smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCS(=O)(=O)NCC(=O)N[C@@H](C)CNCC(=O)NC ZINC001420423870 890439367 /nfs/dbraw/zinc/43/93/67/890439367.db2.gz ZQHAVHKMOQTRSI-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)c1ncn(C)n1 ZINC001420411903 890439118 /nfs/dbraw/zinc/43/91/18/890439118.db2.gz CZSNGIMDZSWJLS-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001420444061 890441885 /nfs/dbraw/zinc/44/18/85/890441885.db2.gz DDJMUNYUGBYLOE-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC ZINC001420516763 890447233 /nfs/dbraw/zinc/44/72/33/890447233.db2.gz KZMACLPLKSFFAH-DTWKUNHWSA-N 0 3 293.389 -1.350 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CN(C)CCO ZINC001420563097 890449175 /nfs/dbraw/zinc/44/91/75/890449175.db2.gz AIWCSANONHZFHN-NXEZZACHSA-N 0 3 295.405 -1.257 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001420566174 890453475 /nfs/dbraw/zinc/45/34/75/890453475.db2.gz MZKRUOQNAGFOTL-ZJUUUORDSA-N 0 3 299.375 -1.253 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](NC(=O)COC)C1CC1 ZINC001420700901 890458699 /nfs/dbraw/zinc/45/86/99/890458699.db2.gz QKUQOCXNUGWDLS-SECBINFHSA-N 0 3 286.332 -1.427 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001420740332 890461814 /nfs/dbraw/zinc/46/18/14/890461814.db2.gz WNHIOCZBIVEHNR-APPZFPTMSA-N 0 3 286.332 -1.299 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001420720079 890461846 /nfs/dbraw/zinc/46/18/46/890461846.db2.gz YMYIBRXMYACRBG-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001420796243 890464650 /nfs/dbraw/zinc/46/46/50/890464650.db2.gz KCKTVOODJCTPEA-VIFPVBQESA-N 0 3 291.373 -1.609 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001421320127 890494517 /nfs/dbraw/zinc/49/45/17/890494517.db2.gz ODEHGISPJCQNET-VIFPVBQESA-N 0 3 294.377 -2.435 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001421337653 890494628 /nfs/dbraw/zinc/49/46/28/890494628.db2.gz HPJCYLLRLOWVTR-LBPRGKRZSA-N 0 3 273.333 -1.942 20 0 CAADHN COC(=O)Cn1cc(CCN(CCO)CCCO)nn1 ZINC001421522767 890518101 /nfs/dbraw/zinc/51/81/01/890518101.db2.gz VKNJCKPNDQRODQ-UHFFFAOYSA-N 0 3 286.332 -1.330 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@@H]1CCOC1 ZINC001421646088 890524525 /nfs/dbraw/zinc/52/45/25/890524525.db2.gz VVWXKFNNUMTPEJ-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@H]1CCCOC1)C(N)=O ZINC001421645336 890525491 /nfs/dbraw/zinc/52/54/91/890525491.db2.gz SZNMOLWYWBVSMB-GHMZBOCLSA-N 0 3 287.360 -1.303 20 0 CAADHN CCN1CC[C@@H](NCCN(CCO)C(=O)COC)C1=O ZINC001421640638 890525971 /nfs/dbraw/zinc/52/59/71/890525971.db2.gz LKCNVCSXTDJNHY-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@@H]1CCCOC1)C(N)=O ZINC001421645339 890526327 /nfs/dbraw/zinc/52/63/27/890526327.db2.gz SZNMOLWYWBVSMB-WDEREUQCSA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)c1cn(C)nn1 ZINC001421878123 890537856 /nfs/dbraw/zinc/53/78/56/890537856.db2.gz QPOWBHDFHQPRNI-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN CC[C@H](NC[C@H](C)N(C)C(=O)Cn1cnnn1)C(N)=O ZINC001421871632 890540098 /nfs/dbraw/zinc/54/00/98/890540098.db2.gz LSLUYJIRIAYNCZ-IUCAKERBSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001421942344 890543606 /nfs/dbraw/zinc/54/36/06/890543606.db2.gz QUVPVKCQBLSRJE-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001421896652 890540156 /nfs/dbraw/zinc/54/01/56/890540156.db2.gz LLGAVWOIESREMZ-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)NC ZINC001421890040 890540205 /nfs/dbraw/zinc/54/02/05/890540205.db2.gz NYOWSHSDVWHCPC-IUCAKERBSA-N 0 3 287.364 -1.514 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001421885273 890540697 /nfs/dbraw/zinc/54/06/97/890540697.db2.gz JFIASOQAURADTD-SFYZADRCSA-N 0 3 272.305 -1.723 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001421947844 890544660 /nfs/dbraw/zinc/54/46/60/890544660.db2.gz YRLZZJKURGCCOE-IUCAKERBSA-N 0 3 291.373 -1.657 20 0 CAADHN OCC1(CO)CCN(C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC001422048466 890546598 /nfs/dbraw/zinc/54/65/98/890546598.db2.gz KXIUMPSGGIQWPP-AAEUAGOBSA-N 0 3 275.345 -1.435 20 0 CAADHN OCC1(CO)CCN(C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC001422048469 890546770 /nfs/dbraw/zinc/54/67/70/890546770.db2.gz KXIUMPSGGIQWPP-YPMHNXCESA-N 0 3 275.345 -1.435 20 0 CAADHN OCC1(CO)CCN(C[C@H](O)C[C@]2(O)CCOC2)C1 ZINC001422048467 890547317 /nfs/dbraw/zinc/54/73/17/890547317.db2.gz KXIUMPSGGIQWPP-DGCLKSJQSA-N 0 3 275.345 -1.435 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CNC(=O)C1CC1)C(C)C ZINC001422077394 890550552 /nfs/dbraw/zinc/55/05/52/890550552.db2.gz YZPPZNLEDFBTFW-LLVKDONJSA-N 0 3 298.387 -1.011 20 0 CAADHN Cn1ccc(C(=O)NC2(CO)CCN(CCO)CC2)n1 ZINC001422190966 890553371 /nfs/dbraw/zinc/55/33/71/890553371.db2.gz FWGHGLQFOGQIBY-UHFFFAOYSA-N 0 3 282.344 -1.031 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001422268066 890560723 /nfs/dbraw/zinc/56/07/23/890560723.db2.gz BBFLYKRUNNGZAV-HTQZYQBOSA-N 0 3 270.289 -1.463 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccn(C)c1)C(N)=O ZINC001422277469 890565000 /nfs/dbraw/zinc/56/50/00/890565000.db2.gz HPNMJFOMJZKCIZ-WDEREUQCSA-N 0 3 282.344 -1.031 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cscn1 ZINC001422283974 890565504 /nfs/dbraw/zinc/56/55/04/890565504.db2.gz IRHYREQYUBVXLV-YUMQZZPRSA-N 0 3 286.357 -1.042 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001422286841 890565932 /nfs/dbraw/zinc/56/59/32/890565932.db2.gz LJUGQOFOHDGALK-MRVPVSSYSA-N 0 3 295.361 -2.766 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)CC1 ZINC001422332463 890578426 /nfs/dbraw/zinc/57/84/26/890578426.db2.gz PHGWTENPDKPBAX-NSHDSACASA-N 0 3 299.371 -1.288 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cncnc1 ZINC001422302443 890572232 /nfs/dbraw/zinc/57/22/32/890572232.db2.gz TXBJTJOUGJVBCD-SNVBAGLBSA-N 0 3 281.316 -1.707 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001422343547 890581285 /nfs/dbraw/zinc/58/12/85/890581285.db2.gz FFIHVNRFJBIXTC-SFYZADRCSA-N 0 3 287.320 -3.177 20 0 CAADHN Cn1cncc1CCC(=O)NC[C@H](O)CNCC(N)=O ZINC001422410155 890590450 /nfs/dbraw/zinc/59/04/50/890590450.db2.gz XYLYWLPCXIEOPL-SNVBAGLBSA-N 0 3 283.332 -2.095 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001422417692 890590510 /nfs/dbraw/zinc/59/05/10/890590510.db2.gz BJZWJLZOHAUZCI-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CNC(=O)NC ZINC001422445836 890590524 /nfs/dbraw/zinc/59/05/24/890590524.db2.gz GZQJBQGZIBIVNH-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001422535666 890594925 /nfs/dbraw/zinc/59/49/25/890594925.db2.gz DETVFKUZVATBOZ-HTQZYQBOSA-N 0 3 283.332 -1.032 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001422493576 890594949 /nfs/dbraw/zinc/59/49/49/890594949.db2.gz VECDJVBSEPMBSR-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc(=O)n(C)c1 ZINC001422513466 890595696 /nfs/dbraw/zinc/59/56/96/890595696.db2.gz SFNCGZBDBOLMJH-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001422506891 890594582 /nfs/dbraw/zinc/59/45/82/890594582.db2.gz PXWQNACUEFGXDE-UWVGGRQHSA-N 0 3 285.348 -1.128 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001422551966 890599730 /nfs/dbraw/zinc/59/97/30/890599730.db2.gz QDWXUEMMHLABGK-VXNVDRBHSA-N 0 3 283.332 -1.959 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001422506892 890596857 /nfs/dbraw/zinc/59/68/57/890596857.db2.gz PXWQNACUEFGXDE-ZJUUUORDSA-N 0 3 285.348 -1.128 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001422472202 890597275 /nfs/dbraw/zinc/59/72/75/890597275.db2.gz BIQUJAWSXBALGA-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN CC(C)[C@@H](O)C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001422552184 890598626 /nfs/dbraw/zinc/59/86/26/890598626.db2.gz AONMOBVEBQKGPT-VXNVDRBHSA-N 0 3 274.321 -1.708 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCC(=O)N1C ZINC001422595027 890600805 /nfs/dbraw/zinc/60/08/05/890600805.db2.gz FJEQDUFRCKABGM-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)CCNC(N)=O ZINC001422607156 890602840 /nfs/dbraw/zinc/60/28/40/890602840.db2.gz UDAKAEHMAWEWOE-BDAKNGLRSA-N 0 3 285.348 -1.582 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CS(=O)(=O)N(C)C ZINC001422600118 890603768 /nfs/dbraw/zinc/60/37/68/890603768.db2.gz SOPCUENJBMSZMV-SSDOTTSWSA-N 0 3 280.350 -2.543 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CNC(=O)N1CCCC1 ZINC001422642021 890607408 /nfs/dbraw/zinc/60/74/08/890607408.db2.gz DNWKXMOTUVSDRZ-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@@H](C)OC ZINC001422628357 890607462 /nfs/dbraw/zinc/60/74/62/890607462.db2.gz AMIJMIWVYPTELR-XHNCKOQMSA-N 0 3 288.348 -1.040 20 0 CAADHN CNC(=O)NCC(=O)NC1(CNCC(N)=O)CCCCC1 ZINC001422675469 890610597 /nfs/dbraw/zinc/61/05/97/890610597.db2.gz XRVHOBYDEXUGAF-UHFFFAOYSA-N 0 3 299.375 -1.191 20 0 CAADHN C[C@@H](O)CN1CC([C@@H](C)NC(=O)CCNC(N)=O)C1 ZINC001422747757 890612534 /nfs/dbraw/zinc/61/25/34/890612534.db2.gz AMNZJLAGOYWAMM-RKDXNWHRSA-N 0 3 272.349 -1.138 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cnnn1)NCC(=O)N(C)C ZINC001423033220 890624320 /nfs/dbraw/zinc/62/43/20/890624320.db2.gz WWGHHNAFEZBMLD-SECBINFHSA-N 0 3 283.336 -1.802 20 0 CAADHN C[C@H](NC[C@H](NC(=O)CS(C)(=O)=O)C1CC1)C(N)=O ZINC001422977656 890619363 /nfs/dbraw/zinc/61/93/63/890619363.db2.gz VTDAYBVQOULDIV-CBAPKCEASA-N 0 3 291.373 -1.611 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001422998427 890621891 /nfs/dbraw/zinc/62/18/91/890621891.db2.gz JTPIIJOYNKNICY-MRVPVSSYSA-N 0 3 271.321 -2.115 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001423139064 890628903 /nfs/dbraw/zinc/62/89/03/890628903.db2.gz GHTXZCRJSNSJQQ-PSASIEDQSA-N 0 3 272.349 -1.177 20 0 CAADHN O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@H](CO)NCCO ZINC001423241885 890652618 /nfs/dbraw/zinc/65/26/18/890652618.db2.gz IUQUNSKWGUVKPT-VHSXEESVSA-N 0 3 294.373 -2.130 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](NCC(=O)NC)C[C@H]1C ZINC001423342410 890667734 /nfs/dbraw/zinc/66/77/34/890667734.db2.gz RMLCMBFFBCNQLU-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H](C)NC(N)=O ZINC001423457713 890676422 /nfs/dbraw/zinc/67/64/22/890676422.db2.gz XKCMFLUWCWFBBR-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001423463556 890676839 /nfs/dbraw/zinc/67/68/39/890676839.db2.gz QNKUAWVTVYPEKQ-XXFSISAASA-N 0 3 285.344 -1.839 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001423452494 890678197 /nfs/dbraw/zinc/67/81/97/890678197.db2.gz GTJFATJAXNPPKH-IUCAKERBSA-N 0 3 284.316 -1.579 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001423426846 890674604 /nfs/dbraw/zinc/67/46/04/890674604.db2.gz GRIWMPFTURNXRX-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1n[nH]cc1F)C(N)=O ZINC001423477887 890682249 /nfs/dbraw/zinc/68/22/49/890682249.db2.gz VZWDFBLRAPYHOM-NKWVEPMBSA-N 0 3 287.295 -1.555 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001423476648 890679884 /nfs/dbraw/zinc/67/98/84/890679884.db2.gz IBNPUWYAUICXPI-QMMMGPOBSA-N 0 3 285.304 -1.772 20 0 CAADHN CCn1cnc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)c1 ZINC001423476983 890681137 /nfs/dbraw/zinc/68/11/37/890681137.db2.gz HMWPDSAKFHWVKH-VIFPVBQESA-N 0 3 283.332 -1.589 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001423535984 890686395 /nfs/dbraw/zinc/68/63/95/890686395.db2.gz UUDFERBWERGBKL-VIFPVBQESA-N 0 3 271.321 -1.828 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001423796293 890699285 /nfs/dbraw/zinc/69/92/85/890699285.db2.gz XLALBXXPVPYBQC-PTRXPTGYSA-N 0 3 271.317 -2.347 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001424482625 890733779 /nfs/dbraw/zinc/73/37/79/890733779.db2.gz KDNVALHHGKMULM-YUMQZZPRSA-N 0 3 292.361 -2.543 20 0 CAADHN C[C@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1NCC(N)=O ZINC001424470788 890733803 /nfs/dbraw/zinc/73/38/03/890733803.db2.gz FNJBLBNEFYCIPJ-IUCAKERBSA-N 0 3 291.373 -1.657 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001424749800 890740466 /nfs/dbraw/zinc/74/04/66/890740466.db2.gz JNDDPNPGVOMCDQ-IUCAKERBSA-N 0 3 293.389 -1.398 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCn1cnnn1 ZINC001424832717 890746211 /nfs/dbraw/zinc/74/62/11/890746211.db2.gz NVTZLLKGGLMKQA-RKDXNWHRSA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001424796040 890745109 /nfs/dbraw/zinc/74/51/09/890745109.db2.gz XBEBEOKWTGDMLE-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CN(C)C(=O)CCCn1cncn1)NCC(N)=O ZINC001425659802 890791323 /nfs/dbraw/zinc/79/13/23/890791323.db2.gz LMAOUEVGDOYLCW-SNVBAGLBSA-N 0 3 282.348 -1.020 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)NCC(N)=O ZINC001425612900 890791734 /nfs/dbraw/zinc/79/17/34/890791734.db2.gz LHPGTIZBPNMBAA-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN COCCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001425973691 890836783 /nfs/dbraw/zinc/83/67/83/890836783.db2.gz CVGCDCOQJFKYDZ-WDEREUQCSA-N 0 3 289.376 -1.092 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CNC(=O)NC ZINC001426002559 890844840 /nfs/dbraw/zinc/84/48/40/890844840.db2.gz KIVHAQWIMUSQDG-MRVPVSSYSA-N 0 3 289.336 -2.930 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001426015656 890845703 /nfs/dbraw/zinc/84/57/03/890845703.db2.gz OYLDQVMHDPZOSM-SFYZADRCSA-N 0 3 274.321 -2.608 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001426060464 890847077 /nfs/dbraw/zinc/84/70/77/890847077.db2.gz VLNPOWMHHJZQGB-RKDXNWHRSA-N 0 3 283.332 -1.386 20 0 CAADHN COCCN(CCO)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001426154139 890854617 /nfs/dbraw/zinc/85/46/17/890854617.db2.gz HHCZTZYWUSQWNC-GFCCVEGCSA-N 0 3 289.376 -1.626 20 0 CAADHN COCCN(CCNC(=O)c1cnnn1C)C[C@@H](C)O ZINC001426171672 890852852 /nfs/dbraw/zinc/85/28/52/890852852.db2.gz ZXTUQLRXEPSHEP-SNVBAGLBSA-N 0 3 285.348 -1.126 20 0 CAADHN C[C@H](CNC(=O)CNC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001433437001 891029751 /nfs/dbraw/zinc/02/97/51/891029751.db2.gz AAPFYHBZEVASFR-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN CN(CCO)CCN(C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001434227736 891090968 /nfs/dbraw/zinc/09/09/68/891090968.db2.gz NDMUVTLWWNCVJL-IJLUTSLNSA-N 0 3 288.344 -2.218 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001436371088 891150803 /nfs/dbraw/zinc/15/08/03/891150803.db2.gz CEIDKVCTZBPCSH-KYZUINATSA-N 0 3 291.373 -1.739 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)NCC(N)=O ZINC001436659994 891152631 /nfs/dbraw/zinc/15/26/31/891152631.db2.gz MEDDWYATYCNMJW-ONGXEEELSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001494810550 893460472 /nfs/dbraw/zinc/46/04/72/893460472.db2.gz USJCDNBATHHGGK-LLVKDONJSA-N 0 3 257.334 -1.010 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CCn1cnnn1)C1CC1 ZINC001436830049 891156747 /nfs/dbraw/zinc/15/67/47/891156747.db2.gz STFOOKLULYYKHK-VIFPVBQESA-N 0 3 281.320 -1.967 20 0 CAADHN CCN(CCS(C)(=O)=O)S(=O)(=O)N1CCNCC1 ZINC000689194297 883990224 /nfs/dbraw/zinc/99/02/24/883990224.db2.gz DVQQLTRGNUEOMM-UHFFFAOYSA-N 0 3 299.418 -1.497 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001083699026 884033552 /nfs/dbraw/zinc/03/35/52/884033552.db2.gz IAOOIZLYCDIYHZ-MXWKQRLJSA-N 0 3 269.345 -1.060 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001152508205 884064114 /nfs/dbraw/zinc/06/41/14/884064114.db2.gz IJVGGIYNGDUVTN-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CCOCCOCC(=O)NCCN[C@@H]1CCNC1=O ZINC001152501154 884064500 /nfs/dbraw/zinc/06/45/00/884064500.db2.gz FOZIVRQDSUFOPX-SNVBAGLBSA-N 0 3 273.333 -1.366 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cnns1 ZINC001124163413 884053843 /nfs/dbraw/zinc/05/38/43/884053843.db2.gz LLDVKBVSFQMERL-LURJTMIESA-N 0 3 255.303 -1.254 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCN(C)C2=O)nn1 ZINC001126657805 884056631 /nfs/dbraw/zinc/05/66/31/884056631.db2.gz ICILLGFIJMNDSX-MRVPVSSYSA-N 0 3 266.305 -1.635 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1nnc(C)o1 ZINC001126657626 884057360 /nfs/dbraw/zinc/05/73/60/884057360.db2.gz HJGYDTFSNSBDJG-UHFFFAOYSA-N 0 3 255.278 -1.628 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC12CCC2 ZINC001268323386 884091197 /nfs/dbraw/zinc/09/11/97/884091197.db2.gz IGCQSOQAUGXACH-RKDXNWHRSA-N 0 3 255.318 -1.271 20 0 CAADHN CN1CC[C@@H](C(=O)N(CCO)CCNCC(N)=O)C1=O ZINC001279800651 884108986 /nfs/dbraw/zinc/10/89/86/884108986.db2.gz JYRAKHUUPBJMLQ-SECBINFHSA-N 0 3 286.332 -2.640 20 0 CAADHN CS(=O)(=O)NC[C@H]1CCN(C[C@@H](O)CO)C1 ZINC001308060149 884127281 /nfs/dbraw/zinc/12/72/81/884127281.db2.gz QXAJMJGAZKCVAQ-RKDXNWHRSA-N 0 3 252.336 -1.789 20 0 CAADHN CNC(=O)CCCNC1(C(N)=O)CCS(=O)(=O)CC1 ZINC001308020707 884127369 /nfs/dbraw/zinc/12/73/69/884127369.db2.gz XEKOVNRDXBYOBX-UHFFFAOYSA-N 0 3 291.373 -1.465 20 0 CAADHN CN1CCN(CCCOC(=O)NC(N)=O)C[C@H]1CO ZINC001307990943 884128877 /nfs/dbraw/zinc/12/88/77/884128877.db2.gz ZYJAPIGKQMENTB-VIFPVBQESA-N 0 3 274.321 -1.210 20 0 CAADHN C[C@H](O)[C@H](O)CN1CC[C@H](CS(N)(=O)=O)C1 ZINC001308128250 884133273 /nfs/dbraw/zinc/13/32/73/884133273.db2.gz NJYJHDLFIUDXLL-XHNCKOQMSA-N 0 3 252.336 -1.662 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001317223909 884178107 /nfs/dbraw/zinc/17/81/07/884178107.db2.gz GDKRQMZAETVDJN-SFYZADRCSA-N 0 3 258.322 -1.649 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](C)N[C@H](C)C(N)=O)n1 ZINC001317234557 884178831 /nfs/dbraw/zinc/17/88/31/884178831.db2.gz IFQRWMNVXXEDFM-HTQZYQBOSA-N 0 3 268.321 -1.120 20 0 CAADHN C[C@H](CNC(=O)c1cnc[n-]c1=O)[NH2+]CCOCCO ZINC001317247017 884181550 /nfs/dbraw/zinc/18/15/50/884181550.db2.gz JPDWLAHLFWWFFO-SECBINFHSA-N 0 3 284.316 -1.101 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001316984877 884163195 /nfs/dbraw/zinc/16/31/95/884163195.db2.gz FKZAYAGODBAMPD-DTWKUNHWSA-N 0 3 255.318 -1.177 20 0 CAADHN C[C@H](CNC(=O)C1(C(N)=O)CC1)N[C@H](C)C(=O)N(C)C ZINC001317269726 884183258 /nfs/dbraw/zinc/18/32/58/884183258.db2.gz SBFFITAVOGRZSG-RKDXNWHRSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCCN(C)C1=O)NCC(N)=O ZINC001317282300 884185227 /nfs/dbraw/zinc/18/52/27/884185227.db2.gz HRSRXRXLUFXUPG-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001317574491 884219365 /nfs/dbraw/zinc/21/93/65/884219365.db2.gz SFEWQEBIXONLPF-DTWKUNHWSA-N 0 3 268.317 -1.799 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001317594743 884221613 /nfs/dbraw/zinc/22/16/13/884221613.db2.gz WNJNNKAIPGLFKE-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CCn1ccnc1 ZINC001317617266 884227744 /nfs/dbraw/zinc/22/77/44/884227744.db2.gz SQQRKLTZWKNMRK-UHFFFAOYSA-N 0 3 253.306 -1.194 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001318127718 884255080 /nfs/dbraw/zinc/25/50/80/884255080.db2.gz AMMBACLEZVSTJB-APPZFPTMSA-N 0 3 284.316 -1.987 20 0 CAADHN O=C(N[C@H]1CCN(CCOCCO)C1)c1nnc[nH]1 ZINC001318291464 884266095 /nfs/dbraw/zinc/26/60/95/884266095.db2.gz NXJZLVVJNIBJPH-VIFPVBQESA-N 0 3 269.305 -1.382 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001318347386 884270920 /nfs/dbraw/zinc/27/09/20/884270920.db2.gz YIENVSKSCXXCID-GMTAPVOTSA-N 0 3 285.344 -1.680 20 0 CAADHN CC[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H](C)C(N)=O ZINC001318593835 884289018 /nfs/dbraw/zinc/28/90/18/884289018.db2.gz CHRKZQAEELTLRU-YUMQZZPRSA-N 0 3 268.321 -1.295 20 0 CAADHN CC[C@@H](CNC(=O)Cc1nonc1C)NCC(N)=O ZINC001318590858 884289607 /nfs/dbraw/zinc/28/96/07/884289607.db2.gz JPBWQDSBUMPJQZ-QMMMGPOBSA-N 0 3 269.305 -1.110 20 0 CAADHN CC[C@@H](CNC(=O)C(=O)NCC1CC1)N[C@@H](C)C(N)=O ZINC001318592108 884287658 /nfs/dbraw/zinc/28/76/58/884287658.db2.gz SFLTVRKUKGAAAR-WPRPVWTQSA-N 0 3 284.360 -1.129 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001319101862 884306267 /nfs/dbraw/zinc/30/62/67/884306267.db2.gz HLVDKFZSTFLXLI-SFYZADRCSA-N 0 3 269.305 -2.266 20 0 CAADHN C[C@H](CNCC(=O)N1CCCCC1)N(C)C(=O)C(N)=O ZINC001319524612 884334184 /nfs/dbraw/zinc/33/41/84/884334184.db2.gz HHYFYBTYYIKLTJ-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001319547266 884338031 /nfs/dbraw/zinc/33/80/31/884338031.db2.gz QICKESDCKQVATF-JGVFFNPUSA-N 0 3 268.321 -1.261 20 0 CAADHN CCn1cc(C(=O)N(C)[C@H](C)CNCC(N)=O)nn1 ZINC001319553287 884338745 /nfs/dbraw/zinc/33/87/45/884338745.db2.gz UFTXAYFGVPSEKB-MRVPVSSYSA-N 0 3 268.321 -1.167 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001319419253 884328415 /nfs/dbraw/zinc/32/84/15/884328415.db2.gz QPNNETZEDLDRIA-YUMQZZPRSA-N 0 3 258.322 -1.567 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(N)=O)NCc1nc(=O)n(C)[nH]1 ZINC001319942596 884362420 /nfs/dbraw/zinc/36/24/20/884362420.db2.gz FAVQQMSNGGOCFP-SSDOTTSWSA-N 0 3 284.320 -2.176 20 0 CAADHN CN(CCOCCO)CCN(C)C(=O)c1cn(C)nn1 ZINC001319994833 884366978 /nfs/dbraw/zinc/36/69/78/884366978.db2.gz NSYUFCYQFATZEG-UHFFFAOYSA-N 0 3 285.348 -1.172 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)o1 ZINC001320185460 884379210 /nfs/dbraw/zinc/37/92/10/884379210.db2.gz HDFTYPUXVKMHPC-QMMMGPOBSA-N 0 3 255.274 -1.246 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)[nH]n1 ZINC001320200057 884385157 /nfs/dbraw/zinc/38/51/57/884385157.db2.gz DQTVIBFIEVPFPP-YUMQZZPRSA-N 0 3 269.305 -1.728 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ncc[nH]1)C(N)=O ZINC001320216129 884389750 /nfs/dbraw/zinc/38/97/50/884389750.db2.gz IUZUPWSSYYHCAG-YUMQZZPRSA-N 0 3 269.305 -1.646 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ncc[nH]1)C(N)=O ZINC001320216124 884389775 /nfs/dbraw/zinc/38/97/75/884389775.db2.gz IUZUPWSSYYHCAG-JGVFFNPUSA-N 0 3 269.305 -1.646 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1ccoc1 ZINC001320216073 884390018 /nfs/dbraw/zinc/39/00/18/884390018.db2.gz WFEYJWSFGHQGTL-JTQLQIEISA-N 0 3 269.301 -1.365 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@H](O)CNCCF)CC1=O ZINC001320227404 884393761 /nfs/dbraw/zinc/39/37/61/884393761.db2.gz QCKPNEKJXBRHSB-DTWKUNHWSA-N 0 3 261.297 -1.499 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](O)CNC/C=C/Cl ZINC001320227229 884396425 /nfs/dbraw/zinc/39/64/25/884396425.db2.gz MXRGYOSOBXTBPE-UFUPEUMYSA-N 0 3 278.740 -1.265 20 0 CAADHN C[C@H](C(=O)NC[C@@H](O)CNCCF)N1C(=O)CCC1=O ZINC001320227006 884396457 /nfs/dbraw/zinc/39/64/57/884396457.db2.gz JQVIDWXNVIECPY-BDAKNGLRSA-N 0 3 289.307 -1.440 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NC[C@H](O)CNCCF ZINC001320285241 884408133 /nfs/dbraw/zinc/40/81/33/884408133.db2.gz BAWBACNFAJUNBD-DTWKUNHWSA-N 0 3 261.297 -1.309 20 0 CAADHN NC(=O)C(=O)NC[C@@H](O)CNCC(=O)N1CCCC1 ZINC001320272606 884408143 /nfs/dbraw/zinc/40/81/43/884408143.db2.gz XNLVSUXMAYBZMN-QMMMGPOBSA-N 0 3 272.305 -2.839 20 0 CAADHN Cn1cc(CN2C[C@H](O)C[C@H]2CO)c(=O)n(C)c1=O ZINC001320718504 884443421 /nfs/dbraw/zinc/44/34/21/884443421.db2.gz UHDUTJIRNHDCGF-VHSXEESVSA-N 0 3 269.301 -1.989 20 0 CAADHN CCN(CCNCCF)C(=O)Cn1ncn(C)c1=O ZINC001320780377 884446219 /nfs/dbraw/zinc/44/62/19/884446219.db2.gz OTIJFEQDSVUOMV-UHFFFAOYSA-N 0 3 273.312 -1.011 20 0 CAADHN CO[C@@H](C)C(=O)N[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001321468681 884497245 /nfs/dbraw/zinc/49/72/45/884497245.db2.gz FFFLGCRMQWORLE-VGMNWLOBSA-N 0 3 271.317 -1.079 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCn1cccn1 ZINC001321464845 884497566 /nfs/dbraw/zinc/49/75/66/884497566.db2.gz WSIHLKTZRAZEOG-SECBINFHSA-N 0 3 253.306 -1.147 20 0 CAADHN CCN(CC)C(=O)[C@H](C)NC[C@H](C)NC(=O)C(N)=O ZINC001321968105 884529051 /nfs/dbraw/zinc/52/90/51/884529051.db2.gz FCDSXBSRAMOMEF-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@H](CN(C)[C@@H]1CCNC1=O)NC(=O)c1cn[nH]n1 ZINC001322192247 884542124 /nfs/dbraw/zinc/54/21/24/884542124.db2.gz GGTUVEVCRBDLTR-VXNVDRBHSA-N 0 3 266.305 -1.257 20 0 CAADHN CN(CCNC(=O)C(=O)N[C@H]1CC(=O)N(C)C1)C1CC1 ZINC001322649709 884565804 /nfs/dbraw/zinc/56/58/04/884565804.db2.gz KPIXVJUMVANPJC-VIFPVBQESA-N 0 3 282.344 -1.456 20 0 CAADHN Cn1nncc1CNC[C@H](NC(=O)CC(N)=O)C1CC1 ZINC001322976423 884590636 /nfs/dbraw/zinc/59/06/36/884590636.db2.gz QEWCDQVTHOCGLS-JTQLQIEISA-N 0 3 280.332 -1.325 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001323635764 884628608 /nfs/dbraw/zinc/62/86/08/884628608.db2.gz UBHBLPWLUKJVCJ-RQJHMYQMSA-N 0 3 258.278 -2.377 20 0 CAADHN CO[C@]1(CNC(=O)C(=O)N(C)CCN(C)C)CCOC1 ZINC001324454247 884672118 /nfs/dbraw/zinc/67/21/18/884672118.db2.gz DABTZARWYGEDGY-ZDUSSCGKSA-N 0 3 287.360 -1.072 20 0 CAADHN C[C@]1(C[NH2+]CC(N)=O)CCN(C(=O)c2nc[n-]n2)C1 ZINC001324804635 884691232 /nfs/dbraw/zinc/69/12/32/884691232.db2.gz SGZVAXCGRQVEIR-LLVKDONJSA-N 0 3 266.305 -1.268 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001325271639 884724630 /nfs/dbraw/zinc/72/46/30/884724630.db2.gz USLXVQRUESACAT-QWRGUYRKSA-N 0 3 255.318 -1.210 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1cc[nH]n1 ZINC001325984983 884756075 /nfs/dbraw/zinc/75/60/75/884756075.db2.gz ZTCIHCDVQDDHKJ-UHFFFAOYSA-N 0 3 283.332 -1.478 20 0 CAADHN O=C(C[C@H]1CNCCO1)NCCCN1C(=O)CNC1=O ZINC001326014164 884758446 /nfs/dbraw/zinc/75/84/46/884758446.db2.gz UWBCHGYFBPZZJZ-VIFPVBQESA-N 0 3 284.316 -1.577 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H]1C[C@@H](C)CO1 ZINC001326061793 884763190 /nfs/dbraw/zinc/76/31/90/884763190.db2.gz GCKRBFKUXYWKPW-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN Cc1cnn(C)c1C(=O)N(CCO)CCNCC(N)=O ZINC001326073840 884767592 /nfs/dbraw/zinc/76/75/92/884767592.db2.gz OJMWAUYDEYSVQA-UHFFFAOYSA-N 0 3 283.332 -1.762 20 0 CAADHN COCc1noc(CN2CCN(C(=O)CN)CC2)n1 ZINC001326316357 884784349 /nfs/dbraw/zinc/78/43/49/884784349.db2.gz FTBGRCVQRPBGPJ-UHFFFAOYSA-N 0 3 269.305 -1.181 20 0 CAADHN CN(C)S(=O)(=O)CCNCCC(=O)NC(N)=O ZINC001326597584 884811201 /nfs/dbraw/zinc/81/12/01/884811201.db2.gz VGPWORNYUBGZKO-UHFFFAOYSA-N 0 3 266.323 -1.948 20 0 CAADHN O=C1CO[C@@H]2CCN(CCc3c[nH]nn3)C[C@H]2N1 ZINC001327574998 884904730 /nfs/dbraw/zinc/90/47/30/884904730.db2.gz SLCNGVOVKBFKOW-NXEZZACHSA-N 0 3 251.290 -1.064 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001327845828 884933031 /nfs/dbraw/zinc/93/30/31/884933031.db2.gz HARPIVBCDIKQCF-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](CNC(=O)C(=O)N[C@@H](CN)C1CC1)S(C)(=O)=O ZINC001327840732 884933065 /nfs/dbraw/zinc/93/30/65/884933065.db2.gz IUIVYBNEYNKGPN-APPZFPTMSA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@@]1(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC[NH2+]C1 ZINC001327945448 884941568 /nfs/dbraw/zinc/94/15/68/884941568.db2.gz LPCXJHDDQHUGNB-SNVBAGLBSA-N 0 3 253.262 -1.048 20 0 CAADHN NC(=O)NC(=O)CCNCCS(=O)(=O)C1CC1 ZINC001329140513 885067913 /nfs/dbraw/zinc/06/79/13/885067913.db2.gz GFMDDJLRMILELQ-UHFFFAOYSA-N 0 3 263.319 -1.262 20 0 CAADHN CNS(=O)(=O)CCCN[C@@H](C)CS(C)(=O)=O ZINC001329375820 885094210 /nfs/dbraw/zinc/09/42/10/885094210.db2.gz PLGYOONGOPVVNG-QMMMGPOBSA-N 0 3 272.392 -1.052 20 0 CAADHN CS(=O)(=O)[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC001329756762 885139008 /nfs/dbraw/zinc/13/90/08/885139008.db2.gz ZEFULUAQHFKILY-YFKPBYRVSA-N 0 3 258.307 -1.341 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001329924755 885156756 /nfs/dbraw/zinc/15/67/56/885156756.db2.gz LSFWEPKJERSBLD-KXUCPTDWSA-N 0 3 255.318 -1.225 20 0 CAADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CSCN2)n1 ZINC001329946617 885159773 /nfs/dbraw/zinc/15/97/73/885159773.db2.gz WBTHSIRFZMACKL-SSDOTTSWSA-N 0 3 269.330 -1.080 20 0 CAADHN COCCN1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001329999402 885161422 /nfs/dbraw/zinc/16/14/22/885161422.db2.gz XVTZZYJKFWQQRF-VIFPVBQESA-N 0 3 268.321 -1.244 20 0 CAADHN C[C@@H](NC(=O)Cn1ncnn1)C1CN(CCCO)C1 ZINC001329998388 885163462 /nfs/dbraw/zinc/16/34/62/885163462.db2.gz SSFGTZQICUTQLP-SECBINFHSA-N 0 3 268.321 -1.508 20 0 CAADHN COCCOC[C@H](O)CN1CC[C@](O)(C(=O)OC)C1 ZINC001330732754 885222166 /nfs/dbraw/zinc/22/21/66/885222166.db2.gz NXJPQPSADVLELD-ZYHUDNBSSA-N 0 3 277.317 -1.380 20 0 CAADHN COCCOC[C@@H](O)CN1CC[C@](O)(C(=O)OC)C1 ZINC001330732738 885222777 /nfs/dbraw/zinc/22/27/77/885222777.db2.gz NXJPQPSADVLELD-CMPLNLGQSA-N 0 3 277.317 -1.380 20 0 CAADHN CCN1CCN(C[C@H](C)CNC(=O)C(N)=O)CC1 ZINC001330855136 885233727 /nfs/dbraw/zinc/23/37/27/885233727.db2.gz YGHQZJGXVUJPOL-SNVBAGLBSA-N 0 3 256.350 -1.139 20 0 CAADHN CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)C(N)=O)CC1 ZINC001331039514 885249462 /nfs/dbraw/zinc/24/94/62/885249462.db2.gz RFIBUBAPCTXLNA-MRVPVSSYSA-N 0 3 270.333 -1.471 20 0 CAADHN O=C([C@H]1CC(=O)N1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001331571765 885289218 /nfs/dbraw/zinc/28/92/18/885289218.db2.gz GFUGETDLRSVMQE-IVZWLZJFSA-N 0 3 253.302 -1.458 20 0 CAADHN CCC(=O)NC[C@H](CO)NCCN1C(=O)CCC1=O ZINC001331661320 885299152 /nfs/dbraw/zinc/29/91/52/885299152.db2.gz AALQPGASHBWOMD-SECBINFHSA-N 0 3 271.317 -1.388 20 0 CAADHN CCC(=O)NC[C@@H](CO)NCCN1C(=O)CNC1=O ZINC001331666470 885303397 /nfs/dbraw/zinc/30/33/97/885303397.db2.gz RJAGHINWMMVBAS-QMMMGPOBSA-N 0 3 272.305 -1.985 20 0 CAADHN COCCN[C@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001331685983 885311864 /nfs/dbraw/zinc/31/18/64/885311864.db2.gz UHNRWSPAFCAINZ-JTQLQIEISA-N 0 3 256.306 -1.335 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)c1cnn(C)c1N ZINC001331709892 885317356 /nfs/dbraw/zinc/31/73/56/885317356.db2.gz YTXSHFDMVWKEKC-VIFPVBQESA-N 0 3 285.348 -1.281 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cnn(C)c1N ZINC001331709135 885319725 /nfs/dbraw/zinc/31/97/25/885319725.db2.gz VUEFLAPCESDZIN-QMMMGPOBSA-N 0 3 271.321 -1.671 20 0 CAADHN COCCN[C@H](CO)CNC(=O)CN(C)C(C)=O ZINC001331686727 885308320 /nfs/dbraw/zinc/30/83/20/885308320.db2.gz XFVYPTTWJDBMDW-JTQLQIEISA-N 0 3 261.322 -1.822 20 0 CAADHN COCCN[C@H](CO)CNC(=O)CN1C(=O)CNC1=O ZINC001331818701 885350357 /nfs/dbraw/zinc/35/03/57/885350357.db2.gz ITVRDSPXIYUCIF-QMMMGPOBSA-N 0 3 288.304 -2.749 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1ccncn1 ZINC001331806470 885352974 /nfs/dbraw/zinc/35/29/74/885352974.db2.gz VZQYNBOCZMYQQW-SECBINFHSA-N 0 3 254.290 -1.197 20 0 CAADHN CC[C@@H](N)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC001332156205 885386888 /nfs/dbraw/zinc/38/68/88/885386888.db2.gz JFQZNZMKGMELHN-SECBINFHSA-N 0 3 290.345 -1.053 20 0 CAADHN C[C@H](O)CN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC001332446167 885410793 /nfs/dbraw/zinc/41/07/93/885410793.db2.gz HBRVAPIIUZUWCU-JTQLQIEISA-N 0 3 272.349 -2.153 20 0 CAADHN CCN(CC)C(=O)C(=O)N1CCNCCNCC1 ZINC001332433591 885410902 /nfs/dbraw/zinc/41/09/02/885410902.db2.gz HKWUZFRFPHEQPR-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@H]1CCC(=O)NC1=O ZINC001332470397 885411198 /nfs/dbraw/zinc/41/11/98/885411198.db2.gz JKNAQGHCHPJGIB-BDAKNGLRSA-N 0 3 287.316 -2.153 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccc(F)nc1 ZINC001332490935 885415468 /nfs/dbraw/zinc/41/54/68/885415468.db2.gz ZOOUCOBFZFAORO-SECBINFHSA-N 0 3 284.291 -1.272 20 0 CAADHN COCCNCC(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001332518182 885416059 /nfs/dbraw/zinc/41/60/59/885416059.db2.gz WRTDQVVJKGSGHQ-JTQLQIEISA-N 0 3 272.349 -1.712 20 0 CAADHN O[C@H](CN1C[C@H](O)C[C@H](O)C1)C1(O)CCOCC1 ZINC001332651083 885430470 /nfs/dbraw/zinc/43/04/70/885430470.db2.gz UDUIXJAOZIKSQY-OUAUKWLOSA-N 0 3 261.318 -1.684 20 0 CAADHN CN1CCN(CCCC(=O)NC(N)=O)[C@@H](CO)C1 ZINC001333036789 885454574 /nfs/dbraw/zinc/45/45/74/885454574.db2.gz BZAFEDRTQOJFFE-SECBINFHSA-N 0 3 258.322 -1.430 20 0 CAADHN CO[C@@H]1CN(C[C@H](O)C[C@]2(O)CCOC2)C[C@H]1O ZINC001333101905 885456498 /nfs/dbraw/zinc/45/64/98/885456498.db2.gz XPCYKCROYWDUPH-DDHJBXDOSA-N 0 3 261.318 -1.420 20 0 CAADHN COCC[C@H](N)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001333183456 885463936 /nfs/dbraw/zinc/46/39/36/885463936.db2.gz FHHKORNWWLGSSP-YIZRAAEISA-N 0 3 269.301 -1.577 20 0 CAADHN O=C(CCn1cnnn1)N[C@H](CO)CN1CCCC1 ZINC001333284662 885467161 /nfs/dbraw/zinc/46/71/61/885467161.db2.gz JXIWXGIVYDMWBS-JTQLQIEISA-N 0 3 268.321 -1.364 20 0 CAADHN Cc1nc(C(=O)NCCN(C)CCOCCO)n(C)n1 ZINC001333149769 885460457 /nfs/dbraw/zinc/46/04/57/885460457.db2.gz SUOHZUJXVBVQBW-UHFFFAOYSA-N 0 3 285.348 -1.206 20 0 CAADHN CC(C)[C@H](C(=O)NCCS(N)(=O)=O)N(C)C ZINC001334787768 885563644 /nfs/dbraw/zinc/56/36/44/885563644.db2.gz PZHMZAPIHBNJQM-MRVPVSSYSA-N 0 3 251.352 -1.023 20 0 CAADHN COC(=O)[C@H]1CN(C[C@H](O)CO)C[C@H]1C(=O)OC ZINC001334727410 885560379 /nfs/dbraw/zinc/56/03/79/885560379.db2.gz ACNYYEZZKZZNCO-XHNCKOQMSA-N 0 3 261.274 -1.766 20 0 CAADHN C[C@H]1COC[C@@H]1NCCS(=O)(=O)CCC(N)=O ZINC001335128521 885584657 /nfs/dbraw/zinc/58/46/57/885584657.db2.gz OPGXOVNBNLPLKT-IUCAKERBSA-N 0 3 264.347 -1.099 20 0 CAADHN CN1C(=O)CC[C@@H](NC[C@H](O)C2(O)CCOCC2)C1=O ZINC001335303989 885610096 /nfs/dbraw/zinc/61/00/96/885610096.db2.gz MHCHXNJZSYBNEA-ZJUUUORDSA-N 0 3 286.328 -1.374 20 0 CAADHN CN1C(=O)CC[C@H](NC[C@H](O)C2(O)CCOCC2)C1=O ZINC001335303986 885610641 /nfs/dbraw/zinc/61/06/41/885610641.db2.gz MHCHXNJZSYBNEA-UWVGGRQHSA-N 0 3 286.328 -1.374 20 0 CAADHN O=S1(=O)C[C@H]2CN(C[C@H]3CNCCO3)C[C@H]2C1 ZINC001336092800 885646118 /nfs/dbraw/zinc/64/61/18/885646118.db2.gz BVTQHTKRRQQQFF-OUAUKWLOSA-N 0 3 260.359 -1.049 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@@H](O)C1(O)CCOCC1 ZINC001336304377 885656062 /nfs/dbraw/zinc/65/60/62/885656062.db2.gz WIIPGXLIVPSAAH-SNVBAGLBSA-N 0 3 296.389 -1.630 20 0 CAADHN O=C(CNC[C@@H](O)C[C@]1(O)CCOC1)NC1CC1 ZINC001336727778 885682172 /nfs/dbraw/zinc/68/21/72/885682172.db2.gz PEOYPTAUYCWTSS-CMPLNLGQSA-N 0 3 258.318 -1.243 20 0 CAADHN CO[C@@H]1COC[C@H]1NC[C@H](O)C[C@@]1(O)CCOC1 ZINC001336737909 885682488 /nfs/dbraw/zinc/68/24/88/885682488.db2.gz RQISZEOBGDUCNV-KKOKHZNYSA-N 0 3 261.318 -1.108 20 0 CAADHN C[C@H](CS(C)(=O)=O)NC(=O)N1CCNCCNCC1 ZINC001336812698 885684275 /nfs/dbraw/zinc/68/42/75/885684275.db2.gz FVCIJUXANOVDAQ-SNVBAGLBSA-N 0 3 292.405 -1.376 20 0 CAADHN C[C@@H](CN(C)C(=O)CN(C)C1CCC1)NC(=O)C(N)=O ZINC001337245551 885694428 /nfs/dbraw/zinc/69/44/28/885694428.db2.gz LFMJKUUNRGUHDL-VIFPVBQESA-N 0 3 284.360 -1.081 20 0 CAADHN CC(C)[C@H]1C(=O)NCCN1C(=O)[C@@H]1CNCCN1C ZINC001339921610 885783947 /nfs/dbraw/zinc/78/39/47/885783947.db2.gz YFZRSMXTZMKPEJ-QWRGUYRKSA-N 0 3 268.361 -1.127 20 0 CAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CC(N)=O ZINC001339396587 885771335 /nfs/dbraw/zinc/77/13/35/885771335.db2.gz MEAJIQDELGYEQV-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN COC(=O)[C@H](NC(=O)[C@H]1CNCCN1C)C1CC1 ZINC001339968475 885784940 /nfs/dbraw/zinc/78/49/40/885784940.db2.gz HTBGCWYYWDHLNS-NXEZZACHSA-N 0 3 255.318 -1.042 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CCCNC2=O)C1=O ZINC001339981098 885785737 /nfs/dbraw/zinc/78/57/37/885785737.db2.gz PDUDNUAYLWXLAG-IUCAKERBSA-N 0 3 268.317 -1.005 20 0 CAADHN O=C(NCCCn1ccnc1)C1CNCCS1(=O)=O ZINC001340013924 885787105 /nfs/dbraw/zinc/78/71/05/885787105.db2.gz YUBVMYLFQQKJSL-JTQLQIEISA-N 0 3 286.357 -1.224 20 0 CAADHN CN1C(=S)N=NC1CNC(=O)[C@@H]1CNCCN1C ZINC001340047715 885787355 /nfs/dbraw/zinc/78/73/55/885787355.db2.gz SYLYSHWKEUXOME-ZETCQYMHSA-N 0 3 270.362 -1.376 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@@H]2CNCCO2)C1=O ZINC001340332969 885802211 /nfs/dbraw/zinc/80/22/11/885802211.db2.gz IBOJTORZYDDZGN-IUCAKERBSA-N 0 3 257.290 -2.052 20 0 CAADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@@H]2CNCCN2C)C1 ZINC001340769467 885813213 /nfs/dbraw/zinc/81/32/13/885813213.db2.gz YLGSMSFSWCLHJQ-AEJSXWLSSA-N 0 3 255.318 -1.042 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001340739535 885813403 /nfs/dbraw/zinc/81/34/03/885813403.db2.gz VDFLZBBCTKZFBD-RKDXNWHRSA-N 0 3 253.302 -1.146 20 0 CAADHN CN1CCN(C)CCN(C(=O)[C@H]2CNCCO2)CC1 ZINC001341512134 885842013 /nfs/dbraw/zinc/84/20/13/885842013.db2.gz ROQYBOQCVFARLN-GFCCVEGCSA-N 0 3 270.377 -1.319 20 0 CAADHN CC[C@@H](N)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001341260414 885830396 /nfs/dbraw/zinc/83/03/96/885830396.db2.gz KVOMQHDGFKGECW-HTQZYQBOSA-N 0 3 262.335 -1.916 20 0 CAADHN COC(=O)CC[C@@H](N)C(=O)N(C)CC(=O)N(C)C ZINC001341328873 885834467 /nfs/dbraw/zinc/83/44/67/885834467.db2.gz ZQQISPCGGXIVGV-MRVPVSSYSA-N 0 3 259.306 -1.187 20 0 CAADHN COCCNCC(=O)N1CCN2CCOC[C@H]2C1 ZINC001341627061 885847995 /nfs/dbraw/zinc/84/79/95/885847995.db2.gz MLAMPTXBFHPDRG-LLVKDONJSA-N 0 3 257.334 -1.235 20 0 CAADHN C[C@H](CNC(=O)C1CNCCS1(=O)=O)N(C)C ZINC001341568944 885844816 /nfs/dbraw/zinc/84/48/16/885844816.db2.gz FPWDQGJWKWTHIB-BDAKNGLRSA-N 0 3 263.363 -1.561 20 0 CAADHN C[C@@H](CNC(=O)C1CNCCS1(=O)=O)N(C)C ZINC001341568946 885846465 /nfs/dbraw/zinc/84/64/65/885846465.db2.gz FPWDQGJWKWTHIB-IUCAKERBSA-N 0 3 263.363 -1.561 20 0 CAADHN O=C(CN1CCCC1=O)N[C@@H]1COC2(CNC2)C1 ZINC001342125747 885870747 /nfs/dbraw/zinc/87/07/47/885870747.db2.gz MPEKGCWJKIMCPO-VIFPVBQESA-N 0 3 253.302 -1.144 20 0 CAADHN CCn1ncc(CNC(=O)[C@H]2CNCCN2C)n1 ZINC001342200036 885875811 /nfs/dbraw/zinc/87/58/11/885875811.db2.gz UIHHPDFRGUZJHM-SNVBAGLBSA-N 0 3 252.322 -1.182 20 0 CAADHN O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1CCCNC1=O ZINC001342215541 885877304 /nfs/dbraw/zinc/87/73/04/885877304.db2.gz MDBZQCZWQQUIJV-IUCAKERBSA-N 0 3 253.302 -1.240 20 0 CAADHN COC[C@@H]1CNCCN1C(=O)C[C@H]1COCCN1 ZINC001342293985 885880507 /nfs/dbraw/zinc/88/05/07/885880507.db2.gz GOMYIBAXDPBYHN-QWRGUYRKSA-N 0 3 257.334 -1.188 20 0 CAADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccnn1C ZINC001342734103 885897696 /nfs/dbraw/zinc/89/76/96/885897696.db2.gz RPFSOAJZJCJKRG-UHFFFAOYSA-N 0 3 283.332 -1.211 20 0 CAADHN O=C(N[C@H]1COC2(CNC2)C1)[C@H]1CCNC(=O)C1 ZINC001344000002 885930399 /nfs/dbraw/zinc/93/03/99/885930399.db2.gz NFFYTBPGFSVZGQ-DTWKUNHWSA-N 0 3 253.302 -1.240 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N1CCNCCNCC1 ZINC001344974501 885950812 /nfs/dbraw/zinc/95/08/12/885950812.db2.gz QNAGEIIOEPSJMZ-UHFFFAOYSA-N 0 3 277.390 -1.169 20 0 CAADHN COCCNCC(=O)NCCCc1nnnn1C ZINC001345491639 885961954 /nfs/dbraw/zinc/96/19/54/885961954.db2.gz WKBJRWBHRUUSPR-UHFFFAOYSA-N 0 3 256.310 -1.505 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC001345712270 885966113 /nfs/dbraw/zinc/96/61/13/885966113.db2.gz QZXFVOFYROSZFK-VIFPVBQESA-N 0 3 298.343 -1.730 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC001345712269 885966141 /nfs/dbraw/zinc/96/61/41/885966141.db2.gz QZXFVOFYROSZFK-SECBINFHSA-N 0 3 298.343 -1.730 20 0 CAADHN CN1C(=O)CC[C@H](NCCC(=O)NC(N)=O)C1=O ZINC001345616469 885967319 /nfs/dbraw/zinc/96/73/19/885967319.db2.gz CGTCBUWPMLYHOB-LURJTMIESA-N 0 3 256.262 -1.692 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)CCO1 ZINC001345762407 885968477 /nfs/dbraw/zinc/96/84/77/885968477.db2.gz JEWSUOVHAGPROB-BDAKNGLRSA-N 0 3 257.290 -1.922 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)C[C@@H]2CNCCO2)CCO1 ZINC001345762413 885970298 /nfs/dbraw/zinc/97/02/98/885970298.db2.gz JEWSUOVHAGPROB-RKDXNWHRSA-N 0 3 257.290 -1.922 20 0 CAADHN COCCN(CCN(C)C)C(=O)Cn1ncnn1 ZINC001346450402 886004659 /nfs/dbraw/zinc/00/46/59/886004659.db2.gz PAVYMWYWHVPPDA-UHFFFAOYSA-N 0 3 256.310 -1.290 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cnn(CCO)c1 ZINC001347065436 886027179 /nfs/dbraw/zinc/02/71/79/886027179.db2.gz GHWQZAZAEBMXNE-JTQLQIEISA-N 0 3 256.306 -1.472 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001347177504 886032377 /nfs/dbraw/zinc/03/23/77/886032377.db2.gz FGSZNAIVBVXNJG-VHSXEESVSA-N 0 3 255.318 -1.034 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1ccoc1CC(N)=O ZINC001347783859 886052502 /nfs/dbraw/zinc/05/25/02/886052502.db2.gz FNACJGFRVLMAAR-MRVPVSSYSA-N 0 3 269.301 -1.040 20 0 CAADHN CN(C)CCONC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001347795205 886055505 /nfs/dbraw/zinc/05/55/05/886055505.db2.gz JRCOUDREMZYHHW-OPRDCNLKSA-N 0 3 260.290 -1.991 20 0 CAADHN C[C@H]1CN2CCN1C[C@H]2C(=O)NCc1nc[nH]n1 ZINC001348570859 886092919 /nfs/dbraw/zinc/09/29/19/886092919.db2.gz SKSNVCMGAARJIX-IUCAKERBSA-N 0 3 250.306 -1.191 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)[C@H](C)CN1 ZINC001349403161 886124408 /nfs/dbraw/zinc/12/44/08/886124408.db2.gz JRCIQXGABHBSCU-HTQZYQBOSA-N 0 3 266.305 -1.414 20 0 CAADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC001349403163 886125980 /nfs/dbraw/zinc/12/59/80/886125980.db2.gz JRCIQXGABHBSCU-JGVFFNPUSA-N 0 3 266.305 -1.414 20 0 CAADHN CN1CCC(N(CCO)C(=O)Cn2ncnn2)CC1 ZINC001350054244 886157370 /nfs/dbraw/zinc/15/73/70/886157370.db2.gz SBFLHSZORSQHFK-UHFFFAOYSA-N 0 3 268.321 -1.412 20 0 CAADHN CN(CCNC(=O)C(=O)Nc1cn(C)nn1)C1CC1 ZINC001350101053 886161156 /nfs/dbraw/zinc/16/11/56/886161156.db2.gz XGZQFHJFHKKKHL-UHFFFAOYSA-N 0 3 266.305 -1.036 20 0 CAADHN CN1CCN(CCCNC(=O)CCn2cnnn2)CC1 ZINC001350693622 886179898 /nfs/dbraw/zinc/17/98/98/886179898.db2.gz OYFLXXOTAVLSLF-UHFFFAOYSA-N 0 3 281.364 -1.183 20 0 CAADHN O=C1NCC2(CCOCC2)[C@H]1NCCn1cnnn1 ZINC001351669720 886223571 /nfs/dbraw/zinc/22/35/71/886223571.db2.gz NSVMYNHGVZRWLT-VIFPVBQESA-N 0 3 266.305 -1.442 20 0 CAADHN O=C1NCC2(CCOCC2)[C@@H]1NCCn1cnnn1 ZINC001351669719 886224399 /nfs/dbraw/zinc/22/43/99/886224399.db2.gz NSVMYNHGVZRWLT-SECBINFHSA-N 0 3 266.305 -1.442 20 0 CAADHN O=C(NC/C=C/Cl)C(=O)NC[C@H]1CNCCO1 ZINC001353148733 886265116 /nfs/dbraw/zinc/26/51/16/886265116.db2.gz HTKJYMMWFWXIOI-FHKCNRDCSA-N 0 3 261.709 -1.040 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC001353343282 886275502 /nfs/dbraw/zinc/27/55/02/886275502.db2.gz UXFITPAQWQDBBZ-NXEZZACHSA-N 0 3 283.328 -1.266 20 0 CAADHN Cn1c(C(=O)N[C@@H]2COC3(CNC3)C2)c[nH]c1=O ZINC001354072880 886295841 /nfs/dbraw/zinc/29/58/41/886295841.db2.gz DWKJRYXKQKTKFD-ZETCQYMHSA-N 0 3 252.274 -1.014 20 0 CAADHN C[C@H](C(=O)NCCN(C)CCOCCO)n1cncn1 ZINC001354171202 886300770 /nfs/dbraw/zinc/30/07/70/886300770.db2.gz QANUGXICICIQDJ-LLVKDONJSA-N 0 3 285.348 -1.104 20 0 CAADHN CN(CCNC(=O)C[C@H]1CCNC1=O)CCOCCO ZINC001354172253 886301279 /nfs/dbraw/zinc/30/12/79/886301279.db2.gz YABKANPJAHFSPV-LLVKDONJSA-N 0 3 287.360 -1.431 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CC=CCC1 ZINC001354245363 886306399 /nfs/dbraw/zinc/30/63/99/886306399.db2.gz YUGGIJKNUKRAMT-UHFFFAOYSA-N 0 3 266.345 -1.204 20 0 CAADHN COCCS(=O)(=O)CC(=O)N1CCNCCNCC1 ZINC001355028679 886328505 /nfs/dbraw/zinc/32/85/05/886328505.db2.gz SGJGUKQZQIVKSU-UHFFFAOYSA-N 0 3 293.389 -1.931 20 0 CAADHN CN1CCC[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)CN1 ZINC001354450756 886313877 /nfs/dbraw/zinc/31/38/77/886313877.db2.gz RRKLSIANYLYQSM-UWVGGRQHSA-N 0 3 254.334 -1.373 20 0 CAADHN COCCOC[C@H](O)CNCC(=O)N1CCCO1 ZINC001357243295 886394936 /nfs/dbraw/zinc/39/49/36/886394936.db2.gz UJXXBNAPICJNAR-SNVBAGLBSA-N 0 3 262.306 -1.236 20 0 CAADHN N[C@H](CO)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC001357396616 886407035 /nfs/dbraw/zinc/40/70/35/886407035.db2.gz LIRAUPQZVVZUMH-VWYCJHECSA-N 0 3 257.334 -1.636 20 0 CAADHN O=C(N[C@H]1COC2(CNC2)C1)C1CS(=O)(=O)C1 ZINC001357742216 886414497 /nfs/dbraw/zinc/41/44/97/886414497.db2.gz ZMZCJVODGLPWKK-MRVPVSSYSA-N 0 3 260.315 -1.722 20 0 CAADHN COC(=O)N(C)CC(=O)N[C@H]1COC2(CNC2)C1 ZINC001357844666 886416018 /nfs/dbraw/zinc/41/60/18/886416018.db2.gz SLNMBEMSJAWCLA-MRVPVSSYSA-N 0 3 257.290 -1.068 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2COC3(CNC3)C2)NC1=O ZINC001357845283 886416120 /nfs/dbraw/zinc/41/61/20/886416120.db2.gz BJDGVQABXWDYLH-YUMQZZPRSA-N 0 3 254.290 -1.743 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](C)NC(=O)CC(N)=O ZINC001358102499 886422178 /nfs/dbraw/zinc/42/21/78/886422178.db2.gz JDLYFFBYVXPFPA-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN N[C@H](CO)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC001357396605 886406472 /nfs/dbraw/zinc/40/64/72/886406472.db2.gz LIRAUPQZVVZUMH-GMTAPVOTSA-N 0 3 257.334 -1.636 20 0 CAADHN CCN1CCN(CCC(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001362661492 886668863 /nfs/dbraw/zinc/66/88/63/886668863.db2.gz KOTARFXWRMFFGO-JTQLQIEISA-N 0 3 272.349 -2.024 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001363693061 886963158 /nfs/dbraw/zinc/96/31/58/886963158.db2.gz FSYNGYMXVYINBJ-VIFPVBQESA-N 0 3 291.373 -1.533 20 0 CAADHN NS(=O)(=O)NC1CCN(C[C@H]2CNC(=O)C2)CC1 ZINC001363811861 886987834 /nfs/dbraw/zinc/98/78/34/886987834.db2.gz MJJKYHCOOIVWNQ-MRVPVSSYSA-N 0 3 276.362 -1.620 20 0 CAADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@H]2COCCO2)C1 ZINC001363777743 886975688 /nfs/dbraw/zinc/97/56/88/886975688.db2.gz LGFWITPWEIYRMC-QWRGUYRKSA-N 0 3 293.389 -1.093 20 0 CAADHN CNC(=O)CCCN1CCN2CCOC[C@@]2(CO)C1 ZINC001363847636 886996147 /nfs/dbraw/zinc/99/61/47/886996147.db2.gz TXFASCWYZOXZGL-ZDUSSCGKSA-N 0 3 271.361 -1.109 20 0 CAADHN CC(C)(O)[C@H](O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001363820008 886990859 /nfs/dbraw/zinc/99/08/59/886990859.db2.gz RSWOFAVXOGCJQI-HBNTYKKESA-N 0 3 272.345 -1.214 20 0 CAADHN C[C@@H]1CN(CCO)[C@@H](C)CN1CCNS(C)(=O)=O ZINC001364445237 887087449 /nfs/dbraw/zinc/08/74/49/887087449.db2.gz KWLRIPHATZNUQH-MNOVXSKESA-N 0 3 279.406 -1.078 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H](O)CO)CC1=O ZINC001364392210 887075675 /nfs/dbraw/zinc/07/56/75/887075675.db2.gz XHDXBQOYGKAKQR-VHSXEESVSA-N 0 3 273.333 -2.134 20 0 CAADHN COC(=O)c1cn([C@@H]2CCN(C[C@H](O)CO)C2)nn1 ZINC001365289931 887192104 /nfs/dbraw/zinc/19/21/04/887192104.db2.gz QCPKGKFPTGXOLZ-BDAKNGLRSA-N 0 3 270.289 -1.335 20 0 CAADHN CN(C)C(=O)CCN1CCN2CCOC[C@@]2(CO)C1 ZINC001365336442 887197625 /nfs/dbraw/zinc/19/76/25/887197625.db2.gz JXBSDQORXVSZJB-ZDUSSCGKSA-N 0 3 271.361 -1.156 20 0 CAADHN CNC(=O)C[C@@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC001365590241 887228428 /nfs/dbraw/zinc/22/84/28/887228428.db2.gz RUHZFDLAOWZWHF-SKDRFNHKSA-N 0 3 272.349 -1.123 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cnn(C)c1N ZINC001366258098 887280474 /nfs/dbraw/zinc/28/04/74/887280474.db2.gz FFTCYAVPICNYAO-YUMQZZPRSA-N 0 3 282.348 -1.155 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCO1)NCC(=O)NC(N)=O ZINC001366255885 887282108 /nfs/dbraw/zinc/28/21/08/887282108.db2.gz WAEJFTNCMMFETE-SFYZADRCSA-N 0 3 272.305 -1.545 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001366327087 887289691 /nfs/dbraw/zinc/28/96/91/887289691.db2.gz USHAWLHNPCTNLP-ZCFIWIBFSA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001366310805 887290081 /nfs/dbraw/zinc/29/00/81/887290081.db2.gz MANSGCXVRSRHQE-BDAKNGLRSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)N[C@@H](C)C(N)=O ZINC001366310079 887291861 /nfs/dbraw/zinc/29/18/61/887291861.db2.gz PHYDZXXZVYTQIC-ZJUUUORDSA-N 0 3 299.375 -2.272 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCCN1C(N)=O)NCC(N)=O ZINC001366349617 887292742 /nfs/dbraw/zinc/29/27/42/887292742.db2.gz WWFHNZSZQPLRLV-BDAKNGLRSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001366374407 887293649 /nfs/dbraw/zinc/29/36/49/887293649.db2.gz LFXALTDIKLLKEJ-IUCAKERBSA-N 0 3 291.373 -1.644 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)N[C@@H]1CCN(C)C1=O ZINC001366373082 887294005 /nfs/dbraw/zinc/29/40/05/887294005.db2.gz PJQSPKCCTAFQAM-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN1CCCC1=O ZINC001366246558 887276263 /nfs/dbraw/zinc/27/62/63/887276263.db2.gz AHRWBVYGNKADBA-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)C[C@@H](C)OC ZINC001366264245 887278210 /nfs/dbraw/zinc/27/82/10/887278210.db2.gz SQCIBDHZHDGRRI-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1CCOC1)NCC(=O)NC(N)=O ZINC001366257213 887278318 /nfs/dbraw/zinc/27/83/18/887278318.db2.gz FLYFTYBHQHRKGR-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)CNC(=O)OC ZINC001366251294 887279239 /nfs/dbraw/zinc/27/92/39/887279239.db2.gz ARZPUSLQELPXFX-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001366373268 887297434 /nfs/dbraw/zinc/29/74/34/887297434.db2.gz DNHORWVFLZGJIH-WDEREUQCSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1)C(N)=O ZINC001366379894 887297566 /nfs/dbraw/zinc/29/75/66/887297566.db2.gz AMDOPHJNXNPRMP-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)CN1CCCC1=O ZINC001366507190 887303791 /nfs/dbraw/zinc/30/37/91/887303791.db2.gz VLVUULXFHXTXDT-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)c1nccnc1C(N)=O ZINC001366585469 887314569 /nfs/dbraw/zinc/31/45/69/887314569.db2.gz LJRJNOHJDVWZTQ-MRVPVSSYSA-N 0 3 281.316 -1.382 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)c1nccnc1C(N)=O ZINC001366585474 887316039 /nfs/dbraw/zinc/31/60/39/887316039.db2.gz LJRJNOHJDVWZTQ-QMMMGPOBSA-N 0 3 281.316 -1.382 20 0 CAADHN CCN(CCO)CCNC(=O)c1nccnc1C(N)=O ZINC001366644811 887320763 /nfs/dbraw/zinc/32/07/63/887320763.db2.gz MFCHBTDOOLGPET-UHFFFAOYSA-N 0 3 281.316 -1.381 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001366594292 887323199 /nfs/dbraw/zinc/32/31/99/887323199.db2.gz XABFYXVVVXQCNL-MRVPVSSYSA-N 0 3 284.316 -1.472 20 0 CAADHN CCN1C[C@@H](C(=O)N(C)CCN[C@H](C)C(N)=O)CC1=O ZINC001366769973 887332331 /nfs/dbraw/zinc/33/23/31/887332331.db2.gz MMJOEASZFLSKEY-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001366774940 887335982 /nfs/dbraw/zinc/33/59/82/887335982.db2.gz YCDBZBNVZUXJPO-SECBINFHSA-N 0 3 281.320 -2.048 20 0 CAADHN CS(=O)(=O)NCCC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001367030444 887359161 /nfs/dbraw/zinc/35/91/61/887359161.db2.gz NMDJIZYPWIZZKA-SNVBAGLBSA-N 0 3 293.389 -1.501 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001367025120 887360056 /nfs/dbraw/zinc/36/00/56/887360056.db2.gz HUJKZOHKXXHLEM-IVZWLZJFSA-N 0 3 288.348 -1.759 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001367395924 887382057 /nfs/dbraw/zinc/38/20/57/887382057.db2.gz JJABWEZAUYFWPA-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001367025116 887362307 /nfs/dbraw/zinc/36/23/07/887362307.db2.gz HUJKZOHKXXHLEM-AEJSXWLSSA-N 0 3 288.348 -1.759 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001367120105 887365200 /nfs/dbraw/zinc/36/52/00/887365200.db2.gz GPFSRGZTKFNZHZ-IUCAKERBSA-N 0 3 285.348 -1.712 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)NCC(=O)NC ZINC001367102192 887365631 /nfs/dbraw/zinc/36/56/31/887365631.db2.gz NEHYELUMONZVKD-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001367560574 887385814 /nfs/dbraw/zinc/38/58/14/887385814.db2.gz AWRHUSXQOJDSRH-VHSXEESVSA-N 0 3 286.332 -2.580 20 0 CAADHN CCc1ocnc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001367575996 887393427 /nfs/dbraw/zinc/39/34/27/887393427.db2.gz AOYULTPBBVUOEA-QMMMGPOBSA-N 0 3 284.316 -1.337 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1=CCOCC1)C(N)=O ZINC001367573845 887395448 /nfs/dbraw/zinc/39/54/48/887395448.db2.gz KWALNWGZJOLWKA-SCZZXKLOSA-N 0 3 271.317 -1.726 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367754009 887429910 /nfs/dbraw/zinc/42/99/10/887429910.db2.gz MVFUNXZYAPBULW-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001367636598 887416093 /nfs/dbraw/zinc/41/60/93/887416093.db2.gz COBOAKIICSCWAJ-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN Cc1nccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001367631863 887416212 /nfs/dbraw/zinc/41/62/12/887416212.db2.gz QDZUAXGXXCYRTL-VXNVDRBHSA-N 0 3 281.316 -1.661 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001367654485 887418427 /nfs/dbraw/zinc/41/84/27/887418427.db2.gz CBGLNJDXJWWMBG-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001367666475 887419983 /nfs/dbraw/zinc/41/99/83/887419983.db2.gz RTCPTAHRGIJXPU-ZETCQYMHSA-N 0 3 270.293 -2.759 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCCCS1(=O)=O ZINC001367673898 887422928 /nfs/dbraw/zinc/42/29/28/887422928.db2.gz JOTVNSJNGXBYRN-RKDXNWHRSA-N 0 3 291.373 -1.467 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H](C)CC(N)=O ZINC001367694044 887423125 /nfs/dbraw/zinc/42/31/25/887423125.db2.gz QPUSSCSZLVMVPZ-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN COC1CC(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)C1 ZINC001367674331 887423532 /nfs/dbraw/zinc/42/35/32/887423532.db2.gz BJYCEISNDMRKPS-AFPNSQJFSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001367693885 887424267 /nfs/dbraw/zinc/42/42/67/887424267.db2.gz ZGUWHDRNJOTYDL-OPRDCNLKSA-N 0 3 282.344 -1.410 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CCn1cncn1 ZINC001367718434 887426123 /nfs/dbraw/zinc/42/61/23/887426123.db2.gz BSXTTZORVNFZOW-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CO[C@H]1CCOC1 ZINC001367731886 887426989 /nfs/dbraw/zinc/42/69/89/887426989.db2.gz MOHWOSIRAFWLAI-UWVGGRQHSA-N 0 3 273.333 -1.368 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001367712261 887428505 /nfs/dbraw/zinc/42/85/05/887428505.db2.gz LJLFNYZTADDJTD-BDAKNGLRSA-N 0 3 270.333 -1.505 20 0 CAADHN COC[C@@H](C)CC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001367764468 887429852 /nfs/dbraw/zinc/42/98/52/887429852.db2.gz SWMOUCVZLQSXIA-IUCAKERBSA-N 0 3 288.348 -1.052 20 0 CAADHN O=C(COCC1CC1)NC[C@]1(O)CCN(CCO)C1 ZINC001368238754 887459441 /nfs/dbraw/zinc/45/94/41/887459441.db2.gz JJEKOIPWBMEVDF-CYBMUJFWSA-N 0 3 272.345 -1.042 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001368268783 887465881 /nfs/dbraw/zinc/46/58/81/887465881.db2.gz SXIHIEFTMDBQSK-GWCFXTLKSA-N 0 3 285.344 -1.848 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cc1ccc[nH]1)C(N)=O ZINC001368403083 887486679 /nfs/dbraw/zinc/48/66/79/887486679.db2.gz BFSVABXCARVRPC-SNVBAGLBSA-N 0 3 282.344 -1.159 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H]1CN(C(C)=O)CCO1 ZINC001368503876 887491234 /nfs/dbraw/zinc/49/12/34/887491234.db2.gz SLCPOQIABHWHFM-VIFPVBQESA-N 0 3 272.305 -1.721 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCCF ZINC001368853127 887503953 /nfs/dbraw/zinc/50/39/53/887503953.db2.gz PARVGHUKHHKKPE-BDAKNGLRSA-N 0 3 290.339 -1.309 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCCF ZINC001368883020 887504030 /nfs/dbraw/zinc/50/40/30/887504030.db2.gz WDRZETVQKRWLNP-SFYZADRCSA-N 0 3 284.357 -1.508 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)c1cn(C)nn1 ZINC001368866673 887504699 /nfs/dbraw/zinc/50/46/99/887504699.db2.gz OQVKIBQYIFBZHK-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)CCCC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001368848683 887506677 /nfs/dbraw/zinc/50/66/77/887506677.db2.gz UUNSQMVEKHNPDR-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)[C@H](C)NCC(=O)N(C)C ZINC001368842935 887506772 /nfs/dbraw/zinc/50/67/72/887506772.db2.gz IHEMDKDKKCLURO-DTWKUNHWSA-N 0 3 287.364 -1.514 20 0 CAADHN CCOCC(=O)N1CCO[C@@H]([C@@H](C)NCC(N)=O)C1 ZINC001369150780 887523235 /nfs/dbraw/zinc/52/32/35/887523235.db2.gz VICCJJWRMSTAPC-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001369335459 887546268 /nfs/dbraw/zinc/54/62/68/887546268.db2.gz MUNLHTLRNOZGFY-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)CCc1c[nH]cn1 ZINC001369333977 887548195 /nfs/dbraw/zinc/54/81/95/887548195.db2.gz GRNFPFGZIOYVJW-JTQLQIEISA-N 0 3 283.332 -1.845 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)CCc1cnc[nH]1 ZINC001369333977 887548204 /nfs/dbraw/zinc/54/82/04/887548204.db2.gz GRNFPFGZIOYVJW-JTQLQIEISA-N 0 3 283.332 -1.845 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@@H]1CCCCO1 ZINC001369457283 887574662 /nfs/dbraw/zinc/57/46/62/887574662.db2.gz DSAJHVYIVAQFQL-QWRGUYRKSA-N 0 3 287.360 -1.160 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C1(C(F)F)CC1 ZINC001369474794 887576011 /nfs/dbraw/zinc/57/60/11/887576011.db2.gz WIJRAXDKKDMDKH-ZETCQYMHSA-N 0 3 279.287 -1.074 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001369472804 887576784 /nfs/dbraw/zinc/57/67/84/887576784.db2.gz KMDKIDKHESGDBE-RKDXNWHRSA-N 0 3 288.348 -2.347 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001369526293 887580712 /nfs/dbraw/zinc/58/07/12/887580712.db2.gz YMGTYOODTMYWQR-MNOVXSKESA-N 0 3 287.360 -1.602 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)CNC(C)=O)C1CC1 ZINC001370126969 887602657 /nfs/dbraw/zinc/60/26/57/887602657.db2.gz LCQFKPOOCLGJNH-NSHDSACASA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](CNC(=O)COC)C1CC1 ZINC001370109627 887603204 /nfs/dbraw/zinc/60/32/04/887603204.db2.gz HATCKEUDBITVER-VIFPVBQESA-N 0 3 286.332 -1.427 20 0 CAADHN CCn1cc(C(=O)NC[C@H](NCC(N)=O)C2CC2)nn1 ZINC001370259008 887603628 /nfs/dbraw/zinc/60/36/28/887603628.db2.gz QRJSUMZCWUSYBW-VIFPVBQESA-N 0 3 280.332 -1.119 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001371140826 887648233 /nfs/dbraw/zinc/64/82/33/887648233.db2.gz OSDHTPJGYXRDOQ-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](C)NCCS(C)(=O)=O ZINC001371103456 887648248 /nfs/dbraw/zinc/64/82/48/887648248.db2.gz QBYXSFFIWYCAPT-IUCAKERBSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001371390032 887659419 /nfs/dbraw/zinc/65/94/19/887659419.db2.gz VZJQCUYZYWTSHK-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)CNC(C)=O)C1)C(N)=O ZINC001371496839 887663469 /nfs/dbraw/zinc/66/34/69/887663469.db2.gz LMZWGICZTMURRX-UWVGGRQHSA-N 0 3 270.333 -1.423 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)Cn1ncnn1 ZINC001371974544 887677482 /nfs/dbraw/zinc/67/74/82/887677482.db2.gz VZQXPWVMLCBKBS-SECBINFHSA-N 0 3 272.309 -2.272 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001373589428 887750536 /nfs/dbraw/zinc/75/05/36/887750536.db2.gz FLGASWBUJKQNJY-AEJSXWLSSA-N 0 3 287.316 -1.707 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCC1CN(CCCF)C1 ZINC001373527824 887751293 /nfs/dbraw/zinc/75/12/93/887751293.db2.gz QUORXLRDVXWSNC-UHFFFAOYSA-N 0 3 296.368 -1.552 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](O)CNC(=O)COC ZINC001374565571 887793324 /nfs/dbraw/zinc/79/33/24/887793324.db2.gz CLQHCIMISKJGNH-YUMQZZPRSA-N 0 3 290.320 -2.456 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H](C)CC(N)=O ZINC001374266168 887780005 /nfs/dbraw/zinc/78/00/05/887780005.db2.gz DNXNLAFEZHVRQN-IUCAKERBSA-N 0 3 272.349 -1.320 20 0 CAADHN CO[C@H](C)CC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001374593651 887803616 /nfs/dbraw/zinc/80/36/16/887803616.db2.gz YTFXDQPIYQWJRL-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccns1 ZINC001374612899 887811505 /nfs/dbraw/zinc/81/15/05/887811505.db2.gz RKZPZDIDDFADHZ-MRVPVSSYSA-N 0 3 286.357 -1.088 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1cncs1)C(N)=O ZINC001374613781 887812588 /nfs/dbraw/zinc/81/25/88/887812588.db2.gz CTZYMINIOCYYLO-SFYZADRCSA-N 0 3 286.357 -1.374 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C(C)(C)COC ZINC001374623885 887816144 /nfs/dbraw/zinc/81/61/44/887816144.db2.gz FHXOUNSQYIBWMA-VHSXEESVSA-N 0 3 289.376 -1.140 20 0 CAADHN O=C(CCC(F)F)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001374629469 887817693 /nfs/dbraw/zinc/81/76/93/887817693.db2.gz JYBCXAUERIZCBW-YUMQZZPRSA-N 0 3 279.287 -1.013 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C(C)C ZINC001374580240 887794971 /nfs/dbraw/zinc/79/49/71/887794971.db2.gz LIMXVAAHLSEZLY-VIFPVBQESA-N 0 3 288.348 -1.445 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1nccs1 ZINC001374683351 887830826 /nfs/dbraw/zinc/83/08/26/887830826.db2.gz JENPNQRBBSPNSC-QMMMGPOBSA-N 0 3 286.357 -1.372 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001374684967 887830860 /nfs/dbraw/zinc/83/08/60/887830860.db2.gz OLXJKCOTDPRHJU-JGVFFNPUSA-N 0 3 293.345 -2.884 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CS(C)(=O)=O ZINC001374707785 887836557 /nfs/dbraw/zinc/83/65/57/887836557.db2.gz CSCLZQNIYXWUJS-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cc(OC)ncn1 ZINC001374755083 887839896 /nfs/dbraw/zinc/83/98/96/887839896.db2.gz KFSMMAVTVKHUOI-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC1CC1 ZINC001374764384 887840915 /nfs/dbraw/zinc/84/09/15/887840915.db2.gz CIMAGIKATCNANU-BDAKNGLRSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)c1cn(C)c(=O)n1C ZINC001375156192 887864208 /nfs/dbraw/zinc/86/42/08/887864208.db2.gz CKLHMSXZEGPVDH-SECBINFHSA-N 0 3 270.333 -1.234 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)CNC(C)=O ZINC001374859480 887849695 /nfs/dbraw/zinc/84/96/95/887849695.db2.gz BZXUNZNVYGGPGG-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001374903250 887850894 /nfs/dbraw/zinc/85/08/94/887850894.db2.gz DDXVMFOZGDLHJV-QMMMGPOBSA-N 0 3 291.373 -1.739 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CCN1C(C)C ZINC001375459438 887879005 /nfs/dbraw/zinc/87/90/05/887879005.db2.gz RGWUWLQYWOHPPK-SNVBAGLBSA-N 0 3 292.405 -1.019 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001376132188 887905809 /nfs/dbraw/zinc/90/58/09/887905809.db2.gz VAUYNKFHPYWPMJ-VHSXEESVSA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001376132178 887905828 /nfs/dbraw/zinc/90/58/28/887905828.db2.gz VAUYNKFHPYWPMJ-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001376261503 887918394 /nfs/dbraw/zinc/91/83/94/887918394.db2.gz WVZLTZUCDGXKAS-MNOVXSKESA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001376261511 887918404 /nfs/dbraw/zinc/91/84/04/887918404.db2.gz WVZLTZUCDGXKAS-QWRGUYRKSA-N 0 3 284.360 -1.129 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001376332886 887920656 /nfs/dbraw/zinc/92/06/56/887920656.db2.gz QMHZRAQENBYQCO-QMMMGPOBSA-N 0 3 281.320 -1.850 20 0 CAADHN CC[C@H](C(=O)NCC1(O)CN(CC(=O)NC)C1)N(C)C ZINC001376198298 887916001 /nfs/dbraw/zinc/91/60/01/887916001.db2.gz YFCLIKUZAOBQGD-SNVBAGLBSA-N 0 3 286.376 -1.765 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H]1CN(C(=O)C2CC2)CCO1 ZINC001376831984 887961447 /nfs/dbraw/zinc/96/14/47/887961447.db2.gz OPYOXTLJRPUJMU-SECBINFHSA-N 0 3 284.316 -1.592 20 0 CAADHN COCC(=O)N(C)CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001376904662 887967984 /nfs/dbraw/zinc/96/79/84/887967984.db2.gz YHLMIMUSIYCXOI-VIFPVBQESA-N 0 3 286.332 -2.233 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)C1=COCCO1 ZINC001377114608 887974571 /nfs/dbraw/zinc/97/45/71/887974571.db2.gz IJXCQFZSLZPNPR-JTQLQIEISA-N 0 3 274.317 -1.070 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001377168547 887977568 /nfs/dbraw/zinc/97/75/68/887977568.db2.gz VKABZDISALDLEL-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001376749160 887955800 /nfs/dbraw/zinc/95/58/00/887955800.db2.gz UWRWAIMIUANKDA-IUCAKERBSA-N 0 3 288.348 -1.941 20 0 CAADHN C[C@H](CNC(=O)c1cc(CN(C)C)on1)NCC(N)=O ZINC001376754657 887956600 /nfs/dbraw/zinc/95/66/00/887956600.db2.gz MHFQTMHUKJHDHH-MRVPVSSYSA-N 0 3 283.332 -1.071 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001378088986 888035731 /nfs/dbraw/zinc/03/57/31/888035731.db2.gz CBYUXGVXQHPKFL-UTUOFQBUSA-N 0 3 288.344 -1.400 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001377222506 887983031 /nfs/dbraw/zinc/98/30/31/887983031.db2.gz CCCOZTCDUXKXKJ-YUMQZZPRSA-N 0 3 272.305 -1.987 20 0 CAADHN CCCS(=O)(=O)CC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001377596442 888003594 /nfs/dbraw/zinc/00/35/94/888003594.db2.gz HXNDTWMVCCLOPK-VIFPVBQESA-N 0 3 293.389 -1.267 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@]1(C)CCC(=O)NC1)C(N)=O ZINC001377581528 888005076 /nfs/dbraw/zinc/00/50/76/888005076.db2.gz ONVSPLSBJJQENX-RNCFNFMXSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001377581605 888005289 /nfs/dbraw/zinc/00/52/89/888005289.db2.gz UKFLTIOTUICLMY-UWVGGRQHSA-N 0 3 282.344 -1.599 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001377589556 888006020 /nfs/dbraw/zinc/00/60/20/888006020.db2.gz HWRJQKSUPMXRFW-HLTSFMKQSA-N 0 3 270.333 -1.710 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001377909771 888018060 /nfs/dbraw/zinc/01/80/60/888018060.db2.gz WGLNZDMMSJIRAF-YUMQZZPRSA-N 0 3 281.316 -1.638 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cscn1 ZINC001379165152 888092446 /nfs/dbraw/zinc/09/24/46/888092446.db2.gz IHXADKLVFJUAGU-QMMMGPOBSA-N 0 3 286.357 -1.041 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cscn1 ZINC001379166817 888092633 /nfs/dbraw/zinc/09/26/33/888092633.db2.gz KSKKVBYBMZTJLV-HTQZYQBOSA-N 0 3 284.341 -1.288 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001379164961 888093462 /nfs/dbraw/zinc/09/34/62/888093462.db2.gz JXOQSXZMPLRDGV-SNVBAGLBSA-N 0 3 283.332 -1.914 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001379167246 888093491 /nfs/dbraw/zinc/09/34/91/888093491.db2.gz HOBALBFNMLLQHC-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CS(=O)(=O)CC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001379164392 888094697 /nfs/dbraw/zinc/09/46/97/888094697.db2.gz DRMQLNPUNMIIQS-YUMQZZPRSA-N 0 3 293.345 -3.014 20 0 CAADHN CC(C)C(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001379167232 888095252 /nfs/dbraw/zinc/09/52/52/888095252.db2.gz KMHLYIHECAUMNP-NSHDSACASA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(F)cn1 ZINC001379195888 888102361 /nfs/dbraw/zinc/10/23/61/888102361.db2.gz LJGFLECGQLIOBH-SECBINFHSA-N 0 3 284.291 -1.353 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1coc(OC)n1 ZINC001379229287 888109208 /nfs/dbraw/zinc/10/92/08/888109208.db2.gz INZIWWPYTLONBR-ZETCQYMHSA-N 0 3 286.288 -1.891 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cncn1C ZINC001379256786 888114420 /nfs/dbraw/zinc/11/44/20/888114420.db2.gz IJAHGSHSZAXTPC-JTQLQIEISA-N 0 3 283.332 -2.225 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001379261979 888114462 /nfs/dbraw/zinc/11/44/62/888114462.db2.gz VZBREECFZUKCSX-SFYZADRCSA-N 0 3 272.305 -2.922 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)o1 ZINC001379253786 888114483 /nfs/dbraw/zinc/11/44/83/888114483.db2.gz CVLJJHAXXGBRFM-ZETCQYMHSA-N 0 3 271.273 -1.546 20 0 CAADHN CCc1nc(C(=O)NC[C@@H](O)CNCC(N)=O)c(C)o1 ZINC001379255965 888115538 /nfs/dbraw/zinc/11/55/38/888115538.db2.gz SJFATESBYRZNLN-QMMMGPOBSA-N 0 3 284.316 -1.289 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1cncn1C)C(N)=O ZINC001379262083 888115930 /nfs/dbraw/zinc/11/59/30/888115930.db2.gz WBOOQLOYKWHGCB-WCBMZHEXSA-N 0 3 283.332 -2.097 20 0 CAADHN COCc1nocc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001379268450 888116999 /nfs/dbraw/zinc/11/69/99/888116999.db2.gz XIKBDUQZZSUNFI-ZETCQYMHSA-N 0 3 286.288 -2.013 20 0 CAADHN C[C@H](CN(C)C(=O)CCNC(N)=O)NCC(=O)N1CCC1 ZINC001379318029 888120599 /nfs/dbraw/zinc/12/05/99/888120599.db2.gz RTXYDEBKIYTGPA-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@@H](CN(C)C(=O)CS(=O)(=O)N(C)C)NCC(N)=O ZINC001379306692 888120634 /nfs/dbraw/zinc/12/06/34/888120634.db2.gz ANCHXFZOEIWRFF-QMMMGPOBSA-N 0 3 294.377 -2.200 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CN(C)C(C)=O ZINC001379313162 888121350 /nfs/dbraw/zinc/12/13/50/888121350.db2.gz SUNTWSKFJBEZCE-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001379314314 888121364 /nfs/dbraw/zinc/12/13/64/888121364.db2.gz HGGSCHGYGVEGHS-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001379322547 888121373 /nfs/dbraw/zinc/12/13/73/888121373.db2.gz ZHWONWIILNKWGV-YUMQZZPRSA-N 0 3 271.321 -2.020 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001378112573 888038790 /nfs/dbraw/zinc/03/87/90/888038790.db2.gz AAVBQNNJIQJTAC-GMTAPVOTSA-N 0 3 287.360 -1.304 20 0 CAADHN C[C@H](CN(C)C(=O)c1ncc[nH]1)NCC(=O)NC(N)=O ZINC001379116231 888081961 /nfs/dbraw/zinc/08/19/61/888081961.db2.gz OZHUBGROYMYSPH-SSDOTTSWSA-N 0 3 282.304 -1.345 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H]1CCCNC1=O ZINC001379065708 888085200 /nfs/dbraw/zinc/08/52/00/888085200.db2.gz OMGTYEYNLUKOEM-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H]1CCCNC1=O ZINC001379065705 888086729 /nfs/dbraw/zinc/08/67/29/888086729.db2.gz OMGTYEYNLUKOEM-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001379473491 888149428 /nfs/dbraw/zinc/14/94/28/888149428.db2.gz BIYWWASWUJRWQK-SECBINFHSA-N 0 3 284.320 -2.450 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001379473491 888149436 /nfs/dbraw/zinc/14/94/36/888149436.db2.gz BIYWWASWUJRWQK-SECBINFHSA-N 0 3 284.320 -2.450 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](CO)[NH2+]CCO ZINC001379470122 888150201 /nfs/dbraw/zinc/15/02/01/888150201.db2.gz KMIUAZFQKJNKCN-QMMMGPOBSA-N 0 3 270.289 -1.837 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCCC(N)=O ZINC001379583058 888163421 /nfs/dbraw/zinc/16/34/21/888163421.db2.gz GGEWDWMQKREYJC-DTWKUNHWSA-N 0 3 270.333 -1.294 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CNC(=O)OC)C1 ZINC001379589456 888168039 /nfs/dbraw/zinc/16/80/39/888168039.db2.gz WPWDQYXLJJJJAK-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)CNCC(N)=O ZINC001379598282 888168045 /nfs/dbraw/zinc/16/80/45/888168045.db2.gz KMAZLQDQOQGXSA-MNOVXSKESA-N 0 3 286.376 -1.466 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccccn1)C(N)=O ZINC001379741109 888170097 /nfs/dbraw/zinc/17/00/97/888170097.db2.gz GNMYRYBFBBTYBE-NXEZZACHSA-N 0 3 280.328 -1.022 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCOC ZINC001379317146 888122809 /nfs/dbraw/zinc/12/28/09/888122809.db2.gz ADSKMRYGXTVSCZ-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN COC[C@@H](OC)C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001379420074 888139457 /nfs/dbraw/zinc/13/94/57/888139457.db2.gz PGSRPMSWIKUMDR-HTQZYQBOSA-N 0 3 290.320 -2.063 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NCc1cnon1)N(C)C ZINC001379433989 888143737 /nfs/dbraw/zinc/14/37/37/888143737.db2.gz IVCJWJLNBUVMLS-WDEREUQCSA-N 0 3 285.348 -1.024 20 0 CAADHN CNC(=O)CN(C)C[C@@H](C)NC(=O)CCc1cnn[nH]1 ZINC001379754389 888171009 /nfs/dbraw/zinc/17/10/09/888171009.db2.gz VPOGTAMLDJIJIU-SECBINFHSA-N 0 3 282.348 -1.080 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cnsn1)C(N)=O ZINC001379740592 888171900 /nfs/dbraw/zinc/17/19/00/888171900.db2.gz GLABFPWHFSVFED-BQBZGAKWSA-N 0 3 287.345 -1.566 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cn1ncnn1 ZINC001379796532 888173988 /nfs/dbraw/zinc/17/39/88/888173988.db2.gz XZHMLHOBFJVINL-SSDOTTSWSA-N 0 3 271.281 -3.433 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001379866258 888180537 /nfs/dbraw/zinc/18/05/37/888180537.db2.gz XFNUHKZOUBYGBY-SECBINFHSA-N 0 3 285.348 -1.725 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001379964677 888182582 /nfs/dbraw/zinc/18/25/82/888182582.db2.gz IKSZOAFJDMOOGN-JTQLQIEISA-N 0 3 270.333 -1.304 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001380268190 888200228 /nfs/dbraw/zinc/20/02/28/888200228.db2.gz AENSFIIHHCGYPH-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN CCC(=O)N1CCO[C@@H](CNCC(=O)NC(=O)NC)C1 ZINC001380900364 888236727 /nfs/dbraw/zinc/23/67/27/888236727.db2.gz ZNXHKBJPNGAFCZ-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC ZINC001381363056 888250464 /nfs/dbraw/zinc/25/04/64/888250464.db2.gz GMGGIRLROFWMEH-BDAKNGLRSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CN(C)C(=O)C1CC1 ZINC001381391995 888251051 /nfs/dbraw/zinc/25/10/51/888251051.db2.gz XAFMCXARYDVTBD-BDAKNGLRSA-N 0 3 284.360 -1.177 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)CNC(=O)OC ZINC001381490750 888252585 /nfs/dbraw/zinc/25/25/85/888252585.db2.gz NFTAUUXECUSGBD-VHSXEESVSA-N 0 3 291.348 -1.214 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001382094028 888273189 /nfs/dbraw/zinc/27/31/89/888273189.db2.gz AAKXROVKQOJMPS-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001382094051 888276037 /nfs/dbraw/zinc/27/60/37/888276037.db2.gz AAKXROVKQOJMPS-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NCC(N)=O ZINC001382054412 888276071 /nfs/dbraw/zinc/27/60/71/888276071.db2.gz IVNJCDVMEFSTLM-IUCAKERBSA-N 0 3 271.317 -1.139 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)c1ncn(C)n1 ZINC001381516925 888259442 /nfs/dbraw/zinc/25/94/42/888259442.db2.gz PXPSQNYFMJRJEU-ZJUUUORDSA-N 0 3 285.348 -1.128 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1cnnn1)N[C@@H](C)C(N)=O ZINC001382141174 888281328 /nfs/dbraw/zinc/28/13/28/888281328.db2.gz TUOQGDGMKGBSAR-BDAKNGLRSA-N 0 3 283.336 -1.627 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001382129768 888281428 /nfs/dbraw/zinc/28/14/28/888281428.db2.gz VKLASJBYNJUNPX-QMMMGPOBSA-N 0 3 281.316 -1.434 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@@H](CO)NCC(N)=O)C1 ZINC001382243298 888313605 /nfs/dbraw/zinc/31/36/05/888313605.db2.gz FSAHGMWZSFDLKV-ZJUUUORDSA-N 0 3 272.349 -2.120 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1)C(N)=O ZINC001382430362 888354707 /nfs/dbraw/zinc/35/47/07/888354707.db2.gz ZMDNELOEEDLMMK-DTWKUNHWSA-N 0 3 283.332 -1.765 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1ccc[nH]1 ZINC001382438879 888357123 /nfs/dbraw/zinc/35/71/23/888357123.db2.gz FBLCPFSKGAKAKI-LLVKDONJSA-N 0 3 282.344 -1.288 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ccn(C)n1)C(N)=O ZINC001382439953 888357784 /nfs/dbraw/zinc/35/77/84/888357784.db2.gz HIFIRNWCDYHIGV-BDAKNGLRSA-N 0 3 283.332 -1.684 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)C1=CCOCC1)C(N)=O ZINC001382392814 888343609 /nfs/dbraw/zinc/34/36/09/888343609.db2.gz WZYGKWPCHDWFQS-ONGXEEELSA-N 0 3 285.344 -1.384 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNCc1cncn1C ZINC001382377655 888345252 /nfs/dbraw/zinc/34/52/52/888345252.db2.gz AFMSOKJWGVKUMP-NSHDSACASA-N 0 3 270.333 -1.025 20 0 CAADHN CC(C)CC(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001382380764 888345359 /nfs/dbraw/zinc/34/53/59/888345359.db2.gz QGYKEDQZGZFOJJ-VIFPVBQESA-N 0 3 288.348 -1.364 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)C1=CCOCC1)C(N)=O ZINC001382392805 888346116 /nfs/dbraw/zinc/34/61/16/888346116.db2.gz WZYGKWPCHDWFQS-GXSJLCMTSA-N 0 3 285.344 -1.384 20 0 CAADHN COCC(=O)NC[C@H](CO)NC(=O)CN(C)C(C)C ZINC001383848422 888392033 /nfs/dbraw/zinc/39/20/33/888392033.db2.gz MMZWUQHFVGSCFK-SNVBAGLBSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C(C)(C)C ZINC001382537467 888366828 /nfs/dbraw/zinc/36/68/28/888366828.db2.gz YERAZLMJRJTXEQ-KXUCPTDWSA-N 0 3 298.387 -1.026 20 0 CAADHN COCC(=O)NC[C@@H](CO)NC(=O)CN(C)C(C)C ZINC001383848420 888392346 /nfs/dbraw/zinc/39/23/46/888392346.db2.gz MMZWUQHFVGSCFK-JTQLQIEISA-N 0 3 275.349 -1.434 20 0 CAADHN CCN(CC)CC(=O)NCC1CN(C(=O)CNC(N)=O)C1 ZINC001387878328 888498271 /nfs/dbraw/zinc/49/82/71/888498271.db2.gz NSGUBCDFGGBNII-UHFFFAOYSA-N 0 3 299.375 -1.429 20 0 CAADHN O=C(c1cnon1)N1CCC[C@H](N(CCO)CCO)C1 ZINC001388780970 888511815 /nfs/dbraw/zinc/51/18/15/888511815.db2.gz UOJCKDKLACDGPD-JTQLQIEISA-N 0 3 284.316 -1.039 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)CCNC(N)=O)C1 ZINC001389193320 888534905 /nfs/dbraw/zinc/53/49/05/888534905.db2.gz YYICJRHBKRZEMA-UHFFFAOYSA-N 0 3 299.375 -1.288 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001389466233 888550264 /nfs/dbraw/zinc/55/02/64/888550264.db2.gz ZGDCKOAZIMQGTL-RYUDHWBXSA-N 0 3 287.360 -1.338 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CCN(C[C@H](C)O)C1 ZINC001389454149 888550713 /nfs/dbraw/zinc/55/07/13/888550713.db2.gz LUWDHMRGBGRPIW-VHSXEESVSA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@@H](CNC(=O)COCC1CC1)NCC(=O)NC(N)=O ZINC001390297743 888574536 /nfs/dbraw/zinc/57/45/36/888574536.db2.gz DAQAZYNNIKAZBX-QMMMGPOBSA-N 0 3 286.332 -1.298 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CCn1cncn1 ZINC001390331645 888578986 /nfs/dbraw/zinc/57/89/86/888578986.db2.gz XJPIDUJCLWEGMP-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@H]1COC(=O)C1 ZINC001390339855 888579024 /nfs/dbraw/zinc/57/90/24/888579024.db2.gz KRVGDUHBRLBNIZ-RKDXNWHRSA-N 0 3 271.317 -1.220 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001390466559 888583961 /nfs/dbraw/zinc/58/39/61/888583961.db2.gz JFOWVPUFYFQESC-SFYZADRCSA-N 0 3 283.332 -1.032 20 0 CAADHN CN(CCO)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001390762543 888600333 /nfs/dbraw/zinc/60/03/33/888600333.db2.gz AQYIJPIFBWLFRB-UHFFFAOYSA-N 0 3 270.293 -2.583 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)Cc1nc[nH]n1 ZINC001390838760 888605431 /nfs/dbraw/zinc/60/54/31/888605431.db2.gz BNZYRJVMLWMRAC-VIFPVBQESA-N 0 3 271.321 -1.598 20 0 CAADHN CC[C@@H](CNC(=O)c1cnn(C)c1N)N[C@H](C)C(N)=O ZINC001391675413 888638743 /nfs/dbraw/zinc/63/87/43/888638743.db2.gz GBSZSPQLHUVFBM-SFYZADRCSA-N 0 3 282.348 -1.026 20 0 CAADHN CC[C@@H](CNC(=O)CCS(C)(=O)=O)NCC(N)=O ZINC001391704381 888642926 /nfs/dbraw/zinc/64/29/26/888642926.db2.gz NOJGZLKOOXWAIL-QMMMGPOBSA-N 0 3 279.362 -1.609 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)N[C@H]1CCN(C)C1=O ZINC001391692033 888643348 /nfs/dbraw/zinc/64/33/48/888643348.db2.gz KJOBQBNLLFWNCO-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)NCC(=O)NCC1CN(C[C@H](O)COC)C1 ZINC001391486338 888634607 /nfs/dbraw/zinc/63/46/07/888634607.db2.gz BUJPNKHTVRCVPD-JTQLQIEISA-N 0 3 288.348 -2.029 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1COCCO1 ZINC001392040403 888659842 /nfs/dbraw/zinc/65/98/42/888659842.db2.gz GZBHMQIKIPQASA-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CN1CCCC1=O ZINC001392046854 888661834 /nfs/dbraw/zinc/66/18/34/888661834.db2.gz ZVBSULHFCVQETN-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](NC[C@@H](C)N(C)C(=O)Cn1ncnn1)C(N)=O ZINC001392065841 888661899 /nfs/dbraw/zinc/66/18/99/888661899.db2.gz USNTWLKJGVONRY-RKDXNWHRSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CCn1cncn1 ZINC001392051292 888662591 /nfs/dbraw/zinc/66/25/91/888662591.db2.gz YARNXCDNTNCGMT-NXEZZACHSA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CCNC(N)=O ZINC001392131591 888666566 /nfs/dbraw/zinc/66/65/66/888666566.db2.gz NVOIYCSGVLSJFK-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C)on1 ZINC001392350827 888678218 /nfs/dbraw/zinc/67/82/18/888678218.db2.gz MNNZIHKQLMDVKO-SECBINFHSA-N 0 3 284.316 -1.201 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n(C)n1 ZINC001392358719 888679291 /nfs/dbraw/zinc/67/92/91/888679291.db2.gz MCZJRCJAJPYBQI-BDAKNGLRSA-N 0 3 283.332 -1.717 20 0 CAADHN CC(F)(F)CC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392392619 888693348 /nfs/dbraw/zinc/69/33/48/888693348.db2.gz LTARBGGFXJJIIS-HTQZYQBOSA-N 0 3 279.287 -1.013 20 0 CAADHN CCc1cncc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001392395553 888694855 /nfs/dbraw/zinc/69/48/55/888694855.db2.gz WNWDJKDNUBMNQL-LLVKDONJSA-N 0 3 280.328 -1.190 20 0 CAADHN CO[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C)C(C)C ZINC001392390702 888695236 /nfs/dbraw/zinc/69/52/36/888695236.db2.gz HBFDPSSEZDJEEN-CMPLNLGQSA-N 0 3 289.376 -1.188 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1n[nH]cc1F ZINC001392401972 888698966 /nfs/dbraw/zinc/69/89/66/888698966.db2.gz IVGMVWANPZRWJJ-SSDOTTSWSA-N 0 3 287.295 -1.683 20 0 CAADHN COc1ccccc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001392420282 888701246 /nfs/dbraw/zinc/70/12/46/888701246.db2.gz OBYSHJFFJXDOFN-VIFPVBQESA-N 0 3 281.312 -1.139 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCn1ccnn1 ZINC001392368147 888687844 /nfs/dbraw/zinc/68/78/44/888687844.db2.gz NPYVEAIUCLFXLN-MRVPVSSYSA-N 0 3 270.293 -2.780 20 0 CAADHN CN1CC[C@@H](CC(=O)NC[C@@H](O)CNCC(N)=O)C1=O ZINC001392378518 888690073 /nfs/dbraw/zinc/69/00/73/888690073.db2.gz BXWGXYLUDMWPLG-IUCAKERBSA-N 0 3 286.332 -2.593 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(N)=O)c(C)nn1 ZINC001392379921 888690228 /nfs/dbraw/zinc/69/02/28/888690228.db2.gz WCXDTFQIYWJUGN-SECBINFHSA-N 0 3 281.316 -1.741 20 0 CAADHN Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001392388453 888690451 /nfs/dbraw/zinc/69/04/51/888690451.db2.gz KLAINCPKSDMRAD-VIFPVBQESA-N 0 3 283.332 -1.797 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCCN1C ZINC001392384983 888690704 /nfs/dbraw/zinc/69/07/04/888690704.db2.gz IXQJDHVCDREHLB-QWRGUYRKSA-N 0 3 286.376 -1.717 20 0 CAADHN CCc1nn(C)cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001392382221 888690828 /nfs/dbraw/zinc/69/08/28/888690828.db2.gz KBEUZRMBRLDXRS-MRVPVSSYSA-N 0 3 283.332 -1.852 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)Cc1cscn1 ZINC001392599418 888723886 /nfs/dbraw/zinc/72/38/86/888723886.db2.gz YUFNCIFYSAEHCF-ZETCQYMHSA-N 0 3 299.356 -1.025 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1cccnn1 ZINC001392521867 888715069 /nfs/dbraw/zinc/71/50/69/888715069.db2.gz SINKTUYTORTAGK-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cn(C)ccc1=O ZINC001392495897 888716402 /nfs/dbraw/zinc/71/64/02/888716402.db2.gz NPRPGFILJIDREH-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001392511184 888716985 /nfs/dbraw/zinc/71/69/85/888716985.db2.gz LTQGDRKTKGEHEO-BBBLOLIVSA-N 0 3 282.344 -1.566 20 0 CAADHN Cc1nc(C(=O)N[C@H](C)CNCC(N)=O)c(=O)[nH]c1C ZINC001392486692 888717057 /nfs/dbraw/zinc/71/70/57/888717057.db2.gz DCGKQFBJMPCMHX-ZCFIWIBFSA-N 0 3 281.316 -1.008 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)[C@H](C)NC(N)=O ZINC001392555216 888720607 /nfs/dbraw/zinc/72/06/07/888720607.db2.gz RDXJBOKTUGAWCG-FXQIFTODSA-N 0 3 271.321 -1.974 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001392584470 888722402 /nfs/dbraw/zinc/72/24/02/888722402.db2.gz FKDADARVNOJOLS-LPEHRKFASA-N 0 3 284.360 -1.164 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001392721709 888734326 /nfs/dbraw/zinc/73/43/26/888734326.db2.gz ORKFOWIPKLLDMF-DCAQKATOSA-N 0 3 287.360 -1.291 20 0 CAADHN CC[C@H](NC1(CNC(=O)C[C@@H](C)NC(N)=O)CC1)C(N)=O ZINC001392897757 888744247 /nfs/dbraw/zinc/74/42/47/888744247.db2.gz NHNWENRMGSCJCM-BDAKNGLRSA-N 0 3 299.375 -1.064 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001393275324 888766243 /nfs/dbraw/zinc/76/62/43/888766243.db2.gz MSDNTAWXVGNITI-WCQYABFASA-N 0 3 287.360 -1.554 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@]1(O)CCN(CCO)C1 ZINC001393251040 888769430 /nfs/dbraw/zinc/76/94/30/888769430.db2.gz JTPVBWQMVMKSBY-CYBMUJFWSA-N 0 3 272.345 -1.163 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001393573983 888796616 /nfs/dbraw/zinc/79/66/16/888796616.db2.gz GCGAQIQFPWOBFE-DTWKUNHWSA-N 0 3 286.332 -2.200 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CS(C)(=O)=O ZINC001394484712 888828167 /nfs/dbraw/zinc/82/81/67/888828167.db2.gz YUTMXTBSKOJCMR-RKDXNWHRSA-N 0 3 293.389 -1.398 20 0 CAADHN COCC(=O)N(C)CC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001394503635 888828719 /nfs/dbraw/zinc/82/87/19/888828719.db2.gz NPUWNQBIFXZVSE-VIFPVBQESA-N 0 3 288.348 -1.987 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001394495539 888830495 /nfs/dbraw/zinc/83/04/95/888830495.db2.gz DPAHEDXBGBXUAB-VHSXEESVSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001393926938 888805829 /nfs/dbraw/zinc/80/58/29/888805829.db2.gz GTSPZKZPGFOEDW-HTQZYQBOSA-N 0 3 282.348 -1.155 20 0 CAADHN CCC[C@@H](C(=O)NC[C@@H](C)N(C)CCO)S(N)(=O)=O ZINC001394089675 888814992 /nfs/dbraw/zinc/81/49/92/888814992.db2.gz AFOXUWHVIPGLBB-ZJUUUORDSA-N 0 3 295.405 -1.128 20 0 CAADHN COC[C@@H](C)N[C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001394582068 888848713 /nfs/dbraw/zinc/84/87/13/888848713.db2.gz ZQHUWIOUAQGWAH-BDAKNGLRSA-N 0 3 282.362 -1.867 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)CN1CCCC1 ZINC001394653456 888875514 /nfs/dbraw/zinc/87/55/14/888875514.db2.gz NSLUVNUDFKGQNX-QWRGUYRKSA-N 0 3 286.376 -1.717 20 0 CAADHN Cc1ccnc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001394735991 888887447 /nfs/dbraw/zinc/88/74/47/888887447.db2.gz PNIGBDQSASDQRY-VIFPVBQESA-N 0 3 281.316 -1.707 20 0 CAADHN Cc1nocc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001394758661 888890456 /nfs/dbraw/zinc/89/04/56/888890456.db2.gz HZVOWQRBDYWZND-MRVPVSSYSA-N 0 3 270.289 -1.509 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CNC(=O)C1CC1 ZINC001394662541 888876949 /nfs/dbraw/zinc/87/69/49/888876949.db2.gz IFRGSGDGNOWNEI-WCBMZHEXSA-N 0 3 282.344 -1.423 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCCNC1=O)C(=O)C(F)F ZINC001394723838 888884602 /nfs/dbraw/zinc/88/46/02/888884602.db2.gz OJTLWIITZVQDKT-HTQZYQBOSA-N 0 3 279.287 -1.061 20 0 CAADHN C[C@@H](CC(=O)NC[C@@H](NCC(N)=O)C1CC1)NC(N)=O ZINC001398407994 888993561 /nfs/dbraw/zinc/99/35/61/888993561.db2.gz LKOCAUFRLJDYDQ-IONNQARKSA-N 0 3 285.348 -1.597 20 0 CAADHN COC[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001398516275 888997862 /nfs/dbraw/zinc/99/78/62/888997862.db2.gz WNJASVVOTJOAIJ-BDAKNGLRSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@@H](CNC(=O)CCN1CCCC1=O)NCC(N)=O ZINC001399123482 889029783 /nfs/dbraw/zinc/02/97/83/889029783.db2.gz UXPABKOXDCXZMQ-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1nccnc1N ZINC001398866354 889017166 /nfs/dbraw/zinc/01/71/66/889017166.db2.gz DGNRGLLNQLFXAD-SFYZADRCSA-N 0 3 280.332 -1.099 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COCCO1)NCC(=O)NC(N)=O ZINC001398878322 889017197 /nfs/dbraw/zinc/01/71/97/889017197.db2.gz HXDHGMVCPYFCAE-JGVFFNPUSA-N 0 3 288.304 -2.309 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1nccnc1N ZINC001398866368 889018677 /nfs/dbraw/zinc/01/86/77/889018677.db2.gz DGNRGLLNQLFXAD-YUMQZZPRSA-N 0 3 280.332 -1.099 20 0 CAADHN C[C@@H](CNC(=O)CCn1ncn(C)c1=O)NCC(N)=O ZINC001399038935 889027318 /nfs/dbraw/zinc/02/73/18/889027318.db2.gz ULZRJUIZBGMSOV-QMMMGPOBSA-N 0 3 284.320 -2.449 20 0 CAADHN COCCn1cc(C(=O)NCCN(C)C[C@H](C)O)nn1 ZINC001399491903 889046506 /nfs/dbraw/zinc/04/65/06/889046506.db2.gz SNVMMDBZZSNTEA-JTQLQIEISA-N 0 3 285.348 -1.033 20 0 CAADHN CN(CCO)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001399658899 889058942 /nfs/dbraw/zinc/05/89/42/889058942.db2.gz ZUNALBKQULJLOE-UHFFFAOYSA-N 0 3 270.293 -2.583 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001400529158 889111618 /nfs/dbraw/zinc/11/16/18/889111618.db2.gz PIANNKANMUABQF-NXEZZACHSA-N 0 3 286.332 -2.277 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001400651596 889114800 /nfs/dbraw/zinc/11/48/00/889114800.db2.gz FLGASWBUJKQNJY-BBBLOLIVSA-N 0 3 287.316 -1.707 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCC(N)=O ZINC001400921121 889121386 /nfs/dbraw/zinc/12/13/86/889121386.db2.gz RZXAPUPACPMPPX-BDAKNGLRSA-N 0 3 285.348 -1.501 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001401229802 889130690 /nfs/dbraw/zinc/13/06/90/889130690.db2.gz WVXXPHAQQSYCOS-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001401264810 889130702 /nfs/dbraw/zinc/13/07/02/889130702.db2.gz YMQXVKWINJOFJT-DTWKUNHWSA-N 0 3 287.364 -1.255 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(N)=O ZINC001401329606 889136491 /nfs/dbraw/zinc/13/64/91/889136491.db2.gz DIRQABZFHHAQKV-SFYZADRCSA-N 0 3 271.321 -2.117 20 0 CAADHN Cc1cnc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001401491227 889138054 /nfs/dbraw/zinc/13/80/54/889138054.db2.gz MRNSQCAODFFPFB-RKDXNWHRSA-N 0 3 281.316 -1.661 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1coc(C)n1)C(N)=O ZINC001401488820 889138086 /nfs/dbraw/zinc/13/80/86/889138086.db2.gz JHFDOBULOZRUSM-RKDXNWHRSA-N 0 3 284.316 -1.073 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCO1 ZINC001401486337 889138118 /nfs/dbraw/zinc/13/81/18/889138118.db2.gz GYMXGQPQAJXHQE-GHMZBOCLSA-N 0 3 287.360 -1.242 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001401480308 889139399 /nfs/dbraw/zinc/13/93/99/889139399.db2.gz ATOYTJXRCPIHSL-MNOVXSKESA-N 0 3 287.360 -1.384 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001401493517 889142381 /nfs/dbraw/zinc/14/23/81/889142381.db2.gz BRSBUNSYICCDQJ-SFYZADRCSA-N 0 3 284.320 -2.148 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1=CCOCC1 ZINC001401505568 889146515 /nfs/dbraw/zinc/14/65/15/889146515.db2.gz UAKNWWOURNJLQL-JTQLQIEISA-N 0 3 271.317 -1.854 20 0 CAADHN Cc1cc(CC(=O)NC[C@H](O)CNCC(N)=O)no1 ZINC001401500377 889146648 /nfs/dbraw/zinc/14/66/48/889146648.db2.gz DDAQQEPDWFZVQE-SECBINFHSA-N 0 3 270.289 -1.922 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001401510453 889149281 /nfs/dbraw/zinc/14/92/81/889149281.db2.gz OKRTVNZDEURQBD-SCZZXKLOSA-N 0 3 283.332 -1.543 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccns1 ZINC001401541652 889152411 /nfs/dbraw/zinc/15/24/11/889152411.db2.gz NBPPXNACAKXNTB-SSDOTTSWSA-N 0 3 272.330 -1.431 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001401548328 889153333 /nfs/dbraw/zinc/15/33/33/889153333.db2.gz IQEKZZJKCOOXGK-JTQLQIEISA-N 0 3 283.332 -1.845 20 0 CAADHN CCN1C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)CC1=O ZINC001401536699 889154886 /nfs/dbraw/zinc/15/48/86/889154886.db2.gz HSPZTKDZRNPSKD-IUCAKERBSA-N 0 3 286.332 -2.593 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001401563885 889158280 /nfs/dbraw/zinc/15/82/80/889158280.db2.gz OZHUVOCEHZOLBB-HTQZYQBOSA-N 0 3 272.305 -2.935 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001401656976 889174615 /nfs/dbraw/zinc/17/46/15/889174615.db2.gz XJHKUJQMZUFBHU-BDAKNGLRSA-N 0 3 285.348 -1.501 20 0 CAADHN COc1coc(C(=O)N[C@H](C)CNCC(N)=O)cc1=O ZINC001401642436 889176166 /nfs/dbraw/zinc/17/61/66/889176166.db2.gz XPSPALLKCJPBRE-SSDOTTSWSA-N 0 3 283.284 -1.158 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001401613514 889166800 /nfs/dbraw/zinc/16/68/00/889166800.db2.gz VOQQLQGGVBXPPH-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)Cn1cnnn1 ZINC001401603796 889166985 /nfs/dbraw/zinc/16/69/85/889166985.db2.gz LFCGVUGIGQBYNG-RKDXNWHRSA-N 0 3 283.336 -1.756 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001401622761 889170626 /nfs/dbraw/zinc/17/06/26/889170626.db2.gz SXRYDAOGFMPOMP-RKDXNWHRSA-N 0 3 285.348 -1.712 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CNCC(N)=O)c(Cl)n1 ZINC001401627544 889171542 /nfs/dbraw/zinc/17/15/42/889171542.db2.gz JIXIYSZFRDNXBA-LURJTMIESA-N 0 3 289.723 -1.761 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCCC(N)=O ZINC001401729314 889182586 /nfs/dbraw/zinc/18/25/86/889182586.db2.gz SEHDGUWDIPWFDU-DTWKUNHWSA-N 0 3 270.333 -1.375 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)c1cnnn1C ZINC001401744968 889182875 /nfs/dbraw/zinc/18/28/75/889182875.db2.gz DAYATOAGRGXAHG-NXEZZACHSA-N 0 3 285.348 -1.128 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001401829691 889187812 /nfs/dbraw/zinc/18/78/12/889187812.db2.gz JEPGYYUSJIOZGL-VHSXEESVSA-N 0 3 282.344 -1.518 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCNC(N)=O ZINC001401723918 889178699 /nfs/dbraw/zinc/17/86/99/889178699.db2.gz PSPFFQMVWPZPJS-YUMQZZPRSA-N 0 3 271.321 -1.972 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1cn[nH]c(=O)c1 ZINC001401686836 889179624 /nfs/dbraw/zinc/17/96/24/889179624.db2.gz IJTPWLLOHMLIPL-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN CNC(=O)NCCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001402056469 889199665 /nfs/dbraw/zinc/19/96/65/889199665.db2.gz GNSMLRCHGZUOQI-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)COC)C1 ZINC001402419195 889238227 /nfs/dbraw/zinc/23/82/27/889238227.db2.gz KMTWROKYLWGWAL-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@@H](CC(=O)NCC1(NCC(N)=O)CCC1)NC(N)=O ZINC001402547481 889248003 /nfs/dbraw/zinc/24/80/03/889248003.db2.gz SFLKRWVQQVNEQD-QMMMGPOBSA-N 0 3 285.348 -1.453 20 0 CAADHN CO[C@@H](C)CC(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001402557045 889249225 /nfs/dbraw/zinc/24/92/25/889249225.db2.gz RXIRNTSQHWEWTO-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN COCC(=O)N1CCO[C@H](CN[C@H](C)C(=O)N(C)C)C1 ZINC001402596950 889253896 /nfs/dbraw/zinc/25/38/96/889253896.db2.gz UCRUKYGYRVXFDZ-GHMZBOCLSA-N 0 3 287.360 -1.074 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)NCCF ZINC001402907064 889270190 /nfs/dbraw/zinc/27/01/90/889270190.db2.gz LXJWLZHBKYBZTB-MRVPVSSYSA-N 0 3 276.312 -1.698 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001403003797 889277923 /nfs/dbraw/zinc/27/79/23/889277923.db2.gz NUKMTEFZFDZECU-BBBLOLIVSA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N[C@H](C)C(=O)N(C)C ZINC001403075258 889282174 /nfs/dbraw/zinc/28/21/74/889282174.db2.gz QLUGCUXTSXTLNH-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](CNC(=O)[C@@H](C)CC(N)=O)NCCS(C)(=O)=O ZINC001403015156 889283145 /nfs/dbraw/zinc/28/31/45/889283145.db2.gz SXSSWCUWKOCTDT-DTWKUNHWSA-N 0 3 293.389 -1.363 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCc1cn(C)nn1)C(N)=O ZINC001403146189 889287645 /nfs/dbraw/zinc/28/76/45/889287645.db2.gz HHXJIJLPCJANJE-DTWKUNHWSA-N 0 3 282.348 -1.284 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001403548255 889310580 /nfs/dbraw/zinc/31/05/80/889310580.db2.gz RKLSFZXDLIPULI-SECBINFHSA-N 0 3 284.360 -1.353 20 0 CAADHN CC[C@@H](N[C@H](C)CN(C)C(=O)CNC(=O)NC)C(N)=O ZINC001403564406 889313222 /nfs/dbraw/zinc/31/32/22/889313222.db2.gz JUPRPWQYZOMBCU-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001403487025 889305407 /nfs/dbraw/zinc/30/54/07/889305407.db2.gz OWMVWDPDQQWUTM-SECBINFHSA-N 0 3 284.316 -1.149 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001403513415 889305992 /nfs/dbraw/zinc/30/59/92/889305992.db2.gz JYLKEALTLOUFSU-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN CN(C(=O)CCNC(N)=O)[C@H](CNCC(N)=O)C1CC1 ZINC001403503988 889307035 /nfs/dbraw/zinc/30/70/35/889307035.db2.gz ASAOKONXFVPFLY-SECBINFHSA-N 0 3 285.348 -1.643 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1cn(C)nn1 ZINC001403549560 889313958 /nfs/dbraw/zinc/31/39/58/889313958.db2.gz BOLKAYBIYPFVBO-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H](C)n1cncn1 ZINC001403542166 889314843 /nfs/dbraw/zinc/31/48/43/889314843.db2.gz UKGXCCZWEYXYEE-QWRGUYRKSA-N 0 3 285.348 -1.106 20 0 CAADHN CC[C@H](F)C(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001403710207 889357200 /nfs/dbraw/zinc/35/72/00/889357200.db2.gz YCLORFPRUWKMST-ZJUUUORDSA-N 0 3 290.339 -1.174 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001403739220 889359702 /nfs/dbraw/zinc/35/97/02/889359702.db2.gz JTAPKIJMFUNTGR-WCBMZHEXSA-N 0 3 270.333 -1.471 20 0 CAADHN CC(C)(C(=O)NC[C@H](CO)NCCO)S(C)(=O)=O ZINC001403723243 889355851 /nfs/dbraw/zinc/35/58/51/889355851.db2.gz DCVQBPBZXAWMOH-MRVPVSSYSA-N 0 3 282.362 -2.131 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cc1ccon1)C(N)=O ZINC001403821470 889372095 /nfs/dbraw/zinc/37/20/95/889372095.db2.gz DVYISVLGFHQPQO-WCBMZHEXSA-N 0 3 284.316 -1.500 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccncn1)C(N)=O ZINC001403877234 889383092 /nfs/dbraw/zinc/38/30/92/889383092.db2.gz SUEURXRMQQJZHV-RKDXNWHRSA-N 0 3 281.316 -1.627 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001403902367 889384794 /nfs/dbraw/zinc/38/47/94/889384794.db2.gz UIKCNSDSHFYXJI-WDEREUQCSA-N 0 3 287.360 -1.792 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001404335261 889402904 /nfs/dbraw/zinc/40/29/04/889402904.db2.gz ZXILYICUVUZKNH-QMMMGPOBSA-N 0 3 271.321 -2.148 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CN1CCOCC1 ZINC001404331229 889402915 /nfs/dbraw/zinc/40/29/15/889402915.db2.gz VHKUBPPOQPIIKR-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1)C(=O)N(C)C ZINC001404313030 889402932 /nfs/dbraw/zinc/40/29/32/889402932.db2.gz FHOXVURPOVVBEK-ZJUUUORDSA-N 0 3 299.375 -1.465 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CCN(C[C@H](C)O)C1 ZINC001405052341 889425737 /nfs/dbraw/zinc/42/57/37/889425737.db2.gz MJTTVBHATCDIST-VHSXEESVSA-N 0 3 293.389 -1.503 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)CNC(C)=O)C1 ZINC001405091528 889428435 /nfs/dbraw/zinc/42/84/35/889428435.db2.gz BBJYOJSFJILYEA-VXGBXAGGSA-N 0 3 287.360 -1.338 20 0 CAADHN CC[C@H](CNC(=O)CS(C)(=O)=O)N[C@H]1CCNC1=O ZINC001405213082 889437292 /nfs/dbraw/zinc/43/72/92/889437292.db2.gz YCGLASIEZAHMJB-BDAKNGLRSA-N 0 3 291.373 -1.596 20 0 CAADHN CC[C@@H](CNC(=O)c1ccn(C)c(=O)c1)NCC(N)=O ZINC001405248391 889441919 /nfs/dbraw/zinc/44/19/19/889441919.db2.gz AZFMWYLEOXTYOS-JTQLQIEISA-N 0 3 280.328 -1.031 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(N)=O)N[C@H]1CCNC1=O ZINC001405347895 889451766 /nfs/dbraw/zinc/45/17/66/889451766.db2.gz XEZNCSNFWPCWJR-IUCAKERBSA-N 0 3 285.348 -1.582 20 0 CAADHN CC[C@@H](CNC(=O)CS(=O)(=O)N(C)C)NCC(N)=O ZINC001405342063 889453599 /nfs/dbraw/zinc/45/35/99/889453599.db2.gz FEPKEBPWIDQSBQ-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)c1cnnn1C ZINC001405812684 889470978 /nfs/dbraw/zinc/47/09/78/889470978.db2.gz OXLHUIATUCQTJK-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)c1ncn(C)n1 ZINC001405800554 889471050 /nfs/dbraw/zinc/47/10/50/889471050.db2.gz CCUDVOHJUCALCJ-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001405912235 889471250 /nfs/dbraw/zinc/47/12/50/889471250.db2.gz APSRTGDTJLOVPU-RKDXNWHRSA-N 0 3 286.332 -1.299 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H](C)NC(N)=O)CCCC1 ZINC001405753427 889468957 /nfs/dbraw/zinc/46/89/57/889468957.db2.gz IZWITUNLBODWCG-VIFPVBQESA-N 0 3 299.375 -1.192 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001405912203 889470956 /nfs/dbraw/zinc/47/09/56/889470956.db2.gz APSRTGDTJLOVPU-IUCAKERBSA-N 0 3 286.332 -1.299 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001406189747 889477356 /nfs/dbraw/zinc/47/73/56/889477356.db2.gz NXBDSRSICOHBAO-VIFPVBQESA-N 0 3 283.332 -1.432 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccncc1F)C(N)=O ZINC001406219787 889487630 /nfs/dbraw/zinc/48/76/30/889487630.db2.gz UKONXVGROHSHGU-YUMQZZPRSA-N 0 3 284.291 -1.225 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001406055360 889475685 /nfs/dbraw/zinc/47/56/85/889475685.db2.gz XDOQASICTNDKMC-DTWKUNHWSA-N 0 3 285.348 -1.774 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NC[C@H](O)CNCC(N)=O ZINC001406265714 889500926 /nfs/dbraw/zinc/50/09/26/889500926.db2.gz ZTYLQFIMTVZQGT-BDAKNGLRSA-N 0 3 274.321 -2.547 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccon1 ZINC001406224977 889491753 /nfs/dbraw/zinc/49/17/53/889491753.db2.gz UDGRISFPCOGSNS-QMMMGPOBSA-N 0 3 270.289 -1.509 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccnn1C ZINC001406225935 889493399 /nfs/dbraw/zinc/49/33/99/889493399.db2.gz YOWFVKHIAOIHDK-VIFPVBQESA-N 0 3 283.332 -1.811 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406388331 889518140 /nfs/dbraw/zinc/51/81/40/889518140.db2.gz URMYUTIZKYDDQZ-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001406332885 889509158 /nfs/dbraw/zinc/50/91/58/889509158.db2.gz RNOLDDXKUYJQST-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H](C)CC(N)=O ZINC001406321156 889510818 /nfs/dbraw/zinc/51/08/18/889510818.db2.gz ZHCRFYMUGQNZFQ-DTWKUNHWSA-N 0 3 272.349 -1.190 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CCNC(=O)NC)C(N)=O ZINC001406347682 889513377 /nfs/dbraw/zinc/51/33/77/889513377.db2.gz BARSCEJYZDERLT-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001406415489 889521941 /nfs/dbraw/zinc/52/19/41/889521941.db2.gz FRFIHQGIKKHANO-KXUCPTDWSA-N 0 3 282.344 -1.410 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cccn(C)c1=O ZINC001406419060 889522217 /nfs/dbraw/zinc/52/22/17/889522217.db2.gz OKVVMYMYIMQPEA-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)CC1=O ZINC001407353981 889563156 /nfs/dbraw/zinc/56/31/56/889563156.db2.gz WMAJUDFSYDAHGG-GWCFXTLKSA-N 0 3 285.344 -1.990 20 0 CAADHN COC[C@H](OC)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001407372835 889567539 /nfs/dbraw/zinc/56/75/39/889567539.db2.gz XZJGKKLZYBWVPN-JQWIXIFHSA-N 0 3 276.333 -1.807 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001407108254 889553225 /nfs/dbraw/zinc/55/32/25/889553225.db2.gz HYUPQDWQGWHANK-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)OC)CCO1 ZINC001407828435 889590589 /nfs/dbraw/zinc/59/05/89/889590589.db2.gz HTZKSLNYSWUPHC-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)CCCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001407856761 889591593 /nfs/dbraw/zinc/59/15/93/889591593.db2.gz SLJOKSGIZUQTMY-VIFPVBQESA-N 0 3 286.332 -2.056 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001407841509 889592590 /nfs/dbraw/zinc/59/25/90/889592590.db2.gz PLPDYEVCJVBNQK-MWLCHTKSSA-N 0 3 273.333 -1.694 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001409353869 889632405 /nfs/dbraw/zinc/63/24/05/889632405.db2.gz ICHXMHJVILKMTG-IUCAKERBSA-N 0 3 286.332 -2.187 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CNC(C)=O ZINC001409313673 889632539 /nfs/dbraw/zinc/63/25/39/889632539.db2.gz KRGUDYDWAJYFCZ-DTWKUNHWSA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O ZINC001410395315 889674451 /nfs/dbraw/zinc/67/44/51/889674451.db2.gz NYTQEUQTQZHIQG-JGVFFNPUSA-N 0 3 273.337 -1.774 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001410987007 889724594 /nfs/dbraw/zinc/72/45/94/889724594.db2.gz RHRVWTRQNIJZKA-DTWKUNHWSA-N 0 3 288.348 -2.205 20 0 CAADHN CO[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001410982275 889726628 /nfs/dbraw/zinc/72/66/28/889726628.db2.gz MWDQQENHURLPCQ-SFYZADRCSA-N 0 3 290.320 -2.375 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CNCC(=O)N1CCC1 ZINC001410968625 889727076 /nfs/dbraw/zinc/72/70/76/889727076.db2.gz CRSKHZJFTXOQCP-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001411063673 889727976 /nfs/dbraw/zinc/72/79/76/889727976.db2.gz KFLXUGGMMJPSJE-YUMQZZPRSA-N 0 3 285.308 -3.044 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001411096264 889732832 /nfs/dbraw/zinc/73/28/32/889732832.db2.gz COJXLQLOTGZBRF-SFYZADRCSA-N 0 3 284.320 -2.289 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001411168648 889740768 /nfs/dbraw/zinc/74/07/68/889740768.db2.gz JFMJIDXIMGLDKU-LBPRGKRZSA-N 0 3 284.360 -1.294 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001411177339 889742669 /nfs/dbraw/zinc/74/26/69/889742669.db2.gz CLNZNCVGUFEIJS-DTWKUNHWSA-N 0 3 274.321 -2.589 20 0 CAADHN C[C@H](C(=O)NCc1n[nH]c(CO)n1)N1CCN(C)CC1 ZINC001412362667 889816323 /nfs/dbraw/zinc/81/63/23/889816323.db2.gz HRCGBLVEGZKSLT-SECBINFHSA-N 0 3 282.348 -1.451 20 0 CAADHN C[C@@H]1CN(CCO)CCN1CCCC(=O)NC(N)=O ZINC001412994247 889919941 /nfs/dbraw/zinc/91/99/41/889919941.db2.gz KRTSDUKJEXLQAC-SNVBAGLBSA-N 0 3 272.349 -1.040 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@@H]2CNC(=O)C2)C1 ZINC001413862979 890020614 /nfs/dbraw/zinc/02/06/14/890020614.db2.gz YIQKYVBEEPBZHL-CABZTGNLSA-N 0 3 270.333 -1.512 20 0 CAADHN OC[C@@H]1CN(C[C@@H](O)CC2(O)CCOCC2)CC[C@@H]1O ZINC001413999233 890036432 /nfs/dbraw/zinc/03/64/32/890036432.db2.gz KTIALVFSMQOPEV-AVGNSLFASA-N 0 3 289.372 -1.046 20 0 CAADHN O=C(CO)NCCC(=O)NC[C@H]1CCCCN1CCO ZINC001417875811 890173557 /nfs/dbraw/zinc/17/35/57/890173557.db2.gz YNPIMAYIQRRRIP-LLVKDONJSA-N 0 3 287.360 -1.552 20 0 CAADHN CC(=O)NC[C@@H](NCC(=O)N1CCNC(=O)C1)C1CC1 ZINC001417961690 890181088 /nfs/dbraw/zinc/18/10/88/890181088.db2.gz ZUIMDIMWYISSIH-LLVKDONJSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)c1nnn(C)n1)C1CC1)C(N)=O ZINC001417992502 890185668 /nfs/dbraw/zinc/18/56/68/890185668.db2.gz VGMAVVGIWQPRPO-SVRRBLITSA-N 0 3 281.320 -1.818 20 0 CAADHN CCO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001418036664 890186137 /nfs/dbraw/zinc/18/61/37/890186137.db2.gz SXLZCXPKGUFKBA-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H](N[C@H]1C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C1)C(N)=O ZINC001418098922 890190553 /nfs/dbraw/zinc/19/05/53/890190553.db2.gz VWVZTYDPXKGZCP-XSPKLOCKSA-N 0 3 291.373 -1.470 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001418211816 890196210 /nfs/dbraw/zinc/19/62/10/890196210.db2.gz TUIWVQULIWFHRU-SFYZADRCSA-N 0 3 272.305 -1.675 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001418200267 890197468 /nfs/dbraw/zinc/19/74/68/890197468.db2.gz ISTOJUQOGIBCSQ-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@@H](CNC(=O)CCCC(N)=O)N[C@@H]1CCNC1=O ZINC001418319931 890208705 /nfs/dbraw/zinc/20/87/05/890208705.db2.gz GJAFHBQYZKUCTF-DTWKUNHWSA-N 0 3 270.333 -1.375 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001418330290 890211947 /nfs/dbraw/zinc/21/19/47/890211947.db2.gz KWCRXLYRVQCSOY-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1nnn(C)c1C ZINC001418446901 890220608 /nfs/dbraw/zinc/22/06/08/890220608.db2.gz BSDXPYYPGFPTLW-SNVBAGLBSA-N 0 3 285.348 -1.208 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN(C)C[C@@H](C)O ZINC001418470447 890228006 /nfs/dbraw/zinc/22/80/06/890228006.db2.gz LODTZCXIODZRKJ-SECBINFHSA-N 0 3 288.348 -2.333 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001418493217 890228830 /nfs/dbraw/zinc/22/88/30/890228830.db2.gz YJROPYAPTCCPOT-SECBINFHSA-N 0 3 286.332 -1.205 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001418806391 890263165 /nfs/dbraw/zinc/26/31/65/890263165.db2.gz BPCKIFFPPOIXKI-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@@H]1CCC(=O)N1)C(N)=O ZINC001418832402 890268261 /nfs/dbraw/zinc/26/82/61/890268261.db2.gz OELBSPYCFCLXLS-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@@]2(CO)COCCN2)C1 ZINC001418953379 890276084 /nfs/dbraw/zinc/27/60/84/890276084.db2.gz QZOAGKCRWUZRQG-DGCLKSJQSA-N 0 3 271.361 -1.205 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCN(CCCO)C1 ZINC001419113873 890303474 /nfs/dbraw/zinc/30/34/74/890303474.db2.gz MVFLMIKGEXSTNR-UWVGGRQHSA-N 0 3 272.349 -1.042 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)NCC(N)=O ZINC001419278566 890314842 /nfs/dbraw/zinc/31/48/42/890314842.db2.gz FEWDOFUQLJYCML-JGVFFNPUSA-N 0 3 292.361 -2.352 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001419403061 890323459 /nfs/dbraw/zinc/32/34/59/890323459.db2.gz DJHUDBURUPVIKO-WCBMZHEXSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001419424021 890325660 /nfs/dbraw/zinc/32/56/60/890325660.db2.gz TWQYYNTUECMIAX-MNOVXSKESA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CNC(C)=O ZINC001419402721 890325969 /nfs/dbraw/zinc/32/59/69/890325969.db2.gz ABCHSFJASPKNEI-SNVBAGLBSA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CNC(=O)NC ZINC001419670027 890340036 /nfs/dbraw/zinc/34/00/36/890340036.db2.gz WXCOCPJFTCNCSI-MRVPVSSYSA-N 0 3 273.337 -1.902 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCCC(N)=O ZINC001419772620 890356156 /nfs/dbraw/zinc/35/61/56/890356156.db2.gz OASDCDFNUDAJIQ-IUCAKERBSA-N 0 3 272.349 -1.048 20 0 CAADHN O=C(COCC1CC1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420104881 890383081 /nfs/dbraw/zinc/38/30/81/890383081.db2.gz JYIGTWAZJIECAC-MNOVXSKESA-N 0 3 285.344 -1.632 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CN1CCCC1=O ZINC001420117032 890389321 /nfs/dbraw/zinc/38/93/21/890389321.db2.gz YGUMSETXJVUEKY-QMMMGPOBSA-N 0 3 272.305 -2.839 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnnn1C)C(N)=O ZINC001420125635 890394026 /nfs/dbraw/zinc/39/40/26/890394026.db2.gz OGKPFPCLMXOZCY-SFYZADRCSA-N 0 3 284.320 -2.241 20 0 CAADHN Cc1cnccc1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001420127003 890400665 /nfs/dbraw/zinc/40/06/65/890400665.db2.gz MSMKZPSRNBAWQY-LLVKDONJSA-N 0 3 280.328 -1.515 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1conc1C1CC1 ZINC001420176282 890406973 /nfs/dbraw/zinc/40/69/73/890406973.db2.gz PGYRDIVURIELEC-MRVPVSSYSA-N 0 3 282.300 -1.282 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)CC(N)=O ZINC001420168705 890407494 /nfs/dbraw/zinc/40/74/94/890407494.db2.gz YCUJVFKZQFXLBB-JGVFFNPUSA-N 0 3 274.321 -2.689 20 0 CAADHN COCc1cc(C(=O)NC[C@H](O)CNCC(N)=O)no1 ZINC001420178218 890407535 /nfs/dbraw/zinc/40/75/35/890407535.db2.gz DMSZXZSWJYTYMO-SSDOTTSWSA-N 0 3 286.288 -2.013 20 0 CAADHN CCCn1cc(C(=O)NC[C@H](O)CNCC(N)=O)nn1 ZINC001420182151 890410552 /nfs/dbraw/zinc/41/05/52/890410552.db2.gz GFZUJAZSZLTMNB-MRVPVSSYSA-N 0 3 284.320 -2.146 20 0 CAADHN C[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)c1cccnc1 ZINC001420190738 890411947 /nfs/dbraw/zinc/41/19/47/890411947.db2.gz FGJQHJJFCJXATH-ONGXEEELSA-N 0 3 280.328 -1.263 20 0 CAADHN CC(C)n1cc(C(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001420191177 890412207 /nfs/dbraw/zinc/41/22/07/890412207.db2.gz LKMVRRKUQYDEFK-JTQLQIEISA-N 0 3 283.332 -1.370 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)c1c[nH]c(=O)cn1 ZINC001420246268 890420346 /nfs/dbraw/zinc/42/03/46/890420346.db2.gz ZOTGDBFOXOPSBG-QMMMGPOBSA-N 0 3 281.316 -1.305 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001420242583 890421533 /nfs/dbraw/zinc/42/15/33/890421533.db2.gz QURZYYJOENRGLM-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN CC1(C)CO[C@H](CC(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001420277646 890426269 /nfs/dbraw/zinc/42/62/69/890426269.db2.gz WOTJPUFBEIZQOE-NXEZZACHSA-N 0 3 287.360 -1.256 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001420283468 890426496 /nfs/dbraw/zinc/42/64/96/890426496.db2.gz XARKUARBTRYVRZ-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCNCC1 ZINC000923605360 883996502 /nfs/dbraw/zinc/99/65/02/883996502.db2.gz OPNKYXVTLSAMQP-SNVBAGLBSA-N 0 3 290.389 -1.407 20 0 CAADHN COC(=O)CSCCNS(=O)(=O)C1CNC1 ZINC000923605629 883996565 /nfs/dbraw/zinc/99/65/65/883996565.db2.gz GQVLYMRSAYFFGY-UHFFFAOYSA-N 0 3 268.360 -1.216 20 0 CAADHN C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)N1CCNCC1 ZINC000923629292 883996676 /nfs/dbraw/zinc/99/66/76/883996676.db2.gz SJTBRNCIXCUURX-VIFPVBQESA-N 0 3 299.418 -1.451 20 0 CAADHN O=S(=O)(NCCOC[C@H]1CCCO1)N1CCNCC1 ZINC000923613942 883996946 /nfs/dbraw/zinc/99/69/46/883996946.db2.gz ORTDXVUDKPSGOM-LLVKDONJSA-N 0 3 293.389 -1.078 20 0 CAADHN C[C@H]1CCCN1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000938821646 883999137 /nfs/dbraw/zinc/99/91/37/883999137.db2.gz REJANRIJGUEISX-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000974391835 884003173 /nfs/dbraw/zinc/00/31/73/884003173.db2.gz JXVUZEQMDCVASH-BBBLOLIVSA-N 0 3 282.344 -1.423 20 0 CAADHN O=S(=O)(C1CNC1)N1CCN(c2cccnn2)CC1 ZINC000923605841 883996378 /nfs/dbraw/zinc/99/63/78/883996378.db2.gz NAARNXHZOIKSKP-UHFFFAOYSA-N 0 3 283.357 -1.100 20 0 CAADHN Cn1cc(CN2CCN(S(=O)(=O)C3CNC3)CC2)cn1 ZINC000923605049 883996131 /nfs/dbraw/zinc/99/61/31/883996131.db2.gz BJFTYYJJVBNCDK-UHFFFAOYSA-N 0 3 299.400 -1.161 20 0 CAADHN C[C@H](NS(=O)(=O)C1CNC1)[C@H](C)N1CCOCC1 ZINC000923606527 883996163 /nfs/dbraw/zinc/99/61/63/883996163.db2.gz PDZNXAYNZAOSOC-UWVGGRQHSA-N 0 3 277.390 -1.013 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)C1CNC1 ZINC000923629574 883997061 /nfs/dbraw/zinc/99/70/61/883997061.db2.gz CQMFDTPSOZZLDL-MRVPVSSYSA-N 0 3 297.402 -1.698 20 0 CAADHN CCNC(=O)N1CC[C@H](NS(=O)(=O)C2CNC2)C1 ZINC000923627686 883997308 /nfs/dbraw/zinc/99/73/08/883997308.db2.gz HUMRPHWWXRUFFY-QMMMGPOBSA-N 0 3 276.362 -1.319 20 0 CAADHN CCNC(=O)N1CC[C@@H](NS(=O)(=O)C2CNC2)C1 ZINC000923627683 883997343 /nfs/dbraw/zinc/99/73/43/883997343.db2.gz HUMRPHWWXRUFFY-MRVPVSSYSA-N 0 3 276.362 -1.319 20 0 CAADHN O=S(=O)(NCCOC[C@@H]1CCCO1)N1CCNCC1 ZINC000923613945 883997851 /nfs/dbraw/zinc/99/78/51/883997851.db2.gz ORTDXVUDKPSGOM-NSHDSACASA-N 0 3 293.389 -1.078 20 0 CAADHN O=S(=O)(C1CNC1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000923611910 883997881 /nfs/dbraw/zinc/99/78/81/883997881.db2.gz FPZGXCSKXDWBJW-VIFPVBQESA-N 0 3 287.345 -1.720 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986752054 884004955 /nfs/dbraw/zinc/00/49/55/884004955.db2.gz XKXONXASYGOVIF-SFYZADRCSA-N 0 3 279.300 -1.552 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986752053 884005043 /nfs/dbraw/zinc/00/50/43/884005043.db2.gz XKXONXASYGOVIF-JGVFFNPUSA-N 0 3 279.300 -1.552 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)COc1cnn(C)c1 ZINC000986745005 884005374 /nfs/dbraw/zinc/00/53/74/884005374.db2.gz CDRXEIVIRURYHN-MWLCHTKSSA-N 0 3 295.343 -1.137 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)COc1cnn(C)c1 ZINC000986745006 884005565 /nfs/dbraw/zinc/00/55/65/884005565.db2.gz CDRXEIVIRURYHN-ONGXEEELSA-N 0 3 295.343 -1.137 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCN1CCOCC1 ZINC000987191435 884006533 /nfs/dbraw/zinc/00/65/33/884006533.db2.gz LXVURONZQKEUME-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC000987181434 884006969 /nfs/dbraw/zinc/00/69/69/884006969.db2.gz VNUMKTNYXFSAEV-CBAPKCEASA-N 0 3 296.327 -1.897 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CC(=O)NC1=O ZINC000987187040 884007147 /nfs/dbraw/zinc/00/71/47/884007147.db2.gz AEKGEUVFGRPSKB-HTQZYQBOSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1nc[n-]n1 ZINC000987204470 884007768 /nfs/dbraw/zinc/00/77/68/884007768.db2.gz SUZSAVWCLWVRKQ-BQBZGAKWSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCN1CCOCC1 ZINC000987191440 884007941 /nfs/dbraw/zinc/00/79/41/884007941.db2.gz LXVURONZQKEUME-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)c2cnnn2C)C1 ZINC001022030453 884011349 /nfs/dbraw/zinc/01/13/49/884011349.db2.gz RGZGYPBFSDRCEZ-DTORHVGOSA-N 0 3 290.331 -1.006 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001022033764 884012392 /nfs/dbraw/zinc/01/23/92/884012392.db2.gz FKFJUSLOVNQMPX-XKSSXDPKSA-N 0 3 294.315 -1.340 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001022033763 884013829 /nfs/dbraw/zinc/01/38/29/884013829.db2.gz FKFJUSLOVNQMPX-KHQFGBGNSA-N 0 3 294.315 -1.340 20 0 CAADHN Cn1cnc(C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)n1 ZINC001022043295 884014286 /nfs/dbraw/zinc/01/42/86/884014286.db2.gz CUQZPIRWRBHGRM-DTORHVGOSA-N 0 3 290.331 -1.006 20 0 CAADHN Cc1nnc(CN[C@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)[nH]1 ZINC001047949016 884018990 /nfs/dbraw/zinc/01/89/90/884018990.db2.gz APFRXHCCJMTINR-VXNVDRBHSA-N 0 3 280.332 -1.075 20 0 CAADHN Cc1nnc(CN[C@@H](C)[C@@H]2CCN(C(=O)C(N)=O)C2)[nH]1 ZINC001047949014 884019075 /nfs/dbraw/zinc/01/90/75/884019075.db2.gz APFRXHCCJMTINR-IONNQARKSA-N 0 3 280.332 -1.075 20 0 CAADHN O=C(CN1CCOCC1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075710074 884024899 /nfs/dbraw/zinc/02/48/99/884024899.db2.gz WQFHFNYYIYYWDM-QWHCGFSZSA-N 0 3 283.372 -1.156 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@H]1COC(=O)N1 ZINC001083439433 884026923 /nfs/dbraw/zinc/02/69/23/884026923.db2.gz BPQCJSIYQDOCDR-BBBLOLIVSA-N 0 3 269.301 -1.334 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083434204 884027510 /nfs/dbraw/zinc/02/75/10/884027510.db2.gz WEVKPSYAUIWXDL-UTLUCORTSA-N 0 3 271.317 -1.088 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083433763 884028889 /nfs/dbraw/zinc/02/88/89/884028889.db2.gz BGEQZDIDSWFZNA-VGMNWLOBSA-N 0 3 257.290 -1.334 20 0 CAADHN CCCN1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001083653801 884033057 /nfs/dbraw/zinc/03/30/57/884033057.db2.gz DYLPGPKKBVYRRP-KOLCDFICSA-N 0 3 280.328 -1.035 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)CCN1CCO ZINC001088977845 884036471 /nfs/dbraw/zinc/03/64/71/884036471.db2.gz QFIZYMUDGKWKAF-ZJUUUORDSA-N 0 3 298.343 -1.548 20 0 CAADHN CCS(=O)(=O)CC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001152377767 884064412 /nfs/dbraw/zinc/06/44/12/884064412.db2.gz YDJQROSHYFCYLB-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN(CCOC[C@H]3CCCO3)C[C@H]21 ZINC001114752695 884046017 /nfs/dbraw/zinc/04/60/17/884046017.db2.gz JSLPBYIYDYNWSW-WYUUTHIRSA-N 0 3 297.355 -1.286 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001115219414 884048646 /nfs/dbraw/zinc/04/86/46/884048646.db2.gz XNCDEPKHXHYNGW-LOKLDPHHSA-N 0 3 295.343 -2.020 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115221861 884048566 /nfs/dbraw/zinc/04/85/66/884048566.db2.gz YHYYDYFSYRBYKE-MBTKJCJQSA-N 0 3 256.306 -1.917 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cnns1 ZINC001124163519 884053121 /nfs/dbraw/zinc/05/31/21/884053121.db2.gz OBAOBYCCAOFAFW-LURJTMIESA-N 0 3 283.313 -1.337 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cnsn1 ZINC001124160011 884053335 /nfs/dbraw/zinc/05/33/35/884053335.db2.gz ZBWGPECFTJJJLG-ZCFIWIBFSA-N 0 3 283.313 -1.337 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnns1 ZINC001124163438 884053368 /nfs/dbraw/zinc/05/33/68/884053368.db2.gz MHNUORPAQGOVLO-LURJTMIESA-N 0 3 257.319 -1.008 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)CNC(=O)OC ZINC001124171720 884054225 /nfs/dbraw/zinc/05/42/25/884054225.db2.gz AAFWWYYRARVJOM-UHFFFAOYSA-N 0 3 288.348 -1.036 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnns1 ZINC001124163531 884053939 /nfs/dbraw/zinc/05/39/39/884053939.db2.gz OEDNFKJLUOOFLT-UHFFFAOYSA-N 0 3 286.317 -1.687 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNC(=O)OC ZINC001124172323 884053971 /nfs/dbraw/zinc/05/39/71/884053971.db2.gz KYSQNFJCGWAEIK-UHFFFAOYSA-N 0 3 260.294 -1.816 20 0 CAADHN C[C@@H](C(=O)NCCN[C@@H]1CCN(C)C1=O)n1cncn1 ZINC001125919228 884054969 /nfs/dbraw/zinc/05/49/69/884054969.db2.gz VDTNNFHZDPJMMY-VHSXEESVSA-N 0 3 280.332 -1.224 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)N(C)C)n1cncn1 ZINC001125918340 884055334 /nfs/dbraw/zinc/05/53/34/884055334.db2.gz MTHSPZRXIJQROC-SECBINFHSA-N 0 3 268.321 -1.367 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)n1cncn1 ZINC001125918599 884055603 /nfs/dbraw/zinc/05/56/03/884055603.db2.gz OVFRBORAGKQDIO-JGVFFNPUSA-N 0 3 297.319 -1.872 20 0 CAADHN Cc1nnc(CC(=O)NCCN[C@H]2CCCNC2=O)o1 ZINC001126668196 884055701 /nfs/dbraw/zinc/05/57/01/884055701.db2.gz XXRJKDRHLRBVQW-VIFPVBQESA-N 0 3 281.316 -1.095 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)NCC2CC2)nn1 ZINC001126668127 884056569 /nfs/dbraw/zinc/05/65/69/884056569.db2.gz WNDIMDOSBOOYJD-UHFFFAOYSA-N 0 3 280.332 -1.339 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCOCC1 ZINC001126432656 884057065 /nfs/dbraw/zinc/05/70/65/884057065.db2.gz SRCDSHYKRRDESS-VIFPVBQESA-N 0 3 286.332 -1.296 20 0 CAADHN Cc1nnc(CC(=O)NCCNCC(=O)N2CCC2)o1 ZINC001126658895 884057102 /nfs/dbraw/zinc/05/71/02/884057102.db2.gz XTGRPSTYYCKDDN-UHFFFAOYSA-N 0 3 281.316 -1.141 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H](C)n1cncn1)C(N)=O ZINC001125919223 884057575 /nfs/dbraw/zinc/05/75/75/884057575.db2.gz VBZOODXWQJWXCS-RKDXNWHRSA-N 0 3 268.321 -1.191 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127648187 884059142 /nfs/dbraw/zinc/05/91/42/884059142.db2.gz IRADZPKAMAJLCT-UHFFFAOYSA-N 0 3 283.292 -3.171 20 0 CAADHN NC(=O)c1ncn(CC(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001127653030 884059658 /nfs/dbraw/zinc/05/96/58/884059658.db2.gz JMJZLJCYVHNNBD-ZETCQYMHSA-N 0 3 295.303 -3.029 20 0 CAADHN C[C@H](NC(=O)C1CCC1)C(=O)NCCN[C@@H]1CCNC1=O ZINC001153693132 884063107 /nfs/dbraw/zinc/06/31/07/884063107.db2.gz PKPDDYQORUZMJW-GXSJLCMTSA-N 0 3 296.371 -1.115 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)C1 ZINC001151739357 884063850 /nfs/dbraw/zinc/06/38/50/884063850.db2.gz LFHOVCORXVWOMZ-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)N(C)C2)C1=O ZINC001152510798 884064348 /nfs/dbraw/zinc/06/43/48/884064348.db2.gz XDYJRXORPKEPRK-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001188132462 884068619 /nfs/dbraw/zinc/06/86/19/884068619.db2.gz FUBFMVNFERMKEO-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001188112264 884068649 /nfs/dbraw/zinc/06/86/49/884068649.db2.gz PJSHYKQSVQUYSG-DTWKUNHWSA-N 0 3 299.375 -1.242 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001188125634 884068578 /nfs/dbraw/zinc/06/85/78/884068578.db2.gz OOCNVIQSRYQPFX-SECBINFHSA-N 0 3 291.373 -1.642 20 0 CAADHN COCC(=O)NCCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001188118384 884068738 /nfs/dbraw/zinc/06/87/38/884068738.db2.gz AZIDKTLDOPJHSH-NWDGAFQWSA-N 0 3 299.371 -1.336 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)CC(N)=O ZINC001206721075 884077589 /nfs/dbraw/zinc/07/75/89/884077589.db2.gz OOIJGNHRZZZTBI-NXEZZACHSA-N 0 3 273.333 -1.693 20 0 CAADHN NC(=O)C[NH2+]CC1CCN(C(=O)c2nc[n-]n2)CC1 ZINC001206636194 884077857 /nfs/dbraw/zinc/07/78/57/884077857.db2.gz WSSVCTHPZWDKJA-UHFFFAOYSA-N 0 3 266.305 -1.268 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)CCNCC(=O)N1CCC1 ZINC001266800419 884087809 /nfs/dbraw/zinc/08/78/09/884087809.db2.gz WHQZKPUTIQJKMF-JTQLQIEISA-N 0 3 284.360 -1.222 20 0 CAADHN CCCC[C@H](N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(N)=O ZINC001263704497 884086108 /nfs/dbraw/zinc/08/61/08/884086108.db2.gz ZBNMCHBQENDLLJ-KXUCPTDWSA-N 0 3 284.360 -1.048 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H](OC)c1cnn(C)c1 ZINC001266789136 884087391 /nfs/dbraw/zinc/08/73/91/884087391.db2.gz OURCTQZWMVZXPN-LBPRGKRZSA-N 0 3 297.359 -1.098 20 0 CAADHN CN(CCNCC(N)=O)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001266764982 884087632 /nfs/dbraw/zinc/08/76/32/884087632.db2.gz LZOVVWGIJVQRHQ-UHFFFAOYSA-N 0 3 283.288 -2.518 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001266779391 884088854 /nfs/dbraw/zinc/08/88/54/884088854.db2.gz KNARFWUOGWWBMB-ULHKAFAUSA-N 0 3 267.329 -1.057 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cnn(CCF)c1 ZINC001266754454 884089252 /nfs/dbraw/zinc/08/92/52/884089252.db2.gz QPASDZYDVWGIMP-UHFFFAOYSA-N 0 3 271.296 -1.001 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)CCNCC(=O)N1CCC1 ZINC001266800420 884089011 /nfs/dbraw/zinc/08/90/11/884089011.db2.gz WHQZKPUTIQJKMF-SNVBAGLBSA-N 0 3 284.360 -1.222 20 0 CAADHN NC(=O)C(=O)NC[C@@H](O)CNCc1cc(CO)ccc1F ZINC001268324206 884090091 /nfs/dbraw/zinc/09/00/91/884090091.db2.gz STUFGSDOPOCZOT-JTQLQIEISA-N 0 3 299.302 -1.630 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001268300168 884092842 /nfs/dbraw/zinc/09/28/42/884092842.db2.gz GNFIBHIHWLSACG-MRVPVSSYSA-N 0 3 269.305 -2.154 20 0 CAADHN NC(=O)C(=O)NC[C@H](O)CNCc1cc(CO)ccc1F ZINC001268324207 884093263 /nfs/dbraw/zinc/09/32/63/884093263.db2.gz STUFGSDOPOCZOT-SNVBAGLBSA-N 0 3 299.302 -1.630 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnco1)C(N)=O ZINC001268319413 884093316 /nfs/dbraw/zinc/09/33/16/884093316.db2.gz XPWUGMMHTIKJRN-BQBZGAKWSA-N 0 3 256.262 -1.771 20 0 CAADHN CCCOCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001268302256 884093435 /nfs/dbraw/zinc/09/34/35/884093435.db2.gz WNFMJJOMKJXPQP-NXEZZACHSA-N 0 3 273.333 -1.632 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCC(=O)NC1=O)c1cocn1 ZINC001268301804 884093466 /nfs/dbraw/zinc/09/34/66/884093466.db2.gz UWMGUNMWSJLODT-SFYZADRCSA-N 0 3 296.283 -1.840 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCC(=O)NC1=O)c1cocn1 ZINC001268301806 884093562 /nfs/dbraw/zinc/09/35/62/884093562.db2.gz UWMGUNMWSJLODT-YUMQZZPRSA-N 0 3 296.283 -1.840 20 0 CAADHN CN1CC[C@H](NC/C=C/CNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001273990217 884099445 /nfs/dbraw/zinc/09/94/45/884099445.db2.gz CEJIAZVPWIXQMG-MDCNRGEUSA-N 0 3 296.327 -1.413 20 0 CAADHN CCN1C[C@H](C(=O)NC/C=C/CN[C@@H](C)C(N)=O)CC1=O ZINC001274076761 884099735 /nfs/dbraw/zinc/09/97/35/884099735.db2.gz UKLPSRKJEBPPPU-BXXZLRJFSA-N 0 3 296.371 -1.009 20 0 CAADHN CCN1C[C@H](C(=O)NC/C=C\CN[C@@H](C)C(N)=O)CC1=O ZINC001274076762 884099916 /nfs/dbraw/zinc/09/99/16/884099916.db2.gz UKLPSRKJEBPPPU-NRFYAWERSA-N 0 3 296.371 -1.009 20 0 CAADHN CN1CC[C@H](NC/C=C\CNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001273990221 884100528 /nfs/dbraw/zinc/10/05/28/884100528.db2.gz CEJIAZVPWIXQMG-YLBDSCSXSA-N 0 3 296.327 -1.413 20 0 CAADHN NC(=O)C(=O)NC1(CN[C@@H]2CCCNC2=O)CCOCC1 ZINC001273996009 884101058 /nfs/dbraw/zinc/10/10/58/884101058.db2.gz WFDPISDPDJEFCP-SECBINFHSA-N 0 3 298.343 -1.995 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1nnn(C)n1 ZINC001273554180 884101357 /nfs/dbraw/zinc/10/13/57/884101357.db2.gz HOEOBARCSAFDQL-UHFFFAOYSA-N 0 3 255.282 -2.253 20 0 CAADHN C[C@@H](NCC1(NC(=O)C(N)=O)CCOCC1)C(N)=O ZINC001273994915 884101384 /nfs/dbraw/zinc/10/13/84/884101384.db2.gz IQRYQSOPMBBQSD-SSDOTTSWSA-N 0 3 272.305 -2.400 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1COC(=O)N1 ZINC001273989967 884101395 /nfs/dbraw/zinc/10/13/95/884101395.db2.gz BATCTMRRLWYJDJ-DXMIZCBPSA-N 0 3 284.316 -1.509 20 0 CAADHN CC(C)(C(N)=O)C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001278100017 884106046 /nfs/dbraw/zinc/10/60/46/884106046.db2.gz RSPHTPRWMZFYAT-SECBINFHSA-N 0 3 298.347 -2.144 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C1CC1 ZINC001278721336 884108114 /nfs/dbraw/zinc/10/81/14/884108114.db2.gz OEHQVJOMOPESOL-WPRPVWTQSA-N 0 3 257.334 -1.060 20 0 CAADHN CC(=O)N1C[C@H]2CN(c3nc(N)nc(N)n3)C[C@H]2C1 ZINC001307196640 884119211 /nfs/dbraw/zinc/11/92/11/884119211.db2.gz XIRMJCBALYWHDU-OCAPTIKFSA-N 0 3 263.305 -1.050 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@@H](O)[C@H](CO)C1 ZINC001306854633 884121048 /nfs/dbraw/zinc/12/10/48/884121048.db2.gz MEGUYJCVVJJOID-SDDRHHMPSA-N 0 3 269.345 -1.812 20 0 CAADHN NC(=O)[C@H]1CN(C[C@@H](O)C(F)(F)F)C[C@H]1C(N)=O ZINC001307930318 884127703 /nfs/dbraw/zinc/12/77/03/884127703.db2.gz RCRSUZZNRPUZHQ-NGJCXOISSA-N 0 3 269.223 -1.572 20 0 CAADHN COC(=O)[C@@H]1OCC[C@@H]1NCCc1nnnn1C ZINC001307916842 884128186 /nfs/dbraw/zinc/12/81/86/884128186.db2.gz KLRGWQSBYRWWDP-IONNQARKSA-N 0 3 255.278 -1.327 20 0 CAADHN NC(=O)c1cn(C2CCN(C[C@@H](O)CO)CC2)nn1 ZINC001307935981 884128436 /nfs/dbraw/zinc/12/84/36/884128436.db2.gz GHFTVEHJVQUSCP-SECBINFHSA-N 0 3 269.305 -1.633 20 0 CAADHN CS(=O)(=O)NC[C@@H]1CCN(C[C@H](O)CO)C1 ZINC001308060148 884129028 /nfs/dbraw/zinc/12/90/28/884129028.db2.gz QXAJMJGAZKCVAQ-IUCAKERBSA-N 0 3 252.336 -1.789 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CC[C@H](CS(N)(=O)=O)C1 ZINC001308128248 884131885 /nfs/dbraw/zinc/13/18/85/884131885.db2.gz NJYJHDLFIUDXLL-CIUDSAMLSA-N 0 3 252.336 -1.662 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001316596918 884148711 /nfs/dbraw/zinc/14/87/11/884148711.db2.gz PSDQDFOUTVVMOZ-HTQZYQBOSA-N 0 3 266.305 -1.399 20 0 CAADHN CNC(=O)CN[C@H]1CCCCCN(C(=O)CC(N)=O)C1 ZINC001316769792 884152684 /nfs/dbraw/zinc/15/26/84/884152684.db2.gz YDRIZRORMWBUSH-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN C[C@H](C(N)=O)N(C)CCOCCN(C)C(=O)c1nc[nH]n1 ZINC001316765606 884152979 /nfs/dbraw/zinc/15/29/79/884152979.db2.gz QRIDIZVOKQSMAZ-SECBINFHSA-N 0 3 298.347 -1.301 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001316821151 884153113 /nfs/dbraw/zinc/15/31/13/884153113.db2.gz MFWAMECLQKCNRF-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O)C(N)=O ZINC001316704069 884153314 /nfs/dbraw/zinc/15/33/14/884153314.db2.gz NJYAMEVRNFPWEJ-HLTSFMKQSA-N 0 3 270.333 -1.438 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H]1C ZINC001316790711 884153901 /nfs/dbraw/zinc/15/39/01/884153901.db2.gz JVZDOKCXYYGGKB-MXWKQRLJSA-N 0 3 299.371 -1.162 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)CCN1CCO ZINC001316798273 884154700 /nfs/dbraw/zinc/15/47/00/884154700.db2.gz BNFDDENCDIMZTR-UTLUCORTSA-N 0 3 298.343 -1.454 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)CCN1CCO ZINC001316798272 884155008 /nfs/dbraw/zinc/15/50/08/884155008.db2.gz BNFDDENCDIMZTR-KXUCPTDWSA-N 0 3 298.343 -1.454 20 0 CAADHN CNC(=O)[C@H](C)N(C)CCCNC(=O)Cc1nc[nH]n1 ZINC001316858948 884158113 /nfs/dbraw/zinc/15/81/13/884158113.db2.gz GIAGXUFWLDGSFZ-VIFPVBQESA-N 0 3 282.348 -1.080 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@@H]1CCNC1=O ZINC001316842523 884158408 /nfs/dbraw/zinc/15/84/08/884158408.db2.gz HYTWSEYLCDBMCE-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001316848909 884158455 /nfs/dbraw/zinc/15/84/55/884158455.db2.gz MVTIJGMCNQFQRG-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN CN(C(=O)C(N)=O)C1CCN(CCOCCO)CC1 ZINC001316935233 884158697 /nfs/dbraw/zinc/15/86/97/884158697.db2.gz FWHNRBGUWMPREU-UHFFFAOYSA-N 0 3 273.333 -1.597 20 0 CAADHN CCN1CCN(CCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001316966999 884165493 /nfs/dbraw/zinc/16/54/93/884165493.db2.gz MXBIXQFFMCJFMA-NSHDSACASA-N 0 3 268.361 -1.124 20 0 CAADHN COCC(=O)N1CC[C@H](NCCNS(C)(=O)=O)C1 ZINC001317050363 884167002 /nfs/dbraw/zinc/16/70/02/884167002.db2.gz UBZLBVDVDUSEMB-VIFPVBQESA-N 0 3 279.362 -1.628 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H]2CCN(C[C@H](O)COC)C2)CC1 ZINC001316987220 884167235 /nfs/dbraw/zinc/16/72/35/884167235.db2.gz AWJMMLRHQKFCNJ-MNOVXSKESA-N 0 3 299.371 -1.290 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)c1cc[n+]([O-])cc1)C1CC1 ZINC001317015340 884167392 /nfs/dbraw/zinc/16/73/92/884167392.db2.gz GYQCCQZYAYWJQS-NSHDSACASA-N 0 3 278.312 -1.097 20 0 CAADHN CC(C)CNC(=O)CN[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001317022368 884167710 /nfs/dbraw/zinc/16/77/10/884167710.db2.gz FYTDMHUQXGNDNN-SNVBAGLBSA-N 0 3 284.360 -1.272 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001317021897 884168063 /nfs/dbraw/zinc/16/80/63/884168063.db2.gz LOMJYISHZRAQFO-MNOVXSKESA-N 0 3 296.371 -1.305 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001317017695 884168197 /nfs/dbraw/zinc/16/81/97/884168197.db2.gz JVXZKBCVSLNEAV-CWSCBRNRSA-N 0 3 267.329 -1.007 20 0 CAADHN CCCNC(=O)CN[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001317022542 884168515 /nfs/dbraw/zinc/16/85/15/884168515.db2.gz HLJAKMBKPCLMHD-VIFPVBQESA-N 0 3 270.333 -1.518 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001317022332 884169089 /nfs/dbraw/zinc/16/90/89/884169089.db2.gz FLXOPUQKLHLFRY-QMMMGPOBSA-N 0 3 268.317 -1.778 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001317017696 884169234 /nfs/dbraw/zinc/16/92/34/884169234.db2.gz JVXZKBCVSLNEAV-KWBADKCTSA-N 0 3 267.329 -1.007 20 0 CAADHN C[C@H](NC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1)C1CC1 ZINC001317055704 884169408 /nfs/dbraw/zinc/16/94/08/884169408.db2.gz FYQBZUFREYFHLQ-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)C(C)(C)C(N)=O)C1CC1)C(N)=O ZINC001317016578 884169717 /nfs/dbraw/zinc/16/97/17/884169717.db2.gz NGCJLXGLMCGDME-VXNVDRBHSA-N 0 3 284.360 -1.144 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001317065643 884171142 /nfs/dbraw/zinc/17/11/42/884171142.db2.gz UDNYUTRRAZQISA-VIFPVBQESA-N 0 3 265.317 -1.111 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)C2)CC1 ZINC001317064484 884172640 /nfs/dbraw/zinc/17/26/40/884172640.db2.gz OGHWYZWTWFQRSQ-BDAKNGLRSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)C2)CC1 ZINC001317064486 884172865 /nfs/dbraw/zinc/17/28/65/884172865.db2.gz OGHWYZWTWFQRSQ-IUCAKERBSA-N 0 3 282.344 -1.423 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN(C)CCCO ZINC001317470441 884203782 /nfs/dbraw/zinc/20/37/82/884203782.db2.gz RWAORJMPGNNJEX-UHFFFAOYSA-N 0 3 267.351 -2.034 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001317184815 884174255 /nfs/dbraw/zinc/17/42/55/884174255.db2.gz OGPYLUPCZPIGHP-QMMMGPOBSA-N 0 3 256.306 -1.682 20 0 CAADHN NC(=O)C(=O)NC[C@@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC001317135484 884175544 /nfs/dbraw/zinc/17/55/44/884175544.db2.gz LAPUNKIPEABCBX-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCCN1C(=O)C(N)=O ZINC001317193954 884175790 /nfs/dbraw/zinc/17/57/90/884175790.db2.gz DONOLHAJFZSJSI-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H]1CNC(=O)C(N)=O ZINC001317507437 884211925 /nfs/dbraw/zinc/21/19/25/884211925.db2.gz JCCDYQQDIPOMGZ-IUCAKERBSA-N 0 3 259.306 -1.940 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)Cn1cnnn1)C(N)=O ZINC001317224521 884177632 /nfs/dbraw/zinc/17/76/32/884177632.db2.gz JFQDRWSBTNVIRJ-HTQZYQBOSA-N 0 3 269.309 -1.969 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cnn(C)c1N ZINC001317232219 884177959 /nfs/dbraw/zinc/17/79/59/884177959.db2.gz CKKJZGZMPUJHAN-SSDOTTSWSA-N 0 3 268.321 -1.544 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](C)N[C@@H](C)C(N)=O)n1 ZINC001317234572 884178434 /nfs/dbraw/zinc/17/84/34/884178434.db2.gz IFQRWMNVXXEDFM-YUMQZZPRSA-N 0 3 268.321 -1.120 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)NCC(N)=O ZINC001317226481 884178454 /nfs/dbraw/zinc/17/84/54/884178454.db2.gz FACRKGQUGNNCCB-ZETCQYMHSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](CNC(=O)C1=COCCO1)N[C@H]1CCC(=O)NC1=O ZINC001317225320 884179476 /nfs/dbraw/zinc/17/94/76/884179476.db2.gz QBUKYKGWEIYDHW-BDAKNGLRSA-N 0 3 297.311 -1.226 20 0 CAADHN C[C@@H](CNC(=O)C1=COCCO1)N[C@H]1CCC(=O)NC1=O ZINC001317225324 884179775 /nfs/dbraw/zinc/17/97/75/884179775.db2.gz QBUKYKGWEIYDHW-IUCAKERBSA-N 0 3 297.311 -1.226 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@@H](C)NCCNS(C)(=O)=O ZINC001317236297 884179828 /nfs/dbraw/zinc/17/98/28/884179828.db2.gz RGMUHLMHZSCVMI-NXEZZACHSA-N 0 3 295.405 -1.353 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)NCC1(CS(C)(=O)=O)CC1 ZINC001317264843 884181314 /nfs/dbraw/zinc/18/13/14/884181314.db2.gz KRJUNGYCPXVQNI-QMMMGPOBSA-N 0 3 291.373 -1.609 20 0 CAADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCC(N)=O ZINC001317264101 884181048 /nfs/dbraw/zinc/18/10/48/884181048.db2.gz GPMCZAIALADSLG-CPCISQLKSA-N 0 3 256.306 -1.765 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001317261196 884181914 /nfs/dbraw/zinc/18/19/14/884181914.db2.gz FJBREUWYSJULMG-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCN(C)C1=O ZINC001317261195 884182107 /nfs/dbraw/zinc/18/21/07/884182107.db2.gz FJBREUWYSJULMG-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCNC1=O)NCCS(C)(=O)=O ZINC001317259435 884182527 /nfs/dbraw/zinc/18/25/27/884182527.db2.gz WITDZNWPEAXEPE-IUCAKERBSA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCC(N)=O ZINC001317264103 884183444 /nfs/dbraw/zinc/18/34/44/884183444.db2.gz GPMCZAIALADSLG-HQJQHLMTSA-N 0 3 256.306 -1.765 20 0 CAADHN C[C@H](CNC(=O)COCC(F)F)NCC(N)=O ZINC001317253527 884183561 /nfs/dbraw/zinc/18/35/61/884183561.db2.gz HUMXFVGRFZWRQW-ZCFIWIBFSA-N 0 3 253.249 -1.152 20 0 CAADHN C[C@@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)NCCF ZINC001317273296 884184287 /nfs/dbraw/zinc/18/42/87/884184287.db2.gz ZEQACNXJLMYQAL-ZETCQYMHSA-N 0 3 288.279 -1.529 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)NCC(N)=O ZINC001317274638 884184492 /nfs/dbraw/zinc/18/44/92/884184492.db2.gz CKHIEWKPVABBJQ-SSDOTTSWSA-N 0 3 258.322 -1.519 20 0 CAADHN C[C@H](CNC(=O)Cn1ccnc1)N[C@H]1CCC(=O)NC1=O ZINC001317291268 884184583 /nfs/dbraw/zinc/18/45/83/884184583.db2.gz WEQFUMJDAKRSQF-ZJUUUORDSA-N 0 3 293.327 -1.217 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ncccn1 ZINC001317283830 884184607 /nfs/dbraw/zinc/18/46/07/884184607.db2.gz ZUNXWMBQLRJCAQ-MRVPVSSYSA-N 0 3 251.290 -1.070 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)C(=O)NCC1CC1)C(N)=O ZINC001317280324 884184826 /nfs/dbraw/zinc/18/48/26/884184826.db2.gz KOBQFZFAKQQPMG-SCZZXKLOSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CNC(=O)Cc1ncc[nH]1)N[C@@H]1CCNC1=O ZINC001317279012 884185343 /nfs/dbraw/zinc/18/53/43/884185343.db2.gz GUHGHZGWUDUNRJ-DTWKUNHWSA-N 0 3 265.317 -1.065 20 0 CAADHN C[C@@H](CNC(=O)CCCN1C(=O)CNC1=O)NCC(N)=O ZINC001317292448 884185367 /nfs/dbraw/zinc/18/53/67/884185367.db2.gz ZSXXXAJHKOXCMF-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN C[C@@H](CNC(=O)CN1C(=O)CCC1=O)N[C@H]1CCNC1=O ZINC001317281457 884185412 /nfs/dbraw/zinc/18/54/12/884185412.db2.gz CUFIJKGFISCZBM-IUCAKERBSA-N 0 3 296.327 -1.882 20 0 CAADHN C[C@H](CNC(=O)CCCN1C(=O)CNC1=O)NCC(N)=O ZINC001317292446 884185474 /nfs/dbraw/zinc/18/54/74/884185474.db2.gz ZSXXXAJHKOXCMF-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001317275332 884185572 /nfs/dbraw/zinc/18/55/72/884185572.db2.gz IRQNNYCIMVPOTF-QMMMGPOBSA-N 0 3 298.343 -1.730 20 0 CAADHN C[C@H](CNC(=O)c1cccn(C)c1=O)NCC(N)=O ZINC001317283269 884185637 /nfs/dbraw/zinc/18/56/37/884185637.db2.gz MHBUTEJUJBDFCM-MRVPVSSYSA-N 0 3 266.301 -1.422 20 0 CAADHN C[C@H](CNC(=O)c1ccncn1)N[C@@H]1CCC(=O)NC1=O ZINC001317276774 884186165 /nfs/dbraw/zinc/18/61/65/884186165.db2.gz NLQZOXNFJFAIBA-PSASIEDQSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@@H](CNC(=O)c1ccncn1)N[C@@H]1CCC(=O)NC1=O ZINC001317276778 884185854 /nfs/dbraw/zinc/18/58/54/884185854.db2.gz NLQZOXNFJFAIBA-WCBMZHEXSA-N 0 3 291.311 -1.010 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)C(=O)NCC1CC1)C(N)=O ZINC001317280326 884185921 /nfs/dbraw/zinc/18/59/21/884185921.db2.gz KOBQFZFAKQQPMG-WPRPVWTQSA-N 0 3 284.360 -1.129 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001317288660 884185998 /nfs/dbraw/zinc/18/59/98/884185998.db2.gz IDZOYCIOIRJPOJ-VDTYLAMSSA-N 0 3 255.278 -1.040 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)NCC(N)=O ZINC001317274640 884186347 /nfs/dbraw/zinc/18/63/47/884186347.db2.gz CKHIEWKPVABBJQ-ZETCQYMHSA-N 0 3 258.322 -1.519 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001317304982 884188040 /nfs/dbraw/zinc/18/80/40/884188040.db2.gz VMWWTRSFNPDQGR-QMMMGPOBSA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)NCCF ZINC001317273295 884186941 /nfs/dbraw/zinc/18/69/41/884186941.db2.gz ZEQACNXJLMYQAL-SSDOTTSWSA-N 0 3 288.279 -1.529 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1)C(N)=O ZINC001317308984 884188937 /nfs/dbraw/zinc/18/89/37/884188937.db2.gz ISKCRYSJHISKPL-WDEREUQCSA-N 0 3 296.371 -1.033 20 0 CAADHN COCCOCCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001317311346 884189267 /nfs/dbraw/zinc/18/92/67/884189267.db2.gz OCOSHLPACHURDC-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN CC[C@@]1(C(=O)N2CC[C@H](NCC(=O)NC)C2)CCNC1=O ZINC001317301011 884189570 /nfs/dbraw/zinc/18/95/70/884189570.db2.gz PHHJGPKRLTZQMQ-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CN1CCC[C@H]1CCCNC(=O)C(N)=O ZINC001317430590 884191223 /nfs/dbraw/zinc/19/12/23/884191223.db2.gz XQZHNHCFXHYJAU-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN Cn1nnc(C(=O)NCCC[C@@H]2CCCN2CC(N)=O)n1 ZINC001317429260 884191700 /nfs/dbraw/zinc/19/17/00/884191700.db2.gz GYAMHJAZADQCDX-SECBINFHSA-N 0 3 295.347 -1.330 20 0 CAADHN CC(=O)NCC(=O)NCCC[C@H]1CCCN1CC(N)=O ZINC001317416832 884192600 /nfs/dbraw/zinc/19/26/00/884192600.db2.gz SOUDWFPQIILYEF-NSHDSACASA-N 0 3 284.360 -1.031 20 0 CAADHN CN(CCNC(=O)CC(N)=O)Cc1ccn(C)c(=O)c1 ZINC001317441211 884193959 /nfs/dbraw/zinc/19/39/59/884193959.db2.gz FPCBLEXYKFVJID-UHFFFAOYSA-N 0 3 280.328 -1.191 20 0 CAADHN CNC(=O)NCCC(=O)NCCN(C)CCCO ZINC001317444005 884197286 /nfs/dbraw/zinc/19/72/86/884197286.db2.gz NUPDAJAIGZWQGB-UHFFFAOYSA-N 0 3 260.338 -1.264 20 0 CAADHN CCN(CCNC(C)=O)CCN1C(=O)CNC1=O ZINC001317476009 884199091 /nfs/dbraw/zinc/19/90/91/884199091.db2.gz PDHOPKXBJNHNMF-UHFFFAOYSA-N 0 3 256.306 -1.004 20 0 CAADHN CCOCCN(C)CCNC(=O)CN1CCNC(=O)C1 ZINC001317460066 884199291 /nfs/dbraw/zinc/19/92/91/884199291.db2.gz VYSHYPJSDOBVJX-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN CCN(CCNC(=O)CC(N)=O)CCN1C(=O)CNC1=O ZINC001317476515 884201545 /nfs/dbraw/zinc/20/15/45/884201545.db2.gz ACKUQMOMVAMKBD-UHFFFAOYSA-N 0 3 299.331 -2.148 20 0 CAADHN CN(CCCO)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001317458265 884202459 /nfs/dbraw/zinc/20/24/59/884202459.db2.gz MEFCGUFLDAQFGC-UHFFFAOYSA-N 0 3 254.290 -1.186 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN(C)C[C@H](C)O ZINC001317470672 884205170 /nfs/dbraw/zinc/20/51/70/884205170.db2.gz VKMHPNWDGWGPOK-QMMMGPOBSA-N 0 3 267.351 -2.036 20 0 CAADHN NC(=O)C(=O)NC[C@@H]1CCCN1C[C@@H](O)Cn1cccn1 ZINC001317509769 884206274 /nfs/dbraw/zinc/20/62/74/884206274.db2.gz SJTUZNATVNOFHV-WDEREUQCSA-N 0 3 295.343 -1.690 20 0 CAADHN CCN(CCNC(=O)C(N)=O)C[C@H]1CCc2ncnn21 ZINC001317483773 884209011 /nfs/dbraw/zinc/20/90/11/884209011.db2.gz KMHCAOBESWBTRR-SECBINFHSA-N 0 3 280.332 -1.311 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)c1cc[nH]n1 ZINC001317568343 884213606 /nfs/dbraw/zinc/21/36/06/884213606.db2.gz DQLCIFYXMUDZKP-QMMMGPOBSA-N 0 3 279.300 -1.124 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CCn1cncn1 ZINC001317567430 884213633 /nfs/dbraw/zinc/21/36/33/884213633.db2.gz QYEFLPRGJXWPLB-UHFFFAOYSA-N 0 3 254.294 -1.799 20 0 CAADHN COCC(=O)N(C)CCNCCN(C)S(C)(=O)=O ZINC001317560213 884214330 /nfs/dbraw/zinc/21/43/30/884214330.db2.gz HZEXONMDVDMKHD-UHFFFAOYSA-N 0 3 281.378 -1.428 20 0 CAADHN CC(=O)NCC(=O)N(C)CCNCC(=O)N1CCC1 ZINC001317562670 884214854 /nfs/dbraw/zinc/21/48/54/884214854.db2.gz BQIMVCHXCVOLMJ-UHFFFAOYSA-N 0 3 270.333 -1.597 20 0 CAADHN COC(=O)NCC(=O)N(C)CCNCC(=O)NC(C)C ZINC001317571066 884215337 /nfs/dbraw/zinc/21/53/37/884215337.db2.gz VPDYZVVTBJMWKV-UHFFFAOYSA-N 0 3 288.348 -1.085 20 0 CAADHN CCO[C@H]1C[C@@H]1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001317570367 884215519 /nfs/dbraw/zinc/21/55/19/884215519.db2.gz PLDZYAPCPFXTEQ-IUCAKERBSA-N 0 3 286.332 -1.346 20 0 CAADHN CCO[C@@H]1C[C@H]1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001317570368 884218465 /nfs/dbraw/zinc/21/84/65/884218465.db2.gz PLDZYAPCPFXTEQ-RKDXNWHRSA-N 0 3 286.332 -1.346 20 0 CAADHN Cc1c(C(=O)N(C)CCNCC(=O)NC(N)=O)nnn1C ZINC001317577106 884219706 /nfs/dbraw/zinc/21/97/06/884219706.db2.gz LASBLBFDIRNPHS-UHFFFAOYSA-N 0 3 297.319 -2.020 20 0 CAADHN Cc1cn(C)nc1C(=O)N(C)CCNCC(N)=O ZINC001317585367 884219744 /nfs/dbraw/zinc/21/97/44/884219744.db2.gz QHPMVYOAMRFEAR-UHFFFAOYSA-N 0 3 253.306 -1.125 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001317592312 884220123 /nfs/dbraw/zinc/22/01/23/884220123.db2.gz XVEPPSYTXKKTCE-UHFFFAOYSA-N 0 3 294.377 -2.328 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1cocn1 ZINC001317574110 884220896 /nfs/dbraw/zinc/22/08/96/884220896.db2.gz NHJJBCRMUUYOMQ-UHFFFAOYSA-N 0 3 283.288 -1.208 20 0 CAADHN Cc1nnc(CC(=O)N(C)CCNCC(N)=O)o1 ZINC001317581992 884220437 /nfs/dbraw/zinc/22/04/37/884220437.db2.gz CLOISSOVGHOUHX-UHFFFAOYSA-N 0 3 255.278 -1.546 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCNCC(=O)N1CCC1 ZINC001317582628 884220544 /nfs/dbraw/zinc/22/05/44/884220544.db2.gz UMGBBUDSKUVJOI-VIFPVBQESA-N 0 3 285.348 -1.677 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)CC(N)=O ZINC001317578149 884220742 /nfs/dbraw/zinc/22/07/42/884220742.db2.gz YRAZHBFBXWKCHP-SSDOTTSWSA-N 0 3 287.320 -2.246 20 0 CAADHN CN(CCNCc1nnnn1C)C(=O)[C@H]1CCCN1C ZINC001317572477 884220802 /nfs/dbraw/zinc/22/08/02/884220802.db2.gz GLPODYISZDMWKA-SNVBAGLBSA-N 0 3 281.364 -1.148 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)CN1CCOCC1 ZINC001317578944 884221134 /nfs/dbraw/zinc/22/11/34/884221134.db2.gz FVFXAHMFWLHLEL-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001317574494 884221270 /nfs/dbraw/zinc/22/12/70/884221270.db2.gz SFEWQEBIXONLPF-RKDXNWHRSA-N 0 3 268.317 -1.799 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001317578934 884221431 /nfs/dbraw/zinc/22/14/31/884221431.db2.gz RSYJLKMMGLYLFI-VIFPVBQESA-N 0 3 258.322 -2.150 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@H]1COCCO1 ZINC001317571202 884221881 /nfs/dbraw/zinc/22/18/81/884221881.db2.gz RIFNWCRWEZZBHE-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)c1cnnn1C ZINC001317583831 884222136 /nfs/dbraw/zinc/22/21/36/884222136.db2.gz PLZWDBRMUBIVNB-UHFFFAOYSA-N 0 3 268.321 -1.435 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cnnn1C ZINC001317584236 884223076 /nfs/dbraw/zinc/22/30/76/884223076.db2.gz YKRWPHUPPVSQFM-QMMMGPOBSA-N 0 3 266.305 -1.635 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)Cn1ncnn1 ZINC001317587670 884222806 /nfs/dbraw/zinc/22/28/06/884222806.db2.gz RKEKFRHAUJBOCB-UHFFFAOYSA-N 0 3 269.309 -2.191 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)CC(N)=O ZINC001317578150 884223109 /nfs/dbraw/zinc/22/31/09/884223109.db2.gz YRAZHBFBXWKCHP-ZETCQYMHSA-N 0 3 287.320 -2.246 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@@H]1COCCO1 ZINC001317571195 884223407 /nfs/dbraw/zinc/22/34/07/884223407.db2.gz RIFNWCRWEZZBHE-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)[C@H]1CCCC(=O)N1 ZINC001317596689 884223525 /nfs/dbraw/zinc/22/35/25/884223525.db2.gz PDYQSNWUCCEJDH-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CN(CCNCC(=O)NCC1CC1)C(=O)[C@H]1COC(=O)N1 ZINC001317583411 884223617 /nfs/dbraw/zinc/22/36/17/884223617.db2.gz NCXSUPWDLSXLKQ-SNVBAGLBSA-N 0 3 298.343 -1.331 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCc2nccn2C1 ZINC001317606653 884225476 /nfs/dbraw/zinc/22/54/76/884225476.db2.gz SBTLSIGEMNHTKS-SNVBAGLBSA-N 0 3 279.344 -1.021 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCN(C)C1=O ZINC001317621216 884226748 /nfs/dbraw/zinc/22/67/48/884226748.db2.gz HNMLQUOSQSAFSL-ZJUUUORDSA-N 0 3 282.344 -1.599 20 0 CAADHN CC[C@@]1(C(=O)N(C)CCN[C@@H](C)C(N)=O)CCNC1=O ZINC001317598994 884225939 /nfs/dbraw/zinc/22/59/39/884225939.db2.gz XCIGCMSFPZKUGS-TVQRCGJNSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001317622017 884226861 /nfs/dbraw/zinc/22/68/61/884226861.db2.gz YWTIEFFKPRKRLY-IMSYWVGJSA-N 0 3 255.318 -1.199 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@H]1CCC(=O)N1C ZINC001317619973 884227198 /nfs/dbraw/zinc/22/71/98/884227198.db2.gz FIBWMDKSVKKDNP-MRVPVSSYSA-N 0 3 299.331 -2.150 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001317618361 884227542 /nfs/dbraw/zinc/22/75/42/884227542.db2.gz JJQYCJIAVZMKCL-VHSXEESVSA-N 0 3 284.360 -1.318 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)CN1CCCNC1=O ZINC001317603966 884227921 /nfs/dbraw/zinc/22/79/21/884227921.db2.gz GMGIVWWGOQGKRI-UHFFFAOYSA-N 0 3 299.375 -1.462 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001317620294 884228107 /nfs/dbraw/zinc/22/81/07/884228107.db2.gz OTIAWCMVJSINII-VIFPVBQESA-N 0 3 270.333 -1.599 20 0 CAADHN CC[C@@]1(C(=O)N(C)CCN[C@H]2CCNC2=O)CCNC1=O ZINC001317598598 884228171 /nfs/dbraw/zinc/22/81/71/884228171.db2.gz SXCFLCPOTUXJDQ-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@]1(C(=O)N(C)CCN[C@H](C)C(N)=O)CCNC1=O ZINC001317598991 884228329 /nfs/dbraw/zinc/22/83/29/884228329.db2.gz XCIGCMSFPZKUGS-NOZJJQNGSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCNC1=O)C(N)=O ZINC001317618146 884228695 /nfs/dbraw/zinc/22/86/95/884228695.db2.gz FXGQZVVWFVWQHC-YUMQZZPRSA-N 0 3 256.306 -1.956 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@]1(C)CCNC1=O)C(N)=O ZINC001317628960 884229553 /nfs/dbraw/zinc/22/95/53/884229553.db2.gz MIUVHWNFDKSHTN-TVQRCGJNSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CCc1cnccn1 ZINC001317650339 884230038 /nfs/dbraw/zinc/23/00/38/884230038.db2.gz OLGLYFVMOLMOGQ-UHFFFAOYSA-N 0 3 265.317 -1.058 20 0 CAADHN CC(C)N(C)C(=O)CNCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001317632511 884230398 /nfs/dbraw/zinc/23/03/98/884230398.db2.gz FDTNVZXKPHOBPN-SNVBAGLBSA-N 0 3 299.375 -1.417 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001317625263 884230426 /nfs/dbraw/zinc/23/04/26/884230426.db2.gz CDKWDZSOGJMCDH-ZDUSSCGKSA-N 0 3 284.360 -1.161 20 0 CAADHN CN(CCNCCF)C(=O)Cn1ncn2nccc2c1=O ZINC001317636927 884230717 /nfs/dbraw/zinc/23/07/17/884230717.db2.gz OFXTVOLPJXTHOB-UHFFFAOYSA-N 0 3 296.306 -1.092 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001317627627 884231525 /nfs/dbraw/zinc/23/15/25/884231525.db2.gz UZNDWQDUUMBHER-BDAKNGLRSA-N 0 3 270.333 -1.708 20 0 CAADHN Cc1ccnn1CC(=O)N(C)CCNCC(N)=O ZINC001317635877 884232094 /nfs/dbraw/zinc/23/20/94/884232094.db2.gz LBUWNZOCGHRTFV-UHFFFAOYSA-N 0 3 253.306 -1.275 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1nccs1 ZINC001317644277 884232062 /nfs/dbraw/zinc/23/20/62/884232062.db2.gz QWMOROSYTUONNI-UHFFFAOYSA-N 0 3 285.329 -1.000 20 0 CAADHN CN(CCNCC(=O)N1CCCC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001317632330 884233236 /nfs/dbraw/zinc/23/32/36/884233236.db2.gz CPQMKDIPWBANGL-JTQLQIEISA-N 0 3 297.359 -1.662 20 0 CAADHN CC[C@H]([NH2+]CCN(C)C(=O)c1nc[n-]n1)C(N)=O ZINC001317640260 884233755 /nfs/dbraw/zinc/23/37/55/884233755.db2.gz RJBCTVRTNJEYAB-ZETCQYMHSA-N 0 3 254.294 -1.270 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001317660802 884233815 /nfs/dbraw/zinc/23/38/15/884233815.db2.gz MFVIUYCZRAMFGP-UHFFFAOYSA-N 0 3 295.343 -1.470 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cn1ccnc1C ZINC001317661563 884236432 /nfs/dbraw/zinc/23/64/32/884236432.db2.gz NXIVNPCYEUCEPI-UHFFFAOYSA-N 0 3 267.333 -1.014 20 0 CAADHN CN(CCNCC(N)=O)C(=O)COC[C@H]1CCCO1 ZINC001317667954 884238246 /nfs/dbraw/zinc/23/82/46/884238246.db2.gz HDWDWELEJVLGDJ-SNVBAGLBSA-N 0 3 273.333 -1.285 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)CCNC(N)=O ZINC001317662297 884238508 /nfs/dbraw/zinc/23/85/08/884238508.db2.gz PUPCDSJXWMODCZ-UHFFFAOYSA-N 0 3 273.337 -1.771 20 0 CAADHN O=C(CNC(=O)C1CC1)NCC1CN(CCCO)C1 ZINC001318105674 884250770 /nfs/dbraw/zinc/25/07/70/884250770.db2.gz HSWKUNZJCKPAMX-UHFFFAOYSA-N 0 3 269.345 -1.057 20 0 CAADHN COCCCN1CC(CNC(=O)Cn2cnnn2)C1 ZINC001318101569 884252531 /nfs/dbraw/zinc/25/25/31/884252531.db2.gz SZLJATOFBPPUPB-UHFFFAOYSA-N 0 3 268.321 -1.242 20 0 CAADHN CCN1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001318139398 884258102 /nfs/dbraw/zinc/25/81/02/884258102.db2.gz CSVKHTQAJVYFIV-UHFFFAOYSA-N 0 3 254.334 -1.514 20 0 CAADHN C[C@@H](CNC(=S)NCC(N)=O)CN1CCN(C)CC1 ZINC001318209427 884260064 /nfs/dbraw/zinc/26/00/64/884260064.db2.gz CPBBCOMEDNOJNL-JTQLQIEISA-N 0 3 287.433 -1.181 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001318405750 884274811 /nfs/dbraw/zinc/27/48/11/884274811.db2.gz AOULCWIJAPRLBC-VIFPVBQESA-N 0 3 258.322 -1.560 20 0 CAADHN CN(C(=O)Cn1cncn1)[C@@H]1CCN(CCOCCO)C1 ZINC001318447008 884277807 /nfs/dbraw/zinc/27/78/07/884277807.db2.gz UODALPWYOQKWQN-GFCCVEGCSA-N 0 3 297.359 -1.180 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NCC(=O)NC(C)C ZINC001318568346 884283932 /nfs/dbraw/zinc/28/39/32/884283932.db2.gz MSPGLYLOJQFQDG-MRVPVSSYSA-N 0 3 258.322 -1.519 20 0 CAADHN CC[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)NCC(=O)NC ZINC001318527338 884286729 /nfs/dbraw/zinc/28/67/29/884286729.db2.gz CEZOBGFZVFFFJQ-YUMQZZPRSA-N 0 3 299.331 -2.185 20 0 CAADHN CC[C@H](CNC(=O)C(=O)NCC1CC1)N[C@@H](C)C(N)=O ZINC001318592107 884287959 /nfs/dbraw/zinc/28/79/59/884287959.db2.gz SFLTVRKUKGAAAR-WCBMZHEXSA-N 0 3 284.360 -1.129 20 0 CAADHN NC(=O)C(=O)NC1(CN[C@@H]2CCCNC2=O)CCCC1 ZINC001318654274 884289578 /nfs/dbraw/zinc/28/95/78/884289578.db2.gz UYIZZLMVZXMWPA-SECBINFHSA-N 0 3 282.344 -1.231 20 0 CAADHN C[C@H](C(=O)NCCN1CCN(C)CC1)N1CCN(C)CC1 ZINC001318756833 884292604 /nfs/dbraw/zinc/29/26/04/884292604.db2.gz INUNAZIOFJXHHL-CQSZACIVSA-N 0 3 297.447 -1.014 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC(C(N)=O)C(N)=O)CC1=O ZINC001318913033 884299790 /nfs/dbraw/zinc/29/97/90/884299790.db2.gz XKNLCWZQUDOOCF-SSDOTTSWSA-N 0 3 299.331 -3.148 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001319063964 884307159 /nfs/dbraw/zinc/30/71/59/884307159.db2.gz NZYOLEVHYGTGKL-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001319065881 884307995 /nfs/dbraw/zinc/30/79/95/884307995.db2.gz IJQJENZDVPSCCW-MRVPVSSYSA-N 0 3 266.305 -1.505 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C(N)=O ZINC001319106122 884309532 /nfs/dbraw/zinc/30/95/32/884309532.db2.gz AOTFGXUBIVLART-HTQZYQBOSA-N 0 3 256.306 -1.813 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC001319103561 884309566 /nfs/dbraw/zinc/30/95/66/884309566.db2.gz KQIWRGXWZBSULK-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](CNC(=O)CC(N)=O)CN1CCN(C)CC1 ZINC001319279113 884317431 /nfs/dbraw/zinc/31/74/31/884317431.db2.gz ULNWZYNPDPKQBV-SNVBAGLBSA-N 0 3 256.350 -1.139 20 0 CAADHN CCNC(=O)CC(=O)N(C)[C@@H](C)CNCC(=O)NC ZINC001319448374 884332429 /nfs/dbraw/zinc/33/24/29/884332429.db2.gz KWGOKGSMSMFSGD-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001319418432 884327029 /nfs/dbraw/zinc/32/70/29/884327029.db2.gz LNSOWWXSOBPFPU-QMMMGPOBSA-N 0 3 269.309 -2.144 20 0 CAADHN NC(=O)C(=O)NCC1(NCC(=O)N2CCC2)CCCC1 ZINC001319372802 884328823 /nfs/dbraw/zinc/32/88/23/884328823.db2.gz QWFUOSZWRBXTSA-UHFFFAOYSA-N 0 3 282.344 -1.277 20 0 CAADHN CCN1CC[C@@H](NC[C@H](C)N(C)C(=O)CC(N)=O)C1=O ZINC001319436027 884329791 /nfs/dbraw/zinc/32/97/91/884329791.db2.gz HCMRXWABXVBUDK-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001319436074 884329886 /nfs/dbraw/zinc/32/98/86/884329886.db2.gz IARDFFMQIFCZBK-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001319523718 884335156 /nfs/dbraw/zinc/33/51/56/884335156.db2.gz RLSROESUQQILGU-ZETCQYMHSA-N 0 3 256.306 -1.826 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)c1cnnn1C)C(N)=O ZINC001319453553 884330464 /nfs/dbraw/zinc/33/04/64/884330464.db2.gz PMZQJFMHYVQBMG-JGVFFNPUSA-N 0 3 268.321 -1.261 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001319513572 884333839 /nfs/dbraw/zinc/33/38/39/884333839.db2.gz BWEWOBSAUXQMAX-REIXXSIJSA-N 0 3 255.318 -1.199 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)C1(C(N)=O)CC1 ZINC001319524880 884334412 /nfs/dbraw/zinc/33/44/12/884334412.db2.gz YUXAILUZFDAESR-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001319524116 884336221 /nfs/dbraw/zinc/33/62/21/884336221.db2.gz TYUBPASAEVHLOI-ZETCQYMHSA-N 0 3 267.289 -1.695 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)NCC[S@](C)=O ZINC001319543636 884337729 /nfs/dbraw/zinc/33/77/29/884337729.db2.gz RZBBUCOZRPAGLI-QGHHPUGFSA-N 0 3 265.379 -1.023 20 0 CAADHN C[C@@H](NC[C@@H](C)N(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001319547265 884338378 /nfs/dbraw/zinc/33/83/78/884338378.db2.gz QICKESDCKQVATF-HTQZYQBOSA-N 0 3 268.321 -1.261 20 0 CAADHN NC(=O)N[C@@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001319580038 884340799 /nfs/dbraw/zinc/34/07/99/884340799.db2.gz SYPHQUZZIHRXAC-MRVPVSSYSA-N 0 3 269.305 -1.329 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001319580879 884340894 /nfs/dbraw/zinc/34/08/94/884340894.db2.gz QWMLARPOEQSCAW-MRVPVSSYSA-N 0 3 299.331 -2.198 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)[C@@H](C)CNCCF ZINC001319589398 884342061 /nfs/dbraw/zinc/34/20/61/884342061.db2.gz JCKILBZYSCODML-QMMMGPOBSA-N 0 3 269.342 -1.058 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)C(F)F)C(N)=O ZINC001320187534 884380232 /nfs/dbraw/zinc/38/02/32/884380232.db2.gz LFOFYYCVRFBCMO-NTSWFWBYSA-N 0 3 253.249 -1.418 20 0 CAADHN C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNCC(=O)N(C)C ZINC001319862278 884355088 /nfs/dbraw/zinc/35/50/88/884355088.db2.gz UWVYPJAFDBMNPZ-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCN1CCCN(C(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001319872816 884355172 /nfs/dbraw/zinc/35/51/72/884355172.db2.gz AHZTVIGCRLGFHN-SECBINFHSA-N 0 3 258.322 -1.430 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)Nn2cnnc2)CC1=O ZINC001319877285 884357382 /nfs/dbraw/zinc/35/73/82/884357382.db2.gz MJUKZAYLACMJOO-VIFPVBQESA-N 0 3 266.305 -1.242 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H](CO)NC(N)=O ZINC001319873822 884357694 /nfs/dbraw/zinc/35/76/94/884357694.db2.gz SROJXGLMFJUIJR-MRVPVSSYSA-N 0 3 262.310 -2.290 20 0 CAADHN CC(C)CNC(=O)CN[C@H](CNC(=O)C(N)=O)C(C)C ZINC001319946000 884361848 /nfs/dbraw/zinc/36/18/48/884361848.db2.gz ZCRFLWSSAYDBHG-SNVBAGLBSA-N 0 3 286.376 -1.026 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1CCNC1=O)NCC(N)=O ZINC001319936952 884363190 /nfs/dbraw/zinc/36/31/90/884363190.db2.gz SHYBLBRJSLQRBY-IUCAKERBSA-N 0 3 270.333 -1.662 20 0 CAADHN CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 ZINC001320094850 884376383 /nfs/dbraw/zinc/37/63/83/884376383.db2.gz COEAKQKDWOEFDD-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CCNC(=O)CN1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@H]21 ZINC001320094854 884376724 /nfs/dbraw/zinc/37/67/24/884376724.db2.gz COEAKQKDWOEFDD-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)o1 ZINC001320185459 884378266 /nfs/dbraw/zinc/37/82/66/884378266.db2.gz HDFTYPUXVKMHPC-MRVPVSSYSA-N 0 3 255.274 -1.246 20 0 CAADHN CCCC(=O)NC[C@@H](O)CNCCS(C)(=O)=O ZINC001320185286 884378851 /nfs/dbraw/zinc/37/88/51/884378851.db2.gz DGQDJAYANRWZQZ-VIFPVBQESA-N 0 3 266.363 -1.102 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccco1 ZINC001320190077 884380085 /nfs/dbraw/zinc/38/00/85/884380085.db2.gz TYJZGMIOUZNKBV-MRVPVSSYSA-N 0 3 255.274 -1.294 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001320199526 884380449 /nfs/dbraw/zinc/38/04/49/884380449.db2.gz AIKBOPXZXXVPDV-BQBZGAKWSA-N 0 3 258.278 -3.183 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccco1)C(N)=O ZINC001320187265 884380766 /nfs/dbraw/zinc/38/07/66/884380766.db2.gz KSFWWCDGNXULLK-JGVFFNPUSA-N 0 3 255.274 -1.166 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)n1cccn1 ZINC001320198552 884380829 /nfs/dbraw/zinc/38/08/29/884380829.db2.gz DTRCSSVLLNFDAC-IUCAKERBSA-N 0 3 269.305 -2.004 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CC1CC1 ZINC001320189773 884380862 /nfs/dbraw/zinc/38/08/62/884380862.db2.gz RTKSHBFGDAGOHO-PSASIEDQSA-N 0 3 257.334 -1.012 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)C(F)F ZINC001320186942 884381064 /nfs/dbraw/zinc/38/10/64/884381064.db2.gz JFAHTRYENXRTMW-LURJTMIESA-N 0 3 253.249 -1.594 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)C(F)F)C(N)=O ZINC001320187540 884381205 /nfs/dbraw/zinc/38/12/05/884381205.db2.gz LFOFYYCVRFBCMO-WDSKDSINSA-N 0 3 253.249 -1.418 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001320185870 884381346 /nfs/dbraw/zinc/38/13/46/884381346.db2.gz FGCYOGQBVQKEQJ-DTWKUNHWSA-N 0 3 269.301 -1.732 20 0 CAADHN CC(=O)NC[C@@H](O)CNCCN(C)S(C)(=O)=O ZINC001320187261 884381475 /nfs/dbraw/zinc/38/14/75/884381475.db2.gz KPZRAOISILCOGT-VIFPVBQESA-N 0 3 267.351 -2.036 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001320186930 884381578 /nfs/dbraw/zinc/38/15/78/884381578.db2.gz JAHADDKYMWPEOZ-VIFPVBQESA-N 0 3 259.306 -2.068 20 0 CAADHN CS(=O)(=O)CCNC[C@H](O)CNC(=O)C(F)F ZINC001320190226 884382592 /nfs/dbraw/zinc/38/25/92/884382592.db2.gz VQPAEEJUKHUAPF-LURJTMIESA-N 0 3 274.289 -1.637 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001320185882 884382651 /nfs/dbraw/zinc/38/26/51/884382651.db2.gz FGCYOGQBVQKEQJ-RKDXNWHRSA-N 0 3 269.301 -1.732 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cc[n+]([O-])cc1 ZINC001320189610 884383073 /nfs/dbraw/zinc/38/30/73/884383073.db2.gz WVQOQZVDFSVLFU-WDEREUQCSA-N 0 3 294.311 -2.111 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCC(=O)NC1=O)c1ccn[nH]1 ZINC001320200273 884383506 /nfs/dbraw/zinc/38/35/06/884383506.db2.gz MXVFMLQCOOWDAZ-JGVFFNPUSA-N 0 3 295.299 -2.105 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)[nH]n1 ZINC001320200055 884383884 /nfs/dbraw/zinc/38/38/84/884383884.db2.gz DQTVIBFIEVPFPP-JGVFFNPUSA-N 0 3 269.305 -1.728 20 0 CAADHN COc1cc(CNC[C@H](O)CNC(=O)CC(N)=O)ccn1 ZINC001320202467 884384519 /nfs/dbraw/zinc/38/45/19/884384519.db2.gz ORJMJBAPMUUOLY-JTQLQIEISA-N 0 3 296.327 -1.468 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)OC ZINC001320201090 884384806 /nfs/dbraw/zinc/38/48/06/884384806.db2.gz HQPRLSAXZBMKDI-BDAKNGLRSA-N 0 3 261.322 -1.776 20 0 CAADHN Cc1cncc(CNC[C@H](O)CNC(=O)CC(N)=O)c1 ZINC001320203135 884384901 /nfs/dbraw/zinc/38/49/01/884384901.db2.gz SINFTBCQBDOWKY-NSHDSACASA-N 0 3 280.328 -1.168 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001320203812 884386748 /nfs/dbraw/zinc/38/67/48/884386748.db2.gz WQPUEZKGKKZTNQ-QMMMGPOBSA-N 0 3 269.305 -1.822 20 0 CAADHN Cc1cncc(CNC[C@@H](O)CNC(=O)CC(N)=O)c1 ZINC001320203134 884385845 /nfs/dbraw/zinc/38/58/45/884385845.db2.gz SINFTBCQBDOWKY-LLVKDONJSA-N 0 3 280.328 -1.168 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001320201412 884385876 /nfs/dbraw/zinc/38/58/76/884385876.db2.gz KROBBRDGRMWZLE-UXCLJVHYSA-N 0 3 269.345 -1.155 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccn[nH]1)C(N)=O ZINC001320203154 884385911 /nfs/dbraw/zinc/38/59/11/884385911.db2.gz UONFFVJNEDCDSL-HTQZYQBOSA-N 0 3 269.305 -1.646 20 0 CAADHN COc1cc(CNC[C@@H](O)CNC(=O)CC(N)=O)ccn1 ZINC001320202473 884386063 /nfs/dbraw/zinc/38/60/63/884386063.db2.gz ORJMJBAPMUUOLY-SNVBAGLBSA-N 0 3 296.327 -1.468 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCC(=O)NC1=O)c1ccn[nH]1 ZINC001320200279 884387687 /nfs/dbraw/zinc/38/76/87/884387687.db2.gz MXVFMLQCOOWDAZ-YUMQZZPRSA-N 0 3 295.299 -2.105 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001320203811 884388067 /nfs/dbraw/zinc/38/80/67/884388067.db2.gz WQPUEZKGKKZTNQ-MRVPVSSYSA-N 0 3 269.305 -1.822 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@@H](O)CNCCS(C)(=O)=O ZINC001320215218 884388425 /nfs/dbraw/zinc/38/84/25/884388425.db2.gz QNFPELRFVAIKEQ-VHSXEESVSA-N 0 3 296.389 -1.885 20 0 CAADHN CC1(C)CC(C(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001320216041 884388751 /nfs/dbraw/zinc/38/87/51/884388751.db2.gz VZUDMJYNPINXAN-SECBINFHSA-N 0 3 257.334 -1.025 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](O)CNCCF)C1 ZINC001320212895 884389570 /nfs/dbraw/zinc/38/95/70/884389570.db2.gz CNIKPEXWHYFYOT-SNVBAGLBSA-N 0 3 261.297 -1.499 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001320217018 884390118 /nfs/dbraw/zinc/39/01/18/884390118.db2.gz OJZNKZKAQWJQGA-SFYZADRCSA-N 0 3 274.321 -2.547 20 0 CAADHN Cc1nnc(CC(=O)NC[C@H](O)CNCCF)o1 ZINC001320215670 884390506 /nfs/dbraw/zinc/39/05/06/884390506.db2.gz UFGQGLYIHUKNLU-MRVPVSSYSA-N 0 3 260.269 -1.043 20 0 CAADHN CCN(CCO)CCNC(=O)CSCC(N)=O ZINC001320447742 884423461 /nfs/dbraw/zinc/42/34/61/884423461.db2.gz PEPBIDCCVYMLLS-UHFFFAOYSA-N 0 3 263.363 -1.365 20 0 CAADHN CC/C(C)=C\C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001320216126 884391407 /nfs/dbraw/zinc/39/14/07/884391407.db2.gz WHFAUVYTVGYOEK-USYJTPIQSA-N 0 3 286.332 -1.396 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001320216996 884391464 /nfs/dbraw/zinc/39/14/64/884391464.db2.gz LSRKNLPKEMDGKS-HTQZYQBOSA-N 0 3 269.305 -1.776 20 0 CAADHN Cc1cncc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001320204604 884391707 /nfs/dbraw/zinc/39/17/07/884391707.db2.gz ZDMYWTHLJGEBRW-JTQLQIEISA-N 0 3 266.301 -1.444 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001320215622 884392507 /nfs/dbraw/zinc/39/25/07/884392507.db2.gz SPWWSKIHEHYTBX-WDSKDSINSA-N 0 3 251.233 -1.806 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@H](O)CNCCS(C)(=O)=O ZINC001320215217 884392358 /nfs/dbraw/zinc/39/23/58/884392358.db2.gz QNFPELRFVAIKEQ-NXEZZACHSA-N 0 3 296.389 -1.885 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001320216997 884392572 /nfs/dbraw/zinc/39/25/72/884392572.db2.gz LSRKNLPKEMDGKS-JGVFFNPUSA-N 0 3 269.305 -1.776 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001320217017 884392747 /nfs/dbraw/zinc/39/27/47/884392747.db2.gz OJZNKZKAQWJQGA-JGVFFNPUSA-N 0 3 274.321 -2.547 20 0 CAADHN C[C@@H](C(=O)NC[C@H](O)CNCCF)N1C(=O)CCC1=O ZINC001320227011 884394194 /nfs/dbraw/zinc/39/41/94/884394194.db2.gz JQVIDWXNVIECPY-DTWKUNHWSA-N 0 3 289.307 -1.440 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H](O)CNCCF)CC1=O ZINC001320227403 884394290 /nfs/dbraw/zinc/39/42/90/884394290.db2.gz QCKPNEKJXBRHSB-BDAKNGLRSA-N 0 3 261.297 -1.499 20 0 CAADHN C/C=C(\C)C(=O)NC[C@H](O)CNCCNS(C)(=O)=O ZINC001320219259 884395275 /nfs/dbraw/zinc/39/52/75/884395275.db2.gz ZZCPITXVLXYNDO-WXLQGSQKSA-N 0 3 293.389 -1.432 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001320218339 884395731 /nfs/dbraw/zinc/39/57/31/884395731.db2.gz VCOUNRWXGOCUEI-ZETCQYMHSA-N 0 3 260.294 -2.935 20 0 CAADHN O=C(C[C@H]1CCCS1(=O)=O)NC[C@@H](O)CNCCF ZINC001320256507 884401610 /nfs/dbraw/zinc/40/16/10/884401610.db2.gz DLINESMGPGFJEK-VHSXEESVSA-N 0 3 296.364 -1.010 20 0 CAADHN O=C(NC[C@H](O)CNC/C=C/Cl)[C@H]1CCNC1=O ZINC001320259792 884402337 /nfs/dbraw/zinc/40/23/37/884402337.db2.gz RXUHVFPHIVBAQX-XKAWMOSTSA-N 0 3 275.736 -1.058 20 0 CAADHN O=C(NC[C@H](O)CNC/C=C\Cl)[C@H]1CCNC1=O ZINC001320259777 884403156 /nfs/dbraw/zinc/40/31/56/884403156.db2.gz RXUHVFPHIVBAQX-LGSOUNPISA-N 0 3 275.736 -1.058 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)C=CCC1 ZINC001320260202 884403602 /nfs/dbraw/zinc/40/36/02/884403602.db2.gz STNITXKUVJCYHS-NOZJJQNGSA-N 0 3 298.343 -1.396 20 0 CAADHN NC(=O)C1(C(=O)NC[C@H](O)CNCc2cncs2)CC1 ZINC001320269861 884404737 /nfs/dbraw/zinc/40/47/37/884404737.db2.gz CJCSCAZRBJHBHQ-MRVPVSSYSA-N 0 3 298.368 -1.025 20 0 CAADHN NC(=O)C(=O)NC[C@@H](O)CNCc1ccc(Cl)nc1 ZINC001320269994 884405063 /nfs/dbraw/zinc/40/50/63/884405063.db2.gz GBQDNFIRFYSJMP-QMMMGPOBSA-N 0 3 286.719 -1.213 20 0 CAADHN NC(=O)C1(C(=O)NC[C@@H](O)CNCc2cncs2)CC1 ZINC001320269862 884405490 /nfs/dbraw/zinc/40/54/90/884405490.db2.gz CJCSCAZRBJHBHQ-QMMMGPOBSA-N 0 3 298.368 -1.025 20 0 CAADHN O=C(NC[C@@H](O)CNC/C=C/Cl)[C@H]1CNC(=O)N1 ZINC001320271674 884405877 /nfs/dbraw/zinc/40/58/77/884405877.db2.gz UIBVORIRIANMPZ-PPYPBTKYSA-N 0 3 276.724 -1.513 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)C[NH2+]CCCO ZINC001320260748 884405987 /nfs/dbraw/zinc/40/59/87/884405987.db2.gz AZRXUSBKAWDKDO-SECBINFHSA-N 0 3 284.316 -1.447 20 0 CAADHN NC(=O)C(=O)NC[C@@H](O)CN[C@@H]1CCN(C2CCC2)C1=O ZINC001320269841 884406233 /nfs/dbraw/zinc/40/62/33/884406233.db2.gz BVQSIERIUAATAO-VHSXEESVSA-N 0 3 298.343 -2.308 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C(N)=O)C(=O)N(C)C ZINC001320269984 884406309 /nfs/dbraw/zinc/40/63/09/884406309.db2.gz FSOGVBVNLNMOLR-NKWVEPMBSA-N 0 3 260.294 -2.985 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)C(N)=O)cn1 ZINC001320272664 884408250 /nfs/dbraw/zinc/40/82/50/884408250.db2.gz YHLRVQOMESNQOS-QMMMGPOBSA-N 0 3 255.278 -2.528 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NC[C@H](O)CNCCF ZINC001320285248 884408272 /nfs/dbraw/zinc/40/82/72/884408272.db2.gz BAWBACNFAJUNBD-RKDXNWHRSA-N 0 3 261.297 -1.309 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001320287480 884410335 /nfs/dbraw/zinc/41/03/35/884410335.db2.gz ZTTJWPAUAHMZLO-LURJTMIESA-N 0 3 257.250 -2.504 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H](O)CNCCF ZINC001320303059 884411144 /nfs/dbraw/zinc/41/11/44/884411144.db2.gz LCSHATUEWJNNKK-SFYZADRCSA-N 0 3 290.295 -1.989 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1ncc[nH]1)C(N)=O ZINC001320291900 884411496 /nfs/dbraw/zinc/41/14/96/884411496.db2.gz GKSFRQVUIVQWGR-JGVFFNPUSA-N 0 3 269.305 -2.107 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)NC[C@H](O)CNCCF ZINC001320303057 884411569 /nfs/dbraw/zinc/41/15/69/884411569.db2.gz LCSHATUEWJNNKK-HTQZYQBOSA-N 0 3 290.295 -1.989 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@H](O)CNCCF ZINC001320303060 884411743 /nfs/dbraw/zinc/41/17/43/884411743.db2.gz LCSHATUEWJNNKK-YUMQZZPRSA-N 0 3 290.295 -1.989 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1ncc[nH]1)C(N)=O ZINC001320291902 884411955 /nfs/dbraw/zinc/41/19/55/884411955.db2.gz GKSFRQVUIVQWGR-YUMQZZPRSA-N 0 3 269.305 -2.107 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001320314753 884414357 /nfs/dbraw/zinc/41/43/57/884414357.db2.gz AFUPDANWNSPNOM-YUMQZZPRSA-N 0 3 269.305 -1.728 20 0 CAADHN CCN(CCO)CCNC(=O)C1(NC(N)=O)CC1 ZINC001320324098 884415297 /nfs/dbraw/zinc/41/52/97/884415297.db2.gz QOKOUGVDEFHKAW-UHFFFAOYSA-N 0 3 258.322 -1.382 20 0 CAADHN O=C1CNC(=O)N1CCCN1C[C@H](O)C[C@H]1CO ZINC001320367049 884418629 /nfs/dbraw/zinc/41/86/29/884418629.db2.gz HJZUMJWZQLEVKD-DTWKUNHWSA-N 0 3 257.290 -1.644 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCN(C2CC2)C1 ZINC001320578489 884431997 /nfs/dbraw/zinc/43/19/97/884431997.db2.gz WKIKNKXMRQJSPK-APPZFPTMSA-N 0 3 266.301 -1.063 20 0 CAADHN CCN(CCNCC(=O)N1CCC1)C(=O)Cn1cnnn1 ZINC001320674471 884438406 /nfs/dbraw/zinc/43/84/06/884438406.db2.gz QHUOXXCPZGIWJE-UHFFFAOYSA-N 0 3 295.347 -1.657 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CN(C)C(C)=O ZINC001320682591 884438715 /nfs/dbraw/zinc/43/87/15/884438715.db2.gz IDECFFBHDYTTKO-UHFFFAOYSA-N 0 3 258.322 -1.612 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)c1ccc(=O)[nH]n1 ZINC001320672076 884440121 /nfs/dbraw/zinc/44/01/21/884440121.db2.gz OPZITROWIWTXIP-UHFFFAOYSA-N 0 3 281.316 -1.020 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001320703781 884441803 /nfs/dbraw/zinc/44/18/03/884441803.db2.gz SCYRWYRLGFUVLV-JTQLQIEISA-N 0 3 272.349 -1.760 20 0 CAADHN CCN(CCNCC(=O)NC1CC1)C(=O)[C@H](C)NC(N)=O ZINC001320722940 884441442 /nfs/dbraw/zinc/44/14/42/884441442.db2.gz SAGXLFMBCXPWKE-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(CC)CCNCC(N)=O ZINC001320744586 884445349 /nfs/dbraw/zinc/44/53/49/884445349.db2.gz RIMGGSZANAWHFM-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)C(C)(C)C(N)=O ZINC001320758434 884445126 /nfs/dbraw/zinc/44/51/26/884445126.db2.gz KAWDCMFEMMPDNJ-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001320756548 884446104 /nfs/dbraw/zinc/44/61/04/884446104.db2.gz NWJCIECGGTVSJQ-SECBINFHSA-N 0 3 270.333 -1.564 20 0 CAADHN CCNC(=O)CNCCN(CC)C(=O)[C@H]1CCNC1=O ZINC001320811763 884447973 /nfs/dbraw/zinc/44/79/73/884447973.db2.gz SCAOJEPLMVYUGY-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@@H](C)CC(N)=O ZINC001320810670 884448157 /nfs/dbraw/zinc/44/81/57/884448157.db2.gz BPDBQGVOVCEVDA-VIFPVBQESA-N 0 3 272.349 -1.318 20 0 CAADHN CCN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001320831103 884451158 /nfs/dbraw/zinc/45/11/58/884451158.db2.gz JCMVVWWTRGADFH-SNVBAGLBSA-N 0 3 297.359 -1.616 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CNC(=O)N1 ZINC001320832070 884452405 /nfs/dbraw/zinc/45/24/05/884452405.db2.gz OLSJKZZYQMQRBY-SSDOTTSWSA-N 0 3 257.294 -2.409 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001320832072 884452567 /nfs/dbraw/zinc/45/25/67/884452567.db2.gz OLSJKZZYQMQRBY-ZETCQYMHSA-N 0 3 257.294 -2.409 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CCCC(=O)N1C ZINC001320912777 884455833 /nfs/dbraw/zinc/45/58/33/884455833.db2.gz KANLWZMFSKMDJJ-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CN1C(=O)CNC1=O ZINC001320912092 884456162 /nfs/dbraw/zinc/45/61/62/884456162.db2.gz BVYUYVRMFYDUJT-MRVPVSSYSA-N 0 3 299.331 -2.150 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)CCn1cncn1)C(N)=O ZINC001320970205 884457627 /nfs/dbraw/zinc/45/76/27/884457627.db2.gz LMCYPKKTIMLMFP-VMZHVLLKSA-N 0 3 280.332 -1.196 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1COCCO1 ZINC001320979010 884458198 /nfs/dbraw/zinc/45/81/98/884458198.db2.gz MMTSFRRTDJPGLU-WZQADMAKSA-N 0 3 285.344 -1.202 20 0 CAADHN CC[C@@H](NC/C=C/CNC(=O)CN(C)C(C)=O)C(N)=O ZINC001320972493 884458875 /nfs/dbraw/zinc/45/88/75/884458875.db2.gz RABVOICSHPXRQG-MVIFTORASA-N 0 3 284.360 -1.009 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)CCn1cncn1)C(N)=O ZINC001320970212 884459951 /nfs/dbraw/zinc/45/99/51/884459951.db2.gz LMCYPKKTIMLMFP-ZMWSMAPVSA-N 0 3 280.332 -1.196 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1COCCO1 ZINC001320979009 884460026 /nfs/dbraw/zinc/46/00/26/884460026.db2.gz MMTSFRRTDJPGLU-SEUFLZDSSA-N 0 3 285.344 -1.202 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)c1nccnc1N)C(N)=O ZINC001321000973 884461753 /nfs/dbraw/zinc/46/17/53/884461753.db2.gz QYMSTGUWDDNZFE-KZUAUGPASA-N 0 3 278.316 -1.192 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)c1nccnc1N)C(N)=O ZINC001321000975 884462223 /nfs/dbraw/zinc/46/22/23/884462223.db2.gz QYMSTGUWDDNZFE-UFUPEUMYSA-N 0 3 278.316 -1.192 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)c1cnn(C)c1N)C(N)=O ZINC001321026291 884464452 /nfs/dbraw/zinc/46/44/52/884464452.db2.gz AJDUSZZQTNFDMA-VEMNSZJBSA-N 0 3 280.332 -1.248 20 0 CAADHN Cc1nnc(CC(=O)NC/C=C\CN[C@@H](C)C(N)=O)[nH]1 ZINC001321050981 884464700 /nfs/dbraw/zinc/46/47/00/884464700.db2.gz HSALREQZMCISDS-VEMNSZJBSA-N 0 3 280.332 -1.209 20 0 CAADHN Cc1nnc(CC(=O)NC/C=C\CN[C@H]2CCNC2=O)[nH]1 ZINC001321050312 884465033 /nfs/dbraw/zinc/46/50/33/884465033.db2.gz CKZAXJLIPYKQEJ-ZMWSMAPVSA-N 0 3 292.343 -1.194 20 0 CAADHN Cc1nnc(CC(=O)NC/C=C/CN[C@@H](C)C(N)=O)[nH]1 ZINC001321050976 884465696 /nfs/dbraw/zinc/46/56/96/884465696.db2.gz HSALREQZMCISDS-RTMURIBGSA-N 0 3 280.332 -1.209 20 0 CAADHN Cc1nnc(CC(=O)NC/C=C\CN[C@H](C)C(N)=O)[nH]1 ZINC001321050977 884466009 /nfs/dbraw/zinc/46/60/09/884466009.db2.gz HSALREQZMCISDS-TUUFMJSCSA-N 0 3 280.332 -1.209 20 0 CAADHN Cc1nnc(CC(=O)NC/C=C/CN[C@H](C)C(N)=O)[nH]1 ZINC001321050971 884466229 /nfs/dbraw/zinc/46/62/29/884466229.db2.gz HSALREQZMCISDS-MPJRPATESA-N 0 3 280.332 -1.209 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@H]1CC(=O)N(C)C1)C(N)=O ZINC001321082404 884467820 /nfs/dbraw/zinc/46/78/20/884467820.db2.gz GMPMSDVNSUQPFN-OHINUGQQSA-N 0 3 282.344 -1.400 20 0 CAADHN O=C(Cn1ncnn1)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001321062661 884468913 /nfs/dbraw/zinc/46/89/13/884468913.db2.gz CFSJJOROMJELFZ-JWXWKVPASA-N 0 3 293.331 -1.786 20 0 CAADHN NC(=O)CNC/C=C/CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001321211589 884477520 /nfs/dbraw/zinc/47/75/20/884477520.db2.gz OKESWCGPVUYNCV-VWCDRPFISA-N 0 3 292.343 -1.028 20 0 CAADHN CCN1CC[C@H](NC/C=C/CNC(=O)C(N)=O)C1=O ZINC001321224944 884479796 /nfs/dbraw/zinc/47/97/96/884479796.db2.gz XFMWUVJQCUEAAV-NWALNABHSA-N 0 3 268.317 -1.646 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CCN(C)C1=O ZINC001321234719 884480154 /nfs/dbraw/zinc/48/01/54/884480154.db2.gz YFIRJLZPMZOANH-NNOMMRTBSA-N 0 3 296.371 -1.139 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)N(C)C ZINC001321248335 884481554 /nfs/dbraw/zinc/48/15/54/884481554.db2.gz BGEOSRXQHNZIBU-ONMMUWTQSA-N 0 3 296.371 -1.154 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CCN(C)C1=O ZINC001321234720 884481814 /nfs/dbraw/zinc/48/18/14/884481814.db2.gz YFIRJLZPMZOANH-NRFYAWERSA-N 0 3 296.371 -1.139 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)c1cnn(C)n1)C(N)=O ZINC001321288628 884483364 /nfs/dbraw/zinc/48/33/64/884483364.db2.gz FVYAYUTZILQTPM-RTMURIBGSA-N 0 3 266.305 -1.436 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)C[C@@H]1CCC(=O)N1)C(N)=O ZINC001321292620 884484094 /nfs/dbraw/zinc/48/40/94/884484094.db2.gz XEDRCAGUBMEMKU-AQHVTNBVSA-N 0 3 282.344 -1.209 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)c1cnn(C)n1)C(N)=O ZINC001321288626 884484495 /nfs/dbraw/zinc/48/44/95/884484495.db2.gz FVYAYUTZILQTPM-MPJRPATESA-N 0 3 266.305 -1.436 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)C[C@H]1CCC(=O)N1)C(N)=O ZINC001321292622 884484988 /nfs/dbraw/zinc/48/49/88/884484988.db2.gz XEDRCAGUBMEMKU-YLBDSCSXSA-N 0 3 282.344 -1.209 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001321368489 884488794 /nfs/dbraw/zinc/48/87/94/884488794.db2.gz GBNQHFYROLTORD-VHSXEESVSA-N 0 3 296.327 -1.482 20 0 CAADHN COC[C@@H](O)CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001321407054 884492138 /nfs/dbraw/zinc/49/21/38/884492138.db2.gz JYZNOQFOAOUKRE-GZMMTYOYSA-N 0 3 257.290 -1.332 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)C[C@H]1CC(=O)NC1=O)C(N)=O ZINC001321445476 884492201 /nfs/dbraw/zinc/49/22/01/884492201.db2.gz WTGXUVXKSBOTEQ-KAAOYLEMSA-N 0 3 296.327 -1.825 20 0 CAADHN O=C1NC(=O)[C@@]2(CCCN(CCn3cncn3)C2)N1 ZINC001321406835 884492817 /nfs/dbraw/zinc/49/28/17/884492817.db2.gz BVYOCMTZFXIDJH-NSHDSACASA-N 0 3 264.289 -1.048 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)C[C@@H]1CC(=O)NC1=O)C(N)=O ZINC001321445477 884493894 /nfs/dbraw/zinc/49/38/94/884493894.db2.gz WTGXUVXKSBOTEQ-NFLJOPSSSA-N 0 3 296.327 -1.825 20 0 CAADHN Cc1c(C(=O)N[C@H](C)CN[C@@H](C)C(N)=O)nnn1C ZINC001321480610 884495942 /nfs/dbraw/zinc/49/59/42/884495942.db2.gz ODUCKBPUUSQJNI-RQJHMYQMSA-N 0 3 268.321 -1.295 20 0 CAADHN CCNC(=O)CC(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001321499963 884496017 /nfs/dbraw/zinc/49/60/17/884496017.db2.gz BNEHVVONKVSRBX-MRVPVSSYSA-N 0 3 298.347 -1.771 20 0 CAADHN CCn1ncc(C(=O)N[C@H](C)CN[C@H](C)C(N)=O)n1 ZINC001321499601 884496096 /nfs/dbraw/zinc/49/60/96/884496096.db2.gz IAUVWARDBQRVEA-HTQZYQBOSA-N 0 3 268.321 -1.120 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)CNCCS(C)(=O)=O ZINC001321463861 884496150 /nfs/dbraw/zinc/49/61/50/884496150.db2.gz IXMGDAVSFJODTN-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CO[C@@H](C)C(=O)N[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001321468679 884497137 /nfs/dbraw/zinc/49/71/37/884497137.db2.gz FFFLGCRMQWORLE-HRDYMLBCSA-N 0 3 271.317 -1.079 20 0 CAADHN Cc1c(C(=O)N[C@H](C)CN[C@H](C)C(N)=O)nnn1C ZINC001321480609 884497170 /nfs/dbraw/zinc/49/71/70/884497170.db2.gz ODUCKBPUUSQJNI-RNFRBKRXSA-N 0 3 268.321 -1.295 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)CCCOC ZINC001321463943 884497194 /nfs/dbraw/zinc/49/71/94/884497194.db2.gz KAHPDVISJDZNRP-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CO[C@H](C)C(=O)N[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001321468680 884497299 /nfs/dbraw/zinc/49/72/99/884497299.db2.gz FFFLGCRMQWORLE-IWSPIJDZSA-N 0 3 271.317 -1.079 20 0 CAADHN COc1cc(C(=O)N[C@H](C)CNCC(N)=O)on1 ZINC001321499976 884497622 /nfs/dbraw/zinc/49/76/22/884497622.db2.gz CGARLNYEWSRXSF-ZCFIWIBFSA-N 0 3 256.262 -1.124 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1cc[nH]c1 ZINC001321522928 884498912 /nfs/dbraw/zinc/49/89/12/884498912.db2.gz GQVKVQXKGKLLBO-SSDOTTSWSA-N 0 3 267.289 -1.083 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)C(C)(C)C(N)=O ZINC001321552769 884499083 /nfs/dbraw/zinc/49/90/83/884499083.db2.gz ZRTMCHGGYPMFKI-RNFRBKRXSA-N 0 3 258.322 -1.534 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCCN1C(=O)CCC1=O ZINC001321532397 884500661 /nfs/dbraw/zinc/50/06/61/884500661.db2.gz FVEZYEYSXXERIO-SECBINFHSA-N 0 3 298.343 -1.505 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)Cn1ncnn1 ZINC001321522108 884500808 /nfs/dbraw/zinc/50/08/08/884500808.db2.gz CSGOFFAIBROLFS-HTQZYQBOSA-N 0 3 295.303 -2.427 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CCNC1=O ZINC001321610236 884502917 /nfs/dbraw/zinc/50/29/17/884502917.db2.gz WGGZMQFJDXHUGL-SCZZXKLOSA-N 0 3 282.344 -1.505 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CCNC1=O ZINC001321610157 884504036 /nfs/dbraw/zinc/50/40/36/884504036.db2.gz UTMHNKBDUQMLEC-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001321610488 884504233 /nfs/dbraw/zinc/50/42/33/884504233.db2.gz YKCHPQDUWACNBX-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001321609889 884504244 /nfs/dbraw/zinc/50/42/44/884504244.db2.gz RWNJIPJUOGGYQH-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)C1(C(N)=O)CC1 ZINC001321628607 884505401 /nfs/dbraw/zinc/50/54/01/884505401.db2.gz UNPHFSVPJFBAEI-RNFRBKRXSA-N 0 3 256.306 -1.780 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001321628289 884505934 /nfs/dbraw/zinc/50/59/34/884505934.db2.gz RLRIKEBOOIYAES-HTQZYQBOSA-N 0 3 268.317 -1.765 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001321628297 884506262 /nfs/dbraw/zinc/50/62/62/884506262.db2.gz RLRIKEBOOIYAES-SFYZADRCSA-N 0 3 268.317 -1.765 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C1(C(N)=O)CC1 ZINC001321628609 884507243 /nfs/dbraw/zinc/50/72/43/884507243.db2.gz UNPHFSVPJFBAEI-RQJHMYQMSA-N 0 3 256.306 -1.780 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cccnn1 ZINC001321686247 884510654 /nfs/dbraw/zinc/51/06/54/884510654.db2.gz UULGKJZZOZFFCQ-BDAKNGLRSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CN1C(=O)CN(C)C1=O ZINC001321735171 884511977 /nfs/dbraw/zinc/51/19/77/884511977.db2.gz CNYLMPQBDOKZDL-SFYZADRCSA-N 0 3 299.331 -2.152 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CN1C(=O)CN(C)C1=O ZINC001321735170 884513706 /nfs/dbraw/zinc/51/37/06/884513706.db2.gz CNYLMPQBDOKZDL-HTQZYQBOSA-N 0 3 299.331 -2.152 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001321779535 884516293 /nfs/dbraw/zinc/51/62/93/884516293.db2.gz NGINTOSQRKGEOY-YUMQZZPRSA-N 0 3 258.322 -1.649 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cnccn1 ZINC001321779922 884516768 /nfs/dbraw/zinc/51/67/68/884516768.db2.gz VWZHDVQXBRPZJY-QMMMGPOBSA-N 0 3 251.290 -1.070 20 0 CAADHN CC(=O)N[C@@H](C)CNCc1cc(=O)n(C)c(=O)n1C ZINC001321770267 884516910 /nfs/dbraw/zinc/51/69/10/884516910.db2.gz IPSNJFHGJGTJDA-QMMMGPOBSA-N 0 3 268.317 -1.302 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CNCc1n[nH]c(C)n1 ZINC001321778767 884517555 /nfs/dbraw/zinc/51/75/55/884517555.db2.gz ISBWYLNCBHAJRL-ZETCQYMHSA-N 0 3 268.321 -1.156 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001321832453 884519959 /nfs/dbraw/zinc/51/99/59/884519959.db2.gz YRNOVFBIJBRRSG-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC ZINC001321832207 884520487 /nfs/dbraw/zinc/52/04/87/884520487.db2.gz XLTFUHWNEDVDLL-IUCAKERBSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC001321802221 884521115 /nfs/dbraw/zinc/52/11/15/884521115.db2.gz PCOCFBMBDTZMKM-SNVBAGLBSA-N 0 3 296.371 -1.114 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCNC(=O)CC1)C1CC1 ZINC001321801555 884521446 /nfs/dbraw/zinc/52/14/46/884521446.db2.gz IWECZYSHDCDJCQ-UHFFFAOYSA-N 0 3 282.344 -1.455 20 0 CAADHN CCn1nncc1C(=O)N[C@@H](C)CNCC(N)=O ZINC001321843512 884523748 /nfs/dbraw/zinc/52/37/48/884523748.db2.gz UHLAWMVUNWMYSM-ZETCQYMHSA-N 0 3 254.294 -1.509 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001321842417 884523817 /nfs/dbraw/zinc/52/38/17/884523817.db2.gz QDHUWKXUCJYYAA-QMMMGPOBSA-N 0 3 253.306 -1.458 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cn(C)nn1 ZINC001321843249 884523954 /nfs/dbraw/zinc/52/39/54/884523954.db2.gz ODDQOBKTIUIGTH-YUMQZZPRSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1cn(C)nn1 ZINC001321842713 884524293 /nfs/dbraw/zinc/52/42/93/884524293.db2.gz BOLWXJSCAZQVLE-QMMMGPOBSA-N 0 3 268.321 -1.389 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cn(C)nn1 ZINC001321843048 884524661 /nfs/dbraw/zinc/52/46/61/884524661.db2.gz KAEIMIBAHPLVKA-JGVFFNPUSA-N 0 3 266.305 -1.589 20 0 CAADHN Cc1nnccc1C(=O)N[C@@H](C)CNCC(N)=O ZINC001321909313 884525866 /nfs/dbraw/zinc/52/58/66/884525866.db2.gz PONGYKNIVDZUSE-ZETCQYMHSA-N 0 3 251.290 -1.022 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)C(C)(C)C(N)=O ZINC001321878924 884526441 /nfs/dbraw/zinc/52/64/41/884526441.db2.gz UWEONPYWUOROFV-YUMQZZPRSA-N 0 3 298.343 -1.603 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C(C)(C)C)C1=O)NC(=O)C(N)=O ZINC001321966701 884528975 /nfs/dbraw/zinc/52/89/75/884528975.db2.gz SXOCWIROISPCCS-DTWKUNHWSA-N 0 3 284.360 -1.035 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001321969737 884529301 /nfs/dbraw/zinc/52/93/01/884529301.db2.gz YBZOWZVUZKPWJS-VIFPVBQESA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001321969761 884530423 /nfs/dbraw/zinc/53/04/23/884530423.db2.gz YQZUIGIRFCAZQP-JGVFFNPUSA-N 0 3 296.327 -1.849 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@H](C)CNCCS(C)(=O)=O ZINC001321946298 884530679 /nfs/dbraw/zinc/53/06/79/884530679.db2.gz FWSJHYIEAAMDQY-BDAKNGLRSA-N 0 3 293.389 -1.363 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1ccncn1 ZINC001322024177 884532637 /nfs/dbraw/zinc/53/26/37/884532637.db2.gz YXUVVYUTUJKJBB-DTWKUNHWSA-N 0 3 291.311 -1.010 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)C1(C(=O)NC)CC1)C(N)=O ZINC001322023385 884533590 /nfs/dbraw/zinc/53/35/90/884533590.db2.gz HZJMOORIFWGBHD-IUCAKERBSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)Cc1c[nH]cn1 ZINC001322002470 884533679 /nfs/dbraw/zinc/53/36/79/884533679.db2.gz LOLPZALOTQASDX-WPRPVWTQSA-N 0 3 265.317 -1.065 20 0 CAADHN COC[C@H](CNC(=O)C(=O)NCCN(C)C1CC1)OC ZINC001322025447 884533803 /nfs/dbraw/zinc/53/38/03/884533803.db2.gz NTKYQJPFJDNMNK-NSHDSACASA-N 0 3 287.360 -1.026 20 0 CAADHN CN(CCNC(=O)C(=O)N1CC[C@H](NC(N)=O)C1)C1CC1 ZINC001322024665 884534319 /nfs/dbraw/zinc/53/43/19/884534319.db2.gz IMGNIBHCUVADGE-VIFPVBQESA-N 0 3 297.359 -1.534 20 0 CAADHN C[C@@H](CNCCF)NC(=O)Cn1ncn2nccc2c1=O ZINC001322003978 884534350 /nfs/dbraw/zinc/53/43/50/884534350.db2.gz IWLZUGNKVFRTEG-VIFPVBQESA-N 0 3 296.306 -1.045 20 0 CAADHN C[C@H](CN(C)CCOCCO)NC(=O)[C@H]1COC(=O)N1 ZINC001322150160 884537070 /nfs/dbraw/zinc/53/70/70/884537070.db2.gz YOGACLFUOIEMLO-NXEZZACHSA-N 0 3 289.332 -1.460 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CC(=O)NCC(F)(F)F ZINC001322032936 884537229 /nfs/dbraw/zinc/53/72/29/884537229.db2.gz QEDIDAQSDVCCCK-LURJTMIESA-N 0 3 298.265 -1.365 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)c1cc(=O)n(C)cn1 ZINC001322176027 884540168 /nfs/dbraw/zinc/54/01/68/884540168.db2.gz NACPVMATZYQVNJ-SECBINFHSA-N 0 3 268.317 -1.177 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001322194713 884542596 /nfs/dbraw/zinc/54/25/96/884542596.db2.gz VPZCXEOYQJMFSP-NXEZZACHSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(CCNC(=O)C(=O)NCCn1cncn1)C1CC1 ZINC001322398721 884549891 /nfs/dbraw/zinc/54/98/91/884549891.db2.gz YIFVEMXAGJFKIY-UHFFFAOYSA-N 0 3 280.332 -1.395 20 0 CAADHN CCN1CCN(CCNC(=S)NCC(N)=O)CC1 ZINC001322366535 884549930 /nfs/dbraw/zinc/54/99/30/884549930.db2.gz YQWCSROYXJOQFB-UHFFFAOYSA-N 0 3 273.406 -1.427 20 0 CAADHN COCCN1CCC(NC(=O)C(=O)N(C)CCO)CC1 ZINC001322371654 884550756 /nfs/dbraw/zinc/55/07/56/884550756.db2.gz LUJSOMQEUXLFPX-UHFFFAOYSA-N 0 3 287.360 -1.336 20 0 CAADHN CN(C)C(=O)C[NH2+]CCCN(C)C(=O)c1cn[n-]n1 ZINC001322592518 884563196 /nfs/dbraw/zinc/56/31/96/884563196.db2.gz PODFHOBLLIFTCU-UHFFFAOYSA-N 0 3 268.321 -1.055 20 0 CAADHN CN(CCNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC001322649708 884566076 /nfs/dbraw/zinc/56/60/76/884566076.db2.gz KPIXVJUMVANPJC-SECBINFHSA-N 0 3 282.344 -1.456 20 0 CAADHN Cc1cc(NC(=O)CNCCCN(C)C(=O)C(N)=O)no1 ZINC001322672957 884571575 /nfs/dbraw/zinc/57/15/75/884571575.db2.gz NWLAHYUGMXQNJY-UHFFFAOYSA-N 0 3 297.315 -1.155 20 0 CAADHN CCN1CCN(CCC(=O)N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001322781412 884576825 /nfs/dbraw/zinc/57/68/25/884576825.db2.gz QDWVJUFLZJUGEP-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CN1CC[C@H](NC[C@@H](NC(=O)CC(N)=O)C2CC2)C1=O ZINC001322977918 884589453 /nfs/dbraw/zinc/58/94/53/884589453.db2.gz ZRSXGNPFLJRKRL-VHSXEESVSA-N 0 3 282.344 -1.423 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001322959825 884589490 /nfs/dbraw/zinc/58/94/90/884589490.db2.gz NHXDKUOVYLCGMF-MRVPVSSYSA-N 0 3 267.293 -2.357 20 0 CAADHN NC(=O)CC(=O)N[C@@H](CNCC(=O)NC1CC1)C1CC1 ZINC001322976205 884590703 /nfs/dbraw/zinc/59/07/03/884590703.db2.gz PMELJGLHTCCICN-JTQLQIEISA-N 0 3 282.344 -1.375 20 0 CAADHN NC(=O)c1ncn(CC(=O)N[C@H](CNCCF)C2CC2)n1 ZINC001323000677 884593293 /nfs/dbraw/zinc/59/32/93/884593293.db2.gz QCWYJGGLBLAJAI-SECBINFHSA-N 0 3 298.322 -1.169 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)NCc1nnn(C)n1 ZINC001323003545 884594349 /nfs/dbraw/zinc/59/43/49/884594349.db2.gz DJYGXQWPCXSZKI-UHFFFAOYSA-N 0 3 295.347 -1.620 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)C(=O)NCC1CC1)C1CC1)C(N)=O ZINC001323089621 884595982 /nfs/dbraw/zinc/59/59/82/884595982.db2.gz NCFFYQPLBGKPOO-KCJUWKMLSA-N 0 3 296.371 -1.129 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)C(=O)NCC1CC1)C1CC1)C(N)=O ZINC001323089624 884596577 /nfs/dbraw/zinc/59/65/77/884596577.db2.gz NCFFYQPLBGKPOO-LDYMZIIASA-N 0 3 296.371 -1.129 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](CN[C@H](C)C(N)=O)C2CC2)CC1 ZINC001323080490 884596660 /nfs/dbraw/zinc/59/66/60/884596660.db2.gz IMBRJORPIWFBFF-PSASIEDQSA-N 0 3 296.371 -1.129 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](CN[C@@H](C)C(N)=O)C2CC2)CC1 ZINC001323080493 884597570 /nfs/dbraw/zinc/59/75/70/884597570.db2.gz IMBRJORPIWFBFF-WPRPVWTQSA-N 0 3 296.371 -1.129 20 0 CAADHN C[C@H](NC[C@H](NC(=O)C(=O)NCC1CC1)C1CC1)C(N)=O ZINC001323089622 884597668 /nfs/dbraw/zinc/59/76/68/884597668.db2.gz NCFFYQPLBGKPOO-KWQFWETISA-N 0 3 296.371 -1.129 20 0 CAADHN CN1CC[C@H](NC[C@H](NC(=O)C(N)=O)C2CC2)C1=O ZINC001323063044 884597942 /nfs/dbraw/zinc/59/79/42/884597942.db2.gz DLSKWLVPLPMONC-IUCAKERBSA-N 0 3 268.317 -1.813 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)NCc1ncn(C)n1 ZINC001323245042 884604523 /nfs/dbraw/zinc/60/45/23/884604523.db2.gz XHIWIJPXVZCEQZ-UHFFFAOYSA-N 0 3 294.359 -1.015 20 0 CAADHN C[C@H](NC(=O)C(=O)NCCN(C)C1CC1)C(=O)N(C)C ZINC001323287093 884608332 /nfs/dbraw/zinc/60/83/32/884608332.db2.gz SUXGWPZBUUWQDW-VIFPVBQESA-N 0 3 284.360 -1.210 20 0 CAADHN Nc1nnc(CNC(=O)[C@@H]2CN3CCN2CCC3)o1 ZINC001323296259 884610759 /nfs/dbraw/zinc/61/07/59/884610759.db2.gz AKOJSSQTHSCMFA-QMMMGPOBSA-N 0 3 266.305 -1.342 20 0 CAADHN NC(=O)NC(=O)OCCCN1CC[C@@H](NC(N)=O)C1 ZINC001323381755 884613544 /nfs/dbraw/zinc/61/35/44/884613544.db2.gz ZCJQXOYMYFDXQK-SSDOTTSWSA-N 0 3 273.293 -1.076 20 0 CAADHN CN(CCNC(=O)C(=O)N[C@H]1CCN(C)C1=O)C1CC1 ZINC001323503182 884620208 /nfs/dbraw/zinc/62/02/08/884620208.db2.gz XKASDOOHQVMAGI-JTQLQIEISA-N 0 3 282.344 -1.456 20 0 CAADHN COC[C@H](O)CNC1(CNC(=O)C(=O)NCC2CC2)CC1 ZINC001323578712 884625002 /nfs/dbraw/zinc/62/50/02/884625002.db2.gz AUXHUXKIQKQBME-LLVKDONJSA-N 0 3 299.371 -1.242 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001323635763 884628405 /nfs/dbraw/zinc/62/84/05/884628405.db2.gz UBHBLPWLUKJVCJ-BQBZGAKWSA-N 0 3 258.278 -2.377 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001323633216 884628792 /nfs/dbraw/zinc/62/87/92/884628792.db2.gz CIDTZSCCLZZGBH-GMTAPVOTSA-N 0 3 267.329 -1.068 20 0 CAADHN COC(=O)N1CC(NC(=O)C(=O)N(C)CCN(C)C)C1 ZINC001323843913 884637626 /nfs/dbraw/zinc/63/76/26/884637626.db2.gz ZJFJYESPUTWTOM-UHFFFAOYSA-N 0 3 286.332 -1.427 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)Nc1cnnn1C ZINC001323907712 884641279 /nfs/dbraw/zinc/64/12/79/884641279.db2.gz UZOVPYIIJGRBHM-UHFFFAOYSA-N 0 3 254.294 -1.226 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CC(N)=O ZINC001324130726 884650945 /nfs/dbraw/zinc/65/09/45/884650945.db2.gz QEJXCPWBHCOJFJ-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001324206224 884655226 /nfs/dbraw/zinc/65/52/26/884655226.db2.gz HHQYGBULDQQQKN-MRVPVSSYSA-N 0 3 266.305 -1.207 20 0 CAADHN NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1nc[n-]n1 ZINC001324252326 884657112 /nfs/dbraw/zinc/65/71/12/884657112.db2.gz ZUMCGGMYPZYLRI-ZETCQYMHSA-N 0 3 252.278 -1.516 20 0 CAADHN CCCCNC(=O)CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001324223267 884657641 /nfs/dbraw/zinc/65/76/41/884657641.db2.gz VBSZWVVIKGOYQU-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CN1C(=O)CNC1=O ZINC001324278255 884660392 /nfs/dbraw/zinc/66/03/92/884660392.db2.gz UERIPRUHGIWFLS-MRVPVSSYSA-N 0 3 297.315 -2.396 20 0 CAADHN C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)C1=CCN(C)CC1 ZINC001324390059 884667737 /nfs/dbraw/zinc/66/77/37/884667737.db2.gz KLJXVUVWTQDGIY-JTQLQIEISA-N 0 3 296.371 -1.043 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CC(N)=O)C1CCCC1 ZINC001324467817 884675601 /nfs/dbraw/zinc/67/56/01/884675601.db2.gz VHRREZHQRISGNK-VIFPVBQESA-N 0 3 270.333 -1.388 20 0 CAADHN C[C@]1(NC(=O)CC[C@H]2NC(=O)NC2=O)CCN(CCO)C1 ZINC001324668751 884686630 /nfs/dbraw/zinc/68/66/30/884686630.db2.gz IJPQYMTXEYWJAP-RNCFNFMXSA-N 0 3 298.343 -1.453 20 0 CAADHN C[C@]1(NC(=O)C[C@H]2CC(=O)NC2=O)CCN(CCO)C1 ZINC001324681140 884686858 /nfs/dbraw/zinc/68/68/58/884686858.db2.gz SZQDQPTWYZRIEF-RNCFNFMXSA-N 0 3 283.328 -1.388 20 0 CAADHN CC1(CNC(=O)C(N)=O)CCN([C@H]2CCNC2=O)CC1 ZINC001324880574 884694771 /nfs/dbraw/zinc/69/47/71/884694771.db2.gz OTDNFNREMUXYNY-VIFPVBQESA-N 0 3 282.344 -1.422 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ncn(C)n1 ZINC001324954486 884696555 /nfs/dbraw/zinc/69/65/55/884696555.db2.gz ZWSBGWRQOUNVLX-UHFFFAOYSA-N 0 3 298.347 -1.210 20 0 CAADHN NC(=O)CC1CN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC001325029824 884701728 /nfs/dbraw/zinc/70/17/28/884701728.db2.gz RCTNAPMPZLQESX-LLVKDONJSA-N 0 3 266.345 -1.290 20 0 CAADHN CN(C)CCn1nccc1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001325072876 884704494 /nfs/dbraw/zinc/70/44/94/884704494.db2.gz GLBSHQFNHBCSPG-QMMMGPOBSA-N 0 3 294.315 -1.019 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCOCCO)C1)c1ccon1 ZINC001325069319 884706603 /nfs/dbraw/zinc/70/66/03/884706603.db2.gz GFHGXCVRKRDBCR-CYBMUJFWSA-N 0 3 299.327 -1.150 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001325271635 884726873 /nfs/dbraw/zinc/72/68/73/884726873.db2.gz USLXVQRUESACAT-GHMZBOCLSA-N 0 3 255.318 -1.210 20 0 CAADHN NC(=O)NC(=O)OCCCN1CC[C@H](CO)[C@@H](O)C1 ZINC001325346693 884728657 /nfs/dbraw/zinc/72/86/57/884728657.db2.gz YLIJTNNLSZYERO-BDAKNGLRSA-N 0 3 275.305 -1.144 20 0 CAADHN COC[C@H](CNC(=O)C(=O)N(C)CCN(C)C)OC ZINC001325703986 884740402 /nfs/dbraw/zinc/74/04/02/884740402.db2.gz ZMMXQOKOONBPQN-JTQLQIEISA-N 0 3 275.349 -1.216 20 0 CAADHN NC(=O)NC(=O)CCNCCS(=O)(=O)CC1CC1 ZINC001325844502 884744546 /nfs/dbraw/zinc/74/45/46/884744546.db2.gz VWLJRLZDHGSVFQ-UHFFFAOYSA-N 0 3 277.346 -1.014 20 0 CAADHN O=C(Cn1cnnn1)N(CCO)CCNCCF ZINC001325969134 884751266 /nfs/dbraw/zinc/75/12/66/884751266.db2.gz GXCQBJDOBFQZQV-UHFFFAOYSA-N 0 3 260.273 -1.947 20 0 CAADHN CNC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC001325664137 884737620 /nfs/dbraw/zinc/73/76/20/884737620.db2.gz VMHDDYLLJAQUKI-JTQLQIEISA-N 0 3 256.350 -1.268 20 0 CAADHN CNC(=O)CCCNC(=O)C(=O)N(C)CCN(C)C ZINC001325710980 884741742 /nfs/dbraw/zinc/74/17/42/884741742.db2.gz WMQVCTDZNYJUTL-UHFFFAOYSA-N 0 3 272.349 -1.351 20 0 CAADHN CN(CCNC(=O)C(=O)NCC(=O)N1CCCC1)C1CC1 ZINC001325822495 884743568 /nfs/dbraw/zinc/74/35/68/884743568.db2.gz PLOUFWZQTHKPSZ-UHFFFAOYSA-N 0 3 296.371 -1.065 20 0 CAADHN CCN1CCN(CCCNC(=S)NCC(N)=O)CC1 ZINC001325838187 884743594 /nfs/dbraw/zinc/74/35/94/884743594.db2.gz WLEFYEFKJUZYPQ-UHFFFAOYSA-N 0 3 287.433 -1.037 20 0 CAADHN COCC(=O)N[C@]1(CO)CCCN(CCCO)C1 ZINC001325817096 884743964 /nfs/dbraw/zinc/74/39/64/884743964.db2.gz FSTKVTYWDOINBD-GFCCVEGCSA-N 0 3 260.334 -1.042 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@H]2CNCCO2)CC1=O ZINC001325854979 884748187 /nfs/dbraw/zinc/74/81/87/884748187.db2.gz BEXRJZWHFVQRJV-NXEZZACHSA-N 0 3 255.318 -1.041 20 0 CAADHN O=C(N[C@]1(CO)CCCN(CCCO)C1)[C@H]1CCNC1=O ZINC001325849666 884748696 /nfs/dbraw/zinc/74/86/96/884748696.db2.gz UCCQUMGHIMKIHZ-SMDDNHRTSA-N 0 3 299.371 -1.552 20 0 CAADHN O=C(N[C@@]1(CO)CCCN(CCCO)C1)[C@@H]1CCNC1=O ZINC001325849663 884748778 /nfs/dbraw/zinc/74/87/78/884748778.db2.gz UCCQUMGHIMKIHZ-RISCZKNCSA-N 0 3 299.371 -1.552 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C1=COCCO1 ZINC001325969514 884750469 /nfs/dbraw/zinc/75/04/69/884750469.db2.gz OVUUBPVBDIRASX-UHFFFAOYSA-N 0 3 273.289 -2.230 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)C(C)(C)F ZINC001325958224 884750998 /nfs/dbraw/zinc/75/09/98/884750998.db2.gz YASGKVHTOFYIGE-UHFFFAOYSA-N 0 3 263.313 -1.109 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(CCO)CCNCC(N)=O ZINC001325969102 884751052 /nfs/dbraw/zinc/75/10/52/884751052.db2.gz FTEIXOTZNQUJBE-MRVPVSSYSA-N 0 3 274.321 -2.593 20 0 CAADHN CC(C)(F)C(=O)N(CCO)CCNCC(=O)NC(N)=O ZINC001325955772 884752140 /nfs/dbraw/zinc/75/21/40/884752140.db2.gz AXDAKLBGNDGYPH-UHFFFAOYSA-N 0 3 292.311 -1.660 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)CN1CCCC1=O ZINC001325970021 884752522 /nfs/dbraw/zinc/75/25/22/884752522.db2.gz ZPSACSZRJRVGPN-UHFFFAOYSA-N 0 3 286.332 -2.495 20 0 CAADHN CC(=O)N(CCO)CCN[C@H]1CCC(=O)NC1=O ZINC001325956626 884752776 /nfs/dbraw/zinc/75/27/76/884752776.db2.gz GJTXXEUMWXINEN-VIFPVBQESA-N 0 3 257.290 -1.778 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cncc(F)c1 ZINC001326002336 884753910 /nfs/dbraw/zinc/75/39/10/884753910.db2.gz YQOSSAMPRHZMOW-UHFFFAOYSA-N 0 3 298.318 -1.009 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CC(CO)C1 ZINC001326013376 884754725 /nfs/dbraw/zinc/75/47/25/884754725.db2.gz NNQFSGYDKVLBQJ-NWDGAFQWSA-N 0 3 297.355 -1.584 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1ocnc1C ZINC001325997932 884755343 /nfs/dbraw/zinc/75/53/43/884755343.db2.gz ZTEXMUMHTKMMST-UHFFFAOYSA-N 0 3 284.316 -1.247 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1CCNC(=O)C1 ZINC001326002035 884755562 /nfs/dbraw/zinc/75/55/62/884755562.db2.gz SDAUMRAFFNTYMW-SECBINFHSA-N 0 3 286.332 -2.592 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CC(CO)C1 ZINC001326013378 884755950 /nfs/dbraw/zinc/75/59/50/884755950.db2.gz NNQFSGYDKVLBQJ-VXGBXAGGSA-N 0 3 297.355 -1.584 20 0 CAADHN O=C(CNCCN(CCO)C(=O)c1ccon1)NC1CC1 ZINC001325984150 884756338 /nfs/dbraw/zinc/75/63/38/884756338.db2.gz OMPJQSWWSFUXBR-UHFFFAOYSA-N 0 3 296.327 -1.023 20 0 CAADHN CC1(C)CN(CCN2C(=O)CNC2=O)CCN1CCO ZINC001325985790 884756995 /nfs/dbraw/zinc/75/69/95/884756995.db2.gz RPJFKUBBZHZZGF-UHFFFAOYSA-N 0 3 284.360 -1.073 20 0 CAADHN O=C(C[C@@H]1CNCCO1)NCCN1C(=O)CNC1=O ZINC001326013482 884757065 /nfs/dbraw/zinc/75/70/65/884757065.db2.gz DXTSMVPQCHPHRB-MRVPVSSYSA-N 0 3 270.289 -1.967 20 0 CAADHN CCn1ccnc1C(=O)N(CCO)CCNCC(=O)NC ZINC001326012868 884757122 /nfs/dbraw/zinc/75/71/22/884757122.db2.gz WMOAAQIYFYXWEA-UHFFFAOYSA-N 0 3 297.359 -1.327 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cccc(=O)[nH]1 ZINC001325997122 884757213 /nfs/dbraw/zinc/75/72/13/884757213.db2.gz CRWBCFGSWUXGNI-UHFFFAOYSA-N 0 3 296.327 -1.443 20 0 CAADHN O=C(C[C@H]1CCNC1=O)N(CCO)CCNCCF ZINC001326032983 884758381 /nfs/dbraw/zinc/75/83/81/884758381.db2.gz ILOGRDLZJVOGTH-SNVBAGLBSA-N 0 3 275.324 -1.107 20 0 CAADHN CC(C)(N)C(=O)NCCOCCS(C)(=O)=O ZINC001326019178 884759078 /nfs/dbraw/zinc/75/90/78/884759078.db2.gz VRZXZESJJWJFSJ-UHFFFAOYSA-N 0 3 252.336 -1.099 20 0 CAADHN CC(C)n1nccc1C(=O)N(CCO)CCNCC(N)=O ZINC001326034278 884759313 /nfs/dbraw/zinc/75/93/13/884759313.db2.gz ZNXNITDRJQQNJD-UHFFFAOYSA-N 0 3 297.359 -1.027 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1C[C@@H](C)CO1 ZINC001326061791 884763378 /nfs/dbraw/zinc/76/33/78/884763378.db2.gz GCKRBFKUXYWKPW-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN CNCC(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC001326052270 884763454 /nfs/dbraw/zinc/76/34/54/884763454.db2.gz PDFUNTBYKLQHAN-UHFFFAOYSA-N 0 3 269.305 -1.196 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)c1cncn1C ZINC001326056530 884764137 /nfs/dbraw/zinc/76/41/37/884764137.db2.gz NDKBZYYXZHZSRU-UHFFFAOYSA-N 0 3 297.359 -1.420 20 0 CAADHN C[C@@H]1OCC[C@@H]1C(=O)N(CCO)CCNCC(N)=O ZINC001326120491 884770148 /nfs/dbraw/zinc/77/01/48/884770148.db2.gz ZQGHYZLMEFSBND-UWVGGRQHSA-N 0 3 273.333 -1.693 20 0 CAADHN Cc1nc(C(=O)N(CCO)CCNCC(N)=O)c(C)o1 ZINC001326119748 884769955 /nfs/dbraw/zinc/76/99/55/884769955.db2.gz PQIWICUEAWWNJV-UHFFFAOYSA-N 0 3 284.316 -1.199 20 0 CAADHN O=C(Cc1ncn[nH]1)N(CCO)CCNCc1ccon1 ZINC001326122161 884770996 /nfs/dbraw/zinc/77/09/96/884770996.db2.gz PNKIOMPVLKQLBH-UHFFFAOYSA-N 0 3 294.315 -1.054 20 0 CAADHN CCS(=O)(=O)CCNC[C@H](O)Cn1ccnn1 ZINC001326200504 884773058 /nfs/dbraw/zinc/77/30/58/884773058.db2.gz CAZMLCWMLAAVNT-VIFPVBQESA-N 0 3 262.335 -1.337 20 0 CAADHN Cc1cc(NC(=O)CCNC[C@@H](O)C(N)=O)no1 ZINC001326202354 884773082 /nfs/dbraw/zinc/77/30/82/884773082.db2.gz PDJLLVDLBCMVLW-SSDOTTSWSA-N 0 3 256.262 -1.253 20 0 CAADHN Cc1cc(NC(=O)CCNC[C@H](O)C(N)=O)no1 ZINC001326202355 884774542 /nfs/dbraw/zinc/77/45/42/884774542.db2.gz PDJLLVDLBCMVLW-ZETCQYMHSA-N 0 3 256.262 -1.253 20 0 CAADHN CSCC[C@H](N)C(=O)NCCN1C(=O)CNC1=O ZINC001326325053 884783023 /nfs/dbraw/zinc/78/30/23/884783023.db2.gz FKZSSDOFBUYGRE-ZETCQYMHSA-N 0 3 274.346 -1.265 20 0 CAADHN NC(=O)COCCNC(=O)CNC[C@@H]1CCCO1 ZINC001326338729 884785998 /nfs/dbraw/zinc/78/59/98/884785998.db2.gz AOQAQQVYHGZGDW-VIFPVBQESA-N 0 3 259.306 -1.627 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NC[C@H]1CNCCO1 ZINC001326451049 884796205 /nfs/dbraw/zinc/79/62/05/884796205.db2.gz KVBZNKOSEOQQEV-MRVPVSSYSA-N 0 3 265.335 -2.018 20 0 CAADHN COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)N(C)CCN(C)C ZINC001326537337 884804351 /nfs/dbraw/zinc/80/43/51/884804351.db2.gz NTCAIDKACSBYAN-GHMZBOCLSA-N 0 3 287.360 -1.385 20 0 CAADHN Cn1cc(CNC(=O)NC[C@@H]2CNCCO2)nn1 ZINC001326535839 884804755 /nfs/dbraw/zinc/80/47/55/884804755.db2.gz ZBFDXISUPTTYNY-VIFPVBQESA-N 0 3 254.294 -1.397 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCc1cn(C)nn1 ZINC001326702898 884821897 /nfs/dbraw/zinc/82/18/97/884821897.db2.gz OPWNDLITPXSOIF-NSHDSACASA-N 0 3 294.359 -1.016 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001326753680 884825788 /nfs/dbraw/zinc/82/57/88/884825788.db2.gz OYFHNASSQLBMSB-SNVBAGLBSA-N 0 3 296.371 -1.114 20 0 CAADHN Cc1noc(CN(C)C(=O)C(=O)NC[C@@H]2CNCCO2)n1 ZINC001326807059 884834355 /nfs/dbraw/zinc/83/43/55/884834355.db2.gz KFDDZUCBUQIIJY-VIFPVBQESA-N 0 3 297.315 -1.559 20 0 CAADHN NC(=O)[C@@]1(NC(=O)C[C@H]2CNCCO2)CCOC1 ZINC001326828115 884839255 /nfs/dbraw/zinc/83/92/55/884839255.db2.gz IINDVWLVDNSIKS-GZMMTYOYSA-N 0 3 257.290 -1.875 20 0 CAADHN CO[C@@H](C)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001326952443 884850076 /nfs/dbraw/zinc/85/00/76/884850076.db2.gz ZFCJPINCFCRAHF-DTWKUNHWSA-N 0 3 259.306 -1.676 20 0 CAADHN CC(C)NC(=O)CNC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001327019791 884854302 /nfs/dbraw/zinc/85/43/02/884854302.db2.gz MBSCWKPADRMTPK-SECBINFHSA-N 0 3 286.332 -2.187 20 0 CAADHN O=C([C@@H]1CCC(=O)NC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001327127677 884863387 /nfs/dbraw/zinc/86/33/87/884863387.db2.gz MHRZYVTYMRAFRP-OUAUKWLOSA-N 0 3 267.329 -1.210 20 0 CAADHN CC[C@@H](N)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC001327181481 884868321 /nfs/dbraw/zinc/86/83/21/884868321.db2.gz QHLHQMGGDDTKTA-SECBINFHSA-N 0 3 263.363 -1.430 20 0 CAADHN CC(=O)NC(=O)CSc1nnnn1CCN(C)C ZINC001327206813 884868413 /nfs/dbraw/zinc/86/84/13/884868413.db2.gz ORKBWYBDISFGOY-UHFFFAOYSA-N 0 3 272.334 -1.011 20 0 CAADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCC2)CC1=O ZINC001327324392 884879763 /nfs/dbraw/zinc/87/97/63/884879763.db2.gz XJKYHHFZRGAWBL-UHFFFAOYSA-N 0 3 282.344 -1.549 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001327408913 884887841 /nfs/dbraw/zinc/88/78/41/884887841.db2.gz ONWMOVWMDSYMBI-HLTSFMKQSA-N 0 3 289.282 -1.186 20 0 CAADHN CN(Cc1cn(C)nn1)C(=O)NC[C@@H]1CNCCO1 ZINC001327470171 884890283 /nfs/dbraw/zinc/89/02/83/884890283.db2.gz BHRADZYWNDDERE-JTQLQIEISA-N 0 3 268.321 -1.055 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCc1cn(C)nn1 ZINC001327468484 884891393 /nfs/dbraw/zinc/89/13/93/884891393.db2.gz MJQZUVCOSBDOGQ-UHFFFAOYSA-N 0 3 268.321 -1.549 20 0 CAADHN CN(CC1=CCCOC1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001327487702 884894290 /nfs/dbraw/zinc/89/42/90/884894290.db2.gz YZNXSBQMYBMFEM-LBPRGKRZSA-N 0 3 297.355 -1.104 20 0 CAADHN COCCN(C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001327500939 884894331 /nfs/dbraw/zinc/89/43/31/884894331.db2.gz WOZPDJNPDAICAS-UHFFFAOYSA-N 0 3 297.315 -1.638 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O ZINC001327839766 884931795 /nfs/dbraw/zinc/93/17/95/884931795.db2.gz AZSPHRKHQSDPAR-RQJHMYQMSA-N 0 3 265.335 -2.001 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)C(=O)N(C)CCN)CS1(=O)=O ZINC001327524702 884897650 /nfs/dbraw/zinc/89/76/50/884897650.db2.gz QJEMINBUTWFBRU-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN CCOCCN[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001327590769 884906541 /nfs/dbraw/zinc/90/65/41/884906541.db2.gz IGOHULFLKHMALM-GFCCVEGCSA-N 0 3 273.333 -1.549 20 0 CAADHN COCCN[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001327593707 884909652 /nfs/dbraw/zinc/90/96/52/884909652.db2.gz ZLWAUOWMNQYPOU-NSHDSACASA-N 0 3 259.306 -1.939 20 0 CAADHN CCn1nccc1CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001327658396 884918353 /nfs/dbraw/zinc/91/83/53/884918353.db2.gz ICABLZZBUAIQOM-NSHDSACASA-N 0 3 295.343 -1.376 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)N2CCOC3(CNC3)C2)c1 ZINC001327704022 884920384 /nfs/dbraw/zinc/92/03/84/884920384.db2.gz LLHLSCWKWVAACO-UHFFFAOYSA-N 0 3 264.285 -1.072 20 0 CAADHN COC(=O)NC1CN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC001327822324 884928739 /nfs/dbraw/zinc/92/87/39/884928739.db2.gz JHVVFKLWWVWYRK-UHFFFAOYSA-N 0 3 298.343 -1.236 20 0 CAADHN CN(CCS(C)(=O)=O)C(=O)C1=NO[C@H](CN)C1 ZINC001327918824 884937944 /nfs/dbraw/zinc/93/79/44/884937944.db2.gz PRXRLTAIQFFIOP-ZETCQYMHSA-N 0 3 263.319 -1.407 20 0 CAADHN CN(CCS(C)(=O)=O)C(=O)C1=NO[C@@H](CN)C1 ZINC001327918806 884938968 /nfs/dbraw/zinc/93/89/68/884938968.db2.gz PRXRLTAIQFFIOP-SSDOTTSWSA-N 0 3 263.319 -1.407 20 0 CAADHN NC[C@@H]1CC(C(=O)N[C@H]2CCS(=O)(=O)C2)=NO1 ZINC001327915690 884939113 /nfs/dbraw/zinc/93/91/13/884939113.db2.gz CNHXEZVIANDQPJ-BQBZGAKWSA-N 0 3 261.303 -1.607 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1C ZINC001327922850 884939310 /nfs/dbraw/zinc/93/93/10/884939310.db2.gz HPPHQRWUZCBQBH-VHSXEESVSA-N 0 3 296.371 -1.305 20 0 CAADHN NC[C@@H]1CC(C(=O)N[C@@H]2CCS(=O)(=O)C2)=NO1 ZINC001327915710 884939596 /nfs/dbraw/zinc/93/95/96/884939596.db2.gz CNHXEZVIANDQPJ-RQJHMYQMSA-N 0 3 261.303 -1.607 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@@H]1C ZINC001327922849 884939639 /nfs/dbraw/zinc/93/96/39/884939639.db2.gz HPPHQRWUZCBQBH-UWVGGRQHSA-N 0 3 296.371 -1.305 20 0 CAADHN CCCNC(=O)CN[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001327903530 884940737 /nfs/dbraw/zinc/94/07/37/884940737.db2.gz OJZLEUJOZCNJTP-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)C1(C(=O)N2C[C@H](NCC(N)=O)[C@@H](C)C2)CCC1 ZINC001327942561 884942586 /nfs/dbraw/zinc/94/25/86/884942586.db2.gz VNOCMDCWPQKNMQ-UWVGGRQHSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@@H](NCC(N)=O)C2)CCC1 ZINC001327942565 884943710 /nfs/dbraw/zinc/94/37/10/884943710.db2.gz VNOCMDCWPQKNMQ-ZJUUUORDSA-N 0 3 296.371 -1.176 20 0 CAADHN CS(=O)(=O)NCCNCCC(=O)NC(N)=O ZINC001327976092 884946039 /nfs/dbraw/zinc/94/60/39/884946039.db2.gz YUXLLAKBBXPZAQ-UHFFFAOYSA-N 0 3 252.296 -2.290 20 0 CAADHN CCS(=O)(=O)CCNCCC(=O)NC(N)=O ZINC001327977112 884947208 /nfs/dbraw/zinc/94/72/08/884947208.db2.gz FQSCOLIOSCWAST-UHFFFAOYSA-N 0 3 251.308 -1.404 20 0 CAADHN O=C([C@@H]1CCC(=O)NC1)N1CCOC2(CNC2)C1 ZINC001328070367 884951701 /nfs/dbraw/zinc/95/17/01/884951701.db2.gz AVUAVGHKHCKBAF-SECBINFHSA-N 0 3 253.302 -1.287 20 0 CAADHN CSCC[C@H](N)C(=O)NCCC(=O)NC(N)=O ZINC001328505283 884996403 /nfs/dbraw/zinc/99/64/03/884996403.db2.gz WUXKLCQGPPPZPK-LURJTMIESA-N 0 3 262.335 -1.232 20 0 CAADHN COCCNCC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001328521914 884997007 /nfs/dbraw/zinc/99/70/07/884997007.db2.gz FKLIMEPSWBAFND-DTWKUNHWSA-N 0 3 259.306 -1.629 20 0 CAADHN CN(C)CCONC(=O)c1cn(CC(=O)N(C)C)nn1 ZINC001328342495 884971378 /nfs/dbraw/zinc/97/13/78/884971378.db2.gz LKAWDXVQQPVYRD-UHFFFAOYSA-N 0 3 284.320 -1.411 20 0 CAADHN CSCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001328349309 884972029 /nfs/dbraw/zinc/97/20/29/884972029.db2.gz HQKXKCFYHLJFOO-UHFFFAOYSA-N 0 3 299.356 -1.264 20 0 CAADHN C[C@]12COC[C@@H]1CN(C(=O)C(=O)NC[C@H]1CNCCO1)C2 ZINC001328371119 884974419 /nfs/dbraw/zinc/97/44/19/884974419.db2.gz XOSLLIGYFCWBOL-WDMOLILDSA-N 0 3 297.355 -1.414 20 0 CAADHN C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N(C)CCN(C)C ZINC001328398727 884979422 /nfs/dbraw/zinc/97/94/22/884979422.db2.gz VQAMFKACTYHAPW-JTQLQIEISA-N 0 3 284.360 -1.305 20 0 CAADHN CCON(C)C(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001328381875 884979775 /nfs/dbraw/zinc/97/97/75/884979775.db2.gz ZDESFXSXVOBPMP-UHFFFAOYSA-N 0 3 283.288 -1.333 20 0 CAADHN C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N(C)CCN(C)C ZINC001328398729 884980085 /nfs/dbraw/zinc/98/00/85/884980085.db2.gz VQAMFKACTYHAPW-SNVBAGLBSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CCNC(=O)C(N)=O)NCC(=O)Nc1cnccn1 ZINC001328403284 884982429 /nfs/dbraw/zinc/98/24/29/884982429.db2.gz UTSJLFFKHNEFGP-QMMMGPOBSA-N 0 3 294.315 -1.615 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)C(F)F ZINC001328972792 885040191 /nfs/dbraw/zinc/04/01/91/885040191.db2.gz ZKKTYEBCWOPFPX-RFZPGFLSSA-N 0 3 266.248 -1.071 20 0 CAADHN Cn1cnnc1N1CCN(c2nc(N)nc(N)n2)CC1 ZINC001328801194 885022407 /nfs/dbraw/zinc/02/24/07/885022407.db2.gz YTOZKKYMYFFLMN-UHFFFAOYSA-N 0 3 276.308 -1.509 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCN1C(=O)CCC1=O ZINC001328855583 885029441 /nfs/dbraw/zinc/02/94/41/885029441.db2.gz QCKWWJBGBSRKBK-UHFFFAOYSA-N 0 3 298.343 -1.728 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001328851882 885030637 /nfs/dbraw/zinc/03/06/37/885030637.db2.gz ZCDCVRDDCIBONB-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC001328886839 885032856 /nfs/dbraw/zinc/03/28/56/885032856.db2.gz KIQCYCHTHAXDGO-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN O=C(NCCn1cnnc1)[C@H]1CN2CCN1CCC2 ZINC001328897068 885033710 /nfs/dbraw/zinc/03/37/10/885033710.db2.gz PCMSUJCYHNMJQK-LLVKDONJSA-N 0 3 264.333 -1.216 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC001328886842 885034198 /nfs/dbraw/zinc/03/41/98/885034198.db2.gz KIQCYCHTHAXDGO-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H](C)CS(=O)(=O)CC ZINC001328975912 885039940 /nfs/dbraw/zinc/03/99/40/885039940.db2.gz VSOYARHJJLUKEV-SECBINFHSA-N 0 3 293.389 -1.267 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001328976502 885040724 /nfs/dbraw/zinc/04/07/24/885040724.db2.gz ALAUGAGVYXJKEC-RNFRBKRXSA-N 0 3 255.282 -2.359 20 0 CAADHN C[C@@H](NC(=O)CC(N)=O)[C@H](C)NCCS(C)(=O)=O ZINC001329008677 885046662 /nfs/dbraw/zinc/04/66/62/885046662.db2.gz NTNATLXLNWSDFD-JGVFFNPUSA-N 0 3 279.362 -1.611 20 0 CAADHN O=C([C@H]1CCNC1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001329062920 885055087 /nfs/dbraw/zinc/05/50/87/885055087.db2.gz SYBFWHQZVTZVGW-VWYCJHECSA-N 0 3 267.329 -1.210 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001329110286 885064318 /nfs/dbraw/zinc/06/43/18/885064318.db2.gz NXGHJDABZAPGHT-RNFRBKRXSA-N 0 3 267.289 -1.648 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001329110284 885066216 /nfs/dbraw/zinc/06/62/16/885066216.db2.gz NXGHJDABZAPGHT-BQBZGAKWSA-N 0 3 267.289 -1.648 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001329110287 885066479 /nfs/dbraw/zinc/06/64/79/885066479.db2.gz NXGHJDABZAPGHT-RQJHMYQMSA-N 0 3 267.289 -1.648 20 0 CAADHN C[C@H](NCC(=O)N1CCCC1)[C@H](C)NC(=O)C(N)=O ZINC001329111522 885066515 /nfs/dbraw/zinc/06/65/15/885066515.db2.gz RPQXCEMTGDNRQY-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)[C@H](C)NCC(=O)N1CCCC1 ZINC001329111518 885066882 /nfs/dbraw/zinc/06/68/82/885066882.db2.gz RPQXCEMTGDNRQY-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001329108752 885067010 /nfs/dbraw/zinc/06/70/10/885067010.db2.gz ISOPVSCLCDOHSD-YUMQZZPRSA-N 0 3 270.333 -1.519 20 0 CAADHN CS(=O)(=O)CCNC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001329143894 885068399 /nfs/dbraw/zinc/06/83/99/885068399.db2.gz XTZAYOBMMPKHOP-SFYZADRCSA-N 0 3 250.320 -1.347 20 0 CAADHN Cn1cc(CNC[C@H]2COCCN2)c(=O)n(C)c1=O ZINC001329135576 885070456 /nfs/dbraw/zinc/07/04/56/885070456.db2.gz SPDIEHRYKYWKLN-JTQLQIEISA-N 0 3 268.317 -1.838 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)CCS(C)(=O)=O ZINC001329234708 885079005 /nfs/dbraw/zinc/07/90/05/885079005.db2.gz GDGQBMVVRIXJLB-UHFFFAOYSA-N 0 3 279.362 -1.703 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC001329240324 885081505 /nfs/dbraw/zinc/08/15/05/885081505.db2.gz HLRQUOJZDINTRX-VIFPVBQESA-N 0 3 291.373 -1.561 20 0 CAADHN CSCC[C@@H](N)C(=O)NCCN1C(=O)CNC1=O ZINC001329271882 885085532 /nfs/dbraw/zinc/08/55/32/885085532.db2.gz FKZSSDOFBUYGRE-SSDOTTSWSA-N 0 3 274.346 -1.265 20 0 CAADHN CN(C)CCONC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001329321552 885087433 /nfs/dbraw/zinc/08/74/33/885087433.db2.gz OPXJXNZFXNSBRA-JTQLQIEISA-N 0 3 272.305 -1.541 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CNCCO1 ZINC001329369737 885092769 /nfs/dbraw/zinc/09/27/69/885092769.db2.gz LMKLGJIHUNOFQY-YUMQZZPRSA-N 0 3 265.335 -1.971 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)N(C)CCOCCO ZINC001329430337 885098453 /nfs/dbraw/zinc/09/84/53/885098453.db2.gz DDFRADFJLIHCKK-JTQLQIEISA-N 0 3 285.348 -1.126 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)N(C)CCOCCO ZINC001329430338 885099516 /nfs/dbraw/zinc/09/95/16/885099516.db2.gz DDFRADFJLIHCKK-SNVBAGLBSA-N 0 3 285.348 -1.126 20 0 CAADHN CO[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC001329464033 885102987 /nfs/dbraw/zinc/10/29/87/885102987.db2.gz BMYCWEUQAFAIPX-OUAUKWLOSA-N 0 3 285.344 -1.368 20 0 CAADHN CC(=O)NCCOCCN(C)[C@@H](C)CNC(=O)C(N)=O ZINC001329529512 885114989 /nfs/dbraw/zinc/11/49/89/885114989.db2.gz CBFBNXCRJWEVEW-VIFPVBQESA-N 0 3 288.348 -1.939 20 0 CAADHN CS(=O)(=O)CCNC[C@]12COC(=O)N1CCOC2 ZINC001329646155 885125350 /nfs/dbraw/zinc/12/53/50/885125350.db2.gz HFVXSWYPMPWLOK-JTQLQIEISA-N 0 3 278.330 -1.158 20 0 CAADHN COCc1nc(C(=O)NC[C@@H]2CNCCO2)no1 ZINC001329668608 885130696 /nfs/dbraw/zinc/13/06/96/885130696.db2.gz XTIGUCDMVRVEFD-ZETCQYMHSA-N 0 3 256.262 -1.066 20 0 CAADHN CS(=O)(=O)[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC001329756761 885138419 /nfs/dbraw/zinc/13/84/19/885138419.db2.gz ZEFULUAQHFKILY-RXMQYKEDSA-N 0 3 258.307 -1.341 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CCCNC(=O)C1 ZINC001329791034 885139252 /nfs/dbraw/zinc/13/92/52/885139252.db2.gz VJTYMXKAJLAQQD-UHFFFAOYSA-N 0 3 270.333 -1.645 20 0 CAADHN CCn1ccc(NC(=O)C(=O)NC[C@@H]2CNCCO2)n1 ZINC001329805692 885142204 /nfs/dbraw/zinc/14/22/04/885142204.db2.gz FBPFLCHIFIKWIY-VIFPVBQESA-N 0 3 281.316 -1.054 20 0 CAADHN C[C@@H](O)CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001329822624 885143616 /nfs/dbraw/zinc/14/36/16/885143616.db2.gz DOYWBNFNAHFCRH-ZCFIWIBFSA-N 0 3 255.278 -1.179 20 0 CAADHN C[C@H](CNC(=O)C(=O)N(C)CCN)S(C)(=O)=O ZINC001329862589 885150473 /nfs/dbraw/zinc/15/04/73/885150473.db2.gz LKHIYYHWLIVLRO-SSDOTTSWSA-N 0 3 265.335 -2.047 20 0 CAADHN CNC(=O)CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001329884385 885152057 /nfs/dbraw/zinc/15/20/57/885152057.db2.gz NPQPXVYIOMFEQR-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001329936385 885156364 /nfs/dbraw/zinc/15/63/64/885156364.db2.gz CIDTZSCCLZZGBH-VWYCJHECSA-N 0 3 267.329 -1.068 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1cnn(CCF)c1 ZINC001329990390 885162409 /nfs/dbraw/zinc/16/24/09/885162409.db2.gz RXKVIRNQXIXKIP-JTQLQIEISA-N 0 3 299.306 -1.104 20 0 CAADHN Cc1c(C(=O)N2CCOC3(CNC3)C2)nnn1C ZINC001329993496 885163489 /nfs/dbraw/zinc/16/34/89/885163489.db2.gz AANKCKYNBVPBIE-UHFFFAOYSA-N 0 3 251.290 -1.062 20 0 CAADHN C[C@H](NC(=O)C(N)=O)C1CN(C[C@@H]2CCc3ncnn32)C1 ZINC001330048713 885168907 /nfs/dbraw/zinc/16/89/07/885168907.db2.gz QEFMVIGOEUQLKY-WPRPVWTQSA-N 0 3 292.343 -1.313 20 0 CAADHN C[C@H](NC(=O)C(N)=O)C1CN(C[C@H]2CCc3ncnn32)C1 ZINC001330048712 885170734 /nfs/dbraw/zinc/17/07/34/885170734.db2.gz QEFMVIGOEUQLKY-WCBMZHEXSA-N 0 3 292.343 -1.313 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N2CCOC3(CNC3)C2)C1=O ZINC001330096265 885176340 /nfs/dbraw/zinc/17/63/40/885176340.db2.gz HCBPAXKYUYUPJI-UHFFFAOYSA-N 0 3 296.283 -2.392 20 0 CAADHN Cn1cnnc1S(=O)(=O)NC[C@H]1CNCCO1 ZINC001330363489 885188165 /nfs/dbraw/zinc/18/81/65/885188165.db2.gz GYBNYVSDUAKCNP-SSDOTTSWSA-N 0 3 261.307 -1.918 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N(C)Cc1cn(C)nn1 ZINC001330350854 885189842 /nfs/dbraw/zinc/18/98/42/885189842.db2.gz WOPVDKZBQQEGEB-UHFFFAOYSA-N 0 3 282.348 -1.207 20 0 CAADHN Cn1cnnc1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC001330363490 885189976 /nfs/dbraw/zinc/18/99/76/885189976.db2.gz GYBNYVSDUAKCNP-ZETCQYMHSA-N 0 3 261.307 -1.918 20 0 CAADHN CO[C@H](C)CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC001330530745 885201904 /nfs/dbraw/zinc/20/19/04/885201904.db2.gz YNTYSYQDFNCUDX-RKDXNWHRSA-N 0 3 259.306 -1.758 20 0 CAADHN CO[C@H](C)CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001330530744 885202807 /nfs/dbraw/zinc/20/28/07/885202807.db2.gz YNTYSYQDFNCUDX-BDAKNGLRSA-N 0 3 259.306 -1.758 20 0 CAADHN O=C1NC[C@@H]2CN(C[C@H]3CNCCO3)CCN2C1=O ZINC001330583641 885208215 /nfs/dbraw/zinc/20/82/15/885208215.db2.gz BULMGPIUZDPTRC-NXEZZACHSA-N 0 3 268.317 -2.383 20 0 CAADHN C[C@@]1(C(=O)N2CCOC3(CNC3)C2)CCC(=O)N1 ZINC001330603334 885210183 /nfs/dbraw/zinc/21/01/83/885210183.db2.gz TYTVWMBFSSDZEB-NSHDSACASA-N 0 3 253.302 -1.144 20 0 CAADHN NC(=O)C(=O)N[C@H]1C[C@H](CNCC(=O)Nc2ccon2)C1 ZINC001330650423 885218769 /nfs/dbraw/zinc/21/87/69/885218769.db2.gz KXELYWQGJGIUDO-ZKCHVHJHSA-N 0 3 295.299 -1.417 20 0 CAADHN COCCOC[C@H](O)CN1CC[C@@](O)(C(=O)OC)C1 ZINC001330732753 885223012 /nfs/dbraw/zinc/22/30/12/885223012.db2.gz NXJPQPSADVLELD-PWSUYJOCSA-N 0 3 277.317 -1.380 20 0 CAADHN O=C1CNC(=O)N1CCCN1CCC(CO)(CO)CC1 ZINC001330722737 885225026 /nfs/dbraw/zinc/22/50/26/885225026.db2.gz GDSVVKIMMNQDRB-UHFFFAOYSA-N 0 3 285.344 -1.005 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NCCN1CC[C@@H](O)C1 ZINC001330736170 885227623 /nfs/dbraw/zinc/22/76/23/885227623.db2.gz HPTGPEKIFYWGCQ-VHSXEESVSA-N 0 3 255.318 -1.305 20 0 CAADHN CO[C@@H](CN)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC001330867896 885238449 /nfs/dbraw/zinc/23/84/49/885238449.db2.gz UYAYJEPIBYJSTL-BDAKNGLRSA-N 0 3 253.306 -1.009 20 0 CAADHN CCN1C(=O)[C@H]2CN(C(=O)[C@@H](N)CCOC)CCN2C1=O ZINC001330867651 885239603 /nfs/dbraw/zinc/23/96/03/885239603.db2.gz SAMGTHNOCQLXNR-VHSXEESVSA-N 0 3 298.343 -1.155 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O ZINC001331369186 885277643 /nfs/dbraw/zinc/27/76/43/885277643.db2.gz CNNSKCQGMPXISX-HTQZYQBOSA-N 0 3 258.322 -1.567 20 0 CAADHN CC(=O)N1CC[C@@H](NC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC001331066045 885249881 /nfs/dbraw/zinc/24/98/81/885249881.db2.gz ZUJFETVDRJAWJV-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC001331192493 885261222 /nfs/dbraw/zinc/26/12/22/885261222.db2.gz OSGYHCNWEXAZJD-AXFHLTTASA-N 0 3 283.328 -1.519 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC001331192494 885262249 /nfs/dbraw/zinc/26/22/49/885262249.db2.gz OSGYHCNWEXAZJD-OUAUKWLOSA-N 0 3 283.328 -1.519 20 0 CAADHN C[C@@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccnn1C ZINC001331193435 885263807 /nfs/dbraw/zinc/26/38/07/885263807.db2.gz VHFWILRVFNILFP-NXEZZACHSA-N 0 3 295.343 -1.298 20 0 CAADHN CC(=O)C1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC001331193673 885264303 /nfs/dbraw/zinc/26/43/03/885264303.db2.gz XMWZGNVAPCIWGU-LBPRGKRZSA-N 0 3 297.355 -1.081 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)Nc1cn(C)nn1 ZINC001331268194 885271702 /nfs/dbraw/zinc/27/17/02/885271702.db2.gz ODBSQIIDLHIKLU-UHFFFAOYSA-N 0 3 298.347 -1.162 20 0 CAADHN COCCO[C@H]1C[C@@H](CO)CN(c2nc(N)nc(N)n2)C1 ZINC001331314772 885272473 /nfs/dbraw/zinc/27/24/73/885272473.db2.gz JWGGUBYXAYYQNZ-BDAKNGLRSA-N 0 3 298.347 -1.114 20 0 CAADHN CN(C(=O)C(N)=O)[C@H](CNCC(=O)NCC1CC1)C1CC1 ZINC001331318210 885272785 /nfs/dbraw/zinc/27/27/85/885272785.db2.gz JSZZZXPCCKPPBP-LLVKDONJSA-N 0 3 296.371 -1.176 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O ZINC001331369191 885276061 /nfs/dbraw/zinc/27/60/61/885276061.db2.gz CNNSKCQGMPXISX-SFYZADRCSA-N 0 3 258.322 -1.567 20 0 CAADHN C[C@@H](CN(C)C(=O)CC(N)=O)NCCS(C)(=O)=O ZINC001331408899 885277098 /nfs/dbraw/zinc/27/70/98/885277098.db2.gz HGJUUWQFISKZNP-QMMMGPOBSA-N 0 3 279.362 -1.657 20 0 CAADHN Cn1ncnc1C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001331462893 885280758 /nfs/dbraw/zinc/28/07/58/885280758.db2.gz ZSTYIMRSSJWFMT-UHFFFAOYSA-N 0 3 263.261 -1.301 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001331519102 885282160 /nfs/dbraw/zinc/28/21/60/885282160.db2.gz MPVONWRQDCAVAM-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001331519103 885282433 /nfs/dbraw/zinc/28/24/33/885282433.db2.gz MPVONWRQDCAVAM-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN O=C([C@H]1CC(=O)N1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001331571768 885289068 /nfs/dbraw/zinc/28/90/68/885289068.db2.gz GFUGETDLRSVMQE-OPRDCNLKSA-N 0 3 253.302 -1.458 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)c1cnon1)C(N)=O ZINC001331592834 885290144 /nfs/dbraw/zinc/29/01/44/885290144.db2.gz FKJFZJRGLIQSEQ-NKWVEPMBSA-N 0 3 255.278 -1.007 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nc[n-]n1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001331599472 885291111 /nfs/dbraw/zinc/29/11/11/885291111.db2.gz XPWZLKUUBRXZJD-JGVFFNPUSA-N 0 3 294.315 -1.340 20 0 CAADHN CNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1nc[n-]n1 ZINC001331593398 885292327 /nfs/dbraw/zinc/29/23/27/885292327.db2.gz IUGHTGTZWFBPBI-YUMQZZPRSA-N 0 3 268.321 -1.011 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnon1)N[C@H](C)C(N)=O ZINC001331592835 885293186 /nfs/dbraw/zinc/29/31/86/885293186.db2.gz FKJFZJRGLIQSEQ-RNFRBKRXSA-N 0 3 255.278 -1.007 20 0 CAADHN O=C(NCCc1ccns1)C(=O)NC[C@@H]1CNCCO1 ZINC001331635534 885299514 /nfs/dbraw/zinc/29/95/14/885299514.db2.gz BJZLKIWBBRMCEU-VIFPVBQESA-N 0 3 298.368 -1.094 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@@H](CF)C1 ZINC001331636593 885300748 /nfs/dbraw/zinc/30/07/48/885300748.db2.gz FNYGKYMNYMLWPC-UWVGGRQHSA-N 0 3 273.308 -1.091 20 0 CAADHN O=C(NC[C@H](CO)NCCN1C(=O)CNC1=O)C1CC1 ZINC001331667124 885304790 /nfs/dbraw/zinc/30/47/90/885304790.db2.gz UEURSJGVYMLJOR-SECBINFHSA-N 0 3 284.316 -1.985 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1nccnc1N ZINC001331680629 885307528 /nfs/dbraw/zinc/30/75/28/885307528.db2.gz BPDLULLITCPRTH-MRVPVSSYSA-N 0 3 269.305 -1.615 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@@H](C)n1cncn1 ZINC001331698894 885315462 /nfs/dbraw/zinc/31/54/62/885315462.db2.gz YEBSZWVVNJPINM-ZJUUUORDSA-N 0 3 271.321 -1.448 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](CO)NCCc1ccns1 ZINC001331687126 885316148 /nfs/dbraw/zinc/31/61/48/885316148.db2.gz ZCUMOCDEWYPAGW-QMMMGPOBSA-N 0 3 286.357 -1.372 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001331725150 885323091 /nfs/dbraw/zinc/32/30/91/885323091.db2.gz LYGVUOLJCRIZMX-SNVBAGLBSA-N 0 3 298.343 -1.503 20 0 CAADHN CN(C(=O)C(=O)NC[C@@H]1CNCCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001331744665 885333534 /nfs/dbraw/zinc/33/35/34/885333534.db2.gz KPMASNUXEYDQNC-AEJSXWLSSA-N 0 3 298.343 -2.187 20 0 CAADHN NC(=O)C(=O)NC[C@@H](CO)NCCOCC(F)F ZINC001331773484 885339163 /nfs/dbraw/zinc/33/91/63/885339163.db2.gz GIZMUBJZLOADKD-LURJTMIESA-N 0 3 269.248 -2.180 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001331773076 885341788 /nfs/dbraw/zinc/34/17/88/885341788.db2.gz TTXBMMIINPQVAU-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN NC(=O)C(=O)NC[C@@H](CO)NCCOCC1CC1 ZINC001331776412 885345301 /nfs/dbraw/zinc/34/53/01/885345301.db2.gz YEWDOPGCUAMTIT-VIFPVBQESA-N 0 3 259.306 -2.035 20 0 CAADHN CC(C)=CCN[C@H](CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001331792209 885347855 /nfs/dbraw/zinc/34/78/55/885347855.db2.gz ZEGDZSPBKWKJAG-UWVGGRQHSA-N 0 3 298.343 -1.383 20 0 CAADHN COCCN[C@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001331789477 885348195 /nfs/dbraw/zinc/34/81/95/885348195.db2.gz JHZUEIYVFLVHPG-JTQLQIEISA-N 0 3 256.306 -1.335 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)Cc1c[nH]cn1 ZINC001331789478 885348678 /nfs/dbraw/zinc/34/86/78/885348678.db2.gz JHZUEIYVFLVHPG-SNVBAGLBSA-N 0 3 256.306 -1.335 20 0 CAADHN O=C(NC[C@H](CO)NCCOC1CCC1)[C@@H]1CCC(=O)N1 ZINC001331825756 885353896 /nfs/dbraw/zinc/35/38/96/885353896.db2.gz QVHUVWIFALXSBW-PWSUYJOCSA-N 0 3 299.371 -1.099 20 0 CAADHN COC(=O)CCNC(=O)CCNCCS(C)(=O)=O ZINC001331848197 885355479 /nfs/dbraw/zinc/35/54/79/885355479.db2.gz XVPUWCVTCCHHHD-UHFFFAOYSA-N 0 3 280.346 -1.310 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001331833743 885356054 /nfs/dbraw/zinc/35/60/54/885356054.db2.gz CZOLZMBDUIGLAH-UWVGGRQHSA-N 0 3 294.373 -1.723 20 0 CAADHN COC(=O)[C@]1(O)CCN(CCCN2C(=O)CNC2=O)C1 ZINC001331847453 885356568 /nfs/dbraw/zinc/35/65/68/885356568.db2.gz NAMIZVSCXVXHPU-LBPRGKRZSA-N 0 3 285.300 -1.462 20 0 CAADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)N2CCCNCC2)CCO1 ZINC001331853116 885361160 /nfs/dbraw/zinc/36/11/60/885361160.db2.gz PKMXBMKNNLLSPF-SNVBAGLBSA-N 0 3 298.343 -2.089 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)N(C)C2CC2)CCN1C(=O)C(N)=O ZINC001331916187 885363141 /nfs/dbraw/zinc/36/31/41/885363141.db2.gz DSCWIPSIBKQIJS-PSASIEDQSA-N 0 3 282.344 -1.329 20 0 CAADHN NC(=O)NC(=O)CCNC[C@@H]1CCCS1(=O)=O ZINC001331958798 885368712 /nfs/dbraw/zinc/36/87/12/885368712.db2.gz LKOZLECMIZWPIQ-ZETCQYMHSA-N 0 3 263.319 -1.262 20 0 CAADHN CN(CC(=O)NC[C@H]1CNCCO1)S(C)(=O)=O ZINC001331948061 885370196 /nfs/dbraw/zinc/37/01/96/885370196.db2.gz CXCQXHYITUAUMH-MRVPVSSYSA-N 0 3 265.335 -2.018 20 0 CAADHN COC[C@H](O)CN1CC[C@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC001332110311 885379189 /nfs/dbraw/zinc/37/91/89/885379189.db2.gz INRRPXDTFLEFPE-GBIKHYSHSA-N 0 3 285.344 -1.408 20 0 CAADHN Cn1nccc1[C@@H](O)CNS(=O)(=O)C1CNC1 ZINC001332367419 885402413 /nfs/dbraw/zinc/40/24/13/885402413.db2.gz HEHFTIZTQRHJON-VIFPVBQESA-N 0 3 260.319 -1.655 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N1CCNCCC12CCC2 ZINC001332286524 885397785 /nfs/dbraw/zinc/39/77/85/885397785.db2.gz BUWCSDWVBHKXHY-UHFFFAOYSA-N 0 3 296.371 -1.065 20 0 CAADHN O=S1(=O)C[C@@H]2NCCN(Cc3nnc[nH]3)[C@@H]2C1 ZINC001332335328 885399688 /nfs/dbraw/zinc/39/96/88/885399688.db2.gz UPTREGNZGLYRFD-JGVFFNPUSA-N 0 3 257.319 -1.625 20 0 CAADHN O=S(=O)(C[C@@H]1CCOC1)N1CCNCCNCC1 ZINC001332333468 885401047 /nfs/dbraw/zinc/40/10/47/885401047.db2.gz BPORVDVSCXUKPM-LLVKDONJSA-N 0 3 277.390 -1.153 20 0 CAADHN CN(CCO)CCNC(=O)/C=C\Cn1cncn1 ZINC001332364201 885402300 /nfs/dbraw/zinc/40/23/00/885402300.db2.gz JICGUSUQHUVLAS-IHWYPQMZSA-N 0 3 253.306 -1.125 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CC1(C)C ZINC001332404993 885407277 /nfs/dbraw/zinc/40/72/77/885407277.db2.gz NVQRJSFZLYEILL-VHSXEESVSA-N 0 3 296.371 -1.305 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCC(F)(F)C1 ZINC001332411827 885407827 /nfs/dbraw/zinc/40/78/27/885407827.db2.gz JFFIOCICPCNWEK-UHFFFAOYSA-N 0 3 290.314 -1.125 20 0 CAADHN CN(Cc1cc[nH]n1)C(=O)C(=O)N1CCNCCNCC1 ZINC001332413339 885408313 /nfs/dbraw/zinc/40/83/13/885408313.db2.gz UHIZWPQVZBZZCQ-UHFFFAOYSA-N 0 3 294.359 -1.611 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)NCCCN1C(=O)CNC1=O ZINC001332424987 885408477 /nfs/dbraw/zinc/40/84/77/885408477.db2.gz SNBOECRRCOQUDH-JTQLQIEISA-N 0 3 298.343 -1.187 20 0 CAADHN CO[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001332410870 885408606 /nfs/dbraw/zinc/40/86/06/885408606.db2.gz AUJRNWXVDLDQJX-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CC1(C)C ZINC001332404994 885408673 /nfs/dbraw/zinc/40/86/73/885408673.db2.gz NVQRJSFZLYEILL-ZJUUUORDSA-N 0 3 296.371 -1.305 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N1CCNCCNCC1 ZINC001332462413 885411461 /nfs/dbraw/zinc/41/14/61/885411461.db2.gz MOCPXONWOVRCFN-UHFFFAOYSA-N 0 3 285.348 -2.788 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)CC(N)=O ZINC001332487132 885413079 /nfs/dbraw/zinc/41/30/79/885413079.db2.gz FGVCCZMGTDQFKG-YUMQZZPRSA-N 0 3 272.305 -2.841 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)CC(N)=O ZINC001332487130 885413094 /nfs/dbraw/zinc/41/30/94/885413094.db2.gz FGVCCZMGTDQFKG-SFYZADRCSA-N 0 3 272.305 -2.841 20 0 CAADHN Cc1ncc(CNC[C@@H](O)CN(C)C(=O)CC(N)=O)cn1 ZINC001332487984 885413786 /nfs/dbraw/zinc/41/37/86/885413786.db2.gz ITZGFLVCHOREPI-LLVKDONJSA-N 0 3 295.343 -1.431 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)CC(N)=O ZINC001332487120 885413836 /nfs/dbraw/zinc/41/38/36/885413836.db2.gz FGVCCZMGTDQFKG-HTQZYQBOSA-N 0 3 272.305 -2.841 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccc(F)nc1 ZINC001332489877 885416554 /nfs/dbraw/zinc/41/65/54/885416554.db2.gz SRIMFTCPNMGVRV-JTQLQIEISA-N 0 3 298.318 -1.011 20 0 CAADHN COC[C@H]1C[C@@H](O)CN1CCCS(N)(=O)=O ZINC001332538427 885418222 /nfs/dbraw/zinc/41/82/22/885418222.db2.gz IIMGBPWPZVDKAA-RKDXNWHRSA-N 0 3 252.336 -1.253 20 0 CAADHN COCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001332536834 885418647 /nfs/dbraw/zinc/41/86/47/885418647.db2.gz NCWXSTQTWLXKFV-MRVPVSSYSA-N 0 3 257.294 -1.526 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001332604733 885426759 /nfs/dbraw/zinc/42/67/59/885426759.db2.gz CHSRGFFSUPSIIN-BDAKNGLRSA-N 0 3 297.352 -1.944 20 0 CAADHN CN(CCOCC1CC1)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332662761 885429228 /nfs/dbraw/zinc/42/92/28/885429228.db2.gz IHTPZTZGVZJUCN-NSHDSACASA-N 0 3 287.360 -1.351 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001332664946 885428973 /nfs/dbraw/zinc/42/89/73/885428973.db2.gz ONBJOJGSQNLCTN-SNVBAGLBSA-N 0 3 268.317 -1.166 20 0 CAADHN CN(CCOCC1CC1)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332662760 885430621 /nfs/dbraw/zinc/43/06/21/885430621.db2.gz IHTPZTZGVZJUCN-LLVKDONJSA-N 0 3 287.360 -1.351 20 0 CAADHN CN(CCn1cncn1)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332664550 885430830 /nfs/dbraw/zinc/43/08/30/885430830.db2.gz VFBDSUZXTVDNBL-SECBINFHSA-N 0 3 284.320 -2.486 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H](N2CCC2)C1 ZINC001332694443 885432891 /nfs/dbraw/zinc/43/28/91/885432891.db2.gz KFRUZGUEEHFFHJ-BDAKNGLRSA-N 0 3 266.301 -1.109 20 0 CAADHN CN(CCNC(=O)C(=O)N1CC=C[C@@H]1CO)C1CC1 ZINC001332814603 885438720 /nfs/dbraw/zinc/43/87/20/885438720.db2.gz VFICBCTZYOJWPU-LLVKDONJSA-N 0 3 267.329 -1.044 20 0 CAADHN CN1CCN(CCCC(=O)NC(N)=O)[C@H](CO)C1 ZINC001333036792 885452616 /nfs/dbraw/zinc/45/26/16/885452616.db2.gz BZAFEDRTQOJFFE-VIFPVBQESA-N 0 3 258.322 -1.430 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CC[C@H]2CNC(=O)C2)C1=O ZINC001332845049 885443127 /nfs/dbraw/zinc/44/31/27/885443127.db2.gz TWVOQVMBWLEUFK-BDAKNGLRSA-N 0 3 268.317 -1.005 20 0 CAADHN CN1CC[C@@H](NC[C@H](NC(=O)C(N)=O)C(C)(C)C)C1=O ZINC001332858247 885443741 /nfs/dbraw/zinc/44/37/41/885443741.db2.gz QDNZQCXXXINAOA-BDAKNGLRSA-N 0 3 284.360 -1.177 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CCN2CCNC2=O)C1=O ZINC001332844797 885443871 /nfs/dbraw/zinc/44/38/71/885443871.db2.gz QBFNCQGBDDFFOD-MRVPVSSYSA-N 0 3 269.305 -1.506 20 0 CAADHN CN1CC[C@@H](NC[C@@H](NC(=O)C(N)=O)C(C)(C)C)C1=O ZINC001332858250 885444309 /nfs/dbraw/zinc/44/43/09/885444309.db2.gz QDNZQCXXXINAOA-RKDXNWHRSA-N 0 3 284.360 -1.177 20 0 CAADHN CC1(C)CNC(=O)[C@@H]1NC[C@@H](O)Cn1ccnn1 ZINC001332899618 885447075 /nfs/dbraw/zinc/44/70/75/885447075.db2.gz UPJWSMBYKAHYNG-BDAKNGLRSA-N 0 3 253.306 -1.247 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCC[C@@H]1CCO ZINC001332895402 885447746 /nfs/dbraw/zinc/44/77/46/885447746.db2.gz VWWDDAXSYYEFEF-GFCCVEGCSA-N 0 3 298.387 -1.619 20 0 CAADHN CN(C)CCn1nccc1C(=O)NN1CC(=O)N(C)C1=O ZINC001333111736 885456059 /nfs/dbraw/zinc/45/60/59/885456059.db2.gz RDVZLKZFIQKRQN-UHFFFAOYSA-N 0 3 294.315 -1.017 20 0 CAADHN CO[C@@H]1CN(C[C@H](O)C[C@@]2(O)CCOC2)C[C@H]1O ZINC001333101909 885456952 /nfs/dbraw/zinc/45/69/52/885456952.db2.gz XPCYKCROYWDUPH-KKOKHZNYSA-N 0 3 261.318 -1.420 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C(=O)C[C@@H]1CNCCO1 ZINC001333665151 885500496 /nfs/dbraw/zinc/50/04/96/885500496.db2.gz QLXLBCCQXBYCOQ-BDAKNGLRSA-N 0 3 259.306 -1.676 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)CO)[C@@H](C)CN1C[C@@H](O)CO ZINC001333871770 885510696 /nfs/dbraw/zinc/51/06/96/885510696.db2.gz YKCBXMQVLLQWTJ-WRWGMCAJSA-N 0 3 262.350 -1.913 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001333183981 885463228 /nfs/dbraw/zinc/46/32/28/885463228.db2.gz OQKVNQDSLXXJGH-DTWKUNHWSA-N 0 3 254.286 -1.004 20 0 CAADHN CN(CCOCCNCC(=O)NC(N)=O)C(=O)C(F)F ZINC001333193165 885463675 /nfs/dbraw/zinc/46/36/75/885463675.db2.gz QEUMQIIMKYGMJD-UHFFFAOYSA-N 0 3 296.274 -1.489 20 0 CAADHN CN(CCOCCN[C@@H]1CCNC1=O)C(=O)c1cc[nH]n1 ZINC001333206707 885463861 /nfs/dbraw/zinc/46/38/61/885463861.db2.gz MLPNSOWLPBYAAQ-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN NS(=O)(=O)CCN1CC[C@@H](C2OCCO2)C1 ZINC001333238583 885464033 /nfs/dbraw/zinc/46/40/33/885464033.db2.gz OSFVPBBSWLJHAF-MRVPVSSYSA-N 0 3 250.320 -1.030 20 0 CAADHN CN(CCOCCN[C@H]1CCNC1=O)C(=O)CC(N)=O ZINC001333202014 885464398 /nfs/dbraw/zinc/46/43/98/885464398.db2.gz GMNOXGGLROLHKB-VIFPVBQESA-N 0 3 286.332 -2.185 20 0 CAADHN CN(CCOCCNCC(=O)N1CCC1)C(=O)C(N)=O ZINC001333243806 885465069 /nfs/dbraw/zinc/46/50/69/885465069.db2.gz ABHUJYRUYSIBSS-UHFFFAOYSA-N 0 3 286.332 -2.231 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001333248580 885466708 /nfs/dbraw/zinc/46/67/08/885466708.db2.gz ZRGQJIKJHMFMEJ-QMMMGPOBSA-N 0 3 287.320 -2.782 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1cnn(C)n1 ZINC001333257026 885466959 /nfs/dbraw/zinc/46/69/59/885466959.db2.gz BSHRCMZAJCWVFE-UHFFFAOYSA-N 0 3 284.320 -2.021 20 0 CAADHN COC[C@H](O)CN1CC=C(CNC(=O)CC(N)=O)CC1 ZINC001333316692 885470962 /nfs/dbraw/zinc/47/09/62/885470962.db2.gz RMPKYWQUDDUBNQ-LLVKDONJSA-N 0 3 285.344 -1.383 20 0 CAADHN CNS(=O)(=O)CCN1CCN(C)CCN(C)CC1 ZINC001333450357 885481668 /nfs/dbraw/zinc/48/16/68/885481668.db2.gz IGAIZXOLHQZOHO-UHFFFAOYSA-N 0 3 278.422 -1.285 20 0 CAADHN CN(CC(F)F)C(=O)C(=O)N1CCNCCNCC1 ZINC001333596725 885492283 /nfs/dbraw/zinc/49/22/83/885492283.db2.gz PYELNUQRYPSTPL-UHFFFAOYSA-N 0 3 278.303 -1.269 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CC[C@H]2C[C@H]2C1 ZINC001333612248 885495772 /nfs/dbraw/zinc/49/57/72/885495772.db2.gz SVEHIPBNKFLFOX-RYUDHWBXSA-N 0 3 280.372 -1.124 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CC[C@@H]2C[C@@H]2C1 ZINC001333612249 885497343 /nfs/dbraw/zinc/49/73/43/885497343.db2.gz SVEHIPBNKFLFOX-VXGBXAGGSA-N 0 3 280.372 -1.124 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C(=O)C[C@H]1CNCCO1 ZINC001333665153 885499939 /nfs/dbraw/zinc/49/99/39/885499939.db2.gz QLXLBCCQXBYCOQ-IUCAKERBSA-N 0 3 259.306 -1.676 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N1CCOC2(CNC2)C1 ZINC001333670886 885500795 /nfs/dbraw/zinc/50/07/95/885500795.db2.gz AFXNXXMKIXTWHE-UHFFFAOYSA-N 0 3 268.273 -2.261 20 0 CAADHN O=C(CO[C@@H]1CCOC1)N1CCOC2(CNC2)C1 ZINC001333671531 885500815 /nfs/dbraw/zinc/50/08/15/885500815.db2.gz JAJMJFYJIYOWHT-SNVBAGLBSA-N 0 3 256.302 -1.007 20 0 CAADHN O[C@@H](CN1C[C@H](O)C[C@H](O)C1)C[C@]1(O)CCOC1 ZINC001333834514 885507348 /nfs/dbraw/zinc/50/73/48/885507348.db2.gz OTRFDNYWQBLXRQ-WRWGMCAJSA-N 0 3 261.318 -1.684 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001334047874 885520696 /nfs/dbraw/zinc/52/06/96/885520696.db2.gz XQNWRPVNAKPUDC-NXEZZACHSA-N 0 3 255.318 -1.081 20 0 CAADHN CN(CCO)CCN(C)C(=O)C1(NC(N)=O)CC1 ZINC001334246379 885531771 /nfs/dbraw/zinc/53/17/71/885531771.db2.gz LUXMMYRSFYMXBC-UHFFFAOYSA-N 0 3 258.322 -1.430 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](C)N(C)C(=O)C(N)=O ZINC001334330738 885536817 /nfs/dbraw/zinc/53/68/17/885536817.db2.gz DXKRAXSFIFXVAR-VIFPVBQESA-N 0 3 272.349 -1.225 20 0 CAADHN CN(Cc1ccon1)C(=O)C(=O)N1CCNCCNCC1 ZINC001334387267 885538342 /nfs/dbraw/zinc/53/83/42/885538342.db2.gz QSRAEQHMEBUDGW-UHFFFAOYSA-N 0 3 295.343 -1.346 20 0 CAADHN C[C@@H]1[C@H](C)N(C[C@@H](O)CO)CCN1C[C@@H](O)CO ZINC001334360232 885540054 /nfs/dbraw/zinc/54/00/54/885540054.db2.gz GCWWZKPUSSJERO-WRWGMCAJSA-N 0 3 262.350 -1.913 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CC[C@H]1O ZINC001334404792 885542102 /nfs/dbraw/zinc/54/21/02/885542102.db2.gz AMLYKSKTONEFKX-NWDGAFQWSA-N 0 3 298.387 -1.763 20 0 CAADHN CN1CCN(CCCC(=O)NC(N)=O)C[C@@H]1CO ZINC001334414577 885542859 /nfs/dbraw/zinc/54/28/59/885542859.db2.gz LDUFUJAFIYPCQV-SECBINFHSA-N 0 3 258.322 -1.430 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CC[C@H]1O ZINC001334404796 885544068 /nfs/dbraw/zinc/54/40/68/885544068.db2.gz AMLYKSKTONEFKX-VXGBXAGGSA-N 0 3 298.387 -1.763 20 0 CAADHN O=C([C@H]1CCNC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001334459416 885545884 /nfs/dbraw/zinc/54/58/84/885545884.db2.gz SYDKFNZTNGJQKT-AEJSXWLSSA-N 0 3 253.302 -1.600 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)N1CCN2CC[C@H]1C2 ZINC001334435832 885547792 /nfs/dbraw/zinc/54/77/92/885547792.db2.gz WAMNXMTZMIZVQU-VIFPVBQESA-N 0 3 266.301 -1.155 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001334487457 885551409 /nfs/dbraw/zinc/55/14/09/885551409.db2.gz GALAVSLTZWZCLG-VIFPVBQESA-N 0 3 255.318 -1.081 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CO)[C@@H](C)CN1C[C@H](O)CO ZINC001334627619 885553612 /nfs/dbraw/zinc/55/36/12/885553612.db2.gz YKCBXMQVLLQWTJ-USZNOCQGSA-N 0 3 262.350 -1.913 20 0 CAADHN COCC(=O)NC1CCN(C[C@H](O)[C@@H](C)O)CC1 ZINC001334548537 885555091 /nfs/dbraw/zinc/55/50/91/885555091.db2.gz JNUMNWDRBPWRGE-KOLCDFICSA-N 0 3 260.334 -1.045 20 0 CAADHN C[C@H]1CCOCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC001334687119 885556966 /nfs/dbraw/zinc/55/69/66/885556966.db2.gz VBZKJLLKCSOUHP-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CCN(C)CCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC001334657128 885558456 /nfs/dbraw/zinc/55/84/56/885558456.db2.gz GRSCDSXNJKGLFX-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN Cn1nnc(C(=O)NC2(CCO)CCN(C)CC2)n1 ZINC001334768756 885564319 /nfs/dbraw/zinc/56/43/19/885564319.db2.gz RCTZIDMTRMJNEM-UHFFFAOYSA-N 0 3 268.321 -1.213 20 0 CAADHN Nc1nc(N)nc(N2CC[C@@H]3COC(=O)N[C@H]3C2)n1 ZINC001334932291 885571910 /nfs/dbraw/zinc/57/19/10/885571910.db2.gz BMCDQWRERSAFTN-RITPCOANSA-N 0 3 265.277 -1.029 20 0 CAADHN C[C@@H]1CCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001335076137 885579492 /nfs/dbraw/zinc/57/94/92/885579492.db2.gz CKERNTWKYDJHKW-LLVKDONJSA-N 0 3 296.371 -1.160 20 0 CAADHN Cc1cc(CNC(=O)C(=O)N2CCNCCNCC2)on1 ZINC001335183590 885588127 /nfs/dbraw/zinc/58/81/27/885588127.db2.gz HVTNLFKPYMCDRG-UHFFFAOYSA-N 0 3 295.343 -1.379 20 0 CAADHN O=C(NC1CC(F)(F)C1)C(=O)N1CCNCCNCC1 ZINC001335185497 885589086 /nfs/dbraw/zinc/58/90/86/885589086.db2.gz SETRJKPBUJWBCE-UHFFFAOYSA-N 0 3 290.314 -1.078 20 0 CAADHN O=S(=O)(Cc1ccon1)N1CCNCCNCC1 ZINC001335181560 885590238 /nfs/dbraw/zinc/59/02/38/885590238.db2.gz QJCHLAUXUIQSTO-UHFFFAOYSA-N 0 3 274.346 -1.001 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCS(C)(=O)=O ZINC001335218116 885592022 /nfs/dbraw/zinc/59/20/22/885592022.db2.gz XVQCWQLABOLHAL-UHFFFAOYSA-N 0 3 265.335 -2.046 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N([C@H]2CC(=O)N(C)C2)C1=O ZINC001335207264 885592196 /nfs/dbraw/zinc/59/21/96/885592196.db2.gz PJIAZMYGUWITAK-YUMQZZPRSA-N 0 3 254.290 -1.301 20 0 CAADHN C[C@@H]1COCCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC001335217581 885592284 /nfs/dbraw/zinc/59/22/84/885592284.db2.gz OZKUZQJSKDWNLJ-QWRGUYRKSA-N 0 3 285.344 -1.414 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(Cc2nnn(C)n2)C1=O ZINC001335213204 885592947 /nfs/dbraw/zinc/59/29/47/885592947.db2.gz UPTDOPZCOKZFKE-ZCFIWIBFSA-N 0 3 253.266 -1.808 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(Cc2ncn(C)n2)C1=O ZINC001335210157 885594167 /nfs/dbraw/zinc/59/41/67/885594167.db2.gz HHPLSPXPMGRWIJ-SSDOTTSWSA-N 0 3 252.278 -1.203 20 0 CAADHN CN(C)C[C@H]1NC(=O)N([C@@H]2CC(=O)N(C)C2)C1=O ZINC001335207261 885594433 /nfs/dbraw/zinc/59/44/33/885594433.db2.gz PJIAZMYGUWITAK-HTQZYQBOSA-N 0 3 254.290 -1.301 20 0 CAADHN COCCN1CC[C@@H](N2C(=O)N[C@@H](CO)C2=O)C1 ZINC001335228354 885595560 /nfs/dbraw/zinc/59/55/60/885595560.db2.gz MAJGDJMUJLBRRD-BDAKNGLRSA-N 0 3 257.290 -1.380 20 0 CAADHN O=C(N[C@H]1CCOC1)C(=O)N1CCNCCNCC1 ZINC001335222285 885595790 /nfs/dbraw/zinc/59/57/90/885595790.db2.gz LLGZXHVBUZFYNR-JTQLQIEISA-N 0 3 270.333 -2.087 20 0 CAADHN COCCO[C@@H]1C[C@@H](CO)CN(C[C@@H](O)CO)C1 ZINC001335957685 885643408 /nfs/dbraw/zinc/64/34/08/885643408.db2.gz FVHPJBVIPWYCNI-IJLUTSLNSA-N 0 3 263.334 -1.315 20 0 CAADHN Cc1cc(CNC(=O)C(=O)N2CCNCCNCC2)no1 ZINC001335221088 885596706 /nfs/dbraw/zinc/59/67/06/885596706.db2.gz HGKUQQMXAICEKH-UHFFFAOYSA-N 0 3 295.343 -1.379 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CCN2C(=O)CCC2=O)C1=O ZINC001335229493 885596860 /nfs/dbraw/zinc/59/68/60/885596860.db2.gz LSPUJVBEKNYJFS-MRVPVSSYSA-N 0 3 282.300 -1.383 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CCN2C(=O)CCC2=O)C1=O ZINC001335229494 885597542 /nfs/dbraw/zinc/59/75/42/885597542.db2.gz LSPUJVBEKNYJFS-QMMMGPOBSA-N 0 3 282.300 -1.383 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCO1 ZINC001335242455 885599530 /nfs/dbraw/zinc/59/95/30/885599530.db2.gz XHUVZXWEPQVOKB-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC001335277778 885604185 /nfs/dbraw/zinc/60/41/85/885604185.db2.gz MLSKUPGBCQSRTR-IWSPIJDZSA-N 0 3 291.373 -1.516 20 0 CAADHN CN(CCO)C(=O)C(=O)N1CCNCCNCC1 ZINC001335282682 885606289 /nfs/dbraw/zinc/60/62/89/885606289.db2.gz WCFKJKSQDWUBKN-UHFFFAOYSA-N 0 3 258.322 -2.542 20 0 CAADHN C[C@](O)(CNC[C@H](O)CS(C)(=O)=O)C(F)F ZINC001335320617 885609795 /nfs/dbraw/zinc/60/97/95/885609795.db2.gz XVOQKMYVDCXGFO-XPUUQOCRSA-N 0 3 261.290 -1.002 20 0 CAADHN CCN(CCC(=O)NC)C(=O)C(=O)N1CCCNCC1 ZINC001335301428 885610315 /nfs/dbraw/zinc/61/03/15/885610315.db2.gz HHQACUKCFVWEDF-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN C[C@@](O)(CNC[C@@H](O)CS(C)(=O)=O)C(F)F ZINC001335320614 885610449 /nfs/dbraw/zinc/61/04/49/885610449.db2.gz XVOQKMYVDCXGFO-HTRCEHHLSA-N 0 3 261.290 -1.002 20 0 CAADHN COC(=O)C1(O)CN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC001335685337 885630903 /nfs/dbraw/zinc/63/09/03/885630903.db2.gz WKQFKNGRSPXEHK-UHFFFAOYSA-N 0 3 287.316 -2.247 20 0 CAADHN CC(C)(F)CNC(=O)C(=O)N1CCNCCNCC1 ZINC001335800848 885636359 /nfs/dbraw/zinc/63/63/59/885636359.db2.gz JCXYFTLIOMDYAR-UHFFFAOYSA-N 0 3 274.340 -1.128 20 0 CAADHN CONC(=O)C1CCN(CC(=O)N2CCNCC2)CC1 ZINC001335837011 885640205 /nfs/dbraw/zinc/64/02/05/885640205.db2.gz HDPYDXZGSNCSLO-UHFFFAOYSA-N 0 3 284.360 -1.192 20 0 CAADHN COCCO[C@@H]1C[C@H](CO)CN(C[C@@H](O)CO)C1 ZINC001335957686 885643233 /nfs/dbraw/zinc/64/32/33/885643233.db2.gz FVHPJBVIPWYCNI-QJPTWQEYSA-N 0 3 263.334 -1.315 20 0 CAADHN CN(CCOCCO)C[C@H](O)C1(O)CCOCC1 ZINC001335979255 885643320 /nfs/dbraw/zinc/64/33/20/885643320.db2.gz WZMIMNIDMNACER-NSHDSACASA-N 0 3 263.334 -1.171 20 0 CAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(N)=O ZINC001335994868 885643369 /nfs/dbraw/zinc/64/33/69/885643369.db2.gz VPGVEOKFLFPHGU-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN COC(=O)[C@@H]1CN(CCOCCO)C[C@H]1C(=O)OC ZINC001336083671 885646508 /nfs/dbraw/zinc/64/65/08/885646508.db2.gz JSSAZEMQQDVHHC-NXEZZACHSA-N 0 3 275.301 -1.111 20 0 CAADHN COC(=O)[C@H]1CN(CCOCCO)C[C@H]1C(=O)OC ZINC001336083670 885647073 /nfs/dbraw/zinc/64/70/73/885647073.db2.gz JSSAZEMQQDVHHC-AOOOYVTPSA-N 0 3 275.301 -1.111 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)C[C@]1(O)CCOC1 ZINC001336134874 885649135 /nfs/dbraw/zinc/64/91/35/885649135.db2.gz FZPPAYCRTRUWBE-CMPLNLGQSA-N 0 3 260.334 -1.043 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)C[C@@]1(O)CCOC1 ZINC001336134875 885649156 /nfs/dbraw/zinc/64/91/56/885649156.db2.gz FZPPAYCRTRUWBE-JQWIXIFHSA-N 0 3 260.334 -1.043 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)C[C@]1(O)CCOC1 ZINC001336134878 885649475 /nfs/dbraw/zinc/64/94/75/885649475.db2.gz FZPPAYCRTRUWBE-ZYHUDNBSSA-N 0 3 260.334 -1.043 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)C[C@@]1(O)CCOC1 ZINC001336134877 885649671 /nfs/dbraw/zinc/64/96/71/885649671.db2.gz FZPPAYCRTRUWBE-PWSUYJOCSA-N 0 3 260.334 -1.043 20 0 CAADHN C[C@@H]1CCOCCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC001336587007 885668238 /nfs/dbraw/zinc/66/82/38/885668238.db2.gz DROCHIKVIVQHLR-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC001336976652 885691776 /nfs/dbraw/zinc/69/17/76/885691776.db2.gz BSIVEEQSCQBMQR-UWVGGRQHSA-N 0 3 259.306 -1.676 20 0 CAADHN O=C(NC[C@H]1CCCOC1)C(=O)N1CCNCCNCC1 ZINC001336610954 885671261 /nfs/dbraw/zinc/67/12/61/885671261.db2.gz AXVDOLCAFVGHMI-GFCCVEGCSA-N 0 3 298.387 -1.449 20 0 CAADHN Cn1ccc(CNC(=O)C(=O)N2CCNCCNCC2)n1 ZINC001336632830 885672315 /nfs/dbraw/zinc/67/23/15/885672315.db2.gz UYKGZYZEWFLVKE-UHFFFAOYSA-N 0 3 294.359 -1.942 20 0 CAADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1nnc(N)n1 ZINC001336612481 885672473 /nfs/dbraw/zinc/67/24/73/885672473.db2.gz UREWWOASMFIOOH-IUCAKERBSA-N 0 3 265.321 -1.050 20 0 CAADHN O=C(NC[C@@H]1CCCOC1)C(=O)N1CCNCCNCC1 ZINC001336610955 885672900 /nfs/dbraw/zinc/67/29/00/885672900.db2.gz AXVDOLCAFVGHMI-LBPRGKRZSA-N 0 3 298.387 -1.449 20 0 CAADHN O=C(NCc1cscn1)C(=O)N1CCNCCNCC1 ZINC001336632023 885672986 /nfs/dbraw/zinc/67/29/86/885672986.db2.gz UYPJSDNHEBBPQM-UHFFFAOYSA-N 0 3 297.384 -1.219 20 0 CAADHN O=C(CNC[C@H](O)C[C@@]1(O)CCOC1)NC1CC1 ZINC001336727780 885680908 /nfs/dbraw/zinc/68/09/08/885680908.db2.gz PEOYPTAUYCWTSS-PWSUYJOCSA-N 0 3 258.318 -1.243 20 0 CAADHN O=C(C1CS(=O)(=O)C1)N1CCOC2(CNC2)C1 ZINC001336732333 885681466 /nfs/dbraw/zinc/68/14/66/885681466.db2.gz OXBJQGGCJFHENU-UHFFFAOYSA-N 0 3 260.315 -1.768 20 0 CAADHN C[C@H](O)CN[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC001336771526 885681143 /nfs/dbraw/zinc/68/11/43/885681143.db2.gz AFJLFHZVGROSRC-IUCAKERBSA-N 0 3 264.347 -1.398 20 0 CAADHN CN1CCN(C)CCN(Cc2cn(CC(N)=O)nn2)CC1 ZINC001336871735 885685220 /nfs/dbraw/zinc/68/52/20/885685220.db2.gz BYAPFYAVPJICLP-UHFFFAOYSA-N 0 3 295.391 -1.557 20 0 CAADHN C[C@@H](CNC(=O)N1CCNCCNCC1)S(C)(=O)=O ZINC001336862883 885685905 /nfs/dbraw/zinc/68/59/05/885685905.db2.gz FZKNRPQIGLOCSV-JTQLQIEISA-N 0 3 292.405 -1.376 20 0 CAADHN Cn1nnnc1CCCNC(=O)N1CCOC2(CNC2)C1 ZINC001336989585 885692394 /nfs/dbraw/zinc/69/23/94/885692394.db2.gz HFRHGXSSGDZAIY-UHFFFAOYSA-N 0 3 295.347 -1.474 20 0 CAADHN CN(CCCF)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001337485092 885702379 /nfs/dbraw/zinc/70/23/79/885702379.db2.gz HRRIERWNNPZNNG-VIFPVBQESA-N 0 3 261.297 -1.091 20 0 CAADHN COC(=O)[C@@H](F)CNC(=O)C(=O)N1CCCNCC1 ZINC001337554425 885708059 /nfs/dbraw/zinc/70/80/59/885708059.db2.gz JFORZCDYKOYTQN-QMMMGPOBSA-N 0 3 275.280 -1.564 20 0 CAADHN C[C@@H](NC[C@@H](O)C[C@]1(O)CCOC1)C(=O)N(C)C ZINC001337854924 885725319 /nfs/dbraw/zinc/72/53/19/885725319.db2.gz OFIDTSSJOBRVAO-JFGNBEQYSA-N 0 3 260.334 -1.045 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001338147632 885731366 /nfs/dbraw/zinc/73/13/66/885731366.db2.gz QPZJQDRWJZBTAG-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CC[C@H](O)[C@@H](F)C1 ZINC001338006203 885732444 /nfs/dbraw/zinc/73/24/44/885732444.db2.gz PSJXMSIYRSUHME-UWVGGRQHSA-N 0 3 275.324 -1.062 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001338005870 885733570 /nfs/dbraw/zinc/73/35/70/885733570.db2.gz PSJXMSIYRSUHME-NXEZZACHSA-N 0 3 275.324 -1.062 20 0 CAADHN CO[C@@H]1CC[C@H](NC(=O)C(=O)N2CCNCCNCC2)C1 ZINC001338279378 885734929 /nfs/dbraw/zinc/73/49/29/885734929.db2.gz ISAVGFLHFWALID-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN O=C(N[C@H]1CCCOCC1)C(=O)N1CCNCCNCC1 ZINC001338293011 885738959 /nfs/dbraw/zinc/73/89/59/885738959.db2.gz FBLAWLMWIMFLDA-LBPRGKRZSA-N 0 3 298.387 -1.307 20 0 CAADHN O=C(NC/C=C\Cl)C(=O)N1CCNCCNCC1 ZINC001338369377 885743222 /nfs/dbraw/zinc/74/32/22/885743222.db2.gz PXJYEPHJKGYELG-UPHRSURJSA-N 0 3 274.752 -1.124 20 0 CAADHN C[C@@H](O)CN[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC001338472409 885747015 /nfs/dbraw/zinc/74/70/15/885747015.db2.gz AFJLFHZVGROSRC-RKDXNWHRSA-N 0 3 264.347 -1.398 20 0 CAADHN CC[C@H](C(=O)N(C)C[C@H](O)CNC(=O)C(N)=O)N(C)C ZINC001338551655 885749962 /nfs/dbraw/zinc/74/99/62/885749962.db2.gz UMBFGGJETNBVRZ-RKDXNWHRSA-N 0 3 288.348 -2.253 20 0 CAADHN CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1nnc[nH]1 ZINC001339085423 885762002 /nfs/dbraw/zinc/76/20/02/885762002.db2.gz CYQBRKYBYQWCBW-KWQFWETISA-N 0 3 253.306 -1.082 20 0 CAADHN C[C@H](CNC(=O)CN1CCN(C)CC1)N1CCN(C)CC1 ZINC001339414250 885770218 /nfs/dbraw/zinc/77/02/18/885770218.db2.gz MKWKTHLDPOFSDU-CQSZACIVSA-N 0 3 297.447 -1.014 20 0 CAADHN C[C@@H](CNC(=O)CN1CCN(C)CC1)N1CCN(C)CC1 ZINC001339414249 885770456 /nfs/dbraw/zinc/77/04/56/885770456.db2.gz MKWKTHLDPOFSDU-AWEZNQCLSA-N 0 3 297.447 -1.014 20 0 CAADHN Cn1c(=O)cc(N2CCCN(CCO)CC2)[nH]c1=O ZINC001339575500 885774633 /nfs/dbraw/zinc/77/46/33/885774633.db2.gz RYGHPJHYROUDSO-UHFFFAOYSA-N 0 3 268.317 -1.010 20 0 CAADHN O=C(CCn1cnnn1)NCCN1CC[C@H](O)C1 ZINC001339698687 885777703 /nfs/dbraw/zinc/77/77/03/885777703.db2.gz FENBYRHVJYRVDW-VIFPVBQESA-N 0 3 254.294 -1.754 20 0 CAADHN CN1C(=S)N=NC1CCNC(=O)[C@@H]1CNCCN1C ZINC001339918332 885785631 /nfs/dbraw/zinc/78/56/31/885785631.db2.gz BTMVBINVGJGIHJ-QMMMGPOBSA-N 0 3 284.389 -1.334 20 0 CAADHN C[C@@H]1CN[C@@H](C)CN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001340129365 885792304 /nfs/dbraw/zinc/79/23/04/885792304.db2.gz UVRRXAFZAMMAGK-RNJXMRFFSA-N 0 3 254.290 -1.207 20 0 CAADHN C[C@@H]1CN(CCCNC(=O)[C@H](N)CO)C[C@@H](C)O1 ZINC001340155577 885796124 /nfs/dbraw/zinc/79/61/24/885796124.db2.gz RDLXTVVXXOAPHL-GMTAPVOTSA-N 0 3 259.350 -1.079 20 0 CAADHN OCCN(CCO)C[C@H](O)COC1CCOCC1 ZINC001340222849 885797372 /nfs/dbraw/zinc/79/73/72/885797372.db2.gz XZJBTUDVNPQIOK-NSHDSACASA-N 0 3 263.334 -1.171 20 0 CAADHN COC[C@H](N)C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC001340248190 885798470 /nfs/dbraw/zinc/79/84/70/885798470.db2.gz FOPMOCGFQQSKTR-MNOVXSKESA-N 0 3 258.366 -1.288 20 0 CAADHN CS(=O)(=O)C1(C(=O)NC[C@H]2CNCCO2)CC1 ZINC001340474088 885801266 /nfs/dbraw/zinc/80/12/66/885801266.db2.gz ZXYLUGMCTOLKTR-MRVPVSSYSA-N 0 3 262.331 -1.332 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@H]2CNCCO2)C1=O ZINC001340332956 885802465 /nfs/dbraw/zinc/80/24/65/885802465.db2.gz IBOJTORZYDDZGN-BDAKNGLRSA-N 0 3 257.290 -2.052 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC[C@@H]1CNCCO1 ZINC001340471307 885802923 /nfs/dbraw/zinc/80/29/23/885802923.db2.gz JJWZMDHRCWNMNN-VIFPVBQESA-N 0 3 256.306 -2.477 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H]2CNCCO2)NCC1=O ZINC001340471147 885803193 /nfs/dbraw/zinc/80/31/93/885803193.db2.gz HOYCBIMGQJWGDZ-RKDXNWHRSA-N 0 3 256.306 -2.479 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@H]2CNCCO2)C1=O ZINC001340332970 885803799 /nfs/dbraw/zinc/80/37/99/885803799.db2.gz IBOJTORZYDDZGN-RKDXNWHRSA-N 0 3 257.290 -2.052 20 0 CAADHN O=C1CCN(C[C@@H](O)C[C@@]2(O)CCOC2)CCN1 ZINC001340551336 885805560 /nfs/dbraw/zinc/80/55/60/885805560.db2.gz QWNMGOOTIGTRFO-JQWIXIFHSA-N 0 3 258.318 -1.289 20 0 CAADHN Cn1cc([C@@H](O)C(=O)N2CCOC3(CNC3)C2)cn1 ZINC001340678073 885809216 /nfs/dbraw/zinc/80/92/16/885809216.db2.gz UGELLQSRPTYWNF-SNVBAGLBSA-N 0 3 266.301 -1.346 20 0 CAADHN CC1N=NC(=S)N1CCNC(=O)[C@@H]1CNCCN1C ZINC001340727380 885812583 /nfs/dbraw/zinc/81/25/83/885812583.db2.gz QIWLEFOOFBYHED-VIFPVBQESA-N 0 3 284.389 -1.105 20 0 CAADHN O=C(CN1CCCCC(=O)C1=O)N[C@H]1COC2(CNC2)C1 ZINC001340738538 885812926 /nfs/dbraw/zinc/81/29/26/885812926.db2.gz KZFHBOVSDFWGTN-SNVBAGLBSA-N 0 3 295.339 -1.185 20 0 CAADHN O[C@@H](COC1CCOCC1)CN1C[C@@H](O)[C@@H](O)C1 ZINC001340810067 885815642 /nfs/dbraw/zinc/81/56/42/885815642.db2.gz WZTIVGVVHZLCAQ-JLLWLGSASA-N 0 3 261.318 -1.420 20 0 CAADHN C[C@H](CN1CCOCC1)NC(=O)[C@@H](N)C(C)(C)O ZINC001340810069 885815753 /nfs/dbraw/zinc/81/57/53/885815753.db2.gz UTHJHOHBHBOTMO-NXEZZACHSA-N 0 3 259.350 -1.079 20 0 CAADHN CCN(CC)CC(=O)N1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001341028047 885823726 /nfs/dbraw/zinc/82/37/26/885823726.db2.gz GOSUTDDKBYPWAZ-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN CC[C@H](C)[C@H](NC(=O)[C@@H]1CNCCN1C)C(N)=O ZINC001340981588 885824805 /nfs/dbraw/zinc/82/48/05/885824805.db2.gz CSFFLPQYCRZTEI-GUBZILKMSA-N 0 3 256.350 -1.094 20 0 CAADHN Cn1cnc(CCCNC(=O)[C@@H]2CNCCN2C)n1 ZINC001341161356 885827457 /nfs/dbraw/zinc/82/74/57/885827457.db2.gz AIQSLEWTSUYTLZ-JTQLQIEISA-N 0 3 266.349 -1.233 20 0 CAADHN NC1(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC001341261946 885831433 /nfs/dbraw/zinc/83/14/33/885831433.db2.gz PVSRRYBSIAETMB-SSDOTTSWSA-N 0 3 260.319 -2.162 20 0 CAADHN NC1(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC001341261948 885831723 /nfs/dbraw/zinc/83/17/23/885831723.db2.gz PVSRRYBSIAETMB-ZETCQYMHSA-N 0 3 260.319 -2.162 20 0 CAADHN O=C(CCn1ccnn1)N[C@@H]1COC2(CNC2)C1 ZINC001341370068 885834356 /nfs/dbraw/zinc/83/43/56/885834356.db2.gz VLMMZEIPWIWNGK-VIFPVBQESA-N 0 3 251.290 -1.085 20 0 CAADHN O=C(CCn1ccnn1)N[C@H]1COC2(CNC2)C1 ZINC001341370067 885835754 /nfs/dbraw/zinc/83/57/54/885835754.db2.gz VLMMZEIPWIWNGK-SECBINFHSA-N 0 3 251.290 -1.085 20 0 CAADHN Cn1cc([C@H](O)C(=O)N[C@@H]2COC3(CNC3)C2)cn1 ZINC001341370272 885839398 /nfs/dbraw/zinc/83/93/98/885839398.db2.gz WBLVMGFLPSLZQL-UWVGGRQHSA-N 0 3 266.301 -1.299 20 0 CAADHN CN1CCN(C)CCN(C(=O)CN2CCNCC2=O)CC1 ZINC001341511354 885840977 /nfs/dbraw/zinc/84/09/77/885840977.db2.gz DPBPGEFSVWHGLK-UHFFFAOYSA-N 0 3 297.403 -1.876 20 0 CAADHN O=C(Nc1cc2n(n1)CCNC2)[C@H]1CNCCO1 ZINC001341504886 885841777 /nfs/dbraw/zinc/84/17/77/885841777.db2.gz BRYWHQVLRJJKGO-SECBINFHSA-N 0 3 251.290 -1.087 20 0 CAADHN CN1CCN(C)CCN(C(=O)C2(O)CNC2)CC1 ZINC001341512093 885842598 /nfs/dbraw/zinc/84/25/98/885842598.db2.gz PSCOAMONOBKVLC-UHFFFAOYSA-N 0 3 256.350 -1.974 20 0 CAADHN Cn1nnnc1CCCNC(=O)[C@H]1CNCCN1C ZINC001341536344 885844269 /nfs/dbraw/zinc/84/42/69/885844269.db2.gz MEEKFVRBHMMNQM-SECBINFHSA-N 0 3 267.337 -1.838 20 0 CAADHN CN1C[C@H](C(=O)NCCN2CCCC2)NCC1=O ZINC001341630905 885849697 /nfs/dbraw/zinc/84/96/97/885849697.db2.gz VHZUZVVMZWQHAZ-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN Cn1cnn(CC(=O)NCCCN2CCN(C)CC2)c1=O ZINC001341604145 885851378 /nfs/dbraw/zinc/85/13/78/885851378.db2.gz QYWUJROSKPKMIH-UHFFFAOYSA-N 0 3 296.375 -1.665 20 0 CAADHN C[C@H]1[C@H](C)N(C[C@H](O)CO)CCN1C[C@H](O)CO ZINC001341692054 885855094 /nfs/dbraw/zinc/85/50/94/885855094.db2.gz GCWWZKPUSSJERO-BJDJZHNGSA-N 0 3 262.350 -1.913 20 0 CAADHN CC[C@@H](N)C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001341914917 885861931 /nfs/dbraw/zinc/86/19/31/885861931.db2.gz AMJREBZDLPFIJM-HLTSFMKQSA-N 0 3 261.347 -1.679 20 0 CAADHN C[C@@H](NC(=O)C1(O)CNC1)[C@H]1CN(C)CCN1C ZINC001341939977 885864805 /nfs/dbraw/zinc/86/48/05/885864805.db2.gz AMLOMGKEIHEODF-NXEZZACHSA-N 0 3 256.350 -1.929 20 0 CAADHN COC[C@H](N)C(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC001341940443 885865531 /nfs/dbraw/zinc/86/55/31/885865531.db2.gz IZMYFIINUFWAQU-DCAQKATOSA-N 0 3 258.366 -1.289 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@@H]2COC3(CNC3)C2)C1=O ZINC001341976961 885865787 /nfs/dbraw/zinc/86/57/87/885865787.db2.gz XUXOYGCARWERBF-DTWKUNHWSA-N 0 3 269.301 -1.909 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001342023954 885867982 /nfs/dbraw/zinc/86/79/82/885867982.db2.gz YMCMJBYBWHEXIS-GRYCIOLGSA-N 0 3 299.371 -1.066 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001342023956 885868057 /nfs/dbraw/zinc/86/80/57/885868057.db2.gz YMCMJBYBWHEXIS-QJPTWQEYSA-N 0 3 299.371 -1.066 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CCNNCC2)CC1=O ZINC001342024724 885869494 /nfs/dbraw/zinc/86/94/94/885869494.db2.gz FDGUAACEILSXIS-LLVKDONJSA-N 0 3 283.376 -1.667 20 0 CAADHN O=C(CCN1C(=O)CCC1=O)N[C@@H]1COC2(CNC2)C1 ZINC001342215740 885876973 /nfs/dbraw/zinc/87/69/73/885876973.db2.gz NQVWCEDDNAQWBF-VIFPVBQESA-N 0 3 281.312 -1.227 20 0 CAADHN COC[C@H]1CNCCN1C(=O)C[C@@H]1COCCN1 ZINC001342293979 885880222 /nfs/dbraw/zinc/88/02/22/885880222.db2.gz GOMYIBAXDPBYHN-GHMZBOCLSA-N 0 3 257.334 -1.188 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)CNCCOC)C1 ZINC001342243006 885880370 /nfs/dbraw/zinc/88/03/70/885880370.db2.gz COXQQPFCJSSVOB-SECBINFHSA-N 0 3 279.362 -1.628 20 0 CAADHN C[C@H](NC(=O)C[C@H]1CNCCO1)c1nnnn1C ZINC001342464297 885890399 /nfs/dbraw/zinc/89/03/99/885890399.db2.gz SWSGWEFFZUGEFN-YUMQZZPRSA-N 0 3 254.294 -1.234 20 0 CAADHN CN(C)CC(=O)N1CCNCCN(C(=O)CN(C)C)CC1 ZINC001342646343 885893143 /nfs/dbraw/zinc/89/31/43/885893143.db2.gz VPPNIHVRWQCWFK-UHFFFAOYSA-N 0 3 299.419 -1.630 20 0 CAADHN C[C@@H](NC1CC1)C(=O)NC[C@H](O)CS(C)(=O)=O ZINC001342611207 885893201 /nfs/dbraw/zinc/89/32/01/885893201.db2.gz KYJUKCJAUQMIQS-APPZFPTMSA-N 0 3 264.347 -1.351 20 0 CAADHN O=C1CNC(=O)N1CCCN1CC[C@H](CO)[C@@H](O)C1 ZINC001342948090 885904419 /nfs/dbraw/zinc/90/44/19/885904419.db2.gz RUQVMJWNIAZLNP-ZJUUUORDSA-N 0 3 271.317 -1.397 20 0 CAADHN O=C1CNC(=O)N1CCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC001342948085 885905178 /nfs/dbraw/zinc/90/51/78/885905178.db2.gz RUQVMJWNIAZLNP-UWVGGRQHSA-N 0 3 271.317 -1.397 20 0 CAADHN CCn1cnnc1CCNC(=O)[C@@H]1CNCCN1C ZINC001343426547 885913491 /nfs/dbraw/zinc/91/34/91/885913491.db2.gz YCHOCCUJHQHVQU-JTQLQIEISA-N 0 3 266.349 -1.140 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1CNCCO1 ZINC001343672108 885923501 /nfs/dbraw/zinc/92/35/01/885923501.db2.gz IOOJQVIXBWRDIS-JGVFFNPUSA-N 0 3 255.274 -1.856 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1CNCCO1 ZINC001343672110 885924806 /nfs/dbraw/zinc/92/48/06/885924806.db2.gz IOOJQVIXBWRDIS-SFYZADRCSA-N 0 3 255.274 -1.856 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2COC3(CNC3)C2)n(C)c1=O ZINC001343820089 885926385 /nfs/dbraw/zinc/92/63/85/885926385.db2.gz LODAZPISIHISAX-QMMMGPOBSA-N 0 3 266.301 -1.416 20 0 CAADHN Cn1cc(C(=O)N[C@H]2COC3(CNC3)C2)n(C)c1=O ZINC001343820087 885926564 /nfs/dbraw/zinc/92/65/64/885926564.db2.gz LODAZPISIHISAX-MRVPVSSYSA-N 0 3 266.301 -1.416 20 0 CAADHN O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1CCNC(=O)C1 ZINC001344000004 885929705 /nfs/dbraw/zinc/92/97/05/885929705.db2.gz NFFYTBPGFSVZGQ-IUCAKERBSA-N 0 3 253.302 -1.240 20 0 CAADHN CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC001345148524 885955625 /nfs/dbraw/zinc/95/56/25/885955625.db2.gz XAAWPAFKWZRYCB-UHFFFAOYSA-N 0 3 256.350 -1.172 20 0 CAADHN CNC(=O)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001345145569 885955887 /nfs/dbraw/zinc/95/58/87/885955887.db2.gz CXLHQEGBZVSIOQ-SNVBAGLBSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CCO)C(=O)C(=O)N1CCNCCC12CCOCC2 ZINC001345185527 885959669 /nfs/dbraw/zinc/95/96/69/885959669.db2.gz WNEMSHBAOXNNRN-UHFFFAOYSA-N 0 3 299.371 -1.192 20 0 CAADHN CCS(=O)(=O)CCNC[C@@H](O)C[C@@]1(O)CCOC1 ZINC001345183424 885959767 /nfs/dbraw/zinc/95/97/67/885959767.db2.gz PHCNEHKZDZCMNH-QWRGUYRKSA-N 0 3 281.374 -1.087 20 0 CAADHN NC(=O)NC(=O)CCNCC(=O)N1CCOCC1 ZINC001345635281 885967181 /nfs/dbraw/zinc/96/71/81/885967181.db2.gz LUACVTLTEGYEOW-UHFFFAOYSA-N 0 3 258.278 -1.980 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)C[C@H]2CNCCO2)CCO1 ZINC001345762410 885970798 /nfs/dbraw/zinc/97/07/98/885970798.db2.gz JEWSUOVHAGPROB-DTWKUNHWSA-N 0 3 257.290 -1.922 20 0 CAADHN CC(=O)N1CCN(C(=O)CCNC(=O)CN)CC1 ZINC001346044460 885980943 /nfs/dbraw/zinc/98/09/43/885980943.db2.gz MOHJORAJEMWYLY-UHFFFAOYSA-N 0 3 256.306 -1.858 20 0 CAADHN C[C@H](N)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001346056409 885985485 /nfs/dbraw/zinc/98/54/85/885985485.db2.gz ORLFFLVECVDVOL-VIFPVBQESA-N 0 3 296.327 -1.847 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001346193538 885993499 /nfs/dbraw/zinc/99/34/99/885993499.db2.gz GACDAQCDJRBJNP-JTQLQIEISA-N 0 3 296.371 -1.114 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001346865891 886019727 /nfs/dbraw/zinc/01/97/27/886019727.db2.gz HNXJRDTZDPVKMA-VHSXEESVSA-N 0 3 266.305 -1.659 20 0 CAADHN CCOCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001347062135 886023553 /nfs/dbraw/zinc/02/35/53/886023553.db2.gz DAMDNCDCCHQKFM-UHFFFAOYSA-N 0 3 297.315 -1.590 20 0 CAADHN C[C@H](CNC(=O)C(=O)N(CCN)CCO)S(C)(=O)=O ZINC001347092387 886026458 /nfs/dbraw/zinc/02/64/58/886026458.db2.gz XRFSJKNXMVWODH-MRVPVSSYSA-N 0 3 295.361 -2.685 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCC[C@H]1N1CCC(O)CC1 ZINC001347177500 886032334 /nfs/dbraw/zinc/03/23/34/886032334.db2.gz FGSZNAIVBVXNJG-NXEZZACHSA-N 0 3 255.318 -1.034 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@H]1CN2CCC1CC2 ZINC001347226364 886032280 /nfs/dbraw/zinc/03/22/80/886032280.db2.gz DALKNXOYXNDFKM-VIFPVBQESA-N 0 3 266.301 -1.251 20 0 CAADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC001347392986 886036984 /nfs/dbraw/zinc/03/69/84/886036984.db2.gz ZMLGCRSPRGGQGR-WDEREUQCSA-N 0 3 294.355 -1.184 20 0 CAADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC001347392983 886037092 /nfs/dbraw/zinc/03/70/92/886037092.db2.gz ZMLGCRSPRGGQGR-GHMZBOCLSA-N 0 3 294.355 -1.184 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCC(=O)N(C)CC1)C1CC1 ZINC001347464574 886040238 /nfs/dbraw/zinc/04/02/38/886040238.db2.gz CUVMOABJQHFTQE-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1ccoc1CC(N)=O ZINC001347783860 886052206 /nfs/dbraw/zinc/05/22/06/886052206.db2.gz FNACJGFRVLMAAR-QMMMGPOBSA-N 0 3 269.301 -1.040 20 0 CAADHN CCn1nncc1CNC(=O)C(=O)N1CCCNCC1 ZINC001348332216 886070625 /nfs/dbraw/zinc/07/06/25/886070625.db2.gz IRXHYHOSIQEUGM-UHFFFAOYSA-N 0 3 280.332 -1.264 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)CNC(C)=O)N(C)C ZINC001348344622 886076105 /nfs/dbraw/zinc/07/61/05/886076105.db2.gz ZNYGKPWOOSULKU-SNVBAGLBSA-N 0 3 272.349 -1.305 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@H]1COCCO1 ZINC001348515170 886087490 /nfs/dbraw/zinc/08/74/90/886087490.db2.gz OAPKHMNXGZUPFO-LLVKDONJSA-N 0 3 296.327 -1.092 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)[C@H]1COCCO1)N(C)C ZINC001348515166 886087817 /nfs/dbraw/zinc/08/78/17/886087817.db2.gz NXGOJBPYDSPOBM-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CCOC(=O)[C@H]1CNCCN1CCc1nnnn1C ZINC001348560627 886091629 /nfs/dbraw/zinc/09/16/29/886091629.db2.gz FBLSLBHAFIOZRY-SECBINFHSA-N 0 3 268.321 -1.411 20 0 CAADHN CCOC(=O)[C@@H]1CNCCN1CCc1nnnn1C ZINC001348560628 886091880 /nfs/dbraw/zinc/09/18/80/886091880.db2.gz FBLSLBHAFIOZRY-VIFPVBQESA-N 0 3 268.321 -1.411 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)[C@H]1CCC(=O)N1)N(C)C ZINC001348637121 886094951 /nfs/dbraw/zinc/09/49/51/886094951.db2.gz CILDMUVOWSGHOV-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)NC[C@@H]1CN(C)CCN1C ZINC001348833181 886103318 /nfs/dbraw/zinc/10/33/18/886103318.db2.gz YPNDEAVEZIXOPI-MCIONIFRSA-N 0 3 295.431 -1.263 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001348886575 886106081 /nfs/dbraw/zinc/10/60/81/886106081.db2.gz HICSUPSWYPIOHM-SECBINFHSA-N 0 3 295.299 -1.399 20 0 CAADHN C[C@H]1CN(C(=O)c2cn(CC(N)=O)nn2)[C@@H](C)CN1 ZINC001349403166 886124661 /nfs/dbraw/zinc/12/46/61/886124661.db2.gz JRCIQXGABHBSCU-YUMQZZPRSA-N 0 3 266.305 -1.414 20 0 CAADHN CS(=O)(=O)CCNC(=O)CNC[C@@H]1CCCO1 ZINC001349398691 886124489 /nfs/dbraw/zinc/12/44/89/886124489.db2.gz OMIDNCBTZWDVSR-VIFPVBQESA-N 0 3 264.347 -1.084 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001349381102 886124982 /nfs/dbraw/zinc/12/49/82/886124982.db2.gz BKCSKVWTOLSWBF-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN CC(C)[C@@H](C(=O)NCCNC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001349430875 886128073 /nfs/dbraw/zinc/12/80/73/886128073.db2.gz IHLPICRZSBAYCR-UWVGGRQHSA-N 0 3 299.375 -1.514 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCCNC(=O)C2)C1 ZINC001349438925 886128287 /nfs/dbraw/zinc/12/82/87/886128287.db2.gz ILLDXNLMHHVTMM-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CCCN(C)CC(=O)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001349431612 886128627 /nfs/dbraw/zinc/12/86/27/886128627.db2.gz CXZXSBVCWIVILT-ZJUUUORDSA-N 0 3 284.360 -1.318 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NCCNC(=O)c1nnn(C)n1 ZINC001349482141 886131988 /nfs/dbraw/zinc/13/19/88/886131988.db2.gz GQKAHDZNARXTBM-SECBINFHSA-N 0 3 295.347 -1.460 20 0 CAADHN C[C@H]1CCCN1CC(=O)NCCNC(=O)c1nnn(C)n1 ZINC001349482144 886132250 /nfs/dbraw/zinc/13/22/50/886132250.db2.gz GQKAHDZNARXTBM-VIFPVBQESA-N 0 3 295.347 -1.460 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)C1(C(N)=O)CC1)N(C)C ZINC001349538481 886135134 /nfs/dbraw/zinc/13/51/34/886135134.db2.gz OXEVRHKBGPBEEH-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H](O)C1 ZINC001349584239 886139256 /nfs/dbraw/zinc/13/92/56/886139256.db2.gz WERVIGAISKBYBA-SNVBAGLBSA-N 0 3 257.334 -1.010 20 0 CAADHN O=C1CCC(=O)N1CCN1[C@H](CO)CC[C@H]1CO ZINC001349672764 886144052 /nfs/dbraw/zinc/14/40/52/886144052.db2.gz GYRLUPRIFOMHEC-UWVGGRQHSA-N 0 3 256.302 -1.047 20 0 CAADHN CC(=O)NCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001349775777 886147650 /nfs/dbraw/zinc/14/76/50/886147650.db2.gz CARQHISEBVMHDY-WDEREUQCSA-N 0 3 270.333 -1.417 20 0 CAADHN CO[C@@H](CN)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC001349816540 886151858 /nfs/dbraw/zinc/15/18/58/886151858.db2.gz PUEGOSFVMHIONV-VGMNWLOBSA-N 0 3 257.290 -1.083 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001350046448 886156833 /nfs/dbraw/zinc/15/68/33/886156833.db2.gz ONPAAERHDYBFOS-AXFHLTTASA-N 0 3 283.328 -1.804 20 0 CAADHN CC[C@@H](C(=O)NCCCNC(=O)Cn1ncnn1)N(C)C ZINC001350089203 886161261 /nfs/dbraw/zinc/16/12/61/886161261.db2.gz FOUZOHWTSLJBKK-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC001350179548 886161467 /nfs/dbraw/zinc/16/14/67/886161467.db2.gz WLNSDFXJTHRVHQ-GXFFZTMASA-N 0 3 269.345 -1.010 20 0 CAADHN CCCN(C)CC(=O)NCCCNC(=O)c1nnn(C)n1 ZINC001350336129 886168031 /nfs/dbraw/zinc/16/80/31/886168031.db2.gz ZCJNAYWAMOYMMK-UHFFFAOYSA-N 0 3 297.363 -1.212 20 0 CAADHN COCCOC[C@H](O)CN[C@@H]1CCO[C@@H]1C(=O)OC ZINC001350389019 886169938 /nfs/dbraw/zinc/16/99/38/886169938.db2.gz ZKOMWCMXDCKSKB-MXWKQRLJSA-N 0 3 277.317 -1.070 20 0 CAADHN Cn1cc(C(=O)C(=O)N2CCOC3(CNC3)C2)cn1 ZINC001350456010 886174126 /nfs/dbraw/zinc/17/41/26/886174126.db2.gz TXDVGQMPVVRJGW-UHFFFAOYSA-N 0 3 264.285 -1.196 20 0 CAADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001350607332 886181099 /nfs/dbraw/zinc/18/10/99/886181099.db2.gz ARVVNDIWHOQXQP-SECBINFHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(C)N(C)CC(=O)N(C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001350744187 886183497 /nfs/dbraw/zinc/18/34/97/886183497.db2.gz ODHWKIIBZKYBML-SNVBAGLBSA-N 0 3 284.360 -1.129 20 0 CAADHN NC(=O)CCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001350730828 886183670 /nfs/dbraw/zinc/18/36/70/886183670.db2.gz JCXBIAGWBMFPAK-UWVGGRQHSA-N 0 3 255.318 -1.081 20 0 CAADHN NC(=O)CCC(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001350730827 886183909 /nfs/dbraw/zinc/18/39/09/886183909.db2.gz JCXBIAGWBMFPAK-NXEZZACHSA-N 0 3 255.318 -1.081 20 0 CAADHN O=C(CO)NCCC(=O)N1CC[C@H](N2CCC2)C1 ZINC001350830075 886185793 /nfs/dbraw/zinc/18/57/93/886185793.db2.gz UKMUNFIBQHTJCO-JTQLQIEISA-N 0 3 255.318 -1.208 20 0 CAADHN O=C(Cc1cnc[nH]1)NC[C@]1(CO)COCCN1 ZINC001350829657 886186682 /nfs/dbraw/zinc/18/66/82/886186682.db2.gz QOECMNLRYBXVJF-NSHDSACASA-N 0 3 254.290 -1.581 20 0 CAADHN CN(CCO)CCNC(=O)[C@H](O)c1cnn(C)c1 ZINC001350931307 886188115 /nfs/dbraw/zinc/18/81/15/886188115.db2.gz KVPKNUDQKUQCOY-SNVBAGLBSA-N 0 3 256.306 -1.506 20 0 CAADHN CO[C@H]1CCCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001350964090 886190189 /nfs/dbraw/zinc/19/01/89/886190189.db2.gz GLKMCDFAAAQRIZ-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CCn2cncn2)C1=O ZINC001350927296 886190722 /nfs/dbraw/zinc/19/07/22/886190722.db2.gz PYXJUFBQBAZYLN-MRVPVSSYSA-N 0 3 252.278 -1.240 20 0 CAADHN O=S(=O)(N1CCCOCC1)N1CCNCCNCC1 ZINC001350913165 886190894 /nfs/dbraw/zinc/19/08/94/886190894.db2.gz AMQUROABFZQITR-UHFFFAOYSA-N 0 3 292.405 -1.552 20 0 CAADHN CCn1cc(NC(=O)C(=O)N2CCNCCNCC2)cn1 ZINC001350990070 886193489 /nfs/dbraw/zinc/19/34/89/886193489.db2.gz MRMMAQFUKOHDHT-UHFFFAOYSA-N 0 3 294.359 -1.137 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC001351564895 886216692 /nfs/dbraw/zinc/21/66/92/886216692.db2.gz CVPVCFDZSUVLSA-BWZBUEFSSA-N 0 3 277.346 -1.858 20 0 CAADHN CC[C@@H](C(=O)NCCCN(C)C(=O)C(N)=O)N(C)C ZINC001351921361 886236363 /nfs/dbraw/zinc/23/63/63/886236363.db2.gz ZQENCUTVHUSBFA-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1C(=O)CCC1=O ZINC001352198941 886238975 /nfs/dbraw/zinc/23/89/75/886238975.db2.gz PXABSLMJKGISOQ-QMMMGPOBSA-N 0 3 257.290 -1.826 20 0 CAADHN CNS(=O)(=O)CCCNCCS(C)(=O)=O ZINC001352095002 886239676 /nfs/dbraw/zinc/23/96/76/886239676.db2.gz UIAKHOMWOCXSBN-UHFFFAOYSA-N 0 3 258.365 -1.440 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1C(=O)CCC1=O ZINC001352198940 886239737 /nfs/dbraw/zinc/23/97/37/886239737.db2.gz PXABSLMJKGISOQ-MRVPVSSYSA-N 0 3 257.290 -1.826 20 0 CAADHN CC[C@H](C(=O)N1CC[C@H](NC(=O)CC(N)=O)C1)N(C)C ZINC001352781517 886246105 /nfs/dbraw/zinc/24/61/05/886246105.db2.gz AREPFPSSMMRVEJ-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](NC[C@H](O)C[C@@]1(O)CCOC1)C(=O)N(C)C ZINC001352803471 886246813 /nfs/dbraw/zinc/24/68/13/886246813.db2.gz OFIDTSSJOBRVAO-UMNHJUIQSA-N 0 3 260.334 -1.045 20 0 CAADHN CC(C)OC[C@@H](O)CNC[C@H](O)CS(C)(=O)=O ZINC001352818781 886249125 /nfs/dbraw/zinc/24/91/25/886249125.db2.gz WPEQLAMPHJHCIE-UWVGGRQHSA-N 0 3 269.363 -1.233 20 0 CAADHN CC[C@H](C(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1)N(C)C ZINC001352897668 886252867 /nfs/dbraw/zinc/25/28/67/886252867.db2.gz MADHRCSKIJENNU-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN Cn1c(CNC(=O)CN2CCN(C)CC2)n[nH]c1=O ZINC001352950461 886256761 /nfs/dbraw/zinc/25/67/61/886256761.db2.gz RZXWPDZJBHLIQG-UHFFFAOYSA-N 0 3 268.321 -1.616 20 0 CAADHN O=C(C[C@H]1CCNC1=O)N1CCOC2(CNC2)C1 ZINC001353068136 886259402 /nfs/dbraw/zinc/25/94/02/886259402.db2.gz LUYFXNLRSHOSMF-SECBINFHSA-N 0 3 253.302 -1.287 20 0 CAADHN O=C(NCc1nccs1)C(=O)N1CCNCCNCC1 ZINC001353143034 886262736 /nfs/dbraw/zinc/26/27/36/886262736.db2.gz RIRJXIAKARIKJG-UHFFFAOYSA-N 0 3 297.384 -1.219 20 0 CAADHN O=C(NC/C=C\Cl)C(=O)NC[C@@H]1CNCCO1 ZINC001353148734 886262843 /nfs/dbraw/zinc/26/28/43/886262843.db2.gz HTKJYMMWFWXIOI-JQSQLHRZSA-N 0 3 261.709 -1.040 20 0 CAADHN O=C(NCC1CCOCC1)C(=O)N1CCNCCNCC1 ZINC001353131531 886263778 /nfs/dbraw/zinc/26/37/78/886263778.db2.gz NKVIKKWGTLAXEJ-UHFFFAOYSA-N 0 3 298.387 -1.449 20 0 CAADHN O=C(NC/C=C/Cl)C(=O)NC[C@@H]1CNCCO1 ZINC001353148732 886264352 /nfs/dbraw/zinc/26/43/52/886264352.db2.gz HTKJYMMWFWXIOI-CMLYIYFCSA-N 0 3 261.709 -1.040 20 0 CAADHN COCCNC(=O)CNC[C@@H](O)COC1CCOCC1 ZINC001353297090 886271488 /nfs/dbraw/zinc/27/14/88/886271488.db2.gz CPUGHXBOIWWTHC-LLVKDONJSA-N 0 3 290.360 -1.105 20 0 CAADHN CC[C@@H](O)CNCC(=O)NCCN1CCOCC1 ZINC001353278361 886272082 /nfs/dbraw/zinc/27/20/82/886272082.db2.gz QLLNICPZQKZBBF-LLVKDONJSA-N 0 3 259.350 -1.205 20 0 CAADHN CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)CC(N)=O)C1)N(C)C ZINC001353587233 886284584 /nfs/dbraw/zinc/28/45/84/886284584.db2.gz MPQDBLCHJCNUJN-OPRDCNLKSA-N 0 3 284.360 -1.035 20 0 CAADHN CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001354157002 886301003 /nfs/dbraw/zinc/30/10/03/886301003.db2.gz XUUMOYSPJIZALS-JZYVYDRUSA-N 0 3 282.344 -1.614 20 0 CAADHN CCN1C[C@@H](CNC(=O)[C@@H]2CNCCN2C)CC1=O ZINC001354190197 886301911 /nfs/dbraw/zinc/30/19/11/886301911.db2.gz FOEDPENWWDZKQB-MNOVXSKESA-N 0 3 268.361 -1.125 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)CCO1 ZINC001354246117 886306921 /nfs/dbraw/zinc/30/69/21/886306921.db2.gz DWURMSCPEBXPRH-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN O=C(CCn1cnnn1)N[C@@H]1COC2(CNC2)C1 ZINC001354260085 886306975 /nfs/dbraw/zinc/30/69/75/886306975.db2.gz NYNILYPEJMKYHX-QMMMGPOBSA-N 0 3 252.278 -1.690 20 0 CAADHN CCN(C)C(C)(C)C(=O)N(C)CCNC(=O)C(N)=O ZINC001355865453 886347549 /nfs/dbraw/zinc/34/75/49/886347549.db2.gz ASJYNUJZTGDBKM-UHFFFAOYSA-N 0 3 272.349 -1.223 20 0 CAADHN NS(=O)(=O)[C@H]1CCN(CC2(O)CCOCC2)C1 ZINC001354350945 886310262 /nfs/dbraw/zinc/31/02/62/886310262.db2.gz LMXKTYXWLOXZEO-VIFPVBQESA-N 0 3 264.347 -1.109 20 0 CAADHN CN1CCC[C@H]1CNC(=O)[C@H]1CN(C)C(=O)CN1 ZINC001354450757 886313664 /nfs/dbraw/zinc/31/36/64/886313664.db2.gz RRKLSIANYLYQSM-VHSXEESVSA-N 0 3 254.334 -1.373 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)[C@@H]3CNCCN3C)C[C@H]2C1=O ZINC001354524480 886314001 /nfs/dbraw/zinc/31/40/01/886314001.db2.gz XCMVBHFQHPJQRM-AEJSXWLSSA-N 0 3 280.328 -2.037 20 0 CAADHN CC(C)[C@H](C(=O)NC[C@@H](C)NC(=O)C(N)=O)N(C)C ZINC001354705762 886320847 /nfs/dbraw/zinc/32/08/47/886320847.db2.gz FUWPDOLUHMBBEV-RKDXNWHRSA-N 0 3 272.349 -1.321 20 0 CAADHN CC(C)[C@H](C(=O)NC[C@H](C)NC(=O)C(N)=O)N(C)C ZINC001354705761 886321410 /nfs/dbraw/zinc/32/14/10/886321410.db2.gz FUWPDOLUHMBBEV-DTWKUNHWSA-N 0 3 272.349 -1.321 20 0 CAADHN CS(=O)(=O)N1CC(CN2C[C@H](O)[C@@H](CO)C2)C1 ZINC001354765189 886324340 /nfs/dbraw/zinc/32/43/40/886324340.db2.gz UOTABPHHHKJDRK-ZJUUUORDSA-N 0 3 264.347 -1.837 20 0 CAADHN OCc1cn([C@@H]2CCCN(C[C@H](O)CO)C2)nn1 ZINC001354752114 886326234 /nfs/dbraw/zinc/32/62/34/886326234.db2.gz IMTGLFVXPMGDMR-MNOVXSKESA-N 0 3 256.306 -1.240 20 0 CAADHN CO[C@@H]1CCOC[C@H]1NC(=O)C(=O)N(C)CCN(C)C ZINC001355036908 886329004 /nfs/dbraw/zinc/32/90/04/886329004.db2.gz SKHBOMFFFJJPSC-GHMZBOCLSA-N 0 3 287.360 -1.074 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCN(C)C(=O)CC(N)=O)C1 ZINC001355915761 886353258 /nfs/dbraw/zinc/35/32/58/886353258.db2.gz NNOIITXIZJLDQA-JTQLQIEISA-N 0 3 284.360 -1.222 20 0 CAADHN C[C@H](NC[C@H](O)C1(O)CCOCC1)C(=O)N(C)C ZINC001356096103 886355703 /nfs/dbraw/zinc/35/57/03/886355703.db2.gz CELGNOLBBLSNJQ-UWVGGRQHSA-N 0 3 260.334 -1.045 20 0 CAADHN CON(C)C(=O)[C@H](C)NC[C@@H](O)C[C@]1(O)CCOC1 ZINC001356101477 886356924 /nfs/dbraw/zinc/35/69/24/886356924.db2.gz HGMMVDYKLBNWON-JBLDHEPKSA-N 0 3 276.333 -1.113 20 0 CAADHN NC1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)CC1 ZINC001356403016 886364548 /nfs/dbraw/zinc/36/45/48/886364548.db2.gz WRSHAASGAQQZID-CMPLNLGQSA-N 0 3 269.345 -1.180 20 0 CAADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCNCCNCC2)CCO1 ZINC001356439640 886365696 /nfs/dbraw/zinc/36/56/96/886365696.db2.gz KJRWSEZLPPYKKD-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCCNCC2)CCO1 ZINC001356439643 886366713 /nfs/dbraw/zinc/36/67/13/886366713.db2.gz KJRWSEZLPPYKKD-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN Cn1cc(NC(=O)C2CNCCS2(=O)=O)cn1 ZINC001356512858 886370560 /nfs/dbraw/zinc/37/05/60/886370560.db2.gz PLXSWRQVROJFDG-QMMMGPOBSA-N 0 3 258.303 -1.255 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC001356842955 886384453 /nfs/dbraw/zinc/38/44/53/886384453.db2.gz SRQZDHQYUFSLSC-UWVGGRQHSA-N 0 3 282.344 -1.375 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)C(N)=O)C1 ZINC001356831107 886386997 /nfs/dbraw/zinc/38/69/97/886386997.db2.gz WGQBFUISLNHXLX-SECBINFHSA-N 0 3 268.317 -1.860 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NC(=O)[C@@H](CC)N(C)C ZINC001356918560 886390393 /nfs/dbraw/zinc/39/03/93/886390393.db2.gz FSHBKVZCVKHTCQ-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN COC(=O)CSCCNC(=O)[C@@H]1CNCCN1C ZINC001357254616 886400222 /nfs/dbraw/zinc/40/02/22/886400222.db2.gz PSMHRODLMRTXEG-VIFPVBQESA-N 0 3 275.374 -1.088 20 0 CAADHN COC[C@H](N)C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC001357431337 886406018 /nfs/dbraw/zinc/40/60/18/886406018.db2.gz SSMTWOXXCCCUBA-QWRGUYRKSA-N 0 3 258.366 -1.288 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCCON ZINC001357679986 886411711 /nfs/dbraw/zinc/41/17/11/886411711.db2.gz IZYDLIQZBGBIKH-UHFFFAOYSA-N 0 3 289.380 -1.072 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC/C=C\CNC(=O)CC(N)=O)C1 ZINC001357685388 886411791 /nfs/dbraw/zinc/41/17/91/886411791.db2.gz KZWIOSOMZBTUAX-OTDNITJGSA-N 0 3 296.371 -1.008 20 0 CAADHN CN1CCC[C@H](C(=O)NC[C@@H]2CNCCO2)C1=O ZINC001357619654 886412065 /nfs/dbraw/zinc/41/20/65/886412065.db2.gz OPQAIAODDWYMAQ-VHSXEESVSA-N 0 3 255.318 -1.041 20 0 CAADHN CN1CCC[C@H](C(=O)NC[C@H]2CNCCO2)C1=O ZINC001357619652 886412792 /nfs/dbraw/zinc/41/27/92/886412792.db2.gz OPQAIAODDWYMAQ-NXEZZACHSA-N 0 3 255.318 -1.041 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N1CCOC2(CNC2)C1 ZINC001357911592 886414862 /nfs/dbraw/zinc/41/48/62/886414862.db2.gz WQRHKEUZJVAIIJ-MRVPVSSYSA-N 0 3 267.285 -1.760 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)N1CCCC1)NC(=O)C(N)=O ZINC001358349867 886423278 /nfs/dbraw/zinc/42/32/78/886423278.db2.gz LXGOBMWTNUTCTJ-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001358519020 886431537 /nfs/dbraw/zinc/43/15/37/886431537.db2.gz PFDOACUJWKVDNV-QMMMGPOBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001358543543 886433906 /nfs/dbraw/zinc/43/39/06/886433906.db2.gz RDHGOXBHADNAPV-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(C)C(C)(C)C(=O)NC1(CNC(=O)C(N)=O)CC1 ZINC001358688997 886439403 /nfs/dbraw/zinc/43/94/03/886439403.db2.gz AMIGJKORHUTGOD-UHFFFAOYSA-N 0 3 284.360 -1.033 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N[C@@]23CCN(C2)CCC3)c1=O ZINC001361598287 886468003 /nfs/dbraw/zinc/46/80/03/886468003.db2.gz VSYFSMIXZOZIPZ-AWEZNQCLSA-N 0 3 292.339 -1.099 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)NCCN1CCCC1 ZINC001361611630 886468867 /nfs/dbraw/zinc/46/88/67/886468867.db2.gz WXFBFDQPFSVTFA-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)c1cn(CC(N)=O)nn1 ZINC001361630899 886471807 /nfs/dbraw/zinc/47/18/07/886471807.db2.gz HEXASEZLJXLELI-VIFPVBQESA-N 0 3 280.332 -1.070 20 0 CAADHN NC(=O)Cn1cc(C(=O)N[C@@]23CCN(C2)CCC3)nn1 ZINC001361716390 886477321 /nfs/dbraw/zinc/47/73/21/886477321.db2.gz REOQWVNUMFGDQV-LBPRGKRZSA-N 0 3 278.316 -1.269 20 0 CAADHN CC1CCN(CCNC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001362086308 886529523 /nfs/dbraw/zinc/52/95/23/886529523.db2.gz FCFJFHNMZCRDPZ-SNVBAGLBSA-N 0 3 272.349 -1.136 20 0 CAADHN CC1CCN(CCNC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001362086299 886529846 /nfs/dbraw/zinc/52/98/46/886529846.db2.gz FCFJFHNMZCRDPZ-JTQLQIEISA-N 0 3 272.349 -1.136 20 0 CAADHN CCN(CC)CC(=O)N1CCN(C(=O)C2(O)COC2)CC1 ZINC001362100684 886532820 /nfs/dbraw/zinc/53/28/20/886532820.db2.gz QOQLDJKUZGURKR-UHFFFAOYSA-N 0 3 299.371 -1.240 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@@H](CO)NC(N)=O ZINC001362235978 886564909 /nfs/dbraw/zinc/56/49/09/886564909.db2.gz RWSASFCJMOSFKV-SZEHBUNVSA-N 0 3 270.333 -1.386 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CC1C(=O)N=CNC1=O ZINC001362307300 886581950 /nfs/dbraw/zinc/58/19/50/886581950.db2.gz CNBMVYRJAJRLPA-LBPRGKRZSA-N 0 3 284.316 -1.141 20 0 CAADHN Nc1ncn(CC(=O)N[C@H](CO)CN2CCCCC2)n1 ZINC001362436370 886614359 /nfs/dbraw/zinc/61/43/59/886614359.db2.gz YCXFFESTSGQHNJ-JTQLQIEISA-N 0 3 282.348 -1.177 20 0 CAADHN NC(=O)CCC(=O)NCC(=O)NCCN1CCCCC1 ZINC001362455355 886616227 /nfs/dbraw/zinc/61/62/27/886616227.db2.gz DMKPTHNNYRYNNA-UHFFFAOYSA-N 0 3 284.360 -1.030 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001362440532 886618042 /nfs/dbraw/zinc/61/80/42/886618042.db2.gz PWAIPZHVNZIEHK-JMJZKYOTSA-N 0 3 283.332 -1.374 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CO)CN2CCCC2)O1 ZINC001362507454 886633115 /nfs/dbraw/zinc/63/31/15/886633115.db2.gz BHZPRWJIOCQRQM-OUAUKWLOSA-N 0 3 285.344 -1.408 20 0 CAADHN CCN(CCO)CCNC(=O)c1cn(CCOC)nn1 ZINC001362546837 886643248 /nfs/dbraw/zinc/64/32/48/886643248.db2.gz UYBKKESKYLDMSE-UHFFFAOYSA-N 0 3 285.348 -1.032 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)[C@@H](CO)NC(N)=O)CN1C1CC1 ZINC001362550760 886643852 /nfs/dbraw/zinc/64/38/52/886643852.db2.gz ZZYXNVINRYNYIR-KHQFGBGNSA-N 0 3 270.333 -1.243 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001362595910 886656501 /nfs/dbraw/zinc/65/65/01/886656501.db2.gz UYGZTRZYIOEQEG-AEJSXWLSSA-N 0 3 282.344 -1.314 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001362616978 886659398 /nfs/dbraw/zinc/65/93/98/886659398.db2.gz LJPKTJZKEDTMJM-LLVKDONJSA-N 0 3 282.304 -2.440 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001362619977 886662692 /nfs/dbraw/zinc/66/26/92/886662692.db2.gz XNJKCGKUQZVMIC-ZDUSSCGKSA-N 0 3 278.312 -1.023 20 0 CAADHN O=C(CO)NCCC(=O)N[C@@H](CO)CN1CCCC1 ZINC001362662605 886670568 /nfs/dbraw/zinc/67/05/68/886670568.db2.gz ARIQCHWGRUNNKU-SNVBAGLBSA-N 0 3 273.333 -1.942 20 0 CAADHN CNC(=O)NCC(=O)NCC(=O)NCCN1CCCCC1 ZINC001362663458 886670844 /nfs/dbraw/zinc/67/08/44/886670844.db2.gz ZJYNPXVNWYJJRJ-UHFFFAOYSA-N 0 3 299.375 -1.366 20 0 CAADHN CN(CCO)CCN(C)C(=O)C1(S(N)(=O)=O)CC1 ZINC001362715033 886684555 /nfs/dbraw/zinc/68/45/55/886684555.db2.gz ACMRTUVJMIPVAP-UHFFFAOYSA-N 0 3 279.362 -1.810 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCN1CC[C@@H](O)C1)C(N)=O ZINC001362768793 886703374 /nfs/dbraw/zinc/70/33/74/886703374.db2.gz HWEKEGSDHKYWLQ-ZJUUUORDSA-N 0 3 286.332 -2.451 20 0 CAADHN CN1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001362794513 886708635 /nfs/dbraw/zinc/70/86/35/886708635.db2.gz HYYDTAKQZXDDDS-GVXVVHGQSA-N 0 3 282.344 -1.116 20 0 CAADHN CN1C[C@@H](O)C[C@]1(C)C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001362794511 886709243 /nfs/dbraw/zinc/70/92/43/886709243.db2.gz HYYDTAKQZXDDDS-GMXVVIOVSA-N 0 3 282.344 -1.116 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@@]12CCN(C1)CCC2)C(N)=O ZINC001362802169 886713452 /nfs/dbraw/zinc/71/34/52/886713452.db2.gz YXFIVQDTNHEORT-GWCFXTLKSA-N 0 3 282.344 -1.279 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(O)COC1 ZINC001362823505 886718139 /nfs/dbraw/zinc/71/81/39/886718139.db2.gz PUNDRIGRNDIPHG-VIFPVBQESA-N 0 3 271.317 -1.674 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(O)COC1 ZINC001362823501 886719146 /nfs/dbraw/zinc/71/91/46/886719146.db2.gz PUNDRIGRNDIPHG-SECBINFHSA-N 0 3 271.317 -1.674 20 0 CAADHN O=C(CNC(=O)C1(O)COC1)NCCN1CCCCC1 ZINC001362822851 886720340 /nfs/dbraw/zinc/72/03/40/886720340.db2.gz RHGHHNDRBTUYIO-UHFFFAOYSA-N 0 3 285.344 -1.534 20 0 CAADHN Nc1ncn(CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)n1 ZINC001362838163 886721391 /nfs/dbraw/zinc/72/13/91/886721391.db2.gz GJLMPEDMSVUDRP-UWVGGRQHSA-N 0 3 280.332 -1.472 20 0 CAADHN Nc1ncn(CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)n1 ZINC001362838175 886721857 /nfs/dbraw/zinc/72/18/57/886721857.db2.gz GJLMPEDMSVUDRP-ZJUUUORDSA-N 0 3 280.332 -1.472 20 0 CAADHN Nc1ncn(CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)n1 ZINC001362838169 886722570 /nfs/dbraw/zinc/72/25/70/886722570.db2.gz GJLMPEDMSVUDRP-VHSXEESVSA-N 0 3 280.332 -1.472 20 0 CAADHN Cc1cn2nnc(C(=O)N[C@@H](CO)CN(C)C)c2c(=O)[nH]1 ZINC001362858346 886731929 /nfs/dbraw/zinc/73/19/29/886731929.db2.gz YYOZRBLTIANXOI-MRVPVSSYSA-N 0 3 294.315 -1.209 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@@H](O)C(C)(C)O)C2)CC1 ZINC001362927057 886747149 /nfs/dbraw/zinc/74/71/49/886747149.db2.gz RXBUKGYWOSGUKI-GFCCVEGCSA-N 0 3 285.388 -1.176 20 0 CAADHN CN1CCN(CC2CN(C(=O)Cn3nnc(N)n3)C2)CC1 ZINC001362927282 886747540 /nfs/dbraw/zinc/74/75/40/886747540.db2.gz XQRDRABRWHZWCU-UHFFFAOYSA-N 0 3 294.363 -2.039 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)N[C@H](CO)CN1CCCC1 ZINC001362961843 886753339 /nfs/dbraw/zinc/75/33/39/886753339.db2.gz GDRHEYJXUUCWEB-JTQLQIEISA-N 0 3 298.343 -1.499 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001362993665 886759550 /nfs/dbraw/zinc/75/95/50/886759550.db2.gz UEHUCBBQIHBGAG-SNVBAGLBSA-N 0 3 298.343 -2.172 20 0 CAADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CC(N[C@@H]2CCOC2)C1 ZINC001362994765 886763131 /nfs/dbraw/zinc/76/31/31/886763131.db2.gz ZGSXFAQTIXQZIL-APPZFPTMSA-N 0 3 282.300 -1.826 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC(NS(N)(=O)=O)C2)C1 ZINC001363080160 886785764 /nfs/dbraw/zinc/78/57/64/886785764.db2.gz FBCBPYSHYQRZNC-QMMMGPOBSA-N 0 3 276.362 -1.668 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001363119239 886796191 /nfs/dbraw/zinc/79/61/91/886796191.db2.gz XMFVAUVDJKCMGX-FRRDWIJNSA-N 0 3 283.372 -1.422 20 0 CAADHN COC(=O)c1cn(CC(=O)N(C)CCN(C)CCO)nn1 ZINC001363139687 886802100 /nfs/dbraw/zinc/80/21/00/886802100.db2.gz FQGUPFGJSLULAA-UHFFFAOYSA-N 0 3 299.331 -1.553 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)C[C@H](O)C(C)(C)O ZINC001363197450 886825850 /nfs/dbraw/zinc/82/58/50/886825850.db2.gz PTMYATRTAWTCEX-NEPJUHHUSA-N 0 3 276.377 -1.257 20 0 CAADHN CN(C)CCN1CCN(C(=O)Cn2cnc(N)n2)CC1=O ZINC001363204259 886828594 /nfs/dbraw/zinc/82/85/94/886828594.db2.gz WMTNNJRVESGSBV-UHFFFAOYSA-N 0 3 295.347 -1.907 20 0 CAADHN NS(=O)(=O)CCCC(=O)NCCN1CC[C@@H](O)C1 ZINC001363211669 886830681 /nfs/dbraw/zinc/83/06/81/886830681.db2.gz LQONKHCORLCXFK-SECBINFHSA-N 0 3 279.362 -1.762 20 0 CAADHN CC(C)(O)CN1CC[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001363229384 886833616 /nfs/dbraw/zinc/83/36/16/886833616.db2.gz XBIWRAKOSBXCLP-GARJFASQSA-N 0 3 299.371 -1.019 20 0 CAADHN COC(=O)CC1(NC[C@H](O)CO)CCS(=O)(=O)CC1 ZINC001363223551 886834914 /nfs/dbraw/zinc/83/49/14/886834914.db2.gz NZVXEJXTTOKTBQ-VIFPVBQESA-N 0 3 295.357 -1.560 20 0 CAADHN NC(=O)C1(NC[C@H](O)C2(O)CCOCC2)CCOCC1 ZINC001363265214 886845682 /nfs/dbraw/zinc/84/56/82/886845682.db2.gz SEWUKXRLRHDQDA-JTQLQIEISA-N 0 3 288.344 -1.487 20 0 CAADHN CN1CC(C(=O)NC[C@@]2(CO)COCCN2)=NC1=O ZINC001363273741 886849080 /nfs/dbraw/zinc/84/90/80/886849080.db2.gz MBAGZWLQFBEYGZ-LLVKDONJSA-N 0 3 270.289 -1.794 20 0 CAADHN CN1CC(C(=O)NC[C@]2(CO)COCCN2)=NC1=O ZINC001363273742 886849666 /nfs/dbraw/zinc/84/96/66/886849666.db2.gz MBAGZWLQFBEYGZ-NSHDSACASA-N 0 3 270.289 -1.794 20 0 CAADHN CCN1C[C@H](CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)OC1=O ZINC001363304062 886860963 /nfs/dbraw/zinc/86/09/63/886860963.db2.gz RAQLNWWOBXHPSX-CIUDSAMLSA-N 0 3 284.316 -1.654 20 0 CAADHN CNS(=O)(=O)CCN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001363302509 886861608 /nfs/dbraw/zinc/86/16/08/886861608.db2.gz FIQQHAQMIWMKEE-BQBZGAKWSA-N 0 3 278.334 -2.946 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CC[C@H](CNS(C)(=O)=O)C1 ZINC001363299555 886862460 /nfs/dbraw/zinc/86/24/60/886862460.db2.gz YCWAMVNMHGLNGF-KOLCDFICSA-N 0 3 294.373 -1.219 20 0 CAADHN COC(=O)[C@](C)(O)CN1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001363299552 886862717 /nfs/dbraw/zinc/86/27/17/886862717.db2.gz YCWAMVNMHGLNGF-GXSJLCMTSA-N 0 3 294.373 -1.219 20 0 CAADHN Cn1ncnc1C1(O)CCN(CCC(=O)NC(N)=O)CC1 ZINC001363299015 886863850 /nfs/dbraw/zinc/86/38/50/886863850.db2.gz TYTVIXJYIDIRRC-UHFFFAOYSA-N 0 3 296.331 -1.317 20 0 CAADHN COC(=O)Cn1cc(CCN2CCC(CO)(CO)C2)nn1 ZINC001363305279 886864485 /nfs/dbraw/zinc/86/44/85/886864485.db2.gz WUUDGMBROJEMPZ-UHFFFAOYSA-N 0 3 298.343 -1.330 20 0 CAADHN CC1CCN(CC(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001363317760 886865022 /nfs/dbraw/zinc/86/50/22/886865022.db2.gz QTTCTNLKLSBKKI-PHIMTYICSA-N 0 3 296.371 -1.237 20 0 CAADHN CC[C@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)N(C)C ZINC001363311717 886865122 /nfs/dbraw/zinc/86/51/22/886865122.db2.gz GLYBWFQFLCVZHP-HRDYMLBCSA-N 0 3 270.333 -1.628 20 0 CAADHN CC[C@H](C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)N(C)C ZINC001363311721 886865975 /nfs/dbraw/zinc/86/59/75/886865975.db2.gz GLYBWFQFLCVZHP-IWSPIJDZSA-N 0 3 270.333 -1.628 20 0 CAADHN CN1CCC(N(CCO)C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001363466106 886906557 /nfs/dbraw/zinc/90/65/57/886906557.db2.gz LJXNDDBGYCVMIG-JTQLQIEISA-N 0 3 298.343 -1.500 20 0 CAADHN Cn1cnc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1=O ZINC001363467546 886909835 /nfs/dbraw/zinc/90/98/35/886909835.db2.gz RZFVGMQRVIBQRO-VHSXEESVSA-N 0 3 278.312 -1.329 20 0 CAADHN C[C@H]1CCN(CC(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1 ZINC001363492184 886915528 /nfs/dbraw/zinc/91/55/28/886915528.db2.gz SPXUFXVEGUPOIO-LPEHRKFASA-N 0 3 282.344 -1.627 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC(O)(C(N)=O)C2)CC1=O ZINC001363503059 886922264 /nfs/dbraw/zinc/92/22/64/886922264.db2.gz WTUARANDXJECQE-SECBINFHSA-N 0 3 298.343 -2.545 20 0 CAADHN CN1CCO[C@@H](C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)C1 ZINC001363534890 886931803 /nfs/dbraw/zinc/93/18/03/886931803.db2.gz FKKIMWPHLSRWNQ-YNEHKIRRSA-N 0 3 283.372 -1.016 20 0 CAADHN CN(CCO)CCNC(=O)c1cnn(C[C@H](O)CO)c1 ZINC001363586226 886940681 /nfs/dbraw/zinc/94/06/81/886940681.db2.gz ZEYDLFIIKJBNPU-NSHDSACASA-N 0 3 286.332 -2.110 20 0 CAADHN CN(CCO)CCNC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001363586221 886942091 /nfs/dbraw/zinc/94/20/91/886942091.db2.gz ZEYDLFIIKJBNPU-LLVKDONJSA-N 0 3 286.332 -2.110 20 0 CAADHN O=C([C@@H]1CCS(=O)(=O)N1)N1CC(N[C@@H]2CCOC2)C1 ZINC001363632802 886953803 /nfs/dbraw/zinc/95/38/03/886953803.db2.gz MZPFKLCYDQFQNC-SCZZXKLOSA-N 0 3 289.357 -1.733 20 0 CAADHN Cn1c(CNC(=O)CN2CCC(CO)CC2)n[nH]c1=O ZINC001363633084 886954131 /nfs/dbraw/zinc/95/41/31/886954131.db2.gz NQOHETWEEQTWLN-UHFFFAOYSA-N 0 3 283.332 -1.159 20 0 CAADHN CN1CCN(CC(=O)N2CC(N[C@@H]3CCOC3)C2)CC1=O ZINC001363672738 886960216 /nfs/dbraw/zinc/96/02/16/886960216.db2.gz FVRDPUQTDOAZAB-LLVKDONJSA-N 0 3 296.371 -1.650 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)N1CC(N[C@H]2CCOC2)C1 ZINC001363684521 886960604 /nfs/dbraw/zinc/96/06/04/886960604.db2.gz WIFMBQIPXSGUGY-VIFPVBQESA-N 0 3 294.311 -1.462 20 0 CAADHN CC(C)C(=O)N[C@@H](CO)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001363673495 886960741 /nfs/dbraw/zinc/96/07/41/886960741.db2.gz GTGTULLQGVIEIB-JQWIXIFHSA-N 0 3 299.371 -1.291 20 0 CAADHN Cn1nc(C(=O)N2CC(N[C@@H]3CCOC3)C2)ccc1=O ZINC001363701437 886962507 /nfs/dbraw/zinc/96/25/07/886962507.db2.gz XDFNEPZHMRCMNR-SECBINFHSA-N 0 3 278.312 -1.017 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001363696258 886962560 /nfs/dbraw/zinc/96/25/60/886962560.db2.gz JCOZSDOJYAVMHX-DTWKUNHWSA-N 0 3 291.373 -1.487 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001363696277 886962959 /nfs/dbraw/zinc/96/29/59/886962959.db2.gz JCOZSDOJYAVMHX-IUCAKERBSA-N 0 3 291.373 -1.487 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001363696564 886963041 /nfs/dbraw/zinc/96/30/41/886963041.db2.gz JRXBGMDQJHPHCY-MRVPVSSYSA-N 0 3 292.361 -2.371 20 0 CAADHN O=C(CO)NCCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001363705149 886963736 /nfs/dbraw/zinc/96/37/36/886963736.db2.gz PMBWJQLHFMMLQQ-SECBINFHSA-N 0 3 271.317 -1.926 20 0 CAADHN Cn1nc(C(=O)N2CC(N[C@H]3CCOC3)C2)ccc1=O ZINC001363701459 886963946 /nfs/dbraw/zinc/96/39/46/886963946.db2.gz XDFNEPZHMRCMNR-VIFPVBQESA-N 0 3 278.312 -1.017 20 0 CAADHN NS(=O)(=O)NC[C@@H]1CCCN(C[C@@H]2COCCO2)C1 ZINC001363777748 886979405 /nfs/dbraw/zinc/97/94/05/886979405.db2.gz LGFWITPWEIYRMC-WDEREUQCSA-N 0 3 293.389 -1.093 20 0 CAADHN NS(=O)(=O)C1CCN(C[C@H](O)Cn2cccn2)CC1 ZINC001363790355 886979801 /nfs/dbraw/zinc/97/98/01/886979801.db2.gz LIWWKDAYLZAYAI-JTQLQIEISA-N 0 3 288.373 -1.003 20 0 CAADHN NS(=O)(=O)C1CCN(C[C@@H](O)Cn2cccn2)CC1 ZINC001363790364 886980519 /nfs/dbraw/zinc/98/05/19/886980519.db2.gz LIWWKDAYLZAYAI-SNVBAGLBSA-N 0 3 288.373 -1.003 20 0 CAADHN CS(=O)(=O)N1CC(CN[C@]2(C(N)=O)CCOC2)C1 ZINC001363809364 886984951 /nfs/dbraw/zinc/98/49/51/886984951.db2.gz ROKDCLJMEBRFFV-SNVBAGLBSA-N 0 3 277.346 -1.888 20 0 CAADHN NC(=O)[C@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C(N)=O ZINC001363812721 886987102 /nfs/dbraw/zinc/98/71/02/886987102.db2.gz SGYKRMJVYLBOMQ-HLTSFMKQSA-N 0 3 289.357 -2.060 20 0 CAADHN NS(=O)(=O)NC1CCN(C[C@@H]2CNC(=O)C2)CC1 ZINC001363811904 886988437 /nfs/dbraw/zinc/98/84/37/886988437.db2.gz MJJKYHCOOIVWNQ-QMMMGPOBSA-N 0 3 276.362 -1.620 20 0 CAADHN NC(=O)[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(N)=O ZINC001363812716 886989079 /nfs/dbraw/zinc/98/90/79/886989079.db2.gz SGYKRMJVYLBOMQ-DJLDLDEBSA-N 0 3 289.357 -2.060 20 0 CAADHN CN(C)CCN1CCN(C[C@H](O)C(C)(C)O)CC1=O ZINC001363819410 886991274 /nfs/dbraw/zinc/99/12/74/886991274.db2.gz YTSQBUHVUHBRER-NSHDSACASA-N 0 3 273.377 -1.176 20 0 CAADHN Cn1nnnc1CCN[C@](C)(Cn1cccn1)C(N)=O ZINC001363850942 886996235 /nfs/dbraw/zinc/99/62/35/886996235.db2.gz LTNJLGQJJXCULV-LLVKDONJSA-N 0 3 278.320 -1.517 20 0 CAADHN O=C(N1CC[C@H]2[C@H]1CCCN2CCO)C1(O)COC1 ZINC001363885032 886996983 /nfs/dbraw/zinc/99/69/83/886996983.db2.gz LHCNVRNBYGIRPS-WDEREUQCSA-N 0 3 270.329 -1.195 20 0 CAADHN NC(=O)Cn1cc(CN2CCN3C[C@H](O)C[C@H]3C2)nn1 ZINC001363917348 887005027 /nfs/dbraw/zinc/00/50/27/887005027.db2.gz MYAZYAORUNEHGB-WDEREUQCSA-N 0 3 280.332 -1.986 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC(CO)(CO)C2)CC1=O ZINC001363959910 887008321 /nfs/dbraw/zinc/00/83/21/887008321.db2.gz NHMGGMPPUBBDTE-NSHDSACASA-N 0 3 299.371 -1.790 20 0 CAADHN COC[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1nn[n-]n1 ZINC001364025645 887022079 /nfs/dbraw/zinc/02/20/79/887022079.db2.gz IDDMBBXNEVEVAI-SNVBAGLBSA-N 0 3 297.363 -1.503 20 0 CAADHN COC[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)c1nn[n-]n1 ZINC001364025645 887022086 /nfs/dbraw/zinc/02/20/86/887022086.db2.gz IDDMBBXNEVEVAI-SNVBAGLBSA-N 0 3 297.363 -1.503 20 0 CAADHN O=C(N[C@H](CO)[C@H]1CCOC1)[C@H]1CN2CCN1CCC2 ZINC001364061670 887028754 /nfs/dbraw/zinc/02/87/54/887028754.db2.gz RYGPOSDDHCJMRH-YNEHKIRRSA-N 0 3 283.372 -1.110 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1nnnn1C ZINC001364128228 887037682 /nfs/dbraw/zinc/03/76/82/887037682.db2.gz MYZOPCHPPKFZBS-ZJUUUORDSA-N 0 3 279.348 -1.223 20 0 CAADHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)c1nnnn1C ZINC001364128222 887037837 /nfs/dbraw/zinc/03/78/37/887037837.db2.gz MYZOPCHPPKFZBS-VHSXEESVSA-N 0 3 279.348 -1.223 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)CC1=O ZINC001364147122 887040346 /nfs/dbraw/zinc/04/03/46/887040346.db2.gz AXEJHTPSAPQMMR-YFKTTZPYSA-N 0 3 299.371 -1.603 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C2CC2)C[C@H]1C(N)=O ZINC001364193319 887043599 /nfs/dbraw/zinc/04/35/99/887043599.db2.gz KGSILBXPLFAEGS-MXWKQRLJSA-N 0 3 294.355 -1.342 20 0 CAADHN CC(C)[C@@H](C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)N(C)C ZINC001364212596 887047274 /nfs/dbraw/zinc/04/72/74/887047274.db2.gz ZCRZKDHQDJYJKA-BBBLOLIVSA-N 0 3 284.360 -1.382 20 0 CAADHN CN1C[C@@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C(C)(C)C1 ZINC001364240717 887049197 /nfs/dbraw/zinc/04/91/97/887049197.db2.gz UQSWIRNCTDXYEJ-DDHJBXDOSA-N 0 3 284.356 -1.144 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N1CC(N[C@@H]2CCOC2)C1)C(N)=O ZINC001364284994 887054501 /nfs/dbraw/zinc/05/45/01/887054501.db2.gz BVZOVPRDVJKZEC-KOLCDFICSA-N 0 3 298.343 -2.044 20 0 CAADHN C[C@H](CCN(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001364358715 887069072 /nfs/dbraw/zinc/06/90/72/887069072.db2.gz YHSWPMDFHPXACD-OPRDCNLKSA-N 0 3 278.374 -1.152 20 0 CAADHN CNC(=O)NC(=O)CCN1CCN(CCO)C[C@H]1C ZINC001364418691 887079459 /nfs/dbraw/zinc/07/94/59/887079459.db2.gz WDOUMTUZDDAHEJ-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN Nc1nnn(CC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)n1 ZINC001364416412 887079598 /nfs/dbraw/zinc/07/95/98/887079598.db2.gz PIKAPGWFKJGDLO-NXEZZACHSA-N 0 3 295.347 -1.687 20 0 CAADHN COC(=O)Cn1cc(CCN2CC[C@@H](O)[C@H](CO)C2)nn1 ZINC001364437523 887083512 /nfs/dbraw/zinc/08/35/12/887083512.db2.gz GPVGSNYNQLRTFX-CMPLNLGQSA-N 0 3 298.343 -1.331 20 0 CAADHN C[C@@H]1CN(CCNS(C)(=O)=O)[C@@H](C)CN1CCO ZINC001364445245 887086341 /nfs/dbraw/zinc/08/63/41/887086341.db2.gz KWLRIPHATZNUQH-WDEREUQCSA-N 0 3 279.406 -1.078 20 0 CAADHN NC(=O)[C@@H]1CN([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C(N)=O ZINC001364452166 887087660 /nfs/dbraw/zinc/08/76/60/887087660.db2.gz OFSXPIQEHVYQLR-MXWKQRLJSA-N 0 3 294.355 -1.342 20 0 CAADHN C[C@@H]1CN(CCNS(C)(=O)=O)[C@H](C)CN1CCO ZINC001364445232 887088554 /nfs/dbraw/zinc/08/85/54/887088554.db2.gz KWLRIPHATZNUQH-GHMZBOCLSA-N 0 3 279.406 -1.078 20 0 CAADHN CC(C)NC(=O)NCCN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364451492 887089274 /nfs/dbraw/zinc/08/92/74/887089274.db2.gz KHNUFEABKKACTG-RKDXNWHRSA-N 0 3 285.348 -1.787 20 0 CAADHN NC(=O)[C@H]1CN(Cc2cnn(CCF)c2)C[C@@H]1C(N)=O ZINC001364469561 887091947 /nfs/dbraw/zinc/09/19/47/887091947.db2.gz MKVPWUJCEFKGCX-UWVGGRQHSA-N 0 3 283.307 -1.129 20 0 CAADHN NC(=O)[C@H]1CN(C[C@H]2CN(C3CC3)C(=O)O2)C[C@H]1C(N)=O ZINC001364469784 887092154 /nfs/dbraw/zinc/09/21/54/887092154.db2.gz OGANETIOKPAOHY-LPEHRKFASA-N 0 3 296.327 -1.512 20 0 CAADHN C[NH+](C)[C@@H]1[C@H]2CN(Cc3cc(=O)n4nc(N)[n-]c4n3)C[C@H]21 ZINC001364487789 887094033 /nfs/dbraw/zinc/09/40/33/887094033.db2.gz RLQGMPBRPFRRCW-JZYVYDRUSA-N 0 3 289.343 -1.008 20 0 CAADHN OCC1(CO)CCN(C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001364490491 887094664 /nfs/dbraw/zinc/09/46/64/887094664.db2.gz BCJABQNEZMIEBT-OCCSQVGLSA-N 0 3 289.372 -1.044 20 0 CAADHN O[C@@H](COC1CCOCC1)CN1CC[C@@H](O)[C@@H](O)C1 ZINC001364485171 887095359 /nfs/dbraw/zinc/09/53/59/887095359.db2.gz NBTUCOHPZZDWJE-RTXFEEFZSA-N 0 3 275.345 -1.030 20 0 CAADHN O[C@@H](CN1CC[C@@H](O)[C@@H](O)C1)CC1(O)CCOCC1 ZINC001364483972 887096403 /nfs/dbraw/zinc/09/64/03/887096403.db2.gz BXODTRGMSLVNBB-UTUOFQBUSA-N 0 3 275.345 -1.294 20 0 CAADHN OC[C@@]12COCCN1CCN(CC1(O)CCOCC1)C2 ZINC001364501600 887099407 /nfs/dbraw/zinc/09/94/07/887099407.db2.gz CLCFCVHSPVLNQV-ZDUSSCGKSA-N 0 3 286.372 -1.093 20 0 CAADHN C[C@H](O)[C@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCO1 ZINC001364512808 887101459 /nfs/dbraw/zinc/10/14/59/887101459.db2.gz PIFXQKCTBRUYEX-YNEHKIRRSA-N 0 3 283.372 -1.016 20 0 CAADHN CNC(=O)NC(=O)CCNC1(C(=O)NC)CCOCC1 ZINC001364520207 887102188 /nfs/dbraw/zinc/10/21/88/887102188.db2.gz TZFDWAIDSSERCE-UHFFFAOYSA-N 0 3 286.332 -1.283 20 0 CAADHN C[C@](Cn1cccn1)(NC[C@H](O)Cn1cccn1)C(N)=O ZINC001364520752 887102959 /nfs/dbraw/zinc/10/29/59/887102959.db2.gz FAQLETRDALGRHY-WCQYABFASA-N 0 3 292.343 -1.026 20 0 CAADHN C[C@@H]1CN(CCn2cnnn2)C[C@H]1CS(N)(=O)=O ZINC001364528155 887106669 /nfs/dbraw/zinc/10/66/69/887106669.db2.gz GBDGBJCCQMLXAT-BDAKNGLRSA-N 0 3 274.350 -1.471 20 0 CAADHN CCN1C[C@@H](CNCc2cn(CC(N)=O)nn2)CC1=O ZINC001364618516 887114818 /nfs/dbraw/zinc/11/48/18/887114818.db2.gz ZDWPPAXTGHYEMM-SECBINFHSA-N 0 3 280.332 -1.279 20 0 CAADHN CN(C[C@H](O)CN1C[C@@H](O)[C@@H](O)C1)CC(F)(F)F ZINC001364657045 887121401 /nfs/dbraw/zinc/12/14/01/887121401.db2.gz UOTZSSRGQBENJF-XHNCKOQMSA-N 0 3 272.267 -1.121 20 0 CAADHN O=C1COC[C@]2(CNC3COCCOC3)COCCN12 ZINC001364705171 887122952 /nfs/dbraw/zinc/12/29/52/887122952.db2.gz LIOPNCWYDXHBDY-ZDUSSCGKSA-N 0 3 286.328 -1.381 20 0 CAADHN CNC(=O)Cc1noc(CN2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC001364740553 887130248 /nfs/dbraw/zinc/13/02/48/887130248.db2.gz IXPDPGCVTFHRLT-VHSXEESVSA-N 0 3 295.343 -1.391 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H](CS(N)(=O)=O)C1 ZINC001364816041 887139386 /nfs/dbraw/zinc/13/93/86/887139386.db2.gz VVKMXCFCMWNDJB-MWLCHTKSSA-N 0 3 294.373 -1.089 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001364820769 887139722 /nfs/dbraw/zinc/13/97/22/887139722.db2.gz DJKSZXGMGDEOAP-QMMMGPOBSA-N 0 3 292.361 -1.512 20 0 CAADHN C[C@@H](O)c1cn(CC(=O)NCCN(C)CCO)nn1 ZINC001364835969 887143622 /nfs/dbraw/zinc/14/36/22/887143622.db2.gz NVOBRBPXFUUWAU-SECBINFHSA-N 0 3 271.321 -1.628 20 0 CAADHN CO[C@H]1COCC[C@H]1CNCc1cn(CC(N)=O)nn1 ZINC001364895369 887152534 /nfs/dbraw/zinc/15/25/34/887152534.db2.gz JRWGDXIBDZNEQV-ONGXEEELSA-N 0 3 283.332 -1.096 20 0 CAADHN Cn1cnn(CC(=O)N2CC(N[C@H]3CCOC3)C2)c1=O ZINC001364996224 887160059 /nfs/dbraw/zinc/16/00/59/887160059.db2.gz DEPISXZFBVZHLG-VIFPVBQESA-N 0 3 281.316 -1.829 20 0 CAADHN O=C(CN1CCCNC1=O)N1CC(N[C@H]2CCOC2)C1 ZINC001364995999 887161677 /nfs/dbraw/zinc/16/16/77/887161677.db2.gz BICBVWIHHSLLLQ-JTQLQIEISA-N 0 3 282.344 -1.009 20 0 CAADHN COC(=O)CNC(=O)CN[C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC001364987416 887161883 /nfs/dbraw/zinc/16/18/83/887161883.db2.gz FVDCOCPZAJUWHU-DTWKUNHWSA-N 0 3 292.357 -1.312 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001365133225 887173093 /nfs/dbraw/zinc/17/30/93/887173093.db2.gz HSPRYWVMEDAAAP-NXEZZACHSA-N 0 3 293.389 -1.110 20 0 CAADHN Cn1nnc(CNC(=O)NC[C@@H]2CCCCN2CCO)n1 ZINC001365155525 887175946 /nfs/dbraw/zinc/17/59/46/887175946.db2.gz RRHIMRKLRMMXKH-JTQLQIEISA-N 0 3 297.363 -1.144 20 0 CAADHN CNC(=O)[C@H](O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC001365196712 887182587 /nfs/dbraw/zinc/18/25/87/887182587.db2.gz YKUARPBAESFHDW-VHSXEESVSA-N 0 3 270.333 -2.401 20 0 CAADHN OCC1(CO)CCN(C[C@@H](O)CC2(O)CCOCC2)C1 ZINC001365315490 887190599 /nfs/dbraw/zinc/19/05/99/887190599.db2.gz CCXVXMUMKFGQBL-LBPRGKRZSA-N 0 3 289.372 -1.044 20 0 CAADHN CN(C)C(=O)CCN1CCN2CCOC[C@]2(CO)C1 ZINC001365336430 887196643 /nfs/dbraw/zinc/19/66/43/887196643.db2.gz JXBSDQORXVSZJB-CYBMUJFWSA-N 0 3 271.361 -1.156 20 0 CAADHN NC(=O)Cn1cc(CNC[C@H]2CC(=O)N(C3CC3)C2)nn1 ZINC001365460291 887216546 /nfs/dbraw/zinc/21/65/46/887216546.db2.gz IBTAFMAGZTVDEV-SECBINFHSA-N 0 3 292.343 -1.136 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1C[C@H](O)[C@H](CO)C1 ZINC001365556328 887218684 /nfs/dbraw/zinc/21/86/84/887218684.db2.gz WEVCCOQWDOAXDU-LOWDOPEQSA-N 0 3 299.371 -1.156 20 0 CAADHN COCn1ncc(C)c1CN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001365610861 887227607 /nfs/dbraw/zinc/22/76/07/887227607.db2.gz SACHRIRZDXKOKD-AOOOYVTPSA-N 0 3 295.343 -1.186 20 0 CAADHN CCN(CCO)CCNC(=O)NC[C@@H]1CNC(=O)C1 ZINC001365646255 887231248 /nfs/dbraw/zinc/23/12/48/887231248.db2.gz OEDZBQKNKGSHDU-JTQLQIEISA-N 0 3 272.349 -1.264 20 0 CAADHN CN(C)CCCS(=O)(=O)N(C)CCS(N)(=O)=O ZINC001365731015 887243265 /nfs/dbraw/zinc/24/32/65/887243265.db2.gz BPIQAJLYWWLDTM-UHFFFAOYSA-N 0 3 287.407 -1.512 20 0 CAADHN COC[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc[n-]1 ZINC001365798681 887247480 /nfs/dbraw/zinc/24/74/80/887247480.db2.gz ATWJJLIKIOJKII-MNOVXSKESA-N 0 3 297.359 -1.113 20 0 CAADHN COC[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc[n-]1 ZINC001365798681 887247496 /nfs/dbraw/zinc/24/74/96/887247496.db2.gz ATWJJLIKIOJKII-MNOVXSKESA-N 0 3 297.359 -1.113 20 0 CAADHN COC[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc[n-]1 ZINC001365798682 887247855 /nfs/dbraw/zinc/24/78/55/887247855.db2.gz ATWJJLIKIOJKII-QWRGUYRKSA-N 0 3 297.359 -1.113 20 0 CAADHN COC[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc[n-]1 ZINC001365798682 887247869 /nfs/dbraw/zinc/24/78/69/887247869.db2.gz ATWJJLIKIOJKII-QWRGUYRKSA-N 0 3 297.359 -1.113 20 0 CAADHN CN(C(=O)CCn1cnnn1)C1CCN(CCO)CC1 ZINC001365923503 887249784 /nfs/dbraw/zinc/24/97/84/887249784.db2.gz HASQQAQAQNYUJD-UHFFFAOYSA-N 0 3 282.348 -1.022 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001365967665 887253976 /nfs/dbraw/zinc/25/39/76/887253976.db2.gz FEJGAOWKSKDLDB-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001365940095 887257668 /nfs/dbraw/zinc/25/76/68/887257668.db2.gz SWHDWZPXETZBSV-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(CCCO)C1 ZINC001365986729 887259901 /nfs/dbraw/zinc/25/99/01/887259901.db2.gz DQSVNCUEHPTEIU-VHSXEESVSA-N 0 3 293.389 -1.503 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001365976127 887260629 /nfs/dbraw/zinc/26/06/29/887260629.db2.gz FZMAZVGAZMEKLQ-WOPDTQHZSA-N 0 3 299.371 -1.195 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001365992941 887260977 /nfs/dbraw/zinc/26/09/77/887260977.db2.gz ZNRXRCSACUFPRV-NXEZZACHSA-N 0 3 296.327 -1.419 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001365976112 887261618 /nfs/dbraw/zinc/26/16/18/887261618.db2.gz FZMAZVGAZMEKLQ-TUAOUCFPSA-N 0 3 299.371 -1.195 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001365975539 887261858 /nfs/dbraw/zinc/26/18/58/887261858.db2.gz IAHKLODWLXFONL-JTQLQIEISA-N 0 3 293.389 -1.108 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001365976120 887264002 /nfs/dbraw/zinc/26/40/02/887264002.db2.gz FZMAZVGAZMEKLQ-UTUOFQBUSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(CCCO)C1 ZINC001365986727 887264302 /nfs/dbraw/zinc/26/43/02/887264302.db2.gz DQSVNCUEHPTEIU-UWVGGRQHSA-N 0 3 293.389 -1.503 20 0 CAADHN COCC(=O)NC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001366023725 887264614 /nfs/dbraw/zinc/26/46/14/887264614.db2.gz ULZGIOHVGYRXDW-VXNVDRBHSA-N 0 3 286.332 -1.299 20 0 CAADHN Cn1nccc1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001366086726 887266071 /nfs/dbraw/zinc/26/60/71/887266071.db2.gz GJFVBPMTYTXSAY-QMMMGPOBSA-N 0 3 294.315 -1.581 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CNC(=O)CCNC(N)=O)C1CC1 ZINC001366081204 887266943 /nfs/dbraw/zinc/26/69/43/887266943.db2.gz URGYKYLIHQFCRP-WCBMZHEXSA-N 0 3 299.375 -1.336 20 0 CAADHN Cn1nc(C(=O)NC[C@H](NCC(N)=O)C2CC2)ccc1=O ZINC001366054372 887267004 /nfs/dbraw/zinc/26/70/04/887267004.db2.gz IXSYLCNVBUADTA-JTQLQIEISA-N 0 3 293.327 -1.636 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001366032953 887267079 /nfs/dbraw/zinc/26/70/79/887267079.db2.gz LWZNERRDXKHPSO-MNOVXSKESA-N 0 3 296.371 -1.115 20 0 CAADHN NC(=O)C[NH2+][C@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001366034059 887267353 /nfs/dbraw/zinc/26/73/53/887267353.db2.gz PCYBLTMDCFCORP-SECBINFHSA-N 0 3 279.300 -1.235 20 0 CAADHN Cn1ccc(=O)c(C(=O)NC[C@@H](NCC(N)=O)C2CC2)c1 ZINC001366036910 887267385 /nfs/dbraw/zinc/26/73/85/887267385.db2.gz COAQCSAKXSAPHN-LLVKDONJSA-N 0 3 292.339 -1.031 20 0 CAADHN Cc1conc1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001366104236 887267610 /nfs/dbraw/zinc/26/76/10/887267610.db2.gz IYQZGYMXMLCUND-QMMMGPOBSA-N 0 3 295.299 -1.018 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C1CC1 ZINC001366049167 887268058 /nfs/dbraw/zinc/26/80/58/887268058.db2.gz XOZYGZJBJHEQBB-WDEREUQCSA-N 0 3 296.371 -1.305 20 0 CAADHN Cc1ncoc1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001366088531 887268277 /nfs/dbraw/zinc/26/82/77/887268277.db2.gz SCTUJNGRYOBQGW-QMMMGPOBSA-N 0 3 295.299 -1.018 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CN1CCOCC1=O)C1CC1 ZINC001366042101 887268451 /nfs/dbraw/zinc/26/84/51/887268451.db2.gz YOBNJGXHKDRQFA-SNVBAGLBSA-N 0 3 298.343 -2.185 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C1CC1 ZINC001366049166 887268769 /nfs/dbraw/zinc/26/87/69/887268769.db2.gz XOZYGZJBJHEQBB-QWRGUYRKSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)Cn1cncn1)C1CC1)C(N)=O ZINC001366063447 887269256 /nfs/dbraw/zinc/26/92/56/887269256.db2.gz XVTODWPOQZQJNX-SCZZXKLOSA-N 0 3 280.332 -1.364 20 0 CAADHN CS(=O)(=O)NCCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001366094904 887269380 /nfs/dbraw/zinc/26/93/80/887269380.db2.gz YQBAROJEYJDVIX-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN Cn1nccc1COCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001366096692 887269697 /nfs/dbraw/zinc/26/96/97/887269697.db2.gz YJVDZASOWMRDRC-JTQLQIEISA-N 0 3 295.343 -1.388 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001366038847 887270002 /nfs/dbraw/zinc/27/00/02/887270002.db2.gz YVWITCBJPRAAFR-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](NCC(N)=O)C1 ZINC001366169718 887275350 /nfs/dbraw/zinc/27/53/50/887275350.db2.gz DRVUGIUNOWJMQV-XHNCKOQMSA-N 0 3 291.373 -1.611 20 0 CAADHN Cn1cc(C(=O)N2CCCC[C@H]2CNCC(N)=O)nn1 ZINC001366217220 887277052 /nfs/dbraw/zinc/27/70/52/887277052.db2.gz QKHSGRPXEGDCIY-VIFPVBQESA-N 0 3 280.332 -1.115 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001366220937 887277206 /nfs/dbraw/zinc/27/72/06/887277206.db2.gz VAHYMRTUSUMQPH-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCO1)NCC(=O)NC(N)=O ZINC001366255884 887277825 /nfs/dbraw/zinc/27/78/25/887277825.db2.gz WAEJFTNCMMFETE-JGVFFNPUSA-N 0 3 272.305 -1.545 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1CCOC1)NCC(=O)NC(N)=O ZINC001366257240 887277883 /nfs/dbraw/zinc/27/78/83/887277883.db2.gz FLYFTYBHQHRKGR-IUCAKERBSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001366252544 887278042 /nfs/dbraw/zinc/27/80/42/887278042.db2.gz OBTAQKJFRFPWME-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@H](CNC(=O)CS(C)(=O)=O)N[C@H]1CCNC1=O ZINC001366255434 887278389 /nfs/dbraw/zinc/27/83/89/887278389.db2.gz FDEOAJHMPPLTCZ-SFYZADRCSA-N 0 3 277.346 -1.986 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)NCC(=O)N1CCCC1 ZINC001366249351 887278870 /nfs/dbraw/zinc/27/88/70/887278870.db2.gz PTZLROSOSRNSMT-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cnn(C)c1N ZINC001366258086 887279063 /nfs/dbraw/zinc/27/90/63/887279063.db2.gz FFTCYAVPICNYAO-HTQZYQBOSA-N 0 3 282.348 -1.155 20 0 CAADHN C[C@@H](CNC(=O)CS(C)(=O)=O)N[C@@H]1CCNC1=O ZINC001366255429 887280068 /nfs/dbraw/zinc/28/00/68/887280068.db2.gz FDEOAJHMPPLTCZ-JGVFFNPUSA-N 0 3 277.346 -1.986 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001366254428 887280236 /nfs/dbraw/zinc/28/02/36/887280236.db2.gz CMJIXFKCSOOHQQ-LURJTMIESA-N 0 3 283.288 -1.114 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)[C@H]2CCC(=O)N2)n[nH]1 ZINC001366259033 887281339 /nfs/dbraw/zinc/28/13/39/887281339.db2.gz MEWLJADHBIIILO-VXNVDRBHSA-N 0 3 280.332 -1.014 20 0 CAADHN Cc1cnn(CC(=O)NC[C@@H](C)NCC(=O)NC(N)=O)c1 ZINC001366261704 887281923 /nfs/dbraw/zinc/28/19/23/887281923.db2.gz OCGSSYPQQIWJRT-SECBINFHSA-N 0 3 296.331 -1.519 20 0 CAADHN C[C@H](CNC(=O)c1cncnc1)N[C@@H](C)C(=O)NC(N)=O ZINC001366262625 887282146 /nfs/dbraw/zinc/28/21/46/887282146.db2.gz PRIKGTPITJFOBQ-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001366253862 887282372 /nfs/dbraw/zinc/28/23/72/887282372.db2.gz BJKQKAORNIWMLX-VHSXEESVSA-N 0 3 284.360 -1.116 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001366300665 887284421 /nfs/dbraw/zinc/28/44/21/887284421.db2.gz QXKGPJJWZOTFSQ-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001366300673 887284001 /nfs/dbraw/zinc/28/40/01/887284001.db2.gz QXKGPJJWZOTFSQ-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001366286259 887284027 /nfs/dbraw/zinc/28/40/27/887284027.db2.gz IBDYLOFNPCVEJQ-DTWKUNHWSA-N 0 3 295.343 -1.377 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(=O)N(C)C ZINC001366284607 887284077 /nfs/dbraw/zinc/28/40/77/887284077.db2.gz RLRPXKPVSDMVJU-ZJUUUORDSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1=O)N[C@@H]1CCNC1=O ZINC001366280669 887284260 /nfs/dbraw/zinc/28/42/60/887284260.db2.gz KCJRTGCTLDHVEX-VHSXEESVSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)NCC(N)=O ZINC001366286815 887284623 /nfs/dbraw/zinc/28/46/23/887284623.db2.gz PXWBCAHRTHSUOP-MRVPVSSYSA-N 0 3 297.315 -2.873 20 0 CAADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)N[C@@H]1CCNC1=O ZINC001366285485 887285015 /nfs/dbraw/zinc/28/50/15/887285015.db2.gz XLNZEYWZBHJEHZ-RKDXNWHRSA-N 0 3 293.327 -1.128 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCCC1=O)N[C@H]1CCNC1=O ZINC001366294279 887285335 /nfs/dbraw/zinc/28/53/35/887285335.db2.gz FWFVQNPBSJBAJH-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001366283908 887285734 /nfs/dbraw/zinc/28/57/34/887285734.db2.gz SWJGYQOKEULPSW-SECBINFHSA-N 0 3 286.332 -2.315 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(=O)N(C)C ZINC001366284602 887285839 /nfs/dbraw/zinc/28/58/39/887285839.db2.gz RLRPXKPVSDMVJU-UWVGGRQHSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1n[nH]cc1C ZINC001366277650 887286284 /nfs/dbraw/zinc/28/62/84/887286284.db2.gz RRQGUDLLAVNRNP-QMMMGPOBSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)N[C@H]1CCNC1=O ZINC001366277541 887286422 /nfs/dbraw/zinc/28/64/22/887286422.db2.gz RAIZNKDUSHMUIK-ONGXEEELSA-N 0 3 279.344 -1.055 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)c1nccnc1N ZINC001366272085 887287312 /nfs/dbraw/zinc/28/73/12/887287312.db2.gz RXXOIJJDTGDTNZ-MRVPVSSYSA-N 0 3 280.332 -1.097 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)NCC(=O)N1CCCC1 ZINC001366274111 887286652 /nfs/dbraw/zinc/28/66/52/887286652.db2.gz LAONZBHCRSXSSH-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001366287024 887286722 /nfs/dbraw/zinc/28/67/22/887286722.db2.gz VZUPITWCQQFVCV-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)NCC(=O)NC1CC1 ZINC001366275730 887286827 /nfs/dbraw/zinc/28/68/27/887286827.db2.gz IHMDQUUMZOOEAJ-RKDXNWHRSA-N 0 3 299.375 -1.194 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC1CC1 ZINC001366289785 887287150 /nfs/dbraw/zinc/28/71/50/887287150.db2.gz WJYQKJZOYNZIIN-DTWKUNHWSA-N 0 3 299.375 -1.323 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](C)NCC(=O)NC2CC2)C1 ZINC001366274189 887287363 /nfs/dbraw/zinc/28/73/63/887287363.db2.gz JBBKUODFYHUHMG-VIFPVBQESA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN(C)C(=O)COC ZINC001366280360 887287456 /nfs/dbraw/zinc/28/74/56/887287456.db2.gz JLJUQNCHKPVKMR-SECBINFHSA-N 0 3 288.348 -2.069 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)NCC(=O)N1CCCC1 ZINC001366274113 887287580 /nfs/dbraw/zinc/28/75/80/887287580.db2.gz LAONZBHCRSXSSH-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(=O)N1CCC1 ZINC001366282618 887287612 /nfs/dbraw/zinc/28/76/12/887287612.db2.gz OFSCVNXNNFVIHM-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001366320906 887288368 /nfs/dbraw/zinc/28/83/68/887288368.db2.gz YYJQUKPJOPJMDS-BDAKNGLRSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)NCC(N)=O ZINC001366336555 887288452 /nfs/dbraw/zinc/28/84/52/887288452.db2.gz JZIMGUPKVGGVNK-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+]CC(=O)N1CCC1 ZINC001366348133 887288579 /nfs/dbraw/zinc/28/85/79/887288579.db2.gz SGRIQKWQNMBNPV-SECBINFHSA-N 0 3 280.332 -1.326 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001366313159 887289552 /nfs/dbraw/zinc/28/95/52/887289552.db2.gz AZLHUNWXUXUAAP-QMMMGPOBSA-N 0 3 283.336 -1.557 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@H](C)NC/C=C/Cl ZINC001366304562 887289900 /nfs/dbraw/zinc/28/99/00/887289900.db2.gz KMTXKTSZKAZGHO-RTMURIBGSA-N 0 3 298.796 -1.113 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC ZINC001366314206 887289967 /nfs/dbraw/zinc/28/99/67/887289967.db2.gz WWZLLGMJHCXORF-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCCN1C(N)=O)NCC(N)=O ZINC001366349631 887291498 /nfs/dbraw/zinc/29/14/98/887291498.db2.gz WWFHNZSZQPLRLV-RKDXNWHRSA-N 0 3 285.348 -1.501 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ccc(=O)n(C)c1)C(N)=O ZINC001366304844 887291707 /nfs/dbraw/zinc/29/17/07/887291707.db2.gz QTRHUWURCSHNFF-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CNC(=O)Cc1cnc[nH]1)NCc1nnnn1C ZINC001366350892 887292206 /nfs/dbraw/zinc/29/22/06/887292206.db2.gz QWXCJXANSJMQJN-MRVPVSSYSA-N 0 3 278.320 -1.230 20 0 CAADHN C[C@H](CNC(=O)[C@@H](C)CC(N)=O)NCC(=O)N1CCC1 ZINC001366313799 887292433 /nfs/dbraw/zinc/29/24/33/887292433.db2.gz WWFNSMUDYXZRFU-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)c1cnc2c(c1)nnn2C)NCC(N)=O ZINC001366316548 887292473 /nfs/dbraw/zinc/29/24/73/887292473.db2.gz RIJBYFAUQNWZKZ-SSDOTTSWSA-N 0 3 291.315 -1.444 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NC[C@H](C)NCC(N)=O ZINC001366356787 887293252 /nfs/dbraw/zinc/29/32/52/887293252.db2.gz CIFUDYRMFHMROR-JGVFFNPUSA-N 0 3 273.337 -1.597 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001366379283 887293396 /nfs/dbraw/zinc/29/33/96/887293396.db2.gz OEIZFYURHKGHLO-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001366375459 887293467 /nfs/dbraw/zinc/29/34/67/887293467.db2.gz STCRPRHIPXTYEU-IUCAKERBSA-N 0 3 284.316 -1.592 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CS(=O)(=O)CC)C(N)=O ZINC001366364269 887293536 /nfs/dbraw/zinc/29/35/36/887293536.db2.gz IDMSEUNPVGQBLX-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[n-]1 ZINC001366360345 887294484 /nfs/dbraw/zinc/29/44/84/887294484.db2.gz UKDKQXOWLJCBLA-ZJUUUORDSA-N 0 3 296.375 -1.346 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[n-]1 ZINC001366360345 887294495 /nfs/dbraw/zinc/29/44/95/887294495.db2.gz UKDKQXOWLJCBLA-ZJUUUORDSA-N 0 3 296.375 -1.346 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001366383058 887294614 /nfs/dbraw/zinc/29/46/14/887294614.db2.gz RKFQMTCFYJAELQ-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](CNC(=O)COC[C@H]1CCCO1)NCC(N)=O ZINC001366362563 887294881 /nfs/dbraw/zinc/29/48/81/887294881.db2.gz DPDLILBNZJGYAD-NXEZZACHSA-N 0 3 273.333 -1.238 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)CN(C)C(C)=O)C1)C(N)=O ZINC001366375865 887294917 /nfs/dbraw/zinc/29/49/17/887294917.db2.gz VEUKQXOCGHXVNG-QWRGUYRKSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2nnn(C)n2)C1)C(=O)N(C)C ZINC001366383496 887295970 /nfs/dbraw/zinc/29/59/70/887295970.db2.gz AQBKUEFVQUTWOS-BDAKNGLRSA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cc[nH]n2)C1)C(=O)NC(N)=O ZINC001366374731 887296078 /nfs/dbraw/zinc/29/60/78/887296078.db2.gz NOQJWKHVSJEJQU-SFYZADRCSA-N 0 3 294.315 -1.203 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)Cn2cncn2)n[nH]1 ZINC001366370174 887296201 /nfs/dbraw/zinc/29/62/01/887296201.db2.gz OWRFJTAJYLCWSH-QMMMGPOBSA-N 0 3 278.320 -1.001 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 ZINC001366391923 887296463 /nfs/dbraw/zinc/29/64/63/887296463.db2.gz VBFTULLQUUOKJZ-WDEREUQCSA-N 0 3 285.344 -1.142 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001366385553 887296560 /nfs/dbraw/zinc/29/65/60/887296560.db2.gz ITKNZEMADJEWEP-JTQLQIEISA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CS(=O)(=O)CC)C(N)=O ZINC001366364292 887296681 /nfs/dbraw/zinc/29/66/81/887296681.db2.gz IDMSEUNPVGQBLX-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001366374003 887297306 /nfs/dbraw/zinc/29/73/06/887297306.db2.gz GLAROYBWCIXXMW-SCZZXKLOSA-N 0 3 270.333 -1.553 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)CCNC(N)=O)C1)C(N)=O ZINC001366387682 887297976 /nfs/dbraw/zinc/29/79/76/887297976.db2.gz IKUXLYMUKSUZHY-DTWKUNHWSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)NCC(=O)NCCN(C)C[C@@H](O)COC ZINC001366539583 887311058 /nfs/dbraw/zinc/31/10/58/887311058.db2.gz VQTOYVUMYIEJAE-SECBINFHSA-N 0 3 276.337 -2.029 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001366518114 887306053 /nfs/dbraw/zinc/30/60/53/887306053.db2.gz BNHPCVBLUAYRSU-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1cc2n(n1)CCO2 ZINC001366536220 887310673 /nfs/dbraw/zinc/31/06/73/887310673.db2.gz UJUOEKSKWLKORX-JTQLQIEISA-N 0 3 298.343 -1.056 20 0 CAADHN CNC(=O)NCC(=O)NCCN(C)C[C@H](O)COC ZINC001366539597 887310935 /nfs/dbraw/zinc/31/09/35/887310935.db2.gz VQTOYVUMYIEJAE-VIFPVBQESA-N 0 3 276.337 -2.029 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001366537192 887312027 /nfs/dbraw/zinc/31/20/27/887312027.db2.gz ZHJYJXJMJANAON-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)CN1CCNC(=O)C1 ZINC001366561977 887315017 /nfs/dbraw/zinc/31/50/17/887315017.db2.gz XKFYXBUJMGGODA-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN Cc1cn2nc(C(=O)NCCN(C)CCO)cc2c(=O)[nH]1 ZINC001366555000 887316519 /nfs/dbraw/zinc/31/65/19/887316519.db2.gz RQMHDHQBMQXLCS-UHFFFAOYSA-N 0 3 293.327 -1.015 20 0 CAADHN CCn1cc(C(=O)NCCN(C)C[C@H](O)COC)nn1 ZINC001366580629 887317366 /nfs/dbraw/zinc/31/73/66/887317366.db2.gz WAXXVJOQQPRCKZ-JTQLQIEISA-N 0 3 285.348 -1.033 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001366560781 887318192 /nfs/dbraw/zinc/31/81/92/887318192.db2.gz PXHGNIHQXVYGBR-NXEZZACHSA-N 0 3 288.348 -1.935 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001366560788 887318220 /nfs/dbraw/zinc/31/82/20/887318220.db2.gz PXHGNIHQXVYGBR-ZJUUUORDSA-N 0 3 288.348 -1.935 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001366597274 887319914 /nfs/dbraw/zinc/31/99/14/887319914.db2.gz ZATFRVMCMMTWKH-UWVGGRQHSA-N 0 3 272.349 -1.042 20 0 CAADHN CCN(CCNC(=O)Cn1nc(C)n(C)c1=O)CCOC ZINC001366644130 887320828 /nfs/dbraw/zinc/32/08/28/887320828.db2.gz GCXWPHLTFXCRDM-UHFFFAOYSA-N 0 3 299.375 -1.025 20 0 CAADHN CCN(CCNC(=O)Cc1nnc[nH]1)[C@H]1CCNC1=O ZINC001366640517 887324544 /nfs/dbraw/zinc/32/45/44/887324544.db2.gz YAURGGUPWBXLEY-VIFPVBQESA-N 0 3 280.332 -1.326 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)Cn2cncn2)C1 ZINC001366709517 887329887 /nfs/dbraw/zinc/32/98/87/887329887.db2.gz GHUFOBSQIDQDQP-MNOVXSKESA-N 0 3 294.359 -1.020 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC(=O)N1C ZINC001366778421 887332467 /nfs/dbraw/zinc/33/24/67/887332467.db2.gz PQUFEZKXZGXOAH-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)NC(N)=O ZINC001366778396 887332577 /nfs/dbraw/zinc/33/25/77/887332577.db2.gz PGCUMPXSODPFGW-IMSYWVGJSA-N 0 3 298.343 -1.490 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)CCCC(N)=O ZINC001366773219 887332658 /nfs/dbraw/zinc/33/26/58/887332658.db2.gz GCGNRXJXSZULFX-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN COC[C@H](O)CN(CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001366745276 887333631 /nfs/dbraw/zinc/33/36/31/887333631.db2.gz MZVDRTDFTIHPEL-SNVBAGLBSA-N 0 3 298.347 -1.588 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CN(C)CCO1)C(N)=O ZINC001366766145 887333815 /nfs/dbraw/zinc/33/38/15/887333815.db2.gz VNCBEGPPCNSZDL-ZJUUUORDSA-N 0 3 272.349 -1.761 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)c1cn(C)nn1 ZINC001366767888 887333843 /nfs/dbraw/zinc/33/38/43/887333843.db2.gz GTTPZIVTHSSMDP-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)NC1CC1 ZINC001366773906 887334081 /nfs/dbraw/zinc/33/40/81/887334081.db2.gz CGAKNBYFAZZJMP-ONGXEEELSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001366758728 887334545 /nfs/dbraw/zinc/33/45/45/887334545.db2.gz DRLXWJXNBRQAGE-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN CCN1C[C@H](C(=O)N(C)CCN[C@H](C)C(N)=O)CC1=O ZINC001366769962 887334807 /nfs/dbraw/zinc/33/48/07/887334807.db2.gz MMJOEASZFLSKEY-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001366778437 887334907 /nfs/dbraw/zinc/33/49/07/887334907.db2.gz PQUFEZKXZGXOAH-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001366774944 887335168 /nfs/dbraw/zinc/33/51/68/887335168.db2.gz YCDBZBNVZUXJPO-VIFPVBQESA-N 0 3 281.320 -2.048 20 0 CAADHN CCN1C[C@H](C(=O)N(C)CCN[C@H]2CCNC2=O)CC1=O ZINC001366773807 887335808 /nfs/dbraw/zinc/33/58/08/887335808.db2.gz VBQWATGBQIWHTQ-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)CCCC(N)=O ZINC001366773227 887337347 /nfs/dbraw/zinc/33/73/47/887337347.db2.gz GCGNRXJXSZULFX-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001366776744 887337568 /nfs/dbraw/zinc/33/75/68/887337568.db2.gz PVUJGAKAFXNSPU-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)NC(N)=O ZINC001366778384 887337628 /nfs/dbraw/zinc/33/76/28/887337628.db2.gz PGCUMPXSODPFGW-AXTSPUMRSA-N 0 3 298.343 -1.490 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)CNC(=O)NC)C1=O ZINC001366764357 887337651 /nfs/dbraw/zinc/33/76/51/887337651.db2.gz BLTXXYBSWCXJPQ-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@]1(C)CCNC(=O)C1)C(N)=O ZINC001366838947 887339161 /nfs/dbraw/zinc/33/91/61/887339161.db2.gz ZFPIXQSAFWKWFX-ZANVPECISA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001366883540 887339366 /nfs/dbraw/zinc/33/93/66/887339366.db2.gz HFHBVPXFCUEQKT-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@]1(C)CCNC(=O)C1)C(N)=O ZINC001366838937 887340291 /nfs/dbraw/zinc/34/02/91/887340291.db2.gz ZFPIXQSAFWKWFX-TVQRCGJNSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)CCNC(N)=O)C1 ZINC001366858199 887340548 /nfs/dbraw/zinc/34/05/48/887340548.db2.gz RVMNPVIYZHCEAC-UWVGGRQHSA-N 0 3 299.375 -1.253 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001366835036 887341030 /nfs/dbraw/zinc/34/10/30/887341030.db2.gz VIRTYCLJVBNPPL-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)CCNC(N)=O)C1 ZINC001366858200 887341840 /nfs/dbraw/zinc/34/18/40/887341840.db2.gz RVMNPVIYZHCEAC-VHSXEESVSA-N 0 3 299.375 -1.253 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001366835032 887342553 /nfs/dbraw/zinc/34/25/53/887342553.db2.gz VIRTYCLJVBNPPL-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)Cc2nnc(C)o2)C1 ZINC001366965850 887350085 /nfs/dbraw/zinc/35/00/85/887350085.db2.gz YMIWLOHYSOGODQ-LLVKDONJSA-N 0 3 298.343 -1.024 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)CN(C)C(C)=O)C1 ZINC001366959088 887350372 /nfs/dbraw/zinc/35/03/72/887350372.db2.gz WXHFQZZFWNLFIM-GFCCVEGCSA-N 0 3 287.360 -1.480 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)C2=COCCO2)C1 ZINC001366962050 887350859 /nfs/dbraw/zinc/35/08/59/887350859.db2.gz JQEYTNDYYJKXRC-LLVKDONJSA-N 0 3 286.328 -1.070 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)C2=COCCO2)C1 ZINC001366962125 887351308 /nfs/dbraw/zinc/35/13/08/887351308.db2.gz JQEYTNDYYJKXRC-NSHDSACASA-N 0 3 286.328 -1.070 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001366961806 887351135 /nfs/dbraw/zinc/35/11/35/887351135.db2.gz OYCBNPVIICEXSJ-NWDGAFQWSA-N 0 3 299.371 -1.432 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)Cn2ncnn2)C1 ZINC001366964772 887353536 /nfs/dbraw/zinc/35/35/36/887353536.db2.gz WVRIJPWWJWSUMD-JTQLQIEISA-N 0 3 284.320 -2.272 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001366961799 887353776 /nfs/dbraw/zinc/35/37/76/887353776.db2.gz OYCBNPVIICEXSJ-NEPJUHHUSA-N 0 3 299.371 -1.432 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001367004110 887354766 /nfs/dbraw/zinc/35/47/66/887354766.db2.gz HUJKZOHKXXHLEM-LPEHRKFASA-N 0 3 288.348 -1.759 20 0 CAADHN C[C@H](O)CCCN1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001366975932 887355864 /nfs/dbraw/zinc/35/58/64/887355864.db2.gz LVTPVNUHOVQPTF-ONGXEEELSA-N 0 3 284.360 -1.123 20 0 CAADHN CCN1CC(CNC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001366974727 887356150 /nfs/dbraw/zinc/35/61/50/887356150.db2.gz DQHHDBWNHLDUAD-JTQLQIEISA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)COCc2nncn2C)C1 ZINC001366984728 887357061 /nfs/dbraw/zinc/35/70/61/887357061.db2.gz YHVDRJLLFALEGF-SNVBAGLBSA-N 0 3 297.359 -1.240 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)COCc2nncn2C)C1 ZINC001366984727 887357580 /nfs/dbraw/zinc/35/75/80/887357580.db2.gz YHVDRJLLFALEGF-JTQLQIEISA-N 0 3 297.359 -1.240 20 0 CAADHN C[C@@H](O)CCCN1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001366975925 887358541 /nfs/dbraw/zinc/35/85/41/887358541.db2.gz LVTPVNUHOVQPTF-KOLCDFICSA-N 0 3 284.360 -1.123 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001367030774 887359971 /nfs/dbraw/zinc/35/99/71/887359971.db2.gz PUXOHYSNCSFUBJ-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN Cn1cnn(CCC(=O)N[C@@H]2CCN(CCCO)C2)c1=O ZINC001367031075 887361825 /nfs/dbraw/zinc/36/18/25/887361825.db2.gz MVKBJIDMMVVKKZ-LLVKDONJSA-N 0 3 297.359 -1.455 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)NCC(N)=O ZINC001367107342 887364689 /nfs/dbraw/zinc/36/46/89/887364689.db2.gz IIACFYUNWHJAON-JGVFFNPUSA-N 0 3 279.362 -1.611 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NC(C)C ZINC001367120304 887364742 /nfs/dbraw/zinc/36/47/42/887364742.db2.gz HLYWBKUCQVBJQH-NXEZZACHSA-N 0 3 299.375 -1.323 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001367063628 887364785 /nfs/dbraw/zinc/36/47/85/887364785.db2.gz MTAJLEAAHORKKY-TUAOUCFPSA-N 0 3 299.371 -1.195 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)NCC(N)=O ZINC001367117886 887364951 /nfs/dbraw/zinc/36/49/51/887364951.db2.gz VHANGTYPUNOKBF-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN CN(C(=O)CCn1ncn(C)c1=O)[C@@H]1CCN(CCO)C1 ZINC001367048753 887364983 /nfs/dbraw/zinc/36/49/83/887364983.db2.gz GMTBQCBSOQLKBZ-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CN(C)CCO1)NCC(=O)NC ZINC001367086862 887365433 /nfs/dbraw/zinc/36/54/33/887365433.db2.gz GTGWQZXXMWUFHJ-WDEREUQCSA-N 0 3 286.376 -1.453 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NC(C)C ZINC001367120309 887365536 /nfs/dbraw/zinc/36/55/36/887365536.db2.gz HLYWBKUCQVBJQH-VHSXEESVSA-N 0 3 299.375 -1.323 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N1CCC1 ZINC001367124489 887366292 /nfs/dbraw/zinc/36/62/92/887366292.db2.gz IIJZOZOZSIDIMW-AXFHLTTASA-N 0 3 296.371 -1.176 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)N[C@@H]1CCNC1=O ZINC001367097892 887366472 /nfs/dbraw/zinc/36/64/72/887366472.db2.gz ARIPQFOYBIAWAY-DTWKUNHWSA-N 0 3 285.348 -1.712 20 0 CAADHN CC[C@H](CNC(=O)CCOC)NCC(=O)NC(=O)NC ZINC001367076820 887366684 /nfs/dbraw/zinc/36/66/84/887366684.db2.gz XXMAVZDYOBNHOB-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)NCC(=O)N1CCC1 ZINC001367100296 887366698 /nfs/dbraw/zinc/36/66/98/887366698.db2.gz FZWNVZYRBJJROQ-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001367056282 887367189 /nfs/dbraw/zinc/36/71/89/887367189.db2.gz WDEATJLUUPGQDG-VHSXEESVSA-N 0 3 283.332 -1.042 20 0 CAADHN CC[C@H](CNC(=O)CO[C@@H]1CCOC1)NCC(N)=O ZINC001367098494 887367438 /nfs/dbraw/zinc/36/74/38/887367438.db2.gz FUCBIWJYLPZYGU-NXEZZACHSA-N 0 3 273.333 -1.238 20 0 CAADHN CC[C@@H](CNC(=O)CO[C@H]1CCOC1)NCC(N)=O ZINC001367098499 887367526 /nfs/dbraw/zinc/36/75/26/887367526.db2.gz FUCBIWJYLPZYGU-UWVGGRQHSA-N 0 3 273.333 -1.238 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCOCC1)N[C@H]1CCNC1=O ZINC001367106975 887367686 /nfs/dbraw/zinc/36/76/86/887367686.db2.gz XLZSFLZCROKMGW-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)NCC(N)=O ZINC001367107341 887367785 /nfs/dbraw/zinc/36/77/85/887367785.db2.gz IIACFYUNWHJAON-HTQZYQBOSA-N 0 3 279.362 -1.611 20 0 CAADHN CC[C@H](CNC(=O)CN1CCOCC1)N[C@H]1CCNC1=O ZINC001367106954 887367810 /nfs/dbraw/zinc/36/78/10/887367810.db2.gz XLZSFLZCROKMGW-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)NCC(=O)NC ZINC001367086746 887367851 /nfs/dbraw/zinc/36/78/51/887367851.db2.gz GTGWQZXXMWUFHJ-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN CC[C@H](CNC(=O)CN1CCN(C)C(=O)C1)NCC(N)=O ZINC001367110279 887368124 /nfs/dbraw/zinc/36/81/24/887368124.db2.gz PDXRKRWBVCXKDT-SNVBAGLBSA-N 0 3 299.375 -2.270 20 0 CAADHN CC[C@H](CNC(=O)c1cnn(C)c1N)N[C@@H]1CCNC1=O ZINC001367095551 887368266 /nfs/dbraw/zinc/36/82/66/887368266.db2.gz DZCUDOPJKRRWPX-PSASIEDQSA-N 0 3 294.359 -1.011 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)N[C@H]1CCNC1=O ZINC001367097889 887368405 /nfs/dbraw/zinc/36/84/05/887368405.db2.gz ARIPQFOYBIAWAY-BDAKNGLRSA-N 0 3 285.348 -1.712 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)NCC(F)(F)F ZINC001367559140 887384036 /nfs/dbraw/zinc/38/40/36/887384036.db2.gz FNEZHZKBXUALOV-SSDOTTSWSA-N 0 3 271.239 -1.249 20 0 CAADHN CO[C@@H](C)C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001367344900 887375230 /nfs/dbraw/zinc/37/52/30/887375230.db2.gz LPTWGMDKWRLFAS-YUMQZZPRSA-N 0 3 274.321 -1.347 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@@H](C)CN[C@@H](C)C(N)=O)[nH]1 ZINC001367338890 887375615 /nfs/dbraw/zinc/37/56/15/887375615.db2.gz CVXZLFJJQIENCB-YUMQZZPRSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)Cn1ncnn1)C(=O)N(C)C ZINC001367349427 887375713 /nfs/dbraw/zinc/37/57/13/887375713.db2.gz IIXMGZDZWKOWDK-VHSXEESVSA-N 0 3 297.363 -1.414 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@H](C)CN[C@H]2CCNC2=O)[nH]1 ZINC001367343637 887375765 /nfs/dbraw/zinc/37/57/65/887375765.db2.gz MNXXQMHIOSOIGG-SCZZXKLOSA-N 0 3 294.359 -1.019 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CS(C)(=O)=O ZINC001367353447 887375796 /nfs/dbraw/zinc/37/57/96/887375796.db2.gz VVUWBMBEABLJOK-IUCAKERBSA-N 0 3 293.389 -1.398 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CS(C)(=O)=O ZINC001367353443 887375878 /nfs/dbraw/zinc/37/58/78/887375878.db2.gz VVUWBMBEABLJOK-DTWKUNHWSA-N 0 3 293.389 -1.398 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CCn1cncn1 ZINC001367336679 887376077 /nfs/dbraw/zinc/37/60/77/887376077.db2.gz PGEGYWFSVHXGOO-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN NC(=O)CNC1(CNC(=O)CN2CCOCC2)CCCC1 ZINC001367314221 887376240 /nfs/dbraw/zinc/37/62/40/887376240.db2.gz GDMJKQCXXQKMSS-UHFFFAOYSA-N 0 3 298.387 -1.178 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H](C)NC(N)=O ZINC001367347931 887376428 /nfs/dbraw/zinc/37/64/28/887376428.db2.gz YUSGXYFGKGVRAI-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CCn1cncn1 ZINC001367336678 887376471 /nfs/dbraw/zinc/37/64/71/887376471.db2.gz PGEGYWFSVHXGOO-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN Cc1nc(CNC[C@H](C)N(C)C(=O)Cn2cnnn2)n[nH]1 ZINC001367338583 887376613 /nfs/dbraw/zinc/37/66/13/887376613.db2.gz AGKWQAIZSDUKEE-QMMMGPOBSA-N 0 3 293.335 -1.264 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@H](C)CN[C@@H](C)C(N)=O)[nH]1 ZINC001367338888 887377113 /nfs/dbraw/zinc/37/71/13/887377113.db2.gz CVXZLFJJQIENCB-SFYZADRCSA-N 0 3 282.348 -1.034 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@H](C)CN[C@@H]2CCNC2=O)[nH]1 ZINC001367343635 887377909 /nfs/dbraw/zinc/37/79/09/887377909.db2.gz MNXXQMHIOSOIGG-PSASIEDQSA-N 0 3 294.359 -1.019 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001367338641 887378103 /nfs/dbraw/zinc/37/81/03/887378103.db2.gz BHSJENZXWOSWJY-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@@H](C)CN[C@H](C)C(N)=O)[nH]1 ZINC001367338884 887378263 /nfs/dbraw/zinc/37/82/63/887378263.db2.gz CVXZLFJJQIENCB-JGVFFNPUSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)Cn1ncnn1 ZINC001367349423 887378454 /nfs/dbraw/zinc/37/84/54/887378454.db2.gz IIXMGZDZWKOWDK-UWVGGRQHSA-N 0 3 297.363 -1.414 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@H](C)CN[C@@H]1CCNC1=O ZINC001367356029 887379721 /nfs/dbraw/zinc/37/97/21/887379721.db2.gz JIXJPNMMXDQYBS-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CNC(=O)OC)C(C)C ZINC001367466137 887379746 /nfs/dbraw/zinc/37/97/46/887379746.db2.gz NKZJNHNRYPBQMI-VIFPVBQESA-N 0 3 288.348 -1.181 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)[C@@H](C)CNCC(=O)NC ZINC001367413617 887379941 /nfs/dbraw/zinc/37/99/41/887379941.db2.gz MAJWBGYOTAYCJO-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CS(C)(=O)=O ZINC001367353461 887380083 /nfs/dbraw/zinc/38/00/83/887380083.db2.gz VVUWBMBEABLJOK-RKDXNWHRSA-N 0 3 293.389 -1.398 20 0 CAADHN CC(C)[C@H](CNC(=O)CCc1cnn(C)n1)NCC(N)=O ZINC001367479019 887380199 /nfs/dbraw/zinc/38/01/99/887380199.db2.gz IKRLRAKLGNCTGN-NSHDSACASA-N 0 3 296.375 -1.037 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CN1CCCNC1=O ZINC001367362217 887380252 /nfs/dbraw/zinc/38/02/52/887380252.db2.gz JJJIUCQNEBGWOB-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)[C@H](C)CNCC(=O)NC ZINC001367413614 887380815 /nfs/dbraw/zinc/38/08/15/887380815.db2.gz MAJWBGYOTAYCJO-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@@H](C)CNCC(=O)NC ZINC001367356450 887381173 /nfs/dbraw/zinc/38/11/73/887381173.db2.gz KTFPCKHBQYSXBC-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CC(C)[C@H](CNC(=O)C1CS(=O)(=O)C1)NCC(N)=O ZINC001367474784 887381540 /nfs/dbraw/zinc/38/15/40/887381540.db2.gz OHCBCIZDNZOYPL-VIFPVBQESA-N 0 3 291.373 -1.753 20 0 CAADHN CNC(=O)CNC[C@H](CC(C)C)NC(=O)c1nnn(C)n1 ZINC001367411922 887381753 /nfs/dbraw/zinc/38/17/53/887381753.db2.gz IUOVNVCDDVRXOT-VIFPVBQESA-N 0 3 297.363 -1.310 20 0 CAADHN CC(C)[C@@H](CNC(=O)C1CS(=O)(=O)C1)NCC(N)=O ZINC001367474781 887381799 /nfs/dbraw/zinc/38/17/99/887381799.db2.gz OHCBCIZDNZOYPL-SECBINFHSA-N 0 3 291.373 -1.753 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CCn1cnnn1 ZINC001367399146 887381900 /nfs/dbraw/zinc/38/19/00/887381900.db2.gz RLHMBNGJROPXKQ-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN CC(C)[C@H](CNC(=O)CCn1cncn1)NCC(N)=O ZINC001367461313 887381958 /nfs/dbraw/zinc/38/19/58/887381958.db2.gz QSFYGVXPYDBZBF-JTQLQIEISA-N 0 3 282.348 -1.116 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CCn1cnnn1 ZINC001367399140 887382274 /nfs/dbraw/zinc/38/22/74/887382274.db2.gz RLHMBNGJROPXKQ-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CCCC(N)=O ZINC001367404636 887382468 /nfs/dbraw/zinc/38/24/68/887382468.db2.gz GBKWTGNOEWJAGI-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CNC(=O)OC)C(C)C ZINC001367466135 887382494 /nfs/dbraw/zinc/38/24/94/887382494.db2.gz NKZJNHNRYPBQMI-SECBINFHSA-N 0 3 288.348 -1.181 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CCNC1=O ZINC001367357702 887382941 /nfs/dbraw/zinc/38/29/41/887382941.db2.gz KFEJGEIDPNKMMK-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001367357699 887382992 /nfs/dbraw/zinc/38/29/92/887382992.db2.gz KFEJGEIDPNKMMK-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)COC ZINC001367596220 887405748 /nfs/dbraw/zinc/40/57/48/887405748.db2.gz BGRBGEUPCOSAES-SECBINFHSA-N 0 3 275.349 -1.528 20 0 CAADHN CN(CCCO)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001367554280 887386534 /nfs/dbraw/zinc/38/65/34/887386534.db2.gz XGJITVAYLWTSIC-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN CN(CCCO)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001367554282 887386406 /nfs/dbraw/zinc/38/64/06/887386406.db2.gz XGJITVAYLWTSIC-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)c1cnn(C)n1 ZINC001367542787 887387176 /nfs/dbraw/zinc/38/71/76/887387176.db2.gz SCAZXJXAGVTDQS-JTQLQIEISA-N 0 3 285.348 -1.174 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CC[C@@H]1CCCO1 ZINC001367568980 887389171 /nfs/dbraw/zinc/38/91/71/887389171.db2.gz PFJMRUKWOGQZDW-UWVGGRQHSA-N 0 3 273.333 -1.502 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cncnc1C ZINC001367564271 887389336 /nfs/dbraw/zinc/38/93/36/887389336.db2.gz GPMXRZUMVUOKLK-ZJUUUORDSA-N 0 3 295.343 -1.400 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CC[C@@H]1CCCO1 ZINC001367568983 887389399 /nfs/dbraw/zinc/38/93/99/887389399.db2.gz PFJMRUKWOGQZDW-ZJUUUORDSA-N 0 3 273.333 -1.502 20 0 CAADHN Cc1nnsc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001367561261 887390140 /nfs/dbraw/zinc/39/01/40/887390140.db2.gz AOCKIRYRKZNGFL-JGVFFNPUSA-N 0 3 299.356 -1.585 20 0 CAADHN Cc1noc(C)c1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001367564603 887390275 /nfs/dbraw/zinc/39/02/75/887390275.db2.gz ITVUERALIPGYER-QMMMGPOBSA-N 0 3 270.289 -1.543 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cc(C)no1 ZINC001367561441 887390336 /nfs/dbraw/zinc/39/03/36/887390336.db2.gz AUOSABMZLXWALI-VIFPVBQESA-N 0 3 284.316 -1.201 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)COCC2CC2)C1=O ZINC001367565436 887390445 /nfs/dbraw/zinc/39/04/45/887390445.db2.gz IUNAJCMFFWRPMK-NWDGAFQWSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C(C)C ZINC001367567621 887390463 /nfs/dbraw/zinc/39/04/63/887390463.db2.gz GPHLJWMFUGTTOC-DTWKUNHWSA-N 0 3 288.348 -1.447 20 0 CAADHN Cc1noc(C)c1C(=O)NC[C@H](O)CNCC(N)=O ZINC001367564598 887390479 /nfs/dbraw/zinc/39/04/79/887390479.db2.gz ITVUERALIPGYER-MRVPVSSYSA-N 0 3 270.289 -1.543 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccon1 ZINC001367565777 887390837 /nfs/dbraw/zinc/39/08/37/887390837.db2.gz JDQNWUDCYYLLRI-SFYZADRCSA-N 0 3 270.289 -1.511 20 0 CAADHN CCO[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001367568880 887390858 /nfs/dbraw/zinc/39/08/58/887390858.db2.gz OZACSVVYIIOCAL-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN Cn1cccc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001367564864 887391306 /nfs/dbraw/zinc/39/13/06/887391306.db2.gz BQLJUMYNVCCVAL-UWVGGRQHSA-N 0 3 280.328 -1.406 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001367565484 887391597 /nfs/dbraw/zinc/39/15/97/887391597.db2.gz NPGKHUWVDUMSCM-VIFPVBQESA-N 0 3 284.320 -2.184 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccncc1 ZINC001367563123 887392230 /nfs/dbraw/zinc/39/22/30/887392230.db2.gz LVULENFWPQOGEQ-QWRGUYRKSA-N 0 3 278.312 -1.350 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccncc1 ZINC001367563121 887392337 /nfs/dbraw/zinc/39/23/37/887392337.db2.gz LVULENFWPQOGEQ-GHMZBOCLSA-N 0 3 278.312 -1.350 20 0 CAADHN Cn1cccc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001367564863 887392476 /nfs/dbraw/zinc/39/24/76/887392476.db2.gz BQLJUMYNVCCVAL-NXEZZACHSA-N 0 3 280.328 -1.406 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C)no1 ZINC001367561405 887392505 /nfs/dbraw/zinc/39/25/05/887392505.db2.gz AUOSABMZLXWALI-SECBINFHSA-N 0 3 284.316 -1.201 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccncc1 ZINC001367563122 887392553 /nfs/dbraw/zinc/39/25/53/887392553.db2.gz LVULENFWPQOGEQ-MNOVXSKESA-N 0 3 278.312 -1.350 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](O)CNC(=O)C(C)C ZINC001367567622 887392731 /nfs/dbraw/zinc/39/27/31/887392731.db2.gz GPHLJWMFUGTTOC-IUCAKERBSA-N 0 3 288.348 -1.447 20 0 CAADHN CCCC(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC(=O)NC ZINC001367560733 887392650 /nfs/dbraw/zinc/39/26/50/887392650.db2.gz BXXPXSLBOQIGAF-BDAKNGLRSA-N 0 3 288.348 -1.303 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ocnc1C ZINC001367576048 887393517 /nfs/dbraw/zinc/39/35/17/887393517.db2.gz ATVOMNLHDNQLBH-BDAKNGLRSA-N 0 3 284.316 -1.202 20 0 CAADHN CCn1nccc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001367572788 887393898 /nfs/dbraw/zinc/39/38/98/887393898.db2.gz HRENGVVYRHDSOM-JTQLQIEISA-N 0 3 297.359 -1.329 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCCCO1 ZINC001367571998 887394105 /nfs/dbraw/zinc/39/41/05/887394105.db2.gz SCQMGUOGOJUERU-ZJUUUORDSA-N 0 3 273.333 -1.502 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)CC(C)(C)O)C1=O ZINC001367578208 887394282 /nfs/dbraw/zinc/39/42/82/887394282.db2.gz HVQBXNCZEUJCJR-NXEZZACHSA-N 0 3 287.360 -1.555 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001367570777 887394823 /nfs/dbraw/zinc/39/48/23/887394823.db2.gz KSOJUALBDVIKQC-VIFPVBQESA-N 0 3 271.321 -1.284 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1=CCOCC1)C(N)=O ZINC001367573839 887394905 /nfs/dbraw/zinc/39/49/05/887394905.db2.gz KWALNWGZJOLWKA-PSASIEDQSA-N 0 3 271.317 -1.726 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cn1cccn1)C(N)=O ZINC001367572712 887394950 /nfs/dbraw/zinc/39/49/50/887394950.db2.gz ZGFZOICLVHWULC-NXEZZACHSA-N 0 3 283.332 -1.786 20 0 CAADHN Cc1nscc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001367571947 887394968 /nfs/dbraw/zinc/39/49/68/887394968.db2.gz FXXLOAYRTWGHSD-ZETCQYMHSA-N 0 3 272.330 -1.383 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1=CCOCC1)C(N)=O ZINC001367573855 887395260 /nfs/dbraw/zinc/39/52/60/887395260.db2.gz KWALNWGZJOLWKA-WPRPVWTQSA-N 0 3 271.317 -1.726 20 0 CAADHN CCC[C@H](C)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001367572607 887395668 /nfs/dbraw/zinc/39/56/68/887395668.db2.gz BEAYMNOTXOVRBM-DTWKUNHWSA-N 0 3 288.348 -1.316 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)CNC(C)=O)C(N)=O ZINC001367570079 887396063 /nfs/dbraw/zinc/39/60/63/887396063.db2.gz WIBAJHYKAHUJMA-BDAKNGLRSA-N 0 3 274.321 -2.547 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)COC(C)(C)C)C(N)=O ZINC001367575995 887396186 /nfs/dbraw/zinc/39/61/86/887396186.db2.gz PEWJTBXRHSZQSR-BDAKNGLRSA-N 0 3 275.349 -1.258 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCCCO1 ZINC001367571994 887397011 /nfs/dbraw/zinc/39/70/11/887397011.db2.gz SCQMGUOGOJUERU-VHSXEESVSA-N 0 3 273.333 -1.502 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCn1cncn1 ZINC001367572249 887397090 /nfs/dbraw/zinc/39/70/90/887397090.db2.gz MOILGDBRSUKINS-VIFPVBQESA-N 0 3 284.320 -2.519 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)[C@@H]2COC(=O)N2)cn1 ZINC001367584678 887397949 /nfs/dbraw/zinc/39/79/49/887397949.db2.gz QFGJNXASKQGKQR-ZJUUUORDSA-N 0 3 297.315 -1.905 20 0 CAADHN COC[C@H](C)C(=O)NC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001367578667 887398073 /nfs/dbraw/zinc/39/80/73/887398073.db2.gz JKQBVRGZLSGEDZ-WPRPVWTQSA-N 0 3 285.348 -1.038 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C)sn1 ZINC001367580078 887398269 /nfs/dbraw/zinc/39/82/69/887398269.db2.gz JUCNXWITOOFNLQ-MRVPVSSYSA-N 0 3 286.357 -1.122 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cn1cc(C)cn1)C(N)=O ZINC001367581117 887398704 /nfs/dbraw/zinc/39/87/04/887398704.db2.gz GVMOJKXLSWWXSK-QWRGUYRKSA-N 0 3 297.359 -1.478 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001367583657 887399022 /nfs/dbraw/zinc/39/90/22/887399022.db2.gz OGCASHPOFWSRJV-BDAKNGLRSA-N 0 3 287.316 -2.248 20 0 CAADHN CC1(C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)CC1 ZINC001367584744 887399114 /nfs/dbraw/zinc/39/91/14/887399114.db2.gz FEBAKSBQEJCELQ-SSDOTTSWSA-N 0 3 272.305 -1.952 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001367582988 887399252 /nfs/dbraw/zinc/39/92/52/887399252.db2.gz DBLMNGZJXYJGCC-MRVPVSSYSA-N 0 3 293.345 -3.156 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001367584617 887399908 /nfs/dbraw/zinc/39/99/08/887399908.db2.gz NNSNGZCMWWNHEQ-QMMMGPOBSA-N 0 3 284.320 -2.416 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnnc(C)c1)C(N)=O ZINC001367581745 887400302 /nfs/dbraw/zinc/40/03/02/887400302.db2.gz MPMWSRNFKAKZOR-MNOVXSKESA-N 0 3 295.343 -1.271 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccnn1C)C(=O)N(C)C ZINC001367580748 887400431 /nfs/dbraw/zinc/40/04/31/887400431.db2.gz GFYTUQWMHOIHAK-NXEZZACHSA-N 0 3 297.359 -1.423 20 0 CAADHN CCc1ncsc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001367584249 887400478 /nfs/dbraw/zinc/40/04/78/887400478.db2.gz QLIZQQISPLBWFM-SSDOTTSWSA-N 0 3 286.357 -1.129 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001367583668 887400496 /nfs/dbraw/zinc/40/04/96/887400496.db2.gz OGCASHPOFWSRJV-IUCAKERBSA-N 0 3 287.316 -2.248 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cn2c(n1)CCCC2 ZINC001367581121 887400628 /nfs/dbraw/zinc/40/06/28/887400628.db2.gz LOWRWQDIAWRWPT-SECBINFHSA-N 0 3 295.343 -1.615 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccnn1C)C(=O)N(C)C ZINC001367580850 887400842 /nfs/dbraw/zinc/40/08/42/887400842.db2.gz GFYTUQWMHOIHAK-UWVGGRQHSA-N 0 3 297.359 -1.423 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)c1 ZINC001367586229 887402031 /nfs/dbraw/zinc/40/20/31/887402031.db2.gz RXRKFAIQUKCNPQ-NXEZZACHSA-N 0 3 295.343 -1.669 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)Cc1ccon1)NC1CC1 ZINC001367586857 887402225 /nfs/dbraw/zinc/40/22/25/887402225.db2.gz PSGLMDGIPTYVSB-LLVKDONJSA-N 0 3 296.327 -1.438 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001367591342 887402437 /nfs/dbraw/zinc/40/24/37/887402437.db2.gz DUVTVXNKFZPVAK-SFYZADRCSA-N 0 3 272.305 -2.935 20 0 CAADHN Cc1ccn(C[C@H](C)C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001367590316 887402519 /nfs/dbraw/zinc/40/25/19/887402519.db2.gz NRRHUSKMPKOGAI-ONGXEEELSA-N 0 3 297.359 -1.620 20 0 CAADHN Cc1cnccc1CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001367588118 887402584 /nfs/dbraw/zinc/40/25/84/887402584.db2.gz ZEPLKJDWXCDTPS-JQWIXIFHSA-N 0 3 294.355 -1.127 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001367591002 887402602 /nfs/dbraw/zinc/40/26/02/887402602.db2.gz YKFMHXDLVAADMS-SECBINFHSA-N 0 3 283.332 -1.385 20 0 CAADHN COC[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001367587239 887402702 /nfs/dbraw/zinc/40/27/02/887402702.db2.gz VBIMOWAPLPLBTP-ZJUUUORDSA-N 0 3 275.349 -1.576 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)[nH]n1 ZINC001367585150 887402773 /nfs/dbraw/zinc/40/27/73/887402773.db2.gz LWIWLUOUYXUOLJ-ZJUUUORDSA-N 0 3 295.343 -1.323 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@H](C)SC ZINC001367590265 887402954 /nfs/dbraw/zinc/40/29/54/887402954.db2.gz YZMZBFSGPMBJPE-DTWKUNHWSA-N 0 3 277.390 -1.059 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001367591329 887403067 /nfs/dbraw/zinc/40/30/67/887403067.db2.gz DUVTVXNKFZPVAK-HTQZYQBOSA-N 0 3 272.305 -2.935 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001367585353 887403171 /nfs/dbraw/zinc/40/31/71/887403171.db2.gz MHVSORZYNDQZLT-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001367588090 887403189 /nfs/dbraw/zinc/40/31/89/887403189.db2.gz XVQAVAQIDVMYJW-JTQLQIEISA-N 0 3 298.347 -2.084 20 0 CAADHN Cc1ccn(C[C@@H](C)C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001367590312 887403257 /nfs/dbraw/zinc/40/32/57/887403257.db2.gz NRRHUSKMPKOGAI-KOLCDFICSA-N 0 3 297.359 -1.620 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@H](C)SC ZINC001367590267 887403316 /nfs/dbraw/zinc/40/33/16/887403316.db2.gz YZMZBFSGPMBJPE-IUCAKERBSA-N 0 3 277.390 -1.059 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)C1=O ZINC001367587642 887403333 /nfs/dbraw/zinc/40/33/33/887403333.db2.gz SERVMLOMAQHJEN-MNOVXSKESA-N 0 3 295.343 -1.750 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ncn(C)n1)C(=O)N(C)C ZINC001367589823 887403471 /nfs/dbraw/zinc/40/34/71/887403471.db2.gz UZWUNIGTIGHWRX-BDAKNGLRSA-N 0 3 298.347 -2.028 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)c1 ZINC001367585026 887403524 /nfs/dbraw/zinc/40/35/24/887403524.db2.gz QVODZXUAJGHCAI-SECBINFHSA-N 0 3 297.315 -2.100 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)c1 ZINC001367585105 887403541 /nfs/dbraw/zinc/40/35/41/887403541.db2.gz QVODZXUAJGHCAI-VIFPVBQESA-N 0 3 297.315 -2.100 20 0 CAADHN CC[C@H](C)CC(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001367586430 887403769 /nfs/dbraw/zinc/40/37/69/887403769.db2.gz UDRJGSHROJDFME-DTWKUNHWSA-N 0 3 288.348 -1.316 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnc2cc[nH]c2c1 ZINC001367591705 887403940 /nfs/dbraw/zinc/40/39/40/887403940.db2.gz CLNARBIKKFHKBL-VIFPVBQESA-N 0 3 291.311 -1.272 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ncoc1C ZINC001367588296 887404284 /nfs/dbraw/zinc/40/42/84/887404284.db2.gz QLTNLOXJLQOXOY-SECBINFHSA-N 0 3 284.316 -1.201 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cncs1 ZINC001367588867 887404116 /nfs/dbraw/zinc/40/41/16/887404116.db2.gz MDVLFAXPMVHVCV-QMMMGPOBSA-N 0 3 286.357 -1.502 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2ncc[nH]2)C1=O ZINC001367590372 887404252 /nfs/dbraw/zinc/40/42/52/887404252.db2.gz WRNKXHZANGDSTH-DTWKUNHWSA-N 0 3 281.316 -1.679 20 0 CAADHN CC[C@@H](C)CC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001367586428 887404360 /nfs/dbraw/zinc/40/43/60/887404360.db2.gz UDRJGSHROJDFME-BDAKNGLRSA-N 0 3 288.348 -1.316 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1cccnc1 ZINC001367584931 887404383 /nfs/dbraw/zinc/40/43/83/887404383.db2.gz QQSGTWLDGFSOQQ-ZYHUDNBSSA-N 0 3 294.355 -1.175 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cncs1)[C@@H]1CNC(=O)N1 ZINC001367602663 887405278 /nfs/dbraw/zinc/40/52/78/887405278.db2.gz QFXTUCYQDSZVSB-CBAPKCEASA-N 0 3 299.356 -1.609 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2cc[nH]c2)C1=O ZINC001367592082 887405309 /nfs/dbraw/zinc/40/53/09/887405309.db2.gz RBDSUIUXVWLNQG-MNOVXSKESA-N 0 3 280.328 -1.074 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnc2n1CCC2 ZINC001367595712 887405366 /nfs/dbraw/zinc/40/53/66/887405366.db2.gz UAXPECIDLYLBMZ-MRVPVSSYSA-N 0 3 281.316 -2.005 20 0 CAADHN Cc1cnc(C(=O)NC[C@H](O)CNCC(N)=O)cc1C ZINC001367597910 887405384 /nfs/dbraw/zinc/40/53/84/887405384.db2.gz GTJNITQAVZBJMQ-SNVBAGLBSA-N 0 3 280.328 -1.136 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccsn1 ZINC001367595308 887405644 /nfs/dbraw/zinc/40/56/44/887405644.db2.gz WSUGDETXLMZMNJ-JGVFFNPUSA-N 0 3 284.341 -1.288 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc2ncccc2o1 ZINC001367600156 887405662 /nfs/dbraw/zinc/40/56/62/887405662.db2.gz LHPXWBIFOXJQFF-MRVPVSSYSA-N 0 3 292.295 -1.007 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnc2n1CCC2)C(N)=O ZINC001367594537 887405926 /nfs/dbraw/zinc/40/59/26/887405926.db2.gz NABFPBQGWZNASP-IUCAKERBSA-N 0 3 295.343 -1.617 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cc[nH]c2)C1=O ZINC001367592081 887406094 /nfs/dbraw/zinc/40/60/94/887406094.db2.gz RBDSUIUXVWLNQG-GHMZBOCLSA-N 0 3 280.328 -1.074 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1nccn1C)C(N)=O ZINC001367597861 887406128 /nfs/dbraw/zinc/40/61/28/887406128.db2.gz GKFLYISBLCDLEU-ZJUUUORDSA-N 0 3 297.359 -1.707 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001367602743 887406310 /nfs/dbraw/zinc/40/63/10/887406310.db2.gz LWZATALJHRNPDN-SECBINFHSA-N 0 3 296.327 -2.188 20 0 CAADHN Cc1nn(C)cc1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001367595992 887406368 /nfs/dbraw/zinc/40/63/68/887406368.db2.gz XAQCIKGVISYCFW-SNVBAGLBSA-N 0 3 283.332 -2.177 20 0 CAADHN CCc1c(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cnn1C ZINC001367601024 887406414 /nfs/dbraw/zinc/40/64/14/887406414.db2.gz DRRMACVIDAJJFI-BDAKNGLRSA-N 0 3 297.359 -1.463 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cncs1 ZINC001367591837 887406556 /nfs/dbraw/zinc/40/65/56/887406556.db2.gz YUZIKIUGLQKSOX-SFYZADRCSA-N 0 3 286.357 -1.042 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1nccn1C)C(N)=O ZINC001367597834 887406774 /nfs/dbraw/zinc/40/67/74/887406774.db2.gz GKFLYISBLCDLEU-NXEZZACHSA-N 0 3 297.359 -1.707 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnc2n1CCC2)C(N)=O ZINC001367594535 887406992 /nfs/dbraw/zinc/40/69/92/887406992.db2.gz NABFPBQGWZNASP-BDAKNGLRSA-N 0 3 295.343 -1.617 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cncs1 ZINC001367591838 887407023 /nfs/dbraw/zinc/40/70/23/887407023.db2.gz YUZIKIUGLQKSOX-YUMQZZPRSA-N 0 3 286.357 -1.042 20 0 CAADHN CC1(CC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)CC1 ZINC001367600875 887407048 /nfs/dbraw/zinc/40/70/48/887407048.db2.gz MZFZLQXVCONSMN-QMMMGPOBSA-N 0 3 286.332 -1.562 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001367603484 887407062 /nfs/dbraw/zinc/40/70/62/887407062.db2.gz QJVMWNXRKZAETE-JTQLQIEISA-N 0 3 296.327 -1.058 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1nccn1C)C(N)=O ZINC001367597854 887407082 /nfs/dbraw/zinc/40/70/82/887407082.db2.gz GKFLYISBLCDLEU-UWVGGRQHSA-N 0 3 297.359 -1.707 20 0 CAADHN Cc1ccncc1CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001367593866 887407107 /nfs/dbraw/zinc/40/71/07/887407107.db2.gz LGYKCMZZLYDYMV-PWSUYJOCSA-N 0 3 294.355 -1.127 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1cnoc1 ZINC001367596719 887407138 /nfs/dbraw/zinc/40/71/38/887407138.db2.gz BABABPQAJCSPLS-SNVBAGLBSA-N 0 3 284.316 -1.580 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)CCC1 ZINC001367596181 887407188 /nfs/dbraw/zinc/40/71/88/887407188.db2.gz AIDRDLWRKORFGF-WDEREUQCSA-N 0 3 299.371 -1.242 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1ccon1 ZINC001367600374 887407229 /nfs/dbraw/zinc/40/72/29/887407229.db2.gz NUSODJVLLGVPIH-JTQLQIEISA-N 0 3 284.316 -1.580 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnc(C)n1C)C(N)=O ZINC001367602683 887407281 /nfs/dbraw/zinc/40/72/81/887407281.db2.gz QGOBCDHAXZIUJY-UWVGGRQHSA-N 0 3 297.359 -1.327 20 0 CAADHN CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001367593005 887407314 /nfs/dbraw/zinc/40/73/14/887407314.db2.gz YUKVNOPZVGZXTN-MRVPVSSYSA-N 0 3 297.315 -2.001 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnc(C)n1C)C(N)=O ZINC001367602681 887407360 /nfs/dbraw/zinc/40/73/60/887407360.db2.gz QGOBCDHAXZIUJY-NXEZZACHSA-N 0 3 297.359 -1.327 20 0 CAADHN CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNCC(N)=O)[nH]n1 ZINC001367600983 887407399 /nfs/dbraw/zinc/40/73/99/887407399.db2.gz DLGOOZXFWLUQLK-QMMMGPOBSA-N 0 3 297.359 -1.127 20 0 CAADHN Cc1ccncc1CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001367593868 887407438 /nfs/dbraw/zinc/40/74/38/887407438.db2.gz LGYKCMZZLYDYMV-ZYHUDNBSSA-N 0 3 294.355 -1.127 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2cc[nH]c2)C1=O ZINC001367592085 887407460 /nfs/dbraw/zinc/40/74/60/887407460.db2.gz RBDSUIUXVWLNQG-WDEREUQCSA-N 0 3 280.328 -1.074 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001367609598 887408397 /nfs/dbraw/zinc/40/83/97/887408397.db2.gz VQQFEZDFKIDPEU-JTQLQIEISA-N 0 3 295.343 -1.369 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cncn1C)C(N)=O ZINC001367612164 887408468 /nfs/dbraw/zinc/40/84/68/887408468.db2.gz ZARGUOPLGBPLSQ-IUCAKERBSA-N 0 3 283.332 -1.636 20 0 CAADHN COc1ncccc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001367605726 887408518 /nfs/dbraw/zinc/40/85/18/887408518.db2.gz UFWJCBKLAISUHI-MRVPVSSYSA-N 0 3 282.300 -1.744 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1cncn1C ZINC001367610526 887408540 /nfs/dbraw/zinc/40/85/40/887408540.db2.gz WYJQZJINMUCYEY-MWLCHTKSSA-N 0 3 297.359 -1.502 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1c[nH]nc1C ZINC001367610531 887408676 /nfs/dbraw/zinc/40/86/76/887408676.db2.gz WYOUDRVLAJZRLF-VIFPVBQESA-N 0 3 283.332 -1.465 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1csnn1 ZINC001367604729 887409105 /nfs/dbraw/zinc/40/91/05/887409105.db2.gz DGECUCJWTSPPBZ-JGVFFNPUSA-N 0 3 299.356 -1.503 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc2ncccn2n1 ZINC001367613496 887409195 /nfs/dbraw/zinc/40/91/95/887409195.db2.gz MGFIPGIZSNIKSG-QMMMGPOBSA-N 0 3 292.299 -2.105 20 0 CAADHN CN1CCC[C@H](NC[C@H](O)CNC(=O)c2cnco2)C1=O ZINC001367607511 887409210 /nfs/dbraw/zinc/40/92/10/887409210.db2.gz GWELEUFQJGPBTE-UWVGGRQHSA-N 0 3 296.327 -1.024 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cncn1C)C(N)=O ZINC001367612126 887409318 /nfs/dbraw/zinc/40/93/18/887409318.db2.gz ZARGUOPLGBPLSQ-BDAKNGLRSA-N 0 3 283.332 -1.636 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1c(C)cnn1C ZINC001367604595 887409594 /nfs/dbraw/zinc/40/95/94/887409594.db2.gz IMEGYBNPKLBVMD-JTQLQIEISA-N 0 3 297.359 -1.455 20 0 CAADHN COc1ncccc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001367605728 887409608 /nfs/dbraw/zinc/40/96/08/887409608.db2.gz UFWJCBKLAISUHI-QMMMGPOBSA-N 0 3 282.300 -1.744 20 0 CAADHN CCc1ccc(CC(=O)NC[C@H](O)CNCC(N)=O)nc1 ZINC001367612995 887409805 /nfs/dbraw/zinc/40/98/05/887409805.db2.gz AMRQHWXLSGLQNV-GFCCVEGCSA-N 0 3 294.355 -1.262 20 0 CAADHN Cc1nonc1CNC[C@@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001367609434 887409947 /nfs/dbraw/zinc/40/99/47/887409947.db2.gz GWKSUAMYHNVKFD-SNVBAGLBSA-N 0 3 294.315 -1.089 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1n[nH]cc1F)C(N)=O ZINC001367607626 887409986 /nfs/dbraw/zinc/40/99/86/887409986.db2.gz IHZLBZUYHNIPAS-WDSKDSINSA-N 0 3 273.268 -1.897 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1csnn1 ZINC001367604723 887410051 /nfs/dbraw/zinc/41/00/51/887410051.db2.gz DGECUCJWTSPPBZ-HTQZYQBOSA-N 0 3 299.356 -1.503 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccnnc1)C(=O)N(C)C ZINC001367605980 887410074 /nfs/dbraw/zinc/41/00/74/887410074.db2.gz ABQPDSRFASKAIY-GXSJLCMTSA-N 0 3 295.343 -1.366 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1c(C)cnn1C ZINC001367608762 887410085 /nfs/dbraw/zinc/41/00/85/887410085.db2.gz PUNNPCSKUTXBSW-VIFPVBQESA-N 0 3 283.332 -1.845 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001367616486 887411535 /nfs/dbraw/zinc/41/15/35/887411535.db2.gz UXQDBLUMSBMMFA-GFCCVEGCSA-N 0 3 292.343 -1.047 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CC[C@H]1CCCCO1 ZINC001367623719 887411631 /nfs/dbraw/zinc/41/16/31/887411631.db2.gz QCVJIBHPRBNSPP-GHMZBOCLSA-N 0 3 287.360 -1.112 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cn(CC)nn1 ZINC001367623029 887411702 /nfs/dbraw/zinc/41/17/02/887411702.db2.gz XSYCLFZTFDESEV-VIFPVBQESA-N 0 3 298.347 -1.886 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001367615945 887411814 /nfs/dbraw/zinc/41/18/14/887411814.db2.gz IVTIQNJOMZBXLM-QCNOEVLYSA-N 0 3 299.371 -1.291 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccn(C(C)C)n1 ZINC001367623716 887411853 /nfs/dbraw/zinc/41/18/53/887411853.db2.gz QCMPAIWOQQPZCN-SNVBAGLBSA-N 0 3 297.359 -1.110 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001367616082 887411874 /nfs/dbraw/zinc/41/18/74/887411874.db2.gz MBMHFJTZTIWDDP-SNVBAGLBSA-N 0 3 297.359 -1.457 20 0 CAADHN CC(C)c1nn(C)cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001367620807 887412346 /nfs/dbraw/zinc/41/23/46/887412346.db2.gz CDYRCJDQLLEUKI-VIFPVBQESA-N 0 3 297.359 -1.291 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccc(Cl)cn1 ZINC001367617484 887412717 /nfs/dbraw/zinc/41/27/17/887412717.db2.gz AYOBYGVLNWCHGB-MRVPVSSYSA-N 0 3 286.719 -1.099 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1coc(C2CC2)n1 ZINC001367615878 887412872 /nfs/dbraw/zinc/41/28/72/887412872.db2.gz GFABDCKGSHHIAD-VIFPVBQESA-N 0 3 296.327 -1.022 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)n1 ZINC001367621385 887412894 /nfs/dbraw/zinc/41/28/94/887412894.db2.gz PMJKADMHXLUGBR-SNVBAGLBSA-N 0 3 295.343 -1.323 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cn1cc(Cl)cn1 ZINC001367625410 887412997 /nfs/dbraw/zinc/41/29/97/887412997.db2.gz TXTOHXVFTZHKFY-QMMMGPOBSA-N 0 3 289.723 -1.912 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C(C)C)c1 ZINC001367615231 887413183 /nfs/dbraw/zinc/41/31/83/887413183.db2.gz BFYZQFNNHXFMFG-LLVKDONJSA-N 0 3 297.359 -1.110 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC001367624462 887413443 /nfs/dbraw/zinc/41/34/43/887413443.db2.gz AOGHVVBNLILTMD-ZJUUUORDSA-N 0 3 297.359 -1.125 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNCc1nnnn1C)N(C)C ZINC001367614410 887413454 /nfs/dbraw/zinc/41/34/54/887413454.db2.gz FJSJUOJZIOGVAE-UWVGGRQHSA-N 0 3 299.379 -1.883 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@]1(C)CCCOC1 ZINC001367622653 887413469 /nfs/dbraw/zinc/41/34/69/887413469.db2.gz WXACTMMKDHKTMH-GWCFXTLKSA-N 0 3 287.360 -1.384 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1nocc1C ZINC001367621000 887413564 /nfs/dbraw/zinc/41/35/64/887413564.db2.gz ORQOSTQUAFWWKE-BDAKNGLRSA-N 0 3 284.316 -1.202 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCC(=O)N1C ZINC001367644975 887414692 /nfs/dbraw/zinc/41/46/92/887414692.db2.gz DEYLCHSMEUZXEB-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001367636607 887414852 /nfs/dbraw/zinc/41/48/52/887414852.db2.gz COBOAKIICSCWAJ-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)Cc1ccc[nH]1)NC1CC1 ZINC001367626476 887414923 /nfs/dbraw/zinc/41/49/23/887414923.db2.gz FWSFILWZTPZDOQ-LBPRGKRZSA-N 0 3 294.355 -1.098 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC001367631615 887415113 /nfs/dbraw/zinc/41/51/13/887415113.db2.gz PGLOVANOAPYLLQ-QMMMGPOBSA-N 0 3 297.315 -2.793 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)COc1ccccc1 ZINC001367629052 887415498 /nfs/dbraw/zinc/41/54/98/887415498.db2.gz WIZPWOWDONYEDX-JTQLQIEISA-N 0 3 281.312 -1.383 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001367645479 887415609 /nfs/dbraw/zinc/41/56/09/887415609.db2.gz BEPHRORVRPAJMK-APPZFPTMSA-N 0 3 288.348 -2.158 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(=O)n(C)n1 ZINC001367631614 887415795 /nfs/dbraw/zinc/41/57/95/887415795.db2.gz PGLOVANOAPYLLQ-MRVPVSSYSA-N 0 3 297.315 -2.793 20 0 CAADHN Cc1nccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001367631860 887415833 /nfs/dbraw/zinc/41/58/33/887415833.db2.gz QDZUAXGXXCYRTL-APPZFPTMSA-N 0 3 281.316 -1.661 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)c(C)n1C ZINC001367630687 887415875 /nfs/dbraw/zinc/41/58/75/887415875.db2.gz KSVHRIMIPWEKBQ-JTQLQIEISA-N 0 3 282.344 -1.192 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001367636603 887415989 /nfs/dbraw/zinc/41/59/89/887415989.db2.gz COBOAKIICSCWAJ-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001367638562 887416354 /nfs/dbraw/zinc/41/63/54/887416354.db2.gz GPFMLSXVOBBKNU-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1COCCO1 ZINC001367643242 887416506 /nfs/dbraw/zinc/41/65/06/887416506.db2.gz OBNBJOGUUQLOMP-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1CC2(C1)CCOCC2 ZINC001367627384 887416526 /nfs/dbraw/zinc/41/65/26/887416526.db2.gz VDAGSGSHMWGPJJ-NSHDSACASA-N 0 3 299.371 -1.255 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001367631446 887416630 /nfs/dbraw/zinc/41/66/30/887416630.db2.gz XNSVCLJIPLTURZ-LBPRGKRZSA-N 0 3 292.343 -1.117 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1ccc[nH]1)C(N)=O ZINC001367633267 887416770 /nfs/dbraw/zinc/41/67/70/887416770.db2.gz XNNOJOFPKGNSQK-MNOVXSKESA-N 0 3 282.344 -1.112 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1CNC(=O)N1 ZINC001367643865 887417023 /nfs/dbraw/zinc/41/70/23/887417023.db2.gz ANYDVIAEGOJHTB-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnn2cc[nH]c12 ZINC001367629810 887417075 /nfs/dbraw/zinc/41/70/75/887417075.db2.gz XKDVHEUMJHLKBZ-ZETCQYMHSA-N 0 3 280.288 -2.172 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@H](C)NC(N)=O ZINC001367647665 887417174 /nfs/dbraw/zinc/41/71/74/887417174.db2.gz LQQPGHOHWMPZCH-DTWKUNHWSA-N 0 3 287.364 -1.255 20 0 CAADHN CC[C@@H](C)NC(=O)CNC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001367656220 887418909 /nfs/dbraw/zinc/41/89/09/887418909.db2.gz YYEYGVRGXYPNFB-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](CNCc1cncn1C)NC(=O)Cn1cnnn1 ZINC001367653291 887419118 /nfs/dbraw/zinc/41/91/18/887419118.db2.gz GWOHXRPRPCCUGH-SECBINFHSA-N 0 3 278.320 -1.299 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001367662212 887419161 /nfs/dbraw/zinc/41/91/61/887419161.db2.gz FRFIHQGIKKHANO-BBBLOLIVSA-N 0 3 282.344 -1.410 20 0 CAADHN CNC(=O)CCCC(=O)N[C@H](C)CNCC(=O)NC ZINC001367667323 887419702 /nfs/dbraw/zinc/41/97/02/887419702.db2.gz XHYSCZKZFJXCRB-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCCO1 ZINC001367660055 887419571 /nfs/dbraw/zinc/41/95/71/887419571.db2.gz XBNAZOAYUFIGNU-HTQZYQBOSA-N 0 3 272.305 -1.545 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001367667210 887419585 /nfs/dbraw/zinc/41/95/85/887419585.db2.gz XUWAMISBIHQIAI-PRJMDXOYSA-N 0 3 273.337 -1.728 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001367662213 887419596 /nfs/dbraw/zinc/41/95/96/887419596.db2.gz FRFIHQGIKKHANO-OPRDCNLKSA-N 0 3 282.344 -1.410 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ncn[nH]1)c1nncn1C ZINC001367662516 887419799 /nfs/dbraw/zinc/41/97/99/887419799.db2.gz MQZRAYJRUZGTAL-SFYZADRCSA-N 0 3 294.319 -1.625 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1nc[nH]n1)c1nncn1C ZINC001367662516 887419808 /nfs/dbraw/zinc/41/98/08/887419808.db2.gz MQZRAYJRUZGTAL-SFYZADRCSA-N 0 3 294.319 -1.625 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@H](C)OC ZINC001367655901 887419920 /nfs/dbraw/zinc/41/99/20/887419920.db2.gz AMIJMIWVYPTELR-HLTSFMKQSA-N 0 3 288.348 -1.040 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CNC(=O)NC ZINC001367649757 887420172 /nfs/dbraw/zinc/42/01/72/887420172.db2.gz ZAMNPMNTZFXUTF-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CCn1ccnn1 ZINC001367668784 887420516 /nfs/dbraw/zinc/42/05/16/887420516.db2.gz TZBOQJPDYBIRHK-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001367654480 887420711 /nfs/dbraw/zinc/42/07/11/887420711.db2.gz CBGLNJDXJWWMBG-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN[C@H](C)C(=O)N(C)C ZINC001367659284 887420831 /nfs/dbraw/zinc/42/08/31/887420831.db2.gz CDPUSDQDNXORLZ-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CNCC(=O)N(C)C)C1 ZINC001367667390 887420920 /nfs/dbraw/zinc/42/09/20/887420920.db2.gz AIESFXSSTRPKBH-SECBINFHSA-N 0 3 284.360 -1.353 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001367649019 887421123 /nfs/dbraw/zinc/42/11/23/887421123.db2.gz VSQIOOBCHZPVKN-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001367699995 887422249 /nfs/dbraw/zinc/42/22/49/887422249.db2.gz SKKNOVOVAMYKNN-MRVPVSSYSA-N 0 3 296.331 -1.498 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1ccnnc1 ZINC001367698426 887422290 /nfs/dbraw/zinc/42/22/90/887422290.db2.gz JSKCRAXBDGAUPN-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN Cc1cnoc1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001367707359 887422396 /nfs/dbraw/zinc/42/23/96/887422396.db2.gz XLJOUKGSFNOYIM-SSDOTTSWSA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cnn2ccncc12 ZINC001367674741 887422410 /nfs/dbraw/zinc/42/24/10/887422410.db2.gz FKAOGEYABFFJMX-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cc(OC)n(C)n1 ZINC001367681747 887422454 /nfs/dbraw/zinc/42/24/54/887422454.db2.gz HHWGOQMCMLPKFG-MRVPVSSYSA-N 0 3 283.332 -1.117 20 0 CAADHN CNC(=O)c1cccc(C(=O)N[C@H](C)CNCC(N)=O)n1 ZINC001367706475 887422511 /nfs/dbraw/zinc/42/25/11/887422511.db2.gz DQOOKWHLFXWVSL-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)Cn1nnc2c1CCCC2 ZINC001367696835 887422544 /nfs/dbraw/zinc/42/25/44/887422544.db2.gz APLZRBQFOAUVEB-SECBINFHSA-N 0 3 294.359 -1.264 20 0 CAADHN CCCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001367693954 887422600 /nfs/dbraw/zinc/42/26/00/887422600.db2.gz WDJBJKYRCYYBNR-RKDXNWHRSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C1CS(=O)(=O)C1 ZINC001367674930 887422622 /nfs/dbraw/zinc/42/26/22/887422622.db2.gz JHUAXIZRMKXKPQ-VXNVDRBHSA-N 0 3 289.357 -1.986 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)CCc1ccon1 ZINC001367686362 887422903 /nfs/dbraw/zinc/42/29/03/887422903.db2.gz PDNXDVUKPZDULI-MRVPVSSYSA-N 0 3 297.315 -1.104 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001367689152 887423758 /nfs/dbraw/zinc/42/37/58/887423758.db2.gz JUFWJOUGESOSEJ-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cnc2n[nH]nc2c1 ZINC001367674754 887423891 /nfs/dbraw/zinc/42/38/91/887423891.db2.gz FZOHYPXMNPCNLC-ZCFIWIBFSA-N 0 3 277.288 -1.454 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CS(=O)(=O)N(C)C ZINC001367710660 887423968 /nfs/dbraw/zinc/42/39/68/887423968.db2.gz IPJCFRZIGXIIQO-SFYZADRCSA-N 0 3 294.377 -2.154 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001367676279 887424112 /nfs/dbraw/zinc/42/41/12/887424112.db2.gz ROYRMMFZKCJMSY-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001367704313 887424194 /nfs/dbraw/zinc/42/41/94/887424194.db2.gz QICIREAFJYTRCE-MRVPVSSYSA-N 0 3 295.343 -1.042 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H](C)CC(N)=O ZINC001367691234 887424343 /nfs/dbraw/zinc/42/43/43/887424343.db2.gz CESKOUXETWZXGV-RKDXNWHRSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001367689156 887424356 /nfs/dbraw/zinc/42/43/56/887424356.db2.gz JUFWJOUGESOSEJ-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001367693881 887424370 /nfs/dbraw/zinc/42/43/70/887424370.db2.gz ZGUWHDRNJOTYDL-KXUCPTDWSA-N 0 3 282.344 -1.410 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001367694226 887424501 /nfs/dbraw/zinc/42/45/01/887424501.db2.gz CCSPZPPGOAXQKI-SFYZADRCSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CNC(=O)c1ccncc1 ZINC001367736098 887425688 /nfs/dbraw/zinc/42/56/88/887425688.db2.gz YOJQAAKZXVGGMD-VIFPVBQESA-N 0 3 293.327 -1.609 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001367736673 887425832 /nfs/dbraw/zinc/42/58/32/887425832.db2.gz NVUQGPBRCUGLHW-DTWKUNHWSA-N 0 3 293.389 -1.493 20 0 CAADHN CNC(=O)CCCC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001367729193 887425889 /nfs/dbraw/zinc/42/58/89/887425889.db2.gz VXCYUGSMIKYORZ-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001367720129 887426270 /nfs/dbraw/zinc/42/62/70/887426270.db2.gz PHJMKVPBADOWLB-YUMQZZPRSA-N 0 3 298.347 -1.773 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)[C@H]2COC(=O)N2)n[nH]1 ZINC001367726272 887426366 /nfs/dbraw/zinc/42/63/66/887426366.db2.gz DKYGVXHJXLRJMD-POYBYMJQSA-N 0 3 282.304 -1.184 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1ccc(C(N)=O)cc1 ZINC001367714042 887426695 /nfs/dbraw/zinc/42/66/95/887426695.db2.gz ZTODFGPHXXISKX-MRVPVSSYSA-N 0 3 278.312 -1.021 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)Cc1ccon1 ZINC001367727399 887427098 /nfs/dbraw/zinc/42/70/98/887427098.db2.gz WHHORPLHQOHCBY-QMMMGPOBSA-N 0 3 294.315 -1.067 20 0 CAADHN COCC(=O)N[C@@H](C)CNCC(=O)NC(=O)NC1CC1 ZINC001367721575 887427117 /nfs/dbraw/zinc/42/71/17/887427117.db2.gz QYLYOAKOWXEDBF-QMMMGPOBSA-N 0 3 286.332 -1.285 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCO1 ZINC001367720636 887427136 /nfs/dbraw/zinc/42/71/36/887427136.db2.gz QMHYXYIWSWSWFP-DTWKUNHWSA-N 0 3 286.332 -1.285 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001367719034 887428476 /nfs/dbraw/zinc/42/84/76/887428476.db2.gz HROOHBMYSCMICC-IUCAKERBSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C1CS(=O)(=O)C1 ZINC001367734317 887427492 /nfs/dbraw/zinc/42/74/92/887427492.db2.gz JHUAXIZRMKXKPQ-CBAPKCEASA-N 0 3 289.357 -1.986 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001367717079 887427808 /nfs/dbraw/zinc/42/78/08/887427808.db2.gz SYTANCZOLGRRHJ-BDAKNGLRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001367732669 887427877 /nfs/dbraw/zinc/42/78/77/887427877.db2.gz BSUHQUWYMTVYOD-QMMMGPOBSA-N 0 3 297.363 -1.450 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1ccn[nH]1 ZINC001367721185 887427893 /nfs/dbraw/zinc/42/78/93/887427893.db2.gz IVDBABMGOPAUSC-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001367727092 887428106 /nfs/dbraw/zinc/42/81/06/887428106.db2.gz IZYAUYMWNBGIHN-BQBZGAKWSA-N 0 3 298.303 -2.189 20 0 CAADHN Cc1nc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)co1 ZINC001367727066 887428177 /nfs/dbraw/zinc/42/81/77/887428177.db2.gz WHDCSVWRLKLHER-LURJTMIESA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001367716352 887428225 /nfs/dbraw/zinc/42/82/25/887428225.db2.gz WYMKXAALZHTLGT-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN Cc1ccnc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)n1 ZINC001367727855 887428266 /nfs/dbraw/zinc/42/82/66/887428266.db2.gz IKDWOKUUDVXLQP-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367711430 887428374 /nfs/dbraw/zinc/42/83/74/887428374.db2.gz FQDCDHIKCYPRGY-NXEZZACHSA-N 0 3 296.375 -1.346 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367711430 887428383 /nfs/dbraw/zinc/42/83/83/887428383.db2.gz FQDCDHIKCYPRGY-NXEZZACHSA-N 0 3 296.375 -1.346 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001367715596 887428407 /nfs/dbraw/zinc/42/84/07/887428407.db2.gz JECDYWSAWHFOJJ-HTQZYQBOSA-N 0 3 292.361 -2.482 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)CC(C)(C)O ZINC001367726985 887428639 /nfs/dbraw/zinc/42/86/39/887428639.db2.gz FICHTEKMQUSFTA-YUMQZZPRSA-N 0 3 288.348 -1.175 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)[C@@H]2CCC(=O)N2)n[nH]1 ZINC001367767501 887429981 /nfs/dbraw/zinc/42/99/81/887429981.db2.gz LEWOMTOUUVLXBA-CBAPKCEASA-N 0 3 280.332 -1.014 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001367750892 887430158 /nfs/dbraw/zinc/43/01/58/887430158.db2.gz URMYUTIZKYDDQZ-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCn1cnccc1=O ZINC001367764858 887430307 /nfs/dbraw/zinc/43/03/07/887430307.db2.gz UXDGAUQJQGSAJE-VIFPVBQESA-N 0 3 281.316 -1.787 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001367753990 887430812 /nfs/dbraw/zinc/43/08/12/887430812.db2.gz MVFUNXZYAPBULW-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN Cc1n[nH]c(=O)c(C(=O)N[C@@H](C)CNCC(N)=O)c1C ZINC001367750240 887430930 /nfs/dbraw/zinc/43/09/30/887430930.db2.gz VWUHKOYIYNQELN-LURJTMIESA-N 0 3 281.316 -1.008 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001367754959 887430993 /nfs/dbraw/zinc/43/09/93/887430993.db2.gz PQKAIXLPXZGKFI-JGVFFNPUSA-N 0 3 279.300 -1.634 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001367760912 887431028 /nfs/dbraw/zinc/43/10/28/887431028.db2.gz RWQRSPBSCBQCRF-RNJXMRFFSA-N 0 3 296.331 -2.176 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001367762902 887431042 /nfs/dbraw/zinc/43/10/42/887431042.db2.gz NTDBDNKWBFLOOA-ZETCQYMHSA-N 0 3 292.299 -1.372 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001367749626 887431132 /nfs/dbraw/zinc/43/11/32/887431132.db2.gz CSQOSYASCLJUHD-WYOJIJJFSA-N 0 3 298.343 -1.571 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001367754960 887431303 /nfs/dbraw/zinc/43/13/03/887431303.db2.gz PQKAIXLPXZGKFI-YUMQZZPRSA-N 0 3 279.300 -1.634 20 0 CAADHN COC[C@H](C)CC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001367764463 887431522 /nfs/dbraw/zinc/43/15/22/887431522.db2.gz SWMOUCVZLQSXIA-BDAKNGLRSA-N 0 3 288.348 -1.052 20 0 CAADHN C[C@@H](CNCc1cnnn1C)NC(=O)Cc1nc[nH]n1 ZINC001367766564 887431763 /nfs/dbraw/zinc/43/17/63/887431763.db2.gz BVXKAEFUNQEXMC-QMMMGPOBSA-N 0 3 278.320 -1.230 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001367770911 887431783 /nfs/dbraw/zinc/43/17/83/887431783.db2.gz KQDJLYRGHTVTSW-JGVFFNPUSA-N 0 3 295.343 -1.044 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001367747690 887431826 /nfs/dbraw/zinc/43/18/26/887431826.db2.gz CAQSGHCMZIUZRD-JTQLQIEISA-N 0 3 299.375 -2.351 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)CNCC(=O)NC ZINC001367771772 887431945 /nfs/dbraw/zinc/43/19/45/887431945.db2.gz OBXXXCBCTDISJB-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@@H](CNCc1cncn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367754903 887432013 /nfs/dbraw/zinc/43/20/13/887432013.db2.gz OTYPGOHQFYPCSI-WPRPVWTQSA-N 0 3 280.332 -1.304 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCNC(N)=O)C(=O)N(C)C ZINC001367769773 887432037 /nfs/dbraw/zinc/43/20/37/887432037.db2.gz HDQGMNOBJARDQY-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001367820780 887434262 /nfs/dbraw/zinc/43/42/62/887434262.db2.gz WDRGDQDYLDXUNS-IUCAKERBSA-N 0 3 295.343 -1.248 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)[C@H]1COC(=O)N1 ZINC001367811842 887434487 /nfs/dbraw/zinc/43/44/87/887434487.db2.gz XVTYQGDTIXRDRA-NXEZZACHSA-N 0 3 296.331 -1.177 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001367833435 887435381 /nfs/dbraw/zinc/43/53/81/887435381.db2.gz QQDRRJHNOHFKKH-VIFPVBQESA-N 0 3 298.343 -1.874 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001367833393 887435536 /nfs/dbraw/zinc/43/55/36/887435536.db2.gz QQDRRJHNOHFKKH-SECBINFHSA-N 0 3 298.343 -1.874 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1COC(=O)N1 ZINC001367811847 887436257 /nfs/dbraw/zinc/43/62/57/887436257.db2.gz XVTYQGDTIXRDRA-UWVGGRQHSA-N 0 3 296.331 -1.177 20 0 CAADHN CC[C@H](C(=O)N[C@@H](C)CNCC(N)=O)N1CCCC1=O ZINC001367773586 887436411 /nfs/dbraw/zinc/43/64/11/887436411.db2.gz GFXJLLIHGMBWIJ-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@@H]1CCNC(=O)CC1)C1CC1 ZINC001367903003 887438071 /nfs/dbraw/zinc/43/80/71/887438071.db2.gz PUNKONCSQKEYKB-QWRGUYRKSA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001367884102 887438092 /nfs/dbraw/zinc/43/80/92/887438092.db2.gz NAZFRTHZRHIDKG-VIFPVBQESA-N 0 3 279.300 -1.235 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001367887080 887438175 /nfs/dbraw/zinc/43/81/75/887438175.db2.gz QJYCAQXGZWHQNC-HTQZYQBOSA-N 0 3 270.289 -1.936 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CN[C@H](C)C(=O)NC)C1CC1 ZINC001367893147 887438352 /nfs/dbraw/zinc/43/83/52/887438352.db2.gz CWLKKWKAHLEGES-PSASIEDQSA-N 0 3 299.375 -1.466 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001367920604 887438388 /nfs/dbraw/zinc/43/83/88/887438388.db2.gz LROAYOWVWSIQKL-VIFPVBQESA-N 0 3 280.332 -1.422 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001367894073 887438550 /nfs/dbraw/zinc/43/85/50/887438550.db2.gz FXZXOPCWZPRXDZ-UWVGGRQHSA-N 0 3 297.359 -1.712 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001367858955 887438660 /nfs/dbraw/zinc/43/86/60/887438660.db2.gz GPUWVVRGEVLIER-VIFPVBQESA-N 0 3 298.347 -1.540 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)c1cn(CC(N)=O)nn1 ZINC001367863316 887438686 /nfs/dbraw/zinc/43/86/86/887438686.db2.gz QDRUFOSKUXZOOH-QMMMGPOBSA-N 0 3 284.320 -2.194 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001367914676 887438699 /nfs/dbraw/zinc/43/86/99/887438699.db2.gz IUUHNMNAPXJYMH-WDEREUQCSA-N 0 3 296.371 -1.115 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001367922744 887438782 /nfs/dbraw/zinc/43/87/82/887438782.db2.gz PUCGKNCYNTXWOW-MNOVXSKESA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001367908175 887438920 /nfs/dbraw/zinc/43/89/20/887438920.db2.gz ZMUNFXNUZYITLB-VXNVDRBHSA-N 0 3 270.333 -1.532 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001367887097 887438934 /nfs/dbraw/zinc/43/89/34/887438934.db2.gz QJYCAQXGZWHQNC-YUMQZZPRSA-N 0 3 270.289 -1.936 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@H](CNCC(=O)N(C)C)C1CC1 ZINC001367887104 887438962 /nfs/dbraw/zinc/43/89/62/887438962.db2.gz NMCSIERSZNCDDR-WCBMZHEXSA-N 0 3 299.375 -1.384 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001367908172 887439106 /nfs/dbraw/zinc/43/91/06/887439106.db2.gz ZMUNFXNUZYITLB-APPZFPTMSA-N 0 3 270.333 -1.532 20 0 CAADHN CC[C@@H](NC1(CNC(=O)CNC(=O)OC)CC1)C(N)=O ZINC001367988698 887444289 /nfs/dbraw/zinc/44/42/89/887444289.db2.gz VNFTZAZQSRULQC-MRVPVSSYSA-N 0 3 286.332 -1.155 20 0 CAADHN CC[C@H](NC1(CNC(=O)CNC(=O)OC)CC1)C(N)=O ZINC001367988705 887444545 /nfs/dbraw/zinc/44/45/45/887444545.db2.gz VNFTZAZQSRULQC-QMMMGPOBSA-N 0 3 286.332 -1.155 20 0 CAADHN CNC(=O)[C@@H](C)NC1(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001367988321 887445004 /nfs/dbraw/zinc/44/50/04/887445004.db2.gz BNAVTBYRFPSGIF-GHMZBOCLSA-N 0 3 298.387 -1.310 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCN1CC1CC1)C(N)=O ZINC001367960741 887446025 /nfs/dbraw/zinc/44/60/25/887446025.db2.gz KNWSOSLQYBEDLS-RYUDHWBXSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001367990178 887446511 /nfs/dbraw/zinc/44/65/11/887446511.db2.gz IMVLWYQISZFOTA-JTQLQIEISA-N 0 3 284.360 -1.699 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001368119883 887452107 /nfs/dbraw/zinc/45/21/07/887452107.db2.gz SUOZEWVWGDXHMR-VHSXEESVSA-N 0 3 299.375 -1.111 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)CN1CCOCC1)C(N)=O ZINC001368095547 887452055 /nfs/dbraw/zinc/45/20/55/887452055.db2.gz CBQLLDUACXSDKT-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)c1nccnc1N ZINC001368102870 887453062 /nfs/dbraw/zinc/45/30/62/887453062.db2.gz QXXVYAYSAKKKON-QMMMGPOBSA-N 0 3 278.316 -1.262 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CCCC1 ZINC001368137138 887453134 /nfs/dbraw/zinc/45/31/34/887453134.db2.gz DUCDDVHFKNRIIH-UWVGGRQHSA-N 0 3 298.343 -1.155 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@@H]2CNCC(N)=O)[nH]c1=O ZINC001368106540 887453471 /nfs/dbraw/zinc/45/34/71/887453471.db2.gz IBWPOZAPJOYMIU-MRVPVSSYSA-N 0 3 281.316 -1.195 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@H]2CNCC(N)=O)CCC(=O)NC1 ZINC001368109885 887453506 /nfs/dbraw/zinc/45/35/06/887453506.db2.gz OSEYLFPOQITEHY-IINYFYTJSA-N 0 3 296.371 -1.031 20 0 CAADHN COC[C@@H](O)CN1CC(N(C)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001368081965 887453784 /nfs/dbraw/zinc/45/37/84/887453784.db2.gz IVZMUCQRKGGJNI-JTQLQIEISA-N 0 3 298.343 -1.111 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N[C@@H]1COC[C@H]1O ZINC001368154849 887453947 /nfs/dbraw/zinc/45/39/47/887453947.db2.gz PZVIXCOLTHHPSX-NNYUYHANSA-N 0 3 285.344 -1.092 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@@H]2CNCC(N)=O)CCC(=O)NC1 ZINC001368109886 887454008 /nfs/dbraw/zinc/45/40/08/887454008.db2.gz OSEYLFPOQITEHY-QMTHXVAHSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)Cn1ccccc1=O ZINC001368122807 887454095 /nfs/dbraw/zinc/45/40/95/887454095.db2.gz YQQUASRHBQJRFT-LLVKDONJSA-N 0 3 292.339 -1.086 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CCCC1 ZINC001368137140 887454106 /nfs/dbraw/zinc/45/41/06/887454106.db2.gz DUCDDVHFKNRIIH-ZJUUUORDSA-N 0 3 298.343 -1.155 20 0 CAADHN C[C@@]1(NC(=O)CN2CCOCC2=O)CCN(CCO)C1 ZINC001368149533 887454332 /nfs/dbraw/zinc/45/43/32/887454332.db2.gz DZGNEDDBUHHLBF-CYBMUJFWSA-N 0 3 285.344 -1.582 20 0 CAADHN C[C@]1(C(=O)N2CCC[C@@H]2CNCC(N)=O)CCC(=O)NC1 ZINC001368109887 887454549 /nfs/dbraw/zinc/45/45/49/887454549.db2.gz OSEYLFPOQITEHY-YGRLFVJLSA-N 0 3 296.371 -1.031 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1COC[C@H]1O ZINC001368154844 887454740 /nfs/dbraw/zinc/45/47/40/887454740.db2.gz PZVIXCOLTHHPSX-IRCOFANPSA-N 0 3 285.344 -1.092 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001368104500 887454940 /nfs/dbraw/zinc/45/49/40/887454940.db2.gz IHURSWNZHYGLPH-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)c1cn[nH]c(=O)c1 ZINC001368188645 887456073 /nfs/dbraw/zinc/45/60/73/887456073.db2.gz YSJZQHYWDYLJQV-VIFPVBQESA-N 0 3 279.300 -1.138 20 0 CAADHN CO[C@H](C)C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001368221585 887457316 /nfs/dbraw/zinc/45/73/16/887457316.db2.gz GWWZOOHYMOIYKD-SECBINFHSA-N 0 3 273.333 -1.238 20 0 CAADHN C[C@]1(NC(=O)CCc2cnn[nH]2)CCN(CC(N)=O)C1 ZINC001368167533 887457437 /nfs/dbraw/zinc/45/74/37/887457437.db2.gz CTGPPDZJFZYKKY-LBPRGKRZSA-N 0 3 280.332 -1.197 20 0 CAADHN Cc1nn(CC(=O)N[C@@]2(C)CCN(CCO)C2)c(=O)n1C ZINC001368169413 887458931 /nfs/dbraw/zinc/45/89/31/887458931.db2.gz CXULALFMIWPSNT-ZDUSSCGKSA-N 0 3 297.359 -1.537 20 0 CAADHN COC[C@@H](O)CN1CC[C@](O)(CNC(=O)c2cocn2)C1 ZINC001368248281 887460921 /nfs/dbraw/zinc/46/09/21/887460921.db2.gz RDDAHUSSZDAVJW-GWCFXTLKSA-N 0 3 299.327 -1.152 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001368251490 887461007 /nfs/dbraw/zinc/46/10/07/887461007.db2.gz KJSQEWOMGJHXCD-SMDDNHRTSA-N 0 3 299.371 -1.288 20 0 CAADHN Cn1cc(CC(=O)NC[C@]2(O)CCN(CCO)C2)cn1 ZINC001368247139 887461668 /nfs/dbraw/zinc/46/16/68/887461668.db2.gz OZLQBBDVGQTDIS-CYBMUJFWSA-N 0 3 282.344 -1.492 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cccc(=O)[nH]1 ZINC001368244143 887461972 /nfs/dbraw/zinc/46/19/72/887461972.db2.gz DBNKZJXQNXBXSC-ZDUSSCGKSA-N 0 3 281.312 -1.054 20 0 CAADHN COC[C@H](O)CN1CC[C@@](O)(CNC(=O)c2cnco2)C1 ZINC001368257911 887462322 /nfs/dbraw/zinc/46/23/22/887462322.db2.gz NUXPVNGECOYDKQ-ZWNOBZJWSA-N 0 3 299.327 -1.152 20 0 CAADHN COC[C@H](O)CN1CC[C@@](O)(CNC(=O)c2cocn2)C1 ZINC001368248292 887462376 /nfs/dbraw/zinc/46/23/76/887462376.db2.gz RDDAHUSSZDAVJW-ZWNOBZJWSA-N 0 3 299.327 -1.152 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@]12C[C@H]1COC2 ZINC001368249857 887462456 /nfs/dbraw/zinc/46/24/56/887462456.db2.gz VIHQRBQTJJEGCC-DRZSPHRISA-N 0 3 270.329 -1.432 20 0 CAADHN COC[C@H](O)CN1CC[C@](O)(CNC(=O)c2cocn2)C1 ZINC001368248288 887462880 /nfs/dbraw/zinc/46/28/80/887462880.db2.gz RDDAHUSSZDAVJW-MFKMUULPSA-N 0 3 299.327 -1.152 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@@H]1CCNC(=O)CC1 ZINC001368249917 887463110 /nfs/dbraw/zinc/46/31/10/887463110.db2.gz NOAIDOLFJYBEMO-FZMZJTMJSA-N 0 3 299.371 -1.552 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@H]1CCNC(=O)CC1 ZINC001368249920 887463497 /nfs/dbraw/zinc/46/34/97/887463497.db2.gz NOAIDOLFJYBEMO-RISCZKNCSA-N 0 3 299.371 -1.552 20 0 CAADHN COC[C@@H](O)CN1CC[C@@](O)(CNC(=O)c2cnco2)C1 ZINC001368257908 887464193 /nfs/dbraw/zinc/46/41/93/887464193.db2.gz NUXPVNGECOYDKQ-GXFFZTMASA-N 0 3 299.327 -1.152 20 0 CAADHN C[C@]1(C(=O)NC[C@]2(O)CCN(CCO)C2)CCC(=O)NC1 ZINC001368267002 887465829 /nfs/dbraw/zinc/46/58/29/887465829.db2.gz OHVJJCAHAGLHEB-UONOGXRCSA-N 0 3 299.371 -1.552 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001368274967 887466132 /nfs/dbraw/zinc/46/61/32/887466132.db2.gz HTNYEQUIJDUENQ-CYBMUJFWSA-N 0 3 287.360 -1.159 20 0 CAADHN C[C@@]1(C(=O)NC[C@]2(O)CCN(CCO)C2)CCC(=O)NC1 ZINC001368267005 887466208 /nfs/dbraw/zinc/46/62/08/887466208.db2.gz OHVJJCAHAGLHEB-ZIAGYGMSSA-N 0 3 299.371 -1.552 20 0 CAADHN Cc1nonc1C(=O)NC[C@@]1(O)CCN(CCCO)C1 ZINC001368277817 887466511 /nfs/dbraw/zinc/46/65/11/887466511.db2.gz TVBWCRRTHHBTLC-LBPRGKRZSA-N 0 3 284.316 -1.073 20 0 CAADHN Cn1ccc(C(=O)NC[C@@]2(O)CCN(CCO)C2)cc1=O ZINC001368265929 887466992 /nfs/dbraw/zinc/46/69/92/887466992.db2.gz WAKHSJVOCWPMRH-AWEZNQCLSA-N 0 3 295.339 -1.456 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001368268789 887467085 /nfs/dbraw/zinc/46/70/85/887467085.db2.gz SXIHIEFTMDBQSK-GXFFZTMASA-N 0 3 285.344 -1.848 20 0 CAADHN Cn1ccc(C(=O)NC[C@]2(O)CCN(CCO)C2)cc1=O ZINC001368265931 887467376 /nfs/dbraw/zinc/46/73/76/887467376.db2.gz WAKHSJVOCWPMRH-CQSZACIVSA-N 0 3 295.339 -1.456 20 0 CAADHN COC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001368275587 887467572 /nfs/dbraw/zinc/46/75/72/887467572.db2.gz GXMNNMHRLXSHSE-GXFFZTMASA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001368275587 887467574 /nfs/dbraw/zinc/46/75/74/887467574.db2.gz GXMNNMHRLXSHSE-GXFFZTMASA-N 0 3 297.359 -1.065 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368281982 887469876 /nfs/dbraw/zinc/46/98/76/887469876.db2.gz RXNJIYAVOPZFMJ-UFBFGSQYSA-N 0 3 296.331 -2.226 20 0 CAADHN C[C@H](O)CCCN1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001368316324 887476301 /nfs/dbraw/zinc/47/63/01/887476301.db2.gz ZKRBQIFKICKKDL-VIFPVBQESA-N 0 3 283.332 -1.258 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001368330998 887479276 /nfs/dbraw/zinc/47/92/76/887479276.db2.gz UVTFCXGHYFKSLB-NSHDSACASA-N 0 3 298.387 -1.622 20 0 CAADHN C[C@H](O)CN1CCC[C@](CO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001368369723 887479350 /nfs/dbraw/zinc/47/93/50/887479350.db2.gz ANXJKDGYZPCQBU-GWCFXTLKSA-N 0 3 297.359 -1.329 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)[C@@H]1CCCO1)C(N)=O ZINC001368386927 887482366 /nfs/dbraw/zinc/48/23/66/887482366.db2.gz JVAJQUUJZUHHCK-QWRGUYRKSA-N 0 3 287.360 -1.160 20 0 CAADHN CC(=O)N(C)CC(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001368384618 887482387 /nfs/dbraw/zinc/48/23/87/887482387.db2.gz DAKRWFIGSXBGQE-VIFPVBQESA-N 0 3 288.348 -2.251 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cnnn1C ZINC001368390369 887482451 /nfs/dbraw/zinc/48/24/51/887482451.db2.gz FCNZFGKGAJSGSI-VIFPVBQESA-N 0 3 298.347 -2.026 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)[C@H]1CCCO1)C(N)=O ZINC001368386929 887482586 /nfs/dbraw/zinc/48/25/86/887482586.db2.gz JVAJQUUJZUHHCK-WDEREUQCSA-N 0 3 287.360 -1.160 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cnco1)C(N)=O ZINC001368397350 887482713 /nfs/dbraw/zinc/48/27/13/887482713.db2.gz MTYHTDCVEKAXJA-QMMMGPOBSA-N 0 3 270.289 -1.428 20 0 CAADHN O=C(N[C@@]1(CO)CCCN(CCCO)C1)[C@H]1CCC(=O)N1 ZINC001368375928 887483003 /nfs/dbraw/zinc/48/30/03/887483003.db2.gz UGKRQXDPIRRKIW-RISCZKNCSA-N 0 3 299.371 -1.410 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cnn(C)c1)C(N)=O ZINC001368388120 887483112 /nfs/dbraw/zinc/48/31/12/887483112.db2.gz QEXVTLQVWGGPQO-VIFPVBQESA-N 0 3 283.332 -1.682 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@H]1CC1(F)F)C(N)=O ZINC001368395997 887483141 /nfs/dbraw/zinc/48/31/41/887483141.db2.gz UHEFFHFNNKOOMU-SFYZADRCSA-N 0 3 279.287 -1.074 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@H]2CN(CCO)C[C@H]21 ZINC001368385403 887483278 /nfs/dbraw/zinc/48/32/78/887483278.db2.gz AEGRGBMGLOONAP-GARJFASQSA-N 0 3 284.360 -1.042 20 0 CAADHN O=C(c1cncnc1)N(CCO)CCN[C@H]1CCNC1=O ZINC001368397262 887483426 /nfs/dbraw/zinc/48/34/26/887483426.db2.gz WLFMVKQNCNYEHG-NSHDSACASA-N 0 3 293.327 -1.611 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cc[nH]n1 ZINC001368386032 887483583 /nfs/dbraw/zinc/48/35/83/887483583.db2.gz GOMXKRRDVHTCNO-SECBINFHSA-N 0 3 283.332 -1.432 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cc[nH]n1 ZINC001368386108 887483624 /nfs/dbraw/zinc/48/36/24/887483624.db2.gz GOMXKRRDVHTCNO-VIFPVBQESA-N 0 3 283.332 -1.432 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cnnn1C ZINC001368390367 887483676 /nfs/dbraw/zinc/48/36/76/887483676.db2.gz FCNZFGKGAJSGSI-SECBINFHSA-N 0 3 298.347 -2.026 20 0 CAADHN O=C(c1cncnc1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001368397260 887483765 /nfs/dbraw/zinc/48/37/65/887483765.db2.gz WLFMVKQNCNYEHG-LLVKDONJSA-N 0 3 293.327 -1.611 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@H](C)OC ZINC001368390343 887484048 /nfs/dbraw/zinc/48/40/48/887484048.db2.gz DZECWUVSUZANJM-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1ncn(C)n1)C(N)=O ZINC001368391515 887484134 /nfs/dbraw/zinc/48/41/34/887484134.db2.gz HVFNGMJBPJOJPG-SECBINFHSA-N 0 3 298.347 -1.897 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1ncccn1)C(N)=O ZINC001368397038 887484626 /nfs/dbraw/zinc/48/46/26/887484626.db2.gz LQYGFVZEBVYXJV-JTQLQIEISA-N 0 3 295.343 -1.235 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)[C@@H]1CCCO1)C(N)=O ZINC001368386924 887484713 /nfs/dbraw/zinc/48/47/13/887484713.db2.gz JVAJQUUJZUHHCK-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cn[nH]n1)C(N)=O ZINC001368393835 887484936 /nfs/dbraw/zinc/48/49/36/887484936.db2.gz FMKHCSPWOPJDOH-SSDOTTSWSA-N 0 3 270.293 -2.297 20 0 CAADHN CNC(=O)CNC1(CNC(=O)c2cnnn2C)CCC1 ZINC001368466702 887486533 /nfs/dbraw/zinc/48/65/33/887486533.db2.gz GQZQEEVDGHEAAO-UHFFFAOYSA-N 0 3 280.332 -1.197 20 0 CAADHN Cc1nonc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001368418079 887486567 /nfs/dbraw/zinc/48/65/67/887486567.db2.gz XMEDFTOWIWWAJB-MRVPVSSYSA-N 0 3 285.304 -1.724 20 0 CAADHN O=C(Cc1ncc[nH]1)N(CCO)CCN[C@H]1CCNC1=O ZINC001368402263 887486649 /nfs/dbraw/zinc/48/66/49/887486649.db2.gz XDVXUIFLOYWWIH-JTQLQIEISA-N 0 3 295.343 -1.749 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cccnn1 ZINC001368402606 887486699 /nfs/dbraw/zinc/48/66/99/887486699.db2.gz YKIIHIIGDRVHDP-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1ccncn1 ZINC001368402407 887487110 /nfs/dbraw/zinc/48/71/10/887487110.db2.gz XYOAUHIPTQJGBO-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN Cc1nnc(CC(=O)N(CCO)CCN[C@H](C)C(N)=O)[nH]1 ZINC001368398356 887487305 /nfs/dbraw/zinc/48/73/05/887487305.db2.gz ZGGCVEFXQCJSEL-MRVPVSSYSA-N 0 3 298.347 -2.060 20 0 CAADHN CCc1nc[nH]c1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001368417945 887487551 /nfs/dbraw/zinc/48/75/51/887487551.db2.gz XHAOCFUDWQDKCR-VIFPVBQESA-N 0 3 297.359 -1.130 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001368446902 887488174 /nfs/dbraw/zinc/48/81/74/887488174.db2.gz GFDJZERREBBAOC-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001368507711 887489623 /nfs/dbraw/zinc/48/96/23/887489623.db2.gz ARHALNYQLBIILJ-SNVBAGLBSA-N 0 3 295.343 -1.403 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001368529238 887489885 /nfs/dbraw/zinc/48/98/85/887489885.db2.gz HDBJMENNMYYKLR-RKDXNWHRSA-N 0 3 297.315 -1.365 20 0 CAADHN CCC(=O)NCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001368524547 887489971 /nfs/dbraw/zinc/48/99/71/887489971.db2.gz RFJDUWCDJKHSBQ-SECBINFHSA-N 0 3 286.332 -2.185 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)CCO1 ZINC001368510147 887490022 /nfs/dbraw/zinc/49/00/22/887490022.db2.gz UOMMXTVRALSWNN-MRVPVSSYSA-N 0 3 295.299 -1.902 20 0 CAADHN NC(=O)CNC1(CNC(=O)CCn2ccnn2)CCC1 ZINC001368475227 887490091 /nfs/dbraw/zinc/49/00/91/887490091.db2.gz MZZQIZNCPHDTRC-UHFFFAOYSA-N 0 3 280.332 -1.218 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CCCN2C(N)=O)CCC1 ZINC001368497340 887490170 /nfs/dbraw/zinc/49/01/70/887490170.db2.gz LPCSZGBERZDPCD-VIFPVBQESA-N 0 3 297.359 -1.357 20 0 CAADHN Cn1nnc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)n1 ZINC001368511357 887490401 /nfs/dbraw/zinc/49/04/01/887490401.db2.gz VAULFJHGQPWKGG-SSDOTTSWSA-N 0 3 283.292 -2.874 20 0 CAADHN Cn1nnc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)n1 ZINC001368511437 887490490 /nfs/dbraw/zinc/49/04/90/887490490.db2.gz VAULFJHGQPWKGG-ZETCQYMHSA-N 0 3 283.292 -2.874 20 0 CAADHN CCCNC(=O)CNC[C@@H]1CN(C(=O)COC)CCO1 ZINC001368502360 887490511 /nfs/dbraw/zinc/49/05/11/887490511.db2.gz LDRNVTBTUVDLMW-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001368529220 887490523 /nfs/dbraw/zinc/49/05/23/887490523.db2.gz HDBJMENNMYYKLR-IUCAKERBSA-N 0 3 297.315 -1.365 20 0 CAADHN CCC(=O)N1CCO[C@@H](CN[C@H](C)C(=O)NC(N)=O)C1 ZINC001368503110 887490542 /nfs/dbraw/zinc/49/05/42/887490542.db2.gz OTIMXINMAUWXSR-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2ccncn2)CCO1 ZINC001368539868 887490740 /nfs/dbraw/zinc/49/07/40/887490740.db2.gz YUHDDHRAQPLTES-JTQLQIEISA-N 0 3 293.327 -1.347 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)on1 ZINC001368500968 887490826 /nfs/dbraw/zinc/49/08/26/887490826.db2.gz ANIJURZOOVZFPD-SECBINFHSA-N 0 3 282.300 -1.101 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C2=COCCC2)CCO1 ZINC001368513166 887491008 /nfs/dbraw/zinc/49/10/08/887491008.db2.gz HSBNKUOBMIRIJJ-LLVKDONJSA-N 0 3 283.328 -1.017 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)on1 ZINC001368500976 887491037 /nfs/dbraw/zinc/49/10/37/887491037.db2.gz ANIJURZOOVZFPD-VIFPVBQESA-N 0 3 282.300 -1.101 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)Cc2cnoc2)CCO1)C(N)=O ZINC001368504876 887491332 /nfs/dbraw/zinc/49/13/32/887491332.db2.gz LCNPTLKSEWZIPB-KOLCDFICSA-N 0 3 296.327 -1.092 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001368517113 887491405 /nfs/dbraw/zinc/49/14/05/887491405.db2.gz YMXSHZMWRFSLIF-UWVGGRQHSA-N 0 3 298.343 -2.172 20 0 CAADHN CCCNC(=O)CNC[C@H]1CN(C(=O)COC)CCO1 ZINC001368502363 887491633 /nfs/dbraw/zinc/49/16/33/887491633.db2.gz LDRNVTBTUVDLMW-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN Cc1nc(C)c(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)[nH]1 ZINC001368540028 887491686 /nfs/dbraw/zinc/49/16/86/887491686.db2.gz ZPIGGQIBYCXFKS-JTQLQIEISA-N 0 3 295.343 -1.058 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001368602213 887492891 /nfs/dbraw/zinc/49/28/91/887492891.db2.gz WOYUZVARZYTVOH-ZJUUUORDSA-N 0 3 295.343 -1.025 20 0 CAADHN CC(C)N(C)CC(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001368588505 887493174 /nfs/dbraw/zinc/49/31/74/887493174.db2.gz OFOLPWGZURCQSD-UHFFFAOYSA-N 0 3 298.387 -1.275 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)Cn1ncnn1 ZINC001368551555 887493207 /nfs/dbraw/zinc/49/32/07/887493207.db2.gz XYFALEZNQDCVNC-SNVBAGLBSA-N 0 3 297.363 -1.283 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001368602203 887493913 /nfs/dbraw/zinc/49/39/13/887493913.db2.gz WOYUZVARZYTVOH-VHSXEESVSA-N 0 3 295.343 -1.025 20 0 CAADHN CC(=O)NC1(CNCC(=O)NC(N)=O)CCOCC1 ZINC001368622824 887496445 /nfs/dbraw/zinc/49/64/45/887496445.db2.gz ZEYHNTXTWDTQLG-UHFFFAOYSA-N 0 3 272.305 -1.544 20 0 CAADHN NC(=O)NC(=O)CNCC1(O)CCN(C(=O)C2CC2)CC1 ZINC001368678931 887497090 /nfs/dbraw/zinc/49/70/90/887497090.db2.gz UMTZALYVHANTHL-UHFFFAOYSA-N 0 3 298.343 -1.466 20 0 CAADHN C[C@@H](NCC1(O)CCN(C(=O)c2cnon2)CC1)C(N)=O ZINC001368694910 887497497 /nfs/dbraw/zinc/49/74/97/887497497.db2.gz ZBSDVDXVXSANRW-MRVPVSSYSA-N 0 3 297.315 -1.500 20 0 CAADHN COC[C@@H](C)C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001368679885 887497525 /nfs/dbraw/zinc/49/75/25/887497525.db2.gz YXTOUBJHWHJYIQ-SNVBAGLBSA-N 0 3 287.360 -1.303 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC)C1 ZINC001368654159 887497641 /nfs/dbraw/zinc/49/76/41/887497641.db2.gz XHZGCYGMONKPJR-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)Cn2cnnn2)CC1 ZINC001368676111 887497809 /nfs/dbraw/zinc/49/78/09/887497809.db2.gz GKIHYXDTKQZBCQ-UHFFFAOYSA-N 0 3 297.319 -2.899 20 0 CAADHN C[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H](CNCC(N)=O)C1 ZINC001368669180 887497949 /nfs/dbraw/zinc/49/79/49/887497949.db2.gz SHUQBIABVURBDX-KXUCPTDWSA-N 0 3 297.359 -1.630 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cn2ccnc2)CCOCC1 ZINC001368634857 887497991 /nfs/dbraw/zinc/49/79/91/887497991.db2.gz TURYZDCKDVPTND-UHFFFAOYSA-N 0 3 295.343 -1.377 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1C ZINC001368655664 887498032 /nfs/dbraw/zinc/49/80/32/887498032.db2.gz ZIPXHQXGXCTTFJ-SCZZXKLOSA-N 0 3 294.359 -1.080 20 0 CAADHN C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1NCC(=O)NC(N)=O ZINC001368651750 887498087 /nfs/dbraw/zinc/49/80/87/887498087.db2.gz SFVRKXSZEGRCFB-CBAPKCEASA-N 0 3 294.315 -1.345 20 0 CAADHN O=C(c1cn[n-]n1)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001368721735 887498386 /nfs/dbraw/zinc/49/83/86/887498386.db2.gz OSVZTOMVYFVZHS-SNVBAGLBSA-N 0 3 283.332 -1.304 20 0 CAADHN CC(=O)NCC(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001368738619 887499717 /nfs/dbraw/zinc/49/97/17/887499717.db2.gz HOOFLHWKWTVZPC-LLVKDONJSA-N 0 3 284.360 -1.031 20 0 CAADHN CC(=O)NCC(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001368738621 887499889 /nfs/dbraw/zinc/49/98/89/887499889.db2.gz HOOFLHWKWTVZPC-NSHDSACASA-N 0 3 284.360 -1.031 20 0 CAADHN Cn1nncc1C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001368776259 887500133 /nfs/dbraw/zinc/50/01/33/887500133.db2.gz XUCUQSRBNLBSTC-VIFPVBQESA-N 0 3 280.332 -1.115 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@H]1CCC(=O)NC1 ZINC001368764792 887501139 /nfs/dbraw/zinc/50/11/39/887501139.db2.gz KPKVLCAATJIFJI-NSHDSACASA-N 0 3 299.371 -1.552 20 0 CAADHN C[C@@H](NC[C@@H]1CCCCN1C(=O)Cn1cnnn1)C(N)=O ZINC001368775046 887501258 /nfs/dbraw/zinc/50/12/58/887501258.db2.gz CUVFHIAPVXTAHS-ZJUUUORDSA-N 0 3 295.347 -1.482 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001368760644 887501796 /nfs/dbraw/zinc/50/17/96/887501796.db2.gz AYOHMOBCIPUFIQ-WDEREUQCSA-N 0 3 299.371 -1.411 20 0 CAADHN COCC(=O)NC1(CO)CCN(C[C@@H](O)COC)CC1 ZINC001368753704 887502503 /nfs/dbraw/zinc/50/25/03/887502503.db2.gz UUOICSVTRLTFPS-LLVKDONJSA-N 0 3 290.360 -1.417 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N(C)C ZINC001368842939 887504118 /nfs/dbraw/zinc/50/41/18/887504118.db2.gz IHEMDKDKKCLURO-IUCAKERBSA-N 0 3 287.364 -1.514 20 0 CAADHN C[C@@H](NC(=O)Cn1cncn1)[C@H](C)NCC(=O)N(C)C ZINC001368914426 887504452 /nfs/dbraw/zinc/50/44/52/887504452.db2.gz ZDRJRALOCMUJCY-VHSXEESVSA-N 0 3 282.348 -1.151 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCN1CCOCC1 ZINC001368874188 887504917 /nfs/dbraw/zinc/50/49/17/887504917.db2.gz IDYSVGRBAKSMKQ-GHMZBOCLSA-N 0 3 286.376 -1.323 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)NCCF ZINC001368882988 887504946 /nfs/dbraw/zinc/50/49/46/887504946.db2.gz WDRZETVQKRWLNP-HTQZYQBOSA-N 0 3 284.357 -1.508 20 0 CAADHN Cc1nc(CN[C@H](C)[C@@H](C)NC(=O)Cn2ncnn2)n[nH]1 ZINC001368867037 887505156 /nfs/dbraw/zinc/50/51/56/887505156.db2.gz RUBSGWCKPVGJHU-HTQZYQBOSA-N 0 3 293.335 -1.217 20 0 CAADHN C[C@@H](NC(=O)c1ccn(C)n1)[C@H](C)NCC(=O)NC(N)=O ZINC001368910233 887505619 /nfs/dbraw/zinc/50/56/19/887505619.db2.gz KOVMDONMYRTWKA-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN COc1c[nH]c(C(=O)N[C@@H](C)[C@H](C)NCC(N)=O)cc1=O ZINC001368855335 887505671 /nfs/dbraw/zinc/50/56/71/887505671.db2.gz LGTQGFUTMOGSRN-YUMQZZPRSA-N 0 3 296.327 -1.035 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001368848291 887505932 /nfs/dbraw/zinc/50/59/32/887505932.db2.gz LPSVAELFLPYMBJ-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)Cn1cncn1 ZINC001368914420 887506079 /nfs/dbraw/zinc/50/60/79/887506079.db2.gz ZDRJRALOCMUJCY-NXEZZACHSA-N 0 3 282.348 -1.151 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)Cc1ccon1 ZINC001368860350 887506103 /nfs/dbraw/zinc/50/61/03/887506103.db2.gz OPXXVKAGXKVVNR-HTQZYQBOSA-N 0 3 297.315 -1.105 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCC1 ZINC001368831352 887506403 /nfs/dbraw/zinc/50/64/03/887506403.db2.gz HMLRTTOAEXWEIH-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@H](C)[C@H](C)NCCF ZINC001368853130 887506468 /nfs/dbraw/zinc/50/64/68/887506468.db2.gz PARVGHUKHHKKPE-DTWKUNHWSA-N 0 3 290.339 -1.309 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N1CCC1 ZINC001368831349 887507004 /nfs/dbraw/zinc/50/70/04/887507004.db2.gz HMLRTTOAEXWEIH-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001368870131 887507250 /nfs/dbraw/zinc/50/72/50/887507250.db2.gz TWXZDCGZURHROC-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001368874193 887507279 /nfs/dbraw/zinc/50/72/79/887507279.db2.gz IDYSVGRBAKSMKQ-MNOVXSKESA-N 0 3 286.376 -1.323 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@H](C)[C@@H](C)NCCF ZINC001368853134 887507333 /nfs/dbraw/zinc/50/73/33/887507333.db2.gz PARVGHUKHHKKPE-RKDXNWHRSA-N 0 3 290.339 -1.309 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001368899287 887507388 /nfs/dbraw/zinc/50/73/88/887507388.db2.gz RZEKAZCBQNHZMV-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001368870139 887507522 /nfs/dbraw/zinc/50/75/22/887507522.db2.gz TWXZDCGZURHROC-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN Cc1nc(CN[C@H](C)[C@H](C)NC(=O)Cn2ncnn2)n[nH]1 ZINC001368867041 887507595 /nfs/dbraw/zinc/50/75/95/887507595.db2.gz RUBSGWCKPVGJHU-SFYZADRCSA-N 0 3 293.335 -1.217 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001368926950 887509656 /nfs/dbraw/zinc/50/96/56/887509656.db2.gz CJXSCCGDGJOPEK-GARJFASQSA-N 0 3 287.360 -1.291 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)CNC(C)=O ZINC001368930731 887511032 /nfs/dbraw/zinc/51/10/32/887511032.db2.gz MWVYWGIBXFWPES-MWLCHTKSSA-N 0 3 275.349 -1.434 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)Cn1cncn1 ZINC001369002413 887514248 /nfs/dbraw/zinc/51/42/48/887514248.db2.gz YDRGJIQSOYLQMZ-QWRGUYRKSA-N 0 3 285.348 -1.278 20 0 CAADHN CNC(=O)CN(C)[C@@H](C)CNC(=O)CCc1cnn[nH]1 ZINC001368991504 887516161 /nfs/dbraw/zinc/51/61/61/887516161.db2.gz ROUUYAKLBMIYLV-VIFPVBQESA-N 0 3 282.348 -1.080 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cn2cnnn2)CCCCC1 ZINC001369037350 887517176 /nfs/dbraw/zinc/51/71/76/887517176.db2.gz GCJCVQAAYFVMKJ-UHFFFAOYSA-N 0 3 295.347 -1.433 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2CNC(=O)N2)CCCCC1 ZINC001369050396 887519508 /nfs/dbraw/zinc/51/95/08/887519508.db2.gz BPTWBQOMLJHNQT-SECBINFHSA-N 0 3 297.359 -1.438 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2(CCO)CN(CC(N)=O)C2)C1 ZINC001369032348 887519851 /nfs/dbraw/zinc/51/98/51/887519851.db2.gz QZAVASJQUMFQGH-LLVKDONJSA-N 0 3 298.387 -1.634 20 0 CAADHN CCOCC(=O)N1CCO[C@H]([C@@H](C)NCC(N)=O)C1 ZINC001369150786 887521497 /nfs/dbraw/zinc/52/14/97/887521497.db2.gz VICCJJWRMSTAPC-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001369148606 887521637 /nfs/dbraw/zinc/52/16/37/887521637.db2.gz NBYMHVMQDVXXRV-PSASIEDQSA-N 0 3 296.331 -1.881 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001369148623 887523125 /nfs/dbraw/zinc/52/31/25/887523125.db2.gz NBYMHVMQDVXXRV-SCZZXKLOSA-N 0 3 296.331 -1.881 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001369145218 887523158 /nfs/dbraw/zinc/52/31/58/887523158.db2.gz LYUSXLHAJUWAMD-KOLCDFICSA-N 0 3 295.343 -1.025 20 0 CAADHN COC[C@H](O)CN1CC([C@H](C)NC(=O)CNC(C)=O)C1 ZINC001369074553 887523446 /nfs/dbraw/zinc/52/34/46/887523446.db2.gz WNQGUEWNSGJMBE-JOYOIKCWSA-N 0 3 287.360 -1.434 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001369228722 887524482 /nfs/dbraw/zinc/52/44/82/887524482.db2.gz GBTUZCFSAZDVGL-JGVFFNPUSA-N 0 3 279.362 -1.659 20 0 CAADHN C[C@@H](NC[C@H](C1CC1)N(C)C(=O)Cn1cnnn1)C(N)=O ZINC001369202426 887524511 /nfs/dbraw/zinc/52/45/11/887524511.db2.gz IHQPPZKCHPPNLT-PSASIEDQSA-N 0 3 295.347 -1.627 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)NCC(=O)N(C)C ZINC001369243814 887524594 /nfs/dbraw/zinc/52/45/94/887524594.db2.gz ATLHWMZGKIUBEB-BDAKNGLRSA-N 0 3 286.332 -1.381 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCOCC1)N[C@@H](C)C(N)=O ZINC001369245964 887524994 /nfs/dbraw/zinc/52/49/94/887524994.db2.gz SCVRVMZSSYPOQC-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@H](NC[C@@H](C1CC1)N(C)C(=O)Cn1cnnn1)C(N)=O ZINC001369202431 887525042 /nfs/dbraw/zinc/52/50/42/887525042.db2.gz IHQPPZKCHPPNLT-WPRPVWTQSA-N 0 3 295.347 -1.627 20 0 CAADHN CN(C(=O)[C@@H]1CCC(=O)N1C)[C@@H](CNCC(N)=O)C1CC1 ZINC001369223762 887525288 /nfs/dbraw/zinc/52/52/88/887525288.db2.gz WFHZNUBKBZYIQZ-QWRGUYRKSA-N 0 3 296.371 -1.081 20 0 CAADHN CNS(=O)(=O)CCC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001369249462 887525326 /nfs/dbraw/zinc/52/53/26/887525326.db2.gz HAZBWIXMMPKWMP-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN COCCC(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001369221951 887525351 /nfs/dbraw/zinc/52/53/51/887525351.db2.gz QEKYYFFMOJUOQZ-MRVPVSSYSA-N 0 3 274.321 -1.346 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cnnn1)N[C@@H]1CCNC1=O ZINC001369225696 887525410 /nfs/dbraw/zinc/52/54/10/887525410.db2.gz KUWHQRRCPJSJGY-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001369205493 887525838 /nfs/dbraw/zinc/52/58/38/887525838.db2.gz BCDNQXNUUYIMGJ-JTQLQIEISA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)NCC(=O)N(C)C ZINC001369243815 887525948 /nfs/dbraw/zinc/52/59/48/887525948.db2.gz ATLHWMZGKIUBEB-DTWKUNHWSA-N 0 3 286.332 -1.381 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001369158329 887525984 /nfs/dbraw/zinc/52/59/84/887525984.db2.gz WCELOCGRYFGTMO-NXEZZACHSA-N 0 3 295.343 -1.025 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](O)CN(C)CCO ZINC001369502901 887584828 /nfs/dbraw/zinc/58/48/28/887584828.db2.gz DKKDZZCFNMDFBN-SECBINFHSA-N 0 3 276.337 -2.341 20 0 CAADHN C[C@H](CN(C)C(=O)c1cc[nH]n1)NCC(=O)NC(N)=O ZINC001369227149 887526401 /nfs/dbraw/zinc/52/64/01/887526401.db2.gz BIAGWHUPZXIKGA-SSDOTTSWSA-N 0 3 282.304 -1.345 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1nc[n-]n1 ZINC001369216599 887526581 /nfs/dbraw/zinc/52/65/81/887526581.db2.gz PSFZGENXFMBWJR-VIFPVBQESA-N 0 3 280.332 -1.009 20 0 CAADHN C[C@H](CN(C)C(=O)c1ncccn1)NCC(=O)NC(N)=O ZINC001369289539 887528019 /nfs/dbraw/zinc/52/80/19/887528019.db2.gz OQFQCHCOFHSBPF-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)NCC(=O)N(C)C ZINC001369252898 887528362 /nfs/dbraw/zinc/52/83/62/887528362.db2.gz FNRYXLSHRBDUHE-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN COCC(=O)NC[C@@H](CO)NCCn1nc(C)nc1C ZINC001369295709 887529139 /nfs/dbraw/zinc/52/91/39/887529139.db2.gz JQKBWTGDFWXRJW-NSHDSACASA-N 0 3 285.348 -1.392 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001369252253 887529178 /nfs/dbraw/zinc/52/91/78/887529178.db2.gz SHJRXUAIIUVILQ-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CN(C)C(=O)CCCC(N)=O)N[C@@H]1CCNC1=O ZINC001369302162 887529789 /nfs/dbraw/zinc/52/97/89/887529789.db2.gz RCOLIQCEADLENI-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN(C)C(=O)c1coc(C(N)=O)c1)NCC(N)=O ZINC001369269203 887529377 /nfs/dbraw/zinc/52/93/77/887529377.db2.gz QKAUAMZUFFSUQM-SSDOTTSWSA-N 0 3 282.300 -1.086 20 0 CAADHN C[C@@H](CN(C)C(=O)c1coc(C(N)=O)c1)NCC(N)=O ZINC001369269206 887529601 /nfs/dbraw/zinc/52/96/01/887529601.db2.gz QKAUAMZUFFSUQM-ZETCQYMHSA-N 0 3 282.300 -1.086 20 0 CAADHN C[C@H](CN(C)C(=O)CCCC(N)=O)N[C@H]1CCNC1=O ZINC001369302166 887529665 /nfs/dbraw/zinc/52/96/65/887529665.db2.gz RCOLIQCEADLENI-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](CO)NCc1ccccc1 ZINC001369305252 887532086 /nfs/dbraw/zinc/53/20/86/887532086.db2.gz COYYGUBKSUJCND-LBPRGKRZSA-N 0 3 290.327 -1.060 20 0 CAADHN Cn1cccc1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001369310999 887536578 /nfs/dbraw/zinc/53/65/78/887536578.db2.gz KVPYRFRYLKIQHL-NSHDSACASA-N 0 3 292.343 -1.003 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001369319181 887538776 /nfs/dbraw/zinc/53/87/76/887538776.db2.gz BWANLPOVCUALOF-SECBINFHSA-N 0 3 297.363 -1.215 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1cc[nH]c1 ZINC001369330551 887542620 /nfs/dbraw/zinc/54/26/20/887542620.db2.gz NZETWGOZLMZQKJ-NSHDSACASA-N 0 3 278.316 -1.013 20 0 CAADHN CN1CCC[C@H]1C(=O)NC[C@H](CO)NCc1cnnn1C ZINC001369325866 887543271 /nfs/dbraw/zinc/54/32/71/887543271.db2.gz ZNALBFLMKSQAKK-PWSUYJOCSA-N 0 3 296.375 -1.524 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC[C@@H](CO)NCc1cnnn1C ZINC001369325862 887543571 /nfs/dbraw/zinc/54/35/71/887543571.db2.gz ZNALBFLMKSQAKK-CMPLNLGQSA-N 0 3 296.375 -1.524 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NCc1ncnn1C)N(C)C ZINC001369324856 887544012 /nfs/dbraw/zinc/54/40/12/887544012.db2.gz CCTUUZAPLFXOIR-GHMZBOCLSA-N 0 3 298.391 -1.278 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NCc1ncnn1C)N(C)C ZINC001369324857 887544534 /nfs/dbraw/zinc/54/45/34/887544534.db2.gz CCTUUZAPLFXOIR-WDEREUQCSA-N 0 3 298.391 -1.278 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001369335473 887546414 /nfs/dbraw/zinc/54/64/14/887546414.db2.gz MUNLHTLRNOZGFY-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001369335453 887547697 /nfs/dbraw/zinc/54/76/97/887547697.db2.gz MUNLHTLRNOZGFY-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN COc1c[nH]c(C(=O)NC[C@H](CO)NCCO)cc1=O ZINC001369337987 887547971 /nfs/dbraw/zinc/54/79/71/887547971.db2.gz JECUOMRBJNZALU-MRVPVSSYSA-N 0 3 285.300 -1.944 20 0 CAADHN NC(=O)CN[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001369340819 887550831 /nfs/dbraw/zinc/55/08/31/887550831.db2.gz PYGSSAFZMVODJF-DJLDLDEBSA-N 0 3 281.316 -1.935 20 0 CAADHN NC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001369340886 887551435 /nfs/dbraw/zinc/55/14/35/887551435.db2.gz PYGSSAFZMVODJF-IWSPIJDZSA-N 0 3 281.316 -1.935 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](CO)NCCC(F)(F)F)n1 ZINC001369354706 887553306 /nfs/dbraw/zinc/55/33/06/887553306.db2.gz OSSJWVDKYZFNNH-ZCFIWIBFSA-N 0 3 296.253 -1.157 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NCC(=O)NC)N(C)C ZINC001369358518 887554378 /nfs/dbraw/zinc/55/43/78/887554378.db2.gz CJLNDYNIHSHTRW-ZJUUUORDSA-N 0 3 274.365 -1.861 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1ncccn1 ZINC001369360049 887554894 /nfs/dbraw/zinc/55/48/94/887554894.db2.gz CGQGTUSJZBVAFL-JTQLQIEISA-N 0 3 291.315 -1.551 20 0 CAADHN O=C(Cc1ncc[nH]1)NC[C@H](CO)NCCn1cncn1 ZINC001369368574 887556220 /nfs/dbraw/zinc/55/62/20/887556220.db2.gz DIMYENYRKKDICY-SNVBAGLBSA-N 0 3 293.331 -1.689 20 0 CAADHN Cn1nncc1CN[C@@H](CO)CNC(=O)Cc1cnc[nH]1 ZINC001369364579 887557758 /nfs/dbraw/zinc/55/77/58/887557758.db2.gz YDFPAZOWMGGEMN-SNVBAGLBSA-N 0 3 293.331 -1.652 20 0 CAADHN Cn1nncc1CN[C@H](CO)CNC(=O)Cc1cnc[nH]1 ZINC001369364575 887558187 /nfs/dbraw/zinc/55/81/87/887558187.db2.gz YDFPAZOWMGGEMN-JTQLQIEISA-N 0 3 293.331 -1.652 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NCc1cn(C)nn1 ZINC001369372133 887560608 /nfs/dbraw/zinc/56/06/08/887560608.db2.gz HQLMHCFCXAGTTR-GFCCVEGCSA-N 0 3 298.391 -1.278 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NCc1cn(C)nn1 ZINC001369372148 887562596 /nfs/dbraw/zinc/56/25/96/887562596.db2.gz HQLMHCFCXAGTTR-LBPRGKRZSA-N 0 3 298.391 -1.278 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCS(C)(=O)=O ZINC001369383383 887562620 /nfs/dbraw/zinc/56/26/20/887562620.db2.gz FXNXBNXWRIRDOC-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN CN(C)C(=O)CN[C@H](CO)CNC(=O)CN1CCCC1 ZINC001369383963 887563111 /nfs/dbraw/zinc/56/31/11/887563111.db2.gz OCIKIUKXQASQOM-NSHDSACASA-N 0 3 286.376 -1.763 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCNC(N)=O)C1 ZINC001369400426 887564132 /nfs/dbraw/zinc/56/41/32/887564132.db2.gz OSFZEWLJGYYEDZ-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCNC(N)=O)C1 ZINC001369400427 887564280 /nfs/dbraw/zinc/56/42/80/887564280.db2.gz OSFZEWLJGYYEDZ-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2nccnc2N)[C@@H]1C ZINC001369386668 887564502 /nfs/dbraw/zinc/56/45/02/887564502.db2.gz LVFBQPBCKWXEEY-BDAKNGLRSA-N 0 3 292.343 -1.003 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC1(C)C ZINC001369431940 887565081 /nfs/dbraw/zinc/56/50/81/887565081.db2.gz CENMHRCJMNRUQE-BDAKNGLRSA-N 0 3 297.359 -1.760 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001369436345 887565149 /nfs/dbraw/zinc/56/51/49/887565149.db2.gz KYRWPVAGGWHAGZ-QMMMGPOBSA-N 0 3 285.348 -1.773 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NCc1nnnn1C)N(C)C ZINC001369385047 887565185 /nfs/dbraw/zinc/56/51/85/887565185.db2.gz UXCJRUXKRUJMHT-VHSXEESVSA-N 0 3 299.379 -1.883 20 0 CAADHN COCCC(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001369441289 887565867 /nfs/dbraw/zinc/56/58/67/887565867.db2.gz JQWFUWPPEWSPCE-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@H]1C ZINC001369388067 887565888 /nfs/dbraw/zinc/56/58/88/887565888.db2.gz PKJDORYZIJWMKX-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N(C)C)[C@H]1C ZINC001369388064 887565960 /nfs/dbraw/zinc/56/59/60/887565960.db2.gz PKJDORYZIJWMKX-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN COCCC(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001369441296 887566065 /nfs/dbraw/zinc/56/60/65/887566065.db2.gz JQWFUWPPEWSPCE-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001369387783 887566156 /nfs/dbraw/zinc/56/61/56/887566156.db2.gz HHXGXBAZWTUMFV-CBAPKCEASA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cn1cccn1)C(N)=O ZINC001369435938 887566226 /nfs/dbraw/zinc/56/62/26/887566226.db2.gz AZTWWPDLENEIBQ-VHSXEESVSA-N 0 3 283.332 -1.834 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N(C)C)[C@@H]1C ZINC001369388065 887566327 /nfs/dbraw/zinc/56/63/27/887566327.db2.gz PKJDORYZIJWMKX-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN COC(=O)NCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001369430520 887566345 /nfs/dbraw/zinc/56/63/45/887566345.db2.gz AMJJBFQQGBFCMT-QMMMGPOBSA-N 0 3 286.332 -1.346 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](O)CN(C)C(=O)CC ZINC001369440834 887566353 /nfs/dbraw/zinc/56/63/53/887566353.db2.gz ICWXCINLSOGYQK-VIFPVBQESA-N 0 3 288.348 -1.349 20 0 CAADHN COC(=O)NCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001369430519 887566369 /nfs/dbraw/zinc/56/63/69/887566369.db2.gz AMJJBFQQGBFCMT-MRVPVSSYSA-N 0 3 286.332 -1.346 20 0 CAADHN CN(C[C@@H](O)CNCc1cnnn1C)C(=O)c1ccn[nH]1 ZINC001369442490 887566460 /nfs/dbraw/zinc/56/64/60/887566460.db2.gz BVUJVYCIZUDVFP-JTQLQIEISA-N 0 3 293.331 -1.239 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCCC(N)=O)[C@@H]1C ZINC001369412958 887566571 /nfs/dbraw/zinc/56/65/71/887566571.db2.gz YOWCGFGOKWNNPA-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NC[C@H](CO)NCCF ZINC001369390265 887566728 /nfs/dbraw/zinc/56/67/28/887566728.db2.gz ZZGLRBFEDNXCLR-VXGBXAGGSA-N 0 3 291.367 -1.009 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CN(C)C(=O)COC ZINC001369439802 887566904 /nfs/dbraw/zinc/56/69/04/887566904.db2.gz FPDFLZMKESKKHD-MRVPVSSYSA-N 0 3 290.320 -2.503 20 0 CAADHN Cc1[nH]nc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)c1C ZINC001369454767 887567881 /nfs/dbraw/zinc/56/78/81/887567881.db2.gz XRAKGWDXOGYQSO-VHSXEESVSA-N 0 3 297.359 -1.077 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccccn1 ZINC001369447775 887567988 /nfs/dbraw/zinc/56/79/88/887567988.db2.gz BBVYXBHWQJRBSS-QWRGUYRKSA-N 0 3 292.339 -1.007 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)n(C)n1 ZINC001369451168 887568059 /nfs/dbraw/zinc/56/80/59/887568059.db2.gz DAOMYVSFNZVRBC-ZJUUUORDSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001369448079 887568115 /nfs/dbraw/zinc/56/81/15/887568115.db2.gz GANITQUXNXWYBB-LLVKDONJSA-N 0 3 297.359 -1.551 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)[C@H]1CCCO1 ZINC001369453844 887568692 /nfs/dbraw/zinc/56/86/92/887568692.db2.gz LYFOIHIFHHBHFZ-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001369455065 887568799 /nfs/dbraw/zinc/56/87/99/887568799.db2.gz JDIOIHSGNXALJO-SECBINFHSA-N 0 3 298.347 -2.074 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)no1 ZINC001369450954 887568897 /nfs/dbraw/zinc/56/88/97/887568897.db2.gz HISWJRRDEYHMFM-BDAKNGLRSA-N 0 3 284.316 -1.121 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CC[C@@H]1CCCO1 ZINC001369448650 887569104 /nfs/dbraw/zinc/56/91/04/887569104.db2.gz LSSKVFZWGVWBHN-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccon1)C(N)=O ZINC001369455993 887569131 /nfs/dbraw/zinc/56/91/31/887569131.db2.gz PXXJCKSQGOURFN-RKDXNWHRSA-N 0 3 284.316 -1.039 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccnn1C ZINC001369451014 887569270 /nfs/dbraw/zinc/56/92/70/887569270.db2.gz CSUNFBUOGFLLBN-NXEZZACHSA-N 0 3 295.343 -1.669 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CC[C@@H]1CCCO1 ZINC001369448655 887569303 /nfs/dbraw/zinc/56/93/03/887569303.db2.gz LSSKVFZWGVWBHN-QWRGUYRKSA-N 0 3 287.360 -1.160 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cncnc1C ZINC001369454056 887569447 /nfs/dbraw/zinc/56/94/47/887569447.db2.gz WSHBAPZNIXTRDY-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C1=CCOCC1 ZINC001369455839 887569469 /nfs/dbraw/zinc/56/94/69/887569469.db2.gz MSWZIZXMPGKXRJ-CMPLNLGQSA-N 0 3 299.371 -1.124 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccnn1C ZINC001369451020 887569873 /nfs/dbraw/zinc/56/98/73/887569873.db2.gz CSUNFBUOGFLLBN-UWVGGRQHSA-N 0 3 295.343 -1.669 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cncnc1)C(N)=O ZINC001369455018 887569920 /nfs/dbraw/zinc/56/99/20/887569920.db2.gz IWEQUOSFVNMKCH-WCBMZHEXSA-N 0 3 281.316 -1.627 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)n(C)n1 ZINC001369451157 887569965 /nfs/dbraw/zinc/56/99/65/887569965.db2.gz DAOMYVSFNZVRBC-UWVGGRQHSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CC1CCOCC1 ZINC001369453572 887569998 /nfs/dbraw/zinc/56/99/98/887569998.db2.gz UKWSPZLMAAZFCZ-LLVKDONJSA-N 0 3 287.360 -1.303 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cncnc1)C(N)=O ZINC001369455011 887570190 /nfs/dbraw/zinc/57/01/90/887570190.db2.gz IWEQUOSFVNMKCH-PSASIEDQSA-N 0 3 281.316 -1.627 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cncnc1)C(N)=O ZINC001369455015 887570210 /nfs/dbraw/zinc/57/02/10/887570210.db2.gz IWEQUOSFVNMKCH-SCZZXKLOSA-N 0 3 281.316 -1.627 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CC1CCOCC1 ZINC001369453575 887570492 /nfs/dbraw/zinc/57/04/92/887570492.db2.gz UKWSPZLMAAZFCZ-NSHDSACASA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC1(C)C ZINC001369451825 887570560 /nfs/dbraw/zinc/57/05/60/887570560.db2.gz XIJRBRJCXOMHKV-DTWKUNHWSA-N 0 3 298.343 -1.333 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)[C@H]1CCCO1 ZINC001369453842 887570582 /nfs/dbraw/zinc/57/05/82/887570582.db2.gz LYFOIHIFHHBHFZ-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C1=CCOCC1 ZINC001369455841 887570649 /nfs/dbraw/zinc/57/06/49/887570649.db2.gz MSWZIZXMPGKXRJ-JQWIXIFHSA-N 0 3 299.371 -1.124 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)COCC1CC1 ZINC001369452870 887570693 /nfs/dbraw/zinc/57/06/93/887570693.db2.gz UDYXXQGDQSYJOD-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001369444895 887570712 /nfs/dbraw/zinc/57/07/12/887570712.db2.gz OZPQQKLAOFIHDD-LLVKDONJSA-N 0 3 297.359 -1.620 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CC1(C)C ZINC001369451837 887570752 /nfs/dbraw/zinc/57/07/52/887570752.db2.gz XIJRBRJCXOMHKV-IUCAKERBSA-N 0 3 298.343 -1.333 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C1=CCOCC1 ZINC001369455844 887570846 /nfs/dbraw/zinc/57/08/46/887570846.db2.gz MSWZIZXMPGKXRJ-ZYHUDNBSSA-N 0 3 299.371 -1.124 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001369449995 887570864 /nfs/dbraw/zinc/57/08/64/887570864.db2.gz AWSILSDCEWNULO-VHSXEESVSA-N 0 3 273.333 -1.822 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1c[nH]c(C)n1 ZINC001369452892 887570967 /nfs/dbraw/zinc/57/09/67/887570967.db2.gz SXWYVPJGZYFCIQ-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cncnc1C ZINC001369454064 887571011 /nfs/dbraw/zinc/57/10/11/887571011.db2.gz WSHBAPZNIXTRDY-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cnco1 ZINC001369472193 887572112 /nfs/dbraw/zinc/57/21/12/887572112.db2.gz ZQZBZULXMZUHDV-SECBINFHSA-N 0 3 284.316 -1.215 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001369469443 887572126 /nfs/dbraw/zinc/57/21/26/887572126.db2.gz HVKNMSZKBYOSJB-NXEZZACHSA-N 0 3 295.343 -1.366 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CO[C@@H]1CCOC1 ZINC001369465537 887572472 /nfs/dbraw/zinc/57/24/72/887572472.db2.gz HACZRDOBVAPDGE-VHSXEESVSA-N 0 3 289.332 -2.314 20 0 CAADHN Cc1nn(C)c(C)c1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001369467733 887572837 /nfs/dbraw/zinc/57/28/37/887572837.db2.gz DSICJZNVULIURW-JTQLQIEISA-N 0 3 297.359 -1.455 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cc(C)n[nH]1 ZINC001369457900 887572584 /nfs/dbraw/zinc/57/25/84/887572584.db2.gz UTRBFDQBBXBVBF-UWVGGRQHSA-N 0 3 297.359 -1.125 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001369468290 887572614 /nfs/dbraw/zinc/57/26/14/887572614.db2.gz KFVRCPNFQIMSPH-SFYZADRCSA-N 0 3 297.319 -2.879 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001369468526 887572876 /nfs/dbraw/zinc/57/28/76/887572876.db2.gz CTMHCFZQKDOYSF-GXSJLCMTSA-N 0 3 297.359 -1.504 20 0 CAADHN COCC1(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)CC1 ZINC001369468853 887573222 /nfs/dbraw/zinc/57/32/22/887573222.db2.gz OUCMVOODHBODJQ-NXEZZACHSA-N 0 3 287.360 -1.304 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001369468436 887573400 /nfs/dbraw/zinc/57/34/00/887573400.db2.gz GAJNSOHWXUNQFP-MRVPVSSYSA-N 0 3 297.315 -2.049 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CO[C@H]1CCOC1 ZINC001369465534 887573496 /nfs/dbraw/zinc/57/34/96/887573496.db2.gz HACZRDOBVAPDGE-UWVGGRQHSA-N 0 3 289.332 -2.314 20 0 CAADHN CCn1nncc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001369463078 887573539 /nfs/dbraw/zinc/57/35/39/887573539.db2.gz ZVYUOZQNGPABCZ-DTWKUNHWSA-N 0 3 298.347 -1.806 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnc(C)cn1 ZINC001369457352 887573743 /nfs/dbraw/zinc/57/37/43/887573743.db2.gz WTVMMCOGRZNLOK-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001369467387 887573944 /nfs/dbraw/zinc/57/39/44/887573944.db2.gz APJACQAWTIMNEB-QMMMGPOBSA-N 0 3 284.320 -2.085 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369467387 887573956 /nfs/dbraw/zinc/57/39/56/887573956.db2.gz APJACQAWTIMNEB-QMMMGPOBSA-N 0 3 284.320 -2.085 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001369468288 887574012 /nfs/dbraw/zinc/57/40/12/887574012.db2.gz KFVRCPNFQIMSPH-HTQZYQBOSA-N 0 3 297.319 -2.879 20 0 CAADHN CCOC1CC(C(=O)N(C)C[C@H](O)CNCC(N)=O)C1 ZINC001369462283 887574040 /nfs/dbraw/zinc/57/40/40/887574040.db2.gz VPGCRSVFDMOJRO-HSOILSAZSA-N 0 3 287.360 -1.304 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cc(C)n[nH]1 ZINC001369457901 887574132 /nfs/dbraw/zinc/57/41/32/887574132.db2.gz UTRBFDQBBXBVBF-VHSXEESVSA-N 0 3 297.359 -1.125 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)c1ncc[nH]1 ZINC001369458781 887574188 /nfs/dbraw/zinc/57/41/88/887574188.db2.gz DKNJXJNPVGZVCJ-JTQLQIEISA-N 0 3 295.343 -1.336 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001369470998 887574231 /nfs/dbraw/zinc/57/42/31/887574231.db2.gz JKVMCDSBDWHRTA-OPRDCNLKSA-N 0 3 295.343 -1.593 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001369461922 887574252 /nfs/dbraw/zinc/57/42/52/887574252.db2.gz RQBTYBAMMGKCGF-IUCAKERBSA-N 0 3 286.332 -2.593 20 0 CAADHN CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)c1cn[nH]n1 ZINC001369472675 887574280 /nfs/dbraw/zinc/57/42/80/887574280.db2.gz KMJANMMAYONUTQ-JTQLQIEISA-N 0 3 293.331 -1.239 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001369472260 887574346 /nfs/dbraw/zinc/57/43/46/887574346.db2.gz ZTJCSDJOEKAVCN-JYMMUIJESA-N 0 3 297.355 -1.696 20 0 CAADHN Cc1ccnc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001369459196 887574468 /nfs/dbraw/zinc/57/44/68/887574468.db2.gz ZXDSHJNVOUGXJD-VHSXEESVSA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnc(C)cn1 ZINC001369457356 887574492 /nfs/dbraw/zinc/57/44/92/887574492.db2.gz WTVMMCOGRZNLOK-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1ccncn1 ZINC001369462504 887574692 /nfs/dbraw/zinc/57/46/92/887574692.db2.gz KIJVFKRKAZCWRG-NSHDSACASA-N 0 3 295.343 -1.697 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001369463305 887574768 /nfs/dbraw/zinc/57/47/68/887574768.db2.gz AZLKGPJNYZYNGW-VIFPVBQESA-N 0 3 299.335 -2.830 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1ncc[nH]1 ZINC001369460875 887574938 /nfs/dbraw/zinc/57/49/38/887574938.db2.gz NSKKWFVHNMVQLW-VHSXEESVSA-N 0 3 295.343 -1.337 20 0 CAADHN Cc1cn(C)nc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001369473474 887575944 /nfs/dbraw/zinc/57/59/44/887575944.db2.gz UQIYEINJCAHVQM-VHSXEESVSA-N 0 3 297.359 -1.375 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ncccc1F ZINC001369487273 887576054 /nfs/dbraw/zinc/57/60/54/887576054.db2.gz VNEKCVKSFQLPGE-VIFPVBQESA-N 0 3 298.318 -1.011 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)CCn1cnnn1)C(N)=O ZINC001369485769 887576086 /nfs/dbraw/zinc/57/60/86/887576086.db2.gz RUQXRRBHKIQNTK-RKDXNWHRSA-N 0 3 299.335 -2.654 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001369484058 887576403 /nfs/dbraw/zinc/57/64/03/887576403.db2.gz OJYAEQXPLZARLL-ZJUUUORDSA-N 0 3 297.359 -1.504 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001369484056 887576475 /nfs/dbraw/zinc/57/64/75/887576475.db2.gz OJYAEQXPLZARLL-VHSXEESVSA-N 0 3 297.359 -1.504 20 0 CAADHN Cc1cnn(C)c1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001369474719 887576510 /nfs/dbraw/zinc/57/65/10/887576510.db2.gz WYTWMCGSLISHAU-NXEZZACHSA-N 0 3 297.359 -1.375 20 0 CAADHN CCn1cnc(C(=O)N(C)C[C@H](O)CNCC(=O)NC)c1 ZINC001369481068 887576916 /nfs/dbraw/zinc/57/69/16/887576916.db2.gz GKVRCMDKJWBAQA-SNVBAGLBSA-N 0 3 297.359 -1.329 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001369489661 887576954 /nfs/dbraw/zinc/57/69/54/887576954.db2.gz LZTKTHNZQMXGEX-JTQLQIEISA-N 0 3 297.359 -1.171 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C1(C(F)F)CC1 ZINC001369474790 887577261 /nfs/dbraw/zinc/57/72/61/887577261.db2.gz WIJRAXDKKDMDKH-SSDOTTSWSA-N 0 3 279.287 -1.074 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)Cn1ccnc1)C(N)=O ZINC001369485584 887577348 /nfs/dbraw/zinc/57/73/48/887577348.db2.gz DOQUVSHXRVDBDD-MNOVXSKESA-N 0 3 297.359 -1.444 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001369489664 887577507 /nfs/dbraw/zinc/57/75/07/887577507.db2.gz LZTKTHNZQMXGEX-SNVBAGLBSA-N 0 3 297.359 -1.171 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ncccc1F ZINC001369487271 887577656 /nfs/dbraw/zinc/57/76/56/887577656.db2.gz VNEKCVKSFQLPGE-SECBINFHSA-N 0 3 298.318 -1.011 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001369472730 887577957 /nfs/dbraw/zinc/57/79/57/887577957.db2.gz KBPMDHYZUGFUPW-JGVFFNPUSA-N 0 3 287.320 -3.096 20 0 CAADHN Cc1cnn(C)c1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001369474723 887578172 /nfs/dbraw/zinc/57/81/72/887578172.db2.gz WYTWMCGSLISHAU-UWVGGRQHSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001369472733 887578365 /nfs/dbraw/zinc/57/83/65/887578365.db2.gz KBPMDHYZUGFUPW-SFYZADRCSA-N 0 3 287.320 -3.096 20 0 CAADHN Cc1nonc1CC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001369483463 887578653 /nfs/dbraw/zinc/57/86/53/887578653.db2.gz OAGHHEIQMVVJBZ-RKDXNWHRSA-N 0 3 299.331 -1.797 20 0 CAADHN Cc1nonc1CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001369483453 887578753 /nfs/dbraw/zinc/57/87/53/887578753.db2.gz OAGHHEIQMVVJBZ-DTWKUNHWSA-N 0 3 299.331 -1.797 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)Cn1ccnc1)C(N)=O ZINC001369485587 887578840 /nfs/dbraw/zinc/57/88/40/887578840.db2.gz DOQUVSHXRVDBDD-QWRGUYRKSA-N 0 3 297.359 -1.444 20 0 CAADHN CC(C)n1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)cn1 ZINC001369480552 887578989 /nfs/dbraw/zinc/57/89/89/887578989.db2.gz OIDRFSXUVKCDQS-LLVKDONJSA-N 0 3 297.359 -1.028 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001369526295 887580503 /nfs/dbraw/zinc/58/05/03/887580503.db2.gz YMGTYOODTMYWQR-QWRGUYRKSA-N 0 3 287.360 -1.602 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)Cn1ncnn1)C(C)(C)C ZINC001369539161 887580802 /nfs/dbraw/zinc/58/08/02/887580802.db2.gz IJZMOBRLRJBQFY-VIFPVBQESA-N 0 3 297.363 -1.460 20 0 CAADHN CC[C@H](C(=O)N(C)C[C@@H](O)CN(C)CC(N)=O)N(C)C ZINC001369513564 887581198 /nfs/dbraw/zinc/58/11/98/887581198.db2.gz MQSYHNSSHYKEDO-WDEREUQCSA-N 0 3 288.392 -1.437 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)CS(C)(=O)=O ZINC001369545923 887581851 /nfs/dbraw/zinc/58/18/51/887581851.db2.gz UQQMVYUOMIYQST-QMMMGPOBSA-N 0 3 293.389 -1.363 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001369495821 887582713 /nfs/dbraw/zinc/58/27/13/887582713.db2.gz QBZNTDNIMOHXFB-LLVKDONJSA-N 0 3 270.333 -1.374 20 0 CAADHN CC[C@@H](C(=O)N(C)C[C@H](O)CN(C)CC(N)=O)N(C)C ZINC001369513558 887582822 /nfs/dbraw/zinc/58/28/22/887582822.db2.gz MQSYHNSSHYKEDO-MNOVXSKESA-N 0 3 288.392 -1.437 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001369529226 887583004 /nfs/dbraw/zinc/58/30/04/887583004.db2.gz SVULQSWRCHNIHO-JTQLQIEISA-N 0 3 298.343 -1.863 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001369529228 887583522 /nfs/dbraw/zinc/58/35/22/887583522.db2.gz SVULQSWRCHNIHO-SNVBAGLBSA-N 0 3 298.343 -1.863 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001369509435 887583933 /nfs/dbraw/zinc/58/39/33/887583933.db2.gz ZKPMTFUHVYEGFW-MRVPVSSYSA-N 0 3 272.309 -2.433 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001369510207 887583997 /nfs/dbraw/zinc/58/39/97/887583997.db2.gz DULAXFUYXISRJC-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001369526297 887584034 /nfs/dbraw/zinc/58/40/34/887584034.db2.gz YMGTYOODTMYWQR-WDEREUQCSA-N 0 3 287.360 -1.602 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001369509437 887585273 /nfs/dbraw/zinc/58/52/73/887585273.db2.gz ZKPMTFUHVYEGFW-QMMMGPOBSA-N 0 3 272.309 -2.433 20 0 CAADHN C[C@@H](C(=O)N(C)C1CC(NCC(N)=O)C1)S(C)(=O)=O ZINC001369581791 887585958 /nfs/dbraw/zinc/58/59/58/887585958.db2.gz JJUZQGWBKMLQHI-UEJVZZJDSA-N 0 3 291.373 -1.516 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001369738125 887587476 /nfs/dbraw/zinc/58/74/76/887587476.db2.gz RUDXHQVRZJQFFW-NXEZZACHSA-N 0 3 295.347 -1.482 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CCN(C[C@@H](O)COC)C1 ZINC001369954577 887595150 /nfs/dbraw/zinc/59/51/50/887595150.db2.gz BUKQIWPPUQCCIF-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CCC(=O)NCC(=O)N[C@H]1CCN(C[C@@H](O)COC)C1 ZINC001369954617 887596618 /nfs/dbraw/zinc/59/66/18/887596618.db2.gz BUKQIWPPUQCCIF-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001369977339 887597920 /nfs/dbraw/zinc/59/79/20/887597920.db2.gz LITRVJPGUMLJMI-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001370033403 887600097 /nfs/dbraw/zinc/60/00/97/887600097.db2.gz QFNZHZDFGZQOGO-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)Cn1ncnn1)C1CC1)C(N)=O ZINC001370168661 887602261 /nfs/dbraw/zinc/60/22/61/887602261.db2.gz AHYISXPVWCEEIV-VXNVDRBHSA-N 0 3 281.320 -1.969 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)NC1=O ZINC001370216279 887602784 /nfs/dbraw/zinc/60/27/84/887602784.db2.gz SAOZQNYFUNIHRD-IUCAKERBSA-N 0 3 283.332 -2.020 20 0 CAADHN NC(=O)NC(=O)CN[C@@H](CNC(=O)C(F)F)C1CC1 ZINC001370110594 887602846 /nfs/dbraw/zinc/60/28/46/887602846.db2.gz KPFYBLQYGIQPOG-LURJTMIESA-N 0 3 278.259 -1.069 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)CNC(C)=O)C1CC1 ZINC001370126967 887602869 /nfs/dbraw/zinc/60/28/69/887602869.db2.gz LCQFKPOOCLGJNH-LLVKDONJSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)Cn1ncnn1)C1CC1)C(N)=O ZINC001370168648 887603035 /nfs/dbraw/zinc/60/30/35/887603035.db2.gz AHYISXPVWCEEIV-APPZFPTMSA-N 0 3 281.320 -1.969 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001370178203 887603157 /nfs/dbraw/zinc/60/31/57/887603157.db2.gz OMNYSRKWMOAPGX-ZJUUUORDSA-N 0 3 297.359 -1.712 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001370133703 887603232 /nfs/dbraw/zinc/60/32/32/887603232.db2.gz RFNSTPNGRPVGDO-NXEZZACHSA-N 0 3 298.343 -1.285 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](N[C@H](C)C(N)=O)C1CC1 ZINC001370180924 887603270 /nfs/dbraw/zinc/60/32/70/887603270.db2.gz USHZGOQODQTIAK-VXNVDRBHSA-N 0 3 285.348 -1.726 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)NC1=O ZINC001370216272 887603473 /nfs/dbraw/zinc/60/34/73/887603473.db2.gz SAOZQNYFUNIHRD-BDAKNGLRSA-N 0 3 283.332 -2.020 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](N[C@@H](C)C(N)=O)C1CC1 ZINC001370128746 887603574 /nfs/dbraw/zinc/60/35/74/887603574.db2.gz GRPOHWHJDLXIJS-IONNQARKSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@H](C(=O)NC[C@@H](NCC(N)=O)C1CC1)S(C)(=O)=O ZINC001370200433 887603743 /nfs/dbraw/zinc/60/37/43/887603743.db2.gz JBQXMFQYPSKNFG-VXNVDRBHSA-N 0 3 291.373 -1.611 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001370133714 887603782 /nfs/dbraw/zinc/60/37/82/887603782.db2.gz RFNSTPNGRPVGDO-UWVGGRQHSA-N 0 3 298.343 -1.285 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001370271340 887603796 /nfs/dbraw/zinc/60/37/96/887603796.db2.gz HOHDGYKOCVLVHU-VXGBXAGGSA-N 0 3 296.371 -1.033 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001370174606 887603905 /nfs/dbraw/zinc/60/39/05/887603905.db2.gz JSQZYJWYGHMADA-VHSXEESVSA-N 0 3 293.331 -1.954 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](CNC(=O)COC)C1CC1 ZINC001370109623 887603937 /nfs/dbraw/zinc/60/39/37/887603937.db2.gz HATCKEUDBITVER-SECBINFHSA-N 0 3 286.332 -1.427 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001370133724 887603969 /nfs/dbraw/zinc/60/39/69/887603969.db2.gz RFNSTPNGRPVGDO-ZJUUUORDSA-N 0 3 298.343 -1.285 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](N[C@@H](C)C(N)=O)C1CC1 ZINC001370180923 887603993 /nfs/dbraw/zinc/60/39/93/887603993.db2.gz USHZGOQODQTIAK-IONNQARKSA-N 0 3 285.348 -1.726 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1cnn(C)n1)C1CC1 ZINC001370231340 887604034 /nfs/dbraw/zinc/60/40/34/887604034.db2.gz JQGKXOPJGVVQMI-SECBINFHSA-N 0 3 280.332 -1.341 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1)C(N)=O ZINC001370357823 887605001 /nfs/dbraw/zinc/60/50/01/887605001.db2.gz PMWVWTLWHBZHLR-QWRGUYRKSA-N 0 3 296.371 -1.033 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001370348293 887605332 /nfs/dbraw/zinc/60/53/32/887605332.db2.gz LVVJMASSVJKMAF-APPZFPTMSA-N 0 3 299.331 -2.104 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001370358186 887605556 /nfs/dbraw/zinc/60/55/56/887605556.db2.gz YPOPISISLVSOPR-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001370338080 887605705 /nfs/dbraw/zinc/60/57/05/887605705.db2.gz FMLPGMSMEDIAKD-QWRGUYRKSA-N 0 3 282.344 -1.456 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001370390653 887605567 /nfs/dbraw/zinc/60/55/67/887605567.db2.gz OJGXUISKGIKVFQ-VHSXEESVSA-N 0 3 297.359 -1.617 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001370394620 887606095 /nfs/dbraw/zinc/60/60/95/887606095.db2.gz ZRKJDZCVGNKSKR-IUCAKERBSA-N 0 3 293.327 -1.292 20 0 CAADHN CC[C@H](OC)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001370355796 887606131 /nfs/dbraw/zinc/60/61/31/887606131.db2.gz KSAHPDIADWIVQZ-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC001370355574 887606788 /nfs/dbraw/zinc/60/67/88/887606788.db2.gz IMLSATMSQZCDCN-VHSXEESVSA-N 0 3 298.343 -1.059 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001370390646 887606428 /nfs/dbraw/zinc/60/64/28/887606428.db2.gz OJGXUISKGIKVFQ-UWVGGRQHSA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CCCC(N)=O)C1)C(N)=O ZINC001370432545 887608434 /nfs/dbraw/zinc/60/84/34/887608434.db2.gz YOFPVRREXJPZJZ-IUCAKERBSA-N 0 3 270.333 -1.294 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H]1C[C@H](NCC(=O)NC)C1 ZINC001370562268 887611014 /nfs/dbraw/zinc/61/10/14/887611014.db2.gz HBTWQYLYVFNHCT-KYZUINATSA-N 0 3 291.373 -1.596 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](CO)NC(=O)c1cnon1 ZINC001370707437 887630552 /nfs/dbraw/zinc/63/05/52/887630552.db2.gz UZSUNIZRMTXLNA-VIFPVBQESA-N 0 3 299.331 -1.382 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]c1)N(C)C ZINC001370750053 887632222 /nfs/dbraw/zinc/63/22/22/887632222.db2.gz HPYNOBLDHAEGHS-WDEREUQCSA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1cn[nH]c1)N(C)C ZINC001370750050 887632327 /nfs/dbraw/zinc/63/23/27/887632327.db2.gz HPYNOBLDHAEGHS-QWRGUYRKSA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NC(=O)c1ncc[nH]1)N(C)C ZINC001370732168 887632512 /nfs/dbraw/zinc/63/25/12/887632512.db2.gz OBJRJDZCPVVONC-NXEZZACHSA-N 0 3 297.359 -1.043 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](CO)NC(=O)c1cnon1 ZINC001370754008 887633925 /nfs/dbraw/zinc/63/39/25/887633925.db2.gz DBWURZPAEOYAEM-VIFPVBQESA-N 0 3 299.331 -1.382 20 0 CAADHN COCC(=O)N[C@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC001370802050 887638349 /nfs/dbraw/zinc/63/83/49/887638349.db2.gz GGVNZADKYBTHJS-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN CN1CCO[C@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001370911702 887638415 /nfs/dbraw/zinc/63/84/15/887638415.db2.gz ABSWVBRYFSQLOG-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001370896178 887638684 /nfs/dbraw/zinc/63/86/84/887638684.db2.gz AWUJGEPXIZOBQH-SNVBAGLBSA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001370908400 887638861 /nfs/dbraw/zinc/63/88/61/887638861.db2.gz JYDOFRBGUHOADP-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)COC)N(C)C ZINC001370939834 887638954 /nfs/dbraw/zinc/63/89/54/887638954.db2.gz BKHVGKPNVQHDRW-QWRGUYRKSA-N 0 3 289.376 -1.092 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1COC(=O)N1 ZINC001370905200 887639706 /nfs/dbraw/zinc/63/97/06/887639706.db2.gz DYXOKYKNLIMTGZ-DTWKUNHWSA-N 0 3 284.316 -1.449 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CN(C)C(=O)COC)N(C)C ZINC001370939843 887639769 /nfs/dbraw/zinc/63/97/69/887639769.db2.gz BKHVGKPNVQHDRW-WDEREUQCSA-N 0 3 289.376 -1.092 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1COC(=O)N1 ZINC001370908397 887639868 /nfs/dbraw/zinc/63/98/68/887639868.db2.gz JYDOFRBGUHOADP-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001370896167 887639896 /nfs/dbraw/zinc/63/98/96/887639896.db2.gz AWUJGEPXIZOBQH-JTQLQIEISA-N 0 3 270.333 -1.422 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)COC)N(C)C ZINC001370939827 887640111 /nfs/dbraw/zinc/64/01/11/887640111.db2.gz BKHVGKPNVQHDRW-MNOVXSKESA-N 0 3 289.376 -1.092 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001370967569 887643160 /nfs/dbraw/zinc/64/31/60/887643160.db2.gz QHXUHALDEYWIJD-URYVQPGZSA-N 0 3 294.355 -1.554 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N[C@@H](C)C(=O)NC1CC1 ZINC001371108851 887647013 /nfs/dbraw/zinc/64/70/13/887647013.db2.gz WEGLMEGJNJLZCZ-IUCAKERBSA-N 0 3 295.347 -1.566 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001371144696 887647071 /nfs/dbraw/zinc/64/70/71/887647071.db2.gz WJWGWMVCTHXTFW-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@@H](OC)C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001371132813 887647212 /nfs/dbraw/zinc/64/72/12/887647212.db2.gz LXEJULYHTHSUBZ-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC ZINC001371143637 887647695 /nfs/dbraw/zinc/64/76/95/887647695.db2.gz UGMAKGFONBCJAC-DTWKUNHWSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)NC(C)(C)C ZINC001371100226 887647604 /nfs/dbraw/zinc/64/76/04/887647604.db2.gz CXPMLKVQPIZWRD-VIFPVBQESA-N 0 3 297.363 -1.318 20 0 CAADHN COC[C@H](C)C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001371138293 887647950 /nfs/dbraw/zinc/64/79/50/887647950.db2.gz ZWWINAZDGSYKRR-JGVFFNPUSA-N 0 3 274.321 -1.442 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC ZINC001371143639 887648155 /nfs/dbraw/zinc/64/81/55/887648155.db2.gz UGMAKGFONBCJAC-RKDXNWHRSA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CN1CCCC1=O ZINC001371106196 887648301 /nfs/dbraw/zinc/64/83/01/887648301.db2.gz QRYKAHDZEMAYML-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001371140828 887648335 /nfs/dbraw/zinc/64/83/35/887648335.db2.gz OSDHTPJGYXRDOQ-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](CNC(=O)Cc1ccon1)N[C@H](C)C(=O)NC(N)=O ZINC001371142637 887648380 /nfs/dbraw/zinc/64/83/80/887648380.db2.gz FBKLKEPWSSBCNV-HTQZYQBOSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@H](CNC(=O)Cc1cccnc1)NCC(=O)NC(N)=O ZINC001371140416 887648428 /nfs/dbraw/zinc/64/84/28/887648428.db2.gz AYNNMLHQXYYBFH-SECBINFHSA-N 0 3 293.327 -1.087 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCO1 ZINC001371104102 887648726 /nfs/dbraw/zinc/64/87/26/887648726.db2.gz MKZRKYSZWHUIEF-IUCAKERBSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@@H](CNC(=O)CCn1ccnn1)NCC(=O)N(C)C ZINC001371156143 887648844 /nfs/dbraw/zinc/64/88/44/887648844.db2.gz BDENJLAXCCKQTK-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)NCCS(C)(=O)=O ZINC001371103447 887649293 /nfs/dbraw/zinc/64/92/93/887649293.db2.gz QBYXSFFIWYCAPT-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CN1CCCC1=O ZINC001371106211 887649350 /nfs/dbraw/zinc/64/93/50/887649350.db2.gz QRYKAHDZEMAYML-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001371130301 887649454 /nfs/dbraw/zinc/64/94/54/887649454.db2.gz SIAOFJQFZGDOCU-YUMQZZPRSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@@H](CNC(=O)Cc1cccnc1)NCC(=O)NC(N)=O ZINC001371140417 887649590 /nfs/dbraw/zinc/64/95/90/887649590.db2.gz AYNNMLHQXYYBFH-VIFPVBQESA-N 0 3 293.327 -1.087 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)N[C@@H](C)C(N)=O ZINC001371108797 887649640 /nfs/dbraw/zinc/64/96/40/887649640.db2.gz VAUUDBYQVSQRGI-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN COCC(=O)NC[C@H](C)NCc1cc(=O)n(C)c(=O)n1C ZINC001371086472 887649729 /nfs/dbraw/zinc/64/97/29/887649729.db2.gz JWGGIZRTBFHINN-VIFPVBQESA-N 0 3 298.343 -1.675 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CN1CCCC1=O ZINC001371106184 887649941 /nfs/dbraw/zinc/64/99/41/887649941.db2.gz QRYKAHDZEMAYML-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001371140012 887649952 /nfs/dbraw/zinc/64/99/52/887649952.db2.gz OHGVCDQDXFDAKB-ZETCQYMHSA-N 0 3 296.331 -1.369 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCOC1 ZINC001371129150 887649981 /nfs/dbraw/zinc/64/99/81/887649981.db2.gz BRFMVYKDLLSKDV-IUCAKERBSA-N 0 3 286.332 -1.427 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cnnn1C ZINC001371167130 887650794 /nfs/dbraw/zinc/65/07/94/887650794.db2.gz GHMNCXUVAYUNIQ-SSDOTTSWSA-N 0 3 297.319 -2.021 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)NCC(=O)N1CCC1 ZINC001371173632 887652040 /nfs/dbraw/zinc/65/20/40/887652040.db2.gz SMBUEBHITSOELW-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H](CNC(=O)c1cnnn1C)N[C@@H]1CCCNC1=O ZINC001371165797 887652380 /nfs/dbraw/zinc/65/23/80/887652380.db2.gz BBEOLEARBKNOSK-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)CNC(=O)NC ZINC001371207448 887652590 /nfs/dbraw/zinc/65/25/90/887652590.db2.gz OFYQXUBVAJGMLL-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001371249101 887652653 /nfs/dbraw/zinc/65/26/53/887652653.db2.gz AJJAEFWJOILSDR-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCCS(C)(=O)=O ZINC001371165738 887652760 /nfs/dbraw/zinc/65/27/60/887652760.db2.gz AXBNFANVBOZQEJ-JGVFFNPUSA-N 0 3 293.345 -1.766 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCCNC1=O ZINC001371206010 887652797 /nfs/dbraw/zinc/65/27/97/887652797.db2.gz LFAOWFQAFAOOSU-BDAKNGLRSA-N 0 3 285.348 -1.712 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001371201373 887652853 /nfs/dbraw/zinc/65/28/53/887652853.db2.gz LPPLIHRSIVEAKB-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)NCC(=O)NCC1CC1 ZINC001371176765 887652896 /nfs/dbraw/zinc/65/28/96/887652896.db2.gz GSNWVMLWKAJZPD-SECBINFHSA-N 0 3 295.347 -1.706 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)NCC(=O)NC1CC1 ZINC001371175878 887653025 /nfs/dbraw/zinc/65/30/25/887653025.db2.gz ZZWLWPIZQPKOAY-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)NCCS(C)(=O)=O ZINC001371165737 887653309 /nfs/dbraw/zinc/65/33/09/887653309.db2.gz AXBNFANVBOZQEJ-HTQZYQBOSA-N 0 3 293.345 -1.766 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001371360931 887654799 /nfs/dbraw/zinc/65/47/99/887654799.db2.gz FBOBLLSEDQQIHX-AEJSXWLSSA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001371311280 887654884 /nfs/dbraw/zinc/65/48/84/887654884.db2.gz NHYNJVWUFFJIPW-JGVFFNPUSA-N 0 3 283.336 -1.605 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccn2nnnc2c1 ZINC001371304942 887655143 /nfs/dbraw/zinc/65/51/43/887655143.db2.gz GGJWDXOZMNOACZ-QMMMGPOBSA-N 0 3 291.315 -1.422 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCNC1=O)NCC(=O)N(C)C ZINC001371272370 887655175 /nfs/dbraw/zinc/65/51/75/887655175.db2.gz YWOQFZFBJCRERQ-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)N[C@@H](C)C(N)=O ZINC001371304541 887655323 /nfs/dbraw/zinc/65/53/23/887655323.db2.gz FIAXQINUNGVBIF-IUCAKERBSA-N 0 3 285.348 -2.614 20 0 CAADHN C[C@@H](CNC(=O)c1ccnnc1)NCC(=O)NC(N)=O ZINC001371356868 887655455 /nfs/dbraw/zinc/65/54/55/887655455.db2.gz BSIRKIFIYIIBSG-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C(C)(C)CNC(C)=O ZINC001371377387 887656063 /nfs/dbraw/zinc/65/60/63/887656063.db2.gz NFNLXFBZJWUFKU-SECBINFHSA-N 0 3 286.376 -1.011 20 0 CAADHN C[C@H](CNC(=O)CN1CCCNC1=O)NCC(=O)N(C)C ZINC001371272371 887656180 /nfs/dbraw/zinc/65/61/80/887656180.db2.gz YWOQFZFBJCRERQ-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)c1c[nH]c(=O)n1C ZINC001371305711 887656328 /nfs/dbraw/zinc/65/63/28/887656328.db2.gz IZZBIAGLGSZQAA-MRVPVSSYSA-N 0 3 283.332 -1.030 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)NCC(=O)NC1CC1 ZINC001371261588 887656526 /nfs/dbraw/zinc/65/65/26/887656526.db2.gz JOSSQJRSTACHSL-ZJUUUORDSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)COCc1ccnn1C ZINC001371253114 887656837 /nfs/dbraw/zinc/65/68/37/887656837.db2.gz XRFAXHNFJJODSB-SNVBAGLBSA-N 0 3 297.359 -1.223 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001371296833 887656908 /nfs/dbraw/zinc/65/69/08/887656908.db2.gz DOZKVJXDSMWVAB-QMMMGPOBSA-N 0 3 296.331 -1.519 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cnon1 ZINC001371398778 887658101 /nfs/dbraw/zinc/65/81/01/887658101.db2.gz XZLTZPUBMMCBKN-LURJTMIESA-N 0 3 284.276 -1.767 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001371446171 887658584 /nfs/dbraw/zinc/65/85/84/887658584.db2.gz CPMAFZGOCWLULX-BDAKNGLRSA-N 0 3 295.343 -1.248 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N[C@@H]1CCNC1=O ZINC001371447395 887658878 /nfs/dbraw/zinc/65/88/78/887658878.db2.gz FINBAMGAYABMIB-DTWKUNHWSA-N 0 3 293.327 -1.623 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001371444547 887658935 /nfs/dbraw/zinc/65/89/35/887658935.db2.gz QKCVABLDWZINJL-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)Cn1cncn1 ZINC001371450480 887659099 /nfs/dbraw/zinc/65/90/99/887659099.db2.gz OQICTYZRFWCEGC-QMMMGPOBSA-N 0 3 297.319 -2.172 20 0 CAADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)COC)C1)N(C)C ZINC001371447278 887659296 /nfs/dbraw/zinc/65/92/96/887659296.db2.gz UXVNRQNGWSNOPM-GMTAPVOTSA-N 0 3 287.360 -1.339 20 0 CAADHN COC[C@@H](C)CC(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001371404004 887659651 /nfs/dbraw/zinc/65/96/51/887659651.db2.gz MRJCKEVXHOQMQA-IUCAKERBSA-N 0 3 288.348 -1.052 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cn1cncn1)C(=O)N(C)C ZINC001371447357 887659676 /nfs/dbraw/zinc/65/96/76/887659676.db2.gz FEAWJVOQJBTBBL-VHSXEESVSA-N 0 3 282.348 -1.151 20 0 CAADHN C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001371390026 887660041 /nfs/dbraw/zinc/66/00/41/887660041.db2.gz VZJQCUYZYWTSHK-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)CCCC(N)=O)NCC(=O)N(C)C ZINC001371480711 887661172 /nfs/dbraw/zinc/66/11/72/887661172.db2.gz CLEFLJPYRPFZMG-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccc(C(N)=O)cn1 ZINC001371487747 887661681 /nfs/dbraw/zinc/66/16/81/887661681.db2.gz OWEPJFLOMVTYTO-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001371497076 887661872 /nfs/dbraw/zinc/66/18/72/887661872.db2.gz AFXYGWVOCHCRAR-LBPRGKRZSA-N 0 3 296.371 -1.066 20 0 CAADHN COCCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001371485867 887661939 /nfs/dbraw/zinc/66/19/39/887661939.db2.gz FFLKPJXYVKRVDF-QMMMGPOBSA-N 0 3 272.305 -1.592 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)NCC(=O)N1CCC1 ZINC001371451674 887662546 /nfs/dbraw/zinc/66/25/46/887662546.db2.gz UNKKKHIZKSPXRZ-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001371497387 887662608 /nfs/dbraw/zinc/66/26/08/887662608.db2.gz RQXZXYSZYOIHFM-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN Cc1nnc2n1C[C@H](C(=O)NC[C@@H](C)NCC(N)=O)CC2 ZINC001371465372 887662672 /nfs/dbraw/zinc/66/26/72/887662672.db2.gz MUVKGCJANLZNHE-PSASIEDQSA-N 0 3 294.359 -1.271 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001371498986 887662699 /nfs/dbraw/zinc/66/26/99/887662699.db2.gz AQAMUCUUUVXPDY-VIFPVBQESA-N 0 3 286.332 -1.379 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001371499755 887662826 /nfs/dbraw/zinc/66/28/26/887662826.db2.gz FFOSTMWFJTZWFZ-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001371496869 887663153 /nfs/dbraw/zinc/66/31/53/887663153.db2.gz MQKVZTKAXPRXMQ-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001371500027 887663303 /nfs/dbraw/zinc/66/33/03/887663303.db2.gz JIHTYKLFUANBQH-BDAKNGLRSA-N 0 3 292.343 -1.003 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001371495980 887663662 /nfs/dbraw/zinc/66/36/62/887663662.db2.gz BJXRCSCSWQCWII-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001371510477 887664778 /nfs/dbraw/zinc/66/47/78/887664778.db2.gz OJMFIHICUWBDLO-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CC(=O)N1CC[C@H](NCC(N)=O)C1)NC(N)=O ZINC001371512937 887665030 /nfs/dbraw/zinc/66/50/30/887665030.db2.gz PQHUPFPMKGHBRR-SFYZADRCSA-N 0 3 271.321 -1.891 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001371521610 887665617 /nfs/dbraw/zinc/66/56/17/887665617.db2.gz RZMVABYLWCYODY-ZETCQYMHSA-N 0 3 295.303 -1.936 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001371528245 887666298 /nfs/dbraw/zinc/66/62/98/887666298.db2.gz BYCASKYTIKSQRX-VIFPVBQESA-N 0 3 295.347 -1.508 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001371508101 887666366 /nfs/dbraw/zinc/66/63/66/887666366.db2.gz OWMGNCXGCNAQNL-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H](COC)OC)C1 ZINC001371531026 887666457 /nfs/dbraw/zinc/66/64/57/887666457.db2.gz OFUYWRWDSBVJDP-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](CC(=O)N1CC[C@H](NCC(N)=O)C1)NC(N)=O ZINC001371512939 887666567 /nfs/dbraw/zinc/66/65/67/887666567.db2.gz PQHUPFPMKGHBRR-YUMQZZPRSA-N 0 3 271.321 -1.891 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)CN(C)C(C)=O ZINC001371916715 887675514 /nfs/dbraw/zinc/67/55/14/887675514.db2.gz CGDMDXRIZWXEGP-NSHDSACASA-N 0 3 275.349 -1.480 20 0 CAADHN NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001371574351 887668118 /nfs/dbraw/zinc/66/81/18/887668118.db2.gz ABBJWTPHFMTXTN-QMMMGPOBSA-N 0 3 279.300 -1.281 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001371543078 887668503 /nfs/dbraw/zinc/66/85/03/887668503.db2.gz FHNKNESCPUIQKV-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001371534936 887668689 /nfs/dbraw/zinc/66/86/89/887668689.db2.gz SJEPSGMTCVXNHG-QMMMGPOBSA-N 0 3 293.327 -1.336 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCc2cnn(C)n2)C1 ZINC001371534432 887669088 /nfs/dbraw/zinc/66/90/88/887669088.db2.gz PKULSNCZNCVNDB-NSHDSACASA-N 0 3 294.359 -1.316 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)C[C@H]1CCNC1=O ZINC001372000456 887681251 /nfs/dbraw/zinc/68/12/51/887681251.db2.gz VKABZDISALDLEL-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN(C)C[C@@H](C)O ZINC001372053702 887682109 /nfs/dbraw/zinc/68/21/09/887682109.db2.gz OMLHFSQRJIAYEM-MRVPVSSYSA-N 0 3 282.366 -2.531 20 0 CAADHN CN(CCCF)CCNC(=O)CN1CCNC(=O)C1 ZINC001372061441 887682529 /nfs/dbraw/zinc/68/25/29/887682529.db2.gz YGEYWFRKZGMCCG-UHFFFAOYSA-N 0 3 274.340 -1.174 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C1)N(C)C ZINC001372032991 887683275 /nfs/dbraw/zinc/68/32/75/887683275.db2.gz CKIOLAVZRQJFET-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN CCN(CCNC(=O)[C@@H]1COC(=O)N1)C[C@@H](O)COC ZINC001372322106 887692211 /nfs/dbraw/zinc/69/22/11/887692211.db2.gz KLWAIDXQJDSPKL-ZJUUUORDSA-N 0 3 289.332 -1.460 20 0 CAADHN CCN(CCNC(=O)[C@H]1CNC(=O)N1)C[C@@H](O)COC ZINC001372411203 887696530 /nfs/dbraw/zinc/69/65/30/887696530.db2.gz PGORJAUXTIODEX-NXEZZACHSA-N 0 3 288.348 -1.887 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CNC(N)=O)C1 ZINC001372479312 887697324 /nfs/dbraw/zinc/69/73/24/887697324.db2.gz HYEIADPTSRUVKQ-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN Cn1cnnc1COCC(=O)NC[C@H]1CCCN1CCO ZINC001372555943 887700492 /nfs/dbraw/zinc/70/04/92/887700492.db2.gz OQPZPIPIFYYYPJ-LLVKDONJSA-N 0 3 297.359 -1.095 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001372592941 887700671 /nfs/dbraw/zinc/70/06/71/887700671.db2.gz PABZZUZRMDZIDH-NXEZZACHSA-N 0 3 295.347 -1.625 20 0 CAADHN NC(=O)CN1CCC[C@@H]1CNC(=O)CCc1cnn[nH]1 ZINC001372556730 887701312 /nfs/dbraw/zinc/70/13/12/887701312.db2.gz UMDMKVFAHZWMMZ-SNVBAGLBSA-N 0 3 280.332 -1.197 20 0 CAADHN NC(=O)CN1CC[C@@H](CNC(=O)CCc2cn[nH]n2)C1 ZINC001372658672 887702036 /nfs/dbraw/zinc/70/20/36/887702036.db2.gz HVAIXGFRGXKMCI-VIFPVBQESA-N 0 3 280.332 -1.339 20 0 CAADHN NC(=O)CN1CC[C@@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001372658672 887702048 /nfs/dbraw/zinc/70/20/48/887702048.db2.gz HVAIXGFRGXKMCI-VIFPVBQESA-N 0 3 280.332 -1.339 20 0 CAADHN COC[C@@H](O)CN(CCNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001372779198 887708667 /nfs/dbraw/zinc/70/86/67/887708667.db2.gz YSIPTPFPCJZMHS-NWDGAFQWSA-N 0 3 299.371 -1.147 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CN1CCOCC1 ZINC001372938480 887714766 /nfs/dbraw/zinc/71/47/66/887714766.db2.gz JCEDAUJQBZLSHB-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@H](C)OC ZINC001372919732 887714597 /nfs/dbraw/zinc/71/45/97/887714597.db2.gz DZJOVEHVXBOLFY-IUCAKERBSA-N 0 3 288.348 -1.087 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(N)=O ZINC001372943751 887714636 /nfs/dbraw/zinc/71/46/36/887714636.db2.gz HNZCZUCBTAINTO-AEJSXWLSSA-N 0 3 284.360 -1.190 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)Cn2ncnn2)C1=O ZINC001372936708 887714702 /nfs/dbraw/zinc/71/47/02/887714702.db2.gz FLEWHKMEJUGWMR-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001372939644 887715049 /nfs/dbraw/zinc/71/50/49/887715049.db2.gz NPSJZRUGYTXSFK-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN1CCN(C)C(=O)C1)C(N)=O ZINC001372937897 887715225 /nfs/dbraw/zinc/71/52/25/887715225.db2.gz QKMFRUXGQUUHDT-JTQLQIEISA-N 0 3 299.375 -2.318 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CCc1cnn(C)n1 ZINC001372943688 887715712 /nfs/dbraw/zinc/71/57/12/887715712.db2.gz HECZZFOSPOKFPU-LLVKDONJSA-N 0 3 294.359 -1.316 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001372918549 887715997 /nfs/dbraw/zinc/71/59/97/887715997.db2.gz BNESRWLUGUBRTL-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001372940596 887716197 /nfs/dbraw/zinc/71/61/97/887716197.db2.gz MWAKJVCKSJPDNN-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)Cn2cnnn2)C1=O ZINC001372921282 887716567 /nfs/dbraw/zinc/71/65/67/887716567.db2.gz PCEMGEFUWNPCPN-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001372939737 887716914 /nfs/dbraw/zinc/71/69/14/887716914.db2.gz OFGWYZHYFBTDHJ-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001372884654 887717204 /nfs/dbraw/zinc/71/72/04/887717204.db2.gz CMZNWBWHOGSHLM-VIFPVBQESA-N 0 3 297.363 -1.214 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)Cn2cnnn2)C1=O ZINC001372921277 887717417 /nfs/dbraw/zinc/71/74/17/887717417.db2.gz PCEMGEFUWNPCPN-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001372940594 887717613 /nfs/dbraw/zinc/71/76/13/887717613.db2.gz MWAKJVCKSJPDNN-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001372949846 887718619 /nfs/dbraw/zinc/71/86/19/887718619.db2.gz RZCWQPMZRUMHOX-HZMBPMFUSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001372964688 887718767 /nfs/dbraw/zinc/71/87/67/887718767.db2.gz BNESRWLUGUBRTL-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CO[C@H]1CCOC1 ZINC001372947555 887718797 /nfs/dbraw/zinc/71/87/97/887718797.db2.gz ZYBFIWOQHYVOPB-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001372953076 887718926 /nfs/dbraw/zinc/71/89/26/887718926.db2.gz YDYBIWYPBMLNCS-KXUCPTDWSA-N 0 3 282.344 -1.614 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001372956762 887719384 /nfs/dbraw/zinc/71/93/84/887719384.db2.gz ZONBGRNJCKINNZ-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1coc(C(N)=O)c1)C(N)=O ZINC001372949816 887719962 /nfs/dbraw/zinc/71/99/62/887719962.db2.gz QCBJSFXLGWYHMN-SSDOTTSWSA-N 0 3 282.300 -1.086 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CO[C@@H]1CCOC1 ZINC001372947554 887720103 /nfs/dbraw/zinc/72/01/03/887720103.db2.gz ZYBFIWOQHYVOPB-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cc1ncc[nH]1)C(=O)NC(N)=O ZINC001372976377 887720183 /nfs/dbraw/zinc/72/01/83/887720183.db2.gz DCDUQJXRBOUGOI-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cc(C(N)=O)c[nH]1)C(N)=O ZINC001372985360 887720326 /nfs/dbraw/zinc/72/03/26/887720326.db2.gz RCJGPOOUAIXTJP-ZETCQYMHSA-N 0 3 281.316 -1.351 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001372995859 887720388 /nfs/dbraw/zinc/72/03/88/887720388.db2.gz WIAOJRCUTQNUCM-MWLCHTKSSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001372985487 887720568 /nfs/dbraw/zinc/72/05/68/887720568.db2.gz SKNJVFUQLAGMNN-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)N(C)C ZINC001372970475 887720808 /nfs/dbraw/zinc/72/08/08/887720808.db2.gz XEQWJJKUNNMIMU-UWVGGRQHSA-N 0 3 284.360 -1.210 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)c1nnn(C)n1 ZINC001372951677 887721104 /nfs/dbraw/zinc/72/11/04/887721104.db2.gz OPTLUKBCTPNMSP-QMMMGPOBSA-N 0 3 281.320 -1.850 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001372947448 887721137 /nfs/dbraw/zinc/72/11/37/887721137.db2.gz XTRFBZSLQUBKGQ-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)C(N)=O ZINC001372990965 887721246 /nfs/dbraw/zinc/72/12/46/887721246.db2.gz LWJNBWQLJBBOPR-ZETCQYMHSA-N 0 3 297.315 -1.979 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)C(N)=O ZINC001372990961 887721994 /nfs/dbraw/zinc/72/19/94/887721994.db2.gz LWJNBWQLJBBOPR-SSDOTTSWSA-N 0 3 297.315 -1.979 20 0 CAADHN CCCN(C)CC(=O)N[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001373031951 887723053 /nfs/dbraw/zinc/72/30/53/887723053.db2.gz OJRAYNGGWSHZCG-SECBINFHSA-N 0 3 297.363 -1.214 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)CNC(C)=O)C1 ZINC001373139925 887726734 /nfs/dbraw/zinc/72/67/34/887726734.db2.gz QVSRZBPPISYHKU-LLVKDONJSA-N 0 3 284.360 -1.303 20 0 CAADHN Cc1nnc(CC(=O)NCC[C@H]2CCN(CC(N)=O)C2)[nH]1 ZINC001373184264 887727799 /nfs/dbraw/zinc/72/77/99/887727799.db2.gz BZUVBDPHRMSQQI-JTQLQIEISA-N 0 3 294.359 -1.031 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2COCCO2)C1 ZINC001373143601 887729829 /nfs/dbraw/zinc/72/98/29/887729829.db2.gz DETLOMWWUCANQR-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001373345798 887733620 /nfs/dbraw/zinc/73/36/20/887733620.db2.gz FQPCTNAZULUYEA-GUBZILKMSA-N 0 3 297.359 -1.488 20 0 CAADHN CC[C@@H](C(=O)N(C)CCNC(=O)Cn1ncnn1)N(C)C ZINC001373465670 887742549 /nfs/dbraw/zinc/74/25/49/887742549.db2.gz VVRHUZHPQYYTPJ-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN CO[C@@H](C)CC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001374593647 887805159 /nfs/dbraw/zinc/80/51/59/887805159.db2.gz YTFXDQPIYQWJRL-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001373494217 887747526 /nfs/dbraw/zinc/74/75/26/887747526.db2.gz IKGMEWWSQMBNHJ-NEPJUHHUSA-N 0 3 288.344 -1.543 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)CNC(=O)C2CC2)C1 ZINC001373497530 887747691 /nfs/dbraw/zinc/74/76/91/887747691.db2.gz MYZOWYBFARKAEV-LBPRGKRZSA-N 0 3 299.371 -1.432 20 0 CAADHN CN(CCNC(=O)Cn1ccnc1)C(=O)Cc1ncn[nH]1 ZINC001373535263 887749188 /nfs/dbraw/zinc/74/91/88/887749188.db2.gz ZJTLJFLNCFDHMI-UHFFFAOYSA-N 0 3 291.315 -1.182 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001373589561 887751719 /nfs/dbraw/zinc/75/17/19/887751719.db2.gz FLGASWBUJKQNJY-LPEHRKFASA-N 0 3 287.316 -1.707 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001373532308 887751962 /nfs/dbraw/zinc/75/19/62/887751962.db2.gz VCFGCUMAVIUAKV-NEPJUHHUSA-N 0 3 299.371 -1.338 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H]1CCN(CCO)C1 ZINC001373592284 887752951 /nfs/dbraw/zinc/75/29/51/887752951.db2.gz JQUJJRXBMIMBDJ-VIFPVBQESA-N 0 3 279.362 -1.892 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@H]1CCN(CCCO)C1 ZINC001373591868 887753066 /nfs/dbraw/zinc/75/30/66/887753066.db2.gz IHPJSKIVRRBVPH-JTQLQIEISA-N 0 3 293.389 -1.501 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N[C@H]1CCN(CCO)C1 ZINC001373607430 887754115 /nfs/dbraw/zinc/75/41/15/887754115.db2.gz SOXLRDGQHJWQRK-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001373603023 887756020 /nfs/dbraw/zinc/75/60/20/887756020.db2.gz FZMAZVGAZMEKLQ-QJPTWQEYSA-N 0 3 299.371 -1.195 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001373603313 887757309 /nfs/dbraw/zinc/75/73/09/887757309.db2.gz FZMAZVGAZMEKLQ-SDDRHHMPSA-N 0 3 299.371 -1.195 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001373593871 887757977 /nfs/dbraw/zinc/75/79/77/887757977.db2.gz HEXUBWMDLKYIFM-QWRGUYRKSA-N 0 3 296.327 -1.006 20 0 CAADHN C[C@@H](CC(=O)N(C)[C@H]1CCN(CCO)C1)NC(N)=O ZINC001373669284 887759816 /nfs/dbraw/zinc/75/98/16/887759816.db2.gz YVTKZQPUAPGFNM-UWVGGRQHSA-N 0 3 272.349 -1.042 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 ZINC001373667902 887759995 /nfs/dbraw/zinc/75/99/95/887759995.db2.gz UJEJPLQEKMXXBB-MNOVXSKESA-N 0 3 297.359 -1.031 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001373649023 887760312 /nfs/dbraw/zinc/76/03/12/887760312.db2.gz UKDVKKVIFKTQJK-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)[C@H]1CCCN1C ZINC001373645717 887761594 /nfs/dbraw/zinc/76/15/94/887761594.db2.gz PGBGFOIFEOWUCP-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001373641488 887762019 /nfs/dbraw/zinc/76/20/19/887762019.db2.gz UUDOICPBQKKIIR-SNVBAGLBSA-N 0 3 280.332 -1.326 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)c2cnnn2C)C1 ZINC001373667909 887762551 /nfs/dbraw/zinc/76/25/51/887762551.db2.gz UJEJPLQEKMXXBB-WDEREUQCSA-N 0 3 297.359 -1.031 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001373656147 887762815 /nfs/dbraw/zinc/76/28/15/887762815.db2.gz HNXFMEBZIVXJMW-MNOVXSKESA-N 0 3 298.347 -1.787 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001373666895 887763587 /nfs/dbraw/zinc/76/35/87/887763587.db2.gz OSPVNTKERYGMCI-MNOVXSKESA-N 0 3 297.359 -1.031 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 ZINC001373667899 887763795 /nfs/dbraw/zinc/76/37/95/887763795.db2.gz UJEJPLQEKMXXBB-GHMZBOCLSA-N 0 3 297.359 -1.031 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001373637268 887763964 /nfs/dbraw/zinc/76/39/64/887763964.db2.gz IHYMWGWNNQJGDP-OPRDCNLKSA-N 0 3 286.332 -2.134 20 0 CAADHN CC[C@H](CNC(=O)CN1CCOCC1)N[C@H](C)C(N)=O ZINC001373740146 887765175 /nfs/dbraw/zinc/76/51/75/887765175.db2.gz GRQWWLZAVNTZNO-GHMZBOCLSA-N 0 3 286.376 -1.323 20 0 CAADHN CC[C@@H](CNC(=O)CN(C)C(C)=O)N[C@@H](C)C(N)=O ZINC001373726133 887765061 /nfs/dbraw/zinc/76/50/61/887765061.db2.gz BZHLZXSKKASFJR-WPRPVWTQSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)COC)NCC(=O)NC(N)=O ZINC001373739563 887765323 /nfs/dbraw/zinc/76/53/23/887765323.db2.gz QFWQNGIYZBSNQK-BDAKNGLRSA-N 0 3 288.348 -1.052 20 0 CAADHN CC[C@H](CNC(=O)[C@]12C[C@H]1COC2)NCC(=O)NC(N)=O ZINC001373754903 887765574 /nfs/dbraw/zinc/76/55/74/887765574.db2.gz SUFQQDJBCQBOAF-RWEMILLDSA-N 0 3 298.343 -1.298 20 0 CAADHN CCCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CNC(=O)N1 ZINC001373790582 887765936 /nfs/dbraw/zinc/76/59/36/887765936.db2.gz LZASIWINLKAIFH-VHSXEESVSA-N 0 3 299.375 -1.322 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)NCC(=O)NC ZINC001373800068 887766354 /nfs/dbraw/zinc/76/63/54/887766354.db2.gz AHPKEWDORHDYCP-SFYZADRCSA-N 0 3 299.331 -2.185 20 0 CAADHN CC[C@H](CNC(=O)CN(C)C(C)=O)N[C@H](C)C(N)=O ZINC001373726130 887766536 /nfs/dbraw/zinc/76/65/36/887766536.db2.gz BZHLZXSKKASFJR-PSASIEDQSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)NCC(=O)NC ZINC001373738805 887767051 /nfs/dbraw/zinc/76/70/51/887767051.db2.gz GXDOBODXTZZBSV-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@H](CNC(=O)CN1CCCC1=O)N[C@H]1CCNC1=O ZINC001373728394 887767495 /nfs/dbraw/zinc/76/74/95/887767495.db2.gz LEJALXWLDGCYEC-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)NCC(=O)NC ZINC001373798567 887767698 /nfs/dbraw/zinc/76/76/98/887767698.db2.gz SMLKABWPBWPSLQ-QMMMGPOBSA-N 0 3 295.343 -1.042 20 0 CAADHN CCCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001373790583 887767817 /nfs/dbraw/zinc/76/78/17/887767817.db2.gz LZASIWINLKAIFH-ZJUUUORDSA-N 0 3 299.375 -1.322 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001373960045 887769419 /nfs/dbraw/zinc/76/94/19/887769419.db2.gz XNWXXVNINIRBGB-GMTAPVOTSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)c1cnn(C)n1 ZINC001373968135 887769484 /nfs/dbraw/zinc/76/94/84/887769484.db2.gz FJCVBGIIEOXYGB-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)NC1=O ZINC001373966053 887769823 /nfs/dbraw/zinc/76/98/23/887769823.db2.gz SOYDQEUSJGVWKL-BDAKNGLRSA-N 0 3 283.332 -1.924 20 0 CAADHN CC[C@@H](CNC(=O)CS(=O)(=O)NC)N[C@@H](C)C(N)=O ZINC001373824316 887770256 /nfs/dbraw/zinc/77/02/56/887770256.db2.gz FJPMOSBIEWRJMD-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN CC[C@H](CNC(=O)CN1CCC(=O)NC1=O)NCC(N)=O ZINC001373814328 887770418 /nfs/dbraw/zinc/77/04/18/887770418.db2.gz KWJOJLGVPBFXOQ-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CNC(C)=O ZINC001373948957 887770563 /nfs/dbraw/zinc/77/05/63/887770563.db2.gz AHLNNKXLYKSEIL-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CCOCC(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O ZINC001373954906 887770981 /nfs/dbraw/zinc/77/09/81/887770981.db2.gz NNEYJANMOGLKKH-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCC(=O)NC1=O)NCC(N)=O ZINC001373814332 887771055 /nfs/dbraw/zinc/77/10/55/887771055.db2.gz KWJOJLGVPBFXOQ-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN Cn1cnc(C(=O)N[C@](C)(CNCC(N)=O)C2CC2)n1 ZINC001373876385 887771132 /nfs/dbraw/zinc/77/11/32/887771132.db2.gz PEWXAIOCWJYEQC-GFCCVEGCSA-N 0 3 280.332 -1.212 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001373966868 887771199 /nfs/dbraw/zinc/77/11/99/887771199.db2.gz ZVGIWZROEUPXMW-SECBINFHSA-N 0 3 295.347 -1.460 20 0 CAADHN CC[C@@H](CNC(=O)CS(=O)(=O)C(C)C)NCC(N)=O ZINC001373826049 887771244 /nfs/dbraw/zinc/77/12/44/887771244.db2.gz ROMWFAQQDMGRGQ-VIFPVBQESA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@H](CNC(=O)CS(=O)(=O)NC)N[C@@H](C)C(N)=O ZINC001373824314 887771472 /nfs/dbraw/zinc/77/14/72/887771472.db2.gz FJPMOSBIEWRJMD-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN Cn1ncc(C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)n1 ZINC001373893527 887772165 /nfs/dbraw/zinc/77/21/65/887772165.db2.gz KDVIEWBHAXOMIZ-LBPRGKRZSA-N 0 3 280.332 -1.212 20 0 CAADHN NC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC001373959944 887772203 /nfs/dbraw/zinc/77/22/03/887772203.db2.gz VVKXKGDWJLETET-VHSXEESVSA-N 0 3 298.343 -1.202 20 0 CAADHN CC[C@H](CNC(=O)CS(=O)(=O)C(C)C)NCC(N)=O ZINC001373826046 887772425 /nfs/dbraw/zinc/77/24/25/887772425.db2.gz ROMWFAQQDMGRGQ-SECBINFHSA-N 0 3 293.389 -1.221 20 0 CAADHN COCCC(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001374196289 887775999 /nfs/dbraw/zinc/77/59/99/887775999.db2.gz LVLYXMDZRJULDO-QMMMGPOBSA-N 0 3 274.321 -1.346 20 0 CAADHN CS(=O)(=O)CC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001374152760 887779030 /nfs/dbraw/zinc/77/90/30/887779030.db2.gz OJNMLISRRXDJBZ-UHFFFAOYSA-N 0 3 291.373 -1.465 20 0 CAADHN CN(CC(=O)NC[C@H]1CN(CC(N)=O)CCO1)C1CCC1 ZINC001374133181 887779063 /nfs/dbraw/zinc/77/90/63/887779063.db2.gz VBPWNOAFHOJCHU-LBPRGKRZSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1nccnc1N ZINC001374210390 887780094 /nfs/dbraw/zinc/78/00/94/887780094.db2.gz ZXKJWJIYSXMWPF-IUCAKERBSA-N 0 3 292.343 -1.003 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CN1CCNC(=O)C1 ZINC001374269592 887780241 /nfs/dbraw/zinc/78/02/41/887780241.db2.gz QJWNTTFFJPQFAY-ZJUUUORDSA-N 0 3 299.375 -2.272 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1nccnc1N ZINC001374210388 887780347 /nfs/dbraw/zinc/78/03/47/887780347.db2.gz ZXKJWJIYSXMWPF-DTWKUNHWSA-N 0 3 292.343 -1.003 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CNC(=O)OC ZINC001374202558 887780665 /nfs/dbraw/zinc/78/06/65/887780665.db2.gz MZTCIQUNTNSZKH-QMMMGPOBSA-N 0 3 274.321 -1.475 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCCS(C)(=O)=O ZINC001374294434 887780806 /nfs/dbraw/zinc/78/08/06/887780806.db2.gz NXRCRTPWFJLJCS-VIFPVBQESA-N 0 3 293.389 -1.267 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001374284664 887780891 /nfs/dbraw/zinc/78/08/91/887780891.db2.gz DKULIXFGBDURST-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001374225937 887781054 /nfs/dbraw/zinc/78/10/54/887781054.db2.gz OUUSTMMFLINXJX-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001374279214 887781163 /nfs/dbraw/zinc/78/11/63/887781163.db2.gz IZQXRFUGNKBFTM-SSDOTTSWSA-N 0 3 281.316 -1.351 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001374208894 887781190 /nfs/dbraw/zinc/78/11/90/887781190.db2.gz VUBBHYOYHLMLJU-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001374256309 887781382 /nfs/dbraw/zinc/78/13/82/887781382.db2.gz ZIEZITFEACVXCV-NOZJJQNGSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ccncn1 ZINC001374306015 887781446 /nfs/dbraw/zinc/78/14/46/887781446.db2.gz YZVOLRSIHFZHKR-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CN1CCNC(=O)C1 ZINC001374269589 887781540 /nfs/dbraw/zinc/78/15/40/887781540.db2.gz QJWNTTFFJPQFAY-NXEZZACHSA-N 0 3 299.375 -2.272 20 0 CAADHN Cc1nc(CNC[C@@H](C)N(C)C(=O)c2nnn(C)n2)n[nH]1 ZINC001374270273 887781647 /nfs/dbraw/zinc/78/16/47/887781647.db2.gz FRQTXWUAANDIMZ-SSDOTTSWSA-N 0 3 293.335 -1.113 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001374280123 887782135 /nfs/dbraw/zinc/78/21/35/887782135.db2.gz YVOYEPRLVOUQHM-WCBMZHEXSA-N 0 3 297.359 -1.617 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001374289728 887782222 /nfs/dbraw/zinc/78/22/22/887782222.db2.gz XKKQILBKCJUJBJ-HTQZYQBOSA-N 0 3 271.321 -2.150 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@@H](C)CN[C@@H]1CCNC1=O ZINC001374220663 887782367 /nfs/dbraw/zinc/78/23/67/887782367.db2.gz MIVDOOQLABXUHN-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCn1cnccc1=O ZINC001374302479 887782878 /nfs/dbraw/zinc/78/28/78/887782878.db2.gz LLCMEISXZFAQIX-JTQLQIEISA-N 0 3 295.343 -1.445 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001374256311 887782900 /nfs/dbraw/zinc/78/29/00/887782900.db2.gz ZIEZITFEACVXCV-RNCFNFMXSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001374280124 887782958 /nfs/dbraw/zinc/78/29/58/887782958.db2.gz YVOYEPRLVOUQHM-WPRPVWTQSA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001374284222 887783020 /nfs/dbraw/zinc/78/30/20/887783020.db2.gz TVIWWPSTMBQZJX-AXFHLTTASA-N 0 3 296.371 -1.223 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001374284661 887783156 /nfs/dbraw/zinc/78/31/56/887783156.db2.gz DKULIXFGBDURST-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)N(C)C(=O)CCNC(N)=O ZINC001374319704 887784951 /nfs/dbraw/zinc/78/49/51/887784951.db2.gz GVMQPKVEJMADBE-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(C)[C@@H](CNC(=O)CCNC(N)=O)NCC(N)=O ZINC001374448687 887784991 /nfs/dbraw/zinc/78/49/91/887784991.db2.gz RAPUYZDDTKDVKV-MRVPVSSYSA-N 0 3 273.337 -1.740 20 0 CAADHN CC(C)[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H](C)C(N)=O ZINC001374441419 887785379 /nfs/dbraw/zinc/78/53/79/887785379.db2.gz FGQZDAUVSQUVAK-DTWKUNHWSA-N 0 3 282.348 -1.049 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)c1ncn(C)n1 ZINC001374485696 887785449 /nfs/dbraw/zinc/78/54/49/887785449.db2.gz CTVKNMAJEFMSRM-JTQLQIEISA-N 0 3 285.348 -1.174 20 0 CAADHN CC(C)[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H]1CCNC1=O ZINC001374444232 887787010 /nfs/dbraw/zinc/78/70/10/887787010.db2.gz XZYMIWLITKGGHE-ZJUUUORDSA-N 0 3 294.359 -1.034 20 0 CAADHN CC(C)[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H]1CCNC1=O ZINC001374444230 887787188 /nfs/dbraw/zinc/78/71/88/887787188.db2.gz XZYMIWLITKGGHE-UWVGGRQHSA-N 0 3 294.359 -1.034 20 0 CAADHN C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNCC(N)=O ZINC001374392556 887787322 /nfs/dbraw/zinc/78/73/22/887787322.db2.gz BOWRFLVHYIJNPZ-VHSXEESVSA-N 0 3 299.375 -1.253 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)CNC(=O)OC ZINC001374466922 887787801 /nfs/dbraw/zinc/78/78/01/887787801.db2.gz GZOQTEUGFRVMPG-SNVBAGLBSA-N 0 3 291.348 -1.260 20 0 CAADHN C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNCC(N)=O ZINC001374392557 887787915 /nfs/dbraw/zinc/78/79/15/887787915.db2.gz BOWRFLVHYIJNPZ-ZJUUUORDSA-N 0 3 299.375 -1.253 20 0 CAADHN CC(C)[C@H](CNC(=O)c1cc(=O)n(C)cn1)NCC(N)=O ZINC001374423836 887788089 /nfs/dbraw/zinc/78/80/89/887788089.db2.gz MPEBCXPXPYUIDQ-JTQLQIEISA-N 0 3 295.343 -1.390 20 0 CAADHN CC(C)[C@H](CNC(=O)Cn1ncn(C)c1=O)NCC(N)=O ZINC001374463382 887788303 /nfs/dbraw/zinc/78/83/03/887788303.db2.gz VCWZVYWCMAAZPW-VIFPVBQESA-N 0 3 298.347 -2.203 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)Cn1cnnn1)C(C)C ZINC001374413298 887788769 /nfs/dbraw/zinc/78/87/69/887788769.db2.gz YEYMBUCYSOLAFS-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@H]1CCN(C2CCC2)C1=O ZINC001374568535 887790175 /nfs/dbraw/zinc/79/01/75/887790175.db2.gz JQBXBMLWWZGBMM-NEPJUHHUSA-N 0 3 299.371 -1.147 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1CCOCC1)N1CCC1 ZINC001374565604 887791258 /nfs/dbraw/zinc/79/12/58/887791258.db2.gz KTPJWMRZEPIRNC-GFCCVEGCSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C(F)F ZINC001374567255 887792087 /nfs/dbraw/zinc/79/20/87/887792087.db2.gz QQPHPKFKKYJFIN-YFKPBYRVSA-N 0 3 282.247 -2.226 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@@H]1CCN(C2CCC2)C1=O ZINC001374568552 887792381 /nfs/dbraw/zinc/79/23/81/887792381.db2.gz JQBXBMLWWZGBMM-VXGBXAGGSA-N 0 3 299.371 -1.147 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCC(=O)N(C)C(C)C ZINC001374565761 887792527 /nfs/dbraw/zinc/79/25/27/887792527.db2.gz CZZIJCFMGKTKCQ-JTQLQIEISA-N 0 3 275.349 -1.434 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cnccn2)n[nH]1 ZINC001374576562 887794634 /nfs/dbraw/zinc/79/46/34/887794634.db2.gz IXWLHPQGKHOMPT-VIFPVBQESA-N 0 3 291.315 -1.216 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)C1CCOCC1 ZINC001374572990 887795205 /nfs/dbraw/zinc/79/52/05/887795205.db2.gz OFEBRIKHTUDZLJ-GHMZBOCLSA-N 0 3 285.344 -1.632 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1ccsc1 ZINC001374578587 887796023 /nfs/dbraw/zinc/79/60/23/887796023.db2.gz XMFAFEVNTCDVTI-VIFPVBQESA-N 0 3 271.342 -1.157 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001374581518 887796085 /nfs/dbraw/zinc/79/60/85/887796085.db2.gz DSSFVTUNXPOROO-ZJUUUORDSA-N 0 3 273.333 -1.774 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C(C)C ZINC001374572305 887796642 /nfs/dbraw/zinc/79/66/42/887796642.db2.gz SXBZQFYRTPUZTK-GHMZBOCLSA-N 0 3 289.376 -1.045 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001374577959 887796812 /nfs/dbraw/zinc/79/68/12/887796812.db2.gz TTZYEXPHQZAACE-SCZZXKLOSA-N 0 3 288.348 -2.286 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1=COCCO1)N1CCC1 ZINC001374574213 887796858 /nfs/dbraw/zinc/79/68/58/887796858.db2.gz BJDCDHHJNRHXGB-SNVBAGLBSA-N 0 3 299.327 -1.826 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001374580570 887797060 /nfs/dbraw/zinc/79/70/60/887797060.db2.gz JKHOIMIQCGJYLM-LLVKDONJSA-N 0 3 297.359 -1.375 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cncnc1C ZINC001374581664 887797170 /nfs/dbraw/zinc/79/71/70/887797170.db2.gz DZYMLAVUZODGQS-JTQLQIEISA-N 0 3 295.343 -1.399 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001374574897 887797516 /nfs/dbraw/zinc/79/75/16/887797516.db2.gz VXFORHLSSMBTSI-VIFPVBQESA-N 0 3 274.321 -2.723 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C(C)C ZINC001374580237 887797664 /nfs/dbraw/zinc/79/76/64/887797664.db2.gz LIMXVAAHLSEZLY-SECBINFHSA-N 0 3 288.348 -1.445 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](O)CNCc1ccccn1 ZINC001374582813 887798464 /nfs/dbraw/zinc/79/84/64/887798464.db2.gz QCQFHIWQVTUISE-NSHDSACASA-N 0 3 291.315 -1.665 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccon1)C(=O)N(C)C ZINC001374584957 887799468 /nfs/dbraw/zinc/79/94/68/887799468.db2.gz QFDDGWJTOMFTJM-IUCAKERBSA-N 0 3 284.316 -1.168 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2ccn[nH]2)C1=O ZINC001374585603 887799620 /nfs/dbraw/zinc/79/96/20/887799620.db2.gz KGMCXOSXIWUROI-WCBMZHEXSA-N 0 3 281.316 -1.679 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)CN(C)C(C)=O)C(N)=O ZINC001374586984 887799927 /nfs/dbraw/zinc/79/99/27/887799927.db2.gz NNSBKCMZBGTLGN-UWVGGRQHSA-N 0 3 288.348 -2.205 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1cn[nH]c1 ZINC001374586058 887799965 /nfs/dbraw/zinc/79/99/65/887799965.db2.gz LDQJKNILNZUHRC-NXEZZACHSA-N 0 3 281.316 -1.631 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)Cn1cccn1 ZINC001374584427 887800016 /nfs/dbraw/zinc/80/00/16/887800016.db2.gz XMJXHABAQDLZHB-LBPRGKRZSA-N 0 3 292.343 -1.117 20 0 CAADHN Cc1cnn(CC(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)c1 ZINC001374584768 887800136 /nfs/dbraw/zinc/80/01/36/887800136.db2.gz PHWKGWXYLGUQBC-GHMZBOCLSA-N 0 3 295.343 -1.853 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)CSC ZINC001374587036 887800265 /nfs/dbraw/zinc/80/02/65/887800265.db2.gz AWXBCLCEXRVHPY-DTWKUNHWSA-N 0 3 277.390 -1.202 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cn1cnnn1)C(=O)N(C)C ZINC001374585187 887800438 /nfs/dbraw/zinc/80/04/38/887800438.db2.gz YCPRLIYAUSCBPO-DTWKUNHWSA-N 0 3 299.335 -2.784 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001374585021 887800564 /nfs/dbraw/zinc/80/05/64/887800564.db2.gz IWOBOXOFITYACE-MNOVXSKESA-N 0 3 295.343 -1.289 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cn1cnnn1)C(=O)N(C)C ZINC001374585178 887800695 /nfs/dbraw/zinc/80/06/95/887800695.db2.gz YCPRLIYAUSCBPO-BDAKNGLRSA-N 0 3 299.335 -2.784 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)[C@H]1CCOC1)C1CC1 ZINC001374583565 887800987 /nfs/dbraw/zinc/80/09/87/887800987.db2.gz LOMAYAZGPKKXCI-JQWIXIFHSA-N 0 3 299.371 -1.290 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n(C)n1 ZINC001374586364 887801063 /nfs/dbraw/zinc/80/10/63/887801063.db2.gz YDUNKJVUPWHMKR-UWVGGRQHSA-N 0 3 295.343 -1.703 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1cc(C)on1 ZINC001374585961 887801236 /nfs/dbraw/zinc/80/12/36/887801236.db2.gz FCNZBNXBCFXZEG-NSHDSACASA-N 0 3 298.343 -1.272 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)CSC ZINC001374587039 887801378 /nfs/dbraw/zinc/80/13/78/887801378.db2.gz AWXBCLCEXRVHPY-RKDXNWHRSA-N 0 3 277.390 -1.202 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n(C)n1 ZINC001374586366 887801434 /nfs/dbraw/zinc/80/14/34/887801434.db2.gz YDUNKJVUPWHMKR-VHSXEESVSA-N 0 3 295.343 -1.703 20 0 CAADHN CC(C)OCC(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001374583968 887801567 /nfs/dbraw/zinc/80/15/67/887801567.db2.gz MRWPABLZRFSCJR-QWRGUYRKSA-N 0 3 287.360 -1.291 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCOC1)C1CC1 ZINC001374583568 887801812 /nfs/dbraw/zinc/80/18/12/887801812.db2.gz LOMAYAZGPKKXCI-ZYHUDNBSSA-N 0 3 299.371 -1.290 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccon1)N1CCC1 ZINC001374583640 887801883 /nfs/dbraw/zinc/80/18/83/887801883.db2.gz LZPCZUWYUSONDU-VIFPVBQESA-N 0 3 282.300 -1.413 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1=O ZINC001374585602 887801932 /nfs/dbraw/zinc/80/19/32/887801932.db2.gz KGMCXOSXIWUROI-SCZZXKLOSA-N 0 3 281.316 -1.679 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)C1=COCCC1 ZINC001374593030 887803334 /nfs/dbraw/zinc/80/33/34/887803334.db2.gz WPZRJIDBZDXGDW-LLVKDONJSA-N 0 3 285.344 -1.117 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1nnn(C)c1C ZINC001374589247 887803678 /nfs/dbraw/zinc/80/36/78/887803678.db2.gz PNCPDEXCKXHSSF-APPZFPTMSA-N 0 3 298.347 -2.062 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)C2=CCOCC2)C1=O ZINC001374594048 887803733 /nfs/dbraw/zinc/80/37/33/887803733.db2.gz JDKLMGYIRYHMLA-VXGBXAGGSA-N 0 3 297.355 -1.370 20 0 CAADHN O=C(CNC(=O)C1CC1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001374588548 887803764 /nfs/dbraw/zinc/80/37/64/887803764.db2.gz UXCKQDSFZAMTNP-ZJUUUORDSA-N 0 3 298.343 -2.532 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)C2=CCOCC2)C1=O ZINC001374594047 887803934 /nfs/dbraw/zinc/80/39/34/887803934.db2.gz JDKLMGYIRYHMLA-RYUDHWBXSA-N 0 3 297.355 -1.370 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CN[C@H](C)C(=O)NC ZINC001374591433 887804034 /nfs/dbraw/zinc/80/40/34/887804034.db2.gz RCIYGRABIOVAEB-RKDXNWHRSA-N 0 3 288.348 -2.286 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCC(F)(F)F ZINC001374589943 887804101 /nfs/dbraw/zinc/80/41/01/887804101.db2.gz SCKRNTBJMPVENO-ZCFIWIBFSA-N 0 3 271.239 -1.119 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)[C@H]2CCCN2C)nn1 ZINC001374592344 887804253 /nfs/dbraw/zinc/80/42/53/887804253.db2.gz UOUQXSMJEKPQKZ-VXGBXAGGSA-N 0 3 296.375 -1.524 20 0 CAADHN CO[C@H](C)CC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001374593644 887804282 /nfs/dbraw/zinc/80/42/82/887804282.db2.gz YTFXDQPIYQWJRL-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)C1=CCOCC1)C(N)=O ZINC001374592488 887804460 /nfs/dbraw/zinc/80/44/60/887804460.db2.gz DMWKCJOIGILRFA-QWRGUYRKSA-N 0 3 285.344 -1.336 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccn(C)c1 ZINC001374593023 887804664 /nfs/dbraw/zinc/80/46/64/887804664.db2.gz LVJKGRNJJCASHP-LLVKDONJSA-N 0 3 282.344 -1.206 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cocn1 ZINC001374590733 887805115 /nfs/dbraw/zinc/80/51/15/887805115.db2.gz NGEIZVLHTRQKDU-MRVPVSSYSA-N 0 3 270.289 -1.557 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001374591973 887805369 /nfs/dbraw/zinc/80/53/69/887805369.db2.gz DDYQDIFCJTVGLS-SECBINFHSA-N 0 3 296.327 -1.396 20 0 CAADHN O=C(CNC(=O)C1CC1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001374588545 887805443 /nfs/dbraw/zinc/80/54/43/887805443.db2.gz UXCKQDSFZAMTNP-NXEZZACHSA-N 0 3 298.343 -2.532 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)Cc1cc[nH]n1)NC1CC1 ZINC001374590462 887805458 /nfs/dbraw/zinc/80/54/58/887805458.db2.gz WCZSKNMPIZDPDD-LLVKDONJSA-N 0 3 295.343 -1.703 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)C1=CCOCC1)C(N)=O ZINC001374592493 887805532 /nfs/dbraw/zinc/80/55/32/887805532.db2.gz DMWKCJOIGILRFA-WDEREUQCSA-N 0 3 285.344 -1.336 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1cnn(C)c1)C(N)=O ZINC001374590445 887805611 /nfs/dbraw/zinc/80/56/11/887805611.db2.gz MCJHEISVAHFUNE-QWRGUYRKSA-N 0 3 297.359 -1.707 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1cnn(C)c1)C(N)=O ZINC001374590434 887805937 /nfs/dbraw/zinc/80/59/37/887805937.db2.gz MCJHEISVAHFUNE-GHMZBOCLSA-N 0 3 297.359 -1.707 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cscn1 ZINC001374588587 887806324 /nfs/dbraw/zinc/80/63/24/887806324.db2.gz FVHQOHBSXNDSOV-SSDOTTSWSA-N 0 3 272.330 -1.431 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnsn1)C(N)=O ZINC001374589766 887806347 /nfs/dbraw/zinc/80/63/47/887806347.db2.gz YWDPTCFDIPIPQS-PHDIDXHHSA-N 0 3 273.318 -1.908 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1CC(F)(F)C1 ZINC001374596549 887807931 /nfs/dbraw/zinc/80/79/31/887807931.db2.gz QKUHAONUFJDWAE-MRVPVSSYSA-N 0 3 279.287 -1.156 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CC1(F)F)N1CCC1 ZINC001374599409 887808065 /nfs/dbraw/zinc/80/80/65/887808065.db2.gz INCIWDPWGMJJPJ-BDAKNGLRSA-N 0 3 291.298 -1.059 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)co1 ZINC001374596629 887808265 /nfs/dbraw/zinc/80/82/65/887808265.db2.gz UOQPOINXWWZCBI-ZJUUUORDSA-N 0 3 296.327 -1.058 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CNCC(=O)NC)n1 ZINC001374601859 887808454 /nfs/dbraw/zinc/80/84/54/887808454.db2.gz KSHKXJWFIINSSU-QMMMGPOBSA-N 0 3 284.320 -2.276 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ncc[nH]1)N1CCC1 ZINC001374600672 887808667 /nfs/dbraw/zinc/80/86/67/887808667.db2.gz NYLOZVFXWKEVKH-SECBINFHSA-N 0 3 281.316 -1.678 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C)ncn1 ZINC001374595275 887808718 /nfs/dbraw/zinc/80/87/18/887808718.db2.gz VHFHUOWIUSKSEB-SECBINFHSA-N 0 3 281.316 -1.789 20 0 CAADHN Cc1ccnc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001374599724 887809018 /nfs/dbraw/zinc/80/90/18/887809018.db2.gz NRQQIDJNKOEBEQ-BDAKNGLRSA-N 0 3 281.316 -1.661 20 0 CAADHN Cc1ccnc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001374599734 887809057 /nfs/dbraw/zinc/80/90/57/887809057.db2.gz NRQQIDJNKOEBEQ-DTWKUNHWSA-N 0 3 281.316 -1.661 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ocnc1C)C(N)=O ZINC001374594588 887809126 /nfs/dbraw/zinc/80/91/26/887809126.db2.gz JPQDNEVBEHKTCO-RKDXNWHRSA-N 0 3 284.316 -1.073 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ocnc1C)C(N)=O ZINC001374594579 887809191 /nfs/dbraw/zinc/80/91/91/887809191.db2.gz JPQDNEVBEHKTCO-DTWKUNHWSA-N 0 3 284.316 -1.073 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)CC(C)(C)O ZINC001374598939 887809337 /nfs/dbraw/zinc/80/93/37/887809337.db2.gz LFKLFJLRTIZWDV-SNVBAGLBSA-N 0 3 289.376 -1.308 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001374601561 887809805 /nfs/dbraw/zinc/80/98/05/887809805.db2.gz KEFPMWNRTWENJG-HTQZYQBOSA-N 0 3 284.320 -2.241 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001374601892 887809934 /nfs/dbraw/zinc/80/99/34/887809934.db2.gz KVGPADODORXXAT-VIFPVBQESA-N 0 3 298.347 -1.980 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001374596145 887810327 /nfs/dbraw/zinc/81/03/27/887810327.db2.gz YJOADVMHNMXPJT-SFYZADRCSA-N 0 3 273.289 -2.508 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2)NC1CC1 ZINC001374606079 887811676 /nfs/dbraw/zinc/81/16/76/887811676.db2.gz RBEJQLBPCGMFCC-PXWWUCIGSA-N 0 3 297.355 -1.632 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnn2c1CCC2)C(N)=O ZINC001374613504 887811876 /nfs/dbraw/zinc/81/18/76/887811876.db2.gz UHMVRJMTDUSEEU-RKDXNWHRSA-N 0 3 295.343 -1.617 20 0 CAADHN CCOc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001374614294 887812066 /nfs/dbraw/zinc/81/20/66/887812066.db2.gz YKESYGYOCFWFRE-SNVBAGLBSA-N 0 3 296.327 -1.354 20 0 CAADHN CCOc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001374614286 887812621 /nfs/dbraw/zinc/81/26/21/887812621.db2.gz YKESYGYOCFWFRE-JTQLQIEISA-N 0 3 296.327 -1.354 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)ncn1 ZINC001374604219 887813093 /nfs/dbraw/zinc/81/30/93/887813093.db2.gz KHNGOFVKFUGZMV-JGVFFNPUSA-N 0 3 297.315 -1.961 20 0 CAADHN COc1cc(C)cnc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001374613426 887813243 /nfs/dbraw/zinc/81/32/43/887813243.db2.gz BNPBTOJAWCEDGU-SECBINFHSA-N 0 3 296.327 -1.436 20 0 CAADHN CC[C@@H](F)CNC[C@@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001374611254 887813463 /nfs/dbraw/zinc/81/34/63/887813463.db2.gz ZYAPEOWXXHMWJV-NXEZZACHSA-N 0 3 296.364 -1.154 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1n[nH]cc1C ZINC001374602676 887813571 /nfs/dbraw/zinc/81/35/71/887813571.db2.gz SWOHPOYADOYTQL-JTQLQIEISA-N 0 3 297.359 -1.075 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C ZINC001374604134 887813702 /nfs/dbraw/zinc/81/37/02/887813702.db2.gz XBYYREADXXHDJC-NXEZZACHSA-N 0 3 297.359 -1.125 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)CC(C)(C)O ZINC001374604252 887813973 /nfs/dbraw/zinc/81/39/73/887813973.db2.gz YVTLDNUZXMPDII-SECBINFHSA-N 0 3 275.349 -1.650 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001374609054 887814049 /nfs/dbraw/zinc/81/40/49/887814049.db2.gz RZMQIRUVIXZKDD-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN O=C(NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1)c1cnc[n-]c1=O ZINC001374612742 887814380 /nfs/dbraw/zinc/81/43/80/887814380.db2.gz ASPBUGDWUBJJEL-UWVGGRQHSA-N 0 3 296.327 -1.101 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc2n(n1)CCCO2 ZINC001374622947 887815455 /nfs/dbraw/zinc/81/54/55/887815455.db2.gz AXBHRYVTSRQDQY-MRVPVSSYSA-N 0 3 297.315 -2.169 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001374625505 887815511 /nfs/dbraw/zinc/81/55/11/887815511.db2.gz RMQRCWABWWSPFJ-HTQZYQBOSA-N 0 3 283.332 -1.474 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNCc1nncn1C)N(C)C ZINC001374616686 887815713 /nfs/dbraw/zinc/81/57/13/887815713.db2.gz TZXLUQHWRLRNHD-GHMZBOCLSA-N 0 3 298.391 -1.278 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001374623128 887815959 /nfs/dbraw/zinc/81/59/59/887815959.db2.gz JBOHJSIRFXPSCT-GZMMTYOYSA-N 0 3 295.343 -1.459 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cn2c(n1)COCC2 ZINC001374615473 887816036 /nfs/dbraw/zinc/81/60/36/887816036.db2.gz NKCRKEABKWAZNZ-MRVPVSSYSA-N 0 3 297.315 -2.421 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cn2c(n1)COCC2 ZINC001374615474 887816406 /nfs/dbraw/zinc/81/64/06/887816406.db2.gz NKCRKEABKWAZNZ-QMMMGPOBSA-N 0 3 297.315 -2.421 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001374631038 887817461 /nfs/dbraw/zinc/81/74/61/887817461.db2.gz OYTCQJACDLWDGT-JRKPZEMJSA-N 0 3 298.343 -1.562 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNCc1nncn1C)N(C)C ZINC001374616687 887817596 /nfs/dbraw/zinc/81/75/96/887817596.db2.gz TZXLUQHWRLRNHD-WDEREUQCSA-N 0 3 298.391 -1.278 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1occ2c1CCC2 ZINC001374630481 887817773 /nfs/dbraw/zinc/81/77/73/887817773.db2.gz CRRPPALJBCOYMT-VIFPVBQESA-N 0 3 281.312 -1.066 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1ncccc1F)C(N)=O ZINC001374636464 887818732 /nfs/dbraw/zinc/81/87/32/887818732.db2.gz KMYPSUJMWMTAIN-BDAKNGLRSA-N 0 3 298.318 -1.296 20 0 CAADHN COC1CCC(C(=O)NC[C@@H](O)CNCC(N)=O)CC1 ZINC001374642251 887819121 /nfs/dbraw/zinc/81/91/21/887819121.db2.gz MISKRFYRQUMOES-YVNMAJEFSA-N 0 3 287.360 -1.256 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1ncccc1F)C(N)=O ZINC001374636481 887819365 /nfs/dbraw/zinc/81/93/65/887819365.db2.gz KMYPSUJMWMTAIN-IUCAKERBSA-N 0 3 298.318 -1.296 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1(c2cccnc2)CC1 ZINC001374639917 887819709 /nfs/dbraw/zinc/81/97/09/887819709.db2.gz VKTALSFKBVAHKK-NSHDSACASA-N 0 3 292.339 -1.335 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1c[nH]nc1C ZINC001374637459 887820575 /nfs/dbraw/zinc/82/05/75/887820575.db2.gz MXWKNZSUUVGLCT-JTQLQIEISA-N 0 3 297.359 -1.075 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001374636272 887821269 /nfs/dbraw/zinc/82/12/69/887821269.db2.gz YZIZKTMEXGIOHY-SRVKXCTJSA-N 0 3 299.371 -1.432 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnc2n1CCCC2 ZINC001374636085 887821354 /nfs/dbraw/zinc/82/13/54/887821354.db2.gz JWPCDWBOJJSNPE-VIFPVBQESA-N 0 3 295.343 -1.615 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001374653769 887822797 /nfs/dbraw/zinc/82/27/97/887822797.db2.gz LXQXHDWSMODLAW-BBBLOLIVSA-N 0 3 298.343 -2.547 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001374645024 887823087 /nfs/dbraw/zinc/82/30/87/887823087.db2.gz YVDKFOQTQQNFKA-ZJUUUORDSA-N 0 3 296.331 -2.332 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1 ZINC001374656643 887823136 /nfs/dbraw/zinc/82/31/36/887823136.db2.gz NJRAUPUDZOVAER-IUCAKERBSA-N 0 3 281.316 -1.713 20 0 CAADHN O=C(Cc1cscn1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001374650587 887823322 /nfs/dbraw/zinc/82/33/22/887823322.db2.gz JJZBWZKXJODRFR-ZJUUUORDSA-N 0 3 298.368 -1.359 20 0 CAADHN O=C(Cc1cscn1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001374650582 887823569 /nfs/dbraw/zinc/82/35/69/887823569.db2.gz JJZBWZKXJODRFR-VHSXEESVSA-N 0 3 298.368 -1.359 20 0 CAADHN O=C(Cc1ccco1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001374655305 887823838 /nfs/dbraw/zinc/82/38/38/887823838.db2.gz CRQIYALDSRQNCN-MWLCHTKSSA-N 0 3 281.312 -1.223 20 0 CAADHN O=C(Cc1ccco1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001374655303 887823866 /nfs/dbraw/zinc/82/38/66/887823866.db2.gz CRQIYALDSRQNCN-KOLCDFICSA-N 0 3 281.312 -1.223 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1 ZINC001374656634 887823974 /nfs/dbraw/zinc/82/39/74/887823974.db2.gz NJRAUPUDZOVAER-BDAKNGLRSA-N 0 3 281.316 -1.713 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001374644998 887824004 /nfs/dbraw/zinc/82/40/04/887824004.db2.gz YVDKFOQTQQNFKA-NXEZZACHSA-N 0 3 296.331 -2.332 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001374656646 887824138 /nfs/dbraw/zinc/82/41/38/887824138.db2.gz NJRAUPUDZOVAER-RKDXNWHRSA-N 0 3 281.316 -1.713 20 0 CAADHN CCC1(C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)CC1 ZINC001374647006 887824452 /nfs/dbraw/zinc/82/44/52/887824452.db2.gz VORAFPRXWYUVBR-QMMMGPOBSA-N 0 3 286.332 -1.562 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001374653761 887824549 /nfs/dbraw/zinc/82/45/49/887824549.db2.gz LXQXHDWSMODLAW-AEJSXWLSSA-N 0 3 298.343 -2.547 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1ccncn1 ZINC001374655751 887824589 /nfs/dbraw/zinc/82/45/89/887824589.db2.gz DPDBWJNBQWZUBV-VHSXEESVSA-N 0 3 293.327 -1.565 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1(CF)CCC1 ZINC001374656380 887824619 /nfs/dbraw/zinc/82/46/19/887824619.db2.gz YTPOBBUAJYMGDZ-SECBINFHSA-N 0 3 275.324 -1.061 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001374649982 887824683 /nfs/dbraw/zinc/82/46/83/887824683.db2.gz FADYMIRRCKNQBV-PRJMDXOYSA-N 0 3 272.305 -3.080 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001374645022 887824763 /nfs/dbraw/zinc/82/47/63/887824763.db2.gz YVDKFOQTQQNFKA-VHSXEESVSA-N 0 3 296.331 -2.332 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001374643113 887824960 /nfs/dbraw/zinc/82/49/60/887824960.db2.gz QDCIVIDUVDMXPC-WCBMZHEXSA-N 0 3 282.300 -1.448 20 0 CAADHN COc1cncc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001374652109 887825072 /nfs/dbraw/zinc/82/50/72/887825072.db2.gz OIFQCORQBYLDCC-YUMQZZPRSA-N 0 3 297.315 -1.961 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)c(=O)[nH]1 ZINC001374654065 887825086 /nfs/dbraw/zinc/82/50/86/887825086.db2.gz SBPWRXSKBUNTNU-QMMMGPOBSA-N 0 3 282.300 -1.739 20 0 CAADHN COc1nc(C)ccc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001374652659 887825129 /nfs/dbraw/zinc/82/51/29/887825129.db2.gz PEPSHPMPSFNZBJ-VIFPVBQESA-N 0 3 296.327 -1.436 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)c(=O)[nH]1 ZINC001374654064 887825158 /nfs/dbraw/zinc/82/51/58/887825158.db2.gz SBPWRXSKBUNTNU-MRVPVSSYSA-N 0 3 282.300 -1.739 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CNCC(N)=O)nn1 ZINC001374663314 887826316 /nfs/dbraw/zinc/82/63/16/887826316.db2.gz ZMTSAEGUHUWBRK-ZETCQYMHSA-N 0 3 270.293 -2.536 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001374667329 887826349 /nfs/dbraw/zinc/82/63/49/887826349.db2.gz UMWNPNOOOYGOSD-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN Cc1conc1C(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001374667327 887826497 /nfs/dbraw/zinc/82/64/97/887826497.db2.gz UMWNPNOOOYGOSD-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2cccnn2)C1=O ZINC001374659433 887826558 /nfs/dbraw/zinc/82/65/58/887826558.db2.gz OZYJCAIJCMXLKZ-KOLCDFICSA-N 0 3 293.327 -1.612 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1oncc1C ZINC001374660672 887826666 /nfs/dbraw/zinc/82/66/66/887826666.db2.gz HOTLGFUMVPUQNH-IUCAKERBSA-N 0 3 284.316 -1.202 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cccc2[nH]cnc21 ZINC001374662153 887826789 /nfs/dbraw/zinc/82/67/89/887826789.db2.gz UHMPIRBMEDZDES-QMMMGPOBSA-N 0 3 291.311 -1.272 20 0 CAADHN CC[C@@H](C)NC(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001374662069 887826813 /nfs/dbraw/zinc/82/68/13/887826813.db2.gz YTLODDUGKVJMOY-BDAKNGLRSA-N 0 3 299.331 -1.335 20 0 CAADHN Cn1cnnc1CNC[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001374666524 887826936 /nfs/dbraw/zinc/82/69/36/887826936.db2.gz MSJIKAQXLIAEHX-MRVPVSSYSA-N 0 3 294.319 -2.257 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ncccn1 ZINC001374658427 887827134 /nfs/dbraw/zinc/82/71/34/887827134.db2.gz LTPMVQJJBIJMJH-VIFPVBQESA-N 0 3 281.316 -1.755 20 0 CAADHN O=C(CCn1cnnn1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001374663159 887827198 /nfs/dbraw/zinc/82/71/98/887827198.db2.gz YAHJFLQGBZKWHY-RKDXNWHRSA-N 0 3 297.319 -2.982 20 0 CAADHN CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001374666852 887827219 /nfs/dbraw/zinc/82/72/19/887827219.db2.gz PLSWLCKTLMJIGU-MRVPVSSYSA-N 0 3 284.320 -2.450 20 0 CAADHN Cc1conc1C(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001374667330 887827229 /nfs/dbraw/zinc/82/72/29/887827229.db2.gz UMWNPNOOOYGOSD-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN COc1cccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001374664431 887827292 /nfs/dbraw/zinc/82/72/92/887827292.db2.gz YMZRWVZVYBNMKG-DTWKUNHWSA-N 0 3 296.327 -1.356 20 0 CAADHN CCn1cc(CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001374666811 887827476 /nfs/dbraw/zinc/82/74/76/887827476.db2.gz OSOYOEKQUWJUBB-KOLCDFICSA-N 0 3 297.359 -1.614 20 0 CAADHN O=C(Cc1ncc[nH]1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001374662898 887827750 /nfs/dbraw/zinc/82/77/50/887827750.db2.gz XRGBVHJCBHNKQU-ZJUUUORDSA-N 0 3 295.343 -1.703 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cccn2ccnc12 ZINC001374657129 887827802 /nfs/dbraw/zinc/82/78/02/887827802.db2.gz OYXRTIJBLYXLPC-SECBINFHSA-N 0 3 291.311 -1.500 20 0 CAADHN Cc1cc(CCC(=O)NC[C@H](O)CNCC(N)=O)no1 ZINC001374661090 887827818 /nfs/dbraw/zinc/82/78/18/887827818.db2.gz YSDRHGZGUPPZGC-SNVBAGLBSA-N 0 3 284.316 -1.532 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1cnccn1 ZINC001374664466 887827835 /nfs/dbraw/zinc/82/78/35/887827835.db2.gz ZABKKACWECLWFB-SNVBAGLBSA-N 0 3 281.316 -2.039 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001374668254 887827879 /nfs/dbraw/zinc/82/78/79/887827879.db2.gz ZKFJMDLYWJLDRG-SFYZADRCSA-N 0 3 270.289 -1.463 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001374661193 887828092 /nfs/dbraw/zinc/82/80/92/887828092.db2.gz IUGGLSHLQHBMNA-YUMQZZPRSA-N 0 3 270.289 -1.463 20 0 CAADHN CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001374666853 887828142 /nfs/dbraw/zinc/82/81/42/887828142.db2.gz PLSWLCKTLMJIGU-QMMMGPOBSA-N 0 3 284.320 -2.450 20 0 CAADHN Cc1conc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001374668244 887828437 /nfs/dbraw/zinc/82/84/37/887828437.db2.gz ZKFJMDLYWJLDRG-HTQZYQBOSA-N 0 3 270.289 -1.463 20 0 CAADHN Cc1conc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001374665737 887828634 /nfs/dbraw/zinc/82/86/34/887828634.db2.gz HHSYTKDMXZHFDE-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccc2cccnn21 ZINC001374658205 887828918 /nfs/dbraw/zinc/82/89/18/887828918.db2.gz RGVZTVVWOFGSKU-JTQLQIEISA-N 0 3 291.311 -1.500 20 0 CAADHN O=C(Cc1ncc[nH]1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001374663236 887828950 /nfs/dbraw/zinc/82/89/50/887828950.db2.gz YRPPAVJCHUFVLQ-IUCAKERBSA-N 0 3 281.316 -2.093 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1ncc[nH]1)C(N)=O ZINC001374658141 887829072 /nfs/dbraw/zinc/82/90/72/887829072.db2.gz KVJXONRVTVCMGP-BDAKNGLRSA-N 0 3 283.332 -1.717 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1oncc1C ZINC001374661295 887829092 /nfs/dbraw/zinc/82/90/92/887829092.db2.gz JPEISQQIHCIGAM-QMMMGPOBSA-N 0 3 270.289 -1.591 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@]1(C)CCOC1 ZINC001374657444 887829109 /nfs/dbraw/zinc/82/91/09/887829109.db2.gz JJQYMNHIWARBNJ-CABZTGNLSA-N 0 3 273.333 -1.774 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)c2cnn(C)n2)cn1 ZINC001374660306 887829333 /nfs/dbraw/zinc/82/93/33/887829333.db2.gz ZEISNVCNHFNEKH-SNVBAGLBSA-N 0 3 293.331 -1.571 20 0 CAADHN Cc1cc(CCC(=O)NC[C@@H](O)CNCC(N)=O)no1 ZINC001374661089 887829368 /nfs/dbraw/zinc/82/93/68/887829368.db2.gz YSDRHGZGUPPZGC-JTQLQIEISA-N 0 3 284.316 -1.532 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001374676882 887830478 /nfs/dbraw/zinc/83/04/78/887830478.db2.gz NOEBNAKQTMARML-SECBINFHSA-N 0 3 297.315 -1.663 20 0 CAADHN Cc1n[nH]c(C)c1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001374678743 887830705 /nfs/dbraw/zinc/83/07/05/887830705.db2.gz VPYMSKBKEOKXLL-VIFPVBQESA-N 0 3 283.332 -1.879 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)Cn2ccnc2)n[nH]1 ZINC001374678085 887830993 /nfs/dbraw/zinc/83/09/93/887830993.db2.gz RVDSJMQGJMASKQ-SNVBAGLBSA-N 0 3 293.331 -1.423 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001374686348 887831174 /nfs/dbraw/zinc/83/11/74/887831174.db2.gz UKYPAZIALYOOGO-RKDXNWHRSA-N 0 3 281.316 -2.011 20 0 CAADHN Cc1noc(C)c1CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001374674975 887831294 /nfs/dbraw/zinc/83/12/94/887831294.db2.gz KAKSNZPJMIESGN-WPRPVWTQSA-N 0 3 298.343 -1.226 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCCOC1 ZINC001374683950 887832239 /nfs/dbraw/zinc/83/22/39/887832239.db2.gz KJJOGSBWKSXATK-MNOVXSKESA-N 0 3 287.360 -1.384 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001374686343 887832318 /nfs/dbraw/zinc/83/23/18/887832318.db2.gz UKYPAZIALYOOGO-DTWKUNHWSA-N 0 3 281.316 -2.011 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)COc1ccccc1F ZINC001374672900 887832369 /nfs/dbraw/zinc/83/23/69/887832369.db2.gz GIZWQIWPNVSQTJ-SECBINFHSA-N 0 3 299.302 -1.244 20 0 CAADHN Cc1nccc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1 ZINC001374681759 887832734 /nfs/dbraw/zinc/83/27/34/887832734.db2.gz FSMCNZAISOXNSF-UWVGGRQHSA-N 0 3 293.327 -1.646 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)Cn2cnnn2)C1)N(C)C ZINC001374691535 887832811 /nfs/dbraw/zinc/83/28/11/887832811.db2.gz FWKJHKDXSXIQCV-SNVBAGLBSA-N 0 3 295.347 -1.660 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnn2cc[nH]c12)C(N)=O ZINC001374678382 887833135 /nfs/dbraw/zinc/83/31/35/887833135.db2.gz NAKJVHDFTFJDJW-YUMQZZPRSA-N 0 3 294.315 -1.784 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)n1 ZINC001374680192 887833390 /nfs/dbraw/zinc/83/33/90/887833390.db2.gz AVJOXYAZYGETMO-NXEZZACHSA-N 0 3 295.343 -1.621 20 0 CAADHN Cc1n[nH]c(C)c1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001374678742 887833424 /nfs/dbraw/zinc/83/34/24/887833424.db2.gz VPYMSKBKEOKXLL-SECBINFHSA-N 0 3 283.332 -1.879 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001374674859 887833779 /nfs/dbraw/zinc/83/37/79/887833779.db2.gz HILYOVWXLNLWSP-RKDXNWHRSA-N 0 3 297.315 -1.711 20 0 CAADHN Cc1noc(C)c1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001374676677 887833884 /nfs/dbraw/zinc/83/38/84/887833884.db2.gz PFZDLBDVGFVMAH-VIFPVBQESA-N 0 3 284.316 -1.614 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001374687085 887833903 /nfs/dbraw/zinc/83/39/03/887833903.db2.gz YZTSVQIUXQWXMI-JTQLQIEISA-N 0 3 297.359 -1.373 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001374679264 887833967 /nfs/dbraw/zinc/83/39/67/887833967.db2.gz ZFXNKCFVNLMTHU-SNVBAGLBSA-N 0 3 283.332 -1.914 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001374684943 887833987 /nfs/dbraw/zinc/83/39/87/887833987.db2.gz YECZLDATJLHOOB-ZJUUUORDSA-N 0 3 296.327 -1.269 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001374676885 887834011 /nfs/dbraw/zinc/83/40/11/887834011.db2.gz NOEBNAKQTMARML-VIFPVBQESA-N 0 3 297.315 -1.663 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001374725740 887835034 /nfs/dbraw/zinc/83/50/34/887835034.db2.gz RZMQIRUVIXZKDD-NSHDSACASA-N 0 3 296.371 -1.066 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)Cn1cncn1 ZINC001374720930 887835198 /nfs/dbraw/zinc/83/51/98/887835198.db2.gz ATKRPNLBKXTEGP-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CCC(=O)N1 ZINC001374711946 887835320 /nfs/dbraw/zinc/83/53/20/887835320.db2.gz OAUOKYHDHZIYFH-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1)N(C)C ZINC001374718584 887835624 /nfs/dbraw/zinc/83/56/24/887835624.db2.gz OSQRYETXMSYQSY-MNOVXSKESA-N 0 3 296.371 -1.068 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001374723986 887835670 /nfs/dbraw/zinc/83/56/70/887835670.db2.gz VIYARURCTCNVHH-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001374736533 887835809 /nfs/dbraw/zinc/83/58/09/887835809.db2.gz PWZRGAPWOOCCIQ-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1COC(=O)N1 ZINC001374713545 887836037 /nfs/dbraw/zinc/83/60/37/887836037.db2.gz SXCNSINUPRSTJQ-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)Cn2cncn2)C1)N(C)C ZINC001374719089 887836072 /nfs/dbraw/zinc/83/60/72/887836072.db2.gz SYFUAFXFXDEFNF-LLVKDONJSA-N 0 3 294.359 -1.055 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1)N(C)C ZINC001374719665 887836486 /nfs/dbraw/zinc/83/64/86/887836486.db2.gz WQVOUGXVMSGJPF-UWVGGRQHSA-N 0 3 297.359 -1.665 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)C1CN(C(C)=O)C1 ZINC001374714449 887836583 /nfs/dbraw/zinc/83/65/83/887836583.db2.gz ZDZSXPVHYILAGU-GFCCVEGCSA-N 0 3 296.371 -1.209 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)Cn2ncnn2)C1)N(C)C ZINC001374716077 887836690 /nfs/dbraw/zinc/83/66/90/887836690.db2.gz AYANLDZMRRRMQZ-SNVBAGLBSA-N 0 3 295.347 -1.660 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CCNC(N)=O ZINC001374725510 887836864 /nfs/dbraw/zinc/83/68/64/887836864.db2.gz YJQFMKRZOQAHQM-QMMMGPOBSA-N 0 3 273.337 -1.643 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001374708322 887837234 /nfs/dbraw/zinc/83/72/34/887837234.db2.gz FASOKMFVPWQPEL-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccc(=O)[nH]n1 ZINC001374725536 887837333 /nfs/dbraw/zinc/83/73/33/887837333.db2.gz FTVGJFMRGKZTRX-HTQZYQBOSA-N 0 3 279.300 -1.221 20 0 CAADHN CC(C)[C@H](C(=O)NC1CN(C(=O)CNC(N)=O)C1)N(C)C ZINC001374727218 887837495 /nfs/dbraw/zinc/83/74/95/887837495.db2.gz DCMMJRKPHSJNIT-LLVKDONJSA-N 0 3 299.375 -1.432 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)C1CN(C(C)=O)C1 ZINC001374714451 887837951 /nfs/dbraw/zinc/83/79/51/887837951.db2.gz ZDZSXPVHYILAGU-LBPRGKRZSA-N 0 3 296.371 -1.209 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1CCC(=O)N1 ZINC001374707389 887837969 /nfs/dbraw/zinc/83/79/69/887837969.db2.gz CBQFSVIDTJWJNH-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1ccn(C)c(=O)c1 ZINC001374775936 887839257 /nfs/dbraw/zinc/83/92/57/887839257.db2.gz UWNJPCRSFJRKRK-KOLCDFICSA-N 0 3 292.339 -1.018 20 0 CAADHN CC[C@@H](OC)C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001374739436 887839387 /nfs/dbraw/zinc/83/93/87/887839387.db2.gz VMOLVFRKYLJGLF-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)Cn1ncnn1 ZINC001374756378 887839413 /nfs/dbraw/zinc/83/94/13/887839413.db2.gz PGBBBYRLATUEHP-SECBINFHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001374744285 887839552 /nfs/dbraw/zinc/83/95/52/887839552.db2.gz IXUITXYDSVOVHU-ZYHUDNBSSA-N 0 3 298.387 -1.310 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)Cn1ncnn1 ZINC001374755020 887839621 /nfs/dbraw/zinc/83/96/21/887839621.db2.gz JRFMVRGTKTXMCU-SSDOTTSWSA-N 0 3 295.307 -2.611 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)NC(=O)Cn2ncnn2)C1=O ZINC001374758325 887839683 /nfs/dbraw/zinc/83/96/83/887839683.db2.gz WYUPRXRTMYACER-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccn(C)c(=O)c1 ZINC001374775942 887839928 /nfs/dbraw/zinc/83/99/28/887839928.db2.gz UWNJPCRSFJRKRK-MWLCHTKSSA-N 0 3 292.339 -1.018 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001374754643 887840231 /nfs/dbraw/zinc/84/02/31/887840231.db2.gz OVYNLQMLPGQUHW-UTLUCORTSA-N 0 3 282.344 -1.566 20 0 CAADHN CC[C@H](OC)C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001374739441 887840998 /nfs/dbraw/zinc/84/09/98/887840998.db2.gz VMOLVFRKYLJGLF-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001374766758 887841053 /nfs/dbraw/zinc/84/10/53/887841053.db2.gz CGGNRIXBAZIOIK-MRVPVSSYSA-N 0 3 281.316 -1.766 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001374749930 887841101 /nfs/dbraw/zinc/84/11/01/887841101.db2.gz ARQLKTRJHQVOAH-SNVBAGLBSA-N 0 3 297.359 -1.663 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)Cn2nccn2)C1)N(C)C ZINC001374773516 887841188 /nfs/dbraw/zinc/84/11/88/887841188.db2.gz STJGHKCTNOZNJW-NSHDSACASA-N 0 3 294.359 -1.055 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)C1 ZINC001374753351 887841316 /nfs/dbraw/zinc/84/13/16/887841316.db2.gz CGRALTVDVWPFFF-SSDOTTSWSA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H](C)NC(N)=O ZINC001374751850 887841521 /nfs/dbraw/zinc/84/15/21/887841521.db2.gz LZRYNWBNOMQPDQ-BDAKNGLRSA-N 0 3 299.375 -1.242 20 0 CAADHN Cc1cc(=O)c(C(=O)N[C@H](C)CNCC(N)=O)cn1C ZINC001374767799 887841571 /nfs/dbraw/zinc/84/15/71/887841571.db2.gz GCNFVCUVMCSRHU-MRVPVSSYSA-N 0 3 280.328 -1.113 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001374766657 887841593 /nfs/dbraw/zinc/84/15/93/887841593.db2.gz WMIQTWLZXLUAQN-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)NC(=O)Cn2ncnn2)C1=O ZINC001374758326 887841693 /nfs/dbraw/zinc/84/16/93/887841693.db2.gz WYUPRXRTMYACER-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001374749926 887841816 /nfs/dbraw/zinc/84/18/16/887841816.db2.gz ARQLKTRJHQVOAH-JTQLQIEISA-N 0 3 297.359 -1.663 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001374821203 887843535 /nfs/dbraw/zinc/84/35/35/887843535.db2.gz CRKPUDPGISKGCP-SFYZADRCSA-N 0 3 272.349 -1.131 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)Cn1ncn(C)c1=O ZINC001374780606 887843596 /nfs/dbraw/zinc/84/35/96/887843596.db2.gz FPBHJJKRNKBYHU-HTQZYQBOSA-N 0 3 284.320 -2.450 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1cccc(=O)n1C ZINC001374808636 887843719 /nfs/dbraw/zinc/84/37/19/887843719.db2.gz SEZOFEQFODEDQA-NXEZZACHSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)c1cnnn1C ZINC001374781602 887843923 /nfs/dbraw/zinc/84/39/23/887843923.db2.gz PHYXBGIZCMYFDC-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001374814875 887844046 /nfs/dbraw/zinc/84/40/46/887844046.db2.gz TWFZICUEXSMWAO-BBBLOLIVSA-N 0 3 284.360 -1.273 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1cnoc1 ZINC001374802884 887844145 /nfs/dbraw/zinc/84/41/45/887844145.db2.gz GVKYVCIVDZRIGU-SFYZADRCSA-N 0 3 297.315 -1.105 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001374782006 887844557 /nfs/dbraw/zinc/84/45/57/887844557.db2.gz QPYSMLXZDSGQBJ-SNVBAGLBSA-N 0 3 299.375 -2.399 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001374801225 887844359 /nfs/dbraw/zinc/84/43/59/887844359.db2.gz XTBPVYAFJMBQPR-MRVPVSSYSA-N 0 3 283.336 -1.556 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001374776012 887844456 /nfs/dbraw/zinc/84/44/56/887844456.db2.gz VGMGOESPLGPZQD-BDAKNGLRSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)c1cnc[n-]c1=O ZINC001374776166 887845114 /nfs/dbraw/zinc/84/51/14/887845114.db2.gz SQAJXKYNZBBDKM-APPZFPTMSA-N 0 3 279.300 -1.221 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001374788095 887845264 /nfs/dbraw/zinc/84/52/64/887845264.db2.gz HPTHBHBBTBRSQO-FYLLDIAZSA-N 0 3 285.344 -1.383 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1COC(=O)N1 ZINC001374778777 887845368 /nfs/dbraw/zinc/84/53/68/887845368.db2.gz HUXYLXQZCPCVPW-BDAKNGLRSA-N 0 3 284.316 -1.579 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cncn1C ZINC001374783709 887845858 /nfs/dbraw/zinc/84/58/58/887845858.db2.gz LYLQGNJNTJPKDB-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN COc1c[nH]c(C(=O)N[C@H](C)CNCC(N)=O)cc1=O ZINC001374790336 887845967 /nfs/dbraw/zinc/84/59/67/887845967.db2.gz PRXGMYYJXHBKGU-SSDOTTSWSA-N 0 3 282.300 -1.423 20 0 CAADHN COC[C@@H](C)C(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001374877666 887846689 /nfs/dbraw/zinc/84/66/89/887846689.db2.gz XMUAJHUAFXNCBJ-BDAKNGLRSA-N 0 3 285.348 -1.015 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1nccnc1N ZINC001374871818 887846757 /nfs/dbraw/zinc/84/67/57/887846757.db2.gz BGERIALQFBJELU-JGVFFNPUSA-N 0 3 278.316 -1.345 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1ccc(=O)[nH]n1 ZINC001374864135 887847143 /nfs/dbraw/zinc/84/71/43/887847143.db2.gz PTYLUKXGQDUTOJ-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001374866220 887847343 /nfs/dbraw/zinc/84/73/43/887847343.db2.gz CBGLNJDXJWWMBG-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@H](C)CNCC(N)=O ZINC001374847056 887847767 /nfs/dbraw/zinc/84/77/67/887847767.db2.gz NHGPZZKVYAXNML-MRVPVSSYSA-N 0 3 279.362 -1.609 20 0 CAADHN Cc1nc(C)c(CC(=O)N[C@H](C)C[NH2+]CC(N)=O)c(=O)[n-]1 ZINC001374841588 887847410 /nfs/dbraw/zinc/84/74/10/887847410.db2.gz BIEWIIRWVJNPLW-SSDOTTSWSA-N 0 3 295.343 -1.079 20 0 CAADHN Cc1nc(C)c(CC(=O)N[C@H](C)CNCC(N)=O)c(=O)[nH]1 ZINC001374841588 887847417 /nfs/dbraw/zinc/84/74/17/887847417.db2.gz BIEWIIRWVJNPLW-SSDOTTSWSA-N 0 3 295.343 -1.079 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cn(C)cn1 ZINC001374876044 887847512 /nfs/dbraw/zinc/84/75/12/887847512.db2.gz BOUKUPQUOBNZQC-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCOC1 ZINC001374869868 887847567 /nfs/dbraw/zinc/84/75/67/887847567.db2.gz HPKPRJXYMWKQAD-DTWKUNHWSA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)c1cnn(C)n1 ZINC001374822977 887847682 /nfs/dbraw/zinc/84/76/82/887847682.db2.gz WXXMTNCLAHQQJM-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN Cc1nn(CC(=O)N[C@H](C)CNCC(N)=O)c(=O)n1C ZINC001374840844 887847956 /nfs/dbraw/zinc/84/79/56/887847956.db2.gz NGMBTKBLTVFJGS-SSDOTTSWSA-N 0 3 284.320 -2.530 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)CCn1cnnn1 ZINC001374825414 887847996 /nfs/dbraw/zinc/84/79/96/887847996.db2.gz JZQSKJULSQFALU-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCCCO1 ZINC001374879016 887848441 /nfs/dbraw/zinc/84/84/41/887848441.db2.gz PJZIDPSNXNLICH-DTWKUNHWSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)[C@H](C)NC(N)=O ZINC001374877911 887848534 /nfs/dbraw/zinc/84/85/34/887848534.db2.gz IHDSFHOJFRLNJF-LPEHRKFASA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)Cn1cnnn1 ZINC001374861976 887848758 /nfs/dbraw/zinc/84/87/58/887848758.db2.gz SMZPHTOSQJZOMG-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN1CCCCCC1=O ZINC001374840799 887848817 /nfs/dbraw/zinc/84/88/17/887848817.db2.gz AXNQGMXXGFANDM-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cocn1 ZINC001374876625 887849228 /nfs/dbraw/zinc/84/92/28/887849228.db2.gz RGEONFQWMWWBFV-ZETCQYMHSA-N 0 3 283.288 -1.162 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1cnns1 ZINC001374867489 887849427 /nfs/dbraw/zinc/84/94/27/887849427.db2.gz IUMWWEXWQVDWKO-YFKPBYRVSA-N 0 3 286.317 -1.559 20 0 CAADHN CCOCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001374864781 887849729 /nfs/dbraw/zinc/84/97/29/887849729.db2.gz UERRVQLSANPZDU-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)Cn1ccnc1 ZINC001374852477 887849752 /nfs/dbraw/zinc/84/97/52/887849752.db2.gz KMCBLFKEZIUBIO-MRVPVSSYSA-N 0 3 282.304 -1.828 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ncccn1 ZINC001374825878 887849871 /nfs/dbraw/zinc/84/98/71/887849871.db2.gz DDUOUUXNTTYXNW-MRVPVSSYSA-N 0 3 291.315 -1.194 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)Cn2ncnn2)n[nH]1 ZINC001374888948 887850776 /nfs/dbraw/zinc/85/07/76/887850776.db2.gz DTYIMAAAODNKMH-ZETCQYMHSA-N 0 3 279.308 -1.606 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001374925618 887850921 /nfs/dbraw/zinc/85/09/21/887850921.db2.gz KBYDVHSBNIBDKW-WPRPVWTQSA-N 0 3 297.359 -1.712 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccc(=O)n(C)c1)C(N)=O ZINC001374906775 887850939 /nfs/dbraw/zinc/85/09/39/887850939.db2.gz SFNCGZBDBOLMJH-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN COC1CC(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)C1 ZINC001374900751 887851017 /nfs/dbraw/zinc/85/10/17/887851017.db2.gz BJYCEISNDMRKPS-UEJVZZJDSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001374923127 887851763 /nfs/dbraw/zinc/85/17/63/887851763.db2.gz ZUTWCUNCTMEFPO-YIZRAAEISA-N 0 3 270.333 -1.425 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCCNC1=O ZINC001374892590 887852593 /nfs/dbraw/zinc/85/25/93/887852593.db2.gz MLDTVVRASSVPFN-IUCAKERBSA-N 0 3 285.348 -1.712 20 0 CAADHN CCN1C[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC)CC1=O ZINC001374891066 887852869 /nfs/dbraw/zinc/85/28/69/887852869.db2.gz AKSLAKWWNQQTHA-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CN[C@@H]2CCNC2=O)C1 ZINC001374880693 887852958 /nfs/dbraw/zinc/85/29/58/887852958.db2.gz VGNFFSSVOCJAHN-GZMMTYOYSA-N 0 3 282.344 -1.553 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccnc2n[nH]nc21 ZINC001374910280 887853004 /nfs/dbraw/zinc/85/30/04/887853004.db2.gz CMEOYRIWSBFHPG-BQBZGAKWSA-N 0 3 291.315 -1.065 20 0 CAADHN CCN(CC)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001374925266 887853192 /nfs/dbraw/zinc/85/31/92/887853192.db2.gz DLULDXNCABYKEB-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CN1CCCNC1=O)C(N)=O ZINC001374907292 887853214 /nfs/dbraw/zinc/85/32/14/887853214.db2.gz WLEPAUUIJKUOIQ-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cnn(C)c1N ZINC001374882004 887853235 /nfs/dbraw/zinc/85/32/35/887853235.db2.gz BVUUOKXFSYDAIS-CBAPKCEASA-N 0 3 280.332 -1.401 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001374924912 887853345 /nfs/dbraw/zinc/85/33/45/887853345.db2.gz AOCOWRUEUFDODQ-IUCAKERBSA-N 0 3 285.348 -1.713 20 0 CAADHN CCN1C[C@H](C(=O)N[C@@H](C)CNCC(=O)NC)CC1=O ZINC001374891069 887853513 /nfs/dbraw/zinc/85/35/13/887853513.db2.gz AKSLAKWWNQQTHA-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCCNC1=O ZINC001374892589 887853594 /nfs/dbraw/zinc/85/35/94/887853594.db2.gz MLDTVVRASSVPFN-DTWKUNHWSA-N 0 3 285.348 -1.712 20 0 CAADHN CC(C)CNC(=O)CNC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001374921743 887853804 /nfs/dbraw/zinc/85/38/04/887853804.db2.gz ICCBUFJCUUHTIQ-VIFPVBQESA-N 0 3 297.363 -1.310 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001374927719 887853879 /nfs/dbraw/zinc/85/38/79/887853879.db2.gz QXBXUGUPDMDSPX-JGVFFNPUSA-N 0 3 280.332 -1.196 20 0 CAADHN CC(C)CNC(=O)CNC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001374932736 887854910 /nfs/dbraw/zinc/85/49/10/887854910.db2.gz AKQPPJWVTHNNNO-AXFHLTTASA-N 0 3 298.387 -1.026 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001374982428 887855137 /nfs/dbraw/zinc/85/51/37/887855137.db2.gz BDFGEAXWMLUPGQ-GUBZILKMSA-N 0 3 299.375 -1.242 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001375001822 887855722 /nfs/dbraw/zinc/85/57/22/887855722.db2.gz LSPUXDKMXOBRAG-VHSXEESVSA-N 0 3 286.336 -1.883 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)CNCC(=O)NC ZINC001374935564 887856180 /nfs/dbraw/zinc/85/61/80/887856180.db2.gz LGZHDRVZLPUPOO-WCBMZHEXSA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001374982425 887856498 /nfs/dbraw/zinc/85/64/98/887856498.db2.gz BDFGEAXWMLUPGQ-AEJSXWLSSA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)c1cnn(C)n1 ZINC001374948015 887857231 /nfs/dbraw/zinc/85/72/31/887857231.db2.gz WXXMTNCLAHQQJM-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001374933609 887856914 /nfs/dbraw/zinc/85/69/14/887856914.db2.gz LZHRWUNFSHCZCB-AXFHLTTASA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001374979242 887857218 /nfs/dbraw/zinc/85/72/18/887857218.db2.gz RZWPMGUXHUQRII-JGVFFNPUSA-N 0 3 294.377 -2.236 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)CCn1cnnn1 ZINC001374941920 887857364 /nfs/dbraw/zinc/85/73/64/887857364.db2.gz BFXPXFSLRYUDAB-JTQLQIEISA-N 0 3 297.363 -1.318 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001374936536 887857398 /nfs/dbraw/zinc/85/73/98/887857398.db2.gz SKKNOVOVAMYKNN-QMMMGPOBSA-N 0 3 296.331 -1.498 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cccc(=O)n1C ZINC001374931510 887857430 /nfs/dbraw/zinc/85/74/30/887857430.db2.gz GBGUICBFQIMKQI-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001375029671 887860413 /nfs/dbraw/zinc/86/04/13/887860413.db2.gz AVRWUIGGVHDXOC-NXEZZACHSA-N 0 3 285.348 -1.128 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001375063084 887863354 /nfs/dbraw/zinc/86/33/54/887863354.db2.gz JEKMOZLJNTUXRU-UWVGGRQHSA-N 0 3 297.359 -1.025 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001375210441 887864314 /nfs/dbraw/zinc/86/43/14/887864314.db2.gz CHYDACBVSRGVPH-SCZZXKLOSA-N 0 3 283.328 -1.091 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001375204541 887864376 /nfs/dbraw/zinc/86/43/76/887864376.db2.gz YMIBDRKORMJRAJ-OIBJUYFYSA-N 0 3 270.333 -1.519 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CNCC(=O)N1CCC1)C1CC1 ZINC001375202074 887864778 /nfs/dbraw/zinc/86/47/78/887864778.db2.gz UKJJYBYTNYXRIZ-GFCCVEGCSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001375220780 887864816 /nfs/dbraw/zinc/86/48/16/887864816.db2.gz AWLLPEYVBODLNU-GHMZBOCLSA-N 0 3 285.344 -1.238 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001375204529 887864987 /nfs/dbraw/zinc/86/49/87/887864987.db2.gz YMIBDRKORMJRAJ-GMSGAONNSA-N 0 3 270.333 -1.519 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](NC(=O)CCc1nnc[n-]1)C1CC1 ZINC001375224618 887865320 /nfs/dbraw/zinc/86/53/20/887865320.db2.gz YCYNYPBPCTUHAY-JTQLQIEISA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001375154777 887865555 /nfs/dbraw/zinc/86/55/55/887865555.db2.gz QCDRQGGYRLMTMA-DTWKUNHWSA-N 0 3 279.362 -1.893 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001375269120 887865666 /nfs/dbraw/zinc/86/56/66/887865666.db2.gz JEPKOWLVHXNSIB-QWRGUYRKSA-N 0 3 296.371 -1.115 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)Cn1cncn1 ZINC001375152489 887866246 /nfs/dbraw/zinc/86/62/46/887866246.db2.gz YFRTVQPASNGFFN-QWRGUYRKSA-N 0 3 285.348 -1.278 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001375212611 887866016 /nfs/dbraw/zinc/86/60/16/887866016.db2.gz FNJYWILYMJSOKF-ZJUUUORDSA-N 0 3 282.344 -1.505 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001375220782 887866099 /nfs/dbraw/zinc/86/60/99/887866099.db2.gz AWLLPEYVBODLNU-MNOVXSKESA-N 0 3 285.344 -1.238 20 0 CAADHN CO[C@H](C)C(=O)N[C@@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001375204388 887866147 /nfs/dbraw/zinc/86/61/47/887866147.db2.gz CLBOQBAVOHAHIL-APPZFPTMSA-N 0 3 286.332 -1.299 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001375228082 887866356 /nfs/dbraw/zinc/86/63/56/887866356.db2.gz JGMBVQBNCABVFL-NXEZZACHSA-N 0 3 282.344 -1.518 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001375269122 887866781 /nfs/dbraw/zinc/86/67/81/887866781.db2.gz JEPKOWLVHXNSIB-WDEREUQCSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)c1cnn(C)c1N)C1CC1)C(N)=O ZINC001375216272 887866549 /nfs/dbraw/zinc/86/65/49/887866549.db2.gz HLULFEOCNJMSIV-OIBJUYFYSA-N 0 3 294.359 -1.026 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001375243043 887866843 /nfs/dbraw/zinc/86/68/43/887866843.db2.gz QRWBPUXCZIQBNZ-SECBINFHSA-N 0 3 295.343 -1.030 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001375224312 887867041 /nfs/dbraw/zinc/86/70/41/887867041.db2.gz LZEMSBOUFBKADG-JTQLQIEISA-N 0 3 295.347 -1.706 20 0 CAADHN CC[C@@H](NC1(CNC(=O)c2cn(C)nn2)CC1)C(N)=O ZINC001375412000 887873990 /nfs/dbraw/zinc/87/39/90/887873990.db2.gz BSBBNZQJACHJEJ-MRVPVSSYSA-N 0 3 280.332 -1.069 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001375409934 887875345 /nfs/dbraw/zinc/87/53/45/887875345.db2.gz OGNYZTUWJBOYJV-KXUCPTDWSA-N 0 3 297.359 -1.760 20 0 CAADHN CCN1CC[C@H]1CN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001375478248 887878834 /nfs/dbraw/zinc/87/88/34/887878834.db2.gz ZEHSIWCWOYCIIR-JTQLQIEISA-N 0 3 292.405 -1.065 20 0 CAADHN CCN1CC[C@@H]1CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001375456294 887880382 /nfs/dbraw/zinc/88/03/82/887880382.db2.gz FRDADSZMDSDDLV-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@@H]2CCC(=O)N2)CC1)C(N)=O ZINC001375531859 887881534 /nfs/dbraw/zinc/88/15/34/887881534.db2.gz UJGGZPYYKRNMLL-BDAKNGLRSA-N 0 3 282.344 -1.233 20 0 CAADHN O=C(Cc1nnc[nH]1)N1CCC[C@H](N(CCO)CCO)C1 ZINC001375619022 887883262 /nfs/dbraw/zinc/88/32/62/887883262.db2.gz JDYCMKWWYRKRSY-NSHDSACASA-N 0 3 297.359 -1.375 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2nnc[n-]2)C1 ZINC001375527049 887883751 /nfs/dbraw/zinc/88/37/51/887883751.db2.gz RCYMDOWPBVDKMR-KYZUINATSA-N 0 3 280.332 -1.293 20 0 CAADHN C[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H](CNCC(N)=O)C1 ZINC001375594200 887883864 /nfs/dbraw/zinc/88/38/64/887883864.db2.gz YGBFVRIGASLWDZ-BDAKNGLRSA-N 0 3 295.347 -1.474 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)COCc2nncn2C)CCN1CCO ZINC001375665783 887886302 /nfs/dbraw/zinc/88/63/02/887886302.db2.gz ZCLOKUYPIRNOLO-MNOVXSKESA-N 0 3 297.359 -1.097 20 0 CAADHN COC[C@H](O)CN1CC[C@](C)(NC(=O)Cn2cncn2)C1 ZINC001375853013 887888859 /nfs/dbraw/zinc/88/88/59/887888859.db2.gz ZRARZJYVEIERJE-YPMHNXCESA-N 0 3 297.359 -1.134 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001375738058 887888904 /nfs/dbraw/zinc/88/89/04/887888904.db2.gz ICRYYTSVHLOAPN-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CN1CCN(CC(=O)N[C@]2(C)CCN(CCO)C2)CC1=O ZINC001375828735 887889797 /nfs/dbraw/zinc/88/97/97/887889797.db2.gz LSWCLUQLDYDPBP-CQSZACIVSA-N 0 3 298.387 -1.667 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)CCNC(N)=O)C(N)=O ZINC001375768486 887889896 /nfs/dbraw/zinc/88/98/96/887889896.db2.gz TXACXDQPHMKFSW-IUCAKERBSA-N 0 3 285.348 -1.501 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)C1CS(=O)(=O)C1 ZINC001375747751 887890120 /nfs/dbraw/zinc/89/01/20/887890120.db2.gz ICDLASNXSHYATG-SECBINFHSA-N 0 3 289.357 -1.903 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001375768571 887890191 /nfs/dbraw/zinc/89/01/91/887890191.db2.gz LGJPQVGHOASHSI-SECBINFHSA-N 0 3 293.327 -1.207 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CN1CCOCC1 ZINC001375742305 887890271 /nfs/dbraw/zinc/89/02/71/887890271.db2.gz IZLKFLAAPRGNEG-LLVKDONJSA-N 0 3 284.360 -1.616 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@]1(C)CCC(=O)N1 ZINC001375764029 887890804 /nfs/dbraw/zinc/89/08/04/887890804.db2.gz YCBQSCOIJYJIMD-HZMBPMFUSA-N 0 3 296.371 -1.018 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@H]1CN[C@H](C)C(N)=O ZINC001375752108 887890974 /nfs/dbraw/zinc/89/09/74/887890974.db2.gz WHTSNFCZBDLNPU-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@H]1CCCOC1 ZINC001376003107 887892544 /nfs/dbraw/zinc/89/25/44/887892544.db2.gz GPXYSDBOVQSVGS-WCQYABFASA-N 0 3 272.345 -1.042 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001375992351 887892810 /nfs/dbraw/zinc/89/28/10/887892810.db2.gz ANMDACIRCCQJNL-JOYOIKCWSA-N 0 3 273.333 -1.944 20 0 CAADHN COCC(=O)NC[C@@]1(O)CCN(CCn2cncn2)C1 ZINC001375989485 887894011 /nfs/dbraw/zinc/89/40/11/887894011.db2.gz PKADZZHRYUXWGW-LBPRGKRZSA-N 0 3 283.332 -1.523 20 0 CAADHN CCC(=O)NCC1(NCC(=O)NC(N)=O)CCOCC1 ZINC001375954329 887894022 /nfs/dbraw/zinc/89/40/22/887894022.db2.gz HSDZRBJEMVYRJM-UHFFFAOYSA-N 0 3 286.332 -1.154 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@H]1CCCOC1 ZINC001376003103 887894406 /nfs/dbraw/zinc/89/44/06/887894406.db2.gz GPXYSDBOVQSVGS-AAEUAGOBSA-N 0 3 272.345 -1.042 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cn2ccnc2)CCOCC1 ZINC001375982011 887894457 /nfs/dbraw/zinc/89/44/57/887894457.db2.gz JYHZMRJNYQJPSD-UHFFFAOYSA-N 0 3 295.343 -1.377 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cc2ncc[nH]2)CCOCC1 ZINC001375981272 887894596 /nfs/dbraw/zinc/89/45/96/887894596.db2.gz QMGDXXPJVWYTJR-UHFFFAOYSA-N 0 3 295.343 -1.308 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2cnns2)CCOCC1 ZINC001375965352 887894694 /nfs/dbraw/zinc/89/46/94/887894694.db2.gz QYHUNBPMJPIKCF-UHFFFAOYSA-N 0 3 299.356 -1.108 20 0 CAADHN Cc1nnc(CC(=O)NC[C@@]2(O)CCN(CCO)C2)o1 ZINC001376036427 887897941 /nfs/dbraw/zinc/89/79/41/887897941.db2.gz MBZXVKPGXWSXRJ-LBPRGKRZSA-N 0 3 284.316 -1.534 20 0 CAADHN Cc1cnn(CC(=O)NC[C@@]2(O)CCN(CCO)C2)c1 ZINC001376003913 887899693 /nfs/dbraw/zinc/89/96/93/887899693.db2.gz HMYMFIIOYFLQNO-ZDUSSCGKSA-N 0 3 282.344 -1.263 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001376096591 887902648 /nfs/dbraw/zinc/90/26/48/887902648.db2.gz SNJUSOCELDBNRJ-CYBMUJFWSA-N 0 3 282.344 -1.194 20 0 CAADHN CCCN(C)CC(=O)NC[C@]1(O)CCN(CC(N)=O)C1 ZINC001376086774 887902979 /nfs/dbraw/zinc/90/29/79/887902979.db2.gz BTQQYWBHSRNOII-CYBMUJFWSA-N 0 3 286.376 -1.634 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001376112082 887903207 /nfs/dbraw/zinc/90/32/07/887903207.db2.gz QUFBEVRJYLSVJK-NXEZZACHSA-N 0 3 296.327 -1.006 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H]1CCN(CCCO)C1 ZINC001376129642 887906161 /nfs/dbraw/zinc/90/61/61/887906161.db2.gz PMJVCIGVQAIYJC-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001376138405 887908755 /nfs/dbraw/zinc/90/87/55/887908755.db2.gz FZMAZVGAZMEKLQ-IJLUTSLNSA-N 0 3 299.371 -1.195 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001376142705 887909415 /nfs/dbraw/zinc/90/94/15/887909415.db2.gz HEMDDJOBJDMWFJ-VHSXEESVSA-N 0 3 298.343 -1.063 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001376142707 887910240 /nfs/dbraw/zinc/91/02/40/887910240.db2.gz HEMDDJOBJDMWFJ-ZJUUUORDSA-N 0 3 298.343 -1.063 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001376157714 887910394 /nfs/dbraw/zinc/91/03/94/887910394.db2.gz VRTAETLJXHFEDG-VHSXEESVSA-N 0 3 293.389 -1.374 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001376152882 887910881 /nfs/dbraw/zinc/91/08/81/887910881.db2.gz NFMHYXBCXHIIAZ-GHMZBOCLSA-N 0 3 297.359 -1.097 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001376194519 887912177 /nfs/dbraw/zinc/91/21/77/887912177.db2.gz FTTSEQWTRMQCER-GHMZBOCLSA-N 0 3 296.371 -1.162 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001376194520 887912745 /nfs/dbraw/zinc/91/27/45/887912745.db2.gz FTTSEQWTRMQCER-MNOVXSKESA-N 0 3 296.371 -1.162 20 0 CAADHN COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001376158856 887912975 /nfs/dbraw/zinc/91/29/75/887912975.db2.gz HEVKCBLPDBTPSN-VHSXEESVSA-N 0 3 283.332 -1.455 20 0 CAADHN COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001376158856 887912979 /nfs/dbraw/zinc/91/29/79/887912979.db2.gz HEVKCBLPDBTPSN-VHSXEESVSA-N 0 3 283.332 -1.455 20 0 CAADHN Cn1cc(C(=O)NC[C@H](N[C@H]2CCNC2=O)C2CC2)nn1 ZINC001376213478 887915147 /nfs/dbraw/zinc/91/51/47/887915147.db2.gz ZGQINJVJKWCKTF-UWVGGRQHSA-N 0 3 292.343 -1.198 20 0 CAADHN Cn1cc(C(=O)NC[C@H](N[C@@H]2CCNC2=O)C2CC2)nn1 ZINC001376213484 887915307 /nfs/dbraw/zinc/91/53/07/887915307.db2.gz ZGQINJVJKWCKTF-ZJUUUORDSA-N 0 3 292.343 -1.198 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001376210605 887915363 /nfs/dbraw/zinc/91/53/63/887915363.db2.gz FCMAMUSYKUKHGT-UWVGGRQHSA-N 0 3 282.344 -1.518 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](NCC(=O)NC)C1CC1 ZINC001376199937 887915708 /nfs/dbraw/zinc/91/57/08/887915708.db2.gz OYAWOUHNCNQXAH-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001376210609 887915815 /nfs/dbraw/zinc/91/58/15/887915815.db2.gz FCMAMUSYKUKHGT-VHSXEESVSA-N 0 3 282.344 -1.518 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CN(C)C(C)=O)C1CC1 ZINC001376206746 887916279 /nfs/dbraw/zinc/91/62/79/887916279.db2.gz XZCFEIAAZXRGLD-LLVKDONJSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001376243770 887918024 /nfs/dbraw/zinc/91/80/24/887918024.db2.gz VENQLZYUPGEYBB-NXEZZACHSA-N 0 3 297.359 -1.760 20 0 CAADHN CCCN(C)CC(=O)NCC1(O)CN([C@H]2CCNC2=O)C1 ZINC001376267114 887918508 /nfs/dbraw/zinc/91/85/08/887918508.db2.gz HRXIBLWPIJDFFV-NSHDSACASA-N 0 3 298.387 -1.620 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001376244280 887918526 /nfs/dbraw/zinc/91/85/26/887918526.db2.gz VENQLZYUPGEYBB-VHSXEESVSA-N 0 3 297.359 -1.760 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC(C)C)C1 ZINC001376308571 887920825 /nfs/dbraw/zinc/92/08/25/887920825.db2.gz ZWEOSURPBZSLRJ-NSHDSACASA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001376304211 887920860 /nfs/dbraw/zinc/92/08/60/887920860.db2.gz JSJHEOHVJZZFKF-UWVGGRQHSA-N 0 3 297.359 -1.712 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001376312256 887921917 /nfs/dbraw/zinc/92/19/17/887921917.db2.gz CRAINSYOJIRJHZ-WPRPVWTQSA-N 0 3 294.359 -1.019 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001376312306 887922338 /nfs/dbraw/zinc/92/23/38/887922338.db2.gz PPZQICAWBPJYRR-RYUDHWBXSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001376313109 887922450 /nfs/dbraw/zinc/92/24/50/887922450.db2.gz GFDHUEMDDHTYNR-QMMMGPOBSA-N 0 3 277.346 -2.033 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001376317673 887922460 /nfs/dbraw/zinc/92/24/60/887922460.db2.gz HSMCVRZFZUDPJG-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN COCC(=O)N1CC[C@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001376306428 887922469 /nfs/dbraw/zinc/92/24/69/887922469.db2.gz QRQBJTROIPOQHI-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001376304213 887922471 /nfs/dbraw/zinc/92/24/71/887922471.db2.gz JSJHEOHVJZZFKF-VHSXEESVSA-N 0 3 297.359 -1.712 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001376321397 887922475 /nfs/dbraw/zinc/92/24/75/887922475.db2.gz RWTDPGICBJXXJW-RYUDHWBXSA-N 0 3 298.387 -1.404 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001376304209 887922480 /nfs/dbraw/zinc/92/24/80/887922480.db2.gz JSJHEOHVJZZFKF-NXEZZACHSA-N 0 3 297.359 -1.712 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001376313058 887922592 /nfs/dbraw/zinc/92/25/92/887922592.db2.gz FRXOOUNCZJCRST-JTQLQIEISA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001376334902 887924377 /nfs/dbraw/zinc/92/43/77/887924377.db2.gz XUPBXLCLGWQUAM-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001376340049 887924614 /nfs/dbraw/zinc/92/46/14/887924614.db2.gz JKIBULSQHPULJO-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001376342165 887924992 /nfs/dbraw/zinc/92/49/92/887924992.db2.gz IURZOGZQNTWDHM-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001376334904 887925003 /nfs/dbraw/zinc/92/50/03/887925003.db2.gz XUPBXLCLGWQUAM-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN O=C(C[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1)NC1CC1 ZINC001376395280 887925369 /nfs/dbraw/zinc/92/53/69/887925369.db2.gz FKDJUVWRRVYNIH-MGCOHNPYSA-N 0 3 292.343 -1.137 20 0 CAADHN CCN1CCC[C@](CO)(NC(=O)CNC(=O)NC)C1 ZINC001376468003 887931665 /nfs/dbraw/zinc/93/16/65/887931665.db2.gz PUYBJVWAHSVLOQ-LBPRGKRZSA-N 0 3 272.349 -1.122 20 0 CAADHN CCOCC(=O)N(CCO)CCN[C@H]1CCN(C)C1=O ZINC001376531419 887937268 /nfs/dbraw/zinc/93/72/68/887937268.db2.gz MFEKNOYPOUECPU-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN COCCC(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001376531999 887937426 /nfs/dbraw/zinc/93/74/26/887937426.db2.gz OCDBRGXTUMBFKY-SNVBAGLBSA-N 0 3 273.333 -1.678 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)OC)N(C)C ZINC001376520405 887937628 /nfs/dbraw/zinc/93/76/28/887937628.db2.gz IUOIJDBEZNHDJM-VWYCJHECSA-N 0 3 289.376 -1.045 20 0 CAADHN COCCC(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001376531995 887937851 /nfs/dbraw/zinc/93/78/51/887937851.db2.gz OCDBRGXTUMBFKY-JTQLQIEISA-N 0 3 273.333 -1.678 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNC(=O)[C@H](C)OC)N(C)C ZINC001376520398 887937896 /nfs/dbraw/zinc/93/78/96/887937896.db2.gz IUOIJDBEZNHDJM-AXFHLTTASA-N 0 3 289.376 -1.045 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001376506969 887937967 /nfs/dbraw/zinc/93/79/67/887937967.db2.gz PEOXNGSHYUMHHV-DTORHVGOSA-N 0 3 295.347 -1.390 20 0 CAADHN Cc1ccnc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)n1 ZINC001376532679 887938883 /nfs/dbraw/zinc/93/88/83/887938883.db2.gz BOESCBCYAQYDJF-SNVBAGLBSA-N 0 3 295.343 -1.317 20 0 CAADHN Cc1ccnc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)n1 ZINC001376532670 887939078 /nfs/dbraw/zinc/93/90/78/887939078.db2.gz BOESCBCYAQYDJF-JTQLQIEISA-N 0 3 295.343 -1.317 20 0 CAADHN CCC(=O)N(CCO)CCN[C@H](C)C(=O)NC(=O)NC ZINC001376532571 887939289 /nfs/dbraw/zinc/93/92/89/887939289.db2.gz PHENXYOJDFUPEP-SECBINFHSA-N 0 3 288.348 -1.349 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001376530517 887939948 /nfs/dbraw/zinc/93/99/48/887939948.db2.gz IURFFMTUPKJZEU-LLVKDONJSA-N 0 3 297.359 -1.042 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)c2cocn2)C1=O ZINC001376536105 887940011 /nfs/dbraw/zinc/94/00/11/887940011.db2.gz GFHGBEMZHKLIJB-SNVBAGLBSA-N 0 3 296.327 -1.071 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1ccnn1C ZINC001376544433 887941018 /nfs/dbraw/zinc/94/10/18/887941018.db2.gz YGVPPBISYWNZKN-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN C[C@H](NC[C@H]1CCCCN1C(=O)Cn1cnnn1)C(N)=O ZINC001376588240 887941299 /nfs/dbraw/zinc/94/12/99/887941299.db2.gz CUVFHIAPVXTAHS-VHSXEESVSA-N 0 3 295.347 -1.482 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ccn(C)n1)C(N)=O ZINC001376549678 887941324 /nfs/dbraw/zinc/94/13/24/887941324.db2.gz PGSQBSBHMODNFO-VIFPVBQESA-N 0 3 283.332 -1.682 20 0 CAADHN CCn1ncc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)n1 ZINC001376540147 887941375 /nfs/dbraw/zinc/94/13/75/887941375.db2.gz OUEPGVAYCJGIER-SECBINFHSA-N 0 3 298.347 -1.804 20 0 CAADHN Cc1nc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)co1 ZINC001376539940 887941690 /nfs/dbraw/zinc/94/16/90/887941690.db2.gz MWYOHFAZDCEMJG-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN O=C(Cc1cnoc1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001376553121 887941966 /nfs/dbraw/zinc/94/19/66/887941966.db2.gz XYGOCWWZYSSULS-LLVKDONJSA-N 0 3 296.327 -1.484 20 0 CAADHN CCc1cc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)[nH]n1 ZINC001376539175 887942173 /nfs/dbraw/zinc/94/21/73/887942173.db2.gz LXUMAXUKZWOIEH-SECBINFHSA-N 0 3 297.359 -1.130 20 0 CAADHN Cc1nc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)co1 ZINC001376538181 887942364 /nfs/dbraw/zinc/94/23/64/887942364.db2.gz JNTJTCWHFIXICI-QMMMGPOBSA-N 0 3 284.316 -1.119 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1[nH]cnc1C ZINC001376549693 887942566 /nfs/dbraw/zinc/94/25/66/887942566.db2.gz PUZXTYNGSRWTLW-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cnon1)C(=O)N(C)C ZINC001376545794 887942658 /nfs/dbraw/zinc/94/26/58/887942658.db2.gz BUMHGGYNLWYJJC-VIFPVBQESA-N 0 3 299.331 -1.430 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001376552687 887943135 /nfs/dbraw/zinc/94/31/35/887943135.db2.gz WQIMXQHBZJTRFC-SFYZADRCSA-N 0 3 287.320 -3.048 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N(CCO)CCN[C@H]1CCNC1=O ZINC001376549309 887943178 /nfs/dbraw/zinc/94/31/78/887943178.db2.gz MMKCQRIORLRCEP-DTWKUNHWSA-N 0 3 299.331 -3.033 20 0 CAADHN Cc1nc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)co1 ZINC001376538179 887943226 /nfs/dbraw/zinc/94/32/26/887943226.db2.gz JNTJTCWHFIXICI-MRVPVSSYSA-N 0 3 284.316 -1.119 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1[nH]cnc1C ZINC001376549694 887943338 /nfs/dbraw/zinc/94/33/38/887943338.db2.gz PUZXTYNGSRWTLW-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ncn(C)n1)C(N)=O ZINC001376539170 887943392 /nfs/dbraw/zinc/94/33/92/887943392.db2.gz LUZACPURKPLCCL-QMMMGPOBSA-N 0 3 284.320 -2.287 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001376552691 887943424 /nfs/dbraw/zinc/94/34/24/887943424.db2.gz WQIMXQHBZJTRFC-YUMQZZPRSA-N 0 3 287.320 -3.048 20 0 CAADHN O=C(c1cnon1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001376551215 887943437 /nfs/dbraw/zinc/94/34/37/887943437.db2.gz QXASPWXHZQTHPW-MRVPVSSYSA-N 0 3 283.288 -2.018 20 0 CAADHN O=C([C@H]1CCCCO1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001376540629 887943527 /nfs/dbraw/zinc/94/35/27/887943527.db2.gz QHMFHRKCDKJZPD-VXGBXAGGSA-N 0 3 299.371 -1.146 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cc1cccnc1)C(N)=O ZINC001376541625 887943578 /nfs/dbraw/zinc/94/35/78/887943578.db2.gz SEJGGLFEGDBFEV-LLVKDONJSA-N 0 3 294.355 -1.092 20 0 CAADHN O=C(Cc1cnoc1)N(CCO)CCN[C@H]1CCNC1=O ZINC001376553137 887943679 /nfs/dbraw/zinc/94/36/79/887943679.db2.gz XYGOCWWZYSSULS-NSHDSACASA-N 0 3 296.327 -1.484 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001376600556 887943751 /nfs/dbraw/zinc/94/37/51/887943751.db2.gz FQTXUQKQUZULQF-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001376601513 887945350 /nfs/dbraw/zinc/94/53/50/887945350.db2.gz OFWDAVXTTDFZKM-MNOVXSKESA-N 0 3 296.371 -1.031 20 0 CAADHN O=C(c1csnn1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001376629657 887946061 /nfs/dbraw/zinc/94/60/61/887946061.db2.gz KKLYUXOZHCPFOW-MRVPVSSYSA-N 0 3 299.356 -1.549 20 0 CAADHN Cc1n[nH]nc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001376618924 887946367 /nfs/dbraw/zinc/94/63/67/887946367.db2.gz FBTWKOHCHDJCNU-VIFPVBQESA-N 0 3 296.331 -1.974 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001376694712 887948048 /nfs/dbraw/zinc/94/80/48/887948048.db2.gz OQXFGRPCKGTWBM-IUCAKERBSA-N 0 3 284.360 -1.116 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001376694710 887948512 /nfs/dbraw/zinc/94/85/12/887948512.db2.gz OQXFGRPCKGTWBM-DTWKUNHWSA-N 0 3 284.360 -1.116 20 0 CAADHN CNC(=O)NCCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001376678005 887948707 /nfs/dbraw/zinc/94/87/07/887948707.db2.gz QWGDRRGPGZDJLM-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1=O)N[C@H]1CCNC1=O ZINC001376695565 887949066 /nfs/dbraw/zinc/94/90/66/887949066.db2.gz QUOQOTULLCUNSY-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1=O)N[C@@H]1CCNC1=O ZINC001376695569 887949157 /nfs/dbraw/zinc/94/91/57/887949157.db2.gz QUOQOTULLCUNSY-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)NCC(=O)N1CCC1 ZINC001376687803 887949230 /nfs/dbraw/zinc/94/92/30/887949230.db2.gz FGSONWQNBUZJJO-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)c1ccn[nH]1 ZINC001376690616 887949316 /nfs/dbraw/zinc/94/93/16/887949316.db2.gz AOVGPVGTHSMRSL-SFYZADRCSA-N 0 3 296.331 -1.038 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CNC(=O)OC ZINC001376697477 887949405 /nfs/dbraw/zinc/94/94/05/887949405.db2.gz UWXAKVLKHNERBU-JGVFFNPUSA-N 0 3 274.321 -1.429 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)Cn1cnnn1 ZINC001376690335 887949424 /nfs/dbraw/zinc/94/94/24/887949424.db2.gz LKWXBYUYIYJKGC-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC1CC1 ZINC001376672696 887949446 /nfs/dbraw/zinc/94/94/46/887949446.db2.gz BPRZBTRPDKXRJZ-IUCAKERBSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@H](NC[C@H]1CCCCN1C(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001376674731 887949525 /nfs/dbraw/zinc/94/95/25/887949525.db2.gz ISXOUGYQVJRHGV-LPEHRKFASA-N 0 3 299.375 -1.112 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001376691680 887949604 /nfs/dbraw/zinc/94/96/04/887949604.db2.gz DAOKCKJXVHYPIS-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CNC(=O)OC ZINC001376697485 887949845 /nfs/dbraw/zinc/94/98/45/887949845.db2.gz UWXAKVLKHNERBU-YUMQZZPRSA-N 0 3 274.321 -1.429 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CC1OCCCO1 ZINC001376721818 887952058 /nfs/dbraw/zinc/95/20/58/887952058.db2.gz IJVWXCNXJLGKLQ-SECBINFHSA-N 0 3 273.333 -1.020 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001376702516 887952071 /nfs/dbraw/zinc/95/20/71/887952071.db2.gz RNYOIXRQSVCSLG-SECBINFHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N[C@@H]1CCCN(C)C1=O ZINC001376722828 887952147 /nfs/dbraw/zinc/95/21/47/887952147.db2.gz JEUDBIFNUDXYMM-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1)N[C@H]1CCNC1=O ZINC001376708985 887952240 /nfs/dbraw/zinc/95/22/40/887952240.db2.gz GAOODWWEDOIIGA-QWRGUYRKSA-N 0 3 284.360 -1.699 20 0 CAADHN C[C@H](CNC(=O)Cc1ccn(C)n1)NCC(=O)NC(N)=O ZINC001376716517 887952478 /nfs/dbraw/zinc/95/24/78/887952478.db2.gz JXBPCZJVCVIIPA-MRVPVSSYSA-N 0 3 296.331 -1.748 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC ZINC001376715530 887952504 /nfs/dbraw/zinc/95/25/04/887952504.db2.gz JLQWCCFAQSSPCK-RKDXNWHRSA-N 0 3 287.364 -1.466 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)ncn1 ZINC001376707234 887952636 /nfs/dbraw/zinc/95/26/36/887952636.db2.gz HUBNUZPBAJQBJV-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1N)N[C@@H]1CCCNC1=O ZINC001376709243 887952825 /nfs/dbraw/zinc/95/28/25/887952825.db2.gz CRQDYJYLHDHGBD-PSASIEDQSA-N 0 3 294.359 -1.011 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CC1OCCCO1 ZINC001376721821 887953117 /nfs/dbraw/zinc/95/31/17/887953117.db2.gz IJVWXCNXJLGKLQ-VIFPVBQESA-N 0 3 273.333 -1.020 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1N)N[C@@H]1CCCNC1=O ZINC001376709253 887953193 /nfs/dbraw/zinc/95/31/93/887953193.db2.gz CRQDYJYLHDHGBD-WCBMZHEXSA-N 0 3 294.359 -1.011 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1N)N[C@H]1CCCNC1=O ZINC001376709259 887953308 /nfs/dbraw/zinc/95/33/08/887953308.db2.gz CRQDYJYLHDHGBD-WPRPVWTQSA-N 0 3 294.359 -1.011 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)NCCS(C)(=O)=O ZINC001376712335 887953639 /nfs/dbraw/zinc/95/36/39/887953639.db2.gz BIEOXLNMRJILMB-MRVPVSSYSA-N 0 3 289.361 -1.432 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1)N[C@H]1CCNC1=O ZINC001376708981 887953811 /nfs/dbraw/zinc/95/38/11/887953811.db2.gz GAOODWWEDOIIGA-MNOVXSKESA-N 0 3 284.360 -1.699 20 0 CAADHN CNC(=O)NCC(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001376741883 887955853 /nfs/dbraw/zinc/95/58/53/887955853.db2.gz BNAWZBVUYCFCTD-UHFFFAOYSA-N 0 3 299.375 -1.368 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1CCC(=O)NC1)NCC(N)=O ZINC001376741302 887955958 /nfs/dbraw/zinc/95/59/58/887955958.db2.gz CPCQVCAFGHZTSE-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001376770804 887956036 /nfs/dbraw/zinc/95/60/36/887956036.db2.gz HRECRMMBFAPLOS-SECBINFHSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CCC(=O)NC2)CCC1 ZINC001376753724 887956083 /nfs/dbraw/zinc/95/60/83/887956083.db2.gz BMULWLAQEITMRG-VIFPVBQESA-N 0 3 282.344 -1.374 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cnc2n[nH]nc2c1 ZINC001376739456 887956631 /nfs/dbraw/zinc/95/66/31/887956631.db2.gz KURDXCWAAMMXDQ-SSDOTTSWSA-N 0 3 291.315 -1.193 20 0 CAADHN C[C@@H](CNC(=O)c1cnc[n-]c1=O)[NH2+]CC(=O)N(C)C ZINC001376745418 887956663 /nfs/dbraw/zinc/95/66/63/887956663.db2.gz HAEDMHHKQQNNIJ-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)NCC(N)=O ZINC001376734059 887956717 /nfs/dbraw/zinc/95/67/17/887956717.db2.gz UBIPRVCRHKZQCX-SSDOTTSWSA-N 0 3 283.336 -1.379 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001376785890 887956873 /nfs/dbraw/zinc/95/68/73/887956873.db2.gz QGLMWAMIJZKHRU-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CC1CS(=O)(=O)C1)C(N)=O ZINC001376756718 887956889 /nfs/dbraw/zinc/95/68/89/887956889.db2.gz KPXZEZNQHCCWBM-JGVFFNPUSA-N 0 3 291.373 -1.611 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001376749157 887957123 /nfs/dbraw/zinc/95/71/23/887957123.db2.gz UWRWAIMIUANKDA-DTWKUNHWSA-N 0 3 288.348 -1.941 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cnc2n[nH]nc2c1 ZINC001376739460 887957327 /nfs/dbraw/zinc/95/73/27/887957327.db2.gz KURDXCWAAMMXDQ-ZETCQYMHSA-N 0 3 291.315 -1.193 20 0 CAADHN COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001376747381 887957413 /nfs/dbraw/zinc/95/74/13/887957413.db2.gz JIVCDXCIYPSKOF-BDAKNGLRSA-N 0 3 284.316 -1.103 20 0 CAADHN C[C@H](CNC(=O)C[C@H]1CCC(=O)NC1)NCC(N)=O ZINC001376741310 887957560 /nfs/dbraw/zinc/95/75/60/887957560.db2.gz CPCQVCAFGHZTSE-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(=O)NC1CC1 ZINC001376730245 887957765 /nfs/dbraw/zinc/95/77/65/887957765.db2.gz JGDSAFHQLSYGQL-NXEZZACHSA-N 0 3 296.371 -1.162 20 0 CAADHN CCn1ccnc1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001376727425 887958057 /nfs/dbraw/zinc/95/80/57/887958057.db2.gz UVVGZXNTABXADA-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCn1cnnn1 ZINC001376838204 887959321 /nfs/dbraw/zinc/95/93/21/887959321.db2.gz RFUBRUNRNGUENR-DTWKUNHWSA-N 0 3 283.336 -1.708 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C2CCOCC2)CCO1 ZINC001376831977 887959381 /nfs/dbraw/zinc/95/93/81/887959381.db2.gz ONIGKJUCEFRGJV-LLVKDONJSA-N 0 3 285.344 -1.285 20 0 CAADHN NC(=O)NC(=O)CNC[C@H]1CN(C(=O)C2CC2)CCO1 ZINC001376831989 887959426 /nfs/dbraw/zinc/95/94/26/887959426.db2.gz OPYOXTLJRPUJMU-VIFPVBQESA-N 0 3 284.316 -1.592 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001376822877 887959634 /nfs/dbraw/zinc/95/96/34/887959634.db2.gz ODKJZZOWXZUMSJ-SFYZADRCSA-N 0 3 272.349 -1.131 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCn1cnnn1 ZINC001376838210 887959815 /nfs/dbraw/zinc/95/98/15/887959815.db2.gz RFUBRUNRNGUENR-IUCAKERBSA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(=O)N(C)C ZINC001376807038 887959895 /nfs/dbraw/zinc/95/98/95/887959895.db2.gz SEWVWGBLXMXVMH-QMMMGPOBSA-N 0 3 281.316 -1.434 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001376799016 887960044 /nfs/dbraw/zinc/96/00/44/887960044.db2.gz YLZKXJGFKBTPPD-MRVPVSSYSA-N 0 3 283.336 -1.556 20 0 CAADHN CC(=O)N1CCO[C@H](CNCC(=O)NC(=O)NC2CC2)C1 ZINC001376832935 887960399 /nfs/dbraw/zinc/96/03/99/887960399.db2.gz RAMGHRRKAXHFHD-LLVKDONJSA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@H](CNC(=O)c1cncn1C)N[C@@H](C)C(=O)NC(N)=O ZINC001376819461 887960491 /nfs/dbraw/zinc/96/04/91/887960491.db2.gz LLCGUBAWJCQYNS-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001376832599 887960539 /nfs/dbraw/zinc/96/05/39/887960539.db2.gz ZICRXPGCYWJECT-QMMMGPOBSA-N 0 3 296.331 -1.498 20 0 CAADHN C[C@@H](CNC(=O)c1[nH]ncc1F)NCc1nnn(C)n1 ZINC001376806025 887960757 /nfs/dbraw/zinc/96/07/57/887960757.db2.gz UBSNJGWEPVLEIW-LURJTMIESA-N 0 3 282.283 -1.020 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)Cc1c[nH]cn1 ZINC001376832598 887960863 /nfs/dbraw/zinc/96/08/63/887960863.db2.gz ZICRXPGCYWJECT-MRVPVSSYSA-N 0 3 296.331 -1.498 20 0 CAADHN CCCC[C@@H](N[C@@H](C)CNC(=O)c1nnn(C)n1)C(N)=O ZINC001376798125 887961035 /nfs/dbraw/zinc/96/10/35/887961035.db2.gz VSEFRELCFVMRRG-DTWKUNHWSA-N 0 3 297.363 -1.038 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001376834969 887961143 /nfs/dbraw/zinc/96/11/43/887961143.db2.gz HMOBBNZYXNBRDI-MWLCHTKSSA-N 0 3 295.343 -1.025 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCc2nnnn2CC1)NCC(N)=O ZINC001376797806 887961360 /nfs/dbraw/zinc/96/13/60/887961360.db2.gz FQZPCINWUWFBCN-IUCAKERBSA-N 0 3 295.347 -1.795 20 0 CAADHN C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001376844156 887962458 /nfs/dbraw/zinc/96/24/58/887962458.db2.gz PVHVENBZKWNOPD-NXEZZACHSA-N 0 3 296.327 -1.006 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCCCC1=O)NCC(N)=O ZINC001376858494 887962667 /nfs/dbraw/zinc/96/26/67/887962667.db2.gz CJQMIIKWLIXGCC-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001376851381 887962693 /nfs/dbraw/zinc/96/26/93/887962693.db2.gz UDZQJYZMZZQPSG-SECBINFHSA-N 0 3 297.319 -2.764 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cnnn2C)CCO1)C(N)=O ZINC001376848592 887962785 /nfs/dbraw/zinc/96/27/85/887962785.db2.gz NEJRHCMXJAAIFZ-DTWKUNHWSA-N 0 3 296.331 -1.881 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001376861658 887962871 /nfs/dbraw/zinc/96/28/71/887962871.db2.gz DIIGKIJLDAWZSG-RKDXNWHRSA-N 0 3 296.331 -1.582 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@]2(F)CCOC2)CCO1 ZINC001376867592 887964269 /nfs/dbraw/zinc/96/42/69/887964269.db2.gz NAEWJIOQRXKYRT-SKDRFNHKSA-N 0 3 289.307 -1.583 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cc(C)n[nH]2)CCO1 ZINC001376842361 887962920 /nfs/dbraw/zinc/96/29/20/887962920.db2.gz SCOBOPUFXWMIAU-SNVBAGLBSA-N 0 3 295.343 -1.105 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cc(C)[nH]n2)CCO1 ZINC001376842361 887962923 /nfs/dbraw/zinc/96/29/23/887962923.db2.gz SCOBOPUFXWMIAU-SNVBAGLBSA-N 0 3 295.343 -1.105 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2csnn2)CCO1 ZINC001376861966 887962993 /nfs/dbraw/zinc/96/29/93/887962993.db2.gz DWWDYHUDCBABDE-QMMMGPOBSA-N 0 3 299.356 -1.285 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001376868622 887963068 /nfs/dbraw/zinc/96/30/68/887963068.db2.gz OQLQUTGUNAMNJL-UWVGGRQHSA-N 0 3 298.343 -2.091 20 0 CAADHN CN1C[C@@H](C(=O)N2CCO[C@H](CNCC(N)=O)C2)CC1=O ZINC001376839601 887963226 /nfs/dbraw/zinc/96/32/26/887963226.db2.gz AFWLCJYELDVRLR-VHSXEESVSA-N 0 3 298.343 -2.233 20 0 CAADHN C[C@@]1(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CCC(=O)N1 ZINC001376844836 887963557 /nfs/dbraw/zinc/96/35/57/887963557.db2.gz PVHKPRWSMKPUNJ-ZANVPECISA-N 0 3 298.343 -2.043 20 0 CAADHN CC[C@@H](NC[C@H]1CN(C(=O)c2cnon2)CCO1)C(N)=O ZINC001376854406 887963580 /nfs/dbraw/zinc/96/35/80/887963580.db2.gz VPGFDXNMRVCPJQ-DTWKUNHWSA-N 0 3 297.315 -1.236 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CC2(F)F)CCO1 ZINC001376845058 887963657 /nfs/dbraw/zinc/96/36/57/887963657.db2.gz JKKCLRRQHBVGGO-HTQZYQBOSA-N 0 3 277.271 -1.056 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CC2(F)F)CCO1 ZINC001376845070 887963736 /nfs/dbraw/zinc/96/37/36/887963736.db2.gz JKKCLRRQHBVGGO-SFYZADRCSA-N 0 3 277.271 -1.056 20 0 CAADHN Cc1nc[nH]c1CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001376849499 887963813 /nfs/dbraw/zinc/96/38/13/887963813.db2.gz LKNZZAFIRMPZEB-SNVBAGLBSA-N 0 3 295.343 -1.437 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001376858903 887963833 /nfs/dbraw/zinc/96/38/33/887963833.db2.gz YAPYRMOQGIUUJV-NEPJUHHUSA-N 0 3 299.371 -1.072 20 0 CAADHN CN1C[C@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC1=O ZINC001376839602 887963899 /nfs/dbraw/zinc/96/38/99/887963899.db2.gz AFWLCJYELDVRLR-ZJUUUORDSA-N 0 3 298.343 -2.233 20 0 CAADHN C[C@H](CNC(=O)[C@@H](C)CN1CCOCC1)NCC(N)=O ZINC001376861346 887964018 /nfs/dbraw/zinc/96/40/18/887964018.db2.gz CVKJRAFTSHZUIB-WDEREUQCSA-N 0 3 286.376 -1.466 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)NCC1CC1 ZINC001376856920 887964050 /nfs/dbraw/zinc/96/40/50/887964050.db2.gz SEHXMXHRTGASHY-KOLCDFICSA-N 0 3 296.371 -1.115 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001376861587 887964068 /nfs/dbraw/zinc/96/40/68/887964068.db2.gz DIIGKIJLDAWZSG-BDAKNGLRSA-N 0 3 296.331 -1.582 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001376862294 887964078 /nfs/dbraw/zinc/96/40/78/887964078.db2.gz FXBICHKHFKJEAF-YUMQZZPRSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cnnn2C)CCO1)C(N)=O ZINC001376848597 887964196 /nfs/dbraw/zinc/96/41/96/887964196.db2.gz NEJRHCMXJAAIFZ-IUCAKERBSA-N 0 3 296.331 -1.881 20 0 CAADHN C[C@H](CNC(=O)CN1CCC(=O)NC1=O)NCC(N)=O ZINC001376844284 887964291 /nfs/dbraw/zinc/96/42/91/887964291.db2.gz NEZKFVCBIRVKLO-SSDOTTSWSA-N 0 3 285.304 -2.492 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cn(C)cn2)CCO1)C(N)=O ZINC001376851891 887964337 /nfs/dbraw/zinc/96/43/37/887964337.db2.gz HEBZYAQOKVOGPX-UWVGGRQHSA-N 0 3 295.343 -1.276 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001376868632 887964347 /nfs/dbraw/zinc/96/43/47/887964347.db2.gz OQLQUTGUNAMNJL-ZJUUUORDSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)N[C@@H]1CCCNC1=O ZINC001376858263 887964435 /nfs/dbraw/zinc/96/44/35/887964435.db2.gz CQAARFBBXKPHTE-NXEZZACHSA-N 0 3 280.332 -1.349 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001376844464 887964456 /nfs/dbraw/zinc/96/44/56/887964456.db2.gz QHJIBLVXXVYPSK-MRVPVSSYSA-N 0 3 282.304 -2.019 20 0 CAADHN CC[C@H](NC[C@H]1CN(C(=O)c2cnon2)CCO1)C(N)=O ZINC001376854408 887964471 /nfs/dbraw/zinc/96/44/71/887964471.db2.gz VPGFDXNMRVCPJQ-IUCAKERBSA-N 0 3 297.315 -1.236 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2ccnnc2)CCO1)C(N)=O ZINC001376847559 887964475 /nfs/dbraw/zinc/96/44/75/887964475.db2.gz UNPXERZJUJIIPE-GXSJLCMTSA-N 0 3 293.327 -1.219 20 0 CAADHN Cc1ncc(CC(=O)N2CCO[C@H](CNCC(N)=O)C2)o1 ZINC001376844744 887964481 /nfs/dbraw/zinc/96/44/81/887964481.db2.gz HZFLBQFPSWGAHP-LLVKDONJSA-N 0 3 296.327 -1.172 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001376858990 887964485 /nfs/dbraw/zinc/96/44/85/887964485.db2.gz YAPYRMOQGIUUJV-VXGBXAGGSA-N 0 3 299.371 -1.072 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@]2(F)CCOC2)CCO1 ZINC001376867588 887964551 /nfs/dbraw/zinc/96/45/51/887964551.db2.gz NAEWJIOQRXKYRT-JOYOIKCWSA-N 0 3 289.307 -1.583 20 0 CAADHN Cc1cnc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)cn1 ZINC001376846397 887964561 /nfs/dbraw/zinc/96/45/61/887964561.db2.gz YDDOOFFOWHPOLM-SNVBAGLBSA-N 0 3 293.327 -1.299 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001376898523 887966510 /nfs/dbraw/zinc/96/65/10/887966510.db2.gz PRSVBCSMZPYJRV-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001376895611 887967120 /nfs/dbraw/zinc/96/71/20/887967120.db2.gz JKVYPUONQRXATB-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ccn(C)n1 ZINC001376878392 887967216 /nfs/dbraw/zinc/96/72/16/887967216.db2.gz ISMRLTKLIVOXRT-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN COc1nc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)co1 ZINC001376877381 887967279 /nfs/dbraw/zinc/96/72/79/887967279.db2.gz VZCKOXFJBBAFHL-MRVPVSSYSA-N 0 3 298.299 -1.401 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001376917849 887967750 /nfs/dbraw/zinc/96/77/50/887967750.db2.gz JHGHPONTLWSJFA-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCCN(C)C2=O)C1 ZINC001376884085 887967766 /nfs/dbraw/zinc/96/77/66/887967766.db2.gz LBRUAVNVHWRKHT-RYUDHWBXSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CS(=O)(=O)NC ZINC001376874530 887967852 /nfs/dbraw/zinc/96/78/52/887967852.db2.gz YJUIFRWVQVTEIJ-JGVFFNPUSA-N 0 3 294.377 -2.236 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001376916500 887967911 /nfs/dbraw/zinc/96/79/11/887967911.db2.gz ZIWVWIFXFJZHJT-HZMBPMFUSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccnc1)N[C@@H](C)C(=O)NC(N)=O ZINC001376887678 887967929 /nfs/dbraw/zinc/96/79/29/887967929.db2.gz QXYLNADHJHUJMG-IUCAKERBSA-N 0 3 296.331 -1.439 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001376898794 887968048 /nfs/dbraw/zinc/96/80/48/887968048.db2.gz MFYUYQMMCQDCDA-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001376977086 887969440 /nfs/dbraw/zinc/96/94/40/887969440.db2.gz WUZSDVQSDSAOOY-SFYZADRCSA-N 0 3 292.361 -2.400 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001376967168 887969147 /nfs/dbraw/zinc/96/91/47/887969147.db2.gz JEIIDSUQMPRAIY-QMMMGPOBSA-N 0 3 292.361 -2.528 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001376946526 887970953 /nfs/dbraw/zinc/97/09/53/887970953.db2.gz ZWUACJNJLWSERL-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)C1CN(C(C)=O)C1 ZINC001377148698 887978733 /nfs/dbraw/zinc/97/87/33/887978733.db2.gz VDNJYXTZDUCKJZ-LBPRGKRZSA-N 0 3 287.360 -1.480 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)C1CN(C(C)=O)C1 ZINC001377148697 887979326 /nfs/dbraw/zinc/97/93/26/887979326.db2.gz VDNJYXTZDUCKJZ-GFCCVEGCSA-N 0 3 287.360 -1.480 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCN(C)CC(=O)NC(N)=O)C1 ZINC001377222691 887980924 /nfs/dbraw/zinc/98/09/24/887980924.db2.gz NLSZWDOFEIICLZ-SNVBAGLBSA-N 0 3 299.375 -1.429 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1ncn(C)n1 ZINC001377183568 887981098 /nfs/dbraw/zinc/98/10/98/887981098.db2.gz UXPPECATWJNVJZ-SECBINFHSA-N 0 3 271.321 -1.516 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001377179340 887981130 /nfs/dbraw/zinc/98/11/30/887981130.db2.gz FSGYNJWYZMLIIF-NSHDSACASA-N 0 3 286.376 -1.811 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cn2cnnn2)CCOCC1 ZINC001377193519 887981438 /nfs/dbraw/zinc/98/14/38/887981438.db2.gz WFGNUCDBEMHAQK-UHFFFAOYSA-N 0 3 297.319 -2.587 20 0 CAADHN CN(CCCO)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001377186490 887982446 /nfs/dbraw/zinc/98/24/46/887982446.db2.gz DUVHCSNDGMVEKQ-UHFFFAOYSA-N 0 3 284.316 -1.621 20 0 CAADHN CN(CCNC(=O)C1=NC(=O)N(C)C1)[C@H]1CCNC1=O ZINC001377213558 887982884 /nfs/dbraw/zinc/98/28/84/887982884.db2.gz MTNFSUKABPRMTM-VIFPVBQESA-N 0 3 281.316 -1.324 20 0 CAADHN CC[C@@H](C(=O)NCCN(C)CC(=O)NC(N)=O)N(C)C ZINC001377220098 887982940 /nfs/dbraw/zinc/98/29/40/887982940.db2.gz CDZYAUCIKBJOTM-VIFPVBQESA-N 0 3 287.364 -1.431 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C ZINC001377255460 887984976 /nfs/dbraw/zinc/98/49/76/887984976.db2.gz AQHXWFCDAPDIDI-DTWKUNHWSA-N 0 3 280.332 -1.389 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1C ZINC001377257736 887985287 /nfs/dbraw/zinc/98/52/87/887985287.db2.gz GJQLFNMWMGZZHJ-WDEREUQCSA-N 0 3 294.359 -1.149 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001377257421 887985394 /nfs/dbraw/zinc/98/53/94/887985394.db2.gz RZHPEEBAGLMHCO-IONNQARKSA-N 0 3 299.331 -2.246 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(=O)NC(N)=O)[C@@H](C)C1 ZINC001377257418 887985564 /nfs/dbraw/zinc/98/55/64/887985564.db2.gz RZHPEEBAGLMHCO-CBAPKCEASA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCCN(C)CCCO ZINC001377229673 887986124 /nfs/dbraw/zinc/98/61/24/887986124.db2.gz RFUACNVYDRLENP-SECBINFHSA-N 0 3 281.378 -1.646 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NCCN(C)CCCO ZINC001377229675 887986632 /nfs/dbraw/zinc/98/66/32/887986632.db2.gz RFUACNVYDRLENP-VIFPVBQESA-N 0 3 281.378 -1.646 20 0 CAADHN C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NCC(=O)N(C)C ZINC001377255899 887986649 /nfs/dbraw/zinc/98/66/49/887986649.db2.gz NYINGZKTCQQDRE-UWVGGRQHSA-N 0 3 295.347 -1.802 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](C)NC(=O)c1nnn(C)n1)N(C)C ZINC001377233579 887986665 /nfs/dbraw/zinc/98/66/65/887986665.db2.gz YQFALPQNEDQBCL-RKDXNWHRSA-N 0 3 297.363 -1.215 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1C[C@H](NCCF)[C@@H](C)C1 ZINC001377274871 887987892 /nfs/dbraw/zinc/98/78/92/887987892.db2.gz LKECOFLQNNDHJD-IUCAKERBSA-N 0 3 296.368 -1.554 20 0 CAADHN CC(C)c1nnnn1CC(=O)NCCN(C)CCO ZINC001377230483 887988042 /nfs/dbraw/zinc/98/80/42/887988042.db2.gz SDOCHKUMIRFJNX-UHFFFAOYSA-N 0 3 270.337 -1.163 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001377262369 887988155 /nfs/dbraw/zinc/98/81/55/887988155.db2.gz WZMDZGOXCQKMOU-VHSXEESVSA-N 0 3 299.375 -1.560 20 0 CAADHN CCN(CCNC(=O)c1cnnn1C)C[C@H](O)COC ZINC001377305015 887989302 /nfs/dbraw/zinc/98/93/02/887989302.db2.gz XTEQZMIPMGKVBV-JTQLQIEISA-N 0 3 285.348 -1.126 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C ZINC001377277825 887990740 /nfs/dbraw/zinc/99/07/40/887990740.db2.gz OLSHSWBYXLCFCB-APPZFPTMSA-N 0 3 280.332 -1.091 20 0 CAADHN CC[C@@H](C(=O)N[C@H](C)CNC(=O)c1nnn(C)n1)N(C)C ZINC001377336698 887990767 /nfs/dbraw/zinc/99/07/67/887990767.db2.gz IHRLNAREAUJUAQ-BDAKNGLRSA-N 0 3 297.363 -1.215 20 0 CAADHN CCN(CCNC(=O)Cn1ncn(C)c1=O)CCOC ZINC001377321699 887991112 /nfs/dbraw/zinc/99/11/12/887991112.db2.gz LHMWCICWRJRUNN-UHFFFAOYSA-N 0 3 285.348 -1.334 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C ZINC001377288922 887991889 /nfs/dbraw/zinc/99/18/89/887991889.db2.gz RSASTJRPTDCFFH-DTWKUNHWSA-N 0 3 285.348 -1.773 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001377402216 887993129 /nfs/dbraw/zinc/99/31/29/887993129.db2.gz YHYAMHKCVUPSIN-NXEZZACHSA-N 0 3 298.347 -1.588 20 0 CAADHN COC[C@H](O)CN1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001377402218 887993571 /nfs/dbraw/zinc/99/35/71/887993571.db2.gz YHYAMHKCVUPSIN-VHSXEESVSA-N 0 3 298.347 -1.588 20 0 CAADHN Cn1cnc(C(=O)N2CCC(O)(CNCC(N)=O)CC2)n1 ZINC001377346183 887993759 /nfs/dbraw/zinc/99/37/59/887993759.db2.gz MMGZYAXIIOAEGH-UHFFFAOYSA-N 0 3 296.331 -2.143 20 0 CAADHN Cc1nn(CC(=O)NC[C@@H]2CCCN2CCO)c(=O)n1C ZINC001377412869 887994634 /nfs/dbraw/zinc/99/46/34/887994634.db2.gz HZENFWJWOFQIAZ-NSHDSACASA-N 0 3 297.359 -1.537 20 0 CAADHN CC(=O)NCC(=O)NC[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001377426911 887996707 /nfs/dbraw/zinc/99/67/07/887996707.db2.gz ZUYMQBHPWKMZGA-VXGBXAGGSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001377468338 887997001 /nfs/dbraw/zinc/99/70/01/887997001.db2.gz MATTVBKWLGAPHG-IUCAKERBSA-N 0 3 280.332 -1.341 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001377426909 887998459 /nfs/dbraw/zinc/99/84/59/887998459.db2.gz ZUYMQBHPWKMZGA-NWDGAFQWSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001377468219 887998826 /nfs/dbraw/zinc/99/88/26/887998826.db2.gz MATTVBKWLGAPHG-BDAKNGLRSA-N 0 3 280.332 -1.341 20 0 CAADHN Cn1nccc1C(=O)NC1(CO)CCN(CCO)CC1 ZINC001377552111 888001142 /nfs/dbraw/zinc/00/11/42/888001142.db2.gz SUFSSWHCHSMBBQ-UHFFFAOYSA-N 0 3 282.344 -1.031 20 0 CAADHN CN1C[C@@H](C(=O)NCCN(CCO)C2CC2)NC1=O ZINC001377548867 888001225 /nfs/dbraw/zinc/00/12/25/888001225.db2.gz XXWGIECGRYKHCL-JTQLQIEISA-N 0 3 270.333 -1.417 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001377571183 888002763 /nfs/dbraw/zinc/00/27/63/888002763.db2.gz IIJIYOQXJLYHHT-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)NCCC(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001377581382 888003621 /nfs/dbraw/zinc/00/36/21/888003621.db2.gz WGBMVXAKAVMUKL-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cnc2n1CCOC2)C(N)=O ZINC001377573677 888003691 /nfs/dbraw/zinc/00/36/91/888003691.db2.gz KTVHICOBUDOTOR-SECBINFHSA-N 0 3 295.343 -1.051 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN(C)C(=O)C1CC1)C(N)=O ZINC001377575271 888003776 /nfs/dbraw/zinc/00/37/76/888003776.db2.gz DLEDJMRJZYTKKO-VIFPVBQESA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN(C)C(=O)C1CC1)C(N)=O ZINC001377575259 888003845 /nfs/dbraw/zinc/00/38/45/888003845.db2.gz DLEDJMRJZYTKKO-SECBINFHSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1nnn(C)n1)C(=O)NC1CC1 ZINC001377579019 888004054 /nfs/dbraw/zinc/00/40/54/888004054.db2.gz IPEABCFDBABQHQ-QMMMGPOBSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCNC(=O)CC1)C(N)=O ZINC001377584637 888004200 /nfs/dbraw/zinc/00/42/00/888004200.db2.gz BZGDNAYZHNCXLA-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001377595022 888004489 /nfs/dbraw/zinc/00/44/89/888004489.db2.gz LODODVJUBIWCGB-VIFPVBQESA-N 0 3 281.320 -1.871 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H](C)NC(N)=O)C(=O)N(C)C ZINC001377578627 888004520 /nfs/dbraw/zinc/00/45/20/888004520.db2.gz PKNNCLYZSMGPOP-BDAKNGLRSA-N 0 3 287.364 -1.432 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CNC(=O)OC ZINC001377579621 888004737 /nfs/dbraw/zinc/00/47/37/888004737.db2.gz XPRGHPVBMBRMTF-MRVPVSSYSA-N 0 3 274.321 -1.475 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001377581602 888004864 /nfs/dbraw/zinc/00/48/64/888004864.db2.gz UKFLTIOTUICLMY-NXEZZACHSA-N 0 3 282.344 -1.599 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccncn1)C(=O)NC(N)=O ZINC001377594155 888004919 /nfs/dbraw/zinc/00/49/19/888004919.db2.gz LRKWTSCNUVFUJX-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@@H](C)C(=O)NC ZINC001377575643 888004936 /nfs/dbraw/zinc/00/49/36/888004936.db2.gz DUQFIPWXPTWQOS-QMMMGPOBSA-N 0 3 273.337 -1.902 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001377576258 888004976 /nfs/dbraw/zinc/00/49/76/888004976.db2.gz BITSVDWYTSWAAT-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)Cn1ccccc1=O ZINC001377593523 888005011 /nfs/dbraw/zinc/00/50/11/888005011.db2.gz BLCFGDJFSSQXKA-NSHDSACASA-N 0 3 292.339 -1.215 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@H]1COC(=O)C1 ZINC001377595314 888005025 /nfs/dbraw/zinc/00/50/25/888005025.db2.gz XSGDPDLHOSFHKN-ZJUUUORDSA-N 0 3 283.328 -1.124 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001377581611 888005174 /nfs/dbraw/zinc/00/51/74/888005174.db2.gz UKFLTIOTUICLMY-ZJUUUORDSA-N 0 3 282.344 -1.599 20 0 CAADHN COc1c(C(=O)N(C)CCN[C@@H]2CCNC2=O)cnn1C ZINC001377587047 888005261 /nfs/dbraw/zinc/00/52/61/888005261.db2.gz BYIFQPFLTKWMHS-SNVBAGLBSA-N 0 3 295.343 -1.021 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001377582972 888005276 /nfs/dbraw/zinc/00/52/76/888005276.db2.gz VTUBFACRJQETPT-HTQZYQBOSA-N 0 3 271.321 -2.068 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001377581608 888005336 /nfs/dbraw/zinc/00/53/36/888005336.db2.gz UKFLTIOTUICLMY-VHSXEESVSA-N 0 3 282.344 -1.599 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCN[C@H](C)C(=O)N(C)C)C1 ZINC001377581434 888005437 /nfs/dbraw/zinc/00/54/37/888005437.db2.gz WJRTYGNBWYIWEF-SNVBAGLBSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001377597108 888005507 /nfs/dbraw/zinc/00/55/07/888005507.db2.gz VTTJSYLAOQJRPL-SFYZADRCSA-N 0 3 299.331 -2.233 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1nnn(C)c1C ZINC001377586450 888005651 /nfs/dbraw/zinc/00/56/51/888005651.db2.gz IUYMNLWXRMHOQN-MRVPVSSYSA-N 0 3 282.348 -1.080 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)Cc1nnc(C)[nH]1)C(N)=O ZINC001377581090 888005693 /nfs/dbraw/zinc/00/56/93/888005693.db2.gz VDPAFEMEGJYXIL-SECBINFHSA-N 0 3 282.348 -1.032 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001377587100 888005765 /nfs/dbraw/zinc/00/57/65/888005765.db2.gz CQEMSPBTHLNJBG-ZANVPECISA-N 0 3 282.344 -1.408 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)CCn1ccnn1 ZINC001377577559 888005807 /nfs/dbraw/zinc/00/58/07/888005807.db2.gz NAYBCNHDLZZIGJ-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@@H](CC)C(N)=O ZINC001377587929 888005874 /nfs/dbraw/zinc/00/58/74/888005874.db2.gz LEERIDCABNZMRG-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)CCNC(N)=O ZINC001377601618 888006127 /nfs/dbraw/zinc/00/61/27/888006127.db2.gz ZTMQPRLKEUODCO-VIFPVBQESA-N 0 3 285.348 -1.677 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CN1CCCNC1=O)C(N)=O ZINC001377655608 888008090 /nfs/dbraw/zinc/00/80/90/888008090.db2.gz OAMHGNNXBDIIQN-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CN(CCO)C[C@@H]1CCCN1C(=O)CN1CCOCC1=O ZINC001377643712 888008299 /nfs/dbraw/zinc/00/82/99/888008299.db2.gz WAZJRTVUUGXNSI-LBPRGKRZSA-N 0 3 299.371 -1.240 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](C)NC(=O)Cn1ncnn1 ZINC001377639657 888008826 /nfs/dbraw/zinc/00/88/26/888008826.db2.gz ZCYALDRJIMXAMB-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001377725871 888009252 /nfs/dbraw/zinc/00/92/52/888009252.db2.gz WJRJQDUKPKCZHX-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)Cn1cnnn1 ZINC001377749451 888011176 /nfs/dbraw/zinc/01/11/76/888011176.db2.gz GGVOOCGZCREWDQ-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001377813206 888011622 /nfs/dbraw/zinc/01/16/22/888011622.db2.gz VLIKXMUVCBWQOD-HTQZYQBOSA-N 0 3 281.316 -1.638 20 0 CAADHN C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001377828961 888012600 /nfs/dbraw/zinc/01/26/00/888012600.db2.gz ACNNHFIYGOFIAD-IUCAKERBSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001377819793 888013266 /nfs/dbraw/zinc/01/32/66/888013266.db2.gz SHIHFFHUCMHBKY-BDAKNGLRSA-N 0 3 298.347 -2.060 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)Cn2ncnn2)CC1 ZINC001377780004 888013863 /nfs/dbraw/zinc/01/38/63/888013863.db2.gz ARYNHLHUQVPQCX-UHFFFAOYSA-N 0 3 295.347 -1.671 20 0 CAADHN C[C@@H](NC(=O)CCn1cnnn1)[C@H](C)NCC(=O)N(C)C ZINC001377864296 888014810 /nfs/dbraw/zinc/01/48/10/888014810.db2.gz USSQAKQOLXDMQE-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cccc(=O)n1C ZINC001377856394 888014886 /nfs/dbraw/zinc/01/48/86/888014886.db2.gz QRZRYTDPQKNEHO-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)CCn1cnnn1 ZINC001377864294 888015393 /nfs/dbraw/zinc/01/53/93/888015393.db2.gz USSQAKQOLXDMQE-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@H](NCCF)[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001377856319 888015990 /nfs/dbraw/zinc/01/59/90/888015990.db2.gz GPXDZLWNBLYKRC-IUCAKERBSA-N 0 3 298.384 -1.165 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CCn1cnnn1 ZINC001377864297 888016146 /nfs/dbraw/zinc/01/61/46/888016146.db2.gz USSQAKQOLXDMQE-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H](NC(=O)c1cccc(=O)n1C)[C@H](C)NCC(N)=O ZINC001377856397 888016612 /nfs/dbraw/zinc/01/66/12/888016612.db2.gz QRZRYTDPQKNEHO-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001377911267 888018917 /nfs/dbraw/zinc/01/89/17/888018917.db2.gz VTVUPJBQJDJXPI-UWVGGRQHSA-N 0 3 296.375 -1.024 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)CCNC(N)=O ZINC001377899220 888019060 /nfs/dbraw/zinc/01/90/60/888019060.db2.gz LEBQOJYSBKXGDO-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](NC(=O)Cc1nnc[n-]1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001377879813 888019209 /nfs/dbraw/zinc/01/92/09/888019209.db2.gz HEYTVHLKLNFJGQ-DTWKUNHWSA-N 0 3 282.348 -1.082 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001377953822 888020623 /nfs/dbraw/zinc/02/06/23/888020623.db2.gz WCWPOZJXOAKSIU-VIFPVBQESA-N 0 3 299.375 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)CN2CCCC2=O)C1 ZINC001377958405 888020651 /nfs/dbraw/zinc/02/06/51/888020651.db2.gz YPZJXXIFHPVDFO-LBPRGKRZSA-N 0 3 299.371 -1.336 20 0 CAADHN CC[C@H](C(=O)NC[C@H](C)NC(=O)c1nnn(C)n1)N(C)C ZINC001377912081 888021060 /nfs/dbraw/zinc/02/10/60/888021060.db2.gz YQFALPQNEDQBCL-DTWKUNHWSA-N 0 3 297.363 -1.215 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001377957686 888021085 /nfs/dbraw/zinc/02/10/85/888021085.db2.gz ZEZGAIHGZSBMAW-SNVBAGLBSA-N 0 3 296.327 -1.149 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001377911827 888021935 /nfs/dbraw/zinc/02/19/35/888021935.db2.gz OLTBWOKBYWHTRM-RQJHMYQMSA-N 0 3 297.315 -1.932 20 0 CAADHN CCCN(C)CC(=O)NC1CN(CC(=O)NC(=O)NC)C1 ZINC001377937755 888022993 /nfs/dbraw/zinc/02/29/93/888022993.db2.gz DOBWSMPUHHXKLE-UHFFFAOYSA-N 0 3 299.375 -1.416 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001377989294 888023994 /nfs/dbraw/zinc/02/39/94/888023994.db2.gz VCFGCUMAVIUAKV-NWDGAFQWSA-N 0 3 299.371 -1.338 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCC1CN(CCCO)C1 ZINC001378002091 888024236 /nfs/dbraw/zinc/02/42/36/888024236.db2.gz UQZMCLXOACKYIO-SECBINFHSA-N 0 3 293.389 -1.646 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)CCn2ccnn2)C1 ZINC001377972162 888025116 /nfs/dbraw/zinc/02/51/16/888025116.db2.gz SLGPIGDMKZNGDQ-LBPRGKRZSA-N 0 3 297.359 -1.277 20 0 CAADHN Cn1cnn(CC(=O)NCC2CN(CCCF)C2)c1=O ZINC001377985420 888026798 /nfs/dbraw/zinc/02/67/98/888026798.db2.gz QPZJRYOWRJWOAG-UHFFFAOYSA-N 0 3 285.323 -1.011 20 0 CAADHN Cc1nn(CC(=O)NCC2CN(CCCO)C2)c(=O)n1C ZINC001378015819 888028570 /nfs/dbraw/zinc/02/85/70/888028570.db2.gz USNDSZGERRRASQ-UHFFFAOYSA-N 0 3 297.359 -1.679 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001378049732 888028723 /nfs/dbraw/zinc/02/87/23/888028723.db2.gz CMFXQKUTEDNHGQ-GRYCIOLGSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)c1cnnn1C ZINC001378040428 888029733 /nfs/dbraw/zinc/02/97/33/888029733.db2.gz XITNWKVXCCKMMI-ZJUUUORDSA-N 0 3 285.348 -1.128 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001378049735 888031545 /nfs/dbraw/zinc/03/15/45/888031545.db2.gz CMFXQKUTEDNHGQ-SDDRHHMPSA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](C)CNC(=O)CNC(N)=O)N(C)C ZINC001378043785 888031772 /nfs/dbraw/zinc/03/17/72/888031772.db2.gz QHNCCJZOEDEIKV-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@@H](C)N(C)CCO ZINC001378053373 888032885 /nfs/dbraw/zinc/03/28/85/888032885.db2.gz LAGYQLLHOOGIPV-SECBINFHSA-N 0 3 281.378 -1.646 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001378102193 888034921 /nfs/dbraw/zinc/03/49/21/888034921.db2.gz UTACELTZZJIXTL-NXEZZACHSA-N 0 3 284.320 -2.129 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@H](C)N(C)CCO ZINC001378053379 888034660 /nfs/dbraw/zinc/03/46/60/888034660.db2.gz LAGYQLLHOOGIPV-VIFPVBQESA-N 0 3 281.378 -1.646 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001378098979 888034692 /nfs/dbraw/zinc/03/46/92/888034692.db2.gz DJQCLKACWIEAFD-MVWJERBFSA-N 0 3 287.360 -1.291 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001378088982 888034863 /nfs/dbraw/zinc/03/48/63/888034863.db2.gz CBYUXGVXQHPKFL-IJLUTSLNSA-N 0 3 288.344 -1.400 20 0 CAADHN COCC(=O)NCCC(=O)N[C@H]1CCN(CCCO)C1 ZINC001378059119 888034885 /nfs/dbraw/zinc/03/48/85/888034885.db2.gz SHVBNFNGIJCPGS-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCN(C[C@@H](O)COC)C1 ZINC001378107290 888035689 /nfs/dbraw/zinc/03/56/89/888035689.db2.gz CQPGNNLUNVGFFM-NXEZZACHSA-N 0 3 288.348 -1.887 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001378088977 888036289 /nfs/dbraw/zinc/03/62/89/888036289.db2.gz CBYUXGVXQHPKFL-GRYCIOLGSA-N 0 3 288.344 -1.400 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001378111481 888036753 /nfs/dbraw/zinc/03/67/53/888036753.db2.gz LMUCCNHLXRRHIG-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001378128631 888038042 /nfs/dbraw/zinc/03/80/42/888038042.db2.gz BRGQWEUUTQMAJH-MXWKQRLJSA-N 0 3 285.344 -1.537 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H](COC)OC)C1 ZINC001378115785 888038271 /nfs/dbraw/zinc/03/82/71/888038271.db2.gz MDIOACKYEFXNJF-WOPDTQHZSA-N 0 3 290.360 -1.154 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001378141452 888039072 /nfs/dbraw/zinc/03/90/72/888039072.db2.gz BZOSVWINQLGKKM-VHSXEESVSA-N 0 3 283.332 -1.042 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001378150112 888039229 /nfs/dbraw/zinc/03/92/29/888039229.db2.gz KBAOEWHYVAMFRO-WDEREUQCSA-N 0 3 297.359 -1.031 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001378150070 888039740 /nfs/dbraw/zinc/03/97/40/888039740.db2.gz KBAOEWHYVAMFRO-GHMZBOCLSA-N 0 3 297.359 -1.031 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H]1CCN(CCCO)C1 ZINC001378140389 888039851 /nfs/dbraw/zinc/03/98/51/888039851.db2.gz BNYXEOHGUMSUFZ-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H](COC)OC)C1 ZINC001378115783 888040152 /nfs/dbraw/zinc/04/01/52/888040152.db2.gz MDIOACKYEFXNJF-IJLUTSLNSA-N 0 3 290.360 -1.154 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001378141448 888040842 /nfs/dbraw/zinc/04/08/42/888040842.db2.gz BZOSVWINQLGKKM-UWVGGRQHSA-N 0 3 283.332 -1.042 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001378141457 888041532 /nfs/dbraw/zinc/04/15/32/888041532.db2.gz BZOSVWINQLGKKM-ZJUUUORDSA-N 0 3 283.332 -1.042 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)Cn1cnnn1 ZINC001378224460 888042925 /nfs/dbraw/zinc/04/29/25/888042925.db2.gz ZIOXWYXSAOKJND-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN CCN(C(=O)Cn1cnnn1)[C@H]1CCN(C[C@@H](C)O)C1 ZINC001378175581 888043601 /nfs/dbraw/zinc/04/36/01/888043601.db2.gz FMBZWFBPHUJVBI-MNOVXSKESA-N 0 3 282.348 -1.023 20 0 CAADHN CC[C@@H](CNC(=O)c1ncn(C)n1)N[C@@H]1CCNC1=O ZINC001378242573 888043709 /nfs/dbraw/zinc/04/37/09/888043709.db2.gz CAJIPQLEXKRVAB-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001378187860 888043909 /nfs/dbraw/zinc/04/39/09/888043909.db2.gz CLZBTCVRVCPQHN-MNOVXSKESA-N 0 3 297.359 -1.113 20 0 CAADHN CC[C@@H](CNC(=O)c1cn[nH]c1)NCC(=O)NC(=O)NC ZINC001378231958 888043948 /nfs/dbraw/zinc/04/39/48/888043948.db2.gz IYBPFAYYSMOHPK-VIFPVBQESA-N 0 3 296.331 -1.037 20 0 CAADHN CCN(C(=O)Cn1cnnn1)[C@@H]1CCN(C[C@H](C)O)C1 ZINC001378175592 888044143 /nfs/dbraw/zinc/04/41/43/888044143.db2.gz FMBZWFBPHUJVBI-WDEREUQCSA-N 0 3 282.348 -1.023 20 0 CAADHN CC[C@@H](CNC(=O)c1ncn(C)n1)N[C@H]1CCNC1=O ZINC001378242596 888044576 /nfs/dbraw/zinc/04/45/76/888044576.db2.gz CAJIPQLEXKRVAB-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001378187864 888045159 /nfs/dbraw/zinc/04/51/59/888045159.db2.gz CLZBTCVRVCPQHN-WDEREUQCSA-N 0 3 297.359 -1.113 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)N(C)CCn1cncn1 ZINC001378209004 888045410 /nfs/dbraw/zinc/04/54/10/888045410.db2.gz BDXGJQZEEFXSLT-JTQLQIEISA-N 0 3 297.363 -1.227 20 0 CAADHN CC[C@@H](CNC(=O)C1CN(C(C)=O)C1)NCC(=O)NC ZINC001378238221 888045736 /nfs/dbraw/zinc/04/57/36/888045736.db2.gz UQYGVIFJFWIIIE-NSHDSACASA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H](CNC(=O)CNC(C)=O)NCC(=O)N(C)C ZINC001378215256 888045837 /nfs/dbraw/zinc/04/58/37/888045837.db2.gz NYSAGFQSQKKMQE-SNVBAGLBSA-N 0 3 272.349 -1.305 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N(C)CC ZINC001378279250 888047204 /nfs/dbraw/zinc/04/72/04/888047204.db2.gz AHEYIAUAQNZDIC-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@@H](CNC(=O)c1cccn2nnnc12)NCC(N)=O ZINC001378254661 888047457 /nfs/dbraw/zinc/04/74/57/888047457.db2.gz TYEWJARPTNZNPJ-QMMMGPOBSA-N 0 3 291.315 -1.292 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(=O)NC ZINC001378291509 888047774 /nfs/dbraw/zinc/04/77/74/888047774.db2.gz BPJCUXSRRDCSOK-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@H](CNC(=O)CN1CCCNC1=O)NCC(N)=O ZINC001378276395 888048428 /nfs/dbraw/zinc/04/84/28/888048428.db2.gz UZZKMHOTAOUUFF-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN CC[C@@H](CNC(=O)Cc1cnoc1)NCC(=O)NC(N)=O ZINC001378279033 888048067 /nfs/dbraw/zinc/04/80/67/888048067.db2.gz AWGJQXVUGWDHKN-VIFPVBQESA-N 0 3 297.315 -1.104 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)N[C@H]1CCNC1=O ZINC001378251159 888048139 /nfs/dbraw/zinc/04/81/39/888048139.db2.gz SCMFIMPGKYWDHB-BDAKNGLRSA-N 0 3 281.320 -1.954 20 0 CAADHN CC[C@@H](CNC(=O)Cn1nnnc1C(C)C)NCC(N)=O ZINC001378288707 888048440 /nfs/dbraw/zinc/04/84/40/888048440.db2.gz BJAVIYYFTUZTTK-VIFPVBQESA-N 0 3 297.363 -1.234 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)N[C@H]1CCNC1=O ZINC001378251318 888049059 /nfs/dbraw/zinc/04/90/59/888049059.db2.gz SCMFIMPGKYWDHB-IUCAKERBSA-N 0 3 281.320 -1.954 20 0 CAADHN CC[C@@H](CNC(=O)C[C@H](C)NC(N)=O)NCC(=O)NC ZINC001378254688 888049313 /nfs/dbraw/zinc/04/93/13/888049313.db2.gz YKIAGMVHBAVMRW-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@@H](CNC(=O)c1cnn(C)n1)N[C@H]1CCNC1=O ZINC001378294334 888049773 /nfs/dbraw/zinc/04/97/73/888049773.db2.gz NDYGMDMCYGCHEP-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](CNC(=O)CCn1cnnn1)NCC(=O)NC ZINC001378310540 888050758 /nfs/dbraw/zinc/05/07/58/888050758.db2.gz LMQVTKDMSCWIAU-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN CC[C@H](CNC(=O)c1ccc(=O)n(C)n1)NCC(=O)NC ZINC001378331828 888050829 /nfs/dbraw/zinc/05/08/29/888050829.db2.gz ZRKDIOAIYIDKAJ-SECBINFHSA-N 0 3 295.343 -1.376 20 0 CAADHN CC(=O)NCC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001378345930 888051868 /nfs/dbraw/zinc/05/18/68/888051868.db2.gz OPIWKJKVSHYUPD-UHFFFAOYSA-N 0 3 270.333 -1.374 20 0 CAADHN CC[C@H](CNC(=O)CCn1cnnn1)NCC(=O)NC ZINC001378310537 888052608 /nfs/dbraw/zinc/05/26/08/888052608.db2.gz LMQVTKDMSCWIAU-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001378487625 888056428 /nfs/dbraw/zinc/05/64/28/888056428.db2.gz KUCWVYLYFPBFEW-PSASIEDQSA-N 0 3 270.333 -1.423 20 0 CAADHN CCN1CC([C@H](C)NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001378517794 888053859 /nfs/dbraw/zinc/05/38/59/888053859.db2.gz HMYUZMKELFODHA-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)Cn1ncnn1)C1CC1 ZINC001378398981 888054149 /nfs/dbraw/zinc/05/41/49/888054149.db2.gz LKJWYFVRTSNNQC-LBPRGKRZSA-N 0 3 295.347 -1.706 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)C1CN(C(C)=O)C1 ZINC001378495352 888055044 /nfs/dbraw/zinc/05/50/44/888055044.db2.gz FKUUXNWZIJFLDI-GFCCVEGCSA-N 0 3 296.371 -1.209 20 0 CAADHN CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)CNC(N)=O ZINC001378464781 888055118 /nfs/dbraw/zinc/05/51/18/888055118.db2.gz HAGJMLSFHPGTQU-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN COC[C@@H](O)CN1CC([C@@H](C)NC(=O)c2cn(C)nn2)C1 ZINC001378490958 888055145 /nfs/dbraw/zinc/05/51/45/888055145.db2.gz ADMSGIZLLLSIBC-KOLCDFICSA-N 0 3 297.359 -1.128 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)CCn1cnnn1)C1CC1 ZINC001378409043 888055825 /nfs/dbraw/zinc/05/58/25/888055825.db2.gz DTXQYVQWGIBVQZ-GFCCVEGCSA-N 0 3 295.347 -1.577 20 0 CAADHN C[C@H](O)CN1CC([C@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001378520919 888056018 /nfs/dbraw/zinc/05/60/18/888056018.db2.gz QVWFXLSFAFAKEW-UWVGGRQHSA-N 0 3 297.359 -1.601 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001378501181 888056058 /nfs/dbraw/zinc/05/60/58/888056058.db2.gz YIBGLKQKHAJNHV-JGVFFNPUSA-N 0 3 271.321 -1.891 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)Cn1cnnn1)C(N)=O ZINC001378486615 888056339 /nfs/dbraw/zinc/05/63/39/888056339.db2.gz GBAJTWBXNWZNDJ-RKDXNWHRSA-N 0 3 281.320 -1.873 20 0 CAADHN CCCC[C@H](CNCC(N)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001378437319 888056360 /nfs/dbraw/zinc/05/63/60/888056360.db2.gz BLXSQKOUACAYDT-BDAKNGLRSA-N 0 3 285.348 -1.582 20 0 CAADHN COC[C@H](O)CN1CC([C@@H](C)NC(=O)c2cnnn2C)C1 ZINC001378502568 888056531 /nfs/dbraw/zinc/05/65/31/888056531.db2.gz XSKOYVHVZAZTAX-MWLCHTKSSA-N 0 3 297.359 -1.128 20 0 CAADHN CS(=O)(=O)CC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001378492581 888056649 /nfs/dbraw/zinc/05/66/49/888056649.db2.gz CQSMOIFWLJPFCL-MRVPVSSYSA-N 0 3 277.346 -1.903 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001378389031 888056854 /nfs/dbraw/zinc/05/68/54/888056854.db2.gz SGOVIVWSUVPIMM-YMTOWFKASA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CCC(=O)NC1 ZINC001378501329 888057371 /nfs/dbraw/zinc/05/73/71/888057371.db2.gz OJFMDOXLPKQYDY-GHMZBOCLSA-N 0 3 296.371 -1.031 20 0 CAADHN CCCC[C@@H](CNCC(N)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001378437323 888057405 /nfs/dbraw/zinc/05/74/05/888057405.db2.gz BLXSQKOUACAYDT-DTWKUNHWSA-N 0 3 285.348 -1.582 20 0 CAADHN COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)Cc2nnc[n-]2)C1 ZINC001378578798 888058144 /nfs/dbraw/zinc/05/81/44/888058144.db2.gz SECWTPDCBDNDBK-ONGXEEELSA-N 0 3 297.359 -1.209 20 0 CAADHN COC[C@H](O)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001378592782 888064272 /nfs/dbraw/zinc/06/42/72/888064272.db2.gz YNLLGPUITOJMSR-JLLWLGSASA-N 0 3 299.371 -1.291 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CNC(C)=O ZINC001378728735 888065557 /nfs/dbraw/zinc/06/55/57/888065557.db2.gz QBXGWEPBLCINPA-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CNC(C)=O ZINC001378728733 888065990 /nfs/dbraw/zinc/06/59/90/888065990.db2.gz QBXGWEPBLCINPA-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)Cn1cnnn1 ZINC001378736635 888066578 /nfs/dbraw/zinc/06/65/78/888066578.db2.gz TXMFXEIJTRMMHM-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)COC ZINC001378737936 888067262 /nfs/dbraw/zinc/06/72/62/888067262.db2.gz SUANRWXWVKTWET-DTWKUNHWSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(N)=O ZINC001378775822 888068739 /nfs/dbraw/zinc/06/87/39/888068739.db2.gz WNHVYTDKDQTKLQ-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001378777728 888068767 /nfs/dbraw/zinc/06/87/67/888068767.db2.gz KBJIWABRVDQESB-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1nnn(C)n1 ZINC001378801968 888069084 /nfs/dbraw/zinc/06/90/84/888069084.db2.gz IZGNSCRWKAENAS-JGVFFNPUSA-N 0 3 281.320 -1.851 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001378814530 888074785 /nfs/dbraw/zinc/07/47/85/888074785.db2.gz VNLWDJJBAYHFHD-SSDOTTSWSA-N 0 3 282.300 -1.086 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001378768682 888069541 /nfs/dbraw/zinc/06/95/41/888069541.db2.gz LPVJPTDYTPUJTJ-BDAKNGLRSA-N 0 3 286.332 -1.381 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001378777731 888069619 /nfs/dbraw/zinc/06/96/19/888069619.db2.gz KBJIWABRVDQESB-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CO[C@H]1CCOC1 ZINC001378788495 888069737 /nfs/dbraw/zinc/06/97/37/888069737.db2.gz YOAYDRVCQKZRBD-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)N(C)C(=O)c1nnn(C)n1 ZINC001378807987 888069857 /nfs/dbraw/zinc/06/98/57/888069857.db2.gz VASDVDOXJVEEJZ-IUCAKERBSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001378772040 888070312 /nfs/dbraw/zinc/07/03/12/888070312.db2.gz YKAQFKLELQGKLD-KOLCDFICSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001378772050 888070348 /nfs/dbraw/zinc/07/03/48/888070348.db2.gz YKAQFKLELQGKLD-ONGXEEELSA-N 0 3 293.327 -1.219 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001378772324 888070643 /nfs/dbraw/zinc/07/06/43/888070643.db2.gz FZCNNPPOGYPSEI-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](NCCF)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001378778440 888071211 /nfs/dbraw/zinc/07/12/11/888071211.db2.gz ZJQSEOWXTFYKIG-NXEZZACHSA-N 0 3 286.311 -1.152 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)CC(C)(C)O)CCO1 ZINC001378768672 888071242 /nfs/dbraw/zinc/07/12/42/888071242.db2.gz PZKKKCOFKXNHAC-UWVGGRQHSA-N 0 3 287.360 -1.162 20 0 CAADHN CC[C@@H](NC[C@H](C)N(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001378801461 888071464 /nfs/dbraw/zinc/07/14/64/888071464.db2.gz HLHPBYIVMJYJCH-JGVFFNPUSA-N 0 3 283.336 -1.476 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001378755543 888071828 /nfs/dbraw/zinc/07/18/28/888071828.db2.gz GNXMVNKVPXRCCP-HTQZYQBOSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001378755543 888071829 /nfs/dbraw/zinc/07/18/29/888071829.db2.gz GNXMVNKVPXRCCP-HTQZYQBOSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CN1CCCNC1=O ZINC001378802082 888071897 /nfs/dbraw/zinc/07/18/97/888071897.db2.gz UBBQIKFFAKCZFM-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CN1CCCNC1=O ZINC001378802088 888071967 /nfs/dbraw/zinc/07/19/67/888071967.db2.gz UBBQIKFFAKCZFM-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)CC(C)(C)O ZINC001378763572 888071990 /nfs/dbraw/zinc/07/19/90/888071990.db2.gz IFYLVSBLFZWHIT-QMMMGPOBSA-N 0 3 288.348 -1.221 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCS(C)(=O)=O ZINC001378790298 888072166 /nfs/dbraw/zinc/07/21/66/888072166.db2.gz PPXPHBUWUASXBY-QMMMGPOBSA-N 0 3 279.362 -1.657 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001378808547 888072326 /nfs/dbraw/zinc/07/23/26/888072326.db2.gz WCOSULXMRACCSB-SECBINFHSA-N 0 3 297.363 -1.214 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@@H](C)CN[C@H](C)C(N)=O ZINC001378775819 888072360 /nfs/dbraw/zinc/07/23/60/888072360.db2.gz WNHVYTDKDQTKLQ-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](NC[C@H](C)N(C)C(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001378848266 888073703 /nfs/dbraw/zinc/07/37/03/888073703.db2.gz XAUWZFBUJYZRJM-IUCAKERBSA-N 0 3 295.343 -1.296 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001378863209 888073770 /nfs/dbraw/zinc/07/37/70/888073770.db2.gz FSADGXKGIVSDOA-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001378858331 888074283 /nfs/dbraw/zinc/07/42/83/888074283.db2.gz UVNHXFDRQSSJGM-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H](C)NC(N)=O)C(C)C ZINC001378965567 888075176 /nfs/dbraw/zinc/07/51/76/888075176.db2.gz QSSKFTYIARGXGR-IUCAKERBSA-N 0 3 287.364 -1.480 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001378886378 888075687 /nfs/dbraw/zinc/07/56/87/888075687.db2.gz WXOJTVLCYLISKE-DTWKUNHWSA-N 0 3 285.348 -1.726 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C1CN(C(C)=O)C1)C(C)C ZINC001378969282 888075770 /nfs/dbraw/zinc/07/57/70/888075770.db2.gz VYKRDPQRSLMPGU-GFCCVEGCSA-N 0 3 298.387 -1.059 20 0 CAADHN CN(C(=O)CCn1ccnn1)[C@@H](CNCC(N)=O)C1CC1 ZINC001379018050 888076683 /nfs/dbraw/zinc/07/66/83/888076683.db2.gz XQAZPSMZMBJQIM-NSHDSACASA-N 0 3 294.359 -1.020 20 0 CAADHN CN(C(=O)[C@@H]1CCNC(=O)C1)[C@H](CNCC(N)=O)C1CC1 ZINC001379000136 888076879 /nfs/dbraw/zinc/07/68/79/888076879.db2.gz RZBGGTMCBOWQBK-GHMZBOCLSA-N 0 3 296.371 -1.176 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001378989650 888077039 /nfs/dbraw/zinc/07/70/39/888077039.db2.gz KMEKVMJQEAWUQK-NXEZZACHSA-N 0 3 299.375 -1.466 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)c1ncn(C)n1 ZINC001379034959 888077151 /nfs/dbraw/zinc/07/71/51/888077151.db2.gz CTVKNMAJEFMSRM-SNVBAGLBSA-N 0 3 285.348 -1.174 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1cncn1)N[C@@H]1CCNC1=O ZINC001379062796 888077303 /nfs/dbraw/zinc/07/73/03/888077303.db2.gz JEBMZNMVKCOEEV-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CN(C(=O)[C@H]1CNC(=O)N1)[C@@H](CNCC(N)=O)C1CC1 ZINC001379027807 888077571 /nfs/dbraw/zinc/07/75/71/888077571.db2.gz UCQWNVBWDCTPTH-BDAKNGLRSA-N 0 3 283.332 -2.020 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)COC ZINC001379053546 888077836 /nfs/dbraw/zinc/07/78/36/888077836.db2.gz FGMIXTUAXNLRFM-QMMMGPOBSA-N 0 3 274.321 -1.475 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)CNC(=O)NC ZINC001379027203 888078861 /nfs/dbraw/zinc/07/88/61/888078861.db2.gz SCCMZWVBQKGFNC-SNVBAGLBSA-N 0 3 299.375 -1.512 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001378981287 888079093 /nfs/dbraw/zinc/07/90/93/888079093.db2.gz MNHQTLAVLVULNZ-SNVBAGLBSA-N 0 3 270.333 -1.566 20 0 CAADHN CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H](CNCC(N)=O)C1CC1 ZINC001379020475 888079651 /nfs/dbraw/zinc/07/96/51/888079651.db2.gz KQUPBQFPBZRNRQ-GHMZBOCLSA-N 0 3 296.371 -1.223 20 0 CAADHN CN(C(=O)CNC(=O)C1CC1)[C@H](CNCC(N)=O)C1CC1 ZINC001378984937 888079809 /nfs/dbraw/zinc/07/98/09/888079809.db2.gz ASWBQDVKRWZIBE-LLVKDONJSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1cncn1)N[C@H]1CCNC1=O ZINC001379062783 888080022 /nfs/dbraw/zinc/08/00/22/888080022.db2.gz JEBMZNMVKCOEEV-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H](NC[C@H](C1CC1)N(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001379032648 888080356 /nfs/dbraw/zinc/08/03/56/888080356.db2.gz QRFUGFNTDMRIBY-VXNVDRBHSA-N 0 3 295.347 -1.476 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)Cn1cnnn1 ZINC001378981263 888080389 /nfs/dbraw/zinc/08/03/89/888080389.db2.gz MHYNUTMIHPTULF-SNVBAGLBSA-N 0 3 295.347 -1.754 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1ncn(C)n1 ZINC001379122080 888084056 /nfs/dbraw/zinc/08/40/56/888084056.db2.gz ZJEZSTYZNREXRA-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H](C)OC ZINC001379080535 888082529 /nfs/dbraw/zinc/08/25/29/888082529.db2.gz LGCXSQWHSJHVSF-RKDXNWHRSA-N 0 3 288.348 -1.087 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001379085635 888082630 /nfs/dbraw/zinc/08/26/30/888082630.db2.gz WQRWLXSUUBZJFK-SNVBAGLBSA-N 0 3 297.359 -1.071 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O)[nH]1 ZINC001379125093 888082803 /nfs/dbraw/zinc/08/28/03/888082803.db2.gz YPYWRCQFUOGGPQ-SFYZADRCSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001379104848 888082919 /nfs/dbraw/zinc/08/29/19/888082919.db2.gz NARRHLNQEXGLBT-NXEZZACHSA-N 0 3 284.360 -1.210 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001379063774 888084790 /nfs/dbraw/zinc/08/47/90/888084790.db2.gz KWAZNYZLROPCIU-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@H](C)OC ZINC001379080528 888083403 /nfs/dbraw/zinc/08/34/03/888083403.db2.gz LGCXSQWHSJHVSF-IUCAKERBSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)CN1CC[C@H]2CN(C(=O)CNC(C)=O)CC[C@H]21 ZINC001379145436 888083541 /nfs/dbraw/zinc/08/35/41/888083541.db2.gz DGIIHHDHRBYQTG-NWDGAFQWSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001379119186 888083565 /nfs/dbraw/zinc/08/35/65/888083565.db2.gz KHMQMKRNNQMMJH-QMMMGPOBSA-N 0 3 282.348 -1.162 20 0 CAADHN COCCN(C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001379099959 888083865 /nfs/dbraw/zinc/08/38/65/888083865.db2.gz GHFNIXDJZOGAPS-VIFPVBQESA-N 0 3 286.332 -1.379 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001379063772 888084163 /nfs/dbraw/zinc/08/41/63/888084163.db2.gz KWAZNYZLROPCIU-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001379083783 888084406 /nfs/dbraw/zinc/08/44/06/888084406.db2.gz LIWXDKHYKCLNFL-NSHDSACASA-N 0 3 286.376 -1.811 20 0 CAADHN CNC(=O)CN1CC[C@@H]2CN(C(=O)CNC(C)=O)CC[C@@H]21 ZINC001379145429 888084695 /nfs/dbraw/zinc/08/46/95/888084695.db2.gz DGIIHHDHRBYQTG-NEPJUHHUSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1COCCO1)NCC(=O)N(C)C ZINC001379065427 888084862 /nfs/dbraw/zinc/08/48/62/888084862.db2.gz OSXUFFFCBXABAF-WDEREUQCSA-N 0 3 287.360 -1.074 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN(C)CCOC ZINC001379132752 888084947 /nfs/dbraw/zinc/08/49/47/888084947.db2.gz TYFIZISSMQOSPV-UHFFFAOYSA-N 0 3 281.378 -1.428 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ncc[nH]1)NCC(=O)NC(N)=O ZINC001379116235 888085086 /nfs/dbraw/zinc/08/50/86/888085086.db2.gz OZHUBGROYMYSPH-ZETCQYMHSA-N 0 3 282.304 -1.345 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1COCCO1)NCC(=O)N(C)C ZINC001379065397 888086358 /nfs/dbraw/zinc/08/63/58/888086358.db2.gz OSXUFFFCBXABAF-MNOVXSKESA-N 0 3 287.360 -1.074 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1CCC1)C(=O)NC(N)=O ZINC001379154701 888087498 /nfs/dbraw/zinc/08/74/98/888087498.db2.gz NMGLXZRHFBTKSC-CBAPKCEASA-N 0 3 286.332 -1.563 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cn[nH]c1)N1CCC1 ZINC001379161009 888087091 /nfs/dbraw/zinc/08/70/91/888087091.db2.gz AACLDBNDHXTTSQ-SNVBAGLBSA-N 0 3 281.316 -1.678 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnc2n[nH]nc2c1)NCC(N)=O ZINC001379150441 888087319 /nfs/dbraw/zinc/08/73/19/888087319.db2.gz SXFJXEANDRZAKJ-SSDOTTSWSA-N 0 3 291.315 -1.112 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)Cn2cnnn2)C1=O ZINC001379160766 888087528 /nfs/dbraw/zinc/08/75/28/888087528.db2.gz ITKLEKKZESKMIM-IUCAKERBSA-N 0 3 297.319 -3.030 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccncc1 ZINC001379159658 888087639 /nfs/dbraw/zinc/08/76/39/888087639.db2.gz ZKOFAWYGBWSXPD-GXSJLCMTSA-N 0 3 280.328 -1.104 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cncs1)C(N)=O ZINC001379162452 888087716 /nfs/dbraw/zinc/08/77/16/888087716.db2.gz BXDUXSOGXZQOHQ-NKWVEPMBSA-N 0 3 272.330 -1.303 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)Cn2cnnn2)C1=O ZINC001379160762 888087743 /nfs/dbraw/zinc/08/77/43/888087743.db2.gz ITKLEKKZESKMIM-DTWKUNHWSA-N 0 3 297.319 -3.030 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001379161250 888088346 /nfs/dbraw/zinc/08/83/46/888088346.db2.gz ANRBWUYCBVXCMK-NXEZZACHSA-N 0 3 281.316 -1.679 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccncc1)N1CCC1 ZINC001379151279 888088386 /nfs/dbraw/zinc/08/83/86/888088386.db2.gz BFLZQJLAKZWFPR-LBPRGKRZSA-N 0 3 292.339 -1.006 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnc2n[nH]nc2c1)NCC(N)=O ZINC001379150442 888088466 /nfs/dbraw/zinc/08/84/66/888088466.db2.gz SXFJXEANDRZAKJ-ZETCQYMHSA-N 0 3 291.315 -1.112 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccncc1)N1CCC1 ZINC001379151277 888088492 /nfs/dbraw/zinc/08/84/92/888088492.db2.gz BFLZQJLAKZWFPR-GFCCVEGCSA-N 0 3 292.339 -1.006 20 0 CAADHN CNC(=O)CN1CC[C@@H]2CN(C(=O)CNC(C)=O)CC[C@H]21 ZINC001379145449 888088777 /nfs/dbraw/zinc/08/87/77/888088777.db2.gz DGIIHHDHRBYQTG-VXGBXAGGSA-N 0 3 296.371 -1.209 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cn[nH]c1)N1CCC1 ZINC001379160991 888089196 /nfs/dbraw/zinc/08/91/96/888089196.db2.gz AACLDBNDHXTTSQ-JTQLQIEISA-N 0 3 281.316 -1.678 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccccn1 ZINC001379156838 888089807 /nfs/dbraw/zinc/08/98/07/888089807.db2.gz UMWITNKPCFGSEM-KOLCDFICSA-N 0 3 278.312 -1.350 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1CCOCC1)C(N)=O ZINC001379151263 888090685 /nfs/dbraw/zinc/09/06/85/888090685.db2.gz BCLYYAORMDWWMW-PSASIEDQSA-N 0 3 273.333 -1.647 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccccn1 ZINC001379156842 888090715 /nfs/dbraw/zinc/09/07/15/888090715.db2.gz UMWITNKPCFGSEM-MWLCHTKSSA-N 0 3 278.312 -1.350 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1CCC1)C(=O)NC(N)=O ZINC001379154710 888090769 /nfs/dbraw/zinc/09/07/69/888090769.db2.gz NMGLXZRHFBTKSC-VXNVDRBHSA-N 0 3 286.332 -1.563 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001379169431 888091695 /nfs/dbraw/zinc/09/16/95/888091695.db2.gz XIOSJZJLBHJODQ-SNVBAGLBSA-N 0 3 294.319 -2.327 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001379173719 888091756 /nfs/dbraw/zinc/09/17/56/888091756.db2.gz AAMOCLVKEINPJQ-IUCAKERBSA-N 0 3 274.321 -3.131 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001379169422 888092802 /nfs/dbraw/zinc/09/28/02/888092802.db2.gz XIOSJZJLBHJODQ-JTQLQIEISA-N 0 3 294.319 -2.327 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001379173717 888092985 /nfs/dbraw/zinc/09/29/85/888092985.db2.gz AAMOCLVKEINPJQ-DTWKUNHWSA-N 0 3 274.321 -3.131 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cn1cccn1 ZINC001379164959 888093046 /nfs/dbraw/zinc/09/30/46/888093046.db2.gz JXOQSXZMPLRDGV-JTQLQIEISA-N 0 3 283.332 -1.914 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001379169765 888093135 /nfs/dbraw/zinc/09/31/35/888093135.db2.gz LFBVHYLFCASZJI-QMMMGPOBSA-N 0 3 295.361 -2.814 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C1=COCCC1 ZINC001379167008 888093290 /nfs/dbraw/zinc/09/32/90/888093290.db2.gz LZLMNWLSTSJUJY-LLVKDONJSA-N 0 3 285.344 -1.164 20 0 CAADHN CCC(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC(=O)NC ZINC001379171521 888093360 /nfs/dbraw/zinc/09/33/60/888093360.db2.gz VNFSWXHUMYYDFR-SFYZADRCSA-N 0 3 274.321 -1.693 20 0 CAADHN CS(=O)(=O)CC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001379164377 888093817 /nfs/dbraw/zinc/09/38/17/888093817.db2.gz DRMQLNPUNMIIQS-HTQZYQBOSA-N 0 3 293.345 -3.014 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccn[nH]1)NC1CC1 ZINC001379173008 888094187 /nfs/dbraw/zinc/09/41/87/888094187.db2.gz RTAJJUWZQFFUKH-VIFPVBQESA-N 0 3 281.316 -1.631 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001379170928 888094349 /nfs/dbraw/zinc/09/43/49/888094349.db2.gz SVJXSBGIWPNMSD-DTWKUNHWSA-N 0 3 286.332 -2.580 20 0 CAADHN CC(C)C(=O)NC[C@H](O)CNCC(=O)N1CCOCC1 ZINC001379167229 888094483 /nfs/dbraw/zinc/09/44/83/888094483.db2.gz KMHLYIHECAUMNP-LLVKDONJSA-N 0 3 287.360 -1.432 20 0 CAADHN Cc1cnc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)cn1 ZINC001379173117 888094551 /nfs/dbraw/zinc/09/45/51/888094551.db2.gz LXEZFRJXKFGAJX-VHSXEESVSA-N 0 3 293.327 -1.646 20 0 CAADHN CCC(=O)NC[C@H](O)CN[C@H](C)C(=O)NC(=O)NC ZINC001379171519 888095482 /nfs/dbraw/zinc/09/54/82/888095482.db2.gz VNFSWXHUMYYDFR-HTQZYQBOSA-N 0 3 274.321 -1.693 20 0 CAADHN Cn1cccc1C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001379164957 888095698 /nfs/dbraw/zinc/09/56/98/888095698.db2.gz JVYQBOPMJKVODO-QMMMGPOBSA-N 0 3 297.315 -2.100 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)[C@H]2COCCO2)cn1 ZINC001379175196 888095957 /nfs/dbraw/zinc/09/59/57/888095957.db2.gz UKDYXKMCLVVKDP-VXGBXAGGSA-N 0 3 298.343 -1.598 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)[nH]n1 ZINC001379181255 888096108 /nfs/dbraw/zinc/09/61/08/888096108.db2.gz ZSPQQFXFDYVQSL-RKDXNWHRSA-N 0 3 281.316 -1.713 20 0 CAADHN COCCC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001379175652 888096422 /nfs/dbraw/zinc/09/64/22/888096422.db2.gz ZHJLAKBJAMQECT-SNVBAGLBSA-N 0 3 273.333 -1.678 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001379191750 888096861 /nfs/dbraw/zinc/09/68/61/888096861.db2.gz UJCYYRFKSCMYGI-SNVBAGLBSA-N 0 3 283.332 -1.845 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001379185057 888096885 /nfs/dbraw/zinc/09/68/85/888096885.db2.gz JQQFOTZGZNRYRK-JGVFFNPUSA-N 0 3 274.321 -2.547 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C)[nH]1 ZINC001379189263 888096904 /nfs/dbraw/zinc/09/69/04/888096904.db2.gz NVXLPLNWCIYUOO-SCZZXKLOSA-N 0 3 297.359 -1.125 20 0 CAADHN CCOCC(=O)NC[C@H](O)CN[C@H]1CCN(CC)C1=O ZINC001379180641 888096957 /nfs/dbraw/zinc/09/69/57/888096957.db2.gz TZMUBNBJHUKWCJ-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccncc1F ZINC001379192094 888097039 /nfs/dbraw/zinc/09/70/39/888097039.db2.gz VMIUNXLEGGUANI-QMMMGPOBSA-N 0 3 284.291 -1.353 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001379192299 888097092 /nfs/dbraw/zinc/09/70/92/888097092.db2.gz VIWYIACIQPXOSA-SNVBAGLBSA-N 0 3 296.327 -1.444 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)[C@@H]2COCCO2)cn1 ZINC001379175190 888097966 /nfs/dbraw/zinc/09/79/66/888097966.db2.gz UKDYXKMCLVVKDP-RYUDHWBXSA-N 0 3 298.343 -1.598 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)[C@@H]2COCCO2)cn1 ZINC001379175176 888098280 /nfs/dbraw/zinc/09/82/80/888098280.db2.gz UKDYXKMCLVVKDP-NEPJUHHUSA-N 0 3 298.343 -1.598 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)c1N ZINC001379190793 888098597 /nfs/dbraw/zinc/09/85/97/888098597.db2.gz AHYQNHVVXDIINT-MRVPVSSYSA-N 0 3 298.347 -2.181 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)[C@H]2COCCO2)cn1 ZINC001379175183 888099062 /nfs/dbraw/zinc/09/90/62/888099062.db2.gz UKDYXKMCLVVKDP-NWDGAFQWSA-N 0 3 298.343 -1.598 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001379176821 888099388 /nfs/dbraw/zinc/09/93/88/888099388.db2.gz PZVHJCQFLCDRBB-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)[nH]n1 ZINC001379181254 888099602 /nfs/dbraw/zinc/09/96/02/888099602.db2.gz ZSPQQFXFDYVQSL-IUCAKERBSA-N 0 3 281.316 -1.713 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1nnc[n-]1 ZINC001379185972 888099960 /nfs/dbraw/zinc/09/99/60/888099960.db2.gz ULTFWLUOFOKWDE-NXEZZACHSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001379177399 888100154 /nfs/dbraw/zinc/10/01/54/888100154.db2.gz VGUUZPWMYGCKPX-CBAPKCEASA-N 0 3 286.332 -2.547 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cncnc1 ZINC001379199269 888101178 /nfs/dbraw/zinc/10/11/78/888101178.db2.gz SXUQVUWMXYEEOX-VHSXEESVSA-N 0 3 279.300 -1.955 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001379194062 888101275 /nfs/dbraw/zinc/10/12/75/888101275.db2.gz DBEYROZIUKVGSX-IUCAKERBSA-N 0 3 285.348 -1.808 20 0 CAADHN Cn1nncc1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001379195770 888101893 /nfs/dbraw/zinc/10/18/93/888101893.db2.gz DAOAHWNEVGNGTM-SECBINFHSA-N 0 3 296.331 -2.272 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ncc[nH]1)N1CCCC1 ZINC001379200078 888101998 /nfs/dbraw/zinc/10/19/98/888101998.db2.gz WENVDOBTBAESCZ-JTQLQIEISA-N 0 3 295.343 -1.288 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001379196782 888102084 /nfs/dbraw/zinc/10/20/84/888102084.db2.gz HNJJWBYRVJCFBG-NXEZZACHSA-N 0 3 297.315 -1.905 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)co1 ZINC001379200191 888102134 /nfs/dbraw/zinc/10/21/34/888102134.db2.gz JMQGBEDWYJUYLU-JTQLQIEISA-N 0 3 296.327 -1.058 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001379197662 888102418 /nfs/dbraw/zinc/10/24/18/888102418.db2.gz OAWKUPQYIHCBTG-MNOVXSKESA-N 0 3 299.371 -1.363 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cncnc1 ZINC001379199262 888102483 /nfs/dbraw/zinc/10/24/83/888102483.db2.gz SXUQVUWMXYEEOX-NXEZZACHSA-N 0 3 279.300 -1.955 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2cncnc2)C1=O ZINC001379200879 888102667 /nfs/dbraw/zinc/10/26/67/888102667.db2.gz XRDUPFPODBRQAN-WDEREUQCSA-N 0 3 293.327 -1.612 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001379202394 888102705 /nfs/dbraw/zinc/10/27/05/888102705.db2.gz RNVZMXHTWPKOBS-SECBINFHSA-N 0 3 272.305 -2.983 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)co1 ZINC001379200195 888102896 /nfs/dbraw/zinc/10/28/96/888102896.db2.gz JMQGBEDWYJUYLU-SNVBAGLBSA-N 0 3 296.327 -1.058 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001379197660 888102929 /nfs/dbraw/zinc/10/29/29/888102929.db2.gz OAWKUPQYIHCBTG-GHMZBOCLSA-N 0 3 299.371 -1.363 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ncc[nH]1)C(=O)N(C)C ZINC001379195084 888103221 /nfs/dbraw/zinc/10/32/21/888103221.db2.gz FBGPMXASMGWHCK-DTWKUNHWSA-N 0 3 283.332 -1.433 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)n1 ZINC001379198570 888103349 /nfs/dbraw/zinc/10/33/49/888103349.db2.gz NPCOZLDLTLGRIW-SECBINFHSA-N 0 3 296.331 -2.226 20 0 CAADHN CCn1nccc1C(=O)NC[C@H](O)CN[C@H](C)C(=O)NC ZINC001379201347 888103364 /nfs/dbraw/zinc/10/33/64/888103364.db2.gz NPNFFCICJOAKBX-NXEZZACHSA-N 0 3 297.359 -1.282 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001379205465 888104474 /nfs/dbraw/zinc/10/44/74/888104474.db2.gz LKKNWMISWCXEQO-HTQZYQBOSA-N 0 3 279.287 -1.026 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CNCC(N)=O)nn1C ZINC001379219053 888104638 /nfs/dbraw/zinc/10/46/38/888104638.db2.gz JOOAFAUBDPCQNB-SSDOTTSWSA-N 0 3 285.304 -2.406 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001379205467 888104651 /nfs/dbraw/zinc/10/46/51/888104651.db2.gz LKKNWMISWCXEQO-SFYZADRCSA-N 0 3 279.287 -1.026 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccsn1 ZINC001379212987 888104399 /nfs/dbraw/zinc/10/43/99/888104399.db2.gz DHYCNTWZFAAYKO-SFYZADRCSA-N 0 3 286.357 -1.042 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1coc(C)n1 ZINC001379203168 888104589 /nfs/dbraw/zinc/10/45/89/888104589.db2.gz UNPVEPSSAOPLHP-QMMMGPOBSA-N 0 3 270.289 -1.591 20 0 CAADHN Cn1nc(C2CC2)cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001379204963 888104687 /nfs/dbraw/zinc/10/46/87/888104687.db2.gz GHJOYJVSRQWGRH-SECBINFHSA-N 0 3 295.343 -1.537 20 0 CAADHN Cc1cncc(CCC(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001379213596 888104724 /nfs/dbraw/zinc/10/47/24/888104724.db2.gz DKZPZYPQKSUCRL-GFCCVEGCSA-N 0 3 294.355 -1.125 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](O)CNCc1cncs1 ZINC001379204868 888104739 /nfs/dbraw/zinc/10/47/39/888104739.db2.gz CRGVZUGVRBBSHZ-MRVPVSSYSA-N 0 3 297.344 -1.604 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)Cn2ncnn2)cn1 ZINC001379209887 888104758 /nfs/dbraw/zinc/10/47/58/888104758.db2.gz OAGQAUYFFLBBGZ-SNVBAGLBSA-N 0 3 294.319 -2.327 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnco1)N1CCC1 ZINC001379212254 888105023 /nfs/dbraw/zinc/10/50/23/888105023.db2.gz BMBQBUSUOMAFBU-SECBINFHSA-N 0 3 282.300 -1.413 20 0 CAADHN CCn1ccc(CC(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001379216941 888105040 /nfs/dbraw/zinc/10/50/40/888105040.db2.gz YTKNDEQFXQFLAU-SNVBAGLBSA-N 0 3 283.332 -2.003 20 0 CAADHN CC(C)Cn1nccc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001379206114 888105058 /nfs/dbraw/zinc/10/50/58/888105058.db2.gz IGEVCBYTVIUUJE-SNVBAGLBSA-N 0 3 297.359 -1.295 20 0 CAADHN COC1(CC(=O)NC[C@H](O)CNCC(N)=O)CCC1 ZINC001379202408 888105197 /nfs/dbraw/zinc/10/51/97/888105197.db2.gz RVEPCWDTELILNI-SECBINFHSA-N 0 3 273.333 -1.502 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CNCC(N)=O)c(C2CC2)n1 ZINC001379214086 888105458 /nfs/dbraw/zinc/10/54/58/888105458.db2.gz XFYXJLSNDUFZBV-VIFPVBQESA-N 0 3 295.343 -1.537 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001379217915 888105613 /nfs/dbraw/zinc/10/56/13/888105613.db2.gz IICRMMKYUHCIIO-RKDXNWHRSA-N 0 3 286.332 -2.403 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](O)CNCc1cncn1C ZINC001379214072 888105798 /nfs/dbraw/zinc/10/57/98/888105798.db2.gz XDXLCXGDKFEVAQ-JTQLQIEISA-N 0 3 298.347 -2.084 20 0 CAADHN CC(C)Cn1nccc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001379206099 888105834 /nfs/dbraw/zinc/10/58/34/888105834.db2.gz IGEVCBYTVIUUJE-JTQLQIEISA-N 0 3 297.359 -1.295 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)nn1C ZINC001379219056 888105919 /nfs/dbraw/zinc/10/59/19/888105919.db2.gz JOOAFAUBDPCQNB-ZETCQYMHSA-N 0 3 285.304 -2.406 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)NC ZINC001379203230 888106050 /nfs/dbraw/zinc/10/60/50/888106050.db2.gz BMCXBHGTCLQSFF-DTWKUNHWSA-N 0 3 288.348 -2.286 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001379217912 888106073 /nfs/dbraw/zinc/10/60/73/888106073.db2.gz IICRMMKYUHCIIO-DTWKUNHWSA-N 0 3 286.332 -2.403 20 0 CAADHN Cc1cncc(CCC(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001379213696 888106088 /nfs/dbraw/zinc/10/60/88/888106088.db2.gz DKZPZYPQKSUCRL-LBPRGKRZSA-N 0 3 294.355 -1.125 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001379203223 888106148 /nfs/dbraw/zinc/10/61/48/888106148.db2.gz BMCXBHGTCLQSFF-BDAKNGLRSA-N 0 3 288.348 -2.286 20 0 CAADHN COC1(CC(=O)NC[C@@H](O)CNCC(N)=O)CCC1 ZINC001379202409 888106168 /nfs/dbraw/zinc/10/61/68/888106168.db2.gz RVEPCWDTELILNI-VIFPVBQESA-N 0 3 273.333 -1.502 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](O)CNCc1cncs1 ZINC001379204872 888106190 /nfs/dbraw/zinc/10/61/90/888106190.db2.gz CRGVZUGVRBBSHZ-QMMMGPOBSA-N 0 3 297.344 -1.604 20 0 CAADHN COc1ccnc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c1 ZINC001379223480 888107043 /nfs/dbraw/zinc/10/70/43/888107043.db2.gz QTVWOZUCPDOSFM-RKDXNWHRSA-N 0 3 296.327 -1.356 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)CC1 ZINC001379224781 888107202 /nfs/dbraw/zinc/10/72/02/888107202.db2.gz OHVYYNAEBLUVRL-WDEREUQCSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N1CCC1 ZINC001379226053 888107317 /nfs/dbraw/zinc/10/73/17/888107317.db2.gz TYYOIKDABUOVEV-AXFHLTTASA-N 0 3 296.371 -1.223 20 0 CAADHN COCc1ccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)o1 ZINC001379223091 888107395 /nfs/dbraw/zinc/10/73/95/888107395.db2.gz MMFUFLBUGLZBPR-RKDXNWHRSA-N 0 3 299.327 -1.020 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001379232127 888107458 /nfs/dbraw/zinc/10/74/58/888107458.db2.gz NVXCFCQYZSLZTK-JGVFFNPUSA-N 0 3 295.299 -2.661 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001379229437 888107471 /nfs/dbraw/zinc/10/74/71/888107471.db2.gz XTKVRVJGTRRLBC-WPRPVWTQSA-N 0 3 296.327 -1.356 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)CC1 ZINC001379224779 888108025 /nfs/dbraw/zinc/10/80/25/888108025.db2.gz OHVYYNAEBLUVRL-QWRGUYRKSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001379229747 888108055 /nfs/dbraw/zinc/10/80/55/888108055.db2.gz RXXMRQNIHGDEFG-HTQZYQBOSA-N 0 3 271.321 -2.150 20 0 CAADHN COc1ccnc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c1 ZINC001379223477 888108065 /nfs/dbraw/zinc/10/80/65/888108065.db2.gz QTVWOZUCPDOSFM-BDAKNGLRSA-N 0 3 296.327 -1.356 20 0 CAADHN Cc1cc(C)n(CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001379232576 888108329 /nfs/dbraw/zinc/10/83/29/888108329.db2.gz WTXMFGNGYGMAQP-MNOVXSKESA-N 0 3 297.359 -1.560 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@@H](O)C[NH2+]Cc1cncn1C ZINC001379225905 888108404 /nfs/dbraw/zinc/10/84/04/888108404.db2.gz UYQPVALHOPAVKC-JTQLQIEISA-N 0 3 293.331 -1.273 20 0 CAADHN COc1ccnc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001379223478 888108792 /nfs/dbraw/zinc/10/87/92/888108792.db2.gz QTVWOZUCPDOSFM-DTWKUNHWSA-N 0 3 296.327 -1.356 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001379230225 888108809 /nfs/dbraw/zinc/10/88/09/888108809.db2.gz SXLJFTKQJVLNQZ-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN COc1ccnc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001379223479 888108998 /nfs/dbraw/zinc/10/89/98/888108998.db2.gz QTVWOZUCPDOSFM-IUCAKERBSA-N 0 3 296.327 -1.356 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1ccccn1 ZINC001379234398 888109111 /nfs/dbraw/zinc/10/91/11/888109111.db2.gz XDPORBQCJSVKMS-LLVKDONJSA-N 0 3 280.328 -1.434 20 0 CAADHN Cc1cc(C)n(CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001379232582 888109130 /nfs/dbraw/zinc/10/91/30/888109130.db2.gz WTXMFGNGYGMAQP-WDEREUQCSA-N 0 3 297.359 -1.560 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N(C)C[C@H](C)NCCF)C(N)=O ZINC001379243713 888110352 /nfs/dbraw/zinc/11/03/52/888110352.db2.gz FHBMFSNHSCCEQB-WPRPVWTQSA-N 0 3 290.339 -1.228 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001379236727 888110379 /nfs/dbraw/zinc/11/03/79/888110379.db2.gz WKOVGWAUSINPST-CABZTGNLSA-N 0 3 291.323 -1.730 20 0 CAADHN CN1CC(C(=O)NC[C@@H](O)CNCc2ccon2)=NC1=O ZINC001379238644 888110709 /nfs/dbraw/zinc/11/07/09/888110709.db2.gz DVPIDWDFMVWNIX-VIFPVBQESA-N 0 3 295.299 -1.006 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccnnc1 ZINC001379245604 888110811 /nfs/dbraw/zinc/11/08/11/888110811.db2.gz HSSSENTZQCTORS-SNVBAGLBSA-N 0 3 281.316 -1.755 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1[nH]c(C)nc1C)C(N)=O ZINC001379249074 888111016 /nfs/dbraw/zinc/11/10/16/888111016.db2.gz QJDKLCJVXPNKOK-VHSXEESVSA-N 0 3 297.359 -1.029 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001379243944 888111087 /nfs/dbraw/zinc/11/10/87/888111087.db2.gz TYZOYOBNKBAFPE-YUMQZZPRSA-N 0 3 299.331 -2.060 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnn(C)n1)C(=O)N(C)C ZINC001379250889 888111618 /nfs/dbraw/zinc/11/16/18/888111618.db2.gz KBEDWANRAKOCGX-BDAKNGLRSA-N 0 3 298.347 -2.028 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001379243932 888111682 /nfs/dbraw/zinc/11/16/82/888111682.db2.gz TYZOYOBNKBAFPE-JGVFFNPUSA-N 0 3 299.331 -2.060 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N(C)C[C@@H](C)NCCF)C(N)=O ZINC001379243711 888111737 /nfs/dbraw/zinc/11/17/37/888111737.db2.gz FHBMFSNHSCCEQB-SCZZXKLOSA-N 0 3 290.339 -1.228 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001379243927 888111778 /nfs/dbraw/zinc/11/17/78/888111778.db2.gz TYZOYOBNKBAFPE-HTQZYQBOSA-N 0 3 299.331 -2.060 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1[nH]c(C)nc1C)C(N)=O ZINC001379249076 888111868 /nfs/dbraw/zinc/11/18/68/888111868.db2.gz QJDKLCJVXPNKOK-ZJUUUORDSA-N 0 3 297.359 -1.029 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)NCC(=O)NC1CC1 ZINC001379236620 888111930 /nfs/dbraw/zinc/11/19/30/888111930.db2.gz ZQOCWOXATCRDCW-WPRPVWTQSA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)NCC(=O)NC1CC1 ZINC001379236605 888111953 /nfs/dbraw/zinc/11/19/53/888111953.db2.gz ZQOCWOXATCRDCW-SCZZXKLOSA-N 0 3 297.359 -1.617 20 0 CAADHN CN1CC(C(=O)NC[C@H](O)CNCc2ccon2)=NC1=O ZINC001379238640 888111995 /nfs/dbraw/zinc/11/19/95/888111995.db2.gz DVPIDWDFMVWNIX-SECBINFHSA-N 0 3 295.299 -1.006 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001379238767 888112182 /nfs/dbraw/zinc/11/21/82/888112182.db2.gz DZROZUHXNIMUOZ-MRVPVSSYSA-N 0 3 299.331 -2.106 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1ccnnc1 ZINC001379249033 888112354 /nfs/dbraw/zinc/11/23/54/888112354.db2.gz QIWQNVPHDQYJKM-GHMZBOCLSA-N 0 3 293.327 -1.565 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1cnn(C)n1)C(N)=O ZINC001379238668 888112624 /nfs/dbraw/zinc/11/26/24/888112624.db2.gz FFPPAIJPSSTIJL-WCBMZHEXSA-N 0 3 298.347 -2.312 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)NCC(=O)NC1CC1 ZINC001379236597 888112695 /nfs/dbraw/zinc/11/26/95/888112695.db2.gz ZQOCWOXATCRDCW-PSASIEDQSA-N 0 3 297.359 -1.617 20 0 CAADHN Cc1noc(C)c1[C@@H](C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001379257143 888113554 /nfs/dbraw/zinc/11/35/54/888113554.db2.gz VWMJVCOKGPTKDL-XCBNKYQSSA-N 0 3 298.343 -1.053 20 0 CAADHN CCCn1cc(C(=O)NC[C@@H](O)CNCC(N)=O)c(C)n1 ZINC001379261356 888113825 /nfs/dbraw/zinc/11/38/25/888113825.db2.gz QRQNOUSUKSQXTI-JTQLQIEISA-N 0 3 297.359 -1.233 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001379262326 888114327 /nfs/dbraw/zinc/11/43/27/888114327.db2.gz WXDQJNZLHTUFIC-SECBINFHSA-N 0 3 297.359 -1.500 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1cncn1C)C(N)=O ZINC001379262076 888114587 /nfs/dbraw/zinc/11/45/87/888114587.db2.gz WBOOQLOYKWHGCB-SCZZXKLOSA-N 0 3 283.332 -2.097 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnn(C)n1)C(N)=O ZINC001379257976 888114642 /nfs/dbraw/zinc/11/46/42/888114642.db2.gz WRXFABLUNQFGEQ-HTQZYQBOSA-N 0 3 284.320 -2.241 20 0 CAADHN CCn1ccc(CNC[C@H](O)CNC(=O)c2ncn[nH]2)n1 ZINC001379254847 888114929 /nfs/dbraw/zinc/11/49/29/888114929.db2.gz AXXMCPQEISGXHA-JTQLQIEISA-N 0 3 293.331 -1.098 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001379254257 888114845 /nfs/dbraw/zinc/11/48/45/888114845.db2.gz OOZAOWYDPUYKBA-JTQLQIEISA-N 0 3 283.332 -1.845 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001379261920 888114876 /nfs/dbraw/zinc/11/48/76/888114876.db2.gz KAOPNOZHDRTGTK-BDAKNGLRSA-N 0 3 296.331 -2.308 20 0 CAADHN CCn1ccc(CNC[C@H](O)CNC(=O)c2nnc[nH]2)n1 ZINC001379254847 888114925 /nfs/dbraw/zinc/11/49/25/888114925.db2.gz AXXMCPQEISGXHA-JTQLQIEISA-N 0 3 293.331 -1.098 20 0 CAADHN Cc1noc(C)c1[C@H](C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001379257137 888115030 /nfs/dbraw/zinc/11/50/30/888115030.db2.gz VWMJVCOKGPTKDL-OIBJUYFYSA-N 0 3 298.343 -1.053 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(Cl)no1 ZINC001379259960 888115145 /nfs/dbraw/zinc/11/51/45/888115145.db2.gz AGPIKFRZLSEPTJ-LURJTMIESA-N 0 3 290.707 -1.246 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CNCC(=O)NC(C)C)n1 ZINC001379259129 888115378 /nfs/dbraw/zinc/11/53/78/888115378.db2.gz YTNSJLSHSLYMQL-JTQLQIEISA-N 0 3 297.359 -1.077 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ncccn1 ZINC001379257231 888115759 /nfs/dbraw/zinc/11/57/59/888115759.db2.gz GTOBLANNVZNVQI-IUCAKERBSA-N 0 3 281.316 -1.709 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1ccco1 ZINC001379255723 888115847 /nfs/dbraw/zinc/11/58/47/888115847.db2.gz CYURYWYFMSLBMZ-SNVBAGLBSA-N 0 3 283.328 -1.023 20 0 CAADHN Cc1n[nH]c(C)c1CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001379272698 888117189 /nfs/dbraw/zinc/11/71/89/888117189.db2.gz GAWIOMFHCWMZNT-ZJUUUORDSA-N 0 3 297.359 -1.490 20 0 CAADHN CC[C@@H](N[C@H](C)CN(C)C(=O)CCn1cnnn1)C(N)=O ZINC001379272461 888117382 /nfs/dbraw/zinc/11/73/82/888117382.db2.gz VPFIEEBMCIOLAX-NXEZZACHSA-N 0 3 297.363 -1.236 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ncoc1C1CC1 ZINC001379269535 888117698 /nfs/dbraw/zinc/11/76/98/888117698.db2.gz OOJHDIHUQXYXDM-QMMMGPOBSA-N 0 3 282.300 -1.282 20 0 CAADHN CC[C@@H](N[C@@H](C)CN(C)C(=O)CCn1cnnn1)C(N)=O ZINC001379272477 888117846 /nfs/dbraw/zinc/11/78/46/888117846.db2.gz VPFIEEBMCIOLAX-VHSXEESVSA-N 0 3 297.363 -1.236 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NCC(=O)NC1CC1 ZINC001379289212 888118146 /nfs/dbraw/zinc/11/81/46/888118146.db2.gz STJQDULWYULNRP-ONGXEEELSA-N 0 3 296.371 -1.020 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)CCNC(N)=O ZINC001379270909 888118237 /nfs/dbraw/zinc/11/82/37/888118237.db2.gz CQEMUSPFASDGJU-JTQLQIEISA-N 0 3 298.347 -1.955 20 0 CAADHN CC[C@H](N[C@H](C)CN(C)C(=O)CCn1cnnn1)C(N)=O ZINC001379272485 888118534 /nfs/dbraw/zinc/11/85/34/888118534.db2.gz VPFIEEBMCIOLAX-ZJUUUORDSA-N 0 3 297.363 -1.236 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2ccncn2)n[nH]1 ZINC001379266783 888118586 /nfs/dbraw/zinc/11/85/86/888118586.db2.gz VLPQITBMDMNHPW-VIFPVBQESA-N 0 3 291.315 -1.216 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1c(C)noc1C ZINC001379279365 888118709 /nfs/dbraw/zinc/11/87/09/888118709.db2.gz RXORPHFNXPYZSN-JTQLQIEISA-N 0 3 298.343 -1.353 20 0 CAADHN CO[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1CCCC1 ZINC001379286496 888118725 /nfs/dbraw/zinc/11/87/25/888118725.db2.gz YPUPEFJSXPRVBC-JQWIXIFHSA-N 0 3 287.360 -1.256 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)COc1cccnc1)C(N)=O ZINC001379270201 888118806 /nfs/dbraw/zinc/11/88/06/888118806.db2.gz ZWHLPFSQDLRGAP-NXEZZACHSA-N 0 3 296.327 -1.599 20 0 CAADHN CCOc1cnc(C(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001379280154 888119068 /nfs/dbraw/zinc/11/90/68/888119068.db2.gz BFKTTYOYGLHYFN-QMMMGPOBSA-N 0 3 297.315 -1.959 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1[nH]cnc1C ZINC001379287978 888119200 /nfs/dbraw/zinc/11/92/00/888119200.db2.gz MHUDDNDMHFKZTO-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1ccc[nH]1 ZINC001379288634 888119307 /nfs/dbraw/zinc/11/93/07/888119307.db2.gz IWWBYBJLEFAPEN-KOLCDFICSA-N 0 3 282.344 -1.242 20 0 CAADHN CO[C@H](C(=O)NC[C@H](O)CNCC(N)=O)C1CCCC1 ZINC001379286509 888119344 /nfs/dbraw/zinc/11/93/44/888119344.db2.gz YPUPEFJSXPRVBC-PWSUYJOCSA-N 0 3 287.360 -1.256 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1c(C)noc1C ZINC001379279370 888119354 /nfs/dbraw/zinc/11/93/54/888119354.db2.gz RXORPHFNXPYZSN-SNVBAGLBSA-N 0 3 298.343 -1.353 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ncoc1C1CC1 ZINC001379269529 888119365 /nfs/dbraw/zinc/11/93/65/888119365.db2.gz OOJHDIHUQXYXDM-MRVPVSSYSA-N 0 3 282.300 -1.282 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cccc(OC)n1 ZINC001379266468 888119431 /nfs/dbraw/zinc/11/94/31/888119431.db2.gz KKJOIGRRGDGWBQ-SECBINFHSA-N 0 3 296.327 -1.484 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)COc1cccnc1)C(N)=O ZINC001379270203 888119472 /nfs/dbraw/zinc/11/94/72/888119472.db2.gz ZWHLPFSQDLRGAP-UWVGGRQHSA-N 0 3 296.327 -1.599 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cn1ccnc1C ZINC001379283453 888119495 /nfs/dbraw/zinc/11/94/95/888119495.db2.gz HZJMUMLNMLRSTP-SNVBAGLBSA-N 0 3 283.332 -1.996 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1nccs1 ZINC001379266035 888119620 /nfs/dbraw/zinc/11/96/20/888119620.db2.gz XSTGLGVPVQPOFR-QMMMGPOBSA-N 0 3 286.357 -1.041 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)CCOC ZINC001379322179 888120970 /nfs/dbraw/zinc/12/09/70/888120970.db2.gz NMBQSZOVMPLUON-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CS(C)(=O)=O ZINC001379304600 888121144 /nfs/dbraw/zinc/12/11/44/888121144.db2.gz GCKSDYZGJYVCAJ-MRVPVSSYSA-N 0 3 279.362 -1.657 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001379308429 888121203 /nfs/dbraw/zinc/12/12/03/888121203.db2.gz GXZILHPIKNIAPO-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN CC(C)(F)C(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001379331067 888121312 /nfs/dbraw/zinc/12/13/12/888121312.db2.gz GLYPMQULGJGXOE-SECBINFHSA-N 0 3 290.339 -1.174 20 0 CAADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)NCC(=O)N1CCC1 ZINC001379318014 888121688 /nfs/dbraw/zinc/12/16/88/888121688.db2.gz RTXYDEBKIYTGPA-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001379318284 888121751 /nfs/dbraw/zinc/12/17/51/888121751.db2.gz OAUOKYHDHZIYFH-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCC(=O)NCC(=O)N(CC)CCN[C@H](C)C(N)=O ZINC001379294073 888121959 /nfs/dbraw/zinc/12/19/59/888121959.db2.gz ABUUKAGIIIUHEL-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CN1CCCC1=O ZINC001379306521 888122268 /nfs/dbraw/zinc/12/22/68/888122268.db2.gz JQNUZWCNISATKO-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NCC(N)=O ZINC001379315848 888122309 /nfs/dbraw/zinc/12/23/09/888122309.db2.gz RVJUWCAHACPNKG-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)Cn1cncn1 ZINC001379311530 888122556 /nfs/dbraw/zinc/12/25/56/888122556.db2.gz KDZCFAGTXLMQKO-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001379290977 888122933 /nfs/dbraw/zinc/12/29/33/888122933.db2.gz RMNZZQXYKXWUJH-WPRPVWTQSA-N 0 3 283.332 -1.924 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cncnc1 ZINC001379347221 888123897 /nfs/dbraw/zinc/12/38/97/888123897.db2.gz AROYWPNYCNOOGH-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1cncnc1 ZINC001379347219 888124484 /nfs/dbraw/zinc/12/44/84/888124484.db2.gz AROYWPNYCNOOGH-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1cnn(C)c1N ZINC001379347242 888124955 /nfs/dbraw/zinc/12/49/55/888124955.db2.gz BVUUOKXFSYDAIS-APPZFPTMSA-N 0 3 280.332 -1.401 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CS(C)(=O)=O ZINC001379344949 888125113 /nfs/dbraw/zinc/12/51/13/888125113.db2.gz PUQYNGPXBKRFOI-BDAKNGLRSA-N 0 3 291.373 -1.644 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1COCCO1 ZINC001379342968 888125334 /nfs/dbraw/zinc/12/53/34/888125334.db2.gz VUWDVURQLNKOQM-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1cnn(C)c1N ZINC001379349453 888125412 /nfs/dbraw/zinc/12/54/12/888125412.db2.gz QFEGAXIACFIVKM-SCZZXKLOSA-N 0 3 294.359 -1.059 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1cnn(C)c1N ZINC001379349452 888126029 /nfs/dbraw/zinc/12/60/29/888126029.db2.gz QFEGAXIACFIVKM-PSASIEDQSA-N 0 3 294.359 -1.059 20 0 CAADHN CC[C@@H](C)NC(=O)CNC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001379353198 888127151 /nfs/dbraw/zinc/12/71/51/888127151.db2.gz DACZXQDWNHDTJS-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)c1ncn(C)n1 ZINC001379359017 888127402 /nfs/dbraw/zinc/12/74/02/888127402.db2.gz FHBFSFRKVRBEOM-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)C[C@H](C)NC(N)=O ZINC001379353194 888129030 /nfs/dbraw/zinc/12/90/30/888129030.db2.gz DAAPTEVWOAQGDF-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)c1ccn[nH]1 ZINC001379355200 888129377 /nfs/dbraw/zinc/12/93/77/888129377.db2.gz AFEVLGAACPDBPM-VIFPVBQESA-N 0 3 296.331 -1.885 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1cocn1 ZINC001379371743 888130936 /nfs/dbraw/zinc/13/09/36/888130936.db2.gz VNIKCSKGIPXABB-VIFPVBQESA-N 0 3 280.288 -1.353 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)C[C@H]1CCNC1=O ZINC001379383808 888134313 /nfs/dbraw/zinc/13/43/13/888134313.db2.gz QORSRTMVUDAQGJ-NXEZZACHSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)Cn1ncn(C)c1=O ZINC001379382321 888134789 /nfs/dbraw/zinc/13/47/89/888134789.db2.gz UYIGGTMFNIIQML-SSDOTTSWSA-N 0 3 270.293 -2.839 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)C[C@@H]1CCNC1=O ZINC001379383812 888135652 /nfs/dbraw/zinc/13/56/52/888135652.db2.gz QORSRTMVUDAQGJ-ZJUUUORDSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)CCn1ccnc1 ZINC001379401751 888137002 /nfs/dbraw/zinc/13/70/02/888137002.db2.gz FULOANFUNVXLOY-SECBINFHSA-N 0 3 296.331 -1.438 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccnc(OC)n1 ZINC001379401362 888138012 /nfs/dbraw/zinc/13/80/12/888138012.db2.gz UGMNPHJSFPRJNX-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN CO[C@H](C(=O)N[C@H](C)CNCC(=O)NC(N)=O)C(C)C ZINC001379423032 888140884 /nfs/dbraw/zinc/14/08/84/888140884.db2.gz WQRXMZOJGKVBJV-SCZZXKLOSA-N 0 3 288.348 -1.053 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001379418571 888140029 /nfs/dbraw/zinc/14/00/29/888140029.db2.gz ZUTWCUNCTMEFPO-IWSPIJDZSA-N 0 3 270.333 -1.425 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379416185 888140281 /nfs/dbraw/zinc/14/02/81/888140281.db2.gz JEADHDURSQYLPL-SFYZADRCSA-N 0 3 271.321 -2.150 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCc1cnn(C)n1 ZINC001379413597 888140352 /nfs/dbraw/zinc/14/03/52/888140352.db2.gz ALALTMIMHWBFGB-KOLCDFICSA-N 0 3 294.359 -1.270 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1c[nH]c(=O)cn1 ZINC001379412895 888140567 /nfs/dbraw/zinc/14/05/67/888140567.db2.gz FPCBVWMNUCGBTK-MRVPVSSYSA-N 0 3 281.316 -1.434 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@@H]1CCCCO1 ZINC001379407600 888140862 /nfs/dbraw/zinc/14/08/62/888140862.db2.gz ZZSCVRSXEZVECT-NEPJUHHUSA-N 0 3 297.359 -1.086 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)c1nnn(C)n1 ZINC001379422663 888141432 /nfs/dbraw/zinc/14/14/32/888141432.db2.gz NWDRISIGIDQSMH-SFYZADRCSA-N 0 3 281.320 -1.803 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)N[C@H](C)CNCC(N)=O ZINC001379430135 888142413 /nfs/dbraw/zinc/14/24/13/888142413.db2.gz HLYBCERIWPXKAU-MRVPVSSYSA-N 0 3 272.349 -1.272 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCCS(C)(=O)=O ZINC001379431182 888142519 /nfs/dbraw/zinc/14/25/19/888142519.db2.gz KCLJTWPTEBZMCG-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN CC[C@H](N[C@H](CO)CNC(=O)Cn1cncc1C)C(N)=O ZINC001379440502 888142842 /nfs/dbraw/zinc/14/28/42/888142842.db2.gz JHLAEEZLXVQHSO-QWRGUYRKSA-N 0 3 297.359 -1.478 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001379426716 888143310 /nfs/dbraw/zinc/14/33/10/888143310.db2.gz AKFAPEDVBNZRMX-SFYZADRCSA-N 0 3 299.331 -2.185 20 0 CAADHN CC[C@H](N[C@@H](CO)CNC(=O)Cn1cncc1C)C(N)=O ZINC001379440498 888143396 /nfs/dbraw/zinc/14/33/96/888143396.db2.gz JHLAEEZLXVQHSO-MNOVXSKESA-N 0 3 297.359 -1.478 20 0 CAADHN C[C@H](CNCc1cnn(C)c1)NC(=O)c1nnn(C)n1 ZINC001379425579 888144128 /nfs/dbraw/zinc/14/41/28/888144128.db2.gz ZWSNDAOQKRHJAD-MRVPVSSYSA-N 0 3 278.320 -1.148 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)CCn2cnnn2)n[nH]1 ZINC001379454694 888145798 /nfs/dbraw/zinc/14/57/98/888145798.db2.gz UQIBVPFQNVLRDW-MRVPVSSYSA-N 0 3 293.335 -1.216 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCNC(N)=O ZINC001379458636 888145827 /nfs/dbraw/zinc/14/58/27/888145827.db2.gz KFZSWOAKLVSGTD-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCCC(=O)N(C)C ZINC001379446570 888146193 /nfs/dbraw/zinc/14/61/93/888146193.db2.gz CHPKMISJEVLELX-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001379464633 888146306 /nfs/dbraw/zinc/14/63/06/888146306.db2.gz BMUJUFCTRIVQSZ-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCN1CCCC1=O ZINC001379461555 888146407 /nfs/dbraw/zinc/14/64/07/888146407.db2.gz BGFWUUBXRBYVGW-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001379448675 888146431 /nfs/dbraw/zinc/14/64/31/888146431.db2.gz JONDDQQXWVHSKI-UTLUCORTSA-N 0 3 282.344 -1.362 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)Cn1cncn1 ZINC001379456044 888146552 /nfs/dbraw/zinc/14/65/52/888146552.db2.gz BKJAGFWDWVKZEX-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@H](C)CNCC(=O)NC ZINC001379462037 888146611 /nfs/dbraw/zinc/14/66/11/888146611.db2.gz DLXBOYXTEQZNOO-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN Cc1nnc(CN[C@H](CO)CNC(=O)[C@H]2CCCN2C)[nH]1 ZINC001379465074 888146994 /nfs/dbraw/zinc/14/69/94/888146994.db2.gz NBLOGUYYOZZFIA-WDEREUQCSA-N 0 3 296.375 -1.226 20 0 CAADHN Cc1nn[nH]c1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001379450696 888147020 /nfs/dbraw/zinc/14/70/20/888147020.db2.gz NSOWIFQZWWRXEU-VIFPVBQESA-N 0 3 294.319 -1.915 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001379450801 888147095 /nfs/dbraw/zinc/14/70/95/888147095.db2.gz PRRWJZDVTPVLKY-VWYCJHECSA-N 0 3 296.371 -1.020 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)[C@H]1CC12CC2 ZINC001379477855 888148688 /nfs/dbraw/zinc/14/86/88/888148688.db2.gz VGQALMIYZLUELI-GHMZBOCLSA-N 0 3 296.371 -1.122 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCCNC1=O ZINC001379475774 888148879 /nfs/dbraw/zinc/14/88/79/888148879.db2.gz MZBCOEJYVNUFJC-WPRPVWTQSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001379473501 888148977 /nfs/dbraw/zinc/14/89/77/888148977.db2.gz BIYWWASWUJRWQK-VIFPVBQESA-N 0 3 284.320 -2.450 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001379473501 888148986 /nfs/dbraw/zinc/14/89/86/888148986.db2.gz BIYWWASWUJRWQK-VIFPVBQESA-N 0 3 284.320 -2.450 20 0 CAADHN COCCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001379470817 888149532 /nfs/dbraw/zinc/14/95/32/888149532.db2.gz ABNYOPPDZFCRPT-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCc1cn(C)nn1 ZINC001379483030 888150169 /nfs/dbraw/zinc/15/01/69/888150169.db2.gz STXQTEGYCZUDKD-SECBINFHSA-N 0 3 282.348 -1.412 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)[C@@H]1CC12CC2 ZINC001379477858 888149616 /nfs/dbraw/zinc/14/96/16/888149616.db2.gz VGQALMIYZLUELI-MNOVXSKESA-N 0 3 296.371 -1.122 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CS(=O)(=O)CC ZINC001379469572 888150737 /nfs/dbraw/zinc/15/07/37/888150737.db2.gz VTVQWWAUUAOSAR-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H](CO)[NH2+]CCO ZINC001379470114 888150827 /nfs/dbraw/zinc/15/08/27/888150827.db2.gz KMIUAZFQKJNKCN-MRVPVSSYSA-N 0 3 270.289 -1.837 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@H](C)NC(N)=O ZINC001379490918 888152693 /nfs/dbraw/zinc/15/26/93/888152693.db2.gz UCYKIHYOVJNKAC-XHNCKOQMSA-N 0 3 285.348 -1.632 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001379492603 888153451 /nfs/dbraw/zinc/15/34/51/888153451.db2.gz WUCXDLVTYWSZIH-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C1=CCOCC1 ZINC001379489365 888154120 /nfs/dbraw/zinc/15/41/20/888154120.db2.gz DGQQHZDOGYRLCG-QMMMGPOBSA-N 0 3 284.316 -1.378 20 0 CAADHN C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)c1ccn[nH]1 ZINC001379489112 888154161 /nfs/dbraw/zinc/15/41/61/888154161.db2.gz NNVSXDKMHUJQMW-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1cn(C)nn1 ZINC001379491287 888154242 /nfs/dbraw/zinc/15/42/42/888154242.db2.gz BZTARQHWSASOBK-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN Cc1nn(C)cc1CN[C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001379495621 888154305 /nfs/dbraw/zinc/15/43/05/888154305.db2.gz AGDVKCQLHHLPDX-JTQLQIEISA-N 0 3 293.331 -1.273 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cn(C)cn1)C(=O)NC(N)=O ZINC001379494713 888154789 /nfs/dbraw/zinc/15/47/89/888154789.db2.gz MRGFLJCSKSQZRY-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001379508624 888155873 /nfs/dbraw/zinc/15/58/73/888155873.db2.gz PQSODAZWDGVZCX-JTQLQIEISA-N 0 3 294.315 -1.045 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CN(C)C(=O)C1CC1)C(N)=O ZINC001379507311 888156886 /nfs/dbraw/zinc/15/68/86/888156886.db2.gz CTJMGFDGJNFPNI-DTWKUNHWSA-N 0 3 284.360 -1.177 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NCc1nncn1C)N(C)C ZINC001379507155 888156986 /nfs/dbraw/zinc/15/69/86/888156986.db2.gz UOCQOKWVMBMHJI-GHMZBOCLSA-N 0 3 298.391 -1.278 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001379510652 888157611 /nfs/dbraw/zinc/15/76/11/888157611.db2.gz VLTRNVBCRRLEGD-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN Cc1nocc1CN[C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001379510744 888157641 /nfs/dbraw/zinc/15/76/41/888157641.db2.gz SVLJEJRNKCVNLA-SNVBAGLBSA-N 0 3 294.315 -1.089 20 0 CAADHN Cc1nocc1CN[C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001379510737 888157936 /nfs/dbraw/zinc/15/79/36/888157936.db2.gz SVLJEJRNKCVNLA-JTQLQIEISA-N 0 3 294.315 -1.089 20 0 CAADHN O=C(CN1CCCC1)NC[C@@H](CO)NCC(=O)N1CCC1 ZINC001379526934 888159072 /nfs/dbraw/zinc/15/90/72/888159072.db2.gz LYEZLVBJAAJWCK-LBPRGKRZSA-N 0 3 298.387 -1.619 20 0 CAADHN CC(C)CNC(=O)CNC[C@H](C)NC(=O)Cn1ncnn1 ZINC001379517230 888159121 /nfs/dbraw/zinc/15/91/21/888159121.db2.gz XTPSFJSUEVOXLZ-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001379524517 888159184 /nfs/dbraw/zinc/15/91/84/888159184.db2.gz MSIRTEGEQJNBSH-VHSXEESVSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCS(C)(=O)=O ZINC001379518834 888159658 /nfs/dbraw/zinc/15/96/58/888159658.db2.gz SAXSPFNESJIXEG-DTWKUNHWSA-N 0 3 291.373 -1.596 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001379518470 888159374 /nfs/dbraw/zinc/15/93/74/888159374.db2.gz OHPBHAZUQYJFFC-IUCAKERBSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001379524027 888159416 /nfs/dbraw/zinc/15/94/16/888159416.db2.gz KLRXPRXCJQOGKH-JGVFFNPUSA-N 0 3 277.346 -1.999 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC001379517426 888159707 /nfs/dbraw/zinc/15/97/07/888159707.db2.gz XUWYLWLCBBKAKP-IUCAKERBSA-N 0 3 296.327 -1.023 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC ZINC001379521934 888160274 /nfs/dbraw/zinc/16/02/74/888160274.db2.gz SZCDMDCTCPGLRG-WDEREUQCSA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccnc2ccnn21 ZINC001379517639 888160833 /nfs/dbraw/zinc/16/08/33/888160833.db2.gz VJRWNDAYMNSDCR-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001379524032 888160919 /nfs/dbraw/zinc/16/09/19/888160919.db2.gz KLRXPRXCJQOGKH-YUMQZZPRSA-N 0 3 277.346 -1.999 20 0 CAADHN Cc1nccn1CC(=O)NC[C@H](CO)NCC(=O)N(C)C ZINC001379523205 888161068 /nfs/dbraw/zinc/16/10/68/888161068.db2.gz BPTAPANGXKZHIN-LLVKDONJSA-N 0 3 297.359 -1.654 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001379518469 888161129 /nfs/dbraw/zinc/16/11/29/888161129.db2.gz OHPBHAZUQYJFFC-DTWKUNHWSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001379580918 888162826 /nfs/dbraw/zinc/16/28/26/888162826.db2.gz SSCWCLOZSYUCBT-GARJFASQSA-N 0 3 296.371 -1.020 20 0 CAADHN CCOCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C[C@@H]1C ZINC001379572447 888162960 /nfs/dbraw/zinc/16/29/60/888162960.db2.gz ILPZPGREMSHXBM-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCCC(N)=O ZINC001379583062 888163164 /nfs/dbraw/zinc/16/31/64/888163164.db2.gz GGEWDWMQKREYJC-IUCAKERBSA-N 0 3 270.333 -1.294 20 0 CAADHN Cc1nccn1CC(=O)NC[C@H](CO)N[C@H](C)C(N)=O ZINC001379531552 888163276 /nfs/dbraw/zinc/16/32/76/888163276.db2.gz WKGQPYUQCCKHGO-PSASIEDQSA-N 0 3 283.332 -1.868 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2cnn(C)c2N)C1 ZINC001379580692 888163294 /nfs/dbraw/zinc/16/32/94/888163294.db2.gz LUEJPDBNWKMMRS-DTWKUNHWSA-N 0 3 294.359 -1.059 20 0 CAADHN CCOCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C[C@@H]1C ZINC001379572445 888163469 /nfs/dbraw/zinc/16/34/69/888163469.db2.gz ILPZPGREMSHXBM-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001379544823 888163731 /nfs/dbraw/zinc/16/37/31/888163731.db2.gz NBUJVWKMDWTCIO-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379546203 888164170 /nfs/dbraw/zinc/16/41/70/888164170.db2.gz DTXJKHBROHBWEG-YUMQZZPRSA-N 0 3 271.321 -2.102 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001379537982 888163882 /nfs/dbraw/zinc/16/38/82/888163882.db2.gz XJRWBBLNMSRVSV-JGVFFNPUSA-N 0 3 281.316 -1.388 20 0 CAADHN CCOCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C[C@H]1C ZINC001379572439 888164809 /nfs/dbraw/zinc/16/48/09/888164809.db2.gz ILPZPGREMSHXBM-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)Cn1cnnn1 ZINC001379546385 888164870 /nfs/dbraw/zinc/16/48/70/888164870.db2.gz OWMPVHOITQSMFN-VHSXEESVSA-N 0 3 295.347 -1.660 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2cnn(C)c2N)C1 ZINC001379580695 888165314 /nfs/dbraw/zinc/16/53/14/888165314.db2.gz LUEJPDBNWKMMRS-IUCAKERBSA-N 0 3 294.359 -1.059 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)Cn1cnnn1 ZINC001379546365 888165345 /nfs/dbraw/zinc/16/53/45/888165345.db2.gz OWMPVHOITQSMFN-NXEZZACHSA-N 0 3 295.347 -1.660 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H](C)CC(N)=O ZINC001379534222 888165354 /nfs/dbraw/zinc/16/53/54/888165354.db2.gz YXONMCMCRSIIEE-YUMQZZPRSA-N 0 3 298.347 -1.786 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C2CN(C(C)=O)C2)C1 ZINC001379588414 888165359 /nfs/dbraw/zinc/16/53/59/888165359.db2.gz VRLNLIGNRWKAIO-BXKDBHETSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001379598285 888166061 /nfs/dbraw/zinc/16/60/61/888166061.db2.gz KMAZLQDQOQGXSA-QWRGUYRKSA-N 0 3 286.376 -1.466 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001379597221 888166829 /nfs/dbraw/zinc/16/68/29/888166829.db2.gz MXRGBENGNZGLBD-IUCAKERBSA-N 0 3 297.359 -1.304 20 0 CAADHN CO[C@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001379771386 888173166 /nfs/dbraw/zinc/17/31/66/888173166.db2.gz UPGXXQDELFJHML-NXEZZACHSA-N 0 3 275.349 -1.482 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CNCC(N)=O ZINC001379593963 888167031 /nfs/dbraw/zinc/16/70/31/888167031.db2.gz PNBRGMHSMYXNOB-QMMMGPOBSA-N 0 3 279.362 -1.611 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001379645418 888167076 /nfs/dbraw/zinc/16/70/76/888167076.db2.gz UKUBAOICCHAHID-ZJUUUORDSA-N 0 3 291.348 -1.214 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001379677655 888167315 /nfs/dbraw/zinc/16/73/15/888167315.db2.gz JEPNIAXWTXVFBM-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001379590624 888167428 /nfs/dbraw/zinc/16/74/28/888167428.db2.gz CFNJNWVSNAPJFV-BQBZGAKWSA-N 0 3 278.334 -2.742 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001379603440 888167846 /nfs/dbraw/zinc/16/78/46/888167846.db2.gz PWJYWHXASQZVGV-BDAKNGLRSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1c[nH]c(C)n1 ZINC001379755917 888169632 /nfs/dbraw/zinc/16/96/32/888169632.db2.gz IDTWJFPBVMCOGZ-SCZZXKLOSA-N 0 3 297.359 -1.125 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001379744682 888169677 /nfs/dbraw/zinc/16/96/77/888169677.db2.gz JPSJEHIMLQWDPS-JTQLQIEISA-N 0 3 283.332 -1.811 20 0 CAADHN CC(C)OCC(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001379759222 888169734 /nfs/dbraw/zinc/16/97/34/888169734.db2.gz FUNPIZJZFXDMIZ-NSHDSACASA-N 0 3 289.376 -1.092 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001379740217 888169800 /nfs/dbraw/zinc/16/98/00/888169800.db2.gz DVBOLUXOKLFZPC-VHSXEESVSA-N 0 3 295.343 -1.366 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1ccon1 ZINC001379759135 888169933 /nfs/dbraw/zinc/16/99/33/888169933.db2.gz FLYLKOHHWGXYQI-UWVGGRQHSA-N 0 3 296.327 -1.072 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN(C)C[C@H](O)COC ZINC001379691899 888170037 /nfs/dbraw/zinc/17/00/37/888170037.db2.gz SRPYEPTXDXLQQO-ZJUUUORDSA-N 0 3 290.364 -1.641 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CNCC(=O)N1CCO[C@@H](C)C1 ZINC001379731279 888170059 /nfs/dbraw/zinc/17/00/59/888170059.db2.gz SSTSPKHJVSIRMN-JQWIXIFHSA-N 0 3 287.360 -1.338 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1ccon1 ZINC001379759141 888170611 /nfs/dbraw/zinc/17/06/11/888170611.db2.gz FLYLKOHHWGXYQI-ZJUUUORDSA-N 0 3 296.327 -1.072 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ccccn1)C(N)=O ZINC001379741120 888171741 /nfs/dbraw/zinc/17/17/41/888171741.db2.gz GNMYRYBFBBTYBE-VHSXEESVSA-N 0 3 280.328 -1.022 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(C)=O ZINC001379728731 888171241 /nfs/dbraw/zinc/17/12/41/888171241.db2.gz KAGQMUWNRSAPJH-PSASIEDQSA-N 0 3 288.348 -1.351 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1ccon1 ZINC001379759138 888171401 /nfs/dbraw/zinc/17/14/01/888171401.db2.gz FLYLKOHHWGXYQI-VHSXEESVSA-N 0 3 296.327 -1.072 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cocn1)C(N)=O ZINC001379753359 888171428 /nfs/dbraw/zinc/17/14/28/888171428.db2.gz BALFHOKECXKVPJ-DTWKUNHWSA-N 0 3 284.316 -1.039 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1ccon1 ZINC001379759132 888171606 /nfs/dbraw/zinc/17/16/06/888171606.db2.gz FLYLKOHHWGXYQI-NXEZZACHSA-N 0 3 296.327 -1.072 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNCc1cnn(C)c1 ZINC001379731799 888171655 /nfs/dbraw/zinc/17/16/55/888171655.db2.gz USZYWTMXSJSTAF-NSHDSACASA-N 0 3 270.333 -1.025 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cocn1 ZINC001379763474 888171867 /nfs/dbraw/zinc/17/18/67/888171867.db2.gz WBTOADGIXDRITL-IUCAKERBSA-N 0 3 282.300 -1.414 20 0 CAADHN CC(=O)N(C)C[C@H](O)CNCC(=O)N1CCO[C@H](C)C1 ZINC001379731286 888171882 /nfs/dbraw/zinc/17/18/82/888171882.db2.gz SSTSPKHJVSIRMN-ZYHUDNBSSA-N 0 3 287.360 -1.338 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@H]2CCNC2=O)no1 ZINC001379740515 888171933 /nfs/dbraw/zinc/17/19/33/888171933.db2.gz GGSURKBTMSOTAQ-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1ccnn1C ZINC001379794363 888172434 /nfs/dbraw/zinc/17/24/34/888172434.db2.gz HTFWWXWDGHDAQO-LLVKDONJSA-N 0 3 297.359 -1.753 20 0 CAADHN Cc1ncoc1C(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001379763766 888172572 /nfs/dbraw/zinc/17/25/72/888172572.db2.gz LERYTIHZVOOWAF-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cn1ncnn1 ZINC001379796580 888172615 /nfs/dbraw/zinc/17/26/15/888172615.db2.gz XZHMLHOBFJVINL-ZETCQYMHSA-N 0 3 271.281 -3.433 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)c1ccon1 ZINC001379763831 888173314 /nfs/dbraw/zinc/17/33/14/888173314.db2.gz LRENYASTAPKSBP-SNVBAGLBSA-N 0 3 296.327 -1.071 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001379796752 888173347 /nfs/dbraw/zinc/17/33/47/888173347.db2.gz FJWWKCSMEPITEG-DTWKUNHWSA-N 0 3 286.332 -2.451 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001379796754 888173468 /nfs/dbraw/zinc/17/34/68/888173468.db2.gz FJWWKCSMEPITEG-RKDXNWHRSA-N 0 3 286.332 -2.451 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)o1 ZINC001379781999 888173505 /nfs/dbraw/zinc/17/35/05/888173505.db2.gz TXEFMTDKGNEDIW-APPZFPTMSA-N 0 3 299.331 -1.797 20 0 CAADHN Cc1ncoc1C(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001379763776 888173799 /nfs/dbraw/zinc/17/37/99/888173799.db2.gz LERYTIHZVOOWAF-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CS(C)(=O)=O ZINC001379769898 888173811 /nfs/dbraw/zinc/17/38/11/888173811.db2.gz SQYXUBDNOLCOMR-SSDOTTSWSA-N 0 3 281.334 -3.075 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001379777882 888173851 /nfs/dbraw/zinc/17/38/51/888173851.db2.gz KKOCIAXWZAGSRS-QMMMGPOBSA-N 0 3 284.320 -2.416 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)o1 ZINC001379782001 888173887 /nfs/dbraw/zinc/17/38/87/888173887.db2.gz TXEFMTDKGNEDIW-CBAPKCEASA-N 0 3 299.331 -1.797 20 0 CAADHN Cc1ncoc1C(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001379763786 888173896 /nfs/dbraw/zinc/17/38/96/888173896.db2.gz LERYTIHZVOOWAF-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cocn1 ZINC001379763697 888174139 /nfs/dbraw/zinc/17/41/39/888174139.db2.gz WMOIXPRKDOJYIP-SECBINFHSA-N 0 3 284.316 -1.167 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@H]1CCOC1 ZINC001379839667 888175481 /nfs/dbraw/zinc/17/54/81/888175481.db2.gz OFGMVRSNLWPCMP-NXEZZACHSA-N 0 3 273.333 -1.693 20 0 CAADHN Cc1nc(C)c(C(=O)N(C)C[C@@H](O)CNCC(N)=O)[nH]1 ZINC001379836030 888175747 /nfs/dbraw/zinc/17/57/47/888175747.db2.gz RTPGWPVCKWUFFA-VIFPVBQESA-N 0 3 283.332 -1.466 20 0 CAADHN Cc1nccn1CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001379855728 888175795 /nfs/dbraw/zinc/17/57/95/888175795.db2.gz DHWLPAWUQJHHRI-SNVBAGLBSA-N 0 3 283.332 -1.914 20 0 CAADHN COc1nn(C)cc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001379826809 888175963 /nfs/dbraw/zinc/17/59/63/888175963.db2.gz SXBRSDOEPWEBSM-MRVPVSSYSA-N 0 3 299.331 -2.064 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cccnn1)C(N)=O ZINC001379848795 888175867 /nfs/dbraw/zinc/17/58/67/888175867.db2.gz DRRDMFSTLZGMJQ-UWVGGRQHSA-N 0 3 295.343 -1.237 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001379835647 888175929 /nfs/dbraw/zinc/17/59/29/888175929.db2.gz PAWVQTOYAJDZIE-RYUDHWBXSA-N 0 3 296.371 -1.162 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001379835632 888175975 /nfs/dbraw/zinc/17/59/75/888175975.db2.gz PAWVQTOYAJDZIE-NWDGAFQWSA-N 0 3 296.371 -1.162 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001379828836 888176046 /nfs/dbraw/zinc/17/60/46/888176046.db2.gz VRJNFVHFXDNQHX-JTQLQIEISA-N 0 3 297.359 -1.171 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](OC)C(C)C ZINC001379839246 888176112 /nfs/dbraw/zinc/17/61/12/888176112.db2.gz MQEDKBKPVQNPTE-PWSUYJOCSA-N 0 3 289.376 -1.188 20 0 CAADHN CCn1ncc(C(=O)N[C@H](CNCC(N)=O)C2CC2)n1 ZINC001379853624 888176165 /nfs/dbraw/zinc/17/61/65/888176165.db2.gz CNLYDLHOOSFEAZ-SECBINFHSA-N 0 3 280.332 -1.119 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001379854782 888176188 /nfs/dbraw/zinc/17/61/88/888176188.db2.gz HPWOFIWRUSMTMR-WCBMZHEXSA-N 0 3 295.347 -1.708 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001379836558 888176319 /nfs/dbraw/zinc/17/63/19/888176319.db2.gz CSIMZRKUYMJHOM-IUCAKERBSA-N 0 3 298.347 -2.028 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001379854785 888176356 /nfs/dbraw/zinc/17/63/56/888176356.db2.gz HPWOFIWRUSMTMR-WPRPVWTQSA-N 0 3 295.347 -1.708 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cccnn1)C(N)=O ZINC001379848788 888176394 /nfs/dbraw/zinc/17/63/94/888176394.db2.gz DRRDMFSTLZGMJQ-NXEZZACHSA-N 0 3 295.343 -1.237 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccncn1 ZINC001379838937 888176438 /nfs/dbraw/zinc/17/64/38/888176438.db2.gz GYMWRGBWJIBHKU-NXEZZACHSA-N 0 3 293.327 -1.612 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001379850963 888176461 /nfs/dbraw/zinc/17/64/61/888176461.db2.gz JDVPTESJGZFTDK-SECBINFHSA-N 0 3 299.331 -1.430 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1ncccn1 ZINC001379849605 888176724 /nfs/dbraw/zinc/17/67/24/888176724.db2.gz GJGVECNYEFTDQU-UWVGGRQHSA-N 0 3 293.327 -1.612 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)Cc1cnoc1)C(N)=O ZINC001379816804 888176846 /nfs/dbraw/zinc/17/68/46/888176846.db2.gz NYEZMLMMRAREPT-WDEREUQCSA-N 0 3 298.343 -1.110 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@H](O)CNCC(=O)NC)nn1 ZINC001379848176 888177004 /nfs/dbraw/zinc/17/70/04/888177004.db2.gz CDNDSEHQEZMDIS-SECBINFHSA-N 0 3 298.347 -1.934 20 0 CAADHN CCc1nc[nH]c1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001379866822 888178004 /nfs/dbraw/zinc/17/80/04/888178004.db2.gz CXIIFRSHHARICK-BDAKNGLRSA-N 0 3 297.359 -1.132 20 0 CAADHN C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1nnc[n-]1 ZINC001379904348 888178181 /nfs/dbraw/zinc/17/81/81/888178181.db2.gz BLELNYYNQHYTMV-MNOVXSKESA-N 0 3 299.375 -1.131 20 0 CAADHN C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1nnc[n-]1 ZINC001379904348 888178191 /nfs/dbraw/zinc/17/81/91/888178191.db2.gz BLELNYYNQHYTMV-MNOVXSKESA-N 0 3 299.375 -1.131 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)c1cnnn1C)C1CC1 ZINC001379862367 888178220 /nfs/dbraw/zinc/17/82/20/888178220.db2.gz QPZYOLIOOKNWAV-VIFPVBQESA-N 0 3 280.332 -1.341 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1cnn(C)c1 ZINC001379866088 888178693 /nfs/dbraw/zinc/17/86/93/888178693.db2.gz NXDWZWWZWJFSBI-NSHDSACASA-N 0 3 297.359 -1.753 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)c1ncn(C)n1)C1CC1 ZINC001379862104 888178924 /nfs/dbraw/zinc/17/89/24/888178924.db2.gz RRVQWZWUEMKCJD-VIFPVBQESA-N 0 3 280.332 -1.341 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](NC(=O)c1cnco1)C1CC1 ZINC001379882803 888179209 /nfs/dbraw/zinc/17/92/09/888179209.db2.gz RDLDCKRYAQIHMQ-MRVPVSSYSA-N 0 3 295.299 -1.033 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CN1CCOCC1=O)C1CC1 ZINC001379871140 888179504 /nfs/dbraw/zinc/17/95/04/888179504.db2.gz FYZKQLBVHVZGMT-SNVBAGLBSA-N 0 3 298.343 -2.185 20 0 CAADHN Cn1nnc(C(=O)N[C@@H](CN[C@H]2CCNC2=O)C2CC2)n1 ZINC001379900643 888179751 /nfs/dbraw/zinc/17/97/51/888179751.db2.gz QDZAJLAGFJZSIM-IUCAKERBSA-N 0 3 293.331 -1.803 20 0 CAADHN CCc1nc[nH]c1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001379866844 888180268 /nfs/dbraw/zinc/18/02/68/888180268.db2.gz CXIIFRSHHARICK-RKDXNWHRSA-N 0 3 297.359 -1.132 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ncccn1)C(N)=O ZINC001379861338 888180399 /nfs/dbraw/zinc/18/03/99/888180399.db2.gz ZIXDQHWHPPPRIU-DTWKUNHWSA-N 0 3 281.316 -1.627 20 0 CAADHN C[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001379887848 888180410 /nfs/dbraw/zinc/18/04/10/888180410.db2.gz MUOPOISUXUTGMS-GXSJLCMTSA-N 0 3 297.359 -1.582 20 0 CAADHN CN1C[C@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)CC1=O ZINC001379867282 888180425 /nfs/dbraw/zinc/18/04/25/888180425.db2.gz CXMCAOFPIQYSGO-NXEZZACHSA-N 0 3 282.344 -1.566 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001379869671 888180437 /nfs/dbraw/zinc/18/04/37/888180437.db2.gz WZGZZWJWHOBYLC-SNVBAGLBSA-N 0 3 298.347 -2.177 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)Cc1ccc[nH]1 ZINC001379867574 888180448 /nfs/dbraw/zinc/18/04/48/888180448.db2.gz QCQHDGJMBOXZGR-NWDGAFQWSA-N 0 3 294.355 -1.145 20 0 CAADHN Cn1cc(CCC(=O)N[C@H](CNCC(N)=O)C2CC2)nn1 ZINC001379913011 888180459 /nfs/dbraw/zinc/18/04/59/888180459.db2.gz AIPDNNFVFWAPED-LLVKDONJSA-N 0 3 294.359 -1.283 20 0 CAADHN CCc1nc[nH]c1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001379866836 888180551 /nfs/dbraw/zinc/18/05/51/888180551.db2.gz CXIIFRSHHARICK-IUCAKERBSA-N 0 3 297.359 -1.132 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001379893788 888180685 /nfs/dbraw/zinc/18/06/85/888180685.db2.gz AIWDMCQJDPKYGS-NSHDSACASA-N 0 3 287.360 -1.648 20 0 CAADHN CC(C)N1CC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001379966150 888182221 /nfs/dbraw/zinc/18/22/21/888182221.db2.gz JUYNECMKTXEUPA-VIFPVBQESA-N 0 3 280.332 -1.024 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@H](NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001379924233 888183152 /nfs/dbraw/zinc/18/31/52/888183152.db2.gz PXMHFWXKZWVSFK-WPRPVWTQSA-N 0 3 294.359 -1.034 20 0 CAADHN CC(C)N1CC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001379966145 888183498 /nfs/dbraw/zinc/18/34/98/888183498.db2.gz JUYNECMKTXEUPA-SECBINFHSA-N 0 3 280.332 -1.024 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001379924220 888184176 /nfs/dbraw/zinc/18/41/76/888184176.db2.gz PXMHFWXKZWVSFK-PSASIEDQSA-N 0 3 294.359 -1.034 20 0 CAADHN CC[C@H](NC1(CNC(=O)Cn2ncnn2)CC1)C(N)=O ZINC001380079960 888191463 /nfs/dbraw/zinc/19/14/63/888191463.db2.gz NTLZBJUEQNWCEO-QMMMGPOBSA-N 0 3 281.320 -1.825 20 0 CAADHN CN1CCO[C@@H](C(=O)NCC2(N[C@@H]3CCNC3=O)CC2)C1 ZINC001380065191 888190696 /nfs/dbraw/zinc/19/06/96/888190696.db2.gz TUPZLEFHHTVNQS-GHMZBOCLSA-N 0 3 296.371 -1.556 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001380064026 888191699 /nfs/dbraw/zinc/19/16/99/888191699.db2.gz LZTYDWZIJPZRMQ-LLVKDONJSA-N 0 3 298.387 -1.309 20 0 CAADHN COCCN(CCNC(=O)c1cn(C)nn1)C[C@H](C)O ZINC001380116959 888194004 /nfs/dbraw/zinc/19/40/04/888194004.db2.gz QDMYCUDSDSVJIS-JTQLQIEISA-N 0 3 285.348 -1.126 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)NCC1(NCC(N)=O)CC1 ZINC001380167717 888196317 /nfs/dbraw/zinc/19/63/17/888196317.db2.gz DLNQQRLCSJGPGL-NSHDSACASA-N 0 3 298.387 -1.322 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NCC1(NCC(N)=O)CC1 ZINC001380167715 888197908 /nfs/dbraw/zinc/19/79/08/888197908.db2.gz DLNQQRLCSJGPGL-LLVKDONJSA-N 0 3 298.387 -1.322 20 0 CAADHN CN1CC[C@H](CC(=O)N2CCC[C@@H]2CNCC(N)=O)C1=O ZINC001380281742 888199558 /nfs/dbraw/zinc/19/95/58/888199558.db2.gz BFDJKYLGKKJQCV-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1cnn(CCC(=O)N[C@@]2(C)CCN(CCO)C2)c1=O ZINC001380356377 888199832 /nfs/dbraw/zinc/19/98/32/888199832.db2.gz LHIMCVRNSLMQGA-ZDUSSCGKSA-N 0 3 297.359 -1.455 20 0 CAADHN CN1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)CC1=O ZINC001380286844 888199972 /nfs/dbraw/zinc/19/99/72/888199972.db2.gz MZBBPJYWHPUCEH-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)c1cn(C)nn1)C(N)=O ZINC001380262293 888201266 /nfs/dbraw/zinc/20/12/66/888201266.db2.gz GMUAADXLNJCCEN-IUCAKERBSA-N 0 3 280.332 -1.117 20 0 CAADHN CN1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)CC1=O ZINC001380286833 888201464 /nfs/dbraw/zinc/20/14/64/888201464.db2.gz MZBBPJYWHPUCEH-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1cnn(CCC(=O)N[C@]2(C)CCN(CCO)C2)c1=O ZINC001380356373 888201662 /nfs/dbraw/zinc/20/16/62/888201662.db2.gz LHIMCVRNSLMQGA-CYBMUJFWSA-N 0 3 297.359 -1.455 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)c1cn(C)nn1)C(N)=O ZINC001380262290 888201728 /nfs/dbraw/zinc/20/17/28/888201728.db2.gz GMUAADXLNJCCEN-DTWKUNHWSA-N 0 3 280.332 -1.117 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CNC(=O)NC ZINC001380266315 888201859 /nfs/dbraw/zinc/20/18/59/888201859.db2.gz BKZXPJQCARAXDQ-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)c2cn[n-]n2)C1 ZINC001380410981 888202585 /nfs/dbraw/zinc/20/25/85/888202585.db2.gz ORUXBIWDGURDBE-LBPRGKRZSA-N 0 3 280.332 -1.008 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CNC(=O)N2)CCOCC1 ZINC001380501674 888202878 /nfs/dbraw/zinc/20/28/78/888202878.db2.gz AMYKJMHFCKAMCN-MRVPVSSYSA-N 0 3 299.331 -2.592 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001380528885 888203838 /nfs/dbraw/zinc/20/38/38/888203838.db2.gz BEMGSZYAUNEZIN-CYBMUJFWSA-N 0 3 285.344 -1.990 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001380517753 888204025 /nfs/dbraw/zinc/20/40/25/888204025.db2.gz PZLMVJFCNQNXDC-LBPRGKRZSA-N 0 3 289.332 -1.458 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)CNC(=O)OC)C1 ZINC001380517749 888205259 /nfs/dbraw/zinc/20/52/59/888205259.db2.gz PZLMVJFCNQNXDC-GFCCVEGCSA-N 0 3 289.332 -1.458 20 0 CAADHN O=C(CCn1cncn1)NC[C@]1(O)CCN(CCO)C1 ZINC001380513159 888205736 /nfs/dbraw/zinc/20/57/36/888205736.db2.gz CYWLOTCDFQAIFT-GFCCVEGCSA-N 0 3 283.332 -1.787 20 0 CAADHN COCc1nocc1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001380547182 888207990 /nfs/dbraw/zinc/20/79/90/888207990.db2.gz QPWTUFSSBFWOJL-CYBMUJFWSA-N 0 3 299.327 -1.020 20 0 CAADHN NC(=O)CN1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001380553838 888209258 /nfs/dbraw/zinc/20/92/58/888209258.db2.gz KHJFIAQHYICDJX-LBPRGKRZSA-N 0 3 281.316 -2.010 20 0 CAADHN C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001380546372 888209691 /nfs/dbraw/zinc/20/96/91/888209691.db2.gz OICVKZBJIMHDIO-SKDRFNHKSA-N 0 3 283.332 -1.719 20 0 CAADHN C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001380546372 888209701 /nfs/dbraw/zinc/20/97/01/888209701.db2.gz OICVKZBJIMHDIO-SKDRFNHKSA-N 0 3 283.332 -1.719 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001380558200 888209989 /nfs/dbraw/zinc/20/99/89/888209989.db2.gz YLCYOHJKAZWBSV-ZDUSSCGKSA-N 0 3 298.343 -1.061 20 0 CAADHN Cn1cncc1CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001380566821 888210790 /nfs/dbraw/zinc/21/07/90/888210790.db2.gz DEMNMKPIDPHNRQ-CQSZACIVSA-N 0 3 296.371 -1.102 20 0 CAADHN NC(=O)CN1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001380553837 888211591 /nfs/dbraw/zinc/21/15/91/888211591.db2.gz KHJFIAQHYICDJX-GFCCVEGCSA-N 0 3 281.316 -2.010 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001380572310 888213519 /nfs/dbraw/zinc/21/35/19/888213519.db2.gz LNEOZTUWTCAJFE-GFCCVEGCSA-N 0 3 288.348 -1.756 20 0 CAADHN Cn1cc(CCC(=O)NC[C@]2(O)CCN(CCO)C2)nn1 ZINC001380574140 888214516 /nfs/dbraw/zinc/21/45/16/888214516.db2.gz BDLFJYXOIPQLRX-CYBMUJFWSA-N 0 3 297.359 -1.707 20 0 CAADHN Cn1cc(CCC(=O)NC[C@@]2(O)CCN(CCO)C2)nn1 ZINC001380574145 888214848 /nfs/dbraw/zinc/21/48/48/888214848.db2.gz BDLFJYXOIPQLRX-ZDUSSCGKSA-N 0 3 297.359 -1.707 20 0 CAADHN CCCN1CCC[C@H]1C(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001380596668 888217730 /nfs/dbraw/zinc/21/77/30/888217730.db2.gz BRAFPDCQTORFLA-NSHDSACASA-N 0 3 298.387 -1.491 20 0 CAADHN CCN(CC)C[C@@H](F)C(=O)NCC1(O)CN(CCO)C1 ZINC001380597098 888218482 /nfs/dbraw/zinc/21/84/82/888218482.db2.gz GPYCWJBEGTWXSB-LLVKDONJSA-N 0 3 291.367 -1.179 20 0 CAADHN CC[C@@H](C(=O)NCC1(O)CN(C[C@@H](C)O)C1)N(C)C ZINC001380610854 888219522 /nfs/dbraw/zinc/21/95/22/888219522.db2.gz APGGHOBEWCLZOJ-MNOVXSKESA-N 0 3 273.377 -1.130 20 0 CAADHN CC[C@@H](C(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1)N(C)C ZINC001380639091 888222970 /nfs/dbraw/zinc/22/29/70/888222970.db2.gz AIWQQQOLURQLGA-WDEREUQCSA-N 0 3 298.387 -1.622 20 0 CAADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001380648501 888224089 /nfs/dbraw/zinc/22/40/89/888224089.db2.gz HHFGZZQGVQGYTE-PHIMTYICSA-N 0 3 298.387 -1.493 20 0 CAADHN O=C(NCC1(O)CN(C[C@@H]2CCOC2)C1)c1ncn[nH]1 ZINC001380627373 888224814 /nfs/dbraw/zinc/22/48/14/888224814.db2.gz FBSKLCDBXQZEDL-VIFPVBQESA-N 0 3 281.316 -1.382 20 0 CAADHN O=C(NCC1(O)CN(C[C@@H]2CCOC2)C1)c1nc[nH]n1 ZINC001380627373 888224826 /nfs/dbraw/zinc/22/48/26/888224826.db2.gz FBSKLCDBXQZEDL-VIFPVBQESA-N 0 3 281.316 -1.382 20 0 CAADHN C[C@@]1(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)CCOC1 ZINC001380764500 888226230 /nfs/dbraw/zinc/22/62/30/888226230.db2.gz NINGEPWJRGHZAA-BXUZGUMPSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cn1ncnn1)C(N)=O ZINC001380763361 888226524 /nfs/dbraw/zinc/22/65/24/888226524.db2.gz IEZXISRVSOLFCC-QMMMGPOBSA-N 0 3 285.308 -3.043 20 0 CAADHN COCC1(C(=O)N(CCO)CCN[C@H]2CCNC2=O)CC1 ZINC001380763520 888227086 /nfs/dbraw/zinc/22/70/86/888227086.db2.gz JCTIPWBHEMKYJQ-NSHDSACASA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@]1(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)CCOC1 ZINC001380764504 888227179 /nfs/dbraw/zinc/22/71/79/888227179.db2.gz NINGEPWJRGHZAA-RISCZKNCSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cc1ccon1)C(N)=O ZINC001380764717 888227527 /nfs/dbraw/zinc/22/75/27/888227527.db2.gz JTXTZSDZDRTDDM-VIFPVBQESA-N 0 3 284.316 -1.499 20 0 CAADHN O=C(c1cccnc1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001380753427 888228359 /nfs/dbraw/zinc/22/83/59/888228359.db2.gz LJDRVNQSRBUSBP-GFCCVEGCSA-N 0 3 292.339 -1.006 20 0 CAADHN Cc1cnc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)cn1 ZINC001380753046 888228446 /nfs/dbraw/zinc/22/84/46/888228446.db2.gz IOCMSDRDUSORCC-SNVBAGLBSA-N 0 3 295.343 -1.317 20 0 CAADHN O=C(Cn1ncnn1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001380765497 888228587 /nfs/dbraw/zinc/22/85/87/888228587.db2.gz MEIUBFIRVWLEQY-SECBINFHSA-N 0 3 297.319 -3.028 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cocn1)C(N)=O ZINC001380764978 888228620 /nfs/dbraw/zinc/22/86/20/888228620.db2.gz METCPZRNGGZMDM-QMMMGPOBSA-N 0 3 270.289 -1.428 20 0 CAADHN O=C(c1cnns1)N(CCO)CCN[C@H]1CCNC1=O ZINC001380764918 888228795 /nfs/dbraw/zinc/22/87/95/888228795.db2.gz LQROXGHYJZGUOT-QMMMGPOBSA-N 0 3 299.356 -1.549 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cocn1)C(N)=O ZINC001380764969 888228917 /nfs/dbraw/zinc/22/89/17/888228917.db2.gz METCPZRNGGZMDM-MRVPVSSYSA-N 0 3 270.289 -1.428 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cc1ccon1)C(N)=O ZINC001380764713 888229028 /nfs/dbraw/zinc/22/90/28/888229028.db2.gz JTXTZSDZDRTDDM-SECBINFHSA-N 0 3 284.316 -1.499 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cncn1C)C(N)=O ZINC001380765514 888229541 /nfs/dbraw/zinc/22/95/41/888229541.db2.gz MJPHIZGGNFHMMC-JTQLQIEISA-N 0 3 297.359 -1.292 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H]1CCCO1)C(N)=O ZINC001380761662 888229727 /nfs/dbraw/zinc/22/97/27/888229727.db2.gz DIADQZMOUMGNOD-NXEZZACHSA-N 0 3 273.333 -1.550 20 0 CAADHN O=C([C@H]1[C@@H]2COC[C@@H]21)N(CCO)CCN[C@H]1CCNC1=O ZINC001380764379 888229812 /nfs/dbraw/zinc/22/98/12/888229812.db2.gz MJVXWWWKTBVTEA-WHOHXGKFSA-N 0 3 297.355 -1.822 20 0 CAADHN Cc1nnc(CC(=O)N(CCO)CCN[C@H](C)C(N)=O)o1 ZINC001380767404 888230920 /nfs/dbraw/zinc/23/09/20/888230920.db2.gz QIVOFPGIFJGMEI-MRVPVSSYSA-N 0 3 299.331 -1.795 20 0 CAADHN CC(=O)N1CC(C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001380861054 888231263 /nfs/dbraw/zinc/23/12/63/888231263.db2.gz QDWWOLUNDDRPCD-UHFFFAOYSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CNC(=O)NC)CCC1 ZINC001380859829 888231524 /nfs/dbraw/zinc/23/15/24/888231524.db2.gz RTVOWUQOGNTKEP-UHFFFAOYSA-N 0 3 285.348 -1.710 20 0 CAADHN O=C(c1cnsn1)N(CCO)CCN[C@H]1CCNC1=O ZINC001380769357 888231803 /nfs/dbraw/zinc/23/18/03/888231803.db2.gz TVESUZIEAAELDX-QMMMGPOBSA-N 0 3 299.356 -1.549 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cccn1C)C(N)=O ZINC001380770619 888231831 /nfs/dbraw/zinc/23/18/31/888231831.db2.gz WVCQREMVMHWWCG-JTQLQIEISA-N 0 3 282.344 -1.077 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001380837988 888232133 /nfs/dbraw/zinc/23/21/33/888232133.db2.gz IYBJDBKJGNCRRT-MXWKQRLJSA-N 0 3 296.371 -1.176 20 0 CAADHN Cc1nnc(CC(=O)N(CCO)CCN[C@@H](C)C(N)=O)o1 ZINC001380767407 888232215 /nfs/dbraw/zinc/23/22/15/888232215.db2.gz QIVOFPGIFJGMEI-QMMMGPOBSA-N 0 3 299.331 -1.795 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CCNC(=O)C2)CCC1 ZINC001380858222 888232351 /nfs/dbraw/zinc/23/23/51/888232351.db2.gz PXXUPAVXZSZDHO-VIFPVBQESA-N 0 3 282.344 -1.374 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)CS(C)(=O)=O)C(N)=O ZINC001380768063 888232672 /nfs/dbraw/zinc/23/26/72/888232672.db2.gz QIYAHQQCWLPZCL-MRVPVSSYSA-N 0 3 295.361 -2.685 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1ccnnc1)C(N)=O ZINC001380768504 888232727 /nfs/dbraw/zinc/23/27/27/888232727.db2.gz YKSUVNJZKUJSQW-LLVKDONJSA-N 0 3 295.343 -1.235 20 0 CAADHN O=C(C1=COCCC1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001380770404 888233080 /nfs/dbraw/zinc/23/30/80/888233080.db2.gz VRLQSPYHKIPNTO-GFCCVEGCSA-N 0 3 297.355 -1.020 20 0 CAADHN NC(=O)NC(=O)CNC1(CNC(=O)[C@H]2CCCO2)CCC1 ZINC001380845292 888233472 /nfs/dbraw/zinc/23/34/72/888233472.db2.gz XFGCXSDSSUFCAH-SECBINFHSA-N 0 3 298.343 -1.011 20 0 CAADHN CO[C@@H](C(=O)N1CCO[C@@H](CNCC(N)=O)C1)C1CC1 ZINC001380906579 888234305 /nfs/dbraw/zinc/23/43/05/888234305.db2.gz WWUSJAJPWDMXOF-CMPLNLGQSA-N 0 3 285.344 -1.286 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001380918851 888234509 /nfs/dbraw/zinc/23/45/09/888234509.db2.gz QRAAVUCOMCXXCU-MRVPVSSYSA-N 0 3 299.306 -1.275 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001380898667 888234659 /nfs/dbraw/zinc/23/46/59/888234659.db2.gz AJKACBOKCBOKAB-GHMZBOCLSA-N 0 3 285.344 -1.414 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001380921262 888234770 /nfs/dbraw/zinc/23/47/70/888234770.db2.gz WPJAXPHALXDDIU-VIFPVBQESA-N 0 3 279.300 -1.608 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001380913524 888235125 /nfs/dbraw/zinc/23/51/25/888235125.db2.gz JVKLLKIDRWERGR-VIFPVBQESA-N 0 3 297.315 -1.364 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001380899693 888235407 /nfs/dbraw/zinc/23/54/07/888235407.db2.gz BTBIKXUPLMEJCT-JTQLQIEISA-N 0 3 295.343 -1.403 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001380900073 888235549 /nfs/dbraw/zinc/23/55/49/888235549.db2.gz XKDZJCKTSTWMCY-QWRGUYRKSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2nnn(C)n2)CCO1)C(N)=O ZINC001380911556 888235922 /nfs/dbraw/zinc/23/59/22/888235922.db2.gz GNWRWMNDGSYZBT-YUMQZZPRSA-N 0 3 297.319 -2.486 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001380918853 888235986 /nfs/dbraw/zinc/23/59/86/888235986.db2.gz QRAAVUCOMCXXCU-QMMMGPOBSA-N 0 3 299.306 -1.275 20 0 CAADHN CO[C@@H](C)C(=O)N1CCO[C@H](CNCC(=O)N(C)C)C1 ZINC001380902006 888236115 /nfs/dbraw/zinc/23/61/15/888236115.db2.gz JEGFPYMPHGPPPO-WDEREUQCSA-N 0 3 287.360 -1.074 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)C2(COC)CC2)CCO1 ZINC001380914033 888236147 /nfs/dbraw/zinc/23/61/47/888236147.db2.gz NYOUDMKBYOCICY-NSHDSACASA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)C2(COC)CC2)CCO1 ZINC001380914029 888236283 /nfs/dbraw/zinc/23/62/83/888236283.db2.gz NYOUDMKBYOCICY-LLVKDONJSA-N 0 3 299.371 -1.024 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001380907733 888236319 /nfs/dbraw/zinc/23/63/19/888236319.db2.gz AJHXLQRNFBTJBN-VIFPVBQESA-N 0 3 296.331 -1.677 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCO1 ZINC001380908320 888237062 /nfs/dbraw/zinc/23/70/62/888237062.db2.gz JLHZYPCOUKOBKH-CWSCBRNRSA-N 0 3 283.328 -1.675 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001380899349 888237263 /nfs/dbraw/zinc/23/72/63/888237263.db2.gz QFBCBULGTRVGTG-LLVKDONJSA-N 0 3 298.387 -1.179 20 0 CAADHN CCN1CCO[C@H](C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001380899350 888237546 /nfs/dbraw/zinc/23/75/46/888237546.db2.gz QFBCBULGTRVGTG-NSHDSACASA-N 0 3 298.387 -1.179 20 0 CAADHN COCC(=O)N1CCO[C@H](CNCC(=O)NCC2CC2)C1 ZINC001380898130 888237574 /nfs/dbraw/zinc/23/75/74/888237574.db2.gz OLKGKITVWWVGTM-GFCCVEGCSA-N 0 3 299.371 -1.024 20 0 CAADHN Cc1n[nH]cc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001380922019 888237687 /nfs/dbraw/zinc/23/76/87/888237687.db2.gz XFFRAEMUWSNYRS-SECBINFHSA-N 0 3 281.316 -1.366 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001380900063 888237739 /nfs/dbraw/zinc/23/77/39/888237739.db2.gz XKDZJCKTSTWMCY-GHMZBOCLSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@@H](C(=O)N1CCO[C@H](CNCC(N)=O)C1)n1cccn1 ZINC001380905985 888237764 /nfs/dbraw/zinc/23/77/64/888237764.db2.gz XFCVXHOOXFTZMM-WDEREUQCSA-N 0 3 295.343 -1.254 20 0 CAADHN C[C@H](C(=O)N1CCO[C@@H](CNCC(N)=O)C1)n1cccn1 ZINC001380905983 888237863 /nfs/dbraw/zinc/23/78/63/888237863.db2.gz XFCVXHOOXFTZMM-MNOVXSKESA-N 0 3 295.343 -1.254 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)COCC2CC2)CCO1 ZINC001380904613 888237964 /nfs/dbraw/zinc/23/79/64/888237964.db2.gz PQPISABCXJTOTO-GFCCVEGCSA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001380921258 888237995 /nfs/dbraw/zinc/23/79/95/888237995.db2.gz WPJAXPHALXDDIU-SECBINFHSA-N 0 3 279.300 -1.608 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 ZINC001380877450 888238202 /nfs/dbraw/zinc/23/82/02/888238202.db2.gz AIBJIZSTIQSAEV-BDAKNGLRSA-N 0 3 282.344 -1.518 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O ZINC001382060358 888275006 /nfs/dbraw/zinc/27/50/06/888275006.db2.gz WMRQQVYXILLGQO-BDAKNGLRSA-N 0 3 272.349 -1.225 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001380971814 888239717 /nfs/dbraw/zinc/23/97/17/888239717.db2.gz NIMGVLZPDXWJEV-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001380971516 888240924 /nfs/dbraw/zinc/24/09/24/888240924.db2.gz NIMGVLZPDXWJEV-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1NCC(N)=O ZINC001381094813 888242960 /nfs/dbraw/zinc/24/29/60/888242960.db2.gz CMEXXHPERDHWKG-SCZZXKLOSA-N 0 3 282.344 -1.566 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@H](NCC(=O)N(C)C)[C@@H](C)C1 ZINC001381095222 888243306 /nfs/dbraw/zinc/24/33/06/888243306.db2.gz FLNLTTDXJFGCJZ-JQWIXIFHSA-N 0 3 298.387 -1.011 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(=O)N2CCC2)[C@@H](C)C1 ZINC001381111061 888243539 /nfs/dbraw/zinc/24/35/39/888243539.db2.gz WKOMVCDTGVZEOJ-JQWIXIFHSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N2CCC2)C1 ZINC001381111063 888243572 /nfs/dbraw/zinc/24/35/72/888243572.db2.gz WKOMVCDTGVZEOJ-PWSUYJOCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1NCC(=O)NC(N)=O ZINC001381095707 888243618 /nfs/dbraw/zinc/24/36/18/888243618.db2.gz HYYSKTTUHXUGCU-JGVFFNPUSA-N 0 3 294.315 -1.345 20 0 CAADHN C[C@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001381115231 888243737 /nfs/dbraw/zinc/24/37/37/888243737.db2.gz NBCCKYXXIADCFU-DTWKUNHWSA-N 0 3 280.332 -1.057 20 0 CAADHN C[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1NCC(=O)NC(N)=O ZINC001381095744 888243867 /nfs/dbraw/zinc/24/38/67/888243867.db2.gz HYYSKTTUHXUGCU-YUMQZZPRSA-N 0 3 294.315 -1.345 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC001381144691 888244279 /nfs/dbraw/zinc/24/42/79/888244279.db2.gz FXXMIXIHUYNPCQ-UHFFFAOYSA-N 0 3 295.343 -1.619 20 0 CAADHN C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCC(=O)N(C)C ZINC001381116825 888244750 /nfs/dbraw/zinc/24/47/50/888244750.db2.gz QPAVQVBLKAGLEO-GXSJLCMTSA-N 0 3 294.359 -1.047 20 0 CAADHN C[C@H]1CN(C(=O)c2cocn2)C[C@@H]1NCC(=O)NC(N)=O ZINC001381099155 888244872 /nfs/dbraw/zinc/24/48/72/888244872.db2.gz XOAWUXCFXSQZAB-YUMQZZPRSA-N 0 3 295.299 -1.080 20 0 CAADHN C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1NCC(=O)N(C)C ZINC001381116830 888245369 /nfs/dbraw/zinc/24/53/69/888245369.db2.gz QPAVQVBLKAGLEO-ONGXEEELSA-N 0 3 294.359 -1.047 20 0 CAADHN CNC(=O)[C@@H](C)NCC1(O)CCN(C(=O)COC)CC1 ZINC001381137805 888245937 /nfs/dbraw/zinc/24/59/37/888245937.db2.gz PAWUNIKGIIZROD-SNVBAGLBSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1NCC(=O)N(C)C ZINC001381122633 888246198 /nfs/dbraw/zinc/24/61/98/888246198.db2.gz IFXRVMLDVFXEEE-WDEREUQCSA-N 0 3 294.359 -1.197 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001381269250 888246587 /nfs/dbraw/zinc/24/65/87/888246587.db2.gz LNPDOOFHOOHWEM-MNOVXSKESA-N 0 3 296.371 -1.031 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC1(CO)CCN(CCO)CC1 ZINC001381236224 888246942 /nfs/dbraw/zinc/24/69/42/888246942.db2.gz GTRZBVXSDORVNM-JTQLQIEISA-N 0 3 287.360 -1.554 20 0 CAADHN COC[C@H](OC)C(=O)NC1(CO)CCN(CCO)CC1 ZINC001381265004 888248155 /nfs/dbraw/zinc/24/81/55/888248155.db2.gz WEVFDHPUHYZEFB-NSHDSACASA-N 0 3 290.360 -1.417 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)CNC(=O)NC ZINC001381269550 888248458 /nfs/dbraw/zinc/24/84/58/888248458.db2.gz OWPYOPKMJYBEGQ-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)NCC(=O)N1CCCC[C@H]1CN[C@H](C)C(N)=O ZINC001381269535 888248906 /nfs/dbraw/zinc/24/89/06/888248906.db2.gz NSTIYDNWWLSOBM-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN Nc1nccnc1C(=O)NC1(CO)CCN(CCO)CC1 ZINC001381245870 888249434 /nfs/dbraw/zinc/24/94/34/888249434.db2.gz DSVUTWHHSPNZNA-UHFFFAOYSA-N 0 3 295.343 -1.392 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001381272350 888249653 /nfs/dbraw/zinc/24/96/53/888249653.db2.gz KWJMKFKAULUWKW-VIFPVBQESA-N 0 3 295.347 -1.460 20 0 CAADHN Cn1ncc(C(=O)N2CCCC[C@H]2CNCC(N)=O)n1 ZINC001381275870 888249985 /nfs/dbraw/zinc/24/99/85/888249985.db2.gz NXIAWLSBUCCNTM-VIFPVBQESA-N 0 3 280.332 -1.115 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC1(CO)CCN(CCO)CC1 ZINC001381236225 888250016 /nfs/dbraw/zinc/25/00/16/888250016.db2.gz GTRZBVXSDORVNM-SNVBAGLBSA-N 0 3 287.360 -1.554 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)CC(C)(C)O ZINC001381356784 888250651 /nfs/dbraw/zinc/25/06/51/888250651.db2.gz AVWFCBJDUIFTMP-YUMQZZPRSA-N 0 3 288.348 -1.175 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@H](C)NC(=O)COC ZINC001381354056 888251590 /nfs/dbraw/zinc/25/15/90/888251590.db2.gz QLPOFXSXYKGEAX-SFYZADRCSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cncn1C ZINC001381407786 888252143 /nfs/dbraw/zinc/25/21/43/888252143.db2.gz NVUIJLBRMYBTGC-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@H](C)NC(=O)c1ccn[nH]1 ZINC001381361769 888252246 /nfs/dbraw/zinc/25/22/46/888252246.db2.gz UHPXCJODKIZTEB-SFYZADRCSA-N 0 3 296.331 -1.038 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001381361756 888252612 /nfs/dbraw/zinc/25/26/12/888252612.db2.gz UHPXCJODKIZTEB-HTQZYQBOSA-N 0 3 296.331 -1.038 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1ccn[nH]1 ZINC001381361773 888253047 /nfs/dbraw/zinc/25/30/47/888253047.db2.gz UHPXCJODKIZTEB-YUMQZZPRSA-N 0 3 296.331 -1.038 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1nnc[n-]1 ZINC001381354102 888253119 /nfs/dbraw/zinc/25/31/19/888253119.db2.gz BWVZKHJTPSNDLA-DTWKUNHWSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1ccnnc1 ZINC001381437684 888253270 /nfs/dbraw/zinc/25/32/70/888253270.db2.gz QFMIXQKHBWEYFE-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)Cn1ncnn1 ZINC001381378807 888253365 /nfs/dbraw/zinc/25/33/65/888253365.db2.gz NJCQCIZMXDPTDB-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC ZINC001381363058 888253572 /nfs/dbraw/zinc/25/35/72/888253572.db2.gz GMGGIRLROFWMEH-DTWKUNHWSA-N 0 3 272.349 -1.259 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001381373682 888253649 /nfs/dbraw/zinc/25/36/49/888253649.db2.gz MHSQPZGINCJXQJ-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1nnc[n-]1 ZINC001381354109 888253854 /nfs/dbraw/zinc/25/38/54/888253854.db2.gz BWVZKHJTPSNDLA-IUCAKERBSA-N 0 3 282.348 -1.034 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001381401667 888254125 /nfs/dbraw/zinc/25/41/25/888254125.db2.gz PYPGJPOXSSMMFF-NXEZZACHSA-N 0 3 299.375 -2.353 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)c1ncn(C)n1 ZINC001381516923 888254822 /nfs/dbraw/zinc/25/48/22/888254822.db2.gz PXPSQNYFMJRJEU-UWVGGRQHSA-N 0 3 285.348 -1.128 20 0 CAADHN CCCC[C@H](CNCC(N)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001381742494 888266701 /nfs/dbraw/zinc/26/67/01/888266701.db2.gz HSLAARLUKJUQMF-BDAKNGLRSA-N 0 3 286.332 -1.155 20 0 CAADHN COCCN1CC([C@H](C)NC(=O)CN2CCOCC2=O)C1 ZINC001381783511 888267573 /nfs/dbraw/zinc/26/75/73/888267573.db2.gz FNAXGAHSAJTILR-NSHDSACASA-N 0 3 299.371 -1.072 20 0 CAADHN CCCC[C@H](CNCC(N)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001381742499 888267391 /nfs/dbraw/zinc/26/73/91/888267391.db2.gz HSLAARLUKJUQMF-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)COC)CCO1 ZINC001381924909 888269829 /nfs/dbraw/zinc/26/98/29/888269829.db2.gz HQZGRNIGYAEHFD-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001381925403 888270199 /nfs/dbraw/zinc/27/01/99/888270199.db2.gz HSHISGLVLSFHPL-VHSXEESVSA-N 0 3 293.327 -1.219 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCO[C@@H]([C@H](C)NCC(N)=O)C1 ZINC001381926053 888270524 /nfs/dbraw/zinc/27/05/24/888270524.db2.gz HXMSCAZIXPTAMB-IONNQARKSA-N 0 3 296.331 -1.582 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)NCC(N)=O ZINC001382091420 888273124 /nfs/dbraw/zinc/27/31/24/888273124.db2.gz UQVRWYAQBXEDDB-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCO[C@@H]([C@@H](C)NCC(N)=O)C1 ZINC001381926055 888271665 /nfs/dbraw/zinc/27/16/65/888271665.db2.gz HXMSCAZIXPTAMB-VXNVDRBHSA-N 0 3 296.331 -1.582 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCO[C@H]([C@H](C)NCC(N)=O)C1 ZINC001381926049 888271927 /nfs/dbraw/zinc/27/19/27/888271927.db2.gz HXMSCAZIXPTAMB-CBAPKCEASA-N 0 3 296.331 -1.582 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2nnc[n-]2)C1 ZINC001381956693 888272060 /nfs/dbraw/zinc/27/20/60/888272060.db2.gz WATLWFDWBHCZTN-KYZUINATSA-N 0 3 280.332 -1.293 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H]1CCNC1=O ZINC001382044273 888273463 /nfs/dbraw/zinc/27/34/63/888273463.db2.gz SIMYWPLBFHFHJH-PSASIEDQSA-N 0 3 270.333 -1.553 20 0 CAADHN CN(C(=O)C[C@@H]1CCNC1=O)[C@@H](CNCC(N)=O)C1CC1 ZINC001382022535 888273604 /nfs/dbraw/zinc/27/36/04/888273604.db2.gz XTPCEIZFXIIBMR-QWRGUYRKSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](CN(C)C(=O)Cc1ccon1)NCC(=O)NC(N)=O ZINC001382054038 888273742 /nfs/dbraw/zinc/27/37/42/888273742.db2.gz DYAQUMIUHCYIJC-QMMMGPOBSA-N 0 3 297.315 -1.152 20 0 CAADHN CN(C(=O)[C@H]1CCC(=O)N1C)[C@H](CNCC(N)=O)C1CC1 ZINC001382022111 888274052 /nfs/dbraw/zinc/27/40/52/888274052.db2.gz WFHZNUBKBZYIQZ-GHMZBOCLSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](CN(C)C(=O)Cc1ccon1)NCC(=O)NC(N)=O ZINC001382054036 888274456 /nfs/dbraw/zinc/27/44/56/888274456.db2.gz DYAQUMIUHCYIJC-MRVPVSSYSA-N 0 3 297.315 -1.152 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001381986228 888274898 /nfs/dbraw/zinc/27/48/98/888274898.db2.gz VMVFZKCBQAUDIY-MNOVXSKESA-N 0 3 296.371 -1.223 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H]1CCNC1=O ZINC001382044275 888275123 /nfs/dbraw/zinc/27/51/23/888275123.db2.gz SIMYWPLBFHFHJH-SCZZXKLOSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001382064995 888275188 /nfs/dbraw/zinc/27/51/88/888275188.db2.gz HYGQUCILVKHCRC-IUCAKERBSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001382009046 888275250 /nfs/dbraw/zinc/27/52/50/888275250.db2.gz CWTIWCWSMBBGQS-IONNQARKSA-N 0 3 285.348 -1.645 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1ccnn1)N[C@H]1CCNC1=O ZINC001382075910 888275330 /nfs/dbraw/zinc/27/53/30/888275330.db2.gz VDADYJRHZNGMJI-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@H](C)NCC(=O)NC ZINC001382058997 888275500 /nfs/dbraw/zinc/27/55/00/888275500.db2.gz QNBJFALUZDULPU-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CN(C(=O)[C@H]1CCC(=O)N1C)[C@@H](CNCC(N)=O)C1CC1 ZINC001382022115 888275584 /nfs/dbraw/zinc/27/55/84/888275584.db2.gz WFHZNUBKBZYIQZ-MNOVXSKESA-N 0 3 296.371 -1.081 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001382045266 888275615 /nfs/dbraw/zinc/27/56/15/888275615.db2.gz UFGDDBMKQPNCIB-ZJUUUORDSA-N 0 3 297.359 -1.760 20 0 CAADHN CN(C(=O)CCn1cncn1)[C@H](CNCC(N)=O)C1CC1 ZINC001382008215 888275770 /nfs/dbraw/zinc/27/57/70/888275770.db2.gz CCBQRPHBXJPNTB-LLVKDONJSA-N 0 3 294.359 -1.020 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CCNC(=O)NC ZINC001382061868 888276181 /nfs/dbraw/zinc/27/61/81/888276181.db2.gz FEQWVLSGNXPHOU-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)NCC(N)=O ZINC001382091415 888276364 /nfs/dbraw/zinc/27/63/64/888276364.db2.gz UQVRWYAQBXEDDB-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)NCc1nc(=O)n(C)[nH]1 ZINC001382044857 888276586 /nfs/dbraw/zinc/27/65/86/888276586.db2.gz VNUNJEVBHPHURQ-MRVPVSSYSA-N 0 3 298.347 -1.819 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NCC(N)=O ZINC001382091358 888277004 /nfs/dbraw/zinc/27/70/04/888277004.db2.gz GDVAREBIRQVULS-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O ZINC001382060361 888277043 /nfs/dbraw/zinc/27/70/43/888277043.db2.gz WMRQQVYXILLGQO-RKDXNWHRSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)NCC(N)=O ZINC001382091428 888277108 /nfs/dbraw/zinc/27/71/08/888277108.db2.gz UQVRWYAQBXEDDB-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)N[C@H](C)C(N)=O ZINC001382102778 888277642 /nfs/dbraw/zinc/27/76/42/888277642.db2.gz QVIJOYCSUWZTHV-RKDXNWHRSA-N 0 3 298.347 -2.108 20 0 CAADHN O=C(CC1CC1)NC[C@@H](CO)NCCN1CCNC1=O ZINC001382169432 888279123 /nfs/dbraw/zinc/27/91/23/888279123.db2.gz RSHYHKWWWBPESX-NSHDSACASA-N 0 3 284.360 -1.122 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NCC(N)=O ZINC001382167174 888279317 /nfs/dbraw/zinc/27/93/17/888279317.db2.gz VUSGOXRIFNPEKL-BDAKNGLRSA-N 0 3 285.348 -1.549 20 0 CAADHN CCC(=O)NC[C@H](CO)NC[C@H](O)CN1CCCC1=O ZINC001382167379 888279377 /nfs/dbraw/zinc/27/93/77/888279377.db2.gz MHWGMKNQPIAVDX-MNOVXSKESA-N 0 3 287.360 -1.554 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NCC(N)=O ZINC001382162880 888279719 /nfs/dbraw/zinc/27/97/19/888279719.db2.gz GUDNRCMNLXYOTC-MRVPVSSYSA-N 0 3 283.332 -1.741 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](CO)NCCC(F)(F)F ZINC001382170252 888279983 /nfs/dbraw/zinc/27/99/83/888279983.db2.gz DYRJBOVQIAWSMZ-SSDOTTSWSA-N 0 3 296.253 -1.308 20 0 CAADHN CC(F)(F)C(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001382170696 888280305 /nfs/dbraw/zinc/28/03/05/888280305.db2.gz IVDYWKGTZRHSGD-QMMMGPOBSA-N 0 3 294.302 -1.267 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1cnnn1)NCC(=O)N(C)C ZINC001382135432 888280695 /nfs/dbraw/zinc/28/06/95/888280695.db2.gz DZLHTJMURKISSB-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN C[C@H](CN(C)C(=O)CCNC(N)=O)N[C@H]1CCN(C)C1=O ZINC001382158538 888281219 /nfs/dbraw/zinc/28/12/19/888281219.db2.gz JAJPJXHJPUCXMJ-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001382162345 888281757 /nfs/dbraw/zinc/28/17/57/888281757.db2.gz FPJBIEADGFAMEG-QMMMGPOBSA-N 0 3 279.362 -1.657 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](CO)NCCC(F)(F)F ZINC001382170260 888281633 /nfs/dbraw/zinc/28/16/33/888281633.db2.gz DYRJBOVQIAWSMZ-ZETCQYMHSA-N 0 3 296.253 -1.308 20 0 CAADHN COc1c(C(=O)N(C)C[C@@H](C)NCC(N)=O)cnn1C ZINC001382148945 888281974 /nfs/dbraw/zinc/28/19/74/888281974.db2.gz JQDYYIVMYHGIKV-MRVPVSSYSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NCC(N)=O ZINC001382167179 888282117 /nfs/dbraw/zinc/28/21/17/888282117.db2.gz VUSGOXRIFNPEKL-IUCAKERBSA-N 0 3 285.348 -1.549 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)c1ccc[nH]1 ZINC001382183622 888287904 /nfs/dbraw/zinc/28/79/04/888287904.db2.gz WJWJFMLVVTYHDE-JTQLQIEISA-N 0 3 295.343 -1.280 20 0 CAADHN CN(C)C(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCCN1C ZINC001382184207 888288887 /nfs/dbraw/zinc/28/88/87/888288887.db2.gz NJGHVLHDYPIHFT-QWRGUYRKSA-N 0 3 286.376 -1.765 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)c1ccc[nH]1 ZINC001382183629 888291738 /nfs/dbraw/zinc/29/17/38/888291738.db2.gz WJWJFMLVVTYHDE-SNVBAGLBSA-N 0 3 295.343 -1.280 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)C1=CCOCC1 ZINC001382202750 888299064 /nfs/dbraw/zinc/29/90/64/888299064.db2.gz XTQOKXTZTGPGQN-GFCCVEGCSA-N 0 3 295.343 -1.309 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCCC1=O)c1cnco1 ZINC001382235259 888307650 /nfs/dbraw/zinc/30/76/50/888307650.db2.gz KDJOAFNQDUGJLT-JTQLQIEISA-N 0 3 296.327 -1.023 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCCC1=O)c1cnco1 ZINC001382235262 888310836 /nfs/dbraw/zinc/31/08/36/888310836.db2.gz KDJOAFNQDUGJLT-SNVBAGLBSA-N 0 3 296.327 -1.023 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O ZINC001382240172 888311917 /nfs/dbraw/zinc/31/19/17/888311917.db2.gz QTQNKOAANRFOJZ-VXNVDRBHSA-N 0 3 284.316 -1.448 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001382453129 888361952 /nfs/dbraw/zinc/36/19/52/888361952.db2.gz VLHBFSZTCJKHIO-NSHDSACASA-N 0 3 275.349 -1.792 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1cnco1 ZINC001382245032 888314990 /nfs/dbraw/zinc/31/49/90/888314990.db2.gz ZCVJYRFTZJHSFN-VIFPVBQESA-N 0 3 280.288 -1.353 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)Cn1ccnc1C ZINC001382276767 888323209 /nfs/dbraw/zinc/32/32/09/888323209.db2.gz XRCMPFDWRLEVPZ-KOLCDFICSA-N 0 3 297.359 -1.607 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)Cn1ccnc1C ZINC001382276769 888325937 /nfs/dbraw/zinc/32/59/37/888325937.db2.gz XRCMPFDWRLEVPZ-ONGXEEELSA-N 0 3 297.359 -1.607 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CNC(=O)NC)C1 ZINC001382289425 888327254 /nfs/dbraw/zinc/32/72/54/888327254.db2.gz DVPPPBVBJGXUGV-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001382281221 888329107 /nfs/dbraw/zinc/32/91/07/888329107.db2.gz AZZWXFYCIZQUGT-JQWIXIFHSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H]1C ZINC001382280067 888329498 /nfs/dbraw/zinc/32/94/98/888329498.db2.gz HCVAMVTZTCDQES-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(=O)NC2CC2)C[C@@H]1C ZINC001382308080 888331206 /nfs/dbraw/zinc/33/12/06/888331206.db2.gz NGCCZNQVSBPCAW-JOYOIKCWSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001382305350 888331425 /nfs/dbraw/zinc/33/14/25/888331425.db2.gz YVPXMSMCSKVBPW-KOLCDFICSA-N 0 3 296.371 -1.081 20 0 CAADHN COCCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@H]1C ZINC001382294849 888331672 /nfs/dbraw/zinc/33/16/72/888331672.db2.gz YFPGVMBPCLGILB-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2cn(C)nn2)C1 ZINC001382311713 888332658 /nfs/dbraw/zinc/33/26/58/888332658.db2.gz YPDDUZPEXDLYOR-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(=O)NC2CC2)C[C@H]1C ZINC001382308065 888332692 /nfs/dbraw/zinc/33/26/92/888332692.db2.gz NGCCZNQVSBPCAW-BXKDBHETSA-N 0 3 296.371 -1.020 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001382316238 888332822 /nfs/dbraw/zinc/33/28/22/888332822.db2.gz RCNVCHGCTMRGDA-SFYZADRCSA-N 0 3 292.361 -2.400 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001382316236 888333223 /nfs/dbraw/zinc/33/32/23/888333223.db2.gz RCNVCHGCTMRGDA-JGVFFNPUSA-N 0 3 292.361 -2.400 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001382305348 888333257 /nfs/dbraw/zinc/33/32/57/888333257.db2.gz YVPXMSMCSKVBPW-GXSJLCMTSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CCNC(N)=O ZINC001382305982 888333551 /nfs/dbraw/zinc/33/35/51/888333551.db2.gz PYNLEIXTQXJTSW-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCNC(N)=O)C1 ZINC001382319965 888333675 /nfs/dbraw/zinc/33/36/75/888333675.db2.gz WOSYXFNHTWBXRP-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2cn(C)nn2)C1 ZINC001382311708 888333931 /nfs/dbraw/zinc/33/39/31/888333931.db2.gz YPDDUZPEXDLYOR-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C[C@H]1C ZINC001382308091 888333969 /nfs/dbraw/zinc/33/39/69/888333969.db2.gz NGCCZNQVSBPCAW-SKDRFNHKSA-N 0 3 296.371 -1.020 20 0 CAADHN Cc1c(C(=O)N(C)C[C@@H](O)CNCC(N)=O)cnn1C ZINC001382386649 888342118 /nfs/dbraw/zinc/34/21/18/888342118.db2.gz MEJBWSKNBDIWBZ-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001382387476 888342148 /nfs/dbraw/zinc/34/21/48/888342148.db2.gz KWRKJTLEXQLZGH-SCZZXKLOSA-N 0 3 288.348 -2.253 20 0 CAADHN CO[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)NC1CC1 ZINC001382385317 888342054 /nfs/dbraw/zinc/34/20/54/888342054.db2.gz HLUZXYBCQXKJQJ-KOLCDFICSA-N 0 3 287.360 -1.291 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C1CC1 ZINC001382386848 888342210 /nfs/dbraw/zinc/34/22/10/888342210.db2.gz QSCFQYVNZMFUCC-NSHDSACASA-N 0 3 287.360 -1.338 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001382387484 888342260 /nfs/dbraw/zinc/34/22/60/888342260.db2.gz KWRKJTLEXQLZGH-WPRPVWTQSA-N 0 3 288.348 -2.253 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CN(C)CCO1 ZINC001382378463 888342447 /nfs/dbraw/zinc/34/24/47/888342447.db2.gz BTXFVDFGIKEBQV-VHSXEESVSA-N 0 3 288.348 -2.789 20 0 CAADHN Cc1nn(C)cc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001382387166 888342900 /nfs/dbraw/zinc/34/29/00/888342900.db2.gz PBHLLRWUYYUFHG-VHSXEESVSA-N 0 3 297.359 -1.375 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](O)CNCc1cnn(C)c1 ZINC001382380775 888343050 /nfs/dbraw/zinc/34/30/50/888343050.db2.gz QJZXSPXOBZDYEJ-LBPRGKRZSA-N 0 3 297.359 -1.535 20 0 CAADHN Cc1ocnc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001382390536 888343496 /nfs/dbraw/zinc/34/34/96/888343496.db2.gz QHDWEQPYOLVPOV-IONNQARKSA-N 0 3 284.316 -1.121 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccc[nH]1 ZINC001382380503 888344142 /nfs/dbraw/zinc/34/41/42/888344142.db2.gz AXWNRNZGKMORSC-NXEZZACHSA-N 0 3 280.328 -1.074 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccccn1 ZINC001382379697 888344178 /nfs/dbraw/zinc/34/41/78/888344178.db2.gz YGFCFSRHRXNALU-JTQLQIEISA-N 0 3 280.328 -1.150 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C1=CCOCC1 ZINC001382388078 888344292 /nfs/dbraw/zinc/34/42/92/888344292.db2.gz OHVWUHMHINCHCS-NSHDSACASA-N 0 3 285.344 -1.512 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)CC(C)(C)O ZINC001382388233 888344438 /nfs/dbraw/zinc/34/44/38/888344438.db2.gz FCCLJZVHHQQLSW-SNVBAGLBSA-N 0 3 289.376 -1.356 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001382381491 888344497 /nfs/dbraw/zinc/34/44/97/888344497.db2.gz RSNOVTRALWCGDV-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccc[nH]1 ZINC001382380505 888344542 /nfs/dbraw/zinc/34/45/42/888344542.db2.gz AXWNRNZGKMORSC-VHSXEESVSA-N 0 3 280.328 -1.074 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001382390792 888344562 /nfs/dbraw/zinc/34/45/62/888344562.db2.gz VFBOEOLTIXMWBZ-NSHDSACASA-N 0 3 295.343 -1.413 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001382383763 888344582 /nfs/dbraw/zinc/34/45/82/888344582.db2.gz MJGODUHRVGNDJB-UWVGGRQHSA-N 0 3 275.349 -1.482 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)COC(C)(C)C ZINC001382383355 888344626 /nfs/dbraw/zinc/34/46/26/888344626.db2.gz GPNOJUJKVVTBMM-VIFPVBQESA-N 0 3 275.349 -1.304 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001382388868 888344757 /nfs/dbraw/zinc/34/47/57/888344757.db2.gz TYEQBHMFXIDIQK-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN CO[C@H](C)CC(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001382389437 888345653 /nfs/dbraw/zinc/34/56/53/888345653.db2.gz OBAFYPWYZLBCRH-GHMZBOCLSA-N 0 3 289.376 -1.092 20 0 CAADHN Cc1nn(C)cc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001382387163 888345476 /nfs/dbraw/zinc/34/54/76/888345476.db2.gz PBHLLRWUYYUFHG-NXEZZACHSA-N 0 3 297.359 -1.375 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC001382386872 888345929 /nfs/dbraw/zinc/34/59/29/888345929.db2.gz JLPKCCOCDJFTLF-GHMZBOCLSA-N 0 3 297.359 -1.401 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC001382386889 888346179 /nfs/dbraw/zinc/34/61/79/888346179.db2.gz JLPKCCOCDJFTLF-QWRGUYRKSA-N 0 3 297.359 -1.401 20 0 CAADHN CO[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)NC1CC1 ZINC001382385316 888346203 /nfs/dbraw/zinc/34/62/03/888346203.db2.gz HLUZXYBCQXKJQJ-GXSJLCMTSA-N 0 3 287.360 -1.291 20 0 CAADHN CCn1nccc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001382394278 888347000 /nfs/dbraw/zinc/34/70/00/888347000.db2.gz ZXJCLKPRBVAYCH-SECBINFHSA-N 0 3 283.332 -1.589 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)c1cnco1 ZINC001382409507 888348334 /nfs/dbraw/zinc/34/83/34/888348334.db2.gz IRDMNFIBCCXSLR-SNVBAGLBSA-N 0 3 296.327 -1.024 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001382401912 888348600 /nfs/dbraw/zinc/34/86/00/888348600.db2.gz QGYRXFAXOZKVTB-SECBINFHSA-N 0 3 299.335 -2.782 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001382407222 888348758 /nfs/dbraw/zinc/34/87/58/888348758.db2.gz ATUGTBNUSXSWHG-NXEZZACHSA-N 0 3 295.343 -1.371 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001382394142 888348837 /nfs/dbraw/zinc/34/88/37/888348837.db2.gz BMJQUXLKYAQKGX-ZJUUUORDSA-N 0 3 297.359 -1.423 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001382404020 888349401 /nfs/dbraw/zinc/34/94/01/888349401.db2.gz VBWGKFKVXZIBJS-VIFPVBQESA-N 0 3 283.332 -1.811 20 0 CAADHN CC(C)C(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001382393428 888349614 /nfs/dbraw/zinc/34/96/14/888349614.db2.gz WPFMOMZNIMXXCZ-MRVPVSSYSA-N 0 3 274.321 -1.754 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001382401914 888349925 /nfs/dbraw/zinc/34/99/25/888349925.db2.gz QGYRXFAXOZKVTB-VIFPVBQESA-N 0 3 299.335 -2.782 20 0 CAADHN CCn1nccc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001382394295 888349994 /nfs/dbraw/zinc/34/99/94/888349994.db2.gz ZXJCLKPRBVAYCH-VIFPVBQESA-N 0 3 283.332 -1.589 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C1(COC)CC1 ZINC001382408586 888350108 /nfs/dbraw/zinc/35/01/08/888350108.db2.gz OVARTGFAZAKLBN-JTQLQIEISA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001382420935 888350739 /nfs/dbraw/zinc/35/07/39/888350739.db2.gz HIHPEYHGXZLJJR-DBIOUOCHSA-N 0 3 285.344 -1.552 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001382414899 888351307 /nfs/dbraw/zinc/35/13/07/888351307.db2.gz IEELYQAMWARTBX-PREPNJAASA-N 0 3 299.371 -1.448 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CNC(=O)N1 ZINC001382416761 888351356 /nfs/dbraw/zinc/35/13/56/888351356.db2.gz VCHLSSGELJWEPM-NKWVEPMBSA-N 0 3 273.293 -3.438 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)CCn1ccnc1)C(N)=O ZINC001382415360 888352035 /nfs/dbraw/zinc/35/20/35/888352035.db2.gz VGQPPGUSOZLKHH-MNOVXSKESA-N 0 3 297.359 -1.444 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C1(C)CCOCC1 ZINC001382424340 888352341 /nfs/dbraw/zinc/35/23/41/888352341.db2.gz HCWVDNRHTYHVHO-JTQLQIEISA-N 0 3 287.360 -1.303 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CCC1(F)F ZINC001382414955 888352374 /nfs/dbraw/zinc/35/23/74/888352374.db2.gz JSBDDNFUSXIKAT-YUMQZZPRSA-N 0 3 279.287 -1.074 20 0 CAADHN Cc1noc(CCC(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001382417255 888352788 /nfs/dbraw/zinc/35/27/88/888352788.db2.gz ZYPOLDOXVVHXOH-SECBINFHSA-N 0 3 299.331 -1.795 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1cnco1 ZINC001382413688 888353249 /nfs/dbraw/zinc/35/32/49/888353249.db2.gz RTSFMIOVMCHEJO-VHSXEESVSA-N 0 3 296.327 -1.072 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCCNC1=O)C(=O)c1cnon1 ZINC001382424281 888353347 /nfs/dbraw/zinc/35/33/47/888353347.db2.gz GXWCQJGPFBFCTK-RKDXNWHRSA-N 0 3 297.315 -1.629 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001382416741 888353384 /nfs/dbraw/zinc/35/33/84/888353384.db2.gz VCHLSSGELJWEPM-BQBZGAKWSA-N 0 3 273.293 -3.438 20 0 CAADHN CCc1nn(C)cc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001382413901 888353922 /nfs/dbraw/zinc/35/39/22/888353922.db2.gz IPZSJHDMJNVVMN-SECBINFHSA-N 0 3 297.359 -1.510 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001382424509 888353810 /nfs/dbraw/zinc/35/38/10/888353810.db2.gz HWOTVNLWGLQLEP-UWVGGRQHSA-N 0 3 295.343 -1.366 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CC12CCOCC2 ZINC001382432731 888354842 /nfs/dbraw/zinc/35/48/42/888354842.db2.gz PQNHPNPJUGUAKR-GHMZBOCLSA-N 0 3 299.371 -1.303 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1ccn(C)n1)C(N)=O ZINC001382439961 888355770 /nfs/dbraw/zinc/35/57/70/888355770.db2.gz HIFIRNWCDYHIGV-IUCAKERBSA-N 0 3 283.332 -1.684 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1ccc[nH]1 ZINC001382438889 888356613 /nfs/dbraw/zinc/35/66/13/888356613.db2.gz FBLCPFSKGAKAKI-NSHDSACASA-N 0 3 282.344 -1.288 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001382448505 888356969 /nfs/dbraw/zinc/35/69/69/888356969.db2.gz XDQOBPWXKVMHQU-MRVPVSSYSA-N 0 3 274.346 -1.105 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cc1ncc[nH]1)C(N)=O ZINC001382430361 888357900 /nfs/dbraw/zinc/35/79/00/888357900.db2.gz ZMDNELOEEDLMMK-BDAKNGLRSA-N 0 3 283.332 -1.765 20 0 CAADHN Cc1conc1C(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001382435152 888358946 /nfs/dbraw/zinc/35/89/46/888358946.db2.gz QCDRCRWZANFPQZ-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ccn(C)n1)C(N)=O ZINC001382439957 888359092 /nfs/dbraw/zinc/35/90/92/888359092.db2.gz HIFIRNWCDYHIGV-DTWKUNHWSA-N 0 3 283.332 -1.684 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)CO[C@@H]1CCOC1 ZINC001382463422 888360364 /nfs/dbraw/zinc/36/03/64/888360364.db2.gz NMNKAVMVULHXNS-VXGBXAGGSA-N 0 3 290.360 -1.465 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](O)CN(C)CCO)o1 ZINC001382462129 888360147 /nfs/dbraw/zinc/36/01/47/888360147.db2.gz LWVXYXYIWXAIDN-SNVBAGLBSA-N 0 3 286.332 -1.336 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001382477753 888362547 /nfs/dbraw/zinc/36/25/47/888362547.db2.gz YJQYMCOWQDWESV-JTQLQIEISA-N 0 3 286.336 -2.193 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@H](O)CN(C)CCO ZINC001382453126 888362751 /nfs/dbraw/zinc/36/27/51/888362751.db2.gz VLHBFSZTCJKHIO-LLVKDONJSA-N 0 3 275.349 -1.792 20 0 CAADHN Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CN(C)[C@H](C)C(N)=O ZINC001382479724 888364863 /nfs/dbraw/zinc/36/48/63/888364863.db2.gz WDTJWFYNOROPBW-BDAKNGLRSA-N 0 3 298.347 -1.648 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C(C)(C)C ZINC001382537468 888366356 /nfs/dbraw/zinc/36/63/56/888366356.db2.gz YERAZLMJRJTXEQ-UTLUCORTSA-N 0 3 298.387 -1.026 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001382482706 888366930 /nfs/dbraw/zinc/36/69/30/888366930.db2.gz USQCPYBZDPGSCA-SNVBAGLBSA-N 0 3 270.333 -1.223 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)c1nnn(C)n1)C(C)(C)C ZINC001382518320 888367654 /nfs/dbraw/zinc/36/76/54/888367654.db2.gz IAHTVOBYAUARGB-QMMMGPOBSA-N 0 3 297.363 -1.310 20 0 CAADHN COCCN(CCNC(=O)c1nnn(C)n1)C[C@@H](C)O ZINC001382582730 888374657 /nfs/dbraw/zinc/37/46/57/888374657.db2.gz ZUDKLRMIVFCRJQ-SECBINFHSA-N 0 3 286.336 -1.731 20 0 CAADHN CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c1ncc[nH]1)N(C)C ZINC001383916061 888405228 /nfs/dbraw/zinc/40/52/28/888405228.db2.gz XYENDJLBSLNSST-NXEZZACHSA-N 0 3 297.359 -1.043 20 0 CAADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001384805874 888433309 /nfs/dbraw/zinc/43/33/09/888433309.db2.gz RVJHXLBYFUXDEK-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001385136430 888437556 /nfs/dbraw/zinc/43/75/56/888437556.db2.gz XSBNXBJFPLERDU-NEPJUHHUSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001385833628 888446527 /nfs/dbraw/zinc/44/65/27/888446527.db2.gz XSBNXBJFPLERDU-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C1)N(C)C ZINC001385703409 888446558 /nfs/dbraw/zinc/44/65/58/888446558.db2.gz OKWJZVLGKVEWOT-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CCCN(C)CC(=O)N[C@H](C)CNC(=O)Cn1cnnn1 ZINC001386158349 888451126 /nfs/dbraw/zinc/45/11/26/888451126.db2.gz KDEQHDJROQFGFH-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)CNC(N)=O ZINC001386495707 888463056 /nfs/dbraw/zinc/46/30/56/888463056.db2.gz LZBSGMXVWQVOKA-NXEZZACHSA-N 0 3 299.375 -1.383 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001386808461 888471637 /nfs/dbraw/zinc/47/16/37/888471637.db2.gz FSHNPLMLHOVDCA-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CCCN(C)CC(=O)N[C@H](C)CNC(=O)Cn1ncnn1 ZINC001386808463 888472119 /nfs/dbraw/zinc/47/21/19/888472119.db2.gz FSHNPLMLHOVDCA-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001386993176 888477545 /nfs/dbraw/zinc/47/75/45/888477545.db2.gz CACKBLUMXOVUJO-VIFPVBQESA-N 0 3 297.363 -1.214 20 0 CAADHN CC[C@H](C(=O)NCCN(C)C(=O)Cn1ncnn1)N(C)C ZINC001387011639 888478071 /nfs/dbraw/zinc/47/80/71/888478071.db2.gz BBWWRLJTKZHGCH-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)[C@H]1CCCN1C ZINC001387106963 888481852 /nfs/dbraw/zinc/48/18/52/888481852.db2.gz CYTKBIVILZIKDJ-OUAUKWLOSA-N 0 3 296.371 -1.223 20 0 CAADHN CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)[C@@H]1CCCN1C ZINC001387710963 888491084 /nfs/dbraw/zinc/49/10/84/888491084.db2.gz LRITVRXZBVYQMF-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)CN1CCCC1 ZINC001387709507 888491177 /nfs/dbraw/zinc/49/11/77/888491177.db2.gz IMSVMTDOPDSJCB-SNVBAGLBSA-N 0 3 298.343 -1.235 20 0 CAADHN CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)CN1CCCC1 ZINC001387709504 888491550 /nfs/dbraw/zinc/49/15/50/888491550.db2.gz IMSVMTDOPDSJCB-JTQLQIEISA-N 0 3 298.343 -1.235 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)c2nnn(C)n2)C1)N(C)C ZINC001387758724 888492945 /nfs/dbraw/zinc/49/29/45/888492945.db2.gz XTQXCBHINCJBFX-SECBINFHSA-N 0 3 295.347 -1.509 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001387737174 888493580 /nfs/dbraw/zinc/49/35/80/888493580.db2.gz VIPNNIMKJQBVLE-MNOVXSKESA-N 0 3 296.371 -1.223 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC001387733260 888493826 /nfs/dbraw/zinc/49/38/26/888493826.db2.gz GTKTVKZKELOBJX-UHFFFAOYSA-N 0 3 295.347 -1.658 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1)N(C)C ZINC001387820127 888495377 /nfs/dbraw/zinc/49/53/77/888495377.db2.gz HJVMTNRGFXHCCR-ZJUUUORDSA-N 0 3 298.343 -1.238 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)[C@@H]1CCCN1C ZINC001387943283 888502111 /nfs/dbraw/zinc/50/21/11/888502111.db2.gz DEIKCBUYWFAFOW-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)CN1CCCC1 ZINC001387945035 888502391 /nfs/dbraw/zinc/50/23/91/888502391.db2.gz NBTWSMULNVWSFS-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CC[C@H](C(=O)N(C)CCNC(=O)c1nnn(C)n1)N(C)C ZINC001387979019 888503424 /nfs/dbraw/zinc/50/34/24/888503424.db2.gz ZVNXRKIQEZQSCZ-SECBINFHSA-N 0 3 297.363 -1.262 20 0 CAADHN O=C(c1cnon1)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001388780977 888511082 /nfs/dbraw/zinc/51/10/82/888511082.db2.gz UOJCKDKLACDGPD-SNVBAGLBSA-N 0 3 284.316 -1.039 20 0 CAADHN CC(=O)NCC(=O)NCC1CC(NCc2cnnn2C)C1 ZINC001388874642 888513854 /nfs/dbraw/zinc/51/38/54/888513854.db2.gz NMJWSFYPDTWXDE-UHFFFAOYSA-N 0 3 294.359 -1.064 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001389064622 888521631 /nfs/dbraw/zinc/52/16/31/888521631.db2.gz KPERIKDYKUYJNB-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001389064620 888522271 /nfs/dbraw/zinc/52/22/71/888522271.db2.gz KPERIKDYKUYJNB-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cc2nnc(C)o2)C1 ZINC001389145755 888529961 /nfs/dbraw/zinc/52/99/61/888529961.db2.gz SACQYCKOPNZRGL-SECBINFHSA-N 0 3 281.316 -1.143 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001389134032 888530473 /nfs/dbraw/zinc/53/04/73/888530473.db2.gz NXJHDEMVDCSGSO-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001389182298 888531443 /nfs/dbraw/zinc/53/14/43/888531443.db2.gz DDAWBEMQVJAELU-VIFPVBQESA-N 0 3 299.375 -1.288 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001389183440 888532734 /nfs/dbraw/zinc/53/27/34/888532734.db2.gz PUJSNHDXXWKQFG-SNVBAGLBSA-N 0 3 298.343 -1.236 20 0 CAADHN CC[C@H](C(=O)N[C@H](C)CNC(=O)CNC(N)=O)N(C)C ZINC001389220517 888535684 /nfs/dbraw/zinc/53/56/84/888535684.db2.gz QHNCCJZOEDEIKV-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN CC[C@H](C(=O)N[C@H](C)CNC(=O)Cn1ncnn1)N(C)C ZINC001389211907 888535971 /nfs/dbraw/zinc/53/59/71/888535971.db2.gz LOPBLNRUOKQDLW-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)[C@H](C)NC(N)=O)C1)N(C)C ZINC001389187085 888536092 /nfs/dbraw/zinc/53/60/92/888536092.db2.gz ZUBKJSTVQNUVFI-WPRPVWTQSA-N 0 3 299.375 -1.290 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)CNC(=O)NC)C1 ZINC001389220324 888536186 /nfs/dbraw/zinc/53/61/86/888536186.db2.gz JCSWZFOWPZQAAJ-UHFFFAOYSA-N 0 3 299.375 -1.416 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001389258645 888538434 /nfs/dbraw/zinc/53/84/34/888538434.db2.gz BSLRRYPQMVJXSK-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001389278405 888538773 /nfs/dbraw/zinc/53/87/73/888538773.db2.gz LAHDVAIZPIIUDZ-UTLUCORTSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001389342776 888541814 /nfs/dbraw/zinc/54/18/14/888541814.db2.gz MKIVGUDTLZLWHP-MWLCHTKSSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)c2nnn(C)n2)C1 ZINC001389364296 888541967 /nfs/dbraw/zinc/54/19/67/888541967.db2.gz LLPXRYTXOWMXJY-UHFFFAOYSA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001389342771 888542313 /nfs/dbraw/zinc/54/23/13/888542313.db2.gz MKIVGUDTLZLWHP-GXSJLCMTSA-N 0 3 296.371 -1.081 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001389370061 888542690 /nfs/dbraw/zinc/54/26/90/888542690.db2.gz SDKMQLIMRHAVHS-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](C)CNC(=O)CNC(N)=O ZINC001389452327 888549632 /nfs/dbraw/zinc/54/96/32/888549632.db2.gz FJLPCXJYKZTBSA-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](N[C@@H](C)C(N)=O)C1CC1 ZINC001389568101 888552800 /nfs/dbraw/zinc/55/28/00/888552800.db2.gz FIYFKCBZXWVQCQ-KWQFWETISA-N 0 3 284.360 -1.177 20 0 CAADHN Cc1c(C(=O)NC[C@@H](NCC(N)=O)C2CC2)nnn1C ZINC001389587704 888552753 /nfs/dbraw/zinc/55/27/53/888552753.db2.gz DBOSGQDBEVBFTO-SECBINFHSA-N 0 3 280.332 -1.293 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001389564361 888554177 /nfs/dbraw/zinc/55/41/77/888554177.db2.gz NJXSYEPVSBZUMK-QWRGUYRKSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CN1CCCC1=O)C1CC1 ZINC001389552040 888554299 /nfs/dbraw/zinc/55/42/99/888554299.db2.gz KCNWXKZCMFLHMT-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](NCC(=O)NC1CC1)C1CC1 ZINC001389548081 888554310 /nfs/dbraw/zinc/55/43/10/888554310.db2.gz DPSOOIMNZMTXAH-LBPRGKRZSA-N 0 3 296.371 -1.115 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)[C@H]1COCCO1)C1CC1 ZINC001389577217 888554417 /nfs/dbraw/zinc/55/44/17/888554417.db2.gz LOYVIFNKUHBYAV-VXGBXAGGSA-N 0 3 299.371 -1.026 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](N[C@@H](C)C(N)=O)C1CC1 ZINC001389568048 888555147 /nfs/dbraw/zinc/55/51/47/888555147.db2.gz FIYFKCBZXWVQCQ-GZMMTYOYSA-N 0 3 284.360 -1.177 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001389506143 888555218 /nfs/dbraw/zinc/55/52/18/888555218.db2.gz NAGVOZFRUDOPNY-UWVGGRQHSA-N 0 3 288.348 -1.757 20 0 CAADHN CCN1C[C@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)CC1=O ZINC001389604156 888556106 /nfs/dbraw/zinc/55/61/06/888556106.db2.gz BADLGMBMKMCXGN-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001389688042 888556985 /nfs/dbraw/zinc/55/69/85/888556985.db2.gz LMIFNXRVTBXTTP-RYUDHWBXSA-N 0 3 298.387 -1.323 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001389681151 888557191 /nfs/dbraw/zinc/55/71/91/888557191.db2.gz AAEWZZJRVNRPNC-ONGXEEELSA-N 0 3 294.359 -1.103 20 0 CAADHN Cn1cc(CCC(=O)NC[C@@H](NCC(N)=O)C2CC2)nn1 ZINC001389693763 888557391 /nfs/dbraw/zinc/55/73/91/888557391.db2.gz POMYNIZOUXDEFK-LLVKDONJSA-N 0 3 294.359 -1.283 20 0 CAADHN Cn1c(C(=O)NC[C@@H](NCC(N)=O)C2CC2)cccc1=O ZINC001389660003 888557407 /nfs/dbraw/zinc/55/74/07/888557407.db2.gz IJERTYCRXDREAK-SNVBAGLBSA-N 0 3 292.339 -1.031 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001389681123 888557669 /nfs/dbraw/zinc/55/76/69/888557669.db2.gz AAEWZZJRVNRPNC-GXSJLCMTSA-N 0 3 294.359 -1.103 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001389681146 888557751 /nfs/dbraw/zinc/55/77/51/888557751.db2.gz AAEWZZJRVNRPNC-MWLCHTKSSA-N 0 3 294.359 -1.103 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001389681142 888558359 /nfs/dbraw/zinc/55/83/59/888558359.db2.gz AAEWZZJRVNRPNC-KOLCDFICSA-N 0 3 294.359 -1.103 20 0 CAADHN Cn1cc(C(=O)NC[C@H](NCC(N)=O)C2CC2)[nH]c1=O ZINC001389644724 888558497 /nfs/dbraw/zinc/55/84/97/888558497.db2.gz NGIKLPIRNRHJBE-QMMMGPOBSA-N 0 3 281.316 -1.291 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)C1CC1 ZINC001389653351 888558598 /nfs/dbraw/zinc/55/85/98/888558598.db2.gz XDKOYZPYYKPBTF-MNOVXSKESA-N 0 3 296.371 -1.128 20 0 CAADHN CC(C)(O)CC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001389778096 888559232 /nfs/dbraw/zinc/55/92/32/888559232.db2.gz OSIFJAACVCMIJO-QMMMGPOBSA-N 0 3 286.332 -1.467 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001389793096 888559561 /nfs/dbraw/zinc/55/95/61/888559561.db2.gz YLENAJZFXAPAAG-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001389764153 888559748 /nfs/dbraw/zinc/55/97/48/888559748.db2.gz UNJBDPKGGIERRG-WPRPVWTQSA-N 0 3 270.333 -1.553 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001389759685 888559833 /nfs/dbraw/zinc/55/98/33/888559833.db2.gz CYZCGHZANBMNQN-VIFPVBQESA-N 0 3 294.315 -1.732 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001389796739 888559863 /nfs/dbraw/zinc/55/98/63/888559863.db2.gz ZDBZKDPJKHJPHN-QMMMGPOBSA-N 0 3 295.299 -1.066 20 0 CAADHN CO[C@H](C)C(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001389773276 888560040 /nfs/dbraw/zinc/56/00/40/888560040.db2.gz JCIWWEGXVJEFHW-YIZRAAEISA-N 0 3 286.332 -1.205 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001389771326 888560517 /nfs/dbraw/zinc/56/05/17/888560517.db2.gz GPFYDLACBJSICN-VIFPVBQESA-N 0 3 293.327 -1.670 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001389783751 888560581 /nfs/dbraw/zinc/56/05/81/888560581.db2.gz PIPHMBTYFXNIRS-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001389789746 888560742 /nfs/dbraw/zinc/56/07/42/888560742.db2.gz FTUHXXLAMAUOMN-NSHDSACASA-N 0 3 292.339 -1.065 20 0 CAADHN CO[C@H](C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1)C1CC1 ZINC001389779077 888561100 /nfs/dbraw/zinc/56/11/00/888561100.db2.gz RIOXNIFZWFQYKC-ONGXEEELSA-N 0 3 298.343 -1.203 20 0 CAADHN NC(=O)CCCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001389822616 888562705 /nfs/dbraw/zinc/56/27/05/888562705.db2.gz AFMOTDVPIIRDEB-UWVGGRQHSA-N 0 3 282.344 -1.279 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001389818205 888563968 /nfs/dbraw/zinc/56/39/68/888563968.db2.gz MUMTUYNBRWVOOA-DTWKUNHWSA-N 0 3 285.348 -1.501 20 0 CAADHN C[C@H](C(=O)N[C@H]1C[C@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001389875289 888564005 /nfs/dbraw/zinc/56/40/05/888564005.db2.gz SAZKVQJYMUEMDB-BWZBUEFSSA-N 0 3 277.346 -1.858 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001389812250 888564098 /nfs/dbraw/zinc/56/40/98/888564098.db2.gz BBFZQIDMZZKQHE-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001389869011 888564172 /nfs/dbraw/zinc/56/41/72/888564172.db2.gz KBJSLYJLCPBCLR-KYZUINATSA-N 0 3 291.373 -1.596 20 0 CAADHN CC[C@@H](C(=O)NCC1(NC(=O)CNC(N)=O)CC1)N(C)C ZINC001389994369 888567170 /nfs/dbraw/zinc/56/71/70/888567170.db2.gz VUJKDNSKYQQJQA-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001389949469 888567461 /nfs/dbraw/zinc/56/74/61/888567461.db2.gz SZWPZPUWXQMJSA-XHNCKOQMSA-N 0 3 295.347 -1.391 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001390298418 888572835 /nfs/dbraw/zinc/57/28/35/888572835.db2.gz SHAAYKXSKLWAIY-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001390281147 888572711 /nfs/dbraw/zinc/57/27/11/888572711.db2.gz DOHJKAVJPUOWCT-ZJUUUORDSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C1CC1)N[C@H]1CCNC1=O ZINC001390306318 888573198 /nfs/dbraw/zinc/57/31/98/888573198.db2.gz HKZBLYCDEYWJTN-SCZZXKLOSA-N 0 3 282.344 -1.505 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)NCC(=O)NC(C)C ZINC001390288508 888573419 /nfs/dbraw/zinc/57/34/19/888573419.db2.gz IIMGFOGCXPBSHC-VIFPVBQESA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001390301310 888573871 /nfs/dbraw/zinc/57/38/71/888573871.db2.gz DWBJATKKRFSNAY-QMMMGPOBSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cn1cnnn1)C(=O)N(C)C ZINC001390298331 888574054 /nfs/dbraw/zinc/57/40/54/888574054.db2.gz SRQUWEVGVAKSFZ-DTWKUNHWSA-N 0 3 283.336 -1.756 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001390301308 888574610 /nfs/dbraw/zinc/57/46/10/888574610.db2.gz DWBJATKKRFSNAY-MRVPVSSYSA-N 0 3 270.333 -1.647 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCN(C)C1=O ZINC001390293775 888574855 /nfs/dbraw/zinc/57/48/55/888574855.db2.gz LRKYQRMSZGRHCH-WPRPVWTQSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCOC ZINC001390276969 888575016 /nfs/dbraw/zinc/57/50/16/888575016.db2.gz NFLOQIQWTIJRKW-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](C)NCC(=O)N1CCOCC1 ZINC001390285641 888575105 /nfs/dbraw/zinc/57/51/05/888575105.db2.gz DKPZZQZVUYWLQP-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)NCC(=O)NC1CC1 ZINC001390332086 888576015 /nfs/dbraw/zinc/57/60/15/888576015.db2.gz VNRGTOQXXKMDLC-CMPLNLGQSA-N 0 3 298.387 -1.310 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)NCC(=O)N(C)C ZINC001390398137 888576095 /nfs/dbraw/zinc/57/60/95/888576095.db2.gz OPUIWJLCFWUFPA-BDAKNGLRSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)NCC(=O)N1CCC1 ZINC001390368801 888576140 /nfs/dbraw/zinc/57/61/40/888576140.db2.gz NIGGQRGPPBTYSF-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)c1ccncc1)NCC(N)=O ZINC001390370687 888576176 /nfs/dbraw/zinc/57/61/76/888576176.db2.gz OCOAWFMQNNBOOU-SECBINFHSA-N 0 3 293.327 -1.609 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CCn1cncn1 ZINC001390331614 888576222 /nfs/dbraw/zinc/57/62/22/888576222.db2.gz XJPIDUJCLWEGMP-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001390389157 888576364 /nfs/dbraw/zinc/57/63/64/888576364.db2.gz AVFSQLGENVGNRJ-SSDOTTSWSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@@H](CNC(=O)c1ccn(C)c1)NCC(=O)NC(N)=O ZINC001390334896 888576382 /nfs/dbraw/zinc/57/63/82/888576382.db2.gz FVOVKMICJAPPQT-QMMMGPOBSA-N 0 3 281.316 -1.072 20 0 CAADHN C[C@H](CNC(=O)c1cncnc1)NCC(=O)NC(N)=O ZINC001390344748 888576482 /nfs/dbraw/zinc/57/64/82/888576482.db2.gz IUPNCUWSDSWWPZ-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1COC(=O)C1 ZINC001390339838 888576508 /nfs/dbraw/zinc/57/65/08/888576508.db2.gz KRVGDUHBRLBNIZ-DTWKUNHWSA-N 0 3 271.317 -1.220 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ncn(C)n1 ZINC001390354602 888576963 /nfs/dbraw/zinc/57/69/63/888576963.db2.gz BIZJOBQIDTXGNH-SSDOTTSWSA-N 0 3 297.319 -2.021 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1N)NCC(=O)NC1CC1 ZINC001390340402 888577770 /nfs/dbraw/zinc/57/77/70/888577770.db2.gz CCWNZEWLUXWHSC-MRVPVSSYSA-N 0 3 294.359 -1.011 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)NCC(=O)N1CCC1 ZINC001390342372 888577794 /nfs/dbraw/zinc/57/77/94/888577794.db2.gz OEPJACBGXUFCLP-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CCC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001390312187 888578051 /nfs/dbraw/zinc/57/80/51/888578051.db2.gz OLIRKSYBCVNHGU-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)cn1 ZINC001390342037 888578530 /nfs/dbraw/zinc/57/85/30/888578530.db2.gz NWCPXSFKRVRBPD-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001390311401 888578797 /nfs/dbraw/zinc/57/87/97/888578797.db2.gz ZPHXXMUSWREAFR-QMMMGPOBSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)N1CCC1 ZINC001390339495 888578836 /nfs/dbraw/zinc/57/88/36/888578836.db2.gz DMGHBYVLRSBXLQ-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](C(=O)NC[C@H](C)NCC(=O)N(C)C)S(C)(=O)=O ZINC001390398434 888579840 /nfs/dbraw/zinc/57/98/40/888579840.db2.gz OPUIWJLCFWUFPA-DTWKUNHWSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@@H](CNC(=O)c1ccc2nnnn2c1)NCC(N)=O ZINC001390440403 888581704 /nfs/dbraw/zinc/58/17/04/888581704.db2.gz UIGLNJLUGLWSCI-ZETCQYMHSA-N 0 3 277.288 -1.683 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(=O)N1CCC1 ZINC001390449056 888581977 /nfs/dbraw/zinc/58/19/77/888581977.db2.gz ABHACSVTVCVRSZ-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cc(OC)n(C)n1 ZINC001390447592 888582404 /nfs/dbraw/zinc/58/24/04/888582404.db2.gz ZJDWNNFMUPSBHA-QMMMGPOBSA-N 0 3 283.332 -1.117 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)NCC(=O)N1CCC1 ZINC001390490270 888584009 /nfs/dbraw/zinc/58/40/09/888584009.db2.gz CNCADHSLOZSAHQ-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN COC[C@@H](OC)C(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001390465154 888584080 /nfs/dbraw/zinc/58/40/80/888584080.db2.gz FXHPHPPZBBVOCR-NXEZZACHSA-N 0 3 275.349 -1.170 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001390466557 888584504 /nfs/dbraw/zinc/58/45/04/888584504.db2.gz JFOWVPUFYFQESC-HTQZYQBOSA-N 0 3 283.332 -1.032 20 0 CAADHN CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)NCC(N)=O)C1 ZINC001390504666 888584567 /nfs/dbraw/zinc/58/45/67/888584567.db2.gz FSJMCRUPRDNTCT-ZANVPECISA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCc2nn[nH]c21)NCC(N)=O ZINC001390467868 888585148 /nfs/dbraw/zinc/58/51/48/888585148.db2.gz WFOCCPLOZTUSAJ-JGVFFNPUSA-N 0 3 280.332 -1.196 20 0 CAADHN COC[C@H](OC)C(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001390465181 888585745 /nfs/dbraw/zinc/58/57/45/888585745.db2.gz FXHPHPPZBBVOCR-ZJUUUORDSA-N 0 3 275.349 -1.170 20 0 CAADHN C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)N[C@@H](C)C(N)=O ZINC001390521943 888586202 /nfs/dbraw/zinc/58/62/02/888586202.db2.gz JKWXOENUZSAGLM-YUMQZZPRSA-N 0 3 294.377 -2.154 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CCc1cnn(C)n1 ZINC001390472974 888586221 /nfs/dbraw/zinc/58/62/21/888586221.db2.gz CKWCMIDEXVZTAZ-JTQLQIEISA-N 0 3 296.375 -1.022 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@@H]1CCCNC1=O ZINC001390467023 888586292 /nfs/dbraw/zinc/58/62/92/888586292.db2.gz VCOYOHFHRCUJHM-DTWKUNHWSA-N 0 3 293.327 -1.244 20 0 CAADHN C[C@H](CNC(=O)[C@]1(C)CCOC1)NCC(=O)NC(N)=O ZINC001390493187 888586681 /nfs/dbraw/zinc/58/66/81/888586681.db2.gz IDJAUCYMTXPOMU-PRHODGIISA-N 0 3 286.332 -1.298 20 0 CAADHN CC(C)c1nnnn1CC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001390470031 888586815 /nfs/dbraw/zinc/58/68/15/888586815.db2.gz AALPWBLAZXIGJI-DTWKUNHWSA-N 0 3 297.363 -1.235 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@H]1CCCNC1=O ZINC001390467022 888586929 /nfs/dbraw/zinc/58/69/29/888586929.db2.gz VCOYOHFHRCUJHM-BDAKNGLRSA-N 0 3 293.327 -1.244 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001390558644 888587778 /nfs/dbraw/zinc/58/77/78/888587778.db2.gz ZYUVXISHONBGOC-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001390555655 888588166 /nfs/dbraw/zinc/58/81/66/888588166.db2.gz GPFUGEOUEGAGNE-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)NCC(N)=O ZINC001390533097 888588234 /nfs/dbraw/zinc/58/82/34/888588234.db2.gz OWIVTJBGJFEWTA-NKWVEPMBSA-N 0 3 278.334 -2.742 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001390536612 888588340 /nfs/dbraw/zinc/58/83/40/888588340.db2.gz ZAKFGZJXJIARKW-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N[C@@H](C)C(N)=O ZINC001390529508 888588403 /nfs/dbraw/zinc/58/84/03/888588403.db2.gz XHDIRBWVQUOTGF-SFYZADRCSA-N 0 3 281.316 -1.638 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)NCC(N)=O ZINC001390533096 888588665 /nfs/dbraw/zinc/58/86/65/888588665.db2.gz OWIVTJBGJFEWTA-BQBZGAKWSA-N 0 3 278.334 -2.742 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)COCC2CC2)C1 ZINC001390545495 888588909 /nfs/dbraw/zinc/58/89/09/888588909.db2.gz MCFAHTMQOZOFPC-JTQLQIEISA-N 0 3 298.343 -1.202 20 0 CAADHN CO[C@@H](C)CC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001390553666 888589016 /nfs/dbraw/zinc/58/90/16/888589016.db2.gz PIXYPTBOKQOOMP-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cccc(=O)n2C)C1 ZINC001390557048 888589533 /nfs/dbraw/zinc/58/95/33/888589533.db2.gz LSPUICCUZDFUDI-JTQLQIEISA-N 0 3 292.339 -1.065 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001390555256 888589639 /nfs/dbraw/zinc/58/96/39/888589639.db2.gz KYILLCQWXYISSA-ZETCQYMHSA-N 0 3 280.288 -1.591 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@H](NCCF)C1 ZINC001390561119 888589766 /nfs/dbraw/zinc/58/97/66/888589766.db2.gz XMOOFZHCBSNLCC-QMMMGPOBSA-N 0 3 282.341 -1.800 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N[C@@H](C)C(N)=O ZINC001390529515 888590085 /nfs/dbraw/zinc/59/00/85/888590085.db2.gz XHDIRBWVQUOTGF-YUMQZZPRSA-N 0 3 281.316 -1.638 20 0 CAADHN CO[C@H](C)CC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001390553661 888590396 /nfs/dbraw/zinc/59/03/96/888590396.db2.gz PIXYPTBOKQOOMP-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CCNC(N)=O)C(N)=O ZINC001390530133 888590421 /nfs/dbraw/zinc/59/04/21/888590421.db2.gz QMXKEZCKVYKWMY-YUMQZZPRSA-N 0 3 273.337 -1.597 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)CCNC(=O)CCc1nnc[n-]1 ZINC001390656651 888593408 /nfs/dbraw/zinc/59/34/08/888593408.db2.gz VPRCKNWGEVTEIN-SECBINFHSA-N 0 3 282.348 -1.032 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001390761948 888599884 /nfs/dbraw/zinc/59/98/84/888599884.db2.gz SBTBPDISBBNNEG-MNOVXSKESA-N 0 3 287.360 -1.480 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1c[nH]c(=O)n1C ZINC001390798686 888600168 /nfs/dbraw/zinc/60/01/68/888600168.db2.gz SZPUSOPGNAVTKR-VIFPVBQESA-N 0 3 286.332 -1.205 20 0 CAADHN CN(CCCO)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001390821378 888601808 /nfs/dbraw/zinc/60/18/08/888601808.db2.gz AVKYRYXRFMJWEG-QMMMGPOBSA-N 0 3 272.305 -1.985 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001390769263 888602324 /nfs/dbraw/zinc/60/23/24/888602324.db2.gz VTVPXBVUSZLDHH-MRVPVSSYSA-N 0 3 284.320 -2.194 20 0 CAADHN CCN(CCNC(=O)[C@@H]1COC(=O)N1)C[C@H](O)COC ZINC001390892005 888604792 /nfs/dbraw/zinc/60/47/92/888604792.db2.gz KLWAIDXQJDSPKL-UWVGGRQHSA-N 0 3 289.332 -1.460 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001390861807 888605291 /nfs/dbraw/zinc/60/52/91/888605291.db2.gz ROGIYSHMOXSPCO-ZJUUUORDSA-N 0 3 293.389 -1.239 20 0 CAADHN C[C@H](C(N)=O)N1CCC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001391067158 888610014 /nfs/dbraw/zinc/61/00/14/888610014.db2.gz IOGXZXJJXJJMAE-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H]1CCCN1C[C@@H](C)O ZINC001391076847 888611709 /nfs/dbraw/zinc/61/17/09/888611709.db2.gz UISUCOPNIUOXQO-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN CCN(CCNC(=O)[C@@H]1CCC(=O)N1)C[C@H](O)COC ZINC001391007029 888612366 /nfs/dbraw/zinc/61/23/66/888612366.db2.gz KIXWEHNVAMZOSV-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001391035032 888611963 /nfs/dbraw/zinc/61/19/63/888611963.db2.gz WNLIFQOFFUEDQV-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN Cn1cnn(CCC(=O)NC[C@@H]2CCCN2CCO)c1=O ZINC001391052941 888612128 /nfs/dbraw/zinc/61/21/28/888612128.db2.gz SPHOIRRYCUFTSG-NSHDSACASA-N 0 3 297.359 -1.455 20 0 CAADHN C[C@@H](C(N)=O)N1CCC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001391067156 888612422 /nfs/dbraw/zinc/61/24/22/888612422.db2.gz IOGXZXJJXJJMAE-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN CCN(CCNC(=O)[C@H]1CNC(=O)N1)C[C@H](O)COC ZINC001390961962 888612449 /nfs/dbraw/zinc/61/24/49/888612449.db2.gz PGORJAUXTIODEX-VHSXEESVSA-N 0 3 288.348 -1.887 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1COC(=O)N1)C(=O)N(C)C ZINC001391204311 888614843 /nfs/dbraw/zinc/61/48/43/888614843.db2.gz DIINJSLESDFBKE-RKDXNWHRSA-N 0 3 286.332 -1.381 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O ZINC001391203685 888615430 /nfs/dbraw/zinc/61/54/30/888615430.db2.gz BAELMQHXMJHVNS-MRVPVSSYSA-N 0 3 297.315 -2.129 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cnccn1)C(=O)NC(N)=O ZINC001391198899 888615727 /nfs/dbraw/zinc/61/57/27/888615727.db2.gz KLAVFCOZPMXMGZ-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@@H]1CCN(C)C1=O)C(N)=O ZINC001391203076 888615879 /nfs/dbraw/zinc/61/58/79/888615879.db2.gz AAMZXPPTKDQION-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O ZINC001391203694 888616020 /nfs/dbraw/zinc/61/60/20/888616020.db2.gz BAELMQHXMJHVNS-QMMMGPOBSA-N 0 3 297.315 -2.129 20 0 CAADHN CC[C@H](NCCN(C)C(=O)c1nccnc1N)C(N)=O ZINC001391205238 888616076 /nfs/dbraw/zinc/61/60/76/888616076.db2.gz AVPWYUJFKLZZIM-QMMMGPOBSA-N 0 3 280.332 -1.016 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001391199850 888616262 /nfs/dbraw/zinc/61/62/62/888616262.db2.gz HHRYYONPFCGZGS-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@@H]1CCC(=O)NC1)C(N)=O ZINC001391204121 888616507 /nfs/dbraw/zinc/61/65/07/888616507.db2.gz WFKMPHPKPPZQKG-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CNC(=O)C1CC1 ZINC001391207830 888618341 /nfs/dbraw/zinc/61/83/41/888618341.db2.gz IWGUVIPGNPIUPA-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CCn1cncn1 ZINC001391205977 888618552 /nfs/dbraw/zinc/61/85/52/888618552.db2.gz FEOYXCGIJWFCQE-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)Cn1ncn(C)c1=O ZINC001391207300 888618686 /nfs/dbraw/zinc/61/86/86/888618686.db2.gz KURKCHJWVABAOA-VIFPVBQESA-N 0 3 296.331 -2.482 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cccn(C)c1=O ZINC001391223814 888618747 /nfs/dbraw/zinc/61/87/47/888618747.db2.gz CBXDINBPUALNEP-NSHDSACASA-N 0 3 292.339 -1.065 20 0 CAADHN COC[C@H](OC)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001391220290 888619027 /nfs/dbraw/zinc/61/90/27/888619027.db2.gz QVVYRTBIXVYUJX-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)CCn1cncn1 ZINC001391205979 888619066 /nfs/dbraw/zinc/61/90/66/888619066.db2.gz FEOYXCGIJWFCQE-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001391209921 888619168 /nfs/dbraw/zinc/61/91/68/888619168.db2.gz OHXQHMLFOMZYGW-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CCCC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001391215422 888619208 /nfs/dbraw/zinc/61/92/08/888619208.db2.gz QJDQDMBHNDLYNB-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cccn(C)c1=O ZINC001391223812 888619316 /nfs/dbraw/zinc/61/93/16/888619316.db2.gz CBXDINBPUALNEP-LLVKDONJSA-N 0 3 292.339 -1.065 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CCN(C)C1=O ZINC001391215086 888619611 /nfs/dbraw/zinc/61/96/11/888619611.db2.gz WPMVLLCQPXYSSV-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CCN(C)C1=O ZINC001391215070 888619630 /nfs/dbraw/zinc/61/96/30/888619630.db2.gz WPMVLLCQPXYSSV-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1ccnc1)C(=O)NC(N)=O ZINC001391225668 888619657 /nfs/dbraw/zinc/61/96/57/888619657.db2.gz JTCDDCOBARHNGJ-SECBINFHSA-N 0 3 296.331 -1.486 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCCC(=O)N1C)C(N)=O ZINC001391231158 888620002 /nfs/dbraw/zinc/62/00/02/888620002.db2.gz WATXHVBECJXJIV-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001391218095 888620065 /nfs/dbraw/zinc/62/00/65/888620065.db2.gz WYWDZEAVENCVRE-YUMQZZPRSA-N 0 3 297.315 -2.479 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1ccnc1)C(=O)NC(N)=O ZINC001391225672 888620099 /nfs/dbraw/zinc/62/00/99/888620099.db2.gz JTCDDCOBARHNGJ-VIFPVBQESA-N 0 3 296.331 -1.486 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)c2nnn(C)n2)C1=O ZINC001391223493 888620234 /nfs/dbraw/zinc/62/02/34/888620234.db2.gz GPGMFMOVAJXGGM-VIFPVBQESA-N 0 3 295.347 -1.508 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001391224158 888620265 /nfs/dbraw/zinc/62/02/65/888620265.db2.gz DZXSEFYPEGTFBZ-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CNC(=O)OC)C(N)=O ZINC001391212274 888620279 /nfs/dbraw/zinc/62/02/79/888620279.db2.gz OKTULCPMEVXNGA-MRVPVSSYSA-N 0 3 274.321 -1.346 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CNC(=O)C1CC1)C(N)=O ZINC001391217540 888620343 /nfs/dbraw/zinc/62/03/43/888620343.db2.gz WBEWZWUSCPAZFP-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001391209935 888620730 /nfs/dbraw/zinc/62/07/30/888620730.db2.gz OHXQHMLFOMZYGW-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CNC(=O)OC)C(N)=O ZINC001391212276 888620950 /nfs/dbraw/zinc/62/09/50/888620950.db2.gz OKTULCPMEVXNGA-QMMMGPOBSA-N 0 3 274.321 -1.346 20 0 CAADHN Cc1nn(CC(=O)N(C)CCN[C@H](C)C(N)=O)c(=O)n1C ZINC001391232933 888621012 /nfs/dbraw/zinc/62/10/12/888621012.db2.gz YKPTXXMDMFJECR-MRVPVSSYSA-N 0 3 298.347 -2.188 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001391218093 888621325 /nfs/dbraw/zinc/62/13/25/888621325.db2.gz WYWDZEAVENCVRE-SFYZADRCSA-N 0 3 297.315 -2.479 20 0 CAADHN CNC(=O)NCC(=O)NCC[C@H]1CCN([C@H](C)C(N)=O)C1 ZINC001391306839 888621503 /nfs/dbraw/zinc/62/15/03/888621503.db2.gz DGUWVXICQHXMAH-ZJUUUORDSA-N 0 3 299.375 -1.383 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001391383911 888623526 /nfs/dbraw/zinc/62/35/26/888623526.db2.gz GHTGZVWSNDATDN-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)Cn2cncn2)CC1 ZINC001391366539 888625744 /nfs/dbraw/zinc/62/57/44/888625744.db2.gz VZACKBGJSXWROC-UHFFFAOYSA-N 0 3 294.359 -1.066 20 0 CAADHN C[C@H](O)CCCN1CC(CNC(=O)Cn2cnnn2)C1 ZINC001391467417 888632474 /nfs/dbraw/zinc/63/24/74/888632474.db2.gz PIMPWDBTHCVBOG-JTQLQIEISA-N 0 3 282.348 -1.118 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)CNC(=O)OC)C1 ZINC001391479474 888633381 /nfs/dbraw/zinc/63/33/81/888633381.db2.gz QZPMCBQOGXBWPZ-SNVBAGLBSA-N 0 3 289.332 -1.602 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)Cn2ccnc2)C1 ZINC001391511658 888635678 /nfs/dbraw/zinc/63/56/78/888635678.db2.gz AZWYUDTVCROWSU-LBPRGKRZSA-N 0 3 282.344 -1.062 20 0 CAADHN CNS(=O)(=O)CC(=O)NCC1CN([C@@H](C)COC)C1 ZINC001391525152 888635731 /nfs/dbraw/zinc/63/57/31/888635731.db2.gz ZMMUJCRCQXXGSM-VIFPVBQESA-N 0 3 293.389 -1.382 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001391559904 888635878 /nfs/dbraw/zinc/63/58/78/888635878.db2.gz AAVBQNNJIQJTAC-VWYCJHECSA-N 0 3 287.360 -1.304 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001391552254 888635931 /nfs/dbraw/zinc/63/59/31/888635931.db2.gz GNSICIVKTPEJAI-QJPTWQEYSA-N 0 3 299.371 -1.147 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001391501705 888636095 /nfs/dbraw/zinc/63/60/95/888636095.db2.gz PFLNJVWDXJRRIA-WUHRBBMRSA-N 0 3 284.356 -1.066 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)CCNC(N)=O)C1 ZINC001391515886 888636362 /nfs/dbraw/zinc/63/63/62/888636362.db2.gz GDTOJOBPNLZWGR-JTQLQIEISA-N 0 3 288.348 -1.900 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001391499027 888636571 /nfs/dbraw/zinc/63/65/71/888636571.db2.gz XZVXMPRRTYMZRS-VIFPVBQESA-N 0 3 293.389 -1.516 20 0 CAADHN CCN(C)C(=O)CN1CC(CNC(=O)c2ncn[nH]2)C1 ZINC001391510919 888636620 /nfs/dbraw/zinc/63/66/20/888636620.db2.gz KTWVRVXLFVWUMU-UHFFFAOYSA-N 0 3 280.332 -1.055 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)CCCC(N)=O)C1 ZINC001391567440 888638248 /nfs/dbraw/zinc/63/82/48/888638248.db2.gz HUACASKWDKLYKW-WDEREUQCSA-N 0 3 287.360 -1.160 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cccn1)NCC(=O)NC(N)=O ZINC001391668336 888638281 /nfs/dbraw/zinc/63/82/81/888638281.db2.gz RHDXOYRVYLQTFT-VIFPVBQESA-N 0 3 296.331 -1.438 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001391564718 888638862 /nfs/dbraw/zinc/63/88/62/888638862.db2.gz PDSFWKNYAVCMOB-ZDCRXTMVSA-N 0 3 285.344 -1.694 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001391569403 888639603 /nfs/dbraw/zinc/63/96/03/888639603.db2.gz VEADAIGCPUKYBI-GHMZBOCLSA-N 0 3 273.333 -1.680 20 0 CAADHN CC[C@@H](CNC(=O)CS(C)(=O)=O)N[C@@H](CC)C(N)=O ZINC001391666074 888639676 /nfs/dbraw/zinc/63/96/76/888639676.db2.gz KTEMOWWCZWLFAV-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@H](CNC(=O)CNC(C)=O)N[C@H]1CCN(C)C1=O ZINC001391660483 888640522 /nfs/dbraw/zinc/64/05/22/888640522.db2.gz OUKAUCRZCSIEQB-MNOVXSKESA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)N[C@@H](C)C(=O)NC ZINC001391657948 888640546 /nfs/dbraw/zinc/64/05/46/888640546.db2.gz KXPNVSOOSHONLZ-DTWKUNHWSA-N 0 3 283.336 -1.708 20 0 CAADHN CCN(C(=O)Cn1ncnn1)[C@H]1CCN(C[C@@H](C)O)C1 ZINC001391643152 888640637 /nfs/dbraw/zinc/64/06/37/888640637.db2.gz NOYYXMYGAYBVTR-MNOVXSKESA-N 0 3 282.348 -1.023 20 0 CAADHN CC[C@H](CNC(=O)c1ccn[nH]1)NCC(=O)NC(=O)NC ZINC001391671548 888641169 /nfs/dbraw/zinc/64/11/69/888641169.db2.gz KEDMGGANQJADNF-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN NS(=O)(=O)CCCC(=O)N[C@H]1CCN(CCCO)C1 ZINC001391560875 888641239 /nfs/dbraw/zinc/64/12/39/888641239.db2.gz KRWJBWYTEIVLJL-JTQLQIEISA-N 0 3 293.389 -1.372 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)N[C@H](C)C(=O)NC ZINC001391657928 888641252 /nfs/dbraw/zinc/64/12/52/888641252.db2.gz KXPNVSOOSHONLZ-BDAKNGLRSA-N 0 3 283.336 -1.708 20 0 CAADHN CC[C@H](CNC(=O)CS(C)(=O)=O)N[C@@H](CC)C(N)=O ZINC001391666066 888641261 /nfs/dbraw/zinc/64/12/61/888641261.db2.gz KTEMOWWCZWLFAV-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N[C@H](C)C(N)=O ZINC001391743246 888642464 /nfs/dbraw/zinc/64/24/64/888642464.db2.gz MURMFJYBFOIORA-BDAKNGLRSA-N 0 3 295.343 -1.248 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CC(=O)N(CC)C1)NCC(N)=O ZINC001391682567 888642695 /nfs/dbraw/zinc/64/26/95/888642695.db2.gz KOEVENLMNRIBKV-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H]1CCNC1=O ZINC001391735983 888642809 /nfs/dbraw/zinc/64/28/09/888642809.db2.gz KURONMMUBDSDAD-DTWKUNHWSA-N 0 3 280.332 -1.280 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)N[C@H](C)C(=O)NC ZINC001391688327 888642839 /nfs/dbraw/zinc/64/28/39/888642839.db2.gz DRWLDQBCPMFGKU-BDAKNGLRSA-N 0 3 283.336 -1.708 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)N[C@@H](C)C(=O)NC ZINC001391688331 888642852 /nfs/dbraw/zinc/64/28/52/888642852.db2.gz DRWLDQBCPMFGKU-DTWKUNHWSA-N 0 3 283.336 -1.708 20 0 CAADHN CC[C@H](CNC(=O)c1cc(=O)c(OC)c[nH]1)NCC(N)=O ZINC001391702494 888642969 /nfs/dbraw/zinc/64/29/69/888642969.db2.gz AORSLRGXIODDEB-MRVPVSSYSA-N 0 3 296.327 -1.033 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(=O)NC ZINC001391723527 888643022 /nfs/dbraw/zinc/64/30/22/888643022.db2.gz ZVBXQXWDUFPSDU-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCc1n[nH]c(C)n1 ZINC001391714139 888643177 /nfs/dbraw/zinc/64/31/77/888643177.db2.gz AELLDOYNZSANID-IUCAKERBSA-N 0 3 295.347 -1.221 20 0 CAADHN CC[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)NCC(N)=O ZINC001391705200 888643188 /nfs/dbraw/zinc/64/31/88/888643188.db2.gz VWLHCKPJDYHPPA-MRVPVSSYSA-N 0 3 297.315 -2.081 20 0 CAADHN CC[C@@H](CNC(=O)c1ncccn1)NCC(=O)NC(N)=O ZINC001391727703 888643482 /nfs/dbraw/zinc/64/34/82/888643482.db2.gz DANROKYQLVWTNB-QMMMGPOBSA-N 0 3 294.315 -1.231 20 0 CAADHN CC[C@H](CNC(=O)CCS(C)(=O)=O)NCC(N)=O ZINC001391704378 888643499 /nfs/dbraw/zinc/64/34/99/888643499.db2.gz NOJGZLKOOXWAIL-MRVPVSSYSA-N 0 3 279.362 -1.609 20 0 CAADHN CNC(=O)NCC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001391764420 888643986 /nfs/dbraw/zinc/64/39/86/888643986.db2.gz CTCQEPNFGCWJEP-UHFFFAOYSA-N 0 3 285.348 -1.581 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)N[C@H]1CCN(C)C1=O ZINC001391693297 888643811 /nfs/dbraw/zinc/64/38/11/888643811.db2.gz ONMPPUTVFQQXMG-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CC[C@H](CNC(=O)C1CS(=O)(=O)C1)NCC(N)=O ZINC001391683568 888643891 /nfs/dbraw/zinc/64/38/91/888643891.db2.gz IPHSLRBQVBWQJX-MRVPVSSYSA-N 0 3 277.346 -1.999 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(N)=O)NCC(=O)N(C)C ZINC001391740861 888643919 /nfs/dbraw/zinc/64/39/19/888643919.db2.gz IAKGULBEBBDOPC-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN CC[C@H](CNC(=O)C[C@H]1CCNC1=O)NCC(=O)NC ZINC001391698249 888644055 /nfs/dbraw/zinc/64/40/55/888644055.db2.gz UBUROPYWPZTSFA-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H]1CCNC1=O ZINC001391735817 888644175 /nfs/dbraw/zinc/64/41/75/888644175.db2.gz KURONMMUBDSDAD-BDAKNGLRSA-N 0 3 280.332 -1.280 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)NC1CC1 ZINC001391696780 888644379 /nfs/dbraw/zinc/64/43/79/888644379.db2.gz XYVDZCBNRJVDOP-SCZZXKLOSA-N 0 3 298.343 -1.142 20 0 CAADHN CC[C@H](CNC(=O)C[C@H]1CCNC1=O)NCC(N)=O ZINC001391692675 888644457 /nfs/dbraw/zinc/64/44/57/888644457.db2.gz GJCLZNYLQUFHFB-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](CNC(=O)c1ccc(=O)n(C)n1)N[C@H](C)C(N)=O ZINC001391743254 888644542 /nfs/dbraw/zinc/64/45/42/888644542.db2.gz MURMFJYBFOIORA-RKDXNWHRSA-N 0 3 295.343 -1.248 20 0 CAADHN CC[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H](C)C(=O)NC ZINC001391734513 888644579 /nfs/dbraw/zinc/64/45/79/888644579.db2.gz JBPGKWZYEQHDMW-IUCAKERBSA-N 0 3 282.348 -1.034 20 0 CAADHN CC[C@H](CNC(=O)c1ncccn1)NCC(=O)NC(N)=O ZINC001391727698 888644672 /nfs/dbraw/zinc/64/46/72/888644672.db2.gz DANROKYQLVWTNB-MRVPVSSYSA-N 0 3 294.315 -1.231 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)NCC(N)=O ZINC001391741846 888645138 /nfs/dbraw/zinc/64/51/38/888645138.db2.gz OXLSWVXPDBQICS-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H](C)C(=O)NC ZINC001391734518 888645055 /nfs/dbraw/zinc/64/50/55/888645055.db2.gz JBPGKWZYEQHDMW-RKDXNWHRSA-N 0 3 282.348 -1.034 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)N[C@@H]1CCN(C)C1=O ZINC001391692030 888645164 /nfs/dbraw/zinc/64/51/64/888645164.db2.gz KJOBQBNLLFWNCO-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@@H]1CNCC(=O)NC ZINC001391858229 888647215 /nfs/dbraw/zinc/64/72/15/888647215.db2.gz XRRLVDNRSKMSQF-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CN1CCCC1=O ZINC001391851185 888646388 /nfs/dbraw/zinc/64/63/88/888646388.db2.gz YOKICNQFRIEKHP-SNVBAGLBSA-N 0 3 282.344 -1.325 20 0 CAADHN CNC(=O)NCCC(=O)N1CCC[C@@H]1CN[C@H](C)C(N)=O ZINC001391853587 888646520 /nfs/dbraw/zinc/64/65/20/888646520.db2.gz GHABFLKJTRCSOV-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1C ZINC001391863242 888646758 /nfs/dbraw/zinc/64/67/58/888646758.db2.gz WTHXKBVSRAIOFX-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001391783141 888646806 /nfs/dbraw/zinc/64/68/06/888646806.db2.gz HRORAADXBBCIFE-ZDUSSCGKSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)c1nnn(C)n1)C(N)=O ZINC001391861406 888646992 /nfs/dbraw/zinc/64/69/92/888646992.db2.gz HRELIRUYVMVDLA-HTQZYQBOSA-N 0 3 281.320 -1.722 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001391898272 888647051 /nfs/dbraw/zinc/64/70/51/888647051.db2.gz KXBOWEHNBFDPHC-MRVPVSSYSA-N 0 3 281.316 -1.116 20 0 CAADHN COC[C@H](OC)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001391865019 888647320 /nfs/dbraw/zinc/64/73/20/888647320.db2.gz KEJSWNGWDOGKFJ-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001391816256 888647800 /nfs/dbraw/zinc/64/78/00/888647800.db2.gz OLPKSXLIMHYMFA-ZANVPECISA-N 0 3 297.359 -1.712 20 0 CAADHN CC[C@H]([NH2+]C[C@H](C)CNC(=O)Cc1nnc[n-]1)C(N)=O ZINC001391948174 888649865 /nfs/dbraw/zinc/64/98/65/888649865.db2.gz HZBPAKXMVJHKHM-IUCAKERBSA-N 0 3 282.348 -1.047 20 0 CAADHN CC[C@H]([NH2+]C[C@@H](C)CNC(=O)Cc1nnc[n-]1)C(N)=O ZINC001391948166 888650676 /nfs/dbraw/zinc/65/06/76/888650676.db2.gz HZBPAKXMVJHKHM-BDAKNGLRSA-N 0 3 282.348 -1.047 20 0 CAADHN CN1C[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)CC1=O ZINC001392010702 888656381 /nfs/dbraw/zinc/65/63/81/888656381.db2.gz QZOYXPLTEAUCTE-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001392029717 888658736 /nfs/dbraw/zinc/65/87/36/888658736.db2.gz AHGMPJHREVLKEQ-SECBINFHSA-N 0 3 272.349 -1.353 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001392027700 888659964 /nfs/dbraw/zinc/65/99/64/888659964.db2.gz YUMWRCYZPYRJDE-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001392036680 888660336 /nfs/dbraw/zinc/66/03/36/888660336.db2.gz IMQSQSSFZDNVBC-IUCAKERBSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CN1CCCC1=O ZINC001392038679 888660427 /nfs/dbraw/zinc/66/04/27/888660427.db2.gz KCSZURUDSDYYTF-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CN1CCCC1=O ZINC001392046855 888661492 /nfs/dbraw/zinc/66/14/92/888661492.db2.gz ZVBSULHFCVQETN-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1 ZINC001392073755 888661589 /nfs/dbraw/zinc/66/15/89/888661589.db2.gz JUUCUEQSYQAGIV-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)Cn1ncnn1 ZINC001392056190 888661621 /nfs/dbraw/zinc/66/16/21/888661621.db2.gz FJEOWNQHYDUOJE-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CN[C@@H]1CCNC1=O ZINC001392078378 888662159 /nfs/dbraw/zinc/66/21/59/888662159.db2.gz VBDWIEWOYRAFSS-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN CC[C@H](NC[C@@H](C)N(C)C(=O)Cn1ncnn1)C(N)=O ZINC001392065834 888662416 /nfs/dbraw/zinc/66/24/16/888662416.db2.gz USNTWLKJGVONRY-BDAKNGLRSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cccn2nnnc12 ZINC001392068347 888662462 /nfs/dbraw/zinc/66/24/62/888662462.db2.gz XLFDXUFGAYWZIE-MRVPVSSYSA-N 0 3 291.315 -1.340 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CN[C@H]1CCNC1=O ZINC001392078372 888662481 /nfs/dbraw/zinc/66/24/81/888662481.db2.gz VBDWIEWOYRAFSS-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCn1ncn(C)c1=O ZINC001392087853 888662777 /nfs/dbraw/zinc/66/27/77/888662777.db2.gz ZKZMBAATZWTUCO-VIFPVBQESA-N 0 3 298.347 -2.106 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001392070614 888663081 /nfs/dbraw/zinc/66/30/81/888663081.db2.gz ATHUSBSKEGUZEC-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cccn2nnnc12 ZINC001392068352 888663115 /nfs/dbraw/zinc/66/31/15/888663115.db2.gz XLFDXUFGAYWZIE-QMMMGPOBSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCn1cncn1 ZINC001392051293 888663149 /nfs/dbraw/zinc/66/31/49/888663149.db2.gz YARNXCDNTNCGMT-UWVGGRQHSA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1nnn(C)c1C ZINC001392050112 888663304 /nfs/dbraw/zinc/66/33/04/888663304.db2.gz KFWFFVBEXOMNJL-QMMMGPOBSA-N 0 3 282.348 -1.080 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001392087001 888663361 /nfs/dbraw/zinc/66/33/61/888663361.db2.gz FUFQEWGMVZYVBV-HTQZYQBOSA-N 0 3 283.336 -1.605 20 0 CAADHN CNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@H]1CNC(=O)N1 ZINC001392172442 888664756 /nfs/dbraw/zinc/66/47/56/888664756.db2.gz SZFVWUSONMTPNP-NXEZZACHSA-N 0 3 299.375 -1.466 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001392129692 888664703 /nfs/dbraw/zinc/66/47/03/888664703.db2.gz GPYIMXBTRSDOHI-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001392094640 888664947 /nfs/dbraw/zinc/66/49/47/888664947.db2.gz XUIMXJQVDWZOHA-DTWKUNHWSA-N 0 3 270.333 -1.471 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CCNC(N)=O ZINC001392131590 888665064 /nfs/dbraw/zinc/66/50/64/888665064.db2.gz NVOIYCSGVLSJFK-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001392120296 888665358 /nfs/dbraw/zinc/66/53/58/888665358.db2.gz CTLHVVAARLYIQB-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](NC[C@H](C)N(C)C(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001392137396 888665537 /nfs/dbraw/zinc/66/55/37/888665537.db2.gz JMRWTDRTSJBGSO-IUCAKERBSA-N 0 3 297.359 -1.352 20 0 CAADHN CNC(=O)CNC[C@@H](CC(C)C)NC(=O)Cn1ncnn1 ZINC001392152768 888665558 /nfs/dbraw/zinc/66/55/58/888665558.db2.gz NNIKFZWHVRNZEM-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001392120302 888665701 /nfs/dbraw/zinc/66/57/01/888665701.db2.gz CTLHVVAARLYIQB-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001392129689 888665859 /nfs/dbraw/zinc/66/58/59/888665859.db2.gz GPYIMXBTRSDOHI-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001392120305 888666031 /nfs/dbraw/zinc/66/60/31/888666031.db2.gz CTLHVVAARLYIQB-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CCNC(N)=O ZINC001392131587 888666797 /nfs/dbraw/zinc/66/67/97/888666797.db2.gz NVOIYCSGVLSJFK-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001392137391 888667206 /nfs/dbraw/zinc/66/72/06/888667206.db2.gz JMRWTDRTSJBGSO-BDAKNGLRSA-N 0 3 297.359 -1.352 20 0 CAADHN CC(C)[C@H](CNC(=O)C[C@@H]1CCNC1=O)NCC(N)=O ZINC001392226576 888668702 /nfs/dbraw/zinc/66/87/02/888668702.db2.gz ANINKNLQJKFPCR-UWVGGRQHSA-N 0 3 284.360 -1.272 20 0 CAADHN CC(C)[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)NCC(N)=O ZINC001392237693 888669293 /nfs/dbraw/zinc/66/92/93/888669293.db2.gz SESOFHRXTLVLLZ-MRVPVSSYSA-N 0 3 283.332 -1.045 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C[C@H]1CCNC1=O)C(C)C ZINC001392232146 888669747 /nfs/dbraw/zinc/66/97/47/888669747.db2.gz KEWUAOREJGAUMG-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C(C)C ZINC001392232148 888670475 /nfs/dbraw/zinc/67/04/75/888670475.db2.gz KEWUAOREJGAUMG-QWRGUYRKSA-N 0 3 298.387 -1.011 20 0 CAADHN CC(C)CC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001392339532 888671983 /nfs/dbraw/zinc/67/19/83/888671983.db2.gz IRMYPGRBPLOADW-QMMMGPOBSA-N 0 3 274.321 -1.706 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C(C)C ZINC001392213862 888670693 /nfs/dbraw/zinc/67/06/93/888670693.db2.gz BQMBGAAQIMQJHL-MNOVXSKESA-N 0 3 298.387 -1.059 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)NCc1cccnc1 ZINC001392339307 888672780 /nfs/dbraw/zinc/67/27/80/888672780.db2.gz GUEPOLPELTUBQJ-GFCCVEGCSA-N 0 3 280.328 -1.216 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccncc1 ZINC001392339412 888673278 /nfs/dbraw/zinc/67/32/78/888673278.db2.gz HXJFJRFBDIOQEH-NSHDSACASA-N 0 3 280.328 -1.102 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccncc1 ZINC001392339403 888673294 /nfs/dbraw/zinc/67/32/94/888673294.db2.gz HXJFJRFBDIOQEH-LLVKDONJSA-N 0 3 280.328 -1.102 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001392319730 888673379 /nfs/dbraw/zinc/67/33/79/888673379.db2.gz RHYWQCSRLVZRSF-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN CC(C)CC(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001392339524 888673734 /nfs/dbraw/zinc/67/37/34/888673734.db2.gz IRMYPGRBPLOADW-MRVPVSSYSA-N 0 3 274.321 -1.706 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)c1cn[nH]n1 ZINC001392287480 888673787 /nfs/dbraw/zinc/67/37/87/888673787.db2.gz CWNZCEKVACLHPJ-VIFPVBQESA-N 0 3 271.321 -1.184 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001392278558 888674020 /nfs/dbraw/zinc/67/40/20/888674020.db2.gz QCCUUMLZJYYVKE-SNVBAGLBSA-N 0 3 295.405 -1.351 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392298961 888674050 /nfs/dbraw/zinc/67/40/50/888674050.db2.gz BARXTAHEKWHBOF-ZJUUUORDSA-N 0 3 272.349 -1.219 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)Cn1ncnn1 ZINC001392277932 888674344 /nfs/dbraw/zinc/67/43/44/888674344.db2.gz PVQONXCPFOUGEI-JTQLQIEISA-N 0 3 286.336 -1.929 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)c1nnn(C)n1 ZINC001392298444 888674460 /nfs/dbraw/zinc/67/44/60/888674460.db2.gz XRFATNWIUDQACG-VIFPVBQESA-N 0 3 286.336 -1.779 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)NCc1cccnc1 ZINC001392339310 888674685 /nfs/dbraw/zinc/67/46/85/888674685.db2.gz GUEPOLPELTUBQJ-LBPRGKRZSA-N 0 3 280.328 -1.216 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NC[C@@H](O)CNC(C)=O ZINC001392347296 888675872 /nfs/dbraw/zinc/67/58/72/888675872.db2.gz YPLULQSVJOGROZ-IONNQARKSA-N 0 3 274.321 -1.693 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001392348426 888675953 /nfs/dbraw/zinc/67/59/53/888675953.db2.gz DIZLNXYBVIPJNO-JTQLQIEISA-N 0 3 283.332 -1.811 20 0 CAADHN COCCC(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001392345578 888676080 /nfs/dbraw/zinc/67/60/80/888676080.db2.gz VUUCYVPRBROVHY-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnsn1)C(N)=O ZINC001392352716 888676134 /nfs/dbraw/zinc/67/61/34/888676134.db2.gz DETXNOVNXNHYBL-BQBZGAKWSA-N 0 3 287.345 -1.518 20 0 CAADHN CN1CCC[C@@H](NC[C@@H](O)CNC(=O)c2ccon2)C1=O ZINC001392352335 888676219 /nfs/dbraw/zinc/67/62/19/888676219.db2.gz BRDVDVYHQMXLAS-MWLCHTKSSA-N 0 3 296.327 -1.024 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCn1cncn1 ZINC001392348758 888676259 /nfs/dbraw/zinc/67/62/59/888676259.db2.gz JNEWEMGCPANEPQ-QMMMGPOBSA-N 0 3 270.293 -2.780 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NC[C@@H](O)CNC(C)=O ZINC001392347297 888676303 /nfs/dbraw/zinc/67/63/03/888676303.db2.gz YPLULQSVJOGROZ-VXNVDRBHSA-N 0 3 274.321 -1.693 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCc1ccccn1 ZINC001392347270 888676485 /nfs/dbraw/zinc/67/64/85/888676485.db2.gz WYZNHGPDKCNYKK-GFCCVEGCSA-N 0 3 280.328 -1.216 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)no1 ZINC001392351577 888676656 /nfs/dbraw/zinc/67/66/56/888676656.db2.gz OSGHICUKTBMTBV-UWVGGRQHSA-N 0 3 296.327 -1.058 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](O)CNCc1cncn1C ZINC001392350316 888676786 /nfs/dbraw/zinc/67/67/86/888676786.db2.gz OFWHIOKPZOWIPI-LBPRGKRZSA-N 0 3 297.359 -1.535 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NC[C@H](O)CNC(C)=O ZINC001392347291 888676847 /nfs/dbraw/zinc/67/68/47/888676847.db2.gz YPLULQSVJOGROZ-APPZFPTMSA-N 0 3 274.321 -1.693 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)NC[C@@H]1CCOC1 ZINC001392340067 888677189 /nfs/dbraw/zinc/67/71/89/888677189.db2.gz IEDRIFKQWBWQSS-WDEREUQCSA-N 0 3 273.333 -1.774 20 0 CAADHN O=C(CN1CCCC1=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392342324 888677245 /nfs/dbraw/zinc/67/72/45/888677245.db2.gz CCVBXPUSSMUHLL-ZJUUUORDSA-N 0 3 298.343 -2.436 20 0 CAADHN COCCC(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001392345574 888677305 /nfs/dbraw/zinc/67/73/05/888677305.db2.gz VUUCYVPRBROVHY-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001392348428 888677546 /nfs/dbraw/zinc/67/75/46/888677546.db2.gz DIZLNXYBVIPJNO-SNVBAGLBSA-N 0 3 283.332 -1.811 20 0 CAADHN CN1CCC[C@@H](NC[C@H](O)CNC(=O)c2ccon2)C1=O ZINC001392352330 888677656 /nfs/dbraw/zinc/67/76/56/888677656.db2.gz BRDVDVYHQMXLAS-GXSJLCMTSA-N 0 3 296.327 -1.024 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2cccnc2)C1=O ZINC001392343794 888677740 /nfs/dbraw/zinc/67/77/40/888677740.db2.gz RQFHOJLACBZLJU-RYUDHWBXSA-N 0 3 292.339 -1.007 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001392347272 888677789 /nfs/dbraw/zinc/67/77/89/888677789.db2.gz WYZNHGPDKCNYKK-LBPRGKRZSA-N 0 3 280.328 -1.216 20 0 CAADHN CC(C)OCCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392348469 888677951 /nfs/dbraw/zinc/67/79/51/888677951.db2.gz IHLPULYUTQMOLN-QWRGUYRKSA-N 0 3 287.360 -1.243 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cnsn1 ZINC001392352743 888678052 /nfs/dbraw/zinc/67/80/52/888678052.db2.gz DGMKKMVJELYMMO-RQJHMYQMSA-N 0 3 285.329 -1.893 20 0 CAADHN CCC(CC)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001392351194 888678100 /nfs/dbraw/zinc/67/81/00/888678100.db2.gz SCPRLMKRWXBRFD-VIFPVBQESA-N 0 3 288.348 -1.316 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCc1cncn1C ZINC001392353295 888678185 /nfs/dbraw/zinc/67/81/85/888678185.db2.gz RHCSCDVKZSDHRJ-BXKDBHETSA-N 0 3 297.359 -1.489 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)no1 ZINC001392351576 888678235 /nfs/dbraw/zinc/67/82/35/888678235.db2.gz OSGHICUKTBMTBV-NXEZZACHSA-N 0 3 296.327 -1.058 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](O)CNCc1cncn1C ZINC001392350308 888678303 /nfs/dbraw/zinc/67/83/03/888678303.db2.gz OFWHIOKPZOWIPI-GFCCVEGCSA-N 0 3 297.359 -1.535 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccon1)C(N)=O ZINC001392353285 888678339 /nfs/dbraw/zinc/67/83/39/888678339.db2.gz FLXQRBUHLSFTPE-SFYZADRCSA-N 0 3 270.289 -1.381 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001392358300 888679317 /nfs/dbraw/zinc/67/93/17/888679317.db2.gz YWTZCKCYSWQKQW-VIFPVBQESA-N 0 3 297.319 -3.028 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)n1cccn1 ZINC001392356713 888679446 /nfs/dbraw/zinc/67/94/46/888679446.db2.gz PHSBHHLLXNJRAT-MNOVXSKESA-N 0 3 297.359 -1.353 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2cnsn2)C1=O ZINC001392356074 888679670 /nfs/dbraw/zinc/67/96/70/888679670.db2.gz NBMUOKHAPQSTOV-SFYZADRCSA-N 0 3 299.356 -1.551 20 0 CAADHN Cc1nnc(CNC[C@@H](O)CNC(=O)[C@H]2CCCN2C)[nH]1 ZINC001392360582 888680120 /nfs/dbraw/zinc/68/01/20/888680120.db2.gz FHDIFPMSYXDXMQ-GHMZBOCLSA-N 0 3 296.375 -1.226 20 0 CAADHN CC[C@@H](F)CNC[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001392360338 888680211 /nfs/dbraw/zinc/68/02/11/888680211.db2.gz OEOPLKDAKCHSDC-RKDXNWHRSA-N 0 3 284.353 -1.154 20 0 CAADHN O=C(CC(F)(F)F)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392355819 888680449 /nfs/dbraw/zinc/68/04/49/888680449.db2.gz FOAACXBNKZFHHZ-NKWVEPMBSA-N 0 3 283.250 -1.106 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)Cn1cccn1 ZINC001392353870 888680770 /nfs/dbraw/zinc/68/07/70/888680770.db2.gz OPLGALXUCNCJFG-NSHDSACASA-N 0 3 297.359 -1.526 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CNC(=O)OC ZINC001392354290 888680602 /nfs/dbraw/zinc/68/06/02/888680602.db2.gz HXNOFRMMOWTGMS-SSDOTTSWSA-N 0 3 276.293 -2.845 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)n1cccn1 ZINC001392356715 888680621 /nfs/dbraw/zinc/68/06/21/888680621.db2.gz PHSBHHLLXNJRAT-QWRGUYRKSA-N 0 3 297.359 -1.353 20 0 CAADHN O=C(CC(F)(F)F)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392355821 888680739 /nfs/dbraw/zinc/68/07/39/888680739.db2.gz FOAACXBNKZFHHZ-RNFRBKRXSA-N 0 3 283.250 -1.106 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCc1cncn1C ZINC001392353343 888680754 /nfs/dbraw/zinc/68/07/54/888680754.db2.gz RHCSCDVKZSDHRJ-JOYOIKCWSA-N 0 3 297.359 -1.489 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccc[nH]1)N1CCC1 ZINC001392355629 888680837 /nfs/dbraw/zinc/68/08/37/888680837.db2.gz RGYZIGGYKUGBLX-SNVBAGLBSA-N 0 3 280.328 -1.073 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)[nH]n1 ZINC001392355621 888681090 /nfs/dbraw/zinc/68/10/90/888681090.db2.gz LPAVIMMIXHQIEK-NXEZZACHSA-N 0 3 295.343 -1.371 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)c1ccn[nH]1)C1CC1 ZINC001392359306 888681215 /nfs/dbraw/zinc/68/12/15/888681215.db2.gz YWIDVOSZCYAPQK-JTQLQIEISA-N 0 3 295.343 -1.289 20 0 CAADHN Cc1nnc(CNC[C@H](O)CNC(=O)[C@@H]2CCCN2C)[nH]1 ZINC001392360585 888681252 /nfs/dbraw/zinc/68/12/52/888681252.db2.gz FHDIFPMSYXDXMQ-QWRGUYRKSA-N 0 3 296.375 -1.226 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccnn1C ZINC001392357588 888681282 /nfs/dbraw/zinc/68/12/82/888681282.db2.gz KKOWGUUDTXSPNL-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001392358671 888681370 /nfs/dbraw/zinc/68/13/70/888681370.db2.gz YFTSKLBSVVDRSR-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CN1CCCC1=O)C(N)=O ZINC001392356683 888681386 /nfs/dbraw/zinc/68/13/86/888681386.db2.gz ZMCPOKIVKRKEJS-RKDXNWHRSA-N 0 3 286.332 -2.451 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001392356404 888681671 /nfs/dbraw/zinc/68/16/71/888681671.db2.gz GWFYUXFTIRQYNG-PSASIEDQSA-N 0 3 273.333 -1.633 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)C1=CCOCC1 ZINC001392364463 888683300 /nfs/dbraw/zinc/68/33/00/888683300.db2.gz RTFFJVSXUJZMAR-LBPRGKRZSA-N 0 3 299.371 -1.076 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CN1CCOCC1)C(N)=O ZINC001392365859 888683470 /nfs/dbraw/zinc/68/34/70/888683470.db2.gz KQKDTITWFDPSQX-ZJUUUORDSA-N 0 3 288.348 -2.741 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001392363069 888683501 /nfs/dbraw/zinc/68/35/01/888683501.db2.gz GFVOVUHNSBKYTK-QMMMGPOBSA-N 0 3 282.300 -1.787 20 0 CAADHN O=C(Cc1ccon1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001392364700 888683866 /nfs/dbraw/zinc/68/38/66/888683866.db2.gz MIJSHKBCMQNEFT-QWRGUYRKSA-N 0 3 296.327 -1.438 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001392363968 888683995 /nfs/dbraw/zinc/68/39/95/888683995.db2.gz JEULDJLSQLIWBT-JTQLQIEISA-N 0 3 283.332 -1.893 20 0 CAADHN O=C(Cc1ccon1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001392364699 888684115 /nfs/dbraw/zinc/68/41/15/888684115.db2.gz MIJSHKBCMQNEFT-MNOVXSKESA-N 0 3 296.327 -1.438 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)CC(C)(C)O)C(N)=O ZINC001392366438 888684250 /nfs/dbraw/zinc/68/42/50/888684250.db2.gz GLXBNTMSQNFFCZ-RKDXNWHRSA-N 0 3 275.349 -1.522 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cn(C)cn1)C(N)=O ZINC001392366119 888684267 /nfs/dbraw/zinc/68/42/67/888684267.db2.gz LIIBIPVCFOSYEX-BDAKNGLRSA-N 0 3 283.332 -1.636 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)[nH]1 ZINC001392366336 888684305 /nfs/dbraw/zinc/68/43/05/888684305.db2.gz PKMRLHMGOFYMJJ-SNVBAGLBSA-N 0 3 295.343 -1.369 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001392363977 888684457 /nfs/dbraw/zinc/68/44/57/888684457.db2.gz JEULDJLSQLIWBT-SNVBAGLBSA-N 0 3 283.332 -1.893 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cncnc1 ZINC001392364868 888684491 /nfs/dbraw/zinc/68/44/91/888684491.db2.gz STVMBTSDRUHIQU-JTQLQIEISA-N 0 3 281.316 -1.755 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001392365827 888684727 /nfs/dbraw/zinc/68/47/27/888684727.db2.gz OKWAYYMZNSERNL-SECBINFHSA-N 0 3 283.332 -1.465 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ncoc1C)C(N)=O ZINC001392363342 888684809 /nfs/dbraw/zinc/68/48/09/888684809.db2.gz UOESXPJLNRLMJH-DTWKUNHWSA-N 0 3 284.316 -1.073 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1=CCOCC1)C(=O)N(C)C ZINC001392364852 888684905 /nfs/dbraw/zinc/68/49/05/888684905.db2.gz SSFMEJDSYWCCJM-JQWIXIFHSA-N 0 3 299.371 -1.124 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ncoc1C)C(N)=O ZINC001392363339 888684921 /nfs/dbraw/zinc/68/49/21/888684921.db2.gz UOESXPJLNRLMJH-BDAKNGLRSA-N 0 3 284.316 -1.073 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1c(C)ccn1C ZINC001392364652 888684955 /nfs/dbraw/zinc/68/49/55/888684955.db2.gz SMSXPNJHFHAPGU-JTQLQIEISA-N 0 3 282.344 -1.240 20 0 CAADHN Cn1nccc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392362571 888684990 /nfs/dbraw/zinc/68/49/90/888684990.db2.gz RYVPLTHILSGFJJ-RKDXNWHRSA-N 0 3 281.316 -2.011 20 0 CAADHN CCn1nccc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392366442 888685004 /nfs/dbraw/zinc/68/50/04/888685004.db2.gz ZFKBTBHXNSSATN-VHSXEESVSA-N 0 3 295.343 -1.528 20 0 CAADHN CCn1nccc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001392364000 888685085 /nfs/dbraw/zinc/68/50/85/888685085.db2.gz QNPHGHFOYPLJHF-BDAKNGLRSA-N 0 3 283.332 -1.543 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CC[C@@H]1CCOC1 ZINC001392365861 888685181 /nfs/dbraw/zinc/68/51/81/888685181.db2.gz OYVXTRCNAXPMDG-ZJUUUORDSA-N 0 3 273.333 -1.645 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cn(C)cn1)C(N)=O ZINC001392366132 888685194 /nfs/dbraw/zinc/68/51/94/888685194.db2.gz LIIBIPVCFOSYEX-IUCAKERBSA-N 0 3 283.332 -1.636 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)CC2(O)CCC2)n[nH]1 ZINC001392369663 888686307 /nfs/dbraw/zinc/68/63/07/888686307.db2.gz MUMCVQKLQPCWGC-SNVBAGLBSA-N 0 3 297.359 -1.015 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)c2cnnn2C)cn1 ZINC001392367599 888686373 /nfs/dbraw/zinc/68/63/73/888686373.db2.gz LVJIITYAGLFLSO-SNVBAGLBSA-N 0 3 293.331 -1.571 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1cnc(C)o1)C(N)=O ZINC001392370768 888686439 /nfs/dbraw/zinc/68/64/39/888686439.db2.gz AEYNUXJAWZSKGZ-GXSJLCMTSA-N 0 3 298.343 -1.144 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](O)CNCC(=O)NC(C)C ZINC001392372103 888686655 /nfs/dbraw/zinc/68/66/55/888686655.db2.gz GASWHLSUQLNAHN-SNVBAGLBSA-N 0 3 297.359 -1.077 20 0 CAADHN Cc1c(CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cnn1C ZINC001392374491 888686870 /nfs/dbraw/zinc/68/68/70/888686870.db2.gz CZEARXFZFLUXBG-KCJUWKMLSA-N 0 3 297.359 -1.788 20 0 CAADHN CC(C)(O)CC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001392369146 888687020 /nfs/dbraw/zinc/68/70/20/888687020.db2.gz QTJXOGZMSHVBIS-SNVBAGLBSA-N 0 3 287.360 -1.554 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001392374612 888687239 /nfs/dbraw/zinc/68/72/39/888687239.db2.gz DQAFRHWDZXICLW-BDAKNGLRSA-N 0 3 286.332 -2.723 20 0 CAADHN Cc1nnc(CC(=O)NC[C@H](O)CN[C@H]2CCNC2=O)o1 ZINC001392371431 888687544 /nfs/dbraw/zinc/68/75/44/888687544.db2.gz ZCGYFJUGTYODKL-BDAKNGLRSA-N 0 3 297.315 -2.124 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CNCC(N)=O)ncn1 ZINC001392375893 888687562 /nfs/dbraw/zinc/68/75/62/888687562.db2.gz NANPZJBJTCTOLC-SSDOTTSWSA-N 0 3 283.288 -2.349 20 0 CAADHN CC(C)(O)CC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001392369144 888687701 /nfs/dbraw/zinc/68/77/01/888687701.db2.gz QTJXOGZMSHVBIS-JTQLQIEISA-N 0 3 287.360 -1.554 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2)N1CCC1 ZINC001392372271 888687708 /nfs/dbraw/zinc/68/77/08/888687708.db2.gz CUBVXHABSDTCRK-MJVIPROJSA-N 0 3 297.355 -1.678 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccnn1C1CCC1 ZINC001392372091 888687763 /nfs/dbraw/zinc/68/77/63/888687763.db2.gz FWVIMGBKRMXTLH-SNVBAGLBSA-N 0 3 295.343 -1.226 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCn1ccnn1 ZINC001392368148 888687769 /nfs/dbraw/zinc/68/77/69/888687769.db2.gz NPYVEAIUCLFXLN-QMMMGPOBSA-N 0 3 270.293 -2.780 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1nccc(C)n1)C(N)=O ZINC001392370524 888687786 /nfs/dbraw/zinc/68/77/86/888687786.db2.gz YIZFZBNPVWLWQC-VHSXEESVSA-N 0 3 295.343 -1.271 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1ncc[nH]1 ZINC001392367775 888688045 /nfs/dbraw/zinc/68/80/45/888688045.db2.gz FPUBXVXSPDFMKA-IUCAKERBSA-N 0 3 281.316 -1.631 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001392367495 888688124 /nfs/dbraw/zinc/68/81/24/888688124.db2.gz DYDFJRXFUMZRQD-SSDOTTSWSA-N 0 3 270.293 -2.759 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CNCc2ccnn2C)nn1 ZINC001392371412 888688130 /nfs/dbraw/zinc/68/81/30/888688130.db2.gz YWFWCROIBOBGGA-JTQLQIEISA-N 0 3 293.331 -1.571 20 0 CAADHN CCn1ccc(CC(=O)NC[C@@H](O)CNCC(=O)NC)n1 ZINC001392374195 888688218 /nfs/dbraw/zinc/68/82/18/888688218.db2.gz GQUDFWDLSKSAFA-NSHDSACASA-N 0 3 297.359 -1.742 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cnnn1C ZINC001392369962 888688233 /nfs/dbraw/zinc/68/82/33/888688233.db2.gz UPQXKDXKNZXRRK-SECBINFHSA-N 0 3 298.347 -1.980 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cc[nH]c1)NC1CC1 ZINC001392379794 888689769 /nfs/dbraw/zinc/68/97/69/888689769.db2.gz SDDQEZDGXDUEBS-NSHDSACASA-N 0 3 280.328 -1.026 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1cccnc1)C(N)=O ZINC001392383727 888689791 /nfs/dbraw/zinc/68/97/91/888689791.db2.gz GRVQIHJWFYUJHE-PWSUYJOCSA-N 0 3 294.355 -1.045 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccnn1C(C)C ZINC001392377010 888689954 /nfs/dbraw/zinc/68/99/54/888689954.db2.gz PHDIZYSIYITJRH-SNVBAGLBSA-N 0 3 297.359 -1.110 20 0 CAADHN CCOCC1(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001392384412 888690087 /nfs/dbraw/zinc/69/00/87/888690087.db2.gz VSZSQHYDEYMKSU-MNOVXSKESA-N 0 3 299.371 -1.242 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001392381555 888690169 /nfs/dbraw/zinc/69/01/69/888690169.db2.gz JTSWLDSOMSVUDF-DJLDLDEBSA-N 0 3 281.316 -1.935 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1(c2ccccn2)CC1 ZINC001392378182 888690286 /nfs/dbraw/zinc/69/02/86/888690286.db2.gz VDQGTGLOVKLUTN-JTQLQIEISA-N 0 3 292.339 -1.335 20 0 CAADHN CN(C)c1cnc(C(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001392376960 888690397 /nfs/dbraw/zinc/69/03/97/888690397.db2.gz QCGRDGKYGSVKMR-MRVPVSSYSA-N 0 3 296.331 -2.292 20 0 CAADHN COCC(C)(C)C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392384805 888690427 /nfs/dbraw/zinc/69/04/27/888690427.db2.gz CQMUNUOUTPIMSF-NXEZZACHSA-N 0 3 287.360 -1.386 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001392379331 888690504 /nfs/dbraw/zinc/69/05/04/888690504.db2.gz DYOTVKSNZGCFBX-MRVPVSSYSA-N 0 3 297.315 -2.421 20 0 CAADHN CCc1nn(C)cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001392382226 888690556 /nfs/dbraw/zinc/69/05/56/888690556.db2.gz KBEUZRMBRLDXRS-QMMMGPOBSA-N 0 3 283.332 -1.852 20 0 CAADHN O=C(Cc1cncs1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392387801 888690666 /nfs/dbraw/zinc/69/06/66/888690666.db2.gz UEIFSSBYYPYDRJ-PSASIEDQSA-N 0 3 298.368 -1.359 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccsn1 ZINC001392382519 888690680 /nfs/dbraw/zinc/69/06/80/888690680.db2.gz KGOBUFJLZKLHCT-QMMMGPOBSA-N 0 3 286.357 -1.041 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccnc(OC)c1 ZINC001392378796 888690725 /nfs/dbraw/zinc/69/07/25/888690725.db2.gz HPTLHVJYYGZMES-JTQLQIEISA-N 0 3 296.327 -1.484 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)nn1 ZINC001392376736 888690780 /nfs/dbraw/zinc/69/07/80/888690780.db2.gz OWWJTVOZVFKNKK-ZJUUUORDSA-N 0 3 293.327 -1.646 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](OC)C1CCC1 ZINC001392386399 888690925 /nfs/dbraw/zinc/69/09/25/888690925.db2.gz FWXRKGPIXWUXSF-ZYHUDNBSSA-N 0 3 287.360 -1.386 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](OC)C1CCC1 ZINC001392386396 888691303 /nfs/dbraw/zinc/69/13/03/888691303.db2.gz FWXRKGPIXWUXSF-PWSUYJOCSA-N 0 3 287.360 -1.386 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001392390433 888692861 /nfs/dbraw/zinc/69/28/61/888692861.db2.gz GUEJZVWKQXUQOC-YUMQZZPRSA-N 0 3 297.315 -2.415 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001392397117 888692981 /nfs/dbraw/zinc/69/29/81/888692981.db2.gz XBNNNQKDRCCDQI-HTQZYQBOSA-N 0 3 299.331 -2.017 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cccnc1C ZINC001392396761 888693077 /nfs/dbraw/zinc/69/30/77/888693077.db2.gz UNNVXHYKJBLSRI-SNVBAGLBSA-N 0 3 280.328 -1.184 20 0 CAADHN O=C(COCC(F)F)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392393104 888693173 /nfs/dbraw/zinc/69/31/73/888693173.db2.gz HFGLJQHBQKFUDQ-HTQZYQBOSA-N 0 3 295.286 -1.777 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C1(COC)CC1 ZINC001392394059 888693201 /nfs/dbraw/zinc/69/32/01/888693201.db2.gz STSMCUUKQYYWGP-VHSXEESVSA-N 0 3 287.360 -1.386 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001392396403 888693277 /nfs/dbraw/zinc/69/32/77/888693277.db2.gz VNIXRJGOFUFALJ-RKDXNWHRSA-N 0 3 288.348 -2.347 20 0 CAADHN COC1CC(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)C1 ZINC001392392861 888693539 /nfs/dbraw/zinc/69/35/39/888693539.db2.gz YATAORANHZSHQZ-YVNMAJEFSA-N 0 3 287.360 -1.434 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001392395826 888693738 /nfs/dbraw/zinc/69/37/38/888693738.db2.gz HVYLTWXJLMICMH-ZETCQYMHSA-N 0 3 285.308 -2.974 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001392396050 888693886 /nfs/dbraw/zinc/69/38/86/888693886.db2.gz LMHIDFANJAANSY-JYMMUIJESA-N 0 3 297.355 -1.778 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)Cc2cnoc2)C1=O ZINC001392392213 888694032 /nfs/dbraw/zinc/69/40/32/888694032.db2.gz MEAPHEFZTHCKFN-QWRGUYRKSA-N 0 3 296.327 -1.486 20 0 CAADHN CO[C@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C)C(C)C ZINC001392390707 888694356 /nfs/dbraw/zinc/69/43/56/888694356.db2.gz HBFDPSSEZDJEEN-PWSUYJOCSA-N 0 3 289.376 -1.188 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001392396293 888694393 /nfs/dbraw/zinc/69/43/93/888694393.db2.gz VVPPZEJQNSSVCL-GXSJLCMTSA-N 0 3 296.327 -1.106 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001392395839 888694465 /nfs/dbraw/zinc/69/44/65/888694465.db2.gz VNIXRJGOFUFALJ-BDAKNGLRSA-N 0 3 288.348 -2.347 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001392396402 888694481 /nfs/dbraw/zinc/69/44/81/888694481.db2.gz VNIXRJGOFUFALJ-IUCAKERBSA-N 0 3 288.348 -2.347 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cccnc1C ZINC001392396760 888694501 /nfs/dbraw/zinc/69/45/01/888694501.db2.gz UNNVXHYKJBLSRI-JTQLQIEISA-N 0 3 280.328 -1.184 20 0 CAADHN COc1cnc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)nc1 ZINC001392391244 888694644 /nfs/dbraw/zinc/69/46/44/888694644.db2.gz UIKOETXGKZUCEB-JGVFFNPUSA-N 0 3 297.315 -1.961 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CNCc2ccnn2C)n1 ZINC001392393810 888694663 /nfs/dbraw/zinc/69/46/63/888694663.db2.gz FBENTLRDNSEXSP-VIFPVBQESA-N 0 3 294.319 -2.176 20 0 CAADHN COCc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)o1 ZINC001392389340 888694817 /nfs/dbraw/zinc/69/48/17/888694817.db2.gz QACMMXWSEPSEPJ-MRVPVSSYSA-N 0 3 285.300 -1.408 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001392395869 888694925 /nfs/dbraw/zinc/69/49/25/888694925.db2.gz HZKMUMZAYVQHHW-ZIQFBCGOSA-N 0 3 297.355 -1.776 20 0 CAADHN COc1cnc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)nc1 ZINC001392391250 888695278 /nfs/dbraw/zinc/69/52/78/888695278.db2.gz UIKOETXGKZUCEB-YUMQZZPRSA-N 0 3 297.315 -1.961 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)ccn1C ZINC001392405047 888696266 /nfs/dbraw/zinc/69/62/66/888696266.db2.gz SUFKHUGIJSGEOB-WCBMZHEXSA-N 0 3 282.344 -1.112 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001392397727 888696405 /nfs/dbraw/zinc/69/64/05/888696405.db2.gz WUAKJIOHSAJQPP-SFYZADRCSA-N 0 3 287.320 -3.177 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1cccnn1 ZINC001392408102 888696430 /nfs/dbraw/zinc/69/64/30/888696430.db2.gz AXLWOMVGMCMYMI-NXEZZACHSA-N 0 3 293.327 -1.565 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1c(C)cnn1C ZINC001392402885 888696501 /nfs/dbraw/zinc/69/65/01/888696501.db2.gz WYHIJUJFHOCLNY-UWVGGRQHSA-N 0 3 297.359 -1.457 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNCc1nncn1C)N(C)C ZINC001392403208 888696630 /nfs/dbraw/zinc/69/66/30/888696630.db2.gz TZXLUQHWRLRNHD-MNOVXSKESA-N 0 3 298.391 -1.278 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)CCCF ZINC001392397733 888696789 /nfs/dbraw/zinc/69/67/89/888696789.db2.gz MLTYHQVKRQSABZ-QMMMGPOBSA-N 0 3 292.311 -1.742 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1cccnn1 ZINC001392408108 888696809 /nfs/dbraw/zinc/69/68/09/888696809.db2.gz AXLWOMVGMCMYMI-UWVGGRQHSA-N 0 3 293.327 -1.565 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cncc(OC)n1 ZINC001392407641 888696978 /nfs/dbraw/zinc/69/69/78/888696978.db2.gz JBPRARFMTZSPKK-MRVPVSSYSA-N 0 3 297.315 -2.089 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ocnc1C1CC1 ZINC001392398918 888697458 /nfs/dbraw/zinc/69/74/58/888697458.db2.gz CWXQGRBIZDQFGE-SECBINFHSA-N 0 3 296.327 -1.022 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@H](O)CNCC(=O)N(C)C)[nH]1 ZINC001392402542 888697624 /nfs/dbraw/zinc/69/76/24/888697624.db2.gz PTXSKAWBENXDTH-SNVBAGLBSA-N 0 3 297.359 -1.205 20 0 CAADHN Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001392399278 888697675 /nfs/dbraw/zinc/69/76/75/888697675.db2.gz FZQVPJXOLSDBGL-GARJFASQSA-N 0 3 295.343 -1.924 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392403419 888697866 /nfs/dbraw/zinc/69/78/66/888697866.db2.gz XTYVSYUHDHVODR-NXEZZACHSA-N 0 3 295.343 -1.703 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CNCc2ccnn2C)n1 ZINC001392408482 888697938 /nfs/dbraw/zinc/69/79/38/888697938.db2.gz IVLRJBLRJKUJMP-JTQLQIEISA-N 0 3 293.331 -1.571 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001392406111 888697954 /nfs/dbraw/zinc/69/79/54/888697954.db2.gz ADZLKZYTLOWHFN-NSHDSACASA-N 0 3 297.359 -1.654 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001392398986 888697997 /nfs/dbraw/zinc/69/79/97/888697997.db2.gz QHOBDQJRVSEBPZ-LOWVWBTDSA-N 0 3 299.371 -1.386 20 0 CAADHN Cc1cc(CNC[C@@H](O)CNC(=O)c2nnc[nH]2)ncn1 ZINC001392408921 888698136 /nfs/dbraw/zinc/69/81/36/888698136.db2.gz KAORTXJEKALRSL-SNVBAGLBSA-N 0 3 291.315 -1.216 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001392398987 888698295 /nfs/dbraw/zinc/69/82/95/888698295.db2.gz QHOBDQJRVSEBPZ-WZRBSPASSA-N 0 3 299.371 -1.386 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNCc1nncn1C)N(C)C ZINC001392403228 888698345 /nfs/dbraw/zinc/69/83/45/888698345.db2.gz TZXLUQHWRLRNHD-QWRGUYRKSA-N 0 3 298.391 -1.278 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1n[nH]cc1F)N1CCC1 ZINC001392404458 888698690 /nfs/dbraw/zinc/69/86/90/888698690.db2.gz RBTDKFNMBBBZIC-QMMMGPOBSA-N 0 3 299.306 -1.539 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)ccn1C ZINC001392405051 888698755 /nfs/dbraw/zinc/69/87/55/888698755.db2.gz SUFKHUGIJSGEOB-WPRPVWTQSA-N 0 3 282.344 -1.112 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CNCc2cncs2)n1 ZINC001392402196 888698788 /nfs/dbraw/zinc/69/87/88/888698788.db2.gz UZMPOMKGIIZNAY-SSDOTTSWSA-N 0 3 297.344 -1.453 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392403420 888698985 /nfs/dbraw/zinc/69/89/85/888698985.db2.gz XTYVSYUHDHVODR-UWVGGRQHSA-N 0 3 295.343 -1.703 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1cccnn1 ZINC001392408113 888699176 /nfs/dbraw/zinc/69/91/76/888699176.db2.gz AXLWOMVGMCMYMI-VHSXEESVSA-N 0 3 293.327 -1.565 20 0 CAADHN Cc1nn[nH]c1C(=O)NC[C@@H](O)CNCc1cnnn1C ZINC001392397281 888699235 /nfs/dbraw/zinc/69/92/35/888699235.db2.gz XFLKKJHYHIFILP-VIFPVBQESA-N 0 3 294.319 -1.878 20 0 CAADHN CCc1oncc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001392413159 888700277 /nfs/dbraw/zinc/70/02/77/888700277.db2.gz NVJNTVSTRNWMII-HTQZYQBOSA-N 0 3 284.316 -1.209 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(OC)o1 ZINC001392409105 888700486 /nfs/dbraw/zinc/70/04/86/888700486.db2.gz CIANWAOCVIDCIN-MRVPVSSYSA-N 0 3 285.300 -1.286 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1cnon1 ZINC001392413438 888700994 /nfs/dbraw/zinc/70/09/94/888700994.db2.gz RWUCZKAYVWZSEA-SFYZADRCSA-N 0 3 283.288 -1.972 20 0 CAADHN COc1ccccc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001392420277 888701064 /nfs/dbraw/zinc/70/10/64/888701064.db2.gz OBYSHJFFJXDOFN-SECBINFHSA-N 0 3 281.312 -1.139 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1ncc[nH]1)C(=O)N(C)C ZINC001392412283 888701275 /nfs/dbraw/zinc/70/12/75/888701275.db2.gz VGESSBOHRLMWRE-ZJUUUORDSA-N 0 3 297.359 -1.504 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)cc1 ZINC001392415793 888701308 /nfs/dbraw/zinc/70/13/08/888701308.db2.gz GEITXPRFUICRPE-SNVBAGLBSA-N 0 3 281.312 -1.139 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1[nH]nc2ccccc21 ZINC001392415300 888701340 /nfs/dbraw/zinc/70/13/40/888701340.db2.gz DCFZYYUNAVYIGC-MRVPVSSYSA-N 0 3 291.311 -1.272 20 0 CAADHN CCc1oncc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392413534 888701546 /nfs/dbraw/zinc/70/15/46/888701546.db2.gz QSBGLDAVIGTUQD-WPRPVWTQSA-N 0 3 296.327 -1.194 20 0 CAADHN Cc1nonc1CC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392410797 888701593 /nfs/dbraw/zinc/70/15/93/888701593.db2.gz OTHGSYINMBLJHN-RKDXNWHRSA-N 0 3 297.315 -2.124 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@]1(C)CCOC1 ZINC001392409459 888701616 /nfs/dbraw/zinc/70/16/16/888701616.db2.gz KYSBVCRHZFXUAJ-GXFFZTMASA-N 0 3 287.360 -1.432 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1nocc1C)C(N)=O ZINC001392416437 888701941 /nfs/dbraw/zinc/70/19/41/888701941.db2.gz CMLRYLHTEOPOGP-BDAKNGLRSA-N 0 3 284.316 -1.073 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c(=O)[nH]1 ZINC001392409730 888702000 /nfs/dbraw/zinc/70/20/00/888702000.db2.gz UITIFGBDXXTYLL-IUCAKERBSA-N 0 3 296.327 -1.350 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cn(CC)nn1)C(N)=O ZINC001392409346 888702056 /nfs/dbraw/zinc/70/20/56/888702056.db2.gz KFAVMAXHOUFVOV-BDAKNGLRSA-N 0 3 298.347 -1.758 20 0 CAADHN O=C(Cn1cncn1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392416837 888702074 /nfs/dbraw/zinc/70/20/74/888702074.db2.gz DTWFZDINSJCIGC-DTWKUNHWSA-N 0 3 282.304 -2.767 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001392409918 888702227 /nfs/dbraw/zinc/70/22/27/888702227.db2.gz NMTBTWKMDSJPGZ-RKDXNWHRSA-N 0 3 283.332 -1.847 20 0 CAADHN COc1c(C(=O)NC[C@@H](O)CNCC(N)=O)c(C)nn1C ZINC001392412442 888702395 /nfs/dbraw/zinc/70/23/95/888702395.db2.gz LLPKHZLHEGAHAP-QMMMGPOBSA-N 0 3 299.331 -2.097 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@]1(C)CCOC1 ZINC001392409461 888702439 /nfs/dbraw/zinc/70/24/39/888702439.db2.gz KYSBVCRHZFXUAJ-ZWNOBZJWSA-N 0 3 287.360 -1.432 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cn(CC)nn1)C(N)=O ZINC001392409350 888702611 /nfs/dbraw/zinc/70/26/11/888702611.db2.gz KFAVMAXHOUFVOV-DTWKUNHWSA-N 0 3 298.347 -1.758 20 0 CAADHN O=C(Cn1cncn1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392416845 888702518 /nfs/dbraw/zinc/70/25/18/888702518.db2.gz DTWFZDINSJCIGC-RKDXNWHRSA-N 0 3 282.304 -2.767 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnon1)NC1CC1 ZINC001392412440 888702582 /nfs/dbraw/zinc/70/25/82/888702582.db2.gz MKNPGROIRLBGEA-QMMMGPOBSA-N 0 3 283.288 -1.972 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)o1 ZINC001392413517 888702711 /nfs/dbraw/zinc/70/27/11/888702711.db2.gz SQYVSDUQEYCDCM-JGVFFNPUSA-N 0 3 285.300 -1.158 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c(=O)[nH]1 ZINC001392409726 888702729 /nfs/dbraw/zinc/70/27/29/888702729.db2.gz UITIFGBDXXTYLL-BDAKNGLRSA-N 0 3 296.327 -1.350 20 0 CAADHN Cn1ccnc1CNC[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001392418290 888702771 /nfs/dbraw/zinc/70/27/71/888702771.db2.gz FZBMUWZYQIXDLW-VIFPVBQESA-N 0 3 293.331 -1.652 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@H](O)CNCC(N)=O)c[nH]1 ZINC001392415906 888702866 /nfs/dbraw/zinc/70/28/66/888702866.db2.gz BXPAPSKYINJIHB-MRVPVSSYSA-N 0 3 282.300 -2.151 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001392414279 888703178 /nfs/dbraw/zinc/70/31/78/888703178.db2.gz AEOKATGMWMNDPU-SNVBAGLBSA-N 0 3 297.359 -1.584 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1cnon1 ZINC001392413432 888703436 /nfs/dbraw/zinc/70/34/36/888703436.db2.gz RWUCZKAYVWZSEA-HTQZYQBOSA-N 0 3 283.288 -1.972 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@]1(C)CCOC1 ZINC001392409458 888703545 /nfs/dbraw/zinc/70/35/45/888703545.db2.gz KYSBVCRHZFXUAJ-GWCFXTLKSA-N 0 3 287.360 -1.432 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ncccc1F ZINC001392412697 888703890 /nfs/dbraw/zinc/70/38/90/888703890.db2.gz MYTHJQQPSMYYCL-WCBMZHEXSA-N 0 3 296.302 -1.211 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CNC(=O)OC ZINC001392440675 888704710 /nfs/dbraw/zinc/70/47/10/888704710.db2.gz KWHLCIDTRBOPLN-MRVPVSSYSA-N 0 3 274.321 -1.346 20 0 CAADHN Cc1conc1CNC[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001392428479 888704911 /nfs/dbraw/zinc/70/49/11/888704911.db2.gz SCSIGDUEZKFPSH-SECBINFHSA-N 0 3 294.315 -1.089 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)Cn2ccnc2)C1=O ZINC001392426689 888705723 /nfs/dbraw/zinc/70/57/23/888705723.db2.gz LBVYUKIPLBEFOP-MNOVXSKESA-N 0 3 295.343 -1.820 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001392424861 888705891 /nfs/dbraw/zinc/70/58/91/888705891.db2.gz SBVMBZNRDBZJAA-WCBMZHEXSA-N 0 3 296.327 -1.398 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNCc1cnn(C)n1)N(C)C ZINC001392425441 888706260 /nfs/dbraw/zinc/70/62/60/888706260.db2.gz WLSUDXIOGDWJTR-NEPJUHHUSA-N 0 3 298.391 -1.278 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CNC(=O)OC ZINC001392440678 888706521 /nfs/dbraw/zinc/70/65/21/888706521.db2.gz KWHLCIDTRBOPLN-QMMMGPOBSA-N 0 3 274.321 -1.346 20 0 CAADHN Cc1cnn(CCC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c1 ZINC001392425977 888706569 /nfs/dbraw/zinc/70/65/69/888706569.db2.gz KBIWUEBKUCYMDB-MNOVXSKESA-N 0 3 297.359 -1.478 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001392429208 888706774 /nfs/dbraw/zinc/70/67/74/888706774.db2.gz SVWSGHVCXNNAKO-JGVFFNPUSA-N 0 3 297.315 -2.666 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNCc1cnn(C)n1)N(C)C ZINC001392425445 888707220 /nfs/dbraw/zinc/70/72/20/888707220.db2.gz WLSUDXIOGDWJTR-NWDGAFQWSA-N 0 3 298.391 -1.278 20 0 CAADHN CC(C)c1ncncc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001392427677 888707328 /nfs/dbraw/zinc/70/73/28/888707328.db2.gz PBQMDAFDADZSIX-VIFPVBQESA-N 0 3 295.343 -1.234 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)Cn1ccnc1)NC1CC1 ZINC001392430424 888707749 /nfs/dbraw/zinc/70/77/49/888707749.db2.gz RBGPLKBEQUUYIK-LLVKDONJSA-N 0 3 295.343 -1.772 20 0 CAADHN Cc1conc1CNC[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001392428480 888707885 /nfs/dbraw/zinc/70/78/85/888707885.db2.gz SCSIGDUEZKFPSH-VIFPVBQESA-N 0 3 294.315 -1.089 20 0 CAADHN O=C(C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[n-]1)NC1CC1 ZINC001392426437 888707932 /nfs/dbraw/zinc/70/79/32/888707932.db2.gz OOSYJNNACFWICC-VIFPVBQESA-N 0 3 296.331 -2.308 20 0 CAADHN COCC(=O)N[C@H](C)CNCC(=O)N1CCO[C@@H](C)C1 ZINC001392458493 888709656 /nfs/dbraw/zinc/70/96/56/888709656.db2.gz MPXHDFLEHDZAHU-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001392463830 888709737 /nfs/dbraw/zinc/70/97/37/888709737.db2.gz CPPWCTKFZIMTMS-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CN1CCCNC1=O ZINC001392450895 888709873 /nfs/dbraw/zinc/70/98/73/888709873.db2.gz WNODVGDDITZPAU-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C[C@@H](C)OC ZINC001392467408 888710058 /nfs/dbraw/zinc/71/00/58/888710058.db2.gz UGHCXQWPPVEBHD-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H](C)NC(N)=O ZINC001392440880 888710358 /nfs/dbraw/zinc/71/03/58/888710358.db2.gz DQGHIIBHLWUFOC-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)COC ZINC001392460424 888710377 /nfs/dbraw/zinc/71/03/77/888710377.db2.gz RESPAFYXPSXMSD-HTQZYQBOSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CN1CCOCC1 ZINC001392472292 888710451 /nfs/dbraw/zinc/71/04/51/888710451.db2.gz WKOSMUOLCZRYAM-NXEZZACHSA-N 0 3 272.349 -1.713 20 0 CAADHN CCn1ncc(C(=O)N[C@H](C)CN[C@H]2CCNC2=O)n1 ZINC001392473275 888710586 /nfs/dbraw/zinc/71/05/86/888710586.db2.gz BPZDWKZBMBSMTM-BDAKNGLRSA-N 0 3 280.332 -1.106 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CN(C)C(C)=O ZINC001392443331 888710712 /nfs/dbraw/zinc/71/07/12/888710712.db2.gz YKQVYQZKYYMPGF-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)COC ZINC001392460426 888710793 /nfs/dbraw/zinc/71/07/93/888710793.db2.gz RESPAFYXPSXMSD-SFYZADRCSA-N 0 3 274.321 -1.429 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001392452075 888710811 /nfs/dbraw/zinc/71/08/11/888710811.db2.gz FVFYCNMEFINZIO-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCn1cncn1 ZINC001392460182 888710892 /nfs/dbraw/zinc/71/08/92/888710892.db2.gz ZJUMJMSXMCSDFN-NXEZZACHSA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)CN1CCCC1=O ZINC001392457770 888711426 /nfs/dbraw/zinc/71/14/26/888711426.db2.gz LHKBXRQHLPKVGK-SNVBAGLBSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(C)[C@@H](O)C(=O)N[C@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001392474192 888711654 /nfs/dbraw/zinc/71/16/54/888711654.db2.gz KJEHRTUAUWFMAD-HRDYMLBCSA-N 0 3 288.348 -1.319 20 0 CAADHN C[C@H](CNCC(=O)N1CCOCC1)NC(=O)[C@H]1CCOC1 ZINC001392467003 888711701 /nfs/dbraw/zinc/71/17/01/888711701.db2.gz WJPYZNNOAOKZSM-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H](CNCC(=O)N1CCOCC1)NC(=O)c1cn[nH]c1 ZINC001392466333 888711793 /nfs/dbraw/zinc/71/17/93/888711793.db2.gz PVJLGYIPBLEQHK-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001392466690 888711944 /nfs/dbraw/zinc/71/19/44/888711944.db2.gz PRRWJZDVTPVLKY-GMTAPVOTSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001392468994 888712003 /nfs/dbraw/zinc/71/20/03/888712003.db2.gz SRKKFIOITVHFJY-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001392452079 888712064 /nfs/dbraw/zinc/71/20/64/888712064.db2.gz FVFYCNMEFINZIO-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)CNC(=O)OC ZINC001392465257 888712136 /nfs/dbraw/zinc/71/21/36/888712136.db2.gz JXQLJJAWANWXAJ-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@H](CNCC(=O)N1CCOCC1)NC(=O)c1ccn[nH]1 ZINC001392467773 888712389 /nfs/dbraw/zinc/71/23/89/888712389.db2.gz NNVSXDKMHUJQMW-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001392476211 888712415 /nfs/dbraw/zinc/71/24/15/888712415.db2.gz OLGNLVDXBMAANB-CSMHCCOUSA-N 0 3 273.337 -1.599 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cn[nH]c1 ZINC001392464242 888712507 /nfs/dbraw/zinc/71/25/07/888712507.db2.gz DPLXIHQETUAZHL-SFYZADRCSA-N 0 3 296.331 -1.038 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001392451624 888712752 /nfs/dbraw/zinc/71/27/52/888712752.db2.gz BXVDUYSTQJFXLU-AEJSXWLSSA-N 0 3 284.360 -1.320 20 0 CAADHN CCCN1C[C@H](C(=O)N[C@H](C)CNCC(N)=O)CC1=O ZINC001392512670 888713927 /nfs/dbraw/zinc/71/39/27/888713927.db2.gz UKHWWMPNMIOQEA-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN Cc1ccnn1CC(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001392513377 888714024 /nfs/dbraw/zinc/71/40/24/888714024.db2.gz YRLYNIDAPRQQIJ-MRVPVSSYSA-N 0 3 296.331 -1.519 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cnc2n[nH]nc2c1 ZINC001392479849 888714055 /nfs/dbraw/zinc/71/40/55/888714055.db2.gz ISHLWELDYXJOAH-SSDOTTSWSA-N 0 3 291.315 -1.193 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCNS(C)(=O)=O ZINC001392489013 888714128 /nfs/dbraw/zinc/71/41/28/888714128.db2.gz WAKOKMVPGXRHEQ-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001392506781 888714370 /nfs/dbraw/zinc/71/43/70/888714370.db2.gz SQNPMYVVYLJCDO-BDAKNGLRSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1ncccn1 ZINC001392516466 888714459 /nfs/dbraw/zinc/71/44/59/888714459.db2.gz XYKDODJUVBRESN-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)c1cnnn1C ZINC001392477754 888714575 /nfs/dbraw/zinc/71/45/75/888714575.db2.gz QQAKZUADABHSJI-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CNC(=O)NC ZINC001392488301 888714633 /nfs/dbraw/zinc/71/46/33/888714633.db2.gz SDYKFMKLPUSKBY-MRVPVSSYSA-N 0 3 273.337 -1.854 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)COCc1nncn1C ZINC001392519964 888714747 /nfs/dbraw/zinc/71/47/47/888714747.db2.gz PCFABRRVLOBCFE-SECBINFHSA-N 0 3 298.347 -1.828 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001392508344 888714775 /nfs/dbraw/zinc/71/47/75/888714775.db2.gz XNBPZFDJTOBCJC-PSASIEDQSA-N 0 3 297.359 -1.617 20 0 CAADHN CCCN(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001392517675 888714815 /nfs/dbraw/zinc/71/48/15/888714815.db2.gz FAKXLPLYCNQCPO-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN Cc1cncn1CC(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001392499203 888714853 /nfs/dbraw/zinc/71/48/53/888714853.db2.gz YZESVMTYNBBREW-MRVPVSSYSA-N 0 3 296.331 -1.519 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001392493874 888714889 /nfs/dbraw/zinc/71/48/89/888714889.db2.gz HHCDCIAAVUAUJX-RKDXNWHRSA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001392506848 888714960 /nfs/dbraw/zinc/71/49/60/888714960.db2.gz NNEMSDNMBRYUDW-RQJHMYQMSA-N 0 3 297.319 -2.616 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CNCc1n[nH]c(C)n1 ZINC001392485410 888715351 /nfs/dbraw/zinc/71/53/51/888715351.db2.gz BJBZUNZVZUWJOT-SSDOTTSWSA-N 0 3 283.336 -1.364 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001392488899 888715512 /nfs/dbraw/zinc/71/55/12/888715512.db2.gz IYEQOERESZQGFV-RKDXNWHRSA-N 0 3 298.347 -2.060 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccnc2n[nH]nc21 ZINC001392492964 888715652 /nfs/dbraw/zinc/71/56/52/888715652.db2.gz DNEZVPIFARNZOF-SSDOTTSWSA-N 0 3 291.315 -1.193 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001392493871 888715942 /nfs/dbraw/zinc/71/59/42/888715942.db2.gz HHCDCIAAVUAUJX-BDAKNGLRSA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001392498473 888716154 /nfs/dbraw/zinc/71/61/54/888716154.db2.gz TWYVVGXHKFXTGF-MRVPVSSYSA-N 0 3 284.320 -2.449 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392505339 888716333 /nfs/dbraw/zinc/71/63/33/888716333.db2.gz YZQBSKMCNSOEEV-ZJUUUORDSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cccn2c1n[nH]c2=O ZINC001392522725 888716871 /nfs/dbraw/zinc/71/68/71/888716871.db2.gz CZXNPLCCUDYXRC-SSDOTTSWSA-N 0 3 292.299 -1.372 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)Cn1ncnn1 ZINC001392477942 888717109 /nfs/dbraw/zinc/71/71/09/888717109.db2.gz SUYOUSVYBPAEKC-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001392534972 888718195 /nfs/dbraw/zinc/71/81/95/888718195.db2.gz GUABTPVTIUEBQZ-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001392549428 888718326 /nfs/dbraw/zinc/71/83/26/888718326.db2.gz LJLFNYZTADDJTD-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN CCOCC(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001392542483 888718566 /nfs/dbraw/zinc/71/85/66/888718566.db2.gz LGDSIKZABXIVEK-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCCC(N)=O ZINC001392536573 888718827 /nfs/dbraw/zinc/71/88/27/888718827.db2.gz LIOLNWGCWTTXED-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1COCCO1 ZINC001392546426 888718915 /nfs/dbraw/zinc/71/89/15/888718915.db2.gz DLYSEKWLZWKHOT-DTWKUNHWSA-N 0 3 299.331 -1.882 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)Cc1cc[nH]n1 ZINC001392551890 888719034 /nfs/dbraw/zinc/71/90/34/888719034.db2.gz FUIMUUGPPMIQCB-QMMMGPOBSA-N 0 3 296.331 -1.498 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H](C)NC(N)=O ZINC001392555214 888719170 /nfs/dbraw/zinc/71/91/70/888719170.db2.gz RDXJBOKTUGAWCG-BIIVOSGPSA-N 0 3 271.321 -1.974 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)Cn1cncn1 ZINC001392532687 888719274 /nfs/dbraw/zinc/71/92/74/888719274.db2.gz OVQGMZHTJZMMJN-NXEZZACHSA-N 0 3 280.332 -1.397 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CNC(=O)c1ccccn1 ZINC001392538208 888719528 /nfs/dbraw/zinc/71/95/28/888719528.db2.gz VALHTOKEQRZBKI-SECBINFHSA-N 0 3 293.327 -1.609 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)Cn1cncn1 ZINC001392532276 888719672 /nfs/dbraw/zinc/71/96/72/888719672.db2.gz LXLURYPLRUWNCW-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cn(C)nn1 ZINC001392558314 888720072 /nfs/dbraw/zinc/72/00/72/888720072.db2.gz SPBYIQHZOZRNHM-ZETCQYMHSA-N 0 3 294.319 -1.855 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CS(C)(=O)=O ZINC001392548077 888720188 /nfs/dbraw/zinc/72/01/88/888720188.db2.gz LGCVNKYZASXRMB-QMMMGPOBSA-N 0 3 279.362 -1.787 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCc1cn(C)nn1 ZINC001392537605 888720205 /nfs/dbraw/zinc/72/02/05/888720205.db2.gz MYQCTBIRDWRRBJ-RKDXNWHRSA-N 0 3 282.348 -1.284 20 0 CAADHN CCOCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(=O)NC ZINC001392543348 888720218 /nfs/dbraw/zinc/72/02/18/888720218.db2.gz OPJHWJXGYASCPF-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCCO1 ZINC001392544733 888720325 /nfs/dbraw/zinc/72/03/25/888720325.db2.gz XBNAZOAYUFIGNU-JGVFFNPUSA-N 0 3 272.305 -1.545 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CS(C)(=O)=O ZINC001392547932 888720387 /nfs/dbraw/zinc/72/03/87/888720387.db2.gz KAAUBQNPSIZQEV-YUMQZZPRSA-N 0 3 279.362 -1.740 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CNCC(=O)NC(C)C ZINC001392544168 888720496 /nfs/dbraw/zinc/72/04/96/888720496.db2.gz NHYPSCJNDAVJOS-VIFPVBQESA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)Cn1cncn1 ZINC001392531721 888720914 /nfs/dbraw/zinc/72/09/14/888720914.db2.gz JQBOZBSTVOKLCH-MRVPVSSYSA-N 0 3 297.319 -2.172 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)CCNC(N)=O ZINC001392533163 888721006 /nfs/dbraw/zinc/72/10/06/888721006.db2.gz QQORYAVUGYRUSL-MRVPVSSYSA-N 0 3 285.348 -1.582 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001392560516 888722269 /nfs/dbraw/zinc/72/22/69/888722269.db2.gz JSTOKCAXJWJHKS-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CO[C@H]1CCOC1 ZINC001392564982 888722298 /nfs/dbraw/zinc/72/22/98/888722298.db2.gz WAKSEDXYIQKOJC-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001392561309 888722654 /nfs/dbraw/zinc/72/26/54/888722654.db2.gz ROYRMMFZKCJMSY-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001392590981 888722722 /nfs/dbraw/zinc/72/27/22/888722722.db2.gz INSWEXIWMZVCMU-QMMMGPOBSA-N 0 3 295.343 -1.042 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1nc2ncccn2n1 ZINC001392601161 888722949 /nfs/dbraw/zinc/72/29/49/888722949.db2.gz JWRMNUQEOXRQQN-QMMMGPOBSA-N 0 3 291.315 -1.422 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001392601663 888722994 /nfs/dbraw/zinc/72/29/94/888722994.db2.gz XIPWSZYHYQFEJU-QMMMGPOBSA-N 0 3 283.332 -1.030 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001392573578 888723064 /nfs/dbraw/zinc/72/30/64/888723064.db2.gz OCQHYHVOHXQUEM-IUCAKERBSA-N 0 3 285.348 -1.643 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H](C)CNCC(N)=O ZINC001392559872 888723163 /nfs/dbraw/zinc/72/31/63/888723163.db2.gz CRAOWWKPBXQFTR-QMMMGPOBSA-N 0 3 274.321 -2.329 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)Cn1ncnn1 ZINC001392561650 888723861 /nfs/dbraw/zinc/72/38/61/888723861.db2.gz POCRYTFFGZHUIQ-VIFPVBQESA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CO[C@@H]1CCOC1 ZINC001392564983 888724059 /nfs/dbraw/zinc/72/40/59/888724059.db2.gz WAKSEDXYIQKOJC-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CNCc1cncn1C)NC(=O)c1nnn(C)n1 ZINC001392599193 888724134 /nfs/dbraw/zinc/72/41/34/888724134.db2.gz YUPFRFOJIVVGMX-QMMMGPOBSA-N 0 3 278.320 -1.148 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@H]1CCN(C)C1=O ZINC001392569192 888724152 /nfs/dbraw/zinc/72/41/52/888724152.db2.gz ICYKAPBNOQSXBK-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)Cn1ncnn1 ZINC001392559905 888724173 /nfs/dbraw/zinc/72/41/73/888724173.db2.gz CARZXBVBIVVOFI-IUCAKERBSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)Cc1nnc[n-]1 ZINC001392605035 888724242 /nfs/dbraw/zinc/72/42/42/888724242.db2.gz GKCZVPQDFCXTLG-DTWKUNHWSA-N 0 3 280.332 -1.280 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001392592500 888724352 /nfs/dbraw/zinc/72/43/52/888724352.db2.gz MKKOUMACRBMJHY-VHSXEESVSA-N 0 3 296.375 -1.024 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001392583988 888724548 /nfs/dbraw/zinc/72/45/48/888724548.db2.gz VLNPAKMLBPRBKK-UWVGGRQHSA-N 0 3 297.359 -2.599 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001392599078 888724567 /nfs/dbraw/zinc/72/45/67/888724567.db2.gz YNIUBSUBLHFHOP-WCBMZHEXSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCc1cnn(C)n1 ZINC001392589646 888724817 /nfs/dbraw/zinc/72/48/17/888724817.db2.gz ALALTMIMHWBFGB-GXSJLCMTSA-N 0 3 294.359 -1.270 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001392591410 888725135 /nfs/dbraw/zinc/72/51/35/888725135.db2.gz QDWXUEMMHLABGK-CBAPKCEASA-N 0 3 283.332 -1.959 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001392615549 888726687 /nfs/dbraw/zinc/72/66/87/888726687.db2.gz NNYAHNHFVNGLPJ-IUCAKERBSA-N 0 3 293.327 -1.623 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001392657063 888726819 /nfs/dbraw/zinc/72/68/19/888726819.db2.gz MHPMTVWYADWUTP-UWVGGRQHSA-N 0 3 286.336 -1.883 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001392618824 888726883 /nfs/dbraw/zinc/72/68/83/888726883.db2.gz WTJMUZCWGSCUAB-VIFPVBQESA-N 0 3 295.343 -1.376 20 0 CAADHN C[C@@H](CN(C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCCN1C ZINC001392644470 888727266 /nfs/dbraw/zinc/72/72/66/888727266.db2.gz VBVDXHUBPFQPLM-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1cn(C)c(=O)n1C ZINC001392619893 888727679 /nfs/dbraw/zinc/72/76/79/888727679.db2.gz RQAQWCVAKQPUGR-VIFPVBQESA-N 0 3 297.359 -1.480 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001392615512 888728010 /nfs/dbraw/zinc/72/80/10/888728010.db2.gz NNYAHNHFVNGLPJ-DTWKUNHWSA-N 0 3 293.327 -1.623 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001392615736 888728149 /nfs/dbraw/zinc/72/81/49/888728149.db2.gz RXHOKJHVTCNLBZ-VIFPVBQESA-N 0 3 286.376 -1.011 20 0 CAADHN C[C@H](CN(C)CC(=O)NC(N)=O)NC(=O)[C@H]1CCCN1C ZINC001392644455 888729364 /nfs/dbraw/zinc/72/93/64/888729364.db2.gz VBVDXHUBPFQPLM-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCc2nncn2C1 ZINC001392620338 888729844 /nfs/dbraw/zinc/72/98/44/888729844.db2.gz TYGPBNDMYBXKEM-IUCAKERBSA-N 0 3 280.332 -1.580 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392704597 888731029 /nfs/dbraw/zinc/73/10/29/888731029.db2.gz WROAEYHWXCCYFJ-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CCCS(N)(=O)=O ZINC001392692084 888731140 /nfs/dbraw/zinc/73/11/40/888731140.db2.gz UFCKAQMQAJJICY-SECBINFHSA-N 0 3 281.378 -1.516 20 0 CAADHN C[C@H](CN(C)CC(=O)NC(N)=O)NC(=O)CN1CCCC1 ZINC001392719427 888732145 /nfs/dbraw/zinc/73/21/45/888732145.db2.gz AEAQESHXTMYRAW-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001392721717 888732515 /nfs/dbraw/zinc/73/25/15/888732515.db2.gz ORKFOWIPKLLDMF-VWYCJHECSA-N 0 3 287.360 -1.291 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001392785889 888735428 /nfs/dbraw/zinc/73/54/28/888735428.db2.gz PTRWSGUGYBJGHR-QMMMGPOBSA-N 0 3 281.320 -1.946 20 0 CAADHN C[C@H](NC[C@H](NC(=O)c1cnnn1C)C1CC1)C(N)=O ZINC001392776129 888735503 /nfs/dbraw/zinc/73/55/03/888735503.db2.gz OKBJPBUQBXQYBP-CBAPKCEASA-N 0 3 280.332 -1.213 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)Cn1ncnn1)C1CC1)C(N)=O ZINC001392775940 888735597 /nfs/dbraw/zinc/73/55/97/888735597.db2.gz VZWOKNRQYLRLKS-VXNVDRBHSA-N 0 3 281.320 -1.969 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)Cn1ncnn1)C1CC1)C(N)=O ZINC001392775934 888736104 /nfs/dbraw/zinc/73/61/04/888736104.db2.gz VZWOKNRQYLRLKS-APPZFPTMSA-N 0 3 281.320 -1.969 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001392789899 888735827 /nfs/dbraw/zinc/73/58/27/888735827.db2.gz BUGZAQPYLLXKJA-UWVGGRQHSA-N 0 3 297.359 -1.712 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1COCCO1)C1CC1 ZINC001392756839 888735917 /nfs/dbraw/zinc/73/59/17/888735917.db2.gz FQMUPJXNYZXGTG-VXGBXAGGSA-N 0 3 299.371 -1.026 20 0 CAADHN Cn1cnc(C(=O)N[C@H](CNCC(N)=O)C2CC2)cc1=O ZINC001392778407 888736024 /nfs/dbraw/zinc/73/60/24/888736024.db2.gz YLSCDHIBKFVOLZ-SNVBAGLBSA-N 0 3 293.327 -1.636 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001392756836 888736416 /nfs/dbraw/zinc/73/64/16/888736416.db2.gz FQMUPJXNYZXGTG-NEPJUHHUSA-N 0 3 299.371 -1.026 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001392757403 888736591 /nfs/dbraw/zinc/73/65/91/888736591.db2.gz CVFVDLZMSQYXJS-QMMMGPOBSA-N 0 3 272.305 -1.688 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001392774628 888737067 /nfs/dbraw/zinc/73/70/67/888737067.db2.gz QYATYEOASNWSQW-ZJUUUORDSA-N 0 3 293.331 -1.954 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)c1cnnn1C)C1CC1)C(N)=O ZINC001392776128 888737263 /nfs/dbraw/zinc/73/72/63/888737263.db2.gz OKBJPBUQBXQYBP-APPZFPTMSA-N 0 3 280.332 -1.213 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001392785888 888737553 /nfs/dbraw/zinc/73/75/53/888737553.db2.gz PTRWSGUGYBJGHR-MRVPVSSYSA-N 0 3 281.320 -1.946 20 0 CAADHN CNC(=O)[C@H](C)N(C)C[C@H](C)NC(=O)Cc1nnc[nH]1 ZINC001392727742 888738094 /nfs/dbraw/zinc/73/80/94/888738094.db2.gz UFZCTCPHBSLNCH-IUCAKERBSA-N 0 3 282.348 -1.082 20 0 CAADHN C[C@H](NC[C@H](NC(=O)Cn1ncnn1)C1CC1)C(N)=O ZINC001392775936 888738113 /nfs/dbraw/zinc/73/81/13/888738113.db2.gz VZWOKNRQYLRLKS-CBAPKCEASA-N 0 3 281.320 -1.969 20 0 CAADHN C[C@]1(C(=O)N[C@H](CNCC(N)=O)C2CC2)CCC(=O)NC1 ZINC001392792540 888739478 /nfs/dbraw/zinc/73/94/78/888739478.db2.gz JZJFXRIWIQNHGG-YGRLFVJLSA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001392803614 888740068 /nfs/dbraw/zinc/74/00/68/888740068.db2.gz SMPPIEQBPGTFSU-UWVGGRQHSA-N 0 3 282.344 -1.375 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)Cn1cncn1)C1CC1 ZINC001392797910 888740871 /nfs/dbraw/zinc/74/08/71/888740871.db2.gz QSVHBWJDGNGIPV-NSHDSACASA-N 0 3 294.359 -1.149 20 0 CAADHN COC[C@@H](O)CN1CC[C@H]1CNC(=O)CCc1cn[nH]n1 ZINC001392855111 888743360 /nfs/dbraw/zinc/74/33/60/888743360.db2.gz XVHMPGLZBIUTOZ-RYUDHWBXSA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@@H](O)CN1CC[C@H]1CNC(=O)CCc1c[nH]nn1 ZINC001392855111 888743373 /nfs/dbraw/zinc/74/33/73/888743373.db2.gz XVHMPGLZBIUTOZ-RYUDHWBXSA-N 0 3 297.359 -1.065 20 0 CAADHN CC[C@@H](NC1(CNC(=O)C[C@@H](C)NC(N)=O)CC1)C(N)=O ZINC001392897784 888745873 /nfs/dbraw/zinc/74/58/73/888745873.db2.gz NHNWENRMGSCJCM-RKDXNWHRSA-N 0 3 299.375 -1.064 20 0 CAADHN CC[C@H](NC1(CNC(=O)C[C@H](C)NC(N)=O)CC1)C(N)=O ZINC001392897774 888745889 /nfs/dbraw/zinc/74/58/89/888745889.db2.gz NHNWENRMGSCJCM-IUCAKERBSA-N 0 3 299.375 -1.064 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)[C@H](C)NCCS(C)(=O)=O ZINC001393921295 888807329 /nfs/dbraw/zinc/80/73/29/888807329.db2.gz WDRCQFNJPVKVJO-DTWKUNHWSA-N 0 3 293.389 -1.350 20 0 CAADHN O=C(Cn1ncnn1)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001392908354 888749318 /nfs/dbraw/zinc/74/93/18/888749318.db2.gz PPWROOTWCCTZPB-SECBINFHSA-N 0 3 293.331 -1.810 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)Cn1cnnn1)C(N)=O ZINC001393030533 888750610 /nfs/dbraw/zinc/75/06/10/888750610.db2.gz GBAJTWBXNWZNDJ-IUCAKERBSA-N 0 3 281.320 -1.873 20 0 CAADHN CC[C@H](C(=O)N(C)C1CN(CC(=O)NC(N)=O)C1)N(C)C ZINC001393022497 888752475 /nfs/dbraw/zinc/75/24/75/888752475.db2.gz RYCLPELHWHKODS-SNVBAGLBSA-N 0 3 299.375 -1.336 20 0 CAADHN COC[C@@H](O)CN1CC(N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001393023270 888752940 /nfs/dbraw/zinc/75/29/40/888752940.db2.gz XDPPYCJPZQKHFG-JTQLQIEISA-N 0 3 283.332 -1.503 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)c1cnn(C)n1)C(N)=O ZINC001393046956 888754370 /nfs/dbraw/zinc/75/43/70/888754370.db2.gz KEHGDKAAAZEDJN-RKDXNWHRSA-N 0 3 280.332 -1.117 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@H]1CN[C@@H](C)C(N)=O ZINC001393036421 888754458 /nfs/dbraw/zinc/75/44/58/888754458.db2.gz TYBOWLALDJYAGA-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001393040447 888754534 /nfs/dbraw/zinc/75/45/34/888754534.db2.gz GUCFFVXMFSJFKV-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001393047952 888754579 /nfs/dbraw/zinc/75/45/79/888754579.db2.gz QPYIOGIFZCUVRA-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@@H]1CN[C@H](C)C(N)=O ZINC001393036423 888754602 /nfs/dbraw/zinc/75/46/02/888754602.db2.gz TYBOWLALDJYAGA-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001393049816 888754796 /nfs/dbraw/zinc/75/47/96/888754796.db2.gz CCLWKQCUVIILMP-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001393035071 888754880 /nfs/dbraw/zinc/75/48/80/888754880.db2.gz ZKTCLYBKTVBJCM-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@@H]2CNCC(N)=O)CCNC(=O)C1 ZINC001393054987 888754931 /nfs/dbraw/zinc/75/49/31/888754931.db2.gz WCGFNXYDIUDTNK-QMTHXVAHSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)c1cnn(C)n1)C(N)=O ZINC001393046953 888755057 /nfs/dbraw/zinc/75/50/57/888755057.db2.gz KEHGDKAAAZEDJN-DTWKUNHWSA-N 0 3 280.332 -1.117 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001393036420 888755973 /nfs/dbraw/zinc/75/59/73/888755973.db2.gz TYBOWLALDJYAGA-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H](C)CC(N)=O ZINC001393052377 888756197 /nfs/dbraw/zinc/75/61/97/888756197.db2.gz RXSCKFUVVHVENS-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CNC(=O)OC ZINC001393031505 888756367 /nfs/dbraw/zinc/75/63/67/888756367.db2.gz BEDLHUUQUUMGKD-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CNC(=O)C1CC1 ZINC001393034028 888756390 /nfs/dbraw/zinc/75/63/90/888756390.db2.gz JNIQKFCMXOXCBI-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CNC(=O)C1CC1 ZINC001393034024 888756514 /nfs/dbraw/zinc/75/65/14/888756514.db2.gz JNIQKFCMXOXCBI-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001393040449 888756545 /nfs/dbraw/zinc/75/65/45/888756545.db2.gz GUCFFVXMFSJFKV-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2cnccn2)CCOCC1 ZINC001393197210 888757960 /nfs/dbraw/zinc/75/79/60/888757960.db2.gz IJEMSEWDFIAROB-UHFFFAOYSA-N 0 3 293.327 -1.170 20 0 CAADHN C[C@]1(NC(=O)Cn2ccc(=O)[nH]c2=O)CCN(CCO)C1 ZINC001393123936 888758493 /nfs/dbraw/zinc/75/84/93/888758493.db2.gz YSWRSOHFQJAOCN-ZDUSSCGKSA-N 0 3 296.327 -1.478 20 0 CAADHN COC[C@H](O)CN1CC[C@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001393112543 888758543 /nfs/dbraw/zinc/75/85/43/888758543.db2.gz BHQVKBWLLRDNGJ-SUNKGSAMSA-N 0 3 299.371 -1.147 20 0 CAADHN CC(=O)NCC1(NCC(=O)NC(N)=O)CCOCC1 ZINC001393200830 888758748 /nfs/dbraw/zinc/75/87/48/888758748.db2.gz QUSDINNXMUAJHX-UHFFFAOYSA-N 0 3 272.305 -1.544 20 0 CAADHN Cn1nnc(C(=O)NCC2(NCC(N)=O)CCOCC2)n1 ZINC001393211864 888759819 /nfs/dbraw/zinc/75/98/19/888759819.db2.gz AYABXYJBFSLLDM-UHFFFAOYSA-N 0 3 297.319 -2.436 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001393248242 888764598 /nfs/dbraw/zinc/76/45/98/888764598.db2.gz OGTCNGYACQMDBY-RISCZKNCSA-N 0 3 299.371 -1.288 20 0 CAADHN CC(=O)NC[C@@]1(O)CCN(C[C@H](O)CN2CCCC2=O)C1 ZINC001393246694 888765052 /nfs/dbraw/zinc/76/50/52/888765052.db2.gz ZVGKJEBENCGDSI-JSGCOSHPSA-N 0 3 299.371 -1.457 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@]1(O)CCN(CCOC)C1 ZINC001393253460 888766211 /nfs/dbraw/zinc/76/62/11/888766211.db2.gz MTBVTEOZPQQUMW-LBPRGKRZSA-N 0 3 288.348 -1.885 20 0 CAADHN Cc1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)cnn1 ZINC001393250947 888766527 /nfs/dbraw/zinc/76/65/27/888766527.db2.gz ZMVCAOTXNZUONX-ZDUSSCGKSA-N 0 3 280.328 -1.056 20 0 CAADHN C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001393253399 888766830 /nfs/dbraw/zinc/76/68/30/888766830.db2.gz UWJNBLBKXWUHAZ-TVQRCGJNSA-N 0 3 296.327 -1.270 20 0 CAADHN C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001393253399 888766843 /nfs/dbraw/zinc/76/68/43/888766843.db2.gz UWJNBLBKXWUHAZ-TVQRCGJNSA-N 0 3 296.327 -1.270 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001393275331 888766898 /nfs/dbraw/zinc/76/68/98/888766898.db2.gz MSDNTAWXVGNITI-YPMHNXCESA-N 0 3 287.360 -1.554 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001393253682 888767728 /nfs/dbraw/zinc/76/77/28/888767728.db2.gz NWAREKSKQNZJHH-RISCZKNCSA-N 0 3 299.371 -1.288 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001393253645 888767749 /nfs/dbraw/zinc/76/77/49/888767749.db2.gz NWAREKSKQNZJHH-FZMZJTMJSA-N 0 3 299.371 -1.288 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001393253639 888768550 /nfs/dbraw/zinc/76/85/50/888768550.db2.gz NWAREKSKQNZJHH-BXUZGUMPSA-N 0 3 299.371 -1.288 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001393253690 888769004 /nfs/dbraw/zinc/76/90/04/888769004.db2.gz NWAREKSKQNZJHH-SMDDNHRTSA-N 0 3 299.371 -1.288 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1 ZINC001393355529 888783042 /nfs/dbraw/zinc/78/30/42/888783042.db2.gz MOZGZMWEJKTEEQ-VIFPVBQESA-N 0 3 295.343 -1.703 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)CNC(N)=O ZINC001393349682 888783774 /nfs/dbraw/zinc/78/37/74/888783774.db2.gz IXLKXHIXUBUWGA-JTQLQIEISA-N 0 3 299.375 -1.288 20 0 CAADHN Cc1ccc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)nn1 ZINC001393458185 888784919 /nfs/dbraw/zinc/78/49/19/888784919.db2.gz NCNRGMYOQHBEGS-SNVBAGLBSA-N 0 3 295.343 -1.317 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001393390407 888786600 /nfs/dbraw/zinc/78/66/00/888786600.db2.gz ONHZZEQQUNPCIA-DTWKUNHWSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001393390438 888786885 /nfs/dbraw/zinc/78/68/85/888786885.db2.gz ONHZZEQQUNPCIA-RKDXNWHRSA-N 0 3 280.332 -1.009 20 0 CAADHN CCN1CCC[C@](CO)(NC(=O)CN2CCOCC2=O)C1 ZINC001393458811 888787510 /nfs/dbraw/zinc/78/75/10/888787510.db2.gz ZCTKDSLMNYHSEV-AWEZNQCLSA-N 0 3 299.371 -1.192 20 0 CAADHN Cc1cnn(CC(=O)N(CCO)CCN[C@H](C)C(N)=O)c1 ZINC001393456425 888788173 /nfs/dbraw/zinc/78/81/73/888788173.db2.gz DQBZQQPWZJGXIM-LLVKDONJSA-N 0 3 297.359 -1.524 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cccnn1)C(N)=O ZINC001393469849 888789440 /nfs/dbraw/zinc/78/94/40/888789440.db2.gz OSCQXNDJIWUESR-SNVBAGLBSA-N 0 3 295.343 -1.235 20 0 CAADHN CC[C@H](C(=O)NC[C@H]1COCCN1CC(N)=O)N(C)C ZINC001393507223 888789542 /nfs/dbraw/zinc/78/95/42/888789542.db2.gz MZFNCHKRMCROIT-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C[C@@H]1CCCO1)C(N)=O ZINC001393468212 888791682 /nfs/dbraw/zinc/79/16/82/888791682.db2.gz USPMTJQSHPGMCU-QWRGUYRKSA-N 0 3 287.360 -1.160 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cnn(C)n1)C(N)=O ZINC001393471105 888790072 /nfs/dbraw/zinc/79/00/72/888790072.db2.gz YSSHYMVASVDOJO-SECBINFHSA-N 0 3 298.347 -1.897 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cccnn1)C(N)=O ZINC001393469847 888790148 /nfs/dbraw/zinc/79/01/48/888790148.db2.gz OSCQXNDJIWUESR-JTQLQIEISA-N 0 3 295.343 -1.235 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cnn(C)n1)C(N)=O ZINC001393471106 888790665 /nfs/dbraw/zinc/79/06/65/888790665.db2.gz YSSHYMVASVDOJO-VIFPVBQESA-N 0 3 298.347 -1.897 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001393518660 888791795 /nfs/dbraw/zinc/79/17/95/888791795.db2.gz KWJMKFKAULUWKW-SECBINFHSA-N 0 3 295.347 -1.460 20 0 CAADHN CC(=O)N1CCO[C@@H](CN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001393572502 888793277 /nfs/dbraw/zinc/79/32/77/888793277.db2.gz UFJNYTBNNOKHJE-CBAPKCEASA-N 0 3 272.305 -1.593 20 0 CAADHN Cn1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)cn1 ZINC001393571740 888793607 /nfs/dbraw/zinc/79/36/07/888793607.db2.gz NJAORZDORIIGHB-SNVBAGLBSA-N 0 3 281.316 -1.664 20 0 CAADHN CCOCC(=O)N1CCO[C@H](CN[C@@H](C)C(=O)NC)C1 ZINC001393572398 888793693 /nfs/dbraw/zinc/79/36/93/888793693.db2.gz QZNUPRPVEMBBCF-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001393582561 888793736 /nfs/dbraw/zinc/79/37/36/888793736.db2.gz IYYYOCQGXAZIAT-JTQLQIEISA-N 0 3 295.343 -1.485 20 0 CAADHN CCOCC(=O)N1CCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001393571555 888793759 /nfs/dbraw/zinc/79/37/59/888793759.db2.gz MTTUWVIXHAECHW-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CCC(=O)N2)CCC1 ZINC001393566005 888793777 /nfs/dbraw/zinc/79/37/77/888793777.db2.gz IJIJNBHOHGVRJB-VIFPVBQESA-N 0 3 282.344 -1.361 20 0 CAADHN CC(=O)N1CCO[C@H](CN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001393572503 888793853 /nfs/dbraw/zinc/79/38/53/888793853.db2.gz UFJNYTBNNOKHJE-IONNQARKSA-N 0 3 272.305 -1.593 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CCNC(N)=O)CCO1 ZINC001393584036 888794145 /nfs/dbraw/zinc/79/41/45/888794145.db2.gz LIHDQYUIDAMZCO-MRVPVSSYSA-N 0 3 287.320 -2.653 20 0 CAADHN NC(=O)CNC1(CNC(=O)C[C@H]2CCNC2=O)CCC1 ZINC001393546097 888794198 /nfs/dbraw/zinc/79/41/98/888794198.db2.gz QWNBYXQECDSTLZ-SECBINFHSA-N 0 3 282.344 -1.374 20 0 CAADHN CC[C@@H](NC[C@H]1CN(C(=O)COC)CCO1)C(N)=O ZINC001393570878 888794756 /nfs/dbraw/zinc/79/47/56/888794756.db2.gz QCPYGGKGIPRVKY-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001393573986 888795027 /nfs/dbraw/zinc/79/50/27/888795027.db2.gz GCGAQIQFPWOBFE-RKDXNWHRSA-N 0 3 286.332 -2.200 20 0 CAADHN CCOCC(=O)N1CCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001393571558 888795166 /nfs/dbraw/zinc/79/51/66/888795166.db2.gz MTTUWVIXHAECHW-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN Cc1nc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)c[nH]1 ZINC001393581810 888795441 /nfs/dbraw/zinc/79/54/41/888795441.db2.gz OFKMEMCUOAYWAQ-SECBINFHSA-N 0 3 281.316 -1.366 20 0 CAADHN CC(=O)N1CCO[C@@H](CN[C@H](C)C(=O)NC(N)=O)C1 ZINC001393572501 888795464 /nfs/dbraw/zinc/79/54/64/888795464.db2.gz UFJNYTBNNOKHJE-APPZFPTMSA-N 0 3 272.305 -1.593 20 0 CAADHN Cc1nn(C)cc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001393584495 888795602 /nfs/dbraw/zinc/79/56/02/888795602.db2.gz RCLTWBJGKYLDRA-SNVBAGLBSA-N 0 3 295.343 -1.356 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001393582312 888795917 /nfs/dbraw/zinc/79/59/17/888795917.db2.gz FJCXZAFIJYCVBE-BDAKNGLRSA-N 0 3 299.331 -2.769 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001393570721 888796052 /nfs/dbraw/zinc/79/60/52/888796052.db2.gz IZYDZOLDROQAEO-JTQLQIEISA-N 0 3 299.327 -1.562 20 0 CAADHN Cc1nn(C)cc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001393584490 888796099 /nfs/dbraw/zinc/79/60/99/888796099.db2.gz RCLTWBJGKYLDRA-JTQLQIEISA-N 0 3 295.343 -1.356 20 0 CAADHN CC[C@H](NC[C@H]1CN(C(=O)COC)CCO1)C(N)=O ZINC001393570876 888796754 /nfs/dbraw/zinc/79/67/54/888796754.db2.gz QCPYGGKGIPRVKY-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CCn2cncn2)CCO1 ZINC001393572938 888796900 /nfs/dbraw/zinc/79/69/00/888796900.db2.gz WYYOOUYLNIKJTL-SNVBAGLBSA-N 0 3 296.331 -2.030 20 0 CAADHN CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)CCO1)C(N)=O ZINC001393589169 888798132 /nfs/dbraw/zinc/79/81/32/888798132.db2.gz RGWQOHTWFWQBQB-RKDXNWHRSA-N 0 3 296.331 -1.501 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CCCO2)CCO1 ZINC001393589972 888798493 /nfs/dbraw/zinc/79/84/93/888798493.db2.gz XYTLAJYFHQMTNM-MNOVXSKESA-N 0 3 285.344 -1.142 20 0 CAADHN CC[C@H]([NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)CCO1)C(N)=O ZINC001393588788 888798591 /nfs/dbraw/zinc/79/85/91/888798591.db2.gz RGWQOHTWFWQBQB-BDAKNGLRSA-N 0 3 296.331 -1.501 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCn2cncn2)C[C@H]1C ZINC001393727229 888798709 /nfs/dbraw/zinc/79/87/09/888798709.db2.gz AMACXMQBUOBOPS-MNOVXSKESA-N 0 3 294.359 -1.149 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1C ZINC001393727230 888799185 /nfs/dbraw/zinc/79/91/85/888799185.db2.gz AMACXMQBUOBOPS-QWRGUYRKSA-N 0 3 294.359 -1.149 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2ncccn2)CCO1)C(N)=O ZINC001393589191 888799419 /nfs/dbraw/zinc/79/94/19/888799419.db2.gz RJPFBVUWPCORAA-ZJUUUORDSA-N 0 3 293.327 -1.219 20 0 CAADHN CC[C@@H]([NH2+]C[C@H]1CN(C(=O)c2nc[n-]n2)CCO1)C(N)=O ZINC001393589160 888800996 /nfs/dbraw/zinc/80/09/96/888800996.db2.gz RGWQOHTWFWQBQB-DTWKUNHWSA-N 0 3 296.331 -1.501 20 0 CAADHN Cn1ncc(C(=O)NC2(CNCC(N)=O)CCOCC2)n1 ZINC001393715469 888801139 /nfs/dbraw/zinc/80/11/39/888801139.db2.gz HHSJWBASMVBJPO-UHFFFAOYSA-N 0 3 296.331 -1.831 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC001393766803 888802011 /nfs/dbraw/zinc/80/20/11/888802011.db2.gz RMMANUDAHHXDDA-LLVKDONJSA-N 0 3 299.371 -1.016 20 0 CAADHN CCS(=O)(=O)CC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001393747074 888802158 /nfs/dbraw/zinc/80/21/58/888802158.db2.gz WLQMCEZDXCJIGY-IUCAKERBSA-N 0 3 291.373 -1.657 20 0 CAADHN C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1NCC(N)=O ZINC001393739157 888803320 /nfs/dbraw/zinc/80/33/20/888803320.db2.gz HDDJQZBRMPEQFN-BDAKNGLRSA-N 0 3 270.333 -1.436 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001393740654 888803759 /nfs/dbraw/zinc/80/37/59/888803759.db2.gz BVKWKAABJRDKJA-YUMQZZPRSA-N 0 3 271.321 -2.163 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001393771457 888804262 /nfs/dbraw/zinc/80/42/62/888804262.db2.gz NNTQOGYWEVBHPR-LLVKDONJSA-N 0 3 287.360 -1.568 20 0 CAADHN C[C@@H](CCNC(=O)Cc1nnc[n-]1)[NH2+][C@H]1CCNC1=O ZINC001393824911 888804364 /nfs/dbraw/zinc/80/43/64/888804364.db2.gz WXXHDGURDYWENT-IUCAKERBSA-N 0 3 280.332 -1.280 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2ccon2)CC1 ZINC001393764748 888804738 /nfs/dbraw/zinc/80/47/38/888804738.db2.gz QUDSYJRINQGOTQ-UHFFFAOYSA-N 0 3 282.300 -1.283 20 0 CAADHN CC(=O)NCC(=O)N(C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001393921809 888806821 /nfs/dbraw/zinc/80/68/21/888806821.db2.gz QQHCPNLSPNTQAT-GFCCVEGCSA-N 0 3 296.371 -1.114 20 0 CAADHN O=C(CNC(=O)C1CC1)NC1(CO)CCN(CCO)CC1 ZINC001393836998 888806877 /nfs/dbraw/zinc/80/68/77/888806877.db2.gz KMNJYGROVDSWNR-UHFFFAOYSA-N 0 3 299.371 -1.552 20 0 CAADHN NC(=O)C[NH2+]CC1CC(NC(=O)c2cnc[n-]c2=O)C1 ZINC001393904303 888806901 /nfs/dbraw/zinc/80/69/01/888806901.db2.gz YYTXCNJRLSFSDK-UHFFFAOYSA-N 0 3 279.300 -1.235 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1ncc[nH]1 ZINC001393928218 888807725 /nfs/dbraw/zinc/80/77/25/888807725.db2.gz GPQAYZMVDKYIRZ-HTQZYQBOSA-N 0 3 296.331 -1.038 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cnn(C)c1N ZINC001393926951 888807748 /nfs/dbraw/zinc/80/77/48/888807748.db2.gz GTSPZKZPGFOEDW-YUMQZZPRSA-N 0 3 282.348 -1.155 20 0 CAADHN CNC(=O)C[NH2+]CC1CC(NC(=O)Cc2nnc[n-]2)C1 ZINC001393906693 888807928 /nfs/dbraw/zinc/80/79/28/888807928.db2.gz JIIMAVIDDDLKOZ-UHFFFAOYSA-N 0 3 280.332 -1.422 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1nccnc1N ZINC001393918100 888808001 /nfs/dbraw/zinc/80/80/01/888808001.db2.gz HYQKKMNMAWQHHL-JGVFFNPUSA-N 0 3 280.332 -1.099 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cnn(C)c1N ZINC001393926948 888808023 /nfs/dbraw/zinc/80/80/23/888808023.db2.gz GTSPZKZPGFOEDW-SFYZADRCSA-N 0 3 282.348 -1.155 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@H](C)NC(=O)c1ncc[nH]1 ZINC001393928356 888808414 /nfs/dbraw/zinc/80/84/14/888808414.db2.gz GPQAYZMVDKYIRZ-SFYZADRCSA-N 0 3 296.331 -1.038 20 0 CAADHN CC(=O)N1CCCC[C@H]1CNCC(=O)N1CCNC(=O)C1 ZINC001393858229 888809350 /nfs/dbraw/zinc/80/93/50/888809350.db2.gz DOOQIFGMNUBSNW-LBPRGKRZSA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001393942783 888810632 /nfs/dbraw/zinc/81/06/32/888810632.db2.gz DJBWBKCEUIIETE-HTQZYQBOSA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@@H](NC(=O)CC1CS(=O)(=O)C1)[C@H](C)NCC(N)=O ZINC001393942786 888810720 /nfs/dbraw/zinc/81/07/20/888810720.db2.gz DJBWBKCEUIIETE-JGVFFNPUSA-N 0 3 291.373 -1.611 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001393959337 888811204 /nfs/dbraw/zinc/81/12/04/888811204.db2.gz BULLOUKCIJHZMM-SFYZADRCSA-N 0 3 281.316 -1.388 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CNC(=O)OC ZINC001393938309 888811337 /nfs/dbraw/zinc/81/13/37/888811337.db2.gz ZIVLLXPVKJHODG-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC ZINC001394003981 888811418 /nfs/dbraw/zinc/81/14/18/888811418.db2.gz PAVGBXKAEKQWOM-IUCAKERBSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001393976833 888811458 /nfs/dbraw/zinc/81/14/58/888811458.db2.gz RURKYDZEKSJXBJ-BIIVNPBRSA-N 0 3 298.343 -1.444 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001393934019 888811464 /nfs/dbraw/zinc/81/14/64/888811464.db2.gz YTSHDNJAQRTGOZ-RKDXNWHRSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@@H](CNC(=O)CCn1ncn(C)c1=O)N(C)CCO ZINC001394099534 888812627 /nfs/dbraw/zinc/81/26/27/888812627.db2.gz VHGWPUVXTFRMBY-JTQLQIEISA-N 0 3 285.348 -1.599 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)N(C)CCO ZINC001394076954 888812946 /nfs/dbraw/zinc/81/29/46/888812946.db2.gz DHBKMQUWWLQEQS-VHSXEESVSA-N 0 3 297.359 -1.025 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCN1C)N(C)CC(=O)NC(N)=O ZINC001394043786 888813192 /nfs/dbraw/zinc/81/31/92/888813192.db2.gz NOWFUDFIQCMBEL-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCN1C)N(C)CC(=O)NC(N)=O ZINC001394043781 888813777 /nfs/dbraw/zinc/81/37/77/888813777.db2.gz NOWFUDFIQCMBEL-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C)N(C)CC(=O)NC(N)=O ZINC001394043784 888814085 /nfs/dbraw/zinc/81/40/85/888814085.db2.gz NOWFUDFIQCMBEL-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)CN(C)C(C)=O ZINC001394045612 888814956 /nfs/dbraw/zinc/81/49/56/888814956.db2.gz MAAKWUDMIAXMIK-JQWIXIFHSA-N 0 3 289.376 -1.092 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)N(C)CCO ZINC001394114290 888817992 /nfs/dbraw/zinc/81/79/92/888817992.db2.gz IYUZBQPXWTYZKP-SFYZADRCSA-N 0 3 272.305 -1.987 20 0 CAADHN C[C@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)CCO ZINC001394126469 888818420 /nfs/dbraw/zinc/81/84/20/888818420.db2.gz NACCXEMEYMXSPF-SECBINFHSA-N 0 3 286.332 -1.643 20 0 CAADHN C[C@H](CNC(=O)CNS(=O)(=O)N(C)C)N(C)CCO ZINC001394114261 888818923 /nfs/dbraw/zinc/81/89/23/888818923.db2.gz IOLHTLMGZHGBJX-SECBINFHSA-N 0 3 296.393 -2.189 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)CCn1cncn1 ZINC001394107261 888818995 /nfs/dbraw/zinc/81/89/95/888818995.db2.gz ZPTLMQCYBMWVPU-ZJUUUORDSA-N 0 3 295.347 -1.604 20 0 CAADHN CCCC[C@H](CNCC(=O)NC)NC(=O)[C@@H]1CNC(=O)N1 ZINC001394203665 888820895 /nfs/dbraw/zinc/82/08/95/888820895.db2.gz IIWRUJMODFSNGU-ZJUUUORDSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@H](NC(=O)CN1CCNC(=O)C1)C1CN(CCCO)C1 ZINC001394245221 888820944 /nfs/dbraw/zinc/82/09/44/888820944.db2.gz OJOPWRXSPIHNNE-NSHDSACASA-N 0 3 298.387 -1.763 20 0 CAADHN C[C@@H](O)CN1CC([C@@H](C)NC(=O)CN2CCNC(=O)C2)C1 ZINC001394249908 888825391 /nfs/dbraw/zinc/82/53/91/888825391.db2.gz WJRZBHZTAZQPLC-GHMZBOCLSA-N 0 3 298.387 -1.765 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001394328998 888825568 /nfs/dbraw/zinc/82/55/68/888825568.db2.gz CXNIANNPWDUHHK-SCZZXKLOSA-N 0 3 281.316 -1.286 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)CCNC(N)=O ZINC001394279943 888826049 /nfs/dbraw/zinc/82/60/49/888826049.db2.gz LWOOIRQYUSFWBA-VIFPVBQESA-N 0 3 272.349 -1.136 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)Cc2cnoc2)CCO1 ZINC001394330170 888827545 /nfs/dbraw/zinc/82/75/45/888827545.db2.gz JVRYFPQRRLGLLA-MWLCHTKSSA-N 0 3 296.327 -1.092 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CN(C)C(C)=O ZINC001394468118 888828243 /nfs/dbraw/zinc/82/82/43/888828243.db2.gz KPRPRMJVBJIJEV-SECBINFHSA-N 0 3 272.349 -1.353 20 0 CAADHN C[C@H](CN(C)C(=O)C1=CCOCC1)NCC(=O)NC(N)=O ZINC001394469297 888828483 /nfs/dbraw/zinc/82/84/83/888828483.db2.gz QQVHVBMCAIDIOH-SECBINFHSA-N 0 3 298.343 -1.036 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)CS(C)(=O)=O ZINC001394472412 888828531 /nfs/dbraw/zinc/82/85/31/888828531.db2.gz ADHUUZHLSRNTAT-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H]1CCNC1=O ZINC001394504018 888828905 /nfs/dbraw/zinc/82/89/05/888828905.db2.gz OUQRRAQXTSQGJJ-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)NCC(=O)N1CCC1 ZINC001394498066 888828953 /nfs/dbraw/zinc/82/89/53/888828953.db2.gz JLLNYRLBWYRVSD-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)CS(C)(=O)=O ZINC001394472417 888829143 /nfs/dbraw/zinc/82/91/43/888829143.db2.gz ADHUUZHLSRNTAT-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)N[C@H]1CCNC1=O ZINC001394504013 888829186 /nfs/dbraw/zinc/82/91/86/888829186.db2.gz OUQRRAQXTSQGJJ-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@H](CN(C)C(=O)CN(C)C(=O)C1CC1)NCC(N)=O ZINC001394503711 888829284 /nfs/dbraw/zinc/82/92/84/888829284.db2.gz NTGCXDXGCWDRSS-SECBINFHSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H](CNCC(N)=O)C1CC1 ZINC001394441772 888829325 /nfs/dbraw/zinc/82/93/25/888829325.db2.gz JWCYMCMNVYLWRR-UTLUCORTSA-N 0 3 282.344 -1.580 20 0 CAADHN COC(=O)NCC(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001394422094 888829369 /nfs/dbraw/zinc/82/93/69/888829369.db2.gz KVLAUTJJCRVWAP-VIFPVBQESA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cnnn1)N[C@@H]1CCCNC1=O ZINC001394470914 888829455 /nfs/dbraw/zinc/82/94/55/888829455.db2.gz XQWXSTPBPQTYIQ-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CN(C(=O)c1cnn(C)n1)[C@@H](CNCC(N)=O)C1CC1 ZINC001394447132 888829790 /nfs/dbraw/zinc/82/97/90/888829790.db2.gz GXCJOYACQYGAKV-JTQLQIEISA-N 0 3 280.332 -1.259 20 0 CAADHN CN(C(=O)CN1CCCC1=O)[C@H](CNCC(N)=O)C1CC1 ZINC001394416664 888830081 /nfs/dbraw/zinc/83/00/81/888830081.db2.gz FCCZKRYVNWUSGW-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](C)N[C@H]2CCNC2=O)[nH]1 ZINC001394483894 888830139 /nfs/dbraw/zinc/83/01/39/888830139.db2.gz RDGCJCKWBJIMTB-WPRPVWTQSA-N 0 3 294.359 -1.019 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)NCC(N)=O ZINC001394499656 888830215 /nfs/dbraw/zinc/83/02/15/888830215.db2.gz ADCYKKFUHKLLIG-QMMMGPOBSA-N 0 3 297.315 -2.129 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccon1)NCC(=O)NC(N)=O ZINC001394462469 888830741 /nfs/dbraw/zinc/83/07/41/888830741.db2.gz MWLQNJAXWZFMNR-SSDOTTSWSA-N 0 3 283.288 -1.080 20 0 CAADHN COC(=O)NCC(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001394422084 888830964 /nfs/dbraw/zinc/83/09/64/888830964.db2.gz KVLAUTJJCRVWAP-SECBINFHSA-N 0 3 286.332 -1.346 20 0 CAADHN CN(C(=O)[C@@H]1CCC(=O)NC1)[C@H](CNCC(N)=O)C1CC1 ZINC001394429708 888831051 /nfs/dbraw/zinc/83/10/51/888831051.db2.gz GPDBXPPRLBPBCL-GHMZBOCLSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)COCc1ccnn1C)NCC(N)=O ZINC001394493399 888831539 /nfs/dbraw/zinc/83/15/39/888831539.db2.gz GFXQUEVLLOTDPH-SNVBAGLBSA-N 0 3 297.359 -1.142 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)NCC(=O)NC1CC1 ZINC001394468397 888831645 /nfs/dbraw/zinc/83/16/45/888831645.db2.gz OPAYDYRMOBZFQH-BDAKNGLRSA-N 0 3 299.375 -1.242 20 0 CAADHN CN(C(=O)[C@H]1CN(C)CCO1)[C@H](CNCC(N)=O)C1CC1 ZINC001394429293 888831908 /nfs/dbraw/zinc/83/19/08/888831908.db2.gz QPRSOKJIXZMSBM-VXGBXAGGSA-N 0 3 298.387 -1.371 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001394509107 888832169 /nfs/dbraw/zinc/83/21/69/888832169.db2.gz SZXJKLHDRDYJNP-DTWKUNHWSA-N 0 3 297.363 -1.263 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001394541085 888833724 /nfs/dbraw/zinc/83/37/24/888833724.db2.gz NARRHLNQEXGLBT-UWVGGRQHSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cncn1)N[C@H]1CCN(C)C1=O ZINC001394558160 888833953 /nfs/dbraw/zinc/83/39/53/888833953.db2.gz VDSFCVOWNIKLTJ-QWRGUYRKSA-N 0 3 294.359 -1.055 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CS(=O)(=O)NC ZINC001394560638 888834099 /nfs/dbraw/zinc/83/40/99/888834099.db2.gz REIKLCYNPGRYMZ-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CS(=O)(=O)NC ZINC001394560635 888834179 /nfs/dbraw/zinc/83/41/79/888834179.db2.gz REIKLCYNPGRYMZ-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001394538240 888834778 /nfs/dbraw/zinc/83/47/78/888834778.db2.gz ZNUILBIEXGXDKM-SFYZADRCSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnn(C)n1)NCC(=O)NC(N)=O ZINC001394546037 888835344 /nfs/dbraw/zinc/83/53/44/888835344.db2.gz LKNWCVTWVIAFNR-ZETCQYMHSA-N 0 3 297.319 -1.940 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001394538241 888835821 /nfs/dbraw/zinc/83/58/21/888835821.db2.gz ZNUILBIEXGXDKM-YUMQZZPRSA-N 0 3 299.331 -2.233 20 0 CAADHN Cn1nccc1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001394576749 888842038 /nfs/dbraw/zinc/84/20/38/888842038.db2.gz NRVHDMAADRKINW-SNVBAGLBSA-N 0 3 293.331 -1.608 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](CO)NCc1ccn(C)c(=O)c1 ZINC001394577979 888842976 /nfs/dbraw/zinc/84/29/76/888842976.db2.gz QTJARIZXTOWLKV-ZYHUDNBSSA-N 0 3 297.355 -1.013 20 0 CAADHN O=C(C[C@H]1CCCO1)NC[C@@H](CO)NCCn1cncn1 ZINC001394577762 888843917 /nfs/dbraw/zinc/84/39/17/888843917.db2.gz ZVURDGOSRGANFV-NWDGAFQWSA-N 0 3 297.359 -1.086 20 0 CAADHN Cc1nnc(CN[C@H](CO)CNC(=O)[C@@H]2CCCN2C)[nH]1 ZINC001394579008 888845274 /nfs/dbraw/zinc/84/52/74/888845274.db2.gz NBLOGUYYOZZFIA-QWRGUYRKSA-N 0 3 296.375 -1.226 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001394590515 888852051 /nfs/dbraw/zinc/85/20/51/888852051.db2.gz BTCPVOFOAXRHDR-OPRDCNLKSA-N 0 3 295.343 -1.674 20 0 CAADHN CO[C@@H](C)CN[C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001394594653 888855237 /nfs/dbraw/zinc/85/52/37/888855237.db2.gz XINUGUDIZNHOIR-WCBMZHEXSA-N 0 3 294.373 -1.867 20 0 CAADHN CO[C@@H](C)CN[C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001394594657 888856573 /nfs/dbraw/zinc/85/65/73/888856573.db2.gz XINUGUDIZNHOIR-WPRPVWTQSA-N 0 3 294.373 -1.867 20 0 CAADHN CO[C@H](C)CN[C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001394594648 888856952 /nfs/dbraw/zinc/85/69/52/888856952.db2.gz XINUGUDIZNHOIR-SCZZXKLOSA-N 0 3 294.373 -1.867 20 0 CAADHN CO[C@H](C)CN[C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001394594645 888857551 /nfs/dbraw/zinc/85/75/51/888857551.db2.gz XINUGUDIZNHOIR-PSASIEDQSA-N 0 3 294.373 -1.867 20 0 CAADHN NC(=O)CN[C@H](CO)CNC(=O)CCN1CCOCC1 ZINC001394647837 888874600 /nfs/dbraw/zinc/87/46/00/888874600.db2.gz UIRIJGJVUZJJSX-JTQLQIEISA-N 0 3 288.348 -2.739 20 0 CAADHN NC(=O)CN[C@@H](CO)CNC(=O)CCN1CCOCC1 ZINC001394647838 888875804 /nfs/dbraw/zinc/87/58/04/888875804.db2.gz UIRIJGJVUZJJSX-SNVBAGLBSA-N 0 3 288.348 -2.739 20 0 CAADHN CCS(=O)(=O)CC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001394678758 888877304 /nfs/dbraw/zinc/87/73/04/888877304.db2.gz JQBPSOKPMMLAMD-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)Cn1ncnn1 ZINC001394689917 888877032 /nfs/dbraw/zinc/87/70/32/888877032.db2.gz WVRMZRHJGSARTN-UWVGGRQHSA-N 0 3 295.347 -1.660 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C ZINC001394664042 888878143 /nfs/dbraw/zinc/87/81/43/888878143.db2.gz ODIUPRYXYXPEIE-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C ZINC001394684181 888878199 /nfs/dbraw/zinc/87/81/99/888878199.db2.gz YRCVLLTZGDNILS-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001394693165 888879218 /nfs/dbraw/zinc/87/92/18/888879218.db2.gz RQBVCHPAGQMHBL-YUMQZZPRSA-N 0 3 281.320 -1.851 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1C ZINC001394662320 888879574 /nfs/dbraw/zinc/87/95/74/888879574.db2.gz HITHXHOYJODUFM-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)Cn1cncn1 ZINC001394666187 888879735 /nfs/dbraw/zinc/87/97/35/888879735.db2.gz FSXHNMDTVMJKEC-QWRGUYRKSA-N 0 3 294.359 -1.055 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001394693158 888880018 /nfs/dbraw/zinc/88/00/18/888880018.db2.gz RQBVCHPAGQMHBL-JGVFFNPUSA-N 0 3 281.320 -1.851 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)[C@H](C)NC(N)=O)CC1(C)C ZINC001394712560 888880353 /nfs/dbraw/zinc/88/03/53/888880353.db2.gz FOIRGHJMJSYHDR-IUCAKERBSA-N 0 3 299.375 -1.384 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN2CCOCC2)[C@@H]1C ZINC001394662318 888880545 /nfs/dbraw/zinc/88/05/45/888880545.db2.gz HITHXHOYJODUFM-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)Cn1ncnn1 ZINC001394689918 888880569 /nfs/dbraw/zinc/88/05/69/888880569.db2.gz WVRMZRHJGSARTN-VHSXEESVSA-N 0 3 295.347 -1.660 20 0 CAADHN CCS(=O)(=O)CC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001394678722 888880596 /nfs/dbraw/zinc/88/05/96/888880596.db2.gz JQBPSOKPMMLAMD-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)Cn1cncn1 ZINC001394666184 888880773 /nfs/dbraw/zinc/88/07/73/888880773.db2.gz FSXHNMDTVMJKEC-GHMZBOCLSA-N 0 3 294.359 -1.055 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)Cn1cccn1)C(N)=O ZINC001394727910 888881524 /nfs/dbraw/zinc/88/15/24/888881524.db2.gz LJDOUBAFUPKQLE-GHMZBOCLSA-N 0 3 297.359 -1.444 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CN(C)C(=O)COC)C1=O ZINC001394728005 888881564 /nfs/dbraw/zinc/88/15/64/888881564.db2.gz VNBIAOOWILFGSV-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)Cn1cccn1 ZINC001394730527 888881662 /nfs/dbraw/zinc/88/16/62/888881662.db2.gz WSDVUNLDUYIJHG-QWRGUYRKSA-N 0 3 295.343 -1.820 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CN(C)C(=O)COC)C1=O ZINC001394728008 888881689 /nfs/dbraw/zinc/88/16/89/888881689.db2.gz VNBIAOOWILFGSV-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cn[nH]c1)C(N)=O ZINC001394724830 888881749 /nfs/dbraw/zinc/88/17/49/888881749.db2.gz CPKMIBYEJPQBJJ-NXEZZACHSA-N 0 3 283.332 -1.304 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C(C)(F)F ZINC001394723713 888882162 /nfs/dbraw/zinc/88/21/62/888882162.db2.gz NILFPCMRLMKBLA-SFYZADRCSA-N 0 3 279.287 -1.061 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cnn(C)c1)C(N)=O ZINC001394720399 888882203 /nfs/dbraw/zinc/88/22/03/888882203.db2.gz NVKFQOHATSXLDJ-WPRPVWTQSA-N 0 3 283.332 -1.684 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)COC(C)C ZINC001394728277 888882229 /nfs/dbraw/zinc/88/22/29/888882229.db2.gz DXMDZROMKXOGND-WDEREUQCSA-N 0 3 289.376 -1.045 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](O)CNCc1ccnn1C ZINC001394725338 888882395 /nfs/dbraw/zinc/88/23/95/888882395.db2.gz BXGYWCPKWCPFBW-GFCCVEGCSA-N 0 3 297.359 -1.535 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001394730785 888882495 /nfs/dbraw/zinc/88/24/95/888882495.db2.gz WFPXPMCAWYCSOR-QMMMGPOBSA-N 0 3 290.320 -2.373 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001394730998 888882812 /nfs/dbraw/zinc/88/28/12/888882812.db2.gz ALKJTEFQEXBEQL-BDAKNGLRSA-N 0 3 299.335 -2.654 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cc[nH]n1 ZINC001394730478 888882890 /nfs/dbraw/zinc/88/28/90/888882890.db2.gz WESNCLMJOSMRDN-RKDXNWHRSA-N 0 3 281.316 -1.679 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCCNC1=O)C(=O)C(F)F ZINC001394723839 888883192 /nfs/dbraw/zinc/88/31/92/888883192.db2.gz OJTLWIITZVQDKT-JGVFFNPUSA-N 0 3 279.287 -1.061 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@H](C)OC ZINC001394728086 888883216 /nfs/dbraw/zinc/88/32/16/888883216.db2.gz DGXPGLDWYOBNLB-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001394726161 888883259 /nfs/dbraw/zinc/88/32/59/888883259.db2.gz GEIJAEJDVZSPGP-JTQLQIEISA-N 0 3 288.348 -2.333 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCCNC1=O)C(=O)c1cocn1 ZINC001394727798 888883413 /nfs/dbraw/zinc/88/34/13/888883413.db2.gz CHKYIGBIJIQXLJ-VHSXEESVSA-N 0 3 296.327 -1.024 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCCNC1=O)C(=O)C(F)F ZINC001394723841 888883512 /nfs/dbraw/zinc/88/35/12/888883512.db2.gz OJTLWIITZVQDKT-SFYZADRCSA-N 0 3 279.287 -1.061 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)s1 ZINC001394729257 888883536 /nfs/dbraw/zinc/88/35/36/888883536.db2.gz HUPNXVJYUGIPII-QMMMGPOBSA-N 0 3 286.357 -1.041 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)[nH]n1 ZINC001394727980 888883636 /nfs/dbraw/zinc/88/36/36/888883636.db2.gz OAHXTCCPTRNPTK-SCZZXKLOSA-N 0 3 297.359 -1.132 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cn[nH]c1 ZINC001394725634 888883844 /nfs/dbraw/zinc/88/38/44/888883844.db2.gz GCZNMKUTTSXTNA-NXEZZACHSA-N 0 3 281.316 -1.679 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001394725889 888883955 /nfs/dbraw/zinc/88/39/55/888883955.db2.gz FWZHAXGIUHHWMC-SNVBAGLBSA-N 0 3 283.332 -1.962 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001394730750 888884086 /nfs/dbraw/zinc/88/40/86/888884086.db2.gz WFPXPMCAWYCSOR-MRVPVSSYSA-N 0 3 290.320 -2.373 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cn[nH]c1 ZINC001394725635 888884315 /nfs/dbraw/zinc/88/43/15/888884315.db2.gz GCZNMKUTTSXTNA-UWVGGRQHSA-N 0 3 281.316 -1.679 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](O)CNCc1ccnn1C ZINC001394725343 888884408 /nfs/dbraw/zinc/88/44/08/888884408.db2.gz BXGYWCPKWCPFBW-LBPRGKRZSA-N 0 3 297.359 -1.535 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001394731005 888884640 /nfs/dbraw/zinc/88/46/40/888884640.db2.gz ALKJTEFQEXBEQL-IUCAKERBSA-N 0 3 299.335 -2.654 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1)C(N)=O ZINC001394733058 888886077 /nfs/dbraw/zinc/88/60/77/888886077.db2.gz GAMCVFAHFJOPAA-PSASIEDQSA-N 0 3 283.332 -1.765 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001394731192 888886197 /nfs/dbraw/zinc/88/61/97/888886197.db2.gz WNFVZLDSGJOSDH-QWRGUYRKSA-N 0 3 289.376 -1.092 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cc1cncs1 ZINC001394744105 888886226 /nfs/dbraw/zinc/88/62/26/888886226.db2.gz MVRCCHBLJFJYRR-QMMMGPOBSA-N 0 3 286.357 -1.420 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)C1=CCCC1 ZINC001394741885 888886335 /nfs/dbraw/zinc/88/63/35/888886335.db2.gz QLSFPRRDOJTBLC-JTQLQIEISA-N 0 3 298.343 -1.300 20 0 CAADHN CCc1n[nH]cc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001394737803 888886406 /nfs/dbraw/zinc/88/64/06/888886406.db2.gz AQSKAGTYZXFFNR-BDAKNGLRSA-N 0 3 297.359 -1.132 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CCCOC1 ZINC001394734811 888886484 /nfs/dbraw/zinc/88/64/84/888886484.db2.gz ZGIOZPZMUMXLEM-VHSXEESVSA-N 0 3 273.333 -1.693 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1ncc[nH]1)C(N)=O ZINC001394734481 888886549 /nfs/dbraw/zinc/88/65/49/888886549.db2.gz OMDCHICOUWOYFJ-BDAKNGLRSA-N 0 3 283.332 -1.304 20 0 CAADHN CN(C[C@@H](O)CNCc1ccnn1C)C(=O)c1cn[nH]n1 ZINC001394742547 888887300 /nfs/dbraw/zinc/88/73/00/888887300.db2.gz KXSZMSNQMCSUFK-JTQLQIEISA-N 0 3 293.331 -1.239 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CCCOC1 ZINC001394734809 888887342 /nfs/dbraw/zinc/88/73/42/888887342.db2.gz ZGIOZPZMUMXLEM-UWVGGRQHSA-N 0 3 273.333 -1.693 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001394732419 888887509 /nfs/dbraw/zinc/88/75/09/888887509.db2.gz ZTYBAONZTDZZNF-NSHDSACASA-N 0 3 297.359 -1.042 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001394735699 888888015 /nfs/dbraw/zinc/88/80/15/888888015.db2.gz OHOQDBIVIVSEHJ-SNVBAGLBSA-N 0 3 283.332 -1.893 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)c1cnco1 ZINC001394745141 888888593 /nfs/dbraw/zinc/88/85/93/888888593.db2.gz MMVXJLVEZXCGDP-JTQLQIEISA-N 0 3 296.327 -1.071 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001394735355 888889040 /nfs/dbraw/zinc/88/90/40/888889040.db2.gz NWXJAISYBCEKJN-SECBINFHSA-N 0 3 298.347 -2.026 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001394735375 888889173 /nfs/dbraw/zinc/88/91/73/888889173.db2.gz NWXJAISYBCEKJN-VIFPVBQESA-N 0 3 298.347 -2.026 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001394734623 888889909 /nfs/dbraw/zinc/88/99/09/888889909.db2.gz RJGLPGUOTLBZSJ-JTQLQIEISA-N 0 3 281.316 -1.755 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CN[C@H](C)C(=O)N(C)C ZINC001394731184 888889312 /nfs/dbraw/zinc/88/93/12/888889312.db2.gz WNFVZLDSGJOSDH-GHMZBOCLSA-N 0 3 289.376 -1.092 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](O)CN[C@H]2CCNC2=O)c[nH]1 ZINC001394734296 888889596 /nfs/dbraw/zinc/88/95/96/888889596.db2.gz XGIMDQFZAJGXFQ-UWVGGRQHSA-N 0 3 295.343 -1.371 20 0 CAADHN CCc1n[nH]cc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001394737804 888889770 /nfs/dbraw/zinc/88/97/70/888889770.db2.gz AQSKAGTYZXFFNR-DTWKUNHWSA-N 0 3 297.359 -1.132 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cnon1)C(N)=O ZINC001394756092 888890506 /nfs/dbraw/zinc/89/05/06/888890506.db2.gz VGLMGLNXXUSESK-BQBZGAKWSA-N 0 3 271.277 -2.034 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)Cn1cncn1)C(N)=O ZINC001394763424 888890605 /nfs/dbraw/zinc/89/06/05/888890605.db2.gz IWRPOFNDBGQDEF-VHSXEESVSA-N 0 3 298.347 -2.049 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1nc(C)c[nH]1 ZINC001394752237 888890832 /nfs/dbraw/zinc/89/08/32/888890832.db2.gz BVOJLVNRJVWULC-UWVGGRQHSA-N 0 3 297.359 -1.125 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1ccn(C)n1)C(N)=O ZINC001394755677 888890904 /nfs/dbraw/zinc/89/09/04/888890904.db2.gz RCKVNGCDWKVQBR-VHSXEESVSA-N 0 3 297.359 -1.294 20 0 CAADHN CCCn1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)nn1 ZINC001394757414 888891418 /nfs/dbraw/zinc/89/14/18/888891418.db2.gz MZLPHHUUVIEZPE-SECBINFHSA-N 0 3 298.347 -1.804 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1cnccn1 ZINC001394754594 888891744 /nfs/dbraw/zinc/89/17/44/888891744.db2.gz IBUYYCMOUWOWBW-LLVKDONJSA-N 0 3 295.343 -1.697 20 0 CAADHN CCc1nc[nH]c1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001394756194 888891914 /nfs/dbraw/zinc/89/19/14/888891914.db2.gz FEIKIFFFMDVVRK-MRVPVSSYSA-N 0 3 283.332 -1.520 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@]1(C)CCOC1 ZINC001394755292 888892166 /nfs/dbraw/zinc/89/21/66/888892166.db2.gz IWDWZWBIEZFUDZ-GWCFXTLKSA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1)C(=O)N(C)C ZINC001394750189 888892181 /nfs/dbraw/zinc/89/21/81/888892181.db2.gz ATOYXYOGZADNHJ-IUCAKERBSA-N 0 3 298.347 -1.696 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@]1(C)CCOC1 ZINC001394755302 888892374 /nfs/dbraw/zinc/89/23/74/888892374.db2.gz IWDWZWBIEZFUDZ-ZWNOBZJWSA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)CCCF ZINC001394750756 888893078 /nfs/dbraw/zinc/89/30/78/888893078.db2.gz KOUWHVKYJLUSGI-MRVPVSSYSA-N 0 3 292.311 -1.660 20 0 CAADHN C[C@@H](CC(=O)N(C)C[C@H](O)CNCC(N)=O)n1cccn1 ZINC001394753508 888893202 /nfs/dbraw/zinc/89/32/02/888893202.db2.gz GDVZNIZWXUFFGN-WDEREUQCSA-N 0 3 297.359 -1.272 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)Cn1cncn1)C(N)=O ZINC001394763420 888893479 /nfs/dbraw/zinc/89/34/79/888893479.db2.gz IWRPOFNDBGQDEF-NXEZZACHSA-N 0 3 298.347 -2.049 20 0 CAADHN Cc1cnoc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001394757254 888893713 /nfs/dbraw/zinc/89/37/13/888893713.db2.gz MJBIGASJICPFJO-IUCAKERBSA-N 0 3 284.316 -1.121 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)Cn1cncn1)C(N)=O ZINC001394763425 888894027 /nfs/dbraw/zinc/89/40/27/888894027.db2.gz IWRPOFNDBGQDEF-ZJUUUORDSA-N 0 3 298.347 -2.049 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@]1(C)CCOC1 ZINC001394755296 888894368 /nfs/dbraw/zinc/89/43/68/888894368.db2.gz IWDWZWBIEZFUDZ-GXFFZTMASA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)[C@@H]1CC12CC2 ZINC001394751164 888894400 /nfs/dbraw/zinc/89/44/00/888894400.db2.gz BHIGMVGKVIIICW-BDAKNGLRSA-N 0 3 298.343 -1.610 20 0 CAADHN C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1)C(=O)N(C)C ZINC001394750191 888894548 /nfs/dbraw/zinc/89/45/48/888894548.db2.gz ATOYXYOGZADNHJ-RKDXNWHRSA-N 0 3 298.347 -1.696 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)[C@H]1CC12CC2 ZINC001394751166 888894572 /nfs/dbraw/zinc/89/45/72/888894572.db2.gz BHIGMVGKVIIICW-DTWKUNHWSA-N 0 3 298.343 -1.610 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001394780760 888895768 /nfs/dbraw/zinc/89/57/68/888895768.db2.gz MIWXUNYFJCBJDO-SNVBAGLBSA-N 0 3 298.343 -1.529 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001394780758 888895870 /nfs/dbraw/zinc/89/58/70/888895870.db2.gz MIWXUNYFJCBJDO-JTQLQIEISA-N 0 3 298.343 -1.529 20 0 CAADHN Cn1nnc(C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)n1 ZINC001394827395 888897549 /nfs/dbraw/zinc/89/75/49/888897549.db2.gz ZRBXXOULIMCBNK-ZETCQYMHSA-N 0 3 283.336 -1.571 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)CCc1cn(C)nn1 ZINC001394794282 888897856 /nfs/dbraw/zinc/89/78/56/888897856.db2.gz WYNNBHDXCYHZBI-LBPRGKRZSA-N 0 3 299.375 -1.509 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001394777122 888897977 /nfs/dbraw/zinc/89/79/77/888897977.db2.gz MVVITWPJFOUPFH-LBPRGKRZSA-N 0 3 297.355 -1.258 20 0 CAADHN CC(C)N(CCN(C)CCO)C(=O)Cn1ncnn1 ZINC001394799103 888900395 /nfs/dbraw/zinc/90/03/95/888900395.db2.gz UIFGBTIXSFRDBJ-UHFFFAOYSA-N 0 3 270.337 -1.166 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001394776720 888900813 /nfs/dbraw/zinc/90/08/13/888900813.db2.gz KRKZMTKGHHOBCA-VIFPVBQESA-N 0 3 299.327 -1.265 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)NC1=O ZINC001394822872 888901306 /nfs/dbraw/zinc/90/13/06/888901306.db2.gz JJHXHHBYHMLNIP-DTWKUNHWSA-N 0 3 299.375 -1.384 20 0 CAADHN CO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)CN(C)C(C)C ZINC001395740191 888924635 /nfs/dbraw/zinc/92/46/35/888924635.db2.gz DKVHPHPQLMZUIV-WDEREUQCSA-N 0 3 289.376 -1.045 20 0 CAADHN CO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)CN(C)C(C)C ZINC001395740181 888925463 /nfs/dbraw/zinc/92/54/63/888925463.db2.gz DKVHPHPQLMZUIV-GHMZBOCLSA-N 0 3 289.376 -1.045 20 0 CAADHN CO[C@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001395777497 888930592 /nfs/dbraw/zinc/93/05/92/888930592.db2.gz LMKBKMXMKFMXCA-ZJUUUORDSA-N 0 3 298.343 -1.111 20 0 CAADHN CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c1cnon1)N(C)C ZINC001395799501 888934759 /nfs/dbraw/zinc/93/47/59/888934759.db2.gz YVNFIPQDZYSBHZ-WPRPVWTQSA-N 0 3 299.331 -1.383 20 0 CAADHN CCC(=O)NC[C@H]1C[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001397025108 888954777 /nfs/dbraw/zinc/95/47/77/888954777.db2.gz OSJONVNJSULFGW-PHIMTYICSA-N 0 3 296.371 -1.161 20 0 CAADHN COC[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc[n-]1 ZINC001397033949 888955127 /nfs/dbraw/zinc/95/51/27/888955127.db2.gz ATWJJLIKIOJKII-WDEREUQCSA-N 0 3 297.359 -1.113 20 0 CAADHN COC[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1nnc[n-]1 ZINC001397033949 888955139 /nfs/dbraw/zinc/95/51/39/888955139.db2.gz ATWJJLIKIOJKII-WDEREUQCSA-N 0 3 297.359 -1.113 20 0 CAADHN CC[C@H](C(=O)NC[C@H](C)NC(=O)Cn1ncnn1)N(C)C ZINC001397511300 888968013 /nfs/dbraw/zinc/96/80/13/888968013.db2.gz WOMRNPKSZMPVHZ-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001397802311 888975159 /nfs/dbraw/zinc/97/51/59/888975159.db2.gz YSKSHBSRUPLVAI-BBBLOLIVSA-N 0 3 293.389 -1.505 20 0 CAADHN CN(C)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001397696719 888977474 /nfs/dbraw/zinc/97/74/74/888977474.db2.gz YTCPXTNMYPAKRD-MGCOHNPYSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)NCC(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001397932977 888983309 /nfs/dbraw/zinc/98/33/09/888983309.db2.gz AAYGMLJEOGKXSY-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CC(C)N1CCN(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001398269555 888991062 /nfs/dbraw/zinc/99/10/62/888991062.db2.gz AJASHEVUTJXLIF-LLVKDONJSA-N 0 3 283.376 -1.190 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001398416353 888992589 /nfs/dbraw/zinc/99/25/89/888992589.db2.gz UYNCPXLKDMUVOD-NXEZZACHSA-N 0 3 298.343 -1.333 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001398435091 888992990 /nfs/dbraw/zinc/99/29/90/888992990.db2.gz ZMFXCZQCEILYAB-VHSXEESVSA-N 0 3 282.344 -1.518 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CS(C)(=O)=O)C1CC1 ZINC001398382089 888993035 /nfs/dbraw/zinc/99/30/35/888993035.db2.gz ZJENILOWKGJPJI-VIFPVBQESA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@H](CC(=O)NC[C@H](NCC(N)=O)C1CC1)NC(N)=O ZINC001398407971 888993255 /nfs/dbraw/zinc/99/32/55/888993255.db2.gz LKOCAUFRLJDYDQ-APPZFPTMSA-N 0 3 285.348 -1.597 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001398461492 888993326 /nfs/dbraw/zinc/99/33/26/888993326.db2.gz XRCYNTUSFVYBEU-KXUCPTDWSA-N 0 3 282.344 -1.662 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CNC(=O)CNC(C)=O)C1CC1 ZINC001398373957 888993721 /nfs/dbraw/zinc/99/37/21/888993721.db2.gz IVBAWJBZYGXJFC-KCJUWKMLSA-N 0 3 284.360 -1.259 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CCN1CCOCC1)C1CC1 ZINC001398439982 888993770 /nfs/dbraw/zinc/99/37/70/888993770.db2.gz IMEKJBIWKUXHRI-GFCCVEGCSA-N 0 3 298.387 -1.322 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001398435087 888993867 /nfs/dbraw/zinc/99/38/67/888993867.db2.gz ZMFXCZQCEILYAB-UWVGGRQHSA-N 0 3 282.344 -1.518 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001398416378 888994017 /nfs/dbraw/zinc/99/40/17/888994017.db2.gz UYNCPXLKDMUVOD-ZJUUUORDSA-N 0 3 298.343 -1.333 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001398322793 888994049 /nfs/dbraw/zinc/99/40/49/888994049.db2.gz GXTVTVCYDOQTPP-SECBINFHSA-N 0 3 294.377 -2.435 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001398383174 888994106 /nfs/dbraw/zinc/99/41/06/888994106.db2.gz BGKRHHQBVAUBJI-SECBINFHSA-N 0 3 281.320 -2.097 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CNC(=O)CNC(C)=O)C1CC1 ZINC001398373960 888994212 /nfs/dbraw/zinc/99/42/12/888994212.db2.gz IVBAWJBZYGXJFC-LDYMZIIASA-N 0 3 284.360 -1.259 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001398328665 888994279 /nfs/dbraw/zinc/99/42/79/888994279.db2.gz JFEHLAZPRMXOEO-GYSYKLTISA-N 0 3 299.371 -1.147 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](N[C@@H](C)C(N)=O)C1CC1 ZINC001398376181 888994408 /nfs/dbraw/zinc/99/44/08/888994408.db2.gz QJZMQSHLIGBHHG-XVKPBYJWSA-N 0 3 270.333 -1.519 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001398447213 888995286 /nfs/dbraw/zinc/99/52/86/888995286.db2.gz APOXYNQPNLSSQZ-LLVKDONJSA-N 0 3 294.359 -1.149 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001398461553 888995549 /nfs/dbraw/zinc/99/55/49/888995549.db2.gz XRCYNTUSFVYBEU-UTLUCORTSA-N 0 3 282.344 -1.662 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001398437929 888995950 /nfs/dbraw/zinc/99/59/50/888995950.db2.gz LVEWSSAJQNRAQE-SNVBAGLBSA-N 0 3 297.359 -2.612 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001398527809 888997713 /nfs/dbraw/zinc/99/77/13/888997713.db2.gz PHPDZDZVNJZKQM-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](C(=O)N[C@@H]1C[C@@H](N[C@@H](C)C(N)=O)C1)S(C)(=O)=O ZINC001398540522 888997754 /nfs/dbraw/zinc/99/77/54/888997754.db2.gz VWVZTYDPXKGZCP-KZVJFYERSA-N 0 3 291.373 -1.470 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](COC)OC)C1 ZINC001398523856 888998231 /nfs/dbraw/zinc/99/82/31/888998231.db2.gz QPCZJLVRTRJARK-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CC(=O)N[C@H]1C[C@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001398536583 888997960 /nfs/dbraw/zinc/99/79/60/888997960.db2.gz VAOAOQGOGWUKEN-LSJOCFKGSA-N 0 3 284.360 -1.164 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001398497234 888998202 /nfs/dbraw/zinc/99/82/02/888998202.db2.gz ZDDDOYGTRUJHNV-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001398516931 888998595 /nfs/dbraw/zinc/99/85/95/888998595.db2.gz BTLIZFZNMDXXMQ-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001398521635 888999028 /nfs/dbraw/zinc/99/90/28/888999028.db2.gz CKIYZZQZIAGODW-ZETCQYMHSA-N 0 3 295.303 -1.936 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001398521675 888999216 /nfs/dbraw/zinc/99/92/16/888999216.db2.gz DLBJOGHECQUQLW-VIFPVBQESA-N 0 3 280.332 -1.293 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001398493339 888999269 /nfs/dbraw/zinc/99/92/69/888999269.db2.gz VCCMBXAHBUKQJM-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H](N[C@@H]1C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C1)C(N)=O ZINC001398540513 888999294 /nfs/dbraw/zinc/99/92/94/888999294.db2.gz VWVZTYDPXKGZCP-BZNPZCIMSA-N 0 3 291.373 -1.470 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](COC)OC)C1 ZINC001398523854 888999499 /nfs/dbraw/zinc/99/94/99/888999499.db2.gz QPCZJLVRTRJARK-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN COCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001398505045 888999521 /nfs/dbraw/zinc/99/95/21/888999521.db2.gz QYPXDQIGWOMCEB-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN CCCC(=O)N[C@H]1C[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001398614402 889009198 /nfs/dbraw/zinc/00/91/98/889009198.db2.gz JFHHLURUJISUIZ-PHIMTYICSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001398652734 889010005 /nfs/dbraw/zinc/01/00/05/889010005.db2.gz GUMVWCZDGACFDD-HLTSFMKQSA-N 0 3 280.332 -1.282 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001398655660 889010228 /nfs/dbraw/zinc/01/02/28/889010228.db2.gz FOZYALCQPIHITL-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)CNC(C)=O)C1)N(C)C ZINC001398652763 889010293 /nfs/dbraw/zinc/01/02/93/889010293.db2.gz NMBDKAAJYZFBLA-LLVKDONJSA-N 0 3 284.360 -1.210 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001398674116 889010619 /nfs/dbraw/zinc/01/06/19/889010619.db2.gz DFPBUIPFVHACAL-JTQLQIEISA-N 0 3 297.359 -1.665 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001398654435 889010645 /nfs/dbraw/zinc/01/06/45/889010645.db2.gz CQRCJYLVZBSFRL-SNVBAGLBSA-N 0 3 298.343 -1.236 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)Cn2cnnn2)C1)N(C)C ZINC001398684988 889011896 /nfs/dbraw/zinc/01/18/96/889011896.db2.gz FWKJHKDXSXIQCV-JTQLQIEISA-N 0 3 295.347 -1.660 20 0 CAADHN CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001398652735 889012918 /nfs/dbraw/zinc/01/29/18/889012918.db2.gz GUMVWCZDGACFDD-XHNCKOQMSA-N 0 3 280.332 -1.282 20 0 CAADHN Cn1nncc1C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001398764353 889014146 /nfs/dbraw/zinc/01/41/46/889014146.db2.gz XUCUQSRBNLBSTC-SECBINFHSA-N 0 3 280.332 -1.115 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001398765605 889015071 /nfs/dbraw/zinc/01/50/71/889015071.db2.gz GFDJZERREBBAOC-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001398765614 889015269 /nfs/dbraw/zinc/01/52/69/889015269.db2.gz GFDJZERREBBAOC-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)NCC(=O)N(C)C ZINC001398900631 889017287 /nfs/dbraw/zinc/01/72/87/889017287.db2.gz ZHLDFXYEXOKXPW-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COCCO1)NCC(=O)NC(N)=O ZINC001398878350 889017328 /nfs/dbraw/zinc/01/73/28/889017328.db2.gz HXDHGMVCPYFCAE-YUMQZZPRSA-N 0 3 288.304 -2.309 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)NCC(=O)N(C)C ZINC001398872139 889017707 /nfs/dbraw/zinc/01/77/07/889017707.db2.gz DXWWWXQEKSAYTF-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H](C)COC ZINC001398885585 889017799 /nfs/dbraw/zinc/01/77/99/889017799.db2.gz VOJDRKZXJIVABJ-IUCAKERBSA-N 0 3 288.348 -1.181 20 0 CAADHN CC[C@H](OC)C(=O)NC[C@H](C)NCC(=O)NC(=O)NC ZINC001398882332 889018134 /nfs/dbraw/zinc/01/81/34/889018134.db2.gz IBCXZMCXOZUKOO-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001398892813 889018450 /nfs/dbraw/zinc/01/84/50/889018450.db2.gz OZQGOXBGLLOAMI-WPRPVWTQSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)NCC1CC1 ZINC001398882425 889018922 /nfs/dbraw/zinc/01/89/22/889018922.db2.gz SEHXMXHRTGASHY-GXSJLCMTSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C1CC1)NCC(=O)N(C)C ZINC001398872136 889019027 /nfs/dbraw/zinc/01/90/27/889019027.db2.gz DXWWWXQEKSAYTF-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNC(=O)C1=COCCC1)NCC(=O)NC(N)=O ZINC001398876430 889019052 /nfs/dbraw/zinc/01/90/52/889019052.db2.gz NESSHSGVQQAULH-QMMMGPOBSA-N 0 3 284.316 -1.030 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1 ZINC001398872588 889019079 /nfs/dbraw/zinc/01/90/79/889019079.db2.gz ZKVINORGMJVEBQ-SECBINFHSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001398892806 889019769 /nfs/dbraw/zinc/01/97/69/889019769.db2.gz OZQGOXBGLLOAMI-SCZZXKLOSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1N)N[C@H]1CCNC1=O ZINC001398898569 889019912 /nfs/dbraw/zinc/01/99/12/889019912.db2.gz AEWMCZCKOYANLG-CBAPKCEASA-N 0 3 280.332 -1.401 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H](C)COC ZINC001398885594 889020517 /nfs/dbraw/zinc/02/05/17/889020517.db2.gz VOJDRKZXJIVABJ-RKDXNWHRSA-N 0 3 288.348 -1.181 20 0 CAADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N[C@@H]1CCNC1=O ZINC001398972178 889021678 /nfs/dbraw/zinc/02/16/78/889021678.db2.gz YKGOALLWOXIGDX-MWLCHTKSSA-N 0 3 292.339 -1.018 20 0 CAADHN Cc1c(C(=O)NC[C@@H](C)N[C@H]2CCNC2=O)nnn1C ZINC001398903470 889021813 /nfs/dbraw/zinc/02/18/13/889021813.db2.gz XGXOCPUDTFULAK-APPZFPTMSA-N 0 3 280.332 -1.280 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CN1CCOCC1 ZINC001398923283 889021903 /nfs/dbraw/zinc/02/19/03/889021903.db2.gz MHQRDORTQPKBFV-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001398964761 889022246 /nfs/dbraw/zinc/02/22/46/889022246.db2.gz ZYPTVTFCWWPPJI-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)N[C@H]1CCNC1=O ZINC001398939618 889022396 /nfs/dbraw/zinc/02/23/96/889022396.db2.gz GLHGLFGEMRPCQU-CBAPKCEASA-N 0 3 279.300 -1.221 20 0 CAADHN C[C@@H](CNC(=O)c1cccc2ncnn21)NCC(N)=O ZINC001399004621 889022455 /nfs/dbraw/zinc/02/24/55/889022455.db2.gz UWAMVDZOVANITI-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CO[C@H](C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)C1CC1 ZINC001398935275 889022480 /nfs/dbraw/zinc/02/24/80/889022480.db2.gz ZXDRADZVCHIHDX-XCBNKYQSSA-N 0 3 286.332 -1.299 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CN1CCOCC1 ZINC001398923276 889022727 /nfs/dbraw/zinc/02/27/27/889022727.db2.gz MHQRDORTQPKBFV-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN CO[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)C1CC1 ZINC001398935258 889022942 /nfs/dbraw/zinc/02/29/42/889022942.db2.gz ZXDRADZVCHIHDX-GMSGAONNSA-N 0 3 286.332 -1.299 20 0 CAADHN Cc1nnc(CC(=O)NC[C@@H](C)N[C@@H]2CCNC2=O)o1 ZINC001398926959 889023013 /nfs/dbraw/zinc/02/30/13/889023013.db2.gz XJCXIXZRURETEP-VXNVDRBHSA-N 0 3 281.316 -1.097 20 0 CAADHN CCN1C[C@H](C(=O)NC[C@H](C)NCC(=O)NC)CC1=O ZINC001398959241 889023310 /nfs/dbraw/zinc/02/33/10/889023310.db2.gz OMRPRGMTJCDMOI-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)N[C@H]1CCNC1=O ZINC001398939584 889023715 /nfs/dbraw/zinc/02/37/15/889023715.db2.gz GLHGLFGEMRPCQU-APPZFPTMSA-N 0 3 279.300 -1.221 20 0 CAADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)N[C@@H]1CCNC1=O ZINC001398939651 889023740 /nfs/dbraw/zinc/02/37/40/889023740.db2.gz GLHGLFGEMRPCQU-IONNQARKSA-N 0 3 279.300 -1.221 20 0 CAADHN C[C@H](CNC(=O)c1cccc2ncnn21)NCC(N)=O ZINC001399004619 889023768 /nfs/dbraw/zinc/02/37/68/889023768.db2.gz UWAMVDZOVANITI-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN Cc1c(C(=O)NC[C@H](C)N[C@H]2CCNC2=O)nnn1C ZINC001398903471 889023964 /nfs/dbraw/zinc/02/39/64/889023964.db2.gz XGXOCPUDTFULAK-CBAPKCEASA-N 0 3 280.332 -1.280 20 0 CAADHN Cc1c(C(=O)NC[C@@H](C)N[C@@H]2CCNC2=O)nnn1C ZINC001398903473 889023988 /nfs/dbraw/zinc/02/39/88/889023988.db2.gz XGXOCPUDTFULAK-VXNVDRBHSA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)NCC(=O)N(C)C1CC1 ZINC001398936391 889024530 /nfs/dbraw/zinc/02/45/30/889024530.db2.gz ORCNCCKTVYOGLG-VIFPVBQESA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CNC(=O)CCNS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001398952585 889024586 /nfs/dbraw/zinc/02/45/86/889024586.db2.gz KIKIYAFTXKRQDM-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCNS(C)(=O)=O)C(N)=O ZINC001398952578 889024614 /nfs/dbraw/zinc/02/46/14/889024614.db2.gz KIKIYAFTXKRQDM-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N[C@@H]1CCNC1=O ZINC001398972170 889024645 /nfs/dbraw/zinc/02/46/45/889024645.db2.gz YKGOALLWOXIGDX-GXSJLCMTSA-N 0 3 292.339 -1.018 20 0 CAADHN CCN1C[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC)CC1=O ZINC001398959243 889024715 /nfs/dbraw/zinc/02/47/15/889024715.db2.gz OMRPRGMTJCDMOI-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN Cc1nnc(CC(=O)NC[C@@H](C)N[C@H]2CCNC2=O)o1 ZINC001398926956 889024763 /nfs/dbraw/zinc/02/47/63/889024763.db2.gz XJCXIXZRURETEP-APPZFPTMSA-N 0 3 281.316 -1.097 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N[C@@H]1CCN(C)C1=O ZINC001399018900 889025887 /nfs/dbraw/zinc/02/58/87/889025887.db2.gz DXTIAFFOSNZKOQ-JGVFFNPUSA-N 0 3 281.320 -1.851 20 0 CAADHN COC[C@@H](OC)C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001399060275 889026087 /nfs/dbraw/zinc/02/60/87/889026087.db2.gz ZGQSUKCHXVZVSP-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)N[C@H]1CCNC1=O ZINC001399020436 889026303 /nfs/dbraw/zinc/02/63/03/889026303.db2.gz KIEUFHYBLLOJFX-YUMQZZPRSA-N 0 3 281.316 -1.278 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001399036617 889026478 /nfs/dbraw/zinc/02/64/78/889026478.db2.gz UJIDPMOSOLINSD-DTWKUNHWSA-N 0 3 272.349 -1.272 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001399036621 889027297 /nfs/dbraw/zinc/02/72/97/889027297.db2.gz UJIDPMOSOLINSD-RKDXNWHRSA-N 0 3 272.349 -1.272 20 0 CAADHN C[C@H](CNC(=O)CCn1ncn(C)c1=O)N[C@H](C)C(N)=O ZINC001399012355 889027042 /nfs/dbraw/zinc/02/70/42/889027042.db2.gz FEGHFBJIYUNQPB-RKDXNWHRSA-N 0 3 298.347 -2.060 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001399042532 889027253 /nfs/dbraw/zinc/02/72/53/889027253.db2.gz PGWYKLMWSJQXCJ-XHNCKOQMSA-N 0 3 286.332 -2.140 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ccnnc1 ZINC001399033041 889027373 /nfs/dbraw/zinc/02/73/73/889027373.db2.gz OFESAYKVUMYVPL-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NC1CC1 ZINC001399046669 889028182 /nfs/dbraw/zinc/02/81/82/889028182.db2.gz VVUBHWNEPVBKSB-IONNQARKSA-N 0 3 283.332 -1.959 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001399016570 889027881 /nfs/dbraw/zinc/02/78/81/889027881.db2.gz BIZGJRVPWDMDMI-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001399016552 889028421 /nfs/dbraw/zinc/02/84/21/889028421.db2.gz BIZGJRVPWDMDMI-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@@H]1CCN(C)C1=O ZINC001399018889 889028675 /nfs/dbraw/zinc/02/86/75/889028675.db2.gz DXTIAFFOSNZKOQ-HTQZYQBOSA-N 0 3 281.320 -1.851 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NC1CC1 ZINC001399046670 889029232 /nfs/dbraw/zinc/02/92/32/889029232.db2.gz VVUBHWNEPVBKSB-VXNVDRBHSA-N 0 3 283.332 -1.959 20 0 CAADHN C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001399093302 889029802 /nfs/dbraw/zinc/02/98/02/889029802.db2.gz YBQLYKHEQSBGOX-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N[C@@H](C)C(=O)NC1CC1 ZINC001399122422 889029817 /nfs/dbraw/zinc/02/98/17/889029817.db2.gz FEVXHUJWBYXCOE-BDAKNGLRSA-N 0 3 299.375 -1.194 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cnon1 ZINC001399094646 889029830 /nfs/dbraw/zinc/02/98/30/889029830.db2.gz STDCKGUUJUBUCB-RNFRBKRXSA-N 0 3 298.303 -1.378 20 0 CAADHN C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001399093297 889029837 /nfs/dbraw/zinc/02/98/37/889029837.db2.gz YBQLYKHEQSBGOX-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)N[C@H]1CCCNC1=O ZINC001399129907 889030028 /nfs/dbraw/zinc/03/00/28/889030028.db2.gz MIXZSFHWJGEVKW-IUCAKERBSA-N 0 3 285.348 -1.582 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cccnn1 ZINC001399108484 889030475 /nfs/dbraw/zinc/03/04/75/889030475.db2.gz PGDIPCISZCXGJL-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)c1ccccn1)NCC(N)=O ZINC001399155780 889031048 /nfs/dbraw/zinc/03/10/48/889031048.db2.gz HTXDFHBJYZKDOP-SECBINFHSA-N 0 3 293.327 -1.609 20 0 CAADHN C[C@@H](CNC(=O)CCCC(=O)N(C)C)NCC(N)=O ZINC001399100150 889031598 /nfs/dbraw/zinc/03/15/98/889031598.db2.gz NAYWLVBVRRWTHF-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CCn1nc(C(=O)NC[C@@H](C)N[C@@H](C)C(N)=O)ccc1=O ZINC001399080579 889031831 /nfs/dbraw/zinc/03/18/31/889031831.db2.gz GVIFOZOOVWGHNF-BDAKNGLRSA-N 0 3 295.343 -1.155 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)NCCS(C)(=O)=O ZINC001399098540 889032222 /nfs/dbraw/zinc/03/22/22/889032222.db2.gz DPVNYBQGEIFAMF-VIFPVBQESA-N 0 3 289.361 -1.583 20 0 CAADHN CCn1cnc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)c1 ZINC001399125926 889032438 /nfs/dbraw/zinc/03/24/38/889032438.db2.gz VBNRRFLUJXLBDS-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN CCn1nc(C(=O)NC[C@H](C)N[C@@H](C)C(N)=O)ccc1=O ZINC001399080581 889032559 /nfs/dbraw/zinc/03/25/59/889032559.db2.gz GVIFOZOOVWGHNF-IUCAKERBSA-N 0 3 295.343 -1.155 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001399157459 889032682 /nfs/dbraw/zinc/03/26/82/889032682.db2.gz CKCFYMWSWKCHCE-NSHDSACASA-N 0 3 282.344 -1.455 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cnon1 ZINC001399094629 889033001 /nfs/dbraw/zinc/03/30/01/889033001.db2.gz STDCKGUUJUBUCB-BQBZGAKWSA-N 0 3 298.303 -1.378 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)COCc1nncn1C ZINC001399092017 889033084 /nfs/dbraw/zinc/03/30/84/889033084.db2.gz JWBVBWBWCDBUNB-VIFPVBQESA-N 0 3 298.347 -1.828 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ncccn1 ZINC001399097016 889033114 /nfs/dbraw/zinc/03/31/14/889033114.db2.gz VCULDPNIPXOZGP-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001399122013 889033248 /nfs/dbraw/zinc/03/32/48/889033248.db2.gz TZJKGKWYPFPZEF-BQBZGAKWSA-N 0 3 280.350 -2.496 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001399171791 889034582 /nfs/dbraw/zinc/03/45/82/889034582.db2.gz MWIBPNNASAVGJS-ZETCQYMHSA-N 0 3 281.272 -1.326 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)C1 ZINC001399163325 889034894 /nfs/dbraw/zinc/03/48/94/889034894.db2.gz UIRRKLXEKBRBKS-VIFPVBQESA-N 0 3 295.347 -1.267 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001399175774 889035065 /nfs/dbraw/zinc/03/50/65/889035065.db2.gz HEUVJVYZKHYXKF-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001399175783 889035119 /nfs/dbraw/zinc/03/51/19/889035119.db2.gz HEUVJVYZKHYXKF-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001399167225 889035346 /nfs/dbraw/zinc/03/53/46/889035346.db2.gz KQTDXVCTHIXYJH-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001399164732 889035741 /nfs/dbraw/zinc/03/57/41/889035741.db2.gz ZEVAIBZYBJFJIN-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CCOC)C1 ZINC001399185060 889036024 /nfs/dbraw/zinc/03/60/24/889036024.db2.gz ZOAHUJMNVBUNSV-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001399225418 889036078 /nfs/dbraw/zinc/03/60/78/889036078.db2.gz OOCNVIQSRYQPFX-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001399163387 889036118 /nfs/dbraw/zinc/03/61/18/889036118.db2.gz UWMCSSXAYWULDM-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001399430871 889041300 /nfs/dbraw/zinc/04/13/00/889041300.db2.gz AROINTZTKVCHIO-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CCNS(C)(=O)=O ZINC001399488927 889047595 /nfs/dbraw/zinc/04/75/95/889047595.db2.gz QSPHHALXZPXBHD-SECBINFHSA-N 0 3 281.378 -1.646 20 0 CAADHN CN(CCO)CCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001399539035 889048689 /nfs/dbraw/zinc/04/86/89/889048689.db2.gz XRSJJGIBBHLAJT-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001399487919 889048890 /nfs/dbraw/zinc/04/88/90/889048890.db2.gz MCWBYXZJJASQOG-JTQLQIEISA-N 0 3 298.343 -2.024 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)Cn1ncn(C)c1=O ZINC001399514083 889048991 /nfs/dbraw/zinc/04/89/91/889048991.db2.gz HDPDQBYSNPEYLX-SNVBAGLBSA-N 0 3 285.348 -1.335 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001399501827 889049101 /nfs/dbraw/zinc/04/91/01/889049101.db2.gz AUMBGCXUQIDYMK-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CN1CCNC(=O)C1 ZINC001399557481 889049958 /nfs/dbraw/zinc/04/99/58/889049958.db2.gz JEGZUAGJLMDVKY-SNVBAGLBSA-N 0 3 272.349 -2.153 20 0 CAADHN CN(CCCO)CCNC(=O)CN1CCOCC1=O ZINC001399507652 889050611 /nfs/dbraw/zinc/05/06/11/889050611.db2.gz XAWBUHKLAPFESB-UHFFFAOYSA-N 0 3 273.333 -1.724 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)NCCN(C)CCO ZINC001399635224 889052052 /nfs/dbraw/zinc/05/20/52/889052052.db2.gz TYOZRJIPYYLOHH-VIFPVBQESA-N 0 3 299.335 -2.782 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001399632357 889054162 /nfs/dbraw/zinc/05/41/62/889054162.db2.gz AROINTZTKVCHIO-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN CCN(CCNC(=O)C1=NC(=O)N(C)C1)CC(=O)NC ZINC001399747477 889057650 /nfs/dbraw/zinc/05/76/50/889057650.db2.gz BYBFMXRFEVLVRQ-UHFFFAOYSA-N 0 3 283.332 -1.077 20 0 CAADHN COCC(=O)NC[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001399755134 889063572 /nfs/dbraw/zinc/06/35/72/889063572.db2.gz GRQDMRMUWPPMOD-SNVBAGLBSA-N 0 3 287.360 -1.290 20 0 CAADHN CN1C[C@@H](C(=O)NCCN(CCCO)C2CC2)NC1=O ZINC001400007966 889084560 /nfs/dbraw/zinc/08/45/60/889084560.db2.gz DRTWDZYMCWRTJC-NSHDSACASA-N 0 3 284.360 -1.027 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN1CCCCC1=O)C(N)=O ZINC001400038745 889085266 /nfs/dbraw/zinc/08/52/66/889085266.db2.gz QUDXOIPCFGTGEN-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001400051830 889085322 /nfs/dbraw/zinc/08/53/22/889085322.db2.gz LNUTVCUWJNOCLX-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001400036651 889085405 /nfs/dbraw/zinc/08/54/05/889085405.db2.gz BJSZPKHLWBKKHA-SFYZADRCSA-N 0 3 271.321 -2.020 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@@H]1COC(=O)C1)C(N)=O ZINC001400056339 889085585 /nfs/dbraw/zinc/08/55/85/889085585.db2.gz MBHNWSTXIDSOND-IUCAKERBSA-N 0 3 271.317 -1.139 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@H]1CCNC1=O ZINC001400053306 889085708 /nfs/dbraw/zinc/08/57/08/889085708.db2.gz KMPMVFOVXPTLBJ-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@H](C)C(=O)N(C)C ZINC001400037974 889085911 /nfs/dbraw/zinc/08/59/11/889085911.db2.gz ABKOKPLOLHHGML-SECBINFHSA-N 0 3 272.349 -1.353 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)CCn1ccnn1 ZINC001400049335 889086080 /nfs/dbraw/zinc/08/60/80/889086080.db2.gz CGWAENMZXCRSHZ-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001400045425 889086108 /nfs/dbraw/zinc/08/61/08/889086108.db2.gz NVKKWYPBFNZUCA-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H](C)NC(C)=O ZINC001400047956 889086152 /nfs/dbraw/zinc/08/61/52/889086152.db2.gz RMCMMJOWVVCAOG-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001400049185 889086197 /nfs/dbraw/zinc/08/61/97/889086197.db2.gz XRQSNYOCHUCMOX-VHSXEESVSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN(C)S(C)(=O)=O)C(N)=O ZINC001400048956 889086768 /nfs/dbraw/zinc/08/67/68/889086768.db2.gz DZGNHUMJZBDKSF-MRVPVSSYSA-N 0 3 294.377 -2.200 20 0 CAADHN COC(=O)NCC(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001400065898 889087391 /nfs/dbraw/zinc/08/73/91/889087391.db2.gz FIMGVBFUHYUJRZ-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001400047959 889087565 /nfs/dbraw/zinc/08/75/65/889087565.db2.gz RMCMMJOWVVCAOG-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CCn1cncn1)C(N)=O ZINC001400038171 889087774 /nfs/dbraw/zinc/08/77/74/889087774.db2.gz BOUHLIJWKCBXEK-SNVBAGLBSA-N 0 3 282.348 -1.020 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001400036624 889088218 /nfs/dbraw/zinc/08/82/18/889088218.db2.gz BJSZPKHLWBKKHA-HTQZYQBOSA-N 0 3 271.321 -2.020 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001400036653 889088416 /nfs/dbraw/zinc/08/84/16/889088416.db2.gz BJSZPKHLWBKKHA-YUMQZZPRSA-N 0 3 271.321 -2.020 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001400047955 889088509 /nfs/dbraw/zinc/08/85/09/889088509.db2.gz RMCMMJOWVVCAOG-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001400049179 889088544 /nfs/dbraw/zinc/08/85/44/889088544.db2.gz XRQSNYOCHUCMOX-NXEZZACHSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H](C)CC(N)=O ZINC001400056638 889088809 /nfs/dbraw/zinc/08/88/09/889088809.db2.gz PKQVFAMCXOWGDV-IUCAKERBSA-N 0 3 272.349 -1.320 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)c1cnn(C)n1 ZINC001400071736 889089923 /nfs/dbraw/zinc/08/99/23/889089923.db2.gz XZLUVWWTBLHKMA-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CCCC(N)=O ZINC001400075776 889090478 /nfs/dbraw/zinc/09/04/78/889090478.db2.gz BGQDCSAJCHEOEZ-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001400067655 889090572 /nfs/dbraw/zinc/09/05/72/889090572.db2.gz LWSGVFDHUPJTGV-OUAUKWLOSA-N 0 3 296.371 -1.223 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001400067011 889091391 /nfs/dbraw/zinc/09/13/91/889091391.db2.gz QNGWUBLCPSZDDU-VIFPVBQESA-N 0 3 293.327 -1.336 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001400073329 889091689 /nfs/dbraw/zinc/09/16/89/889091689.db2.gz HSVGBKFYSQKNBX-QMMMGPOBSA-N 0 3 281.316 -1.684 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccnnc1)C(=O)NC(N)=O ZINC001400075141 889092537 /nfs/dbraw/zinc/09/25/37/889092537.db2.gz ZHFXHBLJHNFQFT-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400480597 889106952 /nfs/dbraw/zinc/10/69/52/889106952.db2.gz ZOLVKZIEIJPKPK-SECBINFHSA-N 0 3 293.389 -1.693 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001400460390 889107645 /nfs/dbraw/zinc/10/76/45/889107645.db2.gz MLLMWFPJKNSSEM-ZDUSSCGKSA-N 0 3 299.371 -1.480 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)CNC(C)=O)C1 ZINC001400458218 889108407 /nfs/dbraw/zinc/10/84/07/889108407.db2.gz ABYJIELOJRHIBF-NSHDSACASA-N 0 3 273.333 -1.822 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001400540863 889111844 /nfs/dbraw/zinc/11/18/44/889111844.db2.gz HQQIULBRVAHQMF-MNOVXSKESA-N 0 3 285.344 -1.680 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001400529176 889112204 /nfs/dbraw/zinc/11/22/04/889112204.db2.gz PIANNKANMUABQF-ZJUUUORDSA-N 0 3 286.332 -2.277 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)NCC1CN(CCCO)C1 ZINC001400511076 889112491 /nfs/dbraw/zinc/11/24/91/889112491.db2.gz GHXWRZSZJWXMNS-UHFFFAOYSA-N 0 3 296.327 -1.621 20 0 CAADHN NC(=O)NC(=O)CN1CC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001400671069 889114199 /nfs/dbraw/zinc/11/41/99/889114199.db2.gz SYDGCSNYTFTRLN-MRVPVSSYSA-N 0 3 294.315 -1.662 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001400651597 889115061 /nfs/dbraw/zinc/11/50/61/889115061.db2.gz FLGASWBUJKQNJY-KXUCPTDWSA-N 0 3 287.316 -1.707 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001400681746 889115324 /nfs/dbraw/zinc/11/53/24/889115324.db2.gz WYWJNCSMXHTNAA-QJPTWQEYSA-N 0 3 299.371 -1.147 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001400651598 889115425 /nfs/dbraw/zinc/11/54/25/889115425.db2.gz FLGASWBUJKQNJY-OPRDCNLKSA-N 0 3 287.316 -1.707 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001400681752 889115567 /nfs/dbraw/zinc/11/55/67/889115567.db2.gz WYWJNCSMXHTNAA-UTUOFQBUSA-N 0 3 299.371 -1.147 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400653839 889115690 /nfs/dbraw/zinc/11/56/90/889115690.db2.gz MZUHMGZENAYOOA-VHSXEESVSA-N 0 3 293.389 -1.551 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001400605695 889116053 /nfs/dbraw/zinc/11/60/53/889116053.db2.gz NTFMSZLJXXNIIC-VHSXEESVSA-N 0 3 289.332 -1.460 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400623497 889116268 /nfs/dbraw/zinc/11/62/68/889116268.db2.gz MZUHMGZENAYOOA-UWVGGRQHSA-N 0 3 293.389 -1.551 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)C1CC1)N[C@@H](C)C(N)=O ZINC001400796346 889118237 /nfs/dbraw/zinc/11/82/37/889118237.db2.gz MYPYVVTVPZWZIO-WPRPVWTQSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)C1CC1)N[C@H](C)C(N)=O ZINC001400796341 889118372 /nfs/dbraw/zinc/11/83/72/889118372.db2.gz MYPYVVTVPZWZIO-SCZZXKLOSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCCO1)NCC(=O)NC(N)=O ZINC001400799949 889118525 /nfs/dbraw/zinc/11/85/25/889118525.db2.gz VSXRRMZQWXUYNB-DTWKUNHWSA-N 0 3 286.332 -1.155 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)OC)N[C@@H]1CCNC1=O ZINC001400799140 889118585 /nfs/dbraw/zinc/11/85/85/889118585.db2.gz RAQLODLZRQJODC-DTWKUNHWSA-N 0 3 286.332 -1.285 20 0 CAADHN CC(=O)NCC(=O)N1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001400775310 889118983 /nfs/dbraw/zinc/11/89/83/889118983.db2.gz MXBWLEZRKVSASR-GFCCVEGCSA-N 0 3 296.371 -1.114 20 0 CAADHN CC[C@H](CNC(=O)CN1CCCC1=O)N[C@H](C)C(N)=O ZINC001400798231 889119932 /nfs/dbraw/zinc/11/99/32/889119932.db2.gz UXJQPGSRNHLPHG-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCC(N)=O ZINC001400921122 889121330 /nfs/dbraw/zinc/12/13/30/889121330.db2.gz RZXAPUPACPMPPX-IUCAKERBSA-N 0 3 285.348 -1.501 20 0 CAADHN CC[C@@H](CNC(=O)c1nc2ncccn2n1)NCC(N)=O ZINC001400872525 889121397 /nfs/dbraw/zinc/12/13/97/889121397.db2.gz MWBOCLZKPYEGBC-QMMMGPOBSA-N 0 3 291.315 -1.292 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1COC(=O)N1 ZINC001400816855 889121554 /nfs/dbraw/zinc/12/15/54/889121554.db2.gz QAPYLPFSEDXOCI-DTWKUNHWSA-N 0 3 286.332 -1.285 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)NC1CC1 ZINC001400800191 889121568 /nfs/dbraw/zinc/12/15/68/889121568.db2.gz RSUJDRDGIACGHC-DTWKUNHWSA-N 0 3 299.375 -1.194 20 0 CAADHN CC[C@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(=O)NC ZINC001400852260 889121751 /nfs/dbraw/zinc/12/17/51/889121751.db2.gz CZTHYIAMOHUTBA-MRVPVSSYSA-N 0 3 281.316 -1.386 20 0 CAADHN CC[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCC(N)=O ZINC001400866632 889121776 /nfs/dbraw/zinc/12/17/76/889121776.db2.gz WFHSSVRZKVAKPY-PELKAZGASA-N 0 3 270.333 -1.375 20 0 CAADHN CN1C[C@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)CC1=O ZINC001401008947 889121850 /nfs/dbraw/zinc/12/18/50/889121850.db2.gz SKFXNNWPSCZBBD-YMTOWFKASA-N 0 3 296.371 -1.176 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](CC)NC(C)=O)NCC(N)=O ZINC001400832509 889122906 /nfs/dbraw/zinc/12/29/06/889122906.db2.gz DWFAHLIVWLKIFU-UWVGGRQHSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)C[C@@H]1CCN(C)C1=O)NCC(N)=O ZINC001400838145 889122222 /nfs/dbraw/zinc/12/22/22/889122222.db2.gz ZAKVVLVFEFVDLT-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001401004270 889122433 /nfs/dbraw/zinc/12/24/33/889122433.db2.gz WWERKNGPCVGERL-ZANVPECISA-N 0 3 298.343 -1.285 20 0 CAADHN COC(=O)NCC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001400997915 889122713 /nfs/dbraw/zinc/12/27/13/889122713.db2.gz OWHCWWRZYHOMFQ-UHFFFAOYSA-N 0 3 286.332 -1.154 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCCC1 ZINC001400960191 889122763 /nfs/dbraw/zinc/12/27/63/889122763.db2.gz UHCPYMSIGKQKEA-BDAKNGLRSA-N 0 3 282.344 -1.388 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001401087629 889124450 /nfs/dbraw/zinc/12/44/50/889124450.db2.gz KCYALTHGOCPRCL-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN CCN1C[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)CC1=O ZINC001401086978 889124556 /nfs/dbraw/zinc/12/45/56/889124556.db2.gz RMVWASTUFBWOLJ-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001401085059 889124785 /nfs/dbraw/zinc/12/47/85/889124785.db2.gz GCBPMRIFUUTDHE-RKDXNWHRSA-N 0 3 295.347 -1.461 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001401082772 889125224 /nfs/dbraw/zinc/12/52/24/889125224.db2.gz ZRSGYKJSKHDTQX-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@@H]2CNCC(N)=O)CCC(=O)N1 ZINC001401086024 889125767 /nfs/dbraw/zinc/12/57/67/889125767.db2.gz CFXGHKJXPAJEDQ-RNCFNFMXSA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001401083476 889125804 /nfs/dbraw/zinc/12/58/04/889125804.db2.gz DKUPQZHNXMSIKV-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001401085057 889126026 /nfs/dbraw/zinc/12/60/26/889126026.db2.gz GCBPMRIFUUTDHE-DTWKUNHWSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)CNC1(CNC(=O)Cn2cnnn2)CCCC1 ZINC001401159759 889126893 /nfs/dbraw/zinc/12/68/93/889126893.db2.gz FDNYVPDLWVNNOR-UHFFFAOYSA-N 0 3 295.347 -1.562 20 0 CAADHN CNC(=O)CNC[C@@H](CC(C)C)NC(=O)CNC(C)=O ZINC001401276620 889130776 /nfs/dbraw/zinc/13/07/76/889130776.db2.gz LPEPJNPVZZHTSF-LLVKDONJSA-N 0 3 286.376 -1.011 20 0 CAADHN CNC(=O)CNC[C@H](CC(C)C)NC(=O)CNC(C)=O ZINC001401276621 889130788 /nfs/dbraw/zinc/13/07/88/889130788.db2.gz LPEPJNPVZZHTSF-NSHDSACASA-N 0 3 286.376 -1.011 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CS(C)(=O)=O ZINC001401198770 889130998 /nfs/dbraw/zinc/13/09/98/889130998.db2.gz FJOLQZVEZSTCMY-BDAKNGLRSA-N 0 3 291.373 -1.644 20 0 CAADHN C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNCC(N)=O ZINC001401314316 889131100 /nfs/dbraw/zinc/13/11/00/889131100.db2.gz UDANWUJSSOIKFU-MNOVXSKESA-N 0 3 294.359 -1.020 20 0 CAADHN CC(=O)NC[C@H](NCC(=O)N1CCNC(=O)C1)C(C)C ZINC001401312443 889131184 /nfs/dbraw/zinc/13/11/84/889131184.db2.gz NWTKZFZDZBAJKA-NSHDSACASA-N 0 3 284.360 -1.305 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001401217064 889131946 /nfs/dbraw/zinc/13/19/46/889131946.db2.gz SLOZMCVUAFMESO-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](O)CN1CCO[C@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001401171243 889131802 /nfs/dbraw/zinc/13/18/02/889131802.db2.gz USHFMKHQURVVHO-ZYHUDNBSSA-N 0 3 297.359 -1.065 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001401246646 889132074 /nfs/dbraw/zinc/13/20/74/889132074.db2.gz MZQLQPDAAITCID-AEJSXWLSSA-N 0 3 284.360 -1.190 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001401246649 889132108 /nfs/dbraw/zinc/13/21/08/889132108.db2.gz MZQLQPDAAITCID-BBBLOLIVSA-N 0 3 284.360 -1.190 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001401221098 889132548 /nfs/dbraw/zinc/13/25/48/889132548.db2.gz ATWBCGRVWCHJFC-JTQLQIEISA-N 0 3 299.375 -2.318 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)COCc1ccnn1C ZINC001401228005 889132726 /nfs/dbraw/zinc/13/27/26/889132726.db2.gz HOMSPSPLOOQPBT-SNVBAGLBSA-N 0 3 297.359 -1.142 20 0 CAADHN CC(C)c1nnnn1CC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001401244575 889132741 /nfs/dbraw/zinc/13/27/41/889132741.db2.gz LSVMPJXPPMBIIF-SECBINFHSA-N 0 3 297.363 -1.282 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001401230054 889132927 /nfs/dbraw/zinc/13/29/27/889132927.db2.gz UGTNXYPVCJGTGM-UWVGGRQHSA-N 0 3 284.360 -1.353 20 0 CAADHN CC(C)[C@H](CNC(=O)CN1CCCNC1=O)NCC(N)=O ZINC001401327261 889134239 /nfs/dbraw/zinc/13/42/39/889134239.db2.gz AILUTMWQLIFGPL-JTQLQIEISA-N 0 3 299.375 -1.383 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C(C)C ZINC001401379745 889134438 /nfs/dbraw/zinc/13/44/38/889134438.db2.gz KBXKYPJKADIAPL-VHSXEESVSA-N 0 3 284.360 -1.259 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(N)=O ZINC001401329592 889134842 /nfs/dbraw/zinc/13/48/42/889134842.db2.gz DIRQABZFHHAQKV-HTQZYQBOSA-N 0 3 271.321 -2.117 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)Cn1cncn1 ZINC001401414346 889135101 /nfs/dbraw/zinc/13/51/01/889135101.db2.gz JTJDTPOTQGVYGB-LLVKDONJSA-N 0 3 285.348 -1.324 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)NCC(N)=O ZINC001401326708 889135138 /nfs/dbraw/zinc/13/51/38/889135138.db2.gz CBGHXWPPBTZCGP-DTWKUNHWSA-N 0 3 293.389 -1.365 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001401386858 889136201 /nfs/dbraw/zinc/13/62/01/889136201.db2.gz YDMAXQJSVPZRMK-UWVGGRQHSA-N 0 3 288.348 -1.935 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001401433010 889136898 /nfs/dbraw/zinc/13/68/98/889136898.db2.gz BHSRQORUKPQNJB-SECBINFHSA-N 0 3 298.347 -1.852 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)co1 ZINC001401492461 889138526 /nfs/dbraw/zinc/13/85/26/889138526.db2.gz FVWBTHQZDQOPAD-HTRCEHHLSA-N 0 3 270.289 -1.463 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001401488985 889138396 /nfs/dbraw/zinc/13/83/96/889138396.db2.gz LKEAPPBCSIYWOW-NEPJUHHUSA-N 0 3 298.343 -1.598 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)CNC(=O)OC ZINC001401486599 889138735 /nfs/dbraw/zinc/13/87/35/889138735.db2.gz HFCYRGVIHRGQBL-QMMMGPOBSA-N 0 3 290.320 -2.455 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001401492434 889138826 /nfs/dbraw/zinc/13/88/26/889138826.db2.gz IBLDKMFMNPORRN-IONNQARKSA-N 0 3 283.332 -1.467 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)[C@@H]2CCOC2)n[nH]1 ZINC001401480454 889139111 /nfs/dbraw/zinc/13/91/11/889139111.db2.gz BDBBYWHICRCPEN-NXEZZACHSA-N 0 3 283.332 -1.284 20 0 CAADHN Cc1cnc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001401491224 889139212 /nfs/dbraw/zinc/13/92/12/889139212.db2.gz MRNSQCAODFFPFB-IUCAKERBSA-N 0 3 281.316 -1.661 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)co1 ZINC001401492463 889139367 /nfs/dbraw/zinc/13/93/67/889139367.db2.gz FVWBTHQZDQOPAD-POYBYMJQSA-N 0 3 270.289 -1.463 20 0 CAADHN Cc1cnn(CC(=O)NC[C@H](O)CNCC(=O)N(C)C)c1 ZINC001401484125 889139791 /nfs/dbraw/zinc/13/97/91/889139791.db2.gz DVEHNDBSGLNIDB-LLVKDONJSA-N 0 3 297.359 -1.654 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)cn1 ZINC001401483478 889139849 /nfs/dbraw/zinc/13/98/49/889139849.db2.gz JOQCJFBKHCHOBU-LLVKDONJSA-N 0 3 295.343 -1.621 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnns1)NC1CC1 ZINC001401482470 889139900 /nfs/dbraw/zinc/13/99/00/889139900.db2.gz DNJKMXRUFYZZLI-QMMMGPOBSA-N 0 3 299.356 -1.503 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCc1cncs1 ZINC001401491207 889140370 /nfs/dbraw/zinc/14/03/70/889140370.db2.gz VCFRGDRTIAWZIF-SECBINFHSA-N 0 3 286.357 -1.154 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)[C@@H]2CCOC2)n[nH]1 ZINC001401480474 889140702 /nfs/dbraw/zinc/14/07/02/889140702.db2.gz BDBBYWHICRCPEN-ZJUUUORDSA-N 0 3 283.332 -1.284 20 0 CAADHN Cc1cnn(CC(=O)NC[C@@H](O)CNCC(=O)N(C)C)c1 ZINC001401484128 889140818 /nfs/dbraw/zinc/14/08/18/889140818.db2.gz DVEHNDBSGLNIDB-NSHDSACASA-N 0 3 297.359 -1.654 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cn[nH]c1)C(=O)NC1CC1 ZINC001401485727 889140927 /nfs/dbraw/zinc/14/09/27/889140927.db2.gz HQOMSPDFRIMOQI-KCJUWKMLSA-N 0 3 295.343 -1.243 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCc1cncs1 ZINC001401491212 889141057 /nfs/dbraw/zinc/14/10/57/889141057.db2.gz VCFRGDRTIAWZIF-VIFPVBQESA-N 0 3 286.357 -1.154 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2CCOC2)n[nH]1 ZINC001401480458 889141190 /nfs/dbraw/zinc/14/11/90/889141190.db2.gz BDBBYWHICRCPEN-UWVGGRQHSA-N 0 3 283.332 -1.284 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001401496565 889142202 /nfs/dbraw/zinc/14/22/02/889142202.db2.gz UNCBHMGXIVLTGJ-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN Cc1ccnc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1 ZINC001401496265 889142608 /nfs/dbraw/zinc/14/26/08/889142608.db2.gz UIGCSSMNUSILOC-UWVGGRQHSA-N 0 3 293.327 -1.646 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C1CC1 ZINC001401496139 889142660 /nfs/dbraw/zinc/14/26/60/889142660.db2.gz WXTFWERIVRIOHS-APPZFPTMSA-N 0 3 286.332 -1.693 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cncnc1C)C(N)=O ZINC001401496662 889142766 /nfs/dbraw/zinc/14/27/66/889142766.db2.gz RORCTBWRGOEODF-MWLCHTKSSA-N 0 3 295.343 -1.271 20 0 CAADHN CCN(CC)C(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001401497096 889142873 /nfs/dbraw/zinc/14/28/73/889142873.db2.gz WHQRLKBSEJUINJ-LLVKDONJSA-N 0 3 297.359 -1.042 20 0 CAADHN CN1CCC[C@H](NC[C@@H](O)CNC(=O)c2cocn2)C1=O ZINC001401497948 889142957 /nfs/dbraw/zinc/14/29/57/889142957.db2.gz MYRGLSGEIKTCMO-ZJUUUORDSA-N 0 3 296.327 -1.024 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001401492682 889143216 /nfs/dbraw/zinc/14/32/16/889143216.db2.gz RQQGLONNQCXZHJ-SNVBAGLBSA-N 0 3 294.319 -2.327 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCO1 ZINC001401496562 889143265 /nfs/dbraw/zinc/14/32/65/889143265.db2.gz UNCBHMGXIVLTGJ-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN Cc1ccnc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001401496267 889143580 /nfs/dbraw/zinc/14/35/80/889143580.db2.gz UIGCSSMNUSILOC-VHSXEESVSA-N 0 3 293.327 -1.646 20 0 CAADHN CN1CCC[C@H](NC[C@H](O)CNC(=O)c2cocn2)C1=O ZINC001401497943 889143669 /nfs/dbraw/zinc/14/36/69/889143669.db2.gz MYRGLSGEIKTCMO-UWVGGRQHSA-N 0 3 296.327 -1.024 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cnns1 ZINC001401495149 889143688 /nfs/dbraw/zinc/14/36/88/889143688.db2.gz VGGMEDFUERQYOY-BQBZGAKWSA-N 0 3 285.329 -1.893 20 0 CAADHN CN1CCC[C@@H](NC[C@H](O)CNC(=O)c2cocn2)C1=O ZINC001401497945 889143773 /nfs/dbraw/zinc/14/37/73/889143773.db2.gz MYRGLSGEIKTCMO-VHSXEESVSA-N 0 3 296.327 -1.024 20 0 CAADHN CCCC(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001401492724 889143944 /nfs/dbraw/zinc/14/39/44/889143944.db2.gz XPEGLGOQNPUVCD-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001401493645 889143979 /nfs/dbraw/zinc/14/39/79/889143979.db2.gz BXMVXFWJJJINRW-KOLCDFICSA-N 0 3 297.359 -1.836 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001401493467 889143993 /nfs/dbraw/zinc/14/39/93/889143993.db2.gz BRSBUNSYICCDQJ-HTQZYQBOSA-N 0 3 284.320 -2.148 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCn1cccn1)C(N)=O ZINC001401494249 889144121 /nfs/dbraw/zinc/14/41/21/889144121.db2.gz SQDDBCKJDPJGJV-NXEZZACHSA-N 0 3 283.332 -1.786 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C1CC1 ZINC001401496144 889144196 /nfs/dbraw/zinc/14/41/96/889144196.db2.gz WXTFWERIVRIOHS-IONNQARKSA-N 0 3 286.332 -1.693 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)C1=CCOCC1 ZINC001401496632 889144218 /nfs/dbraw/zinc/14/42/18/889144218.db2.gz KQSNHTFPMBNVJX-NEPJUHHUSA-N 0 3 297.355 -1.322 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccncc1C ZINC001401494010 889144332 /nfs/dbraw/zinc/14/43/32/889144332.db2.gz AJDHRZLTNCGOIX-GFCCVEGCSA-N 0 3 294.355 -1.255 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)C1=CCOCC1 ZINC001401496694 889144390 /nfs/dbraw/zinc/14/43/90/889144390.db2.gz KQSNHTFPMBNVJX-VXGBXAGGSA-N 0 3 297.355 -1.322 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cncnc1C)C(N)=O ZINC001401496631 889144409 /nfs/dbraw/zinc/14/44/09/889144409.db2.gz RORCTBWRGOEODF-GXSJLCMTSA-N 0 3 295.343 -1.271 20 0 CAADHN CCN(CC)C(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001401497104 889144506 /nfs/dbraw/zinc/14/45/06/889144506.db2.gz WHQRLKBSEJUINJ-NSHDSACASA-N 0 3 297.359 -1.042 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)n1cncn1 ZINC001401500753 889145547 /nfs/dbraw/zinc/14/55/47/889145547.db2.gz NMTQIMWVCSQHDA-BDAKNGLRSA-N 0 3 284.320 -2.348 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001401504319 889146183 /nfs/dbraw/zinc/14/61/83/889146183.db2.gz LFHXWNMRSNLFKG-BDAKNGLRSA-N 0 3 296.331 -2.133 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001401503812 889146213 /nfs/dbraw/zinc/14/62/13/889146213.db2.gz HMTZEJRNLSOPBU-HTRCEHHLSA-N 0 3 293.345 -3.029 20 0 CAADHN CC(C)OCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001401501510 889146296 /nfs/dbraw/zinc/14/62/96/889146296.db2.gz WAYUEYTZCVIGBD-VHSXEESVSA-N 0 3 273.333 -1.633 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001401507744 889146553 /nfs/dbraw/zinc/14/65/53/889146553.db2.gz OIBJRPWVZOPMPO-UWVGGRQHSA-N 0 3 295.343 -1.371 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)n1cncn1 ZINC001401500757 889146768 /nfs/dbraw/zinc/14/67/68/889146768.db2.gz NMTQIMWVCSQHDA-DTWKUNHWSA-N 0 3 284.320 -2.348 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CNCc2cnn(C)c2)n1 ZINC001401501757 889146779 /nfs/dbraw/zinc/14/67/79/889146779.db2.gz GDARYILWTGJTMP-SNVBAGLBSA-N 0 3 293.331 -1.571 20 0 CAADHN O=C(NC[C@@H](O)CNCc1ccccn1)[C@@H]1COC(=O)N1 ZINC001401504976 889146797 /nfs/dbraw/zinc/14/67/97/889146797.db2.gz JIKAYYDETQVWNN-QWRGUYRKSA-N 0 3 294.311 -1.243 20 0 CAADHN CC(C)OCC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001401499937 889146884 /nfs/dbraw/zinc/14/68/84/889146884.db2.gz UPMMLJVAWVFNTG-LLVKDONJSA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CNCC(=O)N(C)C)nnn1C ZINC001401503618 889146896 /nfs/dbraw/zinc/14/68/96/889146896.db2.gz HFHXPCOGQCWNKQ-SECBINFHSA-N 0 3 298.347 -2.108 20 0 CAADHN CC(C)OCC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001401499945 889146906 /nfs/dbraw/zinc/14/69/06/889146906.db2.gz UPMMLJVAWVFNTG-NSHDSACASA-N 0 3 287.360 -1.290 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccnn1C)C(N)=O ZINC001401502608 889146925 /nfs/dbraw/zinc/14/69/25/889146925.db2.gz PMUNTRGQLIDJLJ-IUCAKERBSA-N 0 3 283.332 -1.636 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001401507757 889146988 /nfs/dbraw/zinc/14/69/88/889146988.db2.gz OIBJRPWVZOPMPO-ZJUUUORDSA-N 0 3 295.343 -1.371 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CC1(O)CCC1 ZINC001401506224 889147009 /nfs/dbraw/zinc/14/70/09/889147009.db2.gz NFLXXWYNOYWBDC-SNVBAGLBSA-N 0 3 287.360 -1.554 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccnn1C)C(N)=O ZINC001401502613 889147132 /nfs/dbraw/zinc/14/71/32/889147132.db2.gz PMUNTRGQLIDJLJ-RKDXNWHRSA-N 0 3 283.332 -1.636 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001401503834 889147145 /nfs/dbraw/zinc/14/71/45/889147145.db2.gz HMTZEJRNLSOPBU-SVRRBLITSA-N 0 3 293.345 -3.029 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cnn1 ZINC001401498801 889147266 /nfs/dbraw/zinc/14/72/66/889147266.db2.gz WWLAVJWCVZRPMR-WCBMZHEXSA-N 0 3 281.316 -1.661 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CNCC(=O)NC)cn1 ZINC001401502077 889147362 /nfs/dbraw/zinc/14/73/62/889147362.db2.gz FSVWYXDULYVQDS-SNVBAGLBSA-N 0 3 283.332 -1.671 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cnn1 ZINC001401498798 889147646 /nfs/dbraw/zinc/14/76/46/889147646.db2.gz WWLAVJWCVZRPMR-PSASIEDQSA-N 0 3 281.316 -1.661 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cc(C)ncn1 ZINC001401520978 889148909 /nfs/dbraw/zinc/14/89/09/889148909.db2.gz RWXFRTWWUJNJOW-ZJUUUORDSA-N 0 3 295.343 -1.400 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCCCO1 ZINC001401517201 889149109 /nfs/dbraw/zinc/14/91/09/889149109.db2.gz OSZXNOOYKDMSIK-QWRGUYRKSA-N 0 3 287.360 -1.242 20 0 CAADHN COCC1(CC(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001401509960 889149213 /nfs/dbraw/zinc/14/92/13/889149213.db2.gz QYPAQDNHYWHOMR-GHMZBOCLSA-N 0 3 299.371 -1.242 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CCn1cncn1 ZINC001401515063 889149729 /nfs/dbraw/zinc/14/97/29/889149729.db2.gz RFGDBEXIEHAVNT-JTQLQIEISA-N 0 3 298.347 -2.177 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1nnn(C)c1C ZINC001401510403 889150027 /nfs/dbraw/zinc/15/00/27/889150027.db2.gz OGRHIPARAUMEGS-MRVPVSSYSA-N 0 3 284.320 -2.450 20 0 CAADHN COCC1(CC(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001401509970 889150326 /nfs/dbraw/zinc/15/03/26/889150326.db2.gz QYPAQDNHYWHOMR-QWRGUYRKSA-N 0 3 299.371 -1.242 20 0 CAADHN COc1cccc(F)c1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001401508627 889150342 /nfs/dbraw/zinc/15/03/42/889150342.db2.gz MKISDEOKTUFPIY-QMMMGPOBSA-N 0 3 299.302 -1.000 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1nnc(C)o1 ZINC001401518307 889150644 /nfs/dbraw/zinc/15/06/44/889150644.db2.gz ZUJRWMGNGVSLSG-QMMMGPOBSA-N 0 3 285.304 -2.267 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)cn1 ZINC001401518589 889150756 /nfs/dbraw/zinc/15/07/56/889150756.db2.gz UJTWBXYRDLHWEP-NWDGAFQWSA-N 0 3 292.339 -1.041 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cncc(F)c1)C(N)=O ZINC001401520552 889150785 /nfs/dbraw/zinc/15/07/85/889150785.db2.gz RQQXBRYVHFWCJG-XVKPBYJWSA-N 0 3 284.291 -1.225 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cccn1C ZINC001401522182 889151107 /nfs/dbraw/zinc/15/11/07/889151107.db2.gz WWEQFZKWVTZPMQ-ZJUUUORDSA-N 0 3 282.344 -1.160 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC ZINC001401517724 889151135 /nfs/dbraw/zinc/15/11/35/889151135.db2.gz YAGTYZQGDJSRFF-DTWKUNHWSA-N 0 3 298.347 -1.887 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001401510792 889151203 /nfs/dbraw/zinc/15/12/03/889151203.db2.gz XILYFPXBPLDIPZ-JTQLQIEISA-N 0 3 283.332 -2.225 20 0 CAADHN Cn1cc(CC(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)cn1 ZINC001401508873 889151211 /nfs/dbraw/zinc/15/12/11/889151211.db2.gz UMKLBFADYRCOPQ-QWRGUYRKSA-N 0 3 295.343 -2.082 20 0 CAADHN O=C(NC[C@@H](O)CNCc1ccns1)[C@H]1CCC(=O)N1 ZINC001401512692 889151238 /nfs/dbraw/zinc/15/12/38/889151238.db2.gz YATNUZBHOCYIFG-WCBMZHEXSA-N 0 3 298.368 -1.012 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)nn1 ZINC001401508602 889151312 /nfs/dbraw/zinc/15/13/12/889151312.db2.gz OOVOBQMWYFICQJ-RKDXNWHRSA-N 0 3 296.331 -2.274 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cncnc1)NC1CC1 ZINC001401509632 889151349 /nfs/dbraw/zinc/15/13/49/889151349.db2.gz ZIBRQZDVBIJUPF-NSHDSACASA-N 0 3 293.327 -1.565 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001401510794 889151391 /nfs/dbraw/zinc/15/13/91/889151391.db2.gz XILYFPXBPLDIPZ-SNVBAGLBSA-N 0 3 283.332 -2.225 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cccn1C ZINC001401521348 889151415 /nfs/dbraw/zinc/15/14/15/889151415.db2.gz WWEQFZKWVTZPMQ-NXEZZACHSA-N 0 3 282.344 -1.160 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001401512733 889151564 /nfs/dbraw/zinc/15/15/64/889151564.db2.gz VGEWPJUXMLZRGZ-SNVBAGLBSA-N 0 3 296.327 -1.058 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)CC1 ZINC001401540213 889152536 /nfs/dbraw/zinc/15/25/36/889152536.db2.gz BXMRPCPODQSLOD-JTQLQIEISA-N 0 3 287.360 -1.432 20 0 CAADHN O=C(Cc1cnoc1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001401541918 889152617 /nfs/dbraw/zinc/15/26/17/889152617.db2.gz AUYYJLQZBLHACV-ZJUUUORDSA-N 0 3 282.300 -1.828 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1n[nH]cc1F ZINC001401540012 889152661 /nfs/dbraw/zinc/15/26/61/889152661.db2.gz CYSBLKBFFXDIHK-POYBYMJQSA-N 0 3 285.279 -1.882 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001401550645 889153109 /nfs/dbraw/zinc/15/31/09/889153109.db2.gz YRORYWCBGBRUEN-ONGXEEELSA-N 0 3 295.343 -2.003 20 0 CAADHN Cn1ccc(CCC(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001401536564 889153121 /nfs/dbraw/zinc/15/31/21/889153121.db2.gz HLDCFMXERGCCHW-SNVBAGLBSA-N 0 3 283.332 -2.095 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1csnn1 ZINC001401550883 889153175 /nfs/dbraw/zinc/15/31/75/889153175.db2.gz QKFRPMQQOKBNFY-ZETCQYMHSA-N 0 3 287.345 -1.693 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1cncnc1)C(N)=O ZINC001401544325 889153270 /nfs/dbraw/zinc/15/32/70/889153270.db2.gz FXMOWQIKWXIEMK-KOLCDFICSA-N 0 3 295.343 -1.650 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001401549527 889153362 /nfs/dbraw/zinc/15/33/62/889153362.db2.gz FDOZEEQUGQSQKC-AEJSXWLSSA-N 0 3 298.343 -2.593 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)[nH]1 ZINC001401549060 889153398 /nfs/dbraw/zinc/15/33/98/889153398.db2.gz CCHDZDYPHGRQCH-APPZFPTMSA-N 0 3 283.332 -1.419 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccc2cc[nH]c2n1 ZINC001401536593 889153578 /nfs/dbraw/zinc/15/35/78/889153578.db2.gz INSSZQRPEWWCEV-VIFPVBQESA-N 0 3 291.311 -1.272 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001401548335 889153879 /nfs/dbraw/zinc/15/38/79/889153879.db2.gz IQEKZZJKCOOXGK-SNVBAGLBSA-N 0 3 283.332 -1.845 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cccc(=O)n1C)C(N)=O ZINC001401548530 889153967 /nfs/dbraw/zinc/15/39/67/889153967.db2.gz QCNYSCOAKNAPPN-DTWKUNHWSA-N 0 3 296.327 -2.061 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cccc(=O)n1C)C(N)=O ZINC001401548526 889154134 /nfs/dbraw/zinc/15/41/34/889154134.db2.gz QCNYSCOAKNAPPN-BDAKNGLRSA-N 0 3 296.327 -2.061 20 0 CAADHN O=C(Cc1cnoc1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001401541890 889154211 /nfs/dbraw/zinc/15/42/11/889154211.db2.gz AUYYJLQZBLHACV-NXEZZACHSA-N 0 3 282.300 -1.828 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)CCC(F)F ZINC001401544509 889154326 /nfs/dbraw/zinc/15/43/26/889154326.db2.gz GHPJIEPRSYNLTH-ZCFIWIBFSA-N 0 3 296.274 -1.707 20 0 CAADHN CCN1C[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)CC1=O ZINC001401536678 889154409 /nfs/dbraw/zinc/15/44/09/889154409.db2.gz HSPZTKDZRNPSKD-BDAKNGLRSA-N 0 3 286.332 -2.593 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cncn1C ZINC001401550318 889154508 /nfs/dbraw/zinc/15/45/08/889154508.db2.gz XBVXOWHZTHRGPU-SECBINFHSA-N 0 3 283.332 -1.811 20 0 CAADHN CC(C)(C)n1ccc(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001401542909 889154533 /nfs/dbraw/zinc/15/45/33/889154533.db2.gz PJCMRKWXIHZIJY-SECBINFHSA-N 0 3 297.359 -1.196 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1n[nH]cc1F ZINC001401540023 889154759 /nfs/dbraw/zinc/15/47/59/889154759.db2.gz CYSBLKBFFXDIHK-XPUUQOCRSA-N 0 3 285.279 -1.882 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001401544661 889154813 /nfs/dbraw/zinc/15/48/13/889154813.db2.gz PYASCNBPTMKLIB-ZJUUUORDSA-N 0 3 295.343 -1.703 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(OC)n(C)n1 ZINC001401541536 889154836 /nfs/dbraw/zinc/15/48/36/889154836.db2.gz DAWARPBUVSDPQT-MRVPVSSYSA-N 0 3 299.331 -2.145 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@@H](O)CNCC(N)=O)cn1C ZINC001401533995 889154858 /nfs/dbraw/zinc/15/48/58/889154858.db2.gz ASLPFVCUXJDMLI-VIFPVBQESA-N 0 3 296.327 -2.141 20 0 CAADHN CCN1C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)CC1=O ZINC001401536695 889154964 /nfs/dbraw/zinc/15/49/64/889154964.db2.gz HSPZTKDZRNPSKD-DTWKUNHWSA-N 0 3 286.332 -2.593 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(OC)ccn1 ZINC001401548217 889154993 /nfs/dbraw/zinc/15/49/93/889154993.db2.gz GHOJLLBKBQJNRA-SECBINFHSA-N 0 3 296.327 -1.484 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001401558181 889155982 /nfs/dbraw/zinc/15/59/82/889155982.db2.gz FJGDZPMRMSQBSV-JGVFFNPUSA-N 0 3 284.320 -2.370 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1cncn1C ZINC001401561955 889156043 /nfs/dbraw/zinc/15/60/43/889156043.db2.gz IFBFVWWXVZRBOI-NSHDSACASA-N 0 3 297.359 -1.835 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1oncc1C)C(N)=O ZINC001401560349 889156094 /nfs/dbraw/zinc/15/60/94/889156094.db2.gz HLDFKBSHOSESOW-BDAKNGLRSA-N 0 3 284.316 -1.073 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)CCC1 ZINC001401553304 889156947 /nfs/dbraw/zinc/15/69/47/889156947.db2.gz QVOBXPWQAJNVDC-UWVGGRQHSA-N 0 3 287.360 -1.256 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1[nH]c(C)nc1C ZINC001401563510 889156348 /nfs/dbraw/zinc/15/63/48/889156348.db2.gz WMRFWAVQNKPHOJ-PSASIEDQSA-N 0 3 297.359 -1.159 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cnn(C)n2)n[nH]1 ZINC001401557363 889156370 /nfs/dbraw/zinc/15/63/70/889156370.db2.gz CZDWMNJSMZCSES-QMMMGPOBSA-N 0 3 294.319 -1.878 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1oncc1C)C(N)=O ZINC001401560352 889156483 /nfs/dbraw/zinc/15/64/83/889156483.db2.gz HLDFKBSHOSESOW-DTWKUNHWSA-N 0 3 284.316 -1.073 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccnnc1)N1CCC1 ZINC001401551386 889156588 /nfs/dbraw/zinc/15/65/88/889156588.db2.gz CZPUEASWCYEHBX-LLVKDONJSA-N 0 3 293.327 -1.611 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001401561412 889156736 /nfs/dbraw/zinc/15/67/36/889156736.db2.gz YMQXALWWZAKDSQ-CWSCBRNRSA-N 0 3 285.344 -1.502 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1[nH]c(C)nc1C ZINC001401563555 889156754 /nfs/dbraw/zinc/15/67/54/889156754.db2.gz WMRFWAVQNKPHOJ-WCBMZHEXSA-N 0 3 297.359 -1.159 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001401556423 889157058 /nfs/dbraw/zinc/15/70/58/889157058.db2.gz ADVANWIYARPRFS-WPRPVWTQSA-N 0 3 295.343 -1.459 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001401555427 889157213 /nfs/dbraw/zinc/15/72/13/889157213.db2.gz KTESVTBRSBESLO-MRVPVSSYSA-N 0 3 281.316 -1.547 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001401563888 889157359 /nfs/dbraw/zinc/15/73/59/889157359.db2.gz OZHUVOCEHZOLBB-SFYZADRCSA-N 0 3 272.305 -2.935 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1C ZINC001401563521 889157395 /nfs/dbraw/zinc/15/73/95/889157395.db2.gz HYQYGNUXCDRYOO-VHSXEESVSA-N 0 3 295.343 -1.703 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001401564885 889157444 /nfs/dbraw/zinc/15/74/44/889157444.db2.gz CBQLTVUWNGIOCA-SECBINFHSA-N 0 3 283.332 -1.845 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1ncccc1F ZINC001401558308 889157730 /nfs/dbraw/zinc/15/77/30/889157730.db2.gz BQPTXASUGFHGKM-MRVPVSSYSA-N 0 3 284.291 -1.685 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1ncccc1F ZINC001401558318 889157827 /nfs/dbraw/zinc/15/78/27/889157827.db2.gz BQPTXASUGFHGKM-QMMMGPOBSA-N 0 3 284.291 -1.685 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cnn(C)n2)n[nH]1 ZINC001401557358 889157867 /nfs/dbraw/zinc/15/78/67/889157867.db2.gz CZDWMNJSMZCSES-MRVPVSSYSA-N 0 3 294.319 -1.878 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2csnn2)C1=O ZINC001401553460 889157962 /nfs/dbraw/zinc/15/79/62/889157962.db2.gz VVCDUTKPRMOFDV-SFYZADRCSA-N 0 3 299.356 -1.551 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cccnc1OC ZINC001401556271 889157987 /nfs/dbraw/zinc/15/79/87/889157987.db2.gz OKHQTMHWFRASPN-SECBINFHSA-N 0 3 296.327 -1.484 20 0 CAADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001401557877 889158036 /nfs/dbraw/zinc/15/80/36/889158036.db2.gz PHLGXPBIOFLUCB-OPRDCNLKSA-N 0 3 295.343 -1.924 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1cncn1C ZINC001401561947 889158105 /nfs/dbraw/zinc/15/81/05/889158105.db2.gz IFBFVWWXVZRBOI-LLVKDONJSA-N 0 3 297.359 -1.835 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001401564459 889158162 /nfs/dbraw/zinc/15/81/62/889158162.db2.gz KMXFHAYXEYVAMZ-HTQZYQBOSA-N 0 3 283.332 -1.474 20 0 CAADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001401557823 889158204 /nfs/dbraw/zinc/15/82/04/889158204.db2.gz PHLGXPBIOFLUCB-IVZWLZJFSA-N 0 3 295.343 -1.924 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)n1 ZINC001401556103 889158387 /nfs/dbraw/zinc/15/83/87/889158387.db2.gz BTNSHLIELMRIIT-IUCAKERBSA-N 0 3 296.331 -2.226 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001401555432 889158570 /nfs/dbraw/zinc/15/85/70/889158570.db2.gz KTESVTBRSBESLO-QMMMGPOBSA-N 0 3 281.316 -1.547 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2csnn2)C1=O ZINC001401553457 889158692 /nfs/dbraw/zinc/15/86/92/889158692.db2.gz VVCDUTKPRMOFDV-HTQZYQBOSA-N 0 3 299.356 -1.551 20 0 CAADHN Cn1cnnc1CNC[C@@H](O)CNC(=O)CN1CCCC1 ZINC001401572876 889159714 /nfs/dbraw/zinc/15/97/14/889159714.db2.gz SALIXPZIICMBFC-LLVKDONJSA-N 0 3 296.375 -1.522 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cn1nccc1C ZINC001401571143 889159814 /nfs/dbraw/zinc/15/98/14/889159814.db2.gz JNFKEAGPSHUXLY-NSHDSACASA-N 0 3 297.359 -1.606 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccncn1)C(N)=O ZINC001401566467 889160157 /nfs/dbraw/zinc/16/01/57/889160157.db2.gz AZNMRQPGAMDCTR-RKDXNWHRSA-N 0 3 281.316 -1.579 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)nn1 ZINC001401572456 889159931 /nfs/dbraw/zinc/15/99/31/889159931.db2.gz SWZDPKWXWPAWJW-SSDOTTSWSA-N 0 3 283.288 -2.349 20 0 CAADHN O=C(Cn1ccnc1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001401568208 889160444 /nfs/dbraw/zinc/16/04/44/889160444.db2.gz GQYNJJZPGYOWSM-MNOVXSKESA-N 0 3 295.343 -1.772 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccncn1)C(N)=O ZINC001401566462 889160997 /nfs/dbraw/zinc/16/09/97/889160997.db2.gz AZNMRQPGAMDCTR-IUCAKERBSA-N 0 3 281.316 -1.579 20 0 CAADHN CCN(CC)C(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001401573717 889161142 /nfs/dbraw/zinc/16/11/42/889161142.db2.gz GPFDVCAGSCXBRZ-VIFPVBQESA-N 0 3 299.331 -1.382 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1[nH]cnc1C ZINC001401572143 889161290 /nfs/dbraw/zinc/16/12/90/889161290.db2.gz UWZJCVOWTPOKKM-SECBINFHSA-N 0 3 283.332 -1.927 20 0 CAADHN COc1cccc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001401565595 889161457 /nfs/dbraw/zinc/16/14/57/889161457.db2.gz JOUOBYBZDAGLJC-SNVBAGLBSA-N 0 3 281.312 -1.139 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001401566131 889161467 /nfs/dbraw/zinc/16/14/67/889161467.db2.gz MCWSWEGQLSFCMX-QWRGUYRKSA-N 0 3 292.339 -1.652 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001401566114 889161698 /nfs/dbraw/zinc/16/16/98/889161698.db2.gz MCWSWEGQLSFCMX-GHMZBOCLSA-N 0 3 292.339 -1.652 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001401568336 889162124 /nfs/dbraw/zinc/16/21/24/889162124.db2.gz HFAVSVKZOYWOBW-NXEZZACHSA-N 0 3 283.332 -1.916 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001401572470 889162142 /nfs/dbraw/zinc/16/21/42/889162142.db2.gz SXCGRWXOIAVCBK-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccn(C)n1)C(N)=O ZINC001401581767 889163402 /nfs/dbraw/zinc/16/34/02/889163402.db2.gz NVTQALMEJAEQNA-DTWKUNHWSA-N 0 3 283.332 -1.636 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC12CCOCC2 ZINC001401577459 889163423 /nfs/dbraw/zinc/16/34/23/889163423.db2.gz MONQGLKJXLOHDC-GHMZBOCLSA-N 0 3 299.371 -1.384 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cccnn1)N1CCC1 ZINC001401576325 889163478 /nfs/dbraw/zinc/16/34/78/889163478.db2.gz ORPYEDDCRCCEDV-JTQLQIEISA-N 0 3 293.327 -1.611 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccn(C)n1)C(N)=O ZINC001401581769 889163502 /nfs/dbraw/zinc/16/35/02/889163502.db2.gz NVTQALMEJAEQNA-IUCAKERBSA-N 0 3 283.332 -1.636 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1cncn1C)C(N)=O ZINC001401585180 889163558 /nfs/dbraw/zinc/16/35/58/889163558.db2.gz OPMYCXIMVZONPJ-WDEREUQCSA-N 0 3 297.359 -1.707 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001401576961 889163583 /nfs/dbraw/zinc/16/35/83/889163583.db2.gz ZORXBUJUWYGDEZ-UWVGGRQHSA-N 0 3 296.327 -1.058 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccncn1)N1CCC1 ZINC001401582401 889163679 /nfs/dbraw/zinc/16/36/79/889163679.db2.gz NUPXQNJKBCKSDX-SNVBAGLBSA-N 0 3 293.327 -1.611 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001401577466 889163714 /nfs/dbraw/zinc/16/37/14/889163714.db2.gz MONQGLKJXLOHDC-MNOVXSKESA-N 0 3 299.371 -1.384 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cccnn1)N1CCC1 ZINC001401576328 889163750 /nfs/dbraw/zinc/16/37/50/889163750.db2.gz ORPYEDDCRCCEDV-SNVBAGLBSA-N 0 3 293.327 -1.611 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cn1nccc1C ZINC001401576747 889163919 /nfs/dbraw/zinc/16/39/19/889163919.db2.gz PVQYEMACMHDPIE-GHMZBOCLSA-N 0 3 297.359 -1.607 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cccnn1)NC1CC1 ZINC001401576094 889164173 /nfs/dbraw/zinc/16/41/73/889164173.db2.gz NEKRMLSRQZRDAH-SNVBAGLBSA-N 0 3 293.327 -1.565 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cccnn1)NC1CC1 ZINC001401576092 889164444 /nfs/dbraw/zinc/16/44/44/889164444.db2.gz NEKRMLSRQZRDAH-JTQLQIEISA-N 0 3 293.327 -1.565 20 0 CAADHN CCc1nc(C)c(C(=O)NC[C@@H](O)CNCC(=O)NC)o1 ZINC001401574576 889164524 /nfs/dbraw/zinc/16/45/24/889164524.db2.gz WSTWIHWXEKYGSU-VIFPVBQESA-N 0 3 298.343 -1.028 20 0 CAADHN Cn1nnnc1CNC[C@@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001401584611 889164593 /nfs/dbraw/zinc/16/45/93/889164593.db2.gz XQOVYWIJACMHKX-SECBINFHSA-N 0 3 294.319 -2.257 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1cncn1C)C(N)=O ZINC001401585169 889164872 /nfs/dbraw/zinc/16/48/72/889164872.db2.gz OPMYCXIMVZONPJ-MNOVXSKESA-N 0 3 297.359 -1.707 20 0 CAADHN CCn1cnc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)c1 ZINC001401585321 889165022 /nfs/dbraw/zinc/16/50/22/889165022.db2.gz OXUABPPBKBNETB-UWVGGRQHSA-N 0 3 295.343 -1.528 20 0 CAADHN Cc1cc(CNC[C@@H](O)CNC(=O)c2ncn[nH]2)no1 ZINC001401577910 889165204 /nfs/dbraw/zinc/16/52/04/889165204.db2.gz KJOPDNDBPYRBGC-SECBINFHSA-N 0 3 280.288 -1.018 20 0 CAADHN Cc1cc(CNC[C@@H](O)CNC(=O)c2nc[nH]n2)no1 ZINC001401577910 889165210 /nfs/dbraw/zinc/16/52/10/889165210.db2.gz KJOPDNDBPYRBGC-SECBINFHSA-N 0 3 280.288 -1.018 20 0 CAADHN CCn1cnc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)c1 ZINC001401585338 889165236 /nfs/dbraw/zinc/16/52/36/889165236.db2.gz OXUABPPBKBNETB-ZJUUUORDSA-N 0 3 295.343 -1.528 20 0 CAADHN CCn1cnc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)c1 ZINC001401585330 889165320 /nfs/dbraw/zinc/16/53/20/889165320.db2.gz OXUABPPBKBNETB-VHSXEESVSA-N 0 3 295.343 -1.528 20 0 CAADHN Cn1cnnc1CNC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001401582807 889165819 /nfs/dbraw/zinc/16/58/19/889165819.db2.gz PDJPPGBJDWVBLG-SSDOTTSWSA-N 0 3 280.292 -2.186 20 0 CAADHN Cn1cnnc1CNC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001401582807 889165832 /nfs/dbraw/zinc/16/58/32/889165832.db2.gz PDJPPGBJDWVBLG-SSDOTTSWSA-N 0 3 280.292 -2.186 20 0 CAADHN CCc1nc(C)c(C(=O)NC[C@H](O)CNCC(=O)NC)o1 ZINC001401574569 889166089 /nfs/dbraw/zinc/16/60/89/889166089.db2.gz WSTWIHWXEKYGSU-SECBINFHSA-N 0 3 298.343 -1.028 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1cn(C)nn1)C(N)=O ZINC001401586333 889166846 /nfs/dbraw/zinc/16/68/46/889166846.db2.gz XXVFGCSUMNUFES-WCBMZHEXSA-N 0 3 298.347 -2.312 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)CN1CCCC1=O ZINC001401603615 889167023 /nfs/dbraw/zinc/16/70/23/889167023.db2.gz KKCCJIOLMZZCOJ-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CN1CCCC1=O ZINC001401608303 889167592 /nfs/dbraw/zinc/16/75/92/889167592.db2.gz XZEYBLGOHVJIOT-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)c1nnn(C)n1 ZINC001401596924 889167344 /nfs/dbraw/zinc/16/73/44/889167344.db2.gz FGRKLZZAZGHJDW-SECBINFHSA-N 0 3 295.347 -1.460 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001401597942 889167711 /nfs/dbraw/zinc/16/77/11/889167711.db2.gz BLOWFWPMXVMJJP-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@@H](OC)C(=O)N[C@H](C)CNCC(=O)NC(=O)NC ZINC001401609346 889167739 /nfs/dbraw/zinc/16/77/39/889167739.db2.gz WEUDLQOLQZXANG-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)c2cnon2)cn1 ZINC001401587542 889167786 /nfs/dbraw/zinc/16/77/86/889167786.db2.gz WGLHRERZHQJWHG-VIFPVBQESA-N 0 3 280.288 -1.316 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1cn(C)nn1)C(N)=O ZINC001401586315 889168207 /nfs/dbraw/zinc/16/82/07/889168207.db2.gz XXVFGCSUMNUFES-PSASIEDQSA-N 0 3 298.347 -2.312 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCCC1=O ZINC001401607116 889168335 /nfs/dbraw/zinc/16/83/35/889168335.db2.gz UEMSGJBUYZKWFR-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001401604753 889168460 /nfs/dbraw/zinc/16/84/60/889168460.db2.gz QWTPYJQJLLSDED-ZANVPECISA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H](C)CC(N)=O ZINC001401598748 889168487 /nfs/dbraw/zinc/16/84/87/889168487.db2.gz KXWGWZJDFHIEFY-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H](C)CC(N)=O ZINC001401598750 889168508 /nfs/dbraw/zinc/16/85/08/889168508.db2.gz KXWGWZJDFHIEFY-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H](C)NC(N)=O ZINC001401595748 889168556 /nfs/dbraw/zinc/16/85/56/889168556.db2.gz GPFLBTUGVKEMRI-SFYZADRCSA-N 0 3 273.337 -1.645 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CNC(=O)COC)C1=O ZINC001401593325 889168601 /nfs/dbraw/zinc/16/86/01/889168601.db2.gz DIISGQJMYGUEOW-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)CS(C)(=O)=O)C(N)=O ZINC001401594301 889168663 /nfs/dbraw/zinc/16/86/63/889168663.db2.gz ZQQNUEHKNJBSQJ-SECBINFHSA-N 0 3 293.389 -1.267 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccc[nH]1 ZINC001401591322 889168668 /nfs/dbraw/zinc/16/86/68/889168668.db2.gz VIZUWSQWGDQUMI-LLVKDONJSA-N 0 3 282.344 -1.240 20 0 CAADHN CCn1cnc(C(=O)NC[C@H](O)CNCC(=O)NC)c1 ZINC001401591148 889168715 /nfs/dbraw/zinc/16/87/15/889168715.db2.gz YTFYHIFDLXKFKV-SECBINFHSA-N 0 3 283.332 -1.671 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1nccnc1N ZINC001401611644 889168742 /nfs/dbraw/zinc/16/87/42/889168742.db2.gz JBKUKNWSDWZTOU-RKDXNWHRSA-N 0 3 292.343 -1.003 20 0 CAADHN CCOCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC(=O)NC ZINC001401605363 889168755 /nfs/dbraw/zinc/16/87/55/889168755.db2.gz OPJHWJXGYASCPF-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001401607299 889168815 /nfs/dbraw/zinc/16/88/15/889168815.db2.gz PDKATBVQCHXEMU-SECBINFHSA-N 0 3 293.389 -1.350 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H](C)NC(C)=O ZINC001401590304 889169013 /nfs/dbraw/zinc/16/90/13/889169013.db2.gz KFJZJLMPIBPGMT-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CCOCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC(=O)NC ZINC001401605371 889169018 /nfs/dbraw/zinc/16/90/18/889169018.db2.gz OPJHWJXGYASCPF-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001401622760 889169998 /nfs/dbraw/zinc/16/99/98/889169998.db2.gz SXRYDAOGFMPOMP-BDAKNGLRSA-N 0 3 285.348 -1.712 20 0 CAADHN C[C@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)Cn1ncnn1 ZINC001401618421 889170215 /nfs/dbraw/zinc/17/02/15/889170215.db2.gz LQPZSOAVQKMCRQ-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001401622115 889170748 /nfs/dbraw/zinc/17/07/48/889170748.db2.gz SSCWCLOZSYUCBT-GMTAPVOTSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001401617872 889170907 /nfs/dbraw/zinc/17/09/07/889170907.db2.gz BYVNPLNZEIYKJR-IWSPIJDZSA-N 0 3 270.333 -1.506 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001401624904 889170968 /nfs/dbraw/zinc/17/09/68/889170968.db2.gz UMBRWXKCSMYPSS-MRVPVSSYSA-N 0 3 296.331 -1.748 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001401633027 889170986 /nfs/dbraw/zinc/17/09/86/889170986.db2.gz PLFXVWZMCYJHJY-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001401628742 889171572 /nfs/dbraw/zinc/17/15/72/889171572.db2.gz ONPADNGFPOATKM-OPRDCNLKSA-N 0 3 282.344 -1.362 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001401625563 889171641 /nfs/dbraw/zinc/17/16/41/889171641.db2.gz KBBHBJRNGJBTJV-SSDOTTSWSA-N 0 3 277.346 -2.129 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001401682591 889173287 /nfs/dbraw/zinc/17/32/87/889173287.db2.gz VNQSEWRRVVFIPM-VHSXEESVSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001401669600 889173410 /nfs/dbraw/zinc/17/34/10/889173410.db2.gz OOSUUUIDLMPHSM-VXNVDRBHSA-N 0 3 293.327 -1.290 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001401642232 889173856 /nfs/dbraw/zinc/17/38/56/889173856.db2.gz XIPWSZYHYQFEJU-MRVPVSSYSA-N 0 3 283.332 -1.030 20 0 CAADHN C[C@H](CNCc1nncn1C)NC(=O)Cc1nnc[nH]1 ZINC001401658143 889173950 /nfs/dbraw/zinc/17/39/50/889173950.db2.gz USBCWOOKSMFELR-MRVPVSSYSA-N 0 3 278.320 -1.230 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1nocc1C ZINC001401641166 889174165 /nfs/dbraw/zinc/17/41/65/889174165.db2.gz VXCYSRUVGKKBKC-VIFPVBQESA-N 0 3 284.316 -1.201 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cn[nH]c1 ZINC001401673567 889174188 /nfs/dbraw/zinc/17/41/88/889174188.db2.gz FMLHZRPXVSAQRN-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ccnnc1 ZINC001401644551 889174656 /nfs/dbraw/zinc/17/46/56/889174656.db2.gz JOSGRBOCKLTDAB-MRVPVSSYSA-N 0 3 291.315 -1.194 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001401639133 889174880 /nfs/dbraw/zinc/17/48/80/889174880.db2.gz HPEVOCBRKBVTPI-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNCc1cncn1C)NC(=O)Cn1cnnn1 ZINC001401666994 889175006 /nfs/dbraw/zinc/17/50/06/889175006.db2.gz GWOHXRPRPCCUGH-VIFPVBQESA-N 0 3 278.320 -1.299 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)c1cnn(C)n1 ZINC001401651242 889174904 /nfs/dbraw/zinc/17/49/04/889174904.db2.gz JPAWEMATGJVSIN-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001401680950 889174971 /nfs/dbraw/zinc/17/49/71/889174971.db2.gz HKDYLPFNSKGYRN-UWVGGRQHSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001401641510 889175078 /nfs/dbraw/zinc/17/50/78/889175078.db2.gz DNHQONPYCWNHTQ-OUAUKWLOSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001401682593 889175113 /nfs/dbraw/zinc/17/51/13/889175113.db2.gz VOQQLQGGVBXPPH-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001401656977 889175294 /nfs/dbraw/zinc/17/52/94/889175294.db2.gz XJHKUJQMZUFBHU-RKDXNWHRSA-N 0 3 285.348 -1.501 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CCn1ccnn1 ZINC001401676792 889175594 /nfs/dbraw/zinc/17/55/94/889175594.db2.gz TYSMFEUEOMRQIV-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCc2nncn2C1 ZINC001401675792 889176121 /nfs/dbraw/zinc/17/61/21/889176121.db2.gz UVHRTCOTWJBTBF-ZJUUUORDSA-N 0 3 294.359 -1.319 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001401641509 889176457 /nfs/dbraw/zinc/17/64/57/889176457.db2.gz DNHQONPYCWNHTQ-GMTAPVOTSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001401657821 889176500 /nfs/dbraw/zinc/17/65/00/889176500.db2.gz JGTYIXIUNYPIOX-SFYZADRCSA-N 0 3 299.331 -2.185 20 0 CAADHN COC[C@@H](O)C[NH2+]C[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001401690821 889177650 /nfs/dbraw/zinc/17/76/50/889177650.db2.gz KBDPCBJIKVUSHL-IUCAKERBSA-N 0 3 284.316 -1.103 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001401723690 889177673 /nfs/dbraw/zinc/17/76/73/889177673.db2.gz LZIXXKHRKVFSDF-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001401722442 889177828 /nfs/dbraw/zinc/17/78/28/889177828.db2.gz HILKTKVPSDDQGB-DTWKUNHWSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CNC(=O)c1ccccc1 ZINC001401718368 889177951 /nfs/dbraw/zinc/17/79/51/889177951.db2.gz QIJJZLYEALWXDG-JTQLQIEISA-N 0 3 292.339 -1.004 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)NC(N)=O ZINC001401702115 889177972 /nfs/dbraw/zinc/17/79/72/889177972.db2.gz QHCHDZILRQQEPM-SQXHDICFSA-N 0 3 298.343 -1.444 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cc2n(n1)CCO2 ZINC001401685278 889178172 /nfs/dbraw/zinc/17/81/72/889178172.db2.gz KLTZIYMQYMMAIG-QMMMGPOBSA-N 0 3 281.316 -1.271 20 0 CAADHN CCN1CC[C@H](NC[C@H](C)NC(=O)c2nnn(C)n2)C1=O ZINC001401701847 889178257 /nfs/dbraw/zinc/17/82/57/889178257.db2.gz NTSKMLMLCZEZPR-IUCAKERBSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)CCNC(N)=O ZINC001401719784 889178308 /nfs/dbraw/zinc/17/83/08/889178308.db2.gz BRYROUBELCARJH-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001401710547 889178355 /nfs/dbraw/zinc/17/83/55/889178355.db2.gz YXFPUCNJZRFFKH-GDPRMGEGSA-N 0 3 296.371 -1.272 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)COCc1ccnn1C ZINC001401690770 889178430 /nfs/dbraw/zinc/17/84/30/889178430.db2.gz JRURRNRQTFGDMB-UWVGGRQHSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cn2c(n1)COCC2 ZINC001401693455 889178593 /nfs/dbraw/zinc/17/85/93/889178593.db2.gz JDEWXCOMLDIXLJ-QMMMGPOBSA-N 0 3 281.316 -1.394 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001401710616 889178638 /nfs/dbraw/zinc/17/86/38/889178638.db2.gz ZKRKWMOKNMUYBG-YIZRAAEISA-N 0 3 270.333 -1.662 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001401691170 889178734 /nfs/dbraw/zinc/17/87/34/889178734.db2.gz LSHCMVVQKRYLRA-AXFHLTTASA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CNCC(=O)NC(C)C ZINC001401688992 889178840 /nfs/dbraw/zinc/17/88/40/889178840.db2.gz WCWDQXSUWHWFTE-VIFPVBQESA-N 0 3 287.364 -1.466 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001401689859 889178939 /nfs/dbraw/zinc/17/89/39/889178939.db2.gz MMYWWKROXOSEQX-VHSXEESVSA-N 0 3 272.349 -1.713 20 0 CAADHN CC(C)c1nnnn1CC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001401710949 889179112 /nfs/dbraw/zinc/17/91/12/889179112.db2.gz FBBOIHZZPKVFMJ-IUCAKERBSA-N 0 3 297.363 -1.235 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001401699217 889179254 /nfs/dbraw/zinc/17/92/54/889179254.db2.gz FKDADARVNOJOLS-AEJSXWLSSA-N 0 3 284.360 -1.164 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001401714356 889179267 /nfs/dbraw/zinc/17/92/67/889179267.db2.gz UMEYXYWDZDLYQL-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)Cc1cnoc1 ZINC001401696429 889179299 /nfs/dbraw/zinc/17/92/99/889179299.db2.gz BKGXMNSFTWZOOX-QMMMGPOBSA-N 0 3 294.315 -1.067 20 0 CAADHN CO[C@H](C(=O)N[C@@H](C)CNCC(N)=O)c1cnn(C)c1 ZINC001401694219 889179311 /nfs/dbraw/zinc/17/93/11/889179311.db2.gz RHWGIZDCAATMBQ-KWQFWETISA-N 0 3 283.332 -1.313 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001401702369 889179328 /nfs/dbraw/zinc/17/93/28/889179328.db2.gz NNEMSDNMBRYUDW-NKWVEPMBSA-N 0 3 297.319 -2.616 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001401692217 889179368 /nfs/dbraw/zinc/17/93/68/889179368.db2.gz WNBJRFZYQMUMAZ-VIFPVBQESA-N 0 3 285.348 -2.660 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)C[C@H]1CCC(=O)N1 ZINC001401713205 889179417 /nfs/dbraw/zinc/17/94/17/889179417.db2.gz MINWKELMAHLGGN-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001401684085 889180075 /nfs/dbraw/zinc/18/00/75/889180075.db2.gz CGGNRIXBAZIOIK-QMMMGPOBSA-N 0 3 281.316 -1.766 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)COCc1nccn1C ZINC001401690736 889180467 /nfs/dbraw/zinc/18/04/67/889180467.db2.gz JFYLIMDPVAWURH-VIFPVBQESA-N 0 3 283.332 -1.484 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)c1nnn(C)n1 ZINC001401784511 889183803 /nfs/dbraw/zinc/18/38/03/889183803.db2.gz UVTFLAYUDXLFMS-SECBINFHSA-N 0 3 293.335 -1.448 20 0 CAADHN CCNC(=O)C[NH2+]C[C@@H](NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001401857293 889185526 /nfs/dbraw/zinc/18/55/26/889185526.db2.gz ATEWAXFMDVCRQQ-SNVBAGLBSA-N 0 3 294.359 -1.032 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)C[C@@H](C)NC(N)=O)C1CC1 ZINC001401844011 889185662 /nfs/dbraw/zinc/18/56/62/889185662.db2.gz GJOATTIFRVQSJV-SCZZXKLOSA-N 0 3 299.375 -1.336 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)c1nccnc1C(N)=O ZINC001401813707 889185710 /nfs/dbraw/zinc/18/57/10/889185710.db2.gz ZLCZICINODLIKH-MRVPVSSYSA-N 0 3 281.316 -1.382 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)c1nnn(C)n1)C1CC1)C(N)=O ZINC001401849663 889185948 /nfs/dbraw/zinc/18/59/48/889185948.db2.gz JZYNVMOBGXMVIS-HTRCEHHLSA-N 0 3 281.320 -1.818 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1CC1 ZINC001401838747 889185963 /nfs/dbraw/zinc/18/59/63/889185963.db2.gz CXXCFLJWLHYOCH-WDEREUQCSA-N 0 3 296.371 -1.305 20 0 CAADHN CN1CC[C@H](CC(=O)N[C@H](CNCC(N)=O)C2CC2)C1=O ZINC001401844602 889186113 /nfs/dbraw/zinc/18/61/13/889186113.db2.gz PEZSZNKTZWCATG-GHMZBOCLSA-N 0 3 296.371 -1.176 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001401829686 889186521 /nfs/dbraw/zinc/18/65/21/889186521.db2.gz JEPGYYUSJIOZGL-NXEZZACHSA-N 0 3 282.344 -1.518 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001401848446 889186731 /nfs/dbraw/zinc/18/67/31/889186731.db2.gz XVTHUPBUYVRTDM-ZJUUUORDSA-N 0 3 282.344 -1.375 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001401827846 889187094 /nfs/dbraw/zinc/18/70/94/889187094.db2.gz BHUSWLINRGHADJ-QWRGUYRKSA-N 0 3 284.360 -1.713 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](CN[C@H](C)C(N)=O)C2CC2)C1 ZINC001401836969 889187314 /nfs/dbraw/zinc/18/73/14/889187314.db2.gz OMPFNPYEYDPCBS-PRHODGIISA-N 0 3 296.371 -1.177 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)CN(C)CCOC ZINC001401795932 889187480 /nfs/dbraw/zinc/18/74/80/889187480.db2.gz BHFYNMFOVUYMOZ-VIFPVBQESA-N 0 3 281.378 -1.382 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001401839780 889187722 /nfs/dbraw/zinc/18/77/22/889187722.db2.gz GYWJDIWECJPTBM-CBAPKCEASA-N 0 3 285.348 -1.726 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001401839790 889187791 /nfs/dbraw/zinc/18/77/91/889187791.db2.gz GYWJDIWECJPTBM-VXNVDRBHSA-N 0 3 285.348 -1.726 20 0 CAADHN Cn1cc(C(=O)N[C@H](CNCC(N)=O)C2CC2)ccc1=O ZINC001401846184 889187821 /nfs/dbraw/zinc/18/78/21/889187821.db2.gz FYTWOBHCCVGJPL-LLVKDONJSA-N 0 3 292.339 -1.031 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001401839785 889187847 /nfs/dbraw/zinc/18/78/47/889187847.db2.gz GYWJDIWECJPTBM-IONNQARKSA-N 0 3 285.348 -1.726 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001401858748 889187902 /nfs/dbraw/zinc/18/79/02/889187902.db2.gz DRNUPOUIOHSMKT-NXEZZACHSA-N 0 3 292.343 -1.280 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001401829696 889187922 /nfs/dbraw/zinc/18/79/22/889187922.db2.gz JEPGYYUSJIOZGL-ZJUUUORDSA-N 0 3 282.344 -1.518 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CNCC(=O)NC1CC1)C1CC1 ZINC001401824461 889187933 /nfs/dbraw/zinc/18/79/33/889187933.db2.gz LFRNDYVDEBVNAU-LBPRGKRZSA-N 0 3 296.371 -1.115 20 0 CAADHN COC[C@H](O)CN1CC[C@@H]1CNC(=O)CCc1nnc[nH]1 ZINC001401879556 889188732 /nfs/dbraw/zinc/18/87/32/889188732.db2.gz RXIHZZBQMMNANB-GHMZBOCLSA-N 0 3 297.359 -1.065 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@H]1CCN1C(C)C ZINC001401894503 889190260 /nfs/dbraw/zinc/19/02/60/889190260.db2.gz AJQKMGGYRCAHDW-VIFPVBQESA-N 0 3 278.378 -1.361 20 0 CAADHN O=C(NCC1(N[C@H]2CCCNC2=O)CC1)[C@@H]1COCCO1 ZINC001401919630 889194807 /nfs/dbraw/zinc/19/48/07/889194807.db2.gz MGNSRUMYGPAIMZ-QWRGUYRKSA-N 0 3 297.355 -1.081 20 0 CAADHN CC[C@@H](NC1(CNC(=O)Cn2cncn2)CC1)C(N)=O ZINC001401981027 889196113 /nfs/dbraw/zinc/19/61/13/889196113.db2.gz AUOLHEXVIVLHHB-SECBINFHSA-N 0 3 280.332 -1.220 20 0 CAADHN C[C@H](NC1(CNC(=O)c2cnc[nH]c2=O)CC1)C(N)=O ZINC001401946978 889196906 /nfs/dbraw/zinc/19/69/06/889196906.db2.gz KYFJSARWDNJUFG-ZETCQYMHSA-N 0 3 279.300 -1.092 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001401945702 889198077 /nfs/dbraw/zinc/19/80/77/889198077.db2.gz RNOINUXFOSTXMK-WPRPVWTQSA-N 0 3 284.360 -1.129 20 0 CAADHN COC[C@H](O)CN1CC[C@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001402119944 889199482 /nfs/dbraw/zinc/19/94/82/889199482.db2.gz BHQVKBWLLRDNGJ-GYSYKLTISA-N 0 3 299.371 -1.147 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001402056487 889200404 /nfs/dbraw/zinc/20/04/04/889200404.db2.gz MBAASIQGSNIXOC-VIFPVBQESA-N 0 3 281.320 -1.871 20 0 CAADHN CNC(=O)NCCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001402056474 889202129 /nfs/dbraw/zinc/20/21/29/889202129.db2.gz GNSMLRCHGZUOQI-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN COC[C@@H](O)CN1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001402140512 889202597 /nfs/dbraw/zinc/20/25/97/889202597.db2.gz PVUKQLXRTSJDIC-JQWIXIFHSA-N 0 3 298.347 -1.739 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001402175254 889203810 /nfs/dbraw/zinc/20/38/10/889203810.db2.gz HEXUBWMDLKYIFM-GHMZBOCLSA-N 0 3 296.327 -1.006 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001402189870 889204120 /nfs/dbraw/zinc/20/41/20/889204120.db2.gz UUDOICPBQKKIIR-JTQLQIEISA-N 0 3 280.332 -1.326 20 0 CAADHN Cc1nc(CC(=O)NCCN2CCN(CCO)CC2)n[nH]1 ZINC001402122960 889204865 /nfs/dbraw/zinc/20/48/65/889204865.db2.gz ZPAVPGNFAVRVOB-UHFFFAOYSA-N 0 3 296.375 -1.618 20 0 CAADHN O=C(CCc1ccncn1)NC[C@@]1(O)CCN(CCO)C1 ZINC001402260311 889209624 /nfs/dbraw/zinc/20/96/24/889209624.db2.gz APYLURUNKIOBGO-AWEZNQCLSA-N 0 3 294.355 -1.046 20 0 CAADHN CNC(=O)CN1CC[C@](O)(CNC(=O)[C@@H]2CCCN2C)C1 ZINC001402267582 889210691 /nfs/dbraw/zinc/21/06/91/889210691.db2.gz RXUUTMWRCVNMJA-FZMZJTMJSA-N 0 3 298.387 -1.620 20 0 CAADHN Cn1ncc(C(=O)NC[C@]2(O)CCN(CCO)C2)c1N ZINC001402269152 889212276 /nfs/dbraw/zinc/21/22/76/889212276.db2.gz RVRGZBSBFDDIJH-GFCCVEGCSA-N 0 3 283.332 -1.839 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001402263342 889212786 /nfs/dbraw/zinc/21/27/86/889212786.db2.gz JBDGTLLCTCZGSD-GZMMTYOYSA-N 0 3 274.321 -2.412 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2cn[nH]c2)CCOCC1 ZINC001402239059 889213240 /nfs/dbraw/zinc/21/32/40/889213240.db2.gz ZYLRQTZPABDYJW-UHFFFAOYSA-N 0 3 281.316 -1.236 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001402262514 889213934 /nfs/dbraw/zinc/21/39/34/889213934.db2.gz MPPSVLZQTGZXMH-ZJUUUORDSA-N 0 3 282.344 -1.505 20 0 CAADHN Cc1nnccc1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001402286220 889214708 /nfs/dbraw/zinc/21/47/08/889214708.db2.gz KEXWCAWKFZVIOM-CYBMUJFWSA-N 0 3 280.328 -1.056 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NC[C@@]1(O)CCN(CCO)C1 ZINC001402291783 889216130 /nfs/dbraw/zinc/21/61/30/889216130.db2.gz LZXGYVRCAGYOMG-GWCFXTLKSA-N 0 3 285.344 -1.800 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NC[C@@]1(O)CCN(CCO)C1 ZINC001402291794 889218276 /nfs/dbraw/zinc/21/82/76/889218276.db2.gz LZXGYVRCAGYOMG-MFKMUULPSA-N 0 3 285.344 -1.800 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001402280655 889218689 /nfs/dbraw/zinc/21/86/89/889218689.db2.gz VWVGAFRTCQKOFC-CYBMUJFWSA-N 0 3 296.327 -1.005 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)c1cnn(C)c1N)C1CC1)C(N)=O ZINC001402294597 889220749 /nfs/dbraw/zinc/22/07/49/889220749.db2.gz SOKKPLYSEJUOAD-GMSGAONNSA-N 0 3 294.359 -1.026 20 0 CAADHN COc1c(C(=O)NC[C@@]2(O)CCN(CCO)C2)cnn1C ZINC001402304796 889221390 /nfs/dbraw/zinc/22/13/90/889221390.db2.gz CORUUEVABZADTF-ZDUSSCGKSA-N 0 3 298.343 -1.412 20 0 CAADHN C[C@H](N[C@H](CNC(=O)c1cnn(C)c1N)C1CC1)C(N)=O ZINC001402294612 889221584 /nfs/dbraw/zinc/22/15/84/889221584.db2.gz SOKKPLYSEJUOAD-OIBJUYFYSA-N 0 3 294.359 -1.026 20 0 CAADHN COCc1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)no1 ZINC001402294540 889222127 /nfs/dbraw/zinc/22/21/27/889222127.db2.gz QBOCAJCBKXDLNN-ZDUSSCGKSA-N 0 3 299.327 -1.020 20 0 CAADHN C[C@H](N[C@H](CNC(=O)CS(C)(=O)=O)C1CC1)C(N)=O ZINC001402292462 889222480 /nfs/dbraw/zinc/22/24/80/889222480.db2.gz NWUCFWANAJYIPB-IONNQARKSA-N 0 3 291.373 -1.611 20 0 CAADHN COc1c(C(=O)NC[C@]2(O)CCN(CCO)C2)cnn1C ZINC001402304791 889223163 /nfs/dbraw/zinc/22/31/63/889223163.db2.gz CORUUEVABZADTF-CYBMUJFWSA-N 0 3 298.343 -1.412 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001402302541 889223541 /nfs/dbraw/zinc/22/35/41/889223541.db2.gz BRWLRHRVQGNOOS-MNOVXSKESA-N 0 3 285.344 -1.238 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](NCC(N)=O)C2CC2)CCNC(=O)C1 ZINC001402313882 889225088 /nfs/dbraw/zinc/22/50/88/889225088.db2.gz HRBSRLXWPYXCOQ-IINYFYTJSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CCNC(=O)C1 ZINC001402313886 889225383 /nfs/dbraw/zinc/22/53/83/889225383.db2.gz HRBSRLXWPYXCOQ-QMTHXVAHSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@]1(C(=O)NC[C@H](NCC(N)=O)C2CC2)CCNC(=O)C1 ZINC001402313872 889225519 /nfs/dbraw/zinc/22/55/19/889225519.db2.gz HRBSRLXWPYXCOQ-HZMBPMFUSA-N 0 3 296.371 -1.128 20 0 CAADHN CN1CC[C@H](CC(=O)NC[C@@H](NCC(N)=O)C2CC2)C1=O ZINC001402317552 889226575 /nfs/dbraw/zinc/22/65/75/889226575.db2.gz QAABNHSWTLXHBI-GHMZBOCLSA-N 0 3 296.371 -1.176 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001402327436 889229042 /nfs/dbraw/zinc/22/90/42/889229042.db2.gz ABSDRAAXZHKAMC-MRVPVSSYSA-N 0 3 279.300 -1.647 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001402327442 889229114 /nfs/dbraw/zinc/22/91/14/889229114.db2.gz ABSDRAAXZHKAMC-QMMMGPOBSA-N 0 3 279.300 -1.647 20 0 CAADHN CC[C@H](C(=O)NCC1(O)CN(C[C@@H](C)O)C1)N(C)C ZINC001402330500 889229268 /nfs/dbraw/zinc/22/92/68/889229268.db2.gz APGGHOBEWCLZOJ-GHMZBOCLSA-N 0 3 273.377 -1.130 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CCNC(N)=O)C1CC1 ZINC001402365395 889234154 /nfs/dbraw/zinc/23/41/54/889234154.db2.gz ABWHDXNVZFJQHT-VIFPVBQESA-N 0 3 285.348 -1.725 20 0 CAADHN CC[C@@H](C(=O)NCC1(O)CN(CC(=O)NC)C1)N(C)C ZINC001402360197 889234857 /nfs/dbraw/zinc/23/48/57/889234857.db2.gz YFCLIKUZAOBQGD-JTQLQIEISA-N 0 3 286.376 -1.765 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001402435084 889235394 /nfs/dbraw/zinc/23/53/94/889235394.db2.gz DNIWOMOQAZMFRU-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@]1(CO)CCCN(CCCO)C1 ZINC001402448880 889236713 /nfs/dbraw/zinc/23/67/13/889236713.db2.gz BNKJOQTVQILUNM-SUNKGSAMSA-N 0 3 299.371 -1.567 20 0 CAADHN COCC(=O)NCCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001402444110 889237104 /nfs/dbraw/zinc/23/71/04/889237104.db2.gz BKGPQCLCTKRAHA-VIFPVBQESA-N 0 3 286.332 -2.185 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001402443370 889237499 /nfs/dbraw/zinc/23/74/99/889237499.db2.gz HCXCRWXCRMIHMM-VIFPVBQESA-N 0 3 293.327 -1.290 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H](NCCF)C1CC1 ZINC001402383974 889238157 /nfs/dbraw/zinc/23/81/57/889238157.db2.gz SWJYIMNXGVFUAZ-SECBINFHSA-N 0 3 281.353 -1.011 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001402436641 889238522 /nfs/dbraw/zinc/23/85/22/889238522.db2.gz OIHABKDAXKPDAQ-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001402429192 889238572 /nfs/dbraw/zinc/23/85/72/889238572.db2.gz DKORWLAKQYQDQG-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1n[nH]cc1C ZINC001402459896 889239915 /nfs/dbraw/zinc/23/99/15/889239915.db2.gz CWOZIRRAIKOXPL-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN O=C(c1n[nH]cc1F)N(CCO)CCN[C@H]1CCNC1=O ZINC001402484302 889239932 /nfs/dbraw/zinc/23/99/32/889239932.db2.gz WUTVJRBNKUKFRK-VIFPVBQESA-N 0 3 299.306 -1.539 20 0 CAADHN Cc1cnoc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001402477641 889240145 /nfs/dbraw/zinc/24/01/45/889240145.db2.gz VLBDFQIAQAHMST-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)CCOC1 ZINC001402450648 889240629 /nfs/dbraw/zinc/24/06/29/889240629.db2.gz GZJJTOLYKCEBJB-TVQRCGJNSA-N 0 3 298.343 -1.202 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001402480071 889240771 /nfs/dbraw/zinc/24/07/71/889240771.db2.gz YDFZRKDGYMZLSU-SECBINFHSA-N 0 3 296.327 -1.315 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1n[nH]cc1F)C(N)=O ZINC001402480735 889241713 /nfs/dbraw/zinc/24/17/13/889241713.db2.gz QAMQKNLKPHAEFV-ZETCQYMHSA-N 0 3 287.295 -1.553 20 0 CAADHN O=C(c1n[nH]cc1F)N(CCO)CCN[C@@H]1CCNC1=O ZINC001402484297 889241406 /nfs/dbraw/zinc/24/14/06/889241406.db2.gz WUTVJRBNKUKFRK-SECBINFHSA-N 0 3 299.306 -1.539 20 0 CAADHN O=C(c1cnco1)N(CCO)CCN[C@H]1CCCNC1=O ZINC001402481350 889241442 /nfs/dbraw/zinc/24/14/42/889241442.db2.gz QRYYNXNYIYHYMU-JTQLQIEISA-N 0 3 296.327 -1.023 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1n[nH]cc1C ZINC001402459913 889241472 /nfs/dbraw/zinc/24/14/72/889241472.db2.gz CWOZIRRAIKOXPL-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN CS(=O)(=O)CCN[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001402463286 889242339 /nfs/dbraw/zinc/24/23/39/889242339.db2.gz UFTQTXJUMPTOCS-QMMMGPOBSA-N 0 3 287.345 -1.347 20 0 CAADHN CC(=O)N[C@@H](C(=O)N1CC[C@H](NCC(N)=O)C1)C(C)C ZINC001402460261 889242935 /nfs/dbraw/zinc/24/29/35/889242935.db2.gz KZMXZHGKRYNUNV-CMPLNLGQSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cc1cnoc1)C(N)=O ZINC001402485216 889242828 /nfs/dbraw/zinc/24/28/28/889242828.db2.gz XYJYVSAPTKJPKL-SECBINFHSA-N 0 3 284.316 -1.499 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001402451131 889243086 /nfs/dbraw/zinc/24/30/86/889243086.db2.gz HRERURMQHJOJDN-WDEREUQCSA-N 0 3 284.360 -1.162 20 0 CAADHN O=C(CCc1nnc[n-]1)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001402489754 889243178 /nfs/dbraw/zinc/24/31/78/889243178.db2.gz COPUFBUMHVMXRY-OPRDCNLKSA-N 0 3 292.343 -1.137 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@]1(CO)CCCN(CCCO)C1 ZINC001402448887 889243321 /nfs/dbraw/zinc/24/33/21/889243321.db2.gz BNKJOQTVQILUNM-UHIISALHSA-N 0 3 299.371 -1.567 20 0 CAADHN Cn1cnnc1COCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001402453181 889243787 /nfs/dbraw/zinc/24/37/87/889243787.db2.gz YABAEMLEECKXPW-VIFPVBQESA-N 0 3 296.331 -1.993 20 0 CAADHN C[C@H](CC(=O)N1CCCC[C@@H]1CNCC(N)=O)NC(N)=O ZINC001402525752 889244485 /nfs/dbraw/zinc/24/44/85/889244485.db2.gz USAVAXRSFQFLIS-NXEZZACHSA-N 0 3 299.375 -1.111 20 0 CAADHN CC(C)OCC(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001402540436 889245236 /nfs/dbraw/zinc/24/52/36/889245236.db2.gz HQBDLJYKOVEFMC-LLVKDONJSA-N 0 3 287.360 -1.290 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001402533291 889245528 /nfs/dbraw/zinc/24/55/28/889245528.db2.gz LCCJXQLLNUHKQH-BDAKNGLRSA-N 0 3 283.332 -1.876 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001402529802 889246270 /nfs/dbraw/zinc/24/62/70/889246270.db2.gz AECWJKNJOVDJNY-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN CC(C)OCC(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001402540444 889247572 /nfs/dbraw/zinc/24/75/72/889247572.db2.gz HQBDLJYKOVEFMC-NSHDSACASA-N 0 3 287.360 -1.290 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cn(C)cn1)C(N)=O ZINC001402565866 889248556 /nfs/dbraw/zinc/24/85/56/889248556.db2.gz XVGTVTPDDVXXDT-SNVBAGLBSA-N 0 3 297.359 -1.292 20 0 CAADHN COCCC(=O)N1CCO[C@@H](CNCC(=O)N(C)C)C1 ZINC001402586355 889248669 /nfs/dbraw/zinc/24/86/69/889248669.db2.gz DNPWZEPFKJRFNE-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cc(C)n[nH]1 ZINC001402560802 889249149 /nfs/dbraw/zinc/24/91/49/889249149.db2.gz SWTWIAHFGYIMQH-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cc(C)[nH]n1 ZINC001402560802 889249164 /nfs/dbraw/zinc/24/91/64/889249164.db2.gz SWTWIAHFGYIMQH-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN COCC(=O)N(CCO)CCN[C@@H](C)C(=O)NC(N)=O ZINC001402565952 889249188 /nfs/dbraw/zinc/24/91/88/889249188.db2.gz YFRCYJSWLWZLFP-QMMMGPOBSA-N 0 3 290.320 -2.373 20 0 CAADHN CCCC(=O)N(CCO)CCN[C@@H](C)C(=O)NC(N)=O ZINC001402543470 889249284 /nfs/dbraw/zinc/24/92/84/889249284.db2.gz LXELOUPKKVOWLA-VIFPVBQESA-N 0 3 288.348 -1.220 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)c2nnn(C)n2)CCC1 ZINC001402561928 889249491 /nfs/dbraw/zinc/24/94/91/889249491.db2.gz NNFFOBOPBNLYCK-UHFFFAOYSA-N 0 3 295.347 -1.412 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)C[C@H](C)OC)CCO1 ZINC001402587397 889249587 /nfs/dbraw/zinc/24/95/87/889249587.db2.gz AFFNKNUHADHXBR-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN Cc1cc(CC(=O)N(CCO)CCN[C@H](C)C(N)=O)no1 ZINC001402553398 889249754 /nfs/dbraw/zinc/24/97/54/889249754.db2.gz PYXJLWJEYGTILH-SNVBAGLBSA-N 0 3 298.343 -1.190 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)C[C@H](C)OC)CCO1 ZINC001402587403 889250250 /nfs/dbraw/zinc/25/02/50/889250250.db2.gz AFFNKNUHADHXBR-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CO[C@H](C)C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001402561220 889250516 /nfs/dbraw/zinc/25/05/16/889250516.db2.gz TZVPDELSHUBQOS-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN CO[C@@H](C)C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001402561247 889251049 /nfs/dbraw/zinc/25/10/49/889251049.db2.gz TZVPDELSHUBQOS-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)C[C@@H](C)OC)CCO1 ZINC001402587392 889250604 /nfs/dbraw/zinc/25/06/04/889250604.db2.gz AFFNKNUHADHXBR-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CCC(=O)NCC(=O)NCC1(NCC(=O)NC)CCC1 ZINC001402542450 889250676 /nfs/dbraw/zinc/25/06/76/889250676.db2.gz BTALKWNLVPTKFR-UHFFFAOYSA-N 0 3 284.360 -1.113 20 0 CAADHN CO[C@@H](C)C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001402561234 889251363 /nfs/dbraw/zinc/25/13/63/889251363.db2.gz TZVPDELSHUBQOS-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN COCC(=O)N1CCO[C@@H](CN[C@@H](C)C(=O)N(C)C)C1 ZINC001402596963 889252187 /nfs/dbraw/zinc/25/21/87/889252187.db2.gz UCRUKYGYRVXFDZ-QWRGUYRKSA-N 0 3 287.360 -1.074 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1)C(N)=O ZINC001402604163 889252605 /nfs/dbraw/zinc/25/26/05/889252605.db2.gz PTQKLCJWVDBZEA-ZJUUUORDSA-N 0 3 295.343 -1.357 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2ccc[nH]2)CCO1 ZINC001402593663 889252635 /nfs/dbraw/zinc/25/26/35/889252635.db2.gz HMBAVHBXOAYWIY-LLVKDONJSA-N 0 3 280.328 -1.141 20 0 CAADHN Cc1ncc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)n1C ZINC001402591939 889252935 /nfs/dbraw/zinc/25/29/35/889252935.db2.gz FAQBLFACLJZQNR-SNVBAGLBSA-N 0 3 295.343 -1.356 20 0 CAADHN COC1CC(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)C1 ZINC001402600151 889253616 /nfs/dbraw/zinc/25/36/16/889253616.db2.gz OKLGVCNYSXCXIB-ILDUYXDCSA-N 0 3 285.344 -1.286 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)n(C)n1 ZINC001402610789 889253668 /nfs/dbraw/zinc/25/36/68/889253668.db2.gz RDNVNVDDLMOZNL-JTQLQIEISA-N 0 3 295.343 -1.356 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1)C(N)=O ZINC001402599738 889253925 /nfs/dbraw/zinc/25/39/25/889253925.db2.gz LWEJMRFZGDEFFQ-NXEZZACHSA-N 0 3 295.343 -1.276 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ccncc2)CCO1 ZINC001402611102 889254078 /nfs/dbraw/zinc/25/40/78/889254078.db2.gz VXTNJLVJBVWBDW-NSHDSACASA-N 0 3 278.312 -1.003 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1)C(N)=O ZINC001402602920 889254470 /nfs/dbraw/zinc/25/44/70/889254470.db2.gz TXKDUPLMJKJHEC-DTWKUNHWSA-N 0 3 296.331 -1.881 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001402599979 889254492 /nfs/dbraw/zinc/25/44/92/889254492.db2.gz NDIRIAQYEJCZIW-VIFPVBQESA-N 0 3 282.304 -2.420 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CCc2ccon2)CCO1 ZINC001402613838 889255102 /nfs/dbraw/zinc/25/51/02/889255102.db2.gz WKBKVOSAWCJBKT-LLVKDONJSA-N 0 3 296.327 -1.091 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)[C@@H]2CCC(=O)N2)CCC1 ZINC001402593699 889255325 /nfs/dbraw/zinc/25/53/25/889255325.db2.gz TZVWSKFZEWWGCZ-JTQLQIEISA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)COC)CCO1 ZINC001402598906 889255494 /nfs/dbraw/zinc/25/54/94/889255494.db2.gz JUJMKYLXYOMBBV-QWRGUYRKSA-N 0 3 287.360 -1.168 20 0 CAADHN COCC(=O)N1CCO[C@@H](CNCC(=O)N2CCC2)C1 ZINC001402597595 889255887 /nfs/dbraw/zinc/25/58/87/889255887.db2.gz WYTZHZSXBLDNBS-NSHDSACASA-N 0 3 285.344 -1.318 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001402617566 889256021 /nfs/dbraw/zinc/25/60/21/889256021.db2.gz YPMDVSLLRMNSFE-SNVBAGLBSA-N 0 3 281.316 -1.746 20 0 CAADHN COCC1(C(=O)N2CCO[C@H](CNCC(N)=O)C2)CC1 ZINC001402605738 889256083 /nfs/dbraw/zinc/25/60/83/889256083.db2.gz NUURXOFNOHDHEO-SNVBAGLBSA-N 0 3 285.344 -1.285 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001402617563 889256212 /nfs/dbraw/zinc/25/62/12/889256212.db2.gz YPMDVSLLRMNSFE-JTQLQIEISA-N 0 3 281.316 -1.746 20 0 CAADHN CNC(=O)CN[C@@]1(CO)CCCN(C(=O)c2ccn[nH]2)C1 ZINC001402718096 889256785 /nfs/dbraw/zinc/25/67/85/889256785.db2.gz RQXQRXKTFOUCPN-ZDUSSCGKSA-N 0 3 295.343 -1.288 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001402766641 889256859 /nfs/dbraw/zinc/25/68/59/889256859.db2.gz BNTITGYVBPCCPG-WCBMZHEXSA-N 0 3 270.333 -1.614 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(=O)N(C)C)[C@@H](C)C1 ZINC001402774753 889256884 /nfs/dbraw/zinc/25/68/84/889256884.db2.gz ZJKMSIGBMYPYDH-ONGXEEELSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402760441 889256900 /nfs/dbraw/zinc/25/69/00/889256900.db2.gz MZBNKOQYNCCYSJ-AXFHLTTASA-N 0 3 296.371 -1.020 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2cnccn2)CCOCC1 ZINC001402745103 889257914 /nfs/dbraw/zinc/25/79/14/889257914.db2.gz NVNHFWYZRALLKY-UHFFFAOYSA-N 0 3 293.327 -1.170 20 0 CAADHN Cn1nncc1C(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001402747104 889258008 /nfs/dbraw/zinc/25/80/08/889258008.db2.gz RINNQPDNBBJQBF-UHFFFAOYSA-N 0 3 296.331 -1.831 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cc2ccon2)CCOCC1 ZINC001402746409 889258027 /nfs/dbraw/zinc/25/80/27/889258027.db2.gz ZINBYJINDVADJR-UHFFFAOYSA-N 0 3 296.327 -1.043 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1C ZINC001402774678 889258610 /nfs/dbraw/zinc/25/86/10/889258610.db2.gz SFUJNBBAHGCXQN-WPRPVWTQSA-N 0 3 293.327 -1.022 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1C ZINC001402767682 889259572 /nfs/dbraw/zinc/25/95/72/889259572.db2.gz BDQDJPUJOUIULW-WCBMZHEXSA-N 0 3 293.327 -1.434 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)CN1CCOCC1 ZINC001402756161 889260242 /nfs/dbraw/zinc/26/02/42/889260242.db2.gz XQGXDAKSUOORRR-GFCCVEGCSA-N 0 3 298.387 -1.225 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1COCCO1 ZINC001402746328 889260317 /nfs/dbraw/zinc/26/03/17/889260317.db2.gz RLJFVVFNFJVGGP-QWRGUYRKSA-N 0 3 285.344 -1.142 20 0 CAADHN C[C@@H]1CO[C@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)C1 ZINC001402793286 889260366 /nfs/dbraw/zinc/26/03/66/889260366.db2.gz GWUKTISCAULYMW-QWRGUYRKSA-N 0 3 299.371 -1.160 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@@H]1C ZINC001402800254 889261300 /nfs/dbraw/zinc/26/13/00/889261300.db2.gz ZGABOLYGFBFFGY-WCBMZHEXSA-N 0 3 294.359 -1.162 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COCCO1)NCC(=O)N(C)C ZINC001402832199 889261406 /nfs/dbraw/zinc/26/14/06/889261406.db2.gz DGCUQRBMOJRHIK-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN COCCC(=O)N1CCC(O)(CN[C@@H]2CCNC2=O)CC1 ZINC001402796040 889261458 /nfs/dbraw/zinc/26/14/58/889261458.db2.gz PPUUTJMPQFKGKG-LLVKDONJSA-N 0 3 299.371 -1.146 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCCNC1=O ZINC001402833802 889261479 /nfs/dbraw/zinc/26/14/79/889261479.db2.gz MJTPJIFFIWWWIU-WPRPVWTQSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1C ZINC001402795674 889261669 /nfs/dbraw/zinc/26/16/69/889261669.db2.gz QYQCQCBUTQCJRH-CABZTGNLSA-N 0 3 296.371 -1.353 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001402833101 889261731 /nfs/dbraw/zinc/26/17/31/889261731.db2.gz BZFOCMOMJIIXHM-JGVFFNPUSA-N 0 3 279.362 -1.740 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001402840044 889261802 /nfs/dbraw/zinc/26/18/02/889261802.db2.gz IETBSUVZLAGVNA-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COCCO1)NCC(=O)N(C)C ZINC001402832205 889261966 /nfs/dbraw/zinc/26/19/66/889261966.db2.gz DGCUQRBMOJRHIK-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](CNC(=O)CCn1cncn1)N[C@H]1CCN(C)C1=O ZINC001402842373 889262289 /nfs/dbraw/zinc/26/22/89/889262289.db2.gz QDXREAMDDBZFSO-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CNC(=O)CCn1cncn1)N[C@H]1CCN(C)C1=O ZINC001402842372 889262638 /nfs/dbraw/zinc/26/26/38/889262638.db2.gz QDXREAMDDBZFSO-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COCCO1)NCCS(C)(=O)=O ZINC001402834416 889262680 /nfs/dbraw/zinc/26/26/80/889262680.db2.gz JWUMAPCVAZDXLG-ZJUUUORDSA-N 0 3 294.373 -1.459 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cn[nH]c1 ZINC001402837418 889263079 /nfs/dbraw/zinc/26/30/79/889263079.db2.gz GHHNOYSHRMEJMO-ZETCQYMHSA-N 0 3 282.304 -1.427 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@@H]1C ZINC001402795677 889262828 /nfs/dbraw/zinc/26/28/28/889262828.db2.gz QYQCQCBUTQCJRH-JOYOIKCWSA-N 0 3 296.371 -1.353 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1C ZINC001402795681 889262949 /nfs/dbraw/zinc/26/29/49/889262949.db2.gz QYQCQCBUTQCJRH-SKDRFNHKSA-N 0 3 296.371 -1.353 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COCCO1)NCC(=O)N(C)C ZINC001402832193 889262988 /nfs/dbraw/zinc/26/29/88/889262988.db2.gz DGCUQRBMOJRHIK-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H](C)OC ZINC001402833414 889263135 /nfs/dbraw/zinc/26/31/35/889263135.db2.gz CWKHSDOLWDXKKR-YUMQZZPRSA-N 0 3 274.321 -1.429 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCCNC1=O ZINC001402833799 889263176 /nfs/dbraw/zinc/26/31/76/889263176.db2.gz MJTPJIFFIWWWIU-WCBMZHEXSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1)N[C@@H](C)C(=O)NC(N)=O ZINC001402841360 889263249 /nfs/dbraw/zinc/26/32/49/889263249.db2.gz BNTDGYURGVJFHJ-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001402833116 889263342 /nfs/dbraw/zinc/26/33/42/889263342.db2.gz BZFOCMOMJIIXHM-YUMQZZPRSA-N 0 3 279.362 -1.740 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)Cn1cccn1 ZINC001402841248 889263369 /nfs/dbraw/zinc/26/33/69/889263369.db2.gz AZJPHOPBTJQINQ-VIFPVBQESA-N 0 3 296.331 -1.567 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCn1ccnn1 ZINC001402868636 889265803 /nfs/dbraw/zinc/26/58/03/889265803.db2.gz NOIJFIPRPSFTSP-UWVGGRQHSA-N 0 3 282.348 -1.103 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NC1(CO)CCN(CCO)CC1 ZINC001402868661 889266036 /nfs/dbraw/zinc/26/60/36/889266036.db2.gz XWDJDRAXCGLHOL-NSHDSACASA-N 0 3 299.371 -1.552 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001402862938 889266055 /nfs/dbraw/zinc/26/60/55/889266055.db2.gz DLVHHJSBDDAAEW-QMMMGPOBSA-N 0 3 270.333 -1.695 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001402852008 889266120 /nfs/dbraw/zinc/26/61/20/889266120.db2.gz KOGQGBAMAUJNSZ-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001402853398 889266140 /nfs/dbraw/zinc/26/61/40/889266140.db2.gz QANPKXQZDXTEHN-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C1CC1)NCC(=O)NC1CC1 ZINC001402848813 889266774 /nfs/dbraw/zinc/26/67/74/889266774.db2.gz VIJIFDJHEKGTKJ-SECBINFHSA-N 0 3 296.371 -1.115 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001402869267 889266803 /nfs/dbraw/zinc/26/68/03/889266803.db2.gz KFVIFIOQQWMCSZ-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)N1CCCC1 ZINC001402870866 889266836 /nfs/dbraw/zinc/26/68/36/889266836.db2.gz NHIUKIKVFSHWHY-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)N[C@@H]1CCN(C)C1=O ZINC001402879073 889266892 /nfs/dbraw/zinc/26/68/92/889266892.db2.gz QTCXEIQUUNHFJY-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)NCc1cncn1C ZINC001402849152 889267020 /nfs/dbraw/zinc/26/70/20/889267020.db2.gz VYIWUBHDDLIYIZ-SECBINFHSA-N 0 3 278.320 -1.299 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)NC1CC1 ZINC001402861459 889267125 /nfs/dbraw/zinc/26/71/25/889267125.db2.gz BYYXTUCBVSWPLN-SFYZADRCSA-N 0 3 285.348 -1.584 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001402862250 889267188 /nfs/dbraw/zinc/26/71/88/889267188.db2.gz CPKNLJAHMJCHBK-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](CNC(=O)CC(C)(C)O)N[C@@H](C)C(=O)NC(N)=O ZINC001402877801 889267334 /nfs/dbraw/zinc/26/73/34/889267334.db2.gz ZRENUKACARSDNE-YUMQZZPRSA-N 0 3 288.348 -1.175 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)N[C@H]1CCCNC1=O ZINC001402876458 889267385 /nfs/dbraw/zinc/26/73/85/889267385.db2.gz JUXOOBQZZUIOGC-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)NC1CC1 ZINC001402874432 889268009 /nfs/dbraw/zinc/26/80/09/889268009.db2.gz TURBGZOQANPEKB-VXNVDRBHSA-N 0 3 284.316 -1.532 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCN(C)C1=O ZINC001402851589 889267889 /nfs/dbraw/zinc/26/78/89/889267889.db2.gz YOQVZFBMUQLOOG-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)N1CCCC1 ZINC001402870859 889268475 /nfs/dbraw/zinc/26/84/75/889268475.db2.gz NHIUKIKVFSHWHY-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CN1CCCNC1=O)C(N)=O ZINC001402929302 889270329 /nfs/dbraw/zinc/27/03/29/889270329.db2.gz NHCYTXJLNJKFNA-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)c1c[nH]c(=O)cn1 ZINC001402882750 889270751 /nfs/dbraw/zinc/27/07/51/889270751.db2.gz QGCWRWLMPDWFQX-UHFFFAOYSA-N 0 3 296.327 -1.681 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)N[C@@H](C)C(=O)NC1CC1 ZINC001402883544 889270773 /nfs/dbraw/zinc/27/07/73/889270773.db2.gz POCRCIQKMQQQDY-IUCAKERBSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cn1ncnn1)C(=O)NC1CC1 ZINC001402883539 889270795 /nfs/dbraw/zinc/27/07/95/889270795.db2.gz POCRCIQKMQQQDY-DTWKUNHWSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)NCC(N)=O ZINC001402923508 889270914 /nfs/dbraw/zinc/27/09/14/889270914.db2.gz FUNWYARSXHMEET-IUCAKERBSA-N 0 3 285.348 -1.643 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)NCC(N)=O ZINC001402923487 889271294 /nfs/dbraw/zinc/27/12/94/889271294.db2.gz FUNWYARSXHMEET-DTWKUNHWSA-N 0 3 285.348 -1.643 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCS(C)(=O)=O ZINC001402912350 889272305 /nfs/dbraw/zinc/27/23/05/889272305.db2.gz WFYABKAQAZQCJU-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1=O)NCC(N)=O ZINC001402900317 889272338 /nfs/dbraw/zinc/27/23/38/889272338.db2.gz BPVYNNKLWSEUFU-QMMMGPOBSA-N 0 3 272.305 -2.575 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@@H](C)NC(N)=O ZINC001402882142 889272967 /nfs/dbraw/zinc/27/29/67/889272967.db2.gz IHGOJWLNJGWOLN-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)Cn1cncn1 ZINC001402894353 889273251 /nfs/dbraw/zinc/27/32/51/889273251.db2.gz LFXMZXXULQWEPW-JTQLQIEISA-N 0 3 280.332 -1.266 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001402896976 889273379 /nfs/dbraw/zinc/27/33/79/889273379.db2.gz SMLIIQGVGDFSDE-SFYZADRCSA-N 0 3 271.321 -2.102 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)NCC(N)=O ZINC001402890568 889273416 /nfs/dbraw/zinc/27/34/16/889273416.db2.gz HCPBJMXEOWNPAU-QMMMGPOBSA-N 0 3 297.363 -1.450 20 0 CAADHN COCCN1CCC(CO)(NC(=O)Cc2nc[nH]n2)CC1 ZINC001402894659 889273771 /nfs/dbraw/zinc/27/37/71/889273771.db2.gz OIURCHWTVHBBFP-UHFFFAOYSA-N 0 3 297.359 -1.063 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001403003561 889274739 /nfs/dbraw/zinc/27/47/39/889274739.db2.gz HXBJBDCAPVQBDT-HTQZYQBOSA-N 0 3 283.336 -1.605 20 0 CAADHN CCN(CC)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001402975045 889274769 /nfs/dbraw/zinc/27/47/69/889274769.db2.gz FSBMRSSAZXYKBD-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001403010493 889274834 /nfs/dbraw/zinc/27/48/34/889274834.db2.gz YTALPQMAKUJYOZ-DTWKUNHWSA-N 0 3 288.348 -1.941 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)c1cnnn1C ZINC001403004109 889275269 /nfs/dbraw/zinc/27/52/69/889275269.db2.gz RBFYTWIULPGQLC-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001403007695 889275400 /nfs/dbraw/zinc/27/54/00/889275400.db2.gz QPNVABRXPVAXQT-SSDOTTSWSA-N 0 3 281.316 -1.433 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NC(C)(C)C ZINC001402992614 889275499 /nfs/dbraw/zinc/27/54/99/889275499.db2.gz ZNDKDRSHNUXCDD-DTWKUNHWSA-N 0 3 299.375 -1.323 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCNC(=O)NC ZINC001402993175 889275550 /nfs/dbraw/zinc/27/55/50/889275550.db2.gz NISIHJTWJUWZAJ-IUCAKERBSA-N 0 3 287.364 -1.466 20 0 CAADHN CCN(CC)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001402975050 889275779 /nfs/dbraw/zinc/27/57/79/889275779.db2.gz FSBMRSSAZXYKBD-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCNC(=O)NC ZINC001402993166 889275894 /nfs/dbraw/zinc/27/58/94/889275894.db2.gz NISIHJTWJUWZAJ-BDAKNGLRSA-N 0 3 287.364 -1.466 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NCC(N)=O ZINC001403008106 889276415 /nfs/dbraw/zinc/27/64/15/889276415.db2.gz RDDWUVNVYIYASP-YIZRAAEISA-N 0 3 270.333 -1.532 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCNC(=O)NC ZINC001402993170 889276646 /nfs/dbraw/zinc/27/66/46/889276646.db2.gz NISIHJTWJUWZAJ-DTWKUNHWSA-N 0 3 287.364 -1.466 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccc(C(N)=O)o1 ZINC001402947260 889276707 /nfs/dbraw/zinc/27/67/07/889276707.db2.gz WSBSCZMLHQXSDU-ZETCQYMHSA-N 0 3 282.300 -1.168 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001402975564 889277117 /nfs/dbraw/zinc/27/71/17/889277117.db2.gz GMEIBGIEGPUMSI-BDAKNGLRSA-N 0 3 285.348 -1.713 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCn1cncn1 ZINC001402963480 889277207 /nfs/dbraw/zinc/27/72/07/889277207.db2.gz SHTJHVBIELZNLR-VHSXEESVSA-N 0 3 282.348 -1.103 20 0 CAADHN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)NCCF ZINC001402945819 889277590 /nfs/dbraw/zinc/27/75/90/889277590.db2.gz RWUGFFVQEGPMIS-SNVBAGLBSA-N 0 3 274.340 -1.176 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CNC(=O)OC ZINC001402971846 889277622 /nfs/dbraw/zinc/27/76/22/889277622.db2.gz WAAKPVGKXZLLST-HTQZYQBOSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@@H](NC(=O)c1nnn(C)n1)[C@H](C)NCC(=O)N(C)C ZINC001403003569 889277982 /nfs/dbraw/zinc/27/79/82/889277982.db2.gz HXBJBDCAPVQBDT-JGVFFNPUSA-N 0 3 283.336 -1.605 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001402962541 889278057 /nfs/dbraw/zinc/27/80/57/889278057.db2.gz AVQWLDXDJOFOQL-RKDXNWHRSA-N 0 3 284.360 -1.307 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1nnn(C)c1C ZINC001402980553 889278255 /nfs/dbraw/zinc/27/82/55/889278255.db2.gz ZZNIDEAEYNDDHM-JGVFFNPUSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@H](CNC(=O)c1cccnn1)N[C@@H](C)C(=O)NC(N)=O ZINC001403071412 889279008 /nfs/dbraw/zinc/27/90/08/889279008.db2.gz VGBUJLZKTZYITD-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](CNC(=O)c1nc2ncccn2n1)N[C@@H](C)C(N)=O ZINC001403084156 889279042 /nfs/dbraw/zinc/27/90/42/889279042.db2.gz NCSFEMIHMLDAHR-YUMQZZPRSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCC(=O)NC(N)=O ZINC001403024286 889279156 /nfs/dbraw/zinc/27/91/56/889279156.db2.gz WGDNQVYITNNYFT-KYXWUPHJSA-N 0 3 298.343 -1.157 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCCC(N)=O ZINC001403058847 889279268 /nfs/dbraw/zinc/27/92/68/889279268.db2.gz XTIRIWNVRMVBOG-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001403045519 889279374 /nfs/dbraw/zinc/27/93/74/889279374.db2.gz JPCLDBCULLFGBA-UWVGGRQHSA-N 0 3 295.343 -1.399 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1nc2ncccn2n1 ZINC001403050355 889279616 /nfs/dbraw/zinc/27/96/16/889279616.db2.gz VKNNRJJSRUHXBO-HTQZYQBOSA-N 0 3 291.315 -1.294 20 0 CAADHN Cc1nn(CC(=O)NC[C@H](C)N[C@@H](C)C(N)=O)c(=O)n1C ZINC001403083621 889280036 /nfs/dbraw/zinc/28/00/36/889280036.db2.gz JKDYFICWVVKKLN-YUMQZZPRSA-N 0 3 298.347 -2.142 20 0 CAADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCC(=O)N1CCC1 ZINC001403020288 889280072 /nfs/dbraw/zinc/28/00/72/889280072.db2.gz RTSSQFPZZYJEDE-YGRLFVJLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NC(=O)CCn1cnccc1=O)[C@H](C)NCC(N)=O ZINC001403045543 889280103 /nfs/dbraw/zinc/28/01/03/889280103.db2.gz JPCLDBCULLFGBA-VHSXEESVSA-N 0 3 295.343 -1.399 20 0 CAADHN CNC(=O)c1ccc(C(=O)NC[C@@H](C)NCC(N)=O)cn1 ZINC001403081927 889280138 /nfs/dbraw/zinc/28/01/38/889280138.db2.gz JPAIJWZKIMSHEM-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)n[nH]1 ZINC001403013202 889280981 /nfs/dbraw/zinc/28/09/81/889280981.db2.gz UZOGNCIEUGDRBU-ZQARSLAVSA-N 0 3 280.332 -1.171 20 0 CAADHN CCn1nc(C(=O)N[C@H](C)[C@@H](C)NCC(N)=O)ccc1=O ZINC001403031549 889281317 /nfs/dbraw/zinc/28/13/17/889281317.db2.gz KGFNBSKNONHRQR-RKDXNWHRSA-N 0 3 295.343 -1.155 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)n[nH]1 ZINC001403012606 889281523 /nfs/dbraw/zinc/28/15/23/889281523.db2.gz VAQOSCKHOZTABM-APPZFPTMSA-N 0 3 295.347 -1.269 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCCC(N)=O ZINC001403058844 889282138 /nfs/dbraw/zinc/28/21/38/889282138.db2.gz XTIRIWNVRMVBOG-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1nc2ncccn2n1 ZINC001403050388 889282696 /nfs/dbraw/zinc/28/26/96/889282696.db2.gz VKNNRJJSRUHXBO-YUMQZZPRSA-N 0 3 291.315 -1.294 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)[C@H]2C[C@H]2C(N)=O)n[nH]1 ZINC001403013190 889282837 /nfs/dbraw/zinc/28/28/37/889282837.db2.gz UZOGNCIEUGDRBU-VDAHYXPESA-N 0 3 280.332 -1.171 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCN1CCOCC1 ZINC001403080066 889282897 /nfs/dbraw/zinc/28/28/97/889282897.db2.gz VNKDXAVKRUKQHP-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403061291 889282923 /nfs/dbraw/zinc/28/29/23/889282923.db2.gz TXYJUYYXFQHCBL-BQBZGAKWSA-N 0 3 285.304 -2.575 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCn1cnccc1=O ZINC001403045570 889283091 /nfs/dbraw/zinc/28/30/91/889283091.db2.gz JPCLDBCULLFGBA-ZJUUUORDSA-N 0 3 295.343 -1.399 20 0 CAADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)N[C@@H](C)C(N)=O ZINC001403146196 889283917 /nfs/dbraw/zinc/28/39/17/889283917.db2.gz HHXJIJLPCJANJE-IUCAKERBSA-N 0 3 282.348 -1.284 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)NCC(N)=O ZINC001403095575 889284065 /nfs/dbraw/zinc/28/40/65/889284065.db2.gz XMKLUKCDMZMIPV-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001403093221 889284093 /nfs/dbraw/zinc/28/40/93/889284093.db2.gz ZMKGVALCOGNUKR-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNC(=O)CCc1cn(C)nn1)N[C@H](C)C(N)=O ZINC001403146201 889284733 /nfs/dbraw/zinc/28/47/33/889284733.db2.gz HHXJIJLPCJANJE-RKDXNWHRSA-N 0 3 282.348 -1.284 20 0 CAADHN COCCn1cc(C(=O)NC[C@H](C)N(C)CCO)nn1 ZINC001403120263 889284830 /nfs/dbraw/zinc/28/48/30/889284830.db2.gz PTSFURLBXODDFW-JTQLQIEISA-N 0 3 285.348 -1.033 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N(C)CCn1cncn1 ZINC001403146349 889285938 /nfs/dbraw/zinc/28/59/38/889285938.db2.gz VDUWJWZSCGGQPS-JTQLQIEISA-N 0 3 297.363 -1.356 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1=O)N(C)CCO ZINC001403127570 889287331 /nfs/dbraw/zinc/28/73/31/889287331.db2.gz BVYQSKIATRDJJW-SNVBAGLBSA-N 0 3 273.333 -1.726 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccnc1)NCC(=O)NC(N)=O ZINC001403128641 889287388 /nfs/dbraw/zinc/28/73/88/889287388.db2.gz DVANECWCESMMRH-QMMMGPOBSA-N 0 3 282.304 -1.828 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)NCC(N)=O ZINC001403095566 889288245 /nfs/dbraw/zinc/28/82/45/889288245.db2.gz XMKLUKCDMZMIPV-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1=O)N(C)CCO ZINC001403127552 889288421 /nfs/dbraw/zinc/28/84/21/889288421.db2.gz BVYQSKIATRDJJW-JTQLQIEISA-N 0 3 273.333 -1.726 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)Cn1cncn1 ZINC001403138777 889288513 /nfs/dbraw/zinc/28/85/13/889288513.db2.gz RBCOOVMCFRSFKI-JTQLQIEISA-N 0 3 282.348 -1.103 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001403164396 889289781 /nfs/dbraw/zinc/28/97/81/889289781.db2.gz NCZBLGGVFQUANE-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CO[C@H](C)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001403163546 889290085 /nfs/dbraw/zinc/29/00/85/889290085.db2.gz MUFSGIUKUQHOTM-SFYZADRCSA-N 0 3 272.305 -1.593 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001403171844 889291187 /nfs/dbraw/zinc/29/11/87/889291187.db2.gz CMUZPAZGDDDVHP-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001403171853 889292353 /nfs/dbraw/zinc/29/23/53/889292353.db2.gz CMUZPAZGDDDVHP-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001403211704 889293256 /nfs/dbraw/zinc/29/32/56/889293256.db2.gz CYVZYTKBGBQWCP-VHSXEESVSA-N 0 3 297.359 -1.486 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001403211463 889294303 /nfs/dbraw/zinc/29/43/03/889294303.db2.gz BVIMQGCOYKFDSR-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN C[C@@H](NC(=O)CCn1cnnn1)C1CN(C[C@H](C)O)C1 ZINC001403334658 889297692 /nfs/dbraw/zinc/29/76/92/889297692.db2.gz SUDAHXUSRQIUKD-VHSXEESVSA-N 0 3 282.348 -1.120 20 0 CAADHN CCN1CC([C@@H](C)NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001403347120 889298110 /nfs/dbraw/zinc/29/81/10/889298110.db2.gz UVSQUTGVXHSYKH-SECBINFHSA-N 0 3 292.405 -1.161 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001403441339 889301315 /nfs/dbraw/zinc/30/13/15/889301315.db2.gz ZEFIGPQADRIYJP-ZJUUUORDSA-N 0 3 299.327 -1.435 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001403410790 889301543 /nfs/dbraw/zinc/30/15/43/889301543.db2.gz FWZIQCYITODUJE-GXSJLCMTSA-N 0 3 295.343 -1.276 20 0 CAADHN COCC(=O)N1CCO[C@H]([C@@H](C)NCC(=O)N(C)C)C1 ZINC001403401581 889301697 /nfs/dbraw/zinc/30/16/97/889301697.db2.gz AILUFQHMKFGVMK-MNOVXSKESA-N 0 3 287.360 -1.074 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001403419700 889302175 /nfs/dbraw/zinc/30/21/75/889302175.db2.gz LUBACVORVOGHLG-IUCAKERBSA-N 0 3 296.331 -1.630 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001403419700 889302183 /nfs/dbraw/zinc/30/21/83/889302183.db2.gz LUBACVORVOGHLG-IUCAKERBSA-N 0 3 296.331 -1.630 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001403441336 889302386 /nfs/dbraw/zinc/30/23/86/889302386.db2.gz ZEFIGPQADRIYJP-NXEZZACHSA-N 0 3 299.327 -1.435 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ccncn2)CCO1 ZINC001403416325 889302978 /nfs/dbraw/zinc/30/29/78/889302978.db2.gz JZJLACOYJUVUNR-ONGXEEELSA-N 0 3 293.327 -1.219 20 0 CAADHN COCC(=O)N1CCO[C@@H]([C@H](C)NCC(=O)N(C)C)C1 ZINC001403401594 889303247 /nfs/dbraw/zinc/30/32/47/889303247.db2.gz AILUFQHMKFGVMK-WDEREUQCSA-N 0 3 287.360 -1.074 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001403437652 889303462 /nfs/dbraw/zinc/30/34/62/889303462.db2.gz XVAFJOHLNBYBNL-YUMQZZPRSA-N 0 3 297.319 -2.486 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1 ZINC001403437495 889303501 /nfs/dbraw/zinc/30/35/01/889303501.db2.gz XQUPXQZLIKKWTE-ONGXEEELSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001403434644 889304018 /nfs/dbraw/zinc/30/40/18/889304018.db2.gz UTKBYUGRZQBGHT-ONGXEEELSA-N 0 3 293.327 -1.219 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H](C)NC(C)=O ZINC001403489943 889304893 /nfs/dbraw/zinc/30/48/93/889304893.db2.gz SOOKQVYTFWNDLL-MWLCHTKSSA-N 0 3 275.349 -1.434 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1cncn1)N[C@@H](C)C(N)=O ZINC001403517102 889305248 /nfs/dbraw/zinc/30/52/48/889305248.db2.gz AKPVXFDNEMMWNY-UWVGGRQHSA-N 0 3 282.348 -1.022 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1ccc(=O)[nH]n1 ZINC001403487028 889305344 /nfs/dbraw/zinc/30/53/44/889305344.db2.gz OWMVWDPDQQWUTM-VIFPVBQESA-N 0 3 284.316 -1.149 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCCN1C)CC(=O)NC(N)=O ZINC001403509452 889305617 /nfs/dbraw/zinc/30/56/17/889305617.db2.gz UJVFEDPRVRQGHK-VIFPVBQESA-N 0 3 285.348 -1.677 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1cncn1)N[C@H](C)C(N)=O ZINC001403517082 889306672 /nfs/dbraw/zinc/30/66/72/889306672.db2.gz AKPVXFDNEMMWNY-NXEZZACHSA-N 0 3 282.348 -1.022 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)Cn1cccn1 ZINC001403498550 889307530 /nfs/dbraw/zinc/30/75/30/889307530.db2.gz MEAYLSROQOTVOH-LLVKDONJSA-N 0 3 270.333 -1.062 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCCC1=O)N[C@H]1CCNC1=O ZINC001403522972 889308272 /nfs/dbraw/zinc/30/82/72/889308272.db2.gz KCXMQNHPSGJACN-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1cnn(C)c1N ZINC001403529699 889308587 /nfs/dbraw/zinc/30/85/87/889308587.db2.gz DCQIPADMXHZUQJ-SECBINFHSA-N 0 3 285.348 -1.329 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCCC1=O)N[C@@H]1CCNC1=O ZINC001403522965 889308686 /nfs/dbraw/zinc/30/86/86/889308686.db2.gz KCXMQNHPSGJACN-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001403458906 889308880 /nfs/dbraw/zinc/30/88/80/889308880.db2.gz OEOOWSNPJXCNCE-JTQLQIEISA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CCn1cncn1 ZINC001403530160 889309191 /nfs/dbraw/zinc/30/91/91/889309191.db2.gz VAZQOCXGPYPOLP-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCCC1=O)N[C@@H]1CCNC1=O ZINC001403522975 889309292 /nfs/dbraw/zinc/30/92/92/889309292.db2.gz KCXMQNHPSGJACN-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)NCC(N)=O ZINC001403542006 889311023 /nfs/dbraw/zinc/31/10/23/889311023.db2.gz LWLYQQNVLBRUDP-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O ZINC001403538167 889311450 /nfs/dbraw/zinc/31/14/50/889311450.db2.gz HGSDTJUTCIWYJO-SFYZADRCSA-N 0 3 274.321 -1.347 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)NCC(N)=O ZINC001403533042 889311481 /nfs/dbraw/zinc/31/14/81/889311481.db2.gz COBBEDGQNYVEKL-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnnn1C)N[C@H]1CCNC1=O ZINC001403545749 889311647 /nfs/dbraw/zinc/31/16/47/889311647.db2.gz FGCWPCORJFVKRT-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001403544952 889311871 /nfs/dbraw/zinc/31/18/71/889311871.db2.gz QVRBSTZZBJURCT-GHMZBOCLSA-N 0 3 288.344 -1.005 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)NCC(N)=O ZINC001403560793 889312047 /nfs/dbraw/zinc/31/20/47/889312047.db2.gz YNCJUZDJDFZWIQ-JGVFFNPUSA-N 0 3 273.337 -1.645 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H](C)n1cncn1 ZINC001403542161 889312343 /nfs/dbraw/zinc/31/23/43/889312343.db2.gz UKGXCCZWEYXYEE-MNOVXSKESA-N 0 3 285.348 -1.106 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnnn1C)N[C@H]1CCNC1=O ZINC001403545737 889312530 /nfs/dbraw/zinc/31/25/30/889312530.db2.gz FGCWPCORJFVKRT-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H]1CCNC1=O ZINC001403552469 889312613 /nfs/dbraw/zinc/31/26/13/889312613.db2.gz XPPWZAMRFXFNPV-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN CC[C@H](N[C@H](C)CN(C)C(=O)CNC(=O)NC)C(N)=O ZINC001403564393 889312823 /nfs/dbraw/zinc/31/28/23/889312823.db2.gz JUPRPWQYZOMBCU-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001403532283 889313382 /nfs/dbraw/zinc/31/33/82/889313382.db2.gz DKLIXWATDXXALV-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001403558437 889313459 /nfs/dbraw/zinc/31/34/59/889313459.db2.gz GNRYAGHHRDZRMZ-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001403540983 889313713 /nfs/dbraw/zinc/31/37/13/889313713.db2.gz QIPCKSAXVNJOGY-RKDXNWHRSA-N 0 3 275.305 -1.850 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O ZINC001403538175 889313762 /nfs/dbraw/zinc/31/37/62/889313762.db2.gz HGSDTJUTCIWYJO-YUMQZZPRSA-N 0 3 274.321 -1.347 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O ZINC001403538147 889313815 /nfs/dbraw/zinc/31/38/15/889313815.db2.gz HGSDTJUTCIWYJO-HTQZYQBOSA-N 0 3 274.321 -1.347 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ncn(C)n1)N[C@@H]1CCNC1=O ZINC001403550154 889314207 /nfs/dbraw/zinc/31/42/07/889314207.db2.gz CPNXHVXFJZDINA-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CN(C)C(=O)c1ncn(C)n1)N[C@@H]1CCNC1=O ZINC001403550169 889314465 /nfs/dbraw/zinc/31/44/65/889314465.db2.gz CPNXHVXFJZDINA-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H](C)n1cncn1 ZINC001403542174 889315158 /nfs/dbraw/zinc/31/51/58/889315158.db2.gz UKGXCCZWEYXYEE-WDEREUQCSA-N 0 3 285.348 -1.106 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccncn1)NCC(=O)NC(N)=O ZINC001403611492 889315834 /nfs/dbraw/zinc/31/58/34/889315834.db2.gz PKIOPVDZUDXBRM-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001403584813 889316274 /nfs/dbraw/zinc/31/62/74/889316274.db2.gz OEWNWFJDMUOZBF-SFYZADRCSA-N 0 3 271.321 -2.068 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)NCC(N)=O ZINC001403595011 889316651 /nfs/dbraw/zinc/31/66/51/889316651.db2.gz OYFMNXUTSDZEAQ-BBBLOLIVSA-N 0 3 284.360 -1.190 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001403594394 889316853 /nfs/dbraw/zinc/31/68/53/889316853.db2.gz ZIQFIFPCULYBJW-UWVGGRQHSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CCNC(N)=O ZINC001403604868 889317068 /nfs/dbraw/zinc/31/70/68/889317068.db2.gz CCBGZIDCAZLUGZ-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CN(CCCO)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001403586671 889317345 /nfs/dbraw/zinc/31/73/45/889317345.db2.gz IRYLPGNLCDXXSD-UHFFFAOYSA-N 0 3 286.376 -1.809 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nnn(C)n1)N[C@H]1CCN(C)C1=O ZINC001403573427 889317838 /nfs/dbraw/zinc/31/78/38/889317838.db2.gz FIOHODAILZLFIM-IUCAKERBSA-N 0 3 295.347 -1.509 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001403594396 889318266 /nfs/dbraw/zinc/31/82/66/889318266.db2.gz ZIQFIFPCULYBJW-ZJUUUORDSA-N 0 3 284.360 -1.210 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001403575599 889318063 /nfs/dbraw/zinc/31/80/63/889318063.db2.gz FOPOUOVZKAZYSJ-ZETCQYMHSA-N 0 3 295.365 -3.038 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1cnnn1)N[C@@H]1CCNC1=O ZINC001403603818 889318694 /nfs/dbraw/zinc/31/86/94/889318694.db2.gz CBVMUSKGHBERCH-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccn2nnnc2c1)NCC(N)=O ZINC001403592446 889319125 /nfs/dbraw/zinc/31/91/25/889319125.db2.gz VJVGIXFITSFLRS-MRVPVSSYSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001403584800 889319151 /nfs/dbraw/zinc/31/91/51/889319151.db2.gz OEWNWFJDMUOZBF-JGVFFNPUSA-N 0 3 271.321 -2.068 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001403603311 889319896 /nfs/dbraw/zinc/31/98/96/889319896.db2.gz ZIQFIFPCULYBJW-VHSXEESVSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCC(=O)NC1=O)NCC(N)=O ZINC001403637348 889320708 /nfs/dbraw/zinc/32/07/08/889320708.db2.gz WTWDZJNZRMRLPL-QMMMGPOBSA-N 0 3 299.331 -2.150 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)NCC(N)=O ZINC001403629144 889321080 /nfs/dbraw/zinc/32/10/80/889321080.db2.gz KHWTZMUMIUQMKR-ZETCQYMHSA-N 0 3 297.315 -1.979 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O ZINC001403621826 889321103 /nfs/dbraw/zinc/32/11/03/889321103.db2.gz FQLBGLAERKOMSZ-JGVFFNPUSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001403626325 889322044 /nfs/dbraw/zinc/32/20/44/889322044.db2.gz NBPDREIIBCDAAU-ONGXEEELSA-N 0 3 295.343 -1.206 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)c1ccco1 ZINC001403633054 889322078 /nfs/dbraw/zinc/32/20/78/889322078.db2.gz BVGKYLQUIARZIZ-SNVBAGLBSA-N 0 3 296.327 -1.015 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)c1ccon1 ZINC001403637307 889322371 /nfs/dbraw/zinc/32/23/71/889322371.db2.gz DAWKSWORDCBPTO-VIFPVBQESA-N 0 3 297.315 -1.620 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)c1ccco1 ZINC001403633036 889322547 /nfs/dbraw/zinc/32/25/47/889322547.db2.gz BVGKYLQUIARZIZ-JTQLQIEISA-N 0 3 296.327 -1.015 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001403637730 889323478 /nfs/dbraw/zinc/32/34/78/889323478.db2.gz HTWFETTZFXDGBK-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCCC1=O)C(F)F ZINC001403628881 889324028 /nfs/dbraw/zinc/32/40/28/889324028.db2.gz XHUBTTZNFLBIBA-QMMMGPOBSA-N 0 3 279.287 -1.059 20 0 CAADHN C[C@@H](O)CN[C@H](CO)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001403728209 889360480 /nfs/dbraw/zinc/36/04/80/889360480.db2.gz HVANXGXDSRCZHL-BDAKNGLRSA-N 0 3 296.389 -1.743 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](CO)NCCn2cncn2)[nH]1 ZINC001403655094 889335710 /nfs/dbraw/zinc/33/57/10/889335710.db2.gz RYECBPLAUHJYCY-SNVBAGLBSA-N 0 3 293.331 -1.310 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1cnsn1 ZINC001403661669 889336096 /nfs/dbraw/zinc/33/60/96/889336096.db2.gz ZHBDAEPPXRTMTG-MRVPVSSYSA-N 0 3 297.344 -1.490 20 0 CAADHN O=C(NC[C@H](CO)[NH2+]C[C@@H]1CCOC1)c1cnc[n-]c1=O ZINC001403670591 889338308 /nfs/dbraw/zinc/33/83/08/889338308.db2.gz QYSUHTVTHIPVDF-VHSXEESVSA-N 0 3 296.327 -1.101 20 0 CAADHN O=C(NC[C@H](CO)[NH2+]C[C@H]1CCOC1)c1cnc[n-]c1=O ZINC001403670556 889339577 /nfs/dbraw/zinc/33/95/77/889339577.db2.gz QYSUHTVTHIPVDF-NXEZZACHSA-N 0 3 296.327 -1.101 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1ncc[nH]1 ZINC001403668754 889341834 /nfs/dbraw/zinc/34/18/34/889341834.db2.gz XWBWZOBFJACBQR-SECBINFHSA-N 0 3 279.304 -1.618 20 0 CAADHN COC[C@@H](C)N[C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001403673495 889342811 /nfs/dbraw/zinc/34/28/11/889342811.db2.gz QFROMUYIZGWWKI-PSASIEDQSA-N 0 3 294.373 -1.867 20 0 CAADHN C[C@H](O)CN[C@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001403679644 889344270 /nfs/dbraw/zinc/34/42/70/889344270.db2.gz XVIOTPOVBRKQRP-WPRPVWTQSA-N 0 3 294.373 -2.131 20 0 CAADHN COC[C@H](C)N[C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001403673503 889344789 /nfs/dbraw/zinc/34/47/89/889344789.db2.gz QFROMUYIZGWWKI-WCBMZHEXSA-N 0 3 294.373 -1.867 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NCc1cnn(C)n1)N(C)C ZINC001403683328 889345261 /nfs/dbraw/zinc/34/52/61/889345261.db2.gz PAMAOMFXDWEHNT-NWDGAFQWSA-N 0 3 298.391 -1.278 20 0 CAADHN C[C@H](O)CN[C@@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001403679636 889345831 /nfs/dbraw/zinc/34/58/31/889345831.db2.gz XVIOTPOVBRKQRP-WCBMZHEXSA-N 0 3 294.373 -2.131 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@@H]1CNC(=O)N1 ZINC001403693139 889349307 /nfs/dbraw/zinc/34/93/07/889349307.db2.gz DRXKCUZJXHXOTI-IUCAKERBSA-N 0 3 297.319 -2.974 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NCc1cn(C)nn1)N(C)C ZINC001403697370 889349641 /nfs/dbraw/zinc/34/96/41/889349641.db2.gz HUHMVDQJAXUDKD-NEPJUHHUSA-N 0 3 298.391 -1.278 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](CO)N[C@H]1CCNC1=O ZINC001403685805 889349756 /nfs/dbraw/zinc/34/97/56/889349756.db2.gz MSFFLNNVIGZJKR-QWRGUYRKSA-N 0 3 295.343 -1.853 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1ccnnc1 ZINC001403705057 889351133 /nfs/dbraw/zinc/35/11/33/889351133.db2.gz FAQGTZGUFLEIJT-NSHDSACASA-N 0 3 291.315 -1.551 20 0 CAADHN CCn1nncc1CN[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001403708738 889351496 /nfs/dbraw/zinc/35/14/96/889351496.db2.gz QUKRRVHATQWLAA-QMMMGPOBSA-N 0 3 294.319 -1.703 20 0 CAADHN CCn1nncc1CN[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001403708738 889351507 /nfs/dbraw/zinc/35/15/07/889351507.db2.gz QUKRRVHATQWLAA-QMMMGPOBSA-N 0 3 294.319 -1.703 20 0 CAADHN CCn1nncc1CN[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001403708715 889352331 /nfs/dbraw/zinc/35/23/31/889352331.db2.gz QUKRRVHATQWLAA-MRVPVSSYSA-N 0 3 294.319 -1.703 20 0 CAADHN CCn1nncc1CN[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001403708715 889352340 /nfs/dbraw/zinc/35/23/40/889352340.db2.gz QUKRRVHATQWLAA-MRVPVSSYSA-N 0 3 294.319 -1.703 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NCCN(C)CCO ZINC001403717764 889356894 /nfs/dbraw/zinc/35/68/94/889356894.db2.gz MDMNSSHAZNSVFZ-UHFFFAOYSA-N 0 3 281.378 -1.692 20 0 CAADHN CC[C@@H](F)C(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001403710199 889358267 /nfs/dbraw/zinc/35/82/67/889358267.db2.gz YCLORFPRUWKMST-NXEZZACHSA-N 0 3 290.339 -1.174 20 0 CAADHN CC(C)(C(=O)NC[C@@H](CO)NCCO)S(C)(=O)=O ZINC001403723247 889358997 /nfs/dbraw/zinc/35/89/97/889358997.db2.gz DCVQBPBZXAWMOH-QMMMGPOBSA-N 0 3 282.362 -2.131 20 0 CAADHN O=C(Cn1cncn1)NC[C@H](CO)NCCn1cncn1 ZINC001403726042 889360158 /nfs/dbraw/zinc/36/01/58/889360158.db2.gz NGDJQVNFTSMTGZ-SNVBAGLBSA-N 0 3 294.319 -2.364 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001403733900 889360515 /nfs/dbraw/zinc/36/05/15/889360515.db2.gz GCJQXHBWBANBPP-IUCAKERBSA-N 0 3 293.327 -1.292 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001403733890 889360756 /nfs/dbraw/zinc/36/07/56/889360756.db2.gz GCJQXHBWBANBPP-DTWKUNHWSA-N 0 3 293.327 -1.292 20 0 CAADHN CCNC(=O)CCC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001403743959 889361027 /nfs/dbraw/zinc/36/10/27/889361027.db2.gz GVDKRVYIKYSXIQ-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NCc1cnon1 ZINC001403741329 889362282 /nfs/dbraw/zinc/36/22/82/889362282.db2.gz FJMRUKSUNKIJJJ-NSHDSACASA-N 0 3 285.348 -1.024 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001403739219 889362356 /nfs/dbraw/zinc/36/23/56/889362356.db2.gz JTAPKIJMFUNTGR-SCZZXKLOSA-N 0 3 270.333 -1.471 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@@H]1C ZINC001403745045 889363831 /nfs/dbraw/zinc/36/38/31/889363831.db2.gz LNFKJDTWXILJJW-SKDRFNHKSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCCC(N)=O ZINC001403760248 889364336 /nfs/dbraw/zinc/36/43/36/889364336.db2.gz VBBODJRMVHJRMX-RKDXNWHRSA-N 0 3 270.333 -1.294 20 0 CAADHN C[C@H](C(=O)NC(N)=O)N(C)CCNC(=O)CN1CCCC1 ZINC001403767582 889365071 /nfs/dbraw/zinc/36/50/71/889365071.db2.gz RLGWRJWBGMSKKO-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)Cn2cnnn2)C1 ZINC001403748865 889365248 /nfs/dbraw/zinc/36/52/48/889365248.db2.gz PRHRWPFRZVMVOP-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCn2cncn2)C1 ZINC001403757480 889365940 /nfs/dbraw/zinc/36/59/40/889365940.db2.gz WOTKEWYTXJQNDX-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCn2cncn2)C1 ZINC001403757521 889365992 /nfs/dbraw/zinc/36/59/92/889365992.db2.gz WOTKEWYTXJQNDX-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001403750576 889366795 /nfs/dbraw/zinc/36/67/95/889366795.db2.gz NIWOBRXJYLPVMS-JGVFFNPUSA-N 0 3 292.361 -2.400 20 0 CAADHN COC[C@H](C)N(C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001403790302 889366910 /nfs/dbraw/zinc/36/69/10/889366910.db2.gz OUCZQARSYFTXRP-VIFPVBQESA-N 0 3 298.347 -1.540 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)nn2)[C@@H]1C ZINC001403759754 889367024 /nfs/dbraw/zinc/36/70/24/889367024.db2.gz ZTJPEHFYJHAUET-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NCc1nncn1C ZINC001403747373 889367578 /nfs/dbraw/zinc/36/75/78/889367578.db2.gz JKJGLKZVCQNZAW-NSHDSACASA-N 0 3 298.391 -1.278 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C1CCOCC1 ZINC001403832630 889368566 /nfs/dbraw/zinc/36/85/66/889368566.db2.gz RPKYJAXOKWCFEP-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN Cc1cnn(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)c1 ZINC001403815995 889368665 /nfs/dbraw/zinc/36/86/65/889368665.db2.gz AZNHQRZMYONXFF-JTQLQIEISA-N 0 3 283.332 -1.914 20 0 CAADHN CO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)N1CCC1 ZINC001403833873 889369500 /nfs/dbraw/zinc/36/95/00/889369500.db2.gz QZENPNIJBSZQNP-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cscn1 ZINC001403822665 889369561 /nfs/dbraw/zinc/36/95/61/889369561.db2.gz DSWRPAYMLKSMCX-ZETCQYMHSA-N 0 3 272.330 -1.349 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](O)CN[C@H]2CCNC2=O)co1 ZINC001403819457 889369769 /nfs/dbraw/zinc/36/97/69/889369769.db2.gz GKSHMSBNFJQTAY-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001403827512 889369980 /nfs/dbraw/zinc/36/99/80/889369980.db2.gz LGKAMPLQZJCZRY-ZETCQYMHSA-N 0 3 276.293 -2.763 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001403826653 889370001 /nfs/dbraw/zinc/37/00/01/889370001.db2.gz BXQQISQFNPGMFV-DTWKUNHWSA-N 0 3 288.348 -2.205 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1nnn(C)c1C ZINC001403815682 889370089 /nfs/dbraw/zinc/37/00/89/889370089.db2.gz BEPAJJSOTWPJHV-VIFPVBQESA-N 0 3 298.347 -2.108 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)CCn1ccnn1)C(N)=O ZINC001403813474 889370112 /nfs/dbraw/zinc/37/01/12/889370112.db2.gz AVEIIFNVQPBGIC-ZJUUUORDSA-N 0 3 298.347 -2.049 20 0 CAADHN CO[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)N1CCC1 ZINC001403833871 889370181 /nfs/dbraw/zinc/37/01/81/889370181.db2.gz QZENPNIJBSZQNP-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CC(C)OCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001403831947 889370245 /nfs/dbraw/zinc/37/02/45/889370245.db2.gz NUMNADXFKXLNCO-ZJUUUORDSA-N 0 3 275.349 -1.306 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C)[nH]n1 ZINC001403823157 889370855 /nfs/dbraw/zinc/37/08/55/889370855.db2.gz HQHBMGCWYVPEHR-SNVBAGLBSA-N 0 3 297.359 -1.171 20 0 CAADHN COCCC(=O)N(C)C[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001403832587 889370932 /nfs/dbraw/zinc/37/09/32/889370932.db2.gz RONPXKJRGKGGBE-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CC[C@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001403812019 889371077 /nfs/dbraw/zinc/37/10/77/889371077.db2.gz IICLKTCNEGENRQ-DTWKUNHWSA-N 0 3 288.348 -1.364 20 0 CAADHN CCCC(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001403827702 889371400 /nfs/dbraw/zinc/37/14/00/889371400.db2.gz HZYDTMFYRQTECW-MRVPVSSYSA-N 0 3 274.321 -1.610 20 0 CAADHN CCN(CCNC(=O)[C@@H]1CCCN1C)CC(=O)NC(N)=O ZINC001403816639 889371204 /nfs/dbraw/zinc/37/12/04/889371204.db2.gz IOUIUIOPBKIPJV-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCOCC1)C(=O)C1CC1 ZINC001403830928 889371227 /nfs/dbraw/zinc/37/12/27/889371227.db2.gz PEEVTDVKVQUBDF-LBPRGKRZSA-N 0 3 299.371 -1.336 20 0 CAADHN COCCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001403832600 889371311 /nfs/dbraw/zinc/37/13/11/889371311.db2.gz RONPXKJRGKGGBE-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN CO[C@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)N1CCC1 ZINC001403833870 889372033 /nfs/dbraw/zinc/37/20/33/889372033.db2.gz QZENPNIJBSZQNP-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNCC(=O)N1CCCC1 ZINC001403821192 889372350 /nfs/dbraw/zinc/37/23/50/889372350.db2.gz ANUUKQBVXDGCFJ-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)CCn1ccnn1)C(N)=O ZINC001403813472 889372647 /nfs/dbraw/zinc/37/26/47/889372647.db2.gz AVEIIFNVQPBGIC-VHSXEESVSA-N 0 3 298.347 -2.049 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@H]1CCCO1 ZINC001403830338 889372674 /nfs/dbraw/zinc/37/26/74/889372674.db2.gz MOJZJNDMXXQZEF-NXEZZACHSA-N 0 3 273.333 -1.550 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001403847199 889373476 /nfs/dbraw/zinc/37/34/76/889373476.db2.gz RPMDDGUZNFDXBR-YUMQZZPRSA-N 0 3 288.304 -2.750 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)[C@H]1CCCO1 ZINC001403839361 889373573 /nfs/dbraw/zinc/37/35/73/889373573.db2.gz YWDVJUGRJNGAOU-NWDGAFQWSA-N 0 3 299.371 -1.147 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@]12C[C@H]1COC2 ZINC001403836855 889373599 /nfs/dbraw/zinc/37/35/99/889373599.db2.gz NUZBACMYOVTOLZ-AUTRQRHGSA-N 0 3 271.317 -2.083 20 0 CAADHN CCn1ncc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001403845048 889373876 /nfs/dbraw/zinc/37/38/76/889373876.db2.gz QTRDZIAPDPGUAT-QMMMGPOBSA-N 0 3 284.320 -2.194 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnns1)C(N)=O ZINC001403838723 889373948 /nfs/dbraw/zinc/37/39/48/889373948.db2.gz XMFAZAOOSPNJIQ-RNFRBKRXSA-N 0 3 287.345 -1.566 20 0 CAADHN CCn1ncc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001403837498 889374083 /nfs/dbraw/zinc/37/40/83/889374083.db2.gz HWKYPCPBIMOWLD-DTWKUNHWSA-N 0 3 298.347 -1.806 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1ccncc1)C(N)=O ZINC001403837555 889374998 /nfs/dbraw/zinc/37/49/98/889374998.db2.gz YPQAIFBDOXMULJ-ONGXEEELSA-N 0 3 280.328 -1.022 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1cocn1 ZINC001403841280 889375105 /nfs/dbraw/zinc/37/51/05/889375105.db2.gz ZKAHQLYWLJUKRR-VHSXEESVSA-N 0 3 296.327 -1.072 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1cocn1 ZINC001403841286 889375164 /nfs/dbraw/zinc/37/51/64/889375164.db2.gz ZKAHQLYWLJUKRR-ZJUUUORDSA-N 0 3 296.327 -1.072 20 0 CAADHN Cc1cncn1CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001403847263 889375300 /nfs/dbraw/zinc/37/53/00/889375300.db2.gz JBZKGKHUPCUKAT-SNVBAGLBSA-N 0 3 283.332 -1.914 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001403847715 889376106 /nfs/dbraw/zinc/37/61/06/889376106.db2.gz UGOXDJLTASZXIA-RKDXNWHRSA-N 0 3 283.332 -1.386 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001403847198 889376136 /nfs/dbraw/zinc/37/61/36/889376136.db2.gz RPMDDGUZNFDXBR-SFYZADRCSA-N 0 3 288.304 -2.750 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cn(C)cn1 ZINC001403839724 889376483 /nfs/dbraw/zinc/37/64/83/889376483.db2.gz LMRCNMWYBJDAEB-NXEZZACHSA-N 0 3 295.343 -1.669 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1ccnn1C)C(N)=O ZINC001403841449 889376666 /nfs/dbraw/zinc/37/66/66/889376666.db2.gz ZRLRFSRJRURGGA-ZJUUUORDSA-N 0 3 297.359 -1.294 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1cncn1C ZINC001403873895 889377760 /nfs/dbraw/zinc/37/77/60/889377760.db2.gz QDSWZTQIECJNER-NSHDSACASA-N 0 3 297.359 -1.753 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001403871416 889378745 /nfs/dbraw/zinc/37/87/45/889378745.db2.gz NGAPJJVVLKGXNT-VIFPVBQESA-N 0 3 299.331 -1.382 20 0 CAADHN CN(C[C@@H](O)CNCc1cncn1C)C(=O)c1cn[nH]n1 ZINC001403854661 889379881 /nfs/dbraw/zinc/37/98/81/889379881.db2.gz OJTQRHURSWYLDJ-JTQLQIEISA-N 0 3 293.331 -1.239 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001403866941 889380286 /nfs/dbraw/zinc/38/02/86/889380286.db2.gz HKWQXSCQUHUJKL-VIFPVBQESA-N 0 3 298.347 -2.074 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001403871413 889380305 /nfs/dbraw/zinc/38/03/05/889380305.db2.gz NGAPJJVVLKGXNT-SECBINFHSA-N 0 3 299.331 -1.382 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001403862637 889380670 /nfs/dbraw/zinc/38/06/70/889380670.db2.gz AUDRMPFYGFOQIT-ZJUUUORDSA-N 0 3 295.343 -1.750 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1n[nH]cc1F ZINC001403864750 889381036 /nfs/dbraw/zinc/38/10/36/889381036.db2.gz DRUAOFIZZGEPJY-LURJTMIESA-N 0 3 273.268 -1.943 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cnco1)C(N)=O ZINC001403861501 889381521 /nfs/dbraw/zinc/38/15/21/889381521.db2.gz QSQSDFAPCYCVAV-DTWKUNHWSA-N 0 3 284.316 -1.039 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001403872258 889381659 /nfs/dbraw/zinc/38/16/59/889381659.db2.gz XOYVSMZUQOYDMU-RNJXMRFFSA-N 0 3 272.305 -2.998 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001403882816 889382869 /nfs/dbraw/zinc/38/28/69/889382869.db2.gz DCVORUZOLYNMPM-MRVPVSSYSA-N 0 3 274.346 -1.105 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cnn2cc[nH]c12 ZINC001403878970 889383865 /nfs/dbraw/zinc/38/38/65/889383865.db2.gz WWXMCGIVNOWNNJ-QMMMGPOBSA-N 0 3 294.315 -1.830 20 0 CAADHN Cc1cnoc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001403883290 889384405 /nfs/dbraw/zinc/38/44/05/889384405.db2.gz UPKGRIWMUHJUKM-MRVPVSSYSA-N 0 3 270.289 -1.509 20 0 CAADHN CCN(CCNC(=O)c1c[nH]c(=O)cn1)C[C@H](O)COC ZINC001403888107 889384472 /nfs/dbraw/zinc/38/44/72/889384472.db2.gz OFNFWXZDCDYJJI-JTQLQIEISA-N 0 3 298.343 -1.171 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001403891516 889384539 /nfs/dbraw/zinc/38/45/39/889384539.db2.gz DJCBECZSOBJHBB-SNVBAGLBSA-N 0 3 286.336 -1.929 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cc1cnc[nH]1)C(N)=O ZINC001403885295 889384636 /nfs/dbraw/zinc/38/46/36/889384636.db2.gz XYKUTEYZHPCCIS-SCZZXKLOSA-N 0 3 283.332 -1.765 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001403876551 889384658 /nfs/dbraw/zinc/38/46/58/889384658.db2.gz ZDHGCFXGUYIDID-JGVFFNPUSA-N 0 3 299.331 -1.978 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001403892146 889384933 /nfs/dbraw/zinc/38/49/33/889384933.db2.gz ILFGYJBFGMZTAL-MNOVXSKESA-N 0 3 287.360 -1.744 20 0 CAADHN CCN(C)C(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001403880819 889385239 /nfs/dbraw/zinc/38/52/39/889385239.db2.gz XGWANEOJDJSPJB-VIFPVBQESA-N 0 3 298.347 -1.695 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001403880819 889385249 /nfs/dbraw/zinc/38/52/49/889385249.db2.gz XGWANEOJDJSPJB-VIFPVBQESA-N 0 3 298.347 -1.695 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001403886687 889385927 /nfs/dbraw/zinc/38/59/27/889385927.db2.gz VYFSAZPVNRNEIA-JTQLQIEISA-N 0 3 297.359 -1.469 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001403887809 889386706 /nfs/dbraw/zinc/38/67/06/889386706.db2.gz YJMRNSYSGPOJFE-VIFPVBQESA-N 0 3 272.309 -2.584 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001403890712 889387020 /nfs/dbraw/zinc/38/70/20/889387020.db2.gz XGUQHMMQNHQLKT-SSDOTTSWSA-N 0 3 271.277 -2.114 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001403891507 889387210 /nfs/dbraw/zinc/38/72/10/889387210.db2.gz DJCBECZSOBJHBB-JTQLQIEISA-N 0 3 286.336 -1.929 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001403902362 889387243 /nfs/dbraw/zinc/38/72/43/889387243.db2.gz UIKCNSDSHFYXJI-QWRGUYRKSA-N 0 3 287.360 -1.792 20 0 CAADHN COc1cc(C(=O)N(C)C[C@H](O)CN(C)CCO)ncn1 ZINC001403908113 889388155 /nfs/dbraw/zinc/38/81/55/889388155.db2.gz YGLQDTKGOIDEHR-SNVBAGLBSA-N 0 3 298.343 -1.158 20 0 CAADHN C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001403909560 889390501 /nfs/dbraw/zinc/39/05/01/889390501.db2.gz XQNWBPRHSMGZDL-IUCAKERBSA-N 0 3 271.321 -1.450 20 0 CAADHN C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001403909560 889390509 /nfs/dbraw/zinc/39/05/09/889390509.db2.gz XQNWBPRHSMGZDL-IUCAKERBSA-N 0 3 271.321 -1.450 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001403992016 889395508 /nfs/dbraw/zinc/39/55/08/889395508.db2.gz WFOJQPGMEJCVTK-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001404024911 889395961 /nfs/dbraw/zinc/39/59/61/889395961.db2.gz OUHVFQKGGCSPHE-SRVKXCTJSA-N 0 3 299.371 -1.147 20 0 CAADHN COC[C@H](O)CN1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001403990934 889396195 /nfs/dbraw/zinc/39/61/95/889396195.db2.gz OUHVFQKGGCSPHE-QJPTWQEYSA-N 0 3 299.371 -1.147 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1COCCO1 ZINC001404298350 889399967 /nfs/dbraw/zinc/39/99/67/889399967.db2.gz MLZZATBEIATWSX-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN O=C(NCCN(CCO)C1CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001404293957 889400105 /nfs/dbraw/zinc/40/01/05/889400105.db2.gz HAVIFHHENJLQOE-JTQLQIEISA-N 0 3 291.373 -1.749 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1COCCO1 ZINC001404298353 889400441 /nfs/dbraw/zinc/40/04/41/889400441.db2.gz MLZZATBEIATWSX-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001404315405 889403022 /nfs/dbraw/zinc/40/30/22/889403022.db2.gz GQYOMXNSDCDKSQ-VIFPVBQESA-N 0 3 293.327 -1.338 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)NC(N)=O ZINC001404429160 889403067 /nfs/dbraw/zinc/40/30/67/889403067.db2.gz BCFHXXKQVUIGOX-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccc2nnnn2c1)C(N)=O ZINC001404319430 889403194 /nfs/dbraw/zinc/40/31/94/889403194.db2.gz NBJFLHPURKBAJH-MRVPVSSYSA-N 0 3 291.315 -1.340 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CCNC1=O ZINC001404322122 889403718 /nfs/dbraw/zinc/40/37/18/889403718.db2.gz PZZMTUQPCUOLEE-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CN1CCNC(=O)C1 ZINC001404331532 889403848 /nfs/dbraw/zinc/40/38/48/889403848.db2.gz VUDJPAUDWRCVRZ-SNVBAGLBSA-N 0 3 297.359 -2.645 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1)C(=O)NC(N)=O ZINC001404307996 889403915 /nfs/dbraw/zinc/40/39/15/889403915.db2.gz BCFHXXKQVUIGOX-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CCNC1=O ZINC001404322130 889403967 /nfs/dbraw/zinc/40/39/67/889403967.db2.gz PZZMTUQPCUOLEE-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CS(=O)(=O)N(C)C)C(N)=O ZINC001404337093 889404345 /nfs/dbraw/zinc/40/43/45/889404345.db2.gz GECYXBJPHAPHTR-MRVPVSSYSA-N 0 3 294.377 -2.200 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2COC(=O)N2)C1=O ZINC001404306456 889404368 /nfs/dbraw/zinc/40/43/68/889404368.db2.gz ALIBQDCBSLSKDU-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@H]1CCNC1=O ZINC001404322142 889404678 /nfs/dbraw/zinc/40/46/78/889404678.db2.gz PZZMTUQPCUOLEE-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001404325536 889404768 /nfs/dbraw/zinc/40/47/68/889404768.db2.gz SOKPQKXDPHLWAN-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN COCCn1cc(C(=O)N(C)CCN[C@@H](C)C(N)=O)nn1 ZINC001404333846 889404782 /nfs/dbraw/zinc/40/47/82/889404782.db2.gz WWWDDVJTEASUPC-VIFPVBQESA-N 0 3 298.347 -1.540 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C1=CCOCC1)C(=O)NC(N)=O ZINC001404324597 889404809 /nfs/dbraw/zinc/40/48/09/889404809.db2.gz OSMQGKOHLLXPME-SECBINFHSA-N 0 3 298.343 -1.036 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2COC(=O)N2)C1=O ZINC001404306488 889404990 /nfs/dbraw/zinc/40/49/90/889404990.db2.gz ALIBQDCBSLSKDU-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)[C@H]2CCC(=O)N2)C1=O ZINC001404309330 889404878 /nfs/dbraw/zinc/40/48/78/889404878.db2.gz CVZCEWTWVJZZNQ-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)Cn1cncn1 ZINC001404337109 889405147 /nfs/dbraw/zinc/40/51/47/889405147.db2.gz GGVQRQJKPSCYJG-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2COC(=O)N2)C1=O ZINC001404306549 889405548 /nfs/dbraw/zinc/40/55/48/889405548.db2.gz ALIBQDCBSLSKDU-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001404582559 889408020 /nfs/dbraw/zinc/40/80/20/889408020.db2.gz CUKZUVPKZHWOGN-NXEZZACHSA-N 0 3 299.375 -1.301 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001404567790 889409433 /nfs/dbraw/zinc/40/94/33/889409433.db2.gz KAMBINAIRFSDBB-GXSJLCMTSA-N 0 3 284.360 -1.223 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001404431976 889409767 /nfs/dbraw/zinc/40/97/67/889409767.db2.gz CVZCEWTWVJZZNQ-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCCN(C[C@H](C)O)C1 ZINC001404668432 889412057 /nfs/dbraw/zinc/41/20/57/889412057.db2.gz ALLAAOGBCOLSJJ-VHSXEESVSA-N 0 3 272.349 -1.123 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001404887313 889420551 /nfs/dbraw/zinc/42/05/51/889420551.db2.gz MHCXTXKBJHHXPW-SECBINFHSA-N 0 3 283.332 -1.989 20 0 CAADHN CO[C@H](C)CN1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001404896790 889420927 /nfs/dbraw/zinc/42/09/27/889420927.db2.gz BUDOTJCTGCSXKF-LLVKDONJSA-N 0 3 298.387 -1.499 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001405049962 889426197 /nfs/dbraw/zinc/42/61/97/889426197.db2.gz CMFXQKUTEDNHGQ-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001405039792 889426267 /nfs/dbraw/zinc/42/62/67/889426267.db2.gz GLUPKJJYEBNEJQ-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN CN(CC(=O)N[C@@H]1CCN(CCCO)C1)S(C)(=O)=O ZINC001405053194 889426337 /nfs/dbraw/zinc/42/63/37/889426337.db2.gz RTVHIZVHENFKDO-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN CCN1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001405093004 889427872 /nfs/dbraw/zinc/42/78/72/889427872.db2.gz OBHWMQUFLQSJLC-ZJUUUORDSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001405147451 889428156 /nfs/dbraw/zinc/42/81/56/889428156.db2.gz YIUFWKQTKQITRL-VHSXEESVSA-N 0 3 293.389 -1.551 20 0 CAADHN CCN(C(=O)Cn1ncnn1)[C@@H]1CCN(CCCO)C1 ZINC001405168332 889429294 /nfs/dbraw/zinc/42/92/94/889429294.db2.gz LVWZMYGFHZUNRE-LLVKDONJSA-N 0 3 282.348 -1.022 20 0 CAADHN CCN(C(=O)Cc1ncn[nH]1)[C@@H]1CCN(CC(N)=O)C1 ZINC001405174738 889429621 /nfs/dbraw/zinc/42/96/21/889429621.db2.gz MWFKRAWALMSFJJ-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCOC1)NCC(=O)NC(N)=O ZINC001405197530 889430859 /nfs/dbraw/zinc/43/08/59/889430859.db2.gz MBKFDVXLKRUMDP-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)C1CC1)N[C@@H]1CCNC1=O ZINC001405203860 889434812 /nfs/dbraw/zinc/43/48/12/889434812.db2.gz NXIQNQJKJATVAG-GHMZBOCLSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)N1CCC1 ZINC001405218845 889436483 /nfs/dbraw/zinc/43/64/83/889436483.db2.gz JMIZREKPLZWFDT-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)N1CCC1 ZINC001405218860 889436770 /nfs/dbraw/zinc/43/67/70/889436770.db2.gz JMIZREKPLZWFDT-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)N1CCC1 ZINC001405218878 889437550 /nfs/dbraw/zinc/43/75/50/889437550.db2.gz JMIZREKPLZWFDT-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H](C)NC(N)=O ZINC001405231383 889440440 /nfs/dbraw/zinc/44/04/40/889440440.db2.gz XHYRLPFFJIGXLC-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@H](CNC(=O)CN1CCCNC1=O)N[C@H](C)C(N)=O ZINC001405266230 889443101 /nfs/dbraw/zinc/44/31/01/889443101.db2.gz MLWCWFARCBUZOU-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)N[C@@H]1CCN(C)C1=O ZINC001405288231 889445179 /nfs/dbraw/zinc/44/51/79/889445179.db2.gz RDBYWGFZEDFVEL-DTWKUNHWSA-N 0 3 295.347 -1.461 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)N[C@H]1CCN(C)C1=O ZINC001405288214 889445362 /nfs/dbraw/zinc/44/53/62/889445362.db2.gz RDBYWGFZEDFVEL-BDAKNGLRSA-N 0 3 295.347 -1.461 20 0 CAADHN CC[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCC(=O)NC ZINC001405287611 889445736 /nfs/dbraw/zinc/44/57/36/889445736.db2.gz NEXZQNWTEWOJQS-RNCFNFMXSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NC ZINC001405285675 889445921 /nfs/dbraw/zinc/44/59/21/889445921.db2.gz HPTQXZUQQBRUTE-HTQZYQBOSA-N 0 3 271.321 -2.102 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)N[C@@H]1CCN(C)C1=O ZINC001405288260 889446986 /nfs/dbraw/zinc/44/69/86/889446986.db2.gz RDBYWGFZEDFVEL-RKDXNWHRSA-N 0 3 295.347 -1.461 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)N[C@H]1CCN(C)C1=O ZINC001405288244 889447294 /nfs/dbraw/zinc/44/72/94/889447294.db2.gz RDBYWGFZEDFVEL-IUCAKERBSA-N 0 3 295.347 -1.461 20 0 CAADHN CC[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCC(=O)NC ZINC001405287617 889447425 /nfs/dbraw/zinc/44/74/25/889447425.db2.gz NEXZQNWTEWOJQS-ZANVPECISA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NC(=O)[C@H](C)OC)N(C)C ZINC001405305812 889448829 /nfs/dbraw/zinc/44/88/29/889448829.db2.gz FQAMVROHCGZDQE-HBNTYKKESA-N 0 3 289.376 -1.045 20 0 CAADHN CC[C@@H](CNC(=O)CS(=O)(=O)CC)N[C@@H](C)C(N)=O ZINC001405375084 889452038 /nfs/dbraw/zinc/45/20/38/889452038.db2.gz RSFSTERMGSWZLH-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@H](CNC(=O)CS(=O)(=O)N(C)C)NCC(N)=O ZINC001405342056 889452547 /nfs/dbraw/zinc/45/25/47/889452547.db2.gz FEPKEBPWIDQSBQ-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN CC[C@@H](CNC(=O)CCN1CCCC1=O)NCC(N)=O ZINC001405352737 889453256 /nfs/dbraw/zinc/45/32/56/889453256.db2.gz SLKMTTGIVAKIGW-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN COC(=O)NCC(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001405455549 889455599 /nfs/dbraw/zinc/45/55/99/889455599.db2.gz RSONZLWNIWTXGN-GFCCVEGCSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001405470605 889456684 /nfs/dbraw/zinc/45/66/84/889456684.db2.gz IBSONBUJTJXFAR-SDBXPKJASA-N 0 3 284.360 -1.142 20 0 CAADHN COC(=O)NCC(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001405455550 889456867 /nfs/dbraw/zinc/45/68/67/889456867.db2.gz RSONZLWNIWTXGN-LBPRGKRZSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H](CNC(=O)c1nnc[nH]1)C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001405700636 889466405 /nfs/dbraw/zinc/46/64/05/889466405.db2.gz HUYGXBYQEZNIBO-ZETCQYMHSA-N 0 3 294.319 -1.618 20 0 CAADHN CC[C@@H](NC[C@H](C)N(C)C(=O)CNC(C)=O)C(N)=O ZINC001405790342 889467406 /nfs/dbraw/zinc/46/74/06/889467406.db2.gz USEQGKXSIRRRDQ-WCBMZHEXSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001405789042 889467644 /nfs/dbraw/zinc/46/76/44/889467644.db2.gz AILXYTIXVDWMMS-QWRGUYRKSA-N 0 3 286.376 -1.501 20 0 CAADHN COCC(C)(C)C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001406241412 889494541 /nfs/dbraw/zinc/49/45/41/889494541.db2.gz HOTRTRLRNQPQOJ-RKDXNWHRSA-N 0 3 275.349 -1.401 20 0 CAADHN CN1C[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)NC1=O ZINC001405758104 889469014 /nfs/dbraw/zinc/46/90/14/889469014.db2.gz FHYCSIMIDHVUNQ-SECBINFHSA-N 0 3 297.359 -1.486 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)CS(C)(=O)=O ZINC001405796875 889470435 /nfs/dbraw/zinc/47/04/35/889470435.db2.gz RAEPFJOXXFSVCO-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)CCNC(N)=O ZINC001405890399 889470791 /nfs/dbraw/zinc/47/07/91/889470791.db2.gz HYURGGGGLNKYRP-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CN1CCCC1=O ZINC001405806630 889470865 /nfs/dbraw/zinc/47/08/65/889470865.db2.gz WQLWZYWCMQEEDC-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)C1=CCOCC1 ZINC001405819641 889470874 /nfs/dbraw/zinc/47/08/74/889470874.db2.gz VRPZMFAMFZJJQI-SECBINFHSA-N 0 3 298.343 -1.036 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCN1CCCC1=O ZINC001405892262 889470884 /nfs/dbraw/zinc/47/08/84/889470884.db2.gz OQNUDDKBRKGWMT-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CC[C@@H](NC[C@H](C)N(C)C(=O)Cn1cncn1)C(N)=O ZINC001405893158 889470924 /nfs/dbraw/zinc/47/09/24/889470924.db2.gz JMLOGSVKCQJHQK-VHSXEESVSA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001405824309 889470990 /nfs/dbraw/zinc/47/09/90/889470990.db2.gz GREWLWGQLZTQJU-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001405893098 889471026 /nfs/dbraw/zinc/47/10/26/889471026.db2.gz GLAQHNHUDINELV-IUCAKERBSA-N 0 3 285.348 -1.549 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)c1cnnn1C ZINC001405812654 889471079 /nfs/dbraw/zinc/47/10/79/889471079.db2.gz OXLHUIATUCQTJK-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)CS(C)(=O)=O ZINC001405796870 889471094 /nfs/dbraw/zinc/47/10/94/889471094.db2.gz RAEPFJOXXFSVCO-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CN1CCOCC1 ZINC001405819520 889471107 /nfs/dbraw/zinc/47/11/07/889471107.db2.gz PRXFYHGZEFWJJB-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001405799997 889471191 /nfs/dbraw/zinc/47/11/91/889471191.db2.gz QCZYDYHDIDWMAD-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C)CN[C@H]1CCNC1=O ZINC001405809637 889471305 /nfs/dbraw/zinc/47/13/05/889471305.db2.gz QWVGGZDMZRFPKO-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)Cn1cnnn1 ZINC001405808813 889471323 /nfs/dbraw/zinc/47/13/23/889471323.db2.gz YQLJMKOLWBENLW-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)Cn1cnnn1 ZINC001405808795 889471372 /nfs/dbraw/zinc/47/13/72/889471372.db2.gz YQLJMKOLWBENLW-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001405875311 889471443 /nfs/dbraw/zinc/47/14/43/889471443.db2.gz OIDCVRUWSMCJLC-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@H](C)CNCC(=O)N(C)C)C1 ZINC001405801710 889471869 /nfs/dbraw/zinc/47/18/69/889471869.db2.gz GHDAVOUGWMGALZ-SNVBAGLBSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001405892776 889471900 /nfs/dbraw/zinc/47/19/00/889471900.db2.gz ILXRYVJGCAEOFL-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN CCN1CCO[C@@H](C(=O)N(C)[C@H](C)CNCC(N)=O)C1 ZINC001405899266 889472311 /nfs/dbraw/zinc/47/23/11/889472311.db2.gz QGZLBSVHVAQFLO-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN CC(C)[C@@H](CNC(=O)C[C@H](C)NC(N)=O)NCC(N)=O ZINC001406022245 889474339 /nfs/dbraw/zinc/47/43/39/889474339.db2.gz SNTYRISFGWQSBZ-DTWKUNHWSA-N 0 3 287.364 -1.351 20 0 CAADHN CN(CCCO)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001406126153 889474537 /nfs/dbraw/zinc/47/45/37/889474537.db2.gz OOTORLXLSNDRBL-UHFFFAOYSA-N 0 3 286.376 -1.809 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)CN1CCOCC1=O ZINC001406106783 889475402 /nfs/dbraw/zinc/47/54/02/889475402.db2.gz BMJBIOKRKZDIKW-LLVKDONJSA-N 0 3 287.360 -1.384 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CS(C)(=O)=O ZINC001406467238 889524979 /nfs/dbraw/zinc/52/49/79/889524979.db2.gz RLVCNALAVNOPKZ-IUCAKERBSA-N 0 3 293.389 -1.398 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(N)=O ZINC001406044820 889475802 /nfs/dbraw/zinc/47/58/02/889475802.db2.gz MLSVNWMNKAGVQK-ZJUUUORDSA-N 0 3 284.360 -1.320 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(N)=O ZINC001406044804 889476095 /nfs/dbraw/zinc/47/60/95/889476095.db2.gz MLSVNWMNKAGVQK-UWVGGRQHSA-N 0 3 284.360 -1.320 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001406055366 889476220 /nfs/dbraw/zinc/47/62/20/889476220.db2.gz XDOQASICTNDKMC-RKDXNWHRSA-N 0 3 285.348 -1.774 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cnccn1 ZINC001406181923 889477646 /nfs/dbraw/zinc/47/76/46/889477646.db2.gz BLAORQKFGQMIRM-SNVBAGLBSA-N 0 3 295.343 -1.317 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001406188227 889477695 /nfs/dbraw/zinc/47/76/95/889477695.db2.gz LUUJJYDOIDAUOD-UWVGGRQHSA-N 0 3 289.332 -2.395 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cc(C)on1 ZINC001406183703 889477725 /nfs/dbraw/zinc/47/77/25/889477725.db2.gz BZTHWHHCFCIVAR-DTWKUNHWSA-N 0 3 284.316 -1.202 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cc(C)no1 ZINC001406182346 889477761 /nfs/dbraw/zinc/47/77/61/889477761.db2.gz ITSIKDHVIMIPKE-IUCAKERBSA-N 0 3 284.316 -1.202 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)cnn1C ZINC001406191555 889477898 /nfs/dbraw/zinc/47/78/98/889477898.db2.gz UUOULOLQFAMJMB-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N(C)CCN(C)CCO ZINC001406160430 889477929 /nfs/dbraw/zinc/47/79/29/889477929.db2.gz XLTHJSWTGUSHEL-UHFFFAOYSA-N 0 3 295.405 -1.350 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001406180124 889478029 /nfs/dbraw/zinc/47/80/29/889478029.db2.gz AQWFQGVVBFMYRA-LBPRGKRZSA-N 0 3 297.359 -1.535 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@H](CC)C(N)=O)[nH]n1 ZINC001406190905 889478193 /nfs/dbraw/zinc/47/81/93/889478193.db2.gz OWNNCUFOWBJKHP-NXEZZACHSA-N 0 3 297.359 -1.084 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN(C)C[C@@H](C)OC ZINC001406173751 889478260 /nfs/dbraw/zinc/47/82/60/889478260.db2.gz OJJJKXGHCUNVOT-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)N(C)Cc1cnn(C)c1 ZINC001406181237 889478273 /nfs/dbraw/zinc/47/82/73/889478273.db2.gz BYBVXZGNRCSJEL-LBPRGKRZSA-N 0 3 297.359 -1.535 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@H](CC)C(N)=O)[nH]n1 ZINC001406190916 889478341 /nfs/dbraw/zinc/47/83/41/889478341.db2.gz OWNNCUFOWBJKHP-VHSXEESVSA-N 0 3 297.359 -1.084 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001406189741 889478352 /nfs/dbraw/zinc/47/83/52/889478352.db2.gz NXBDSRSICOHBAO-SECBINFHSA-N 0 3 283.332 -1.432 20 0 CAADHN CN(CCN(C)C(=O)Cc1c[nH]cn1)CC(=O)NC(N)=O ZINC001406139473 889478369 /nfs/dbraw/zinc/47/83/69/889478369.db2.gz MMEMAJNNUMGJNS-UHFFFAOYSA-N 0 3 296.331 -1.463 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@@H](CC)C(N)=O)[nH]n1 ZINC001406190921 889478449 /nfs/dbraw/zinc/47/84/49/889478449.db2.gz OWNNCUFOWBJKHP-ZJUUUORDSA-N 0 3 297.359 -1.084 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@H](C)c1n[nH]c(C)n1 ZINC001406187515 889478475 /nfs/dbraw/zinc/47/84/75/889478475.db2.gz IGMGZMSCHBBVNA-APPZFPTMSA-N 0 3 271.321 -1.113 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2ccc[nH]2)C1=O ZINC001406176858 889479176 /nfs/dbraw/zinc/47/91/76/889479176.db2.gz ALVNPXNORZNBJB-KOLCDFICSA-N 0 3 280.328 -1.074 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cc(C)on1 ZINC001406183696 889479333 /nfs/dbraw/zinc/47/93/33/889479333.db2.gz BZTHWHHCFCIVAR-BDAKNGLRSA-N 0 3 284.316 -1.202 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnn(C)c1C)C(N)=O ZINC001406178018 889479900 /nfs/dbraw/zinc/47/99/00/889479900.db2.gz CRWBCFOYCBFIDH-ONGXEEELSA-N 0 3 297.359 -1.327 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@@H](C)c1n[nH]c(C)n1 ZINC001406187519 889479973 /nfs/dbraw/zinc/47/99/73/889479973.db2.gz IGMGZMSCHBBVNA-IONNQARKSA-N 0 3 271.321 -1.113 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1ccoc1 ZINC001406200394 889481033 /nfs/dbraw/zinc/48/10/33/889481033.db2.gz DQAURTPWXQKTCI-LLVKDONJSA-N 0 3 283.328 -1.023 20 0 CAADHN C[C@@H](C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)C1CC1 ZINC001406198437 889481194 /nfs/dbraw/zinc/48/11/94/889481194.db2.gz BACSSNVFQOMCJF-VXNVDRBHSA-N 0 3 286.332 -1.706 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnc(C)[nH]1)C(N)=O ZINC001406201998 889481711 /nfs/dbraw/zinc/48/17/11/889481711.db2.gz CULUCVFDCONIFW-IUCAKERBSA-N 0 3 283.332 -1.338 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccon1)N1CCCC1 ZINC001406199093 889481864 /nfs/dbraw/zinc/48/18/64/889481864.db2.gz BPSOWTKUQGZORI-JTQLQIEISA-N 0 3 296.327 -1.023 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCc1ccnn1C ZINC001406197286 889481887 /nfs/dbraw/zinc/48/18/87/889481887.db2.gz PTDYJKHECKGULF-JOYOIKCWSA-N 0 3 297.359 -1.489 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C(F)F)C(=O)NC1CC1 ZINC001406203946 889482021 /nfs/dbraw/zinc/48/20/21/889482021.db2.gz RZULRZKSFONFMW-XPUUQOCRSA-N 0 3 279.287 -1.015 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001406203194 889482192 /nfs/dbraw/zinc/48/21/92/889482192.db2.gz SSJIMOBNLRMDFC-JGVFFNPUSA-N 0 3 285.308 -3.126 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001406201842 889482233 /nfs/dbraw/zinc/48/22/33/889482233.db2.gz BBKDHYZMNYIVSJ-JGVFFNPUSA-N 0 3 283.292 -3.372 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C(F)F)C(=O)NC1CC1 ZINC001406203937 889482493 /nfs/dbraw/zinc/48/24/93/889482493.db2.gz RZULRZKSFONFMW-SVRRBLITSA-N 0 3 279.287 -1.015 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ccncc2)C1=O ZINC001406193293 889482731 /nfs/dbraw/zinc/48/27/31/889482731.db2.gz QTGZWOYTASDEMZ-VXGBXAGGSA-N 0 3 292.339 -1.007 20 0 CAADHN CCCC(=O)NC[C@@H](O)CNCC(=O)NC(=O)NCC ZINC001406196401 889483079 /nfs/dbraw/zinc/48/30/79/889483079.db2.gz VYTOHMJFGBDKAV-VIFPVBQESA-N 0 3 288.348 -1.301 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccon1)N1CCCC1 ZINC001406199122 889483216 /nfs/dbraw/zinc/48/32/16/889483216.db2.gz BPSOWTKUQGZORI-SNVBAGLBSA-N 0 3 296.327 -1.023 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001406201511 889483276 /nfs/dbraw/zinc/48/32/76/889483276.db2.gz FDNWWKWQUCSHFN-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN Cc1nnsc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001406193299 889483339 /nfs/dbraw/zinc/48/33/39/889483339.db2.gz XRONTCXLPIBYER-ZCFIWIBFSA-N 0 3 273.318 -1.988 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)c1 ZINC001406201384 889483398 /nfs/dbraw/zinc/48/33/98/889483398.db2.gz BYSDNOIXNOMNKR-RYUDHWBXSA-N 0 3 294.355 -1.016 20 0 CAADHN O=C(CCn1ccnn1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001406212210 889484682 /nfs/dbraw/zinc/48/46/82/889484682.db2.gz LPPAPSAVRNZYFM-ZJUUUORDSA-N 0 3 296.331 -2.377 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1ccon1 ZINC001406205246 889484879 /nfs/dbraw/zinc/48/48/79/889484879.db2.gz GVMIMFYNSIJSGH-NSHDSACASA-N 0 3 298.343 -1.238 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001406205193 889484938 /nfs/dbraw/zinc/48/49/38/889484938.db2.gz AJSYCESAQAEIRI-SSDOTTSWSA-N 0 3 270.293 -2.759 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1ccon1 ZINC001406205226 889484953 /nfs/dbraw/zinc/48/49/53/889484953.db2.gz GVMIMFYNSIJSGH-LLVKDONJSA-N 0 3 298.343 -1.238 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C(F)F)N1CCCC1 ZINC001406213875 889485222 /nfs/dbraw/zinc/48/52/22/889485222.db2.gz YIXLAVFXPIZGBD-MRVPVSSYSA-N 0 3 279.287 -1.059 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)c1 ZINC001406208885 889485269 /nfs/dbraw/zinc/48/52/69/889485269.db2.gz KIAXRDOLGBAJJZ-GFCCVEGCSA-N 0 3 294.355 -1.016 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001406210143 889485414 /nfs/dbraw/zinc/48/54/14/889485414.db2.gz KTMFMWGNLGRXLY-HTQZYQBOSA-N 0 3 295.361 -2.768 20 0 CAADHN CCn1ccnc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001406211469 889485438 /nfs/dbraw/zinc/48/54/38/889485438.db2.gz JBHAPRWDGGJOLK-ZJUUUORDSA-N 0 3 295.343 -1.528 20 0 CAADHN CCn1ccnc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001406211458 889485444 /nfs/dbraw/zinc/48/54/44/889485444.db2.gz JBHAPRWDGGJOLK-UWVGGRQHSA-N 0 3 295.343 -1.528 20 0 CAADHN Cc1cc[nH]c1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001406209427 889485450 /nfs/dbraw/zinc/48/54/50/889485450.db2.gz HWFLRSWIDOAZKJ-NXEZZACHSA-N 0 3 280.328 -1.108 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)COC ZINC001406213465 889485491 /nfs/dbraw/zinc/48/54/91/889485491.db2.gz XIRNYWZSUWPPOQ-SSDOTTSWSA-N 0 3 276.293 -2.845 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001406208544 889485514 /nfs/dbraw/zinc/48/55/14/889485514.db2.gz GOEXOYOMZFZDGC-RKDXNWHRSA-N 0 3 295.343 -1.618 20 0 CAADHN CO[C@H](C)CC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001406208858 889485837 /nfs/dbraw/zinc/48/58/37/889485837.db2.gz KAFPLUMUJQAQBH-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1ccon1 ZINC001406212677 889485885 /nfs/dbraw/zinc/48/58/85/889485885.db2.gz KTNZGXZHDXVOFW-DTWKUNHWSA-N 0 3 282.300 -1.367 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001406210250 889485906 /nfs/dbraw/zinc/48/59/06/889485906.db2.gz KTMFMWGNLGRXLY-JGVFFNPUSA-N 0 3 295.361 -2.768 20 0 CAADHN CCn1ccnc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001406212015 889486197 /nfs/dbraw/zinc/48/61/97/889486197.db2.gz JQOVLPKFAQUVMH-VIFPVBQESA-N 0 3 283.332 -1.671 20 0 CAADHN Cc1cc[nH]c1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001406209460 889486277 /nfs/dbraw/zinc/48/62/77/889486277.db2.gz HWFLRSWIDOAZKJ-VHSXEESVSA-N 0 3 280.328 -1.108 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1ccon1)C(N)=O ZINC001406223851 889487837 /nfs/dbraw/zinc/48/78/37/889487837.db2.gz RNBQIMSVCVPPBK-ZJUUUORDSA-N 0 3 284.316 -1.452 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1ccon1)C(N)=O ZINC001406223840 889487898 /nfs/dbraw/zinc/48/78/98/889487898.db2.gz RNBQIMSVCVPPBK-NXEZZACHSA-N 0 3 284.316 -1.452 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)c1 ZINC001406222325 889487922 /nfs/dbraw/zinc/48/79/22/889487922.db2.gz XXLVNEPDBSDSEO-NXEZZACHSA-N 0 3 295.343 -1.621 20 0 CAADHN CCn1ccnc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001406218095 889488100 /nfs/dbraw/zinc/48/81/00/889488100.db2.gz OQZCGTNFHVQPCF-BDAKNGLRSA-N 0 3 283.332 -1.543 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1scnc1C ZINC001406222186 889488181 /nfs/dbraw/zinc/48/81/81/889488181.db2.gz QSJVUSFDLGMHJE-QMMMGPOBSA-N 0 3 286.357 -1.122 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001406222217 889488230 /nfs/dbraw/zinc/48/82/30/889488230.db2.gz QVEDDEJQNIZOEB-VHSXEESVSA-N 0 3 273.333 -1.632 20 0 CAADHN CN1CCC[C@H](NC[C@H](O)CNC(=O)c2ccn[nH]2)C1=O ZINC001406218199 889488452 /nfs/dbraw/zinc/48/84/52/889488452.db2.gz MYLXXROITLERGF-ONGXEEELSA-N 0 3 295.343 -1.289 20 0 CAADHN O=C(NC[C@H](O)CNCc1cccnc1)[C@@H]1COC(=O)N1 ZINC001406219586 889488496 /nfs/dbraw/zinc/48/84/96/889488496.db2.gz RBKYFJVGVZMSKJ-MNOVXSKESA-N 0 3 294.311 -1.243 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CC1(F)F)NC1CC1 ZINC001406220429 889488626 /nfs/dbraw/zinc/48/86/26/889488626.db2.gz LVARPEQJIQSHPF-DTWKUNHWSA-N 0 3 291.298 -1.013 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1ccon1)C(N)=O ZINC001406223848 889488650 /nfs/dbraw/zinc/48/86/50/889488650.db2.gz RNBQIMSVCVPPBK-VHSXEESVSA-N 0 3 284.316 -1.452 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CC1(O)CCC1 ZINC001406220385 889488744 /nfs/dbraw/zinc/48/87/44/889488744.db2.gz LQSYGXIJKPPJDL-SECBINFHSA-N 0 3 273.333 -1.896 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CC1(F)F)NC1CC1 ZINC001406220441 889488926 /nfs/dbraw/zinc/48/89/26/889488926.db2.gz LVARPEQJIQSHPF-RKDXNWHRSA-N 0 3 291.298 -1.013 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cn(C)nc1C)C(N)=O ZINC001406223587 889488951 /nfs/dbraw/zinc/48/89/51/889488951.db2.gz RBEGTMQACYJATH-KOLCDFICSA-N 0 3 297.359 -1.327 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccncc1F ZINC001406221359 889488961 /nfs/dbraw/zinc/48/89/61/889488961.db2.gz WGXWLIUPSFKGDN-KWQFWETISA-N 0 3 296.302 -1.211 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C1CC1 ZINC001406216425 889488972 /nfs/dbraw/zinc/48/89/72/889488972.db2.gz PKKLAVOIRVOXSI-GXSJLCMTSA-N 0 3 287.360 -1.291 20 0 CAADHN CCn1ccnc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001406218135 889488997 /nfs/dbraw/zinc/48/89/97/889488997.db2.gz OQZCGTNFHVQPCF-RKDXNWHRSA-N 0 3 283.332 -1.543 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)CC1(O)CCC1)NC1CC1 ZINC001406222558 889489049 /nfs/dbraw/zinc/48/90/49/889489049.db2.gz OXFUMEXEJYQXPQ-LLVKDONJSA-N 0 3 299.371 -1.363 20 0 CAADHN CCn1ccnc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001406218111 889489061 /nfs/dbraw/zinc/48/90/61/889489061.db2.gz OQZCGTNFHVQPCF-DTWKUNHWSA-N 0 3 283.332 -1.543 20 0 CAADHN CN1CCC[C@@H](NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1=O ZINC001406218187 889489105 /nfs/dbraw/zinc/48/91/05/889489105.db2.gz MYLXXROITLERGF-MWLCHTKSSA-N 0 3 295.343 -1.289 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1ccon1)C(N)=O ZINC001406223844 889489129 /nfs/dbraw/zinc/48/91/29/889489129.db2.gz RNBQIMSVCVPPBK-UWVGGRQHSA-N 0 3 284.316 -1.452 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1scnc1C ZINC001406222179 889489283 /nfs/dbraw/zinc/48/92/83/889489283.db2.gz QSJVUSFDLGMHJE-MRVPVSSYSA-N 0 3 286.357 -1.122 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001406224106 889489486 /nfs/dbraw/zinc/48/94/86/889489486.db2.gz WAZOYFUKODMZEB-HTRCEHHLSA-N 0 3 270.289 -1.463 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)c1 ZINC001406216625 889489355 /nfs/dbraw/zinc/48/93/55/889489355.db2.gz PSCPZDNIXFZXEB-GHMZBOCLSA-N 0 3 280.328 -1.406 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C1CC1 ZINC001406216433 889489534 /nfs/dbraw/zinc/48/95/34/889489534.db2.gz PKKLAVOIRVOXSI-KOLCDFICSA-N 0 3 287.360 -1.291 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)COC(C)C ZINC001406221661 889489648 /nfs/dbraw/zinc/48/96/48/889489648.db2.gz UNCBVBXBARQHAF-NXEZZACHSA-N 0 3 275.349 -1.387 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1cccnc1 ZINC001406219424 889490005 /nfs/dbraw/zinc/49/00/05/889490005.db2.gz RMCXGTGATMGHTD-GFCCVEGCSA-N 0 3 294.355 -1.221 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@H](O)CNCc1cccnc1 ZINC001406220318 889490119 /nfs/dbraw/zinc/49/01/19/889490119.db2.gz RGFHZVGCBJUULQ-ONGXEEELSA-N 0 3 295.343 -1.295 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccncc1F ZINC001406221353 889490203 /nfs/dbraw/zinc/49/02/03/889490203.db2.gz WGXWLIUPSFKGDN-GZMMTYOYSA-N 0 3 296.302 -1.211 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)C1=CCOCC1 ZINC001406217654 889490257 /nfs/dbraw/zinc/49/02/57/889490257.db2.gz PRSZOWWGCXXBAU-MNOVXSKESA-N 0 3 283.328 -1.712 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccc(F)cn1)C(N)=O ZINC001406217346 889490299 /nfs/dbraw/zinc/49/02/99/889490299.db2.gz PIEAATDBQJAWPE-VXNVDRBHSA-N 0 3 284.291 -1.225 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001406230974 889491248 /nfs/dbraw/zinc/49/12/48/889491248.db2.gz XRIMFXGKQAZJKB-SSDOTTSWSA-N 0 3 270.293 -2.536 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001406227371 889491434 /nfs/dbraw/zinc/49/14/34/889491434.db2.gz UCJACPRDVTUUNH-VIFPVBQESA-N 0 3 298.347 -1.934 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cn(C)nc1C ZINC001406227339 889491487 /nfs/dbraw/zinc/49/14/87/889491487.db2.gz XRNAYOKWHQOJSH-ZJUUUORDSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cn(C)nc1C ZINC001406227335 889491502 /nfs/dbraw/zinc/49/15/02/889491502.db2.gz XRNAYOKWHQOJSH-VHSXEESVSA-N 0 3 297.359 -1.457 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)[nH]1 ZINC001406227460 889491891 /nfs/dbraw/zinc/49/18/91/889491891.db2.gz YCEUQOPGQDBPFT-UWVGGRQHSA-N 0 3 295.343 -1.371 20 0 CAADHN Cc1ncc(CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)o1 ZINC001406232725 889491966 /nfs/dbraw/zinc/49/19/66/889491966.db2.gz FPTOPKHFNXSNCG-APPZFPTMSA-N 0 3 284.316 -1.534 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)n1cncn1 ZINC001406224439 889492621 /nfs/dbraw/zinc/49/26/21/889492621.db2.gz XLSSTIPGHCXAFF-UWVGGRQHSA-N 0 3 298.347 -1.958 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001406224971 889492751 /nfs/dbraw/zinc/49/27/51/889492751.db2.gz TUZIUDGKVZITHW-NSHDSACASA-N 0 3 297.359 -1.487 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)n1cncn1 ZINC001406224442 889492869 /nfs/dbraw/zinc/49/28/69/889492869.db2.gz XLSSTIPGHCXAFF-VHSXEESVSA-N 0 3 298.347 -1.958 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001406230978 889492999 /nfs/dbraw/zinc/49/29/99/889492999.db2.gz XRIMFXGKQAZJKB-ZETCQYMHSA-N 0 3 270.293 -2.536 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccnn1C ZINC001406225921 889493110 /nfs/dbraw/zinc/49/31/10/889493110.db2.gz YOWFVKHIAOIHDK-SECBINFHSA-N 0 3 283.332 -1.811 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccnnc1C ZINC001406231304 889493257 /nfs/dbraw/zinc/49/32/57/889493257.db2.gz DAVZERFDCCKQPN-JTQLQIEISA-N 0 3 295.343 -1.399 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)n1cncn1 ZINC001406224436 889493347 /nfs/dbraw/zinc/49/33/47/889493347.db2.gz XLSSTIPGHCXAFF-NXEZZACHSA-N 0 3 298.347 -1.958 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CNCc1ccnn1C ZINC001406224969 889493428 /nfs/dbraw/zinc/49/34/28/889493428.db2.gz TUZIUDGKVZITHW-LLVKDONJSA-N 0 3 297.359 -1.487 20 0 CAADHN CC(C)n1nccc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001406229964 889493472 /nfs/dbraw/zinc/49/34/72/889493472.db2.gz MDYMAEJGKCHAQD-VIFPVBQESA-N 0 3 283.332 -1.370 20 0 CAADHN Cc1ncc(CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)o1 ZINC001406232751 889493503 /nfs/dbraw/zinc/49/35/03/889493503.db2.gz FPTOPKHFNXSNCG-IONNQARKSA-N 0 3 284.316 -1.534 20 0 CAADHN COCC(C)(C)C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001406241400 889494954 /nfs/dbraw/zinc/49/49/54/889494954.db2.gz HOTRTRLRNQPQOJ-DTWKUNHWSA-N 0 3 275.349 -1.401 20 0 CAADHN CCn1ccc(CNC[C@@H](O)CNC(=O)c2cn[nH]n2)n1 ZINC001406241899 889495400 /nfs/dbraw/zinc/49/54/00/889495400.db2.gz BYMRSCSAMNXCJI-SNVBAGLBSA-N 0 3 293.331 -1.098 20 0 CAADHN COCC(C)(C)C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001406241395 889495425 /nfs/dbraw/zinc/49/54/25/889495425.db2.gz HOTRTRLRNQPQOJ-BDAKNGLRSA-N 0 3 275.349 -1.401 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CNCC(N)=O)cc1=O ZINC001406241135 889495914 /nfs/dbraw/zinc/49/59/14/889495914.db2.gz JZHLYEQAIMWOMU-ZETCQYMHSA-N 0 3 283.288 -3.054 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1cnco1 ZINC001406247703 889495753 /nfs/dbraw/zinc/49/57/53/889495753.db2.gz MIZBUSQOAVXICQ-BDAKNGLRSA-N 0 3 282.300 -1.367 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001406240583 889495774 /nfs/dbraw/zinc/49/57/74/889495774.db2.gz MRPXEHDLKVJEHC-DTWKUNHWSA-N 0 3 286.332 -2.545 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cnco1 ZINC001406240689 889495877 /nfs/dbraw/zinc/49/58/77/889495877.db2.gz DKBOTAKLLKRTIW-SECBINFHSA-N 0 3 284.316 -1.121 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNCc1cn(C)nn1)N(C)C ZINC001406245308 889495951 /nfs/dbraw/zinc/49/59/51/889495951.db2.gz PJFXEDJIZADIJO-VXGBXAGGSA-N 0 3 298.391 -1.278 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cncn1C ZINC001406235996 889496236 /nfs/dbraw/zinc/49/62/36/889496236.db2.gz IZLMUNOMXBJPJL-SNVBAGLBSA-N 0 3 297.359 -1.375 20 0 CAADHN COC1CC(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)C1 ZINC001406245489 889496311 /nfs/dbraw/zinc/49/63/11/889496311.db2.gz MECUORNSKRWJHC-CXQJBGSLSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1ccncc1)C(N)=O ZINC001406242700 889496397 /nfs/dbraw/zinc/49/63/97/889496397.db2.gz CVMHNLZRWYJGFO-PWSUYJOCSA-N 0 3 294.355 -1.045 20 0 CAADHN Cc1cc(OCC(=O)NC[C@@H](O)CNCC(N)=O)no1 ZINC001406234050 889496527 /nfs/dbraw/zinc/49/65/27/889496527.db2.gz FABJIAFLGYVWNB-QMMMGPOBSA-N 0 3 286.288 -2.086 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001406240612 889496537 /nfs/dbraw/zinc/49/65/37/889496537.db2.gz MRPXEHDLKVJEHC-RKDXNWHRSA-N 0 3 286.332 -2.545 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001406251850 889497715 /nfs/dbraw/zinc/49/77/15/889497715.db2.gz JSQPUELFGNJKIL-RKDXNWHRSA-N 0 3 286.332 -2.545 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001406252789 889497813 /nfs/dbraw/zinc/49/78/13/889497813.db2.gz UGRMFSJRYQUPDF-QMMMGPOBSA-N 0 3 299.331 -1.808 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001406251848 889497830 /nfs/dbraw/zinc/49/78/30/889497830.db2.gz JSQPUELFGNJKIL-IUCAKERBSA-N 0 3 286.332 -2.545 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccsn1 ZINC001406252747 889497894 /nfs/dbraw/zinc/49/78/94/889497894.db2.gz UADJPNVQGYWONH-QMMMGPOBSA-N 0 3 286.357 -1.088 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CNC(=O)c2cnco2)C1=O ZINC001406248236 889497906 /nfs/dbraw/zinc/49/79/06/889497906.db2.gz MVJBIHXLPVXYFV-ZJUUUORDSA-N 0 3 296.327 -1.024 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCc2nccn2C1 ZINC001406260538 889497936 /nfs/dbraw/zinc/49/79/36/889497936.db2.gz XETXTYJWZOHICE-UWVGGRQHSA-N 0 3 295.343 -2.003 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1csc(=O)[nH]1 ZINC001406253877 889498123 /nfs/dbraw/zinc/49/81/23/889498123.db2.gz KTHUJRYTBPCTPC-YFKPBYRVSA-N 0 3 274.302 -1.986 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccsn1 ZINC001406252745 889498231 /nfs/dbraw/zinc/49/82/31/889498231.db2.gz UADJPNVQGYWONH-MRVPVSSYSA-N 0 3 286.357 -1.088 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001406252785 889498265 /nfs/dbraw/zinc/49/82/65/889498265.db2.gz UGRMFSJRYQUPDF-MRVPVSSYSA-N 0 3 299.331 -1.808 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)C1(C2CC2)CC1 ZINC001406255341 889498426 /nfs/dbraw/zinc/49/84/26/889498426.db2.gz XXGOLILCBSRQOK-VIFPVBQESA-N 0 3 298.343 -1.562 20 0 CAADHN CCc1nnc(C)cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001406257710 889498454 /nfs/dbraw/zinc/49/84/54/889498454.db2.gz QTSPSAUNKUZRNN-VIFPVBQESA-N 0 3 295.343 -1.487 20 0 CAADHN CCc1nnc(C)cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001406257707 889498737 /nfs/dbraw/zinc/49/87/37/889498737.db2.gz QTSPSAUNKUZRNN-SECBINFHSA-N 0 3 295.343 -1.487 20 0 CAADHN COCC(C)(C)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001406247763 889499102 /nfs/dbraw/zinc/49/91/02/889499102.db2.gz QKXSCYPRXYRLKP-SNVBAGLBSA-N 0 3 289.376 -1.186 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1nccn1C ZINC001406258422 889499133 /nfs/dbraw/zinc/49/91/33/889499133.db2.gz SJOAAXFVOCIWPO-SNVBAGLBSA-N 0 3 297.359 -1.835 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1cnco1 ZINC001406247709 889499525 /nfs/dbraw/zinc/49/95/25/889499525.db2.gz MIZBUSQOAVXICQ-IUCAKERBSA-N 0 3 282.300 -1.367 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1C ZINC001406257843 889499643 /nfs/dbraw/zinc/49/96/43/889499643.db2.gz GMPPXRXVPVXHGS-APPZFPTMSA-N 0 3 283.332 -1.717 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1cnco1 ZINC001406247706 889499856 /nfs/dbraw/zinc/49/98/56/889499856.db2.gz MIZBUSQOAVXICQ-DTWKUNHWSA-N 0 3 282.300 -1.367 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1cnn(C)n1 ZINC001406269449 889500828 /nfs/dbraw/zinc/50/08/28/889500828.db2.gz MWBGXDJRJGQLHJ-SNVBAGLBSA-N 0 3 298.347 -2.440 20 0 CAADHN O=C(NC[C@@H](O)CNCc1ccns1)[C@H]1CNC(=O)N1 ZINC001406265175 889501028 /nfs/dbraw/zinc/50/10/28/889501028.db2.gz IRICAEFYVXNFLG-IONNQARKSA-N 0 3 299.356 -1.609 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@H](C)n1ccnc1 ZINC001406262857 889501359 /nfs/dbraw/zinc/50/13/59/889501359.db2.gz DNMXYQLLRMEUIR-QWRGUYRKSA-N 0 3 297.359 -1.353 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1cnoc1)C(=O)N(C)C ZINC001406262497 889501493 /nfs/dbraw/zinc/50/14/93/889501493.db2.gz ORVFNXLLIQESLF-MWLCHTKSSA-N 0 3 298.343 -1.240 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001406271857 889501774 /nfs/dbraw/zinc/50/17/74/889501774.db2.gz CQQPTSCJOLVKTE-LLVKDONJSA-N 0 3 292.343 -1.047 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001406265167 889501858 /nfs/dbraw/zinc/50/18/58/889501858.db2.gz CXJUZSQZJCKZNB-WCBMZHEXSA-N 0 3 283.332 -1.847 20 0 CAADHN O=C(NC[C@H](O)CNCc1ccns1)[C@@H]1CNC(=O)N1 ZINC001406265046 889501916 /nfs/dbraw/zinc/50/19/16/889501916.db2.gz IRICAEFYVXNFLG-APPZFPTMSA-N 0 3 299.356 -1.609 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cn(CC)cn1)C(N)=O ZINC001406274168 889502252 /nfs/dbraw/zinc/50/22/52/889502252.db2.gz FKWOALQJKICMIO-UWVGGRQHSA-N 0 3 297.359 -1.153 20 0 CAADHN COc1cccc(C(=O)NC[C@@H](O)CNCC(N)=O)c1F ZINC001406269911 889502377 /nfs/dbraw/zinc/50/23/77/889502377.db2.gz AUESGZCYDXWLLW-QMMMGPOBSA-N 0 3 299.302 -1.000 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccn(CC)n1)C(N)=O ZINC001406271482 889502399 /nfs/dbraw/zinc/50/23/99/889502399.db2.gz SZRWQSCWOMLQNV-ZJUUUORDSA-N 0 3 297.359 -1.153 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001406262852 889502716 /nfs/dbraw/zinc/50/27/16/889502716.db2.gz DNMXYQLLRMEUIR-GHMZBOCLSA-N 0 3 297.359 -1.353 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001406265718 889502496 /nfs/dbraw/zinc/50/24/96/889502496.db2.gz ZTYLQFIMTVZQGT-DTWKUNHWSA-N 0 3 274.321 -2.547 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2ccnnc2)C1=O ZINC001406266188 889502554 /nfs/dbraw/zinc/50/25/54/889502554.db2.gz GHNMQWIYTIAAFD-MNOVXSKESA-N 0 3 293.327 -1.612 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001406265970 889502598 /nfs/dbraw/zinc/50/25/98/889502598.db2.gz JVSXPPMBLACWBY-VHSXEESVSA-N 0 3 296.331 -2.332 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1cnoc1)C(=O)N(C)C ZINC001406262284 889502624 /nfs/dbraw/zinc/50/26/24/889502624.db2.gz ORVFNXLLIQESLF-GXSJLCMTSA-N 0 3 298.343 -1.240 20 0 CAADHN Cn1ncnc1CNC[C@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001406264749 889502877 /nfs/dbraw/zinc/50/28/77/889502877.db2.gz BLHVOFVPOHTRPE-JTQLQIEISA-N 0 3 293.331 -1.652 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1nonc1C ZINC001406268721 889502939 /nfs/dbraw/zinc/50/29/39/889502939.db2.gz AAYKTUULGWKTBN-RKDXNWHRSA-N 0 3 299.331 -1.878 20 0 CAADHN CC(C)c1nccn1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001406267277 889502966 /nfs/dbraw/zinc/50/29/66/889502966.db2.gz NFEAIWFROAHDLM-JTQLQIEISA-N 0 3 297.359 -1.442 20 0 CAADHN O=C(NC[C@@H](O)CNCc1ccns1)[C@@H]1CNC(=O)N1 ZINC001406265049 889503132 /nfs/dbraw/zinc/50/31/32/889503132.db2.gz IRICAEFYVXNFLG-CBAPKCEASA-N 0 3 299.356 -1.609 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001406265722 889503285 /nfs/dbraw/zinc/50/32/85/889503285.db2.gz ZTYLQFIMTVZQGT-IUCAKERBSA-N 0 3 274.321 -2.547 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001406264790 889503413 /nfs/dbraw/zinc/50/34/13/889503413.db2.gz HBNAKBMMXRRCAO-MRVPVSSYSA-N 0 3 297.315 -2.462 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001406271118 889503523 /nfs/dbraw/zinc/50/35/23/889503523.db2.gz HGHRFONGFHFFOQ-SECBINFHSA-N 0 3 299.331 -1.478 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNCc1nnn(C)n1)N(C)C ZINC001406264341 889504052 /nfs/dbraw/zinc/50/40/52/889504052.db2.gz XRQXHVAUDDEZBH-UWVGGRQHSA-N 0 3 299.379 -1.883 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnc(C)n1C ZINC001406263936 889504440 /nfs/dbraw/zinc/50/44/40/889504440.db2.gz SMPYGCDOUKRWND-SCZZXKLOSA-N 0 3 297.359 -1.457 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CCNC(N)=O ZINC001406287155 889505280 /nfs/dbraw/zinc/50/52/80/889505280.db2.gz QNYZZTXZMUHADW-QMMMGPOBSA-N 0 3 289.336 -2.800 20 0 CAADHN O=C(NC[C@H](O)CNCc1cccnc1)[C@@H]1CCC(=O)N1 ZINC001406282290 889505371 /nfs/dbraw/zinc/50/53/71/889505371.db2.gz IHUVUDJEAGSEJI-NEPJUHHUSA-N 0 3 292.339 -1.073 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1cncn1C ZINC001406289309 889506129 /nfs/dbraw/zinc/50/61/29/889506129.db2.gz UZUUWNZVRUXBDK-LLVKDONJSA-N 0 3 297.359 -1.883 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1occc1C ZINC001406275191 889506384 /nfs/dbraw/zinc/50/63/84/889506384.db2.gz REWIEAJOIIVIBP-JTQLQIEISA-N 0 3 283.328 -1.057 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)n1 ZINC001406292187 889506570 /nfs/dbraw/zinc/50/65/70/889506570.db2.gz OORBOORJKDGJGI-ONGXEEELSA-N 0 3 295.343 -1.669 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cccnc1)[C@@H]1CCC(=O)N1 ZINC001406282292 889506622 /nfs/dbraw/zinc/50/66/22/889506622.db2.gz IHUVUDJEAGSEJI-RYUDHWBXSA-N 0 3 292.339 -1.073 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001406284360 889507614 /nfs/dbraw/zinc/50/76/14/889507614.db2.gz XAQXTSDDZICTDM-SECBINFHSA-N 0 3 298.343 -1.562 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)COc1cccnc1 ZINC001406282688 889507666 /nfs/dbraw/zinc/50/76/66/889507666.db2.gz RJDNDJMRWRUBGH-JTQLQIEISA-N 0 3 296.327 -1.727 20 0 CAADHN Cc1ncoc1CNC[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001406288895 889507962 /nfs/dbraw/zinc/50/79/62/889507962.db2.gz ZRIDCCISGHWBLE-QMMMGPOBSA-N 0 3 280.288 -1.018 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1(C)CCOCC1)C(N)=O ZINC001406282678 889508135 /nfs/dbraw/zinc/50/81/35/889508135.db2.gz RIOZGTSCTRKEIK-UWVGGRQHSA-N 0 3 287.360 -1.256 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)n1 ZINC001406292170 889508300 /nfs/dbraw/zinc/50/83/00/889508300.db2.gz OORBOORJKDGJGI-MWLCHTKSSA-N 0 3 295.343 -1.669 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ncccn1)NC1CC1 ZINC001406292527 889508438 /nfs/dbraw/zinc/50/84/38/889508438.db2.gz RYRFBXWTYQKXCQ-SNVBAGLBSA-N 0 3 293.327 -1.565 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)Cn1cnnn1 ZINC001406334834 889509208 /nfs/dbraw/zinc/50/92/08/889509208.db2.gz WAWQUGVELUTFGZ-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)Cn1cncn1 ZINC001406332590 889509357 /nfs/dbraw/zinc/50/93/57/889509357.db2.gz BTTWFWHWHRBFBU-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001406313141 889509571 /nfs/dbraw/zinc/50/95/71/889509571.db2.gz IQJGLKOUHZPWHM-LBPRGKRZSA-N 0 3 292.343 -1.117 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)CCNC(N)=O ZINC001406294876 889509829 /nfs/dbraw/zinc/50/98/29/889509829.db2.gz ZFIAQWFAYLIZJC-SNVBAGLBSA-N 0 3 298.347 -1.955 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001406319874 889509894 /nfs/dbraw/zinc/50/98/94/889509894.db2.gz FRYVCGRHASGNMH-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ncccc1F ZINC001406294227 889510019 /nfs/dbraw/zinc/51/00/19/889510019.db2.gz UMLFGYMIHMMVKU-SSDOTTSWSA-N 0 3 270.264 -1.614 20 0 CAADHN Cc1nccn1CC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001406300987 889510166 /nfs/dbraw/zinc/51/01/66/889510166.db2.gz ZOLOOCQVVHZPFL-LLVKDONJSA-N 0 3 297.359 -1.654 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)c1nccnc1N ZINC001406333211 889511027 /nfs/dbraw/zinc/51/10/27/889511027.db2.gz DSWUTMBUCCDKMZ-SECBINFHSA-N 0 3 292.343 -1.001 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001406319882 889511250 /nfs/dbraw/zinc/51/12/50/889511250.db2.gz FRYVCGRHASGNMH-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnc(C2CC2)nc1 ZINC001406295980 889511419 /nfs/dbraw/zinc/51/14/19/889511419.db2.gz VXSKTKKPJPLKPU-JTQLQIEISA-N 0 3 293.327 -1.480 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CNCC(N)=O)n(C)n1 ZINC001406297013 889511576 /nfs/dbraw/zinc/51/15/76/889511576.db2.gz WOEJBEUYQBPFQT-SECBINFHSA-N 0 3 283.332 -1.852 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnc(C2CC2)nc1 ZINC001406295996 889511592 /nfs/dbraw/zinc/51/15/92/889511592.db2.gz VXSKTKKPJPLKPU-SNVBAGLBSA-N 0 3 293.327 -1.480 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)Cc1ccon1 ZINC001406331724 889511625 /nfs/dbraw/zinc/51/16/25/889511625.db2.gz BGZVEXDEKFDQLZ-SSDOTTSWSA-N 0 3 283.288 -1.494 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001406322905 889511713 /nfs/dbraw/zinc/51/17/13/889511713.db2.gz YSUFFNBBTGJSSM-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc2n[nH]nc2n1 ZINC001406369358 889512363 /nfs/dbraw/zinc/51/23/63/889512363.db2.gz YAXNEKXURDKPOH-RQJHMYQMSA-N 0 3 291.315 -1.065 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001406369244 889512419 /nfs/dbraw/zinc/51/24/19/889512419.db2.gz XBUKYARMERCDPU-RKDXNWHRSA-N 0 3 295.343 -1.248 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@@H]1O ZINC001406365855 889512578 /nfs/dbraw/zinc/51/25/78/889512578.db2.gz MQCFZBWJQNTRHE-TUAOUCFPSA-N 0 3 299.371 -1.338 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001406361748 889512615 /nfs/dbraw/zinc/51/26/15/889512615.db2.gz SEJGPXQEMOFXKG-SSDOTTSWSA-N 0 3 283.336 -1.379 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1ccon1 ZINC001406338451 889513169 /nfs/dbraw/zinc/51/31/69/889513169.db2.gz OAXYRQIHVKSZDY-SSDOTTSWSA-N 0 3 283.288 -1.162 20 0 CAADHN CCN(CC)C(=O)CNC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001406360992 889513250 /nfs/dbraw/zinc/51/32/50/889513250.db2.gz NDADLXZDHFARAH-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)[C@@H]1CNC(=O)N1 ZINC001406337220 889513276 /nfs/dbraw/zinc/51/32/76/889513276.db2.gz YPFAXNNLYXZMHJ-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN CO[C@H](C)C(=O)N[C@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001406340595 889513527 /nfs/dbraw/zinc/51/35/27/889513527.db2.gz QWSWATQJNULBGE-BWZBUEFSSA-N 0 3 274.321 -1.301 20 0 CAADHN C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)Cn1ncnn1 ZINC001406362330 889513766 /nfs/dbraw/zinc/51/37/66/889513766.db2.gz ROTZTXVESPSEAD-SECBINFHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCc1nnc[n-]1 ZINC001406346150 889514039 /nfs/dbraw/zinc/51/40/39/889514039.db2.gz AGHGCUWVXSPHSV-BDAKNGLRSA-N 0 3 280.332 -1.280 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCCN(C)C1=O ZINC001406358887 889514203 /nfs/dbraw/zinc/51/42/03/889514203.db2.gz FCPYEZWWTQPPFG-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)c1cn(C)nn1 ZINC001406347803 889514228 /nfs/dbraw/zinc/51/42/28/889514228.db2.gz BVXYZUDERKQXRV-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CN(C)C(=O)C1CC1 ZINC001406366179 889514547 /nfs/dbraw/zinc/51/45/47/889514547.db2.gz VRPDJKXMUAWINR-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001406361751 889514661 /nfs/dbraw/zinc/51/46/61/889514661.db2.gz SGGROKINGVZZKY-ZDMBXUJBSA-N 0 3 295.343 -1.261 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1nnn(C)c1C ZINC001406339868 889514676 /nfs/dbraw/zinc/51/46/76/889514676.db2.gz VICNYBKRUOBEHD-MRVPVSSYSA-N 0 3 282.348 -1.032 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@H](C)C(=O)N(C)C ZINC001406360825 889514817 /nfs/dbraw/zinc/51/48/17/889514817.db2.gz KVMCJFJPVYGGSO-RKDXNWHRSA-N 0 3 287.364 -1.514 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCCN(C)C1=O ZINC001406358884 889515020 /nfs/dbraw/zinc/51/50/20/889515020.db2.gz FCPYEZWWTQPPFG-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1ccnc2n[nH]nc21 ZINC001406363934 889515062 /nfs/dbraw/zinc/51/50/62/889515062.db2.gz CMEOYRIWSBFHPG-RNFRBKRXSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001406367187 889515084 /nfs/dbraw/zinc/51/50/84/889515084.db2.gz LSHCMVVQKRYLRA-MXWKQRLJSA-N 0 3 296.371 -1.020 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)[C@H](C)NC(N)=O)n[nH]1 ZINC001406348434 889515223 /nfs/dbraw/zinc/51/52/23/889515223.db2.gz CGBZWVCARZDXEF-RQJHMYQMSA-N 0 3 283.336 -1.236 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cn(C)ccc1=O ZINC001406384078 889516108 /nfs/dbraw/zinc/51/61/08/889516108.db2.gz NDISCUMLLFHCRV-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001406393416 889517050 /nfs/dbraw/zinc/51/70/50/889517050.db2.gz OMSJQWFXBZKXEQ-BDAKNGLRSA-N 0 3 294.359 -1.500 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001406385073 889517093 /nfs/dbraw/zinc/51/70/93/889517093.db2.gz VLNPAKMLBPRBKK-ZJUUUORDSA-N 0 3 297.359 -2.599 20 0 CAADHN CC(C)CS(=O)(=O)CC(=O)N[C@H](C)CNCC(N)=O ZINC001406388808 889517271 /nfs/dbraw/zinc/51/72/71/889517271.db2.gz ZBDHNPNIBJWFLL-SECBINFHSA-N 0 3 293.389 -1.363 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001406387699 889517335 /nfs/dbraw/zinc/51/73/35/889517335.db2.gz WDQHBLMTJKDBIO-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1c[nH]c(=O)cn1 ZINC001406388065 889517451 /nfs/dbraw/zinc/51/74/51/889517451.db2.gz NKSGJHPZDQBKOF-BDAKNGLRSA-N 0 3 295.343 -1.046 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001406381653 889517764 /nfs/dbraw/zinc/51/77/64/889517764.db2.gz FKDADARVNOJOLS-KXUCPTDWSA-N 0 3 284.360 -1.164 20 0 CAADHN Cc1ncc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)n1C ZINC001406390670 889517674 /nfs/dbraw/zinc/51/76/74/889517674.db2.gz ICXJXEKRNRAXLS-SSDOTTSWSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccn2nnnc2c1 ZINC001406387697 889517824 /nfs/dbraw/zinc/51/78/24/889517824.db2.gz WZLPOVFVPZJRQV-SFYZADRCSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccc(C(N)=O)o1 ZINC001406382361 889517877 /nfs/dbraw/zinc/51/78/77/889517877.db2.gz MCOZTFFIESWKGH-HTQZYQBOSA-N 0 3 294.311 -1.025 20 0 CAADHN C[C@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)c1nnn(C)n1 ZINC001406395578 889517933 /nfs/dbraw/zinc/51/79/33/889517933.db2.gz VJXFSLBUGYAYDE-RKDXNWHRSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001406376280 889518222 /nfs/dbraw/zinc/51/82/22/889518222.db2.gz DDJMUNYUGBYLOE-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001406378947 889518420 /nfs/dbraw/zinc/51/84/20/889518420.db2.gz ANFJKIYUBTZDLO-ZJUUUORDSA-N 0 3 284.360 -1.035 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001406376285 889518452 /nfs/dbraw/zinc/51/84/52/889518452.db2.gz DDJMUNYUGBYLOE-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(C(N)=O)o1 ZINC001406382372 889518503 /nfs/dbraw/zinc/51/85/03/889518503.db2.gz MCOZTFFIESWKGH-SFYZADRCSA-N 0 3 294.311 -1.025 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CNC(=O)c1ccncc1 ZINC001406371069 889518548 /nfs/dbraw/zinc/51/85/48/889518548.db2.gz YOJQAAKZXVGGMD-SECBINFHSA-N 0 3 293.327 -1.609 20 0 CAADHN COC[C@H](C)NC(=O)NC(=O)CNC[C@H](C)NC(C)=O ZINC001406442830 889519321 /nfs/dbraw/zinc/51/93/21/889519321.db2.gz JWGLFUINSLLMTF-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001406403570 889519481 /nfs/dbraw/zinc/51/94/81/889519481.db2.gz BTJCGOOEXSPPIO-RQJHMYQMSA-N 0 3 285.304 -2.575 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCN1CCOCC1 ZINC001406410047 889519570 /nfs/dbraw/zinc/51/95/70/889519570.db2.gz RKZVXKFURKCOPB-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)CCOC ZINC001406440808 889519898 /nfs/dbraw/zinc/51/98/98/889519898.db2.gz ADSKMRYGXTVSCZ-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001406433279 889520243 /nfs/dbraw/zinc/52/02/43/889520243.db2.gz NMLOLHWOCVMSSW-RNFRBKRXSA-N 0 3 280.350 -2.496 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001406458928 889520369 /nfs/dbraw/zinc/52/03/69/889520369.db2.gz ZJZKDEXDUFRJMZ-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CN1CCCC1=O)C(N)=O ZINC001406451513 889520760 /nfs/dbraw/zinc/52/07/60/889520760.db2.gz UEMSGJBUYZKWFR-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CO[C@H](C)CC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001406453824 889521071 /nfs/dbraw/zinc/52/10/71/889521071.db2.gz OPSFUFVANOIKOG-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN COC[C@@H](C)NC(=O)NC(=O)CNC[C@H](C)NC(C)=O ZINC001406442829 889521113 /nfs/dbraw/zinc/52/11/13/889521113.db2.gz JWGLFUINSLLMTF-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCNC(N)=O ZINC001406432023 889521155 /nfs/dbraw/zinc/52/11/55/889521155.db2.gz PSPFFQMVWPZPJS-HTQZYQBOSA-N 0 3 271.321 -1.972 20 0 CAADHN C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)Cn1cnnn1 ZINC001406449985 889521255 /nfs/dbraw/zinc/52/12/55/889521255.db2.gz QFKVTCAULUYVQT-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1ccnn1C ZINC001406456255 889521281 /nfs/dbraw/zinc/52/12/81/889521281.db2.gz XAGSJMRCPXHQIC-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001406455865 889521326 /nfs/dbraw/zinc/52/13/26/889521326.db2.gz OGXKHNHKGSPJTE-DJLDLDEBSA-N 0 3 270.333 -1.377 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnon1 ZINC001406407239 889521686 /nfs/dbraw/zinc/52/16/86/889521686.db2.gz BQWZSSRYPCYVDY-ZCFIWIBFSA-N 0 3 281.276 -1.601 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CNC(=O)C1CC1)C(N)=O ZINC001406452859 889521804 /nfs/dbraw/zinc/52/18/04/889521804.db2.gz JIYVQPRDUDPWLS-JGVFFNPUSA-N 0 3 270.333 -1.519 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN1CCCC1=O ZINC001406445837 889522030 /nfs/dbraw/zinc/52/20/30/889522030.db2.gz BFWFBWIDLMTMMQ-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001406450327 889522686 /nfs/dbraw/zinc/52/26/86/889522686.db2.gz DROJBDSUGIUUNM-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1COCCO1 ZINC001406457207 889522721 /nfs/dbraw/zinc/52/27/21/889522721.db2.gz SYRKDIIWZSUQBC-YUMQZZPRSA-N 0 3 288.304 -2.309 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001406501718 889523685 /nfs/dbraw/zinc/52/36/85/889523685.db2.gz PINNXFYIZDKFNV-VHSXEESVSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1ncn(C)n1 ZINC001406466353 889523718 /nfs/dbraw/zinc/52/37/18/889523718.db2.gz CTHUKSQMMQROBR-ZETCQYMHSA-N 0 3 297.319 -2.021 20 0 CAADHN Cc1ncn(C)c1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001406478192 889523806 /nfs/dbraw/zinc/52/38/06/889523806.db2.gz AIXZEMYZRACZSY-ZETCQYMHSA-N 0 3 296.331 -1.369 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001406515914 889523938 /nfs/dbraw/zinc/52/39/38/889523938.db2.gz JLIIRYJDLTUUGI-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1cnnn1C ZINC001406473393 889524011 /nfs/dbraw/zinc/52/40/11/889524011.db2.gz YVSSYKZGKBSJPB-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001406484533 889524178 /nfs/dbraw/zinc/52/41/78/889524178.db2.gz XIKLGFJWRRWUMC-JGVFFNPUSA-N 0 3 271.321 -2.102 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001406497298 889524199 /nfs/dbraw/zinc/52/41/99/889524199.db2.gz XSFFWMLNBBHBFL-IUCAKERBSA-N 0 3 296.331 -2.435 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001406480239 889524255 /nfs/dbraw/zinc/52/42/55/889524255.db2.gz JAOBTQJGGBPFOW-VHSXEESVSA-N 0 3 298.343 -2.172 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001406513889 889525358 /nfs/dbraw/zinc/52/53/58/889525358.db2.gz DETVFKUZVATBOZ-JGVFFNPUSA-N 0 3 283.332 -1.032 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001406529817 889524818 /nfs/dbraw/zinc/52/48/18/889524818.db2.gz SLONIARXVNEMEP-IUCAKERBSA-N 0 3 285.348 -1.712 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001406507055 889525120 /nfs/dbraw/zinc/52/51/20/889525120.db2.gz WOWYPUUEZDCTTJ-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN CC(C)CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001406527114 889525157 /nfs/dbraw/zinc/52/51/57/889525157.db2.gz HCZZTSNSPWRYFI-UWVGGRQHSA-N 0 3 299.375 -1.466 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@H](C)NC(N)=O ZINC001406463402 889525172 /nfs/dbraw/zinc/52/51/72/889525172.db2.gz AKOAMBHDUQBYNI-XHNCKOQMSA-N 0 3 285.348 -1.584 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001406494547 889525229 /nfs/dbraw/zinc/52/52/29/889525229.db2.gz SRPVQOMFQWNPDQ-JGVFFNPUSA-N 0 3 296.331 -1.874 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001406501714 889525501 /nfs/dbraw/zinc/52/55/01/889525501.db2.gz PINNXFYIZDKFNV-UWVGGRQHSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C1=CCOCC1 ZINC001406463441 889525884 /nfs/dbraw/zinc/52/58/84/889525884.db2.gz BRFXIENBWWAPCH-VIFPVBQESA-N 0 3 298.343 -1.117 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)[C@H](C)NC(N)=O ZINC001406462716 889526124 /nfs/dbraw/zinc/52/61/24/889526124.db2.gz AKOAMBHDUQBYNI-CIUDSAMLSA-N 0 3 285.348 -1.584 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001406489283 889526288 /nfs/dbraw/zinc/52/62/88/889526288.db2.gz AAZTVLAYYDZUGI-UFBFGSQYSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN1CCCCC1=O ZINC001406500372 889526323 /nfs/dbraw/zinc/52/63/23/889526323.db2.gz XRDIKCPZVRRMKZ-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1COC(=O)N1 ZINC001406466341 889526456 /nfs/dbraw/zinc/52/64/56/889526456.db2.gz HUXYLXQZCPCVPW-IUCAKERBSA-N 0 3 284.316 -1.579 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CNC(=O)NC ZINC001406482960 889526580 /nfs/dbraw/zinc/52/65/80/889526580.db2.gz SDYKFMKLPUSKBY-QMMMGPOBSA-N 0 3 273.337 -1.854 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001406494569 889526675 /nfs/dbraw/zinc/52/66/75/889526675.db2.gz SRPVQOMFQWNPDQ-YUMQZZPRSA-N 0 3 296.331 -1.874 20 0 CAADHN CCCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)Cn1ncnn1 ZINC001406478632 889526737 /nfs/dbraw/zinc/52/67/37/889526737.db2.gz DEGICQBDUUCYBB-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001406553250 889528522 /nfs/dbraw/zinc/52/85/22/889528522.db2.gz LULPFACEEDKXPY-LPEHRKFASA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)Cn1cncn1 ZINC001406552992 889528659 /nfs/dbraw/zinc/52/86/59/889528659.db2.gz BKJAGFWDWVKZEX-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ncccn1 ZINC001406545563 889529223 /nfs/dbraw/zinc/52/92/23/889529223.db2.gz VFACIKLGRTVUFN-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)Cn1cncn1 ZINC001406558776 889529293 /nfs/dbraw/zinc/52/92/93/889529293.db2.gz LEFXBYIBDNTYCJ-VIFPVBQESA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cc2ncccn2n1 ZINC001406545549 889529945 /nfs/dbraw/zinc/52/99/45/889529945.db2.gz UZOZIMJYHCUTLN-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCN1CCCC1=O ZINC001406550303 889530854 /nfs/dbraw/zinc/53/08/54/889530854.db2.gz BNKCGGPYIJFQPB-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001406574195 889531061 /nfs/dbraw/zinc/53/10/61/889531061.db2.gz YYCUFZFITKQTQE-JTQLQIEISA-N 0 3 296.375 -1.022 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001406557146 889531363 /nfs/dbraw/zinc/53/13/63/889531363.db2.gz GYSDCJHHPOVAGD-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN CCN1CC[C@H](NC[C@H](C)NC(=O)Cn2cncn2)C1=O ZINC001406565484 889531590 /nfs/dbraw/zinc/53/15/90/889531590.db2.gz YMLLNQNQSCJHLJ-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)Cn1ccc(C)cc1=O ZINC001406539372 889531631 /nfs/dbraw/zinc/53/16/31/889531631.db2.gz UKRUJKRZZHVLND-NSHDSACASA-N 0 3 294.355 -1.003 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)[C@H](C)NC(N)=O ZINC001406620401 889532665 /nfs/dbraw/zinc/53/26/65/889532665.db2.gz VNUYIXKCVIWWQV-ZJUUUORDSA-N 0 3 297.363 -1.229 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001406613164 889532833 /nfs/dbraw/zinc/53/28/33/889532833.db2.gz MXNXXNQSWCPJRZ-VHSXEESVSA-N 0 3 285.348 -1.128 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CNCc1cnnn1C)C1CC1 ZINC001406741638 889533189 /nfs/dbraw/zinc/53/31/89/889533189.db2.gz OXUOIXCWYVPFSL-GFCCVEGCSA-N 0 3 294.359 -1.064 20 0 CAADHN COCC(=O)N[C@@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001406739307 889534456 /nfs/dbraw/zinc/53/44/56/889534456.db2.gz SBFCMTTTWJPGST-QMMMGPOBSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CNS(=O)(=O)N(C)C ZINC001406684175 889535358 /nfs/dbraw/zinc/53/53/58/889535358.db2.gz ACYQVBKDCPKURV-VIFPVBQESA-N 0 3 296.393 -2.189 20 0 CAADHN C[C@H](NC[C@H](NC(=O)c1cn(C)nn1)C1CC1)C(N)=O ZINC001406748721 889537077 /nfs/dbraw/zinc/53/70/77/889537077.db2.gz HUBWMHOEDBBOQG-CBAPKCEASA-N 0 3 280.332 -1.213 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CN1CCCCC1=O)C1CC1 ZINC001406769591 889537434 /nfs/dbraw/zinc/53/74/34/889537434.db2.gz YMSGOESGUNMCMA-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN Cn1cc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)[nH]c1=O ZINC001406779873 889537478 /nfs/dbraw/zinc/53/74/78/889537478.db2.gz PSVRSPNQIDADJG-QMMMGPOBSA-N 0 3 281.316 -1.291 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CN1CCCCC1=O)C1CC1 ZINC001406769587 889537625 /nfs/dbraw/zinc/53/76/25/889537625.db2.gz YMSGOESGUNMCMA-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)CNC(C)=O)C1CC1 ZINC001406748012 889538026 /nfs/dbraw/zinc/53/80/26/889538026.db2.gz VTYHMFKBWSKQDR-LLVKDONJSA-N 0 3 284.360 -1.257 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)C[C@@H]1CCC(=O)NC1)C1CC1 ZINC001406769393 889537807 /nfs/dbraw/zinc/53/78/07/889537807.db2.gz ZXONZBFETZLFEV-ONGXEEELSA-N 0 3 296.371 -1.128 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001406793990 889537823 /nfs/dbraw/zinc/53/78/23/889537823.db2.gz MQLCYWALXZAPBS-KXUCPTDWSA-N 0 3 282.344 -1.662 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)C[C@H]1CCC(=O)NC1)C1CC1 ZINC001406769392 889538272 /nfs/dbraw/zinc/53/82/72/889538272.db2.gz ZXONZBFETZLFEV-MWLCHTKSSA-N 0 3 296.371 -1.128 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001406747655 889538340 /nfs/dbraw/zinc/53/83/40/889538340.db2.gz FDZSYYLOWOHPPI-WCBMZHEXSA-N 0 3 284.360 -1.129 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)C[C@@H]1CCC(=O)NC1)C1CC1 ZINC001406769390 889538383 /nfs/dbraw/zinc/53/83/83/889538383.db2.gz ZXONZBFETZLFEV-GXSJLCMTSA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CN1CCOCC1)C1CC1 ZINC001406772313 889538770 /nfs/dbraw/zinc/53/87/70/889538770.db2.gz HYSZXZIESOKTFC-LLVKDONJSA-N 0 3 284.360 -1.712 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001406762710 889539163 /nfs/dbraw/zinc/53/91/63/889539163.db2.gz ZSLMSOKWPZZKNR-NXEZZACHSA-N 0 3 298.343 -1.333 20 0 CAADHN Cn1nncc1C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001406916239 889544278 /nfs/dbraw/zinc/54/42/78/889544278.db2.gz DHSSVKFLAIKPHA-SECBINFHSA-N 0 3 292.343 -1.054 20 0 CAADHN O=C(Cn1cnnn1)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001406905927 889544581 /nfs/dbraw/zinc/54/45/81/889544581.db2.gz LCXMRLFDHAAIGV-SECBINFHSA-N 0 3 293.331 -1.810 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@H]2COC(=O)N2)CC1)C(N)=O ZINC001406924424 889546005 /nfs/dbraw/zinc/54/60/05/889546005.db2.gz TYCSCKRFTAZMQC-JGVFFNPUSA-N 0 3 284.316 -1.403 20 0 CAADHN C[C@@H](NC1(CNC(=O)[C@H]2CN(C)CCO2)CC1)C(N)=O ZINC001406914393 889546763 /nfs/dbraw/zinc/54/67/63/889546763.db2.gz VQEQETKPCRWFQH-NXEZZACHSA-N 0 3 284.360 -1.571 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@@H]2COC(=O)N2)CC1)C(N)=O ZINC001406924428 889547059 /nfs/dbraw/zinc/54/70/59/889547059.db2.gz TYCSCKRFTAZMQC-SFYZADRCSA-N 0 3 284.316 -1.403 20 0 CAADHN Cn1nncc1CNC1(CNC(=O)c2nnc[nH]2)CC1 ZINC001406971225 889548237 /nfs/dbraw/zinc/54/82/37/889548237.db2.gz AJQOOPCZCRIJDW-UHFFFAOYSA-N 0 3 276.304 -1.015 20 0 CAADHN Cn1nncc1CNC1(CNC(=O)c2ncn[nH]2)CC1 ZINC001406971225 889548251 /nfs/dbraw/zinc/54/82/51/889548251.db2.gz AJQOOPCZCRIJDW-UHFFFAOYSA-N 0 3 276.304 -1.015 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1)C(N)=O ZINC001406967386 889548624 /nfs/dbraw/zinc/54/86/24/889548624.db2.gz UTRZDGBWHJJSSZ-HRDYMLBCSA-N 0 3 282.344 -1.390 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001407108143 889551801 /nfs/dbraw/zinc/55/18/01/889551801.db2.gz PHSHKZOBVLXGMQ-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001407112057 889552172 /nfs/dbraw/zinc/55/21/72/889552172.db2.gz SRIHAHXDKDFEFM-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001407108359 889552408 /nfs/dbraw/zinc/55/24/08/889552408.db2.gz FZEVWCYRPXLHSC-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001407108404 889552442 /nfs/dbraw/zinc/55/24/42/889552442.db2.gz FZEVWCYRPXLHSC-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H](COC)OC ZINC001407112442 889552471 /nfs/dbraw/zinc/55/24/71/889552471.db2.gz DAZKSTJGFAOKAF-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN Cn1nc(C(=O)N2CCC[C@H]2CNCC(N)=O)ccc1=O ZINC001407113558 889552524 /nfs/dbraw/zinc/55/25/24/889552524.db2.gz PFIIQROAXFYECL-VIFPVBQESA-N 0 3 293.327 -1.540 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001407089793 889552545 /nfs/dbraw/zinc/55/25/45/889552545.db2.gz BRBWOVRHGNSEBH-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1COCCO1 ZINC001407101373 889553118 /nfs/dbraw/zinc/55/31/18/889553118.db2.gz UYBFMUCGHBUNCU-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CN1CCCC1=O ZINC001407103882 889553816 /nfs/dbraw/zinc/55/38/16/889553816.db2.gz YOKICNQFRIEKHP-JTQLQIEISA-N 0 3 282.344 -1.325 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001407089790 889553886 /nfs/dbraw/zinc/55/38/86/889553886.db2.gz BRBWOVRHGNSEBH-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)CNC(C)=O ZINC001407096078 889553912 /nfs/dbraw/zinc/55/39/12/889553912.db2.gz RCSGIQYZWLULKP-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001407112066 889554003 /nfs/dbraw/zinc/55/40/03/889554003.db2.gz SRIHAHXDKDFEFM-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001407108139 889554056 /nfs/dbraw/zinc/55/40/56/889554056.db2.gz PHSHKZOBVLXGMQ-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN Cn1ccc(C(=O)NCC2(NCC(N)=O)CCOCC2)n1 ZINC001407305479 889555682 /nfs/dbraw/zinc/55/56/82/889555682.db2.gz GSSSGVDIDVGPJA-UHFFFAOYSA-N 0 3 295.343 -1.226 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001407125662 889556941 /nfs/dbraw/zinc/55/69/41/889556941.db2.gz YDTNEGNMWVLLID-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@@]1(NC(=O)CN2CCNC(=O)C2)CCN(CCO)C1 ZINC001407169837 889557300 /nfs/dbraw/zinc/55/73/00/889557300.db2.gz LCZUZWSFHBLJNU-CYBMUJFWSA-N 0 3 284.360 -2.009 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001407125682 889557582 /nfs/dbraw/zinc/55/75/82/889557582.db2.gz YDTNEGNMWVLLID-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001407351265 889558730 /nfs/dbraw/zinc/55/87/30/889558730.db2.gz OFOVBKBKYMUBOB-GXFFZTMASA-N 0 3 287.360 -1.554 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001407349836 889558921 /nfs/dbraw/zinc/55/89/21/889558921.db2.gz ISKRAVBQEFELSU-TVQRCGJNSA-N 0 3 295.343 -1.621 20 0 CAADHN Cn1nccc1CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001407348994 889559544 /nfs/dbraw/zinc/55/95/44/889559544.db2.gz OCXRJZZMNSQAHE-AWEZNQCLSA-N 0 3 296.371 -1.102 20 0 CAADHN COc1ccc(C(=O)NC[C@]2(O)CCN(CCO)C2)nn1 ZINC001407360900 889559966 /nfs/dbraw/zinc/55/99/66/889559966.db2.gz FIGBKUURUIAIFO-CYBMUJFWSA-N 0 3 296.327 -1.356 20 0 CAADHN C[C@@H](O)CN1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001407352649 889560813 /nfs/dbraw/zinc/56/08/13/889560813.db2.gz PKLXYZHFRYQDRQ-BXKDBHETSA-N 0 3 283.332 -1.638 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001407340076 889561947 /nfs/dbraw/zinc/56/19/47/889561947.db2.gz BBPRNPSJIDOIAE-NSHDSACASA-N 0 3 274.321 -2.539 20 0 CAADHN COc1ccc(C(=O)NC[C@@]2(O)CCN(CCO)C2)nn1 ZINC001407360908 889562352 /nfs/dbraw/zinc/56/23/52/889562352.db2.gz FIGBKUURUIAIFO-ZDUSSCGKSA-N 0 3 296.327 -1.356 20 0 CAADHN CN1C[C@H](C(=O)NC[C@]2(O)CCN(CCO)C2)CC1=O ZINC001407354036 889562989 /nfs/dbraw/zinc/56/29/89/889562989.db2.gz WMAJUDFSYDAHGG-ZWNOBZJWSA-N 0 3 285.344 -1.990 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001407349828 889563032 /nfs/dbraw/zinc/56/30/32/889563032.db2.gz ISKRAVBQEFELSU-NOZJJQNGSA-N 0 3 295.343 -1.621 20 0 CAADHN C[C@H](O)CN1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001407352663 889563219 /nfs/dbraw/zinc/56/32/19/889563219.db2.gz PKLXYZHFRYQDRQ-CABZTGNLSA-N 0 3 283.332 -1.638 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001407369000 889564461 /nfs/dbraw/zinc/56/44/61/889564461.db2.gz VMIDGBAXQVGQMT-CYBMUJFWSA-N 0 3 297.359 -1.185 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)NC1=O ZINC001407384344 889565082 /nfs/dbraw/zinc/56/50/82/889565082.db2.gz PBDHZSROJKTVSS-CABZTGNLSA-N 0 3 286.332 -2.445 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC001407369006 889565124 /nfs/dbraw/zinc/56/51/24/889565124.db2.gz VMIDGBAXQVGQMT-ZDUSSCGKSA-N 0 3 297.359 -1.185 20 0 CAADHN Cn1c(C(=O)NC[C@@]2(O)CCN(CCO)C2)c[nH]c1=O ZINC001407379413 889565582 /nfs/dbraw/zinc/56/55/82/889565582.db2.gz JLLRMDKFWJDFBA-LBPRGKRZSA-N 0 3 284.316 -1.715 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001407378511 889567096 /nfs/dbraw/zinc/56/70/96/889567096.db2.gz ZLKIOERIMOMUJP-WGBDABJCSA-N 0 3 270.329 -1.576 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)NC1=O ZINC001407384354 889567193 /nfs/dbraw/zinc/56/71/93/889567193.db2.gz PBDHZSROJKTVSS-JOYOIKCWSA-N 0 3 286.332 -2.445 20 0 CAADHN CN1CC[C@H](CC(=O)NC[C@@]2(O)CCN(CCO)C2)C1=O ZINC001407393811 889569750 /nfs/dbraw/zinc/56/97/50/889569750.db2.gz VGUJUZKHFITNIZ-RISCZKNCSA-N 0 3 299.371 -1.600 20 0 CAADHN CC(=O)NCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001407520364 889578641 /nfs/dbraw/zinc/57/86/41/889578641.db2.gz KNBFOIHQGRMPGO-ZSBIGDGJSA-N 0 3 296.371 -1.033 20 0 CAADHN O=C(c1ccnnc1)N(CCO)CCN[C@H]1CCNC1=O ZINC001407657996 889582276 /nfs/dbraw/zinc/58/22/76/889582276.db2.gz LEQMPKIIYAIQHC-NSHDSACASA-N 0 3 293.327 -1.611 20 0 CAADHN COCCC(=O)N(CCO)CCN[C@@H]1CCN(C)C1=O ZINC001407658601 889582887 /nfs/dbraw/zinc/58/28/87/889582887.db2.gz QLDMPRKBAFULFP-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)on1 ZINC001407660487 889583619 /nfs/dbraw/zinc/58/36/19/889583619.db2.gz UFUQDPZOIDJZGE-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN O=C(Cn1cncn1)N[C@@]1(CO)CCCN(CCCO)C1 ZINC001407619978 889584119 /nfs/dbraw/zinc/58/41/19/889584119.db2.gz BNDLMZMLWZBZNO-ZDUSSCGKSA-N 0 3 297.359 -1.396 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cccnc1)C(N)=O ZINC001407649567 889584446 /nfs/dbraw/zinc/58/44/46/889584446.db2.gz GINOWZRHNYQWEH-SNVBAGLBSA-N 0 3 280.328 -1.021 20 0 CAADHN O=C([C@@H]1CCCO1)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001407655862 889584743 /nfs/dbraw/zinc/58/47/43/889584743.db2.gz NQRYXQOHXITMBT-NEPJUHHUSA-N 0 3 299.371 -1.146 20 0 CAADHN CCN1CCC[C@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407617107 889585083 /nfs/dbraw/zinc/58/50/83/889585083.db2.gz JWPDBWYMDONGLE-CABZTGNLSA-N 0 3 270.333 -1.369 20 0 CAADHN O=C([C@H]1CCCO1)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001407655879 889585192 /nfs/dbraw/zinc/58/51/92/889585192.db2.gz NQRYXQOHXITMBT-VXGBXAGGSA-N 0 3 299.371 -1.146 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ccnn1C)C(N)=O ZINC001407694367 889586285 /nfs/dbraw/zinc/58/62/85/889586285.db2.gz PBOQVJKZRJAANU-SECBINFHSA-N 0 3 283.332 -1.682 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cnsn1)C(N)=O ZINC001407680004 889586636 /nfs/dbraw/zinc/58/66/36/889586636.db2.gz ANIIOIYZEQWOPR-ZETCQYMHSA-N 0 3 287.345 -1.564 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cc1ccn(C)n1)C(N)=O ZINC001407696865 889586928 /nfs/dbraw/zinc/58/69/28/889586928.db2.gz QEHBRQDZTLYQCJ-SNVBAGLBSA-N 0 3 297.359 -1.753 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cnns1)C(N)=O ZINC001407681829 889587349 /nfs/dbraw/zinc/58/73/49/889587349.db2.gz CLGOHMICRUOGKU-SSDOTTSWSA-N 0 3 287.345 -1.564 20 0 CAADHN Cn1cc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)nn1 ZINC001407694130 889587425 /nfs/dbraw/zinc/58/74/25/889587425.db2.gz OJCFECPTABYEAO-VIFPVBQESA-N 0 3 296.331 -2.272 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C1=COCCC1)C(N)=O ZINC001407704239 889587474 /nfs/dbraw/zinc/58/74/74/889587474.db2.gz XPKCUENHOZGTSK-SNVBAGLBSA-N 0 3 285.344 -1.035 20 0 CAADHN Cc1nc[nH]c1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001407666584 889587683 /nfs/dbraw/zinc/58/76/83/889587683.db2.gz DQBMYMRMVPCFTK-SECBINFHSA-N 0 3 283.332 -1.384 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cncnc1 ZINC001407689013 889587718 /nfs/dbraw/zinc/58/77/18/889587718.db2.gz JFWRGGTXDBOHEN-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)CNC(C)=O ZINC001407743297 889587745 /nfs/dbraw/zinc/58/77/45/889587745.db2.gz LGKRNRIZWSLOQW-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN Cn1cc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)nn1 ZINC001407694122 889588318 /nfs/dbraw/zinc/58/83/18/889588318.db2.gz OJCFECPTABYEAO-SECBINFHSA-N 0 3 296.331 -2.272 20 0 CAADHN CN(C)C1(C(=O)NC[C@H]2COCCN2CC(N)=O)CCC1 ZINC001407742645 889588342 /nfs/dbraw/zinc/58/83/42/889588342.db2.gz PGIMFYPJVUVULW-NSHDSACASA-N 0 3 298.387 -1.227 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1ccon1)C(N)=O ZINC001407688452 889588481 /nfs/dbraw/zinc/58/84/81/889588481.db2.gz IWFBLJDCXAIZEA-VIFPVBQESA-N 0 3 284.316 -1.037 20 0 CAADHN CCn1nncc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001407702454 889588575 /nfs/dbraw/zinc/58/85/75/889588575.db2.gz WVHJCWCBDAZYJG-SECBINFHSA-N 0 3 298.347 -1.804 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)Cn1ccnc1 ZINC001407671348 889588710 /nfs/dbraw/zinc/58/87/10/889588710.db2.gz JCBGITRGDJTOAN-NSHDSACASA-N 0 3 297.359 -1.572 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1ccon1)C(N)=O ZINC001407688424 889588764 /nfs/dbraw/zinc/58/87/64/889588764.db2.gz IWFBLJDCXAIZEA-SECBINFHSA-N 0 3 284.316 -1.037 20 0 CAADHN CCn1nncc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001407702455 889588949 /nfs/dbraw/zinc/58/89/49/889588949.db2.gz WVHJCWCBDAZYJG-VIFPVBQESA-N 0 3 298.347 -1.804 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CCn2cccn2)CCO1 ZINC001407835094 889590419 /nfs/dbraw/zinc/59/04/19/889590419.db2.gz MMBXPFLFELMNRN-NSHDSACASA-N 0 3 295.343 -1.425 20 0 CAADHN Cc1ocnc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001407843603 889590497 /nfs/dbraw/zinc/59/04/97/889590497.db2.gz ZACAFSBEKICCBK-VIFPVBQESA-N 0 3 282.300 -1.101 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CCC(=O)N2C)CCC1 ZINC001407800940 889590618 /nfs/dbraw/zinc/59/06/18/889590618.db2.gz PXAPOMURNJADPP-SNVBAGLBSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001407845114 889590693 /nfs/dbraw/zinc/59/06/93/889590693.db2.gz CUNBRVFHMHXRTR-LLVKDONJSA-N 0 3 295.343 -1.554 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H](C)CC(N)=O)CCC1 ZINC001407793828 889591275 /nfs/dbraw/zinc/59/12/75/889591275.db2.gz UWONFMMYLABUHC-VIFPVBQESA-N 0 3 284.360 -1.128 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)OC)CCO1 ZINC001407828430 889591407 /nfs/dbraw/zinc/59/14/07/889591407.db2.gz HTZKSLNYSWUPHC-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)C2=COCCO2)CCO1)C(N)=O ZINC001407827173 889591443 /nfs/dbraw/zinc/59/14/43/889591443.db2.gz KWTVDPTVOOARNZ-ZJUUUORDSA-N 0 3 299.327 -1.435 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@@]2(C)CCOC2)CCO1 ZINC001407855061 889591628 /nfs/dbraw/zinc/59/16/28/889591628.db2.gz CFAKRGCKSRNGJQ-FZMZJTMJSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cnsn2)CCO1)C(N)=O ZINC001407829458 889591811 /nfs/dbraw/zinc/59/18/11/889591811.db2.gz ILMIAQCQOURSFD-YUMQZZPRSA-N 0 3 299.356 -1.158 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)CCO1 ZINC001407836484 889592030 /nfs/dbraw/zinc/59/20/30/889592030.db2.gz IGHZMXITGROFSL-VHSXEESVSA-N 0 3 299.327 -1.758 20 0 CAADHN Cc1nonc1C(=O)N1CCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001407845253 889592393 /nfs/dbraw/zinc/59/23/93/889592393.db2.gz DMFRRCFZGVYERS-DTWKUNHWSA-N 0 3 297.315 -1.318 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 ZINC001407783161 889592488 /nfs/dbraw/zinc/59/24/88/889592488.db2.gz DCPRXBCWWGZFQQ-VIFPVBQESA-N 0 3 298.343 -1.141 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 ZINC001407807677 889592646 /nfs/dbraw/zinc/59/26/46/889592646.db2.gz ZNAMCBNRNCQSNP-SECBINFHSA-N 0 3 297.359 -1.616 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001407881889 889593697 /nfs/dbraw/zinc/59/36/97/889593697.db2.gz XOXIBYNOXAVDKU-SECBINFHSA-N 0 3 281.316 -1.746 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 ZINC001407914473 889593811 /nfs/dbraw/zinc/59/38/11/889593811.db2.gz CIVMBEQYQXHBHD-VIFPVBQESA-N 0 3 297.363 -1.132 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001407882097 889594216 /nfs/dbraw/zinc/59/42/16/889594216.db2.gz YMMNHNCPQHOURB-SECBINFHSA-N 0 3 297.319 -2.635 20 0 CAADHN COC[C@@H](C)CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001407867492 889594420 /nfs/dbraw/zinc/59/44/20/889594420.db2.gz MQRSBJGQTBUQTM-QWRGUYRKSA-N 0 3 287.360 -1.039 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cnco2)CCO1)C(N)=O ZINC001407871711 889594689 /nfs/dbraw/zinc/59/46/89/889594689.db2.gz WYTHDKSRMMLEIZ-IUCAKERBSA-N 0 3 282.300 -1.021 20 0 CAADHN Cc1nnc(CC(=O)N2CCO[C@H](CNCC(N)=O)C2)[nH]1 ZINC001407873409 889594734 /nfs/dbraw/zinc/59/47/34/889594734.db2.gz LQVFQXSQRDDQQW-SECBINFHSA-N 0 3 296.331 -2.042 20 0 CAADHN Cc1conc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001407864987 889594815 /nfs/dbraw/zinc/59/48/15/889594815.db2.gz KEFZAIPCTGCKKV-SECBINFHSA-N 0 3 282.300 -1.101 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001407877001 889595004 /nfs/dbraw/zinc/59/50/04/889595004.db2.gz UAJGFIKDEVZYKK-SNVBAGLBSA-N 0 3 296.331 -2.159 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2CCOC2)CCOCC1 ZINC001408026342 889598557 /nfs/dbraw/zinc/59/85/57/889598557.db2.gz BZWHWPDZGBTXCC-JTQLQIEISA-N 0 3 285.344 -1.237 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C ZINC001408088321 889600723 /nfs/dbraw/zinc/60/07/23/889600723.db2.gz DLPKVYAVDGGPRO-WCBMZHEXSA-N 0 3 280.332 -1.389 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C ZINC001408087922 889600845 /nfs/dbraw/zinc/60/08/45/889600845.db2.gz HUSAQCQMWLWXQJ-IUCAKERBSA-N 0 3 295.347 -1.604 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C ZINC001408087921 889602402 /nfs/dbraw/zinc/60/24/02/889602402.db2.gz HUSAQCQMWLWXQJ-DTWKUNHWSA-N 0 3 295.347 -1.604 20 0 CAADHN NC(=O)C[NH2+]CC1(O)CCN(C(=O)c2nc[n-]n2)CC1 ZINC001408165829 889605463 /nfs/dbraw/zinc/60/54/63/889605463.db2.gz ZTLNWEZJOJEUFN-UHFFFAOYSA-N 0 3 282.304 -2.153 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)Cn1ncnn1 ZINC001408176760 889605499 /nfs/dbraw/zinc/60/54/99/889605499.db2.gz KTJTXMFEYPBADR-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2ncccn2)CC1 ZINC001408160405 889605566 /nfs/dbraw/zinc/60/55/66/889605566.db2.gz NYXJWKCTZNEMEC-UHFFFAOYSA-N 0 3 293.327 -1.481 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@H]1CCC(=O)N1 ZINC001408263007 889607145 /nfs/dbraw/zinc/60/71/45/889607145.db2.gz GDRZVFBCOBLZRY-SNVBAGLBSA-N 0 3 285.344 -1.800 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)Cn2ncnn2)CC1 ZINC001408265803 889607227 /nfs/dbraw/zinc/60/72/27/889607227.db2.gz DSHVOPVTHKQPLJ-SNVBAGLBSA-N 0 3 298.347 -2.003 20 0 CAADHN NC(=O)CCCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001408273616 889607687 /nfs/dbraw/zinc/60/76/87/889607687.db2.gz FGVVDWKUIKIURD-UHFFFAOYSA-N 0 3 287.360 -1.423 20 0 CAADHN CC(=O)N(C)CC(=O)NC1(CO)CCN(CCO)CC1 ZINC001408257970 889607894 /nfs/dbraw/zinc/60/78/94/889607894.db2.gz NYBBIJJVBCIBSD-UHFFFAOYSA-N 0 3 287.360 -1.600 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@H]1CCOC1 ZINC001408267094 889608245 /nfs/dbraw/zinc/60/82/45/889608245.db2.gz LYURMIABFYTSRH-NSHDSACASA-N 0 3 272.345 -1.042 20 0 CAADHN CN(CCNC(=O)Cn1ncnn1)C(=O)[C@H]1CCCN1C ZINC001408578596 889614002 /nfs/dbraw/zinc/61/40/02/889614002.db2.gz ILHFBIRDQJYAPL-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CC(C)N(C)CC(=O)NCCN(C)C(=O)c1nnn(C)n1 ZINC001408594458 889617396 /nfs/dbraw/zinc/61/73/96/889617396.db2.gz ULXXGFWMVUJFJJ-UHFFFAOYSA-N 0 3 297.363 -1.262 20 0 CAADHN CC(C)N(C)CC(=O)N(C)CCNC(=O)c1nnn(C)n1 ZINC001408656114 889618197 /nfs/dbraw/zinc/61/81/97/889618197.db2.gz UNCZPGMAHXBKDF-UHFFFAOYSA-N 0 3 297.363 -1.262 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001409025873 889623162 /nfs/dbraw/zinc/62/31/62/889623162.db2.gz CGIFIMXOCLMHRA-CABZTGNLSA-N 0 3 296.371 -1.068 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001409025875 889624318 /nfs/dbraw/zinc/62/43/18/889624318.db2.gz CGIFIMXOCLMHRA-SKDRFNHKSA-N 0 3 296.371 -1.068 20 0 CAADHN CCC(=O)NCC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001409038891 889624972 /nfs/dbraw/zinc/62/49/72/889624972.db2.gz KVXZLMOEVAXMKI-NSHDSACASA-N 0 3 296.371 -1.066 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001409054962 889626772 /nfs/dbraw/zinc/62/67/72/889626772.db2.gz LQHDBFQWFAYOGB-NSHDSACASA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)CCNC(N)=O)C1)N(C)C ZINC001409083306 889626888 /nfs/dbraw/zinc/62/68/88/889626888.db2.gz XKSZFYIQPZBTHX-SNVBAGLBSA-N 0 3 299.375 -1.288 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001409085854 889627249 /nfs/dbraw/zinc/62/72/49/889627249.db2.gz ANIYUHKFGUZMCI-NSHDSACASA-N 0 3 296.371 -1.066 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001409087476 889627790 /nfs/dbraw/zinc/62/77/90/889627790.db2.gz DWZDMSHPCXUXAH-SNVBAGLBSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cccn2nnnc12 ZINC001409369761 889633606 /nfs/dbraw/zinc/63/36/06/889633606.db2.gz PGXFVEUTCXGAPR-SFYZADRCSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](NC(=O)Cn1ncnn1)[C@H](C)NCC(=O)N(C)C ZINC001409397923 889633908 /nfs/dbraw/zinc/63/39/08/889633908.db2.gz MKAOYVDWDOVGBH-DTWKUNHWSA-N 0 3 283.336 -1.756 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001409383074 889634225 /nfs/dbraw/zinc/63/42/25/889634225.db2.gz OEDNFDYMDBTPDU-YUMQZZPRSA-N 0 3 283.332 -1.032 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001409383026 889634050 /nfs/dbraw/zinc/63/40/50/889634050.db2.gz OEDNFDYMDBTPDU-JGVFFNPUSA-N 0 3 283.332 -1.032 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CNC(C)=O ZINC001409313604 889634309 /nfs/dbraw/zinc/63/43/09/889634309.db2.gz KRGUDYDWAJYFCZ-BDAKNGLRSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001409353805 889634517 /nfs/dbraw/zinc/63/45/17/889634517.db2.gz ICHXMHJVILKMTG-BDAKNGLRSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)NCC(N)=O ZINC001409422159 889636096 /nfs/dbraw/zinc/63/60/96/889636096.db2.gz GZVACHZAEPILHP-DTWKUNHWSA-N 0 3 298.347 -1.700 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)N(C)CCO ZINC001409601365 889636345 /nfs/dbraw/zinc/63/63/45/889636345.db2.gz RLRBMMSXRUVDGH-ONGXEEELSA-N 0 3 295.343 -1.206 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001409496726 889636654 /nfs/dbraw/zinc/63/66/54/889636654.db2.gz CJXSCCGDGJOPEK-HBNTYKKESA-N 0 3 287.360 -1.291 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCn1cnnn1 ZINC001409408288 889637354 /nfs/dbraw/zinc/63/73/54/889637354.db2.gz PUGNKRBEEDXTCA-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)COCc1nncn1C ZINC001409422173 889637536 /nfs/dbraw/zinc/63/75/36/889637536.db2.gz GZVACHZAEPILHP-RKDXNWHRSA-N 0 3 298.347 -1.700 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001409447450 889637555 /nfs/dbraw/zinc/63/75/55/889637555.db2.gz DCMFXPKODTXTKC-YUMQZZPRSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N(C)CCn1cncn1 ZINC001409614018 889637801 /nfs/dbraw/zinc/63/78/01/889637801.db2.gz UPYKXCANIUBXRL-SECBINFHSA-N 0 3 293.335 -1.448 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cc2n(n1)CCO2 ZINC001409403271 889638048 /nfs/dbraw/zinc/63/80/48/889638048.db2.gz VJIDJTHRNOBDKB-SFYZADRCSA-N 0 3 281.316 -1.143 20 0 CAADHN CNS(=O)(=O)CCC(=O)NC[C@H](C)N(C)CCO ZINC001409557241 889638240 /nfs/dbraw/zinc/63/82/40/889638240.db2.gz QDXWIMVDYNPRJH-VIFPVBQESA-N 0 3 281.378 -1.646 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)N(C)CCO ZINC001409565090 889638308 /nfs/dbraw/zinc/63/83/08/889638308.db2.gz FSBRVBSCCHWQET-JTQLQIEISA-N 0 3 298.343 -2.024 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NC[C@@H](C)N(C)CCO)C(N)=O ZINC001409649629 889642079 /nfs/dbraw/zinc/64/20/79/889642079.db2.gz WSMNJMDSPYPQIN-SCZZXKLOSA-N 0 3 288.348 -2.205 20 0 CAADHN CC(C)N(C)CC(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001409751240 889645241 /nfs/dbraw/zinc/64/52/41/889645241.db2.gz LIPMZZKQIWWHSQ-UHFFFAOYSA-N 0 3 286.376 -1.635 20 0 CAADHN CCCC[C@@H](CNCC(=O)NC)NC(=O)c1nnn(C)n1 ZINC001409828250 889646381 /nfs/dbraw/zinc/64/63/81/889646381.db2.gz KHCCFRFRFYOGLE-VIFPVBQESA-N 0 3 297.363 -1.166 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(CCO)CC1(C)C ZINC001410016115 889648988 /nfs/dbraw/zinc/64/89/88/889648988.db2.gz SDRVEKCISUFHAX-DTWKUNHWSA-N 0 3 272.349 -1.138 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)CCn1cnnn1 ZINC001410013484 889649124 /nfs/dbraw/zinc/64/91/24/889649124.db2.gz BWGOMDSEFOJJNI-SNVBAGLBSA-N 0 3 282.348 -1.118 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cn[nH]c1)N(C)C ZINC001410093303 889662010 /nfs/dbraw/zinc/66/20/10/889662010.db2.gz NODVHJADSSJARZ-WDEREUQCSA-N 0 3 297.359 -1.043 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001410158862 889664156 /nfs/dbraw/zinc/66/41/56/889664156.db2.gz QMBQJRBVTBRHPO-GXSJLCMTSA-N 0 3 295.343 -1.357 20 0 CAADHN C[C@H](NCCF)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001410146377 889664511 /nfs/dbraw/zinc/66/45/11/889664511.db2.gz IOFWNANLMAPXMS-VHSXEESVSA-N 0 3 286.311 -1.152 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC001410150138 889665012 /nfs/dbraw/zinc/66/50/12/889665012.db2.gz FDPHMAHWBGSAGF-XPORZQOISA-N 0 3 297.355 -1.430 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC001410150131 889665167 /nfs/dbraw/zinc/66/51/67/889665167.db2.gz FDPHMAHWBGSAGF-IIEKFROSSA-N 0 3 297.355 -1.430 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001410140153 889665180 /nfs/dbraw/zinc/66/51/80/889665180.db2.gz GCVLQRVUNHNLGD-SCZZXKLOSA-N 0 3 281.316 -1.286 20 0 CAADHN NC(=O)CN1C[C@@H]2[C@@H](CNC(=O)CN3CCCC3)[C@@H]2C1 ZINC001410167690 889665320 /nfs/dbraw/zinc/66/53/20/889665320.db2.gz YNPSSTZZVBIOGX-CNDDSTCGSA-N 0 3 280.372 -1.139 20 0 CAADHN CC[C@H](N[C@@H](C)CN(C)C(=O)CNC(C)=O)C(N)=O ZINC001410329511 889670259 /nfs/dbraw/zinc/67/02/59/889670259.db2.gz TVBBKRHKNJGGJN-WPRPVWTQSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CS(C)(=O)=O ZINC001410332698 889670796 /nfs/dbraw/zinc/67/07/96/889670796.db2.gz BFDWEZKNZMFORK-MRVPVSSYSA-N 0 3 279.362 -1.787 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@H](C)N[C@H]1CCNC1=O ZINC001410334838 889670977 /nfs/dbraw/zinc/67/09/77/889670977.db2.gz BBRGLFNMDIDLPO-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H]1CCNC1=O ZINC001410334833 889671154 /nfs/dbraw/zinc/67/11/54/889671154.db2.gz BBRGLFNMDIDLPO-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN(C)C(=O)CS(C)(=O)=O)NCC(=O)N(C)C ZINC001410345594 889671249 /nfs/dbraw/zinc/67/12/49/889671249.db2.gz NZAJKPBNYAHRFK-SECBINFHSA-N 0 3 293.389 -1.444 20 0 CAADHN C[C@@H](CN(C)C(=O)CS(C)(=O)=O)NCC(=O)N(C)C ZINC001410345600 889671708 /nfs/dbraw/zinc/67/17/08/889671708.db2.gz NZAJKPBNYAHRFK-VIFPVBQESA-N 0 3 293.389 -1.444 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H]1CCNC1=O ZINC001410334843 889671964 /nfs/dbraw/zinc/67/19/64/889671964.db2.gz BBRGLFNMDIDLPO-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CC(=O)N(C)[C@H](CNCC(N)=O)C1CC1)NC(N)=O ZINC001410305869 889672168 /nfs/dbraw/zinc/67/21/68/889672168.db2.gz DUVMZHTVPNQJAU-PSASIEDQSA-N 0 3 299.375 -1.255 20 0 CAADHN C[C@@H](CC(=O)N(C)[C@H](CNCC(N)=O)C1CC1)NC(N)=O ZINC001410305884 889672467 /nfs/dbraw/zinc/67/24/67/889672467.db2.gz DUVMZHTVPNQJAU-WCBMZHEXSA-N 0 3 299.375 -1.255 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001410287598 889672527 /nfs/dbraw/zinc/67/25/27/889672527.db2.gz XWQMYSIJAPCVES-LLVKDONJSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NCC(N)=O ZINC001410383090 889673508 /nfs/dbraw/zinc/67/35/08/889673508.db2.gz NEKOHVPBDGYLDT-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)COC ZINC001410353367 889674747 /nfs/dbraw/zinc/67/47/47/889674747.db2.gz ULAKHTNRLCSRLG-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nnn(C)n1)NCC(=O)N1CCC1 ZINC001410424244 889674923 /nfs/dbraw/zinc/67/49/23/889674923.db2.gz LLCMMKPOYOQXCI-VIFPVBQESA-N 0 3 295.347 -1.508 20 0 CAADHN C[C@H](CN(C)C(=O)c1nnn(C)n1)NCC(=O)N1CCC1 ZINC001410424243 889674944 /nfs/dbraw/zinc/67/49/44/889674944.db2.gz LLCMMKPOYOQXCI-SECBINFHSA-N 0 3 295.347 -1.508 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NCC(N)=O ZINC001410383086 889675067 /nfs/dbraw/zinc/67/50/67/889675067.db2.gz NEKOHVPBDGYLDT-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ncn(C)n1)NCC(=O)N(C)C ZINC001410388507 889675090 /nfs/dbraw/zinc/67/50/90/889675090.db2.gz TYIYZNJBWAGLIC-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001410363025 889675113 /nfs/dbraw/zinc/67/51/13/889675113.db2.gz DNQZGRNQQPBNFT-YUMQZZPRSA-N 0 3 273.337 -1.774 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001410384541 889675202 /nfs/dbraw/zinc/67/52/02/889675202.db2.gz KWQDUGVZDGNWKC-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnnn1C)NCC(=O)N(C)C ZINC001410372174 889675364 /nfs/dbraw/zinc/67/53/64/889675364.db2.gz CFDLLJVCHFPFEU-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN Cc1nc(CN[C@@H](C)CN(C)C(=O)c2nnn(C)n2)n[nH]1 ZINC001410430888 889676437 /nfs/dbraw/zinc/67/64/37/889676437.db2.gz ZBEYFGOXXXLGES-ZETCQYMHSA-N 0 3 293.335 -1.113 20 0 CAADHN C[C@H](CN(C)C(=O)CCN1CCCC1=O)NCC(N)=O ZINC001410501334 889676991 /nfs/dbraw/zinc/67/69/91/889676991.db2.gz JONUMBISROGMCY-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN Cc1nc(CN[C@H](C)CN(C)C(=O)c2nnn(C)n2)n[nH]1 ZINC001410430884 889677177 /nfs/dbraw/zinc/67/71/77/889677177.db2.gz ZBEYFGOXXXLGES-SSDOTTSWSA-N 0 3 293.335 -1.113 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O)n1 ZINC001410445198 889677795 /nfs/dbraw/zinc/67/77/95/889677795.db2.gz ILUSECXGXXEYHI-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001410489367 889677977 /nfs/dbraw/zinc/67/79/77/889677977.db2.gz AHXHSSVGTZJAEH-VIFPVBQESA-N 0 3 293.389 -1.269 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001410577137 889683360 /nfs/dbraw/zinc/68/33/60/889683360.db2.gz ZBUXLDKZFKEPBP-JTQLQIEISA-N 0 3 284.320 -2.519 20 0 CAADHN O=C(Cn1cccn1)NC[C@@H](CO)NCCn1cncn1 ZINC001410581011 889687159 /nfs/dbraw/zinc/68/71/59/889687159.db2.gz YERSECMNXGUDFH-NSHDSACASA-N 0 3 293.331 -1.759 20 0 CAADHN O=C(Cn1cccn1)NC[C@H](CO)NCCn1cncn1 ZINC001410580979 889688118 /nfs/dbraw/zinc/68/81/18/889688118.db2.gz YERSECMNXGUDFH-LLVKDONJSA-N 0 3 293.331 -1.759 20 0 CAADHN O=C(NC[C@H](CO)NCCO)[C@@H]1CCCCS1(=O)=O ZINC001410647722 889696288 /nfs/dbraw/zinc/69/62/88/889696288.db2.gz FDGPRWZKQUDOND-ZJUUUORDSA-N 0 3 294.373 -1.987 20 0 CAADHN C[C@H](O)CN[C@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001410663607 889697921 /nfs/dbraw/zinc/69/79/21/889697921.db2.gz BLRZZLDRZKYNPR-IUCAKERBSA-N 0 3 282.362 -2.131 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)CN(C)C1CCC1 ZINC001410662759 889698634 /nfs/dbraw/zinc/69/86/34/889698634.db2.gz UTUJYMGIUIJIOD-SNVBAGLBSA-N 0 3 286.376 -1.717 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)CN(C)C1CCC1 ZINC001410662754 889699407 /nfs/dbraw/zinc/69/94/07/889699407.db2.gz UTUJYMGIUIJIOD-JTQLQIEISA-N 0 3 286.376 -1.717 20 0 CAADHN C[C@@H](O)CN[C@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001410663592 889700139 /nfs/dbraw/zinc/70/01/39/889700139.db2.gz BLRZZLDRZKYNPR-BDAKNGLRSA-N 0 3 282.362 -2.131 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001410709365 889700947 /nfs/dbraw/zinc/70/09/47/889700947.db2.gz KODQVTHNKGFXIC-NNYUYHANSA-N 0 3 295.343 -1.763 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001410738043 889710719 /nfs/dbraw/zinc/71/07/19/889710719.db2.gz ZZMKGOSAQZYERD-WCBMZHEXSA-N 0 3 298.347 -2.062 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001410738043 889710724 /nfs/dbraw/zinc/71/07/24/889710724.db2.gz ZZMKGOSAQZYERD-WCBMZHEXSA-N 0 3 298.347 -2.062 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCn2ccnn2)[C@H]1C ZINC001410813679 889716873 /nfs/dbraw/zinc/71/68/73/889716873.db2.gz KYMKCBALDSELDO-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN Cc1nc(C)c(CC(=O)NC[C@H](CO)[NH2+]CCO)c(=O)[n-]1 ZINC001410795661 889717249 /nfs/dbraw/zinc/71/72/49/889717249.db2.gz XEOQDVMPSRGGOF-SNVBAGLBSA-N 0 3 298.343 -1.599 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001410819522 889717437 /nfs/dbraw/zinc/71/74/37/889717437.db2.gz QBYCVYOTYJENQA-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1C ZINC001410818713 889718354 /nfs/dbraw/zinc/71/83/54/889718354.db2.gz MDIJKMYLGCRDDT-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN Cn1nncc1CN[C@H](CO)CNC(=O)CN1CCCC1 ZINC001410790911 889718812 /nfs/dbraw/zinc/71/88/12/889718812.db2.gz QDKSWTFSNJZREI-NSHDSACASA-N 0 3 296.375 -1.522 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1C ZINC001410813667 889719641 /nfs/dbraw/zinc/71/96/41/889719641.db2.gz KYMKCBALDSELDO-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CCCC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001410844210 889720834 /nfs/dbraw/zinc/72/08/34/889720834.db2.gz IHDYETBMHJRMCN-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2nccnc2N)C1 ZINC001410834965 889722788 /nfs/dbraw/zinc/72/27/88/889722788.db2.gz HPELPTMGYYTCDC-DTWKUNHWSA-N 0 3 292.343 -1.003 20 0 CAADHN COCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001410823476 889723212 /nfs/dbraw/zinc/72/32/12/889723212.db2.gz PWIOKDRWYSUIRE-JGVFFNPUSA-N 0 3 272.305 -1.593 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CNCC(=O)N1CCC1 ZINC001410968632 889724319 /nfs/dbraw/zinc/72/43/19/889724319.db2.gz CRSKHZJFTXOQCP-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C1=CCOCC1 ZINC001410977585 889724413 /nfs/dbraw/zinc/72/44/13/889724413.db2.gz JHWLVZVRATZCLT-RYUDHWBXSA-N 0 3 297.355 -1.370 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)COC ZINC001410987585 889724464 /nfs/dbraw/zinc/72/44/64/889724464.db2.gz SFYKJBMDWUSUEN-ZJUUUORDSA-N 0 3 275.349 -1.576 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cn(C)cn1)C(N)=O ZINC001410980637 889724490 /nfs/dbraw/zinc/72/44/90/889724490.db2.gz LCQVBCHZGYQSRN-UWVGGRQHSA-N 0 3 297.359 -1.294 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001410987012 889724665 /nfs/dbraw/zinc/72/46/65/889724665.db2.gz RHRVWTRQNIJZKA-IUCAKERBSA-N 0 3 288.348 -2.205 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cccn1C ZINC001410985675 889724681 /nfs/dbraw/zinc/72/46/81/889724681.db2.gz NHTHQAZRWCLVEU-GHMZBOCLSA-N 0 3 294.355 -1.064 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)COC ZINC001410987559 889724749 /nfs/dbraw/zinc/72/47/49/889724749.db2.gz SFYKJBMDWUSUEN-NXEZZACHSA-N 0 3 275.349 -1.576 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001410984563 889724793 /nfs/dbraw/zinc/72/47/93/889724793.db2.gz PKIXVRFISPUFHZ-UWVGGRQHSA-N 0 3 297.359 -1.423 20 0 CAADHN CO[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001410982274 889724890 /nfs/dbraw/zinc/72/48/90/889724890.db2.gz MWDQQENHURLPCQ-JGVFFNPUSA-N 0 3 290.320 -2.375 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001410998716 889724948 /nfs/dbraw/zinc/72/49/48/889724948.db2.gz YKTPTXGYZHWYEE-MRVPVSSYSA-N 0 3 297.315 -2.049 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CN(C)C(=O)C(C)C ZINC001410985160 889725234 /nfs/dbraw/zinc/72/52/34/889725234.db2.gz NATDFYQPNNWBHL-SECBINFHSA-N 0 3 288.348 -1.493 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)[C@H]2COCCO2)CC1(C)C ZINC001410942014 889725378 /nfs/dbraw/zinc/72/53/78/889725378.db2.gz NLAIRCBVHLJXRW-MNOVXSKESA-N 0 3 299.371 -1.026 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cn1cnnn1 ZINC001410974165 889725544 /nfs/dbraw/zinc/72/55/44/889725544.db2.gz HITPKXPSNKVBNC-SSDOTTSWSA-N 0 3 271.281 -3.433 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@@H](O)CNCC(=O)NC)[nH]n1 ZINC001410984422 889725969 /nfs/dbraw/zinc/72/59/69/889725969.db2.gz OBYCAHHGOQVTQM-JTQLQIEISA-N 0 3 297.359 -1.259 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001410942629 889726204 /nfs/dbraw/zinc/72/62/04/889726204.db2.gz REZLBEAVOONUHK-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001410987002 889726295 /nfs/dbraw/zinc/72/62/95/889726295.db2.gz RHRVWTRQNIJZKA-BDAKNGLRSA-N 0 3 288.348 -2.205 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COCCO2)CC1(C)C ZINC001410942011 889726331 /nfs/dbraw/zinc/72/63/31/889726331.db2.gz NLAIRCBVHLJXRW-GHMZBOCLSA-N 0 3 299.371 -1.026 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)n1cccc1 ZINC001410991345 889726362 /nfs/dbraw/zinc/72/63/62/889726362.db2.gz UEHPZFUHBIWCBH-WDEREUQCSA-N 0 3 282.344 -1.057 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cn1cnnn1 ZINC001410974242 889726390 /nfs/dbraw/zinc/72/63/90/889726390.db2.gz HITPKXPSNKVBNC-ZETCQYMHSA-N 0 3 271.281 -3.433 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](N[C@@H](C)C(N)=O)C(C)(C)C1 ZINC001410941082 889726410 /nfs/dbraw/zinc/72/64/10/889726410.db2.gz LJMCWJANDBRPCE-WPRPVWTQSA-N 0 3 284.360 -1.177 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnsn1 ZINC001410984441 889726455 /nfs/dbraw/zinc/72/64/55/889726455.db2.gz OKWOBDIOHRISSE-JGVFFNPUSA-N 0 3 299.356 -1.551 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001410998724 889726468 /nfs/dbraw/zinc/72/64/68/889726468.db2.gz YKTPTXGYZHWYEE-QMMMGPOBSA-N 0 3 297.315 -2.049 20 0 CAADHN CO[C@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001410982262 889726496 /nfs/dbraw/zinc/72/64/96/889726496.db2.gz MWDQQENHURLPCQ-HTQZYQBOSA-N 0 3 290.320 -2.375 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnn(C)c1C ZINC001410972546 889726570 /nfs/dbraw/zinc/72/65/70/889726570.db2.gz FYUUNZJFGZHMDA-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cn(C)cn1)C(N)=O ZINC001410980645 889726640 /nfs/dbraw/zinc/72/66/40/889726640.db2.gz LCQVBCHZGYQSRN-ZJUUUORDSA-N 0 3 297.359 -1.294 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@H](O)CNCC(=O)NC)[nH]n1 ZINC001410984423 889726740 /nfs/dbraw/zinc/72/67/40/889726740.db2.gz OBYCAHHGOQVTQM-SNVBAGLBSA-N 0 3 297.359 -1.259 20 0 CAADHN CC[C@H](OC)C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001410972060 889726863 /nfs/dbraw/zinc/72/68/63/889726863.db2.gz FVCIHPVLVVARHG-MNOVXSKESA-N 0 3 289.376 -1.092 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)OC ZINC001410987263 889726891 /nfs/dbraw/zinc/72/68/91/889726891.db2.gz QLALWFWKFDFRQI-QWRGUYRKSA-N 0 3 289.376 -1.092 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)Cn2ncnn2)CC1(C)C ZINC001410954178 889726935 /nfs/dbraw/zinc/72/69/35/889726935.db2.gz YGPPEAZHGFZRLD-VIFPVBQESA-N 0 3 295.347 -1.754 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001410984584 889727181 /nfs/dbraw/zinc/72/71/81/889727181.db2.gz PKIXVRFISPUFHZ-VHSXEESVSA-N 0 3 297.359 -1.423 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)cnn1 ZINC001411065564 889728013 /nfs/dbraw/zinc/72/80/13/889728013.db2.gz JIKIARGUURMJPE-MWLCHTKSSA-N 0 3 295.343 -1.319 20 0 CAADHN Cc1ccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)cn1 ZINC001411003029 889728127 /nfs/dbraw/zinc/72/81/27/889728127.db2.gz WHKAFHWHJHKADA-NSHDSACASA-N 0 3 280.328 -1.102 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)CC1(O)CCC1)C(N)=O ZINC001411072094 889728416 /nfs/dbraw/zinc/72/84/16/889728416.db2.gz QGDMMKYDEWFVIK-UWVGGRQHSA-N 0 3 287.360 -1.426 20 0 CAADHN CCCc1n[nH]cc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001411057907 889728580 /nfs/dbraw/zinc/72/85/80/889728580.db2.gz KNUBXGDWAONSTD-SECBINFHSA-N 0 3 297.359 -1.130 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccnnc1C ZINC001411074921 889728617 /nfs/dbraw/zinc/72/86/17/889728617.db2.gz XSWYHGKUAVJROH-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN Cc1nn(C)cc1CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001411037926 889728840 /nfs/dbraw/zinc/72/88/40/889728840.db2.gz DFTMYVBEOAKVNO-NSHDSACASA-N 0 3 297.359 -1.835 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cnco1)C(N)=O ZINC001411079450 889728951 /nfs/dbraw/zinc/72/89/51/889728951.db2.gz RWJNGKOFIMXBHI-YUMQZZPRSA-N 0 3 270.289 -1.429 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1ncn(C)n1)C(N)=O ZINC001411076397 889729002 /nfs/dbraw/zinc/72/90/02/889729002.db2.gz QMMVSKZMYSHIFZ-BDAKNGLRSA-N 0 3 298.347 -1.899 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1ncn(C)n1)C(N)=O ZINC001411076459 889729235 /nfs/dbraw/zinc/72/92/35/889729235.db2.gz QMMVSKZMYSHIFZ-RKDXNWHRSA-N 0 3 298.347 -1.899 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001410999166 889729255 /nfs/dbraw/zinc/72/92/55/889729255.db2.gz YXCFQDMGVLZEHR-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccncc1 ZINC001411001480 889729273 /nfs/dbraw/zinc/72/92/73/889729273.db2.gz ISNYIKGUAWPPJK-RYUDHWBXSA-N 0 3 292.339 -1.007 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1n[nH]cc1C ZINC001411062425 889729410 /nfs/dbraw/zinc/72/94/10/889729410.db2.gz JCQWTIXDXSRQMY-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)Cc1ccon1 ZINC001411018456 889729443 /nfs/dbraw/zinc/72/94/43/889729443.db2.gz VQEQHWAEJFQCMP-KOLCDFICSA-N 0 3 298.343 -1.240 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)Cc1ccon1 ZINC001411018459 889729589 /nfs/dbraw/zinc/72/95/89/889729589.db2.gz VQEQHWAEJFQCMP-MWLCHTKSSA-N 0 3 298.343 -1.240 20 0 CAADHN C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001411080133 889729660 /nfs/dbraw/zinc/72/96/60/889729660.db2.gz OQWJGNTVHROICG-BDAKNGLRSA-N 0 3 284.316 -1.415 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)Cc1ccon1 ZINC001411018462 889729705 /nfs/dbraw/zinc/72/97/05/889729705.db2.gz VQEQHWAEJFQCMP-ONGXEEELSA-N 0 3 298.343 -1.240 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cccc(=O)[nH]1 ZINC001411010331 889729736 /nfs/dbraw/zinc/72/97/36/889729736.db2.gz OMNXKCCTVFPWFQ-SECBINFHSA-N 0 3 296.327 -1.444 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C1(F)CCOCC1 ZINC001411040419 889730067 /nfs/dbraw/zinc/73/00/67/889730067.db2.gz IKDRRNHMZJZTAB-SECBINFHSA-N 0 3 291.323 -1.601 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001411083444 889730292 /nfs/dbraw/zinc/73/02/92/889730292.db2.gz ZXTZHKVRDTTXLU-IUCAKERBSA-N 0 3 299.335 -2.784 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cccc(=O)[nH]1 ZINC001411010339 889730511 /nfs/dbraw/zinc/73/05/11/889730511.db2.gz OMNXKCCTVFPWFQ-VIFPVBQESA-N 0 3 296.327 -1.444 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nccc(C)n1 ZINC001411052426 889730626 /nfs/dbraw/zinc/73/06/26/889730626.db2.gz ARHWETXTBBYSRU-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cncc(F)c1 ZINC001411000273 889730736 /nfs/dbraw/zinc/73/07/36/889730736.db2.gz YGAVJCFZOWRAFE-LLVKDONJSA-N 0 3 298.318 -1.011 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1ccon1 ZINC001411043515 889730788 /nfs/dbraw/zinc/73/07/88/889730788.db2.gz CKTYFEXHOZOTJH-JTQLQIEISA-N 0 3 284.316 -1.499 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001410999156 889730853 /nfs/dbraw/zinc/73/08/53/889730853.db2.gz YXCFQDMGVLZEHR-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001411052311 889730916 /nfs/dbraw/zinc/73/09/16/889730916.db2.gz APHYMVILBYWMLT-VIFPVBQESA-N 0 3 298.347 -2.074 20 0 CAADHN Cc1cnn(C)c1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001411079783 889731145 /nfs/dbraw/zinc/73/11/45/889731145.db2.gz BHIUBRPZPWTRTL-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccnnc1C ZINC001411074930 889731194 /nfs/dbraw/zinc/73/11/94/889731194.db2.gz XSWYHGKUAVJROH-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cnco1)C(N)=O ZINC001411079437 889731206 /nfs/dbraw/zinc/73/12/06/889731206.db2.gz RWJNGKOFIMXBHI-SFYZADRCSA-N 0 3 270.289 -1.429 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1nnc(C)o1 ZINC001411053199 889731224 /nfs/dbraw/zinc/73/12/24/889731224.db2.gz BQXRLMHEMUNYBG-SECBINFHSA-N 0 3 299.331 -1.925 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001411099795 889732028 /nfs/dbraw/zinc/73/20/28/889732028.db2.gz NISGZVIVROJCMW-MWLCHTKSSA-N 0 3 295.343 -1.366 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1ccncn1)C(N)=O ZINC001411133782 889732388 /nfs/dbraw/zinc/73/23/88/889732388.db2.gz XVJDLOBGOXGDFU-VHSXEESVSA-N 0 3 295.343 -1.237 20 0 CAADHN Cc1nccn1CC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001411121518 889732426 /nfs/dbraw/zinc/73/24/26/889732426.db2.gz DMSINTSCVAMLPH-MWLCHTKSSA-N 0 3 297.359 -1.526 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001411125904 889732515 /nfs/dbraw/zinc/73/25/15/889732515.db2.gz MOOMMRIQHLDWQH-WDEREUQCSA-N 0 3 297.359 -1.574 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001411099786 889733081 /nfs/dbraw/zinc/73/30/81/889733081.db2.gz NISGZVIVROJCMW-KOLCDFICSA-N 0 3 295.343 -1.366 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)COc1cccnc1 ZINC001411102318 889733375 /nfs/dbraw/zinc/73/33/75/889733375.db2.gz KIMSQCNHAJRANT-JTQLQIEISA-N 0 3 296.327 -1.645 20 0 CAADHN Cc1nc(CNC[C@H](O)CN(C)C(=O)c2cnon2)n[nH]1 ZINC001411124351 889734104 /nfs/dbraw/zinc/73/41/04/889734104.db2.gz JOPRKHOAZVQJSC-QMMMGPOBSA-N 0 3 295.303 -1.281 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001411129808 889734506 /nfs/dbraw/zinc/73/45/06/889734506.db2.gz PSVVZULLYMXESK-ZETCQYMHSA-N 0 3 270.293 -2.427 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001411129808 889734514 /nfs/dbraw/zinc/73/45/14/889734514.db2.gz PSVVZULLYMXESK-ZETCQYMHSA-N 0 3 270.293 -2.427 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001411129797 889734575 /nfs/dbraw/zinc/73/45/75/889734575.db2.gz PSVVZULLYMXESK-SSDOTTSWSA-N 0 3 270.293 -2.427 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001411129797 889734581 /nfs/dbraw/zinc/73/45/81/889734581.db2.gz PSVVZULLYMXESK-SSDOTTSWSA-N 0 3 270.293 -2.427 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001411099809 889734604 /nfs/dbraw/zinc/73/46/04/889734604.db2.gz NISGZVIVROJCMW-ONGXEEELSA-N 0 3 295.343 -1.366 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)Cc1cnoc1 ZINC001411088933 889734723 /nfs/dbraw/zinc/73/47/23/889734723.db2.gz LOMNPBHASQWEER-QWRGUYRKSA-N 0 3 296.327 -1.486 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cccc(=O)n1C ZINC001411091645 889734775 /nfs/dbraw/zinc/73/47/75/889734775.db2.gz GOMHUOIFZKDLOY-VIFPVBQESA-N 0 3 296.327 -2.107 20 0 CAADHN Cc1nc(CNC[C@@H](O)CN(C)C(=O)c2cnon2)n[nH]1 ZINC001411124346 889734845 /nfs/dbraw/zinc/73/48/45/889734845.db2.gz JOPRKHOAZVQJSC-MRVPVSSYSA-N 0 3 295.303 -1.281 20 0 CAADHN Cc1nnc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2ncn[n-]2)o1 ZINC001411122170 889734930 /nfs/dbraw/zinc/73/49/30/889734930.db2.gz HEOJXQQYIFVODB-MRVPVSSYSA-N 0 3 295.303 -1.281 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001411096262 889734959 /nfs/dbraw/zinc/73/49/59/889734959.db2.gz COJXLQLOTGZBRF-JGVFFNPUSA-N 0 3 284.320 -2.289 20 0 CAADHN Cc1nccn1CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001411121514 889735194 /nfs/dbraw/zinc/73/51/94/889735194.db2.gz DMSINTSCVAMLPH-KOLCDFICSA-N 0 3 297.359 -1.526 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001411099736 889735459 /nfs/dbraw/zinc/73/54/59/889735459.db2.gz NISGZVIVROJCMW-GXSJLCMTSA-N 0 3 295.343 -1.366 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)COc1cccnc1 ZINC001411102323 889735521 /nfs/dbraw/zinc/73/55/21/889735521.db2.gz KIMSQCNHAJRANT-SNVBAGLBSA-N 0 3 296.327 -1.645 20 0 CAADHN CN(C[C@H](O)C[N@H+](C)CCCO)C(=O)c1cnc[n-]c1=O ZINC001411168707 889736573 /nfs/dbraw/zinc/73/65/73/889736573.db2.gz QHLKXGISWNXRSQ-SNVBAGLBSA-N 0 3 298.343 -1.071 20 0 CAADHN CN(C[C@H](O)C[N@@H+](C)CCCO)C(=O)c1cnc[n-]c1=O ZINC001411168707 889736577 /nfs/dbraw/zinc/73/65/77/889736577.db2.gz QHLKXGISWNXRSQ-SNVBAGLBSA-N 0 3 298.343 -1.071 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001411167436 889736973 /nfs/dbraw/zinc/73/69/73/889736973.db2.gz CXRRSBYHHHXEII-ZJUUUORDSA-N 0 3 289.332 -1.508 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@@H](O)CN(C)[C@@H](C)C(N)=O)[nH]1 ZINC001411162169 889737095 /nfs/dbraw/zinc/73/70/95/889737095.db2.gz HZBNHSBHFKHVDP-WPRPVWTQSA-N 0 3 297.359 -1.043 20 0 CAADHN CCn1cc(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)cn1 ZINC001411153656 889737796 /nfs/dbraw/zinc/73/77/96/889737796.db2.gz UAUHGEJWOQEYJJ-NSHDSACASA-N 0 3 297.359 -1.660 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@H](O)CN(C)[C@@H](C)C(N)=O)[nH]1 ZINC001411162164 889737875 /nfs/dbraw/zinc/73/78/75/889737875.db2.gz HZBNHSBHFKHVDP-WCBMZHEXSA-N 0 3 297.359 -1.043 20 0 CAADHN COc1cnc(C(=O)N(C)C[C@@H](O)CN(C)CCO)nc1 ZINC001411167145 889738598 /nfs/dbraw/zinc/73/85/98/889738598.db2.gz OFZVWMWFJOZYCF-JTQLQIEISA-N 0 3 298.343 -1.158 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001411150584 889739172 /nfs/dbraw/zinc/73/91/72/889739172.db2.gz WTUMJWHNJOTMHI-WPRPVWTQSA-N 0 3 296.327 -1.317 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)CNC(=O)OC ZINC001411152880 889740597 /nfs/dbraw/zinc/74/05/97/889740597.db2.gz OACIUPBOHSXXDN-SNVBAGLBSA-N 0 3 291.348 -1.260 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)CCc1cnn(C)n1 ZINC001411189715 889741662 /nfs/dbraw/zinc/74/16/62/889741662.db2.gz JXRYQDDHLCSERY-LBPRGKRZSA-N 0 3 299.375 -1.509 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)CCn1cnnn1 ZINC001411212832 889741701 /nfs/dbraw/zinc/74/17/01/889741701.db2.gz FDIDONJYSIOALE-VIFPVBQESA-N 0 3 297.363 -1.331 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)CCc1cnn(C)n1 ZINC001411189710 889744087 /nfs/dbraw/zinc/74/40/87/889744087.db2.gz JXRYQDDHLCSERY-GFCCVEGCSA-N 0 3 299.375 -1.509 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)CCn1cnnn1 ZINC001411212830 889745277 /nfs/dbraw/zinc/74/52/77/889745277.db2.gz FDIDONJYSIOALE-SECBINFHSA-N 0 3 297.363 -1.331 20 0 CAADHN COCCN(CCNC(=O)c1ncn(C)n1)C[C@H](C)O ZINC001411225351 889745802 /nfs/dbraw/zinc/74/58/02/889745802.db2.gz IKZRWNSAFLCTPZ-JTQLQIEISA-N 0 3 285.348 -1.126 20 0 CAADHN CN(C)CCN(C)C(=O)Cn1ncn2nccc2c1=O ZINC001411849785 889767528 /nfs/dbraw/zinc/76/75/28/889767528.db2.gz NYDBSLFFLLPPIE-UHFFFAOYSA-N 0 3 278.316 -1.089 20 0 CAADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cn1nnc(N)n1 ZINC001412046707 889787834 /nfs/dbraw/zinc/78/78/34/889787834.db2.gz RAYAHMIMDGCTPV-SNVBAGLBSA-N 0 3 296.379 -1.603 20 0 CAADHN Nc1nnn(CC(=O)N[C@@H](CO)CN2CCCCC2)n1 ZINC001412106147 889790348 /nfs/dbraw/zinc/79/03/48/889790348.db2.gz DXOJACBNQNZLKC-SECBINFHSA-N 0 3 283.336 -1.782 20 0 CAADHN Nc1nnn(CC(=O)N[C@H](CO)CN2CCCCC2)n1 ZINC001412106149 889790669 /nfs/dbraw/zinc/79/06/69/889790669.db2.gz DXOJACBNQNZLKC-VIFPVBQESA-N 0 3 283.336 -1.782 20 0 CAADHN Nc1nnn(CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)n1 ZINC001412109981 889792947 /nfs/dbraw/zinc/79/29/47/889792947.db2.gz NJAJQQBIOCPEQG-DTWKUNHWSA-N 0 3 281.320 -2.077 20 0 CAADHN Nc1nnn(CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)n1 ZINC001412109974 889793309 /nfs/dbraw/zinc/79/33/09/889793309.db2.gz NJAJQQBIOCPEQG-BDAKNGLRSA-N 0 3 281.320 -2.077 20 0 CAADHN O=C(CNC(=O)Cn1ncnn1)NCCN1CCCCC1 ZINC001412130877 889794293 /nfs/dbraw/zinc/79/42/93/889794293.db2.gz UYQBSMRTNFAMQI-UHFFFAOYSA-N 0 3 295.347 -1.609 20 0 CAADHN CCN1CCN(CCC(=O)N[C@@H]2COC[C@H]2O)CC1 ZINC001412141428 889795587 /nfs/dbraw/zinc/79/55/87/889795587.db2.gz OSIMKTMBDIOAKW-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2C[C@H](O)[C@@H](CO)C2)CC1=O ZINC001412222724 889801949 /nfs/dbraw/zinc/80/19/49/889801949.db2.gz OFAKQZBINVALRN-UTUOFQBUSA-N 0 3 299.371 -1.792 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2C[C@@H](O)[C@H](CO)C2)CC1=O ZINC001412222710 889802888 /nfs/dbraw/zinc/80/28/88/889802888.db2.gz OFAKQZBINVALRN-GRYCIOLGSA-N 0 3 299.371 -1.792 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1nnc(N)n1 ZINC001412268207 889808767 /nfs/dbraw/zinc/80/87/67/889808767.db2.gz MLTFYCNLVWDMMO-QMMMGPOBSA-N 0 3 296.335 -2.166 20 0 CAADHN O=C(C1=C2CCCN=C2NN1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001412307365 889811180 /nfs/dbraw/zinc/81/11/80/889811180.db2.gz YWNIBGJXCIDEDT-VHSXEESVSA-N 0 3 291.355 -1.182 20 0 CAADHN CN(C)C1(C(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CCC1 ZINC001412397400 889821269 /nfs/dbraw/zinc/82/12/69/889821269.db2.gz IUCQGYVFZXRDSQ-DTORHVGOSA-N 0 3 282.344 -1.484 20 0 CAADHN COCCN1CCC(NC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001412457978 889832954 /nfs/dbraw/zinc/83/29/54/889832954.db2.gz STTIQOBBUTZNGZ-JTQLQIEISA-N 0 3 288.348 -1.757 20 0 CAADHN Nc1nnn(CC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC001412481221 889835193 /nfs/dbraw/zinc/83/51/93/889835193.db2.gz ZZZLBTYMLCLSRS-RKDXNWHRSA-N 0 3 281.320 -1.765 20 0 CAADHN O=C(NC[C@]1(CO)COCCN1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001412462208 889835351 /nfs/dbraw/zinc/83/53/51/889835351.db2.gz PBKXPGPCUIZJCC-BREBYQMCSA-N 0 3 280.328 -1.020 20 0 CAADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCN(C)CCO ZINC001412610862 889856783 /nfs/dbraw/zinc/85/67/83/889856783.db2.gz SAWQKFCXZFYNJU-ONGXEEELSA-N 0 3 287.360 -1.698 20 0 CAADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCN(C)CCO ZINC001412610854 889856917 /nfs/dbraw/zinc/85/69/17/889856917.db2.gz SAWQKFCXZFYNJU-GXSJLCMTSA-N 0 3 287.360 -1.698 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001412638234 889859911 /nfs/dbraw/zinc/85/99/11/889859911.db2.gz DWOLMSBRARLMSD-BBBLOLIVSA-N 0 3 295.347 -1.613 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC001412638260 889860481 /nfs/dbraw/zinc/86/04/81/889860481.db2.gz DWOLMSBRARLMSD-UTLUCORTSA-N 0 3 295.347 -1.613 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](CO)NC(=O)CN(C)C(C)C ZINC001412786796 889887578 /nfs/dbraw/zinc/88/75/78/889887578.db2.gz CDCPDXZXYPOZKU-GHMZBOCLSA-N 0 3 289.376 -1.045 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)CN(C)C(C)C ZINC001412786806 889889053 /nfs/dbraw/zinc/88/90/53/889889053.db2.gz CDCPDXZXYPOZKU-WDEREUQCSA-N 0 3 289.376 -1.045 20 0 CAADHN COCC(=O)N[C@@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001412885678 889903115 /nfs/dbraw/zinc/90/31/15/889903115.db2.gz UINNPKFDDHQBII-SNVBAGLBSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC001412943161 889914123 /nfs/dbraw/zinc/91/41/23/889914123.db2.gz RBHNJZJYDWYFLR-AEJSXWLSSA-N 0 3 281.378 -1.767 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1ncc[nH]1)N(C)C ZINC001412924538 889911883 /nfs/dbraw/zinc/91/18/83/889911883.db2.gz OBJRJDZCPVVONC-UWVGGRQHSA-N 0 3 297.359 -1.043 20 0 CAADHN COC(=O)c1cn([C@H]2CCN(C[C@@H](O)CO)C2)nn1 ZINC001412967067 889917848 /nfs/dbraw/zinc/91/78/48/889917848.db2.gz QCPKGKFPTGXOLZ-DTWKUNHWSA-N 0 3 270.289 -1.335 20 0 CAADHN COC(=O)[C@H]1CN(C)CCN(CCNS(C)(=O)=O)C1 ZINC001413009364 889923547 /nfs/dbraw/zinc/92/35/47/889923547.db2.gz IXJCTIAVGJJQDI-JTQLQIEISA-N 0 3 293.389 -1.428 20 0 CAADHN CON1CC[C@H](N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001413031756 889929759 /nfs/dbraw/zinc/92/97/59/889929759.db2.gz XLEBYESQXCEWRL-PRJMDXOYSA-N 0 3 270.289 -2.333 20 0 CAADHN CS(=O)(=O)N1CC(CN2C[C@@H]3C(=O)OC[C@@H]3C2)C1 ZINC001413040790 889932898 /nfs/dbraw/zinc/93/28/98/889932898.db2.gz LKIDPCUWAHEIOC-UWVGGRQHSA-N 0 3 274.342 -1.017 20 0 CAADHN CNC(=O)C1(NCCC(=O)NC(N)=O)CCOCC1 ZINC001413061495 889933627 /nfs/dbraw/zinc/93/36/27/889933627.db2.gz RPCZVJJZRYTBPW-UHFFFAOYSA-N 0 3 272.305 -1.544 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@H]2CNC(=O)C2)CC1=O ZINC001413119968 889940453 /nfs/dbraw/zinc/94/04/53/889940453.db2.gz YJJZMTQDNLTMFW-GHMZBOCLSA-N 0 3 296.371 -1.351 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001413223551 889950755 /nfs/dbraw/zinc/95/07/55/889950755.db2.gz GQIARIGHLAOTTQ-VHSXEESVSA-N 0 3 296.327 -1.794 20 0 CAADHN CN1CCN(C2CCN(C(=O)Cn3ncnn3)CC2)CC1 ZINC001413418049 889982137 /nfs/dbraw/zinc/98/21/37/889982137.db2.gz PPFAGVXGTBGJGQ-UHFFFAOYSA-N 0 3 293.375 -1.089 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCc1nnc2n1CCNC2=O ZINC001413473414 889992488 /nfs/dbraw/zinc/99/24/88/889992488.db2.gz DIJWZINTVLMUHS-UHFFFAOYSA-N 0 3 289.299 -1.088 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001413694529 890007083 /nfs/dbraw/zinc/00/70/83/890007083.db2.gz UKSQLAIHBIPTQB-APPZFPTMSA-N 0 3 272.305 -2.395 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001413858470 890021739 /nfs/dbraw/zinc/02/17/39/890021739.db2.gz OQJXXVGSFAHCQH-OUAUKWLOSA-N 0 3 296.371 -1.094 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001413858464 890022605 /nfs/dbraw/zinc/02/26/05/890022605.db2.gz OQJXXVGSFAHCQH-GARJFASQSA-N 0 3 296.371 -1.094 20 0 CAADHN Nc1nc(N)nc(N2CC(C3CS(=O)(=O)C3)C2)n1 ZINC001413896350 890024612 /nfs/dbraw/zinc/02/46/12/890024612.db2.gz VDAPNLUIIGBOQG-UHFFFAOYSA-N 0 3 270.318 -1.483 20 0 CAADHN Nc1n[nH]c(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC001413908334 890026027 /nfs/dbraw/zinc/02/60/27/890026027.db2.gz RRJMZBXYHXLQNU-JGVFFNPUSA-N 0 3 281.320 -1.653 20 0 CAADHN OC[C@@H]1CN(C[C@H](O)C[C@]2(O)CCOC2)CC[C@H]1O ZINC001413999227 890036139 /nfs/dbraw/zinc/03/61/39/890036139.db2.gz KRJQXLBPBCWDBZ-UMSGYPCISA-N 0 3 275.345 -1.436 20 0 CAADHN Cn1nnnc1CCN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC001413987025 890036795 /nfs/dbraw/zinc/03/67/95/890036795.db2.gz NCTBOLOUOJNUBR-SECBINFHSA-N 0 3 288.377 -1.247 20 0 CAADHN OC[C@@H]1CN(C[C@@H](O)CC2(O)CCOCC2)CC[C@H]1O ZINC001413999235 890036941 /nfs/dbraw/zinc/03/69/41/890036941.db2.gz KTIALVFSMQOPEV-RWMBFGLXSA-N 0 3 289.372 -1.046 20 0 CAADHN OC[C@@H]1CN(C[C@H](O)CC2(O)CCOCC2)CC[C@H]1O ZINC001413999238 890038946 /nfs/dbraw/zinc/03/89/46/890038946.db2.gz KTIALVFSMQOPEV-YNEHKIRRSA-N 0 3 289.372 -1.046 20 0 CAADHN Cn1ccn2c(CCNC3COCCOC3)nnc2c1=O ZINC001414184250 890045835 /nfs/dbraw/zinc/04/58/35/890045835.db2.gz FMVLCRQYPMCJKB-UHFFFAOYSA-N 0 3 293.327 -1.025 20 0 CAADHN NC(=O)Cn1cc(CNC[C@@H]2CCCN2CCCO)nn1 ZINC001414088689 890046047 /nfs/dbraw/zinc/04/60/47/890046047.db2.gz VCUWICKGBOSCBP-LBPRGKRZSA-N 0 3 296.375 -1.300 20 0 CAADHN C[C@H](CNCc1cn(CC(N)=O)nn1)CN1CCOCC1 ZINC001414093577 890047398 /nfs/dbraw/zinc/04/73/98/890047398.db2.gz WGFXHLIEEYKQRM-LLVKDONJSA-N 0 3 296.375 -1.179 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCN(C)[C@@H](CO)C1 ZINC001414344923 890057207 /nfs/dbraw/zinc/05/72/07/890057207.db2.gz SJNWNAVCNDHSHE-LLVKDONJSA-N 0 3 279.406 -1.124 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCN(C)[C@H](CO)C1 ZINC001414344927 890058717 /nfs/dbraw/zinc/05/87/17/890058717.db2.gz SJNWNAVCNDHSHE-NSHDSACASA-N 0 3 279.406 -1.124 20 0 CAADHN CNC(=O)c1ccc(NC(=O)NCCN(C)CCO)nn1 ZINC001414466525 890059914 /nfs/dbraw/zinc/05/99/14/890059914.db2.gz YZAPBRAJNKPDAN-UHFFFAOYSA-N 0 3 296.331 -1.118 20 0 CAADHN NC(=O)NCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001414931088 890081675 /nfs/dbraw/zinc/08/16/75/890081675.db2.gz MASDJPLPWPQFDB-JTQLQIEISA-N 0 3 297.359 -1.532 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](C)NC(=O)CNC(N)=O)N(C)C ZINC001415219097 890086461 /nfs/dbraw/zinc/08/64/61/890086461.db2.gz JKPRLFNQBDDOPW-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN CN(CCNC(=O)c1nnn(C)n1)C(=O)[C@H]1CCCN1C ZINC001415580938 890100253 /nfs/dbraw/zinc/10/02/53/890100253.db2.gz ZPUHJDIDFMYJID-SECBINFHSA-N 0 3 295.347 -1.508 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001416034360 890108172 /nfs/dbraw/zinc/10/81/72/890108172.db2.gz MKIVGUDTLZLWHP-ONGXEEELSA-N 0 3 296.371 -1.081 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)CCNC(N)=O)C1)N(C)C ZINC001415990573 890109267 /nfs/dbraw/zinc/10/92/67/890109267.db2.gz BSFLKMROGSTHPH-SNVBAGLBSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)COC)N(C)C ZINC001416709630 890119635 /nfs/dbraw/zinc/11/96/35/890119635.db2.gz NCGXQZNXXNRUIC-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNC(=O)COC)N(C)C ZINC001416709623 890118871 /nfs/dbraw/zinc/11/88/71/890118871.db2.gz NCGXQZNXXNRUIC-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN COCC(=O)NC[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001416709167 890119563 /nfs/dbraw/zinc/11/95/63/890119563.db2.gz MLQORLQMWHLIIL-JTQLQIEISA-N 0 3 275.349 -1.434 20 0 CAADHN CC(C)(C)[S@@](=O)CCNC(=O)[C@@H](CO)NC(N)=O ZINC001417643947 890150903 /nfs/dbraw/zinc/15/09/03/890150903.db2.gz MFLLKDOLJDGSIN-MDTSDYNXSA-N 0 3 279.362 -1.321 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001416723874 890122261 /nfs/dbraw/zinc/12/22/61/890122261.db2.gz NQLJLTWUCSHKJY-JTQLQIEISA-N 0 3 298.343 -1.110 20 0 CAADHN CC[C@H](C(=O)N[C@@H](C)CNC(=O)CNC(N)=O)N(C)C ZINC001416924057 890133263 /nfs/dbraw/zinc/13/32/63/890133263.db2.gz QHNCCJZOEDEIKV-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CCN(CC)CC(=O)NCC1(NC(=O)CNC(N)=O)CC1 ZINC001417136903 890138179 /nfs/dbraw/zinc/13/81/79/890138179.db2.gz DEXVKPOVJFGLTM-UHFFFAOYSA-N 0 3 299.375 -1.239 20 0 CAADHN C[C@]1(NC(=O)Cn2cnc(C(N)=O)n2)CN2CCC1CC2 ZINC001417565204 890143103 /nfs/dbraw/zinc/14/31/03/890143103.db2.gz BPJGEMVVNQCVFL-ZDUSSCGKSA-N 0 3 292.343 -1.023 20 0 CAADHN CN1CCN(C)[C@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001417641716 890149734 /nfs/dbraw/zinc/14/97/34/890149734.db2.gz IACIYHXJCXPCRA-SNVBAGLBSA-N 0 3 295.343 -1.689 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)NCCc1nncn1C ZINC001417639794 890149781 /nfs/dbraw/zinc/14/97/81/890149781.db2.gz PKWXEQNVPKIGSZ-UHFFFAOYSA-N 0 3 290.349 -2.130 20 0 CAADHN NC(=O)CN1CCC[C@@H](NC(=O)Cn2cnc(N)n2)C1 ZINC001417637948 890149926 /nfs/dbraw/zinc/14/99/26/890149926.db2.gz RHGXHQLTXXKJCL-MRVPVSSYSA-N 0 3 281.320 -2.074 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H]1CN(C)CCN1C ZINC001417641657 890150111 /nfs/dbraw/zinc/15/01/11/890150111.db2.gz GHRRTMMUZQYZHF-NSHDSACASA-N 0 3 299.375 -2.399 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N[C@H]2CCN(C(N)=O)C2)c1=O ZINC001417637321 890150185 /nfs/dbraw/zinc/15/01/85/890150185.db2.gz SCJUGJVQSZACKJ-QMMMGPOBSA-N 0 3 295.299 -2.184 20 0 CAADHN CN(CC(=O)Nc1nn[nH]n1)[C@@H]1CCS(=O)(=O)C1 ZINC001417650914 890150220 /nfs/dbraw/zinc/15/02/20/890150220.db2.gz YTROWZLYKRSCIA-ZCFIWIBFSA-N 0 3 274.306 -1.743 20 0 CAADHN C[C@@H]1CC(=O)NCCN1C(=O)CCCS(N)(=O)=O ZINC001417643270 890150263 /nfs/dbraw/zinc/15/02/63/890150263.db2.gz WDTWCCSMFCSMQN-MRVPVSSYSA-N 0 3 277.346 -1.208 20 0 CAADHN NC(=O)CCNC(=O)c1cc(N2CCOCC2)ncn1 ZINC001417648720 890150348 /nfs/dbraw/zinc/15/03/48/890150348.db2.gz KZCUTULILYNORY-UHFFFAOYSA-N 0 3 279.300 -1.082 20 0 CAADHN CC[C@@H]1COCCN1C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001417645482 890150374 /nfs/dbraw/zinc/15/03/74/890150374.db2.gz SUYALHISJBAOIU-VHSXEESVSA-N 0 3 296.331 -1.185 20 0 CAADHN COC[C@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)CCO1 ZINC001417646511 890150379 /nfs/dbraw/zinc/15/03/79/890150379.db2.gz IIPYUWMULFODMA-ZCFIWIBFSA-N 0 3 284.272 -1.043 20 0 CAADHN COC1(C(=O)NC[C@H]2CCCNC2=O)CS(=O)(=O)C1 ZINC001417635713 890150425 /nfs/dbraw/zinc/15/04/25/890150425.db2.gz DRIWJPPERBOFLJ-MRVPVSSYSA-N 0 3 290.341 -1.558 20 0 CAADHN CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001417642183 890150442 /nfs/dbraw/zinc/15/04/42/890150442.db2.gz YOYHSVFUTSOYMM-ZETCQYMHSA-N 0 3 282.304 -1.742 20 0 CAADHN CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001417642183 890150447 /nfs/dbraw/zinc/15/04/47/890150447.db2.gz YOYHSVFUTSOYMM-ZETCQYMHSA-N 0 3 282.304 -1.742 20 0 CAADHN CN1CCN(C(=O)CNC(=O)c2ncccc2O)CC1=O ZINC001417650172 890150535 /nfs/dbraw/zinc/15/05/35/890150535.db2.gz GIWOXLPBKDDYAX-UHFFFAOYSA-N 0 3 292.295 -1.182 20 0 CAADHN CN1CCN(C)[C@@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001417641695 890150611 /nfs/dbraw/zinc/15/06/11/890150611.db2.gz HJDFZXIMWALKGZ-VIFPVBQESA-N 0 3 295.347 -2.261 20 0 CAADHN C[C@@H](C(=O)NCCC(N)=O)S(=O)(=O)C1CCOCC1 ZINC001417648410 890150626 /nfs/dbraw/zinc/15/06/26/890150626.db2.gz GMPFGNWGWOOTJC-QMMMGPOBSA-N 0 3 292.357 -1.040 20 0 CAADHN C[C@H]1OC(=O)N[C@@H]1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001417637843 890150632 /nfs/dbraw/zinc/15/06/32/890150632.db2.gz MUADXVUOEYZTCT-RQJHMYQMSA-N 0 3 293.345 -1.073 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001417640492 890150751 /nfs/dbraw/zinc/15/07/51/890150751.db2.gz HGEZTMNMVJJYET-PRJMDXOYSA-N 0 3 275.330 -1.742 20 0 CAADHN Cn1cnn(CC(=O)N2CCCS(=O)(=O)CC2)c1=O ZINC001417638311 890150682 /nfs/dbraw/zinc/15/06/82/890150682.db2.gz CISGESQJSYYGGS-UHFFFAOYSA-N 0 3 288.329 -1.771 20 0 CAADHN Cn1cnnc1CCNC(=O)C1=NN(CCO)C(=O)CC1 ZINC001417639947 890150694 /nfs/dbraw/zinc/15/06/94/890150694.db2.gz UMHMLNSIYUZPGN-UHFFFAOYSA-N 0 3 294.315 -1.556 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N[C@@H]2CCN(C(N)=O)C2)c1=O ZINC001417637320 890150709 /nfs/dbraw/zinc/15/07/09/890150709.db2.gz SCJUGJVQSZACKJ-MRVPVSSYSA-N 0 3 295.299 -2.184 20 0 CAADHN C[C@H](CNC(=O)Cn1nnc(N)n1)N1CCN(C)CC1 ZINC001417636729 890150736 /nfs/dbraw/zinc/15/07/36/890150736.db2.gz RSQYBBLKELQSLM-SECBINFHSA-N 0 3 282.352 -1.993 20 0 CAADHN CN1C[C@H](NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)CC1=O ZINC001417637687 890150876 /nfs/dbraw/zinc/15/08/76/890150876.db2.gz HNZSGVRGRATDFP-RQJHMYQMSA-N 0 3 289.313 -2.754 20 0 CAADHN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(N)=O ZINC001417649292 890150883 /nfs/dbraw/zinc/15/08/83/890150883.db2.gz AQZWREZUAJDMSS-IUCAKERBSA-N 0 3 287.316 -1.042 20 0 CAADHN CN(CC(=O)Nc1nn[nH]n1)[C@H]1CCS(=O)(=O)C1 ZINC001417650913 890150898 /nfs/dbraw/zinc/15/08/98/890150898.db2.gz YTROWZLYKRSCIA-LURJTMIESA-N 0 3 274.306 -1.743 20 0 CAADHN CN(CCNS(C)(=O)=O)C(=O)[C@H]1CCNC(=O)CC1 ZINC001417640913 890150943 /nfs/dbraw/zinc/15/09/43/890150943.db2.gz RBFJNAVHWYTRHQ-SECBINFHSA-N 0 3 291.373 -1.090 20 0 CAADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCc1nnc[nH]1 ZINC001417642445 890150975 /nfs/dbraw/zinc/15/09/75/890150975.db2.gz ILDDXKHISKVJSN-XCBNKYQSSA-N 0 3 281.316 -1.261 20 0 CAADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCc1nc[nH]n1 ZINC001417642445 890150978 /nfs/dbraw/zinc/15/09/78/890150978.db2.gz ILDDXKHISKVJSN-XCBNKYQSSA-N 0 3 281.316 -1.261 20 0 CAADHN COC(=O)[C@H](CNC(=O)[C@H](CO)NC(N)=O)CC(C)C ZINC001417646830 890150997 /nfs/dbraw/zinc/15/09/97/890150997.db2.gz SCZDSIOOMKVPDY-IUCAKERBSA-N 0 3 289.332 -1.033 20 0 CAADHN Cn1cc(C(=O)N2CCCS(=O)(=O)CC2)n(C)c1=O ZINC001417638727 890151007 /nfs/dbraw/zinc/15/10/07/890151007.db2.gz MFUKNJDUPNWWEU-UHFFFAOYSA-N 0 3 287.341 -1.016 20 0 CAADHN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)Cn1cnc(N)n1 ZINC001417649055 890151202 /nfs/dbraw/zinc/15/12/02/890151202.db2.gz SVFOMXBHBCQJJF-YUMQZZPRSA-N 0 3 287.345 -1.106 20 0 CAADHN CN(CCNS(C)(=O)=O)C(=O)CCc1cnn(C)n1 ZINC001417640248 890151218 /nfs/dbraw/zinc/15/12/18/890151218.db2.gz CNZUGEMVVVBTRK-UHFFFAOYSA-N 0 3 289.361 -1.245 20 0 CAADHN CC(C)(C)[S@@](=O)CCNC(=O)[C@H](CO)NC(N)=O ZINC001417643949 890151252 /nfs/dbraw/zinc/15/12/52/890151252.db2.gz MFLLKDOLJDGSIN-VIIUKITBSA-N 0 3 279.362 -1.321 20 0 CAADHN CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001417729521 890168601 /nfs/dbraw/zinc/16/86/01/890168601.db2.gz VXMPXPCFIZPEFP-RKDXNWHRSA-N 0 3 280.332 -1.009 20 0 CAADHN CC[C@@H]1[C@@H](NC(=O)CS(=O)(=O)NC)CCN1CCO ZINC001417826588 890171404 /nfs/dbraw/zinc/17/14/04/890171404.db2.gz ISXIJQVDLCRAIF-VHSXEESVSA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](CNCC(N)=O)C1 ZINC001417816605 890171718 /nfs/dbraw/zinc/17/17/18/890171718.db2.gz OWDQDOYBCMLUIY-ZJUUUORDSA-N 0 3 295.347 -1.625 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(N)=O ZINC001417810186 890172120 /nfs/dbraw/zinc/17/21/20/890172120.db2.gz DIFJRFJDEAMVMP-ZJUUUORDSA-N 0 3 299.375 -1.383 20 0 CAADHN O=C(CO)NCCC(=O)NC[C@@H]1CCCCN1CCO ZINC001417875812 890173950 /nfs/dbraw/zinc/17/39/50/890173950.db2.gz YNPIMAYIQRRRIP-NSHDSACASA-N 0 3 287.360 -1.552 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001417842475 890174002 /nfs/dbraw/zinc/17/40/02/890174002.db2.gz GOSDFLCEPBMSKG-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@H](CO)NC(N)=O)C2)CC1 ZINC001417880107 890176176 /nfs/dbraw/zinc/17/61/76/890176176.db2.gz XBPMFHTZZWSWGG-NSHDSACASA-N 0 3 299.375 -2.279 20 0 CAADHN CCN1CCN(CCC(=O)N2C[C@H](O)[C@H](CO)C2)CC1 ZINC001417929876 890178291 /nfs/dbraw/zinc/17/82/91/890178291.db2.gz FIYGDRORVQLWFJ-STQMWFEESA-N 0 3 285.388 -1.174 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001417937645 890182021 /nfs/dbraw/zinc/18/20/21/890182021.db2.gz FZSGNAIZQHEDFA-QWRGUYRKSA-N 0 3 297.359 -1.457 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001417970516 890182659 /nfs/dbraw/zinc/18/26/59/890182659.db2.gz FNBZVMKNHJCRGQ-QWRGUYRKSA-N 0 3 284.360 -1.713 20 0 CAADHN C[C@H]([NH2+][C@@H](CNC(=O)Cc1nnc[n-]1)C1CC1)C(N)=O ZINC001418006025 890184443 /nfs/dbraw/zinc/18/44/43/890184443.db2.gz UMZBDBWJIHVGIJ-CBAPKCEASA-N 0 3 280.332 -1.295 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001418040484 890184459 /nfs/dbraw/zinc/18/44/59/890184459.db2.gz HFWPZMQQQUBMDJ-GARJFASQSA-N 0 3 296.371 -1.020 20 0 CAADHN Cc1nc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)c[nH]1 ZINC001418036880 890184488 /nfs/dbraw/zinc/18/44/88/890184488.db2.gz JVWKQNIHHPNDKZ-QMMMGPOBSA-N 0 3 294.315 -1.283 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001418041795 890184540 /nfs/dbraw/zinc/18/45/40/890184540.db2.gz RHQFPLYSCLDHOQ-UWVGGRQHSA-N 0 3 282.344 -1.456 20 0 CAADHN C[C@@H]([NH2+][C@@H](CNC(=O)Cc1nnc[n-]1)C1CC1)C(N)=O ZINC001418006022 890184559 /nfs/dbraw/zinc/18/45/59/890184559.db2.gz UMZBDBWJIHVGIJ-APPZFPTMSA-N 0 3 280.332 -1.295 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCN2CCCC2=O)C1 ZINC001418045149 890184992 /nfs/dbraw/zinc/18/49/92/890184992.db2.gz UVMOKHJFYZLNLW-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001418008452 890185347 /nfs/dbraw/zinc/18/53/47/890185347.db2.gz FTTSEQWTRMQCER-WDEREUQCSA-N 0 3 296.371 -1.162 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)n1 ZINC001418042931 890185570 /nfs/dbraw/zinc/18/55/70/890185570.db2.gz STVCGOXYSYOAJL-ZETCQYMHSA-N 0 3 295.303 -2.186 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](NCC(N)=O)C2CC2)n1 ZINC001417982361 890185804 /nfs/dbraw/zinc/18/58/04/890185804.db2.gz XWQUDRPOOHGVDD-SECBINFHSA-N 0 3 280.332 -1.119 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)c1nnn(C)n1)C1CC1)C(N)=O ZINC001417992505 890186067 /nfs/dbraw/zinc/18/60/67/890186067.db2.gz VGMAVVGIWQPRPO-XPUUQOCRSA-N 0 3 281.320 -1.818 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001418043396 890186218 /nfs/dbraw/zinc/18/62/18/890186218.db2.gz HXJDHDMDRXVLHJ-GARJFASQSA-N 0 3 296.371 -1.068 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H](NCC(N)=O)C1 ZINC001418075801 890188670 /nfs/dbraw/zinc/18/86/70/890188670.db2.gz LSUDWFRXUXEEIN-KYZUINATSA-N 0 3 291.373 -1.468 20 0 CAADHN CS(=O)(=O)CCCC(=O)N[C@H]1C[C@@H](NCC(N)=O)C1 ZINC001418110820 890190111 /nfs/dbraw/zinc/19/01/11/890190111.db2.gz WCZKCKNWZIJWMC-DTORHVGOSA-N 0 3 291.373 -1.467 20 0 CAADHN C[C@H](C(=O)N[C@@H]1C[C@H](N[C@@H](C)C(N)=O)C1)S(C)(=O)=O ZINC001418098915 890190514 /nfs/dbraw/zinc/19/05/14/890190514.db2.gz VWVZTYDPXKGZCP-UYXSQOIJSA-N 0 3 291.373 -1.470 20 0 CAADHN CCN(CC)C(=O)CN[C@H](C)CNC(=O)Cn1cnnn1 ZINC001418190723 890192987 /nfs/dbraw/zinc/19/29/87/890192987.db2.gz BBCBABZPEONNIO-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)NCC(=O)NC1CC1 ZINC001418200771 890195600 /nfs/dbraw/zinc/19/56/00/890195600.db2.gz JMWYJJUVYLWUFK-VHSXEESVSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CNC(=O)[C@@H](C)n1cccn1)NCC(=O)NC(N)=O ZINC001418194311 890195684 /nfs/dbraw/zinc/19/56/84/890195684.db2.gz KMNBXFLHBTYZCK-RKDXNWHRSA-N 0 3 296.331 -1.267 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)NCC1CC1 ZINC001418216522 890195818 /nfs/dbraw/zinc/19/58/18/890195818.db2.gz CHRGYQDDGKCMCJ-WCBMZHEXSA-N 0 3 298.343 -1.285 20 0 CAADHN C[C@@H](CNC(=O)c1nccnc1N)N[C@H]1CCN(C)C1=O ZINC001418214814 890195850 /nfs/dbraw/zinc/19/58/50/890195850.db2.gz PBILTTCLXARBIE-IUCAKERBSA-N 0 3 292.343 -1.003 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001418202559 890195876 /nfs/dbraw/zinc/19/58/76/890195876.db2.gz OIHITPZXXKRSBE-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CNC(=O)c1cccnc1)NCC(=O)NC(N)=O ZINC001418201395 890196160 /nfs/dbraw/zinc/19/61/60/890196160.db2.gz ZEHBYMCTYAOQBY-MRVPVSSYSA-N 0 3 279.300 -1.016 20 0 CAADHN CCO[C@H](C)C(=O)NC[C@@H](C)NCC(=O)NC(=O)NC ZINC001418191753 890196252 /nfs/dbraw/zinc/19/62/52/890196252.db2.gz BCJABHZUTFZFQC-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)N[C@H]1CCN(C)C1=O ZINC001418196878 890196391 /nfs/dbraw/zinc/19/63/91/890196391.db2.gz SKTAGVICHDNIGG-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001418211809 890196594 /nfs/dbraw/zinc/19/65/94/890196594.db2.gz TUIWVQULIWFHRU-HTQZYQBOSA-N 0 3 272.305 -1.675 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)no1 ZINC001418195817 890196526 /nfs/dbraw/zinc/19/65/26/890196526.db2.gz PKNMIYSTSJVVCD-ZCFIWIBFSA-N 0 3 283.288 -1.114 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001418202555 890196635 /nfs/dbraw/zinc/19/66/35/890196635.db2.gz OIHITPZXXKRSBE-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN Cc1ncncc1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001418208521 890196990 /nfs/dbraw/zinc/19/69/90/890196990.db2.gz NUHYOQIYSVUHMF-ZETCQYMHSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1CCN(C)C1=O)NCC(N)=O ZINC001418236173 890198791 /nfs/dbraw/zinc/19/87/91/890198791.db2.gz LJQKWCACDWYATA-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CNC(=O)COCc1nccn1C)N[C@@H](C)C(N)=O ZINC001418240185 890199050 /nfs/dbraw/zinc/19/90/50/890199050.db2.gz YDDFMHGXVJMMRR-ZJUUUORDSA-N 0 3 297.359 -1.095 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)C1CN(C(C)=O)C1)C(N)=O ZINC001418220644 890199042 /nfs/dbraw/zinc/19/90/42/890199042.db2.gz ZKWTXVFHIIFQOZ-GZMMTYOYSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H](CNC(=O)CCS(C)(=O)=O)N[C@H](C)C(N)=O ZINC001418241142 890199246 /nfs/dbraw/zinc/19/92/46/890199246.db2.gz YBIDZMUYOQCXTN-HTQZYQBOSA-N 0 3 279.362 -1.611 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001418219493 890199421 /nfs/dbraw/zinc/19/94/21/890199421.db2.gz SLHKULFWZRMCIP-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001418227539 890199506 /nfs/dbraw/zinc/19/95/06/890199506.db2.gz NUMPCFKYBPODAR-SSDOTTSWSA-N 0 3 297.319 -2.021 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)C1CN(C(C)=O)C1)C(N)=O ZINC001418220646 890199600 /nfs/dbraw/zinc/19/96/00/890199600.db2.gz ZKWTXVFHIIFQOZ-KCJUWKMLSA-N 0 3 284.360 -1.177 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@@H](C)NCC(N)=O)cn1C ZINC001418235859 890199637 /nfs/dbraw/zinc/19/96/37/890199637.db2.gz FDKHUBIVHLBHHS-MRVPVSSYSA-N 0 3 280.328 -1.113 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@@H](C)NCC(=O)NC ZINC001418223467 890199869 /nfs/dbraw/zinc/19/98/69/890199869.db2.gz QVOREMAPGLABKK-BDAKNGLRSA-N 0 3 272.349 -1.259 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001418219490 890200367 /nfs/dbraw/zinc/20/03/67/890200367.db2.gz SLHKULFWZRMCIP-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)C1CN(C(C)=O)C1)C(N)=O ZINC001418220648 890201032 /nfs/dbraw/zinc/20/10/32/890201032.db2.gz ZKWTXVFHIIFQOZ-KWQFWETISA-N 0 3 284.360 -1.177 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001418265164 890201671 /nfs/dbraw/zinc/20/16/71/890201671.db2.gz WQHAYCYQKSHZPJ-VHSXEESVSA-N 0 3 299.375 -2.224 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)NCCF ZINC001418263142 890201734 /nfs/dbraw/zinc/20/17/34/890201734.db2.gz MWSCKZGYVFMPRM-YUMQZZPRSA-N 0 3 295.336 -2.037 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCNC1=O)N[C@@H]1CCNC1=O ZINC001418242455 890201767 /nfs/dbraw/zinc/20/17/67/890201767.db2.gz IKEFLKJCJUZFOA-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@H](CNC(=O)c1cn2c(n1)COCC2)NCC(N)=O ZINC001418242206 890201801 /nfs/dbraw/zinc/20/18/01/890201801.db2.gz GGUHUSQHNZHUAG-MRVPVSSYSA-N 0 3 281.316 -1.394 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001418261196 890201878 /nfs/dbraw/zinc/20/18/78/890201878.db2.gz AJHDYCPEZLWCHJ-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001418256388 890202080 /nfs/dbraw/zinc/20/20/80/890202080.db2.gz ZIHMLNXDUVOUCZ-IUCAKERBSA-N 0 3 298.347 -2.189 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cn(C)nc1OC ZINC001418265594 890202155 /nfs/dbraw/zinc/20/21/55/890202155.db2.gz XFYAVMLMQMCJOG-QMMMGPOBSA-N 0 3 283.332 -1.117 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001418256386 890202393 /nfs/dbraw/zinc/20/23/93/890202393.db2.gz ZIHMLNXDUVOUCZ-BDAKNGLRSA-N 0 3 298.347 -2.189 20 0 CAADHN Cc1nnccc1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001418248911 890202508 /nfs/dbraw/zinc/20/25/08/890202508.db2.gz OCDZLBQSXRIYCJ-ZETCQYMHSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)NCC(=O)N(C)C ZINC001418245900 890202819 /nfs/dbraw/zinc/20/28/19/890202819.db2.gz DPUJZPGPTVSDNW-SECBINFHSA-N 0 3 298.347 -2.236 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCc1cncn1C ZINC001418263546 890203092 /nfs/dbraw/zinc/20/30/92/890203092.db2.gz HUWINYLFJCWAMW-WCBMZHEXSA-N 0 3 280.332 -1.304 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001418265169 890203125 /nfs/dbraw/zinc/20/31/25/890203125.db2.gz WQHAYCYQKSHZPJ-ZJUUUORDSA-N 0 3 299.375 -2.224 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001418265149 890203160 /nfs/dbraw/zinc/20/31/60/890203160.db2.gz WQHAYCYQKSHZPJ-NXEZZACHSA-N 0 3 299.375 -2.224 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N[C@@H]1CCCNC1=O ZINC001418273495 890203498 /nfs/dbraw/zinc/20/34/98/890203498.db2.gz YOBGHKUDGWQCEA-JGVFFNPUSA-N 0 3 281.320 -1.803 20 0 CAADHN COc1c[nH]c(C(=O)NC[C@@H](C)NCC(N)=O)cc1=O ZINC001418258607 890203622 /nfs/dbraw/zinc/20/36/22/890203622.db2.gz MZRKDPHTNBQTFJ-SSDOTTSWSA-N 0 3 282.300 -1.423 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN1CCCNC1=O ZINC001418241950 890203875 /nfs/dbraw/zinc/20/38/75/890203875.db2.gz FPTRUJGETSQNPX-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N1CCCC1 ZINC001418262583 890204305 /nfs/dbraw/zinc/20/43/05/890204305.db2.gz GHEIMQASKNQKFV-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@@H]1CCCNC1=O ZINC001418273478 890205048 /nfs/dbraw/zinc/20/50/48/890205048.db2.gz YOBGHKUDGWQCEA-HTQZYQBOSA-N 0 3 281.320 -1.803 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)N[C@H]1CCNC1=O ZINC001418267041 890205487 /nfs/dbraw/zinc/20/54/87/890205487.db2.gz KRSJORDFUTVOQX-SFYZADRCSA-N 0 3 281.316 -1.278 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cc1cnoc1)C(=O)NC(N)=O ZINC001418273064 890205601 /nfs/dbraw/zinc/20/56/01/890205601.db2.gz SQYRFPMPCWJWDS-JGVFFNPUSA-N 0 3 297.315 -1.105 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001418244021 890205787 /nfs/dbraw/zinc/20/57/87/890205787.db2.gz RASOVTROVOGCPN-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNC(=O)Cc1cnoc1)N[C@H](C)C(=O)NC(N)=O ZINC001418273062 890205854 /nfs/dbraw/zinc/20/58/54/890205854.db2.gz SQYRFPMPCWJWDS-HTQZYQBOSA-N 0 3 297.315 -1.105 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001418248024 890205921 /nfs/dbraw/zinc/20/59/21/890205921.db2.gz RCZNATOBKILQKO-IUCAKERBSA-N 0 3 295.343 -1.248 20 0 CAADHN CCCN1C[C@H](C(=O)NC[C@H](C)NCC(N)=O)CC1=O ZINC001418285245 890206373 /nfs/dbraw/zinc/20/63/73/890206373.db2.gz SPJDXLTXOYQJMN-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)Cn1ccnc1 ZINC001418324416 890206441 /nfs/dbraw/zinc/20/64/41/890206441.db2.gz ZVBMCMLWYYZOEG-VIFPVBQESA-N 0 3 296.331 -1.567 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001418327277 890206551 /nfs/dbraw/zinc/20/65/51/890206551.db2.gz LZRANEOCCINWEK-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001418278111 890206776 /nfs/dbraw/zinc/20/67/76/890206776.db2.gz NNQFGQDHORQZGQ-YIZRAAEISA-N 0 3 272.305 -2.707 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001418291787 890206998 /nfs/dbraw/zinc/20/69/98/890206998.db2.gz NXKHVRZVYDBNKH-PSASIEDQSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@H](CNC(=O)CCCC(N)=O)NCC(=O)N1CCC1 ZINC001418322583 890207277 /nfs/dbraw/zinc/20/72/77/890207277.db2.gz POVCYECNHWLGKO-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCc2n[nH]c(C)n2)C1 ZINC001418324676 890207433 /nfs/dbraw/zinc/20/74/33/890207433.db2.gz JVEGMVYOGRXSKJ-JTQLQIEISA-N 0 3 280.332 -1.060 20 0 CAADHN C[C@H](CNC(=O)CCS(=O)(=O)N(C)C)NCC(N)=O ZINC001418315058 890207936 /nfs/dbraw/zinc/20/79/36/890207936.db2.gz WBMZKBQDCGRHJU-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@@H](CNC(=O)CCn1cnnn1)N[C@@H]1CCN(C)C1=O ZINC001418292517 890208011 /nfs/dbraw/zinc/20/80/11/890208011.db2.gz VVUUIVSAIXRTJY-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC(=O)N1C ZINC001418275769 890208271 /nfs/dbraw/zinc/20/82/71/890208271.db2.gz YYJQUKPJOPJMDS-RKDXNWHRSA-N 0 3 270.333 -1.553 20 0 CAADHN CCN1CC[C@@H](N[C@@H](C)CNC(=O)CCNC(N)=O)C1=O ZINC001418325374 890208393 /nfs/dbraw/zinc/20/83/93/890208393.db2.gz ZXKCRQJHJMIRBN-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN Cc1nonc1CC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001418307347 890208460 /nfs/dbraw/zinc/20/84/60/890208460.db2.gz VPMMZFTWJIJGHQ-CBAPKCEASA-N 0 3 281.316 -1.097 20 0 CAADHN C[C@H](CNC(=O)CS(=O)(=O)N(C)C)NCC(N)=O ZINC001418310697 890208500 /nfs/dbraw/zinc/20/85/00/890208500.db2.gz WJZYSUPIWOBWIR-SSDOTTSWSA-N 0 3 280.350 -2.543 20 0 CAADHN C[C@@H](CNC(=O)CCCC(N)=O)N[C@H]1CCN(C)C1=O ZINC001418322274 890208830 /nfs/dbraw/zinc/20/88/30/890208830.db2.gz OFGSWVMWSXMEJD-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CNC(=O)c1cnon1)NCC(=O)N1CCOCC1 ZINC001418294788 890208987 /nfs/dbraw/zinc/20/89/87/890208987.db2.gz NNNUOGFVASGJJF-VIFPVBQESA-N 0 3 297.315 -1.364 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001418319755 890209088 /nfs/dbraw/zinc/20/90/88/890209088.db2.gz HWVATEOFDRYKCN-JTQLQIEISA-N 0 3 296.375 -1.022 20 0 CAADHN C[C@@H](CNC(=O)CCCC(N)=O)NCC(=O)N1CCC1 ZINC001418322582 890209239 /nfs/dbraw/zinc/20/92/39/890209239.db2.gz POVCYECNHWLGKO-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CCCN1C[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)CC1=O ZINC001418285246 890209302 /nfs/dbraw/zinc/20/93/02/890209302.db2.gz SPJDXLTXOYQJMN-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)NCC(N)=O ZINC001418285961 890209382 /nfs/dbraw/zinc/20/93/82/890209382.db2.gz SPXQBRZEKVMZAL-SSDOTTSWSA-N 0 3 297.315 -2.723 20 0 CAADHN CCN1CC[C@H](N[C@H](C)CNC(=O)CCNC(N)=O)C1=O ZINC001418325375 890209883 /nfs/dbraw/zinc/20/98/83/890209883.db2.gz ZXKCRQJHJMIRBN-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CS(=O)(=O)CC ZINC001418310620 890210697 /nfs/dbraw/zinc/21/06/97/890210697.db2.gz BFMJTFMQFRDABC-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN CCOCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001418324578 890210737 /nfs/dbraw/zinc/21/07/37/890210737.db2.gz GZNCTWJSKRGHCC-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H](CNC(=O)CCn1cnnn1)N[C@H]1CCN(C)C1=O ZINC001418292518 890210866 /nfs/dbraw/zinc/21/08/66/890210866.db2.gz VVUUIVSAIXRTJY-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001418330288 890211889 /nfs/dbraw/zinc/21/18/89/890211889.db2.gz KWCRXLYRVQCSOY-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001418334529 890212206 /nfs/dbraw/zinc/21/22/06/890212206.db2.gz FHAXZAJUWBGETA-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001418330822 890212630 /nfs/dbraw/zinc/21/26/30/890212630.db2.gz VFTYMOWGOQQMBW-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001418327782 890212767 /nfs/dbraw/zinc/21/27/67/890212767.db2.gz ZUXSLYMMGOYDCA-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1cnnn1C ZINC001418455821 890222045 /nfs/dbraw/zinc/22/20/45/890222045.db2.gz PUAHNIGVQKFTFF-SECBINFHSA-N 0 3 271.321 -1.516 20 0 CAADHN CCn1ncc(C(=O)NCCN(C)C[C@H](O)COC)n1 ZINC001418456326 890222497 /nfs/dbraw/zinc/22/24/97/890222497.db2.gz RPYYSKKHEGEKCW-JTQLQIEISA-N 0 3 285.348 -1.033 20 0 CAADHN CN(CCCF)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001418462260 890223049 /nfs/dbraw/zinc/22/30/49/890223049.db2.gz SZTOWHMQVLJPIO-UHFFFAOYSA-N 0 3 286.311 -1.215 20 0 CAADHN CN(CCCO)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001418483239 890224789 /nfs/dbraw/zinc/22/47/89/890224789.db2.gz SLMHDRFCDAWMHM-NSHDSACASA-N 0 3 295.343 -1.204 20 0 CAADHN CNC(=O)[C@H](C)N(C)CCNC(=O)CCc1cnn[nH]1 ZINC001418495259 890229431 /nfs/dbraw/zinc/22/94/31/890229431.db2.gz LAOBZCXEVCZHEG-VIFPVBQESA-N 0 3 282.348 -1.080 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001418504050 890231094 /nfs/dbraw/zinc/23/10/94/890231094.db2.gz PEEKIXFUIYORGC-VIFPVBQESA-N 0 3 298.343 -1.874 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCN(C)C[C@@H](C)O)C(N)=O ZINC001418503944 890232599 /nfs/dbraw/zinc/23/25/99/890232599.db2.gz URDOGQDPMUBZKH-SCZZXKLOSA-N 0 3 288.348 -2.205 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1cnn(C)n1 ZINC001418501185 890234851 /nfs/dbraw/zinc/23/48/51/890234851.db2.gz HWRBJFMJNYACJG-VIFPVBQESA-N 0 3 271.321 -1.516 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCN(C)C[C@H](C)O)C(N)=O ZINC001418503991 890235073 /nfs/dbraw/zinc/23/50/73/890235073.db2.gz URDOGQDPMUBZKH-WPRPVWTQSA-N 0 3 288.348 -2.205 20 0 CAADHN CCN(CCNC(=O)[C@H]1CCC(=O)N1)C[C@@H](O)COC ZINC001418539643 890239703 /nfs/dbraw/zinc/23/97/03/890239703.db2.gz KIXWEHNVAMZOSV-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001418560601 890239887 /nfs/dbraw/zinc/23/98/87/890239887.db2.gz ZUFDCDSIESPMPI-NSHDSACASA-N 0 3 295.343 -1.204 20 0 CAADHN CCCN(C)CC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001418594028 890242051 /nfs/dbraw/zinc/24/20/51/890242051.db2.gz SYHZYHUPJJXEGO-RKDXNWHRSA-N 0 3 270.333 -1.627 20 0 CAADHN CN(CCO)CCN(C)C(=O)C1=C2CCCN=C2NN1 ZINC001418620341 890247448 /nfs/dbraw/zinc/24/74/48/890247448.db2.gz ONOJJMUUPYAFDS-UHFFFAOYSA-N 0 3 281.360 -1.077 20 0 CAADHN O=C(Cc1nc[nH]n1)NC[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001418683128 890252029 /nfs/dbraw/zinc/25/20/29/890252029.db2.gz NYDHZKSWIFKRNY-NXEZZACHSA-N 0 3 292.343 -1.326 20 0 CAADHN CCC(=O)NC[C@H]1C[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001418658066 890253144 /nfs/dbraw/zinc/25/31/44/890253144.db2.gz OSJONVNJSULFGW-XYPYZODXSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001418806662 890260207 /nfs/dbraw/zinc/26/02/07/890260207.db2.gz DGUDICGKSZALPR-VHSXEESVSA-N 0 3 282.344 -1.456 20 0 CAADHN COCCN(CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC001418793219 890260304 /nfs/dbraw/zinc/26/03/04/890260304.db2.gz QERJFBBTKZYDPU-JTQLQIEISA-N 0 3 298.343 -1.189 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)C[C@@H]1CCNC1=O ZINC001418804627 890260896 /nfs/dbraw/zinc/26/08/96/890260896.db2.gz BRDSFLXSHDUDCG-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1COCCO1 ZINC001418805584 890261066 /nfs/dbraw/zinc/26/10/66/890261066.db2.gz FBNLIWQTBKWNFG-UWVGGRQHSA-N 0 3 271.317 -1.662 20 0 CAADHN NC(=O)Cn1cc(C(=O)NCCN(CCO)C2CC2)nn1 ZINC001418798482 890261386 /nfs/dbraw/zinc/26/13/86/890261386.db2.gz HAIMRLPDNLBFCR-UHFFFAOYSA-N 0 3 296.331 -2.050 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001418810800 890261996 /nfs/dbraw/zinc/26/19/96/890261996.db2.gz LVHKLFIWQMKLSN-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001418806088 890262194 /nfs/dbraw/zinc/26/21/94/890262194.db2.gz GSEAIHBQTWVZLB-SECBINFHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001418809012 890262254 /nfs/dbraw/zinc/26/22/54/890262254.db2.gz GXHMPLMIIHXORC-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001418806393 890262286 /nfs/dbraw/zinc/26/22/86/890262286.db2.gz BPCKIFFPPOIXKI-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CO[C@H](C)C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001418818000 890266311 /nfs/dbraw/zinc/26/63/11/890266311.db2.gz TYXYQXYRRQQRCR-JGVFFNPUSA-N 0 3 274.321 -1.347 20 0 CAADHN Cc1nn(CC(=O)NCCN(CCO)C2CC2)c(=O)n1C ZINC001418796361 890262687 /nfs/dbraw/zinc/26/26/87/890262687.db2.gz XZRNXXHXTPAIJM-UHFFFAOYSA-N 0 3 297.359 -1.537 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CN1CCNC(=O)C1 ZINC001418832253 890264107 /nfs/dbraw/zinc/26/41/07/890264107.db2.gz VSSJCULNVFJXNS-SNVBAGLBSA-N 0 3 299.375 -2.399 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cnn(C)n1)C(=O)NC(N)=O ZINC001418832834 890264153 /nfs/dbraw/zinc/26/41/53/890264153.db2.gz PCETVFVFIHZBMK-ZETCQYMHSA-N 0 3 297.319 -1.940 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001418843250 890264409 /nfs/dbraw/zinc/26/44/09/890264409.db2.gz YCSPQFOCMRYKFQ-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN COc1nn(C)cc1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001418829751 890264439 /nfs/dbraw/zinc/26/44/39/890264439.db2.gz SBSOZDZUHSPWJV-SNVBAGLBSA-N 0 3 295.343 -1.021 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)Cn1ncn(C)c1=O ZINC001418821886 890264771 /nfs/dbraw/zinc/26/47/71/890264771.db2.gz NBEVHJYXQZNGEH-VIFPVBQESA-N 0 3 298.347 -2.236 20 0 CAADHN COC[C@@H](C)C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001418819831 890265118 /nfs/dbraw/zinc/26/51/18/890265118.db2.gz ZWJYHMXDWYTMEA-RKDXNWHRSA-N 0 3 288.348 -1.100 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)Cn1ncn(C)c1=O ZINC001418821884 890265556 /nfs/dbraw/zinc/26/55/56/890265556.db2.gz NBEVHJYXQZNGEH-SECBINFHSA-N 0 3 298.347 -2.236 20 0 CAADHN CC[C@H](NCCN(C)C(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001418823393 890265229 /nfs/dbraw/zinc/26/52/29/890265229.db2.gz PFWVOTXOVDNFCB-VIFPVBQESA-N 0 3 298.347 -2.106 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1cncn1)C(=O)NC1CC1 ZINC001418831280 890265259 /nfs/dbraw/zinc/26/52/59/890265259.db2.gz PLXKKKZFGKSMLV-SNVBAGLBSA-N 0 3 294.359 -1.007 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001418823389 890265335 /nfs/dbraw/zinc/26/53/35/890265335.db2.gz PFWVOTXOVDNFCB-SECBINFHSA-N 0 3 298.347 -2.106 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCC(=O)NC1)C(N)=O ZINC001418828087 890265446 /nfs/dbraw/zinc/26/54/46/890265446.db2.gz WQUZIQLBDAGCPZ-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001418825426 890265475 /nfs/dbraw/zinc/26/54/75/890265475.db2.gz HUIJYDKKMMIQAV-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001418823558 890265717 /nfs/dbraw/zinc/26/57/17/890265717.db2.gz DMERSJSIHWZERZ-SECBINFHSA-N 0 3 293.389 -1.269 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CCS(C)(=O)=O ZINC001418824537 890265888 /nfs/dbraw/zinc/26/58/88/890265888.db2.gz QMNQHBDFDGFMFJ-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001418834967 890266019 /nfs/dbraw/zinc/26/60/19/890266019.db2.gz SFNBMLBEZJUUIE-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)c1cn(C)nn1 ZINC001418815464 890266519 /nfs/dbraw/zinc/26/65/19/890266519.db2.gz NVVFYFILCYBUQK-SECBINFHSA-N 0 3 280.332 -1.293 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CN1CCNC(=O)C1 ZINC001418832246 890266902 /nfs/dbraw/zinc/26/69/02/890266902.db2.gz VSSJCULNVFJXNS-JTQLQIEISA-N 0 3 299.375 -2.399 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)c1cn[nH]n1 ZINC001418814304 890266930 /nfs/dbraw/zinc/26/69/30/890266930.db2.gz SONNXMHLXVWNBK-SSDOTTSWSA-N 0 3 297.319 -1.690 20 0 CAADHN COC[C@H](C)C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001418819814 890266972 /nfs/dbraw/zinc/26/69/72/890266972.db2.gz ZWJYHMXDWYTMEA-DTWKUNHWSA-N 0 3 288.348 -1.100 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCNS(C)(=O)=O)C(N)=O ZINC001418813086 890267238 /nfs/dbraw/zinc/26/72/38/890267238.db2.gz TZTODCOANQYEHY-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCC(=O)NC1)C(N)=O ZINC001418828102 890267501 /nfs/dbraw/zinc/26/75/01/890267501.db2.gz WQUZIQLBDAGCPZ-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1nc2ncccn2n1)C(N)=O ZINC001418837194 890267579 /nfs/dbraw/zinc/26/75/79/890267579.db2.gz ZIHXTIYKRKQUBK-MRVPVSSYSA-N 0 3 291.315 -1.340 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cnn(C)c1N ZINC001418811867 890267895 /nfs/dbraw/zinc/26/78/95/890267895.db2.gz ZVWPFFHLHQFHNH-VIFPVBQESA-N 0 3 280.332 -1.448 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@H](C)C(=O)N(C)C ZINC001418813952 890267997 /nfs/dbraw/zinc/26/79/97/890267997.db2.gz WTIYLLMJMPCZAJ-SECBINFHSA-N 0 3 287.364 -1.560 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001418940191 890268702 /nfs/dbraw/zinc/26/87/02/890268702.db2.gz HFHBVPXFCUEQKT-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001418876599 890268734 /nfs/dbraw/zinc/26/87/34/890268734.db2.gz ITINQELQBFTHSX-JTQLQIEISA-N 0 3 295.347 -1.753 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)Cn2cncn2)C1 ZINC001418905384 890269120 /nfs/dbraw/zinc/26/91/20/890269120.db2.gz HNIQQUWTQARMMJ-LLVKDONJSA-N 0 3 294.359 -1.148 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](CCC(=O)NCCN2CC[C@@H](O)C2)O1 ZINC001418870915 890269511 /nfs/dbraw/zinc/26/95/11/890269511.db2.gz HOKVDTVEGWVLGX-UTUOFQBUSA-N 0 3 299.371 -1.018 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001418895582 890270275 /nfs/dbraw/zinc/27/02/75/890270275.db2.gz ADDOXYGYLMUXOY-IUCAKERBSA-N 0 3 295.347 -1.474 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)Cn2cncn2)C1 ZINC001418905386 890271553 /nfs/dbraw/zinc/27/15/53/890271553.db2.gz HNIQQUWTQARMMJ-NSHDSACASA-N 0 3 294.359 -1.148 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001418932414 890272714 /nfs/dbraw/zinc/27/27/14/890272714.db2.gz GAEDGBUEZFPYLB-MNOVXSKESA-N 0 3 294.359 -1.068 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001419004167 890284833 /nfs/dbraw/zinc/28/48/33/890284833.db2.gz BXXBKRMZXGVEPN-CABZTGNLSA-N 0 3 287.360 -1.434 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)CN(C)C(C)=O)C1 ZINC001419010932 890286093 /nfs/dbraw/zinc/28/60/93/890286093.db2.gz WXHFQZZFWNLFIM-LBPRGKRZSA-N 0 3 287.360 -1.480 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001419017337 890289706 /nfs/dbraw/zinc/28/97/06/890289706.db2.gz OZXHKBNRIJWWIJ-NWDGAFQWSA-N 0 3 299.371 -1.432 20 0 CAADHN COC[C@H](O)C[NH+]1CC(CNC(=O)c2[n-]nnc2C)C1 ZINC001419024113 890289863 /nfs/dbraw/zinc/28/98/63/890289863.db2.gz PKAMMHTWNQWKII-SNVBAGLBSA-N 0 3 283.332 -1.218 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001419019651 890290381 /nfs/dbraw/zinc/29/03/81/890290381.db2.gz GLTGEXZYBYSSKE-LLVKDONJSA-N 0 3 297.359 -1.289 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CN2CCCNC2=O)C1 ZINC001419027436 890291341 /nfs/dbraw/zinc/29/13/41/890291341.db2.gz ZLTSCWQTPNCZLS-SNVBAGLBSA-N 0 3 284.360 -1.170 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@H]1CCN(C[C@@H](C)O)C1 ZINC001419060039 890296019 /nfs/dbraw/zinc/29/60/19/890296019.db2.gz MJTTVBHATCDIST-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CCNC(N)=O ZINC001419074467 890298335 /nfs/dbraw/zinc/29/83/35/890298335.db2.gz BQBXQPDVVBGLOB-VHSXEESVSA-N 0 3 299.375 -1.111 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001419074356 890298478 /nfs/dbraw/zinc/29/84/78/890298478.db2.gz BQNLTISIXQXLJT-VHSXEESVSA-N 0 3 295.347 -1.482 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CCNC(N)=O ZINC001419074469 890298969 /nfs/dbraw/zinc/29/89/69/890298969.db2.gz BQBXQPDVVBGLOB-ZJUUUORDSA-N 0 3 299.375 -1.111 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CCNC(N)=O ZINC001419074466 890300464 /nfs/dbraw/zinc/30/04/64/890300464.db2.gz BQBXQPDVVBGLOB-UWVGGRQHSA-N 0 3 299.375 -1.111 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001419074358 890300837 /nfs/dbraw/zinc/30/08/37/890300837.db2.gz BQNLTISIXQXLJT-ZJUUUORDSA-N 0 3 295.347 -1.482 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001419080809 890301247 /nfs/dbraw/zinc/30/12/47/890301247.db2.gz NZPHITNNQIKVHN-IUCAKERBSA-N 0 3 295.347 -1.332 20 0 CAADHN CCN(C(=O)CCn1cnnn1)[C@H]1CCN(CCO)C1 ZINC001419148688 890304615 /nfs/dbraw/zinc/30/46/15/890304615.db2.gz BPACIVIKZKDHAT-NSHDSACASA-N 0 3 282.348 -1.022 20 0 CAADHN CCCN1CCN(CCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001419140593 890304944 /nfs/dbraw/zinc/30/49/44/890304944.db2.gz QIKLGUAXKYNTPM-LLVKDONJSA-N 0 3 283.376 -1.188 20 0 CAADHN CN(CC(=O)N(C)[C@@H]1CCN(CCO)C1)S(C)(=O)=O ZINC001419115549 890306136 /nfs/dbraw/zinc/30/61/36/890306136.db2.gz OMEZEHFBBCLJQZ-SNVBAGLBSA-N 0 3 293.389 -1.597 20 0 CAADHN Cc1cncn1CC(=O)NCCN1CCN(CCO)CC1 ZINC001419127189 890306869 /nfs/dbraw/zinc/30/68/69/890306869.db2.gz WJHHUFMTVDZHHW-UHFFFAOYSA-N 0 3 295.387 -1.082 20 0 CAADHN CC[C@@H](CNC(=O)CNC(C)=O)NCC(=O)NC1CC1 ZINC001419149572 890306903 /nfs/dbraw/zinc/30/69/03/890306903.db2.gz CGLIGVFYTLPATN-JTQLQIEISA-N 0 3 284.360 -1.115 20 0 CAADHN O=C(CCc1cnn[nH]1)N[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001419174579 890308484 /nfs/dbraw/zinc/30/84/84/890308484.db2.gz VXTPIZKNVHSWFX-MNOVXSKESA-N 0 3 292.343 -1.184 20 0 CAADHN CC[C@H](CNC(=O)c1ccon1)NCC(=O)NC(N)=O ZINC001419172071 890309106 /nfs/dbraw/zinc/30/91/06/890309106.db2.gz INFOCFNPTVMGKG-SSDOTTSWSA-N 0 3 283.288 -1.033 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](N[C@H]1CCN(C)C1=O)C1CC1 ZINC001419207630 890309901 /nfs/dbraw/zinc/30/99/01/890309901.db2.gz FFWWXNQNISXOPN-NWDGAFQWSA-N 0 3 296.371 -1.162 20 0 CAADHN CC[C@@H](CNC(=O)c1ccon1)NCC(=O)NC(N)=O ZINC001419172076 890310513 /nfs/dbraw/zinc/31/05/13/890310513.db2.gz INFOCFNPTVMGKG-ZETCQYMHSA-N 0 3 283.288 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)C1CN(C(C)=O)C1)N[C@H](C)C(N)=O ZINC001419185507 890311080 /nfs/dbraw/zinc/31/10/80/890311080.db2.gz QJFVGVFMOFHSMR-KCJUWKMLSA-N 0 3 284.360 -1.177 20 0 CAADHN CC[C@@H](CNC(=O)CN(C)C(=O)C1CC1)NCC(N)=O ZINC001419199945 890312014 /nfs/dbraw/zinc/31/20/14/890312014.db2.gz NZIGSPMCTMOYBG-JTQLQIEISA-N 0 3 284.360 -1.176 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N[C@@H]1CCN(CCO)C1 ZINC001419178826 890312998 /nfs/dbraw/zinc/31/29/98/890312998.db2.gz SOXLRDGQHJWQRK-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)NCC(N)=O ZINC001419278596 890313810 /nfs/dbraw/zinc/31/38/10/890313810.db2.gz FEWDOFUQLJYCML-YUMQZZPRSA-N 0 3 292.361 -2.352 20 0 CAADHN CC[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)NCC(=O)NC ZINC001419261243 890315708 /nfs/dbraw/zinc/31/57/08/890315708.db2.gz KHVYRXJGWTTZTA-SECBINFHSA-N 0 3 295.343 -1.042 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001419239306 890316298 /nfs/dbraw/zinc/31/62/98/890316298.db2.gz LMFBRRUXKURLNN-ZJUUUORDSA-N 0 3 282.344 -1.518 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001419246533 890316469 /nfs/dbraw/zinc/31/64/69/890316469.db2.gz RCPFLTOMJLYCNT-SECBINFHSA-N 0 3 285.348 -1.725 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CN(CC)CCO1)NCC(N)=O ZINC001419267741 890317308 /nfs/dbraw/zinc/31/73/08/890317308.db2.gz HVXATAUMNYJCQO-GHMZBOCLSA-N 0 3 286.376 -1.323 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001419242252 890317506 /nfs/dbraw/zinc/31/75/06/890317506.db2.gz HRBXEDWFEGOONJ-RYUDHWBXSA-N 0 3 298.387 -1.453 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001419251329 890317670 /nfs/dbraw/zinc/31/76/70/890317670.db2.gz POMPNNKTSJRHOC-WCBMZHEXSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)NCC(=O)NC ZINC001419261244 890317740 /nfs/dbraw/zinc/31/77/40/890317740.db2.gz KHVYRXJGWTTZTA-VIFPVBQESA-N 0 3 295.343 -1.042 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001419237072 890317829 /nfs/dbraw/zinc/31/78/29/890317829.db2.gz CADKWXDQUIFKSU-SECBINFHSA-N 0 3 270.333 -1.518 20 0 CAADHN NC(=O)CNCC1(NC(=O)CCNC(N)=O)CCCC1 ZINC001419314681 890318934 /nfs/dbraw/zinc/31/89/34/890318934.db2.gz JJMTUAAEMRELDX-UHFFFAOYSA-N 0 3 285.348 -1.451 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001419372762 890318711 /nfs/dbraw/zinc/31/87/11/890318711.db2.gz VKVABDXPQBPEDT-WYOJIJJFSA-N 0 3 296.327 -1.736 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001419361634 890319353 /nfs/dbraw/zinc/31/93/53/890319353.db2.gz KIPKTPBOTDNBNE-VHSXEESVSA-N 0 3 271.317 -1.662 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001419316464 890319499 /nfs/dbraw/zinc/31/94/99/890319499.db2.gz FIQKZNRADRRWPX-QMTHXVAHSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)NCCC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001419299004 890319528 /nfs/dbraw/zinc/31/95/28/890319528.db2.gz XPVKXTXLMFXRHB-UHFFFAOYSA-N 0 3 299.375 -1.191 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001419323174 890320013 /nfs/dbraw/zinc/32/00/13/890320013.db2.gz SBAGQSIADYTFGO-NSHDSACASA-N 0 3 291.373 -1.609 20 0 CAADHN Cn1cncc1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001419373274 890320192 /nfs/dbraw/zinc/32/01/92/890320192.db2.gz FJHHHXXLAMUOGV-QMMMGPOBSA-N 0 3 294.315 -1.581 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001419311378 890320304 /nfs/dbraw/zinc/32/03/04/890320304.db2.gz MPPSVLZQTGZXMH-UWVGGRQHSA-N 0 3 282.344 -1.505 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001419311381 890320457 /nfs/dbraw/zinc/32/04/57/890320457.db2.gz MPPSVLZQTGZXMH-VHSXEESVSA-N 0 3 282.344 -1.505 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001419376952 890320490 /nfs/dbraw/zinc/32/04/90/890320490.db2.gz UGNLTOUZWXDINH-IUCAKERBSA-N 0 3 283.332 -2.054 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001419309941 890322383 /nfs/dbraw/zinc/32/23/83/890322383.db2.gz UXPOXLXHWCDSOH-SNVBAGLBSA-N 0 3 280.332 -1.492 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](N[C@H]2CCNC2=O)C2CC2)n1 ZINC001419299681 890321900 /nfs/dbraw/zinc/32/19/00/890321900.db2.gz YDYMOSWJVAPTNC-IUCAKERBSA-N 0 3 293.331 -1.803 20 0 CAADHN Cc1c[nH]c(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)n1 ZINC001419371910 890322220 /nfs/dbraw/zinc/32/22/20/890322220.db2.gz ZLMZIDORIAMYJJ-QMMMGPOBSA-N 0 3 294.315 -1.283 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](N[C@@H]2CCNC2=O)C2CC2)n1 ZINC001419299677 890322343 /nfs/dbraw/zinc/32/23/43/890322343.db2.gz YDYMOSWJVAPTNC-BDAKNGLRSA-N 0 3 293.331 -1.803 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001419357242 890322594 /nfs/dbraw/zinc/32/25/94/890322594.db2.gz FQRYSVFSXIMOEG-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN COCC(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O ZINC001419417692 890324036 /nfs/dbraw/zinc/32/40/36/890324036.db2.gz VDKNUJCMPBPQDX-MRVPVSSYSA-N 0 3 272.305 -1.592 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CCCC(N)=O ZINC001419428984 890324141 /nfs/dbraw/zinc/32/41/41/890324141.db2.gz GFFSKHIPEWBQIN-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN Cn1cnn(CC(=O)N2CCC[C@@H]2CNCC(N)=O)c1=O ZINC001419420116 890324902 /nfs/dbraw/zinc/32/49/02/890324902.db2.gz QYEAEHYBSYYFEJ-SECBINFHSA-N 0 3 296.331 -2.352 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001419425858 890325549 /nfs/dbraw/zinc/32/55/49/890325549.db2.gz QJSVJTMLACWAFH-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001419512088 890329951 /nfs/dbraw/zinc/32/99/51/890329951.db2.gz QUNVHXPAGDDOTJ-DTORHVGOSA-N 0 3 280.332 -1.328 20 0 CAADHN CNC(=O)CCCC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001419664911 890341469 /nfs/dbraw/zinc/34/14/69/890341469.db2.gz VVRRTWNWFMKLGL-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)C[C@@H]1CCNC1=O ZINC001419602611 890336095 /nfs/dbraw/zinc/33/60/95/890336095.db2.gz VXYXDPCOEURKCC-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001419691014 890345944 /nfs/dbraw/zinc/34/59/44/890345944.db2.gz YJIDIRSMGIZCCL-ZETCQYMHSA-N 0 3 277.346 -2.047 20 0 CAADHN CNC(=O)NCCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001419606152 890336310 /nfs/dbraw/zinc/33/63/10/890336310.db2.gz QWGDRRGPGZDJLM-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001419685492 890346245 /nfs/dbraw/zinc/34/62/45/890346245.db2.gz JHYUWBLMAWONMS-ZETCQYMHSA-N 0 3 295.365 -3.038 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)C[C@@H]1CCNC1=O ZINC001419602609 890336922 /nfs/dbraw/zinc/33/69/22/890336922.db2.gz VXYXDPCOEURKCC-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)c1ncn(C)n1 ZINC001419658457 890338807 /nfs/dbraw/zinc/33/88/07/890338807.db2.gz UBZVVYKHLIPTDC-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCNS(C)(=O)=O ZINC001419676241 890338969 /nfs/dbraw/zinc/33/89/69/890338969.db2.gz HLUGDYMZXPEFCU-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN COCC(=O)NC[C@@H](C)NCCN1CCCS1(=O)=O ZINC001419671106 890339354 /nfs/dbraw/zinc/33/93/54/890339354.db2.gz FZCTYYSESSHLCP-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1cnnn1C ZINC001419647046 890339496 /nfs/dbraw/zinc/33/94/96/890339496.db2.gz BNSYLXCJUBBPNK-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cc[nH]n1 ZINC001419652667 890339739 /nfs/dbraw/zinc/33/97/39/890339739.db2.gz NBNINBKWIIZKBE-ZETCQYMHSA-N 0 3 282.304 -1.345 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001419684596 890339905 /nfs/dbraw/zinc/33/99/05/890339905.db2.gz KRYQVVPACZQAKZ-QMMMGPOBSA-N 0 3 291.373 -1.657 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001419671558 890340122 /nfs/dbraw/zinc/34/01/22/890340122.db2.gz HUOJVYCQSLGCSL-QMMMGPOBSA-N 0 3 297.363 -1.037 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001419665617 890341305 /nfs/dbraw/zinc/34/13/05/890341305.db2.gz IUICMDCGASLSHC-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN COc1cc(C(=O)N(C)[C@@H](C)CNCC(N)=O)nn1C ZINC001419684509 890341339 /nfs/dbraw/zinc/34/13/39/890341339.db2.gz JMQHUFIXMJOXGU-QMMMGPOBSA-N 0 3 283.332 -1.036 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CCNC1=O ZINC001419668542 890341781 /nfs/dbraw/zinc/34/17/81/890341781.db2.gz RREJBOWBYXBZRD-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H](C)OC ZINC001419648113 890341856 /nfs/dbraw/zinc/34/18/56/890341856.db2.gz XMQFEUJCYIROPC-RKDXNWHRSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H](C)OC ZINC001419648108 890342005 /nfs/dbraw/zinc/34/20/05/890342005.db2.gz XMQFEUJCYIROPC-DTWKUNHWSA-N 0 3 288.348 -1.087 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)COC ZINC001419672454 890342335 /nfs/dbraw/zinc/34/23/35/890342335.db2.gz LDIBPOYDIWZGIQ-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cnco1 ZINC001419694639 890342744 /nfs/dbraw/zinc/34/27/44/890342744.db2.gz XWILBRPNETXANP-ZETCQYMHSA-N 0 3 283.288 -1.080 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001419712215 890343108 /nfs/dbraw/zinc/34/31/08/890343108.db2.gz RIZCBQHNLBYWOX-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001419706917 890343140 /nfs/dbraw/zinc/34/31/40/890343140.db2.gz NAIIJWBFOUCJIL-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001419712217 890343487 /nfs/dbraw/zinc/34/34/87/890343487.db2.gz RIZCBQHNLBYWOX-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CNC(=O)CCn1cncn1)N[C@@H]1CCNC1=O ZINC001419693120 890343429 /nfs/dbraw/zinc/34/34/29/890343429.db2.gz FYKHBHLYSZBVNU-NXEZZACHSA-N 0 3 280.332 -1.349 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@H](C)CNC(=O)Cn1cnnn1 ZINC001419698182 890343700 /nfs/dbraw/zinc/34/37/00/890343700.db2.gz NGDHBIHGTICMNY-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN CCN1CC[C@@H](N[C@H](C)CNC(=O)CNC(C)=O)C1=O ZINC001419705444 890344192 /nfs/dbraw/zinc/34/41/92/890344192.db2.gz JOPUTZKXCFVRHU-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)CS(C)(=O)=O)N[C@@H]1CCN(C)C1=O ZINC001419702528 890344227 /nfs/dbraw/zinc/34/42/27/890344227.db2.gz HFLAEYZTRVITLZ-RKDXNWHRSA-N 0 3 291.373 -1.644 20 0 CAADHN C[C@@H](CNC(=O)CCn1cncn1)N[C@@H]1CCNC1=O ZINC001419693179 890345316 /nfs/dbraw/zinc/34/53/16/890345316.db2.gz FYKHBHLYSZBVNU-VHSXEESVSA-N 0 3 280.332 -1.349 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001419689099 890345364 /nfs/dbraw/zinc/34/53/64/890345364.db2.gz BXVDJDSRUOZDGU-RKDXNWHRSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001419691011 890345651 /nfs/dbraw/zinc/34/56/51/890345651.db2.gz YJIDIRSMGIZCCL-SSDOTTSWSA-N 0 3 277.346 -2.047 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001419704832 890345742 /nfs/dbraw/zinc/34/57/42/890345742.db2.gz FWKJDIPWGRCGNW-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CNC(=O)CS(C)(=O)=O)N[C@H]1CCN(C)C1=O ZINC001419702516 890345858 /nfs/dbraw/zinc/34/58/58/890345858.db2.gz HFLAEYZTRVITLZ-BDAKNGLRSA-N 0 3 291.373 -1.644 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1COCCO1 ZINC001419712224 890346129 /nfs/dbraw/zinc/34/61/29/890346129.db2.gz RIZCBQHNLBYWOX-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001419706133 890346339 /nfs/dbraw/zinc/34/63/39/890346339.db2.gz STRWLFOZYRCSPH-SECBINFHSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1)NCC(=O)N1CCC1 ZINC001419724076 890347515 /nfs/dbraw/zinc/34/75/15/890347515.db2.gz CWBOGLUPILECHX-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ccnnc1 ZINC001419712870 890348001 /nfs/dbraw/zinc/34/80/01/890348001.db2.gz MPTAOJHNMFNSIM-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1cnn(C)n1 ZINC001419746870 890348177 /nfs/dbraw/zinc/34/81/77/890348177.db2.gz LUSSSPTWKLYPMC-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ccnnc1 ZINC001419712871 890348722 /nfs/dbraw/zinc/34/87/22/890348722.db2.gz MPTAOJHNMFNSIM-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001419728798 890348789 /nfs/dbraw/zinc/34/87/89/890348789.db2.gz CMERYOCQNUDRQB-VXNVDRBHSA-N 0 3 274.321 -1.708 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)NCCS(C)(=O)=O ZINC001419731147 890348870 /nfs/dbraw/zinc/34/88/70/890348870.db2.gz KTEORIJLEVHLGJ-SFYZADRCSA-N 0 3 294.377 -1.818 20 0 CAADHN C[C@H](CNC(=O)CO[C@H]1CCOC1)NCC(=O)N(C)C ZINC001419738156 890348993 /nfs/dbraw/zinc/34/89/93/890348993.db2.gz UFVQLQFLANOBNN-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CNC(=O)c1ccnn1C)NCC(=O)NC(N)=O ZINC001419712438 890349595 /nfs/dbraw/zinc/34/95/95/890349595.db2.gz PYOYSYXOSLSSLQ-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN C[C@@H](CNC(=O)c1ccnn1C)NCC(=O)NC(N)=O ZINC001419712442 890349934 /nfs/dbraw/zinc/34/99/34/890349934.db2.gz PYOYSYXOSLSSLQ-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCNC(N)=O ZINC001419742446 890350268 /nfs/dbraw/zinc/35/02/68/890350268.db2.gz QMBHZRYDQXUJLU-SFYZADRCSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)NCCF ZINC001419733236 890350345 /nfs/dbraw/zinc/35/03/45/890350345.db2.gz LLPONPUKDZOIDX-SECBINFHSA-N 0 3 298.384 -1.212 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001419731737 890351480 /nfs/dbraw/zinc/35/14/80/890351480.db2.gz DEYKYYJXLMFDQK-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001419720974 890350733 /nfs/dbraw/zinc/35/07/33/890350733.db2.gz TXOOSWCKIXMQDF-QMMMGPOBSA-N 0 3 296.331 -1.498 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)N(C)C1CC1 ZINC001419732323 890350863 /nfs/dbraw/zinc/35/08/63/890350863.db2.gz QDMJNZAMJFCWFJ-WPRPVWTQSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCc1cnn(C)n1 ZINC001419719512 890350952 /nfs/dbraw/zinc/35/09/52/890350952.db2.gz KVKXXLYPMMCJHZ-VIFPVBQESA-N 0 3 282.348 -1.331 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O)n1 ZINC001419737787 890351041 /nfs/dbraw/zinc/35/10/41/890351041.db2.gz CCKUHWCNSQTGKJ-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)N[C@H]1CCCNC1=O ZINC001419742935 890351329 /nfs/dbraw/zinc/35/13/29/890351329.db2.gz FSXIRBYUHGGVMU-UWVGGRQHSA-N 0 3 299.375 -1.322 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001419718978 890351377 /nfs/dbraw/zinc/35/13/77/890351377.db2.gz WGZWFLNVPDCVDA-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ccn(C)c(=O)c1)C(N)=O ZINC001419792021 890352328 /nfs/dbraw/zinc/35/23/28/890352328.db2.gz KZLHWIMYOVYYDR-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)N[C@@H]1CCCNC1=O ZINC001419754726 890352796 /nfs/dbraw/zinc/35/27/96/890352796.db2.gz ZFCAEWVDQXXOOI-DTWKUNHWSA-N 0 3 281.320 -1.954 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cnc2n1CCOC2 ZINC001419757229 890353127 /nfs/dbraw/zinc/35/31/27/890353127.db2.gz JOLXJGPYOXAUHV-SECBINFHSA-N 0 3 295.343 -1.133 20 0 CAADHN C[C@H](CNC(=O)[C@]12C[C@H]1COC2)NCC(=O)NC(N)=O ZINC001419770042 890353216 /nfs/dbraw/zinc/35/32/16/890353216.db2.gz WKIPRVZSMCPEMU-LWINAJNOSA-N 0 3 284.316 -1.688 20 0 CAADHN C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NCC(=O)NC(N)=O ZINC001419770047 890353734 /nfs/dbraw/zinc/35/37/34/890353734.db2.gz WKIPRVZSMCPEMU-UBJUHAIHSA-N 0 3 284.316 -1.688 20 0 CAADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N[C@@H]1CCNC1=O ZINC001419752820 890353883 /nfs/dbraw/zinc/35/38/83/890353883.db2.gz BFRXUZQBTYOYCE-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CNC(=O)c1cnc2nccn2c1)NCC(N)=O ZINC001419804587 890354101 /nfs/dbraw/zinc/35/41/01/890354101.db2.gz LMOBHTPQXCRKEA-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001419802966 890354881 /nfs/dbraw/zinc/35/48/81/890354881.db2.gz DWOLMSBRARLMSD-IVZWLZJFSA-N 0 3 295.347 -1.613 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N[C@@H]1CCCNC1=O ZINC001419754734 890355716 /nfs/dbraw/zinc/35/57/16/890355716.db2.gz ZFCAEWVDQXXOOI-RKDXNWHRSA-N 0 3 281.320 -1.954 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001419764352 890355780 /nfs/dbraw/zinc/35/57/80/890355780.db2.gz HBSSBSMMCMAKCH-YUMQZZPRSA-N 0 3 291.373 -1.740 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(=O)N1CCC1 ZINC001419811235 890355819 /nfs/dbraw/zinc/35/58/19/890355819.db2.gz ABHACSVTVCVRSZ-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N[C@@H]1CCCN(C)C1=O ZINC001419816585 890356850 /nfs/dbraw/zinc/35/68/50/890356850.db2.gz PEMZQXVFHBIMSL-DTWKUNHWSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)NCC(=O)N1CCCC1 ZINC001419819590 890356969 /nfs/dbraw/zinc/35/69/69/890356969.db2.gz YYGUUHLICMUEQP-SECBINFHSA-N 0 3 295.347 -1.460 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001419865776 890357382 /nfs/dbraw/zinc/35/73/82/890357382.db2.gz TWYFFYOUFQPQFF-JGVFFNPUSA-N 0 3 295.343 -1.044 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001419847322 890357421 /nfs/dbraw/zinc/35/74/21/890357421.db2.gz HLSUKDNWDRULEY-SFYZADRCSA-N 0 3 294.377 -2.236 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(=O)NC1CC1 ZINC001419824992 890357497 /nfs/dbraw/zinc/35/74/97/890357497.db2.gz BSIPHHYTNGJKII-MRVPVSSYSA-N 0 3 293.327 -1.244 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N[C@H]1CCCN(C)C1=O ZINC001419816588 890357634 /nfs/dbraw/zinc/35/76/34/890357634.db2.gz PEMZQXVFHBIMSL-IUCAKERBSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@H](CNC(=O)Cn1nnc2c1CCCC2)NCC(N)=O ZINC001419858747 890358041 /nfs/dbraw/zinc/35/80/41/890358041.db2.gz KWTUJPNSLDYBBF-SECBINFHSA-N 0 3 294.359 -1.264 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@@H]1CCCN(C)C1=O ZINC001419816591 890358111 /nfs/dbraw/zinc/35/81/11/890358111.db2.gz PEMZQXVFHBIMSL-RKDXNWHRSA-N 0 3 295.347 -1.461 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001419823600 890358317 /nfs/dbraw/zinc/35/83/17/890358317.db2.gz PBHYTUOMQBBTJN-JGVFFNPUSA-N 0 3 271.321 -2.102 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)NCC(=O)N1CCCC1 ZINC001419819591 890358778 /nfs/dbraw/zinc/35/87/78/890358778.db2.gz YYGUUHLICMUEQP-VIFPVBQESA-N 0 3 295.347 -1.460 20 0 CAADHN CC(C)[C@H](CNC(=O)CS(C)(=O)=O)N[C@H](C)C(N)=O ZINC001419866804 890359305 /nfs/dbraw/zinc/35/93/05/890359305.db2.gz SXYHDOZUBAAEBV-BDAKNGLRSA-N 0 3 293.389 -1.365 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)NCC(=O)N(C)C ZINC001419862255 890359331 /nfs/dbraw/zinc/35/93/31/890359331.db2.gz PDDYGUNYMWEHIU-YUMQZZPRSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NCC(=O)NC(N)=O ZINC001419832716 890359574 /nfs/dbraw/zinc/35/95/74/890359574.db2.gz FXFQHSKBDHEVII-ODXREFDESA-N 0 3 284.316 -1.832 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1COCCO1)C(C)C ZINC001419850987 890360602 /nfs/dbraw/zinc/36/06/02/890360602.db2.gz FVWDCGMSUVALFA-QWRGUYRKSA-N 0 3 287.360 -1.122 20 0 CAADHN C[C@H](CNC(=O)Cc1cscn1)NCC(=O)NC(N)=O ZINC001419864198 890360797 /nfs/dbraw/zinc/36/07/97/890360797.db2.gz HXTWNWIYDJNZIR-SSDOTTSWSA-N 0 3 299.356 -1.025 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001419898084 890361573 /nfs/dbraw/zinc/36/15/73/890361573.db2.gz FGSRWYGQECVUFA-DTWKUNHWSA-N 0 3 285.348 -1.856 20 0 CAADHN CCn1ccc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)n1 ZINC001419867094 890361976 /nfs/dbraw/zinc/36/19/76/890361976.db2.gz LJJGMFXEXDABHD-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H](C)C(=O)N(C)C ZINC001419908474 890362077 /nfs/dbraw/zinc/36/20/77/890362077.db2.gz XYYACADNTLLVBU-RKDXNWHRSA-N 0 3 282.348 -1.082 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001419891068 890362176 /nfs/dbraw/zinc/36/21/76/890362176.db2.gz ISTOJUQOGIBCSQ-IUCAKERBSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001419931199 890363072 /nfs/dbraw/zinc/36/30/72/890363072.db2.gz FOCGWJPQUVEKDK-HTQZYQBOSA-N 0 3 292.361 -2.482 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)NCC(=O)NCC1CC1 ZINC001419918879 890363282 /nfs/dbraw/zinc/36/32/82/890363282.db2.gz IMGVZCZEQHPRSO-SNVBAGLBSA-N 0 3 294.359 -1.101 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001419928726 890363413 /nfs/dbraw/zinc/36/34/13/890363413.db2.gz MJEGOVXYSYHVMG-UWVGGRQHSA-N 0 3 294.359 -1.319 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cnn(C)c1OC ZINC001419898719 890363538 /nfs/dbraw/zinc/36/35/38/890363538.db2.gz FTLPJVBGEHOVQC-MRVPVSSYSA-N 0 3 283.332 -1.117 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001419908472 890363696 /nfs/dbraw/zinc/36/36/96/890363696.db2.gz XYYACADNTLLVBU-IUCAKERBSA-N 0 3 282.348 -1.082 20 0 CAADHN CC(C)[C@@H](CNC(=O)CS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001419866805 890364216 /nfs/dbraw/zinc/36/42/16/890364216.db2.gz SXYHDOZUBAAEBV-DTWKUNHWSA-N 0 3 293.389 -1.365 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)Cn1cncn1 ZINC001419922359 890364533 /nfs/dbraw/zinc/36/45/33/890364533.db2.gz PNYKHMVBNISTEZ-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@H](CNC(=O)CCN1CCOCC1)N[C@@H]1CCNC1=O ZINC001419876001 890365156 /nfs/dbraw/zinc/36/51/56/890365156.db2.gz KVRJTDORAHLPFC-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN CCn1nc(C(=O)NC[C@H](C)NCC(N)=O)ccc1=O ZINC001419872756 890365574 /nfs/dbraw/zinc/36/55/74/890365574.db2.gz NPFMDTVGSLSVNC-QMMMGPOBSA-N 0 3 281.316 -1.544 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCC(N)=O ZINC001419904437 890365665 /nfs/dbraw/zinc/36/56/65/890365665.db2.gz JNXFUCKLUSFNGM-RNCFNFMXSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001419959237 890366456 /nfs/dbraw/zinc/36/64/56/890366456.db2.gz VRSXYJXXUWJTJF-WCBMZHEXSA-N 0 3 286.332 -1.611 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)c1cn(C)nn1 ZINC001419961046 890366662 /nfs/dbraw/zinc/36/66/62/890366662.db2.gz QFAMPMNMNXUHKW-SNVBAGLBSA-N 0 3 285.348 -1.174 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001419951685 890367025 /nfs/dbraw/zinc/36/70/25/890367025.db2.gz XTTCFKIGZHRZTF-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001419954475 890369885 /nfs/dbraw/zinc/36/98/85/890369885.db2.gz APOOUOVGXZCGHE-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001419957978 890369951 /nfs/dbraw/zinc/36/99/51/890369951.db2.gz MNPRDMDIJKZBDI-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001419952362 890370378 /nfs/dbraw/zinc/37/03/78/890370378.db2.gz CWMMWHVTRWFWNI-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001419945361 890370509 /nfs/dbraw/zinc/37/05/09/890370509.db2.gz RGAVINLECYIRTE-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001419957260 890370547 /nfs/dbraw/zinc/37/05/47/890370547.db2.gz DYUOGEVZEGQWML-VIFPVBQESA-N 0 3 280.332 -1.293 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)c1nc[nH]n1 ZINC001420040506 890375427 /nfs/dbraw/zinc/37/54/27/890375427.db2.gz VFFGPOFWSVSHNP-SECBINFHSA-N 0 3 271.321 -1.184 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)c1nc[nH]n1 ZINC001420040507 890376282 /nfs/dbraw/zinc/37/62/82/890376282.db2.gz VFFGPOFWSVSHNP-VIFPVBQESA-N 0 3 271.321 -1.184 20 0 CAADHN CCC(=O)NC[C@H](O)CNCC(=O)NC[C@H]1CCOC1 ZINC001420081193 890377948 /nfs/dbraw/zinc/37/79/48/890377948.db2.gz JPFNNTOMIHCVHN-GHMZBOCLSA-N 0 3 287.360 -1.384 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001420091904 890378056 /nfs/dbraw/zinc/37/80/56/890378056.db2.gz AVLUGNCGOCITSE-GHMZBOCLSA-N 0 3 297.359 -1.607 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2ccccn2)C1=O ZINC001420085378 890378393 /nfs/dbraw/zinc/37/83/93/890378393.db2.gz XSCUVZFDKSGAPW-CMPLNLGQSA-N 0 3 292.339 -1.007 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2cnccn2)C1=O ZINC001420091083 890378829 /nfs/dbraw/zinc/37/88/29/890378829.db2.gz PDXWZLZHMFFTBE-ZJUUUORDSA-N 0 3 293.327 -1.612 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)N1CCO[C@H](C)C1 ZINC001420083905 890378861 /nfs/dbraw/zinc/37/88/61/890378861.db2.gz MKKQBVWQUYLLNB-KOLCDFICSA-N 0 3 273.333 -1.680 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cccnc1 ZINC001420090706 890379464 /nfs/dbraw/zinc/37/94/64/890379464.db2.gz AQAIIFRJDSQAQM-LLVKDONJSA-N 0 3 280.328 -1.563 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)NC(=O)NC1CC1 ZINC001420087029 890379785 /nfs/dbraw/zinc/37/97/85/890379785.db2.gz QHWZBKAPVVASTA-SECBINFHSA-N 0 3 272.305 -1.939 20 0 CAADHN CN(CCO)CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001420055765 890380092 /nfs/dbraw/zinc/38/00/92/890380092.db2.gz CAQJJFLUUPTPOB-UHFFFAOYSA-N 0 3 284.320 -2.241 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C(F)F)NCC1CC1 ZINC001420078175 890380363 /nfs/dbraw/zinc/38/03/63/890380363.db2.gz GCLFQIIBRDIWKV-QMMMGPOBSA-N 0 3 279.287 -1.156 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCO1 ZINC001420108696 890381866 /nfs/dbraw/zinc/38/18/66/890381866.db2.gz NIYGCNDDUPVDJK-NXEZZACHSA-N 0 3 273.333 -1.632 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCCO1)NCC1CC1 ZINC001420093900 890382576 /nfs/dbraw/zinc/38/25/76/890382576.db2.gz FLFMSELOKHYFFX-VXGBXAGGSA-N 0 3 299.371 -1.242 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001420105929 890382746 /nfs/dbraw/zinc/38/27/46/890382746.db2.gz JCQILKYBTSDDBU-GFCCVEGCSA-N 0 3 292.343 -1.047 20 0 CAADHN CC(C)OCC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001420108354 890382982 /nfs/dbraw/zinc/38/29/82/890382982.db2.gz LMSRHWUMBOEZMO-SNVBAGLBSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CC1CCOCC1 ZINC001420104999 890383029 /nfs/dbraw/zinc/38/30/29/890383029.db2.gz HUGCNDSANCBRST-NSHDSACASA-N 0 3 287.360 -1.384 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001420104694 890383354 /nfs/dbraw/zinc/38/33/54/890383354.db2.gz IQOVYEOLWHFWJW-NSHDSACASA-N 0 3 297.359 -1.606 20 0 CAADHN O=C(Cc1cc[nH]n1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420096999 890383784 /nfs/dbraw/zinc/38/37/84/890383784.db2.gz DTAJVHCTUDBARU-VHSXEESVSA-N 0 3 281.316 -2.093 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCCO1)NCC1CC1 ZINC001420093889 890384152 /nfs/dbraw/zinc/38/41/52/890384152.db2.gz FLFMSELOKHYFFX-NEPJUHHUSA-N 0 3 299.371 -1.242 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001420104688 890384194 /nfs/dbraw/zinc/38/41/94/890384194.db2.gz IQOVYEOLWHFWJW-LLVKDONJSA-N 0 3 297.359 -1.606 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001420108702 890385121 /nfs/dbraw/zinc/38/51/21/890385121.db2.gz NIYGCNDDUPVDJK-ZJUUUORDSA-N 0 3 273.333 -1.632 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)[nH]1 ZINC001420106815 890385723 /nfs/dbraw/zinc/38/57/23/890385723.db2.gz LKNHQZMPCGUGPN-UWVGGRQHSA-N 0 3 295.343 -1.323 20 0 CAADHN CC(C)C(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001420108117 890385871 /nfs/dbraw/zinc/38/58/71/890385871.db2.gz OACLQHYWKZEDOF-JGVFFNPUSA-N 0 3 274.321 -1.708 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1=CCCC1)C(=O)NC(N)=O ZINC001420094587 890386280 /nfs/dbraw/zinc/38/62/80/890386280.db2.gz DQOXDJIYEQWXIZ-WCBMZHEXSA-N 0 3 298.343 -1.253 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1n[nH]c(C)c1C ZINC001420114629 890386682 /nfs/dbraw/zinc/38/66/82/890386682.db2.gz QQRUIYWWCRUVES-UWVGGRQHSA-N 0 3 297.359 -1.159 20 0 CAADHN O=C(CC1CCOCC1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420111820 890387398 /nfs/dbraw/zinc/38/73/98/890387398.db2.gz MQLXZYVUMJQBDU-VXGBXAGGSA-N 0 3 299.371 -1.242 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCOC1 ZINC001420116282 890388092 /nfs/dbraw/zinc/38/80/92/890388092.db2.gz VKIHGHPJOISRPM-UWVGGRQHSA-N 0 3 273.333 -1.774 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)o1 ZINC001420110555 890388247 /nfs/dbraw/zinc/38/82/47/890388247.db2.gz KRDBCAOWQBDTHD-IONNQARKSA-N 0 3 284.316 -1.154 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)co1 ZINC001420110976 890388513 /nfs/dbraw/zinc/38/85/13/890388513.db2.gz HYXMEWCQSOORKY-BDAKNGLRSA-N 0 3 282.300 -1.448 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001420110220 890388646 /nfs/dbraw/zinc/38/86/46/890388646.db2.gz MZTSLDUXTOCBKR-SNVBAGLBSA-N 0 3 297.359 -1.373 20 0 CAADHN CC(C)(O)CC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420110011 890388856 /nfs/dbraw/zinc/38/88/56/890388856.db2.gz LVVWHJBUJQXIMQ-DTWKUNHWSA-N 0 3 273.333 -1.897 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)co1 ZINC001420111157 890388818 /nfs/dbraw/zinc/38/88/18/890388818.db2.gz HYXMEWCQSOORKY-DTWKUNHWSA-N 0 3 282.300 -1.448 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cc(C)ncn1)C(N)=O ZINC001420113835 890389146 /nfs/dbraw/zinc/38/91/46/890389146.db2.gz PTWWXRCTYAOMFS-ZJUUUORDSA-N 0 3 295.343 -1.271 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC001420115077 890389224 /nfs/dbraw/zinc/38/92/24/890389224.db2.gz QROXBLDOEBUIAP-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1[nH]nc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c1C ZINC001420117112 890389838 /nfs/dbraw/zinc/38/98/38/890389838.db2.gz WDYVJQVPCXKOOU-BDAKNGLRSA-N 0 3 283.332 -1.419 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)co1 ZINC001420111176 890390396 /nfs/dbraw/zinc/39/03/96/890390396.db2.gz HYXMEWCQSOORKY-RKDXNWHRSA-N 0 3 282.300 -1.448 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420114396 890390639 /nfs/dbraw/zinc/39/06/39/890390639.db2.gz UWGJAQNYMKTXDF-JGVFFNPUSA-N 0 3 283.292 -3.372 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cc(C)ncn1)C(N)=O ZINC001420113827 890390855 /nfs/dbraw/zinc/39/08/55/890390855.db2.gz PTWWXRCTYAOMFS-VHSXEESVSA-N 0 3 295.343 -1.271 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001420122753 890391856 /nfs/dbraw/zinc/39/18/56/890391856.db2.gz ASSSGDQKTGQPNF-MJVIPROJSA-N 0 3 299.371 -1.384 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420123394 890391994 /nfs/dbraw/zinc/39/19/94/890391994.db2.gz AEHJWAZQRDJWDO-DTWKUNHWSA-N 0 3 281.316 -1.713 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C)[nH]n1 ZINC001420117242 890392915 /nfs/dbraw/zinc/39/29/15/890392915.db2.gz UTSHFFFDHDLZFJ-ZJUUUORDSA-N 0 3 297.359 -1.125 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001420118292 890393232 /nfs/dbraw/zinc/39/32/32/890393232.db2.gz VUYVCAYTXMFEDI-NXEZZACHSA-N 0 3 296.327 -1.058 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1nnc[n-]1 ZINC001420119157 890393578 /nfs/dbraw/zinc/39/35/78/890393578.db2.gz MCFKITUBJJAPJT-RKDXNWHRSA-N 0 3 280.332 -1.293 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)sn1 ZINC001420124244 890393702 /nfs/dbraw/zinc/39/37/02/890393702.db2.gz DZDBRQMWDALZIH-LURJTMIESA-N 0 3 288.329 -1.683 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnnn1C)C(N)=O ZINC001420125632 890393993 /nfs/dbraw/zinc/39/39/93/890393993.db2.gz OGKPFPCLMXOZCY-HTQZYQBOSA-N 0 3 284.320 -2.241 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)c1ncc[nH]1)C1CC1 ZINC001420123641 890394268 /nfs/dbraw/zinc/39/42/68/890394268.db2.gz BKNBYSORHZDAQP-JTQLQIEISA-N 0 3 295.343 -1.289 20 0 CAADHN O=C(Cn1cccn1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420120018 890394411 /nfs/dbraw/zinc/39/44/11/890394411.db2.gz ZUULPJYVRGFCDD-ZJUUUORDSA-N 0 3 281.316 -2.162 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cocn1)N1CCC1 ZINC001420118807 890394883 /nfs/dbraw/zinc/39/48/83/890394883.db2.gz YHZLSSXGYFMGJV-SECBINFHSA-N 0 3 282.300 -1.413 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnnn1C)C(N)=O ZINC001420125637 890395188 /nfs/dbraw/zinc/39/51/88/890395188.db2.gz OGKPFPCLMXOZCY-YUMQZZPRSA-N 0 3 284.320 -2.241 20 0 CAADHN CS[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001420119996 890395214 /nfs/dbraw/zinc/39/52/14/890395214.db2.gz WYLOMJLVDWFWPV-RQJHMYQMSA-N 0 3 292.361 -2.001 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2ncc[nH]2)n[nH]1 ZINC001420124782 890395502 /nfs/dbraw/zinc/39/55/02/890395502.db2.gz DSFQNJIJEOMGCJ-QMMMGPOBSA-N 0 3 279.304 -1.283 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cn[nH]c1)N1CCCC1 ZINC001420120002 890395824 /nfs/dbraw/zinc/39/58/24/890395824.db2.gz XAINACCGVLUNOM-NSHDSACASA-N 0 3 295.343 -1.288 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C)[nH]n1 ZINC001420117235 890395930 /nfs/dbraw/zinc/39/59/30/890395930.db2.gz UTSHFFFDHDLZFJ-VHSXEESVSA-N 0 3 297.359 -1.125 20 0 CAADHN Cn1cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c(=O)[nH]c1=O ZINC001420132702 890397017 /nfs/dbraw/zinc/39/70/17/890397017.db2.gz LRTDUDXXHJMNOM-MRVPVSSYSA-N 0 3 294.311 -1.311 20 0 CAADHN Cc1cnccc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420128715 890397707 /nfs/dbraw/zinc/39/77/07/890397707.db2.gz PMSICLFFIWIDBV-PWSUYJOCSA-N 0 3 292.339 -1.041 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)CC1=O ZINC001420145384 890397889 /nfs/dbraw/zinc/39/78/89/890397889.db2.gz MLAKUQGRTPXLRM-BDAKNGLRSA-N 0 3 286.332 -2.593 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001420128489 890398261 /nfs/dbraw/zinc/39/82/61/890398261.db2.gz QVITZRUQFPXJNC-VIFPVBQESA-N 0 3 299.335 -2.782 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001420142789 890398541 /nfs/dbraw/zinc/39/85/41/890398541.db2.gz ISCSCJKJWJYWFJ-UWVGGRQHSA-N 0 3 295.343 -2.003 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnc(C2CC2)o1 ZINC001420136543 890398630 /nfs/dbraw/zinc/39/86/30/890398630.db2.gz HYJSOSVXVMRDBU-VIFPVBQESA-N 0 3 296.327 -1.022 20 0 CAADHN CCCn1nccc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001420138109 890399397 /nfs/dbraw/zinc/39/93/97/890399397.db2.gz KFLRJSUNXZAZFH-UWVGGRQHSA-N 0 3 297.359 -1.153 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnc(C2CC2)o1 ZINC001420136541 890399472 /nfs/dbraw/zinc/39/94/72/890399472.db2.gz HYJSOSVXVMRDBU-SECBINFHSA-N 0 3 296.327 -1.022 20 0 CAADHN Cn1nncc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420128563 890399620 /nfs/dbraw/zinc/39/96/20/890399620.db2.gz XPKCBSZNGGKWCJ-SFYZADRCSA-N 0 3 282.304 -2.616 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccc(C)nn1 ZINC001420132002 890400020 /nfs/dbraw/zinc/40/00/20/890400020.db2.gz WWBLWPRCWCOQJX-ZJUUUORDSA-N 0 3 295.343 -1.400 20 0 CAADHN CCCn1nccc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001420138110 890400274 /nfs/dbraw/zinc/40/02/74/890400274.db2.gz KFLRJSUNXZAZFH-VHSXEESVSA-N 0 3 297.359 -1.153 20 0 CAADHN NC(=O)CSCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001420132066 890400613 /nfs/dbraw/zinc/40/06/13/890400613.db2.gz IOXLGHUZVBGXQI-MRVPVSSYSA-N 0 3 273.358 -1.206 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001420133180 890400687 /nfs/dbraw/zinc/40/06/87/890400687.db2.gz BLXACWWBUCCDTI-VIFPVBQESA-N 0 3 296.331 -2.293 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001420129338 890400710 /nfs/dbraw/zinc/40/07/10/890400710.db2.gz SYSGTJBDVCTVNU-SBMIAAHKSA-N 0 3 271.317 -2.164 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccns1 ZINC001420136401 890400837 /nfs/dbraw/zinc/40/08/37/890400837.db2.gz LCUYEFVMLHICED-SFYZADRCSA-N 0 3 286.357 -1.042 20 0 CAADHN COCc1cccc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001420158671 890401834 /nfs/dbraw/zinc/40/18/34/890401834.db2.gz NRWTYQBETJFPPW-LBPRGKRZSA-N 0 3 295.339 -1.001 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CNCC(N)=O)c1Cl ZINC001420162907 890402063 /nfs/dbraw/zinc/40/20/63/890402063.db2.gz XUEXWELHXHGMIV-LURJTMIESA-N 0 3 289.723 -1.761 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1csnn1)C(N)=O ZINC001420157479 890402091 /nfs/dbraw/zinc/40/20/91/890402091.db2.gz NGFIDZGQLDVECD-WDSKDSINSA-N 0 3 273.318 -1.908 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001420161605 890402137 /nfs/dbraw/zinc/40/21/37/890402137.db2.gz WFOMUZBMCZJCSW-SSDOTTSWSA-N 0 3 283.288 -2.392 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccc(=O)n(C)c1)C(N)=O ZINC001420157524 890402211 /nfs/dbraw/zinc/40/22/11/890402211.db2.gz OYKRPQXNLBSBGH-SCZZXKLOSA-N 0 3 296.327 -2.061 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)cc(=O)[nH]1 ZINC001420150695 890402493 /nfs/dbraw/zinc/40/24/93/890402493.db2.gz MASAQCOLLHYLMJ-JTQLQIEISA-N 0 3 296.327 -1.485 20 0 CAADHN CCc1c(C(=O)NC[C@@H](O)CNCC(=O)NC)cnn1C ZINC001420152490 890402521 /nfs/dbraw/zinc/40/25/21/890402521.db2.gz HQULPBPTCBDYJM-VIFPVBQESA-N 0 3 297.359 -1.591 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC(N[C@H]3CCOC3)C2)O1 ZINC001420150626 890403085 /nfs/dbraw/zinc/40/30/85/890403085.db2.gz VBCUJFJBIDNETK-INTQDDNPSA-N 0 3 283.328 -1.391 20 0 CAADHN CCc1cccc(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001420150384 890403254 /nfs/dbraw/zinc/40/32/54/890403254.db2.gz YJZIDLZGGFBEAI-JTQLQIEISA-N 0 3 280.328 -1.190 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001420156121 890403583 /nfs/dbraw/zinc/40/35/83/890403583.db2.gz GWZREWVRNVXVAZ-UWVGGRQHSA-N 0 3 297.359 -1.125 20 0 CAADHN COc1cncc(C(=O)NC[C@@H](O)CNCC(N)=O)c1C ZINC001420157030 890403655 /nfs/dbraw/zinc/40/36/55/890403655.db2.gz QLIJOLUZLOFHPP-VIFPVBQESA-N 0 3 296.327 -1.436 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1csnn1 ZINC001420157224 890404018 /nfs/dbraw/zinc/40/40/18/890404018.db2.gz LUWIXCAJLYHLJX-RNFRBKRXSA-N 0 3 285.329 -1.893 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1c[nH]nc1C ZINC001420159684 890404510 /nfs/dbraw/zinc/40/45/10/890404510.db2.gz LIFFZQGLVXZPGW-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1[nH]c(C)nc1C ZINC001420177864 890405891 /nfs/dbraw/zinc/40/58/91/890405891.db2.gz YIRAAQDQUXEFNB-JTQLQIEISA-N 0 3 297.359 -1.157 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)Cc2c[nH]cn2)C1=O ZINC001420177337 890406226 /nfs/dbraw/zinc/40/62/26/890406226.db2.gz JWIMIZZAADTXDA-WDEREUQCSA-N 0 3 295.343 -1.750 20 0 CAADHN CCn1ccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001420177770 890406541 /nfs/dbraw/zinc/40/65/41/890406541.db2.gz BNPLOFFFMNGZNE-DTWKUNHWSA-N 0 3 283.332 -1.543 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1csc2cncn21 ZINC001420180805 890406712 /nfs/dbraw/zinc/40/67/12/890406712.db2.gz SRWQVBKEGRCXDO-SSDOTTSWSA-N 0 3 297.340 -1.439 20 0 CAADHN C[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)C(F)(F)F ZINC001420167067 890406793 /nfs/dbraw/zinc/40/67/93/890406793.db2.gz FPODBYDGGFRLTE-RITPCOANSA-N 0 3 271.239 -1.263 20 0 CAADHN Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001420165743 890406883 /nfs/dbraw/zinc/40/68/83/890406883.db2.gz UBDFRQJBKDEIFT-WPRPVWTQSA-N 0 3 297.359 -1.409 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC ZINC001420164639 890407230 /nfs/dbraw/zinc/40/72/30/890407230.db2.gz YVQBWNBPIRJCML-DTWKUNHWSA-N 0 3 297.359 -1.213 20 0 CAADHN Cc1ccn(CC(=O)NC[C@H](O)CNCC(N)=O)c(=O)c1 ZINC001420174158 890407254 /nfs/dbraw/zinc/40/72/54/890407254.db2.gz ALGYCKQEAAVERP-SNVBAGLBSA-N 0 3 296.327 -2.291 20 0 CAADHN COc1csc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001420167688 890407354 /nfs/dbraw/zinc/40/73/54/890407354.db2.gz XSDKFOMNHOUJGP-ZETCQYMHSA-N 0 3 287.341 -1.078 20 0 CAADHN Cc1cc(CCC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)no1 ZINC001420175649 890407577 /nfs/dbraw/zinc/40/75/77/890407577.db2.gz NPAUGWYBTOFUST-GXSJLCMTSA-N 0 3 298.343 -1.144 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@H](O)CNCc2cnon2)C1 ZINC001420177373 890407603 /nfs/dbraw/zinc/40/76/03/890407603.db2.gz WVKFBVXNILNAPU-CMPLNLGQSA-N 0 3 297.359 -1.022 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC ZINC001420164642 890407631 /nfs/dbraw/zinc/40/76/31/890407631.db2.gz YVQBWNBPIRJCML-IUCAKERBSA-N 0 3 297.359 -1.213 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)Cc2c[nH]cn2)C1=O ZINC001420177335 890407655 /nfs/dbraw/zinc/40/76/55/890407655.db2.gz JWIMIZZAADTXDA-MNOVXSKESA-N 0 3 295.343 -1.750 20 0 CAADHN CCn1ccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001420177771 890407733 /nfs/dbraw/zinc/40/77/33/890407733.db2.gz BNPLOFFFMNGZNE-IUCAKERBSA-N 0 3 283.332 -1.543 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NCCN(C)C[C@H](C)O ZINC001420216543 890418875 /nfs/dbraw/zinc/41/88/75/890418875.db2.gz XJZYGWAKNMCUIK-UWVGGRQHSA-N 0 3 295.405 -1.257 20 0 CAADHN CCn1ccc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1 ZINC001420178012 890408062 /nfs/dbraw/zinc/40/80/62/890408062.db2.gz BYZJCBUYAGCDPV-UWVGGRQHSA-N 0 3 295.343 -1.528 20 0 CAADHN Cn1nnc(CNC[C@@H](O)CNC(=O)c2[nH]ncc2F)n1 ZINC001420177370 890408184 /nfs/dbraw/zinc/40/81/84/890408184.db2.gz RRFPCACBMZWVJJ-ZCFIWIBFSA-N 0 3 298.282 -2.047 20 0 CAADHN CCn1ccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001420177773 890408340 /nfs/dbraw/zinc/40/83/40/890408340.db2.gz BNPLOFFFMNGZNE-RKDXNWHRSA-N 0 3 283.332 -1.543 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)Cc2c[nH]cn2)C1=O ZINC001420177334 890408366 /nfs/dbraw/zinc/40/83/66/890408366.db2.gz JWIMIZZAADTXDA-GHMZBOCLSA-N 0 3 295.343 -1.750 20 0 CAADHN Cc1nn(C)c(C)c1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001420165738 890408435 /nfs/dbraw/zinc/40/84/35/890408435.db2.gz UBDFRQJBKDEIFT-WCBMZHEXSA-N 0 3 297.359 -1.409 20 0 CAADHN CCc1oncc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001420178327 890408450 /nfs/dbraw/zinc/40/84/50/890408450.db2.gz MZCXHRKMTYPBFD-ZETCQYMHSA-N 0 3 270.289 -1.597 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cccnn1 ZINC001420188686 890410056 /nfs/dbraw/zinc/41/00/56/890410056.db2.gz CYOCPOIHFTYNBM-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN CCn1cc(CC(=O)NC[C@H](O)CNCC(=O)NC)cn1 ZINC001420192584 890410122 /nfs/dbraw/zinc/41/01/22/890410122.db2.gz MQJLLWXGWYSIBF-LLVKDONJSA-N 0 3 297.359 -1.742 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c1C ZINC001420193397 890410197 /nfs/dbraw/zinc/41/01/97/890410197.db2.gz ILPOLAIYWYFDIH-WCBMZHEXSA-N 0 3 297.359 -1.234 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@]1(C)CCOC1 ZINC001420185198 890410525 /nfs/dbraw/zinc/41/05/25/890410525.db2.gz MOFWXGMRRNDJEZ-GWCFXTLKSA-N 0 3 287.360 -1.384 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c1C ZINC001420193392 890410643 /nfs/dbraw/zinc/41/06/43/890410643.db2.gz ILPOLAIYWYFDIH-SCZZXKLOSA-N 0 3 297.359 -1.234 20 0 CAADHN Cn1ncnc1CNC[C@H](O)CNC(=O)CN1CCCC1 ZINC001420194776 890410782 /nfs/dbraw/zinc/41/07/82/890410782.db2.gz WWPMWLZNULGTIM-NSHDSACASA-N 0 3 296.375 -1.522 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CN(C)S(C)(=O)=O)C(N)=O ZINC001420420512 890441954 /nfs/dbraw/zinc/44/19/54/890441954.db2.gz CINFQUJSMZPHRC-JGVFFNPUSA-N 0 3 294.377 -2.154 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccnnc1 ZINC001420191877 890411918 /nfs/dbraw/zinc/41/19/18/890411918.db2.gz LRJQCHDIOPPHCJ-VHSXEESVSA-N 0 3 279.300 -1.955 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001420182632 890411961 /nfs/dbraw/zinc/41/19/61/890411961.db2.gz PPNOAFRBBRMVAV-SNVBAGLBSA-N 0 3 297.359 -1.075 20 0 CAADHN Cn1ncnc1CNC[C@@H](O)CNC(=O)CN1CCCC1 ZINC001420194775 890412185 /nfs/dbraw/zinc/41/21/85/890412185.db2.gz WWPMWLZNULGTIM-LLVKDONJSA-N 0 3 296.375 -1.522 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001420189442 890412247 /nfs/dbraw/zinc/41/22/47/890412247.db2.gz JKJRMVZTIWUITK-VIFPVBQESA-N 0 3 283.332 -1.811 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001420203617 890413216 /nfs/dbraw/zinc/41/32/16/890413216.db2.gz XPEABFKHRUPWPX-BDAKNGLRSA-N 0 3 286.332 -2.532 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001420204842 890413329 /nfs/dbraw/zinc/41/33/29/890413329.db2.gz KXJTYBJPOJHAEY-MRVPVSSYSA-N 0 3 270.293 -2.909 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1nonc1C ZINC001420208385 890413351 /nfs/dbraw/zinc/41/33/51/890413351.db2.gz VTIUHYRLZROFCO-MRVPVSSYSA-N 0 3 285.304 -1.806 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CS(=O)(=O)NC ZINC001420744554 890460369 /nfs/dbraw/zinc/46/03/69/890460369.db2.gz OZICPUCAXHPOQF-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN COc1ccccc1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001420204830 890413481 /nfs/dbraw/zinc/41/34/81/890413481.db2.gz KTIHHZLORWNLQB-NSHDSACASA-N 0 3 295.339 -1.210 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1ncccn1 ZINC001420199731 890413663 /nfs/dbraw/zinc/41/36/63/890413663.db2.gz RMTUNALSUAWUCL-SNVBAGLBSA-N 0 3 295.343 -1.319 20 0 CAADHN CCCc1cc(C(=O)NC[C@H](O)CNCC(N)=O)no1 ZINC001420203272 890413760 /nfs/dbraw/zinc/41/37/60/890413760.db2.gz XNWMOSFCKSNTEM-MRVPVSSYSA-N 0 3 284.316 -1.207 20 0 CAADHN O=C(Cn1cncn1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001420200895 890413784 /nfs/dbraw/zinc/41/37/84/890413784.db2.gz DECJOOUSTFOPBI-ZJUUUORDSA-N 0 3 296.331 -2.377 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001420208583 890413842 /nfs/dbraw/zinc/41/38/42/890413842.db2.gz WOFVYQMLZSNLCZ-LLVKDONJSA-N 0 3 293.331 -1.722 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1nonc1C ZINC001420201189 890413960 /nfs/dbraw/zinc/41/39/60/890413960.db2.gz COOXEMKQPVPHBN-JGVFFNPUSA-N 0 3 285.304 -1.807 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1nonc1C ZINC001420208402 890414017 /nfs/dbraw/zinc/41/40/17/890414017.db2.gz VTIUHYRLZROFCO-QMMMGPOBSA-N 0 3 285.304 -1.806 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2ccncn2)C1=O ZINC001420202598 890414154 /nfs/dbraw/zinc/41/41/54/890414154.db2.gz WFEJKXNYAFHWFJ-GXSJLCMTSA-N 0 3 293.327 -1.612 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420206620 890414228 /nfs/dbraw/zinc/41/42/28/890414228.db2.gz RQGFFUVMLKQEML-JGVFFNPUSA-N 0 3 283.288 -2.053 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001420204372 890414283 /nfs/dbraw/zinc/41/42/83/890414283.db2.gz JBWVLAPTEXMOCJ-NSHDSACASA-N 0 3 297.359 -1.526 20 0 CAADHN O=C(Cn1cncn1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001420200891 890414296 /nfs/dbraw/zinc/41/42/96/890414296.db2.gz DECJOOUSTFOPBI-VHSXEESVSA-N 0 3 296.331 -2.377 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1ncccn1 ZINC001420199730 890414348 /nfs/dbraw/zinc/41/43/48/890414348.db2.gz RMTUNALSUAWUCL-JTQLQIEISA-N 0 3 295.343 -1.319 20 0 CAADHN NC(=O)NCCC(=O)NC[C@H](O)CNCc1cccnc1 ZINC001420199199 890414728 /nfs/dbraw/zinc/41/47/28/890414728.db2.gz BIOIJKAQUIFUQJ-LLVKDONJSA-N 0 3 295.343 -1.293 20 0 CAADHN Cn1nc(C(=O)NC[C@@H](O)CNCC(N)=O)ccc1=O ZINC001420204436 890414878 /nfs/dbraw/zinc/41/48/78/890414878.db2.gz JJLPOTMIQFJKCQ-ZETCQYMHSA-N 0 3 283.288 -3.054 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1nonc1C ZINC001420201193 890415066 /nfs/dbraw/zinc/41/50/66/890415066.db2.gz COOXEMKQPVPHBN-SFYZADRCSA-N 0 3 285.304 -1.807 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)ccn1 ZINC001420201362 890415442 /nfs/dbraw/zinc/41/54/42/890415442.db2.gz UQEOHSIOBVWVIB-VXGBXAGGSA-N 0 3 292.339 -1.041 20 0 CAADHN Cc1ccccc1OCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001420205387 890415950 /nfs/dbraw/zinc/41/59/50/890415950.db2.gz NGJMGZBXZRJELB-NSHDSACASA-N 0 3 295.339 -1.074 20 0 CAADHN O=C(Cc1ccc[nH]1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420223683 890417675 /nfs/dbraw/zinc/41/76/75/890417675.db2.gz XUZSKUITSZPVHM-MNOVXSKESA-N 0 3 280.328 -1.488 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001420217443 890418021 /nfs/dbraw/zinc/41/80/21/890418021.db2.gz AIMLIIASQWLPMC-NXEZZACHSA-N 0 3 295.343 -1.323 20 0 CAADHN Cc1nsc(C)c1C(=O)NC[C@H](O)CNCC(N)=O ZINC001420219280 890418233 /nfs/dbraw/zinc/41/82/33/890418233.db2.gz UTWPGFKFCGQPLH-MRVPVSSYSA-N 0 3 286.357 -1.074 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1cnn(C)c1)C(N)=O ZINC001420210377 890418293 /nfs/dbraw/zinc/41/82/93/890418293.db2.gz JDJRDMKCYZTJKY-ONGXEEELSA-N 0 3 297.359 -1.707 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NCCN(C)C[C@H](C)O ZINC001420216545 890418777 /nfs/dbraw/zinc/41/87/77/890418777.db2.gz XJZYGWAKNMCUIK-VHSXEESVSA-N 0 3 295.405 -1.257 20 0 CAADHN O=C(Cc1ccc[nH]1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420223684 890419159 /nfs/dbraw/zinc/41/91/59/890419159.db2.gz XUZSKUITSZPVHM-QWRGUYRKSA-N 0 3 280.328 -1.488 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001420242587 890420528 /nfs/dbraw/zinc/42/05/28/890420528.db2.gz QURZYYJOENRGLM-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN Cc1c(C(=O)N[C@H](C)CN[C@@H]2CCNC2=O)nnn1C ZINC001420269950 890420720 /nfs/dbraw/zinc/42/07/20/890420720.db2.gz OUBDBZCXZLOOGA-VXNVDRBHSA-N 0 3 280.332 -1.280 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC(=O)NC)C(=O)COC ZINC001420243964 890420895 /nfs/dbraw/zinc/42/08/95/890420895.db2.gz LOINGWKKPMEWNJ-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001420237407 890420932 /nfs/dbraw/zinc/42/09/32/890420932.db2.gz HYEVLUQWHFUSOF-OUAUKWLOSA-N 0 3 296.371 -1.223 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)CN1CCOCC1=O ZINC001420241591 890421091 /nfs/dbraw/zinc/42/10/91/890421091.db2.gz AZLAKQDXEVSCDI-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)Cc1ccon1 ZINC001420268953 890421190 /nfs/dbraw/zinc/42/11/90/890421190.db2.gz JUSUTDRKDHORBL-MRVPVSSYSA-N 0 3 297.315 -1.233 20 0 CAADHN C[C@H](CNCc1ccnn1C)NC(=O)Cn1cnnn1 ZINC001420260894 890421210 /nfs/dbraw/zinc/42/12/10/890421210.db2.gz NFZWKWDOWHTFNI-SECBINFHSA-N 0 3 278.320 -1.299 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)c1c[nH]c(=O)cn1 ZINC001420241574 890421310 /nfs/dbraw/zinc/42/13/10/890421310.db2.gz OIHREYNDKHBOOB-VIFPVBQESA-N 0 3 295.343 -1.044 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001420251012 890421962 /nfs/dbraw/zinc/42/19/62/890421962.db2.gz ZEXDYYOJFUYSGA-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CN(CCO)CCNC(=O)COCc1nccn1C ZINC001420249759 890422667 /nfs/dbraw/zinc/42/26/67/890422667.db2.gz CLBXNBVLXHODRS-UHFFFAOYSA-N 0 3 270.333 -1.023 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)c1c[nH]c(=O)cn1 ZINC001420241561 890422852 /nfs/dbraw/zinc/42/28/52/890422852.db2.gz OIHREYNDKHBOOB-SECBINFHSA-N 0 3 295.343 -1.044 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420242589 890423179 /nfs/dbraw/zinc/42/31/79/890423179.db2.gz QURZYYJOENRGLM-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001420238858 890423252 /nfs/dbraw/zinc/42/32/52/890423252.db2.gz FJEXEPDIDWZHNN-VIFPVBQESA-N 0 3 295.343 -1.294 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)c1cn(C)nn1 ZINC001420273498 890424345 /nfs/dbraw/zinc/42/43/45/890424345.db2.gz IQHKMHPLHBFNLX-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001420280857 890424421 /nfs/dbraw/zinc/42/44/21/890424421.db2.gz NNYVHOBXTMPYLU-MRVPVSSYSA-N 0 3 296.331 -1.748 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001420283465 890424556 /nfs/dbraw/zinc/42/45/56/890424556.db2.gz XARKUARBTRYVRZ-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)Cn1ncnn1 ZINC001420292754 890424810 /nfs/dbraw/zinc/42/48/10/890424810.db2.gz CARZXBVBIVVOFI-BDAKNGLRSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)c1cn(C)nn1 ZINC001420272966 890424847 /nfs/dbraw/zinc/42/48/47/890424847.db2.gz CFYLWBVGZCOTIW-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCn1ccnn1 ZINC001420279168 890424934 /nfs/dbraw/zinc/42/49/34/890424934.db2.gz RFWBCLYWYDSIDM-NXEZZACHSA-N 0 3 280.332 -1.349 20 0 CAADHN CNC(=O)CCCC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001420283883 890425508 /nfs/dbraw/zinc/42/55/08/890425508.db2.gz VXCYUGSMIKYORZ-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001420270912 890425798 /nfs/dbraw/zinc/42/57/98/890425798.db2.gz GAZJJAYYNJQIOA-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CCCC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001420283879 890426248 /nfs/dbraw/zinc/42/62/48/890426248.db2.gz VXCYUGSMIKYORZ-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN Cc1ncc(CC(=O)N[C@H](C)CNCC(=O)NC(N)=O)o1 ZINC001420300754 890428324 /nfs/dbraw/zinc/42/83/24/890428324.db2.gz RDGCRPPJSFKQEC-SSDOTTSWSA-N 0 3 297.315 -1.185 20 0 CAADHN C[C@H](CNCc1cncn1C)NC(=O)c1nnn(C)n1 ZINC001420332327 890428673 /nfs/dbraw/zinc/42/86/73/890428673.db2.gz YUPFRFOJIVVGMX-MRVPVSSYSA-N 0 3 278.320 -1.148 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001420311718 890428749 /nfs/dbraw/zinc/42/87/49/890428749.db2.gz SADGRWAIUMLZCG-BDAKNGLRSA-N 0 3 298.347 -2.189 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001420307267 890429238 /nfs/dbraw/zinc/42/92/38/890429238.db2.gz OCQHYHVOHXQUEM-BDAKNGLRSA-N 0 3 285.348 -1.643 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001420296864 890429311 /nfs/dbraw/zinc/42/93/11/890429311.db2.gz IPMMVVZWLSZIOG-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001420311726 890429353 /nfs/dbraw/zinc/42/93/53/890429353.db2.gz SADGRWAIUMLZCG-RKDXNWHRSA-N 0 3 298.347 -2.189 20 0 CAADHN CN(CCO)CCNC(=O)COCc1nncn1C ZINC001420320418 890429519 /nfs/dbraw/zinc/42/95/19/890429519.db2.gz AFYPHEBIIUHXFH-UHFFFAOYSA-N 0 3 271.321 -1.628 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001420296865 890429591 /nfs/dbraw/zinc/42/95/91/890429591.db2.gz IPMMVVZWLSZIOG-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CCC(=O)N1C ZINC001420325711 890429601 /nfs/dbraw/zinc/42/96/01/890429601.db2.gz VDPDORCCENUWNQ-MWLCHTKSSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CN(C)C(=O)C1CC1 ZINC001420295380 890429611 /nfs/dbraw/zinc/42/96/11/890429611.db2.gz CTJMGFDGJNFPNI-RKDXNWHRSA-N 0 3 284.360 -1.177 20 0 CAADHN COCC(C)(C)C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001420322171 890429648 /nfs/dbraw/zinc/42/96/48/890429648.db2.gz YGCOIWVRCNHFBB-MRVPVSSYSA-N 0 3 288.348 -1.052 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001420330467 890429915 /nfs/dbraw/zinc/42/99/15/890429915.db2.gz GSOYCVWIHAJFPK-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001420307268 890430088 /nfs/dbraw/zinc/43/00/88/890430088.db2.gz OCQHYHVOHXQUEM-RKDXNWHRSA-N 0 3 285.348 -1.643 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ncccn1 ZINC001420357966 890432748 /nfs/dbraw/zinc/43/27/48/890432748.db2.gz VFACIKLGRTVUFN-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001420338909 890433500 /nfs/dbraw/zinc/43/35/00/890433500.db2.gz CXBXHJCFNAPDPH-SNVBAGLBSA-N 0 3 299.375 -1.027 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cnon1 ZINC001420354129 890433881 /nfs/dbraw/zinc/43/38/81/890433881.db2.gz CKOQVOYFOXSGBL-RNFRBKRXSA-N 0 3 298.303 -1.378 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001420341580 890433931 /nfs/dbraw/zinc/43/39/31/890433931.db2.gz INSWEXIWMZVCMU-MRVPVSSYSA-N 0 3 295.343 -1.042 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001420345939 890434100 /nfs/dbraw/zinc/43/41/00/890434100.db2.gz UUGGQCXXWYKBOX-SNVBAGLBSA-N 0 3 296.375 -1.022 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C[C@H](C)OC ZINC001420395299 890435275 /nfs/dbraw/zinc/43/52/75/890435275.db2.gz UGHCXQWPPVEBHD-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCn1cncn1 ZINC001420404646 890435313 /nfs/dbraw/zinc/43/53/13/890435313.db2.gz ZJUMJMSXMCSDFN-VHSXEESVSA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)Cn1ccccc1=O ZINC001420365667 890435515 /nfs/dbraw/zinc/43/55/15/890435515.db2.gz GGICMSJWLKPGNZ-NXEZZACHSA-N 0 3 280.328 -1.184 20 0 CAADHN Cc1nn(CC(=O)N[C@H](C)CN[C@H](C)C(N)=O)c(=O)n1C ZINC001420364901 890435921 /nfs/dbraw/zinc/43/59/21/890435921.db2.gz CDCRSAAWVZWGGE-HTQZYQBOSA-N 0 3 298.347 -2.142 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1ccnc1 ZINC001420383562 890436111 /nfs/dbraw/zinc/43/61/11/890436111.db2.gz BIHLWJOXCGGIQP-BDAKNGLRSA-N 0 3 296.331 -1.439 20 0 CAADHN CCN(CCNC(=O)[C@H](C)NC(N)=O)CCn1cncn1 ZINC001420376524 890437162 /nfs/dbraw/zinc/43/71/62/890437162.db2.gz HICFGHYDNAAKLM-JTQLQIEISA-N 0 3 297.363 -1.227 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1ccn[nH]1 ZINC001420390741 890437197 /nfs/dbraw/zinc/43/71/97/890437197.db2.gz DNYJMSNQPGSVFK-JGVFFNPUSA-N 0 3 296.331 -1.038 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001420392964 890437284 /nfs/dbraw/zinc/43/72/84/890437284.db2.gz CZWDFKKHLMBDCA-VIFPVBQESA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)Cn1ccnc1 ZINC001420383564 890437457 /nfs/dbraw/zinc/43/74/57/890437457.db2.gz BIHLWJOXCGGIQP-RKDXNWHRSA-N 0 3 296.331 -1.439 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001420401064 890437478 /nfs/dbraw/zinc/43/74/78/890437478.db2.gz PWZRGAPWOOCCIQ-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1ccccc1=O ZINC001420365669 890437665 /nfs/dbraw/zinc/43/76/65/890437665.db2.gz GGICMSJWLKPGNZ-ZJUUUORDSA-N 0 3 280.328 -1.184 20 0 CAADHN CCN(CCNC(=O)Cn1ncnn1)CCn1cncn1 ZINC001420386987 890437931 /nfs/dbraw/zinc/43/79/31/890437931.db2.gz LPVHCYIJCUAZGA-UHFFFAOYSA-N 0 3 293.335 -1.597 20 0 CAADHN Cc1cc(=O)c(C(=O)N[C@@H](C)CNCC(N)=O)cn1C ZINC001420426849 890439512 /nfs/dbraw/zinc/43/95/12/890439512.db2.gz GCNFVCUVMCSRHU-QMMMGPOBSA-N 0 3 280.328 -1.113 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1ncn(C)n1 ZINC001420413058 890439708 /nfs/dbraw/zinc/43/97/08/890439708.db2.gz HQWYEKXDESYHMC-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)Cn1ncnn1 ZINC001420423585 890439841 /nfs/dbraw/zinc/43/98/41/890439841.db2.gz SUYOUSVYBPAEKC-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001420444058 890440524 /nfs/dbraw/zinc/44/05/24/890440524.db2.gz DDJMUNYUGBYLOE-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccc2nnnn2c1 ZINC001420446025 890440426 /nfs/dbraw/zinc/44/04/26/890440426.db2.gz FEKZQCNEEPJCSE-ZETCQYMHSA-N 0 3 277.288 -1.683 20 0 CAADHN C[C@H](C[NH2+]CC(=O)N1CCC1)NC(=O)Cc1nnc[n-]1 ZINC001420432816 890441322 /nfs/dbraw/zinc/44/13/22/890441322.db2.gz MZKUDRDUFMEUQC-SECBINFHSA-N 0 3 280.332 -1.326 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1ncn(C)n1 ZINC001420413056 890441763 /nfs/dbraw/zinc/44/17/63/890441763.db2.gz HQWYEKXDESYHMC-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cnnn1C ZINC001420417853 890441778 /nfs/dbraw/zinc/44/17/78/890441778.db2.gz MTMBWQSDQLJCAK-ZETCQYMHSA-N 0 3 297.319 -2.021 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001420435481 890441950 /nfs/dbraw/zinc/44/19/50/890441950.db2.gz XBUKYARMERCDPU-IUCAKERBSA-N 0 3 295.343 -1.248 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001420453913 890443817 /nfs/dbraw/zinc/44/38/17/890443817.db2.gz SESACGJYGVVEDP-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001420474409 890443888 /nfs/dbraw/zinc/44/38/88/890443888.db2.gz CRKPUDPGISKGCP-YUMQZZPRSA-N 0 3 272.349 -1.131 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1coc(C(N)=O)c1 ZINC001420453408 890444155 /nfs/dbraw/zinc/44/41/55/890444155.db2.gz GDEDUBKLQXPRIE-ZETCQYMHSA-N 0 3 282.300 -1.168 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001420462295 890444479 /nfs/dbraw/zinc/44/44/79/890444479.db2.gz DRDZOTHNHUQLKS-JLIMGVALSA-N 0 3 298.343 -1.157 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CCn1ccnc1 ZINC001420460022 890445368 /nfs/dbraw/zinc/44/53/68/890445368.db2.gz FULOANFUNVXLOY-VIFPVBQESA-N 0 3 296.331 -1.438 20 0 CAADHN C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)c1cnon1 ZINC001420481946 890445839 /nfs/dbraw/zinc/44/58/39/890445839.db2.gz IUQYFYZVTMXWMM-VIFPVBQESA-N 0 3 297.315 -1.364 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1nnn(C)n1 ZINC001420458305 890446061 /nfs/dbraw/zinc/44/60/61/890446061.db2.gz JHFNHYVSVDBCSD-YUMQZZPRSA-N 0 3 281.320 -1.851 20 0 CAADHN COC[C@H](OC)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001420471306 890446130 /nfs/dbraw/zinc/44/61/30/890446130.db2.gz PGSRPMSWIKUMDR-YUMQZZPRSA-N 0 3 290.320 -2.063 20 0 CAADHN Cn1cnn(CC(=O)NC[C@@H]2CCCN2CCO)c1=O ZINC001420479047 890446348 /nfs/dbraw/zinc/44/63/48/890446348.db2.gz BSBURTSCDQHERE-JTQLQIEISA-N 0 3 283.332 -1.845 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)Cc1cncn1C ZINC001420504562 890447508 /nfs/dbraw/zinc/44/75/08/890447508.db2.gz HWESWEYYRDZDKS-QMMMGPOBSA-N 0 3 296.331 -1.748 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001420499121 890447838 /nfs/dbraw/zinc/44/78/38/890447838.db2.gz HFWRNINFPNZOJA-RYUDHWBXSA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)CN1CC[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001420516001 890448235 /nfs/dbraw/zinc/44/82/35/890448235.db2.gz KRJAPBNNEIUKGI-SECBINFHSA-N 0 3 280.332 -1.339 20 0 CAADHN NC(=O)CN1CC[C@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001420516001 890448237 /nfs/dbraw/zinc/44/82/37/890448237.db2.gz KRJAPBNNEIUKGI-SECBINFHSA-N 0 3 280.332 -1.339 20 0 CAADHN NC(=O)CN1CC[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001420516006 890448848 /nfs/dbraw/zinc/44/88/48/890448848.db2.gz KRJAPBNNEIUKGI-VIFPVBQESA-N 0 3 280.332 -1.339 20 0 CAADHN NC(=O)CN1CC[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001420516006 890448855 /nfs/dbraw/zinc/44/88/55/890448855.db2.gz KRJAPBNNEIUKGI-VIFPVBQESA-N 0 3 280.332 -1.339 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420509703 890450076 /nfs/dbraw/zinc/45/00/76/890450076.db2.gz FQDCDHIKCYPRGY-VHSXEESVSA-N 0 3 296.375 -1.346 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420509703 890450083 /nfs/dbraw/zinc/45/00/83/890450083.db2.gz FQDCDHIKCYPRGY-VHSXEESVSA-N 0 3 296.375 -1.346 20 0 CAADHN CCN1CCO[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC)C1 ZINC001420511607 890450194 /nfs/dbraw/zinc/45/01/94/890450194.db2.gz FQEXZUDEALKUGY-WDEREUQCSA-N 0 3 286.376 -1.453 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cccn(C)c1=O ZINC001420501033 890450222 /nfs/dbraw/zinc/45/02/22/890450222.db2.gz HHAPDLQFWIEABZ-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cccn(C)c1=O ZINC001420503617 890450671 /nfs/dbraw/zinc/45/06/71/890450671.db2.gz OKVVMYMYIMQPEA-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001420634885 890452134 /nfs/dbraw/zinc/45/21/34/890452134.db2.gz CMRUZFMEUYWUHK-IUCAKERBSA-N 0 3 281.378 -1.647 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001420634878 890452870 /nfs/dbraw/zinc/45/28/70/890452870.db2.gz CMRUZFMEUYWUHK-BDAKNGLRSA-N 0 3 281.378 -1.647 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001420602996 890454177 /nfs/dbraw/zinc/45/41/77/890454177.db2.gz SLNDUPZAHAUTMR-JTQLQIEISA-N 0 3 285.348 -1.335 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001420656896 890457536 /nfs/dbraw/zinc/45/75/36/890457536.db2.gz DVFCJLKBMUCLTA-SNVBAGLBSA-N 0 3 299.375 -1.027 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N[C@H](C)CN(C)CCO ZINC001420642675 890457981 /nfs/dbraw/zinc/45/79/81/890457981.db2.gz DRGKTAWJFCHPPO-SNVBAGLBSA-N 0 3 295.405 -1.303 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001420714889 890460005 /nfs/dbraw/zinc/46/00/05/890460005.db2.gz LOYNAZAGMJUQCY-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001420713999 890459802 /nfs/dbraw/zinc/45/98/02/890459802.db2.gz LUIDKHCCXNYWOF-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@]1(C)CCC(=O)N1)C(N)=O ZINC001420720710 890459917 /nfs/dbraw/zinc/45/99/17/890459917.db2.gz BWJHNYNCNDAMDQ-UFBFGSQYSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](NC[C@H](NC(=O)CN1CCOCC1)C1CC1)C(N)=O ZINC001420721203 890459959 /nfs/dbraw/zinc/45/99/59/890459959.db2.gz GDUSHIKIULQWIF-JQWIXIFHSA-N 0 3 298.387 -1.323 20 0 CAADHN Cc1nnc(CC(=O)N[C@@H](CNCC(N)=O)C2CC2)o1 ZINC001420732974 890460760 /nfs/dbraw/zinc/46/07/60/890460760.db2.gz GTYZRQUFDILQSH-VIFPVBQESA-N 0 3 281.316 -1.110 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ncccn1)C(=O)NC(N)=O ZINC001420736953 890460142 /nfs/dbraw/zinc/46/01/42/890460142.db2.gz RKBFTBWORUBRGZ-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)c1nccnc1N ZINC001420711417 890460176 /nfs/dbraw/zinc/46/01/76/890460176.db2.gz CJWJCBCVOQKKBJ-VIFPVBQESA-N 0 3 292.343 -1.049 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001420736866 890460256 /nfs/dbraw/zinc/46/02/56/890460256.db2.gz BZYQPRFAZQGMDD-ZETCQYMHSA-N 0 3 280.350 -2.543 20 0 CAADHN CCCNC(=O)[C@H](C)NCCN(C)C(=O)Cn1ncnn1 ZINC001420719403 890460390 /nfs/dbraw/zinc/46/03/90/890460390.db2.gz XDOZZVBAOABEAY-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001420721489 890460501 /nfs/dbraw/zinc/46/05/01/890460501.db2.gz AYBCTPDQULLVKA-SCZZXKLOSA-N 0 3 272.349 -1.177 20 0 CAADHN COC(=O)NCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001420737582 890460570 /nfs/dbraw/zinc/46/05/70/890460570.db2.gz UCXBFRIKIIGAMQ-NXEZZACHSA-N 0 3 298.343 -1.285 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cnnn1C)C(=O)NC(N)=O ZINC001420717770 890460589 /nfs/dbraw/zinc/46/05/89/890460589.db2.gz QIXNQZJQEDUYGM-ZETCQYMHSA-N 0 3 297.319 -1.940 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)C1CN(C(C)=O)C1)C1CC1 ZINC001420738415 890460633 /nfs/dbraw/zinc/46/06/33/890460633.db2.gz SZXTWBHEDQBVKU-GFCCVEGCSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CC(=O)N(C)C1)C(N)=O ZINC001420721570 890460716 /nfs/dbraw/zinc/46/07/16/890460716.db2.gz ANRUOQOSHLZSOO-BDAKNGLRSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1c[nH]c(=O)cn1)C(=O)N(C)C ZINC001420721931 890460751 /nfs/dbraw/zinc/46/07/51/890460751.db2.gz DESFFTDIUMXATM-SECBINFHSA-N 0 3 295.343 -1.092 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001420720076 890460811 /nfs/dbraw/zinc/46/08/11/890460811.db2.gz YMYIBRXMYACRBG-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)C1CN(C(C)=O)C1)C1CC1 ZINC001420738419 890460838 /nfs/dbraw/zinc/46/08/38/890460838.db2.gz SZXTWBHEDQBVKU-LBPRGKRZSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(N)=O ZINC001420721414 890460891 /nfs/dbraw/zinc/46/08/91/890460891.db2.gz DBIKQMWLKPWNAX-HRDYMLBCSA-N 0 3 286.332 -2.059 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCN(C)C(=O)Cn1ncnn1 ZINC001420719406 890460943 /nfs/dbraw/zinc/46/09/43/890460943.db2.gz XDOZZVBAOABEAY-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001420720082 890461054 /nfs/dbraw/zinc/46/10/54/890461054.db2.gz YMYIBRXMYACRBG-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)c1cc[nH]n1 ZINC001420711868 890461071 /nfs/dbraw/zinc/46/10/71/890461071.db2.gz DZMWQMUJUNBYKK-MRVPVSSYSA-N 0 3 296.331 -1.085 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)c1cnn(C)c1N ZINC001420714385 890461089 /nfs/dbraw/zinc/46/10/89/890461089.db2.gz MSBNSSAPALWZRY-SNVBAGLBSA-N 0 3 294.359 -1.058 20 0 CAADHN C[C@H](C(=O)N[C@H](CNCC(N)=O)C1CC1)n1cncn1 ZINC001420720247 890461139 /nfs/dbraw/zinc/46/11/39/890461139.db2.gz CWPYJRCWOMBZDK-PSASIEDQSA-N 0 3 280.332 -1.191 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1ncnn1)C(=O)N(C)C ZINC001420714581 890461204 /nfs/dbraw/zinc/46/12/04/890461204.db2.gz IHHQEGNUKLXFKM-SECBINFHSA-N 0 3 283.336 -1.802 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001420713992 890461705 /nfs/dbraw/zinc/46/17/05/890461705.db2.gz LUIDKHCCXNYWOF-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](NC(=O)[C@H]1CCCO1)C1CC1 ZINC001420710104 890461776 /nfs/dbraw/zinc/46/17/76/890461776.db2.gz PEDGCYBBBOINQJ-NXEZZACHSA-N 0 3 298.343 -1.155 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CNC(=O)C1CC1)C(N)=O ZINC001420712188 890462061 /nfs/dbraw/zinc/46/20/61/890462061.db2.gz FUWSIFJVVXNJOT-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CS(C)(=O)=O)C(=O)N(C)C ZINC001420716384 890462087 /nfs/dbraw/zinc/46/20/87/890462087.db2.gz QPLCYBPBMUHNMI-SECBINFHSA-N 0 3 293.389 -1.444 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)C(N)=O ZINC001420735951 890462228 /nfs/dbraw/zinc/46/22/28/890462228.db2.gz STNNJKJFILJPTI-VHSXEESVSA-N 0 3 299.375 -1.301 20 0 CAADHN C[C@H](NCCN(C)C(=O)CNC(=O)C1CC1)C(N)=O ZINC001420712195 890462373 /nfs/dbraw/zinc/46/23/73/890462373.db2.gz FUWSIFJVVXNJOT-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN Cn1ccc(CC(=O)N[C@H](CNCC(N)=O)C2CC2)n1 ZINC001420744911 890462442 /nfs/dbraw/zinc/46/24/42/890462442.db2.gz SLTSEBHLROKAPL-LLVKDONJSA-N 0 3 279.344 -1.068 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001420828951 890463162 /nfs/dbraw/zinc/46/31/62/890463162.db2.gz WUPFYFJJFFGWCB-NXEZZACHSA-N 0 3 295.347 -1.625 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001420757583 890463297 /nfs/dbraw/zinc/46/32/97/890463297.db2.gz DIOMORGJUUWNTH-QWRGUYRKSA-N 0 3 284.360 -1.129 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1ccn(C)c(=O)c1 ZINC001420752719 890463362 /nfs/dbraw/zinc/46/33/62/890463362.db2.gz XMUKAURBASCOKJ-LLVKDONJSA-N 0 3 292.339 -1.065 20 0 CAADHN CCN1CCO[C@H](C(=O)N(C)CCN[C@@H](C)C(N)=O)C1 ZINC001420746163 890463771 /nfs/dbraw/zinc/46/37/71/890463771.db2.gz RKRNACODBPLDAZ-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001420828953 890463705 /nfs/dbraw/zinc/46/37/05/890463705.db2.gz WUPFYFJJFFGWCB-UWVGGRQHSA-N 0 3 295.347 -1.625 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001420746199 890463859 /nfs/dbraw/zinc/46/38/59/890463859.db2.gz NMIGHAVMPXINEJ-IUCAKERBSA-N 0 3 285.348 -1.549 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1ccn(C)c(=O)c1 ZINC001420752723 890464447 /nfs/dbraw/zinc/46/44/47/890464447.db2.gz XMUKAURBASCOKJ-NSHDSACASA-N 0 3 292.339 -1.065 20 0 CAADHN CCN1CCO[C@@H](C(=O)N(C)CCN[C@@H](C)C(N)=O)C1 ZINC001420746170 890464725 /nfs/dbraw/zinc/46/47/25/890464725.db2.gz RKRNACODBPLDAZ-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)CCn1cnnn1)C1CC1)C(N)=O ZINC001420788219 890465027 /nfs/dbraw/zinc/46/50/27/890465027.db2.gz IEOTWILMCJYGBL-SCZZXKLOSA-N 0 3 295.347 -1.579 20 0 CAADHN CCN1CCO[C@@H](C(=O)N(C)CCN[C@H](C)C(N)=O)C1 ZINC001420746146 890465265 /nfs/dbraw/zinc/46/52/65/890465265.db2.gz RKRNACODBPLDAZ-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN NC(=O)C[NH2+]C[C@@H](NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001420749301 890466101 /nfs/dbraw/zinc/46/61/01/890466101.db2.gz LXAIZEQPFDMION-SECBINFHSA-N 0 3 279.300 -1.235 20 0 CAADHN NC(=O)N1CC[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC001420930698 890471395 /nfs/dbraw/zinc/47/13/95/890471395.db2.gz NOZOBBABRUOEFL-NWDGAFQWSA-N 0 3 295.387 -1.107 20 0 CAADHN NC(=O)N1CC[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC001420930705 890472267 /nfs/dbraw/zinc/47/22/67/890472267.db2.gz NOZOBBABRUOEFL-RYUDHWBXSA-N 0 3 295.387 -1.107 20 0 CAADHN CN(CCN1CCN(CCO)CC1)C(=O)Cc1nnc[nH]1 ZINC001420904557 890473590 /nfs/dbraw/zinc/47/35/90/890473590.db2.gz HRFHMXQLMFXOEV-UHFFFAOYSA-N 0 3 296.375 -1.585 20 0 CAADHN O=C(NCC1(N[C@@H]2CCCNC2=O)CC1)[C@@H]1COC(=O)N1 ZINC001420934850 890475946 /nfs/dbraw/zinc/47/59/46/890475946.db2.gz ZRWNCNVZQSRHRI-BDAKNGLRSA-N 0 3 296.327 -1.388 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001420962954 890476103 /nfs/dbraw/zinc/47/61/03/890476103.db2.gz PCEHFJZFQGVDRD-CIUDSAMLSA-N 0 3 285.348 -1.502 20 0 CAADHN O=C(NCC1(N[C@@H]2CCCNC2=O)CC1)[C@H]1COC(=O)N1 ZINC001420934867 890476251 /nfs/dbraw/zinc/47/62/51/890476251.db2.gz ZRWNCNVZQSRHRI-RKDXNWHRSA-N 0 3 296.327 -1.388 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001420971431 890477122 /nfs/dbraw/zinc/47/71/22/890477122.db2.gz CDXINRPTCVJNMG-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN COC[C@H](O)CN1CC(N(C)C(=O)CCc2cnn[nH]2)C1 ZINC001421081844 890484760 /nfs/dbraw/zinc/48/47/60/890484760.db2.gz RRXVWYFYIMDLJK-GFCCVEGCSA-N 0 3 297.359 -1.113 20 0 CAADHN C[C@@H](O)CCCN1CC(CNC(=O)Cn2ncnn2)C1 ZINC001421125402 890487429 /nfs/dbraw/zinc/48/74/29/890487429.db2.gz IAQISRBUXCETSL-SNVBAGLBSA-N 0 3 282.348 -1.118 20 0 CAADHN CNC(=O)CCCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001421119149 890487517 /nfs/dbraw/zinc/48/75/17/890487517.db2.gz KKGNYXKMCILZDF-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CS(=O)(=O)NCCC(=O)NCC1CN(CCCO)C1 ZINC001421134369 890487628 /nfs/dbraw/zinc/48/76/28/890487628.db2.gz AXYAOJFGIFOIBH-UHFFFAOYSA-N 0 3 293.389 -1.644 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001421140751 890487727 /nfs/dbraw/zinc/48/77/27/890487727.db2.gz WDRDZJFDOOMWEM-VXGBXAGGSA-N 0 3 299.371 -1.480 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001421137683 890487745 /nfs/dbraw/zinc/48/77/45/890487745.db2.gz QVUZTJDXHOIKEM-VHSXEESVSA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)c1ncn(C)n1 ZINC001421114274 890488412 /nfs/dbraw/zinc/48/84/12/890488412.db2.gz SEWHOGGXMNEAEG-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1COCCO1 ZINC001421108364 890488729 /nfs/dbraw/zinc/48/87/29/890488729.db2.gz WZVSOUXUZOMECN-VHSXEESVSA-N 0 3 271.317 -1.532 20 0 CAADHN CC(=O)N1CCC[C@@H]1CNCC(=O)N1CCNC(=O)C1 ZINC001421117774 890488645 /nfs/dbraw/zinc/48/86/45/890488645.db2.gz XUWKMXMLUNWSHY-LLVKDONJSA-N 0 3 282.344 -1.455 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001421140749 890488820 /nfs/dbraw/zinc/48/88/20/890488820.db2.gz WDRDZJFDOOMWEM-RYUDHWBXSA-N 0 3 299.371 -1.480 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)Cn1cnnn1)C1CCCC1 ZINC001421146454 890488851 /nfs/dbraw/zinc/48/88/51/890488851.db2.gz ASVHGMLCAJZMBE-SNVBAGLBSA-N 0 3 295.347 -1.577 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)c1nccnc1N ZINC001421115610 890489005 /nfs/dbraw/zinc/48/90/05/890489005.db2.gz GEERMQOTFRTFJV-VIFPVBQESA-N 0 3 292.343 -1.001 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001421140746 890489103 /nfs/dbraw/zinc/48/91/03/890489103.db2.gz WDRDZJFDOOMWEM-NWDGAFQWSA-N 0 3 299.371 -1.480 20 0 CAADHN COCCN1CC[C@](C)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001421216918 890492214 /nfs/dbraw/zinc/49/22/14/890492214.db2.gz HNCCPOZOHAHROV-AWEZNQCLSA-N 0 3 298.387 -1.355 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CCCO2)CCOCC1 ZINC001421296589 890494195 /nfs/dbraw/zinc/49/41/95/890494195.db2.gz HQRVZQSJGVSVKL-JTQLQIEISA-N 0 3 285.344 -1.094 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001421262146 890494887 /nfs/dbraw/zinc/49/48/87/890494887.db2.gz VUNYOKSSUIPHTD-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@H]1COC(=O)N1 ZINC001421353322 890498435 /nfs/dbraw/zinc/49/84/35/890498435.db2.gz GGPJPYPPUUWDBL-LDYMZIIASA-N 0 3 273.289 -2.360 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)N[C@H]1CCNC1=O ZINC001421362233 890498797 /nfs/dbraw/zinc/49/87/97/890498797.db2.gz FFRGIAIUVLYGOX-BDAKNGLRSA-N 0 3 281.320 -1.954 20 0 CAADHN Cc1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)ncn1 ZINC001421360107 890498970 /nfs/dbraw/zinc/49/89/70/890498970.db2.gz UWCNEQSUKRZTEA-ZDUSSCGKSA-N 0 3 280.328 -1.056 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@@H]1COC(=O)N1 ZINC001421353313 890500675 /nfs/dbraw/zinc/50/06/75/890500675.db2.gz GGPJPYPPUUWDBL-GZMMTYOYSA-N 0 3 273.289 -2.360 20 0 CAADHN O=C(CC1OCCCO1)NC[C@@]1(O)CCN(CCO)C1 ZINC001421350775 890500714 /nfs/dbraw/zinc/50/07/14/890500714.db2.gz SSFVOFWTIJZUKU-ZDUSSCGKSA-N 0 3 288.344 -1.315 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001421347917 890501083 /nfs/dbraw/zinc/50/10/83/890501083.db2.gz LPFMPZFQSQENJT-FZMZJTMJSA-N 0 3 299.371 -1.336 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cnn2cc[nH]c12 ZINC001421384995 890503841 /nfs/dbraw/zinc/50/38/41/890503841.db2.gz AYEPJUDHPPTRPB-ZDUSSCGKSA-N 0 3 293.327 -1.179 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1ccc(=O)[nH]c1 ZINC001421390181 890503869 /nfs/dbraw/zinc/50/38/69/890503869.db2.gz HOIDUCIZVCJJMC-ZDUSSCGKSA-N 0 3 281.312 -1.054 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@@H]1CNC(=O)N1 ZINC001421376853 890504228 /nfs/dbraw/zinc/50/42/28/890504228.db2.gz MPMDLYDAGSSIRP-GZMMTYOYSA-N 0 3 272.305 -2.787 20 0 CAADHN CC[C@@H](CNC(C)=O)NCC(=O)N1CCNC(=O)C1 ZINC001421371784 890504395 /nfs/dbraw/zinc/50/43/95/890504395.db2.gz ZBATUQXKQODKOQ-JTQLQIEISA-N 0 3 270.333 -1.551 20 0 CAADHN Cn1ncc(CCC(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001421376083 890504926 /nfs/dbraw/zinc/50/49/26/890504926.db2.gz QSMCQLWPMAWUIK-ZDUSSCGKSA-N 0 3 297.359 -1.707 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)OC)NCC(=O)N(C)C ZINC001421395462 890505005 /nfs/dbraw/zinc/50/50/05/890505005.db2.gz SWCMLSBCGOFYSS-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN O=C(NC[C@]1(O)CC[N@@H+](CCO)C1)c1cnc[n-]c1=O ZINC001421371424 890505189 /nfs/dbraw/zinc/50/51/89/890505189.db2.gz VGRJTFRZIHDROH-GFCCVEGCSA-N 0 3 282.300 -1.659 20 0 CAADHN O=C(NC[C@]1(O)CC[N@H+](CCO)C1)c1cnc[n-]c1=O ZINC001421371424 890505193 /nfs/dbraw/zinc/50/51/93/890505193.db2.gz VGRJTFRZIHDROH-GFCCVEGCSA-N 0 3 282.300 -1.659 20 0 CAADHN Cn1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)[nH]c1=O ZINC001421373685 890505223 /nfs/dbraw/zinc/50/52/23/890505223.db2.gz FWRVWGMMAVBXIV-GFCCVEGCSA-N 0 3 284.316 -1.715 20 0 CAADHN O=C(CCc1cncnc1)NC[C@@]1(O)CCN(CCO)C1 ZINC001421382147 890505232 /nfs/dbraw/zinc/50/52/32/890505232.db2.gz SHIVPQBYBLMSOF-AWEZNQCLSA-N 0 3 294.355 -1.046 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)OC)NCC(=O)N(C)C ZINC001421395466 890505238 /nfs/dbraw/zinc/50/52/38/890505238.db2.gz SWCMLSBCGOFYSS-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001421384801 890505358 /nfs/dbraw/zinc/50/53/58/890505358.db2.gz BTTHMNLBNXCSIL-ZDUSSCGKSA-N 0 3 297.359 -1.235 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@]2(O)CCN(CCO)C2)[nH]1 ZINC001421375269 890505526 /nfs/dbraw/zinc/50/55/26/890505526.db2.gz OQOSCHHZXRMFLU-CYBMUJFWSA-N 0 3 296.327 -1.728 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@H]1CNC(=O)N1 ZINC001421376858 890505610 /nfs/dbraw/zinc/50/56/10/890505610.db2.gz MPMDLYDAGSSIRP-KCJUWKMLSA-N 0 3 272.305 -2.787 20 0 CAADHN CC[C@@H](CNC(=O)CS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001421399298 890507837 /nfs/dbraw/zinc/50/78/37/890507837.db2.gz ZLUVFTQTVXWFIQ-YUMQZZPRSA-N 0 3 279.362 -1.611 20 0 CAADHN Cn1nc(C(=O)NC[C@@]2(O)CCN(CCO)C2)ccc1=O ZINC001421396069 890508765 /nfs/dbraw/zinc/50/87/65/890508765.db2.gz RLVKATZBWXYGEF-ZDUSSCGKSA-N 0 3 296.327 -2.061 20 0 CAADHN CC[C@@H](CNC(=O)CCS(C)(=O)=O)NCC(=O)NC ZINC001421420469 890510156 /nfs/dbraw/zinc/51/01/56/890510156.db2.gz RLNQBWRIEZDVOT-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN O=C(NCC1(O)CN(CCCO)C1)c1[nH]ncc1F ZINC001421488899 890512704 /nfs/dbraw/zinc/51/27/04/890512704.db2.gz UUNDXWCNQFCOOA-UHFFFAOYSA-N 0 3 272.280 -1.292 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cncn1)N[C@H]1CCN(C)C1=O ZINC001421479509 890513290 /nfs/dbraw/zinc/51/32/90/890513290.db2.gz UMLHPPDTCUWMFM-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CC[C@H](CNC(=O)Cn1cncn1)N[C@H]1CCN(C)C1=O ZINC001421479508 890513827 /nfs/dbraw/zinc/51/38/27/890513827.db2.gz UMLHPPDTCUWMFM-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CC[C@H](CNC(=O)Cn1cncn1)N[C@@H]1CCN(C)C1=O ZINC001421479507 890514909 /nfs/dbraw/zinc/51/49/09/890514909.db2.gz UMLHPPDTCUWMFM-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001421550536 890516662 /nfs/dbraw/zinc/51/66/62/890516662.db2.gz BACBIUKGLBBJEN-YMTOWFKASA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001421552433 890516545 /nfs/dbraw/zinc/51/65/45/890516545.db2.gz GLVFIDGDYPLCKT-PELKAZGASA-N 0 3 284.316 -1.545 20 0 CAADHN CNC(=O)C[NH2+]C[C@@](C)(NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001421571559 890516629 /nfs/dbraw/zinc/51/66/29/890516629.db2.gz ORMVDABJUGKGOH-CYBMUJFWSA-N 0 3 294.359 -1.032 20 0 CAADHN CN1C[C@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)NC1=O ZINC001421571863 890517846 /nfs/dbraw/zinc/51/78/46/890517846.db2.gz ZMOUNENOHLEDMD-RNCFNFMXSA-N 0 3 297.359 -1.630 20 0 CAADHN CNC(=O)C[NH2+]C[C@](C)(NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001421571569 890518057 /nfs/dbraw/zinc/51/80/57/890518057.db2.gz ORMVDABJUGKGOH-ZDUSSCGKSA-N 0 3 294.359 -1.032 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCCN1C(C)=O)NCC(N)=O ZINC001421503619 890518165 /nfs/dbraw/zinc/51/81/65/890518165.db2.gz UQYYOTIRIYBCHM-GHMZBOCLSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cnco1 ZINC001421633434 890519547 /nfs/dbraw/zinc/51/95/47/890519547.db2.gz BQKOKVWAMCTARU-SECBINFHSA-N 0 3 284.316 -1.167 20 0 CAADHN CC[C@@H]([NH2+]CCN(CCO)C(=O)c1nc[n-]n1)C(N)=O ZINC001421632627 890519842 /nfs/dbraw/zinc/51/98/42/890519842.db2.gz DUODJCZKVKTCNB-MRVPVSSYSA-N 0 3 284.320 -1.907 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N(CCO)CCN[C@H]1CCNC1=O ZINC001421638144 890519937 /nfs/dbraw/zinc/51/99/37/890519937.db2.gz SRPAAIRRHRLVAF-VHSXEESVSA-N 0 3 298.343 -2.436 20 0 CAADHN Cc1c(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)nnn1C ZINC001421633791 890520185 /nfs/dbraw/zinc/52/01/85/890520185.db2.gz HNEPAAZGFNPEBE-QMMMGPOBSA-N 0 3 298.347 -1.979 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cnn(C)c1)C(N)=O ZINC001421637280 890520236 /nfs/dbraw/zinc/52/02/36/890520236.db2.gz FCEQMAKICSAMRN-NSHDSACASA-N 0 3 297.359 -1.292 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cnn(C)n1 ZINC001421635956 890520419 /nfs/dbraw/zinc/52/04/19/890520419.db2.gz PDWBGFSIHXQGSE-VIFPVBQESA-N 0 3 298.347 -2.026 20 0 CAADHN O=C(c1cccnn1)N(CCO)CCN[C@H]1CCNC1=O ZINC001421637720 890520764 /nfs/dbraw/zinc/52/07/64/890520764.db2.gz UJEIDSNMQKOELX-JTQLQIEISA-N 0 3 293.327 -1.611 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ccnnc1)C(N)=O ZINC001421638766 890520880 /nfs/dbraw/zinc/52/08/80/890520880.db2.gz YKAUXOPLVISNHA-VIFPVBQESA-N 0 3 281.316 -1.626 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1nc[nH]n1)C(N)=O ZINC001421634428 890521289 /nfs/dbraw/zinc/52/12/89/890521289.db2.gz LYEKPYODZVXCLG-SSDOTTSWSA-N 0 3 270.293 -2.297 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001421638140 890522648 /nfs/dbraw/zinc/52/26/48/890522648.db2.gz SRPAAIRRHRLVAF-NXEZZACHSA-N 0 3 298.343 -2.436 20 0 CAADHN COCC(=O)N(CCO)CCN[C@H]1CCCN(C)C1=O ZINC001421636160 890523027 /nfs/dbraw/zinc/52/30/27/890523027.db2.gz CMSICLRQGKHWKR-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cnnn1C)C(N)=O ZINC001421633085 890523016 /nfs/dbraw/zinc/52/30/16/890523016.db2.gz CUYUIRPQMXJXEE-SECBINFHSA-N 0 3 298.347 -1.897 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)[C@@H]2CCOC2)C1=O ZINC001421640549 890524037 /nfs/dbraw/zinc/52/40/37/890524037.db2.gz KHAALDIPXMJMBI-NEPJUHHUSA-N 0 3 299.371 -1.336 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001421646394 890524189 /nfs/dbraw/zinc/52/41/89/890524189.db2.gz VTODMIQGWRUPKQ-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN O=C(c1cnco1)N(CCO)CCN[C@H]1CCNC1=O ZINC001421644687 890525248 /nfs/dbraw/zinc/52/52/48/890525248.db2.gz XTGAJLAFLYPDNV-VIFPVBQESA-N 0 3 282.300 -1.413 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001421668288 890525354 /nfs/dbraw/zinc/52/53/54/890525354.db2.gz XNWXXVNINIRBGB-AXFHLTTASA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@H]1CCOC1 ZINC001421646092 890525533 /nfs/dbraw/zinc/52/55/33/890525533.db2.gz VVWXKFNNUMTPEJ-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cn[nH]c1 ZINC001421645387 890525599 /nfs/dbraw/zinc/52/55/99/890525599.db2.gz VDDNBVVHWRYKAJ-VIFPVBQESA-N 0 3 283.332 -1.432 20 0 CAADHN CCN1CC[C@H](NCCN(CCO)C(=O)COC)C1=O ZINC001421640639 890525621 /nfs/dbraw/zinc/52/56/21/890525621.db2.gz LKCNVCSXTDJNHY-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)[C@@H]2CCOC2)C1=O ZINC001421640555 890525851 /nfs/dbraw/zinc/52/58/51/890525851.db2.gz KHAALDIPXMJMBI-VXGBXAGGSA-N 0 3 299.371 -1.336 20 0 CAADHN C[C@@H](NC[C@H]1CCCCN1C(=O)Cn1ncnn1)C(N)=O ZINC001421700036 890528805 /nfs/dbraw/zinc/52/88/05/890528805.db2.gz DYVHWAFSCKUWFJ-NXEZZACHSA-N 0 3 295.347 -1.482 20 0 CAADHN CC(=O)NCC(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001421725455 890529524 /nfs/dbraw/zinc/52/95/24/890529524.db2.gz SCTZVZWETKTVPR-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)CNC1(CNC(=O)c2nnn(C)n2)CCC1 ZINC001421762153 890530622 /nfs/dbraw/zinc/53/06/22/890530622.db2.gz CSWCYHSWSHICMQ-UHFFFAOYSA-N 0 3 281.320 -1.802 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CCNC(=O)NC)CCC1 ZINC001421736985 890531964 /nfs/dbraw/zinc/53/19/64/890531964.db2.gz CBVWWKYICKOODI-UHFFFAOYSA-N 0 3 299.375 -1.320 20 0 CAADHN C[C@@H](C(=O)NCC1(NCC(N)=O)CCC1)n1cncn1 ZINC001421735658 890531677 /nfs/dbraw/zinc/53/16/77/890531677.db2.gz HTPPRAICFPLMJI-VIFPVBQESA-N 0 3 280.332 -1.047 20 0 CAADHN NC(=O)C1(O)CCN(C[C@H](O)C2(O)CCOCC2)CC1 ZINC001421764667 890531850 /nfs/dbraw/zinc/53/18/50/890531850.db2.gz DZRPPANVXYCKCR-JTQLQIEISA-N 0 3 288.344 -1.799 20 0 CAADHN CC(=O)NCC1(NCC(=O)N2CCNC(=O)C2)CCCC1 ZINC001421797863 890534503 /nfs/dbraw/zinc/53/45/03/890534503.db2.gz KJKQNFDHIHKJOG-UHFFFAOYSA-N 0 3 296.371 -1.017 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001421812393 890534901 /nfs/dbraw/zinc/53/49/01/890534901.db2.gz AJDAEKLQYWICSU-NSHDSACASA-N 0 3 295.343 -1.485 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1)C(N)=O ZINC001421796363 890535131 /nfs/dbraw/zinc/53/51/31/890535131.db2.gz GHAVYZXHFBAHFX-BDAKNGLRSA-N 0 3 281.316 -1.286 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CCc2cn[nH]c2)CCO1 ZINC001421825644 890535280 /nfs/dbraw/zinc/53/52/80/890535280.db2.gz RAVXCPFKPPQWLS-LLVKDONJSA-N 0 3 295.343 -1.355 20 0 CAADHN CCn1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)cn1 ZINC001421801622 890535577 /nfs/dbraw/zinc/53/55/77/890535577.db2.gz LQVWQWYIQFNJRL-NSHDSACASA-N 0 3 295.343 -1.181 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)Cn2ccnc2)CCO1)C(N)=O ZINC001421825120 890535678 /nfs/dbraw/zinc/53/56/78/890535678.db2.gz JRPMDCKZNMDRRO-QWRGUYRKSA-N 0 3 295.343 -1.426 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001421796267 890535710 /nfs/dbraw/zinc/53/57/10/890535710.db2.gz VDRTYORTJRJTME-SECBINFHSA-N 0 3 296.331 -2.008 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CCn2ccnn2)CCO1 ZINC001421793437 890536054 /nfs/dbraw/zinc/53/60/54/890536054.db2.gz NYWXZYUPXHEEEF-JTQLQIEISA-N 0 3 296.331 -2.030 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CCc2cn[nH]c2)CCO1 ZINC001421825650 890536120 /nfs/dbraw/zinc/53/61/20/890536120.db2.gz RAVXCPFKPPQWLS-NSHDSACASA-N 0 3 295.343 -1.355 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CCOC2)CCO1 ZINC001421798015 890536199 /nfs/dbraw/zinc/53/61/99/890536199.db2.gz YVQSOGWXLSBKSS-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001421796382 890536337 /nfs/dbraw/zinc/53/63/37/890536337.db2.gz VDRTYORTJRJTME-VIFPVBQESA-N 0 3 296.331 -2.008 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1nccnc1N ZINC001421866216 890536548 /nfs/dbraw/zinc/53/65/48/890536548.db2.gz AGEAWALJINFHSL-QMMMGPOBSA-N 0 3 280.332 -1.145 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCO1 ZINC001421804570 890536632 /nfs/dbraw/zinc/53/66/32/890536632.db2.gz PBSJSDRISOREIE-KXNHARMFSA-N 0 3 297.355 -1.144 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1)C(N)=O ZINC001421819155 890536639 /nfs/dbraw/zinc/53/66/39/890536639.db2.gz JXHOUENXGSTBTK-SFYZADRCSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2nc[n-]n2)CCO1)C(N)=O ZINC001421819155 890536640 /nfs/dbraw/zinc/53/66/40/890536640.db2.gz JXHOUENXGSTBTK-SFYZADRCSA-N 0 3 282.304 -1.891 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cnns2)CCO1 ZINC001421793999 890536647 /nfs/dbraw/zinc/53/66/47/890536647.db2.gz CHCBOOMGCRJLKJ-MRVPVSSYSA-N 0 3 299.356 -1.285 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CCOC2)CCO1 ZINC001421798013 890536658 /nfs/dbraw/zinc/53/66/58/890536658.db2.gz YVQSOGWXLSBKSS-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001421808567 890536700 /nfs/dbraw/zinc/53/67/00/890536700.db2.gz NKDMSIHERFCKPX-JTQLQIEISA-N 0 3 295.343 -1.403 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2ccon2)CCO1 ZINC001421809716 890536805 /nfs/dbraw/zinc/53/68/05/890536805.db2.gz XQAIQXQCOKYYQV-VIFPVBQESA-N 0 3 282.300 -1.149 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)c1cn(C)nn1 ZINC001421878131 890538111 /nfs/dbraw/zinc/53/81/11/890538111.db2.gz QPOWBHDFHQPRNI-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCn1ccnn1 ZINC001421899149 890538334 /nfs/dbraw/zinc/53/83/34/890538334.db2.gz VOXJPXCKLGNOPY-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NC ZINC001421890037 890538642 /nfs/dbraw/zinc/53/86/42/890538642.db2.gz NYOWSHSDVWHCPC-DTWKUNHWSA-N 0 3 287.364 -1.514 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001421886866 890538718 /nfs/dbraw/zinc/53/87/18/890538718.db2.gz HOOFCVMKXNYBNM-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001421896550 890539675 /nfs/dbraw/zinc/53/96/75/890539675.db2.gz KXMJDOFJWRRZEZ-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)CNC(C)=O ZINC001421881573 890540529 /nfs/dbraw/zinc/54/05/29/890540529.db2.gz OVNFBXFOLJFLQW-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)c1cc[nH]n1 ZINC001421889531 890540226 /nfs/dbraw/zinc/54/02/26/890540226.db2.gz ZFRBVZGEIBUFCV-QMMMGPOBSA-N 0 3 296.331 -1.085 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001421913404 890540541 /nfs/dbraw/zinc/54/05/41/890540541.db2.gz QXUMYIAXIRLWOE-SECBINFHSA-N 0 3 295.343 -1.051 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001421976352 890541989 /nfs/dbraw/zinc/54/19/89/890541989.db2.gz CTQQSLFZPXHEHI-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)c1nnn(C)n1 ZINC001421948905 890542154 /nfs/dbraw/zinc/54/21/54/890542154.db2.gz VZIYPZLPKAOXNA-MRVPVSSYSA-N 0 3 283.336 -1.652 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)c1nnn(C)n1 ZINC001421938379 890542512 /nfs/dbraw/zinc/54/25/12/890542512.db2.gz KAMARIRZZSEERD-BDAKNGLRSA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001421947845 890542584 /nfs/dbraw/zinc/54/25/84/890542584.db2.gz YRLZZJKURGCCOE-RKDXNWHRSA-N 0 3 291.373 -1.657 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001421945037 890542720 /nfs/dbraw/zinc/54/27/20/890542720.db2.gz OIHYZYFMQXBQMA-GDPRMGEGSA-N 0 3 296.371 -1.177 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001421937062 890543188 /nfs/dbraw/zinc/54/31/88/890543188.db2.gz ZXPCBJWPLUMMKF-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001421947836 890544250 /nfs/dbraw/zinc/54/42/50/890544250.db2.gz YRLZZJKURGCCOE-BDAKNGLRSA-N 0 3 291.373 -1.657 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001421947840 890544445 /nfs/dbraw/zinc/54/44/45/890544445.db2.gz YRLZZJKURGCCOE-DTWKUNHWSA-N 0 3 291.373 -1.657 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)c1nnn(C)n1 ZINC001421938405 890544517 /nfs/dbraw/zinc/54/45/17/890544517.db2.gz KAMARIRZZSEERD-IUCAKERBSA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001421942346 890544545 /nfs/dbraw/zinc/54/45/45/890544545.db2.gz QUVPVKCQBLSRJE-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)N(C)C(=O)Cn1cncn1 ZINC001421994436 890546553 /nfs/dbraw/zinc/54/65/53/890546553.db2.gz QXPDQGMTLMPXHE-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CC(=O)NCC(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001421988927 890546839 /nfs/dbraw/zinc/54/68/39/890546839.db2.gz ZOEVDRVPOOVFSR-UHFFFAOYSA-N 0 3 286.332 -2.137 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)Cn1cncn1 ZINC001422001822 890546878 /nfs/dbraw/zinc/54/68/78/890546878.db2.gz ZZDYYJLUNXFHPF-NXEZZACHSA-N 0 3 280.332 -1.397 20 0 CAADHN C[C@H]1CN(C(=O)c2ccon2)C[C@H]1NCC(=O)NC(N)=O ZINC001422036038 890547547 /nfs/dbraw/zinc/54/75/47/890547547.db2.gz VKNBWQLNGLIXFQ-IONNQARKSA-N 0 3 295.299 -1.080 20 0 CAADHN OCC1(CO)CCN(C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC001422048468 890547971 /nfs/dbraw/zinc/54/79/71/890547971.db2.gz KXIUMPSGGIQWPP-WCQYABFASA-N 0 3 275.345 -1.435 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccon2)C[C@@H]1NCC(=O)NC(N)=O ZINC001422036034 890548108 /nfs/dbraw/zinc/54/81/08/890548108.db2.gz VKNBWQLNGLIXFQ-APPZFPTMSA-N 0 3 295.299 -1.080 20 0 CAADHN CC(C)[C@@H](CNC(=O)CCc1nnc[n-]1)[NH2+]CC(N)=O ZINC001422075462 890549400 /nfs/dbraw/zinc/54/94/00/890549400.db2.gz GRVMGNNQASZORQ-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)Cc2cnoc2)CC1 ZINC001422107802 890549873 /nfs/dbraw/zinc/54/98/73/890549873.db2.gz POVZPHZKVSPKPN-UHFFFAOYSA-N 0 3 296.327 -1.355 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)NCC(N)=O ZINC001422110816 890549919 /nfs/dbraw/zinc/54/99/19/890549919.db2.gz RNTAEIRUXCUKEC-NXEZZACHSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(C)[C@H](CNC(=O)c1cn(C)c(=O)n1C)NCC(N)=O ZINC001422138946 890550019 /nfs/dbraw/zinc/55/00/19/890550019.db2.gz UFYMHCKXOXONKS-VIFPVBQESA-N 0 3 297.359 -1.447 20 0 CAADHN C[C@@H](NCC1(O)CCN(C(=O)[C@H]2CCCO2)CC1)C(N)=O ZINC001422092397 890550627 /nfs/dbraw/zinc/55/06/27/890550627.db2.gz HMLJNXFAAHPUCG-GHMZBOCLSA-N 0 3 299.371 -1.018 20 0 CAADHN CC(C)[C@@H](CNC(=O)CCc1cn(C)nn1)NCC(N)=O ZINC001422138488 890550765 /nfs/dbraw/zinc/55/07/65/890550765.db2.gz GYEXIGYKQARYIJ-LLVKDONJSA-N 0 3 296.375 -1.037 20 0 CAADHN CC(C)[C@H](CNC(=O)CCc1nnc[n-]1)[NH2+]CC(N)=O ZINC001422075467 890551503 /nfs/dbraw/zinc/55/15/03/890551503.db2.gz GRVMGNNQASZORQ-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 ZINC001422190443 890552648 /nfs/dbraw/zinc/55/26/48/890552648.db2.gz KDPTYVKIVAGTBA-SNVBAGLBSA-N 0 3 297.359 -1.247 20 0 CAADHN O=C(CCn1cncn1)NC1(CO)CCN(CCO)CC1 ZINC001422197496 890553488 /nfs/dbraw/zinc/55/34/88/890553488.db2.gz RKZDDTQREVPKQZ-UHFFFAOYSA-N 0 3 297.359 -1.396 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)c2cnn(C)n2)CC1 ZINC001422190434 890553654 /nfs/dbraw/zinc/55/36/54/890553654.db2.gz KDPTYVKIVAGTBA-JTQLQIEISA-N 0 3 297.359 -1.247 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@@H]1CCC(=O)N1 ZINC001422191563 890554191 /nfs/dbraw/zinc/55/41/91/890554191.db2.gz GDRZVFBCOBLZRY-JTQLQIEISA-N 0 3 285.344 -1.800 20 0 CAADHN CNC(=O)NC(=O)CCN1CC[C@@](O)(C(=O)OC)C1 ZINC001422177169 890554715 /nfs/dbraw/zinc/55/47/15/890554715.db2.gz SJTFISUJYGTHQL-NSHDSACASA-N 0 3 273.289 -1.558 20 0 CAADHN COCC(=O)N(C)CC(=O)N(C)CCN(C)C[C@@H](C)O ZINC001422164641 890555454 /nfs/dbraw/zinc/55/54/54/890555454.db2.gz WUQMYOZHBNFINX-LLVKDONJSA-N 0 3 289.376 -1.138 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1n[nH]c(C)c1C)C(N)=O ZINC001422262124 890557243 /nfs/dbraw/zinc/55/72/43/890557243.db2.gz DYHYMQAITLAIAC-NXEZZACHSA-N 0 3 297.359 -1.029 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CC1CCOCC1)C(N)=O ZINC001422264211 890557452 /nfs/dbraw/zinc/55/74/52/890557452.db2.gz JYWUSGLAVAPYHM-MWLCHTKSSA-N 0 3 287.360 -1.256 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CNC(=O)c2cocn2)C1=O ZINC001422263511 890557536 /nfs/dbraw/zinc/55/75/36/890557536.db2.gz IPSLWRXVPXVQFT-UWVGGRQHSA-N 0 3 296.327 -1.024 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)cn1 ZINC001422261401 890557839 /nfs/dbraw/zinc/55/78/39/890557839.db2.gz ANJJJRIZBIVBQE-MNOVXSKESA-N 0 3 295.343 -1.621 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)cn1 ZINC001422262661 890557930 /nfs/dbraw/zinc/55/79/30/890557930.db2.gz DDRPPVXDKSRQIR-NXEZZACHSA-N 0 3 281.316 -2.011 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC)cn1 ZINC001422262438 890558149 /nfs/dbraw/zinc/55/81/49/890558149.db2.gz FNSCJRUCXRAOQQ-ONGXEEELSA-N 0 3 297.359 -1.282 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)cn1 ZINC001422261409 890558551 /nfs/dbraw/zinc/55/85/51/890558551.db2.gz ANJJJRIZBIVBQE-WDEREUQCSA-N 0 3 295.343 -1.621 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CNC(=O)c2cocn2)C1=O ZINC001422263515 890558580 /nfs/dbraw/zinc/55/85/80/890558580.db2.gz IPSLWRXVPXVQFT-VHSXEESVSA-N 0 3 296.327 -1.024 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1n[nH]c(C)c1C)C(N)=O ZINC001422262126 890558813 /nfs/dbraw/zinc/55/88/13/890558813.db2.gz DYHYMQAITLAIAC-UWVGGRQHSA-N 0 3 297.359 -1.029 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)cn1 ZINC001422262676 890558902 /nfs/dbraw/zinc/55/89/02/890558902.db2.gz DDRPPVXDKSRQIR-ZJUUUORDSA-N 0 3 281.316 -2.011 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CNC(=O)c2cocn2)C1=O ZINC001422263519 890558943 /nfs/dbraw/zinc/55/89/43/890558943.db2.gz IPSLWRXVPXVQFT-ZJUUUORDSA-N 0 3 296.327 -1.024 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)cn1 ZINC001422261404 890559379 /nfs/dbraw/zinc/55/93/79/890559379.db2.gz ANJJJRIZBIVBQE-QWRGUYRKSA-N 0 3 295.343 -1.621 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001422264175 890559505 /nfs/dbraw/zinc/55/95/05/890559505.db2.gz INYSTWUVONNYAL-JTQLQIEISA-N 0 3 283.332 -1.764 20 0 CAADHN Cc1nn(CC(=O)N(C)CCN(C)C[C@H](C)O)c(=O)n1C ZINC001422221679 890559565 /nfs/dbraw/zinc/55/95/65/890559565.db2.gz ATJHSCLZNHOKEY-JTQLQIEISA-N 0 3 299.375 -1.339 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001422270701 890561045 /nfs/dbraw/zinc/56/10/45/890561045.db2.gz FYRAQHXJYJQULK-MNOVXSKESA-N 0 3 287.360 -1.243 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001422270456 890561082 /nfs/dbraw/zinc/56/10/82/890561082.db2.gz FMINXUZVBKFUNE-MRVPVSSYSA-N 0 3 285.308 -3.172 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1)NC1CC1 ZINC001422265368 890561226 /nfs/dbraw/zinc/56/12/26/890561226.db2.gz MFNUGESUUVHSPI-VHSXEESVSA-N 0 3 298.343 -2.390 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1cocn1 ZINC001422267400 890561645 /nfs/dbraw/zinc/56/16/45/890561645.db2.gz RMYNFCKFWWPSFP-RKDXNWHRSA-N 0 3 282.300 -1.367 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CC ZINC001422267508 890561776 /nfs/dbraw/zinc/56/17/76/890561776.db2.gz JPTQLNNCTXDOPA-DTWKUNHWSA-N 0 3 288.348 -1.303 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001422270715 890562030 /nfs/dbraw/zinc/56/20/30/890562030.db2.gz FYRAQHXJYJQULK-WDEREUQCSA-N 0 3 287.360 -1.243 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)Cc1ccon1 ZINC001422268682 890562287 /nfs/dbraw/zinc/56/22/87/890562287.db2.gz UJYAQPBSVHPNOK-LLVKDONJSA-N 0 3 298.343 -1.192 20 0 CAADHN Cc1cccc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1 ZINC001422271264 890562518 /nfs/dbraw/zinc/56/25/18/890562518.db2.gz BBULHXBDWDSGFX-QWRGUYRKSA-N 0 3 292.339 -1.041 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)Cc2ccon2)n[nH]1 ZINC001422267079 890562596 /nfs/dbraw/zinc/56/25/96/890562596.db2.gz QRQIWRNGRRAINN-JTQLQIEISA-N 0 3 294.315 -1.089 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)cn1 ZINC001422267427 890563328 /nfs/dbraw/zinc/56/33/28/890563328.db2.gz RIAMGYOHVORQRB-LLVKDONJSA-N 0 3 295.343 -1.667 20 0 CAADHN Cc1cccc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1 ZINC001422269839 890563382 /nfs/dbraw/zinc/56/33/82/890563382.db2.gz BBULHXBDWDSGFX-MNOVXSKESA-N 0 3 292.339 -1.041 20 0 CAADHN COC[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001422265477 890563550 /nfs/dbraw/zinc/56/35/50/890563550.db2.gz MPDQCPLTQFXPOM-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)C(F)F)C1CC1 ZINC001422279824 890564572 /nfs/dbraw/zinc/56/45/72/890564572.db2.gz UIGRXWHYJHUYBM-MRVPVSSYSA-N 0 3 279.287 -1.061 20 0 CAADHN CCOCC(=O)NC[C@H](O)CNCC(=O)NC(=O)NC ZINC001422286281 890564730 /nfs/dbraw/zinc/56/47/30/890564730.db2.gz XORCBTZBPWXYAW-MRVPVSSYSA-N 0 3 290.320 -2.455 20 0 CAADHN O=C(COCC1CC1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001422280516 890564854 /nfs/dbraw/zinc/56/48/54/890564854.db2.gz BXJPHEOWYXPIGI-RYUDHWBXSA-N 0 3 299.371 -1.242 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@](C)(O)C1CC1 ZINC001422282585 890564947 /nfs/dbraw/zinc/56/49/47/890564947.db2.gz OCPXCPOJJJASPL-MFKMUULPSA-N 0 3 287.360 -1.650 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(C)nc1 ZINC001422277007 890565098 /nfs/dbraw/zinc/56/50/98/890565098.db2.gz JSXPTNHLLPNMAX-LLVKDONJSA-N 0 3 280.328 -1.184 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)n1cccc1 ZINC001422282613 890565174 /nfs/dbraw/zinc/56/51/74/890565174.db2.gz OKPAEMQNNDAVBN-GHMZBOCLSA-N 0 3 282.344 -1.138 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)o1 ZINC001422281378 890565218 /nfs/dbraw/zinc/56/52/18/890565218.db2.gz YVPWQSCJOHOMKF-NXEZZACHSA-N 0 3 296.327 -1.140 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001422286844 890565235 /nfs/dbraw/zinc/56/52/35/890565235.db2.gz LJUGQOFOHDGALK-QMMMGPOBSA-N 0 3 295.361 -2.766 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C(F)F)N1CCOCC1 ZINC001422284742 890565410 /nfs/dbraw/zinc/56/54/10/890565410.db2.gz ZRYLWGMXFWSFJT-QMMMGPOBSA-N 0 3 295.286 -1.823 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccn[nH]1)C(=O)NC1CC1 ZINC001422282390 890565432 /nfs/dbraw/zinc/56/54/32/890565432.db2.gz DGFRIESSELGWPF-PSASIEDQSA-N 0 3 295.343 -1.243 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cn[nH]c1)C(=O)N(C)C ZINC001422285984 890565645 /nfs/dbraw/zinc/56/56/45/890565645.db2.gz HAMFHTVPXGACNS-WCBMZHEXSA-N 0 3 283.332 -1.433 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001422277333 890565950 /nfs/dbraw/zinc/56/59/50/890565950.db2.gz AAJPRFCJFLTVKE-PSASIEDQSA-N 0 3 296.327 -1.398 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)o1 ZINC001422281413 890566049 /nfs/dbraw/zinc/56/60/49/890566049.db2.gz YVPWQSCJOHOMKF-VHSXEESVSA-N 0 3 296.327 -1.140 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccccn1)N1CCC1 ZINC001422286282 890566077 /nfs/dbraw/zinc/56/60/77/890566077.db2.gz SGDNTPURWUJCJK-NSHDSACASA-N 0 3 292.339 -1.006 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cc(C)on1)C(N)=O ZINC001422281322 890566146 /nfs/dbraw/zinc/56/61/46/890566146.db2.gz RDGUVZGLTVZUSH-RKDXNWHRSA-N 0 3 284.316 -1.073 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCC(=O)NC1CCCC1 ZINC001422284489 890566155 /nfs/dbraw/zinc/56/61/55/890566155.db2.gz YOSIZHCPJYCSML-NSHDSACASA-N 0 3 287.360 -1.242 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cccnc1 ZINC001422277741 890566228 /nfs/dbraw/zinc/56/62/28/890566228.db2.gz GAGOHRCAGUKTPW-LLVKDONJSA-N 0 3 280.328 -1.102 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001422280093 890566354 /nfs/dbraw/zinc/56/63/54/890566354.db2.gz WYQDJNZXNABDCR-ZJUUUORDSA-N 0 3 296.327 -1.058 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@](C)(O)C1CC1 ZINC001422282581 890566499 /nfs/dbraw/zinc/56/64/99/890566499.db2.gz OCPXCPOJJJASPL-GWCFXTLKSA-N 0 3 287.360 -1.650 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001422280089 890566949 /nfs/dbraw/zinc/56/69/49/890566949.db2.gz WYQDJNZXNABDCR-UWVGGRQHSA-N 0 3 296.327 -1.058 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)n1cccc1 ZINC001422282614 890567037 /nfs/dbraw/zinc/56/70/37/890567037.db2.gz OKPAEMQNNDAVBN-MNOVXSKESA-N 0 3 282.344 -1.138 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2ncn(C)n2)n[nH]1 ZINC001422300714 890568040 /nfs/dbraw/zinc/56/80/40/890568040.db2.gz CMHGSBOHAIQZGA-MRVPVSSYSA-N 0 3 294.319 -1.878 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)on1 ZINC001422299959 890568263 /nfs/dbraw/zinc/56/82/63/890568263.db2.gz QOSBCZLAFOGRPH-RQJHMYQMSA-N 0 3 286.288 -1.763 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001422288503 890568334 /nfs/dbraw/zinc/56/83/34/890568334.db2.gz MXIKMLFOUQARJL-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)on1 ZINC001422299947 890568762 /nfs/dbraw/zinc/56/87/62/890568762.db2.gz QOSBCZLAFOGRPH-NKWVEPMBSA-N 0 3 286.288 -1.763 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001422299092 890569035 /nfs/dbraw/zinc/56/90/35/890569035.db2.gz AHCJWNFUTZKVFK-RQJHMYQMSA-N 0 3 270.293 -2.631 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)no1 ZINC001422288600 890569181 /nfs/dbraw/zinc/56/91/81/890569181.db2.gz ZTYKWDPIVDWUOA-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001422288507 890569224 /nfs/dbraw/zinc/56/92/24/890569224.db2.gz MXIKMLFOUQARJL-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2cnnn2C)C1=O ZINC001422291734 890569779 /nfs/dbraw/zinc/56/97/79/890569779.db2.gz DPNBDRZLRXXZCW-DTWKUNHWSA-N 0 3 296.331 -2.274 20 0 CAADHN CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCNC(=O)C1 ZINC001422292564 890570375 /nfs/dbraw/zinc/57/03/75/890570375.db2.gz SCKBSFZVBMYRHA-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnns1 ZINC001422295854 890570750 /nfs/dbraw/zinc/57/07/50/890570750.db2.gz VIWHGOMFEWZUTN-ZETCQYMHSA-N 0 3 287.345 -1.646 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnns1 ZINC001422295844 890570866 /nfs/dbraw/zinc/57/08/66/890570866.db2.gz VIWHGOMFEWZUTN-SSDOTTSWSA-N 0 3 287.345 -1.646 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001422318477 890571844 /nfs/dbraw/zinc/57/18/44/890571844.db2.gz JXIOJNQZPOHAQG-JTQLQIEISA-N 0 3 298.347 -2.084 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1ccn(C)n1)C(N)=O ZINC001422314020 890571890 /nfs/dbraw/zinc/57/18/90/890571890.db2.gz PCLUVISSRCIVTH-ONGXEEELSA-N 0 3 297.359 -1.707 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1ccn(C)n1)C(N)=O ZINC001422314001 890571966 /nfs/dbraw/zinc/57/19/66/890571966.db2.gz PCLUVISSRCIVTH-KOLCDFICSA-N 0 3 297.359 -1.707 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)CC2(O)CCC2)C1=O ZINC001422302278 890572036 /nfs/dbraw/zinc/57/20/36/890572036.db2.gz FKWNYALQBJYHJY-QWRGUYRKSA-N 0 3 299.371 -1.411 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001422306892 890572054 /nfs/dbraw/zinc/57/20/54/890572054.db2.gz LWISJTSTJUTZRN-VIFPVBQESA-N 0 3 283.332 -1.432 20 0 CAADHN CC[C@@H](F)CNC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001422312875 890572120 /nfs/dbraw/zinc/57/21/20/890572120.db2.gz MFXOBFRBBNBMRM-BDAKNGLRSA-N 0 3 274.300 -1.512 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cn2c(n1)CCC2)C(N)=O ZINC001422310248 890572252 /nfs/dbraw/zinc/57/22/52/890572252.db2.gz IEUUYOJTJPEUIC-BDAKNGLRSA-N 0 3 295.343 -1.617 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001422308748 890572476 /nfs/dbraw/zinc/57/24/76/890572476.db2.gz HADPKPFCWAAKAQ-QMMMGPOBSA-N 0 3 285.308 -3.172 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001422316347 890572610 /nfs/dbraw/zinc/57/26/10/890572610.db2.gz QPANKVGDDOHVIN-DTWKUNHWSA-N 0 3 283.336 -1.708 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001422314670 890572657 /nfs/dbraw/zinc/57/26/57/890572657.db2.gz UNAZFDCQRZVFRW-YUMQZZPRSA-N 0 3 284.320 -2.370 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001422319051 890573061 /nfs/dbraw/zinc/57/30/61/890573061.db2.gz YXDQITOCRBANDD-NTSWFWBYSA-N 0 3 294.258 -2.097 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001422316094 890572901 /nfs/dbraw/zinc/57/29/01/890572901.db2.gz HTYXCBVDQCSVHU-SECBINFHSA-N 0 3 295.343 -1.744 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1ccn(C)n1)C(N)=O ZINC001422314010 890572927 /nfs/dbraw/zinc/57/29/27/890572927.db2.gz PCLUVISSRCIVTH-MWLCHTKSSA-N 0 3 297.359 -1.707 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CN1CCOCC1=O ZINC001422308692 890572950 /nfs/dbraw/zinc/57/29/50/890572950.db2.gz DCBBZSOJQWZLMO-QMMMGPOBSA-N 0 3 288.304 -3.603 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001422306932 890573085 /nfs/dbraw/zinc/57/30/85/890573085.db2.gz CTAZEQFQOOQNSL-SECBINFHSA-N 0 3 299.335 -2.736 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)CC2(O)CCC2)C1=O ZINC001422302276 890573785 /nfs/dbraw/zinc/57/37/85/890573785.db2.gz FKWNYALQBJYHJY-MNOVXSKESA-N 0 3 299.371 -1.411 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CC1(O)CCC1)C(N)=O ZINC001422306304 890573556 /nfs/dbraw/zinc/57/35/56/890573556.db2.gz KXSPGKGAMCTMMJ-IUCAKERBSA-N 0 3 273.333 -1.768 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001422314665 890573659 /nfs/dbraw/zinc/57/36/59/890573659.db2.gz UNAZFDCQRZVFRW-SFYZADRCSA-N 0 3 284.320 -2.370 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnnn1CC)C(N)=O ZINC001422304108 890573805 /nfs/dbraw/zinc/57/38/05/890573805.db2.gz IHRJVZGYEQPQQJ-BDAKNGLRSA-N 0 3 298.347 -1.758 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001422309237 890573861 /nfs/dbraw/zinc/57/38/61/890573861.db2.gz BUMCIVBXGYILJE-JGVFFNPUSA-N 0 3 291.373 -1.740 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](O)CNCc1ccnn1C ZINC001422318483 890573958 /nfs/dbraw/zinc/57/39/58/890573958.db2.gz JXIOJNQZPOHAQG-SNVBAGLBSA-N 0 3 298.347 -2.084 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnnn1CC)C(N)=O ZINC001422304112 890574389 /nfs/dbraw/zinc/57/43/89/890574389.db2.gz IHRJVZGYEQPQQJ-IUCAKERBSA-N 0 3 298.347 -1.758 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)[C@]23C[C@H]2COC3)n[nH]1 ZINC001422310620 890574437 /nfs/dbraw/zinc/57/44/37/890574437.db2.gz GSWHSBKBAIFAKK-KWBADKCTSA-N 0 3 295.343 -1.284 20 0 CAADHN CC[C@@H](F)CNC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001422312885 890574456 /nfs/dbraw/zinc/57/44/56/890574456.db2.gz MFXOBFRBBNBMRM-RKDXNWHRSA-N 0 3 274.300 -1.512 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1nnc(C)o1 ZINC001422312051 890574525 /nfs/dbraw/zinc/57/45/25/890574525.db2.gz RMCVQHDCQSXVJQ-SECBINFHSA-N 0 3 299.331 -1.877 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](O)CNCC(N)=O)CCC(=O)NC1 ZINC001422339647 890575473 /nfs/dbraw/zinc/57/54/73/890575473.db2.gz MBZBSVYOWDWVRA-QPUJVOFHSA-N 0 3 286.332 -2.545 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1cc[nH]c1 ZINC001422322519 890575633 /nfs/dbraw/zinc/57/56/33/890575633.db2.gz QZXSRXKYQQNSAM-MNOVXSKESA-N 0 3 280.328 -1.026 20 0 CAADHN COc1ccc(CC(=O)NC[C@@H](O)CNCC(N)=O)nc1 ZINC001422333365 890575936 /nfs/dbraw/zinc/57/59/36/890575936.db2.gz COAFKMBBLRXQAM-JTQLQIEISA-N 0 3 296.327 -1.815 20 0 CAADHN Cc1cc(CNC[C@@H](O)CNC(=O)c2cn[nH]n2)nn1C ZINC001422335516 890576076 /nfs/dbraw/zinc/57/60/76/890576076.db2.gz XWUCTTGWMVPNMP-SNVBAGLBSA-N 0 3 293.331 -1.273 20 0 CAADHN C[C@]1(C(=O)NC[C@H](O)CNCC(N)=O)CCC(=O)NC1 ZINC001422339124 890576142 /nfs/dbraw/zinc/57/61/42/890576142.db2.gz MBZBSVYOWDWVRA-PELKAZGASA-N 0 3 286.332 -2.545 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1c[nH]nc1C)C(N)=O ZINC001422339379 890576398 /nfs/dbraw/zinc/57/63/98/890576398.db2.gz BOOGMUJUYCYCEU-SCZZXKLOSA-N 0 3 283.332 -1.338 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)CC1 ZINC001422332460 890576953 /nfs/dbraw/zinc/57/69/53/890576953.db2.gz PHGWTENPDKPBAX-LLVKDONJSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1cc[nH]c1 ZINC001422322513 890577085 /nfs/dbraw/zinc/57/70/85/890577085.db2.gz QZXSRXKYQQNSAM-GHMZBOCLSA-N 0 3 280.328 -1.026 20 0 CAADHN CCOc1nc(C(=O)NC[C@@H](O)CNCC(N)=O)co1 ZINC001422323014 890577395 /nfs/dbraw/zinc/57/73/95/890577395.db2.gz CXKRRZKJSDEFCR-ZETCQYMHSA-N 0 3 286.288 -1.761 20 0 CAADHN Cc1cc(CNC[C@H](O)CNC(=O)c2cn[nH]n2)nn1C ZINC001422335512 890577502 /nfs/dbraw/zinc/57/75/02/890577502.db2.gz XWUCTTGWMVPNMP-JTQLQIEISA-N 0 3 293.331 -1.273 20 0 CAADHN COC[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001422323041 890577554 /nfs/dbraw/zinc/57/75/54/890577554.db2.gz HOADKPMLPCNEDK-DTWKUNHWSA-N 0 3 284.316 -1.103 20 0 CAADHN COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001422323044 890577706 /nfs/dbraw/zinc/57/77/06/890577706.db2.gz HOADKPMLPCNEDK-IUCAKERBSA-N 0 3 284.316 -1.103 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1(COC)CCC1 ZINC001422335914 890577782 /nfs/dbraw/zinc/57/77/82/890577782.db2.gz TUAAKNFAFRYOQQ-JTQLQIEISA-N 0 3 287.360 -1.384 20 0 CAADHN O=C(NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)c1cnc[n-]c1=O ZINC001422324557 890577863 /nfs/dbraw/zinc/57/78/63/890577863.db2.gz IXPAOSIFXVMGSG-CBAPKCEASA-N 0 3 295.299 -2.249 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1(COC)CCC1 ZINC001422335921 890577977 /nfs/dbraw/zinc/57/79/77/890577977.db2.gz TUAAKNFAFRYOQQ-SNVBAGLBSA-N 0 3 287.360 -1.384 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cn1cncc1C ZINC001422334520 890578010 /nfs/dbraw/zinc/57/80/10/890578010.db2.gz SLPYEDSGSPYJLD-GHMZBOCLSA-N 0 3 297.359 -1.607 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2cnco2)C1=O ZINC001422338236 890578038 /nfs/dbraw/zinc/57/80/38/890578038.db2.gz FAUXEHNKACRISS-BDAKNGLRSA-N 0 3 282.300 -1.414 20 0 CAADHN C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001422320374 890578058 /nfs/dbraw/zinc/57/80/58/890578058.db2.gz FWSJXOOLMFQBGP-SFYZADRCSA-N 0 3 270.289 -1.757 20 0 CAADHN O=C(NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)c1cnc[n-]c1=O ZINC001422324560 890578150 /nfs/dbraw/zinc/57/81/50/890578150.db2.gz IXPAOSIFXVMGSG-IONNQARKSA-N 0 3 295.299 -2.249 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)CNCc1ccns1 ZINC001422357800 890579174 /nfs/dbraw/zinc/57/91/74/890579174.db2.gz GHAQZHHSPBEHIU-QNSHHTMESA-N 0 3 298.368 -1.169 20 0 CAADHN CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001422353890 890579310 /nfs/dbraw/zinc/57/93/10/890579310.db2.gz SNEYTKKFLQEVJY-JTQLQIEISA-N 0 3 297.359 -1.196 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001422356715 890579351 /nfs/dbraw/zinc/57/93/51/890579351.db2.gz NAKSJQNKSWFVAZ-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1n[nH]cc1F ZINC001422350970 890579683 /nfs/dbraw/zinc/57/96/83/890579683.db2.gz VHCYAAJRPUSWIO-SSDOTTSWSA-N 0 3 287.295 -1.635 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001422347334 890579778 /nfs/dbraw/zinc/57/97/78/890579778.db2.gz WXHVPRNIPLUNMM-YBXAARCKSA-N 0 3 281.356 -1.012 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1ccccn1 ZINC001422347584 890579801 /nfs/dbraw/zinc/57/98/01/890579801.db2.gz IHYLESHGTDDCEB-GFCCVEGCSA-N 0 3 294.355 -1.173 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cnco1 ZINC001422350350 890579847 /nfs/dbraw/zinc/57/98/47/890579847.db2.gz JBLKTPMUBJDUKO-BQBZGAKWSA-N 0 3 283.288 -1.034 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001422347325 890579972 /nfs/dbraw/zinc/57/99/72/890579972.db2.gz LGEKEPBEIYNMGY-QMMMGPOBSA-N 0 3 283.332 -1.602 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422356824 890579983 /nfs/dbraw/zinc/57/99/83/890579983.db2.gz NZQIIBXRUBEXMB-NDBYEHHHSA-N 0 3 294.355 -1.121 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)CNCc1ccns1 ZINC001422357801 890580136 /nfs/dbraw/zinc/58/01/36/890580136.db2.gz GHAQZHHSPBEHIU-SFGNSQDASA-N 0 3 298.368 -1.169 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001422351092 890580157 /nfs/dbraw/zinc/58/01/57/890580157.db2.gz VURKMQWMJHBNHR-ZETCQYMHSA-N 0 3 285.304 -2.448 20 0 CAADHN Cc1ncccc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001422349192 890580272 /nfs/dbraw/zinc/58/02/72/890580272.db2.gz SDFZFGZQJYMEBA-JQWIXIFHSA-N 0 3 292.339 -1.041 20 0 CAADHN Cc1ncccc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001422349189 890580371 /nfs/dbraw/zinc/58/03/71/890580371.db2.gz SDFZFGZQJYMEBA-CMPLNLGQSA-N 0 3 292.339 -1.041 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1n[nH]cc1F ZINC001422350973 890580431 /nfs/dbraw/zinc/58/04/31/890580431.db2.gz VHCYAAJRPUSWIO-ZETCQYMHSA-N 0 3 287.295 -1.635 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCn1ccnc1)C(N)=O ZINC001422353981 890580462 /nfs/dbraw/zinc/58/04/62/890580462.db2.gz WRPNIMKYGOKXFB-ZJUUUORDSA-N 0 3 283.332 -1.786 20 0 CAADHN Cc1cc(C)c(C(=O)NC[C@@H](O)CNCC(N)=O)c(=O)[nH]1 ZINC001422352482 890580868 /nfs/dbraw/zinc/58/08/68/890580868.db2.gz UCOFCJQERUUEAK-VIFPVBQESA-N 0 3 296.327 -1.430 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001422356639 890580958 /nfs/dbraw/zinc/58/09/58/890580958.db2.gz MRGKOEIURYFLLS-GJMOJQLCSA-N 0 3 272.305 -2.096 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCS(C)(=O)=O ZINC001422348241 890581001 /nfs/dbraw/zinc/58/10/01/890581001.db2.gz NDIYUMIITWCSQV-QMMMGPOBSA-N 0 3 295.361 -2.766 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001422355474 890581372 /nfs/dbraw/zinc/58/13/72/890581372.db2.gz SURWWRSODHWGFE-MWLCHTKSSA-N 0 3 295.343 -1.371 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001422359503 890581456 /nfs/dbraw/zinc/58/14/56/890581456.db2.gz XIFKAYCSJINTED-KOLCDFICSA-N 0 3 295.343 -1.323 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnco1)N1CCCC1 ZINC001422345276 890581550 /nfs/dbraw/zinc/58/15/50/890581550.db2.gz MHQFFLUHHZLROT-SNVBAGLBSA-N 0 3 296.327 -1.023 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1Cc2ccccc21 ZINC001422347160 890581584 /nfs/dbraw/zinc/58/15/84/890581584.db2.gz PDBKRABYSZCZGA-PWSUYJOCSA-N 0 3 277.324 -1.122 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2ncccn2)C1=O ZINC001422380007 890582725 /nfs/dbraw/zinc/58/27/25/890582725.db2.gz KRXGDNVNKDAHLN-ZJUUUORDSA-N 0 3 293.327 -1.612 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001422369878 890582772 /nfs/dbraw/zinc/58/27/72/890582772.db2.gz QFTBYZRYSMJHNB-RXMQYKEDSA-N 0 3 291.258 -1.487 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccnnc1)NC1CC1 ZINC001422360147 890582896 /nfs/dbraw/zinc/58/28/96/890582896.db2.gz CZVBYLZUKAQDAG-LLVKDONJSA-N 0 3 293.327 -1.565 20 0 CAADHN Cc1conc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001422378652 890582942 /nfs/dbraw/zinc/58/29/42/890582942.db2.gz JLBKTEVFWHVGJJ-RKDXNWHRSA-N 0 3 282.300 -1.448 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001422365371 890583017 /nfs/dbraw/zinc/58/30/17/890583017.db2.gz YKNQCPZQGMKEHQ-QCNOEVLYSA-N 0 3 299.371 -1.243 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001422360562 890583115 /nfs/dbraw/zinc/58/31/15/890583115.db2.gz SHTRPERJALLYQZ-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN Cc1ncccc1CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001422369691 890583195 /nfs/dbraw/zinc/58/31/95/890583195.db2.gz PNPOFPHEWGPGIK-ZYHUDNBSSA-N 0 3 294.355 -1.127 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnn2c1CCCC2 ZINC001422371773 890583543 /nfs/dbraw/zinc/58/35/43/890583543.db2.gz CPZWWSBMGFSMQO-SECBINFHSA-N 0 3 295.343 -1.615 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001422365369 890583622 /nfs/dbraw/zinc/58/36/22/890583622.db2.gz YKNQCPZQGMKEHQ-KKOKHZNYSA-N 0 3 299.371 -1.243 20 0 CAADHN Cc1conc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001422378616 890583751 /nfs/dbraw/zinc/58/37/51/890583751.db2.gz JLBKTEVFWHVGJJ-BDAKNGLRSA-N 0 3 282.300 -1.448 20 0 CAADHN C[C@H](Oc1cccnc1)C(=O)NC[C@H](O)CNCC(N)=O ZINC001422364990 890583975 /nfs/dbraw/zinc/58/39/75/890583975.db2.gz KUXWDSNOEISMEU-VHSXEESVSA-N 0 3 296.327 -1.599 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cccnn1 ZINC001422379852 890584463 /nfs/dbraw/zinc/58/44/63/890584463.db2.gz KDCIZASWZDNCQZ-RKDXNWHRSA-N 0 3 281.316 -1.709 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n(C)n1 ZINC001422381149 890584205 /nfs/dbraw/zinc/58/42/05/890584205.db2.gz MEDCQAIBMQRZFK-SCZZXKLOSA-N 0 3 297.359 -1.463 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCN1CCOCC1 ZINC001422372958 890584556 /nfs/dbraw/zinc/58/45/56/890584556.db2.gz NQWOCMPWETVOSJ-SNVBAGLBSA-N 0 3 288.348 -2.739 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001422360565 890584821 /nfs/dbraw/zinc/58/48/21/890584821.db2.gz SHTRPERJALLYQZ-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN CCc1ncoc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001422365019 890584856 /nfs/dbraw/zinc/58/48/56/890584856.db2.gz KZYRQZBBANCLNW-MRVPVSSYSA-N 0 3 284.316 -1.337 20 0 CAADHN C[C@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001422370203 890585013 /nfs/dbraw/zinc/58/50/13/890585013.db2.gz XWKHPKCHFXNEOR-YUMQZZPRSA-N 0 3 295.347 -1.415 20 0 CAADHN CCn1ccc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)n1 ZINC001422380912 890585328 /nfs/dbraw/zinc/58/53/28/890585328.db2.gz IPBNQQJFSXEIKY-SNVBAGLBSA-N 0 3 297.359 -1.329 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1c[nH]cn1)C(=O)N(C)C ZINC001422379090 890585433 /nfs/dbraw/zinc/58/54/33/890585433.db2.gz XSYUZNPEYAOJTM-MWLCHTKSSA-N 0 3 297.359 -1.504 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001422365301 890585510 /nfs/dbraw/zinc/58/55/10/890585510.db2.gz AWDXTIGWSWXMMW-MRVPVSSYSA-N 0 3 274.321 -2.547 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)n1 ZINC001422367295 890585531 /nfs/dbraw/zinc/58/55/31/890585531.db2.gz GGLUYDMTNVQMIE-VIFPVBQESA-N 0 3 296.331 -2.226 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ncccn1 ZINC001422387226 890586895 /nfs/dbraw/zinc/58/68/95/890586895.db2.gz TUCIQUUIQWFDJF-IUCAKERBSA-N 0 3 279.300 -1.955 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001422387404 890586912 /nfs/dbraw/zinc/58/69/12/890586912.db2.gz URUYNRGHBIYSRL-BDAKNGLRSA-N 0 3 282.300 -1.448 20 0 CAADHN CCn1cnc(C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC)c1 ZINC001422391703 890586945 /nfs/dbraw/zinc/58/69/45/890586945.db2.gz BZBREBMADKYZJC-UWVGGRQHSA-N 0 3 297.359 -1.282 20 0 CAADHN CN(C)c1ccc(C(=O)NC[C@H](O)CNCC(N)=O)cc1 ZINC001422393100 890587034 /nfs/dbraw/zinc/58/70/34/890587034.db2.gz PCDXOWDKAFKDMO-GFCCVEGCSA-N 0 3 294.355 -1.082 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccncn1)NC1CC1 ZINC001422391309 890587049 /nfs/dbraw/zinc/58/70/49/890587049.db2.gz XNXNAHDADYXXMF-SNVBAGLBSA-N 0 3 293.327 -1.565 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1nonc1C ZINC001422398966 890587336 /nfs/dbraw/zinc/58/73/36/890587336.db2.gz VKCTXJXIRLCNOT-SECBINFHSA-N 0 3 299.331 -1.877 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC001422401068 890587401 /nfs/dbraw/zinc/58/74/01/890587401.db2.gz FYXZUQKKAYXXQP-BDAKNGLRSA-N 0 3 299.331 -1.465 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cccnn1 ZINC001422384218 890588401 /nfs/dbraw/zinc/58/84/01/890588401.db2.gz RFJVMWLHMGJVFK-SECBINFHSA-N 0 3 281.316 -1.707 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001422387409 890588466 /nfs/dbraw/zinc/58/84/66/890588466.db2.gz URUYNRGHBIYSRL-IUCAKERBSA-N 0 3 282.300 -1.448 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ncccn1 ZINC001422386235 890588574 /nfs/dbraw/zinc/58/85/74/890588574.db2.gz TUCIQUUIQWFDJF-BDAKNGLRSA-N 0 3 279.300 -1.955 20 0 CAADHN CN(C)c1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)cc1 ZINC001422393103 890588633 /nfs/dbraw/zinc/58/86/33/890588633.db2.gz PCDXOWDKAFKDMO-LBPRGKRZSA-N 0 3 294.355 -1.082 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccncn1)NC1CC1 ZINC001422391304 890588656 /nfs/dbraw/zinc/58/86/56/890588656.db2.gz XNXNAHDADYXXMF-JTQLQIEISA-N 0 3 293.327 -1.565 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C ZINC001422401080 890588707 /nfs/dbraw/zinc/58/87/07/890588707.db2.gz FYXZUQKKAYXXQP-RKDXNWHRSA-N 0 3 299.331 -1.465 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)CN2CCCC2)nn1 ZINC001422401917 890588760 /nfs/dbraw/zinc/58/87/60/890588760.db2.gz HPVCPEQROHTCRS-GFCCVEGCSA-N 0 3 296.375 -1.522 20 0 CAADHN Cc1oncc1CNC[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001422392196 890588780 /nfs/dbraw/zinc/58/87/80/890588780.db2.gz DFGDJGOTIPUORI-JTQLQIEISA-N 0 3 294.315 -1.089 20 0 CAADHN CC(C)c1nnnn1CC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001422387460 890588794 /nfs/dbraw/zinc/58/87/94/890588794.db2.gz GZSONEYBSUMPQT-DTWKUNHWSA-N 0 3 297.363 -1.235 20 0 CAADHN CCn1cnc(C(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC)c1 ZINC001422391705 890588859 /nfs/dbraw/zinc/58/88/59/890588859.db2.gz BZBREBMADKYZJC-VHSXEESVSA-N 0 3 297.359 -1.282 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC ZINC001422394701 890588882 /nfs/dbraw/zinc/58/88/82/890588882.db2.gz CHBILXBQVCGFPT-BDAKNGLRSA-N 0 3 297.359 -1.213 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ncccn1 ZINC001422386240 890588966 /nfs/dbraw/zinc/58/89/66/890588966.db2.gz TUCIQUUIQWFDJF-DTWKUNHWSA-N 0 3 279.300 -1.955 20 0 CAADHN Cc1nocc1CNC[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001422399242 890589110 /nfs/dbraw/zinc/58/91/10/890589110.db2.gz NBQVBJDQXUBRMD-JTQLQIEISA-N 0 3 294.315 -1.089 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccnc(C)n1 ZINC001422409247 890590132 /nfs/dbraw/zinc/59/01/32/890590132.db2.gz KCIAQXHHLCQREK-VIFPVBQESA-N 0 3 281.316 -1.789 20 0 CAADHN CN(C)c1ccnc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001422404969 890590171 /nfs/dbraw/zinc/59/01/71/890590171.db2.gz MAQQFALPRMIXET-JTQLQIEISA-N 0 3 295.343 -1.687 20 0 CAADHN CCc1noc(C)c1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001422409670 890590626 /nfs/dbraw/zinc/59/06/26/890590626.db2.gz XDWWYXFUNRACPG-QMMMGPOBSA-N 0 3 284.316 -1.289 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](O)CNCc1nnn(C)n1 ZINC001422432965 890590655 /nfs/dbraw/zinc/59/06/55/890590655.db2.gz YCBLCDZOSKLOPQ-JTQLQIEISA-N 0 3 299.379 -1.883 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCNC(N)=O ZINC001422414143 890590757 /nfs/dbraw/zinc/59/07/57/890590757.db2.gz KONHYFUAPSPNOJ-RKDXNWHRSA-N 0 3 287.364 -1.336 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001422403960 890591076 /nfs/dbraw/zinc/59/10/76/890591076.db2.gz MJELFTYQHFMFQG-SNVBAGLBSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cn1cncn1 ZINC001422404901 890591400 /nfs/dbraw/zinc/59/14/00/890591400.db2.gz HJQOFPSAVILBOE-VIFPVBQESA-N 0 3 284.320 -2.567 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CNCC(=O)NC)no1 ZINC001422412715 890591999 /nfs/dbraw/zinc/59/19/99/890591999.db2.gz VDLVNOFZEMFPRA-MRVPVSSYSA-N 0 3 284.316 -1.337 20 0 CAADHN CC(C)(C)C(=O)NCC(=O)NC[C@H](O)CNCC(N)=O ZINC001422402897 890592013 /nfs/dbraw/zinc/59/20/13/890592013.db2.gz KQEAQZSYYNDKAP-MRVPVSSYSA-N 0 3 288.348 -2.299 20 0 CAADHN Cc1nn(C(C)C)cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001422406053 890592634 /nfs/dbraw/zinc/59/26/34/890592634.db2.gz WWALMONXFVHQFB-SNVBAGLBSA-N 0 3 297.359 -1.062 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1COC(=O)N1 ZINC001422438288 890592871 /nfs/dbraw/zinc/59/28/71/890592871.db2.gz FVSHYHNCIVBJEV-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cccn1 ZINC001422454598 890593117 /nfs/dbraw/zinc/59/31/17/890593117.db2.gz HAHVFNXVUWHXCX-BDAKNGLRSA-N 0 3 296.331 -1.439 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)Cn1ncnn1 ZINC001422492331 890593844 /nfs/dbraw/zinc/59/38/44/890593844.db2.gz PPGYFPCHQXWQDO-RKDXNWHRSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)COCc1nccn1C ZINC001422512169 890594788 /nfs/dbraw/zinc/59/47/88/890594788.db2.gz BJVXZSRVMCJLLT-ZJUUUORDSA-N 0 3 297.359 -1.095 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001422472200 890595188 /nfs/dbraw/zinc/59/51/88/890595188.db2.gz BIQUJAWSXBALGA-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1COCCO1 ZINC001422463421 890595455 /nfs/dbraw/zinc/59/54/55/890595455.db2.gz ODDUBSLAOANEBA-KOLCDFICSA-N 0 3 285.344 -1.225 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001422493478 890595800 /nfs/dbraw/zinc/59/58/00/890595800.db2.gz BSUHQUWYMTVYOD-MRVPVSSYSA-N 0 3 297.363 -1.450 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001422514147 890596487 /nfs/dbraw/zinc/59/64/87/890596487.db2.gz IQGUPXJKKRLDQG-OPRDCNLKSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001422501723 890596697 /nfs/dbraw/zinc/59/66/97/890596697.db2.gz TVIBLOCHLHUUHJ-RNFRBKRXSA-N 0 3 277.346 -2.001 20 0 CAADHN COCCN(C)[C@H](C)CNC(=O)CN1CCOCC1=O ZINC001422527317 890596745 /nfs/dbraw/zinc/59/67/45/890596745.db2.gz QGWCMVDPLBFNAU-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001422534976 890596958 /nfs/dbraw/zinc/59/69/58/890596958.db2.gz ISPUECZVRFZHON-UTLUCORTSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)COCc1nccn1C ZINC001422512168 890596992 /nfs/dbraw/zinc/59/69/92/890596992.db2.gz BJVXZSRVMCJLLT-NXEZZACHSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1nnn(C)n1 ZINC001422536554 890597113 /nfs/dbraw/zinc/59/71/13/890597113.db2.gz VFOXIAVSUNTEAL-ZCFIWIBFSA-N 0 3 295.307 -2.460 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H](C)NC(N)=O ZINC001422499826 890597149 /nfs/dbraw/zinc/59/71/49/890597149.db2.gz RDXJBOKTUGAWCG-GJMOJQLCSA-N 0 3 271.321 -1.974 20 0 CAADHN COC[C@@H](C)C(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001422473095 890598017 /nfs/dbraw/zinc/59/80/17/890598017.db2.gz XMUAJHUAFXNCBJ-RKDXNWHRSA-N 0 3 285.348 -1.015 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCNC(=O)NC ZINC001422555740 890598716 /nfs/dbraw/zinc/59/87/16/890598716.db2.gz FELVZBRXHYTMEQ-MRVPVSSYSA-N 0 3 273.337 -1.854 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001422547115 890599080 /nfs/dbraw/zinc/59/90/80/890599080.db2.gz NVKXMCPEGPVGIU-ZDMBXUJBSA-N 0 3 282.344 -1.362 20 0 CAADHN C[C@@H](CNC(=O)CCCS(N)(=O)=O)N(C)CCO ZINC001422549953 890599885 /nfs/dbraw/zinc/59/98/85/890599885.db2.gz IBQLEIUWXQQGGP-VIFPVBQESA-N 0 3 281.378 -1.516 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)c2nnn(C)n2)n[nH]1 ZINC001422545116 890600014 /nfs/dbraw/zinc/60/00/14/890600014.db2.gz XZFCKOTWKHNRKZ-ZCFIWIBFSA-N 0 3 279.308 -1.455 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)NC(=O)c2nnn(C)n2)C1=O ZINC001422543645 890600038 /nfs/dbraw/zinc/60/00/38/890600038.db2.gz NTSKMLMLCZEZPR-BDAKNGLRSA-N 0 3 295.347 -1.461 20 0 CAADHN CCC(=O)N1CC[C@H](C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001422592206 890600353 /nfs/dbraw/zinc/60/03/53/890600353.db2.gz ZEALAZKHIWLLEL-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNCc1ccnn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001422547741 890600718 /nfs/dbraw/zinc/60/07/18/890600718.db2.gz FJRZVNOLTRKNMM-PSASIEDQSA-N 0 3 280.332 -1.304 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cnon1 ZINC001422573893 890600728 /nfs/dbraw/zinc/60/07/28/890600728.db2.gz GBDCTBUNEBXYNL-SSDOTTSWSA-N 0 3 298.303 -1.377 20 0 CAADHN Cc1nocc1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001422554879 890600737 /nfs/dbraw/zinc/60/07/37/890600737.db2.gz URRNDRUZROKTPL-ZCFIWIBFSA-N 0 3 283.288 -1.114 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001422583266 890600769 /nfs/dbraw/zinc/60/07/69/890600769.db2.gz UFTXTRNRNPVCPM-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001422555186 890600825 /nfs/dbraw/zinc/60/08/25/890600825.db2.gz XDMJVFYSIZSPKQ-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN C[C@H](C[NH2+]CC(=O)NC1CC1)NC(=O)Cc1nnc[n-]1 ZINC001422580568 890600988 /nfs/dbraw/zinc/60/09/88/890600988.db2.gz CTJSLWPXJLJMTM-MRVPVSSYSA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001422547114 890601241 /nfs/dbraw/zinc/60/12/41/890601241.db2.gz NVKXMCPEGPVGIU-KKFJDGPESA-N 0 3 282.344 -1.362 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001422539113 890601400 /nfs/dbraw/zinc/60/14/00/890601400.db2.gz ORMUCBJLHQFNLC-SFYZADRCSA-N 0 3 271.321 -2.150 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCC(=O)N1C ZINC001422595037 890601619 /nfs/dbraw/zinc/60/16/19/890601619.db2.gz FJEQDUFRCKABGM-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001422615147 890603274 /nfs/dbraw/zinc/60/32/74/890603274.db2.gz CJVUAAXHPPGXCV-RKDXNWHRSA-N 0 3 297.359 -1.434 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001422625786 890603559 /nfs/dbraw/zinc/60/35/59/890603559.db2.gz RQPPWSUGHNMXKE-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)CCNC(N)=O ZINC001422607157 890603576 /nfs/dbraw/zinc/60/35/76/890603576.db2.gz UDAKAEHMAWEWOE-RKDXNWHRSA-N 0 3 285.348 -1.582 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CN1CCCC1=O ZINC001422625985 890603981 /nfs/dbraw/zinc/60/39/81/890603981.db2.gz WBLKCQGDOSITNL-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001422615553 890604317 /nfs/dbraw/zinc/60/43/17/890604317.db2.gz DXECBLJFEPWVQP-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)CCCC(N)=O ZINC001422618349 890604595 /nfs/dbraw/zinc/60/45/95/890604595.db2.gz UKFMYXCDWYHOTG-MRVPVSSYSA-N 0 3 298.347 -1.642 20 0 CAADHN C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)c1ncc[nH]1 ZINC001422644502 890605743 /nfs/dbraw/zinc/60/57/43/890605743.db2.gz WWXMXDKOTBJITF-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN C[C@@H](CNCc1cncn1C)NC(=O)Cn1ncnn1 ZINC001422646714 890605826 /nfs/dbraw/zinc/60/58/26/890605826.db2.gz QXYHTPRFMHNEGJ-VIFPVBQESA-N 0 3 278.320 -1.299 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001422633753 890605986 /nfs/dbraw/zinc/60/59/86/890605986.db2.gz TYAYTTIYBZWQOX-WCBMZHEXSA-N 0 3 282.344 -1.362 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001422659356 890606142 /nfs/dbraw/zinc/60/61/42/890606142.db2.gz IQGUPXJKKRLDQG-LPEHRKFASA-N 0 3 284.360 -1.116 20 0 CAADHN CCN1CC[C@@H](NC[C@H](C)NC(=O)[C@H](C)NC(N)=O)C1=O ZINC001422643253 890606553 /nfs/dbraw/zinc/60/65/53/890606553.db2.gz YYOXHDTVAASRLD-LPEHRKFASA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cnn2ccncc12 ZINC001422658837 890606582 /nfs/dbraw/zinc/60/65/82/890606582.db2.gz FKAOGEYABFFJMX-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001422643078 890606863 /nfs/dbraw/zinc/60/68/63/890606863.db2.gz MHAQHJLUBYANQM-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001422633651 890606720 /nfs/dbraw/zinc/60/67/20/890606720.db2.gz SSCWCLOZSYUCBT-HBNTYKKESA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001422630380 890606768 /nfs/dbraw/zinc/60/67/68/890606768.db2.gz JONDDQQXWVHSKI-LPEHRKFASA-N 0 3 282.344 -1.362 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001422649057 890606830 /nfs/dbraw/zinc/60/68/30/890606830.db2.gz MOCAKCASHIJKHA-RVBZMBCESA-N 0 3 298.343 -1.427 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1COCCO1 ZINC001422629307 890607533 /nfs/dbraw/zinc/60/75/33/890607533.db2.gz VUWDVURQLNKOQM-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@H](C)OC ZINC001422628358 890607624 /nfs/dbraw/zinc/60/76/24/890607624.db2.gz AMIJMIWVYPTELR-YIZRAAEISA-N 0 3 288.348 -1.040 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCCCS1(=O)=O ZINC001422659940 890607664 /nfs/dbraw/zinc/60/76/64/890607664.db2.gz JOTVNSJNGXBYRN-IUCAKERBSA-N 0 3 291.373 -1.467 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001422657042 890607782 /nfs/dbraw/zinc/60/77/82/890607782.db2.gz YBNWFWDEZHSWKT-IUCAKERBSA-N 0 3 288.348 -1.941 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001422656964 890607821 /nfs/dbraw/zinc/60/78/21/890607821.db2.gz TVIBLOCHLHUUHJ-BQBZGAKWSA-N 0 3 277.346 -2.001 20 0 CAADHN CCN1C[C@H](C(=O)N[C@@H](C)CNCC(N)=O)CC1=O ZINC001422648940 890607837 /nfs/dbraw/zinc/60/78/37/890607837.db2.gz HFCGWIWKNWHQHW-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001422659352 890608035 /nfs/dbraw/zinc/60/80/35/890608035.db2.gz IQGUPXJKKRLDQG-IVZWLZJFSA-N 0 3 284.360 -1.116 20 0 CAADHN CCn1cnc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)c1 ZINC001422734022 890609125 /nfs/dbraw/zinc/60/91/25/890609125.db2.gz MVSIYAUVSRXMSQ-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN CCn1cc(C(=O)N[C@@H](C)CN[C@H]2CCNC2=O)nn1 ZINC001422725131 890609272 /nfs/dbraw/zinc/60/92/72/890609272.db2.gz WGZSXTUICQZZGE-IUCAKERBSA-N 0 3 280.332 -1.106 20 0 CAADHN CC(=O)N[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)C(C)C ZINC001422731251 890609658 /nfs/dbraw/zinc/60/96/58/890609658.db2.gz RPXCUZVTATYIBB-GZMMTYOYSA-N 0 3 272.349 -1.273 20 0 CAADHN COC[C@@H](O)CN1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001422736725 890609421 /nfs/dbraw/zinc/60/94/21/890609421.db2.gz XTIMYSQMJMRZHZ-KOLCDFICSA-N 0 3 298.347 -1.883 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CN1CCCCC1=O ZINC001422674344 890609449 /nfs/dbraw/zinc/60/94/49/890609449.db2.gz HDYQMSRMRZQYIL-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CCCC[C@H](CNCC(N)=O)NC(=O)c1nnn(C)n1 ZINC001422691232 890609640 /nfs/dbraw/zinc/60/96/40/890609640.db2.gz UDERNDKYZJUJLN-MRVPVSSYSA-N 0 3 283.336 -1.426 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccn2nnnc2c1 ZINC001422708918 890609885 /nfs/dbraw/zinc/60/98/85/890609885.db2.gz WZLPOVFVPZJRQV-YUMQZZPRSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CCn1cnccc1=O ZINC001422725002 890609929 /nfs/dbraw/zinc/60/99/29/890609929.db2.gz UVTKYUKOJKJLFG-UWVGGRQHSA-N 0 3 295.343 -1.399 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001422663277 890610331 /nfs/dbraw/zinc/61/03/31/890610331.db2.gz YPUMWTJXJOMGAO-IUCAKERBSA-N 0 3 295.343 -1.377 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001422694160 890610363 /nfs/dbraw/zinc/61/03/63/890610363.db2.gz CCSPZPPGOAXQKI-JGVFFNPUSA-N 0 3 295.343 -1.044 20 0 CAADHN Cc1cc(C)n(CC(=O)N[C@@H](C)CNCC(N)=O)c(=O)n1 ZINC001422724100 890610378 /nfs/dbraw/zinc/61/03/78/890610378.db2.gz QPTLFYJHCCXKAF-VIFPVBQESA-N 0 3 295.343 -1.560 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccn2nnnc2c1)C(N)=O ZINC001422708914 890610391 /nfs/dbraw/zinc/61/03/91/890610391.db2.gz WZLPOVFVPZJRQV-JGVFFNPUSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001422700063 890610528 /nfs/dbraw/zinc/61/05/28/890610528.db2.gz JUFWJOUGESOSEJ-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN COC[C@H](O)CN1CC([C@@H](C)NC(=O)c2ncn(C)n2)C1 ZINC001422719283 890610540 /nfs/dbraw/zinc/61/05/40/890610540.db2.gz BRDZNBLSODWFMP-MWLCHTKSSA-N 0 3 297.359 -1.128 20 0 CAADHN CC(C)NC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001422729417 890610828 /nfs/dbraw/zinc/61/08/28/890610828.db2.gz CKPLXHBBPANKIG-VIFPVBQESA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)C[C@H]1CCNC1=O ZINC001422661035 890610972 /nfs/dbraw/zinc/61/09/72/890610972.db2.gz OKWSVLKMHNMOMO-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCc1cn(C)nn1)C(N)=O ZINC001422766897 890612514 /nfs/dbraw/zinc/61/25/14/890612514.db2.gz MYQCTBIRDWRRBJ-DTWKUNHWSA-N 0 3 282.348 -1.284 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccc(C(N)=O)cc1 ZINC001422749079 890612609 /nfs/dbraw/zinc/61/26/09/890612609.db2.gz ZTODFGPHXXISKX-QMMMGPOBSA-N 0 3 278.312 -1.021 20 0 CAADHN NC(=O)Cn1cc(CN[C@H]2CCCN(CCCO)C2)nn1 ZINC001422822667 890613875 /nfs/dbraw/zinc/61/38/75/890613875.db2.gz QWBBGKHAXGMVIR-NSHDSACASA-N 0 3 296.375 -1.300 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001422761402 890614099 /nfs/dbraw/zinc/61/40/99/890614099.db2.gz QKZFFSGEKFKFQU-JGVFFNPUSA-N 0 3 283.332 -1.695 20 0 CAADHN NC(=O)Cn1cc(CN[C@@H]2CCCN(CCCO)C2)nn1 ZINC001422822665 890614320 /nfs/dbraw/zinc/61/43/20/890614320.db2.gz QWBBGKHAXGMVIR-LLVKDONJSA-N 0 3 296.375 -1.300 20 0 CAADHN C[C@H]([NH2+]CCO)[C@@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001422855119 890615820 /nfs/dbraw/zinc/61/58/20/890615820.db2.gz LZZNPAQBFUVYNJ-ONGXEEELSA-N 0 3 296.327 -1.006 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001422869728 890616201 /nfs/dbraw/zinc/61/62/01/890616201.db2.gz GPLBWOFJAKNGFD-QJPTWQEYSA-N 0 3 296.371 -1.176 20 0 CAADHN Cc1nnc(CC(=O)N2CCO[C@@H]([C@H](C)[NH2+]CCO)C2)[n-]1 ZINC001422850559 890616512 /nfs/dbraw/zinc/61/65/12/890616512.db2.gz IMZSLMMQKBKLDI-GXSJLCMTSA-N 0 3 297.359 -1.147 20 0 CAADHN Cc1nnc(CC(=O)N2CCO[C@H]([C@H](C)[NH2+]CCO)C2)[n-]1 ZINC001422850571 890616826 /nfs/dbraw/zinc/61/68/26/890616826.db2.gz IMZSLMMQKBKLDI-ONGXEEELSA-N 0 3 297.359 -1.147 20 0 CAADHN Cc1nnc(CC(=O)N2CCO[C@H]([C@@H](C)[NH2+]CCO)C2)[n-]1 ZINC001422850564 890616900 /nfs/dbraw/zinc/61/69/00/890616900.db2.gz IMZSLMMQKBKLDI-KOLCDFICSA-N 0 3 297.359 -1.147 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001422857718 890617112 /nfs/dbraw/zinc/61/71/12/890617112.db2.gz ORZBOJKQNOVNHY-MNOVXSKESA-N 0 3 299.371 -1.018 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001422869721 890617458 /nfs/dbraw/zinc/61/74/58/890617458.db2.gz GPLBWOFJAKNGFD-GRYCIOLGSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H]([NH2+]CCO)[C@@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001422855117 890617610 /nfs/dbraw/zinc/61/76/10/890617610.db2.gz LZZNPAQBFUVYNJ-KOLCDFICSA-N 0 3 296.327 -1.006 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001422858751 890617633 /nfs/dbraw/zinc/61/76/33/890617633.db2.gz RXKMQJZJSSCMOU-VHSXEESVSA-N 0 3 295.343 -1.357 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnco2)CCO1 ZINC001422862763 890617743 /nfs/dbraw/zinc/61/77/43/890617743.db2.gz TYBKOFBKCWZZBL-WPRPVWTQSA-N 0 3 282.300 -1.021 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)Cc2ccon2)CCO1 ZINC001422855821 890618022 /nfs/dbraw/zinc/61/80/22/890618022.db2.gz KEGREOHHAJVGHL-KOLCDFICSA-N 0 3 296.327 -1.092 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](NC(=O)c1ccon1)C1CC1 ZINC001422977848 890620147 /nfs/dbraw/zinc/62/01/47/890620147.db2.gz VTWGEYBOHYOZJP-VIFPVBQESA-N 0 3 295.299 -1.033 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)CS(C)(=O)=O)C1CC1)C(N)=O ZINC001422977724 890620362 /nfs/dbraw/zinc/62/03/62/890620362.db2.gz VTDAYBVQOULDIV-IONNQARKSA-N 0 3 291.373 -1.611 20 0 CAADHN CC[C@H](N[C@H](C)CN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001423054250 890622165 /nfs/dbraw/zinc/62/21/65/890622165.db2.gz RVQBOHRDGLCNFP-BDAKNGLRSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccnn1C)NCC(=O)NC(N)=O ZINC001423028193 890622185 /nfs/dbraw/zinc/62/21/85/890622185.db2.gz HWTPSSGHOOTDJO-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001423018873 890622861 /nfs/dbraw/zinc/62/28/61/890622861.db2.gz IIYKTEYGRXWCII-OUAUKWLOSA-N 0 3 296.371 -1.320 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001422983174 890622902 /nfs/dbraw/zinc/62/29/02/890622902.db2.gz DTEXJRAJJAKMGY-WPRPVWTQSA-N 0 3 299.375 -1.384 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccnn1C)NCC(=O)NC(N)=O ZINC001423028190 890622911 /nfs/dbraw/zinc/62/29/11/890622911.db2.gz HWTPSSGHOOTDJO-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001423020945 890623043 /nfs/dbraw/zinc/62/30/43/890623043.db2.gz OFRJANPFZWQPPW-KXUCPTDWSA-N 0 3 298.343 -2.011 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnccn1)NCC(=O)NC(N)=O ZINC001423007160 890623083 /nfs/dbraw/zinc/62/30/83/890623083.db2.gz IKDRAHAKUUZXJT-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(C)nn1)NCC(=O)N(C)C ZINC001423042599 890623271 /nfs/dbraw/zinc/62/32/71/890623271.db2.gz MKKFRGIOOQKRPG-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)CNC(=O)OC ZINC001423036624 890623380 /nfs/dbraw/zinc/62/33/80/890623380.db2.gz BHDXSTIPGSUIPW-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CN1CC[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)CC1=O ZINC001423008104 890623551 /nfs/dbraw/zinc/62/35/51/890623551.db2.gz RXLZAUHBRYAYMV-GHMZBOCLSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CNC(=O)OC ZINC001423037109 890623606 /nfs/dbraw/zinc/62/36/06/890623606.db2.gz DFTFFKGITYDKAL-MRVPVSSYSA-N 0 3 274.321 -1.475 20 0 CAADHN CC[C@H](N[C@H](C)CN(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001423035504 890624035 /nfs/dbraw/zinc/62/40/35/890624035.db2.gz ZUQOECBQZBUQPB-BDAKNGLRSA-N 0 3 293.389 -1.269 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncnn1)N[C@H]1CCN(C)C1=O ZINC001423053126 890624088 /nfs/dbraw/zinc/62/40/88/890624088.db2.gz PTEYPKSPAAYYLR-UWVGGRQHSA-N 0 3 295.347 -1.660 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001423027383 890624143 /nfs/dbraw/zinc/62/41/43/890624143.db2.gz NVLDGIPWWOFOFQ-UWVGGRQHSA-N 0 3 297.359 -1.760 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCOCC1=O)NCC(N)=O ZINC001423071734 890625603 /nfs/dbraw/zinc/62/56/03/890625603.db2.gz AIIMGELMXLTBNE-VIFPVBQESA-N 0 3 286.332 -2.233 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)c1cn[nH]n1 ZINC001423099253 890625729 /nfs/dbraw/zinc/62/57/29/890625729.db2.gz QSNHETCELJUHFI-SSDOTTSWSA-N 0 3 297.319 -1.690 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccn(C)c(=O)c1)NCC(N)=O ZINC001423083799 890625850 /nfs/dbraw/zinc/62/58/50/890625850.db2.gz YCMWTAKGWUFKMY-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001423078832 890625931 /nfs/dbraw/zinc/62/59/31/890625931.db2.gz JNSKCXHPXJYKIY-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)CN(C)C(C)C ZINC001423305601 890665035 /nfs/dbraw/zinc/66/50/35/890665035.db2.gz VWMMCZAGXZNAHK-JTQLQIEISA-N 0 3 274.365 -1.861 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001423078828 890627414 /nfs/dbraw/zinc/62/74/14/890627414.db2.gz JNSKCXHPXJYKIY-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)NCC(N)=O ZINC001423145868 890628686 /nfs/dbraw/zinc/62/86/86/890628686.db2.gz JNRHJQUOZXWWAX-UWVGGRQHSA-N 0 3 299.375 -1.159 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001423122231 890629204 /nfs/dbraw/zinc/62/92/04/890629204.db2.gz BNODSAIWBXXTSR-HLTSFMKQSA-N 0 3 270.333 -1.710 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001423126759 890629667 /nfs/dbraw/zinc/62/96/67/890629667.db2.gz QCKWXAFPMKMWJL-QMMMGPOBSA-N 0 3 283.336 -1.604 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423112635 890629749 /nfs/dbraw/zinc/62/97/49/890629749.db2.gz VASAJFLXYIXUKV-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001423122232 890629780 /nfs/dbraw/zinc/62/97/80/890629780.db2.gz BNODSAIWBXXTSR-YIZRAAEISA-N 0 3 270.333 -1.710 20 0 CAADHN CCCN1CC[C@H]1CNC(=O)CNS(=O)(=O)NC ZINC001423121090 890630409 /nfs/dbraw/zinc/63/04/09/890630409.db2.gz LJEKCOPAJPXVEI-VIFPVBQESA-N 0 3 278.378 -1.359 20 0 CAADHN CCCN1CC[C@@H]1CNC(=O)CNS(=O)(=O)NC ZINC001423121088 890630588 /nfs/dbraw/zinc/63/05/88/890630588.db2.gz LJEKCOPAJPXVEI-SECBINFHSA-N 0 3 278.378 -1.359 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001423110016 890630605 /nfs/dbraw/zinc/63/06/05/890630605.db2.gz PRLJPTGEQFKNDH-VIFPVBQESA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccn(C)n1)NCC(=O)NC(N)=O ZINC001423170630 890632019 /nfs/dbraw/zinc/63/20/19/890632019.db2.gz SIGRWZRMLKXGRL-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)NCC(=O)N(C)C ZINC001423162003 890632357 /nfs/dbraw/zinc/63/23/57/890632357.db2.gz BOOCWGDNALQMPL-VIFPVBQESA-N 0 3 287.364 -1.431 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)c1cnon1 ZINC001423162934 890632642 /nfs/dbraw/zinc/63/26/42/890632642.db2.gz UJCNNKNMHPDILD-ZETCQYMHSA-N 0 3 298.303 -1.425 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cncn1)NCC(=O)NC(N)=O ZINC001423181456 890636271 /nfs/dbraw/zinc/63/62/71/890636271.db2.gz ZHTPJDAFJNTJKG-QMMMGPOBSA-N 0 3 297.319 -2.091 20 0 CAADHN COCC(=O)NC[C@H](CO)NC[C@@H]1CCS(=O)(=O)C1 ZINC001423187869 890636331 /nfs/dbraw/zinc/63/63/31/890636331.db2.gz VHEKSJCJNSPZJL-VHSXEESVSA-N 0 3 294.373 -1.866 20 0 CAADHN COCC(=O)NC[C@@H](CO)NC[C@H]1CCS(=O)(=O)C1 ZINC001423187873 890636407 /nfs/dbraw/zinc/63/64/07/890636407.db2.gz VHEKSJCJNSPZJL-ZJUUUORDSA-N 0 3 294.373 -1.866 20 0 CAADHN CCNC(=O)CN[C@H](CO)CNC(=O)Cc1n[nH]c(C)n1 ZINC001423205784 890641649 /nfs/dbraw/zinc/64/16/49/890641649.db2.gz FIZPHNRHVBCUJG-VIFPVBQESA-N 0 3 298.347 -2.142 20 0 CAADHN CC(C)C(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001423210261 890642746 /nfs/dbraw/zinc/64/27/46/890642746.db2.gz XENVQOLYPKNURM-JTQLQIEISA-N 0 3 272.349 -1.266 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001423216044 890645275 /nfs/dbraw/zinc/64/52/75/890645275.db2.gz XJINAIHPOUPPLI-UWVGGRQHSA-N 0 3 288.348 -1.887 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](CO)NCCn1nc(C)nc1C ZINC001423214653 890645627 /nfs/dbraw/zinc/64/56/27/890645627.db2.gz WKIGYGOBJDDTEA-CABZTGNLSA-N 0 3 299.375 -1.003 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](CO)NCCn2cncn2)c1 ZINC001423221882 890649077 /nfs/dbraw/zinc/64/90/77/890649077.db2.gz VCYGCLSLRHGYEX-SNVBAGLBSA-N 0 3 293.331 -1.608 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](CO)NCCn1cncn1 ZINC001423245560 890652549 /nfs/dbraw/zinc/65/25/49/890652549.db2.gz WYZTZVIXVUOOBX-SECBINFHSA-N 0 3 299.335 -2.726 20 0 CAADHN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](CO)NCC(N)=O ZINC001423269005 890656776 /nfs/dbraw/zinc/65/67/76/890656776.db2.gz SAFKVTATYUVWKI-WCBMZHEXSA-N 0 3 283.332 -1.860 20 0 CAADHN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](CO)NCC(N)=O ZINC001423268997 890656972 /nfs/dbraw/zinc/65/69/72/890656972.db2.gz SAFKVTATYUVWKI-PSASIEDQSA-N 0 3 283.332 -1.860 20 0 CAADHN Cn1[n-]c(CNC2(CNC(=O)CC[NH+](C)C)CC2)nc1=O ZINC001423272090 890658165 /nfs/dbraw/zinc/65/81/65/890658165.db2.gz IDMIXEOXADDEBV-UHFFFAOYSA-N 0 3 296.375 -1.202 20 0 CAADHN Cn1nncc1CN[C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001423278350 890659912 /nfs/dbraw/zinc/65/99/12/890659912.db2.gz ICRDFDOQHLFMQM-MRVPVSSYSA-N 0 3 294.319 -2.257 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001423277815 890659938 /nfs/dbraw/zinc/65/99/38/890659938.db2.gz ATENVCHCDFQRCL-KXUCPTDWSA-N 0 3 294.355 -1.375 20 0 CAADHN CC[C@H](NC1(CNC(=O)c2cnn(C)n2)CC1)C(N)=O ZINC001423277556 890660298 /nfs/dbraw/zinc/66/02/98/890660298.db2.gz JIKKRMYFSZCAKH-QMMMGPOBSA-N 0 3 280.332 -1.069 20 0 CAADHN Cn1nncc1CN[C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001423278353 890660798 /nfs/dbraw/zinc/66/07/98/890660798.db2.gz ICRDFDOQHLFMQM-QMMMGPOBSA-N 0 3 294.319 -2.257 20 0 CAADHN CS(=O)(=O)CCN[C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001423293884 890661692 /nfs/dbraw/zinc/66/16/92/890661692.db2.gz UNUCVNQJFLCINZ-ZETCQYMHSA-N 0 3 291.333 -2.470 20 0 CAADHN CS(=O)(=O)CCN[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001423293884 890661696 /nfs/dbraw/zinc/66/16/96/890661696.db2.gz UNUCVNQJFLCINZ-ZETCQYMHSA-N 0 3 291.333 -2.470 20 0 CAADHN O=C(NC[C@@H](CO)NCCO)[C@H]1CCCS1(=O)=O ZINC001423299858 890664114 /nfs/dbraw/zinc/66/41/14/890664114.db2.gz JZCCEVHQRCKMFM-DTWKUNHWSA-N 0 3 280.346 -2.377 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)CN(C)C(C)C ZINC001423305604 890664590 /nfs/dbraw/zinc/66/45/90/890664590.db2.gz VWMMCZAGXZNAHK-SNVBAGLBSA-N 0 3 274.365 -1.861 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)Cn1cncn1 ZINC001423326015 890666586 /nfs/dbraw/zinc/66/65/86/890666586.db2.gz KHSIKXRQZHQEJM-GHMZBOCLSA-N 0 3 294.359 -1.055 20 0 CAADHN CN(C)c1ncc(CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)n1C ZINC001423327973 890666965 /nfs/dbraw/zinc/66/69/65/890666965.db2.gz DAMQMOMPRNISQC-NXEZZACHSA-N 0 3 294.359 -1.495 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001423333680 890667164 /nfs/dbraw/zinc/66/71/64/890667164.db2.gz OGJBPEWTPJQVPL-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)Cn2ncnn2)[C@@H]1C ZINC001423352838 890667441 /nfs/dbraw/zinc/66/74/41/890667441.db2.gz YFQJTFAGYYQKFZ-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)Cn1cncn1 ZINC001423326024 890667684 /nfs/dbraw/zinc/66/76/84/890667684.db2.gz KHSIKXRQZHQEJM-MNOVXSKESA-N 0 3 294.359 -1.055 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@H](NCC(=O)NC)C[C@@H]1C ZINC001423342406 890667768 /nfs/dbraw/zinc/66/77/68/890667768.db2.gz RMLCMBFFBCNQLU-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CN2CCOCC2)C1 ZINC001423343590 890667880 /nfs/dbraw/zinc/66/78/80/890667880.db2.gz TYOHTNCAPIIOEI-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CN(C)c1ncc(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)n1C ZINC001423327982 890668254 /nfs/dbraw/zinc/66/82/54/890668254.db2.gz DAMQMOMPRNISQC-UWVGGRQHSA-N 0 3 294.359 -1.495 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)Cn2cncn2)C1 ZINC001423340271 890668527 /nfs/dbraw/zinc/66/85/27/890668527.db2.gz IWZNLKYKBRVDPN-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)C(F)F ZINC001423399966 890670275 /nfs/dbraw/zinc/67/02/75/890670275.db2.gz BJFNIUDUSHIJAW-RXMQYKEDSA-N 0 3 282.247 -2.145 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001423426333 890670324 /nfs/dbraw/zinc/67/03/24/890670324.db2.gz FDWODPWIYRMIJR-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnn(C)c1 ZINC001423412334 890670413 /nfs/dbraw/zinc/67/04/13/890670413.db2.gz GOVKOBJYXMCWLF-WDEREUQCSA-N 0 3 295.343 -1.669 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001423418551 890670701 /nfs/dbraw/zinc/67/07/01/890670701.db2.gz PJKHADVPFMZZST-DTWKUNHWSA-N 0 3 283.332 -1.433 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](O)CN(C)C(C)=O ZINC001423399795 890671133 /nfs/dbraw/zinc/67/11/33/890671133.db2.gz AISHEPUATKEOOM-SECBINFHSA-N 0 3 274.321 -1.739 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnn(C)c1 ZINC001423412322 890671150 /nfs/dbraw/zinc/67/11/50/890671150.db2.gz GOVKOBJYXMCWLF-MNOVXSKESA-N 0 3 295.343 -1.669 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)C1CCC1 ZINC001423415674 890671986 /nfs/dbraw/zinc/67/19/86/890671986.db2.gz DXQVLCAVUPTEEN-SECBINFHSA-N 0 3 286.332 -1.610 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCn1cccn1 ZINC001423420438 890672031 /nfs/dbraw/zinc/67/20/31/890672031.db2.gz UQNPQENZNQPSSG-SNVBAGLBSA-N 0 3 283.332 -1.833 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(C)no1 ZINC001423412174 890672052 /nfs/dbraw/zinc/67/20/52/890672052.db2.gz FZPIIWDVXSVAOR-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001423431122 890673072 /nfs/dbraw/zinc/67/30/72/890673072.db2.gz USSCTKFVRPVNNC-PSASIEDQSA-N 0 3 283.332 -1.433 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)c(C)nn1 ZINC001423442061 890673472 /nfs/dbraw/zinc/67/34/72/890673472.db2.gz OJEXEIOVDFZLOQ-SNVBAGLBSA-N 0 3 295.343 -1.399 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001423447167 890673532 /nfs/dbraw/zinc/67/35/32/890673532.db2.gz UPXZOHYLQPIZNC-CWSCBRNRSA-N 0 3 285.344 -1.822 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnns1 ZINC001423433929 890673914 /nfs/dbraw/zinc/67/39/14/890673914.db2.gz YKJVHGZIEXROAA-JGVFFNPUSA-N 0 3 299.356 -1.551 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnns1 ZINC001423433934 890673992 /nfs/dbraw/zinc/67/39/92/890673992.db2.gz YKJVHGZIEXROAA-SFYZADRCSA-N 0 3 299.356 -1.551 20 0 CAADHN Cc1cnn(CC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)c1 ZINC001423428630 890674086 /nfs/dbraw/zinc/67/40/86/890674086.db2.gz OAFGIRYQBIMXCG-GHMZBOCLSA-N 0 3 297.359 -1.526 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1conc1C ZINC001423448470 890674246 /nfs/dbraw/zinc/67/42/46/890674246.db2.gz BFLKRKLSWVETCD-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)c1cocn1 ZINC001423435266 890674383 /nfs/dbraw/zinc/67/43/83/890674383.db2.gz OUPJYVRRUPNNDS-JTQLQIEISA-N 0 3 296.327 -1.071 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001423447152 890674516 /nfs/dbraw/zinc/67/45/16/890674516.db2.gz ULPZJUAGFVQXDC-VIFPVBQESA-N 0 3 298.347 -2.189 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001423450108 890674917 /nfs/dbraw/zinc/67/49/17/890674917.db2.gz ASDAIFIFIGBAQB-SFYZADRCSA-N 0 3 270.289 -1.839 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001423429023 890674953 /nfs/dbraw/zinc/67/49/53/890674953.db2.gz FLCFUDZSRDPSDV-KOLCDFICSA-N 0 3 297.359 -1.504 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001423431139 890675119 /nfs/dbraw/zinc/67/51/19/890675119.db2.gz USSCTKFVRPVNNC-WPRPVWTQSA-N 0 3 283.332 -1.433 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1conc1C ZINC001423448467 890675133 /nfs/dbraw/zinc/67/51/33/890675133.db2.gz BFLKRKLSWVETCD-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)n1C ZINC001423457928 890676103 /nfs/dbraw/zinc/67/61/03/890676103.db2.gz SUMIPIYTYGNJNT-SCZZXKLOSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001423455803 890676168 /nfs/dbraw/zinc/67/61/68/890676168.db2.gz PDOXZOCLXHSKED-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN NC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)c1ncc[nH]1 ZINC001423453079 890676213 /nfs/dbraw/zinc/67/62/13/890676213.db2.gz LTWIOBFXWRBNRI-MRVPVSSYSA-N 0 3 294.315 -1.201 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1csnn1 ZINC001423461456 890676693 /nfs/dbraw/zinc/67/66/93/890676693.db2.gz IASQVCNWIRUXGB-JGVFFNPUSA-N 0 3 299.356 -1.551 20 0 CAADHN Cc1cncn1CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001423462761 890676993 /nfs/dbraw/zinc/67/69/93/890676993.db2.gz RVVMQPNRKZNLBG-WDEREUQCSA-N 0 3 297.359 -1.526 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CNC(C)=O ZINC001423453152 890677017 /nfs/dbraw/zinc/67/70/17/890677017.db2.gz AHLNNKXLYKSEIL-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN COCC1(C(=O)N(C)C[C@@H](O)CNCC(N)=O)CC1 ZINC001423454499 890677188 /nfs/dbraw/zinc/67/71/88/890677188.db2.gz ISXYGVSATCFARR-VIFPVBQESA-N 0 3 273.333 -1.693 20 0 CAADHN Cc1ccncc1CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001423468923 890677270 /nfs/dbraw/zinc/67/72/70/890677270.db2.gz RSXCDNVCZNHLCP-LBPRGKRZSA-N 0 3 294.355 -1.173 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cnc(C)o1 ZINC001423465174 890677450 /nfs/dbraw/zinc/67/74/50/890677450.db2.gz OBECHXUWHHVPHX-SNVBAGLBSA-N 0 3 298.343 -1.320 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001423452503 890677586 /nfs/dbraw/zinc/67/75/86/890677586.db2.gz GTJFATJAXNPPKH-RKDXNWHRSA-N 0 3 284.316 -1.579 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1c(C)cnn1C ZINC001423460807 890677631 /nfs/dbraw/zinc/67/76/31/890677631.db2.gz OSHBXYUMWWKYTA-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)c1ncc[nH]1 ZINC001423453082 890677656 /nfs/dbraw/zinc/67/76/56/890677656.db2.gz LTWIOBFXWRBNRI-QMMMGPOBSA-N 0 3 294.315 -1.201 20 0 CAADHN C[C@@H](CC(=O)N(C)C[C@H](O)CNCC(N)=O)n1ccnc1 ZINC001423465570 890677754 /nfs/dbraw/zinc/67/77/54/890677754.db2.gz KCOSKQSIIIIXSU-WDEREUQCSA-N 0 3 297.359 -1.272 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001423455182 890677812 /nfs/dbraw/zinc/67/78/12/890677812.db2.gz ASDCKBXWZIHXLP-IUCAKERBSA-N 0 3 283.332 -1.386 20 0 CAADHN COCC1(C(=O)N(C)C[C@H](O)CNCC(N)=O)CC1 ZINC001423454493 890677827 /nfs/dbraw/zinc/67/78/27/890677827.db2.gz ISXYGVSATCFARR-SECBINFHSA-N 0 3 273.333 -1.693 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001423463546 890677916 /nfs/dbraw/zinc/67/79/16/890677916.db2.gz QNKUAWVTVYPEKQ-LADJIXMOSA-N 0 3 285.344 -1.839 20 0 CAADHN Cc1cncn1CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001423462754 890678130 /nfs/dbraw/zinc/67/81/30/890678130.db2.gz RVVMQPNRKZNLBG-QWRGUYRKSA-N 0 3 297.359 -1.526 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1cnc(C)o1 ZINC001423465173 890678248 /nfs/dbraw/zinc/67/82/48/890678248.db2.gz OBECHXUWHHVPHX-JTQLQIEISA-N 0 3 298.343 -1.320 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001423466023 890678332 /nfs/dbraw/zinc/67/83/32/890678332.db2.gz ZRSGYKJSKHDTQX-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001423487386 890679666 /nfs/dbraw/zinc/67/96/66/890679666.db2.gz UZTUZIQSWPHYAU-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001423491224 890681031 /nfs/dbraw/zinc/68/10/31/890681031.db2.gz XENYDYFNEITMKY-VIFPVBQESA-N 0 3 288.348 -2.205 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001423477449 890681245 /nfs/dbraw/zinc/68/12/45/890681245.db2.gz KTPMBBNSTBXJCD-VIFPVBQESA-N 0 3 293.327 -1.290 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001423506716 890681364 /nfs/dbraw/zinc/68/13/64/890681364.db2.gz UXPHPEDVPORLKQ-GFCCVEGCSA-N 0 3 284.360 -1.294 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001423487381 890681432 /nfs/dbraw/zinc/68/14/32/890681432.db2.gz UZTUZIQSWPHYAU-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN COc1ncc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)cn1 ZINC001423475485 890682156 /nfs/dbraw/zinc/68/21/56/890682156.db2.gz KOWIWLZLXOMFPC-VIFPVBQESA-N 0 3 297.315 -2.007 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1n[nH]cc1F)C(N)=O ZINC001423477888 890682349 /nfs/dbraw/zinc/68/23/49/890682349.db2.gz VZWDFBLRAPYHOM-RNFRBKRXSA-N 0 3 287.295 -1.555 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)Cc1cncn1C ZINC001423542722 890684321 /nfs/dbraw/zinc/68/43/21/890684321.db2.gz WAONINLPSIIIHT-GFCCVEGCSA-N 0 3 284.360 -1.294 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001423602931 890686633 /nfs/dbraw/zinc/68/66/33/890686633.db2.gz FIPSJROCUBSMCA-RKDXNWHRSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CNCC(N)=O)C1CCCC1 ZINC001423528924 890687033 /nfs/dbraw/zinc/68/70/33/890687033.db2.gz PIQAQXWHUFJOEV-LLVKDONJSA-N 0 3 284.360 -1.128 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H]1CNC(=O)N1)C(C)(C)C ZINC001423621679 890688220 /nfs/dbraw/zinc/68/82/20/890688220.db2.gz MNEXPLJYOQKAAM-IUCAKERBSA-N 0 3 299.375 -1.466 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C ZINC001423604030 890690856 /nfs/dbraw/zinc/69/08/56/890690856.db2.gz XVNBUBDSWFUUCI-YUMQZZPRSA-N 0 3 287.364 -1.351 20 0 CAADHN C[C@@H](C(=O)NC[C@@]1(O)CCN(CCO)C1)n1cccn1 ZINC001423753553 890693743 /nfs/dbraw/zinc/69/37/43/890693743.db2.gz NXTRLUHHQWICLK-AAEUAGOBSA-N 0 3 282.344 -1.011 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001423745325 890694044 /nfs/dbraw/zinc/69/40/44/890694044.db2.gz VELUDJHWZQBBHD-DGCLKSJQSA-N 0 3 287.360 -2.138 20 0 CAADHN C[C@H](C(=O)NC[C@@]1(O)CCN(CCO)C1)n1cccn1 ZINC001423753571 890694295 /nfs/dbraw/zinc/69/42/95/890694295.db2.gz NXTRLUHHQWICLK-YPMHNXCESA-N 0 3 282.344 -1.011 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423761897 890694564 /nfs/dbraw/zinc/69/45/64/890694564.db2.gz SNMXFTNVLIPWKP-LBPRGKRZSA-N 0 3 283.332 -1.372 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001423741928 890695041 /nfs/dbraw/zinc/69/50/41/890695041.db2.gz HRCYMESNWAZVSL-GFCCVEGCSA-N 0 3 273.333 -1.990 20 0 CAADHN CCn1ccc(CC(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001423763373 890695196 /nfs/dbraw/zinc/69/51/96/890695196.db2.gz MSXPLPYIAZDRDC-AWEZNQCLSA-N 0 3 296.371 -1.009 20 0 CAADHN CC[C@@H](C(=O)NC[C@@]1(O)CCN(CC(N)=O)C1)N(C)C ZINC001423798519 890696625 /nfs/dbraw/zinc/69/66/25/890696625.db2.gz ODBPHANADIYTKW-GWCFXTLKSA-N 0 3 286.376 -1.635 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@](O)(CNC(=O)CN2CCCC2)C1 ZINC001423802551 890696881 /nfs/dbraw/zinc/69/68/81/890696881.db2.gz ROELEGYEELETCJ-RISCZKNCSA-N 0 3 298.387 -1.491 20 0 CAADHN COc1nc(C(=O)NC[C@]2(O)CCN(CCO)C2)co1 ZINC001423773751 890697006 /nfs/dbraw/zinc/69/70/06/890697006.db2.gz DHQUNKRGHCKALH-GFCCVEGCSA-N 0 3 285.300 -1.158 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001423786074 890698743 /nfs/dbraw/zinc/69/87/43/890698743.db2.gz DAAOMWPGRCLYRO-TZMCWYRMSA-N 0 3 299.371 -1.457 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCC1(O)CN(CCCO)C1 ZINC001423913876 890715876 /nfs/dbraw/zinc/71/58/76/890715876.db2.gz IADZVLSXVCHWOY-UHFFFAOYSA-N 0 3 282.344 -1.194 20 0 CAADHN CCCN(C)CC(=O)NCC1(O)CN([C@H](C)C(N)=O)C1 ZINC001423913396 890716603 /nfs/dbraw/zinc/71/66/03/890716603.db2.gz ADHXDRRRIYHJLK-SNVBAGLBSA-N 0 3 286.376 -1.635 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cn(C)nn1 ZINC001424042632 890717637 /nfs/dbraw/zinc/71/76/37/890717637.db2.gz AGQBQSCLVPDAJZ-SECBINFHSA-N 0 3 298.347 -2.026 20 0 CAADHN CCn1ccc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)n1 ZINC001424047074 890717672 /nfs/dbraw/zinc/71/76/72/890717672.db2.gz GFANSECIJPGUCM-SNVBAGLBSA-N 0 3 297.359 -1.199 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H]1COC(=O)N1)C(N)=O ZINC001424045936 890718299 /nfs/dbraw/zinc/71/82/99/890718299.db2.gz HHUKEGLJVBWRFC-HTQZYQBOSA-N 0 3 288.304 -2.621 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@@H]1COC(=O)N1)C(N)=O ZINC001424045948 890718634 /nfs/dbraw/zinc/71/86/34/890718634.db2.gz HHUKEGLJVBWRFC-YUMQZZPRSA-N 0 3 288.304 -2.621 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)[C@]12C[C@H]1COC2)C(N)=O ZINC001424051041 890718835 /nfs/dbraw/zinc/71/88/35/890718835.db2.gz RZKHUXLLCRUARO-WDMOLILDSA-N 0 3 299.371 -1.303 20 0 CAADHN Cc1cnn(C)c1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001424045304 890719109 /nfs/dbraw/zinc/71/91/09/890719109.db2.gz PHBUYSTYHOQBNT-JTQLQIEISA-N 0 3 297.359 -1.374 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1c[nH]c(C)n1 ZINC001424075412 890719352 /nfs/dbraw/zinc/71/93/52/890719352.db2.gz ZGNDFKWLDPLNCM-SECBINFHSA-N 0 3 297.359 -1.123 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cccnn1)C(N)=O ZINC001424049040 890719895 /nfs/dbraw/zinc/71/98/95/890719895.db2.gz JNBQDKSQAUKPMD-SECBINFHSA-N 0 3 281.316 -1.626 20 0 CAADHN CCn1ccc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)n1 ZINC001424047071 890720599 /nfs/dbraw/zinc/72/05/99/890720599.db2.gz GFANSECIJPGUCM-JTQLQIEISA-N 0 3 297.359 -1.199 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)[nH]n1 ZINC001424224929 890721769 /nfs/dbraw/zinc/72/17/69/890721769.db2.gz WLOOELXELRSOKL-SECBINFHSA-N 0 3 281.316 -1.366 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)n[nH]1 ZINC001424224929 890721779 /nfs/dbraw/zinc/72/17/79/890721779.db2.gz WLOOELXELRSOKL-SECBINFHSA-N 0 3 281.316 -1.366 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H](O)C(C)C)CCO1 ZINC001424221284 890721883 /nfs/dbraw/zinc/72/18/83/890721883.db2.gz QCLHFZGOGGVDMV-CMPLNLGQSA-N 0 3 287.360 -1.434 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CCOC2)CCO1 ZINC001424225228 890721993 /nfs/dbraw/zinc/72/19/93/890721993.db2.gz XGTXEYTVSMQEJD-GHMZBOCLSA-N 0 3 285.344 -1.285 20 0 CAADHN Cc1cnn(CC(=O)N2CCO[C@H](CNCC(N)=O)C2)c1 ZINC001424214979 890722312 /nfs/dbraw/zinc/72/23/12/890722312.db2.gz BSNWREINHVFIIC-LLVKDONJSA-N 0 3 295.343 -1.506 20 0 CAADHN CNC(=O)CNC1(CNC(=O)C2CN(C(C)=O)C2)CCC1 ZINC001424173646 890722535 /nfs/dbraw/zinc/72/25/35/890722535.db2.gz LNSTYVJGPJKYGH-UHFFFAOYSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)Cn2cncn2)CCC1 ZINC001424204179 890722730 /nfs/dbraw/zinc/72/27/30/890722730.db2.gz FLQFWYQJLQQYSM-UHFFFAOYSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001424215255 890723031 /nfs/dbraw/zinc/72/30/31/890723031.db2.gz DQXCJNRFWAAVIC-SECBINFHSA-N 0 3 296.331 -2.008 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CCOC2)CCO1 ZINC001424225249 890723266 /nfs/dbraw/zinc/72/32/66/890723266.db2.gz XGTXEYTVSMQEJD-WDEREUQCSA-N 0 3 285.344 -1.285 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cnccn2)CCO1)C(N)=O ZINC001424223879 890723453 /nfs/dbraw/zinc/72/34/53/890723453.db2.gz FZUOUWGDMRIZKE-VHSXEESVSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1)C(N)=O ZINC001424218566 890723628 /nfs/dbraw/zinc/72/36/28/890723628.db2.gz KTIQTTVLPKJYIT-IUCAKERBSA-N 0 3 297.319 -2.636 20 0 CAADHN NC(=O)NC(=O)CNC[C@H]1CN(C(=O)C(F)F)CCO1 ZINC001424225680 890723788 /nfs/dbraw/zinc/72/37/88/890723788.db2.gz BOTLIHAXTRZWPJ-LURJTMIESA-N 0 3 294.258 -1.737 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cnccn2)CCO1)C(N)=O ZINC001424223877 890723861 /nfs/dbraw/zinc/72/38/61/890723861.db2.gz FZUOUWGDMRIZKE-NXEZZACHSA-N 0 3 293.327 -1.219 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 ZINC001424193924 890723925 /nfs/dbraw/zinc/72/39/25/890723925.db2.gz DTWWPQIISFLLEB-VIFPVBQESA-N 0 3 297.359 -1.568 20 0 CAADHN NC(=O)CNC1(CNC(=O)CN2CCCC2=O)CCC1 ZINC001424158014 890724016 /nfs/dbraw/zinc/72/40/16/890724016.db2.gz ZGDLLADEAFKXJP-UHFFFAOYSA-N 0 3 282.344 -1.277 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)[C@H](C)NC(N)=O)CCC1 ZINC001424177692 890724041 /nfs/dbraw/zinc/72/40/41/890724041.db2.gz SVLCBWVFTGWHSG-VIFPVBQESA-N 0 3 299.375 -1.192 20 0 CAADHN Cc1cc(CC(=O)N2CCO[C@H](CNCC(N)=O)C2)no1 ZINC001424221640 890724253 /nfs/dbraw/zinc/72/42/53/890724253.db2.gz OSZZRRDZVOVJGW-LLVKDONJSA-N 0 3 296.327 -1.172 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2csnn2)CCO1)C(N)=O ZINC001424234579 890725153 /nfs/dbraw/zinc/72/51/53/890725153.db2.gz DPUXQTRZBGTFRC-JGVFFNPUSA-N 0 3 299.356 -1.158 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CCO1 ZINC001424233329 890725380 /nfs/dbraw/zinc/72/53/80/890725380.db2.gz XDUNFGCIZJHWLL-NXEZZACHSA-N 0 3 298.343 -2.043 20 0 CAADHN Cn1ccc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)n1 ZINC001424240010 890725415 /nfs/dbraw/zinc/72/54/15/890725415.db2.gz NXSVAPWXFZZDMN-SECBINFHSA-N 0 3 281.316 -1.664 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001424240146 890725982 /nfs/dbraw/zinc/72/59/82/890725982.db2.gz PRGCLNZZJTUHTD-JTQLQIEISA-N 0 3 293.327 -1.347 20 0 CAADHN CCOCC(=O)N1CCO[C@@H](CNCC(=O)NC)C1 ZINC001424230603 890726060 /nfs/dbraw/zinc/72/60/60/890726060.db2.gz PGENLQOTOSONCU-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)CCO1 ZINC001424239843 890726359 /nfs/dbraw/zinc/72/63/59/890726359.db2.gz NICQIFCZYPAZDE-SNVBAGLBSA-N 0 3 294.311 -1.297 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC001424250152 890726457 /nfs/dbraw/zinc/72/64/57/890726457.db2.gz WMAIKHBSBXGXLW-MEWQQHAOSA-N 0 3 297.355 -1.558 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CCO1 ZINC001424238643 890726481 /nfs/dbraw/zinc/72/64/81/890726481.db2.gz BHPOOHLCSUDTIT-VHSXEESVSA-N 0 3 298.343 -2.043 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)COCC(F)F)CCO1 ZINC001424233458 890726513 /nfs/dbraw/zinc/72/65/13/890726513.db2.gz CQZCKDHBZFYVGS-QMMMGPOBSA-N 0 3 295.286 -1.430 20 0 CAADHN Cn1ccc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)n1 ZINC001424240014 890726543 /nfs/dbraw/zinc/72/65/43/890726543.db2.gz NXSVAPWXFZZDMN-VIFPVBQESA-N 0 3 281.316 -1.664 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC001424232223 890727008 /nfs/dbraw/zinc/72/70/08/890727008.db2.gz ALIKYXVUTVFPPT-SVDPJWKOSA-N 0 3 283.328 -1.819 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC001424250148 890727970 /nfs/dbraw/zinc/72/79/70/890727970.db2.gz WMAIKHBSBXGXLW-DCQANWLSSA-N 0 3 297.355 -1.558 20 0 CAADHN CCNC(=O)CCC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001424460735 890733165 /nfs/dbraw/zinc/73/31/65/890733165.db2.gz BOVDSDABJGSBOG-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001424442656 890733220 /nfs/dbraw/zinc/73/32/20/890733220.db2.gz FZVVNWGARSKHFI-LPEHRKFASA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1NCC(=O)N(C)C ZINC001424461886 890733609 /nfs/dbraw/zinc/73/36/09/890733609.db2.gz DKINGYNODMGIHH-ZJUUUORDSA-N 0 3 294.359 -1.047 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001424493564 890733646 /nfs/dbraw/zinc/73/36/46/890733646.db2.gz VZTXGJGTLNGFMV-DTWKUNHWSA-N 0 3 281.320 -2.144 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cc2c[nH]cn2)CCOCC1 ZINC001424430634 890733682 /nfs/dbraw/zinc/73/36/82/890733682.db2.gz XSJDIAICQASWAQ-UHFFFAOYSA-N 0 3 295.343 -1.308 20 0 CAADHN C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1NCC(N)=O ZINC001424470765 890734417 /nfs/dbraw/zinc/73/44/17/890734417.db2.gz FNJBLBNEFYCIPJ-BDAKNGLRSA-N 0 3 291.373 -1.657 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)COC)CC1 ZINC001424511013 890735098 /nfs/dbraw/zinc/73/50/98/890735098.db2.gz RYCSEPSYHXBCKH-UHFFFAOYSA-N 0 3 273.333 -1.678 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001424461603 890735141 /nfs/dbraw/zinc/73/51/41/890735141.db2.gz DBWXOKJXQKGEIY-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CCNC(=O)CCC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001424460734 890735176 /nfs/dbraw/zinc/73/51/76/890735176.db2.gz BOVDSDABJGSBOG-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2csnn2)CC1 ZINC001424540466 890736730 /nfs/dbraw/zinc/73/67/30/890736730.db2.gz DXSKPISAAALJSV-UHFFFAOYSA-N 0 3 299.356 -1.420 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001424533544 890736988 /nfs/dbraw/zinc/73/69/88/890736988.db2.gz ALFVQRRBRDZIIB-BDAKNGLRSA-N 0 3 298.343 -2.464 20 0 CAADHN Cn1cc(C(=O)N2CCC(O)(CNCC(N)=O)CC2)cn1 ZINC001424529209 890737275 /nfs/dbraw/zinc/73/72/75/890737275.db2.gz NQEPKDSZBLLAQJ-UHFFFAOYSA-N 0 3 295.343 -1.538 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)Cn2cccn2)CC1 ZINC001424522202 890737660 /nfs/dbraw/zinc/73/76/60/890737660.db2.gz RBYFPQFVWSAGTD-UHFFFAOYSA-N 0 3 295.343 -1.689 20 0 CAADHN CCCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001424741279 890738793 /nfs/dbraw/zinc/73/87/93/890738793.db2.gz CZUQDBSOPSVLLX-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN CCCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001424741281 890738842 /nfs/dbraw/zinc/73/88/42/890738842.db2.gz CZUQDBSOPSVLLX-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001424762953 890738954 /nfs/dbraw/zinc/73/89/54/890738954.db2.gz FZUQKBQHIPGDTG-SFYZADRCSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC1(CO)CCN(CCO)CC1 ZINC001424640164 890739872 /nfs/dbraw/zinc/73/98/72/890739872.db2.gz IUBNQDSLSJKWGX-VIFPVBQESA-N 0 3 288.348 -2.021 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001424749818 890739897 /nfs/dbraw/zinc/73/98/97/890739897.db2.gz JNDDPNPGVOMCDQ-RKDXNWHRSA-N 0 3 293.389 -1.398 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)c1ccc(=O)[nH]n1 ZINC001424642361 890740172 /nfs/dbraw/zinc/74/01/72/890740172.db2.gz XWYDSZFMDLHRTM-UHFFFAOYSA-N 0 3 296.327 -1.269 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCCC1=O ZINC001424744142 890740213 /nfs/dbraw/zinc/74/02/13/890740213.db2.gz GNZGXQGZYVCRRK-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](NC(=O)CNC(=O)C1CC1)[C@H](C)NCC(N)=O ZINC001424762950 890741045 /nfs/dbraw/zinc/74/10/45/890741045.db2.gz FZUQKBQHIPGDTG-JGVFFNPUSA-N 0 3 270.333 -1.519 20 0 CAADHN O=C(Cn1cncn1)NC1(CO)CCN(CCCO)CC1 ZINC001424649430 890741385 /nfs/dbraw/zinc/74/13/85/890741385.db2.gz TZNUODCZOHSNOM-UHFFFAOYSA-N 0 3 297.359 -1.396 20 0 CAADHN CCCNC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001424741285 890741446 /nfs/dbraw/zinc/74/14/46/890741446.db2.gz CZUQDBSOPSVLLX-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001424769330 890742889 /nfs/dbraw/zinc/74/28/89/890742889.db2.gz YDNPCEJMZOCGIY-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001424763731 890743171 /nfs/dbraw/zinc/74/31/71/890743171.db2.gz GNLMSYOSEXCQBD-DTWKUNHWSA-N 0 3 284.360 -1.259 20 0 CAADHN C[C@H](NCCF)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001424809311 890743282 /nfs/dbraw/zinc/74/32/82/890743282.db2.gz DCYCKHMPTGEQIJ-UWVGGRQHSA-N 0 3 274.340 -1.130 20 0 CAADHN C[C@@H](NCCF)[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001424809307 890743543 /nfs/dbraw/zinc/74/35/43/890743543.db2.gz DCYCKHMPTGEQIJ-NXEZZACHSA-N 0 3 274.340 -1.130 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001424847791 890743811 /nfs/dbraw/zinc/74/38/11/890743811.db2.gz GYNBPRFYTVJXRH-IUCAKERBSA-N 0 3 295.343 -1.377 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CN1CCOCC1 ZINC001424788874 890743925 /nfs/dbraw/zinc/74/39/25/890743925.db2.gz UOKZMKHAKYRKAJ-NXEZZACHSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001424769925 890744038 /nfs/dbraw/zinc/74/40/38/890744038.db2.gz YXNDAYXLZFUUHB-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001424762956 890744611 /nfs/dbraw/zinc/74/46/11/890744611.db2.gz FZUQKBQHIPGDTG-YUMQZZPRSA-N 0 3 270.333 -1.519 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1cncn1 ZINC001424855116 890744697 /nfs/dbraw/zinc/74/46/97/890744697.db2.gz NJCJOCQCAONAPQ-VHSXEESVSA-N 0 3 282.348 -1.103 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001424769928 890744977 /nfs/dbraw/zinc/74/49/77/890744977.db2.gz YXNDAYXLZFUUHB-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001424769924 890745386 /nfs/dbraw/zinc/74/53/86/890745386.db2.gz YXNDAYXLZFUUHB-HTQZYQBOSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)Cn1ccccc1=O ZINC001424851460 890746067 /nfs/dbraw/zinc/74/60/67/890746067.db2.gz JSRJQUIBAVEZMO-UWVGGRQHSA-N 0 3 280.328 -1.184 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001424847779 890746108 /nfs/dbraw/zinc/74/61/08/890746108.db2.gz GYNBPRFYTVJXRH-BDAKNGLRSA-N 0 3 295.343 -1.377 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)C1CN(C[C@H](C)O)C1 ZINC001425232172 890759245 /nfs/dbraw/zinc/75/92/45/890759245.db2.gz QSBCUGBJQKQKFL-DTWKUNHWSA-N 0 3 272.349 -1.267 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1nc[nH]c1C ZINC001425312511 890768585 /nfs/dbraw/zinc/76/85/85/890768585.db2.gz IRLWLDFDLNXNTM-VHSXEESVSA-N 0 3 298.343 -1.111 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1nc[nH]c1C ZINC001425312509 890769422 /nfs/dbraw/zinc/76/94/22/890769422.db2.gz IRLWLDFDLNXNTM-UWVGGRQHSA-N 0 3 298.343 -1.111 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](O)CN(C)C(C)=O ZINC001425972477 890835370 /nfs/dbraw/zinc/83/53/70/890835370.db2.gz AYTKGOIOPQONLX-CBAPKCEASA-N 0 3 274.321 -1.741 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001425344094 890772037 /nfs/dbraw/zinc/77/20/37/890772037.db2.gz AENLYBWFJLSHFO-APPZFPTMSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2csnn2)CCO1 ZINC001425357737 890772328 /nfs/dbraw/zinc/77/23/28/890772328.db2.gz KAAUAJFSMDBOFA-CBAPKCEASA-N 0 3 299.356 -1.158 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001425363025 890773856 /nfs/dbraw/zinc/77/38/56/890773856.db2.gz OYPLKKNUCVZLCO-GXSJLCMTSA-N 0 3 295.343 -1.357 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001425427077 890777989 /nfs/dbraw/zinc/77/79/89/890777989.db2.gz ZBCNLOKRTJXBOJ-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@H](CNCC(N)=O)C2CC2)[nH]1 ZINC001425481137 890782230 /nfs/dbraw/zinc/78/22/30/890782230.db2.gz BDMNLQIMVWTTKA-SNVBAGLBSA-N 0 3 294.359 -1.032 20 0 CAADHN COCC(=O)N(C)C[C@H](C)NCC(=O)N1CCOCC1 ZINC001425508909 890785798 /nfs/dbraw/zinc/78/57/98/890785798.db2.gz MLJDOWKGKWURHX-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(C)nn1)NCC(=O)NC(N)=O ZINC001425549818 890785914 /nfs/dbraw/zinc/78/59/14/890785914.db2.gz AGEGKPXFKGRIQV-ZETCQYMHSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)N[C@@H]1CCNC1=O ZINC001425536209 890786468 /nfs/dbraw/zinc/78/64/68/890786468.db2.gz CFBHGBWTAJRZAJ-WCBMZHEXSA-N 0 3 294.359 -1.059 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O)C1 ZINC001425550005 890786994 /nfs/dbraw/zinc/78/69/94/890786994.db2.gz BSMRDKXDZBFBDE-BDAKNGLRSA-N 0 3 284.360 -1.225 20 0 CAADHN CN(C(=O)C[C@@H]1CCC(=O)N1)[C@@H](CNCC(N)=O)C1CC1 ZINC001425512160 890787600 /nfs/dbraw/zinc/78/76/00/890787600.db2.gz UODFYEWPYDJLKI-QWRGUYRKSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)COC ZINC001425512911 890788274 /nfs/dbraw/zinc/78/82/74/890788274.db2.gz XSJNPPQLOHUQIO-IUCAKERBSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CNC(=O)OC ZINC001425531378 890788853 /nfs/dbraw/zinc/78/88/53/890788853.db2.gz MLTBSVZIROCYEQ-RKDXNWHRSA-N 0 3 288.348 -1.087 20 0 CAADHN CN(C(=O)C[C@H]1CCC(=O)N1)[C@H](CNCC(N)=O)C1CC1 ZINC001425512152 890789091 /nfs/dbraw/zinc/78/90/91/890789091.db2.gz UODFYEWPYDJLKI-GHMZBOCLSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nnn(C)n1)N[C@@H]1CCCNC1=O ZINC001425606837 890789910 /nfs/dbraw/zinc/78/99/10/890789910.db2.gz ZIMNQNIIAQBXEI-DTWKUNHWSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)Cn1cncn1 ZINC001425691149 890790090 /nfs/dbraw/zinc/79/00/90/890790090.db2.gz SPAWPENLMHOWJC-ZJUUUORDSA-N 0 3 282.348 -1.151 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CCn1cnnn1 ZINC001425673366 890790142 /nfs/dbraw/zinc/79/01/42/890790142.db2.gz SGPLQBFPAQEAGT-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nnn(C)n1)N[C@H]1CCNC1=O ZINC001425601687 890790697 /nfs/dbraw/zinc/79/06/97/890790697.db2.gz NNNJUURHMYMZQD-YUMQZZPRSA-N 0 3 281.320 -1.851 20 0 CAADHN C[C@H](CN(C)C(=O)CCNS(C)(=O)=O)NCC(N)=O ZINC001425561288 890790731 /nfs/dbraw/zinc/79/07/31/890790731.db2.gz OPDFHQGIGHVAGX-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(C)ccc1=O)NCC(N)=O ZINC001425612367 890790803 /nfs/dbraw/zinc/79/08/03/890790803.db2.gz YXXGWYHZERZCDR-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)Cn1cncn1 ZINC001425691138 890791456 /nfs/dbraw/zinc/79/14/56/890791456.db2.gz SPAWPENLMHOWJC-NXEZZACHSA-N 0 3 282.348 -1.151 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccc2nnnn2c1)NCC(N)=O ZINC001425605354 890792030 /nfs/dbraw/zinc/79/20/30/890792030.db2.gz PLVRHJZICIDREM-MRVPVSSYSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@@H](CN(C)C(=O)CCNS(C)(=O)=O)NCC(N)=O ZINC001425561292 890792080 /nfs/dbraw/zinc/79/20/80/890792080.db2.gz OPDFHQGIGHVAGX-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)N[C@H](C)C(=O)NC ZINC001425566131 890792391 /nfs/dbraw/zinc/79/23/91/890792391.db2.gz VBMKRBAXUHLYRH-DTWKUNHWSA-N 0 3 287.364 -1.514 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)o1)NCC(N)=O ZINC001425610347 890792612 /nfs/dbraw/zinc/79/26/12/890792612.db2.gz IAPJCWQXYXCXQJ-ZETCQYMHSA-N 0 3 282.300 -1.086 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)NC ZINC001425566128 890792730 /nfs/dbraw/zinc/79/27/30/890792730.db2.gz VBMKRBAXUHLYRH-BDAKNGLRSA-N 0 3 287.364 -1.514 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CCn1cnnn1 ZINC001425673367 890792873 /nfs/dbraw/zinc/79/28/73/890792873.db2.gz SGPLQBFPAQEAGT-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@H](CN(C)C(=O)c1nnn(C)n1)N[C@@H]1CCCNC1=O ZINC001425606848 890792933 /nfs/dbraw/zinc/79/29/33/890792933.db2.gz ZIMNQNIIAQBXEI-RKDXNWHRSA-N 0 3 295.347 -1.461 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001425635242 890793033 /nfs/dbraw/zinc/79/30/33/890793033.db2.gz VBHXGODHTLAQHO-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cncn1)NCC(=O)N(C)C ZINC001425692255 890793165 /nfs/dbraw/zinc/79/31/65/890793165.db2.gz VJRWLHRPUFIEJP-SNVBAGLBSA-N 0 3 282.348 -1.197 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccoc1CC(N)=O)NCC(N)=O ZINC001425632854 890793563 /nfs/dbraw/zinc/79/35/63/890793563.db2.gz ZVEJGFZJOLJNPV-MRVPVSSYSA-N 0 3 296.327 -1.157 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001425713009 890796220 /nfs/dbraw/zinc/79/62/20/890796220.db2.gz NRVOEMJQFWCWQB-GXSJLCMTSA-N 0 3 298.347 -2.131 20 0 CAADHN O=C(NC[C@@H](CO)NC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001425717083 890798707 /nfs/dbraw/zinc/79/87/07/890798707.db2.gz NAAXGUSRFYVQAB-ONGXEEELSA-N 0 3 290.385 -1.102 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@@H]1CCCOC1 ZINC001425717628 890799614 /nfs/dbraw/zinc/79/96/14/890799614.db2.gz BRUJZEUFBXNOMU-VXGBXAGGSA-N 0 3 297.359 -1.229 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1cn[nH]c1 ZINC001425718107 890799881 /nfs/dbraw/zinc/79/98/81/890799881.db2.gz UGJRYKNMIVAUPE-SNVBAGLBSA-N 0 3 279.304 -1.618 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@H]1CCCOC1 ZINC001425717627 890799937 /nfs/dbraw/zinc/79/99/37/890799937.db2.gz BRUJZEUFBXNOMU-RYUDHWBXSA-N 0 3 297.359 -1.229 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)C(F)F ZINC001425727415 890804162 /nfs/dbraw/zinc/80/41/62/890804162.db2.gz YYJCEYDQLDBSHI-ZETCQYMHSA-N 0 3 280.275 -1.657 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1cnns1 ZINC001425720714 890804400 /nfs/dbraw/zinc/80/44/00/890804400.db2.gz XLTPRZVWGRNFPI-QMMMGPOBSA-N 0 3 297.344 -1.490 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@H]1COC(=O)N1 ZINC001425735538 890808064 /nfs/dbraw/zinc/80/80/64/890808064.db2.gz AARRCRDGRRXDGF-DTWKUNHWSA-N 0 3 298.303 -2.547 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](CO)NCc1ccccc1 ZINC001425756144 890812973 /nfs/dbraw/zinc/81/29/73/890812973.db2.gz NOCWUAFDZFHIRF-LBPRGKRZSA-N 0 3 290.327 -1.060 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCCCN1C ZINC001425772755 890817605 /nfs/dbraw/zinc/81/76/05/890817605.db2.gz RQJUCMRACHLCFF-WDEREUQCSA-N 0 3 286.376 -1.717 20 0 CAADHN CCNC(=O)CN[C@H](CO)CNC(=O)Cn1cncc1C ZINC001425782692 890818213 /nfs/dbraw/zinc/81/82/13/890818213.db2.gz LATYQHWZOJWDRA-NSHDSACASA-N 0 3 297.359 -1.606 20 0 CAADHN CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)c1[n-]nnc1C ZINC001425775290 890818793 /nfs/dbraw/zinc/81/87/93/890818793.db2.gz MVAWFHLTTKYSOS-VIFPVBQESA-N 0 3 298.347 -1.728 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001425809343 890824602 /nfs/dbraw/zinc/82/46/02/890824602.db2.gz PHKYTYJHQCBEQR-JTQLQIEISA-N 0 3 294.315 -1.045 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NCc1cnnn1C)N(C)C ZINC001425809169 890824925 /nfs/dbraw/zinc/82/49/25/890824925.db2.gz XWYYEEPDTQSQOM-PWSUYJOCSA-N 0 3 298.391 -1.278 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](CO)NCCn2cncn2)n1 ZINC001425822767 890826064 /nfs/dbraw/zinc/82/60/64/890826064.db2.gz OYDHGGOPZODBAR-JTQLQIEISA-N 0 3 293.331 -1.310 20 0 CAADHN Cn1cc(CN[C@@H](CO)CNC(=O)Cc2cnc[nH]2)nn1 ZINC001425818060 890826480 /nfs/dbraw/zinc/82/64/80/890826480.db2.gz GOZOLXFMKGNKNO-LLVKDONJSA-N 0 3 293.331 -1.652 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@H](CO)NCc1cnon1 ZINC001425837354 890828001 /nfs/dbraw/zinc/82/80/01/890828001.db2.gz JUPHJXJMPXTDOQ-SNVBAGLBSA-N 0 3 294.315 -1.089 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cnnn2C)[C@@H]1C ZINC001425864286 890832446 /nfs/dbraw/zinc/83/24/46/890832446.db2.gz ODSHTBJJOWHDFA-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@H]1C ZINC001425863899 890832552 /nfs/dbraw/zinc/83/25/52/890832552.db2.gz GAXRCWNXHGJJLG-SKDRFNHKSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)[C@H]1C ZINC001425863893 890833107 /nfs/dbraw/zinc/83/31/07/890833107.db2.gz GAXRCWNXHGJJLG-BXKDBHETSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1(C)C ZINC001425956217 890834958 /nfs/dbraw/zinc/83/49/58/890834958.db2.gz QVFPGYWAVBCWOI-UTLUCORTSA-N 0 3 296.371 -1.320 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cccnc1 ZINC001425975410 890835345 /nfs/dbraw/zinc/83/53/45/890835345.db2.gz VYRXTEARESMGLJ-NWDGAFQWSA-N 0 3 292.339 -1.007 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)c1cn[nH]c1 ZINC001425973927 890835666 /nfs/dbraw/zinc/83/56/66/890835666.db2.gz DAWCIVYMHFYZTA-NSHDSACASA-N 0 3 295.343 -1.289 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)c2nnn(C)n2)[C@@H]1C ZINC001425874034 890836426 /nfs/dbraw/zinc/83/64/26/890836426.db2.gz GNHSAJSROHBNRO-BDAKNGLRSA-N 0 3 295.347 -1.461 20 0 CAADHN COCCC(=O)N(C)C[C@H](O)CN[C@H](C)C(=O)N(C)C ZINC001425973667 890836633 /nfs/dbraw/zinc/83/66/33/890836633.db2.gz CVGCDCOQJFKYDZ-GHMZBOCLSA-N 0 3 289.376 -1.092 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001425963359 890836670 /nfs/dbraw/zinc/83/66/70/890836670.db2.gz LOHSOQTZTOJPHI-IUCAKERBSA-N 0 3 284.360 -1.190 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001425874037 890836982 /nfs/dbraw/zinc/83/69/82/890836982.db2.gz GNHSAJSROHBNRO-DTWKUNHWSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](O)CN(C)C(C)=O ZINC001425972481 890837502 /nfs/dbraw/zinc/83/75/02/890837502.db2.gz AYTKGOIOPQONLX-IONNQARKSA-N 0 3 274.321 -1.741 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)CCn1cncn1)C(N)=O ZINC001425975373 890837738 /nfs/dbraw/zinc/83/77/38/890837738.db2.gz UGCSXIJBFJTPPV-ZJUUUORDSA-N 0 3 298.347 -2.049 20 0 CAADHN CCO[C@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001425979212 890838604 /nfs/dbraw/zinc/83/86/04/890838604.db2.gz OWDPHIHCMNOPBF-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001425979262 890838676 /nfs/dbraw/zinc/83/86/76/890838676.db2.gz PFNVIARNYJGRBX-SNVBAGLBSA-N 0 3 297.359 -1.043 20 0 CAADHN CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001425979215 890839777 /nfs/dbraw/zinc/83/97/77/890839777.db2.gz OWDPHIHCMNOPBF-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN CCc1c(C(=O)N(C)C[C@H](O)CNCC(N)=O)cnn1C ZINC001425997676 890838910 /nfs/dbraw/zinc/83/89/10/890838910.db2.gz LOCDGTAMKSCTCE-SECBINFHSA-N 0 3 297.359 -1.510 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001426066470 890850776 /nfs/dbraw/zinc/85/07/76/890850776.db2.gz UMQFRFFGXBBZMJ-NSHDSACASA-N 0 3 275.349 -1.480 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C)c[nH]1 ZINC001425983474 890839387 /nfs/dbraw/zinc/83/93/87/890839387.db2.gz QNTVBMBWQLJKCB-SNVBAGLBSA-N 0 3 297.359 -1.171 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001425998279 890839502 /nfs/dbraw/zinc/83/95/02/890839502.db2.gz CGZRGJIVFVXPSA-QMMMGPOBSA-N 0 3 284.320 -2.416 20 0 CAADHN CCn1nccc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001425991144 890839672 /nfs/dbraw/zinc/83/96/72/890839672.db2.gz AXLRIYDJAYXJOV-NXEZZACHSA-N 0 3 297.359 -1.201 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cc1cccnc1)C(N)=O ZINC001425989790 890839795 /nfs/dbraw/zinc/83/97/95/890839795.db2.gz XVSXTDLEDZSQGK-PWSUYJOCSA-N 0 3 294.355 -1.093 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc[nH]c(=O)c1 ZINC001425988834 890839874 /nfs/dbraw/zinc/83/98/74/890839874.db2.gz RXSCHFOTZQASFX-SNVBAGLBSA-N 0 3 296.327 -1.444 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CN(C)C(=O)C(F)F ZINC001425976774 890840066 /nfs/dbraw/zinc/84/00/66/890840066.db2.gz IBERCMYMJCSZAE-ZCFIWIBFSA-N 0 3 296.274 -1.884 20 0 CAADHN Cc1nc(C)c(C(=O)N(C)C[C@@H](O)CNCC(N)=O)o1 ZINC001425983929 890840100 /nfs/dbraw/zinc/84/01/00/890840100.db2.gz FKQIPQXATZUVGJ-VIFPVBQESA-N 0 3 284.316 -1.201 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)ncn1 ZINC001425986509 890840279 /nfs/dbraw/zinc/84/02/79/890840279.db2.gz KYIDMTKQFVZQNY-UWVGGRQHSA-N 0 3 295.343 -1.319 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cocn1 ZINC001425987126 890840511 /nfs/dbraw/zinc/84/05/11/890840511.db2.gz ZPHBUVHVJQIUPI-VIFPVBQESA-N 0 3 284.316 -1.215 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)C1=COCCC1)C(N)=O ZINC001425980213 890840733 /nfs/dbraw/zinc/84/07/33/890840733.db2.gz ITUDKEYWPJUJGP-KOLCDFICSA-N 0 3 285.344 -1.037 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@@H]2CCNC2=O)on1 ZINC001425976145 890840753 /nfs/dbraw/zinc/84/07/53/890840753.db2.gz CEVPQIRQITUJTM-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C1=COCCC1 ZINC001425986203 890840830 /nfs/dbraw/zinc/84/08/30/890840830.db2.gz XRCFYVDDPXJBAZ-NSHDSACASA-N 0 3 285.344 -1.164 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1ccon1 ZINC001425990998 890840847 /nfs/dbraw/zinc/84/08/47/890840847.db2.gz UCFXDGZSZPDEEL-NSHDSACASA-N 0 3 298.343 -1.238 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CC(F)(F)F ZINC001425986209 890840893 /nfs/dbraw/zinc/84/08/93/890840893.db2.gz XSVNGIOSTMFXNG-LURJTMIESA-N 0 3 271.239 -1.167 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C)c[nH]1 ZINC001425983471 890840927 /nfs/dbraw/zinc/84/09/27/890840927.db2.gz QNTVBMBWQLJKCB-JTQLQIEISA-N 0 3 297.359 -1.171 20 0 CAADHN Cc1nc(C)c(C(=O)N(C)C[C@H](O)CNCC(N)=O)o1 ZINC001425983927 890840946 /nfs/dbraw/zinc/84/09/46/890840946.db2.gz FKQIPQXATZUVGJ-SECBINFHSA-N 0 3 284.316 -1.201 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)no1 ZINC001425985858 890840957 /nfs/dbraw/zinc/84/09/57/890840957.db2.gz QTMPPBSAWHZVGC-MRVPVSSYSA-N 0 3 270.289 -1.509 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)CCc1c[nH]cn1)C(N)=O ZINC001425998936 890841002 /nfs/dbraw/zinc/84/10/02/890841002.db2.gz FTTFXYXHBWZUEN-GXSJLCMTSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)[C@H]1CCOC1 ZINC001425985444 890841019 /nfs/dbraw/zinc/84/10/19/890841019.db2.gz VASJNGBOSYSPIA-NWDGAFQWSA-N 0 3 299.371 -1.336 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001425979510 890841141 /nfs/dbraw/zinc/84/11/41/890841141.db2.gz HCVJMMMBYLLHFV-IUCAKERBSA-N 0 3 299.335 -2.784 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cnn(C)c1N ZINC001425997675 890841248 /nfs/dbraw/zinc/84/12/48/890841248.db2.gz KBJWTCAUWNVYIL-ZETCQYMHSA-N 0 3 284.320 -2.490 20 0 CAADHN Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)c1C ZINC001425982882 890841387 /nfs/dbraw/zinc/84/13/87/890841387.db2.gz CBOHDMZWEAMPLE-VIFPVBQESA-N 0 3 283.332 -1.466 20 0 CAADHN CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001425979220 890841802 /nfs/dbraw/zinc/84/18/02/890841802.db2.gz OWDPHIHCMNOPBF-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@@H]2CCNC2=O)on1 ZINC001425976136 890841417 /nfs/dbraw/zinc/84/14/17/890841417.db2.gz CEVPQIRQITUJTM-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001425988376 890841554 /nfs/dbraw/zinc/84/15/54/890841554.db2.gz WHTYYEFLSSZBGC-SECBINFHSA-N 0 3 299.335 -2.782 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001426002591 890842950 /nfs/dbraw/zinc/84/29/50/890842950.db2.gz HRTHCCHVTCSULU-SECBINFHSA-N 0 3 298.347 -2.074 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccc(F)cn1 ZINC001426005476 890842992 /nfs/dbraw/zinc/84/29/92/890842992.db2.gz QXROWIVKLNGUMU-JTQLQIEISA-N 0 3 298.318 -1.011 20 0 CAADHN C[C@H](Cc1c[nH]cn1)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001426032431 890843805 /nfs/dbraw/zinc/84/38/05/890843805.db2.gz JRBUNSXUDHASQI-MWLCHTKSSA-N 0 3 297.359 -1.518 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1ncccn1 ZINC001426028761 890843866 /nfs/dbraw/zinc/84/38/66/890843866.db2.gz VKXBTCSIJCARGD-SNVBAGLBSA-N 0 3 295.343 -1.697 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001426021438 890844092 /nfs/dbraw/zinc/84/40/92/890844092.db2.gz DTPFBFBCNZPNRF-VIFPVBQESA-N 0 3 298.347 -1.648 20 0 CAADHN CC(C)NC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001426021438 890844098 /nfs/dbraw/zinc/84/40/98/890844098.db2.gz DTPFBFBCNZPNRF-VIFPVBQESA-N 0 3 298.347 -1.648 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1c[nH]nc1C ZINC001426018259 890844287 /nfs/dbraw/zinc/84/42/87/890844287.db2.gz MGQQEJUAHBEUMI-ZJUUUORDSA-N 0 3 297.359 -1.125 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@]1(F)CCOC1 ZINC001426021793 890844368 /nfs/dbraw/zinc/84/43/68/890844368.db2.gz FRKCUJQJZZIDIN-GZMMTYOYSA-N 0 3 277.296 -1.991 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1c[nH]nc1C ZINC001426018218 890844464 /nfs/dbraw/zinc/84/44/64/890844464.db2.gz MGQQEJUAHBEUMI-NXEZZACHSA-N 0 3 297.359 -1.125 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001426021435 890844541 /nfs/dbraw/zinc/84/45/41/890844541.db2.gz DTPFBFBCNZPNRF-SECBINFHSA-N 0 3 298.347 -1.648 20 0 CAADHN CC(C)NC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001426021435 890844547 /nfs/dbraw/zinc/84/45/47/890844547.db2.gz DTPFBFBCNZPNRF-SECBINFHSA-N 0 3 298.347 -1.648 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001426020610 890844797 /nfs/dbraw/zinc/84/47/97/890844797.db2.gz CVOWKDLWIRPLLO-PREPNJAASA-N 0 3 297.355 -1.824 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001426015653 890844900 /nfs/dbraw/zinc/84/49/00/890844900.db2.gz OYLDQVMHDPZOSM-JGVFFNPUSA-N 0 3 274.321 -2.608 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1c[nH]nc1C ZINC001426018233 890844950 /nfs/dbraw/zinc/84/49/50/890844950.db2.gz MGQQEJUAHBEUMI-UWVGGRQHSA-N 0 3 297.359 -1.125 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001426013290 890845047 /nfs/dbraw/zinc/84/50/47/890845047.db2.gz UCGIHZJCIXCYQC-SECBINFHSA-N 0 3 298.347 -2.026 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001426017582 890845316 /nfs/dbraw/zinc/84/53/16/890845316.db2.gz ZAKBRPSFVOEITJ-BDAKNGLRSA-N 0 3 298.347 -2.028 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ncccc1F ZINC001426028041 890845389 /nfs/dbraw/zinc/84/53/89/890845389.db2.gz RUZWEBCRJQRRLT-QMMMGPOBSA-N 0 3 284.291 -1.272 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001426027552 890845737 /nfs/dbraw/zinc/84/57/37/890845737.db2.gz ZZGFBTUKCNLJHU-LLVKDONJSA-N 0 3 297.359 -1.572 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cn2c(n1)CCC2 ZINC001426017255 890845771 /nfs/dbraw/zinc/84/57/71/890845771.db2.gz QSCWYTZRNIWFQE-VIFPVBQESA-N 0 3 295.343 -1.663 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ncn(C)n1)C(N)=O ZINC001426017930 890845871 /nfs/dbraw/zinc/84/58/71/890845871.db2.gz ZUGMAGLAVCGCQU-HTQZYQBOSA-N 0 3 284.320 -2.289 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001426025686 890846074 /nfs/dbraw/zinc/84/60/74/890846074.db2.gz LOTADMDSEYYAJN-DCQANWLSSA-N 0 3 299.371 -1.576 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1nonc1C ZINC001426056237 890847211 /nfs/dbraw/zinc/84/72/11/890847211.db2.gz OLQGDPXXMDVWHE-IUCAKERBSA-N 0 3 299.331 -1.465 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001426037380 890847519 /nfs/dbraw/zinc/84/75/19/890847519.db2.gz QEDOYXQBOMPVCI-IUCAKERBSA-N 0 3 286.332 -2.451 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001426057637 890847561 /nfs/dbraw/zinc/84/75/61/890847561.db2.gz HODXRHNTJJMSII-WDEREUQCSA-N 0 3 276.333 -1.855 20 0 CAADHN CCCn1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)cn1 ZINC001426038024 890848456 /nfs/dbraw/zinc/84/84/56/890848456.db2.gz RUTSTHBDXXYKBY-NSHDSACASA-N 0 3 297.359 -1.199 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001426060457 890848633 /nfs/dbraw/zinc/84/86/33/890848633.db2.gz VLNPOWMHHJZQGB-DTWKUNHWSA-N 0 3 283.332 -1.386 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]c1 ZINC001426043418 890848788 /nfs/dbraw/zinc/84/87/88/890848788.db2.gz YAXGUIOBKFWGLY-JTQLQIEISA-N 0 3 296.327 -1.444 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001426060180 890848812 /nfs/dbraw/zinc/84/88/12/890848812.db2.gz UMURUJKBOMSPEA-UWVGGRQHSA-N 0 3 295.343 -1.371 20 0 CAADHN COc1cccnc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001426045716 890849327 /nfs/dbraw/zinc/84/93/27/890849327.db2.gz OSZPRVQNBJBNHS-SECBINFHSA-N 0 3 296.327 -1.402 20 0 CAADHN CCn1nc(C)cc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001426035790 890849475 /nfs/dbraw/zinc/84/94/75/890849475.db2.gz PLIISCGQHJRVPV-SNVBAGLBSA-N 0 3 297.359 -1.281 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001426058873 890849696 /nfs/dbraw/zinc/84/96/96/890849696.db2.gz WELMDIYDAAPNLJ-MRVPVSSYSA-N 0 3 295.361 -2.685 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001426060455 890850404 /nfs/dbraw/zinc/85/04/04/890850404.db2.gz VLNPOWMHHJZQGB-BDAKNGLRSA-N 0 3 283.332 -1.386 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001426041311 890850848 /nfs/dbraw/zinc/85/08/48/890850848.db2.gz WOLUVTMTERHNPO-NSHDSACASA-N 0 3 295.343 -1.365 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1nonc1C ZINC001426056231 890850875 /nfs/dbraw/zinc/85/08/75/890850875.db2.gz OLQGDPXXMDVWHE-BDAKNGLRSA-N 0 3 299.331 -1.465 20 0 CAADHN COc1cncc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001426043678 890850934 /nfs/dbraw/zinc/85/09/34/890850934.db2.gz YLFQYDJDCZFENC-QMMMGPOBSA-N 0 3 297.315 -2.007 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@H](O)CN(C)CCO ZINC001426074373 890853859 /nfs/dbraw/zinc/85/38/59/890853859.db2.gz UNPPIPKVLFANSM-SNVBAGLBSA-N 0 3 275.349 -1.744 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001426103226 890854201 /nfs/dbraw/zinc/85/42/01/890854201.db2.gz YKWQPLKASXSTFQ-LLVKDONJSA-N 0 3 297.355 -1.258 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)CCNC(N)=O ZINC001426145590 890854324 /nfs/dbraw/zinc/85/43/24/890854324.db2.gz HAUWEUPVUTYADI-MRVPVSSYSA-N 0 3 287.364 -1.349 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C ZINC001426128553 890855247 /nfs/dbraw/zinc/85/52/47/890855247.db2.gz AOAUAPYRVVUQCL-QMMMGPOBSA-N 0 3 288.348 -1.052 20 0 CAADHN COCC(=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001426528871 890859609 /nfs/dbraw/zinc/85/96/09/890859609.db2.gz HHAWJLICYWQDQZ-GHMZBOCLSA-N 0 3 299.371 -1.195 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)COC)C[C@@H]1O)N(C)C ZINC001426679799 890862938 /nfs/dbraw/zinc/86/29/38/890862938.db2.gz XLRULESNGNWHDZ-VWYCJHECSA-N 0 3 287.360 -1.339 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1O ZINC001426638748 890864372 /nfs/dbraw/zinc/86/43/72/890864372.db2.gz VEBFUSPXPBVTJK-MNOVXSKESA-N 0 3 299.371 -1.195 20 0 CAADHN COCCN(C)CCNC(=O)NC[C@@H]1CNC(=O)C1 ZINC001426836094 890865579 /nfs/dbraw/zinc/86/55/79/890865579.db2.gz OVQXGUBGMLDJKT-JTQLQIEISA-N 0 3 272.349 -1.000 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)COC)N(C)C ZINC001427735212 890879242 /nfs/dbraw/zinc/87/92/42/890879242.db2.gz LSWWHCLLTATDMF-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN CC[C@@H](C(=O)N[C@H](CO)CNC(=O)COC)N(C)C ZINC001427735209 890880543 /nfs/dbraw/zinc/88/05/43/890880543.db2.gz LSWWHCLLTATDMF-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN CC[C@H](C(=O)N[C@@H](CO)CNC(=O)[C@H](C)OC)N(C)C ZINC001427755741 890884622 /nfs/dbraw/zinc/88/46/22/890884622.db2.gz CVOMSRIIVHPQBH-HBNTYKKESA-N 0 3 289.376 -1.045 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001427777277 890887982 /nfs/dbraw/zinc/88/79/82/890887982.db2.gz UHKGCKRLUYWZJT-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)c1cnon1 ZINC001427861561 890894697 /nfs/dbraw/zinc/89/46/97/890894697.db2.gz NPKVLTMTTBRFKS-SECBINFHSA-N 0 3 299.331 -1.383 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)c1cnon1 ZINC001427861566 890895159 /nfs/dbraw/zinc/89/51/59/890895159.db2.gz NPKVLTMTTBRFKS-VIFPVBQESA-N 0 3 299.331 -1.383 20 0 CAADHN CN(C)c1n[nH]c(CNC(=O)NC[C@]2(O)CCN(C)C2)n1 ZINC001428235152 890911755 /nfs/dbraw/zinc/91/17/55/890911755.db2.gz QAWWNNXIWNRSIW-GFCCVEGCSA-N 0 3 297.363 -1.264 20 0 CAADHN CN(C)c1n[nH]c(CNC(=O)NC[C@@]2(O)CCN(C)C2)n1 ZINC001428235170 890912134 /nfs/dbraw/zinc/91/21/34/890912134.db2.gz QAWWNNXIWNRSIW-LBPRGKRZSA-N 0 3 297.363 -1.264 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001428642767 890921003 /nfs/dbraw/zinc/92/10/03/890921003.db2.gz ZELOFZLMQUEDAE-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)COC)C1)N(C)C ZINC001428784105 890925483 /nfs/dbraw/zinc/92/54/83/890925483.db2.gz UXVNRQNGWSNOPM-OUAUKWLOSA-N 0 3 287.360 -1.339 20 0 CAADHN COCC(=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001428924534 890929441 /nfs/dbraw/zinc/92/94/41/890929441.db2.gz HHAWJLICYWQDQZ-MNOVXSKESA-N 0 3 299.371 -1.195 20 0 CAADHN CC(C)N(C)CC(=O)NCCN(C)C(=O)CNC(N)=O ZINC001429305905 890935290 /nfs/dbraw/zinc/93/52/90/890935290.db2.gz FCCMIUFLPSNWBW-UHFFFAOYSA-N 0 3 287.364 -1.431 20 0 CAADHN CCCN(C)CC(=O)N(C)CCNC(=O)c1nnn(C)n1 ZINC001429426954 890937657 /nfs/dbraw/zinc/93/76/57/890937657.db2.gz MMHQWGOBCJZJLI-UHFFFAOYSA-N 0 3 297.363 -1.260 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)CNC(N)=O)C1 ZINC001429496438 890941839 /nfs/dbraw/zinc/94/18/39/890941839.db2.gz QPYKELHPHXPQKP-SNVBAGLBSA-N 0 3 299.375 -1.429 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)CNC(C)=O)C1)N(C)C ZINC001430137766 890945678 /nfs/dbraw/zinc/94/56/78/890945678.db2.gz JPKVSWDRMMIEFV-NSHDSACASA-N 0 3 284.360 -1.210 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC001430145840 890946710 /nfs/dbraw/zinc/94/67/10/890946710.db2.gz VOWXOLKTOITXBS-UHFFFAOYSA-N 0 3 295.347 -1.660 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)CNC(N)=O)C1)N(C)C ZINC001430249261 890950867 /nfs/dbraw/zinc/95/08/67/890950867.db2.gz USFGOZQWRMSNLF-SECBINFHSA-N 0 3 285.348 -1.678 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001430271445 890952121 /nfs/dbraw/zinc/95/21/21/890952121.db2.gz NFDQUIRUVVVMGF-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN COCCC(=O)NC[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001431454225 890972071 /nfs/dbraw/zinc/97/20/71/890972071.db2.gz FYCVQSMRSFJGIA-JTQLQIEISA-N 0 3 298.343 -1.110 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001431489723 890979692 /nfs/dbraw/zinc/97/96/92/890979692.db2.gz JVQVERHSQSXWJW-NSHDSACASA-N 0 3 297.359 -1.043 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001431549706 890981294 /nfs/dbraw/zinc/98/12/94/890981294.db2.gz SMAJALUSZYICGC-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001431671642 890987633 /nfs/dbraw/zinc/98/76/33/890987633.db2.gz LAHDVAIZPIIUDZ-KXUCPTDWSA-N 0 3 299.375 -1.371 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001431728689 890988786 /nfs/dbraw/zinc/98/87/86/890988786.db2.gz CFYGNTQVIBEODW-KXUCPTDWSA-N 0 3 299.375 -1.371 20 0 CAADHN CC(=O)NCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001432182487 890993992 /nfs/dbraw/zinc/99/39/92/890993992.db2.gz ANIUCTKHIFYWSY-UHFFFAOYSA-N 0 3 282.344 -1.455 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001432216895 890997865 /nfs/dbraw/zinc/99/78/65/890997865.db2.gz GXIGKMSVCFOZNV-WCBMZHEXSA-N 0 3 297.359 -1.536 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC001432302659 891000137 /nfs/dbraw/zinc/00/01/37/891000137.db2.gz KVCNXVGASGAJDP-UHFFFAOYSA-N 0 3 295.347 -1.658 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001433280239 891023289 /nfs/dbraw/zinc/02/32/89/891023289.db2.gz QTUZJMPIGADHBB-JTQLQIEISA-N 0 3 297.359 -1.043 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001433263297 891023331 /nfs/dbraw/zinc/02/33/31/891023331.db2.gz ZWTFKSYYSBOJRS-NXEZZACHSA-N 0 3 298.343 -1.111 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001433263302 891023615 /nfs/dbraw/zinc/02/36/15/891023615.db2.gz ZWTFKSYYSBOJRS-VHSXEESVSA-N 0 3 298.343 -1.111 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001433280241 891024845 /nfs/dbraw/zinc/02/48/45/891024845.db2.gz QTUZJMPIGADHBB-SNVBAGLBSA-N 0 3 297.359 -1.043 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](O)CNC(=O)c1cnon1 ZINC001433300564 891027575 /nfs/dbraw/zinc/02/75/75/891027575.db2.gz WMEJNFNJRQXMDU-SECBINFHSA-N 0 3 299.331 -1.382 20 0 CAADHN CC[C@@H](C(=O)N[C@H](C)CNC(=O)Cn1cnnn1)N(C)C ZINC001433461974 891032311 /nfs/dbraw/zinc/03/23/11/891032311.db2.gz WHWONWFRJJEPPG-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)CNC(N)=O ZINC001433552807 891034839 /nfs/dbraw/zinc/03/48/39/891034839.db2.gz PVNJADLPMARQDA-VIFPVBQESA-N 0 3 287.364 -1.384 20 0 CAADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C2(O)COC2)CC1 ZINC001433634726 891040653 /nfs/dbraw/zinc/04/06/53/891040653.db2.gz JVUGXLQJXWRWPK-NSHDSACASA-N 0 3 297.355 -1.312 20 0 CAADHN CCN1CCN(CCNC(=O)[C@]2(O)CCOC2)CC1 ZINC001433666464 891043317 /nfs/dbraw/zinc/04/33/17/891043317.db2.gz XXHLQIMFSQVCCM-ZDUSSCGKSA-N 0 3 271.361 -1.109 20 0 CAADHN C[C@H](CNC(=O)C1(O)COC1)CN1CCN(C)CC1 ZINC001433663187 891043466 /nfs/dbraw/zinc/04/34/66/891043466.db2.gz RJDSGXFVUXWVGU-LLVKDONJSA-N 0 3 271.361 -1.253 20 0 CAADHN Cc1cn2nc(C(=O)N[C@@H](CO)CN(C)C)cc2c(=O)[nH]1 ZINC001433962526 891066424 /nfs/dbraw/zinc/06/64/24/891066424.db2.gz BWISYVWZFSKQIF-SECBINFHSA-N 0 3 293.327 -1.017 20 0 CAADHN CCCN(C)CC(=O)N(C)C1CN(C(=O)CNC(N)=O)C1 ZINC001434089978 891077357 /nfs/dbraw/zinc/07/73/57/891077357.db2.gz UCZVYRGNAFPARA-UHFFFAOYSA-N 0 3 299.375 -1.334 20 0 CAADHN Cn1cnnc1COCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001434148576 891082883 /nfs/dbraw/zinc/08/28/83/891082883.db2.gz AUEFZORYTGUBOD-WDEREUQCSA-N 0 3 295.343 -1.391 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@@H]1CN2CCC1CC2)C(N)=O ZINC001434331409 891103623 /nfs/dbraw/zinc/10/36/23/891103623.db2.gz QGHYQDMDGDTWEA-WDEREUQCSA-N 0 3 282.344 -1.423 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CN(C)CC1(C)C ZINC001434379327 891111485 /nfs/dbraw/zinc/11/14/85/891111485.db2.gz BCOAOJZDTOYPTA-SECBINFHSA-N 0 3 292.405 -1.161 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@H](CO)[C@H](CCO)C1 ZINC001434438286 891115635 /nfs/dbraw/zinc/11/56/35/891115635.db2.gz HVNCUFQHDHQFTM-MCIONIFRSA-N 0 3 297.399 -1.174 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@@H](CO)[C@H](CCO)C1 ZINC001434438288 891115695 /nfs/dbraw/zinc/11/56/95/891115695.db2.gz HVNCUFQHDHQFTM-RDBSUJKOSA-N 0 3 297.399 -1.174 20 0 CAADHN CN(CC(=O)N1CCN(C)CC1)c1nc(N)nc(N)n1 ZINC001434447634 891118351 /nfs/dbraw/zinc/11/83/51/891118351.db2.gz OZXZREPBOHMDAU-UHFFFAOYSA-N 0 3 280.336 -1.754 20 0 CAADHN NC(=O)[C@@](O)(CN1CC[C@@H](O)[C@@H](O)C1)c1ccccc1 ZINC001434481288 891120033 /nfs/dbraw/zinc/12/00/33/891120033.db2.gz DHNWJXUSUIOBME-MBNYWOFBSA-N 0 3 280.324 -1.213 20 0 CAADHN OCC1(O)CCN(C[C@H](O)C2(O)CCOCC2)CC1 ZINC001434478957 891120257 /nfs/dbraw/zinc/12/02/57/891120257.db2.gz ISSNMBSLLZUSPD-NSHDSACASA-N 0 3 275.345 -1.292 20 0 CAADHN CC(C)N1CC[C@H](N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001434482577 891120538 /nfs/dbraw/zinc/12/05/38/891120538.db2.gz NRVDHLHHUHTOTL-BBBLOLIVSA-N 0 3 282.344 -1.486 20 0 CAADHN COC(=O)Cn1cc(CCN2C[C@@H](O)C[C@@]2(C)CO)nn1 ZINC001434481002 891121460 /nfs/dbraw/zinc/12/14/60/891121460.db2.gz OJXGVAKXTGUXER-AAEUAGOBSA-N 0 3 298.343 -1.189 20 0 CAADHN O=S1(=O)CCC[C@H](NC[C@@H](O)Cn2ccnn2)C1 ZINC001434529646 891124002 /nfs/dbraw/zinc/12/40/02/891124002.db2.gz TXEVGDCELPRRPI-VHSXEESVSA-N 0 3 274.346 -1.194 20 0 CAADHN C[C@@H](O)[C@@H](O)CN1CCCN(CC(=O)N(C)C)CC1 ZINC001434489658 891124447 /nfs/dbraw/zinc/12/44/47/891124447.db2.gz XYBRYBICJVGJPO-NEPJUHHUSA-N 0 3 273.377 -1.176 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCCN(CC(=O)N(C)C)CC1 ZINC001434489662 891124471 /nfs/dbraw/zinc/12/44/71/891124471.db2.gz XYBRYBICJVGJPO-RYUDHWBXSA-N 0 3 273.377 -1.176 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCCN(CC(=O)N(C)C)CC1 ZINC001434489659 891125653 /nfs/dbraw/zinc/12/56/53/891125653.db2.gz XYBRYBICJVGJPO-NWDGAFQWSA-N 0 3 273.377 -1.176 20 0 CAADHN CCCS(=O)(=O)CC(=O)NC[C@@H](C)NCC(=O)NC ZINC001437256207 891171100 /nfs/dbraw/zinc/17/11/00/891171100.db2.gz CKXULEDFHBXKPN-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN COCCN(C)CCNC(=O)N1C[C@H](CO)[C@H](O)C1 ZINC001434770487 891135881 /nfs/dbraw/zinc/13/58/81/891135881.db2.gz NAUPENQKIWFJSZ-GHMZBOCLSA-N 0 3 275.349 -1.441 20 0 CAADHN Cn1ncc(NC(=O)NCCN2CC[C@H](O)C2)cc1=O ZINC001434758375 891136147 /nfs/dbraw/zinc/13/61/47/891136147.db2.gz YIUAKYOLRCLNMF-JTQLQIEISA-N 0 3 281.316 -1.032 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001437520759 891183484 /nfs/dbraw/zinc/18/34/84/891183484.db2.gz OANCBIGECHJBBN-RKDXNWHRSA-N 0 3 281.378 -1.647 20 0 CAADHN CN1CCCN(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)CC1 ZINC001434799198 891140517 /nfs/dbraw/zinc/14/05/17/891140517.db2.gz JUPCVMJZOIBJKH-VIFPVBQESA-N 0 3 283.332 -1.036 20 0 CAADHN CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)Cn2ncnn2)n1 ZINC001436429779 891150019 /nfs/dbraw/zinc/15/00/19/891150019.db2.gz DDFMWQCHUSNPNP-UHFFFAOYSA-N 0 3 292.303 -1.405 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](N(CCO)CCO)C1 ZINC001436449580 891150339 /nfs/dbraw/zinc/15/03/39/891150339.db2.gz KDFIRMLXAQHWQN-LBPRGKRZSA-N 0 3 287.360 -1.600 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001436478782 891151460 /nfs/dbraw/zinc/15/14/60/891151460.db2.gz LLOIREMUKUFPEW-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)CCn2cncn2)C1 ZINC001436718770 891153588 /nfs/dbraw/zinc/15/35/88/891153588.db2.gz GLUPKJJYEBNEJQ-NWDGAFQWSA-N 0 3 297.359 -1.134 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001436593118 891154022 /nfs/dbraw/zinc/15/40/22/891154022.db2.gz NSHDWNUJBURNRH-DTWKUNHWSA-N 0 3 294.359 -1.059 20 0 CAADHN CNC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(N)=O ZINC001436667256 891154148 /nfs/dbraw/zinc/15/41/48/891154148.db2.gz JNNPPUIBKWIWTP-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN Cn1nnc(C(=O)NCCN2CCN(CC3CC3)CC2)n1 ZINC001436702063 891154279 /nfs/dbraw/zinc/15/42/79/891154279.db2.gz BPKIPRMWFHHXNY-UHFFFAOYSA-N 0 3 293.375 -1.033 20 0 CAADHN CNC(=O)NCC(=O)N1CCCC[C@H]1[C@H](C)NCC(N)=O ZINC001436667255 891154733 /nfs/dbraw/zinc/15/47/33/891154733.db2.gz JNNPPUIBKWIWTP-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)CC1=O ZINC001436799131 891155925 /nfs/dbraw/zinc/15/59/25/891155925.db2.gz YGQWMHYVKYSMRA-ZJUUUORDSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C1CN(C(C)=O)C1)C1CC1 ZINC001436787024 891155637 /nfs/dbraw/zinc/15/56/37/891155637.db2.gz XMEWNOHKLFNOKG-LBPRGKRZSA-N 0 3 296.371 -1.305 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001436772175 891155710 /nfs/dbraw/zinc/15/57/10/891155710.db2.gz XOXBSSYAXGSVIW-MRVPVSSYSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CCn1cnnn1)C1CC1 ZINC001436827257 891155891 /nfs/dbraw/zinc/15/58/91/891155891.db2.gz MDBBPFGNOXPHBO-JTQLQIEISA-N 0 3 295.347 -1.706 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001436743258 891155985 /nfs/dbraw/zinc/15/59/85/891155985.db2.gz CQITWRSYAVDIGV-JTQLQIEISA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H](C)NC(C)=O)C1CC1 ZINC001436768431 891156026 /nfs/dbraw/zinc/15/60/26/891156026.db2.gz OBAIJGAPDWPJMR-GZMMTYOYSA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CCn1cnnn1)C1CC1 ZINC001436827258 891156060 /nfs/dbraw/zinc/15/60/60/891156060.db2.gz MDBBPFGNOXPHBO-SNVBAGLBSA-N 0 3 295.347 -1.706 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001436765506 891156081 /nfs/dbraw/zinc/15/60/81/891156081.db2.gz DXSHUEBGFDQICV-XVKPBYJWSA-N 0 3 270.333 -1.519 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001436869226 891156106 /nfs/dbraw/zinc/15/61/06/891156106.db2.gz DPUNJYJQYABAKH-QMMMGPOBSA-N 0 3 281.320 -1.898 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001436877290 891156123 /nfs/dbraw/zinc/15/61/23/891156123.db2.gz IIUCMMMKFSHTMI-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001436765485 891156395 /nfs/dbraw/zinc/15/63/95/891156395.db2.gz DXSHUEBGFDQICV-OIBJUYFYSA-N 0 3 270.333 -1.519 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001436800728 891156410 /nfs/dbraw/zinc/15/64/10/891156410.db2.gz SKEQMRZJXYGHCY-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001436765479 891156646 /nfs/dbraw/zinc/15/66/46/891156646.db2.gz DXSHUEBGFDQICV-GMSGAONNSA-N 0 3 270.333 -1.519 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC1=O ZINC001436799113 891157206 /nfs/dbraw/zinc/15/72/06/891157206.db2.gz YGQWMHYVKYSMRA-NXEZZACHSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C1CN(C(C)=O)C1)C1CC1 ZINC001436787022 891157302 /nfs/dbraw/zinc/15/73/02/891157302.db2.gz XMEWNOHKLFNOKG-GFCCVEGCSA-N 0 3 296.371 -1.305 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001436772179 891157332 /nfs/dbraw/zinc/15/73/32/891157332.db2.gz XOXBSSYAXGSVIW-QMMMGPOBSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@H](CNC(=O)Cn1cccn1)N[C@H](C)C(=O)NC(N)=O ZINC001437107914 891160794 /nfs/dbraw/zinc/16/07/94/891160794.db2.gz KJHOJFQNARAFMJ-RKDXNWHRSA-N 0 3 296.331 -1.439 20 0 CAADHN C[C@@H](CNC(=O)CCn1cncn1)NCC(=O)N(C)C ZINC001437113739 891160848 /nfs/dbraw/zinc/16/08/48/891160848.db2.gz XDVHSQKOYKYGIJ-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@@H](CNC(=O)c1cnsn1)NCC(=O)NC(N)=O ZINC001437111287 891160865 /nfs/dbraw/zinc/16/08/65/891160865.db2.gz OLCUKBKGGPDAIW-YFKPBYRVSA-N 0 3 286.317 -1.559 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001437106270 891160984 /nfs/dbraw/zinc/16/09/84/891160984.db2.gz TXMFDPHALDSNAZ-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cnn(C)c1 ZINC001437111118 891161185 /nfs/dbraw/zinc/16/11/85/891161185.db2.gz VBCXYOOSXUAHLX-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C1CC1)N[C@@H](C)C(N)=O ZINC001437108070 891161303 /nfs/dbraw/zinc/16/13/03/891161303.db2.gz OVSWJHBMVSPPLZ-SFYZADRCSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](CNC(=O)Cn1cccn1)N[C@@H](C)C(=O)NC(N)=O ZINC001437107910 891161313 /nfs/dbraw/zinc/16/13/13/891161313.db2.gz KJHOJFQNARAFMJ-IUCAKERBSA-N 0 3 296.331 -1.439 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001437103419 891161507 /nfs/dbraw/zinc/16/15/07/891161507.db2.gz BZXUOPZCHUXFSV-BDAKNGLRSA-N 0 3 284.360 -1.259 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C1CC1)N[C@H](C)C(N)=O ZINC001437108067 891162413 /nfs/dbraw/zinc/16/24/13/891162413.db2.gz OVSWJHBMVSPPLZ-HTQZYQBOSA-N 0 3 270.333 -1.519 20 0 CAADHN COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001437076851 891162468 /nfs/dbraw/zinc/16/24/68/891162468.db2.gz ZEOBMPZMDPQDTN-ROHXPCBUSA-N 0 3 297.355 -1.417 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001437103420 891162753 /nfs/dbraw/zinc/16/27/53/891162753.db2.gz BZXUOPZCHUXFSV-DTWKUNHWSA-N 0 3 284.360 -1.259 20 0 CAADHN COCC(=O)NC[C@@H](C)NCCN(C)S(C)(=O)=O ZINC001437096273 891162806 /nfs/dbraw/zinc/16/28/06/891162806.db2.gz XQWDIINAUUJMTC-SECBINFHSA-N 0 3 281.378 -1.382 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001437049112 891162912 /nfs/dbraw/zinc/16/29/12/891162912.db2.gz ITRMVZQTIBYJOF-ZJUUUORDSA-N 0 3 284.360 -1.046 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001437103421 891162961 /nfs/dbraw/zinc/16/29/61/891162961.db2.gz BZXUOPZCHUXFSV-IUCAKERBSA-N 0 3 284.360 -1.259 20 0 CAADHN COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001437076850 891162988 /nfs/dbraw/zinc/16/29/88/891162988.db2.gz ZEOBMPZMDPQDTN-RNWYCLNJSA-N 0 3 297.355 -1.417 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COCCO1)NCC(=O)NC1CC1 ZINC001437109479 891163081 /nfs/dbraw/zinc/16/30/81/891163081.db2.gz QOLKJBQNSQQOMH-ONGXEEELSA-N 0 3 285.344 -1.225 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001437141704 891164047 /nfs/dbraw/zinc/16/40/47/891164047.db2.gz CJVSMLSQJOHCIK-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)NCC(=O)NC1CC1 ZINC001437128971 891164292 /nfs/dbraw/zinc/16/42/92/891164292.db2.gz VNHUIXIKRUERCP-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ncn(C)n1)C(=O)N(C)C ZINC001437139089 891164344 /nfs/dbraw/zinc/16/43/44/891164344.db2.gz YZELDBUZQOFWSU-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001437116819 891164508 /nfs/dbraw/zinc/16/45/08/891164508.db2.gz FDHMMZWPDKEJRL-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)N[C@@H](C)C(=O)N(C)C ZINC001437139092 891164606 /nfs/dbraw/zinc/16/46/06/891164606.db2.gz YZELDBUZQOFWSU-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)[C@H]2COC(=O)N2)n[nH]1 ZINC001437128727 891164692 /nfs/dbraw/zinc/16/46/92/891164692.db2.gz UTDYSTHFQVBEFJ-HTRCEHHLSA-N 0 3 282.304 -1.184 20 0 CAADHN C[C@H](CNC(=O)CS(C)(=O)=O)NCC(=O)NC1CC1 ZINC001437118368 891164705 /nfs/dbraw/zinc/16/47/05/891164705.db2.gz XYVOBVRNCZGTIY-MRVPVSSYSA-N 0 3 291.373 -1.596 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC ZINC001437149412 891164841 /nfs/dbraw/zinc/16/48/41/891164841.db2.gz FWIXAYATTUPOGC-SFYZADRCSA-N 0 3 273.337 -1.856 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001437141712 891164866 /nfs/dbraw/zinc/16/48/66/891164866.db2.gz CJVSMLSQJOHCIK-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C)NCC(N)=O ZINC001437139259 891164882 /nfs/dbraw/zinc/16/48/82/891164882.db2.gz QUJIGJWJLOPKGV-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001437133776 891164895 /nfs/dbraw/zinc/16/48/95/891164895.db2.gz AEQMMFIYFYXHMW-ZDMBXUJBSA-N 0 3 298.343 -1.427 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001437153805 891164963 /nfs/dbraw/zinc/16/49/63/891164963.db2.gz JYWWTZMXHVUQMQ-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNC(=O)CCn1ccnn1)NCC(=O)N1CCC1 ZINC001437122738 891164975 /nfs/dbraw/zinc/16/49/75/891164975.db2.gz QVAXSUNPSSOAEL-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C)NCC(N)=O ZINC001437139255 891165083 /nfs/dbraw/zinc/16/50/83/891165083.db2.gz QUJIGJWJLOPKGV-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](CNC(=O)CS(C)(=O)=O)NCC(=O)NC1CC1 ZINC001437118371 891165096 /nfs/dbraw/zinc/16/50/96/891165096.db2.gz XYVOBVRNCZGTIY-QMMMGPOBSA-N 0 3 291.373 -1.596 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001437155230 891165191 /nfs/dbraw/zinc/16/51/91/891165191.db2.gz XURRUQPZTIFVMR-SSDOTTSWSA-N 0 3 291.315 -1.193 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)CC(C)(C)O ZINC001437125615 891165202 /nfs/dbraw/zinc/16/52/02/891165202.db2.gz USCSOXNDPSAFKO-MRVPVSSYSA-N 0 3 288.348 -1.303 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](C)N[C@@H]2CCNC2=O)C1 ZINC001437128899 891165215 /nfs/dbraw/zinc/16/52/15/891165215.db2.gz ZJKJZBMMWNZLLE-LDYMZIIASA-N 0 3 282.344 -1.553 20 0 CAADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)NCC(=O)N(C)C ZINC001437150833 891165582 /nfs/dbraw/zinc/16/55/82/891165582.db2.gz QGDGXRGKKBAMIY-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNC(=O)c1cnnn1C)N[C@@H](C)C(=O)N(C)C ZINC001437119467 891165598 /nfs/dbraw/zinc/16/55/98/891165598.db2.gz BXSHLYWCXHJVOQ-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)[C@H]2COC(=O)N2)n[nH]1 ZINC001437128737 891165712 /nfs/dbraw/zinc/16/57/12/891165712.db2.gz UTDYSTHFQVBEFJ-POYBYMJQSA-N 0 3 282.304 -1.184 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)Cn1ncnn1 ZINC001437129458 891165846 /nfs/dbraw/zinc/16/58/46/891165846.db2.gz KBKYNYDTMREVKQ-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001437151902 891165874 /nfs/dbraw/zinc/16/58/74/891165874.db2.gz WMPXAXNIUOAAMF-SECBINFHSA-N 0 3 294.359 -1.004 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cnnn1C)C(=O)N(C)C ZINC001437119463 891165896 /nfs/dbraw/zinc/16/58/96/891165896.db2.gz BXSHLYWCXHJVOQ-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@H](C)CNC(=O)Cn1ncnn1 ZINC001437129464 891166026 /nfs/dbraw/zinc/16/60/26/891166026.db2.gz KBKYNYDTMREVKQ-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC ZINC001437149411 891166046 /nfs/dbraw/zinc/16/60/46/891166046.db2.gz FWIXAYATTUPOGC-JGVFFNPUSA-N 0 3 273.337 -1.856 20 0 CAADHN CCN1C[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)CC1=O ZINC001437152622 891166392 /nfs/dbraw/zinc/16/63/92/891166392.db2.gz JJBJZEXIXUVFOL-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CNC(=O)c1ccc2n[nH]nc2n1)NCC(N)=O ZINC001437155862 891166429 /nfs/dbraw/zinc/16/64/29/891166429.db2.gz YQPMBPFZIABIEY-ZCFIWIBFSA-N 0 3 277.288 -1.454 20 0 CAADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)NCC(N)=O ZINC001437186219 891167000 /nfs/dbraw/zinc/16/70/00/891167000.db2.gz JUKMRMLZDIKSCW-MRVPVSSYSA-N 0 3 271.321 -3.002 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)NCC(=O)NCC1CC1 ZINC001437190040 891167311 /nfs/dbraw/zinc/16/73/11/891167311.db2.gz UDVMJVRVXYTHHG-QMMMGPOBSA-N 0 3 295.347 -1.556 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cncc(OC)n1 ZINC001437217261 891167437 /nfs/dbraw/zinc/16/74/37/891167437.db2.gz SWKIEDGYUOXUPK-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N(C)C1CC1 ZINC001437194162 891167539 /nfs/dbraw/zinc/16/75/39/891167539.db2.gz IKFSBQGRDWIWQJ-WCBMZHEXSA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)NCC(N)=O ZINC001437203180 891167671 /nfs/dbraw/zinc/16/76/71/891167671.db2.gz NXSGDICIZDYAJX-RNFRBKRXSA-N 0 3 280.350 -2.496 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N(C)C1CC1 ZINC001437193697 891167821 /nfs/dbraw/zinc/16/78/21/891167821.db2.gz IKFSBQGRDWIWQJ-PSASIEDQSA-N 0 3 297.359 -1.617 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccnc2n[nH]nc21 ZINC001437168586 891167893 /nfs/dbraw/zinc/16/78/93/891167893.db2.gz MHHYNXREBMXIMW-SSDOTTSWSA-N 0 3 291.315 -1.193 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)NCC(=O)N1CCC1 ZINC001437170178 891167937 /nfs/dbraw/zinc/16/79/37/891167937.db2.gz WSYQYQPPIZLXJA-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCc2nnn(C)c2C1)NCC(N)=O ZINC001437203895 891168040 /nfs/dbraw/zinc/16/80/40/891168040.db2.gz TVYYJJXTALFZEF-BDAKNGLRSA-N 0 3 294.359 -1.500 20 0 CAADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCC(=O)N(C)C ZINC001437191030 891168295 /nfs/dbraw/zinc/16/82/95/891168295.db2.gz DHGDZNOOYQIFOQ-RNCFNFMXSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)NCc1cncn1C ZINC001437189691 891168424 /nfs/dbraw/zinc/16/84/24/891168424.db2.gz TUDJQAXWNCVTNF-QMMMGPOBSA-N 0 3 278.320 -1.148 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001437192351 891168589 /nfs/dbraw/zinc/16/85/89/891168589.db2.gz CXPKRZMXLHBYGB-DTWKUNHWSA-N 0 3 285.348 -1.712 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)NCC(N)=O ZINC001437186664 891168612 /nfs/dbraw/zinc/16/86/12/891168612.db2.gz ZFJKNXMNHPRURP-APPZFPTMSA-N 0 3 294.315 -2.055 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001437207807 891168710 /nfs/dbraw/zinc/16/87/10/891168710.db2.gz OEQAKFQUXRUXLR-AEJSXWLSSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(=O)N(C)C ZINC001437188627 891168789 /nfs/dbraw/zinc/16/87/89/891168789.db2.gz PZUHUAOCMQJYMV-DTWKUNHWSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)NCC(=O)NC1CC1 ZINC001437220916 891168804 /nfs/dbraw/zinc/16/88/04/891168804.db2.gz FFRSKHQNYPOFCS-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(=O)N(C)C ZINC001437188628 891168880 /nfs/dbraw/zinc/16/88/80/891168880.db2.gz PZUHUAOCMQJYMV-IUCAKERBSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)NCC(N)=O ZINC001437167425 891169061 /nfs/dbraw/zinc/16/90/61/891169061.db2.gz MXPCSIZUYFIAEU-SECBINFHSA-N 0 3 285.348 -2.660 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)NCC(=O)NCC1CC1 ZINC001437189990 891169017 /nfs/dbraw/zinc/16/90/17/891169017.db2.gz UDVMJVRVXYTHHG-MRVPVSSYSA-N 0 3 295.347 -1.556 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(=O)N(C)C ZINC001437188615 891169155 /nfs/dbraw/zinc/16/91/55/891169155.db2.gz PZUHUAOCMQJYMV-BDAKNGLRSA-N 0 3 285.348 -1.808 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1c[nH]nc1C ZINC001437185097 891169177 /nfs/dbraw/zinc/16/91/77/891169177.db2.gz GGYYEGZXHBKPAM-ZETCQYMHSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@H](CNC(=O)C1(NC(N)=O)CCCCC1)NCC(N)=O ZINC001437216283 891169279 /nfs/dbraw/zinc/16/92/79/891169279.db2.gz VDQIZLGRXMAQCF-SECBINFHSA-N 0 3 299.375 -1.063 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N(C)C1CC1 ZINC001437193701 891169312 /nfs/dbraw/zinc/16/93/12/891169312.db2.gz IKFSBQGRDWIWQJ-SCZZXKLOSA-N 0 3 297.359 -1.617 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccc(=O)n(C)c1 ZINC001437160272 891169393 /nfs/dbraw/zinc/16/93/93/891169393.db2.gz IAZBTIZVGYRDAN-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccccc1=O)N[C@H]1CCNC1=O ZINC001437241643 891170387 /nfs/dbraw/zinc/17/03/87/891170387.db2.gz CCBAMOFFIMDKPF-QWRGUYRKSA-N 0 3 292.339 -1.169 20 0 CAADHN CCC(=O)N1CC[C@H](C(=O)NC[C@@H](C)NCC(N)=O)C1 ZINC001437244892 891170443 /nfs/dbraw/zinc/17/04/43/891170443.db2.gz WSTYXMCMODEOKT-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001437228957 891170781 /nfs/dbraw/zinc/17/07/81/891170781.db2.gz WVYVKDQKAUBFBU-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](CNC(=O)c1cccnn1)NCC(=O)NC(N)=O ZINC001437227467 891170871 /nfs/dbraw/zinc/17/08/71/891170871.db2.gz WOPKFYKLZARYOD-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001437262338 891170995 /nfs/dbraw/zinc/17/09/95/891170995.db2.gz OCDLAJQZNNXJIK-RKDXNWHRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)NCC(N)=O ZINC001437248118 891171032 /nfs/dbraw/zinc/17/10/32/891171032.db2.gz NDKQSAJGMYZYGO-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCC(=O)N1CC[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)C1 ZINC001437244887 891171123 /nfs/dbraw/zinc/17/11/23/891171123.db2.gz WSTYXMCMODEOKT-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001437233281 891171279 /nfs/dbraw/zinc/17/12/79/891171279.db2.gz FWKJDIPWGRCGNW-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CNC(=O)c1cccnn1)NCC(=O)NC(N)=O ZINC001437227463 891171297 /nfs/dbraw/zinc/17/12/97/891171297.db2.gz WOPKFYKLZARYOD-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN Cc1cc(C)n(CC(=O)NC[C@H](C)NCC(N)=O)c(=O)n1 ZINC001437224930 891171347 /nfs/dbraw/zinc/17/13/47/891171347.db2.gz VLEOBWZRDJYUFZ-VIFPVBQESA-N 0 3 295.343 -1.560 20 0 CAADHN CCC(=O)N1CC[C@H](C(=O)NC[C@H](C)NCC(N)=O)C1 ZINC001437244889 891171383 /nfs/dbraw/zinc/17/13/83/891171383.db2.gz WSTYXMCMODEOKT-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNC(=O)Cc1cncn1C)N[C@@H]1CCNC1=O ZINC001437235861 891171423 /nfs/dbraw/zinc/17/14/23/891171423.db2.gz KNUVNBJSBCFJAR-GXSJLCMTSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCC(=O)N(C)C ZINC001437271406 891171456 /nfs/dbraw/zinc/17/14/56/891171456.db2.gz KECNAFBDJWKLGY-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccccc1=O)N[C@@H]1CCNC1=O ZINC001437241649 891171606 /nfs/dbraw/zinc/17/16/06/891171606.db2.gz CCBAMOFFIMDKPF-WDEREUQCSA-N 0 3 292.339 -1.169 20 0 CAADHN CCC(=O)N1CC[C@@H](C(=O)NC[C@H](C)NCC(N)=O)C1 ZINC001437244890 891171805 /nfs/dbraw/zinc/17/18/05/891171805.db2.gz WSTYXMCMODEOKT-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)NCCS(C)(=O)=O ZINC001437239739 891171828 /nfs/dbraw/zinc/17/18/28/891171828.db2.gz AEKMKHUJEXCODY-MRVPVSSYSA-N 0 3 294.377 -1.816 20 0 CAADHN C[C@H](CNC(=O)Cc1cncn1C)N[C@@H]1CCNC1=O ZINC001437235864 891172019 /nfs/dbraw/zinc/17/20/19/891172019.db2.gz KNUVNBJSBCFJAR-MWLCHTKSSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@H](CNC(=O)Cn1ccccc1=O)N[C@H]1CCNC1=O ZINC001437241639 891172115 /nfs/dbraw/zinc/17/21/15/891172115.db2.gz CCBAMOFFIMDKPF-MNOVXSKESA-N 0 3 292.339 -1.169 20 0 CAADHN CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001437303818 891173220 /nfs/dbraw/zinc/17/32/20/891173220.db2.gz CLPDUFLCCZNFOM-SECBINFHSA-N 0 3 280.332 -1.008 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001437310379 891174038 /nfs/dbraw/zinc/17/40/38/891174038.db2.gz NJVGPSBJBSQMFP-BDAKNGLRSA-N 0 3 280.332 -1.009 20 0 CAADHN CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001437303823 891174206 /nfs/dbraw/zinc/17/42/06/891174206.db2.gz CLPDUFLCCZNFOM-VIFPVBQESA-N 0 3 280.332 -1.008 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001437310420 891174645 /nfs/dbraw/zinc/17/46/45/891174645.db2.gz NJVGPSBJBSQMFP-RKDXNWHRSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001437310416 891174658 /nfs/dbraw/zinc/17/46/58/891174658.db2.gz NJVGPSBJBSQMFP-IUCAKERBSA-N 0 3 280.332 -1.009 20 0 CAADHN C[C@H](CCNC(=O)c1nnc[nH]1)NCc1nnnn1C ZINC001437401306 891175806 /nfs/dbraw/zinc/17/58/06/891175806.db2.gz HJIRBAMPPAREHI-SSDOTTSWSA-N 0 3 279.308 -1.374 20 0 CAADHN COCC(=O)NCCN(C)C[C@@H](O)Cn1cccn1 ZINC001437429453 891176751 /nfs/dbraw/zinc/17/67/51/891176751.db2.gz HEHAMDOPEGLUDD-LLVKDONJSA-N 0 3 270.333 -1.062 20 0 CAADHN CNC(=O)NCC(=O)NCCN(C)CCc1cnn(C)c1 ZINC001437473473 891179431 /nfs/dbraw/zinc/17/94/31/891179431.db2.gz YGRZCNTYQCOXBR-UHFFFAOYSA-N 0 3 296.375 -1.060 20 0 CAADHN CN(CCNC(=O)[C@@H]1CNC(=O)N1)CCc1cnn(C)c1 ZINC001437509512 891180493 /nfs/dbraw/zinc/18/04/93/891180493.db2.gz MDUBNSZVRLRONL-NSHDSACASA-N 0 3 294.359 -1.308 20 0 CAADHN CN(CCCO)CCNC(=O)CCn1ncn(C)c1=O ZINC001437497180 891180539 /nfs/dbraw/zinc/18/05/39/891180539.db2.gz BAERVHCVIRZNNT-UHFFFAOYSA-N 0 3 285.348 -1.598 20 0 CAADHN CNS(=O)(=O)CCC(=O)NCCN(C)C[C@@H](C)O ZINC001437463262 891180679 /nfs/dbraw/zinc/18/06/79/891180679.db2.gz MXFLGBCWGSRSIE-SECBINFHSA-N 0 3 281.378 -1.646 20 0 CAADHN CN(CCNC(=O)[C@H]1CNC(=O)N1)CCc1cnn(C)c1 ZINC001437509503 891181179 /nfs/dbraw/zinc/18/11/79/891181179.db2.gz MDUBNSZVRLRONL-LLVKDONJSA-N 0 3 294.359 -1.308 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCCN(C)C[C@H](C)O ZINC001437520755 891183199 /nfs/dbraw/zinc/18/31/99/891183199.db2.gz OANCBIGECHJBBN-DTWKUNHWSA-N 0 3 281.378 -1.647 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001437520754 891183224 /nfs/dbraw/zinc/18/32/24/891183224.db2.gz OANCBIGECHJBBN-BDAKNGLRSA-N 0 3 281.378 -1.647 20 0 CAADHN COC[C@H](C)N(C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001437565817 891183287 /nfs/dbraw/zinc/18/32/87/891183287.db2.gz XQOKMSDBWXPMAD-UWVGGRQHSA-N 0 3 293.389 -1.239 20 0 CAADHN CCN(CCNC(=O)Cc1nnc[nH]1)[C@H](C)C(=O)NC ZINC001437647192 891187580 /nfs/dbraw/zinc/18/75/80/891187580.db2.gz SWIFAQZDMSEZIB-SECBINFHSA-N 0 3 282.348 -1.080 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H]1CCCN1CCO ZINC001437655984 891188476 /nfs/dbraw/zinc/18/84/76/891188476.db2.gz FYTVYDHFAGFOOQ-JTQLQIEISA-N 0 3 272.349 -1.122 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H]1CCCN1CCO ZINC001437655985 891189022 /nfs/dbraw/zinc/18/90/22/891189022.db2.gz FYTVYDHFAGFOOQ-SNVBAGLBSA-N 0 3 272.349 -1.122 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001437832132 891191195 /nfs/dbraw/zinc/19/11/95/891191195.db2.gz WEBCUZHALGZVEL-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001437822729 891191221 /nfs/dbraw/zinc/19/12/21/891191221.db2.gz JTHLHRVJDQHKMK-SCZZXKLOSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001437827492 891191318 /nfs/dbraw/zinc/19/13/18/891191318.db2.gz IEEGKWZUPMSDEG-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001437822730 891191547 /nfs/dbraw/zinc/19/15/47/891191547.db2.gz JTHLHRVJDQHKMK-WCBMZHEXSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001437829454 891191659 /nfs/dbraw/zinc/19/16/59/891191659.db2.gz IXWYFAVWNDMXRZ-QMMMGPOBSA-N 0 3 283.336 -1.652 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN1CCCC1=O)C(N)=O ZINC001437820224 891191673 /nfs/dbraw/zinc/19/16/73/891191673.db2.gz AKNWJLKGFNMULL-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CO[C@@H]1CCOC1 ZINC001437831873 891191945 /nfs/dbraw/zinc/19/19/45/891191945.db2.gz FPDOVUUSEGKAHG-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CNC(=O)N1)C(=O)NC1CC1 ZINC001437833110 891191961 /nfs/dbraw/zinc/19/19/61/891191961.db2.gz XPJWSLYEZAFVIL-SCZZXKLOSA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cn[nH]c1)C(=O)NC(N)=O ZINC001437828038 891192376 /nfs/dbraw/zinc/19/23/76/891192376.db2.gz KNPXSMDUUXGLSK-SSDOTTSWSA-N 0 3 282.304 -1.345 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)CNC(=O)C1CC1 ZINC001437826950 891192912 /nfs/dbraw/zinc/19/29/12/891192912.db2.gz DRBLBXZBTPYYFS-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)CNC(=O)C1CC1 ZINC001437826949 891193344 /nfs/dbraw/zinc/19/33/44/891193344.db2.gz DRBLBXZBTPYYFS-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CNC(=O)N1)C(=O)NC1CC1 ZINC001437833111 891193465 /nfs/dbraw/zinc/19/34/65/891193465.db2.gz XPJWSLYEZAFVIL-WCBMZHEXSA-N 0 3 297.359 -1.617 20 0 CAADHN Cn1cnn(CC(=O)NCCN(CCO)C2CC2)c1=O ZINC001437783574 891193559 /nfs/dbraw/zinc/19/35/59/891193559.db2.gz BUUXBJTXSAEUMO-UHFFFAOYSA-N 0 3 283.332 -1.845 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001437828610 891193571 /nfs/dbraw/zinc/19/35/71/891193571.db2.gz BKYOYPVTMMXEOT-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CCn1cnnn1 ZINC001437837116 891195406 /nfs/dbraw/zinc/19/54/06/891195406.db2.gz CGMDEWQJRXVQSO-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H](C)S(C)(=O)=O)C(N)=O ZINC001437836918 891195563 /nfs/dbraw/zinc/19/55/63/891195563.db2.gz AKDKRBLVPBMPCP-BDAKNGLRSA-N 0 3 293.389 -1.269 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)CCn1cnnn1 ZINC001437841378 891195641 /nfs/dbraw/zinc/19/56/41/891195641.db2.gz JMWLVRGFGVNFSM-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001437843569 891195849 /nfs/dbraw/zinc/19/58/49/891195849.db2.gz ZVGSTQAVVNOFDS-UWVGGRQHSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccn(C)n1)C(=O)NC(N)=O ZINC001437847890 891196142 /nfs/dbraw/zinc/19/61/42/891196142.db2.gz QDCSJBUHODHVSB-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001437837144 891196270 /nfs/dbraw/zinc/19/62/70/891196270.db2.gz CLCYOZIHOBQYOY-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN COC[C@@H](OC)C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001437833788 891196365 /nfs/dbraw/zinc/19/63/65/891196365.db2.gz DEMHLDNWNXPBBM-WDEREUQCSA-N 0 3 287.360 -1.074 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001437855779 891196395 /nfs/dbraw/zinc/19/63/95/891196395.db2.gz KHHAREZFRRLBRQ-BDAKNGLRSA-N 0 3 270.333 -1.553 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001437853168 891196476 /nfs/dbraw/zinc/19/64/76/891196476.db2.gz DGXSOHWPAPLOKR-ZJUUUORDSA-N 0 3 299.375 -1.159 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001437848476 891196585 /nfs/dbraw/zinc/19/65/85/891196585.db2.gz RASZUTSFUUBVHP-DTWKUNHWSA-N 0 3 293.389 -1.398 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001437860349 891196596 /nfs/dbraw/zinc/19/65/96/891196596.db2.gz RZPYLUFGSAJULH-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@]1(C)CCC(=O)N1)C(N)=O ZINC001437835401 891196607 /nfs/dbraw/zinc/19/66/07/891196607.db2.gz HZBLCJPKJMKEKD-ZANVPECISA-N 0 3 284.360 -1.033 20 0 CAADHN CC(C)c1nnnn1CC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001437848015 891196690 /nfs/dbraw/zinc/19/66/90/891196690.db2.gz VOHFZLUITMJATD-SECBINFHSA-N 0 3 297.363 -1.282 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H](C)S(C)(=O)=O)C(N)=O ZINC001437836922 891196903 /nfs/dbraw/zinc/19/69/03/891196903.db2.gz AKDKRBLVPBMPCP-RKDXNWHRSA-N 0 3 293.389 -1.269 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)CCCC(N)=O ZINC001437850815 891196956 /nfs/dbraw/zinc/19/69/56/891196956.db2.gz AJTSLCDBUMDFIG-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001437860347 891197517 /nfs/dbraw/zinc/19/75/17/891197517.db2.gz RZPYLUFGSAJULH-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001437848480 891197610 /nfs/dbraw/zinc/19/76/10/891197610.db2.gz RASZUTSFUUBVHP-IUCAKERBSA-N 0 3 293.389 -1.398 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CCn1cnnn1 ZINC001437836654 891197701 /nfs/dbraw/zinc/19/77/01/891197701.db2.gz CGMDEWQJRXVQSO-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCCCN1C(N)=O)C(N)=O ZINC001437835301 891197725 /nfs/dbraw/zinc/19/77/25/891197725.db2.gz DHJKVVSPGHSILM-ZJUUUORDSA-N 0 3 299.375 -1.159 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001438006248 891200833 /nfs/dbraw/zinc/20/08/33/891200833.db2.gz FZVVNWGARSKHFI-UTLUCORTSA-N 0 3 299.375 -1.242 20 0 CAADHN CC[C@H](SC)C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001438974835 891249569 /nfs/dbraw/zinc/24/95/69/891249569.db2.gz AXZCRUQZPJGNAJ-IUCAKERBSA-N 0 3 277.390 -1.059 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)CCn2ccnn2)C1 ZINC001438113025 891208913 /nfs/dbraw/zinc/20/89/13/891208913.db2.gz SLGPIGDMKZNGDQ-GFCCVEGCSA-N 0 3 297.359 -1.277 20 0 CAADHN CC[C@H](CNC(=O)C1CC1)NCC(=O)N1CCNC(=O)C1 ZINC001438275234 891209780 /nfs/dbraw/zinc/20/97/80/891209780.db2.gz BITFTCKKJRIRCD-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001438184549 891211603 /nfs/dbraw/zinc/21/16/03/891211603.db2.gz DJQCLKACWIEAFD-ZMLRMANQSA-N 0 3 287.360 -1.291 20 0 CAADHN CC[C@H](CNC(=O)COC)N[C@H](C)C(=O)NC(N)=O ZINC001438272058 891211846 /nfs/dbraw/zinc/21/18/46/891211846.db2.gz HHXMEIBUZHLJQQ-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN COCC(=O)N(C)CC(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001438231806 891212353 /nfs/dbraw/zinc/21/23/53/891212353.db2.gz UWZLSUHQJGNEGI-NSHDSACASA-N 0 3 287.360 -1.384 20 0 CAADHN CC[C@H](CNC(=O)COC)NCC(=O)N1CCOCC1 ZINC001438274211 891212563 /nfs/dbraw/zinc/21/25/63/891212563.db2.gz SMDRFQCWRBVTMV-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN COCC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001438231803 891213231 /nfs/dbraw/zinc/21/32/31/891213231.db2.gz UWZLSUHQJGNEGI-LLVKDONJSA-N 0 3 287.360 -1.384 20 0 CAADHN O=C(CCC(=O)N1CCOCC1)N[C@H]1CCN(CCO)C1 ZINC001438199920 891213874 /nfs/dbraw/zinc/21/38/74/891213874.db2.gz LJYREHXAWXNLOE-LBPRGKRZSA-N 0 3 299.371 -1.192 20 0 CAADHN CC[C@@H](CNC(=O)COC)N[C@@H](C)C(=O)NC(N)=O ZINC001438272061 891214641 /nfs/dbraw/zinc/21/46/41/891214641.db2.gz HHXMEIBUZHLJQQ-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(N)=O)NCC(=O)NC ZINC001438366340 891215493 /nfs/dbraw/zinc/21/54/93/891215493.db2.gz KPBKONLETCOFGL-QMMMGPOBSA-N 0 3 273.337 -1.725 20 0 CAADHN CC[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N[C@H](C)C(N)=O ZINC001438308890 891215900 /nfs/dbraw/zinc/21/59/00/891215900.db2.gz GGGIFPVIGNPJHK-BDAKNGLRSA-N 0 3 295.343 -1.248 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)NCC(=O)NC ZINC001438340179 891215958 /nfs/dbraw/zinc/21/59/58/891215958.db2.gz JSUIZURLTZXARI-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCC(=O)NC ZINC001438364894 891215989 /nfs/dbraw/zinc/21/59/89/891215989.db2.gz GUYXISCROUDVFU-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@@H](CNC(=O)C(C)(C)NC(C)=O)NCC(N)=O ZINC001438352202 891216055 /nfs/dbraw/zinc/21/60/55/891216055.db2.gz LRZMPWHCVXBWMU-VIFPVBQESA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)Cn1ncnn1)C1CC1 ZINC001438415702 891216330 /nfs/dbraw/zinc/21/63/30/891216330.db2.gz RRZOCIGESAQHSH-LLVKDONJSA-N 0 3 281.320 -1.967 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCCC1=O)NCC(N)=O ZINC001438288479 891216631 /nfs/dbraw/zinc/21/66/31/891216631.db2.gz VDZGSDOSYBJFOJ-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@H](CC(=O)N[C@](C)(CNCC(N)=O)C1CC1)NC(N)=O ZINC001438415285 891216704 /nfs/dbraw/zinc/21/67/04/891216704.db2.gz PMFKBBDOBWZFQI-AMIZOPFISA-N 0 3 299.375 -1.207 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001438421639 891216804 /nfs/dbraw/zinc/21/68/04/891216804.db2.gz VWFBINBOBBTWOC-QMTHXVAHSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CNCC1(NC(=O)[C@@H]2CNC(=O)N2)CCCC1 ZINC001438406468 891216865 /nfs/dbraw/zinc/21/68/65/891216865.db2.gz WWZGXANREFAFFN-VIFPVBQESA-N 0 3 297.359 -1.568 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001438459258 891216961 /nfs/dbraw/zinc/21/69/61/891216961.db2.gz WYQHBOWSNPHUCT-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCC(=O)NC ZINC001438364897 891217058 /nfs/dbraw/zinc/21/70/58/891217058.db2.gz GUYXISCROUDVFU-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)NCC(=O)NC1CC1 ZINC001438351931 891217121 /nfs/dbraw/zinc/21/71/21/891217121.db2.gz JZAYFAILIGXUFK-QMMMGPOBSA-N 0 3 295.347 -1.413 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)CC(N)=O)NCC(=O)NC ZINC001438329115 891217152 /nfs/dbraw/zinc/21/71/52/891217152.db2.gz RRVZMKMNYIYZAM-BDAKNGLRSA-N 0 3 272.349 -1.272 20 0 CAADHN CNC(=O)CNCC1(NC(=O)[C@H]2CNC(=O)N2)CCCC1 ZINC001438406467 891217203 /nfs/dbraw/zinc/21/72/03/891217203.db2.gz WWZGXANREFAFFN-SECBINFHSA-N 0 3 297.359 -1.568 20 0 CAADHN C[C@@H](CC(=O)N[C@@](C)(CNCC(N)=O)C1CC1)NC(N)=O ZINC001438415290 891217576 /nfs/dbraw/zinc/21/75/76/891217576.db2.gz PMFKBBDOBWZFQI-SDBXPKJASA-N 0 3 299.375 -1.207 20 0 CAADHN CC[C@@H](CNC(=O)c1ccc2nnnn2c1)NCC(N)=O ZINC001438322793 891217636 /nfs/dbraw/zinc/21/76/36/891217636.db2.gz AXKPPJXHDJUZQR-VIFPVBQESA-N 0 3 291.315 -1.292 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001438421640 891217904 /nfs/dbraw/zinc/21/79/04/891217904.db2.gz VWFBINBOBBTWOC-YGRLFVJLSA-N 0 3 296.371 -1.033 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001438454290 891217967 /nfs/dbraw/zinc/21/79/67/891217967.db2.gz UPDYQBWVKQMZQX-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)Cn1ncnn1)C1CC1 ZINC001438415703 891218724 /nfs/dbraw/zinc/21/87/24/891218724.db2.gz RRZOCIGESAQHSH-NSHDSACASA-N 0 3 281.320 -1.967 20 0 CAADHN CC[C@H](CNC(=O)c1ccncn1)NCC(=O)NC(N)=O ZINC001438353352 891219126 /nfs/dbraw/zinc/21/91/26/891219126.db2.gz SZLXNIWJPWOZLO-MRVPVSSYSA-N 0 3 294.315 -1.231 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)NCC(=O)NC ZINC001438340189 891219445 /nfs/dbraw/zinc/21/94/45/891219445.db2.gz JSUIZURLTZXARI-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN CC[C@@H](CNC(=O)C[C@@H]1CCC(=O)NC1)NCC(N)=O ZINC001438314473 891219518 /nfs/dbraw/zinc/21/95/18/891219518.db2.gz VYJYXZXPNXPDRX-UWVGGRQHSA-N 0 3 284.360 -1.128 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001438465319 891221837 /nfs/dbraw/zinc/22/18/37/891221837.db2.gz AENSFIIHHCGYPH-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CC[C@@H](C(=O)NC[C@H]1CN(CC(N)=O)CCO1)N(C)C ZINC001438574317 891223489 /nfs/dbraw/zinc/22/34/89/891223489.db2.gz GJRBGTVHFDOWGS-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CNC(=O)N2)CCCC1 ZINC001438608727 891223583 /nfs/dbraw/zinc/22/35/83/891223583.db2.gz YBWAKCXXEVAKOV-MRVPVSSYSA-N 0 3 283.332 -1.828 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CNC(=O)OC ZINC001438636117 891224290 /nfs/dbraw/zinc/22/42/90/891224290.db2.gz JUOPKZWCJFXTJH-BDAKNGLRSA-N 0 3 288.348 -1.087 20 0 CAADHN COCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001438617408 891224929 /nfs/dbraw/zinc/22/49/29/891224929.db2.gz AJVBSRNFOKBLDO-SFYZADRCSA-N 0 3 274.321 -1.347 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001438631282 891227234 /nfs/dbraw/zinc/22/72/34/891227234.db2.gz DEYKYYJXLMFDQK-DTWKUNHWSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(C)[C@@H](CNC(=O)CCS(C)(=O)=O)NCC(N)=O ZINC001438804973 891227970 /nfs/dbraw/zinc/22/79/70/891227970.db2.gz FVBFVNQNZBEATK-SECBINFHSA-N 0 3 293.389 -1.363 20 0 CAADHN CC[C@@H](NC[C@@H](C)N(C)C(=O)CNC(=O)NC)C(N)=O ZINC001438663859 891228078 /nfs/dbraw/zinc/22/80/78/891228078.db2.gz VMOSICOGBBHQDI-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001438671796 891228175 /nfs/dbraw/zinc/22/81/75/891228175.db2.gz XLKIHACUFNHUMQ-DTWKUNHWSA-N 0 3 298.347 -2.108 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1cnnn1C)C(C)C ZINC001438797182 891228404 /nfs/dbraw/zinc/22/84/04/891228404.db2.gz SDQBYCBRZAPSBM-VIFPVBQESA-N 0 3 282.348 -1.095 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](NCC(=O)NC)C(C)C ZINC001438790048 891228563 /nfs/dbraw/zinc/22/85/63/891228563.db2.gz LKFWRZHSYAYKHY-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C(C)C ZINC001438789522 891228621 /nfs/dbraw/zinc/22/86/21/891228621.db2.gz KBXKYPJKADIAPL-ZJUUUORDSA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C(C)C ZINC001438812597 891228683 /nfs/dbraw/zinc/22/86/83/891228683.db2.gz NLWHJBPBTVITBN-UWVGGRQHSA-N 0 3 286.376 -1.026 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001438676234 891228847 /nfs/dbraw/zinc/22/88/47/891228847.db2.gz MFENLBFQRWMJKX-VIFPVBQESA-N 0 3 297.363 -1.262 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)c1cn[nH]c1 ZINC001438637347 891228919 /nfs/dbraw/zinc/22/89/19/891228919.db2.gz LMZLMSJWBSJFAF-MRVPVSSYSA-N 0 3 296.331 -1.085 20 0 CAADHN Cc1cc(C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O)[nH]n1 ZINC001438645297 891229003 /nfs/dbraw/zinc/22/90/03/891229003.db2.gz YSLYVXSXCMCIJW-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN CC[C@H](NC[C@@H](C)N(C)C(=O)CNC(=O)NC)C(N)=O ZINC001438663844 891229086 /nfs/dbraw/zinc/22/90/86/891229086.db2.gz VMOSICOGBBHQDI-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN COCC(=O)N(C)CC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001438654207 891229334 /nfs/dbraw/zinc/22/93/34/891229334.db2.gz SJVZRUDJGVWWBO-SECBINFHSA-N 0 3 288.348 -1.987 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001438676232 891229369 /nfs/dbraw/zinc/22/93/69/891229369.db2.gz MFENLBFQRWMJKX-SECBINFHSA-N 0 3 297.363 -1.262 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)c1cn[nH]c1 ZINC001438637359 891229705 /nfs/dbraw/zinc/22/97/05/891229705.db2.gz LMZLMSJWBSJFAF-QMMMGPOBSA-N 0 3 296.331 -1.085 20 0 CAADHN Cc1nc(CNC[C@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)n[nH]1 ZINC001438677762 891229753 /nfs/dbraw/zinc/22/97/53/891229753.db2.gz WYQYJPSKEQSZKJ-CBAPKCEASA-N 0 3 295.347 -1.269 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ncc[nH]1 ZINC001438646463 891229882 /nfs/dbraw/zinc/22/98/82/891229882.db2.gz FAINOBSHKXBLHG-SSDOTTSWSA-N 0 3 282.304 -1.345 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCNC(N)=O ZINC001438728604 891230106 /nfs/dbraw/zinc/23/01/06/891230106.db2.gz ZPYMFKRBSCTCPN-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)Cn1ncn(C)c1=O ZINC001438671785 891230257 /nfs/dbraw/zinc/23/02/57/891230257.db2.gz XLKIHACUFNHUMQ-BDAKNGLRSA-N 0 3 298.347 -2.108 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](NCC(N)=O)C(C)C ZINC001438799571 891230292 /nfs/dbraw/zinc/23/02/92/891230292.db2.gz MDOMKNXRJYDTGF-MRVPVSSYSA-N 0 3 273.337 -1.869 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CCNC(N)=O ZINC001438713949 891230315 /nfs/dbraw/zinc/23/03/15/891230315.db2.gz BENUCHNMHQWGFN-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CCNC(N)=O ZINC001438713945 891230442 /nfs/dbraw/zinc/23/04/42/891230442.db2.gz BENUCHNMHQWGFN-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc[n-]n2)C[C@@H]1C ZINC001438771871 891230510 /nfs/dbraw/zinc/23/05/10/891230510.db2.gz MACJBZUVLLMGDC-DTWKUNHWSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001438692274 891230558 /nfs/dbraw/zinc/23/05/58/891230558.db2.gz NDHOHRGFTXHGFV-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)[C@H](C)CN[C@@H](C)C(N)=O ZINC001438715156 891231154 /nfs/dbraw/zinc/23/11/54/891231154.db2.gz PPTUWWYNSSJYMU-BDAKNGLRSA-N 0 3 293.389 -1.269 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)C1CN(C(C)=O)C1 ZINC001438642002 891231122 /nfs/dbraw/zinc/23/11/22/891231122.db2.gz OBVCMJAAQAFWMQ-SECBINFHSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCNC(N)=O ZINC001438728601 891231214 /nfs/dbraw/zinc/23/12/14/891231214.db2.gz ZPYMFKRBSCTCPN-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1cn(C)nn1 ZINC001438655218 891231580 /nfs/dbraw/zinc/23/15/80/891231580.db2.gz UUZMPANWRIJJHV-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ncc[nH]1 ZINC001438646464 891232099 /nfs/dbraw/zinc/23/20/99/891232099.db2.gz FAINOBSHKXBLHG-ZETCQYMHSA-N 0 3 282.304 -1.345 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)[C@@H](C)CN[C@@H](C)C(N)=O ZINC001438715158 891232145 /nfs/dbraw/zinc/23/21/45/891232145.db2.gz PPTUWWYNSSJYMU-IUCAKERBSA-N 0 3 293.389 -1.269 20 0 CAADHN C[C@H](NC[C@H](C)N(C)C(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001438671798 891232174 /nfs/dbraw/zinc/23/21/74/891232174.db2.gz XLKIHACUFNHUMQ-IUCAKERBSA-N 0 3 298.347 -2.108 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001438855244 891233421 /nfs/dbraw/zinc/23/34/21/891233421.db2.gz JABABGDXXURQNE-NWDGAFQWSA-N 0 3 290.360 -1.201 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H](C)CC(N)=O)NCC(N)=O ZINC001438815783 891234079 /nfs/dbraw/zinc/23/40/79/891234079.db2.gz GNRMZHDDLSEMJZ-IUCAKERBSA-N 0 3 272.349 -1.286 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1COCCO1 ZINC001438855248 891236936 /nfs/dbraw/zinc/23/69/36/891236936.db2.gz JABABGDXXURQNE-VXGBXAGGSA-N 0 3 290.360 -1.201 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cccnc1 ZINC001438957181 891238868 /nfs/dbraw/zinc/23/88/68/891238868.db2.gz OCOTWNSTKYMGRC-QWRGUYRKSA-N 0 3 278.312 -1.350 20 0 CAADHN COCCC(=O)NC[C@@H](O)CN[C@H]1CCCN(C)C1=O ZINC001438955775 891239251 /nfs/dbraw/zinc/23/92/51/891239251.db2.gz DIVIWWLITDUXKG-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C(C)(F)F)C(=O)NC(N)=O ZINC001438954716 891239706 /nfs/dbraw/zinc/23/97/06/891239706.db2.gz JXPLNWRRPXMAEN-WDSKDSINSA-N 0 3 296.274 -1.708 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001438932018 891240422 /nfs/dbraw/zinc/24/04/22/891240422.db2.gz VLNNIBQUJMCDSW-SNVBAGLBSA-N 0 3 295.405 -1.351 20 0 CAADHN CCOCC(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C ZINC001438952952 891240770 /nfs/dbraw/zinc/24/07/70/891240770.db2.gz GIPSHXFCZLPNEU-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cc(C)no1)C(N)=O ZINC001438953653 891241607 /nfs/dbraw/zinc/24/16/07/891241607.db2.gz BTGLJIUJKXCWOH-IUCAKERBSA-N 0 3 284.316 -1.073 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCc1ccnn1C ZINC001438952500 891241755 /nfs/dbraw/zinc/24/17/55/891241755.db2.gz GURCNODEKVNDGT-LLVKDONJSA-N 0 3 283.332 -1.877 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)no1 ZINC001438956467 891242069 /nfs/dbraw/zinc/24/20/69/891242069.db2.gz FUDWHJUCSNMJJR-RKDXNWHRSA-N 0 3 282.300 -1.448 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)CCn1cnnn1 ZINC001438928863 891242301 /nfs/dbraw/zinc/24/23/01/891242301.db2.gz MKIIUSDYWBZWKJ-JTQLQIEISA-N 0 3 270.337 -1.166 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCO1)C1CC1 ZINC001438957106 891242373 /nfs/dbraw/zinc/24/23/73/891242373.db2.gz OAWULMLLFFKCSS-VXGBXAGGSA-N 0 3 299.371 -1.147 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1CC1)C(=O)NC(N)=O ZINC001438956667 891242686 /nfs/dbraw/zinc/24/26/86/891242686.db2.gz GIJZVIJLSSEXCW-XPUUQOCRSA-N 0 3 272.305 -1.954 20 0 CAADHN CCOCC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001438957068 891242977 /nfs/dbraw/zinc/24/29/77/891242977.db2.gz NTRVAGSYKIINID-SNVBAGLBSA-N 0 3 273.333 -1.678 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CNCC(N)=O)s1 ZINC001438964232 891244200 /nfs/dbraw/zinc/24/42/00/891244200.db2.gz DLNDWIBXSOJDRR-SSDOTTSWSA-N 0 3 272.330 -1.383 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001438966008 891244449 /nfs/dbraw/zinc/24/44/49/891244449.db2.gz GFCILKHSNFAAGH-SNVBAGLBSA-N 0 3 283.332 -1.996 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1ccc[nH]1 ZINC001438958233 891244527 /nfs/dbraw/zinc/24/45/27/891244527.db2.gz JVXFIXJMZWLIOV-ONGXEEELSA-N 0 3 280.328 -1.026 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CC1CC1)C(=O)NC(N)=O ZINC001438961493 891244717 /nfs/dbraw/zinc/24/47/17/891244717.db2.gz OXJGVFFLTZCLFQ-APPZFPTMSA-N 0 3 286.332 -1.563 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001438965238 891244976 /nfs/dbraw/zinc/24/49/76/891244976.db2.gz GCGWENQGIRGJLD-DTWKUNHWSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnn(C)c1)C(=O)N(C)C ZINC001438958172 891245346 /nfs/dbraw/zinc/24/53/46/891245346.db2.gz JVOZBTJRULZZCY-MWLCHTKSSA-N 0 3 297.359 -1.423 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c1)C1CC1 ZINC001438966353 891245585 /nfs/dbraw/zinc/24/55/85/891245585.db2.gz BYDPGEUXOIENQI-LLVKDONJSA-N 0 3 295.343 -1.289 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)F ZINC001438960034 891245951 /nfs/dbraw/zinc/24/59/51/891245951.db2.gz LBPFYTWIUBXKRT-SSDOTTSWSA-N 0 3 292.311 -1.743 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C(C)(C)F ZINC001438960165 891246700 /nfs/dbraw/zinc/24/67/00/891246700.db2.gz LBPFYTWIUBXKRT-ZETCQYMHSA-N 0 3 292.311 -1.743 20 0 CAADHN CCC(=O)NC[C@@H](O)CNCC(=O)NC(=O)NC1CC1 ZINC001438958260 891246455 /nfs/dbraw/zinc/24/64/55/891246455.db2.gz GTTVJHMNBMGNTO-VIFPVBQESA-N 0 3 286.332 -1.549 20 0 CAADHN Cn1cccc1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001438967217 891247090 /nfs/dbraw/zinc/24/70/90/891247090.db2.gz GEAACKDDJMYVRS-LLVKDONJSA-N 0 3 294.355 -1.016 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccccn1 ZINC001438958716 891247660 /nfs/dbraw/zinc/24/76/60/891247660.db2.gz RUPRQZWMQKGSQY-SNVBAGLBSA-N 0 3 280.328 -1.150 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)c1 ZINC001438977663 891248234 /nfs/dbraw/zinc/24/82/34/891248234.db2.gz HRWDKIYKXMUAGH-VXGBXAGGSA-N 0 3 294.355 -1.064 20 0 CAADHN Cc1ccn(C)c1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001438975941 891248302 /nfs/dbraw/zinc/24/83/02/891248302.db2.gz BNMPUBKTCPAFRC-VHSXEESVSA-N 0 3 282.344 -1.112 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001438978427 891248562 /nfs/dbraw/zinc/24/85/62/891248562.db2.gz DIWVVARDGLAHEH-QMMMGPOBSA-N 0 3 284.320 -2.369 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnnn1CC ZINC001438978253 891249017 /nfs/dbraw/zinc/24/90/17/891249017.db2.gz DDDWBOYTWWMLIS-SECBINFHSA-N 0 3 298.347 -1.886 20 0 CAADHN Cc1ccncc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001438973674 891249536 /nfs/dbraw/zinc/24/95/36/891249536.db2.gz UXXLNEJZPANLOE-NXEZZACHSA-N 0 3 280.328 -1.056 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cccn1C)C(N)=O ZINC001438976006 891249292 /nfs/dbraw/zinc/24/92/92/891249292.db2.gz WQFIJPGJUTVLBH-NXEZZACHSA-N 0 3 282.344 -1.031 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CNC(=O)OC ZINC001438974087 891249428 /nfs/dbraw/zinc/24/94/28/891249428.db2.gz WDMRCQICXRJHED-JGVFFNPUSA-N 0 3 290.320 -2.456 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cccn1C)C(N)=O ZINC001438976022 891249746 /nfs/dbraw/zinc/24/97/46/891249746.db2.gz WQFIJPGJUTVLBH-UWVGGRQHSA-N 0 3 282.344 -1.031 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCC(=O)N1CCCC1 ZINC001438972699 891249799 /nfs/dbraw/zinc/24/97/99/891249799.db2.gz ZEPPIXRBSGLKIJ-JTQLQIEISA-N 0 3 273.333 -1.678 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CNC(=O)OC ZINC001438974069 891249825 /nfs/dbraw/zinc/24/98/25/891249825.db2.gz WDMRCQICXRJHED-HTQZYQBOSA-N 0 3 290.320 -2.456 20 0 CAADHN COCC(=O)NC[C@H](O)CNCC(=O)N1CCCC1 ZINC001438972704 891249930 /nfs/dbraw/zinc/24/99/30/891249930.db2.gz ZEPPIXRBSGLKIJ-SNVBAGLBSA-N 0 3 273.333 -1.678 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001438977725 891249957 /nfs/dbraw/zinc/24/99/57/891249957.db2.gz HXLZJNXXQHSKJQ-IONNQARKSA-N 0 3 282.300 -1.659 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)n1cccn1 ZINC001438974180 891250296 /nfs/dbraw/zinc/25/02/96/891250296.db2.gz LVWDKDLNGKGNQI-UWVGGRQHSA-N 0 3 283.332 -1.743 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001438974013 891250476 /nfs/dbraw/zinc/25/04/76/891250476.db2.gz WARGSLVGCOCBPZ-VHSXEESVSA-N 0 3 273.333 -1.822 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)c1 ZINC001438977659 891250896 /nfs/dbraw/zinc/25/08/96/891250896.db2.gz HRWDKIYKXMUAGH-RYUDHWBXSA-N 0 3 294.355 -1.064 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnsn1 ZINC001438971838 891251065 /nfs/dbraw/zinc/25/10/65/891251065.db2.gz HYCOVLNSIMSPST-RQJHMYQMSA-N 0 3 287.345 -1.647 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)c1 ZINC001438977627 891251352 /nfs/dbraw/zinc/25/13/52/891251352.db2.gz HRWDKIYKXMUAGH-NEPJUHHUSA-N 0 3 294.355 -1.064 20 0 CAADHN Cc1cccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001438970803 891251542 /nfs/dbraw/zinc/25/15/42/891251542.db2.gz LSHFIPVHGCUVIE-ZJUUUORDSA-N 0 3 280.328 -1.056 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1cc[nH]n1)C(=O)N(C)C ZINC001438972610 891251756 /nfs/dbraw/zinc/25/17/56/891251756.db2.gz QRGXQXRUHFWBSD-KOLCDFICSA-N 0 3 297.359 -1.504 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnns1)C(N)=O ZINC001438972814 891251854 /nfs/dbraw/zinc/25/18/54/891251854.db2.gz RPHRJCGJAHDQRS-RQJHMYQMSA-N 0 3 287.345 -1.518 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CCn1cncn1 ZINC001438975638 891251887 /nfs/dbraw/zinc/25/18/87/891251887.db2.gz VZVGTLPVQKLPMU-NXEZZACHSA-N 0 3 298.347 -2.131 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCCOC1)NC1CC1 ZINC001438984871 891253286 /nfs/dbraw/zinc/25/32/86/891253286.db2.gz PIVVJZHFGRLGKU-ZYHUDNBSSA-N 0 3 299.371 -1.242 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cncnc1 ZINC001438983914 891254314 /nfs/dbraw/zinc/25/43/14/891254314.db2.gz NORXMVOKERMKSO-LLVKDONJSA-N 0 3 295.343 -1.317 20 0 CAADHN Cc1ccn(C)c1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001438982153 891254346 /nfs/dbraw/zinc/25/43/46/891254346.db2.gz QPTUXWCQHBEFOY-MNOVXSKESA-N 0 3 294.355 -1.098 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CC(C)(C)O ZINC001438981559 891254473 /nfs/dbraw/zinc/25/44/73/891254473.db2.gz PATRRISJAJHROP-RKDXNWHRSA-N 0 3 275.349 -1.651 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1coc(C)n1 ZINC001438986647 891254504 /nfs/dbraw/zinc/25/45/04/891254504.db2.gz VKDDHZDPXRRRNA-APPZFPTMSA-N 0 3 284.316 -1.202 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001438980051 891254629 /nfs/dbraw/zinc/25/46/29/891254629.db2.gz XWYHIEGUNYHUSK-VIFPVBQESA-N 0 3 283.332 -1.384 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001438983520 891255336 /nfs/dbraw/zinc/25/53/36/891255336.db2.gz SXRQOJJHBIVAIQ-BDAKNGLRSA-N 0 3 283.332 -1.765 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001438982370 891255446 /nfs/dbraw/zinc/25/54/46/891255446.db2.gz LEPPLTNANQDRKD-YUMQZZPRSA-N 0 3 288.304 -2.750 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CC(C)(C)O ZINC001438981547 891255680 /nfs/dbraw/zinc/25/56/80/891255680.db2.gz PATRRISJAJHROP-DTWKUNHWSA-N 0 3 275.349 -1.651 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001438983530 891255876 /nfs/dbraw/zinc/25/58/76/891255876.db2.gz SXRQOJJHBIVAIQ-IUCAKERBSA-N 0 3 283.332 -1.765 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cncc(F)c1 ZINC001438985796 891255920 /nfs/dbraw/zinc/25/59/20/891255920.db2.gz YMUOWFYUWQQNDJ-VIFPVBQESA-N 0 3 270.264 -1.614 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CCn1ccnn1 ZINC001438979833 891256862 /nfs/dbraw/zinc/25/68/62/891256862.db2.gz KMICFNNFTLAFID-NXEZZACHSA-N 0 3 298.347 -2.131 20 0 CAADHN Cc1ccn(C)c1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001438982158 891257090 /nfs/dbraw/zinc/25/70/90/891257090.db2.gz QPTUXWCQHBEFOY-QWRGUYRKSA-N 0 3 294.355 -1.098 20 0 CAADHN CCc1c[nH]c(CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001438989660 891257796 /nfs/dbraw/zinc/25/77/96/891257796.db2.gz CCVHSUIWAITQFS-WPRPVWTQSA-N 0 3 297.359 -1.545 20 0 CAADHN CN1CCCC[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001438997952 891257849 /nfs/dbraw/zinc/25/78/49/891257849.db2.gz IJQVWIYBPGQZNY-UWVGGRQHSA-N 0 3 272.349 -1.977 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cnc(C)o1 ZINC001439003056 891258101 /nfs/dbraw/zinc/25/81/01/891258101.db2.gz LJMJCAGBMPSJLL-SECBINFHSA-N 0 3 284.316 -1.662 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001438992043 891258407 /nfs/dbraw/zinc/25/84/07/891258407.db2.gz HNENFVGZVQADCK-GXSJLCMTSA-N 0 3 297.359 -1.457 20 0 CAADHN CN1CCCC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001438997961 891258735 /nfs/dbraw/zinc/25/87/35/891258735.db2.gz IJQVWIYBPGQZNY-ZJUUUORDSA-N 0 3 272.349 -1.977 20 0 CAADHN CN1CCC[C@H](NC[C@H](O)CNC(=O)c2ncc[nH]2)C1=O ZINC001438989651 891258989 /nfs/dbraw/zinc/25/89/89/891258989.db2.gz BFCUFIVLNFEYAJ-UWVGGRQHSA-N 0 3 295.343 -1.289 20 0 CAADHN CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001438995827 891259085 /nfs/dbraw/zinc/25/90/85/891259085.db2.gz VCXRNCLSFLSSHP-YWVKMMECSA-N 0 3 273.333 -1.647 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1ccncn1)C(N)=O ZINC001438991578 891259911 /nfs/dbraw/zinc/25/99/11/891259911.db2.gz QAWCCAXFYFYAEV-GXSJLCMTSA-N 0 3 295.343 -1.650 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001438996658 891259974 /nfs/dbraw/zinc/25/99/74/891259974.db2.gz GJWLAOCGXQKLBQ-QMMMGPOBSA-N 0 3 297.315 -2.049 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001438996651 891260842 /nfs/dbraw/zinc/26/08/42/891260842.db2.gz GJWLAOCGXQKLBQ-MRVPVSSYSA-N 0 3 297.315 -2.049 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccncc1C ZINC001438998806 891261671 /nfs/dbraw/zinc/26/16/71/891261671.db2.gz RXVQUFJBBCDRMQ-SNVBAGLBSA-N 0 3 280.328 -1.184 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001438995149 891261908 /nfs/dbraw/zinc/26/19/08/891261908.db2.gz ZDKOXSNBUPTPFF-VIFPVBQESA-N 0 3 297.319 -3.028 20 0 CAADHN Cn1nncc1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001438988221 891261961 /nfs/dbraw/zinc/26/19/61/891261961.db2.gz YQNDYZLPEYRHCD-SECBINFHSA-N 0 3 296.331 -2.226 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc2n(n1)CCCC2 ZINC001438993635 891262255 /nfs/dbraw/zinc/26/22/55/891262255.db2.gz BJAMHSYWYOBHAU-SNVBAGLBSA-N 0 3 295.343 -1.615 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1cnoc1 ZINC001439019228 891263065 /nfs/dbraw/zinc/26/30/65/891263065.db2.gz DSYIPCATGCIIST-LLVKDONJSA-N 0 3 298.343 -1.238 20 0 CAADHN Cc1cnc(C(=O)NC[C@@H](O)CNCC(N)=O)c(C)c1 ZINC001439013512 891263123 /nfs/dbraw/zinc/26/31/23/891263123.db2.gz LLINGCRTRKUTJH-JTQLQIEISA-N 0 3 280.328 -1.136 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cnco1 ZINC001439013975 891263376 /nfs/dbraw/zinc/26/33/76/891263376.db2.gz IAYRGFWOFWWLKQ-VIFPVBQESA-N 0 3 284.316 -1.119 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001439009731 891263508 /nfs/dbraw/zinc/26/35/08/891263508.db2.gz FSGDNKBLLSLGCV-SFYZADRCSA-N 0 3 299.331 -2.060 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)C[NH2+]C[C@@H](C)O ZINC001439016223 891263774 /nfs/dbraw/zinc/26/37/74/891263774.db2.gz AVDJOSCVPYRYNB-VXNVDRBHSA-N 0 3 284.316 -1.448 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cn(C)nc1C ZINC001439008491 891264007 /nfs/dbraw/zinc/26/40/07/891264007.db2.gz YDUICYKBEZJAHZ-NSHDSACASA-N 0 3 297.359 -1.916 20 0 CAADHN O=C(CCc1ccon1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001439014517 891264036 /nfs/dbraw/zinc/26/40/36/891264036.db2.gz WKQVISGFVWUPNI-WDEREUQCSA-N 0 3 296.327 -1.438 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cnco1 ZINC001439013971 891264434 /nfs/dbraw/zinc/26/44/34/891264434.db2.gz IAYRGFWOFWWLKQ-SECBINFHSA-N 0 3 284.316 -1.119 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001439009724 891264625 /nfs/dbraw/zinc/26/46/25/891264625.db2.gz FSGDNKBLLSLGCV-HTQZYQBOSA-N 0 3 299.331 -2.060 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1c(C)cnn1C)C(N)=O ZINC001439009796 891264793 /nfs/dbraw/zinc/26/47/93/891264793.db2.gz GFHHKUMVEUXPNU-VHSXEESVSA-N 0 3 297.359 -1.327 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)C[NH2+]C[C@H](C)O ZINC001439016218 891264835 /nfs/dbraw/zinc/26/48/35/891264835.db2.gz AVDJOSCVPYRYNB-CBAPKCEASA-N 0 3 284.316 -1.448 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1cncs1 ZINC001439015837 891265148 /nfs/dbraw/zinc/26/51/48/891265148.db2.gz DGEKUAWXYNIRKI-MRVPVSSYSA-N 0 3 286.357 -1.372 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cn2cccnc2n1 ZINC001439004714 891265378 /nfs/dbraw/zinc/26/53/78/891265378.db2.gz VIJCMNSJWGLJSO-MRVPVSSYSA-N 0 3 292.299 -2.105 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnco1)NCC1CC1 ZINC001439010615 891265532 /nfs/dbraw/zinc/26/55/32/891265532.db2.gz DLSOMAUQLHKAPB-SNVBAGLBSA-N 0 3 296.327 -1.119 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001439016213 891265647 /nfs/dbraw/zinc/26/56/47/891265647.db2.gz AVDJOSCVPYRYNB-APPZFPTMSA-N 0 3 284.316 -1.448 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnc2nccn2c1 ZINC001439007708 891266028 /nfs/dbraw/zinc/26/60/28/891266028.db2.gz LFOYFIUGFKVPAL-VIFPVBQESA-N 0 3 292.299 -2.105 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001439016451 891266053 /nfs/dbraw/zinc/26/60/53/891266053.db2.gz PNKAWVONTWVASP-KCJUWKMLSA-N 0 3 277.296 -2.072 20 0 CAADHN CC[C@@H](F)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001439011290 891266096 /nfs/dbraw/zinc/26/60/96/891266096.db2.gz JHHIATUWABSSBU-NKWVEPMBSA-N 0 3 278.284 -2.004 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001439016433 891266397 /nfs/dbraw/zinc/26/63/97/891266397.db2.gz PNKAWVONTWVASP-GZMMTYOYSA-N 0 3 277.296 -2.072 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)c2nnn(C)n2)cn1 ZINC001439017371 891266231 /nfs/dbraw/zinc/26/62/31/891266231.db2.gz UWGPMRLENXDNLH-VIFPVBQESA-N 0 3 294.319 -2.176 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1conc1C ZINC001439022751 891267637 /nfs/dbraw/zinc/26/76/37/891267637.db2.gz FUPAPCXIKKYSQX-RKDXNWHRSA-N 0 3 284.316 -1.202 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)CC1 ZINC001439016041 891266614 /nfs/dbraw/zinc/26/66/14/891266614.db2.gz ZFGZWGLOEYSHCH-GHMZBOCLSA-N 0 3 299.371 -1.242 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1cncnc1 ZINC001439007132 891266880 /nfs/dbraw/zinc/26/68/80/891266880.db2.gz IGFRNEKFUMLNBJ-NSHDSACASA-N 0 3 295.343 -1.778 20 0 CAADHN CCCc1cc(C(=O)NC[C@@H](O)CNCC(=O)NC)[nH]n1 ZINC001439016841 891266921 /nfs/dbraw/zinc/26/69/21/891266921.db2.gz LJSKLNAGVYHPKF-JTQLQIEISA-N 0 3 297.359 -1.212 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C ZINC001439011234 891266960 /nfs/dbraw/zinc/26/69/60/891266960.db2.gz JAIQHDXYUHAGLV-IWSPIJDZSA-N 0 3 286.332 -1.835 20 0 CAADHN CCCc1cc(C(=O)NC[C@H](O)CNCC(=O)NC)[nH]n1 ZINC001439016844 891267125 /nfs/dbraw/zinc/26/71/25/891267125.db2.gz LJSKLNAGVYHPKF-SNVBAGLBSA-N 0 3 297.359 -1.212 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)CC1 ZINC001439016047 891267192 /nfs/dbraw/zinc/26/71/92/891267192.db2.gz ZFGZWGLOEYSHCH-WDEREUQCSA-N 0 3 299.371 -1.242 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001439027898 891267476 /nfs/dbraw/zinc/26/74/76/891267476.db2.gz CGBAFSGAQRRYDA-HTQZYQBOSA-N 0 3 284.316 -1.952 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cc(C2CC2)n[nH]1)C(N)=O ZINC001439030944 891267539 /nfs/dbraw/zinc/26/75/39/891267539.db2.gz JMQBWUBRVVNDOV-VXNVDRBHSA-N 0 3 295.343 -1.159 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)nn1 ZINC001439029126 891267572 /nfs/dbraw/zinc/26/75/72/891267572.db2.gz BWZSTEZJMVIIOJ-DTWKUNHWSA-N 0 3 296.331 -2.133 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001439027914 891267769 /nfs/dbraw/zinc/26/77/69/891267769.db2.gz CGBAFSGAQRRYDA-YUMQZZPRSA-N 0 3 284.316 -1.952 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnco1)C(N)=O ZINC001439023778 891267860 /nfs/dbraw/zinc/26/78/60/891267860.db2.gz XFTCWECPSHAIJR-YUMQZZPRSA-N 0 3 270.289 -1.381 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](OC)C(C)C ZINC001439024399 891268284 /nfs/dbraw/zinc/26/82/84/891268284.db2.gz IBHSIURLMBSXCL-GXSJLCMTSA-N 0 3 275.349 -1.530 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)C(F)(F)F ZINC001439019902 891268486 /nfs/dbraw/zinc/26/84/86/891268486.db2.gz YAZGDYASTWZYBS-RNFRBKRXSA-N 0 3 285.266 -1.003 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1conc1C ZINC001439022746 891268757 /nfs/dbraw/zinc/26/87/57/891268757.db2.gz FUPAPCXIKKYSQX-BDAKNGLRSA-N 0 3 284.316 -1.202 20 0 CAADHN CCn1nc(C)cc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001439028787 891269119 /nfs/dbraw/zinc/26/91/19/891269119.db2.gz FIQAOXUVYIQDRD-ZJUUUORDSA-N 0 3 297.359 -1.234 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1cnoc1)C(N)=O ZINC001439027820 891269768 /nfs/dbraw/zinc/26/97/68/891269768.db2.gz YHKBAPHJUGVAIE-VXNVDRBHSA-N 0 3 270.289 -1.842 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnco1 ZINC001439024169 891269517 /nfs/dbraw/zinc/26/95/17/891269517.db2.gz ZABGBDQTYKKSQB-YUMQZZPRSA-N 0 3 270.289 -1.511 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001439025840 891270060 /nfs/dbraw/zinc/27/00/60/891270060.db2.gz LSYHFUFCURQYDN-JGVFFNPUSA-N 0 3 270.289 -1.463 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CNCC(N)=O)CCC1 ZINC001439021896 891270093 /nfs/dbraw/zinc/27/00/93/891270093.db2.gz ZHDXJYWNAZJBJW-SECBINFHSA-N 0 3 273.333 -1.645 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)cn1 ZINC001439028527 891270215 /nfs/dbraw/zinc/27/02/15/891270215.db2.gz ZTYDFZAVFSPDOE-NDBYEHHHSA-N 0 3 294.355 -1.121 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cncc(C)c1 ZINC001439023158 891270444 /nfs/dbraw/zinc/27/04/44/891270444.db2.gz WSFGJQVYCDGFEN-LBPRGKRZSA-N 0 3 294.355 -1.255 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1cnoc1)C(N)=O ZINC001439027817 891270969 /nfs/dbraw/zinc/27/09/69/891270969.db2.gz YHKBAPHJUGVAIE-IONNQARKSA-N 0 3 270.289 -1.842 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001439025829 891271021 /nfs/dbraw/zinc/27/10/21/891271021.db2.gz LSYHFUFCURQYDN-HTQZYQBOSA-N 0 3 270.289 -1.463 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1cnoc1)C(N)=O ZINC001439027801 891271653 /nfs/dbraw/zinc/27/16/53/891271653.db2.gz YHKBAPHJUGVAIE-APPZFPTMSA-N 0 3 270.289 -1.842 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001439031560 891272122 /nfs/dbraw/zinc/27/21/22/891272122.db2.gz LCNRTOOTHMYVAY-IUCAKERBSA-N 0 3 286.332 -2.532 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1[nH]cnc1CC ZINC001439040569 891272221 /nfs/dbraw/zinc/27/22/21/891272221.db2.gz CHTPJACIDKYCPU-VIFPVBQESA-N 0 3 297.359 -1.212 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@H](C)C(=O)NC)nn1 ZINC001439031721 891272254 /nfs/dbraw/zinc/27/22/54/891272254.db2.gz IMJVDRPGDMSIEH-RKDXNWHRSA-N 0 3 298.347 -1.887 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)CCOCC1 ZINC001439032493 891272347 /nfs/dbraw/zinc/27/23/47/891272347.db2.gz MQJLERVOHMCGIK-WDEREUQCSA-N 0 3 299.371 -1.242 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1cscn1 ZINC001439041282 891272567 /nfs/dbraw/zinc/27/25/67/891272567.db2.gz ZFHUXXKLBLFRJN-QMMMGPOBSA-N 0 3 272.330 -1.762 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1nc(C)oc1C ZINC001439031707 891272781 /nfs/dbraw/zinc/27/27/81/891272781.db2.gz IMIIASIQDBPXPO-VIFPVBQESA-N 0 3 284.316 -1.282 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccc2nncn2c1 ZINC001439037476 891272891 /nfs/dbraw/zinc/27/28/91/891272891.db2.gz ZFFBRDVFEURANT-VIFPVBQESA-N 0 3 292.299 -2.105 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001439045814 891273286 /nfs/dbraw/zinc/27/32/86/891273286.db2.gz OTOSCYQFYVYQMN-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001439039932 891273484 /nfs/dbraw/zinc/27/34/84/891273484.db2.gz CDDNDAOVHXZGLV-BDAKNGLRSA-N 0 3 283.332 -1.765 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CNCC(N)=O)cnn1C(C)C ZINC001439036615 891273696 /nfs/dbraw/zinc/27/36/96/891273696.db2.gz FVXPJJWEYVAILQ-SNVBAGLBSA-N 0 3 297.359 -1.062 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cn1ccccc1=O ZINC001439045411 891273843 /nfs/dbraw/zinc/27/38/43/891273843.db2.gz NLVUIUKWVSJLBH-VIFPVBQESA-N 0 3 282.300 -2.600 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ncccc1F ZINC001439033257 891274184 /nfs/dbraw/zinc/27/41/84/891274184.db2.gz LPNXQBWEWIIFSN-VIFPVBQESA-N 0 3 298.318 -1.011 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)no1 ZINC001439043127 891274533 /nfs/dbraw/zinc/27/45/33/891274533.db2.gz CRAQECCLLJJXDV-PSASIEDQSA-N 0 3 296.327 -1.194 20 0 CAADHN CCn1ncnc1CNC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001439046454 891275151 /nfs/dbraw/zinc/27/51/51/891275151.db2.gz WYSZLKQUMYAEJK-QMMMGPOBSA-N 0 3 294.319 -1.703 20 0 CAADHN CCn1ncnc1CNC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001439046454 891275161 /nfs/dbraw/zinc/27/51/61/891275161.db2.gz WYSZLKQUMYAEJK-QMMMGPOBSA-N 0 3 294.319 -1.703 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)no1 ZINC001439043277 891275193 /nfs/dbraw/zinc/27/51/93/891275193.db2.gz CRAQECCLLJJXDV-SCZZXKLOSA-N 0 3 296.327 -1.194 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cn1 ZINC001439045991 891275519 /nfs/dbraw/zinc/27/55/19/891275519.db2.gz JJRCFKPMHKWKLV-QWRGUYRKSA-N 0 3 295.343 -1.735 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)c1OC ZINC001439042678 891275608 /nfs/dbraw/zinc/27/56/08/891275608.db2.gz IHHZDRUMIVVFPS-MRVPVSSYSA-N 0 3 299.331 -2.145 20 0 CAADHN C[C@]1(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)CCOC1 ZINC001439034515 891275824 /nfs/dbraw/zinc/27/58/24/891275824.db2.gz NLQUVLDURUSSJI-RISCZKNCSA-N 0 3 299.371 -1.288 20 0 CAADHN CN1CCC[C@H](NC[C@@H](O)CNC(=O)c2cnon2)C1=O ZINC001439037661 891276116 /nfs/dbraw/zinc/27/61/16/891276116.db2.gz GAUXTQHMLKPPSD-BDAKNGLRSA-N 0 3 297.315 -1.629 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)CCOC1 ZINC001439034519 891276298 /nfs/dbraw/zinc/27/62/98/891276298.db2.gz NLQUVLDURUSSJI-SMDDNHRTSA-N 0 3 299.371 -1.288 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)no1 ZINC001439043289 891276403 /nfs/dbraw/zinc/27/64/03/891276403.db2.gz CRAQECCLLJJXDV-WPRPVWTQSA-N 0 3 296.327 -1.194 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCCOC1 ZINC001439055009 891277068 /nfs/dbraw/zinc/27/70/68/891277068.db2.gz KZZZHUUBAHCEFN-ZJUUUORDSA-N 0 3 273.333 -1.645 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001439050220 891277179 /nfs/dbraw/zinc/27/71/79/891277179.db2.gz GSVMNDIUZYNGLV-UWVGGRQHSA-N 0 3 295.343 -1.371 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001439059646 891277413 /nfs/dbraw/zinc/27/74/13/891277413.db2.gz ZCVSZJYVRRMZSJ-VXNVDRBHSA-N 0 3 282.300 -1.659 20 0 CAADHN C[C@@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)Cc1nnc[n-]1 ZINC001439077748 891277667 /nfs/dbraw/zinc/27/76/67/891277667.db2.gz YUPBNEVLDJDKHV-IUCAKERBSA-N 0 3 280.332 -1.280 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cncs1)[C@@H]1CCC(=O)N1 ZINC001439049108 891277891 /nfs/dbraw/zinc/27/78/91/891277891.db2.gz RHBAKKUTCOWNIK-WPRPVWTQSA-N 0 3 298.368 -1.012 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccnc(C)n1 ZINC001439063106 891278156 /nfs/dbraw/zinc/27/81/56/891278156.db2.gz USONKKBOVGADCO-SCZZXKLOSA-N 0 3 295.343 -1.400 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001439056980 891278370 /nfs/dbraw/zinc/27/83/70/891278370.db2.gz PJZOMMSLHWSRBT-IUCAKERBSA-N 0 3 296.331 -2.608 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC(N)=O)C(=O)COC ZINC001439078085 891278520 /nfs/dbraw/zinc/27/85/20/891278520.db2.gz UNQDUXCNTBKQTA-QMMMGPOBSA-N 0 3 274.321 -1.346 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001439049133 891278679 /nfs/dbraw/zinc/27/86/79/891278679.db2.gz ZDRSNVGQLPLXLL-MRVPVSSYSA-N 0 3 283.332 -1.602 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](O)CNCc1cnon1 ZINC001439065006 891279212 /nfs/dbraw/zinc/27/92/12/891279212.db2.gz YZJOAKXNADKDDF-LLVKDONJSA-N 0 3 285.348 -1.024 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cccn(C)c1=O)C(N)=O ZINC001439048250 891279244 /nfs/dbraw/zinc/27/92/44/891279244.db2.gz OQFFBDQZGALRPE-IUCAKERBSA-N 0 3 296.327 -2.061 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1cncn1C ZINC001439049128 891279297 /nfs/dbraw/zinc/27/92/97/891279297.db2.gz RLKFVYRPBMDCTA-ONGXEEELSA-N 0 3 297.359 -1.836 20 0 CAADHN CCc1ncc(C(=O)NC[C@H](O)CNCC(N)=O)s1 ZINC001439067970 891279329 /nfs/dbraw/zinc/27/93/29/891279329.db2.gz YXEQZBDXAVRGDO-SSDOTTSWSA-N 0 3 286.357 -1.129 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cn1ccnc1C ZINC001439061854 891279495 /nfs/dbraw/zinc/27/94/95/891279495.db2.gz SLTBIQNXSQKWCB-ONGXEEELSA-N 0 3 297.359 -1.607 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccnc(C)n1 ZINC001439063114 891279982 /nfs/dbraw/zinc/27/99/82/891279982.db2.gz USONKKBOVGADCO-WPRPVWTQSA-N 0 3 295.343 -1.400 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1ccccc1F ZINC001439048443 891280587 /nfs/dbraw/zinc/28/05/87/891280587.db2.gz DNWHMXFMKHLSRL-SNVBAGLBSA-N 0 3 283.303 -1.080 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@H](O)CNCC(N)=O)s1 ZINC001439056566 891280654 /nfs/dbraw/zinc/28/06/54/891280654.db2.gz UMFFGBZIAIUSDK-MRVPVSSYSA-N 0 3 286.357 -1.074 20 0 CAADHN Cc1cnn(CCC(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001439060161 891280689 /nfs/dbraw/zinc/28/06/89/891280689.db2.gz UKOBKNNAYGHJHN-JTQLQIEISA-N 0 3 283.332 -1.866 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001439056986 891280836 /nfs/dbraw/zinc/28/08/36/891280836.db2.gz PJZOMMSLHWSRBT-RKDXNWHRSA-N 0 3 296.331 -2.608 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001439070045 891281180 /nfs/dbraw/zinc/28/11/80/891281180.db2.gz JCTZXWBDLLCKRG-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN Cc1ccc(OCC(=O)NC[C@@H](O)CNCC(N)=O)cc1 ZINC001439053244 891281209 /nfs/dbraw/zinc/28/12/09/891281209.db2.gz OIHPMRSPKJCNEJ-NSHDSACASA-N 0 3 295.339 -1.074 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCCOC1 ZINC001439055005 891281402 /nfs/dbraw/zinc/28/14/02/891281402.db2.gz KZZZHUUBAHCEFN-VHSXEESVSA-N 0 3 273.333 -1.645 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CN1CCCNC1=O ZINC001439122290 891281931 /nfs/dbraw/zinc/28/19/31/891281931.db2.gz AGHAGCCVGYGFPV-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1nccnc1N ZINC001439096455 891282088 /nfs/dbraw/zinc/28/20/88/891282088.db2.gz BGERIALQFBJELU-SFYZADRCSA-N 0 3 278.316 -1.345 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H](O)C(C)C ZINC001439098987 891282112 /nfs/dbraw/zinc/28/21/12/891282112.db2.gz DTPZHNKOWVRJKH-PSASIEDQSA-N 0 3 288.348 -1.447 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cccn2nnnc12 ZINC001439113335 891282171 /nfs/dbraw/zinc/28/21/71/891282171.db2.gz VXIFJIAPXFRENQ-SSDOTTSWSA-N 0 3 277.288 -1.683 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCCO1 ZINC001439089238 891282508 /nfs/dbraw/zinc/28/25/08/891282508.db2.gz ZTLQMSVFCTZQPM-RKDXNWHRSA-N 0 3 283.332 -1.118 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1cncn1C ZINC001439122963 891282616 /nfs/dbraw/zinc/28/26/16/891282616.db2.gz HJLHSOPIDWDUGE-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)Cn1cncn1)C(N)=O ZINC001439085312 891282724 /nfs/dbraw/zinc/28/27/24/891282724.db2.gz QKCOKCYHBVEOBV-JTQLQIEISA-N 0 3 282.348 -1.020 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001439118740 891282867 /nfs/dbraw/zinc/28/28/67/891282867.db2.gz IKKHFQYMGWIJKM-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001439081511 891283184 /nfs/dbraw/zinc/28/31/84/891283184.db2.gz TYNCKNWLKBRNLA-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CCCC(N)=O ZINC001439082419 891283515 /nfs/dbraw/zinc/28/35/15/891283515.db2.gz KBTXSDUJHLKNSP-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN C[C@H](CNCc1cnnn1C)NC(=O)[C@H]1CN(C)CCO1 ZINC001439103361 891283842 /nfs/dbraw/zinc/28/38/42/891283842.db2.gz RFTCVJNUJJURQB-ZYHUDNBSSA-N 0 3 296.375 -1.260 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)COCC ZINC001439094276 891283933 /nfs/dbraw/zinc/28/39/33/891283933.db2.gz DRIAECRMOZVKJB-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001439100339 891284094 /nfs/dbraw/zinc/28/40/94/891284094.db2.gz HZJGJOOBYBURNE-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001439082071 891284268 /nfs/dbraw/zinc/28/42/68/891284268.db2.gz WCNYMQKSYMXZTM-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CNC(=O)OC ZINC001439093706 891284619 /nfs/dbraw/zinc/28/46/19/891284619.db2.gz QFYAFXCYOWFNBS-SFYZADRCSA-N 0 3 274.321 -1.429 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CNC(=O)OC ZINC001439093705 891284853 /nfs/dbraw/zinc/28/48/53/891284853.db2.gz QFYAFXCYOWFNBS-HTQZYQBOSA-N 0 3 274.321 -1.429 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001439081518 891284909 /nfs/dbraw/zinc/28/49/09/891284909.db2.gz TYNCKNWLKBRNLA-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001439082079 891285027 /nfs/dbraw/zinc/28/50/27/891285027.db2.gz WCNYMQKSYMXZTM-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001439136374 891285214 /nfs/dbraw/zinc/28/52/14/891285214.db2.gz PPAKNVIGIOIGDV-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001439125792 891285257 /nfs/dbraw/zinc/28/52/57/891285257.db2.gz RVCIVTTWHIUQCY-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CNC(=O)CC ZINC001439100426 891285325 /nfs/dbraw/zinc/28/53/25/891285325.db2.gz MXXYPZVNYYDGJJ-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)c1ncn(C)n1 ZINC001439101484 891285590 /nfs/dbraw/zinc/28/55/90/891285590.db2.gz KWAFMEUIUCXHFR-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cc2n(n1)CCO2 ZINC001439121654 891285752 /nfs/dbraw/zinc/28/57/52/891285752.db2.gz KLTZIYMQYMMAIG-MRVPVSSYSA-N 0 3 281.316 -1.271 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)c1cnn(C)c1N ZINC001439109967 891285783 /nfs/dbraw/zinc/28/57/83/891285783.db2.gz STDXANDHEKDYGJ-SECBINFHSA-N 0 3 294.359 -1.058 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001439121161 891285997 /nfs/dbraw/zinc/28/59/97/891285997.db2.gz GOXKVJSPGURWAO-RKDXNWHRSA-N 0 3 293.327 -1.623 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001439094749 891286038 /nfs/dbraw/zinc/28/60/38/891286038.db2.gz YXVKFSYPKKBCCL-MRVPVSSYSA-N 0 3 296.331 -1.118 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001439185578 891286675 /nfs/dbraw/zinc/28/66/75/891286675.db2.gz VTBBORGQSGVYBN-SECBINFHSA-N 0 3 297.359 -1.432 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)c1nnn(C)n1 ZINC001439140839 891287210 /nfs/dbraw/zinc/28/72/10/891287210.db2.gz SLDVIVWDGBZSFI-SFYZADRCSA-N 0 3 295.347 -1.415 20 0 CAADHN CC(C)c1nnnn1CC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001439158244 891287280 /nfs/dbraw/zinc/28/72/80/891287280.db2.gz FBBOIHZZPKVFMJ-RKDXNWHRSA-N 0 3 297.363 -1.235 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CNC(=O)CC ZINC001439196150 891287578 /nfs/dbraw/zinc/28/75/78/891287578.db2.gz MXXYPZVNYYDGJJ-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001439193090 891287685 /nfs/dbraw/zinc/28/76/85/891287685.db2.gz FRFIHQGIKKHANO-AEJSXWLSSA-N 0 3 282.344 -1.410 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001439181926 891287963 /nfs/dbraw/zinc/28/79/63/891287963.db2.gz IPKQQFICQFHIHL-HTQZYQBOSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@H](CNCc1cnn(C)c1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001439148879 891287729 /nfs/dbraw/zinc/28/77/29/891287729.db2.gz UTOOIZLJEVVNJU-SCZZXKLOSA-N 0 3 280.332 -1.304 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001439178477 891287755 /nfs/dbraw/zinc/28/77/55/891287755.db2.gz BBYJXCIAMRBAFH-SSDOTTSWSA-N 0 3 281.316 -1.433 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001439179996 891287810 /nfs/dbraw/zinc/28/78/10/891287810.db2.gz UGRDKEHCDKVONZ-MRVPVSSYSA-N 0 3 295.343 -1.042 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1nccnc1N ZINC001439193538 891287892 /nfs/dbraw/zinc/28/78/92/891287892.db2.gz CYDKNQRCJRZYIL-QMMMGPOBSA-N 0 3 280.332 -1.145 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)Cc1ccc[nH]1 ZINC001439181110 891288107 /nfs/dbraw/zinc/28/81/07/891288107.db2.gz NCCQKDIXBGRHIZ-MRVPVSSYSA-N 0 3 281.316 -1.154 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001439155050 891288467 /nfs/dbraw/zinc/28/84/67/891288467.db2.gz SCUMYEOWPSNQQB-HLTSFMKQSA-N 0 3 270.333 -1.710 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001439168473 891288500 /nfs/dbraw/zinc/28/85/00/891288500.db2.gz TYAYTTIYBZWQOX-SCZZXKLOSA-N 0 3 282.344 -1.362 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cn1cccn1)C(=O)NC(N)=O ZINC001439186818 891288884 /nfs/dbraw/zinc/28/88/84/891288884.db2.gz HAHVFNXVUWHXCX-DTWKUNHWSA-N 0 3 296.331 -1.439 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001439152227 891289038 /nfs/dbraw/zinc/28/90/38/891289038.db2.gz AGIHROFHYYMBFK-RNFRBKRXSA-N 0 3 280.350 -2.496 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCCNC1=O ZINC001439191846 891289315 /nfs/dbraw/zinc/28/93/15/891289315.db2.gz FPQPXEZHDBAXPE-DTWKUNHWSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(=O)[nH]n1 ZINC001439186972 891289374 /nfs/dbraw/zinc/28/93/74/891289374.db2.gz FTVGJFMRGKZTRX-YUMQZZPRSA-N 0 3 279.300 -1.221 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)[C@H]2CNC(=O)N2)n[nH]1 ZINC001439148172 891289436 /nfs/dbraw/zinc/28/94/36/891289436.db2.gz TWBVAFMBXQKKQQ-HTRCEHHLSA-N 0 3 281.320 -1.611 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)Cn1cnnn1 ZINC001439189877 891289685 /nfs/dbraw/zinc/28/96/85/891289685.db2.gz VFTYMAUUOIZNMM-IUCAKERBSA-N 0 3 281.320 -1.954 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N[C@H](C)CNCC(=O)NC ZINC001439156354 891289786 /nfs/dbraw/zinc/28/97/86/891289786.db2.gz LGZHDRVZLPUPOO-SCZZXKLOSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)Cn1cnnn1 ZINC001439189873 891289820 /nfs/dbraw/zinc/28/98/20/891289820.db2.gz VFTYMAUUOIZNMM-DTWKUNHWSA-N 0 3 281.320 -1.954 20 0 CAADHN COCCC(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001439187832 891290013 /nfs/dbraw/zinc/29/00/13/891290013.db2.gz WRIPIXXDYJTFNV-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)C(C)(C)S(C)(=O)=O ZINC001439158297 891290103 /nfs/dbraw/zinc/29/01/03/891290103.db2.gz GIAGVQANERTJJY-HTQZYQBOSA-N 0 3 293.389 -1.222 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001439139670 891290527 /nfs/dbraw/zinc/29/05/27/891290527.db2.gz QWGFISNFWIMKLZ-ZJUUUORDSA-N 0 3 299.375 -2.224 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1cccn1 ZINC001439186820 891290775 /nfs/dbraw/zinc/29/07/75/891290775.db2.gz HAHVFNXVUWHXCX-IUCAKERBSA-N 0 3 296.331 -1.439 20 0 CAADHN C[C@@H](CNCc1cnn(C)c1)NC(=O)c1nnn(C)n1 ZINC001439237982 891291169 /nfs/dbraw/zinc/29/11/69/891291169.db2.gz ZWSNDAOQKRHJAD-QMMMGPOBSA-N 0 3 278.320 -1.148 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001439239656 891291260 /nfs/dbraw/zinc/29/12/60/891291260.db2.gz QWGFISNFWIMKLZ-VHSXEESVSA-N 0 3 299.375 -2.224 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)c1cnnn1C ZINC001439207402 891291810 /nfs/dbraw/zinc/29/18/10/891291810.db2.gz BXGUAJJFOZXBPS-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001439255793 891291964 /nfs/dbraw/zinc/29/19/64/891291964.db2.gz WALIXVQPRQFCBQ-IUCAKERBSA-N 0 3 295.347 -1.795 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1ncn(C)n1 ZINC001439209291 891292088 /nfs/dbraw/zinc/29/20/88/891292088.db2.gz KWAFMEUIUCXHFR-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN(C)C(=O)C1CC1 ZINC001439211834 891292123 /nfs/dbraw/zinc/29/21/23/891292123.db2.gz DBYQZTNQYMKEEQ-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN Cc1nnc(CC(=O)N[C@@H](C)CN[C@@H]2CCNC2=O)o1 ZINC001439209579 891292262 /nfs/dbraw/zinc/29/22/62/891292262.db2.gz QKAWZKVVDNTNPB-IONNQARKSA-N 0 3 281.316 -1.097 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCCN(C)C1=O ZINC001439212159 891292287 /nfs/dbraw/zinc/29/22/87/891292287.db2.gz FCPYEZWWTQPPFG-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN Cc1cc(OCC(=O)N[C@@H](C)CNCC(N)=O)no1 ZINC001439222478 891293124 /nfs/dbraw/zinc/29/31/24/891293124.db2.gz GWGCIORFRADISO-ZETCQYMHSA-N 0 3 270.289 -1.059 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001439215606 891293195 /nfs/dbraw/zinc/29/31/95/891293195.db2.gz QVPOKSIMYKDFHO-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)c1nnn(C)n1 ZINC001439234095 891293321 /nfs/dbraw/zinc/29/33/21/891293321.db2.gz BIXLDESWLUSXTL-QMMMGPOBSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1cnn(C)c1N ZINC001439209907 891293439 /nfs/dbraw/zinc/29/34/39/891293439.db2.gz OVFBVVMEWCFLJB-QMMMGPOBSA-N 0 3 282.348 -1.202 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001439215604 891293568 /nfs/dbraw/zinc/29/35/68/891293568.db2.gz QVPOKSIMYKDFHO-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001439253086 891293687 /nfs/dbraw/zinc/29/36/87/891293687.db2.gz LTQGDRKTKGEHEO-AEJSXWLSSA-N 0 3 282.344 -1.566 20 0 CAADHN Cc1cnn(CC(=O)N[C@@H](C)CNCC(=O)NC(N)=O)c1 ZINC001439197994 891294186 /nfs/dbraw/zinc/29/41/86/891294186.db2.gz DTZHVQZERUZRQX-VIFPVBQESA-N 0 3 296.331 -1.519 20 0 CAADHN Cc1cc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)cnn1 ZINC001439207650 891294402 /nfs/dbraw/zinc/29/44/02/891294402.db2.gz KLPPHNXXWZGIGP-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccn(C)c(=O)c1 ZINC001439224232 891294435 /nfs/dbraw/zinc/29/44/35/891294435.db2.gz UWNJPCRSFJRKRK-GXSJLCMTSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001439224526 891294491 /nfs/dbraw/zinc/29/44/91/891294491.db2.gz WDQHBLMTJKDBIO-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001439224152 891295182 /nfs/dbraw/zinc/29/51/82/891295182.db2.gz OQLJJHVWGITFMA-VIFPVBQESA-N 0 3 295.343 -1.376 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CNCC(N)=O ZINC001439214920 891295387 /nfs/dbraw/zinc/29/53/87/891295387.db2.gz PAZXMJCLISOIHF-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cn2c(n1)COCC2 ZINC001439221751 891295704 /nfs/dbraw/zinc/29/57/04/891295704.db2.gz OEHRUMQISCUAIP-IUCAKERBSA-N 0 3 295.343 -1.005 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCS1(=O)=O ZINC001439297431 891296468 /nfs/dbraw/zinc/29/64/68/891296468.db2.gz SYTANCZOLGRRHJ-DTWKUNHWSA-N 0 3 291.373 -1.596 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001439315860 891296831 /nfs/dbraw/zinc/29/68/31/891296831.db2.gz JAAAUHHPGOUQJZ-GUBZILKMSA-N 0 3 290.364 -1.513 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CCn1cnnn1 ZINC001439267660 891296956 /nfs/dbraw/zinc/29/69/56/891296956.db2.gz XQKKOOYXSISTRQ-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)Cc1nc(C2CC2)nn1C ZINC001439291809 891297124 /nfs/dbraw/zinc/29/71/24/891297124.db2.gz GXZAPQRQRWRKKF-QMMMGPOBSA-N 0 3 294.359 -1.185 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001439275644 891297799 /nfs/dbraw/zinc/29/77/99/891297799.db2.gz NCDHEOIFCPITNI-UWVGGRQHSA-N 0 3 284.360 -1.116 20 0 CAADHN COc1ncnc(OC)c1C(=O)N[C@@H](C)CNCC(N)=O ZINC001439283585 891299300 /nfs/dbraw/zinc/29/93/00/891299300.db2.gz AMKRPHRJDAJYII-ZETCQYMHSA-N 0 3 297.315 -1.313 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC001439293681 891299485 /nfs/dbraw/zinc/29/94/85/891299485.db2.gz KUDSIAKPPAZQPP-IUCAKERBSA-N 0 3 296.327 -1.023 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@]1(C)CCOC1 ZINC001439264848 891300441 /nfs/dbraw/zinc/30/04/41/891300441.db2.gz SUFHBYPXGXMYGW-QPUJVOFHSA-N 0 3 286.332 -1.298 20 0 CAADHN COCC(=O)N[C@H](C[NH2+]Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC001439442591 891301242 /nfs/dbraw/zinc/30/12/42/891301242.db2.gz KGUSQICBTIFKFR-SECBINFHSA-N 0 3 283.332 -1.261 20 0 CAADHN C[C@H](CN(C)[C@H]1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439385275 891301903 /nfs/dbraw/zinc/30/19/03/891301903.db2.gz BZISOPJLEDFEEI-BDAKNGLRSA-N 0 3 280.332 -1.328 20 0 CAADHN C[C@@H](CN(C)[C@@H]1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439385428 891302035 /nfs/dbraw/zinc/30/20/35/891302035.db2.gz BZISOPJLEDFEEI-DTWKUNHWSA-N 0 3 280.332 -1.328 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001439370246 891303797 /nfs/dbraw/zinc/30/37/97/891303797.db2.gz ZMFDNBBFGKJBGN-BDAKNGLRSA-N 0 3 286.336 -1.733 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CN1CCCC1=O)C1CC1 ZINC001439442146 891304287 /nfs/dbraw/zinc/30/42/87/891304287.db2.gz TVHXTCJOQLQENG-JTQLQIEISA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@H](CN(C)[C@@H]1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439385439 891304825 /nfs/dbraw/zinc/30/48/25/891304825.db2.gz BZISOPJLEDFEEI-RKDXNWHRSA-N 0 3 280.332 -1.328 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001439472869 891306162 /nfs/dbraw/zinc/30/61/62/891306162.db2.gz ROCMXNKDASTUHD-SECBINFHSA-N 0 3 295.347 -1.604 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)CNC(=O)C1CC1)C1CC1)C(N)=O ZINC001439449181 891306664 /nfs/dbraw/zinc/30/66/64/891306664.db2.gz NBJZRTQDZGTACI-GZMMTYOYSA-N 0 3 296.371 -1.129 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)CNC(=O)C1CC1)C1CC1)C(N)=O ZINC001439449183 891306924 /nfs/dbraw/zinc/30/69/24/891306924.db2.gz NBJZRTQDZGTACI-KCJUWKMLSA-N 0 3 296.371 -1.129 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)NC1=O ZINC001439468343 891307190 /nfs/dbraw/zinc/30/71/90/891307190.db2.gz CFSPGOMEWXMVEZ-IUCAKERBSA-N 0 3 283.332 -2.020 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001439446122 891307231 /nfs/dbraw/zinc/30/72/31/891307231.db2.gz YKAIMNPZSLRMFK-ZJUUUORDSA-N 0 3 298.343 -1.298 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](NC(=O)Cn1cncn1)C1CC1 ZINC001439504459 891307382 /nfs/dbraw/zinc/30/73/82/891307382.db2.gz VIUNQULOHQRWOR-GXSJLCMTSA-N 0 3 294.359 -1.103 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](NC(=O)[C@H]1CCOC1)C1CC1 ZINC001439446119 891308063 /nfs/dbraw/zinc/30/80/63/891308063.db2.gz YKAIMNPZSLRMFK-UWVGGRQHSA-N 0 3 298.343 -1.298 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)NC1=O ZINC001439468256 891308124 /nfs/dbraw/zinc/30/81/24/891308124.db2.gz CFSPGOMEWXMVEZ-BDAKNGLRSA-N 0 3 283.332 -2.020 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](NC(=O)[C@H]1CCOC1)C1CC1 ZINC001439446120 891309103 /nfs/dbraw/zinc/30/91/03/891309103.db2.gz YKAIMNPZSLRMFK-VHSXEESVSA-N 0 3 298.343 -1.298 20 0 CAADHN NC(=O)NCCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001439498543 891309156 /nfs/dbraw/zinc/30/91/56/891309156.db2.gz JWLXLMISQFXMKP-NXEZZACHSA-N 0 3 297.359 -1.582 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](NC(=O)Cn1cncn1)C1CC1 ZINC001439504464 891309560 /nfs/dbraw/zinc/30/95/60/891309560.db2.gz VIUNQULOHQRWOR-KOLCDFICSA-N 0 3 294.359 -1.103 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)NC1=O ZINC001439468342 891309786 /nfs/dbraw/zinc/30/97/86/891309786.db2.gz CFSPGOMEWXMVEZ-DTWKUNHWSA-N 0 3 283.332 -2.020 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001439445910 891309840 /nfs/dbraw/zinc/30/98/40/891309840.db2.gz CRQDVBOSWCRGHD-RYUDHWBXSA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](NC(=O)[C@@H]1CCOC1)C1CC1 ZINC001439446117 891310195 /nfs/dbraw/zinc/31/01/95/891310195.db2.gz YKAIMNPZSLRMFK-NXEZZACHSA-N 0 3 298.343 -1.298 20 0 CAADHN C[C@H](NC[C@H](NC(=O)CNC(=O)C1CC1)C1CC1)C(N)=O ZINC001439449185 891310538 /nfs/dbraw/zinc/31/05/38/891310538.db2.gz NBJZRTQDZGTACI-KWQFWETISA-N 0 3 296.371 -1.129 20 0 CAADHN CC[C@@H](NC1(CNC(=O)CN(C)C(C)=O)CC1)C(N)=O ZINC001439596983 891310912 /nfs/dbraw/zinc/31/09/12/891310912.db2.gz TWLPZMNEJHXVIC-SNVBAGLBSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](C(=O)NC[C@H]1CCN1CC(=O)NC(N)=O)N(C)C ZINC001439572520 891312929 /nfs/dbraw/zinc/31/29/29/891312929.db2.gz MOHITXFEZBEYJO-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@H](NC1(CNC(=O)c2cnnn2C)CC1)C(N)=O ZINC001439600862 891314848 /nfs/dbraw/zinc/31/48/48/891314848.db2.gz LAQPBPHMUYTQGN-QMMMGPOBSA-N 0 3 280.332 -1.069 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H]1CCN1CC(=O)NC(N)=O)N(C)C ZINC001439572523 891315745 /nfs/dbraw/zinc/31/57/45/891315745.db2.gz MOHITXFEZBEYJO-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@@H](NC1(CNC(=O)CN2CCOCC2)CC1)C(N)=O ZINC001439603873 891315856 /nfs/dbraw/zinc/31/58/56/891315856.db2.gz IRNNYGUQXLDWKZ-LLVKDONJSA-N 0 3 298.387 -1.179 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001439767229 891321012 /nfs/dbraw/zinc/32/10/12/891321012.db2.gz MXEDFJWSMWFSHU-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001439764387 891321892 /nfs/dbraw/zinc/32/18/92/891321892.db2.gz INIPZHMHTYOVEI-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)c1nnn(C)n1)C(N)=O ZINC001439785144 891322715 /nfs/dbraw/zinc/32/27/15/891322715.db2.gz HRELIRUYVMVDLA-SFYZADRCSA-N 0 3 281.320 -1.722 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CO[C@@H]1CCOC1 ZINC001439762586 891323453 /nfs/dbraw/zinc/32/34/53/891323453.db2.gz CJUYAHVBIGVKLY-WDEREUQCSA-N 0 3 285.344 -1.142 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H]1CN[C@H]1CCN(C)C1=O ZINC001439761697 891323417 /nfs/dbraw/zinc/32/34/17/891323417.db2.gz GRUOVDAGXYKZAC-NEPJUHHUSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CC(=O)N1CCC[C@@H]1CNCC(N)=O)C(=O)C1CC1 ZINC001439768666 891323611 /nfs/dbraw/zinc/32/36/11/891323611.db2.gz GNANTBKIADBRGS-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)c1cn[nH]c1 ZINC001439771527 891323661 /nfs/dbraw/zinc/32/36/61/891323661.db2.gz YFVCHCIMZNIULI-VIFPVBQESA-N 0 3 294.315 -1.201 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001439786669 891323774 /nfs/dbraw/zinc/32/37/74/891323774.db2.gz WCCCVXHRWSRBAP-AXFHLTTASA-N 0 3 296.371 -1.223 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001439767223 891323887 /nfs/dbraw/zinc/32/38/87/891323887.db2.gz MXEDFJWSMWFSHU-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN Cn1c(C(=O)N2CCC[C@H]2CNCC(N)=O)c[nH]c1=O ZINC001439788837 891324167 /nfs/dbraw/zinc/32/41/67/891324167.db2.gz WBRGETWDRGXWLI-QMMMGPOBSA-N 0 3 281.316 -1.195 20 0 CAADHN NC(=O)C[NH2+]C1(CNC(=O)Cc2nnc[n-]2)CCOCC1 ZINC001439970000 891328736 /nfs/dbraw/zinc/32/87/36/891328736.db2.gz LVYXXVHTHWBLHL-UHFFFAOYSA-N 0 3 296.331 -1.913 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001439986533 891332641 /nfs/dbraw/zinc/33/26/41/891332641.db2.gz SXEWIIVMTGWFHQ-YPMHNXCESA-N 0 3 288.344 -1.399 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cn[nH]c(=O)c1 ZINC001439990032 891333253 /nfs/dbraw/zinc/33/32/53/891333253.db2.gz FUNFKSWNHLQXHA-GFCCVEGCSA-N 0 3 282.300 -1.659 20 0 CAADHN O=C(CO[C@H]1CCOC1)NC[C@]1(O)CCN(CCO)C1 ZINC001439994124 891333678 /nfs/dbraw/zinc/33/36/78/891333678.db2.gz TZJMDQGTRLKDKV-WCQYABFASA-N 0 3 288.344 -1.663 20 0 CAADHN Cc1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)n(C)n1 ZINC001439985660 891333838 /nfs/dbraw/zinc/33/38/38/891333838.db2.gz RVUUBWGNCJQKQF-CYBMUJFWSA-N 0 3 282.344 -1.113 20 0 CAADHN C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001439984856 891336383 /nfs/dbraw/zinc/33/63/83/891336383.db2.gz VWOFKGGHVIILLE-ZWNOBZJWSA-N 0 3 297.359 -1.329 20 0 CAADHN C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001439984856 891336399 /nfs/dbraw/zinc/33/63/99/891336399.db2.gz VWOFKGGHVIILLE-ZWNOBZJWSA-N 0 3 297.359 -1.329 20 0 CAADHN O=C(CO[C@@H]1CCOC1)NC[C@@]1(O)CCN(CCO)C1 ZINC001439994125 891336538 /nfs/dbraw/zinc/33/65/38/891336538.db2.gz TZJMDQGTRLKDKV-YPMHNXCESA-N 0 3 288.344 -1.663 20 0 CAADHN COc1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)on1 ZINC001439986768 891338772 /nfs/dbraw/zinc/33/87/72/891338772.db2.gz WYADUSASLFFOFA-GFCCVEGCSA-N 0 3 285.300 -1.158 20 0 CAADHN O=C(CCc1ncccn1)NC[C@@]1(O)CCN(CCO)C1 ZINC001440011504 891339970 /nfs/dbraw/zinc/33/99/70/891339970.db2.gz YJIQXCARYLHHIY-AWEZNQCLSA-N 0 3 294.355 -1.046 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001440842567 891387627 /nfs/dbraw/zinc/38/76/27/891387627.db2.gz GZGOQWFQMHAAAG-SFYZADRCSA-N 0 3 293.389 -1.222 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)c[nH]1 ZINC001440023212 891341271 /nfs/dbraw/zinc/34/12/71/891341271.db2.gz MJGBNERYHQLQNW-ZDUSSCGKSA-N 0 3 296.327 -1.728 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@@]2(O)CCN(CC(N)=O)C2)C1 ZINC001440017442 891341992 /nfs/dbraw/zinc/34/19/92/891341992.db2.gz QKHJWMURELIEHG-RISCZKNCSA-N 0 3 298.387 -1.634 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCC1(O)CN(C[C@@H](C)O)C1 ZINC001440085515 891352661 /nfs/dbraw/zinc/35/26/61/891352661.db2.gz HOJXVZJJVQMXGG-SECBINFHSA-N 0 3 282.344 -1.196 20 0 CAADHN COCC(=O)N(CCO)CCN[C@H](C)C(=O)N(C)C ZINC001440200843 891356327 /nfs/dbraw/zinc/35/63/27/891356327.db2.gz QAIVHWMRLINPHZ-SNVBAGLBSA-N 0 3 275.349 -1.480 20 0 CAADHN C[C@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001440138665 891358193 /nfs/dbraw/zinc/35/81/93/891358193.db2.gz ZXDXJHSPKCYCDV-IUCAKERBSA-N 0 3 293.327 -1.035 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001440200865 891358587 /nfs/dbraw/zinc/35/85/87/891358587.db2.gz QRJAMSRSEQDSMD-BDAKNGLRSA-N 0 3 288.348 -2.205 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)[nH]n1 ZINC001440198169 891358639 /nfs/dbraw/zinc/35/86/39/891358639.db2.gz FRSZXAKICWFWON-SECBINFHSA-N 0 3 283.332 -1.384 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)n[nH]1 ZINC001440198169 891358653 /nfs/dbraw/zinc/35/86/53/891358653.db2.gz FRSZXAKICWFWON-SECBINFHSA-N 0 3 283.332 -1.384 20 0 CAADHN C[C@H](O)CN1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 ZINC001440188736 891358972 /nfs/dbraw/zinc/35/89/72/891358972.db2.gz DDQHKSYWQCDIBD-AAEUAGOBSA-N 0 3 297.359 -1.398 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001440201211 891360983 /nfs/dbraw/zinc/36/09/83/891360983.db2.gz QKRQSFICDJDQON-WDEREUQCSA-N 0 3 287.360 -1.698 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001440201199 891361491 /nfs/dbraw/zinc/36/14/91/891361491.db2.gz QKRQSFICDJDQON-GHMZBOCLSA-N 0 3 287.360 -1.698 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1nc(C)c[nH]1 ZINC001440208720 891361726 /nfs/dbraw/zinc/36/17/26/891361726.db2.gz SNPFMPCAGMVYBM-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1nonc1C ZINC001440207642 891362024 /nfs/dbraw/zinc/36/20/24/891362024.db2.gz QRBDCZGOOSMDPG-VIFPVBQESA-N 0 3 299.331 -1.463 20 0 CAADHN Cc1ncn(C)c1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001440207515 891362102 /nfs/dbraw/zinc/36/21/02/891362102.db2.gz OINWUSAMIYLARL-JTQLQIEISA-N 0 3 297.359 -1.374 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@@H]1COCCO1)C(N)=O ZINC001440204428 891362158 /nfs/dbraw/zinc/36/21/58/891362158.db2.gz ZUXJHRYMNVUKAN-UWVGGRQHSA-N 0 3 289.332 -2.314 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001440209932 891362222 /nfs/dbraw/zinc/36/22/22/891362222.db2.gz WYNVRVIODWXNBP-KXUCPTDWSA-N 0 3 298.343 -2.593 20 0 CAADHN Cc1nn(C)cc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001440203104 891362613 /nfs/dbraw/zinc/36/26/13/891362613.db2.gz WANJXTZIJAMNPX-SNVBAGLBSA-N 0 3 297.359 -1.374 20 0 CAADHN Cc1nnccc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001440205007 891363044 /nfs/dbraw/zinc/36/30/44/891363044.db2.gz HPHGLQWREBPOOS-SNVBAGLBSA-N 0 3 295.343 -1.317 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001440210629 891363366 /nfs/dbraw/zinc/36/33/66/891363366.db2.gz VKJMWRFPDPVDSN-MRVPVSSYSA-N 0 3 284.320 -2.037 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001440207441 891363516 /nfs/dbraw/zinc/36/35/16/891363516.db2.gz NHOKCHHVFALALA-NNYUYHANSA-N 0 3 299.371 -1.576 20 0 CAADHN CNS(=O)(=O)CC(=O)NCC1(NCC(N)=O)CCC1 ZINC001440357062 891364483 /nfs/dbraw/zinc/36/44/83/891364483.db2.gz XPIULJJOIKTCGF-UHFFFAOYSA-N 0 3 292.361 -2.351 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)c2nnn(C)n2)CCC1 ZINC001440317317 891364684 /nfs/dbraw/zinc/36/46/84/891364684.db2.gz JQCZGPQDUWTOSI-UHFFFAOYSA-N 0 3 295.347 -1.460 20 0 CAADHN CCN1C[C@@H](C(=O)NCC2(NCC(N)=O)CCC2)CC1=O ZINC001440311776 891365101 /nfs/dbraw/zinc/36/51/01/891365101.db2.gz ILMMLLYEILOYDB-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CCNC(=O)C2)CCC1 ZINC001440299271 891365410 /nfs/dbraw/zinc/36/54/10/891365410.db2.gz NAKDHQANVWTMCL-SNVBAGLBSA-N 0 3 296.371 -1.113 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 ZINC001440361878 891365482 /nfs/dbraw/zinc/36/54/82/891365482.db2.gz LOMUTGRVIYEYJZ-ZJUUUORDSA-N 0 3 287.316 -2.296 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)COC)CCO1 ZINC001440361895 891365540 /nfs/dbraw/zinc/36/55/40/891365540.db2.gz XVKDSSUDAXEBSA-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN Cn1cccc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001440363649 891365666 /nfs/dbraw/zinc/36/56/66/891365666.db2.gz QPTJYNMOVIPUMB-SNVBAGLBSA-N 0 3 280.328 -1.059 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)COC)CCO1 ZINC001440361893 891365936 /nfs/dbraw/zinc/36/59/36/891365936.db2.gz XVKDSSUDAXEBSA-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN CCN1C[C@H](C(=O)NCC2(NCC(N)=O)CCC2)CC1=O ZINC001440311779 891366031 /nfs/dbraw/zinc/36/60/31/891366031.db2.gz ILMMLLYEILOYDB-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN COCC(=O)N1CCO[C@H](CNCC(=O)NC2CC2)C1 ZINC001440352527 891366133 /nfs/dbraw/zinc/36/61/33/891366133.db2.gz BHIRJZJEOFSBPO-LLVKDONJSA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H](C)NC(C)=O)CCC1 ZINC001440287778 891366236 /nfs/dbraw/zinc/36/62/36/891366236.db2.gz ZOLDZRFJVMNQCJ-VIFPVBQESA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCO2)CCO1 ZINC001440364065 891366711 /nfs/dbraw/zinc/36/67/11/891366711.db2.gz RUJUUYBECMSQKH-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cccnc2)CCO1 ZINC001440366835 891368029 /nfs/dbraw/zinc/36/80/29/891368029.db2.gz ZTRVXOIZXOATCW-LLVKDONJSA-N 0 3 278.312 -1.003 20 0 CAADHN CC(C)C(=O)N1CCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001440364724 891368264 /nfs/dbraw/zinc/36/82/64/891368264.db2.gz WNZYZWXYZWPXEL-VIFPVBQESA-N 0 3 286.332 -1.346 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001440391672 891368794 /nfs/dbraw/zinc/36/87/94/891368794.db2.gz ZDBACZONDUWIAX-SNVBAGLBSA-N 0 3 279.300 -1.608 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2[nH]cnc2C)CCO1 ZINC001440390496 891368822 /nfs/dbraw/zinc/36/88/22/891368822.db2.gz CLHFZJPNVDVMIZ-JTQLQIEISA-N 0 3 295.343 -1.105 20 0 CAADHN Cc1ncoc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001440364558 891369388 /nfs/dbraw/zinc/36/93/88/891369388.db2.gz ARQONZGEDSUJKV-SECBINFHSA-N 0 3 282.300 -1.101 20 0 CAADHN CO[C@@H](C)CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001440384372 891369507 /nfs/dbraw/zinc/36/95/07/891369507.db2.gz UUWIXTPPNWCRMU-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001440391653 891370114 /nfs/dbraw/zinc/37/01/14/891370114.db2.gz ZDBACZONDUWIAX-JTQLQIEISA-N 0 3 279.300 -1.608 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCCO2)CCO1 ZINC001440364069 891370160 /nfs/dbraw/zinc/37/01/60/891370160.db2.gz RUJUUYBECMSQKH-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CCn1cnc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)c1 ZINC001440379868 891370544 /nfs/dbraw/zinc/37/05/44/891370544.db2.gz WLGJKYILKFZGPM-JTQLQIEISA-N 0 3 295.343 -1.181 20 0 CAADHN Cn1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)nn1 ZINC001440381565 891370626 /nfs/dbraw/zinc/37/06/26/891370626.db2.gz NOAWNLWCDNKMPF-QMMMGPOBSA-N 0 3 282.304 -2.269 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001440368613 891370657 /nfs/dbraw/zinc/37/06/57/891370657.db2.gz IFUIUUODIFECKR-QMMMGPOBSA-N 0 3 283.288 -1.754 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001440388208 891370696 /nfs/dbraw/zinc/37/06/96/891370696.db2.gz WARYYGMLXRJODZ-LBPRGKRZSA-N 0 3 297.355 -1.104 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cc[nH]c(=O)c2)CCO1 ZINC001440383595 891370925 /nfs/dbraw/zinc/37/09/25/891370925.db2.gz SILZGURDMCTJCW-JTQLQIEISA-N 0 3 294.311 -1.297 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001440373646 891371337 /nfs/dbraw/zinc/37/13/37/891371337.db2.gz IJXVNWDEEJSBPX-NSHDSACASA-N 0 3 299.371 -1.146 20 0 CAADHN Cc1ncoc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001440364562 891372113 /nfs/dbraw/zinc/37/21/13/891372113.db2.gz ARQONZGEDSUJKV-VIFPVBQESA-N 0 3 282.300 -1.101 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cc2cc[nH]n2)CCOCC1 ZINC001440567339 891372653 /nfs/dbraw/zinc/37/26/53/891372653.db2.gz XKZKZNZOPKHWNO-UHFFFAOYSA-N 0 3 295.343 -1.308 20 0 CAADHN CO[C@H](C)C(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001440566859 891372877 /nfs/dbraw/zinc/37/28/77/891372877.db2.gz UPSIYFMSRCWMHY-SECBINFHSA-N 0 3 273.333 -1.238 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2ccnnc2)CCOCC1 ZINC001440571579 891373721 /nfs/dbraw/zinc/37/37/21/891373721.db2.gz AIPLNPBHJMBUEB-UHFFFAOYSA-N 0 3 293.327 -1.170 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)Cn2cncn2)[C@H]1C ZINC001440503882 891375823 /nfs/dbraw/zinc/37/58/23/891375823.db2.gz MXOAYHHZPBHIPA-WOPDTQHZSA-N 0 3 297.359 -1.136 20 0 CAADHN CCOCC(=O)N1CCC(O)(CNCC(=O)NC)CC1 ZINC001440632000 891376376 /nfs/dbraw/zinc/37/63/76/891376376.db2.gz OKCQWYVKJWOGCT-UHFFFAOYSA-N 0 3 287.360 -1.288 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2cccnn2)CC1 ZINC001440636361 891376646 /nfs/dbraw/zinc/37/66/46/891376646.db2.gz MDWNSBMWYNKJQY-UHFFFAOYSA-N 0 3 293.327 -1.481 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2cnns2)CC1 ZINC001440627353 891376728 /nfs/dbraw/zinc/37/67/28/891376728.db2.gz KXLLRMAHFCYHIY-UHFFFAOYSA-N 0 3 299.356 -1.420 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001440587588 891377095 /nfs/dbraw/zinc/37/70/95/891377095.db2.gz HDDLVFBKDMLTSW-UWVGGRQHSA-N 0 3 295.347 -1.754 20 0 CAADHN CNC(=O)C[NH2+][C@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1C ZINC001440611332 891377409 /nfs/dbraw/zinc/37/74/09/891377409.db2.gz ZXCGMRBZBGSSNT-WPRPVWTQSA-N 0 3 293.327 -1.022 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C ZINC001440590168 891377478 /nfs/dbraw/zinc/37/74/78/891377478.db2.gz MUTBZGBRJFRIJD-IUCAKERBSA-N 0 3 291.373 -1.787 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@@H]1C ZINC001440590542 891378219 /nfs/dbraw/zinc/37/82/19/891378219.db2.gz SPYRRJCIQHIGPN-VHSXEESVSA-N 0 3 299.375 -1.512 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001440587593 891378119 /nfs/dbraw/zinc/37/81/19/891378119.db2.gz HDDLVFBKDMLTSW-VHSXEESVSA-N 0 3 295.347 -1.754 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2cnsn2)CC1 ZINC001440626344 891378474 /nfs/dbraw/zinc/37/84/74/891378474.db2.gz IUPXFVWOOAYEIY-UHFFFAOYSA-N 0 3 299.356 -1.420 20 0 CAADHN CO[C@@H](C(=O)N1CCC(O)(CNCC(N)=O)CC1)C1CC1 ZINC001440629916 891378645 /nfs/dbraw/zinc/37/86/45/891378645.db2.gz DCRSZNXEAQOJLT-GFCCVEGCSA-N 0 3 299.371 -1.160 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCNC(=O)NC)C[C@@H]1C ZINC001440590531 891378788 /nfs/dbraw/zinc/37/87/88/891378788.db2.gz SPYRRJCIQHIGPN-UWVGGRQHSA-N 0 3 299.375 -1.512 20 0 CAADHN C[C@H]1C[C@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)CO1 ZINC001440625109 891378819 /nfs/dbraw/zinc/37/88/19/891378819.db2.gz XGSPTBMFWNCKBF-QWRGUYRKSA-N 0 3 299.371 -1.160 20 0 CAADHN Cn1cc(C(=O)NC2(CO)CCN(CCCO)CC2)nn1 ZINC001440696054 891378876 /nfs/dbraw/zinc/37/88/76/891378876.db2.gz KRMXKPWUAUKVMR-UHFFFAOYSA-N 0 3 297.359 -1.246 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NC1(CO)CCN(CCO)CC1 ZINC001440694208 891378909 /nfs/dbraw/zinc/37/89/09/891378909.db2.gz JTMXEAKOHGOCAF-UHFFFAOYSA-N 0 3 298.343 -1.027 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C ZINC001440590550 891378949 /nfs/dbraw/zinc/37/89/49/891378949.db2.gz SPYRRJCIQHIGPN-ZJUUUORDSA-N 0 3 299.375 -1.512 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C ZINC001440586335 891379290 /nfs/dbraw/zinc/37/92/90/891379290.db2.gz DRZLXSSSPIABHZ-KOLCDFICSA-N 0 3 296.371 -1.305 20 0 CAADHN Cc1nc[nH]c1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001440638989 891379362 /nfs/dbraw/zinc/37/93/62/891379362.db2.gz JSTWOKZDLPVOGU-UHFFFAOYSA-N 0 3 295.343 -1.240 20 0 CAADHN COCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001440590240 891379416 /nfs/dbraw/zinc/37/94/16/891379416.db2.gz KOBNNTJJLJUXES-JGVFFNPUSA-N 0 3 272.305 -1.736 20 0 CAADHN C[C@H](NC[C@@H]1CCCCN1C(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001440716431 891379941 /nfs/dbraw/zinc/37/99/41/891379941.db2.gz ISXOUGYQVJRHGV-GUBZILKMSA-N 0 3 299.375 -1.112 20 0 CAADHN Cc1nc(CN[C@@H](C)[C@H](C)NC(=O)Cn2cnnn2)n[nH]1 ZINC001440780840 891380879 /nfs/dbraw/zinc/38/08/79/891380879.db2.gz JXOLXBFQKRWZGT-YUMQZZPRSA-N 0 3 293.335 -1.217 20 0 CAADHN CCNC(=O)CCC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001440779890 891381957 /nfs/dbraw/zinc/38/19/57/891381957.db2.gz RBSRUOXJIAZVAF-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001440804705 891382809 /nfs/dbraw/zinc/38/28/09/891382809.db2.gz VWEKADTWFKZTHB-BDAKNGLRSA-N 0 3 298.347 -2.189 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC1CC1 ZINC001440783362 891382905 /nfs/dbraw/zinc/38/29/05/891382905.db2.gz HFXCUFOVUZCOMS-IUCAKERBSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001440801347 891383239 /nfs/dbraw/zinc/38/32/39/891383239.db2.gz GIVWRFGPOMWYFX-NXEZZACHSA-N 0 3 299.375 -2.272 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001440804724 891383433 /nfs/dbraw/zinc/38/34/33/891383433.db2.gz VWEKADTWFKZTHB-RKDXNWHRSA-N 0 3 298.347 -2.189 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC1CC1 ZINC001440783365 891383540 /nfs/dbraw/zinc/38/35/40/891383540.db2.gz HFXCUFOVUZCOMS-RKDXNWHRSA-N 0 3 299.375 -1.323 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cn[nH]c1 ZINC001440785511 891383689 /nfs/dbraw/zinc/38/36/89/891383689.db2.gz PTNOWZRKMXJWMZ-SFYZADRCSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1ccon1 ZINC001440775320 891383996 /nfs/dbraw/zinc/38/39/96/891383996.db2.gz DRHQHFKUZVBBIL-RNFRBKRXSA-N 0 3 283.288 -1.034 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001440842561 891384283 /nfs/dbraw/zinc/38/42/83/891384283.db2.gz GZGOQWFQMHAAAG-HTQZYQBOSA-N 0 3 293.389 -1.222 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCNC(N)=O ZINC001440860669 891385061 /nfs/dbraw/zinc/38/50/61/891385061.db2.gz LMHJGXBGZLTFHS-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](NC(=O)c1ccc2nnnn2c1)[C@H](C)NCC(N)=O ZINC001440806137 891385128 /nfs/dbraw/zinc/38/51/28/891385128.db2.gz RCWCHTCBFQNGKM-JGVFFNPUSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@H](NCc1nnnn1C)[C@H](C)NC(=O)c1nc[nH]n1 ZINC001440835606 891385253 /nfs/dbraw/zinc/38/52/53/891385253.db2.gz JCSXUDAUJNHZBY-BQBZGAKWSA-N 0 3 279.308 -1.375 20 0 CAADHN C[C@@H](NC(=O)Cn1ccnc1)[C@H](C)NCC(=O)NC(N)=O ZINC001440848390 891385908 /nfs/dbraw/zinc/38/59/08/891385908.db2.gz IHDRSCZGNMFBEO-DTWKUNHWSA-N 0 3 296.331 -1.439 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)Cc1cnoc1 ZINC001440824791 891385994 /nfs/dbraw/zinc/38/59/94/891385994.db2.gz ZDTHWZVXKRVAMN-SFYZADRCSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001440862419 891387035 /nfs/dbraw/zinc/38/70/35/891387035.db2.gz SJPUXLSASBFGQD-HTQZYQBOSA-N 0 3 283.332 -1.695 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001440902671 891387088 /nfs/dbraw/zinc/38/70/88/891387088.db2.gz SNQCGNZDAHUSJV-VHSXEESVSA-N 0 3 286.336 -1.883 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001440824697 891387139 /nfs/dbraw/zinc/38/71/39/891387139.db2.gz YTVBMSSLAFNKAF-BDAKNGLRSA-N 0 3 297.363 -1.215 20 0 CAADHN C[C@@H](NCc1nnnn1C)[C@H](C)NC(=O)c1nc[nH]n1 ZINC001440835615 891387310 /nfs/dbraw/zinc/38/73/10/891387310.db2.gz JCSXUDAUJNHZBY-RQJHMYQMSA-N 0 3 279.308 -1.375 20 0 CAADHN CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001440838005 891388962 /nfs/dbraw/zinc/38/89/62/891388962.db2.gz JZAUTHHRPYDDAR-BDAKNGLRSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](NC(=O)c1cn(C)c(=O)n1C)[C@H](C)NCC(N)=O ZINC001440862421 891389106 /nfs/dbraw/zinc/38/91/06/891389106.db2.gz SJPUXLSASBFGQD-JGVFFNPUSA-N 0 3 283.332 -1.695 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001440955676 891389596 /nfs/dbraw/zinc/38/95/96/891389596.db2.gz BWWNPTQBWVTIGL-NXEZZACHSA-N 0 3 298.343 -1.173 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N(C)CCO ZINC001440976535 891394159 /nfs/dbraw/zinc/39/41/59/891394159.db2.gz XRHOPEGINKHODN-LPEHRKFASA-N 0 3 273.333 -1.552 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)C1CCN(CCO)CC1 ZINC001441003251 891394268 /nfs/dbraw/zinc/39/42/68/891394268.db2.gz AGDQJJCUAGWNTO-UHFFFAOYSA-N 0 3 293.389 -1.549 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H](C)N(C)CCOC ZINC001441020069 891396398 /nfs/dbraw/zinc/39/63/98/891396398.db2.gz FQKCMZZNOCUDCA-SECBINFHSA-N 0 3 281.378 -1.382 20 0 CAADHN CCC(=O)NC[C@H](NCC(=O)N1CCNC(=O)C1)C1CC1 ZINC001441156308 891403098 /nfs/dbraw/zinc/40/30/98/891403098.db2.gz QIHGWDGZCNWNPM-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN COC[C@H](O)CN1CC([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001441139650 891403207 /nfs/dbraw/zinc/40/32/07/891403207.db2.gz XFYWPBDXLQIFSQ-GXSJLCMTSA-N 0 3 298.347 -1.883 20 0 CAADHN COC[C@H](O)CN1CC([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001441139653 891403318 /nfs/dbraw/zinc/40/33/18/891403318.db2.gz XFYWPBDXLQIFSQ-MWLCHTKSSA-N 0 3 298.347 -1.883 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001441170411 891403700 /nfs/dbraw/zinc/40/37/00/891403700.db2.gz BFXRUWDPBKBEQT-GHMZBOCLSA-N 0 3 296.371 -1.115 20 0 CAADHN CCC(=O)NC[C@@H](NCC(=O)N1CCNC(=O)C1)C1CC1 ZINC001441156288 891403904 /nfs/dbraw/zinc/40/39/04/891403904.db2.gz QIHGWDGZCNWNPM-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](C(=O)NC[C@H](NCC(N)=O)C1CC1)n1cncn1 ZINC001441180702 891404603 /nfs/dbraw/zinc/40/46/03/891404603.db2.gz RVWVXWRNMVZDHD-SCZZXKLOSA-N 0 3 280.332 -1.191 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CNC(=O)C1CC1)C1CC1 ZINC001441167618 891404945 /nfs/dbraw/zinc/40/49/45/891404945.db2.gz KZHRMDIJEZYILU-JTQLQIEISA-N 0 3 282.344 -1.518 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)Cn1cnnn1)C1CC1)C(N)=O ZINC001441175738 891404987 /nfs/dbraw/zinc/40/49/87/891404987.db2.gz SSVRUFREIGJHDB-APPZFPTMSA-N 0 3 281.320 -1.969 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001441334152 891406250 /nfs/dbraw/zinc/40/62/50/891406250.db2.gz NWZBTSDXLWWPIQ-ZETCQYMHSA-N 0 3 295.303 -2.186 20 0 CAADHN O=C(Cn1cncn1)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001441269505 891406750 /nfs/dbraw/zinc/40/67/50/891406750.db2.gz LADLLONVFSGHSD-WDEREUQCSA-N 0 3 292.343 -1.349 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](N[C@@H]2CCNC2=O)C2CC2)n1 ZINC001441211340 891406870 /nfs/dbraw/zinc/40/68/70/891406870.db2.gz MPKGZQQGFVRKKX-ZJUUUORDSA-N 0 3 292.343 -1.198 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)c1cc2n(n1)CCO2)C1CC1 ZINC001441212825 891407064 /nfs/dbraw/zinc/40/70/64/891407064.db2.gz VCIDUJSFZXZUIV-SNVBAGLBSA-N 0 3 293.327 -1.141 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H](C)CC(N)=O)C1CC1 ZINC001441223206 891407284 /nfs/dbraw/zinc/40/72/84/891407284.db2.gz HRTRDUOUMPYSKR-WPRPVWTQSA-N 0 3 284.360 -1.272 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001441335066 891407516 /nfs/dbraw/zinc/40/75/16/891407516.db2.gz SJBAEHPPYINZGQ-NSHDSACASA-N 0 3 279.344 -1.101 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)c1cc2n(n1)CCO2)C1CC1 ZINC001441212821 891407710 /nfs/dbraw/zinc/40/77/10/891407710.db2.gz VCIDUJSFZXZUIV-JTQLQIEISA-N 0 3 293.327 -1.141 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)COC)CCO1 ZINC001441306329 891407827 /nfs/dbraw/zinc/40/78/27/891407827.db2.gz APSOHIYSVWCFKC-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CCC(=O)N1 ZINC001441228456 891408138 /nfs/dbraw/zinc/40/81/38/891408138.db2.gz MQNBFISZMPJIDA-RNCFNFMXSA-N 0 3 282.344 -1.375 20 0 CAADHN Cn1ncc(CCC(=O)NC[C@H](NCC(N)=O)C2CC2)n1 ZINC001441224808 891408218 /nfs/dbraw/zinc/40/82/18/891408218.db2.gz LUYZJPPRXUVZOO-NSHDSACASA-N 0 3 294.359 -1.283 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cocn2)CCO1 ZINC001441315648 891408315 /nfs/dbraw/zinc/40/83/15/891408315.db2.gz MXIZNDNJJKHUNS-SCZZXKLOSA-N 0 3 282.300 -1.021 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cocn2)CCO1 ZINC001441315650 891408559 /nfs/dbraw/zinc/40/85/59/891408559.db2.gz MXIZNDNJJKHUNS-WPRPVWTQSA-N 0 3 282.300 -1.021 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001441365451 891411139 /nfs/dbraw/zinc/41/11/39/891411139.db2.gz QFFUXZJNYJEVKU-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2nnc[n-]2)C1)C(N)=O ZINC001441385366 891411273 /nfs/dbraw/zinc/41/12/73/891411273.db2.gz HXGXTEJYUABSBS-CIUDSAMLSA-N 0 3 280.332 -1.152 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CN(C)CCO1)NCC(N)=O ZINC001441500815 891413093 /nfs/dbraw/zinc/41/30/93/891413093.db2.gz JRUVSBCKEAXWNL-VHSXEESVSA-N 0 3 272.349 -1.761 20 0 CAADHN CN(C(=O)c1cnnn1C)[C@H](CNCC(N)=O)C1CC1 ZINC001441460907 891413114 /nfs/dbraw/zinc/41/31/14/891413114.db2.gz YYXPAJQNWJMTJO-SECBINFHSA-N 0 3 280.332 -1.259 20 0 CAADHN CN(C(=O)c1cnnn1C)[C@@H](CNCC(N)=O)C1CC1 ZINC001441460913 891413130 /nfs/dbraw/zinc/41/31/30/891413130.db2.gz YYXPAJQNWJMTJO-VIFPVBQESA-N 0 3 280.332 -1.259 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)c1cn[nH]c1 ZINC001441501092 891413264 /nfs/dbraw/zinc/41/32/64/891413264.db2.gz OLXYFWYJFUPHNP-QMMMGPOBSA-N 0 3 296.331 -1.085 20 0 CAADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](NCC(N)=O)C1 ZINC001441427720 891413795 /nfs/dbraw/zinc/41/37/95/891413795.db2.gz DRVUGIUNOWJMQV-IWSPIJDZSA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCCC1=O)NCC(N)=O ZINC001441488023 891414125 /nfs/dbraw/zinc/41/41/25/891414125.db2.gz KXXYTVKCTXEXRU-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CN(C(=O)[C@H]1CCCC(=O)N1)[C@H](CNCC(N)=O)C1CC1 ZINC001441434590 891414199 /nfs/dbraw/zinc/41/41/99/891414199.db2.gz AXIIGCBDRBNWIJ-GHMZBOCLSA-N 0 3 296.371 -1.033 20 0 CAADHN O=C(NC[C@H](CO)NCCO)[C@H]1CCS(=O)(=O)C1 ZINC001441724617 891440799 /nfs/dbraw/zinc/44/07/99/891440799.db2.gz UFECCCFPHSDYFX-DTWKUNHWSA-N 0 3 280.346 -2.520 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001441485714 891414646 /nfs/dbraw/zinc/41/46/46/891414646.db2.gz IQOXHYSIYJKASE-BDAKNGLRSA-N 0 3 283.336 -1.756 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1cnn(C)c1N ZINC001441504909 891415717 /nfs/dbraw/zinc/41/57/17/891415717.db2.gz ALTUKSALHHMKJD-QMMMGPOBSA-N 0 3 282.348 -1.202 20 0 CAADHN CCN1C[C@@H](C(=O)N(C)C[C@@H](C)NCC(N)=O)CC1=O ZINC001441519271 891415961 /nfs/dbraw/zinc/41/59/61/891415961.db2.gz HRDPCUPGQCFARP-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001441565269 891416296 /nfs/dbraw/zinc/41/62/96/891416296.db2.gz CJDHIQDDMGBORJ-HTQZYQBOSA-N 0 3 283.336 -1.605 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)NCC(=O)NC1CC1 ZINC001441523178 891416361 /nfs/dbraw/zinc/41/63/61/891416361.db2.gz MULFWQQSBXAVLH-SECBINFHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCN1C[C@H](C(=O)N(C)C[C@@H](C)NCC(N)=O)CC1=O ZINC001441519255 891416465 /nfs/dbraw/zinc/41/64/65/891416465.db2.gz HRDPCUPGQCFARP-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H]1CCCNC1=O ZINC001441520853 891416541 /nfs/dbraw/zinc/41/65/41/891416541.db2.gz JYIXOARYISKREQ-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CCN1C[C@H](C(=O)N(C)C[C@H](C)NCC(N)=O)CC1=O ZINC001441519265 891416613 /nfs/dbraw/zinc/41/66/13/891416613.db2.gz HRDPCUPGQCFARP-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)NCC(N)=O ZINC001441529404 891416647 /nfs/dbraw/zinc/41/66/47/891416647.db2.gz OBCKSQIGKPEGJK-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)N[C@H]1CCCNC1=O ZINC001441520852 891416734 /nfs/dbraw/zinc/41/67/34/891416734.db2.gz JYIXOARYISKREQ-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)N[C@H](C)C(N)=O ZINC001441520079 891416873 /nfs/dbraw/zinc/41/68/73/891416873.db2.gz BAMDAJRSSPCUJF-HTQZYQBOSA-N 0 3 291.373 -1.659 20 0 CAADHN C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)NCC(N)=O ZINC001441529406 891417364 /nfs/dbraw/zinc/41/73/64/891417364.db2.gz OBCKSQIGKPEGJK-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001441517933 891417731 /nfs/dbraw/zinc/41/77/31/891417731.db2.gz PHIKIXMRJSYITQ-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CN1CCCNC1=O ZINC001441543919 891417914 /nfs/dbraw/zinc/41/79/14/891417914.db2.gz GGTOGYURQSOKQQ-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001441580914 891419172 /nfs/dbraw/zinc/41/91/72/891419172.db2.gz HIAKBDMYQCWYRP-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)NCC(=O)N1CCC1 ZINC001441603884 891419359 /nfs/dbraw/zinc/41/93/59/891419359.db2.gz YNENDBBELASZDV-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001441580907 891419417 /nfs/dbraw/zinc/41/94/17/891419417.db2.gz HIAKBDMYQCWYRP-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN Cn1ncc(C(=O)N2CCCC[C@@H]2CNCC(N)=O)n1 ZINC001441656074 891419507 /nfs/dbraw/zinc/41/95/07/891419507.db2.gz NXIAWLSBUCCNTM-SECBINFHSA-N 0 3 280.332 -1.115 20 0 CAADHN C[C@@H](CN(C)C(=O)Cc1cnc[nH]1)NCC(=O)NC(N)=O ZINC001441609689 891419702 /nfs/dbraw/zinc/41/97/02/891419702.db2.gz QPYREHKAHFCPKS-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cccc(=O)n1C)NCC(N)=O ZINC001441603418 891419763 /nfs/dbraw/zinc/41/97/63/891419763.db2.gz ZJNICXLOHVAION-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001441621491 891420217 /nfs/dbraw/zinc/42/02/17/891420217.db2.gz WEKRNXJHLCXESG-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@@H](C)NCC(N)=O ZINC001441874367 891461762 /nfs/dbraw/zinc/46/17/62/891461762.db2.gz SCESSXUFAFCZNR-MRVPVSSYSA-N 0 3 274.321 -2.329 20 0 CAADHN C[C@H](CN(C)C(=O)c1cccc(=O)n1C)NCC(N)=O ZINC001441603406 891420342 /nfs/dbraw/zinc/42/03/42/891420342.db2.gz ZJNICXLOHVAION-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NCC(=O)NC(N)=O ZINC001441617480 891420605 /nfs/dbraw/zinc/42/06/05/891420605.db2.gz CWAPYAWKTNBPNN-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN COCCC(=O)NC[C@@H](CO)NCc1ccn(C)c(=O)c1 ZINC001441654595 891420724 /nfs/dbraw/zinc/42/07/24/891420724.db2.gz LCBFFDAUAUVMLG-LBPRGKRZSA-N 0 3 297.355 -1.012 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)N[C@H](C)C(N)=O ZINC001441647255 891420758 /nfs/dbraw/zinc/42/07/58/891420758.db2.gz QZZJXLWFCZKCCD-RKDXNWHRSA-N 0 3 295.343 -1.296 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CCn1cnnn1 ZINC001441619010 891421408 /nfs/dbraw/zinc/42/14/08/891421408.db2.gz LUYKDIQJJRLYMS-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN Cc1nc(CN[C@@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)n[nH]1 ZINC001441590155 891421458 /nfs/dbraw/zinc/42/14/58/891421458.db2.gz JTYMUJPUNYXNHR-CBAPKCEASA-N 0 3 295.347 -1.269 20 0 CAADHN Cc1cc(C(=O)NC[C@H](CO)NCCn2cncn2)[nH]n1 ZINC001441675206 891426031 /nfs/dbraw/zinc/42/60/31/891426031.db2.gz PKFGMRMAEQDIHC-SNVBAGLBSA-N 0 3 293.331 -1.310 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)C1=COCCO1 ZINC001441674328 891427327 /nfs/dbraw/zinc/42/73/27/891427327.db2.gz XXVCWLYMLNORNL-SNVBAGLBSA-N 0 3 297.315 -1.767 20 0 CAADHN COC[C@H](C)[NH2+][C@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001441702673 891434961 /nfs/dbraw/zinc/43/49/61/891434961.db2.gz BESRPHATHKHCSY-IUCAKERBSA-N 0 3 284.316 -1.103 20 0 CAADHN C[C@H](N[C@H](CO)CNC(=O)CCc1c[nH]cn1)C(N)=O ZINC001441705138 891436887 /nfs/dbraw/zinc/43/68/87/891436887.db2.gz KYSKHPZCSZSTSE-WPRPVWTQSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@H](N[C@H](CO)CNC(=O)CCc1cnc[nH]1)C(N)=O ZINC001441705138 891436902 /nfs/dbraw/zinc/43/69/02/891436902.db2.gz KYSKHPZCSZSTSE-WPRPVWTQSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@H](O)CN[C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001441708078 891438132 /nfs/dbraw/zinc/43/81/32/891438132.db2.gz QTMPTZLEMNLEQT-IONNQARKSA-N 0 3 280.346 -2.522 20 0 CAADHN C[C@H](N[C@@H](CO)CNC(=O)CCc1c[nH]cn1)C(N)=O ZINC001441705137 891437958 /nfs/dbraw/zinc/43/79/58/891437958.db2.gz KYSKHPZCSZSTSE-WCBMZHEXSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@H](N[C@@H](CO)CNC(=O)CCc1cnc[nH]1)C(N)=O ZINC001441705137 891437959 /nfs/dbraw/zinc/43/79/59/891437959.db2.gz KYSKHPZCSZSTSE-WCBMZHEXSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@@H](O)CN[C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001441708072 891438191 /nfs/dbraw/zinc/43/81/91/891438191.db2.gz QTMPTZLEMNLEQT-APPZFPTMSA-N 0 3 280.346 -2.522 20 0 CAADHN O=C(NC[C@H](CO)NCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001441724621 891440739 /nfs/dbraw/zinc/44/07/39/891440739.db2.gz UFECCCFPHSDYFX-RKDXNWHRSA-N 0 3 280.346 -2.520 20 0 CAADHN O=C(CCN1CCOCC1)NC[C@H](CO)NCCF ZINC001441755312 891442546 /nfs/dbraw/zinc/44/25/46/891442546.db2.gz PRCCRABPNIRNQE-LLVKDONJSA-N 0 3 277.340 -1.255 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001441754214 891443284 /nfs/dbraw/zinc/44/32/84/891443284.db2.gz HWYKMYGCENUUQA-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001441746225 891443387 /nfs/dbraw/zinc/44/33/87/891443387.db2.gz CUYRJUXSQJYKJP-WDEREUQCSA-N 0 3 286.376 -1.859 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@@H](CO)NCCn1cncn1 ZINC001441745444 891444596 /nfs/dbraw/zinc/44/45/96/891444596.db2.gz CTPAPZILWWTFSO-NSHDSACASA-N 0 3 293.331 -1.689 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)CNC(C)=O ZINC001441746155 891444769 /nfs/dbraw/zinc/44/47/69/891444769.db2.gz BOYANMUSKSCXFL-ZETCQYMHSA-N 0 3 287.320 -2.328 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NCc1cnon1)N(C)C ZINC001441749299 891445213 /nfs/dbraw/zinc/44/52/13/891445213.db2.gz IVCJWJLNBUVMLS-MNOVXSKESA-N 0 3 285.348 -1.024 20 0 CAADHN C[C@@H](CNC(=O)c1cnccn1)N[C@@H](C)C(=O)NC(N)=O ZINC001441760348 891447632 /nfs/dbraw/zinc/44/76/32/891447632.db2.gz NNWKBXGIYXPEIL-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)N[C@H]1CCCNC1=O ZINC001441766950 891448350 /nfs/dbraw/zinc/44/83/50/891448350.db2.gz JGKCJOWCSAWCMF-ONGXEEELSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cn[nH]c1 ZINC001441766848 891448408 /nfs/dbraw/zinc/44/84/08/891448408.db2.gz INTXGHRHLGONMP-HTQZYQBOSA-N 0 3 296.331 -1.038 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](C)N[C@@H]1CCCNC1=O ZINC001441757150 891448478 /nfs/dbraw/zinc/44/84/78/891448478.db2.gz CWIINMKGSUIRBY-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cn[nH]c1 ZINC001441766856 891448606 /nfs/dbraw/zinc/44/86/06/891448606.db2.gz INTXGHRHLGONMP-YUMQZZPRSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)NCCS(C)(=O)=O ZINC001441774209 891450339 /nfs/dbraw/zinc/45/03/39/891450339.db2.gz IYPSCKZHKIJULW-MRVPVSSYSA-N 0 3 290.349 -2.188 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001441782480 891450596 /nfs/dbraw/zinc/45/05/96/891450596.db2.gz CRKXQKFTKOTXKI-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN C[C@@H](CNC(=O)c1cn[nH]c1)NCC(=O)N1CCOCC1 ZINC001441775135 891450636 /nfs/dbraw/zinc/45/06/36/891450636.db2.gz XMYBUBNMFKDKEH-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN COCCC(=O)NC[C@H](C)NCC(=O)N1CCOCC1 ZINC001441774712 891450718 /nfs/dbraw/zinc/45/07/18/891450718.db2.gz RDYKLSPDCDFDLS-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@H](CNC(=O)c1ccnn1C)N[C@@H](C)C(=O)NC(N)=O ZINC001441776005 891450897 /nfs/dbraw/zinc/45/08/97/891450897.db2.gz DESFNABFYNFDEG-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCOC1)NCC(=O)N1CCOCC1 ZINC001441786546 891450978 /nfs/dbraw/zinc/45/09/78/891450978.db2.gz UDMDUSMIIXPBRO-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCOC1)NCC(=O)N1CCOCC1 ZINC001441786540 891451195 /nfs/dbraw/zinc/45/11/95/891451195.db2.gz UDMDUSMIIXPBRO-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@@H]1CCC(=O)N1 ZINC001441779043 891451330 /nfs/dbraw/zinc/45/13/30/891451330.db2.gz IJAAPKVXAQOLTR-ZJUUUORDSA-N 0 3 296.331 -2.377 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ccnn1C)C(=O)NC(N)=O ZINC001441776001 891451737 /nfs/dbraw/zinc/45/17/37/891451737.db2.gz DESFNABFYNFDEG-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)NCCS(C)(=O)=O ZINC001441774480 891452352 /nfs/dbraw/zinc/45/23/52/891452352.db2.gz IYPSCKZHKIJULW-QMMMGPOBSA-N 0 3 290.349 -2.188 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@@H]1CCC(=O)N1 ZINC001441779039 891452570 /nfs/dbraw/zinc/45/25/70/891452570.db2.gz IJAAPKVXAQOLTR-UWVGGRQHSA-N 0 3 296.331 -2.377 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1N)NCC(=O)N(C)C ZINC001441791679 891453790 /nfs/dbraw/zinc/45/37/90/891453790.db2.gz IIBWCQORNOWUSW-MRVPVSSYSA-N 0 3 282.348 -1.202 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)NCC(=O)N(C)C ZINC001441797874 891454221 /nfs/dbraw/zinc/45/42/21/891454221.db2.gz YQNOKVMODVFCNS-MNOVXSKESA-N 0 3 286.376 -1.501 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1N)NCC(=O)N(C)C ZINC001441791680 891454275 /nfs/dbraw/zinc/45/42/75/891454275.db2.gz IIBWCQORNOWUSW-QMMMGPOBSA-N 0 3 282.348 -1.202 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001441800697 891454301 /nfs/dbraw/zinc/45/43/01/891454301.db2.gz FDUZYSIEPTXORO-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001441802392 891454507 /nfs/dbraw/zinc/45/45/07/891454507.db2.gz QZEKJZHZNGAKIF-VIFPVBQESA-N 0 3 295.303 -1.650 20 0 CAADHN C[C@@H](CNC(=O)CCn1cncn1)NCC(=O)N1CCC1 ZINC001441795630 891454696 /nfs/dbraw/zinc/45/46/96/891454696.db2.gz YTWAFJQGIRRIMP-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1C ZINC001441798994 891454748 /nfs/dbraw/zinc/45/47/48/891454748.db2.gz AFSSOEUPKIVCBD-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)NCC(=O)N(C)C ZINC001441797879 891454969 /nfs/dbraw/zinc/45/49/69/891454969.db2.gz YQNOKVMODVFCNS-WDEREUQCSA-N 0 3 286.376 -1.501 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001441791090 891455477 /nfs/dbraw/zinc/45/54/77/891455477.db2.gz SOMOFGQDXQTUQS-HTQZYQBOSA-N 0 3 299.331 -2.185 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1C ZINC001441799166 891455687 /nfs/dbraw/zinc/45/56/87/891455687.db2.gz BCBOTWBFPDYDQU-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C[C@H]1C ZINC001441826163 891457125 /nfs/dbraw/zinc/45/71/25/891457125.db2.gz UXLCGVXPJUHVDQ-PWSUYJOCSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CNC(=O)c1cnc2n[nH]nc2c1)NCC(N)=O ZINC001441856750 891457141 /nfs/dbraw/zinc/45/71/41/891457141.db2.gz GMWDVMNJUXNCLX-LURJTMIESA-N 0 3 277.288 -1.454 20 0 CAADHN COCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C[C@@H]1C ZINC001441813062 891457190 /nfs/dbraw/zinc/45/71/90/891457190.db2.gz FLFYQOANCVXJEP-YUMQZZPRSA-N 0 3 272.305 -1.593 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)N[C@H]1CCN(C)C1=O ZINC001441830999 891457617 /nfs/dbraw/zinc/45/76/17/891457617.db2.gz UOMZOHOTFXRGFT-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001441839803 891457762 /nfs/dbraw/zinc/45/77/62/891457762.db2.gz JBIGDCCLBFGZNM-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N[C@H](C)C(=O)N(C)C ZINC001441811226 891458066 /nfs/dbraw/zinc/45/80/66/891458066.db2.gz KHDBKUSODGDWNI-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)c1nnn(C)n1 ZINC001441839653 891458282 /nfs/dbraw/zinc/45/82/82/891458282.db2.gz PGDCSNFBENJJFF-RKDXNWHRSA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@@H](CNC(=O)CCS(C)(=O)=O)N[C@@H]1CCNC1=O ZINC001441849144 891458415 /nfs/dbraw/zinc/45/84/15/891458415.db2.gz BHZIMLXNCUYPIF-DTWKUNHWSA-N 0 3 291.373 -1.596 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001441827059 891458992 /nfs/dbraw/zinc/45/89/92/891458992.db2.gz SBCDZLFTKODSSX-HTQZYQBOSA-N 0 3 272.305 -1.675 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001441843331 891459048 /nfs/dbraw/zinc/45/90/48/891459048.db2.gz VKXOMDRYEUYESE-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CNC(=O)NC ZINC001441856536 891459066 /nfs/dbraw/zinc/45/90/66/891459066.db2.gz HOMCDUZDMPBSPB-QMMMGPOBSA-N 0 3 273.337 -1.854 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001441839402 891459075 /nfs/dbraw/zinc/45/90/75/891459075.db2.gz DVZFTOCFGSZKPP-HTQZYQBOSA-N 0 3 271.321 -2.020 20 0 CAADHN COCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C[C@H]1C ZINC001441813057 891459085 /nfs/dbraw/zinc/45/90/85/891459085.db2.gz FLFYQOANCVXJEP-SFYZADRCSA-N 0 3 272.305 -1.593 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001441811222 891459262 /nfs/dbraw/zinc/45/92/62/891459262.db2.gz KHDBKUSODGDWNI-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](CNC(=O)c1cnc2n[nH]nc2c1)NCC(N)=O ZINC001441856753 891459521 /nfs/dbraw/zinc/45/95/21/891459521.db2.gz GMWDVMNJUXNCLX-ZCFIWIBFSA-N 0 3 277.288 -1.454 20 0 CAADHN C[C@@H](CNC(=O)c1cnc[n-]c1=O)[NH2+][C@H]1CCNC1=O ZINC001441863630 891460743 /nfs/dbraw/zinc/46/07/43/891460743.db2.gz NEPIHDBUWDUFNV-CBAPKCEASA-N 0 3 279.300 -1.221 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@H](C)C(=O)N(C)C ZINC001441864316 891461077 /nfs/dbraw/zinc/46/10/77/891461077.db2.gz NIJGNPVJKSSGFC-RKDXNWHRSA-N 0 3 287.364 -1.514 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cn(C)ccc1=O)C(N)=O ZINC001441902822 891461144 /nfs/dbraw/zinc/46/11/44/891461144.db2.gz FTCBYXAKMNVWLH-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)N[C@H](C)C(N)=O ZINC001441902828 891461278 /nfs/dbraw/zinc/46/12/78/891461278.db2.gz FTCBYXAKMNVWLH-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)N[C@H]1CCNC1=O ZINC001441894393 891461612 /nfs/dbraw/zinc/46/16/12/891461612.db2.gz UCRDMNRNSAAHQX-YUMQZZPRSA-N 0 3 294.311 -1.025 20 0 CAADHN C[C@@H](CNC(=O)c1ccnc2c1CC(=O)N2)NCC(N)=O ZINC001441877662 891461638 /nfs/dbraw/zinc/46/16/38/891461638.db2.gz VLQDDORQEZPPDL-ZETCQYMHSA-N 0 3 291.311 -1.231 20 0 CAADHN C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CCNC(N)=O ZINC001441888644 891461658 /nfs/dbraw/zinc/46/16/58/891461658.db2.gz ZYIJZHSLRLYJFC-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CN1CCCNC1=O)C(N)=O ZINC001441865062 891461751 /nfs/dbraw/zinc/46/17/51/891461751.db2.gz DGMJDKCTCHYYFN-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)c2nnn(C)n2)n[nH]1 ZINC001441907689 891461870 /nfs/dbraw/zinc/46/18/70/891461870.db2.gz BALQZXJGQXGSNK-LURJTMIESA-N 0 3 279.308 -1.455 20 0 CAADHN CO[C@H](C(=O)NC[C@@H](C)NCC(N)=O)c1cnn(C)c1 ZINC001441912812 891461935 /nfs/dbraw/zinc/46/19/35/891461935.db2.gz IVZAZPAISSBQEE-KCJUWKMLSA-N 0 3 283.332 -1.313 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)N[C@@H](C)C(N)=O ZINC001441902820 891462308 /nfs/dbraw/zinc/46/23/08/891462308.db2.gz FTCBYXAKMNVWLH-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)CCNC(N)=O ZINC001441888647 891462340 /nfs/dbraw/zinc/46/23/40/891462340.db2.gz ZYIJZHSLRLYJFC-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CNC(=O)c1ccn2nnnc2c1)N[C@@H](C)C(N)=O ZINC001441909294 891462361 /nfs/dbraw/zinc/46/23/61/891462361.db2.gz DAAQUJFPTOSFLI-SFYZADRCSA-N 0 3 291.315 -1.294 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001441872894 891462534 /nfs/dbraw/zinc/46/25/34/891462534.db2.gz KYJPMICMSAEESO-JTQLQIEISA-N 0 3 299.375 -2.399 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)NCC(=O)NCC1CC1 ZINC001441870188 891462600 /nfs/dbraw/zinc/46/26/00/891462600.db2.gz SEWZHQIKEXJETD-VIFPVBQESA-N 0 3 299.375 -1.464 20 0 CAADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)N[C@@H]1CCNC1=O ZINC001441894375 891462655 /nfs/dbraw/zinc/46/26/55/891462655.db2.gz UCRDMNRNSAAHQX-HTQZYQBOSA-N 0 3 294.311 -1.025 20 0 CAADHN C[C@@H](CNC(=O)c1cnc[n-]c1=O)[NH2+][C@@H]1CCNC1=O ZINC001441863650 891463015 /nfs/dbraw/zinc/46/30/15/891463015.db2.gz NEPIHDBUWDUFNV-IONNQARKSA-N 0 3 279.300 -1.221 20 0 CAADHN Cc1occc(=O)c1OCC(=O)NC[C@@H](C)NCC(N)=O ZINC001441904040 891463262 /nfs/dbraw/zinc/46/32/62/891463262.db2.gz GQJFLOGBBSFRNS-MRVPVSSYSA-N 0 3 297.311 -1.093 20 0 CAADHN Cc1occc(=O)c1OCC(=O)NC[C@H](C)NCC(N)=O ZINC001441904047 891463316 /nfs/dbraw/zinc/46/33/16/891463316.db2.gz GQJFLOGBBSFRNS-QMMMGPOBSA-N 0 3 297.311 -1.093 20 0 CAADHN C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CCNC(N)=O ZINC001441888646 891463343 /nfs/dbraw/zinc/46/33/43/891463343.db2.gz ZYIJZHSLRLYJFC-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CNC(=O)c1cnc[n-]c1=O)[NH2+][C@@H]1CCNC1=O ZINC001441863669 891463434 /nfs/dbraw/zinc/46/34/34/891463434.db2.gz NEPIHDBUWDUFNV-VXNVDRBHSA-N 0 3 279.300 -1.221 20 0 CAADHN Cc1cnc(C(=O)N(C)C[C@H](O)CNCC(N)=O)cn1 ZINC001441953155 891464589 /nfs/dbraw/zinc/46/45/89/891464589.db2.gz PQVGITAXDGKENW-SECBINFHSA-N 0 3 281.316 -1.707 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001441937530 891464660 /nfs/dbraw/zinc/46/46/60/891464660.db2.gz XALFTQHFQGYUKC-SECBINFHSA-N 0 3 270.333 -1.566 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)C(F)F ZINC001441944851 891464697 /nfs/dbraw/zinc/46/46/97/891464697.db2.gz ITLGMEPGSCSLLS-YUMQZZPRSA-N 0 3 279.287 -1.109 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001441953851 891464996 /nfs/dbraw/zinc/46/49/96/891464996.db2.gz QPEXXNAPFMOZPO-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001441949893 891465053 /nfs/dbraw/zinc/46/50/53/891465053.db2.gz JWVXFTLNYMWYIV-JTQLQIEISA-N 0 3 288.348 -2.380 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)NCC(=O)N(C)C1CC1 ZINC001441914885 891465091 /nfs/dbraw/zinc/46/50/91/891465091.db2.gz MSQNTMCOTDXZOY-QMMMGPOBSA-N 0 3 295.347 -1.461 20 0 CAADHN CC(=O)N(C)C[C@H](O)CNCC(=O)NC[C@@H]1CCCO1 ZINC001441933233 891465264 /nfs/dbraw/zinc/46/52/64/891465264.db2.gz KRIKQFQZWXJUKN-NEPJUHHUSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cccnc1)C(N)=O ZINC001441952953 891465773 /nfs/dbraw/zinc/46/57/73/891465773.db2.gz PEQWFVJGYSWHPN-GXSJLCMTSA-N 0 3 280.328 -1.022 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@H](C)NCCF ZINC001441918021 891465952 /nfs/dbraw/zinc/46/59/52/891465952.db2.gz JEUZEOHHKBRPAC-ZETCQYMHSA-N 0 3 270.330 -1.896 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccncc1 ZINC001441949111 891466043 /nfs/dbraw/zinc/46/60/43/891466043.db2.gz QVIZOYBBPBPKHM-LLVKDONJSA-N 0 3 280.328 -1.150 20 0 CAADHN COC[C@H](OC)C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001441949190 891466073 /nfs/dbraw/zinc/46/60/73/891466073.db2.gz YLMNTFDEKMWFPQ-SFYZADRCSA-N 0 3 290.320 -2.063 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1c[nH]c(=O)n1C ZINC001441918756 891466219 /nfs/dbraw/zinc/46/62/19/891466219.db2.gz LRMIGONEEFEDIN-YUMQZZPRSA-N 0 3 283.332 -1.032 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001441932575 891466277 /nfs/dbraw/zinc/46/62/77/891466277.db2.gz DVZMKQOEPBKUTQ-VIFPVBQESA-N 0 3 295.343 -1.044 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001441941682 891466292 /nfs/dbraw/zinc/46/62/92/891466292.db2.gz NVUJLYIYRTZNDU-JGVFFNPUSA-N 0 3 281.316 -1.258 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@H]1CCCN(C)C1=O ZINC001441936806 891466402 /nfs/dbraw/zinc/46/64/02/891466402.db2.gz NYAYPJMKBFIFKF-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCn1cncn1 ZINC001441942827 891466674 /nfs/dbraw/zinc/46/66/74/891466674.db2.gz BFLXUIDCPBISET-VIFPVBQESA-N 0 3 284.320 -2.438 20 0 CAADHN CCCCC(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001441950488 891466942 /nfs/dbraw/zinc/46/69/42/891466942.db2.gz OALJXXXLJFVKCV-SECBINFHSA-N 0 3 288.348 -1.220 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001441968266 891468085 /nfs/dbraw/zinc/46/80/85/891468085.db2.gz CRZAAFLEXYFHID-DTWKUNHWSA-N 0 3 283.332 -1.433 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CC[C@@H]1CCOC1 ZINC001441972884 891468095 /nfs/dbraw/zinc/46/80/95/891468095.db2.gz MHZWSCIIUJAVHE-GHMZBOCLSA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001441957922 891468169 /nfs/dbraw/zinc/46/81/69/891468169.db2.gz SAMLVVIYPCFBHI-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C[C@H]1CCCO1 ZINC001441970032 891468180 /nfs/dbraw/zinc/46/81/80/891468180.db2.gz WNSFKVHGIBXLIG-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1c(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)nnn1C ZINC001441962374 891468230 /nfs/dbraw/zinc/46/82/30/891468230.db2.gz UWQLPNYUEISFPW-APPZFPTMSA-N 0 3 298.347 -1.980 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccon1 ZINC001441961695 891468272 /nfs/dbraw/zinc/46/82/72/891468272.db2.gz KWEMNFSQUHCBHG-MRVPVSSYSA-N 0 3 270.289 -1.557 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cncn1C ZINC001441976507 891468530 /nfs/dbraw/zinc/46/85/30/891468530.db2.gz ARTXQBDDQTXRQA-ZJUUUORDSA-N 0 3 295.343 -1.669 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccon1 ZINC001441961699 891468546 /nfs/dbraw/zinc/46/85/46/891468546.db2.gz KWEMNFSQUHCBHG-QMMMGPOBSA-N 0 3 270.289 -1.557 20 0 CAADHN CC[C@H](OC)C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001441974373 891468583 /nfs/dbraw/zinc/46/85/83/891468583.db2.gz YYOINAMYIDJADA-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN Cc1cnccc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001441970781 891468606 /nfs/dbraw/zinc/46/86/06/891468606.db2.gz HKTCJFFIDFZQQK-SNVBAGLBSA-N 0 3 280.328 -1.102 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001441968302 891468782 /nfs/dbraw/zinc/46/87/82/891468782.db2.gz IHICZGDQELPITR-QMMMGPOBSA-N 0 3 298.347 -2.229 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CC[C@H]1CCOC1 ZINC001441972891 891468936 /nfs/dbraw/zinc/46/89/36/891468936.db2.gz MHZWSCIIUJAVHE-WDEREUQCSA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001441957926 891469199 /nfs/dbraw/zinc/46/91/99/891469199.db2.gz SAMLVVIYPCFBHI-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C1=COCCO1 ZINC001441954429 891469398 /nfs/dbraw/zinc/46/93/98/891469398.db2.gz MVCAGTAQPAPBDF-UWVGGRQHSA-N 0 3 299.327 -1.828 20 0 CAADHN Cc1ncn(C)c1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001441974805 891469419 /nfs/dbraw/zinc/46/94/19/891469419.db2.gz AGZYGBBGNQDZDP-NXEZZACHSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)c1cn[nH]c1 ZINC001441971166 891469466 /nfs/dbraw/zinc/46/94/66/891469466.db2.gz XSULZTJPBFQXTK-NSHDSACASA-N 0 3 295.343 -1.336 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001441974500 891469505 /nfs/dbraw/zinc/46/95/05/891469505.db2.gz UTOLIGSBVBTKBE-MWLCHTKSSA-N 0 3 295.343 -1.366 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cc[nH]n1)C(=O)N(C)C ZINC001441965667 891469607 /nfs/dbraw/zinc/46/96/07/891469607.db2.gz QHUGFHAPRHFSBK-NXEZZACHSA-N 0 3 297.359 -1.091 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C1=COCCC1 ZINC001441967045 891469861 /nfs/dbraw/zinc/46/98/61/891469861.db2.gz LYYXVQZJLUEAKO-VXGBXAGGSA-N 0 3 297.355 -1.022 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001441973928 891470027 /nfs/dbraw/zinc/47/00/27/891470027.db2.gz OYQWHNMVCRPOIO-IUCAKERBSA-N 0 3 297.319 -3.030 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001441975199 891470117 /nfs/dbraw/zinc/47/01/17/891470117.db2.gz ALZIXCMSVQYJMK-BDAKNGLRSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001441974503 891470185 /nfs/dbraw/zinc/47/01/85/891470185.db2.gz UTOLIGSBVBTKBE-ONGXEEELSA-N 0 3 295.343 -1.366 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCCO1 ZINC001441957919 891470247 /nfs/dbraw/zinc/47/02/47/891470247.db2.gz SAMLVVIYPCFBHI-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001441957837 891470336 /nfs/dbraw/zinc/47/03/36/891470336.db2.gz FKIRLWRORCTTAO-HTQZYQBOSA-N 0 3 295.361 -2.686 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)NCC(N)=O ZINC001441988824 891471391 /nfs/dbraw/zinc/47/13/91/891471391.db2.gz OLJNKPVMSBARCW-QMMMGPOBSA-N 0 3 272.349 -1.272 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1n[nH]c2c1CCC2 ZINC001441998618 891471590 /nfs/dbraw/zinc/47/15/90/891471590.db2.gz MLASDCJTSWAEHZ-QMMMGPOBSA-N 0 3 295.343 -1.594 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1ccccn1 ZINC001441991408 891471802 /nfs/dbraw/zinc/47/18/02/891471802.db2.gz OETKZOLLZPIATB-LBPRGKRZSA-N 0 3 294.355 -1.092 20 0 CAADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N[C@@H]1CCNC1=O ZINC001441993525 891471964 /nfs/dbraw/zinc/47/19/64/891471964.db2.gz ZGFXHJKORFPYRC-VXNVDRBHSA-N 0 3 293.327 -1.290 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001441985137 891472352 /nfs/dbraw/zinc/47/23/52/891472352.db2.gz GELHBPUZJRJOJQ-JGVFFNPUSA-N 0 3 287.320 -3.177 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)NCC(N)=O ZINC001441988819 891472590 /nfs/dbraw/zinc/47/25/90/891472590.db2.gz OLJNKPVMSBARCW-MRVPVSSYSA-N 0 3 272.349 -1.272 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCn1cnccc1=O)C(N)=O ZINC001441985127 891472630 /nfs/dbraw/zinc/47/26/30/891472630.db2.gz RDBHBYHYZNMISQ-VHSXEESVSA-N 0 3 295.343 -1.399 20 0 CAADHN C[C@H](CNC(=O)CCn1cnccc1=O)N[C@H](C)C(N)=O ZINC001441985116 891472695 /nfs/dbraw/zinc/47/26/95/891472695.db2.gz RDBHBYHYZNMISQ-NXEZZACHSA-N 0 3 295.343 -1.399 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ccncn1 ZINC001442001182 891472767 /nfs/dbraw/zinc/47/27/67/891472767.db2.gz UECKLRAAELIQHI-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001441991860 891472810 /nfs/dbraw/zinc/47/28/10/891472810.db2.gz DVFXACMSNNVKJJ-AXFHLTTASA-N 0 3 287.360 -1.304 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1)C(N)=O ZINC001441985385 891472847 /nfs/dbraw/zinc/47/28/47/891472847.db2.gz AFRGAIUKMYYBHQ-SFYZADRCSA-N 0 3 299.331 -1.978 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001441989210 891472876 /nfs/dbraw/zinc/47/28/76/891472876.db2.gz MLPCJNNZBYWLPF-RKDXNWHRSA-N 0 3 298.347 -1.730 20 0 CAADHN COC[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001441996244 891472902 /nfs/dbraw/zinc/47/29/02/891472902.db2.gz KCLGWTVHFGAPKN-BDAKNGLRSA-N 0 3 287.320 -2.166 20 0 CAADHN C[C@H](CNC(=O)CCn1cnnn1)N[C@H]1CCCNC1=O ZINC001441997767 891472993 /nfs/dbraw/zinc/47/29/93/891472993.db2.gz DCMUCFJOXNSQNG-ZJUUUORDSA-N 0 3 295.347 -1.564 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)c1cn[nH]n1 ZINC001442000616 891473011 /nfs/dbraw/zinc/47/30/11/891473011.db2.gz OFZTVQZPFIRFSL-SECBINFHSA-N 0 3 296.331 -1.894 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001441985143 891473063 /nfs/dbraw/zinc/47/30/63/891473063.db2.gz GELHBPUZJRJOJQ-SFYZADRCSA-N 0 3 287.320 -3.177 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cc1ncccc1F ZINC001441991758 891473151 /nfs/dbraw/zinc/47/31/51/891473151.db2.gz KRVYEIDJEZGVHI-SECBINFHSA-N 0 3 298.318 -1.343 20 0 CAADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N[C@H]1CCNC1=O ZINC001441993520 891473233 /nfs/dbraw/zinc/47/32/33/891473233.db2.gz ZGFXHJKORFPYRC-CBAPKCEASA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cncn1C)C(N)=O ZINC001441988369 891473377 /nfs/dbraw/zinc/47/33/77/891473377.db2.gz QBDXJMXLACMXJB-RKDXNWHRSA-N 0 3 283.332 -1.684 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1c[nH]nc1C ZINC001442001323 891473424 /nfs/dbraw/zinc/47/34/24/891473424.db2.gz YXAWLTXKTRUVDF-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN CC[C@@H](F)CNC[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001441983955 891473499 /nfs/dbraw/zinc/47/34/99/891473499.db2.gz YUDYXLZNVDJXJM-ZJUUUORDSA-N 0 3 288.327 -1.170 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1ccccn1 ZINC001441991402 891473576 /nfs/dbraw/zinc/47/35/76/891473576.db2.gz OETKZOLLZPIATB-GFCCVEGCSA-N 0 3 294.355 -1.092 20 0 CAADHN Cc1ccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)nn1 ZINC001441984068 891473591 /nfs/dbraw/zinc/47/35/91/891473591.db2.gz ZUSGQQFGOFDAIO-SECBINFHSA-N 0 3 281.316 -1.707 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1nonc1C ZINC001442030707 891475004 /nfs/dbraw/zinc/47/50/04/891475004.db2.gz IVUXIQHBODSSNN-SECBINFHSA-N 0 3 299.331 -1.925 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1nccs1 ZINC001442016700 891475030 /nfs/dbraw/zinc/47/50/30/891475030.db2.gz DRBHUZAONCGZDF-QMMMGPOBSA-N 0 3 286.357 -1.088 20 0 CAADHN Cc1nn(CC(=O)NC[C@@H](C)NCCF)c(=O)n1C ZINC001442027154 891475166 /nfs/dbraw/zinc/47/51/66/891475166.db2.gz ZHTIRPATOAKAON-MRVPVSSYSA-N 0 3 273.312 -1.046 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCNC(N)=O ZINC001442042466 891475247 /nfs/dbraw/zinc/47/52/47/891475247.db2.gz TWQRUOBVBMXQTL-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)C[C@H](O)CN[C@H]2CCNC2=O)n1 ZINC001442021682 891475261 /nfs/dbraw/zinc/47/52/61/891475261.db2.gz CGKZSWFEQXJBJJ-ZJUUUORDSA-N 0 3 295.343 -1.371 20 0 CAADHN Cc1noc(C[NH2+]C[C@H](O)CN(C)C(=O)c2ncn[n-]2)n1 ZINC001442029538 891475294 /nfs/dbraw/zinc/47/52/94/891475294.db2.gz ZOHQTAYWEHPVAM-QMMMGPOBSA-N 0 3 295.303 -1.281 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H]1CCCNC1=O ZINC001442009556 891475498 /nfs/dbraw/zinc/47/54/98/891475498.db2.gz HJACUVMLADFOEF-DTWKUNHWSA-N 0 3 280.332 -1.280 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)no1 ZINC001442044558 891475903 /nfs/dbraw/zinc/47/59/03/891475903.db2.gz QFFYEHWWZUYHSK-MRVPVSSYSA-N 0 3 284.316 -1.255 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001442046912 891476355 /nfs/dbraw/zinc/47/63/55/891476355.db2.gz DULAXFUYXISRJC-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)NCC(=O)N(C)C1CC1 ZINC001442035935 891476402 /nfs/dbraw/zinc/47/64/02/891476402.db2.gz MXHMCSIRQBYREP-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001442009323 891476460 /nfs/dbraw/zinc/47/64/60/891476460.db2.gz SFVHGNOIVOBMDG-HRDYMLBCSA-N 0 3 286.332 -1.754 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001442031907 891476675 /nfs/dbraw/zinc/47/66/75/891476675.db2.gz POXFYBZSFIBYCL-QMMMGPOBSA-N 0 3 281.316 -1.766 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001442036900 891476739 /nfs/dbraw/zinc/47/67/39/891476739.db2.gz WRTRDZKWECMRMF-SECBINFHSA-N 0 3 298.347 -2.026 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCNC(N)=O ZINC001442042471 891476845 /nfs/dbraw/zinc/47/68/45/891476845.db2.gz TWQRUOBVBMXQTL-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H]1CCCNC1=O ZINC001442010291 891477014 /nfs/dbraw/zinc/47/70/14/891477014.db2.gz HJACUVMLADFOEF-IUCAKERBSA-N 0 3 280.332 -1.280 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001442024626 891477134 /nfs/dbraw/zinc/47/71/34/891477134.db2.gz RXCNBEYRWKVCNB-MRVPVSSYSA-N 0 3 284.320 -2.037 20 0 CAADHN CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001442024626 891477138 /nfs/dbraw/zinc/47/71/38/891477138.db2.gz RXCNBEYRWKVCNB-MRVPVSSYSA-N 0 3 284.320 -2.037 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1ccnnc1)C(N)=O ZINC001442010829 891477148 /nfs/dbraw/zinc/47/71/48/891477148.db2.gz DPRLQUHIVQLIMR-MNOVXSKESA-N 0 3 295.343 -1.237 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccnnc1)C(N)=O ZINC001442010824 891477186 /nfs/dbraw/zinc/47/71/86/891477186.db2.gz DPRLQUHIVQLIMR-GHMZBOCLSA-N 0 3 295.343 -1.237 20 0 CAADHN CN(C[C@H](O)CNCc1ccnn1C)C(=O)c1nc[nH]n1 ZINC001442027221 891477282 /nfs/dbraw/zinc/47/72/82/891477282.db2.gz WMFQSBYDTLORJH-SNVBAGLBSA-N 0 3 293.331 -1.239 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001442024631 891477291 /nfs/dbraw/zinc/47/72/91/891477291.db2.gz RXCNBEYRWKVCNB-QMMMGPOBSA-N 0 3 284.320 -2.037 20 0 CAADHN CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001442024631 891477295 /nfs/dbraw/zinc/47/72/95/891477295.db2.gz RXCNBEYRWKVCNB-QMMMGPOBSA-N 0 3 284.320 -2.037 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)C[C@@H](O)CN[C@H]2CCNC2=O)n1 ZINC001442021676 891477320 /nfs/dbraw/zinc/47/73/20/891477320.db2.gz CGKZSWFEQXJBJJ-UWVGGRQHSA-N 0 3 295.343 -1.371 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001442031901 891477328 /nfs/dbraw/zinc/47/73/28/891477328.db2.gz POXFYBZSFIBYCL-MRVPVSSYSA-N 0 3 281.316 -1.766 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1cn(C)nn1 ZINC001442055083 891478254 /nfs/dbraw/zinc/47/82/54/891478254.db2.gz GQSLQXWLDSYWTA-SNVBAGLBSA-N 0 3 298.347 -2.358 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)Cn1ccnc1 ZINC001442055186 891478520 /nfs/dbraw/zinc/47/85/20/891478520.db2.gz HDWGVMXPKHOJIA-WDEREUQCSA-N 0 3 295.343 -1.820 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cn(C)c(=O)n1C ZINC001442065953 891479519 /nfs/dbraw/zinc/47/95/19/891479519.db2.gz WEROIIZRCCITGY-QMMMGPOBSA-N 0 3 299.331 -2.768 20 0 CAADHN C[C@@H](CNC(=O)CCN1CCCC1=O)N[C@H]1CCNC1=O ZINC001442050250 891479759 /nfs/dbraw/zinc/47/97/59/891479759.db2.gz OPDAYHRBHUSWCP-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001442078306 891480245 /nfs/dbraw/zinc/48/02/45/891480245.db2.gz YYURTQVZRVRMDM-VIFPVBQESA-N 0 3 271.321 -1.828 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001442048562 891480395 /nfs/dbraw/zinc/48/03/95/891480395.db2.gz GAMXNUGMFUFZJE-VHSXEESVSA-N 0 3 273.333 -1.992 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001442082032 891480648 /nfs/dbraw/zinc/48/06/48/891480648.db2.gz MCSWVECYPOWFAL-LLVKDONJSA-N 0 3 297.355 -1.258 20 0 CAADHN C[C@H](CNC(=O)Cc1nc(C2CC2)nn1C)NCC(N)=O ZINC001442053403 891481084 /nfs/dbraw/zinc/48/10/84/891481084.db2.gz QQXAWJAAPSRDEB-MRVPVSSYSA-N 0 3 294.359 -1.185 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001442085178 891481240 /nfs/dbraw/zinc/48/12/40/891481240.db2.gz VQYNZWBXDFVBQS-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCCC(N)=O ZINC001442064288 891481342 /nfs/dbraw/zinc/48/13/42/891481342.db2.gz BWZNGYNOINDJRK-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)Cn1ccnc1 ZINC001442055185 891481429 /nfs/dbraw/zinc/48/14/29/891481429.db2.gz HDWGVMXPKHOJIA-QWRGUYRKSA-N 0 3 295.343 -1.820 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CS(=O)(=O)C(C)C ZINC001442048748 891481486 /nfs/dbraw/zinc/48/14/86/891481486.db2.gz NICJCIRBLHRSFD-SECBINFHSA-N 0 3 293.389 -1.350 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001442152331 891482669 /nfs/dbraw/zinc/48/26/69/891482669.db2.gz LATLMAMAIMSARH-HTQZYQBOSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)c1nnn(C)n1)C(C)(C)C)C(N)=O ZINC001442166408 891483387 /nfs/dbraw/zinc/48/33/87/891483387.db2.gz FVHRMGWAMJIONW-SFYZADRCSA-N 0 3 297.363 -1.182 20 0 CAADHN COCCN(CCNC(=O)[C@H]1CCC(=O)N1)C[C@@H](C)O ZINC001442169988 891483582 /nfs/dbraw/zinc/48/35/82/891483582.db2.gz DQGWRDOBAZWALW-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN COc1ccc(C(=O)N(C)C[C@H](O)CN(C)CCO)nn1 ZINC001442095357 891483729 /nfs/dbraw/zinc/48/37/29/891483729.db2.gz OMUPMCORNNBVOD-SNVBAGLBSA-N 0 3 298.343 -1.158 20 0 CAADHN COCCN(CCNC(=O)c1ncn[nH]1)[C@H](C)C(N)=O ZINC001442194621 891483887 /nfs/dbraw/zinc/48/38/87/891483887.db2.gz FUEYGTJDTDQKMX-MRVPVSSYSA-N 0 3 284.320 -1.643 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001442152343 891484466 /nfs/dbraw/zinc/48/44/66/891484466.db2.gz LATLMAMAIMSARH-SFYZADRCSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CN1CCOCC1=O ZINC001442419753 891495825 /nfs/dbraw/zinc/49/58/25/891495825.db2.gz VVFWWVKDDHUFTR-JTQLQIEISA-N 0 3 273.333 -1.726 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)c1ncn[nH]1 ZINC001442549480 891501155 /nfs/dbraw/zinc/50/11/55/891501155.db2.gz LMVUREJVYIHLJF-ZETCQYMHSA-N 0 3 297.319 -1.690 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N(C)CCNC(=O)c1nc[nH]n1 ZINC001442549480 891501163 /nfs/dbraw/zinc/50/11/63/891501163.db2.gz LMVUREJVYIHLJF-ZETCQYMHSA-N 0 3 297.319 -1.690 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)O1 ZINC001442673853 891502938 /nfs/dbraw/zinc/50/29/38/891502938.db2.gz WNOMGLDVOLXZDY-WHOHXGKFSA-N 0 3 297.355 -1.001 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H]1CNC(=O)Cn1ncnn1 ZINC001442799244 891508021 /nfs/dbraw/zinc/50/80/21/891508021.db2.gz WFOJQPGMEJCVTK-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN NC(=O)c1ncn(CC(=O)NC[C@H]2CCCN2CCO)n1 ZINC001442781082 891508503 /nfs/dbraw/zinc/50/85/03/891508503.db2.gz HLYHIMWSWVVBFY-SECBINFHSA-N 0 3 296.331 -2.050 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001443082295 891514215 /nfs/dbraw/zinc/51/42/15/891514215.db2.gz UBPWPNLLSQDACX-LPEHRKFASA-N 0 3 298.343 -2.044 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CN1CCCC1=O ZINC001443059947 891514234 /nfs/dbraw/zinc/51/42/34/891514234.db2.gz CEDAXVAYXOZVQU-JTQLQIEISA-N 0 3 282.344 -1.455 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001443078724 891514847 /nfs/dbraw/zinc/51/48/47/891514847.db2.gz GHWVBEPPJCPKKU-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCNC(N)=O)C(=O)N(C)C ZINC001443088241 891514998 /nfs/dbraw/zinc/51/49/98/891514998.db2.gz FMBOMVDAJJUQIT-VIFPVBQESA-N 0 3 287.364 -1.431 20 0 CAADHN COc1cc(C(=O)N(C)CCN[C@H]2CCNC2=O)nn1C ZINC001443083117 891515127 /nfs/dbraw/zinc/51/51/27/891515127.db2.gz NJCXAIGLHBITGQ-VIFPVBQESA-N 0 3 295.343 -1.021 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001443075289 891515195 /nfs/dbraw/zinc/51/51/95/891515195.db2.gz CORQKFTZUBFHOB-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CN1CCOCC1)C(N)=O ZINC001443084452 891515245 /nfs/dbraw/zinc/51/52/45/891515245.db2.gz RMRCFLAZUVHSQE-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN COCCN(CCNC(=O)Cn1ncn(C)c1=O)C1CC1 ZINC001443010613 891515411 /nfs/dbraw/zinc/51/54/11/891515411.db2.gz JPLBZGSQVAFLFH-UHFFFAOYSA-N 0 3 297.359 -1.191 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1nccnc1N ZINC001443096879 891515513 /nfs/dbraw/zinc/51/55/13/891515513.db2.gz HAJBVDYIZKDMKV-MRVPVSSYSA-N 0 3 278.316 -1.391 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CN1CCCC1=O ZINC001443059950 891516149 /nfs/dbraw/zinc/51/61/49/891516149.db2.gz CEDAXVAYXOZVQU-SNVBAGLBSA-N 0 3 282.344 -1.455 20 0 CAADHN C[C@H](CC(=O)N(C)CCN[C@@H]1CCN(C)C1=O)NC(N)=O ZINC001443075653 891515896 /nfs/dbraw/zinc/51/58/96/891515896.db2.gz BQSGRJYOSXFYKO-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001443075288 891516018 /nfs/dbraw/zinc/51/60/18/891516018.db2.gz CORQKFTZUBFHOB-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@H](NCCN(C)C(=O)C[C@@H]1CCC(=O)N1)C(N)=O ZINC001443078723 891516216 /nfs/dbraw/zinc/51/62/16/891516216.db2.gz LTCFGQSUKDLUMA-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001443060307 891516357 /nfs/dbraw/zinc/51/63/57/891516357.db2.gz CRXAZMPEPQLIHA-VIFPVBQESA-N 0 3 281.320 -2.048 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCN[C@H]2CCCNC2=O)C1 ZINC001443083590 891516408 /nfs/dbraw/zinc/51/64/08/891516408.db2.gz PZYQJYRUCUEPQL-LBPRGKRZSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCNC(N)=O)C(=O)N(C)C ZINC001443088166 891516417 /nfs/dbraw/zinc/51/64/17/891516417.db2.gz FMBOMVDAJJUQIT-SECBINFHSA-N 0 3 287.364 -1.431 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001443077980 891516501 /nfs/dbraw/zinc/51/65/01/891516501.db2.gz MAWGCRMLFWJGJP-SECBINFHSA-N 0 3 291.373 -1.657 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCN[C@@H]2CCCNC2=O)C1 ZINC001443083588 891516516 /nfs/dbraw/zinc/51/65/16/891516516.db2.gz PZYQJYRUCUEPQL-GFCCVEGCSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001443071236 891516535 /nfs/dbraw/zinc/51/65/35/891516535.db2.gz GGSXSHVGYWXSJN-SNVBAGLBSA-N 0 3 270.333 -1.551 20 0 CAADHN CNS(=O)(=O)CCC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001443080325 891516542 /nfs/dbraw/zinc/51/65/42/891516542.db2.gz JGUXKWFSHXOOJH-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@H](CC(=O)N(C)CCN[C@H]1CCN(C)C1=O)NC(N)=O ZINC001443075662 891516564 /nfs/dbraw/zinc/51/65/64/891516564.db2.gz BQSGRJYOSXFYKO-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1CCC(=O)NC1)C(N)=O ZINC001443075753 891516659 /nfs/dbraw/zinc/51/66/59/891516659.db2.gz AIDAAEQTKQEASG-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1ccc(=O)[nH]n1 ZINC001443072225 891516706 /nfs/dbraw/zinc/51/67/06/891516706.db2.gz ICQSDJDJUSEFGT-QMMMGPOBSA-N 0 3 279.300 -1.268 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)CNC(=O)NC)C1 ZINC001443265263 891518128 /nfs/dbraw/zinc/51/81/28/891518128.db2.gz ZTCFDPSPQUQNGI-SNVBAGLBSA-N 0 3 299.375 -1.510 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001443104985 891518329 /nfs/dbraw/zinc/51/83/29/891518329.db2.gz QDXPOZSVEVLUES-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001443103719 891518364 /nfs/dbraw/zinc/51/83/64/891518364.db2.gz SOMYKFFYGZLWML-QMMMGPOBSA-N 0 3 283.332 -1.741 20 0 CAADHN CC[C@H](NCCN(C)C(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001443100279 891518421 /nfs/dbraw/zinc/51/84/21/891518421.db2.gz MHJGHCANVPKMIZ-VIFPVBQESA-N 0 3 297.359 -1.351 20 0 CAADHN NC(=O)CN(CC(N)=O)C(=O)[C@@H]1CC[C@@H]2CCCCN21 ZINC001443295951 891518453 /nfs/dbraw/zinc/51/84/53/891518453.db2.gz VEMHQNDLGIYJBH-UWVGGRQHSA-N 0 3 282.344 -1.198 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001443104981 891518480 /nfs/dbraw/zinc/51/84/80/891518480.db2.gz QDXPOZSVEVLUES-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN1CCO[C@H](C(=O)N(C)CCN[C@@H]2CCNC2=O)C1 ZINC001443102729 891518651 /nfs/dbraw/zinc/51/86/51/891518651.db2.gz QFJLESPARBHOJV-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN NC(=O)CN(CC(N)=O)C(=O)[C@H]1CC[C@H]2CCCCN21 ZINC001443295948 891519021 /nfs/dbraw/zinc/51/90/21/891519021.db2.gz VEMHQNDLGIYJBH-NXEZZACHSA-N 0 3 282.344 -1.198 20 0 CAADHN NC(=O)CN(CC(N)=O)C(=O)[C@H]1CC[C@@H]2CCCCN12 ZINC001443298310 891519035 /nfs/dbraw/zinc/51/90/35/891519035.db2.gz VEMHQNDLGIYJBH-VHSXEESVSA-N 0 3 282.344 -1.198 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCn1cnnn1)C(=O)N(C)C ZINC001443098633 891519102 /nfs/dbraw/zinc/51/91/02/891519102.db2.gz RAKANFONXOAILU-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001443225195 891519529 /nfs/dbraw/zinc/51/95/29/891519529.db2.gz WJRJQDUKPKCZHX-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)C1(C(=O)NC2CN(CC(=O)NC(N)=O)C2)CCC1 ZINC001443483537 891528790 /nfs/dbraw/zinc/52/87/90/891528790.db2.gz SAHJFILRZLVBKF-UHFFFAOYSA-N 0 3 297.359 -1.534 20 0 CAADHN O=C(CN1CCOCC1)NCC1CN(CCCO)C1 ZINC001443574006 891531281 /nfs/dbraw/zinc/53/12/81/891531281.db2.gz CJYJODCIYZDTRO-UHFFFAOYSA-N 0 3 271.361 -1.251 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001443595318 891533388 /nfs/dbraw/zinc/53/33/88/891533388.db2.gz BJOCDKNTBKRESQ-JTQLQIEISA-N 0 3 284.360 -2.153 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001443595359 891534090 /nfs/dbraw/zinc/53/40/90/891534090.db2.gz BQKIWNSVZLCBAI-KOLCDFICSA-N 0 3 287.360 -1.447 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001443613098 891536427 /nfs/dbraw/zinc/53/64/27/891536427.db2.gz DCUWZLKENHLUTI-NEPJUHHUSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001443807316 891538676 /nfs/dbraw/zinc/53/86/76/891538676.db2.gz OSPVNTKERYGMCI-GHMZBOCLSA-N 0 3 297.359 -1.031 20 0 CAADHN CC[C@@H](CNC(=O)CCc1nnc[n-]1)[NH2+]CC(=O)NC ZINC001443910745 891541302 /nfs/dbraw/zinc/54/13/02/891541302.db2.gz NVZSHNFQTQNMPU-VIFPVBQESA-N 0 3 282.348 -1.032 20 0 CAADHN CC[C@H](CNC(=O)CCS(C)(=O)=O)N[C@H](C)C(N)=O ZINC001443956901 891541543 /nfs/dbraw/zinc/54/15/43/891541543.db2.gz QESSACIMXZUZHA-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](C)NC(C)=O)NCC(=O)NC ZINC001443887650 891541633 /nfs/dbraw/zinc/54/16/33/891541633.db2.gz LYQRZKDXOXJWPS-PSASIEDQSA-N 0 3 272.349 -1.259 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)NC ZINC001443932265 891542217 /nfs/dbraw/zinc/54/22/17/891542217.db2.gz IXNIFOXFTWSGOT-JGVFFNPUSA-N 0 3 272.305 -1.675 20 0 CAADHN CC[C@@H](CNC(=O)CCS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001443956895 891542503 /nfs/dbraw/zinc/54/25/03/891542503.db2.gz QESSACIMXZUZHA-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCNC(=O)C1)NCC(=O)NC ZINC001443958707 891543233 /nfs/dbraw/zinc/54/32/33/891543233.db2.gz FKFHEBUJKUWHAX-JTQLQIEISA-N 0 3 299.375 -2.351 20 0 CAADHN CC[C@@H](CNC(=O)c1ccnn1C)NCC(=O)NC(N)=O ZINC001443914747 891543317 /nfs/dbraw/zinc/54/33/17/891543317.db2.gz WFFSZOLTUKMSHL-QMMMGPOBSA-N 0 3 296.331 -1.287 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@H](CC)NCC(N)=O ZINC001443949111 891543508 /nfs/dbraw/zinc/54/35/08/891543508.db2.gz ZOCFVDOUOXKRRX-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)N[C@H](C)C(=O)N(C)C ZINC001443917395 891543576 /nfs/dbraw/zinc/54/35/76/891543576.db2.gz OHAHCBHNRWTYDW-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@H](CNC(=O)c1ccnn1C)NCC(=O)NC(N)=O ZINC001443914737 891543746 /nfs/dbraw/zinc/54/37/46/891543746.db2.gz WFFSZOLTUKMSHL-MRVPVSSYSA-N 0 3 296.331 -1.287 20 0 CAADHN CC[C@H](CNC(=O)c1cncnc1)NCC(=O)NC(N)=O ZINC001443921890 891543797 /nfs/dbraw/zinc/54/37/97/891543797.db2.gz FEISNPAXOCFIAV-SECBINFHSA-N 0 3 294.315 -1.231 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)NCC(=O)NC ZINC001443939547 891543816 /nfs/dbraw/zinc/54/38/16/891543816.db2.gz ZUSTXHRMDWXWQR-QMMMGPOBSA-N 0 3 273.337 -1.854 20 0 CAADHN CC[C@@H](CNC(=O)Cc1ccon1)NCC(=O)NC(N)=O ZINC001443907450 891543962 /nfs/dbraw/zinc/54/39/62/891543962.db2.gz YPUHROKXKKLJSZ-QMMMGPOBSA-N 0 3 297.315 -1.104 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)NCC(N)=O ZINC001443981134 891545047 /nfs/dbraw/zinc/54/50/47/891545047.db2.gz QRDXVKAQVBOHBW-UWVGGRQHSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)NCC(N)=O ZINC001444035718 891545318 /nfs/dbraw/zinc/54/53/18/891545318.db2.gz RFFHVQMZURHBTH-DTWKUNHWSA-N 0 3 291.373 -1.467 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NCC(=O)NC(N)=O ZINC001443978022 891545584 /nfs/dbraw/zinc/54/55/84/891545584.db2.gz YXITVAVNSWNCBM-WYOJIJJFSA-N 0 3 298.343 -1.442 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N[C@@H](C)C(N)=O ZINC001444043509 891546466 /nfs/dbraw/zinc/54/64/66/891546466.db2.gz SAXOTKCQKOLMNP-IUCAKERBSA-N 0 3 297.359 -1.304 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)NCC(N)=O ZINC001443981141 891546501 /nfs/dbraw/zinc/54/65/01/891546501.db2.gz QRDXVKAQVBOHBW-ZJUUUORDSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@H](CNC(=O)c1cn(C)c(=O)n1C)N[C@@H](C)C(N)=O ZINC001444043503 891546523 /nfs/dbraw/zinc/54/65/23/891546523.db2.gz SAXOTKCQKOLMNP-DTWKUNHWSA-N 0 3 297.359 -1.304 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NCC(=O)NC(N)=O ZINC001443978018 891546534 /nfs/dbraw/zinc/54/65/34/891546534.db2.gz YXITVAVNSWNCBM-REIXXSIJSA-N 0 3 298.343 -1.442 20 0 CAADHN CC[C@H](CNC(=O)c1cn(C)c(=O)n1C)N[C@H](C)C(N)=O ZINC001444043514 891546744 /nfs/dbraw/zinc/54/67/44/891546744.db2.gz SAXOTKCQKOLMNP-RKDXNWHRSA-N 0 3 297.359 -1.304 20 0 CAADHN CC[C@H](CNC(=O)CCNC(N)=O)N[C@@H](C)C(=O)NC ZINC001444042273 891546874 /nfs/dbraw/zinc/54/68/74/891546874.db2.gz ZFNYDRSQPUJDPG-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@H](C(=O)N[C@H](CO)CNC(=O)COC)N(C)C ZINC001444060018 891547928 /nfs/dbraw/zinc/54/79/28/891547928.db2.gz LSWWHCLLTATDMF-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN COCC(=O)NC[C@@H](CO)NC(=O)[C@@H](C(C)C)N(C)C ZINC001444062864 891550602 /nfs/dbraw/zinc/55/06/02/891550602.db2.gz QIWRGWWLLGPUBG-CMPLNLGQSA-N 0 3 289.376 -1.188 20 0 CAADHN COCC(=O)NC[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C ZINC001444062991 891552519 /nfs/dbraw/zinc/55/25/19/891552519.db2.gz QIWRGWWLLGPUBG-PWSUYJOCSA-N 0 3 289.376 -1.188 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)CNC(C)=O)C1CC1 ZINC001444095998 891553761 /nfs/dbraw/zinc/55/37/61/891553761.db2.gz WMORWGRZGKIHRM-ZDUSSCGKSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001444101994 891555598 /nfs/dbraw/zinc/55/55/98/891555598.db2.gz LHNQLWZSQLJSAV-SDBXPKJASA-N 0 3 299.375 -1.336 20 0 CAADHN C[C@@](C[NH2+]CC(N)=O)(NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001444123142 891558410 /nfs/dbraw/zinc/55/84/10/891558410.db2.gz AHHWJHFDTMNQQC-LBPRGKRZSA-N 0 3 280.332 -1.293 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N(C)CCN(C)CCCO ZINC001445073721 891592707 /nfs/dbraw/zinc/59/27/07/891592707.db2.gz ZRTMGALSGAGOJN-UHFFFAOYSA-N 0 3 295.405 -1.350 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)c1ccn[nH]1 ZINC001444226248 891564031 /nfs/dbraw/zinc/56/40/31/891564031.db2.gz NFZQDZCZUIXZHC-JTQLQIEISA-N 0 3 297.359 -1.043 20 0 CAADHN C[C@H](CNCc1nccn1C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001444385884 891572671 /nfs/dbraw/zinc/57/26/71/891572671.db2.gz QJNMVJLTUQWSJY-NXEZZACHSA-N 0 3 294.359 -1.057 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001444389395 891573243 /nfs/dbraw/zinc/57/32/43/891573243.db2.gz MZUFFLWVFWLTRY-NXEZZACHSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2COC(=O)N2)CCCC1 ZINC001444510761 891577565 /nfs/dbraw/zinc/57/75/65/891577565.db2.gz SRFDYQQBRVPKFQ-VIFPVBQESA-N 0 3 298.343 -1.141 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CNC(=O)N2)CCCC1 ZINC001444517521 891579261 /nfs/dbraw/zinc/57/92/61/891579261.db2.gz DKIGUCHHMXWZTC-VIFPVBQESA-N 0 3 297.359 -1.568 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001444577784 891580315 /nfs/dbraw/zinc/58/03/15/891580315.db2.gz FFENLSPRFPFVNI-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCCO1 ZINC001444579063 891581839 /nfs/dbraw/zinc/58/18/39/891581839.db2.gz SVCNTNHPQSICCV-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H](C)NC(C)=O ZINC001444572041 891581857 /nfs/dbraw/zinc/58/18/57/891581857.db2.gz LFJCAPZXNNGGOF-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](C)CN[C@@H]1CCCNC1=O ZINC001444569339 891582030 /nfs/dbraw/zinc/58/20/30/891582030.db2.gz OHDBPSPMRQKJQD-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C)NC(C)=O ZINC001444572019 891582094 /nfs/dbraw/zinc/58/20/94/891582094.db2.gz LFJCAPZXNNGGOF-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H](C)NC(C)=O ZINC001444572027 891582153 /nfs/dbraw/zinc/58/21/53/891582153.db2.gz LFJCAPZXNNGGOF-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[n-]1)N(C)C(=O)CC[NH+](C)C ZINC001444664973 891583683 /nfs/dbraw/zinc/58/36/83/891583683.db2.gz KQZHQFXUMOBWEQ-SNVBAGLBSA-N 0 3 298.391 -1.003 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001444640319 891583970 /nfs/dbraw/zinc/58/39/70/891583970.db2.gz RVJWMNFXSAWJNP-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccc2nnnn2c1 ZINC001444635265 891584567 /nfs/dbraw/zinc/58/45/67/891584567.db2.gz OCSNQPFSLQLPPS-QMMMGPOBSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@H](NC[C@H](C)N(C)C(=O)c1nccnc1N)C(N)=O ZINC001444606704 891584656 /nfs/dbraw/zinc/58/46/56/891584656.db2.gz SHUHEYAVSCENHU-YUMQZZPRSA-N 0 3 280.332 -1.017 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001444656343 891584718 /nfs/dbraw/zinc/58/47/18/891584718.db2.gz QGQOTODBTHPXOQ-HTQZYQBOSA-N 0 3 271.321 -2.068 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001444655389 891585231 /nfs/dbraw/zinc/58/52/31/891585231.db2.gz XUIMXJQVDWZOHA-BDAKNGLRSA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001444626108 891585588 /nfs/dbraw/zinc/58/55/88/891585588.db2.gz LXWOATFOGONZAF-YUMQZZPRSA-N 0 3 291.373 -1.659 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cnn(C)n1 ZINC001444688352 891586681 /nfs/dbraw/zinc/58/66/81/891586681.db2.gz NJUAADOWULZRAB-ZETCQYMHSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001444719432 891586905 /nfs/dbraw/zinc/58/69/05/891586905.db2.gz KRUFZNHAPJEZMU-MRVPVSSYSA-N 0 3 283.332 -1.741 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)[C@@H](C)CN[C@H](C)C(N)=O ZINC001444732370 891587070 /nfs/dbraw/zinc/58/70/70/891587070.db2.gz XFBRFKUOWILWOT-JGVFFNPUSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCCC(N)=O ZINC001444730575 891587177 /nfs/dbraw/zinc/58/71/77/891587177.db2.gz RNRPLHPQOANHSC-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCCC(N)=O ZINC001444730566 891587769 /nfs/dbraw/zinc/58/77/69/891587769.db2.gz RNRPLHPQOANHSC-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001444698330 891587823 /nfs/dbraw/zinc/58/78/23/891587823.db2.gz KUZMZSAKIZTGLV-ONGXEEELSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001444731770 891587855 /nfs/dbraw/zinc/58/78/55/891587855.db2.gz CPXPYAXSMPLMPN-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001444702159 891588310 /nfs/dbraw/zinc/58/83/10/891588310.db2.gz VUBBHYOYHLMLJU-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNCC(N)=O ZINC001444820346 891589520 /nfs/dbraw/zinc/58/95/20/891589520.db2.gz PSMBUZVXOVVFAR-GXSJLCMTSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)C[C@H](C[NH2+]CC(N)=O)NC(=O)Cc1nnc[n-]1 ZINC001444757535 891589708 /nfs/dbraw/zinc/58/97/08/891589708.db2.gz JXSCLYDCFNQHIX-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN CC(C)[C@@H](CNC(=O)CN1CCOCC1)NCC(N)=O ZINC001444854141 891590022 /nfs/dbraw/zinc/59/00/22/891590022.db2.gz DCXSUVXSXHJDHE-LLVKDONJSA-N 0 3 286.376 -1.466 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1cnn(C)n1)C(C)C ZINC001444911821 891590406 /nfs/dbraw/zinc/59/04/06/891590406.db2.gz JJOCEVBQYQWPIR-SECBINFHSA-N 0 3 282.348 -1.095 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(N)=O ZINC001444820361 891590466 /nfs/dbraw/zinc/59/04/66/891590466.db2.gz PSMBUZVXOVVFAR-ONGXEEELSA-N 0 3 284.360 -1.176 20 0 CAADHN COCC(=O)N[C@H](CNCC(=O)NC(N)=O)CC(C)C ZINC001444739077 891590502 /nfs/dbraw/zinc/59/05/02/891590502.db2.gz MBQWKACMGWTSAA-VIFPVBQESA-N 0 3 288.348 -1.052 20 0 CAADHN C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNCC(N)=O ZINC001444826944 891590816 /nfs/dbraw/zinc/59/08/16/891590816.db2.gz KTUNFXRCQOARQJ-VHSXEESVSA-N 0 3 295.347 -1.625 20 0 CAADHN CNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001444762378 891591174 /nfs/dbraw/zinc/59/11/74/891591174.db2.gz PSQSLCBNWZBAJP-MXWKQRLJSA-N 0 3 298.387 -1.026 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)Cn1ncnn1)C(C)C ZINC001444879904 891591262 /nfs/dbraw/zinc/59/12/62/891591262.db2.gz YJKGWSRVFVXTKT-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN CC(C)[C@@H](CNC(=O)c1ncn[nH]1)NCc1nnnn1C ZINC001444920485 891591597 /nfs/dbraw/zinc/59/15/97/891591597.db2.gz KBOLFHSZGNVEKX-MRVPVSSYSA-N 0 3 293.335 -1.128 20 0 CAADHN CC(C)[C@@H](CNC(=O)c1nc[nH]n1)NCc1nnnn1C ZINC001444920485 891591607 /nfs/dbraw/zinc/59/16/07/891591607.db2.gz KBOLFHSZGNVEKX-MRVPVSSYSA-N 0 3 293.335 -1.128 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N(C)CCN(C)CCO)C(N)=O ZINC001445042437 891592511 /nfs/dbraw/zinc/59/25/11/891592511.db2.gz JDUWEGGVDJXHEW-JTQLQIEISA-N 0 3 288.348 -2.251 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001445034364 891592843 /nfs/dbraw/zinc/59/28/43/891592843.db2.gz PFQMIHCDGDCSSR-GARJFASQSA-N 0 3 287.360 -1.210 20 0 CAADHN COCCN(C)CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001444992490 891595579 /nfs/dbraw/zinc/59/55/79/891595579.db2.gz ZCPXUQYLPAZABK-UHFFFAOYSA-N 0 3 298.347 -1.586 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)CC1CC1 ZINC001445115479 891597078 /nfs/dbraw/zinc/59/70/78/891597078.db2.gz HDARIGSUKQZSDJ-VIFPVBQESA-N 0 3 286.332 -1.691 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1C ZINC001445131561 891597235 /nfs/dbraw/zinc/59/72/35/891597235.db2.gz JFHZIZAAFKGAKV-QWRGUYRKSA-N 0 3 294.355 -1.098 20 0 CAADHN CCC(=O)NC[C@@H](O)CNCC(=O)NC[C@@H]1CCCO1 ZINC001445121276 891597400 /nfs/dbraw/zinc/59/74/00/891597400.db2.gz WYKGNGZEWCYSOL-QWRGUYRKSA-N 0 3 287.360 -1.242 20 0 CAADHN CC(C)OCC(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001445128363 891597841 /nfs/dbraw/zinc/59/78/41/891597841.db2.gz DKDHYRZSVDSIIG-MNOVXSKESA-N 0 3 287.360 -1.243 20 0 CAADHN CCC(=O)NC[C@H](O)CNCC(=O)NC[C@H]1CCCO1 ZINC001445121268 891597983 /nfs/dbraw/zinc/59/79/83/891597983.db2.gz WYKGNGZEWCYSOL-GHMZBOCLSA-N 0 3 287.360 -1.242 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C1CCOCC1 ZINC001445114719 891598282 /nfs/dbraw/zinc/59/82/82/891598282.db2.gz FLESPTUAZXJVMP-ONGXEEELSA-N 0 3 287.360 -1.386 20 0 CAADHN CC(F)(F)C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001445112788 891598382 /nfs/dbraw/zinc/59/83/82/891598382.db2.gz CNKPWQQSPLMPDC-MRVPVSSYSA-N 0 3 279.287 -1.013 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1C ZINC001445129403 891598406 /nfs/dbraw/zinc/59/84/06/891598406.db2.gz HETOROLUZMWEIL-VHSXEESVSA-N 0 3 282.344 -1.112 20 0 CAADHN C[C@H]1CN(C(=O)CNC[C@@H](O)CNC(=O)C2CC2)CCO1 ZINC001445112797 891598453 /nfs/dbraw/zinc/59/84/53/891598453.db2.gz COINABHPUDUYQU-CMPLNLGQSA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)C1=COCCO1)C(N)=O ZINC001445129595 891598623 /nfs/dbraw/zinc/59/86/23/891598623.db2.gz DKRODWHBMTYLOO-DTWKUNHWSA-N 0 3 287.316 -1.795 20 0 CAADHN O=C(CCn1cccn1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001445125327 891598671 /nfs/dbraw/zinc/59/86/71/891598671.db2.gz AGLMVUSRXVHBKR-WDEREUQCSA-N 0 3 295.343 -1.772 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1C ZINC001445131549 891598869 /nfs/dbraw/zinc/59/88/69/891598869.db2.gz JFHZIZAAFKGAKV-GHMZBOCLSA-N 0 3 294.355 -1.098 20 0 CAADHN CC(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC(=O)NC(C)C ZINC001445108427 891599319 /nfs/dbraw/zinc/59/93/19/891599319.db2.gz JGURIYFZZCWNDW-SCZZXKLOSA-N 0 3 288.348 -1.304 20 0 CAADHN CC(F)(F)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001445113188 891599896 /nfs/dbraw/zinc/59/98/96/891599896.db2.gz DSQCCBHEMDVJHG-YFKPBYRVSA-N 0 3 282.247 -2.097 20 0 CAADHN C[C@@H]1CN(C(=O)CNC[C@H](O)CNC(=O)C2CC2)CCO1 ZINC001445112805 891600048 /nfs/dbraw/zinc/60/00/48/891600048.db2.gz COINABHPUDUYQU-PWSUYJOCSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@@H]1CN(C(=O)CNC[C@@H](O)CNC(=O)C2CC2)CCO1 ZINC001445112808 891600120 /nfs/dbraw/zinc/60/01/20/891600120.db2.gz COINABHPUDUYQU-ZYHUDNBSSA-N 0 3 299.371 -1.290 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCc1cccc(C(N)=O)c1 ZINC001445117177 891600174 /nfs/dbraw/zinc/60/01/74/891600174.db2.gz RDPLBMRIJJSHTM-LBPRGKRZSA-N 0 3 295.339 -1.001 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCOC1)N1CCC1 ZINC001445131687 891601415 /nfs/dbraw/zinc/60/14/15/891601415.db2.gz HKHSIMYSWWSORV-MNOVXSKESA-N 0 3 285.344 -1.678 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCn1cccn1 ZINC001445139065 891601511 /nfs/dbraw/zinc/60/15/11/891601511.db2.gz OINWVPPHOSGVQQ-SNVBAGLBSA-N 0 3 283.332 -1.914 20 0 CAADHN O=C(NC[C@@H](O)C[NH2+][C@H]1CCNC1=O)c1ccccc1[O-] ZINC001445134293 891601537 /nfs/dbraw/zinc/60/15/37/891601537.db2.gz KEVZNLBBWWOQAP-ONGXEEELSA-N 0 3 293.323 -1.039 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)[C@H]2CCCO2)n[nH]1 ZINC001445142071 891601684 /nfs/dbraw/zinc/60/16/84/891601684.db2.gz NMBORJGTVRHPEK-NXEZZACHSA-N 0 3 283.332 -1.141 20 0 CAADHN O=C(NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)c1ccccc1[O-] ZINC001445134288 891601658 /nfs/dbraw/zinc/60/16/58/891601658.db2.gz KEVZNLBBWWOQAP-MWLCHTKSSA-N 0 3 293.323 -1.039 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001445147037 891601805 /nfs/dbraw/zinc/60/18/05/891601805.db2.gz DOYMKVSYLDXRCQ-JTQLQIEISA-N 0 3 283.332 -1.432 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](O)CNCC(=O)NC(C)C ZINC001445132557 891601973 /nfs/dbraw/zinc/60/19/73/891601973.db2.gz HZNMGPZQBROINF-NXEZZACHSA-N 0 3 275.349 -1.387 20 0 CAADHN Cc1cnc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)cn1 ZINC001445135197 891602004 /nfs/dbraw/zinc/60/20/04/891602004.db2.gz IPMGQBMCKBOPNB-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001445140255 891602170 /nfs/dbraw/zinc/60/21/70/891602170.db2.gz LQPHTGQKSLQCMN-CABZTGNLSA-N 0 3 297.359 -1.489 20 0 CAADHN CC[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC(=O)NC ZINC001445145274 891602670 /nfs/dbraw/zinc/60/26/70/891602670.db2.gz ZKZLWKHWFSADLM-BDAKNGLRSA-N 0 3 288.348 -1.445 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)on1 ZINC001445139716 891602822 /nfs/dbraw/zinc/60/28/22/891602822.db2.gz WZQIKEFODMBUAZ-JTQLQIEISA-N 0 3 296.327 -1.058 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCO2)n[nH]1 ZINC001445142163 891602887 /nfs/dbraw/zinc/60/28/87/891602887.db2.gz NMBORJGTVRHPEK-ZJUUUORDSA-N 0 3 283.332 -1.141 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CC(C)(C)O)C(=O)N(C)C ZINC001445147160 891603080 /nfs/dbraw/zinc/60/30/80/891603080.db2.gz CEJQBSKAGAWRRJ-NXEZZACHSA-N 0 3 289.376 -1.309 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1=COCCC1 ZINC001445141398 891603120 /nfs/dbraw/zinc/60/31/20/891603120.db2.gz XDOAHYBCUGEYJS-JTQLQIEISA-N 0 3 271.317 -1.507 20 0 CAADHN CCCCC(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001445135436 891603285 /nfs/dbraw/zinc/60/32/85/891603285.db2.gz KRKHBFAZQXJTTI-MRVPVSSYSA-N 0 3 274.321 -1.562 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001445140262 891603304 /nfs/dbraw/zinc/60/33/04/891603304.db2.gz LQPHTGQKSLQCMN-SKDRFNHKSA-N 0 3 297.359 -1.489 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001445137538 891603540 /nfs/dbraw/zinc/60/35/40/891603540.db2.gz NHEWZHQDYUIBPU-LBPRGKRZSA-N 0 3 297.359 -1.535 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cccnc1)N1CCC1 ZINC001445143674 891603679 /nfs/dbraw/zinc/60/36/79/891603679.db2.gz OBTWXABGOZOYFC-LBPRGKRZSA-N 0 3 292.339 -1.006 20 0 CAADHN CCCCC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001445135443 891603816 /nfs/dbraw/zinc/60/38/16/891603816.db2.gz KRKHBFAZQXJTTI-QMMMGPOBSA-N 0 3 274.321 -1.562 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cnn1C ZINC001445145034 891604169 /nfs/dbraw/zinc/60/41/69/891604169.db2.gz YFLYXIFMZCLVTO-VXNVDRBHSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnnn1C)C(=O)N(C)C ZINC001445155004 891605148 /nfs/dbraw/zinc/60/51/48/891605148.db2.gz KLBKAYHVBQAQJW-DTWKUNHWSA-N 0 3 298.347 -2.028 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cnsn2)n[nH]1 ZINC001445150771 891605546 /nfs/dbraw/zinc/60/55/46/891605546.db2.gz HDXXZWWTVKRPJN-ZETCQYMHSA-N 0 3 297.344 -1.155 20 0 CAADHN Cc1cc(CC(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)no1 ZINC001445151511 891605652 /nfs/dbraw/zinc/60/56/52/891605652.db2.gz IRUSHVPCPANKFF-WDEREUQCSA-N 0 3 296.327 -1.519 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)ncn1 ZINC001445148984 891605973 /nfs/dbraw/zinc/60/59/73/891605973.db2.gz FQNVYDMBMXEBPF-ZJUUUORDSA-N 0 3 293.327 -1.646 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnnn1C)C(=O)N(C)C ZINC001445155013 891606578 /nfs/dbraw/zinc/60/65/78/891606578.db2.gz KLBKAYHVBQAQJW-RKDXNWHRSA-N 0 3 298.347 -2.028 20 0 CAADHN Cc1cc(CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)no1 ZINC001445151543 891606894 /nfs/dbraw/zinc/60/68/94/891606894.db2.gz IVUQYTKBWFNWQZ-PSASIEDQSA-N 0 3 284.316 -1.534 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CNC(C)=O ZINC001445149146 891607199 /nfs/dbraw/zinc/60/71/99/891607199.db2.gz RDELFRJPQCEHCE-CBAPKCEASA-N 0 3 274.321 -2.676 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)CC1CCC1 ZINC001445147505 891607372 /nfs/dbraw/zinc/60/73/72/891607372.db2.gz AJRLUKAPFBFMJC-VIFPVBQESA-N 0 3 286.332 -1.562 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1nccn1CC ZINC001445151006 891607528 /nfs/dbraw/zinc/60/75/28/891607528.db2.gz HAAUSWKSFHRMHI-SNVBAGLBSA-N 0 3 297.359 -1.281 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)CC1CCC1 ZINC001445147502 891607652 /nfs/dbraw/zinc/60/76/52/891607652.db2.gz AJRLUKAPFBFMJC-SECBINFHSA-N 0 3 286.332 -1.562 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001445151893 891607698 /nfs/dbraw/zinc/60/76/98/891607698.db2.gz JPYBQXCLYLAOPO-ONGXEEELSA-N 0 3 295.343 -1.703 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnnn1C ZINC001445149411 891607742 /nfs/dbraw/zinc/60/77/42/891607742.db2.gz DYCZEPSGMKHQPD-SFYZADRCSA-N 0 3 284.320 -2.370 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2cocn2)C1=O ZINC001445149666 891608043 /nfs/dbraw/zinc/60/80/43/891608043.db2.gz GWEBHTWOCBTOKV-BDAKNGLRSA-N 0 3 282.300 -1.414 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001445155713 891609375 /nfs/dbraw/zinc/60/93/75/891609375.db2.gz NSPKPYCILUQJIF-ZJUUUORDSA-N 0 3 296.327 -1.269 20 0 CAADHN Cc1cccnc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001445159072 891609399 /nfs/dbraw/zinc/60/93/99/891609399.db2.gz SLKGTDQQEYQSEM-QWRGUYRKSA-N 0 3 292.339 -1.041 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001445166483 891609476 /nfs/dbraw/zinc/60/94/76/891609476.db2.gz YZXBAGUQEFDUPX-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cccc(=O)[nH]1 ZINC001445159189 891609659 /nfs/dbraw/zinc/60/96/59/891609659.db2.gz NQZYLIVZVLRWSG-BDAKNGLRSA-N 0 3 294.311 -1.644 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1nccc(C)n1 ZINC001445164218 891609783 /nfs/dbraw/zinc/60/97/83/891609783.db2.gz XMIYMGBALPCAKX-NXEZZACHSA-N 0 3 295.343 -1.400 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001445161161 891609833 /nfs/dbraw/zinc/60/98/33/891609833.db2.gz PIUZQBGPIFKIQX-BDAKNGLRSA-N 0 3 275.305 -2.786 20 0 CAADHN COC1(CC(=O)NC[C@H](O)CN[C@H]2CCNC2=O)CCC1 ZINC001445164080 891609976 /nfs/dbraw/zinc/60/99/76/891609976.db2.gz XAQFFFGMKFXBQC-MNOVXSKESA-N 0 3 299.371 -1.099 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnnn1C ZINC001445160010 891610077 /nfs/dbraw/zinc/61/00/77/891610077.db2.gz QOUJWOPCOYQKBR-SECBINFHSA-N 0 3 298.347 -2.026 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001445159207 891610113 /nfs/dbraw/zinc/61/01/13/891610113.db2.gz NHFLMXRYDMAASW-SNVBAGLBSA-N 0 3 299.331 -1.657 20 0 CAADHN Cc1cccnc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001445159057 891610203 /nfs/dbraw/zinc/61/02/03/891610203.db2.gz SLKGTDQQEYQSEM-GHMZBOCLSA-N 0 3 292.339 -1.041 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CN[C@@H]1CCCN(C)C1=O ZINC001445155514 891610221 /nfs/dbraw/zinc/61/02/21/891610221.db2.gz ZWARREDSADTADU-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CCn1ccnc1C(=O)NC[C@H](O)CN[C@H](C)C(=O)NC ZINC001445157769 891610410 /nfs/dbraw/zinc/61/04/10/891610410.db2.gz NZAMRLFZYZFZCF-NXEZZACHSA-N 0 3 297.359 -1.282 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cocn1)N1CCCC1 ZINC001445160313 891610438 /nfs/dbraw/zinc/61/04/38/891610438.db2.gz QGEBOHQVQBWCJL-SNVBAGLBSA-N 0 3 296.327 -1.023 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1nccc(C)n1 ZINC001445164225 891610446 /nfs/dbraw/zinc/61/04/46/891610446.db2.gz XMIYMGBALPCAKX-VHSXEESVSA-N 0 3 295.343 -1.400 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001445165627 891610487 /nfs/dbraw/zinc/61/04/87/891610487.db2.gz XDKKXPLMUIZFNF-NSHDSACASA-N 0 3 297.359 -1.457 20 0 CAADHN CCn1ccnc1C(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC ZINC001445157780 891610585 /nfs/dbraw/zinc/61/05/85/891610585.db2.gz NZAMRLFZYZFZCF-ZJUUUORDSA-N 0 3 297.359 -1.282 20 0 CAADHN COC1(CC(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)CCC1 ZINC001445164089 891610653 /nfs/dbraw/zinc/61/06/53/891610653.db2.gz XAQFFFGMKFXBQC-WDEREUQCSA-N 0 3 299.371 -1.099 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001445162994 891610684 /nfs/dbraw/zinc/61/06/84/891610684.db2.gz TYEQZYVCMDAWAX-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cocn1 ZINC001445163198 891610770 /nfs/dbraw/zinc/61/07/70/891610770.db2.gz UCPAXKPXOIYJQA-MRVPVSSYSA-N 0 3 270.289 -1.509 20 0 CAADHN O=C(C[C@H]1CCCO1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001445167076 891610898 /nfs/dbraw/zinc/61/08/98/891610898.db2.gz ZRFQOEHANCDXBL-VXGBXAGGSA-N 0 3 299.371 -1.146 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001445162990 891610932 /nfs/dbraw/zinc/61/09/32/891610932.db2.gz TYEQZYVCMDAWAX-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnnn1C ZINC001445160016 891611106 /nfs/dbraw/zinc/61/11/06/891611106.db2.gz QOUJWOPCOYQKBR-VIFPVBQESA-N 0 3 298.347 -2.026 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001445162705 891611246 /nfs/dbraw/zinc/61/12/46/891611246.db2.gz SITCSPXUHDYTNM-VHSXEESVSA-N 0 3 288.348 -2.870 20 0 CAADHN CCOCC(=O)NC[C@H](O)CN[C@@H]1CCCN(C)C1=O ZINC001445155511 891611311 /nfs/dbraw/zinc/61/13/11/891611311.db2.gz ZWARREDSADTADU-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(C[C@@H]1CCCO1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001445167074 891611351 /nfs/dbraw/zinc/61/13/51/891611351.db2.gz ZRFQOEHANCDXBL-RYUDHWBXSA-N 0 3 299.371 -1.146 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C)n1cccn1 ZINC001445166985 891611391 /nfs/dbraw/zinc/61/13/91/891611391.db2.gz ZBSJEOIQXYYEOI-QWRGUYRKSA-N 0 3 297.359 -1.401 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001445155710 891611411 /nfs/dbraw/zinc/61/14/11/891611411.db2.gz NSPKPYCILUQJIF-NXEZZACHSA-N 0 3 296.327 -1.269 20 0 CAADHN O=C(C[C@@H]1CCCO1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001445167071 891611516 /nfs/dbraw/zinc/61/15/16/891611516.db2.gz ZRFQOEHANCDXBL-NEPJUHHUSA-N 0 3 299.371 -1.146 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cc2n(n1)CCO2)C(N)=O ZINC001445184565 891612608 /nfs/dbraw/zinc/61/26/08/891612608.db2.gz HITFJQBZJDISPW-JGVFFNPUSA-N 0 3 297.315 -2.170 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001445180365 891612766 /nfs/dbraw/zinc/61/27/66/891612766.db2.gz GSNOHFYSRQEEAD-UWVGGRQHSA-N 0 3 285.344 -1.753 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)Cn1ncnn1)NC1CC1 ZINC001445184195 891612832 /nfs/dbraw/zinc/61/28/32/891612832.db2.gz PRQPKZFTOFERGP-SECBINFHSA-N 0 3 297.319 -2.982 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccns1 ZINC001445180237 891613262 /nfs/dbraw/zinc/61/32/62/891613262.db2.gz MRKYIRWKGIMLDA-MRVPVSSYSA-N 0 3 286.357 -1.041 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1nn(C)cc1C ZINC001445178125 891613395 /nfs/dbraw/zinc/61/33/95/891613395.db2.gz HXXSMSGKQNOWBH-NXEZZACHSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001445190280 891613454 /nfs/dbraw/zinc/61/34/54/891613454.db2.gz RNEBPPKIWYNLDZ-APPZFPTMSA-N 0 3 297.315 -2.003 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccc(C)nn1)C(N)=O ZINC001445180886 891613553 /nfs/dbraw/zinc/61/35/53/891613553.db2.gz LHGRTFROLIJKEB-NXEZZACHSA-N 0 3 295.343 -1.271 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1nn(C)cc1C ZINC001445178224 891614302 /nfs/dbraw/zinc/61/43/02/891614302.db2.gz HXXSMSGKQNOWBH-ZJUUUORDSA-N 0 3 297.359 -1.457 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001445179115 891614554 /nfs/dbraw/zinc/61/45/54/891614554.db2.gz CCWKQKTXWSKABH-IUCAKERBSA-N 0 3 295.299 -2.249 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)CC1=O ZINC001445190123 891614581 /nfs/dbraw/zinc/61/45/81/891614581.db2.gz FLJPILQUPRBSRF-JGVFFNPUSA-N 0 3 272.305 -2.983 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccn(C(F)F)n1 ZINC001445184871 891614778 /nfs/dbraw/zinc/61/47/78/891614778.db2.gz PABJTRBTGACWQG-LURJTMIESA-N 0 3 291.258 -1.556 20 0 CAADHN CC(C)(C)n1cc(C(=O)NC[C@H](O)CNCC(N)=O)nn1 ZINC001445185049 891614917 /nfs/dbraw/zinc/61/49/17/891614917.db2.gz BKEYTTUHZBXYOK-MRVPVSSYSA-N 0 3 298.347 -1.801 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001445204997 891616164 /nfs/dbraw/zinc/61/61/64/891616164.db2.gz MXSHTBCNFFVNNH-UMNHJUIQSA-N 0 3 285.344 -1.647 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cncn1C ZINC001445210557 891616222 /nfs/dbraw/zinc/61/62/22/891616222.db2.gz UHTNOPIRLYLIEE-IUCAKERBSA-N 0 3 283.332 -1.765 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnco1)C(=O)N(C)C ZINC001445209699 891616340 /nfs/dbraw/zinc/61/63/40/891616340.db2.gz UILXNUYTXYZRDW-BDAKNGLRSA-N 0 3 284.316 -1.168 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CN1CCCNC1=O ZINC001445205509 891616808 /nfs/dbraw/zinc/61/68/08/891616808.db2.gz OHVTVCHCXXPPLC-MRVPVSSYSA-N 0 3 287.320 -3.046 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNCc1ncnn1C)N(C)C ZINC001445201649 891616438 /nfs/dbraw/zinc/61/64/38/891616438.db2.gz HBWWWKWCEZJRCP-GHMZBOCLSA-N 0 3 298.391 -1.278 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ncc[nH]1)C(=O)NC1CC1 ZINC001445204580 891616458 /nfs/dbraw/zinc/61/64/58/891616458.db2.gz ZCIJGXQAIFUUMB-WCBMZHEXSA-N 0 3 295.343 -1.243 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cncn2C)n[nH]1 ZINC001445201223 891616524 /nfs/dbraw/zinc/61/65/24/891616524.db2.gz KBBZSTOMYFRARH-SECBINFHSA-N 0 3 293.331 -1.273 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNCc1ncnn1C)N(C)C ZINC001445201654 891616546 /nfs/dbraw/zinc/61/65/46/891616546.db2.gz HBWWWKWCEZJRCP-WDEREUQCSA-N 0 3 298.391 -1.278 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001445196731 891616649 /nfs/dbraw/zinc/61/66/49/891616649.db2.gz RTNMOHGGKBWHHC-NSHDSACASA-N 0 3 299.371 -1.410 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccnc(OC)n1 ZINC001445210599 891616913 /nfs/dbraw/zinc/61/69/13/891616913.db2.gz MWADZJCNIUUIHU-MRVPVSSYSA-N 0 3 297.315 -2.089 20 0 CAADHN COc1nc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)co1 ZINC001445198662 891616930 /nfs/dbraw/zinc/61/69/30/891616930.db2.gz FQISCDQMCVLBBF-YUMQZZPRSA-N 0 3 298.299 -1.748 20 0 CAADHN COc1nc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)co1 ZINC001445198868 891617056 /nfs/dbraw/zinc/61/70/56/891617056.db2.gz FSTHPKKEKUWBGT-RQJHMYQMSA-N 0 3 286.288 -1.763 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CC1CC(F)(F)C1 ZINC001445212728 891617270 /nfs/dbraw/zinc/61/72/70/891617270.db2.gz QSCPWGWLMXOGHM-MRVPVSSYSA-N 0 3 279.287 -1.026 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnco1 ZINC001445206006 891617425 /nfs/dbraw/zinc/61/74/25/891617425.db2.gz OPXXDSMFDCLXKC-VIFPVBQESA-N 0 3 284.316 -1.167 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)c1cnco1)C1CC1 ZINC001445199843 891617518 /nfs/dbraw/zinc/61/75/18/891617518.db2.gz HASNAOVNVDDIKF-JTQLQIEISA-N 0 3 296.327 -1.024 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001445214581 891617801 /nfs/dbraw/zinc/61/78/01/891617801.db2.gz RIJSPVFLYACKIT-SDDRHHMPSA-N 0 3 299.371 -1.399 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001445212077 891617913 /nfs/dbraw/zinc/61/79/13/891617913.db2.gz NYQLHHLEXLWPHS-LLVKDONJSA-N 0 3 297.359 -1.654 20 0 CAADHN CCCc1n[nH]cc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001445198062 891617960 /nfs/dbraw/zinc/61/79/60/891617960.db2.gz HOVQRKZFCPRTBG-SECBINFHSA-N 0 3 297.359 -1.212 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001445207079 891618088 /nfs/dbraw/zinc/61/80/88/891618088.db2.gz KHGCDPBFLKBDCG-WDEREUQCSA-N 0 3 295.343 -1.853 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001445204990 891618189 /nfs/dbraw/zinc/61/81/89/891618189.db2.gz MXSHTBCNFFVNNH-FOGDFJRCSA-N 0 3 285.344 -1.647 20 0 CAADHN COc1ccncc1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001445209471 891618414 /nfs/dbraw/zinc/61/84/14/891618414.db2.gz OELAEDCRPCLULN-SNVBAGLBSA-N 0 3 296.327 -1.815 20 0 CAADHN Cn1c(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)c[nH]c1=O ZINC001445231743 891619378 /nfs/dbraw/zinc/61/93/78/891619378.db2.gz YRRZKPJDQGMRHR-SFYZADRCSA-N 0 3 297.315 -2.306 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)N(C)C ZINC001445222458 891619560 /nfs/dbraw/zinc/61/95/60/891619560.db2.gz WETBZSACOYMQOX-RNWYCLNJSA-N 0 3 299.371 -1.578 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1n[nH]cc1F ZINC001445242128 891619797 /nfs/dbraw/zinc/61/97/97/891619797.db2.gz SZORATRQSACLAQ-VXNVDRBHSA-N 0 3 299.306 -1.492 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001445220802 891620149 /nfs/dbraw/zinc/62/01/49/891620149.db2.gz QVWZHRKLBZJBDD-IUCAKERBSA-N 0 3 286.332 -2.580 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccnnc1 ZINC001445235591 891620042 /nfs/dbraw/zinc/62/00/42/891620042.db2.gz AZBJXJGWTGTXKU-WPRPVWTQSA-N 0 3 281.316 -1.709 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001445224664 891620201 /nfs/dbraw/zinc/62/02/01/891620201.db2.gz KATKVFXYIYPULJ-MWLCHTKSSA-N 0 3 296.327 -1.058 20 0 CAADHN COc1cccnc1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001445235839 891620215 /nfs/dbraw/zinc/62/02/15/891620215.db2.gz QLMVPOJOYSFXCD-SECBINFHSA-N 0 3 296.327 -1.815 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1c(C)nc[n-]c1=O ZINC001445222205 891620227 /nfs/dbraw/zinc/62/02/27/891620227.db2.gz AUWJPFCDDISSQS-MRVPVSSYSA-N 0 3 297.315 -2.083 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1conc1C1CC1 ZINC001445237607 891620250 /nfs/dbraw/zinc/62/02/50/891620250.db2.gz OSQILRIVCXZIKA-VIFPVBQESA-N 0 3 296.327 -1.022 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccnnc1 ZINC001445235589 891620348 /nfs/dbraw/zinc/62/03/48/891620348.db2.gz AZBJXJGWTGTXKU-WCBMZHEXSA-N 0 3 281.316 -1.709 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1conc1C ZINC001445221222 891620440 /nfs/dbraw/zinc/62/04/40/891620440.db2.gz BMFUEBXCLTZQPW-QMMMGPOBSA-N 0 3 270.289 -1.591 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001445222074 891620703 /nfs/dbraw/zinc/62/07/03/891620703.db2.gz FBBQGYMWCKNDQR-QMMMGPOBSA-N 0 3 299.331 -2.058 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccnnc1 ZINC001445235587 891620797 /nfs/dbraw/zinc/62/07/97/891620797.db2.gz AZBJXJGWTGTXKU-SCZZXKLOSA-N 0 3 281.316 -1.709 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1c[nH]cn1)C(N)=O ZINC001445240313 891621503 /nfs/dbraw/zinc/62/15/03/891621503.db2.gz AUCNMUAJUMTVST-ZJUUUORDSA-N 0 3 283.332 -1.717 20 0 CAADHN CCCc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)[nH]n1 ZINC001445230585 891621644 /nfs/dbraw/zinc/62/16/44/891621644.db2.gz XIVMQNSXOLQPDY-SCZZXKLOSA-N 0 3 297.359 -1.084 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001445229281 891621874 /nfs/dbraw/zinc/62/18/74/891621874.db2.gz UGYFWFMYQCHHKU-JTQLQIEISA-N 0 3 295.343 -1.323 20 0 CAADHN O=C(NC[C@H](O)CNCc1cccnc1)[C@H]1CNC(=O)N1 ZINC001445232957 891621890 /nfs/dbraw/zinc/62/18/90/891621890.db2.gz MZVGENSARBOFMT-GHMZBOCLSA-N 0 3 293.327 -1.670 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001445240945 891621911 /nfs/dbraw/zinc/62/19/11/891621911.db2.gz QNMRBMPAPGVKCF-KOLCDFICSA-N 0 3 297.359 -1.457 20 0 CAADHN Cc1noc(CNC[C@@H](O)CNC(=O)Cc2cnc[nH]2)n1 ZINC001445253355 891623014 /nfs/dbraw/zinc/62/30/14/891623014.db2.gz LTNQRZUWJILVAH-SNVBAGLBSA-N 0 3 294.315 -1.089 20 0 CAADHN Cc1nnsc1CNC[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001445257538 891623325 /nfs/dbraw/zinc/62/33/25/891623325.db2.gz QYSLXYRKIMUSII-SSDOTTSWSA-N 0 3 297.344 -1.155 20 0 CAADHN CC(=O)N[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)C(C)C ZINC001445258781 891623802 /nfs/dbraw/zinc/62/38/02/891623802.db2.gz HBWDSHQQQCNCHR-GXSJLCMTSA-N 0 3 288.348 -2.301 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001445258623 891623857 /nfs/dbraw/zinc/62/38/57/891623857.db2.gz RVDKDJNKWHKVHX-SECBINFHSA-N 0 3 298.347 -2.026 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccc(=O)[nH]c1 ZINC001445274368 891624001 /nfs/dbraw/zinc/62/40/01/891624001.db2.gz FJINJEZJMBNCJY-UWVGGRQHSA-N 0 3 294.311 -1.644 20 0 CAADHN CC(=O)N[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)C(C)C ZINC001445258783 891624033 /nfs/dbraw/zinc/62/40/33/891624033.db2.gz HBWDSHQQQCNCHR-MWLCHTKSSA-N 0 3 288.348 -2.301 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)CCNC(N)=O)cn1 ZINC001445264040 891624157 /nfs/dbraw/zinc/62/41/57/891624157.db2.gz DODFPFGDPXULCJ-SNVBAGLBSA-N 0 3 298.347 -1.955 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1)N1CCC1 ZINC001445263095 891624405 /nfs/dbraw/zinc/62/44/05/891624405.db2.gz QPCBNDKOIMVHEM-UWVGGRQHSA-N 0 3 298.343 -2.436 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001445265778 891624565 /nfs/dbraw/zinc/62/45/65/891624565.db2.gz ZFTITUHJSUKAMX-ZJUUUORDSA-N 0 3 281.316 -2.093 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ncccn1 ZINC001445248078 891624601 /nfs/dbraw/zinc/62/46/01/891624601.db2.gz FTLZELXSVSHMFN-SECBINFHSA-N 0 3 281.316 -1.707 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001445265767 891624696 /nfs/dbraw/zinc/62/46/96/891624696.db2.gz ZFTITUHJSUKAMX-NXEZZACHSA-N 0 3 281.316 -2.093 20 0 CAADHN COc1cc(CNC[C@H](O)CNC(=O)c2nnc[nH]2)on1 ZINC001445244133 891625112 /nfs/dbraw/zinc/62/51/12/891625112.db2.gz AUJCZWOYXNUAFF-ZETCQYMHSA-N 0 3 296.287 -1.318 20 0 CAADHN COc1cc(CNC[C@H](O)CNC(=O)c2ncn[nH]2)on1 ZINC001445244133 891625121 /nfs/dbraw/zinc/62/51/21/891625121.db2.gz AUJCZWOYXNUAFF-ZETCQYMHSA-N 0 3 296.287 -1.318 20 0 CAADHN COc1cc(CNC[C@H](O)CNC(=O)c2nc[nH]n2)on1 ZINC001445244133 891625124 /nfs/dbraw/zinc/62/51/24/891625124.db2.gz AUJCZWOYXNUAFF-ZETCQYMHSA-N 0 3 296.287 -1.318 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1[nH]cnc1C)C(N)=O ZINC001445261305 891625184 /nfs/dbraw/zinc/62/51/84/891625184.db2.gz ZATMVUGLCWNNPS-UWVGGRQHSA-N 0 3 297.359 -1.409 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnon1)C(=O)NC1CC1 ZINC001445245887 891625228 /nfs/dbraw/zinc/62/52/28/891625228.db2.gz CTDQXNALUXLVGL-CBAPKCEASA-N 0 3 297.315 -1.583 20 0 CAADHN Cn1ccnc1CNC[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001445256212 891625323 /nfs/dbraw/zinc/62/53/23/891625323.db2.gz QAEQLACXAZBKKH-QMMMGPOBSA-N 0 3 279.304 -1.581 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ocnc1C1CC1 ZINC001445248185 891626272 /nfs/dbraw/zinc/62/62/72/891626272.db2.gz PULGETQIUFXEHU-QMMMGPOBSA-N 0 3 282.300 -1.282 20 0 CAADHN COc1c(C(=O)NC[C@@H](O)CNCC(N)=O)cnn1C ZINC001445283301 891627635 /nfs/dbraw/zinc/62/76/35/891627635.db2.gz SWLXEWIZLNAHGS-ZETCQYMHSA-N 0 3 285.304 -2.406 20 0 CAADHN Cc1nn(C)c(F)c1C(=O)NC[C@H](O)CNCC(N)=O ZINC001445284351 891627684 /nfs/dbraw/zinc/62/76/84/891627684.db2.gz WSIGRXMNTPIWGZ-SSDOTTSWSA-N 0 3 287.295 -1.967 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001445316725 891627986 /nfs/dbraw/zinc/62/79/86/891627986.db2.gz SHGKKAFDHKWLDY-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)C1=COCCO1 ZINC001445326088 891628311 /nfs/dbraw/zinc/62/83/11/891628311.db2.gz FPEKFKTYEYEETL-MRVPVSSYSA-N 0 3 297.315 -1.409 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)nn1C ZINC001445279642 891628578 /nfs/dbraw/zinc/62/85/78/891628578.db2.gz OTLJWWCRSARUNK-SCZZXKLOSA-N 0 3 297.359 -1.463 20 0 CAADHN Cn1nc2c(c1C(=O)NC[C@H](O)CNCC(N)=O)CCC2 ZINC001445279564 891628593 /nfs/dbraw/zinc/62/85/93/891628593.db2.gz RJLFDXCCHTVMHV-MRVPVSSYSA-N 0 3 295.343 -1.926 20 0 CAADHN O=C(Cn1cncn1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001445277382 891628756 /nfs/dbraw/zinc/62/87/56/891628756.db2.gz WGLKVZCZBKPNCW-JTQLQIEISA-N 0 3 296.331 -2.423 20 0 CAADHN Cc1nn(C)c(F)c1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001445284499 891628789 /nfs/dbraw/zinc/62/87/89/891628789.db2.gz WSIGRXMNTPIWGZ-ZETCQYMHSA-N 0 3 287.295 -1.967 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001445275199 891629009 /nfs/dbraw/zinc/62/90/09/891629009.db2.gz BPLQKEORUPAJQP-QMMMGPOBSA-N 0 3 284.320 -2.228 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001445276289 891629197 /nfs/dbraw/zinc/62/91/97/891629197.db2.gz FCEWXXCTIWIMNG-IUCAKERBSA-N 0 3 298.347 -1.839 20 0 CAADHN CCc1noc(C)c1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001445276963 891629207 /nfs/dbraw/zinc/62/92/07/891629207.db2.gz VVGZCVFUDNVJFP-SECBINFHSA-N 0 3 298.343 -1.028 20 0 CAADHN CCc1ncncc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001445277942 891629222 /nfs/dbraw/zinc/62/92/22/891629222.db2.gz PZEVTYFCHYYXHE-RKDXNWHRSA-N 0 3 295.343 -1.407 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)C1CCOCC1 ZINC001445321935 891629404 /nfs/dbraw/zinc/62/94/04/891629404.db2.gz GFTBMZAOMXLMLI-MRVPVSSYSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cnccn1 ZINC001445319861 891629595 /nfs/dbraw/zinc/62/95/95/891629595.db2.gz CQXDISXVBDBPOF-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN O=C(Cn1ccnc1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001445276010 891629631 /nfs/dbraw/zinc/62/96/31/891629631.db2.gz DPZKNSDBTFPJOU-NSHDSACASA-N 0 3 295.343 -1.818 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)nn1C ZINC001445279629 891629880 /nfs/dbraw/zinc/62/98/80/891629880.db2.gz OTLJWWCRSARUNK-PSASIEDQSA-N 0 3 297.359 -1.463 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)Cc2ncc[nH]2)cn1 ZINC001445277039 891629919 /nfs/dbraw/zinc/62/99/19/891629919.db2.gz PFSQAAHWJJHVKS-LLVKDONJSA-N 0 3 292.343 -1.047 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H](C)NC(C)=O ZINC001445298070 891629965 /nfs/dbraw/zinc/62/99/65/891629965.db2.gz HPXZVKRUBJNGLK-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CNC(=O)N1CCCC1 ZINC001445359289 891631158 /nfs/dbraw/zinc/63/11/58/891631158.db2.gz GNJNACLLZALURJ-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CN[C@H](C)C(N)=O)C1 ZINC001445358649 891631201 /nfs/dbraw/zinc/63/12/01/891631201.db2.gz BKAHSZHGOZJFHH-HTQZYQBOSA-N 0 3 270.333 -1.567 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001445350202 891631967 /nfs/dbraw/zinc/63/19/67/891631967.db2.gz AHMGLAJJCZCLPR-MRVPVSSYSA-N 0 3 279.362 -1.739 20 0 CAADHN C[C@H](CNCc1ccnn1C)NC(=O)Cn1ncnn1 ZINC001445369810 891632080 /nfs/dbraw/zinc/63/20/80/891632080.db2.gz WGHHHZWKABFFKD-SECBINFHSA-N 0 3 278.320 -1.299 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1ccnc2c1CC(=O)N2 ZINC001445405848 891632172 /nfs/dbraw/zinc/63/21/72/891632172.db2.gz VICXAMXJUYUIRA-SSDOTTSWSA-N 0 3 291.311 -1.231 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cnc2c(c1)nnn2C ZINC001445394555 891632389 /nfs/dbraw/zinc/63/23/89/891632389.db2.gz BZSGRUVDBYEMSE-SSDOTTSWSA-N 0 3 291.315 -1.444 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001445377623 891632432 /nfs/dbraw/zinc/63/24/32/891632432.db2.gz YQYWWYVRZDPCFC-NXEZZACHSA-N 0 3 272.349 -1.843 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cnc2n[nH]nc2c1 ZINC001445390261 891632461 /nfs/dbraw/zinc/63/24/61/891632461.db2.gz PRQXDVYRJHIILS-RNFRBKRXSA-N 0 3 291.315 -1.065 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001445377626 891632478 /nfs/dbraw/zinc/63/24/78/891632478.db2.gz YQYWWYVRZDPCFC-ZJUUUORDSA-N 0 3 272.349 -1.843 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)CN1CCOCC1 ZINC001445365677 891632529 /nfs/dbraw/zinc/63/25/29/891632529.db2.gz NMCOOWFSEQCJAZ-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN1CCOCC1=O ZINC001445388928 891632629 /nfs/dbraw/zinc/63/26/29/891632629.db2.gz JRNYMKCBZODBOZ-MRVPVSSYSA-N 0 3 272.305 -2.575 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)c1cn(C)c(=O)n1C ZINC001445335790 891633222 /nfs/dbraw/zinc/63/32/22/891633222.db2.gz UZPTZWCMASLYRC-VIFPVBQESA-N 0 3 297.359 -1.351 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cn[nH]c1 ZINC001445348367 891633031 /nfs/dbraw/zinc/63/30/31/891633031.db2.gz FMLHZRPXVSAQRN-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CN1CCOCC1 ZINC001445369331 891633130 /nfs/dbraw/zinc/63/31/30/891633130.db2.gz VIGIGUAPALAWCT-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cccn2nnnc12 ZINC001445376619 891633303 /nfs/dbraw/zinc/63/33/03/891633303.db2.gz ASLHVZQDSVFZLU-SFYZADRCSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCn1ccccc1=O ZINC001445384700 891633507 /nfs/dbraw/zinc/63/35/07/891633507.db2.gz XJYXPBUBCZXLEY-SNVBAGLBSA-N 0 3 280.328 -1.182 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CC1(F)F ZINC001445369149 891633768 /nfs/dbraw/zinc/63/37/68/891633768.db2.gz GMMXHPLXHDTBII-PHDIDXHHSA-N 0 3 278.259 -1.069 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CN1CCOCC1 ZINC001445369335 891633868 /nfs/dbraw/zinc/63/38/68/891633868.db2.gz VIGIGUAPALAWCT-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)C[C@@H](C)NC(N)=O ZINC001445359264 891633936 /nfs/dbraw/zinc/63/39/36/891633936.db2.gz GDUWZUKLCIJMIF-RKDXNWHRSA-N 0 3 287.364 -1.336 20 0 CAADHN Cc1occc1C(=O)NCC(=O)N[C@H](C)CNCC(N)=O ZINC001445384863 891634096 /nfs/dbraw/zinc/63/40/96/891634096.db2.gz AMWKCMOEYOTRPU-MRVPVSSYSA-N 0 3 296.327 -1.103 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CN1CCCNC1=O ZINC001445406809 891634247 /nfs/dbraw/zinc/63/42/47/891634247.db2.gz WAJSMPOPJWFKNP-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1COC(=O)N1 ZINC001445368202 891634152 /nfs/dbraw/zinc/63/41/52/891634152.db2.gz VYBUAGHQYJXMFO-SCZZXKLOSA-N 0 3 298.343 -1.285 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cccn2nnnc12 ZINC001445376618 891634276 /nfs/dbraw/zinc/63/42/76/891634276.db2.gz ASLHVZQDSVFZLU-HTQZYQBOSA-N 0 3 291.315 -1.294 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001445363090 891634306 /nfs/dbraw/zinc/63/43/06/891634306.db2.gz MTMANRORWMSRPX-MRVPVSSYSA-N 0 3 297.363 -1.118 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001445405310 891634349 /nfs/dbraw/zinc/63/43/49/891634349.db2.gz AVZHOXRXBJEJOU-BDAKNGLRSA-N 0 3 270.333 -1.375 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001445350560 891634377 /nfs/dbraw/zinc/63/43/77/891634377.db2.gz BOUKUPQUOBNZQC-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)Cn1cc(C2CC2)nn1 ZINC001445389699 891634500 /nfs/dbraw/zinc/63/45/00/891634500.db2.gz KEVGXDIFEKOCND-SECBINFHSA-N 0 3 294.359 -1.004 20 0 CAADHN Cc1c(C(=O)N[C@H](C)CNCC(=O)N(C)C)nnn1C ZINC001445352477 891634562 /nfs/dbraw/zinc/63/45/62/891634562.db2.gz GBULJVBDEADNFE-MRVPVSSYSA-N 0 3 282.348 -1.080 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001445479187 891635759 /nfs/dbraw/zinc/63/57/59/891635759.db2.gz CWOMEPNJFCEVOM-KOLCDFICSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C1(NC(N)=O)CCCCC1 ZINC001445446429 891635792 /nfs/dbraw/zinc/63/57/92/891635792.db2.gz MRXQGHPREFUGAZ-SECBINFHSA-N 0 3 299.375 -1.063 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCCS(C)(=O)=O ZINC001445453084 891635881 /nfs/dbraw/zinc/63/58/81/891635881.db2.gz IWQTVOOSSFRKQZ-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN CC(C)NC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001445477850 891635932 /nfs/dbraw/zinc/63/59/32/891635932.db2.gz CKPLXHBBPANKIG-SECBINFHSA-N 0 3 282.348 -1.034 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001445433322 891636237 /nfs/dbraw/zinc/63/62/37/891636237.db2.gz AUBWYERWXWAESE-HTQZYQBOSA-N 0 3 281.316 -1.258 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001445433323 891636528 /nfs/dbraw/zinc/63/65/28/891636528.db2.gz AUBWYERWXWAESE-SFYZADRCSA-N 0 3 281.316 -1.258 20 0 CAADHN C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@H]1CNC(=O)N1 ZINC001445438984 891636651 /nfs/dbraw/zinc/63/66/51/891636651.db2.gz TXAJOFRPGMDFOM-RKDXNWHRSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001445425655 891636702 /nfs/dbraw/zinc/63/67/02/891636702.db2.gz ZGUWHDRNJOTYDL-BBBLOLIVSA-N 0 3 282.344 -1.410 20 0 CAADHN Cc1cc(C)n(CC(=O)N[C@H](C)CNCC(N)=O)c(=O)n1 ZINC001445458350 891636907 /nfs/dbraw/zinc/63/69/07/891636907.db2.gz QPTLFYJHCCXKAF-SECBINFHSA-N 0 3 295.343 -1.560 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCCS(C)(=O)=O ZINC001445453074 891637188 /nfs/dbraw/zinc/63/71/88/891637188.db2.gz IWQTVOOSSFRKQZ-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001445437239 891637822 /nfs/dbraw/zinc/63/78/22/891637822.db2.gz KSJUQYDNYRHKKQ-BDAKNGLRSA-N 0 3 293.327 -1.244 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)CCn1cnnn1 ZINC001445453967 891637991 /nfs/dbraw/zinc/63/79/91/891637991.db2.gz LGTOLHGOXNXGCG-ZJUUUORDSA-N 0 3 295.347 -1.564 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001445433297 891638007 /nfs/dbraw/zinc/63/80/07/891638007.db2.gz AOCOWRUEUFDODQ-RKDXNWHRSA-N 0 3 285.348 -1.713 20 0 CAADHN COCC(=O)N[C@@H](C)CNCc1cc(=O)n(C)c(=O)n1C ZINC001445503504 891638687 /nfs/dbraw/zinc/63/86/87/891638687.db2.gz HHPWQKJLEVGJSF-VIFPVBQESA-N 0 3 298.343 -1.675 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCCO1 ZINC001445516084 891638795 /nfs/dbraw/zinc/63/87/95/891638795.db2.gz ZTLQMSVFCTZQPM-DTWKUNHWSA-N 0 3 283.332 -1.118 20 0 CAADHN CO[C@H](C)C(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001445515893 891638902 /nfs/dbraw/zinc/63/89/02/891638902.db2.gz FQEUCCVUBVUKQC-JGVFFNPUSA-N 0 3 271.321 -1.262 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cccnc1C(N)=O ZINC001445497349 891639466 /nfs/dbraw/zinc/63/94/66/891639466.db2.gz IPMVPBLXPCPZBV-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)CCNC(N)=O ZINC001445492711 891639495 /nfs/dbraw/zinc/63/94/95/891639495.db2.gz JSQJOZPIAICBKT-RKDXNWHRSA-N 0 3 299.375 -1.194 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001445496889 891639741 /nfs/dbraw/zinc/63/97/41/891639741.db2.gz LZIXXKHRKVFSDF-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CNC(=O)C1CC1 ZINC001445515466 891639843 /nfs/dbraw/zinc/63/98/43/891639843.db2.gz IHMNDLOEEBCFSP-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CCn1cncn1 ZINC001445511441 891639953 /nfs/dbraw/zinc/63/99/53/891639953.db2.gz AAQNEMMFPAAHSH-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001445497210 891640221 /nfs/dbraw/zinc/64/02/21/891640221.db2.gz CFNJNWVSNAPJFV-RNFRBKRXSA-N 0 3 278.334 -2.742 20 0 CAADHN COCC(=O)N[C@@H](C)CNCC(=O)N1CCO[C@@H](C)C1 ZINC001445497808 891640318 /nfs/dbraw/zinc/64/03/18/891640318.db2.gz MPXHDFLEHDZAHU-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)CCNC(N)=O ZINC001445492568 891640556 /nfs/dbraw/zinc/64/05/56/891640556.db2.gz JSQJOZPIAICBKT-BDAKNGLRSA-N 0 3 299.375 -1.194 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001445499636 891640656 /nfs/dbraw/zinc/64/06/56/891640656.db2.gz GMWASCNQVBIWRG-HTQZYQBOSA-N 0 3 292.361 -2.482 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)Cn1cnnn1 ZINC001445509838 891640694 /nfs/dbraw/zinc/64/06/94/891640694.db2.gz GBSNGSWSDFOUMJ-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cnco1)C(=O)NC(N)=O ZINC001445587328 891642172 /nfs/dbraw/zinc/64/21/72/891642172.db2.gz COPQNEBROJQITL-NKWVEPMBSA-N 0 3 283.288 -1.034 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@H]1COC(=O)C1 ZINC001445553040 891642350 /nfs/dbraw/zinc/64/23/50/891642350.db2.gz VBXLOOQXTOOWKQ-DTWKUNHWSA-N 0 3 271.317 -1.220 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001445572492 891642482 /nfs/dbraw/zinc/64/24/82/891642482.db2.gz SADGRWAIUMLZCG-DTWKUNHWSA-N 0 3 298.347 -2.189 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnco1 ZINC001445587326 891642598 /nfs/dbraw/zinc/64/25/98/891642598.db2.gz COPQNEBROJQITL-BQBZGAKWSA-N 0 3 283.288 -1.034 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)c1cnn(C)c1N)C(N)=O ZINC001445538240 891642646 /nfs/dbraw/zinc/64/26/46/891642646.db2.gz QQEBEIIXZOBVPV-CBAPKCEASA-N 0 3 282.348 -1.026 20 0 CAADHN Cc1nc([C@H](C)NC[C@H](C)NC(=O)Cn2ncnn2)n[nH]1 ZINC001445544207 891642686 /nfs/dbraw/zinc/64/26/86/891642686.db2.gz CIOIQRIXFKCPNI-YUMQZZPRSA-N 0 3 293.335 -1.045 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccc(C(N)=O)o1 ZINC001445577308 891642714 /nfs/dbraw/zinc/64/27/14/891642714.db2.gz DRSYNBDCSLTDCB-ZETCQYMHSA-N 0 3 282.300 -1.168 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cnc(N(C)C)cn1 ZINC001445550343 891642764 /nfs/dbraw/zinc/64/27/64/891642764.db2.gz XYTXMDNXUUTEDQ-VIFPVBQESA-N 0 3 294.359 -1.004 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)c1nnn(C)n1 ZINC001445591437 891642923 /nfs/dbraw/zinc/64/29/23/891642923.db2.gz SBPYMRZRMIRCML-VIFPVBQESA-N 0 3 295.347 -1.460 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@H]1CCCS1(=O)=O ZINC001445593732 891642931 /nfs/dbraw/zinc/64/29/31/891642931.db2.gz RUFCUUNMIUNUEO-DTWKUNHWSA-N 0 3 291.373 -1.467 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cnnn1C)C(=O)N(C)C ZINC001445554809 891642937 /nfs/dbraw/zinc/64/29/37/891642937.db2.gz MJHDHUJGDYXFHN-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN CCN1CC[C@H](NC[C@H](C)NC(=O)Cn2ncnn2)C1=O ZINC001445549917 891643029 /nfs/dbraw/zinc/64/30/29/891643029.db2.gz WYUPRXRTMYACER-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cc2n(n1)CCO2 ZINC001445557686 891643106 /nfs/dbraw/zinc/64/31/06/891643106.db2.gz LPXOLGSTTJJLML-IUCAKERBSA-N 0 3 293.327 -1.128 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001445592796 891643466 /nfs/dbraw/zinc/64/34/66/891643466.db2.gz IQVZOKOXKQDTPF-TVQRCGJNSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CN1CCOCC1 ZINC001445554550 891643739 /nfs/dbraw/zinc/64/37/39/891643739.db2.gz VIGIGUAPALAWCT-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001445591519 891644378 /nfs/dbraw/zinc/64/43/78/891644378.db2.gz SESACGJYGVVEDP-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001445572512 891644498 /nfs/dbraw/zinc/64/44/98/891644498.db2.gz SADGRWAIUMLZCG-IUCAKERBSA-N 0 3 298.347 -2.189 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)CC[NH+](C)C ZINC001445618741 891645664 /nfs/dbraw/zinc/64/56/64/891645664.db2.gz VRMZXDLXOYRIOY-VIFPVBQESA-N 0 3 284.364 -1.346 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001445611531 891646151 /nfs/dbraw/zinc/64/61/51/891646151.db2.gz XPYSTADCPSVICP-BHDSKKPTSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001445644996 891646248 /nfs/dbraw/zinc/64/62/48/891646248.db2.gz XYWQMMXTCOIQRO-ZETCQYMHSA-N 0 3 297.315 -2.060 20 0 CAADHN COC[C@@H](OC)C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001445607382 891646504 /nfs/dbraw/zinc/64/65/04/891646504.db2.gz OJVULHOIGLLGGV-VHSXEESVSA-N 0 3 275.349 -1.170 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccc2nncn2c1 ZINC001445615125 891646732 /nfs/dbraw/zinc/64/67/32/891646732.db2.gz KPWIOIFYURZZSQ-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN COC[C@H](OC)C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001445607380 891647017 /nfs/dbraw/zinc/64/70/17/891647017.db2.gz OJVULHOIGLLGGV-UWVGGRQHSA-N 0 3 275.349 -1.170 20 0 CAADHN C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)Cc1nnc[n-]1 ZINC001445632512 891647610 /nfs/dbraw/zinc/64/76/10/891647610.db2.gz CXSPUCLLBCEKLV-VIFPVBQESA-N 0 3 294.359 -1.032 20 0 CAADHN CCN(C)C(=O)C[NH2+]C[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001445637144 891647770 /nfs/dbraw/zinc/64/77/70/891647770.db2.gz ZXDMXCXNNMOGHM-VIFPVBQESA-N 0 3 282.348 -1.080 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)CCCC(N)=O ZINC001445669057 891650838 /nfs/dbraw/zinc/65/08/38/891650838.db2.gz REQKYGFFDRIUTH-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@H](C)CN(C)CCO)C(N)=O ZINC001445811316 891652737 /nfs/dbraw/zinc/65/27/37/891652737.db2.gz KMWBUVPUKZYFPQ-SCZZXKLOSA-N 0 3 288.348 -2.205 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001445940423 891656297 /nfs/dbraw/zinc/65/62/97/891656297.db2.gz RUKKMEUGXIAQNL-LDYMZIIASA-N 0 3 284.360 -1.177 20 0 CAADHN Cn1nncc1C(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001445929403 891656403 /nfs/dbraw/zinc/65/64/03/891656403.db2.gz CDUSEGMYVDPFEZ-UWVGGRQHSA-N 0 3 292.343 -1.198 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)Cn1cnnn1)C1CC1)C(N)=O ZINC001445934246 891656737 /nfs/dbraw/zinc/65/67/37/891656737.db2.gz MVJBZHJJSMAYSH-APPZFPTMSA-N 0 3 281.320 -1.969 20 0 CAADHN Cc1c(C(=O)N[C@H](CNCC(N)=O)C2CC2)nnn1C ZINC001445934676 891656788 /nfs/dbraw/zinc/65/67/88/891656788.db2.gz ITUKXMNFLQTPQF-SECBINFHSA-N 0 3 280.332 -1.293 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001445958672 891658113 /nfs/dbraw/zinc/65/81/13/891658113.db2.gz KSEXWNFWLUYMIQ-JTQLQIEISA-N 0 3 297.359 -2.612 20 0 CAADHN CCCN1CC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001446022712 891658141 /nfs/dbraw/zinc/65/81/41/891658141.db2.gz AHYYBSUEBSFWHV-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1COCCO1)C1CC1 ZINC001445944424 891658285 /nfs/dbraw/zinc/65/82/85/891658285.db2.gz ZTSWTESACANORG-VHSXEESVSA-N 0 3 271.317 -1.629 20 0 CAADHN CN(CC(=O)N[C@@H](CNCC(N)=O)C1CC1)C(=O)C1CC1 ZINC001445954691 891658349 /nfs/dbraw/zinc/65/83/49/891658349.db2.gz QTZPTMMRRMSLPE-NSHDSACASA-N 0 3 296.371 -1.176 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H]1CCN1C[C@H]1CCOC1 ZINC001446032041 891658480 /nfs/dbraw/zinc/65/84/80/891658480.db2.gz SUVDFQMERLXTAU-GHMZBOCLSA-N 0 3 280.332 -1.100 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001445961778 891659222 /nfs/dbraw/zinc/65/92/22/891659222.db2.gz AGTZZJYFVQEHJQ-QMMMGPOBSA-N 0 3 279.300 -1.647 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001445994275 891659465 /nfs/dbraw/zinc/65/94/65/891659465.db2.gz SKOZRYKJFISFRY-WDEREUQCSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](NC[C@H](NC(=O)CCNC(N)=O)C1CC1)C(N)=O ZINC001445997737 891659502 /nfs/dbraw/zinc/65/95/02/891659502.db2.gz FVMBORZVJHRFPA-CBAPKCEASA-N 0 3 285.348 -1.597 20 0 CAADHN CN(CC(=O)N[C@H](CNCC(N)=O)C1CC1)C(=O)C1CC1 ZINC001445954687 891659837 /nfs/dbraw/zinc/65/98/37/891659837.db2.gz QTZPTMMRRMSLPE-LLVKDONJSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001445953436 891659910 /nfs/dbraw/zinc/65/99/10/891659910.db2.gz MCGFKPFWVYOZIB-MNOVXSKESA-N 0 3 296.371 -1.115 20 0 CAADHN CCN1CCO[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001445992280 891659941 /nfs/dbraw/zinc/65/99/41/891659941.db2.gz ZICZTLNVFGIEIQ-VXGBXAGGSA-N 0 3 298.387 -1.323 20 0 CAADHN COC[C@@H](O)CN1CC[C@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001446048668 891663603 /nfs/dbraw/zinc/66/36/03/891663603.db2.gz UEWBFJFBOIKMOH-QWRGUYRKSA-N 0 3 297.359 -1.147 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@H](C)NC(N)=O)CC1)C(N)=O ZINC001446160514 891666569 /nfs/dbraw/zinc/66/65/69/891666569.db2.gz JUXTVUSBBWQVDM-JGVFFNPUSA-N 0 3 285.348 -1.455 20 0 CAADHN CN1CCO[C@@H](C(=O)NCC2(NCC(N)=O)CC2)C1 ZINC001446155954 891666907 /nfs/dbraw/zinc/66/69/07/891666907.db2.gz WXSXMCOSYCJVGX-SECBINFHSA-N 0 3 270.333 -1.959 20 0 CAADHN CC[C@H](NC1(CNC(=O)CCn2cnnn2)CC1)C(N)=O ZINC001446260633 891669097 /nfs/dbraw/zinc/66/90/97/891669097.db2.gz ULUKCNHVBGFAKH-VIFPVBQESA-N 0 3 295.347 -1.435 20 0 CAADHN CS(=O)(=O)CCNC1(CNC(=O)c2nnc[nH]2)CC1 ZINC001446258626 891669557 /nfs/dbraw/zinc/66/95/57/891669557.db2.gz OEQQYQDHDOZPDT-UHFFFAOYSA-N 0 3 287.345 -1.299 20 0 CAADHN CC[C@@H](NC1(CNC(=O)CCn2cnnn2)CC1)C(N)=O ZINC001446260628 891669758 /nfs/dbraw/zinc/66/97/58/891669758.db2.gz ULUKCNHVBGFAKH-SECBINFHSA-N 0 3 295.347 -1.435 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCC2(NCC(=O)NC)CC2)C1 ZINC001446300425 891672782 /nfs/dbraw/zinc/67/27/82/891672782.db2.gz STXLMQUUBBUQAZ-LLVKDONJSA-N 0 3 298.387 -1.309 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001446427349 891676125 /nfs/dbraw/zinc/67/61/25/891676125.db2.gz KJLOJRDKATUQJZ-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001446424329 891676441 /nfs/dbraw/zinc/67/64/41/891676441.db2.gz DKUPQZHNXMSIKV-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)Cn1cncn1 ZINC001446453049 891677755 /nfs/dbraw/zinc/67/77/55/891677755.db2.gz FVOVTDIKCPZIAX-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001446436002 891677963 /nfs/dbraw/zinc/67/79/63/891677963.db2.gz KCYALTHGOCPRCL-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1C ZINC001446442845 891678148 /nfs/dbraw/zinc/67/81/48/891678148.db2.gz WTHXKBVSRAIOFX-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)Cn1cncn1 ZINC001446458439 891678612 /nfs/dbraw/zinc/67/86/12/891678612.db2.gz VLFXWRNEMYWXIK-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)Cn1cncn1 ZINC001446458429 891678687 /nfs/dbraw/zinc/67/86/87/891678687.db2.gz VLFXWRNEMYWXIK-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001446452056 891679492 /nfs/dbraw/zinc/67/94/92/891679492.db2.gz AENSFIIHHCGYPH-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)Cn1cncn1 ZINC001446458436 891679662 /nfs/dbraw/zinc/67/96/62/891679662.db2.gz VLFXWRNEMYWXIK-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 ZINC001446717678 891681456 /nfs/dbraw/zinc/68/14/56/891681456.db2.gz WXAULZJDOSJNQC-BDAKNGLRSA-N 0 3 298.343 -2.152 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2n[nH]cc2F)CCOCC1 ZINC001446712512 891681925 /nfs/dbraw/zinc/68/19/25/891681925.db2.gz IBLILTKNFBVMFZ-UHFFFAOYSA-N 0 3 299.306 -1.097 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@]1(C)CCN(C[C@@H](C)O)C1 ZINC001446554043 891682052 /nfs/dbraw/zinc/68/20/52/891682052.db2.gz DGFRJCRKXVNVQS-MWLCHTKSSA-N 0 3 293.389 -1.503 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CCC(=O)N2)CCOCC1 ZINC001446701326 891682749 /nfs/dbraw/zinc/68/27/49/891682749.db2.gz QONFILDZTRBKRN-SECBINFHSA-N 0 3 298.343 -1.995 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cn2c(n1)CCC2 ZINC001446762665 891685279 /nfs/dbraw/zinc/68/52/79/891685279.db2.gz MEJXSGDLXAFZIX-CQSZACIVSA-N 0 3 294.355 -1.012 20 0 CAADHN O=C(C[C@@H]1CCOC1)NC[C@]1(O)CCN(CCO)C1 ZINC001446746238 891685413 /nfs/dbraw/zinc/68/54/13/891685413.db2.gz OBKYLFILJQXTLY-WCQYABFASA-N 0 3 272.345 -1.042 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@]1(O)CCN(CCOC)C1 ZINC001446747948 891685462 /nfs/dbraw/zinc/68/54/62/891685462.db2.gz RAAIJCMMXUXIHU-ZDUSSCGKSA-N 0 3 287.360 -1.288 20 0 CAADHN CCC(=O)NCC(=O)NC[C@]1(O)CCN(CCOC)C1 ZINC001446747947 891685764 /nfs/dbraw/zinc/68/57/64/891685764.db2.gz RAAIJCMMXUXIHU-CYBMUJFWSA-N 0 3 287.360 -1.288 20 0 CAADHN COc1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)nn1C ZINC001446765929 891686220 /nfs/dbraw/zinc/68/62/20/891686220.db2.gz YQOICQUVHVWFRN-CYBMUJFWSA-N 0 3 298.343 -1.412 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@@]2(O)CCN(CCO)C2)o1 ZINC001446761082 891686263 /nfs/dbraw/zinc/68/62/63/891686263.db2.gz PGYRYVFTNBXHFP-ZDUSSCGKSA-N 0 3 297.311 -1.463 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)C1=COCCO1 ZINC001446738892 891687900 /nfs/dbraw/zinc/68/79/00/891687900.db2.gz NXKMAVJVBYWUDX-LBPRGKRZSA-N 0 3 272.301 -1.580 20 0 CAADHN O=C(CNC(=O)C1CC1)NC[C@@]1(O)CCN(CCO)C1 ZINC001446737819 891687953 /nfs/dbraw/zinc/68/79/53/891687953.db2.gz MZBPUMSUCMRASD-ZDUSSCGKSA-N 0 3 285.344 -1.942 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H](COC)OC)C1 ZINC001446784543 891689465 /nfs/dbraw/zinc/68/94/65/891689465.db2.gz CRPRVOYPDXNVTK-WCQYABFASA-N 0 3 290.360 -1.153 20 0 CAADHN O=C(CCc1cn[nH]c1)NC[C@@]1(O)CCN(CCO)C1 ZINC001446783741 891689758 /nfs/dbraw/zinc/68/97/58/891689758.db2.gz PSWBOACPJWSWLR-ZDUSSCGKSA-N 0 3 282.344 -1.112 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001446777350 891691031 /nfs/dbraw/zinc/69/10/31/891691031.db2.gz NXCKAJONGDDMCY-GWCFXTLKSA-N 0 3 287.360 -1.303 20 0 CAADHN COc1ncc(C(=O)NC[C@@]2(O)CCN(CCO)C2)cn1 ZINC001446793106 891691406 /nfs/dbraw/zinc/69/14/06/891691406.db2.gz BKIIJWQIWLSCPS-ZDUSSCGKSA-N 0 3 296.327 -1.356 20 0 CAADHN CCCn1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)nn1 ZINC001446815100 891693907 /nfs/dbraw/zinc/69/39/07/891693907.db2.gz XRFVXTKLTIQTFQ-ZDUSSCGKSA-N 0 3 297.359 -1.153 20 0 CAADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NOCC(N)=O)cn1 ZINC001446959896 891706929 /nfs/dbraw/zinc/70/69/29/891706929.db2.gz ZWQSDKLCCJZFCL-MNOVXSKESA-N 0 3 295.343 -1.012 20 0 CAADHN O=C(c1cocn1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001447052538 891709067 /nfs/dbraw/zinc/70/90/67/891709067.db2.gz LDZNJVMFPKCTRC-SECBINFHSA-N 0 3 282.300 -1.413 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)Cn1cncn1 ZINC001447050384 891709268 /nfs/dbraw/zinc/70/92/68/891709268.db2.gz GTEMPGAQSSBVRQ-JTQLQIEISA-N 0 3 298.347 -2.177 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@]1(C)CCOC1)C(N)=O ZINC001447046853 891709590 /nfs/dbraw/zinc/70/95/90/891709590.db2.gz BKURUPHGXXLMJV-GXFFZTMASA-N 0 3 287.360 -1.303 20 0 CAADHN Cc1ocnc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001447050640 891710256 /nfs/dbraw/zinc/71/02/56/891710256.db2.gz IRXYGZXDSDZXIS-QMMMGPOBSA-N 0 3 284.316 -1.119 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cnccn1)C(N)=O ZINC001447052312 891710620 /nfs/dbraw/zinc/71/06/20/891710620.db2.gz JZXRJMSXTVYZMQ-SECBINFHSA-N 0 3 281.316 -1.626 20 0 CAADHN Cc1[nH]nc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)c1C ZINC001447051033 891710780 /nfs/dbraw/zinc/71/07/80/891710780.db2.gz JMKKJYGXCLJGKD-JTQLQIEISA-N 0 3 297.359 -1.076 20 0 CAADHN O=C(Cn1cnnn1)N[C@@]1(CO)CCCN(CCCO)C1 ZINC001447009353 891710859 /nfs/dbraw/zinc/71/08/59/891710859.db2.gz MIMSRDDNQRWWFZ-LBPRGKRZSA-N 0 3 298.347 -2.001 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)Cn1cncn1 ZINC001447050388 891710869 /nfs/dbraw/zinc/71/08/69/891710869.db2.gz GTEMPGAQSSBVRQ-SNVBAGLBSA-N 0 3 298.347 -2.177 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1ccon1 ZINC001447047604 891710963 /nfs/dbraw/zinc/71/09/63/891710963.db2.gz DLHMSTQOYGWZPH-VIFPVBQESA-N 0 3 284.316 -1.167 20 0 CAADHN Cc1ocnc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001447050638 891711217 /nfs/dbraw/zinc/71/12/17/891711217.db2.gz IRXYGZXDSDZXIS-MRVPVSSYSA-N 0 3 284.316 -1.119 20 0 CAADHN O=C(c1ccncn1)N(CCO)CCN[C@H]1CCNC1=O ZINC001447046791 891711399 /nfs/dbraw/zinc/71/13/99/891711399.db2.gz AWFKOFWWHCIPCT-JTQLQIEISA-N 0 3 293.327 -1.611 20 0 CAADHN CO[C@@H](C)C(=O)N(CCO)CCN[C@H]1CCCNC1=O ZINC001447058977 891712535 /nfs/dbraw/zinc/71/25/35/891712535.db2.gz VMBNGJDNIJWJRB-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CO[C@@H](C)C(=O)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001447058982 891713381 /nfs/dbraw/zinc/71/33/81/891713381.db2.gz VMBNGJDNIJWJRB-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1nccc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)n1 ZINC001447053491 891713578 /nfs/dbraw/zinc/71/35/78/891713578.db2.gz LLDMDRWYBRYTEC-SECBINFHSA-N 0 3 295.343 -1.317 20 0 CAADHN Cc1ncoc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001447058371 891713812 /nfs/dbraw/zinc/71/38/12/891713812.db2.gz UUSJZAILPCOLGG-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1nnn(C)n1)C(N)=O ZINC001447068861 891713900 /nfs/dbraw/zinc/71/39/00/891713900.db2.gz YCRWYDLJVPXLAV-ZETCQYMHSA-N 0 3 285.308 -2.892 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H](C)n1cccn1)C(N)=O ZINC001447059576 891714001 /nfs/dbraw/zinc/71/40/01/891714001.db2.gz WKSZWOCZTQLYOL-QWRGUYRKSA-N 0 3 297.359 -1.272 20 0 CAADHN O=C(c1cn[nH]n1)N(CCO)CCN[C@H]1CCNC1=O ZINC001447056694 891714550 /nfs/dbraw/zinc/71/45/50/891714550.db2.gz CAONYAXHNBZLIP-QMMMGPOBSA-N 0 3 282.304 -2.283 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cn(C)nn1)C(N)=O ZINC001447054357 891714871 /nfs/dbraw/zinc/71/48/71/891714871.db2.gz JADPGZOHUSKEPD-SECBINFHSA-N 0 3 298.347 -1.897 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O)C(N)=O ZINC001447067657 891715038 /nfs/dbraw/zinc/71/50/38/891715038.db2.gz VVDNQLJYLIMCMZ-HLTSFMKQSA-N 0 3 286.332 -2.608 20 0 CAADHN COCC(=O)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001447058367 891715121 /nfs/dbraw/zinc/71/51/21/891715121.db2.gz UTXNBWUNLIHICK-SNVBAGLBSA-N 0 3 273.333 -1.678 20 0 CAADHN O=C(c1nc[n-]n1)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001447063221 891715360 /nfs/dbraw/zinc/71/53/60/891715360.db2.gz ZOYZCXCVOGNGSB-SECBINFHSA-N 0 3 296.331 -1.893 20 0 CAADHN CC[C@H](OC)C(=O)N1CCO[C@@H](CNCC(=O)NC)C1 ZINC001447256150 891716269 /nfs/dbraw/zinc/71/62/69/891716269.db2.gz CJQXQFMGBOJZOL-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CN1C[C@@H](C(=O)NCC2(NCC(N)=O)CCC2)CC1=O ZINC001447198986 891716364 /nfs/dbraw/zinc/71/63/64/891716364.db2.gz LDUYDBYTBHJOFE-VIFPVBQESA-N 0 3 282.344 -1.422 20 0 CAADHN CC[C@H](OC)C(=O)N1CCO[C@H](CNCC(=O)NC)C1 ZINC001447256142 891717157 /nfs/dbraw/zinc/71/71/57/891717157.db2.gz CJQXQFMGBOJZOL-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN Cc1[nH]nc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)c1C ZINC001447258139 891717506 /nfs/dbraw/zinc/71/75/06/891717506.db2.gz FMNGGIOQMQGESN-JTQLQIEISA-N 0 3 295.343 -1.058 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2COC(=O)N2)CCC1 ZINC001447203253 891717658 /nfs/dbraw/zinc/71/76/58/891717658.db2.gz WVPRTFHISVZSAI-SSDOTTSWSA-N 0 3 270.289 -1.791 20 0 CAADHN CN1C[C@H](C(=O)NCC2(NCC(N)=O)CCC2)CC1=O ZINC001447198978 891717982 /nfs/dbraw/zinc/71/79/82/891717982.db2.gz LDUYDBYTBHJOFE-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCO1 ZINC001447264823 891718512 /nfs/dbraw/zinc/71/85/12/891718512.db2.gz JGHNOEAUXSZBLL-NXEZZACHSA-N 0 3 298.343 -2.185 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001447271443 891720183 /nfs/dbraw/zinc/72/01/83/891720183.db2.gz PRZCVHGFKCOAQT-ZETCQYMHSA-N 0 3 285.329 -1.546 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)no1 ZINC001447269327 891720643 /nfs/dbraw/zinc/72/06/43/891720643.db2.gz MHVVSMMWQHZNIO-VIFPVBQESA-N 0 3 282.300 -1.101 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001447271440 891720674 /nfs/dbraw/zinc/72/06/74/891720674.db2.gz PRZCVHGFKCOAQT-SSDOTTSWSA-N 0 3 285.329 -1.546 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2nc(C)c[nH]2)CCO1 ZINC001447289351 891720698 /nfs/dbraw/zinc/72/06/98/891720698.db2.gz MHSIMSJNFQKGDW-JTQLQIEISA-N 0 3 295.343 -1.105 20 0 CAADHN CCn1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)nn1 ZINC001447297979 891721556 /nfs/dbraw/zinc/72/15/56/891721556.db2.gz DELYJXBFJHNSEN-SECBINFHSA-N 0 3 296.331 -1.786 20 0 CAADHN Cn1cncc1CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001447316762 891721693 /nfs/dbraw/zinc/72/16/93/891721693.db2.gz YBAIDNDIZIFCBO-NSHDSACASA-N 0 3 295.343 -1.735 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cccnn2)CCO1 ZINC001447304790 891722460 /nfs/dbraw/zinc/72/24/60/891722460.db2.gz KZDOTNHZHQZJHX-SECBINFHSA-N 0 3 279.300 -1.608 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C1 ZINC001447358646 891725801 /nfs/dbraw/zinc/72/58/01/891725801.db2.gz DFOILSTUWOWXKD-WZRBSPASSA-N 0 3 295.343 -1.230 20 0 CAADHN C[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cn[n-]n2)C1 ZINC001447454572 891728343 /nfs/dbraw/zinc/72/83/43/891728343.db2.gz AWAKGKJKEYAAAI-SKDRFNHKSA-N 0 3 283.332 -1.258 20 0 CAADHN CNC(=O)CNCC1(NC(=O)c2cnon2)CCOCC1 ZINC001447497582 891730117 /nfs/dbraw/zinc/73/01/17/891730117.db2.gz KOXIQHNLCNFCKX-UHFFFAOYSA-N 0 3 297.315 -1.316 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)[C@H](C)OC)CC1 ZINC001447583383 891730446 /nfs/dbraw/zinc/73/04/46/891730446.db2.gz FVUPPYDDMYSFGJ-JTQLQIEISA-N 0 3 287.360 -1.290 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001447548357 891730676 /nfs/dbraw/zinc/73/06/76/891730676.db2.gz PGKXQAIOGHVIPK-UWVGGRQHSA-N 0 3 295.347 -1.754 20 0 CAADHN C[C@H]1CN(C(=O)c2cnco2)C[C@H]1NCC(=O)NC(N)=O ZINC001447542471 891730901 /nfs/dbraw/zinc/73/09/01/891730901.db2.gz IBILTRJRATZPPK-JGVFFNPUSA-N 0 3 295.299 -1.080 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CN(C(=O)COC)C[C@H]1C ZINC001447518027 891731489 /nfs/dbraw/zinc/73/14/89/891731489.db2.gz GODUOTQABSADLR-BDAKNGLRSA-N 0 3 286.332 -1.475 20 0 CAADHN CCOCC(=O)N1CCC(O)(CN[C@H](C)C(N)=O)CC1 ZINC001447590730 891731619 /nfs/dbraw/zinc/73/16/19/891731619.db2.gz SMDWLPVUVYSJTB-SNVBAGLBSA-N 0 3 287.360 -1.160 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2ncccn2)CCOCC1 ZINC001447499034 891732649 /nfs/dbraw/zinc/73/26/49/891732649.db2.gz PFHKRPZWQZAMGT-UHFFFAOYSA-N 0 3 293.327 -1.170 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001447534234 891732791 /nfs/dbraw/zinc/73/27/91/891732791.db2.gz DFBNWUAXIBXPOW-WPRPVWTQSA-N 0 3 284.360 -1.177 20 0 CAADHN Cn1ccc(C(=O)N2CCC(O)(CNCC(N)=O)CC2)n1 ZINC001447625046 891733695 /nfs/dbraw/zinc/73/36/95/891733695.db2.gz SQVZVSPABPRROZ-UHFFFAOYSA-N 0 3 295.343 -1.538 20 0 CAADHN O=C(Cn1cncn1)NC1(CO)CCN(CCO)CC1 ZINC001447739797 891738491 /nfs/dbraw/zinc/73/84/91/891738491.db2.gz SUJYYEYEFYODJF-UHFFFAOYSA-N 0 3 283.332 -1.787 20 0 CAADHN NC(=O)C[NH2+]CC1CC(NC(=O)CCc2nnc[n-]2)C1 ZINC001447789006 891738747 /nfs/dbraw/zinc/73/87/47/891738747.db2.gz WATLWFDWBHCZTN-UHFFFAOYSA-N 0 3 280.332 -1.293 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@H]1CN[C@H](C)C(N)=O ZINC001447731428 891738858 /nfs/dbraw/zinc/73/88/58/891738858.db2.gz NFLWGIBKQUVRHZ-KOLCDFICSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1ncccn1 ZINC001447889768 891740047 /nfs/dbraw/zinc/74/00/47/891740047.db2.gz DIJNAYCCCZAQCJ-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN COCCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(N)=O ZINC001447831179 891740227 /nfs/dbraw/zinc/74/02/27/891740227.db2.gz NTWBNKDRQFQQDZ-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN COCCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC(N)=O ZINC001447831181 891741012 /nfs/dbraw/zinc/74/10/12/891741012.db2.gz NTWBNKDRQFQQDZ-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001447840580 891741521 /nfs/dbraw/zinc/74/15/21/891741521.db2.gz VUSHDLXFMSLJHZ-HTQZYQBOSA-N 0 3 279.362 -1.740 20 0 CAADHN C[C@H]([NH2+]CC1CC(NC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001447818843 891741585 /nfs/dbraw/zinc/74/15/85/891741585.db2.gz DYSLSSPDQRFVCC-UEJVZZJDSA-N 0 3 280.332 -1.295 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CN1CCOCC1 ZINC001447856543 891742298 /nfs/dbraw/zinc/74/22/98/891742298.db2.gz QXCQTLPSNCOGSO-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cn2c(n1)COCC2 ZINC001447877297 891742498 /nfs/dbraw/zinc/74/24/98/891742498.db2.gz GXSFPEYQIZQLOB-RKDXNWHRSA-N 0 3 295.343 -1.005 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001447905569 891743701 /nfs/dbraw/zinc/74/37/01/891743701.db2.gz KAILSPCRKZUZPW-JGVFFNPUSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cccn(C)c1=O ZINC001447935866 891743864 /nfs/dbraw/zinc/74/38/64/891743864.db2.gz SXPVTFJYNJRYHQ-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cn(C)ccc1=O ZINC001447896955 891743900 /nfs/dbraw/zinc/74/39/00/891743900.db2.gz RFWUVHMDGBGPGW-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001447928560 891744021 /nfs/dbraw/zinc/74/40/21/891744021.db2.gz FNLRPEMXSNPUJQ-SFYZADRCSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1ccnc2n[nH]nc21 ZINC001447903836 891744432 /nfs/dbraw/zinc/74/44/32/891744432.db2.gz VNMNDRFSYSHBDJ-BQBZGAKWSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001447895005 891744765 /nfs/dbraw/zinc/74/47/65/891744765.db2.gz ZDFMGCBGEXSMMX-HTQZYQBOSA-N 0 3 284.320 -2.450 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001447930807 891744902 /nfs/dbraw/zinc/74/49/02/891744902.db2.gz HALYGBXGJKVGEA-BQBZGAKWSA-N 0 3 280.350 -2.496 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001447926564 891745027 /nfs/dbraw/zinc/74/50/27/891745027.db2.gz BZWDHTINDBKQOQ-JGVFFNPUSA-N 0 3 294.377 -2.236 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1ccnc2n[nH]nc21 ZINC001447903845 891745164 /nfs/dbraw/zinc/74/51/64/891745164.db2.gz VNMNDRFSYSHBDJ-RQJHMYQMSA-N 0 3 291.315 -1.065 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001447930850 891745248 /nfs/dbraw/zinc/74/52/48/891745248.db2.gz HALYGBXGJKVGEA-NKWVEPMBSA-N 0 3 280.350 -2.496 20 0 CAADHN CCCC[C@H](CNCC(N)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001448251602 891757247 /nfs/dbraw/zinc/75/72/47/891757247.db2.gz QXARBIDSBKNHFX-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCCC[C@@H](CNCC(N)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001448251607 891757302 /nfs/dbraw/zinc/75/73/02/891757302.db2.gz QXARBIDSBKNHFX-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)C1CN(CCCO)C1 ZINC001448361476 891760959 /nfs/dbraw/zinc/76/09/59/891760959.db2.gz PMCPUWRLLTVGGR-SECBINFHSA-N 0 3 293.389 -1.646 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001448479281 891763147 /nfs/dbraw/zinc/76/31/47/891763147.db2.gz ZEYHALODOSTZQB-IUCAKERBSA-N 0 3 297.319 -2.636 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001448468754 891764472 /nfs/dbraw/zinc/76/44/72/891764472.db2.gz YSHJFGZTMLZWNH-ONGXEEELSA-N 0 3 295.343 -1.276 20 0 CAADHN Cc1nonc1C(=O)N1CCO[C@@H]([C@@H](C)NCC(N)=O)C1 ZINC001448466275 891764700 /nfs/dbraw/zinc/76/47/00/891764700.db2.gz RZDNWJOCZLLBSV-VXNVDRBHSA-N 0 3 297.315 -1.318 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001448468561 891764847 /nfs/dbraw/zinc/76/48/47/891764847.db2.gz YSHJFGZTMLZWNH-GXSJLCMTSA-N 0 3 295.343 -1.276 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O ZINC001448633429 891765975 /nfs/dbraw/zinc/76/59/75/891765975.db2.gz DELZJLBHNZYGMV-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CN1CCCC1=O)C(N)=O ZINC001448629703 891766011 /nfs/dbraw/zinc/76/60/11/891766011.db2.gz HINQYRSYZBQQOZ-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001448633202 891766257 /nfs/dbraw/zinc/76/62/57/891766257.db2.gz OETZARMAZMWDDO-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@@H](NC[C@@H](C1CC1)N(C)C(=O)CCNC(N)=O)C(N)=O ZINC001448620523 891766350 /nfs/dbraw/zinc/76/63/50/891766350.db2.gz SYMYDJPSZQVQNP-SCZZXKLOSA-N 0 3 299.375 -1.255 20 0 CAADHN C[C@@H](NC[C@@H](C1CC1)N(C)C(=O)Cn1cncn1)C(N)=O ZINC001448613932 891766468 /nfs/dbraw/zinc/76/64/68/891766468.db2.gz FSQHPEFYZXRGDF-KOLCDFICSA-N 0 3 294.359 -1.022 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001448576927 891767079 /nfs/dbraw/zinc/76/70/79/891767079.db2.gz CKACQFCJWDAOFG-KCJUWKMLSA-N 0 3 284.360 -1.177 20 0 CAADHN CCOCC(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O ZINC001448619063 891767158 /nfs/dbraw/zinc/76/71/58/891767158.db2.gz AWICBDIGILSVRT-QMMMGPOBSA-N 0 3 274.321 -1.346 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1COCCO1 ZINC001448632596 891767182 /nfs/dbraw/zinc/76/71/82/891767182.db2.gz PRNCUEZARDTXKA-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001448627264 891767700 /nfs/dbraw/zinc/76/77/00/891767700.db2.gz FLUPIZSFGAQCIR-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cnnn1)NCC(=O)NC1CC1 ZINC001448636515 891767631 /nfs/dbraw/zinc/76/76/31/891767631.db2.gz SZZUDMGJQQQDMI-VIFPVBQESA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncnn1)N[C@@H]1CCNC1=O ZINC001448655943 891767648 /nfs/dbraw/zinc/76/76/48/891767648.db2.gz NQEFDNAUIRICSF-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CNC(=O)C1CC1)C(N)=O ZINC001448634529 891767764 /nfs/dbraw/zinc/76/77/64/891767764.db2.gz SOPARXFPFKMSAW-DTWKUNHWSA-N 0 3 284.360 -1.177 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001448643819 891767844 /nfs/dbraw/zinc/76/78/44/891767844.db2.gz AHALEOUSQFRZIV-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)N[C@H](C)C(N)=O ZINC001448634532 891768046 /nfs/dbraw/zinc/76/80/46/891768046.db2.gz SOPARXFPFKMSAW-RKDXNWHRSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(=O)N(C)[C@H](CNCC(=O)N1CCNC(=O)C1)C1CC1 ZINC001448581798 891768100 /nfs/dbraw/zinc/76/81/00/891768100.db2.gz LNIJVGTTXKRXNA-GFCCVEGCSA-N 0 3 296.371 -1.209 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1COCCO1 ZINC001448632594 891768115 /nfs/dbraw/zinc/76/81/15/891768115.db2.gz PRNCUEZARDTXKA-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NC[C@H](C1CC1)N(C)C(=O)Cn1cncn1)C(N)=O ZINC001448613934 891768165 /nfs/dbraw/zinc/76/81/65/891768165.db2.gz FSQHPEFYZXRGDF-MWLCHTKSSA-N 0 3 294.359 -1.022 20 0 CAADHN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)N[C@@H](C)C(N)=O ZINC001448634530 891768496 /nfs/dbraw/zinc/76/84/96/891768496.db2.gz SOPARXFPFKMSAW-IUCAKERBSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)NCC(N)=O ZINC001448723004 891769727 /nfs/dbraw/zinc/76/97/27/891769727.db2.gz AHUBAECCRMDXBM-BQBZGAKWSA-N 0 3 285.304 -2.494 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001448663880 891769821 /nfs/dbraw/zinc/76/98/21/891769821.db2.gz ROELRRDBFCOYQK-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)NCC(N)=O ZINC001448718563 891770021 /nfs/dbraw/zinc/77/00/21/891770021.db2.gz MDNRKNWSLDXWFD-SECBINFHSA-N 0 3 285.348 -2.660 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)NCC(N)=O ZINC001448710531 891770005 /nfs/dbraw/zinc/77/00/05/891770005.db2.gz OFLFVMAWAJYQFO-RKDXNWHRSA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@H](CN(C)C(=O)c1cccn2nnnc12)NCC(N)=O ZINC001448671278 891770073 /nfs/dbraw/zinc/77/00/73/891770073.db2.gz NXDPEBQYPZOGJP-MRVPVSSYSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cccn2nnnc12)NCC(N)=O ZINC001448671287 891770866 /nfs/dbraw/zinc/77/08/66/891770866.db2.gz NXDPEBQYPZOGJP-QMMMGPOBSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)NCC(N)=O ZINC001448698329 891771327 /nfs/dbraw/zinc/77/13/27/891771327.db2.gz MSJKEYROOMKFPA-QMMMGPOBSA-N 0 3 284.320 -2.496 20 0 CAADHN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)NCC(N)=O ZINC001448716813 891771458 /nfs/dbraw/zinc/77/14/58/891771458.db2.gz XPJQPPTUJPKZNC-PELKAZGASA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnn(C)n1)N[C@H]1CCNC1=O ZINC001448753691 891773121 /nfs/dbraw/zinc/77/31/21/891773121.db2.gz KKVHERBSUCAVMQ-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CN(C)C(=O)CCNC(N)=O)N[C@H](C)C(N)=O ZINC001448768788 891773446 /nfs/dbraw/zinc/77/34/46/891773446.db2.gz GDHYPNGBUHSWCW-HTQZYQBOSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)N[C@@H](C)C(N)=O ZINC001448768876 891773699 /nfs/dbraw/zinc/77/36/99/891773699.db2.gz GDHYPNGBUHSWCW-YUMQZZPRSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@@H](CN(C)C(=O)Cc1ncc[nH]1)NCC(=O)NC(N)=O ZINC001448750048 891773823 /nfs/dbraw/zinc/77/38/23/891773823.db2.gz LRPRCXVPSKOMLS-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CCNC(N)=O)C(N)=O ZINC001448768863 891774083 /nfs/dbraw/zinc/77/40/83/891774083.db2.gz GDHYPNGBUHSWCW-JGVFFNPUSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@H](CN(C)C(=O)COCc1nncn1C)NCC(N)=O ZINC001448762772 891774134 /nfs/dbraw/zinc/77/41/34/891774134.db2.gz NOANZBDUGFCVAT-SECBINFHSA-N 0 3 298.347 -1.747 20 0 CAADHN C[C@@H](CN(C)C(=O)COCc1nncn1C)NCC(N)=O ZINC001448762884 891774469 /nfs/dbraw/zinc/77/44/69/891774469.db2.gz NOANZBDUGFCVAT-VIFPVBQESA-N 0 3 298.347 -1.747 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnn(C)n1)N[C@@H]1CCNC1=O ZINC001448753690 891774660 /nfs/dbraw/zinc/77/46/60/891774660.db2.gz KKVHERBSUCAVMQ-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1ccn[nH]1 ZINC001448826865 891783701 /nfs/dbraw/zinc/78/37/01/891783701.db2.gz ZTQMGAADQCWKDF-VIFPVBQESA-N 0 3 279.304 -1.618 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@H]1CCOC1 ZINC001448823748 891784985 /nfs/dbraw/zinc/78/49/85/891784985.db2.gz JKHHRVWMXMCFTF-WDEREUQCSA-N 0 3 283.332 -1.619 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@H]1CCOC1 ZINC001448823739 891785099 /nfs/dbraw/zinc/78/50/99/891785099.db2.gz JKHHRVWMXMCFTF-QWRGUYRKSA-N 0 3 283.332 -1.619 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](CO)NCCn2cncn2)c1 ZINC001448831228 891789242 /nfs/dbraw/zinc/78/92/42/891789242.db2.gz IHYAZGKHWWUNGY-GFCCVEGCSA-N 0 3 292.343 -1.003 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](CO)NCCn2cncn2)c1 ZINC001448831295 891789431 /nfs/dbraw/zinc/78/94/31/891789431.db2.gz IHYAZGKHWWUNGY-LBPRGKRZSA-N 0 3 292.343 -1.003 20 0 CAADHN CC(C)N1CCC[C@H]1C(=O)NC[C@@H](CO)NCC(N)=O ZINC001448846636 891796666 /nfs/dbraw/zinc/79/66/66/891796666.db2.gz SBRFOGWFGFEZAQ-QWRGUYRKSA-N 0 3 286.376 -1.589 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)c1cnco1 ZINC001448875404 891797766 /nfs/dbraw/zinc/79/77/66/891797766.db2.gz LDEULXRQVJHGOD-VIFPVBQESA-N 0 3 297.315 -1.620 20 0 CAADHN COC1CC(C(=O)NC[C@H](CO)NCCn2cncn2)C1 ZINC001448864739 891798823 /nfs/dbraw/zinc/79/88/23/891798823.db2.gz NRRUIXFSKJGTJY-MOENNCHZSA-N 0 3 297.359 -1.230 20 0 CAADHN COC1CC(C(=O)NC[C@@H](CO)NCCn2cncn2)C1 ZINC001448864738 891799145 /nfs/dbraw/zinc/79/91/45/891799145.db2.gz NRRUIXFSKJGTJY-CXQJBGSLSA-N 0 3 297.359 -1.230 20 0 CAADHN O=C(NC[C@@H](CO)NCc1ccccc1)[C@H]1CNC(=O)N1 ZINC001448893267 891803228 /nfs/dbraw/zinc/80/32/28/891803228.db2.gz VFQDNQOCNKHUFS-NWDGAFQWSA-N 0 3 292.339 -1.065 20 0 CAADHN O=C(NC[C@H](CO)NCc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001448893265 891804327 /nfs/dbraw/zinc/80/43/27/891804327.db2.gz VFQDNQOCNKHUFS-NEPJUHHUSA-N 0 3 292.339 -1.065 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@H](CO)[NH2+]Cc1cnn(C)c1 ZINC001448898035 891805676 /nfs/dbraw/zinc/80/56/76/891805676.db2.gz YNQHDZUHTFRRHG-SNVBAGLBSA-N 0 3 293.331 -1.273 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NCc1cnn(C)n1)N(C)C ZINC001448910149 891808692 /nfs/dbraw/zinc/80/86/92/891808692.db2.gz PAMAOMFXDWEHNT-RYUDHWBXSA-N 0 3 298.391 -1.278 20 0 CAADHN CS(=O)(=O)C1(C(=O)NC[C@H](CO)NCCO)CCC1 ZINC001448916731 891811535 /nfs/dbraw/zinc/81/15/35/891811535.db2.gz GSHIKHZMBQVTNR-SECBINFHSA-N 0 3 294.373 -1.987 20 0 CAADHN CNC(=O)NCC(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001448926359 891812291 /nfs/dbraw/zinc/81/22/91/891812291.db2.gz FYIYJQNQVYDVMA-UHFFFAOYSA-N 0 3 299.375 -1.414 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@@H](CO)NCCF)C1 ZINC001448952695 891815419 /nfs/dbraw/zinc/81/54/19/891815419.db2.gz OOABDGHREDBRFZ-QWRGUYRKSA-N 0 3 277.340 -1.257 20 0 CAADHN Cc1nnc(CN[C@H](CO)CNC(=O)CN2CCCC2)[nH]1 ZINC001448954796 891816816 /nfs/dbraw/zinc/81/68/16/891816816.db2.gz OHVGNVLIJLLIKF-NSHDSACASA-N 0 3 296.375 -1.224 20 0 CAADHN O=C(Cc1ccc[nH]1)NC[C@@H](CO)NCCn1cncn1 ZINC001448957056 891816914 /nfs/dbraw/zinc/81/69/14/891816914.db2.gz WOSLQCDZHKCZAF-LBPRGKRZSA-N 0 3 292.343 -1.084 20 0 CAADHN CC(=O)N(C)C[C@H](O)CNCC(=O)N1CCOCC1 ZINC001449078993 891818442 /nfs/dbraw/zinc/81/84/42/891818442.db2.gz KPFQESKUYKSHHJ-LLVKDONJSA-N 0 3 273.333 -1.726 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001448981008 891818892 /nfs/dbraw/zinc/81/88/92/891818892.db2.gz OMMNYEIUZVDLEG-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)Cn1cnnn1 ZINC001448979230 891819110 /nfs/dbraw/zinc/81/91/10/891819110.db2.gz IRVPMNSAVYUFJI-NXEZZACHSA-N 0 3 295.347 -1.660 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001449063114 891819332 /nfs/dbraw/zinc/81/93/32/891819332.db2.gz QPPQYGHKRXBUKX-BDAKNGLRSA-N 0 3 283.332 -1.415 20 0 CAADHN CC[C@H](C(=O)NCCN(C)C(=O)Cn1cnnn1)N(C)C ZINC001449046049 891819833 /nfs/dbraw/zinc/81/98/33/891819833.db2.gz AVHLLHMACCBFTN-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001449063119 891820057 /nfs/dbraw/zinc/82/00/57/891820057.db2.gz QPPQYGHKRXBUKX-RKDXNWHRSA-N 0 3 283.332 -1.415 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)Cn2cnnn2)CC1(C)C ZINC001449065406 891820139 /nfs/dbraw/zinc/82/01/39/891820139.db2.gz CVXMWLPAXQKJOR-VIFPVBQESA-N 0 3 295.347 -1.754 20 0 CAADHN COC(=O)NCC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001448976626 891820263 /nfs/dbraw/zinc/82/02/63/891820263.db2.gz FIODWDAAJPKEQY-JGVFFNPUSA-N 0 3 272.305 -1.593 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001448983153 891820286 /nfs/dbraw/zinc/82/02/86/891820286.db2.gz YUTSLHOUAVEEQV-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001449066775 891820332 /nfs/dbraw/zinc/82/03/32/891820332.db2.gz WYAOKPAJUVCWFY-UWVGGRQHSA-N 0 3 294.359 -1.032 20 0 CAADHN CCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001449083253 891820491 /nfs/dbraw/zinc/82/04/91/891820491.db2.gz OKQWJRYBEJIERW-YUMQZZPRSA-N 0 3 274.321 -1.611 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001449066778 891820683 /nfs/dbraw/zinc/82/06/83/891820683.db2.gz WYAOKPAJUVCWFY-VHSXEESVSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)Cn1cnnn1 ZINC001448979235 891820866 /nfs/dbraw/zinc/82/08/66/891820866.db2.gz IRVPMNSAVYUFJI-ZJUUUORDSA-N 0 3 295.347 -1.660 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNCC(=O)N1CCC1 ZINC001449078858 891820954 /nfs/dbraw/zinc/82/09/54/891820954.db2.gz KDZHCOJBXAANJB-SNVBAGLBSA-N 0 3 273.333 -1.726 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2cnnn2C)C1 ZINC001449001585 891821163 /nfs/dbraw/zinc/82/11/63/891821163.db2.gz PMHRXWJJENXMDM-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN COC(=O)NCC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001448976628 891821229 /nfs/dbraw/zinc/82/12/29/891821229.db2.gz FIODWDAAJPKEQY-SFYZADRCSA-N 0 3 272.305 -1.593 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)c1ncc[nH]1 ZINC001448987011 891821346 /nfs/dbraw/zinc/82/13/46/891821346.db2.gz RGNWIGSWDYWGBD-SFYZADRCSA-N 0 3 294.315 -1.203 20 0 CAADHN CC[C@H](C(=O)NCCN(C)C(=O)c1nnn(C)n1)N(C)C ZINC001448982520 891821745 /nfs/dbraw/zinc/82/17/45/891821745.db2.gz XVBWVWJSTKMYOW-SECBINFHSA-N 0 3 297.363 -1.262 20 0 CAADHN Cc1cc(CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)no1 ZINC001449106077 891822578 /nfs/dbraw/zinc/82/25/78/891822578.db2.gz FIORHTRGMFIXHF-GXSJLCMTSA-N 0 3 298.343 -1.192 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001449110829 891822603 /nfs/dbraw/zinc/82/26/03/891822603.db2.gz JYSVFASKERANQO-MRVPVSSYSA-N 0 3 274.321 -2.593 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(=O)NC1CC1 ZINC001449090359 891823343 /nfs/dbraw/zinc/82/33/43/891823343.db2.gz YILANTLRISJZNR-KOLCDFICSA-N 0 3 287.360 -1.291 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cc1ccon1 ZINC001449102149 891823859 /nfs/dbraw/zinc/82/38/59/891823859.db2.gz NGPIXWJSIQTMOS-VIFPVBQESA-N 0 3 270.289 -1.889 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(=O)NC1CC1 ZINC001449090354 891823952 /nfs/dbraw/zinc/82/39/52/891823952.db2.gz YILANTLRISJZNR-GXSJLCMTSA-N 0 3 287.360 -1.291 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)CNC(C)=O)C(N)=O ZINC001449103673 891823990 /nfs/dbraw/zinc/82/39/90/891823990.db2.gz PUZLMICDHSSRDQ-NXEZZACHSA-N 0 3 288.348 -2.205 20 0 CAADHN Cc1cnc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001449100144 891824027 /nfs/dbraw/zinc/82/40/27/891824027.db2.gz IQSYWCQAUJLJGX-NXEZZACHSA-N 0 3 295.343 -1.319 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)[nH]n1 ZINC001449090595 891824179 /nfs/dbraw/zinc/82/41/79/891824179.db2.gz DUOTZCPCUGTKCP-BDAKNGLRSA-N 0 3 283.332 -1.386 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(=O)NC1CC1 ZINC001449090364 891824372 /nfs/dbraw/zinc/82/43/72/891824372.db2.gz YILANTLRISJZNR-ONGXEEELSA-N 0 3 287.360 -1.291 20 0 CAADHN Cc1nscc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001449109776 891824473 /nfs/dbraw/zinc/82/44/73/891824473.db2.gz JPVJQHAYZUDBMF-QMMMGPOBSA-N 0 3 286.357 -1.041 20 0 CAADHN Cc1noc(C)c1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001449094424 891824538 /nfs/dbraw/zinc/82/45/38/891824538.db2.gz ROKUPKCVBTYKKK-SECBINFHSA-N 0 3 284.316 -1.201 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1cccn1 ZINC001449097066 891824633 /nfs/dbraw/zinc/82/46/33/891824633.db2.gz SGWLNAJOHHGRRI-UWVGGRQHSA-N 0 3 283.332 -1.662 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001449101633 891825199 /nfs/dbraw/zinc/82/51/99/891825199.db2.gz LYRJCOVMTCOYRP-DTWKUNHWSA-N 0 3 296.327 -1.317 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@H]2CCNC2=O)[nH]n1 ZINC001449090811 891825535 /nfs/dbraw/zinc/82/55/35/891825535.db2.gz FCEIIGGJZMXTHD-UWVGGRQHSA-N 0 3 295.343 -1.371 20 0 CAADHN Cc1cc(CC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)no1 ZINC001449106089 891825712 /nfs/dbraw/zinc/82/57/12/891825712.db2.gz FIORHTRGMFIXHF-MWLCHTKSSA-N 0 3 298.343 -1.192 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1COCCO1 ZINC001449107409 891825861 /nfs/dbraw/zinc/82/58/61/891825861.db2.gz BFFBIMQHBLYIGG-BDAKNGLRSA-N 0 3 275.305 -2.704 20 0 CAADHN Cc1cnc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001449100151 891825938 /nfs/dbraw/zinc/82/59/38/891825938.db2.gz IQSYWCQAUJLJGX-UWVGGRQHSA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001449093719 891826029 /nfs/dbraw/zinc/82/60/29/891826029.db2.gz PHMRHVUOVOTRFE-QMMMGPOBSA-N 0 3 285.308 -3.172 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)CNC(C)=O)C(N)=O ZINC001449103681 891826186 /nfs/dbraw/zinc/82/61/86/891826186.db2.gz PUZLMICDHSSRDQ-UWVGGRQHSA-N 0 3 288.348 -2.205 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001449109337 891826302 /nfs/dbraw/zinc/82/63/02/891826302.db2.gz CZOAYNHTEWJUME-JTQLQIEISA-N 0 3 297.359 -1.090 20 0 CAADHN Cc1cnc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001449100152 891826396 /nfs/dbraw/zinc/82/63/96/891826396.db2.gz IQSYWCQAUJLJGX-VHSXEESVSA-N 0 3 295.343 -1.319 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CCC(=O)N1 ZINC001449117428 891827894 /nfs/dbraw/zinc/82/78/94/891827894.db2.gz RWKKKXGQKJTHCK-HTQZYQBOSA-N 0 3 272.305 -2.841 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC1(F)F ZINC001449127475 891827919 /nfs/dbraw/zinc/82/79/19/891827919.db2.gz QFBZLDKDVWMBDB-SFYZADRCSA-N 0 3 279.287 -1.204 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001449123222 891828206 /nfs/dbraw/zinc/82/82/06/891828206.db2.gz PFDMXILMDROQLK-RKDXNWHRSA-N 0 3 298.347 -2.028 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001449116020 891828246 /nfs/dbraw/zinc/82/82/46/891828246.db2.gz LACNMKHLTALPBE-UWVGGRQHSA-N 0 3 289.332 -2.443 20 0 CAADHN CSC[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001449117596 891828373 /nfs/dbraw/zinc/82/83/73/891828373.db2.gz SCZJGFIUCDTGEX-RKDXNWHRSA-N 0 3 277.390 -1.120 20 0 CAADHN COC[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001449123478 891828882 /nfs/dbraw/zinc/82/88/82/891828882.db2.gz YSMZPRUGYRAMPZ-MNOVXSKESA-N 0 3 289.376 -1.234 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnnc(C)c1 ZINC001449120014 891829024 /nfs/dbraw/zinc/82/90/24/891829024.db2.gz YQAIPBOWPLHDRO-LLVKDONJSA-N 0 3 295.343 -1.446 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001449129766 891829271 /nfs/dbraw/zinc/82/92/71/891829271.db2.gz SHAMFEDIKPXUOP-VIFPVBQESA-N 0 3 283.332 -1.432 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC1(F)F ZINC001449127456 891829741 /nfs/dbraw/zinc/82/97/41/891829741.db2.gz QFBZLDKDVWMBDB-HTQZYQBOSA-N 0 3 279.287 -1.204 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001449127947 891829903 /nfs/dbraw/zinc/82/99/03/891829903.db2.gz XLTITGRGZFKMDD-VIFPVBQESA-N 0 3 274.321 -2.641 20 0 CAADHN Cc1ccc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)nn1 ZINC001449129752 891830182 /nfs/dbraw/zinc/83/01/82/891830182.db2.gz SGBOAOLDDKBRFT-ZJUUUORDSA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)CC(C)(C)O ZINC001449116112 891830251 /nfs/dbraw/zinc/83/02/51/891830251.db2.gz HFMAWFABFAOZIX-ZJUUUORDSA-N 0 3 289.376 -1.309 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1ncc[nH]1 ZINC001449114904 891830339 /nfs/dbraw/zinc/83/03/39/891830339.db2.gz BGHWSFXFXLQWMN-BDAKNGLRSA-N 0 3 281.316 -1.679 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)CC(C)(C)O ZINC001449116098 891830474 /nfs/dbraw/zinc/83/04/74/891830474.db2.gz HFMAWFABFAOZIX-UWVGGRQHSA-N 0 3 289.376 -1.309 20 0 CAADHN COC[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001449123484 891830633 /nfs/dbraw/zinc/83/06/33/891830633.db2.gz YSMZPRUGYRAMPZ-QWRGUYRKSA-N 0 3 289.376 -1.234 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1ncc[nH]1 ZINC001449114909 891830824 /nfs/dbraw/zinc/83/08/24/891830824.db2.gz BGHWSFXFXLQWMN-IUCAKERBSA-N 0 3 281.316 -1.679 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CCn1cncn1 ZINC001449128765 891830878 /nfs/dbraw/zinc/83/08/78/891830878.db2.gz YCSOPFGHKMKDSV-JTQLQIEISA-N 0 3 298.347 -2.177 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@]1(C)CCOC1 ZINC001449158248 891832850 /nfs/dbraw/zinc/83/28/50/891832850.db2.gz DSNPIONTQBCVFV-BXKDBHETSA-N 0 3 273.333 -1.693 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cc(C2CC2)n[nH]1 ZINC001449145198 891833254 /nfs/dbraw/zinc/83/32/54/891833254.db2.gz JDJTYYZLSVSLLF-VIFPVBQESA-N 0 3 295.343 -1.205 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@]1(C)CCOC1 ZINC001449158403 891833297 /nfs/dbraw/zinc/83/32/97/891833297.db2.gz DSNPIONTQBCVFV-JOYOIKCWSA-N 0 3 273.333 -1.693 20 0 CAADHN COCc1ccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)o1 ZINC001449139575 891833314 /nfs/dbraw/zinc/83/33/14/891833314.db2.gz CRNUHSAEDULVEN-SECBINFHSA-N 0 3 299.327 -1.066 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cnon1)C(N)=O ZINC001449157427 891833392 /nfs/dbraw/zinc/83/33/92/891833392.db2.gz CHNZUFAGEGKBJM-SFYZADRCSA-N 0 3 285.304 -1.644 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001449141208 891833421 /nfs/dbraw/zinc/83/34/21/891833421.db2.gz ZXHXGISFOHBUFN-BDAKNGLRSA-N 0 3 286.332 -2.593 20 0 CAADHN COc1nccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001449139662 891833608 /nfs/dbraw/zinc/83/36/08/891833608.db2.gz DFJJJRMVEXZDEB-MRVPVSSYSA-N 0 3 297.315 -2.007 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cc1ccc(F)cn1 ZINC001449140984 891833739 /nfs/dbraw/zinc/83/37/39/891833739.db2.gz ZMSABNKJOWVDSJ-NSHDSACASA-N 0 3 298.318 -1.343 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cnon1)C(N)=O ZINC001449157430 891834096 /nfs/dbraw/zinc/83/40/96/891834096.db2.gz CHNZUFAGEGKBJM-YUMQZZPRSA-N 0 3 285.304 -1.644 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@]1(C)CCOC1 ZINC001449158437 891834204 /nfs/dbraw/zinc/83/42/04/891834204.db2.gz DSNPIONTQBCVFV-SKDRFNHKSA-N 0 3 273.333 -1.693 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nc(C)c[nH]1 ZINC001449151380 891834422 /nfs/dbraw/zinc/83/44/22/891834422.db2.gz SUCZSOMDURGGQC-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN COc1nccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001449139664 891834467 /nfs/dbraw/zinc/83/44/67/891834467.db2.gz DFJJJRMVEXZDEB-QMMMGPOBSA-N 0 3 297.315 -2.007 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001449139859 891834495 /nfs/dbraw/zinc/83/44/95/891834495.db2.gz PMMFINUQCKHAAQ-ONGXEEELSA-N 0 3 298.343 -1.240 20 0 CAADHN COCC1(C(=O)N(C)C[C@H](O)CNCC(N)=O)CCC1 ZINC001449144317 891835000 /nfs/dbraw/zinc/83/50/00/891835000.db2.gz YAYRLWYHGVCPGX-SNVBAGLBSA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001449188387 891835835 /nfs/dbraw/zinc/83/58/35/891835835.db2.gz SERXZCGLAXNOOK-VIFPVBQESA-N 0 3 284.320 -2.567 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001449161058 891835929 /nfs/dbraw/zinc/83/59/29/891835929.db2.gz YMLRWFHQJMMXTD-HTQZYQBOSA-N 0 3 299.335 -2.633 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001449174060 891836092 /nfs/dbraw/zinc/83/60/92/891836092.db2.gz JLDKEJNYSQMPAQ-SNVBAGLBSA-N 0 3 283.332 -1.962 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnon1 ZINC001449160682 891836181 /nfs/dbraw/zinc/83/61/81/891836181.db2.gz IHSYGDJBPADECX-SFYZADRCSA-N 0 3 283.288 -2.019 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cn1cncn1)C(N)=O ZINC001449174709 891837055 /nfs/dbraw/zinc/83/70/55/891837055.db2.gz DOCPGIRCCXCZRT-RKDXNWHRSA-N 0 3 284.320 -2.439 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CN(C)CCN1CCNC1=O ZINC001449169966 891837158 /nfs/dbraw/zinc/83/71/58/891837158.db2.gz ASVOMQRFPPWNJQ-NSHDSACASA-N 0 3 272.349 -1.217 20 0 CAADHN Cc1conc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001449168325 891837190 /nfs/dbraw/zinc/83/71/90/891837190.db2.gz UCMOLAYQHWABRH-QMMMGPOBSA-N 0 3 270.289 -1.509 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1cncn1C)C(N)=O ZINC001449166548 891837473 /nfs/dbraw/zinc/83/74/73/891837473.db2.gz XLJIIABMKIFPCW-MWLCHTKSSA-N 0 3 297.359 -1.755 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001449190035 891837535 /nfs/dbraw/zinc/83/75/35/891837535.db2.gz VDLDXTMNXSMWNH-UWVGGRQHSA-N 0 3 298.347 -2.179 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001449190037 891837870 /nfs/dbraw/zinc/83/78/70/891837870.db2.gz VDLDXTMNXSMWNH-VHSXEESVSA-N 0 3 298.347 -2.179 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1nonc1C)C(N)=O ZINC001449178515 891838222 /nfs/dbraw/zinc/83/82/22/891838222.db2.gz VVXKNCOUISGJRE-DTWKUNHWSA-N 0 3 299.331 -1.336 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001449164832 891838833 /nfs/dbraw/zinc/83/88/33/891838833.db2.gz NQJOBRCXTLUWKF-UWVGGRQHSA-N 0 3 295.343 -1.366 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001449190042 891838865 /nfs/dbraw/zinc/83/88/65/891838865.db2.gz VDLDXTMNXSMWNH-ZJUUUORDSA-N 0 3 298.347 -2.179 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001449161071 891838909 /nfs/dbraw/zinc/83/89/09/891838909.db2.gz YMLRWFHQJMMXTD-YUMQZZPRSA-N 0 3 299.335 -2.633 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cn1cncn1)C(N)=O ZINC001449174705 891838998 /nfs/dbraw/zinc/83/89/98/891838998.db2.gz DOCPGIRCCXCZRT-DTWKUNHWSA-N 0 3 284.320 -2.439 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cc1cncn1C)C(N)=O ZINC001449166549 891839050 /nfs/dbraw/zinc/83/90/50/891839050.db2.gz XLJIIABMKIFPCW-ONGXEEELSA-N 0 3 297.359 -1.755 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001449164835 891839078 /nfs/dbraw/zinc/83/90/78/891839078.db2.gz NQJOBRCXTLUWKF-VHSXEESVSA-N 0 3 295.343 -1.366 20 0 CAADHN CCn1ncc(C(=O)N(C)C[C@@H](O)CN(C)CCO)n1 ZINC001449191767 891839808 /nfs/dbraw/zinc/83/98/08/891839808.db2.gz QNQQKCLPSVJQKW-JTQLQIEISA-N 0 3 285.348 -1.345 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001449172804 891839855 /nfs/dbraw/zinc/83/98/55/891839855.db2.gz BJDDMLHWOHLGLV-NXEZZACHSA-N 0 3 296.331 -2.425 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1cnon1 ZINC001449160547 891839875 /nfs/dbraw/zinc/83/98/75/891839875.db2.gz HSOBZZGUFNJKBG-RKDXNWHRSA-N 0 3 297.315 -1.677 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001449164878 891840096 /nfs/dbraw/zinc/84/00/96/891840096.db2.gz NSNHHVHTALBEHJ-VIFPVBQESA-N 0 3 299.335 -2.782 20 0 CAADHN CC(C)N(C)CC(=O)N(C)C[C@@H](O)CN(C)CC(N)=O ZINC001449230618 891843014 /nfs/dbraw/zinc/84/30/14/891843014.db2.gz DNMSHSBZWOUEDW-NSHDSACASA-N 0 3 288.392 -1.437 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001449193299 891845354 /nfs/dbraw/zinc/84/53/54/891845354.db2.gz QXJFSPGTILABLC-NSHDSACASA-N 0 3 297.359 -1.654 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001449212348 891845409 /nfs/dbraw/zinc/84/54/09/891845409.db2.gz JVICJMMVPXFKLO-VIFPVBQESA-N 0 3 298.343 -1.529 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001449207809 891846062 /nfs/dbraw/zinc/84/60/62/891846062.db2.gz CAZFQSNVEHRJDH-NXEZZACHSA-N 0 3 288.348 -1.935 20 0 CAADHN CNC(=O)CNC1CC(N(C)C(=O)CS(C)(=O)=O)C1 ZINC001449368959 891846798 /nfs/dbraw/zinc/84/67/98/891846798.db2.gz BJNBZISAXUGQEQ-UHFFFAOYSA-N 0 3 291.373 -1.644 20 0 CAADHN C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449253579 891847693 /nfs/dbraw/zinc/84/76/93/891847693.db2.gz PDSDLLJFKORNGF-BDAKNGLRSA-N 0 3 271.321 -1.450 20 0 CAADHN C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449253579 891847704 /nfs/dbraw/zinc/84/77/04/891847704.db2.gz PDSDLLJFKORNGF-BDAKNGLRSA-N 0 3 271.321 -1.450 20 0 CAADHN CC(C)N(CCN(C)CCO)C(=O)c1nnn(C)n1 ZINC001449265475 891848793 /nfs/dbraw/zinc/84/87/93/891848793.db2.gz JGJCRHVFCOFTTP-UHFFFAOYSA-N 0 3 270.337 -1.015 20 0 CAADHN C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449253581 891848932 /nfs/dbraw/zinc/84/89/32/891848932.db2.gz PDSDLLJFKORNGF-DTWKUNHWSA-N 0 3 271.321 -1.450 20 0 CAADHN C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449253581 891848941 /nfs/dbraw/zinc/84/89/41/891848941.db2.gz PDSDLLJFKORNGF-DTWKUNHWSA-N 0 3 271.321 -1.450 20 0 CAADHN COCCN(CCNC(=O)[C@H]1CNC(=O)N1)C[C@H](C)O ZINC001449342691 891850977 /nfs/dbraw/zinc/85/09/77/891850977.db2.gz MTALEROEUJSEMW-VHSXEESVSA-N 0 3 288.348 -1.887 20 0 CAADHN O=C(Cn1ncn2nccc2c1=O)N1CCN2CC[C@H]1C2 ZINC001449810877 891859282 /nfs/dbraw/zinc/85/92/82/891859282.db2.gz AXKFPLJMIDWXPI-JTQLQIEISA-N 0 3 288.311 -1.193 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001450293262 891867916 /nfs/dbraw/zinc/86/79/16/891867916.db2.gz ATZDTFWUPISQPU-LLVKDONJSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)NCC(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001450374423 891872752 /nfs/dbraw/zinc/87/27/52/891872752.db2.gz PPNIIWSKSHLLQZ-SNVBAGLBSA-N 0 3 297.359 -1.663 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)Cn2cncn2)C1 ZINC001450523191 891875397 /nfs/dbraw/zinc/87/53/97/891875397.db2.gz WABZCMNOHHJOJG-UHFFFAOYSA-N 0 3 294.359 -1.055 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)Cn2cncn2)C1 ZINC001450519424 891876492 /nfs/dbraw/zinc/87/64/92/891876492.db2.gz HEBDWMRXQLNKPU-UHFFFAOYSA-N 0 3 294.359 -1.053 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](CO)CNC(=O)c1ncc[nH]1 ZINC001451391140 891905633 /nfs/dbraw/zinc/90/56/33/891905633.db2.gz WDHRAYCUUXDPBO-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001452283286 891942752 /nfs/dbraw/zinc/94/27/52/891942752.db2.gz DOAZEHXNBUFZKA-LLVKDONJSA-N 0 3 297.359 -1.042 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001452283293 891942821 /nfs/dbraw/zinc/94/28/21/891942821.db2.gz DOAZEHXNBUFZKA-NSHDSACASA-N 0 3 297.359 -1.042 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1ccn[nH]1)N(C)C ZINC001452279887 891943492 /nfs/dbraw/zinc/94/34/92/891943492.db2.gz BDCHDYMUJOFSDF-ONGXEEELSA-N 0 3 297.359 -1.043 20 0 CAADHN Cn1nnc(C(=O)N(CCO)C2CCN(C)CC2)n1 ZINC001452533180 891952679 /nfs/dbraw/zinc/95/26/79/891952679.db2.gz QLGVJRLMNFYWPZ-UHFFFAOYSA-N 0 3 268.321 -1.261 20 0 CAADHN CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001452874042 891964991 /nfs/dbraw/zinc/96/49/91/891964991.db2.gz LAHDVAIZPIIUDZ-IVZWLZJFSA-N 0 3 299.375 -1.371 20 0 CAADHN CC(=O)NCC(=O)N1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001453627225 891980131 /nfs/dbraw/zinc/98/01/31/891980131.db2.gz MXBWLEZRKVSASR-LBPRGKRZSA-N 0 3 296.371 -1.114 20 0 CAADHN CN(CC(=O)N1CCN(C)[C@@H](CO)C1)[C@@H]1CCC[C@H]1O ZINC001454666180 892012327 /nfs/dbraw/zinc/01/23/27/892012327.db2.gz XHYKMZUHMVSRNW-JHJVBQTASA-N 0 3 285.388 -1.034 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)N[C@H](CO)Cc1c[nH]cn1 ZINC001455030064 892023902 /nfs/dbraw/zinc/02/39/02/892023902.db2.gz ZXQNPQSHQONJGD-WXHSDQCUSA-N 0 3 293.371 -1.182 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001455030064 892023919 /nfs/dbraw/zinc/02/39/19/892023919.db2.gz ZXQNPQSHQONJGD-WXHSDQCUSA-N 0 3 293.371 -1.182 20 0 CAADHN CCN(CC)CC(=O)NCCN(C)C(=O)Cn1cnnn1 ZINC001455258957 892038448 /nfs/dbraw/zinc/03/84/48/892038448.db2.gz DBENKCYWAOEYLJ-UHFFFAOYSA-N 0 3 297.363 -1.411 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CCN1C ZINC001455942605 892060700 /nfs/dbraw/zinc/06/07/00/892060700.db2.gz FRNKAMYQAHQCJS-SFYZADRCSA-N 0 3 266.305 -1.414 20 0 CAADHN C[C@H]1[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CCN1C ZINC001455942603 892061388 /nfs/dbraw/zinc/06/13/88/892061388.db2.gz FRNKAMYQAHQCJS-JGVFFNPUSA-N 0 3 266.305 -1.414 20 0 CAADHN CN1C[C@@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)NC1=O ZINC001456297588 892070634 /nfs/dbraw/zinc/07/06/34/892070634.db2.gz BXFGLLNPSLZAQI-SCZZXKLOSA-N 0 3 268.317 -1.401 20 0 CAADHN CN1C[C@@H](C(=O)N2CC(N[C@H]3CCOC3)C2)NC1=O ZINC001456297604 892071360 /nfs/dbraw/zinc/07/13/60/892071360.db2.gz BXFGLLNPSLZAQI-WPRPVWTQSA-N 0 3 268.317 -1.401 20 0 CAADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001456301307 892071399 /nfs/dbraw/zinc/07/13/99/892071399.db2.gz SZECOJXYMJPWOQ-ZCFIWIBFSA-N 0 3 295.299 -1.327 20 0 CAADHN O=C(C1=CCS(=O)(=O)C1)N1CC(N[C@@H]2CCOC2)C1 ZINC001456298069 892071811 /nfs/dbraw/zinc/07/18/11/892071811.db2.gz DAQUQIHHGBAOKZ-SNVBAGLBSA-N 0 3 286.353 -1.070 20 0 CAADHN CNC(=O)NCC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001456289037 892072565 /nfs/dbraw/zinc/07/25/65/892072565.db2.gz PPNIIWSKSHLLQZ-JTQLQIEISA-N 0 3 297.359 -1.663 20 0 CAADHN O=C(CN1CCOCC1)N1CC(N[C@@H]2CCOC2)C1 ZINC001456293395 892072817 /nfs/dbraw/zinc/07/28/17/892072817.db2.gz FBXXAGVVJFNDLO-LLVKDONJSA-N 0 3 269.345 -1.092 20 0 CAADHN COCC(=O)N(C)CC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001456301238 892073047 /nfs/dbraw/zinc/07/30/47/892073047.db2.gz SCWFYLCJQYLKEP-SNVBAGLBSA-N 0 3 285.344 -1.320 20 0 CAADHN O=C([C@H]1COCCO1)N1CC(N[C@@H]2CCOC2)C1 ZINC001456299646 892074037 /nfs/dbraw/zinc/07/40/37/892074037.db2.gz QWRVCYMDMQWOCZ-MWLCHTKSSA-N 0 3 256.302 -1.009 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001456300476 892074225 /nfs/dbraw/zinc/07/42/25/892074225.db2.gz HSETXKMNHPCFQF-YUMQZZPRSA-N 0 3 256.306 -1.368 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)Cn2cncn2)C1 ZINC001456430813 892081016 /nfs/dbraw/zinc/08/10/16/892081016.db2.gz PPPNHUKVWRMPJD-UHFFFAOYSA-N 0 3 294.359 -1.053 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC001457853753 892102643 /nfs/dbraw/zinc/10/26/43/892102643.db2.gz LQJOXKTWGIYFEM-MXWKQRLJSA-N 0 3 257.334 -1.766 20 0 CAADHN CN1CCN(CC(=O)N2CC(N[C@@H]3CCOC3)C2)CC1 ZINC001458026525 892114683 /nfs/dbraw/zinc/11/46/83/892114683.db2.gz NXMUXZJPGXDNHX-GFCCVEGCSA-N 0 3 282.388 -1.177 20 0 CAADHN C[C@H](CNC(=O)CNC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001458301541 892118226 /nfs/dbraw/zinc/11/82/26/892118226.db2.gz QNQVEYCIFXVGGN-VHSXEESVSA-N 0 3 299.375 -1.383 20 0 CAADHN Nc1nc(N)nc(N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)n1 ZINC001458574771 892123719 /nfs/dbraw/zinc/12/37/19/892123719.db2.gz QETLQONOFJJRDJ-NKWVEPMBSA-N 0 3 284.345 -1.093 20 0 CAADHN Nc1nc(N)nc(N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)n1 ZINC001458574774 892125848 /nfs/dbraw/zinc/12/58/48/892125848.db2.gz QETLQONOFJJRDJ-RNFRBKRXSA-N 0 3 284.345 -1.093 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C[C@@H]2CNC(=O)C2)C1 ZINC001459485938 892137552 /nfs/dbraw/zinc/13/75/52/892137552.db2.gz HZICCUFLHFRVQD-DTWKUNHWSA-N 0 3 261.347 -1.254 20 0 CAADHN CN(C)C(=O)NCCN(C)CCC(=O)NC(N)=O ZINC001459779655 892140165 /nfs/dbraw/zinc/14/01/65/892140165.db2.gz PBUCPRQOMDGXDD-UHFFFAOYSA-N 0 3 259.310 -1.226 20 0 CAADHN O=C1NC(=O)C2(CCN(CCn3cnnn3)CC2)N1 ZINC001459894478 892139933 /nfs/dbraw/zinc/13/99/33/892139933.db2.gz PYMIDQHYRNBEBG-UHFFFAOYSA-N 0 3 265.277 -1.653 20 0 CAADHN CC(C)(O)[C@@H](O)CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001460042219 892139984 /nfs/dbraw/zinc/13/99/84/892139984.db2.gz ZBUQXWWMJWIDIF-UFBFGSQYSA-N 0 3 271.317 -1.208 20 0 CAADHN COC(=O)[C@](C)(O)CN1CCN(CCO)[C@H](C)C1 ZINC001459994944 892140556 /nfs/dbraw/zinc/14/05/56/892140556.db2.gz MCWXLILJNKRLJV-ZYHUDNBSSA-N 0 3 260.334 -1.091 20 0 CAADHN CNC(=O)[C@@H]1CCN(CCS(=O)(=O)N(C)C)C1 ZINC001460271910 892145838 /nfs/dbraw/zinc/14/58/38/892145838.db2.gz RCWSKPXUYDAWNM-SECBINFHSA-N 0 3 263.363 -1.054 20 0 CAADHN CCN1CC[C@H](N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)C1=O ZINC001460427565 892148039 /nfs/dbraw/zinc/14/80/39/892148039.db2.gz DLVFQTHZDIZMGS-CIUDSAMLSA-N 0 3 268.317 -1.874 20 0 CAADHN Cc1nn(C)cc1CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001460431952 892149641 /nfs/dbraw/zinc/14/96/41/892149641.db2.gz KFRJPUDJOMAFDC-UWVGGRQHSA-N 0 3 265.317 -1.253 20 0 CAADHN CCN1CC[C@@H](N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001460427569 892150020 /nfs/dbraw/zinc/15/00/20/892150020.db2.gz DLVFQTHZDIZMGS-HRDYMLBCSA-N 0 3 268.317 -1.874 20 0 CAADHN O=C1NCCN1CCN1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001460878819 892151334 /nfs/dbraw/zinc/15/13/34/892151334.db2.gz MNYQXVKTRDVPCG-LLVKDONJSA-N 0 3 296.371 -1.025 20 0 CAADHN NC(=O)NC(=O)CCN[C@H]1C(=O)NCC12CCOCC2 ZINC001460853770 892151569 /nfs/dbraw/zinc/15/15/69/892151569.db2.gz VUGHHPIRFLFMII-VIFPVBQESA-N 0 3 284.316 -1.544 20 0 CAADHN NC(=O)NC(=O)CCN[C@@H]1C(=O)NCC12CCOCC2 ZINC001460853759 892151958 /nfs/dbraw/zinc/15/19/58/892151958.db2.gz VUGHHPIRFLFMII-SECBINFHSA-N 0 3 284.316 -1.544 20 0 CAADHN CC(=O)[C@](C)(O)CN1CC[C@@H](CS(N)(=O)=O)C1 ZINC001460884031 892152668 /nfs/dbraw/zinc/15/26/68/892152668.db2.gz SJRRRJKJGDVKFW-NXEZZACHSA-N 0 3 264.347 -1.063 20 0 CAADHN CNC(=O)CN1CCCN(C[C@@H](O)C(C)(C)O)CC1 ZINC001460807317 892152745 /nfs/dbraw/zinc/15/27/45/892152745.db2.gz LYRZSRYHZLUHFY-LLVKDONJSA-N 0 3 273.377 -1.128 20 0 CAADHN CC(=O)[C@@](C)(O)CN1CC[C@@H](CS(N)(=O)=O)C1 ZINC001460884152 892153118 /nfs/dbraw/zinc/15/31/18/892153118.db2.gz SJRRRJKJGDVKFW-ZJUUUORDSA-N 0 3 264.347 -1.063 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CC(S(N)(=O)=O)C1 ZINC001463855943 892175665 /nfs/dbraw/zinc/17/56/65/892175665.db2.gz WSOMFONUNOLYEJ-UHFFFAOYSA-N 0 3 285.391 -1.759 20 0 CAADHN CN(C)CCCS(=O)(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC001464152143 892182584 /nfs/dbraw/zinc/18/25/84/892182584.db2.gz KWEUEFYZSNDJFH-QWRGUYRKSA-N 0 3 280.390 -1.200 20 0 CAADHN CN(C)CCCS(=O)(=O)NCC1N=NC(=O)N1C ZINC001464411167 892188342 /nfs/dbraw/zinc/18/83/42/892188342.db2.gz PTHZJEDQVBEYMO-UHFFFAOYSA-N 0 3 277.350 -1.108 20 0 CAADHN CN(CCNC(=O)Nc1ncn(C)n1)CCOCCO ZINC001466721153 892232976 /nfs/dbraw/zinc/23/29/76/892232976.db2.gz BAUTXCGVZUSMMB-UHFFFAOYSA-N 0 3 286.336 -1.123 20 0 CAADHN C[C@@H](NC(=O)[C@@H](CO)NC(N)=O)C1=CCN(C)CC1 ZINC001466796848 892235044 /nfs/dbraw/zinc/23/50/44/892235044.db2.gz YXBBODNHQLZLMU-PSASIEDQSA-N 0 3 270.333 -1.218 20 0 CAADHN CN(CCO)CCN(C)C(=O)Nc1nnn(C)n1 ZINC001467222166 892241006 /nfs/dbraw/zinc/24/10/06/892241006.db2.gz XPBBOPNHALPIHV-UHFFFAOYSA-N 0 3 257.298 -1.402 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2COC[C@H]2O)CC1=O ZINC001468100501 892259922 /nfs/dbraw/zinc/25/99/22/892259922.db2.gz WOHJSPUNWKBEAB-HBNTYKKESA-N 0 3 285.344 -1.728 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCC(=O)NCCN1CCCCC1 ZINC001468042030 892261940 /nfs/dbraw/zinc/26/19/40/892261940.db2.gz MUDXMAJFEBRVPR-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC001468171686 892262979 /nfs/dbraw/zinc/26/29/79/892262979.db2.gz HWFIPOXLKJWZAI-VHSXEESVSA-N 0 3 288.348 -2.021 20 0 CAADHN COCCN(C)CCNC(=O)NCC1N=NC(=O)N1C ZINC001468512539 892272539 /nfs/dbraw/zinc/27/25/39/892272539.db2.gz IMGSTKIYFIVPPD-UHFFFAOYSA-N 0 3 286.336 -1.102 20 0 CAADHN Nc1ncn(CC(=O)N[C@H](CO)CN2CCCC2)n1 ZINC001468608811 892276329 /nfs/dbraw/zinc/27/63/29/892276329.db2.gz XEOJDIUZGIKAGH-VIFPVBQESA-N 0 3 268.321 -1.567 20 0 CAADHN COCCN(C)CCNC(=O)NCc1nc(N)n[nH]1 ZINC001471101027 892344135 /nfs/dbraw/zinc/34/41/35/892344135.db2.gz KKHHKZAUMIIFGC-UHFFFAOYSA-N 0 3 271.325 -1.236 20 0 CAADHN CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)CCOCCO ZINC001471518701 892360911 /nfs/dbraw/zinc/36/09/11/892360911.db2.gz VQTYTEMFHHWJGX-ZJUUUORDSA-N 0 3 273.333 -1.835 20 0 CAADHN COC(=O)c1cnc(C(=O)NCCN(C)CCO)cn1 ZINC001471867892 892376322 /nfs/dbraw/zinc/37/63/22/892376322.db2.gz KQPBZWMJWUBVIT-UHFFFAOYSA-N 0 3 282.300 -1.083 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001472079936 892382545 /nfs/dbraw/zinc/38/25/45/892382545.db2.gz FPAPDBIATFQBSX-MRVPVSSYSA-N 0 3 277.346 -1.875 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001472079937 892383322 /nfs/dbraw/zinc/38/33/22/892383322.db2.gz FPAPDBIATFQBSX-QMMMGPOBSA-N 0 3 277.346 -1.875 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001472082972 892385598 /nfs/dbraw/zinc/38/55/98/892385598.db2.gz AAJJUTDUJIBPES-QNSHHTMESA-N 0 3 253.302 -1.303 20 0 CAADHN CN1C[C@H](NC(=O)Cn2nnc(N)n2)C(C)(C)C1 ZINC001472028763 892385651 /nfs/dbraw/zinc/38/56/51/892385651.db2.gz GEMRWFPSYKCBJY-ZETCQYMHSA-N 0 3 253.310 -1.288 20 0 CAADHN Nc1ncn(CC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)n1 ZINC001472260172 892393938 /nfs/dbraw/zinc/39/39/38/892393938.db2.gz YJGULABOSSDFCC-QWRGUYRKSA-N 0 3 294.359 -1.082 20 0 CAADHN CNC(=O)N[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC001472877876 892407756 /nfs/dbraw/zinc/40/77/56/892407756.db2.gz FOTZKTAUBZYWMK-LURJTMIESA-N 0 3 266.309 -1.066 20 0 CAADHN OC[C@@H]1CCN(C[C@H](O)CC2(O)CCOCC2)C[C@H]1O ZINC001473443439 892414256 /nfs/dbraw/zinc/41/42/56/892414256.db2.gz YBGGIWMFIDFPDV-YNEHKIRRSA-N 0 3 289.372 -1.046 20 0 CAADHN Cn1cc([C@H](CO)NCC2CN(S(C)(=O)=O)C2)cn1 ZINC001473360690 892414496 /nfs/dbraw/zinc/41/44/96/892414496.db2.gz CEJDPVBQFJXBJO-NSHDSACASA-N 0 3 288.373 -1.066 20 0 CAADHN C[C@H]1CN(C[C@H](O)C2(O)CCOCC2)CCN1CCO ZINC001473411908 892414619 /nfs/dbraw/zinc/41/46/19/892414619.db2.gz JJRZYXBKQDAEGD-STQMWFEESA-N 0 3 288.388 -1.113 20 0 CAADHN COC(CN(CCCO)CCC(=O)NC(N)=O)OC ZINC001473373705 892414724 /nfs/dbraw/zinc/41/47/24/892414724.db2.gz AOSMGLIXPUHTHY-UHFFFAOYSA-N 0 3 277.321 -1.125 20 0 CAADHN NC(=O)N[C@@H]1CCN(C[C@@H](O)C2(O)CCOCC2)C1 ZINC001473349203 892415227 /nfs/dbraw/zinc/41/52/27/892415227.db2.gz SNVSDFZHHWEHFK-NXEZZACHSA-N 0 3 273.333 -1.369 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)C[C@]2(O)CCOC2)CCN1CCO ZINC001473412170 892416045 /nfs/dbraw/zinc/41/60/45/892416045.db2.gz NSWFCINMWWGJKW-HZSPNIEDSA-N 0 3 288.388 -1.113 20 0 CAADHN NC(=O)N[C@@H]1CCN(C[C@H](O)C2(O)CCOCC2)C1 ZINC001473349206 892416504 /nfs/dbraw/zinc/41/65/04/892416504.db2.gz SNVSDFZHHWEHFK-ZJUUUORDSA-N 0 3 273.333 -1.369 20 0 CAADHN OC[C@@H]1CN(C[C@@H](O)CC2(O)CCOCC2)C[C@H]1O ZINC001473538635 892418928 /nfs/dbraw/zinc/41/89/28/892418928.db2.gz UVJVRFXGOUIMEF-SDDRHHMPSA-N 0 3 275.345 -1.436 20 0 CAADHN NC(=O)C1(O)CCN(C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001473469055 892418982 /nfs/dbraw/zinc/41/89/82/892418982.db2.gz PMOYEASJPNHQKK-PWSUYJOCSA-N 0 3 288.344 -1.799 20 0 CAADHN OC[C@@H]1CN(C[C@@H](O)CC2(O)CCOCC2)C[C@@H]1O ZINC001473538636 892420245 /nfs/dbraw/zinc/42/02/45/892420245.db2.gz UVJVRFXGOUIMEF-SRVKXCTJSA-N 0 3 275.345 -1.436 20 0 CAADHN NC(=O)[C@H]1CN([C@@H]2CCN(C3CC3)C2=O)C[C@H]1C(N)=O ZINC001473643372 892423096 /nfs/dbraw/zinc/42/30/96/892423096.db2.gz REEKPGZNYQGNPZ-KXUCPTDWSA-N 0 3 280.328 -1.732 20 0 CAADHN NC(=O)[C@@H]1CN([C@@H]2CCN(C3CC3)C2=O)C[C@H]1C(N)=O ZINC001473643373 892423847 /nfs/dbraw/zinc/42/38/47/892423847.db2.gz REEKPGZNYQGNPZ-OPRDCNLKSA-N 0 3 280.328 -1.732 20 0 CAADHN COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2nnn[n-]2)C1 ZINC001473753296 892425712 /nfs/dbraw/zinc/42/57/12/892425712.db2.gz WGINCKSQZRZBNX-GHMZBOCLSA-N 0 3 284.364 -1.072 20 0 CAADHN COCCN(C)C[C@@H](O)C[N@H+]1CC[C@@H](c2nnn[n-]2)C1 ZINC001473753296 892425724 /nfs/dbraw/zinc/42/57/24/892425724.db2.gz WGINCKSQZRZBNX-GHMZBOCLSA-N 0 3 284.364 -1.072 20 0 CAADHN CC(C)(O)[C@@H](O)CN1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001473777800 892426984 /nfs/dbraw/zinc/42/69/84/892426984.db2.gz YNVSHLDFPRCEJO-UWVGGRQHSA-N 0 3 280.390 -1.011 20 0 CAADHN CNC(=O)CN1CCCN(CCC(=O)NC(=O)NC)CC1 ZINC001473811920 892427638 /nfs/dbraw/zinc/42/76/38/892427638.db2.gz HLRJUNZIGQKSMJ-UHFFFAOYSA-N 0 3 299.375 -1.414 20 0 CAADHN CCNC(=O)CCN1CCN2CCOC[C@]2(CO)C1 ZINC001473831876 892429480 /nfs/dbraw/zinc/42/94/80/892429480.db2.gz DUTPKXCKLWXAJY-CYBMUJFWSA-N 0 3 271.361 -1.109 20 0 CAADHN NC(=O)Cn1cc(CNC[C@H]2CCCCN2CCO)nn1 ZINC001474156368 892431820 /nfs/dbraw/zinc/43/18/20/892431820.db2.gz VWLKUYJMWZSIBQ-GFCCVEGCSA-N 0 3 296.375 -1.300 20 0 CAADHN O=C1NCC2(CCOCC2)[C@@H]1NCCN1CCNC1=O ZINC001473830600 892432144 /nfs/dbraw/zinc/43/21/44/892432144.db2.gz CGBBDZNXIDRZGQ-SNVBAGLBSA-N 0 3 282.344 -1.104 20 0 CAADHN OC[C@]12COCCN1CCN(C[C@@]1(O)CCCOC1)C2 ZINC001473831856 892432192 /nfs/dbraw/zinc/43/21/92/892432192.db2.gz DTBJONALZTUQJH-KGLIPLIRSA-N 0 3 286.372 -1.093 20 0 CAADHN Cc1ncc(CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)n1C ZINC001474650394 892433759 /nfs/dbraw/zinc/43/37/59/892433759.db2.gz SYYNRYBJSJMDNR-AOOOYVTPSA-N 0 3 265.317 -1.253 20 0 CAADHN O=S1(=O)CC[C@](O)(CNC2COCCOC2)C1 ZINC001474526426 892433797 /nfs/dbraw/zinc/43/37/97/892433797.db2.gz MQHOMGHSPLQJTP-JTQLQIEISA-N 0 3 265.331 -1.459 20 0 CAADHN NC(=O)[C@@H]1CN(Cc2cnc3n2CCC3)C[C@H]1C(N)=O ZINC001474650370 892434641 /nfs/dbraw/zinc/43/46/41/892434641.db2.gz SKJXHZJRTLNGEK-NXEZZACHSA-N 0 3 277.328 -1.152 20 0 CAADHN CS(=O)(=O)C1CC(NC[C@]2(O)CCS(=O)(=O)C2)C1 ZINC001474526299 892434918 /nfs/dbraw/zinc/43/49/18/892434918.db2.gz BETDXRPHKGPCEX-UDNWOFFPSA-N 0 3 297.398 -1.299 20 0 CAADHN O=S1(=O)CC[C@@](O)(CNC2COCCOC2)C1 ZINC001474526427 892434963 /nfs/dbraw/zinc/43/49/63/892434963.db2.gz MQHOMGHSPLQJTP-SNVBAGLBSA-N 0 3 265.331 -1.459 20 0 CAADHN Cc1ncc(CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)n1C ZINC001474650395 892434982 /nfs/dbraw/zinc/43/49/82/892434982.db2.gz SYYNRYBJSJMDNR-NXEZZACHSA-N 0 3 265.317 -1.253 20 0 CAADHN CN(C)CCCS(=O)(=O)N[C@@H]1CCC(=O)NC1=O ZINC001475120805 892439472 /nfs/dbraw/zinc/43/94/72/892439472.db2.gz JOIGLOLCOKOHSG-MRVPVSSYSA-N 0 3 277.346 -1.337 20 0 CAADHN COC(=O)CNC(=O)CNS(=O)(=O)CCCN(C)C ZINC001475242976 892439727 /nfs/dbraw/zinc/43/97/27/892439727.db2.gz ZBFCKQWGRDYIDC-UHFFFAOYSA-N 0 3 295.361 -1.853 20 0 CAADHN COCC[C@@H](NS(=O)(=O)CCCN(C)C)C(N)=O ZINC001475134323 892439997 /nfs/dbraw/zinc/43/99/97/892439997.db2.gz CLVGYHWXQHWYKI-SECBINFHSA-N 0 3 281.378 -1.252 20 0 CAADHN CNC(=O)Cn1cc(NC(=O)NCCN(C)CCO)cn1 ZINC001476348458 892450807 /nfs/dbraw/zinc/45/08/07/892450807.db2.gz WOELRJIOKWLVHD-UHFFFAOYSA-N 0 3 298.347 -1.325 20 0 CAADHN COCCN(C)CCNC(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001477738473 892454695 /nfs/dbraw/zinc/45/46/95/892454695.db2.gz INRGLZIWTOVUHD-RYUDHWBXSA-N 0 3 289.376 -1.051 20 0 CAADHN COCCN(C)CCNC(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001477738472 892455163 /nfs/dbraw/zinc/45/51/63/892455163.db2.gz INRGLZIWTOVUHD-NWDGAFQWSA-N 0 3 289.376 -1.051 20 0 CAADHN COCCN1CC[C@H](NC(=O)N[C@@H]2COC[C@H]2O)C1 ZINC001477995575 892458003 /nfs/dbraw/zinc/45/80/03/892458003.db2.gz QSSVGEDWZLKSIL-HBNTYKKESA-N 0 3 273.333 -1.234 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)NC1CC1 ZINC001479100223 892466452 /nfs/dbraw/zinc/46/64/52/892466452.db2.gz YWXBMGULZGBBSE-KHQFGBGNSA-N 0 3 282.344 -1.425 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCCCS(N)(=O)=O)C1 ZINC001478891372 892466913 /nfs/dbraw/zinc/46/69/13/892466913.db2.gz MBFFLHXGUPLGLY-SNVBAGLBSA-N 0 3 294.377 -1.969 20 0 CAADHN CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001479337697 892473322 /nfs/dbraw/zinc/47/33/22/892473322.db2.gz NMPXLXWNWLKSGJ-AOOOYVTPSA-N 0 3 294.359 -1.032 20 0 CAADHN CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001479408780 892475661 /nfs/dbraw/zinc/47/56/61/892475661.db2.gz NMPXLXWNWLKSGJ-MGCOHNPYSA-N 0 3 294.359 -1.032 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CCC[C@H](N(CCO)CCO)C1 ZINC001479661400 892477482 /nfs/dbraw/zinc/47/74/82/892477482.db2.gz OQNPEKDKNAWJTL-RYUDHWBXSA-N 0 3 299.371 -1.457 20 0 CAADHN COCCN(CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001479660038 892479434 /nfs/dbraw/zinc/47/94/34/892479434.db2.gz QBRYSQDGVUHIIB-SNVBAGLBSA-N 0 3 273.333 -1.597 20 0 CAADHN CN(CCCNC(=O)[C@@H]1CN(C)CCO1)[C@@H]1CCNC1=O ZINC001479763552 892482109 /nfs/dbraw/zinc/48/21/09/892482109.db2.gz LSYSAKDSMDONGQ-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CCCC[C@@H](C(N)=O)N(C)CCCNC(=O)C(N)=O ZINC001479793137 892482564 /nfs/dbraw/zinc/48/25/64/892482564.db2.gz FDUFHUZUWNQRBH-VIFPVBQESA-N 0 3 272.349 -1.046 20 0 CAADHN Cc1nnc(CC(=O)NCCCN(C)[C@H](C)C(N)=O)[nH]1 ZINC001479770437 892482683 /nfs/dbraw/zinc/48/26/83/892482683.db2.gz NGADRJLVAJVDRH-MRVPVSSYSA-N 0 3 282.348 -1.032 20 0 CAADHN CN(CCCNC(=O)[C@@H]1CCC(=O)N1)[C@H]1CCCNC1=O ZINC001479808110 892483300 /nfs/dbraw/zinc/48/33/00/892483300.db2.gz PYUQXYDYWSLDKD-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(CCCNC(=O)[C@H]1CCC(=O)N1)[C@H]1CCNC1=O ZINC001479839086 892486161 /nfs/dbraw/zinc/48/61/61/892486161.db2.gz LOMHGZKLNYNUMV-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(CCCNC(=O)C(N)=O)[C@H]1CCNC1=O ZINC001479853711 892486720 /nfs/dbraw/zinc/48/67/20/892486720.db2.gz UIGRUIDJHVOIRP-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001480595534 892535909 /nfs/dbraw/zinc/53/59/09/892535909.db2.gz BZTGSRPRGXTOCS-YUMQZZPRSA-N 0 3 279.362 -1.611 20 0 CAADHN CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)[C@H](C)C(N)=O ZINC001479852410 892488060 /nfs/dbraw/zinc/48/80/60/892488060.db2.gz HYUFNLSZXXQYCO-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001479952526 892490082 /nfs/dbraw/zinc/49/00/82/892490082.db2.gz TXCHFDQVBMZOHV-SECBINFHSA-N 0 3 258.322 -1.512 20 0 CAADHN NC(=O)C(=O)NCCN1CCN(CC[C@H]2CCCO2)CC1 ZINC001479936374 892490874 /nfs/dbraw/zinc/49/08/74/892490874.db2.gz CBPWWQGYGZNKPV-GFCCVEGCSA-N 0 3 298.387 -1.225 20 0 CAADHN O=C(CCn1ccnn1)N[C@@H]1CCN(CCO)C1 ZINC001479951174 892492020 /nfs/dbraw/zinc/49/20/20/892492020.db2.gz CRVZMNBQLQESAO-SNVBAGLBSA-N 0 3 253.306 -1.149 20 0 CAADHN NC(=O)NC(=O)CN[C@@H](CNC(=O)c1cocn1)C1CC1 ZINC001480009229 892493356 /nfs/dbraw/zinc/49/33/56/892493356.db2.gz PINQMCKGBRKRIC-QMMMGPOBSA-N 0 3 295.299 -1.033 20 0 CAADHN NC(=O)CC(=O)NC[C@H](NCC(=O)N1CCCC1)C1CC1 ZINC001480011161 892493459 /nfs/dbraw/zinc/49/34/59/892493459.db2.gz UURCWMTYDFYSCF-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001480019026 892493626 /nfs/dbraw/zinc/49/36/26/892493626.db2.gz ZBXATIPPIRSDIM-SECBINFHSA-N 0 3 280.332 -1.119 20 0 CAADHN CN1CC[C@@H](N[C@@H](CNC(=O)CC(N)=O)C2CC2)C1=O ZINC001480009848 892493739 /nfs/dbraw/zinc/49/37/39/892493739.db2.gz DJPXUHQUZPBCIW-ZJUUUORDSA-N 0 3 282.344 -1.423 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](NCC(=O)N(C)C)C1CC1 ZINC001479999591 892494344 /nfs/dbraw/zinc/49/43/44/892494344.db2.gz LEVSSQPMRGUIMD-NSHDSACASA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001480015398 892494725 /nfs/dbraw/zinc/49/47/25/892494725.db2.gz JERVGPJSZNOFQB-IONNQARKSA-N 0 3 285.348 -1.726 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)c1ncn(C)n1)C1CC1)C(N)=O ZINC001480018731 892494900 /nfs/dbraw/zinc/49/49/00/892494900.db2.gz WHANAHFFMYGQNP-APPZFPTMSA-N 0 3 280.332 -1.213 20 0 CAADHN Cn1cc(CC(=O)NC[C@H](NCC(N)=O)C2CC2)cn1 ZINC001480008097 892494958 /nfs/dbraw/zinc/49/49/58/892494958.db2.gz HQPLBHSJPCVPLL-NSHDSACASA-N 0 3 279.344 -1.068 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001480018040 892494985 /nfs/dbraw/zinc/49/49/85/892494985.db2.gz NTTOQDMFQUQAKJ-BDAKNGLRSA-N 0 3 284.316 -1.675 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001480005683 892495073 /nfs/dbraw/zinc/49/50/73/892495073.db2.gz UYBLXFGFNYOLMM-UWVGGRQHSA-N 0 3 271.317 -1.629 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1nnn(C)c1C)C1CC1 ZINC001480011450 892495194 /nfs/dbraw/zinc/49/51/94/892495194.db2.gz XKVIYMRUHCGNHX-SNVBAGLBSA-N 0 3 294.359 -1.032 20 0 CAADHN CS(=O)(=O)CC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001480006581 892495351 /nfs/dbraw/zinc/49/53/51/892495351.db2.gz NTPGQROWIMFMQO-QMMMGPOBSA-N 0 3 277.346 -1.999 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1nnn(C)c1C)C1CC1 ZINC001480011449 892495410 /nfs/dbraw/zinc/49/54/10/892495410.db2.gz XKVIYMRUHCGNHX-JTQLQIEISA-N 0 3 294.359 -1.032 20 0 CAADHN NC(=O)NC(=O)CN[C@H](CNC(=O)c1cocn1)C1CC1 ZINC001480009228 892495507 /nfs/dbraw/zinc/49/55/07/892495507.db2.gz PINQMCKGBRKRIC-MRVPVSSYSA-N 0 3 295.299 -1.033 20 0 CAADHN COCCC(=O)NC[C@@H](NCC(=O)NC(N)=O)C1CC1 ZINC001479997164 892495875 /nfs/dbraw/zinc/49/58/75/892495875.db2.gz FTTZXMRWVTWIIP-SECBINFHSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1cnon1)C1CC1 ZINC001480053471 892496998 /nfs/dbraw/zinc/49/69/98/892496998.db2.gz NNUKBLFRTXTJTD-MRVPVSSYSA-N 0 3 267.289 -1.086 20 0 CAADHN Cn1cncc1CN[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001480042254 892497383 /nfs/dbraw/zinc/49/73/83/892497383.db2.gz BDCZRUZLEAHMTO-JTQLQIEISA-N 0 3 265.317 -1.110 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001480054662 892497436 /nfs/dbraw/zinc/49/74/36/892497436.db2.gz ZZTNURCKWKWQPC-JTQLQIEISA-N 0 3 284.360 -1.129 20 0 CAADHN NC(=O)C[NH2+][C@@H](CNC(=O)Cc1nnc[n-]1)C1CC1 ZINC001480055617 892497459 /nfs/dbraw/zinc/49/74/59/892497459.db2.gz CBXKDGRTJUFYOS-QMMMGPOBSA-N 0 3 266.305 -1.683 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CCC(=O)NC1 ZINC001480039771 892497485 /nfs/dbraw/zinc/49/74/85/892497485.db2.gz BDEUZOLBQMVOKV-QMTHXVAHSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CCNC1=O ZINC001480045869 892497566 /nfs/dbraw/zinc/49/75/66/892497566.db2.gz AQSAEIJCFVBZNN-RNCFNFMXSA-N 0 3 282.344 -1.518 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CNC(=O)c1nnn(C)n1)C1CC1 ZINC001480041567 892497580 /nfs/dbraw/zinc/49/75/80/892497580.db2.gz YSPXMWXHBIDGBI-APPZFPTMSA-N 0 3 295.347 -1.557 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001480111558 892497631 /nfs/dbraw/zinc/49/76/31/892497631.db2.gz BDZDWKFVQRATCK-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CCNC1=O ZINC001480045868 892497750 /nfs/dbraw/zinc/49/77/50/892497750.db2.gz AQSAEIJCFVBZNN-NOZJJQNGSA-N 0 3 282.344 -1.518 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 ZINC001480068957 892497788 /nfs/dbraw/zinc/49/77/88/892497788.db2.gz VOPKOKUQQKEILU-DTWKUNHWSA-N 0 3 296.327 -1.991 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CNC(=O)c1nnn(C)n1)C1CC1 ZINC001480041569 892497822 /nfs/dbraw/zinc/49/78/22/892497822.db2.gz YSPXMWXHBIDGBI-CBAPKCEASA-N 0 3 295.347 -1.557 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001480045313 892497834 /nfs/dbraw/zinc/49/78/34/892497834.db2.gz VNPYWCMYVVURDO-WCBMZHEXSA-N 0 3 284.360 -1.129 20 0 CAADHN COCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001480104236 892498037 /nfs/dbraw/zinc/49/80/37/892498037.db2.gz MGYUDKVEKMAFDP-ZETCQYMHSA-N 0 3 258.278 -1.982 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001480105758 892498050 /nfs/dbraw/zinc/49/80/50/892498050.db2.gz CMFPTRUFSMCOQB-UWVGGRQHSA-N 0 3 255.318 -1.041 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1cnon1)C1CC1 ZINC001480053474 892498081 /nfs/dbraw/zinc/49/80/81/892498081.db2.gz NNUKBLFRTXTJTD-QMMMGPOBSA-N 0 3 267.289 -1.086 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](NCC(N)=O)C2CC2)CCNC1=O ZINC001480045870 892498133 /nfs/dbraw/zinc/49/81/33/892498133.db2.gz AQSAEIJCFVBZNN-TVQRCGJNSA-N 0 3 282.344 -1.518 20 0 CAADHN NC(=O)Cn1cc(C(=O)NC[C@H](NCCF)C2CC2)nn1 ZINC001480066981 892498358 /nfs/dbraw/zinc/49/83/58/892498358.db2.gz UGJLGCLARCMQQD-VIFPVBQESA-N 0 3 298.322 -1.169 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001480112052 892498372 /nfs/dbraw/zinc/49/83/72/892498372.db2.gz WWLBQWIUOKFXPO-JTQLQIEISA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](NCC(N)=O)C2CC2)CCC(=O)NC1 ZINC001480039770 892498414 /nfs/dbraw/zinc/49/84/14/892498414.db2.gz BDEUZOLBQMVOKV-IINYFYTJSA-N 0 3 296.371 -1.128 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001480107131 892498607 /nfs/dbraw/zinc/49/86/07/892498607.db2.gz HACITMHGCIQDKY-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN Cn1cncc1CN[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001480042255 892498643 /nfs/dbraw/zinc/49/86/43/892498643.db2.gz BDCZRUZLEAHMTO-SNVBAGLBSA-N 0 3 265.317 -1.110 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001480108038 892498708 /nfs/dbraw/zinc/49/87/08/892498708.db2.gz WHCWDBOVPQKFGH-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001480105759 892498744 /nfs/dbraw/zinc/49/87/44/892498744.db2.gz CMFPTRUFSMCOQB-ZJUUUORDSA-N 0 3 255.318 -1.041 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CNC(=O)c1nnn(C)n1)C1CC1 ZINC001480041571 892498792 /nfs/dbraw/zinc/49/87/92/892498792.db2.gz YSPXMWXHBIDGBI-IONNQARKSA-N 0 3 295.347 -1.557 20 0 CAADHN NC(=O)C1(C(=O)NC[C@H](N[C@H]2CCNC2=O)C2CC2)CC1 ZINC001480043027 892498815 /nfs/dbraw/zinc/49/88/15/892498815.db2.gz IWAURDXDCWGODQ-UWVGGRQHSA-N 0 3 294.355 -1.375 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001480045312 892498832 /nfs/dbraw/zinc/49/88/32/892498832.db2.gz VNPYWCMYVVURDO-SCZZXKLOSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)C(=O)NCC1CC1)C1CC1)C(N)=O ZINC001480054923 892498930 /nfs/dbraw/zinc/49/89/30/892498930.db2.gz GREGLQDBSVSZMY-KCJUWKMLSA-N 0 3 296.371 -1.129 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)cn1 ZINC001480104479 892498975 /nfs/dbraw/zinc/49/89/75/892498975.db2.gz NNBJYAGZMUHDGD-VIFPVBQESA-N 0 3 294.315 -1.581 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001480115377 892500690 /nfs/dbraw/zinc/50/06/90/892500690.db2.gz HXJDHDMDRXVLHJ-VWYCJHECSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001480140136 892501184 /nfs/dbraw/zinc/50/11/84/892501184.db2.gz LHJAWAYNAPOFON-KYZUINATSA-N 0 3 289.357 -1.986 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001480220657 892508995 /nfs/dbraw/zinc/50/89/95/892508995.db2.gz ORTZALHPLIOMKA-DTORHVGOSA-N 0 3 292.343 -1.183 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001480414710 892510463 /nfs/dbraw/zinc/51/04/63/892510463.db2.gz BAIJFNHHZBVIES-MRVPVSSYSA-N 0 3 258.322 -1.695 20 0 CAADHN CCCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)COC ZINC001480412861 892511417 /nfs/dbraw/zinc/51/14/17/892511417.db2.gz NJJVTGFIHRWZJK-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001480393390 892511725 /nfs/dbraw/zinc/51/17/25/892511725.db2.gz JIADUBHUALCRCW-GOVZDWNOSA-N 0 3 294.355 -1.567 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cc(C)n[nH]1 ZINC001480430678 892513427 /nfs/dbraw/zinc/51/34/27/892513427.db2.gz QXIOOPRPFCXNOA-MRVPVSSYSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ccon1)C(=O)NC(N)=O ZINC001480430463 892513587 /nfs/dbraw/zinc/51/35/87/892513587.db2.gz MPKPGZFEIWUQRF-NKWVEPMBSA-N 0 3 283.288 -1.034 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1nccnc1N ZINC001480437108 892513698 /nfs/dbraw/zinc/51/36/98/892513698.db2.gz DEBNKHROGHLROH-SSDOTTSWSA-N 0 3 266.305 -1.487 20 0 CAADHN CCN1CC[C@@H](N[C@@H](C)CNC(=O)CC(N)=O)C1=O ZINC001480437554 892513717 /nfs/dbraw/zinc/51/37/17/892513717.db2.gz BCSJKCIAYZDVBC-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CNC(=O)OC)C(N)=O ZINC001480431557 892513908 /nfs/dbraw/zinc/51/39/08/892513908.db2.gz YHPXGQKRSZPKRP-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@@H](CC)C(N)=O ZINC001480435590 892514061 /nfs/dbraw/zinc/51/40/61/892514061.db2.gz HQURBAVNRRUHBF-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@H](CC)C(N)=O ZINC001480435591 892514394 /nfs/dbraw/zinc/51/43/94/892514394.db2.gz HQURBAVNRRUHBF-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)NCC(=O)N(C)C ZINC001480421859 892514477 /nfs/dbraw/zinc/51/44/77/892514477.db2.gz OASCMYRZESJLFO-MRVPVSSYSA-N 0 3 269.309 -2.144 20 0 CAADHN C[C@@H](CNC(=O)Cn1cccn1)N[C@H]1CCC(=O)NC1=O ZINC001480424302 892514725 /nfs/dbraw/zinc/51/47/25/892514725.db2.gz XZUDFAQUSDGCLO-UWVGGRQHSA-N 0 3 293.327 -1.217 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)NCc1ccnn1C ZINC001480423021 892515247 /nfs/dbraw/zinc/51/52/47/892515247.db2.gz WZGSIUSAODBHHB-SECBINFHSA-N 0 3 278.320 -1.299 20 0 CAADHN C[C@@H](CNC(=O)CS(C)(=O)=O)N[C@@H](C)C(=O)N(C)C ZINC001480431771 892515373 /nfs/dbraw/zinc/51/53/73/892515373.db2.gz COKTYDSVDYKXSY-IUCAKERBSA-N 0 3 293.389 -1.398 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001480434613 892515404 /nfs/dbraw/zinc/51/54/04/892515404.db2.gz XHZDUIDZDPDAOQ-ZETCQYMHSA-N 0 3 265.335 -2.129 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)NCCS(C)(=O)=O ZINC001480417397 892515449 /nfs/dbraw/zinc/51/54/49/892515449.db2.gz VMTZICONKQKOPQ-MRVPVSSYSA-N 0 3 279.362 -1.739 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H](C)OC ZINC001480434780 892515619 /nfs/dbraw/zinc/51/56/19/892515619.db2.gz YVTPOEADNJDXQP-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CNC(=O)C1=COCCO1)N[C@H]1CCNC1=O ZINC001480421584 892515690 /nfs/dbraw/zinc/51/56/90/892515690.db2.gz VDMSKLLHVIMXCY-BDAKNGLRSA-N 0 3 269.301 -1.143 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)Cn1cccn1 ZINC001480423514 892515757 /nfs/dbraw/zinc/51/57/57/892515757.db2.gz GQGAHPJIMMVNHA-VIFPVBQESA-N 0 3 253.306 -1.277 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CNC(C)=O ZINC001480415733 892515927 /nfs/dbraw/zinc/51/59/27/892515927.db2.gz IQGCZHLMSCLHOY-JGVFFNPUSA-N 0 3 258.322 -1.649 20 0 CAADHN C[C@H](CNC(=O)Cn1cccn1)N[C@@H]1CCC(=O)NC1=O ZINC001480424301 892515959 /nfs/dbraw/zinc/51/59/59/892515959.db2.gz XZUDFAQUSDGCLO-NXEZZACHSA-N 0 3 293.327 -1.217 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1)N[C@@H]1CCC(=O)NC1=O ZINC001480422199 892516099 /nfs/dbraw/zinc/51/60/99/892516099.db2.gz QECJOKDNXSPXDN-PSASIEDQSA-N 0 3 293.327 -1.067 20 0 CAADHN CCNC(=O)CCC(=O)NC[C@H](C)NCC(=O)NC ZINC001480430947 892516211 /nfs/dbraw/zinc/51/62/11/892516211.db2.gz BVCLBNVKADEKEF-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN C[C@@H](CNC(=O)c1ccon1)N[C@@H](C)C(=O)NC(N)=O ZINC001480430462 892516322 /nfs/dbraw/zinc/51/63/22/892516322.db2.gz MPKPGZFEIWUQRF-BQBZGAKWSA-N 0 3 283.288 -1.034 20 0 CAADHN C[C@@H](CNC(=O)c1cnnn1C)NCC(=O)N1CCC1 ZINC001480454750 892517392 /nfs/dbraw/zinc/51/73/92/892517392.db2.gz WIPINYPTGUVWED-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1)N[C@@H](C)C(N)=O ZINC001480445635 892517177 /nfs/dbraw/zinc/51/71/77/892517177.db2.gz CNEXYFCPLXBELL-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)C1=CCOCC1 ZINC001480447478 892517310 /nfs/dbraw/zinc/51/73/10/892517310.db2.gz GUUOTVOSQJBYBU-SECBINFHSA-N 0 3 298.343 -1.117 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H](C)NCCS(C)(=O)=O ZINC001480449251 892517490 /nfs/dbraw/zinc/51/74/90/892517490.db2.gz YYSJXIXSWVDGNN-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N[C@H]1CCCNC1=O ZINC001480454584 892517582 /nfs/dbraw/zinc/51/75/82/892517582.db2.gz LMVONBNHJLCABN-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](C)NCC(=O)N(C)C)C1 ZINC001480453593 892517653 /nfs/dbraw/zinc/51/76/53/892517653.db2.gz VSBSZSKZDWJJNQ-VIFPVBQESA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001480456518 892517749 /nfs/dbraw/zinc/51/77/49/892517749.db2.gz RTJGWTMUQQNYGJ-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001480454443 892518123 /nfs/dbraw/zinc/51/81/23/892518123.db2.gz SYFWSBGNJUXOMX-BDAKNGLRSA-N 0 3 286.332 -1.285 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001480445371 892518192 /nfs/dbraw/zinc/51/81/92/892518192.db2.gz DBYKBFGUUPDAAK-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cnnn1C ZINC001480454834 892518326 /nfs/dbraw/zinc/51/83/26/892518326.db2.gz XQZQQFDQWCIFBM-SFYZADRCSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1N)N[C@@H](C)C(N)=O ZINC001480448485 892518586 /nfs/dbraw/zinc/51/85/86/892518586.db2.gz KCMIPWQJPPCOFB-BQBZGAKWSA-N 0 3 268.321 -1.416 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CN1CCOCC1)C(N)=O ZINC001480448048 892518621 /nfs/dbraw/zinc/51/86/21/892518621.db2.gz OIKVQKYBLYQJBO-WDEREUQCSA-N 0 3 286.376 -1.323 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)c1ncc[nH]1 ZINC001480457445 892518635 /nfs/dbraw/zinc/51/86/35/892518635.db2.gz LHBABZSJCUMITR-SFYZADRCSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1N)N[C@H](C)C(N)=O ZINC001480448488 892518694 /nfs/dbraw/zinc/51/86/94/892518694.db2.gz KCMIPWQJPPCOFB-RNFRBKRXSA-N 0 3 268.321 -1.416 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)N[C@@H]1CCC(=O)NC1=O ZINC001480440596 892518753 /nfs/dbraw/zinc/51/87/53/892518753.db2.gz WDQHMQUPXRHVOA-NKWVEPMBSA-N 0 3 270.289 -2.239 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](C)N[C@H]2CCN(C)C2=O)C1 ZINC001480452844 892518819 /nfs/dbraw/zinc/51/88/19/892518819.db2.gz QAHZCHYOJHVNRF-SKDRFNHKSA-N 0 3 296.371 -1.210 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CCNC(=O)NC ZINC001480455540 892518944 /nfs/dbraw/zinc/51/89/44/892518944.db2.gz CLXKMAXHNITNJD-VIFPVBQESA-N 0 3 287.364 -1.464 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cnnn1C ZINC001480454832 892518966 /nfs/dbraw/zinc/51/89/66/892518966.db2.gz XQZQQFDQWCIFBM-JGVFFNPUSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CN1CCOCC1)C(N)=O ZINC001480445636 892518997 /nfs/dbraw/zinc/51/89/97/892518997.db2.gz CNEXYFCPLXBELL-VHSXEESVSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cnnn1C ZINC001480454836 892519102 /nfs/dbraw/zinc/51/91/02/892519102.db2.gz XQZQQFDQWCIFBM-YUMQZZPRSA-N 0 3 268.321 -1.343 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCCNC1=O ZINC001480437851 892519255 /nfs/dbraw/zinc/51/92/55/892519255.db2.gz JRWWYVPMEPYZGW-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CNC(=O)c1nccnc1N)NCC(N)=O ZINC001480440123 892519435 /nfs/dbraw/zinc/51/94/35/892519435.db2.gz TUOMERSZPSLBGG-ZCFIWIBFSA-N 0 3 252.278 -1.748 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCCNC1=O ZINC001480437849 892520077 /nfs/dbraw/zinc/52/00/77/892520077.db2.gz JRWWYVPMEPYZGW-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)N[C@@H]1CCCNC1=O ZINC001480454585 892520169 /nfs/dbraw/zinc/52/01/69/892520169.db2.gz LMVONBNHJLCABN-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ccc2n[nH]nc2n1)C(N)=O ZINC001480472968 892521267 /nfs/dbraw/zinc/52/12/67/892521267.db2.gz NBCFVRDZQGQBLP-NKWVEPMBSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001480481123 892521350 /nfs/dbraw/zinc/52/13/50/892521350.db2.gz VJKQBXXDZSGUCJ-JGVFFNPUSA-N 0 3 281.316 -1.638 20 0 CAADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N[C@@H](C)C(N)=O ZINC001480481126 892521496 /nfs/dbraw/zinc/52/14/96/892521496.db2.gz VJKQBXXDZSGUCJ-SFYZADRCSA-N 0 3 281.316 -1.638 20 0 CAADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)NCC(=O)N(C)C ZINC001480480280 892521628 /nfs/dbraw/zinc/52/16/28/892521628.db2.gz QJLJJGJOBRLDRL-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN C[C@@H](CNC(=O)c1ccc2n[nH]nc2n1)N[C@@H](C)C(N)=O ZINC001480472965 892521636 /nfs/dbraw/zinc/52/16/36/892521636.db2.gz NBCFVRDZQGQBLP-BQBZGAKWSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)NCCF ZINC001480471106 892521764 /nfs/dbraw/zinc/52/17/64/892521764.db2.gz ZLUYDLZPUHCFTI-QMMMGPOBSA-N 0 3 269.342 -1.058 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)NCC(=O)N(C)C1CC1 ZINC001480471296 892521820 /nfs/dbraw/zinc/52/18/20/892521820.db2.gz DCPUCADBOLBGGF-VIFPVBQESA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N[C@@H](C)C(N)=O ZINC001480466776 892521906 /nfs/dbraw/zinc/52/19/06/892521906.db2.gz VTZAAYCRFDGTBN-BQBZGAKWSA-N 0 3 277.346 -2.001 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)NCC(=O)N1CCC1 ZINC001480483559 892522603 /nfs/dbraw/zinc/52/26/03/892522603.db2.gz IYPBROVMQSKQSD-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)NCC(N)=O ZINC001480481313 892522648 /nfs/dbraw/zinc/52/26/48/892522648.db2.gz LMMASNLJFFHFBX-JGVFFNPUSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001480460202 892523028 /nfs/dbraw/zinc/52/30/28/892523028.db2.gz TWESRFATSRCMEM-VIFPVBQESA-N 0 3 267.333 -1.197 20 0 CAADHN C[C@@H](NC(=O)c1ccoc1)C(=O)NC[C@H](C)NCC(N)=O ZINC001480465123 892523251 /nfs/dbraw/zinc/52/32/51/892523251.db2.gz DYKYNOJCFOCJRD-DTWKUNHWSA-N 0 3 296.327 -1.023 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)NCC(=O)N1CCC1 ZINC001480483561 892523330 /nfs/dbraw/zinc/52/33/30/892523330.db2.gz IYPBROVMQSKQSD-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](CNC(=O)C(C)(C)C(N)=O)NCC(=O)N1CCC1 ZINC001480482290 892523378 /nfs/dbraw/zinc/52/33/78/892523378.db2.gz UTNKQVCRVTZFON-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)c1cn2c(n1)COCC2)N[C@H](C)C(N)=O ZINC001480487272 892523577 /nfs/dbraw/zinc/52/35/77/892523577.db2.gz UIYMYZOKQLTLJW-RKDXNWHRSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@H](C)C(N)=O ZINC001480517834 892524276 /nfs/dbraw/zinc/52/42/76/892524276.db2.gz JIAVENUQNLJCOE-PHDIDXHHSA-N 0 3 255.282 -2.208 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001480519285 892524544 /nfs/dbraw/zinc/52/45/44/892524544.db2.gz UKXFTALLFBYMOV-ZJUUUORDSA-N 0 3 299.375 -1.371 20 0 CAADHN CCN1CC[C@H](N[C@@H](C)CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001480525932 892524798 /nfs/dbraw/zinc/52/47/98/892524798.db2.gz AQGLIOQNWNNOAE-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(N)=O ZINC001480522615 892524988 /nfs/dbraw/zinc/52/49/88/892524988.db2.gz REAFLRMMDJUKFR-JGVFFNPUSA-N 0 3 256.306 -1.813 20 0 CAADHN C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)NCC(N)=O ZINC001480501244 892525033 /nfs/dbraw/zinc/52/50/33/892525033.db2.gz MTXUILWQFJPXTA-QMMMGPOBSA-N 0 3 281.316 -1.141 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N[C@@H](C)C(=O)NC1CC1 ZINC001480517126 892525260 /nfs/dbraw/zinc/52/52/60/892525260.db2.gz BAGAZFWBDVIWCF-YUMQZZPRSA-N 0 3 295.347 -1.415 20 0 CAADHN C[C@H](CNC(=O)COCC(F)F)NCC(=O)NC(N)=O ZINC001480509846 892525558 /nfs/dbraw/zinc/52/55/58/892525558.db2.gz XSCHYSZBWIOQTG-ZCFIWIBFSA-N 0 3 296.274 -1.443 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@H]1CCNC1=O ZINC001480523858 892525745 /nfs/dbraw/zinc/52/57/45/892525745.db2.gz GNZYHAFUBONUDX-SFYZADRCSA-N 0 3 279.300 -1.634 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@@H]1CCNC1=O ZINC001480523857 892526170 /nfs/dbraw/zinc/52/61/70/892526170.db2.gz GNZYHAFUBONUDX-JGVFFNPUSA-N 0 3 279.300 -1.634 20 0 CAADHN CCN1CC[C@@H](N[C@H](C)CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001480525931 892526498 /nfs/dbraw/zinc/52/64/98/892526498.db2.gz AQGLIOQNWNNOAE-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)N[C@@H]1CCNC1=O ZINC001480491964 892526670 /nfs/dbraw/zinc/52/66/70/892526670.db2.gz YJCNKDCIYPWSHZ-DTWKUNHWSA-N 0 3 296.331 -2.435 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1nnn(C)n1)C(=O)NC1CC1 ZINC001480517124 892526694 /nfs/dbraw/zinc/52/66/94/892526694.db2.gz BAGAZFWBDVIWCF-JGVFFNPUSA-N 0 3 295.347 -1.415 20 0 CAADHN CCN1CC[C@@H](N[C@@H](C)CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001480525933 892526839 /nfs/dbraw/zinc/52/68/39/892526839.db2.gz AQGLIOQNWNNOAE-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@@H](C)C(N)=O ZINC001480517835 892527329 /nfs/dbraw/zinc/52/73/29/892527329.db2.gz JIAVENUQNLJCOE-RITPCOANSA-N 0 3 255.282 -2.208 20 0 CAADHN C[C@H](CNC(=O)[C@]1(C)CCNC1=O)NCC(=O)N1CCC1 ZINC001480536477 892528763 /nfs/dbraw/zinc/52/87/63/892528763.db2.gz RDLXCVNBWKYECE-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)NCC(N)=O ZINC001480543459 892528784 /nfs/dbraw/zinc/52/87/84/892528784.db2.gz KLVSYKVLVUYGEW-ZETCQYMHSA-N 0 3 295.365 -3.038 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](C)N[C@H]2CCNC2=O)CC1 ZINC001480553096 892528893 /nfs/dbraw/zinc/52/88/93/892528893.db2.gz HSOAPNDPTNMFBD-IUCAKERBSA-N 0 3 282.344 -1.505 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001480527533 892529042 /nfs/dbraw/zinc/52/90/42/892529042.db2.gz KNAGBLKAVVWDEJ-VIFPVBQESA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)NCC(=O)N1CCC1 ZINC001480536478 892529365 /nfs/dbraw/zinc/52/93/65/892529365.db2.gz RDLXCVNBWKYECE-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001480527524 892529726 /nfs/dbraw/zinc/52/97/26/892529726.db2.gz KNAGBLKAVVWDEJ-SECBINFHSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@@H](CNC(=O)c1ccnnc1)N[C@@H](C)C(=O)NC(N)=O ZINC001480542988 892529435 /nfs/dbraw/zinc/52/94/35/892529435.db2.gz IKPPVXXWYZACRY-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001480528755 892530171 /nfs/dbraw/zinc/53/01/71/892530171.db2.gz RGFIQFDXOZDBFB-MRVPVSSYSA-N 0 3 294.377 -2.105 20 0 CAADHN CC(C)c1nnnn1CC(=O)NC[C@@H](C)NCC(N)=O ZINC001480550826 892530280 /nfs/dbraw/zinc/53/02/80/892530280.db2.gz ODRQNUIBBUMVAK-MRVPVSSYSA-N 0 3 283.336 -1.624 20 0 CAADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)N[C@@H]1CCNC1=O ZINC001480533653 892530538 /nfs/dbraw/zinc/53/05/38/892530538.db2.gz MNLJEACFAWAWOF-VHSXEESVSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@H](CNC(=O)c1ccnnc1)N[C@@H](C)C(=O)NC(N)=O ZINC001480542965 892530690 /nfs/dbraw/zinc/53/06/90/892530690.db2.gz IKPPVXXWYZACRY-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)NCC(=O)N1CCC1 ZINC001480536475 892530984 /nfs/dbraw/zinc/53/09/84/892530984.db2.gz RDLXCVNBWKYECE-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](C)N[C@@H]2CCNC2=O)CC1 ZINC001480553095 892531010 /nfs/dbraw/zinc/53/10/10/892531010.db2.gz HSOAPNDPTNMFBD-DTWKUNHWSA-N 0 3 282.344 -1.505 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](C)NCC(N)=O)CC1 ZINC001480552510 892531191 /nfs/dbraw/zinc/53/11/91/892531191.db2.gz CPQGBKUACOVXKD-ZETCQYMHSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)N[C@H]1CCNC1=O ZINC001480537825 892531397 /nfs/dbraw/zinc/53/13/97/892531397.db2.gz QJQZOZWGAGMVBD-ONGXEEELSA-N 0 3 294.359 -1.270 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001480527758 892531444 /nfs/dbraw/zinc/53/14/44/892531444.db2.gz RKKJPGAKDAZYGF-YUMQZZPRSA-N 0 3 281.316 -1.388 20 0 CAADHN C[C@@H](CNC(=O)C1(C(N)=O)CC1)NCC(=O)N(C)C1CC1 ZINC001480529314 892531523 /nfs/dbraw/zinc/53/15/23/892531523.db2.gz XBLGQMNFDUEMEJ-VIFPVBQESA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CCn1cnnn1)C(N)=O ZINC001480559753 892532745 /nfs/dbraw/zinc/53/27/45/892532745.db2.gz PWULPMAFOWGFDQ-RKDXNWHRSA-N 0 3 283.336 -1.579 20 0 CAADHN C[C@H](CNC(=O)c1cccn(C)c1=O)N[C@@H]1CCNC1=O ZINC001480573554 892532833 /nfs/dbraw/zinc/53/28/33/892532833.db2.gz MTOGHKDDSXMUMS-MWLCHTKSSA-N 0 3 292.339 -1.018 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cnc(OC)nc1 ZINC001480566301 892532881 /nfs/dbraw/zinc/53/28/81/892532881.db2.gz IEPCCQZSMFIGMK-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)CCNC(N)=O ZINC001480585709 892532962 /nfs/dbraw/zinc/53/29/62/892532962.db2.gz FUUJEUUWQHTEMT-VIFPVBQESA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@H](CNC(=O)c1cccn(C)c1=O)N[C@H]1CCNC1=O ZINC001480573553 892533399 /nfs/dbraw/zinc/53/33/99/892533399.db2.gz MTOGHKDDSXMUMS-KOLCDFICSA-N 0 3 292.339 -1.018 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001480587538 892533574 /nfs/dbraw/zinc/53/35/74/892533574.db2.gz SKGYTWXKCQMNQU-MRVPVSSYSA-N 0 3 299.331 -2.279 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001480573997 892533783 /nfs/dbraw/zinc/53/37/83/892533783.db2.gz SOMOFGQDXQTUQS-SFYZADRCSA-N 0 3 299.331 -2.185 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001480556301 892534108 /nfs/dbraw/zinc/53/41/08/892534108.db2.gz ZXMSFKOQBQWSDR-HTQZYQBOSA-N 0 3 268.321 -1.343 20 0 CAADHN COc1c(C(=O)NC[C@H](C)NCC(N)=O)cnn1C ZINC001480580132 892534266 /nfs/dbraw/zinc/53/42/66/892534266.db2.gz MPKHFDUEHZOASZ-ZETCQYMHSA-N 0 3 269.305 -1.378 20 0 CAADHN C[C@H](CNC(=O)c1ccncn1)N[C@@H](C)C(=O)NC(N)=O ZINC001480555977 892534352 /nfs/dbraw/zinc/53/43/52/892534352.db2.gz IYBACCQFLBKVCY-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001480595531 892534416 /nfs/dbraw/zinc/53/44/16/892534416.db2.gz BZTGSRPRGXTOCS-HTQZYQBOSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@H](CNC(=O)CN1CCC(=O)NC1=O)N[C@@H](C)C(N)=O ZINC001480568084 892534503 /nfs/dbraw/zinc/53/45/03/892534503.db2.gz WSXLSKLFNRPUOZ-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)N[C@@H]1CCNC1=O ZINC001480573552 892534544 /nfs/dbraw/zinc/53/45/44/892534544.db2.gz MTOGHKDDSXMUMS-GXSJLCMTSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@H](CNC(=O)Cc1ncc[nH]1)NCc1nc(=O)n(C)[nH]1 ZINC001480563631 892534645 /nfs/dbraw/zinc/53/46/45/892534645.db2.gz ZILLJWGMEGZHPP-MRVPVSSYSA-N 0 3 293.331 -1.332 20 0 CAADHN C[C@H](CNC(=O)c1ncccn1)N[C@@H](C)C(=O)NC(N)=O ZINC001480559116 892534682 /nfs/dbraw/zinc/53/46/82/892534682.db2.gz ITACJDSNOLXHGS-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001480567488 892534872 /nfs/dbraw/zinc/53/48/72/892534872.db2.gz PRIKLYPDCMHAQC-ZETCQYMHSA-N 0 3 283.288 -1.114 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001480553416 892535165 /nfs/dbraw/zinc/53/51/65/892535165.db2.gz KCLHDZYHCRLKIH-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNC(=O)CN1CCC(=O)NC1=O)N[C@H](C)C(N)=O ZINC001480568082 892535386 /nfs/dbraw/zinc/53/53/86/892535386.db2.gz WSXLSKLFNRPUOZ-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cnc(OC)nc1 ZINC001480566300 892535483 /nfs/dbraw/zinc/53/54/83/892535483.db2.gz IEPCCQZSMFIGMK-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN COc1c(C(=O)NC[C@@H](C)NCC(N)=O)cnn1C ZINC001480580129 892535772 /nfs/dbraw/zinc/53/57/72/892535772.db2.gz MPKHFDUEHZOASZ-SSDOTTSWSA-N 0 3 269.305 -1.378 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](C)N[C@@H]2CCNC2=O)nn1 ZINC001480563811 892535793 /nfs/dbraw/zinc/53/57/93/892535793.db2.gz KHQIVAIOLQXKAO-RKDXNWHRSA-N 0 3 280.332 -1.106 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001480620903 892538100 /nfs/dbraw/zinc/53/81/00/892538100.db2.gz BCOVINYLBKWAPP-VHSXEESVSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)N[C@H]1CCNC1=O ZINC001480599504 892538596 /nfs/dbraw/zinc/53/85/96/892538596.db2.gz IMXHWXYDHMDRCS-BDAKNGLRSA-N 0 3 295.343 -1.680 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001480612739 892539000 /nfs/dbraw/zinc/53/90/00/892539000.db2.gz ORXSDFZVWOPCFD-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001480621220 892539419 /nfs/dbraw/zinc/53/94/19/892539419.db2.gz SERMQDNXMYWJMS-QMMMGPOBSA-N 0 3 266.305 -1.635 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001480667805 892540761 /nfs/dbraw/zinc/54/07/61/892540761.db2.gz DPBBNINYDVUPOV-SSDOTTSWSA-N 0 3 252.278 -1.658 20 0 CAADHN NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001480654174 892541021 /nfs/dbraw/zinc/54/10/21/892541021.db2.gz QTRHPORDPUBOLJ-ZETCQYMHSA-N 0 3 252.278 -1.658 20 0 CAADHN COC[C@@H](O)CN(C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001480734944 892541873 /nfs/dbraw/zinc/54/18/73/892541873.db2.gz PMRUDENLNFZHQM-UWVGGRQHSA-N 0 3 273.333 -1.598 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001480654197 892541982 /nfs/dbraw/zinc/54/19/82/892541982.db2.gz RCOAOAHYRVVVQX-BDAKNGLRSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001480654200 892542514 /nfs/dbraw/zinc/54/25/14/892542514.db2.gz RCOAOAHYRVVVQX-IUCAKERBSA-N 0 3 280.332 -1.009 20 0 CAADHN C[C@H](CCNC(=O)Cc1nnc[n-]1)[NH2+][C@H](C)C(N)=O ZINC001480802223 892544305 /nfs/dbraw/zinc/54/43/05/892544305.db2.gz LQSSVQZYEVJGNF-HTQZYQBOSA-N 0 3 268.321 -1.295 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)C[C@H](C)NC(N)=O ZINC001480864851 892551956 /nfs/dbraw/zinc/55/19/56/892551956.db2.gz VJWZNFUAUURIKP-DTWKUNHWSA-N 0 3 260.338 -1.138 20 0 CAADHN C[C@H](CC(=O)NCCN(C)C[C@H](C)O)NC(N)=O ZINC001480864850 892553285 /nfs/dbraw/zinc/55/32/85/892553285.db2.gz VJWZNFUAUURIKP-BDAKNGLRSA-N 0 3 260.338 -1.138 20 0 CAADHN C[C@@H](C(N)=O)N(C)CCNC(=O)C1=NC(=O)N(C)C1 ZINC001480906968 892557669 /nfs/dbraw/zinc/55/76/69/892557669.db2.gz KXZJHGAFTADHKM-ZETCQYMHSA-N 0 3 269.305 -1.339 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H](C)NC(C)=O ZINC001481203643 892582045 /nfs/dbraw/zinc/58/20/45/892582045.db2.gz DURMTBAKNRJZIN-QMMMGPOBSA-N 0 3 258.322 -1.695 20 0 CAADHN Cc1noc(CCCN(C)CCNC(=O)C(N)=O)n1 ZINC001480912163 892558928 /nfs/dbraw/zinc/55/89/28/892558928.db2.gz KRFZZSUOJHORKI-UHFFFAOYSA-N 0 3 269.305 -1.156 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CN1C(=O)CCC1=O ZINC001480944531 892562133 /nfs/dbraw/zinc/56/21/33/892562133.db2.gz LODDPMIJQZWWAW-VIFPVBQESA-N 0 3 271.317 -1.436 20 0 CAADHN CN(CCCO)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001480944557 892562439 /nfs/dbraw/zinc/56/24/39/892562439.db2.gz MPUIFNALJGBHCI-UHFFFAOYSA-N 0 3 286.332 -1.689 20 0 CAADHN COC[C@H](C)N(C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001480917285 892563279 /nfs/dbraw/zinc/56/32/79/892563279.db2.gz KEJYKAUWGFJDKJ-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CN(CCO)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC001480945102 892563667 /nfs/dbraw/zinc/56/36/67/892563667.db2.gz VWXIONZQAOOUML-UHFFFAOYSA-N 0 3 272.305 -2.079 20 0 CAADHN CCOCCN(C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001480942200 892564373 /nfs/dbraw/zinc/56/43/73/892564373.db2.gz YIYPDDHCGNPOFE-UHFFFAOYSA-N 0 3 299.375 -1.025 20 0 CAADHN CN(CCCO)CCNC(=O)c1nccnc1C(N)=O ZINC001480945143 892564679 /nfs/dbraw/zinc/56/46/79/892564679.db2.gz WUHCGPZHHKPGKT-UHFFFAOYSA-N 0 3 281.316 -1.381 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CCS(=O)(=O)N(C)C ZINC001480950691 892570022 /nfs/dbraw/zinc/57/00/22/892570022.db2.gz XVIFQRQWLRSPHB-SNVBAGLBSA-N 0 3 295.405 -1.303 20 0 CAADHN CCN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)CCn1cncn1 ZINC001481000809 892571012 /nfs/dbraw/zinc/57/10/12/892571012.db2.gz GBHRZGNWOLILCG-MNOVXSKESA-N 0 3 294.359 -1.162 20 0 CAADHN CN1CC(=O)N(CC(=O)NC[C@H]2CCCN2CCO)C1=O ZINC001481068687 892573455 /nfs/dbraw/zinc/57/34/55/892573455.db2.gz QRNXKHHKJZSSBY-SNVBAGLBSA-N 0 3 298.343 -1.547 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCCN1CCO ZINC001481059825 892574794 /nfs/dbraw/zinc/57/47/94/892574794.db2.gz QLOSYUSYPLJSHU-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN CCCC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001481108080 892577161 /nfs/dbraw/zinc/57/71/61/892577161.db2.gz OKHLYGYIMLKQRT-ZJUUUORDSA-N 0 3 284.360 -1.046 20 0 CAADHN O=C(CN1CCCNC1=O)NCCN(CCO)C1CC1 ZINC001481177719 892577272 /nfs/dbraw/zinc/57/72/72/892577272.db2.gz HIQIMKSNLVJXPJ-UHFFFAOYSA-N 0 3 284.360 -1.025 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1nccnc1N ZINC001481215003 892581401 /nfs/dbraw/zinc/58/14/01/892581401.db2.gz DZMOKKLIVIMAOX-MRVPVSSYSA-N 0 3 280.332 -1.145 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1COCCO1 ZINC001481208617 892581762 /nfs/dbraw/zinc/58/17/62/892581762.db2.gz DZLGJLLIAGPGLP-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1COCCO1 ZINC001481208616 892581676 /nfs/dbraw/zinc/58/16/76/892581676.db2.gz DZLGJLLIAGPGLP-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CCn1cccn1 ZINC001481208077 892582057 /nfs/dbraw/zinc/58/20/57/892582057.db2.gz BJBZWLMIDVSASF-UHFFFAOYSA-N 0 3 253.306 -1.194 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cocn1)C(=O)NC(N)=O ZINC001481214104 892582083 /nfs/dbraw/zinc/58/20/83/892582083.db2.gz QDOIXJGJLDFDRA-ZETCQYMHSA-N 0 3 283.288 -1.080 20 0 CAADHN CN(CCNCC(N)=O)C(=O)Cc1cnn(C)c1 ZINC001481212677 892582154 /nfs/dbraw/zinc/58/21/54/892582154.db2.gz PUGKWOWDLJLORE-UHFFFAOYSA-N 0 3 253.306 -1.504 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1COCCO1 ZINC001481208271 892582203 /nfs/dbraw/zinc/58/22/03/892582203.db2.gz AHHZPOGFEQZVHQ-WDEREUQCSA-N 0 3 285.344 -1.320 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCN[C@@H](C)C(=O)N(C)C ZINC001481208181 892582391 /nfs/dbraw/zinc/58/23/91/892582391.db2.gz DTPIOGVSJOIOCX-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001481214274 892582450 /nfs/dbraw/zinc/58/24/50/892582450.db2.gz SVDHDQTZAFOJAJ-RKDXNWHRSA-N 0 3 296.327 -1.882 20 0 CAADHN Cc1[nH]nc(C(=O)N(C)CCNCC(=O)NC(N)=O)c1C ZINC001481216043 892582606 /nfs/dbraw/zinc/58/26/06/892582606.db2.gz WPUZKWIBZIPZBA-UHFFFAOYSA-N 0 3 296.331 -1.117 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1COCCO1 ZINC001481208618 892582776 /nfs/dbraw/zinc/58/27/76/892582776.db2.gz DZLGJLLIAGPGLP-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001481203551 892582820 /nfs/dbraw/zinc/58/28/20/892582820.db2.gz CAZONVQMIVOOCT-PSASIEDQSA-N 0 3 298.343 -1.636 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1nccnc1N ZINC001481215015 892583008 /nfs/dbraw/zinc/58/30/08/892583008.db2.gz DZMOKKLIVIMAOX-QMMMGPOBSA-N 0 3 280.332 -1.145 20 0 CAADHN COCC(=O)N(C)CCNCC(=O)NC[C@@H]1CCCO1 ZINC001481199998 892583165 /nfs/dbraw/zinc/58/31/65/892583165.db2.gz YBBJLJDTXUVNKQ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cnn(C)c1)C(=O)NC(N)=O ZINC001481208029 892583303 /nfs/dbraw/zinc/58/33/03/892583303.db2.gz ZLSQVFNSERQZGW-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN C[C@@H](C(=O)N(C)CCNCC(=O)NC(N)=O)n1cccn1 ZINC001481208640 892583611 /nfs/dbraw/zinc/58/36/11/892583611.db2.gz FOMHQNMDRQNZHW-VIFPVBQESA-N 0 3 296.331 -1.313 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1COCCO1 ZINC001481208268 892584165 /nfs/dbraw/zinc/58/41/65/892584165.db2.gz AHHZPOGFEQZVHQ-QWRGUYRKSA-N 0 3 285.344 -1.320 20 0 CAADHN COC(=O)NCC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001481211382 892584238 /nfs/dbraw/zinc/58/42/38/892584238.db2.gz VIDZUEPSOAUCHH-MRVPVSSYSA-N 0 3 272.305 -1.721 20 0 CAADHN Cc1nn(C)cc1C(=O)N(C)CCNCC(N)=O ZINC001481216051 892584283 /nfs/dbraw/zinc/58/42/83/892584283.db2.gz XDWWQMREQJZDRN-UHFFFAOYSA-N 0 3 253.306 -1.125 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ncc[nH]1)C(=O)NC(N)=O ZINC001481227690 892585186 /nfs/dbraw/zinc/58/51/86/892585186.db2.gz ALESZBHIAFTYTG-SSDOTTSWSA-N 0 3 282.304 -1.345 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001481223650 892585221 /nfs/dbraw/zinc/58/52/21/892585221.db2.gz OGFXLLZPXLOEGY-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CN(CCNCc1cnn(C)c1)C(=O)Cn1ncnn1 ZINC001481230970 892585317 /nfs/dbraw/zinc/58/53/17/892585317.db2.gz KWTLKFMUQWIZAW-UHFFFAOYSA-N 0 3 278.320 -1.345 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1COC(=O)N1)C(=O)NC1CC1 ZINC001481225484 892585677 /nfs/dbraw/zinc/58/56/77/892585677.db2.gz PSUOKUILDSWIOX-WCBMZHEXSA-N 0 3 298.343 -1.190 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)Cc1ccn(C)n1 ZINC001481228603 892585735 /nfs/dbraw/zinc/58/57/35/892585735.db2.gz CKKKUJQFJJWIJC-NSHDSACASA-N 0 3 279.344 -1.101 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1COC(=O)N1 ZINC001481225644 892585878 /nfs/dbraw/zinc/58/58/78/892585878.db2.gz RLHZXNGVBGOJNQ-DTWKUNHWSA-N 0 3 284.316 -1.627 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1COC(=O)N1)C(=O)NC1CC1 ZINC001481225482 892586013 /nfs/dbraw/zinc/58/60/13/892586013.db2.gz PSUOKUILDSWIOX-SCZZXKLOSA-N 0 3 298.343 -1.190 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1COC(=O)N1 ZINC001481225029 892586069 /nfs/dbraw/zinc/58/60/69/892586069.db2.gz IDXWCTBOLRYGEG-RKDXNWHRSA-N 0 3 284.316 -1.579 20 0 CAADHN CN(CCNCc1ccnn1C)C(=O)CC(N)=O ZINC001481216955 892586154 /nfs/dbraw/zinc/58/61/54/892586154.db2.gz WOMBKMQCWAXQEQ-UHFFFAOYSA-N 0 3 253.306 -1.157 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CCNC(=O)NC ZINC001481226566 892586188 /nfs/dbraw/zinc/58/61/88/892586188.db2.gz FCCISSIJQZGPGA-UHFFFAOYSA-N 0 3 273.337 -1.901 20 0 CAADHN CCn1nncc1C(=O)N(C)CCNCC(N)=O ZINC001481226530 892586375 /nfs/dbraw/zinc/58/63/75/892586375.db2.gz GZSOQTLVEXLQNN-UHFFFAOYSA-N 0 3 254.294 -1.555 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)CCn1ccnn1 ZINC001481224613 892586397 /nfs/dbraw/zinc/58/63/97/892586397.db2.gz XAVJJKMSRHORPV-UHFFFAOYSA-N 0 3 297.319 -2.089 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1COC(=O)N1)C(=O)NC1CC1 ZINC001481225481 892586420 /nfs/dbraw/zinc/58/64/20/892586420.db2.gz PSUOKUILDSWIOX-PSASIEDQSA-N 0 3 298.343 -1.190 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1cn(C)cn1 ZINC001481220266 892586930 /nfs/dbraw/zinc/58/69/30/892586930.db2.gz OGTUEIFQVXJFSW-UHFFFAOYSA-N 0 3 282.304 -1.723 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001481226086 892587481 /nfs/dbraw/zinc/58/74/81/892587481.db2.gz ZZALZLDYOHMJPX-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@H]1COC(=O)N1 ZINC001481226087 892587583 /nfs/dbraw/zinc/58/75/83/892587583.db2.gz ZZALZLDYOHMJPX-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)C(C)(C)C(N)=O ZINC001481243196 892589251 /nfs/dbraw/zinc/58/92/51/892589251.db2.gz IXFOHPORNBZQGW-MRVPVSSYSA-N 0 3 272.349 -1.320 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001481252616 892589550 /nfs/dbraw/zinc/58/95/50/892589550.db2.gz YEXDNCNLJHWBLP-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H]1CO[C@H](C(=O)N(C)CCNCC(=O)NC(N)=O)C1 ZINC001481260797 892589664 /nfs/dbraw/zinc/58/96/64/892589664.db2.gz XOKPZCUURPATRS-IUCAKERBSA-N 0 3 286.332 -1.346 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)Cc1cncs1 ZINC001481241759 892590036 /nfs/dbraw/zinc/59/00/36/892590036.db2.gz LKAJBLLVUHMSJL-UHFFFAOYSA-N 0 3 299.356 -1.072 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cc2n(n1)CCO2 ZINC001481240377 892590153 /nfs/dbraw/zinc/59/01/53/892590153.db2.gz HGKMFTXZKCWVHR-SECBINFHSA-N 0 3 293.327 -1.174 20 0 CAADHN C[C@@H](NCCN(C)C(=O)COCc1nccn1C)C(N)=O ZINC001481244099 892590213 /nfs/dbraw/zinc/59/02/13/892590213.db2.gz JYPZAVFGGUCNCD-SNVBAGLBSA-N 0 3 297.359 -1.142 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCc2cncn2C1 ZINC001481249880 892590236 /nfs/dbraw/zinc/59/02/36/892590236.db2.gz KJOKDPSKYFZFAC-JTQLQIEISA-N 0 3 279.344 -1.021 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@@H]1CCCC(=O)N1)C(N)=O ZINC001481255651 892590248 /nfs/dbraw/zinc/59/02/48/892590248.db2.gz OJVFXFHLFKIHIR-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cncn1C)C(=O)NC(N)=O ZINC001481253313 892590259 /nfs/dbraw/zinc/59/02/59/892590259.db2.gz GNVOPPCUJDYYSW-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1ccn(CCOC)n1 ZINC001481254350 892590296 /nfs/dbraw/zinc/59/02/96/892590296.db2.gz HJOHUSDPBIAWNK-UHFFFAOYSA-N 0 3 297.359 -1.063 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001481242332 892590363 /nfs/dbraw/zinc/59/03/63/892590363.db2.gz HCMOOBCEVINVFC-SECBINFHSA-N 0 3 295.343 -1.294 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001481243937 892590374 /nfs/dbraw/zinc/59/03/74/892590374.db2.gz GSOIAJGOQJFHPR-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001481252619 892590449 /nfs/dbraw/zinc/59/04/49/892590449.db2.gz YEXDNCNLJHWBLP-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(CCNCCF)C(=O)CN1CCNC(=O)C1 ZINC001481265395 892590772 /nfs/dbraw/zinc/59/07/72/892590772.db2.gz KZPGLIWJADCLCV-UHFFFAOYSA-N 0 3 260.313 -1.564 20 0 CAADHN C[C@H]1CO[C@@H](C(=O)N(C)CCNCC(=O)NC(N)=O)C1 ZINC001481260799 892590812 /nfs/dbraw/zinc/59/08/12/892590812.db2.gz XOKPZCUURPATRS-RKDXNWHRSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cncn1C)C(=O)NC(N)=O ZINC001481253312 892591604 /nfs/dbraw/zinc/59/16/04/892591604.db2.gz GNVOPPCUJDYYSW-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001481252617 892591865 /nfs/dbraw/zinc/59/18/65/892591865.db2.gz YEXDNCNLJHWBLP-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CCNC1=O ZINC001481267502 892592861 /nfs/dbraw/zinc/59/28/61/892592861.db2.gz ZWPBTRSWIUACDO-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1nnn(C)n1 ZINC001481268632 892593017 /nfs/dbraw/zinc/59/30/17/892593017.db2.gz LCDSNDHKRLTNLA-UHFFFAOYSA-N 0 3 255.282 -2.382 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001481266865 892593101 /nfs/dbraw/zinc/59/31/01/892593101.db2.gz NQKKYZDUEKZDPL-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)C1(C(N)=O)CC1 ZINC001481272915 892593498 /nfs/dbraw/zinc/59/34/98/892593498.db2.gz LERVRBFWGSEIIR-UHFFFAOYSA-N 0 3 270.333 -1.564 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001481266864 892593602 /nfs/dbraw/zinc/59/36/02/892593602.db2.gz NQKKYZDUEKZDPL-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CCNC1=O ZINC001481267500 892594357 /nfs/dbraw/zinc/59/43/57/892594357.db2.gz ZWPBTRSWIUACDO-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)c1c[nH]c(=O)cn1 ZINC001481273716 892594658 /nfs/dbraw/zinc/59/46/58/892594658.db2.gz YXQYGAQXITYYTQ-UHFFFAOYSA-N 0 3 293.327 -1.336 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)C(=O)N(C)C ZINC001481279747 892594851 /nfs/dbraw/zinc/59/48/51/892594851.db2.gz OCHVKQYDXIXVNK-AEJSXWLSSA-N 0 3 284.360 -1.368 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CCNC1=O ZINC001481267501 892594877 /nfs/dbraw/zinc/59/48/77/892594877.db2.gz ZWPBTRSWIUACDO-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCN[C@H]2CCN(C)C2=O)CC1 ZINC001481291982 892595343 /nfs/dbraw/zinc/59/53/43/892595343.db2.gz VCFIMHVRRAIHRZ-JTQLQIEISA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)CCNC(N)=O ZINC001481314389 892596321 /nfs/dbraw/zinc/59/63/21/892596321.db2.gz KCGTZBKANXUTCG-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CCc1cn(C)nn1 ZINC001481323196 892596642 /nfs/dbraw/zinc/59/66/42/892596642.db2.gz CNARXNCQYFBBSR-JTQLQIEISA-N 0 3 296.375 -1.070 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CCn1cnccc1=O ZINC001481299801 892596671 /nfs/dbraw/zinc/59/66/71/892596671.db2.gz ZJWPSDJJZSFQGA-UHFFFAOYSA-N 0 3 281.316 -1.833 20 0 CAADHN CCCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001481405791 892596986 /nfs/dbraw/zinc/59/69/86/892596986.db2.gz LLISNCYTRPASNB-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N(C)CCNCCF ZINC001481309478 892597011 /nfs/dbraw/zinc/59/70/11/892597011.db2.gz CLCDBYMAYUMMRM-UHFFFAOYSA-N 0 3 269.342 -1.105 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001481322362 892597037 /nfs/dbraw/zinc/59/70/37/892597037.db2.gz BKHGIAVWNQSNDB-UHFFFAOYSA-N 0 3 293.327 -1.412 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1cncn1)C(=O)NC(N)=O ZINC001481312672 892597340 /nfs/dbraw/zinc/59/73/40/892597340.db2.gz XQXIWBNHCSAODB-MRVPVSSYSA-N 0 3 297.319 -2.091 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CCn1cnnn1)C(N)=O ZINC001481295422 892597421 /nfs/dbraw/zinc/59/74/21/892597421.db2.gz UTFYPHHJPUYMSP-SECBINFHSA-N 0 3 283.336 -1.625 20 0 CAADHN Cc1nccn1CC(=O)N(C)CCNCC(N)=O ZINC001481314524 892597453 /nfs/dbraw/zinc/59/74/53/892597453.db2.gz HGQDIZFVMHKPSW-UHFFFAOYSA-N 0 3 253.306 -1.275 20 0 CAADHN CN(CCNCC(N)=O)C(=O)Cc1cncn1C ZINC001481304128 892597543 /nfs/dbraw/zinc/59/75/43/892597543.db2.gz JLEQEIZXSWCSPG-UHFFFAOYSA-N 0 3 253.306 -1.504 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CCn1cnnn1 ZINC001481294771 892597597 /nfs/dbraw/zinc/59/75/97/892597597.db2.gz GHWANLYKCWRGIE-UHFFFAOYSA-N 0 3 269.309 -2.143 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)N(C)CCNCC(N)=O ZINC001481317966 892598043 /nfs/dbraw/zinc/59/80/43/892598043.db2.gz ODHWRFGVHOGJGF-UHFFFAOYSA-N 0 3 294.377 -2.199 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)Cc1cncn1C ZINC001481303993 892597852 /nfs/dbraw/zinc/59/78/52/892597852.db2.gz FDTZWWVQJIFMFZ-NSHDSACASA-N 0 3 279.344 -1.101 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)c1cnon1 ZINC001481294440 892598072 /nfs/dbraw/zinc/59/80/72/892598072.db2.gz KXGOCNLHIXFJTR-SSDOTTSWSA-N 0 3 281.272 -1.464 20 0 CAADHN CN(CCNCCF)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001481312389 892598236 /nfs/dbraw/zinc/59/82/36/892598236.db2.gz MVNYMBYPDHJBOI-MRVPVSSYSA-N 0 3 274.296 -1.008 20 0 CAADHN CCCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001481405792 892598258 /nfs/dbraw/zinc/59/82/58/892598258.db2.gz LLISNCYTRPASNB-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)CCNC(N)=O ZINC001481312255 892598324 /nfs/dbraw/zinc/59/83/24/892598324.db2.gz HEUIKGUKYLCRLS-UHFFFAOYSA-N 0 3 285.348 -1.675 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001481305960 892598872 /nfs/dbraw/zinc/59/88/72/892598872.db2.gz UVIVRPZFJARJFD-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CCCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(CCO)C1 ZINC001481405794 892598932 /nfs/dbraw/zinc/59/89/32/892598932.db2.gz LLISNCYTRPASNB-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN CC(C)N(CCCNC(=O)C(N)=O)CC(=O)N(C)C ZINC001481354161 892599030 /nfs/dbraw/zinc/59/90/30/892599030.db2.gz NGDMDSZXURRKSC-UHFFFAOYSA-N 0 3 272.349 -1.223 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001481316222 892599115 /nfs/dbraw/zinc/59/91/15/892599115.db2.gz QKTFDXYHERJYIM-UHFFFAOYSA-N 0 3 295.343 -1.137 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001481524204 892600585 /nfs/dbraw/zinc/60/05/85/892600585.db2.gz WQDOMWXAGKSKSP-ZJUUUORDSA-N 0 3 273.333 -1.550 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](NC(=O)CC(N)=O)C1 ZINC001481524203 892601046 /nfs/dbraw/zinc/60/10/46/892601046.db2.gz WQDOMWXAGKSKSP-NXEZZACHSA-N 0 3 273.333 -1.550 20 0 CAADHN NC(=O)C(=O)NCC[C@H]1CCN(CC(=O)N2CCCC2)C1 ZINC001481443374 892601334 /nfs/dbraw/zinc/60/13/34/892601334.db2.gz ADVZWQJRGYXJMT-NSHDSACASA-N 0 3 296.371 -1.078 20 0 CAADHN COCCCN1CCN(CCN(C)C(=O)C(N)=O)CC1 ZINC001481470922 892602218 /nfs/dbraw/zinc/60/22/18/892602218.db2.gz INLBTEJAKDPTOQ-UHFFFAOYSA-N 0 3 286.376 -1.416 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)CCNC(N)=O)C1 ZINC001481460006 892601885 /nfs/dbraw/zinc/60/18/85/892601885.db2.gz UEOWBAYIBHAAMG-JTQLQIEISA-N 0 3 299.375 -1.381 20 0 CAADHN CC[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001481498244 892602373 /nfs/dbraw/zinc/60/23/73/892602373.db2.gz PZJLFNQRTMTWNO-BDAKNGLRSA-N 0 3 270.333 -1.484 20 0 CAADHN CN(C)C1(C(=O)NC2CN(Cc3nnnn3C)C2)CCC1 ZINC001481564402 892607968 /nfs/dbraw/zinc/60/79/68/892607968.db2.gz PLAIJGYUGQEREX-UHFFFAOYSA-N 0 3 293.375 -1.005 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001481582711 892610302 /nfs/dbraw/zinc/61/03/02/892610302.db2.gz QVNPBZUKWGTWDS-VIFPVBQESA-N 0 3 297.359 -1.677 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2CN(CC(=O)NC(N)=O)C2)C1 ZINC001481582709 892610364 /nfs/dbraw/zinc/61/03/64/892610364.db2.gz QVNPBZUKWGTWDS-SECBINFHSA-N 0 3 297.359 -1.677 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001481631271 892613831 /nfs/dbraw/zinc/61/38/31/892613831.db2.gz VRKBOKYNFZXBJE-SNVBAGLBSA-N 0 3 287.360 -1.447 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001481623382 892613902 /nfs/dbraw/zinc/61/39/02/892613902.db2.gz ZUKAHTNZXLMYGR-WCBMZHEXSA-N 0 3 288.348 -1.902 20 0 CAADHN CNC(=O)NCC(=O)NCC1CN(C[C@H](C)O)C1 ZINC001481628596 892613917 /nfs/dbraw/zinc/61/39/17/892613917.db2.gz WIANMNCMUPGNAS-QMMMGPOBSA-N 0 3 258.322 -1.656 20 0 CAADHN CNC(=O)NCC(=O)NCC1CN(C[C@H](C)OC)C1 ZINC001481627763 892614002 /nfs/dbraw/zinc/61/40/02/892614002.db2.gz GXDDUJJTBDKEIW-VIFPVBQESA-N 0 3 272.349 -1.002 20 0 CAADHN NC(=O)c1ncn(CC(=O)NCC2CN(CCCO)C2)n1 ZINC001481626272 892614131 /nfs/dbraw/zinc/61/41/31/892614131.db2.gz IKSFYZAZCGBTQN-UHFFFAOYSA-N 0 3 296.331 -2.193 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001481624942 892614432 /nfs/dbraw/zinc/61/44/32/892614432.db2.gz NRNWNELGUJZRKI-DTWKUNHWSA-N 0 3 272.349 -1.138 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CCn2cnnn2)C1 ZINC001481650383 892617821 /nfs/dbraw/zinc/61/78/21/892617821.db2.gz MHDOTVIBYZVKDL-VIFPVBQESA-N 0 3 268.321 -1.508 20 0 CAADHN Cn1cnn(CCC(=O)NCC2CN(CCCO)C2)c1=O ZINC001481636832 892618216 /nfs/dbraw/zinc/61/82/16/892618216.db2.gz OOKSUYUVSYBQRY-UHFFFAOYSA-N 0 3 297.359 -1.598 20 0 CAADHN O=C(CCN1C(=O)CCC1=O)NCC1CN(CCCO)C1 ZINC001481633824 892618228 /nfs/dbraw/zinc/61/82/28/892618228.db2.gz CIWWTTNWZGPQFZ-UHFFFAOYSA-N 0 3 297.355 -1.044 20 0 CAADHN Cn1ccc(CN2CC[C@H](NC(=O)CC(N)=O)C2)cc1=O ZINC001481686599 892619580 /nfs/dbraw/zinc/61/95/80/892619580.db2.gz LXSABJTWPXNBLR-NSHDSACASA-N 0 3 292.339 -1.049 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001481687453 892619815 /nfs/dbraw/zinc/61/98/15/892619815.db2.gz JGVIYAXTMFCPLD-VGMNWLOBSA-N 0 3 258.322 -1.386 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001481687452 892620394 /nfs/dbraw/zinc/62/03/94/892620394.db2.gz JGVIYAXTMFCPLD-CIUDSAMLSA-N 0 3 258.322 -1.386 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2C(C)C ZINC001481675575 892621281 /nfs/dbraw/zinc/62/12/81/892621281.db2.gz SYAMRVISAFJXQD-UWVGGRQHSA-N 0 3 290.389 -1.266 20 0 CAADHN CC[C@H](CNC(=O)c1cnccn1)NCC(=O)NC(N)=O ZINC001481784673 892623461 /nfs/dbraw/zinc/62/34/61/892623461.db2.gz PVWIBZHGZAWVPA-MRVPVSSYSA-N 0 3 294.315 -1.231 20 0 CAADHN CCN(C(=O)Cn1cnnn1)[C@H]1CCN(CCCO)C1 ZINC001481757619 892623525 /nfs/dbraw/zinc/62/35/25/892623525.db2.gz NFNPVHNRGADWIU-NSHDSACASA-N 0 3 282.348 -1.022 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)CC(N)=O)C1 ZINC001481723543 892623546 /nfs/dbraw/zinc/62/35/46/892623546.db2.gz ZKRPXXCDODYGRI-VHSXEESVSA-N 0 3 273.333 -1.598 20 0 CAADHN CCN(C(=O)Cn1ncnn1)[C@@H]1CCN(CCO)C1 ZINC001481769796 892623752 /nfs/dbraw/zinc/62/37/52/892623752.db2.gz WNCOPTRZZCILCD-SNVBAGLBSA-N 0 3 268.321 -1.412 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001481703356 892624281 /nfs/dbraw/zinc/62/42/81/892624281.db2.gz UTZVDOWOTBWNKK-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)C2(C(N)=O)CC2)C1 ZINC001481740698 892624356 /nfs/dbraw/zinc/62/43/56/892624356.db2.gz SCPRGPQEOXCLLY-MNOVXSKESA-N 0 3 299.371 -1.208 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001481703357 892625309 /nfs/dbraw/zinc/62/53/09/892625309.db2.gz UTZVDOWOTBWNKK-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN CCN(C(=O)Cn1ncnn1)[C@H]1CCN(CCO)C1 ZINC001481769795 892625761 /nfs/dbraw/zinc/62/57/61/892625761.db2.gz WNCOPTRZZCILCD-JTQLQIEISA-N 0 3 268.321 -1.412 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](CC)N[C@@H](C)C(N)=O ZINC001481798066 892626652 /nfs/dbraw/zinc/62/66/52/892626652.db2.gz MXBUZRNBLUFWIR-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NC1CC1 ZINC001481845255 892627093 /nfs/dbraw/zinc/62/70/93/892627093.db2.gz CFHUVTTWNSOLJZ-SCZZXKLOSA-N 0 3 297.359 -1.569 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)NC(C)=O)NCC(N)=O ZINC001481786633 892627285 /nfs/dbraw/zinc/62/72/85/892627285.db2.gz LPQVLXNZJVFJFZ-IONNQARKSA-N 0 3 258.322 -1.519 20 0 CAADHN CC[C@@H](CNC(=O)CC(N)=O)N[C@@H](C)C(=O)N(C)C ZINC001481798610 892627566 /nfs/dbraw/zinc/62/75/66/892627566.db2.gz SMDOIVMFEMGCLO-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)n1cncn1)NCC(N)=O ZINC001481802647 892627605 /nfs/dbraw/zinc/62/76/05/892627605.db2.gz FEZVXYHUZPXFIB-IUCAKERBSA-N 0 3 268.321 -1.191 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)N[C@H](C)C(N)=O ZINC001481827202 892627637 /nfs/dbraw/zinc/62/76/37/892627637.db2.gz XUQGMPNJZFLHMN-BDAKNGLRSA-N 0 3 298.347 -2.060 20 0 CAADHN CC[C@@H](CNC(=O)C(=O)NCC(F)F)N[C@@H](C)C(N)=O ZINC001481828124 892627753 /nfs/dbraw/zinc/62/77/53/892627753.db2.gz QDDDDJBOVCKODX-BQBZGAKWSA-N 0 3 294.302 -1.274 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)NCC(=O)NC(C)C ZINC001481790232 892627790 /nfs/dbraw/zinc/62/77/90/892627790.db2.gz OATRVSDYKTZUFI-SNVBAGLBSA-N 0 3 297.363 -1.318 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)NC(C)=O)NCC(N)=O ZINC001481786632 892627907 /nfs/dbraw/zinc/62/79/07/892627907.db2.gz LPQVLXNZJVFJFZ-CBAPKCEASA-N 0 3 258.322 -1.519 20 0 CAADHN CC[C@H](CNC(=O)c1cnc[n-]c1=O)[NH2+]CC(N)=O ZINC001481822329 892628053 /nfs/dbraw/zinc/62/80/53/892628053.db2.gz IKNHWNWPSLFLEQ-SSDOTTSWSA-N 0 3 267.289 -1.235 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(=O)NC)N[C@@H]1CCNC1=O ZINC001481808101 892628142 /nfs/dbraw/zinc/62/81/42/892628142.db2.gz RGCNHQMPHXPUOV-VHSXEESVSA-N 0 3 299.375 -1.322 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)OC)NCC(=O)NC(=O)NC ZINC001481793765 892628160 /nfs/dbraw/zinc/62/81/60/892628160.db2.gz JHOYEOMQHWUXKJ-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(=O)NC)N[C@H]1CCNC1=O ZINC001481808100 892628173 /nfs/dbraw/zinc/62/81/73/892628173.db2.gz RGCNHQMPHXPUOV-UWVGGRQHSA-N 0 3 299.375 -1.322 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)N[C@@H]1CCNC1=O ZINC001481840295 892628265 /nfs/dbraw/zinc/62/82/65/892628265.db2.gz DZNIZOOYMZPUOC-JGVFFNPUSA-N 0 3 281.320 -1.803 20 0 CAADHN CC[C@H](CNC(=O)C(=O)NCC(F)F)N[C@H](C)C(N)=O ZINC001481828126 892628292 /nfs/dbraw/zinc/62/82/92/892628292.db2.gz QDDDDJBOVCKODX-RNFRBKRXSA-N 0 3 294.302 -1.274 20 0 CAADHN CC[C@@H](CNC(=O)CC(N)=O)NCC(=O)N(C)C1CC1 ZINC001481796103 892628397 /nfs/dbraw/zinc/62/83/97/892628397.db2.gz CEGFCVPDWUDPSR-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](CNC(=O)C(=O)NCC(F)F)N[C@@H](C)C(N)=O ZINC001481828125 892628503 /nfs/dbraw/zinc/62/85/03/892628503.db2.gz QDDDDJBOVCKODX-NKWVEPMBSA-N 0 3 294.302 -1.274 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(N)=O ZINC001481840581 892628526 /nfs/dbraw/zinc/62/85/26/892628526.db2.gz IYJXZDPTVKJYMJ-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](CNC(=O)Cc1cnn(C)c1)NCC(N)=O ZINC001481793618 892628568 /nfs/dbraw/zinc/62/85/68/892628568.db2.gz CDWHBPVLBAQQFS-SNVBAGLBSA-N 0 3 267.333 -1.068 20 0 CAADHN NC(=O)C(=O)NC1(CN[C@H]2CCNC2=O)CCCC1 ZINC001481904745 892629960 /nfs/dbraw/zinc/62/99/60/892629960.db2.gz HRNXHXPHLOZXGY-QMMMGPOBSA-N 0 3 268.317 -1.621 20 0 CAADHN CC[C@H](CNC(=O)CN1C(=O)CCC1=O)NCC(N)=O ZINC001481873419 892630041 /nfs/dbraw/zinc/63/00/41/892630041.db2.gz AIPQMCJJPCSKNM-MRVPVSSYSA-N 0 3 284.316 -1.895 20 0 CAADHN COCC(=O)N[C@@](C)(CNCC(=O)NC(N)=O)C1CC1 ZINC001481914443 892630144 /nfs/dbraw/zinc/63/01/44/892630144.db2.gz UZIQTTWSAJPMAV-LBPRGKRZSA-N 0 3 286.332 -1.298 20 0 CAADHN Cn1nncc1C(=O)NC1(CNCC(N)=O)CCCC1 ZINC001481895127 892630244 /nfs/dbraw/zinc/63/02/44/892630244.db2.gz DVJZXGKDEGUMRI-UHFFFAOYSA-N 0 3 280.332 -1.067 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NCC(=O)N(CC)C1CC1 ZINC001481850658 892630296 /nfs/dbraw/zinc/63/02/96/892630296.db2.gz WRKOAPCDPNMIGW-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCc2nncn2C1)NCC(N)=O ZINC001481880785 892630676 /nfs/dbraw/zinc/63/06/76/892630676.db2.gz HCTNLTNEMMRVDB-NXEZZACHSA-N 0 3 294.359 -1.190 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NCC(N)=O ZINC001481882830 892630712 /nfs/dbraw/zinc/63/07/12/892630712.db2.gz RBSOTOLUNPCSEF-QMMMGPOBSA-N 0 3 283.332 -1.693 20 0 CAADHN CC[C@H](CNC(=O)CN1C(=O)CNC1=O)NCC(=O)NC ZINC001481876001 892630988 /nfs/dbraw/zinc/63/09/88/892630988.db2.gz MWDKONLWWBEHNJ-MRVPVSSYSA-N 0 3 299.331 -2.231 20 0 CAADHN CC[C@H](CNC(=O)C1CC(=O)NC(=O)C1)N[C@H](C)C(N)=O ZINC001481859560 892631123 /nfs/dbraw/zinc/63/11/23/892631123.db2.gz GLIMZVAAIOTCJP-VXNVDRBHSA-N 0 3 298.343 -1.603 20 0 CAADHN CN1CCO[C@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001481892090 892631154 /nfs/dbraw/zinc/63/11/54/892631154.db2.gz YIEKWZFFTOVDKP-NSHDSACASA-N 0 3 298.387 -1.179 20 0 CAADHN CC[C@H](CNC(=O)CN1C(=O)CCC1=O)NCC(=O)NC ZINC001481874851 892631229 /nfs/dbraw/zinc/63/12/29/892631229.db2.gz HLFMYCILPXICAF-SECBINFHSA-N 0 3 298.343 -1.634 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001481919410 892631414 /nfs/dbraw/zinc/63/14/14/892631414.db2.gz QMCOVVFOSHPQFE-ISVAXAHUSA-N 0 3 284.360 -1.129 20 0 CAADHN COCC(=O)N[C@](C)(CNCC(=O)NC(N)=O)C1CC1 ZINC001481914442 892631462 /nfs/dbraw/zinc/63/14/62/892631462.db2.gz UZIQTTWSAJPMAV-GFCCVEGCSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001481919413 892631630 /nfs/dbraw/zinc/63/16/30/892631630.db2.gz QMCOVVFOSHPQFE-OQPBUACISA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)CN1C(=O)CCC1=O)NCC(N)=O ZINC001481873421 892631862 /nfs/dbraw/zinc/63/18/62/892631862.db2.gz AIPQMCJJPCSKNM-QMMMGPOBSA-N 0 3 284.316 -1.895 20 0 CAADHN CC[C@@H](CNC(=O)C1(C(=O)NC)CC1)NCC(=O)NC ZINC001481859852 892631954 /nfs/dbraw/zinc/63/19/54/892631954.db2.gz LZQDLRIGKXDVMZ-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)NC ZINC001481849989 892632074 /nfs/dbraw/zinc/63/20/74/892632074.db2.gz ICKSXGSVLBRRLJ-YIZRAAEISA-N 0 3 270.333 -1.662 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@H](O)CNCCF)C1 ZINC001482719520 892670003 /nfs/dbraw/zinc/67/00/03/892670003.db2.gz XFIMMLRGFPCUEJ-NXEZZACHSA-N 0 3 263.313 -1.647 20 0 CAADHN CN1CCC[C@H](NC[C@](C)(NC(=O)C(N)=O)C2CC2)C1=O ZINC001481940058 892633426 /nfs/dbraw/zinc/63/34/26/892633426.db2.gz SRCJNAJHEJKOTE-HZMBPMFUSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001482062957 892633691 /nfs/dbraw/zinc/63/36/91/892633691.db2.gz MTQRUEGKQWWXFI-HLTSFMKQSA-N 0 3 268.317 -1.826 20 0 CAADHN CCNC(=O)CN1CCC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001482070024 892634272 /nfs/dbraw/zinc/63/42/72/892634272.db2.gz JVYCOOKDJHGWRR-UHFFFAOYSA-N 0 3 296.371 -1.078 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)Cn1cncn1)C1CC1 ZINC001481949862 892634379 /nfs/dbraw/zinc/63/43/79/892634379.db2.gz FMCQKQZKSLRZGK-GFCCVEGCSA-N 0 3 280.332 -1.362 20 0 CAADHN CC[C@@H](C(N)=O)N1CCC(CCNC(=O)C(N)=O)CC1 ZINC001482047804 892634399 /nfs/dbraw/zinc/63/43/99/892634399.db2.gz YGZOSFRNVKRJLT-JTQLQIEISA-N 0 3 284.360 -1.046 20 0 CAADHN CN1CCC[C@H](NC[C@@](C)(NC(=O)C(N)=O)C2CC2)C1=O ZINC001481940059 892634785 /nfs/dbraw/zinc/63/47/85/892634785.db2.gz SRCJNAJHEJKOTE-IINYFYTJSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@](CNCC(=O)NC1CC1)(NC(=O)C(N)=O)C1CC1 ZINC001481939971 892634863 /nfs/dbraw/zinc/63/48/63/892634863.db2.gz SIAAJGVANJDDTM-CYBMUJFWSA-N 0 3 282.344 -1.375 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CS(C)(=O)=O ZINC001482258056 892641421 /nfs/dbraw/zinc/64/14/21/892641421.db2.gz DEBHOZNSFXORDR-QMMMGPOBSA-N 0 3 279.362 -1.787 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001482256158 892641545 /nfs/dbraw/zinc/64/15/45/892641545.db2.gz ZYTZGVIXMJOLJM-ZETCQYMHSA-N 0 3 267.289 -1.282 20 0 CAADHN Cn1cnc(C(=O)NCC2(NCC(N)=O)CCCC2)n1 ZINC001482218215 892641627 /nfs/dbraw/zinc/64/16/27/892641627.db2.gz MKFPRTPVWDQBTE-UHFFFAOYSA-N 0 3 280.332 -1.067 20 0 CAADHN Cc1nc(CNC[C@@H](C)N(C)C(=O)CC(N)=O)n[nH]1 ZINC001482265541 892641929 /nfs/dbraw/zinc/64/19/29/892641929.db2.gz LWQJZNBRNBSCQY-SSDOTTSWSA-N 0 3 268.321 -1.075 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CN1CCCC1=O ZINC001482255110 892642294 /nfs/dbraw/zinc/64/22/94/892642294.db2.gz SVGGXGFHZNJFKC-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001482256157 892642489 /nfs/dbraw/zinc/64/24/89/892642489.db2.gz ZYTZGVIXMJOLJM-SSDOTTSWSA-N 0 3 267.289 -1.282 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H]1CN(CC(N)=O)CCO1 ZINC001482207528 892643191 /nfs/dbraw/zinc/64/31/91/892643191.db2.gz VMUXQZNRAUBBQB-LLVKDONJSA-N 0 3 286.376 -1.371 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2COCCO2)CCCC1 ZINC001482211667 892643606 /nfs/dbraw/zinc/64/36/06/892643606.db2.gz BZQPGTDIVPVYFW-JTQLQIEISA-N 0 3 285.344 -1.094 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001482273622 892644895 /nfs/dbraw/zinc/64/48/95/892644895.db2.gz UDUCOCQQRHYBJI-DTWKUNHWSA-N 0 3 271.317 -1.139 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CN1CCNC(=O)C1 ZINC001482318257 892644980 /nfs/dbraw/zinc/64/49/80/892644980.db2.gz UKZMRGWSDZDWCK-VIFPVBQESA-N 0 3 285.348 -2.660 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001482282953 892645025 /nfs/dbraw/zinc/64/50/25/892645025.db2.gz BIYRRLPZCUYKRV-JGVFFNPUSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C1(C(N)=O)CC1 ZINC001482324186 892645401 /nfs/dbraw/zinc/64/54/01/892645401.db2.gz ACJSTHQPTAFCHP-VIFPVBQESA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccc2n[nH]nc2n1 ZINC001482292090 892645428 /nfs/dbraw/zinc/64/54/28/892645428.db2.gz JRPLFJYHZJJHPU-ZETCQYMHSA-N 0 3 291.315 -1.112 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001482299745 892645437 /nfs/dbraw/zinc/64/54/37/892645437.db2.gz SXSLLJJKVFJZQG-BDAKNGLRSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)Cn1ncnn1 ZINC001482283740 892645453 /nfs/dbraw/zinc/64/54/53/892645453.db2.gz PLOOLYTUEIZLOU-VIFPVBQESA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)c1nnn(C)n1 ZINC001482317717 892645483 /nfs/dbraw/zinc/64/54/83/892645483.db2.gz BWHOSKZUQFJYHR-QMMMGPOBSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001482307798 892645630 /nfs/dbraw/zinc/64/56/30/892645630.db2.gz RGYWZKXDGHGOPU-QMMMGPOBSA-N 0 3 297.315 -2.129 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1cnnn1C ZINC001482278087 892645655 /nfs/dbraw/zinc/64/56/55/892645655.db2.gz QRKSXKYAOCEKNI-MRVPVSSYSA-N 0 3 268.321 -1.389 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)c1cn(C)nn1 ZINC001482278842 892645686 /nfs/dbraw/zinc/64/56/86/892645686.db2.gz CFASTINNCJEEGE-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1cnn(C)c1N ZINC001482277602 892645742 /nfs/dbraw/zinc/64/57/42/892645742.db2.gz ZQWJMDXZDMWERY-WCBMZHEXSA-N 0 3 294.359 -1.059 20 0 CAADHN COCCOCC(=O)N(C)[C@@H](C)CN[C@@H]1CCNC1=O ZINC001482266530 892645886 /nfs/dbraw/zinc/64/58/86/892645886.db2.gz NWZWXNNVRAQIGU-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)c1cnn(C)c1N)C(N)=O ZINC001482274836 892646080 /nfs/dbraw/zinc/64/60/80/892646080.db2.gz BYFDWRUYVWUUOJ-JGVFFNPUSA-N 0 3 282.348 -1.074 20 0 CAADHN COc1nn(C)cc1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001482315686 892646185 /nfs/dbraw/zinc/64/61/85/892646185.db2.gz ALUGAXLSAYNAJA-QMMMGPOBSA-N 0 3 283.332 -1.036 20 0 CAADHN CNS(=O)(=O)CCC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001482283406 892646238 /nfs/dbraw/zinc/64/62/38/892646238.db2.gz GBLDRRRRFHOBEI-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001482273621 892646322 /nfs/dbraw/zinc/64/63/22/892646322.db2.gz UDUCOCQQRHYBJI-BDAKNGLRSA-N 0 3 271.317 -1.139 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CN1CCCCC1=O ZINC001482303469 892646543 /nfs/dbraw/zinc/64/65/43/892646543.db2.gz CPMMTWZSYYFPAJ-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cnnn1C ZINC001482278519 892646567 /nfs/dbraw/zinc/64/65/67/892646567.db2.gz WDEPMJWBYLYITO-SSDOTTSWSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001482273623 892646594 /nfs/dbraw/zinc/64/65/94/892646594.db2.gz UDUCOCQQRHYBJI-IUCAKERBSA-N 0 3 271.317 -1.139 20 0 CAADHN CCn1nncc1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001482280777 892646629 /nfs/dbraw/zinc/64/66/29/892646629.db2.gz MKAYWJNPZVCOJM-QMMMGPOBSA-N 0 3 268.321 -1.167 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)Cc1ccn(C)n1 ZINC001482281978 892646642 /nfs/dbraw/zinc/64/66/42/892646642.db2.gz SKZHGBZJLYFXCW-SECBINFHSA-N 0 3 267.333 -1.116 20 0 CAADHN C[C@@H](NC[C@@H](C)N(C)C(=O)c1cnn(C)c1N)C(N)=O ZINC001482274835 892646667 /nfs/dbraw/zinc/64/66/67/892646667.db2.gz BYFDWRUYVWUUOJ-HTQZYQBOSA-N 0 3 282.348 -1.074 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)c1cnn(C)c1N ZINC001482274838 892646702 /nfs/dbraw/zinc/64/67/02/892646702.db2.gz BYFDWRUYVWUUOJ-SFYZADRCSA-N 0 3 282.348 -1.074 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)CC(N)=O ZINC001482267181 892646720 /nfs/dbraw/zinc/64/67/20/892646720.db2.gz WSNOIULCIQABMO-SECBINFHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cnnn1C ZINC001482278520 892646776 /nfs/dbraw/zinc/64/67/76/892646776.db2.gz WDEPMJWBYLYITO-ZETCQYMHSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1cnn(C)c1N ZINC001482277598 892646872 /nfs/dbraw/zinc/64/68/72/892646872.db2.gz ZQWJMDXZDMWERY-SCZZXKLOSA-N 0 3 294.359 -1.059 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1cnn(C)c1N ZINC001482277603 892646959 /nfs/dbraw/zinc/64/69/59/892646959.db2.gz ZQWJMDXZDMWERY-WPRPVWTQSA-N 0 3 294.359 -1.059 20 0 CAADHN CCCS(=O)(=O)CC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001482365813 892648385 /nfs/dbraw/zinc/64/83/85/892648385.db2.gz LVOXVRYMXKQSOP-SECBINFHSA-N 0 3 293.389 -1.267 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@]1(C)CCNC1=O ZINC001482329519 892648468 /nfs/dbraw/zinc/64/84/68/892648468.db2.gz GFWYORWHJSRMEE-UFBFGSQYSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn[n-]n2)C[C@@H]1C ZINC001482421991 892648486 /nfs/dbraw/zinc/64/84/86/892648486.db2.gz CRMVCTFVBKMZSO-DTWKUNHWSA-N 0 3 280.332 -1.009 20 0 CAADHN COc1c(C(=O)N(C)[C@@H](C)CNCC(N)=O)cnn1C ZINC001482358202 892648614 /nfs/dbraw/zinc/64/86/14/892648614.db2.gz IKAUPBKLYKTWQK-QMMMGPOBSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)Cn1cncn1 ZINC001482360119 892648922 /nfs/dbraw/zinc/64/89/22/892648922.db2.gz DYFSWMAOAIJEPD-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCn1cnnn1 ZINC001482343745 892649059 /nfs/dbraw/zinc/64/90/59/892649059.db2.gz JJYSCRSCXLHLQF-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001482329578 892649195 /nfs/dbraw/zinc/64/91/95/892649195.db2.gz CODZIPRNDKUCFL-BBBLOLIVSA-N 0 3 284.360 -1.320 20 0 CAADHN CC(C)C[C@H](CN[C@H](C)C(N)=O)NC(=O)Cn1cnnn1 ZINC001482376543 892649422 /nfs/dbraw/zinc/64/94/22/892649422.db2.gz PFBAJNKCIBHHSQ-NXEZZACHSA-N 0 3 297.363 -1.333 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001482367760 892649913 /nfs/dbraw/zinc/64/99/13/892649913.db2.gz KCSDYTMZJBRCBW-UWVGGRQHSA-N 0 3 294.359 -1.238 20 0 CAADHN CC(C)[C@@H](CNC(=O)CC(N)=O)NCc1cnnn1C ZINC001482517935 892650102 /nfs/dbraw/zinc/65/01/02/892650102.db2.gz MJKJYOWMOYRMMT-SNVBAGLBSA-N 0 3 282.348 -1.079 20 0 CAADHN COCCN(C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001482600528 892651502 /nfs/dbraw/zinc/65/15/02/892651502.db2.gz KBRDTWSPSKIDMP-UHFFFAOYSA-N 0 3 295.405 -1.086 20 0 CAADHN COCCN(C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001482617670 892652060 /nfs/dbraw/zinc/65/20/60/892652060.db2.gz OCJALPZDSUJIMP-UHFFFAOYSA-N 0 3 286.376 -1.545 20 0 CAADHN CC(C)[C@H](CNC(=O)C(N)=O)N[C@@H]1CCCN(C)C1=O ZINC001482550342 892652685 /nfs/dbraw/zinc/65/26/85/892652685.db2.gz FCVCLFTZGQZXKG-ZJUUUORDSA-N 0 3 284.360 -1.177 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](NCC(N)=O)C(C)C ZINC001482570032 892653535 /nfs/dbraw/zinc/65/35/35/892653535.db2.gz AYPFWOFEHNKKPG-SECBINFHSA-N 0 3 293.389 -1.363 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(N)=O)N[C@@H]1CCCN(C)C1=O ZINC001482550338 892654405 /nfs/dbraw/zinc/65/44/05/892654405.db2.gz FCVCLFTZGQZXKG-NXEZZACHSA-N 0 3 284.360 -1.177 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CNC(=O)CCOC)C1=O ZINC001482700784 892655347 /nfs/dbraw/zinc/65/53/47/892655347.db2.gz BBNOSISLACVMNX-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)C(F)F ZINC001482700659 892655717 /nfs/dbraw/zinc/65/57/17/892655717.db2.gz AGBMRFJTGSDNHP-SSDOTTSWSA-N 0 3 267.276 -1.156 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001482700268 892656135 /nfs/dbraw/zinc/65/61/35/892656135.db2.gz CREAGTIGDSQRAO-BDAKNGLRSA-N 0 3 272.305 -2.922 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@@H]1CCN(C(C)C)C1=O ZINC001482698938 892656478 /nfs/dbraw/zinc/65/64/78/892656478.db2.gz OUBDFOMPRYADJK-GHMZBOCLSA-N 0 3 287.360 -1.291 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCC(=O)NCC(C)(C)C ZINC001482699040 892656515 /nfs/dbraw/zinc/65/65/15/892656515.db2.gz PHTXKBQFVRZTND-JTQLQIEISA-N 0 3 289.376 -1.138 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)N1CCOC[C@H]1C1CC1 ZINC001482701107 892656794 /nfs/dbraw/zinc/65/67/94/892656794.db2.gz DAXLOCGYKBNJER-STQMWFEESA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccccn1)C(N)=O ZINC001482700317 892657154 /nfs/dbraw/zinc/65/71/54/892657154.db2.gz DRLUDYNYTPTQOR-RKDXNWHRSA-N 0 3 266.301 -1.364 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)c1nnn(C)n1 ZINC001482620615 892657254 /nfs/dbraw/zinc/65/72/54/892657254.db2.gz RQNRIGDOFPCTEM-MRVPVSSYSA-N 0 3 256.310 -1.405 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001482700269 892657540 /nfs/dbraw/zinc/65/75/40/892657540.db2.gz CREAGTIGDSQRAO-DTWKUNHWSA-N 0 3 272.305 -2.922 20 0 CAADHN COCC(=O)NC[C@H](O)CNCC(=O)NCC(C)(C)C ZINC001482699041 892657821 /nfs/dbraw/zinc/65/78/21/892657821.db2.gz PHTXKBQFVRZTND-SNVBAGLBSA-N 0 3 289.376 -1.138 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)NC(=O)NCC(C)C ZINC001482702886 892659377 /nfs/dbraw/zinc/65/93/77/892659377.db2.gz OQCYCSQNQYLTRA-SNVBAGLBSA-N 0 3 288.348 -1.445 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCCO1)N1CCC1 ZINC001482705378 892659399 /nfs/dbraw/zinc/65/93/99/892659399.db2.gz LUHVQZDIQVSXFY-QWRGUYRKSA-N 0 3 285.344 -1.536 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1cccs1 ZINC001482702260 892659551 /nfs/dbraw/zinc/65/95/51/892659551.db2.gz KMAIFAJKYDFFCG-MRVPVSSYSA-N 0 3 271.342 -1.157 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)C2=COCCO2)cn1 ZINC001482703461 892659632 /nfs/dbraw/zinc/65/96/32/892659632.db2.gz BLBZGQJCVUFZID-NSHDSACASA-N 0 3 296.327 -1.125 20 0 CAADHN O=C(CC1CC1)NC[C@H](O)CNCC(=O)N1CCOCC1 ZINC001482701452 892659745 /nfs/dbraw/zinc/65/97/45/892659745.db2.gz GAKATBGPWUZMGC-GFCCVEGCSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCCO1)N1CCC1 ZINC001482705379 892659764 /nfs/dbraw/zinc/65/97/64/892659764.db2.gz LUHVQZDIQVSXFY-WDEREUQCSA-N 0 3 285.344 -1.536 20 0 CAADHN O=C(CC1CC1)NC[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001482701454 892659879 /nfs/dbraw/zinc/65/98/79/892659879.db2.gz GAKATBGPWUZMGC-LBPRGKRZSA-N 0 3 299.371 -1.288 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C ZINC001482703201 892659944 /nfs/dbraw/zinc/65/99/44/892659944.db2.gz TXJVQZKIZAKCNO-PSASIEDQSA-N 0 3 288.348 -2.334 20 0 CAADHN COCCC(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001482703529 892659982 /nfs/dbraw/zinc/65/99/82/892659982.db2.gz UKXJHJADJLKGDG-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CS(=O)(=O)CCNC[C@@H](O)CNC(=O)C1CC1 ZINC001482703407 892660046 /nfs/dbraw/zinc/66/00/46/892660046.db2.gz UBXRDCDOGWPTOF-SECBINFHSA-N 0 3 264.347 -1.492 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)C1CCOCC1)C(N)=O ZINC001482701395 892660095 /nfs/dbraw/zinc/66/00/95/892660095.db2.gz OUSQDWWIQJERHD-GHMZBOCLSA-N 0 3 287.360 -1.256 20 0 CAADHN COCCC(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C ZINC001482703527 892660234 /nfs/dbraw/zinc/66/02/34/892660234.db2.gz UKXJHJADJLKGDG-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)NC(=O)NCC(C)C ZINC001482702885 892660335 /nfs/dbraw/zinc/66/03/35/892660335.db2.gz OQCYCSQNQYLTRA-JTQLQIEISA-N 0 3 288.348 -1.445 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001482703206 892660462 /nfs/dbraw/zinc/66/04/62/892660462.db2.gz TXJVQZKIZAKCNO-WCBMZHEXSA-N 0 3 288.348 -2.334 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cc[n+]([O-])cc1)C(N)=O ZINC001482705363 892660546 /nfs/dbraw/zinc/66/05/46/892660546.db2.gz LMQYFWDXUDXKMS-WDEREUQCSA-N 0 3 296.327 -1.736 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cc[n+]([O-])cc1)C(N)=O ZINC001482705362 892660580 /nfs/dbraw/zinc/66/05/80/892660580.db2.gz LMQYFWDXUDXKMS-QWRGUYRKSA-N 0 3 296.327 -1.736 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)no1 ZINC001482704951 892660671 /nfs/dbraw/zinc/66/06/71/892660671.db2.gz HEBFHWGESDYNKH-HTQZYQBOSA-N 0 3 270.289 -1.463 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001482703208 892660840 /nfs/dbraw/zinc/66/08/40/892660840.db2.gz TXJVQZKIZAKCNO-WPRPVWTQSA-N 0 3 288.348 -2.334 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1)C(N)=O ZINC001482705361 892661071 /nfs/dbraw/zinc/66/10/71/892661071.db2.gz LMQYFWDXUDXKMS-MNOVXSKESA-N 0 3 296.327 -1.736 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)C1CCOCC1)C(N)=O ZINC001482701398 892661084 /nfs/dbraw/zinc/66/10/84/892661084.db2.gz OUSQDWWIQJERHD-WDEREUQCSA-N 0 3 287.360 -1.256 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001482706800 892662570 /nfs/dbraw/zinc/66/25/70/892662570.db2.gz ZLSIVEVBPQGJKL-WPRPVWTQSA-N 0 3 288.348 -2.334 20 0 CAADHN Cc1occc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001482706215 892662954 /nfs/dbraw/zinc/66/29/54/892662954.db2.gz UJNWEHJDBUAFNO-QMMMGPOBSA-N 0 3 255.274 -1.246 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cncs1 ZINC001482710748 892662993 /nfs/dbraw/zinc/66/29/93/892662993.db2.gz DYOFFDWJSOGTNG-MRVPVSSYSA-N 0 3 286.357 -1.041 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cn1cccn1 ZINC001482707095 892663052 /nfs/dbraw/zinc/66/30/52/892663052.db2.gz LJUFLQAAUMEYIZ-UWVGGRQHSA-N 0 3 283.332 -1.916 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(=O)NC)[nH]n1 ZINC001482707482 892663117 /nfs/dbraw/zinc/66/31/17/892663117.db2.gz BHIBBNOPDHAKLR-PSASIEDQSA-N 0 3 297.359 -1.213 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC=CCC1 ZINC001482708460 892663347 /nfs/dbraw/zinc/66/33/47/892663347.db2.gz TUYAOSKIQPOXKK-VHSXEESVSA-N 0 3 255.318 -1.105 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cc(CC)n[nH]1 ZINC001482709079 892663532 /nfs/dbraw/zinc/66/35/32/892663532.db2.gz MGXUENVZJQMPHB-JTQLQIEISA-N 0 3 297.359 -1.212 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)c1ccoc1 ZINC001482706284 892663577 /nfs/dbraw/zinc/66/35/77/892663577.db2.gz BAXOJYKAVMWJDH-SECBINFHSA-N 0 3 298.299 -1.585 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccc[nH]1 ZINC001482708835 892663647 /nfs/dbraw/zinc/66/36/47/892663647.db2.gz VZEUTFPOPZGGOJ-VIFPVBQESA-N 0 3 268.317 -1.217 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(N)=O)on1 ZINC001482709376 892663669 /nfs/dbraw/zinc/66/36/69/892663669.db2.gz ZGSATAIOVLIBDT-SSDOTTSWSA-N 0 3 256.262 -1.851 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccn[nH]1)C(=O)N(C)C ZINC001482709018 892664024 /nfs/dbraw/zinc/66/40/24/892664024.db2.gz LQGOBRJAHVPMRL-IUCAKERBSA-N 0 3 283.332 -1.433 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001482706798 892664084 /nfs/dbraw/zinc/66/40/84/892664084.db2.gz ZLSIVEVBPQGJKL-SCZZXKLOSA-N 0 3 288.348 -2.334 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnn(C)c1C ZINC001482709331 892664145 /nfs/dbraw/zinc/66/41/45/892664145.db2.gz QFBLBLNMXGYMSZ-SCZZXKLOSA-N 0 3 297.359 -1.457 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccn[nH]1)C(=O)N(C)C ZINC001482709016 892664237 /nfs/dbraw/zinc/66/42/37/892664237.db2.gz LQGOBRJAHVPMRL-DTWKUNHWSA-N 0 3 283.332 -1.433 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnn(C)c1C ZINC001482709333 892664432 /nfs/dbraw/zinc/66/44/32/892664432.db2.gz QFBLBLNMXGYMSZ-WCBMZHEXSA-N 0 3 297.359 -1.457 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC)[nH]n1 ZINC001482707485 892664538 /nfs/dbraw/zinc/66/45/38/892664538.db2.gz BHIBBNOPDHAKLR-WPRPVWTQSA-N 0 3 297.359 -1.213 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccnc(F)c1 ZINC001482711803 892665912 /nfs/dbraw/zinc/66/59/12/892665912.db2.gz JCPLMNRKEHZNHB-QMMMGPOBSA-N 0 3 270.264 -1.614 20 0 CAADHN CN1CCC[C@@H](NC[C@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001482711655 892666004 /nfs/dbraw/zinc/66/60/04/892666004.db2.gz PAIDTYZWCYKXTB-WDEREUQCSA-N 0 3 295.343 -1.289 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cocn1 ZINC001482712596 892666197 /nfs/dbraw/zinc/66/61/97/892666197.db2.gz FOZCLZDWINYYKJ-HTQZYQBOSA-N 0 3 270.289 -1.511 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1=COCCC1)C(N)=O ZINC001482712695 892666463 /nfs/dbraw/zinc/66/64/63/892666463.db2.gz GSTZWJYTBXGVPG-PSASIEDQSA-N 0 3 271.317 -1.379 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1=COCCC1)C(N)=O ZINC001482712709 892666573 /nfs/dbraw/zinc/66/65/73/892666573.db2.gz GSTZWJYTBXGVPG-WPRPVWTQSA-N 0 3 271.317 -1.379 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2ccon2)C1=O ZINC001482710794 892666684 /nfs/dbraw/zinc/66/66/84/892666684.db2.gz GMJCZDZUIFNMME-WCBMZHEXSA-N 0 3 282.300 -1.414 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cocn1)C(N)=O ZINC001482712807 892666878 /nfs/dbraw/zinc/66/68/78/892666878.db2.gz HABUYOFUHSWNBI-YUMQZZPRSA-N 0 3 270.289 -1.381 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1cnns1 ZINC001482711398 892666898 /nfs/dbraw/zinc/66/68/98/892666898.db2.gz MWYKROICJWWIGK-HTQZYQBOSA-N 0 3 299.356 -1.503 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)COC ZINC001482712167 892666916 /nfs/dbraw/zinc/66/69/16/892666916.db2.gz ANSJHXBFCUYZJV-RKDXNWHRSA-N 0 3 261.322 -1.918 20 0 CAADHN CC[C@@H](OC)C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001482713217 892667046 /nfs/dbraw/zinc/66/70/46/892667046.db2.gz KKQYONZGATUBNH-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cncs1 ZINC001482711931 892667094 /nfs/dbraw/zinc/66/70/94/892667094.db2.gz SBARYNRLRUWWIV-YUMQZZPRSA-N 0 3 284.341 -1.288 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cscn1)C(N)=O ZINC001482713408 892667142 /nfs/dbraw/zinc/66/71/42/892667142.db2.gz MOCKZJNXZNMOSH-RNFRBKRXSA-N 0 3 272.330 -1.303 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cncs1 ZINC001482710764 892667191 /nfs/dbraw/zinc/66/71/91/892667191.db2.gz FNOXVKFMDZWAAU-LURJTMIESA-N 0 3 258.303 -1.691 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CC(F)(F)F)C(N)=O ZINC001482711601 892667282 /nfs/dbraw/zinc/66/72/82/892667282.db2.gz HMVPDSQBHGGGAR-RITPCOANSA-N 0 3 271.239 -1.121 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccnn1C ZINC001482714173 892667497 /nfs/dbraw/zinc/66/74/97/892667497.db2.gz SWYJBYMLJVWARF-MRVPVSSYSA-N 0 3 269.305 -2.154 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1cnns1 ZINC001482711400 892667562 /nfs/dbraw/zinc/66/75/62/892667562.db2.gz MWYKROICJWWIGK-JGVFFNPUSA-N 0 3 299.356 -1.503 20 0 CAADHN O=C(COC1CCCC1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001482712350 892667958 /nfs/dbraw/zinc/66/79/58/892667958.db2.gz VSVZVCQTAMKVOE-PWSUYJOCSA-N 0 3 299.371 -1.099 20 0 CAADHN CC[C@H](OC)C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001482713218 892668027 /nfs/dbraw/zinc/66/80/27/892668027.db2.gz KKQYONZGATUBNH-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CC[C@H](OC)C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001482713219 892668350 /nfs/dbraw/zinc/66/83/50/892668350.db2.gz KKQYONZGATUBNH-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1ncncc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001482711936 892668408 /nfs/dbraw/zinc/66/84/08/892668408.db2.gz SCTVNDKXOZFFEL-IUCAKERBSA-N 0 3 281.316 -1.661 20 0 CAADHN Cc1ccncc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001482713803 892668456 /nfs/dbraw/zinc/66/84/56/892668456.db2.gz AQRXYBGJWRDRPW-SECBINFHSA-N 0 3 266.301 -1.444 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001482713133 892668514 /nfs/dbraw/zinc/66/85/14/892668514.db2.gz OVRZUCNWWREBAS-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCC(=O)NC1=O)c1cn[nH]c1 ZINC001482711656 892668606 /nfs/dbraw/zinc/66/86/06/892668606.db2.gz PFSBTSDHCCVNSK-BDAKNGLRSA-N 0 3 295.299 -2.105 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccncc1F ZINC001482716152 892669744 /nfs/dbraw/zinc/66/97/44/892669744.db2.gz SQLHYTKLBJKPRX-ZETCQYMHSA-N 0 3 270.264 -1.614 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001482715348 892669753 /nfs/dbraw/zinc/66/97/53/892669753.db2.gz GALRHFOBOVOIMK-BDAKNGLRSA-N 0 3 286.332 -2.532 20 0 CAADHN C/C=C(/C)C(=O)NC[C@H](O)CNCC(=O)N1CCOCC1 ZINC001482718800 892669781 /nfs/dbraw/zinc/66/97/81/892669781.db2.gz LGWGWZNJNUAMFF-CTPBAPBTSA-N 0 3 299.371 -1.122 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccc(F)nc1 ZINC001482716984 892669843 /nfs/dbraw/zinc/66/98/43/892669843.db2.gz VDDMLDOXRZQCEE-VHSXEESVSA-N 0 3 296.302 -1.211 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)Cc2cc[nH]n2)cn1 ZINC001482715201 892669944 /nfs/dbraw/zinc/66/99/44/892669944.db2.gz IRLMYBWMIKQEGN-LBPRGKRZSA-N 0 3 292.343 -1.047 20 0 CAADHN Cc1cccnc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001482719707 892670352 /nfs/dbraw/zinc/67/03/52/892670352.db2.gz VHZFUQKWPOGPCJ-ZJUUUORDSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1cncc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)c1 ZINC001482718205 892670477 /nfs/dbraw/zinc/67/04/77/892670477.db2.gz KHFQDUSCVHEEQR-VXGBXAGGSA-N 0 3 292.339 -1.041 20 0 CAADHN C/C=C(\C)C(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001482718801 892670520 /nfs/dbraw/zinc/67/05/20/892670520.db2.gz LGWGWZNJNUAMFF-JPOQUURFSA-N 0 3 299.371 -1.122 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001482714821 892670723 /nfs/dbraw/zinc/67/07/23/892670723.db2.gz WNBHTAHGNCZZBV-IUCAKERBSA-N 0 3 282.300 -1.448 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)Cc2cc[nH]n2)cn1 ZINC001482715200 892670758 /nfs/dbraw/zinc/67/07/58/892670758.db2.gz IRLMYBWMIKQEGN-GFCCVEGCSA-N 0 3 292.343 -1.047 20 0 CAADHN Cc1cncc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)c1 ZINC001482718204 892671549 /nfs/dbraw/zinc/67/15/49/892671549.db2.gz KHFQDUSCVHEEQR-RYUDHWBXSA-N 0 3 292.339 -1.041 20 0 CAADHN C/C=C(\C)C(=O)NC[C@H](O)CNCC(=O)N1CCOCC1 ZINC001482718803 892671613 /nfs/dbraw/zinc/67/16/13/892671613.db2.gz LGWGWZNJNUAMFF-NDZKXSSTSA-N 0 3 299.371 -1.122 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccc(F)nc1 ZINC001482716982 892671764 /nfs/dbraw/zinc/67/17/64/892671764.db2.gz VDDMLDOXRZQCEE-NXEZZACHSA-N 0 3 296.302 -1.211 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1ccon1)C(N)=O ZINC001482716002 892671846 /nfs/dbraw/zinc/67/18/46/892671846.db2.gz QQCKBNHCUSXVFP-IONNQARKSA-N 0 3 270.289 -1.842 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001482715349 892671862 /nfs/dbraw/zinc/67/18/62/892671862.db2.gz GALRHFOBOVOIMK-DTWKUNHWSA-N 0 3 286.332 -2.532 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)[C@H](O)C(C)C)n[nH]1 ZINC001482724397 892672908 /nfs/dbraw/zinc/67/29/08/892672908.db2.gz KJHOKTKMZWHSJD-MWLCHTKSSA-N 0 3 285.348 -1.303 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CC(C)(C)O ZINC001482725392 892673011 /nfs/dbraw/zinc/67/30/11/892673011.db2.gz WALFQVWGJLXJIW-SECBINFHSA-N 0 3 275.349 -1.698 20 0 CAADHN CCc1nc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)co1 ZINC001482720336 892673025 /nfs/dbraw/zinc/67/30/25/892673025.db2.gz AECNAJKQVPPWPG-SFYZADRCSA-N 0 3 284.316 -1.209 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC001482720582 892673075 /nfs/dbraw/zinc/67/30/75/892673075.db2.gz ARGGQZDHQBZMSG-IUCAKERBSA-N 0 3 259.306 -1.893 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCCO1 ZINC001482720584 892673163 /nfs/dbraw/zinc/67/31/63/892673163.db2.gz ARGGQZDHQBZMSG-RKDXNWHRSA-N 0 3 259.306 -1.893 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1CC(F)(F)C1)C(N)=O ZINC001482720113 892673672 /nfs/dbraw/zinc/67/36/72/892673672.db2.gz YIUNNTCGAPPKBZ-HTRCEHHLSA-N 0 3 279.287 -1.028 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C1=CCCC1 ZINC001482722145 892673757 /nfs/dbraw/zinc/67/37/57/892673757.db2.gz OAGBSJNFGSRBED-SECBINFHSA-N 0 3 284.316 -1.642 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001482723510 892673945 /nfs/dbraw/zinc/67/39/45/892673945.db2.gz XCAYCTGVUDLMIH-VIFPVBQESA-N 0 3 283.332 -1.811 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1CC(F)(F)C1)C(N)=O ZINC001482720123 892674153 /nfs/dbraw/zinc/67/41/53/892674153.db2.gz YIUNNTCGAPPKBZ-POYBYMJQSA-N 0 3 279.287 -1.028 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001482722375 892674687 /nfs/dbraw/zinc/67/46/87/892674687.db2.gz RQZUQHSIARRNHX-LLVKDONJSA-N 0 3 285.344 -1.512 20 0 CAADHN CCc1nc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)co1 ZINC001482720753 892674828 /nfs/dbraw/zinc/67/48/28/892674828.db2.gz FDVLQWOZWLMXRR-IUCAKERBSA-N 0 3 296.327 -1.194 20 0 CAADHN CC(C)(C)OCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001482721249 892674925 /nfs/dbraw/zinc/67/49/25/892674925.db2.gz DCNZIUFOWUCLMT-VHSXEESVSA-N 0 3 287.360 -1.243 20 0 CAADHN CCc1nc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)co1 ZINC001482720335 892675093 /nfs/dbraw/zinc/67/50/93/892675093.db2.gz AECNAJKQVPPWPG-JGVFFNPUSA-N 0 3 284.316 -1.209 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001482729553 892675795 /nfs/dbraw/zinc/67/57/95/892675795.db2.gz OJFVQIUGGYNJFP-RKDXNWHRSA-N 0 3 297.319 -2.982 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)nn1 ZINC001482727252 892676194 /nfs/dbraw/zinc/67/61/94/892676194.db2.gz NDQRVBKOZMJZCH-SECBINFHSA-N 0 3 296.331 -2.272 20 0 CAADHN O=C(CO[C@H]1CCOC1)NC[C@H](O)CNCCF ZINC001482727570 892676639 /nfs/dbraw/zinc/67/66/39/892676639.db2.gz BNNUDSAAVLGGQP-ZJUUUORDSA-N 0 3 264.297 -1.172 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1nn(C)cc1C)C(N)=O ZINC001482729485 892676693 /nfs/dbraw/zinc/67/66/93/892676693.db2.gz NVBUPKMTEXFWFH-UWVGGRQHSA-N 0 3 297.359 -1.327 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1nn(C)cc1C ZINC001482729650 892676844 /nfs/dbraw/zinc/67/68/44/892676844.db2.gz UJXUXGLKUXOVIL-JTQLQIEISA-N 0 3 297.359 -1.455 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ncn(C)n1)C(N)=O ZINC001482729142 892677153 /nfs/dbraw/zinc/67/71/53/892677153.db2.gz XMKCVWPBFGWNNU-NKWVEPMBSA-N 0 3 270.293 -2.631 20 0 CAADHN Cc1cnccc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001482727959 892677206 /nfs/dbraw/zinc/67/72/06/892677206.db2.gz GMKUHMNKGGGQFP-SECBINFHSA-N 0 3 266.301 -1.444 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cn(C)nn2)n[nH]1 ZINC001482727321 892677255 /nfs/dbraw/zinc/67/72/55/892677255.db2.gz ORLCIBLGFYJZPH-QMMMGPOBSA-N 0 3 294.319 -1.878 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001482730384 892677358 /nfs/dbraw/zinc/67/73/58/892677358.db2.gz XTGGVDOLBDBNSN-GHMZBOCLSA-N 0 3 297.359 -1.707 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001482730288 892677712 /nfs/dbraw/zinc/67/77/12/892677712.db2.gz WIGOEZFGFDQLBG-HTQZYQBOSA-N 0 3 285.308 -3.126 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001482735250 892679186 /nfs/dbraw/zinc/67/91/86/892679186.db2.gz NTSWBZPHENGNAK-QMMMGPOBSA-N 0 3 289.336 -2.930 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1cc(C2CC2)no1 ZINC001482735140 892679234 /nfs/dbraw/zinc/67/92/34/892679234.db2.gz JZGBHENNFKTVNT-VIFPVBQESA-N 0 3 296.327 -1.354 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001482730386 892679637 /nfs/dbraw/zinc/67/96/37/892679637.db2.gz XTGGVDOLBDBNSN-QWRGUYRKSA-N 0 3 297.359 -1.707 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C2CCC2)c1 ZINC001482730430 892680160 /nfs/dbraw/zinc/68/01/60/892680160.db2.gz YWGMJAWJWKDTHG-LLVKDONJSA-N 0 3 295.343 -1.226 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001482736866 892680295 /nfs/dbraw/zinc/68/02/95/892680295.db2.gz APHKLEZRZFNQFI-BDAKNGLRSA-N 0 3 286.332 -2.675 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCn1ccccc1=O ZINC001482736706 892680532 /nfs/dbraw/zinc/68/05/32/892680532.db2.gz YYXCGYUUAYEGBV-JTQLQIEISA-N 0 3 296.327 -2.210 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnn2ccncc12 ZINC001482736948 892680678 /nfs/dbraw/zinc/68/06/78/892680678.db2.gz BVCKPAOTNCEELM-MRVPVSSYSA-N 0 3 292.299 -2.105 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnn(C2CCC2)c1 ZINC001482730431 892680809 /nfs/dbraw/zinc/68/08/09/892680809.db2.gz YWGMJAWJWKDTHG-NSHDSACASA-N 0 3 295.343 -1.226 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCCF ZINC001482733170 892680840 /nfs/dbraw/zinc/68/08/40/892680840.db2.gz VETLUFWZBHNZAR-DTWKUNHWSA-N 0 3 263.313 -1.063 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnn2ccncc12 ZINC001482736949 892680901 /nfs/dbraw/zinc/68/09/01/892680901.db2.gz BVCKPAOTNCEELM-QMMMGPOBSA-N 0 3 292.299 -2.105 20 0 CAADHN O=C(CN1CCCS1(=O)=O)NC[C@@H](O)CNCCF ZINC001482734271 892681083 /nfs/dbraw/zinc/68/10/83/892681083.db2.gz JSBXHPHUUDGQTL-VIFPVBQESA-N 0 3 297.352 -1.942 20 0 CAADHN CN(CC(=O)NC[C@H](O)CNCC(N)=O)C(=O)C1CC1 ZINC001482733700 892681141 /nfs/dbraw/zinc/68/11/41/892681141.db2.gz HHKNEXALDYGSOZ-SECBINFHSA-N 0 3 286.332 -2.593 20 0 CAADHN C[C@H](C(=O)NC[C@H](O)CNCC(N)=O)S(C)(=O)=O ZINC001482742656 892682653 /nfs/dbraw/zinc/68/26/53/892682653.db2.gz SGNVUOOKGLVCDE-RNFRBKRXSA-N 0 3 281.334 -3.029 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)[C@H]1CCCNC1=O ZINC001482740421 892682865 /nfs/dbraw/zinc/68/28/65/892682865.db2.gz WUQJBBLBIYECMR-IUCAKERBSA-N 0 3 261.297 -1.451 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1(C2CC2)CC1 ZINC001482739351 892683007 /nfs/dbraw/zinc/68/30/07/892683007.db2.gz HQCVFJUBDBXWIQ-SNVBAGLBSA-N 0 3 269.345 -1.011 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNCc1nnn(C)n1)N(C)C ZINC001482742976 892683073 /nfs/dbraw/zinc/68/30/73/892683073.db2.gz XRQXHVAUDDEZBH-NXEZZACHSA-N 0 3 299.379 -1.883 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccsn1 ZINC001482741488 892683107 /nfs/dbraw/zinc/68/31/07/892683107.db2.gz JRWPLIBZMHJVDL-SSDOTTSWSA-N 0 3 272.330 -1.431 20 0 CAADHN C[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)S(C)(=O)=O ZINC001482742657 892683149 /nfs/dbraw/zinc/68/31/49/892683149.db2.gz SGNVUOOKGLVCDE-RQJHMYQMSA-N 0 3 281.334 -3.029 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1(F)CCCC1 ZINC001482744273 892683267 /nfs/dbraw/zinc/68/32/67/892683267.db2.gz RZAYBVZXSKNYOZ-QMMMGPOBSA-N 0 3 261.297 -1.179 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001482740729 892683347 /nfs/dbraw/zinc/68/33/47/892683347.db2.gz CLQUMSGZAUMNTD-SECBINFHSA-N 0 3 291.311 -1.272 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001482738848 892683547 /nfs/dbraw/zinc/68/35/47/892683547.db2.gz CRQWBFLACXCVNP-MRVPVSSYSA-N 0 3 283.288 -2.392 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001482738849 892683671 /nfs/dbraw/zinc/68/36/71/892683671.db2.gz CRQWBFLACXCVNP-QMMMGPOBSA-N 0 3 283.288 -2.392 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnc2[nH]ccc2c1 ZINC001482740104 892683792 /nfs/dbraw/zinc/68/37/92/892683792.db2.gz PVPLVHXRXHJBLW-JTQLQIEISA-N 0 3 291.311 -1.320 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cn1cncc1C ZINC001482749974 892685015 /nfs/dbraw/zinc/68/50/15/892685015.db2.gz IDGVYDXGFCYBDU-JTQLQIEISA-N 0 3 283.332 -1.996 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001482750206 892685096 /nfs/dbraw/zinc/68/50/96/892685096.db2.gz MYQGCLKYJPUWNT-NXEZZACHSA-N 0 3 285.344 -1.632 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001482746091 892685209 /nfs/dbraw/zinc/68/52/09/892685209.db2.gz YWNLULJGGCIIDL-DTWKUNHWSA-N 0 3 286.332 -2.675 20 0 CAADHN Cn1cncc1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001482748012 892685687 /nfs/dbraw/zinc/68/56/87/892685687.db2.gz NMVCGVUKHXQBJX-VHSXEESVSA-N 0 3 295.343 -1.621 20 0 CAADHN Cn1cncc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001482746580 892685743 /nfs/dbraw/zinc/68/57/43/892685743.db2.gz FNAMTUAHQPRNKV-DTWKUNHWSA-N 0 3 281.316 -2.011 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001482750683 892685840 /nfs/dbraw/zinc/68/58/40/892685840.db2.gz XYLUYAQGFJVPGQ-UWVGGRQHSA-N 0 3 283.332 -1.868 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)nc1C ZINC001482751370 892685951 /nfs/dbraw/zinc/68/59/51/892685951.db2.gz LRGZHYVUUMLKCQ-JTQLQIEISA-N 0 3 280.328 -1.136 20 0 CAADHN Cn1cncc1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001482748013 892686028 /nfs/dbraw/zinc/68/60/28/892686028.db2.gz NMVCGVUKHXQBJX-ZJUUUORDSA-N 0 3 295.343 -1.621 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001482751590 892686132 /nfs/dbraw/zinc/68/61/32/892686132.db2.gz PSNNXGYJCFTQDB-IONNQARKSA-N 0 3 286.307 -1.031 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001482746090 892686280 /nfs/dbraw/zinc/68/62/80/892686280.db2.gz YWNLULJGGCIIDL-BDAKNGLRSA-N 0 3 286.332 -2.675 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001482750208 892686322 /nfs/dbraw/zinc/68/63/22/892686322.db2.gz MYQGCLKYJPUWNT-VHSXEESVSA-N 0 3 285.344 -1.632 20 0 CAADHN Cn1cncc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001482746573 892686354 /nfs/dbraw/zinc/68/63/54/892686354.db2.gz FNAMTUAHQPRNKV-BDAKNGLRSA-N 0 3 281.316 -2.011 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cn(C)ccc1=O)C(N)=O ZINC001482749270 892686568 /nfs/dbraw/zinc/68/65/68/892686568.db2.gz WCENJVNRAOBGIR-IUCAKERBSA-N 0 3 296.327 -2.061 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001482751588 892686637 /nfs/dbraw/zinc/68/66/37/892686637.db2.gz PSNNXGYJCFTQDB-APPZFPTMSA-N 0 3 286.307 -1.031 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001482751589 892686655 /nfs/dbraw/zinc/68/66/55/892686655.db2.gz PSNNXGYJCFTQDB-CBAPKCEASA-N 0 3 286.307 -1.031 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001482746093 892687035 /nfs/dbraw/zinc/68/70/35/892687035.db2.gz YWNLULJGGCIIDL-RKDXNWHRSA-N 0 3 286.332 -2.675 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(COC)o1 ZINC001482749612 892687048 /nfs/dbraw/zinc/68/70/48/892687048.db2.gz ZSEXSIIQGXVKIQ-SECBINFHSA-N 0 3 299.327 -1.148 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001482752002 892687126 /nfs/dbraw/zinc/68/71/26/892687126.db2.gz WLDTYGYSGMZJDY-SSDOTTSWSA-N 0 3 258.253 -1.681 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001482757336 892688360 /nfs/dbraw/zinc/68/83/60/892688360.db2.gz HYQNXQHOTGEETC-SSDOTTSWSA-N 0 3 285.304 -2.448 20 0 CAADHN CC(C)c1cc(C(=O)NC[C@H](O)CNCC(N)=O)no1 ZINC001482756503 892688537 /nfs/dbraw/zinc/68/85/37/892688537.db2.gz XXLWWJPOTLRJFV-MRVPVSSYSA-N 0 3 284.316 -1.036 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001482759708 892688561 /nfs/dbraw/zinc/68/85/61/892688561.db2.gz AHAUBLZLVHVHIO-NDBYEHHHSA-N 0 3 294.355 -1.121 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1csnn1 ZINC001482754813 892688598 /nfs/dbraw/zinc/68/85/98/892688598.db2.gz IPDGOFJRUOBMFY-ZETCQYMHSA-N 0 3 287.345 -1.646 20 0 CAADHN Cc1nn(C)c(C)c1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001482754382 892688688 /nfs/dbraw/zinc/68/86/88/892688688.db2.gz WECQVISBTFJUMX-JTQLQIEISA-N 0 3 297.359 -1.869 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001482759298 892688799 /nfs/dbraw/zinc/68/87/99/892688799.db2.gz UHWBWCMRDVQEFU-MRVPVSSYSA-N 0 3 299.335 -2.585 20 0 CAADHN CC[C@@H](F)C(=O)NC[C@@H](O)CNCCS(C)(=O)=O ZINC001482758069 892688864 /nfs/dbraw/zinc/68/88/64/892688864.db2.gz VQGPIHLIYRSNHM-DTWKUNHWSA-N 0 3 284.353 -1.154 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001482754259 892689003 /nfs/dbraw/zinc/68/90/03/892689003.db2.gz UFVRRLGANBJGHQ-PSASIEDQSA-N 0 3 281.316 -1.713 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001482754270 892689034 /nfs/dbraw/zinc/68/90/34/892689034.db2.gz UFVRRLGANBJGHQ-WPRPVWTQSA-N 0 3 281.316 -1.713 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC1CC1 ZINC001482760503 892689146 /nfs/dbraw/zinc/68/91/46/892689146.db2.gz OONVDZNBFDFNKG-DCQANWLSSA-N 0 3 297.355 -1.776 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001482757337 892689314 /nfs/dbraw/zinc/68/93/14/892689314.db2.gz HYQNXQHOTGEETC-ZETCQYMHSA-N 0 3 285.304 -2.448 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1csnn1 ZINC001482754812 892689329 /nfs/dbraw/zinc/68/93/29/892689329.db2.gz IPDGOFJRUOBMFY-SSDOTTSWSA-N 0 3 287.345 -1.646 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CNC/C=C\Cl)n1 ZINC001482759491 892689438 /nfs/dbraw/zinc/68/94/38/892689438.db2.gz WTHQQVMULSKDJQ-SKRYNEFJSA-N 0 3 274.712 -1.357 20 0 CAADHN O=C(NC[C@H](O)CNCc1cccnc1)[C@H]1CCNC1=O ZINC001482756919 892689595 /nfs/dbraw/zinc/68/95/95/892689595.db2.gz DLJWCZSABYMGDW-NEPJUHHUSA-N 0 3 292.339 -1.216 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001482760213 892689694 /nfs/dbraw/zinc/68/96/94/892689694.db2.gz JXQOXIAPEFVLQX-VFCFLDTKSA-N 0 3 271.317 -2.181 20 0 CAADHN O=C(NC[C@H](O)CNCc1cccnc1)[C@@H]1CCNC1=O ZINC001482756926 892689885 /nfs/dbraw/zinc/68/98/85/892689885.db2.gz DLJWCZSABYMGDW-VXGBXAGGSA-N 0 3 292.339 -1.216 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001482762123 892691296 /nfs/dbraw/zinc/69/12/96/892691296.db2.gz JMGGACKIAJTCAV-VHSXEESVSA-N 0 3 296.331 -2.332 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001482760688 892691427 /nfs/dbraw/zinc/69/14/27/892691427.db2.gz PKYHWQSMZXYHKS-ZDCRXTMVSA-N 0 3 269.345 -1.155 20 0 CAADHN CCc1ncoc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001482766525 892691519 /nfs/dbraw/zinc/69/15/19/892691519.db2.gz LGRISVVGRAYEAZ-WCBMZHEXSA-N 0 3 296.327 -1.194 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C(N)=O ZINC001482765148 892691667 /nfs/dbraw/zinc/69/16/67/892691667.db2.gz GLEDFNPUWVGQIU-IUCAKERBSA-N 0 3 288.348 -2.301 20 0 CAADHN CCCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C(N)=O ZINC001482765099 892691980 /nfs/dbraw/zinc/69/19/80/892691980.db2.gz FGIBZOPHOVQIHQ-YUMQZZPRSA-N 0 3 274.321 -2.547 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001482760686 892692134 /nfs/dbraw/zinc/69/21/34/892692134.db2.gz PKYHWQSMZXYHKS-VPOLOUISSA-N 0 3 269.345 -1.155 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001482762340 892692701 /nfs/dbraw/zinc/69/27/01/892692701.db2.gz ORKZCLNOFPIQRU-CABZTGNLSA-N 0 3 291.323 -1.682 20 0 CAADHN Cc1cncc(CNC[C@H](O)CNC(=O)C(N)=O)c1 ZINC001482766125 892692717 /nfs/dbraw/zinc/69/27/17/892692717.db2.gz MIGACEXUYMKHCY-JTQLQIEISA-N 0 3 266.301 -1.558 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001482762342 892692828 /nfs/dbraw/zinc/69/28/28/892692828.db2.gz ORKZCLNOFPIQRU-JOYOIKCWSA-N 0 3 291.323 -1.682 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccn(CC)n1 ZINC001482773606 892694435 /nfs/dbraw/zinc/69/44/35/892694435.db2.gz CCSATZRWFAKJOL-JTQLQIEISA-N 0 3 297.359 -1.281 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001482771839 892694645 /nfs/dbraw/zinc/69/46/45/892694645.db2.gz MZUICXMNTGIFKN-DTWKUNHWSA-N 0 3 298.343 -1.691 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001482771840 892694896 /nfs/dbraw/zinc/69/48/96/892694896.db2.gz MZUICXMNTGIFKN-IUCAKERBSA-N 0 3 298.343 -1.691 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001482771841 892694934 /nfs/dbraw/zinc/69/49/34/892694934.db2.gz MZUICXMNTGIFKN-RKDXNWHRSA-N 0 3 298.343 -1.691 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1(C(F)(F)F)CC1 ZINC001482770099 892695127 /nfs/dbraw/zinc/69/51/27/892695127.db2.gz NQOOVUCQBMNRTC-ZCFIWIBFSA-N 0 3 283.250 -1.119 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1[nH]c(C)nc1C ZINC001482770272 892695855 /nfs/dbraw/zinc/69/58/55/892695855.db2.gz PGJMJEZJOIRTFZ-VIFPVBQESA-N 0 3 283.332 -1.547 20 0 CAADHN NC(=O)C(=O)NC[C@H](O)CNCC(=O)NC1CCCC1 ZINC001482768568 892695915 /nfs/dbraw/zinc/69/59/15/892695915.db2.gz ZANYPGYOMABBNH-SECBINFHSA-N 0 3 286.332 -2.403 20 0 CAADHN C[C@H](C(=O)NC[C@H](O)CNCC(N)=O)c1ccco1 ZINC001482768173 892696117 /nfs/dbraw/zinc/69/61/17/892696117.db2.gz RNCUENCNPIRFBA-DTWKUNHWSA-N 0 3 269.301 -1.065 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001482776144 892697564 /nfs/dbraw/zinc/69/75/64/892697564.db2.gz DBFGXTHTQYJGLK-KXUCPTDWSA-N 0 3 298.343 -1.706 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1coc(C2CC2)n1 ZINC001482775719 892697642 /nfs/dbraw/zinc/69/76/42/892697642.db2.gz AQCQZVSIBHFOSC-QMMMGPOBSA-N 0 3 282.300 -1.282 20 0 CAADHN CCCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnon1 ZINC001482779426 892698148 /nfs/dbraw/zinc/69/81/48/892698148.db2.gz JYJSMQWYRVEJBE-RKDXNWHRSA-N 0 3 299.331 -1.335 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](O)CNCCF)CCCS1(=O)=O ZINC001482775623 892698190 /nfs/dbraw/zinc/69/81/90/892698190.db2.gz PVSIKRRFUAVTBD-KOLCDFICSA-N 0 3 296.364 -1.010 20 0 CAADHN CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H](O)CNCCF ZINC001482775717 892698230 /nfs/dbraw/zinc/69/82/30/892698230.db2.gz APNARKNMLAZSKH-QMMMGPOBSA-N 0 3 299.368 -1.650 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C)n1 ZINC001482776670 892698307 /nfs/dbraw/zinc/69/83/07/892698307.db2.gz GJBNXGWYOVKGSS-ZJUUUORDSA-N 0 3 297.359 -1.125 20 0 CAADHN CCCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnon1 ZINC001482779423 892698553 /nfs/dbraw/zinc/69/85/53/892698553.db2.gz JYJSMQWYRVEJBE-BDAKNGLRSA-N 0 3 299.331 -1.335 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001482776650 892698762 /nfs/dbraw/zinc/69/87/62/892698762.db2.gz GGCQEFWKTGNVHM-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccnc(C)c1 ZINC001482779235 892698789 /nfs/dbraw/zinc/69/87/89/892698789.db2.gz IAASQJUTKYIYPF-LLVKDONJSA-N 0 3 280.328 -1.184 20 0 CAADHN Cn1ncc(CNC[C@H](O)CNC(=O)c2ncn[nH]2)n1 ZINC001482779127 892699075 /nfs/dbraw/zinc/69/90/75/892699075.db2.gz WCHZYBUDTLVIRC-QMMMGPOBSA-N 0 3 280.292 -2.186 20 0 CAADHN Cn1ncc(CNC[C@H](O)CNC(=O)c2nc[nH]n2)n1 ZINC001482779127 892699078 /nfs/dbraw/zinc/69/90/78/892699078.db2.gz WCHZYBUDTLVIRC-QMMMGPOBSA-N 0 3 280.292 -2.186 20 0 CAADHN CCn1ccc(C(=O)NC[C@H](O)CN[C@H](C)C(=O)NC)n1 ZINC001482776189 892699169 /nfs/dbraw/zinc/69/91/69/892699169.db2.gz VXYAPHUPYWHBBF-NXEZZACHSA-N 0 3 297.359 -1.282 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C)n1 ZINC001482776664 892699293 /nfs/dbraw/zinc/69/92/93/892699293.db2.gz GJBNXGWYOVKGSS-NXEZZACHSA-N 0 3 297.359 -1.125 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)nn1 ZINC001482781066 892700958 /nfs/dbraw/zinc/70/09/58/892700958.db2.gz LNMVAULRTNPZPX-SECBINFHSA-N 0 3 298.347 -1.934 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1ncccn1)C(N)=O ZINC001482780129 892701185 /nfs/dbraw/zinc/70/11/85/892701185.db2.gz YEPKBMCVEUCVRW-ZJUUUORDSA-N 0 3 295.343 -1.650 20 0 CAADHN COc1ncc(C(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001482782219 892701248 /nfs/dbraw/zinc/70/12/48/892701248.db2.gz BFCGUQMHLZOTEX-MRVPVSSYSA-N 0 3 283.288 -2.349 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cc(Cl)no1)C(N)=O ZINC001482786235 892701283 /nfs/dbraw/zinc/70/12/83/892701283.db2.gz BIXSEQIGVOJRMS-NTSWFWBYSA-N 0 3 290.707 -1.118 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)o1 ZINC001482781991 892701521 /nfs/dbraw/zinc/70/15/21/892701521.db2.gz MILQJYOZEAXQHT-RKDXNWHRSA-N 0 3 297.311 -1.143 20 0 CAADHN CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001482784015 892701735 /nfs/dbraw/zinc/70/17/35/892701735.db2.gz AGFFPQJBHVDETK-VIFPVBQESA-N 0 3 298.347 -2.062 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(N)=O)ccn1 ZINC001482779553 892701913 /nfs/dbraw/zinc/70/19/13/892701913.db2.gz MASSJQPAVRKHRK-SNVBAGLBSA-N 0 3 266.301 -1.444 20 0 CAADHN CCCn1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)nn1 ZINC001482781352 892702074 /nfs/dbraw/zinc/70/20/74/892702074.db2.gz PVDUEQOMWKDZMU-IUCAKERBSA-N 0 3 298.347 -1.758 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001482785741 892702286 /nfs/dbraw/zinc/70/22/86/892702286.db2.gz WSIIDQZXUXPUCB-MRVPVSSYSA-N 0 3 284.320 -2.498 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001482782871 892702673 /nfs/dbraw/zinc/70/26/73/892702673.db2.gz UPBDLOWEIVATDY-QMMMGPOBSA-N 0 3 272.305 -2.935 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1ncccn1)C(N)=O ZINC001482780128 892702689 /nfs/dbraw/zinc/70/26/89/892702689.db2.gz YEPKBMCVEUCVRW-VHSXEESVSA-N 0 3 295.343 -1.650 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1oncc1C ZINC001482780343 892702726 /nfs/dbraw/zinc/70/27/26/892702726.db2.gz BWQQWGNCSFABIO-VIFPVBQESA-N 0 3 284.316 -1.201 20 0 CAADHN C[C@H](CC(=O)NC[C@H](O)CNCC(N)=O)n1cccc1 ZINC001482787841 892704204 /nfs/dbraw/zinc/70/42/04/892704204.db2.gz GSZMZVGUAINWLB-GHMZBOCLSA-N 0 3 282.344 -1.009 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001482792878 892704256 /nfs/dbraw/zinc/70/42/56/892704256.db2.gz HNEMTYVBURVUJD-DTWKUNHWSA-N 0 3 286.332 -2.451 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cn1cncn1)C(=O)N(C)C ZINC001482792130 892705018 /nfs/dbraw/zinc/70/50/18/892705018.db2.gz FFEJNXSLHQXAOX-VHSXEESVSA-N 0 3 298.347 -2.179 20 0 CAADHN COc1cccnc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001482788106 892705422 /nfs/dbraw/zinc/70/54/22/892705422.db2.gz LMTBGJPSQIFHMM-BDAKNGLRSA-N 0 3 296.327 -1.356 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NC[C@H](O)CNCCF ZINC001482791696 892705827 /nfs/dbraw/zinc/70/58/27/892705827.db2.gz AXHKYXYJZKOKDG-SSDOTTSWSA-N 0 3 276.268 -2.426 20 0 CAADHN CCC[C@@H](C(=O)N[C@H](C)CN(C)CCO)S(N)(=O)=O ZINC001483366981 892759404 /nfs/dbraw/zinc/75/94/04/892759404.db2.gz AFOIZZPKRHUOMC-ZJUUUORDSA-N 0 3 295.405 -1.128 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001482796094 892707810 /nfs/dbraw/zinc/70/78/10/892707810.db2.gz UBBCOVVSEXVOAM-JTQLQIEISA-N 0 3 296.327 -1.396 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)Cc2ccc[nH]2)C1=O ZINC001482796939 892707964 /nfs/dbraw/zinc/70/79/64/892707964.db2.gz GZUBIZDCYWTVCF-VXGBXAGGSA-N 0 3 294.355 -1.145 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001482797447 892708109 /nfs/dbraw/zinc/70/81/09/892708109.db2.gz QELUMMURCMRITP-UWVGGRQHSA-N 0 3 288.348 -2.741 20 0 CAADHN NC(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)CNCCF ZINC001482799035 892708368 /nfs/dbraw/zinc/70/83/68/892708368.db2.gz KLEPPYBTKOBYGH-IUCAKERBSA-N 0 3 276.312 -1.434 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001482798341 892708689 /nfs/dbraw/zinc/70/86/89/892708689.db2.gz BZECDZMHPMODSQ-SNVBAGLBSA-N 0 3 283.332 -1.962 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001482797446 892708858 /nfs/dbraw/zinc/70/88/58/892708858.db2.gz QELUMMURCMRITP-NXEZZACHSA-N 0 3 288.348 -2.741 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)NC[C@H](O)CNCCF ZINC001482794751 892709136 /nfs/dbraw/zinc/70/91/36/892709136.db2.gz ZNXRXLWEYDLZSC-NWDGAFQWSA-N 0 3 291.367 -1.009 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1cnn(C)c1 ZINC001482800139 892709504 /nfs/dbraw/zinc/70/95/04/892709504.db2.gz UFQCVWXBBNCSRW-LLVKDONJSA-N 0 3 297.359 -1.835 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CNCC(N)=O ZINC001482803102 892709707 /nfs/dbraw/zinc/70/97/07/892709707.db2.gz ZTWISFZFMUQXQA-SSDOTTSWSA-N 0 3 255.278 -2.116 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)Cc2ccc[nH]2)C1=O ZINC001482796938 892709729 /nfs/dbraw/zinc/70/97/29/892709729.db2.gz GZUBIZDCYWTVCF-RYUDHWBXSA-N 0 3 294.355 -1.145 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](O)CNCc1nnnn1C ZINC001482798856 892709803 /nfs/dbraw/zinc/70/98/03/892709803.db2.gz KJVUOVBQQCVFDX-JTQLQIEISA-N 0 3 299.379 -1.883 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001482797448 892710164 /nfs/dbraw/zinc/71/01/64/892710164.db2.gz QELUMMURCMRITP-VHSXEESVSA-N 0 3 288.348 -2.741 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)c1ncn(C)n1 ZINC001482923552 892714512 /nfs/dbraw/zinc/71/45/12/892714512.db2.gz XGIAHABAVKXKHH-MRVPVSSYSA-N 0 3 268.321 -1.259 20 0 CAADHN CCN(CCNCC(=O)NC(=O)NC)C(=O)c1cn[nH]c1 ZINC001482920566 892714682 /nfs/dbraw/zinc/71/46/82/892714682.db2.gz HZWMDAGZZVLQRC-UHFFFAOYSA-N 0 3 296.331 -1.083 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001482892728 892714801 /nfs/dbraw/zinc/71/48/01/892714801.db2.gz QMWDWCIQJHXVCM-BDAKNGLRSA-N 0 3 282.348 -1.034 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001482892738 892714901 /nfs/dbraw/zinc/71/49/01/892714901.db2.gz QMWDWCIQJHXVCM-RKDXNWHRSA-N 0 3 282.348 -1.034 20 0 CAADHN CCN(CCNCC(=O)NC1CC1)C(=O)Cn1cnnn1 ZINC001482911487 892715040 /nfs/dbraw/zinc/71/50/40/892715040.db2.gz JNUHNCTXRLTKRR-UHFFFAOYSA-N 0 3 295.347 -1.610 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)Cn1ncn(C)c1=O ZINC001482934955 892715116 /nfs/dbraw/zinc/71/51/16/892715116.db2.gz GPFLDCLJTXBTLY-VIFPVBQESA-N 0 3 298.347 -2.106 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1COC(=O)N1 ZINC001482921537 892715192 /nfs/dbraw/zinc/71/51/92/892715192.db2.gz BCXAYSLEQDVUII-SSDOTTSWSA-N 0 3 258.278 -1.982 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001482926815 892715749 /nfs/dbraw/zinc/71/57/49/892715749.db2.gz DYVSUTYVJQPSFJ-VIFPVBQESA-N 0 3 270.333 -1.612 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)Cn1ncn(C)c1=O ZINC001482934948 892716039 /nfs/dbraw/zinc/71/60/39/892716039.db2.gz GPFLDCLJTXBTLY-SECBINFHSA-N 0 3 298.347 -2.106 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001482892737 892716234 /nfs/dbraw/zinc/71/62/34/892716234.db2.gz QMWDWCIQJHXVCM-IUCAKERBSA-N 0 3 282.348 -1.034 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001482922359 892716428 /nfs/dbraw/zinc/71/64/28/892716428.db2.gz QSWQFNKUKSBERL-BDAKNGLRSA-N 0 3 284.316 -1.579 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)C1(C(N)=O)CC1 ZINC001482948147 892717273 /nfs/dbraw/zinc/71/72/73/892717273.db2.gz FEDPLEUJJIQNAO-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001482971953 892717298 /nfs/dbraw/zinc/71/72/98/892717298.db2.gz PUEKYZCLJKYWPK-UWVGGRQHSA-N 0 3 299.375 -1.159 20 0 CAADHN CCN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CCC(=O)N1 ZINC001482963154 892717364 /nfs/dbraw/zinc/71/73/64/892717364.db2.gz PUNDPFXMRLLBBO-NSHDSACASA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1c[nH]c(=O)cn1 ZINC001482948746 892717456 /nfs/dbraw/zinc/71/74/56/892717456.db2.gz RMBMQGKWTFKCHC-UHFFFAOYSA-N 0 3 267.289 -1.693 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001482966159 892717577 /nfs/dbraw/zinc/71/75/77/892717577.db2.gz FWSPLHAHRAMFOM-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)c1nc(C)c[nH]1 ZINC001482954978 892717962 /nfs/dbraw/zinc/71/79/62/892717962.db2.gz RVINXKWLMBQLNI-UHFFFAOYSA-N 0 3 296.331 -1.035 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001482963050 892718147 /nfs/dbraw/zinc/71/81/47/892718147.db2.gz PRNPJUKNLXRARO-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)C1(C(N)=O)CC1 ZINC001482948149 892718166 /nfs/dbraw/zinc/71/81/66/892718166.db2.gz FEDPLEUJJIQNAO-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)C(N)=O ZINC001482949498 892718420 /nfs/dbraw/zinc/71/84/20/892718420.db2.gz OGLNQLQSCFYORJ-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001482941646 892718727 /nfs/dbraw/zinc/71/87/27/892718727.db2.gz NRDKLQFFRPYTBV-JQWIXIFHSA-N 0 3 287.360 -1.039 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001482950576 892718760 /nfs/dbraw/zinc/71/87/60/892718760.db2.gz XIRXPXHUZVOOGY-HLTSFMKQSA-N 0 3 270.333 -1.580 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001482950577 892719893 /nfs/dbraw/zinc/71/98/93/892719893.db2.gz XIRXPXHUZVOOGY-YIZRAAEISA-N 0 3 270.333 -1.580 20 0 CAADHN CCN1CC[C@@H](NC/C=C/CNC(=O)CC(N)=O)C1=O ZINC001482995358 892721136 /nfs/dbraw/zinc/72/11/36/892721136.db2.gz VSOAECOYZVILFI-HMDXOVGESA-N 0 3 282.344 -1.255 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@@H]1CCC(=O)NC1)C(N)=O ZINC001483028438 892721214 /nfs/dbraw/zinc/72/12/14/892721214.db2.gz OXQLFJMKXLLMNO-MDCNRGEUSA-N 0 3 282.344 -1.352 20 0 CAADHN CCNC(=O)CC(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001482999362 892721442 /nfs/dbraw/zinc/72/14/42/892721442.db2.gz JCBAHFCBAHPCIO-WBSSQXGSSA-N 0 3 270.333 -1.352 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)c1ncn(C)n1)C(N)=O ZINC001483004577 892721657 /nfs/dbraw/zinc/72/16/57/892721657.db2.gz SOHDHTNBMYNNEY-MPJRPATESA-N 0 3 266.305 -1.436 20 0 CAADHN CCN1CC[C@@H](NC/C=C\CNC(=O)CC(N)=O)C1=O ZINC001482995359 892721713 /nfs/dbraw/zinc/72/17/13/892721713.db2.gz VSOAECOYZVILFI-UMBAGQNISA-N 0 3 282.344 -1.255 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)c1cn[nH]c(=O)c1)C(N)=O ZINC001483021844 892722704 /nfs/dbraw/zinc/72/27/04/892722704.db2.gz BTVBDDNBMUCTSX-SGJFDWMWSA-N 0 3 279.300 -1.068 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)c1cn[nH]c(=O)c1)C(N)=O ZINC001483021847 892723078 /nfs/dbraw/zinc/72/30/78/892723078.db2.gz BTVBDDNBMUCTSX-YAJNLLPGSA-N 0 3 279.300 -1.068 20 0 CAADHN CNC(=O)NCC(=O)NC/C=C\CN[C@H]1CCCNC1=O ZINC001483015140 892723253 /nfs/dbraw/zinc/72/32/53/892723253.db2.gz FCVKYVLJJDXEMS-ZMWSMAPVSA-N 0 3 297.359 -1.544 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C1=COCCO1 ZINC001483106588 892727682 /nfs/dbraw/zinc/72/76/82/892727682.db2.gz SEYNWZJVRTWYOI-SFYZADRCSA-N 0 3 257.290 -1.157 20 0 CAADHN NC(=O)NC(=O)CNC/C=C\CNC(=O)Cn1ccnc1 ZINC001483100430 892727791 /nfs/dbraw/zinc/72/77/91/892727791.db2.gz HCBWHBGJTXUTJK-UPHRSURJSA-N 0 3 294.315 -1.660 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)C[C@H]1CCCO1 ZINC001483111324 892727901 /nfs/dbraw/zinc/72/79/01/892727901.db2.gz QSRBQEJSFPNPLT-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cc[n+]([O-])cc1 ZINC001483105673 892728573 /nfs/dbraw/zinc/72/85/73/892728573.db2.gz DZBUVXUVMCEFLJ-BDAKNGLRSA-N 0 3 266.301 -1.098 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CS(C)(=O)=O)C(N)=O ZINC001483112263 892728629 /nfs/dbraw/zinc/72/86/29/892728629.db2.gz MJQWCZNPNGWBIS-SFYZADRCSA-N 0 3 279.362 -1.611 20 0 CAADHN COCC(=O)N[C@H](C)CNCC(=O)NC(=O)NC1CC1 ZINC001483103455 892728859 /nfs/dbraw/zinc/72/88/59/892728859.db2.gz QYLYOAKOWXEDBF-MRVPVSSYSA-N 0 3 286.332 -1.285 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCCN(C)C1=O ZINC001483105133 892729075 /nfs/dbraw/zinc/72/90/75/892729075.db2.gz HIRSCJLUNWUAAW-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CNC(=O)C1CC1 ZINC001483112417 892729354 /nfs/dbraw/zinc/72/93/54/892729354.db2.gz IHMNDLOEEBCFSP-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001483113100 892729382 /nfs/dbraw/zinc/72/93/82/892729382.db2.gz YIYXHOFDXVUYEA-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnn(C)c1 ZINC001483108258 892729407 /nfs/dbraw/zinc/72/94/07/892729407.db2.gz CDIBABBYDZRLEA-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)CN[C@H]1CCCNC1=O ZINC001483109990 892729491 /nfs/dbraw/zinc/72/94/91/892729491.db2.gz OXFQQSRLPYVBEP-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CNCc1n[nH]c(C)n1 ZINC001483105167 892729554 /nfs/dbraw/zinc/72/95/54/892729554.db2.gz ISBWYLNCBHAJRL-SSDOTTSWSA-N 0 3 268.321 -1.156 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)C[C@@H]1CCCO1 ZINC001483111323 892729694 /nfs/dbraw/zinc/72/96/94/892729694.db2.gz QSRBQEJSFPNPLT-BDAKNGLRSA-N 0 3 286.332 -1.155 20 0 CAADHN CNC(=O)CNC/C=C/CNC(=O)Cn1ccnc1 ZINC001483100598 892729800 /nfs/dbraw/zinc/72/98/00/892729800.db2.gz KFTSIEUDOCDVRZ-NSCUHMNNSA-N 0 3 265.317 -1.109 20 0 CAADHN CNC(=O)CNC/C=C\CNC(=O)Cn1ccnc1 ZINC001483100597 892730442 /nfs/dbraw/zinc/73/04/42/892730442.db2.gz KFTSIEUDOCDVRZ-IHWYPQMZSA-N 0 3 265.317 -1.109 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1cn[nH]c(=O)c1 ZINC001483137861 892732335 /nfs/dbraw/zinc/73/23/35/892732335.db2.gz GKYKGAZJNXLQET-APPZFPTMSA-N 0 3 279.300 -1.221 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001483125506 892732399 /nfs/dbraw/zinc/73/23/99/892732399.db2.gz OVMNTODSKQVUAG-HTQZYQBOSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CO[C@@H]1CCOC1 ZINC001483127591 892732575 /nfs/dbraw/zinc/73/25/75/892732575.db2.gz UPSPJIQMEYIOGX-RKDXNWHRSA-N 0 3 259.306 -1.629 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1nccnc1N ZINC001483115460 892733475 /nfs/dbraw/zinc/73/34/75/892733475.db2.gz IXWLECZUBVHFBG-MRVPVSSYSA-N 0 3 280.332 -1.097 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cn[nH]c(=O)c1 ZINC001483138207 892732643 /nfs/dbraw/zinc/73/26/43/892732643.db2.gz LLBAQADUCRKNPE-ZCFIWIBFSA-N 0 3 253.262 -1.625 20 0 CAADHN CCn1ncc(C(=O)N[C@H](C)CNCC(=O)NC)n1 ZINC001483125381 892732975 /nfs/dbraw/zinc/73/29/75/892732975.db2.gz DFMKEHJEDVTFPF-MRVPVSSYSA-N 0 3 268.321 -1.248 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001483125507 892733004 /nfs/dbraw/zinc/73/30/04/892733004.db2.gz OVMNTODSKQVUAG-SFYZADRCSA-N 0 3 268.321 -1.343 20 0 CAADHN CNC(=O)CCCC(=O)N[C@H](C)CNCC(N)=O ZINC001483120632 892733800 /nfs/dbraw/zinc/73/38/00/892733800.db2.gz BBTDJEQEHJGPGZ-MRVPVSSYSA-N 0 3 258.322 -1.518 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)c1cn(C)nn1 ZINC001483125183 892734059 /nfs/dbraw/zinc/73/40/59/892734059.db2.gz JEQMYCSXPDVTPJ-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)c1cnnn1C ZINC001483124008 892734195 /nfs/dbraw/zinc/73/41/95/892734195.db2.gz BXGUAJJFOZXBPS-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCC(=O)NC1 ZINC001483142906 892735292 /nfs/dbraw/zinc/73/52/92/892735292.db2.gz BIKSDHYWDIXYMZ-SFYZADRCSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001483160456 892735530 /nfs/dbraw/zinc/73/55/30/892735530.db2.gz WQYBFGAUGJOSDM-RQJHMYQMSA-N 0 3 269.309 -1.948 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001483142905 892735733 /nfs/dbraw/zinc/73/57/33/892735733.db2.gz BIKSDHYWDIXYMZ-HTQZYQBOSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)Cc1cnoc1 ZINC001483159035 892735812 /nfs/dbraw/zinc/73/58/12/892735812.db2.gz FSMGNFXGKAAUTO-MRVPVSSYSA-N 0 3 297.315 -1.233 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001483164692 892735891 /nfs/dbraw/zinc/73/58/91/892735891.db2.gz MSEIKIKGYDDTOJ-LWINAJNOSA-N 0 3 270.333 -1.377 20 0 CAADHN CCS(=O)(=O)NCCNC[C@@H](C)NC(=O)C(N)=O ZINC001483164241 892736020 /nfs/dbraw/zinc/73/60/20/892736020.db2.gz VJZZHLDYPYVMRJ-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001483158992 892736053 /nfs/dbraw/zinc/73/60/53/892736053.db2.gz DYKXGUQHYAWRRI-PELKAZGASA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001483162084 892736238 /nfs/dbraw/zinc/73/62/38/892736238.db2.gz HVTKTGFDWPRLGF-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN Cc1csc(=O)n1CCNC[C@@H](C)NC(=O)C(N)=O ZINC001483163269 892736377 /nfs/dbraw/zinc/73/63/77/892736377.db2.gz FRULNOWZZGVVBZ-SSDOTTSWSA-N 0 3 286.357 -1.202 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001483161634 892736436 /nfs/dbraw/zinc/73/64/36/892736436.db2.gz PQKAIXLPXZGKFI-SFYZADRCSA-N 0 3 279.300 -1.634 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001483148511 892736519 /nfs/dbraw/zinc/73/65/19/892736519.db2.gz MSIRTEGEQJNBSH-NXEZZACHSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001483144077 892736752 /nfs/dbraw/zinc/73/67/52/892736752.db2.gz KUCVWVSZUOWKER-ZJUUUORDSA-N 0 3 299.375 -2.272 20 0 CAADHN CC[C@H](C)NC(=O)CNC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001483158826 892737117 /nfs/dbraw/zinc/73/71/17/892737117.db2.gz BWCRXQDRZKGEMK-DTWKUNHWSA-N 0 3 297.363 -1.167 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001483141287 892737399 /nfs/dbraw/zinc/73/73/99/892737399.db2.gz CKNLIMCRVSTICP-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001483162013 892737463 /nfs/dbraw/zinc/73/74/63/892737463.db2.gz YIWUHVYQWBMCJL-SSDOTTSWSA-N 0 3 267.289 -1.776 20 0 CAADHN CCCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001483161934 892737646 /nfs/dbraw/zinc/73/76/46/892737646.db2.gz GJSYEKKCONCWBG-ZJUUUORDSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@H](CNCc1nnnn1C)NC(=O)[C@H]1CCCN1C ZINC001483157426 892737706 /nfs/dbraw/zinc/73/77/06/892737706.db2.gz MAVYWXPCWCAPGZ-NXEZZACHSA-N 0 3 281.364 -1.101 20 0 CAADHN C[C@H](CNCCF)NC(=O)CN1CC(=O)N(C)C1=O ZINC001483183190 892738793 /nfs/dbraw/zinc/73/87/93/892738793.db2.gz BAWLXYNWCUOIOI-MRVPVSSYSA-N 0 3 274.296 -1.056 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CNCCS(C)(=O)=O ZINC001483204736 892738881 /nfs/dbraw/zinc/73/88/81/892738881.db2.gz KSDFKOUBAKGRBC-QMMMGPOBSA-N 0 3 279.362 -1.739 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1ccncn1 ZINC001483176910 892738904 /nfs/dbraw/zinc/73/89/04/892738904.db2.gz DGUBISMTQBANHF-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001483201057 892738929 /nfs/dbraw/zinc/73/89/29/892738929.db2.gz KNYQBJZERPSYQQ-SFYZADRCSA-N 0 3 271.321 -1.891 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCS(=O)(=O)N(C)C ZINC001483198760 892738963 /nfs/dbraw/zinc/73/89/63/892738963.db2.gz YWILUCZCNQJJSF-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)CCNC(N)=O)n[nH]1 ZINC001483192432 892738979 /nfs/dbraw/zinc/73/89/79/892738979.db2.gz QCYQUXARZADUTQ-SSDOTTSWSA-N 0 3 283.336 -1.234 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CCNC(N)=O)C(N)=O ZINC001483192152 892738995 /nfs/dbraw/zinc/73/89/95/892738995.db2.gz FUJRBMBFRUIIPF-SFYZADRCSA-N 0 3 273.337 -1.597 20 0 CAADHN C[C@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cc1nnc[n-]1 ZINC001483182978 892739080 /nfs/dbraw/zinc/73/90/80/892739080.db2.gz UFNDUJWAWFIXQB-BDAKNGLRSA-N 0 3 280.332 -1.328 20 0 CAADHN C[C@H](CNCC(=O)N1CCOCC1)NC(=O)c1cnon1 ZINC001483179570 892739118 /nfs/dbraw/zinc/73/91/18/892739118.db2.gz IUQYFYZVTMXWMM-SECBINFHSA-N 0 3 297.315 -1.364 20 0 CAADHN C[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cc1nnc[n-]1 ZINC001483182546 892739136 /nfs/dbraw/zinc/73/91/36/892739136.db2.gz CUQXPRUASKYVPD-BDAKNGLRSA-N 0 3 282.348 -1.082 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCn1cnnn1 ZINC001483177889 892739172 /nfs/dbraw/zinc/73/91/72/892739172.db2.gz PYOBMHFNPGOFKS-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnccn1 ZINC001483205163 892739211 /nfs/dbraw/zinc/73/92/11/892739211.db2.gz BHUDAYBGJABCQI-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001483206827 892739222 /nfs/dbraw/zinc/73/92/22/892739222.db2.gz QLPKYGYUKCDEHM-IUCAKERBSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001483171250 892739247 /nfs/dbraw/zinc/73/92/47/892739247.db2.gz LLZFGHIBZMBEAR-CSMHCCOUSA-N 0 3 297.315 -2.433 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CCc1cn(C)nn1 ZINC001483201248 892739254 /nfs/dbraw/zinc/73/92/54/892739254.db2.gz NIIBLGCXIKWWSL-SNVBAGLBSA-N 0 3 296.375 -1.070 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCn1cnnn1 ZINC001483177958 892739261 /nfs/dbraw/zinc/73/92/61/892739261.db2.gz QVLHTAJUZPDYOU-RKDXNWHRSA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN1C(=O)CN(C)C1=O ZINC001483192407 892739296 /nfs/dbraw/zinc/73/92/96/892739296.db2.gz PCYHBFDNQPKZJF-SSDOTTSWSA-N 0 3 285.304 -2.540 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccc(C(N)=O)nc1 ZINC001483199542 892739489 /nfs/dbraw/zinc/73/94/89/892739489.db2.gz MOKYZEISDYLRFP-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN CCN1CC[C@H](NC[C@H](C)NC(=O)CNC(C)=O)C1=O ZINC001483204486 892739525 /nfs/dbraw/zinc/73/95/25/892739525.db2.gz AKFMYELPKUMYEB-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001483171251 892739997 /nfs/dbraw/zinc/73/99/97/892739997.db2.gz LLZFGHIBZMBEAR-PRJMDXOYSA-N 0 3 297.315 -2.433 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CNCC(=O)N(C)C1CC1 ZINC001483205052 892740084 /nfs/dbraw/zinc/74/00/84/892740084.db2.gz WORACXVEZSHUIR-VIFPVBQESA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)Cc1ncc[nH]1 ZINC001483179342 892740230 /nfs/dbraw/zinc/74/02/30/892740230.db2.gz ZFFZPBWIEJRJSW-RKDXNWHRSA-N 0 3 265.317 -1.065 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1ccncn1 ZINC001483177351 892740266 /nfs/dbraw/zinc/74/02/66/892740266.db2.gz VSVJYJPIMVNQAL-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cnn(CCOC)c1 ZINC001483189622 892740368 /nfs/dbraw/zinc/74/03/68/892740368.db2.gz YXPXKXGOFGRPJK-SNVBAGLBSA-N 0 3 297.359 -1.017 20 0 CAADHN COc1cncc(C(=O)N[C@H](C)CNCC(N)=O)n1 ZINC001483174042 892740412 /nfs/dbraw/zinc/74/04/12/892740412.db2.gz PTSANBVKGGFBJK-SSDOTTSWSA-N 0 3 267.289 -1.322 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)CCn1cnnn1 ZINC001483177488 892740961 /nfs/dbraw/zinc/74/09/61/892740961.db2.gz BFXPXFSLRYUDAB-SNVBAGLBSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](CNCc1nnnn1C)NC(=O)CCc1cnn[nH]1 ZINC001483167881 892741107 /nfs/dbraw/zinc/74/11/07/892741107.db2.gz DLMGGXJZMQMNIF-MRVPVSSYSA-N 0 3 293.335 -1.445 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CN(C)S(C)(=O)=O ZINC001483231558 892742186 /nfs/dbraw/zinc/74/21/86/892742186.db2.gz RAMLPHXSTAJYEB-ZETCQYMHSA-N 0 3 280.350 -2.543 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CN[C@H](CC)C(N)=O ZINC001483214621 892742595 /nfs/dbraw/zinc/74/25/95/892742595.db2.gz DOQGCRPGQVMNOZ-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@@H](C)NC(=O)CNC[C@H](C)NC(=O)Cn1ncnn1 ZINC001483228219 892742650 /nfs/dbraw/zinc/74/26/50/892742650.db2.gz DACZXQDWNHDTJS-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001483214868 892742670 /nfs/dbraw/zinc/74/26/70/892742670.db2.gz SKLFPSOVYAFJCH-BIIVOSGPSA-N 0 3 256.306 -1.767 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cocn1 ZINC001483214865 892742745 /nfs/dbraw/zinc/74/27/45/892742745.db2.gz SIVRHASWXYYYIU-BQBZGAKWSA-N 0 3 283.288 -1.034 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CC(C)(C)O ZINC001483223253 892742934 /nfs/dbraw/zinc/74/29/34/892742934.db2.gz ARPBPDGGZQZQNW-ZETCQYMHSA-N 0 3 274.321 -1.563 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001483225629 892743131 /nfs/dbraw/zinc/74/31/31/892743131.db2.gz MTKNBDYXKZJTPN-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)CC(N)=O ZINC001483215449 892743305 /nfs/dbraw/zinc/74/33/05/892743305.db2.gz LSLGVLVGWDVYFR-QMMMGPOBSA-N 0 3 270.333 -1.423 20 0 CAADHN Cc1c(C(=O)N[C@@H](C)CN[C@H]2CCNC2=O)nnn1C ZINC001483217276 892743341 /nfs/dbraw/zinc/74/33/41/892743341.db2.gz OUBDBZCXZLOOGA-CBAPKCEASA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)CCn1cncn1 ZINC001483211050 892743542 /nfs/dbraw/zinc/74/35/42/892743542.db2.gz VUSTWWORYDOGBS-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@H](CC(=O)N[C@@H](C)CNCC(N)=O)NC(N)=O ZINC001483227219 892743560 /nfs/dbraw/zinc/74/35/60/892743560.db2.gz XKTILZGDFURAMJ-RQJHMYQMSA-N 0 3 259.310 -1.987 20 0 CAADHN COC[C@H](C)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001483214824 892743756 /nfs/dbraw/zinc/74/37/56/892743756.db2.gz RCTQXLNOYDLTQI-YUMQZZPRSA-N 0 3 274.321 -1.442 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CN[C@H](C)C(=O)N(C)C ZINC001483211336 892743947 /nfs/dbraw/zinc/74/39/47/892743947.db2.gz IKOABYGZARORDX-DTWKUNHWSA-N 0 3 288.348 -1.087 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001483232455 892744055 /nfs/dbraw/zinc/74/40/55/892744055.db2.gz DISCWMQZYODHET-JGVFFNPUSA-N 0 3 256.306 -1.956 20 0 CAADHN COC[C@@H](C)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001483214819 892744073 /nfs/dbraw/zinc/74/40/73/892744073.db2.gz RCTQXLNOYDLTQI-SFYZADRCSA-N 0 3 274.321 -1.442 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)c1cnnn1C)C(N)=O ZINC001483223971 892744221 /nfs/dbraw/zinc/74/42/21/892744221.db2.gz CNQAVGZOYLPUJB-YUMQZZPRSA-N 0 3 268.321 -1.213 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1COCCO1 ZINC001483209831 892744340 /nfs/dbraw/zinc/74/43/40/892744340.db2.gz ODDUBSLAOANEBA-ONGXEEELSA-N 0 3 285.344 -1.225 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001483222139 892744372 /nfs/dbraw/zinc/74/43/72/892744372.db2.gz OLGNLVDXBMAANB-FXQIFTODSA-N 0 3 273.337 -1.599 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCCOC1 ZINC001483212993 892744477 /nfs/dbraw/zinc/74/44/77/892744477.db2.gz IKTAETSVJMFOIB-IUCAKERBSA-N 0 3 286.332 -1.298 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)[C@H]2CCC(=O)N2)n[nH]1 ZINC001483214395 892744592 /nfs/dbraw/zinc/74/45/92/892744592.db2.gz LEWOMTOUUVLXBA-IONNQARKSA-N 0 3 280.332 -1.014 20 0 CAADHN Cc1ccnc(C(=O)N[C@@H](C)CNCC(N)=O)n1 ZINC001483223545 892744639 /nfs/dbraw/zinc/74/46/39/892744639.db2.gz MWZGOVYWPCENGZ-QMMMGPOBSA-N 0 3 251.290 -1.022 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@]12C[C@H]1COC2 ZINC001483228544 892744706 /nfs/dbraw/zinc/74/47/06/892744706.db2.gz SGGROKINGVZZKY-RVBZMBCESA-N 0 3 295.343 -1.261 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)CC(N)=O ZINC001483214978 892745008 /nfs/dbraw/zinc/74/50/08/892745008.db2.gz CPBXBYLMRVGAJB-LURJTMIESA-N 0 3 270.293 -2.422 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001483222462 892745028 /nfs/dbraw/zinc/74/50/28/892745028.db2.gz XUWAMISBIHQIAI-RNJXMRFFSA-N 0 3 273.337 -1.728 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CN[C@@H]1CCCNC1=O ZINC001483210089 892745050 /nfs/dbraw/zinc/74/50/50/892745050.db2.gz OXFQQSRLPYVBEP-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNCCS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001483228581 892745170 /nfs/dbraw/zinc/74/51/70/892745170.db2.gz KMFXKNXCGJEUFJ-QMMMGPOBSA-N 0 3 290.349 -2.188 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCCOC1 ZINC001483212992 892745349 /nfs/dbraw/zinc/74/53/49/892745349.db2.gz IKTAETSVJMFOIB-DTWKUNHWSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001483214871 892745428 /nfs/dbraw/zinc/74/54/28/892745428.db2.gz SKLFPSOVYAFJCH-XLPZGREQSA-N 0 3 256.306 -1.767 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001483237138 892746718 /nfs/dbraw/zinc/74/67/18/892746718.db2.gz JAUWRAYVAIJCBP-QMMMGPOBSA-N 0 3 272.349 -1.272 20 0 CAADHN C[C@H](C(=O)N[C@@H](C)CNCC(=O)N(C)C)S(C)(=O)=O ZINC001483241375 892747087 /nfs/dbraw/zinc/74/70/87/892747087.db2.gz VGMGOESPLGPZQD-DTWKUNHWSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@@H](CNCc1ccnn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001483260467 892747169 /nfs/dbraw/zinc/74/71/69/892747169.db2.gz FJRZVNOLTRKNMM-WPRPVWTQSA-N 0 3 280.332 -1.304 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001483245721 892747198 /nfs/dbraw/zinc/74/71/98/892747198.db2.gz WRIAOOPMNSDGKJ-QMMMGPOBSA-N 0 3 297.315 -2.211 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001483251410 892747454 /nfs/dbraw/zinc/74/74/54/892747454.db2.gz ZHAUDEHAXMZRIE-CBAPKCEASA-N 0 3 294.315 -2.055 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001483252621 892747497 /nfs/dbraw/zinc/74/74/97/892747497.db2.gz WGUHRQHRGOYKJM-CABZTGNLSA-N 0 3 297.359 -1.052 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1coc(C(N)=O)c1 ZINC001483251455 892747521 /nfs/dbraw/zinc/74/75/21/892747521.db2.gz ARQWZZHALJJUHX-CBAPKCEASA-N 0 3 294.311 -1.025 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001483257478 892747551 /nfs/dbraw/zinc/74/75/51/892747551.db2.gz IJOOROJMFHAFBO-RXKWGBCNSA-N 0 3 255.318 -1.153 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cnc2c(c1)nnn2C ZINC001483248878 892747589 /nfs/dbraw/zinc/74/75/89/892747589.db2.gz BZSGRUVDBYEMSE-ZETCQYMHSA-N 0 3 291.315 -1.444 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCN1C(=O)CCC1=O)C(N)=O ZINC001483246024 892747686 /nfs/dbraw/zinc/74/76/86/892747686.db2.gz AWVJEBLBXSWVOH-DTWKUNHWSA-N 0 3 298.343 -1.506 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001483245937 892747796 /nfs/dbraw/zinc/74/77/96/892747796.db2.gz AVZHOXRXBJEJOU-DTWKUNHWSA-N 0 3 270.333 -1.375 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001483232548 892747865 /nfs/dbraw/zinc/74/78/65/892747865.db2.gz GAQZHUJKNNQXIB-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cn[nH]c(=O)c1 ZINC001483237701 892747893 /nfs/dbraw/zinc/74/78/93/892747893.db2.gz LLBAQADUCRKNPE-LURJTMIESA-N 0 3 253.262 -1.625 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1nnn(C)n1 ZINC001483257863 892748094 /nfs/dbraw/zinc/74/80/94/892748094.db2.gz VFOXIAVSUNTEAL-LURJTMIESA-N 0 3 295.307 -2.460 20 0 CAADHN C[C@@H](CNCCF)NC(=O)Cn1ncn(C)c1=O ZINC001483242499 892748137 /nfs/dbraw/zinc/74/81/37/892748137.db2.gz LOLHJXJLOMJNMD-QMMMGPOBSA-N 0 3 259.285 -1.354 20 0 CAADHN C[C@@H](CNCCS(C)(=O)=O)NC(=O)[C@H]1CCNC1=O ZINC001483254999 892748149 /nfs/dbraw/zinc/74/81/49/892748149.db2.gz LFLYEQOLNKKZPL-IUCAKERBSA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCC(=O)N1C ZINC001483258620 892748246 /nfs/dbraw/zinc/74/82/46/892748246.db2.gz RXNXAFAIGGHCTN-VHSXEESVSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CCN1C(=O)CCC1=O ZINC001483246025 892748323 /nfs/dbraw/zinc/74/83/23/892748323.db2.gz AWVJEBLBXSWVOH-IUCAKERBSA-N 0 3 298.343 -1.506 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cncn1C ZINC001483245361 892748493 /nfs/dbraw/zinc/74/84/93/892748493.db2.gz PPOGRFBNUNESLE-QMMMGPOBSA-N 0 3 293.331 -1.250 20 0 CAADHN Cc1nn[nH]c1C(=O)N[C@@H](C)CNCCS(C)(=O)=O ZINC001483256098 892748531 /nfs/dbraw/zinc/74/85/31/892748531.db2.gz VCIPUWWMPSKXBB-ZETCQYMHSA-N 0 3 289.361 -1.134 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)c1nnn(C)n1 ZINC001483257923 892748662 /nfs/dbraw/zinc/74/86/62/892748662.db2.gz WFTNYXDAKFKWMD-QMMMGPOBSA-N 0 3 295.347 -1.556 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CCS(C)(=O)=O ZINC001483241374 892748754 /nfs/dbraw/zinc/74/87/54/892748754.db2.gz VFDHLYDFWLGLNL-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCNC1=O ZINC001483255511 892748897 /nfs/dbraw/zinc/74/88/97/892748897.db2.gz RQFXXTAXJPXTRM-YUMQZZPRSA-N 0 3 296.331 -2.161 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cn(C)nc1OC ZINC001483256079 892749081 /nfs/dbraw/zinc/74/90/81/892749081.db2.gz VCELZUWDJAKXQP-QMMMGPOBSA-N 0 3 283.332 -1.117 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CN1CCCNC1=O)C(N)=O ZINC001483244626 892749163 /nfs/dbraw/zinc/74/91/63/892749163.db2.gz WAJSMPOPJWFKNP-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001483254446 892749202 /nfs/dbraw/zinc/74/92/02/892749202.db2.gz DCFUOCUWRYSVJL-DTWKUNHWSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCCNC1=O ZINC001483238151 892749223 /nfs/dbraw/zinc/74/92/23/892749223.db2.gz ZLQYMDLMKVPACJ-JGVFFNPUSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)C[C@H]1CCNC1=O ZINC001483234375 892749241 /nfs/dbraw/zinc/74/92/41/892749241.db2.gz QORSRTMVUDAQGJ-VHSXEESVSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)c1cnn(C)n1 ZINC001483275326 892750742 /nfs/dbraw/zinc/75/07/42/892750742.db2.gz KVDYPCDCPHPZQH-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)CNCC(N)=O ZINC001483269856 892750821 /nfs/dbraw/zinc/75/08/21/892750821.db2.gz AGIHROFHYYMBFK-NKWVEPMBSA-N 0 3 280.350 -2.496 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1cnn(C)n1 ZINC001483274966 892750837 /nfs/dbraw/zinc/75/08/37/892750837.db2.gz DNPWEVNRQWMNDC-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN COCCCNC(=O)[C@H](C)NC[C@H](C)NC(=O)C(N)=O ZINC001483261971 892750927 /nfs/dbraw/zinc/75/09/27/892750927.db2.gz DQPRHURXJDZVLR-IUCAKERBSA-N 0 3 288.348 -1.893 20 0 CAADHN C[C@@H](C[NH2+][C@H]1CCN(C)C1=O)NC(=O)Cc1nnc[n-]1 ZINC001483283915 892751013 /nfs/dbraw/zinc/75/10/13/892751013.db2.gz UFNDUJWAWFIXQB-IUCAKERBSA-N 0 3 280.332 -1.328 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001483283333 892751071 /nfs/dbraw/zinc/75/10/71/892751071.db2.gz OTTOEIGCKHXZHB-QMMMGPOBSA-N 0 3 299.331 -2.279 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)CCNC(N)=O ZINC001483290874 892751142 /nfs/dbraw/zinc/75/11/42/892751142.db2.gz QQORYAVUGYRUSL-QMMMGPOBSA-N 0 3 285.348 -1.582 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CCC(=O)N1 ZINC001483273989 892751209 /nfs/dbraw/zinc/75/12/09/892751209.db2.gz IOESMXXXLFDCOK-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)Cc1nnc[n-]1 ZINC001483282799 892751509 /nfs/dbraw/zinc/75/15/09/892751509.db2.gz AGHXVKNIUCJLHF-JGVFFNPUSA-N 0 3 294.315 -1.753 20 0 CAADHN CCn1nc(C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O)ccc1=O ZINC001483276444 892752143 /nfs/dbraw/zinc/75/21/43/892752143.db2.gz OITRFKGIXBXEDS-IUCAKERBSA-N 0 3 295.343 -1.155 20 0 CAADHN C[C@@H](CNCc1cn(C)nn1)NC(=O)Cc1nnc[nH]1 ZINC001483283874 892752127 /nfs/dbraw/zinc/75/21/27/892752127.db2.gz RSAWFMVRTZVIBN-QMMMGPOBSA-N 0 3 278.320 -1.230 20 0 CAADHN CCn1nc(C(=O)N[C@@H](C)CN[C@H](C)C(N)=O)ccc1=O ZINC001483276442 892752321 /nfs/dbraw/zinc/75/23/21/892752321.db2.gz OITRFKGIXBXEDS-DTWKUNHWSA-N 0 3 295.343 -1.155 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@@H](C)CNCCF)C(N)=O ZINC001483272182 892752419 /nfs/dbraw/zinc/75/24/19/892752419.db2.gz NMWOXSQCPVASBQ-CBAPKCEASA-N 0 3 276.312 -1.570 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cccc(=O)n1C ZINC001483265840 892752441 /nfs/dbraw/zinc/75/24/41/892752441.db2.gz SEZOFEQFODEDQA-VHSXEESVSA-N 0 3 292.339 -1.018 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001483265981 892752567 /nfs/dbraw/zinc/75/25/67/892752567.db2.gz AUWONYHHZLDFTC-ZETCQYMHSA-N 0 3 281.316 -1.433 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CN1CCC(=O)NC1=O ZINC001483282239 892752670 /nfs/dbraw/zinc/75/26/70/892752670.db2.gz SZVKXVXXYTVVNT-ZETCQYMHSA-N 0 3 285.304 -2.492 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCN1CCOCC1 ZINC001483274958 892753226 /nfs/dbraw/zinc/75/32/26/892753226.db2.gz RKZVXKFURKCOPB-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN CC(=O)N[C@@H](C)CN(C)C[C@H](O)CN1C(=O)CCC1=O ZINC001483303352 892754333 /nfs/dbraw/zinc/75/43/33/892754333.db2.gz OHMJSOINONLMOI-ONGXEEELSA-N 0 3 285.344 -1.047 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001483300145 892754527 /nfs/dbraw/zinc/75/45/27/892754527.db2.gz NIYPCHRJXLROPU-GUBZILKMSA-N 0 3 297.359 -1.488 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001483297370 892754552 /nfs/dbraw/zinc/75/45/52/892754552.db2.gz UVHRTCOTWJBTBF-VHSXEESVSA-N 0 3 294.359 -1.319 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001483295668 892754903 /nfs/dbraw/zinc/75/49/03/892754903.db2.gz QABBVLKTORSPIE-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN CC(=O)N[C@H](C)CN(C)C[C@H](O)CN1C(=O)CCC1=O ZINC001483303350 892756113 /nfs/dbraw/zinc/75/61/13/892756113.db2.gz OHMJSOINONLMOI-KOLCDFICSA-N 0 3 285.344 -1.047 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)COC[C@H]1CCCO1 ZINC001483300443 892756312 /nfs/dbraw/zinc/75/63/12/892756312.db2.gz QOMMZCWWEPICRE-VHSXEESVSA-N 0 3 273.333 -1.238 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)COC[C@@H]1CCCO1 ZINC001483300442 892756906 /nfs/dbraw/zinc/75/69/06/892756906.db2.gz QOMMZCWWEPICRE-UWVGGRQHSA-N 0 3 273.333 -1.238 20 0 CAADHN C[C@H](CN(C)CC(N)=O)NC(=O)C1=NC(=O)N(C)C1 ZINC001483381114 892758896 /nfs/dbraw/zinc/75/88/96/892758896.db2.gz UALCAQFQNGOXIR-SSDOTTSWSA-N 0 3 269.305 -1.339 20 0 CAADHN CNC(=O)NC(=O)CN(C)C[C@H](C)NC(=O)c1nc[nH]n1 ZINC001483398220 892759635 /nfs/dbraw/zinc/75/96/35/892759635.db2.gz QQMRAOHIOLURBD-ZETCQYMHSA-N 0 3 297.319 -1.690 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001483383029 892760858 /nfs/dbraw/zinc/76/08/58/892760858.db2.gz DORVOBMSWBFJMX-MXWKQRLJSA-N 0 3 294.359 -1.164 20 0 CAADHN CCC[C@H](C(=O)N[C@@H](C)CN(C)CCO)S(N)(=O)=O ZINC001483366980 892760962 /nfs/dbraw/zinc/76/09/62/892760962.db2.gz AFOIZZPKRHUOMC-VHSXEESVSA-N 0 3 295.405 -1.128 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@H]1CCN(C)C1=O ZINC001483373664 892761462 /nfs/dbraw/zinc/76/14/62/892761462.db2.gz DKNQWNBOUQCUNN-VHSXEESVSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CN1CCN(C)C(=O)C1 ZINC001483357919 892761656 /nfs/dbraw/zinc/76/16/56/892761656.db2.gz UPPSBMOBIXQQJH-LLVKDONJSA-N 0 3 286.376 -1.811 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001483542260 892767437 /nfs/dbraw/zinc/76/74/37/892767437.db2.gz XVUNWPIAZMPUEG-WDEREUQCSA-N 0 3 282.344 -1.505 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)CN1CCCC1=O)C1CC1)C(N)=O ZINC001483543549 892767683 /nfs/dbraw/zinc/76/76/83/892767683.db2.gz UVMHFHKHDJODQX-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001483600167 892769270 /nfs/dbraw/zinc/76/92/70/892769270.db2.gz FNJYWILYMJSOKF-VHSXEESVSA-N 0 3 282.344 -1.505 20 0 CAADHN C[C@@H](CC(=O)N[C@@H](CNCC(N)=O)C1CC1)NC(N)=O ZINC001483561027 892769305 /nfs/dbraw/zinc/76/93/05/892769305.db2.gz JZSJYQYFIRSTBN-CBAPKCEASA-N 0 3 285.348 -1.597 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1CC1)C(N)=O ZINC001483582591 892769361 /nfs/dbraw/zinc/76/93/61/892769361.db2.gz DKPOYAOBEULLNX-VXNVDRBHSA-N 0 3 293.327 -1.258 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001483564729 892769384 /nfs/dbraw/zinc/76/93/84/892769384.db2.gz QYOMMCNVRJLPQZ-KWBADKCTSA-N 0 3 267.329 -1.007 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)C(N)=O)C1CC1)C(=O)NC1CC1 ZINC001483586523 892769512 /nfs/dbraw/zinc/76/95/12/892769512.db2.gz RNAPAITYSMFZEA-XCBNKYQSSA-N 0 3 282.344 -1.377 20 0 CAADHN CCN(C(=O)CNC[C@H](NC(=O)C(N)=O)C1CC1)C1CC1 ZINC001483585077 892769874 /nfs/dbraw/zinc/76/98/74/892769874.db2.gz BVNORQOCYVOEEY-NSHDSACASA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001483558462 892769915 /nfs/dbraw/zinc/76/99/15/892769915.db2.gz PCQBZBNQQKPVJA-PSASIEDQSA-N 0 3 299.375 -1.336 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001483579776 892770361 /nfs/dbraw/zinc/77/03/61/892770361.db2.gz MHVKXSYKSJAJLZ-NXEZZACHSA-N 0 3 297.359 -1.760 20 0 CAADHN C[C@@]1(C(=O)N[C@H](CNCC(N)=O)C2CC2)CCC(=O)N1 ZINC001483584868 892770405 /nfs/dbraw/zinc/77/04/05/892770405.db2.gz FJUYIKOVSGOJJA-RNCFNFMXSA-N 0 3 282.344 -1.375 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)c1cn(C)c(=O)[nH]1)C1CC1 ZINC001483584966 892770555 /nfs/dbraw/zinc/77/05/55/892770555.db2.gz BEZJENFFXGILKJ-SECBINFHSA-N 0 3 295.343 -1.030 20 0 CAADHN C[C@@]1(C(=O)N[C@@H](CNCC(N)=O)C2CC2)CCC(=O)N1 ZINC001483584869 892770571 /nfs/dbraw/zinc/77/05/71/892770571.db2.gz FJUYIKOVSGOJJA-ZANVPECISA-N 0 3 282.344 -1.375 20 0 CAADHN NC(=O)C(=O)N[C@@H](CN[C@H]1CCCNC1=O)C1CC1 ZINC001483584038 892770590 /nfs/dbraw/zinc/77/05/90/892770590.db2.gz SPSHIAQXNYNBNJ-IUCAKERBSA-N 0 3 268.317 -1.765 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC1 ZINC001483596041 892770987 /nfs/dbraw/zinc/77/09/87/892770987.db2.gz UCQSRFDWCDREDE-VIFPVBQESA-N 0 3 282.344 -1.518 20 0 CAADHN Cc1nc(CNC[C@@H](NC(=O)CC(N)=O)C2CC2)n[nH]1 ZINC001483548038 892771114 /nfs/dbraw/zinc/77/11/14/892771114.db2.gz JYRGCZBQZTYXKI-SECBINFHSA-N 0 3 280.332 -1.027 20 0 CAADHN Cn1nc(C(=O)N[C@H](CNCC(N)=O)C2CC2)ccc1=O ZINC001483604361 892772781 /nfs/dbraw/zinc/77/27/81/892772781.db2.gz PDRHPMTVOAOBNV-SNVBAGLBSA-N 0 3 293.327 -1.636 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)Cn1cncn1)C1CC1 ZINC001483604586 892774781 /nfs/dbraw/zinc/77/47/81/892774781.db2.gz TZNWEWBFWPRCFG-SECBINFHSA-N 0 3 266.305 -1.752 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001483604279 892774908 /nfs/dbraw/zinc/77/49/08/892774908.db2.gz NPZUZUGOWJYLCZ-WPRPVWTQSA-N 0 3 299.375 -1.336 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](CNCCF)C1CC1 ZINC001483607315 892775233 /nfs/dbraw/zinc/77/52/33/892775233.db2.gz NNHAXJIKEMBEQG-SECBINFHSA-N 0 3 281.353 -1.011 20 0 CAADHN COCCCN1CC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001483661381 892777371 /nfs/dbraw/zinc/77/73/71/892777371.db2.gz JOOYHYWHOKLOLV-NSHDSACASA-N 0 3 297.359 -1.191 20 0 CAADHN COC[C@@H](O)CN1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001483687112 892780560 /nfs/dbraw/zinc/78/05/60/892780560.db2.gz ATXLVOLPAYFKHR-IUCAKERBSA-N 0 3 269.305 -1.384 20 0 CAADHN COC[C@@H](O)CN1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001483687112 892780568 /nfs/dbraw/zinc/78/05/68/892780568.db2.gz ATXLVOLPAYFKHR-IUCAKERBSA-N 0 3 269.305 -1.384 20 0 CAADHN COC[C@H](O)CN1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001483687113 892781701 /nfs/dbraw/zinc/78/17/01/892781701.db2.gz ATXLVOLPAYFKHR-RKDXNWHRSA-N 0 3 269.305 -1.384 20 0 CAADHN COC[C@H](O)CN1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001483687113 892781705 /nfs/dbraw/zinc/78/17/05/892781705.db2.gz ATXLVOLPAYFKHR-RKDXNWHRSA-N 0 3 269.305 -1.384 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@@H]1CCN1CC(N)=O ZINC001483696193 892781872 /nfs/dbraw/zinc/78/18/72/892781872.db2.gz HPILBBCHJYWNSN-VIFPVBQESA-N 0 3 265.317 -1.064 20 0 CAADHN CN1CC(C(=O)NC[C@@H]2CCN2CCOCCO)=NC1=O ZINC001483677388 892783072 /nfs/dbraw/zinc/78/30/72/892783072.db2.gz PKUAJAUCFQRSPJ-JTQLQIEISA-N 0 3 298.343 -1.061 20 0 CAADHN CC[C@@H](NC1(CNC(=O)C2CN(C(C)=O)C2)CC1)C(N)=O ZINC001483729474 892785587 /nfs/dbraw/zinc/78/55/87/892785587.db2.gz WMSZEZOVGIGNMZ-LLVKDONJSA-N 0 3 296.371 -1.033 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001483725140 892786089 /nfs/dbraw/zinc/78/60/89/892786089.db2.gz SWNNXXRQZFSDAY-NSHDSACASA-N 0 3 298.387 -1.356 20 0 CAADHN COCCN1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001484030430 892795865 /nfs/dbraw/zinc/79/58/65/892795865.db2.gz SKXJIWZSSAKQQA-LLVKDONJSA-N 0 3 268.321 -1.100 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001483933269 892795930 /nfs/dbraw/zinc/79/59/30/892795930.db2.gz YIEOABOZWIDUIJ-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN C[C@]1(NC(=O)Cn2cnc(C(N)=O)n2)CCN(CCO)C1 ZINC001484045279 892796075 /nfs/dbraw/zinc/79/60/75/892796075.db2.gz PDZTVIYQPPOALJ-LBPRGKRZSA-N 0 3 296.331 -2.050 20 0 CAADHN CS(=O)(=O)CCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001483934112 892796141 /nfs/dbraw/zinc/79/61/41/892796141.db2.gz GBMFPHYSYAZJQJ-VIFPVBQESA-N 0 3 291.373 -1.513 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCCO1 ZINC001483919173 892796832 /nfs/dbraw/zinc/79/68/32/892796832.db2.gz CYSQTJBJCCWLOD-VHSXEESVSA-N 0 3 298.343 -1.059 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001483942271 892797229 /nfs/dbraw/zinc/79/72/29/892797229.db2.gz HPZMUPIZMGVHPR-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(CCOCCO)C1 ZINC001484038916 892797387 /nfs/dbraw/zinc/79/73/87/892797387.db2.gz XZECEGVOWIZYGK-BXUZGUMPSA-N 0 3 299.371 -1.146 20 0 CAADHN CN1C[C@H](C(=O)N2CCC[C@H]2CNCC(N)=O)CC1=O ZINC001483932887 892797713 /nfs/dbraw/zinc/79/77/13/892797713.db2.gz SWUJCPGJOSVJAF-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001483941616 892797731 /nfs/dbraw/zinc/79/77/31/892797731.db2.gz ZVGIWZROEUPXMW-VIFPVBQESA-N 0 3 295.347 -1.460 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001484065330 892798870 /nfs/dbraw/zinc/79/88/70/892798870.db2.gz UNROYIKWGRBAHW-PRHODGIISA-N 0 3 280.332 -1.198 20 0 CAADHN COC[C@@H](O)CN1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001484059731 892799472 /nfs/dbraw/zinc/79/94/72/892799472.db2.gz YDWYNULWWLWSHR-KWQFWETISA-N 0 3 259.306 -1.940 20 0 CAADHN Cn1cnn(CC(=O)N[C@@]2(C)CCN(CCO)C2)c1=O ZINC001484050097 892800090 /nfs/dbraw/zinc/80/00/90/892800090.db2.gz RPGOYWUACHMZAD-LBPRGKRZSA-N 0 3 283.332 -1.845 20 0 CAADHN C[C@]1(NC(=O)CN2CCC(=O)NC2=O)CCN(CCO)C1 ZINC001484065006 892801451 /nfs/dbraw/zinc/80/14/51/892801451.db2.gz QSYZPKXWFKMCNW-ZDUSSCGKSA-N 0 3 298.343 -1.499 20 0 CAADHN COC[C@H](O)CN1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001484059732 892801538 /nfs/dbraw/zinc/80/15/38/892801538.db2.gz YDWYNULWWLWSHR-LDYMZIIASA-N 0 3 259.306 -1.940 20 0 CAADHN C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(CCOCCO)C1 ZINC001484057040 892801973 /nfs/dbraw/zinc/80/19/73/892801973.db2.gz GNOIBPHAJPCKFD-UHIISALHSA-N 0 3 299.371 -1.303 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)CCn2cncn2)C1 ZINC001484202518 892803816 /nfs/dbraw/zinc/80/38/16/892803816.db2.gz AUDARLHXZWERBO-CYBMUJFWSA-N 0 3 297.359 -1.132 20 0 CAADHN COCCCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001484204613 892805957 /nfs/dbraw/zinc/80/59/57/892805957.db2.gz AFIRVRNIZFSBDD-GFCCVEGCSA-N 0 3 260.334 -1.042 20 0 CAADHN NC(=O)C(=O)NC[C@@H]1CN(CCCO)CCC1(F)F ZINC001484198026 892807766 /nfs/dbraw/zinc/80/77/66/892807766.db2.gz FCDMQLZJSSMUPU-MRVPVSSYSA-N 0 3 279.287 -1.073 20 0 CAADHN C[C@H](C(=O)NC[C@@]1(O)CCN(CCO)C1)n1cncn1 ZINC001484213285 892812171 /nfs/dbraw/zinc/81/21/71/892812171.db2.gz HPHHYPNWXHFKHM-PWSUYJOCSA-N 0 3 283.332 -1.616 20 0 CAADHN O=C(C[C@@H]1CCCC(=O)N1)NC[C@@]1(O)CCN(CCO)C1 ZINC001484227162 892812634 /nfs/dbraw/zinc/81/26/34/892812634.db2.gz BNBYTEJZXPNXGW-FZMZJTMJSA-N 0 3 299.371 -1.410 20 0 CAADHN C[C@H](C(=O)NC[C@]1(O)CCN(CCO)C1)n1cncn1 ZINC001484213286 892813256 /nfs/dbraw/zinc/81/32/56/892813256.db2.gz HPHHYPNWXHFKHM-ZYHUDNBSSA-N 0 3 283.332 -1.616 20 0 CAADHN Cc1ccnc(C(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001484216068 892815094 /nfs/dbraw/zinc/81/50/94/892815094.db2.gz JXEDAIOMKVWBLI-ZDUSSCGKSA-N 0 3 280.328 -1.056 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001484226021 892815542 /nfs/dbraw/zinc/81/55/42/892815542.db2.gz PQVAUWMOTPHJDS-RISCZKNCSA-N 0 3 299.371 -1.146 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001484228315 892816714 /nfs/dbraw/zinc/81/67/14/892816714.db2.gz FTDGHONCRXGAML-JOYOIKCWSA-N 0 3 273.333 -1.957 20 0 CAADHN O=C(CN1CCCCC1=O)NC[C@]1(O)CCN(CCO)C1 ZINC001484225421 892817699 /nfs/dbraw/zinc/81/76/99/892817699.db2.gz NMYQAFPEOMLIJR-CQSZACIVSA-N 0 3 299.371 -1.456 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1ccnnc1 ZINC001484240375 892819673 /nfs/dbraw/zinc/81/96/73/892819673.db2.gz ODUDYYJXHQZLMZ-GFCCVEGCSA-N 0 3 266.301 -1.365 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1ncccn1 ZINC001484244051 892820635 /nfs/dbraw/zinc/82/06/35/892820635.db2.gz AURZLAIMFODUSF-GFCCVEGCSA-N 0 3 266.301 -1.365 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@]2(O)CCN(CCO)C2)CC1 ZINC001484245492 892824310 /nfs/dbraw/zinc/82/43/10/892824310.db2.gz RVWXPRWFUQBMNY-LBPRGKRZSA-N 0 3 285.344 -1.942 20 0 CAADHN CC(C)[C@H](C(=O)NCC1(O)CN(CC(N)=O)C1)N(C)C ZINC001484293123 892844748 /nfs/dbraw/zinc/84/47/48/892844748.db2.gz XAIAWHROCCVIBV-LLVKDONJSA-N 0 3 286.376 -1.779 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(C)=O)C[C@@H]1C ZINC001484877551 892899906 /nfs/dbraw/zinc/89/99/06/892899906.db2.gz FGDAINAFSBTMDX-IONNQARKSA-N 0 3 256.306 -1.102 20 0 CAADHN C[C@H]1CN(C(=O)CCc2nnc[n-]2)C[C@H]1C[NH2+]CC(N)=O ZINC001484366086 892852029 /nfs/dbraw/zinc/85/20/29/892852029.db2.gz LKJYUEFUMJKSQE-VHSXEESVSA-N 0 3 294.359 -1.093 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]2[C@@H]1CCN2CCOCCO ZINC001484463248 892858176 /nfs/dbraw/zinc/85/81/76/892858176.db2.gz PWQUFYKDPANQKS-QWRGUYRKSA-N 0 3 285.344 -1.454 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CCN2CCOCCO ZINC001484463245 892859454 /nfs/dbraw/zinc/85/94/54/892859454.db2.gz PWQUFYKDPANQKS-MNOVXSKESA-N 0 3 285.344 -1.454 20 0 CAADHN O=C(Cn1ncnn1)N[C@]1(CO)CCCN(CCCO)C1 ZINC001484433498 892859709 /nfs/dbraw/zinc/85/97/09/892859709.db2.gz AEDHZICNXFNNTJ-GFCCVEGCSA-N 0 3 298.347 -2.001 20 0 CAADHN C[C@H](O)CN1CCC[C@@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001484426212 892860444 /nfs/dbraw/zinc/86/04/44/892860444.db2.gz JEUQIKXWJRMITF-CMPLNLGQSA-N 0 3 298.347 -2.003 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H](C)OC ZINC001484477798 892861690 /nfs/dbraw/zinc/86/16/90/892861690.db2.gz WCMAWAGVAQKDFE-VIFPVBQESA-N 0 3 261.322 -1.822 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)Cc1ccon1 ZINC001484479674 892861805 /nfs/dbraw/zinc/86/18/05/892861805.db2.gz XPZVRUWEAMALNA-SNVBAGLBSA-N 0 3 298.343 -1.238 20 0 CAADHN Cc1ncsc1C(=O)N(CCO)CCNCC(N)=O ZINC001484475596 892862427 /nfs/dbraw/zinc/86/24/27/892862427.db2.gz BLZNDHUXRJXJIZ-UHFFFAOYSA-N 0 3 286.357 -1.039 20 0 CAADHN O=C(CN1CCCC1=O)N(CCO)CCNCCF ZINC001484475248 892862935 /nfs/dbraw/zinc/86/29/35/892862935.db2.gz OKYBDYVGNDEPNG-UHFFFAOYSA-N 0 3 275.324 -1.011 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCNCC(=O)N(C)C)[nH]n1 ZINC001484477120 892863097 /nfs/dbraw/zinc/86/30/97/892863097.db2.gz GBJGNZNPONESTE-UHFFFAOYSA-N 0 3 297.359 -1.170 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCNCC(=O)N(C)C)n[nH]1 ZINC001484477120 892863115 /nfs/dbraw/zinc/86/31/15/892863115.db2.gz GBJGNZNPONESTE-UHFFFAOYSA-N 0 3 297.359 -1.170 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)[C@H]2CCCO2)C1=O ZINC001484477038 892863160 /nfs/dbraw/zinc/86/31/60/892863160.db2.gz SPEJIOBPVPHWOC-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C(F)F)C(=O)NC(N)=O ZINC001484473794 892863185 /nfs/dbraw/zinc/86/31/85/892863185.db2.gz JHZLHBWMWRWTAR-ZCFIWIBFSA-N 0 3 296.274 -1.755 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1cnsn1 ZINC001484477272 892863319 /nfs/dbraw/zinc/86/33/19/892863319.db2.gz ITFHIHKAWLEBIC-UHFFFAOYSA-N 0 3 273.318 -1.953 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)CN(C)C(C)=O ZINC001484476434 892863339 /nfs/dbraw/zinc/86/33/39/892863339.db2.gz XUWWEIDIWWCGCZ-UHFFFAOYSA-N 0 3 288.348 -2.379 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ccc[nH]1)C(N)=O ZINC001484475249 892863411 /nfs/dbraw/zinc/86/34/11/892863411.db2.gz OLFGQLBTBVJPMG-SECBINFHSA-N 0 3 268.317 -1.087 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)[C@H]2CCCO2)C1=O ZINC001484477040 892863606 /nfs/dbraw/zinc/86/36/06/892863606.db2.gz SPEJIOBPVPHWOC-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(Cn1cccn1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484475367 892863884 /nfs/dbraw/zinc/86/38/84/892863884.db2.gz SLWCVABMGJUISO-LLVKDONJSA-N 0 3 295.343 -1.818 20 0 CAADHN O=C(C[C@@H]1CCCO1)N(CCO)CCN[C@H]1CCNC1=O ZINC001484476561 892864250 /nfs/dbraw/zinc/86/42/50/892864250.db2.gz ZXWNHGKVQZRYDW-RYUDHWBXSA-N 0 3 299.371 -1.146 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)C(F)F)C(N)=O ZINC001484473951 892864366 /nfs/dbraw/zinc/86/43/66/892864366.db2.gz PPNPXINBBRTOIS-SSDOTTSWSA-N 0 3 267.276 -1.074 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1ccc(F)nc1 ZINC001484478319 892864477 /nfs/dbraw/zinc/86/44/77/892864477.db2.gz MPTNHPWNZXARIY-UHFFFAOYSA-N 0 3 284.291 -1.270 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cnccn1)C(N)=O ZINC001484474413 892865061 /nfs/dbraw/zinc/86/50/61/892865061.db2.gz GRJISEFCAPWLDY-JTQLQIEISA-N 0 3 295.343 -1.235 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C1=COCCC1 ZINC001484478202 892865289 /nfs/dbraw/zinc/86/52/89/892865289.db2.gz JMNQJUDASAZIKX-UHFFFAOYSA-N 0 3 271.317 -1.424 20 0 CAADHN CCc1cc(C(=O)N(CCO)CCNCC(N)=O)[nH]n1 ZINC001484476036 892865394 /nfs/dbraw/zinc/86/53/94/892865394.db2.gz PVNPILASDNPKNP-UHFFFAOYSA-N 0 3 283.332 -1.519 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)c1n[nH]cc1C ZINC001484482833 892867128 /nfs/dbraw/zinc/86/71/28/892867128.db2.gz WQATWOUWXVFTSO-UHFFFAOYSA-N 0 3 297.359 -1.122 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)CC(C)(C)O ZINC001484481545 892867670 /nfs/dbraw/zinc/86/76/70/892867670.db2.gz AZZNMGIFARHLJK-SNVBAGLBSA-N 0 3 289.376 -1.308 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)N(CCO)CCNCC(=O)NC(N)=O ZINC001484491102 892867926 /nfs/dbraw/zinc/86/79/26/892867926.db2.gz MXMHIUBWHNCACZ-RKDXNWHRSA-N 0 3 286.332 -1.752 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1COC(=O)N1 ZINC001484481156 892868172 /nfs/dbraw/zinc/86/81/72/892868172.db2.gz FVOZFIJJTCPQQJ-MRVPVSSYSA-N 0 3 288.304 -2.749 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@H](O)C(C)C ZINC001484481675 892868440 /nfs/dbraw/zinc/86/84/40/892868440.db2.gz VASSTMBPAGECDK-WDEREUQCSA-N 0 3 289.376 -1.452 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)CC(C)(C)O ZINC001484481544 892868480 /nfs/dbraw/zinc/86/84/80/892868480.db2.gz AZZNMGIFARHLJK-JTQLQIEISA-N 0 3 289.376 -1.308 20 0 CAADHN Cc1n[nH]cc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001484490016 892868750 /nfs/dbraw/zinc/86/87/50/892868750.db2.gz MXKZTXOMIHVILT-VIFPVBQESA-N 0 3 283.332 -1.384 20 0 CAADHN CN1C[C@H](C(=O)N(CCO)CCNCC(N)=O)NC1=O ZINC001484490808 892869615 /nfs/dbraw/zinc/86/96/15/892869615.db2.gz IQCXURHEWOPDFL-MRVPVSSYSA-N 0 3 287.320 -3.094 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)c2cnco2)C1=O ZINC001484490154 892869672 /nfs/dbraw/zinc/86/96/72/892869672.db2.gz RLZUGZGMDLRISQ-JTQLQIEISA-N 0 3 296.327 -1.071 20 0 CAADHN Cc1n[nH]cc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484490256 892869877 /nfs/dbraw/zinc/86/98/77/892869877.db2.gz VVNMQXVCFCCGAX-LLVKDONJSA-N 0 3 295.343 -1.369 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001484493778 892870869 /nfs/dbraw/zinc/87/08/69/892870869.db2.gz XDIJPQSUYQMSFV-MRVPVSSYSA-N 0 3 286.332 -2.464 20 0 CAADHN Cn1cncc1CC(=O)N(CCO)CCNCC(N)=O ZINC001484498513 892870791 /nfs/dbraw/zinc/87/07/91/892870791.db2.gz NZCTVOQQWLUTLE-UHFFFAOYSA-N 0 3 283.332 -2.142 20 0 CAADHN C[C@@]1(C(=O)N(CCO)CCNCC(N)=O)CCOC1 ZINC001484496308 892870959 /nfs/dbraw/zinc/87/09/59/892870959.db2.gz DOLDNOXNUZPWIF-GFCCVEGCSA-N 0 3 273.333 -1.691 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)Cn1cncn1 ZINC001484500875 892871243 /nfs/dbraw/zinc/87/12/43/892871243.db2.gz XFOHOIKMBYEVCC-UHFFFAOYSA-N 0 3 298.347 -2.223 20 0 CAADHN O=C(Cc1cnc[nH]1)N(CCO)CCN[C@H]1CCNC1=O ZINC001484495519 892871333 /nfs/dbraw/zinc/87/13/33/892871333.db2.gz OOJCZZRAKXECIL-NSHDSACASA-N 0 3 295.343 -1.749 20 0 CAADHN NC(=O)C(=O)N(CCO)CCNCCC(F)(F)F ZINC001484493119 892871602 /nfs/dbraw/zinc/87/16/02/892871602.db2.gz PARHVTVAKAVSTB-UHFFFAOYSA-N 0 3 271.239 -1.165 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C[C@H]1CCC(=O)N1 ZINC001484495870 892871878 /nfs/dbraw/zinc/87/18/78/892871878.db2.gz IHBXEIQROGFXNF-SECBINFHSA-N 0 3 286.332 -2.449 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1nc[nH]n1 ZINC001484497739 892872233 /nfs/dbraw/zinc/87/22/33/892872233.db2.gz WHIOMVFACNSQTE-UHFFFAOYSA-N 0 3 284.320 -2.083 20 0 CAADHN Cc1cnoc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001484495939 892872495 /nfs/dbraw/zinc/87/24/95/892872495.db2.gz BOQDPZUDIACXKQ-SECBINFHSA-N 0 3 284.316 -1.119 20 0 CAADHN CCc1oncc1C(=O)N(CCO)CCNCC(N)=O ZINC001484496756 892873150 /nfs/dbraw/zinc/87/31/50/892873150.db2.gz ZVLGKVBROMOKSQ-UHFFFAOYSA-N 0 3 284.316 -1.254 20 0 CAADHN O=C(CNCCN(CCO)C(=O)c1nc[nH]n1)N1CCC1 ZINC001484496783 892873619 /nfs/dbraw/zinc/87/36/19/892873619.db2.gz JJJDLEPTHJSJLZ-UHFFFAOYSA-N 0 3 296.331 -1.939 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)CCOC)CCO1 ZINC001484665275 892878141 /nfs/dbraw/zinc/87/81/41/892878141.db2.gz DPABCSRQPXKIOJ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001484669324 892878364 /nfs/dbraw/zinc/87/83/64/892878364.db2.gz TXUCDXFDNJINLC-MRVPVSSYSA-N 0 3 299.356 -1.285 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)CCNC(N)=O)CCC1 ZINC001484661584 892878738 /nfs/dbraw/zinc/87/87/38/892878738.db2.gz YFMQUJNUFWNGQS-UHFFFAOYSA-N 0 3 299.375 -1.239 20 0 CAADHN Cn1nccc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484669128 892878818 /nfs/dbraw/zinc/87/88/18/892878818.db2.gz QGFAKHFBGJRIOA-VIFPVBQESA-N 0 3 281.316 -1.664 20 0 CAADHN COCCC(=O)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001484666252 892879000 /nfs/dbraw/zinc/87/90/00/892879000.db2.gz ZBUICBAGVQMJKO-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CC(=O)N1CCO[C@H](CNCCNS(C)(=O)=O)C1 ZINC001484665509 892879027 /nfs/dbraw/zinc/87/90/27/892879027.db2.gz KAWQSOXFTRQFTG-SNVBAGLBSA-N 0 3 279.362 -1.628 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484667293 892879289 /nfs/dbraw/zinc/87/92/89/892879289.db2.gz LZZRSMRKWGCGTC-WPRPVWTQSA-N 0 3 286.332 -2.187 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)C(N)=O ZINC001484617899 892879516 /nfs/dbraw/zinc/87/95/16/892879516.db2.gz UFSYUZMLDAMBPO-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)c1nc[n-]n1 ZINC001484618751 892879602 /nfs/dbraw/zinc/87/96/02/892879602.db2.gz VNZNZAFKFDUXPP-MRVPVSSYSA-N 0 3 266.305 -1.126 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CCC1 ZINC001484645636 892879807 /nfs/dbraw/zinc/87/98/07/892879807.db2.gz RZGGFOIEUGSOFN-VIFPVBQESA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CN(C)C(C)=O)CCC1 ZINC001484625629 892880052 /nfs/dbraw/zinc/88/00/52/892880052.db2.gz JEFNYGNBNCGIQF-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN Cc1ncncc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484669310 892880244 /nfs/dbraw/zinc/88/02/44/892880244.db2.gz SZDHUMZSEHMVOP-JTQLQIEISA-N 0 3 293.327 -1.299 20 0 CAADHN CC(C)OCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484667245 892880521 /nfs/dbraw/zinc/88/05/21/892880521.db2.gz BPVRCADQNWPZOY-JTQLQIEISA-N 0 3 273.333 -1.286 20 0 CAADHN COCCC(=O)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001484666251 892880748 /nfs/dbraw/zinc/88/07/48/892880748.db2.gz ZBUICBAGVQMJKO-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484667291 892880980 /nfs/dbraw/zinc/88/09/80/892880980.db2.gz LZZRSMRKWGCGTC-WCBMZHEXSA-N 0 3 286.332 -2.187 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CS(C)(=O)=O)CCC1 ZINC001484627389 892881355 /nfs/dbraw/zinc/88/13/55/892881355.db2.gz QGVFBSLPTRLMOW-UHFFFAOYSA-N 0 3 291.373 -1.595 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484667290 892881436 /nfs/dbraw/zinc/88/14/36/892881436.db2.gz LZZRSMRKWGCGTC-SCZZXKLOSA-N 0 3 286.332 -2.187 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CCn2cnnn2)CCC1 ZINC001484656647 892881756 /nfs/dbraw/zinc/88/17/56/892881756.db2.gz QWTFDVIOUZVZIB-UHFFFAOYSA-N 0 3 295.347 -1.562 20 0 CAADHN CN1C[C@H](C(=O)NCC2(NCC(N)=O)CCC2)NC1=O ZINC001484645246 892881992 /nfs/dbraw/zinc/88/19/92/892881992.db2.gz IVNJOJIXQMCGET-MRVPVSSYSA-N 0 3 283.332 -1.876 20 0 CAADHN Cc1nnccc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484681986 892882692 /nfs/dbraw/zinc/88/26/92/892882692.db2.gz FOMLDGYEEXRGSD-JTQLQIEISA-N 0 3 293.327 -1.299 20 0 CAADHN CCc1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)[nH]n1 ZINC001484671839 892883655 /nfs/dbraw/zinc/88/36/55/892883655.db2.gz UPUUQHLBEYYAEU-JTQLQIEISA-N 0 3 295.343 -1.112 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cocn2)CCO1)C(N)=O ZINC001484671553 892883866 /nfs/dbraw/zinc/88/38/66/892883866.db2.gz PRLWNXJPYPOZCE-BDAKNGLRSA-N 0 3 282.300 -1.021 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001484675526 892884527 /nfs/dbraw/zinc/88/45/27/892884527.db2.gz XUFFJMYTJDKNNL-SNVBAGLBSA-N 0 3 285.344 -1.406 20 0 CAADHN Cc1nnccc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484681987 892884577 /nfs/dbraw/zinc/88/45/77/892884577.db2.gz FOMLDGYEEXRGSD-SNVBAGLBSA-N 0 3 293.327 -1.299 20 0 CAADHN CCc1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)[nH]n1 ZINC001484671840 892884613 /nfs/dbraw/zinc/88/46/13/892884613.db2.gz UPUUQHLBEYYAEU-SNVBAGLBSA-N 0 3 295.343 -1.112 20 0 CAADHN Cn1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)[nH]c1=O ZINC001484688271 892884646 /nfs/dbraw/zinc/88/46/46/892884646.db2.gz ULPAMDBBLKHJFV-QMMMGPOBSA-N 0 3 297.315 -1.958 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCO1 ZINC001484678269 892884703 /nfs/dbraw/zinc/88/47/03/892884703.db2.gz XBQILUMZYILHLV-WDMOLILDSA-N 0 3 297.355 -1.414 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001484675753 892885225 /nfs/dbraw/zinc/88/52/25/892885225.db2.gz JEPJGTAJOSKYLX-ZETCQYMHSA-N 0 3 258.278 -2.836 20 0 CAADHN COC[C@H](C)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484671205 892885289 /nfs/dbraw/zinc/88/52/89/892885289.db2.gz MSPFYTFOLYQILK-UWVGGRQHSA-N 0 3 273.333 -1.429 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1)C(N)=O ZINC001484674696 892885805 /nfs/dbraw/zinc/88/58/05/892885805.db2.gz RDQZESYKECNPAQ-IUCAKERBSA-N 0 3 281.316 -1.286 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001484697666 892886894 /nfs/dbraw/zinc/88/68/94/892886894.db2.gz WGMWUMSTXWLBJQ-IUCAKERBSA-N 0 3 296.331 -1.630 20 0 CAADHN C[C@@]1(C(=O)N2CCO[C@H](CNCC(N)=O)C2)CCNC1=O ZINC001484693092 892887362 /nfs/dbraw/zinc/88/73/62/892887362.db2.gz RDIFINCFKMTOON-NOZJJQNGSA-N 0 3 298.343 -2.185 20 0 CAADHN CCc1nc[nH]c1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484696111 892887468 /nfs/dbraw/zinc/88/74/68/892887468.db2.gz CEFASTKVPRCSHA-SECBINFHSA-N 0 3 295.343 -1.112 20 0 CAADHN C[C@]1(C(=O)N2CCO[C@H](CNCC(N)=O)C2)CCOC1 ZINC001484695654 892889399 /nfs/dbraw/zinc/88/93/99/892889399.db2.gz MVDUTYVLXAPCIV-MFKMUULPSA-N 0 3 285.344 -1.285 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001484697653 892890986 /nfs/dbraw/zinc/89/09/86/892890986.db2.gz WGMWUMSTXWLBJQ-BDAKNGLRSA-N 0 3 296.331 -1.630 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2CCC(=O)N2)CCOCC1 ZINC001484860234 892894013 /nfs/dbraw/zinc/89/40/13/892894013.db2.gz ITHWSFTVGAMLGM-SECBINFHSA-N 0 3 298.343 -1.995 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001484877523 892896752 /nfs/dbraw/zinc/89/67/52/892896752.db2.gz DXXZCEHYXMRPGR-SCZZXKLOSA-N 0 3 270.333 -1.695 20 0 CAADHN CC(=O)NCC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001484948220 892896976 /nfs/dbraw/zinc/89/69/76/892896976.db2.gz LUXUWKOYPLNVDY-UHFFFAOYSA-N 0 3 286.332 -2.449 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C ZINC001484893606 892897852 /nfs/dbraw/zinc/89/78/52/892897852.db2.gz CAEIXCXDXYSVDL-BDAKNGLRSA-N 0 3 295.343 -1.078 20 0 CAADHN Cn1cnc(C(=O)N2CCC(O)(CNCC(N)=O)CC2)c1 ZINC001484951932 892898379 /nfs/dbraw/zinc/89/83/79/892898379.db2.gz GPRWOAUEYDPQBV-UHFFFAOYSA-N 0 3 295.343 -1.538 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)NC1CCCC1 ZINC001484898550 892898806 /nfs/dbraw/zinc/89/88/06/892898806.db2.gz XXLIQFQYJVBUKU-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN CCCNC(=O)CN[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001484884953 892899494 /nfs/dbraw/zinc/89/94/94/892899494.db2.gz PECLCEKVUPWQOJ-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)NC1CCCC1 ZINC001484898553 892899322 /nfs/dbraw/zinc/89/93/22/892899322.db2.gz XXLIQFQYJVBUKU-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN COC(=O)NCC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001484879257 892899684 /nfs/dbraw/zinc/89/96/84/892899684.db2.gz JEJVMPPGPRCITL-YUMQZZPRSA-N 0 3 272.305 -1.736 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)NC1CC1 ZINC001484897221 892900005 /nfs/dbraw/zinc/90/00/05/892900005.db2.gz IQSMLPBILOKBKH-CBAPKCEASA-N 0 3 268.317 -1.813 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)c2ncn(C)n2)CC1 ZINC001485017421 892901206 /nfs/dbraw/zinc/90/12/06/892901206.db2.gz FOBLSZXYGNTWAN-JTQLQIEISA-N 0 3 297.359 -1.247 20 0 CAADHN CCCNC(=O)CNC[C@@H]1CCCCN1C(=O)C(N)=O ZINC001485039396 892903461 /nfs/dbraw/zinc/90/34/61/892903461.db2.gz XLPWCZDZWAWYGF-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)c1cn[nH]c(=O)c1 ZINC001485021073 892903485 /nfs/dbraw/zinc/90/34/85/892903485.db2.gz ZJBMDSGZYPEYAG-UHFFFAOYSA-N 0 3 296.327 -1.269 20 0 CAADHN O=C(CN1CCCC1=O)NC1(CO)CCN(CCO)CC1 ZINC001485012779 892904179 /nfs/dbraw/zinc/90/41/79/892904179.db2.gz ICHVUBYHIIIWOI-UHFFFAOYSA-N 0 3 299.371 -1.456 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCOC ZINC001485112682 892905715 /nfs/dbraw/zinc/90/57/15/892905715.db2.gz RRHSMXXFIJMCMH-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)Cc2nnc[n-]2)C1 ZINC001485107455 892905832 /nfs/dbraw/zinc/90/58/32/892905832.db2.gz SHHZVFDAMGUBRY-XNWIYYODSA-N 0 3 294.359 -1.034 20 0 CAADHN C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)NCC(N)=O ZINC001485129179 892906176 /nfs/dbraw/zinc/90/61/76/892906176.db2.gz UQJACDQEQHBZNO-NKWVEPMBSA-N 0 3 265.335 -2.001 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001485129181 892906466 /nfs/dbraw/zinc/90/64/66/892906466.db2.gz UQJACDQEQHBZNO-RNFRBKRXSA-N 0 3 265.335 -2.001 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H]1CN(C)CCO ZINC001485056713 892907539 /nfs/dbraw/zinc/90/75/39/892907539.db2.gz ACZXYAVHDABFST-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H]1CN(C)CCO ZINC001485056714 892907846 /nfs/dbraw/zinc/90/78/46/892907846.db2.gz ACZXYAVHDABFST-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN C[C@@H](NC(=O)c1cnccn1)[C@H](C)NCC(=O)NC(N)=O ZINC001485120112 892907945 /nfs/dbraw/zinc/90/79/45/892907945.db2.gz WWCMEFLHNSGLIV-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1ncn(C)n1 ZINC001485145538 892908850 /nfs/dbraw/zinc/90/88/50/892908850.db2.gz HSXFPDJMZUUAAE-YUMQZZPRSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@@H](NCCF)[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001485147753 892909024 /nfs/dbraw/zinc/90/90/24/892909024.db2.gz QKXXBSWOSPSFPI-SFYZADRCSA-N 0 3 286.311 -1.171 20 0 CAADHN C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001485162829 892909750 /nfs/dbraw/zinc/90/97/50/892909750.db2.gz LQYNFNKICAWHIV-RQJHMYQMSA-N 0 3 267.289 -1.236 20 0 CAADHN C[C@@H](NC(=O)CC(N)=O)[C@H](C)NCC(=O)N(C)C ZINC001485131607 892909770 /nfs/dbraw/zinc/90/97/70/892909770.db2.gz HASFUQDRDOQWOD-JGVFFNPUSA-N 0 3 258.322 -1.567 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001485179976 892909877 /nfs/dbraw/zinc/90/98/77/892909877.db2.gz ABNKOYZYXBZZLL-SFYZADRCSA-N 0 3 283.336 -1.557 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001485167108 892909974 /nfs/dbraw/zinc/90/99/74/892909974.db2.gz BQDDYMJGYBLLHT-SFYZADRCSA-N 0 3 297.315 -2.083 20 0 CAADHN C[C@@H](NCC(=O)NCC(F)(F)F)[C@H](C)NC(=O)C(N)=O ZINC001485188639 892909991 /nfs/dbraw/zinc/90/99/91/892909991.db2.gz MOTPWJRRVYNWSZ-RITPCOANSA-N 0 3 298.265 -1.367 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001485146210 892910129 /nfs/dbraw/zinc/91/01/29/892910129.db2.gz GLTNSRDQGYVDRX-YUMQZZPRSA-N 0 3 269.309 -2.098 20 0 CAADHN C[C@@H](NCC(=O)NCC(F)(F)F)[C@@H](C)NC(=O)C(N)=O ZINC001485188635 892910425 /nfs/dbraw/zinc/91/04/25/892910425.db2.gz MOTPWJRRVYNWSZ-PHDIDXHHSA-N 0 3 298.265 -1.367 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001485166453 892911242 /nfs/dbraw/zinc/91/12/42/892911242.db2.gz PJKPDGKDWXPVIU-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN COCCn1cc(C(=O)N[C@@H](C)[C@@H](C)NCC(N)=O)nn1 ZINC001485147602 892911358 /nfs/dbraw/zinc/91/13/58/892911358.db2.gz PUAXZJDKFPGBRU-BDAKNGLRSA-N 0 3 298.347 -1.494 20 0 CAADHN C[C@H](NCCF)[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001485147754 892911502 /nfs/dbraw/zinc/91/15/02/892911502.db2.gz QKXXBSWOSPSFPI-YUMQZZPRSA-N 0 3 286.311 -1.171 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N(C)CCn1cncn1 ZINC001485275101 892912749 /nfs/dbraw/zinc/91/27/49/892912749.db2.gz UQHPAIUNZIOFMN-JTQLQIEISA-N 0 3 293.335 -1.599 20 0 CAADHN C[C@@H](NC(=O)CN1C(=O)CNC1=O)[C@H](C)NCC(N)=O ZINC001485224173 892914953 /nfs/dbraw/zinc/91/49/53/892914953.db2.gz HGVNJYCNNBZJRY-NKWVEPMBSA-N 0 3 285.304 -2.494 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001485191152 892915150 /nfs/dbraw/zinc/91/51/50/892915150.db2.gz QZFWPZJAOHVODK-IUCAKERBSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCNC1=O)N(C)CCn1cncn1 ZINC001485338800 892917177 /nfs/dbraw/zinc/91/71/77/892917177.db2.gz QTPLCNSSVQLBSU-MNOVXSKESA-N 0 3 294.359 -1.149 20 0 CAADHN C[C@@H](CNC(=O)CCNS(C)(=O)=O)N(C)CCO ZINC001485311028 892918891 /nfs/dbraw/zinc/91/88/91/892918891.db2.gz YIJUESYEQYAPSV-VIFPVBQESA-N 0 3 281.378 -1.646 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)CCOCCO ZINC001485378882 892923504 /nfs/dbraw/zinc/92/35/04/892923504.db2.gz ZZZDPUZRDNLLQO-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)N(C)CCO ZINC001485362029 892923637 /nfs/dbraw/zinc/92/36/37/892923637.db2.gz OOFGQZILSLPPID-QMMMGPOBSA-N 0 3 271.317 -1.532 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)CCOCCO ZINC001485378881 892924132 /nfs/dbraw/zinc/92/41/32/892924132.db2.gz ZZZDPUZRDNLLQO-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001485977836 892964331 /nfs/dbraw/zinc/96/43/31/892964331.db2.gz WIDIGRITQBJPPJ-VHSXEESVSA-N 0 3 262.306 -1.885 20 0 CAADHN COCCN(C)[C@@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001485379719 892924786 /nfs/dbraw/zinc/92/47/86/892924786.db2.gz QUFDCUIBXAUSKL-JTQLQIEISA-N 0 3 299.375 -1.027 20 0 CAADHN C[C@@H](CNC(=O)c1nccnc1C(N)=O)N(C)CCO ZINC001485384089 892925074 /nfs/dbraw/zinc/92/50/74/892925074.db2.gz SNNLSDPBEOJJGH-QMMMGPOBSA-N 0 3 281.316 -1.382 20 0 CAADHN CCCC[C@H](CN[C@H](C)C(N)=O)NC(=O)c1nnn(C)n1 ZINC001485467640 892931313 /nfs/dbraw/zinc/93/13/13/892931313.db2.gz FFDVTUUZRRFSEV-RKDXNWHRSA-N 0 3 297.363 -1.038 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)C1CN(C[C@H](C)O)C1 ZINC001485487704 892931505 /nfs/dbraw/zinc/93/15/05/892931505.db2.gz CFPDFEHWEWHORH-DTWKUNHWSA-N 0 3 257.334 -1.060 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2COC(=O)N2)CCCCC1 ZINC001485451812 892931742 /nfs/dbraw/zinc/93/17/42/892931742.db2.gz SRTXEJLDYMCPAN-SECBINFHSA-N 0 3 298.343 -1.011 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)C1CN(C[C@H](C)O)C1 ZINC001485487705 892931792 /nfs/dbraw/zinc/93/17/92/892931792.db2.gz CFPDFEHWEWHORH-IUCAKERBSA-N 0 3 257.334 -1.060 20 0 CAADHN CCCC[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCNC1=O ZINC001485469156 892932487 /nfs/dbraw/zinc/93/24/87/892932487.db2.gz OZRKEFTUMYXOGO-UWVGGRQHSA-N 0 3 284.360 -1.128 20 0 CAADHN CCCC[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCNC1=O ZINC001485469157 892932669 /nfs/dbraw/zinc/93/26/69/892932669.db2.gz OZRKEFTUMYXOGO-VHSXEESVSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@H](NC(=O)CCNC(N)=O)C1CN(CCCO)C1 ZINC001485535627 892934638 /nfs/dbraw/zinc/93/46/38/892934638.db2.gz MLIKTGMLFDHPDS-VIFPVBQESA-N 0 3 272.349 -1.136 20 0 CAADHN CCN1CC([C@@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001485526206 892935042 /nfs/dbraw/zinc/93/50/42/892935042.db2.gz HDVPBAPDUCUAJR-KCJUWKMLSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](NC(=O)CN1C(=O)CNC1=O)C1CN(CCCO)C1 ZINC001485536930 892935475 /nfs/dbraw/zinc/93/54/75/892935475.db2.gz YMWXNPPUFKBZEL-SECBINFHSA-N 0 3 298.343 -1.643 20 0 CAADHN C[C@@H](NC(=O)CCNC(N)=O)C1CN(CCCO)C1 ZINC001485535625 892937014 /nfs/dbraw/zinc/93/70/14/892937014.db2.gz MLIKTGMLFDHPDS-SECBINFHSA-N 0 3 272.349 -1.136 20 0 CAADHN C[C@H](NCC(=O)NC1CC1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485642851 892937901 /nfs/dbraw/zinc/93/79/01/892937901.db2.gz FUYOIMNRUDPCCW-WCBMZHEXSA-N 0 3 298.343 -2.044 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)CCOC)CCO1 ZINC001485630818 892938478 /nfs/dbraw/zinc/93/84/78/892938478.db2.gz LWACYXHOYSDPOC-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001485634954 892938913 /nfs/dbraw/zinc/93/89/13/892938913.db2.gz UZJBJJKHGKLWHA-IONNQARKSA-N 0 3 299.356 -1.158 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@H]([C@@H](C)NCC(N)=O)C1 ZINC001485631201 892939079 /nfs/dbraw/zinc/93/90/79/892939079.db2.gz QPTRJRGCUSYNTC-SCZZXKLOSA-N 0 3 286.332 -2.187 20 0 CAADHN CC(=O)N1CCO[C@H]([C@H](C)NCC(=O)NC(N)=O)C1 ZINC001485630513 892939937 /nfs/dbraw/zinc/93/99/37/892939937.db2.gz IDDAJRCLVFWUER-CBAPKCEASA-N 0 3 272.305 -1.593 20 0 CAADHN C[C@H](C(=O)NC(N)=O)N(C)C1CCN(C(=O)C(N)=O)CC1 ZINC001485762581 892941254 /nfs/dbraw/zinc/94/12/54/892941254.db2.gz COBDCQCVZXREES-SSDOTTSWSA-N 0 3 299.331 -2.022 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001485650803 892942747 /nfs/dbraw/zinc/94/27/47/892942747.db2.gz YTHZJFNXPXQEDV-ZJUUUORDSA-N 0 3 296.331 -2.031 20 0 CAADHN COCC(=O)N(C)C[C@@H](C)NCCN(C)S(C)(=O)=O ZINC001485838777 892946800 /nfs/dbraw/zinc/94/68/00/892946800.db2.gz UDJYYNPVXYAYJC-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)Cn1cncn1 ZINC001485836040 892946841 /nfs/dbraw/zinc/94/68/41/892946841.db2.gz RYSMWWIFCPOXDV-NSHDSACASA-N 0 3 294.359 -1.149 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cnnn1)N[C@@H](C)C(=O)N(C)C ZINC001485844708 892946898 /nfs/dbraw/zinc/94/68/98/892946898.db2.gz MPRQJRJRCDGJFD-UWVGGRQHSA-N 0 3 297.363 -1.414 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)NCC(N)=O ZINC001485867027 892946924 /nfs/dbraw/zinc/94/69/24/892946924.db2.gz TUDSGCIBVWIQMG-BQBZGAKWSA-N 0 3 259.310 -2.035 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001485798256 892947383 /nfs/dbraw/zinc/94/73/83/892947383.db2.gz TXRFLKBHBCRDNE-KCJUWKMLSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)NCC(=O)N1CCC1 ZINC001485865056 892947720 /nfs/dbraw/zinc/94/77/20/892947720.db2.gz CTMRCJFZFDJRGX-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001485841922 892947953 /nfs/dbraw/zinc/94/79/53/892947953.db2.gz CLAZHKJBCWEWCA-JGVFFNPUSA-N 0 3 258.322 -1.567 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)c1nnn(C)n1 ZINC001485821636 892948190 /nfs/dbraw/zinc/94/81/90/892948190.db2.gz HVEHDZOBRZVMPT-VIFPVBQESA-N 0 3 295.347 -1.604 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1COCCO1 ZINC001485846892 892948218 /nfs/dbraw/zinc/94/82/18/892948218.db2.gz GOMNGDUBWLVAKA-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN Cc1nc(CN[C@H](C)CN(C)C(=O)CC(N)=O)n[nH]1 ZINC001485858919 892948588 /nfs/dbraw/zinc/94/85/88/892948588.db2.gz SVUJGFOOPJNWTQ-SSDOTTSWSA-N 0 3 268.321 -1.075 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001485841921 892948621 /nfs/dbraw/zinc/94/86/21/892948621.db2.gz CLAZHKJBCWEWCA-HTQZYQBOSA-N 0 3 258.322 -1.567 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001485844851 892948916 /nfs/dbraw/zinc/94/89/16/892948916.db2.gz OZXFGQKQOQBYAD-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cnnn1)N[C@H](C)C(=O)N(C)C ZINC001485844707 892948940 /nfs/dbraw/zinc/94/89/40/892948940.db2.gz MPRQJRJRCDGJFD-NXEZZACHSA-N 0 3 297.363 -1.414 20 0 CAADHN COCC(=O)N(C)[C@@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001485796495 892949225 /nfs/dbraw/zinc/94/92/25/892949225.db2.gz LAXZCHKPKSBBNN-VIFPVBQESA-N 0 3 286.332 -1.346 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(C)C[C@@H](C)NCCF ZINC001485890604 892950293 /nfs/dbraw/zinc/95/02/93/892950293.db2.gz LOJAAWHBVRAAFY-SECBINFHSA-N 0 3 290.339 -1.355 20 0 CAADHN C[C@H](CN(C)C(=O)c1nnn(C)n1)NCC(=O)N(C)C ZINC001485910655 892950890 /nfs/dbraw/zinc/95/08/90/892950890.db2.gz JBJCKCKGBFHKRI-MRVPVSSYSA-N 0 3 283.336 -1.652 20 0 CAADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)N[C@H]1CCNC1=O ZINC001485915941 892951222 /nfs/dbraw/zinc/95/12/22/892951222.db2.gz HGWNUCYJNODNGG-BDAKNGLRSA-N 0 3 293.327 -1.292 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C(N)=O ZINC001485918145 892951325 /nfs/dbraw/zinc/95/13/25/892951325.db2.gz ZDUKOBYPQFGCQX-RNFRBKRXSA-N 0 3 287.320 -2.248 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@H](C)N[C@@H]1CCNC1=O ZINC001485872575 892951424 /nfs/dbraw/zinc/95/14/24/892951424.db2.gz VFNXGRBPBHZZJG-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001485874899 892951738 /nfs/dbraw/zinc/95/17/38/892951738.db2.gz DUZXWUYBALUSLA-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)N[C@H]1CCNC1=O ZINC001485915943 892951774 /nfs/dbraw/zinc/95/17/74/892951774.db2.gz HGWNUCYJNODNGG-IUCAKERBSA-N 0 3 293.327 -1.292 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001485908075 892951874 /nfs/dbraw/zinc/95/18/74/892951874.db2.gz KWIGUKLQOKCKGF-JTQLQIEISA-N 0 3 299.375 -2.399 20 0 CAADHN C[C@@H](CN(C)C(=O)Cc1ccn(C)n1)NCC(N)=O ZINC001485874312 892952380 /nfs/dbraw/zinc/95/23/80/892952380.db2.gz WNTUOLMFQKHVOQ-VIFPVBQESA-N 0 3 267.333 -1.116 20 0 CAADHN C[C@H](CN(C)C(=O)[C@]12C[C@H]1COC2)NCC(=O)NC(N)=O ZINC001485877590 892952501 /nfs/dbraw/zinc/95/25/01/892952501.db2.gz NDKUGTQNRNSKSO-ZDMBXUJBSA-N 0 3 298.343 -1.346 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)NCC(N)=O ZINC001485900862 892952530 /nfs/dbraw/zinc/95/25/30/892952530.db2.gz ONJUPFXGUMVWRQ-NXEZZACHSA-N 0 3 299.375 -1.301 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)NCC(N)=O ZINC001485900871 892952567 /nfs/dbraw/zinc/95/25/67/892952567.db2.gz ONJUPFXGUMVWRQ-ZJUUUORDSA-N 0 3 299.375 -1.301 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001485914445 892952676 /nfs/dbraw/zinc/95/26/76/892952676.db2.gz WQJIIGBUIVEVHS-UWVGGRQHSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)C(N)=O ZINC001485918146 892952744 /nfs/dbraw/zinc/95/27/44/892952744.db2.gz ZDUKOBYPQFGCQX-RQJHMYQMSA-N 0 3 287.320 -2.248 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCNC1=O)NCC(N)=O ZINC001485922801 892953202 /nfs/dbraw/zinc/95/32/02/892953202.db2.gz RJAHYESIZYSZSV-QPUJVOFHSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C1(C(=O)NC)CC1 ZINC001485933274 892954639 /nfs/dbraw/zinc/95/46/39/892954639.db2.gz ACMONEFMJVFUDR-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CCCS(=O)(=O)CC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001485958078 892954856 /nfs/dbraw/zinc/95/48/56/892954856.db2.gz HJEFXVISVPSLGP-VIFPVBQESA-N 0 3 293.389 -1.267 20 0 CAADHN CCCS(=O)(=O)CC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001485958077 892955345 /nfs/dbraw/zinc/95/53/45/892955345.db2.gz HJEFXVISVPSLGP-SECBINFHSA-N 0 3 293.389 -1.267 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccnnc1)NCC(=O)NC(N)=O ZINC001485928085 892955371 /nfs/dbraw/zinc/95/53/71/892955371.db2.gz YKXBOKIXZIGMQX-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN O=C(NCCN[C@@H](CO)CNC(=O)C1CC1)C1CC1 ZINC001485967267 892955856 /nfs/dbraw/zinc/95/58/56/892955856.db2.gz NGTIDJYGCZXBKT-LLVKDONJSA-N 0 3 269.345 -1.011 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)CCNC(N)=O ZINC001485954603 892955911 /nfs/dbraw/zinc/95/59/11/892955911.db2.gz UWMCIFPYXPAWFB-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ccccc1=O)NCC(N)=O ZINC001485953849 892956496 /nfs/dbraw/zinc/95/64/96/892956496.db2.gz DZDKHWWCPKOZCJ-JTQLQIEISA-N 0 3 280.328 -1.230 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)CCNC(N)=O ZINC001485954604 892957166 /nfs/dbraw/zinc/95/71/66/892957166.db2.gz UWMCIFPYXPAWFB-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cncn1)NCC(=O)NC1CC1 ZINC001485952425 892957268 /nfs/dbraw/zinc/95/72/68/892957268.db2.gz AZHNHZOHRNQETP-JTQLQIEISA-N 0 3 294.359 -1.007 20 0 CAADHN O=C(NCCN[C@H](CO)CNC(=O)C1CC1)C1CC1 ZINC001485967268 892957360 /nfs/dbraw/zinc/95/73/60/892957360.db2.gz NGTIDJYGCZXBKT-NSHDSACASA-N 0 3 269.345 -1.011 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@@H](C)NC(C)=O ZINC001485971360 892960130 /nfs/dbraw/zinc/96/01/30/892960130.db2.gz VDUJGKUXJSWTGN-SCZZXKLOSA-N 0 3 261.322 -1.776 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cnccn1 ZINC001485969097 892961039 /nfs/dbraw/zinc/96/10/39/892961039.db2.gz KQIRINVSENLITE-SECBINFHSA-N 0 3 254.290 -1.197 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@H]1COCCO1 ZINC001485976535 892963988 /nfs/dbraw/zinc/96/39/88/892963988.db2.gz LWNMBPMTXRWHBX-WDEREUQCSA-N 0 3 299.331 -2.240 20 0 CAADHN CN1CCC[C@H]1C(=O)NC[C@@H](CO)NCC(=O)N1CCC1 ZINC001485979175 892965380 /nfs/dbraw/zinc/96/53/80/892965380.db2.gz HZNDSMFNSRRAOD-RYUDHWBXSA-N 0 3 298.387 -1.620 20 0 CAADHN NC(=O)CC(=O)NC[C@H](CO)NCc1ccc(CO)cc1 ZINC001485981957 892967458 /nfs/dbraw/zinc/96/74/58/892967458.db2.gz HPNGQFDMWKZUEM-GFCCVEGCSA-N 0 3 295.339 -1.379 20 0 CAADHN CS(=O)(=O)CC(=O)NC[C@H](CO)NCCO ZINC001485980584 892968835 /nfs/dbraw/zinc/96/88/35/892968835.db2.gz ROYCMZABNKWBBG-SSDOTTSWSA-N 0 3 254.308 -2.910 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)CC1OCCCO1 ZINC001485988427 892972871 /nfs/dbraw/zinc/97/28/71/892972871.db2.gz GANJTAJUPKSMNO-SNVBAGLBSA-N 0 3 276.333 -1.147 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)c1cc[nH]c1 ZINC001485998171 892977121 /nfs/dbraw/zinc/97/71/21/892977121.db2.gz DXHXOKRKZXUTKG-NSHDSACASA-N 0 3 295.343 -1.280 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001486020822 892986700 /nfs/dbraw/zinc/98/67/00/892986700.db2.gz HXJCFMRZKOBTMW-SNVBAGLBSA-N 0 3 293.331 -1.310 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)Cc1cnoc1 ZINC001486027293 892989725 /nfs/dbraw/zinc/98/97/25/892989725.db2.gz ZAWSYIKWKLYMOU-SNVBAGLBSA-N 0 3 257.290 -1.070 20 0 CAADHN COCCN[C@H](CO)CNC(=O)Cc1cnoc1 ZINC001486027291 892990869 /nfs/dbraw/zinc/99/08/69/892990869.db2.gz ZAWSYIKWKLYMOU-JTQLQIEISA-N 0 3 257.290 -1.070 20 0 CAADHN NC(=O)C(=O)NC[C@@H](CO)NCCOC[C@@H]1CCCO1 ZINC001486031792 892993120 /nfs/dbraw/zinc/99/31/20/892993120.db2.gz WDFIHMLIXSDNHA-UWVGGRQHSA-N 0 3 289.332 -2.266 20 0 CAADHN C[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)S(C)(=O)=O ZINC001486284924 893038012 /nfs/dbraw/zinc/03/80/12/893038012.db2.gz MDPGPPHYQHCONM-SFYZADRCSA-N 0 3 295.361 -2.686 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001486298808 893040284 /nfs/dbraw/zinc/04/02/84/893040284.db2.gz XQLLRTKKBKDYFH-MRVPVSSYSA-N 0 3 274.321 -2.595 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1ccncn1 ZINC001486043828 892996901 /nfs/dbraw/zinc/99/69/01/892996901.db2.gz NDMVZOFYUZACKW-SNVBAGLBSA-N 0 3 291.315 -1.551 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](CO)NCCn2cncn2)n1 ZINC001486045621 892996927 /nfs/dbraw/zinc/99/69/27/892996927.db2.gz WUCMLWWWRFHKEC-SECBINFHSA-N 0 3 294.319 -2.213 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](CO)NCCn2cncn2)n1 ZINC001486045625 892999048 /nfs/dbraw/zinc/99/90/48/892999048.db2.gz WUCMLWWWRFHKEC-VIFPVBQESA-N 0 3 294.319 -2.213 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cnn(C)c1OC ZINC001486057036 893004036 /nfs/dbraw/zinc/00/40/36/893004036.db2.gz WIPUCDPOVSZMAY-VIFPVBQESA-N 0 3 286.332 -1.245 20 0 CAADHN Cc1cc(NC(=O)C(=O)NC[C@@H](CO)NCCO)no1 ZINC001486062731 893009544 /nfs/dbraw/zinc/00/95/44/893009544.db2.gz YSGJPSPKFNPVDS-QMMMGPOBSA-N 0 3 286.288 -2.019 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)CN1CCCC1 ZINC001486060909 893010287 /nfs/dbraw/zinc/01/02/87/893010287.db2.gz DDSNCDLJJHBBAB-JTQLQIEISA-N 0 3 272.349 -2.105 20 0 CAADHN C[C@@H]1C[C@@H](NCC(=O)NC(N)=O)CN1C(=O)c1cn[nH]c1 ZINC001486103033 893012357 /nfs/dbraw/zinc/01/23/57/893012357.db2.gz ZGUGYSVXVATVHW-VXNVDRBHSA-N 0 3 294.315 -1.203 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(C)=O)[C@@H]1C ZINC001486071335 893012823 /nfs/dbraw/zinc/01/28/23/893012823.db2.gz RNDZKWUMOYUBQB-PSASIEDQSA-N 0 3 270.333 -1.553 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@@H](NCCF)[C@H]1C ZINC001486087466 893013073 /nfs/dbraw/zinc/01/30/73/893013073.db2.gz KPFPGYCCCCLOOI-RKDXNWHRSA-N 0 3 296.368 -1.411 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cc2nnc(C)[nH]2)[C@@H]1C ZINC001486080210 893013108 /nfs/dbraw/zinc/01/31/08/893013108.db2.gz UBELHYFVWUQXBP-SCZZXKLOSA-N 0 3 294.359 -1.019 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)NCC2CCC2)CCN1C(=O)C(N)=O ZINC001486085009 893013749 /nfs/dbraw/zinc/01/37/49/893013749.db2.gz OEQSSZFHKFCJRL-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN(C)C(=O)C1CC1 ZINC001486113866 893013990 /nfs/dbraw/zinc/01/39/90/893013990.db2.gz ITVSJEGBUVFYSC-GXSJLCMTSA-N 0 3 296.371 -1.081 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001486071338 893014163 /nfs/dbraw/zinc/01/41/63/893014163.db2.gz RNDZKWUMOYUBQB-WPRPVWTQSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN(C)C(=O)C1CC1 ZINC001486113868 893014203 /nfs/dbraw/zinc/01/42/03/893014203.db2.gz ITVSJEGBUVFYSC-MWLCHTKSSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1[C@H](NCC(=O)NCC2CCC2)CCN1C(=O)C(N)=O ZINC001486085008 893014367 /nfs/dbraw/zinc/01/43/67/893014367.db2.gz OEQSSZFHKFCJRL-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001486067284 893016280 /nfs/dbraw/zinc/01/62/80/893016280.db2.gz XWCSDXKFHNLLCC-VXGBXAGGSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001486071337 893016361 /nfs/dbraw/zinc/01/63/61/893016361.db2.gz RNDZKWUMOYUBQB-WCBMZHEXSA-N 0 3 270.333 -1.553 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001486257451 893016859 /nfs/dbraw/zinc/01/68/59/893016859.db2.gz QVPSRLKTCWFBLO-SNVBAGLBSA-N 0 3 295.343 -1.413 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNCc1ccnn1C ZINC001486253212 893017016 /nfs/dbraw/zinc/01/70/16/893017016.db2.gz KPIDWZCNGAFFNV-NSHDSACASA-N 0 3 270.333 -1.025 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)CC1CC1 ZINC001486257333 893017224 /nfs/dbraw/zinc/01/72/24/893017224.db2.gz JWWZGOAXKCCPGK-VIFPVBQESA-N 0 3 286.332 -1.610 20 0 CAADHN CCC(=O)N(C)C[C@H](O)CNCCS(C)(=O)=O ZINC001486256010 893017446 /nfs/dbraw/zinc/01/74/46/893017446.db2.gz XESIRBCVHVHRLV-SECBINFHSA-N 0 3 266.363 -1.150 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CN(C)C(=O)C1CC1 ZINC001486255612 893017590 /nfs/dbraw/zinc/01/75/90/893017590.db2.gz OTIVUSOKXVKEJF-SECBINFHSA-N 0 3 286.332 -1.739 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)C1CC1 ZINC001486256083 893017801 /nfs/dbraw/zinc/01/78/01/893017801.db2.gz YMUQTSGQXWSCEP-SNVBAGLBSA-N 0 3 257.334 -1.107 20 0 CAADHN COC[C@@H](OC)C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001486243466 893018773 /nfs/dbraw/zinc/01/87/73/893018773.db2.gz ROLQKCVATZGJCC-ZJUUUORDSA-N 0 3 287.360 -1.040 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCCN(CCO)[C@@H]1C ZINC001486175550 893018916 /nfs/dbraw/zinc/01/89/16/893018916.db2.gz DTSFIGCJHAOCNN-NXEZZACHSA-N 0 3 272.349 -1.123 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001486255428 893019397 /nfs/dbraw/zinc/01/93/97/893019397.db2.gz KUZQQHGOZDFDOH-NXEZZACHSA-N 0 3 273.333 -1.728 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNCC(=O)NC1CC1 ZINC001486254832 893019475 /nfs/dbraw/zinc/01/94/75/893019475.db2.gz YOXPAOPCWNBLSA-JTQLQIEISA-N 0 3 273.333 -1.680 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cccnc1 ZINC001486256862 893019536 /nfs/dbraw/zinc/01/95/36/893019536.db2.gz GSLVTBLGNHMOEJ-JTQLQIEISA-N 0 3 266.301 -1.411 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C)C(=O)NC1CC1 ZINC001486239480 893020111 /nfs/dbraw/zinc/02/01/11/893020111.db2.gz BUJZKYLDKNMDFX-WCBMZHEXSA-N 0 3 296.371 -1.035 20 0 CAADHN CCC(=O)N(C)C[C@H](O)CNCC(=O)NC(=O)NC ZINC001486256000 893020583 /nfs/dbraw/zinc/02/05/83/893020583.db2.gz XBGABZRHOGRSHB-MRVPVSSYSA-N 0 3 274.321 -1.739 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)C(F)F)C(=O)NC(N)=O ZINC001486255139 893020889 /nfs/dbraw/zinc/02/08/89/893020889.db2.gz DVODZXXASQUTRA-WDSKDSINSA-N 0 3 296.274 -1.756 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)C1CC1 ZINC001486256082 893021133 /nfs/dbraw/zinc/02/11/33/893021133.db2.gz YMUQTSGQXWSCEP-JTQLQIEISA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cccnc1 ZINC001486256866 893021172 /nfs/dbraw/zinc/02/11/72/893021172.db2.gz GSLVTBLGNHMOEJ-SNVBAGLBSA-N 0 3 266.301 -1.411 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CNC(C)=O)CC1(C)C ZINC001486223704 893021215 /nfs/dbraw/zinc/02/12/15/893021215.db2.gz IGADDUQAEJGSFG-SNVBAGLBSA-N 0 3 284.360 -1.305 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001486214345 893021552 /nfs/dbraw/zinc/02/15/52/893021552.db2.gz CVYMHJXVTOGHIA-DTWKUNHWSA-N 0 3 280.332 -1.293 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001486223634 893021592 /nfs/dbraw/zinc/02/15/92/893021592.db2.gz HNALFVQMMSPXIP-SCZZXKLOSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)C1CC1)C(=O)NC(N)=O ZINC001486255060 893021805 /nfs/dbraw/zinc/02/18/05/893021805.db2.gz CCEHEJOKLGYZHP-APPZFPTMSA-N 0 3 286.332 -1.611 20 0 CAADHN CN(C[C@H](O)CNCCS(C)(=O)=O)C(=O)C1CC1 ZINC001486255247 893022184 /nfs/dbraw/zinc/02/21/84/893022184.db2.gz HDHXPDDIXHLILH-SNVBAGLBSA-N 0 3 278.374 -1.150 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001486255429 893022570 /nfs/dbraw/zinc/02/25/70/893022570.db2.gz KUZQQHGOZDFDOH-UWVGGRQHSA-N 0 3 273.333 -1.728 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cncs1 ZINC001486262797 893023020 /nfs/dbraw/zinc/02/30/20/893023020.db2.gz GOBAOQSPUBQRPV-QMMMGPOBSA-N 0 3 286.357 -1.088 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cccn1C ZINC001486261776 893023236 /nfs/dbraw/zinc/02/32/36/893023236.db2.gz LZTRNEZGVSLQIY-SECBINFHSA-N 0 3 268.317 -1.467 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)COC(C)C ZINC001486262556 893023687 /nfs/dbraw/zinc/02/36/87/893023687.db2.gz BMRJZUYGCDTRKO-JTQLQIEISA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1cc(C)cn1 ZINC001486263723 893023727 /nfs/dbraw/zinc/02/37/27/893023727.db2.gz WMJSQFMPHYBMHH-NSHDSACASA-N 0 3 297.359 -1.654 20 0 CAADHN Cc1ocnc1C(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001486263130 893023991 /nfs/dbraw/zinc/02/39/91/893023991.db2.gz LQBFRTONACWZGN-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccon1 ZINC001486264521 893024156 /nfs/dbraw/zinc/02/41/56/893024156.db2.gz FPENFULNEXSWQT-VIFPVBQESA-N 0 3 284.316 -1.167 20 0 CAADHN Cc1nc([C@H](C)NC[C@H](O)CN(C)C(=O)CC(N)=O)n[nH]1 ZINC001486265923 893024219 /nfs/dbraw/zinc/02/42/19/893024219.db2.gz FHODFNAIISYBQV-CBAPKCEASA-N 0 3 298.347 -1.542 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cccn1C)C(N)=O ZINC001486261970 893024530 /nfs/dbraw/zinc/02/45/30/893024530.db2.gz POAKLQKRYBTSKB-VHSXEESVSA-N 0 3 282.344 -1.079 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)CC(N)=O ZINC001486266601 893024676 /nfs/dbraw/zinc/02/46/76/893024676.db2.gz JASKJTJWIQPQKP-QMMMGPOBSA-N 0 3 274.321 -2.593 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccon1 ZINC001486264186 893025042 /nfs/dbraw/zinc/02/50/42/893025042.db2.gz BQOKSMBUUPZASO-RKDXNWHRSA-N 0 3 282.300 -1.414 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cccn1C ZINC001486261777 893025503 /nfs/dbraw/zinc/02/55/03/893025503.db2.gz LZTRNEZGVSLQIY-VIFPVBQESA-N 0 3 268.317 -1.467 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccon1 ZINC001486264184 893025631 /nfs/dbraw/zinc/02/56/31/893025631.db2.gz BQOKSMBUUPZASO-DTWKUNHWSA-N 0 3 282.300 -1.414 20 0 CAADHN CC(C)OCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001486263183 893026116 /nfs/dbraw/zinc/02/61/16/893026116.db2.gz MXSOGTGNUGZSKJ-WDEREUQCSA-N 0 3 287.360 -1.291 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@H](O)CNCCF ZINC001486266661 893026160 /nfs/dbraw/zinc/02/61/60/893026160.db2.gz PKJKKPQMTBTXCV-MRVPVSSYSA-N 0 3 265.285 -1.279 20 0 CAADHN COC[C@H](C)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001486266431 893026548 /nfs/dbraw/zinc/02/65/48/893026548.db2.gz UMXJTLOLNHJFAR-DTWKUNHWSA-N 0 3 261.322 -1.837 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnsn1 ZINC001486264476 893027616 /nfs/dbraw/zinc/02/76/16/893027616.db2.gz FCKUPXHEFZRQNQ-SSDOTTSWSA-N 0 3 287.345 -1.693 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)CC(N)=O ZINC001486268249 893029210 /nfs/dbraw/zinc/02/92/10/893029210.db2.gz RCCQOHUBBVQFAO-VIFPVBQESA-N 0 3 288.348 -2.251 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](O)C[NH2+]CCO)[n-]1 ZINC001486276284 893029357 /nfs/dbraw/zinc/02/93/57/893029357.db2.gz GQSFVPQPAPIJID-SECBINFHSA-N 0 3 271.321 -1.943 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ncc[nH]1)C(=O)N(C)C ZINC001486274658 893029878 /nfs/dbraw/zinc/02/98/78/893029878.db2.gz PWSXMTJGUKZGQR-VHSXEESVSA-N 0 3 297.359 -1.091 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1ccon1)C(N)=O ZINC001486268159 893030087 /nfs/dbraw/zinc/03/00/87/893030087.db2.gz VLLXKBQDARTZEM-YUMQZZPRSA-N 0 3 270.289 -1.429 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001486275763 893030347 /nfs/dbraw/zinc/03/03/47/893030347.db2.gz VLBYHVHLTBVPTM-RKDXNWHRSA-N 0 3 296.331 -2.274 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001486275831 893030608 /nfs/dbraw/zinc/03/06/08/893030608.db2.gz WQBIXQALNVKHDT-RKDXNWHRSA-N 0 3 298.347 -2.028 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ncc[nH]1)C(=O)N(C)C ZINC001486274659 893030922 /nfs/dbraw/zinc/03/09/22/893030922.db2.gz PWSXMTJGUKZGQR-ZJUUUORDSA-N 0 3 297.359 -1.091 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001486275829 893031139 /nfs/dbraw/zinc/03/11/39/893031139.db2.gz WQBIXQALNVKHDT-DTWKUNHWSA-N 0 3 298.347 -2.028 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnnn1C)C(N)=O ZINC001486273695 893031292 /nfs/dbraw/zinc/03/12/92/893031292.db2.gz BJRJSDUYIYEMDM-RKDXNWHRSA-N 0 3 298.347 -1.899 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001486275762 893031394 /nfs/dbraw/zinc/03/13/94/893031394.db2.gz VLBYHVHLTBVPTM-IUCAKERBSA-N 0 3 296.331 -2.274 20 0 CAADHN CCn1ccnc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001486274832 893031435 /nfs/dbraw/zinc/03/14/35/893031435.db2.gz LYGRKNAKWYUMLW-VHSXEESVSA-N 0 3 297.359 -1.201 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001486274357 893031845 /nfs/dbraw/zinc/03/18/45/893031845.db2.gz MPEBEESFQHKPOU-VIFPVBQESA-N 0 3 298.347 -2.026 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cnnn1C)C(N)=O ZINC001486273694 893032481 /nfs/dbraw/zinc/03/24/81/893032481.db2.gz BJRJSDUYIYEMDM-IUCAKERBSA-N 0 3 298.347 -1.899 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cc1cccnc1 ZINC001486272438 893033260 /nfs/dbraw/zinc/03/32/60/893033260.db2.gz XSIKOLGTNDBDIJ-NSHDSACASA-N 0 3 280.328 -1.482 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1ncc[nH]1)C(=O)N(C)C ZINC001486274657 893033685 /nfs/dbraw/zinc/03/36/85/893033685.db2.gz PWSXMTJGUKZGQR-UWVGGRQHSA-N 0 3 297.359 -1.091 20 0 CAADHN COc1cnc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)nc1 ZINC001486287467 893034341 /nfs/dbraw/zinc/03/43/41/893034341.db2.gz WYTDXIDWYCOLBK-QMMMGPOBSA-N 0 3 297.315 -2.007 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cc[nH]c1 ZINC001486278458 893034585 /nfs/dbraw/zinc/03/45/85/893034585.db2.gz ASWRISKMXDPRBY-SECBINFHSA-N 0 3 254.290 -1.478 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cnn2c1CCC2 ZINC001486278348 893035565 /nfs/dbraw/zinc/03/55/65/893035565.db2.gz IJFBXQXUOJFNDQ-SECBINFHSA-N 0 3 295.343 -1.663 20 0 CAADHN C[C@H](C(=O)N(C)C[C@@H](O)CNCCF)S(C)(=O)=O ZINC001486286482 893035682 /nfs/dbraw/zinc/03/56/82/893035682.db2.gz UZELZBFSVGXSAU-BDAKNGLRSA-N 0 3 284.353 -1.202 20 0 CAADHN COc1ccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)cn1 ZINC001486286673 893036418 /nfs/dbraw/zinc/03/64/18/893036418.db2.gz PHFZJBMIRWXRNX-SNVBAGLBSA-N 0 3 296.327 -1.402 20 0 CAADHN C[C@H](C(=O)N(C)C[C@H](O)CNCCF)S(C)(=O)=O ZINC001486286487 893036525 /nfs/dbraw/zinc/03/65/25/893036525.db2.gz UZELZBFSVGXSAU-RKDXNWHRSA-N 0 3 284.353 -1.202 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001486277317 893037191 /nfs/dbraw/zinc/03/71/91/893037191.db2.gz FLXXHGJBGDPLNB-WDMOLILDSA-N 0 3 299.371 -1.480 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001486281251 893037529 /nfs/dbraw/zinc/03/75/29/893037529.db2.gz NZWLFWAHTBJPBD-RKDXNWHRSA-N 0 3 286.332 -2.593 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001486291558 893038615 /nfs/dbraw/zinc/03/86/15/893038615.db2.gz HBZXEQUUGYSWAX-IUCAKERBSA-N 0 3 286.332 -2.723 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)C(N)=O)C(=O)N(C)C ZINC001486298515 893038652 /nfs/dbraw/zinc/03/86/52/893038652.db2.gz QGVIMFGBWVHWDA-YUMQZZPRSA-N 0 3 274.321 -2.643 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cc1cnoc1)C(N)=O ZINC001486296403 893039182 /nfs/dbraw/zinc/03/91/82/893039182.db2.gz PYCQTKLQSUAQJL-SCZZXKLOSA-N 0 3 284.316 -1.500 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CCC(=O)N1C ZINC001486296771 893038760 /nfs/dbraw/zinc/03/87/60/893038760.db2.gz SAAPSWLLXAMIFJ-RKDXNWHRSA-N 0 3 286.332 -2.499 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001486300906 893038864 /nfs/dbraw/zinc/03/88/64/893038864.db2.gz IADAVWCGAGUZMM-VHSXEESVSA-N 0 3 288.348 -2.205 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccnnc1 ZINC001486300726 893040092 /nfs/dbraw/zinc/04/00/92/893040092.db2.gz GBTDUNJXHVJQBD-QWRGUYRKSA-N 0 3 293.327 -1.612 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)c(C)n1 ZINC001486302010 893040172 /nfs/dbraw/zinc/04/01/72/893040172.db2.gz BMFICKDREJSVKT-JTQLQIEISA-N 0 3 297.359 -1.281 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001486298247 893040385 /nfs/dbraw/zinc/04/03/85/893040385.db2.gz YGOUJIMOTNOYDW-ZETCQYMHSA-N 0 3 285.308 -3.021 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1n[nH]cc1F ZINC001486298980 893040791 /nfs/dbraw/zinc/04/07/91/893040791.db2.gz BENYUCAUYZNSBB-APPZFPTMSA-N 0 3 299.306 -1.540 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cc(F)c[nH]1 ZINC001486288881 893040981 /nfs/dbraw/zinc/04/09/81/893040981.db2.gz CCROOKSDDDTACA-QMMMGPOBSA-N 0 3 272.280 -1.338 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ccnnc1)C(N)=O ZINC001486301638 893041195 /nfs/dbraw/zinc/04/11/95/893041195.db2.gz PRPMBLDQHIWNPQ-WCBMZHEXSA-N 0 3 281.316 -1.627 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001486291557 893041278 /nfs/dbraw/zinc/04/12/78/893041278.db2.gz HBZXEQUUGYSWAX-DTWKUNHWSA-N 0 3 286.332 -2.723 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccnnc1)C(N)=O ZINC001486301636 893041964 /nfs/dbraw/zinc/04/19/64/893041964.db2.gz PRPMBLDQHIWNPQ-PSASIEDQSA-N 0 3 281.316 -1.627 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001486297654 893042008 /nfs/dbraw/zinc/04/20/08/893042008.db2.gz GPWSPJMUFKXQER-RNFRBKRXSA-N 0 3 260.294 -2.985 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)c(C)n1 ZINC001486302011 893042090 /nfs/dbraw/zinc/04/20/90/893042090.db2.gz BMFICKDREJSVKT-SNVBAGLBSA-N 0 3 297.359 -1.281 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001486297653 893042864 /nfs/dbraw/zinc/04/28/64/893042864.db2.gz GPWSPJMUFKXQER-NKWVEPMBSA-N 0 3 260.294 -2.985 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001486300907 893042996 /nfs/dbraw/zinc/04/29/96/893042996.db2.gz IADAVWCGAGUZMM-ZJUUUORDSA-N 0 3 288.348 -2.205 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001486292672 893043558 /nfs/dbraw/zinc/04/35/58/893043558.db2.gz NAVFRUOBHLGYHH-SFYZADRCSA-N 0 3 284.320 -1.991 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)c1cnon1 ZINC001486305200 893044000 /nfs/dbraw/zinc/04/40/00/893044000.db2.gz AOHGKNVWHPVTFN-SECBINFHSA-N 0 3 297.315 -1.676 20 0 CAADHN CCc1ncoc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001486313842 893044063 /nfs/dbraw/zinc/04/40/63/893044063.db2.gz YCXLOMMZMFHMOQ-QMMMGPOBSA-N 0 3 284.316 -1.255 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)CCc1cn[nH]c1)C(N)=O ZINC001486304024 893044106 /nfs/dbraw/zinc/04/41/06/893044106.db2.gz DZPQCEMQLWEYIH-GXSJLCMTSA-N 0 3 297.359 -1.375 20 0 CAADHN COc1cccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001486308778 893044146 /nfs/dbraw/zinc/04/41/46/893044146.db2.gz SGXYUTWZJJKTOR-SECBINFHSA-N 0 3 296.327 -1.402 20 0 CAADHN Cc1cc(CCC(=O)N(C)C[C@@H](O)CNCC(N)=O)no1 ZINC001486310773 893044574 /nfs/dbraw/zinc/04/45/74/893044574.db2.gz LHDFKYPMZBBMKU-NSHDSACASA-N 0 3 298.343 -1.190 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001486306611 893044774 /nfs/dbraw/zinc/04/47/74/893044774.db2.gz CSSNJINWLHPOMC-SNVBAGLBSA-N 0 3 295.343 -1.413 20 0 CAADHN CCn1ccc(C(=O)N(C)C[C@@H](O)CNCC(=O)NC)n1 ZINC001486303738 893044827 /nfs/dbraw/zinc/04/48/27/893044827.db2.gz VOSAISIQCLYJAM-JTQLQIEISA-N 0 3 297.359 -1.329 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)c1cnon1 ZINC001486305201 893044924 /nfs/dbraw/zinc/04/49/24/893044924.db2.gz AOHGKNVWHPVTFN-VIFPVBQESA-N 0 3 297.315 -1.676 20 0 CAADHN Cc1cc(=O)c(C(=O)N(C)C[C@@H](O)CNCC(N)=O)c[nH]1 ZINC001486307825 893046385 /nfs/dbraw/zinc/04/63/85/893046385.db2.gz HTMGIRMJYGGRCH-VIFPVBQESA-N 0 3 296.327 -1.809 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001486306610 893046619 /nfs/dbraw/zinc/04/66/19/893046619.db2.gz CSSNJINWLHPOMC-JTQLQIEISA-N 0 3 295.343 -1.413 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)nn1 ZINC001486308448 893047007 /nfs/dbraw/zinc/04/70/07/893047007.db2.gz NMUXMYKXRNPVEV-IUCAKERBSA-N 0 3 298.347 -1.806 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)CCc1cn[nH]c1)C(N)=O ZINC001486304027 893047304 /nfs/dbraw/zinc/04/73/04/893047304.db2.gz DZPQCEMQLWEYIH-ONGXEEELSA-N 0 3 297.359 -1.375 20 0 CAADHN C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1)C(N)=O ZINC001486305234 893047339 /nfs/dbraw/zinc/04/73/39/893047339.db2.gz BGTNAUVCUJDDRT-BQBZGAKWSA-N 0 3 270.293 -2.299 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001486308944 893047571 /nfs/dbraw/zinc/04/75/71/893047571.db2.gz CJPJUPHJNOKAAG-YIZRAAEISA-N 0 3 286.332 -2.737 20 0 CAADHN CN(C[C@@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)c1nc[n-]n1 ZINC001486305847 893047823 /nfs/dbraw/zinc/04/78/23/893047823.db2.gz OBZCJPYGVNLFNF-VIFPVBQESA-N 0 3 296.331 -1.941 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)c1nc[nH]n1 ZINC001486305847 893047843 /nfs/dbraw/zinc/04/78/43/893047843.db2.gz OBZCJPYGVNLFNF-VIFPVBQESA-N 0 3 296.331 -1.941 20 0 CAADHN C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1)C(N)=O ZINC001486305236 893048548 /nfs/dbraw/zinc/04/85/48/893048548.db2.gz BGTNAUVCUJDDRT-RNFRBKRXSA-N 0 3 270.293 -2.299 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001486328054 893050070 /nfs/dbraw/zinc/05/00/70/893050070.db2.gz VFXPOSJUPFGQBA-JTQLQIEISA-N 0 3 256.306 -1.233 20 0 CAADHN Cc1c[nH]cc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001486316646 893050986 /nfs/dbraw/zinc/05/09/86/893050986.db2.gz GAJSBFZYUZTKBW-SECBINFHSA-N 0 3 268.317 -1.169 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cn1ccnc1)C(N)=O ZINC001486320544 893051585 /nfs/dbraw/zinc/05/15/85/893051585.db2.gz VCTAHKZONQLYLP-NXEZZACHSA-N 0 3 283.332 -1.834 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)nn1C ZINC001486322403 893051773 /nfs/dbraw/zinc/05/17/73/893051773.db2.gz SNCSPGBLCUETRO-SNVBAGLBSA-N 0 3 297.359 -1.510 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001486321037 893052809 /nfs/dbraw/zinc/05/28/09/893052809.db2.gz YKZAKYOIOADAFB-DTWKUNHWSA-N 0 3 297.315 -1.711 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)C[C@H](O)CNCCF ZINC001486316802 893052958 /nfs/dbraw/zinc/05/29/58/893052958.db2.gz IRVDDIGKBCRFLT-MRVPVSSYSA-N 0 3 285.341 -2.086 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cn1ccnc1)C(N)=O ZINC001486320557 893055388 /nfs/dbraw/zinc/05/53/88/893055388.db2.gz VCTAHKZONQLYLP-ZJUUUORDSA-N 0 3 283.332 -1.834 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001486324002 893055715 /nfs/dbraw/zinc/05/57/15/893055715.db2.gz GLYMGQBCCYKIBI-KOLCDFICSA-N 0 3 275.349 -1.746 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001486332682 893056303 /nfs/dbraw/zinc/05/63/03/893056303.db2.gz WKTHNTSGFRLIGA-GHMZBOCLSA-N 0 3 287.360 -1.744 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001486349067 893057409 /nfs/dbraw/zinc/05/74/09/893057409.db2.gz OCNQIERBMTVEMC-MFKMUULPSA-N 0 3 287.360 -1.602 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001486332687 893057667 /nfs/dbraw/zinc/05/76/67/893057667.db2.gz WKTHNTSGFRLIGA-WDEREUQCSA-N 0 3 287.360 -1.744 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001486332684 893058393 /nfs/dbraw/zinc/05/83/93/893058393.db2.gz WKTHNTSGFRLIGA-MNOVXSKESA-N 0 3 287.360 -1.744 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001486346455 893060096 /nfs/dbraw/zinc/06/00/96/893060096.db2.gz HCEFSNPDDOZHQL-SNVBAGLBSA-N 0 3 298.343 -1.152 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001486346455 893060115 /nfs/dbraw/zinc/06/01/15/893060115.db2.gz HCEFSNPDDOZHQL-SNVBAGLBSA-N 0 3 298.343 -1.152 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001486339836 893061769 /nfs/dbraw/zinc/06/17/69/893061769.db2.gz AHOSWBSPPGFNPL-LBPRGKRZSA-N 0 3 297.355 -1.258 20 0 CAADHN C[C@H](CC(=O)N(C)C[C@@H](O)CN(C)CCO)NC(N)=O ZINC001486335853 893062562 /nfs/dbraw/zinc/06/25/62/893062562.db2.gz XGKVKMYLWCYDAA-ZJUUUORDSA-N 0 3 290.364 -1.823 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001486343718 893063753 /nfs/dbraw/zinc/06/37/53/893063753.db2.gz DUHWFANQNSVAQF-NXEZZACHSA-N 0 3 288.348 -2.247 20 0 CAADHN C[C@@H](CC(=O)N(C)C[C@@H](O)CN(C)CCO)NC(N)=O ZINC001486335851 893064055 /nfs/dbraw/zinc/06/40/55/893064055.db2.gz XGKVKMYLWCYDAA-UWVGGRQHSA-N 0 3 290.364 -1.823 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)Cn1cncn1 ZINC001486424973 893064566 /nfs/dbraw/zinc/06/45/66/893064566.db2.gz YTLAZYNAPWNGLK-VIFPVBQESA-N 0 3 282.348 -1.116 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001486357206 893069283 /nfs/dbraw/zinc/06/92/83/893069283.db2.gz RZFWSNHWIZNPNF-JTQLQIEISA-N 0 3 271.321 -1.979 20 0 CAADHN COCCN(CCNC(=O)C(N)=O)C[C@H]1CCOC1 ZINC001486432531 893070509 /nfs/dbraw/zinc/07/05/09/893070509.db2.gz YYHVUSHLTIOGED-SNVBAGLBSA-N 0 3 273.333 -1.427 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)CCOCCNCC(N)=O ZINC001486499697 893071862 /nfs/dbraw/zinc/07/18/62/893071862.db2.gz ZDFPSFNRJVPDKL-UHFFFAOYSA-N 0 3 283.332 -1.118 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)C(N)=O ZINC001486497069 893073474 /nfs/dbraw/zinc/07/34/74/893073474.db2.gz CSFGEMXOSSPULY-UHFFFAOYSA-N 0 3 260.294 -2.718 20 0 CAADHN C[C@@H]1CO[C@@H](C(=O)N(C)CCOCCNCC(N)=O)C1 ZINC001486495053 893075034 /nfs/dbraw/zinc/07/50/34/893075034.db2.gz HZEVAXADFNHJGZ-WDEREUQCSA-N 0 3 287.360 -1.039 20 0 CAADHN CCN(CC)CC(=O)NC1CC(CNC(=O)C(N)=O)C1 ZINC001486598310 893075561 /nfs/dbraw/zinc/07/55/61/893075561.db2.gz PDTRTTCSYAEYBU-UHFFFAOYSA-N 0 3 284.360 -1.176 20 0 CAADHN CCCN(C)CC(=O)N[C@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001486727032 893078191 /nfs/dbraw/zinc/07/81/91/893078191.db2.gz HGQKBOQQRUUTHQ-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](C(=O)N[C@H](C)C1CN(C(=O)C(N)=O)C1)N(C)C ZINC001487223394 893088844 /nfs/dbraw/zinc/08/88/44/893088844.db2.gz AYJAZPBKSOXCIQ-SCZZXKLOSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@H](NC(=O)CC(N)=O)C1CN(C(=O)CN2CCCC2)C1 ZINC001487163225 893089856 /nfs/dbraw/zinc/08/98/56/893089856.db2.gz XMPXLRHUHCHBKP-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN COCC(=O)NC[C@H](CO)NC(=O)C1(N(C)C)CCC1 ZINC001487928544 893111442 /nfs/dbraw/zinc/11/14/42/893111442.db2.gz DHRXYNKGVUSYEO-SNVBAGLBSA-N 0 3 287.360 -1.290 20 0 CAADHN COCC(=O)NC[C@@H](CO)NC(=O)C1(N(C)C)CCC1 ZINC001487928543 893111815 /nfs/dbraw/zinc/11/18/15/893111815.db2.gz DHRXYNKGVUSYEO-JTQLQIEISA-N 0 3 287.360 -1.290 20 0 CAADHN CC[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@@H](C)OC)N(C)C ZINC001487950827 893117254 /nfs/dbraw/zinc/11/72/54/893117254.db2.gz CVOMSRIIVHPQBH-VWYCJHECSA-N 0 3 289.376 -1.045 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@H](CO)NC(=O)C(N)=O)C1 ZINC001488097396 893145429 /nfs/dbraw/zinc/14/54/29/893145429.db2.gz DYBMGDIAHTYMPH-RKDXNWHRSA-N 0 3 286.332 -2.593 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NC(=O)[C@@H](C)OC)N(C)C ZINC001488098251 893146372 /nfs/dbraw/zinc/14/63/72/893146372.db2.gz FQAMVROHCGZDQE-MXWKQRLJSA-N 0 3 289.376 -1.045 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001488398146 893157125 /nfs/dbraw/zinc/15/71/25/893157125.db2.gz CDOGXPPSGZAAIF-SECBINFHSA-N 0 3 288.348 -2.251 20 0 CAADHN CCCN(C)CC(=O)N(C)C[C@H](O)CNC(=O)C(N)=O ZINC001488387204 893157373 /nfs/dbraw/zinc/15/73/73/893157373.db2.gz ZXGWUZKJRIPVJI-SECBINFHSA-N 0 3 288.348 -2.251 20 0 CAADHN CCN(C(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C1CC1 ZINC001488525892 893160416 /nfs/dbraw/zinc/16/04/16/893160416.db2.gz QYIDOSLEKCPFDN-MWLCHTKSSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C[C@H]1CC[N@@H+]1CCO)C(=O)Cc1nnc[n-]1 ZINC001488680831 893164449 /nfs/dbraw/zinc/16/44/49/893164449.db2.gz WWDUJEHVBHKWRY-SECBINFHSA-N 0 3 253.306 -1.128 20 0 CAADHN CN(C[C@H]1CC[N@H+]1CCO)C(=O)Cc1nnc[n-]1 ZINC001488680831 893164459 /nfs/dbraw/zinc/16/44/59/893164459.db2.gz WWDUJEHVBHKWRY-SECBINFHSA-N 0 3 253.306 -1.128 20 0 CAADHN CCCN(C)CC(=O)N(C)C1CC(NC(=O)C(N)=O)C1 ZINC001488587886 893165609 /nfs/dbraw/zinc/16/56/09/893165609.db2.gz WICMZJJSROJRFX-UHFFFAOYSA-N 0 3 284.360 -1.081 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001488790645 893167773 /nfs/dbraw/zinc/16/77/73/893167773.db2.gz XZKRWZZTBITNHT-KXUCPTDWSA-N 0 3 292.343 -1.280 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001488790644 893168474 /nfs/dbraw/zinc/16/84/74/893168474.db2.gz XZKRWZZTBITNHT-AEJSXWLSSA-N 0 3 292.343 -1.280 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O ZINC001489044418 893170522 /nfs/dbraw/zinc/17/05/22/893170522.db2.gz UNYSSYQDSDMNEG-BBBLOLIVSA-N 0 3 284.360 -1.177 20 0 CAADHN O=C([C@@H]1CCNC1=O)N1CCC[C@H](N(CCO)CCO)C1 ZINC001489162593 893170695 /nfs/dbraw/zinc/17/06/95/893170695.db2.gz FUXICXCATMFVFP-NWDGAFQWSA-N 0 3 299.371 -1.600 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001488871968 893171543 /nfs/dbraw/zinc/17/15/43/893171543.db2.gz FQDVATXGGAFSKS-OPRDCNLKSA-N 0 3 294.359 -1.034 20 0 CAADHN NC(=O)CN[C@H]1CCCCCN(C(=O)CCNC(N)=O)C1 ZINC001489241734 893175958 /nfs/dbraw/zinc/17/59/58/893175958.db2.gz WACSSBAZBBMCCL-JTQLQIEISA-N 0 3 299.375 -1.109 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O)N(C)C ZINC001489376880 893179194 /nfs/dbraw/zinc/17/91/94/893179194.db2.gz DRWOUXZGJHMKAI-HRDYMLBCSA-N 0 3 286.332 -2.500 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O)N(C)C ZINC001489376881 893179377 /nfs/dbraw/zinc/17/93/77/893179377.db2.gz DRWOUXZGJHMKAI-IWSPIJDZSA-N 0 3 286.332 -2.500 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001489667237 893183855 /nfs/dbraw/zinc/18/38/55/893183855.db2.gz DOJHJSGBFXWZRV-GHMZBOCLSA-N 0 3 296.371 -1.129 20 0 CAADHN CC[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)C(N)=O)N(C)C ZINC001489763712 893188469 /nfs/dbraw/zinc/18/84/69/893188469.db2.gz HVDMTPVPUPKNEL-NXEZZACHSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@@H]2CN(C)C(=O)C(N)=O)C1 ZINC001489779112 893188754 /nfs/dbraw/zinc/18/87/54/893188754.db2.gz YPZWMCXKJJQJMQ-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN CC[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)C(N)=O)N(C)C ZINC001489763713 893189185 /nfs/dbraw/zinc/18/91/85/893189185.db2.gz HVDMTPVPUPKNEL-UWVGGRQHSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)CN(C)CCCNC(=O)Cc1n[nH]c(C)n1 ZINC001490193805 893190706 /nfs/dbraw/zinc/19/07/06/893190706.db2.gz YQXUAFXXCYZUBA-UHFFFAOYSA-N 0 3 282.348 -1.160 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CC(N)=O ZINC001490291679 893196057 /nfs/dbraw/zinc/19/60/57/893196057.db2.gz PNKSAKSHZATDBE-RKDXNWHRSA-N 0 3 270.333 -1.294 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001490291678 893196121 /nfs/dbraw/zinc/19/61/21/893196121.db2.gz PNKSAKSHZATDBE-IUCAKERBSA-N 0 3 270.333 -1.294 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)C(N)=O ZINC001490309280 893202218 /nfs/dbraw/zinc/20/22/18/893202218.db2.gz YMIVGMCAJBYUBE-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CCCNC(=O)CNC(=O)NC)[C@@H]1CCNC1=O ZINC001490330306 893202524 /nfs/dbraw/zinc/20/25/24/893202524.db2.gz SDQCFVDTYGNTGL-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CCN(CCCNC(=O)[C@H]1CCC(=O)N1)[C@H](C)C(N)=O ZINC001490318673 893203401 /nfs/dbraw/zinc/20/34/01/893203401.db2.gz PSZRONCIRBQWEB-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN1CCN(CCCNC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001490473206 893204259 /nfs/dbraw/zinc/20/42/59/893204259.db2.gz GJSCBWGQVKUWMZ-LLVKDONJSA-N 0 3 283.376 -1.188 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001490530113 893205948 /nfs/dbraw/zinc/20/59/48/893205948.db2.gz KVNRXXHTYSTEMH-ZJUUUORDSA-N 0 3 292.343 -1.169 20 0 CAADHN NC(=O)C(=O)NCCN1CCN(CC2CC2)CC1 ZINC001490500303 893209903 /nfs/dbraw/zinc/20/99/03/893209903.db2.gz CGQCEOSMZVLMGB-UHFFFAOYSA-N 0 3 254.334 -1.385 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001490648397 893211171 /nfs/dbraw/zinc/21/11/71/893211171.db2.gz JUPDNLMXMKCWTM-RKDXNWHRSA-N 0 3 268.317 -1.765 20 0 CAADHN CN(C(=O)CN[C@@H](CNC(=O)CC(N)=O)C1CC1)C1CC1 ZINC001490648848 893211298 /nfs/dbraw/zinc/21/12/98/893211298.db2.gz NEJAEAPCTTZNDI-NSHDSACASA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CC(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001490648395 893212458 /nfs/dbraw/zinc/21/24/58/893212458.db2.gz JUPDNLMXMKCWTM-IUCAKERBSA-N 0 3 268.317 -1.765 20 0 CAADHN NC(=O)C[NH2+][C@H](CNC(=O)CCc1nnc[n-]1)C1CC1 ZINC001490663537 893213488 /nfs/dbraw/zinc/21/34/88/893213488.db2.gz CWUXFYJWBYPWHN-SECBINFHSA-N 0 3 280.332 -1.293 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](NCC(=O)NC(N)=O)C1CC1 ZINC001490638456 893213961 /nfs/dbraw/zinc/21/39/61/893213961.db2.gz MCISINZVJRMVLP-IONNQARKSA-N 0 3 286.332 -1.299 20 0 CAADHN COCC(=O)NC[C@@H](NCC(=O)NC(N)=O)C1CC1 ZINC001490622654 893215816 /nfs/dbraw/zinc/21/58/16/893215816.db2.gz BYDHLNKPTHDPDO-MRVPVSSYSA-N 0 3 272.305 -1.688 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](NCC(=O)NC(N)=O)C1CC1 ZINC001490638455 893215963 /nfs/dbraw/zinc/21/59/63/893215963.db2.gz MCISINZVJRMVLP-CBAPKCEASA-N 0 3 286.332 -1.299 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@H]1CCN(CCO)C1 ZINC001490549785 893216387 /nfs/dbraw/zinc/21/63/87/893216387.db2.gz HFYAELLHIDBUNY-JTQLQIEISA-N 0 3 286.332 -2.579 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001490659617 893216522 /nfs/dbraw/zinc/21/65/22/893216522.db2.gz NBEWRNUQYPOLRO-JGVFFNPUSA-N 0 3 270.289 -1.936 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)c1cnn(C)n1)C1CC1)C(N)=O ZINC001490722104 893217632 /nfs/dbraw/zinc/21/76/32/893217632.db2.gz IKSXWENUWIZWID-APPZFPTMSA-N 0 3 280.332 -1.213 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)C1(C(N)=O)CC1)C1CC1)C(N)=O ZINC001490700543 893217095 /nfs/dbraw/zinc/21/70/95/893217095.db2.gz LYMBLNGIGFBNQG-APPZFPTMSA-N 0 3 282.344 -1.390 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 ZINC001490750024 893217139 /nfs/dbraw/zinc/21/71/39/893217139.db2.gz SRSCAKAHAPJUKR-UWVGGRQHSA-N 0 3 297.359 -1.501 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](NCC(N)=O)C2CC2)n1 ZINC001490696706 893217177 /nfs/dbraw/zinc/21/71/77/893217177.db2.gz MHNXXLHUSLFAGV-ZETCQYMHSA-N 0 3 267.293 -2.207 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CN1CCCCC1=O)C1CC1 ZINC001490680742 893217231 /nfs/dbraw/zinc/21/72/31/893217231.db2.gz FDVMOWDAXNQQLO-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001490697873 893217747 /nfs/dbraw/zinc/21/77/47/893217747.db2.gz BLDWDGYZFZMDRE-VHSXEESVSA-N 0 3 282.344 -1.423 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](NCC(N)=O)C2CC2)n1 ZINC001490696702 893217995 /nfs/dbraw/zinc/21/79/95/893217995.db2.gz MHNXXLHUSLFAGV-SSDOTTSWSA-N 0 3 267.293 -2.207 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)C1=O ZINC001490700649 893218037 /nfs/dbraw/zinc/21/80/37/893218037.db2.gz PZKMCTKQFWABOL-ZJUUUORDSA-N 0 3 282.344 -1.566 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)Cc1ncc[nH]1)C1CC1 ZINC001490721887 893218446 /nfs/dbraw/zinc/21/84/46/893218446.db2.gz HUQCLPXPBRKXKO-VIFPVBQESA-N 0 3 265.317 -1.078 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001490700827 893218618 /nfs/dbraw/zinc/21/86/18/893218618.db2.gz NZAFGLQLPMMUOO-PSASIEDQSA-N 0 3 296.371 -1.129 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001490698575 893219010 /nfs/dbraw/zinc/21/90/10/893219010.db2.gz HYTJGOPPCSTQLV-NXEZZACHSA-N 0 3 297.359 -1.760 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001490700834 893219116 /nfs/dbraw/zinc/21/91/16/893219116.db2.gz NZAFGLQLPMMUOO-WCBMZHEXSA-N 0 3 296.371 -1.129 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001490700080 893219189 /nfs/dbraw/zinc/21/91/89/893219189.db2.gz INGOYVAJDZIMLD-SECBINFHSA-N 0 3 282.344 -1.518 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)c1nnn(C)n1)C1CC1 ZINC001490697801 893219247 /nfs/dbraw/zinc/21/92/47/893219247.db2.gz ZPFYCJNUFLZTTE-VIFPVBQESA-N 0 3 295.347 -1.604 20 0 CAADHN NC(=O)C(=O)NC[C@@H](N[C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001490699856 893219734 /nfs/dbraw/zinc/21/97/34/893219734.db2.gz HRWKWCWAAJTCOK-HTQZYQBOSA-N 0 3 282.300 -2.239 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)c1nnn(C)n1)C1CC1 ZINC001490697800 893220136 /nfs/dbraw/zinc/22/01/36/893220136.db2.gz ZPFYCJNUFLZTTE-SECBINFHSA-N 0 3 295.347 -1.604 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)C1(C(N)=O)CC1)C1CC1)C(N)=O ZINC001490700548 893220304 /nfs/dbraw/zinc/22/03/04/893220304.db2.gz LYMBLNGIGFBNQG-CBAPKCEASA-N 0 3 282.344 -1.390 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001490818660 893221762 /nfs/dbraw/zinc/22/17/62/893221762.db2.gz NUNORHJTKLUAND-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1)C(N)=O ZINC001490845227 893222683 /nfs/dbraw/zinc/22/26/83/893222683.db2.gz PTDIDUFVLMNXIZ-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001490819828 893223048 /nfs/dbraw/zinc/22/30/48/893223048.db2.gz SUCBGQIYMOEJGS-FXQIFTODSA-N 0 3 271.321 -1.893 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001490836572 893223880 /nfs/dbraw/zinc/22/38/80/893223880.db2.gz NOQJUGLQPSPIGE-YUMQZZPRSA-N 0 3 297.315 -2.492 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@H](CC)C(N)=O)C1 ZINC001490816119 893224057 /nfs/dbraw/zinc/22/40/57/893224057.db2.gz AZUCQMXHBYMLTA-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](N[C@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C1)C(N)=O ZINC001490904519 893224366 /nfs/dbraw/zinc/22/43/66/893224366.db2.gz ZELTUZIBMYOEDR-IWSPIJDZSA-N 0 3 291.373 -1.468 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001490835991 893225213 /nfs/dbraw/zinc/22/52/13/893225213.db2.gz ZERHWOVUZWVWAD-QMMMGPOBSA-N 0 3 266.305 -1.337 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2nonc2C)C1 ZINC001490860116 893225252 /nfs/dbraw/zinc/22/52/52/893225252.db2.gz FRBMXHMCXBFQJK-QMMMGPOBSA-N 0 3 267.289 -1.072 20 0 CAADHN CC(=O)NCC(=O)N[C@H]1C[C@@H](NCCS(C)(=O)=O)C1 ZINC001490989859 893226946 /nfs/dbraw/zinc/22/69/46/893226946.db2.gz OBCHNLNLVRQDPF-AOOOYVTPSA-N 0 3 291.373 -1.596 20 0 CAADHN CS(=O)(=O)CCN[C@H]1C[C@@H](NC(=O)CC(N)=O)C1 ZINC001491004689 893229838 /nfs/dbraw/zinc/22/98/38/893229838.db2.gz KSJVQIMMLRJYCO-OCAPTIKFSA-N 0 3 277.346 -1.857 20 0 CAADHN C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2nnc[n-]2)C1)C(N)=O ZINC001491009638 893230738 /nfs/dbraw/zinc/23/07/38/893230738.db2.gz HXGXTEJYUABSBS-XHNCKOQMSA-N 0 3 280.332 -1.152 20 0 CAADHN C[C@H](C(=O)N[C@H]1C[C@@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001491030276 893231695 /nfs/dbraw/zinc/23/16/95/893231695.db2.gz SAZKVQJYMUEMDB-PRJMDXOYSA-N 0 3 277.346 -1.858 20 0 CAADHN C[C@@H](C(=O)N[C@H]1C[C@@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001491030216 893232266 /nfs/dbraw/zinc/23/22/66/893232266.db2.gz SAZKVQJYMUEMDB-BIIVOSGPSA-N 0 3 277.346 -1.858 20 0 CAADHN CN1CCC[C@H](N2CCC[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001491121558 893241450 /nfs/dbraw/zinc/24/14/50/893241450.db2.gz ZDJNIBLTNVPPBZ-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CN1CCC[C@H](N2CCC[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001491121557 893243146 /nfs/dbraw/zinc/24/31/46/893243146.db2.gz ZDJNIBLTNVPPBZ-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNC(=O)[C@H]2COCCO2)C1 ZINC001491129544 893244982 /nfs/dbraw/zinc/24/49/82/893244982.db2.gz ZVJNGNVTXBXJRJ-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)NCCNC(=O)CC(N)=O ZINC001491194815 893252247 /nfs/dbraw/zinc/25/22/47/893252247.db2.gz ZGAOPRKIOVSDLO-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN Cn1cnn(CC(=O)NC[C@H]2CCCCN2CCO)c1=O ZINC001491215482 893252494 /nfs/dbraw/zinc/25/24/94/893252494.db2.gz XWTPBNLMQJDUOJ-LLVKDONJSA-N 0 3 297.359 -1.455 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001491244170 893255756 /nfs/dbraw/zinc/25/57/56/893255756.db2.gz DZCVRFSYDORGEZ-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)C1(NC(N)=O)CC1)N(C)C ZINC001491238524 893257288 /nfs/dbraw/zinc/25/72/88/893257288.db2.gz LRNLKJIEXDTIEF-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)NCC(=O)NCCNC(=O)CN1CCC[C@@H]1C ZINC001491361106 893263542 /nfs/dbraw/zinc/26/35/42/893263542.db2.gz JYKYIIWISSQWHS-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)NCC(=O)NC(C)C ZINC001491404149 893265918 /nfs/dbraw/zinc/26/59/18/893265918.db2.gz QUEWFGWMMNLOCA-VIFPVBQESA-N 0 3 288.348 -1.039 20 0 CAADHN CCOCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC(=O)NC ZINC001491388196 893266481 /nfs/dbraw/zinc/26/64/81/893266481.db2.gz MUCBYVXWMIPMKS-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CCOCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC(N)=O ZINC001491388578 893266764 /nfs/dbraw/zinc/26/67/64/893266764.db2.gz ORIVTBKURIKUQE-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCCNC1=O ZINC001491400142 893268008 /nfs/dbraw/zinc/26/80/08/893268008.db2.gz BNTWTANFOGXTOV-BDAKNGLRSA-N 0 3 286.332 -1.285 20 0 CAADHN Cc1c(C(=O)NC[C@H](C)NCC(N)=O)cnn1C ZINC001491392334 893268942 /nfs/dbraw/zinc/26/89/42/893268942.db2.gz JGOVWFGHWIIXSH-ZETCQYMHSA-N 0 3 253.306 -1.078 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CN(C)C(C)=O ZINC001491398742 893268967 /nfs/dbraw/zinc/26/89/67/893268967.db2.gz LLFNPWNFRSFNLQ-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC001491379397 893269126 /nfs/dbraw/zinc/26/91/26/893269126.db2.gz PLIOCQXCRFVNRL-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C1=COCCO1 ZINC001491388219 893269289 /nfs/dbraw/zinc/26/92/89/893269289.db2.gz NBCYXVYTTLWPAC-QMMMGPOBSA-N 0 3 257.290 -1.285 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCCNC1=O ZINC001491400146 893270111 /nfs/dbraw/zinc/27/01/11/893270111.db2.gz BNTWTANFOGXTOV-DTWKUNHWSA-N 0 3 286.332 -1.285 20 0 CAADHN CNC(=O)CCCC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001491436493 893270815 /nfs/dbraw/zinc/27/08/15/893270815.db2.gz ABNVGJHMURXOFO-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@H](CNC(=O)CCn1ccnn1)N[C@H]1CCN(C)C1=O ZINC001491433573 893271020 /nfs/dbraw/zinc/27/10/20/893271020.db2.gz ARLGMRWIDPSCKJ-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN Cc1c(C(=O)NC[C@H](C)N[C@@H](C)C(N)=O)nnn1C ZINC001491420290 893271147 /nfs/dbraw/zinc/27/11/47/893271147.db2.gz HTDYDEXSNVIPPN-BQBZGAKWSA-N 0 3 268.321 -1.295 20 0 CAADHN C[C@@H](CNC(=O)c1cocn1)NCCNS(C)(=O)=O ZINC001491413621 893271788 /nfs/dbraw/zinc/27/17/88/893271788.db2.gz FVJNDSIGWLGGNR-QMMMGPOBSA-N 0 3 290.345 -1.068 20 0 CAADHN Cc1c(C(=O)NC[C@@H](C)N[C@H](C)C(N)=O)nnn1C ZINC001491420292 893271828 /nfs/dbraw/zinc/27/18/28/893271828.db2.gz HTDYDEXSNVIPPN-RNFRBKRXSA-N 0 3 268.321 -1.295 20 0 CAADHN C[C@H](CNC(=O)CCn1ccnn1)NCC(N)=O ZINC001491436443 893271912 /nfs/dbraw/zinc/27/19/12/893271912.db2.gz YXADWWNUTORSMY-MRVPVSSYSA-N 0 3 254.294 -1.752 20 0 CAADHN C[C@@H](CNC(=O)c1cncnc1)N[C@H]1CCC(=O)NC1=O ZINC001491437155 893272231 /nfs/dbraw/zinc/27/22/31/893272231.db2.gz HSCROKWVIKBGKY-WPRPVWTQSA-N 0 3 291.311 -1.010 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@@H](C)NCC(N)=O ZINC001491414477 893272409 /nfs/dbraw/zinc/27/24/09/893272409.db2.gz UVPWUWCTJTZMBR-SSDOTTSWSA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001491415876 893272618 /nfs/dbraw/zinc/27/26/18/893272618.db2.gz VBUAHDPILDBNEV-RKDXNWHRSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](CNC(=O)c1nccnc1N)N[C@H]1CCNC1=O ZINC001491417029 893272881 /nfs/dbraw/zinc/27/28/81/893272881.db2.gz CPEZXMZPKCPGLQ-YUMQZZPRSA-N 0 3 278.316 -1.345 20 0 CAADHN C[C@H](CNC(=O)C(=O)C(C)(C)C)NCC(=O)NC(N)=O ZINC001491414885 893273447 /nfs/dbraw/zinc/27/34/47/893273447.db2.gz YBGQPQDYUOLJNM-SSDOTTSWSA-N 0 3 286.332 -1.109 20 0 CAADHN C[C@@H](CNC(=O)CCn1ccnn1)N[C@@H]1CCN(C)C1=O ZINC001491433576 893273728 /nfs/dbraw/zinc/27/37/28/893273728.db2.gz ARLGMRWIDPSCKJ-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CNC(=O)CC ZINC001491412773 893274472 /nfs/dbraw/zinc/27/44/72/893274472.db2.gz AHDGTPIMTAYZIV-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001491446553 893275569 /nfs/dbraw/zinc/27/55/69/893275569.db2.gz FTOHOYUOSLYATB-DTWKUNHWSA-N 0 3 280.332 -1.106 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001491446555 893275908 /nfs/dbraw/zinc/27/59/08/893275908.db2.gz FTOHOYUOSLYATB-RKDXNWHRSA-N 0 3 280.332 -1.106 20 0 CAADHN Cc1cncn1CC(=O)NCCNC(=O)c1ncn[nH]1 ZINC001491461050 893276223 /nfs/dbraw/zinc/27/62/23/893276223.db2.gz CPFYZADFGMLDMP-UHFFFAOYSA-N 0 3 277.288 -1.144 20 0 CAADHN Cc1cncn1CC(=O)NCCNC(=O)c1nc[nH]n1 ZINC001491461050 893276238 /nfs/dbraw/zinc/27/62/38/893276238.db2.gz CPFYZADFGMLDMP-UHFFFAOYSA-N 0 3 277.288 -1.144 20 0 CAADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)NCC(=O)N(C)C ZINC001491455845 893277122 /nfs/dbraw/zinc/27/71/22/893277122.db2.gz UZWXFJZHIPJOGP-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)NCc1cncn1C ZINC001491473963 893277286 /nfs/dbraw/zinc/27/72/86/893277286.db2.gz PPNWJSAWMBHAKU-VIFPVBQESA-N 0 3 282.348 -1.057 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)N[C@H]1CCC(=O)NC1=O ZINC001491448558 893277327 /nfs/dbraw/zinc/27/73/27/893277327.db2.gz QXGGYJWUHKGYBQ-YUMQZZPRSA-N 0 3 294.315 -1.672 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CO[C@H]1CCOC1 ZINC001491455462 893277544 /nfs/dbraw/zinc/27/75/44/893277544.db2.gz RGRJUSGXDLXCLI-UWVGGRQHSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@H](CNC(=O)CC(C)(C)O)NCC(=O)NC(N)=O ZINC001491441792 893278172 /nfs/dbraw/zinc/27/81/72/893278172.db2.gz BMRYVLCSIMVCDC-SSDOTTSWSA-N 0 3 274.321 -1.563 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](C)N[C@@H](C)C(N)=O)C1 ZINC001491442565 893278353 /nfs/dbraw/zinc/27/83/53/893278353.db2.gz SUUDQQFCCQZHSZ-SFYZADRCSA-N 0 3 270.333 -1.567 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)N[C@@H]1CCC(=O)NC1=O ZINC001491448550 893278674 /nfs/dbraw/zinc/27/86/74/893278674.db2.gz QXGGYJWUHKGYBQ-JGVFFNPUSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)N1CCCC1)N[C@H](C)C(N)=O ZINC001491453627 893279199 /nfs/dbraw/zinc/27/91/99/893279199.db2.gz BZSKGTSBBKIKTD-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CC(=O)NC[C@H](C)NCC(=O)N(C)C)NC(N)=O ZINC001491455843 893279236 /nfs/dbraw/zinc/27/92/36/893279236.db2.gz UZWXFJZHIPJOGP-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001491496173 893280436 /nfs/dbraw/zinc/28/04/36/893280436.db2.gz URVDPWPZTXPJLB-TVQRCGJNSA-N 0 3 284.360 -1.257 20 0 CAADHN Cc1c(CC(=O)NC[C@@H](C)NCC(N)=O)cnn1C ZINC001491476435 893280861 /nfs/dbraw/zinc/28/08/61/893280861.db2.gz IJPJWQLMXHGVFQ-MRVPVSSYSA-N 0 3 267.333 -1.149 20 0 CAADHN Cc1nc[nH]c1CC(=O)NCCNC(=O)c1ncn[nH]1 ZINC001491497244 893280913 /nfs/dbraw/zinc/28/09/13/893280913.db2.gz IJDZNEBIWZPNGT-UHFFFAOYSA-N 0 3 277.288 -1.075 20 0 CAADHN Cc1nc[nH]c1CC(=O)NCCNC(=O)c1nc[nH]n1 ZINC001491497244 893280924 /nfs/dbraw/zinc/28/09/24/893280924.db2.gz IJDZNEBIWZPNGT-UHFFFAOYSA-N 0 3 277.288 -1.075 20 0 CAADHN C[C@H](CNC(=O)Cc1cncs1)NCC(=O)NC(N)=O ZINC001491491382 893281316 /nfs/dbraw/zinc/28/13/16/893281316.db2.gz PDRCIQLJUHECCA-SSDOTTSWSA-N 0 3 299.356 -1.025 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)C(N)=O)N[C@@H]1CCC(=O)NC1=O ZINC001491490856 893281525 /nfs/dbraw/zinc/28/15/25/893281525.db2.gz MQDCNCGYSVELCQ-HTQZYQBOSA-N 0 3 298.343 -1.603 20 0 CAADHN C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)NCC(N)=O ZINC001491477874 893281633 /nfs/dbraw/zinc/28/16/33/893281633.db2.gz NIQYTWRQCVGHAO-QMMMGPOBSA-N 0 3 280.332 -1.265 20 0 CAADHN C[C@H](CNC(=O)CCCN1C(=O)CCC1=O)NCC(N)=O ZINC001491475310 893281771 /nfs/dbraw/zinc/28/17/71/893281771.db2.gz YBCRALVYLMXMFG-SECBINFHSA-N 0 3 298.343 -1.505 20 0 CAADHN C[C@@H](CNC(=O)c1ccnc2ccnn21)NCC(N)=O ZINC001491479029 893282065 /nfs/dbraw/zinc/28/20/65/893282065.db2.gz ULQKCZHTCNCVEB-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN Cc1ncc(CC(=O)NC[C@@H](C)NCC(=O)NC(N)=O)o1 ZINC001491478772 893282244 /nfs/dbraw/zinc/28/22/44/893282244.db2.gz SLCNKRUNQLTRCW-SSDOTTSWSA-N 0 3 297.315 -1.185 20 0 CAADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)NCC(=O)NC1CC1 ZINC001491477221 893282659 /nfs/dbraw/zinc/28/26/59/893282659.db2.gz GYUIKSWASRAXOG-VHSXEESVSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)NCC(=O)NC(C)C ZINC001491475184 893282696 /nfs/dbraw/zinc/28/26/96/893282696.db2.gz XICBAZAADHGSLL-SECBINFHSA-N 0 3 287.364 -1.466 20 0 CAADHN C[C@H](CNC(=O)c1ccnc2ccnn21)NCC(N)=O ZINC001491479027 893282735 /nfs/dbraw/zinc/28/27/35/893282735.db2.gz ULQKCZHTCNCVEB-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](CNC(=O)COCc1ccnn1C)N[C@@H](C)C(N)=O ZINC001491497484 893282900 /nfs/dbraw/zinc/28/29/00/893282900.db2.gz TWYYJDKBLNNPNU-UWVGGRQHSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@H](CNC(=O)c1cnc2n[nH]nc2c1)N[C@H](C)C(N)=O ZINC001491483159 893282958 /nfs/dbraw/zinc/28/29/58/893282958.db2.gz ZTLPVHDTNCGWDK-RNFRBKRXSA-N 0 3 291.315 -1.065 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCNC1=O ZINC001491490793 893283063 /nfs/dbraw/zinc/28/30/63/893283063.db2.gz LIJKXMMSOJHEKY-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN Cc1cc(OCC(=O)NC[C@H](C)NCC(N)=O)no1 ZINC001491488916 893283159 /nfs/dbraw/zinc/28/31/59/893283159.db2.gz BUZFYNDNKNNODX-ZETCQYMHSA-N 0 3 270.289 -1.059 20 0 CAADHN C[C@@H](CNC(=O)C(C)(C)C(N)=O)N[C@H]1CCC(=O)NC1=O ZINC001491490872 893283247 /nfs/dbraw/zinc/28/32/47/893283247.db2.gz MQDCNCGYSVELCQ-YUMQZZPRSA-N 0 3 298.343 -1.603 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(=O)NC(N)=O ZINC001491475431 893283372 /nfs/dbraw/zinc/28/33/72/893283372.db2.gz YPIYFZXLXPKOTB-YUMQZZPRSA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@@H](CNC(=O)C(C)(C)C(N)=O)NCC(=O)NC1CC1 ZINC001491490817 893283432 /nfs/dbraw/zinc/28/34/32/893283432.db2.gz LPAROHAWEGAYHJ-QMMMGPOBSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(=O)NC(N)=O ZINC001491475428 893283488 /nfs/dbraw/zinc/28/34/88/893283488.db2.gz YPIYFZXLXPKOTB-SFYZADRCSA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@H](CNC(=O)C[C@H]1CCCC(=O)N1)NCC(N)=O ZINC001491517983 893284361 /nfs/dbraw/zinc/28/43/61/893284361.db2.gz BNKZMMMMPSLAFB-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001491504388 893285449 /nfs/dbraw/zinc/28/54/49/893285449.db2.gz FJWRUMWQIXCBQM-SECBINFHSA-N 0 3 298.347 -2.188 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001491503542 893285503 /nfs/dbraw/zinc/28/55/03/893285503.db2.gz BBMVTEYIJDHEGM-NXEZZACHSA-N 0 3 272.349 -1.713 20 0 CAADHN COc1coc(C(=O)NC[C@@H](C)NCC(N)=O)cc1=O ZINC001491530374 893285561 /nfs/dbraw/zinc/28/55/61/893285561.db2.gz WDMMHSYFTUIDGD-SSDOTTSWSA-N 0 3 283.284 -1.158 20 0 CAADHN C[C@@H](CNC(=O)c1cncn1C)N[C@H]1CCC(=O)NC1=O ZINC001491518402 893285979 /nfs/dbraw/zinc/28/59/79/893285979.db2.gz VBQVVVSRJOICFU-IUCAKERBSA-N 0 3 293.327 -1.067 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N[C@@H]1CCNC1=O ZINC001491511259 893286248 /nfs/dbraw/zinc/28/62/48/893286248.db2.gz ZSCSJBXBAVONAC-MWLCHTKSSA-N 0 3 292.339 -1.018 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001491503543 893286723 /nfs/dbraw/zinc/28/67/23/893286723.db2.gz BBMVTEYIJDHEGM-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN C[C@H](CNC(=O)c1cncn1C)N[C@H]1CCC(=O)NC1=O ZINC001491518398 893287239 /nfs/dbraw/zinc/28/72/39/893287239.db2.gz VBQVVVSRJOICFU-BDAKNGLRSA-N 0 3 293.327 -1.067 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001491504389 893287460 /nfs/dbraw/zinc/28/74/60/893287460.db2.gz FJWRUMWQIXCBQM-VIFPVBQESA-N 0 3 298.347 -2.188 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001491549267 893288601 /nfs/dbraw/zinc/28/86/01/893288601.db2.gz XISAVNGIVZRPEG-YUMQZZPRSA-N 0 3 271.321 -2.150 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001491549261 893289456 /nfs/dbraw/zinc/28/94/56/893289456.db2.gz XISAVNGIVZRPEG-HTQZYQBOSA-N 0 3 271.321 -2.150 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001491545638 893289695 /nfs/dbraw/zinc/28/96/95/893289695.db2.gz DGXSHDLKEAJUOG-VHSXEESVSA-N 0 3 299.375 -2.353 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001491550115 893289976 /nfs/dbraw/zinc/28/99/76/893289976.db2.gz WCRGPDSIDCCDFV-VIFPVBQESA-N 0 3 285.348 -2.742 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)CC(N)=O)NCC(=O)N(C)C ZINC001491545836 893290120 /nfs/dbraw/zinc/29/01/20/893290120.db2.gz FGKIPZNFMNVITB-RKDXNWHRSA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)NCC(=O)N(C)C ZINC001491546990 893290244 /nfs/dbraw/zinc/29/02/44/893290244.db2.gz JJYVEAWYDWUOAY-SNVBAGLBSA-N 0 3 299.375 -2.399 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001491549262 893290545 /nfs/dbraw/zinc/29/05/45/893290545.db2.gz XISAVNGIVZRPEG-JGVFFNPUSA-N 0 3 271.321 -2.150 20 0 CAADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)NCC(=O)N(C)C ZINC001491546988 893290807 /nfs/dbraw/zinc/29/08/07/893290807.db2.gz JJYVEAWYDWUOAY-JTQLQIEISA-N 0 3 299.375 -2.399 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001491550453 893291208 /nfs/dbraw/zinc/29/12/08/893291208.db2.gz XHSXSQPGQVELNY-HTQZYQBOSA-N 0 3 256.306 -2.037 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(=O)NC1CC1 ZINC001491549070 893291619 /nfs/dbraw/zinc/29/16/19/893291619.db2.gz VPZULJRIJHGYBO-PSASIEDQSA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)NCC(N)=O ZINC001491561279 893292157 /nfs/dbraw/zinc/29/21/57/893292157.db2.gz YCUKFODDHPQJMC-PELKAZGASA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)NCC(N)=O ZINC001491561289 893292766 /nfs/dbraw/zinc/29/27/66/893292766.db2.gz YCUKFODDHPQJMC-UFBFGSQYSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](CNC(=O)[C@@]1(C)CCNC1=O)NCC(=O)NC1CC1 ZINC001491574522 893292864 /nfs/dbraw/zinc/29/28/64/893292864.db2.gz HUZFVRBPSCLMBE-OTYXRUKQSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCc1cnn(C)n1)C(N)=O ZINC001491580972 893293020 /nfs/dbraw/zinc/29/30/20/893293020.db2.gz YITAXEKZDINARA-DTWKUNHWSA-N 0 3 282.348 -1.284 20 0 CAADHN C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N[C@H](C)C(=O)NC(N)=O ZINC001491559649 893293100 /nfs/dbraw/zinc/29/31/00/893293100.db2.gz QGXNOLTXKHAESS-VFCFLDTKSA-N 0 3 298.343 -1.444 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)NCCS(C)(=O)=O ZINC001491556827 893294313 /nfs/dbraw/zinc/29/43/13/893294313.db2.gz ZZGRJHCVVCCAQW-SSDOTTSWSA-N 0 3 290.349 -2.037 20 0 CAADHN C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)NCC(=O)NC1CC1 ZINC001491574519 893294506 /nfs/dbraw/zinc/29/45/06/893294506.db2.gz HUZFVRBPSCLMBE-LKFCYVNXSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCN(C)C1=O ZINC001491558914 893294603 /nfs/dbraw/zinc/29/46/03/893294603.db2.gz NMMGLBJDNKIPCV-DTWKUNHWSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N[C@@H]1CCNC1=O ZINC001491579850 893294957 /nfs/dbraw/zinc/29/49/57/893294957.db2.gz PFUZNLOKZPQEMJ-OIBJUYFYSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N[C@H]1CCNC1=O ZINC001491579851 893295650 /nfs/dbraw/zinc/29/56/50/893295650.db2.gz PFUZNLOKZPQEMJ-XCBNKYQSSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@@H](CNC(=O)CC[NH+](C)C)NCc1nc(=O)n(C)[n-]1 ZINC001491567191 893295988 /nfs/dbraw/zinc/29/59/88/893295988.db2.gz DGVPEEQDBCCCHH-VIFPVBQESA-N 0 3 284.364 -1.346 20 0 CAADHN C[C@@H](CNC(=O)CCn1cnnn1)N[C@@H]1CCNC1=O ZINC001491617834 893297463 /nfs/dbraw/zinc/29/74/63/893297463.db2.gz KNZWJEHZPLQPAU-DTWKUNHWSA-N 0 3 281.320 -1.954 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)C1(C(=O)NC)CC1)C(N)=O ZINC001491608166 893297707 /nfs/dbraw/zinc/29/77/07/893297707.db2.gz MCEKMWUDGSPXAW-IUCAKERBSA-N 0 3 284.360 -1.129 20 0 CAADHN Cc1ccn(CC(=O)NC[C@H](C)NCC(N)=O)c(=O)c1 ZINC001491597342 893297785 /nfs/dbraw/zinc/29/77/85/893297785.db2.gz ZUZKHDPJFZZFTB-JTQLQIEISA-N 0 3 280.328 -1.264 20 0 CAADHN C[C@H](CNC(=O)Cc1c[nH]cn1)N[C@@H](C)C(N)=O ZINC001491590123 893297868 /nfs/dbraw/zinc/29/78/68/893297868.db2.gz MGSILTYUSVBJMQ-SFYZADRCSA-N 0 3 253.306 -1.080 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NC[C@H](C)NCC(=O)NC ZINC001491587749 893297889 /nfs/dbraw/zinc/29/78/89/893297889.db2.gz LYDIJUIIGDINSU-WCBMZHEXSA-N 0 3 272.349 -1.259 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)C1(C(=O)NC)CC1)C(N)=O ZINC001491608164 893298033 /nfs/dbraw/zinc/29/80/33/893298033.db2.gz MCEKMWUDGSPXAW-DTWKUNHWSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)C1(C(=O)NC)CC1)C(N)=O ZINC001491608162 893298371 /nfs/dbraw/zinc/29/83/71/893298371.db2.gz MCEKMWUDGSPXAW-BDAKNGLRSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](CNC(=O)CCn1cnnn1)N[C@H]1CCNC1=O ZINC001491617833 893298865 /nfs/dbraw/zinc/29/88/65/893298865.db2.gz KNZWJEHZPLQPAU-BDAKNGLRSA-N 0 3 281.320 -1.954 20 0 CAADHN COCCn1cc(C(=O)NC[C@@H](C)NCC(N)=O)cn1 ZINC001491654935 893301258 /nfs/dbraw/zinc/30/12/58/893301258.db2.gz PYIIYXZRRDQVKT-SECBINFHSA-N 0 3 283.332 -1.277 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cc1cncn1C)C(N)=O ZINC001491640576 893301406 /nfs/dbraw/zinc/30/14/06/893301406.db2.gz UQXWQXISLXEAEC-DTWKUNHWSA-N 0 3 267.333 -1.069 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)Cn1ccccc1=O ZINC001491667013 893301675 /nfs/dbraw/zinc/30/16/75/893301675.db2.gz IIKBBBYUGZOKNY-SNVBAGLBSA-N 0 3 280.328 -1.311 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)Cn1ccccc1=O ZINC001491667012 893302901 /nfs/dbraw/zinc/30/29/01/893302901.db2.gz IIKBBBYUGZOKNY-JTQLQIEISA-N 0 3 280.328 -1.311 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)NCC(=O)N1CCC1 ZINC001491663720 893303505 /nfs/dbraw/zinc/30/35/05/893303505.db2.gz DVDGGTRTTQZZKJ-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN C[C@H](CNC(=O)Cc1cncn1C)N[C@H](C)C(N)=O ZINC001491640579 893303906 /nfs/dbraw/zinc/30/39/06/893303906.db2.gz UQXWQXISLXEAEC-RKDXNWHRSA-N 0 3 267.333 -1.069 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001491667576 893304203 /nfs/dbraw/zinc/30/42/03/893304203.db2.gz PLTYZQKJCHDKTM-IUCAKERBSA-N 0 3 298.343 -1.636 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001491640459 893304704 /nfs/dbraw/zinc/30/47/04/893304704.db2.gz SWPATINZUHSPGP-MRVPVSSYSA-N 0 3 299.331 -2.279 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1nonc1C ZINC001491693797 893305734 /nfs/dbraw/zinc/30/57/34/893305734.db2.gz JNPOIDGYPMVIBK-ZCFIWIBFSA-N 0 3 255.278 -1.168 20 0 CAADHN C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)NCCF ZINC001491682732 893306321 /nfs/dbraw/zinc/30/63/21/893306321.db2.gz OUUGQPIXGUVXPP-SSDOTTSWSA-N 0 3 272.284 -1.559 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](C)NCC(=O)NC ZINC001491681090 893308059 /nfs/dbraw/zinc/30/80/59/893308059.db2.gz BWTSBRNOZINSIU-QMMMGPOBSA-N 0 3 279.362 -1.739 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1nonc1C ZINC001491693796 893308684 /nfs/dbraw/zinc/30/86/84/893308684.db2.gz JNPOIDGYPMVIBK-LURJTMIESA-N 0 3 255.278 -1.168 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001491759076 893310101 /nfs/dbraw/zinc/31/01/01/893310101.db2.gz MFTQIAYORICPDV-ZETCQYMHSA-N 0 3 253.262 -1.380 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCCCC(N)=O)C1 ZINC001491761959 893311878 /nfs/dbraw/zinc/31/18/78/893311878.db2.gz PNYFFUAQFQKMKV-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CCN(CC)CC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001491832036 893314906 /nfs/dbraw/zinc/31/49/06/893314906.db2.gz IVAIONYZWMCQIN-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CCN(CC)CC(=O)N1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001491964961 893319215 /nfs/dbraw/zinc/31/92/15/893319215.db2.gz XHZGJLSXKQVATI-SNVBAGLBSA-N 0 3 284.360 -1.127 20 0 CAADHN C[C@H](CCNC(=O)Cc1nnc[n-]1)[NH2+][C@H]1CCNC1=O ZINC001492109683 893322509 /nfs/dbraw/zinc/32/25/09/893322509.db2.gz WXXHDGURDYWENT-BDAKNGLRSA-N 0 3 280.332 -1.280 20 0 CAADHN NC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@H]1CCNC1=O ZINC001492164218 893326612 /nfs/dbraw/zinc/32/66/12/893326612.db2.gz TWITUWPVZLLFHP-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CN1CCC[C@H]1CCCNC(=O)[C@@H]1CCNC1=O ZINC001492164216 893329890 /nfs/dbraw/zinc/32/98/90/893329890.db2.gz TWITUWPVZLLFHP-MNOVXSKESA-N 0 3 296.371 -1.031 20 0 CAADHN CN(CCNC(=O)CC(N)=O)C[C@H](O)Cn1cccn1 ZINC001492218958 893331580 /nfs/dbraw/zinc/33/15/80/893331580.db2.gz LPWXMFLISCGRRS-JTQLQIEISA-N 0 3 283.332 -1.833 20 0 CAADHN CN(CCCO)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001492227970 893333279 /nfs/dbraw/zinc/33/32/79/893333279.db2.gz VMIFHZDHLUROKB-JTQLQIEISA-N 0 3 257.334 -1.057 20 0 CAADHN CN(CCCO)CCNC(=O)CN1CCNC(=O)C1 ZINC001492371022 893348438 /nfs/dbraw/zinc/34/84/38/893348438.db2.gz ZSXSBTUCUAIKPC-UHFFFAOYSA-N 0 3 272.349 -2.151 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)CCNCC(N)=O ZINC001493495380 893401274 /nfs/dbraw/zinc/40/12/74/893401274.db2.gz NERRLNQZMYGOQI-JGVFFNPUSA-N 0 3 257.290 -1.671 20 0 CAADHN COC(=O)[C@H]1C[C@@H]1C(=O)N(C)CCNCC(N)=O ZINC001493495382 893401483 /nfs/dbraw/zinc/40/14/83/893401483.db2.gz NERRLNQZMYGOQI-YUMQZZPRSA-N 0 3 257.290 -1.671 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001493473314 893401532 /nfs/dbraw/zinc/40/15/32/893401532.db2.gz XATJVIZTRWYEQM-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN CN(CCCO)CCNC(=O)C(=O)NCC1CC1 ZINC001492474519 893354064 /nfs/dbraw/zinc/35/40/64/893354064.db2.gz HOCWBOFBCHMEIS-UHFFFAOYSA-N 0 3 257.334 -1.057 20 0 CAADHN CN(CCO)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001492415029 893356137 /nfs/dbraw/zinc/35/61/37/893356137.db2.gz UFDFYOPOVZFLLC-ZJUUUORDSA-N 0 3 257.334 -1.072 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001492859194 893358493 /nfs/dbraw/zinc/35/84/93/893358493.db2.gz CSUQUJSPMKRRJK-RKDXNWHRSA-N 0 3 279.362 -1.893 20 0 CAADHN CCN(CCNC(=O)[C@H]1COCCO1)C[C@H](O)COC ZINC001492916777 893360950 /nfs/dbraw/zinc/36/09/50/893360950.db2.gz KTZWNEGQOCXJQG-NWDGAFQWSA-N 0 3 290.360 -1.153 20 0 CAADHN CCN(CCNC(=O)COC)CCN1C(=O)CNC1=O ZINC001492901705 893363752 /nfs/dbraw/zinc/36/37/52/893363752.db2.gz NLIZFSODRXISID-UHFFFAOYSA-N 0 3 286.332 -1.377 20 0 CAADHN CCN(CCNC(=O)Cc1n[nH]c(C)n1)[C@H](C)C(N)=O ZINC001492950423 893370245 /nfs/dbraw/zinc/37/02/45/893370245.db2.gz REHMFFSWRJBNAE-MRVPVSSYSA-N 0 3 282.348 -1.032 20 0 CAADHN CCN(CCO)CCNC(=O)CN1CCC(=O)NC1=O ZINC001493040724 893378049 /nfs/dbraw/zinc/37/80/49/893378049.db2.gz BFYUCVCEYZWWTI-UHFFFAOYSA-N 0 3 286.332 -1.641 20 0 CAADHN CNS(=O)(=O)CCC(=O)NC[C@H]1CCCN1CCO ZINC001493105437 893378302 /nfs/dbraw/zinc/37/83/02/893378302.db2.gz NBEYFGSLTCZQGS-SNVBAGLBSA-N 0 3 293.389 -1.501 20 0 CAADHN CN1CCC[C@H](N2CC[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001493228232 893381151 /nfs/dbraw/zinc/38/11/51/893381151.db2.gz AMHWGXNIOOIRKC-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1CC[C@H](N2CC[C@@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001493188185 893383859 /nfs/dbraw/zinc/38/38/59/893383859.db2.gz CYABUWAVTNGARJ-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1CCC[C@H](N2CC[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001493228218 893386489 /nfs/dbraw/zinc/38/64/89/893386489.db2.gz AMHWGXNIOOIRKC-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@@H](NC(=O)CC(N)=O)C1)N(C)C ZINC001493247228 893388613 /nfs/dbraw/zinc/38/86/13/893388613.db2.gz AREPFPSSMMRVEJ-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001493247066 893391624 /nfs/dbraw/zinc/39/16/24/893391624.db2.gz FHTHMLCZKWIPNV-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001493251121 893391886 /nfs/dbraw/zinc/39/18/86/893391886.db2.gz XQVHKMYTKBNEFP-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)NCCN(CCO)C1CC1 ZINC001493388073 893392537 /nfs/dbraw/zinc/39/25/37/893392537.db2.gz AHUBRJNENWQZNY-UHFFFAOYSA-N 0 3 296.327 -1.478 20 0 CAADHN O=C(NCCN(CCCO)C1CC1)[C@H]1CNC(=O)N1 ZINC001493408035 893394860 /nfs/dbraw/zinc/39/48/60/893394860.db2.gz UDVDCAUYKUQWAE-SNVBAGLBSA-N 0 3 270.333 -1.369 20 0 CAADHN CC(=O)N(C)CCNCC(=O)N1CCC(C(N)=O)CC1 ZINC001493458110 893397889 /nfs/dbraw/zinc/39/78/89/893397889.db2.gz OAOVNINFCSHSQN-UHFFFAOYSA-N 0 3 284.360 -1.222 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)Cn1cnnn1 ZINC001493473558 893398998 /nfs/dbraw/zinc/39/89/98/893398998.db2.gz RHJHYYQXFNHYGI-UHFFFAOYSA-N 0 3 269.309 -2.143 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@H](C)NC(C)=O ZINC001493473315 893399482 /nfs/dbraw/zinc/39/94/82/893399482.db2.gz XATJVIZTRWYEQM-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CN(CCNCC(=O)NCC1CC1)C(=O)[C@H]1CCC(=O)N1 ZINC001493497614 893399731 /nfs/dbraw/zinc/39/97/31/893399731.db2.gz IGIBTYKVEXKAEQ-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCCO1)C(=O)NC(N)=O ZINC001493472335 893400449 /nfs/dbraw/zinc/40/04/49/893400449.db2.gz KYVSHQYDKWQKOJ-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1C(=O)N(C)CCNCC(N)=O ZINC001493495378 893400134 /nfs/dbraw/zinc/40/01/34/893400134.db2.gz NERRLNQZMYGOQI-HTQZYQBOSA-N 0 3 257.290 -1.671 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCN(C)C(=O)Cn1cnnn1 ZINC001493473750 893400230 /nfs/dbraw/zinc/40/02/30/893400230.db2.gz VQOCQPGOSADCBP-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001493472004 893400421 /nfs/dbraw/zinc/40/04/21/893400421.db2.gz DKLISJJKXLLJAY-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cc1cnn(C)c1)C(N)=O ZINC001493494070 893400529 /nfs/dbraw/zinc/40/05/29/893400529.db2.gz DOZJIBHVUUBCAO-VIFPVBQESA-N 0 3 267.333 -1.116 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1cnccn1 ZINC001493464535 893400565 /nfs/dbraw/zinc/40/05/65/893400565.db2.gz IGCGMBVVIBSBIZ-UHFFFAOYSA-N 0 3 280.288 -1.667 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001493472005 893400607 /nfs/dbraw/zinc/40/06/07/893400607.db2.gz DKLISJJKXLLJAY-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN COCCOCC(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001493500395 893400635 /nfs/dbraw/zinc/40/06/35/893400635.db2.gz NITJIAGBZWGSTP-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CNC(=O)C1CC1 ZINC001493485014 893400899 /nfs/dbraw/zinc/40/08/99/893400899.db2.gz LQUXCIZIVRCNOC-JTQLQIEISA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1cc(C)n[nH]1 ZINC001493487485 893401099 /nfs/dbraw/zinc/40/10/99/893401099.db2.gz PQTKWFHUAVLIEV-UHFFFAOYSA-N 0 3 296.331 -1.165 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1cc(C)[nH]n1 ZINC001493487485 893401109 /nfs/dbraw/zinc/40/11/09/893401109.db2.gz PQTKWFHUAVLIEV-UHFFFAOYSA-N 0 3 296.331 -1.165 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CNC(=O)C1CC1 ZINC001493485015 893401560 /nfs/dbraw/zinc/40/15/60/893401560.db2.gz LQUXCIZIVRCNOC-SNVBAGLBSA-N 0 3 282.344 -1.551 20 0 CAADHN CCOCC(=O)N(C)CCNCC(=O)NC(N)=O ZINC001493466048 893401583 /nfs/dbraw/zinc/40/15/83/893401583.db2.gz DPSHESWDMDBCQU-UHFFFAOYSA-N 0 3 260.294 -1.734 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cc1cnn(C)c1)C(N)=O ZINC001493494069 893401600 /nfs/dbraw/zinc/40/16/00/893401600.db2.gz DOZJIBHVUUBCAO-SECBINFHSA-N 0 3 267.333 -1.116 20 0 CAADHN CC(C)CNC(=O)CNCCN(C)C(=O)Cn1cnnn1 ZINC001493472671 893402302 /nfs/dbraw/zinc/40/23/02/893402302.db2.gz IYVSEPXQEAFIBE-UHFFFAOYSA-N 0 3 297.363 -1.507 20 0 CAADHN Cc1ncncc1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001493485553 893402420 /nfs/dbraw/zinc/40/24/20/893402420.db2.gz OVCHTCHIFXUYPH-UHFFFAOYSA-N 0 3 294.315 -1.358 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCNCC(N)=O)C1 ZINC001493528018 893403485 /nfs/dbraw/zinc/40/34/85/893403485.db2.gz SATWLSJZWTZVTK-UHFFFAOYSA-N 0 3 256.306 -2.002 20 0 CAADHN CCNC(=O)CC(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001493521871 893403684 /nfs/dbraw/zinc/40/36/84/893403684.db2.gz DXGGEHOPKBDKLK-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1cncnc1 ZINC001493524328 893403726 /nfs/dbraw/zinc/40/37/26/893403726.db2.gz XOZIIBGAQOYJLV-UHFFFAOYSA-N 0 3 280.288 -1.667 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)CN1CCOCC1 ZINC001493526264 893403933 /nfs/dbraw/zinc/40/39/33/893403933.db2.gz XCFCNABRWUOULA-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CN(CCNCC(N)=O)C(=O)Cc1nnn(C(C)(C)C)n1 ZINC001493557382 893404148 /nfs/dbraw/zinc/40/41/48/893404148.db2.gz UFJITCDLOPQDEX-UHFFFAOYSA-N 0 3 297.363 -1.496 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001493516443 893404162 /nfs/dbraw/zinc/40/41/62/893404162.db2.gz MVZGJDNLZMXWJS-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CO[C@@H]1CCOC1 ZINC001493543697 893404442 /nfs/dbraw/zinc/40/44/42/893404442.db2.gz CFQODJRTAPXXBH-SECBINFHSA-N 0 3 259.306 -1.675 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001493517008 893404463 /nfs/dbraw/zinc/40/44/63/893404463.db2.gz ZVBAXXPGDYFLNO-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CC(=O)N(C)C1)C(=O)N(C)C ZINC001493569907 893404881 /nfs/dbraw/zinc/40/48/81/893404881.db2.gz LEBLLVUYIIQVRL-QWRGUYRKSA-N 0 3 298.387 -1.011 20 0 CAADHN CCN1C[C@@H](C(=O)N(C)CCNCC(=O)NC)CC1=O ZINC001493568609 893405008 /nfs/dbraw/zinc/40/50/08/893405008.db2.gz HLNXALPLMPFCGX-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001493549073 893405158 /nfs/dbraw/zinc/40/51/58/893405158.db2.gz CQJDCTLGBUWBSL-SSDOTTSWSA-N 0 3 255.282 -2.405 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1cn(C)cn1 ZINC001493516768 893405328 /nfs/dbraw/zinc/40/53/28/893405328.db2.gz RBSVVJBEWTYMDP-UHFFFAOYSA-N 0 3 296.331 -1.463 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cnnn1C)C(=O)N(C)C ZINC001493534680 893405341 /nfs/dbraw/zinc/40/53/41/893405341.db2.gz QEOVZONKLFUNEZ-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001493569487 893405649 /nfs/dbraw/zinc/40/56/49/893405649.db2.gz JZIHRBJDLUPZOG-MRVPVSSYSA-N 0 3 299.331 -2.231 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1cnn(C)c1N ZINC001493524679 893405715 /nfs/dbraw/zinc/40/57/15/893405715.db2.gz ZMCDOJBFAXWMQA-MRVPVSSYSA-N 0 3 282.348 -1.202 20 0 CAADHN CNC(=O)NCCC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001493537334 893405757 /nfs/dbraw/zinc/40/57/57/893405757.db2.gz HPZVXAPVVXAYNZ-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001493550903 893405889 /nfs/dbraw/zinc/40/58/89/893405889.db2.gz QWEWCQNZRCZBFO-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001493655114 893407018 /nfs/dbraw/zinc/40/70/18/893407018.db2.gz UJRIPSMJKWQFNY-DTWKUNHWSA-N 0 3 298.343 -1.649 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001493655196 893407176 /nfs/dbraw/zinc/40/71/76/893407176.db2.gz WOUGTAFJNCPHRT-ZJUUUORDSA-N 0 3 297.359 -1.711 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1ccn2nnnc2c1 ZINC001493653642 893407306 /nfs/dbraw/zinc/40/73/06/893407306.db2.gz LQVKQHCZPSCLFK-UHFFFAOYSA-N 0 3 277.288 -1.729 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)COCC(F)F ZINC001493640131 893407330 /nfs/dbraw/zinc/40/73/30/893407330.db2.gz AIXGPZQRTCKHSQ-UHFFFAOYSA-N 0 3 296.274 -1.489 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H]1CCCNC1=O ZINC001493586305 893407469 /nfs/dbraw/zinc/40/74/69/893407469.db2.gz NEKLQJXSCGDWGJ-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001493654995 893407697 /nfs/dbraw/zinc/40/76/97/893407697.db2.gz RIHFNEFTGNZVRZ-WDEREUQCSA-N 0 3 296.371 -1.176 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CN1CCOCC1=O ZINC001493579803 893407936 /nfs/dbraw/zinc/40/79/36/893407936.db2.gz OUAWCWPVVOZFJJ-SNVBAGLBSA-N 0 3 298.343 -2.218 20 0 CAADHN CN(C)C1(C(=O)NC[C@@H](NC(=O)C(N)=O)C2CC2)CCC1 ZINC001493594151 893408240 /nfs/dbraw/zinc/40/82/40/893408240.db2.gz PZPHDUPFNFHFFG-SNVBAGLBSA-N 0 3 296.371 -1.033 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CCNC/C=C\Cl ZINC001493642193 893408405 /nfs/dbraw/zinc/40/84/05/893408405.db2.gz PZZVJYMIGINODH-ARJAWSKDSA-N 0 3 298.796 -1.159 20 0 CAADHN COc1c[nH]c(C(=O)N(C)CCN[C@H](C)C(N)=O)cc1=O ZINC001493629929 893408733 /nfs/dbraw/zinc/40/87/33/893408733.db2.gz GFKBBSHTGGSMRW-MRVPVSSYSA-N 0 3 296.327 -1.081 20 0 CAADHN CC[C@H](NCCN(C)C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001493586199 893408787 /nfs/dbraw/zinc/40/87/87/893408787.db2.gz ISQLNAVFAWPTDB-QMMMGPOBSA-N 0 3 272.349 -1.190 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1ccc(C(N)=O)o1 ZINC001493619730 893408823 /nfs/dbraw/zinc/40/88/23/893408823.db2.gz BVJCFOINRAFOHU-QMMMGPOBSA-N 0 3 294.311 -1.071 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C(C)(C)C(N)=O ZINC001493586022 893408937 /nfs/dbraw/zinc/40/89/37/893408937.db2.gz BPCLUUXOVCXAJG-QMMMGPOBSA-N 0 3 298.343 -1.649 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1coc(C(N)=O)c1 ZINC001493641256 893408951 /nfs/dbraw/zinc/40/89/51/893408951.db2.gz PAQZEBAYWRUFLU-UHFFFAOYSA-N 0 3 282.300 -1.214 20 0 CAADHN COc1nc(C(=O)N(C)CCNCC(=O)NC(N)=O)co1 ZINC001493642935 893409059 /nfs/dbraw/zinc/40/90/59/893409059.db2.gz ZVFXRGGMEMIAFI-UHFFFAOYSA-N 0 3 299.287 -1.460 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001493655193 893409107 /nfs/dbraw/zinc/40/91/07/893409107.db2.gz WOUGTAFJNCPHRT-NXEZZACHSA-N 0 3 297.359 -1.711 20 0 CAADHN CN(C)C1(C(=O)NC[C@H](NC(=O)C(N)=O)C2CC2)CCC1 ZINC001493594149 893409134 /nfs/dbraw/zinc/40/91/34/893409134.db2.gz PZPHDUPFNFHFFG-JTQLQIEISA-N 0 3 296.371 -1.033 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cn[nH]n1 ZINC001493613259 893409183 /nfs/dbraw/zinc/40/91/83/893409183.db2.gz JKKDOQHDPFEBHT-SSDOTTSWSA-N 0 3 252.278 -1.645 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)C1(C(N)=O)CC1 ZINC001493680202 893410159 /nfs/dbraw/zinc/41/01/59/893410159.db2.gz WSJMORMGHKEAHB-UHFFFAOYSA-N 0 3 284.360 -1.174 20 0 CAADHN C[C@H](NCCN(C)C(=O)C1(C(N)=O)CC1)C(=O)NC1CC1 ZINC001493678417 893410044 /nfs/dbraw/zinc/41/00/44/893410044.db2.gz KQXLUBPYTWEWEX-VIFPVBQESA-N 0 3 296.371 -1.033 20 0 CAADHN CN(CCNCc1nc(=O)n(C)[n-]1)C(=O)CC[NH+](C)C ZINC001493682696 893410322 /nfs/dbraw/zinc/41/03/22/893410322.db2.gz YSURNPQGAROSTA-UHFFFAOYSA-N 0 3 284.364 -1.392 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccoc1CC(N)=O)C(N)=O ZINC001493670093 893410403 /nfs/dbraw/zinc/41/04/03/893410403.db2.gz UBAVCIOJKNCGAH-QMMMGPOBSA-N 0 3 296.327 -1.157 20 0 CAADHN CN(CCNCc1ccnn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001493673416 893410441 /nfs/dbraw/zinc/41/04/41/893410441.db2.gz JMNBGZBBFCEPOL-SNVBAGLBSA-N 0 3 280.332 -1.351 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)c1nnn(C)n1 ZINC001493655927 893410591 /nfs/dbraw/zinc/41/05/91/893410591.db2.gz CUOTWJVJQDYZHA-MRVPVSSYSA-N 0 3 281.320 -1.898 20 0 CAADHN CN(CCNCC(=O)N(C)C1CC1)C(=O)c1nnn(C)n1 ZINC001493655832 893410810 /nfs/dbraw/zinc/41/08/10/893410810.db2.gz CLBRJKMTXNWAQV-UHFFFAOYSA-N 0 3 295.347 -1.508 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C1(C(N)=O)CC1 ZINC001493676974 893411136 /nfs/dbraw/zinc/41/11/36/893411136.db2.gz ABOWSFDUZPLYOT-SECBINFHSA-N 0 3 282.344 -1.469 20 0 CAADHN CC[C@H](NCCN(C)C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001493678394 893411592 /nfs/dbraw/zinc/41/15/92/893411592.db2.gz KKZWGCOBSOEJPH-QMMMGPOBSA-N 0 3 270.333 -1.436 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001493680308 893411915 /nfs/dbraw/zinc/41/19/15/893411915.db2.gz ZHHNLSXOBNSJFM-SECBINFHSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)[C@@H]1CCN(C)C1=O ZINC001493662271 893412258 /nfs/dbraw/zinc/41/22/58/893412258.db2.gz CTGRNTGIDXJTII-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N(C)CCNCC(N)=O ZINC001493746166 893413483 /nfs/dbraw/zinc/41/34/83/893413483.db2.gz KUQAYDMVEONMQA-UHFFFAOYSA-N 0 3 294.377 -2.199 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cc1cnc[nH]1 ZINC001493710217 893413941 /nfs/dbraw/zinc/41/39/41/893413941.db2.gz YLAQKTZTOLXMQP-UHFFFAOYSA-N 0 3 253.306 -1.254 20 0 CAADHN CC[C@H](CNC(=O)CS(C)(=O)=O)NCC(=O)N(C)C ZINC001494948288 893465865 /nfs/dbraw/zinc/46/58/65/893465865.db2.gz NJZFVUSDWLXCNQ-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1cnon1 ZINC001493737936 893414792 /nfs/dbraw/zinc/41/47/92/893414792.db2.gz VXDMJTPJRCBPAI-UHFFFAOYSA-N 0 3 284.276 -1.813 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CCN1CCOCC1 ZINC001493733753 893414776 /nfs/dbraw/zinc/41/47/76/893414776.db2.gz ZNAGZJAALZZVEK-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN Cc1nc[nH]c1CC(=O)N(C)CCNCC(=O)NC(N)=O ZINC001493774935 893414925 /nfs/dbraw/zinc/41/49/25/893414925.db2.gz NNJJHIIPKVTNSJ-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)c1nc[nH]n1 ZINC001493735216 893414962 /nfs/dbraw/zinc/41/49/62/893414962.db2.gz MEDCTRMWVOPHSB-UHFFFAOYSA-N 0 3 254.294 -1.446 20 0 CAADHN CCn1ccc(C(=O)N(C)CCNCC(=O)NC(N)=O)n1 ZINC001493721267 893414977 /nfs/dbraw/zinc/41/49/77/893414977.db2.gz WIWCJLXNZIVHFM-UHFFFAOYSA-N 0 3 296.331 -1.241 20 0 CAADHN CN(CCNCCNS(C)(=O)=O)C(=O)c1nc[nH]n1 ZINC001493734327 893415400 /nfs/dbraw/zinc/41/54/00/893415400.db2.gz BUKLWTGLELONCN-UHFFFAOYSA-N 0 3 290.349 -1.985 20 0 CAADHN C[C@H]([NH2+]CCN(C)C(=O)c1nc[n-]n1)C(=O)N(C)C ZINC001493735930 893415522 /nfs/dbraw/zinc/41/55/22/893415522.db2.gz XJJYNSOVADTJRI-QMMMGPOBSA-N 0 3 268.321 -1.057 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1nc[nH]n1)C(=O)N(C)C ZINC001493735930 893415527 /nfs/dbraw/zinc/41/55/27/893415527.db2.gz XJJYNSOVADTJRI-QMMMGPOBSA-N 0 3 268.321 -1.057 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCCC(=O)N1C ZINC001493781638 893415591 /nfs/dbraw/zinc/41/55/91/893415591.db2.gz ZNWPOVSMPAFTAS-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CCN1CCOCC1 ZINC001493733752 893415620 /nfs/dbraw/zinc/41/56/20/893415620.db2.gz ZNAGZJAALZZVEK-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN COc1c(C(=O)N(C)CCNCC(N)=O)c(C)nn1C ZINC001493714873 893415641 /nfs/dbraw/zinc/41/56/41/893415641.db2.gz VNEFMASFIRQNBD-UHFFFAOYSA-N 0 3 283.332 -1.116 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)Cn1cncn1 ZINC001493787209 893415797 /nfs/dbraw/zinc/41/57/97/893415797.db2.gz LHULRIWCJHFUAP-JTQLQIEISA-N 0 3 280.332 -1.443 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001493769555 893415818 /nfs/dbraw/zinc/41/58/18/893415818.db2.gz FKEPOBMEGRLWSB-SFYZADRCSA-N 0 3 256.306 -1.813 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@]1(C)CCNC1=O ZINC001493695450 893415830 /nfs/dbraw/zinc/41/58/30/893415830.db2.gz QRPJCUJBYUZVTD-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN Cc1nnc2n1C[C@@H](C(=O)N(C)CCNCC(N)=O)CC2 ZINC001493803480 893418338 /nfs/dbraw/zinc/41/83/38/893418338.db2.gz PBFQLFYFPAQUFV-JTQLQIEISA-N 0 3 294.359 -1.318 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001494022429 893420389 /nfs/dbraw/zinc/42/03/89/893420389.db2.gz WDMRXYYJUSJECW-ZJUUUORDSA-N 0 3 295.347 -1.625 20 0 CAADHN CC(=O)NCC(=O)NCC[C@H]1CCN([C@@H](C)C(N)=O)C1 ZINC001493983622 893421681 /nfs/dbraw/zinc/42/16/81/893421681.db2.gz KWIHFVDMBSXBJD-ONGXEEELSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001494049053 893421277 /nfs/dbraw/zinc/42/12/77/893421277.db2.gz MJTRSUCTMXLAHC-QWRGUYRKSA-N 0 3 296.371 -1.303 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001494049051 893421811 /nfs/dbraw/zinc/42/18/11/893421811.db2.gz MJTRSUCTMXLAHC-MNOVXSKESA-N 0 3 296.371 -1.303 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001494022428 893422419 /nfs/dbraw/zinc/42/24/19/893422419.db2.gz WDMRXYYJUSJECW-VHSXEESVSA-N 0 3 295.347 -1.625 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)CC(N)=O)C1 ZINC001494000055 893423214 /nfs/dbraw/zinc/42/32/14/893423214.db2.gz RJIFVIFFIZWFDR-SECBINFHSA-N 0 3 270.333 -1.564 20 0 CAADHN C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001494153657 893424695 /nfs/dbraw/zinc/42/46/95/893424695.db2.gz LGQBGFSXVLFSIA-IUCAKERBSA-N 0 3 295.347 -1.522 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001494281619 893425030 /nfs/dbraw/zinc/42/50/30/893425030.db2.gz LLAXXXIACMEIOF-GRYCIOLGSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2nnc[n-]2)C1 ZINC001494169571 893425154 /nfs/dbraw/zinc/42/51/54/893425154.db2.gz LCHZWXOAANHLRW-JTQLQIEISA-N 0 3 294.359 -1.127 20 0 CAADHN CNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2nnc[n-]2)C1 ZINC001494169571 893425162 /nfs/dbraw/zinc/42/51/62/893425162.db2.gz LCHZWXOAANHLRW-JTQLQIEISA-N 0 3 294.359 -1.127 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001494285130 893425455 /nfs/dbraw/zinc/42/54/55/893425455.db2.gz UAKWGTFGIOPRDE-MNOVXSKESA-N 0 3 299.371 -1.160 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001494281621 893425520 /nfs/dbraw/zinc/42/55/20/893425520.db2.gz LLAXXXIACMEIOF-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O)N(C)C ZINC001494417156 893436154 /nfs/dbraw/zinc/43/61/54/893436154.db2.gz HPIHORPWNMIHHV-COMAGPEQSA-N 0 3 296.371 -1.225 20 0 CAADHN CCN(C)C(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001494492319 893438720 /nfs/dbraw/zinc/43/87/20/893438720.db2.gz AKQDWPUFTMQZNY-MYJAWHEDSA-N 0 3 296.371 -1.225 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001494494655 893441936 /nfs/dbraw/zinc/44/19/36/893441936.db2.gz WVCFNDBKZHHZQX-JZYVYDRUSA-N 0 3 282.344 -1.615 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)CCn2cncn2)C1 ZINC001494523404 893442251 /nfs/dbraw/zinc/44/22/51/893442251.db2.gz IJLPCKRTJKKQHI-GFCCVEGCSA-N 0 3 297.359 -1.277 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)Cn2ncnn2)C1 ZINC001494550158 893443272 /nfs/dbraw/zinc/44/32/72/893443272.db2.gz HCSMIYIPBRWMQP-QMMMGPOBSA-N 0 3 254.294 -1.898 20 0 CAADHN Cn1cnn(CC(=O)NCC2CN(CCCO)C2)c1=O ZINC001494568273 893445499 /nfs/dbraw/zinc/44/54/99/893445499.db2.gz OCRPXDDCKSYCBR-UHFFFAOYSA-N 0 3 283.332 -1.988 20 0 CAADHN CCN1CC(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001494567707 893445720 /nfs/dbraw/zinc/44/57/20/893445720.db2.gz MIWKXLGNBHLSMI-UHFFFAOYSA-N 0 3 268.361 -1.172 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001494566942 893445892 /nfs/dbraw/zinc/44/58/92/893445892.db2.gz HJOCZZQBWWRGDG-NSHDSACASA-N 0 3 298.387 -1.811 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)Cn2cncn2)C1 ZINC001494624892 893450317 /nfs/dbraw/zinc/45/03/17/893450317.db2.gz KOOVCVGCLBDLOD-VIFPVBQESA-N 0 3 253.306 -1.293 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)Cn2cncn2)C1 ZINC001494624891 893450426 /nfs/dbraw/zinc/45/04/26/893450426.db2.gz KOOVCVGCLBDLOD-SECBINFHSA-N 0 3 253.306 -1.293 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CCN(CCCO)C1 ZINC001494735317 893458061 /nfs/dbraw/zinc/45/80/61/893458061.db2.gz NZSUNEKYLQWERR-UWVGGRQHSA-N 0 3 298.343 -1.453 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCN(CCCO)C1 ZINC001494709711 893458316 /nfs/dbraw/zinc/45/83/16/893458316.db2.gz UBQIKWMNZVWWFO-VIFPVBQESA-N 0 3 258.322 -1.512 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](C)NC(=O)Cn1cnnn1 ZINC001494737089 893458680 /nfs/dbraw/zinc/45/86/80/893458680.db2.gz OWTFPRDVLBCMLA-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001494710310 893459039 /nfs/dbraw/zinc/45/90/39/893459039.db2.gz UTZVDOWOTBWNKK-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN CCN(C(=O)CC(N)=O)[C@H]1CCN(C[C@H](O)COC)C1 ZINC001494889230 893462751 /nfs/dbraw/zinc/46/27/51/893462751.db2.gz FGNAAUPUVYPNFP-QWRGUYRKSA-N 0 3 287.360 -1.208 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)N1CCC1 ZINC001494936341 893464530 /nfs/dbraw/zinc/46/45/30/893464530.db2.gz BKXMLJYPIIFCQQ-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CCC(=O)N1 ZINC001494951187 893464918 /nfs/dbraw/zinc/46/49/18/893464918.db2.gz WJHMDZSIMRTDAQ-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@@H](CNC(=O)CC(N)=O)N[C@H]1CCNC1=O ZINC001494953450 893465199 /nfs/dbraw/zinc/46/51/99/893465199.db2.gz KESYMRSHVZAOCE-YUMQZZPRSA-N 0 3 256.306 -1.765 20 0 CAADHN CCN(C(=O)CNC(=O)NC)[C@H]1CCN(CCO)C1 ZINC001494899250 893465453 /nfs/dbraw/zinc/46/54/53/893465453.db2.gz CZNMCGCFDRIYAH-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN CC[C@@H](CNC(=O)CS(C)(=O)=O)NCC(=O)N(C)C ZINC001494948292 893465754 /nfs/dbraw/zinc/46/57/54/893465754.db2.gz NJZFVUSDWLXCNQ-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN CCN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CCN(CCO)C1 ZINC001494902863 893465801 /nfs/dbraw/zinc/46/58/01/893465801.db2.gz BQWJBXHBZKCBMJ-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN CC[C@H](CNC(=O)c1ccc(=O)[nH]n1)NCC(N)=O ZINC001494937192 893465882 /nfs/dbraw/zinc/46/58/82/893465882.db2.gz VJHCATIYFCLMSO-SSDOTTSWSA-N 0 3 267.289 -1.235 20 0 CAADHN CC[C@@H](CNC(=O)c1ccc2n[nH]nc2n1)NCC(N)=O ZINC001494987262 893467989 /nfs/dbraw/zinc/46/79/89/893467989.db2.gz IIDOZPGGXVPUOC-ZETCQYMHSA-N 0 3 291.315 -1.064 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(=O)NC ZINC001494989615 893468004 /nfs/dbraw/zinc/46/80/04/893468004.db2.gz QWEKGSCMVSXQSQ-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H](CNC(=O)C[C@@H](C)NC(N)=O)NCC(N)=O ZINC001494984840 893468582 /nfs/dbraw/zinc/46/85/82/893468582.db2.gz LAKNREASAFPWDL-HTQZYQBOSA-N 0 3 273.337 -1.597 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)CNC(=O)NC ZINC001494989819 893468933 /nfs/dbraw/zinc/46/89/33/893468933.db2.gz RLRSAUFXBZDUCF-VIFPVBQESA-N 0 3 287.364 -1.464 20 0 CAADHN CC[C@H](CNC(=O)CN1CCOCC1=O)NCC(N)=O ZINC001495002266 893469327 /nfs/dbraw/zinc/46/93/27/893469327.db2.gz JYGJNZMMTWZRNE-SECBINFHSA-N 0 3 286.332 -2.185 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)NCC(=O)NC1CC1 ZINC001494979971 893470066 /nfs/dbraw/zinc/47/00/66/893470066.db2.gz ACBYLNFFBUGARZ-SECBINFHSA-N 0 3 295.347 -1.564 20 0 CAADHN CC[C@H](CNC(=O)CCNC(N)=O)NCC(N)=O ZINC001495103503 893471330 /nfs/dbraw/zinc/47/13/30/893471330.db2.gz NQILGWKJJFLDAC-SSDOTTSWSA-N 0 3 259.310 -1.986 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(N)=O ZINC001495046224 893471472 /nfs/dbraw/zinc/47/14/72/893471472.db2.gz IYJXZDPTVKJYMJ-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](CNC(=O)C1(C(N)=O)CC1)NCC(=O)N(C)C ZINC001495050163 893471808 /nfs/dbraw/zinc/47/18/08/893471808.db2.gz NBJQMPVIPWPPDH-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NCc1cnn(C)c1 ZINC001495050728 893472510 /nfs/dbraw/zinc/47/25/10/893472510.db2.gz PUXIZTRWVLALBS-VIFPVBQESA-N 0 3 253.306 -1.110 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)N[C@@H]1CCN(CC)C1=O ZINC001495049622 893472691 /nfs/dbraw/zinc/47/26/91/893472691.db2.gz KYVSYBRQBKFLKL-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](CNC(=O)CCn1cnnn1)N[C@H](C)C(=O)NC ZINC001495079226 893472855 /nfs/dbraw/zinc/47/28/55/893472855.db2.gz HCSMHTSBBVGUPP-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N1CCC1 ZINC001495049842 893472966 /nfs/dbraw/zinc/47/29/66/893472966.db2.gz KSDPRIUUPLTOAT-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN CC[C@H](CNC(=O)[C@@]1(C)CCNC1=O)NCC(N)=O ZINC001495058696 893473301 /nfs/dbraw/zinc/47/33/01/893473301.db2.gz QPPWLDNWMJSIIN-PELKAZGASA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)N[C@H]1CCN(CC)C1=O ZINC001495049616 893473449 /nfs/dbraw/zinc/47/34/49/893473449.db2.gz KYVSYBRQBKFLKL-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@@H](CNC(=O)C1(C(N)=O)CC1)NCC(=O)N(C)C ZINC001495050165 893473478 /nfs/dbraw/zinc/47/34/78/893473478.db2.gz NBJQMPVIPWPPDH-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@@H](CC)CNC(=O)C(N)=O ZINC001495052821 893473602 /nfs/dbraw/zinc/47/36/02/893473602.db2.gz ZSZMUYRGNAUBAP-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)CCn1cnnn1)N[C@@H]1CCNC1=O ZINC001495080464 893473535 /nfs/dbraw/zinc/47/35/35/893473535.db2.gz PZBKFTZAVVTBHY-VHSXEESVSA-N 0 3 295.347 -1.564 20 0 CAADHN CNC(=O)CNCC1(NC(=O)C(N)=O)CCCC1 ZINC001495187024 893474798 /nfs/dbraw/zinc/47/47/98/893474798.db2.gz OWDHYKQDPYEGIN-UHFFFAOYSA-N 0 3 256.306 -1.764 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001495267088 893474953 /nfs/dbraw/zinc/47/49/53/893474953.db2.gz OEMWWRGLXSLBQC-ZANVPECISA-N 0 3 282.344 -1.518 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001495238852 893475033 /nfs/dbraw/zinc/47/50/33/893475033.db2.gz FQXNTTKROPVDRE-JVXZTZIISA-N 0 3 285.348 -1.597 20 0 CAADHN CCN(C)C(=O)CNC[C@@](C)(NC(=O)C(N)=O)C1CC1 ZINC001495277719 893475545 /nfs/dbraw/zinc/47/55/45/893475545.db2.gz FGNOEZAFAFGIBN-CYBMUJFWSA-N 0 3 284.360 -1.176 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001495152479 893475610 /nfs/dbraw/zinc/47/56/10/893475610.db2.gz MTZQZFBCHMJGOH-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001495226203 893475714 /nfs/dbraw/zinc/47/57/14/893475714.db2.gz PBKREAZMONISTD-GXFFZTMASA-N 0 3 285.344 -1.238 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001495238854 893475815 /nfs/dbraw/zinc/47/58/15/893475815.db2.gz FQXNTTKROPVDRE-MADCSZMMSA-N 0 3 285.348 -1.597 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001495255045 893475927 /nfs/dbraw/zinc/47/59/27/893475927.db2.gz OOMFCFHFFBDLBO-YMTOWFKASA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2COCCO2)CCCC1 ZINC001495128457 893476227 /nfs/dbraw/zinc/47/62/27/893476227.db2.gz WNFIRUTZIDQKBP-SNVBAGLBSA-N 0 3 285.344 -1.094 20 0 CAADHN CN1C[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)NC1=O ZINC001495194330 893476260 /nfs/dbraw/zinc/47/62/60/893476260.db2.gz GJDMDZPCWMNRPE-VIFPVBQESA-N 0 3 297.359 -1.486 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@@H]2COCCO2)CCCC1 ZINC001495128456 893476460 /nfs/dbraw/zinc/47/64/60/893476460.db2.gz WNFIRUTZIDQKBP-JTQLQIEISA-N 0 3 285.344 -1.094 20 0 CAADHN CN1C[C@H](C(=O)NC2(CNCC(N)=O)CCCC2)NC1=O ZINC001495194327 893476782 /nfs/dbraw/zinc/47/67/82/893476782.db2.gz GJDMDZPCWMNRPE-SECBINFHSA-N 0 3 297.359 -1.486 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001495267084 893476873 /nfs/dbraw/zinc/47/68/73/893476873.db2.gz OEMWWRGLXSLBQC-TVQRCGJNSA-N 0 3 282.344 -1.518 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001495226214 893477026 /nfs/dbraw/zinc/47/70/26/893477026.db2.gz PBKREAZMONISTD-MFKMUULPSA-N 0 3 285.344 -1.238 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CC(N)=O ZINC001495549143 893481406 /nfs/dbraw/zinc/48/14/06/893481406.db2.gz VRVMSVDABXJLRO-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001495554045 893481876 /nfs/dbraw/zinc/48/18/76/893481876.db2.gz TXSUPBFGZVTRAG-AEJSXWLSSA-N 0 3 297.359 -1.488 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CC(N)=O ZINC001495549145 893481974 /nfs/dbraw/zinc/48/19/74/893481974.db2.gz VRVMSVDABXJLRO-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@@H]1CNCC(=O)NC1CC1 ZINC001495548430 893483314 /nfs/dbraw/zinc/48/33/14/893483314.db2.gz CAFOMVOGSZJFTM-SNVBAGLBSA-N 0 3 282.344 -1.279 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H](C)C[NH2+]CC(N)=O ZINC001495727901 893485545 /nfs/dbraw/zinc/48/55/45/893485545.db2.gz VYQUZYGFOQDTKK-SSDOTTSWSA-N 0 3 281.316 -1.069 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](C)C[NH2+]CC(N)=O ZINC001495727902 893486077 /nfs/dbraw/zinc/48/60/77/893486077.db2.gz VYQUZYGFOQDTKK-ZETCQYMHSA-N 0 3 281.316 -1.069 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001495989414 893498491 /nfs/dbraw/zinc/49/84/91/893498491.db2.gz MLPZNBYKOIZOAC-ZETCQYMHSA-N 0 3 287.320 -2.246 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](C)CN[C@H]1CCNC1=O ZINC001495990059 893498711 /nfs/dbraw/zinc/49/87/11/893498711.db2.gz QJOKYLKRACNWDO-SCZZXKLOSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](C)CN[C@H]1CCNC1=O ZINC001495990070 893499277 /nfs/dbraw/zinc/49/92/77/893499277.db2.gz QJOKYLKRACNWDO-WPRPVWTQSA-N 0 3 270.333 -1.553 20 0 CAADHN NC(=O)C(=O)NCC1(N[C@@H]2CCNC2=O)CCCC1 ZINC001495939192 893499600 /nfs/dbraw/zinc/49/96/00/893499600.db2.gz CUQRBILVIMKLRL-MRVPVSSYSA-N 0 3 268.317 -1.621 20 0 CAADHN CC(=O)N(C)[C@H](C)CNCC(=O)N1CCNC(=O)C1 ZINC001495985935 893499611 /nfs/dbraw/zinc/49/96/11/893499611.db2.gz WTKIDCNANXZDAP-SECBINFHSA-N 0 3 270.333 -1.599 20 0 CAADHN CN1CC[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1=O ZINC001495935122 893499863 /nfs/dbraw/zinc/49/98/63/893499863.db2.gz BKNWYOLGYDDOCZ-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@H](C)CN[C@@H](C)C(N)=O ZINC001496001951 893500615 /nfs/dbraw/zinc/50/06/15/893500615.db2.gz JCJDZDFACGJZDQ-BDAKNGLRSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCn1ccnn1 ZINC001496039605 893501391 /nfs/dbraw/zinc/50/13/91/893501391.db2.gz KDRBDLXKCMTDGF-SECBINFHSA-N 0 3 268.321 -1.410 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001496072168 893501462 /nfs/dbraw/zinc/50/14/62/893501462.db2.gz XROSRVKGDXJYOA-WDEREUQCSA-N 0 3 298.387 -1.011 20 0 CAADHN COC(=O)NCC(=O)N(C)[C@H](C)CN[C@@H]1CCNC1=O ZINC001496011404 893501560 /nfs/dbraw/zinc/50/15/60/893501560.db2.gz IBOKZJKCHZXVSN-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001496076654 893501770 /nfs/dbraw/zinc/50/17/70/893501770.db2.gz DXNGSOMXAQYVGU-BDAKNGLRSA-N 0 3 295.343 -1.296 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCn1ccnn1 ZINC001496039633 893502009 /nfs/dbraw/zinc/50/20/09/893502009.db2.gz KDRBDLXKCMTDGF-VIFPVBQESA-N 0 3 268.321 -1.410 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001496072165 893502287 /nfs/dbraw/zinc/50/22/87/893502287.db2.gz XROSRVKGDXJYOA-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CC(N)=O ZINC001496025190 893502360 /nfs/dbraw/zinc/50/23/60/893502360.db2.gz KCQWYSLVTUIQOM-JGVFFNPUSA-N 0 3 256.306 -1.813 20 0 CAADHN COC(=O)NCC(=O)N(C)[C@@H](C)CN[C@H]1CCNC1=O ZINC001496011403 893502394 /nfs/dbraw/zinc/50/23/94/893502394.db2.gz IBOKZJKCHZXVSN-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@H](C)CN[C@H](C)C(N)=O ZINC001496001954 893503025 /nfs/dbraw/zinc/50/30/25/893503025.db2.gz JCJDZDFACGJZDQ-RKDXNWHRSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CC(N)=O ZINC001496025192 893503308 /nfs/dbraw/zinc/50/33/08/893503308.db2.gz KCQWYSLVTUIQOM-SFYZADRCSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001496063206 893503638 /nfs/dbraw/zinc/50/36/38/893503638.db2.gz ZZTIMNRHUUEADG-IUCAKERBSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@H](NC[C@H](C)N(C)C(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001496076659 893503599 /nfs/dbraw/zinc/50/35/99/893503599.db2.gz DXNGSOMXAQYVGU-IUCAKERBSA-N 0 3 295.343 -1.296 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@@H](C)CN[C@H]2CCNC2=O)C1 ZINC001496042629 893503749 /nfs/dbraw/zinc/50/37/49/893503749.db2.gz RSZGYYSIBWUMFS-CABZTGNLSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)Cn1ncnn1 ZINC001496061442 893503849 /nfs/dbraw/zinc/50/38/49/893503849.db2.gz MYGXIRXRNYYUBU-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001496062188 893503883 /nfs/dbraw/zinc/50/38/83/893503883.db2.gz SOKJVIIQRUQFSH-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN COC(=O)NCC(=O)N(C)[C@@H](C)CN[C@@H]1CCNC1=O ZINC001496011401 893504257 /nfs/dbraw/zinc/50/42/57/893504257.db2.gz IBOKZJKCHZXVSN-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)Cn1ncnn1 ZINC001496061440 893504364 /nfs/dbraw/zinc/50/43/64/893504364.db2.gz MYGXIRXRNYYUBU-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CCn1ccnn1 ZINC001496040738 893504390 /nfs/dbraw/zinc/50/43/90/893504390.db2.gz NRJNLMWQKJLGEJ-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1cn(C)nn1 ZINC001496047945 893505012 /nfs/dbraw/zinc/50/50/12/893505012.db2.gz BTNYTBZQOYDEQS-QMMMGPOBSA-N 0 3 268.321 -1.389 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@H](C)CN[C@H]2CCNC2=O)C1 ZINC001496042634 893505365 /nfs/dbraw/zinc/50/53/65/893505365.db2.gz RSZGYYSIBWUMFS-SKDRFNHKSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCOC1 ZINC001496018587 893505638 /nfs/dbraw/zinc/50/56/38/893505638.db2.gz VLKVBZHYVZSTIZ-RKDXNWHRSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cc1cnoc1 ZINC001496145875 893506573 /nfs/dbraw/zinc/50/65/73/893506573.db2.gz RFDKNHDHVCJJKE-QMMMGPOBSA-N 0 3 297.315 -1.152 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CCS(C)(=O)=O)C(N)=O ZINC001496091338 893506861 /nfs/dbraw/zinc/50/68/61/893506861.db2.gz BFIAVIJNUCZOOR-DTWKUNHWSA-N 0 3 293.389 -1.269 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001496093406 893506950 /nfs/dbraw/zinc/50/69/50/893506950.db2.gz HYGUAGJCWFFPFU-SFYZADRCSA-N 0 3 279.362 -1.659 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001496088763 893507187 /nfs/dbraw/zinc/50/71/87/893507187.db2.gz ACYBLYDURNOPHR-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001496088867 893508339 /nfs/dbraw/zinc/50/83/39/893508339.db2.gz BHOHLPYPCBSITN-LURJTMIESA-N 0 3 269.305 -1.041 20 0 CAADHN C[C@H](NC[C@H](C)N(C)C(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001496143920 893508418 /nfs/dbraw/zinc/50/84/18/893508418.db2.gz KGBRFHDAABSWAD-YUMQZZPRSA-N 0 3 281.316 -1.306 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001496130911 893508589 /nfs/dbraw/zinc/50/85/89/893508589.db2.gz LLDDQFSLWDPKJI-UWVGGRQHSA-N 0 3 299.375 -1.465 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCS(C)(=O)=O ZINC001496091337 893508970 /nfs/dbraw/zinc/50/89/70/893508970.db2.gz BFIAVIJNUCZOOR-BDAKNGLRSA-N 0 3 293.389 -1.269 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccnc2n[nH]nc21 ZINC001496113228 893509378 /nfs/dbraw/zinc/50/93/78/893509378.db2.gz YPXCSXCPQJWDSY-ZETCQYMHSA-N 0 3 291.315 -1.112 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001496130201 893509445 /nfs/dbraw/zinc/50/94/45/893509445.db2.gz JFBJGTCSODJUDP-SNVBAGLBSA-N 0 3 299.375 -2.399 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CN1CCNC(=O)C1 ZINC001496130195 893509541 /nfs/dbraw/zinc/50/95/41/893509541.db2.gz JFBJGTCSODJUDP-JTQLQIEISA-N 0 3 299.375 -2.399 20 0 CAADHN CC(C)N(C)CC(=O)NCCN(C)C(=O)Cn1cnnn1 ZINC001496141337 893510142 /nfs/dbraw/zinc/51/01/42/893510142.db2.gz QBZILGAAXDQISE-UHFFFAOYSA-N 0 3 297.363 -1.412 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)Cc1cncn1C ZINC001496207133 893510942 /nfs/dbraw/zinc/51/09/42/893510942.db2.gz NMQYEOGMVBJSBK-VIFPVBQESA-N 0 3 267.333 -1.116 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001496240069 893510609 /nfs/dbraw/zinc/51/06/09/893510609.db2.gz WAXIOGXCMREZDL-MRVPVSSYSA-N 0 3 279.362 -1.657 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)CC(N)=O ZINC001496261515 893511015 /nfs/dbraw/zinc/51/10/15/893511015.db2.gz FEGOPFHXEYBSBP-MRVPVSSYSA-N 0 3 258.322 -1.532 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H](C)NC(N)=O ZINC001496267095 893511637 /nfs/dbraw/zinc/51/16/37/893511637.db2.gz BXSYNGRTZGUJLN-IUCAKERBSA-N 0 3 287.364 -1.351 20 0 CAADHN COC(=O)NCC(=O)N[C@H](CNCC(N)=O)CC(C)C ZINC001496253159 893512381 /nfs/dbraw/zinc/51/23/81/893512381.db2.gz BVYHDXPXTBHWRU-VIFPVBQESA-N 0 3 288.348 -1.052 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)CCn1cnnn1 ZINC001496198411 893512722 /nfs/dbraw/zinc/51/27/22/893512722.db2.gz XKIONLFWINAPDZ-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cn1ccnc1 ZINC001496245401 893512963 /nfs/dbraw/zinc/51/29/63/893512963.db2.gz UCKWXECZHPZCMU-SECBINFHSA-N 0 3 296.331 -1.486 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CCn1cnnn1)C(N)=O ZINC001496192410 893513413 /nfs/dbraw/zinc/51/34/13/893513413.db2.gz CIHPWZZUXJBNIR-DTWKUNHWSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)c1nc[n-]n1 ZINC001496187458 893513882 /nfs/dbraw/zinc/51/38/82/893513882.db2.gz XXSFUFCUOPAGBP-HTQZYQBOSA-N 0 3 294.315 -1.340 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001496228120 893514305 /nfs/dbraw/zinc/51/43/05/893514305.db2.gz XILOQWILSKFSID-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)Cn1cncn1 ZINC001496226782 893514904 /nfs/dbraw/zinc/51/49/04/893514904.db2.gz NJRMUBABECJCLH-NXEZZACHSA-N 0 3 282.348 -1.151 20 0 CAADHN C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNCC(N)=O ZINC001496466013 893520006 /nfs/dbraw/zinc/52/00/06/893520006.db2.gz MTNSRBIDXGIXFD-NXEZZACHSA-N 0 3 295.347 -1.625 20 0 CAADHN CC[C@@H](C(=O)N(C)CCNC(=O)C(N)=O)N(C)C ZINC001496491298 893520342 /nfs/dbraw/zinc/52/03/42/893520342.db2.gz HBIMWVXSFNSNCD-QMMMGPOBSA-N 0 3 258.322 -1.614 20 0 CAADHN C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNCC(N)=O ZINC001496481884 893520780 /nfs/dbraw/zinc/52/07/80/893520780.db2.gz XFYKRSXBKRAPNG-RKDXNWHRSA-N 0 3 295.347 -1.474 20 0 CAADHN C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@@H]1CNCC(N)=O ZINC001496481878 893521709 /nfs/dbraw/zinc/52/17/09/893521709.db2.gz XFYKRSXBKRAPNG-DTWKUNHWSA-N 0 3 295.347 -1.474 20 0 CAADHN C[C@@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNCC(N)=O ZINC001496466019 893521828 /nfs/dbraw/zinc/52/18/28/893521828.db2.gz MTNSRBIDXGIXFD-ZJUUUORDSA-N 0 3 295.347 -1.625 20 0 CAADHN CC(C)[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)NCC(N)=O ZINC001496610898 893523932 /nfs/dbraw/zinc/52/39/32/893523932.db2.gz GAOXVHPMJJMDJB-NXEZZACHSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(C)[C@H](CNC(=O)CS(C)(=O)=O)NCC(N)=O ZINC001496533139 893525295 /nfs/dbraw/zinc/52/52/95/893525295.db2.gz WUWTWEWYCILJCJ-QMMMGPOBSA-N 0 3 279.362 -1.753 20 0 CAADHN CC(C)[C@H](CNC(=O)C(=O)NCC(F)F)NCC(N)=O ZINC001496576078 893526124 /nfs/dbraw/zinc/52/61/24/893526124.db2.gz TZNAXTHXNHQFRI-ZETCQYMHSA-N 0 3 294.302 -1.417 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@@H]1CCNC1=O)C(C)C ZINC001496590444 893526160 /nfs/dbraw/zinc/52/61/60/893526160.db2.gz PKTMCZVRXLDJEP-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(N)=O ZINC001496597824 893526633 /nfs/dbraw/zinc/52/66/33/893526633.db2.gz LOUKAPXNJYKNBT-VHSXEESVSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)[C@@H](CNC(=O)CC(N)=O)NCCS(C)(=O)=O ZINC001496534721 893526809 /nfs/dbraw/zinc/52/68/09/893526809.db2.gz QDPBNNOHKNNNQY-SECBINFHSA-N 0 3 293.389 -1.363 20 0 CAADHN CCCNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)CC ZINC001496922406 893534244 /nfs/dbraw/zinc/53/42/44/893534244.db2.gz ICXCDIWFYUIBIG-SECBINFHSA-N 0 3 288.348 -1.301 20 0 CAADHN CN(CCCO)CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001496801347 893535310 /nfs/dbraw/zinc/53/53/10/893535310.db2.gz NPBNSEWBKLVWMF-UHFFFAOYSA-N 0 3 285.344 -1.188 20 0 CAADHN COCCC(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001496924123 893536471 /nfs/dbraw/zinc/53/64/71/893536471.db2.gz CLRVTDQTQVLWDB-ZJUUUORDSA-N 0 3 273.333 -1.632 20 0 CAADHN CCNC(=O)CN(C)CCN(C)C(=O)Cc1ncn[nH]1 ZINC001496820010 893536870 /nfs/dbraw/zinc/53/68/70/893536870.db2.gz VPHBSJXPSDJSMO-UHFFFAOYSA-N 0 3 282.348 -1.127 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)C(C)(F)F)C1=O ZINC001496925767 893540788 /nfs/dbraw/zinc/54/07/88/893540788.db2.gz LQNSSRLETKBMQC-SFYZADRCSA-N 0 3 279.287 -1.061 20 0 CAADHN Cc1nnsc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001496936107 893540858 /nfs/dbraw/zinc/54/08/58/893540858.db2.gz JGQXOXIQSHOKPC-RNFRBKRXSA-N 0 3 287.345 -1.599 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1CCOCC1)NC1CC1 ZINC001496934703 893541262 /nfs/dbraw/zinc/54/12/62/893541262.db2.gz XHWRWHXXUCFSHW-GFCCVEGCSA-N 0 3 299.371 -1.242 20 0 CAADHN CC(F)(F)C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001496933679 893541395 /nfs/dbraw/zinc/54/13/95/893541395.db2.gz QQRLEEUMKZBQPS-QMMMGPOBSA-N 0 3 279.287 -1.059 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1CCOCC1)NC1CC1 ZINC001496934704 893541471 /nfs/dbraw/zinc/54/14/71/893541471.db2.gz XHWRWHXXUCFSHW-LBPRGKRZSA-N 0 3 299.371 -1.242 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C(C)(C)F)C(=O)NC(N)=O ZINC001496933097 893542159 /nfs/dbraw/zinc/54/21/59/893542159.db2.gz NEOLNABGCDNWOD-NKWVEPMBSA-N 0 3 292.311 -1.615 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C1CCC1 ZINC001496926105 893543029 /nfs/dbraw/zinc/54/30/29/893543029.db2.gz OBNMFQIEVZTSMF-MRVPVSSYSA-N 0 3 272.305 -1.952 20 0 CAADHN CCC(=O)NC[C@@H](O)CNCCN(C)S(C)(=O)=O ZINC001496925930 893543078 /nfs/dbraw/zinc/54/30/78/893543078.db2.gz XIILIQSMAQFPOM-VIFPVBQESA-N 0 3 281.378 -1.646 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1CC1)NC(=O)NC1CC1 ZINC001496926426 893543119 /nfs/dbraw/zinc/54/31/19/893543119.db2.gz PHVLKLQVLLJXGI-JTQLQIEISA-N 0 3 298.343 -1.549 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)cn1 ZINC001496935240 893543160 /nfs/dbraw/zinc/54/31/60/893543160.db2.gz BWDNUNYPSCYVMX-MNOVXSKESA-N 0 3 295.343 -1.669 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)cn1 ZINC001496935232 893543493 /nfs/dbraw/zinc/54/34/93/893543493.db2.gz BWDNUNYPSCYVMX-GHMZBOCLSA-N 0 3 295.343 -1.669 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1cnccn1 ZINC001496927934 893544113 /nfs/dbraw/zinc/54/41/13/893544113.db2.gz PHHCPIGQBMXCEK-ZJUUUORDSA-N 0 3 293.327 -1.565 20 0 CAADHN CC(C)CC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001496926804 893544363 /nfs/dbraw/zinc/54/43/63/893544363.db2.gz BZOLHCXNTLKFRF-VHSXEESVSA-N 0 3 257.334 -1.012 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)Cn2cccn2)C1=O ZINC001496937934 893545154 /nfs/dbraw/zinc/54/51/54/893545154.db2.gz UNQZVGHYDPLRMN-WDEREUQCSA-N 0 3 295.343 -1.820 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001496936442 893545211 /nfs/dbraw/zinc/54/52/11/893545211.db2.gz DESDMMOBLAHTKW-BDAKNGLRSA-N 0 3 297.319 -2.982 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001496939106 893545805 /nfs/dbraw/zinc/54/58/05/893545805.db2.gz ODTIPOWEFBBBFC-JGVFFNPUSA-N 0 3 295.299 -2.249 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001496940892 893546182 /nfs/dbraw/zinc/54/61/82/893546182.db2.gz YBGUIIHWYIRKBJ-ZETCQYMHSA-N 0 3 271.281 -3.514 20 0 CAADHN CC(C)C(=O)NC[C@@H](O)CNCCN(C)S(C)(=O)=O ZINC001496941188 893546885 /nfs/dbraw/zinc/54/68/85/893546885.db2.gz RDSLHEWZPFNCOB-JTQLQIEISA-N 0 3 295.405 -1.400 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1C=CCC1 ZINC001496940236 893546976 /nfs/dbraw/zinc/54/69/76/893546976.db2.gz USPAUHNYYZUXBF-VHSXEESVSA-N 0 3 298.343 -1.396 20 0 CAADHN CCCN(C)CC(=O)N(CC)CCNC(=O)C(N)=O ZINC001496936723 893547191 /nfs/dbraw/zinc/54/71/91/893547191.db2.gz YICGQOWDWKOPMQ-UHFFFAOYSA-N 0 3 272.349 -1.222 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cc(C)n[nH]1)C(N)=O ZINC001496943811 893547595 /nfs/dbraw/zinc/54/75/95/893547595.db2.gz HWESKLKVAUCENR-DTWKUNHWSA-N 0 3 283.332 -1.338 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)[nH]n1 ZINC001496943699 893548066 /nfs/dbraw/zinc/54/80/66/893548066.db2.gz CQFKBIUBGUTZDZ-QMMMGPOBSA-N 0 3 269.305 -1.862 20 0 CAADHN O=C(Cn1cccn1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001496938349 893548448 /nfs/dbraw/zinc/54/84/48/893548448.db2.gz VYPSSKNYQKZMNJ-QWRGUYRKSA-N 0 3 295.343 -1.772 20 0 CAADHN CC(C)C(=O)NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O ZINC001496940062 893548698 /nfs/dbraw/zinc/54/86/98/893548698.db2.gz KPKANYCNPLAHFE-RKDXNWHRSA-N 0 3 271.317 -1.486 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cc(C)n[nH]1)C(N)=O ZINC001496943812 893548851 /nfs/dbraw/zinc/54/88/51/893548851.db2.gz HWESKLKVAUCENR-IUCAKERBSA-N 0 3 283.332 -1.338 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CNCC(N)=O)[nH]n1 ZINC001496943698 893549153 /nfs/dbraw/zinc/54/91/53/893549153.db2.gz CQFKBIUBGUTZDZ-MRVPVSSYSA-N 0 3 269.305 -1.862 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001496936453 893549238 /nfs/dbraw/zinc/54/92/38/893549238.db2.gz DESDMMOBLAHTKW-RKDXNWHRSA-N 0 3 297.319 -2.982 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CN1CCCC1=O ZINC001496939819 893549573 /nfs/dbraw/zinc/54/95/73/893549573.db2.gz RNVCWIJXEJCXNS-VIFPVBQESA-N 0 3 286.332 -2.579 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001496939110 893549600 /nfs/dbraw/zinc/54/96/00/893549600.db2.gz ODTIPOWEFBBBFC-SFYZADRCSA-N 0 3 295.299 -2.249 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001496944129 893549719 /nfs/dbraw/zinc/54/97/19/893549719.db2.gz LJKGKNSQURFACE-MRVPVSSYSA-N 0 3 255.278 -2.164 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001496939951 893549793 /nfs/dbraw/zinc/54/97/93/893549793.db2.gz SQCACCOIZDTOTC-MRVPVSSYSA-N 0 3 285.308 -3.124 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccnn1C)C(N)=O ZINC001496947643 893550324 /nfs/dbraw/zinc/55/03/24/893550324.db2.gz ARTIEPNYUUKQNU-HTQZYQBOSA-N 0 3 269.305 -2.026 20 0 CAADHN C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1ccccc1[O-])C(N)=O ZINC001496947300 893551339 /nfs/dbraw/zinc/55/13/39/893551339.db2.gz VGOXEPUNERVTSQ-BDAKNGLRSA-N 0 3 281.312 -1.054 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001496946174 893551372 /nfs/dbraw/zinc/55/13/72/893551372.db2.gz YWMWNTFVEJIXOA-LLVKDONJSA-N 0 3 297.359 -1.138 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)c1cocn1)C1CC1 ZINC001496949372 893552092 /nfs/dbraw/zinc/55/20/92/893552092.db2.gz IYAPASXWMLQVGU-JTQLQIEISA-N 0 3 296.327 -1.024 20 0 CAADHN CC(C)SCC(=O)NC[C@H](O)CNCC(N)=O ZINC001496945416 893553459 /nfs/dbraw/zinc/55/34/59/893553459.db2.gz NMKLLTKXCWRRRV-MRVPVSSYSA-N 0 3 263.363 -1.320 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)OC ZINC001496949803 893554000 /nfs/dbraw/zinc/55/40/00/893554000.db2.gz CDTGOLQJCDRSQL-JGVFFNPUSA-N 0 3 290.320 -2.456 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cocn1)C(=O)N(C)C ZINC001496948176 893554581 /nfs/dbraw/zinc/55/45/81/893554581.db2.gz BYYXLTZQLXVHKA-RKDXNWHRSA-N 0 3 284.316 -1.168 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NC[C@@H](O)CNCCF ZINC001496998411 893578329 /nfs/dbraw/zinc/57/83/29/893578329.db2.gz YUZPCDOSGYFXHN-BDAKNGLRSA-N 0 3 261.297 -1.451 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001496949263 893554809 /nfs/dbraw/zinc/55/48/09/893554809.db2.gz BMTRPCNRJLYIJA-WDEREUQCSA-N 0 3 287.360 -1.386 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccnn1C ZINC001496951347 893555616 /nfs/dbraw/zinc/55/56/16/893555616.db2.gz UTQGLYHOWGYIPZ-BDAKNGLRSA-N 0 3 283.332 -1.765 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1cc(C)on1 ZINC001496954111 893555810 /nfs/dbraw/zinc/55/58/10/893555810.db2.gz DMIQDBQZUJFLNN-KOLCDFICSA-N 0 3 298.343 -1.273 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1cc[nH]n1)C(N)=O ZINC001496956753 893555890 /nfs/dbraw/zinc/55/58/90/893555890.db2.gz CBHQQTNGHLOBTM-VXNVDRBHSA-N 0 3 269.305 -2.107 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCOC1)NC1CC1 ZINC001496953672 893556195 /nfs/dbraw/zinc/55/61/95/893556195.db2.gz QDXHDWYYFWXLJT-KOLCDFICSA-N 0 3 285.344 -1.632 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001496950994 893557208 /nfs/dbraw/zinc/55/72/08/893557208.db2.gz RSHCWPQRNQAHRY-GHMZBOCLSA-N 0 3 295.343 -1.735 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2ccnn2C)n[nH]1 ZINC001496951300 893557419 /nfs/dbraw/zinc/55/74/19/893557419.db2.gz UCZMXKJKMIXWOI-VIFPVBQESA-N 0 3 293.331 -1.273 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1cc[nH]n1)C(N)=O ZINC001496956750 893557709 /nfs/dbraw/zinc/55/77/09/893557709.db2.gz CBHQQTNGHLOBTM-APPZFPTMSA-N 0 3 269.305 -2.107 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1cc(C)on1 ZINC001496954112 893558041 /nfs/dbraw/zinc/55/80/41/893558041.db2.gz DMIQDBQZUJFLNN-MWLCHTKSSA-N 0 3 298.343 -1.273 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCOC1)NC1CC1 ZINC001496953670 893558317 /nfs/dbraw/zinc/55/83/17/893558317.db2.gz QDXHDWYYFWXLJT-GXSJLCMTSA-N 0 3 285.344 -1.632 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C(C)C ZINC001496954937 893558480 /nfs/dbraw/zinc/55/84/80/893558480.db2.gz XTQHXFQGEGCTEL-WDEREUQCSA-N 0 3 289.376 -1.045 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1cc[nH]n1)C(N)=O ZINC001496956751 893558579 /nfs/dbraw/zinc/55/85/79/893558579.db2.gz CBHQQTNGHLOBTM-CBAPKCEASA-N 0 3 269.305 -2.107 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1ccon1 ZINC001496957112 893559643 /nfs/dbraw/zinc/55/96/43/893559643.db2.gz GLZFNCUELLYHTQ-JTQLQIEISA-N 0 3 284.316 -1.628 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1cc(C)on1 ZINC001496954113 893559797 /nfs/dbraw/zinc/55/97/97/893559797.db2.gz DMIQDBQZUJFLNN-ONGXEEELSA-N 0 3 298.343 -1.273 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1nnn(C)c1C)C(N)=O ZINC001496957527 893560009 /nfs/dbraw/zinc/56/00/09/893560009.db2.gz JVGMRMPYIXXCLA-BDAKNGLRSA-N 0 3 298.347 -1.932 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1nnn(C)c1C)C(N)=O ZINC001496957528 893560075 /nfs/dbraw/zinc/56/00/75/893560075.db2.gz JVGMRMPYIXXCLA-DTWKUNHWSA-N 0 3 298.347 -1.932 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cncnc1)C(=O)N(C)C ZINC001496969541 893560629 /nfs/dbraw/zinc/56/06/29/893560629.db2.gz RUBPAKPAOZQLCV-MWLCHTKSSA-N 0 3 295.343 -1.366 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1CC=CC1)C(N)=O ZINC001496960063 893560968 /nfs/dbraw/zinc/56/09/68/893560968.db2.gz YNNFAYXVYGZNGE-WCBMZHEXSA-N 0 3 255.318 -1.107 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001496969613 893561227 /nfs/dbraw/zinc/56/12/27/893561227.db2.gz ULPHSAKMTULHIL-GXSJLCMTSA-N 0 3 285.344 -1.466 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CNCCF)nnn1C ZINC001496958245 893561716 /nfs/dbraw/zinc/56/17/16/893561716.db2.gz PLRIFRXXCRUKJD-MRVPVSSYSA-N 0 3 259.285 -1.227 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cncc(F)c1 ZINC001496965558 893561908 /nfs/dbraw/zinc/56/19/08/893561908.db2.gz VOTQPDIHOWLXLN-NSHDSACASA-N 0 3 298.318 -1.011 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001496961406 893562098 /nfs/dbraw/zinc/56/20/98/893562098.db2.gz OQMLWTBFKWOTPD-REIXXSIJSA-N 0 3 298.343 -1.706 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CC(N)=O)C(=O)NC1CC1 ZINC001496958213 893562731 /nfs/dbraw/zinc/56/27/31/893562731.db2.gz OZPOFPNKNQRUDH-IONNQARKSA-N 0 3 286.332 -2.404 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001496961985 893562839 /nfs/dbraw/zinc/56/28/39/893562839.db2.gz SRVVDECVMOWDRF-BDAKNGLRSA-N 0 3 282.300 -1.448 20 0 CAADHN CC[C@H](SC)C(=O)NC[C@H](O)CNCC(N)=O ZINC001496965391 893562924 /nfs/dbraw/zinc/56/29/24/893562924.db2.gz OTRMHNAAQCNTIB-SFYZADRCSA-N 0 3 263.363 -1.320 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CC[C@@H]1CCOC1 ZINC001496967768 893563263 /nfs/dbraw/zinc/56/32/63/893563263.db2.gz YYGLSRMPMAVAEX-MNOVXSKESA-N 0 3 287.360 -1.384 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnccc1C ZINC001496958608 893563499 /nfs/dbraw/zinc/56/34/99/893563499.db2.gz RNXQEUFGTOIFCW-SNVBAGLBSA-N 0 3 280.328 -1.184 20 0 CAADHN O=C(Cc1cccnc1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001496963650 893564072 /nfs/dbraw/zinc/56/40/72/893564072.db2.gz JOZOTUNLNYNZTL-VXGBXAGGSA-N 0 3 292.339 -1.421 20 0 CAADHN C/C=C(\C)C(=O)NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O ZINC001496965781 893564258 /nfs/dbraw/zinc/56/42/58/893564258.db2.gz HLJSYLGRDCOKSF-ZCFALZCBSA-N 0 3 283.328 -1.176 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CC(N)=O)C(=O)NC1CC1 ZINC001496958212 893564508 /nfs/dbraw/zinc/56/45/08/893564508.db2.gz OZPOFPNKNQRUDH-CBAPKCEASA-N 0 3 286.332 -2.404 20 0 CAADHN CCn1ccnc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001496969698 893564537 /nfs/dbraw/zinc/56/45/37/893564537.db2.gz HEPXJWABJTZWRE-QMMMGPOBSA-N 0 3 269.305 -1.931 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)Cc2ccon2)C1=O ZINC001496958190 893564924 /nfs/dbraw/zinc/56/49/24/893564924.db2.gz OSQHCBAASMUQTI-GHMZBOCLSA-N 0 3 296.327 -1.486 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1CC=CC1)C(N)=O ZINC001496960060 893565053 /nfs/dbraw/zinc/56/50/53/893565053.db2.gz YNNFAYXVYGZNGE-PSASIEDQSA-N 0 3 255.318 -1.107 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ncn(C)n1)C(N)=O ZINC001496976802 893565493 /nfs/dbraw/zinc/56/54/93/893565493.db2.gz GTXISEIYEYSTMG-HTQZYQBOSA-N 0 3 284.320 -2.241 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001496978968 893565610 /nfs/dbraw/zinc/56/56/10/893565610.db2.gz MLCFDZXFDBZVHK-CWSCBRNRSA-N 0 3 285.344 -1.822 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1 ZINC001496978280 893566334 /nfs/dbraw/zinc/56/63/34/893566334.db2.gz ZUAUHQBRROJDOX-BDAKNGLRSA-N 0 3 296.331 -2.133 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ncn(C)n1)C(N)=O ZINC001496976806 893566518 /nfs/dbraw/zinc/56/65/18/893566518.db2.gz GTXISEIYEYSTMG-YUMQZZPRSA-N 0 3 284.320 -2.241 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001496976040 893566948 /nfs/dbraw/zinc/56/69/48/893566948.db2.gz LASZFZIGXMJXJI-ZJUUUORDSA-N 0 3 297.315 -1.905 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001496977618 893567168 /nfs/dbraw/zinc/56/71/68/893567168.db2.gz PEGKUOMQVQWFFU-HTQZYQBOSA-N 0 3 284.320 -2.148 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnnn1C ZINC001496973951 893567354 /nfs/dbraw/zinc/56/73/54/893567354.db2.gz AAGMUYQFLXMGDK-SSDOTTSWSA-N 0 3 270.293 -2.759 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1 ZINC001496978282 893567975 /nfs/dbraw/zinc/56/79/75/893567975.db2.gz ZUAUHQBRROJDOX-IUCAKERBSA-N 0 3 296.331 -2.133 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001496978111 893568581 /nfs/dbraw/zinc/56/85/81/893568581.db2.gz VZAPVKSYJKZROA-YUMQZZPRSA-N 0 3 279.287 -1.204 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001496978969 893568945 /nfs/dbraw/zinc/56/89/45/893568945.db2.gz MLCFDZXFDBZVHK-KWBADKCTSA-N 0 3 285.344 -1.822 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)n1 ZINC001496977085 893569086 /nfs/dbraw/zinc/56/90/86/893569086.db2.gz JPDNVCJREPVUHK-RKDXNWHRSA-N 0 3 296.331 -2.274 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001496978283 893569678 /nfs/dbraw/zinc/56/96/78/893569678.db2.gz ZUAUHQBRROJDOX-RKDXNWHRSA-N 0 3 296.331 -2.133 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001496983725 893570640 /nfs/dbraw/zinc/57/06/40/893570640.db2.gz PJZRCGTVOUAPAJ-MRVPVSSYSA-N 0 3 285.308 -3.124 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001496980994 893571155 /nfs/dbraw/zinc/57/11/55/893571155.db2.gz HBUKTMNGMNEXFN-JTQLQIEISA-N 0 3 283.332 -2.225 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)cc(C)n1 ZINC001496987574 893571303 /nfs/dbraw/zinc/57/13/03/893571303.db2.gz UANMRZBDGZOHIH-NSHDSACASA-N 0 3 280.328 -1.136 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)nn1 ZINC001496980368 893571796 /nfs/dbraw/zinc/57/17/96/893571796.db2.gz NRUQGQNXIAMRDE-BDAKNGLRSA-N 0 3 281.316 -1.661 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CNC(=O)c2ncc[nH]2)C1=O ZINC001496979854 893572260 /nfs/dbraw/zinc/57/22/60/893572260.db2.gz KMYVUKOGRSBDAU-UWVGGRQHSA-N 0 3 295.343 -1.289 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1c[nH]cn1)C(N)=O ZINC001496990213 893573317 /nfs/dbraw/zinc/57/33/17/893573317.db2.gz KSFISYITEBIKGB-WCBMZHEXSA-N 0 3 283.332 -1.717 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](O)CNC/C=C\Cl ZINC001496979667 893573774 /nfs/dbraw/zinc/57/37/74/893573774.db2.gz BIZJZAWGCNFQBM-SLYZXXNYSA-N 0 3 274.712 -1.508 20 0 CAADHN O=C(NC[C@H](O)CNCCF)c1cccn2nnnc12 ZINC001496988152 893574102 /nfs/dbraw/zinc/57/41/02/893574102.db2.gz WUTFPQRDKGWXOX-MRVPVSSYSA-N 0 3 282.279 -1.226 20 0 CAADHN Cn1ccc(CC(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1 ZINC001496985519 893574238 /nfs/dbraw/zinc/57/42/38/893574238.db2.gz SEBTXLMTKHTBSI-MNOVXSKESA-N 0 3 295.343 -2.082 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1(C(F)F)CC1 ZINC001496984938 893574753 /nfs/dbraw/zinc/57/47/53/893574753.db2.gz RCUBVNDOZBLODE-LURJTMIESA-N 0 3 265.260 -1.416 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)c1cccn2nnnc12 ZINC001496988153 893574966 /nfs/dbraw/zinc/57/49/66/893574966.db2.gz WUTFPQRDKGWXOX-QMMMGPOBSA-N 0 3 282.279 -1.226 20 0 CAADHN Cc1ncc(CC(=O)NC[C@H](O)CNCC(N)=O)o1 ZINC001496994288 893575344 /nfs/dbraw/zinc/57/53/44/893575344.db2.gz GFPSLRBCOAORNO-MRVPVSSYSA-N 0 3 270.289 -1.922 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](O)CNCc1cccnc1 ZINC001496993739 893575445 /nfs/dbraw/zinc/57/54/45/893575445.db2.gz RSFVSMZZISBOLP-LLVKDONJSA-N 0 3 295.343 -1.423 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001496999181 893575754 /nfs/dbraw/zinc/57/57/54/893575754.db2.gz SYKSMDOFZLHUKU-YUMQZZPRSA-N 0 3 297.315 -2.666 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](O)CNCc1cccnc1 ZINC001496993740 893576349 /nfs/dbraw/zinc/57/63/49/893576349.db2.gz RSFVSMZZISBOLP-NSHDSACASA-N 0 3 295.343 -1.423 20 0 CAADHN CCOCC[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001497002187 893576462 /nfs/dbraw/zinc/57/64/62/893576462.db2.gz KMSFAWVQUWYMER-VIFPVBQESA-N 0 3 284.316 -1.101 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001496991916 893576833 /nfs/dbraw/zinc/57/68/33/893576833.db2.gz FODKDXFDWLQGND-QMMMGPOBSA-N 0 3 288.348 -2.347 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NC[C@H](O)CNCCF ZINC001496998420 893577480 /nfs/dbraw/zinc/57/74/80/893577480.db2.gz YUZPCDOSGYFXHN-RKDXNWHRSA-N 0 3 261.297 -1.451 20 0 CAADHN CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001497004274 893577999 /nfs/dbraw/zinc/57/79/99/893577999.db2.gz VZUQVDZJZOIITQ-DTWKUNHWSA-N 0 3 284.316 -1.103 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1(F)CCOCC1)C(N)=O ZINC001496991265 893578217 /nfs/dbraw/zinc/57/82/17/893578217.db2.gz QBZKGSFDQIHWQU-BDAKNGLRSA-N 0 3 291.323 -1.554 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccnnc1C ZINC001497008716 893579582 /nfs/dbraw/zinc/57/95/82/893579582.db2.gz LDGKVGRUDMFAIU-SECBINFHSA-N 0 3 281.316 -1.789 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001497009958 893579816 /nfs/dbraw/zinc/57/98/16/893579816.db2.gz JMCKSLOQIYJYPD-GXSJLCMTSA-N 0 3 295.343 -2.003 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cncn1C)C(=O)N(C)C ZINC001497010492 893579895 /nfs/dbraw/zinc/57/98/95/893579895.db2.gz YYZKGIOOEGIUOQ-NXEZZACHSA-N 0 3 297.359 -1.423 20 0 CAADHN CC(F)(F)CCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001497009236 893580934 /nfs/dbraw/zinc/58/09/34/893580934.db2.gz GMLRJQNUPAXZPW-ZETCQYMHSA-N 0 3 267.276 -1.026 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001497017444 893581351 /nfs/dbraw/zinc/58/13/51/893581351.db2.gz JCICYSKETWQAEM-GYSYKLTISA-N 0 3 299.371 -1.242 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cccc2nccn21 ZINC001497018311 893581949 /nfs/dbraw/zinc/58/19/49/893581949.db2.gz ROBYTVFTEIQYMD-SECBINFHSA-N 0 3 291.311 -1.500 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccnnc1C ZINC001497009507 893582342 /nfs/dbraw/zinc/58/23/42/893582342.db2.gz UDBVLVUGHPCPBI-VHSXEESVSA-N 0 3 295.343 -1.400 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cncn1C)C(=O)N(C)C ZINC001497010510 893582479 /nfs/dbraw/zinc/58/24/79/893582479.db2.gz YYZKGIOOEGIUOQ-VHSXEESVSA-N 0 3 297.359 -1.423 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccn(C)c(=O)c1)C(N)=O ZINC001497013159 893582549 /nfs/dbraw/zinc/58/25/49/893582549.db2.gz WDZLCBPCHABWLV-WPRPVWTQSA-N 0 3 296.327 -2.061 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccnnc1C ZINC001497008717 893582821 /nfs/dbraw/zinc/58/28/21/893582821.db2.gz LDGKVGRUDMFAIU-VIFPVBQESA-N 0 3 281.316 -1.789 20 0 CAADHN Cc1nccc(CCC(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001497025926 893583459 /nfs/dbraw/zinc/58/34/59/893583459.db2.gz WBKCLGPSWWAORY-LLVKDONJSA-N 0 3 295.343 -1.730 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](O)CNCC(N)=O)C=CCC1 ZINC001497034871 893583727 /nfs/dbraw/zinc/58/37/27/893583727.db2.gz ZBRHJBVHUFAKMC-CABZTGNLSA-N 0 3 255.318 -1.105 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001497033213 893583755 /nfs/dbraw/zinc/58/37/55/893583755.db2.gz JMOLCNBDOJVMGP-YUMQZZPRSA-N 0 3 272.305 -3.065 20 0 CAADHN Cc1ccn([C@H](C)CC(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001497031731 893583960 /nfs/dbraw/zinc/58/39/60/893583960.db2.gz FBQGLMQJZXCCDH-MNOVXSKESA-N 0 3 297.359 -1.305 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CN1CCNC(=O)C1 ZINC001497032681 893583991 /nfs/dbraw/zinc/58/39/91/893583991.db2.gz LWAQTPZBUXVZPS-QMMMGPOBSA-N 0 3 287.320 -4.030 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001497034591 893584070 /nfs/dbraw/zinc/58/40/70/893584070.db2.gz QEVDEMIVVMSKEB-OPRDCNLKSA-N 0 3 257.334 -1.203 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCNC1=O)NC1CC1 ZINC001497034192 893584162 /nfs/dbraw/zinc/58/41/62/893584162.db2.gz ODUKBXDXLQNOBH-NXEZZACHSA-N 0 3 298.343 -2.532 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001497033211 893584306 /nfs/dbraw/zinc/58/43/06/893584306.db2.gz JMOLCNBDOJVMGP-JGVFFNPUSA-N 0 3 272.305 -3.065 20 0 CAADHN COc1ccc(F)cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001497028378 893584338 /nfs/dbraw/zinc/58/43/38/893584338.db2.gz JKKSQJYVWIORNW-SECBINFHSA-N 0 3 299.302 -1.000 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](O)CNCC(N)=O)C=CCC1 ZINC001497034870 893584798 /nfs/dbraw/zinc/58/47/98/893584798.db2.gz ZBRHJBVHUFAKMC-BXKDBHETSA-N 0 3 255.318 -1.105 20 0 CAADHN O=C(NC[C@H](O)CNCc1ccns1)[C@@H]1CCNC1=O ZINC001497034582 893584825 /nfs/dbraw/zinc/58/48/25/893584825.db2.gz QCGSQCYGSCDLSS-PSASIEDQSA-N 0 3 298.368 -1.154 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CCn1ccnc1 ZINC001497027390 893584887 /nfs/dbraw/zinc/58/48/87/893584887.db2.gz DUROEBPVZPYSPQ-QWRGUYRKSA-N 0 3 297.359 -1.526 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001497031441 893585049 /nfs/dbraw/zinc/58/50/49/893585049.db2.gz DFCWIHOZHSQJJO-RKDXNWHRSA-N 0 3 283.332 -1.717 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CNCc2ccccn2)n1 ZINC001497031590 893585647 /nfs/dbraw/zinc/58/56/47/893585647.db2.gz DVYHJSLIXQENHC-JTQLQIEISA-N 0 3 291.315 -1.514 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001497032834 893586435 /nfs/dbraw/zinc/58/64/35/893586435.db2.gz MCCVRHHABIGRBR-SFYZADRCSA-N 0 3 299.335 -2.633 20 0 CAADHN O=C(NC[C@@H](O)CNCc1ccns1)[C@H]1CCNC1=O ZINC001497034588 893586988 /nfs/dbraw/zinc/58/69/88/893586988.db2.gz QCGSQCYGSCDLSS-WPRPVWTQSA-N 0 3 298.368 -1.154 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1csc(=O)[nH]1)C(N)=O ZINC001497036259 893587961 /nfs/dbraw/zinc/58/79/61/893587961.db2.gz FJNKOGURQGNHDE-WDSKDSINSA-N 0 3 288.329 -1.597 20 0 CAADHN Cc1ncccc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497047918 893588016 /nfs/dbraw/zinc/58/80/16/893588016.db2.gz BDUNCUGPWKWQPX-VIFPVBQESA-N 0 3 266.301 -1.444 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)CCCF ZINC001497035734 893588296 /nfs/dbraw/zinc/58/82/96/893588296.db2.gz ZBYJZMSOAFIUGD-ZETCQYMHSA-N 0 3 278.284 -2.002 20 0 CAADHN CCc1ncoc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001497044982 893589302 /nfs/dbraw/zinc/58/93/02/893589302.db2.gz DFGTVZFSSQECTL-JGVFFNPUSA-N 0 3 284.316 -1.209 20 0 CAADHN CCc1ncoc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001497044984 893589536 /nfs/dbraw/zinc/58/95/36/893589536.db2.gz DFGTVZFSSQECTL-YUMQZZPRSA-N 0 3 284.316 -1.209 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001497035775 893589573 /nfs/dbraw/zinc/58/95/73/893589573.db2.gz AXQFMJJLAJEHIV-HHHUOAJASA-N 0 3 297.355 -1.824 20 0 CAADHN CN1CCC[C@@H](NC[C@@H](O)CNC(=O)C(N)=O)C1=O ZINC001497047224 893589624 /nfs/dbraw/zinc/58/96/24/893589624.db2.gz MVLPGSCIFSFMDE-HTQZYQBOSA-N 0 3 272.305 -2.841 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1csc(=O)[nH]1)C(N)=O ZINC001497036242 893590013 /nfs/dbraw/zinc/59/00/13/893590013.db2.gz FJNKOGURQGNHDE-NTSWFWBYSA-N 0 3 288.329 -1.597 20 0 CAADHN CC1(C)CC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001497038419 893590588 /nfs/dbraw/zinc/59/05/88/893590588.db2.gz SPQROJLKSSXRHV-BDAKNGLRSA-N 0 3 257.334 -1.025 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)Cc1cnoc1)NC1CC1 ZINC001497040029 893591084 /nfs/dbraw/zinc/59/10/84/893591084.db2.gz KPGBQWCWVXEDTQ-NSHDSACASA-N 0 3 296.327 -1.438 20 0 CAADHN CC(C)(C)CNC(=O)CNC[C@H](O)CNC(=O)C(N)=O ZINC001497050148 893592017 /nfs/dbraw/zinc/59/20/17/893592017.db2.gz VNTCBHRAHWMHKH-QMMMGPOBSA-N 0 3 288.348 -2.299 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CNCCF)C1 ZINC001497058864 893592453 /nfs/dbraw/zinc/59/24/53/893592453.db2.gz SHEWAABTMFTNTK-UTLUCORTSA-N 0 3 275.324 -1.076 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001497061331 893592556 /nfs/dbraw/zinc/59/25/56/893592556.db2.gz GIQYREYOQFKLEG-NXEZZACHSA-N 0 3 269.345 -1.011 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001497058642 893593270 /nfs/dbraw/zinc/59/32/70/893593270.db2.gz RCHHTBVLVXXMBA-TUAOUCFPSA-N 0 3 292.339 -1.230 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)CNCc1ccccn1 ZINC001497058643 893594332 /nfs/dbraw/zinc/59/43/32/893594332.db2.gz RCHHTBVLVXXMBA-UTUOFQBUSA-N 0 3 292.339 -1.230 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001497061441 893594584 /nfs/dbraw/zinc/59/45/84/893594584.db2.gz ANYONVFJTHECJG-MNOVXSKESA-N 0 3 295.343 -1.853 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCOC1 ZINC001497049691 893594787 /nfs/dbraw/zinc/59/47/87/893594787.db2.gz YHEYCMXPUYRNPK-BDAKNGLRSA-N 0 3 259.306 -2.035 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001497062125 893594824 /nfs/dbraw/zinc/59/48/24/893594824.db2.gz DNRVIJHBSQNODE-LBPRGKRZSA-N 0 3 292.343 -1.047 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1conc1C)C(N)=O ZINC001497049151 893595152 /nfs/dbraw/zinc/59/51/52/893595152.db2.gz SIYQZCZRMFYHMH-PSASIEDQSA-N 0 3 284.316 -1.073 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NC[C@H](O)CNCC(=O)NC ZINC001497057902 893595175 /nfs/dbraw/zinc/59/51/75/893595175.db2.gz RGTYCNRJOJURJO-ZJUUUORDSA-N 0 3 288.348 -2.286 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001497057895 893595318 /nfs/dbraw/zinc/59/53/18/893595318.db2.gz RGTYCNRJOJURJO-UWVGGRQHSA-N 0 3 288.348 -2.286 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001497064602 893596266 /nfs/dbraw/zinc/59/62/66/893596266.db2.gz PPZWMSQOYHOTKU-NXEZZACHSA-N 0 3 283.332 -1.868 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cn1nccc1C ZINC001497063981 893596709 /nfs/dbraw/zinc/59/67/09/893596709.db2.gz LCGWTDLBHRZVHP-SNVBAGLBSA-N 0 3 283.332 -1.996 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c(C)n1 ZINC001497064302 893596920 /nfs/dbraw/zinc/59/69/20/893596920.db2.gz NEBVZVXTJBJXHM-VHSXEESVSA-N 0 3 297.359 -1.234 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cn1nccc1C ZINC001497063979 893597144 /nfs/dbraw/zinc/59/71/44/893597144.db2.gz LCGWTDLBHRZVHP-JTQLQIEISA-N 0 3 283.332 -1.996 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cccnn1)C(N)=O ZINC001497076502 893597231 /nfs/dbraw/zinc/59/72/31/893597231.db2.gz AUNAINBUTGGTQO-IUCAKERBSA-N 0 3 281.316 -1.579 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnon1)C(=O)N(C)C ZINC001497076476 893597524 /nfs/dbraw/zinc/59/75/24/893597524.db2.gz AMODHFXRGDZRFU-HTQZYQBOSA-N 0 3 285.304 -1.773 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@H](O)CNCC(N)=O)c1C ZINC001497076379 893597448 /nfs/dbraw/zinc/59/74/48/893597448.db2.gz ODRQUBMJWAQMFC-SNVBAGLBSA-N 0 3 297.359 -1.315 20 0 CAADHN C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](O)CNCC(N)=O ZINC001497067394 893597719 /nfs/dbraw/zinc/59/77/19/893597719.db2.gz GBXOYFASNAXWEO-PSASIEDQSA-N 0 3 283.332 -1.860 20 0 CAADHN CCn1nc(C(=O)NC[C@@H](O)CNCCF)ccc1=O ZINC001497075846 893597728 /nfs/dbraw/zinc/59/77/28/893597728.db2.gz LETVKCZALDMCBS-VIFPVBQESA-N 0 3 286.307 -1.087 20 0 CAADHN CCn1nc(C(=O)NC[C@H](O)CNCCF)ccc1=O ZINC001497075844 893597826 /nfs/dbraw/zinc/59/78/26/893597826.db2.gz LETVKCZALDMCBS-SECBINFHSA-N 0 3 286.307 -1.087 20 0 CAADHN C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497067395 893597938 /nfs/dbraw/zinc/59/79/38/893597938.db2.gz GBXOYFASNAXWEO-SCZZXKLOSA-N 0 3 283.332 -1.860 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccc2c(c1)COC2 ZINC001497069672 893597995 /nfs/dbraw/zinc/59/79/95/893597995.db2.gz BPXRTDXNSOYLSF-GFCCVEGCSA-N 0 3 293.323 -1.118 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccnnc1 ZINC001497064960 893598168 /nfs/dbraw/zinc/59/81/68/893598168.db2.gz YGMQXYMWBKQNJU-SNVBAGLBSA-N 0 3 281.316 -1.707 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)n1 ZINC001497066945 893598421 /nfs/dbraw/zinc/59/84/21/893598421.db2.gz AZYIXJVPYZVDFO-ZJUUUORDSA-N 0 3 295.343 -1.323 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c(C)n1 ZINC001497064301 893598548 /nfs/dbraw/zinc/59/85/48/893598548.db2.gz NEBVZVXTJBJXHM-UWVGGRQHSA-N 0 3 297.359 -1.234 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cccnn1 ZINC001497077533 893598752 /nfs/dbraw/zinc/59/87/52/893598752.db2.gz FYINNGHLFATOFZ-RKDXNWHRSA-N 0 3 279.300 -1.955 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@@H](O)CNCC(N)=O)c1C ZINC001497076377 893598994 /nfs/dbraw/zinc/59/89/94/893598994.db2.gz ODRQUBMJWAQMFC-JTQLQIEISA-N 0 3 297.359 -1.315 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)n1 ZINC001497068307 893599050 /nfs/dbraw/zinc/59/90/50/893599050.db2.gz MZHJBUHTXVEEOK-UWVGGRQHSA-N 0 3 295.343 -1.371 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c(C)n1 ZINC001497064299 893599156 /nfs/dbraw/zinc/59/91/56/893599156.db2.gz NEBVZVXTJBJXHM-NXEZZACHSA-N 0 3 297.359 -1.234 20 0 CAADHN CN(C)c1cc(C(=O)NC[C@@H](O)CNCC(N)=O)ccn1 ZINC001497066432 893599413 /nfs/dbraw/zinc/59/94/13/893599413.db2.gz JUCYKTYFTGYSIB-JTQLQIEISA-N 0 3 295.343 -1.687 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001497064617 893599547 /nfs/dbraw/zinc/59/95/47/893599547.db2.gz PPZWMSQOYHOTKU-UWVGGRQHSA-N 0 3 283.332 -1.868 20 0 CAADHN Cn1cncc1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001497090626 893601049 /nfs/dbraw/zinc/60/10/49/893601049.db2.gz KCEXAWFPOYXKBX-JTQLQIEISA-N 0 3 293.331 -1.652 20 0 CAADHN Cc1conc1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001497082510 893601328 /nfs/dbraw/zinc/60/13/28/893601328.db2.gz MGYAUHTVDAFYEU-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN Cc1conc1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001497081965 893601475 /nfs/dbraw/zinc/60/14/75/893601475.db2.gz KAXOSTAIQDZOPZ-SNVBAGLBSA-N 0 3 296.327 -1.058 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cccnn1 ZINC001497079174 893601785 /nfs/dbraw/zinc/60/17/85/893601785.db2.gz VQXLTMAWTXHBFU-JTQLQIEISA-N 0 3 295.343 -1.317 20 0 CAADHN C[C@H](CC(=O)NC[C@H](O)CNCC(N)=O)n1cccn1 ZINC001497090846 893602114 /nfs/dbraw/zinc/60/21/14/893602114.db2.gz LSEATYVGYGZULC-NXEZZACHSA-N 0 3 283.332 -1.614 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CNCC(=O)NC)nn1 ZINC001497079754 893601982 /nfs/dbraw/zinc/60/19/82/893601982.db2.gz CVYGDEWPHASSDT-MRVPVSSYSA-N 0 3 284.320 -2.276 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCn1cnnn1 ZINC001497079869 893602015 /nfs/dbraw/zinc/60/20/15/893602015.db2.gz GVGOGSXSZSQAEO-QMMMGPOBSA-N 0 3 285.308 -3.124 20 0 CAADHN Cn1cncc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001497090627 893602476 /nfs/dbraw/zinc/60/24/76/893602476.db2.gz KCEXAWFPOYXKBX-SNVBAGLBSA-N 0 3 293.331 -1.652 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H]1CCCN1C(=O)C(N)=O ZINC001497085239 893602560 /nfs/dbraw/zinc/60/25/60/893602560.db2.gz IKQMDLSNWAKEKG-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001497082698 893602598 /nfs/dbraw/zinc/60/25/98/893602598.db2.gz OIKUOQWIKQMOTF-UWVGGRQHSA-N 0 3 296.327 -1.058 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001497082701 893602601 /nfs/dbraw/zinc/60/26/01/893602601.db2.gz OIKUOQWIKQMOTF-VHSXEESVSA-N 0 3 296.327 -1.058 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccnc(C)n1)C(N)=O ZINC001497109683 893603835 /nfs/dbraw/zinc/60/38/35/893603835.db2.gz HQPJJEKBPAJGLL-NXEZZACHSA-N 0 3 295.343 -1.271 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccn(C)n1)C(=O)N(C)C ZINC001497113264 893603892 /nfs/dbraw/zinc/60/38/92/893603892.db2.gz IMNNZBKVMALXCS-NXEZZACHSA-N 0 3 297.359 -1.423 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1cncn1C)C(N)=O ZINC001497103412 893604022 /nfs/dbraw/zinc/60/40/22/893604022.db2.gz COYYMDIQFGUEFU-KOLCDFICSA-N 0 3 297.359 -1.707 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1ccc(F)cc1 ZINC001497103952 893604439 /nfs/dbraw/zinc/60/44/39/893604439.db2.gz JWEQYSIBUXXRQR-NSHDSACASA-N 0 3 283.303 -1.080 20 0 CAADHN COc1cccc(CC(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001497104552 893604556 /nfs/dbraw/zinc/60/45/56/893604556.db2.gz DXBCFUWRZCNWEZ-NSHDSACASA-N 0 3 295.339 -1.210 20 0 CAADHN Cc1c[nH]cc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001497113707 893604737 /nfs/dbraw/zinc/60/47/37/893604737.db2.gz MADGPYQGFCCMQT-IUCAKERBSA-N 0 3 268.317 -1.123 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](O)CNCCF)CCC1 ZINC001497097465 893604758 /nfs/dbraw/zinc/60/47/58/893604758.db2.gz RIOMEWBXIHUDBY-SECBINFHSA-N 0 3 275.324 -1.061 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccn(C)n1)C(=O)N(C)C ZINC001497113265 893604777 /nfs/dbraw/zinc/60/47/77/893604777.db2.gz IMNNZBKVMALXCS-UWVGGRQHSA-N 0 3 297.359 -1.423 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccnc(C)n1)C(N)=O ZINC001497109691 893605045 /nfs/dbraw/zinc/60/50/45/893605045.db2.gz HQPJJEKBPAJGLL-ZJUUUORDSA-N 0 3 295.343 -1.271 20 0 CAADHN Cc1c[nH]cc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001497113966 893605204 /nfs/dbraw/zinc/60/52/04/893605204.db2.gz NFAISLBHIPDANW-ONGXEEELSA-N 0 3 280.328 -1.108 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccn(C)n1)C(=O)N(C)C ZINC001497113266 893605270 /nfs/dbraw/zinc/60/52/70/893605270.db2.gz IMNNZBKVMALXCS-VHSXEESVSA-N 0 3 297.359 -1.423 20 0 CAADHN O=C(CN1C(=O)CCC1=O)NC[C@@H](O)CNCCF ZINC001497112859 893605637 /nfs/dbraw/zinc/60/56/37/893605637.db2.gz HIEDZWBWYIEGFN-QMMMGPOBSA-N 0 3 275.280 -1.828 20 0 CAADHN COc1ccsc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001497093664 893605772 /nfs/dbraw/zinc/60/57/72/893605772.db2.gz CZMNURIYNWXIER-SSDOTTSWSA-N 0 3 287.341 -1.078 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccn(C)n1)C(=O)N(C)C ZINC001497113268 893605813 /nfs/dbraw/zinc/60/58/13/893605813.db2.gz IMNNZBKVMALXCS-ZJUUUORDSA-N 0 3 297.359 -1.423 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)Cn2cncn2)n[nH]1 ZINC001497113785 893606072 /nfs/dbraw/zinc/60/60/72/893606072.db2.gz LRMUWDORALQXJK-VIFPVBQESA-N 0 3 294.319 -2.028 20 0 CAADHN COc1cccc(CC(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001497104551 893606095 /nfs/dbraw/zinc/60/60/95/893606095.db2.gz DXBCFUWRZCNWEZ-LLVKDONJSA-N 0 3 295.339 -1.210 20 0 CAADHN Cn1cc(CCC(=O)NC[C@H](O)CNCC(N)=O)nn1 ZINC001497126473 893607271 /nfs/dbraw/zinc/60/72/71/893607271.db2.gz MKLPWCSOJNRABV-SECBINFHSA-N 0 3 284.320 -2.700 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CNCC(N)=O)sc1C ZINC001497120174 893607507 /nfs/dbraw/zinc/60/75/07/893607507.db2.gz ZBGMRKKEINGEIF-QMMMGPOBSA-N 0 3 286.357 -1.074 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)Cn2ccnc2)cn1 ZINC001497126978 893607867 /nfs/dbraw/zinc/60/78/67/893607867.db2.gz PVSILQCTIHHRFT-LBPRGKRZSA-N 0 3 292.343 -1.117 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](O)CNCc1nncn1C ZINC001497115914 893608226 /nfs/dbraw/zinc/60/82/26/893608226.db2.gz ANAYOIBSLXRDHN-NSHDSACASA-N 0 3 298.391 -1.278 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001497116906 893608294 /nfs/dbraw/zinc/60/82/94/893608294.db2.gz YWDGTOWHGLOUGF-SECBINFHSA-N 0 3 284.320 -2.519 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001497120341 893608440 /nfs/dbraw/zinc/60/84/40/893608440.db2.gz YKEJSFKKBXXHIK-SFYZADRCSA-N 0 3 299.331 -2.722 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001497119568 893608654 /nfs/dbraw/zinc/60/86/54/893608654.db2.gz VLKNTMXUGLWUCN-WCBMZHEXSA-N 0 3 295.343 -1.933 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cn1ccnc1)C(=O)N(C)C ZINC001497127484 893608814 /nfs/dbraw/zinc/60/88/14/893608814.db2.gz VFGSKRSJDAVLDZ-MNOVXSKESA-N 0 3 297.359 -1.574 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497121297 893608961 /nfs/dbraw/zinc/60/89/61/893608961.db2.gz HULIUKPGZDNNAJ-VHSXEESVSA-N 0 3 286.332 -2.451 20 0 CAADHN C[C@H](CCNCc1cnnn1C)NC(=O)Cn1ncnn1 ZINC001497188177 893611057 /nfs/dbraw/zinc/61/10/57/893611057.db2.gz HBAFOGZJAVYOGO-SECBINFHSA-N 0 3 293.335 -1.514 20 0 CAADHN CC[C@@H](C(=O)N1CCC[C@H]1CNC(=O)C(N)=O)N(C)C ZINC001497151281 893611184 /nfs/dbraw/zinc/61/11/84/893611184.db2.gz CNCIJRMICXSBNR-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](CCNCc1cnnn1C)NC(=O)Cn1ncnn1 ZINC001497188178 893611198 /nfs/dbraw/zinc/61/11/98/893611198.db2.gz HBAFOGZJAVYOGO-VIFPVBQESA-N 0 3 293.335 -1.514 20 0 CAADHN C[C@@H](CCNCc1cnnn1C)NC(=O)[C@H]1CCNC1=O ZINC001497241428 893614072 /nfs/dbraw/zinc/61/40/72/893614072.db2.gz NWCMHXXIWMMWBH-ONGXEEELSA-N 0 3 294.359 -1.064 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1COCCO1 ZINC001497360351 893615150 /nfs/dbraw/zinc/61/51/50/893615150.db2.gz NYRCRSFNBSBKQI-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)Cn1ncn(C)c1=O ZINC001497415011 893615657 /nfs/dbraw/zinc/61/56/57/893615657.db2.gz LIJSBFZIWZOLQF-UHFFFAOYSA-N 0 3 298.347 -2.234 20 0 CAADHN CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)CNC(C)=O ZINC001497340706 893616541 /nfs/dbraw/zinc/61/65/41/893616541.db2.gz HHCCZGMQQRNPEY-JTQLQIEISA-N 0 3 298.343 -1.634 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001497428013 893616003 /nfs/dbraw/zinc/61/60/03/893616003.db2.gz NPFHTTLCDDDFME-GMXVVIOVSA-N 0 3 299.371 -1.039 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)Cc1nnc(C)[nH]1 ZINC001497389849 893616026 /nfs/dbraw/zinc/61/60/26/893616026.db2.gz AXAUSVAKMZYNCH-UHFFFAOYSA-N 0 3 282.348 -1.160 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cnnn1CC ZINC001497382802 893616041 /nfs/dbraw/zinc/61/60/41/893616041.db2.gz PPICRQSSRSLYES-UHFFFAOYSA-N 0 3 268.321 -1.165 20 0 CAADHN CCNC(=O)CC(=O)N(CC)CCN[C@H](C)C(N)=O ZINC001497376643 893616322 /nfs/dbraw/zinc/61/63/22/893616322.db2.gz LEPUVCWJDMQIIY-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H](C)NC(N)=O ZINC001497375111 893616585 /nfs/dbraw/zinc/61/65/85/893616585.db2.gz QCVMHVGARWSKBY-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CNC(C)=O ZINC001497340330 893616763 /nfs/dbraw/zinc/61/67/63/893616763.db2.gz ATBLZCAPCSWCLY-JTQLQIEISA-N 0 3 270.333 -1.551 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cn2c(n1)COCC2 ZINC001497407676 893616868 /nfs/dbraw/zinc/61/68/68/893616868.db2.gz NHMUWBCDTFFZMU-UHFFFAOYSA-N 0 3 295.343 -1.050 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CNC(C)=O ZINC001497340332 893616911 /nfs/dbraw/zinc/61/69/11/893616911.db2.gz ATBLZCAPCSWCLY-SNVBAGLBSA-N 0 3 270.333 -1.551 20 0 CAADHN CC(=O)NCC(=O)NC/C=C\CN[C@H](C)C(=O)N(C)C ZINC001497519731 893619291 /nfs/dbraw/zinc/61/92/91/893619291.db2.gz RZBVQIVOIBFZEI-WWQCOOJYSA-N 0 3 284.360 -1.139 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001497487014 893619398 /nfs/dbraw/zinc/61/93/98/893619398.db2.gz XKMNDPPKFICRPP-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@@H](NC/C=C\CNC(=O)CNC(C)=O)C(N)=O ZINC001497518455 893619758 /nfs/dbraw/zinc/61/97/58/893619758.db2.gz IDMWYWNFXYZMIY-UMCURTJPSA-N 0 3 270.333 -1.352 20 0 CAADHN CC[C@H](NC/C=C/CNC(=O)CNC(C)=O)C(N)=O ZINC001497518456 893619831 /nfs/dbraw/zinc/61/98/31/893619831.db2.gz IDMWYWNFXYZMIY-YEZKRMTDSA-N 0 3 270.333 -1.352 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001497437827 893619909 /nfs/dbraw/zinc/61/99/09/893619909.db2.gz ZIDMOJHKGHKYEH-JTQLQIEISA-N 0 3 299.375 -1.464 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001497485223 893620397 /nfs/dbraw/zinc/62/03/97/893620397.db2.gz BYWAMCIMBSOFSP-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CC(=O)NCC(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C ZINC001497519729 893621129 /nfs/dbraw/zinc/62/11/29/893621129.db2.gz RZBVQIVOIBFZEI-OMMCCPJFSA-N 0 3 284.360 -1.139 20 0 CAADHN CNC(=O)NCCC(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001497576977 893622583 /nfs/dbraw/zinc/62/25/83/893622583.db2.gz XVBGBCWRAUBNTA-NWALNABHSA-N 0 3 285.348 -1.559 20 0 CAADHN Cn1cc(C(=O)NC/C=C/CN[C@@H]2CCCNC2=O)nn1 ZINC001497577082 893622742 /nfs/dbraw/zinc/62/27/42/893622742.db2.gz ZTQAIXVBJIKCIY-VMZHVLLKSA-N 0 3 292.343 -1.031 20 0 CAADHN Cn1cc(C(=O)NC/C=C\CN[C@@H]2CCCNC2=O)nn1 ZINC001497577080 893622896 /nfs/dbraw/zinc/62/28/96/893622896.db2.gz ZTQAIXVBJIKCIY-MXQLGCADSA-N 0 3 292.343 -1.031 20 0 CAADHN Cn1cc(C(=O)NC/C=C/CN[C@H]2CCCNC2=O)nn1 ZINC001497577081 893623248 /nfs/dbraw/zinc/62/32/48/893623248.db2.gz ZTQAIXVBJIKCIY-PBKGFPTLSA-N 0 3 292.343 -1.031 20 0 CAADHN CN(C)C(=O)CNC/C=C/CNC(=O)[C@H]1CN(C)CCO1 ZINC001497551202 893623773 /nfs/dbraw/zinc/62/37/73/893623773.db2.gz BELSXFCKDKHGDG-ZYOFXKKJSA-N 0 3 298.387 -1.333 20 0 CAADHN O=C(CN1CCOCC1)NC/C=C\CN[C@H]1CCNC1=O ZINC001497563873 893624024 /nfs/dbraw/zinc/62/40/24/893624024.db2.gz UKISDCDPHUJZFA-BIOMNHJASA-N 0 3 296.371 -1.531 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H](C)NC(N)=O ZINC001497566219 893624246 /nfs/dbraw/zinc/62/42/46/893624246.db2.gz IFAFCHAHUMDNQA-HXQNXIEXSA-N 0 3 285.348 -1.560 20 0 CAADHN CNC(=O)NCCC(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001497576978 893624410 /nfs/dbraw/zinc/62/44/10/893624410.db2.gz XVBGBCWRAUBNTA-TYRPZCRBSA-N 0 3 285.348 -1.559 20 0 CAADHN CCC(=O)NCC(=O)NC/C=C\CN[C@@H](C)C(=O)NC ZINC001497550114 893625102 /nfs/dbraw/zinc/62/51/02/893625102.db2.gz XTDHLEVBRGXELP-OMMCCPJFSA-N 0 3 284.360 -1.091 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@H](C)NC(N)=O)C(=O)N(C)C ZINC001497572062 893625155 /nfs/dbraw/zinc/62/51/55/893625155.db2.gz JJQQBZBSNUYATR-QEJZFVATSA-N 0 3 299.375 -1.218 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001497662781 893626441 /nfs/dbraw/zinc/62/64/41/893626441.db2.gz YJHOVWPCTFHALA-SGJFDWMWSA-N 0 3 279.300 -1.481 20 0 CAADHN NC(=O)C(=O)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001497666614 893626701 /nfs/dbraw/zinc/62/67/01/893626701.db2.gz BDBYYCXOCDUTDI-SLYZXXNYSA-N 0 3 254.290 -1.988 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CCCNC1=O ZINC001497599167 893626777 /nfs/dbraw/zinc/62/67/77/893626777.db2.gz AOSFWQIRWBNAGZ-MJKAUQOVSA-N 0 3 296.371 -1.091 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001497602886 893627104 /nfs/dbraw/zinc/62/71/04/893627104.db2.gz ZUYJOXSWWAXIGF-TYRPZCRBSA-N 0 3 293.327 -1.470 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)C(C)(C)C(N)=O)C(N)=O ZINC001497602386 893628107 /nfs/dbraw/zinc/62/81/07/893628107.db2.gz PMCPJRABKIFYEA-LGYSABEFSA-N 0 3 270.333 -1.366 20 0 CAADHN Cc1cncn1CC(=O)NC/C=C/CNCC(N)=O ZINC001497633273 893628119 /nfs/dbraw/zinc/62/81/19/893628119.db2.gz PPUMMMSLEMBIFE-NSCUHMNNSA-N 0 3 265.317 -1.061 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001497662780 893628145 /nfs/dbraw/zinc/62/81/45/893628145.db2.gz YJHOVWPCTFHALA-KZUAUGPASA-N 0 3 279.300 -1.481 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CCCNC1=O ZINC001497599164 893628173 /nfs/dbraw/zinc/62/81/73/893628173.db2.gz AOSFWQIRWBNAGZ-CBZSPVTBSA-N 0 3 296.371 -1.091 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001497602888 893628203 /nfs/dbraw/zinc/62/82/03/893628203.db2.gz ZUYJOXSWWAXIGF-ZBJFTSOASA-N 0 3 293.327 -1.470 20 0 CAADHN NC(=O)C(=O)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001497666608 893628209 /nfs/dbraw/zinc/62/82/09/893628209.db2.gz BDBYYCXOCDUTDI-FHKCNRDCSA-N 0 3 254.290 -1.988 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)CN1CCCNC1=O)C(N)=O ZINC001497622890 893628232 /nfs/dbraw/zinc/62/82/32/893628232.db2.gz HOKBRKPNYSOEGJ-MXQLGCADSA-N 0 3 297.359 -1.463 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)C(C)(C)C(N)=O)C(N)=O ZINC001497602389 893628608 /nfs/dbraw/zinc/62/86/08/893628608.db2.gz PMCPJRABKIFYEA-ZJELKQJVSA-N 0 3 270.333 -1.366 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC1CC1 ZINC001497783419 893629600 /nfs/dbraw/zinc/62/96/00/893629600.db2.gz ZTDQIZSONRTFDP-BDAKNGLRSA-N 0 3 284.360 -1.116 20 0 CAADHN CC[C@H](NC/C=C\CNC(=O)c1cnn(C)n1)C(N)=O ZINC001497702937 893630238 /nfs/dbraw/zinc/63/02/38/893630238.db2.gz XYBQWWUXZUZLTD-WBSSQXGSSA-N 0 3 280.332 -1.045 20 0 CAADHN CC[C@H](NC/C=C/CNC(=O)c1cnn(C)n1)C(N)=O ZINC001497702935 893630405 /nfs/dbraw/zinc/63/04/05/893630405.db2.gz XYBQWWUXZUZLTD-MOVJSRMASA-N 0 3 280.332 -1.045 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C/CNC(=O)C(=O)NCC1CC1 ZINC001497706533 893630849 /nfs/dbraw/zinc/63/08/49/893630849.db2.gz BRDRYDYYHQEQRM-HMDXOVGESA-N 0 3 296.371 -1.091 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CCC(=O)N1 ZINC001497726745 893631345 /nfs/dbraw/zinc/63/13/45/893631345.db2.gz UXENVSGKNCSIIP-OHINUGQQSA-N 0 3 282.344 -1.339 20 0 CAADHN CC[C@@H](NC/C=C/CNC(=O)c1cnn(C)n1)C(N)=O ZINC001497702938 893631403 /nfs/dbraw/zinc/63/14/03/893631403.db2.gz XYBQWWUXZUZLTD-XNPJLODASA-N 0 3 280.332 -1.045 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)c1cnon1)C(N)=O ZINC001497706957 893631775 /nfs/dbraw/zinc/63/17/75/893631775.db2.gz QALANBKLDALMKJ-SKRYNEFJSA-N 0 3 253.262 -1.181 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)c1cnon1)C(N)=O ZINC001497706959 893632063 /nfs/dbraw/zinc/63/20/63/893632063.db2.gz QALANBKLDALMKJ-XDVGHUOJSA-N 0 3 253.262 -1.181 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CNCC(=O)NCC1CC1 ZINC001497776762 893632141 /nfs/dbraw/zinc/63/21/41/893632141.db2.gz XGJSUNQSBVXHQR-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1nnc[n-]1 ZINC001497802237 893633578 /nfs/dbraw/zinc/63/35/78/893633578.db2.gz RRBKSNWLBJZBLW-BDAKNGLRSA-N 0 3 282.348 -1.034 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C1=CCOCC1 ZINC001497805083 893633640 /nfs/dbraw/zinc/63/36/40/893633640.db2.gz BRFXIENBWWAPCH-SECBINFHSA-N 0 3 298.343 -1.117 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CN[C@H]2CCNC2=O)C1 ZINC001497809670 893633710 /nfs/dbraw/zinc/63/37/10/893633710.db2.gz VGNFFSSVOCJAHN-KCJUWKMLSA-N 0 3 282.344 -1.553 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1ncc[nH]1 ZINC001497814206 893634012 /nfs/dbraw/zinc/63/40/12/893634012.db2.gz MIUQGTQWGOQFDV-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](CNCCN(C)S(C)(=O)=O)NC(=O)CC(N)=O ZINC001497799666 893634428 /nfs/dbraw/zinc/63/44/28/893634428.db2.gz KPZGLAGBBZRAKW-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)Cn1cnnn1 ZINC001497785499 893634455 /nfs/dbraw/zinc/63/44/55/893634455.db2.gz VFTYMAUUOIZNMM-RKDXNWHRSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1ccnn1C ZINC001497795097 893634917 /nfs/dbraw/zinc/63/49/17/893634917.db2.gz XAGSJMRCPXHQIC-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN CO[C@@H](C)CC(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001497794658 893635410 /nfs/dbraw/zinc/63/54/10/893635410.db2.gz OPSFUFVANOIKOG-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001497804328 893635456 /nfs/dbraw/zinc/63/54/56/893635456.db2.gz JGTYIXIUNYPIOX-HTQZYQBOSA-N 0 3 299.331 -2.185 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001497792793 893635874 /nfs/dbraw/zinc/63/58/74/893635874.db2.gz LQTYFHMOAKVDKL-SSDOTTSWSA-N 0 3 256.306 -1.908 20 0 CAADHN CCCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001497784793 893635883 /nfs/dbraw/zinc/63/58/83/893635883.db2.gz JREAMUVCQCTGRO-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ccon1 ZINC001497793805 893635924 /nfs/dbraw/zinc/63/59/24/893635924.db2.gz VNZCGGABVBOXNP-RQJHMYQMSA-N 0 3 283.288 -1.034 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCCNC1=O ZINC001497797299 893635936 /nfs/dbraw/zinc/63/59/36/893635936.db2.gz ASCANUYSXNTKCV-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CO[C@H](C)CC(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001497794657 893635960 /nfs/dbraw/zinc/63/59/60/893635960.db2.gz OPSFUFVANOIKOG-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)COC(C)C ZINC001497794956 893636089 /nfs/dbraw/zinc/63/60/89/893636089.db2.gz OHIFBNOVJRRREU-SECBINFHSA-N 0 3 288.348 -1.039 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001497786805 893636111 /nfs/dbraw/zinc/63/61/11/893636111.db2.gz PHJMKVPBADOWLB-SFYZADRCSA-N 0 3 298.347 -1.773 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cnn(C)c1 ZINC001497787902 893636230 /nfs/dbraw/zinc/63/62/30/893636230.db2.gz HCOFATXMMMFJKX-SCZZXKLOSA-N 0 3 293.327 -1.067 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001497842929 893637344 /nfs/dbraw/zinc/63/73/44/893637344.db2.gz XSFFWMLNBBHBFL-RKDXNWHRSA-N 0 3 296.331 -2.435 20 0 CAADHN C[C@H](CNCc1cnn(C)c1)NC(=O)Cn1ncnn1 ZINC001497817191 893637478 /nfs/dbraw/zinc/63/74/78/893637478.db2.gz NYMLXHYFGPYXNH-SECBINFHSA-N 0 3 278.320 -1.299 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCNC1=O ZINC001497834147 893637646 /nfs/dbraw/zinc/63/76/46/893637646.db2.gz ZBKOIMCICZKKTQ-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)Cn1ncnn1 ZINC001497816890 893637674 /nfs/dbraw/zinc/63/76/74/893637674.db2.gz GWJCTHQYUFYMEA-MRVPVSSYSA-N 0 3 269.309 -2.144 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CN(C)S(C)(=O)=O ZINC001497822075 893637971 /nfs/dbraw/zinc/63/79/71/893637971.db2.gz CINFQUJSMZPHRC-HTQZYQBOSA-N 0 3 294.377 -2.154 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001497827219 893638065 /nfs/dbraw/zinc/63/80/65/893638065.db2.gz IHVULJSSOIDYOW-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)CNC(=O)NC ZINC001497825440 893638493 /nfs/dbraw/zinc/63/84/93/893638493.db2.gz PAQJAFUSCPVPQK-SECBINFHSA-N 0 3 287.364 -1.464 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCN(C)C1=O ZINC001497882921 893638821 /nfs/dbraw/zinc/63/88/21/893638821.db2.gz ANWVUSJQOFVHOE-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CCN(C)C1=O ZINC001497882922 893638910 /nfs/dbraw/zinc/63/89/10/893638910.db2.gz ANWVUSJQOFVHOE-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ncc(OC)cn1 ZINC001497854769 893639005 /nfs/dbraw/zinc/63/90/05/893639005.db2.gz RXRNHWNVRMSWAG-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001497822483 893639071 /nfs/dbraw/zinc/63/90/71/893639071.db2.gz JSTOKCAXJWJHKS-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN C[C@H](CNCCS(C)(=O)=O)NC(=O)[C@@H]1CCNC1=O ZINC001497876988 893639214 /nfs/dbraw/zinc/63/92/14/893639214.db2.gz LFLYEQOLNKKZPL-RKDXNWHRSA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H](C)CC(N)=O ZINC001497877537 893639341 /nfs/dbraw/zinc/63/93/41/893639341.db2.gz MHSKNSAKCBHGED-RKDXNWHRSA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001497843348 893639360 /nfs/dbraw/zinc/63/93/60/893639360.db2.gz NJLLUXDLPACKHR-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001497841116 893639425 /nfs/dbraw/zinc/63/94/25/893639425.db2.gz SRPVQOMFQWNPDQ-HTQZYQBOSA-N 0 3 296.331 -1.874 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1csnn1 ZINC001497866062 893639564 /nfs/dbraw/zinc/63/95/64/893639564.db2.gz ZTZDVSFWGQXTSD-ZCFIWIBFSA-N 0 3 297.344 -1.132 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H](C)CNCCF ZINC001497822478 893639709 /nfs/dbraw/zinc/63/97/09/893639709.db2.gz JLNWGGUVSSLWJK-MRVPVSSYSA-N 0 3 269.342 -1.011 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001497883104 893639725 /nfs/dbraw/zinc/63/97/25/893639725.db2.gz DNHQONPYCWNHTQ-VWYCJHECSA-N 0 3 296.371 -1.068 20 0 CAADHN CO[C@@H](C(=O)N[C@H](C)CNCC(N)=O)c1cnn(C)c1 ZINC001497865458 893639739 /nfs/dbraw/zinc/63/97/39/893639739.db2.gz RHWGIZDCAATMBQ-LDYMZIIASA-N 0 3 283.332 -1.313 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001497844519 893639794 /nfs/dbraw/zinc/63/97/94/893639794.db2.gz DHPDMONJHKSGMD-HTQZYQBOSA-N 0 3 297.315 -2.083 20 0 CAADHN C[C@H](CN[C@H]1CCN(C(C)(C)C)C1=O)NC(=O)C(N)=O ZINC001497896163 893640755 /nfs/dbraw/zinc/64/07/55/893640755.db2.gz SXOCWIROISPCCS-BDAKNGLRSA-N 0 3 284.360 -1.035 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](C)CN[C@@H]2CCCNC2=O)CC1 ZINC001497940776 893640771 /nfs/dbraw/zinc/64/07/71/893640771.db2.gz XEUHSDYJQSCKOY-NXEZZACHSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1nc2ncccn2n1 ZINC001497944128 893641120 /nfs/dbraw/zinc/64/11/20/893641120.db2.gz CCXXAECLXVGQST-HTQZYQBOSA-N 0 3 291.315 -1.294 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CCn1cnnn1 ZINC001497949970 893641169 /nfs/dbraw/zinc/64/11/69/893641169.db2.gz XQKKOOYXSISTRQ-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001497885363 893641212 /nfs/dbraw/zinc/64/12/12/893641212.db2.gz QBXRTQDQAUISBU-GMTAPVOTSA-N 0 3 296.371 -1.020 20 0 CAADHN COC[C@H](C)CC(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001497954284 893641762 /nfs/dbraw/zinc/64/17/62/893641762.db2.gz SWMOUCVZLQSXIA-RKDXNWHRSA-N 0 3 288.348 -1.052 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001497913640 893641969 /nfs/dbraw/zinc/64/19/69/893641969.db2.gz WZGLPHAZQNEAIG-QNSHHTMESA-N 0 3 282.344 -1.519 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)C(N)=O ZINC001497896336 893642165 /nfs/dbraw/zinc/64/21/65/893642165.db2.gz XHDLITLBUHZSBU-RQJHMYQMSA-N 0 3 256.306 -1.767 20 0 CAADHN C[C@H](CNCCF)NC(=O)Cn1ncn2nccc2c1=O ZINC001497928445 893642190 /nfs/dbraw/zinc/64/21/90/893642190.db2.gz IWLZUGNKVFRTEG-SECBINFHSA-N 0 3 296.306 -1.045 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001497911756 893642650 /nfs/dbraw/zinc/64/26/50/893642650.db2.gz AUWONYHHZLDFTC-SSDOTTSWSA-N 0 3 281.316 -1.433 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cc2ncccn2n1 ZINC001497945846 893642766 /nfs/dbraw/zinc/64/27/66/893642766.db2.gz UZOZIMJYHCUTLN-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@H](CN[C@H]1CCN(C2CCC2)C1=O)NC(=O)C(N)=O ZINC001497895795 893642865 /nfs/dbraw/zinc/64/28/65/893642865.db2.gz DVRRWYDJKZEAGA-SCZZXKLOSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCn1cnnn1 ZINC001497947739 893642889 /nfs/dbraw/zinc/64/28/89/893642889.db2.gz DLAUUMURVOFMKD-RKDXNWHRSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)Cn1cncn1 ZINC001497977082 893644625 /nfs/dbraw/zinc/64/46/25/893644625.db2.gz IAFGLHZQPNYMDD-ZJUUUORDSA-N 0 3 282.348 -1.151 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CS(=O)(=O)NC)C(N)=O ZINC001497985570 893644636 /nfs/dbraw/zinc/64/46/36/893644636.db2.gz ALQBHZABSBKORG-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001497993604 893644659 /nfs/dbraw/zinc/64/46/59/893644659.db2.gz VZQNKEDJBXNXQU-PSASIEDQSA-N 0 3 270.333 -1.423 20 0 CAADHN COCC(=O)N[C@@H](C)CNCCNS(C)(=O)=O ZINC001497999707 893645230 /nfs/dbraw/zinc/64/52/30/893645230.db2.gz NRNDLWQRKHPLNS-QMMMGPOBSA-N 0 3 267.351 -1.724 20 0 CAADHN CCN(C)C(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001497962893 893644979 /nfs/dbraw/zinc/64/49/79/893644979.db2.gz ZXDMXCXNNMOGHM-SECBINFHSA-N 0 3 282.348 -1.080 20 0 CAADHN Cc1nccn1CC(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001497986001 893645261 /nfs/dbraw/zinc/64/52/61/893645261.db2.gz BSPDQLIRLMNJHQ-MRVPVSSYSA-N 0 3 296.331 -1.519 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)Cn1cncn1 ZINC001497977081 893645596 /nfs/dbraw/zinc/64/55/96/893645596.db2.gz IAFGLHZQPNYMDD-NXEZZACHSA-N 0 3 282.348 -1.151 20 0 CAADHN C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)Cc1nnc[n-]1 ZINC001497959681 893645828 /nfs/dbraw/zinc/64/58/28/893645828.db2.gz CXSPUCLLBCEKLV-SECBINFHSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001498016222 893645861 /nfs/dbraw/zinc/64/58/61/893645861.db2.gz LQTYFHMOAKVDKL-ZETCQYMHSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1ccn[nH]1 ZINC001498016316 893646181 /nfs/dbraw/zinc/64/61/81/893646181.db2.gz VZEVVTQAAWOPEL-JGVFFNPUSA-N 0 3 279.300 -1.077 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCN1CCCC1=O ZINC001497987139 893646261 /nfs/dbraw/zinc/64/62/61/893646261.db2.gz ZVBMPTRXKJPPRN-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCc1cn(C)nn1 ZINC001497999703 893646321 /nfs/dbraw/zinc/64/63/21/893646321.db2.gz KWSBJVRXIRIDBK-MWLCHTKSSA-N 0 3 294.359 -1.270 20 0 CAADHN CCOCC(=O)N[C@@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001498008710 893646462 /nfs/dbraw/zinc/64/64/62/893646462.db2.gz FJOLTZFXNVYOKV-DTWKUNHWSA-N 0 3 271.317 -1.078 20 0 CAADHN CO[C@H](C)C(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001498020200 893646556 /nfs/dbraw/zinc/64/65/56/893646556.db2.gz QWSWATQJNULBGE-XLPZGREQSA-N 0 3 274.321 -1.301 20 0 CAADHN CCNC(=O)CCC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001498021567 893646580 /nfs/dbraw/zinc/64/65/80/893646580.db2.gz MPWOPIJCYFKIGW-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H](C)n1cccn1 ZINC001498015500 893646856 /nfs/dbraw/zinc/64/68/56/893646856.db2.gz JKNRVSPJKVMZDO-IUCAKERBSA-N 0 3 296.331 -1.267 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCNS(C)(=O)=O)C(N)=O ZINC001498049071 893648242 /nfs/dbraw/zinc/64/82/42/893648242.db2.gz WAKOKMVPGXRHEQ-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CCNS(C)(=O)=O ZINC001498049072 893648440 /nfs/dbraw/zinc/64/84/40/893648440.db2.gz WAKOKMVPGXRHEQ-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cn1ncnn1)C(=O)N(C)C ZINC001498043161 893648883 /nfs/dbraw/zinc/64/88/83/893648883.db2.gz DVQGCRSZTIGDRQ-DTWKUNHWSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CN1CCOCC1 ZINC001498033510 893649016 /nfs/dbraw/zinc/64/90/16/893649016.db2.gz QCTZKAFAQIJCDH-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001498036146 893649103 /nfs/dbraw/zinc/64/91/03/893649103.db2.gz SFNCXRCLJQLUDE-IUCAKERBSA-N 0 3 284.360 -1.307 20 0 CAADHN CCCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CC(N)=O ZINC001498026738 893649303 /nfs/dbraw/zinc/64/93/03/893649303.db2.gz QXDCKLJLKISSSU-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001498040638 893649336 /nfs/dbraw/zinc/64/93/36/893649336.db2.gz UBQMQEDZUJXINF-VIFPVBQESA-N 0 3 267.333 -1.197 20 0 CAADHN Cc1nn(C)cc1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001498023485 893649372 /nfs/dbraw/zinc/64/93/72/893649372.db2.gz LYPSPWPLRVVEQB-ZETCQYMHSA-N 0 3 296.331 -1.369 20 0 CAADHN CNC(=O)CCCC(=O)N[C@@H](C)CNCC(=O)NC ZINC001498034413 893649385 /nfs/dbraw/zinc/64/93/85/893649385.db2.gz XHYSCZKZFJXCRB-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001498036145 893649395 /nfs/dbraw/zinc/64/93/95/893649395.db2.gz SFNCXRCLJQLUDE-DTWKUNHWSA-N 0 3 284.360 -1.307 20 0 CAADHN CCn1nccc1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001498034265 893649414 /nfs/dbraw/zinc/64/94/14/893649414.db2.gz AIYPIENNNWRTAS-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001498034611 893649422 /nfs/dbraw/zinc/64/94/22/893649422.db2.gz HUBWNQAPMDUPAF-IUCAKERBSA-N 0 3 287.364 -1.338 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC ZINC001498023975 893649568 /nfs/dbraw/zinc/64/95/68/893649568.db2.gz WOVZEZBSJRXDLO-DTWKUNHWSA-N 0 3 272.349 -1.259 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001498034948 893649575 /nfs/dbraw/zinc/64/95/75/893649575.db2.gz RRJVKZCJFVHCDR-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1ncnn1 ZINC001498043281 893649692 /nfs/dbraw/zinc/64/96/92/893649692.db2.gz HXTHWSNOTVVUAM-BQBZGAKWSA-N 0 3 255.282 -2.359 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001498039329 893649711 /nfs/dbraw/zinc/64/97/11/893649711.db2.gz VNZVBZJREIUBPZ-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CO[C@@H]1CCOC1 ZINC001498042680 893649751 /nfs/dbraw/zinc/64/97/51/893649751.db2.gz UPSPJIQMEYIOGX-DTWKUNHWSA-N 0 3 259.306 -1.629 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1COC(=O)N1 ZINC001498037787 893649764 /nfs/dbraw/zinc/64/97/64/893649764.db2.gz BYBOOGIVEOPGBK-CBAPKCEASA-N 0 3 284.316 -1.532 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)CC(C)(C)O ZINC001498038103 893649841 /nfs/dbraw/zinc/64/98/41/893649841.db2.gz NYZBNPSZSGZJFM-QMMMGPOBSA-N 0 3 285.348 -1.136 20 0 CAADHN CC(C)[C@@H](O)C(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001498038212 893649867 /nfs/dbraw/zinc/64/98/67/893649867.db2.gz LFKLOEBUGJEDAQ-WCBMZHEXSA-N 0 3 285.348 -1.280 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001498055940 893651438 /nfs/dbraw/zinc/65/14/38/893651438.db2.gz ZCYWBKKEUDUYDO-BQBZGAKWSA-N 0 3 285.304 -2.575 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCCCNC(N)=O ZINC001498068932 893651056 /nfs/dbraw/zinc/65/10/56/893651056.db2.gz XMFNMUFFZDJXHP-VHSXEESVSA-N 0 3 299.375 -1.192 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001498074406 893651274 /nfs/dbraw/zinc/65/12/74/893651274.db2.gz IKVWDPYGVRKRPN-FNBULKLFSA-N 0 3 267.329 -1.011 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCc2nncn2CC1 ZINC001498073548 893651376 /nfs/dbraw/zinc/65/13/76/893651376.db2.gz MTPVHUFBHYJKAE-VHSXEESVSA-N 0 3 294.359 -1.190 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001498054105 893651692 /nfs/dbraw/zinc/65/16/92/893651692.db2.gz AIZXLIJZTAAEEO-ZETCQYMHSA-N 0 3 258.322 -1.662 20 0 CAADHN Cc1cncn1CC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001498073138 893651805 /nfs/dbraw/zinc/65/18/05/893651805.db2.gz YZESVMTYNBBREW-QMMMGPOBSA-N 0 3 296.331 -1.519 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cn(C)ccc1=O ZINC001498071745 893651922 /nfs/dbraw/zinc/65/19/22/893651922.db2.gz WYJGQARVWWDUOP-ONGXEEELSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cc(CN(C)C)on1 ZINC001498064303 893652005 /nfs/dbraw/zinc/65/20/05/893652005.db2.gz NWLPOOKISUINAZ-QMMMGPOBSA-N 0 3 283.332 -1.071 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CN1CCCS1(=O)=O ZINC001498051755 893652072 /nfs/dbraw/zinc/65/20/72/893652072.db2.gz WMIQTWLZXLUAQN-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)C(C)(C)C(N)=O ZINC001498054287 893652097 /nfs/dbraw/zinc/65/20/97/893652097.db2.gz IGZDXBDOXVZHBD-ZETCQYMHSA-N 0 3 298.347 -1.786 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CCN(C)C1=O ZINC001498057414 893652227 /nfs/dbraw/zinc/65/22/27/893652227.db2.gz RETFFAMTSJHVEQ-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1[nH]c(=O)[nH]c1C ZINC001498055797 893652280 /nfs/dbraw/zinc/65/22/80/893652280.db2.gz HEUNOQCPAWQGQS-LURJTMIESA-N 0 3 269.305 -1.122 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCNC1=O ZINC001498087052 893652370 /nfs/dbraw/zinc/65/23/70/893652370.db2.gz KPYNSLGOTJBHNK-IUCAKERBSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cnc2nccn2c1 ZINC001498074120 893652454 /nfs/dbraw/zinc/65/24/54/893652454.db2.gz IIXULLQFVWUJKU-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001498064291 893652463 /nfs/dbraw/zinc/65/24/63/893652463.db2.gz NJLLUXDLPACKHR-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cn(C)ccc1=O ZINC001498071744 893652537 /nfs/dbraw/zinc/65/25/37/893652537.db2.gz WYJGQARVWWDUOP-GXSJLCMTSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cccc(C(N)=O)c1 ZINC001498059611 893652566 /nfs/dbraw/zinc/65/25/66/893652566.db2.gz FZVPDMMCOBNASG-QMMMGPOBSA-N 0 3 278.312 -1.021 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cnc2n1CCOC2 ZINC001498054177 893652647 /nfs/dbraw/zinc/65/26/47/893652647.db2.gz CTGNCQXPBCUIRR-VIFPVBQESA-N 0 3 295.343 -1.133 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCc1nccn1C ZINC001498076519 893652692 /nfs/dbraw/zinc/65/26/92/893652692.db2.gz MZIWYIVVQFCQAI-VIFPVBQESA-N 0 3 267.333 -1.068 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001498100504 893653934 /nfs/dbraw/zinc/65/39/34/893653934.db2.gz SQNPMYVVYLJCDO-DTWKUNHWSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001498089781 893654094 /nfs/dbraw/zinc/65/40/94/893654094.db2.gz VJUBMDIGNWXPKI-VIFPVBQESA-N 0 3 297.363 -1.215 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)c1nnn(C)n1 ZINC001498089307 893654356 /nfs/dbraw/zinc/65/43/56/893654356.db2.gz LTZKWUSJBDKARC-QMMMGPOBSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CNC(=O)N1 ZINC001498100221 893654755 /nfs/dbraw/zinc/65/47/55/893654755.db2.gz UTOOIZLJEVVNJU-WCBMZHEXSA-N 0 3 280.332 -1.304 20 0 CAADHN Cc1ncc(C(=O)N[C@@H](C)CNCC(N)=O)n1C ZINC001498098631 893655000 /nfs/dbraw/zinc/65/50/00/893655000.db2.gz KDVVIHDDULWSFX-ZETCQYMHSA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001498090350 893655033 /nfs/dbraw/zinc/65/50/33/893655033.db2.gz FNWUGXMQKVUHSC-QUARPLMYSA-N 0 3 267.329 -1.138 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001498089066 893655141 /nfs/dbraw/zinc/65/51/41/893655141.db2.gz HRUAEOYTMLLKGI-YUMQZZPRSA-N 0 3 256.306 -1.813 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001498090349 893655247 /nfs/dbraw/zinc/65/52/47/893655247.db2.gz FNWUGXMQKVUHSC-FBDQPXRJSA-N 0 3 267.329 -1.138 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001498118274 893657322 /nfs/dbraw/zinc/65/73/22/893657322.db2.gz QJWREJOHTLJPER-CBAPKCEASA-N 0 3 293.327 -1.290 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001498126794 893657748 /nfs/dbraw/zinc/65/77/48/893657748.db2.gz BTJCGOOEXSPPIO-BQBZGAKWSA-N 0 3 285.304 -2.575 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001498117960 893658305 /nfs/dbraw/zinc/65/83/05/893658305.db2.gz MNYRENWKFCCTAN-YIZRAAEISA-N 0 3 270.333 -1.532 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C(C)(C)CNC(C)=O ZINC001498134462 893658353 /nfs/dbraw/zinc/65/83/53/893658353.db2.gz RXQTXOHWZWIGOM-VIFPVBQESA-N 0 3 286.376 -1.011 20 0 CAADHN CCN1CC[C@H](NC[C@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001498167234 893659642 /nfs/dbraw/zinc/65/96/42/893659642.db2.gz PRRWJZDVTPVLKY-DCAQKATOSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cnon1 ZINC001498143013 893659667 /nfs/dbraw/zinc/65/96/67/893659667.db2.gz SWOGEESEORXXAN-NKWVEPMBSA-N 0 3 253.262 -1.334 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCn1cnnn1 ZINC001498145610 893659909 /nfs/dbraw/zinc/65/99/09/893659909.db2.gz DLAUUMURVOFMKD-DTWKUNHWSA-N 0 3 281.320 -1.954 20 0 CAADHN CCn1cc(C(=O)N[C@@H](C)CN[C@H](C)C(N)=O)nn1 ZINC001498150352 893660498 /nfs/dbraw/zinc/66/04/98/893660498.db2.gz AGBTWKUTEKEIEY-JGVFFNPUSA-N 0 3 268.321 -1.120 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001498167139 893660740 /nfs/dbraw/zinc/66/07/40/893660740.db2.gz OGXKHNHKGSPJTE-CIUDSAMLSA-N 0 3 270.333 -1.377 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)c1cnn(C)n1 ZINC001498140324 893660823 /nfs/dbraw/zinc/66/08/23/893660823.db2.gz JPAWEMATGJVSIN-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnn(C)n1 ZINC001498139851 893660887 /nfs/dbraw/zinc/66/08/87/893660887.db2.gz BJEQIUWNTYADHY-ZETCQYMHSA-N 0 3 294.319 -1.855 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001498159262 893661035 /nfs/dbraw/zinc/66/10/35/893661035.db2.gz UFTXTRNRNPVCPM-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](C)CNCC(N)=O)CCC1 ZINC001498168722 893661213 /nfs/dbraw/zinc/66/12/13/893661213.db2.gz WSSRPMHDXBNLDU-QMMMGPOBSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001498139900 893661395 /nfs/dbraw/zinc/66/13/95/893661395.db2.gz DSEVAJSANHNTAJ-DTWKUNHWSA-N 0 3 284.360 -1.259 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001498166041 893661545 /nfs/dbraw/zinc/66/15/45/893661545.db2.gz AMARIXZTCMYDDB-ONGXEEELSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001498199838 893662719 /nfs/dbraw/zinc/66/27/19/893662719.db2.gz VZQNKEDJBXNXQU-WCBMZHEXSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCN1CCCC1=O ZINC001498189200 893663004 /nfs/dbraw/zinc/66/30/04/893663004.db2.gz BGFWUUBXRBYVGW-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CS(=O)(=O)CC)C(N)=O ZINC001498197212 893663032 /nfs/dbraw/zinc/66/30/32/893663032.db2.gz GVJCKFIAUXDXQV-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001498189465 893663128 /nfs/dbraw/zinc/66/31/28/893663128.db2.gz GMWASCNQVBIWRG-YUMQZZPRSA-N 0 3 292.361 -2.482 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001498195878 893663281 /nfs/dbraw/zinc/66/32/81/893663281.db2.gz XKJJJSLUAVCVDN-UHFFFAOYSA-N 0 3 285.348 -1.677 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001498199879 893663560 /nfs/dbraw/zinc/66/35/60/893663560.db2.gz XMHGYKPMJNFHTH-IQJOONFLSA-N 0 3 284.360 -1.035 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001498192539 893663581 /nfs/dbraw/zinc/66/35/81/893663581.db2.gz PHFDHCBCVJGEGB-DTWKUNHWSA-N 0 3 293.389 -1.222 20 0 CAADHN Cc1nonc1C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001498206579 893664481 /nfs/dbraw/zinc/66/44/81/893664481.db2.gz GLZCPLYYFDQLFF-FSPLSTOPSA-N 0 3 255.278 -1.040 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H](C)CN(C)CCO ZINC001498283755 893667287 /nfs/dbraw/zinc/66/72/87/893667287.db2.gz YBJNGGDZOWNXLJ-VIFPVBQESA-N 0 3 281.378 -1.646 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001498287798 893667516 /nfs/dbraw/zinc/66/75/16/893667516.db2.gz JDWZGXSMNPULAZ-QMMMGPOBSA-N 0 3 284.320 -2.194 20 0 CAADHN C[C@H](CC(=O)N[C@H](C)CN(C)CCO)NC(N)=O ZINC001498281953 893667568 /nfs/dbraw/zinc/66/75/68/893667568.db2.gz RQBBTRJUYNWZKE-RKDXNWHRSA-N 0 3 260.338 -1.138 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)C[C@H](C)NC(N)=O ZINC001498281947 893668171 /nfs/dbraw/zinc/66/81/71/893668171.db2.gz RQBBTRJUYNWZKE-DTWKUNHWSA-N 0 3 260.338 -1.138 20 0 CAADHN C[C@H](CN(C)CCOCCO)NC(=O)c1nnn(C)n1 ZINC001498358668 893672004 /nfs/dbraw/zinc/67/20/04/893672004.db2.gz CSADLASLZJHVDT-SECBINFHSA-N 0 3 286.336 -1.731 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CN(C)S(C)(=O)=O ZINC001498302095 893672527 /nfs/dbraw/zinc/67/25/27/893672527.db2.gz YEOZIIQBIXMXRH-VIFPVBQESA-N 0 3 281.378 -1.693 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001498393309 893675196 /nfs/dbraw/zinc/67/51/96/893675196.db2.gz SXNGGFMNQRFTFA-YUMQZZPRSA-N 0 3 272.305 -1.987 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001498419834 893677868 /nfs/dbraw/zinc/67/78/68/893677868.db2.gz OTGYPKUJDMMKIK-MNOVXSKESA-N 0 3 296.371 -1.225 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001498460354 893678249 /nfs/dbraw/zinc/67/82/49/893678249.db2.gz ZECSBCGGGYVJCR-VHSXEESVSA-N 0 3 293.389 -1.239 20 0 CAADHN CN(CCCNCC(=O)Nc1ccon1)C(=O)CC(N)=O ZINC001498528268 893682209 /nfs/dbraw/zinc/68/22/09/893682209.db2.gz BXXKEYVWYBRBGO-UHFFFAOYSA-N 0 3 297.315 -1.073 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](NC(=O)CC(N)=O)C1CC1 ZINC001498739799 893689076 /nfs/dbraw/zinc/68/90/76/893689076.db2.gz QXUJXQUTICYHPE-CBAPKCEASA-N 0 3 270.333 -1.519 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001498749456 893689171 /nfs/dbraw/zinc/68/91/71/893689171.db2.gz CZBZEOCCUZQDKL-QWRGUYRKSA-N 0 3 296.371 -1.115 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](NC(=O)C(F)F)C1CC1 ZINC001498716523 893689311 /nfs/dbraw/zinc/68/93/11/893689311.db2.gz JPVONSYKKQUXPJ-LURJTMIESA-N 0 3 278.259 -1.069 20 0 CAADHN CCNC(=O)CC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001498749457 893689827 /nfs/dbraw/zinc/68/98/27/893689827.db2.gz CZBZEOCCUZQDKL-WDEREUQCSA-N 0 3 296.371 -1.115 20 0 CAADHN Cn1nncc1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001498748842 893690053 /nfs/dbraw/zinc/69/00/53/893690053.db2.gz HRXLDYLMHILWJM-QMMMGPOBSA-N 0 3 266.305 -1.602 20 0 CAADHN CCN1C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC1=O ZINC001498769766 893690408 /nfs/dbraw/zinc/69/04/08/893690408.db2.gz OAEDYBCWQPHXQG-QWRGUYRKSA-N 0 3 296.371 -1.176 20 0 CAADHN CCn1nncc1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001498763794 893690502 /nfs/dbraw/zinc/69/05/02/893690502.db2.gz WMCLIMVCXNJQAR-SECBINFHSA-N 0 3 280.332 -1.119 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001498783609 893690562 /nfs/dbraw/zinc/69/05/62/893690562.db2.gz MRWQEUUKBHEJOK-VHSXEESVSA-N 0 3 282.344 -1.518 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H](C)CC(N)=O)C1CC1 ZINC001498800593 893690748 /nfs/dbraw/zinc/69/07/48/893690748.db2.gz AEEVUXXVJHEAKQ-SCZZXKLOSA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C1CC1)S(C)(=O)=O ZINC001498781815 893690816 /nfs/dbraw/zinc/69/08/16/893690816.db2.gz QYJIFDQHZNHHOZ-CBAPKCEASA-N 0 3 291.373 -1.611 20 0 CAADHN CCNC(=O)CC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001498749452 893690866 /nfs/dbraw/zinc/69/08/66/893690866.db2.gz CZBZEOCCUZQDKL-GHMZBOCLSA-N 0 3 296.371 -1.115 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001498783607 893690941 /nfs/dbraw/zinc/69/09/41/893690941.db2.gz MRWQEUUKBHEJOK-NXEZZACHSA-N 0 3 282.344 -1.518 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001498818974 893693026 /nfs/dbraw/zinc/69/30/26/893693026.db2.gz REUPVMMFVKTHDQ-SNVBAGLBSA-N 0 3 284.360 -1.272 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001498821626 893693477 /nfs/dbraw/zinc/69/34/77/893693477.db2.gz GGXZEERGNLWJFV-OUAUKWLOSA-N 0 3 296.371 -1.272 20 0 CAADHN Cn1cccc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)c1=O ZINC001498861537 893693591 /nfs/dbraw/zinc/69/35/91/893693591.db2.gz VQSDNMDSNOIJJX-NSHDSACASA-N 0 3 292.339 -1.031 20 0 CAADHN Cn1nnnc1CNC[C@@H](NC(=O)c1ncn[nH]1)C1CC1 ZINC001498846299 893694082 /nfs/dbraw/zinc/69/40/82/893694082.db2.gz XZXBIPIJAVOUJI-MRVPVSSYSA-N 0 3 291.319 -1.374 20 0 CAADHN Cn1nnnc1CNC[C@@H](NC(=O)c1nc[nH]n1)C1CC1 ZINC001498846299 893694089 /nfs/dbraw/zinc/69/40/89/893694089.db2.gz XZXBIPIJAVOUJI-MRVPVSSYSA-N 0 3 291.319 -1.374 20 0 CAADHN COCCCN1CC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001499032265 893701575 /nfs/dbraw/zinc/70/15/75/893701575.db2.gz BTOHETHRAGOMMO-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN O=C(CCN1CCOCC1)NC[C@H]1CCN1CCO ZINC001499082167 893703984 /nfs/dbraw/zinc/70/39/84/893703984.db2.gz PJGXNWAMMMGMRP-GFCCVEGCSA-N 0 3 271.361 -1.109 20 0 CAADHN Cn1cc(C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)nn1 ZINC001499217138 893708848 /nfs/dbraw/zinc/70/88/48/893708848.db2.gz TXKWUPSHVBGVPU-SECBINFHSA-N 0 3 292.343 -1.054 20 0 CAADHN Cn1cc(C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)nn1 ZINC001499217141 893709491 /nfs/dbraw/zinc/70/94/91/893709491.db2.gz TXKWUPSHVBGVPU-VIFPVBQESA-N 0 3 292.343 -1.054 20 0 CAADHN Cn1nnc(C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)n1 ZINC001499319352 893713893 /nfs/dbraw/zinc/71/38/93/893713893.db2.gz YXRJAHGYPWRXIR-QMMMGPOBSA-N 0 3 293.331 -1.659 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1)C(N)=O ZINC001499335014 893718031 /nfs/dbraw/zinc/71/80/31/893718031.db2.gz MIHVSXUUMXDWMB-JGVFFNPUSA-N 0 3 283.332 -1.830 20 0 CAADHN O=C(NCC1(N[C@@H]2CCCNC2=O)CC1)[C@@H]1CNC(=O)N1 ZINC001499335145 893719164 /nfs/dbraw/zinc/71/91/64/893719164.db2.gz NEDXMOLHWYMWHL-BDAKNGLRSA-N 0 3 295.343 -1.815 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@@H]1CNCC(=O)NC ZINC001499889599 893724426 /nfs/dbraw/zinc/72/44/26/893724426.db2.gz ZZBJYXJJQAHJIV-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H](C)NC(N)=O ZINC001499888386 893724733 /nfs/dbraw/zinc/72/47/33/893724733.db2.gz JZCVSIJZSMFBLX-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001499905109 893724956 /nfs/dbraw/zinc/72/49/56/893724956.db2.gz VTODMIQGWRUPKQ-VHSXEESVSA-N 0 3 282.344 -1.279 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001499869282 893725048 /nfs/dbraw/zinc/72/50/48/893725048.db2.gz KUCWVYLYFPBFEW-WPRPVWTQSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CCn1ccnn1 ZINC001499889371 893725690 /nfs/dbraw/zinc/72/56/90/893725690.db2.gz WJAQURBPMHVPBP-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001499920510 893728106 /nfs/dbraw/zinc/72/81/06/893728106.db2.gz HIZPRJOYUBENOH-IUCAKERBSA-N 0 3 283.332 -2.006 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001499920509 893728200 /nfs/dbraw/zinc/72/82/00/893728200.db2.gz HIZPRJOYUBENOH-DTWKUNHWSA-N 0 3 283.332 -2.006 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001499915603 893729227 /nfs/dbraw/zinc/72/92/27/893729227.db2.gz GCBPMRIFUUTDHE-IUCAKERBSA-N 0 3 295.347 -1.461 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]1CNCC(=O)NC1CC1 ZINC001499923277 893729253 /nfs/dbraw/zinc/72/92/53/893729253.db2.gz WYFQFPBPEQFUFM-VIFPVBQESA-N 0 3 268.317 -1.669 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001499928312 893729384 /nfs/dbraw/zinc/72/93/84/893729384.db2.gz TWQYYNTUECMIAX-QWRGUYRKSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001499952874 893729581 /nfs/dbraw/zinc/72/95/81/893729581.db2.gz MEHAZSNHXQCVAS-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@H]2CNCC(N)=O)n1 ZINC001499935017 893729636 /nfs/dbraw/zinc/72/96/36/893729636.db2.gz RADFAVMQUOWSRS-QMMMGPOBSA-N 0 3 266.305 -1.505 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001499928313 893729699 /nfs/dbraw/zinc/72/96/99/893729699.db2.gz TWQYYNTUECMIAX-WDEREUQCSA-N 0 3 284.360 -1.033 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001500225212 893731863 /nfs/dbraw/zinc/73/18/63/893731863.db2.gz GATSVPIWISCJHH-ZDUSSCGKSA-N 0 3 287.360 -1.288 20 0 CAADHN C[C@]1(NC(=O)Cn2ncnn2)CCN(CCOCCO)C1 ZINC001500218732 893732699 /nfs/dbraw/zinc/73/26/99/893732699.db2.gz AAAFVYDIECJJTK-LBPRGKRZSA-N 0 3 298.347 -1.737 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)Cn1ncnn1)C1CCCC1 ZINC001500090232 893734284 /nfs/dbraw/zinc/73/42/84/893734284.db2.gz ZSWPAKRFBDZQIV-JTQLQIEISA-N 0 3 295.347 -1.577 20 0 CAADHN COCCN1CC[C@](C)(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001500227704 893734428 /nfs/dbraw/zinc/73/44/28/893734428.db2.gz MVJDHBPJMCNUBS-ZANVPECISA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)c2cn[n-]n2)C1 ZINC001500359955 893735837 /nfs/dbraw/zinc/73/58/37/893735837.db2.gz GSBDCOQAYKNLTO-NSHDSACASA-N 0 3 266.305 -1.268 20 0 CAADHN CC[C@@H](C(N)=O)N1CCC(C)(CNC(=O)C(N)=O)CC1 ZINC001500444687 893736715 /nfs/dbraw/zinc/73/67/15/893736715.db2.gz SCMBKIPAOWZWDQ-VIFPVBQESA-N 0 3 284.360 -1.046 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2ccn[nH]2)CCOCC1 ZINC001500561081 893737664 /nfs/dbraw/zinc/73/76/64/893737664.db2.gz UWVCEZDBKSOXGU-UHFFFAOYSA-N 0 3 281.316 -1.236 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2ccncn2)CCOCC1 ZINC001500592582 893739266 /nfs/dbraw/zinc/73/92/66/893739266.db2.gz LPFZGVINHRUKTE-UHFFFAOYSA-N 0 3 293.327 -1.170 20 0 CAADHN COCCOC[C@H](O)CN1CC[C@](O)(CNC(C)=O)C1 ZINC001500620800 893739903 /nfs/dbraw/zinc/73/99/03/893739903.db2.gz PJJVOWGHHZSOIN-OLZOCXBDSA-N 0 3 290.360 -1.417 20 0 CAADHN CCOCCN1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001500630890 893740064 /nfs/dbraw/zinc/74/00/64/893740064.db2.gz DLYXDMHVHFGXFZ-LBPRGKRZSA-N 0 3 298.347 -1.737 20 0 CAADHN COCCOC[C@@H](O)CN1CC[C@](O)(CNC(C)=O)C1 ZINC001500620804 893742413 /nfs/dbraw/zinc/74/24/13/893742413.db2.gz PJJVOWGHHZSOIN-STQMWFEESA-N 0 3 290.360 -1.417 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1csnn1 ZINC001500705590 893743915 /nfs/dbraw/zinc/74/39/15/893743915.db2.gz ZGCVPUYKKAMUFH-JTQLQIEISA-N 0 3 272.330 -1.303 20 0 CAADHN COc1nccc(C(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001500698558 893744606 /nfs/dbraw/zinc/74/46/06/893744606.db2.gz WJOXQGIEHJQDHT-CYBMUJFWSA-N 0 3 296.327 -1.356 20 0 CAADHN CN(CC(=O)NC[C@@]1(O)CCN(CCO)C1)C(=O)C1CC1 ZINC001500683694 893745199 /nfs/dbraw/zinc/74/51/99/893745199.db2.gz JVWHZCLDILCSJG-AWEZNQCLSA-N 0 3 299.371 -1.600 20 0 CAADHN CN(CC(=O)NC[C@]1(O)CCN(CCO)C1)C(=O)C1CC1 ZINC001500683695 893745495 /nfs/dbraw/zinc/74/54/95/893745495.db2.gz JVWHZCLDILCSJG-CQSZACIVSA-N 0 3 299.371 -1.600 20 0 CAADHN O=C(C[C@H]1COC(=O)C1)NC[C@@]1(O)CCN(CCO)C1 ZINC001500662268 893747366 /nfs/dbraw/zinc/74/73/66/893747366.db2.gz AAZDQJPSOULIOV-MFKMUULPSA-N 0 3 286.328 -1.515 20 0 CAADHN Cc1nn(C)cc1CC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001500686900 893747616 /nfs/dbraw/zinc/74/76/16/893747616.db2.gz NUAZDYQBTWQICN-AWEZNQCLSA-N 0 3 296.371 -1.184 20 0 CAADHN NC(=O)CC(=O)NC[C@@]1(O)CCN(CCn2cccn2)C1 ZINC001500652657 893747724 /nfs/dbraw/zinc/74/77/24/893747724.db2.gz BRQIZBHFKXDMRP-ZDUSSCGKSA-N 0 3 295.343 -1.689 20 0 CAADHN C[C@]1(C(=O)NC[C@]2(O)CCN(CCO)C2)CCNC(=O)C1 ZINC001500692805 893748065 /nfs/dbraw/zinc/74/80/65/893748065.db2.gz MIXJPCYRBRAXFI-UONOGXRCSA-N 0 3 299.371 -1.552 20 0 CAADHN C[C@@H](O)CN1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001500711358 893749578 /nfs/dbraw/zinc/74/95/78/893749578.db2.gz XACQHXRJSUHRRM-LDYMZIIASA-N 0 3 284.320 -2.243 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001500736007 893749610 /nfs/dbraw/zinc/74/96/10/893749610.db2.gz LPLNAKZOBDUTPL-LBPRGKRZSA-N 0 3 268.317 -1.123 20 0 CAADHN NC(=O)CCCCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001500750865 893752957 /nfs/dbraw/zinc/75/29/57/893752957.db2.gz LYTYOIAXHMBGQP-CYBMUJFWSA-N 0 3 287.360 -1.423 20 0 CAADHN NC(=O)C(=O)NC[C@@]1(O)CCN(CCOCC2CCC2)C1 ZINC001500718585 893753030 /nfs/dbraw/zinc/75/30/30/893753030.db2.gz WJMWFPNBUJFOGH-AWEZNQCLSA-N 0 3 299.371 -1.159 20 0 CAADHN C[C@H](O)CN1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001500711355 893753068 /nfs/dbraw/zinc/75/30/68/893753068.db2.gz XACQHXRJSUHRRM-GZMMTYOYSA-N 0 3 284.320 -2.243 20 0 CAADHN C[C@@H](O)CN1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001500711356 893754200 /nfs/dbraw/zinc/75/42/00/893754200.db2.gz XACQHXRJSUHRRM-KCJUWKMLSA-N 0 3 284.320 -2.243 20 0 CAADHN NC(=O)CCCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001500769736 893757096 /nfs/dbraw/zinc/75/70/96/893757096.db2.gz STOGOXFEBWKVQE-LBPRGKRZSA-N 0 3 273.333 -1.813 20 0 CAADHN Cc1nn[n-]c1C(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001501130549 893781145 /nfs/dbraw/zinc/78/11/45/893781145.db2.gz YKDXTFGJZKHOMO-CBAPKCEASA-N 0 3 280.332 -1.104 20 0 CAADHN CCN1CCC[C@@](CO)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001501342377 893784517 /nfs/dbraw/zinc/78/45/17/893784517.db2.gz XDSAYWMZFKXZMF-CQSZACIVSA-N 0 3 298.387 -1.619 20 0 CAADHN O=C(Cc1nc[nH]n1)N[C@@]1(CO)CCCN(CCCO)C1 ZINC001501360059 893785320 /nfs/dbraw/zinc/78/53/20/893785320.db2.gz PHOCRMNNJWBUCG-ZDUSSCGKSA-N 0 3 297.359 -1.327 20 0 CAADHN CCN1CCC[C@@](CO)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001501341299 893785529 /nfs/dbraw/zinc/78/55/29/893785529.db2.gz GMPLBUHRDRMXPQ-ZWNOBZJWSA-N 0 3 284.360 -1.027 20 0 CAADHN C[C@@H](O)CN1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001501312726 893785829 /nfs/dbraw/zinc/78/58/29/893785829.db2.gz JIYUMQDUGPPCKC-SKDRFNHKSA-N 0 3 273.333 -1.814 20 0 CAADHN C[C@@H](O)CN1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001501312723 893787109 /nfs/dbraw/zinc/78/71/09/893787109.db2.gz JIYUMQDUGPPCKC-BXKDBHETSA-N 0 3 273.333 -1.814 20 0 CAADHN CCCNC(=O)NC(=O)CNCCN(CCO)C(C)=O ZINC001501430120 893793572 /nfs/dbraw/zinc/79/35/72/893793572.db2.gz RSGVXTKQBBTREG-UHFFFAOYSA-N 0 3 288.348 -1.347 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C1CCOCC1)C(N)=O ZINC001501430149 893794293 /nfs/dbraw/zinc/79/42/93/893794293.db2.gz SQHVRTOVNUZLGV-JTQLQIEISA-N 0 3 287.360 -1.303 20 0 CAADHN COCC(=O)N(CCO)CCN[C@H]1CCN(C)C1=O ZINC001501429897 893794351 /nfs/dbraw/zinc/79/43/51/893794351.db2.gz PSFCWZBAIAJRIY-JTQLQIEISA-N 0 3 273.333 -1.726 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C1CCOCC1)C(N)=O ZINC001501430150 893794432 /nfs/dbraw/zinc/79/44/32/893794432.db2.gz SQHVRTOVNUZLGV-SNVBAGLBSA-N 0 3 287.360 -1.303 20 0 CAADHN CCOCC(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001501433832 893794453 /nfs/dbraw/zinc/79/44/53/893794453.db2.gz QYWLBIKHWSEHOK-JTQLQIEISA-N 0 3 273.333 -1.678 20 0 CAADHN O=C(C(F)F)N(CCO)CCN[C@@H]1CCC(=O)NC1=O ZINC001501430165 893794685 /nfs/dbraw/zinc/79/46/85/893794685.db2.gz SZHGOCVLLDNJBH-SSDOTTSWSA-N 0 3 293.270 -1.533 20 0 CAADHN O=C(c1cc[nH]n1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501439548 893796234 /nfs/dbraw/zinc/79/62/34/893796234.db2.gz KUEAFCOKEQKQFW-SECBINFHSA-N 0 3 281.316 -1.678 20 0 CAADHN O=C(c1cc[nH]n1)N(CCO)CCN[C@H]1CCNC1=O ZINC001501439549 893795927 /nfs/dbraw/zinc/79/59/27/893795927.db2.gz KUEAFCOKEQKQFW-VIFPVBQESA-N 0 3 281.316 -1.678 20 0 CAADHN O=C(Cn1cnnn1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501436681 893796191 /nfs/dbraw/zinc/79/61/91/893796191.db2.gz DSTWDCKPXIHREB-SECBINFHSA-N 0 3 297.319 -3.028 20 0 CAADHN O=C(CNCCN(CCO)C(=O)c1cn[nH]c1)N1CCC1 ZINC001501439412 893796592 /nfs/dbraw/zinc/79/65/92/893796592.db2.gz GPMFLTQLGUNZKF-UHFFFAOYSA-N 0 3 295.343 -1.334 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N(CCO)CCNCCF ZINC001501442971 893796780 /nfs/dbraw/zinc/79/67/80/893796780.db2.gz IKPVAVRTOKRCPK-SECBINFHSA-N 0 3 261.297 -1.355 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1CCCOC1 ZINC001501442859 893797328 /nfs/dbraw/zinc/79/73/28/893797328.db2.gz GYGLDIZLLHMKAK-SNVBAGLBSA-N 0 3 273.333 -1.691 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)c2cn[nH]c2)C1=O ZINC001501439387 893797457 /nfs/dbraw/zinc/79/74/57/893797457.db2.gz FYJNJGNEHKQVFQ-NSHDSACASA-N 0 3 295.343 -1.336 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNC(=O)[C@H](C)OC)N(C)C ZINC001501443609 893797630 /nfs/dbraw/zinc/79/76/30/893797630.db2.gz IUOIJDBEZNHDJM-HBNTYKKESA-N 0 3 289.376 -1.045 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@H]1CCCOC1 ZINC001501442858 893797673 /nfs/dbraw/zinc/79/76/73/893797673.db2.gz GYGLDIZLLHMKAK-JTQLQIEISA-N 0 3 273.333 -1.691 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1cocn1 ZINC001501442733 893797677 /nfs/dbraw/zinc/79/76/77/893797677.db2.gz DZHCLPXXOHTGIH-UHFFFAOYSA-N 0 3 256.262 -1.816 20 0 CAADHN O=C(c1cn[nH]c1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501440018 893797694 /nfs/dbraw/zinc/79/76/94/893797694.db2.gz ZZLTXLAHDKLNLN-SNVBAGLBSA-N 0 3 281.316 -1.678 20 0 CAADHN Cc1nn(C)cc1C(=O)N(CCO)CCNCC(N)=O ZINC001501442847 893797706 /nfs/dbraw/zinc/79/77/06/893797706.db2.gz GTXHJZRSLBBNCP-UHFFFAOYSA-N 0 3 283.332 -1.762 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cnnn1C)C(N)=O ZINC001501455624 893799438 /nfs/dbraw/zinc/79/94/38/893799438.db2.gz YKBZPCVFDGOGME-MRVPVSSYSA-N 0 3 284.320 -2.287 20 0 CAADHN NC(=O)CC(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501445853 893799837 /nfs/dbraw/zinc/79/98/37/893799837.db2.gz XBWDYBJKZOSLIQ-MRVPVSSYSA-N 0 3 272.305 -2.839 20 0 CAADHN O=C(CC1(O)CCC1)N(CCO)CCN[C@H]1CCNC1=O ZINC001501457837 893800070 /nfs/dbraw/zinc/80/00/70/893800070.db2.gz GIYRJYOOYPNUDE-NSHDSACASA-N 0 3 299.371 -1.410 20 0 CAADHN O=C([C@H]1CC1(F)F)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501455050 893800188 /nfs/dbraw/zinc/80/01/88/893800188.db2.gz ICMZMUXBBMPABD-RKDXNWHRSA-N 0 3 291.298 -1.059 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1nccc(C)n1 ZINC001501453791 893801071 /nfs/dbraw/zinc/80/10/71/893801071.db2.gz KETQCUJIYVHKQB-UHFFFAOYSA-N 0 3 295.343 -1.445 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H]1CO[C@H](C)C1 ZINC001501469735 893802806 /nfs/dbraw/zinc/80/28/06/893802806.db2.gz UQAYPJVLWGINBD-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN Cc1cncn1CC(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001501474839 893804135 /nfs/dbraw/zinc/80/41/35/893804135.db2.gz NAEUWZNUEQUYCE-LLVKDONJSA-N 0 3 297.359 -1.524 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1CO[C@H](C)C1 ZINC001501469734 893804711 /nfs/dbraw/zinc/80/47/11/893804711.db2.gz UQAYPJVLWGINBD-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cncn1C)C(N)=O ZINC001501472480 893804791 /nfs/dbraw/zinc/80/47/91/893804791.db2.gz LNRINUXIKOIGQM-SECBINFHSA-N 0 3 283.332 -1.682 20 0 CAADHN CCc1n[nH]cc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001501469544 893805273 /nfs/dbraw/zinc/80/52/73/893805273.db2.gz OHXFJYLVOZDABP-SECBINFHSA-N 0 3 297.359 -1.130 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cc1cnc[nH]1)C(N)=O ZINC001501496846 893807986 /nfs/dbraw/zinc/80/79/86/893807986.db2.gz JNYAFDKIIAPHSK-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)Cc1cnoc1 ZINC001501484777 893809582 /nfs/dbraw/zinc/80/95/82/893809582.db2.gz UOEWOKRSAJEOJO-SNVBAGLBSA-N 0 3 298.343 -1.238 20 0 CAADHN CC(C)n1ccc(C(=O)N(CCO)CCNCC(N)=O)n1 ZINC001501497417 893810337 /nfs/dbraw/zinc/81/03/37/893810337.db2.gz XBJHHECYVRQCQO-UHFFFAOYSA-N 0 3 297.359 -1.027 20 0 CAADHN Cn1cc(CNCCN(CCO)C(=O)c2nc[nH]n2)cn1 ZINC001501500887 893811334 /nfs/dbraw/zinc/81/13/34/893811334.db2.gz GQMKGQAEXCUMGB-UHFFFAOYSA-N 0 3 293.331 -1.238 20 0 CAADHN Cc1c[nH]c(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)n1 ZINC001501499836 893811410 /nfs/dbraw/zinc/81/14/10/893811410.db2.gz YNTCFUGTTAJAPS-SNVBAGLBSA-N 0 3 295.343 -1.369 20 0 CAADHN O=C(Cn1cncn1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501511571 893811753 /nfs/dbraw/zinc/81/17/53/893811753.db2.gz VHZIGJJLJKXGDU-SNVBAGLBSA-N 0 3 296.331 -2.423 20 0 CAADHN O=C(Cc1ccc[nH]1)N(CCO)CCN[C@H]1CCNC1=O ZINC001501514325 893812344 /nfs/dbraw/zinc/81/23/44/893812344.db2.gz HTORKOFECPZYRI-LBPRGKRZSA-N 0 3 294.355 -1.144 20 0 CAADHN O=C(Cn1cncn1)N(CCO)CCN[C@H]1CCNC1=O ZINC001501511570 893812655 /nfs/dbraw/zinc/81/26/55/893812655.db2.gz VHZIGJJLJKXGDU-JTQLQIEISA-N 0 3 296.331 -2.423 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)c2cnon2)C1=O ZINC001501501079 893813149 /nfs/dbraw/zinc/81/31/49/893813149.db2.gz OBFPBSWHHYWXEG-SECBINFHSA-N 0 3 297.315 -1.676 20 0 CAADHN O=C(Cc1ccc[nH]1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501514324 893813332 /nfs/dbraw/zinc/81/33/32/893813332.db2.gz HTORKOFECPZYRI-GFCCVEGCSA-N 0 3 294.355 -1.144 20 0 CAADHN CCN(C)C(=O)CNCCN(CCO)C(=O)c1cnon1 ZINC001501500943 893813755 /nfs/dbraw/zinc/81/37/55/893813755.db2.gz JIQKFBUDPDHPKK-UHFFFAOYSA-N 0 3 299.331 -1.428 20 0 CAADHN COc1cccnc1C(=O)N(CCO)CCNCC(N)=O ZINC001501509025 893814236 /nfs/dbraw/zinc/81/42/36/893814236.db2.gz WPTZWOXGJKCAJE-UHFFFAOYSA-N 0 3 296.327 -1.400 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1nonc1C)C(N)=O ZINC001501518748 893814454 /nfs/dbraw/zinc/81/44/54/893814454.db2.gz NHLLMQWKSYXKKE-VIFPVBQESA-N 0 3 299.331 -1.334 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c1ncc[nH]1)N(C)C ZINC001501514543 893815071 /nfs/dbraw/zinc/81/50/71/893815071.db2.gz ARKUVFGCTYLNSR-NXEZZACHSA-N 0 3 297.359 -1.043 20 0 CAADHN CN(C)C1(C(=O)NC[C@H](O)CNC(=O)C(N)=O)CCC1 ZINC001501553770 893817031 /nfs/dbraw/zinc/81/70/31/893817031.db2.gz BYLXDQZRBYDYKK-MRVPVSSYSA-N 0 3 286.332 -2.451 20 0 CAADHN CN(C)C1(C(=O)NC[C@@H](O)CNC(=O)C(N)=O)CCC1 ZINC001501553771 893818029 /nfs/dbraw/zinc/81/80/29/893818029.db2.gz BYLXDQZRBYDYKK-QMMMGPOBSA-N 0 3 286.332 -2.451 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](O)CNC(=O)C(N)=O ZINC001501555475 893818816 /nfs/dbraw/zinc/81/88/16/893818816.db2.gz WDVUDPOIFNVYSS-MRVPVSSYSA-N 0 3 274.321 -2.595 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@@H]2COCCN2CC(N)=O)C1 ZINC001501827772 893826107 /nfs/dbraw/zinc/82/61/07/893826107.db2.gz RYBKAOCDJSLYQT-NWDGAFQWSA-N 0 3 298.387 -1.370 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H](C)NC(N)=O)CCC1 ZINC001501942081 893828386 /nfs/dbraw/zinc/82/83/86/893828386.db2.gz CNOARZSSPIPHNE-QMMMGPOBSA-N 0 3 285.348 -1.582 20 0 CAADHN COC[C@@H](OC)C(=O)NCC1(NCC(N)=O)CCC1 ZINC001501997823 893828750 /nfs/dbraw/zinc/82/87/50/893828750.db2.gz WMPLBSSBLMBZNR-SECBINFHSA-N 0 3 273.333 -1.238 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCC1(NCC(N)=O)CCC1 ZINC001501988372 893828963 /nfs/dbraw/zinc/82/89/63/893828963.db2.gz IUZQWKIFBKSAPE-QMMMGPOBSA-N 0 3 270.333 -1.388 20 0 CAADHN CCNC(=O)CC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001501868857 893829597 /nfs/dbraw/zinc/82/95/97/893829597.db2.gz AWXSBXILIICNGG-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN NC(=O)CNC1(CNC(=O)CCn2cncn2)CCC1 ZINC001501913915 893830681 /nfs/dbraw/zinc/83/06/81/893830681.db2.gz GXTLFDIVZFPNPN-UHFFFAOYSA-N 0 3 280.332 -1.218 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCC1 ZINC001501998803 893831318 /nfs/dbraw/zinc/83/13/18/893831318.db2.gz VFGZQZMSQZSYTH-DTWKUNHWSA-N 0 3 298.343 -1.867 20 0 CAADHN CCO[C@@H](C)C(=O)N1CCO[C@H](CNCC(=O)NC)C1 ZINC001502037867 893832990 /nfs/dbraw/zinc/83/29/90/893832990.db2.gz AHMZDRGKLCHXER-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2ccon2)CCO1)C(N)=O ZINC001502042032 893833583 /nfs/dbraw/zinc/83/35/83/893833583.db2.gz WVZOWSOFBPVULP-RKDXNWHRSA-N 0 3 282.300 -1.021 20 0 CAADHN CC(=O)N1CCO[C@H](CNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001502034049 893833623 /nfs/dbraw/zinc/83/36/23/893833623.db2.gz QILDCJSFUHDRRX-QWHCGFSZSA-N 0 3 299.371 -1.024 20 0 CAADHN CCO[C@@H](C)C(=O)N1CCO[C@@H](CNCC(=O)NC)C1 ZINC001502037866 893833663 /nfs/dbraw/zinc/83/36/63/893833663.db2.gz AHMZDRGKLCHXER-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CCOCC(=O)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001502035664 893833889 /nfs/dbraw/zinc/83/38/89/893833889.db2.gz FELJZAKETSMISH-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)C2CC2)CCO1)C(=O)NC(N)=O ZINC001502034241 893834013 /nfs/dbraw/zinc/83/40/13/893834013.db2.gz UWSIJADPFDWGIX-PSASIEDQSA-N 0 3 298.343 -1.203 20 0 CAADHN CCOCC(=O)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001502035665 893834852 /nfs/dbraw/zinc/83/48/52/893834852.db2.gz FELJZAKETSMISH-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H]1CN(C(C)=O)CCO1 ZINC001502034494 893834984 /nfs/dbraw/zinc/83/49/84/893834984.db2.gz ZQJFOWUAOYLOIG-PSASIEDQSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001502044375 893835328 /nfs/dbraw/zinc/83/53/28/893835328.db2.gz YMXSHZMWRFSLIF-VHSXEESVSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1)C(N)=O ZINC001502040738 893835357 /nfs/dbraw/zinc/83/53/57/893835357.db2.gz GPUTWWDFIGOGLX-PSASIEDQSA-N 0 3 281.316 -1.286 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H]1CN(C(C)=O)CCO1 ZINC001502031906 893836425 /nfs/dbraw/zinc/83/64/25/893836425.db2.gz MEPXUAJFYSDGIA-SNVBAGLBSA-N 0 3 286.332 -1.331 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)C2CC2)CCO1)C(=O)NC(N)=O ZINC001502034243 893835463 /nfs/dbraw/zinc/83/54/63/893835463.db2.gz UWSIJADPFDWGIX-WCBMZHEXSA-N 0 3 298.343 -1.203 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1)C(N)=O ZINC001502051468 893835501 /nfs/dbraw/zinc/83/55/01/893835501.db2.gz PTYVCYZGKHSGKP-RKDXNWHRSA-N 0 3 296.331 -1.881 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001502049393 893835981 /nfs/dbraw/zinc/83/59/81/893835981.db2.gz WWBXVKRLUHJDJP-LLVKDONJSA-N 0 3 293.327 -1.347 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCOC2)CCO1 ZINC001502044391 893836050 /nfs/dbraw/zinc/83/60/50/893836050.db2.gz YRKAHXVCJCIILQ-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001502034067 893836166 /nfs/dbraw/zinc/83/61/66/893836166.db2.gz QMDCTSNRVZDJDP-PSASIEDQSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1)C(N)=O ZINC001502040740 893836658 /nfs/dbraw/zinc/83/66/58/893836658.db2.gz GPUTWWDFIGOGLX-WCBMZHEXSA-N 0 3 281.316 -1.286 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001502049394 893836703 /nfs/dbraw/zinc/83/67/03/893836703.db2.gz WWBXVKRLUHJDJP-NSHDSACASA-N 0 3 293.327 -1.347 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCCOC2)CCO1 ZINC001502044390 893836895 /nfs/dbraw/zinc/83/68/95/893836895.db2.gz YRKAHXVCJCIILQ-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCOC2)CCO1 ZINC001502044389 893836972 /nfs/dbraw/zinc/83/69/72/893836972.db2.gz YRKAHXVCJCIILQ-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001502038361 893837167 /nfs/dbraw/zinc/83/71/67/893837167.db2.gz KITPKBPOANFFLU-SNVBAGLBSA-N 0 3 281.316 -1.815 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001502037923 893837194 /nfs/dbraw/zinc/83/71/94/893837194.db2.gz BETPAGSSZILBOQ-SNVBAGLBSA-N 0 3 281.316 -1.414 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2ccon2)CCO1)C(N)=O ZINC001502042031 893837299 /nfs/dbraw/zinc/83/72/99/893837299.db2.gz WVZOWSOFBPVULP-IUCAKERBSA-N 0 3 282.300 -1.021 20 0 CAADHN COCCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001502033589 893837375 /nfs/dbraw/zinc/83/73/75/893837375.db2.gz HBQKOEPANNKSFP-SECBINFHSA-N 0 3 259.306 -1.675 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cnon2)CCO1)C(N)=O ZINC001502082594 893838467 /nfs/dbraw/zinc/83/84/67/893838467.db2.gz JEHWITORQLTPGE-SFYZADRCSA-N 0 3 283.288 -1.626 20 0 CAADHN Cc1nccc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)n1 ZINC001502092369 893838497 /nfs/dbraw/zinc/83/84/97/893838497.db2.gz NJPCNUWVNPPRKM-SNVBAGLBSA-N 0 3 293.327 -1.299 20 0 CAADHN COC[C@@H](OC)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001502077442 893838614 /nfs/dbraw/zinc/83/86/14/893838614.db2.gz WDQJYLFOOXLHGZ-VHSXEESVSA-N 0 3 289.332 -2.050 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001502079440 893838941 /nfs/dbraw/zinc/83/89/41/893838941.db2.gz QFBYVINUHXYPTA-JTQLQIEISA-N 0 3 281.316 -1.746 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001502096752 893839044 /nfs/dbraw/zinc/83/90/44/893839044.db2.gz DLSOCHHKEPUGQR-JTQLQIEISA-N 0 3 281.316 -1.815 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1)C(N)=O ZINC001502072578 893839153 /nfs/dbraw/zinc/83/91/53/893839153.db2.gz QHCSAGFUDCBYTE-JCIQBVFBSA-N 0 3 297.355 -1.430 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001502068806 893839542 /nfs/dbraw/zinc/83/95/42/893839542.db2.gz JRNOUDTVZQRUSC-KXUCPTDWSA-N 0 3 255.318 -1.055 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)Cc2cnoc2)CCO1 ZINC001502072557 893839690 /nfs/dbraw/zinc/83/96/90/893839690.db2.gz PLYXEZDPKRIVEE-NSHDSACASA-N 0 3 296.327 -1.220 20 0 CAADHN Cc1nccn1CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001502092064 893839994 /nfs/dbraw/zinc/83/99/94/893839994.db2.gz HMQQDMZLXRYSGQ-LLVKDONJSA-N 0 3 295.343 -1.506 20 0 CAADHN CO[C@H](C(=O)N1CCO[C@H](CNCC(N)=O)C1)C(C)C ZINC001502074610 893840482 /nfs/dbraw/zinc/84/04/82/893840482.db2.gz KWRGWRUTOOUWFM-PWSUYJOCSA-N 0 3 287.360 -1.040 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001502075252 893840573 /nfs/dbraw/zinc/84/05/73/893840573.db2.gz XYGKRWKTLOOWPX-SFYZADRCSA-N 0 3 285.304 -3.030 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2cscn2)CCO1 ZINC001502080662 893840627 /nfs/dbraw/zinc/84/06/27/893840627.db2.gz BKRPENCYIZHPDU-SNVBAGLBSA-N 0 3 298.368 -1.012 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001502083450 893840742 /nfs/dbraw/zinc/84/07/42/893840742.db2.gz ZFYLPNFMEFDZTN-SSDOTTSWSA-N 0 3 269.261 -2.015 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CCn2ccnc2)CCO1 ZINC001502066919 893840947 /nfs/dbraw/zinc/84/09/47/893840947.db2.gz REGZNJSJQVVGGH-NSHDSACASA-N 0 3 295.343 -1.425 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001502075250 893841131 /nfs/dbraw/zinc/84/11/31/893841131.db2.gz XYGKRWKTLOOWPX-HTQZYQBOSA-N 0 3 285.304 -3.030 20 0 CAADHN CN(CCC[N@H+](C)CC(N)=O)C(=O)Cc1nnc[n-]1 ZINC001502388633 893843095 /nfs/dbraw/zinc/84/30/95/893843095.db2.gz DNOPJMJHWGJCPS-UHFFFAOYSA-N 0 3 268.321 -1.387 20 0 CAADHN CN(CCC[N@@H+](C)CC(N)=O)C(=O)Cc1nnc[n-]1 ZINC001502388633 893843112 /nfs/dbraw/zinc/84/31/12/893843112.db2.gz DNOPJMJHWGJCPS-UHFFFAOYSA-N 0 3 268.321 -1.387 20 0 CAADHN COCCCN1CCN([C@@H]2CCN(C(=O)C(N)=O)C2)CC1 ZINC001502102311 893845778 /nfs/dbraw/zinc/84/57/78/893845778.db2.gz UVGQESFOUWSGEH-GFCCVEGCSA-N 0 3 298.387 -1.273 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001502470769 893852711 /nfs/dbraw/zinc/85/27/11/893852711.db2.gz QMGNSKBHNQDTCK-LLVKDONJSA-N 0 3 298.387 -1.227 20 0 CAADHN NC(=O)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2nnc[n-]2)C1 ZINC001502594918 893854193 /nfs/dbraw/zinc/85/41/93/893854193.db2.gz FUDIBNJVJKLCEL-GFCCVEGCSA-N 0 3 296.331 -2.224 20 0 CAADHN C[C@H](CNC(=O)CN1CCC[C@@H]1C)NC(=O)C(N)=O ZINC001502604041 893854925 /nfs/dbraw/zinc/85/49/25/893854925.db2.gz JXNPMOFFFILSIC-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@@H]2CCCO2)CCOCC1 ZINC001502612270 893856294 /nfs/dbraw/zinc/85/62/94/893856294.db2.gz SJCJBGPINHRWQS-JTQLQIEISA-N 0 3 285.344 -1.094 20 0 CAADHN Cn1nccc1C(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001502615708 893856525 /nfs/dbraw/zinc/85/65/25/893856525.db2.gz DNEJQKHDJKVYNT-UHFFFAOYSA-N 0 3 295.343 -1.226 20 0 CAADHN Cn1cc(C(=O)NC2(CNCC(N)=O)CCOCC2)cn1 ZINC001502612468 893856645 /nfs/dbraw/zinc/85/66/45/893856645.db2.gz WHIPUBSKXWXWCM-UHFFFAOYSA-N 0 3 295.343 -1.226 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1NCC(=O)NC(N)=O ZINC001502701733 893857439 /nfs/dbraw/zinc/85/74/39/893857439.db2.gz SUXNLCOYJNEXSH-APPZFPTMSA-N 0 3 294.315 -1.345 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001502698074 893857497 /nfs/dbraw/zinc/85/74/97/893857497.db2.gz LIGIWXQPEVZEJB-KOLCDFICSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1NCC(N)=O ZINC001502724759 893857539 /nfs/dbraw/zinc/85/75/39/893857539.db2.gz PWBILLALNATSME-BQBZGAKWSA-N 0 3 292.286 -1.711 20 0 CAADHN C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1NCC(N)=O ZINC001502752293 893857744 /nfs/dbraw/zinc/85/77/44/893857744.db2.gz XNQJPMSQHGNKSD-MNOVXSKESA-N 0 3 294.359 -1.020 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC001502719006 893857912 /nfs/dbraw/zinc/85/79/12/893857912.db2.gz NBXLXFPWLWVROP-IUCAKERBSA-N 0 3 285.348 -1.902 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C ZINC001502710463 893858137 /nfs/dbraw/zinc/85/81/37/893858137.db2.gz ZHFYODKBPZRZSP-SCZZXKLOSA-N 0 3 294.359 -1.202 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001502711922 893858244 /nfs/dbraw/zinc/85/82/44/893858244.db2.gz HXQCEOGDTBSUFR-BDAKNGLRSA-N 0 3 285.348 -1.773 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001502719004 893858292 /nfs/dbraw/zinc/85/82/92/893858292.db2.gz NBXLXFPWLWVROP-BDAKNGLRSA-N 0 3 285.348 -1.902 20 0 CAADHN C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1NCC(=O)NC(N)=O ZINC001502701742 893858510 /nfs/dbraw/zinc/85/85/10/893858510.db2.gz SUXNLCOYJNEXSH-IONNQARKSA-N 0 3 294.315 -1.345 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1NCC(N)=O ZINC001502748160 893858822 /nfs/dbraw/zinc/85/88/22/893858822.db2.gz OOFRJCFOTQJMNV-WPRPVWTQSA-N 0 3 282.344 -1.566 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@H](C)[C@H](NCCF)C1 ZINC001502759697 893858918 /nfs/dbraw/zinc/85/89/18/893858918.db2.gz KSQGWPLEIBGZQM-DTWKUNHWSA-N 0 3 281.353 -1.058 20 0 CAADHN CCN(CC)C(=O)CN[C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001502737969 893859216 /nfs/dbraw/zinc/85/92/16/893859216.db2.gz GIWRKIUXVZGMJP-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001502711924 893859332 /nfs/dbraw/zinc/85/93/32/893859332.db2.gz HXQCEOGDTBSUFR-IUCAKERBSA-N 0 3 285.348 -1.773 20 0 CAADHN C[C@H]1CN(C(=O)CCCn2cncn2)C[C@H]1NCC(N)=O ZINC001502752297 893859932 /nfs/dbraw/zinc/85/99/32/893859932.db2.gz XNQJPMSQHGNKSD-WDEREUQCSA-N 0 3 294.359 -1.020 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2cnon2)CCOCC1 ZINC001502638289 893860028 /nfs/dbraw/zinc/86/00/28/893860028.db2.gz UHDKDFAVUAEFLB-UHFFFAOYSA-N 0 3 283.288 -1.577 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NCC(N)=O ZINC001502748159 893860296 /nfs/dbraw/zinc/86/02/96/893860296.db2.gz OOFRJCFOTQJMNV-WCBMZHEXSA-N 0 3 282.344 -1.566 20 0 CAADHN CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2nc[n-]n2)C[C@@H]1C ZINC001502748576 893860609 /nfs/dbraw/zinc/86/06/09/893860609.db2.gz VXMPXPCFIZPEFP-IUCAKERBSA-N 0 3 280.332 -1.009 20 0 CAADHN C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1NCC(=O)N(C)C ZINC001502734849 893860932 /nfs/dbraw/zinc/86/09/32/893860932.db2.gz LSXODWRCEPRIAD-IUCAKERBSA-N 0 3 295.347 -1.652 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cn2cncn2)CCOCC1 ZINC001502643800 893861029 /nfs/dbraw/zinc/86/10/29/893861029.db2.gz NYTUXXKHXQDUDD-UHFFFAOYSA-N 0 3 296.331 -1.982 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001502852219 893863555 /nfs/dbraw/zinc/86/35/55/893863555.db2.gz OZXRZXCVVXMFQI-NSHDSACASA-N 0 3 299.371 -1.146 20 0 CAADHN CNC(=O)[C@@H](C)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001502883651 893864222 /nfs/dbraw/zinc/86/42/22/893864222.db2.gz RPCJJEJRLFTPSO-MRVPVSSYSA-N 0 3 286.332 -2.451 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)Cn2cncn2)CC1 ZINC001502895734 893864648 /nfs/dbraw/zinc/86/46/48/893864648.db2.gz VOQOKBLYYCPXTR-UHFFFAOYSA-N 0 3 296.331 -2.294 20 0 CAADHN Cn1cc(C(=O)NC2(CO)CCN(CCO)CC2)cn1 ZINC001503840857 893866455 /nfs/dbraw/zinc/86/64/55/893866455.db2.gz VUOJTCUJCGVACR-UHFFFAOYSA-N 0 3 282.344 -1.031 20 0 CAADHN COCCN1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001505387916 893872332 /nfs/dbraw/zinc/87/23/32/893872332.db2.gz YZXNQSQMLPRXPI-MNOVXSKESA-N 0 3 299.371 -1.303 20 0 CAADHN Cn1nncc1C(=O)NC1(CO)CCN(CCO)CC1 ZINC001505363046 893872451 /nfs/dbraw/zinc/87/24/51/893872451.db2.gz OGNGPXKHXPMBOX-UHFFFAOYSA-N 0 3 283.332 -1.636 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CN(C)CCO ZINC001505427939 893873419 /nfs/dbraw/zinc/87/34/19/893873419.db2.gz RYIWOWNFGNTXSX-VHSXEESVSA-N 0 3 272.349 -1.042 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@H]1CNC(=O)N1 ZINC001505386357 893873943 /nfs/dbraw/zinc/87/39/43/893873943.db2.gz MAUONFPVIZTJPV-SECBINFHSA-N 0 3 286.332 -2.397 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1CN(C)CCO ZINC001505427938 893874889 /nfs/dbraw/zinc/87/48/89/893874889.db2.gz RYIWOWNFGNTXSX-UWVGGRQHSA-N 0 3 272.349 -1.042 20 0 CAADHN CN(CCO)C[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001505462234 893877205 /nfs/dbraw/zinc/87/72/05/893877205.db2.gz NJOLSPJDRCDHJA-JTQLQIEISA-N 0 3 272.349 -1.040 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](C)[C@H](C)NC(=O)COC ZINC001505540359 893881951 /nfs/dbraw/zinc/88/19/51/893881951.db2.gz DZIWNCPVCAFJTO-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CN(C)C(=O)C[NH2+]CC1CC(NC(=O)Cc2nnc[n-]2)C1 ZINC001505530328 893882348 /nfs/dbraw/zinc/88/23/48/893882348.db2.gz YWHPOPDUOFDCII-UHFFFAOYSA-N 0 3 294.359 -1.080 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CNC(=O)NC ZINC001505619172 893883459 /nfs/dbraw/zinc/88/34/59/893883459.db2.gz VRSBAHHMCKZGGK-IUCAKERBSA-N 0 3 287.364 -1.466 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cnc2n1CCOC2 ZINC001505625626 893884106 /nfs/dbraw/zinc/88/41/06/893884106.db2.gz MCRJSMDHTUDIIC-IUCAKERBSA-N 0 3 295.343 -1.005 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001505628857 893885718 /nfs/dbraw/zinc/88/57/18/893885718.db2.gz KZWTXZZTHAGSRX-JGVFFNPUSA-N 0 3 272.349 -1.273 20 0 CAADHN CCn1ncc(C(=O)N[C@H](C)[C@@H](C)NCC(N)=O)n1 ZINC001505599648 893885867 /nfs/dbraw/zinc/88/58/67/893885867.db2.gz PBUNPDGWXALQJC-HTQZYQBOSA-N 0 3 268.321 -1.120 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001505636304 893886185 /nfs/dbraw/zinc/88/61/85/893886185.db2.gz BPJJPLFXORFUMT-YUMQZZPRSA-N 0 3 279.362 -1.611 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CNC(=O)NC ZINC001505619170 893886759 /nfs/dbraw/zinc/88/67/59/893886759.db2.gz VRSBAHHMCKZGGK-BDAKNGLRSA-N 0 3 287.364 -1.466 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CNC(=O)NC ZINC001505619173 893886896 /nfs/dbraw/zinc/88/68/96/893886896.db2.gz VRSBAHHMCKZGGK-RKDXNWHRSA-N 0 3 287.364 -1.466 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)Cc1ccn(C)n1 ZINC001505602593 893887156 /nfs/dbraw/zinc/88/71/56/893887156.db2.gz KSGZVQGRCPBOIT-RKDXNWHRSA-N 0 3 267.333 -1.069 20 0 CAADHN CC(C)N(C)C(=O)CN[C@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001505682391 893888805 /nfs/dbraw/zinc/88/88/05/893888805.db2.gz SEWSFVHODUAAQV-RKDXNWHRSA-N 0 3 272.349 -1.179 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1ccn2nnnc2c1 ZINC001505670683 893890147 /nfs/dbraw/zinc/89/01/47/893890147.db2.gz HVALSMMLBZBPDC-HTQZYQBOSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1ccncn1 ZINC001505713501 893890302 /nfs/dbraw/zinc/89/03/02/893890302.db2.gz OMZRRSHSGVWVCK-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](NC(=O)c1cnn(C)n1)[C@H](C)NCC(N)=O ZINC001505710448 893890784 /nfs/dbraw/zinc/89/07/84/893890784.db2.gz QMEUNGNDUTXNBB-NKWVEPMBSA-N 0 3 254.294 -1.603 20 0 CAADHN CCCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001505670522 893890995 /nfs/dbraw/zinc/89/09/95/893890995.db2.gz FUAPMCWGOKVKMW-RKDXNWHRSA-N 0 3 297.363 -1.167 20 0 CAADHN CCCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001505670521 893891174 /nfs/dbraw/zinc/89/11/74/893891174.db2.gz FUAPMCWGOKVKMW-IUCAKERBSA-N 0 3 297.363 -1.167 20 0 CAADHN CC(C)N(C)C(=O)CN[C@@H](C)[C@H](C)NC(=O)C(N)=O ZINC001505682390 893891290 /nfs/dbraw/zinc/89/12/90/893891290.db2.gz SEWSFVHODUAAQV-IUCAKERBSA-N 0 3 272.349 -1.179 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1ccn2nnnc2c1 ZINC001505670685 893891836 /nfs/dbraw/zinc/89/18/36/893891836.db2.gz HVALSMMLBZBPDC-SFYZADRCSA-N 0 3 291.315 -1.294 20 0 CAADHN CC(=O)NC[C@@H](C)N(C)C[C@H](O)CN1C(=O)CCC1=O ZINC001505852630 893894650 /nfs/dbraw/zinc/89/46/50/893894650.db2.gz SGCFMFXOQUVDLR-KOLCDFICSA-N 0 3 285.344 -1.047 20 0 CAADHN CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)C(N)=O ZINC001505730221 893895152 /nfs/dbraw/zinc/89/51/52/893895152.db2.gz UAXCOGIQGVJNMV-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN C[C@H]1CCCN1CC(=O)N1CC[C@@H]1CNC(=O)C(N)=O ZINC001505856847 893895395 /nfs/dbraw/zinc/89/53/95/893895395.db2.gz FIDQULAFWKSCGZ-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)CC(N)=O ZINC001505759095 893895518 /nfs/dbraw/zinc/89/55/18/893895518.db2.gz PGFFHLJSTJKHHK-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](NCCF)[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001505760670 893896880 /nfs/dbraw/zinc/89/68/80/893896880.db2.gz NXLPELKVDQUXOU-HTQZYQBOSA-N 0 3 286.311 -1.171 20 0 CAADHN CN(C)C1(C(=O)NC[C@@H]2CCN2C(=O)C(N)=O)CCC1 ZINC001505762797 893897167 /nfs/dbraw/zinc/89/71/67/893897167.db2.gz XPTNDUOEUTZOJA-VIFPVBQESA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@H]2CCN2C(=O)CC(N)=O)C1 ZINC001505889130 893898243 /nfs/dbraw/zinc/89/82/43/893898243.db2.gz IMMWLQFYBCVLHU-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@H]2CNC(=O)C(N)=O)C1 ZINC001505857408 893900629 /nfs/dbraw/zinc/90/06/29/893900629.db2.gz RRIHKARWWSYACA-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@H]2CNC(=O)C(N)=O)C1 ZINC001505857410 893901204 /nfs/dbraw/zinc/90/12/04/893901204.db2.gz RRIHKARWWSYACA-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)N(C)CCO ZINC001505951042 893904044 /nfs/dbraw/zinc/90/40/44/893904044.db2.gz PSHGJIAQGNCXPS-LLVKDONJSA-N 0 3 286.376 -1.811 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)CCOCCO ZINC001505912598 893906125 /nfs/dbraw/zinc/90/61/25/893906125.db2.gz LFIDVCXDZRJNHZ-ZJUUUORDSA-N 0 3 289.332 -1.460 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)N(C)CCOCCO ZINC001505912597 893906551 /nfs/dbraw/zinc/90/65/51/893906551.db2.gz LFIDVCXDZRJNHZ-VHSXEESVSA-N 0 3 289.332 -1.460 20 0 CAADHN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)N(C)CCO ZINC001505951044 893907279 /nfs/dbraw/zinc/90/72/79/893907279.db2.gz PSHGJIAQGNCXPS-NSHDSACASA-N 0 3 286.376 -1.811 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)N(C)CCO ZINC001506012608 893910868 /nfs/dbraw/zinc/91/08/68/893910868.db2.gz JEYKEPOOOIHBDB-VIFPVBQESA-N 0 3 298.343 -1.874 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)N(C)CCO ZINC001506058782 893916043 /nfs/dbraw/zinc/91/60/43/893916043.db2.gz LHEHGAHTDZKXCG-BDAKNGLRSA-N 0 3 279.362 -1.893 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)N(C)C[C@@H]1CCc2ncnn21 ZINC001505990935 893912800 /nfs/dbraw/zinc/91/28/00/893912800.db2.gz KZAGBYWLDXKSAC-IUCAKERBSA-N 0 3 280.332 -1.313 20 0 CAADHN COCCN(C)[C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001506009500 893913511 /nfs/dbraw/zinc/91/35/11/893913511.db2.gz DKXXTPORACZNCV-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)N(C)CCO ZINC001506058785 893917660 /nfs/dbraw/zinc/91/76/60/893917660.db2.gz LHEHGAHTDZKXCG-RKDXNWHRSA-N 0 3 279.362 -1.893 20 0 CAADHN CC(=O)NCC(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC001506253995 893928050 /nfs/dbraw/zinc/92/80/50/893928050.db2.gz KMHZJKGRFDMIMG-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)C1CN(CCCO)C1 ZINC001506585900 893930533 /nfs/dbraw/zinc/93/05/33/893930533.db2.gz ILIKTSLVDNHMGM-SECBINFHSA-N 0 3 257.334 -1.059 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)C1CN(CCOC)C1 ZINC001506619155 893934898 /nfs/dbraw/zinc/93/48/98/893934898.db2.gz RLYWPNYOHPOKNY-VIFPVBQESA-N 0 3 272.349 -1.002 20 0 CAADHN COCCN1CC([C@@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001506630295 893935587 /nfs/dbraw/zinc/93/55/87/893935587.db2.gz DXACSAQMYYMULI-SNVBAGLBSA-N 0 3 297.359 -1.335 20 0 CAADHN C[C@@H](NC(=O)Cn1ncn(C)c1=O)C1CN(CCCO)C1 ZINC001506640796 893935658 /nfs/dbraw/zinc/93/56/58/893935658.db2.gz LWSIAVHLIMCLEX-SNVBAGLBSA-N 0 3 297.359 -1.599 20 0 CAADHN COCCN1CC([C@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001506630276 893936206 /nfs/dbraw/zinc/93/62/06/893936206.db2.gz DXACSAQMYYMULI-JTQLQIEISA-N 0 3 297.359 -1.335 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)C1CN(CCCO)C1 ZINC001506620803 893936992 /nfs/dbraw/zinc/93/69/92/893936992.db2.gz WUDUZLDLHVRBFK-VIFPVBQESA-N 0 3 272.349 -1.266 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2ccon2)CCO1 ZINC001506839846 893942159 /nfs/dbraw/zinc/94/21/59/893942159.db2.gz VCKMGHQOIWVXFS-PSASIEDQSA-N 0 3 282.300 -1.021 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001506844038 893942211 /nfs/dbraw/zinc/94/22/11/893942211.db2.gz YDTOCOZJBYBQLH-SCZZXKLOSA-N 0 3 296.331 -1.881 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001506840213 893942556 /nfs/dbraw/zinc/94/25/56/893942556.db2.gz PLWQEPORGHXRCH-GXSJLCMTSA-N 0 3 295.343 -1.276 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001506832967 893943004 /nfs/dbraw/zinc/94/30/04/893943004.db2.gz KMFDULRIBJHTCT-RKDXNWHRSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001506844040 893943178 /nfs/dbraw/zinc/94/31/78/893943178.db2.gz YDTOCOZJBYBQLH-WPRPVWTQSA-N 0 3 296.331 -1.881 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001506832960 893943207 /nfs/dbraw/zinc/94/32/07/893943207.db2.gz KMFDULRIBJHTCT-DTWKUNHWSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001506840214 893943405 /nfs/dbraw/zinc/94/34/05/893943405.db2.gz PLWQEPORGHXRCH-KOLCDFICSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001506844039 893943444 /nfs/dbraw/zinc/94/34/44/893943444.db2.gz YDTOCOZJBYBQLH-WCBMZHEXSA-N 0 3 296.331 -1.881 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@H]1CN(C(C)=O)CCO1 ZINC001506837695 893943474 /nfs/dbraw/zinc/94/34/74/893943474.db2.gz ULEQYYHVKGLETG-WCBMZHEXSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001506844377 893945865 /nfs/dbraw/zinc/94/58/65/893945865.db2.gz LOMHBQJYPIFIOX-NKWVEPMBSA-N 0 3 258.278 -2.838 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001506856905 893947283 /nfs/dbraw/zinc/94/72/83/893947283.db2.gz ZCLCKNSZPGDVDM-IVZWLZJFSA-N 0 3 282.344 -1.436 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001506856923 893947581 /nfs/dbraw/zinc/94/75/81/893947581.db2.gz ZCLCKNSZPGDVDM-LPEHRKFASA-N 0 3 282.344 -1.436 20 0 CAADHN CC(=O)NCC(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC001506955183 893949657 /nfs/dbraw/zinc/94/96/57/893949657.db2.gz XPJRCXJYBNUIRD-VIFPVBQESA-N 0 3 284.360 -1.081 20 0 CAADHN CC(=O)NCCOCCN(C)CCN1C(=O)CNC1=O ZINC001506971145 893950860 /nfs/dbraw/zinc/95/08/60/893950860.db2.gz LIHGVTOKIMFUOA-UHFFFAOYSA-N 0 3 286.332 -1.377 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cccn1)NCC(=O)NC(N)=O ZINC001507045006 893950923 /nfs/dbraw/zinc/95/09/23/893950923.db2.gz JJNMKUIKQPOETK-VIFPVBQESA-N 0 3 296.331 -1.486 20 0 CAADHN CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H](CNCC(N)=O)C1CC1 ZINC001507018047 893951073 /nfs/dbraw/zinc/95/10/73/893951073.db2.gz GUFNGEQVUTUFFX-VHSXEESVSA-N 0 3 297.359 -1.678 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001507017712 893951603 /nfs/dbraw/zinc/95/16/03/893951603.db2.gz CNZOLGOWACNNKM-WCBMZHEXSA-N 0 3 284.360 -1.190 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001507005902 893951865 /nfs/dbraw/zinc/95/18/65/893951865.db2.gz CFWZAVFNVRJQPJ-UWVGGRQHSA-N 0 3 298.343 -1.333 20 0 CAADHN COCC(=O)N(C)C[C@H](C)NCCNS(C)(=O)=O ZINC001507040369 893952078 /nfs/dbraw/zinc/95/20/78/893952078.db2.gz IIRBRDKSGYZQKA-VIFPVBQESA-N 0 3 281.378 -1.382 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001507003746 893952294 /nfs/dbraw/zinc/95/22/94/893952294.db2.gz XTRVOINNAXWJSD-MNOVXSKESA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001507017709 893953017 /nfs/dbraw/zinc/95/30/17/893953017.db2.gz CNZOLGOWACNNKM-PSASIEDQSA-N 0 3 284.360 -1.190 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001507005904 893953121 /nfs/dbraw/zinc/95/31/21/893953121.db2.gz CFWZAVFNVRJQPJ-VHSXEESVSA-N 0 3 298.343 -1.333 20 0 CAADHN CN(C(=O)C(N)=O)[C@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001507021125 893953199 /nfs/dbraw/zinc/95/31/99/893953199.db2.gz CBVMUMYMMVLERY-VHSXEESVSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)NCC(N)=O ZINC001507086960 893954348 /nfs/dbraw/zinc/95/43/48/893954348.db2.gz GDYLUDGBLMKNQS-RNCFNFMXSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CC(N)=O)C(=O)N(C)C ZINC001507057435 893954471 /nfs/dbraw/zinc/95/44/71/893954471.db2.gz XLGHYYOPQJQQEA-DTWKUNHWSA-N 0 3 272.349 -1.225 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O ZINC001507073189 893954723 /nfs/dbraw/zinc/95/47/23/893954723.db2.gz APQZRXTVSYAJDR-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CC[C@H](N[C@H](C)CN(C)C(=O)Cn1cnnn1)C(N)=O ZINC001507049999 893954780 /nfs/dbraw/zinc/95/47/80/893954780.db2.gz QKFJBHDGOFHHAG-BDAKNGLRSA-N 0 3 283.336 -1.627 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)CC(N)=O ZINC001507060192 893955037 /nfs/dbraw/zinc/95/50/37/893955037.db2.gz PMHPZNVOIMAYBZ-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001507112529 893955108 /nfs/dbraw/zinc/95/51/08/893955108.db2.gz UKCDWOCCUTWVHU-SECBINFHSA-N 0 3 297.363 -1.262 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@H](C)N[C@@H]1CCNC1=O ZINC001507066705 893955337 /nfs/dbraw/zinc/95/53/37/893955337.db2.gz URMSXEWNKNXUJY-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)NCC(N)=O ZINC001507083852 893955576 /nfs/dbraw/zinc/95/55/76/893955576.db2.gz WDRDSYKCALHTKV-BDAKNGLRSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnco1)NCC(=O)NC(N)=O ZINC001507104767 893955645 /nfs/dbraw/zinc/95/56/45/893955645.db2.gz QAOVPOZBZLZVRO-ZETCQYMHSA-N 0 3 283.288 -1.080 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001507051055 893955729 /nfs/dbraw/zinc/95/57/29/893955729.db2.gz AAYVPFKZENWORN-SECBINFHSA-N 0 3 288.348 -1.133 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)NCC(N)=O ZINC001507086962 893955847 /nfs/dbraw/zinc/95/58/47/893955847.db2.gz GDYLUDGBLMKNQS-ZANVPECISA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@@H]1NC(=O)NC1=O)NCCF ZINC001507089330 893956235 /nfs/dbraw/zinc/95/62/35/893956235.db2.gz AOAUERCVGRDVIZ-SFYZADRCSA-N 0 3 274.296 -1.010 20 0 CAADHN COCCn1cc(C(=O)N(C)C[C@H](C)NCC(N)=O)nn1 ZINC001507070275 893956327 /nfs/dbraw/zinc/95/63/27/893956327.db2.gz FFYDYTVTEWEBKV-VIFPVBQESA-N 0 3 298.347 -1.540 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@@H](C)N[C@@H]1CCNC1=O ZINC001507066701 893956394 /nfs/dbraw/zinc/95/63/94/893956394.db2.gz URMSXEWNKNXUJY-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)c1cnnn1C)C(N)=O ZINC001507071094 893956495 /nfs/dbraw/zinc/95/64/95/893956495.db2.gz XCWVVIADJUZUKD-JGVFFNPUSA-N 0 3 268.321 -1.261 20 0 CAADHN C[C@H](CN(C)C(=O)c1ncn(C)n1)N[C@@H](C)C(N)=O ZINC001507073811 893956599 /nfs/dbraw/zinc/95/65/99/893956599.db2.gz FWPXFQOTWXOXNQ-SFYZADRCSA-N 0 3 268.321 -1.261 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)NCC(N)=O ZINC001507083856 893956691 /nfs/dbraw/zinc/95/66/91/893956691.db2.gz WDRDSYKCALHTKV-IUCAKERBSA-N 0 3 270.333 -1.614 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001507111219 893957423 /nfs/dbraw/zinc/95/74/23/893957423.db2.gz RYDHNQHBBOQKFO-BDAKNGLRSA-N 0 3 272.349 -1.320 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001507083812 893957209 /nfs/dbraw/zinc/95/72/09/893957209.db2.gz VQRYPFYPVLGVGA-SECBINFHSA-N 0 3 287.364 -1.560 20 0 CAADHN C[C@H](CN(C)C(=O)c1ncn(C)n1)N[C@H](C)C(N)=O ZINC001507073809 893957298 /nfs/dbraw/zinc/95/72/98/893957298.db2.gz FWPXFQOTWXOXNQ-HTQZYQBOSA-N 0 3 268.321 -1.261 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001507051056 893957326 /nfs/dbraw/zinc/95/73/26/893957326.db2.gz AAYVPFKZENWORN-VIFPVBQESA-N 0 3 288.348 -1.133 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cc(=O)n(C)cn1)N[C@@H](C)C(N)=O ZINC001507086327 893957747 /nfs/dbraw/zinc/95/77/47/893957747.db2.gz RRIKDVONNQKXBR-IUCAKERBSA-N 0 3 295.343 -1.296 20 0 CAADHN CC[C@@H](N[C@H](C)CN(C)C(=O)Cn1cnnn1)C(N)=O ZINC001507050005 893957951 /nfs/dbraw/zinc/95/79/51/893957951.db2.gz QKFJBHDGOFHHAG-RKDXNWHRSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)c1ncn(C)n1)C(N)=O ZINC001507073810 893957979 /nfs/dbraw/zinc/95/79/79/893957979.db2.gz FWPXFQOTWXOXNQ-JGVFFNPUSA-N 0 3 268.321 -1.261 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnn(C)c1N)NCC(N)=O ZINC001507064169 893958220 /nfs/dbraw/zinc/95/82/20/893958220.db2.gz BBFIOIFURHORFM-SSDOTTSWSA-N 0 3 268.321 -1.462 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C1=O)NCC(=O)N(C)C ZINC001507114550 893960329 /nfs/dbraw/zinc/96/03/29/893960329.db2.gz SAMDVYFXWXQQDI-WDEREUQCSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001507132328 893960539 /nfs/dbraw/zinc/96/05/39/893960539.db2.gz PHWBGLIQZFZVLC-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1cnccc1=O)NCC(N)=O ZINC001507139000 893961106 /nfs/dbraw/zinc/96/11/06/893961106.db2.gz RSBXYTNTOPZPRK-SNVBAGLBSA-N 0 3 295.343 -1.445 20 0 CAADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)N[C@H]1CCNC1=O ZINC001507153329 893961166 /nfs/dbraw/zinc/96/11/66/893961166.db2.gz RBUSQLPZGVCHEU-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CCCC(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001507165426 893961547 /nfs/dbraw/zinc/96/15/47/893961547.db2.gz ASPOUASFWGTNTE-JTQLQIEISA-N 0 3 272.349 -1.122 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)NCC(=O)N(C)C ZINC001507115953 893962086 /nfs/dbraw/zinc/96/20/86/893962086.db2.gz PJSHGLVZFYHQRD-RKDXNWHRSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)NCC(=O)N(C)C ZINC001507116301 893962217 /nfs/dbraw/zinc/96/22/17/893962217.db2.gz QVQACYPJEKBDTH-SECBINFHSA-N 0 3 295.343 -1.092 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCN(C)C1=O)NCC(=O)N(C)C ZINC001507114547 893962231 /nfs/dbraw/zinc/96/22/31/893962231.db2.gz SAMDVYFXWXQQDI-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001507121975 893962359 /nfs/dbraw/zinc/96/23/59/893962359.db2.gz MTYFYKMZHJQBPV-RNCFNFMXSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001507118872 893962553 /nfs/dbraw/zinc/96/25/53/893962553.db2.gz ROEGBHPIBHGZQS-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnn(C)n1)NCC(=O)N(C)C ZINC001507134355 893962822 /nfs/dbraw/zinc/96/28/22/893962822.db2.gz KVYYIQGENHGOPE-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)NCC(=O)N(C)C ZINC001507116304 893963047 /nfs/dbraw/zinc/96/30/47/893963047.db2.gz QVQACYPJEKBDTH-VIFPVBQESA-N 0 3 295.343 -1.092 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)NCC(=O)N(C)C ZINC001507115946 893963210 /nfs/dbraw/zinc/96/32/10/893963210.db2.gz PJSHGLVZFYHQRD-BDAKNGLRSA-N 0 3 285.348 -1.808 20 0 CAADHN O=C(NCCN[C@H](CO)CNC(=O)[C@@H]1CCCO1)C1CC1 ZINC001507175962 893968894 /nfs/dbraw/zinc/96/88/94/893968894.db2.gz UUVKXRAUXVMFQC-RYUDHWBXSA-N 0 3 299.371 -1.242 20 0 CAADHN O=C(NCCN[C@@H](CO)CNC(=O)[C@H]1CCCO1)C1CC1 ZINC001507175963 893970548 /nfs/dbraw/zinc/97/05/48/893970548.db2.gz UUVKXRAUXVMFQC-VXGBXAGGSA-N 0 3 299.371 -1.242 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cc[n+]([O-])cc1 ZINC001507172000 893971296 /nfs/dbraw/zinc/97/12/96/893971296.db2.gz ODTYOGLMPSQJMJ-NSHDSACASA-N 0 3 269.301 -1.353 20 0 CAADHN COCCN[C@H](CO)CNC(=O)Cc1cnn(C)c1 ZINC001507178626 893976060 /nfs/dbraw/zinc/97/60/60/893976060.db2.gz LDTQVASXBZQXKF-NSHDSACASA-N 0 3 270.333 -1.324 20 0 CAADHN O=C(NC[C@@H](CO)NCCNC(=O)C1CC1)c1cn[nH]c1 ZINC001507180235 893977168 /nfs/dbraw/zinc/97/71/68/893977168.db2.gz ZJVNOFHQTWBLQQ-NSHDSACASA-N 0 3 295.343 -1.384 20 0 CAADHN Cc1nc(C)n(CCN[C@@H](CO)CNC(=O)CC(N)=O)n1 ZINC001507182178 893978958 /nfs/dbraw/zinc/97/89/58/893978958.db2.gz HQBWNDQCFFJOLF-SNVBAGLBSA-N 0 3 298.347 -2.163 20 0 CAADHN CN(C)C(=O)CN[C@@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001507185037 893982176 /nfs/dbraw/zinc/98/21/76/893982176.db2.gz IBKBBTYGBJBLAM-SECBINFHSA-N 0 3 298.347 -2.108 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001507187758 893982544 /nfs/dbraw/zinc/98/25/44/893982544.db2.gz GTMNNAVEOMYSNP-NXEZZACHSA-N 0 3 274.317 -1.347 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C[C@H]1COC(=O)C1 ZINC001507187761 893985270 /nfs/dbraw/zinc/98/52/70/893985270.db2.gz GTMNNAVEOMYSNP-ZJUUUORDSA-N 0 3 274.317 -1.347 20 0 CAADHN Cc1nc(CC(=O)NC[C@@H](CO)NCCF)n[nH]1 ZINC001507196158 893986357 /nfs/dbraw/zinc/98/63/57/893986357.db2.gz ZJABSXSWKQQLOK-QMMMGPOBSA-N 0 3 259.285 -1.308 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001507199531 893992234 /nfs/dbraw/zinc/99/22/34/893992234.db2.gz DLZKYCXSBSDKCE-NXEZZACHSA-N 0 3 273.333 -1.632 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](CO)NCCOC ZINC001507201323 893993237 /nfs/dbraw/zinc/99/32/37/893993237.db2.gz HJABRTFILQIDDU-QMMMGPOBSA-N 0 3 262.310 -2.372 20 0 CAADHN CS(=O)(=O)CCC(=O)NC[C@@H](CO)NCCO ZINC001507201912 893993699 /nfs/dbraw/zinc/99/36/99/893993699.db2.gz MEHFPLVQYYUHMU-QMMMGPOBSA-N 0 3 268.335 -2.520 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001507207815 893995232 /nfs/dbraw/zinc/99/52/32/893995232.db2.gz FCNCMSACSHTPJC-VHSXEESVSA-N 0 3 273.333 -1.774 20 0 CAADHN O=C(NCC(F)F)C(=O)NC[C@@H](CO)NCCO ZINC001507212329 893995825 /nfs/dbraw/zinc/99/58/25/893995825.db2.gz SZCZFZFFDGLZEV-LURJTMIESA-N 0 3 269.248 -2.573 20 0 CAADHN C[C@H](O)CN[C@@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001507211337 893996083 /nfs/dbraw/zinc/99/60/83/893996083.db2.gz KOCNXRAZHSEMSP-NKWVEPMBSA-N 0 3 283.275 -2.185 20 0 CAADHN C[C@@H](O)CN[C@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001507211339 893996439 /nfs/dbraw/zinc/99/64/39/893996439.db2.gz KOCNXRAZHSEMSP-RQJHMYQMSA-N 0 3 283.275 -2.185 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001507207813 893997582 /nfs/dbraw/zinc/99/75/82/893997582.db2.gz FCNCMSACSHTPJC-NXEZZACHSA-N 0 3 273.333 -1.774 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N(C)C ZINC001507226694 894005377 /nfs/dbraw/zinc/00/53/77/894005377.db2.gz SZBXLDADGNLQRF-QMMMGPOBSA-N 0 3 284.320 -2.118 20 0 CAADHN CC(C)OCCN[C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001507227836 894006153 /nfs/dbraw/zinc/00/61/53/894006153.db2.gz AFFXFQYABQZUGZ-NXEZZACHSA-N 0 3 288.348 -1.841 20 0 CAADHN C[C@]1(C(=O)NC[C@H](CO)NCCO)CCCS1(=O)=O ZINC001507246655 894021919 /nfs/dbraw/zinc/02/19/19/894021919.db2.gz PEZDWTIKVWBUEE-MWLCHTKSSA-N 0 3 294.373 -1.987 20 0 CAADHN COC[C@H](C)N[C@@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001507249037 894021968 /nfs/dbraw/zinc/02/19/68/894021968.db2.gz MTZVFUBADLEPRB-GXSJLCMTSA-N 0 3 287.360 -1.386 20 0 CAADHN COC[C@@H](C)N[C@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001507249039 894022494 /nfs/dbraw/zinc/02/24/94/894022494.db2.gz MTZVFUBADLEPRB-KOLCDFICSA-N 0 3 287.360 -1.386 20 0 CAADHN O=C(Cc1nc[nH]n1)NC[C@H](CO)N[C@H]1CCCNC1=O ZINC001507254333 894026638 /nfs/dbraw/zinc/02/66/38/894026638.db2.gz HYMBNMXKJMDWJA-BDAKNGLRSA-N 0 3 296.331 -2.308 20 0 CAADHN C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](CO)NCCO ZINC001507265710 894031466 /nfs/dbraw/zinc/03/14/66/894031466.db2.gz SWIGTXFQSAEZLK-RKDXNWHRSA-N 0 3 282.362 -2.274 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C ZINC001507274877 894031959 /nfs/dbraw/zinc/03/19/59/894031959.db2.gz UUCFRRMHPQIYMM-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN O=C(CN1CCCC1)NC[C@H](CO)N[C@@H]1CCNC1=O ZINC001507262751 894032026 /nfs/dbraw/zinc/03/20/26/894032026.db2.gz ZSFQOBFUDMIBRN-GHMZBOCLSA-N 0 3 284.360 -1.963 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001507270616 894032293 /nfs/dbraw/zinc/03/22/93/894032293.db2.gz NAPFTERVWHVRJQ-VXNVDRBHSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN(C)C(C)=O)[C@@H]1C ZINC001507274879 894032410 /nfs/dbraw/zinc/03/24/10/894032410.db2.gz UUCFRRMHPQIYMM-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NCc1ncnn1C ZINC001507265072 894032682 /nfs/dbraw/zinc/03/26/82/894032682.db2.gz OSOQYZJAYCIJNB-NSHDSACASA-N 0 3 298.391 -1.278 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NCc1ncnn1C ZINC001507265071 894032783 /nfs/dbraw/zinc/03/27/83/894032783.db2.gz OSOQYZJAYCIJNB-LLVKDONJSA-N 0 3 298.391 -1.278 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1nccnc1C(N)=O ZINC001507262381 894033505 /nfs/dbraw/zinc/03/35/05/894033505.db2.gz YRVZSNCFKFXZTN-QMMMGPOBSA-N 0 3 297.315 -2.098 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(C)=O)[C@@H]1C ZINC001507274720 894034565 /nfs/dbraw/zinc/03/45/65/894034565.db2.gz ZBZVCJOCFRPQTN-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001507263178 894034737 /nfs/dbraw/zinc/03/47/37/894034737.db2.gz RBBGOWZKUTZEBV-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NCc1nnn(C)n1 ZINC001507265556 894035708 /nfs/dbraw/zinc/03/57/08/894035708.db2.gz RYJPPIVUMUJYKZ-SNVBAGLBSA-N 0 3 299.379 -1.883 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN(C)C(C)=O)[C@@H]1C ZINC001507274886 894035747 /nfs/dbraw/zinc/03/57/47/894035747.db2.gz UUCFRRMHPQIYMM-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN O=C(CN1CCCC1)NC[C@@H](CO)N[C@H]1CCNC1=O ZINC001507262756 894036589 /nfs/dbraw/zinc/03/65/89/894036589.db2.gz ZSFQOBFUDMIBRN-QWRGUYRKSA-N 0 3 284.360 -1.963 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2ncn(C)n2)C1 ZINC001507312357 894037870 /nfs/dbraw/zinc/03/78/70/894037870.db2.gz DLTAXQAGEGMMOX-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001507284119 894038382 /nfs/dbraw/zinc/03/83/82/894038382.db2.gz PDDJPWFELTXTCY-HTQZYQBOSA-N 0 3 271.321 -2.020 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001507284120 894039523 /nfs/dbraw/zinc/03/95/23/894039523.db2.gz PDDJPWFELTXTCY-JGVFFNPUSA-N 0 3 271.321 -2.020 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2ncn(C)n2)[C@@H]1C ZINC001507277992 894039647 /nfs/dbraw/zinc/03/96/47/894039647.db2.gz KPGWKTGILYKUEY-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCNC(N)=O ZINC001507295023 894040082 /nfs/dbraw/zinc/04/00/82/894040082.db2.gz KKFKKRCYBSOFAB-JGVFFNPUSA-N 0 3 271.321 -1.891 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCNC(N)=O ZINC001507295019 894040121 /nfs/dbraw/zinc/04/01/21/894040121.db2.gz KKFKKRCYBSOFAB-HTQZYQBOSA-N 0 3 271.321 -1.891 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCn2cnnn2)[C@@H]1C ZINC001507291249 894040389 /nfs/dbraw/zinc/04/03/89/894040389.db2.gz ZEAKKFWUCZXSMQ-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H](NCC(=O)N(C)C)C[C@H]1C ZINC001507314629 894040686 /nfs/dbraw/zinc/04/06/86/894040686.db2.gz QGBZJTDBHAEGEI-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cc[nH]n1)C(N)=O ZINC001507464880 894042419 /nfs/dbraw/zinc/04/24/19/894042419.db2.gz DRMCAFMMRLAFMN-HTQZYQBOSA-N 0 3 269.305 -1.694 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC1(C)C ZINC001507441596 894042180 /nfs/dbraw/zinc/04/21/80/894042180.db2.gz ACAYTPJCXUWEGH-SECBINFHSA-N 0 3 296.371 -1.176 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(=O)NC ZINC001507462489 894042732 /nfs/dbraw/zinc/04/27/32/894042732.db2.gz WNLLKGYBKMLLDC-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001507463660 894042815 /nfs/dbraw/zinc/04/28/15/894042815.db2.gz JLBMTINJKLAXKD-RKDXNWHRSA-N 0 3 297.319 -3.030 20 0 CAADHN CCCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001507462641 894043195 /nfs/dbraw/zinc/04/31/95/894043195.db2.gz QUMFJDDNQWKDRK-BDAKNGLRSA-N 0 3 288.348 -1.221 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC1(C)C ZINC001507441598 894043425 /nfs/dbraw/zinc/04/34/25/894043425.db2.gz ACAYTPJCXUWEGH-VIFPVBQESA-N 0 3 296.371 -1.176 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001507463657 894043468 /nfs/dbraw/zinc/04/34/68/894043468.db2.gz JLBMTINJKLAXKD-BDAKNGLRSA-N 0 3 297.319 -3.030 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cnn(C)c1 ZINC001507463511 894043710 /nfs/dbraw/zinc/04/37/10/894043710.db2.gz GZUWRJOKGZMSJJ-SECBINFHSA-N 0 3 269.305 -2.072 20 0 CAADHN CC[C@H](F)CNC[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001507464457 894043748 /nfs/dbraw/zinc/04/37/48/894043748.db2.gz ZDIMSZAJHADYDF-VHSXEESVSA-N 0 3 288.327 -1.170 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001507461868 894044224 /nfs/dbraw/zinc/04/42/24/894044224.db2.gz RVKWPBJBTCZICG-VXNVDRBHSA-N 0 3 274.321 -2.595 20 0 CAADHN CC(=O)N(C)C[C@H](O)CNCC(=O)NC1CCOCC1 ZINC001507458646 894044038 /nfs/dbraw/zinc/04/40/38/894044038.db2.gz VDNAPZHXIBRUIL-GFCCVEGCSA-N 0 3 287.360 -1.290 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001507463659 894044560 /nfs/dbraw/zinc/04/45/60/894044560.db2.gz JLBMTINJKLAXKD-IUCAKERBSA-N 0 3 297.319 -3.030 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cnn(C)c1 ZINC001507463512 894045245 /nfs/dbraw/zinc/04/52/45/894045245.db2.gz GZUWRJOKGZMSJJ-VIFPVBQESA-N 0 3 269.305 -2.072 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C)C(=O)N(C)C ZINC001507443316 894045339 /nfs/dbraw/zinc/04/53/39/894045339.db2.gz OHAGZCPKZPOURE-DTWKUNHWSA-N 0 3 284.360 -1.225 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CNCC(=O)NC1CCOCC1 ZINC001507458647 894045714 /nfs/dbraw/zinc/04/57/14/894045714.db2.gz VDNAPZHXIBRUIL-LBPRGKRZSA-N 0 3 287.360 -1.290 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1cc[nH]n1 ZINC001507465270 894046392 /nfs/dbraw/zinc/04/63/92/894046392.db2.gz IUESCZRWBITUAF-UWVGGRQHSA-N 0 3 295.343 -1.337 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCCNC1=O)C(=O)c1ccon1 ZINC001507465417 894046505 /nfs/dbraw/zinc/04/65/05/894046505.db2.gz JPZLYDDFFPYAJV-NXEZZACHSA-N 0 3 296.327 -1.024 20 0 CAADHN CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001507464554 894046571 /nfs/dbraw/zinc/04/65/71/894046571.db2.gz ATXOEEAZSYSQBB-DTWKUNHWSA-N 0 3 261.322 -1.694 20 0 CAADHN CCCC(=O)N(C)C[C@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001507462644 894046604 /nfs/dbraw/zinc/04/66/04/894046604.db2.gz QUMFJDDNQWKDRK-RKDXNWHRSA-N 0 3 288.348 -1.221 20 0 CAADHN CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507464553 894046676 /nfs/dbraw/zinc/04/66/76/894046676.db2.gz ATXOEEAZSYSQBB-BDAKNGLRSA-N 0 3 261.322 -1.694 20 0 CAADHN Cc1c(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)cnn1C ZINC001507466881 894047489 /nfs/dbraw/zinc/04/74/89/894047489.db2.gz RQOVKQJLDXRQHO-WCBMZHEXSA-N 0 3 297.359 -1.375 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CNC(=O)OC ZINC001507467832 894047822 /nfs/dbraw/zinc/04/78/22/894047822.db2.gz ZTPKMIIUGVHCJV-QMMMGPOBSA-N 0 3 290.320 -2.503 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cnns1 ZINC001507466099 894048604 /nfs/dbraw/zinc/04/86/04/894048604.db2.gz NTJASPJSNDGOQT-LURJTMIESA-N 0 3 273.318 -1.954 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cnns1 ZINC001507466100 894048807 /nfs/dbraw/zinc/04/88/07/894048807.db2.gz NTJASPJSNDGOQT-ZCFIWIBFSA-N 0 3 273.318 -1.954 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)c[nH]1 ZINC001507469583 894049247 /nfs/dbraw/zinc/04/92/47/894049247.db2.gz BDVWJJGMOURPIL-APPZFPTMSA-N 0 3 283.332 -1.386 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001507468261 894049548 /nfs/dbraw/zinc/04/95/48/894049548.db2.gz RYUBTTIYHOKIAO-QWRGUYRKSA-N 0 3 287.360 -1.480 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cocn1 ZINC001507469737 894049580 /nfs/dbraw/zinc/04/95/80/894049580.db2.gz BPLKIRASTREUKT-DTWKUNHWSA-N 0 3 284.316 -1.168 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@@H]1COCCO1 ZINC001507466463 894049616 /nfs/dbraw/zinc/04/96/16/894049616.db2.gz PIEXRXKHKONEAS-UWVGGRQHSA-N 0 3 264.297 -1.220 20 0 CAADHN CN(C[C@H](O)CNCc1ccccn1)C(=O)CC(N)=O ZINC001507469393 894049798 /nfs/dbraw/zinc/04/97/98/894049798.db2.gz LZBQCQZVYXBEAV-LLVKDONJSA-N 0 3 280.328 -1.134 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)CCn1cccn1)C(N)=O ZINC001507466538 894050006 /nfs/dbraw/zinc/05/00/06/894050006.db2.gz PJIYWVDJBDBDMF-QWRGUYRKSA-N 0 3 297.359 -1.444 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)c[nH]1 ZINC001507469589 894051274 /nfs/dbraw/zinc/05/12/74/894051274.db2.gz BDVWJJGMOURPIL-VXNVDRBHSA-N 0 3 283.332 -1.386 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001507468259 894051524 /nfs/dbraw/zinc/05/15/24/894051524.db2.gz RYUBTTIYHOKIAO-GHMZBOCLSA-N 0 3 287.360 -1.480 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCCNC1=O)C(=O)c1ccon1 ZINC001507465418 894051778 /nfs/dbraw/zinc/05/17/78/894051778.db2.gz JPZLYDDFFPYAJV-UWVGGRQHSA-N 0 3 296.327 -1.024 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cncc(F)c1 ZINC001507473163 894052803 /nfs/dbraw/zinc/05/28/03/894052803.db2.gz CAQHKFJGJDCRIR-SNVBAGLBSA-N 0 3 284.291 -1.272 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001507483534 894053152 /nfs/dbraw/zinc/05/31/52/894053152.db2.gz MENVJEXCZVXSQK-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN CCn1nccc1C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001507475525 894053371 /nfs/dbraw/zinc/05/33/71/894053371.db2.gz ORGAPQZRGKGTOW-JTQLQIEISA-N 0 3 297.359 -1.329 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cccnc1 ZINC001507473277 894053596 /nfs/dbraw/zinc/05/35/96/894053596.db2.gz HMLHLMPONZZRCE-GFCCVEGCSA-N 0 3 294.355 -1.221 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)CN(C)S(C)(=O)=O ZINC001507483646 894053849 /nfs/dbraw/zinc/05/38/49/894053849.db2.gz ODKNUVUZPNRAEN-VIFPVBQESA-N 0 3 299.368 -1.744 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C1CC(F)(F)C1 ZINC001507475991 894053925 /nfs/dbraw/zinc/05/39/25/894053925.db2.gz VHMDCETZFRFHEQ-MRVPVSSYSA-N 0 3 279.287 -1.074 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CC1(C)C ZINC001507473913 894054046 /nfs/dbraw/zinc/05/40/46/894054046.db2.gz NKILTBHROWZKIF-IUCAKERBSA-N 0 3 257.334 -1.073 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001507476280 894054634 /nfs/dbraw/zinc/05/46/34/894054634.db2.gz XMZZRZJEYXOKRF-PSASIEDQSA-N 0 3 296.327 -1.317 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001507478763 894055635 /nfs/dbraw/zinc/05/56/35/894055635.db2.gz IDZTUQYGZBZEBC-JTQLQIEISA-N 0 3 297.359 -1.171 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001507485082 894055810 /nfs/dbraw/zinc/05/58/10/894055810.db2.gz PWRHDCUJCSMPJF-QMMMGPOBSA-N 0 3 297.315 -2.712 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CC1(C)C ZINC001507473916 894056025 /nfs/dbraw/zinc/05/60/25/894056025.db2.gz NKILTBHROWZKIF-RKDXNWHRSA-N 0 3 257.334 -1.073 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001507495597 894056523 /nfs/dbraw/zinc/05/65/23/894056523.db2.gz LGCPDLMSSYGULZ-IUCAKERBSA-N 0 3 296.331 -1.976 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001507495598 894056632 /nfs/dbraw/zinc/05/66/32/894056632.db2.gz LGCPDLMSSYGULZ-RKDXNWHRSA-N 0 3 296.331 -1.976 20 0 CAADHN COCC1(C(=O)N(C)C[C@@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001507492745 894057156 /nfs/dbraw/zinc/05/71/56/894057156.db2.gz DEPWNJLGGPORBL-WDEREUQCSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(F)c[nH]1 ZINC001507493339 894057265 /nfs/dbraw/zinc/05/72/65/894057265.db2.gz HQNXTOYVPKOFAP-SECBINFHSA-N 0 3 286.307 -1.078 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001507498282 894057689 /nfs/dbraw/zinc/05/76/89/894057689.db2.gz CGPNYVWQTIUODY-UXCLJVHYSA-N 0 3 285.344 -1.966 20 0 CAADHN CCc1n[nH]cc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001507489903 894057865 /nfs/dbraw/zinc/05/78/65/894057865.db2.gz JBBNZHUNFUKCHF-MRVPVSSYSA-N 0 3 283.332 -1.520 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001507494997 894058234 /nfs/dbraw/zinc/05/82/34/894058234.db2.gz GLXKEEQVHQWYJU-RKDXNWHRSA-N 0 3 276.312 -1.612 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)CN1CCCNC1=O ZINC001507489539 894058618 /nfs/dbraw/zinc/05/86/18/894058618.db2.gz AGUFSOTXVPOYQA-JTQLQIEISA-N 0 3 290.339 -1.220 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001507494990 894059433 /nfs/dbraw/zinc/05/94/33/894059433.db2.gz GLXKEEQVHQWYJU-BDAKNGLRSA-N 0 3 276.312 -1.612 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001507492864 894059474 /nfs/dbraw/zinc/05/94/74/894059474.db2.gz QGBQRRFYSUCEHS-SRRSOLGSSA-N 0 3 299.371 -1.304 20 0 CAADHN CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507486134 894059749 /nfs/dbraw/zinc/05/97/49/894059749.db2.gz NHUKHPFPRIEOTE-SCVCMEIPSA-N 0 3 287.360 -1.304 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1c[nH]c(=O)n1C ZINC001507494870 894060072 /nfs/dbraw/zinc/06/00/72/894060072.db2.gz FDTXXEFBQFKOHD-ZETCQYMHSA-N 0 3 285.304 -2.367 20 0 CAADHN Cc1nonc1CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001507513360 894060673 /nfs/dbraw/zinc/06/06/73/894060673.db2.gz WNGFGUHBBTZVAZ-MRVPVSSYSA-N 0 3 285.304 -2.185 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cccnn1 ZINC001507514562 894060738 /nfs/dbraw/zinc/06/07/38/894060738.db2.gz HCWOMLOPHNLPEJ-QMMMGPOBSA-N 0 3 267.289 -2.016 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001507502769 894061458 /nfs/dbraw/zinc/06/14/58/894061458.db2.gz ODNJOJYEJKPUBB-MRVPVSSYSA-N 0 3 299.331 -2.106 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC12CC2 ZINC001507506408 894062228 /nfs/dbraw/zinc/06/22/28/894062228.db2.gz FBQZHYCUKAHNOH-UWVGGRQHSA-N 0 3 269.345 -1.059 20 0 CAADHN Cc1cnoc1C(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001507511142 894062456 /nfs/dbraw/zinc/06/24/56/894062456.db2.gz JHCDWWIBVZMRRT-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN CCN(CC)C(=O)CNC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001507502030 894062494 /nfs/dbraw/zinc/06/24/94/894062494.db2.gz DQOVRCXLILRXNC-SECBINFHSA-N 0 3 288.348 -2.251 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC12CC2 ZINC001507506409 894062578 /nfs/dbraw/zinc/06/25/78/894062578.db2.gz FBQZHYCUKAHNOH-VHSXEESVSA-N 0 3 269.345 -1.059 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001507512301 894062761 /nfs/dbraw/zinc/06/27/61/894062761.db2.gz VKKNONICCYSJPU-YUMQZZPRSA-N 0 3 284.320 -2.038 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001507500021 894062815 /nfs/dbraw/zinc/06/28/15/894062815.db2.gz UYKMXHSSQFWXRH-NSHDSACASA-N 0 3 298.343 -1.238 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cnn(C)n1 ZINC001507513123 894062933 /nfs/dbraw/zinc/06/29/33/894062933.db2.gz ZQSMUSSHNVIDMI-ZETCQYMHSA-N 0 3 270.293 -2.677 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001507512297 894063014 /nfs/dbraw/zinc/06/30/14/894063014.db2.gz VKKNONICCYSJPU-JGVFFNPUSA-N 0 3 284.320 -2.038 20 0 CAADHN CN(C[C@H](O)CNCc1ccccn1)C(=O)C(N)=O ZINC001507502950 894063157 /nfs/dbraw/zinc/06/31/57/894063157.db2.gz RRFKUARAROPXCD-SNVBAGLBSA-N 0 3 266.301 -1.524 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001507512299 894064061 /nfs/dbraw/zinc/06/40/61/894064061.db2.gz VKKNONICCYSJPU-SFYZADRCSA-N 0 3 284.320 -2.038 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n1C ZINC001507499649 894064131 /nfs/dbraw/zinc/06/41/31/894064131.db2.gz MGUFVBXTJLWAMJ-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCCNC1=O)C(=O)C(N)=O ZINC001507501839 894064301 /nfs/dbraw/zinc/06/43/01/894064301.db2.gz CRIWPEZRQLSUCN-JGVFFNPUSA-N 0 3 272.305 -2.841 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001507518512 894065167 /nfs/dbraw/zinc/06/51/67/894065167.db2.gz ZNACTSZXTLRBMY-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001507584796 894065253 /nfs/dbraw/zinc/06/52/53/894065253.db2.gz AAPHFURCQAWWNS-JQWIXIFHSA-N 0 3 289.376 -1.092 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccnc(C)n1 ZINC001507562521 894065809 /nfs/dbraw/zinc/06/58/09/894065809.db2.gz LLWYZGYXHNQAMM-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001507597537 894066436 /nfs/dbraw/zinc/06/64/36/894066436.db2.gz PEYCKIMNERIVLZ-NSHDSACASA-N 0 3 287.360 -1.744 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001507564380 894067332 /nfs/dbraw/zinc/06/73/32/894067332.db2.gz ZNKVZJQQTDXTFG-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001507564379 894067805 /nfs/dbraw/zinc/06/78/05/894067805.db2.gz ZNKVZJQQTDXTFG-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1[nH]cnc1C ZINC001507549559 894067853 /nfs/dbraw/zinc/06/78/53/894067853.db2.gz ZHGRUIDYGCFAQH-SNVBAGLBSA-N 0 3 297.359 -1.584 20 0 CAADHN Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001507547227 894068387 /nfs/dbraw/zinc/06/83/87/894068387.db2.gz LKBCEVSFKQYNGN-NXEZZACHSA-N 0 3 297.359 -1.457 20 0 CAADHN Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001507547228 894068732 /nfs/dbraw/zinc/06/87/32/894068732.db2.gz LKBCEVSFKQYNGN-UWVGGRQHSA-N 0 3 297.359 -1.457 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507577269 894068964 /nfs/dbraw/zinc/06/89/64/894068964.db2.gz QJGKAVIPSGIVQL-QMMMGPOBSA-N 0 3 269.305 -1.774 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001507552327 894070159 /nfs/dbraw/zinc/07/01/59/894070159.db2.gz GMUIWJLZEHHJGS-JTQLQIEISA-N 0 3 298.347 -2.225 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001507624236 894074992 /nfs/dbraw/zinc/07/49/92/894074992.db2.gz FQVYEBHMOYRCKK-JTQLQIEISA-N 0 3 285.348 -1.174 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001507684015 894075618 /nfs/dbraw/zinc/07/56/18/894075618.db2.gz KSEGCALZYBRURD-MNOVXSKESA-N 0 3 287.360 -1.792 20 0 CAADHN CC(C)(C)[C@@H](CN[C@H]1CCNC1=O)NC(=O)CC(N)=O ZINC001507907723 894077928 /nfs/dbraw/zinc/07/79/28/894077928.db2.gz SFFBYWBOOPAVJK-DTWKUNHWSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(C)N(CCN(C)CCO)C(=O)Cn1cnnn1 ZINC001507757875 894078103 /nfs/dbraw/zinc/07/81/03/894078103.db2.gz LSRTWMXOWGVLJW-UHFFFAOYSA-N 0 3 270.337 -1.166 20 0 CAADHN CC(C)(C)[C@H](CNCC(=O)NC1CC1)NC(=O)C(N)=O ZINC001508015977 894078172 /nfs/dbraw/zinc/07/81/72/894078172.db2.gz JAYYQYWVCXSXMP-VIFPVBQESA-N 0 3 284.360 -1.129 20 0 CAADHN CC(C)N(CCN(C)CCO)C(=O)[C@H]1CNC(=O)N1 ZINC001507831253 894078244 /nfs/dbraw/zinc/07/82/44/894078244.db2.gz HMJHZWWKNCCKNP-SNVBAGLBSA-N 0 3 272.349 -1.171 20 0 CAADHN CC(C)(C)[C@H](CN[C@H]1CCNC1=O)NC(=O)CC(N)=O ZINC001507907725 894078493 /nfs/dbraw/zinc/07/84/93/894078493.db2.gz SFFBYWBOOPAVJK-IUCAKERBSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001508022067 894078585 /nfs/dbraw/zinc/07/85/85/894078585.db2.gz IIVWLGIIYFXYGC-VGMNWLOBSA-N 0 3 284.360 -1.286 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)CC(N)=O ZINC001507907615 894079038 /nfs/dbraw/zinc/07/90/38/894079038.db2.gz RKOKRWVQLCLXDI-ZETCQYMHSA-N 0 3 258.322 -1.532 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@@H](O)CN(C)CCO)nn1 ZINC001507716794 894080108 /nfs/dbraw/zinc/08/01/08/894080108.db2.gz ZHZZOUNXSOIVSJ-JTQLQIEISA-N 0 3 285.348 -1.345 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](NC(=O)C(N)=O)C(C)(C)C ZINC001508015687 894080127 /nfs/dbraw/zinc/08/01/27/894080127.db2.gz CTBXJQCQEAEMQJ-JGVFFNPUSA-N 0 3 272.349 -1.273 20 0 CAADHN CN(C(=O)CCS(C)(=O)=O)C1CC(NCC(N)=O)C1 ZINC001508120555 894080227 /nfs/dbraw/zinc/08/02/27/894080227.db2.gz YHMKPTNAFTVASW-UHFFFAOYSA-N 0 3 291.373 -1.515 20 0 CAADHN CC(C)N(CCN(C)CCO)C(=O)Cn1ncn(C)c1=O ZINC001507813104 894083056 /nfs/dbraw/zinc/08/30/56/894083056.db2.gz LUZYHJLMUBQDCJ-UHFFFAOYSA-N 0 3 299.375 -1.257 20 0 CAADHN CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)c1nc[n-]n1 ZINC001507707385 894083476 /nfs/dbraw/zinc/08/34/76/894083476.db2.gz NZHUADQCZYZSOU-QMMMGPOBSA-N 0 3 257.294 -1.838 20 0 CAADHN CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1nc[n-]n1 ZINC001507707385 894083494 /nfs/dbraw/zinc/08/34/94/894083494.db2.gz NZHUADQCZYZSOU-QMMMGPOBSA-N 0 3 257.294 -1.838 20 0 CAADHN CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)c1nc[n-]n1 ZINC001508179456 894084139 /nfs/dbraw/zinc/08/41/39/894084139.db2.gz KVVDYGMTVPLCDR-VIFPVBQESA-N 0 3 296.331 -1.629 20 0 CAADHN CN(CCOCCN[C@@H]1CCNC1=O)C(=O)c1cn[nH]c1 ZINC001508173082 894084188 /nfs/dbraw/zinc/08/41/88/894084188.db2.gz DHIZNAPWLIPKIW-LLVKDONJSA-N 0 3 295.343 -1.024 20 0 CAADHN COCC(=O)N(C)CC(=O)NCC1=CCN(CCO)CC1 ZINC001508206608 894084442 /nfs/dbraw/zinc/08/44/42/894084442.db2.gz IQOARBXNEFXSFP-UHFFFAOYSA-N 0 3 299.371 -1.168 20 0 CAADHN CCC(=O)N(C)CCOCCNCC(=O)NC(N)=O ZINC001508162055 894087156 /nfs/dbraw/zinc/08/71/56/894087156.db2.gz INONVJICIWCIEZ-UHFFFAOYSA-N 0 3 274.321 -1.344 20 0 CAADHN CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)c1nc[n-]n1 ZINC001508179450 894087559 /nfs/dbraw/zinc/08/75/59/894087559.db2.gz KVVDYGMTVPLCDR-SECBINFHSA-N 0 3 296.331 -1.629 20 0 CAADHN CCCN(C)CC(=O)N(C)[C@H](C)CNC(=O)C(N)=O ZINC001509055002 894095442 /nfs/dbraw/zinc/09/54/42/894095442.db2.gz LNRDQAPPZGPMML-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CC(C)N(C)CC(=O)N(C)[C@H](C)CNC(=O)C(N)=O ZINC001509058373 894095603 /nfs/dbraw/zinc/09/56/03/894095603.db2.gz WRANFPJMESNBMK-SECBINFHSA-N 0 3 272.349 -1.225 20 0 CAADHN CCCN(C)CC(=O)N(C)[C@@H](C)CNC(=O)C(N)=O ZINC001509055003 894096295 /nfs/dbraw/zinc/09/62/95/894096295.db2.gz LNRDQAPPZGPMML-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001509058951 894097987 /nfs/dbraw/zinc/09/79/87/894097987.db2.gz YUKHCPWAQHMYEC-BDAKNGLRSA-N 0 3 270.333 -1.471 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001509696753 894105382 /nfs/dbraw/zinc/10/53/82/894105382.db2.gz DTCAKPZOYSXUOH-RTCCRHLQSA-N 0 3 296.371 -1.366 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001510862314 894125980 /nfs/dbraw/zinc/12/59/80/894125980.db2.gz VHZXSYKPPPSQFC-LLVKDONJSA-N 0 3 297.359 -1.042 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](CO)NC(=O)c1ccn[nH]1 ZINC001510942344 894137861 /nfs/dbraw/zinc/13/78/61/894137861.db2.gz WSUFDAVTFLJZAZ-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H]1C ZINC001511192462 894151586 /nfs/dbraw/zinc/15/15/86/894151586.db2.gz OYVTZKCAEJFQTR-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H]1C ZINC001511192461 894152061 /nfs/dbraw/zinc/15/20/61/894152061.db2.gz OYVTZKCAEJFQTR-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)C(N)=O)C1 ZINC001514929646 894185306 /nfs/dbraw/zinc/18/53/06/894185306.db2.gz QNULONGUZUIQEG-MXWKQRLJSA-N 0 3 296.371 -1.033 20 0 CAADHN CN(C)CCN1CCN(c2ncnc(N)n2)CC1=O ZINC001515851347 894188788 /nfs/dbraw/zinc/18/87/88/894188788.db2.gz JZCGQROMOZIINZ-UHFFFAOYSA-N 0 3 265.321 -1.336 20 0 CAADHN CN1CCN(CCCCNC(=O)Cn2ncnn2)CC1 ZINC001518911771 894191372 /nfs/dbraw/zinc/19/13/72/894191372.db2.gz MMNLCCXJCZFQPF-UHFFFAOYSA-N 0 3 281.364 -1.183 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001520902316 894198131 /nfs/dbraw/zinc/19/81/31/894198131.db2.gz ABMBUNYJPALHRV-VHSXEESVSA-N 0 3 266.305 -1.348 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCc1nnnn1C1CC1 ZINC001521385428 894206245 /nfs/dbraw/zinc/20/62/45/894206245.db2.gz IRHJXTCDXPNWOL-VIFPVBQESA-N 0 3 265.321 -1.472 20 0 CAADHN CCc1nncn1CCNC(=O)[C@H]1CNCCN1C ZINC001521489794 894209558 /nfs/dbraw/zinc/20/95/58/894209558.db2.gz PJBQZJZHXVXZFV-SNVBAGLBSA-N 0 3 266.349 -1.140 20 0 CAADHN Cn1ncc(N)c1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001521973953 894211129 /nfs/dbraw/zinc/21/11/29/894211129.db2.gz MEKKZUJLIFVHDA-SSDOTTSWSA-N 0 3 251.290 -1.137 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@@H](O)c2cnc[nH]2)C1 ZINC001521913677 894211369 /nfs/dbraw/zinc/21/13/69/894211369.db2.gz VBLGPKMQEBGQGM-NXEZZACHSA-N 0 3 254.290 -1.110 20 0 CAADHN Cn1ncc(N)c1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001521973956 894211544 /nfs/dbraw/zinc/21/15/44/894211544.db2.gz MEKKZUJLIFVHDA-ZETCQYMHSA-N 0 3 251.290 -1.137 20 0 CAADHN CN1C[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)NCC1=O ZINC001522061541 894212023 /nfs/dbraw/zinc/21/20/23/894212023.db2.gz WLVBTKJTKFMTGK-HLTSFMKQSA-N 0 3 258.297 -1.686 20 0 CAADHN O=C(NCC1CC1)C(=O)N[C@H]1COC2(CNC2)C1 ZINC001521971918 894212240 /nfs/dbraw/zinc/21/22/40/894212240.db2.gz FLCADHGOLAZPDP-SECBINFHSA-N 0 3 253.302 -1.240 20 0 CAADHN C[C@]1(C(=O)N[C@@H]2COC3(CNC3)C2)CCNC1=O ZINC001521820758 894212505 /nfs/dbraw/zinc/21/25/05/894212505.db2.gz PNMYKUKEVDJIEL-KWQFWETISA-N 0 3 253.302 -1.240 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@@H](O)c2cnc[nH]2)C1 ZINC001521913683 894213603 /nfs/dbraw/zinc/21/36/03/894213603.db2.gz VBLGPKMQEBGQGM-ZJUUUORDSA-N 0 3 254.290 -1.110 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@H](O)c2cnc[nH]2)C1 ZINC001521913679 894214379 /nfs/dbraw/zinc/21/43/79/894214379.db2.gz VBLGPKMQEBGQGM-UWVGGRQHSA-N 0 3 254.290 -1.110 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N[C@H]1COC2(CNC2)C1 ZINC001521976040 894214418 /nfs/dbraw/zinc/21/44/18/894214418.db2.gz VDFLZBBCTKZFBD-BDAKNGLRSA-N 0 3 253.302 -1.146 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H]2COC3(CNC3)C2)CC1 ZINC001521974041 894214535 /nfs/dbraw/zinc/21/45/35/894214535.db2.gz MTQVDYDXMXFLIY-QMMMGPOBSA-N 0 3 253.302 -1.240 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1CCCn2nncc2C1 ZINC001522484747 894220648 /nfs/dbraw/zinc/22/06/48/894220648.db2.gz ZPYWDSQNAXNLHJ-LLVKDONJSA-N 0 3 264.333 -1.086 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)[C@H]1COCCO1 ZINC001522524505 894228907 /nfs/dbraw/zinc/22/89/07/894228907.db2.gz SKHOGAZJRDJGMG-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)[C@@H]1COCCO1 ZINC001522524507 894229913 /nfs/dbraw/zinc/22/99/13/894229913.db2.gz SKHOGAZJRDJGMG-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CCNC1=O)N(C)C ZINC001522786616 894251546 /nfs/dbraw/zinc/25/15/46/894251546.db2.gz UBNQAGCPSJUQBD-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN(CC)CC(=O)NCCCNC(=O)[C@H]1CNC(=O)N1 ZINC001522918013 894258540 /nfs/dbraw/zinc/25/85/40/894258540.db2.gz NSYCOEUSMZNGFI-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1)N(C)C ZINC001523052999 894261608 /nfs/dbraw/zinc/26/16/08/894261608.db2.gz NNBMKZMRXDGTLH-BDAKNGLRSA-N 0 3 270.333 -1.471 20 0 CAADHN CC[C@@H](C(=O)N[C@H]1CCN(C(=O)C(N)=O)C1)N(C)C ZINC001524243737 894278893 /nfs/dbraw/zinc/27/88/93/894278893.db2.gz NNBMKZMRXDGTLH-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001524652472 894285366 /nfs/dbraw/zinc/28/53/66/894285366.db2.gz WFYQKLZTEUVILQ-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CNC(=O)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001524651142 894285810 /nfs/dbraw/zinc/28/58/10/894285810.db2.gz YESNAHPLNHBQBL-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](C)NC(=O)CNC(N)=O ZINC001526845640 894302607 /nfs/dbraw/zinc/30/26/07/894302607.db2.gz ZVFKTYDAGOBCLJ-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)C(N)=O ZINC001526670740 894302901 /nfs/dbraw/zinc/30/29/01/894302901.db2.gz YUDAOKXAVRIPMP-QMMMGPOBSA-N 0 3 258.322 -1.567 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)C(N)=O ZINC001526670738 894303397 /nfs/dbraw/zinc/30/33/97/894303397.db2.gz YUDAOKXAVRIPMP-MRVPVSSYSA-N 0 3 258.322 -1.567 20 0 CAADHN C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)CC(N)=O ZINC001527005201 894307944 /nfs/dbraw/zinc/30/79/44/894307944.db2.gz SLIQGWRRGZRGKA-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001527107437 894309735 /nfs/dbraw/zinc/30/97/35/894309735.db2.gz AVTXCDHHSGWVTO-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN NC(=O)CC(=O)NC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001527164235 894310349 /nfs/dbraw/zinc/31/03/49/894310349.db2.gz KEVGAPPWVXPPNM-LLVKDONJSA-N 0 3 296.371 -1.078 20 0 CAADHN NC(=O)CC(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001527164236 894310702 /nfs/dbraw/zinc/31/07/02/894310702.db2.gz KEVGAPPWVXPPNM-NSHDSACASA-N 0 3 296.371 -1.078 20 0 CAADHN CC(C)N(C)CC(=O)NCC[C@@H](C)NC(=O)C(N)=O ZINC001527600374 894313214 /nfs/dbraw/zinc/31/32/14/894313214.db2.gz OYKJYSSEPHEUQQ-SECBINFHSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@H](CCNC(=O)C(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001527745798 894313327 /nfs/dbraw/zinc/31/33/27/894313327.db2.gz FYJIUVFGPMTGAZ-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCNC(=O)CCNC(N)=O)C(=O)[C@@H]1CCCN1C ZINC001528114551 894324711 /nfs/dbraw/zinc/32/47/11/894324711.db2.gz IUJAYBROOSQZAT-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001528418696 894326907 /nfs/dbraw/zinc/32/69/07/894326907.db2.gz UAZIFLZGUBQAOC-UWVGGRQHSA-N 0 3 266.305 -1.659 20 0 CAADHN O=C(Cn1ncnn1)N[C@H](CO)CN1CCCC1 ZINC001528416471 894327359 /nfs/dbraw/zinc/32/73/59/894327359.db2.gz FLIDRFIYFBCEOL-VIFPVBQESA-N 0 3 254.294 -1.754 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H](CO)CN1CCCC1 ZINC001528416465 894328583 /nfs/dbraw/zinc/32/85/83/894328583.db2.gz FLIDRFIYFBCEOL-SECBINFHSA-N 0 3 254.294 -1.754 20 0 CAADHN CCN(CC)CC(=O)N(C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001528586170 894331635 /nfs/dbraw/zinc/33/16/35/894331635.db2.gz XGWHEUMUOIDZPW-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN C[C@@H]1CCN(CC(=O)N(C)CCNC(=O)C(N)=O)C1 ZINC001528595241 894336958 /nfs/dbraw/zinc/33/69/58/894336958.db2.gz SSAHYATZMLYGLY-SECBINFHSA-N 0 3 270.333 -1.612 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)Cn2nccn2)C1 ZINC001530494305 894359312 /nfs/dbraw/zinc/35/93/12/894359312.db2.gz LVQSPOVKIRQJRH-UHFFFAOYSA-N 0 3 294.359 -1.055 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC001530571600 894361824 /nfs/dbraw/zinc/36/18/24/894361824.db2.gz DCKBRUIYKLCEAZ-NSHDSACASA-N 0 3 296.371 -1.209 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001530571597 894362452 /nfs/dbraw/zinc/36/24/52/894362452.db2.gz DCKBRUIYKLCEAZ-LLVKDONJSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H]1CC[C@H](C)N1CC(=O)NCC1CN(C(=O)C(N)=O)C1 ZINC001530792138 894369091 /nfs/dbraw/zinc/36/90/91/894369091.db2.gz VNNOHORFMNFVTO-UWVGGRQHSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1CN(C(=O)C(N)=O)C1 ZINC001530792137 894370777 /nfs/dbraw/zinc/37/07/77/894370777.db2.gz VNNOHORFMNFVTO-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCC1CN(C(=O)C(N)=O)C1 ZINC001530792136 894371467 /nfs/dbraw/zinc/37/14/67/894371467.db2.gz VNNOHORFMNFVTO-AOOOYVTPSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCC2CN(C(=O)C(N)=O)C2)C1 ZINC001530907837 894373130 /nfs/dbraw/zinc/37/31/30/894373130.db2.gz MBSOWPXSMQSTJZ-SECBINFHSA-N 0 3 282.344 -1.612 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)N1CC(CNC(=O)C(N)=O)C1 ZINC001530883195 894375022 /nfs/dbraw/zinc/37/50/22/894375022.db2.gz YAOPSKKMDKBJJA-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C(N)=O ZINC001531485599 894381013 /nfs/dbraw/zinc/38/10/13/894381013.db2.gz GIDWECZRMDPFKV-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)CNC(=O)C1(N(C)C)CCC1 ZINC001532267573 894384019 /nfs/dbraw/zinc/38/40/19/894384019.db2.gz RRKVENUZISTLLG-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N(C)CCN(C)C(=O)C(N)=O ZINC001533040321 894391663 /nfs/dbraw/zinc/39/16/63/894391663.db2.gz HCEVDJHGTZKFLQ-SNVBAGLBSA-N 0 3 284.360 -1.127 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](O)CNC(=O)C(N)=O ZINC001533309600 894410389 /nfs/dbraw/zinc/41/03/89/894410389.db2.gz UIZAJWIKPFOGIZ-MRVPVSSYSA-N 0 3 274.321 -2.593 20 0 CAADHN CC1(C)CCN(CC(=O)NC/C=C/CNC(=O)C(N)=O)C1 ZINC001533600671 894416105 /nfs/dbraw/zinc/41/61/05/894416105.db2.gz IKKPURZKTGDSHM-ONEGZZNKSA-N 0 3 296.371 -1.008 20 0 CAADHN CC1(C)CCN(CC(=O)NC/C=C\CNC(=O)C(N)=O)C1 ZINC001533600664 894416858 /nfs/dbraw/zinc/41/68/58/894416858.db2.gz IKKPURZKTGDSHM-ARJAWSKDSA-N 0 3 296.371 -1.008 20 0 CAADHN CN(C)C1(C(=O)N2CC[C@@H]2CNC(=O)C(N)=O)CCC1 ZINC001535008414 894433494 /nfs/dbraw/zinc/43/34/94/894433494.db2.gz SFHCUGIFBRJMQM-SECBINFHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CCN(CCCNC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001539128493 894453258 /nfs/dbraw/zinc/45/32/58/894453258.db2.gz OTILQFLSHSFLSU-SNVBAGLBSA-N 0 3 287.364 -2.231 20 0 CAADHN CN1CCN(CCCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001540430511 894456674 /nfs/dbraw/zinc/45/66/74/894456674.db2.gz MWRUDVTVGYUKAC-MNOVXSKESA-N 0 3 268.361 -1.139 20 0 CAADHN CN1CCN(CCCNC(=O)[C@]2(O)CCOC2)CC1 ZINC001540507169 894457213 /nfs/dbraw/zinc/45/72/13/894457213.db2.gz BGSCCAQLYDZSDS-ZDUSSCGKSA-N 0 3 271.361 -1.109 20 0 CAADHN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@H]1CNCCN1C ZINC001548543525 894485756 /nfs/dbraw/zinc/48/57/56/894485756.db2.gz GTYALTDTIAYJNY-OUAUKWLOSA-N 0 3 289.401 -1.076 20 0 CAADHN COCCN1CCN(C(=O)[C@H]2CNCCN2C)CC1=O ZINC001548561142 894486364 /nfs/dbraw/zinc/48/63/64/894486364.db2.gz RQGZZBNVNYFQNG-LLVKDONJSA-N 0 3 284.360 -1.793 20 0 CAADHN CC(C)NS(=O)(=O)CCNC(=O)[C@H]1CNCCN1C ZINC001548536545 894486458 /nfs/dbraw/zinc/48/64/58/894486458.db2.gz NMWGMNVZBWXBBO-SNVBAGLBSA-N 0 3 292.405 -1.666 20 0 CAADHN CN(CCN1CCOCC1)C(=O)[C@H]1CNCCN1C ZINC001548557467 894486521 /nfs/dbraw/zinc/48/65/21/894486521.db2.gz PHSNXAHFRIVNER-GFCCVEGCSA-N 0 3 270.377 -1.319 20 0 CAADHN CN(C)C(=O)NCCN(C)C(=O)[C@H]1CNCCN1C ZINC001548561090 894486594 /nfs/dbraw/zinc/48/65/94/894486594.db2.gz QLTIAAJISPSKQE-SNVBAGLBSA-N 0 3 271.365 -1.380 20 0 CAADHN Cn1cc(N2CCN(C(=O)[C@@H]3CNCCN3C)CC2)cn1 ZINC001548552643 894486880 /nfs/dbraw/zinc/48/68/80/894486880.db2.gz JKSDXSQOERBSHF-ZDUSSCGKSA-N 0 3 292.387 -1.028 20 0 CAADHN Cn1cnnc1N1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC001548567535 894487062 /nfs/dbraw/zinc/48/70/62/894487062.db2.gz SFRYXEFZNCFAOW-LLVKDONJSA-N 0 3 293.375 -1.633 20 0 CAADHN Cn1cnnc1N1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC001548567536 894487505 /nfs/dbraw/zinc/48/75/05/894487505.db2.gz SFRYXEFZNCFAOW-NSHDSACASA-N 0 3 293.375 -1.633 20 0 CAADHN COCCN1C[C@H](C(=O)N[C@H]2COC3(CNC3)C2)CC1=O ZINC001548569764 894489022 /nfs/dbraw/zinc/48/90/22/894489022.db2.gz JBUDESKMNPOQDJ-GHMZBOCLSA-N 0 3 297.355 -1.272 20 0 CAADHN COCCN1C[C@@H](C(=O)N[C@H]2COC3(CNC3)C2)CC1=O ZINC001548569772 894489055 /nfs/dbraw/zinc/48/90/55/894489055.db2.gz JBUDESKMNPOQDJ-WDEREUQCSA-N 0 3 297.355 -1.272 20 0 CAADHN CN1C[C@@H](C(=O)N2CC3(CNC3)OC(C)(C)C2)NC1=O ZINC001548576148 894489281 /nfs/dbraw/zinc/48/92/81/894489281.db2.gz MFWIUHYFCAYICJ-VIFPVBQESA-N 0 3 282.344 -1.011 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1CCN(c2nccnn2)CC1 ZINC001548573624 894489437 /nfs/dbraw/zinc/48/94/37/894489437.db2.gz KFPVVEVHAZPXQS-LLVKDONJSA-N 0 3 291.359 -1.576 20 0 CAADHN Cn1cnn(CC(=O)N2CC3(CNC3)OC(C)(C)C2)c1=O ZINC001548579038 894490219 /nfs/dbraw/zinc/49/02/19/894490219.db2.gz PHPSWWZWFPPIQT-UHFFFAOYSA-N 0 3 295.343 -1.439 20 0 CAADHN O=C(CN1CSCC1=O)N[C@@H]1COC2(CNC2)C1 ZINC001548569438 894490447 /nfs/dbraw/zinc/49/04/47/894490447.db2.gz NYVKGXPNMLBTEM-QMMMGPOBSA-N 0 3 271.342 -1.234 20 0 CAADHN O=C(N[C@H]1COC2(CNC2)C1)c1ccc2nnnn2c1 ZINC001548569178 894490618 /nfs/dbraw/zinc/49/06/18/894490618.db2.gz NTBTYHLYCQZNAW-SECBINFHSA-N 0 3 274.284 -1.015 20 0 CAADHN CN1C[C@H](C(=O)N2CCC3(CC2)CNCCO3)NC1=O ZINC001548586555 894490694 /nfs/dbraw/zinc/49/06/94/894490694.db2.gz KMGWXZPMFYFDAB-SNVBAGLBSA-N 0 3 282.344 -1.009 20 0 CAADHN CN(C)CCN1CCN(C(=O)N[C@H]2CCOC2=O)CC1=O ZINC001548652214 894495440 /nfs/dbraw/zinc/49/54/40/894495440.db2.gz APZUQFUYGWPXHM-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN C[C@H]1CN2CCN1C[C@@H]2C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001548725141 894497777 /nfs/dbraw/zinc/49/77/77/894497777.db2.gz OLOXLMAJKOLYLA-IACUBPJLSA-N 0 3 294.399 -1.348 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCN1CCC(O)CC1 ZINC001548715823 894498295 /nfs/dbraw/zinc/49/82/95/894498295.db2.gz SQEYOJYOXIXHCP-OCCSQVGLSA-N 0 3 296.415 -1.052 20 0 CAADHN C[C@H]1CN2CCN1C[C@H]2C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001548726880 894499891 /nfs/dbraw/zinc/49/98/91/894499891.db2.gz OLDGGXWSWBTPDH-FQUUOJAGSA-N 0 3 294.399 -1.348 20 0 CAADHN C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCN1CCC(O)CC1 ZINC001548715818 894500056 /nfs/dbraw/zinc/50/00/56/894500056.db2.gz SQEYOJYOXIXHCP-GXTWGEPZSA-N 0 3 296.415 -1.052 20 0 CAADHN C[C@H]1CN2CCN1C[C@H]2C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001548725145 894500233 /nfs/dbraw/zinc/50/02/33/894500233.db2.gz OLOXLMAJKOLYLA-YUTCNCBUSA-N 0 3 294.399 -1.348 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NC[C@]1(CO)COCCN1 ZINC001548733495 894503473 /nfs/dbraw/zinc/50/34/73/894503473.db2.gz HTKJFBMTNKJAGM-BZPMIXESSA-N 0 3 298.387 -2.158 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NC[C@@]1(CO)COCCN1 ZINC001548733498 894504446 /nfs/dbraw/zinc/50/44/46/894504446.db2.gz HTKJFBMTNKJAGM-YRGRVCCFSA-N 0 3 298.387 -2.158 20 0 CAADHN C[C@@H]1OCCN[C@@H]1C(=O)N1CC[C@@H]2OCCN[C@H]2C1 ZINC001549044995 894507106 /nfs/dbraw/zinc/50/71/06/894507106.db2.gz NZNMKWXKZITJQF-BJDJZHNGSA-N 0 3 269.345 -1.047 20 0 CAADHN O=C([C@@H]1COCCN1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC001549045157 894507246 /nfs/dbraw/zinc/50/72/46/894507246.db2.gz ZCPGNAPIFDJCMK-DCAQKATOSA-N 0 3 255.318 -1.436 20 0 CAADHN Cn1ccnc1[C@@H]1CNCCN1C(=O)[C@H]1CNCCO1 ZINC001549043876 894507512 /nfs/dbraw/zinc/50/75/12/894507512.db2.gz REHGZOHOTYUWCU-WDEREUQCSA-N 0 3 279.344 -1.119 20 0 CAADHN COC[C@@H](N)C(=O)N1CCNC[C@H]1c1nccn1C ZINC001549044574 894507547 /nfs/dbraw/zinc/50/75/47/894507547.db2.gz CVXRVQCULKKLQG-ZJUUUORDSA-N 0 3 267.333 -1.133 20 0 CAADHN C[C@@H]1OCCN[C@@H]1C(=O)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC001549044997 894508025 /nfs/dbraw/zinc/50/80/25/894508025.db2.gz NZNMKWXKZITJQF-USZNOCQGSA-N 0 3 269.345 -1.047 20 0 CAADHN O=C([C@@H]1CNCCO1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC001549044831 894508111 /nfs/dbraw/zinc/50/81/11/894508111.db2.gz KWUIFHATNKTRLQ-VWYCJHECSA-N 0 3 255.318 -1.436 20 0 CAADHN C[C@@H]1OCCN[C@@H]1C(=O)N1CC[C@H]2OCCN[C@@H]2C1 ZINC001549044996 894508220 /nfs/dbraw/zinc/50/82/20/894508220.db2.gz NZNMKWXKZITJQF-QCNOEVLYSA-N 0 3 269.345 -1.047 20 0 CAADHN C[C@@H]1OCCN[C@@H]1C(=O)N1CC[C@H]2OCCN[C@H]2C1 ZINC001549044998 894508262 /nfs/dbraw/zinc/50/82/62/894508262.db2.gz NZNMKWXKZITJQF-YFKTTZPYSA-N 0 3 269.345 -1.047 20 0 CAADHN COC[C@@H](N)C(=O)N1CCNC[C@@H]1c1nccn1C ZINC001549044572 894509016 /nfs/dbraw/zinc/50/90/16/894509016.db2.gz CVXRVQCULKKLQG-NXEZZACHSA-N 0 3 267.333 -1.133 20 0 CAADHN NCc1cn([C@@H]2CCCN(C(=O)[C@H]3COCCN3)C2)nn1 ZINC001549047562 894511044 /nfs/dbraw/zinc/51/10/44/894511044.db2.gz SSRZCRCEQYHAOD-VXGBXAGGSA-N 0 3 294.359 -1.111 20 0 CAADHN Cn1nccc1[C@@H]1[C@@H](NC(=O)CN)CC(=O)N1C ZINC001549047409 894511575 /nfs/dbraw/zinc/51/15/75/894511575.db2.gz JRMLJHFPNRSVTB-CPCISQLKSA-N 0 3 251.290 -1.233 20 0 CAADHN CN(C)[C@H]1CN(c2nnnn2C)C[C@@H]1n1ccnn1 ZINC001549559984 894518125 /nfs/dbraw/zinc/51/81/25/894518125.db2.gz ICZLURZBXRQPQX-IUCAKERBSA-N 0 3 263.309 -1.207 20 0 CAADHN CN(C)[C@H]1CN(c2nnnn2C)C[C@H]1n1ccnn1 ZINC001549559974 894519418 /nfs/dbraw/zinc/51/94/18/894519418.db2.gz ICZLURZBXRQPQX-DTWKUNHWSA-N 0 3 263.309 -1.207 20 0 CAADHN Cn1cnc([C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2N)c1 ZINC001549731936 894522697 /nfs/dbraw/zinc/52/26/97/894522697.db2.gz BLUVDHSNNCSSDY-ZJUUUORDSA-N 0 3 298.368 -1.282 20 0 CAADHN Cn1cc([C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2N)cn1 ZINC001550068296 894526213 /nfs/dbraw/zinc/52/62/13/894526213.db2.gz YXMRNJOAPYZQHG-WDEREUQCSA-N 0 3 298.368 -1.282 20 0 CAADHN CC(=O)NCC(=O)N1CCCN(C(=O)[C@H](C)N)CC1 ZINC001550074704 894526823 /nfs/dbraw/zinc/52/68/23/894526823.db2.gz BJZHRXOVTLUPPU-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CN(C)S(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1CO ZINC001549903336 894527384 /nfs/dbraw/zinc/52/73/84/894527384.db2.gz FMBNRQWTWOYGGX-UWVGGRQHSA-N 0 3 263.363 -1.066 20 0 CAADHN NCc1cn([C@@H]2CCN(C(=O)CN3CCOCC3)C2)nn1 ZINC001550096598 894529129 /nfs/dbraw/zinc/52/91/29/894529129.db2.gz MSRVQNQWRGOJNS-GFCCVEGCSA-N 0 3 294.359 -1.158 20 0 CAADHN C[C@@H]1OCCN[C@@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550096577 894530579 /nfs/dbraw/zinc/53/05/79/894530579.db2.gz LPWOMWIWOMHQRZ-DLOVCJGASA-N 0 3 294.359 -1.113 20 0 CAADHN CN1CCN([C@@H]2CCN(C(=O)C3(O)CNC3)C2)CC1 ZINC001550116005 894530847 /nfs/dbraw/zinc/53/08/47/894530847.db2.gz IDRGUQRZAAVALK-LLVKDONJSA-N 0 3 268.361 -1.831 20 0 CAADHN CO[C@H](CN)C(=O)N1CCNC[C@@H]1c1nccn1C ZINC001550184150 894531678 /nfs/dbraw/zinc/53/16/78/894531678.db2.gz MVZVSFUFVQZALO-NXEZZACHSA-N 0 3 267.333 -1.133 20 0 CAADHN COC[C@H](N)C(=O)N1CC[C@H](N2CCN(C)CC2)C1 ZINC001550116360 894533293 /nfs/dbraw/zinc/53/32/93/894533293.db2.gz MXOOJTSGHSGTNT-RYUDHWBXSA-N 0 3 270.377 -1.192 20 0 CAADHN CN1CCN([C@@H]2CCN(C(=O)[C@@H]3COCCN3)C2)CC1 ZINC001550116742 894533311 /nfs/dbraw/zinc/53/33/11/894533311.db2.gz RJKGJUISIIWERY-OLZOCXBDSA-N 0 3 282.388 -1.177 20 0 CAADHN CN(C)[C@H]1CN(CCn2cnnn2)C[C@H]1n1ccnn1 ZINC001550135436 894533857 /nfs/dbraw/zinc/53/38/57/894533857.db2.gz BYHCTCSUQZAYFJ-WDEREUQCSA-N 0 3 277.336 -1.248 20 0 CAADHN CN1CCN([C@H]2CCN(C(=O)[C@@H]3COCCN3)C2)CC1 ZINC001550116744 894534029 /nfs/dbraw/zinc/53/40/29/894534029.db2.gz RJKGJUISIIWERY-STQMWFEESA-N 0 3 282.388 -1.177 20 0 CAADHN CN(C)[C@@H]1CN(C[C@H](O)CO)C[C@H]1n1ccnn1 ZINC001550538631 894537519 /nfs/dbraw/zinc/53/75/19/894537519.db2.gz BJWUQSDROPSQFC-HBNTYKKESA-N 0 3 255.322 -1.582 20 0 CAADHN CNC(=O)[C@@]12CN(C(=O)[C@@H](C)N)C[C@H]1COCC2 ZINC001551407163 894537551 /nfs/dbraw/zinc/53/75/51/894537551.db2.gz GKGOEWDXYAILJR-PTRXPTGYSA-N 0 3 255.318 -1.055 20 0 CAADHN CNC(=O)[C@@]12CN(C(=O)[C@H](C)N)C[C@@H]1COCC2 ZINC001551407164 894538762 /nfs/dbraw/zinc/53/87/62/894538762.db2.gz GKGOEWDXYAILJR-SBMIAAHKSA-N 0 3 255.318 -1.055 20 0 CAADHN CN1CC[C@]2(C(=O)Nc3nnn[n-]3)C[NH2+]C[C@@H]2C1 ZINC001553365958 894560569 /nfs/dbraw/zinc/56/05/69/894560569.db2.gz NUGDAYSGSFOPOR-XCBNKYQSSA-N 0 3 251.294 -1.321 20 0 CAADHN CN1CC[C@]2(C(=O)Nc3nn[n-]n3)C[NH2+]C[C@@H]2C1 ZINC001553365958 894560579 /nfs/dbraw/zinc/56/05/79/894560579.db2.gz NUGDAYSGSFOPOR-XCBNKYQSSA-N 0 3 251.294 -1.321 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1=C2CCCN=C2NN1 ZINC001556503928 894576711 /nfs/dbraw/zinc/57/67/11/894576711.db2.gz CWAQVIFHIXLJNH-MRVPVSSYSA-N 0 3 267.333 -1.421 20 0 CAADHN O=C(N1CC[C@H](N2CC[C@H](O)C2)C1)C1(O)COC1 ZINC001556503137 894576915 /nfs/dbraw/zinc/57/69/15/894576915.db2.gz KKDGQIQLMBXSSM-UWVGGRQHSA-N 0 3 256.302 -1.585 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001556503568 894577915 /nfs/dbraw/zinc/57/79/15/894577915.db2.gz YREWEJNTCSFRDF-GMTAPVOTSA-N 0 3 295.339 -1.293 20 0 CAADHN O=C(N1CC[C@@H](N2CC[C@@H](O)C2)C1)C1(O)COC1 ZINC001556503136 894578122 /nfs/dbraw/zinc/57/81/22/894578122.db2.gz KKDGQIQLMBXSSM-NXEZZACHSA-N 0 3 256.302 -1.585 20 0 CAADHN CN(C)C1(C(=O)NCCNS(=O)(=O)N(C)C)CCC1 ZINC001556517657 894580717 /nfs/dbraw/zinc/58/07/17/894580717.db2.gz LMAWLEWBNROOFM-UHFFFAOYSA-N 0 3 292.405 -1.017 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001556504444 894580800 /nfs/dbraw/zinc/58/08/00/894580800.db2.gz YLDHBMROYZGSPH-UTLUCORTSA-N 0 3 257.334 -1.073 20 0 CAADHN CN(C)CCONC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001557018057 894593216 /nfs/dbraw/zinc/59/32/16/894593216.db2.gz ZGQUSNGDRLMNAN-QMMMGPOBSA-N 0 3 298.303 -1.391 20 0 CAADHN CN(CCNC(=O)C1(C(N)=O)CC1)CCOCCO ZINC001558097219 894612863 /nfs/dbraw/zinc/61/28/63/894612863.db2.gz BKSJZROCRKDXSY-UHFFFAOYSA-N 0 3 273.333 -1.691 20 0 CAADHN COC(=O)NCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001558548842 894621631 /nfs/dbraw/zinc/62/16/31/894621631.db2.gz IIDXZMAZLGVQLJ-MRVPVSSYSA-N 0 3 257.290 -1.068 20 0 CAADHN C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001594585314 986476400 /nfs/dbraw/zinc/47/64/00/986476400.db2.gz YEFQVHZFEAMRSH-NEPJUHHUSA-N 0 3 296.371 -1.397 20 0 CAADHN C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001594585314 986476401 /nfs/dbraw/zinc/47/64/01/986476401.db2.gz YEFQVHZFEAMRSH-NEPJUHHUSA-N 0 3 296.371 -1.397 20 0 CAADHN C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001594585316 986476466 /nfs/dbraw/zinc/47/64/66/986476466.db2.gz YEFQVHZFEAMRSH-RYUDHWBXSA-N 0 3 296.371 -1.397 20 0 CAADHN C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001594585316 986476472 /nfs/dbraw/zinc/47/64/72/986476472.db2.gz YEFQVHZFEAMRSH-RYUDHWBXSA-N 0 3 296.371 -1.397 20 0 CAADHN COCC[C@@H](N)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)[O-] ZINC001599213603 997545622 /nfs/dbraw/zinc/54/56/22/997545622.db2.gz OLMFXNIUYASWBD-RKDXNWHRSA-N 0 3 259.306 -1.375 20 0 CAADHN C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)N(C)C1CC1 ZINC000079965739 230161140 /nfs/dbraw/zinc/16/11/40/230161140.db2.gz OYKYEWIBVAMQGZ-MRVPVSSYSA-N 0 3 280.332 -1.024 20 0 CAADHN O=C(C[C@@H]1CNCCO1)N1CCN(CCO)CC1 ZINC000091299376 230163677 /nfs/dbraw/zinc/16/36/77/230163677.db2.gz BPEQYKOVVZNCSM-LLVKDONJSA-N 0 3 257.334 -1.499 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)C[C@@H]1CNCCO1 ZINC000091301353 230163804 /nfs/dbraw/zinc/16/38/04/230163804.db2.gz CTEKOXZVENZIIH-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCNCC2)C1 ZINC000091431364 230165480 /nfs/dbraw/zinc/16/54/80/230165480.db2.gz HXVAZVXIIGCVKL-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCNCC2)C1 ZINC000091431366 230166241 /nfs/dbraw/zinc/16/62/41/230166241.db2.gz HXVAZVXIIGCVKL-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N(C)CCN1CCCC1 ZINC000124177110 230172843 /nfs/dbraw/zinc/17/28/43/230172843.db2.gz LXIMTVUOWYEGJU-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000172752466 230190070 /nfs/dbraw/zinc/19/00/70/230190070.db2.gz AFFTYCLKMMXDRI-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000172752482 230190704 /nfs/dbraw/zinc/19/07/04/230190704.db2.gz AFFTYCLKMMXDRI-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC000179481358 230198629 /nfs/dbraw/zinc/19/86/29/230198629.db2.gz QZDFFSKKINOQSP-LLVKDONJSA-N 0 3 297.359 -1.191 20 0 CAADHN COCCN(C)[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191698366 781918914 /nfs/dbraw/zinc/91/89/14/781918914.db2.gz YUQIORNUDWWESP-GFCCVEGCSA-N 0 3 298.387 -1.403 20 0 CAADHN CC(C(=O)N1CCN(CCO)[C@@H](C)C1)S(C)(=O)=O ZINC000188735342 230204355 /nfs/dbraw/zinc/20/43/55/230204355.db2.gz VXALKYMGIKDEPV-VHSXEESVSA-N 0 3 278.374 -1.056 20 0 CAADHN O=C(Cn1cn[nH]c1=O)N1CCN2CCC[C@@H]2C1 ZINC000186682830 230204460 /nfs/dbraw/zinc/20/44/60/230204460.db2.gz LROZPYLYIKAPMM-SECBINFHSA-N 0 3 251.290 -1.122 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000227362369 230213732 /nfs/dbraw/zinc/21/37/32/230213732.db2.gz NGWXHSBQDHUTQQ-WDEREUQCSA-N 0 3 285.344 -1.190 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC000228754111 230213936 /nfs/dbraw/zinc/21/39/36/230213936.db2.gz OXSIZJNZKCIKBS-CABZTGNLSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CN1CC(=O)NC1=O ZINC000237594998 230215346 /nfs/dbraw/zinc/21/53/46/230215346.db2.gz YLUWTTQQLYIVFZ-JGVFFNPUSA-N 0 3 254.290 -1.253 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000227362373 230212249 /nfs/dbraw/zinc/21/22/49/230212249.db2.gz NGWXHSBQDHUTQQ-MNOVXSKESA-N 0 3 285.344 -1.190 20 0 CAADHN COC[C@H](N)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000262277440 230227149 /nfs/dbraw/zinc/22/71/49/230227149.db2.gz LFUUUZBJPOZUQI-MXWKQRLJSA-N 0 3 259.350 -1.126 20 0 CAADHN C[C@@H]1CN(CCC(=O)N2CCNCC2)C[C@@H](C(N)=O)O1 ZINC000262036762 230223793 /nfs/dbraw/zinc/22/37/93/230223793.db2.gz HGYFLQXXWIGMOW-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN COC[C@H](N)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000262277445 230225590 /nfs/dbraw/zinc/22/55/90/230225590.db2.gz LFUUUZBJPOZUQI-VWYCJHECSA-N 0 3 259.350 -1.126 20 0 CAADHN NC1(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000262705201 230231965 /nfs/dbraw/zinc/23/19/65/230231965.db2.gz LWYQRXPMKHFMBU-UHFFFAOYSA-N 0 3 293.414 -1.028 20 0 CAADHN C[C@@H]1CCCN(CCNC(=O)CNC(=O)CN)C1 ZINC000262463104 230227942 /nfs/dbraw/zinc/22/79/42/230227942.db2.gz XWXWXDCBJWCEBZ-SNVBAGLBSA-N 0 3 256.350 -1.091 20 0 CAADHN O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCNc1cc[nH+]cc1 ZINC000343199666 230240247 /nfs/dbraw/zinc/24/02/47/230240247.db2.gz GEGAABDDUBVPBJ-VIFPVBQESA-N 0 3 277.284 -1.370 20 0 CAADHN CN(C)C[C@@H]1CN(C(=O)[C@@H]2COCCN2)CCO1 ZINC000424181431 282125434 /nfs/dbraw/zinc/12/54/34/282125434.db2.gz RGCHGULVLJCSFZ-MNOVXSKESA-N 0 3 257.334 -1.236 20 0 CAADHN CN(C)C[C@@H]1CN(C(=O)[C@H]2CNCCO2)CCO1 ZINC000424180939 282126188 /nfs/dbraw/zinc/12/61/88/282126188.db2.gz QAZVRCJLAQFWNK-GHMZBOCLSA-N 0 3 257.334 -1.236 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CN1CCCS1(=O)=O ZINC000337459491 282129142 /nfs/dbraw/zinc/12/91/42/282129142.db2.gz OPGNGSIZADTTKZ-NSHDSACASA-N 0 3 293.389 -1.549 20 0 CAADHN COCCN(C)CCNC(=O)C(=O)N1CCNC[C@H]1C ZINC000419358708 230254410 /nfs/dbraw/zinc/25/44/10/230254410.db2.gz PQWFCRUCSBRLEJ-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN COCCN(C)CCNC(=O)C(=O)NCC(F)(F)CN ZINC000419352736 230254991 /nfs/dbraw/zinc/25/49/91/230254991.db2.gz IUODTBNUWFEDNT-UHFFFAOYSA-N 0 3 296.318 -1.609 20 0 CAADHN COCCN(C)CCNC(=O)C(=O)N1CCN[C@H](C)C1 ZINC000419366586 230255026 /nfs/dbraw/zinc/25/50/26/230255026.db2.gz ZLDCUDVQPWMWAY-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN NC[C@H](NC(=O)C(=O)N1CCNC(=O)C1)C1CCCCC1 ZINC000419965573 230258717 /nfs/dbraw/zinc/25/87/17/230258717.db2.gz JZESVZGRWQHVEM-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)CCN1 ZINC000423060188 230266024 /nfs/dbraw/zinc/26/60/24/230266024.db2.gz HOJYRZWHMGPAOB-SNVBAGLBSA-N 0 3 256.350 -1.173 20 0 CAADHN CC[C@@H]1CN(C(=O)[C@H](N)CC(N)=O)CCN1CCOC ZINC000353702357 529376817 /nfs/dbraw/zinc/37/68/17/529376817.db2.gz KPXISBKFSZVIEE-GHMZBOCLSA-N 0 3 286.376 -1.242 20 0 CAADHN CN(C)CCOCCNC(=O)NCc1nnn(C)n1 ZINC000426214276 230288580 /nfs/dbraw/zinc/28/85/80/230288580.db2.gz OFQQMIJYOPVKSB-UHFFFAOYSA-N 0 3 271.325 -1.413 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)COC1CNC1 ZINC000429680855 230300234 /nfs/dbraw/zinc/30/02/34/230300234.db2.gz UKMMLJSXVBVVCP-UHFFFAOYSA-N 0 3 273.333 -1.462 20 0 CAADHN O=C(CNC[C@H]1CCCO1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000430062122 230303017 /nfs/dbraw/zinc/30/30/17/230303017.db2.gz TXQPIJZWJVFXAJ-GHMZBOCLSA-N 0 3 282.344 -1.009 20 0 CAADHN COCCN(C)[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001191698367 781919941 /nfs/dbraw/zinc/91/99/41/781919941.db2.gz YUQIORNUDWWESP-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN C[C@H]1CN(C(=O)COC2CNC2)CCS1(=O)=O ZINC000430396260 230303862 /nfs/dbraw/zinc/30/38/62/230303862.db2.gz SQAKQXLJCFTJHW-QMMMGPOBSA-N 0 3 262.331 -1.380 20 0 CAADHN COC[C@@](C)(NC(=O)COC1CNC1)C(=O)OC ZINC000430447461 230305681 /nfs/dbraw/zinc/30/56/81/230305681.db2.gz IVDNMTIIWKPNJG-LLVKDONJSA-N 0 3 260.290 -1.331 20 0 CAADHN COCCNC(=O)CN1CCN(C(=O)CN)CC1 ZINC000430832617 230309115 /nfs/dbraw/zinc/30/91/15/230309115.db2.gz HUIWCJFTCFSBNM-UHFFFAOYSA-N 0 3 258.322 -2.148 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CCNCC2=O)C1 ZINC000430715475 230308199 /nfs/dbraw/zinc/30/81/99/230308199.db2.gz AQQSFLJECSJGDM-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNCCO1)CN1CCN(C)CC1 ZINC000431012286 230312115 /nfs/dbraw/zinc/31/21/15/230312115.db2.gz ABFJCIIYIHKION-CHWSQXEVSA-N 0 3 284.404 -1.026 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1C(=O)CN1CCNCC1=O ZINC000434668762 230318643 /nfs/dbraw/zinc/31/86/43/230318643.db2.gz COFJDCHLYGKEDL-VHSXEESVSA-N 0 3 254.334 -1.373 20 0 CAADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001191744915 781920318 /nfs/dbraw/zinc/92/03/18/781920318.db2.gz KOVMOTOMNQBJEE-IJLUTSLNSA-N 0 3 299.371 -1.147 20 0 CAADHN COC[C@@](C)(CCO)NCC(=O)N1CCNC1=O ZINC000438479512 230323002 /nfs/dbraw/zinc/32/30/02/230323002.db2.gz PKYMVEYKAWLFLT-LLVKDONJSA-N 0 3 259.306 -1.085 20 0 CAADHN C[C@H](O)CN(CCN1C(=O)CNC1=O)[C@@H](C)CO ZINC000443336012 230333691 /nfs/dbraw/zinc/33/36/91/230333691.db2.gz QTCIVHMUKGQWDC-IUCAKERBSA-N 0 3 259.306 -1.398 20 0 CAADHN CC[C@H](N)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000177949582 529441245 /nfs/dbraw/zinc/44/12/45/529441245.db2.gz AQOMBPXPJAZALR-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN [NH3+][C@@H]1CCC[C@H](NC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000446395159 230339168 /nfs/dbraw/zinc/33/91/68/230339168.db2.gz BLFKQSNIRWBJPR-SFYZADRCSA-N 0 3 254.290 -1.076 20 0 CAADHN CC[C@H](N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803997 529442538 /nfs/dbraw/zinc/44/25/38/529442538.db2.gz WCCCYTIWAIEAPH-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN CC[C@H](N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803987 529442587 /nfs/dbraw/zinc/44/25/87/529442587.db2.gz WCCCYTIWAIEAPH-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@H](C(=O)N(C)C)S(=O)(=O)NCCOCCN(C)C ZINC000447753768 230342315 /nfs/dbraw/zinc/34/23/15/230342315.db2.gz NHFWVWAOJHLTDK-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC(=O)N1 ZINC000456190793 230348836 /nfs/dbraw/zinc/34/88/36/230348836.db2.gz NOTBBTYICDLJLM-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN CN(C)CCOCCNC(=O)NCCNS(C)(=O)=O ZINC000471638416 230353382 /nfs/dbraw/zinc/35/33/82/230353382.db2.gz SKUNIPWDSUPDQL-UHFFFAOYSA-N 0 3 296.393 -1.587 20 0 CAADHN CN(C)CCOCCNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000471646656 230354761 /nfs/dbraw/zinc/35/47/61/230354761.db2.gz WFHCLYBFZGJNOH-LLVKDONJSA-N 0 3 299.375 -1.016 20 0 CAADHN NCC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000490681127 230359949 /nfs/dbraw/zinc/35/99/49/230359949.db2.gz KJROENNVHLKDQJ-VIFPVBQESA-N 0 3 279.362 -1.450 20 0 CAADHN C[C@H](NC(=O)[C@@H]1NC(=O)O[C@@H]1C)C(=O)NCCN(C)C ZINC000496065634 230364441 /nfs/dbraw/zinc/36/44/41/230364441.db2.gz LUYNLZWCNOSKPX-DJLDLDEBSA-N 0 3 286.332 -1.334 20 0 CAADHN CC[C@@H](Nc1nc(NCCO)nc(NC(C)C)n1)[C@@H](C)O ZINC000450805204 529569930 /nfs/dbraw/zinc/56/99/30/529569930.db2.gz ZQANYWKFDJGUBL-NXEZZACHSA-N 0 3 298.391 -1.067 20 0 CAADHN CC[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(N)=O ZINC000428823455 529654477 /nfs/dbraw/zinc/65/44/77/529654477.db2.gz FWCMVTHQSOPRIK-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191781082 781922175 /nfs/dbraw/zinc/92/21/75/781922175.db2.gz MAYWTGGSFUGORS-SNVBAGLBSA-N 0 3 298.347 -1.635 20 0 CAADHN CN1CCN(CCCNC(=O)[C@H]2COC(=O)N2)CC1 ZINC000497201344 529770849 /nfs/dbraw/zinc/77/08/49/529770849.db2.gz HBBJFQFRGZVEII-SNVBAGLBSA-N 0 3 270.333 -1.152 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CN(CCCOC)C[C@H]1O ZINC001191825091 781922995 /nfs/dbraw/zinc/92/29/95/781922995.db2.gz YGCCOORCYWBFFM-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CN1CC[C@H]2CCN(C(=O)C(=O)N3CCNCC3)[C@@H]2C1 ZINC000423558002 529807578 /nfs/dbraw/zinc/80/75/78/529807578.db2.gz IVGXHFASTVPLOQ-NWDGAFQWSA-N 0 3 280.372 -1.029 20 0 CAADHN CN1CC[C@H]2OCCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC000329053774 529807977 /nfs/dbraw/zinc/80/79/77/529807977.db2.gz XHGQXTKPWNBPII-NXEZZACHSA-N 0 3 281.316 -1.085 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000444323453 529809105 /nfs/dbraw/zinc/80/91/05/529809105.db2.gz KVCXYJINWGKVMS-ZDUSSCGKSA-N 0 3 284.360 -2.057 20 0 CAADHN CN1C[C@@H]2CCCN(C(=O)[C@@H](CO)NC(N)=O)[C@@H]2C1 ZINC000425057993 529822098 /nfs/dbraw/zinc/82/20/98/529822098.db2.gz NYDYLVKEPPGNCO-IVZWLZJFSA-N 0 3 270.333 -1.432 20 0 CAADHN C[N@H+]1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)C[C@H]2C1 ZINC000192496565 529823767 /nfs/dbraw/zinc/82/37/67/529823767.db2.gz CXWGLFOCWVASJC-AEJSXWLSSA-N 0 3 280.328 -1.005 20 0 CAADHN C[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3NC(=O)[N-]C3=O)C[C@H]2C1 ZINC000192496565 529823768 /nfs/dbraw/zinc/82/37/68/529823768.db2.gz CXWGLFOCWVASJC-AEJSXWLSSA-N 0 3 280.328 -1.005 20 0 CAADHN CN1C[C@@H]2CN(S(=O)(=O)c3cnnn3C)C[C@@H]2C1 ZINC000330054178 529823903 /nfs/dbraw/zinc/82/39/03/529823903.db2.gz ROVBTCPVRZBTTA-DTORHVGOSA-N 0 3 271.346 -1.003 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)c1ccn[nH]1 ZINC000062778125 529828191 /nfs/dbraw/zinc/82/81/91/529828191.db2.gz PIMXWURADOQAPH-UHFFFAOYSA-N 0 3 251.290 -1.087 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)Cc1ccn[nH]1 ZINC000428193212 529828208 /nfs/dbraw/zinc/82/82/08/529828208.db2.gz PRKFYXHEZCUADR-UHFFFAOYSA-N 0 3 265.317 -1.158 20 0 CAADHN CN(CC(=O)N1CCOCC1)C(=O)COC1CNC1 ZINC000430193846 529828552 /nfs/dbraw/zinc/82/85/52/529828552.db2.gz GWVFVOHODFPTRS-UHFFFAOYSA-N 0 3 271.317 -1.708 20 0 CAADHN CNc1nc(N[C@H]2C[C@@H](O)C2)nc(N[C@H]2C[C@@H](O)C2)n1 ZINC000450925163 529833688 /nfs/dbraw/zinc/83/36/88/529833688.db2.gz HUPGTUGFPVUYCE-FOVOQCRYSA-N 0 3 280.332 -1.951 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@H](N)CCSC)CC1 ZINC000159995584 529862917 /nfs/dbraw/zinc/86/29/17/529862917.db2.gz IOCCAXSORVIPKP-SNVBAGLBSA-N 0 3 288.417 -1.043 20 0 CAADHN CNC(=O)CCN(C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000219013333 529855204 /nfs/dbraw/zinc/85/52/04/529855204.db2.gz PROQQEPTNOWUJZ-NSHDSACASA-N 0 3 272.349 -1.320 20 0 CAADHN CNC(=O)NC(=O)CN1CCNC[C@@H]1c1nccn1C ZINC000261737410 529879989 /nfs/dbraw/zinc/87/99/89/529879989.db2.gz KGGLTCWCWYCJLQ-SECBINFHSA-N 0 3 280.332 -1.178 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000332380117 529880816 /nfs/dbraw/zinc/88/08/16/529880816.db2.gz FUMNGHFKANKLPP-INTQDDNPSA-N 0 3 294.359 -1.009 20 0 CAADHN CNC(=O)NC1CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000332080475 529883983 /nfs/dbraw/zinc/88/39/83/529883983.db2.gz ZVUSPXAWVCQPLX-LURJTMIESA-N 0 3 263.319 -1.441 20 0 CAADHN CN(CCC(=O)N1CCN(C)CC1)[C@@H]1COC[C@H]1O ZINC000329184520 529870521 /nfs/dbraw/zinc/87/05/21/529870521.db2.gz PFXBFWBZLSGJBL-VXGBXAGGSA-N 0 3 271.361 -1.158 20 0 CAADHN CNC(=O)[C@@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000430504756 529899987 /nfs/dbraw/zinc/89/99/87/529899987.db2.gz NXVOSRAGTROBAR-SECBINFHSA-N 0 3 255.318 -1.041 20 0 CAADHN CN(CCNC(=O)CN1CCNCC1=O)C1CC1 ZINC000431053335 529913039 /nfs/dbraw/zinc/91/30/39/529913039.db2.gz MOUNLUZXXGIKPE-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN CN(CCNC(=O)NCCS(N)(=O)=O)C1CC1 ZINC000352666852 529914386 /nfs/dbraw/zinc/91/43/86/529914386.db2.gz XXRPECDDUWBBCS-UHFFFAOYSA-N 0 3 264.351 -1.332 20 0 CAADHN CNC(=O)c1cc(S(=O)(=O)N(C)C2CNC2)cn1C ZINC000090290015 529932454 /nfs/dbraw/zinc/93/24/54/529932454.db2.gz BKYGUOVXEQZBBB-UHFFFAOYSA-N 0 3 286.357 -1.023 20 0 CAADHN CNCC(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000430793571 529956157 /nfs/dbraw/zinc/95/61/57/529956157.db2.gz MKYLNTKWZCQWIH-UHFFFAOYSA-N 0 3 256.350 -1.172 20 0 CAADHN CNCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000237198514 529956172 /nfs/dbraw/zinc/95/61/72/529956172.db2.gz KVYZSTPAQWAKCX-UHFFFAOYSA-N 0 3 282.344 -1.501 20 0 CAADHN CNCC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000262618712 529956334 /nfs/dbraw/zinc/95/63/34/529956334.db2.gz HNXAODCBODFAQK-UHFFFAOYSA-N 0 3 281.403 -1.299 20 0 CAADHN CNCC(=O)N1CCN(c2ccc3nncn3n2)CC1 ZINC000430712904 529956422 /nfs/dbraw/zinc/95/64/22/529956422.db2.gz IQAVBOQIPDXIPA-UHFFFAOYSA-N 0 3 275.316 -1.008 20 0 CAADHN CNCC(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 ZINC000430862381 529956729 /nfs/dbraw/zinc/95/67/29/529956729.db2.gz DOAKCUVDTKOGRJ-UHFFFAOYSA-N 0 3 294.359 -1.185 20 0 CAADHN C[C@H](O)CN(CCO)CCN1C(=O)NC(C)(C)C1=O ZINC000311909997 290080975 /nfs/dbraw/zinc/08/09/75/290080975.db2.gz HFKZWJBVCXHPHT-VIFPVBQESA-N 0 3 273.333 -1.008 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)CC(C)(CO)CO ZINC000120592179 529959708 /nfs/dbraw/zinc/95/97/08/529959708.db2.gz JCFNPVKKRUTYFB-LBPRGKRZSA-N 0 3 276.377 -1.398 20 0 CAADHN CN(C[C@H](O)Cn1nnc2c(cnn2C)c1=O)C1CC1 ZINC000336834954 529961992 /nfs/dbraw/zinc/96/19/92/529961992.db2.gz IWYOWBPSLZXHNT-VIFPVBQESA-N 0 3 278.316 -1.020 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCNC(=O)C1 ZINC000422103783 529965953 /nfs/dbraw/zinc/96/59/53/529965953.db2.gz ODJGAVWXOKWYST-SNVBAGLBSA-N 0 3 282.344 -1.503 20 0 CAADHN CNCCN(C)S(=O)(=O)N(CCOC)CCOC ZINC000440844605 529973455 /nfs/dbraw/zinc/97/34/55/529973455.db2.gz IOPCCMXHUOBHKZ-UHFFFAOYSA-N 0 3 283.394 -1.023 20 0 CAADHN C[NH2+]CCNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000429098176 529974983 /nfs/dbraw/zinc/97/49/83/529974983.db2.gz YUOFZYIRLFUPKA-UHFFFAOYSA-N 0 3 275.334 -1.966 20 0 CAADHN C[NH2+]CCNC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000429092768 529975123 /nfs/dbraw/zinc/97/51/23/529975123.db2.gz XHXOPHQTYCNQCX-UHFFFAOYSA-N 0 3 289.361 -1.658 20 0 CAADHN C[NH2+]C[C@@H]1CCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000429492271 529989249 /nfs/dbraw/zinc/98/92/49/529989249.db2.gz OAQWDGQEXBDYLL-QMMMGPOBSA-N 0 3 254.290 -1.251 20 0 CAADHN CNS(=O)(=O)CC(=O)N(CCOC)CCN(C)C ZINC000434840286 530013634 /nfs/dbraw/zinc/01/36/34/530013634.db2.gz AYAXXNAQYJHBPB-UHFFFAOYSA-N 0 3 281.378 -1.428 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCCN(C)CCOC ZINC000435227400 530014027 /nfs/dbraw/zinc/01/40/27/530014027.db2.gz QMWGZCSDWHRWHU-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN CNS(=O)(=O)CCCN(C)CC(C)(CO)CO ZINC000120598059 530014508 /nfs/dbraw/zinc/01/45/08/530014508.db2.gz KXYDVELUHFEIKA-UHFFFAOYSA-N 0 3 268.379 -1.152 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCC1(N(C)C)CCC1 ZINC000332061625 530022399 /nfs/dbraw/zinc/02/23/99/530022399.db2.gz QEFKUGHVWIILAV-UHFFFAOYSA-N 0 3 278.378 -1.359 20 0 CAADHN CNS(=O)(=O)CCNC(=O)NC[C@@](C)(O)CN(C)C ZINC000439825401 530016640 /nfs/dbraw/zinc/01/66/40/530016640.db2.gz ILCJEPULDJQPGI-SNVBAGLBSA-N 0 3 296.393 -1.853 20 0 CAADHN CNS(=O)(=O)CCNC(=O)NCCOCCN(C)C ZINC000471638806 530016716 /nfs/dbraw/zinc/01/67/16/530016716.db2.gz VGFIFCKDAMHAHU-UHFFFAOYSA-N 0 3 296.393 -1.587 20 0 CAADHN CNS(=O)(=O)N1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000493003833 530020528 /nfs/dbraw/zinc/02/05/28/530020528.db2.gz IRLZHIYEVGKNBW-SNAWJCMRSA-N 0 3 290.389 -1.287 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CC1(N(C)C)CCC1 ZINC000451232199 530021573 /nfs/dbraw/zinc/02/15/73/530021573.db2.gz SPBMVLWAUNPINT-UHFFFAOYSA-N 0 3 292.405 -1.017 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC1(CN(C)C)CCC1 ZINC000332056945 530022002 /nfs/dbraw/zinc/02/20/02/530022002.db2.gz NUHIGKDVCKJFOC-UHFFFAOYSA-N 0 3 278.378 -1.359 20 0 CAADHN CNS(=O)(=O)NC[C@@H](O)CN1CCCCC1 ZINC000351929507 530023099 /nfs/dbraw/zinc/02/30/99/530023099.db2.gz ZPCFCDZRJMUQIJ-SECBINFHSA-N 0 3 251.352 -1.113 20 0 CAADHN CN1C(=O)CC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1=O ZINC000333400377 530042212 /nfs/dbraw/zinc/04/22/12/530042212.db2.gz FOOFKPKQBOYMJP-QWRGUYRKSA-N 0 3 294.355 -1.360 20 0 CAADHN CN1CCC(NC(=O)CN2CCNCC2=O)CC1 ZINC000430832911 530050063 /nfs/dbraw/zinc/05/00/63/530050063.db2.gz KLONFUMFTOPVBA-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN CN1CCC(O)(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC000354734561 530050695 /nfs/dbraw/zinc/05/06/95/530050695.db2.gz OVJPQAXBJIXYNA-LLVKDONJSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCCN(C(=O)NCCNS(C)(=O)=O)CC1 ZINC000332050293 530053404 /nfs/dbraw/zinc/05/34/04/530053404.db2.gz VXSISRIXERXXLY-UHFFFAOYSA-N 0 3 278.378 -1.117 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC000333559137 530057205 /nfs/dbraw/zinc/05/72/05/530057205.db2.gz RHVVVOHUSVGYSC-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2nnn(C)n2)CC1 ZINC000193446252 530061948 /nfs/dbraw/zinc/06/19/48/530061948.db2.gz BXYDBEZPUDPSQS-NSHDSACASA-N 0 3 293.375 -1.052 20 0 CAADHN CN1CCC[C@H]1CNC(=O)CN1CCN(C)C(=O)C1 ZINC000333559138 530063066 /nfs/dbraw/zinc/06/30/66/530063066.db2.gz RHVVVOHUSVGYSC-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)[C@@]2(F)CCNC2)CC1 ZINC000178700857 530067711 /nfs/dbraw/zinc/06/77/11/530067711.db2.gz WURHZNGIUSPCNL-CYBMUJFWSA-N 0 3 286.351 -1.032 20 0 CAADHN CN(CC(O)CN(C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000512164898 282379678 /nfs/dbraw/zinc/37/96/78/282379678.db2.gz JHGGHQALQPGABA-FDYHWXHSSA-N 0 3 290.360 -2.270 20 0 CAADHN COCCN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000576458395 335205959 /nfs/dbraw/zinc/20/59/59/335205959.db2.gz IYKHPXNKHGUPBE-JTQLQIEISA-N 0 3 272.349 -1.808 20 0 CAADHN CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1)C1CCC1 ZINC001191987775 781925819 /nfs/dbraw/zinc/92/58/19/781925819.db2.gz KLXWZRGJTXXXLX-IJLUTSLNSA-N 0 3 299.371 -1.162 20 0 CAADHN CC(C)OCCCN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987128 781926230 /nfs/dbraw/zinc/92/62/30/781926230.db2.gz GKCPZUZAELPRMM-GHMZBOCLSA-N 0 3 287.360 -1.162 20 0 CAADHN OCCN(CCN1CCOCC1)C[C@H](O)Cn1cccn1 ZINC000487493785 545594235 /nfs/dbraw/zinc/59/42/35/545594235.db2.gz BRNGSQSQHDGJQJ-AWEZNQCLSA-N 0 3 298.387 -1.130 20 0 CAADHN C[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)C(=O)N(C)C ZINC000358692616 299164891 /nfs/dbraw/zinc/16/48/91/299164891.db2.gz ZLOSNHDVEFTCDQ-JOYOIKCWSA-N 0 3 272.349 -1.171 20 0 CAADHN Cc1cc(O)cc(=O)n1CC(=O)N[C@H](CO)CN(C)C ZINC000673521298 545594674 /nfs/dbraw/zinc/59/46/74/545594674.db2.gz OWPVKDHXLHPNRT-JTQLQIEISA-N 0 3 283.328 -1.099 20 0 CAADHN Cc1cc(O)cc(=O)n1CC(=O)N[C@@H](CO)CN(C)C ZINC000673521304 545594682 /nfs/dbraw/zinc/59/46/82/545594682.db2.gz OWPVKDHXLHPNRT-SNVBAGLBSA-N 0 3 283.328 -1.099 20 0 CAADHN Cn1nc(C(=O)N[C@H](CO)CN2CCCC2)ccc1=O ZINC000673530950 545594723 /nfs/dbraw/zinc/59/47/23/545594723.db2.gz NDAVGUZVYIZLHZ-JTQLQIEISA-N 0 3 280.328 -1.033 20 0 CAADHN CN1CCO[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC000673514408 545594821 /nfs/dbraw/zinc/59/48/21/545594821.db2.gz GAEXEDWMIJDCKU-AGIUHOORSA-N 0 3 283.372 -1.016 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000673531855 545594759 /nfs/dbraw/zinc/59/47/59/545594759.db2.gz OOYKGBBLMBJGRP-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](CO)CN(C)C ZINC000673522433 545594770 /nfs/dbraw/zinc/59/47/70/545594770.db2.gz VXBPBAZQNBXQQF-SSDOTTSWSA-N 0 3 253.324 -2.426 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001191978713 781929015 /nfs/dbraw/zinc/92/90/15/781929015.db2.gz NJNAUYBTLGMXTL-VXGBXAGGSA-N 0 3 299.371 -1.160 20 0 CAADHN CC(C(=O)N[C@H](CO)CN1CCCC1)S(C)(=O)=O ZINC000673533839 545595317 /nfs/dbraw/zinc/59/53/17/545595317.db2.gz VQNRHYJNJUXGAT-ZJUUUORDSA-N 0 3 278.374 -1.008 20 0 CAADHN C[C@@H](C(=O)N[C@@H](CO)CN(C)C)N1CCN(C)CC1 ZINC000673520945 545595341 /nfs/dbraw/zinc/59/53/41/545595341.db2.gz MIJPWNYOUKXUCV-NWDGAFQWSA-N 0 3 272.393 -1.339 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1CCCS1(=O)=O ZINC000673522259 545595347 /nfs/dbraw/zinc/59/53/47/545595347.db2.gz UNKLRMASEGZSQO-VIFPVBQESA-N 0 3 279.362 -1.939 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000673531850 545595391 /nfs/dbraw/zinc/59/53/91/545595391.db2.gz OOYKGBBLMBJGRP-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN COCC(=O)N[C@H](C(=O)N[C@@H](CO)CN(C)C)C(C)C ZINC000673522249 545595137 /nfs/dbraw/zinc/59/51/37/545595137.db2.gz ULYQYJMJXKLHHP-PWSUYJOCSA-N 0 3 289.376 -1.188 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCS(=O)(=O)N(C)C ZINC000673522258 545594873 /nfs/dbraw/zinc/59/48/73/545594873.db2.gz FZVRWFDWXUXPLL-SECBINFHSA-N 0 3 281.378 -1.693 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCC(=O)N1CCOCC1 ZINC000673520846 545594915 /nfs/dbraw/zinc/59/49/15/545594915.db2.gz ILORTAURXRYCLL-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN O=C(CN1CCOCC1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000673516493 545594924 /nfs/dbraw/zinc/59/49/24/545594924.db2.gz HWMDIDPPZYRITB-QWHCGFSZSA-N 0 3 283.372 -1.014 20 0 CAADHN CC(C(=O)N[C@@H](CO)CN1CCCC1)S(C)(=O)=O ZINC000673533803 545595204 /nfs/dbraw/zinc/59/52/04/545595204.db2.gz VQNRHYJNJUXGAT-NXEZZACHSA-N 0 3 278.374 -1.008 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H](CO)CN2CCCC2)c1=O ZINC000673530408 545594930 /nfs/dbraw/zinc/59/49/30/545594930.db2.gz IGYIOWGNMSOQMH-SNVBAGLBSA-N 0 3 283.332 -1.845 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN(C)S(C)(=O)=O ZINC000673520943 545595581 /nfs/dbraw/zinc/59/55/81/545595581.db2.gz IZFLGAHPOLRNMN-QMMMGPOBSA-N 0 3 267.351 -2.084 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@@H](CO)CN(C)C ZINC000673521563 545595462 /nfs/dbraw/zinc/59/54/62/545595462.db2.gz CRVFYQMJOGZZIN-RKDXNWHRSA-N 0 3 260.338 -1.138 20 0 CAADHN CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1)OC ZINC001191978605 781929082 /nfs/dbraw/zinc/92/90/82/781929082.db2.gz LTYUZORSRWYYJO-OPRDCNLKSA-N 0 3 273.333 -1.552 20 0 CAADHN CN1CCO[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC000673514413 545595553 /nfs/dbraw/zinc/59/55/53/545595553.db2.gz GAEXEDWMIJDCKU-XQQFMLRXSA-N 0 3 283.372 -1.016 20 0 CAADHN COCC(=O)N[C@H](C(=O)N[C@H](CO)CN(C)C)C(C)C ZINC000673522248 545595560 /nfs/dbraw/zinc/59/55/60/545595560.db2.gz ULYQYJMJXKLHHP-JQWIXIFHSA-N 0 3 289.376 -1.188 20 0 CAADHN Cn1cnn(CC(=O)NC[C@@]2(O)CN3CCC2CC3)c1=O ZINC000673484581 545595398 /nfs/dbraw/zinc/59/53/98/545595398.db2.gz AXSAVVHCCHYZRM-CYBMUJFWSA-N 0 3 295.343 -1.845 20 0 CAADHN CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1)OC ZINC001191978604 781929354 /nfs/dbraw/zinc/92/93/54/781929354.db2.gz LTYUZORSRWYYJO-IVZWLZJFSA-N 0 3 273.333 -1.552 20 0 CAADHN CN(CC(=O)N[C@@H](CO)CN1CCCC1)S(C)(=O)=O ZINC000673531288 545595627 /nfs/dbraw/zinc/59/56/27/545595627.db2.gz MPSPTEVNHVOXDF-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@H](CO)CN(C)C ZINC000673521554 545595653 /nfs/dbraw/zinc/59/56/53/545595653.db2.gz CRVFYQMJOGZZIN-DTWKUNHWSA-N 0 3 260.338 -1.138 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@H]2COCCO2)CC1=O ZINC000673644134 545596550 /nfs/dbraw/zinc/59/65/50/545596550.db2.gz SXICDEUZBCIQPW-RYUDHWBXSA-N 0 3 299.371 -1.072 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001191979354 781929912 /nfs/dbraw/zinc/92/99/12/781929912.db2.gz SELLLZOTNDDIKT-GMTAPVOTSA-N 0 3 285.344 -1.408 20 0 CAADHN C[C@@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191978644 781930110 /nfs/dbraw/zinc/93/01/10/781930110.db2.gz MSQGBFNFWWKAMB-OPRDCNLKSA-N 0 3 273.333 -1.816 20 0 CAADHN COC[C@H](NC(=O)CCOC1CNC1)C(=O)OC ZINC000573918307 334977118 /nfs/dbraw/zinc/97/71/18/334977118.db2.gz YWPCYTKNLUNXGD-VIFPVBQESA-N 0 3 260.290 -1.331 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCC[C@](C)(O)C2)[C@@H](CN)C1 ZINC000515233299 282885731 /nfs/dbraw/zinc/88/57/31/282885731.db2.gz XOXIFVLHWLZTQA-FZMZJTMJSA-N 0 3 298.387 -1.539 20 0 CAADHN O[C@H](CN1CCOCC1)CN1C[C@H](O)C[C@H](O)C1 ZINC000674464425 545598001 /nfs/dbraw/zinc/59/80/01/545598001.db2.gz CQQVDRIXCQUFIY-GRYCIOLGSA-N 0 3 260.334 -1.893 20 0 CAADHN O=C(CCN1C[C@H](O)C[C@H](O)C1)N1CCOCC1 ZINC000674464648 545598128 /nfs/dbraw/zinc/59/81/28/545598128.db2.gz IFFMGQJEMDBPPZ-PHIMTYICSA-N 0 3 258.318 -1.337 20 0 CAADHN COCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192037953 781931247 /nfs/dbraw/zinc/93/12/47/781931247.db2.gz MIGPFFBXLVMZNT-ZJUUUORDSA-N 0 3 270.333 -1.153 20 0 CAADHN O[C@@H]1C[C@H](O)CN(CCCN2C[C@H](O)C[C@H](O)C2)C1 ZINC000674498240 545598979 /nfs/dbraw/zinc/59/89/79/545598979.db2.gz PDFFJABKIRHZAB-MPZDIEGVSA-N 0 3 274.361 -1.769 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072074 781933463 /nfs/dbraw/zinc/93/34/63/781933463.db2.gz AAJNRKCGLXINJF-SECBINFHSA-N 0 3 259.306 -1.987 20 0 CAADHN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000674824395 545600559 /nfs/dbraw/zinc/60/05/59/545600559.db2.gz USRBKLZVVZHFBX-RKDXNWHRSA-N 0 3 268.317 -1.005 20 0 CAADHN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000674824395 545600562 /nfs/dbraw/zinc/60/05/62/545600562.db2.gz USRBKLZVVZHFBX-RKDXNWHRSA-N 0 3 268.317 -1.005 20 0 CAADHN O[C@@H](COC[C@H]1CCCO1)CN1C[C@@H](O)[C@@H](O)C1 ZINC000676490115 545602440 /nfs/dbraw/zinc/60/24/40/545602440.db2.gz SKWLBSUUFMVDFA-KKOKHZNYSA-N 0 3 261.318 -1.420 20 0 CAADHN O[C@H](COC[C@@H]1CCCO1)CN1C[C@@H](O)[C@@H](O)C1 ZINC000676490112 545602672 /nfs/dbraw/zinc/60/26/72/545602672.db2.gz SKWLBSUUFMVDFA-FIQHERPVSA-N 0 3 261.318 -1.420 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCCNC(=O)C2CC2)C1 ZINC000358655027 283164185 /nfs/dbraw/zinc/16/41/85/283164185.db2.gz ALQXGVIWISMBGM-ZDUSSCGKSA-N 0 3 284.360 -1.122 20 0 CAADHN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1nnc[nH]1 ZINC000676527937 545603108 /nfs/dbraw/zinc/60/31/08/545603108.db2.gz JFFUGDXPODYFTD-LLVKDONJSA-N 0 3 294.359 -1.059 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CNC(=O)C1CC1 ZINC000676998663 545603394 /nfs/dbraw/zinc/60/33/94/545603394.db2.gz ZGUPQOOHOBSOJH-GFCCVEGCSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C[C@H](O)Cn1cccn1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192093051 781934956 /nfs/dbraw/zinc/93/49/56/781934956.db2.gz GBXCFARFWCCCBW-QWRGUYRKSA-N 0 3 295.343 -1.738 20 0 CAADHN CNC(=O)[C@@H](C)CN(C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000219030876 290527301 /nfs/dbraw/zinc/52/73/01/290527301.db2.gz GVGONSOZXZDDTG-ONGXEEELSA-N 0 3 286.376 -1.074 20 0 CAADHN C[C@H]1C[C@H](NC(=O)CNC(=O)CN)CN1C1CC1 ZINC000347662770 291134640 /nfs/dbraw/zinc/13/46/40/291134640.db2.gz FCBXRIHLLVHBBR-IUCAKERBSA-N 0 3 254.334 -1.197 20 0 CAADHN NC(=O)[C@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC000184801067 283347836 /nfs/dbraw/zinc/34/78/36/283347836.db2.gz DUVVRNSVFLNKQQ-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)N[C@H]1CCN(CCCC(=O)NC(N)=O)C1 ZINC000342362301 283375161 /nfs/dbraw/zinc/37/51/61/283375161.db2.gz ZWYDZQUJPPTWFA-QMMMGPOBSA-N 0 3 271.321 -1.035 20 0 CAADHN COC(=O)N(C)CC(=O)N1CCN(C)C[C@H]1CN ZINC000496322657 291174597 /nfs/dbraw/zinc/17/45/97/291174597.db2.gz JBVAPVQGNFTPFX-SECBINFHSA-N 0 3 258.322 -1.214 20 0 CAADHN COC(=O)NC(C)(C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000496749016 291190254 /nfs/dbraw/zinc/19/02/54/291190254.db2.gz ADLFZOODMNZILC-IUCAKERBSA-N 0 3 298.343 -1.109 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1nc(N(C)C)no1 ZINC000574085473 334991049 /nfs/dbraw/zinc/99/10/49/334991049.db2.gz AQDKDYYHXRKXNE-JTQLQIEISA-N 0 3 298.347 -1.149 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001192172260 781937319 /nfs/dbraw/zinc/93/73/19/781937319.db2.gz MBBKHGRYTDUENW-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN CNS(=O)(=O)[C@H]1CCN(C[C@@H]2CNC(=O)C2)C1 ZINC001192391263 781941326 /nfs/dbraw/zinc/94/13/26/781941326.db2.gz RFQKGVVLTDZHQS-IUCAKERBSA-N 0 3 261.347 -1.254 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001192377971 781942055 /nfs/dbraw/zinc/94/20/55/781942055.db2.gz QBRNVKDSMRNGCT-UTUOFQBUSA-N 0 3 299.371 -1.351 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192443847 781944625 /nfs/dbraw/zinc/94/46/25/781944625.db2.gz DLPRPCRKLLYERK-DJLDLDEBSA-N 0 3 258.322 -1.387 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001192452339 781946882 /nfs/dbraw/zinc/94/68/82/781946882.db2.gz FBWOXQUWOIFHGS-IJLUTSLNSA-N 0 3 299.371 -1.147 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001192452340 781947219 /nfs/dbraw/zinc/94/72/19/781947219.db2.gz FBWOXQUWOIFHGS-QJPTWQEYSA-N 0 3 299.371 -1.147 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001192462823 781947740 /nfs/dbraw/zinc/94/77/40/781947740.db2.gz KOELJALARUASDD-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CCn2ccnn2)C1 ZINC001192546257 781948486 /nfs/dbraw/zinc/94/84/86/781948486.db2.gz FJOJIFPTZZOXND-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN COCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192560887 781949301 /nfs/dbraw/zinc/94/93/01/781949301.db2.gz UOGMEJGOZVONBP-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@@H](NC(=O)CN1CCN[C@@H](C)C1)C(=O)N(C)C ZINC000430919969 296048533 /nfs/dbraw/zinc/04/85/33/296048533.db2.gz SMNNSWHBIKLDGY-VHSXEESVSA-N 0 3 256.350 -1.127 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001192685669 781954234 /nfs/dbraw/zinc/95/42/34/781954234.db2.gz DLHNMBNDWBPTKD-NXEZZACHSA-N 0 3 272.349 -1.125 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001192752033 781957561 /nfs/dbraw/zinc/95/75/61/781957561.db2.gz SAUSSEVVIJHBBZ-GHMZBOCLSA-N 0 3 297.359 -1.147 20 0 CAADHN C[C@@H](NC(=O)NC[C@@]1(O)CCN(C)C1)C(=O)N(C)C ZINC000358692617 296082398 /nfs/dbraw/zinc/08/23/98/296082398.db2.gz ZLOSNHDVEFTCDQ-SKDRFNHKSA-N 0 3 272.349 -1.171 20 0 CAADHN CN(C)CCn1cc(NC(=O)NCC(=O)NCCO)cn1 ZINC000677618320 545605374 /nfs/dbraw/zinc/60/53/74/545605374.db2.gz WIGPZLTUPSFAEE-UHFFFAOYSA-N 0 3 298.347 -1.325 20 0 CAADHN NC(=O)c1cc(NC(=O)[C@@H]2CN3CCN2CCC3)n[nH]1 ZINC000677918411 545605631 /nfs/dbraw/zinc/60/56/31/545605631.db2.gz BRKVUCXBQJCOQT-VIFPVBQESA-N 0 3 278.316 -1.163 20 0 CAADHN CCNC(=O)CN(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000677867036 545606402 /nfs/dbraw/zinc/60/64/02/545606402.db2.gz UCBXEQQZKWRCPH-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN NC(=O)N[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000677944780 545605941 /nfs/dbraw/zinc/60/59/41/545605941.db2.gz YNHMBKWOHWIDRV-QWRGUYRKSA-N 0 3 281.360 -1.355 20 0 CAADHN CN(C)CCn1ccc(C(=O)NCc2nnn(C)n2)n1 ZINC000574218077 335001792 /nfs/dbraw/zinc/00/17/92/335001792.db2.gz XGZGXNLDZYVIID-UHFFFAOYSA-N 0 3 278.320 -1.102 20 0 CAADHN C[C@H](CC(N)=O)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000677895295 545606763 /nfs/dbraw/zinc/60/67/63/545606763.db2.gz CVQOBGZGJDFOIP-NXEZZACHSA-N 0 3 254.334 -1.244 20 0 CAADHN O=C(NCCN1C(=O)CNC1=O)[C@H]1CN2CCN1CCC2 ZINC000677890169 545606486 /nfs/dbraw/zinc/60/64/86/545606486.db2.gz GJHQXNAITAZUJY-SNVBAGLBSA-N 0 3 295.343 -1.956 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CCO1 ZINC000574308225 335008957 /nfs/dbraw/zinc/00/89/57/335008957.db2.gz VAVSTMKATCSRPE-WDEREUQCSA-N 0 3 284.360 -1.665 20 0 CAADHN COCCNCCNC(=O)N(C)CCNC(C)=O ZINC000574319555 335010149 /nfs/dbraw/zinc/01/01/49/335010149.db2.gz XJNSFYIAKPGDLX-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)[C@@H]1COC[C@H]1O ZINC000574337766 335012116 /nfs/dbraw/zinc/01/21/16/335012116.db2.gz WULOQNMUAJOYBY-QJPTWQEYSA-N 0 3 262.350 -1.383 20 0 CAADHN COC(=O)[C@@H]1CNC(=O)CN1C[C@@H](O)CN(C)C1CC1 ZINC000352356443 284130057 /nfs/dbraw/zinc/13/00/57/284130057.db2.gz HKZGRQRFKCWTHJ-QWRGUYRKSA-N 0 3 285.344 -1.585 20 0 CAADHN CN(C)C(=O)N1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000576584752 335222527 /nfs/dbraw/zinc/22/25/27/335222527.db2.gz PBGRICDCNODRBC-UHFFFAOYSA-N 0 3 285.348 -1.771 20 0 CAADHN C[C@@H](O)CN(CCCS(N)(=O)=O)[C@@H](C)CO ZINC000190831675 296179899 /nfs/dbraw/zinc/17/98/99/296179899.db2.gz POVKHPVCZBGBBF-DTWKUNHWSA-N 0 3 254.352 -1.271 20 0 CAADHN C[C@@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000336663499 296182418 /nfs/dbraw/zinc/18/24/18/296182418.db2.gz SIEIXSLSZHUSQI-RKDXNWHRSA-N 0 3 251.352 -1.128 20 0 CAADHN CN(C)C1(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC000616340414 372762022 /nfs/dbraw/zinc/76/20/22/372762022.db2.gz AUECVWHMSWZULL-GMTAPVOTSA-N 0 3 270.329 -1.390 20 0 CAADHN N[C@@H]1C[C@H]2CN(CC(=O)N3CCNC(=O)C3)CCN2C1=O ZINC000583946290 372763743 /nfs/dbraw/zinc/76/37/43/372763743.db2.gz WFDWPIVEYRKDMW-VHSXEESVSA-N 0 3 295.343 -2.811 20 0 CAADHN N[C@H]1C[C@@H]2CN(CC(=O)N3CCNC(=O)C3)CCN2C1=O ZINC000583946291 372764221 /nfs/dbraw/zinc/76/42/21/372764221.db2.gz WFDWPIVEYRKDMW-ZJUUUORDSA-N 0 3 295.343 -2.811 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)NCCOCCN(C)C ZINC000233708119 372790559 /nfs/dbraw/zinc/79/05/59/372790559.db2.gz SDEYPBGXOKGEBM-SECBINFHSA-N 0 3 261.322 -1.429 20 0 CAADHN C[C@H](C(=O)NC1CC1)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000584005436 372791877 /nfs/dbraw/zinc/79/18/77/372791877.db2.gz UEDGJLURTICJOI-DVVUODLYSA-N 0 3 266.345 -1.103 20 0 CAADHN C[C@H](C(=O)NC1CC1)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000584005437 372792165 /nfs/dbraw/zinc/79/21/65/372792165.db2.gz UEDGJLURTICJOI-FBIMIBRVSA-N 0 3 266.345 -1.103 20 0 CAADHN C[C@H](C(=O)NC1CC1)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000584005439 372792466 /nfs/dbraw/zinc/79/24/66/372792466.db2.gz UEDGJLURTICJOI-MIMYLULJSA-N 0 3 266.345 -1.103 20 0 CAADHN COC[C@@H](C)S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000399665898 372769070 /nfs/dbraw/zinc/76/90/70/372769070.db2.gz AWHRLDODLPHVCU-NXEZZACHSA-N 0 3 265.379 -1.074 20 0 CAADHN CS(=O)(=O)CCCS(=O)(=O)NC1CNC1 ZINC000309644830 372776660 /nfs/dbraw/zinc/77/66/60/372776660.db2.gz PWMUWEZKRBUDKT-UHFFFAOYSA-N 0 3 256.349 -1.688 20 0 CAADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000643576974 372777240 /nfs/dbraw/zinc/77/72/40/372777240.db2.gz VGDJPMYIUWZPEJ-VXGBXAGGSA-N 0 3 298.387 -1.683 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCNC(=O)C2)[C@H](CN)C1 ZINC000643577444 372777285 /nfs/dbraw/zinc/77/72/85/372777285.db2.gz HPQFNNBPLGAEIQ-SECBINFHSA-N 0 3 283.332 -2.954 20 0 CAADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C(=O)C2)[C@@H]1CN ZINC000643593288 372779226 /nfs/dbraw/zinc/77/92/26/372779226.db2.gz YAYFNUNMRKZVLI-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C(=O)C2)[C@H]1CN ZINC000643593286 372779819 /nfs/dbraw/zinc/77/98/19/372779819.db2.gz YAYFNUNMRKZVLI-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000232282923 372779847 /nfs/dbraw/zinc/77/98/47/372779847.db2.gz BEAFOSGJAYIBME-FOGDFJRCSA-N 0 3 296.371 -1.177 20 0 CAADHN CC[C@@H](O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533382116 372781117 /nfs/dbraw/zinc/78/11/17/372781117.db2.gz BBGSFXNRMHVFFS-WOPDTQHZSA-N 0 3 292.401 -1.155 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NCC2COC2)n1 ZINC000624677213 372782815 /nfs/dbraw/zinc/78/28/15/372782815.db2.gz JKRGJEARMHGKTA-UHFFFAOYSA-N 0 3 282.348 -1.580 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@H]2C[C@@H](O)C2)n1 ZINC000624667152 372783161 /nfs/dbraw/zinc/78/31/61/372783161.db2.gz FDNOXWIFNOCJMT-AOOOYVTPSA-N 0 3 296.375 -1.455 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)NC1CNC1 ZINC000642758443 372821825 /nfs/dbraw/zinc/82/18/25/372821825.db2.gz NHTCIDNDSMCFCC-LLVKDONJSA-N 0 3 284.360 -1.699 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CN1CCCNC1=O ZINC000533569530 372800962 /nfs/dbraw/zinc/80/09/62/372800962.db2.gz DMKRJTINRXKTMS-LBPRGKRZSA-N 0 3 272.349 -1.170 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CC(NS(C)(=O)=O)C1 ZINC000634650386 372802077 /nfs/dbraw/zinc/80/20/77/372802077.db2.gz KIOMPRAIEIZQKM-LLVKDONJSA-N 0 3 295.405 -1.841 20 0 CAADHN CN(C[C@@H](O)CN1CC(NS(C)(=O)=O)C1)C1CC1 ZINC000634650727 372802940 /nfs/dbraw/zinc/80/29/40/372802940.db2.gz STAZNQFZNYUUOP-LLVKDONJSA-N 0 3 277.390 -1.325 20 0 CAADHN COCCNCCNC(=O)CN1CCNCC1=O ZINC000237277332 372804350 /nfs/dbraw/zinc/80/43/50/372804350.db2.gz GJXQXYHZHKVXRW-UHFFFAOYSA-N 0 3 258.322 -2.230 20 0 CAADHN CN1CCC[C@H](CNC(=O)CN2CCNCC2=O)C1 ZINC000237123557 372805050 /nfs/dbraw/zinc/80/50/50/372805050.db2.gz WYEGZFVVDXATNV-LLVKDONJSA-N 0 3 268.361 -1.124 20 0 CAADHN C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)N(C)C ZINC000046273114 372805207 /nfs/dbraw/zinc/80/52/07/372805207.db2.gz UGGKFXJBIQSXBN-MRVPVSSYSA-N 0 3 256.306 -1.053 20 0 CAADHN C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)N(C)C ZINC000046273112 372805441 /nfs/dbraw/zinc/80/54/41/372805441.db2.gz UGGKFXJBIQSXBN-QMMMGPOBSA-N 0 3 256.306 -1.053 20 0 CAADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)CNC2CC2)CC1 ZINC000236622972 372806185 /nfs/dbraw/zinc/80/61/85/372806185.db2.gz YGONJZYTPGDMTI-UHFFFAOYSA-N 0 3 296.371 -1.066 20 0 CAADHN CN1CCN(C(=O)CN2CCCC2=O)[C@H](CN)C1 ZINC000120771269 372806213 /nfs/dbraw/zinc/80/62/13/372806213.db2.gz WRMALZLSKHXOAZ-SNVBAGLBSA-N 0 3 254.334 -1.290 20 0 CAADHN NC1(C(=O)N2CCN(S(N)(=O)=O)CC2)CCC1 ZINC000148016659 372807584 /nfs/dbraw/zinc/80/75/84/372807584.db2.gz FUIDRUINGFXLSM-UHFFFAOYSA-N 0 3 262.335 -1.785 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CNC2)CN1C1CC1 ZINC000642718076 372807864 /nfs/dbraw/zinc/80/78/64/372807864.db2.gz AQDQRJQRZLTVSS-RKDXNWHRSA-N 0 3 266.345 -1.184 20 0 CAADHN CN1CCN(S(=O)(=O)N2CCOCC2)[C@H](CN)C1 ZINC000122680620 372808113 /nfs/dbraw/zinc/80/81/13/372808113.db2.gz JFBIRWDGEAIIPJ-SNVBAGLBSA-N 0 3 278.378 -1.862 20 0 CAADHN Cn1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cn1 ZINC000122678483 372808720 /nfs/dbraw/zinc/80/87/20/372808720.db2.gz BBWTWBZSZJEKBH-VIFPVBQESA-N 0 3 273.362 -1.317 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC000625363310 372814956 /nfs/dbraw/zinc/81/49/56/372814956.db2.gz UZOZXESILBPMRQ-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN CN1CCN(C[C@@H](O)CNCC(F)(F)CO)CC1 ZINC000584053612 372815051 /nfs/dbraw/zinc/81/50/51/372815051.db2.gz RNXHDJOURJKCOD-JTQLQIEISA-N 0 3 267.320 -1.188 20 0 CAADHN CCN1C[C@H](CNc2nc(N)nc(N)n2)CC1=O ZINC000624350775 372854668 /nfs/dbraw/zinc/85/46/68/372854668.db2.gz OCLJEYYFMPJOIV-LURJTMIESA-N 0 3 251.294 -1.601 20 0 CAADHN CN(C)CCN1CCN(C(=O)C[C@H]2CC(=O)N2)CC1=O ZINC000616519802 372830243 /nfs/dbraw/zinc/83/02/43/372830243.db2.gz VRHWMLAVIUDLJP-SNVBAGLBSA-N 0 3 282.344 -1.503 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCNC2=O)CC1=O ZINC000616519624 372830421 /nfs/dbraw/zinc/83/04/21/372830421.db2.gz SDAVDEAKGFVZNV-SNVBAGLBSA-N 0 3 282.344 -1.645 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1=O ZINC000616519831 372830434 /nfs/dbraw/zinc/83/04/34/372830434.db2.gz WPAMDBRJHOOFFU-JTQLQIEISA-N 0 3 297.359 -1.758 20 0 CAADHN CC(C)(CNC(=O)CN1CCCC[C@H](N)C1=O)C(N)=O ZINC000643647196 372830450 /nfs/dbraw/zinc/83/04/50/372830450.db2.gz OFBFHFDWAMNTTO-VIFPVBQESA-N 0 3 284.360 -1.046 20 0 CAADHN CNC(=O)NC(=O)CCN1CC[C@H]2OCCN[C@@H]2C1 ZINC000404222992 372838649 /nfs/dbraw/zinc/83/86/49/372838649.db2.gz LZMRCNFDKATXKY-NXEZZACHSA-N 0 3 270.333 -1.105 20 0 CAADHN CNC(=O)NC(=O)CCN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000404222995 372838886 /nfs/dbraw/zinc/83/88/86/372838886.db2.gz LZMRCNFDKATXKY-ZJUUUORDSA-N 0 3 270.333 -1.105 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN(CCO)C[C@@H]1C ZINC000568181075 372839225 /nfs/dbraw/zinc/83/92/25/372839225.db2.gz JUZRRWPTCJCDKB-KBPBESRZSA-N 0 3 289.420 -1.076 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)CN2CCCC[C@H](N)C2=O)CCO1 ZINC000643671082 372841239 /nfs/dbraw/zinc/84/12/39/372841239.db2.gz UJWNRULGHLEPHW-UWVGGRQHSA-N 0 3 298.343 -1.961 20 0 CAADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C(=O)C2)C1 ZINC000556795359 372841729 /nfs/dbraw/zinc/84/17/29/372841729.db2.gz ICSRIMNPJZVHOU-NSHDSACASA-N 0 3 296.371 -1.160 20 0 CAADHN CN(C)C1(CNC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000622721458 372842017 /nfs/dbraw/zinc/84/20/17/372842017.db2.gz RQLVTHIIWDESQU-UHFFFAOYSA-N 0 3 280.328 -1.243 20 0 CAADHN CN(C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1COC[C@H]1O ZINC000556831161 372843092 /nfs/dbraw/zinc/84/30/92/372843092.db2.gz YVOSTWOEOFJRMM-HBNTYKKESA-N 0 3 278.374 -1.041 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)[C@@H]1COC[C@H]1O ZINC000556831087 372844071 /nfs/dbraw/zinc/84/40/71/372844071.db2.gz KRRQMEDMIFPSKE-IJLUTSLNSA-N 0 3 260.334 -1.629 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCO3)CCN2C1=O ZINC000568268039 372846016 /nfs/dbraw/zinc/84/60/16/372846016.db2.gz QKEFHBCZZLGYRC-IVZWLZJFSA-N 0 3 253.302 -1.064 20 0 CAADHN Nc1nc(N)nc(N[C@H](CO)[C@@H]2CCCOC2)n1 ZINC000624279634 372846722 /nfs/dbraw/zinc/84/67/22/372846722.db2.gz YFFKACFHGRWHIF-RNFRBKRXSA-N 0 3 254.294 -1.682 20 0 CAADHN Nc1nc(N)nc(N[C@H]2CCc3nnnn3CC2)n1 ZINC000624288522 372848792 /nfs/dbraw/zinc/84/87/92/372848792.db2.gz OSLCXGGUISDLBZ-YFKPBYRVSA-N 0 3 262.281 -2.078 20 0 CAADHN C[C@](O)(C[C@H](O)CNCCN1CCNC(=O)C1)C1CC1 ZINC000634710792 372851549 /nfs/dbraw/zinc/85/15/49/372851549.db2.gz DZIQFVGKZNOQQC-JSGCOSHPSA-N 0 3 285.388 -1.080 20 0 CAADHN Nc1nc(N)nc(NC2CC(N3CCOCC3)C2)n1 ZINC000624332948 372851643 /nfs/dbraw/zinc/85/16/43/372851643.db2.gz DETAKIZMMVVZTK-UHFFFAOYSA-N 0 3 265.321 -1.606 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000057703251 372852923 /nfs/dbraw/zinc/85/29/23/372852923.db2.gz FIKAYTOQTFIYQM-VIFPVBQESA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@](O)(C[C@@H](O)CNCCN1CCNC(=O)C1)C1CC1 ZINC000634710794 372853093 /nfs/dbraw/zinc/85/30/93/372853093.db2.gz DZIQFVGKZNOQQC-TZMCWYRMSA-N 0 3 285.388 -1.080 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC000616478197 372828103 /nfs/dbraw/zinc/82/81/03/372828103.db2.gz MSUROSLHKIXRIK-NXEZZACHSA-N 0 3 297.359 -1.412 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)N(C)C ZINC000616489287 372828123 /nfs/dbraw/zinc/82/81/23/372828123.db2.gz URRSNRXYDLNPIU-VHSXEESVSA-N 0 3 292.405 -1.032 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000616478200 372828457 /nfs/dbraw/zinc/82/84/57/372828457.db2.gz MSUROSLHKIXRIK-ZJUUUORDSA-N 0 3 297.359 -1.412 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C[C@H](O)CO)c1)N(C)C ZINC000616489025 372828608 /nfs/dbraw/zinc/82/86/08/372828608.db2.gz IETSCMYXBPVSGA-ONGXEEELSA-N 0 3 270.333 -1.084 20 0 CAADHN CNC(=O)CCNC(=O)CN1CCCC[C@H](N)C1=O ZINC000643643740 372828787 /nfs/dbraw/zinc/82/87/87/372828787.db2.gz JDUSSHDPQITGQX-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC(=O)N1 ZINC000616478583 372828864 /nfs/dbraw/zinc/82/88/64/372828864.db2.gz WMXPOJZPKFEYOM-BDAKNGLRSA-N 0 3 268.317 -1.547 20 0 CAADHN COC(=O)COCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000600397722 372865354 /nfs/dbraw/zinc/86/53/54/372865354.db2.gz MWZYOOYBKBSWLV-NSHDSACASA-N 0 3 285.344 -1.318 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN2CCCO)O1 ZINC000627570823 372874187 /nfs/dbraw/zinc/87/41/87/372874187.db2.gz XCSVRCRGMVBCQF-SDDRHHMPSA-N 0 3 299.371 -1.018 20 0 CAADHN CN(C)CC[C@@](C)(O)CNC(=O)C1(n2cnnn2)CC1 ZINC000621960583 372874295 /nfs/dbraw/zinc/87/42/95/372874295.db2.gz ZVZJZERFBCASJP-LLVKDONJSA-N 0 3 282.348 -1.019 20 0 CAADHN C[C@@H]1[C@H](Nc2nc(N)nc(N)n2)CCS1(=O)=O ZINC000624629222 372874410 /nfs/dbraw/zinc/87/44/10/372874410.db2.gz IIKLHDNTQHHJQL-RFZPGFLSSA-N 0 3 258.307 -1.894 20 0 CAADHN COC(=O)C[C@H](O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000600463597 372876166 /nfs/dbraw/zinc/87/61/66/372876166.db2.gz MOIMEROHOCUXOV-QWRGUYRKSA-N 0 3 285.344 -1.584 20 0 CAADHN COC(=O)C[C@@H](O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000600463595 372876785 /nfs/dbraw/zinc/87/67/85/372876785.db2.gz MOIMEROHOCUXOV-MNOVXSKESA-N 0 3 285.344 -1.584 20 0 CAADHN O=C(CN1CCNCC1)N1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000634739385 372877953 /nfs/dbraw/zinc/87/79/53/372877953.db2.gz SMGOAWGUXLFJAB-MNOVXSKESA-N 0 3 266.345 -1.229 20 0 CAADHN C[NH2+]CCOCC[N-]S(=O)(=O)c1cn(C)cn1 ZINC000624395090 372856832 /nfs/dbraw/zinc/85/68/32/372856832.db2.gz DXHHKQBANGLPRL-UHFFFAOYSA-N 0 3 262.335 -1.066 20 0 CAADHN Nc1nc(N)nc(N2CCC(N3CCOCC3)CC2)n1 ZINC000624405190 372858326 /nfs/dbraw/zinc/85/83/26/372858326.db2.gz FGILFNWXAZQBQC-UHFFFAOYSA-N 0 3 279.348 -1.002 20 0 CAADHN CC(C)[C@H](N)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574414421 335018065 /nfs/dbraw/zinc/01/80/65/335018065.db2.gz RIOYHDZNIDMRTB-AEJSXWLSSA-N 0 3 254.334 -1.260 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC000518607058 372888053 /nfs/dbraw/zinc/88/80/53/372888053.db2.gz TVXICQIWJLTCKC-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC000518607057 372888245 /nfs/dbraw/zinc/88/82/45/372888245.db2.gz TVXICQIWJLTCKC-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CC(=O)N1 ZINC000410439180 372889364 /nfs/dbraw/zinc/88/93/64/372889364.db2.gz VPFQEFGJWFFOKI-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)CCNS(=O)(=O)C[C@H]1CNCCO1 ZINC000381257440 372890352 /nfs/dbraw/zinc/89/03/52/372890352.db2.gz QQLYEIOYNRBDDT-SECBINFHSA-N 0 3 251.352 -1.544 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CC(=O)N1 ZINC000410439183 372890610 /nfs/dbraw/zinc/89/06/10/372890610.db2.gz VPFQEFGJWFFOKI-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)S(=O)(=O)CCN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000600711635 372892272 /nfs/dbraw/zinc/89/22/72/372892272.db2.gz SYIBLJKWABWQSD-VHSXEESVSA-N 0 3 290.389 -1.878 20 0 CAADHN CN(C)S(=O)(=O)CCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000600711636 372892530 /nfs/dbraw/zinc/89/25/30/372892530.db2.gz SYIBLJKWABWQSD-ZJUUUORDSA-N 0 3 290.389 -1.878 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000627355963 372894502 /nfs/dbraw/zinc/89/45/02/372894502.db2.gz VAIDSVKSWUMJJT-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000627355960 372895454 /nfs/dbraw/zinc/89/54/54/372895454.db2.gz VAIDSVKSWUMJJT-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000574413768 335018125 /nfs/dbraw/zinc/01/81/25/335018125.db2.gz JVMPTYMAMKTVHJ-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN COCCNCC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400196285 372901021 /nfs/dbraw/zinc/90/10/21/372901021.db2.gz BWRNQKLTTQGMSL-SECBINFHSA-N 0 3 279.362 -1.628 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)N(C)CCN)C[C@@H]1CO ZINC000622031543 372881051 /nfs/dbraw/zinc/88/10/51/372881051.db2.gz PEVMMYKEACVPOG-VHSXEESVSA-N 0 3 257.334 -1.120 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)N(C)CCN)C[C@H]1CO ZINC000622031542 372881216 /nfs/dbraw/zinc/88/12/16/372881216.db2.gz PEVMMYKEACVPOG-UWVGGRQHSA-N 0 3 257.334 -1.120 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N(C)CCN)C[C@@H]1CO ZINC000622031541 372881645 /nfs/dbraw/zinc/88/16/45/372881645.db2.gz PEVMMYKEACVPOG-NXEZZACHSA-N 0 3 257.334 -1.120 20 0 CAADHN CCOCCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000518500722 372883291 /nfs/dbraw/zinc/88/32/91/372883291.db2.gz UFCUBJCHBXAJQY-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN CN(C)CCN1C(=O)C[C@@H](N2CCNC(=O)C2)C1=O ZINC000518576160 372887849 /nfs/dbraw/zinc/88/78/49/372887849.db2.gz LQACVZCULUWGJH-SECBINFHSA-N 0 3 268.317 -1.893 20 0 CAADHN CN(C)C(=O)[C@H]1CC[C@@H](CNc2nc(N)nc(N)n2)O1 ZINC000624084910 372905003 /nfs/dbraw/zinc/90/50/03/372905003.db2.gz XDPZHAUSLRZLOW-NKWVEPMBSA-N 0 3 281.320 -1.834 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@H](CNc2nc(N)nc(N)n2)O1 ZINC000624084912 372905411 /nfs/dbraw/zinc/90/54/11/372905411.db2.gz XDPZHAUSLRZLOW-RQJHMYQMSA-N 0 3 281.320 -1.834 20 0 CAADHN CN1CCN(C(=O)CCN2C[C@H](O)C[C@@H]2CO)CC1 ZINC000338282431 372905806 /nfs/dbraw/zinc/90/58/06/372905806.db2.gz HUZLCWAOZBDPIX-VXGBXAGGSA-N 0 3 271.361 -1.422 20 0 CAADHN CCO[C@@H]1C[C@H](Nc2nc(N)nc(N)n2)[C@@H]1OC ZINC000624101983 372908462 /nfs/dbraw/zinc/90/84/62/372908462.db2.gz HFCIIOGAKXMJNN-XVMARJQXSA-N 0 3 254.294 -1.277 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@H](N)C(C)C)CC1 ZINC000037800940 372909013 /nfs/dbraw/zinc/90/90/13/372909013.db2.gz BBFCLDLPWOIRRC-LLVKDONJSA-N 0 3 256.350 -1.140 20 0 CAADHN NCC(=O)NCC(=O)N1CCN2CCCC[C@H]2C1 ZINC000037812791 372910155 /nfs/dbraw/zinc/91/01/55/372910155.db2.gz NRJQWJNHZQRGGG-JTQLQIEISA-N 0 3 254.334 -1.242 20 0 CAADHN CNCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000237200354 372911420 /nfs/dbraw/zinc/91/14/20/372911420.db2.gz HMWQQKAMRVJOKK-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN CN(C)CCN(C)C(=O)CN1CC(=O)N(C)C1=O ZINC000625969518 372912737 /nfs/dbraw/zinc/91/27/37/372912737.db2.gz HRKVFZVYMNQRNS-UHFFFAOYSA-N 0 3 256.306 -1.100 20 0 CAADHN Cn1cc(S(=O)(=O)NC[C@H]2CNCCO2)cn1 ZINC000050252888 372914300 /nfs/dbraw/zinc/91/43/00/372914300.db2.gz OXVSLWWFPHMMBB-MRVPVSSYSA-N 0 3 260.319 -1.313 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000574413774 335018184 /nfs/dbraw/zinc/01/81/84/335018184.db2.gz JVMPTYMAMKTVHJ-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN C[C@H](C(=O)NC1CC1)N1CCN(C(=O)CN)CC1 ZINC000237396400 372922579 /nfs/dbraw/zinc/92/25/79/372922579.db2.gz INPICRBZFQOWTD-SECBINFHSA-N 0 3 254.334 -1.244 20 0 CAADHN CS[C@H](C)CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000562825900 372952797 /nfs/dbraw/zinc/95/27/97/372952797.db2.gz ZFVXGBNYZWZRDL-NXEZZACHSA-N 0 3 288.417 -1.045 20 0 CAADHN C[C@@H]1[C@@H](CO)CCCN1C(=O)C(=O)NC1CNC1 ZINC000642925893 372926517 /nfs/dbraw/zinc/92/65/17/372926517.db2.gz IOYNWEINRRKQMN-RKDXNWHRSA-N 0 3 255.318 -1.306 20 0 CAADHN CCN1CCC(NC(=O)CN2CCOC[C@H]2C(N)=O)CC1 ZINC000092229575 372952976 /nfs/dbraw/zinc/95/29/76/372952976.db2.gz MEEDKTOXXOBQGD-LBPRGKRZSA-N 0 3 298.387 -1.227 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000562828923 372953000 /nfs/dbraw/zinc/95/30/00/372953000.db2.gz QWTBDHVHOTYXIH-JTQLQIEISA-N 0 3 253.302 -1.288 20 0 CAADHN CN1CCC(NS(=O)(=O)C[C@@H]2CNCCO2)CC1 ZINC000385722166 372930019 /nfs/dbraw/zinc/93/00/19/372930019.db2.gz NESKPHVUTIZTGG-NSHDSACASA-N 0 3 277.390 -1.012 20 0 CAADHN O=C1[N-]C(=O)N2CCN(CC34CC(C3)C[NH2+]4)C[C@H]12 ZINC000634992821 372932214 /nfs/dbraw/zinc/93/22/14/372932214.db2.gz BVLQNRCXQGQGGC-NBBOBHDQSA-N 0 3 250.302 -1.026 20 0 CAADHN CN(C)S(=O)(=O)N1CC(N[C@H]2CCNC(=O)CC2)C1 ZINC000634988183 372932532 /nfs/dbraw/zinc/93/25/32/372932532.db2.gz PAZCNGXIRHWGEG-SECBINFHSA-N 0 3 290.389 -1.265 20 0 CAADHN O=C(NCCCOCCO)[C@@H]1CN2CCN1CCC2 ZINC000376847312 372932895 /nfs/dbraw/zinc/93/28/95/372932895.db2.gz VYXVNCOXCOUECJ-LBPRGKRZSA-N 0 3 271.361 -1.109 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCCN2CCO)O1 ZINC000627574474 372935207 /nfs/dbraw/zinc/93/52/07/372935207.db2.gz GUHYUKDNZUCKMP-SDDRHHMPSA-N 0 3 299.371 -1.018 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)c1nc2n(n1)CCCN2 ZINC000643801273 372935779 /nfs/dbraw/zinc/93/57/79/372935779.db2.gz VZKURFNTYYMKEB-QMMMGPOBSA-N 0 3 266.305 -1.931 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000227370749 372936180 /nfs/dbraw/zinc/93/61/80/372936180.db2.gz FUBCEBQFGUKANF-SSDOTTSWSA-N 0 3 266.323 -2.692 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(C)S(C)(=O)=O ZINC000408440375 372941836 /nfs/dbraw/zinc/94/18/36/372941836.db2.gz BERWKXJADXWRDW-HLTSFMKQSA-N 0 3 293.341 -1.056 20 0 CAADHN CN(C)[C@H]1CN(C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC000562477605 372946898 /nfs/dbraw/zinc/94/68/98/372946898.db2.gz DZMWOFDGTMOMPU-WOPDTQHZSA-N 0 3 254.334 -1.149 20 0 CAADHN C[NH+](C)C(C)(C)CNC(=O)CN1CC(=O)[N-]C1=O ZINC000134499658 372948778 /nfs/dbraw/zinc/94/87/78/372948778.db2.gz GGMSKXIORZOPPB-UHFFFAOYSA-N 0 3 256.306 -1.005 20 0 CAADHN COC(=O)CN(CC(=O)OC)C(=O)C(C)S(C)(=O)=O ZINC000134648636 372949569 /nfs/dbraw/zinc/94/95/69/372949569.db2.gz PVHYWQCGDSLJNQ-SSDOTTSWSA-N 0 3 295.313 -1.406 20 0 CAADHN CO[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000562827984 372951497 /nfs/dbraw/zinc/95/14/97/372951497.db2.gz JRUKRAIJAOQQLW-SDDRHHMPSA-N 0 3 298.387 -1.229 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCN(C)C1=O ZINC000618307873 372959674 /nfs/dbraw/zinc/95/96/74/372959674.db2.gz XHASWMNNCWHWSO-LLVKDONJSA-N 0 3 298.387 -1.057 20 0 CAADHN CC(=O)N(C)CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618304395 372960078 /nfs/dbraw/zinc/96/00/78/372960078.db2.gz ZJJLXSDJCJQHTN-UHFFFAOYSA-N 0 3 286.376 -1.057 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CC(N)=O ZINC000618306131 372960219 /nfs/dbraw/zinc/96/02/19/372960219.db2.gz UKCLCJFVUGDHQK-UHFFFAOYSA-N 0 3 258.322 -1.660 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618308180 372960341 /nfs/dbraw/zinc/96/03/41/372960341.db2.gz AMAGDRBWUKNTQO-JTQLQIEISA-N 0 3 286.376 -1.024 20 0 CAADHN CC[C@@H]1CN(C(=O)CNC(=O)CNC(C)=O)C[C@H](C)N1 ZINC000620904323 372966222 /nfs/dbraw/zinc/96/62/22/372966222.db2.gz LXMJREUUAITUPG-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN COCCN1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000601005445 372966300 /nfs/dbraw/zinc/96/63/00/372966300.db2.gz PTQDDHFSMJJCNI-JTQLQIEISA-N 0 3 298.343 -1.235 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@]1(C)CCNC1=O ZINC000635726740 372966521 /nfs/dbraw/zinc/96/65/21/372966521.db2.gz DXFMYSGZBWTMOL-VXGBXAGGSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@]1(C)CCNC1=O ZINC000635726739 372967416 /nfs/dbraw/zinc/96/74/16/372967416.db2.gz DXFMYSGZBWTMOL-RYUDHWBXSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@]1(C)CCNC1=O ZINC000635726738 372967842 /nfs/dbraw/zinc/96/78/42/372967842.db2.gz DXFMYSGZBWTMOL-NWDGAFQWSA-N 0 3 257.334 -1.059 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@]1(C)CCNC1=O ZINC000635809949 372971780 /nfs/dbraw/zinc/97/17/80/372971780.db2.gz QFLHUUMWAZXRFI-LBPRGKRZSA-N 0 3 257.334 -1.057 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@]2(C)CCN(C)C2=O)C[C@@H]1O ZINC000635948898 372977328 /nfs/dbraw/zinc/97/73/28/372977328.db2.gz UXNRDSFZUQBDPU-OUJBWJOFSA-N 0 3 269.345 -1.012 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@]2(C)CCN(C)C2=O)C[C@@H]1O ZINC000635948897 372977440 /nfs/dbraw/zinc/97/74/40/372977440.db2.gz UXNRDSFZUQBDPU-KWBADKCTSA-N 0 3 269.345 -1.012 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000635964187 372979336 /nfs/dbraw/zinc/97/93/36/372979336.db2.gz RPIBPXLNDAWLDS-DCAQKATOSA-N 0 3 285.344 -1.192 20 0 CAADHN CCOCCN(C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000569712903 372979605 /nfs/dbraw/zinc/97/96/05/372979605.db2.gz IMLMNACWJRUBTK-LLVKDONJSA-N 0 3 286.376 -1.417 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000635964190 372979850 /nfs/dbraw/zinc/97/98/50/372979850.db2.gz RPIBPXLNDAWLDS-VWYCJHECSA-N 0 3 285.344 -1.192 20 0 CAADHN CCOCCN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000569712905 372980524 /nfs/dbraw/zinc/98/05/24/372980524.db2.gz IMLMNACWJRUBTK-NSHDSACASA-N 0 3 286.376 -1.417 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000622631254 372954992 /nfs/dbraw/zinc/95/49/92/372954992.db2.gz JSNGCLWSYZNJFS-JTQLQIEISA-N 0 3 272.349 -1.122 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCNC1=O ZINC000618300650 372957823 /nfs/dbraw/zinc/95/78/23/372957823.db2.gz ZNSHVBLYQDWYEE-SNVBAGLBSA-N 0 3 284.360 -1.399 20 0 CAADHN COCCN1CC[C@H](NC(=O)NCc2nnn(C)n2)C1 ZINC000575427379 372980832 /nfs/dbraw/zinc/98/08/32/372980832.db2.gz PMKNGLYDUYOZLD-VIFPVBQESA-N 0 3 283.336 -1.270 20 0 CAADHN COCCN1C[C@H](C(=O)NC[C@H]2CNCCO2)CC1=O ZINC000570322030 372993539 /nfs/dbraw/zinc/99/35/39/372993539.db2.gz OZCVBFKTOTWBFC-GHMZBOCLSA-N 0 3 285.344 -1.414 20 0 CAADHN O=C(N[C@H]1CCNC1=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000636170575 372994629 /nfs/dbraw/zinc/99/46/29/372994629.db2.gz RACGGGLSXWYGIN-KXUCPTDWSA-N 0 3 253.302 -1.146 20 0 CAADHN O=C(NCCN1C(=O)CNC1=O)[C@@H]1CNCCC1(F)F ZINC000643984011 372994916 /nfs/dbraw/zinc/99/49/16/372994916.db2.gz GQKAWOXEOKRUHY-ZETCQYMHSA-N 0 3 290.270 -1.101 20 0 CAADHN O=C(NCCN1C(=O)CNC1=O)[C@H]1CNCCC1(F)F ZINC000643984007 372995410 /nfs/dbraw/zinc/99/54/10/372995410.db2.gz GQKAWOXEOKRUHY-SSDOTTSWSA-N 0 3 290.270 -1.101 20 0 CAADHN COCCOCCN(C)CCC(=O)N[C@H]1CCNC1=O ZINC000636167866 372995800 /nfs/dbraw/zinc/99/58/00/372995800.db2.gz IINFSHZRWHYNOO-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CC[C@H](CNS(C)(=O)=O)NCCC(=O)NC(N)=O ZINC000570445033 372996214 /nfs/dbraw/zinc/99/62/14/372996214.db2.gz UMJRIXGBZVYSPD-SSDOTTSWSA-N 0 3 280.350 -1.511 20 0 CAADHN N[C@H]1C[C@H]2CN(CCC(=O)N3CCNCC3)CCN2C1=O ZINC000570643893 373000066 /nfs/dbraw/zinc/00/00/66/373000066.db2.gz BUSRCIAJDAQCSW-RYUDHWBXSA-N 0 3 295.387 -1.948 20 0 CAADHN CN1CCC[C@H](N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1=O ZINC000572781122 373000992 /nfs/dbraw/zinc/00/09/92/373000992.db2.gz CGEWTBTYBOTHLB-AXFHLTTASA-N 0 3 266.345 -1.149 20 0 CAADHN CC(=O)[C@@H](NC(=O)CN(CCN)CCO)C(C)C ZINC000570803586 373002034 /nfs/dbraw/zinc/00/20/34/373002034.db2.gz ZVTHEMLCXWURQL-LBPRGKRZSA-N 0 3 259.350 -1.031 20 0 CAADHN CN1CCC[C@H](N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1=O ZINC000572781125 373002409 /nfs/dbraw/zinc/00/24/09/373002409.db2.gz CGEWTBTYBOTHLB-VWYCJHECSA-N 0 3 266.345 -1.149 20 0 CAADHN CN(C)[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1O ZINC000570873851 373003992 /nfs/dbraw/zinc/00/39/92/373003992.db2.gz VSKQGWQRSUDBSY-YUMQZZPRSA-N 0 3 251.290 -1.194 20 0 CAADHN CNC(=O)C1(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000570889786 373004900 /nfs/dbraw/zinc/00/49/00/373004900.db2.gz YLUKDFCBDHCAKT-IUCAKERBSA-N 0 3 255.318 -1.354 20 0 CAADHN NC(=O)[C@H](O)CNC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000574916896 373006694 /nfs/dbraw/zinc/00/66/94/373006694.db2.gz KGGUNWGYHQPBRO-WCBMZHEXSA-N 0 3 298.295 -1.409 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1CCN1 ZINC000575047341 373007205 /nfs/dbraw/zinc/00/72/05/373007205.db2.gz MWOUBIXVXUJKOK-SFYZADRCSA-N 0 3 255.274 -1.762 20 0 CAADHN NC(=O)[C@@H](O)CNC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000574916897 373008649 /nfs/dbraw/zinc/00/86/49/373008649.db2.gz KGGUNWGYHQPBRO-WPRPVWTQSA-N 0 3 298.295 -1.409 20 0 CAADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N(C)CC[NH3+])cn1C ZINC000569809473 372982775 /nfs/dbraw/zinc/98/27/75/372982775.db2.gz LFWARWNIEVPRBU-UHFFFAOYSA-N 0 3 289.361 -1.576 20 0 CAADHN CN1CCN(C(=O)NCCN2CCCC2=O)[C@@H](CN)C1 ZINC000569817554 372983009 /nfs/dbraw/zinc/98/30/09/372983009.db2.gz PIHMIRDGOUYWLS-NSHDSACASA-N 0 3 283.376 -1.107 20 0 CAADHN Nc1nc(N)nc(NCc2nnnn2CC2CC2)n1 ZINC000624107989 372983176 /nfs/dbraw/zinc/98/31/76/372983176.db2.gz DPXVBJUPNSEGBX-UHFFFAOYSA-N 0 3 262.281 -1.873 20 0 CAADHN C[C@@H](CCN1CCN(C)CC1)Nc1nc(N)nc(N)n1 ZINC000624108934 372985352 /nfs/dbraw/zinc/98/53/52/372985352.db2.gz IWEMEBHWPLOBQS-VIFPVBQESA-N 0 3 280.380 -1.443 20 0 CAADHN COCC[C@H](C)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000569949436 372985398 /nfs/dbraw/zinc/98/53/98/372985398.db2.gz RYCXPUHIGGSRPA-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000569985966 372986247 /nfs/dbraw/zinc/98/62/47/372986247.db2.gz VRXXXABWODORNE-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN COCC[C@H](C)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000569949437 372986298 /nfs/dbraw/zinc/98/62/98/372986298.db2.gz RYCXPUHIGGSRPA-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000569939731 372986452 /nfs/dbraw/zinc/98/64/52/372986452.db2.gz DJQUPVIXBPOGEM-YUMQZZPRSA-N 0 3 280.350 -2.827 20 0 CAADHN CN1CCN(C(=O)Cn2ccccc2=O)[C@@H](CN)C1 ZINC000570089382 372987276 /nfs/dbraw/zinc/98/72/76/372987276.db2.gz IEHBMCRRDFHOSK-NSHDSACASA-N 0 3 264.329 -1.050 20 0 CAADHN CC(C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000570058510 372988329 /nfs/dbraw/zinc/98/83/29/372988329.db2.gz WVZOPWHVWXAUGA-WDEREUQCSA-N 0 3 296.371 -1.081 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CC(=O)NCC3CC3)CCN2C1=O ZINC000570107312 372988351 /nfs/dbraw/zinc/98/83/51/372988351.db2.gz LDRINWQLFLFACW-GHMZBOCLSA-N 0 3 266.345 -1.244 20 0 CAADHN COC(=O)CC[C@H](N)C(=O)N1CCOC[C@H]1C(=O)OC ZINC000570214514 372990971 /nfs/dbraw/zinc/99/09/71/372990971.db2.gz RTDPPHGHIIWRJP-IUCAKERBSA-N 0 3 288.300 -1.333 20 0 CAADHN COC(=O)CC[C@@H](N)C(=O)N1CCOC[C@H]1C(=O)OC ZINC000570214511 372990990 /nfs/dbraw/zinc/99/09/90/372990990.db2.gz RTDPPHGHIIWRJP-BDAKNGLRSA-N 0 3 288.300 -1.333 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000570174522 372991254 /nfs/dbraw/zinc/99/12/54/372991254.db2.gz CABGFDKTCPBTCW-JTQLQIEISA-N 0 3 292.405 -1.160 20 0 CAADHN CCN(C)C[C@H](O)Cn1nnc2c(cnn2C)c1=O ZINC000388725631 373026249 /nfs/dbraw/zinc/02/62/49/373026249.db2.gz JPOOHSZYJHLYTE-QMMMGPOBSA-N 0 3 266.305 -1.162 20 0 CAADHN COCCO[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624142677 373028503 /nfs/dbraw/zinc/02/85/03/373028503.db2.gz CINFZNHPFZCSPR-ZETCQYMHSA-N 0 3 254.294 -1.062 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000582041076 373029252 /nfs/dbraw/zinc/02/92/52/373029252.db2.gz WMKSOBSMVFDKKO-JBLDHEPKSA-N 0 3 260.334 -1.093 20 0 CAADHN CN1CCN(C(=O)C(=O)NCc2ccoc2)[C@@H](CN)C1 ZINC000582052874 373029827 /nfs/dbraw/zinc/02/98/27/373029827.db2.gz IWQWNSIUESMKDF-NSHDSACASA-N 0 3 280.328 -1.003 20 0 CAADHN CCN1CCN(CC(=O)NCCN(C)C2CC2)C(=O)C1=O ZINC000109068669 373033870 /nfs/dbraw/zinc/03/38/70/373033870.db2.gz WOVSMKZBROHONM-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN COCCN(C)CCNC(=O)N1C[C@H](O)C[C@@H]1CO ZINC000364045322 373034032 /nfs/dbraw/zinc/03/40/32/373034032.db2.gz ZNCNXPUVDFILDV-GHMZBOCLSA-N 0 3 275.349 -1.298 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000364145530 373034554 /nfs/dbraw/zinc/03/45/54/373034554.db2.gz GRGDWCXGBOMCNK-SNVBAGLBSA-N 0 3 290.389 -1.958 20 0 CAADHN COCCN(C)CCNC(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000364045323 373035260 /nfs/dbraw/zinc/03/52/60/373035260.db2.gz ZNCNXPUVDFILDV-MNOVXSKESA-N 0 3 275.349 -1.298 20 0 CAADHN CN1CCN(C(=O)CCN2CC(C)(C(N)=O)C2)CC1 ZINC000563067971 373036688 /nfs/dbraw/zinc/03/66/88/373036688.db2.gz JLSLSNAUSUKCCI-UHFFFAOYSA-N 0 3 268.361 -1.042 20 0 CAADHN Nc1nc(N)nc(N2CCN(C[C@@H]3CCOC3)CC2)n1 ZINC000624024772 373037726 /nfs/dbraw/zinc/03/77/26/373037726.db2.gz YDHYLCIZWZRORB-VIFPVBQESA-N 0 3 279.348 -1.145 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000187702371 373012846 /nfs/dbraw/zinc/01/28/46/373012846.db2.gz CGHMDPRZUJCVGV-UHFFFAOYSA-N 0 3 284.360 -1.257 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)[C@@H]1CCNC1=O ZINC000580211906 373014849 /nfs/dbraw/zinc/01/48/49/373014849.db2.gz OVTCMDYACSNREI-GHMZBOCLSA-N 0 3 259.350 -1.254 20 0 CAADHN COC(=O)CNC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000590012300 373018537 /nfs/dbraw/zinc/01/85/37/373018537.db2.gz QJTZBANIADSJLB-NXEZZACHSA-N 0 3 255.318 -1.089 20 0 CAADHN COC(=O)CNC(=O)CN1CC[C@H]2CN(C)C[C@@H]21 ZINC000590012301 373019117 /nfs/dbraw/zinc/01/91/17/373019117.db2.gz QJTZBANIADSJLB-UWVGGRQHSA-N 0 3 255.318 -1.089 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCO[C@@H](C(=O)OC)C1 ZINC000312922471 373019300 /nfs/dbraw/zinc/01/93/00/373019300.db2.gz MOUYHXLBWMJRNJ-VXGBXAGGSA-N 0 3 290.360 -1.201 20 0 CAADHN C[C@@H]1CN(c2nc(N)nc(N)n2)CCN1CCO ZINC000624123932 373020566 /nfs/dbraw/zinc/02/05/66/373020566.db2.gz UCWBFUZLTWVHRW-SSDOTTSWSA-N 0 3 253.310 -1.800 20 0 CAADHN CN1CCC[C@@H](NC(=O)C(=O)NCC(F)(F)CN)C1 ZINC000642994808 373020756 /nfs/dbraw/zinc/02/07/56/373020756.db2.gz FPCMZBVHZNDSBK-MRVPVSSYSA-N 0 3 278.303 -1.093 20 0 CAADHN CNS(=O)(=O)CCCN(CCO)CCCO ZINC000111245103 373048392 /nfs/dbraw/zinc/04/83/92/373048392.db2.gz KJSJXHXAEVFZNG-UHFFFAOYSA-N 0 3 254.352 -1.398 20 0 CAADHN O=C(N[C@H]1CCNC1=O)[C@H]1CN2CCN1CCC2 ZINC000616960854 373049569 /nfs/dbraw/zinc/04/95/69/373049569.db2.gz NQHHAQMSSOYYAG-VHSXEESVSA-N 0 3 252.318 -1.619 20 0 CAADHN COC(=O)Cn1cc(CNC(=O)C(N)C(F)(F)F)nn1 ZINC000592228084 373069352 /nfs/dbraw/zinc/06/93/52/373069352.db2.gz IFQUVWSHIDFNNX-SSDOTTSWSA-N 0 3 295.221 -1.043 20 0 CAADHN COC(=O)CNC(=O)CN1CCCC[C@H](N)C1=O ZINC000591596870 373055695 /nfs/dbraw/zinc/05/56/95/373055695.db2.gz UHWGDJQIYQTNOM-QMMMGPOBSA-N 0 3 257.290 -1.385 20 0 CAADHN CC(C)(CNCCC(=O)NC(N)=O)NS(C)(=O)=O ZINC000591735555 373059321 /nfs/dbraw/zinc/05/93/21/373059321.db2.gz HKGHHONXCDXRPK-UHFFFAOYSA-N 0 3 280.350 -1.511 20 0 CAADHN COCCOC[C@H](O)CN1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592194594 373063835 /nfs/dbraw/zinc/06/38/35/373063835.db2.gz PPOIACXILZGEHS-GRYCIOLGSA-N 0 3 291.344 -1.134 20 0 CAADHN COC(=O)CC[C@@H](N)C(=O)N1CCN(C)C(=O)C1 ZINC000592155766 373063970 /nfs/dbraw/zinc/06/39/70/373063970.db2.gz CHXGROFNKCYUEP-MRVPVSSYSA-N 0 3 257.290 -1.433 20 0 CAADHN COCCOC[C@H](O)CN1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592194611 373064562 /nfs/dbraw/zinc/06/45/62/373064562.db2.gz PPOIACXILZGEHS-QJPTWQEYSA-N 0 3 291.344 -1.134 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](O)CN(CCC(=O)NC(N)=O)C1 ZINC000592205362 373066735 /nfs/dbraw/zinc/06/67/35/373066735.db2.gz WNEMGVUGIMGBDA-HTQZYQBOSA-N 0 3 273.289 -1.573 20 0 CAADHN COC(=O)[C@H]1C[C@@H](O)CN(CCCN2C(=O)CNC2=O)C1 ZINC000592202930 373066806 /nfs/dbraw/zinc/06/68/06/373066806.db2.gz QIWSENKIYDWISY-VHSXEESVSA-N 0 3 299.327 -1.216 20 0 CAADHN CNC(=O)NC(=O)CCN1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592199312 373067081 /nfs/dbraw/zinc/06/70/81/373067081.db2.gz TVEPWITYHBRNKS-BDAKNGLRSA-N 0 3 287.316 -1.312 20 0 CAADHN COC(=O)[C@@H]1C[C@H](O)CN(CCCC(=O)NC(N)=O)C1 ZINC000592198643 373067688 /nfs/dbraw/zinc/06/76/88/373067688.db2.gz HUZFOVKQLQKZHR-BDAKNGLRSA-N 0 3 287.316 -1.183 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000621151678 373042220 /nfs/dbraw/zinc/04/22/20/373042220.db2.gz GKCKRUSBZSOMJI-NSHDSACASA-N 0 3 284.360 -1.305 20 0 CAADHN COC(=O)C[C@H](O)CNS(=O)(=O)CCCN(C)C ZINC000601474487 373042641 /nfs/dbraw/zinc/04/26/41/373042641.db2.gz RAXYHAAQSXJPPC-VIFPVBQESA-N 0 3 282.362 -1.219 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N2CCN3CCC2CC3)C1=O ZINC000364564388 373044282 /nfs/dbraw/zinc/04/42/82/373044282.db2.gz KVWZKZHQFMSBPK-UHFFFAOYSA-N 0 3 294.311 -1.286 20 0 CAADHN COCC(COC)NC[C@H](O)CN1CCOCC1 ZINC000388513189 373044946 /nfs/dbraw/zinc/04/49/46/373044946.db2.gz SHQKMIRKEMKDJQ-LBPRGKRZSA-N 0 3 262.350 -1.070 20 0 CAADHN CN(C)S(=O)(=O)CCCN(CCO)CCCO ZINC000109797874 373045988 /nfs/dbraw/zinc/04/59/88/373045988.db2.gz WGAAXDZZYBZKRC-UHFFFAOYSA-N 0 3 268.379 -1.055 20 0 CAADHN Cc1[nH]ncc1CNC(=O)C(=O)NC[C@H]1COCCN1C ZINC000636572466 373047316 /nfs/dbraw/zinc/04/73/16/373047316.db2.gz QDSOCCVVTPTNPA-NSHDSACASA-N 0 3 295.343 -1.219 20 0 CAADHN Cc1[nH]ncc1CNC(=O)C(=O)NC[C@@H]1COCCN1C ZINC000636572465 373047967 /nfs/dbraw/zinc/04/79/67/373047967.db2.gz QDSOCCVVTPTNPA-LLVKDONJSA-N 0 3 295.343 -1.219 20 0 CAADHN COC[C@@H](NC(=O)COC1(C)CNC1)C(=O)OC ZINC000592562947 373073941 /nfs/dbraw/zinc/07/39/41/373073941.db2.gz LXGMBLXFCNDZKN-MRVPVSSYSA-N 0 3 260.290 -1.331 20 0 CAADHN COC(=O)[C@]1(NC(=O)COC2(C)CNC2)CCOC1 ZINC000592542640 373074163 /nfs/dbraw/zinc/07/41/63/373074163.db2.gz XZPZWWTWYHUFPM-LBPRGKRZSA-N 0 3 272.301 -1.187 20 0 CAADHN CNC(=O)NC(=O)CCN1CCCNC[C@H]1C(=O)OC ZINC000592489318 373074244 /nfs/dbraw/zinc/07/42/44/373074244.db2.gz QKAQQBDOZOENNC-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)COC1(C)CNC1 ZINC000592564562 373074260 /nfs/dbraw/zinc/07/42/60/373074260.db2.gz IVARYWZUQXGIHA-GXSJLCMTSA-N 0 3 286.328 -1.110 20 0 CAADHN COC(=O)[C@H]1CNCCCN1CC(=O)N1CCNC(=O)C1 ZINC000592493168 373074326 /nfs/dbraw/zinc/07/43/26/373074326.db2.gz XDYMQTRVTGYJAP-SNVBAGLBSA-N 0 3 298.343 -2.218 20 0 CAADHN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)COC1(C)CNC1 ZINC000592564564 373074389 /nfs/dbraw/zinc/07/43/89/373074389.db2.gz IVARYWZUQXGIHA-MWLCHTKSSA-N 0 3 286.328 -1.110 20 0 CAADHN CNC(=O)NC(=O)CCN1CCCNC[C@@H]1C(=O)OC ZINC000592489317 373074474 /nfs/dbraw/zinc/07/44/74/373074474.db2.gz QKAQQBDOZOENNC-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1CCN1C(=O)CCC1=O ZINC000592489792 373074515 /nfs/dbraw/zinc/07/45/15/373074515.db2.gz WCFNTKOJPKNAMB-JTQLQIEISA-N 0 3 283.328 -1.028 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1CC(=O)NC(=O)NC1CC1 ZINC000592492767 373074866 /nfs/dbraw/zinc/07/48/66/373074866.db2.gz ULNOEKDVWHZJOR-JTQLQIEISA-N 0 3 298.343 -1.189 20 0 CAADHN COC(=O)Cc1n[n-]c(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000592496311 373074954 /nfs/dbraw/zinc/07/49/54/373074954.db2.gz HGXZPLJQARDWLJ-KPCSLPGQSA-N 0 3 265.273 -1.076 20 0 CAADHN COC(=O)Cc1nnc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[n-]1 ZINC000592496311 373074964 /nfs/dbraw/zinc/07/49/64/373074964.db2.gz HGXZPLJQARDWLJ-KPCSLPGQSA-N 0 3 265.273 -1.076 20 0 CAADHN COC(=O)Cc1nc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)n[n-]1 ZINC000592496311 373074974 /nfs/dbraw/zinc/07/49/74/373074974.db2.gz HGXZPLJQARDWLJ-KPCSLPGQSA-N 0 3 265.273 -1.076 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)[C@@H]1CNCCO1 ZINC000592547662 373075191 /nfs/dbraw/zinc/07/51/91/373075191.db2.gz IZXZTSHOFCESLA-UWVGGRQHSA-N 0 3 271.317 -1.662 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)C(C)S(C)(=O)=O ZINC000592556013 373076470 /nfs/dbraw/zinc/07/64/70/373076470.db2.gz ZGJGNTKJZGYYEW-RKDXNWHRSA-N 0 3 292.357 -1.217 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)C[C@H]1COCCN1 ZINC000592550622 373076505 /nfs/dbraw/zinc/07/65/05/373076505.db2.gz ALEMADDEWRBHKI-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)CCOC1CNC1 ZINC000592554521 373076573 /nfs/dbraw/zinc/07/65/73/373076573.db2.gz NPLOXKMEECHZMJ-LLVKDONJSA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)C[C@H]1COCCN1 ZINC000592550623 373076777 /nfs/dbraw/zinc/07/67/77/373076777.db2.gz ALEMADDEWRBHKI-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)COC1(C)CNC1 ZINC000592558190 373078909 /nfs/dbraw/zinc/07/89/09/373078909.db2.gz AKNYNCVYULRGHH-VIFPVBQESA-N 0 3 299.327 -1.745 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COC1(C)CNC1 ZINC000592558178 373079012 /nfs/dbraw/zinc/07/90/12/373079012.db2.gz AKNYNCVYULRGHH-SECBINFHSA-N 0 3 299.327 -1.745 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)[C@H]1NCC1(C)C ZINC000592558587 373079096 /nfs/dbraw/zinc/07/90/96/373079096.db2.gz CQJRQPQWBIRMNQ-SNVBAGLBSA-N 0 3 271.317 -1.139 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)COC1(C)CNC1 ZINC000592556846 373079143 /nfs/dbraw/zinc/07/91/43/373079143.db2.gz VGKNRLLJYKAUQW-JTQLQIEISA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000592907628 373082168 /nfs/dbraw/zinc/08/21/68/373082168.db2.gz GEASKTQZJJHIIT-DJLDLDEBSA-N 0 3 293.341 -1.198 20 0 CAADHN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000592907642 373083072 /nfs/dbraw/zinc/08/30/72/373083072.db2.gz GEASKTQZJJHIIT-HLTSFMKQSA-N 0 3 293.341 -1.198 20 0 CAADHN COC(=O)C[C@H](N)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000592960187 373084817 /nfs/dbraw/zinc/08/48/17/373084817.db2.gz ZPSJODLGYAWTIB-SDDRHHMPSA-N 0 3 299.371 -1.066 20 0 CAADHN CNC(=O)NC(=O)CCN1CCN(CCN(C)C)C(=O)C1 ZINC000593052177 373086697 /nfs/dbraw/zinc/08/66/97/373086697.db2.gz OJJQANIIEOJQNH-UHFFFAOYSA-N 0 3 299.375 -1.462 20 0 CAADHN CNS(=O)(=O)CCCN[C@@H]1CCO[C@@H]1C(=O)OC ZINC000595661808 373117100 /nfs/dbraw/zinc/11/71/00/373117100.db2.gz ILBAJIWOXAOJFR-BDAKNGLRSA-N 0 3 280.346 -1.154 20 0 CAADHN CN(C)CCN1CCN(CC(=O)NC(N)=O)CC1=O ZINC000593051467 373088068 /nfs/dbraw/zinc/08/80/68/373088068.db2.gz NPKNJUKMOSSPEO-UHFFFAOYSA-N 0 3 271.321 -2.113 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N1CCN(CCN(C)C)C(=O)C1 ZINC000593051930 373088079 /nfs/dbraw/zinc/08/80/79/373088079.db2.gz PZFAGRNPVZFOBY-SNVBAGLBSA-N 0 3 299.375 -1.464 20 0 CAADHN COC(=O)CNC(=O)[C@H](C)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594026581 373098240 /nfs/dbraw/zinc/09/82/40/373098240.db2.gz DOPAXIZRWYBEJA-GARJFASQSA-N 0 3 285.344 -1.585 20 0 CAADHN COC(=O)CNC(=O)CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027343 373098408 /nfs/dbraw/zinc/09/84/08/373098408.db2.gz NEBYSKIAXIITTG-WDEREUQCSA-N 0 3 285.344 -1.584 20 0 CAADHN C[C@@H](C(=O)NC(N)=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594025521 373098603 /nfs/dbraw/zinc/09/86/03/373098603.db2.gz DPFARXRGVBRNBF-XHNCKOQMSA-N 0 3 256.306 -1.679 20 0 CAADHN COC(=O)CNC(=O)[C@@H](C)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594026582 373098738 /nfs/dbraw/zinc/09/87/38/373098738.db2.gz DOPAXIZRWYBEJA-OUAUKWLOSA-N 0 3 285.344 -1.585 20 0 CAADHN CNC(=O)NC(=O)CCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000593990697 373098970 /nfs/dbraw/zinc/09/89/70/373098970.db2.gz IYASJVYMYOXGQW-IUCAKERBSA-N 0 3 258.322 -1.561 20 0 CAADHN CN[C@@H](C)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000594437236 373102417 /nfs/dbraw/zinc/10/24/17/373102417.db2.gz VCGJQBGMLYYRKQ-JGVFFNPUSA-N 0 3 257.290 -1.516 20 0 CAADHN Cc1nc(N(C)C)nc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000594701870 373102635 /nfs/dbraw/zinc/10/26/35/373102635.db2.gz PLZXHNKTHJWFBA-UWVGGRQHSA-N 0 3 291.359 -1.006 20 0 CAADHN CNS(=O)(=O)CCCN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875147 373104518 /nfs/dbraw/zinc/10/45/18/373104518.db2.gz XXZCBSMHCPHSCI-VHSXEESVSA-N 0 3 290.389 -1.831 20 0 CAADHN CNC(=O)NC(=O)CCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875332 373104842 /nfs/dbraw/zinc/10/48/42/373104842.db2.gz AZIFHXSOYLVRSN-RKDXNWHRSA-N 0 3 283.332 -1.924 20 0 CAADHN CCN(C)S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875301 373104947 /nfs/dbraw/zinc/10/49/47/373104947.db2.gz LVZRQGGOSVRARA-BDAKNGLRSA-N 0 3 276.362 -1.573 20 0 CAADHN CCN1CC[C@H](N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1=O ZINC000594876400 373105155 /nfs/dbraw/zinc/10/51/55/373105155.db2.gz XMCPNHXVPVNKEW-VWYCJHECSA-N 0 3 266.345 -1.149 20 0 CAADHN CCN1CC[C@H](N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1=O ZINC000594876397 373105424 /nfs/dbraw/zinc/10/54/24/373105424.db2.gz XMCPNHXVPVNKEW-AXFHLTTASA-N 0 3 266.345 -1.149 20 0 CAADHN CN(C1CC1)S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875516 373105616 /nfs/dbraw/zinc/10/56/16/373105616.db2.gz MCVWCFHOHVDRFR-ZJUUUORDSA-N 0 3 288.373 -1.431 20 0 CAADHN COCCCNC(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875724 373105733 /nfs/dbraw/zinc/10/57/33/373105733.db2.gz WIKCVDBAUBETKL-QJPTWQEYSA-N 0 3 298.387 -1.229 20 0 CAADHN CCN1C[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1=O ZINC000594877032 373106885 /nfs/dbraw/zinc/10/68/85/373106885.db2.gz NFNXZVXSHHXWSB-GMTAPVOTSA-N 0 3 294.355 -1.375 20 0 CAADHN CN(CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(=O)C1CC1 ZINC000594877235 373107082 /nfs/dbraw/zinc/10/70/82/373107082.db2.gz ZWVMEZDFCLFZEV-GHMZBOCLSA-N 0 3 294.355 -1.375 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594885890 373107103 /nfs/dbraw/zinc/10/71/03/373107103.db2.gz LLLYNIWDMCEZSJ-UTINFBMNSA-N 0 3 281.312 -1.434 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594885889 373107195 /nfs/dbraw/zinc/10/71/95/373107195.db2.gz LLLYNIWDMCEZSJ-RGOKHQFPSA-N 0 3 281.312 -1.434 20 0 CAADHN N[C@H]1C[C@@H]2CN(CC(=O)N3CCOCC3)CCN2C1=O ZINC000594873655 373107254 /nfs/dbraw/zinc/10/72/54/373107254.db2.gz GUIJPBAMOVGFGD-MNOVXSKESA-N 0 3 282.344 -1.911 20 0 CAADHN CC(C)OC[C@H](N)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594879768 373107344 /nfs/dbraw/zinc/10/73/44/373107344.db2.gz PILPFWQSQFLLQI-DCAQKATOSA-N 0 3 284.360 -1.491 20 0 CAADHN CCN1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000616307091 373107402 /nfs/dbraw/zinc/10/74/02/373107402.db2.gz FPDYBXKKDAWALX-YUMQZZPRSA-N 0 3 254.290 -1.205 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CC(=O)NC3CC3)CCN2C1=O ZINC000594874168 373107664 /nfs/dbraw/zinc/10/76/64/373107664.db2.gz LPQNVJHPIXRKMG-NXEZZACHSA-N 0 3 252.318 -1.491 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CC(=O)N3CCOCC3)CCN2C1=O ZINC000594873654 373107735 /nfs/dbraw/zinc/10/77/35/373107735.db2.gz GUIJPBAMOVGFGD-GHMZBOCLSA-N 0 3 282.344 -1.911 20 0 CAADHN CN(CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(=O)C1CC1 ZINC000594877238 373107842 /nfs/dbraw/zinc/10/78/42/373107842.db2.gz ZWVMEZDFCLFZEV-WDEREUQCSA-N 0 3 294.355 -1.375 20 0 CAADHN C[C@@H]1CNC[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)O1 ZINC000594878357 373107862 /nfs/dbraw/zinc/10/78/62/373107862.db2.gz GUGGMOLDGAUVLR-CHWFTXMASA-N 0 3 282.344 -1.866 20 0 CAADHN CC1(OCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CNC1 ZINC000594879705 373107923 /nfs/dbraw/zinc/10/79/23/373107923.db2.gz KKSSHPYHDMAXIW-ZJUUUORDSA-N 0 3 282.344 -1.865 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594885888 373108047 /nfs/dbraw/zinc/10/80/47/373108047.db2.gz LLLYNIWDMCEZSJ-QEYWKRMJSA-N 0 3 281.312 -1.434 20 0 CAADHN CCN1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000616307090 373108065 /nfs/dbraw/zinc/10/80/65/373108065.db2.gz FPDYBXKKDAWALX-SFYZADRCSA-N 0 3 254.290 -1.205 20 0 CAADHN CC1(OCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CNC1 ZINC000594879702 373108099 /nfs/dbraw/zinc/10/80/99/373108099.db2.gz KKSSHPYHDMAXIW-NXEZZACHSA-N 0 3 282.344 -1.865 20 0 CAADHN CC1(OCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CNC1 ZINC000594879704 373108160 /nfs/dbraw/zinc/10/81/60/373108160.db2.gz KKSSHPYHDMAXIW-VHSXEESVSA-N 0 3 282.344 -1.865 20 0 CAADHN NC(=O)[C@H]1C[C@@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595273123 373109051 /nfs/dbraw/zinc/10/90/51/373109051.db2.gz JGKGTJJOAIOVSZ-UTINFBMNSA-N 0 3 295.343 -1.796 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCOC3)CCN2C1=O ZINC000595264057 373109252 /nfs/dbraw/zinc/10/92/52/373109252.db2.gz IBRJXKSFRQGRFO-IVZWLZJFSA-N 0 3 268.317 -1.271 20 0 CAADHN CO[C@H](C)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595270123 373109368 /nfs/dbraw/zinc/10/93/68/373109368.db2.gz GZDBSQMIXTUVIV-UTLUCORTSA-N 0 3 270.333 -1.025 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CCOC3)CCN2C1=O ZINC000595264058 373109866 /nfs/dbraw/zinc/10/98/66/373109866.db2.gz IBRJXKSFRQGRFO-KXUCPTDWSA-N 0 3 268.317 -1.271 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594874586 373110192 /nfs/dbraw/zinc/11/01/92/373110192.db2.gz GDHCBPXDRVUWIP-DJLDLDEBSA-N 0 3 283.332 -1.926 20 0 CAADHN N[C@H]1C[C@@H]2CN(CC(=O)NC3CC3)CCN2C1=O ZINC000594874171 373110238 /nfs/dbraw/zinc/11/02/38/373110238.db2.gz LPQNVJHPIXRKMG-ZJUUUORDSA-N 0 3 252.318 -1.491 20 0 CAADHN NC(=O)[C@H]1C[C@@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595273121 373110310 /nfs/dbraw/zinc/11/03/10/373110310.db2.gz JGKGTJJOAIOVSZ-QCLAVDOMSA-N 0 3 295.343 -1.796 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594874587 373110345 /nfs/dbraw/zinc/11/03/45/373110345.db2.gz GDHCBPXDRVUWIP-XHNCKOQMSA-N 0 3 283.332 -1.926 20 0 CAADHN COCCN(C)C[C@@H](O)CN[C@@H]1CCO[C@@H]1C(=O)OC ZINC000595658597 373118353 /nfs/dbraw/zinc/11/83/53/373118353.db2.gz FYYKJGLGVYENDG-TUAOUCFPSA-N 0 3 290.360 -1.154 20 0 CAADHN CCN(C)C(=O)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595273448 373111784 /nfs/dbraw/zinc/11/17/84/373111784.db2.gz DILUMEBLVOXEQG-NXEZZACHSA-N 0 3 297.359 -1.582 20 0 CAADHN COC(=O)c1cn(CC(=O)N2CCCNCC2)nn1 ZINC000592446712 373071604 /nfs/dbraw/zinc/07/16/04/373071604.db2.gz PESKEYACNDXKRB-UHFFFAOYSA-N 0 3 267.289 -1.113 20 0 CAADHN COCCCNC(=O)CN1CCCNC[C@H]1C(=O)OC ZINC000592489312 373071785 /nfs/dbraw/zinc/07/17/85/373071785.db2.gz QILKQIBOAYGAFV-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1CCNS(C)(=O)=O ZINC000592488052 373071915 /nfs/dbraw/zinc/07/19/15/373071915.db2.gz HGOHFZPUHUUJLJ-VIFPVBQESA-N 0 3 279.362 -1.628 20 0 CAADHN CCS(=O)(=O)NCCN1CCCNC[C@@H]1C(=O)OC ZINC000592488185 373072071 /nfs/dbraw/zinc/07/20/71/373072071.db2.gz JGCJKCGQZMLRBD-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN COCCCNC(=O)CN1CCCNC[C@@H]1C(=O)OC ZINC000592489311 373073080 /nfs/dbraw/zinc/07/30/80/373073080.db2.gz QILKQIBOAYGAFV-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CCOC(=O)C[C@H](O)C(=O)N[C@H](CO)CN(C)C ZINC000597652654 373152229 /nfs/dbraw/zinc/15/22/29/373152229.db2.gz DHOYKUPTNWELNG-IUCAKERBSA-N 0 3 262.306 -1.661 20 0 CAADHN CCOC(=O)C[C@@H](O)C(=O)N[C@@H](CO)CN(C)C ZINC000597652655 373152320 /nfs/dbraw/zinc/15/23/20/373152320.db2.gz DHOYKUPTNWELNG-RKDXNWHRSA-N 0 3 262.306 -1.661 20 0 CAADHN CN(C)CCN1CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC000598109682 373159951 /nfs/dbraw/zinc/15/99/51/373159951.db2.gz ACMZPHGKNUARCT-UHFFFAOYSA-N 0 3 268.361 -1.042 20 0 CAADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)C3COC3)CCN2C1=O ZINC000599097305 373165920 /nfs/dbraw/zinc/16/59/20/373165920.db2.gz BESFIGYXSLQOKN-APPZFPTMSA-N 0 3 275.330 -2.041 20 0 CAADHN COC(=O)c1cn(C2CN(c3nc(N)nc(N)n3)C2)nn1 ZINC000599064671 373165966 /nfs/dbraw/zinc/16/59/66/373165966.db2.gz FFYZHQIJWYNPLT-UHFFFAOYSA-N 0 3 291.275 -1.864 20 0 CAADHN Cc1nnc2n1C[C@@H](CNc1nc(N)nc(N)n1)CC2 ZINC000599037395 373166252 /nfs/dbraw/zinc/16/62/52/373166252.db2.gz ADYJJABPSAZSHP-SSDOTTSWSA-N 0 3 275.320 -1.307 20 0 CAADHN COC(=O)[C@@H]1CN(c2nc(N)nc(N)n2)C[C@H](C)O1 ZINC000599096612 373166633 /nfs/dbraw/zinc/16/66/33/373166633.db2.gz UEDBCWVGZAGPGU-WDSKDSINSA-N 0 3 268.277 -1.537 20 0 CAADHN COC(=O)[C@@H]1CN(c2nc(N)nc(N)n2)C[C@H]1C ZINC000599093103 373166809 /nfs/dbraw/zinc/16/68/09/373166809.db2.gz VOIJWMROBLBBDD-PHDIDXHHSA-N 0 3 252.278 -1.058 20 0 CAADHN COC(=O)[C@@H](O)C1CCN(c2nc(N)nc(N)n2)CC1 ZINC000599057520 373166945 /nfs/dbraw/zinc/16/69/45/373166945.db2.gz FYZSUZBTPFVEER-ZETCQYMHSA-N 0 3 282.304 -1.553 20 0 CAADHN COC(=O)[C@H]1C[C@H](O)CN(c2nc(N)nc(N)n2)C1 ZINC000599093019 373167124 /nfs/dbraw/zinc/16/71/24/373167124.db2.gz MBIHZQIXNMJOKU-WDSKDSINSA-N 0 3 268.277 -1.943 20 0 CAADHN CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)Nc1nc(N)nc(N)n1 ZINC000599073859 373167174 /nfs/dbraw/zinc/16/71/74/373167174.db2.gz OSXDKOZPBDIQAK-PHDIDXHHSA-N 0 3 297.319 -2.013 20 0 CAADHN C[S@](=O)C1(CNc2nc(N)nc(N)n2)CCC1 ZINC000599074019 373167223 /nfs/dbraw/zinc/16/72/23/373167223.db2.gz JFHUPOBPDMWJIF-KRWDZBQOSA-N 0 3 256.335 -1.168 20 0 CAADHN COC(=O)C[C@@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC000599052897 373167591 /nfs/dbraw/zinc/16/75/91/373167591.db2.gz AHUADXOQBZMZMB-ZCFIWIBFSA-N 0 3 268.277 -1.535 20 0 CAADHN CCOC(=O)[C@@](C)(O)CNc1nc(N)nc(N)n1 ZINC000599064817 373167775 /nfs/dbraw/zinc/16/77/75/373167775.db2.gz FECLAHUUYKVCIV-VIFPVBQESA-N 0 3 256.266 -2.155 20 0 CAADHN COC(=O)[C@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC000599041349 373167787 /nfs/dbraw/zinc/16/77/87/373167787.db2.gz RRKIJLNNBCKFAA-RXMQYKEDSA-N 0 3 254.250 -1.925 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](O)CN(c2nc(N)nc(N)n2)C1 ZINC000599093017 373167798 /nfs/dbraw/zinc/16/77/98/373167798.db2.gz MBIHZQIXNMJOKU-PHDIDXHHSA-N 0 3 268.277 -1.943 20 0 CAADHN COC(=O)CCN1CCN(c2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000599062286 373167826 /nfs/dbraw/zinc/16/78/26/373167826.db2.gz MTVNYFHPYVYVBL-QMMMGPOBSA-N 0 3 295.347 -1.230 20 0 CAADHN COC(=O)c1n[nH]c2c1CN(c1nc(N)nc(N)n1)CC2 ZINC000599084470 373168967 /nfs/dbraw/zinc/16/89/67/373168967.db2.gz RSQZABBZJNFPMX-UHFFFAOYSA-N 0 3 290.287 -1.231 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C[C@H]1CNCCO1 ZINC000595893444 373120011 /nfs/dbraw/zinc/12/00/11/373120011.db2.gz RELBCWQGZYHFER-NXEZZACHSA-N 0 3 271.317 -1.662 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C[C@@H]1CCC2(CNC2)O1 ZINC000595893106 373120927 /nfs/dbraw/zinc/12/09/27/373120927.db2.gz PFGQZABDYLLOTL-QWRGUYRKSA-N 0 3 297.355 -1.129 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CNC(C)C ZINC000595953207 373121697 /nfs/dbraw/zinc/12/16/97/373121697.db2.gz XIOUQQRGYQDQHP-SECBINFHSA-N 0 3 271.317 -1.126 20 0 CAADHN CN(C)c1noc(CN2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000595903281 373122549 /nfs/dbraw/zinc/12/25/49/373122549.db2.gz RIVULXHBQJFJGN-DTWKUNHWSA-N 0 3 280.332 -1.121 20 0 CAADHN CC[C@@H](NC)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000595950180 373122568 /nfs/dbraw/zinc/12/25/68/373122568.db2.gz BTDHEZFPZJMNSI-RKDXNWHRSA-N 0 3 271.317 -1.126 20 0 CAADHN CCOC(=O)[C@@H](N)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000595951312 373122857 /nfs/dbraw/zinc/12/28/57/373122857.db2.gz PLDOBDZDXJGJMK-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN COC(=O)[C@@]1(OC)CCN(c2nc(N)nc(N)n2)C1 ZINC000599138137 373170014 /nfs/dbraw/zinc/17/00/14/373170014.db2.gz HKLWCBSCXZPLTK-SNVBAGLBSA-N 0 3 268.277 -1.535 20 0 CAADHN CC[C@H](NC)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000595950178 373123124 /nfs/dbraw/zinc/12/31/24/373123124.db2.gz BTDHEZFPZJMNSI-IUCAKERBSA-N 0 3 271.317 -1.126 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)[C@H](CC)NC ZINC000595951005 373123166 /nfs/dbraw/zinc/12/31/66/373123166.db2.gz IXKRSUIFBPGOSE-QMMMGPOBSA-N 0 3 259.306 -1.139 20 0 CAADHN CN(C)c1noc(CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000595903283 373123220 /nfs/dbraw/zinc/12/32/20/373123220.db2.gz RIVULXHBQJFJGN-RKDXNWHRSA-N 0 3 280.332 -1.121 20 0 CAADHN CCN1CCN([C@@H]2CCN(C(=O)C3(O)CNC3)C2)CC1 ZINC000595954586 373125588 /nfs/dbraw/zinc/12/55/88/373125588.db2.gz JTSMMVFGGFWWCS-GFCCVEGCSA-N 0 3 282.388 -1.441 20 0 CAADHN COC(=O)CCNC(=O)CCNc1nc(N)nc(N)n1 ZINC000599169953 373170191 /nfs/dbraw/zinc/17/01/91/373170191.db2.gz LPRGHBLOSKZEJP-UHFFFAOYSA-N 0 3 283.292 -2.400 20 0 CAADHN CN1C[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)NC1=O ZINC000595969247 373126556 /nfs/dbraw/zinc/12/65/56/373126556.db2.gz CXUOCSRQYWVDLX-DJLDLDEBSA-N 0 3 281.316 -2.220 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)C3(O)CNC3)CCN2C1=O ZINC000595969013 373126572 /nfs/dbraw/zinc/12/65/72/373126572.db2.gz BBAZFQFCXOXCEC-HTQZYQBOSA-N 0 3 254.290 -2.909 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)C3(O)CNC3)CCN2C1=O ZINC000595969018 373127140 /nfs/dbraw/zinc/12/71/40/373127140.db2.gz BBAZFQFCXOXCEC-YUMQZZPRSA-N 0 3 254.290 -2.909 20 0 CAADHN COC(=O)C[C@H](N)C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000595975743 373127172 /nfs/dbraw/zinc/12/71/72/373127172.db2.gz KISNJNVTEFBPGB-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCCC3)CCN2C1=O ZINC000595990597 373129112 /nfs/dbraw/zinc/12/91/12/373129112.db2.gz YPSXGJXLBFZOHK-NXEZZACHSA-N 0 3 280.328 -1.621 20 0 CAADHN CC(C)N(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595987279 373129485 /nfs/dbraw/zinc/12/94/85/373129485.db2.gz LHBGHYMMCCLSOG-VHSXEESVSA-N 0 3 282.344 -1.376 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N3CCOCC3)CCN2C1=O ZINC000595986634 373129872 /nfs/dbraw/zinc/12/98/72/373129872.db2.gz JEASOEITOLAZBT-UWVGGRQHSA-N 0 3 296.327 -2.384 20 0 CAADHN CC(C)N(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595987280 373130180 /nfs/dbraw/zinc/13/01/80/373130180.db2.gz LHBGHYMMCCLSOG-ZJUUUORDSA-N 0 3 282.344 -1.376 20 0 CAADHN CC(C)N(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595987277 373130201 /nfs/dbraw/zinc/13/02/01/373130201.db2.gz LHBGHYMMCCLSOG-NXEZZACHSA-N 0 3 282.344 -1.376 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)N3CCCC3)CCN2C1=O ZINC000595990598 373130245 /nfs/dbraw/zinc/13/02/45/373130245.db2.gz YPSXGJXLBFZOHK-UWVGGRQHSA-N 0 3 280.328 -1.621 20 0 CAADHN COC(=O)c1cn(CC(=O)N2CC[C@@H](F)[C@H](N)C2)nn1 ZINC000595992338 373130646 /nfs/dbraw/zinc/13/06/46/373130646.db2.gz XRORQYJGOWKIGR-HTQZYQBOSA-N 0 3 285.279 -1.038 20 0 CAADHN CN(CC1CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595982090 373130805 /nfs/dbraw/zinc/13/08/05/373130805.db2.gz SIDAXDKFGRNESQ-QWRGUYRKSA-N 0 3 294.355 -1.375 20 0 CAADHN CN(CC1CC1)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595982088 373130891 /nfs/dbraw/zinc/13/08/91/373130891.db2.gz SIDAXDKFGRNESQ-MNOVXSKESA-N 0 3 294.355 -1.375 20 0 CAADHN COC(=O)c1cn(CC(=O)N2CCOC3(CNC3)C2)nn1 ZINC000596579690 373134113 /nfs/dbraw/zinc/13/41/13/373134113.db2.gz KFJFGGCRROSUME-UHFFFAOYSA-N 0 3 295.299 -1.735 20 0 CAADHN CNC(=O)CN1CCN(C(=O)CNC(C)C)CC1 ZINC000037495142 373136776 /nfs/dbraw/zinc/13/67/76/373136776.db2.gz QKNIHRWAKUNAEV-UHFFFAOYSA-N 0 3 256.350 -1.125 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H](CNc2nc(N)nc(N)n2)O1 ZINC000624035886 373210451 /nfs/dbraw/zinc/21/04/51/373210451.db2.gz SNYFCSBAUICIMP-WHFBIAKZSA-N 0 3 253.266 -2.437 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCN(C)C2)C1=O ZINC000603262066 373211807 /nfs/dbraw/zinc/21/18/07/373211807.db2.gz NTWQBTAPACPKEV-SECBINFHSA-N 0 3 296.327 -1.135 20 0 CAADHN COC(=O)c1ccn(CC(=O)NC[C@@]2(O)CCN(C)C2)n1 ZINC000603008011 373212068 /nfs/dbraw/zinc/21/20/68/373212068.db2.gz APRPTTVPNNIQPB-ZDUSSCGKSA-N 0 3 296.327 -1.148 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(C)C2)C1=O ZINC000603264300 373212257 /nfs/dbraw/zinc/21/22/57/373212257.db2.gz RXBSTFPPLXFEBY-QMMMGPOBSA-N 0 3 282.300 -1.383 20 0 CAADHN COCCN1CC[C@@H](NC(=O)N[C@@H]2COC[C@@H]2O)C1 ZINC000636818558 373215213 /nfs/dbraw/zinc/21/52/13/373215213.db2.gz QSSVGEDWZLKSIL-MXWKQRLJSA-N 0 3 273.333 -1.234 20 0 CAADHN COCCN1CC[C@H](NC(=O)N[C@@H]2COC[C@@H]2O)C1 ZINC000636818557 373215229 /nfs/dbraw/zinc/21/52/29/373215229.db2.gz QSSVGEDWZLKSIL-AXFHLTTASA-N 0 3 273.333 -1.234 20 0 CAADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CNC(=O)CN ZINC000563094356 373216261 /nfs/dbraw/zinc/21/62/61/373216261.db2.gz GXDHZBNQPNEMSU-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN NS(=O)(=O)C[C@@H]1CCCN1C(=O)COC1CNC1 ZINC000563094327 373216825 /nfs/dbraw/zinc/21/68/25/373216825.db2.gz DFOXBYZQVQFKKP-QMMMGPOBSA-N 0 3 277.346 -1.746 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)[C@]1(CO)CCOC1 ZINC000329684399 373217246 /nfs/dbraw/zinc/21/72/46/373217246.db2.gz YCHUODAFTVHWRI-OLZOCXBDSA-N 0 3 274.361 -1.237 20 0 CAADHN COC[C@H](N)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000563106085 373219816 /nfs/dbraw/zinc/21/98/16/373219816.db2.gz FOPZDUFITSSWOM-NEPJUHHUSA-N 0 3 298.387 -1.370 20 0 CAADHN CN1CCN(C(=O)CN2CCCNC2=O)[C@@H](CN)C1 ZINC000563101357 373219983 /nfs/dbraw/zinc/21/99/83/373219983.db2.gz DWVLXJGKKWIETE-JTQLQIEISA-N 0 3 269.349 -1.497 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000563145429 373221005 /nfs/dbraw/zinc/22/10/05/373221005.db2.gz XJQQAYCNRAYGBC-BDAKNGLRSA-N 0 3 284.360 -1.035 20 0 CAADHN NC(=O)NC(=O)CCN[C@@H](CO)CN1CCCC1 ZINC000563138080 373222110 /nfs/dbraw/zinc/22/21/10/373222110.db2.gz MZXRWLOKOFYFRZ-SECBINFHSA-N 0 3 258.322 -1.382 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000563139701 373222207 /nfs/dbraw/zinc/22/22/07/373222207.db2.gz BRFRDQKMJJDXFO-RXGFPQBGSA-N 0 3 276.377 -1.212 20 0 CAADHN Cn1cc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cn1 ZINC000250614442 373173449 /nfs/dbraw/zinc/17/34/49/373173449.db2.gz BBWTWBZSZJEKBH-SECBINFHSA-N 0 3 273.362 -1.317 20 0 CAADHN C[C@@H](C(=O)N1CCN(C)C[C@H]1CN)S(C)(=O)=O ZINC000252709173 373178985 /nfs/dbraw/zinc/17/89/85/373178985.db2.gz CFDSSNJOMDUHIX-DTWKUNHWSA-N 0 3 263.363 -1.479 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000567829758 373185544 /nfs/dbraw/zinc/18/55/44/373185544.db2.gz NADHFBWCWGIUPY-IUCAKERBSA-N 0 3 278.378 -1.975 20 0 CAADHN COC(=O)c1cnn(CC(=O)N[C@H](CO)CN(C)C)c1 ZINC000599940977 373187044 /nfs/dbraw/zinc/18/70/44/373187044.db2.gz TVALDIZXBGBLSP-JTQLQIEISA-N 0 3 284.316 -1.292 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000567829756 373188019 /nfs/dbraw/zinc/18/80/19/373188019.db2.gz NADHFBWCWGIUPY-BDAKNGLRSA-N 0 3 278.378 -1.975 20 0 CAADHN NC(=O)[C@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000599933724 373188096 /nfs/dbraw/zinc/18/80/96/373188096.db2.gz JGKGTJJOAIOVSZ-XKNYDFJKSA-N 0 3 295.343 -1.796 20 0 CAADHN NC(=O)[C@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000599933725 373188165 /nfs/dbraw/zinc/18/81/65/373188165.db2.gz JGKGTJJOAIOVSZ-ZYUZMQFOSA-N 0 3 295.343 -1.796 20 0 CAADHN COC(=O)[C@H]1CN(C)CCN(C(=O)Cc2ncn[nH]2)C1 ZINC000601633218 373189977 /nfs/dbraw/zinc/18/99/77/373189977.db2.gz USUFBPLGPWKLGS-VIFPVBQESA-N 0 3 281.316 -1.090 20 0 CAADHN COC(=O)[C@@H]1O[C@@H](C(=O)N[C@@H](CO)CN(C)C)C[C@H]1C ZINC000601590847 373190243 /nfs/dbraw/zinc/19/02/43/373190243.db2.gz XGQDHAGTCFFOTH-GWOFURMSSA-N 0 3 288.344 -1.008 20 0 CAADHN COC[C@@H](O)CN[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC000601965870 373191560 /nfs/dbraw/zinc/19/15/60/373191560.db2.gz AWQXKYNULQACBA-CIUDSAMLSA-N 0 3 262.306 -1.351 20 0 CAADHN COC[C@H](O)CN[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC000601965872 373192384 /nfs/dbraw/zinc/19/23/84/373192384.db2.gz AWQXKYNULQACBA-XHNCKOQMSA-N 0 3 262.306 -1.351 20 0 CAADHN COCCN(C)CCNC[C@@H](O)CN1CCOCC1 ZINC000061378575 373192611 /nfs/dbraw/zinc/19/26/11/373192611.db2.gz SMTCXKWBIAGHCC-CYBMUJFWSA-N 0 3 275.393 -1.153 20 0 CAADHN CN1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@H](CN)C1 ZINC000563152523 373225071 /nfs/dbraw/zinc/22/50/71/373225071.db2.gz CHPXGEDSJRQOOX-SNVBAGLBSA-N 0 3 297.359 -1.580 20 0 CAADHN Nc1nc(N)nc(N2CCC(N3CN=NC3=O)CC2)n1 ZINC000624176796 373225128 /nfs/dbraw/zinc/22/51/28/373225128.db2.gz SCCBKYHUCIIZSF-UHFFFAOYSA-N 0 3 277.292 -1.165 20 0 CAADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCCN(C)C ZINC000602397267 373196427 /nfs/dbraw/zinc/19/64/27/373196427.db2.gz PWEYVGWTCMFULK-IUCAKERBSA-N 0 3 288.348 -1.087 20 0 CAADHN COC(=O)CCNC(=O)CCNC(=O)NCCN(C)C ZINC000602377871 373197696 /nfs/dbraw/zinc/19/76/96/373197696.db2.gz XMHXASDIIIGNEE-UHFFFAOYSA-N 0 3 288.348 -1.083 20 0 CAADHN COC(=O)COCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000602373312 373197870 /nfs/dbraw/zinc/19/78/70/373197870.db2.gz WFYSHFXYRUMOTM-UWVGGRQHSA-N 0 3 289.332 -1.508 20 0 CAADHN COC(=O)CSCCNC(=O)CN1CCNCC1 ZINC000602454716 373199444 /nfs/dbraw/zinc/19/94/44/373199444.db2.gz SDXYKXSPMZFYOL-UHFFFAOYSA-N 0 3 275.374 -1.086 20 0 CAADHN COC(=O)[C@@H](NC(=O)CN1CCNCC1)C1CC1 ZINC000602457678 373199659 /nfs/dbraw/zinc/19/96/59/373199659.db2.gz IQNPONUYHGZDEU-NSHDSACASA-N 0 3 255.318 -1.041 20 0 CAADHN COC(=O)C1(CNC(=O)CN2CCNCC2)CCOCC1 ZINC000602498446 373199682 /nfs/dbraw/zinc/19/96/82/373199682.db2.gz KERNNEYSFRTAQX-UHFFFAOYSA-N 0 3 299.371 -1.022 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)CN1CCNCC1 ZINC000602490611 373199860 /nfs/dbraw/zinc/19/98/60/373199860.db2.gz CYWJRBKXGCUVJZ-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN CC(=O)N[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)C ZINC000602524023 373200409 /nfs/dbraw/zinc/20/04/09/373200409.db2.gz JTKMIBSORZZNCG-IJLUTSLNSA-N 0 3 296.371 -1.083 20 0 CAADHN CCN[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000602497768 373200443 /nfs/dbraw/zinc/20/04/43/373200443.db2.gz WVSBPGLVGSHABT-IUCAKERBSA-N 0 3 271.317 -1.126 20 0 CAADHN CC(=O)N[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)C ZINC000602524024 373200462 /nfs/dbraw/zinc/20/04/62/373200462.db2.gz JTKMIBSORZZNCG-QJPTWQEYSA-N 0 3 296.371 -1.083 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000602519004 373200566 /nfs/dbraw/zinc/20/05/66/373200566.db2.gz CWPIDZMNLQJMLP-DJLDLDEBSA-N 0 3 258.274 -1.497 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)O1 ZINC000602524569 373200720 /nfs/dbraw/zinc/20/07/20/373200720.db2.gz LUQALKULZSKRNM-NOOOWODRSA-N 0 3 296.371 -1.524 20 0 CAADHN COC[C@](C)(CC(=O)OC)NC(=O)CN1CCNCC1 ZINC000602464713 373200784 /nfs/dbraw/zinc/20/07/84/373200784.db2.gz GNEUGUFWUTZUFW-ZDUSSCGKSA-N 0 3 287.360 -1.024 20 0 CAADHN COC(=O)[C@H](NC(=O)CN1CCNCC1)C1CC1 ZINC000602457676 373200813 /nfs/dbraw/zinc/20/08/13/373200813.db2.gz IQNPONUYHGZDEU-LLVKDONJSA-N 0 3 255.318 -1.041 20 0 CAADHN COC(=O)[C@@]1(NC(=O)CN2CCNCC2)CCOC1 ZINC000602464791 373200834 /nfs/dbraw/zinc/20/08/34/373200834.db2.gz GZSOUGIJNMZJNL-GFCCVEGCSA-N 0 3 271.317 -1.660 20 0 CAADHN CN1CC[C@](C)(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1=O ZINC000602523828 373200894 /nfs/dbraw/zinc/20/08/94/373200894.db2.gz IMRCMJUGWZVOGC-RULNRJAQSA-N 0 3 294.355 -1.375 20 0 CAADHN COC(=O)C1(CNC(=O)CN2CCNCC2)CC1 ZINC000602507775 373202017 /nfs/dbraw/zinc/20/20/17/373202017.db2.gz JVXBTTWYDWXFQF-UHFFFAOYSA-N 0 3 255.318 -1.039 20 0 CAADHN COCCN(CC(=O)OC)C(=O)CN1CCNCC1 ZINC000602512047 373202107 /nfs/dbraw/zinc/20/21/07/373202107.db2.gz UTYHPEGBAWZAEI-UHFFFAOYSA-N 0 3 273.333 -1.460 20 0 CAADHN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CN1CCNCC1 ZINC000602511114 373202585 /nfs/dbraw/zinc/20/25/85/373202585.db2.gz ILYOGCGKLBSNNP-CMPLNLGQSA-N 0 3 285.344 -1.584 20 0 CAADHN COC(=O)[C@H]1C[C@H](NC(=O)CN2CCNCC2)C1 ZINC000602536608 373203095 /nfs/dbraw/zinc/20/30/95/373203095.db2.gz UYXZTRRTEHUBAK-MGCOHNPYSA-N 0 3 255.318 -1.041 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CN1CCNCC1 ZINC000602511118 373203139 /nfs/dbraw/zinc/20/31/39/373203139.db2.gz ILYOGCGKLBSNNP-PWSUYJOCSA-N 0 3 285.344 -1.584 20 0 CAADHN COC(=O)CNC(=O)CNC[C@]1(OC)CCOC1 ZINC000602750099 373206350 /nfs/dbraw/zinc/20/63/50/373206350.db2.gz PTSBMYYYWYENPU-LLVKDONJSA-N 0 3 260.290 -1.329 20 0 CAADHN COC(=O)c1ccn(CC(=O)NC[C@]2(O)CCN(C)C2)n1 ZINC000603008010 373209249 /nfs/dbraw/zinc/20/92/49/373209249.db2.gz APRPTTVPNNIQPB-CYBMUJFWSA-N 0 3 296.327 -1.148 20 0 CAADHN COC[C@@](C)(CO)NCCC(=O)N(C)CC(=O)OC ZINC000602933833 373209810 /nfs/dbraw/zinc/20/98/10/373209810.db2.gz YFTQTFVWGQFENR-GFCCVEGCSA-N 0 3 276.333 -1.005 20 0 CAADHN COCCN1CCCN(C(=O)CN2CCNCC2=O)CC1 ZINC000570959507 373272671 /nfs/dbraw/zinc/27/26/71/373272671.db2.gz FQEWVMRUKOYUBF-UHFFFAOYSA-N 0 3 298.387 -1.401 20 0 CAADHN CN1CCN(C(=O)CCN2CC[C@@H](NC(N)=O)C2)CC1 ZINC000338285856 373277136 /nfs/dbraw/zinc/27/71/36/373277136.db2.gz LPADJPZITNITSV-LLVKDONJSA-N 0 3 283.376 -1.107 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC[C@H]1COCCN1C ZINC000637108426 373228984 /nfs/dbraw/zinc/22/89/84/373228984.db2.gz PKGZTSICTXMZSE-NSHDSACASA-N 0 3 286.376 -1.547 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1COCCN1C ZINC000637108425 373229791 /nfs/dbraw/zinc/22/97/91/373229791.db2.gz PKGZTSICTXMZSE-LLVKDONJSA-N 0 3 286.376 -1.547 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@](C)(O)CO)CC1=O ZINC000355287811 373233386 /nfs/dbraw/zinc/23/33/86/373233386.db2.gz ZBYGZWQCPXSFHZ-MFKMUULPSA-N 0 3 287.360 -1.744 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@](C)(O)CO)CC1=O ZINC000355287807 373233873 /nfs/dbraw/zinc/23/38/73/373233873.db2.gz ZBYGZWQCPXSFHZ-GXFFZTMASA-N 0 3 287.360 -1.744 20 0 CAADHN COCCN(C(=O)[C@@H]1C[C@@H]1N)[C@H]1CCS(=O)(=O)C1 ZINC000050463983 373239226 /nfs/dbraw/zinc/23/92/26/373239226.db2.gz GLOWJZWLXKZFCR-AEJSXWLSSA-N 0 3 276.358 -1.004 20 0 CAADHN CCOC[C@H](O)CNCCS(=O)(=O)N(C)C ZINC000309382756 373241019 /nfs/dbraw/zinc/24/10/19/373241019.db2.gz GRPFADPXEXXQMJ-SECBINFHSA-N 0 3 254.352 -1.135 20 0 CAADHN C[C@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000336663498 373243456 /nfs/dbraw/zinc/24/34/56/373243456.db2.gz SIEIXSLSZHUSQI-IUCAKERBSA-N 0 3 251.352 -1.128 20 0 CAADHN COC(=O)CCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336698842 373246068 /nfs/dbraw/zinc/24/60/68/373246068.db2.gz DSSCAKNHMDGXAV-SNVBAGLBSA-N 0 3 259.306 -1.235 20 0 CAADHN Nc1nc(N)nc(NC[C@H](CO)[C@@H]2CCOC2)n1 ZINC000624179262 373247025 /nfs/dbraw/zinc/24/70/25/373247025.db2.gz RPZNNFARFPLKRK-RNFRBKRXSA-N 0 3 254.294 -1.824 20 0 CAADHN COCCCS(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000226619358 373247202 /nfs/dbraw/zinc/24/72/02/373247202.db2.gz PRTZYGMJICNTCQ-JTQLQIEISA-N 0 3 265.379 -1.073 20 0 CAADHN Nc1nc(N)nc(NC[C@H](CO)[C@H]2CCOC2)n1 ZINC000624179261 373247627 /nfs/dbraw/zinc/24/76/27/373247627.db2.gz RPZNNFARFPLKRK-NKWVEPMBSA-N 0 3 254.294 -1.824 20 0 CAADHN CNC(=O)[C@H](C)CN(C)C(=O)CNC(=O)[C@H](N)C(C)C ZINC000336828344 373248808 /nfs/dbraw/zinc/24/88/08/373248808.db2.gz GVGONSOZXZDDTG-MWLCHTKSSA-N 0 3 286.376 -1.074 20 0 CAADHN CN(CCN1CCNC1=O)C[C@H](O)CN1CCOCC1 ZINC000336832428 373249678 /nfs/dbraw/zinc/24/96/78/373249678.db2.gz FFRBTQOWDCWZBJ-LBPRGKRZSA-N 0 3 286.376 -1.364 20 0 CAADHN CN(CCN1C(=O)CCC1=O)C[C@@H](O)CN1CCOCC1 ZINC000336844097 373249757 /nfs/dbraw/zinc/24/97/57/373249757.db2.gz ZBUGFFPLLXWEME-GFCCVEGCSA-N 0 3 299.371 -1.240 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)C[C@H]1CNCCO1 ZINC000567911448 373257325 /nfs/dbraw/zinc/25/73/25/373257325.db2.gz WUFUIPUEHLRCNL-VIFPVBQESA-N 0 3 287.316 -1.758 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NC[C@](C)(O)CN(C)C ZINC000337427515 373259199 /nfs/dbraw/zinc/25/91/99/373259199.db2.gz XJGGEYXWJLIVAE-NSHDSACASA-N 0 3 295.405 -1.303 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)NC[C@H]1COCCN1C ZINC000637443273 373259214 /nfs/dbraw/zinc/25/92/14/373259214.db2.gz LPRWFVJFBHNEMX-AAEUAGOBSA-N 0 3 288.392 -1.071 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)NC[C@@H]1COCCN1C ZINC000637443274 373259462 /nfs/dbraw/zinc/25/94/62/373259462.db2.gz LPRWFVJFBHNEMX-DGCLKSJQSA-N 0 3 288.392 -1.071 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000337476783 373260949 /nfs/dbraw/zinc/26/09/49/373260949.db2.gz YTZKDUYOBAKRIP-LLVKDONJSA-N 0 3 295.405 -1.257 20 0 CAADHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)C(=O)NCCF ZINC000337535261 373261858 /nfs/dbraw/zinc/26/18/58/373261858.db2.gz HGLKYEBVYLCOLX-WDEREUQCSA-N 0 3 286.351 -1.033 20 0 CAADHN CNC(=O)CNC(=O)NCCCN(C)CCOC ZINC000337514473 373261907 /nfs/dbraw/zinc/26/19/07/373261907.db2.gz HTCOBMJUMPQHRB-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)C(C)(C)NS(C)(=O)=O ZINC000337476784 373262038 /nfs/dbraw/zinc/26/20/38/373262038.db2.gz YTZKDUYOBAKRIP-NSHDSACASA-N 0 3 295.405 -1.257 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000337605391 373263349 /nfs/dbraw/zinc/26/33/49/373263349.db2.gz CYKJEUXBCFYQAY-CABZTGNLSA-N 0 3 272.349 -1.171 20 0 CAADHN COC(=O)c1cn(CC(=O)NC[C@](C)(O)CN(C)C)nn1 ZINC000337573552 373264003 /nfs/dbraw/zinc/26/40/03/373264003.db2.gz TWIFDMDNIBLNMM-LBPRGKRZSA-N 0 3 299.331 -1.507 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)NCCN1CCOCC1 ZINC000337594834 373264394 /nfs/dbraw/zinc/26/43/94/373264394.db2.gz FFYNTVUESLJHKZ-CYBMUJFWSA-N 0 3 288.392 -1.070 20 0 CAADHN COC(=O)c1cn(CC(=O)NC[C@@](C)(O)CN(C)C)nn1 ZINC000337573551 373264927 /nfs/dbraw/zinc/26/49/27/373264927.db2.gz TWIFDMDNIBLNMM-GFCCVEGCSA-N 0 3 299.331 -1.507 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000337605393 373265325 /nfs/dbraw/zinc/26/53/25/373265325.db2.gz CYKJEUXBCFYQAY-JOYOIKCWSA-N 0 3 272.349 -1.171 20 0 CAADHN CC(=O)NCCN(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000563199105 373269515 /nfs/dbraw/zinc/26/95/15/373269515.db2.gz RPAQIGMFTQMXQE-LBPRGKRZSA-N 0 3 298.387 -1.009 20 0 CAADHN C[C@H]1CCN(CCNC(=O)C(=O)NCC(=O)N(C)C)C1 ZINC000525839033 373269889 /nfs/dbraw/zinc/26/98/89/373269889.db2.gz UAOAYANIHCIZBD-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)CNCCOC)C1 ZINC000366333121 373288365 /nfs/dbraw/zinc/28/83/65/373288365.db2.gz LKYVQDFORFRNGB-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN C[C@H](C[NH3+])N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000237607202 373289485 /nfs/dbraw/zinc/28/94/85/373289485.db2.gz BDGOOLPLVFEDQY-MRVPVSSYSA-N 0 3 289.361 -1.496 20 0 CAADHN COCC[C@H](CO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000373955239 373293527 /nfs/dbraw/zinc/29/35/27/373293527.db2.gz BPTAWWIOKXIZHM-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@](C)(O)CN(C)C ZINC000339514177 373293557 /nfs/dbraw/zinc/29/35/57/373293557.db2.gz INPGFVDQZYYQKN-VIFPVBQESA-N 0 3 282.366 -2.531 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000339582654 373293703 /nfs/dbraw/zinc/29/37/03/373293703.db2.gz YXWSZKNFAXAFIV-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000339582616 373294194 /nfs/dbraw/zinc/29/41/94/373294194.db2.gz YXWSZKNFAXAFIV-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CN1CC[C@]2(CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC000366440901 373294416 /nfs/dbraw/zinc/29/44/16/373294416.db2.gz DCVPGTXACXMLIN-ZDUSSCGKSA-N 0 3 292.343 -1.069 20 0 CAADHN COCC[C@@H](CO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000373955238 373294494 /nfs/dbraw/zinc/29/44/94/373294494.db2.gz BPTAWWIOKXIZHM-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000339632351 373296057 /nfs/dbraw/zinc/29/60/57/373296057.db2.gz CPRGFMHFVZCWIQ-VIFPVBQESA-N 0 3 282.344 -1.456 20 0 CAADHN O=C(CN1CCCS1(=O)=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366465787 373296082 /nfs/dbraw/zinc/29/60/82/373296082.db2.gz YOUXAKRGDPKVQG-IUCAKERBSA-N 0 3 279.337 -1.162 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)NCCn1ccnc1 ZINC000339710676 373296536 /nfs/dbraw/zinc/29/65/36/373296536.db2.gz MPNIGZVAUXAYJC-UHFFFAOYSA-N 0 3 297.359 -1.306 20 0 CAADHN COCC(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623866811 373305866 /nfs/dbraw/zinc/30/58/66/373305866.db2.gz HAGXYNSBETWJSO-UHFFFAOYSA-N 0 3 267.293 -2.008 20 0 CAADHN CN1CCC[C@@H](NC(=O)NCCNS(C)(=O)=O)C1 ZINC000052522225 373308235 /nfs/dbraw/zinc/30/82/35/373308235.db2.gz AWFDXHMDTBWJNL-SECBINFHSA-N 0 3 278.378 -1.071 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N1CCNC(C)(C)C1 ZINC000382736605 373309132 /nfs/dbraw/zinc/30/91/32/373309132.db2.gz ISNVPHLKKWHQPW-UHFFFAOYSA-N 0 3 278.378 -1.407 20 0 CAADHN CNC(=O)[C@@H](C)CN(C)[C@@H](C)C(=O)NCC(=O)OC ZINC000267074674 373318440 /nfs/dbraw/zinc/31/84/40/373318440.db2.gz LLETXPQFYMTTSQ-IUCAKERBSA-N 0 3 273.333 -1.022 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCn2cncn2)CC1=O ZINC000266844077 373318552 /nfs/dbraw/zinc/31/85/52/373318552.db2.gz PNDBPZVNLOMCIB-NSHDSACASA-N 0 3 294.359 -1.196 20 0 CAADHN C=CC(=O)NCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000266753578 373319383 /nfs/dbraw/zinc/31/93/83/373319383.db2.gz NNRZOLFWYKCYBU-NSHDSACASA-N 0 3 296.371 -1.185 20 0 CAADHN CNC(=O)[C@@H](C)CN(C)[C@H](C)C(=O)NCC(=O)OC ZINC000267074672 373320354 /nfs/dbraw/zinc/32/03/54/373320354.db2.gz LLETXPQFYMTTSQ-DTWKUNHWSA-N 0 3 273.333 -1.022 20 0 CAADHN CNC(=O)[C@H](C)CN(C)[C@H](C)C(=O)NCC(=O)OC ZINC000267074677 373320978 /nfs/dbraw/zinc/32/09/78/373320978.db2.gz LLETXPQFYMTTSQ-RKDXNWHRSA-N 0 3 273.333 -1.022 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]1N ZINC000331815843 373280639 /nfs/dbraw/zinc/28/06/39/373280639.db2.gz BTTGWDWSGRZLQC-HLTSFMKQSA-N 0 3 261.347 -1.126 20 0 CAADHN CC(=O)NCCN(C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000567964454 373281202 /nfs/dbraw/zinc/28/12/02/373281202.db2.gz ORVQQWBJVUYZJY-LBPRGKRZSA-N 0 3 268.361 -1.029 20 0 CAADHN CCN1CCN(CCC(=O)NCCn2ncnn2)CC1 ZINC000338966541 373285233 /nfs/dbraw/zinc/28/52/33/373285233.db2.gz NMPMGLLGVKDXPC-UHFFFAOYSA-N 0 3 281.364 -1.183 20 0 CAADHN N[C@@H]1CCO[C@@H]1C(=O)NCCCN1CCOCC1 ZINC000638048277 373374621 /nfs/dbraw/zinc/37/46/21/373374621.db2.gz QEBHMFSZFYGDSD-MNOVXSKESA-N 0 3 257.334 -1.059 20 0 CAADHN COC(=O)CNC(=O)CCN[C@@H]1C(=O)NCC[C@H]1C ZINC000282429191 373376701 /nfs/dbraw/zinc/37/67/01/373376701.db2.gz RGINWVBFFGXXNO-KCJUWKMLSA-N 0 3 271.317 -1.220 20 0 CAADHN CN(C)CCNC(=O)NCCN1C(=O)CCC1=O ZINC000270667492 373334129 /nfs/dbraw/zinc/33/41/29/373334129.db2.gz QIDWHIRDWYFQGN-UHFFFAOYSA-N 0 3 256.306 -1.004 20 0 CAADHN COCCN(CCN(C)C)C(=O)Cn1ncn(C)c1=O ZINC000271230489 373335903 /nfs/dbraw/zinc/33/59/03/373335903.db2.gz AYDVMLLQNBDHFL-UHFFFAOYSA-N 0 3 285.348 -1.382 20 0 CAADHN C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638069652 373377406 /nfs/dbraw/zinc/37/74/06/373377406.db2.gz LSIVHYHGHVYWDL-GARJFASQSA-N 0 3 257.334 -1.061 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCOC(N)=O)CC1=O ZINC000272182673 373337485 /nfs/dbraw/zinc/33/74/85/373337485.db2.gz CZLOFACNOXBGRY-SECBINFHSA-N 0 3 286.332 -1.392 20 0 CAADHN Cn1cnn(CC(=O)N2CCCN(C)CC2)c1=O ZINC000272266475 373337954 /nfs/dbraw/zinc/33/79/54/373337954.db2.gz XTZPRSGRIZQFST-UHFFFAOYSA-N 0 3 253.306 -1.254 20 0 CAADHN CCOC(=O)C(=O)N1CCN(C(=O)[C@H](C)N)CC1 ZINC000272524833 373340953 /nfs/dbraw/zinc/34/09/53/373340953.db2.gz ZUVWHVKPUUSILK-QMMMGPOBSA-N 0 3 257.290 -1.433 20 0 CAADHN NC(C(=O)N1CCN(S(N)(=O)=O)CC1)C(F)(F)F ZINC000353174894 373343011 /nfs/dbraw/zinc/34/30/11/373343011.db2.gz WOLDNMJZWBASBI-YFKPBYRVSA-N 0 3 290.267 -1.776 20 0 CAADHN CC[C@@H](C(=O)N(CC(N)=O)CC(N)=O)N(CC)CC ZINC000274079820 373346256 /nfs/dbraw/zinc/34/62/56/373346256.db2.gz QKGXCLAXZKZRDC-VIFPVBQESA-N 0 3 272.349 -1.094 20 0 CAADHN COC[C@@]1(C(=O)NCC(=O)N2CCNCC2)CCCCN1 ZINC000637813268 373350408 /nfs/dbraw/zinc/35/04/08/373350408.db2.gz OIGMZAZTLHGBQF-CQSZACIVSA-N 0 3 298.387 -1.307 20 0 CAADHN C[C@H]1CN(C)C[C@@H](C(=O)NCC(=O)N2CCNCC2)O1 ZINC000637813073 373350730 /nfs/dbraw/zinc/35/07/30/373350730.db2.gz JBEMWDNEYRVHSH-QWRGUYRKSA-N 0 3 284.360 -1.747 20 0 CAADHN O=C(CNC(=O)[C@@H]1CN2CCC[C@H]2CO1)N1CCNCC1 ZINC000637812805 373351687 /nfs/dbraw/zinc/35/16/87/373351687.db2.gz CPBJWMDESDCRNI-RYUDHWBXSA-N 0 3 296.371 -1.602 20 0 CAADHN O=C(CNC(=O)[C@H]1CN2CCC[C@@H]2CO1)N1CCNCC1 ZINC000637812806 373352398 /nfs/dbraw/zinc/35/23/98/373352398.db2.gz CPBJWMDESDCRNI-VXGBXAGGSA-N 0 3 296.371 -1.602 20 0 CAADHN C[C@H](C(=O)N1CCNC[C@H]1C)N1CCNCC1=O ZINC000637819841 373353426 /nfs/dbraw/zinc/35/34/26/373353426.db2.gz YKHCYTBBIVUMMQ-NXEZZACHSA-N 0 3 254.334 -1.373 20 0 CAADHN CO[C@@H]1CN[C@](C)(C(=O)NCC(=O)N2CCNCC2)C1 ZINC000637811069 373355245 /nfs/dbraw/zinc/35/52/45/373355245.db2.gz QBJFZQBURPSUEU-GWCFXTLKSA-N 0 3 284.360 -1.699 20 0 CAADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000637881182 373356094 /nfs/dbraw/zinc/35/60/94/373356094.db2.gz DYXUGFFWNXCUDU-UTUOFQBUSA-N 0 3 297.355 -1.048 20 0 CAADHN C[C@@H](C(=O)N1CCN(C)C[C@@H]1CN)N1CCNCC1=O ZINC000637865054 373357319 /nfs/dbraw/zinc/35/73/19/373357319.db2.gz ZMYNPDMGBJDTTI-QWRGUYRKSA-N 0 3 283.376 -2.092 20 0 CAADHN Cn1c(C(=O)N2CCN(C)C[C@@H]2CN)c[nH]c1=O ZINC000637863812 373357343 /nfs/dbraw/zinc/35/73/43/373357343.db2.gz HGPZZCFCQSRBGI-QMMMGPOBSA-N 0 3 253.306 -1.159 20 0 CAADHN COCCNC(=O)CNC(=O)[C@]1(C)C[C@H](OC)CN1 ZINC000637896831 373360908 /nfs/dbraw/zinc/36/09/08/373360908.db2.gz PXSLRURQSCHULJ-CABZTGNLSA-N 0 3 273.333 -1.368 20 0 CAADHN O=C(CN1CCNCC1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000637955312 373362431 /nfs/dbraw/zinc/36/24/31/373362431.db2.gz KGXOZMJNVBTBIL-GFCCVEGCSA-N 0 3 295.387 -1.092 20 0 CAADHN CCS(=O)(=O)NCCCNC(=O)CN1CCNCC1 ZINC000637966588 373363054 /nfs/dbraw/zinc/36/30/54/373363054.db2.gz AKFLXGSOAOEGOW-UHFFFAOYSA-N 0 3 292.405 -1.663 20 0 CAADHN CN(CC(=O)N1CCOCC1)C(=O)CN1CCNCC1 ZINC000637928212 373363607 /nfs/dbraw/zinc/36/36/07/373363607.db2.gz SSGBVFNEJPIOST-UHFFFAOYSA-N 0 3 284.360 -1.791 20 0 CAADHN Cc1nc2n(n1)C[C@H](NC(=O)CN1CCNCC1)CC2 ZINC000637978543 373364638 /nfs/dbraw/zinc/36/46/38/373364638.db2.gz XEYQBDOKHCBDEI-LLVKDONJSA-N 0 3 278.360 -1.077 20 0 CAADHN NC[C@]1(C(=O)N2CCS(=O)(=O)CC2)CCCOC1 ZINC000637977732 373364756 /nfs/dbraw/zinc/36/47/56/373364756.db2.gz LBYVHGHWSANZST-LLVKDONJSA-N 0 3 276.358 -1.001 20 0 CAADHN COC[C@@]1(C(=O)N2CCO[C@@H](C(N)=O)C2)CCCCN1 ZINC000637971036 373365592 /nfs/dbraw/zinc/36/55/92/373365592.db2.gz UCTBXAAFGUPOSI-ZWNOBZJWSA-N 0 3 285.344 -1.142 20 0 CAADHN C[C@@H](CS(C)(=O)=O)N(C)C(=O)CN1CCNCC1 ZINC000637995796 373366022 /nfs/dbraw/zinc/36/60/22/373366022.db2.gz BAFVFWKBYOUCHN-JTQLQIEISA-N 0 3 277.390 -1.217 20 0 CAADHN CCN[C@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC ZINC000637982027 373366236 /nfs/dbraw/zinc/36/62/36/373366236.db2.gz ONFZWLDACZHREG-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN NC[C@@]1(C(=O)N2CCS(=O)(=O)CC2)CCCOC1 ZINC000637977739 373366298 /nfs/dbraw/zinc/36/62/98/373366298.db2.gz LBYVHGHWSANZST-NSHDSACASA-N 0 3 276.358 -1.001 20 0 CAADHN N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000638003761 373367331 /nfs/dbraw/zinc/36/73/31/373367331.db2.gz SQEMISDUUSYQCA-NMLBEHRDSA-N 0 3 253.302 -1.018 20 0 CAADHN CCOC(=O)C(=O)N1CCN(C(=O)CNC)CC1 ZINC000281461953 373368519 /nfs/dbraw/zinc/36/85/19/373368519.db2.gz MRPFCJQRLLLYHH-UHFFFAOYSA-N 0 3 257.290 -1.560 20 0 CAADHN CCNC(=O)N1CC[C@H](NC(=O)CN2CCNCC2)C1 ZINC000638041547 373370178 /nfs/dbraw/zinc/37/01/78/373370178.db2.gz LRSSULFDVNHOMT-NSHDSACASA-N 0 3 283.376 -1.188 20 0 CAADHN CC[C@H](NC(=O)CN1CCNCC1)C(=O)N1CCOCC1 ZINC000638028732 373370512 /nfs/dbraw/zinc/37/05/12/373370512.db2.gz ISXRFEQNVJPAAS-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)N1CCNCC1=O)N(C)C ZINC000638080182 373379004 /nfs/dbraw/zinc/37/90/04/373379004.db2.gz LNXWDRHBKMFASW-UWVGGRQHSA-N 0 3 256.350 -1.127 20 0 CAADHN CC1(C)CN(C(=O)CN2CCNCC2)CCS1(=O)=O ZINC000638025271 373371435 /nfs/dbraw/zinc/37/14/35/373371435.db2.gz GBFTYNHPHSXHHQ-UHFFFAOYSA-N 0 3 289.401 -1.073 20 0 CAADHN CC[C@H](NC(=O)[C@@H]1OCC[C@@H]1N)C(=O)N1CCOCC1 ZINC000638028877 373371532 /nfs/dbraw/zinc/37/15/32/373371532.db2.gz JUBBVHANMOJCQZ-GARJFASQSA-N 0 3 285.344 -1.144 20 0 CAADHN CC(C)NC(=O)CN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638055204 373372896 /nfs/dbraw/zinc/37/28/96/373372896.db2.gz GQYYYMSJBMPPQS-WCQYABFASA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@@H](C(N)=O)O1 ZINC000638503074 373430119 /nfs/dbraw/zinc/43/01/19/373430119.db2.gz ZTDYUKUYKLDXHT-NGJCXOISSA-N 0 3 269.223 -1.023 20 0 CAADHN O=C(NC[C@@H]1C[C@H](F)CN1)C1CS(=O)(=O)C1 ZINC000638249166 373403721 /nfs/dbraw/zinc/40/37/21/373403721.db2.gz VIJCCFQWEPTHLP-YUMQZZPRSA-N 0 3 250.295 -1.153 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)O1 ZINC000638246308 373403943 /nfs/dbraw/zinc/40/39/43/373403943.db2.gz APEPPZNWNUHITE-XSPKLOCKSA-N 0 3 259.281 -1.165 20 0 CAADHN CCNC(=O)CN1CCCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638275546 373405385 /nfs/dbraw/zinc/40/53/85/373405385.db2.gz UKCADYKYXWULCD-WCQYABFASA-N 0 3 298.387 -1.227 20 0 CAADHN CO[C@]1(CNCCNS(C)(=O)=O)CCOC1 ZINC000638278223 373405809 /nfs/dbraw/zinc/40/58/09/373405809.db2.gz YPTKOZAWDFYCEX-VIFPVBQESA-N 0 3 252.336 -1.069 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2C[C@H](O)C[C@H]2CO)CC1=O ZINC000366644550 373406029 /nfs/dbraw/zinc/40/60/29/373406029.db2.gz QWEGMXBAPFOKRL-SDDRHHMPSA-N 0 3 299.371 -1.649 20 0 CAADHN COC[C@]1(C(=O)NCCn2ncnn2)CCCCN1 ZINC000638285364 373408889 /nfs/dbraw/zinc/40/88/89/373408889.db2.gz KHGNGYOSSDTJQV-NSHDSACASA-N 0 3 268.321 -1.052 20 0 CAADHN COC[C@@]1(C(=O)NCCn2ncnn2)CCCCN1 ZINC000638285357 373408929 /nfs/dbraw/zinc/40/89/29/373408929.db2.gz KHGNGYOSSDTJQV-LLVKDONJSA-N 0 3 268.321 -1.052 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)CN1C(=O)CN(C)C1=O ZINC000287317850 373410020 /nfs/dbraw/zinc/41/00/20/373410020.db2.gz WSARBHYLKGMKGZ-QMMMGPOBSA-N 0 3 256.306 -1.053 20 0 CAADHN COCCN1CCCN(C(=O)CN2CCNCC2)CC1=O ZINC000638306174 373411523 /nfs/dbraw/zinc/41/15/23/373411523.db2.gz JUUGIFNJHNAIJA-UHFFFAOYSA-N 0 3 298.387 -1.401 20 0 CAADHN CN(C)C(=O)NCCN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638308910 373411935 /nfs/dbraw/zinc/41/19/35/373411935.db2.gz OHZYZEXOEXBIMG-DTWKUNHWSA-N 0 3 258.322 -1.168 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)NCCN1C(=O)CNC1=O ZINC000287618036 373412510 /nfs/dbraw/zinc/41/25/10/373412510.db2.gz OJSJVYTVIYAJQA-QMMMGPOBSA-N 0 3 271.321 -1.213 20 0 CAADHN CN1CC[C@@](C)(C(=O)NC[C@@H]2CNCCO2)C1=O ZINC000638338523 373416744 /nfs/dbraw/zinc/41/67/44/373416744.db2.gz YCXLPEMUERFGME-CABZTGNLSA-N 0 3 255.318 -1.041 20 0 CAADHN C[C@H](C(=O)NC[C@@H]1CNCCO1)N1CCNCC1=O ZINC000638338533 373416807 /nfs/dbraw/zinc/41/68/07/373416807.db2.gz YKOMXRLFVDURDV-ZJUUUORDSA-N 0 3 270.333 -2.089 20 0 CAADHN CNC(=O)NC[C@H]1CN(C(=O)C(C)(C)N)CCO1 ZINC000638500282 373430867 /nfs/dbraw/zinc/43/08/67/373430867.db2.gz PPAVMWBXTOOAHK-QMMMGPOBSA-N 0 3 258.322 -1.120 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000353510419 373418492 /nfs/dbraw/zinc/41/84/92/373418492.db2.gz JFNQEBWOZHBTNK-PWSUYJOCSA-N 0 3 298.387 -1.229 20 0 CAADHN CN(CCN1CCCS1(=O)=O)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638370811 373419948 /nfs/dbraw/zinc/41/99/48/373419948.db2.gz MLULRMSKWKUIOU-VHSXEESVSA-N 0 3 291.373 -1.404 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)CN2CCNCC2)CS1(=O)=O ZINC000638414625 373420464 /nfs/dbraw/zinc/42/04/64/373420464.db2.gz SIWCKIRUPUXQBU-GHMZBOCLSA-N 0 3 289.401 -1.027 20 0 CAADHN CN(C[C@@H]1COCCO1)C(=O)CN1CCNCC1 ZINC000638414396 373420915 /nfs/dbraw/zinc/42/09/15/373420915.db2.gz PBWSPWVBTVJYMU-LLVKDONJSA-N 0 3 257.334 -1.235 20 0 CAADHN CCN1C[C@H](CNC(=O)CN2CCNCC2)CC1=O ZINC000638390513 373420981 /nfs/dbraw/zinc/42/09/81/373420981.db2.gz MJWWSVHUWZRNES-NSHDSACASA-N 0 3 268.361 -1.124 20 0 CAADHN CN(C[C@H]1COCCO1)C(=O)CN1CCNCC1 ZINC000638414397 373421008 /nfs/dbraw/zinc/42/10/08/373421008.db2.gz PBWSPWVBTVJYMU-NSHDSACASA-N 0 3 257.334 -1.235 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C[C@H](C)N)C[C@H]21 ZINC000638422039 373422588 /nfs/dbraw/zinc/42/25/88/373422588.db2.gz DPJQOYDNODRDOR-QEYWKRMJSA-N 0 3 276.358 -1.006 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C1(N)CC1 ZINC000638445710 373422918 /nfs/dbraw/zinc/42/29/18/373422918.db2.gz HXZFUHGLFBDIHY-SNVBAGLBSA-N 0 3 257.334 -1.371 20 0 CAADHN N[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000638424299 373423042 /nfs/dbraw/zinc/42/30/42/373423042.db2.gz HANOLAGSHDCFSD-TUAOUCFPSA-N 0 3 268.361 -1.391 20 0 CAADHN C[C@@]1(C(=O)NC[C@H]2CN3CCN2CCC3)CNCCO1 ZINC000638427957 373423349 /nfs/dbraw/zinc/42/33/49/373423349.db2.gz XXETUGAAZCJNQV-JSGCOSHPSA-N 0 3 282.388 -1.129 20 0 CAADHN C[C@]1(C(=O)N2CCOC3(CNC3)C2)CNCCO1 ZINC000638437850 373423386 /nfs/dbraw/zinc/42/33/86/373423386.db2.gz PNPARKZIWDYQPX-LLVKDONJSA-N 0 3 255.318 -1.434 20 0 CAADHN C[C@H](C(=O)N1CCOC2(CNC2)C1)N1CCNCC1=O ZINC000638438759 373423567 /nfs/dbraw/zinc/42/35/67/373423567.db2.gz ZOZGJMWBLIGPQE-SNVBAGLBSA-N 0 3 282.344 -1.993 20 0 CAADHN CN1C(=O)CN(CC(=O)N2CC[C@@H](F)[C@H](N)C2)C1=O ZINC000638431357 373423615 /nfs/dbraw/zinc/42/36/15/373423615.db2.gz RKUWICAYPWLUOT-HTQZYQBOSA-N 0 3 272.280 -1.222 20 0 CAADHN CC1(OCC(=O)N2CCN(c3nccnn3)CC2)CNC1 ZINC000638463073 373424737 /nfs/dbraw/zinc/42/47/37/373424737.db2.gz BULCTDFPBDWRFY-UHFFFAOYSA-N 0 3 292.343 -1.101 20 0 CAADHN O=C(CNC1CC1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638479617 373424768 /nfs/dbraw/zinc/42/47/68/373424768.db2.gz AOLKOEUKJRDMKG-UHFFFAOYSA-N 0 3 295.387 -1.092 20 0 CAADHN CNCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000638493909 373424968 /nfs/dbraw/zinc/42/49/68/373424968.db2.gz OSXMOVLRIOXGOZ-UHFFFAOYSA-N 0 3 261.347 -1.158 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638504318 373431212 /nfs/dbraw/zinc/43/12/12/373431212.db2.gz XFSRZJPOMRDBFF-QMMMGPOBSA-N 0 3 266.301 -1.061 20 0 CAADHN CC(C)(N)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638476764 373425424 /nfs/dbraw/zinc/42/54/24/373425424.db2.gz KALCDRKBTQZTCA-UHFFFAOYSA-N 0 3 283.376 -1.107 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000638492789 373426500 /nfs/dbraw/zinc/42/65/00/373426500.db2.gz BKOHMELHPHZQLA-MRVPVSSYSA-N 0 3 261.347 -1.030 20 0 CAADHN CNC(=O)NC[C@H]1CN(C(=O)[C@H](C)NC)CCO1 ZINC000638497180 373428276 /nfs/dbraw/zinc/42/82/76/373428276.db2.gz DVVYBFRMAOHOFG-IUCAKERBSA-N 0 3 258.322 -1.249 20 0 CAADHN CNC(=O)NC[C@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000638498128 373428457 /nfs/dbraw/zinc/42/84/57/373428457.db2.gz IDOGRDMDLPAPGD-NSHDSACASA-N 0 3 299.375 -1.952 20 0 CAADHN CCN[C@H](C)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000638074322 373379824 /nfs/dbraw/zinc/37/98/24/373379824.db2.gz LNSILABYRZWGON-SNVBAGLBSA-N 0 3 277.390 -1.169 20 0 CAADHN CCNC(=O)NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000283159634 373380209 /nfs/dbraw/zinc/38/02/09/373380209.db2.gz VPSCRDSXILWRSM-ZCFIWIBFSA-N 0 3 292.317 -1.761 20 0 CAADHN CNC(=O)NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000283025779 373380234 /nfs/dbraw/zinc/38/02/34/373380234.db2.gz MMQQJIIWCPHIGC-RXMQYKEDSA-N 0 3 278.290 -2.151 20 0 CAADHN C[C@H](CNC(=O)[C@@H](C)N1CCNCC1=O)N(C)C ZINC000638080181 373380290 /nfs/dbraw/zinc/38/02/90/373380290.db2.gz LNXWDRHBKMFASW-NXEZZACHSA-N 0 3 256.350 -1.127 20 0 CAADHN CNC(=O)NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000283025785 373380381 /nfs/dbraw/zinc/38/03/81/373380381.db2.gz MMQQJIIWCPHIGC-YFKPBYRVSA-N 0 3 278.290 -2.151 20 0 CAADHN C[C@@H](CNC(=O)CN1CCNCC1)CN1CCOCC1 ZINC000638091036 373382102 /nfs/dbraw/zinc/38/21/02/373382102.db2.gz OFHRLCYHAZXTCK-ZDUSSCGKSA-N 0 3 284.404 -1.024 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638098229 373382473 /nfs/dbraw/zinc/38/24/73/373382473.db2.gz LCUBGBXBEFDTQS-OUAUKWLOSA-N 0 3 257.334 -1.061 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN(C)C(=O)COC)C1 ZINC000340163228 373382525 /nfs/dbraw/zinc/38/25/25/373382525.db2.gz XEKDPULJKLCHBB-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC000340163241 373382591 /nfs/dbraw/zinc/38/25/91/373382591.db2.gz XEKDPULJKLCHBB-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN C[C@H]1CN(CCNC(=O)CN2CCNCC2)CCO1 ZINC000638089550 373382630 /nfs/dbraw/zinc/38/26/30/373382630.db2.gz BEYLJHYERRJJSM-LBPRGKRZSA-N 0 3 270.377 -1.272 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000340180691 373385027 /nfs/dbraw/zinc/38/50/27/373385027.db2.gz LDHQIDQLZXOAIT-MRVPVSSYSA-N 0 3 268.317 -1.717 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638101391 373385266 /nfs/dbraw/zinc/38/52/66/373385266.db2.gz PLAMMXMQXBATFP-GARJFASQSA-N 0 3 257.334 -1.061 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@H](C)N2CCNCC2=O)C1 ZINC000638098511 373385846 /nfs/dbraw/zinc/38/58/46/373385846.db2.gz BGFJZTDMJMJFHO-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CC(C)(C(N)=O)N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638126000 373387532 /nfs/dbraw/zinc/38/75/32/373387532.db2.gz OJFDSVFLFOMGFX-UHFFFAOYSA-N 0 3 297.403 -1.700 20 0 CAADHN CN1CCN(C)[C@@H](CNC(=O)[C@@]2(C)CNCCO2)C1 ZINC000638139564 373391183 /nfs/dbraw/zinc/39/11/83/373391183.db2.gz MCJYRUCHTFLNQW-WCQYABFASA-N 0 3 270.377 -1.273 20 0 CAADHN CN1CCN(C)[C@H](CNC(=O)[C@]2(C)CNCCO2)C1 ZINC000638139565 373391308 /nfs/dbraw/zinc/39/13/08/373391308.db2.gz MCJYRUCHTFLNQW-YPMHNXCESA-N 0 3 270.377 -1.273 20 0 CAADHN COCCNCCNC(=O)C1CS(=O)(=O)C1 ZINC000638151986 373392540 /nfs/dbraw/zinc/39/25/40/373392540.db2.gz HRSHHUMRFXJIMV-UHFFFAOYSA-N 0 3 250.320 -1.617 20 0 CAADHN CN1CCN(C)[C@H](CNC(=O)[C@@]2(C)CNCCO2)C1 ZINC000638139562 373392924 /nfs/dbraw/zinc/39/29/24/373392924.db2.gz MCJYRUCHTFLNQW-DGCLKSJQSA-N 0 3 270.377 -1.273 20 0 CAADHN C[C@@H](C(=O)N1CCCN(C)CC1)N1CCNCC1=O ZINC000638168445 373395492 /nfs/dbraw/zinc/39/54/92/373395492.db2.gz FPQTYNVMCPQSRT-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@@H](C(N)=O)O1 ZINC000638503076 373429965 /nfs/dbraw/zinc/42/99/65/373429965.db2.gz ZTDYUKUYKLDXHT-SRQIZXRXSA-N 0 3 269.223 -1.023 20 0 CAADHN CN(CCOCCN(C)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000340225440 373400622 /nfs/dbraw/zinc/40/06/22/373400622.db2.gz JCXARJBMNLYAPU-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CCOC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000295260437 373440370 /nfs/dbraw/zinc/44/03/70/373440370.db2.gz GYDYHHQAHPRKAC-LURJTMIESA-N 0 3 250.276 -1.043 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC[C@@H]2COCCN2)C1=O ZINC000638612454 373441802 /nfs/dbraw/zinc/44/18/02/373441802.db2.gz BCDPXJOJHMPTGM-MNOVXSKESA-N 0 3 284.360 -1.569 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@@H]2COCCN2)C1 ZINC000638616015 373445050 /nfs/dbraw/zinc/44/50/50/373445050.db2.gz LFRWVVFLTDINEZ-MNOVXSKESA-N 0 3 257.334 -1.188 20 0 CAADHN O=C(NC[C@@H]1COCCN1)[C@@H]1CN2CCC[C@H]2CO1 ZINC000638612878 373445523 /nfs/dbraw/zinc/44/55/23/373445523.db2.gz SVTRFMYXGVDNSH-WOPDTQHZSA-N 0 3 269.345 -1.046 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)CN1CCNCC1 ZINC000638611843 373445605 /nfs/dbraw/zinc/44/56/05/373445605.db2.gz QXJOCBORNYOOQC-NSHDSACASA-N 0 3 256.350 -1.662 20 0 CAADHN C[C@@H](CN1CCCC1=O)Nc1nc(N)nc(N)n1 ZINC000623877498 373446306 /nfs/dbraw/zinc/44/63/06/373446306.db2.gz DCNFVSPPIOKUCY-LURJTMIESA-N 0 3 251.294 -1.459 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)COC1(C)CNC1 ZINC000638612607 373446348 /nfs/dbraw/zinc/44/63/48/373446348.db2.gz VTEOPWPCLBOMAA-JTQLQIEISA-N 0 3 257.334 -1.188 20 0 CAADHN O=C(NC[C@@H]1COCCN1)[C@H]1CN2CCC[C@@H]2CO1 ZINC000638612876 373446402 /nfs/dbraw/zinc/44/64/02/373446402.db2.gz SVTRFMYXGVDNSH-IJLUTSLNSA-N 0 3 269.345 -1.046 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)NC[C@@H]1COCCN1 ZINC000638626002 373447937 /nfs/dbraw/zinc/44/79/37/373447937.db2.gz WOAHWRNGSWZYMS-MNOVXSKESA-N 0 3 257.334 -1.140 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2COCCN2)CC1=O ZINC000638619300 373448737 /nfs/dbraw/zinc/44/87/37/373448737.db2.gz RWYPATVVVACIMD-NWDGAFQWSA-N 0 3 298.387 -1.499 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)CC(=O)N1 ZINC000298111765 373450913 /nfs/dbraw/zinc/45/09/13/373450913.db2.gz ORLNYLIDESAKFG-SECBINFHSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)C[NH2+]1 ZINC000638650078 373451292 /nfs/dbraw/zinc/45/12/92/373451292.db2.gz RZWOMHAOPRAQPD-JGVFFNPUSA-N 0 3 254.290 -1.205 20 0 CAADHN CNC(=O)NCC(=O)NCCN(C)CCCOC ZINC000340582717 373451600 /nfs/dbraw/zinc/45/16/00/373451600.db2.gz UKHALNAZTNXNCG-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)CN2CC(=O)[N-]C2=O)C[NH2+]1 ZINC000638650080 373452830 /nfs/dbraw/zinc/45/28/30/373452830.db2.gz RZWOMHAOPRAQPD-YUMQZZPRSA-N 0 3 254.290 -1.205 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000298745464 373457236 /nfs/dbraw/zinc/45/72/36/373457236.db2.gz POSNORGLPXYWIL-SECBINFHSA-N 0 3 270.333 -1.647 20 0 CAADHN O=C(CNC(=O)CN1CCNCC1)NCC(F)(F)F ZINC000393723002 373481607 /nfs/dbraw/zinc/48/16/07/373481607.db2.gz KMFJMUOMQPSNHF-UHFFFAOYSA-N 0 3 282.266 -1.314 20 0 CAADHN COC[C@H](CNC[C@@H](O)CN1CCOCC1)OC ZINC000300579532 373460202 /nfs/dbraw/zinc/46/02/02/373460202.db2.gz SUZVZEYZXCVKQL-NEPJUHHUSA-N 0 3 262.350 -1.070 20 0 CAADHN CC1(OCC(=O)N2CCO[C@@H](CC(N)=O)C2)CNC1 ZINC000638724540 373460474 /nfs/dbraw/zinc/46/04/74/373460474.db2.gz PLRWEOCRJUTWTI-VIFPVBQESA-N 0 3 271.317 -1.532 20 0 CAADHN NC(=O)C[C@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000638724465 373460713 /nfs/dbraw/zinc/46/07/13/373460713.db2.gz NYJJAPLUNTXWSY-CAHLUQPWSA-N 0 3 269.223 -1.021 20 0 CAADHN CC(C)NCC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000638746855 373461995 /nfs/dbraw/zinc/46/19/95/373461995.db2.gz DLSBCMORLQJPSZ-SNVBAGLBSA-N 0 3 293.389 -1.239 20 0 CAADHN CN[C@@H](C)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000638746410 373462080 /nfs/dbraw/zinc/46/20/80/373462080.db2.gz ACRXIIGHDDJKQT-DTWKUNHWSA-N 0 3 279.362 -1.629 20 0 CAADHN CCN[C@@H](C)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000638747699 373462105 /nfs/dbraw/zinc/46/21/05/373462105.db2.gz HZYIZLOYYMWUIV-VHSXEESVSA-N 0 3 293.389 -1.239 20 0 CAADHN C[C@]12CN(C(=O)C[C@@H]3CNCCO3)C[C@]1(C)C(=O)NC2=O ZINC000638849673 373481748 /nfs/dbraw/zinc/48/17/48/373481748.db2.gz ZLCFNCSAOPXZIO-OWYVNGRQSA-N 0 3 295.339 -1.124 20 0 CAADHN COCCCN(C)CCNC(=O)NC(CO)CO ZINC000341203085 373467373 /nfs/dbraw/zinc/46/73/73/373467373.db2.gz QINKMWQRIDKPSE-UHFFFAOYSA-N 0 3 263.338 -1.393 20 0 CAADHN COCCN1CC[C@@H](NCc2cn(C)c(=O)n(C)c2=O)C1 ZINC000341219344 373467502 /nfs/dbraw/zinc/46/75/02/373467502.db2.gz KYBTUURDVYPLJO-GFCCVEGCSA-N 0 3 296.371 -1.106 20 0 CAADHN C[C@]12CN(C(=O)C[C@H]3CNCCO3)C[C@@]1(C)C(=O)NC2=O ZINC000638849674 373482072 /nfs/dbraw/zinc/48/20/72/373482072.db2.gz ZLCFNCSAOPXZIO-QCZZGDTMSA-N 0 3 295.339 -1.124 20 0 CAADHN CCN1CCN([C@@H](C)CNS(N)(=O)=O)CC1 ZINC000341551744 373471342 /nfs/dbraw/zinc/47/13/42/373471342.db2.gz RXKFLLWMHCLNOC-VIFPVBQESA-N 0 3 250.368 -1.195 20 0 CAADHN CC(C(=O)N(C)[C@@H]1COC[C@H]1O)S(C)(=O)=O ZINC000342348168 373473529 /nfs/dbraw/zinc/47/35/29/373473529.db2.gz SJRYWTAXZIVJGE-BWZBUEFSSA-N 0 3 251.304 -1.362 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)[C@H](C)CO)n1 ZINC000342350490 373473822 /nfs/dbraw/zinc/47/38/22/373473822.db2.gz OPDOUFSYGVHBDP-NXEZZACHSA-N 0 3 298.391 -1.209 20 0 CAADHN C[C@H](CNC(=O)C(=O)N1CCNC(=O)[C@H]1C)N(C)C1CC1 ZINC000342099715 373474192 /nfs/dbraw/zinc/47/41/92/373474192.db2.gz BULFGLBWEOKJDU-NXEZZACHSA-N 0 3 296.371 -1.068 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N1CCNC(=O)[C@@H]1C)N(C)C1CC1 ZINC000342099726 373474501 /nfs/dbraw/zinc/47/45/01/373474501.db2.gz BULFGLBWEOKJDU-UWVGGRQHSA-N 0 3 296.371 -1.068 20 0 CAADHN CC(C(=O)N(C)[C@H]1COC[C@H]1O)S(C)(=O)=O ZINC000342348176 373474607 /nfs/dbraw/zinc/47/46/07/373474607.db2.gz SJRYWTAXZIVJGE-GJMOJQLCSA-N 0 3 251.304 -1.362 20 0 CAADHN CNC(=O)N[C@H]1CCN(CCC(=O)NCC(=O)OC)C1 ZINC000342353922 373475032 /nfs/dbraw/zinc/47/50/32/373475032.db2.gz KOWNCOJCRQAVIS-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN COCCN(C)CCNC(=O)[C@H](CO)NC(=O)C(C)C ZINC000342365296 373475736 /nfs/dbraw/zinc/47/57/36/373475736.db2.gz CFJAOVITOUOXES-NSHDSACASA-N 0 3 289.376 -1.186 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H](CO)NC(=O)C(C)C ZINC000342365295 373476408 /nfs/dbraw/zinc/47/64/08/373476408.db2.gz CFJAOVITOUOXES-LLVKDONJSA-N 0 3 289.376 -1.186 20 0 CAADHN CNCC(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000638798376 373477763 /nfs/dbraw/zinc/47/77/63/373477763.db2.gz UXGWJDWYXBMXRI-VIFPVBQESA-N 0 3 263.363 -1.006 20 0 CAADHN C[C@]12CN(C(=O)CN3CCNCC3)C[C@@]1(C)C(=O)NC2=O ZINC000638848757 373478915 /nfs/dbraw/zinc/47/89/15/373478915.db2.gz LTRNWVHBWJCXDD-OKILXGFUSA-N 0 3 294.355 -1.597 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCNCC2)C1=O ZINC000638826832 373479592 /nfs/dbraw/zinc/47/95/92/373479592.db2.gz VQJVZDIPGJKAEX-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN CC1(OCC(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CNC1 ZINC000638848300 373479738 /nfs/dbraw/zinc/47/97/38/373479738.db2.gz GCSPGGHKKKCJRK-KBPBESRZSA-N 0 3 295.339 -1.124 20 0 CAADHN C[C@@]12CN(C(=O)C3(N)CC3)C[C@@]1(C)C(=O)NC2=O ZINC000638848823 373480223 /nfs/dbraw/zinc/48/02/23/373480223.db2.gz NJTYXUXNZXBJAC-QWRGUYRKSA-N 0 3 251.286 -1.011 20 0 CAADHN COCCNCC(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000638848663 373480277 /nfs/dbraw/zinc/48/02/77/373480277.db2.gz JXGISUGLEOSOBS-BETUJISGSA-N 0 3 283.328 -1.266 20 0 CAADHN CC1(OCC(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CNC1 ZINC000638848302 373480324 /nfs/dbraw/zinc/48/03/24/373480324.db2.gz GCSPGGHKKKCJRK-ZIAGYGMSSA-N 0 3 295.339 -1.124 20 0 CAADHN CCN(CCO)CCNC(=O)C(=O)NCC(=O)N(C)C ZINC000340466400 373435108 /nfs/dbraw/zinc/43/51/08/373435108.db2.gz YKGHWJQCIPDMQP-UHFFFAOYSA-N 0 3 288.348 -2.379 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)NCCNc1ccncc1 ZINC000340461201 373435843 /nfs/dbraw/zinc/43/58/43/373435843.db2.gz PRXORRAYOUNUOD-UHFFFAOYSA-N 0 3 293.327 -1.764 20 0 CAADHN CN(CCN1CCCC1)C(=O)[C@H](CO)NC(N)=O ZINC000330540710 373490479 /nfs/dbraw/zinc/49/04/79/373490479.db2.gz HLLQDEXTSRKJGN-VIFPVBQESA-N 0 3 258.322 -1.016 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)CNC[C@@H]1CCCO1 ZINC000638979368 373492144 /nfs/dbraw/zinc/49/21/44/373492144.db2.gz CDLAMTXGYQLZGO-JTQLQIEISA-N 0 3 293.389 -1.190 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)COC1(C)CNC1 ZINC000638979516 373492325 /nfs/dbraw/zinc/49/23/25/373492325.db2.gz DFGWKVOGTXZZDE-UHFFFAOYSA-N 0 3 279.362 -1.580 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)CCOC1CNC1 ZINC000638980490 373492780 /nfs/dbraw/zinc/49/27/80/373492780.db2.gz MSPCLWORMKFNDD-UHFFFAOYSA-N 0 3 279.362 -1.580 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)CN1CCNCC1 ZINC000638980108 373493197 /nfs/dbraw/zinc/49/31/97/373493197.db2.gz JYAJUVIDABWWKS-UHFFFAOYSA-N 0 3 278.378 -2.053 20 0 CAADHN CNC(=O)NC[C@H]1COCCN1C(=O)[C@H](C)NC ZINC000639003834 373494209 /nfs/dbraw/zinc/49/42/09/373494209.db2.gz KLZVOBOPXJSMKQ-IUCAKERBSA-N 0 3 258.322 -1.249 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCN2CCNC(=O)C2)C1 ZINC000563722556 373496994 /nfs/dbraw/zinc/49/69/94/373496994.db2.gz GTHKDXPPLCVVCU-NSHDSACASA-N 0 3 268.361 -1.124 20 0 CAADHN CNS(=O)(=O)CCNC[C@@]1(OC)CCOC1 ZINC000639087531 373497418 /nfs/dbraw/zinc/49/74/18/373497418.db2.gz HZMFSXNMTOASQY-VIFPVBQESA-N 0 3 252.336 -1.069 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCO[C@@H](C(N)=O)C1)C1CC1 ZINC000343294117 373498476 /nfs/dbraw/zinc/49/84/76/373498476.db2.gz IWTLXCJFWOOPEK-SNVBAGLBSA-N 0 3 298.343 -2.091 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@@H](O)CN1CCOCC1 ZINC000405384890 373499760 /nfs/dbraw/zinc/49/97/60/373499760.db2.gz FVTSFOMUCVFOLN-LLVKDONJSA-N 0 3 295.405 -1.840 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000457097199 373500976 /nfs/dbraw/zinc/50/09/76/373500976.db2.gz RROGZTVCXFHOOW-JTQLQIEISA-N 0 3 292.405 -1.019 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@H](O)CN1CCOCC1 ZINC000405384892 373501625 /nfs/dbraw/zinc/50/16/25/373501625.db2.gz FVTSFOMUCVFOLN-NSHDSACASA-N 0 3 295.405 -1.840 20 0 CAADHN COCCCS(=O)(=O)NCCNC(CO)CO ZINC000580341905 373502469 /nfs/dbraw/zinc/50/24/69/373502469.db2.gz MYIZXRLDROILTG-UHFFFAOYSA-N 0 3 270.351 -2.115 20 0 CAADHN C[C@H](O)CN(C[C@H](O)CN1CCOCC1)[C@@H](C)CO ZINC000190839698 373503086 /nfs/dbraw/zinc/50/30/86/373503086.db2.gz DOWWRUNRXQCCRF-RWMBFGLXSA-N 0 3 276.377 -1.257 20 0 CAADHN COC(=O)CC[C@@H](N)C(=O)N1CCNC(=O)[C@H]1C ZINC000343415876 373506541 /nfs/dbraw/zinc/50/65/41/373506541.db2.gz LUUOLEFAQHSJBC-HTQZYQBOSA-N 0 3 257.290 -1.386 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N(C)CCC(N)=O)CC1=O ZINC000343454862 373506789 /nfs/dbraw/zinc/50/67/89/373506789.db2.gz RRHZTPIZYUBCGX-SNVBAGLBSA-N 0 3 284.360 -1.270 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N(C)CCC(N)=O)CC1=O ZINC000343454854 373507392 /nfs/dbraw/zinc/50/73/92/373507392.db2.gz RRHZTPIZYUBCGX-JTQLQIEISA-N 0 3 284.360 -1.270 20 0 CAADHN CN1CCN(C)[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343620983 373509208 /nfs/dbraw/zinc/50/92/08/373509208.db2.gz JAYLGWMIUIKQGY-UONOGXRCSA-N 0 3 295.431 -1.262 20 0 CAADHN CN1CCN(C)[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343620979 373509622 /nfs/dbraw/zinc/50/96/22/373509622.db2.gz JAYLGWMIUIKQGY-KBPBESRZSA-N 0 3 295.431 -1.262 20 0 CAADHN CO[C@@]1(CNCCNS(=O)(=O)N(C)C)CCOC1 ZINC000639164738 373513104 /nfs/dbraw/zinc/51/31/04/373513104.db2.gz SAAHHYKXXSYPAD-SNVBAGLBSA-N 0 3 281.378 -1.223 20 0 CAADHN CN1CCN(C)[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000343620985 373513733 /nfs/dbraw/zinc/51/37/33/373513733.db2.gz JAYLGWMIUIKQGY-ZIAGYGMSSA-N 0 3 295.431 -1.262 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)CN(C)C)n1 ZINC000343803493 373515731 /nfs/dbraw/zinc/51/57/31/373515731.db2.gz IEDJQUXUUXWFCB-JTQLQIEISA-N 0 3 297.407 -1.276 20 0 CAADHN CNc1nc(NCCOC)nc(NCCOC)n1 ZINC000343836441 373516909 /nfs/dbraw/zinc/51/69/09/373516909.db2.gz IDKITUBTNRNLQT-UHFFFAOYSA-N 0 3 256.310 -1.704 20 0 CAADHN CNc1nc(NCCCO)nc(NCCCO)n1 ZINC000343852890 373517335 /nfs/dbraw/zinc/51/73/35/373517335.db2.gz QZLVBCSGDDSCMZ-UHFFFAOYSA-N 0 3 256.310 -2.232 20 0 CAADHN COC(=O)[C@](C)(O)CN(C)C[C@@H](O)CN1CCOCC1 ZINC000343823189 373517826 /nfs/dbraw/zinc/51/78/26/373517826.db2.gz ULKWTAAKHGHNJG-DGCLKSJQSA-N 0 3 290.360 -1.465 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC(C)(C)C(N)=O)CC1=O ZINC000344037876 373519863 /nfs/dbraw/zinc/51/98/63/373519863.db2.gz FIYVELHYHKNAHX-SECBINFHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNc1nc(NCC[C@H](C)O)nc(NCC[C@H](C)O)n1 ZINC000343887402 373519974 /nfs/dbraw/zinc/51/99/74/373519974.db2.gz VEFOPLWRYGXHFX-IUCAKERBSA-N 0 3 284.364 -1.455 20 0 CAADHN NC(=O)NC(=O)CCN1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000343963641 373520140 /nfs/dbraw/zinc/52/01/40/373520140.db2.gz RJAIHRMRKITEBC-LBPRGKRZSA-N 0 3 296.331 -1.310 20 0 CAADHN C[C@@H]1OCCN[C@H]1C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000344468689 373522454 /nfs/dbraw/zinc/52/24/54/373522454.db2.gz IBBQBXBWQPOXGJ-SDDRHHMPSA-N 0 3 298.387 -1.181 20 0 CAADHN C[C@@H]1OCCN[C@@H]1C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000344468690 373522563 /nfs/dbraw/zinc/52/25/63/373522563.db2.gz IBBQBXBWQPOXGJ-SRVKXCTJSA-N 0 3 298.387 -1.181 20 0 CAADHN CCNC(=O)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000344215894 373522625 /nfs/dbraw/zinc/52/26/25/373522625.db2.gz HQKAHTKUNZZMFR-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN CN(C)CCN1CCN(C(=O)Cn2cccnc2=O)CC1 ZINC000345127549 373526016 /nfs/dbraw/zinc/52/60/16/373526016.db2.gz CQZVVIDEIQMODF-UHFFFAOYSA-N 0 3 293.371 -1.051 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCC(=O)NC2)CC1=O ZINC000345245597 373528250 /nfs/dbraw/zinc/52/82/50/373528250.db2.gz NIXRWPBDUDTDTI-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)NCCN1CCCCC1 ZINC000345214330 373528565 /nfs/dbraw/zinc/52/85/65/373528565.db2.gz IDEDWPFDKCZNAF-VIFPVBQESA-N 0 3 258.322 -1.382 20 0 CAADHN CN1CC=C(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000613266592 373531084 /nfs/dbraw/zinc/53/10/84/373531084.db2.gz SBBRIKCUWKVXST-VIFPVBQESA-N 0 3 266.301 -1.037 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@H](C(N)=O)C2)CC1=O ZINC000345450381 373531220 /nfs/dbraw/zinc/53/12/20/373531220.db2.gz DCLNMGRXHTUBPN-WDEREUQCSA-N 0 3 296.371 -1.270 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](C(N)=O)C2)CC1=O ZINC000345450378 373531593 /nfs/dbraw/zinc/53/15/93/373531593.db2.gz DCLNMGRXHTUBPN-MNOVXSKESA-N 0 3 296.371 -1.270 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC(C)(CO)CO)CC1=O ZINC000346473042 373533141 /nfs/dbraw/zinc/53/31/41/373533141.db2.gz DXCOOQUKVUDRPG-JTQLQIEISA-N 0 3 287.360 -1.744 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000156967290 373483594 /nfs/dbraw/zinc/48/35/94/373483594.db2.gz XZUMEONQDGGOEK-SNVBAGLBSA-N 0 3 271.317 -1.708 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638923071 373483619 /nfs/dbraw/zinc/48/36/19/373483619.db2.gz NTHVLVLFOPLAFF-OCAPTIKFSA-N 0 3 252.274 -1.499 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)NC[C@@H]1COCCN1C ZINC000627411802 373486146 /nfs/dbraw/zinc/48/61/46/373486146.db2.gz UBBDEJVAAWZSGD-RKDXNWHRSA-N 0 3 258.322 -2.103 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@@H](CO)CN1CCCCC1 ZINC000330606487 373489063 /nfs/dbraw/zinc/48/90/63/373489063.db2.gz KLYWUSBDHBFILZ-SNVBAGLBSA-N 0 3 298.343 -1.499 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN1CCC[C@H](C)C1 ZINC000330436702 373489242 /nfs/dbraw/zinc/48/92/42/373489242.db2.gz BCMMNLNAEYYVCB-JTQLQIEISA-N 0 3 292.405 -1.112 20 0 CAADHN CCN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@@H]1CCN(C)C1 ZINC000617551342 373579236 /nfs/dbraw/zinc/57/92/36/373579236.db2.gz PKVKYCUJGVUKTG-FDYHWXHSSA-N 0 3 284.356 -1.048 20 0 CAADHN CCN(CC)CC(=O)NCC(=O)N1CCNCC1 ZINC000584350020 373579769 /nfs/dbraw/zinc/57/97/69/373579769.db2.gz HRNIBHVABUNTPQ-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN CCN(C(=O)CNS(=O)(=O)N(C)C)[C@H]1CCN(C)C1 ZINC000617551428 373580227 /nfs/dbraw/zinc/58/02/27/373580227.db2.gz RJZVUUDBEMJQTM-JTQLQIEISA-N 0 3 292.405 -1.065 20 0 CAADHN CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CCN(C)C1 ZINC000617562106 373582627 /nfs/dbraw/zinc/58/26/27/373582627.db2.gz AWWCWLUCSVJVAJ-SECBINFHSA-N 0 3 280.332 -1.070 20 0 CAADHN Nc1nc(N)nc(NCCN2CCCS2(=O)=O)n1 ZINC000623910084 373582656 /nfs/dbraw/zinc/58/26/56/373582656.db2.gz YMESOZJFRTVRCF-UHFFFAOYSA-N 0 3 273.322 -2.434 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000332737256 373582995 /nfs/dbraw/zinc/58/29/95/373582995.db2.gz WCXFTPHYBNPFQY-KXUCPTDWSA-N 0 3 282.344 -1.281 20 0 CAADHN COCCN(C)CCNC(=O)Cn1nc(C)oc1=O ZINC000639655711 373596860 /nfs/dbraw/zinc/59/68/60/373596860.db2.gz USAQGHNSHNAFTA-UHFFFAOYSA-N 0 3 272.305 -1.161 20 0 CAADHN C[C@@H](CCNC(=O)CN1CC(=O)[N-]C1=O)[NH+](C)C ZINC000617753040 373587858 /nfs/dbraw/zinc/58/78/58/373587858.db2.gz ZQTZRMSAPDSXJE-QMMMGPOBSA-N 0 3 256.306 -1.005 20 0 CAADHN C[C@H](CCNC(=O)CN1CC(=O)[N-]C1=O)[NH+](C)C ZINC000617753039 373588228 /nfs/dbraw/zinc/58/82/28/373588228.db2.gz ZQTZRMSAPDSXJE-MRVPVSSYSA-N 0 3 256.306 -1.005 20 0 CAADHN COC(=O)[C@H]1CNC(=O)CN1C[C@H](O)CN(C)C1CC1 ZINC000352356441 373588427 /nfs/dbraw/zinc/58/84/27/373588427.db2.gz HKZGRQRFKCWTHJ-GHMZBOCLSA-N 0 3 285.344 -1.585 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@H](CO)CN1CCCCC1 ZINC000334121392 373589827 /nfs/dbraw/zinc/58/98/27/373589827.db2.gz LOQDEBAPAZHTKS-JTQLQIEISA-N 0 3 283.332 -1.053 20 0 CAADHN CN(C[C@H](O)CN(C)[C@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352791835 373590208 /nfs/dbraw/zinc/59/02/08/373590208.db2.gz JHGGHQALQPGABA-PPCPHDFISA-N 0 3 290.360 -2.270 20 0 CAADHN COC(=O)CN(C)C(=O)CCN(C)[C@@H]1COC[C@H]1O ZINC000352813528 373590892 /nfs/dbraw/zinc/59/08/92/373590892.db2.gz DGEFYDQHNTWTOB-NXEZZACHSA-N 0 3 274.317 -1.301 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000582230796 373592537 /nfs/dbraw/zinc/59/25/37/373592537.db2.gz DCQYZRFIGPNINQ-OLZOCXBDSA-N 0 3 299.419 -1.009 20 0 CAADHN Cn1cc(CNC[C@H]2COCCN2C)c(=O)n(C)c1=O ZINC000623711156 373593988 /nfs/dbraw/zinc/59/39/88/373593988.db2.gz WFOOCUVJKYZTRN-NSHDSACASA-N 0 3 282.344 -1.496 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCN(C)C2=O)CC1=O ZINC000346685291 373538793 /nfs/dbraw/zinc/53/87/93/373538793.db2.gz QQIIAOMABWDSHT-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(C)C2=O)CC1=O ZINC000346685298 373538984 /nfs/dbraw/zinc/53/89/84/373538984.db2.gz QQIIAOMABWDSHT-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](CO)N1CCCN(CCNS(C)(=O)=O)CC1 ZINC000346671923 373539447 /nfs/dbraw/zinc/53/94/47/373539447.db2.gz HTURJVBDDJYIPU-LLVKDONJSA-N 0 3 279.406 -1.076 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCN(C)C2=O)CC1=O ZINC000346685296 373540655 /nfs/dbraw/zinc/54/06/55/373540655.db2.gz QQIIAOMABWDSHT-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)CCN1C ZINC000348029312 373542300 /nfs/dbraw/zinc/54/23/00/373542300.db2.gz VZDBWBMDGMOLAS-GMTAPVOTSA-N 0 3 296.371 -1.068 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)CCN1C ZINC000348029314 373542854 /nfs/dbraw/zinc/54/28/54/373542854.db2.gz VZDBWBMDGMOLAS-OUAUKWLOSA-N 0 3 296.371 -1.068 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000348137888 373544645 /nfs/dbraw/zinc/54/46/45/373544645.db2.gz GUWGLBMYIFCEBE-NXEZZACHSA-N 0 3 266.363 -1.006 20 0 CAADHN CCOC(=O)[C@@](C)(O)CN1CC[C@@](O)(C(N)=O)C1 ZINC000348211866 373546245 /nfs/dbraw/zinc/54/62/45/373546245.db2.gz QBKSDIUNFFLLBS-QWRGUYRKSA-N 0 3 260.290 -1.777 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000348137889 373546400 /nfs/dbraw/zinc/54/64/00/373546400.db2.gz GUWGLBMYIFCEBE-UWVGGRQHSA-N 0 3 266.363 -1.006 20 0 CAADHN CC(C)(O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000348327017 373547978 /nfs/dbraw/zinc/54/79/78/373547978.db2.gz ZEUKEXRVMDIPDC-WDEREUQCSA-N 0 3 292.401 -1.155 20 0 CAADHN CC(C)(O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000348327016 373548469 /nfs/dbraw/zinc/54/84/69/373548469.db2.gz ZEUKEXRVMDIPDC-QWRGUYRKSA-N 0 3 292.401 -1.155 20 0 CAADHN COC[C@@H](C)OC[C@H](O)CNCCS(=O)(=O)N(C)C ZINC000405407201 373550691 /nfs/dbraw/zinc/55/06/91/373550691.db2.gz UUHLEOGGPURWAP-GHMZBOCLSA-N 0 3 298.405 -1.120 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CN(C)NC2=O)CC1=O ZINC000349696211 373553568 /nfs/dbraw/zinc/55/35/68/373553568.db2.gz QIAFZUJHVIXCCI-VHSXEESVSA-N 0 3 297.359 -2.142 20 0 CAADHN CN(Cc1nnnn1C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000536545099 373554288 /nfs/dbraw/zinc/55/42/88/373554288.db2.gz NWEGTLOSQDOWDU-SNVBAGLBSA-N 0 3 279.348 -1.442 20 0 CAADHN CN(C)CCOCCNC(=O)CN1CCCS1(=O)=O ZINC000349726894 373555468 /nfs/dbraw/zinc/55/54/68/373555468.db2.gz ICBHFNZZBIWUPO-UHFFFAOYSA-N 0 3 293.389 -1.284 20 0 CAADHN C[NH+](C)CCOCCNC(=O)CN1CC(=O)[N-]C1=O ZINC000349746788 373555485 /nfs/dbraw/zinc/55/54/85/373555485.db2.gz QUWLUFGQWUDMQH-UHFFFAOYSA-N 0 3 272.305 -1.767 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)C(=O)N(C)C ZINC000535723238 373558901 /nfs/dbraw/zinc/55/89/01/373558901.db2.gz NPYIPVJABFFLJL-MNOVXSKESA-N 0 3 268.361 -1.031 20 0 CAADHN COCCN1CC[C@H](NC(=O)NCCC(N)=O)C1 ZINC000349938073 373559463 /nfs/dbraw/zinc/55/94/63/373559463.db2.gz UKRQSCVHEGAJTF-VIFPVBQESA-N 0 3 258.322 -1.118 20 0 CAADHN O=C(NC[C@@H]1CN2CCN1CC2)[C@H]1CN2CCN1CCC2 ZINC000536548531 373560567 /nfs/dbraw/zinc/56/05/67/373560567.db2.gz JLCRIIZYVTZYIT-ZIAGYGMSSA-N 0 3 293.415 -1.508 20 0 CAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000367166961 373561296 /nfs/dbraw/zinc/56/12/96/373561296.db2.gz BOGFCQMPJQEJSG-WDEREUQCSA-N 0 3 266.345 -1.147 20 0 CAADHN NC(=O)[C@H]1CCCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000367166958 373562282 /nfs/dbraw/zinc/56/22/82/373562282.db2.gz BOGFCQMPJQEJSG-GHMZBOCLSA-N 0 3 266.345 -1.147 20 0 CAADHN COC[C@](C)(O)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000563897835 373565590 /nfs/dbraw/zinc/56/55/90/373565590.db2.gz YMBMJJXLOKYODL-QWHCGFSZSA-N 0 3 272.345 -1.043 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N(C)[C@@H]2COC[C@H]2O)CC1=O ZINC000329367766 373567711 /nfs/dbraw/zinc/56/77/11/373567711.db2.gz IZRURARVLANWOJ-QJPTWQEYSA-N 0 3 299.371 -1.385 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000520411138 373567776 /nfs/dbraw/zinc/56/77/76/373567776.db2.gz QVDBVFZIAACQGI-QJPTWQEYSA-N 0 3 299.371 -1.074 20 0 CAADHN CN1CCC(C(=O)N2CCN(C(=O)CO)CC2)CC1 ZINC000351463824 373570609 /nfs/dbraw/zinc/57/06/09/373570609.db2.gz UHUVCNFAGOHNPJ-UHFFFAOYSA-N 0 3 269.345 -1.009 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2nc(C)oc2=O)C1 ZINC000639700018 373596048 /nfs/dbraw/zinc/59/60/48/373596048.db2.gz RPKIDVBLJNQOIJ-JTQLQIEISA-N 0 3 284.316 -1.018 20 0 CAADHN CCCNC(=O)NC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000582219513 373571229 /nfs/dbraw/zinc/57/12/29/373571229.db2.gz AANOAZLKFVQKNF-UWVGGRQHSA-N 0 3 272.349 -1.171 20 0 CAADHN COCCOC[C@H](O)CN1CCN(Cc2nnc[nH]2)CC1 ZINC000639720144 373596110 /nfs/dbraw/zinc/59/61/10/373596110.db2.gz CGGBAOZRGAAOLW-GFCCVEGCSA-N 0 3 299.375 -1.054 20 0 CAADHN CCOCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000520612759 373572298 /nfs/dbraw/zinc/57/22/98/373572298.db2.gz SUIODIAZGCZBLX-UWVGGRQHSA-N 0 3 270.333 -1.024 20 0 CAADHN CN(C)C(=O)[C@H]1C[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583640708 373572648 /nfs/dbraw/zinc/57/26/48/373572648.db2.gz SMDRNHIISIVFSZ-VLEAKVRGSA-N 0 3 269.345 -1.156 20 0 CAADHN COCCOCCCCNc1nc(N)nc(N)n1 ZINC000623915731 373596226 /nfs/dbraw/zinc/59/62/26/373596226.db2.gz PTDZWNGSPNHBDN-UHFFFAOYSA-N 0 3 256.310 -1.026 20 0 CAADHN CNC(=O)[C@@H]1CN(C[C@H](O)CN(C)C2CC2)CCO1 ZINC000351611991 373576631 /nfs/dbraw/zinc/57/66/31/373576631.db2.gz UAGSBOPGXLJRPA-NEPJUHHUSA-N 0 3 271.361 -1.112 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN(C)C[C@H]1CO ZINC000639866570 373622221 /nfs/dbraw/zinc/62/22/21/373622221.db2.gz GFFBTBBFTJZXJY-STQMWFEESA-N 0 3 275.393 -1.466 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN(C)C[C@@H]1CO ZINC000639866565 373622904 /nfs/dbraw/zinc/62/29/04/373622904.db2.gz GFFBTBBFTJZXJY-CHWSQXEVSA-N 0 3 275.393 -1.466 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN(C)C[C@H]1CO ZINC000639866569 373623788 /nfs/dbraw/zinc/62/37/88/373623788.db2.gz GFFBTBBFTJZXJY-QWHCGFSZSA-N 0 3 275.393 -1.466 20 0 CAADHN CN(CCNC(=O)N1CCO[C@H](C(N)=O)C1)C1CC1 ZINC000369243497 373623804 /nfs/dbraw/zinc/62/38/04/373623804.db2.gz MYZOTHFVTMBMIO-JTQLQIEISA-N 0 3 270.333 -1.024 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN(C)C[C@@H]1CO ZINC000639866568 373623895 /nfs/dbraw/zinc/62/38/95/373623895.db2.gz GFFBTBBFTJZXJY-OLZOCXBDSA-N 0 3 275.393 -1.466 20 0 CAADHN CNS(=O)(=O)CCCN(CCO)CCOC ZINC000116391463 373623982 /nfs/dbraw/zinc/62/39/82/373623982.db2.gz ZZPBPDNSNQFBCB-UHFFFAOYSA-N 0 3 254.352 -1.134 20 0 CAADHN Cn1ccnc(NC(=O)NCCN2CC[C@@H](O)C2)c1=O ZINC000626479658 373626030 /nfs/dbraw/zinc/62/60/30/373626030.db2.gz NUPLOKGEOAVYID-SECBINFHSA-N 0 3 281.316 -1.032 20 0 CAADHN CN1CCN(C(=O)CCN2CCN(C)C[C@@H]2CO)CC1 ZINC000639871248 373626135 /nfs/dbraw/zinc/62/61/35/373626135.db2.gz JERCADYOCLFQKS-CYBMUJFWSA-N 0 3 284.404 -1.241 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000371198803 373626578 /nfs/dbraw/zinc/62/65/78/373626578.db2.gz PGSZNIMSMMUSSE-GUBZILKMSA-N 0 3 296.327 -1.436 20 0 CAADHN CCS(=O)(=O)NCCNC[C@H](O)CN(C)C1CC1 ZINC000390276067 373629091 /nfs/dbraw/zinc/62/90/91/373629091.db2.gz SIQFHKFNMJCFBE-NSHDSACASA-N 0 3 279.406 -1.030 20 0 CAADHN CCOC[C@@H](O)CNCCNS(=O)(=O)CC ZINC000390289387 373629150 /nfs/dbraw/zinc/62/91/50/373629150.db2.gz WIIKGNGCCLSZBV-VIFPVBQESA-N 0 3 254.352 -1.087 20 0 CAADHN CCS(=O)(=O)NCCNC[C@@H](O)CN(C)C1CC1 ZINC000390276066 373629241 /nfs/dbraw/zinc/62/92/41/373629241.db2.gz SIQFHKFNMJCFBE-LLVKDONJSA-N 0 3 279.406 -1.030 20 0 CAADHN COCCOC[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000582428146 373630574 /nfs/dbraw/zinc/63/05/74/373630574.db2.gz BHAKJRNGOVINJN-SRVKXCTJSA-N 0 3 262.350 -1.383 20 0 CAADHN CCN1C[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1=O ZINC000391597305 373631025 /nfs/dbraw/zinc/63/10/25/373631025.db2.gz DQAFTHRQTUPLAE-SKDRFNHKSA-N 0 3 284.360 -1.177 20 0 CAADHN Nc1nc(N)nc(N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000623937022 373635105 /nfs/dbraw/zinc/63/51/05/373635105.db2.gz RLTLDATWOCSVIM-IUCAKERBSA-N 0 3 279.348 -1.268 20 0 CAADHN CC(C)N(CC(N)=O)CC(O)CN(CC(N)=O)C(C)C ZINC000181771334 373637095 /nfs/dbraw/zinc/63/70/95/373637095.db2.gz IGFBIUSFQNDSNI-UHFFFAOYSA-N 0 3 288.392 -1.261 20 0 CAADHN NC(=O)c1cc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)ccn1 ZINC000583214104 373637296 /nfs/dbraw/zinc/63/72/96/373637296.db2.gz KRPZRSCHBAQGPL-VHSXEESVSA-N 0 3 275.312 -1.071 20 0 CAADHN CC[C@@H](C(=O)NCCNS(C)(=O)=O)N(C)C ZINC000177954029 373637531 /nfs/dbraw/zinc/63/75/31/373637531.db2.gz MMWBLCCIRDSYOO-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000227363129 373637551 /nfs/dbraw/zinc/63/75/51/373637551.db2.gz CWWFSFHYKRQNOH-QMMMGPOBSA-N 0 3 265.335 -1.936 20 0 CAADHN Cn1ccnc1N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623982638 373638030 /nfs/dbraw/zinc/63/80/30/373638030.db2.gz CBBAZMWVQHSDQE-UHFFFAOYSA-N 0 3 275.320 -1.243 20 0 CAADHN NC(=O)c1cc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccn1 ZINC000583214106 373638268 /nfs/dbraw/zinc/63/82/68/373638268.db2.gz KRPZRSCHBAQGPL-ZJUUUORDSA-N 0 3 275.312 -1.071 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCOC1CNC1 ZINC000584411288 373639515 /nfs/dbraw/zinc/63/95/15/373639515.db2.gz VLNZGKMOXQZTFW-JTQLQIEISA-N 0 3 299.327 -1.745 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CN1CCOCC1 ZINC000218225594 373639602 /nfs/dbraw/zinc/63/96/02/373639602.db2.gz JDLLSPUUYSHXQT-NSHDSACASA-N 0 3 259.350 -1.253 20 0 CAADHN CC[C@@H](NCCC(=O)NC(N)=O)C(=O)N1CCOCC1 ZINC000584405336 373640241 /nfs/dbraw/zinc/64/02/41/373640241.db2.gz AEQZRPONIBJJBN-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN CCNC(=O)CN1CCCN(C(=O)[C@H](CN)OC)CC1 ZINC000583813510 373641118 /nfs/dbraw/zinc/64/11/18/373641118.db2.gz WLPQSBVHLLAICO-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN COC[C@@](C)(CO)NC[C@@H](O)CN1CCOCC1 ZINC000639952747 373642456 /nfs/dbraw/zinc/64/24/56/373642456.db2.gz SFKSOVHGDOTPGP-VXGBXAGGSA-N 0 3 262.350 -1.334 20 0 CAADHN C[C@]12CN(CC(=O)N3CCNC3=O)C[C@]1(C)C(=O)NC2=O ZINC000639949113 373642570 /nfs/dbraw/zinc/64/25/70/373642570.db2.gz IARSCGXQOFPTLO-CHWSQXEVSA-N 0 3 294.311 -1.477 20 0 CAADHN C[C@]12CN(CC(=O)N3CCOCC3)C[C@]1(C)C(=O)NC2=O ZINC000639952569 373642810 /nfs/dbraw/zinc/64/28/10/373642810.db2.gz UHAJKSOHQQPXBK-ZIAGYGMSSA-N 0 3 295.339 -1.170 20 0 CAADHN COC[C@@](C)(CO)NCCN1C(=O)CN(C)C1=O ZINC000639958894 373643152 /nfs/dbraw/zinc/64/31/52/373643152.db2.gz XGKOQZPBDFEYAZ-LLVKDONJSA-N 0 3 259.306 -1.133 20 0 CAADHN CN1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)[C@H](CN)C1 ZINC000584468872 373643303 /nfs/dbraw/zinc/64/33/03/373643303.db2.gz WUQJYKJMAXBKPQ-WDEREUQCSA-N 0 3 268.361 -1.044 20 0 CAADHN COC[C@](C)(CO)NCC(=O)N1CCN(C)CC1 ZINC000639955194 373643402 /nfs/dbraw/zinc/64/34/02/373643402.db2.gz KTCYPQZBOZJWKQ-LBPRGKRZSA-N 0 3 259.350 -1.253 20 0 CAADHN C[C@@]12CN(CCNS(C)(=O)=O)C[C@@]1(C)C(=O)NC2=O ZINC000639945335 373643566 /nfs/dbraw/zinc/64/35/66/373643566.db2.gz JXAGFRGMSBKQDR-QWRGUYRKSA-N 0 3 289.357 -1.480 20 0 CAADHN COC[C@@](C)(CO)NC[C@H](O)CN1CCOCC1 ZINC000639952744 373643871 /nfs/dbraw/zinc/64/38/71/373643871.db2.gz SFKSOVHGDOTPGP-NWDGAFQWSA-N 0 3 262.350 -1.334 20 0 CAADHN CCN(C)C(=O)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000219896436 373644860 /nfs/dbraw/zinc/64/48/60/373644860.db2.gz JNXQSJDKZPFTAL-NSHDSACASA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@@H]1CN(C(=O)NCC(=O)N2CCNCC2)[C@H](C)CN1 ZINC000584710112 373650269 /nfs/dbraw/zinc/65/02/69/373650269.db2.gz JRTQFISIPLYLHH-GHMZBOCLSA-N 0 3 283.376 -1.190 20 0 CAADHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCC(=O)N1CCNCC1 ZINC000584710121 373650820 /nfs/dbraw/zinc/65/08/20/373650820.db2.gz JRTQFISIPLYLHH-WDEREUQCSA-N 0 3 283.376 -1.190 20 0 CAADHN CN(C)CCn1ccc(C(=O)N[C@H]2CC(=O)N(C)C2=O)n1 ZINC000584791022 373653697 /nfs/dbraw/zinc/65/36/97/373653697.db2.gz XYAHSPQSGOAKJJ-JTQLQIEISA-N 0 3 293.327 -1.068 20 0 CAADHN CN(C)CCn1ccc(C(=O)N[C@@H]2CC(=O)N(C)C2=O)n1 ZINC000584791024 373653853 /nfs/dbraw/zinc/65/38/53/373653853.db2.gz XYAHSPQSGOAKJJ-SNVBAGLBSA-N 0 3 293.327 -1.068 20 0 CAADHN CO[C@H](CN)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000353019018 373598334 /nfs/dbraw/zinc/59/83/34/373598334.db2.gz ZNQPYDVXYJGDJT-KXUCPTDWSA-N 0 3 293.389 -1.206 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](CN)OC ZINC000353002272 373598398 /nfs/dbraw/zinc/59/83/98/373598398.db2.gz OXJFOPAPHXYKJU-IUCAKERBSA-N 0 3 279.362 -1.500 20 0 CAADHN Cc1nn(CC(=O)N2CCO[C@@H](CN(C)C)C2)c(=O)o1 ZINC000639769930 373600627 /nfs/dbraw/zinc/60/06/27/373600627.db2.gz YDTPGXRDYBOQIZ-JTQLQIEISA-N 0 3 284.316 -1.066 20 0 CAADHN CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](N)CC(N)=O)C1 ZINC000353083044 373600770 /nfs/dbraw/zinc/60/07/70/373600770.db2.gz CYYCIEXIHMCUSV-QWRGUYRKSA-N 0 3 286.376 -1.338 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCO3)CCN2C1=O ZINC000584850716 373655928 /nfs/dbraw/zinc/65/59/28/373655928.db2.gz QKEFHBCZZLGYRC-AEJSXWLSSA-N 0 3 253.302 -1.064 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N(C)C[C@H](O)CO)CC1=O ZINC000353977277 373603855 /nfs/dbraw/zinc/60/38/55/373603855.db2.gz UYEOMWRPOMMTRQ-QWRGUYRKSA-N 0 3 287.360 -1.792 20 0 CAADHN CN(CCN1CCCC1)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000353907447 373604218 /nfs/dbraw/zinc/60/42/18/373604218.db2.gz XTOKEKHQNUUUCU-UHFFFAOYSA-N 0 3 296.327 -1.039 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N(C)C[C@@H](O)CO)CC1=O ZINC000353977278 373604564 /nfs/dbraw/zinc/60/45/64/373604564.db2.gz UYEOMWRPOMMTRQ-WDEREUQCSA-N 0 3 287.360 -1.792 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000354053748 373606719 /nfs/dbraw/zinc/60/67/19/373606719.db2.gz QCCBSXUZHCPMNT-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CCS(=O)(=O)C[C@@H](C)N(C)c1nc(N)nc(N)n1 ZINC000623970578 373607284 /nfs/dbraw/zinc/60/72/84/373607284.db2.gz UPHDACYIJRMFLW-ZCFIWIBFSA-N 0 3 274.350 -1.044 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N[C@@H](C)CN(C)C ZINC000355367918 373609438 /nfs/dbraw/zinc/60/94/38/373609438.db2.gz ABGZNTJYXFRUIN-QMMMGPOBSA-N 0 3 266.367 -1.215 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N[C@H](C)CN(C)C ZINC000355367915 373609838 /nfs/dbraw/zinc/60/98/38/373609838.db2.gz ABGZNTJYXFRUIN-MRVPVSSYSA-N 0 3 266.367 -1.215 20 0 CAADHN CC(=O)NCCNS(=O)(=O)CCCN(C)C ZINC000631654552 373610026 /nfs/dbraw/zinc/61/00/26/373610026.db2.gz CIPPKXNBAVLBOS-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN COCCN1CCC[C@H]1CNc1nc(N)nc(N)n1 ZINC000623934331 373619701 /nfs/dbraw/zinc/61/97/01/373619701.db2.gz NCZUHUQVQKCHON-QMMMGPOBSA-N 0 3 267.337 -1.359 20 0 CAADHN COCCN1CCC[C@@H]1CNc1nc(N)nc(N)n1 ZINC000623934330 373621023 /nfs/dbraw/zinc/62/10/23/373621023.db2.gz NCZUHUQVQKCHON-MRVPVSSYSA-N 0 3 267.337 -1.359 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2C[C@H](O)[C@@H](O)C2)CC1=O ZINC000628524829 373710996 /nfs/dbraw/zinc/71/09/96/373710996.db2.gz KUNLERMJHGLKFP-VWYCJHECSA-N 0 3 285.344 -2.040 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000612871213 373711940 /nfs/dbraw/zinc/71/19/40/373711940.db2.gz LUELXXQGCNGHIA-KCJUWKMLSA-N 0 3 258.322 -1.561 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2C[C@H](O)[C@@H](O)C2)CC1=O ZINC000628524828 373712405 /nfs/dbraw/zinc/71/24/05/373712405.db2.gz KUNLERMJHGLKFP-DCAQKATOSA-N 0 3 285.344 -2.040 20 0 CAADHN CN(C)CCN1CCN(C(=O)CCNC(N)=O)CC1 ZINC000537145540 373714879 /nfs/dbraw/zinc/71/48/79/373714879.db2.gz KAKZBNLOLJDEOK-UHFFFAOYSA-N 0 3 271.365 -1.249 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000612871215 373714919 /nfs/dbraw/zinc/71/49/19/373714919.db2.gz LUELXXQGCNGHIA-LDYMZIIASA-N 0 3 258.322 -1.561 20 0 CAADHN C[C@@H](NC[C@@H](O)CN1CCOCC1)C(=O)N(C)C ZINC000042225664 373660872 /nfs/dbraw/zinc/66/08/72/373660872.db2.gz DJQDFFATRXANQK-GHMZBOCLSA-N 0 3 259.350 -1.254 20 0 CAADHN COC[C@H](CCO)NC[C@H](O)CN1CCOCC1 ZINC000228349845 373660952 /nfs/dbraw/zinc/66/09/52/373660952.db2.gz WOOAIZOXIRHBQG-RYUDHWBXSA-N 0 3 262.350 -1.334 20 0 CAADHN CN1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@@H](CN)C1 ZINC000226293378 373661067 /nfs/dbraw/zinc/66/10/67/373661067.db2.gz JSYRDMCFIZYNLL-UWVGGRQHSA-N 0 3 254.334 -1.386 20 0 CAADHN CN1CCN(C(=O)CCn2cncn2)[C@H](CN)C1 ZINC000122634296 373717047 /nfs/dbraw/zinc/71/70/47/373717047.db2.gz GOLRKGOZBQQSRE-SNVBAGLBSA-N 0 3 252.322 -1.231 20 0 CAADHN COCCS(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000226620275 373661474 /nfs/dbraw/zinc/66/14/74/373661474.db2.gz MQJPNVSSHXCAMZ-VIFPVBQESA-N 0 3 251.352 -1.463 20 0 CAADHN CO[C@H]1CN[C@@H](C(=O)N[C@@H](C)C(=O)N2CCOCC2)C1 ZINC000228387073 373661614 /nfs/dbraw/zinc/66/16/14/373661614.db2.gz YLEXMTBFGLEBCK-HBNTYKKESA-N 0 3 285.344 -1.273 20 0 CAADHN NC(=O)[C@@H](O)CNC[C@H](O)COCc1ccccc1 ZINC000228688901 373663012 /nfs/dbraw/zinc/66/30/12/373663012.db2.gz JHDNXOQZMPIMRX-RYUDHWBXSA-N 0 3 268.313 -1.000 20 0 CAADHN CN(C)C(=O)CCNC[C@@H](O)CN1CCOCC1 ZINC000044992154 373663890 /nfs/dbraw/zinc/66/38/90/373663890.db2.gz WUMSQXBWPILCND-LLVKDONJSA-N 0 3 259.350 -1.253 20 0 CAADHN CCOC(=O)[C@@H](N)C(=O)NCCN(C)CCOC ZINC000224103408 373666194 /nfs/dbraw/zinc/66/61/94/373666194.db2.gz SCRDTMMHCVNMBV-VIFPVBQESA-N 0 3 261.322 -1.429 20 0 CAADHN CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000580413420 373666733 /nfs/dbraw/zinc/66/67/33/373666733.db2.gz VIKYFXJZBYCEKW-UTUOFQBUSA-N 0 3 298.387 -1.229 20 0 CAADHN COC(=O)[C@@H]1COCCN1C(=O)C(C)S(C)(=O)=O ZINC000135521312 373668039 /nfs/dbraw/zinc/66/80/39/373668039.db2.gz AEWOVYKATZGDON-YUMQZZPRSA-N 0 3 279.314 -1.180 20 0 CAADHN CN(C)CCn1ccc(C(=O)N[C@@H]2COC[C@H]2O)n1 ZINC000564100478 373668560 /nfs/dbraw/zinc/66/85/60/373668560.db2.gz UFHHPADDZAUKKF-GHMZBOCLSA-N 0 3 268.317 -1.066 20 0 CAADHN CC(C)CN1CCN(C(=O)C(=O)NCCN)CC1 ZINC000055085552 373668953 /nfs/dbraw/zinc/66/89/53/373668953.db2.gz WVPSVTBCSFGMJY-UHFFFAOYSA-N 0 3 256.350 -1.139 20 0 CAADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000419950664 373673511 /nfs/dbraw/zinc/67/35/11/373673511.db2.gz IRLHCBYQNOEHLI-VIFPVBQESA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000420033617 373674119 /nfs/dbraw/zinc/67/41/19/373674119.db2.gz WCXFTPHYBNPFQY-AEJSXWLSSA-N 0 3 282.344 -1.281 20 0 CAADHN O=C(CNC(=O)N1C[C@H]2CCC[C@@H](C1)N2)N1CCNCC1 ZINC000571777489 373675536 /nfs/dbraw/zinc/67/55/36/373675536.db2.gz OZHOHZQUEGLJBA-TXEJJXNPSA-N 0 3 295.387 -1.046 20 0 CAADHN C[C@@H](Nc1nc(N)nc(N)n1)[C@H](C)N1CCOCC1 ZINC000623942764 373675750 /nfs/dbraw/zinc/67/57/50/373675750.db2.gz SIBTVCUYCVXQRU-SFYZADRCSA-N 0 3 267.337 -1.360 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CNC[C@H](O)CO)C[C@@H](C)O1 ZINC000571869824 373677626 /nfs/dbraw/zinc/67/76/26/373677626.db2.gz UBOGGBLCCQXXLL-KKOKHZNYSA-N 0 3 262.350 -1.601 20 0 CAADHN CO[C@@H](CN)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000571909314 373677840 /nfs/dbraw/zinc/67/78/40/373677840.db2.gz XAQLNKUEYYCZTP-UBHAPETDSA-N 0 3 295.343 -1.218 20 0 CAADHN CC[C@@H](N)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000572032619 373677952 /nfs/dbraw/zinc/67/79/52/373677952.db2.gz UPKWUQBFCKGQHR-SECBINFHSA-N 0 3 278.378 -1.844 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CNC[C@@H](O)CO)C[C@H](C)O1 ZINC000571869827 373677998 /nfs/dbraw/zinc/67/79/98/373677998.db2.gz UBOGGBLCCQXXLL-WRWGMCAJSA-N 0 3 262.350 -1.601 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)C(C)S(C)(=O)=O ZINC000572002511 373678322 /nfs/dbraw/zinc/67/83/22/373678322.db2.gz HKCVKKAOMINTHW-XLPZGREQSA-N 0 3 251.304 -1.051 20 0 CAADHN COCC[C@]1(NCC(=O)N2CCNC(=O)C2)CCOC1 ZINC000571849334 373679047 /nfs/dbraw/zinc/67/90/47/373679047.db2.gz KHAXLFSVYWFXJB-ZDUSSCGKSA-N 0 3 285.344 -1.270 20 0 CAADHN COC[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)C(=O)OC ZINC000611507744 373683927 /nfs/dbraw/zinc/68/39/27/373683927.db2.gz XDXIMMVCFORGJF-GHMZBOCLSA-N 0 3 285.344 -1.320 20 0 CAADHN COCCNCCNC(=O)CCN1CCCS1(=O)=O ZINC000262068802 373684368 /nfs/dbraw/zinc/68/43/68/373684368.db2.gz BVJBWJKWPLCWAF-UHFFFAOYSA-N 0 3 293.389 -1.236 20 0 CAADHN CN(C)CCN(C)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000611826185 373685270 /nfs/dbraw/zinc/68/52/70/373685270.db2.gz MTZKLEYYDWTKCQ-JTQLQIEISA-N 0 3 292.405 -1.078 20 0 CAADHN C[C@@H]1CCN(CCNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000611748844 373685312 /nfs/dbraw/zinc/68/53/12/373685312.db2.gz BXZCQJTUEITMBK-SNVBAGLBSA-N 0 3 292.405 -1.160 20 0 CAADHN CN(C)CCN(C)C(=O)CNS(=O)(=O)N(C)C ZINC000611825930 373685519 /nfs/dbraw/zinc/68/55/19/373685519.db2.gz FOWQJANYUDWDFK-UHFFFAOYSA-N 0 3 266.367 -1.598 20 0 CAADHN C[C@@H]1CCN(C)CCN1C(=O)C(=O)N1CCNCC1 ZINC000423250102 373691379 /nfs/dbraw/zinc/69/13/79/373691379.db2.gz UPRKSRXXPNZLAH-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)C[C@@H](CO)O1 ZINC000423644444 373693690 /nfs/dbraw/zinc/69/36/90/373693690.db2.gz JUVGZRVPNYDFAV-MXWKQRLJSA-N 0 3 285.344 -1.456 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@H]2CN)CC(=O)N1 ZINC000423717985 373693924 /nfs/dbraw/zinc/69/39/24/373693924.db2.gz BLTXKRBLXUFACD-HBNTYKKESA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)C[C@H](CO)O1 ZINC000423644441 373694379 /nfs/dbraw/zinc/69/43/79/373694379.db2.gz JUVGZRVPNYDFAV-GMTAPVOTSA-N 0 3 285.344 -1.456 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424148245 373697372 /nfs/dbraw/zinc/69/73/72/373697372.db2.gz ZQGYTPRZQWVOJT-HRDYMLBCSA-N 0 3 268.317 -1.813 20 0 CAADHN CCN1C[C@H](NC(=O)CNS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000612214121 373698431 /nfs/dbraw/zinc/69/84/31/373698431.db2.gz KOQACHGRKTUSEQ-UWVGGRQHSA-N 0 3 292.405 -1.161 20 0 CAADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000612302937 373700016 /nfs/dbraw/zinc/70/00/16/373700016.db2.gz DGCLRUDUGNGURW-CWTILBNLSA-N 0 3 296.367 -1.002 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000612302939 373701115 /nfs/dbraw/zinc/70/11/15/373701115.db2.gz DGCLRUDUGNGURW-PBGAJXSPSA-N 0 3 296.367 -1.002 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)C1 ZINC000612541106 373704075 /nfs/dbraw/zinc/70/40/75/373704075.db2.gz BWUJIUJQHYCACO-SRVKXCTJSA-N 0 3 299.371 -1.602 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCNC2=O)C1 ZINC000612542475 373704540 /nfs/dbraw/zinc/70/45/40/373704540.db2.gz IVIASEIQXCJDDM-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000612552667 373705045 /nfs/dbraw/zinc/70/50/45/373705045.db2.gz VRJOJSGUPJICOU-SNVBAGLBSA-N 0 3 282.344 -1.455 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000612522734 373705087 /nfs/dbraw/zinc/70/50/87/373705087.db2.gz KZWIZCMKEPDBOF-QWRGUYRKSA-N 0 3 294.355 -1.360 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000612552659 373705222 /nfs/dbraw/zinc/70/52/22/373705222.db2.gz VRJOJSGUPJICOU-JTQLQIEISA-N 0 3 282.344 -1.455 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H](O)CN2CCCCC2)NC1=O ZINC000612657925 373707446 /nfs/dbraw/zinc/70/74/46/373707446.db2.gz DNZBHNGFXTVUEJ-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1CC(=O)N1 ZINC000612659274 373707678 /nfs/dbraw/zinc/70/76/78/373707678.db2.gz NQZSPDPBVNMIRR-VHSXEESVSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000612659186 373707966 /nfs/dbraw/zinc/70/79/66/373707966.db2.gz NBGBEABRHDSYNZ-UWVGGRQHSA-N 0 3 298.343 -1.453 20 0 CAADHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000612659187 373708235 /nfs/dbraw/zinc/70/82/35/373708235.db2.gz NBGBEABRHDSYNZ-ZJUUUORDSA-N 0 3 298.343 -1.453 20 0 CAADHN CNS(=O)(=O)CCCN(C[C@@H](C)O)[C@@H](C)CO ZINC000443342237 373770129 /nfs/dbraw/zinc/77/01/29/373770129.db2.gz DUTYVCUAHZCLFR-VHSXEESVSA-N 0 3 268.379 -1.011 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)[C@H]1CNCCO1 ZINC000444162623 373771928 /nfs/dbraw/zinc/77/19/28/373771928.db2.gz WMBUUABRPKTYCJ-SNVBAGLBSA-N 0 3 270.333 -2.135 20 0 CAADHN O=C([C@H]1C[C@H](F)CN1)N1CCN2C(=O)NC[C@H]2C1 ZINC000446285884 373773185 /nfs/dbraw/zinc/77/31/85/373773185.db2.gz YXFXVGOLKPJZCR-XHNCKOQMSA-N 0 3 256.281 -1.078 20 0 CAADHN O=C([C@H]1C[C@H](F)CN1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000446285883 373773227 /nfs/dbraw/zinc/77/32/27/373773227.db2.gz YXFXVGOLKPJZCR-DJLDLDEBSA-N 0 3 256.281 -1.078 20 0 CAADHN Nc1nc(N)nc(N[C@H]2CCCc3c2cnn3CCO)n1 ZINC000623863086 373721460 /nfs/dbraw/zinc/72/14/60/373721460.db2.gz JFFXHPBPCVQFPH-QMMMGPOBSA-N 0 3 290.331 -1.203 20 0 CAADHN COCCN1C[C@H](C(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000514789997 373721773 /nfs/dbraw/zinc/72/17/73/373721773.db2.gz XJPOMEFSQKFULU-VXGBXAGGSA-N 0 3 298.387 -1.417 20 0 CAADHN CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)NC1CNC1 ZINC000515224412 373722861 /nfs/dbraw/zinc/72/28/61/373722861.db2.gz HEWSYOVXEYTCSO-NSHDSACASA-N 0 3 268.361 -1.127 20 0 CAADHN COCCN(C)C[C@H](O)CN1C(=O)CN(C)C1=O ZINC000385903371 373723498 /nfs/dbraw/zinc/72/34/98/373723498.db2.gz GLBVNGUCMZAQAL-VIFPVBQESA-N 0 3 259.306 -1.181 20 0 CAADHN CN(CCC(=O)NC(N)=O)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428765651 373730282 /nfs/dbraw/zinc/73/02/82/373730282.db2.gz KLCCQFSLCGEJLN-MRVPVSSYSA-N 0 3 292.361 -1.463 20 0 CAADHN CN(CCC(=O)NC(N)=O)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428765652 373730747 /nfs/dbraw/zinc/73/07/47/373730747.db2.gz KLCCQFSLCGEJLN-QMMMGPOBSA-N 0 3 292.361 -1.463 20 0 CAADHN C[C@@H](CN)N(C)C(=O)CN1CCS(=O)(=O)CC1 ZINC000429322319 373734361 /nfs/dbraw/zinc/73/43/61/373734361.db2.gz KCCIHRGKBDMAKH-VIFPVBQESA-N 0 3 263.363 -1.478 20 0 CAADHN CCS(=O)(=O)N(C)CCCNC(=O)COC1CNC1 ZINC000429693966 373737363 /nfs/dbraw/zinc/73/73/63/373737363.db2.gz LHKIVVGUEAYMJZ-UHFFFAOYSA-N 0 3 293.389 -1.237 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000628648017 373739456 /nfs/dbraw/zinc/73/94/56/373739456.db2.gz IJCKFXBWXBQVIZ-SFYZADRCSA-N 0 3 254.290 -1.205 20 0 CAADHN Cn1cnn(CCC(=O)N[C@@H](CO)CN2CCCC2)c1=O ZINC000640320989 373739890 /nfs/dbraw/zinc/73/98/90/373739890.db2.gz DTYMTJNDSMRJDZ-LLVKDONJSA-N 0 3 297.359 -1.455 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000628648005 373740247 /nfs/dbraw/zinc/74/02/47/373740247.db2.gz CWWWBMYPQZQRTN-DDHJBXDOSA-N 0 3 270.329 -1.390 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)C1(n2cnnn2)CC1 ZINC000640318325 373740315 /nfs/dbraw/zinc/74/03/15/373740315.db2.gz KUJKGTOWHKEBFI-SNVBAGLBSA-N 0 3 280.332 -1.265 20 0 CAADHN COCCNCC(=O)N1CCCN(S(C)(=O)=O)CC1 ZINC000429808351 373740384 /nfs/dbraw/zinc/74/03/84/373740384.db2.gz KKWZXUFRFFWLPX-UHFFFAOYSA-N 0 3 293.389 -1.284 20 0 CAADHN CN1C(=O)CN(CC(=O)N[C@@H](CO)CN2CCCC2)C1=O ZINC000640319320 373740649 /nfs/dbraw/zinc/74/06/49/373740649.db2.gz QLUQHEKGUVWHDR-SNVBAGLBSA-N 0 3 298.343 -1.547 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@H](C(N)=O)C2)CC1=O ZINC000628780030 373741269 /nfs/dbraw/zinc/74/12/69/373741269.db2.gz AQWLHFNKFQFERZ-GMTAPVOTSA-N 0 3 296.371 -1.223 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2C[C@H](C(N)=O)C2)CC1=O ZINC000628780029 373741346 /nfs/dbraw/zinc/74/13/46/373741346.db2.gz AQWLHFNKFQFERZ-DCAQKATOSA-N 0 3 296.371 -1.223 20 0 CAADHN Cn1cc(C[C@H](O)C(=O)N[C@H](CO)CN2CCCC2)cn1 ZINC000640322019 373741731 /nfs/dbraw/zinc/74/17/31/373741731.db2.gz NXPIEOPOHPAOAZ-STQMWFEESA-N 0 3 296.371 -1.104 20 0 CAADHN NC(=O)[C@H]1C[C@H](NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000628777380 373741925 /nfs/dbraw/zinc/74/19/25/373741925.db2.gz KDTHRXYSPNQCBZ-GMTAPVOTSA-N 0 3 266.345 -1.244 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628799751 373745499 /nfs/dbraw/zinc/74/54/99/373745499.db2.gz ITULBQNVIANZLN-SECBINFHSA-N 0 3 261.347 -1.159 20 0 CAADHN CC(C(=O)N1CC(NS(C)(=O)=O)C1)S(C)(=O)=O ZINC000628801049 373746616 /nfs/dbraw/zinc/74/66/16/373746616.db2.gz OLXFMZFZKWPUEB-ZCFIWIBFSA-N 0 3 284.359 -1.821 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000628917002 373750141 /nfs/dbraw/zinc/75/01/41/373750141.db2.gz IPGOMKTYWNQWAC-OLZOCXBDSA-N 0 3 282.388 -1.177 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000628917004 373750912 /nfs/dbraw/zinc/75/09/12/373750912.db2.gz IPGOMKTYWNQWAC-STQMWFEESA-N 0 3 282.388 -1.177 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)NCCN1CC[C@@H](O)C1 ZINC000629172613 373757789 /nfs/dbraw/zinc/75/77/89/373757789.db2.gz KUYDGICXTKLNCC-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000629172291 373758794 /nfs/dbraw/zinc/75/87/94/373758794.db2.gz CLZPPKYYAVEWRX-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN CNC(=O)NC[C@@H]1CN(C[C@@H]2CNCCO2)CCO1 ZINC000629554170 373777292 /nfs/dbraw/zinc/77/72/92/373777292.db2.gz BMZQJWNCNKCXAI-WDEREUQCSA-N 0 3 272.349 -1.395 20 0 CAADHN CN(C(=O)[C@H](N)CC(N)=O)[C@H]1CCN(C2CC2)C1 ZINC000438882086 373763406 /nfs/dbraw/zinc/76/34/06/373763406.db2.gz HZPBLUJRACKWIS-VHSXEESVSA-N 0 3 254.334 -1.116 20 0 CAADHN C[C@@H]1CCN(CCNC(=O)CN2CCNCC2=O)C1 ZINC000572486811 373765052 /nfs/dbraw/zinc/76/50/52/373765052.db2.gz KXQCTJQWOYQIJT-LLVKDONJSA-N 0 3 268.361 -1.124 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)NC[C@@H]1CCCN1C ZINC000629454185 373766839 /nfs/dbraw/zinc/76/68/39/373766839.db2.gz YPVKUEVEIOVSAJ-VIFPVBQESA-N 0 3 278.378 -1.407 20 0 CAADHN NC(=O)C[C@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1 ZINC000629395691 373766864 /nfs/dbraw/zinc/76/68/64/373766864.db2.gz PUAWYRJALIMYTO-RYUDHWBXSA-N 0 3 296.371 -1.521 20 0 CAADHN NC(=O)C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCO1 ZINC000629395692 373766931 /nfs/dbraw/zinc/76/69/31/373766931.db2.gz PUAWYRJALIMYTO-VXGBXAGGSA-N 0 3 296.371 -1.521 20 0 CAADHN CN1CCC[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000629452533 373768325 /nfs/dbraw/zinc/76/83/25/373768325.db2.gz TXELZUAVBFOWKY-DTWKUNHWSA-N 0 3 261.347 -1.112 20 0 CAADHN CCCN(C)CC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000629542208 373776667 /nfs/dbraw/zinc/77/66/67/373776667.db2.gz ZXTLJCJWLHQRTQ-UHFFFAOYSA-N 0 3 292.405 -1.065 20 0 CAADHN CNS(=O)(=O)CCCN(C[C@H](C)O)[C@H](C)CO ZINC000443342239 373769226 /nfs/dbraw/zinc/76/92/26/373769226.db2.gz DUTYVCUAHZCLFR-ZJUUUORDSA-N 0 3 268.379 -1.011 20 0 CAADHN CNS(=O)(=O)CCCN(C[C@H](C)O)[C@@H](C)CO ZINC000443342234 373769605 /nfs/dbraw/zinc/76/96/05/373769605.db2.gz DUTYVCUAHZCLFR-UWVGGRQHSA-N 0 3 268.379 -1.011 20 0 CAADHN COC[C@@H](CS(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)OC ZINC000641395408 373803930 /nfs/dbraw/zinc/80/39/30/373803930.db2.gz XSPCUPFVLWWXNL-WDEREUQCSA-N 0 3 298.405 -1.120 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@@H]2C[C@]2(O)C1 ZINC000641577871 373808000 /nfs/dbraw/zinc/80/80/00/373808000.db2.gz HAPSFGBYBUXXAG-GVXVVHGQSA-N 0 3 251.330 -1.031 20 0 CAADHN NC(=O)c1cc(N2CCN3C[C@H](O)C[C@H]3C2)ncn1 ZINC000641655563 373812274 /nfs/dbraw/zinc/81/22/74/373812274.db2.gz PTCVMYAPZBKDOU-DTWKUNHWSA-N 0 3 263.301 -1.169 20 0 CAADHN COCCNCCNC(=O)NC[C@H]1COCCN1C ZINC000627082434 373839451 /nfs/dbraw/zinc/83/94/51/373839451.db2.gz ILYRNHXWZONRFV-NSHDSACASA-N 0 3 274.365 -1.148 20 0 CAADHN OCCN(CCO)C[C@H](O)COC[C@H]1CCCO1 ZINC000641939830 373817342 /nfs/dbraw/zinc/81/73/42/373817342.db2.gz IKVQAPSWWKDVFO-NWDGAFQWSA-N 0 3 263.334 -1.171 20 0 CAADHN O=S(=O)(C[C@@H]1CNCCO1)NCCNC1CC1 ZINC000631903350 373820526 /nfs/dbraw/zinc/82/05/26/373820526.db2.gz GIGCKQRNIMLAJY-JTQLQIEISA-N 0 3 263.363 -1.354 20 0 CAADHN O=C1C[C@H](S(=O)(=O)NC2CNC2)CN1C1CC1 ZINC000631904610 373820578 /nfs/dbraw/zinc/82/05/78/373820578.db2.gz SVMYGIBCSHERBA-VIFPVBQESA-N 0 3 259.331 -1.359 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C[C@H]2CNCCO2)C[C@H](C)N1 ZINC000631904519 373820974 /nfs/dbraw/zinc/82/09/74/373820974.db2.gz PYCUPKHFLSQMRE-OUAUKWLOSA-N 0 3 277.390 -1.013 20 0 CAADHN O=S(=O)(C[C@H]1CNCCO1)NCCNC1CC1 ZINC000631903351 373821426 /nfs/dbraw/zinc/82/14/26/373821426.db2.gz GIGCKQRNIMLAJY-SNVBAGLBSA-N 0 3 263.363 -1.354 20 0 CAADHN CC1(C)CNCCN1S(=O)(=O)C[C@H]1CNCCO1 ZINC000631906400 373821733 /nfs/dbraw/zinc/82/17/33/373821733.db2.gz LOHHWRDOTIENJM-SNVBAGLBSA-N 0 3 277.390 -1.012 20 0 CAADHN CCN1C[C@H](S(=O)(=O)NCCNCCOC)CC1=O ZINC000631934052 373822429 /nfs/dbraw/zinc/82/24/29/373822429.db2.gz ZMZLWFXUKIQBCB-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000227365499 373839771 /nfs/dbraw/zinc/83/97/71/373839771.db2.gz CIIPCCXNDIVLSH-ZJUUUORDSA-N 0 3 293.389 -1.110 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1S(=O)(=O)C[C@H]1CNCCO1 ZINC000631936131 373825871 /nfs/dbraw/zinc/82/58/71/373825871.db2.gz UVACAQYPVAVIEW-HBNTYKKESA-N 0 3 277.390 -1.013 20 0 CAADHN COCCN(C)CCNC(=O)NC[C@@H]1COCCN1 ZINC000626965358 373827801 /nfs/dbraw/zinc/82/78/01/373827801.db2.gz AYZQLLBJYBRJDG-LLVKDONJSA-N 0 3 274.365 -1.148 20 0 CAADHN Nc1nc(N)nc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000623797527 373828013 /nfs/dbraw/zinc/82/80/13/373828013.db2.gz XEQJLUVPDRNVQZ-QMMMGPOBSA-N 0 3 293.331 -1.476 20 0 CAADHN C[C@@H](CN1CCN(C)CC1)NC(=O)NC[C@@H]1COCCN1 ZINC000626972927 373828963 /nfs/dbraw/zinc/82/89/63/373828963.db2.gz RDACCWVTNJHDSP-QWHCGFSZSA-N 0 3 299.419 -1.090 20 0 CAADHN CN(C)CCOCCNC(=O)CNS(=O)(=O)N(C)C ZINC000613284980 373829045 /nfs/dbraw/zinc/82/90/45/373829045.db2.gz LEPFNNKUCZZSMI-UHFFFAOYSA-N 0 3 296.393 -1.923 20 0 CAADHN COCCNCCNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000627083047 373839956 /nfs/dbraw/zinc/83/99/56/373839956.db2.gz PMQWNUAWJFDOKV-KYZUINATSA-N 0 3 258.322 -1.215 20 0 CAADHN NCC(F)(F)CNC(=O)NC[C@@H]1COCCN1 ZINC000627084653 373839979 /nfs/dbraw/zinc/83/99/79/373839979.db2.gz KSHPGGYEQKZQKW-SSDOTTSWSA-N 0 3 252.265 -1.132 20 0 CAADHN CN1CC[C@H]2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)[C@@H]2C1 ZINC000613329567 373830915 /nfs/dbraw/zinc/83/09/15/373830915.db2.gz RUBOCLMJLSUNPM-BTXBGFNFSA-N 0 3 296.367 -1.048 20 0 CAADHN O=C(NCCN1CCCOCC1)NC[C@@H]1COCCN1 ZINC000627044210 373834565 /nfs/dbraw/zinc/83/45/65/373834565.db2.gz CKPBAHGSHQLNRX-GFCCVEGCSA-N 0 3 286.376 -1.004 20 0 CAADHN O=C(NCC(=O)N1CCNCC1)NC[C@H]1COCCN1 ZINC000627064644 373836155 /nfs/dbraw/zinc/83/61/55/373836155.db2.gz VHFOFUBCBOWPSB-JTQLQIEISA-N 0 3 285.348 -2.294 20 0 CAADHN CS(=O)(=O)NC[C@H]1COCCN1C[C@H]1CNCCO1 ZINC000629585718 373779297 /nfs/dbraw/zinc/77/92/97/373779297.db2.gz CYEJEKOACMLPDJ-WDEREUQCSA-N 0 3 293.389 -1.775 20 0 CAADHN CC[C@H](N)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000629607933 373781616 /nfs/dbraw/zinc/78/16/16/373781616.db2.gz SUKOEPBWOAZQJX-MNOVXSKESA-N 0 3 259.350 -1.125 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)CCC(=O)NC ZINC000629795769 373784206 /nfs/dbraw/zinc/78/42/06/373784206.db2.gz MLYODQNJHUUPNF-UHFFFAOYSA-N 0 3 258.322 -1.612 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000629797522 373784349 /nfs/dbraw/zinc/78/43/49/373784349.db2.gz PYTNELVSINTQGY-SECBINFHSA-N 0 3 293.389 -1.315 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000629794081 373784398 /nfs/dbraw/zinc/78/43/98/373784398.db2.gz LRARBGCEURETCD-MRVPVSSYSA-N 0 3 256.306 -1.860 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000629793806 373784677 /nfs/dbraw/zinc/78/46/77/373784677.db2.gz IUHZXLFMJYDRDX-MRVPVSSYSA-N 0 3 272.305 -2.494 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000629805349 373785680 /nfs/dbraw/zinc/78/56/80/373785680.db2.gz YISYOSQMYCFAOS-ZJUUUORDSA-N 0 3 273.333 -1.598 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000629803980 373785731 /nfs/dbraw/zinc/78/57/31/373785731.db2.gz BAIRQVBIAMUNSZ-SNVBAGLBSA-N 0 3 273.333 -1.333 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000629798976 373785786 /nfs/dbraw/zinc/78/57/86/373785786.db2.gz XDCCZSWTOKAMGJ-LLVKDONJSA-N 0 3 284.360 -1.663 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1C[C@H](C)O[C@H](CO)C1 ZINC000629805347 373786031 /nfs/dbraw/zinc/78/60/31/373786031.db2.gz YISYOSQMYCFAOS-UWVGGRQHSA-N 0 3 273.333 -1.598 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000629801001 373786590 /nfs/dbraw/zinc/78/65/90/373786590.db2.gz GEDCRACBTLVBJJ-SNVBAGLBSA-N 0 3 284.360 -1.092 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC[C@](C)(C(=O)NC)C1 ZINC000629801204 373786795 /nfs/dbraw/zinc/78/67/95/373786795.db2.gz INNWRJADIJFAQE-ZDUSSCGKSA-N 0 3 284.360 -1.222 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000629802005 373787086 /nfs/dbraw/zinc/78/70/86/373787086.db2.gz QLZVSRNDJJEQAR-LBPRGKRZSA-N 0 3 270.333 -1.483 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1C[C@H](CO)O[C@@H](C)C1 ZINC000629805348 373787112 /nfs/dbraw/zinc/78/71/12/373787112.db2.gz YISYOSQMYCFAOS-VHSXEESVSA-N 0 3 273.333 -1.598 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC[C@@](C)(C(=O)NC)C1 ZINC000629801203 373787237 /nfs/dbraw/zinc/78/72/37/373787237.db2.gz INNWRJADIJFAQE-CYBMUJFWSA-N 0 3 284.360 -1.222 20 0 CAADHN O=C(NCC(=O)N1CCNCC1)NC[C@@H]1COCCN1 ZINC000627064645 373837579 /nfs/dbraw/zinc/83/75/79/373837579.db2.gz VHFOFUBCBOWPSB-SNVBAGLBSA-N 0 3 285.348 -2.294 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CCO[C@@H](CCF)C1 ZINC000629809748 373788450 /nfs/dbraw/zinc/78/84/50/373788450.db2.gz SXLJDRBYWNTRNH-VIFPVBQESA-N 0 3 261.297 -1.010 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC(=O)N[C@H](C)C1 ZINC000629811374 373788520 /nfs/dbraw/zinc/78/85/20/373788520.db2.gz GHYVSMDVGFUZAU-MRVPVSSYSA-N 0 3 256.306 -1.860 20 0 CAADHN CCOC[C@@H]1CN(C(=O)C(=O)N(C)CCN)CCO1 ZINC000629817610 373788575 /nfs/dbraw/zinc/78/85/75/373788575.db2.gz RKJFXAINCYSEOH-JTQLQIEISA-N 0 3 273.333 -1.333 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)CCOCCOC ZINC000629812212 373788858 /nfs/dbraw/zinc/78/88/58/373788858.db2.gz ONADVZTXBKYNRC-UHFFFAOYSA-N 0 3 275.349 -1.085 20 0 CAADHN O=C(NCCN1CC[C@H](O)C1)[C@H]1CN2CCN1CCC2 ZINC000629915304 373790921 /nfs/dbraw/zinc/79/09/21/373790921.db2.gz RIWVSUOZOTTWGB-QWHCGFSZSA-N 0 3 282.388 -1.441 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)NCCN1CC[C@H](O)C1 ZINC000629914884 373794206 /nfs/dbraw/zinc/79/42/06/373794206.db2.gz KUYDGICXTKLNCC-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN CN(CC(=O)N1CC[C@](O)(C(N)=O)C1)C1CCC1 ZINC000629984947 373795146 /nfs/dbraw/zinc/79/51/46/373795146.db2.gz RDJBIPIVMXSNRH-GFCCVEGCSA-N 0 3 255.318 -1.081 20 0 CAADHN CCN(C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000066949055 373797925 /nfs/dbraw/zinc/79/79/25/373797925.db2.gz YZMDEMUIQLTFCU-UHFFFAOYSA-N 0 3 268.317 -1.385 20 0 CAADHN CCCn1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000640752852 373798202 /nfs/dbraw/zinc/79/82/02/373798202.db2.gz HWGIPDKORZQXDL-UHFFFAOYSA-N 0 3 288.377 -1.072 20 0 CAADHN O=C(CN1CCNCC1)NCCNC(=O)C1CC1 ZINC000160760539 373800259 /nfs/dbraw/zinc/80/02/59/373800259.db2.gz INZUFNZYVIHIFP-UHFFFAOYSA-N 0 3 254.334 -1.466 20 0 CAADHN CN(CCNC(=O)Cn1ccc(=O)n(C)c1=O)C1CC1 ZINC000067865819 373800381 /nfs/dbraw/zinc/80/03/81/373800381.db2.gz ROUDDVRRCVQXQC-UHFFFAOYSA-N 0 3 280.328 -1.243 20 0 CAADHN COC(=O)[C@@](C)(O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000614451685 373878387 /nfs/dbraw/zinc/87/83/87/373878387.db2.gz ZQEADOUPKTWSSL-GWCFXTLKSA-N 0 3 285.344 -1.584 20 0 CAADHN COC(=O)[C@](C)(O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000614451688 373878444 /nfs/dbraw/zinc/87/84/44/373878444.db2.gz ZQEADOUPKTWSSL-ZWNOBZJWSA-N 0 3 285.344 -1.584 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H](CO)CN2CCCCC2)NC1=O ZINC000614659671 373889709 /nfs/dbraw/zinc/88/97/09/373889709.db2.gz CFHSLTNMZHPJBE-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN O=C(N[C@H](CO)CN1CCCCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000614661300 373889904 /nfs/dbraw/zinc/88/99/04/373889904.db2.gz PASBNGPNIUKKBL-UWVGGRQHSA-N 0 3 298.343 -1.453 20 0 CAADHN O=C(NC[C@H]1CNCCO1)c1ccc2nnnn2c1 ZINC000564202183 373890046 /nfs/dbraw/zinc/89/00/46/373890046.db2.gz BCLLHBFXTGBEMB-SECBINFHSA-N 0 3 262.273 -1.158 20 0 CAADHN O=C(NCCNC[C@@H](O)CN1CCOCC1)c1ccn[nH]1 ZINC000564203942 373892523 /nfs/dbraw/zinc/89/25/23/373892523.db2.gz YCLSEGXMGUKEGW-LLVKDONJSA-N 0 3 297.359 -1.578 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000627261758 373892670 /nfs/dbraw/zinc/89/26/70/373892670.db2.gz CLJYJGAWELZDEM-YNEHKIRRSA-N 0 3 283.372 -1.016 20 0 CAADHN CCN1CCN(CC(=O)N[C@H](CO)CN(C)C)CC1 ZINC000614845912 373895664 /nfs/dbraw/zinc/89/56/64/373895664.db2.gz FJLGVDZTRCHXQI-LBPRGKRZSA-N 0 3 272.393 -1.337 20 0 CAADHN CC(C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)CN(C)C ZINC000614846988 373895708 /nfs/dbraw/zinc/89/57/08/373895708.db2.gz IVQIGAHRIDXKKU-ZJUUUORDSA-N 0 3 275.349 -1.842 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cc2n(n1)CCO2 ZINC000614846102 373895765 /nfs/dbraw/zinc/89/57/65/373895765.db2.gz FBZWOWVKAGTAHX-QMMMGPOBSA-N 0 3 254.290 -1.072 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCc2nncn2C1 ZINC000614847361 373895863 /nfs/dbraw/zinc/89/58/63/373895863.db2.gz KRUVGIHRRJDMOO-UWVGGRQHSA-N 0 3 267.333 -1.121 20 0 CAADHN CCC[C@@H](C(=O)N[C@H](CO)CN(C)C)S(N)(=O)=O ZINC000614846624 373895884 /nfs/dbraw/zinc/89/58/84/373895884.db2.gz HDRARCZCINHFCI-IUCAKERBSA-N 0 3 281.378 -1.518 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)c1cnn(C[C@H](O)CO)c1 ZINC000614838378 373896112 /nfs/dbraw/zinc/89/61/12/373896112.db2.gz HNGVCHLUSUKCNG-ONGXEEELSA-N 0 3 270.333 -1.084 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCn1cnccc1=O ZINC000614848107 373896221 /nfs/dbraw/zinc/89/62/21/373896221.db2.gz PRBWICVDFLQLOL-SNVBAGLBSA-N 0 3 268.317 -1.328 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000614847474 373896323 /nfs/dbraw/zinc/89/63/23/373896323.db2.gz LSSGPQBLZVMZBR-SKDRFNHKSA-N 0 3 257.334 -1.059 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](CO)CN(C)C ZINC000614849338 373896402 /nfs/dbraw/zinc/89/64/02/373896402.db2.gz XIKZJZDFXNFVKW-RKDXNWHRSA-N 0 3 281.378 -1.647 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000614845307 373896481 /nfs/dbraw/zinc/89/64/81/373896481.db2.gz BKXJRBBOGPARIH-GWOFURMSSA-N 0 3 274.317 -2.562 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCN=C2C1=NNN2C ZINC000614849204 373896750 /nfs/dbraw/zinc/89/67/50/373896750.db2.gz VZFHYNYWWNBRCE-BDAKNGLRSA-N 0 3 282.348 -1.751 20 0 CAADHN CCC[C@H](C(=O)N[C@@H](CO)CN(C)C)S(N)(=O)=O ZINC000614846626 373896761 /nfs/dbraw/zinc/89/67/61/373896761.db2.gz HDRARCZCINHFCI-RKDXNWHRSA-N 0 3 281.378 -1.518 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1nc2n(n1)CCCN2 ZINC000614845593 373896771 /nfs/dbraw/zinc/89/67/71/373896771.db2.gz CGRGCWAIVIUQKQ-QMMMGPOBSA-N 0 3 268.321 -1.997 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000614839139 373896802 /nfs/dbraw/zinc/89/68/02/373896802.db2.gz ORBWROGDXGYSIC-VHSXEESVSA-N 0 3 292.405 -1.032 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](CO)CN(C)C ZINC000614849332 373896835 /nfs/dbraw/zinc/89/68/35/373896835.db2.gz XIKZJZDFXNFVKW-BDAKNGLRSA-N 0 3 281.378 -1.647 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1C(N)=O ZINC000614845379 373896843 /nfs/dbraw/zinc/89/68/43/373896843.db2.gz CMYAVVBFRGISEL-IUCAKERBSA-N 0 3 258.322 -1.432 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)COCc1ccnn1C ZINC000614846861 373896935 /nfs/dbraw/zinc/89/69/35/373896935.db2.gz IUSUYYWCVHFZIE-SNVBAGLBSA-N 0 3 270.333 -1.025 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCc2nncn2C1 ZINC000614847357 373896943 /nfs/dbraw/zinc/89/69/43/373896943.db2.gz KRUVGIHRRJDMOO-NXEZZACHSA-N 0 3 267.333 -1.121 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H](O)C1CCOCC1 ZINC000614845749 373896953 /nfs/dbraw/zinc/89/69/53/373896953.db2.gz DRUKIFYHCGUKHZ-MNOVXSKESA-N 0 3 260.334 -1.187 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCn1ncn(C)c1=O ZINC000614849686 373896992 /nfs/dbraw/zinc/89/69/92/373896992.db2.gz ZICQXYOYRPPVPB-SECBINFHSA-N 0 3 271.321 -1.989 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCc2nncn2C1 ZINC000614847363 373897038 /nfs/dbraw/zinc/89/70/38/373897038.db2.gz KRUVGIHRRJDMOO-VHSXEESVSA-N 0 3 267.333 -1.121 20 0 CAADHN Cc1cc(C)n(CC(=O)N[C@@H](CO)CN(C)C)c(=O)n1 ZINC000614850709 373897835 /nfs/dbraw/zinc/89/78/35/373897835.db2.gz BPGBPZJGXYFBGI-LLVKDONJSA-N 0 3 282.344 -1.101 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N[C@H](CO)CN(C)C ZINC000614849832 373897899 /nfs/dbraw/zinc/89/78/99/373897899.db2.gz PEHWCUIZPJPFIS-WDEREUQCSA-N 0 3 259.350 -1.254 20 0 CAADHN CC(C)NC(=O)CN(C)CC(=O)N[C@@H](CO)CN(C)C ZINC000614855068 373898023 /nfs/dbraw/zinc/89/80/23/373898023.db2.gz UYVMJNKWKVGLNF-LLVKDONJSA-N 0 3 288.392 -1.519 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H](CO)CN(C)C ZINC000614850056 373898044 /nfs/dbraw/zinc/89/80/44/373898044.db2.gz RAWIWBJTQWOXPE-SECBINFHSA-N 0 3 261.322 -1.870 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000614853975 373898113 /nfs/dbraw/zinc/89/81/13/373898113.db2.gz JYNNHBXYSJNHIU-SSDOTTSWSA-N 0 3 286.288 -2.554 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000614853609 373898233 /nfs/dbraw/zinc/89/82/33/373898233.db2.gz ZVBJTLSROKMHDD-MNOVXSKESA-N 0 3 270.333 -1.638 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN(C)C(=O)C1CC1 ZINC000614853723 373898446 /nfs/dbraw/zinc/89/84/46/373898446.db2.gz HAJYMXPRPJUFNP-JTQLQIEISA-N 0 3 257.334 -1.107 20 0 CAADHN CCCCS(=O)(=O)NCC(=O)N[C@@H](CO)CN(C)C ZINC000614849851 373898461 /nfs/dbraw/zinc/89/84/61/373898461.db2.gz PISZWNDZLVZNEY-SNVBAGLBSA-N 0 3 295.405 -1.255 20 0 CAADHN C[C@@H](C(=O)N[C@H](CO)CN(C)C)N1C(=O)CCC1=O ZINC000614854940 373898530 /nfs/dbraw/zinc/89/85/30/373898530.db2.gz TUBVMXXXHPBRPA-IUCAKERBSA-N 0 3 271.317 -1.437 20 0 CAADHN CCN1C[C@@H](C(=O)N[C@H](CO)CN(C)C)CC1=O ZINC000614854744 373898717 /nfs/dbraw/zinc/89/87/17/373898717.db2.gz RRZHFUQLHYSGSW-UWVGGRQHSA-N 0 3 257.334 -1.107 20 0 CAADHN CCCCS(=O)(=O)NCC(=O)N[C@H](CO)CN(C)C ZINC000614849848 373898798 /nfs/dbraw/zinc/89/87/98/373898798.db2.gz PISZWNDZLVZNEY-JTQLQIEISA-N 0 3 295.405 -1.255 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H](O)Cc1cnn(C)c1 ZINC000614853611 373898927 /nfs/dbraw/zinc/89/89/27/373898927.db2.gz ZVBJTLSROKMHDD-WDEREUQCSA-N 0 3 270.333 -1.638 20 0 CAADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@H](CO)CN(C)C ZINC000614851323 373898998 /nfs/dbraw/zinc/89/89/98/373898998.db2.gz HLTFOIBRDUUIDK-LSJOCFKGSA-N 0 3 287.360 -1.699 20 0 CAADHN CC(C)NC(=O)CN(C)CC(=O)N[C@H](CO)CN(C)C ZINC000614855071 373899024 /nfs/dbraw/zinc/89/90/24/373899024.db2.gz UYVMJNKWKVGLNF-NSHDSACASA-N 0 3 288.392 -1.519 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000614855035 373899103 /nfs/dbraw/zinc/89/91/03/373899103.db2.gz UQWKEYJZKPTOPY-QMMMGPOBSA-N 0 3 254.290 -1.234 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC000614855034 373899171 /nfs/dbraw/zinc/89/91/71/373899171.db2.gz UQWKEYJZKPTOPY-MRVPVSSYSA-N 0 3 254.290 -1.234 20 0 CAADHN CN(CCC[NH+](C)C)C(=O)CN1CC(=O)[N-]C1=O ZINC000539416484 373899218 /nfs/dbraw/zinc/89/92/18/373899218.db2.gz REIOLWZCVRRPPY-UHFFFAOYSA-N 0 3 256.306 -1.052 20 0 CAADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N[C@@H](CO)CN(C)C ZINC000614851317 373899246 /nfs/dbraw/zinc/89/92/46/373899246.db2.gz HLTFOIBRDUUIDK-GDPRMGEGSA-N 0 3 287.360 -1.699 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000614851918 373899327 /nfs/dbraw/zinc/89/93/27/373899327.db2.gz MKFFOMLOCHJVFH-FZMZJTMJSA-N 0 3 297.355 -1.362 20 0 CAADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@H](CO)CN(C)C ZINC000614851321 373899394 /nfs/dbraw/zinc/89/93/94/373899394.db2.gz HLTFOIBRDUUIDK-INTQDDNPSA-N 0 3 287.360 -1.699 20 0 CAADHN Cc1nnc2n1C[C@H](C(=O)N[C@@H](CO)CN(C)C)N(C)C2 ZINC000614859422 373900677 /nfs/dbraw/zinc/90/06/77/373900677.db2.gz ZGVGIGBDJZLUJX-GHMZBOCLSA-N 0 3 296.375 -1.561 20 0 CAADHN CN(C(=O)NC[C@H]1CNCCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000627102894 373841061 /nfs/dbraw/zinc/84/10/61/373841061.db2.gz ABXRMQLYARRCGE-KXUCPTDWSA-N 0 3 270.333 -1.120 20 0 CAADHN C[C@]1(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCNC1=O ZINC000630078290 373841288 /nfs/dbraw/zinc/84/12/88/373841288.db2.gz ZEZXUDRVPGPRKQ-CWSCBRNRSA-N 0 3 267.329 -1.210 20 0 CAADHN CN1CCN(C(=O)NC[C@@H]2COCCN2C)[C@@H](CN)C1 ZINC000627184447 373845072 /nfs/dbraw/zinc/84/50/72/373845072.db2.gz YFWURXHYRCHKAX-NWDGAFQWSA-N 0 3 285.392 -1.399 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)N1CCOC2(CNC2)C1 ZINC000627182928 373845194 /nfs/dbraw/zinc/84/51/94/373845194.db2.gz FVRSDTXVXYDQJS-LLVKDONJSA-N 0 3 284.360 -1.299 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000614858914 373900998 /nfs/dbraw/zinc/90/09/98/373900998.db2.gz MDFCWNXMRKZUOI-NXEZZACHSA-N 0 3 293.389 -1.551 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@@H]2COCCN2)C1 ZINC000627190097 373847445 /nfs/dbraw/zinc/84/74/45/373847445.db2.gz UTDGGUGMDBMLSK-ZYHUDNBSSA-N 0 3 272.349 -1.659 20 0 CAADHN Cn1cc([C@@H](CO)NC(=O)[C@H]2CN3CCN2CCC3)cn1 ZINC000539798242 373901068 /nfs/dbraw/zinc/90/10/68/373901068.db2.gz DICCFZAUNQPASS-CHWSQXEVSA-N 0 3 293.371 -1.040 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC000614857778 373901123 /nfs/dbraw/zinc/90/11/23/373901123.db2.gz JXCYZOXLXJNRQP-ZJUUUORDSA-N 0 3 282.348 -1.336 20 0 CAADHN O=C(NCCN1CC[C@H](O)C1)NC[C@H]1COCCN1 ZINC000627191888 373847738 /nfs/dbraw/zinc/84/77/38/373847738.db2.gz JASREXSLHRZDDO-QWRGUYRKSA-N 0 3 272.349 -1.659 20 0 CAADHN CN1CC[C@](O)(CNC(=O)C2(n3cnnn3)CC2)C1 ZINC000613523535 373849563 /nfs/dbraw/zinc/84/95/63/373849563.db2.gz VRQADXUTEKUUDS-JTQLQIEISA-N 0 3 266.305 -1.655 20 0 CAADHN CCC[C@@H](C(=O)NC[C@@]1(O)CCN(C)C1)S(N)(=O)=O ZINC000613521360 373849685 /nfs/dbraw/zinc/84/96/85/373849685.db2.gz CXAGOAJJZVJAMG-ONGXEEELSA-N 0 3 293.389 -1.374 20 0 CAADHN CCC[C@@H](C(=O)NC[C@]1(O)CCN(C)C1)S(N)(=O)=O ZINC000613521355 373850105 /nfs/dbraw/zinc/85/01/05/373850105.db2.gz CXAGOAJJZVJAMG-GXSJLCMTSA-N 0 3 293.389 -1.374 20 0 CAADHN CN1CC[C@](O)(CNC(=O)[C@H]2CCN=C3C2=NNN3C)C1 ZINC000613523565 373850154 /nfs/dbraw/zinc/85/01/54/373850154.db2.gz WCLPKIJMRTZOKO-ZANVPECISA-N 0 3 294.359 -1.606 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)[C@H]2CCN=C3C2=NNN3C)C1 ZINC000613523564 373850181 /nfs/dbraw/zinc/85/01/81/373850181.db2.gz WCLPKIJMRTZOKO-TVQRCGJNSA-N 0 3 294.359 -1.606 20 0 CAADHN CCOC(=O)[C@](C)(O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000613565799 373851722 /nfs/dbraw/zinc/85/17/22/373851722.db2.gz GCFUTBUKGOLOBN-BXUZGUMPSA-N 0 3 299.371 -1.193 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000613585388 373853599 /nfs/dbraw/zinc/85/35/99/373853599.db2.gz BDSBBQKXYVRRQE-SECBINFHSA-N 0 3 258.322 -1.560 20 0 CAADHN CCN(CCO)CCNC(=O)c1nc2n(n1)CCCN2 ZINC000613581874 373853943 /nfs/dbraw/zinc/85/39/43/373853943.db2.gz GHZVNZUKFJIFQE-UHFFFAOYSA-N 0 3 282.348 -1.605 20 0 CAADHN CCC[C@H](C(=O)NCCN(CC)CCO)S(N)(=O)=O ZINC000613583944 373854083 /nfs/dbraw/zinc/85/40/83/373854083.db2.gz YDSXOKMJVOMCPX-SNVBAGLBSA-N 0 3 295.405 -1.126 20 0 CAADHN CCN(CCO)CCNC(=O)CNS(=O)(=O)N(C)C ZINC000613582811 373854441 /nfs/dbraw/zinc/85/44/41/373854441.db2.gz MXDSHZHUHYRCGM-UHFFFAOYSA-N 0 3 296.393 -2.187 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000614856801 373901451 /nfs/dbraw/zinc/90/14/51/373901451.db2.gz CIDWOTANYCWVPW-YUMQZZPRSA-N 0 3 265.335 -2.283 20 0 CAADHN Cc1nn(CC(=O)N[C@@H](CO)CN(C)C)c(=O)n1C ZINC000614858978 373901470 /nfs/dbraw/zinc/90/14/70/373901470.db2.gz NHEHWVIXLWDISB-SECBINFHSA-N 0 3 271.321 -2.071 20 0 CAADHN Cn1cc([C@@H](CO)NC(=O)[C@@H]2CN3CCN2CCC3)cn1 ZINC000539798246 373901499 /nfs/dbraw/zinc/90/14/99/373901499.db2.gz DICCFZAUNQPASS-OLZOCXBDSA-N 0 3 293.371 -1.040 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCCN1C(=O)CNC1=O ZINC000614857295 373901675 /nfs/dbraw/zinc/90/16/75/373901675.db2.gz APOGKCILUHADNN-VIFPVBQESA-N 0 3 286.332 -1.643 20 0 CAADHN CN(C)C1(CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CCC1 ZINC000613795278 373860277 /nfs/dbraw/zinc/86/02/77/373860277.db2.gz CBZOXOQPSRTTKR-IJLUTSLNSA-N 0 3 284.356 -1.000 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000614858915 373901967 /nfs/dbraw/zinc/90/19/67/373901967.db2.gz MDFCWNXMRKZUOI-UWVGGRQHSA-N 0 3 293.389 -1.551 20 0 CAADHN O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCN2CCC1CC2 ZINC000613860846 373864840 /nfs/dbraw/zinc/86/48/40/373864840.db2.gz IGRGMZUPXUPLCR-JHJVBQTASA-N 0 3 282.340 -1.294 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N1CCN2CCC1CC2 ZINC000613862151 373865230 /nfs/dbraw/zinc/86/52/30/373865230.db2.gz UQMLWWYJMMZOQD-UHFFFAOYSA-N 0 3 290.389 -1.311 20 0 CAADHN CN(C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000614071323 373868401 /nfs/dbraw/zinc/86/84/01/373868401.db2.gz PVSYOCUYGAFLAT-GWCFXTLKSA-N 0 3 284.360 -1.075 20 0 CAADHN CC[C@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)NC ZINC000614340748 373873818 /nfs/dbraw/zinc/87/38/18/373873818.db2.gz DOKKUWDDSVFCMT-JTQLQIEISA-N 0 3 292.405 -1.017 20 0 CAADHN CN(C)CC1(NC(=O)CNS(=O)(=O)N(C)C)CCC1 ZINC000614399491 373875994 /nfs/dbraw/zinc/87/59/94/373875994.db2.gz MDCWRCZUPXXGBQ-UHFFFAOYSA-N 0 3 292.405 -1.017 20 0 CAADHN COC(=O)[C@@](C)(O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000614451687 373877907 /nfs/dbraw/zinc/87/79/07/373877907.db2.gz ZQEADOUPKTWSSL-MFKMUULPSA-N 0 3 285.344 -1.584 20 0 CAADHN CC[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CCO1 ZINC000566091936 373943102 /nfs/dbraw/zinc/94/31/02/373943102.db2.gz VBRXBEPNKFBZSJ-NEPJUHHUSA-N 0 3 298.387 -1.275 20 0 CAADHN C[C@@H]1NCCN(C(=O)NCC(=O)N2CCNCC2)[C@H]1C ZINC000565999851 373943229 /nfs/dbraw/zinc/94/32/29/373943229.db2.gz NFLLTRPJGTUUHC-QWRGUYRKSA-N 0 3 283.376 -1.190 20 0 CAADHN CCO[C@@H]1COC[C@H]1NC[C@H](O)CN1CCN(C)CC1 ZINC000566122610 373943265 /nfs/dbraw/zinc/94/32/65/373943265.db2.gz PJTHUGJBTAUQFQ-BFHYXJOUSA-N 0 3 287.404 -1.012 20 0 CAADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1CCNCC1 ZINC000566204054 373943424 /nfs/dbraw/zinc/94/34/24/373943424.db2.gz DUEKTTXFIGILET-JTQLQIEISA-N 0 3 256.350 -1.092 20 0 CAADHN C[C@@H](NC1CC1)C(=O)NCC(=O)N1CCNCC1 ZINC000566204049 373943436 /nfs/dbraw/zinc/94/34/36/373943436.db2.gz DMDPFLBSSPIZFU-SECBINFHSA-N 0 3 254.334 -1.325 20 0 CAADHN CN(CC(=O)N[C@@H]1CNCCC1(F)F)S(C)(=O)=O ZINC000566068160 373943486 /nfs/dbraw/zinc/94/34/86/373943486.db2.gz WAWLRBCEVADTOZ-SSDOTTSWSA-N 0 3 285.316 -1.009 20 0 CAADHN CN1CCN(C(=O)CNC(=O)c2ccccn2)[C@H](CN)C1 ZINC000566200735 373943854 /nfs/dbraw/zinc/94/38/54/373943854.db2.gz ZLSCHALQFGGHGB-LLVKDONJSA-N 0 3 291.355 -1.087 20 0 CAADHN COCCN(C)C[C@H](O)Cn1nnc(CC(=O)OC)n1 ZINC000567914910 373964194 /nfs/dbraw/zinc/96/41/94/373964194.db2.gz AIMYEYAICJZFBX-VIFPVBQESA-N 0 3 287.320 -1.672 20 0 CAADHN CCC[C@H](O)[C@@H](CO)NC[C@H](O)CN1CCN(C)CC1 ZINC000566230697 373946122 /nfs/dbraw/zinc/94/61/22/373946122.db2.gz BEXAHGNEIUGFJC-MJBXVCDLSA-N 0 3 289.420 -1.294 20 0 CAADHN C[C@@H]1CCN(C(=O)CN2CC(=O)[N-]C2=O)C[C@@H]1C[NH3+] ZINC000566213601 373946377 /nfs/dbraw/zinc/94/63/77/373946377.db2.gz XRAIIVJJXPOCPX-BDAKNGLRSA-N 0 3 268.317 -1.019 20 0 CAADHN O=C(CNC(=O)c1ccccn1)NC[C@@H]1CNCCO1 ZINC000566212564 373946754 /nfs/dbraw/zinc/94/67/54/373946754.db2.gz GHGPMWVSWFBNOR-JTQLQIEISA-N 0 3 278.312 -1.084 20 0 CAADHN COC[C@H](C)S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566496984 373947657 /nfs/dbraw/zinc/94/76/57/373947657.db2.gz WDDCXRWNTRDDQZ-LPEHRKFASA-N 0 3 291.373 -1.405 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(C)[C@H](C)C1 ZINC000566403893 373947688 /nfs/dbraw/zinc/94/76/88/373947688.db2.gz OSBRELPDBZDFHX-BDAKNGLRSA-N 0 3 278.378 -1.361 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000566403901 373947869 /nfs/dbraw/zinc/94/78/69/373947869.db2.gz OSBRELPDBZDFHX-DTWKUNHWSA-N 0 3 278.378 -1.361 20 0 CAADHN COC(=O)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566507685 373948409 /nfs/dbraw/zinc/94/84/09/373948409.db2.gz LGVUCOFPCSYYAV-NXEZZACHSA-N 0 3 298.343 -1.107 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 ZINC000566403903 373948939 /nfs/dbraw/zinc/94/89/39/373948939.db2.gz OSBRELPDBZDFHX-RKDXNWHRSA-N 0 3 278.378 -1.361 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000566614116 373950005 /nfs/dbraw/zinc/95/00/05/373950005.db2.gz MVEZYVRNGMXHSE-NSHDSACASA-N 0 3 283.376 -2.138 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCC(=O)N2CCNCC2)C1 ZINC000566619357 373950369 /nfs/dbraw/zinc/95/03/69/373950369.db2.gz OEFFQEDUIWRCQH-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN N[C@H]1C[C@H]2CN(CCC(=O)N3CCOCC3)CCN2C1=O ZINC000566631088 373950537 /nfs/dbraw/zinc/95/05/37/373950537.db2.gz KGACZXHGFNABRA-RYUDHWBXSA-N 0 3 296.371 -1.521 20 0 CAADHN CN1CCN(C(=O)C[C@@H]2COCCN2)[C@H](CN)C1 ZINC000566854461 373951357 /nfs/dbraw/zinc/95/13/57/373951357.db2.gz PXQRKUYBVHYKSD-GHMZBOCLSA-N 0 3 256.350 -1.534 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCNC[C@H]1C ZINC000567049687 373952933 /nfs/dbraw/zinc/95/29/33/373952933.db2.gz HFUZEWINJOTHPV-KOLCDFICSA-N 0 3 256.350 -1.094 20 0 CAADHN NC[C@@H](NC(=O)C(=O)NCCN1CCCC1=O)C1CC1 ZINC000567173995 373953007 /nfs/dbraw/zinc/95/30/07/373953007.db2.gz YHANEZFFRACQPS-SNVBAGLBSA-N 0 3 282.344 -1.422 20 0 CAADHN NC[C@H](NC(=O)C(=O)NCCN1CCCC1=O)C1CC1 ZINC000567173994 373953079 /nfs/dbraw/zinc/95/30/79/373953079.db2.gz YHANEZFFRACQPS-JTQLQIEISA-N 0 3 282.344 -1.422 20 0 CAADHN CN1CC[C@@H]2CCN(C(=O)CN3CCNCC3=O)[C@H]2C1 ZINC000567046771 373953189 /nfs/dbraw/zinc/95/31/89/373953189.db2.gz UWTKQANNUZBLBZ-NEPJUHHUSA-N 0 3 280.372 -1.029 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000567174034 373953233 /nfs/dbraw/zinc/95/32/33/373953233.db2.gz ZNSMOHLJVKVHHY-QMMMGPOBSA-N 0 3 256.306 -1.907 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@@H]1O ZINC000566982766 373953527 /nfs/dbraw/zinc/95/35/27/373953527.db2.gz MQGKXXIWQFMCFC-UWVGGRQHSA-N 0 3 283.332 -1.895 20 0 CAADHN C[C@H](CNC(=O)C(=O)NCC(=O)N(C)C)N(C)C1CC1 ZINC000153815948 373953692 /nfs/dbraw/zinc/95/36/92/373953692.db2.gz KMECLRFMGNJTBP-SECBINFHSA-N 0 3 284.360 -1.210 20 0 CAADHN CN1CC[C@H]2CCN(C(=O)CN3CCNCC3=O)[C@H]2C1 ZINC000567046773 373954056 /nfs/dbraw/zinc/95/40/56/373954056.db2.gz UWTKQANNUZBLBZ-RYUDHWBXSA-N 0 3 280.372 -1.029 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)NC[C@H](C1CC1)N(C)C ZINC000153663052 373954240 /nfs/dbraw/zinc/95/42/40/373954240.db2.gz AHBALVHNJHJUKG-SNVBAGLBSA-N 0 3 284.360 -1.353 20 0 CAADHN CC1(C(N)=O)CN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000567950059 373965041 /nfs/dbraw/zinc/96/50/41/373965041.db2.gz BZYUCYQQPPPUST-SNVBAGLBSA-N 0 3 266.345 -1.290 20 0 CAADHN CCCNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567292378 373955916 /nfs/dbraw/zinc/95/59/16/373955916.db2.gz ONLLYEPRUBBBEF-ZJUUUORDSA-N 0 3 254.334 -1.244 20 0 CAADHN CN(C)C(=O)CCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000567407979 373956032 /nfs/dbraw/zinc/95/60/32/373956032.db2.gz RGHJUYRAFIZFDM-ZJUUUORDSA-N 0 3 254.334 -1.292 20 0 CAADHN CCCNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567292376 373956055 /nfs/dbraw/zinc/95/60/55/373956055.db2.gz ONLLYEPRUBBBEF-UWVGGRQHSA-N 0 3 254.334 -1.244 20 0 CAADHN CN(C)C(=O)CCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567407976 373956381 /nfs/dbraw/zinc/95/63/81/373956381.db2.gz RGHJUYRAFIZFDM-NXEZZACHSA-N 0 3 254.334 -1.292 20 0 CAADHN CCN1C[C@H](NC[C@H](O)CN2CCN(C)CC2)CC1=O ZINC000567464902 373956604 /nfs/dbraw/zinc/95/66/04/373956604.db2.gz ABMYNDKDPQOTAH-OLZOCXBDSA-N 0 3 284.404 -1.195 20 0 CAADHN CCCNC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567292377 373956628 /nfs/dbraw/zinc/95/66/28/373956628.db2.gz ONLLYEPRUBBBEF-VHSXEESVSA-N 0 3 254.334 -1.244 20 0 CAADHN CC1=CCN(CCNC(=O)C(=O)NC2CNC2)CC1 ZINC000567337432 373956722 /nfs/dbraw/zinc/95/67/22/373956722.db2.gz RPSLTXNXCLZKAY-UHFFFAOYSA-N 0 3 266.345 -1.157 20 0 CAADHN CN[C@@H](C)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000567406762 373957097 /nfs/dbraw/zinc/95/70/97/373957097.db2.gz RGCJGENSOCOYHH-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000567731263 373958446 /nfs/dbraw/zinc/95/84/46/373958446.db2.gz KPMQGMZTTJYIJY-HBNTYKKESA-N 0 3 272.349 -1.316 20 0 CAADHN COCCN1CC[C@@H](NC(=O)NC(C)(CO)CO)C1 ZINC000567476364 373958538 /nfs/dbraw/zinc/95/85/38/373958538.db2.gz IWCLPWCNPZRRKR-SNVBAGLBSA-N 0 3 275.349 -1.250 20 0 CAADHN COCCNCCNC(=O)[C@H](C)N1CCN(C)CC1 ZINC000567736202 373959227 /nfs/dbraw/zinc/95/92/27/373959227.db2.gz QFZTXCJSMUDXKV-LBPRGKRZSA-N 0 3 272.393 -1.026 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NC2CNC2)CCN1CC(C)(C)O ZINC000567573512 373959486 /nfs/dbraw/zinc/95/94/86/373959486.db2.gz JSNADRCNRZRNSB-JTQLQIEISA-N 0 3 298.387 -1.622 20 0 CAADHN COC[C@H](O)CNCCS(=O)(=O)N1CCSCC1 ZINC000567692662 373959537 /nfs/dbraw/zinc/95/95/37/373959537.db2.gz ZUDQBVRIKVJEDH-SNVBAGLBSA-N 0 3 298.430 -1.038 20 0 CAADHN NC(=O)NC(=O)CCNCCNC(=O)c1cccnc1 ZINC000567678462 373959563 /nfs/dbraw/zinc/95/95/63/373959563.db2.gz UGQRCZBPNASICB-UHFFFAOYSA-N 0 3 279.300 -1.014 20 0 CAADHN OC[C@H](CN1CCCC1)NC[C@@H](O)CN1CCOCC1 ZINC000567873468 373960849 /nfs/dbraw/zinc/96/08/49/373960849.db2.gz WPVWRIHHKJZGAY-UONOGXRCSA-N 0 3 287.404 -1.274 20 0 CAADHN C[C@@H](NC1CC1)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000567822262 373961329 /nfs/dbraw/zinc/96/13/29/373961329.db2.gz AXKNIEFLSTXMJP-LLVKDONJSA-N 0 3 298.387 -1.309 20 0 CAADHN COC(=O)[C@H](NC[C@H](O)CN(C)C1CC1)[C@@H](C)O ZINC000567874847 373961665 /nfs/dbraw/zinc/96/16/65/373961665.db2.gz XCOCXOCPZCSPEZ-DVVUODLYSA-N 0 3 260.334 -1.047 20 0 CAADHN COC(=O)[C@H](NC[C@@H](O)CN(C)C1CC1)[C@H](C)O ZINC000567874850 373961809 /nfs/dbraw/zinc/96/18/09/373961809.db2.gz XCOCXOCPZCSPEZ-JMJZKYOTSA-N 0 3 260.334 -1.047 20 0 CAADHN C[C@@H](N)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000567842973 373962146 /nfs/dbraw/zinc/96/21/46/373962146.db2.gz GDWXPNIYJCYGMV-MRVPVSSYSA-N 0 3 276.362 -2.221 20 0 CAADHN CN(C)CCN(CCN(C)C)C(=O)Cn1ncn(C)c1=O ZINC000540976814 373905804 /nfs/dbraw/zinc/90/58/04/373905804.db2.gz RDUJBWAQVXEKSN-UHFFFAOYSA-N 0 3 298.391 -1.466 20 0 CAADHN Cn1cnn(CC(=O)NCCNc2ccncc2)c1=O ZINC000541897282 373907211 /nfs/dbraw/zinc/90/72/11/373907211.db2.gz FMMAPBZMSLQNSZ-UHFFFAOYSA-N 0 3 276.300 -1.373 20 0 CAADHN O=C(NCCN1CC[C@H](O)C1)NCCN1CCOCC1 ZINC000630399420 373911263 /nfs/dbraw/zinc/91/12/63/373911263.db2.gz YOERIZRBVRVZHC-LBPRGKRZSA-N 0 3 286.376 -1.316 20 0 CAADHN OC[C@@H](CN1CCCC1)NC[C@H](O)CN1CCOCC1 ZINC000567873467 373962501 /nfs/dbraw/zinc/96/25/01/373962501.db2.gz WPVWRIHHKJZGAY-KGLIPLIRSA-N 0 3 287.404 -1.274 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@@H]2COCCO2)C1 ZINC000545176821 373914812 /nfs/dbraw/zinc/91/48/12/373914812.db2.gz ONQIDGAXGKMQJS-ZYHUDNBSSA-N 0 3 273.333 -1.232 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCCN2CCOCC2)C1 ZINC000545127232 373915615 /nfs/dbraw/zinc/91/56/15/373915615.db2.gz USNBYINHOIBHJA-ZDUSSCGKSA-N 0 3 286.376 -1.316 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)NC1=O ZINC000627269408 373915827 /nfs/dbraw/zinc/91/58/27/373915827.db2.gz SAYVVZGHIQMAOJ-HBNTYKKESA-N 0 3 282.344 -1.323 20 0 CAADHN O=S(=O)(NCc1cn(C2CC2)nn1)N1CCNCC1 ZINC000630592072 373917690 /nfs/dbraw/zinc/91/76/90/373917690.db2.gz ZYMQXUASZWDTMR-UHFFFAOYSA-N 0 3 286.361 -1.147 20 0 CAADHN C[NH+](C)CC(=O)N1CCN(C(=O)Cc2nnc[n-]2)CC1 ZINC000630720788 373919427 /nfs/dbraw/zinc/91/94/27/373919427.db2.gz YZJRZNJVAFUXDU-UHFFFAOYSA-N 0 3 280.332 -1.420 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCN(CCO)CC1 ZINC000631680299 373919497 /nfs/dbraw/zinc/91/94/97/373919497.db2.gz XZZWXDVVGNKJAF-UHFFFAOYSA-N 0 3 279.406 -1.122 20 0 CAADHN CN(C)[C@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C[C@@H]1O ZINC000615080252 373919575 /nfs/dbraw/zinc/91/95/75/373919575.db2.gz QEBGOOQAJJIUGA-MTVMDMGHSA-N 0 3 286.328 -2.468 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCN=C3C2=NNN3C)C[C@@H]1O ZINC000615079513 373919848 /nfs/dbraw/zinc/91/98/48/373919848.db2.gz ILKCROLUGMZJTA-GUBZILKMSA-N 0 3 294.359 -1.656 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCN=C3C2=NNN3C)C[C@@H]1O ZINC000615079518 373920041 /nfs/dbraw/zinc/92/00/41/373920041.db2.gz ILKCROLUGMZJTA-UTLUCORTSA-N 0 3 294.359 -1.656 20 0 CAADHN CCC[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)S(N)(=O)=O ZINC000615079203 373920375 /nfs/dbraw/zinc/92/03/75/373920375.db2.gz FHWYAGHCEAAWLK-LPEHRKFASA-N 0 3 293.389 -1.423 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001193166563 781964567 /nfs/dbraw/zinc/96/45/67/781964567.db2.gz MZZOLANUTBTYDN-HBNTYKKESA-N 0 3 287.360 -1.293 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2CNCCC2(F)F)c1=O ZINC000574451751 335020728 /nfs/dbraw/zinc/02/07/28/335020728.db2.gz LOPSXCAOGVRQSF-SSDOTTSWSA-N 0 3 275.259 -1.305 20 0 CAADHN CN1C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@H]2C1 ZINC000615186304 373921709 /nfs/dbraw/zinc/92/17/09/373921709.db2.gz YXJJXFZJTTZOFU-VGMNWLOBSA-N 0 3 266.301 -1.253 20 0 CAADHN CN1C[C@H]2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)[C@@H]2C1 ZINC000615184757 373922008 /nfs/dbraw/zinc/92/20/08/373922008.db2.gz UOIUXPMHXWSJJD-JOLIMNQDSA-N 0 3 282.340 -1.438 20 0 CAADHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)CNC(N)=O ZINC000615259309 373924128 /nfs/dbraw/zinc/92/41/28/373924128.db2.gz GTYUHUABZWUOBF-NXEZZACHSA-N 0 3 270.333 -1.024 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC000627275161 373924810 /nfs/dbraw/zinc/92/48/10/373924810.db2.gz DWNNXJXVJQMXKZ-ZETCQYMHSA-N 0 3 254.290 -1.234 20 0 CAADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)CNC(N)=O ZINC000615259313 373924999 /nfs/dbraw/zinc/92/49/99/373924999.db2.gz GTYUHUABZWUOBF-VHSXEESVSA-N 0 3 270.333 -1.024 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001193166609 781964192 /nfs/dbraw/zinc/96/41/92/781964192.db2.gz NPBKQNYPKSEUIT-GMTAPVOTSA-N 0 3 287.360 -1.291 20 0 CAADHN CN(C)c1nc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc(=O)[n-]1 ZINC000572541009 373926467 /nfs/dbraw/zinc/92/64/67/373926467.db2.gz PPTLTBJZSIMWNU-UWVGGRQHSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@@H]1CN([C@@H]2CC(=O)N(CCN(C)C)C2=O)CC(=O)N1 ZINC000556124489 373928976 /nfs/dbraw/zinc/92/89/76/373928976.db2.gz JZEUFNABAYZFIB-NXEZZACHSA-N 0 3 282.344 -1.504 20 0 CAADHN CC(=O)NCCN(C)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000564570092 373929126 /nfs/dbraw/zinc/92/91/26/373929126.db2.gz DSWRTWNUGAJDEL-SNVBAGLBSA-N 0 3 270.333 -1.469 20 0 CAADHN O=C(NC[C@@H]1CCC(=O)N1)[C@H]1CN2CCN1CCC2 ZINC000619140148 373930004 /nfs/dbraw/zinc/93/00/04/373930004.db2.gz RNFMHGNRPAMLSR-WDEREUQCSA-N 0 3 266.345 -1.229 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C[C@@H]1CNCCO1 ZINC000567909872 373963446 /nfs/dbraw/zinc/96/34/46/373963446.db2.gz XZBDNBRCCKQUIO-FOGDFJRCSA-N 0 3 286.328 -1.110 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)Cn1cn[nH]c1=O ZINC000152939396 373931222 /nfs/dbraw/zinc/93/12/22/373931222.db2.gz FZCOTTDVQDOKFU-JTQLQIEISA-N 0 3 283.332 -1.202 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)C1CCC1 ZINC000564905781 373931340 /nfs/dbraw/zinc/93/13/40/373931340.db2.gz RRBLJBPATPLNRJ-PWSUYJOCSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](N)C1CCC1 ZINC000564905774 373931588 /nfs/dbraw/zinc/93/15/88/373931588.db2.gz RRBLJBPATPLNRJ-CMPLNLGQSA-N 0 3 296.371 -1.033 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)Cn1cn[nH]c1=O ZINC000152939265 373931818 /nfs/dbraw/zinc/93/18/18/373931818.db2.gz FZCOTTDVQDOKFU-SNVBAGLBSA-N 0 3 283.332 -1.202 20 0 CAADHN COCCNCCNC(=O)Cn1cc(C(=O)OC)nn1 ZINC000564993177 373933668 /nfs/dbraw/zinc/93/36/68/373933668.db2.gz PKXIUGXTUDCTQZ-UHFFFAOYSA-N 0 3 285.304 -1.583 20 0 CAADHN CCOC(=O)C[C@H](CO)NC[C@@H](O)CN1CCOCC1 ZINC000564977380 373934045 /nfs/dbraw/zinc/93/40/45/373934045.db2.gz FNGWHJIZBGICLK-VXGBXAGGSA-N 0 3 290.360 -1.417 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@@H]1CNCCC1(F)F ZINC000564954800 373934125 /nfs/dbraw/zinc/93/41/25/373934125.db2.gz QCNTZWVMFVQHCR-ZCFIWIBFSA-N 0 3 276.243 -1.348 20 0 CAADHN O=C(CN1CCNC[C@H]1C(F)F)N1CCNC(=O)C1 ZINC000564986465 373934155 /nfs/dbraw/zinc/93/41/55/373934155.db2.gz PKEYTGQUSKZWSL-QMMMGPOBSA-N 0 3 276.287 -1.516 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N2CCN(C)C[C@H]2CN)C1=O ZINC000567892563 373963571 /nfs/dbraw/zinc/96/35/71/373963571.db2.gz OZNZTTDVGPCUCL-MRVPVSSYSA-N 0 3 297.315 -2.492 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)CO1 ZINC000564981100 373934365 /nfs/dbraw/zinc/93/43/65/373934365.db2.gz XFDWTJILHLCIER-BBBLOLIVSA-N 0 3 271.317 -1.615 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001193166559 781964338 /nfs/dbraw/zinc/96/43/38/781964338.db2.gz MZZOLANUTBTYDN-GMTAPVOTSA-N 0 3 287.360 -1.293 20 0 CAADHN COCCN(C)C[C@@H](O)Cn1nnc(CC(=O)OC)n1 ZINC000567914909 373963707 /nfs/dbraw/zinc/96/37/07/373963707.db2.gz AIMYEYAICJZFBX-SECBINFHSA-N 0 3 287.320 -1.672 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CNC(=O)C1)C(=O)NCCN(C)C ZINC000565315701 373936562 /nfs/dbraw/zinc/93/65/62/373936562.db2.gz XTAPNDJUSRYYBT-BDAKNGLRSA-N 0 3 270.333 -1.695 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C[C@@H]1O ZINC000565608427 373938561 /nfs/dbraw/zinc/93/85/61/373938561.db2.gz OFCKGXDFKWRDAW-YUMQZZPRSA-N 0 3 298.299 -2.460 20 0 CAADHN COC(=O)CNC(=O)CCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000565446017 373939457 /nfs/dbraw/zinc/93/94/57/373939457.db2.gz URVJBVVDUGVTEQ-UWVGGRQHSA-N 0 3 274.317 -1.659 20 0 CAADHN COC(=O)CNC(=O)CCN1CC[C@H](CO)[C@@H](O)C1 ZINC000565446019 373939478 /nfs/dbraw/zinc/93/94/78/373939478.db2.gz URVJBVVDUGVTEQ-ZJUUUORDSA-N 0 3 274.317 -1.659 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@H]2CCC(=O)N(C)C2=O)C1 ZINC000565947290 373940774 /nfs/dbraw/zinc/94/07/74/373940774.db2.gz LHOGXVFZESKLOA-ZANVPECISA-N 0 3 298.343 -1.500 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2CCC(=O)N(C)C2=O)C1 ZINC000565947289 373940912 /nfs/dbraw/zinc/94/09/12/373940912.db2.gz LHOGXVFZESKLOA-TVQRCGJNSA-N 0 3 298.343 -1.500 20 0 CAADHN O=C1[C@@H](NC[C@@H](O)Cn2cccn2)CCCN1CCO ZINC000565716248 373941031 /nfs/dbraw/zinc/94/10/31/373941031.db2.gz ARSNCPIQVAFQDS-NEPJUHHUSA-N 0 3 282.344 -1.183 20 0 CAADHN O=C1[C@H](NC[C@@H](O)Cn2cccn2)CCCN1CCO ZINC000565716251 373941048 /nfs/dbraw/zinc/94/10/48/373941048.db2.gz ARSNCPIQVAFQDS-VXGBXAGGSA-N 0 3 282.344 -1.183 20 0 CAADHN COC(=O)[C@@H]1COCCN1C(=O)CCOC1CNC1 ZINC000565769792 373941233 /nfs/dbraw/zinc/94/12/33/373941233.db2.gz QWELKODOELNOEH-JTQLQIEISA-N 0 3 272.301 -1.235 20 0 CAADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](CN)OC)C1 ZINC000565832303 373941378 /nfs/dbraw/zinc/94/13/78/373941378.db2.gz QJNGJUGHMCTQJE-DTWKUNHWSA-N 0 3 279.362 -1.500 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)C1 ZINC000565947287 373941709 /nfs/dbraw/zinc/94/17/09/373941709.db2.gz LHOGXVFZESKLOA-NOZJJQNGSA-N 0 3 298.343 -1.500 20 0 CAADHN CSC[C@H](O)CN[C@@H](CO)CN1CCOCC1 ZINC000565833516 373941758 /nfs/dbraw/zinc/94/17/58/373941758.db2.gz HPNFBTXBGNGDKK-GHMZBOCLSA-N 0 3 264.391 -1.007 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCCN2CCCC2=O)C1 ZINC000565839189 373942166 /nfs/dbraw/zinc/94/21/66/373942166.db2.gz YBYSVIBJTJIMFH-CYBMUJFWSA-N 0 3 284.360 -1.025 20 0 CAADHN CNC(=O)CN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000578886897 373995199 /nfs/dbraw/zinc/99/51/99/373995199.db2.gz ZERZKZSBWVOWOE-UHFFFAOYSA-N 0 3 284.360 -1.745 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)C[C@@H]1CNCCO1 ZINC000579000678 373995489 /nfs/dbraw/zinc/99/54/89/373995489.db2.gz LBIAVRWQSOUGHC-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN C[C@@H]([NH3+])[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000578866730 373995587 /nfs/dbraw/zinc/99/55/87/373995587.db2.gz VDMFRJWHPIOJNJ-HTQZYQBOSA-N 0 3 289.361 -1.450 20 0 CAADHN CN(C)c1nc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc(=O)[n-]1 ZINC000578986263 373995604 /nfs/dbraw/zinc/99/56/04/373995604.db2.gz SEPRYMDFCHUZRQ-SECBINFHSA-N 0 3 294.359 -1.037 20 0 CAADHN CC(=O)NCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000578917710 373995707 /nfs/dbraw/zinc/99/57/07/373995707.db2.gz SZAKAKCGVANKTP-NSHDSACASA-N 0 3 254.334 -1.371 20 0 CAADHN CCN1C[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1=O ZINC000578764513 373995925 /nfs/dbraw/zinc/99/59/25/373995925.db2.gz LITTZCBGGDHQEV-VWYCJHECSA-N 0 3 269.345 -1.012 20 0 CAADHN CN1C[C@H](NC(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000579215911 373997623 /nfs/dbraw/zinc/99/76/23/373997623.db2.gz OKPVMLQHTVWRRD-ZJUUUORDSA-N 0 3 269.349 -1.499 20 0 CAADHN C[C@@H]1C[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000579091986 373997811 /nfs/dbraw/zinc/99/78/11/373997811.db2.gz FKENLTLNMHXLME-OUAUKWLOSA-N 0 3 268.361 -1.140 20 0 CAADHN COCCCS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579004896 373997871 /nfs/dbraw/zinc/99/78/71/373997871.db2.gz ADHBCAQRZFONQM-VHSXEESVSA-N 0 3 291.373 -1.404 20 0 CAADHN C[C@@H]1C[C@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000579091987 373997997 /nfs/dbraw/zinc/99/79/97/373997997.db2.gz FKENLTLNMHXLME-VWYCJHECSA-N 0 3 268.361 -1.140 20 0 CAADHN COCCCS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579004895 373999078 /nfs/dbraw/zinc/99/90/78/373999078.db2.gz ADHBCAQRZFONQM-UWVGGRQHSA-N 0 3 291.373 -1.404 20 0 CAADHN CN1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)[C@@H](CN)C1 ZINC000579354914 374000050 /nfs/dbraw/zinc/00/00/50/374000050.db2.gz ILHAIZVCXMZLEV-QWRGUYRKSA-N 0 3 283.376 -1.122 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CC[C@H](C(N)=O)O2)C[C@@H]1O ZINC000579287718 374001005 /nfs/dbraw/zinc/00/10/05/374001005.db2.gz QJFAFDUFBOWMAF-AXTSPUMRSA-N 0 3 271.317 -1.847 20 0 CAADHN COC(=O)[C@H]1COCCN1C(=O)COC1CNC1 ZINC000579475423 374001469 /nfs/dbraw/zinc/00/14/69/374001469.db2.gz SUJIWYQEOFRQCK-SECBINFHSA-N 0 3 258.274 -1.625 20 0 CAADHN CCN(CC)CC(=O)N1CCN([C@@H]2CC(=O)NC2=O)CC1 ZINC000579609509 374002700 /nfs/dbraw/zinc/00/27/00/374002700.db2.gz ZVOKATMNQDJWFK-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000579689841 374003095 /nfs/dbraw/zinc/00/30/95/374003095.db2.gz HXSCHXBUZZXCND-NZFPMDFQSA-N 0 3 297.355 -1.023 20 0 CAADHN CO[C@H](CN)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000579590478 374003476 /nfs/dbraw/zinc/00/34/76/374003476.db2.gz KJVVXFISFMVJQU-NWDGAFQWSA-N 0 3 298.387 -1.370 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN2C(=O)NC[C@H]2C1 ZINC000579550000 374003603 /nfs/dbraw/zinc/00/36/03/374003603.db2.gz YPTCIVIKANVKAE-NWDGAFQWSA-N 0 3 286.376 -1.365 20 0 CAADHN CO[C@H](CN)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000579590480 374003899 /nfs/dbraw/zinc/00/38/99/374003899.db2.gz KJVVXFISFMVJQU-VXGBXAGGSA-N 0 3 298.387 -1.370 20 0 CAADHN CN1C[C@@H](C(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000579593626 374004263 /nfs/dbraw/zinc/00/42/63/374004263.db2.gz XGACWIJPRNBFMI-VHSXEESVSA-N 0 3 254.334 -1.434 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCSC[C@H]1CCO ZINC000579937199 374008311 /nfs/dbraw/zinc/00/83/11/374008311.db2.gz KQRHOXUQVNXOAA-SECBINFHSA-N 0 3 273.358 -1.599 20 0 CAADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)COC2CNC2)C1 ZINC000580831816 374008325 /nfs/dbraw/zinc/00/83/25/374008325.db2.gz JKNOIJUSYALMPU-SNVBAGLBSA-N 0 3 291.373 -1.485 20 0 CAADHN CN(C)[C@H]1CN(C(=O)C2(CO)CCOCC2)C[C@@H]1O ZINC000580961903 374009615 /nfs/dbraw/zinc/00/96/15/374009615.db2.gz HUANXIWDUXJEBE-QWRGUYRKSA-N 0 3 272.345 -1.091 20 0 CAADHN CN(C)[C@H]1CN(C(=O)C2(C(N)=O)CCC2)C[C@@H]1O ZINC000580903033 374009876 /nfs/dbraw/zinc/00/98/76/374009876.db2.gz QQQUFLYJSMDPLG-IUCAKERBSA-N 0 3 255.318 -1.225 20 0 CAADHN C[C@@H](NC(=O)C1(C(N)=O)CCC1)C(=O)NCCN(C)C ZINC000580962058 374010330 /nfs/dbraw/zinc/01/03/30/374010330.db2.gz LOOASEJPHWCDBZ-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN COCCS(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000087613648 374015936 /nfs/dbraw/zinc/01/59/36/374015936.db2.gz MQJPNVSSHXCAMZ-SECBINFHSA-N 0 3 251.352 -1.463 20 0 CAADHN CC(C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000037808957 374017325 /nfs/dbraw/zinc/01/73/25/374017325.db2.gz YJSMVFIEAUGGFU-SNVBAGLBSA-N 0 3 292.405 -1.080 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H]2CCCN2CCCO)NC1=O ZINC000615480993 374017520 /nfs/dbraw/zinc/01/75/20/374017520.db2.gz WIQIFTUBIHXYIU-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000037808961 374017787 /nfs/dbraw/zinc/01/77/87/374017787.db2.gz GMMDGSCTURPUFI-MRVPVSSYSA-N 0 3 264.351 -1.716 20 0 CAADHN O=C(NC[C@H]1CCCN1CCCO)[C@@H]1CC(=O)N1 ZINC000615480636 374018189 /nfs/dbraw/zinc/01/81/89/374018189.db2.gz QBBHDDKPRQXMAS-ZJUUUORDSA-N 0 3 255.318 -1.162 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CCOCCN2)CC1=O ZINC000615493122 374018998 /nfs/dbraw/zinc/01/89/98/374018998.db2.gz LVVOQQSFPJVVER-NSHDSACASA-N 0 3 284.360 -1.240 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CCOCCN2)CC1=O ZINC000615493118 374019570 /nfs/dbraw/zinc/01/95/70/374019570.db2.gz LVVOQQSFPJVVER-LLVKDONJSA-N 0 3 284.360 -1.240 20 0 CAADHN O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1CC(=O)N1 ZINC000615657548 374020944 /nfs/dbraw/zinc/02/09/44/374020944.db2.gz UGLUISTXJGTFFW-UWVGGRQHSA-N 0 3 255.318 -1.162 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCNC(=O)CC1 ZINC000568163598 373967668 /nfs/dbraw/zinc/96/76/68/373967668.db2.gz FCOHKLCDGPRIIT-LLVKDONJSA-N 0 3 259.350 -1.253 20 0 CAADHN O=C(NC[C@H]1CCCCN1CCO)[C@@H]1CC(=O)N1 ZINC000615657550 374021185 /nfs/dbraw/zinc/02/11/85/374021185.db2.gz UGLUISTXJGTFFW-ZJUUUORDSA-N 0 3 255.318 -1.162 20 0 CAADHN CCOCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568291995 373969076 /nfs/dbraw/zinc/96/90/76/373969076.db2.gz AEFHAVLJJFAAGV-ZJUUUORDSA-N 0 3 298.343 -2.091 20 0 CAADHN CCOCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568291993 373969539 /nfs/dbraw/zinc/96/95/39/373969539.db2.gz AEFHAVLJJFAAGV-UWVGGRQHSA-N 0 3 298.343 -2.091 20 0 CAADHN CN[C@H](CC(C)(C)C)C(=O)NC(C(N)=O)C(N)=O ZINC000568505806 373969703 /nfs/dbraw/zinc/96/97/03/373969703.db2.gz DKCHNJMJLLDQAP-ZCFIWIBFSA-N 0 3 258.322 -1.534 20 0 CAADHN CC1(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)C[NH2+]C1 ZINC000399512748 374021299 /nfs/dbraw/zinc/02/12/99/374021299.db2.gz ZUCTXFVXVLEQCE-GFCCVEGCSA-N 0 3 266.301 -1.204 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)COC)C1 ZINC001193166611 781964884 /nfs/dbraw/zinc/96/48/84/781964884.db2.gz NPBKQNYPKSEUIT-HBNTYKKESA-N 0 3 287.360 -1.291 20 0 CAADHN CC1(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C[NH2+]C1 ZINC000399512751 374021423 /nfs/dbraw/zinc/02/14/23/374021423.db2.gz ZUCTXFVXVLEQCE-LBPRGKRZSA-N 0 3 266.301 -1.204 20 0 CAADHN CCCS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568533499 373972724 /nfs/dbraw/zinc/97/27/24/373972724.db2.gz UGQJBPDJPDCCHQ-DTWKUNHWSA-N 0 3 261.347 -1.030 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)CN3CCOCC3)CCN2C1=O ZINC000569001658 373974315 /nfs/dbraw/zinc/97/43/15/373974315.db2.gz HJWFJPOVGLHIRQ-GHMZBOCLSA-N 0 3 282.344 -1.911 20 0 CAADHN COC(=O)CN1CCC[C@H](CNC(=O)[C@H](CN)OC)C1 ZINC000568982085 373974366 /nfs/dbraw/zinc/97/43/66/373974366.db2.gz FMLUQXPLEKRNPU-MNOVXSKESA-N 0 3 287.360 -1.039 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)CN3CCOCC3)CCN2C1=O ZINC000569001659 373975077 /nfs/dbraw/zinc/97/50/77/373975077.db2.gz HJWFJPOVGLHIRQ-MNOVXSKESA-N 0 3 282.344 -1.911 20 0 CAADHN CCN1CCN(CC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000572845558 373977422 /nfs/dbraw/zinc/97/74/22/373977422.db2.gz YEZDQHRJDLAGQM-LBPRGKRZSA-N 0 3 270.377 -1.272 20 0 CAADHN COC[C@@](C)(O)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000572974385 373977478 /nfs/dbraw/zinc/97/74/78/373977478.db2.gz UDVPCLNVHUGZNC-JOYOIKCWSA-N 0 3 275.349 -1.434 20 0 CAADHN CO[C@H](C)CN(C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000572868829 373977671 /nfs/dbraw/zinc/97/76/71/373977671.db2.gz IXXPGJWAMWYASL-GHMZBOCLSA-N 0 3 286.376 -1.419 20 0 CAADHN O=C(CCOC1CNC1)NCCNC(=O)c1ccn[nH]1 ZINC000572759837 373978154 /nfs/dbraw/zinc/97/81/54/373978154.db2.gz UBWNSBZHILOYES-UHFFFAOYSA-N 0 3 281.316 -1.366 20 0 CAADHN CN1CC(=O)N(CC(=O)N2CCN(C)C[C@@H]2CN)C1=O ZINC000572842589 373978314 /nfs/dbraw/zinc/97/83/14/373978314.db2.gz LQYVNKHGAATORO-VIFPVBQESA-N 0 3 283.332 -2.018 20 0 CAADHN CN(C)CCN(CCN(C)C)C(=O)NCc1nnn(C)n1 ZINC000573183698 373979317 /nfs/dbraw/zinc/97/93/17/373979317.db2.gz JJFSDYGETVOJNL-UHFFFAOYSA-N 0 3 298.395 -1.155 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000573226962 373979953 /nfs/dbraw/zinc/97/99/53/373979953.db2.gz QDJIXEYWKMDDQI-UHFFFAOYSA-N 0 3 294.233 -1.735 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000573309961 373980176 /nfs/dbraw/zinc/98/01/76/373980176.db2.gz MYZXNXIOHZUBQV-WOPDTQHZSA-N 0 3 289.376 -1.500 20 0 CAADHN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H](O)CN1CCOCC1 ZINC000573403870 373982026 /nfs/dbraw/zinc/98/20/26/373982026.db2.gz QHAUQJNMXXZSTE-UTUOFQBUSA-N 0 3 271.361 -1.206 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)C(=O)NC2CNC2)CCN1C ZINC000573701855 373982533 /nfs/dbraw/zinc/98/25/33/373982533.db2.gz KEIGPXDPYBNDPZ-NSHDSACASA-N 0 3 268.361 -1.127 20 0 CAADHN CN1CC[C@H]2CCN(C(=O)C(=O)NC3CNC3)[C@H]2C1 ZINC000573906272 373984196 /nfs/dbraw/zinc/98/41/96/373984196.db2.gz FQUALWDMZHFNAE-ONGXEEELSA-N 0 3 266.345 -1.373 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCN(C)C(=O)C3)C[C@@H]21 ZINC000574094015 373984264 /nfs/dbraw/zinc/98/42/64/373984264.db2.gz XGSLWYPEWRGSAK-MNOVXSKESA-N 0 3 294.355 -1.551 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000574069224 373984388 /nfs/dbraw/zinc/98/43/88/373984388.db2.gz AVGMOLGFOXVGQO-LLVKDONJSA-N 0 3 296.371 -1.160 20 0 CAADHN CN1CC[C@@H]2CCN(C(=O)C(=O)NC3CNC3)[C@H]2C1 ZINC000573906270 373984461 /nfs/dbraw/zinc/98/44/61/373984461.db2.gz FQUALWDMZHFNAE-KOLCDFICSA-N 0 3 266.345 -1.373 20 0 CAADHN CCN(CCNC(=O)C(=O)N1CCN(C)C(=O)C1)C1CC1 ZINC000573931252 373984808 /nfs/dbraw/zinc/98/48/08/373984808.db2.gz PHOJHBAKOLCXJH-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)[C@H]1COC[C@H]1O ZINC000573742841 373984867 /nfs/dbraw/zinc/98/48/67/373984867.db2.gz KRRQMEDMIFPSKE-SDDRHHMPSA-N 0 3 260.334 -1.629 20 0 CAADHN CN1C[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1=O ZINC000577887661 373986322 /nfs/dbraw/zinc/98/63/22/373986322.db2.gz ZJAVIAYFOGSQRH-KXUCPTDWSA-N 0 3 280.328 -1.765 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)N3CCOCC3)CCN2C1=O ZINC000577866876 373986704 /nfs/dbraw/zinc/98/67/04/373986704.db2.gz IBYVVZNTJBMPBU-NXEZZACHSA-N 0 3 268.317 -1.318 20 0 CAADHN CN1C[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1=O ZINC000577887660 373987084 /nfs/dbraw/zinc/98/70/84/373987084.db2.gz ZJAVIAYFOGSQRH-BBBLOLIVSA-N 0 3 280.328 -1.765 20 0 CAADHN CC(C)(C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000577867956 373987154 /nfs/dbraw/zinc/98/71/54/373987154.db2.gz JZVOKFYLDFGUAF-ZJUUUORDSA-N 0 3 296.371 -1.081 20 0 CAADHN N[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(F)(F)F ZINC000577963734 373988114 /nfs/dbraw/zinc/98/81/14/373988114.db2.gz MHVHBLMTBAUTJX-FSDSQADBSA-N 0 3 280.250 -1.354 20 0 CAADHN NC(C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(F)(F)F ZINC000577963734 373988125 /nfs/dbraw/zinc/98/81/25/373988125.db2.gz MHVHBLMTBAUTJX-FSDSQADBSA-N 0 3 280.250 -1.354 20 0 CAADHN C[N@H+](C[C@H](O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)C1CC1 ZINC000577988388 373988861 /nfs/dbraw/zinc/98/88/61/373988861.db2.gz OFAQQXYHNSFGTD-QWRGUYRKSA-N 0 3 282.344 -1.323 20 0 CAADHN C[N@@H+](C[C@H](O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)C1CC1 ZINC000577988388 373988866 /nfs/dbraw/zinc/98/88/66/373988866.db2.gz OFAQQXYHNSFGTD-QWRGUYRKSA-N 0 3 282.344 -1.323 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCCN(C(C)C)CC1 ZINC000578021994 373989456 /nfs/dbraw/zinc/98/94/56/373989456.db2.gz URKQDXZYRFHVJX-UHFFFAOYSA-N 0 3 292.405 -1.017 20 0 CAADHN O=C(CN1CN=NC1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000578068455 373990302 /nfs/dbraw/zinc/99/03/02/373990302.db2.gz BVZRIGUHHOHLJZ-UHFFFAOYSA-N 0 3 293.291 -1.850 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@H]2CNCCO2)C1 ZINC000578236295 373991174 /nfs/dbraw/zinc/99/11/74/373991174.db2.gz IHSLJSIFFJUFQD-MNOVXSKESA-N 0 3 257.334 -1.188 20 0 CAADHN C[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)O1 ZINC000578336226 373991239 /nfs/dbraw/zinc/99/12/39/373991239.db2.gz VZUXENUKOYNTNX-WOPDTQHZSA-N 0 3 298.387 -1.229 20 0 CAADHN N[C@@H]1C[C@@H]2CN(Cc3nnnn3C3CC3)CCN2C1=O ZINC000578523929 373993231 /nfs/dbraw/zinc/99/32/31/373993231.db2.gz VTWZQRRFEQMDAP-NXEZZACHSA-N 0 3 277.332 -1.248 20 0 CAADHN CN(C)CCn1ccc(C(=O)N2CC(=O)N(C)C(=O)C2)n1 ZINC000578521344 373993558 /nfs/dbraw/zinc/99/35/58/373993558.db2.gz SAVCHIBXRPFBGC-UHFFFAOYSA-N 0 3 293.327 -1.115 20 0 CAADHN COCCS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578379541 373993587 /nfs/dbraw/zinc/99/35/87/373993587.db2.gz BWISPOFNSVUHEF-IUCAKERBSA-N 0 3 277.346 -1.794 20 0 CAADHN [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CN1CC(=O)[N-]C1=O)C2 ZINC000621690390 374077587 /nfs/dbraw/zinc/07/75/87/374077587.db2.gz UDFFIQXKOOUNHF-PRHODGIISA-N 0 3 266.301 -1.122 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)NC2CNC2)C[C@H]1CO ZINC000621846873 374078696 /nfs/dbraw/zinc/07/86/96/374078696.db2.gz MZGZVDILCPNGNV-IUCAKERBSA-N 0 3 255.318 -1.449 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)NC2CNC2)C[C@@H]1CO ZINC000621846874 374078829 /nfs/dbraw/zinc/07/88/29/374078829.db2.gz MZGZVDILCPNGNV-RKDXNWHRSA-N 0 3 255.318 -1.449 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C[C@H]1CO ZINC000621847758 374079513 /nfs/dbraw/zinc/07/95/13/374079513.db2.gz KAQTUBATWMNNLM-WOPDTQHZSA-N 0 3 299.371 -1.432 20 0 CAADHN CC(=O)N1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000621851996 374079576 /nfs/dbraw/zinc/07/95/76/374079576.db2.gz KIYZRPMBSKWUEU-VXGBXAGGSA-N 0 3 283.376 -1.109 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@H](C)[C@H](CO)C1 ZINC000621846597 374079612 /nfs/dbraw/zinc/07/96/12/374079612.db2.gz GBTILGRZZMZCNW-AEJSXWLSSA-N 0 3 257.334 -1.073 20 0 CAADHN CNC(=O)CN1CCN(C(=O)CNCCOC)CC1 ZINC000105852428 374030842 /nfs/dbraw/zinc/03/08/42/374030842.db2.gz GEOTYSFTAUCJIX-UHFFFAOYSA-N 0 3 272.349 -1.887 20 0 CAADHN CN(C)C1(CNC(=O)C(=O)NC[C@@H]2COCCN2)CCC1 ZINC000627342129 374080536 /nfs/dbraw/zinc/08/05/36/374080536.db2.gz WZLSJCRNSIQVRS-LLVKDONJSA-N 0 3 298.387 -1.309 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN(C)C1CC1 ZINC000063116595 374036258 /nfs/dbraw/zinc/03/62/58/374036258.db2.gz RACLRDSQNOFFFY-UHFFFAOYSA-N 0 3 270.333 -1.551 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N(C)CC(=O)N(C)C)CC1=O ZINC000072817590 374039489 /nfs/dbraw/zinc/03/94/89/374039489.db2.gz RWZPMMJSMBSAEH-LLVKDONJSA-N 0 3 298.387 -1.057 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N(C)CC(=O)N(C)C)CC1=O ZINC000072817592 374039557 /nfs/dbraw/zinc/03/95/57/374039557.db2.gz RWZPMMJSMBSAEH-NSHDSACASA-N 0 3 298.387 -1.057 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC ZINC000627343317 374081041 /nfs/dbraw/zinc/08/10/41/374081041.db2.gz DHUGCYGEATVVJH-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCCn1ccnn1 ZINC000627342251 374081426 /nfs/dbraw/zinc/08/14/26/374081426.db2.gz ZWXBOWOSSVUSIF-UHFFFAOYSA-N 0 3 268.321 -1.408 20 0 CAADHN CN1C(=O)CC[C@@H](NC[C@H](O)Cn2cccn2)C1=O ZINC000090030504 374043616 /nfs/dbraw/zinc/04/36/16/374043616.db2.gz GFKGMQKDGJUYJI-VHSXEESVSA-N 0 3 266.301 -1.019 20 0 CAADHN NS(=O)(=O)c1cccc(S(=O)(=O)NC2CNC2)c1 ZINC000090289323 374044274 /nfs/dbraw/zinc/04/42/74/374044274.db2.gz LUUOYIKIBRXAMY-UHFFFAOYSA-N 0 3 291.354 -1.416 20 0 CAADHN CNC(=O)CN1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000091300628 374046325 /nfs/dbraw/zinc/04/63/25/374046325.db2.gz KKDYPFKZOKVHLA-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)NC ZINC000627343316 374081761 /nfs/dbraw/zinc/08/17/61/374081761.db2.gz DHUGCYGEATVVJH-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H]1CC(=O)N1 ZINC000618299842 374049765 /nfs/dbraw/zinc/04/97/65/374049765.db2.gz CEDPGGQESDJULO-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CCC(=O)NC1 ZINC000618305487 374050069 /nfs/dbraw/zinc/05/00/69/374050069.db2.gz WDNCKARHRNHTPK-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)C1(NC(N)=O)CC1 ZINC000618306939 374050866 /nfs/dbraw/zinc/05/08/66/374050866.db2.gz OZRSVGFNRMFSEK-UHFFFAOYSA-N 0 3 299.375 -1.334 20 0 CAADHN CN1CCC[C@@H](NC(=O)NCCS(N)(=O)=O)C1 ZINC000618555741 374050997 /nfs/dbraw/zinc/05/09/97/374050997.db2.gz FOQQDESZMJCBDI-MRVPVSSYSA-N 0 3 264.351 -1.332 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618302099 374051118 /nfs/dbraw/zinc/05/11/18/374051118.db2.gz DTAQSKMOTSGCOD-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H]1CCC[C@H]1C(=O)NC ZINC000627343318 374081870 /nfs/dbraw/zinc/08/18/70/374081870.db2.gz DHUGCYGEATVVJH-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C)CC(=O)NCCOCCN(C)C(=O)CN(C)C ZINC000619325702 374054195 /nfs/dbraw/zinc/05/41/95/374054195.db2.gz XQMPNSFLCJKZLR-UHFFFAOYSA-N 0 3 288.392 -1.299 20 0 CAADHN CCCNC(=O)NC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405404606 374055840 /nfs/dbraw/zinc/05/58/40/374055840.db2.gz RHJMFEWPRRLTBE-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405388430 374056186 /nfs/dbraw/zinc/05/61/86/374056186.db2.gz LRHTXTONEHCIPR-GARJFASQSA-N 0 3 284.360 -1.029 20 0 CAADHN C[C@H](C(=O)NC(N)=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405384361 374056384 /nfs/dbraw/zinc/05/63/84/374056384.db2.gz DPFARXRGVBRNBF-HRDYMLBCSA-N 0 3 256.306 -1.679 20 0 CAADHN CCCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000619903986 374059505 /nfs/dbraw/zinc/05/95/05/374059505.db2.gz GAQDHGVXTDBWPN-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN CCCN1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000619904088 374059734 /nfs/dbraw/zinc/05/97/34/374059734.db2.gz JRLXTKJOCFTQRO-SNVBAGLBSA-N 0 3 292.405 -1.017 20 0 CAADHN CCCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000619898747 374060153 /nfs/dbraw/zinc/06/01/53/374060153.db2.gz HSTLAHSRURFBFM-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN CCCN1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC000619903669 374060437 /nfs/dbraw/zinc/06/04/37/374060437.db2.gz GAANAGVUUPGODY-SECBINFHSA-N 0 3 278.378 -1.359 20 0 CAADHN CC(C)[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CCN1 ZINC000621160980 374065707 /nfs/dbraw/zinc/06/57/07/374065707.db2.gz QPEHJEXUWYTHJE-SECBINFHSA-N 0 3 280.332 -1.167 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)CCN1 ZINC000621160981 374066986 /nfs/dbraw/zinc/06/69/86/374066986.db2.gz QPEHJEXUWYTHJE-VIFPVBQESA-N 0 3 280.332 -1.167 20 0 CAADHN CCCN(C)CC(=O)NCCOCCS(N)(=O)=O ZINC000622050285 374082779 /nfs/dbraw/zinc/08/27/79/374082779.db2.gz HVUGXMHTZUMSKQ-UHFFFAOYSA-N 0 3 281.378 -1.251 20 0 CAADHN CNS(=O)(=O)CCN[C@@](C)(CCO)COC ZINC000621262010 374069149 /nfs/dbraw/zinc/06/91/49/374069149.db2.gz LNINBMJGTLGVPL-VIFPVBQESA-N 0 3 254.352 -1.087 20 0 CAADHN CN(CCNC(=O)C(=O)NC[C@H]1COCCN1)C1CC1 ZINC000627319544 374072092 /nfs/dbraw/zinc/07/20/92/374072092.db2.gz XGOJBGLBNVIXBI-JTQLQIEISA-N 0 3 284.360 -1.699 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000627319823 374074000 /nfs/dbraw/zinc/07/40/00/374074000.db2.gz HYZYOZZWYFYGRQ-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H](C)CN1CCCC1=O ZINC000627320221 374074341 /nfs/dbraw/zinc/07/43/41/374074341.db2.gz WBKLMBDKHZXCIZ-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN Cc1c(S(=O)(=O)N2CCN(C)C[C@H]2CN)cnn1C ZINC000311514467 374074706 /nfs/dbraw/zinc/07/47/06/374074706.db2.gz ZZNHGUGTPFFFDZ-SNVBAGLBSA-N 0 3 287.389 -1.008 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCOCCOC ZINC000627325658 374074780 /nfs/dbraw/zinc/07/47/80/374074780.db2.gz QMVAAFYSBMXXAT-UHFFFAOYSA-N 0 3 261.322 -1.427 20 0 CAADHN Cc1c(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cnn1C ZINC000311514466 374075018 /nfs/dbraw/zinc/07/50/18/374075018.db2.gz ZZNHGUGTPFFFDZ-JTQLQIEISA-N 0 3 287.389 -1.008 20 0 CAADHN [NH3+][C@]12CCC[C@@H]1CN(C(=O)CN1CC(=O)[N-]C1=O)C2 ZINC000621690389 374076323 /nfs/dbraw/zinc/07/63/23/374076323.db2.gz UDFFIQXKOOUNHF-PELKAZGASA-N 0 3 266.301 -1.122 20 0 CAADHN O=C(NC[C@@H]1COCCN1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000627325761 374076756 /nfs/dbraw/zinc/07/67/56/374076756.db2.gz TUUHIHPNHDNFBG-WDEREUQCSA-N 0 3 296.371 -1.556 20 0 CAADHN O=C(NC[C@H]1COCCN1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000627325760 374076995 /nfs/dbraw/zinc/07/69/95/374076995.db2.gz TUUHIHPNHDNFBG-QWRGUYRKSA-N 0 3 296.371 -1.556 20 0 CAADHN Nc1nc(N)nc(NCCN2CCC(O)CC2)n1 ZINC000624260238 374109891 /nfs/dbraw/zinc/10/98/91/374109891.db2.gz HMMHSWCGVWXRNB-UHFFFAOYSA-N 0 3 253.310 -2.013 20 0 CAADHN Nc1nc(N)nc(N[C@H]2CCN(CC(F)F)C2)n1 ZINC000624286971 374110268 /nfs/dbraw/zinc/11/02/68/374110268.db2.gz NBGRTSQXHKNHFW-YFKPBYRVSA-N 0 3 259.264 -1.130 20 0 CAADHN C[C@H]1CN(c2nc(N)nc(N)n2)[C@@H](C)CN1CCO ZINC000624286466 374110458 /nfs/dbraw/zinc/11/04/58/374110458.db2.gz YNGTVBZPJHUQAE-YUMQZZPRSA-N 0 3 267.337 -1.412 20 0 CAADHN CCS(=O)(=O)CCCNc1nc(N)nc(N)n1 ZINC000624283933 374110741 /nfs/dbraw/zinc/11/07/41/374110741.db2.gz AZWZKYYQWSILCZ-UHFFFAOYSA-N 0 3 260.323 -1.645 20 0 CAADHN Nc1nc(N)nc(N2CCN(c3ncns3)CC2)n1 ZINC000624319238 374110837 /nfs/dbraw/zinc/11/08/37/374110837.db2.gz GWXNGALDMZHPEI-UHFFFAOYSA-N 0 3 279.333 -1.125 20 0 CAADHN CO[C@H]1COCC[C@@H]1CNc1nc(N)nc(N)n1 ZINC000624250456 374110909 /nfs/dbraw/zinc/11/09/09/374110909.db2.gz SJRPDTKFCZZCSJ-RQJHMYQMSA-N 0 3 254.294 -1.418 20 0 CAADHN COCC(COC)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000624274801 374110968 /nfs/dbraw/zinc/11/09/68/374110968.db2.gz CGOIZSMDLXKQRD-UHFFFAOYSA-N 0 3 297.363 -1.520 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1c1nc(N)nc(N)n1 ZINC000624331276 374111075 /nfs/dbraw/zinc/11/10/75/374111075.db2.gz UUIQNCBJESSWIB-ZETCQYMHSA-N 0 3 280.336 -1.747 20 0 CAADHN CN1C(=O)CC[C@H](Nc2nc(N)nc(N)n2)C1=O ZINC000624296944 374111447 /nfs/dbraw/zinc/11/14/47/374111447.db2.gz LCSBMHAPLQETSU-BYPYZUCNSA-N 0 3 251.250 -2.322 20 0 CAADHN CC(C)(C)n1nnc(CNc2nc(N)nc(N)n2)n1 ZINC000624373616 374113385 /nfs/dbraw/zinc/11/33/85/374113385.db2.gz TZIVJROWCCXWPT-UHFFFAOYSA-N 0 3 264.297 -1.528 20 0 CAADHN Cc1ncc(S(=O)(=O)NC[C@@H]2CNCCO2)n1C ZINC000624370486 374113454 /nfs/dbraw/zinc/11/34/54/374113454.db2.gz LUBVQCIPJYLTBA-VIFPVBQESA-N 0 3 274.346 -1.005 20 0 CAADHN Cc1nn(C)cc1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000624370188 374113478 /nfs/dbraw/zinc/11/34/78/374113478.db2.gz BBVPLSVALBNYLL-VIFPVBQESA-N 0 3 274.346 -1.005 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000642643769 374113873 /nfs/dbraw/zinc/11/38/73/374113873.db2.gz ITUHJAPZBUGJAS-SSDOTTSWSA-N 0 3 294.277 -1.173 20 0 CAADHN Nc1nc(N)nc(NC[C@@]2(OCCO)CCOC2)n1 ZINC000624391956 374114000 /nfs/dbraw/zinc/11/40/00/374114000.db2.gz HNNZBFGJEHLIJW-JTQLQIEISA-N 0 3 270.293 -2.301 20 0 CAADHN Cc1nn(C)cc1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000624370187 374114213 /nfs/dbraw/zinc/11/42/13/374114213.db2.gz BBVPLSVALBNYLL-SECBINFHSA-N 0 3 274.346 -1.005 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC(=O)NCC1CC1 ZINC000393060551 374114365 /nfs/dbraw/zinc/11/43/65/374114365.db2.gz GLHFCNKUIIEPPE-LBPRGKRZSA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@H](CNC(=O)C(=O)NC[C@H]1COCCN1)N(C)C1CC1 ZINC000627372748 374116170 /nfs/dbraw/zinc/11/61/70/374116170.db2.gz WDFQOBNSROXWBP-MNOVXSKESA-N 0 3 298.387 -1.310 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000627371923 374116916 /nfs/dbraw/zinc/11/69/16/374116916.db2.gz WDPGUSOWSSUEIQ-JTQLQIEISA-N 0 3 294.359 -1.175 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000627394975 374118105 /nfs/dbraw/zinc/11/81/05/374118105.db2.gz WVJZPOKIKYRYPH-UHFFFAOYSA-N 0 3 298.387 -1.225 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000627386118 374118401 /nfs/dbraw/zinc/11/84/01/374118401.db2.gz GNUXWYMUXDGHJG-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCCN1CCCC1=O ZINC000627389686 374118592 /nfs/dbraw/zinc/11/85/92/374118592.db2.gz MLJAGVLYVJBWCB-UHFFFAOYSA-N 0 3 284.360 -1.078 20 0 CAADHN NCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000627399642 374119065 /nfs/dbraw/zinc/11/90/65/374119065.db2.gz YEJQCKPJYOYPOG-JOYOIKCWSA-N 0 3 255.318 -1.318 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCOC[C@@H]1CCOC1 ZINC000627386379 374119355 /nfs/dbraw/zinc/11/93/55/374119355.db2.gz NAAMVRXGVGVEIN-LLVKDONJSA-N 0 3 287.360 -1.037 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000627412141 374121102 /nfs/dbraw/zinc/12/11/02/374121102.db2.gz DICDOXRLLFEKBK-WDEREUQCSA-N 0 3 284.360 -1.713 20 0 CAADHN COC[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000627420842 374122205 /nfs/dbraw/zinc/12/22/05/374122205.db2.gz UKIUWNTVLMPFLX-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCN1CCCC1=O ZINC000627423039 374122518 /nfs/dbraw/zinc/12/25/18/374122518.db2.gz BIMBPMYRFNUVMU-UHFFFAOYSA-N 0 3 270.333 -1.468 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000627421651 374122535 /nfs/dbraw/zinc/12/25/35/374122535.db2.gz PNBOEHAMCQRECO-SRVKXCTJSA-N 0 3 297.355 -1.225 20 0 CAADHN CCN(CCN)C(=O)C(=O)NC[C@H]1CC(=O)N(CC)C1 ZINC000627423392 374122701 /nfs/dbraw/zinc/12/27/01/374122701.db2.gz MDCAKTHQXDMZJR-SNVBAGLBSA-N 0 3 284.360 -1.222 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000627421649 374122791 /nfs/dbraw/zinc/12/27/91/374122791.db2.gz PNBOEHAMCQRECO-GRYCIOLGSA-N 0 3 297.355 -1.225 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CCC[C@H]1COC ZINC000627418834 374122880 /nfs/dbraw/zinc/12/28/80/374122880.db2.gz DMMORVIYFKAGDW-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627429056 374122951 /nfs/dbraw/zinc/12/29/51/374122951.db2.gz WPJLMATUZPPYJX-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN COC[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000627420843 374123196 /nfs/dbraw/zinc/12/31/96/374123196.db2.gz UKIUWNTVLMPFLX-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000627468089 374126719 /nfs/dbraw/zinc/12/67/19/374126719.db2.gz KGCPVTKYKKYWRS-CVZZAPKMSA-N 0 3 296.371 -1.617 20 0 CAADHN CCN(CCN)C(=O)C(=O)NC[C@H]1COCCN1C ZINC000627468590 374128969 /nfs/dbraw/zinc/12/89/69/374128969.db2.gz ZDRIIGLQGHYSDA-JTQLQIEISA-N 0 3 272.349 -1.760 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627475868 374130182 /nfs/dbraw/zinc/13/01/82/374130182.db2.gz WEWOCFCIFRHICD-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627475597 374130311 /nfs/dbraw/zinc/13/03/11/374130311.db2.gz QBXUTEVOEBMESD-LLVKDONJSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@@H](C(=O)NCCOCCS(N)(=O)=O)N(C)C ZINC000622050642 374085318 /nfs/dbraw/zinc/08/53/18/374085318.db2.gz WQTPYRDBEJJQJO-VIFPVBQESA-N 0 3 281.378 -1.252 20 0 CAADHN CN(C)[C@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@@H]1O ZINC000622060168 374085771 /nfs/dbraw/zinc/08/57/71/374085771.db2.gz VNNKNLUMIBLVOZ-UWVGGRQHSA-N 0 3 266.301 -1.140 20 0 CAADHN CCN1CCN(CCNc2nc(N)nc(N)n2)CC1 ZINC000623848192 374091287 /nfs/dbraw/zinc/09/12/87/374091287.db2.gz JJKHDLXDAGQNAO-UHFFFAOYSA-N 0 3 266.353 -1.832 20 0 CAADHN CN(C)CC(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623841124 374091577 /nfs/dbraw/zinc/09/15/77/374091577.db2.gz OOBMMZVLSFEOOL-UHFFFAOYSA-N 0 3 280.336 -2.093 20 0 CAADHN Nc1nc(N)nc(N2CCC[C@@H]2C(=O)NC2CC2)n1 ZINC000623847985 374091660 /nfs/dbraw/zinc/09/16/60/374091660.db2.gz APBGQOUPOPETIU-SSDOTTSWSA-N 0 3 263.305 -1.056 20 0 CAADHN CN(C)C(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623850280 374091773 /nfs/dbraw/zinc/09/17/73/374091773.db2.gz BPAFUSWMXJKMOQ-UHFFFAOYSA-N 0 3 266.309 -1.500 20 0 CAADHN CC(C)(CNc1nc(N)nc(N)n1)N1CCOCC1 ZINC000623797831 374091949 /nfs/dbraw/zinc/09/19/49/374091949.db2.gz CZGAHDKTQNBQPG-UHFFFAOYSA-N 0 3 267.337 -1.359 20 0 CAADHN Nc1nc(N)nc(N2CCN(c3ncccn3)CC2)n1 ZINC000623791032 374092289 /nfs/dbraw/zinc/09/22/89/374092289.db2.gz ZZCPAOACDHBCTH-UHFFFAOYSA-N 0 3 273.304 -1.187 20 0 CAADHN Nc1nc(N)nc(NCCC(=O)N2CCOCC2)n1 ZINC000623831936 374092380 /nfs/dbraw/zinc/09/23/80/374092380.db2.gz BCIZNOPXPWQXTD-UHFFFAOYSA-N 0 3 267.293 -2.221 20 0 CAADHN CS(=O)(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623819365 374092850 /nfs/dbraw/zinc/09/28/50/374092850.db2.gz ZHISXMJZZCYVGB-UHFFFAOYSA-N 0 3 273.322 -2.222 20 0 CAADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(OC)n[nH]1 ZINC000627489357 374133037 /nfs/dbraw/zinc/13/30/37/374133037.db2.gz ZJEIIUZARFKSFD-UHFFFAOYSA-N 0 3 299.331 -1.213 20 0 CAADHN CC1(C)CN(CCNc2nc(N)nc(N)n2)CCO1 ZINC000623924527 374093867 /nfs/dbraw/zinc/09/38/67/374093867.db2.gz FOYNAWVCJSMRSK-UHFFFAOYSA-N 0 3 267.337 -1.359 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000623872002 374093923 /nfs/dbraw/zinc/09/39/23/374093923.db2.gz RSGWBSIQOWJAPB-MRVPVSSYSA-N 0 3 287.331 -1.010 20 0 CAADHN C[C@@H](CNc1nc(N)nc(N)n1)N1CCN(C)CC1 ZINC000623932076 374093945 /nfs/dbraw/zinc/09/39/45/374093945.db2.gz YFADBYMPJJEKDB-QMMMGPOBSA-N 0 3 266.353 -1.834 20 0 CAADHN C[C@H](Nc1nc(N)nc(N)n1)C(=O)NCc1ccco1 ZINC000623902577 374093978 /nfs/dbraw/zinc/09/39/78/374093978.db2.gz LEMYZLXUSSBZJO-LURJTMIESA-N 0 3 277.288 -1.172 20 0 CAADHN Nc1ccc(N2CCN(c3nc(N)nc(N)n3)CC2)cn1 ZINC000623902376 374094270 /nfs/dbraw/zinc/09/42/70/374094270.db2.gz GNBLLADDTPJOGG-UHFFFAOYSA-N 0 3 287.331 -1.169 20 0 CAADHN CC(=O)N1CCN(CCNc2nc(N)nc(N)n2)CC1 ZINC000623858788 374094403 /nfs/dbraw/zinc/09/44/03/374094403.db2.gz WEAFUFXCJFTVHB-UHFFFAOYSA-N 0 3 280.336 -2.305 20 0 CAADHN CC[C@H](C)NC(=O)[C@@H](C)Nc1nc(N)nc(N)n1 ZINC000623902194 374094460 /nfs/dbraw/zinc/09/44/60/374094460.db2.gz CZGNNTUFMOWJQQ-NTSWFWBYSA-N 0 3 253.310 -1.166 20 0 CAADHN CNC(=O)C1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623903068 374094619 /nfs/dbraw/zinc/09/46/19/374094619.db2.gz YKJMFPHFTJYDNM-UHFFFAOYSA-N 0 3 265.321 -1.165 20 0 CAADHN C[C@H](CNc1nc(N)nc(N)n1)N1CCN(C)CC1 ZINC000623932075 374095100 /nfs/dbraw/zinc/09/51/00/374095100.db2.gz YFADBYMPJJEKDB-MRVPVSSYSA-N 0 3 266.353 -1.834 20 0 CAADHN C[C@@H]1CC[C@H](C(N)=O)CN1c1nc(N)nc(N)n1 ZINC000623871568 374095133 /nfs/dbraw/zinc/09/51/33/374095133.db2.gz HVQYDWYYQXQODU-RITPCOANSA-N 0 3 251.294 -1.213 20 0 CAADHN C[C@@H](Nc1nc(N)nc(N)n1)C(=O)NCc1ccco1 ZINC000623902578 374095706 /nfs/dbraw/zinc/09/57/06/374095706.db2.gz LEMYZLXUSSBZJO-ZCFIWIBFSA-N 0 3 277.288 -1.172 20 0 CAADHN CC[C@@H](C)NC(=O)CCNc1nc(N)nc(N)n1 ZINC000623873917 374096069 /nfs/dbraw/zinc/09/60/69/374096069.db2.gz VLAAPPHUSJUMFE-ZCFIWIBFSA-N 0 3 253.310 -1.165 20 0 CAADHN CC(=O)NC1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623927785 374096200 /nfs/dbraw/zinc/09/62/00/374096200.db2.gz VGVCKCFKHADNEG-UHFFFAOYSA-N 0 3 265.321 -1.022 20 0 CAADHN C[C@H](CN1CCOCC1)Nc1nc(N)nc(N)n1 ZINC000623860827 374096212 /nfs/dbraw/zinc/09/62/12/374096212.db2.gz GNIWSHNOUMRUCA-SSDOTTSWSA-N 0 3 253.310 -1.749 20 0 CAADHN CS(=O)(=O)[C@H]1CCC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623989420 374097202 /nfs/dbraw/zinc/09/72/02/374097202.db2.gz WXVLCBJMTIKTHM-BQBZGAKWSA-N 0 3 286.361 -1.114 20 0 CAADHN NC(=O)[C@@H]1CCC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000623985149 374097293 /nfs/dbraw/zinc/09/72/93/374097293.db2.gz GEPBWBGDJOUPCJ-PHDIDXHHSA-N 0 3 251.294 -1.425 20 0 CAADHN CN1CCC[C@@H](N2CCN(c3nc(N)nc(N)n3)CC2)C1 ZINC000623974953 374097364 /nfs/dbraw/zinc/09/73/64/374097364.db2.gz VASXLQFGAALJSD-SNVBAGLBSA-N 0 3 292.391 -1.087 20 0 CAADHN Nc1nc(N)nc(NCCOC[C@H]2CCCO2)n1 ZINC000623974540 374097443 /nfs/dbraw/zinc/09/74/43/374097443.db2.gz HNNBOJNLTJRZON-SSDOTTSWSA-N 0 3 254.294 -1.274 20 0 CAADHN Nc1nc(N)nc(NCCCOC[C@@H]2CCOC2)n1 ZINC000623988458 374097502 /nfs/dbraw/zinc/09/75/02/374097502.db2.gz KTFUGPRQLMXUQT-QMMMGPOBSA-N 0 3 268.321 -1.026 20 0 CAADHN COCCN1CCC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623951272 374097865 /nfs/dbraw/zinc/09/78/65/374097865.db2.gz GTMVGADXLJQTMB-QMMMGPOBSA-N 0 3 267.337 -1.359 20 0 CAADHN Nc1nc(N)nc(NCCCN2C(=O)CNC2=O)n1 ZINC000623955406 374098545 /nfs/dbraw/zinc/09/85/45/374098545.db2.gz ZBQVSXODKRYZNR-UHFFFAOYSA-N 0 3 266.265 -2.528 20 0 CAADHN CC(C)(CO)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623974750 374098664 /nfs/dbraw/zinc/09/86/64/374098664.db2.gz OZGICGHZRUCRAT-UHFFFAOYSA-N 0 3 267.337 -1.410 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000623964404 374098710 /nfs/dbraw/zinc/09/87/10/374098710.db2.gz FYUXQWXXVJHJOD-SCSAIBSYSA-N 0 3 291.237 -1.306 20 0 CAADHN CS(=O)(=O)[C@@H]1CCC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623989421 374098802 /nfs/dbraw/zinc/09/88/02/374098802.db2.gz WXVLCBJMTIKTHM-NKWVEPMBSA-N 0 3 286.361 -1.114 20 0 CAADHN Nc1nc(N)nc(NC[C@H](O)C2CCOCC2)n1 ZINC000623983125 374098842 /nfs/dbraw/zinc/09/88/42/374098842.db2.gz SDJIWXYFLIUOCN-ZETCQYMHSA-N 0 3 254.294 -1.682 20 0 CAADHN Nc1nc(N)nc(N[C@H]2CCCS(=O)(=O)C2)n1 ZINC000623980398 374098877 /nfs/dbraw/zinc/09/88/77/374098877.db2.gz FSSBMYAWONKTGY-YFKPBYRVSA-N 0 3 258.307 -1.892 20 0 CAADHN CN1CCN(C)[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000623963047 374098990 /nfs/dbraw/zinc/09/89/90/374098990.db2.gz WVDPFLXCJOUCTL-ZETCQYMHSA-N 0 3 252.326 -2.224 20 0 CAADHN Nc1nc(N)nc(NC[C@@H](O)C2CCOCC2)n1 ZINC000623983124 374099180 /nfs/dbraw/zinc/09/91/80/374099180.db2.gz SDJIWXYFLIUOCN-SSDOTTSWSA-N 0 3 254.294 -1.682 20 0 CAADHN CN1CCN(C)[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623963046 374099389 /nfs/dbraw/zinc/09/93/89/374099389.db2.gz WVDPFLXCJOUCTL-SSDOTTSWSA-N 0 3 252.326 -2.224 20 0 CAADHN NC(=O)C1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623957055 374099434 /nfs/dbraw/zinc/09/94/34/374099434.db2.gz YTCSKTHLAYCRTM-UHFFFAOYSA-N 0 3 251.294 -1.425 20 0 CAADHN Nc1nc(N)nc(NCCCOC[C@H]2CCOC2)n1 ZINC000623988457 374099458 /nfs/dbraw/zinc/09/94/58/374099458.db2.gz KTFUGPRQLMXUQT-MRVPVSSYSA-N 0 3 268.321 -1.026 20 0 CAADHN COCCN(CC(=O)N(C)C)c1nc(N)nc(N)n1 ZINC000624016485 374100436 /nfs/dbraw/zinc/10/04/36/374100436.db2.gz YEYFTRKNGWIUNY-UHFFFAOYSA-N 0 3 269.309 -1.762 20 0 CAADHN CC(=O)N1CCN(c2nc(N)nc(N)n2)[C@H](C)C1 ZINC000624038930 374100884 /nfs/dbraw/zinc/10/08/84/374100884.db2.gz VDOIGGDNESMXSR-ZCFIWIBFSA-N 0 3 251.294 -1.246 20 0 CAADHN C[C@@H]1C[C@@H]1N1C[C@H](Nc2nc(N)nc(N)n2)CC1=O ZINC000624005369 374100928 /nfs/dbraw/zinc/10/09/28/374100928.db2.gz PADVRABNWDJDCT-QYNIQEEDSA-N 0 3 263.305 -1.460 20 0 CAADHN Cn1cc(N2CCN(c3nc(N)nc(N)n3)CC2=O)cn1 ZINC000624024764 374101175 /nfs/dbraw/zinc/10/11/75/374101175.db2.gz XQGPNOJAFKEUNW-UHFFFAOYSA-N 0 3 289.303 -1.717 20 0 CAADHN COC1CCN(CCNc2nc(N)nc(N)n2)CC1 ZINC000624025301 374101215 /nfs/dbraw/zinc/10/12/15/374101215.db2.gz VSZDKJNECPJTSF-UHFFFAOYSA-N 0 3 267.337 -1.359 20 0 CAADHN CC(C)(C)N1C[C@H](Nc2nc(N)nc(N)n2)CC1=O ZINC000624014484 374101246 /nfs/dbraw/zinc/10/12/46/374101246.db2.gz ZUJDQUMNANYLSP-ZCFIWIBFSA-N 0 3 265.321 -1.070 20 0 CAADHN C[C@@H](CCS(C)(=O)=O)Nc1nc(N)nc(N)n1 ZINC000624038601 374101335 /nfs/dbraw/zinc/10/13/35/374101335.db2.gz NYVTVYBOBXTHEM-YFKPBYRVSA-N 0 3 260.323 -1.646 20 0 CAADHN COCc1nc2n(n1)C[C@@H](Nc1nc(N)nc(N)n1)CC2 ZINC000624032919 374102027 /nfs/dbraw/zinc/10/20/27/374102027.db2.gz JGCIXQRKLIZTFV-LURJTMIESA-N 0 3 291.319 -1.717 20 0 CAADHN CC[C@H](CO)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000624004944 374102093 /nfs/dbraw/zinc/10/20/93/374102093.db2.gz ZXPJHORVZQZMGB-MRVPVSSYSA-N 0 3 267.337 -1.410 20 0 CAADHN CS(=O)(=O)CC1(CNc2nc(N)nc(N)n2)CC1 ZINC000624020689 374102304 /nfs/dbraw/zinc/10/23/04/374102304.db2.gz UGSCWWRJFARKPJ-UHFFFAOYSA-N 0 3 272.334 -1.645 20 0 CAADHN Nc1nc(N)nc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1 ZINC000624033573 374102389 /nfs/dbraw/zinc/10/23/89/374102389.db2.gz LQJUCHUOQBQBOC-RQJHMYQMSA-N 0 3 263.305 -1.056 20 0 CAADHN CC[C@@H](CO)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000624004945 374102398 /nfs/dbraw/zinc/10/23/98/374102398.db2.gz ZXPJHORVZQZMGB-QMMMGPOBSA-N 0 3 267.337 -1.410 20 0 CAADHN Nc1nc(N)nc(NCCCNC(=O)C2CCC2)n1 ZINC000624022695 374102601 /nfs/dbraw/zinc/10/26/01/374102601.db2.gz ZKQFYSSGJXWRJJ-UHFFFAOYSA-N 0 3 265.321 -1.163 20 0 CAADHN COCCCOC1CN(c2nc(N)nc(N)n2)C1 ZINC000624028242 374102699 /nfs/dbraw/zinc/10/26/99/374102699.db2.gz MMWYKGYBPUDLEO-UHFFFAOYSA-N 0 3 254.294 -1.062 20 0 CAADHN Nc1nc(N)nc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1 ZINC000624033570 374102819 /nfs/dbraw/zinc/10/28/19/374102819.db2.gz LQJUCHUOQBQBOC-BQBZGAKWSA-N 0 3 263.305 -1.056 20 0 CAADHN NC(=O)[C@H]1CCCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624036419 374102865 /nfs/dbraw/zinc/10/28/65/374102865.db2.gz LQEZZJZILVKLSO-NTSWFWBYSA-N 0 3 251.294 -1.425 20 0 CAADHN C[C@H](CO[C@H]1CCOC1)Nc1nc(N)nc(N)n1 ZINC000624027510 374102960 /nfs/dbraw/zinc/10/29/60/374102960.db2.gz WQWZMXQNOLJZOE-RQJHMYQMSA-N 0 3 254.294 -1.275 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN1c1nc(N)nc(N)n1 ZINC000624024573 374102996 /nfs/dbraw/zinc/10/29/96/374102996.db2.gz PGCLFQZFOJZRMO-LURJTMIESA-N 0 3 287.349 -1.785 20 0 CAADHN CC(C)[C@@H]1C(=O)NCCN1c1nc(N)nc(N)n1 ZINC000624070786 374103982 /nfs/dbraw/zinc/10/39/82/374103982.db2.gz PIOOVTCKMVLMFH-ZCFIWIBFSA-N 0 3 251.294 -1.342 20 0 CAADHN C[C@@](O)(CNc1nc(N)nc(N)n1)C(F)(F)F ZINC000624071680 374104308 /nfs/dbraw/zinc/10/43/08/374104308.db2.gz HWUAJHWJLHOZKE-ZCFIWIBFSA-N 0 3 252.200 -1.156 20 0 CAADHN C[C@@H](O)C[C@@H]1COCCN1c1nc(N)nc(N)n1 ZINC000624105923 374104425 /nfs/dbraw/zinc/10/44/25/374104425.db2.gz HQAQUYOJHARZMH-RNFRBKRXSA-N 0 3 254.294 -1.327 20 0 CAADHN Nc1nc(N)nc(N[C@H]2CCCN(CCO)C2=O)n1 ZINC000624108383 374105139 /nfs/dbraw/zinc/10/51/39/374105139.db2.gz SOOLULQCFLEBRT-LURJTMIESA-N 0 3 267.293 -2.486 20 0 CAADHN Nc1nc(N)nc(NCCC(=O)NCc2ccccn2)n1 ZINC000624098446 374105323 /nfs/dbraw/zinc/10/53/23/374105323.db2.gz BSSLRPBZSBSWCI-UHFFFAOYSA-N 0 3 288.315 -1.368 20 0 CAADHN Nc1nc(N)nc(N[C@@H](CO)C2CCOCC2)n1 ZINC000624094491 374105355 /nfs/dbraw/zinc/10/53/55/374105355.db2.gz GSXXDJZNAASLRN-ZETCQYMHSA-N 0 3 254.294 -1.682 20 0 CAADHN NC(=O)[C@@H]1CCCCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624053280 374105409 /nfs/dbraw/zinc/10/54/09/374105409.db2.gz BJBVJJPRJCPRFE-RQJHMYQMSA-N 0 3 265.321 -1.035 20 0 CAADHN Nc1nc(N)nc(NCCc2nnc3n2CCCC3)n1 ZINC000624097691 374105476 /nfs/dbraw/zinc/10/54/76/374105476.db2.gz ANJDAFHLDAIPRR-UHFFFAOYSA-N 0 3 275.320 -1.299 20 0 CAADHN CC(C)C(=O)NCCN(C)c1nc(N)nc(N)n1 ZINC000624077385 374105517 /nfs/dbraw/zinc/10/55/17/374105517.db2.gz IXFOBIBDBHDNTK-UHFFFAOYSA-N 0 3 253.310 -1.095 20 0 CAADHN NC(=O)C[C@H]1CCCCN1c1nc(N)nc(N)n1 ZINC000624071532 374105573 /nfs/dbraw/zinc/10/55/73/374105573.db2.gz CENOCNRXYLDBBE-ZCFIWIBFSA-N 0 3 251.294 -1.069 20 0 CAADHN CS(=O)(=O)CCCCCNc1nc(N)nc(N)n1 ZINC000624113290 374105667 /nfs/dbraw/zinc/10/56/67/374105667.db2.gz BMTXIWFNRAUTHF-UHFFFAOYSA-N 0 3 274.350 -1.255 20 0 CAADHN CC(C)C(=O)NCCCNc1nc(N)nc(N)n1 ZINC000624066690 374105779 /nfs/dbraw/zinc/10/57/79/374105779.db2.gz WRRKRLHDPPLMEM-UHFFFAOYSA-N 0 3 253.310 -1.307 20 0 CAADHN Nc1nc(N)nc(N[C@@H](CO)CC(F)(F)F)n1 ZINC000624066299 374106219 /nfs/dbraw/zinc/10/62/19/374106219.db2.gz DYLOZJHNMYQTLZ-GSVOUGTGSA-N 0 3 252.200 -1.156 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000624061108 374106244 /nfs/dbraw/zinc/10/62/44/374106244.db2.gz UHMYGWYHRYHKDS-LURJTMIESA-N 0 3 287.349 -2.188 20 0 CAADHN CCNS(=O)(=O)[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624080909 374106290 /nfs/dbraw/zinc/10/62/90/374106290.db2.gz AUCKMNXNCFPREU-ZCFIWIBFSA-N 0 3 287.349 -1.785 20 0 CAADHN Nc1nc(N)nc(N2CCN3CCOC[C@@H]3C2)n1 ZINC000624100559 374106311 /nfs/dbraw/zinc/10/63/11/374106311.db2.gz XBRYRDHPXGAGEM-ZETCQYMHSA-N 0 3 251.294 -1.782 20 0 CAADHN Nc1nc(N)nc(N[C@H](CO)CC(F)(F)F)n1 ZINC000624066300 374106328 /nfs/dbraw/zinc/10/63/28/374106328.db2.gz DYLOZJHNMYQTLZ-VKHMYHEASA-N 0 3 252.200 -1.156 20 0 CAADHN C[C@](O)(CNc1nc(N)nc(N)n1)C(F)(F)F ZINC000624071679 374106350 /nfs/dbraw/zinc/10/63/50/374106350.db2.gz HWUAJHWJLHOZKE-LURJTMIESA-N 0 3 252.200 -1.156 20 0 CAADHN CC(C)(C)[C@H](O)C[C@H](CO)Nc1nc(N)nc(N)n1 ZINC000624190985 374107111 /nfs/dbraw/zinc/10/71/11/374107111.db2.gz UFBJPSGOXOEFBR-RNFRBKRXSA-N 0 3 270.337 -1.311 20 0 CAADHN CN(C)S(=O)(=O)NCCNc1nc(N)nc(N)n1 ZINC000624214490 374107488 /nfs/dbraw/zinc/10/74/88/374107488.db2.gz MEQRLSFWHPQOIA-UHFFFAOYSA-N 0 3 276.326 -3.073 20 0 CAADHN CS(=O)(=O)NC1CC(Nc2nc(N)nc(N)n2)C1 ZINC000624188310 374107868 /nfs/dbraw/zinc/10/78/68/374107868.db2.gz CPJGXMATPAMJEF-UHFFFAOYSA-N 0 3 273.322 -2.389 20 0 CAADHN COCC1(CNc2nc(N)nc(N)n2)CCOCC1 ZINC000624236391 374107928 /nfs/dbraw/zinc/10/79/28/374107928.db2.gz BLHBZMVWPDXKAA-UHFFFAOYSA-N 0 3 268.321 -1.026 20 0 CAADHN C[C@@H]1CN(c2nc(N)nc(N)n2)C[C@H](C)S1(=O)=O ZINC000624234042 374108307 /nfs/dbraw/zinc/10/83/07/374108307.db2.gz PHOVNMHYEDJZFW-OLQVQODUSA-N 0 3 272.334 -1.291 20 0 CAADHN CC(C)(C)[C@H](O)C[C@@H](CO)Nc1nc(N)nc(N)n1 ZINC000624190984 374108321 /nfs/dbraw/zinc/10/83/21/374108321.db2.gz UFBJPSGOXOEFBR-NKWVEPMBSA-N 0 3 270.337 -1.311 20 0 CAADHN CC[C@@H](CNS(C)(=O)=O)Nc1nc(N)nc(N)n1 ZINC000624249467 374108612 /nfs/dbraw/zinc/10/86/12/374108612.db2.gz KRSDTCMCQJOUTO-YFKPBYRVSA-N 0 3 275.338 -2.142 20 0 CAADHN Nc1nc(N)nc(N2CCN(CC(F)(F)F)C(=O)C2)n1 ZINC000624216285 374108633 /nfs/dbraw/zinc/10/86/33/374108633.db2.gz BESHLZWGWWFUDL-UHFFFAOYSA-N 0 3 291.237 -1.092 20 0 CAADHN Nc1nc(N)nc(NC[C@H]2CCCCN2CCO)n1 ZINC000624248874 374108720 /nfs/dbraw/zinc/10/87/20/374108720.db2.gz HNSLAVFOKIPZGT-MRVPVSSYSA-N 0 3 267.337 -1.623 20 0 CAADHN CN1CCN(CCNc2nc(N)nc(N)n2)CC1(C)C ZINC000624184896 374108961 /nfs/dbraw/zinc/10/89/61/374108961.db2.gz ZVXMMURFCVXBPK-UHFFFAOYSA-N 0 3 280.380 -1.443 20 0 CAADHN C[C@@H]1CN(c2nc(N)nc(N)n2)C[C@@H](C)S1(=O)=O ZINC000624234043 374109021 /nfs/dbraw/zinc/10/90/21/374109021.db2.gz PHOVNMHYEDJZFW-PHDIDXHHSA-N 0 3 272.334 -1.291 20 0 CAADHN COCCn1cc(CNc2nc(N)nc(N)n2)cn1 ZINC000624185985 374109038 /nfs/dbraw/zinc/10/90/38/374109038.db2.gz VWHQIGGLYIYWSW-UHFFFAOYSA-N 0 3 264.293 -1.426 20 0 CAADHN COCCN1CN(c2nc(N)nc(N)n2)CC1=O ZINC000624189249 374109100 /nfs/dbraw/zinc/10/91/00/374109100.db2.gz AWIZKNNLQGIOFS-UHFFFAOYSA-N 0 3 253.266 -2.051 20 0 CAADHN CN(C)CCn1cc(C(=O)NC[C@@](C)(O)CO)cn1 ZINC000632835792 374180641 /nfs/dbraw/zinc/18/06/41/374180641.db2.gz RVGYEVPIEIQASY-GFCCVEGCSA-N 0 3 270.333 -1.082 20 0 CAADHN CN1C(=O)CN(CC(=O)N2CCN3CC[C@H]2C3)C1=O ZINC000627572442 374139298 /nfs/dbraw/zinc/13/92/98/374139298.db2.gz HTIBSDBQPFLHMJ-VIFPVBQESA-N 0 3 266.301 -1.203 20 0 CAADHN COC(=O)C[C@@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000133207219 374143140 /nfs/dbraw/zinc/14/31/40/374143140.db2.gz JHUQEDHQWUTLCG-LLVKDONJSA-N 0 3 285.344 -1.318 20 0 CAADHN COCCN(C)CCNC(=O)NCC(=O)N(C)C ZINC000171191824 374145955 /nfs/dbraw/zinc/14/59/55/374145955.db2.gz FEDJEJAIRIITEB-UHFFFAOYSA-N 0 3 260.338 -1.048 20 0 CAADHN COCCN(C)CCNC(=O)NCCNC(C)=O ZINC000171189122 374146940 /nfs/dbraw/zinc/14/69/40/374146940.db2.gz VQMJQBAFRPGUFX-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN CCNC(=O)CNC(=O)NCCN(C)CCOC ZINC000171192112 374146959 /nfs/dbraw/zinc/14/69/59/374146959.db2.gz ZUZXLUZDDFDQMX-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN CN(C)CCCS(=O)(=O)NCCNS(C)(=O)=O ZINC000631707785 374149167 /nfs/dbraw/zinc/14/91/67/374149167.db2.gz KKZRQCYGJOCTEU-UHFFFAOYSA-N 0 3 287.407 -1.593 20 0 CAADHN C[C@H]1CNCCN1S(=O)(=O)C[C@H]1CNCCO1 ZINC000631902339 374150824 /nfs/dbraw/zinc/15/08/24/374150824.db2.gz IGGFHNSWYNSXJJ-VHSXEESVSA-N 0 3 263.363 -1.402 20 0 CAADHN CNC(=O)NC[C@@H]1COCCN1C[C@@H]1CNCCO1 ZINC000631872674 374151075 /nfs/dbraw/zinc/15/10/75/374151075.db2.gz DMAZHAXZBMOZEB-MNOVXSKESA-N 0 3 272.349 -1.395 20 0 CAADHN CNC(=O)NC[C@H]1COCCN1C[C@H]1CNCCO1 ZINC000631872676 374151095 /nfs/dbraw/zinc/15/10/95/374151095.db2.gz DMAZHAXZBMOZEB-WDEREUQCSA-N 0 3 272.349 -1.395 20 0 CAADHN O=S(=O)(C[C@H]1CNCCO1)N1CCCNCC1 ZINC000631901249 374151141 /nfs/dbraw/zinc/15/11/41/374151141.db2.gz WHENEBPINUFKBL-SNVBAGLBSA-N 0 3 263.363 -1.400 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C[C@H]2CNCCO2)CCN1 ZINC000631904153 374151232 /nfs/dbraw/zinc/15/12/32/374151232.db2.gz GEGKJUYQCPHWES-NXEZZACHSA-N 0 3 263.363 -1.402 20 0 CAADHN C[C@@H]1CNCCN1S(=O)(=O)C[C@H]1CNCCO1 ZINC000631902337 374151364 /nfs/dbraw/zinc/15/13/64/374151364.db2.gz IGGFHNSWYNSXJJ-NXEZZACHSA-N 0 3 263.363 -1.402 20 0 CAADHN CN1CCN(CCCS(=O)(=O)N2CCNCC2)CC1 ZINC000631900888 374151893 /nfs/dbraw/zinc/15/18/93/374151893.db2.gz LANKCBOJEKZCMS-UHFFFAOYSA-N 0 3 290.433 -1.141 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C[C@@H]2CNCCO2)C[C@H](C)N1 ZINC000631904516 374151999 /nfs/dbraw/zinc/15/19/99/374151999.db2.gz PYCUPKHFLSQMRE-AXFHLTTASA-N 0 3 277.390 -1.013 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C[C@H]2CNCCO2)[C@@H](C)CN1 ZINC000631930070 374153335 /nfs/dbraw/zinc/15/33/35/374153335.db2.gz WHVWYHBOYNXWTC-OUAUKWLOSA-N 0 3 277.390 -1.013 20 0 CAADHN CN(C)C1(CS(=O)(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000631907487 374154373 /nfs/dbraw/zinc/15/43/73/374154373.db2.gz LTMNXWPJIIEJNM-LLVKDONJSA-N 0 3 290.433 -1.015 20 0 CAADHN C[C@@H]1NCCN(S(=O)(=O)C[C@@H]2CNCCO2)[C@H]1C ZINC000631936129 374155768 /nfs/dbraw/zinc/15/57/68/374155768.db2.gz UVACAQYPVAVIEW-DCAQKATOSA-N 0 3 277.390 -1.013 20 0 CAADHN [NH3+]CC[C@H]([N-]S(=O)(=O)C[C@@H]1CNCCO1)C(F)F ZINC000631942929 374156058 /nfs/dbraw/zinc/15/60/58/374156058.db2.gz JCZINRYEJHOSAU-YUMQZZPRSA-N 0 3 287.332 -1.123 20 0 CAADHN COC[C@]1(C[N-]S(=O)(=O)c2nncn2C)CCC[NH2+]1 ZINC000631936475 374156350 /nfs/dbraw/zinc/15/63/50/374156350.db2.gz CTGPTUKPTLUZCS-SNVBAGLBSA-N 0 3 289.361 -1.138 20 0 CAADHN [NH3+]CC[C@@H]([N-]S(=O)(=O)C[C@@H]1CNCCO1)C(F)F ZINC000631942927 374156454 /nfs/dbraw/zinc/15/64/54/374156454.db2.gz JCZINRYEJHOSAU-JGVFFNPUSA-N 0 3 287.332 -1.123 20 0 CAADHN O=S(=O)(C[C@@H]1CNCCO1)NC[C@@H]1C[C@H](F)CN1 ZINC000631938871 374156691 /nfs/dbraw/zinc/15/66/91/374156691.db2.gz OEXVRQHCSDTACL-GUBZILKMSA-N 0 3 281.353 -1.406 20 0 CAADHN [NH3+]CC[C@@H]([N-]S(=O)(=O)C[C@H]1CNCCO1)C(F)F ZINC000631942926 374156970 /nfs/dbraw/zinc/15/69/70/374156970.db2.gz JCZINRYEJHOSAU-HTQZYQBOSA-N 0 3 287.332 -1.123 20 0 CAADHN COC[C@@]1(C[N-]S(=O)(=O)c2nncn2C)CCC[NH2+]1 ZINC000631936474 374157051 /nfs/dbraw/zinc/15/70/51/374157051.db2.gz CTGPTUKPTLUZCS-JTQLQIEISA-N 0 3 289.361 -1.138 20 0 CAADHN Cn1cnnc1S(=O)(=O)[N-]CC12CC(C1)C[NH2+]2 ZINC000631952431 374158479 /nfs/dbraw/zinc/15/84/79/374158479.db2.gz ICDWMIYLUONHRN-UHFFFAOYSA-N 0 3 257.319 -1.155 20 0 CAADHN N[C@@H]1CN(S(=O)(=O)C[C@@H]2CNCCO2)CC[C@H]1F ZINC000631952724 374159060 /nfs/dbraw/zinc/15/90/60/374159060.db2.gz RNLDZCYTJBYIDR-IVZWLZJFSA-N 0 3 281.353 -1.324 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@H]1CN2CCN1CC2 ZINC000632129323 374160259 /nfs/dbraw/zinc/16/02/59/374160259.db2.gz HTWHVJHVVNUPDY-LBPRGKRZSA-N 0 3 290.433 -1.143 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CCCNC1=O ZINC000632071923 374160848 /nfs/dbraw/zinc/16/08/48/374160848.db2.gz PRQWCLSAXURXMH-BXKDBHETSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)CCCS(=O)(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000632058138 374161544 /nfs/dbraw/zinc/16/15/44/374161544.db2.gz AMGPPHQLJGMCNQ-AOOOYVTPSA-N 0 3 266.363 -1.305 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCN(C(=O)CO)CC1 ZINC000632181281 374163784 /nfs/dbraw/zinc/16/37/84/374163784.db2.gz XHCJNDTYERYLCX-UHFFFAOYSA-N 0 3 293.389 -1.596 20 0 CAADHN CNC(=O)[C@H](CO)[N-]S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632213333 374165559 /nfs/dbraw/zinc/16/55/59/374165559.db2.gz PBDMMFZJBLRKBU-JTQLQIEISA-N 0 3 293.389 -1.501 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N[C@@H]2CCN(C3CC3)C2)c1=O ZINC000067863099 374165695 /nfs/dbraw/zinc/16/56/95/374165695.db2.gz WQCBOCBKUIUDFT-SNVBAGLBSA-N 0 3 292.339 -1.100 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@@]1(O)CCN(C)C1 ZINC000632213358 374166048 /nfs/dbraw/zinc/16/60/48/374166048.db2.gz HAVQHQMMMITZSQ-NSHDSACASA-N 0 3 279.406 -1.076 20 0 CAADHN CN(C)CCn1cc(C(=O)N[C@@H]2CN(C)NC2=O)cn1 ZINC000632295042 374166439 /nfs/dbraw/zinc/16/64/39/374166439.db2.gz ZZHOSTXTAOYJOR-SNVBAGLBSA-N 0 3 280.332 -1.480 20 0 CAADHN CN(C)CCCS(=O)(=O)NCC(C)(CO)CO ZINC000632367913 374168487 /nfs/dbraw/zinc/16/84/87/374168487.db2.gz YXKRAFSQEWFEBG-UHFFFAOYSA-N 0 3 268.379 -1.152 20 0 CAADHN CN(C)CCCS(=O)(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC000632439348 374169754 /nfs/dbraw/zinc/16/97/54/374169754.db2.gz VCSWWYLSRCGEAJ-ZJUUUORDSA-N 0 3 266.363 -1.447 20 0 CAADHN CO[C@@H]1CN(S(=O)(=O)CCCN(C)C)C[C@H]1O ZINC000632417330 374170229 /nfs/dbraw/zinc/17/02/29/374170229.db2.gz SBXQWJGOHMBCPU-NXEZZACHSA-N 0 3 266.363 -1.041 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCN(C)C[C@@H]1CO ZINC000632576415 374174412 /nfs/dbraw/zinc/17/44/12/374174412.db2.gz QHVVLZGWHRPBSL-LLVKDONJSA-N 0 3 279.406 -1.124 20 0 CAADHN C[C@H]1CN(C(=O)Cc2ncn[nH]2)CCN1CCO ZINC000632585815 374174590 /nfs/dbraw/zinc/17/45/90/374174590.db2.gz CYGQAGLUCOYSHR-VIFPVBQESA-N 0 3 253.306 -1.128 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCN1CCO ZINC000632585814 374174642 /nfs/dbraw/zinc/17/46/42/374174642.db2.gz CYGQAGLUCOYSHR-SECBINFHSA-N 0 3 253.306 -1.128 20 0 CAADHN CN(C)CCn1cc(C(=O)N[C@H]2CC(=O)N(C)C2=O)cn1 ZINC000632911136 374179200 /nfs/dbraw/zinc/17/92/00/374179200.db2.gz HXWRXIGJOVBMSQ-JTQLQIEISA-N 0 3 293.327 -1.068 20 0 CAADHN CN(C)CCn1cc(C(=O)NC[C@](C)(O)CO)cn1 ZINC000632835793 374179410 /nfs/dbraw/zinc/17/94/10/374179410.db2.gz RVGYEVPIEIQASY-LBPRGKRZSA-N 0 3 270.333 -1.082 20 0 CAADHN CN(C)CC(=O)NCC1(NC(=O)CN(C)C)COC1 ZINC000633916622 374192201 /nfs/dbraw/zinc/19/22/01/374192201.db2.gz SKBNXMHSECXKKY-UHFFFAOYSA-N 0 3 272.349 -1.889 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)N1CCN(C)C[C@H]1CN ZINC000633897250 374192248 /nfs/dbraw/zinc/19/22/48/374192248.db2.gz KPMQGMZTTJYIJY-OUAUKWLOSA-N 0 3 272.349 -1.316 20 0 CAADHN CN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CN(C)C ZINC000634251970 374196894 /nfs/dbraw/zinc/19/68/94/374196894.db2.gz USVBOGCLPSSASO-QWRGUYRKSA-N 0 3 268.361 -1.079 20 0 CAADHN CC(C)[C@H]1CN(C(=O)CNC(=O)CN)CCN1C ZINC000634300797 374199242 /nfs/dbraw/zinc/19/92/42/374199242.db2.gz MAEDVRQRAQYQGB-SNVBAGLBSA-N 0 3 256.350 -1.140 20 0 CAADHN CN(Cc1ncc[nH]1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000633101564 374184978 /nfs/dbraw/zinc/18/49/78/374184978.db2.gz CURHFCUFXBHPQG-JTQLQIEISA-N 0 3 294.359 -1.531 20 0 CAADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C)O)CC1=O ZINC000633105078 374185211 /nfs/dbraw/zinc/18/52/11/374185211.db2.gz KJXIXFLCXABLNF-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H](C)O)CC1=O ZINC000633105063 374185396 /nfs/dbraw/zinc/18/53/96/374185396.db2.gz KJXIXFLCXABLNF-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN COCCN(C)CCN1C[C@H](NC(=O)CO)CC1=O ZINC000633105414 374185843 /nfs/dbraw/zinc/18/58/43/374185843.db2.gz MYOFQDDZZHJYCT-SNVBAGLBSA-N 0 3 273.333 -1.726 20 0 CAADHN CN(C)CCn1cc(C(=O)N2CC(O)(CO)C2)cn1 ZINC000633219604 374188456 /nfs/dbraw/zinc/18/84/56/374188456.db2.gz HPPPPBGHKGVIJQ-UHFFFAOYSA-N 0 3 268.317 -1.376 20 0 CAADHN Cc1nnc2n1C[C@H](C(=O)NCCN[C@@H](C)C(N)=O)CC2 ZINC001152097665 781966237 /nfs/dbraw/zinc/96/62/37/781966237.db2.gz RXECZZXAQDSOEF-WCBMZHEXSA-N 0 3 294.359 -1.271 20 0 CAADHN O=C(CN1CSCC1=O)NC[C@H]1CNCCO1 ZINC000574630620 335035091 /nfs/dbraw/zinc/03/50/91/335035091.db2.gz IMXDLOXLGKVMOM-MRVPVSSYSA-N 0 3 259.331 -1.376 20 0 CAADHN NC(=O)[C@H]1CCCN1CCCNC(=O)COC1CNC1 ZINC000430889794 295152671 /nfs/dbraw/zinc/15/26/71/295152671.db2.gz MPYSIZSFDWELIE-LLVKDONJSA-N 0 3 284.360 -1.569 20 0 CAADHN COC[C@H](NC(=O)C(=O)NC1CNC1)[C@H]1CCCO1 ZINC000574668499 335038331 /nfs/dbraw/zinc/03/83/31/335038331.db2.gz LHJKSLMLXRYDTP-VHSXEESVSA-N 0 3 271.317 -1.615 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193374694 781968458 /nfs/dbraw/zinc/96/84/58/781968458.db2.gz XJMVZJVRAZXTAS-NSHDSACASA-N 0 3 297.359 -1.111 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001193456151 781969717 /nfs/dbraw/zinc/96/97/17/781969717.db2.gz NSGGWTOSPZIEHD-NXEZZACHSA-N 0 3 293.389 -1.505 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001193481903 781970174 /nfs/dbraw/zinc/97/01/74/781970174.db2.gz IKEWOPSDCQSMQP-VXGBXAGGSA-N 0 3 299.371 -1.338 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193465394 781970112 /nfs/dbraw/zinc/97/01/12/781970112.db2.gz RXQWQLDXRRIAJY-NXEZZACHSA-N 0 3 293.389 -1.505 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN([C@H]2COC[C@H]2O)CC1 ZINC000574735231 335043334 /nfs/dbraw/zinc/04/33/34/335043334.db2.gz UFTUVMLLKHGHTP-RWMBFGLXSA-N 0 3 283.372 -1.016 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001193422625 781970676 /nfs/dbraw/zinc/97/06/76/781970676.db2.gz UDHGRYNWARUVPP-IJLUTSLNSA-N 0 3 299.371 -1.338 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)C(C)(C)NC(C)=O ZINC001273659843 781971782 /nfs/dbraw/zinc/97/17/82/781971782.db2.gz AUJSAPAWIRDACO-UHFFFAOYSA-N 0 3 272.349 -1.176 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@H]1O ZINC001193535640 781972364 /nfs/dbraw/zinc/97/23/64/781972364.db2.gz NEWGPMZRJAIROM-OPRDCNLKSA-N 0 3 290.339 -1.175 20 0 CAADHN OC[C@@H]1C[C@@H](O)CN1C[C@H](O)C[C@@]1(O)CCOC1 ZINC001193635081 781974961 /nfs/dbraw/zinc/97/49/61/781974961.db2.gz DNBUOBFSCZQISS-QCNOEVLYSA-N 0 3 261.318 -1.684 20 0 CAADHN COC(=O)NCCNC[C@H](O)CN1CCOCC1 ZINC000308264072 252087853 /nfs/dbraw/zinc/08/78/53/252087853.db2.gz OYHVXLZCOPVEGQ-JTQLQIEISA-N 0 3 261.322 -1.375 20 0 CAADHN CCN1CCCN(C(=O)C(=O)N2CCNCC2)CC1 ZINC000307867285 252087898 /nfs/dbraw/zinc/08/78/98/252087898.db2.gz QRUKQQCOFPBUGJ-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN Cn1cnn(CC(=O)N2CCO[C@@H]3CCN(C)C[C@@H]32)c1=O ZINC000328932094 252094102 /nfs/dbraw/zinc/09/41/02/252094102.db2.gz BLSJYMMOODWXMQ-WDEREUQCSA-N 0 3 295.343 -1.487 20 0 CAADHN COCCN1CN(C(=O)C(C)S(C)(=O)=O)CC1=O ZINC000330434196 252096715 /nfs/dbraw/zinc/09/67/15/252096715.db2.gz LHAOFRCQFWIRBG-QMMMGPOBSA-N 0 3 278.330 -1.306 20 0 CAADHN CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000330498467 252097263 /nfs/dbraw/zinc/09/72/63/252097263.db2.gz BFHHURPTMUMCQE-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000330498466 252097359 /nfs/dbraw/zinc/09/73/59/252097359.db2.gz BFHHURPTMUMCQE-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000330500674 252098395 /nfs/dbraw/zinc/09/83/95/252098395.db2.gz QKWQMWGVUFYARQ-SNVBAGLBSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1COCCN1C ZINC000330553049 252099426 /nfs/dbraw/zinc/09/94/26/252099426.db2.gz FSJGZCNZJYRNQF-ZYHUDNBSSA-N 0 3 259.350 -1.254 20 0 CAADHN COCCN1CCN(C(=O)C(C)S(C)(=O)=O)CC1=O ZINC000330583571 252102129 /nfs/dbraw/zinc/10/21/29/252102129.db2.gz KOFZDECAKGXDOE-VIFPVBQESA-N 0 3 292.357 -1.263 20 0 CAADHN CN(C)CCNC(=O)CNS(=O)(=O)c1cnn(C)c1 ZINC000330646271 252102270 /nfs/dbraw/zinc/10/22/70/252102270.db2.gz ZCEXMWDLNAQMQP-UHFFFAOYSA-N 0 3 289.361 -1.624 20 0 CAADHN CN(C)CCNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000342663135 252126337 /nfs/dbraw/zinc/12/63/37/252126337.db2.gz LQGLWJLJRRDQDS-DTWKUNHWSA-N 0 3 258.322 -1.120 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCCO2)C[C@H]1N(C)C ZINC000342674258 252126355 /nfs/dbraw/zinc/12/63/55/252126355.db2.gz XMRILKXEPNQHMG-IJLUTSLNSA-N 0 3 299.371 -1.074 20 0 CAADHN O=C(Cn1cnnn1)N[C@H](CO)CN1CCCCC1 ZINC000330800489 252107921 /nfs/dbraw/zinc/10/79/21/252107921.db2.gz IUDSPCVMVSJWCG-JTQLQIEISA-N 0 3 268.321 -1.364 20 0 CAADHN CC[C@@H](O)CCNc1nc(NCCO)nc(NC(C)C)n1 ZINC000342642965 252126447 /nfs/dbraw/zinc/12/64/47/252126447.db2.gz ZUJRLSAMBFPRGX-SNVBAGLBSA-N 0 3 298.391 -1.065 20 0 CAADHN CN(C)CCNC(=O)NCCCN1C(=O)CNC1=O ZINC000342686857 252126550 /nfs/dbraw/zinc/12/65/50/252126550.db2.gz QIONELONPSVNKY-UHFFFAOYSA-N 0 3 271.321 -1.211 20 0 CAADHN CN(C)CCNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000342663137 252126613 /nfs/dbraw/zinc/12/66/13/252126613.db2.gz LQGLWJLJRRDQDS-RKDXNWHRSA-N 0 3 258.322 -1.120 20 0 CAADHN CN(C)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2COCCO2)C1 ZINC000342650294 252126710 /nfs/dbraw/zinc/12/67/10/252126710.db2.gz QGXDYIFVMSBRSE-MNOVXSKESA-N 0 3 285.344 -1.320 20 0 CAADHN C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C ZINC000332504467 252119033 /nfs/dbraw/zinc/11/90/33/252119033.db2.gz VCOMLAVHPDUCNX-KOLCDFICSA-N 0 3 295.405 -1.305 20 0 CAADHN C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C ZINC000332504484 252119169 /nfs/dbraw/zinc/11/91/69/252119169.db2.gz VCOMLAVHPDUCNX-ONGXEEELSA-N 0 3 295.405 -1.305 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N(C)CCN(C)C ZINC000332453160 252119786 /nfs/dbraw/zinc/11/97/86/252119786.db2.gz HDBWXBAOTYSAAE-UHFFFAOYSA-N 0 3 266.367 -1.261 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H](C)N(C)C ZINC000340728282 252120624 /nfs/dbraw/zinc/12/06/24/252120624.db2.gz SGGWOBCZNBNAGC-HTQZYQBOSA-N 0 3 251.352 -1.010 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N(C)[C@@H]2CCNC2=O)CC1=O ZINC000340454636 252121820 /nfs/dbraw/zinc/12/18/20/252121820.db2.gz HHVMSSCYDWBXMI-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](C)CCO)n1 ZINC000342417774 252122670 /nfs/dbraw/zinc/12/26/70/252122670.db2.gz VTXCBOZZIADQEL-SNVBAGLBSA-N 0 3 298.391 -1.208 20 0 CAADHN CC[C@@H](CCO)Nc1nc(NCCO)nc(NC(C)C)n1 ZINC000342374071 252123648 /nfs/dbraw/zinc/12/36/48/252123648.db2.gz KDKXALHYHYSZBT-JTQLQIEISA-N 0 3 298.391 -1.065 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000342497550 252124685 /nfs/dbraw/zinc/12/46/85/252124685.db2.gz NVZREFVJABXHNL-JOYOIKCWSA-N 0 3 296.371 -1.162 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2C[C@@H](C)[C@@H](O)C2)n1 ZINC000342549238 252125234 /nfs/dbraw/zinc/12/52/34/252125234.db2.gz RVOZFYQSASRVON-ZJUUUORDSA-N 0 3 296.375 -1.243 20 0 CAADHN CCN(C)CCNC(=O)CN1CCN(CC)C(=O)C1=O ZINC000066949241 252078418 /nfs/dbraw/zinc/07/84/18/252078418.db2.gz IRZHGIKEOYARQT-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN CNCCN(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000070303838 252078943 /nfs/dbraw/zinc/07/89/43/252078943.db2.gz UNQDINKFENMRQK-UHFFFAOYSA-N 0 3 290.345 -2.076 20 0 CAADHN COC[C@H]1CN(C(=O)CNC(=O)[C@@H](N)C(C)C)CCO1 ZINC000263249529 252079852 /nfs/dbraw/zinc/07/98/52/252079852.db2.gz OHUXFQBPDYTATQ-PWSUYJOCSA-N 0 3 287.360 -1.040 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCCN(C)C1=O ZINC000263239694 252080200 /nfs/dbraw/zinc/08/02/00/252080200.db2.gz KTPHNOKMKJOOKC-ONGXEEELSA-N 0 3 284.360 -1.177 20 0 CAADHN COC(=O)Cn1cc(CNC(=O)NCCN(C)C)nn1 ZINC000342668026 252127358 /nfs/dbraw/zinc/12/73/58/252127358.db2.gz PFFWFOFRFVVWTP-UHFFFAOYSA-N 0 3 284.320 -1.188 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](O)[C@@H](C)C2)n1 ZINC000342549233 252125584 /nfs/dbraw/zinc/12/55/84/252125584.db2.gz RVOZFYQSASRVON-UWVGGRQHSA-N 0 3 296.375 -1.243 20 0 CAADHN CS(=O)(=O)NCCCNC(=O)C(N)C(F)(F)F ZINC000353125097 252138974 /nfs/dbraw/zinc/13/89/74/252138974.db2.gz FTRXHVFUMTUPQH-RXMQYKEDSA-N 0 3 277.268 -1.069 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@H](O)CN2CCCCC2)O1 ZINC000356448021 252141366 /nfs/dbraw/zinc/14/13/66/252141366.db2.gz PXPDUDIVDLYODQ-WOPDTQHZSA-N 0 3 299.371 -1.018 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H](O)CN2CCCCC2)O1 ZINC000356448020 252142060 /nfs/dbraw/zinc/14/20/60/252142060.db2.gz PXPDUDIVDLYODQ-SRVKXCTJSA-N 0 3 299.371 -1.018 20 0 CAADHN CN(C)CCNC(=O)NCCS(=O)(=O)N(C)C ZINC000360905032 252170748 /nfs/dbraw/zinc/17/07/48/252170748.db2.gz ZGRVBNQZOJRPOD-UHFFFAOYSA-N 0 3 266.367 -1.261 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N2CCNC(C)(C)C2)C1=O ZINC000357317984 252147103 /nfs/dbraw/zinc/14/71/03/252147103.db2.gz DIHSVNGORRESBR-UHFFFAOYSA-N 0 3 282.300 -1.383 20 0 CAADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H]1COCCN1 ZINC000357169122 252147768 /nfs/dbraw/zinc/14/77/68/252147768.db2.gz CHONZRDDFSLSEC-RYUDHWBXSA-N 0 3 298.387 -1.179 20 0 CAADHN COC[C@]1(CNC(=O)CN2CC(=O)[N-]C2=O)CCC[NH2+]1 ZINC000357295717 252148601 /nfs/dbraw/zinc/14/86/01/252148601.db2.gz WXYWYPQDOOXWTK-GFCCVEGCSA-N 0 3 284.316 -1.577 20 0 CAADHN COC(=O)Cn1cc(S(=O)(=O)N(C)C2CNC2)cn1 ZINC000357489629 252149065 /nfs/dbraw/zinc/14/90/65/252149065.db2.gz WBMCUOFEEFFRBC-UHFFFAOYSA-N 0 3 288.329 -1.352 20 0 CAADHN CCN1CCN(CCNC(=O)CN2CN=NC2=O)CC1 ZINC000357502650 252149150 /nfs/dbraw/zinc/14/91/50/252149150.db2.gz RVTGVBVBPQDXFY-UHFFFAOYSA-N 0 3 282.348 -1.263 20 0 CAADHN CN(C1CNC1)S(=O)(=O)CCCS(C)(=O)=O ZINC000357478569 252149251 /nfs/dbraw/zinc/14/92/51/252149251.db2.gz GJPISKQIBIBAFW-UHFFFAOYSA-N 0 3 270.376 -1.346 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N(C)CCO ZINC000357572710 252149372 /nfs/dbraw/zinc/14/93/72/252149372.db2.gz GJDZDOUJXGCAKM-UHFFFAOYSA-N 0 3 275.349 -1.478 20 0 CAADHN CN(C)CCNC(=O)c1cc(S(N)(=O)=O)cn1C ZINC000357615019 252149601 /nfs/dbraw/zinc/14/96/01/252149601.db2.gz NKQYARMVBOKQTL-UHFFFAOYSA-N 0 3 274.346 -1.036 20 0 CAADHN COCCCN(C)CCNC(=O)CN(C)S(C)(=O)=O ZINC000357329532 252149715 /nfs/dbraw/zinc/14/97/15/252149715.db2.gz CVVLOLPGFTVGNL-UHFFFAOYSA-N 0 3 295.405 -1.038 20 0 CAADHN CCN1CCN(CCNC(=O)CN2CCOCC2=O)CC1 ZINC000357501385 252150377 /nfs/dbraw/zinc/15/03/77/252150377.db2.gz PNUQDCKEVZSXSK-UHFFFAOYSA-N 0 3 298.387 -1.401 20 0 CAADHN COCCCN(C)CCNC(=O)Cn1cnnn1 ZINC000357328360 252150388 /nfs/dbraw/zinc/15/03/88/252150388.db2.gz JKEHTGFWCKEXRO-UHFFFAOYSA-N 0 3 256.310 -1.242 20 0 CAADHN COC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000357711727 252152041 /nfs/dbraw/zinc/15/20/41/252152041.db2.gz VDWRVSMGCAOOJK-WDEREUQCSA-N 0 3 287.360 -1.480 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCC(=O)N(C)C)CC1=O ZINC000357828071 252152330 /nfs/dbraw/zinc/15/23/30/252152330.db2.gz NJJVAIMKNYGXST-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN COc1ncc(NC(=O)[C@H]2C[C@@H](O)CN2)cc1C(N)=O ZINC000357933926 252153198 /nfs/dbraw/zinc/15/31/98/252153198.db2.gz ZCFKSMVUHAQMNZ-VXNVDRBHSA-N 0 3 280.284 -1.150 20 0 CAADHN COc1ncc(NC(=O)[C@@H]2C[C@H](O)CN2)cc1C(N)=O ZINC000357933922 252153454 /nfs/dbraw/zinc/15/34/54/252153454.db2.gz ZCFKSMVUHAQMNZ-CBAPKCEASA-N 0 3 280.284 -1.150 20 0 CAADHN Cn1cc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3)CC2=O)cn1 ZINC000357901298 252153914 /nfs/dbraw/zinc/15/39/14/252153914.db2.gz DCXYBRWQOWSAPS-MNOVXSKESA-N 0 3 293.327 -1.682 20 0 CAADHN CC(C)N1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2)C1=O ZINC000357931361 252153922 /nfs/dbraw/zinc/15/39/22/252153922.db2.gz OYBSPUHAKYLJLW-UTLUCORTSA-N 0 3 255.318 -1.165 20 0 CAADHN CC(C)N1CC[C@H](NC(=O)[C@H]2C[C@H](O)CN2)C1=O ZINC000357931358 252153956 /nfs/dbraw/zinc/15/39/56/252153956.db2.gz OYBSPUHAKYLJLW-LPEHRKFASA-N 0 3 255.318 -1.165 20 0 CAADHN C[C@H](CN(C)C)NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000358521409 252154898 /nfs/dbraw/zinc/15/48/98/252154898.db2.gz OXHZECRJMGAFRV-RKDXNWHRSA-N 0 3 258.322 -1.168 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358059294 252154999 /nfs/dbraw/zinc/15/49/99/252154999.db2.gz DCRPFSCYXSUDEH-YPMHNXCESA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC000358041128 252155315 /nfs/dbraw/zinc/15/53/15/252155315.db2.gz FPIVKBJUJRXNED-GFCCVEGCSA-N 0 3 255.318 -1.208 20 0 CAADHN CN1CC[C@](O)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000358054696 252155414 /nfs/dbraw/zinc/15/54/14/252155414.db2.gz KWRXPJCZCBXUNI-ZDUSSCGKSA-N 0 3 296.327 -2.270 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000358067201 252156062 /nfs/dbraw/zinc/15/60/62/252156062.db2.gz PEQVZKZPPHVCHF-ZDUSSCGKSA-N 0 3 298.343 -1.500 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2nccnc2N)C1 ZINC000358061434 252156198 /nfs/dbraw/zinc/15/61/98/252156198.db2.gz GHNMRSRYNIOPPJ-LLVKDONJSA-N 0 3 251.290 -1.145 20 0 CAADHN C[C@H](C(=O)NC[C@@]1(O)CCN(C)C1)N1CCOCC1 ZINC000358039572 252156217 /nfs/dbraw/zinc/15/62/17/252156217.db2.gz CPNYPHMIYJRRSV-YPMHNXCESA-N 0 3 271.361 -1.110 20 0 CAADHN COCCN1C[C@H](C(=O)NC[C@]2(O)CCN(C)C2)CC1=O ZINC000358082896 252156234 /nfs/dbraw/zinc/15/62/34/252156234.db2.gz VATVDTBZOHFPQN-BXUZGUMPSA-N 0 3 299.371 -1.336 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CN2CCCS2(=O)=O)C1 ZINC000358043315 252156421 /nfs/dbraw/zinc/15/64/21/252156421.db2.gz HKCMLAVGLAWHOZ-NSHDSACASA-N 0 3 291.373 -1.795 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358059269 252156507 /nfs/dbraw/zinc/15/65/07/252156507.db2.gz DCRPFSCYXSUDEH-AAEUAGOBSA-N 0 3 271.361 -1.110 20 0 CAADHN CC(C)N(C)CC(=O)NCCN1CCNC(=O)C1 ZINC000358537197 252157606 /nfs/dbraw/zinc/15/76/06/252157606.db2.gz SLHNIADYDCQTBJ-UHFFFAOYSA-N 0 3 256.350 -1.125 20 0 CAADHN CCCN(C)CC(=O)NCCN1CCNC(=O)C1 ZINC000358539347 252157794 /nfs/dbraw/zinc/15/77/94/252157794.db2.gz WVZICDDGEDJHGW-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN CN(C)CCN1C(=O)C[C@@H](N2CCC[C@H](C(N)=O)C2)C1=O ZINC000359204724 252158721 /nfs/dbraw/zinc/15/87/21/252158721.db2.gz JGXHQRUKQGBFPN-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C)CCN1C(=O)C[C@H](N2CCC[C@H](C(N)=O)C2)C1=O ZINC000359204721 252159754 /nfs/dbraw/zinc/15/97/54/252159754.db2.gz JGXHQRUKQGBFPN-QWRGUYRKSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C)CCn1nccc1NC(=O)Cn1ncn(C)c1=O ZINC000359509150 252160652 /nfs/dbraw/zinc/16/06/52/252160652.db2.gz YFVQZMGAJWCAKZ-UHFFFAOYSA-N 0 3 293.331 -1.021 20 0 CAADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N1CCNC(=O)C1 ZINC000359280143 252161246 /nfs/dbraw/zinc/16/12/46/252161246.db2.gz WKMYXGAGVVHVFX-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN COC[C@@H](CO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000359668848 252162528 /nfs/dbraw/zinc/16/25/28/252162528.db2.gz WWOUOLYEYFSIHN-GHMZBOCLSA-N 0 3 257.334 -1.500 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CN1CN=NC1=O ZINC000359793314 252162558 /nfs/dbraw/zinc/16/25/58/252162558.db2.gz LVJLUZMPYCEYSU-JTQLQIEISA-N 0 3 257.294 -1.588 20 0 CAADHN COC[C@@H](CO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000359668849 252163423 /nfs/dbraw/zinc/16/34/23/252163423.db2.gz WWOUOLYEYFSIHN-MNOVXSKESA-N 0 3 257.334 -1.500 20 0 CAADHN COC(=O)CNC(=O)CCN(C)[C@]1(CO)CCOC1 ZINC000359571169 252163480 /nfs/dbraw/zinc/16/34/80/252163480.db2.gz KCVJVVHOHJWCPO-LBPRGKRZSA-N 0 3 274.317 -1.251 20 0 CAADHN CNC(=O)CCN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000360125577 252164523 /nfs/dbraw/zinc/16/45/23/252164523.db2.gz PQMOWUJFDJDFEN-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN CNC(=O)CCN(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000360125578 252165242 /nfs/dbraw/zinc/16/52/42/252165242.db2.gz PQMOWUJFDJDFEN-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN C[C@H](CO)N(C)C(=O)C(=O)NCCOCCN(C)C ZINC000360280268 252167243 /nfs/dbraw/zinc/16/72/43/252167243.db2.gz UZPNUJLUDOPCEM-SNVBAGLBSA-N 0 3 275.349 -1.480 20 0 CAADHN C[C@H](CC(N)=O)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000361051053 252170127 /nfs/dbraw/zinc/17/01/27/252170127.db2.gz CISVPVLOOIQVSV-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](CC(N)=O)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000361051052 252170276 /nfs/dbraw/zinc/17/02/76/252170276.db2.gz CISVPVLOOIQVSV-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN O=C(CO)NCCN(CCN1CCCCC1)C(=O)CO ZINC000342942114 252128335 /nfs/dbraw/zinc/12/83/35/252128335.db2.gz BBUHGTGNUAPAJF-UHFFFAOYSA-N 0 3 287.360 -1.598 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)NCCn1cccn1 ZINC000342901646 252128776 /nfs/dbraw/zinc/12/87/76/252128776.db2.gz RHVHZGOQPRDDJH-UHFFFAOYSA-N 0 3 297.359 -1.306 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CNC(=O)C2)n1 ZINC000342935932 252128869 /nfs/dbraw/zinc/12/88/69/252128869.db2.gz CGSWZBUBIBBBLA-MRVPVSSYSA-N 0 3 295.347 -2.338 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CC[C@H](NC(N)=O)C1 ZINC000342876116 252129219 /nfs/dbraw/zinc/12/92/19/252129219.db2.gz ONIVTCGUNIYTPC-VIFPVBQESA-N 0 3 286.332 -1.250 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@](C)(O)C2)n1 ZINC000342827373 252129254 /nfs/dbraw/zinc/12/92/54/252129254.db2.gz YUJZFRRUENQVAV-ZDUSSCGKSA-N 0 3 296.375 -1.099 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCOC2)n1 ZINC000342779580 252129557 /nfs/dbraw/zinc/12/95/57/252129557.db2.gz KVFDRWPOHLYUIR-VIFPVBQESA-N 0 3 282.348 -1.437 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)C[C@@H](C)O)n1 ZINC000342830731 252129900 /nfs/dbraw/zinc/12/99/00/252129900.db2.gz KKSNDRKGXRGLRZ-VHSXEESVSA-N 0 3 298.391 -1.067 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)C[C@H](C)O)n1 ZINC000342830732 252130056 /nfs/dbraw/zinc/13/00/56/252130056.db2.gz KKSNDRKGXRGLRZ-ZJUUUORDSA-N 0 3 298.391 -1.067 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000343325654 252130831 /nfs/dbraw/zinc/13/08/31/252130831.db2.gz YRAOHGQJIQGOIX-GHMZBOCLSA-N 0 3 266.345 -1.277 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCNC(=O)C1)C1CC1 ZINC000343284792 252131037 /nfs/dbraw/zinc/13/10/37/252131037.db2.gz HTTVRQSJJAOVDT-UHFFFAOYSA-N 0 3 268.317 -1.845 20 0 CAADHN CN(CCNC(=O)C(=O)N1CC(CO)C1)C1CC1 ZINC000343315633 252131067 /nfs/dbraw/zinc/13/10/67/252131067.db2.gz XYXLRPXBEXHVRB-UHFFFAOYSA-N 0 3 255.318 -1.353 20 0 CAADHN CN(CCNC(=O)C(=O)N1CC[C@](C)(C(N)=O)C1)C1CC1 ZINC000343307504 252131234 /nfs/dbraw/zinc/13/12/34/252131234.db2.gz TXLLRISGCCOSSC-AWEZNQCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(CCNC(=O)C(=O)NCCCn1ccnn1)C1CC1 ZINC000343294735 252131446 /nfs/dbraw/zinc/13/14/46/252131446.db2.gz JNSLUNRFSGSDCY-UHFFFAOYSA-N 0 3 294.359 -1.005 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCO[C@H](C(N)=O)C1)C1CC1 ZINC000343294106 252131518 /nfs/dbraw/zinc/13/15/18/252131518.db2.gz IWTLXCJFWOOPEK-JTQLQIEISA-N 0 3 298.343 -2.091 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCn2ncnc2C1)C1CC1 ZINC000343307637 252131850 /nfs/dbraw/zinc/13/18/50/252131850.db2.gz YYAZUQAKFGNQND-UHFFFAOYSA-N 0 3 292.343 -1.169 20 0 CAADHN CN(CCNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1)C1CC1 ZINC000343303943 252132343 /nfs/dbraw/zinc/13/23/43/252132343.db2.gz QSSSTXMCPNQZKN-JTQLQIEISA-N 0 3 296.371 -1.066 20 0 CAADHN CN1CCC[C@@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000361013768 252170366 /nfs/dbraw/zinc/17/03/66/252170366.db2.gz VLQODHKTCLCSQD-GFCCVEGCSA-N 0 3 293.375 -1.089 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCO1 ZINC000343274197 252132937 /nfs/dbraw/zinc/13/29/37/252132937.db2.gz KBUHHBYUCGUDMB-NEPJUHHUSA-N 0 3 297.355 -1.223 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000345006796 252133822 /nfs/dbraw/zinc/13/38/22/252133822.db2.gz LKABFOOFQBEWIY-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CC(N)=O)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000361051046 252170441 /nfs/dbraw/zinc/17/04/41/252170441.db2.gz CISVPVLOOIQVSV-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000346057671 252135013 /nfs/dbraw/zinc/13/50/13/252135013.db2.gz VIENBFMCJXCXPL-UHFFFAOYSA-N 0 3 268.317 -1.845 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000343325660 252135085 /nfs/dbraw/zinc/13/50/85/252135085.db2.gz YRAOHGQJIQGOIX-QWRGUYRKSA-N 0 3 266.345 -1.277 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)CCOC1CNC1 ZINC000348995542 252135976 /nfs/dbraw/zinc/13/59/76/252135976.db2.gz VMFMTRPJCUHAPG-UHFFFAOYSA-N 0 3 287.360 -1.072 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C3CC3)C2)C1=O ZINC000353709826 252137550 /nfs/dbraw/zinc/13/75/50/252137550.db2.gz LWOKGDPHKWMFRL-MRVPVSSYSA-N 0 3 294.311 -1.240 20 0 CAADHN CO[C@@H](CN)C(=O)NCCS(=O)(=O)NC(C)C ZINC000353124651 252137588 /nfs/dbraw/zinc/13/75/88/252137588.db2.gz FJIGXDAVGQMCOP-QMMMGPOBSA-N 0 3 267.351 -1.596 20 0 CAADHN CCOC[C@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000352882646 252137732 /nfs/dbraw/zinc/13/77/32/252137732.db2.gz MIQZDEFBWJTCNG-WDEREUQCSA-N 0 3 295.405 -1.111 20 0 CAADHN CCOC[C@@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000352882643 252137764 /nfs/dbraw/zinc/13/77/64/252137764.db2.gz MIQZDEFBWJTCNG-QWRGUYRKSA-N 0 3 295.405 -1.111 20 0 CAADHN CCOC[C@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000352882639 252138185 /nfs/dbraw/zinc/13/81/85/252138185.db2.gz MIQZDEFBWJTCNG-GHMZBOCLSA-N 0 3 295.405 -1.111 20 0 CAADHN CCOC[C@@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000352882641 252138478 /nfs/dbraw/zinc/13/84/78/252138478.db2.gz MIQZDEFBWJTCNG-MNOVXSKESA-N 0 3 295.405 -1.111 20 0 CAADHN O=C(CNC(=O)[C@@H]1CN2CCN1CCC2)NC1CC1 ZINC000363150987 252179967 /nfs/dbraw/zinc/17/99/67/252179967.db2.gz ZEQANZHZUAGKKM-NSHDSACASA-N 0 3 266.345 -1.229 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363394619 252180134 /nfs/dbraw/zinc/18/01/34/252180134.db2.gz CYYJLOLAJGTBES-UWVGGRQHSA-N 0 3 296.327 -1.482 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363394618 252180203 /nfs/dbraw/zinc/18/02/03/252180203.db2.gz CYYJLOLAJGTBES-NXEZZACHSA-N 0 3 296.327 -1.482 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCNC(=O)C1 ZINC000362974674 252180536 /nfs/dbraw/zinc/18/05/36/252180536.db2.gz YTXORFVNANZPCP-WDEREUQCSA-N 0 3 282.344 -1.009 20 0 CAADHN CC(=O)N1CCN(C(=O)CN2CC[C@](C)(C(N)=O)C2)CC1 ZINC000361566400 252173683 /nfs/dbraw/zinc/17/36/83/252173683.db2.gz QEBWSMRSHQZMDD-AWEZNQCLSA-N 0 3 296.371 -1.126 20 0 CAADHN C[C@@]1(C(N)=O)CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000361566678 252173923 /nfs/dbraw/zinc/17/39/23/252173923.db2.gz SCRNZUJRVSIXFX-IINYFYTJSA-N 0 3 296.371 -1.092 20 0 CAADHN CCN(C)C(=O)CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000361690612 252174078 /nfs/dbraw/zinc/17/40/78/252174078.db2.gz ZQWUKCYDXVWIIM-LBPRGKRZSA-N 0 3 272.349 -1.170 20 0 CAADHN CC(=O)N1CCN(C(=O)CN2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000361566408 252174525 /nfs/dbraw/zinc/17/45/25/252174525.db2.gz QEBWSMRSHQZMDD-CQSZACIVSA-N 0 3 296.371 -1.126 20 0 CAADHN CN1CCN(C(=O)CN2CC[C@](C)(C(N)=O)C2)CC1 ZINC000361560679 252174884 /nfs/dbraw/zinc/17/48/84/252174884.db2.gz ASWPDPOCKATYFU-ZDUSSCGKSA-N 0 3 268.361 -1.042 20 0 CAADHN COC[C@](C)(CNC(=O)CN(C)C)NC(=O)CN(C)C ZINC000362128710 252176125 /nfs/dbraw/zinc/17/61/25/252176125.db2.gz HIXWJZAXSBXXES-ZDUSSCGKSA-N 0 3 288.392 -1.253 20 0 CAADHN COC(=O)C[C@@]1(NCCN2C(=O)CNC2=O)CCOC1 ZINC000362263606 252176788 /nfs/dbraw/zinc/17/67/88/252176788.db2.gz VJLIIULZZVYVRM-LBPRGKRZSA-N 0 3 285.300 -1.150 20 0 CAADHN NC(=O)NC(=O)CCN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362826627 252177781 /nfs/dbraw/zinc/17/77/81/252177781.db2.gz PAZYXUKFSFGNBA-SNVBAGLBSA-N 0 3 297.359 -1.532 20 0 CAADHN COCCN1CN(C(=O)[C@H]2CN3CCN2CCC3)CC1=O ZINC000374636262 252199382 /nfs/dbraw/zinc/19/93/82/252199382.db2.gz LQZBZORDXIWJAO-GFCCVEGCSA-N 0 3 296.371 -1.349 20 0 CAADHN O=C(CNC(=O)[C@@H]1CN2CCN1CCC2)NCC(F)F ZINC000370527822 252190257 /nfs/dbraw/zinc/19/02/57/252190257.db2.gz QLYJVRASJGWKEA-VIFPVBQESA-N 0 3 290.314 -1.126 20 0 CAADHN CS(=O)(=O)NCCNC(=O)[C@]1(F)CCNC1 ZINC000370800366 252191220 /nfs/dbraw/zinc/19/12/20/252191220.db2.gz MPVABGMOZMFJDL-QMMMGPOBSA-N 0 3 253.299 -1.647 20 0 CAADHN CS(=O)(=O)NCCNC(=O)[C@@]1(F)CCNC1 ZINC000370800365 252191534 /nfs/dbraw/zinc/19/15/34/252191534.db2.gz MPVABGMOZMFJDL-MRVPVSSYSA-N 0 3 253.299 -1.647 20 0 CAADHN Cn1cnn(CC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1=O ZINC000371498989 252191601 /nfs/dbraw/zinc/19/16/01/252191601.db2.gz AMABHENDLLXDEN-WDEREUQCSA-N 0 3 295.343 -1.439 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC000370680854 252191780 /nfs/dbraw/zinc/19/17/80/252191780.db2.gz BBMOPCBMISVYAH-JTQLQIEISA-N 0 3 297.359 -1.580 20 0 CAADHN COCCN(C)CCNC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000371522060 252192094 /nfs/dbraw/zinc/19/20/94/252192094.db2.gz OLRINLBKZDVUHM-SNVBAGLBSA-N 0 3 288.348 -1.540 20 0 CAADHN Cn1cnn(CC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1=O ZINC000371498986 252192479 /nfs/dbraw/zinc/19/24/79/252192479.db2.gz AMABHENDLLXDEN-GHMZBOCLSA-N 0 3 295.343 -1.439 20 0 CAADHN CN1CC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1=O ZINC000372328900 252193179 /nfs/dbraw/zinc/19/31/79/252193179.db2.gz ASMMHZKXRDGHHM-QWRGUYRKSA-N 0 3 266.345 -1.277 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1=O ZINC000372335059 252193310 /nfs/dbraw/zinc/19/33/10/252193310.db2.gz YXFDUOMYJGBGGE-NSHDSACASA-N 0 3 266.345 -1.323 20 0 CAADHN CN1CC[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1=O ZINC000372328899 252193974 /nfs/dbraw/zinc/19/39/74/252193974.db2.gz ASMMHZKXRDGHHM-MNOVXSKESA-N 0 3 266.345 -1.277 20 0 CAADHN O=C(N[C@H]1CCCNC1=O)[C@H]1CN2CCN1CCC2 ZINC000372344222 252194321 /nfs/dbraw/zinc/19/43/21/252194321.db2.gz BIZYDKXKRPCACS-WDEREUQCSA-N 0 3 266.345 -1.229 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)C(=O)N(C)C ZINC000373815354 252197415 /nfs/dbraw/zinc/19/74/15/252197415.db2.gz NPYIPVJABFFLJL-QWRGUYRKSA-N 0 3 268.361 -1.031 20 0 CAADHN COC(=O)CNC(=O)CCN1CCN2CCOC[C@@H]2C1 ZINC000375239566 252201325 /nfs/dbraw/zinc/20/13/25/252201325.db2.gz FYVTUQAAFCXEDP-NSHDSACASA-N 0 3 285.344 -1.318 20 0 CAADHN CS(=O)(=O)NCCCNC(=O)[C@@]1(F)CCNC1 ZINC000376528033 252202970 /nfs/dbraw/zinc/20/29/70/252202970.db2.gz MGNCJCQHSVTUNT-SECBINFHSA-N 0 3 267.326 -1.257 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1COCCN1C(C)=O ZINC000376881498 252203029 /nfs/dbraw/zinc/20/30/29/252203029.db2.gz DEBDDGOVIRQYBD-LBPRGKRZSA-N 0 3 287.360 -1.336 20 0 CAADHN CCN(C)C(=O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000376939526 252203109 /nfs/dbraw/zinc/20/31/09/252203109.db2.gz NNZSDZCKEZKOFO-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CN(CCC(N)=O)C(=O)[C@H]1CN2CCN1CCC2 ZINC000376196682 252204435 /nfs/dbraw/zinc/20/44/35/252204435.db2.gz HJUXBMQUQDOSGX-SNVBAGLBSA-N 0 3 254.334 -1.290 20 0 CAADHN CN(C)C(=O)NCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000376876872 252204473 /nfs/dbraw/zinc/20/44/73/252204473.db2.gz OQWAPTUMHHBYMM-NSHDSACASA-N 0 3 283.376 -1.236 20 0 CAADHN O=C(NCCCOCCO)[C@H]1CN2CCN1CCC2 ZINC000376847310 252204552 /nfs/dbraw/zinc/20/45/52/252204552.db2.gz VYXVNCOXCOUECJ-GFCCVEGCSA-N 0 3 271.361 -1.109 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000377468624 252206600 /nfs/dbraw/zinc/20/66/00/252206600.db2.gz CHCZDALSUSPOKH-ZJUUUORDSA-N 0 3 266.305 -1.348 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2nnnn2C)CC1 ZINC000378180890 252208246 /nfs/dbraw/zinc/20/82/46/252208246.db2.gz ALFNQUXGNCIUQX-NSHDSACASA-N 0 3 293.375 -1.052 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000407999333 252213055 /nfs/dbraw/zinc/21/30/55/252213055.db2.gz VQEZROMSVFNXEC-ZJUUUORDSA-N 0 3 292.405 -1.019 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCN2CCC1CC2 ZINC000407994864 252211199 /nfs/dbraw/zinc/21/11/99/252211199.db2.gz DXMSAJJIWUDKHZ-UHFFFAOYSA-N 0 3 276.362 -1.653 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000408122695 252223620 /nfs/dbraw/zinc/22/36/20/252223620.db2.gz YZYYXBGNGFQCFG-VIFPVBQESA-N 0 3 292.405 -1.032 20 0 CAADHN COCCN1CCN(C(=O)CNC(=O)CN)C[C@H]1C ZINC000125229997 532950144 /nfs/dbraw/zinc/95/01/44/532950144.db2.gz ORDRMSLYCFRMIC-SNVBAGLBSA-N 0 3 272.349 -1.760 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNC(N)=O)CC1 ZINC000408115370 252223933 /nfs/dbraw/zinc/22/39/33/252223933.db2.gz JNBPRNCNTXHUNP-JTQLQIEISA-N 0 3 297.359 -1.580 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCO1 ZINC000408174621 252225628 /nfs/dbraw/zinc/22/56/28/252225628.db2.gz SXFLGKCLSRHUHV-VXGBXAGGSA-N 0 3 296.371 -1.650 20 0 CAADHN CC(C(=O)N1CCN2CCOC[C@@H]2C1)S(C)(=O)=O ZINC000408199615 252226454 /nfs/dbraw/zinc/22/64/54/252226454.db2.gz USWRACMVGLPLHH-ZJUUUORDSA-N 0 3 276.358 -1.038 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCO1 ZINC000408029717 252214716 /nfs/dbraw/zinc/21/47/16/252214716.db2.gz IRNFFBSZYSGYDJ-GHMZBOCLSA-N 0 3 282.344 -1.911 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1 ZINC000408029721 252214971 /nfs/dbraw/zinc/21/49/71/252214971.db2.gz IRNFFBSZYSGYDJ-WDEREUQCSA-N 0 3 282.344 -1.911 20 0 CAADHN O=C(NCCn1ncnn1)[C@H]1CN2CCN1CCC2 ZINC000408033125 252215158 /nfs/dbraw/zinc/21/51/58/252215158.db2.gz HYMIQWXWSZKHLQ-SNVBAGLBSA-N 0 3 265.321 -1.821 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCO1 ZINC000408029718 252215291 /nfs/dbraw/zinc/21/52/91/252215291.db2.gz IRNFFBSZYSGYDJ-MNOVXSKESA-N 0 3 282.344 -1.911 20 0 CAADHN CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000408014627 252215705 /nfs/dbraw/zinc/21/57/05/252215705.db2.gz YBEGVICDTBHXGV-UHFFFAOYSA-N 0 3 282.344 -1.501 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CCN2C(=O)NC[C@H]2C1 ZINC000408035706 252216220 /nfs/dbraw/zinc/21/62/20/252216220.db2.gz ZGNFIDOQWZJLGJ-NWDGAFQWSA-N 0 3 293.371 -1.388 20 0 CAADHN O=C(NC[C@]1(O)CCOC1)[C@H]1CN2CCN1CCC2 ZINC000408039635 252216668 /nfs/dbraw/zinc/21/66/68/252216668.db2.gz WRJFAWFHIWXJHV-DGCLKSJQSA-N 0 3 269.345 -1.356 20 0 CAADHN CC(C(=O)N1CCN(C(=O)[C@@H](C)O)CC1)S(C)(=O)=O ZINC000408046641 252218198 /nfs/dbraw/zinc/21/81/98/252218198.db2.gz XPQDLVQDXJSYTR-BDAKNGLRSA-N 0 3 292.357 -1.529 20 0 CAADHN CC(C(=O)N1CCN(C(=O)[C@H](C)O)CC1)S(C)(=O)=O ZINC000408046645 252218980 /nfs/dbraw/zinc/21/89/80/252218980.db2.gz XPQDLVQDXJSYTR-IUCAKERBSA-N 0 3 292.357 -1.529 20 0 CAADHN CC(C(=O)N1CCN(C[C@H](C)O)CC1)S(C)(=O)=O ZINC000408376627 252238465 /nfs/dbraw/zinc/23/84/65/252238465.db2.gz SXGUIMUTWIAFJK-VHSXEESVSA-N 0 3 278.374 -1.056 20 0 CAADHN CC(C(=O)N1CCN(C[C@@H](C)O)CC1)S(C)(=O)=O ZINC000408439626 252240712 /nfs/dbraw/zinc/24/07/12/252240712.db2.gz SXGUIMUTWIAFJK-NXEZZACHSA-N 0 3 278.374 -1.056 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC(=O)N1 ZINC000410464567 252242809 /nfs/dbraw/zinc/24/28/09/252242809.db2.gz DRQXWGSVNLLBRX-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN CNC(=O)NC(=O)CCN1CCN2CCOC[C@H]2C1 ZINC000408205209 252229049 /nfs/dbraw/zinc/22/90/49/252229049.db2.gz PQFQQFPZPRRPEW-SNVBAGLBSA-N 0 3 270.333 -1.152 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@@H](CO)O1 ZINC000408280048 252233034 /nfs/dbraw/zinc/23/30/34/252233034.db2.gz MQNNLQWSCHUEDW-AGIUHOORSA-N 0 3 283.372 -1.016 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)C[C@H](CO)O1 ZINC000408280051 252233459 /nfs/dbraw/zinc/23/34/59/252233459.db2.gz MQNNLQWSCHUEDW-JHJVBQTASA-N 0 3 283.372 -1.016 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CC(N)=O)CC1 ZINC000408350680 252234817 /nfs/dbraw/zinc/23/48/17/252234817.db2.gz UQCKJWZDJZDYML-JTQLQIEISA-N 0 3 282.344 -1.373 20 0 CAADHN C[C@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CC(=O)N1 ZINC000408467668 252242646 /nfs/dbraw/zinc/24/26/46/252242646.db2.gz OYBRMQHFDHGBGQ-WDEREUQCSA-N 0 3 266.345 -1.277 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000410455767 252242900 /nfs/dbraw/zinc/24/29/00/252242900.db2.gz WOROYCHNIUFUSJ-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN CC(C)NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000516088410 252253896 /nfs/dbraw/zinc/25/38/96/252253896.db2.gz FNPPVZNJMIPDGG-UWVGGRQHSA-N 0 3 254.334 -1.245 20 0 CAADHN CC(C)CN1CCN(C(=O)C(=O)NC2CNC2)[C@@H](C)C1=O ZINC000515621788 252254003 /nfs/dbraw/zinc/25/40/03/252254003.db2.gz AXAZNZQQICGJNK-JTQLQIEISA-N 0 3 296.371 -1.210 20 0 CAADHN CC[C@]1(CO)CCCN1C(=O)C(=O)NC1CNC1 ZINC000516168542 252254085 /nfs/dbraw/zinc/25/40/85/252254085.db2.gz XLFPONWFVRXCOF-GFCCVEGCSA-N 0 3 255.318 -1.162 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000516310193 252254141 /nfs/dbraw/zinc/25/41/41/252254141.db2.gz FWLZDDSIYTZCGS-SNVBAGLBSA-N 0 3 290.389 -1.324 20 0 CAADHN CC(C)NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000516088413 252254166 /nfs/dbraw/zinc/25/41/66/252254166.db2.gz FNPPVZNJMIPDGG-ZJUUUORDSA-N 0 3 254.334 -1.245 20 0 CAADHN NCCNC(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000515650256 252254268 /nfs/dbraw/zinc/25/42/68/252254268.db2.gz OYNMZEJRIOYFLQ-VIFPVBQESA-N 0 3 278.316 -1.436 20 0 CAADHN CN(C)C(=O)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000515622062 252254769 /nfs/dbraw/zinc/25/47/69/252254769.db2.gz PXKHIELOBVIWMM-UHFFFAOYSA-N 0 3 283.332 -2.100 20 0 CAADHN CC[C@@H](N)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000515843308 252254806 /nfs/dbraw/zinc/25/48/06/252254806.db2.gz ZUQPHDCTFNRDNM-SNVBAGLBSA-N 0 3 290.389 -1.831 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC(=O)N1 ZINC000410464568 252243067 /nfs/dbraw/zinc/24/30/67/252243067.db2.gz DRQXWGSVNLLBRX-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000410455765 252243382 /nfs/dbraw/zinc/24/33/82/252243382.db2.gz WOROYCHNIUFUSJ-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN CC(C)N(CCN(C)C)C(=O)C(=O)N1CCNC(=O)C1 ZINC000410883786 252243880 /nfs/dbraw/zinc/24/38/80/252243880.db2.gz ITUSEGCZLKGZJP-UHFFFAOYSA-N 0 3 284.360 -1.257 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCOCC1 ZINC000410503367 252244389 /nfs/dbraw/zinc/24/43/89/252244389.db2.gz NCOFHKGLEDFXQK-UHFFFAOYSA-N 0 3 287.360 -1.118 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)N(C)CCCO ZINC000410503113 252244787 /nfs/dbraw/zinc/24/47/87/252244787.db2.gz LQQAFFIGEUVTIJ-UHFFFAOYSA-N 0 3 289.376 -1.136 20 0 CAADHN CCCN(C)CC(=O)N1CCN(S(=O)(=O)NC)CC1 ZINC000412321982 252245779 /nfs/dbraw/zinc/24/57/79/252245779.db2.gz QYJHWTRPCKCBBK-UHFFFAOYSA-N 0 3 292.405 -1.063 20 0 CAADHN CCO[C@H]1C[C@@H](NC(=O)C(=O)N(CCN)CCO)C1 ZINC000418972130 252247510 /nfs/dbraw/zinc/24/75/10/252247510.db2.gz BVMGFSMHDPOAKX-AOOOYVTPSA-N 0 3 273.333 -1.550 20 0 CAADHN O=C(CN[C@@H](CO)[C@H]1CCCO1)N1CCOCC1 ZINC000447909859 252248897 /nfs/dbraw/zinc/24/88/97/252248897.db2.gz DULQDEUBUYJRLW-WDEREUQCSA-N 0 3 258.318 -1.025 20 0 CAADHN COC(=O)CNC(=O)CCN[C@H](CO)[C@H]1CCCO1 ZINC000447912331 252249156 /nfs/dbraw/zinc/24/91/56/252249156.db2.gz GHMAOWVEXPJCLD-NXEZZACHSA-N 0 3 274.317 -1.205 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H](O)C2CCOCC2)C[C@@H]1O ZINC000514796809 252250408 /nfs/dbraw/zinc/25/04/08/252250408.db2.gz MYBNSTVMFBHMKM-SDDRHHMPSA-N 0 3 272.345 -1.093 20 0 CAADHN COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H](C)N ZINC000514857210 252250460 /nfs/dbraw/zinc/25/04/60/252250460.db2.gz DRZMSVMVAWKCEJ-SNVBAGLBSA-N 0 3 273.333 -1.333 20 0 CAADHN COC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C1CC1 ZINC000514925719 252251917 /nfs/dbraw/zinc/25/19/17/252251917.db2.gz KVRCWHFIAKPMKA-NWDGAFQWSA-N 0 3 298.387 -1.371 20 0 CAADHN Cn1ccc(=O)n(CCCNC(=O)[C@@H]2C[C@@H]2N)c1=O ZINC000515057990 252251970 /nfs/dbraw/zinc/25/19/70/252251970.db2.gz CTXXFOMKDDGBLB-BDAKNGLRSA-N 0 3 266.301 -1.600 20 0 CAADHN CC[C@H](CNS(C)(=O)=O)NC[C@H](O)COC ZINC000515055399 252252264 /nfs/dbraw/zinc/25/22/64/252252264.db2.gz SRVFGANWFWQTPA-BDAKNGLRSA-N 0 3 254.352 -1.089 20 0 CAADHN CCCN[C@@H](C)C(=O)NCC(=O)N1CCNCC1 ZINC000515059219 252252277 /nfs/dbraw/zinc/25/22/77/252252277.db2.gz PEDMMFBWJWRHEK-JTQLQIEISA-N 0 3 256.350 -1.078 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)NC2CNC2)C[C@@H]1OC ZINC000515224385 252252364 /nfs/dbraw/zinc/25/23/64/252252364.db2.gz GEPUVOMOOMUKMD-DTORHVGOSA-N 0 3 257.290 -2.053 20 0 CAADHN CC(=O)N1CCN(C(=O)CCNC(=O)CNC2CC2)CC1 ZINC000514934089 252252394 /nfs/dbraw/zinc/25/23/94/252252394.db2.gz DDOYCNGJHPNNPD-UHFFFAOYSA-N 0 3 296.371 -1.065 20 0 CAADHN COC[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1CN)C1CC1 ZINC000514925720 252252490 /nfs/dbraw/zinc/25/24/90/252252490.db2.gz KVRCWHFIAKPMKA-RYUDHWBXSA-N 0 3 298.387 -1.371 20 0 CAADHN CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)NC1CNC1 ZINC000515224409 252252518 /nfs/dbraw/zinc/25/25/18/252252518.db2.gz HEWSYOVXEYTCSO-LLVKDONJSA-N 0 3 268.361 -1.127 20 0 CAADHN N[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCC1 ZINC000515171625 252252549 /nfs/dbraw/zinc/25/25/49/252252549.db2.gz SOEDSSVLIRDXBE-MXWKQRLJSA-N 0 3 266.345 -1.116 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)[C@H](CN)OC ZINC000514864230 252252570 /nfs/dbraw/zinc/25/25/70/252252570.db2.gz WCTQYZXVCIIDDH-ZETCQYMHSA-N 0 3 261.278 -2.163 20 0 CAADHN N[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCC1 ZINC000515171622 252252605 /nfs/dbraw/zinc/25/26/05/252252605.db2.gz SOEDSSVLIRDXBE-AXFHLTTASA-N 0 3 266.345 -1.116 20 0 CAADHN C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000515500350 252252861 /nfs/dbraw/zinc/25/28/61/252252861.db2.gz LEXDBUJJZQFKTN-GWOFURMSSA-N 0 3 294.355 -1.471 20 0 CAADHN CN(Cc1nnnn1C)C(=O)C(C)(C)N1CCNCC1 ZINC000515380704 252252875 /nfs/dbraw/zinc/25/28/75/252252875.db2.gz FEVQCLYIEXTRIB-UHFFFAOYSA-N 0 3 281.364 -1.148 20 0 CAADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CNC1 ZINC000515465292 252253004 /nfs/dbraw/zinc/25/30/04/252253004.db2.gz UJSYJROXIGBRRJ-JTQLQIEISA-N 0 3 282.344 -1.456 20 0 CAADHN COC[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)C1CC1 ZINC000514925718 252253053 /nfs/dbraw/zinc/25/30/53/252253053.db2.gz KVRCWHFIAKPMKA-NEPJUHHUSA-N 0 3 298.387 -1.371 20 0 CAADHN CCOC[C@H](O)CNCCNS(=O)(=O)NC(C)C ZINC000515467614 252253077 /nfs/dbraw/zinc/25/30/77/252253077.db2.gz FVBUKLPHGITTRI-SNVBAGLBSA-N 0 3 283.394 -1.194 20 0 CAADHN N[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CCC1 ZINC000515171624 252253167 /nfs/dbraw/zinc/25/31/67/252253167.db2.gz SOEDSSVLIRDXBE-HBNTYKKESA-N 0 3 266.345 -1.116 20 0 CAADHN COCCN1CCN(C[C@H](O)CN2CCOCC2)CC1 ZINC000194620239 532966992 /nfs/dbraw/zinc/96/69/92/532966992.db2.gz LKLNABFSIOLRTH-AWEZNQCLSA-N 0 3 287.404 -1.057 20 0 CAADHN C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001193618871 781975516 /nfs/dbraw/zinc/97/55/16/781975516.db2.gz BDXBOPUAZACSIJ-YUSALJHKSA-N 0 3 282.344 -1.116 20 0 CAADHN C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001193618871 781975528 /nfs/dbraw/zinc/97/55/28/781975528.db2.gz BDXBOPUAZACSIJ-YUSALJHKSA-N 0 3 282.344 -1.116 20 0 CAADHN COCCNC(=O)CNC(=O)CNC[C@@H]1CCCO1 ZINC000429765172 532999593 /nfs/dbraw/zinc/99/95/93/532999593.db2.gz WQNAXXLYENOCNE-JTQLQIEISA-N 0 3 273.333 -1.366 20 0 CAADHN COCCNC(=O)CNC(=O)C[C@H]1CSCCN1 ZINC000135355268 533000214 /nfs/dbraw/zinc/00/02/14/533000214.db2.gz WFRHVCPZCWHTFY-VIFPVBQESA-N 0 3 275.374 -1.040 20 0 CAADHN OC[C@@H]1C[C@@H](O)CN1C[C@@H](O)C[C@]1(O)CCOC1 ZINC001193635084 781975635 /nfs/dbraw/zinc/97/56/35/781975635.db2.gz DNBUOBFSCZQISS-WHOHXGKFSA-N 0 3 261.318 -1.684 20 0 CAADHN COCCNCCNC(=O)CN1CSCC1=O ZINC000262649476 533020369 /nfs/dbraw/zinc/02/03/69/533020369.db2.gz KAAPPBDUVNOHEX-UHFFFAOYSA-N 0 3 261.347 -1.129 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CCO[C@H](C2CC2)C1 ZINC000420171819 533020586 /nfs/dbraw/zinc/02/05/86/533020586.db2.gz SMRQNYCCLVDWAQ-LBPRGKRZSA-N 0 3 299.371 -1.024 20 0 CAADHN COCCNCCNC(=O)[C@@H]1CC(=O)N(CCOC)C1 ZINC000262684639 533024753 /nfs/dbraw/zinc/02/47/53/533024753.db2.gz XXOFOWOJMWRVNK-LLVKDONJSA-N 0 3 287.360 -1.167 20 0 CAADHN COCCNCCNS(=O)(=O)c1ccnn1C ZINC000129914921 533027333 /nfs/dbraw/zinc/02/73/33/533027333.db2.gz DZQRSKWBFWCVJX-UHFFFAOYSA-N 0 3 262.335 -1.066 20 0 CAADHN COCCNCCNS(=O)(=O)N(C)CCOC ZINC000262738284 533027345 /nfs/dbraw/zinc/02/73/45/533027345.db2.gz BATLUEIBOGYVJV-UHFFFAOYSA-N 0 3 269.367 -1.365 20 0 CAADHN COCCNCCNC(=O)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000420186773 285077048 /nfs/dbraw/zinc/07/70/48/285077048.db2.gz QMOUILRMUZMTRD-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN COCCNCC(=O)N1CCS(=O)(=O)C[C@@H]1C ZINC000226362203 285074625 /nfs/dbraw/zinc/07/46/25/285074625.db2.gz QTYCSBXRKJFPRA-VIFPVBQESA-N 0 3 264.347 -1.132 20 0 CAADHN COC[C@H](CNC(=O)CN(C)C)NC(=O)CN(C)C ZINC000190006726 533031338 /nfs/dbraw/zinc/03/13/38/533031338.db2.gz RBYCLFXSJVWQLN-JTQLQIEISA-N 0 3 274.365 -1.643 20 0 CAADHN COCCNCC(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000430902565 285075559 /nfs/dbraw/zinc/07/55/59/285075559.db2.gz BWORUOUOWGFORR-LLVKDONJSA-N 0 3 286.376 -1.322 20 0 CAADHN COCCNCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000262182823 285078032 /nfs/dbraw/zinc/07/80/32/285078032.db2.gz WZKMOPQDHPHOPC-UHFFFAOYSA-N 0 3 286.332 -1.331 20 0 CAADHN CO[C@@]1(CNCc2cn(C)c(=O)n(C)c2=O)CCOC1 ZINC000122902207 533034452 /nfs/dbraw/zinc/03/44/52/533034452.db2.gz VUIFHEYTYDERRJ-CYBMUJFWSA-N 0 3 283.328 -1.021 20 0 CAADHN COCCOC1CN(C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000420064164 533042400 /nfs/dbraw/zinc/04/24/00/533042400.db2.gz OMYUWUKHWSLPOW-LLVKDONJSA-N 0 3 285.344 -1.286 20 0 CAADHN COCCOC1CN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000420064166 533042558 /nfs/dbraw/zinc/04/25/58/533042558.db2.gz OMYUWUKHWSLPOW-NSHDSACASA-N 0 3 285.344 -1.286 20 0 CAADHN COc1ccnc(CNC(=O)C(=O)N(C)[C@@H](C)CN)n1 ZINC000424543862 533043104 /nfs/dbraw/zinc/04/31/04/533043104.db2.gz KDCWLSIXLKCNLR-QMMMGPOBSA-N 0 3 281.316 -1.093 20 0 CAADHN COc1ccnc(CNC(=O)C(=O)N[C@@H](CN)C2CC2)n1 ZINC000424535562 533044401 /nfs/dbraw/zinc/04/44/01/533044401.db2.gz ANOPQNOGVKTPAK-VIFPVBQESA-N 0 3 293.327 -1.045 20 0 CAADHN C[C@@H](C(=O)N1CCN(C)C[C@@H]1CN)N1CCN(C)CC1 ZINC000574811221 335049088 /nfs/dbraw/zinc/04/90/88/335049088.db2.gz CMQUFXIRMKMTQW-STQMWFEESA-N 0 3 283.420 -1.276 20 0 CAADHN C[C@@H](C(=O)N1CCN(C)C[C@H]1CN)N1CCN(C)CC1 ZINC000574811218 335049146 /nfs/dbraw/zinc/04/91/46/335049146.db2.gz CMQUFXIRMKMTQW-QWHCGFSZSA-N 0 3 283.420 -1.276 20 0 CAADHN C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001193618868 781976063 /nfs/dbraw/zinc/97/60/63/781976063.db2.gz BDXBOPUAZACSIJ-MVWJERBFSA-N 0 3 282.344 -1.116 20 0 CAADHN C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001193618868 781976070 /nfs/dbraw/zinc/97/60/70/781976070.db2.gz BDXBOPUAZACSIJ-MVWJERBFSA-N 0 3 282.344 -1.116 20 0 CAADHN C[C@@H](NC(=O)C[C@@H]1CNCCO1)C(=O)N1CCOCC1 ZINC000135269424 533087878 /nfs/dbraw/zinc/08/78/78/533087878.db2.gz WJGJCGPWWGFQAT-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)[C@@H]1CN(C[C@@H](O)CN(C)CCOC)CCO1 ZINC000574830802 335051215 /nfs/dbraw/zinc/05/12/15/335051215.db2.gz LNHJLHVXPDQBPN-RYUDHWBXSA-N 0 3 289.376 -1.628 20 0 CAADHN CNC(=O)[C@H]1CN(C[C@@H](O)CN(C)CCOC)CCO1 ZINC000574830801 335051305 /nfs/dbraw/zinc/05/13/05/335051305.db2.gz LNHJLHVXPDQBPN-NWDGAFQWSA-N 0 3 289.376 -1.628 20 0 CAADHN CNC(=O)[C@H]1CN(C[C@H](O)CN(C)CCOC)CCO1 ZINC000574830803 335051309 /nfs/dbraw/zinc/05/13/09/335051309.db2.gz LNHJLHVXPDQBPN-VXGBXAGGSA-N 0 3 289.376 -1.628 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CC[C@@H](CO)[C@@H](O)C1 ZINC000574841167 335051575 /nfs/dbraw/zinc/05/15/75/335051575.db2.gz VHEAKYIUOADZTJ-QWRGUYRKSA-N 0 3 288.344 -1.317 20 0 CAADHN CO[C@H](CN)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000353426902 533147763 /nfs/dbraw/zinc/14/77/63/533147763.db2.gz KLKMZDZIAGOJPV-SNVBAGLBSA-N 0 3 293.327 -1.070 20 0 CAADHN COC(=O)[C@@]1(NC(=O)C[C@@H]2CNCCO2)CCOC1 ZINC000430072849 533146336 /nfs/dbraw/zinc/14/63/36/533146336.db2.gz VPBPGALUZOPRGJ-BXKDBHETSA-N 0 3 272.301 -1.187 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001193765577 781976565 /nfs/dbraw/zinc/97/65/65/781976565.db2.gz CNLPIROMRLOVJI-GMTAPVOTSA-N 0 3 298.387 -1.494 20 0 CAADHN COC[C@@H](NC(=O)C(=O)N1CCN(C)C[C@H]1CN)C1CC1 ZINC000514925721 285226094 /nfs/dbraw/zinc/22/60/94/285226094.db2.gz KVRCWHFIAKPMKA-VXGBXAGGSA-N 0 3 298.387 -1.371 20 0 CAADHN C[C@@H](C(=O)N(C)C)S(=O)(=O)NCCOCCN(C)C ZINC000447753767 533168143 /nfs/dbraw/zinc/16/81/43/533168143.db2.gz NHFWVWAOJHLTDK-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN C[C@@H](NC(=O)NC[C@]1(O)CCN(C)C1)C(=O)N(C)C ZINC000358692576 533180191 /nfs/dbraw/zinc/18/01/91/533180191.db2.gz ZLOSNHDVEFTCDQ-BXKDBHETSA-N 0 3 272.349 -1.171 20 0 CAADHN CN(C)[C@@H](C(=O)N[C@@H]1CN(CCO)C[C@H]1O)C1CC1 ZINC001193791678 781976741 /nfs/dbraw/zinc/97/67/41/781976741.db2.gz OMXWWTNHYDDEFD-IJLUTSLNSA-N 0 3 271.361 -1.520 20 0 CAADHN CC(C(=O)N1CC(OCC(=O)N(C)C)C1)S(C)(=O)=O ZINC000332078939 533189526 /nfs/dbraw/zinc/18/95/26/533189526.db2.gz YHFJARQPOKDXPF-QMMMGPOBSA-N 0 3 292.357 -1.265 20 0 CAADHN CN(CC(=O)N[C@@H]1CN(CCO)C[C@H]1O)C1CCC1 ZINC001193828649 781976981 /nfs/dbraw/zinc/97/69/81/781976981.db2.gz SVRVKANJQTUIDJ-VXGBXAGGSA-N 0 3 271.361 -1.376 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001193718581 781977251 /nfs/dbraw/zinc/97/72/51/781977251.db2.gz HFSLBBYHUDZRGU-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001193756389 781977462 /nfs/dbraw/zinc/97/74/62/781977462.db2.gz QFUSJANVJAKSRS-WZRBSPASSA-N 0 3 298.387 -1.766 20 0 CAADHN CN(C)[C@H](C(=O)N[C@@H]1CN(CCCO)C[C@H]1O)C1CC1 ZINC001193792090 781977990 /nfs/dbraw/zinc/97/79/90/781977990.db2.gz WWLGAUAXIRGTDC-UPJWGTAASA-N 0 3 285.388 -1.130 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001193765578 781978074 /nfs/dbraw/zinc/97/80/74/781978074.db2.gz CNLPIROMRLOVJI-HBNTYKKESA-N 0 3 298.387 -1.494 20 0 CAADHN CO[C@H](CN)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000574875118 335054199 /nfs/dbraw/zinc/05/41/99/335054199.db2.gz VAJJQISAVKKKHK-NXEZZACHSA-N 0 3 293.389 -1.111 20 0 CAADHN CCN1CCN(C(=O)C(=O)N[C@@H](C)CN)[C@@H](C)C1=O ZINC000420030537 285290924 /nfs/dbraw/zinc/29/09/24/285290924.db2.gz PXPBFIYZHQOFKB-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN CN(C)[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)C1CC1 ZINC001193781360 781978470 /nfs/dbraw/zinc/97/84/70/781978470.db2.gz LHARUGNFUDWBGA-FOGDFJRCSA-N 0 3 284.360 -2.027 20 0 CAADHN CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001193745456 781978552 /nfs/dbraw/zinc/97/85/52/781978552.db2.gz FOPNEWSEIZLNGU-GHMZBOCLSA-N 0 3 298.387 -1.622 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H]1CNCCC(=O)NC(N)=O ZINC000575053251 335059831 /nfs/dbraw/zinc/05/98/31/335059831.db2.gz DJXDRXKHVWOUTD-MRVPVSSYSA-N 0 3 292.361 -1.415 20 0 CAADHN COCCN(C)[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001193895819 781979723 /nfs/dbraw/zinc/97/97/23/781979723.db2.gz AIXMDPPQQYOJFD-SNVBAGLBSA-N 0 3 298.343 -1.283 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193889639 781980669 /nfs/dbraw/zinc/98/06/69/781980669.db2.gz SCDHZSKACGMNFE-LBPRGKRZSA-N 0 3 297.359 -1.180 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001193889632 781980822 /nfs/dbraw/zinc/98/08/22/781980822.db2.gz SCDHZSKACGMNFE-GFCCVEGCSA-N 0 3 297.359 -1.180 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001193978674 781981498 /nfs/dbraw/zinc/98/14/98/781981498.db2.gz WKVVVEJTNQUQSU-IJLUTSLNSA-N 0 3 299.371 -1.147 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(CCO)C[C@H]1O)N(C)C ZINC001193961544 781981533 /nfs/dbraw/zinc/98/15/33/781981533.db2.gz WCMJSHUCFWXSCL-UTUOFQBUSA-N 0 3 273.377 -1.274 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)N(C)C ZINC001194095086 781984130 /nfs/dbraw/zinc/98/41/30/781984130.db2.gz DBAVQMAOXRRJRJ-OPRDCNLKSA-N 0 3 272.349 -2.027 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)c1ncccn1 ZINC001273673896 781986779 /nfs/dbraw/zinc/98/67/79/781986779.db2.gz LVZHCMRZLKGNEM-UHFFFAOYSA-N 0 3 294.315 -1.277 20 0 CAADHN CO[C@H]1CN(C(=O)C(=O)N(C)CCN)C[C@@H]1OC ZINC000423427205 533267159 /nfs/dbraw/zinc/26/71/59/533267159.db2.gz IILSAFCNYFXZPR-IUCAKERBSA-N 0 3 259.306 -1.724 20 0 CAADHN COC(=O)[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)OC ZINC000347804576 533281840 /nfs/dbraw/zinc/28/18/40/533281840.db2.gz ADBCJPOSSACKLV-QWRGUYRKSA-N 0 3 285.344 -1.320 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)[C@H](CN)OC ZINC000227365729 533319076 /nfs/dbraw/zinc/31/90/76/533319076.db2.gz BOTUSIDQJHVWOT-VIFPVBQESA-N 0 3 261.322 -1.477 20 0 CAADHN COCCN(C)CCCNC(=O)CN1CCOCC1=O ZINC000344318592 533311250 /nfs/dbraw/zinc/31/12/50/533311250.db2.gz DUSQATODMCYXGI-UHFFFAOYSA-N 0 3 287.360 -1.070 20 0 CAADHN COCCN(C)CCNC(=O)Cn1ncn(C)c1=O ZINC000181410754 533315929 /nfs/dbraw/zinc/31/59/29/533315929.db2.gz ZRZLGYNBABQWBV-UHFFFAOYSA-N 0 3 271.321 -1.724 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)COC2CNC2)C1 ZINC000430290818 533387677 /nfs/dbraw/zinc/38/76/77/533387677.db2.gz SCFONKUHMAEEOI-SECBINFHSA-N 0 3 291.373 -1.485 20 0 CAADHN CS(=O)(=O)N1CCC[C@H](CN2C[C@@H](O)[C@@H](O)C2)C1 ZINC000093701227 533390054 /nfs/dbraw/zinc/39/00/54/533390054.db2.gz OULHKVOGIYCQRO-MXWKQRLJSA-N 0 3 278.374 -1.305 20 0 CAADHN CO[C@]1(CNCc2cn(C)c(=O)n(C)c2=O)CCOC1 ZINC000122902418 533382103 /nfs/dbraw/zinc/38/21/03/533382103.db2.gz VUIFHEYTYDERRJ-ZDUSSCGKSA-N 0 3 283.328 -1.021 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)CN)C[C@H]1OC ZINC000423713672 533443911 /nfs/dbraw/zinc/44/39/11/533443911.db2.gz FIROAWFMWALGCO-IVZWLZJFSA-N 0 3 273.333 -1.336 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N(C)CCN)C[C@@H]1OC ZINC000423427174 533444278 /nfs/dbraw/zinc/44/42/78/533444278.db2.gz IILSAFCNYFXZPR-DTORHVGOSA-N 0 3 259.306 -1.724 20 0 CAADHN CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000331955779 533390928 /nfs/dbraw/zinc/39/09/28/533390928.db2.gz KSQAURPRVWEKCJ-YIZRAAEISA-N 0 3 261.347 -1.126 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188278376 533392684 /nfs/dbraw/zinc/39/26/84/533392684.db2.gz SPRNUPQRKUOWRX-DTWKUNHWSA-N 0 3 279.337 -1.210 20 0 CAADHN CS(=O)(=O)NCCNC(=O)CNC[C@H]1CCCO1 ZINC000429824424 533397659 /nfs/dbraw/zinc/39/76/59/533397659.db2.gz LBZNWVFYUIKLRN-SECBINFHSA-N 0 3 279.362 -1.580 20 0 CAADHN CS(=O)(=O)NCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000367155938 533398377 /nfs/dbraw/zinc/39/83/77/533398377.db2.gz BZPUGAVLHHAHNA-JTQLQIEISA-N 0 3 290.389 -1.958 20 0 CAADHN CS(=O)(=O)NCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000367155939 533399840 /nfs/dbraw/zinc/39/98/40/533399840.db2.gz BZPUGAVLHHAHNA-SNVBAGLBSA-N 0 3 290.389 -1.958 20 0 CAADHN C[C@@H](CC(N)=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000358153420 533497681 /nfs/dbraw/zinc/49/76/81/533497681.db2.gz ITKYSAWSFHEAAD-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN COC(=O)[C@H]1COCCN1C(=O)C(C)S(C)(=O)=O ZINC000135521276 533497870 /nfs/dbraw/zinc/49/78/70/533497870.db2.gz AEWOVYKATZGDON-JGVFFNPUSA-N 0 3 279.314 -1.180 20 0 CAADHN COC(=O)CNC(=O)CCN(C)[C@@H]1COC[C@H]1O ZINC000352814766 533516289 /nfs/dbraw/zinc/51/62/89/533516289.db2.gz JMYWDECDSLRICB-RKDXNWHRSA-N 0 3 260.290 -1.643 20 0 CAADHN C[C@@H](O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000345946154 533577938 /nfs/dbraw/zinc/57/79/38/533577938.db2.gz VDYKGRZCHKBNQF-SECBINFHSA-N 0 3 283.332 -1.120 20 0 CAADHN COC[C@@H](O)CN1CCCN(C(=O)CNC(C)=O)CC1 ZINC001194689750 781994200 /nfs/dbraw/zinc/99/42/00/781994200.db2.gz WXCPSPFEQFYVOJ-LBPRGKRZSA-N 0 3 287.360 -1.336 20 0 CAADHN COC(=O)[C@]1(NC(=O)C[C@@H]2CNCCO2)CCOC1 ZINC000430072852 533629883 /nfs/dbraw/zinc/62/98/83/533629883.db2.gz VPBPGALUZOPRGJ-SKDRFNHKSA-N 0 3 272.301 -1.187 20 0 CAADHN C[C@@H](O)C[N@H+](CCO)CCCOC(=O)N=C(N)[O-] ZINC000495944868 533656285 /nfs/dbraw/zinc/65/62/85/533656285.db2.gz GVBKXDQDVHRULQ-MRVPVSSYSA-N 0 3 263.294 -1.144 20 0 CAADHN C[C@@H](O)C[N@@H+](CCO)CCCOC(=O)N=C(N)[O-] ZINC000495944868 533656286 /nfs/dbraw/zinc/65/62/86/533656286.db2.gz GVBKXDQDVHRULQ-MRVPVSSYSA-N 0 3 263.294 -1.144 20 0 CAADHN C[C@@H](O)C[N@H+](CCO)CCCOC([O-])=NC(N)=O ZINC000495944868 533656289 /nfs/dbraw/zinc/65/62/89/533656289.db2.gz GVBKXDQDVHRULQ-MRVPVSSYSA-N 0 3 263.294 -1.144 20 0 CAADHN C[C@@H](O)C[N@@H+](CCO)CCCOC([O-])=NC(N)=O ZINC000495944868 533656291 /nfs/dbraw/zinc/65/62/91/533656291.db2.gz GVBKXDQDVHRULQ-MRVPVSSYSA-N 0 3 263.294 -1.144 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](C)N(C)C)n1 ZINC000341796710 130035366 /nfs/dbraw/zinc/03/53/66/130035366.db2.gz IZTCGLXIJPBKCK-JTQLQIEISA-N 0 3 297.407 -1.276 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@H]2CCOC2)n1 ZINC000341837013 130083330 /nfs/dbraw/zinc/08/33/30/130083330.db2.gz ALEJZUQDBKBOON-SNVBAGLBSA-N 0 3 296.375 -1.190 20 0 CAADHN C[C@H](CNC(=O)C1CCN(S(N)(=O)=O)CC1)N(C)C ZINC000341883253 130109228 /nfs/dbraw/zinc/10/92/28/130109228.db2.gz NSEBVXOREMYIFT-SECBINFHSA-N 0 3 292.405 -1.032 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](O)CN1CCCCC1 ZINC000342082940 130245732 /nfs/dbraw/zinc/24/57/32/130245732.db2.gz NPCIUWDCYRGSHH-JTQLQIEISA-N 0 3 272.349 -1.122 20 0 CAADHN COCCNCC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000105899876 545608108 /nfs/dbraw/zinc/60/81/08/545608108.db2.gz PHVJZDWOHPVEGY-UHFFFAOYSA-N 0 3 286.376 -1.545 20 0 CAADHN CN(C)CCn1cc(NC(=O)Cn2ncn(C)c2=O)cn1 ZINC000678347496 545609229 /nfs/dbraw/zinc/60/92/29/545609229.db2.gz KNNCUNPFILYMRB-UHFFFAOYSA-N 0 3 293.331 -1.021 20 0 CAADHN NC(=O)NCC(=O)N1CCCN(CCCO)CC1 ZINC001194762302 781995594 /nfs/dbraw/zinc/99/55/94/781995594.db2.gz ULLPDTQZIZMVGN-UHFFFAOYSA-N 0 3 258.322 -1.429 20 0 CAADHN COC[C@@H](O)CN1CCCN(C(=O)Cn2cnnn2)CC1 ZINC001194761127 781996096 /nfs/dbraw/zinc/99/60/96/781996096.db2.gz BAFSWYCQXNXHBV-NSHDSACASA-N 0 3 298.347 -1.785 20 0 CAADHN COC[C@H](O)CN1CCCN(C(=O)Cn2cnnn2)CC1 ZINC001194761126 781996901 /nfs/dbraw/zinc/99/69/01/781996901.db2.gz BAFSWYCQXNXHBV-LLVKDONJSA-N 0 3 298.347 -1.785 20 0 CAADHN CN(C)CCn1cc(NC(=O)NC[C@H](O)CO)cn1 ZINC000678660169 545609787 /nfs/dbraw/zinc/60/97/87/545609787.db2.gz WDJHJFSTOSAXFK-JTQLQIEISA-N 0 3 271.321 -1.081 20 0 CAADHN CN(C)C1CN(c2ccc(C(=O)NCCO)nn2)C1 ZINC000680375149 545612555 /nfs/dbraw/zinc/61/25/55/545612555.db2.gz QDYWDPBJPPOVSU-UHFFFAOYSA-N 0 3 265.317 -1.051 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194952178 781999366 /nfs/dbraw/zinc/99/93/66/781999366.db2.gz KTDKMHNXDWUAEA-GHMZBOCLSA-N 0 3 297.359 -1.458 20 0 CAADHN CN1CC[C@](O)(CNC(=O)Nc2nccn(C)c2=O)C1 ZINC000680831003 545614102 /nfs/dbraw/zinc/61/41/02/545614102.db2.gz IXGUGIKYXUHPAM-LBPRGKRZSA-N 0 3 281.316 -1.032 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000682202027 545616772 /nfs/dbraw/zinc/61/67/72/545616772.db2.gz CHOPCNJAGNIVOD-SECBINFHSA-N 0 3 278.378 -1.071 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCc2nnnn2C)CC1=O ZINC000681793606 545616816 /nfs/dbraw/zinc/61/68/16/545616816.db2.gz YBZHTEMNLDFLIC-SECBINFHSA-N 0 3 295.347 -1.764 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC[C@@H](O)CN1CCOCC1 ZINC000515637923 285796413 /nfs/dbraw/zinc/79/64/13/285796413.db2.gz IYTPGCYLMHMSOZ-GRYCIOLGSA-N 0 3 260.334 -1.317 20 0 CAADHN CC(C)(O)[C@@H](O)CN(CCO)CCOCCO ZINC001195021253 782000799 /nfs/dbraw/zinc/00/07/99/782000799.db2.gz GTYMVOUXDFDKQD-JTQLQIEISA-N 0 3 251.323 -1.579 20 0 CAADHN CN(C)C[C@]1(O)CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000683910227 545619967 /nfs/dbraw/zinc/61/99/67/545619967.db2.gz RYWAFYYFOOSDNT-CYBMUJFWSA-N 0 3 297.359 -1.503 20 0 CAADHN COC[C@@H](C)OC[C@@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000683667167 545620207 /nfs/dbraw/zinc/62/02/07/545620207.db2.gz QURHMKZGNWLWIB-WYUUTHIRSA-N 0 3 263.334 -1.174 20 0 CAADHN CN(C)C[C@@]1(O)CCCN(C(=O)Cn2cnnn2)C1 ZINC000684175207 545620795 /nfs/dbraw/zinc/62/07/95/545620795.db2.gz QBTABFJKSMSJBL-NSHDSACASA-N 0 3 268.321 -1.412 20 0 CAADHN CN(C)C[C@]1(O)CCCN(C(=O)Cn2cnnn2)C1 ZINC000684175202 545620982 /nfs/dbraw/zinc/62/09/82/545620982.db2.gz QBTABFJKSMSJBL-LLVKDONJSA-N 0 3 268.321 -1.412 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)CNC2CC2)CC1 ZINC000037495960 545623875 /nfs/dbraw/zinc/62/38/75/545623875.db2.gz ZWHMQDOBIDGVHL-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN CN(C)C[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1 ZINC000247194047 289202083 /nfs/dbraw/zinc/20/20/83/289202083.db2.gz OKKGRUOPNBRHHY-UONOGXRCSA-N 0 3 287.404 -1.058 20 0 CAADHN O=C1CCN(C[C@H](O)CN2CCOCC2)CCN1 ZINC000103231074 545624963 /nfs/dbraw/zinc/62/49/63/545624963.db2.gz LGSUTEKKWWZLMG-NSHDSACASA-N 0 3 257.334 -1.499 20 0 CAADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001195271373 782001825 /nfs/dbraw/zinc/00/18/25/782001825.db2.gz LJMTZFHQWCNHDM-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001195272582 782002567 /nfs/dbraw/zinc/00/25/67/782002567.db2.gz VIWXQKNVYMNIHZ-MWLCHTKSSA-N 0 3 298.343 -1.063 20 0 CAADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001195271398 782002761 /nfs/dbraw/zinc/00/27/61/782002761.db2.gz LSKGYLRAYKHGHI-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001195271375 782003227 /nfs/dbraw/zinc/00/32/27/782003227.db2.gz LJMTZFHQWCNHDM-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001195296135 782004247 /nfs/dbraw/zinc/00/42/47/782004247.db2.gz ZMHWRGLLXAFZHA-GMTAPVOTSA-N 0 3 287.360 -1.304 20 0 CAADHN C[NH+](C)[C@H](CNC(=O)CN1CC(=O)[N-]C1=O)C1CC1 ZINC000111573310 289352075 /nfs/dbraw/zinc/35/20/75/289352075.db2.gz OYEFFDYCGVUWQX-SECBINFHSA-N 0 3 268.317 -1.005 20 0 CAADHN COC[C@@H](O)CN1CCCN(C(=O)CC(N)=O)CC1 ZINC001195364479 782006397 /nfs/dbraw/zinc/00/63/97/782006397.db2.gz SWPDMBIPNBMWSS-JTQLQIEISA-N 0 3 273.333 -1.597 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001195296136 782005259 /nfs/dbraw/zinc/00/52/59/782005259.db2.gz ZMHWRGLLXAFZHA-HBNTYKKESA-N 0 3 287.360 -1.304 20 0 CAADHN Cn1cc(CCC(=O)NCCN[C@H]2CCNC2=O)cn1 ZINC001152208149 782006250 /nfs/dbraw/zinc/00/62/50/782006250.db2.gz GEAYSYLJSMESIL-NSHDSACASA-N 0 3 279.344 -1.053 20 0 CAADHN CCNC(=O)CN1CC2(C1)COCC(=O)N2CCN(C)C ZINC001273699040 782006922 /nfs/dbraw/zinc/00/69/22/782006922.db2.gz HDSNFIDJTUUFOS-UHFFFAOYSA-N 0 3 298.387 -1.403 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001195452427 782007846 /nfs/dbraw/zinc/00/78/46/782007846.db2.gz IITKLSLMKMTIQG-QJPTWQEYSA-N 0 3 299.371 -1.338 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)COC1CNC1 ZINC000430882839 297126565 /nfs/dbraw/zinc/12/65/65/297126565.db2.gz NGCIGKILLZXYKO-SNVBAGLBSA-N 0 3 257.334 -1.188 20 0 CAADHN COCCCN(CCO)CCCS(N)(=O)=O ZINC000189907460 292342501 /nfs/dbraw/zinc/34/25/01/292342501.db2.gz NTFQWNYIAFAGOX-UHFFFAOYSA-N 0 3 254.352 -1.004 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N[C@H](CN)C2CC2)C[C@@H](CO)O1 ZINC000420055302 296787455 /nfs/dbraw/zinc/78/74/55/296787455.db2.gz GHGVRRIPWZRNEG-DVVUODLYSA-N 0 3 285.344 -1.552 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000419200370 286824846 /nfs/dbraw/zinc/82/48/46/286824846.db2.gz FEYQEWZCKGPHQH-RCWTZXSCSA-N 0 3 296.371 -1.083 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)C[C@H]1CNCCO1 ZINC000091300922 292439851 /nfs/dbraw/zinc/43/98/51/292439851.db2.gz ZDCJGDYBKUMKKN-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CC[C@@H](O)CN1CCN(CCNS(C)(=O)=O)CC1 ZINC000174078988 286942966 /nfs/dbraw/zinc/94/29/66/286942966.db2.gz HHDFJTBUNPCZOI-LLVKDONJSA-N 0 3 279.406 -1.076 20 0 CAADHN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000646972109 409328750 /nfs/dbraw/zinc/32/87/50/409328750.db2.gz JUJBVLGIFQPJHD-VIFPVBQESA-N 0 3 282.344 -1.157 20 0 CAADHN C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000647012468 409329382 /nfs/dbraw/zinc/32/93/82/409329382.db2.gz UVHYSPNSHIBXEG-SECBINFHSA-N 0 3 282.344 -1.157 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)Cn1cnc(C(N)=O)n1 ZINC000650104557 409319486 /nfs/dbraw/zinc/31/94/86/409319486.db2.gz MKZOBDCLQKDQOR-VIFPVBQESA-N 0 3 280.332 -1.070 20 0 CAADHN O=C1CNCCN1[C@@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000662266749 409320504 /nfs/dbraw/zinc/32/05/04/409320504.db2.gz LYCFEJDROHZWLZ-CHWSQXEVSA-N 0 3 282.388 -1.129 20 0 CAADHN CO[C@](C)(CO)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000655214513 409321431 /nfs/dbraw/zinc/32/14/31/409321431.db2.gz BDPBDKSJPCFDFF-YPMHNXCESA-N 0 3 271.361 -1.110 20 0 CAADHN O=C(NC[C@@H]1C[C@H](F)CN1)c1nc2n(n1)CCCN2 ZINC000648140910 409321733 /nfs/dbraw/zinc/32/17/33/409321733.db2.gz PYXKFJZGNOQVII-YUMQZZPRSA-N 0 3 268.296 -1.219 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2)S1(=O)=O ZINC000648141152 409321863 /nfs/dbraw/zinc/32/18/63/409321863.db2.gz HPTCYSPXKURCTR-CIUDSAMLSA-N 0 3 279.337 -1.164 20 0 CAADHN COCCN1CCN(C[C@@H]2CNCCO2)CC1=O ZINC000662279279 409322542 /nfs/dbraw/zinc/32/25/42/409322542.db2.gz IMWBPZBDVYZDCY-NSHDSACASA-N 0 3 257.334 -1.235 20 0 CAADHN CO[C@](C)(CO)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000655214510 409322622 /nfs/dbraw/zinc/32/26/22/409322622.db2.gz BDPBDKSJPCFDFF-AAEUAGOBSA-N 0 3 271.361 -1.110 20 0 CAADHN CC1(OCC(=O)NCC(=O)N2CCOCC2)CNC1 ZINC000387778246 409323239 /nfs/dbraw/zinc/32/32/39/409323239.db2.gz BSEUMKBCOIQVQO-UHFFFAOYSA-N 0 3 271.317 -1.660 20 0 CAADHN COCCN1CC[C@H](NC(=O)N[C@H]2CCNC2=O)C1 ZINC000660705880 409323876 /nfs/dbraw/zinc/32/38/76/409323876.db2.gz XKQCMEHZGAZDDF-UWVGGRQHSA-N 0 3 270.333 -1.105 20 0 CAADHN O=C(Nc1ccc(N2CCNCC2)cn1)C1(O)CNC1 ZINC000662407847 409324819 /nfs/dbraw/zinc/32/48/19/409324819.db2.gz JWHVCDRZCCGTJC-UHFFFAOYSA-N 0 3 277.328 -1.236 20 0 CAADHN CN1CCN(C(=O)c2ccn3nnnc3c2)[C@@H](CN)C1 ZINC000662428577 409324952 /nfs/dbraw/zinc/32/49/52/409324952.db2.gz JRJGSITZQYDYSJ-JTQLQIEISA-N 0 3 275.316 -1.161 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC000646917934 409325883 /nfs/dbraw/zinc/32/58/83/409325883.db2.gz KACJDKDPGRNARG-NWDGAFQWSA-N 0 3 280.372 -1.077 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000646925684 409325981 /nfs/dbraw/zinc/32/59/81/409325981.db2.gz STTVNWTVNPCXLI-RKDXNWHRSA-N 0 3 276.362 -1.797 20 0 CAADHN CCC[C@H](C(=O)NC[C@@](C)(O)CN(C)C)S(N)(=O)=O ZINC000646940361 409326435 /nfs/dbraw/zinc/32/64/35/409326435.db2.gz DLEFGQUZUPZFGX-MWLCHTKSSA-N 0 3 295.405 -1.128 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CCN=C2C1=NNN2C ZINC000646940946 409326478 /nfs/dbraw/zinc/32/64/78/409326478.db2.gz QFZLOTRGBGEUJB-ZANVPECISA-N 0 3 296.375 -1.360 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000646925681 409326794 /nfs/dbraw/zinc/32/67/94/409326794.db2.gz STTVNWTVNPCXLI-BDAKNGLRSA-N 0 3 276.362 -1.797 20 0 CAADHN Cn1cnn(CC(=O)N2CC[C@@H]3CN(C)C[C@@H]32)c1=O ZINC000646938123 409326892 /nfs/dbraw/zinc/32/68/92/409326892.db2.gz ZFSCUGAHASVMPH-ZJUUUORDSA-N 0 3 265.317 -1.256 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@](C)(O)CN(C)C ZINC000646941103 409326955 /nfs/dbraw/zinc/32/69/55/409326955.db2.gz TXFHGPORSIGBRU-ONGXEEELSA-N 0 3 295.405 -1.257 20 0 CAADHN CCC[C@H](C(=O)NC[C@](C)(O)CN(C)C)S(N)(=O)=O ZINC000646940360 409327207 /nfs/dbraw/zinc/32/72/07/409327207.db2.gz DLEFGQUZUPZFGX-KOLCDFICSA-N 0 3 295.405 -1.128 20 0 CAADHN Cn1cnn(CC(=O)N2CC[C@@H]3CN(C)C[C@H]32)c1=O ZINC000646938120 409327401 /nfs/dbraw/zinc/32/74/01/409327401.db2.gz ZFSCUGAHASVMPH-NXEZZACHSA-N 0 3 265.317 -1.256 20 0 CAADHN C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN1CC(=O)[N-]C1=O ZINC000647035568 409327974 /nfs/dbraw/zinc/32/79/74/409327974.db2.gz OMCADNMETJGGSL-YUMQZZPRSA-N 0 3 272.280 -1.303 20 0 CAADHN CC(C)(C)NS(=O)(=O)CC(=O)NC[C@@H]1CNCCO1 ZINC000647086571 409330043 /nfs/dbraw/zinc/33/00/43/409330043.db2.gz GFTQBZKPVHMUAA-VIFPVBQESA-N 0 3 293.389 -1.191 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000407999326 409357309 /nfs/dbraw/zinc/35/73/09/409357309.db2.gz VQEZROMSVFNXEC-NXEZZACHSA-N 0 3 292.405 -1.019 20 0 CAADHN C[C@H](CNC(=O)NC[C@H](C)N(C)C)S(N)(=O)=O ZINC000665044193 409358665 /nfs/dbraw/zinc/35/86/65/409358665.db2.gz QZKBUSGOBYYHAB-JGVFFNPUSA-N 0 3 266.367 -1.087 20 0 CAADHN CN(C)CCN(C)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000428881483 409362404 /nfs/dbraw/zinc/36/24/04/409362404.db2.gz PANDKCRPPQDXAF-UHFFFAOYSA-N 0 3 297.363 -0.608 20 0 CAADHN CN(C)CCn1ccc(NC(=O)NCCOCCO)n1 ZINC000438709332 409365416 /nfs/dbraw/zinc/36/54/16/409365416.db2.gz IHJUHJSCHJXPJV-UHFFFAOYSA-N 0 3 285.348 -0.425 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC2COCCOC2)C1 ZINC000644463094 409366876 /nfs/dbraw/zinc/36/68/76/409366876.db2.gz SBLZIVLZDMPDIW-GFCCVEGCSA-N 0 3 273.333 -1.232 20 0 CAADHN CC[C@H](CNS(C)(=O)=O)NC[C@@H](O)COC ZINC000644657465 409369429 /nfs/dbraw/zinc/36/94/29/409369429.db2.gz SRVFGANWFWQTPA-RKDXNWHRSA-N 0 3 254.352 -1.089 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CN2CCOCC2)C1=O ZINC000644642136 409369644 /nfs/dbraw/zinc/36/96/44/409369644.db2.gz ATWWSPBYFMPPFZ-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@H](NC[C@@H](O)CN1CCOCC1)[C@@H]1CN(C)CCO1 ZINC000644602666 409369804 /nfs/dbraw/zinc/36/98/04/409369804.db2.gz JBTQMSWTWYWTKR-MJBXVCDLSA-N 0 3 287.404 -1.012 20 0 CAADHN O=C(NCCN1CCCC1)[C@@H]1CCS(=O)(=O)N1 ZINC000651027514 409370258 /nfs/dbraw/zinc/37/02/58/409370258.db2.gz JVBSDVAJPGJVOY-VIFPVBQESA-N 0 3 261.347 -1.110 20 0 CAADHN CC[C@@H](CNS(C)(=O)=O)NC[C@@H](O)COC ZINC000644657458 409370345 /nfs/dbraw/zinc/37/03/45/409370345.db2.gz SRVFGANWFWQTPA-DTWKUNHWSA-N 0 3 254.352 -1.089 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2CC(=O)N2CCNC(=O)C2)C1 ZINC000644731793 409372162 /nfs/dbraw/zinc/37/21/62/409372162.db2.gz SPYAAIXHNPBQIH-QWRGUYRKSA-N 0 3 266.345 -1.419 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655487860 409372309 /nfs/dbraw/zinc/37/23/09/409372309.db2.gz NZLFIIBVKUEHLI-GARJFASQSA-N 0 3 286.376 -1.325 20 0 CAADHN CN1C[C@H]2CCN(CC(=O)N3CCNC(=O)C3)[C@H]2C1 ZINC000644731790 409372465 /nfs/dbraw/zinc/37/24/65/409372465.db2.gz SPYAAIXHNPBQIH-MNOVXSKESA-N 0 3 266.345 -1.419 20 0 CAADHN CN1C[C@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)[C@@H]2C1 ZINC000644822693 409400437 /nfs/dbraw/zinc/40/04/37/409400437.db2.gz WHBPLDIMEOFMFD-RKDXNWHRSA-N 0 3 294.311 -1.431 20 0 CAADHN NC(=O)c1ncn(CC(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000651295910 409374993 /nfs/dbraw/zinc/37/49/93/409374993.db2.gz SFJGRAYVYMAHIO-JTQLQIEISA-N 0 3 292.343 -1.023 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCC[C@]2(O)CCOC2)C1 ZINC000651283430 409375695 /nfs/dbraw/zinc/37/56/95/409375695.db2.gz LTSFQVJVOFHOFJ-STQMWFEESA-N 0 3 287.360 -1.106 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CCN1 ZINC000651433228 409377775 /nfs/dbraw/zinc/37/77/75/409377775.db2.gz QLVGXPKGQRYOGM-QMMMGPOBSA-N 0 3 261.347 -1.112 20 0 CAADHN N[C@@H](C(=O)N1CCN(S(N)(=O)=O)CC1)C1CCC1 ZINC000399159729 409378222 /nfs/dbraw/zinc/37/82/22/409378222.db2.gz DZCRMJXFXWVMOA-SECBINFHSA-N 0 3 276.362 -1.539 20 0 CAADHN COC(=O)NCCCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000497177635 409378456 /nfs/dbraw/zinc/37/84/56/409378456.db2.gz KXNRWVDTJUJHOL-NXEZZACHSA-N 0 3 298.343 -1.107 20 0 CAADHN COCCCN(C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651382326 409379103 /nfs/dbraw/zinc/37/91/03/409379103.db2.gz HBAKHOSFTCAVNO-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN COC(=O)COCC(=O)Nc1ccn(CCN(C)C)n1 ZINC000352796955 409379359 /nfs/dbraw/zinc/37/93/59/409379359.db2.gz PPKMHIWHRVCMBA-UHFFFAOYSA-N 0 3 284.316 -0.427 20 0 CAADHN C[C@H](CO)C1CCN(C(=O)C(=O)NCCN)CC1 ZINC000652693729 409380806 /nfs/dbraw/zinc/38/08/06/409380806.db2.gz BSSJDPSYJRLTBK-SECBINFHSA-N 0 3 257.334 -1.072 20 0 CAADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000651488758 409380916 /nfs/dbraw/zinc/38/09/16/409380916.db2.gz CQLIJXZMNDHZCT-WPRPVWTQSA-N 0 3 292.343 -1.024 20 0 CAADHN CN1CCN(C(=O)CCN2CCC(O)(CO)CC2)CC1 ZINC000661619307 409380966 /nfs/dbraw/zinc/38/09/66/409380966.db2.gz LYNDKJLRXVLWAD-UHFFFAOYSA-N 0 3 285.388 -1.030 20 0 CAADHN C[C@@H](CO)C1CCN(C(=O)C(=O)NCCN)CC1 ZINC000652693730 409381326 /nfs/dbraw/zinc/38/13/26/409381326.db2.gz BSSJDPSYJRLTBK-VIFPVBQESA-N 0 3 257.334 -1.072 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655508054 409382823 /nfs/dbraw/zinc/38/28/23/409382823.db2.gz ABLWLFZCFPMGKN-UHNVWZDZSA-N 0 3 277.268 -1.070 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](CN)C(F)(F)F ZINC000655508053 409382964 /nfs/dbraw/zinc/38/29/64/409382964.db2.gz ABLWLFZCFPMGKN-RFZPGFLSSA-N 0 3 277.268 -1.070 20 0 CAADHN CC[C@@H]1C(=O)NCCN1C(=O)CN1CCNCC1 ZINC000110689980 409383237 /nfs/dbraw/zinc/38/32/37/409383237.db2.gz QQTBDVMDHAOEBL-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN NC1(C(=O)NCC(=O)N2CCNCC2)CCCC1 ZINC000647689125 409383359 /nfs/dbraw/zinc/38/33/59/409383359.db2.gz SXPUMAZPORIREJ-UHFFFAOYSA-N 0 3 254.334 -1.194 20 0 CAADHN CS(=O)(=O)NCCC(=O)N[C@@H](CN)C(F)(F)F ZINC000655508110 409383496 /nfs/dbraw/zinc/38/34/96/409383496.db2.gz BJIDOWCHRFRPBZ-YFKPBYRVSA-N 0 3 277.268 -1.069 20 0 CAADHN CN1C[C@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)[C@H]2C1 ZINC000644813078 409383739 /nfs/dbraw/zinc/38/37/39/409383739.db2.gz GBCOVLZODYGLOO-MNOVXSKESA-N 0 3 292.339 -1.291 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)[C@@H]2C1 ZINC000644813081 409383792 /nfs/dbraw/zinc/38/37/92/409383792.db2.gz GBCOVLZODYGLOO-WDEREUQCSA-N 0 3 292.339 -1.291 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655508056 409384217 /nfs/dbraw/zinc/38/42/17/409384217.db2.gz ABLWLFZCFPMGKN-WHFBIAKZSA-N 0 3 277.268 -1.070 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)COC1(C)CNC1 ZINC000647689142 409384404 /nfs/dbraw/zinc/38/44/04/409384404.db2.gz VOMAKFHWUAOHDW-UHFFFAOYSA-N 0 3 284.360 -1.745 20 0 CAADHN NC(=O)[C@@]1(NC(=O)[C@@H]2CNCCC2(F)F)CCOC1 ZINC000655502885 409384509 /nfs/dbraw/zinc/38/45/09/409384509.db2.gz BANLVOXFEOIBGI-OIBJUYFYSA-N 0 3 277.271 -1.008 20 0 CAADHN Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)NCCN ZINC000652693890 409384611 /nfs/dbraw/zinc/38/46/11/409384611.db2.gz ICNLRSPXQGDDQF-JTQLQIEISA-N 0 3 281.316 -1.605 20 0 CAADHN NC(=O)[C@]1(NC(=O)[C@H]2CNCCC2(F)F)CCOC1 ZINC000655502886 409384755 /nfs/dbraw/zinc/38/47/55/409384755.db2.gz BANLVOXFEOIBGI-XCBNKYQSSA-N 0 3 277.271 -1.008 20 0 CAADHN CC(C)NS(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651793385 409388851 /nfs/dbraw/zinc/38/88/51/409388851.db2.gz LODXWAMTNCPASW-UHFFFAOYSA-N 0 3 292.405 -1.065 20 0 CAADHN CN(C)CCN1CCN(S(=O)(=O)N2CCC2)CC1=O ZINC000651793535 409389079 /nfs/dbraw/zinc/38/90/79/409389079.db2.gz XWWHSUZVZQSKIX-UHFFFAOYSA-N 0 3 290.389 -1.357 20 0 CAADHN CN(C)CCN1CCN(S(=O)(=O)NC2CC2)CC1=O ZINC000651793266 409389866 /nfs/dbraw/zinc/38/98/66/409389866.db2.gz DZZCEXPGPUUGDE-UHFFFAOYSA-N 0 3 290.389 -1.311 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)N[C@@H](CO)CN(C)C ZINC000647710232 409391352 /nfs/dbraw/zinc/39/13/52/409391352.db2.gz UUXQMISKHSFSAU-VXGBXAGGSA-N 0 3 273.377 -1.007 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)N[C@@H](CO)CN(C)C ZINC000647710230 409391535 /nfs/dbraw/zinc/39/15/35/409391535.db2.gz UUXQMISKHSFSAU-NWDGAFQWSA-N 0 3 273.377 -1.007 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N[C@H](CN)C(F)(F)F)C1=O ZINC000655513040 409391758 /nfs/dbraw/zinc/39/17/58/409391758.db2.gz OKDCNHIYEYBNAO-SCSAIBSYSA-N 0 3 296.205 -1.587 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000647710691 409392183 /nfs/dbraw/zinc/39/21/83/409392183.db2.gz KQTRGHLDDIKDBZ-QMMMGPOBSA-N 0 3 281.378 -1.647 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](CO)CN(C)C ZINC000647710543 409392328 /nfs/dbraw/zinc/39/23/28/409392328.db2.gz DXJSQCAANWNETN-SFYZADRCSA-N 0 3 267.351 -2.037 20 0 CAADHN CCN(CC)S(=O)(=O)CC(=O)N[C@@H](CO)CN(C)C ZINC000647710013 409392516 /nfs/dbraw/zinc/39/25/16/409392516.db2.gz HGTONJFWIONCIB-SNVBAGLBSA-N 0 3 295.405 -1.303 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C(C)(C)NS(C)(=O)=O ZINC000647710690 409392539 /nfs/dbraw/zinc/39/25/39/409392539.db2.gz KQTRGHLDDIKDBZ-MRVPVSSYSA-N 0 3 281.378 -1.647 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC000652166311 409393658 /nfs/dbraw/zinc/39/36/58/409393658.db2.gz OQQKPDVUVYZWHF-VIFPVBQESA-N 0 3 280.394 -1.209 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000652323537 409393884 /nfs/dbraw/zinc/39/38/84/409393884.db2.gz JQXXEZHOTKAMEM-AEJSXWLSSA-N 0 3 273.358 -1.159 20 0 CAADHN Cn1cnn(CC(=O)N[C@H](CN)C(F)(F)F)c1=O ZINC000655514122 409394014 /nfs/dbraw/zinc/39/40/14/409394014.db2.gz ADRPAQRNVJOZTI-RXMQYKEDSA-N 0 3 267.211 -1.412 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H](CN)C(F)(F)F ZINC000655514853 409394627 /nfs/dbraw/zinc/39/46/27/409394627.db2.gz DTMSDDLVCIRTQS-YFKPBYRVSA-N 0 3 277.268 -1.069 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H](CN)C(F)(F)F ZINC000655514852 409395152 /nfs/dbraw/zinc/39/51/52/409395152.db2.gz DTMSDDLVCIRTQS-RXMQYKEDSA-N 0 3 277.268 -1.069 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)N3)C[C@@H]21 ZINC000652400134 409396291 /nfs/dbraw/zinc/39/62/91/409396291.db2.gz ZECPXFXLNOPDCE-BBBLOLIVSA-N 0 3 273.358 -1.159 20 0 CAADHN C[NH+](C)C[C@](C)(O)CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354580131 409396860 /nfs/dbraw/zinc/39/68/60/409396860.db2.gz POIHIESFBGCTTA-LLVKDONJSA-N 0 3 265.321 -0.967 20 0 CAADHN CN1CCN(S(=O)(=O)N2CCCOCC2)[C@@H](CN)C1 ZINC000652366760 409397040 /nfs/dbraw/zinc/39/70/40/409397040.db2.gz NQSIQKDTVMZNCL-NSHDSACASA-N 0 3 292.405 -1.472 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)N3)C[C@@H]21 ZINC000652400135 409397178 /nfs/dbraw/zinc/39/71/78/409397178.db2.gz ZECPXFXLNOPDCE-UTLUCORTSA-N 0 3 273.358 -1.159 20 0 CAADHN COCCNCCNS(=O)(=O)N1CCCOCC1 ZINC000652369287 409397587 /nfs/dbraw/zinc/39/75/87/409397587.db2.gz VJEIIKCJOKHDOM-UHFFFAOYSA-N 0 3 281.378 -1.221 20 0 CAADHN CN(C)CCN1CCN(C(=O)C(=O)N2CCCC2)CC1=O ZINC000652386135 409397826 /nfs/dbraw/zinc/39/78/26/409397826.db2.gz BRHCMQATUNHSEX-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN CN1CCC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000048752709 409397838 /nfs/dbraw/zinc/39/78/38/409397838.db2.gz OYIUSHCWYFWTMC-SNVBAGLBSA-N 0 3 280.328 -1.243 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058050 409330585 /nfs/dbraw/zinc/33/05/85/409330585.db2.gz KPMJIRZEVIZGQA-BQBZGAKWSA-N 0 3 258.253 -1.646 20 0 CAADHN CN(CC[NH3+])C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000647088799 409330688 /nfs/dbraw/zinc/33/06/88/409330688.db2.gz XZAULRKENFALOF-UHFFFAOYSA-N 0 3 275.334 -1.885 20 0 CAADHN C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000647053493 409331207 /nfs/dbraw/zinc/33/12/07/409331207.db2.gz HMOLVALUACOTHU-JZYVYDRUSA-N 0 3 296.352 -1.063 20 0 CAADHN O=C(CN1CCOCC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655295351 409331857 /nfs/dbraw/zinc/33/18/57/409331857.db2.gz ZEDFMCINLSYXDJ-WDEREUQCSA-N 0 3 283.328 -1.877 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H](N)C(C)C ZINC000662641350 409331895 /nfs/dbraw/zinc/33/18/95/409331895.db2.gz XWQFIIFDIYPIHK-XHNCKOQMSA-N 0 3 264.347 -1.102 20 0 CAADHN O=C([C@H]1CCCC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294626 409331927 /nfs/dbraw/zinc/33/19/27/409331927.db2.gz DARDXMZMUMOKBK-HBNTYKKESA-N 0 3 267.329 -1.068 20 0 CAADHN CC[C@H](NC)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000662640866 409332206 /nfs/dbraw/zinc/33/22/06/409332206.db2.gz SDWGOTXHRZYWOE-XHNCKOQMSA-N 0 3 264.347 -1.087 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000653135912 409332426 /nfs/dbraw/zinc/33/24/26/409332426.db2.gz UUNLIJRDTQOZIQ-DJLDLDEBSA-N 0 3 261.347 -1.113 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNCC1CC1 ZINC000662637297 409332492 /nfs/dbraw/zinc/33/24/92/409332492.db2.gz DBJUKHMBFSXZJZ-ZJUUUORDSA-N 0 3 276.358 -1.086 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655297373 409332535 /nfs/dbraw/zinc/33/25/35/409332535.db2.gz XSMSPNRHQTXNPA-BFHYXJOUSA-N 0 3 294.399 -1.346 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H](N)C(C)C ZINC000662641347 409332576 /nfs/dbraw/zinc/33/25/76/409332576.db2.gz XWQFIIFDIYPIHK-HRDYMLBCSA-N 0 3 264.347 -1.102 20 0 CAADHN COCCNCC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000662687689 409332689 /nfs/dbraw/zinc/33/26/89/409332689.db2.gz IGKALXWLZPSXNB-SNVBAGLBSA-N 0 3 293.389 -1.285 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000662641344 409332699 /nfs/dbraw/zinc/33/26/99/409332699.db2.gz XWQFIIFDIYPIHK-CIUDSAMLSA-N 0 3 264.347 -1.102 20 0 CAADHN CCS(=O)(=O)NCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655295856 409333064 /nfs/dbraw/zinc/33/30/64/409333064.db2.gz DFENMWHHIHXIMA-VHSXEESVSA-N 0 3 291.373 -1.797 20 0 CAADHN CCNC(=O)CN(CC)C(=O)CN1CCNCC1 ZINC000037996546 409333291 /nfs/dbraw/zinc/33/32/91/409333291.db2.gz FGGGXFSPZPIQFS-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655297374 409333369 /nfs/dbraw/zinc/33/33/69/409333369.db2.gz XSMSPNRHQTXNPA-MJBXVCDLSA-N 0 3 294.399 -1.346 20 0 CAADHN COCCNCCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000653127696 409333742 /nfs/dbraw/zinc/33/37/42/409333742.db2.gz VZXNSUNLVOGYLH-UHFFFAOYSA-N 0 3 297.359 -1.267 20 0 CAADHN Cn1cnn(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1=O ZINC000655295385 409333901 /nfs/dbraw/zinc/33/39/01/409333901.db2.gz AKEWSYBGOQFKFR-VHSXEESVSA-N 0 3 281.316 -2.141 20 0 CAADHN O=C(CN1CCCNC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299496 409335732 /nfs/dbraw/zinc/33/57/32/409335732.db2.gz NZGKDCQXTNFIMR-WDEREUQCSA-N 0 3 282.344 -1.321 20 0 CAADHN O=C(NC[C@@H]1C[C@H](F)CN1)[C@H]1CCS(=O)(=O)N1 ZINC000653142726 409336157 /nfs/dbraw/zinc/33/61/57/409336157.db2.gz UZBRSTXLHJWOBY-BIIVOSGPSA-N 0 3 265.310 -1.506 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000662954306 409337080 /nfs/dbraw/zinc/33/70/80/409337080.db2.gz RSAQPFIRVMXCKW-GHMZBOCLSA-N 0 3 294.359 -1.068 20 0 CAADHN CCN1OC[C@H](N2CCN(CCN(C)C)C(=O)C2)C1=O ZINC000660912355 409337229 /nfs/dbraw/zinc/33/72/29/409337229.db2.gz HGSZPKCVXQSUPV-NSHDSACASA-N 0 3 284.360 -1.146 20 0 CAADHN C[C@@]1(C(N)=O)CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662939547 409337514 /nfs/dbraw/zinc/33/75/14/409337514.db2.gz AGMQNLTVOTUYPQ-JRZRUSQNSA-N 0 3 294.355 -1.340 20 0 CAADHN CN(C)CCN1CCN(C(=O)Cn2cnnn2)CC1=O ZINC000650300377 409337842 /nfs/dbraw/zinc/33/78/42/409337842.db2.gz AJSMEDQBSQJQOR-UHFFFAOYSA-N 0 3 281.320 -2.095 20 0 CAADHN CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)N(C)CCN)C1 ZINC000662960055 409337861 /nfs/dbraw/zinc/33/78/61/409337861.db2.gz LIXGWLPEFXLHGB-JTQLQIEISA-N 0 3 299.375 -1.382 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000662954309 409337936 /nfs/dbraw/zinc/33/79/36/409337936.db2.gz RSAQPFIRVMXCKW-MNOVXSKESA-N 0 3 294.359 -1.068 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2cnnn2C)CC1=O ZINC000650308351 409338126 /nfs/dbraw/zinc/33/81/26/409338126.db2.gz LVAHGQMOWZGKIP-UHFFFAOYSA-N 0 3 280.332 -1.339 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000662955219 409338277 /nfs/dbraw/zinc/33/82/77/409338277.db2.gz YYEIXMMUHZEWHI-RYUDHWBXSA-N 0 3 298.387 -1.275 20 0 CAADHN O=C(Cn1nc2n(c1=O)CCCC2)NC[C@H]1CNCCO1 ZINC000653163404 409341148 /nfs/dbraw/zinc/34/11/48/409341148.db2.gz XNQCEYWLRRXLIN-SNVBAGLBSA-N 0 3 295.343 -1.514 20 0 CAADHN CCNC(=O)CNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650579367 409341989 /nfs/dbraw/zinc/34/19/89/409341989.db2.gz AYFURDHEAKZGMJ-UHFFFAOYSA-N 0 3 299.375 -1.462 20 0 CAADHN CN(C)CCN1CCN(C(=O)NCC(=O)N(C)C)CC1=O ZINC000650577512 409342542 /nfs/dbraw/zinc/34/25/42/409342542.db2.gz BPYIJAJANMKPLL-UHFFFAOYSA-N 0 3 299.375 -1.510 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CN1CCNCC1 ZINC000037826761 409343474 /nfs/dbraw/zinc/34/34/74/409343474.db2.gz GSUSRZUEDUXVQR-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN CC(C)CN(CC(N)=O)C(=O)CN1CCNCC1 ZINC000037818990 409343516 /nfs/dbraw/zinc/34/35/16/409343516.db2.gz YBOPUYAWJFGUKF-UHFFFAOYSA-N 0 3 256.350 -1.139 20 0 CAADHN CN1CC[NH2+]C[C@@H]1C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000394393611 409344026 /nfs/dbraw/zinc/34/40/26/409344026.db2.gz AGWITFQGVLCHOJ-MRVPVSSYSA-N 0 3 259.335 -1.408 20 0 CAADHN CC(C)[C@@H](C(=O)NCCS(N)(=O)=O)N(C)C ZINC000120654506 409344193 /nfs/dbraw/zinc/34/41/93/409344193.db2.gz PZHMZAPIHBNJQM-QMMMGPOBSA-N 0 3 251.352 -1.023 20 0 CAADHN NC1(C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000237892909 409344709 /nfs/dbraw/zinc/34/47/09/409344709.db2.gz ZSEDWTYZBUVKCE-UHFFFAOYSA-N 0 3 266.345 -1.100 20 0 CAADHN CC(C)NS(=O)(=O)NC[C@H]1CNCCN1C ZINC000394400875 409344797 /nfs/dbraw/zinc/34/47/97/409344797.db2.gz LLTQOBPZZNREOA-SECBINFHSA-N 0 3 250.368 -1.278 20 0 CAADHN CC[C@H](N)C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000037800591 409345164 /nfs/dbraw/zinc/34/51/64/409345164.db2.gz IVSDSJAMNRFOKB-JTQLQIEISA-N 0 3 256.350 -1.044 20 0 CAADHN Cn1cc(CN2CC[C@@H](F)[C@H](N)C2)c(=O)n(C)c1=O ZINC000663505657 409345228 /nfs/dbraw/zinc/34/52/28/409345228.db2.gz DBTGNFWTUGIREV-NXEZZACHSA-N 0 3 270.308 -1.045 20 0 CAADHN CCN(CCOCCO)CCN1C(=O)CNC1=O ZINC000306016946 409345448 /nfs/dbraw/zinc/34/54/48/409345448.db2.gz LGPIDOAMNDQMCR-UHFFFAOYSA-N 0 3 259.306 -1.131 20 0 CAADHN COCCN(C)CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358702480 409345548 /nfs/dbraw/zinc/34/55/48/409345548.db2.gz FNCYVJYTMKBMRE-ZDUSSCGKSA-N 0 3 288.392 -1.070 20 0 CAADHN CN[C@@H](C)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000655445255 409345648 /nfs/dbraw/zinc/34/56/48/409345648.db2.gz ODRCBWAQOUVEBR-JTQLQIEISA-N 0 3 292.405 -1.712 20 0 CAADHN C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)CN)CC1 ZINC000237472965 409345667 /nfs/dbraw/zinc/34/56/67/409345667.db2.gz INPICRBZFQOWTD-VIFPVBQESA-N 0 3 254.334 -1.244 20 0 CAADHN CC[C@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000037808972 409345686 /nfs/dbraw/zinc/34/56/86/409345686.db2.gz GCEDXIJMFKHXBQ-VIFPVBQESA-N 0 3 278.378 -1.326 20 0 CAADHN CN(C)C(=O)N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000037819432 409345719 /nfs/dbraw/zinc/34/57/19/409345719.db2.gz UPLSAKVUAAIULY-UHFFFAOYSA-N 0 3 283.376 -1.283 20 0 CAADHN CN(CCN1CCCS1(=O)=O)C(=O)C1(N)CC1 ZINC000648197962 409347774 /nfs/dbraw/zinc/34/77/74/409347774.db2.gz SIZOAYZYFQUYII-UHFFFAOYSA-N 0 3 261.347 -1.028 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N2CCNCC2(C)C)c1=O ZINC000644073995 409349265 /nfs/dbraw/zinc/34/92/65/409349265.db2.gz VNUILGVSXLQDFY-UHFFFAOYSA-N 0 3 280.328 -1.243 20 0 CAADHN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000636256244 409350251 /nfs/dbraw/zinc/35/02/51/409350251.db2.gz RRESRRHEQZYRTL-ZNSHCXBVSA-N 0 3 283.328 -1.703 20 0 CAADHN CCOC(=O)CC[C@@H](O)CNCCS(=O)(=O)NC ZINC000570711134 409350404 /nfs/dbraw/zinc/35/04/04/409350404.db2.gz ITHRTMCDGFUTFU-SECBINFHSA-N 0 3 282.362 -1.171 20 0 CAADHN CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@H]1CNCCO1 ZINC000644161573 409350630 /nfs/dbraw/zinc/35/06/30/409350630.db2.gz XMQWVFBPIQQQCR-ZJUUUORDSA-N 0 3 291.373 -1.485 20 0 CAADHN CCOC(=O)CC[C@H](O)CNCCS(=O)(=O)NC ZINC000570711135 409350997 /nfs/dbraw/zinc/35/09/97/409350997.db2.gz ITHRTMCDGFUTFU-VIFPVBQESA-N 0 3 282.362 -1.171 20 0 CAADHN Cn1cnn(CC(=O)NC[C@@H]2C[C@H](F)CN2)c1=O ZINC000644142336 409351025 /nfs/dbraw/zinc/35/10/25/409351025.db2.gz NJQNJMDSJBONPI-YUMQZZPRSA-N 0 3 257.269 -1.602 20 0 CAADHN CN(Cc1ccccc1)C[C@@H](O)CNC[C@@H](O)C(N)=O ZINC000647535388 409351739 /nfs/dbraw/zinc/35/17/39/409351739.db2.gz FYGXYWGWLLSOBH-QWHCGFSZSA-N 0 3 281.356 -1.085 20 0 CAADHN CN(Cc1ccccc1)C[C@@H](O)CNC[C@H](O)C(N)=O ZINC000647535389 409352002 /nfs/dbraw/zinc/35/20/02/409352002.db2.gz FYGXYWGWLLSOBH-STQMWFEESA-N 0 3 281.356 -1.085 20 0 CAADHN CC(=O)NCCN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000647510668 409352402 /nfs/dbraw/zinc/35/24/02/409352402.db2.gz VCOCQXLSXZHOOD-NSHDSACASA-N 0 3 299.375 -2.318 20 0 CAADHN COCCOCCN1C(=O)C[C@H](NC[C@@H](C)O)C1=O ZINC000653282928 409352584 /nfs/dbraw/zinc/35/25/84/409352584.db2.gz OKFBHFAITAQLKO-ZJUUUORDSA-N 0 3 274.317 -1.253 20 0 CAADHN CN(C)CCN1C(=O)C[C@@H](N2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653281926 409352770 /nfs/dbraw/zinc/35/27/70/409352770.db2.gz FSZWADSGYVAGLO-BBBLOLIVSA-N 0 3 271.317 -2.287 20 0 CAADHN C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N(C)CCN(C)C ZINC000647574491 409352865 /nfs/dbraw/zinc/35/28/65/409352865.db2.gz PAWZJUHOOUBFRR-SECBINFHSA-N 0 3 270.333 -1.347 20 0 CAADHN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N(C)CCN(C)C ZINC000647574492 409353069 /nfs/dbraw/zinc/35/30/69/409353069.db2.gz PAWZJUHOOUBFRR-VIFPVBQESA-N 0 3 270.333 -1.347 20 0 CAADHN CC1(C)C(=O)NC(=O)N1CC(=O)N1CCOC2(CNC2)C1 ZINC000664725275 409353267 /nfs/dbraw/zinc/35/32/67/409353267.db2.gz QZUGIXXMQRHDIX-UHFFFAOYSA-N 0 3 296.327 -1.482 20 0 CAADHN CN(C)CCN1CCN([C@@H]2CC(=O)NC2=O)CC1=O ZINC000653282225 409353278 /nfs/dbraw/zinc/35/32/78/409353278.db2.gz QWBPVUUCZMEAPO-SECBINFHSA-N 0 3 268.317 -1.893 20 0 CAADHN COCCOCCN1C(=O)C[C@@H](NC[C@@H](C)O)C1=O ZINC000653282925 409353579 /nfs/dbraw/zinc/35/35/79/409353579.db2.gz OKFBHFAITAQLKO-NXEZZACHSA-N 0 3 274.317 -1.253 20 0 CAADHN COCCOCCN1C(=O)C[C@H](N[C@H](C)CO)C1=O ZINC000653285696 409355075 /nfs/dbraw/zinc/35/50/75/409355075.db2.gz VXYKWAZFEIKTNE-ZJUUUORDSA-N 0 3 274.317 -1.253 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000644822692 409399708 /nfs/dbraw/zinc/39/97/08/409399708.db2.gz WHBPLDIMEOFMFD-IUCAKERBSA-N 0 3 294.311 -1.431 20 0 CAADHN COCCNCC(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000105988340 409459179 /nfs/dbraw/zinc/45/91/79/409459179.db2.gz TURPIXZILGAJIW-UHFFFAOYSA-N 0 3 279.362 -1.674 20 0 CAADHN CN(CCCS(N)(=O)=O)C[C@H](O)CN1CCOCC1 ZINC000336802449 409403130 /nfs/dbraw/zinc/40/31/30/409403130.db2.gz UNQUUYBSFCTBRQ-NSHDSACASA-N 0 3 295.405 -1.710 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N(C)CCN(C)C1CC1)C(N)=O ZINC000354080993 409403163 /nfs/dbraw/zinc/40/31/63/409403163.db2.gz AYIZKGWWRMYNMS-NSHDSACASA-N 0 3 284.360 -1.081 20 0 CAADHN CN(CCCN1C(=O)CNC1=O)CCOCCO ZINC000336785717 409403779 /nfs/dbraw/zinc/40/37/79/409403779.db2.gz FRSUXIVVMVQYIA-UHFFFAOYSA-N 0 3 259.306 -1.131 20 0 CAADHN CNC(=O)CCN(C)C(=O)CNC(=O)[C@H](N)C(C)C ZINC000336806798 409403795 /nfs/dbraw/zinc/40/37/95/409403795.db2.gz PROQQEPTNOWUJZ-LLVKDONJSA-N 0 3 272.349 -1.320 20 0 CAADHN CC(C)NC(=O)CNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336804455 409404471 /nfs/dbraw/zinc/40/44/71/409404471.db2.gz CKUPKGFHKXTXBP-LLVKDONJSA-N 0 3 272.349 -1.273 20 0 CAADHN C[C@@H]1CN(CCCNC(=O)[C@@H](N)CC(N)=O)C[C@H](C)O1 ZINC000353045137 409460000 /nfs/dbraw/zinc/46/00/00/409460000.db2.gz RNEUQPDMWVFVRD-AXFHLTTASA-N 0 3 286.376 -1.195 20 0 CAADHN CN1CCN(C(=O)CCN(CCO)CCCO)CC1 ZINC000338310792 409405191 /nfs/dbraw/zinc/40/51/91/409405191.db2.gz BUFFCEZMEIFQKD-UHFFFAOYSA-N 0 3 273.377 -1.173 20 0 CAADHN COCCN(C)CCNC(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000366008822 409405323 /nfs/dbraw/zinc/40/53/23/409405323.db2.gz UJSYBCGJLGRWIF-LLVKDONJSA-N 0 3 299.375 -1.016 20 0 CAADHN CCN(CCNC(=O)CNS(=O)(=O)NC)C1CC1 ZINC000339275589 409405763 /nfs/dbraw/zinc/40/57/63/409405763.db2.gz PLKAKWTVEHXSAS-UHFFFAOYSA-N 0 3 278.378 -1.359 20 0 CAADHN CO[C@H](CN)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O ZINC000353019023 409460099 /nfs/dbraw/zinc/46/00/99/409460099.db2.gz ZNQPYDVXYJGDJT-OPRDCNLKSA-N 0 3 293.389 -1.206 20 0 CAADHN C[C@H](O)CCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000644927569 409408009 /nfs/dbraw/zinc/40/80/09/409408009.db2.gz JQTJRCDXTLANML-TUAOUCFPSA-N 0 3 292.401 -1.155 20 0 CAADHN C[C@H](O)CCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000644927564 409409085 /nfs/dbraw/zinc/40/90/85/409409085.db2.gz JQTJRCDXTLANML-QJPTWQEYSA-N 0 3 292.401 -1.155 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)C(=O)CNC1CC1 ZINC000182821621 409410899 /nfs/dbraw/zinc/41/08/99/409410899.db2.gz PRZWIMCIPWQVGA-LBPRGKRZSA-N 0 3 271.361 -1.110 20 0 CAADHN CCN1C[C@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)CC1=O ZINC000652715009 409410948 /nfs/dbraw/zinc/41/09/48/409410948.db2.gz XLRGJJIIJFKKRI-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCNCC1(C)C ZINC000647840640 409411421 /nfs/dbraw/zinc/41/14/21/409411421.db2.gz OUTWXMNLDGIHGY-UHFFFAOYSA-N 0 3 270.333 -1.551 20 0 CAADHN CN1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cnnn1 ZINC000647821400 409412753 /nfs/dbraw/zinc/41/27/53/409412753.db2.gz GXXAYRNAYXKOQE-GHMZBOCLSA-N 0 3 280.332 -1.005 20 0 CAADHN CC1(C)CNCCN1C(=O)CN1CC(=O)NC1=O ZINC000647840921 409413026 /nfs/dbraw/zinc/41/30/26/409413026.db2.gz MTYGMBIGFHKXQU-UHFFFAOYSA-N 0 3 254.290 -1.251 20 0 CAADHN CC(C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O)S(C)(=O)=O ZINC000265208712 409415774 /nfs/dbraw/zinc/41/57/74/409415774.db2.gz FGAYTEWFENVMEQ-HTRCEHHLSA-N 0 3 288.325 -1.174 20 0 CAADHN CN1CC[C@@H](C(=O)N2CCN(C)C[C@@H]2CN)S1(=O)=O ZINC000647874161 409415860 /nfs/dbraw/zinc/41/58/60/409415860.db2.gz ATGPDKPTSLZWNE-UWVGGRQHSA-N 0 3 290.389 -1.878 20 0 CAADHN CN(C)CCN1CCN(C(=O)C(=O)NC2CCC2)CC1=O ZINC000653373208 409417903 /nfs/dbraw/zinc/41/79/03/409417903.db2.gz HCERKUFJFCXKTC-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CN(C)CCO2)CC1=O ZINC000652734744 409417926 /nfs/dbraw/zinc/41/79/26/409417926.db2.gz UXQOYTZXLBEWOW-GFCCVEGCSA-N 0 3 298.387 -1.451 20 0 CAADHN CN(C)CCN1CCN(C(=O)CC(N)=O)CC1=O ZINC000652735336 409417988 /nfs/dbraw/zinc/41/79/88/409417988.db2.gz HKWGACILPMYQFQ-UHFFFAOYSA-N 0 3 256.306 -1.906 20 0 CAADHN CN(C)CCN1CCN(C(=O)C2(C(N)=O)CC2)CC1=O ZINC000652735321 409418026 /nfs/dbraw/zinc/41/80/26/409418026.db2.gz HCVQHMMDAYXNDO-UHFFFAOYSA-N 0 3 282.344 -1.516 20 0 CAADHN COCCNCCNC(=O)NC[C@H](C)S(C)(=O)=O ZINC000659527268 409418119 /nfs/dbraw/zinc/41/81/19/409418119.db2.gz KIUFXJTZAUORPO-VIFPVBQESA-N 0 3 281.378 -1.045 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2cn[nH]n2)CC1=O ZINC000652735651 409418285 /nfs/dbraw/zinc/41/82/85/409418285.db2.gz PNSBZOOKCACJST-UHFFFAOYSA-N 0 3 266.305 -1.349 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCN(C)C2=O)CC1=O ZINC000652734441 409418344 /nfs/dbraw/zinc/41/83/44/409418344.db2.gz KMQUUJDSHMRHHV-LLVKDONJSA-N 0 3 296.371 -1.303 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000652737381 409418508 /nfs/dbraw/zinc/41/85/08/409418508.db2.gz IOIRVCFXBDUGCN-NSHDSACASA-N 0 3 295.343 -1.263 20 0 CAADHN C[C@@H](CNC(=O)NC(CO)CO)CN1CCN(C)CC1 ZINC000341241287 409420160 /nfs/dbraw/zinc/42/01/60/409420160.db2.gz QYRRCCFTUVXKGX-NSHDSACASA-N 0 3 288.392 -1.478 20 0 CAADHN CN(CC(=O)N1CCOCC1)C(=O)COC1(C)CNC1 ZINC000647969368 409421420 /nfs/dbraw/zinc/42/14/20/409421420.db2.gz WLLMMPKXNRWFPU-UHFFFAOYSA-N 0 3 285.344 -1.318 20 0 CAADHN CC(C(=O)N(C)[C@H]1COC[C@@H]1O)S(C)(=O)=O ZINC000342348172 409421549 /nfs/dbraw/zinc/42/15/49/409421549.db2.gz SJRYWTAXZIVJGE-CSMHCCOUSA-N 0 3 251.304 -1.362 20 0 CAADHN COC[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000652782513 409422525 /nfs/dbraw/zinc/42/25/25/409422525.db2.gz LNBYRGSTMODIGX-YNEHKIRRSA-N 0 3 283.372 -1.016 20 0 CAADHN CN(C[C@@H](O)CN1CCN2C(=O)C(=O)NC[C@H]2C1)C1CC1 ZINC000328634942 409423073 /nfs/dbraw/zinc/42/30/73/409423073.db2.gz BUUCHRYSQQLYGX-NWDGAFQWSA-N 0 3 296.371 -1.916 20 0 CAADHN CCN(CCNC(=O)[C@H](CO)NC(N)=O)C1CC1 ZINC000345403027 409425675 /nfs/dbraw/zinc/42/56/75/409425675.db2.gz AQNHIIWBAWUJIM-VIFPVBQESA-N 0 3 258.322 -1.384 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(C)C2)C[C@@H]1O ZINC000647996117 409425774 /nfs/dbraw/zinc/42/57/74/409425774.db2.gz QDCQVFAICYKSIJ-UTLUCORTSA-N 0 3 270.333 -1.467 20 0 CAADHN COC[C@H]1C[C@@H](O)CN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000652822212 409426057 /nfs/dbraw/zinc/42/60/57/409426057.db2.gz LNBYRGSTMODIGX-JHJVBQTASA-N 0 3 283.372 -1.016 20 0 CAADHN COC[C@H]1C[C@@H](O)CN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000652822213 409427501 /nfs/dbraw/zinc/42/75/01/409427501.db2.gz LNBYRGSTMODIGX-UPJWGTAASA-N 0 3 283.372 -1.016 20 0 CAADHN CCN(CCO)CCNC(=O)NCCN1CCOCC1 ZINC000345784476 409429371 /nfs/dbraw/zinc/42/93/71/409429371.db2.gz YPSXLYGLHUAITD-UHFFFAOYSA-N 0 3 288.392 -1.068 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC(=O)N(C)C2)CC1=O ZINC000345763350 409429614 /nfs/dbraw/zinc/42/96/14/409429614.db2.gz IZQGRODQDCCRDH-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCc2nnc[nH]2)CC1=O ZINC000345736231 409430522 /nfs/dbraw/zinc/43/05/22/409430522.db2.gz QIBHQRILAAGYBV-JTQLQIEISA-N 0 3 294.359 -1.127 20 0 CAADHN COCCN(C)CCCNC(=O)Cn1cnnn1 ZINC000345821616 409430835 /nfs/dbraw/zinc/43/08/35/409430835.db2.gz UHERHEKIOHZQOI-UHFFFAOYSA-N 0 3 256.310 -1.242 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CC(=O)N(C)C2)CC1=O ZINC000345763349 409430859 /nfs/dbraw/zinc/43/08/59/409430859.db2.gz IZQGRODQDCCRDH-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN COC(=O)CNC(=O)CCN1CCC[C@H]1C(N)=O ZINC000354141108 409460927 /nfs/dbraw/zinc/46/09/27/409460927.db2.gz CJHIOXSFQINEIC-QMMMGPOBSA-N 0 3 257.290 -1.385 20 0 CAADHN CN1CCC(C(=O)N2CCN(S(N)(=O)=O)CC2)CC1 ZINC000345939843 409433199 /nfs/dbraw/zinc/43/31/99/409433199.db2.gz GFMNKWSTHCBUAQ-UHFFFAOYSA-N 0 3 290.389 -1.324 20 0 CAADHN CNC(=O)[C@@H](C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000346820931 409435500 /nfs/dbraw/zinc/43/55/00/409435500.db2.gz IXSXTXYLWAPXJE-ZJUUUORDSA-N 0 3 254.334 -1.373 20 0 CAADHN CNC(=O)[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000346811905 409435699 /nfs/dbraw/zinc/43/56/99/409435699.db2.gz SQZZLXGGRKBBFN-ZJUUUORDSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)[C@H](C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000346820928 409435830 /nfs/dbraw/zinc/43/58/30/409435830.db2.gz IXSXTXYLWAPXJE-VHSXEESVSA-N 0 3 254.334 -1.373 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1COCCN1C ZINC000346378306 409436776 /nfs/dbraw/zinc/43/67/76/409436776.db2.gz DBGZSFOXPLFKHQ-LLVKDONJSA-N 0 3 259.350 -1.253 20 0 CAADHN CNC(=O)[C@@H](C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000346820924 409437537 /nfs/dbraw/zinc/43/75/37/409437537.db2.gz IXSXTXYLWAPXJE-NXEZZACHSA-N 0 3 254.334 -1.373 20 0 CAADHN COC(=O)CCNC(=O)CNC(C)(C)CC(N)=O ZINC000348873659 409440574 /nfs/dbraw/zinc/44/05/74/409440574.db2.gz GDCZUUVUQJERBZ-UHFFFAOYSA-N 0 3 259.306 -1.091 20 0 CAADHN COCCNC(=O)CNC(=O)CCOC1CNC1 ZINC000349032208 409441581 /nfs/dbraw/zinc/44/15/81/409441581.db2.gz XASJEPFUTMCHDM-UHFFFAOYSA-N 0 3 259.306 -1.756 20 0 CAADHN CCS(=O)(=O)NCCCNC(=O)CCOC1CNC1 ZINC000349060750 409441756 /nfs/dbraw/zinc/44/17/56/409441756.db2.gz VTFAESJYHOYBIJ-UHFFFAOYSA-N 0 3 293.389 -1.190 20 0 CAADHN COCC(=O)N1CCN(C(=O)CCOC2CNC2)CC1 ZINC000349030737 409442022 /nfs/dbraw/zinc/44/20/22/409442022.db2.gz SOFKHVJKBAECCO-UHFFFAOYSA-N 0 3 285.344 -1.318 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CNC(=O)C2)CC1=O ZINC000354150777 409462322 /nfs/dbraw/zinc/46/23/22/409462322.db2.gz USZGQPYAKZJZPZ-UWVGGRQHSA-N 0 3 282.344 -1.599 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000349023131 409442239 /nfs/dbraw/zinc/44/22/39/409442239.db2.gz BBNAHFKOPQVZIA-VIFPVBQESA-N 0 3 291.373 -1.485 20 0 CAADHN CCC(CC)(NC(=O)C1CN(CCC(N)=O)C1)C(N)=O ZINC000349071565 409442906 /nfs/dbraw/zinc/44/29/06/409442906.db2.gz ASVYNZFORGLKIV-UHFFFAOYSA-N 0 3 284.360 -1.046 20 0 CAADHN COCCNCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000349247471 409443116 /nfs/dbraw/zinc/44/31/16/409443116.db2.gz NTTAPFMCJLHJFD-QMMMGPOBSA-N 0 3 267.351 -1.724 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)CCOC1CNC1 ZINC000349055635 409443753 /nfs/dbraw/zinc/44/37/53/409443753.db2.gz IUMVQNRQBMNJBK-UHFFFAOYSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)NCCNS(C)(=O)=O ZINC000350132086 409445246 /nfs/dbraw/zinc/44/52/46/409445246.db2.gz YCDVQAKSYAIPIM-QMMMGPOBSA-N 0 3 266.367 -1.215 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@]2(CO)CCOC2)CC1=O ZINC000349558488 409445432 /nfs/dbraw/zinc/44/54/32/409445432.db2.gz VYKCHCKGBMZLLX-RISCZKNCSA-N 0 3 299.371 -1.336 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@]2(CO)CCOC2)CC1=O ZINC000349558489 409445875 /nfs/dbraw/zinc/44/58/75/409445875.db2.gz VYKCHCKGBMZLLX-SMDDNHRTSA-N 0 3 299.371 -1.336 20 0 CAADHN CCNS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519707241 409446283 /nfs/dbraw/zinc/44/62/83/409446283.db2.gz LYVPSENHPVVWDL-HTQZYQBOSA-N 0 3 262.335 -1.916 20 0 CAADHN CC1(OCC(=O)N2CCO[C@H](C(N)=O)C2)CNC1 ZINC000648048485 409446802 /nfs/dbraw/zinc/44/68/02/409446802.db2.gz ITCQCDLQYMWBTM-QMMMGPOBSA-N 0 3 257.290 -1.922 20 0 CAADHN COCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519764826 409447412 /nfs/dbraw/zinc/44/74/12/409447412.db2.gz BVAZRWRHFLONFJ-NXEZZACHSA-N 0 3 298.343 -2.091 20 0 CAADHN COCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000519765041 409447562 /nfs/dbraw/zinc/44/75/62/409447562.db2.gz BVAZRWRHFLONFJ-ZJUUUORDSA-N 0 3 298.343 -2.091 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCO1 ZINC000648048415 409447901 /nfs/dbraw/zinc/44/79/01/409447901.db2.gz BPQVIPDUVPHCGH-HTQZYQBOSA-N 0 3 277.271 -1.056 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000519764009 409448140 /nfs/dbraw/zinc/44/81/40/409448140.db2.gz IDYRFTWCMPCUJQ-MNOVXSKESA-N 0 3 268.361 -1.044 20 0 CAADHN CCN(CCO)CCNC[C@@H](O)CN1CCOCC1 ZINC000519614420 409448291 /nfs/dbraw/zinc/44/82/91/409448291.db2.gz YFFKIJMIRRQQFL-CYBMUJFWSA-N 0 3 275.393 -1.417 20 0 CAADHN C[C@@H](O)C(=O)N1CCN(C[C@@H](O)CN(C)C2CC2)CC1 ZINC000351710310 409449399 /nfs/dbraw/zinc/44/93/99/409449399.db2.gz BTQLKVBFBMMKFK-YPMHNXCESA-N 0 3 285.388 -1.034 20 0 CAADHN CN1CCN(C(=O)CN2CCn3c(n[nH]c3=O)C2)CC1 ZINC000329609705 409449509 /nfs/dbraw/zinc/44/95/09/409449509.db2.gz NMRUXKBYIMNQTN-UHFFFAOYSA-N 0 3 280.332 -1.427 20 0 CAADHN CC[C@@](C)(NCCC(=O)NCC(=O)OC)C(N)=O ZINC000351223171 409449564 /nfs/dbraw/zinc/44/95/64/409449564.db2.gz HKWBHEGTZPJQFC-LLVKDONJSA-N 0 3 259.306 -1.091 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C[C@@H](O)CN(C)C1CC1 ZINC000351387293 409450335 /nfs/dbraw/zinc/45/03/35/409450335.db2.gz PFRNQAVUTZUPPL-RYUDHWBXSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@H](O)C(=O)N1CCN(C[C@@H](O)CN(C)C2CC2)CC1 ZINC000351710307 409450894 /nfs/dbraw/zinc/45/08/94/409450894.db2.gz BTQLKVBFBMMKFK-AAEUAGOBSA-N 0 3 285.388 -1.034 20 0 CAADHN C[NH2+]C[C@H](C)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000659641627 409456284 /nfs/dbraw/zinc/45/62/84/409456284.db2.gz SVQHQAPKVSBXTQ-YUMQZZPRSA-N 0 3 269.305 -1.460 20 0 CAADHN C[NH2+]C[C@H](C)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000659641625 409456323 /nfs/dbraw/zinc/45/63/23/409456323.db2.gz SVQHQAPKVSBXTQ-JGVFFNPUSA-N 0 3 269.305 -1.460 20 0 CAADHN NC(=O)NC(=O)CCNC(=O)C(N)C(F)(F)F ZINC000353010793 409456518 /nfs/dbraw/zinc/45/65/18/409456518.db2.gz JOOYBLUJMLKHKB-SCSAIBSYSA-N 0 3 256.184 -1.423 20 0 CAADHN NC(C(=O)NCCN1C(=O)CNC1=O)C(F)(F)F ZINC000352969275 409457269 /nfs/dbraw/zinc/45/72/69/409457269.db2.gz YIMWHKGZOSNBBR-RXMQYKEDSA-N 0 3 268.195 -1.456 20 0 CAADHN CO[C@@H](CN)C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC000352923291 409457539 /nfs/dbraw/zinc/45/75/39/409457539.db2.gz SKNICXOCRLPZLT-QWRGUYRKSA-N 0 3 287.360 -1.040 20 0 CAADHN CN(CC(=O)N1CCNC(=O)C1)C1(CCO)CCOCC1 ZINC000352999197 409457761 /nfs/dbraw/zinc/45/77/61/409457761.db2.gz UIVAAJGIKAXETG-UHFFFAOYSA-N 0 3 299.371 -1.192 20 0 CAADHN C[C@@H]1CN(CCCNC(=O)[C@H](N)CC(N)=O)C[C@@H](C)O1 ZINC000353045146 409458262 /nfs/dbraw/zinc/45/82/62/409458262.db2.gz RNEUQPDMWVFVRD-GMTAPVOTSA-N 0 3 286.376 -1.195 20 0 CAADHN COCCNCCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648106120 409458327 /nfs/dbraw/zinc/45/83/27/409458327.db2.gz BPIBKEGQSDXDCW-VIFPVBQESA-N 0 3 279.362 -1.628 20 0 CAADHN C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000362890536 409467779 /nfs/dbraw/zinc/46/77/79/409467779.db2.gz GNNAUGWHUKZSNR-BBBLOLIVSA-N 0 3 280.328 -1.053 20 0 CAADHN C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000362890536 409467784 /nfs/dbraw/zinc/46/77/84/409467784.db2.gz GNNAUGWHUKZSNR-BBBLOLIVSA-N 0 3 280.328 -1.053 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001195648407 782011677 /nfs/dbraw/zinc/01/16/77/782011677.db2.gz UGOLAMIHFXWQCA-GHMZBOCLSA-N 0 3 296.327 -1.419 20 0 CAADHN N[C@@H]1CN(C(=O)C(=O)NCCn2ccnc2)CC[C@H]1F ZINC000659677802 409468459 /nfs/dbraw/zinc/46/84/59/409468459.db2.gz VFZPQTDGRIKZAX-NXEZZACHSA-N 0 3 283.307 -1.103 20 0 CAADHN CCN1CC[C@H]2OCCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC000355297771 409464631 /nfs/dbraw/zinc/46/46/31/409464631.db2.gz HLUZNRRCZQFJPI-NXEZZACHSA-N 0 3 270.333 -1.024 20 0 CAADHN CN(C)CCOCCNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000355764602 409466017 /nfs/dbraw/zinc/46/60/17/409466017.db2.gz HQXWMYLUZWZHBV-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN COCCN(C)C[C@@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000653562988 409474317 /nfs/dbraw/zinc/47/43/17/409474317.db2.gz SVACZNCSVOWWHU-GRYCIOLGSA-N 0 3 262.350 -1.647 20 0 CAADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000659717854 409472379 /nfs/dbraw/zinc/47/23/79/409472379.db2.gz KNFOJOWTPLVNSL-BDAKNGLRSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000659717300 409472399 /nfs/dbraw/zinc/47/23/99/409472399.db2.gz GGRRLWHKMYEELL-XHNCKOQMSA-N 0 3 298.343 -1.780 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](CN)C1 ZINC000653054967 409472608 /nfs/dbraw/zinc/47/26/08/409472608.db2.gz DIZJUEZZVFLDIZ-IUCAKERBSA-N 0 3 276.362 -2.221 20 0 CAADHN CN(C[C@H]1COCCO1)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000659718156 409473087 /nfs/dbraw/zinc/47/30/87/409473087.db2.gz ODZQCWPNHOQQSP-WDEREUQCSA-N 0 3 285.344 -1.286 20 0 CAADHN CCN1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC000653035436 409473112 /nfs/dbraw/zinc/47/31/12/409473112.db2.gz TXYNKFTWYFAORM-QMMMGPOBSA-N 0 3 264.351 -1.749 20 0 CAADHN CC[C@H](N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000645700219 409474082 /nfs/dbraw/zinc/47/40/82/409474082.db2.gz IVOFELFIXPKBHH-JTQLQIEISA-N 0 3 292.405 -1.583 20 0 CAADHN CN1CCC[C@H](NC(=O)CN2CCNCC2=O)C1 ZINC000645685256 409474197 /nfs/dbraw/zinc/47/41/97/409474197.db2.gz XZJGRXNWORGRTF-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN O=C(NCCN1CCOCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000653478861 409468843 /nfs/dbraw/zinc/46/88/43/409468843.db2.gz SWRFQUHZEAUWDH-QWHCGFSZSA-N 0 3 298.387 -1.221 20 0 CAADHN CC(C)NCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000659269490 409468871 /nfs/dbraw/zinc/46/88/71/409468871.db2.gz ABCRKXVGTXPYQS-UHFFFAOYSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000418811704 409476129 /nfs/dbraw/zinc/47/61/29/409476129.db2.gz WCEGSLTWGQCLQY-NXEZZACHSA-N 0 3 284.360 -1.177 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCNCC1)C1CC1 ZINC000419110597 409476258 /nfs/dbraw/zinc/47/62/58/409476258.db2.gz SMLARVBJAQCCJY-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC(=O)N1C ZINC000420063429 409476804 /nfs/dbraw/zinc/47/68/04/409476804.db2.gz NHKUXWWFEAKGKZ-SCZZXKLOSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000419200372 409477255 /nfs/dbraw/zinc/47/72/55/409477255.db2.gz FEYQEWZCKGPHQH-YTWAJWBKSA-N 0 3 296.371 -1.083 20 0 CAADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420032012 409477380 /nfs/dbraw/zinc/47/73/80/409477380.db2.gz SSHRFGGLNSRGHP-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CN1CC[C@@H]2OCCN(C(=O)[C@H]3COCCN3)[C@H]2C1 ZINC000424188707 409478908 /nfs/dbraw/zinc/47/89/08/409478908.db2.gz YUCZKXJMGBXUOA-WOPDTQHZSA-N 0 3 269.345 -1.094 20 0 CAADHN CC(C)NC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000516088407 409479019 /nfs/dbraw/zinc/47/90/19/409479019.db2.gz FNPPVZNJMIPDGG-NXEZZACHSA-N 0 3 254.334 -1.245 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)C[C@@H]1OC ZINC000423637229 409479077 /nfs/dbraw/zinc/47/90/77/409479077.db2.gz BXSQYLHGSHXZBU-MXWKQRLJSA-N 0 3 285.344 -1.192 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC(=O)N1 ZINC000423586448 409479363 /nfs/dbraw/zinc/47/93/63/409479363.db2.gz BGVUKJPEXAEWOX-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000423706637 409479458 /nfs/dbraw/zinc/47/94/58/409479458.db2.gz RFEPMWMXNBYHQL-IVZWLZJFSA-N 0 3 273.333 -1.600 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCOC[C@H]1C1CC1 ZINC000515187325 409479889 /nfs/dbraw/zinc/47/98/89/409479889.db2.gz ZFJQCDLLVDSLID-JTQLQIEISA-N 0 3 253.302 -1.288 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCNC(=O)C1 ZINC000422103777 409479934 /nfs/dbraw/zinc/47/99/34/409479934.db2.gz ODJGAVWXOKWYST-JTQLQIEISA-N 0 3 282.344 -1.503 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCNCC3)C[C@@H]21 ZINC000423627997 409480099 /nfs/dbraw/zinc/48/00/99/409480099.db2.gz VPBKJXFRJRPQJG-MNOVXSKESA-N 0 3 266.345 -1.419 20 0 CAADHN O=C(CNC[C@H]1CCCO1)N1CCO[C@H](CO)C1 ZINC000430544795 409480335 /nfs/dbraw/zinc/48/03/35/409480335.db2.gz UVJVIMWVLVGHTK-MNOVXSKESA-N 0 3 258.318 -1.025 20 0 CAADHN COCCN(C)CCNC(=O)Cn1cnc(N)n1 ZINC000061374637 409474895 /nfs/dbraw/zinc/47/48/95/409474895.db2.gz HNGFUKKWUHJSET-UHFFFAOYSA-N 0 3 256.310 -1.445 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000659719418 409474954 /nfs/dbraw/zinc/47/49/54/409474954.db2.gz XBTLQLZHUATISA-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CC[C@@H](NC(N)=O)C1 ZINC000653594200 409474985 /nfs/dbraw/zinc/47/49/85/409474985.db2.gz CULVNCQYEWGJJC-GHMZBOCLSA-N 0 3 274.365 -1.332 20 0 CAADHN CN(C)[C@H]1CN(C[C@@H](O)CN2CCCC2=O)C[C@@H]1O ZINC000653687135 409475364 /nfs/dbraw/zinc/47/53/64/409475364.db2.gz ADHCKUYMFSIZHX-WOPDTQHZSA-N 0 3 271.361 -1.424 20 0 CAADHN CN(C)C[C@]1(O)CCCN(C(=O)CN2CCOCC2=O)C1 ZINC000646023500 409483343 /nfs/dbraw/zinc/48/33/43/409483343.db2.gz WVYWHFFRCVRTMU-CQSZACIVSA-N 0 3 299.371 -1.240 20 0 CAADHN CC[C@H](N)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000646115569 409483819 /nfs/dbraw/zinc/48/38/19/409483819.db2.gz UPKWUQBFCKGQHR-VIFPVBQESA-N 0 3 278.378 -1.844 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)CNC2CC2)C1 ZINC000646019908 409484051 /nfs/dbraw/zinc/48/40/51/409484051.db2.gz OSKNRGPMMJGSNV-SECBINFHSA-N 0 3 261.347 -1.112 20 0 CAADHN C[NH+](C)C1CC(NC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000646108518 409484299 /nfs/dbraw/zinc/48/42/99/409484299.db2.gz FLOLCLRDNXYGBI-UHFFFAOYSA-N 0 3 254.290 -1.253 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C(=O)CNC2CC2)C1 ZINC000646019909 409484437 /nfs/dbraw/zinc/48/44/37/409484437.db2.gz OSKNRGPMMJGSNV-VIFPVBQESA-N 0 3 261.347 -1.112 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCSc1nnnn1C ZINC000646210607 409485193 /nfs/dbraw/zinc/48/51/93/409485193.db2.gz AHUNTYYPLJNJKF-QMMMGPOBSA-N 0 3 288.377 -1.269 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)Cn1ccccc1=O ZINC000646208658 409485236 /nfs/dbraw/zinc/48/52/36/409485236.db2.gz DRLNSSZZSHFLBF-SNVBAGLBSA-N 0 3 253.302 -1.113 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000659341793 409485279 /nfs/dbraw/zinc/48/52/79/409485279.db2.gz LBGODYZIGQIOFH-YIZRAAEISA-N 0 3 276.358 -1.087 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1CCOCC1=O ZINC000646209613 409485557 /nfs/dbraw/zinc/48/55/57/409485557.db2.gz MRUVTTDXIJKGGK-SECBINFHSA-N 0 3 259.306 -2.116 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@@H](C)N)CCN2C1=O ZINC000646181452 409485610 /nfs/dbraw/zinc/48/56/10/409485610.db2.gz NXXZAVMIDMTSEB-SFYZADRCSA-N 0 3 254.290 -1.172 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1(C(=O)N(C)C)CC1 ZINC000646209002 409485613 /nfs/dbraw/zinc/48/56/13/409485613.db2.gz RHLJBFLNTLJGSP-VIFPVBQESA-N 0 3 257.334 -1.107 20 0 CAADHN COCCN1C[C@H](C(=O)N[C@H](CO)CN(C)C)CC1=O ZINC000646210903 409485798 /nfs/dbraw/zinc/48/57/98/409485798.db2.gz LGWUFCMOFDRLIC-MNOVXSKESA-N 0 3 287.360 -1.480 20 0 CAADHN CC1(C)CN(C(=O)COCCN)CCS1(=O)=O ZINC000646217480 409486115 /nfs/dbraw/zinc/48/61/15/409486115.db2.gz RYJJEKLEAANRCI-UHFFFAOYSA-N 0 3 264.347 -1.003 20 0 CAADHN CCN1C(=O)[C@H]2CN(C(=O)CNC)CCN2C1=O ZINC000646181250 409486128 /nfs/dbraw/zinc/48/61/28/409486128.db2.gz CUPZEDWVPJOTNM-MRVPVSSYSA-N 0 3 254.290 -1.299 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)N[C@H](CO)CN2CCCC2)c1=O ZINC000646224348 409486156 /nfs/dbraw/zinc/48/61/56/409486156.db2.gz RPPNFHLUBIETMQ-VIFPVBQESA-N 0 3 296.327 -1.328 20 0 CAADHN CCN1C(=O)[C@H]2CN(C(=O)[C@@H](C)N)CCN2C1=O ZINC000646181450 409486353 /nfs/dbraw/zinc/48/63/53/409486353.db2.gz NXXZAVMIDMTSEB-HTQZYQBOSA-N 0 3 254.290 -1.172 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNC(C)C ZINC000659340836 409486395 /nfs/dbraw/zinc/48/63/95/409486395.db2.gz BAXNZGGVIVHHJO-DTWKUNHWSA-N 0 3 264.347 -1.087 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)N[C@@H](CO)CN2CCCC2)c1=O ZINC000646224347 409486503 /nfs/dbraw/zinc/48/65/03/409486503.db2.gz RPPNFHLUBIETMQ-SECBINFHSA-N 0 3 296.327 -1.328 20 0 CAADHN CC1(C)CN[C@H]1C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000646254544 409487661 /nfs/dbraw/zinc/48/76/61/409487661.db2.gz YQRQTNQVCLCWSS-YUMQZZPRSA-N 0 3 261.347 -1.126 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N=c1nc[nH]n1C ZINC000646320616 409487943 /nfs/dbraw/zinc/48/79/43/409487943.db2.gz MDVONCIJFLVMBX-SECBINFHSA-N 0 3 295.347 -1.179 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646801538 409495071 /nfs/dbraw/zinc/49/50/71/409495071.db2.gz ZWNMYWXGCCMMMH-MRVPVSSYSA-N 0 3 293.331 -1.226 20 0 CAADHN C[C@@H](NC(=O)CN1CCN2C[C@H](O)C[C@H]2C1)C(=O)N(C)C ZINC000653826004 409495203 /nfs/dbraw/zinc/49/52/03/409495203.db2.gz QUMJHAIBENEIJM-GRYCIOLGSA-N 0 3 298.387 -1.670 20 0 CAADHN C[C@H](NC(=O)CN1CCN2C[C@H](O)C[C@H]2C1)C(=O)N(C)C ZINC000653826005 409495237 /nfs/dbraw/zinc/49/52/37/409495237.db2.gz QUMJHAIBENEIJM-SDDRHHMPSA-N 0 3 298.387 -1.670 20 0 CAADHN CN1CCN(C(=O)CNC(=O)c2cccnc2)[C@@H](CN)C1 ZINC000646833155 409495369 /nfs/dbraw/zinc/49/53/69/409495369.db2.gz HHDIGOCDQRMKMI-LBPRGKRZSA-N 0 3 291.355 -1.087 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CCN(C)C[C@H]1CN ZINC000646835324 409495455 /nfs/dbraw/zinc/49/54/55/409495455.db2.gz CSHAVYWQAKOSRI-NXEZZACHSA-N 0 3 254.334 -1.292 20 0 CAADHN COCCN(C)CCNC(=O)[C@H]1CCN=C2C1=NNN2C ZINC000646795490 409496039 /nfs/dbraw/zinc/49/60/39/409496039.db2.gz MNLSZHIVUHVMMU-JTQLQIEISA-N 0 3 296.375 -1.095 20 0 CAADHN CN1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@H](CN)C1 ZINC000646836264 409496864 /nfs/dbraw/zinc/49/68/64/409496864.db2.gz AYMHGEBHIUGAJL-SECBINFHSA-N 0 3 265.317 -1.172 20 0 CAADHN CC1(C)CN[C@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000646427863 409489405 /nfs/dbraw/zinc/48/94/05/409489405.db2.gz ZGHDPAAAFJKAQJ-LBPRGKRZSA-N 0 3 298.387 -1.451 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2NCC2(C)C)CCO1 ZINC000646523595 409489939 /nfs/dbraw/zinc/48/99/39/409489939.db2.gz ZVHHCYOZYSCCJF-IUCAKERBSA-N 0 3 255.318 -1.042 20 0 CAADHN CN(C)CCNC(=O)[C@H]1CCN=C2C1=NNN2C ZINC000646578532 409490073 /nfs/dbraw/zinc/49/00/73/409490073.db2.gz DLDQWPVVWWVSBI-QMMMGPOBSA-N 0 3 252.322 -1.111 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)[C@H]2NCC2(C)C)CCO1 ZINC000646523596 409490353 /nfs/dbraw/zinc/49/03/53/409490353.db2.gz ZVHHCYOZYSCCJF-RKDXNWHRSA-N 0 3 255.318 -1.042 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)[C@@H]2NCC2(C)C)CCO1 ZINC000646523593 409490396 /nfs/dbraw/zinc/49/03/96/409490396.db2.gz ZVHHCYOZYSCCJF-BDAKNGLRSA-N 0 3 255.318 -1.042 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC(C)(C(N)=O)C1 ZINC000653775376 409490564 /nfs/dbraw/zinc/49/05/64/409490564.db2.gz ZULCAISIRDQWKA-JTQLQIEISA-N 0 3 259.350 -1.267 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000646523531 409490831 /nfs/dbraw/zinc/49/08/31/409490831.db2.gz QHRGZMCISDUTAK-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CN1CCC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000646600803 409490851 /nfs/dbraw/zinc/49/08/51/409490851.db2.gz LCWVZBGJSVYNPK-QMMMGPOBSA-N 0 3 254.290 -1.205 20 0 CAADHN O=C(CN1CCNCC1)NCCN1CCCC1=O ZINC000405447026 409493327 /nfs/dbraw/zinc/49/33/27/409493327.db2.gz TWFYVWGGHYUHIQ-UHFFFAOYSA-N 0 3 254.334 -1.370 20 0 CAADHN O[C@H](Cn1cccn1)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000653825615 409494271 /nfs/dbraw/zinc/49/42/71/409494271.db2.gz CJHQHQRDLOVQEM-XQQFMLRXSA-N 0 3 266.345 -1.005 20 0 CAADHN COCCN(C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC000646795509 409494571 /nfs/dbraw/zinc/49/45/71/409494571.db2.gz OBADGQCFLCKHKL-UHFFFAOYSA-N 0 3 296.393 -1.923 20 0 CAADHN CN1CC[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)S1(=O)=O ZINC000659386582 409555098 /nfs/dbraw/zinc/55/50/98/409555098.db2.gz BFBPMJDZMTVKMG-IWSPIJDZSA-N 0 3 279.337 -1.082 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)[C@H](C)CN ZINC000659563869 409556918 /nfs/dbraw/zinc/55/69/18/409556918.db2.gz CBAJQIYTMXAFEQ-HRDYMLBCSA-N 0 3 279.362 -1.213 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NCCN)C[C@H]21 ZINC000659507456 409557579 /nfs/dbraw/zinc/55/75/79/409557579.db2.gz KPUJSNKAYSBQLZ-YIZRAAEISA-N 0 3 277.346 -1.602 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H](C)CN ZINC000659529407 409557772 /nfs/dbraw/zinc/55/77/72/409557772.db2.gz BFGGSLUBOVKOJA-CSMHCCOUSA-N 0 3 265.335 -1.555 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)[C@H](C)CN ZINC000659563870 409557816 /nfs/dbraw/zinc/55/78/16/409557816.db2.gz CBAJQIYTMXAFEQ-IWSPIJDZSA-N 0 3 279.362 -1.213 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC[C@H](C)N)C[C@H]21 ZINC000659540927 409558199 /nfs/dbraw/zinc/55/81/99/409558199.db2.gz YJPVQKNGWYQHGZ-QEYWKRMJSA-N 0 3 291.373 -1.213 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659486115 409558290 /nfs/dbraw/zinc/55/82/90/409558290.db2.gz RSGUNVIWLKJGHW-HTQZYQBOSA-N 0 3 282.341 -1.384 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)[C@@H](C)CN ZINC000659563868 409558597 /nfs/dbraw/zinc/55/85/97/409558597.db2.gz CBAJQIYTMXAFEQ-DJLDLDEBSA-N 0 3 279.362 -1.213 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H](C)CN ZINC000659529410 409558706 /nfs/dbraw/zinc/55/87/06/409558706.db2.gz BFGGSLUBOVKOJA-GJMOJQLCSA-N 0 3 265.335 -1.555 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H](C)CN ZINC000659529412 409558835 /nfs/dbraw/zinc/55/88/35/409558835.db2.gz BFGGSLUBOVKOJA-PRJMDXOYSA-N 0 3 265.335 -1.555 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)[C@@H](C)CN ZINC000659563871 409558867 /nfs/dbraw/zinc/55/88/67/409558867.db2.gz CBAJQIYTMXAFEQ-XHNCKOQMSA-N 0 3 279.362 -1.213 20 0 CAADHN C[C@H](CNC(=O)N1CCN(C)C[C@H]1CN)S(C)(=O)=O ZINC000659641753 409559888 /nfs/dbraw/zinc/55/98/88/409559888.db2.gz SCJMZVAZPPJYRT-NXEZZACHSA-N 0 3 292.405 -1.296 20 0 CAADHN O=C(NCC12CC(C1)C[NH2+]2)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000659616608 409560199 /nfs/dbraw/zinc/56/01/99/409560199.db2.gz VMSDDYWOIQECMV-JVVWGOMOSA-N 0 3 293.327 -1.316 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC(C)(C)CN ZINC000659565086 409560545 /nfs/dbraw/zinc/56/05/45/409560545.db2.gz NZAYAELKGVLVBQ-JGVFFNPUSA-N 0 3 279.362 -1.165 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@H](N)C1 ZINC000659565780 409560604 /nfs/dbraw/zinc/56/06/04/409560604.db2.gz TZNFZILMPNVPCQ-IWSPIJDZSA-N 0 3 277.346 -1.459 20 0 CAADHN COCCOCCNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659686575 409562207 /nfs/dbraw/zinc/56/22/07/409562207.db2.gz GTLIEUXOTMHWHQ-UHFFFAOYSA-N 0 3 285.344 -1.285 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC(C)(C)CN ZINC000659565090 409562406 /nfs/dbraw/zinc/56/24/06/409562406.db2.gz NZAYAELKGVLVBQ-YUMQZZPRSA-N 0 3 279.362 -1.165 20 0 CAADHN NCCNC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000659708907 409563828 /nfs/dbraw/zinc/56/38/28/409563828.db2.gz BVTLRHWGTFQMTB-SNVBAGLBSA-N 0 3 270.333 -2.006 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000659715602 409563929 /nfs/dbraw/zinc/56/39/29/409563929.db2.gz XNFSZCSWJRDLMP-BDAKNGLRSA-N 0 3 253.302 -1.431 20 0 CAADHN C[C@@H](Cn1cncn1)NC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659691785 409564233 /nfs/dbraw/zinc/56/42/33/409564233.db2.gz SUCLFYWDGJYUTL-JBLZRFIASA-N 0 3 292.343 -1.268 20 0 CAADHN NCCNC(=O)C(=O)NCCO[C@H]1CC1(F)F ZINC000659711109 409564531 /nfs/dbraw/zinc/56/45/31/409564531.db2.gz WGVUFBJYQZDCCK-LURJTMIESA-N 0 3 251.233 -1.398 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000659714000 409564621 /nfs/dbraw/zinc/56/46/21/409564621.db2.gz ILAKQBNWRGYTIH-VIFPVBQESA-N 0 3 278.316 -1.785 20 0 CAADHN NCCNC(=O)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000659709410 409565405 /nfs/dbraw/zinc/56/54/05/409565405.db2.gz IKRBPIPMMCARAN-GFCCVEGCSA-N 0 3 255.318 -1.175 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC1CNC1 ZINC000659714065 409565437 /nfs/dbraw/zinc/56/54/37/409565437.db2.gz JEYZAWDCPMWCKC-SFYZADRCSA-N 0 3 291.329 -2.997 20 0 CAADHN Cn1nccc1CNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659702498 409565550 /nfs/dbraw/zinc/56/55/50/409565550.db2.gz QQPIBBSTBUPDLT-UHFFFAOYSA-N 0 3 277.328 -1.014 20 0 CAADHN CN(C[C@H]1COCCO1)C(=O)C(=O)NC1CNC1 ZINC000659714136 409566203 /nfs/dbraw/zinc/56/62/03/409566203.db2.gz JZHLZUSSCBXBNM-VIFPVBQESA-N 0 3 257.290 -2.052 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)NCCCn1ccnn1 ZINC000659694958 409566342 /nfs/dbraw/zinc/56/63/42/409566342.db2.gz UMUCBUIHWWUBRU-UHFFFAOYSA-N 0 3 292.343 -1.266 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000659713999 409566677 /nfs/dbraw/zinc/56/66/77/409566677.db2.gz ILAKQBNWRGYTIH-SECBINFHSA-N 0 3 278.316 -1.785 20 0 CAADHN CC(C)(C)N1C[C@H](CNC(=O)C(=O)NCCN)CC1=O ZINC000659710021 409566688 /nfs/dbraw/zinc/56/66/88/409566688.db2.gz OIAVTBGZITVLQR-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CN1CCN(C(=O)CCN2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000653829354 409498367 /nfs/dbraw/zinc/49/83/67/409498367.db2.gz KFFCQRWDIUNEEN-UONOGXRCSA-N 0 3 296.415 -1.099 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648763224 409498990 /nfs/dbraw/zinc/49/89/90/409498990.db2.gz KEMFUENOWOMIKM-JTQLQIEISA-N 0 3 293.389 -1.285 20 0 CAADHN COCCN(C)CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648763225 409499763 /nfs/dbraw/zinc/49/97/63/409499763.db2.gz KEMFUENOWOMIKM-SNVBAGLBSA-N 0 3 293.389 -1.285 20 0 CAADHN CN(C)CCOCCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648853530 409501455 /nfs/dbraw/zinc/50/14/55/409501455.db2.gz FYBJVTLOPXDVCU-SNVBAGLBSA-N 0 3 293.389 -1.285 20 0 CAADHN CNC(=O)CC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649071769 409502971 /nfs/dbraw/zinc/50/29/71/409502971.db2.gz REGGWLDIHZADRJ-VIFPVBQESA-N 0 3 270.333 -1.299 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@]1(O)CCOC1 ZINC000649069674 409503060 /nfs/dbraw/zinc/50/30/60/409503060.db2.gz XNTXJTWASHJNSD-MFKMUULPSA-N 0 3 285.344 -1.284 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1COCCO1 ZINC000649078636 409503221 /nfs/dbraw/zinc/50/32/21/409503221.db2.gz NIOZGRXEMCCMSP-GHMZBOCLSA-N 0 3 285.344 -1.020 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1COCCN1C ZINC000649070524 409503326 /nfs/dbraw/zinc/50/33/26/409503326.db2.gz QDFOUXYMDRTRHG-NWDGAFQWSA-N 0 3 298.387 -1.105 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1COCCO1 ZINC000649078638 409503411 /nfs/dbraw/zinc/50/34/11/409503411.db2.gz NIOZGRXEMCCMSP-QWRGUYRKSA-N 0 3 285.344 -1.020 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CN(C)CCO1 ZINC000649075061 409503511 /nfs/dbraw/zinc/50/35/11/409503511.db2.gz VUYFAGGSOGPXHG-NEPJUHHUSA-N 0 3 298.387 -1.105 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCC(=O)N1 ZINC000649075880 409503545 /nfs/dbraw/zinc/50/35/45/409503545.db2.gz LXMJWRYQEUREPC-ZJUUUORDSA-N 0 3 282.344 -1.157 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1cnnn1 ZINC000649079967 409503561 /nfs/dbraw/zinc/50/35/61/409503561.db2.gz NQDHRPDLVHDYGZ-SECBINFHSA-N 0 3 281.320 -1.749 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(NC(N)=O)CC1 ZINC000649072639 409503710 /nfs/dbraw/zinc/50/37/10/409503710.db2.gz GKQZGZIHUUBMNB-SECBINFHSA-N 0 3 297.359 -1.234 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1COCCN1C ZINC000649070526 409503862 /nfs/dbraw/zinc/50/38/62/409503862.db2.gz QDFOUXYMDRTRHG-VXGBXAGGSA-N 0 3 298.387 -1.105 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CN(C)CCO1 ZINC000649075063 409503959 /nfs/dbraw/zinc/50/39/59/409503959.db2.gz VUYFAGGSOGPXHG-RYUDHWBXSA-N 0 3 298.387 -1.105 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn[nH]n1 ZINC000649077238 409503981 /nfs/dbraw/zinc/50/39/81/409503981.db2.gz OTUZPIAWRFSASR-MRVPVSSYSA-N 0 3 266.305 -1.003 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649071093 409504151 /nfs/dbraw/zinc/50/41/51/409504151.db2.gz CDLFKBYZMVPXSI-IUCAKERBSA-N 0 3 285.348 -1.378 20 0 CAADHN CNC(=O)NCC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649072273 409504205 /nfs/dbraw/zinc/50/42/05/409504205.db2.gz BMGIVKZYYLPELE-VIFPVBQESA-N 0 3 285.348 -1.506 20 0 CAADHN CN1CCC2(CC1)CN(C(=O)Cn1cnnn1)CCO2 ZINC000649136018 409504453 /nfs/dbraw/zinc/50/44/53/409504453.db2.gz RTMFCTFGGZTKRV-UHFFFAOYSA-N 0 3 280.332 -1.004 20 0 CAADHN CC(=O)N1CCN(CCNC(=O)COC2(C)CNC2)CC1 ZINC000649293873 409508086 /nfs/dbraw/zinc/50/80/86/409508086.db2.gz NHLHTOLXUCYQLV-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001195633523 782012451 /nfs/dbraw/zinc/01/24/51/782012451.db2.gz SVSCZNIESNGPML-ZJUUUORDSA-N 0 3 272.349 -1.042 20 0 CAADHN CN(C)CCN1C(=O)C[C@H](N[C@@H]2CCC(=O)N(C)C2)C1=O ZINC000573455285 409509310 /nfs/dbraw/zinc/50/93/10/409509310.db2.gz GVXMERVLQHCECB-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN Cn1[nH]cnc1=NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654022432 409509418 /nfs/dbraw/zinc/50/94/18/409509418.db2.gz CTACQYYDTDQEHZ-DTWKUNHWSA-N 0 3 266.305 -1.480 20 0 CAADHN O=C(NCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000654352526 409509501 /nfs/dbraw/zinc/50/95/01/409509501.db2.gz JLWLUXUFLXMMRS-NWDGAFQWSA-N 0 3 296.371 -1.027 20 0 CAADHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)N1CCOCC1 ZINC000405238988 409511210 /nfs/dbraw/zinc/51/12/10/409511210.db2.gz GPBJWKRYNMHDNW-NWDGAFQWSA-N 0 3 269.345 -1.404 20 0 CAADHN CNC(=O)C[C@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654583670 409511481 /nfs/dbraw/zinc/51/14/81/409511481.db2.gz FYVIFYCHPNSJJH-GARJFASQSA-N 0 3 284.360 -1.029 20 0 CAADHN CCNC(=O)CN(C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126195658 409511525 /nfs/dbraw/zinc/51/15/25/409511525.db2.gz XWOJXDJTODECGJ-NSHDSACASA-N 0 3 272.349 -1.320 20 0 CAADHN O=C(NC1COCCOC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654572071 409511599 /nfs/dbraw/zinc/51/15/99/409511599.db2.gz ANVNGWYHDFSDHC-NWDGAFQWSA-N 0 3 285.344 -1.138 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654600223 409511820 /nfs/dbraw/zinc/51/18/20/409511820.db2.gz KLOQPGCRJCBZBU-IRCOFANPSA-N 0 3 285.344 -1.139 20 0 CAADHN COCCOC[C@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405324930 409512496 /nfs/dbraw/zinc/51/24/96/409512496.db2.gz TWRCXGKFARSPLQ-YNEHKIRRSA-N 0 3 274.361 -1.239 20 0 CAADHN CN(C)CCn1ccc(C(=O)NCCn2ncnn2)n1 ZINC000654898927 409513113 /nfs/dbraw/zinc/51/31/13/409513113.db2.gz YLOHMQDGUMLCKY-UHFFFAOYSA-N 0 3 278.320 -1.139 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@](O)(C(N)=O)C2)C1 ZINC000655021196 409514514 /nfs/dbraw/zinc/51/45/14/409514514.db2.gz FMJODQNJKHZGKE-JOYOIKCWSA-N 0 3 255.318 -1.223 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@@](O)(C(N)=O)C2)C1 ZINC000655021197 409514605 /nfs/dbraw/zinc/51/46/05/409514605.db2.gz FMJODQNJKHZGKE-SKDRFNHKSA-N 0 3 255.318 -1.223 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000655073456 409515835 /nfs/dbraw/zinc/51/58/35/409515835.db2.gz DANNUSVZYYBKCA-AWEZNQCLSA-N 0 3 299.371 -1.336 20 0 CAADHN CN(C)[C@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@@H]1O ZINC000655093607 409516007 /nfs/dbraw/zinc/51/60/07/409516007.db2.gz ZZGUXMSUNHYCDA-UWVGGRQHSA-N 0 3 266.301 -1.140 20 0 CAADHN C[C@H](CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)NC(N)=O ZINC000655096281 409516236 /nfs/dbraw/zinc/51/62/36/409516236.db2.gz UXXYSKOKYMOYMP-VGMNWLOBSA-N 0 3 258.322 -1.433 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000655095980 409516618 /nfs/dbraw/zinc/51/66/18/409516618.db2.gz FTGIRULTBIBVAV-TUAOUCFPSA-N 0 3 285.344 -1.633 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@H]1O ZINC000655096199 409516797 /nfs/dbraw/zinc/51/67/97/409516797.db2.gz JNFSKKLSAFUMDY-CIUDSAMLSA-N 0 3 277.346 -2.189 20 0 CAADHN CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000655095726 409516852 /nfs/dbraw/zinc/51/68/52/409516852.db2.gz PHPFGYMWSPLASG-WYUUTHIRSA-N 0 3 285.344 -1.899 20 0 CAADHN O=C(NCC(F)F)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000655073766 409516915 /nfs/dbraw/zinc/51/69/15/409516915.db2.gz RFZNGPJJOGBWHK-LBPRGKRZSA-N 0 3 291.298 -1.059 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000655073457 409517478 /nfs/dbraw/zinc/51/74/78/409517478.db2.gz DANNUSVZYYBKCA-CQSZACIVSA-N 0 3 299.371 -1.336 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N(C)C[C@H]1COCCO1 ZINC000658449943 409517689 /nfs/dbraw/zinc/51/76/89/409517689.db2.gz LCXPZCCVUHLRIK-NSHDSACASA-N 0 3 287.360 -1.120 20 0 CAADHN NC[C@@H](NC(=O)N(CCO)CCO)C(F)(F)F ZINC000655922712 409518951 /nfs/dbraw/zinc/51/89/51/409518951.db2.gz SFNTVTGSRVCMMX-ZCFIWIBFSA-N 0 3 259.228 -1.128 20 0 CAADHN NC[C@@H](NC(=O)N[C@@H]1CCC(=O)NC1=O)C(F)(F)F ZINC000655921242 409519147 /nfs/dbraw/zinc/51/91/47/409519147.db2.gz KLXIAVAUPGOEND-RFZPGFLSSA-N 0 3 282.222 -1.020 20 0 CAADHN C[C@](O)(CO)CNC(=O)N[C@@H](CN)C(F)(F)F ZINC000655926343 409519176 /nfs/dbraw/zinc/51/91/76/409519176.db2.gz DAASTSIQBFUIQX-CAHLUQPWSA-N 0 3 259.228 -1.082 20 0 CAADHN Cn1nnc(CNC(=O)N[C@@H](CN)C(F)(F)F)n1 ZINC000655925983 409519231 /nfs/dbraw/zinc/51/92/31/409519231.db2.gz BTNZKGFQDHKUBU-BYPYZUCNSA-N 0 3 267.215 -1.101 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)N[C@H](CN)C(F)(F)F ZINC000655930813 409519589 /nfs/dbraw/zinc/51/95/89/409519589.db2.gz CJSWWSCASDAMCD-HSUXUTPPSA-N 0 3 259.228 -1.083 20 0 CAADHN NC[C@H](NC(=O)NCCCS(N)(=O)=O)C(F)(F)F ZINC000655925816 409519699 /nfs/dbraw/zinc/51/96/99/409519699.db2.gz FRGFKJFXUSNJCV-YFKPBYRVSA-N 0 3 292.283 -1.146 20 0 CAADHN NC[C@@H](NC(=O)N1CCN(C(=O)CO)CC1)C(F)(F)F ZINC000655920797 409519756 /nfs/dbraw/zinc/51/97/56/409519756.db2.gz IXENISIUOAPGPV-SSDOTTSWSA-N 0 3 298.265 -1.278 20 0 CAADHN C[C@@](O)(CO)CNC(=O)N[C@@H](CN)C(F)(F)F ZINC000655926344 409519784 /nfs/dbraw/zinc/51/97/84/409519784.db2.gz DAASTSIQBFUIQX-FSPLSTOPSA-N 0 3 259.228 -1.082 20 0 CAADHN NC[C@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)C(F)(F)F ZINC000655912670 409519819 /nfs/dbraw/zinc/51/98/19/409519819.db2.gz AZZBDBFFXVUKSW-RITPCOANSA-N 0 3 284.238 -1.228 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1=O ZINC000655164430 409520092 /nfs/dbraw/zinc/52/00/92/409520092.db2.gz QPVWUAJGMIWZRJ-WDEREUQCSA-N 0 3 296.371 -1.270 20 0 CAADHN NC[C@H](NC(=O)N1C[C@@H](O)[C@@H](O)C1)C(F)(F)F ZINC000655920860 409520222 /nfs/dbraw/zinc/52/02/22/409520222.db2.gz JMLPOFXHANZVMJ-JKUQZMGJSA-N 0 3 257.212 -1.377 20 0 CAADHN NC[C@@H](NC(=O)NCCCS(N)(=O)=O)C(F)(F)F ZINC000655925813 409520274 /nfs/dbraw/zinc/52/02/74/409520274.db2.gz FRGFKJFXUSNJCV-RXMQYKEDSA-N 0 3 292.283 -1.146 20 0 CAADHN C[C@H](CC(=O)N1CCN(CCN(C)C)C(=O)C1)NC(N)=O ZINC000655163065 409520467 /nfs/dbraw/zinc/52/04/67/409520467.db2.gz DNMWSJNNXVUDCI-SNVBAGLBSA-N 0 3 299.375 -1.334 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CC1=O ZINC000655164423 409520490 /nfs/dbraw/zinc/52/04/90/409520490.db2.gz QPVWUAJGMIWZRJ-GHMZBOCLSA-N 0 3 296.371 -1.270 20 0 CAADHN C[C@H](CNC(=O)C(=O)NC1CNC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023061 409524318 /nfs/dbraw/zinc/52/43/18/409524318.db2.gz SUHWEPGKLJLRRZ-MXWKQRLJSA-N 0 3 298.387 -1.312 20 0 CAADHN C[C@@H](CNC(=O)C(=O)NC1CNC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656023060 409524442 /nfs/dbraw/zinc/52/44/42/409524442.db2.gz SUHWEPGKLJLRRZ-GARJFASQSA-N 0 3 298.387 -1.312 20 0 CAADHN C[C@@H](CNC(=O)C(=O)NCCN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656018161 409524597 /nfs/dbraw/zinc/52/45/97/409524597.db2.gz PXUHVUWALKNNAZ-GARJFASQSA-N 0 3 286.376 -1.325 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000656027470 409525117 /nfs/dbraw/zinc/52/51/17/409525117.db2.gz ZAVPDMKAQVFJJT-MRVPVSSYSA-N 0 3 297.363 -1.150 20 0 CAADHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)NC(=O)NC1CC1 ZINC000405408238 409525706 /nfs/dbraw/zinc/52/57/06/409525706.db2.gz SJTKPDVKEWZFHS-WDEREUQCSA-N 0 3 282.344 -1.275 20 0 CAADHN COC(=O)[C@](C)(O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405471101 409527121 /nfs/dbraw/zinc/52/71/21/409527121.db2.gz KWYINSVHZQAWGE-HOSYDEDBSA-N 0 3 258.318 -1.339 20 0 CAADHN Cn1cnnc1N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000656023072 409527308 /nfs/dbraw/zinc/52/73/08/409527308.db2.gz UHQVCUAJZARJGF-UHFFFAOYSA-N 0 3 293.331 -2.448 20 0 CAADHN COCC1(CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000656029887 409527458 /nfs/dbraw/zinc/52/74/58/409527458.db2.gz JJYVKAIXRGPWED-LLVKDONJSA-N 0 3 298.387 -1.370 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656062572 409527628 /nfs/dbraw/zinc/52/76/28/409527628.db2.gz NZLQNANFKDIEHE-NWDGAFQWSA-N 0 3 298.387 -1.716 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656103905 409529111 /nfs/dbraw/zinc/52/91/11/409529111.db2.gz CNVYIFKRUMIDIG-GRYCIOLGSA-N 0 3 296.371 -1.787 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656104190 409529379 /nfs/dbraw/zinc/52/93/79/409529379.db2.gz JVYQWEPBEWVPTI-GARJFASQSA-N 0 3 284.360 -1.931 20 0 CAADHN O[C@H](CNC1COCCOC1)CN1CCOCC1 ZINC000310868608 409531616 /nfs/dbraw/zinc/53/16/16/409531616.db2.gz SYKVEFSPILCJNN-GFCCVEGCSA-N 0 3 260.334 -1.316 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCN1 ZINC000656104108 409531675 /nfs/dbraw/zinc/53/16/75/409531675.db2.gz HMLVNZZQCDGFRC-GRYCIOLGSA-N 0 3 296.371 -1.916 20 0 CAADHN NC(=O)c1cncc(N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000656218591 409532001 /nfs/dbraw/zinc/53/20/01/409532001.db2.gz CQBFAFVXIKXFBN-DTWKUNHWSA-N 0 3 263.301 -1.169 20 0 CAADHN COCCO[C@@H]1COCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624116110 409537927 /nfs/dbraw/zinc/53/79/27/409537927.db2.gz JALPHZHFRJVETO-JGVFFNPUSA-N 0 3 284.320 -1.649 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000659719615 409569265 /nfs/dbraw/zinc/56/92/65/409569265.db2.gz ZQYJOZWMSJHBDD-NXEZZACHSA-N 0 3 299.375 -1.336 20 0 CAADHN COC[C@H](Nc1nc(N)nc(N)n1)[C@@H]1CCCO1 ZINC000624168841 409543325 /nfs/dbraw/zinc/54/33/25/409543325.db2.gz KXXGPYBVSMHXGG-BQBZGAKWSA-N 0 3 254.294 -1.275 20 0 CAADHN Nc1nc(N)nc(N2CCN(c3ncc[nH]3)CC2)n1 ZINC000624160357 409543468 /nfs/dbraw/zinc/54/34/68/409543468.db2.gz RJYCLQKBOBDTQW-UHFFFAOYSA-N 0 3 261.293 -1.254 20 0 CAADHN COC[C@H](Nc1nc(N)nc(N)n1)[C@H]1CCCO1 ZINC000624168842 409545760 /nfs/dbraw/zinc/54/57/60/409545760.db2.gz KXXGPYBVSMHXGG-NKWVEPMBSA-N 0 3 254.294 -1.275 20 0 CAADHN CO[C@H](CS(=O)(=O)NC1CNC1)[C@@H]1CCOC1 ZINC000658366656 409545798 /nfs/dbraw/zinc/54/57/98/409545798.db2.gz QXUAWXQGHBAIFA-PSASIEDQSA-N 0 3 264.347 -1.071 20 0 CAADHN C[C@@H]1OCC[C@H]1N(CCO)c1nc(N)nc(N)n1 ZINC000624179054 409545895 /nfs/dbraw/zinc/54/58/95/409545895.db2.gz KDRLJNKRQBBWPC-NKWVEPMBSA-N 0 3 254.294 -1.327 20 0 CAADHN CS(=O)(=O)C1(CNc2nc(N)nc(N)n2)CC1 ZINC000624176054 409545981 /nfs/dbraw/zinc/54/59/81/409545981.db2.gz BFIQDPRNKUOGAC-UHFFFAOYSA-N 0 3 258.307 -1.892 20 0 CAADHN C[C@@H]1CN(CC(C)(C)O)CCN1c1nc(N)nc(N)n1 ZINC000624142393 409546121 /nfs/dbraw/zinc/54/61/21/409546121.db2.gz WBOXYXZLVUNEBO-MRVPVSSYSA-N 0 3 281.364 -1.022 20 0 CAADHN Nc1nc(N)nc(NC[C@@H](CO)[C@H]2CCOC2)n1 ZINC000624179260 409546569 /nfs/dbraw/zinc/54/65/69/409546569.db2.gz RPZNNFARFPLKRK-BQBZGAKWSA-N 0 3 254.294 -1.824 20 0 CAADHN CC1(C)CN(c2nc(N)nc(N)n2)CCN1CCO ZINC000624142884 409546700 /nfs/dbraw/zinc/54/67/00/409546700.db2.gz NLHHUGZBVJRYOK-UHFFFAOYSA-N 0 3 267.337 -1.410 20 0 CAADHN CNC(=O)[C@@]1(C)CCN(c2nc(N)nc(N)n2)C1 ZINC000624180014 409546959 /nfs/dbraw/zinc/54/69/59/409546959.db2.gz UTTJALOPMLMJQI-JTQLQIEISA-N 0 3 251.294 -1.341 20 0 CAADHN C[C@H]1CN(c2nc(N)nc(N)n2)CCN1CC(C)(C)O ZINC000624144299 409547046 /nfs/dbraw/zinc/54/70/46/409547046.db2.gz MCEJXRYFZRKALM-QMMMGPOBSA-N 0 3 281.364 -1.022 20 0 CAADHN Cn1cnn(CC(=O)N2CC[C@@H](F)[C@H](N)C2)c1=O ZINC000659386547 409552961 /nfs/dbraw/zinc/55/29/61/409552961.db2.gz AGTFXVGBARSJQB-HTQZYQBOSA-N 0 3 257.269 -1.521 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)N(C)C[C@@H](C)O ZINC000659378720 409553001 /nfs/dbraw/zinc/55/30/01/409553001.db2.gz IRHAARKVWORPHM-LLVKDONJSA-N 0 3 289.376 -1.138 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](C)[C@H](C)N ZINC000659342798 409553666 /nfs/dbraw/zinc/55/36/66/409553666.db2.gz RTDFGNSFHPLCES-XSPKLOCKSA-N 0 3 264.347 -1.102 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H](C)[C@@H](C)N ZINC000659342795 409553711 /nfs/dbraw/zinc/55/37/11/409553711.db2.gz RTDFGNSFHPLCES-LURQLKTLSA-N 0 3 264.347 -1.102 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)COC1(C)CNC1 ZINC000659341671 409553760 /nfs/dbraw/zinc/55/37/60/409553760.db2.gz JQWRBUCXBXTEBY-BDAKNGLRSA-N 0 3 292.357 -1.707 20 0 CAADHN COCC(=O)N(C)CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659386972 409553953 /nfs/dbraw/zinc/55/39/53/409553953.db2.gz KDPXFIUDRSDXSU-RKDXNWHRSA-N 0 3 261.297 -1.011 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)N(C)C[C@H](C)O ZINC000659378721 409554291 /nfs/dbraw/zinc/55/42/91/409554291.db2.gz IRHAARKVWORPHM-NSHDSACASA-N 0 3 289.376 -1.138 20 0 CAADHN N[C@@H]1CN(C(=O)CN2CCNCC2=O)CC[C@H]1F ZINC000659388600 409554594 /nfs/dbraw/zinc/55/45/94/409554594.db2.gz BXCIZLDEVAVOMQ-RKDXNWHRSA-N 0 3 258.297 -1.684 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCOC1CNC1 ZINC000659340802 409554877 /nfs/dbraw/zinc/55/48/77/409554877.db2.gz ANIQSVVVWAGMDM-UWVGGRQHSA-N 0 3 292.357 -1.707 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(C)(C)CN ZINC000659341786 409554906 /nfs/dbraw/zinc/55/49/06/409554906.db2.gz KZKWUMUWDUPKGP-SFYZADRCSA-N 0 3 264.347 -1.101 20 0 CAADHN Cn1cc(C(=O)N[C@@]2(C)CC[NH2+]C2)c(=O)[n-]c1=O ZINC000663011937 409618367 /nfs/dbraw/zinc/61/83/67/409618367.db2.gz RHSLHDJASQZAMC-NSHDSACASA-N 0 3 252.274 -1.032 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663493913 409620993 /nfs/dbraw/zinc/62/09/93/409620993.db2.gz NYLOCSPSGCHSIT-VIFPVBQESA-N 0 3 253.302 -1.192 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CCOC2(CNC2)C1 ZINC000663493912 409621161 /nfs/dbraw/zinc/62/11/61/409621161.db2.gz NYLOCSPSGCHSIT-SECBINFHSA-N 0 3 253.302 -1.192 20 0 CAADHN COC[C@](C)(N)CNc1cc(=O)n(C)c(=O)n1C ZINC000663607815 409621506 /nfs/dbraw/zinc/62/15/06/409621506.db2.gz AGJZETOXTUIAQU-LLVKDONJSA-N 0 3 256.306 -1.140 20 0 CAADHN COCC(=O)N[C@H](C(=O)N1CCOC2(CNC2)C1)C(C)C ZINC000663488840 409621722 /nfs/dbraw/zinc/62/17/22/409621722.db2.gz ZOQPUDZIRQSTLY-LBPRGKRZSA-N 0 3 299.371 -1.026 20 0 CAADHN O=C(CN1CCNCC1=O)N1CCOC2(CNC2)C1 ZINC000663492243 409621892 /nfs/dbraw/zinc/62/18/92/409621892.db2.gz QGHFBMPKVHXXQH-UHFFFAOYSA-N 0 3 268.317 -2.381 20 0 CAADHN COCCN1C[C@H](C(=O)N2CCOC3(CNC3)C2)CC1=O ZINC000663493607 409622512 /nfs/dbraw/zinc/62/25/12/409622512.db2.gz JVWRAZNTFCBTNB-LLVKDONJSA-N 0 3 297.355 -1.318 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCCNC(=O)C2CC2)C[C@@H]1O ZINC000663459747 409622709 /nfs/dbraw/zinc/62/27/09/409622709.db2.gz XHNXUMLZKCAEQI-QWRGUYRKSA-N 0 3 284.360 -1.171 20 0 CAADHN CC(C)OC[C@H](N)C(=O)N1CCOC2(CNC2)C1 ZINC000663217036 409622919 /nfs/dbraw/zinc/62/29/19/409622919.db2.gz ATCQNUKSMZPXQB-JTQLQIEISA-N 0 3 257.334 -1.061 20 0 CAADHN CC(=O)NCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663435750 409622949 /nfs/dbraw/zinc/62/29/49/409622949.db2.gz CPOGJGZXKONYDL-UWVGGRQHSA-N 0 3 258.322 -1.561 20 0 CAADHN CN1CC[C@@](O)(CNc2cc(=O)n(C)c(=O)n2C)C1 ZINC000663803357 409623868 /nfs/dbraw/zinc/62/38/68/409623868.db2.gz OTKJFZMTMNFAQX-GFCCVEGCSA-N 0 3 268.317 -1.438 20 0 CAADHN CCn1nccc1CNC(=O)C(=O)NC1CNC1 ZINC000663653587 409623985 /nfs/dbraw/zinc/62/39/85/409623985.db2.gz XKRVGYCJJKLNLA-UHFFFAOYSA-N 0 3 251.290 -1.393 20 0 CAADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000663653482 409626150 /nfs/dbraw/zinc/62/61/50/409626150.db2.gz GGRRLWHKMYEELL-VGMNWLOBSA-N 0 3 298.343 -1.780 20 0 CAADHN CN(C)[C@H]1CN(c2cc(=O)n(C)c(=O)n2C)C[C@@H]1O ZINC000663925173 409626325 /nfs/dbraw/zinc/62/63/25/409626325.db2.gz QZOAFYQRQJSKRB-IUCAKERBSA-N 0 3 268.317 -1.805 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC000664193665 409628085 /nfs/dbraw/zinc/62/80/85/409628085.db2.gz WRYGYHLFKASIOZ-UTLUCORTSA-N 0 3 270.333 -1.467 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)N1CCOC2(CNC2)C1 ZINC000664725623 409628530 /nfs/dbraw/zinc/62/85/30/409628530.db2.gz CPTRMPGFNNPFKT-UHFFFAOYSA-N 0 3 291.373 -1.531 20 0 CAADHN CN1C[C@H](C(=O)N2CCOC3(CNC3)C2)CC1=O ZINC000664724843 409628577 /nfs/dbraw/zinc/62/85/77/409628577.db2.gz NBVVZMFIIQXEMW-SECBINFHSA-N 0 3 253.302 -1.335 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCc2cn(C)nn2)C[C@@H]1O ZINC000664630490 409629590 /nfs/dbraw/zinc/62/95/90/409629590.db2.gz DIPLJBDFSKCCQU-UWVGGRQHSA-N 0 3 268.321 -1.369 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC[C@@H]2CN(C)CCO2)C[C@@H]1O ZINC000664002233 409629701 /nfs/dbraw/zinc/62/97/01/409629701.db2.gz HQLAPYHXXVNVLI-WOPDTQHZSA-N 0 3 286.376 -1.367 20 0 CAADHN C[C@H](CNC(=O)N[C@@H](C)CN(C)C)S(N)(=O)=O ZINC000664895952 409631382 /nfs/dbraw/zinc/63/13/82/409631382.db2.gz KNTLHVOUTFCPDE-JGVFFNPUSA-N 0 3 266.367 -1.087 20 0 CAADHN CCN1CC[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1=O ZINC000664847830 409631437 /nfs/dbraw/zinc/63/14/37/409631437.db2.gz RSNLSDYWWACTCH-DCAQKATOSA-N 0 3 284.360 -1.077 20 0 CAADHN CN(C)CCN(C)C(=O)NCCNS(=O)(=O)N(C)C ZINC000665016492 409632433 /nfs/dbraw/zinc/63/24/33/409632433.db2.gz RTOUUAZHFLFUTR-UHFFFAOYSA-N 0 3 295.409 -1.415 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC2COCCOC2)C[C@@H]1O ZINC000664946281 409633648 /nfs/dbraw/zinc/63/36/48/409633648.db2.gz FJWLHLZUTMWBNH-QWRGUYRKSA-N 0 3 273.333 -1.282 20 0 CAADHN C[C@@H](CNC(=O)NCCS(N)(=O)=O)N(C)C ZINC000665044359 409635186 /nfs/dbraw/zinc/63/51/86/409635186.db2.gz SMVIMRRFEDDZKD-ZETCQYMHSA-N 0 3 252.340 -1.476 20 0 CAADHN CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1CCN(C)CC1 ZINC000665073638 409635344 /nfs/dbraw/zinc/63/53/44/409635344.db2.gz XOVHQQWMOBSAEZ-JHJVBQTASA-N 0 3 284.356 -1.048 20 0 CAADHN CNC(=O)C[C@@H](C)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000665052353 409635709 /nfs/dbraw/zinc/63/57/09/409635709.db2.gz ULYGZSBDDUXYNI-UTLUCORTSA-N 0 3 272.349 -1.173 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000665117334 409636286 /nfs/dbraw/zinc/63/62/86/409636286.db2.gz BYNDQQWYGXSPLS-XWLWVQCSSA-N 0 3 273.333 -1.284 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC[C@]2(C)CCC(=O)N2)C[C@@H]1O ZINC000665077943 409637089 /nfs/dbraw/zinc/63/70/89/409637089.db2.gz KSKADSVLFLTELC-KWBADKCTSA-N 0 3 284.360 -1.029 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000665210218 409639564 /nfs/dbraw/zinc/63/95/64/409639564.db2.gz BYNDQQWYGXSPLS-VPOLOUISSA-N 0 3 273.333 -1.284 20 0 CAADHN CN(CCN1C(=O)CNC1=O)[C@@H]1CCN2CCO[C@H]1C2 ZINC000660646921 409575169 /nfs/dbraw/zinc/57/51/69/409575169.db2.gz HRPRIRHMBTTXGK-MNOVXSKESA-N 0 3 282.344 -1.057 20 0 CAADHN CO[C@@H]1CN(C/C=C\CN2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000660735924 409581336 /nfs/dbraw/zinc/58/13/36/409581336.db2.gz MZOVDCXGKUATRG-UJESFUDVSA-N 0 3 286.372 -1.074 20 0 CAADHN CN(C)CCN1CCN(C[C@H]2CNC(=O)C2)CC1=O ZINC000660913995 409581505 /nfs/dbraw/zinc/58/15/05/409581505.db2.gz RTOGFIJINLIQAR-LLVKDONJSA-N 0 3 268.361 -1.172 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CCNC1=O ZINC000661391192 409581674 /nfs/dbraw/zinc/58/16/74/409581674.db2.gz SGMURLBUWFKUDV-UWVGGRQHSA-N 0 3 297.359 -1.364 20 0 CAADHN COC[C@H](NCC(=O)N1CCNC(=O)C1)C1CCOCC1 ZINC000661158516 409582705 /nfs/dbraw/zinc/58/27/05/409582705.db2.gz BJDNDSXYICLLHV-LBPRGKRZSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CCNC1=O ZINC000661391194 409582874 /nfs/dbraw/zinc/58/28/74/409582874.db2.gz SGMURLBUWFKUDV-ZJUUUORDSA-N 0 3 297.359 -1.364 20 0 CAADHN CCO[C@@H]1COC[C@H]1NCCN1C(=O)CNC1=O ZINC000660751924 409583022 /nfs/dbraw/zinc/58/30/22/409583022.db2.gz OIVQPZRPJYUCQV-RKDXNWHRSA-N 0 3 257.290 -1.068 20 0 CAADHN C[C@H]1CN(C[C@H]2CNCCO2)CCN1S(C)(=O)=O ZINC000662281190 409584925 /nfs/dbraw/zinc/58/49/25/409584925.db2.gz VSOUMGXRTOMZFY-WDEREUQCSA-N 0 3 277.390 -1.060 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000662250820 409585176 /nfs/dbraw/zinc/58/51/76/409585176.db2.gz OYABHNLAMDSABZ-MNOVXSKESA-N 0 3 277.390 -1.012 20 0 CAADHN NS(=O)(=O)C[C@H]1CCCN1C[C@@H]1CNCCO1 ZINC000662277921 409585530 /nfs/dbraw/zinc/58/55/30/409585530.db2.gz VHKKHRLXIAUEOC-ZJUUUORDSA-N 0 3 263.363 -1.272 20 0 CAADHN CS(=O)(=O)N1CCCN(C[C@@H]2CNCCO2)CC1 ZINC000662248605 409585595 /nfs/dbraw/zinc/58/55/95/409585595.db2.gz HGDKYCILVJVZSJ-NSHDSACASA-N 0 3 277.390 -1.058 20 0 CAADHN COCC(=O)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000662248776 409586093 /nfs/dbraw/zinc/58/60/93/409586093.db2.gz JGMMWJRGNWESEW-LLVKDONJSA-N 0 3 257.334 -1.235 20 0 CAADHN CCNS(=O)(=O)[C@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000662280366 409586587 /nfs/dbraw/zinc/58/65/87/409586587.db2.gz ONYOFMHKKHFCBE-MNOVXSKESA-N 0 3 277.390 -1.012 20 0 CAADHN CNC(=O)[C@@H]1CN(C[C@H]2CCC3(CNC3)O2)CCO1 ZINC000662281633 409587014 /nfs/dbraw/zinc/58/70/14/409587014.db2.gz YXLWCJNDURODDL-MNOVXSKESA-N 0 3 269.345 -1.046 20 0 CAADHN OCCN(CCN1CCOCC1)C[C@H]1CNCCO1 ZINC000662261102 409587444 /nfs/dbraw/zinc/58/74/44/409587444.db2.gz UHDUOBZOGPXMLT-CYBMUJFWSA-N 0 3 273.377 -1.399 20 0 CAADHN CS(=O)(=O)N[C@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000662250822 409587690 /nfs/dbraw/zinc/58/76/90/409587690.db2.gz OYABHNLAMDSABZ-WDEREUQCSA-N 0 3 277.390 -1.012 20 0 CAADHN CNC(=O)[C@@H]1CN(C[C@@H]2CCC3(CNC3)O2)CCO1 ZINC000662281635 409588022 /nfs/dbraw/zinc/58/80/22/409588022.db2.gz YXLWCJNDURODDL-QWRGUYRKSA-N 0 3 269.345 -1.046 20 0 CAADHN Cn1c(CN2CC[C@@H](F)[C@H](N)C2)cc(=O)n(C)c1=O ZINC000662323698 409589162 /nfs/dbraw/zinc/58/91/62/409589162.db2.gz SLPMWXFGVNSGBO-NXEZZACHSA-N 0 3 270.308 -1.045 20 0 CAADHN CS(=O)(=O)CC1(CN(CCN)C[C@H](O)CO)CC1 ZINC000662288011 409589375 /nfs/dbraw/zinc/58/93/75/409589375.db2.gz MBCYBYJVQOIUFP-JTQLQIEISA-N 0 3 280.390 -1.575 20 0 CAADHN C[C@@H]1CN(C[C@H]2CNCCO2)CCN1S(C)(=O)=O ZINC000662311802 409589821 /nfs/dbraw/zinc/58/98/21/409589821.db2.gz VSOUMGXRTOMZFY-GHMZBOCLSA-N 0 3 277.390 -1.060 20 0 CAADHN CC[C@H](NC)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000662341366 409590645 /nfs/dbraw/zinc/59/06/45/409590645.db2.gz POEZSCZCRAGHJQ-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN CCc1cc(=O)[n-]c(CN(CC[NH3+])C[C@@H](O)CO)n1 ZINC000662288016 409591189 /nfs/dbraw/zinc/59/11/89/409591189.db2.gz MCGGWCHAHBNQSF-SNVBAGLBSA-N 0 3 270.333 -1.142 20 0 CAADHN CC(C)NCC(=O)N(C)CC(=O)N1CCNCC1 ZINC000662342212 409591756 /nfs/dbraw/zinc/59/17/56/409591756.db2.gz ZLJMXWOLMLHAEQ-UHFFFAOYSA-N 0 3 256.350 -1.125 20 0 CAADHN CN1C[C@H](C(=O)N2CCN(C)C[C@@H]2CN)NC1=O ZINC000662428988 409593867 /nfs/dbraw/zinc/59/38/67/409593867.db2.gz MQFMAEFHRVWWDI-DTWKUNHWSA-N 0 3 255.322 -1.889 20 0 CAADHN O=C([C@H]1CCCN(C(=O)C2(O)CNC2)C1)N1CCNCC1 ZINC000662401093 409593898 /nfs/dbraw/zinc/59/38/98/409593898.db2.gz JCCINZRLQXWCLI-NSHDSACASA-N 0 3 296.371 -2.009 20 0 CAADHN CN1C[C@@H](C(=O)N2CCN(C)C[C@H]2CN)NC1=O ZINC000662428987 409594450 /nfs/dbraw/zinc/59/44/50/409594450.db2.gz MQFMAEFHRVWWDI-BDAKNGLRSA-N 0 3 255.322 -1.889 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(C)C ZINC000662443387 409595063 /nfs/dbraw/zinc/59/50/63/409595063.db2.gz KWSMZUQKQZTDLQ-JTQLQIEISA-N 0 3 284.360 -1.162 20 0 CAADHN CC(C)NCC(=O)NCC(=O)NCCN1CCOCC1 ZINC000662526952 409599765 /nfs/dbraw/zinc/59/97/65/409599765.db2.gz OJKBTBKTNKJFEU-UHFFFAOYSA-N 0 3 286.376 -1.451 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(N)C(F)(F)F ZINC000662636750 409602127 /nfs/dbraw/zinc/60/21/27/409602127.db2.gz AKHURRWCJOWWJV-KVQBGUIXSA-N 0 3 290.263 -1.196 20 0 CAADHN CC[C@@H](N)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000662637351 409602220 /nfs/dbraw/zinc/60/22/20/409602220.db2.gz DIJZVTYVUHDITP-CSMHCCOUSA-N 0 3 250.320 -1.348 20 0 CAADHN CC[C@@H](N)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000662637355 409602227 /nfs/dbraw/zinc/60/22/27/409602227.db2.gz DIJZVTYVUHDITP-PRJMDXOYSA-N 0 3 250.320 -1.348 20 0 CAADHN CC[C@H](N)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000662637357 409604456 /nfs/dbraw/zinc/60/44/56/409604456.db2.gz DIJZVTYVUHDITP-XLPZGREQSA-N 0 3 250.320 -1.348 20 0 CAADHN C[C@@H](CNC(=O)C1(O)CNC1)CN1CCN(C)CC1 ZINC000662758368 409606711 /nfs/dbraw/zinc/60/67/11/409606711.db2.gz QYEQHLBJMWRYGG-NSHDSACASA-N 0 3 270.377 -1.680 20 0 CAADHN COCCN1CCCN(C(=O)C2(O)CNC2)CC1 ZINC000662787837 409608730 /nfs/dbraw/zinc/60/87/30/409608730.db2.gz TVPZYIOTXXEZIT-UHFFFAOYSA-N 0 3 257.334 -1.499 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)C[C@H]1COCCO1 ZINC000662873614 409610679 /nfs/dbraw/zinc/61/06/79/409610679.db2.gz JGNVSWBFXUCOHB-JQWIXIFHSA-N 0 3 287.360 -1.040 20 0 CAADHN Cn1cc([C@@H]2CN(C(=O)[C@@H]3CN(C)C(=O)N3)C[C@H]2N)cn1 ZINC000662820530 409611527 /nfs/dbraw/zinc/61/15/27/409611527.db2.gz UNJKTGHDOJJQSU-AXFHLTTASA-N 0 3 292.343 -1.303 20 0 CAADHN C[C@H](O)CN(C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662976645 409615395 /nfs/dbraw/zinc/61/53/95/409615395.db2.gz OZVWOYUDXSIEPA-QTZUAFFRSA-N 0 3 255.318 -1.225 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662944898 409615411 /nfs/dbraw/zinc/61/54/11/409615411.db2.gz AEJZJIOSBLXLML-KKZNHRDASA-N 0 3 274.340 -1.016 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CC(=O)N1 ZINC000662976851 409615451 /nfs/dbraw/zinc/61/54/51/409615451.db2.gz QXGKXGLKLQCDEX-BGQFSCJGSA-N 0 3 280.328 -1.717 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000662959115 409615467 /nfs/dbraw/zinc/61/54/67/409615467.db2.gz FKMPMAGPLHYBMY-VHSXEESVSA-N 0 3 255.318 -1.102 20 0 CAADHN C[C@@H](CNC(=O)COC1(C)CNC1)S(C)(=O)=O ZINC000662973643 409615608 /nfs/dbraw/zinc/61/56/08/409615608.db2.gz SYDGXPJXWSELBW-QMMMGPOBSA-N 0 3 264.347 -1.086 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)[C@H](CN)C1 ZINC000662979765 409615654 /nfs/dbraw/zinc/61/56/54/409615654.db2.gz BXMSXNOIRJCEHD-WISYIIOYSA-N 0 3 299.371 -1.616 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CC(=O)N1 ZINC000662976852 409615686 /nfs/dbraw/zinc/61/56/86/409615686.db2.gz QXGKXGLKLQCDEX-BVDKZHGWSA-N 0 3 280.328 -1.717 20 0 CAADHN CC(=O)NCCN(C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662959604 409615790 /nfs/dbraw/zinc/61/57/90/409615790.db2.gz HRTLKRRZJPVKCE-UHFFFAOYSA-N 0 3 282.344 -1.469 20 0 CAADHN Cc1ccc(NCCCNC(=O)C(=O)NC2CNC2)nc1 ZINC000580053889 409703708 /nfs/dbraw/zinc/70/37/08/409703708.db2.gz BNXHKUAJQWBBCO-UHFFFAOYSA-N 0 3 291.355 -0.604 20 0 CAADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ncn(C)n1 ZINC000332092173 409642965 /nfs/dbraw/zinc/64/29/65/409642965.db2.gz BSXYLLQLYCNEBZ-ZJUUUORDSA-N 0 3 292.343 -0.551 20 0 CAADHN CN(C)CCn1ccc(NC(=O)NC(CO)CO)n1 ZINC000438708615 409644010 /nfs/dbraw/zinc/64/40/10/409644010.db2.gz MRHJULWSTMGFEF-UHFFFAOYSA-N 0 3 271.321 -1.081 20 0 CAADHN CN(C)CCn1ccc(NC(=O)N2CCNC(=O)C2)n1 ZINC000331239344 409644567 /nfs/dbraw/zinc/64/45/67/409644567.db2.gz IRXAKMAAOWHYMN-UHFFFAOYSA-N 0 3 280.332 -0.592 20 0 CAADHN CN(C)CCn1ccc(NC(=O)NCCn2ncnn2)n1 ZINC000361519872 409645372 /nfs/dbraw/zinc/64/53/72/409645372.db2.gz QSHUYMQCMFDQPR-UHFFFAOYSA-N 0 3 293.335 -0.747 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCC[C@@]2(O)CCOC2)C[C@@H]1O ZINC000665225596 409646640 /nfs/dbraw/zinc/64/66/40/409646640.db2.gz QNBOWHMGVYBEGM-GMXVVIOVSA-N 0 3 287.360 -1.156 20 0 CAADHN CN(C)CCn1ccc(NC(=O)[C@H]2COCCN2)n1 ZINC000430871918 409647950 /nfs/dbraw/zinc/64/79/50/409647950.db2.gz YNMWXNXJSXOXJR-SNVBAGLBSA-N 0 3 267.333 -0.628 20 0 CAADHN CN(C)CCn1ccc(NC(=O)Cn2ncn(C)c2=O)n1 ZINC000539935036 409648319 /nfs/dbraw/zinc/64/83/19/409648319.db2.gz DUWMAZBNKAZQGD-UHFFFAOYSA-N 0 3 293.331 -1.021 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCNC1=O ZINC000665326998 409649597 /nfs/dbraw/zinc/64/95/97/409649597.db2.gz JXFAERBUXFNZOF-JTQLQIEISA-N 0 3 299.375 -1.464 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccn(C)n3)[C@@H]2C1 ZINC000645620189 409651281 /nfs/dbraw/zinc/65/12/81/409651281.db2.gz AFZSNHGEAKDXES-VHSXEESVSA-N 0 3 277.328 -0.479 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ncn(C)n1 ZINC000646412522 409652942 /nfs/dbraw/zinc/65/29/42/409652942.db2.gz QQKAMROSZDLMRM-VIFPVBQESA-N 0 3 295.347 -0.601 20 0 CAADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(C)n3)[C@H]2C1 ZINC000645620192 409653035 /nfs/dbraw/zinc/65/30/35/409653035.db2.gz AFZSNHGEAKDXES-ZJUUUORDSA-N 0 3 277.328 -0.479 20 0 CAADHN CN1C[C@@H]2CCCN(C(=O)C(=O)Nc3ncn(C)n3)[C@@H]2C1 ZINC000425822411 409653284 /nfs/dbraw/zinc/65/32/84/409653284.db2.gz SZIUOVIIAVOULF-VHSXEESVSA-N 0 3 292.343 -0.694 20 0 CAADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ncn(C)n1 ZINC000332092172 409656247 /nfs/dbraw/zinc/65/62/47/409656247.db2.gz BSXYLLQLYCNEBZ-VHSXEESVSA-N 0 3 292.343 -0.551 20 0 CAADHN Cc1nc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)nn1C ZINC000332082077 409711056 /nfs/dbraw/zinc/71/10/56/409711056.db2.gz ABATZDBLBJAPNW-SNVBAGLBSA-N 0 3 292.343 -0.631 20 0 CAADHN O=C(C[C@H]1CNCCO1)NCCNc1cnccn1 ZINC000430749175 409670422 /nfs/dbraw/zinc/67/04/22/409670422.db2.gz ULFITGBHPVSDEI-JTQLQIEISA-N 0 3 265.317 -0.617 20 0 CAADHN CNc1nnc(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)s1 ZINC000569000424 409671303 /nfs/dbraw/zinc/67/13/03/409671303.db2.gz NKOIJVMSLFYUBH-YUMQZZPRSA-N 0 3 285.373 -0.744 20 0 CAADHN O=C(C[C@@H]1CNCCO1)NCCNc1cnccn1 ZINC000430749176 409672477 /nfs/dbraw/zinc/67/24/77/409672477.db2.gz ULFITGBHPVSDEI-SNVBAGLBSA-N 0 3 265.317 -0.617 20 0 CAADHN O=C(COC1CNC1)NCCNc1cnccn1 ZINC000430745390 409672550 /nfs/dbraw/zinc/67/25/50/409672550.db2.gz XGOCWXVCHRSNDL-UHFFFAOYSA-N 0 3 251.290 -1.007 20 0 CAADHN CNc1nc(C)cc(C(=O)NC[C@@H]2CNCCO2)n1 ZINC000423993119 409672936 /nfs/dbraw/zinc/67/29/36/409672936.db2.gz PZECNPRQYHTTAM-VIFPVBQESA-N 0 3 265.317 -0.455 20 0 CAADHN COC(=O)Cn1ccc(NC(=O)CCOC2CNC2)n1 ZINC000348990162 409676493 /nfs/dbraw/zinc/67/64/93/409676493.db2.gz DQJWYPFYGBVCIW-UHFFFAOYSA-N 0 3 282.300 -0.627 20 0 CAADHN CC1(C)CN[C@H]1C(=O)Nc1ccn(CC(N)=O)n1 ZINC000644051202 409677167 /nfs/dbraw/zinc/67/71/67/409677167.db2.gz XFSUBBMIZLBJDZ-VIFPVBQESA-N 0 3 251.290 -0.695 20 0 CAADHN CC1(OCC(=O)Nc2ccn(CCC(N)=O)n2)CNC1 ZINC000648085854 409680239 /nfs/dbraw/zinc/68/02/39/409680239.db2.gz FHMGWWPECRHGHE-UHFFFAOYSA-N 0 3 281.316 -0.925 20 0 CAADHN CN1C[C@H](C(=O)NCCCN2CCN(C)CC2)NC1=O ZINC000665490024 409682403 /nfs/dbraw/zinc/68/24/03/409682403.db2.gz MJOYKINCHWWGBE-LLVKDONJSA-N 0 3 283.376 -1.236 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)NCCN1CCCC1 ZINC000665531692 409685382 /nfs/dbraw/zinc/68/53/82/409685382.db2.gz KYMRUOKVSBGHIM-UHFFFAOYSA-N 0 3 278.378 -1.406 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000665528742 409686631 /nfs/dbraw/zinc/68/66/31/409686631.db2.gz KWQFXIHKQSOZIL-NSHDSACASA-N 0 3 283.376 -1.284 20 0 CAADHN CCN(C)CCNC(=O)C(=O)Nc1ccn(CCOC)n1 ZINC000444575528 409690150 /nfs/dbraw/zinc/69/01/50/409690150.db2.gz YOCUBIKCMJXCJQ-UHFFFAOYSA-N 0 3 297.359 -0.464 20 0 CAADHN COCCn1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)n1 ZINC000357604088 409692036 /nfs/dbraw/zinc/69/20/36/409692036.db2.gz MFUYJJSAIMFILP-JTQLQIEISA-N 0 3 297.359 -0.466 20 0 CAADHN C[C@@H](CN(C)C)Nc1ccc(C(=O)NCCO)nn1 ZINC000343796569 409720960 /nfs/dbraw/zinc/72/09/60/409720960.db2.gz STENLZOXWKUESX-VIFPVBQESA-N 0 3 267.333 -0.439 20 0 CAADHN C[C@@H](N)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000430725583 409721542 /nfs/dbraw/zinc/72/15/42/409721542.db2.gz XYUJESNMXZXDJO-SNVBAGLBSA-N 0 3 267.333 -0.499 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1nc(N)nc(N(C)C)n1 ZINC000614849014 409725219 /nfs/dbraw/zinc/72/52/19/409725219.db2.gz VJKUPDGSCFKUGG-SSDOTTSWSA-N 0 3 283.336 -1.828 20 0 CAADHN Cn1ccc(NC(=O)C(=O)NCCNc2ccncc2)n1 ZINC000347865273 409725399 /nfs/dbraw/zinc/72/53/99/409725399.db2.gz ZOZQVJNKZDOMHK-UHFFFAOYSA-N 0 3 288.311 -0.596 20 0 CAADHN CN(C)c1nc(N)nc(CN2CC[C@@H]3OCCN[C@@H]3C2)n1 ZINC000404078437 409730033 /nfs/dbraw/zinc/73/00/33/409730033.db2.gz OHFGVKYFDKEGKK-ZJUUUORDSA-N 0 3 293.375 -0.918 20 0 CAADHN CN(C)c1nc(N)nc(C(=O)NC[C@]2(O)CCN(C)C2)n1 ZINC000565783178 409730483 /nfs/dbraw/zinc/73/04/83/409730483.db2.gz VAAZTNPGHXHNHB-GFCCVEGCSA-N 0 3 295.347 -1.684 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000353464830 409740091 /nfs/dbraw/zinc/74/00/91/409740091.db2.gz YVURHAVCLRNXGD-SSDOTTSWSA-N 0 3 286.361 -1.257 20 0 CAADHN Cc1onc(N)c1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000566299652 409744185 /nfs/dbraw/zinc/74/41/85/409744185.db2.gz GAETZUKWUIRHJO-MRVPVSSYSA-N 0 3 289.361 -1.171 20 0 CAADHN Cc1cc(NC(=O)CN(C)c2nc(N)nc(N)n2)no1 ZINC000623820080 409749416 /nfs/dbraw/zinc/74/94/16/409749416.db2.gz IXRYIFLNSCXKHX-UHFFFAOYSA-N 0 3 278.276 -1.340 20 0 CAADHN Nc1ncncc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000408035910 409751145 /nfs/dbraw/zinc/75/11/45/409751145.db2.gz NRXZHGWIMASKIZ-LLVKDONJSA-N 0 3 276.344 -0.935 20 0 CAADHN Nc1ncncc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000408035911 409751554 /nfs/dbraw/zinc/75/15/54/409751554.db2.gz NRXZHGWIMASKIZ-NSHDSACASA-N 0 3 276.344 -0.935 20 0 CAADHN C[C@@H](O)CN(CCO)CCC(=O)N1CCOCC1 ZINC000351930456 287084177 /nfs/dbraw/zinc/08/41/77/287084177.db2.gz ZPWJNVGZVUVOBP-LLVKDONJSA-N 0 3 260.334 -1.090 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195754116 782014330 /nfs/dbraw/zinc/01/43/30/782014330.db2.gz YGGQUNWAQBJVNZ-NXEZZACHSA-N 0 3 293.389 -1.374 20 0 CAADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195790224 782016206 /nfs/dbraw/zinc/01/62/06/782016206.db2.gz OYBJBOSXHHZQTD-GHMZBOCLSA-N 0 3 299.371 -1.160 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195789481 782017453 /nfs/dbraw/zinc/01/74/53/782017453.db2.gz HYPVXVSEKSMMIF-RKDXNWHRSA-N 0 3 255.318 -1.178 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)CC1 ZINC001195783724 782017076 /nfs/dbraw/zinc/01/70/76/782017076.db2.gz RNMWRJCVOUNVLD-NXEZZACHSA-N 0 3 267.329 -1.177 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422143551 287180876 /nfs/dbraw/zinc/18/08/76/287180876.db2.gz RPZQMQRTDGWKLP-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332658381 287180572 /nfs/dbraw/zinc/18/05/72/287180572.db2.gz OYYUOUQEUNLRLD-GHMZBOCLSA-N 0 3 294.355 -1.360 20 0 CAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC000004899768 170038065 /nfs/dbraw/zinc/03/80/65/170038065.db2.gz BVQMQRWLLWQCLL-IUCAKERBSA-N 0 3 251.290 -1.244 20 0 CAADHN CCN1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000020247762 171101401 /nfs/dbraw/zinc/10/14/01/171101401.db2.gz AACFCSYJIOEVDF-UHFFFAOYSA-N 0 3 262.379 -1.226 20 0 CAADHN CN1CCC(NS(=O)(=O)N2CCNCC2)CC1 ZINC000037267847 173079348 /nfs/dbraw/zinc/07/93/48/173079348.db2.gz RQQDORLFRPYYOT-UHFFFAOYSA-N 0 3 262.379 -1.180 20 0 CAADHN Cn1cc(CNC[C@H]2COCCO2)c(=O)n(C)c1=O ZINC000038060605 174071706 /nfs/dbraw/zinc/07/17/06/174071706.db2.gz VCUUQWLBLIINCT-JTQLQIEISA-N 0 3 269.301 -1.411 20 0 CAADHN O=S(=O)(NC[C@@H]1COCCO1)N1CCNCC1 ZINC000038063165 174074442 /nfs/dbraw/zinc/07/44/42/174074442.db2.gz URMACIDXCLSMJL-SECBINFHSA-N 0 3 265.335 -1.859 20 0 CAADHN CCCC[C@@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101552 174116756 /nfs/dbraw/zinc/11/67/56/174116756.db2.gz JHVJMJRXZDVECG-SECBINFHSA-N 0 3 278.378 -1.148 20 0 CAADHN CCCC[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101551 174116987 /nfs/dbraw/zinc/11/69/87/174116987.db2.gz JHVJMJRXZDVECG-VIFPVBQESA-N 0 3 278.378 -1.148 20 0 CAADHN COC(=O)N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000038101818 174117990 /nfs/dbraw/zinc/11/79/90/174117990.db2.gz UFSWFWZWXPUDFH-UHFFFAOYSA-N 0 3 270.333 -1.198 20 0 CAADHN COCCOC[C@@H](O)CN[C@H]1CCO[C@H]1C(=O)OC ZINC001195963969 782021045 /nfs/dbraw/zinc/02/10/45/782021045.db2.gz ZKOMWCMXDCKSKB-GARJFASQSA-N 0 3 277.317 -1.070 20 0 CAADHN COCCOC[C@H](O)CN[C@H]1CCO[C@H]1C(=O)OC ZINC001195963970 782021209 /nfs/dbraw/zinc/02/12/09/782021209.db2.gz ZKOMWCMXDCKSKB-OUAUKWLOSA-N 0 3 277.317 -1.070 20 0 CAADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)[C@@H]1CN ZINC000418798173 287325812 /nfs/dbraw/zinc/32/58/12/287325812.db2.gz GXKJHTKNNHRYGV-GMTAPVOTSA-N 0 3 296.371 -1.081 20 0 CAADHN COCCCN(C)CCNC(=O)CN1CCOCC1=O ZINC000344404270 225050240 /nfs/dbraw/zinc/05/02/40/225050240.db2.gz SAFCNMGULMSNTN-UHFFFAOYSA-N 0 3 287.360 -1.070 20 0 CAADHN COCCN(CCN(C)C)C(=O)CS(=O)(=O)N(C)C ZINC000344897561 225195960 /nfs/dbraw/zinc/19/59/60/225195960.db2.gz PLVFLZLZFPNVHR-UHFFFAOYSA-N 0 3 295.405 -1.086 20 0 CAADHN C[C@H](NC(=O)CN1CCN[C@@H](C)C1)C(=O)N(C)C ZINC000430919968 299053950 /nfs/dbraw/zinc/05/39/50/299053950.db2.gz SMNNSWHBIKLDGY-UWVGGRQHSA-N 0 3 256.350 -1.127 20 0 CAADHN CC[C@@](C)(NC[C@@H](O)CN1CCOCC1)C(N)=O ZINC000310827689 287391383 /nfs/dbraw/zinc/39/13/83/287391383.db2.gz FQGHGCZOJXQMRJ-ZYHUDNBSSA-N 0 3 259.350 -1.077 20 0 CAADHN C[C@H](CO)N1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000347243668 226077876 /nfs/dbraw/zinc/07/78/76/226077876.db2.gz UVBAEXFIHGHQRT-SNVBAGLBSA-N 0 3 283.332 -1.101 20 0 CAADHN NCC(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000347452642 226159028 /nfs/dbraw/zinc/15/90/28/226159028.db2.gz JNFJKBMKGNLGKP-UHFFFAOYSA-N 0 3 253.306 -1.154 20 0 CAADHN Cc1cccc(NCCNC(=O)CNC(=O)CN)n1 ZINC000347627578 226203403 /nfs/dbraw/zinc/20/34/03/226203403.db2.gz VTBZGGYPJFMBHZ-UHFFFAOYSA-N 0 3 265.317 -1.007 20 0 CAADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H](C)C[NH3+])cn1C ZINC000347667190 226215967 /nfs/dbraw/zinc/21/59/67/226215967.db2.gz KDWBPBQHAVLNKW-SSDOTTSWSA-N 0 3 289.361 -1.530 20 0 CAADHN CN(C(=O)CNC(=O)CN)[C@@H]1CCN(C2CC2)C1 ZINC000347660911 226229172 /nfs/dbraw/zinc/22/91/72/226229172.db2.gz UIKRKGGNCWDBBB-SNVBAGLBSA-N 0 3 254.334 -1.244 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2C[C@H](O)C[C@H]2CO)CC1=O ZINC000347735611 226232988 /nfs/dbraw/zinc/23/29/88/226232988.db2.gz QWEGMXBAPFOKRL-GRYCIOLGSA-N 0 3 299.371 -1.649 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2C[C@@H](O)C[C@H]2CO)CC1=O ZINC000347735619 226233478 /nfs/dbraw/zinc/23/34/78/226233478.db2.gz QWEGMXBAPFOKRL-WOPDTQHZSA-N 0 3 299.371 -1.649 20 0 CAADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)CNC(=O)CN ZINC000347701061 226239851 /nfs/dbraw/zinc/23/98/51/226239851.db2.gz TVCSAKVSKALBTK-WCBMZHEXSA-N 0 3 254.334 -1.340 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000348230127 226437743 /nfs/dbraw/zinc/43/77/43/226437743.db2.gz LDGYJCCZRIXSPF-VHSXEESVSA-N 0 3 288.348 -2.021 20 0 CAADHN C[C@H](NC(=O)CCOC1CNC1)C(=O)N1CCOCC1 ZINC000349059623 226540871 /nfs/dbraw/zinc/54/08/71/226540871.db2.gz SPQFTOPUSKKZSW-JTQLQIEISA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@@H](O)CN1CCN(C(=O)[C@@H]2CNCCO2)C[C@@H]1C ZINC000167992086 533682018 /nfs/dbraw/zinc/68/20/18/533682018.db2.gz LGMNDKZYDVBLJE-TUAOUCFPSA-N 0 3 271.361 -1.112 20 0 CAADHN COC[C@H](C(N)=O)N(C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000354569081 227037070 /nfs/dbraw/zinc/03/70/70/227037070.db2.gz JWUSOVSYJXZDLW-WDEREUQCSA-N 0 3 284.360 -1.665 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCCn1ccnn1 ZINC000354606007 227048038 /nfs/dbraw/zinc/04/80/38/227048038.db2.gz XVUILIBTANDHMD-UHFFFAOYSA-N 0 3 282.348 -1.196 20 0 CAADHN NC(=O)NC(=O)CCN1CCC[C@@]12CCNC2=O ZINC000575192832 335078738 /nfs/dbraw/zinc/07/87/38/335078738.db2.gz OOTCFNIWSVXRRC-NSHDSACASA-N 0 3 254.290 -1.074 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CN1CC(=O)N(C)C1=O ZINC001273710494 782023440 /nfs/dbraw/zinc/02/34/40/782023440.db2.gz WMLGKNIKYALJJC-UHFFFAOYSA-N 0 3 299.331 -2.196 20 0 CAADHN CNC(=O)NCC(=O)N1CCCN(CCCO)CC1 ZINC001196078450 782024438 /nfs/dbraw/zinc/02/44/38/782024438.db2.gz LGKSINCCMBMQQP-UHFFFAOYSA-N 0 3 272.349 -1.168 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000331425172 228099621 /nfs/dbraw/zinc/09/96/21/228099621.db2.gz FOAOFSSJGGILCS-DTWKUNHWSA-N 0 3 293.414 -1.172 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000353425723 228100719 /nfs/dbraw/zinc/10/07/19/228100719.db2.gz HPAFKQZIWLUWKS-VIFPVBQESA-N 0 3 272.349 -1.632 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC(C)(O)C2)CC1=O ZINC000331444181 228103278 /nfs/dbraw/zinc/10/32/78/228103278.db2.gz DDHOJGCYLOBZTD-SNVBAGLBSA-N 0 3 269.345 -1.010 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000353449623 228104435 /nfs/dbraw/zinc/10/44/35/228104435.db2.gz NVYOESYJUUKXGL-LBPRGKRZSA-N 0 3 298.387 -1.273 20 0 CAADHN CO[C@@H](CN)C(=O)NCCC(=O)Nc1ccncc1 ZINC000353475548 228107507 /nfs/dbraw/zinc/10/75/07/228107507.db2.gz YCRBHCYETHQBDT-JTQLQIEISA-N 0 3 266.301 -1.078 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CCOC[C@H](O)C2)CC1=O ZINC000331676590 228118407 /nfs/dbraw/zinc/11/84/07/228118407.db2.gz SSLNZGDRLRFMOW-VXGBXAGGSA-N 0 3 299.371 -1.384 20 0 CAADHN NC(C(=O)NCCCN1C(=O)CNC1=O)C(F)(F)F ZINC000353164799 228064956 /nfs/dbraw/zinc/06/49/56/228064956.db2.gz GGAPQHKHJPNDRJ-LURJTMIESA-N 0 3 282.222 -1.066 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000353184136 228067430 /nfs/dbraw/zinc/06/74/30/228067430.db2.gz PNHWJKBRRYNJPN-WHFBIAKZSA-N 0 3 255.196 -1.411 20 0 CAADHN CN(C)C[C@H]1CN(S(=O)(=O)C2COC2)CCO1 ZINC000330215125 228068604 /nfs/dbraw/zinc/06/86/04/228068604.db2.gz MEJVOELFAKPVHI-VIFPVBQESA-N 0 3 264.347 -1.023 20 0 CAADHN C[C@H](CN(C)C)NC(=O)NCCN1C(=O)CNC1=O ZINC000353296098 228082096 /nfs/dbraw/zinc/08/20/96/228082096.db2.gz OJSJVYTVIYAJQA-MRVPVSSYSA-N 0 3 271.321 -1.213 20 0 CAADHN C[C@H]1CN(C(=O)NCCN2CCNC(=O)C2)[C@@H](C)CN1 ZINC000333658919 228209015 /nfs/dbraw/zinc/20/90/15/228209015.db2.gz WTAMPOXGYCVTQC-QWRGUYRKSA-N 0 3 283.376 -1.190 20 0 CAADHN COCCN1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000332250090 228153396 /nfs/dbraw/zinc/15/33/96/228153396.db2.gz BZIWIIDCFJZOTI-UHFFFAOYSA-N 0 3 298.387 -1.401 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CN(C)S(C)(=O)=O ZINC000332510546 228162369 /nfs/dbraw/zinc/16/23/69/228162369.db2.gz MDHVHUPMDXOTBS-SNVBAGLBSA-N 0 3 281.378 -1.693 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC(=O)N1 ZINC000332621783 228164218 /nfs/dbraw/zinc/16/42/18/228164218.db2.gz NXVVAVFQXMAZLS-QWRGUYRKSA-N 0 3 294.355 -1.360 20 0 CAADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCNC(=O)C1 ZINC000332629176 228164289 /nfs/dbraw/zinc/16/42/89/228164289.db2.gz JBNYWLCMWWAWGG-GHMZBOCLSA-N 0 3 294.355 -1.360 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000332675798 228165052 /nfs/dbraw/zinc/16/50/52/228165052.db2.gz GMHRTPFKLQJFRK-LBPRGKRZSA-N 0 3 298.387 -1.451 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)C(=O)NCC1CC1 ZINC000351953095 228168464 /nfs/dbraw/zinc/16/84/64/228168464.db2.gz AUTJRZKTYCOERL-LBPRGKRZSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@H](N)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000167570283 228182495 /nfs/dbraw/zinc/18/24/95/228182495.db2.gz VOYCBJDTBIYHKK-RYUDHWBXSA-N 0 3 298.387 -1.275 20 0 CAADHN CN(C)CC[C@](C)(O)CNC(=O)CN(C)S(C)(=O)=O ZINC000352111021 228183661 /nfs/dbraw/zinc/18/36/61/228183661.db2.gz HXILBBGBRWQSCY-NSHDSACASA-N 0 3 295.405 -1.303 20 0 CAADHN CN(C)CC[C@@](C)(O)CNC(=O)Cn1ncn(C)c1=O ZINC000352124246 228185409 /nfs/dbraw/zinc/18/54/09/228185409.db2.gz WVILMBFVFRTJIA-GFCCVEGCSA-N 0 3 285.348 -1.599 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC000333363743 228198541 /nfs/dbraw/zinc/19/85/41/228198541.db2.gz UTSKCQJZQFHRMC-VIFPVBQESA-N 0 3 269.305 -1.179 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000333734183 228211673 /nfs/dbraw/zinc/21/16/73/228211673.db2.gz KKESKIYAVVCWRW-SDDRHHMPSA-N 0 3 269.345 -1.094 20 0 CAADHN O=C(NC[C@H]1CNCCO1)N1CCN(C2CC2)C(=O)C1 ZINC000333607706 228206780 /nfs/dbraw/zinc/20/67/80/228206780.db2.gz XNTQOOPDZFLNGT-LLVKDONJSA-N 0 3 282.344 -1.009 20 0 CAADHN CNC(=O)NCC(=O)N1CCCN(C[C@H](C)O)CC1 ZINC001196073487 782024810 /nfs/dbraw/zinc/02/48/10/782024810.db2.gz YNUKGQJMHGIGGH-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN Cc1cc(CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)ncn1 ZINC001196092229 782026182 /nfs/dbraw/zinc/02/61/82/782026182.db2.gz GCRVJILXLINCHV-AOOOYVTPSA-N 0 3 263.301 -1.196 20 0 CAADHN CCN(C)C(=O)CN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001196093473 782026346 /nfs/dbraw/zinc/02/63/46/782026346.db2.gz MMQNAMMGXTZGJU-OCAPTIKFSA-N 0 3 256.306 -2.017 20 0 CAADHN CN(C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000041749831 230155430 /nfs/dbraw/zinc/15/54/30/230155430.db2.gz QOKAKYTUAJHHJU-UHFFFAOYSA-N 0 3 254.290 -1.775 20 0 CAADHN C[C@@H](CN1CCOCC1)NCc1cn(C)c(=O)n(C)c1=O ZINC000036932528 230156297 /nfs/dbraw/zinc/15/62/97/230156297.db2.gz YHSVCKLUSCBOAG-NSHDSACASA-N 0 3 296.371 -1.106 20 0 CAADHN CN(C)CCNC(=O)CCCN1C(=O)CNC1=O ZINC000060781244 230160169 /nfs/dbraw/zinc/16/01/69/230160169.db2.gz SDLSFHFJJFSFNX-UHFFFAOYSA-N 0 3 256.306 -1.004 20 0 CAADHN CN(C)CCNC(=O)Cn1cnc2c(cnn2C)c1=O ZINC000054564918 230160766 /nfs/dbraw/zinc/16/07/66/230160766.db2.gz AXLSRKUKCASYRC-UHFFFAOYSA-N 0 3 278.316 -1.192 20 0 CAADHN COCCNCC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000092496115 230166480 /nfs/dbraw/zinc/16/64/80/230166480.db2.gz FFIZNASHBLPXSM-UHFFFAOYSA-N 0 3 280.350 -2.430 20 0 CAADHN CN(C(=O)CN1CCNCC1=O)C1CCN(C)CC1 ZINC000125276451 230171971 /nfs/dbraw/zinc/17/19/71/230171971.db2.gz HXHDBIJNCCOISQ-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN C[C@@]1(C(=O)N2CCN(S(N)(=O)=O)CC2)CCCCN1 ZINC000136153040 230180299 /nfs/dbraw/zinc/18/02/99/230180299.db2.gz BNYIUIFVSMMGMZ-NSHDSACASA-N 0 3 290.389 -1.134 20 0 CAADHN NC(=O)[C@H]1CN(CCNC(=O)C2CC2)C[C@H]1C(N)=O ZINC001196095605 782027115 /nfs/dbraw/zinc/02/71/15/782027115.db2.gz YPDHATLGEQBQNN-DTORHVGOSA-N 0 3 268.317 -1.969 20 0 CAADHN C[C@H](N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803652 230195946 /nfs/dbraw/zinc/19/59/46/230195946.db2.gz AHNYRQQTGOUYIK-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN COCCCN(C)CCNC(=O)Cn1ncn(C)c1=O ZINC000179516941 230197941 /nfs/dbraw/zinc/19/79/41/230197941.db2.gz MRQDSIJDXIZHTB-UHFFFAOYSA-N 0 3 285.348 -1.334 20 0 CAADHN Cn1cnn(CC(=O)NC[C@H]2CCCN2C)c1=O ZINC000179712687 230198227 /nfs/dbraw/zinc/19/82/27/230198227.db2.gz BLXYNKZVVXDSOX-SECBINFHSA-N 0 3 253.306 -1.208 20 0 CAADHN Cn1cnn(CC(=O)NC[C@@H]2CCCN2C)c1=O ZINC000179712673 230199721 /nfs/dbraw/zinc/19/97/21/230199721.db2.gz BLXYNKZVVXDSOX-VIFPVBQESA-N 0 3 253.306 -1.208 20 0 CAADHN C[C@@H]1CCNC(=O)[C@@H]1NCCN1C(=O)CNC1=O ZINC000193568948 230211744 /nfs/dbraw/zinc/21/17/44/230211744.db2.gz RNMCNBOHLBZEFZ-VXNVDRBHSA-N 0 3 254.290 -1.348 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000228754101 230213549 /nfs/dbraw/zinc/21/35/49/230213549.db2.gz OXSIZJNZKCIKBS-BXKDBHETSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CCN1C(=O)CCC1=O ZINC000228746911 230213653 /nfs/dbraw/zinc/21/36/53/230213653.db2.gz GEFKUVQLRJBDAF-CYBMUJFWSA-N 0 3 285.344 -1.046 20 0 CAADHN Cn1ccnc1[C@H]1CNCCN1CCNS(C)(=O)=O ZINC000261665532 230221478 /nfs/dbraw/zinc/22/14/78/230221478.db2.gz BIKWPLHHEIQCAF-SNVBAGLBSA-N 0 3 287.389 -1.084 20 0 CAADHN O=C([C@H]1C[C@H](O)CN1)N1CCN(C2CC2)C(=O)C1 ZINC000261934037 230221518 /nfs/dbraw/zinc/22/15/18/230221518.db2.gz JWPYSRIPLMWZCY-VHSXEESVSA-N 0 3 253.302 -1.458 20 0 CAADHN O=C(CCN1CCO[C@H](CO)C1)N1CCNCC1 ZINC000262138879 230223438 /nfs/dbraw/zinc/22/34/38/230223438.db2.gz OMUHNYGRHNUGAN-NSHDSACASA-N 0 3 257.334 -1.499 20 0 CAADHN COCCNCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000262124916 230223452 /nfs/dbraw/zinc/22/34/52/230223452.db2.gz MXXTVPPMXYDKIF-UHFFFAOYSA-N 0 3 284.316 -2.101 20 0 CAADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001196184725 782028336 /nfs/dbraw/zinc/02/83/36/782028336.db2.gz GKPUBOMYLQEKCB-WRWGMCAJSA-N 0 3 299.371 -1.304 20 0 CAADHN CCS(=O)(=O)NCCS(=O)(=O)N1CCCNCC1 ZINC000262747250 230230796 /nfs/dbraw/zinc/23/07/96/230230796.db2.gz MFHMHPFJQTYDAM-UHFFFAOYSA-N 0 3 299.418 -1.449 20 0 CAADHN COC[C@H](C(N)=O)N(C)C[C@H](O)CN(C)C1CC1 ZINC000339366082 230238184 /nfs/dbraw/zinc/23/81/84/230238184.db2.gz YCGXFECFKZJCLM-GHMZBOCLSA-N 0 3 259.350 -1.126 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)NCCC(C)(C)O ZINC000358456222 230245078 /nfs/dbraw/zinc/24/50/78/230245078.db2.gz MWVVXEOWHMPCIM-UHFFFAOYSA-N 0 3 289.376 -1.042 20 0 CAADHN CO[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN)CCO)C1(C)C ZINC000419187546 230251724 /nfs/dbraw/zinc/25/17/24/230251724.db2.gz IFJLYFSKJZIRAX-NXEZZACHSA-N 0 3 287.360 -1.304 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000419182449 230251916 /nfs/dbraw/zinc/25/19/16/230251916.db2.gz ZLAKIXVDMIOFER-GXSJLCMTSA-N 0 3 294.355 -1.184 20 0 CAADHN NCCNC(=O)C(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000419144300 230252162 /nfs/dbraw/zinc/25/21/62/230252162.db2.gz GPDOAQCCHAEJGC-JTQLQIEISA-N 0 3 290.323 -1.017 20 0 CAADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCNC[C@@H]2C)C1 ZINC000419727458 230253426 /nfs/dbraw/zinc/25/34/26/230253426.db2.gz LJGVKCWLMLQHDC-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN COCCN(C)CCNC(=O)C(=O)N1CCNC[C@@H]1C ZINC000419358714 230255202 /nfs/dbraw/zinc/25/52/02/230255202.db2.gz PQWFCRUCSBRLEJ-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCN[C@@H](C)C2)C1 ZINC000419734625 230256611 /nfs/dbraw/zinc/25/66/11/230256611.db2.gz VNPRKGQWAXNLPF-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN NC[C@H](NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1)C1CC1 ZINC000420055853 230260442 /nfs/dbraw/zinc/26/04/42/230260442.db2.gz GSRUGLZNUJRYJH-NSHDSACASA-N 0 3 294.355 -1.423 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420076156 230260580 /nfs/dbraw/zinc/26/05/80/230260580.db2.gz VJGMGNOSKPJRSE-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCNCC1 ZINC000423264970 230269729 /nfs/dbraw/zinc/26/97/29/230269729.db2.gz QJUBKDXRWYISAX-UHFFFAOYSA-N 0 3 286.376 -1.545 20 0 CAADHN COCCN1CCN(C(=O)C(=O)N(C)CCN)CC1=O ZINC000423553560 230270916 /nfs/dbraw/zinc/27/09/16/230270916.db2.gz IFUUKZDGGZKIIA-UHFFFAOYSA-N 0 3 286.332 -2.279 20 0 CAADHN COCCCOC1CN(C(=O)C(=O)N(C)CCN)C1 ZINC000423437294 230271353 /nfs/dbraw/zinc/27/13/53/230271353.db2.gz UFRVITYFUUKEPN-UHFFFAOYSA-N 0 3 273.333 -1.333 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)C[C@H](CO)O1 ZINC000423588271 230273876 /nfs/dbraw/zinc/27/38/76/230273876.db2.gz DQDMLTMFLFHZSK-IJLUTSLNSA-N 0 3 299.371 -1.066 20 0 CAADHN COCCN1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423660137 230276115 /nfs/dbraw/zinc/27/61/15/230276115.db2.gz FWZDQUNEFWPENE-GFCCVEGCSA-N 0 3 298.387 -1.273 20 0 CAADHN Cn1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]3N)CC2)c1=O ZINC000424149013 230278021 /nfs/dbraw/zinc/27/80/21/230278021.db2.gz VRRVYGXSIBZJIV-ZJUUUORDSA-N 0 3 277.328 -1.224 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000424134952 230278702 /nfs/dbraw/zinc/27/87/02/230278702.db2.gz LHSZKMSUSIQMNS-NWDGAFQWSA-N 0 3 296.371 -1.663 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000424148097 230279430 /nfs/dbraw/zinc/27/94/30/230279430.db2.gz TWPPHRJUAFGGHI-KXUCPTDWSA-N 0 3 251.290 -1.147 20 0 CAADHN CN(C)C[C@H]1CN(C(=O)[C@@H]2COCCN2)CCO1 ZINC000424181434 230279346 /nfs/dbraw/zinc/27/93/46/230279346.db2.gz RGCHGULVLJCSFZ-QWRGUYRKSA-N 0 3 257.334 -1.236 20 0 CAADHN Cc1cc(CN)cc(NC(=O)C(=O)N2C[C@@H](O)[C@H](O)C2)c1 ZINC000424472772 230280627 /nfs/dbraw/zinc/28/06/27/230280627.db2.gz VNOLAGNMMUIAMY-VXGBXAGGSA-N 0 3 293.323 -1.044 20 0 CAADHN COCC(C)(C)N1CCN(C(=O)[C@@H](N)CC(N)=O)CC1 ZINC000424215266 230281674 /nfs/dbraw/zinc/28/16/74/230281674.db2.gz FINWHSNFZHFSOJ-JTQLQIEISA-N 0 3 286.376 -1.242 20 0 CAADHN Cc1cc(CN)cc(NC(=O)C(=O)NC(CO)CO)c1 ZINC000424454903 230282557 /nfs/dbraw/zinc/28/25/57/230282557.db2.gz MQWAJIRITXQLJE-UHFFFAOYSA-N 0 3 281.312 -1.138 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000424553108 230284322 /nfs/dbraw/zinc/28/43/22/230284322.db2.gz YXHNFFBSQFYRMP-ZJUUUORDSA-N 0 3 280.332 -1.095 20 0 CAADHN CN(C)C(=O)Cn1cc(NC(=O)COC2CNC2)cn1 ZINC000430036733 230303478 /nfs/dbraw/zinc/30/34/78/230303478.db2.gz QFRZZBXCFUJGAK-UHFFFAOYSA-N 0 3 281.316 -1.102 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000430278262 230305196 /nfs/dbraw/zinc/30/51/96/230305196.db2.gz PNLFWUCKDDMGKI-UWVGGRQHSA-N 0 3 271.317 -1.532 20 0 CAADHN O=C(CN1CCNCC1=O)NCCN1CCCC1 ZINC000430830888 230308333 /nfs/dbraw/zinc/30/83/33/230308333.db2.gz RFZOBGPRYAJCEI-UHFFFAOYSA-N 0 3 254.334 -1.370 20 0 CAADHN COCCNCC(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000430808679 230308354 /nfs/dbraw/zinc/30/83/54/230308354.db2.gz NJJUZLCLBBFWPV-UHFFFAOYSA-N 0 3 286.376 -1.370 20 0 CAADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)C[C@H]1CNCCO1 ZINC000430900290 230310609 /nfs/dbraw/zinc/31/06/09/230310609.db2.gz PGUWBFPIHDYCCH-RYUDHWBXSA-N 0 3 298.387 -1.179 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COCCN1)CN1CCN(C)CC1 ZINC000431002988 230310736 /nfs/dbraw/zinc/31/07/36/230310736.db2.gz FCGIFHYEJGIAAO-OLZOCXBDSA-N 0 3 284.404 -1.026 20 0 CAADHN COCCNCC(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC000431004817 230311228 /nfs/dbraw/zinc/31/12/28/230311228.db2.gz KIQVGTPHSINWAQ-GFCCVEGCSA-N 0 3 272.393 -1.026 20 0 CAADHN COCCNCC(=O)NC[C@H](C)N1CCN(C)CC1 ZINC000431004818 230311504 /nfs/dbraw/zinc/31/15/04/230311504.db2.gz KIQVGTPHSINWAQ-LBPRGKRZSA-N 0 3 272.393 -1.026 20 0 CAADHN O[C@H](COCC(F)(F)F)CN1C[C@H](O)[C@@H](O)C1 ZINC000432810285 230315520 /nfs/dbraw/zinc/31/55/20/230315520.db2.gz VFVLTLLTHYSRSI-FXQIFTODSA-N 0 3 259.224 -1.036 20 0 CAADHN O[C@@H](COCC(F)(F)F)CN1C[C@@H](O)[C@@H](O)C1 ZINC000432810286 230315811 /nfs/dbraw/zinc/31/58/11/230315811.db2.gz VFVLTLLTHYSRSI-PRJMDXOYSA-N 0 3 259.224 -1.036 20 0 CAADHN COC[C@](C)(CCO)NCCN1C(=O)CNC1=O ZINC000444231450 230336013 /nfs/dbraw/zinc/33/60/13/230336013.db2.gz FHFCMUHCDKHGIL-NSHDSACASA-N 0 3 259.306 -1.085 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N(C)CCO)CC1=O ZINC000434745324 230318767 /nfs/dbraw/zinc/31/87/67/230318767.db2.gz GOWOFFZSABQWSS-JTQLQIEISA-N 0 3 257.334 -1.153 20 0 CAADHN CCS(=O)(=O)NCCS(=O)(=O)NCCNC ZINC000440336523 230327453 /nfs/dbraw/zinc/32/74/53/230327453.db2.gz AWRSHFXNYYPJBN-UHFFFAOYSA-N 0 3 273.380 -1.936 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)CN(CCO)CCO)C[C@H](C)O1 ZINC000441506438 230328403 /nfs/dbraw/zinc/32/84/03/230328403.db2.gz OHKNHWLTTKJIJP-XQQFMLRXSA-N 0 3 276.377 -1.257 20 0 CAADHN Cn1cc(N2CCN(C(=O)[C@H]3CCN3)CC2=O)cn1 ZINC000444129431 230335296 /nfs/dbraw/zinc/33/52/96/230335296.db2.gz IMXHTVXQFIDPFJ-SNVBAGLBSA-N 0 3 263.301 -1.043 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)CC(=O)N1C ZINC000459901025 230351451 /nfs/dbraw/zinc/35/14/51/230351451.db2.gz TZSSLXKTSLGTLN-SNVBAGLBSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)C[C@H](CO)O1 ZINC000459895120 230352344 /nfs/dbraw/zinc/35/23/44/230352344.db2.gz JGGKDSFDJQFXCV-GHMZBOCLSA-N 0 3 287.360 -1.385 20 0 CAADHN CN(C)CCOCCNC(=O)NCC(=O)N(C)C ZINC000471638775 230354005 /nfs/dbraw/zinc/35/40/05/230354005.db2.gz UWJCJNJTZCRHFR-UHFFFAOYSA-N 0 3 260.338 -1.048 20 0 CAADHN CN(C)C/C=C\C(=O)N1CCN(CC(N)=O)CC1 ZINC000492124549 230361643 /nfs/dbraw/zinc/36/16/43/230361643.db2.gz KUFYJMUCYSVSAE-ARJAWSKDSA-N 0 3 254.334 -1.266 20 0 CAADHN CN(C)C/C=C/C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000491962178 230361760 /nfs/dbraw/zinc/36/17/60/230361760.db2.gz JKVXYKQOVWNWOK-MPJRPATESA-N 0 3 254.290 -1.149 20 0 CAADHN C[C@H](NC(=O)[C@@H]1NC(=O)O[C@H]1C)C(=O)NCCN(C)C ZINC000496065636 230364361 /nfs/dbraw/zinc/36/43/61/230364361.db2.gz LUYNLZWCNOSKPX-XHNCKOQMSA-N 0 3 286.332 -1.334 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196422162 782036795 /nfs/dbraw/zinc/03/67/95/782036795.db2.gz WJVAFDACMXFWKE-IVZWLZJFSA-N 0 3 293.389 -1.505 20 0 CAADHN COCCN1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001196290343 782031692 /nfs/dbraw/zinc/03/16/92/782031692.db2.gz JYBXPWMLYWBDRH-GHMZBOCLSA-N 0 3 283.332 -1.455 20 0 CAADHN COCCN1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001196290343 782031698 /nfs/dbraw/zinc/03/16/98/782031698.db2.gz JYBXPWMLYWBDRH-GHMZBOCLSA-N 0 3 283.332 -1.455 20 0 CAADHN CN1CCN(CCCOC(=O)NC(N)=O)[C@@H](CO)C1 ZINC001196263131 782031925 /nfs/dbraw/zinc/03/19/25/782031925.db2.gz NMHBZSSNHATGSA-SECBINFHSA-N 0 3 274.321 -1.210 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)N(C)C ZINC001196267589 782032643 /nfs/dbraw/zinc/03/26/43/782032643.db2.gz DBAVQMAOXRRJRJ-KXUCPTDWSA-N 0 3 272.349 -2.027 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC ZINC001110480373 782036838 /nfs/dbraw/zinc/03/68/38/782036838.db2.gz FJYYITMTCPAAKF-KKOKHZNYSA-N 0 3 299.371 -1.149 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196422163 782036642 /nfs/dbraw/zinc/03/66/42/782036642.db2.gz WJVAFDACMXFWKE-OPRDCNLKSA-N 0 3 293.389 -1.505 20 0 CAADHN CCN(CCO)CCNC(=O)N[C@H]1CCN(C)C1=O ZINC000187314130 260137441 /nfs/dbraw/zinc/13/74/41/260137441.db2.gz IYATZRITRBNIAL-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000517959538 260326047 /nfs/dbraw/zinc/32/60/47/260326047.db2.gz IIUMWVIKRKHNQN-TUAOUCFPSA-N 0 3 271.361 -1.160 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCNC(=O)[C@@H]1C ZINC000518062772 260340054 /nfs/dbraw/zinc/34/00/54/260340054.db2.gz PQLMDIJMQMTNBX-QWRGUYRKSA-N 0 3 259.350 -1.254 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)CNCCOC ZINC000390304645 262294103 /nfs/dbraw/zinc/29/41/03/262294103.db2.gz BAHBWUXCTOLFQK-UHFFFAOYSA-N 0 3 267.351 -1.722 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000521413523 262316944 /nfs/dbraw/zinc/31/69/44/262316944.db2.gz VTHSSVJXJQPSOL-VHSXEESVSA-N 0 3 280.328 -1.656 20 0 CAADHN Cc1cc(O)cc(=O)n1CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000518795076 262336805 /nfs/dbraw/zinc/33/68/05/262336805.db2.gz XHMFFOUTRWFVEF-RYUDHWBXSA-N 0 3 295.339 -1.004 20 0 CAADHN O[C@@H](CN1CCOCC1)CN1CCc2nncn2CC1 ZINC001251010253 782038188 /nfs/dbraw/zinc/03/81/88/782038188.db2.gz VRKBBTJXLWFBIG-GFCCVEGCSA-N 0 3 281.360 -1.171 20 0 CAADHN CN1CCN(C(=O)CCNS(C)(=O)=O)[C@H](CN)C1 ZINC000518974450 265267718 /nfs/dbraw/zinc/26/77/18/265267718.db2.gz LYJBYWFDQGVSKL-SECBINFHSA-N 0 3 278.378 -1.973 20 0 CAADHN CN(C)[C@H]1CN(CC(=O)N2CCN(C)CC2)C[C@@H]1O ZINC000519176530 265352748 /nfs/dbraw/zinc/35/27/48/265352748.db2.gz AOGKPCYLYFOSGL-RYUDHWBXSA-N 0 3 270.377 -1.633 20 0 CAADHN CN1CC2(C1)CN(C[C@H](O)CN1CCOCC1)C2 ZINC001251024251 782038766 /nfs/dbraw/zinc/03/87/66/782038766.db2.gz RBAZRLYPBBBWAF-GFCCVEGCSA-N 0 3 255.362 -1.073 20 0 CAADHN CCN1CCCN(C(=O)CNS(=O)(=O)NC)CC1 ZINC001196649804 782038817 /nfs/dbraw/zinc/03/88/17/782038817.db2.gz YLBPMHXZVGSLLE-UHFFFAOYSA-N 0 3 278.378 -1.406 20 0 CAADHN COC[C@@H](O)CN1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001196724939 782040875 /nfs/dbraw/zinc/04/08/75/782040875.db2.gz SUMPWQPEWPGPMB-NWDGAFQWSA-N 0 3 299.371 -1.336 20 0 CAADHN O=C1CNC(=O)N1CCN1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001196674729 782040972 /nfs/dbraw/zinc/04/09/72/782040972.db2.gz IZKSAVHNFAEIFP-YUMQZZPRSA-N 0 3 253.258 -1.357 20 0 CAADHN COC[C@@H](O)CN1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001196724940 782041136 /nfs/dbraw/zinc/04/11/36/782041136.db2.gz SUMPWQPEWPGPMB-RYUDHWBXSA-N 0 3 299.371 -1.336 20 0 CAADHN CCN(CCO)CCNC(=O)NCCNC(C)=O ZINC000187075784 269086496 /nfs/dbraw/zinc/08/64/96/269086496.db2.gz KTDYNSYZRRQGPA-UHFFFAOYSA-N 0 3 260.338 -1.264 20 0 CAADHN CC(C(=O)N1CCN(CCO)[C@H](C)C1)S(C)(=O)=O ZINC000250123733 269087265 /nfs/dbraw/zinc/08/72/65/269087265.db2.gz VXALKYMGIKDEPV-ZJUUUORDSA-N 0 3 278.374 -1.056 20 0 CAADHN CCCNS(=O)(=O)NC[C@H]1CNCCN1C ZINC000394401464 269088178 /nfs/dbraw/zinc/08/81/78/269088178.db2.gz LWRVLYWNQDOLDU-SECBINFHSA-N 0 3 250.368 -1.276 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1N ZINC000517731347 269088685 /nfs/dbraw/zinc/08/86/85/269088685.db2.gz OKQGGCWUFFQBNT-HLTSFMKQSA-N 0 3 261.347 -1.126 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000194702065 269085838 /nfs/dbraw/zinc/08/58/38/269085838.db2.gz MMEXZIREDUEWIH-SNVBAGLBSA-N 0 3 280.328 -1.243 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN1CCCC1 ZINC000193465546 269085850 /nfs/dbraw/zinc/08/58/50/269085850.db2.gz MCXCEJUHQHCCKQ-UHFFFAOYSA-N 0 3 270.333 -1.549 20 0 CAADHN CN(C)CCN1CCN(C(=O)Cn2cnnn2)CC1 ZINC000192853474 269086597 /nfs/dbraw/zinc/08/65/97/269086597.db2.gz XIWWZWQCAGJJPE-UHFFFAOYSA-N 0 3 267.337 -1.621 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCCN1 ZINC000237155308 269086848 /nfs/dbraw/zinc/08/68/48/269086848.db2.gz RXTWKQSKZBYDGN-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1CCCCN1 ZINC000237155652 269087168 /nfs/dbraw/zinc/08/71/68/269087168.db2.gz RXTWKQSKZBYDGN-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN O=C(CNC(=O)[C@@H]1CCCCN1)NCCN1CCOCC1 ZINC000238144852 269087197 /nfs/dbraw/zinc/08/71/97/269087197.db2.gz VKPMCEYQKIDEGY-LBPRGKRZSA-N 0 3 298.387 -1.307 20 0 CAADHN COCCCN(C)CCNC(=O)CN1CCNCC1=O ZINC000237189397 269087326 /nfs/dbraw/zinc/08/73/26/269087326.db2.gz LXYGYJJBBQZBIP-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)C(C)(C)N)CC1 ZINC000236622491 269087542 /nfs/dbraw/zinc/08/75/42/269087542.db2.gz WTPDXGNHMCRFJN-UHFFFAOYSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCCN1 ZINC000237152360 269087559 /nfs/dbraw/zinc/08/75/59/269087559.db2.gz RXTWKQSKZBYDGN-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(C(=O)N1CCN(CCO)[C@@H](C)C1)S(C)(=O)=O ZINC000250123731 269087629 /nfs/dbraw/zinc/08/76/29/269087629.db2.gz VXALKYMGIKDEPV-UWVGGRQHSA-N 0 3 278.374 -1.056 20 0 CAADHN Cn1cc(C(N)=O)cc1C(=O)NC[C@H]1CNCCO1 ZINC000517235138 269088650 /nfs/dbraw/zinc/08/86/50/269088650.db2.gz HCINDRYTNPQCMI-SECBINFHSA-N 0 3 266.301 -1.158 20 0 CAADHN CNC(=O)[C@H]1CN(CCC(=O)N2CCNCC2)CCO1 ZINC000517031576 269088667 /nfs/dbraw/zinc/08/86/67/269088667.db2.gz NTPYGQFNLRMBMG-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H](C)N1CCCC1 ZINC000517703692 269088724 /nfs/dbraw/zinc/08/87/24/269088724.db2.gz WFENIUJNYOBQMC-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000517731162 269088758 /nfs/dbraw/zinc/08/87/58/269088758.db2.gz PAAHEDZLZMEHAN-UTUOFQBUSA-N 0 3 298.387 -1.683 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NC3CCC3)CCN2C1=O ZINC000518218205 269088782 /nfs/dbraw/zinc/08/87/82/269088782.db2.gz BXIKJHULTKANFX-UWVGGRQHSA-N 0 3 280.328 -1.575 20 0 CAADHN CC(C)OC(=O)[C@H](C)CNC(=O)C(=O)NC1CNC1 ZINC000517101665 269089061 /nfs/dbraw/zinc/08/90/61/269089061.db2.gz PAFBTSKATRNMGT-MRVPVSSYSA-N 0 3 271.317 -1.222 20 0 CAADHN CN(CC1(CO)CC1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000518514733 269089353 /nfs/dbraw/zinc/08/93/53/269089353.db2.gz PFJKDTAWVDEMSN-NSHDSACASA-N 0 3 298.387 -1.681 20 0 CAADHN CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000519821394 269089504 /nfs/dbraw/zinc/08/95/04/269089504.db2.gz OMSOYWQRGPANLT-SMDDNHRTSA-N 0 3 298.387 -1.539 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN(CC(F)F)CC1 ZINC000519635489 269089509 /nfs/dbraw/zinc/08/95/09/269089509.db2.gz ZXPIBGWVIJEYRY-UHFFFAOYSA-N 0 3 276.287 -1.516 20 0 CAADHN O=C(CN1CCOCC1=O)NCCNc1ccncc1 ZINC000521774680 269089643 /nfs/dbraw/zinc/08/96/43/269089643.db2.gz MKKPMAXWAPOXAL-UHFFFAOYSA-N 0 3 278.312 -1.110 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCOCCS(N)(=O)=O)C1 ZINC000521270396 269089654 /nfs/dbraw/zinc/08/96/54/269089654.db2.gz NNBFCQCOOIYPIS-SNVBAGLBSA-N 0 3 293.389 -1.251 20 0 CAADHN CCN1C[C@H](C(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000522001304 269089962 /nfs/dbraw/zinc/08/99/62/269089962.db2.gz PKYSRISQMMVKGF-GHMZBOCLSA-N 0 3 268.361 -1.044 20 0 CAADHN C[C@@H]1CCN(CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000525803865 269090031 /nfs/dbraw/zinc/09/00/31/269090031.db2.gz VXGHTCHEEOZJCE-SECBINFHSA-N 0 3 296.327 -1.135 20 0 CAADHN CCS(=O)(=O)NCCCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000522011364 269090042 /nfs/dbraw/zinc/09/00/42/269090042.db2.gz LNKXDHYRCCLENB-QWRGUYRKSA-N 0 3 279.406 -1.078 20 0 CAADHN N[C@@H]1C[C@H]2CN(CC(=O)NC(=O)NC3CC3)CCN2C1=O ZINC000522015660 269090053 /nfs/dbraw/zinc/09/00/53/269090053.db2.gz YVBFLSPOTVXOJM-VHSXEESVSA-N 0 3 295.343 -1.782 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@@H]1O ZINC000522012827 269090232 /nfs/dbraw/zinc/09/02/32/269090232.db2.gz XJXNUNNJMVSHGJ-GUBZILKMSA-N 0 3 255.318 -1.402 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN1CC[C@@H](C)C1 ZINC000525805536 269090508 /nfs/dbraw/zinc/09/05/08/269090508.db2.gz PHVXEGUBXYCZLK-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@@H]1CC[N@H+](CCNC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000525291139 269090543 /nfs/dbraw/zinc/09/05/43/269090543.db2.gz PYVUJLHYKMYHAT-SECBINFHSA-N 0 3 268.317 -1.004 20 0 CAADHN C[C@@H]1CC[N@@H+](CCNC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000525291139 269090545 /nfs/dbraw/zinc/09/05/45/269090545.db2.gz PYVUJLHYKMYHAT-SECBINFHSA-N 0 3 268.317 -1.004 20 0 CAADHN C[C@H](O)CN(C(=O)[C@@H]1CN2CCN1CCC2)[C@@H](C)CO ZINC000527481774 269091081 /nfs/dbraw/zinc/09/10/81/269091081.db2.gz CTCGAXYKWSTFCS-AVGNSLFASA-N 0 3 285.388 -1.034 20 0 CAADHN C[C@H](CO)N(C[C@H](C)O)C(=O)[C@H]1CN2CCN1CCC2 ZINC000527481775 269091181 /nfs/dbraw/zinc/09/11/81/269091181.db2.gz CTCGAXYKWSTFCS-FRRDWIJNSA-N 0 3 285.388 -1.034 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)O1 ZINC000527552744 269091746 /nfs/dbraw/zinc/09/17/46/269091746.db2.gz DSEAGJIYZPCXIA-NOOOWODRSA-N 0 3 271.361 -1.161 20 0 CAADHN COCCN1CC[C@H](NC(=O)NC[C@H]2COCCN2)C1 ZINC000529310633 269092206 /nfs/dbraw/zinc/09/22/06/269092206.db2.gz RBLLUBYECSBQTR-RYUDHWBXSA-N 0 3 286.376 -1.005 20 0 CAADHN CN1CCC[C@H](NC(=O)NC[C@H]2CNCCO2)C1=O ZINC000529345328 269093191 /nfs/dbraw/zinc/09/31/91/269093191.db2.gz VAUOQETXDLYZPI-ZJUUUORDSA-N 0 3 270.333 -1.105 20 0 CAADHN CN1CCN(C(=O)NC[C@H]2COCCN2)[C@@H](CN)C1 ZINC000529389069 269093306 /nfs/dbraw/zinc/09/33/06/269093306.db2.gz QIWQTRBZPIUFPR-QWRGUYRKSA-N 0 3 271.365 -1.741 20 0 CAADHN CN1CCN(C(=O)N[C@H]2CCCN(C)C2=O)[C@@H](CN)C1 ZINC000529357524 269093419 /nfs/dbraw/zinc/09/34/19/269093419.db2.gz CQWYOTYZXQJWTR-QWRGUYRKSA-N 0 3 283.376 -1.109 20 0 CAADHN CN1CCN(C(=O)N[C@H]2CCCN(C)C2=O)[C@H](CN)C1 ZINC000529357523 269093483 /nfs/dbraw/zinc/09/34/83/269093483.db2.gz CQWYOTYZXQJWTR-MNOVXSKESA-N 0 3 283.376 -1.109 20 0 CAADHN C[C@@H]1CN(CCO)CCN1C(=O)NC[C@H]1COCCN1 ZINC000529387821 269093768 /nfs/dbraw/zinc/09/37/68/269093768.db2.gz MOBIDVQHSKGDIR-NEPJUHHUSA-N 0 3 286.376 -1.317 20 0 CAADHN CN1CCN(C(=O)NC[C@@H]2COCCN2)[C@H](CN)C1 ZINC000529389062 269093785 /nfs/dbraw/zinc/09/37/85/269093785.db2.gz QIWQTRBZPIUFPR-GHMZBOCLSA-N 0 3 271.365 -1.741 20 0 CAADHN CN1CCC[C@H](NC(=O)NC[C@@H]2CNCCO2)C1=O ZINC000529345325 269093839 /nfs/dbraw/zinc/09/38/39/269093839.db2.gz VAUOQETXDLYZPI-UWVGGRQHSA-N 0 3 270.333 -1.105 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN1CC[C@H](C)C1 ZINC000531201777 269095177 /nfs/dbraw/zinc/09/51/77/269095177.db2.gz YOYGJXNVQSZMPM-VIFPVBQESA-N 0 3 263.363 -1.006 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN1CC[C@@H](C)C1 ZINC000531201759 269095256 /nfs/dbraw/zinc/09/52/56/269095256.db2.gz YOYGJXNVQSZMPM-SECBINFHSA-N 0 3 263.363 -1.006 20 0 CAADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000531821187 269095832 /nfs/dbraw/zinc/09/58/32/269095832.db2.gz JILRAUQQFYIEHK-WCBMZHEXSA-N 0 3 292.343 -1.024 20 0 CAADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000531821188 269096019 /nfs/dbraw/zinc/09/60/19/269096019.db2.gz JILRAUQQFYIEHK-WPRPVWTQSA-N 0 3 292.343 -1.024 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCN(CCCC(=O)NC(N)=O)C1 ZINC000532757900 269096168 /nfs/dbraw/zinc/09/61/68/269096168.db2.gz HGIKZAXMXRGSLI-MRVPVSSYSA-N 0 3 292.361 -1.415 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)C1CCC1 ZINC001152303949 782041919 /nfs/dbraw/zinc/04/19/19/782041919.db2.gz LFGRVXPLBHDJFS-UHFFFAOYSA-N 0 3 270.333 -1.646 20 0 CAADHN CCN1C[C@@H](O)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001196953916 782043781 /nfs/dbraw/zinc/04/37/81/782043781.db2.gz KYDKEVCZKVABOY-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H]2CN(CCCOC)C[C@H]2O)CC1 ZINC001196910805 782044297 /nfs/dbraw/zinc/04/42/97/782044297.db2.gz CLLWQUUBUPLTQM-GHMZBOCLSA-N 0 3 299.371 -1.290 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001197058678 782045512 /nfs/dbraw/zinc/04/55/12/782045512.db2.gz WNJDKMCMRNUHQM-NXEZZACHSA-N 0 3 272.349 -2.025 20 0 CAADHN C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001197042135 782047577 /nfs/dbraw/zinc/04/75/77/782047577.db2.gz TVXYGKQNYLBZTR-IVZWLZJFSA-N 0 3 283.332 -1.259 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197153723 782049159 /nfs/dbraw/zinc/04/91/59/782049159.db2.gz AVPIFGQHYRBHQC-NXEZZACHSA-N 0 3 268.321 -1.366 20 0 CAADHN CC(C)C(=O)NCCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336826428 275558868 /nfs/dbraw/zinc/55/88/68/275558868.db2.gz OJLARLLHICEDHJ-LLVKDONJSA-N 0 3 286.376 -1.026 20 0 CAADHN CCN1CCN(CCC(=O)N2CCOC[C@@H]2C(N)=O)CC1 ZINC000355022907 276194154 /nfs/dbraw/zinc/19/41/54/276194154.db2.gz NSTWYTXSXZITTP-GFCCVEGCSA-N 0 3 298.387 -1.273 20 0 CAADHN CCN(C)C(=O)CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000361690607 276303168 /nfs/dbraw/zinc/30/31/68/276303168.db2.gz ZQWUKCYDXVWIIM-GFCCVEGCSA-N 0 3 272.349 -1.170 20 0 CAADHN CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1=O ZINC000423647937 276379890 /nfs/dbraw/zinc/37/98/90/276379890.db2.gz NJYQUVDVALVFFO-SNVBAGLBSA-N 0 3 282.344 -1.373 20 0 CAADHN CCN1CCN(C(=O)C(=O)NCCN)[C@@H](C)C1=O ZINC000419831933 276380118 /nfs/dbraw/zinc/38/01/18/276380118.db2.gz ILWMIWQCQOKZIK-QMMMGPOBSA-N 0 3 256.306 -1.860 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000515646040 276391487 /nfs/dbraw/zinc/39/14/87/276391487.db2.gz QFFAMILNAGJXPN-NEPJUHHUSA-N 0 3 270.377 -1.192 20 0 CAADHN CN(CCN)C(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000419194332 276941245 /nfs/dbraw/zinc/94/12/45/276941245.db2.gz PVJQFLMZTJHERZ-SECBINFHSA-N 0 3 284.360 -1.081 20 0 CAADHN CN1CC[C@@H]2OCCN(C(=O)CN3CCOCC3=O)[C@H]2C1 ZINC000328986728 277150645 /nfs/dbraw/zinc/15/06/45/277150645.db2.gz BYDXAQDZIAYPCT-RYUDHWBXSA-N 0 3 297.355 -1.223 20 0 CAADHN CN1CC[C@@H]2OCCN(C(=O)CN3CN=NC3=O)[C@H]2C1 ZINC000329053775 277150799 /nfs/dbraw/zinc/15/07/99/277150799.db2.gz XHGQXTKPWNBPII-UWVGGRQHSA-N 0 3 281.316 -1.085 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC000358067166 277158734 /nfs/dbraw/zinc/15/87/34/277158734.db2.gz PCFBQFGQARXFHB-CYBMUJFWSA-N 0 3 278.312 -1.023 20 0 CAADHN CC(C)(C)N1C[C@H](NC(=O)C(=O)NCCN)CC1=O ZINC000419196302 277161655 /nfs/dbraw/zinc/16/16/55/277161655.db2.gz TUFPIUKCNIQTAI-MRVPVSSYSA-N 0 3 270.333 -1.423 20 0 CAADHN CN1CC[C@H]2OCCN(C(=O)[C@H]3CNCCO3)[C@H]2C1 ZINC000424186721 277179741 /nfs/dbraw/zinc/17/97/41/277179741.db2.gz TVUCXPWGTADKGH-QJPTWQEYSA-N 0 3 269.345 -1.094 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN)C[C@H]1OC ZINC000423637228 277297248 /nfs/dbraw/zinc/29/72/48/277297248.db2.gz BXSQYLHGSHXZBU-HBNTYKKESA-N 0 3 285.344 -1.192 20 0 CAADHN C[C@@H](N)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000237328674 277596471 /nfs/dbraw/zinc/59/64/71/277596471.db2.gz QDMQUPIEDWHDRV-ZCFIWIBFSA-N 0 3 277.284 -1.082 20 0 CAADHN CC(C)[C@@](C)(CO)NCC(=O)N1CCNC(=O)C1 ZINC000352906848 277849709 /nfs/dbraw/zinc/84/97/09/277849709.db2.gz DQGHCZXUAUDRCO-GFCCVEGCSA-N 0 3 257.334 -1.059 20 0 CAADHN CC(C)[C@](C)(CO)NCC(=O)N1CCNC(=O)C1 ZINC000352906849 277984113 /nfs/dbraw/zinc/98/41/13/277984113.db2.gz DQGHCZXUAUDRCO-LBPRGKRZSA-N 0 3 257.334 -1.059 20 0 CAADHN CC(=O)NCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152279590 278093168 /nfs/dbraw/zinc/09/31/68/278093168.db2.gz KMNJHNRROQCWGP-LBPRGKRZSA-N 0 3 296.371 -1.113 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCN[C@H](C)[C@H]1C ZINC000434705159 278094999 /nfs/dbraw/zinc/09/49/99/278094999.db2.gz DQLJDZJZAKOUFT-RKDXNWHRSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCNC(C)(C)C1 ZINC000331052748 278095034 /nfs/dbraw/zinc/09/50/34/278095034.db2.gz MUMLICMCISNEPW-UHFFFAOYSA-N 0 3 270.333 -1.551 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000356358233 278095449 /nfs/dbraw/zinc/09/54/49/278095449.db2.gz XOMNOUMAWVUEHG-RKDXNWHRSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1C[C@H](C)NC[C@H]1C ZINC000356358215 278095547 /nfs/dbraw/zinc/09/55/47/278095547.db2.gz XOMNOUMAWVUEHG-DTWKUNHWSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)NCCCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358658053 278101604 /nfs/dbraw/zinc/10/16/04/278101604.db2.gz FLBLEYXQISYTFJ-LBPRGKRZSA-N 0 3 272.349 -1.122 20 0 CAADHN CC(=O)N[C@H](CC(=O)N(C)CCN(C)C1CC1)C(N)=O ZINC000354080992 278167204 /nfs/dbraw/zinc/16/72/04/278167204.db2.gz AYIZKGWWRMYNMS-LLVKDONJSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](CN)N(C)C(=O)CN1CCS(=O)(=O)CC1 ZINC000429322318 278182220 /nfs/dbraw/zinc/18/22/20/278182220.db2.gz KCCIHRGKBDMAKH-SECBINFHSA-N 0 3 263.363 -1.478 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000419190888 278182730 /nfs/dbraw/zinc/18/27/30/278182730.db2.gz MCLICBLXUJJVBW-RKDXNWHRSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000420033618 278247669 /nfs/dbraw/zinc/24/76/69/278247669.db2.gz WCXFTPHYBNPFQY-GUBZILKMSA-N 0 3 282.344 -1.281 20 0 CAADHN CC(C)(C(N)=O)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000430802563 278278900 /nfs/dbraw/zinc/27/89/00/278278900.db2.gz NCDMHIRCCJIGDQ-NSHDSACASA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354651641 278433607 /nfs/dbraw/zinc/43/36/07/278433607.db2.gz COQCQBROGSHQNE-SNVBAGLBSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420076157 278433634 /nfs/dbraw/zinc/43/36/34/278433634.db2.gz VJGMGNOSKPJRSE-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC(=O)N(C)C2)[C@@H]1CN ZINC000418798185 278473316 /nfs/dbraw/zinc/47/33/16/278473316.db2.gz GXKJHTKNNHRYGV-OUAUKWLOSA-N 0 3 296.371 -1.081 20 0 CAADHN CCCN1CCCN(C(=O)C(=O)N[C@@H](C)CN)CC1=O ZINC000420021187 278806082 /nfs/dbraw/zinc/80/60/82/278806082.db2.gz HBNDAPDLXQGOLN-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CC(C)CN1CCN(C(=O)[C@@H](N)CC(N)=O)CC1 ZINC000037821727 278891015 /nfs/dbraw/zinc/89/10/15/278891015.db2.gz ZODKYBLERRVKAU-JTQLQIEISA-N 0 3 256.350 -1.011 20 0 CAADHN CC(C)CN1CCN(C(=O)[C@H](N)CC(N)=O)CC1 ZINC000037821726 278893028 /nfs/dbraw/zinc/89/30/28/278893028.db2.gz ZODKYBLERRVKAU-SNVBAGLBSA-N 0 3 256.350 -1.011 20 0 CAADHN CCN(CCNC(=O)C(=O)N1CCNC(=O)[C@H]1C)C1CC1 ZINC000359274712 279189984 /nfs/dbraw/zinc/18/99/84/279189984.db2.gz FLHRZZPTZNHYCE-SNVBAGLBSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000332737258 279293492 /nfs/dbraw/zinc/29/34/92/279293492.db2.gz WCXFTPHYBNPFQY-UTLUCORTSA-N 0 3 282.344 -1.281 20 0 CAADHN CCN1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)[C@H](C)C1=O ZINC000420070703 279337603 /nfs/dbraw/zinc/33/76/03/279337603.db2.gz WZQBPNOTUNZZDU-KOLCDFICSA-N 0 3 296.371 -1.081 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 ZINC001197367472 782051991 /nfs/dbraw/zinc/05/19/91/782051991.db2.gz NRQJHCUVNBBYBQ-GHMZBOCLSA-N 0 3 297.359 -1.097 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000424162639 279680646 /nfs/dbraw/zinc/68/06/46/279680646.db2.gz ZYYWTHXMZKUAOP-OUAUKWLOSA-N 0 3 266.345 -1.244 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCCNCC2)CC(=O)N1C ZINC000423610792 279780113 /nfs/dbraw/zinc/78/01/13/279780113.db2.gz NGKFNALUPGAVDG-JTQLQIEISA-N 0 3 282.344 -1.503 20 0 CAADHN O=C(CNC[C@H]1CCCO1)N1CCO[C@@H](CO)C1 ZINC000430544792 279781419 /nfs/dbraw/zinc/78/14/19/279781419.db2.gz UVJVIMWVLVGHTK-GHMZBOCLSA-N 0 3 258.318 -1.025 20 0 CAADHN CC(C)[C@@H](CCO)NCC(=O)N1CCNC(=O)C1 ZINC000330877744 279830184 /nfs/dbraw/zinc/83/01/84/279830184.db2.gz LAMVFVNPWLUZGD-SNVBAGLBSA-N 0 3 257.334 -1.059 20 0 CAADHN CCN1CCCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC1 ZINC001197354156 782052156 /nfs/dbraw/zinc/05/21/56/782052156.db2.gz PSMLUAJSNJWVLP-NSHDSACASA-N 0 3 284.360 -1.079 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)COCc2nncn2C)C1 ZINC001197382233 782052213 /nfs/dbraw/zinc/05/22/13/782052213.db2.gz ZFIOCHJGIQMLSY-GHMZBOCLSA-N 0 3 297.359 -1.099 20 0 CAADHN CC[C@@H]1CN(C(=O)[C@@H](N)CC(N)=O)CCN1C[C@H](C)O ZINC000438885214 280366241 /nfs/dbraw/zinc/36/62/41/280366241.db2.gz SNCMNAVQEHVUOI-AXFHLTTASA-N 0 3 286.376 -1.507 20 0 CAADHN CC[C@H]1CN(C(=O)CNC(=O)CN)CCN1C[C@@H](C)O ZINC000262377408 281132616 /nfs/dbraw/zinc/13/26/16/281132616.db2.gz JVBSBXKLJORRDK-MNOVXSKESA-N 0 3 286.376 -1.635 20 0 CAADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H](N)CC(N)=O ZINC000094460198 288303680 /nfs/dbraw/zinc/30/36/80/288303680.db2.gz RGXAFLFTFANGJI-OPRDCNLKSA-N 0 3 254.334 -1.116 20 0 CAADHN CN(C)C/C=C/C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000372527934 282018646 /nfs/dbraw/zinc/01/86/46/282018646.db2.gz VNHDWDQNEWWEEL-ZYOFXKKJSA-N 0 3 298.387 -1.251 20 0 CAADHN CN(C)C/C=C\C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000493386109 282021138 /nfs/dbraw/zinc/02/11/38/282021138.db2.gz KYBPKUFWWCNCHG-FHMRSRPSSA-N 0 3 255.318 -1.057 20 0 CAADHN CN(C)C(=O)CCN1CCN(C(=O)[C@H]2CNCCO2)CC1 ZINC000430800259 288945662 /nfs/dbraw/zinc/94/56/62/288945662.db2.gz QEPUYECAEFKMDB-GFCCVEGCSA-N 0 3 298.387 -1.403 20 0 CAADHN CN(C)C/C=C\C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000492722794 289039955 /nfs/dbraw/zinc/03/99/55/289039955.db2.gz VNHDWDQNEWWEEL-RXNFCKPNSA-N 0 3 298.387 -1.251 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCC(N)=O)CC1=O ZINC000266913079 289157153 /nfs/dbraw/zinc/15/71/53/289157153.db2.gz TUCCALPGCZFZIM-VIFPVBQESA-N 0 3 270.333 -1.612 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000419200366 289539963 /nfs/dbraw/zinc/53/99/63/289539963.db2.gz FEYQEWZCKGPHQH-DBIOUOCHSA-N 0 3 296.371 -1.083 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424493961 289645898 /nfs/dbraw/zinc/64/58/98/289645898.db2.gz LWUVNTDKXARMEA-SNVBAGLBSA-N 0 3 280.332 -1.141 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001197573820 782053935 /nfs/dbraw/zinc/05/39/35/782053935.db2.gz OROJIOPCJPPUGA-UWVGGRQHSA-N 0 3 266.363 -1.135 20 0 CAADHN COC[C@H](O)CN1CC[C@H](CNS(C)(=O)=O)C1 ZINC001197573818 782053794 /nfs/dbraw/zinc/05/37/94/782053794.db2.gz OROJIOPCJPPUGA-NXEZZACHSA-N 0 3 266.363 -1.135 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)[C@H](CN)C1 ZINC000515233298 290007099 /nfs/dbraw/zinc/00/70/99/290007099.db2.gz XOXIFVLHWLZTQA-BXUZGUMPSA-N 0 3 298.387 -1.539 20 0 CAADHN C[C@H](O)CN(CCO)C[C@H](O)CN1CCOCC1 ZINC000336793461 290081127 /nfs/dbraw/zinc/08/11/27/290081127.db2.gz WUJTYYCFHYOZOJ-NWDGAFQWSA-N 0 3 262.350 -1.645 20 0 CAADHN C[C@H](O)CN1CCN(C(=O)[C@@H]2CNCCO2)C[C@H]1C ZINC000246263999 290104962 /nfs/dbraw/zinc/10/49/62/290104962.db2.gz LGMNDKZYDVBLJE-WOPDTQHZSA-N 0 3 271.361 -1.112 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CN1C(=O)CCC1=O ZINC001273744901 782054191 /nfs/dbraw/zinc/05/41/91/782054191.db2.gz JYWZUFYJOBOWDM-UHFFFAOYSA-N 0 3 284.316 -1.941 20 0 CAADHN C[C@H]1CCCN(C(=O)C(=O)N2CCNC(=O)C2)[C@@H]1CN ZINC000423732613 290421936 /nfs/dbraw/zinc/42/19/36/290421936.db2.gz MTPWNKGJOQSXGX-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCC[C@@H]1C(=O)NC ZINC000429780695 290487720 /nfs/dbraw/zinc/48/77/20/290487720.db2.gz CLOIENONPAFMFW-YUMQZZPRSA-N 0 3 256.306 -1.054 20 0 CAADHN CS(=O)(=O)NC[C@H]1CCN(CCOCCO)C1 ZINC001197573051 782055245 /nfs/dbraw/zinc/05/52/45/782055245.db2.gz HKTPYSUEOYFCJZ-SNVBAGLBSA-N 0 3 266.363 -1.134 20 0 CAADHN COCCOc1ncccc1C(=O)NCCNCC(N)=O ZINC001152335049 782055324 /nfs/dbraw/zinc/05/53/24/782055324.db2.gz XTOHUYFNJXJOAH-UHFFFAOYSA-N 0 3 296.327 -1.089 20 0 CAADHN Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC[NH3+])cn1C ZINC000428737629 293354449 /nfs/dbraw/zinc/35/44/49/293354449.db2.gz LJEZENDRPVPZJE-UHFFFAOYSA-N 0 3 289.361 -1.528 20 0 CAADHN COC[C@H](O)CN1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001197759608 782058097 /nfs/dbraw/zinc/05/80/97/782058097.db2.gz FWHHXKZUBSQKHN-LLVKDONJSA-N 0 3 297.359 -1.111 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198071116 782060579 /nfs/dbraw/zinc/06/05/79/782060579.db2.gz LHBHTULXDIDYMH-SNVBAGLBSA-N 0 3 272.349 -1.040 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O ZINC001198021325 782060937 /nfs/dbraw/zinc/06/09/37/782060937.db2.gz YEISQYYPPRAXGW-GHMZBOCLSA-N 0 3 286.376 -1.765 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001198046411 782060867 /nfs/dbraw/zinc/06/08/67/782060867.db2.gz CSBIAXANEXPOES-VXGBXAGGSA-N 0 3 273.377 -1.128 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1O ZINC001198030391 782061243 /nfs/dbraw/zinc/06/12/43/782061243.db2.gz ZMVXTJWGHAPYTA-HBNTYKKESA-N 0 3 286.376 -1.637 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001198021364 782061054 /nfs/dbraw/zinc/06/10/54/782061054.db2.gz ZJNNGXJNUQZKII-NXEZZACHSA-N 0 3 272.349 -2.025 20 0 CAADHN Cc1sc(=O)n(CC(=O)NCCNCC(N)=O)c1C ZINC001152404416 782062938 /nfs/dbraw/zinc/06/29/38/782062938.db2.gz BJYLIOMWEKIWCN-UHFFFAOYSA-N 0 3 286.357 -1.282 20 0 CAADHN NC(=O)NC(=O)CCN1CCN2CCOC[C@@H]2C1 ZINC000368211940 295071870 /nfs/dbraw/zinc/07/18/70/295071870.db2.gz KCFJRTXIPUBTSW-VIFPVBQESA-N 0 3 256.306 -1.412 20 0 CAADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CNCCO1 ZINC000430904689 295111502 /nfs/dbraw/zinc/11/15/02/295111502.db2.gz UXAMRMHGVURGTK-WDEREUQCSA-N 0 3 284.360 -1.569 20 0 CAADHN NC(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CNCCO1 ZINC000430904687 295153106 /nfs/dbraw/zinc/15/31/06/295153106.db2.gz UXAMRMHGVURGTK-MNOVXSKESA-N 0 3 284.360 -1.569 20 0 CAADHN NC(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CNCCO1 ZINC000430904686 295153549 /nfs/dbraw/zinc/15/35/49/295153549.db2.gz UXAMRMHGVURGTK-GHMZBOCLSA-N 0 3 284.360 -1.569 20 0 CAADHN NCCNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000158643789 295233422 /nfs/dbraw/zinc/23/34/22/295233422.db2.gz BAZSOBYXZPRWGP-UHFFFAOYSA-N 0 3 270.314 -1.441 20 0 CAADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCNC(=O)C1 ZINC000423617593 295264789 /nfs/dbraw/zinc/26/47/89/295264789.db2.gz GPRVEHGRMHCCEE-SECBINFHSA-N 0 3 268.317 -1.715 20 0 CAADHN NS(=O)(=O)C[C@@H]1CCCN1C(=O)CCOC1CNC1 ZINC000515645089 295282575 /nfs/dbraw/zinc/28/25/75/295282575.db2.gz QLUNPVUTOJZKRE-VIFPVBQESA-N 0 3 291.373 -1.356 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000424144878 295325125 /nfs/dbraw/zinc/32/51/25/295325125.db2.gz MJTYWOFVEGPHER-SDDRHHMPSA-N 0 3 296.371 -1.617 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)CCOC2CNC2)CC1 ZINC000349006167 295521827 /nfs/dbraw/zinc/52/18/27/295521827.db2.gz TWIDGCFHXNYEFK-UHFFFAOYSA-N 0 3 291.373 -1.531 20 0 CAADHN CS(=O)(=O)NCCN[C@H](CO)[C@@H]1CCCO1 ZINC000336718671 295529603 /nfs/dbraw/zinc/52/96/03/295529603.db2.gz XXDCAFBFRJPHEX-BDAKNGLRSA-N 0 3 252.336 -1.335 20 0 CAADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC000429723675 295537801 /nfs/dbraw/zinc/53/78/01/295537801.db2.gz VJWSBLOLYICXQL-SFYZADRCSA-N 0 3 292.361 -1.369 20 0 CAADHN CS[C@@H]1CN(C(=O)[C@H](CO)NC(N)=O)C[C@H]1N(C)C ZINC000330648042 295647856 /nfs/dbraw/zinc/64/78/56/295647856.db2.gz HSZBQGKNIYSLHA-DJLDLDEBSA-N 0 3 290.389 -1.066 20 0 CAADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)[C@H](C)N)CC1 ZINC000167570515 298057054 /nfs/dbraw/zinc/05/70/54/298057054.db2.gz VOYCBJDTBIYHKK-NWDGAFQWSA-N 0 3 298.387 -1.275 20 0 CAADHN CCN(CCO)CCNC(=O)C1(C(=O)NC)CC1 ZINC000347792064 528532406 /nfs/dbraw/zinc/53/24/06/528532406.db2.gz KPZGFCHLRBHCCD-UHFFFAOYSA-N 0 3 257.334 -1.057 20 0 CAADHN CCN(CCO)CCNC(=O)CS(=O)(=O)NC ZINC000347810291 528532667 /nfs/dbraw/zinc/53/26/67/528532667.db2.gz RZPYPVBXYVOSNX-UHFFFAOYSA-N 0 3 267.351 -2.034 20 0 CAADHN NS(=O)(=O)C[C@@H]1CCN(CCc2cn[nH]n2)C1 ZINC001198328309 782064973 /nfs/dbraw/zinc/06/49/73/782064973.db2.gz SSTJUHCFWPFGOA-MRVPVSSYSA-N 0 3 259.335 -1.042 20 0 CAADHN NS(=O)(=O)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000091309780 303440719 /nfs/dbraw/zinc/44/07/19/303440719.db2.gz QCCOXKGUSHWAPK-SECBINFHSA-N 0 3 292.361 -2.287 20 0 CAADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001198430607 782065623 /nfs/dbraw/zinc/06/56/23/782065623.db2.gz LLRLGMBAJGLZLN-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198490037 782067927 /nfs/dbraw/zinc/06/79/27/782067927.db2.gz QLGKGGNXOOHSER-OPRDCNLKSA-N 0 3 290.339 -1.046 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198473638 782068078 /nfs/dbraw/zinc/06/80/78/782068078.db2.gz GXAPDZWALLVYAD-RKDXNWHRSA-N 0 3 258.322 -1.384 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198506512 782068541 /nfs/dbraw/zinc/06/85/41/782068541.db2.gz CARFVXDRSQBLLP-OPRDCNLKSA-N 0 3 298.343 -1.456 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001198473949 782068665 /nfs/dbraw/zinc/06/86/65/782068665.db2.gz LZCJEIVXIOBCIH-NXEZZACHSA-N 0 3 270.333 -1.384 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCC(=O)N(C)C2)C1=O ZINC001152510802 782072143 /nfs/dbraw/zinc/07/21/43/782072143.db2.gz XDYJRXORPKEPRK-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)CCC1=O ZINC001152523073 782073543 /nfs/dbraw/zinc/07/35/43/782073543.db2.gz SHWLIUFGUABVKA-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](C(=O)NCCNS(=O)(=O)N(C)C)N(C)C ZINC000570733155 327615081 /nfs/dbraw/zinc/61/50/81/327615081.db2.gz DTCQVEUCTNANKF-SECBINFHSA-N 0 3 280.394 -1.161 20 0 CAADHN CC[C@@H](C(=O)NCCNS(=O)(=O)N(C)C)N(C)C ZINC000570733156 327615119 /nfs/dbraw/zinc/61/51/19/327615119.db2.gz DTCQVEUCTNANKF-VIFPVBQESA-N 0 3 280.394 -1.161 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H]1CNC(=O)COC1CNC1 ZINC000570925511 327635893 /nfs/dbraw/zinc/63/58/93/327635893.db2.gz CZAJTQAZYBAJKN-SECBINFHSA-N 0 3 291.373 -1.485 20 0 CAADHN CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001199111586 782075408 /nfs/dbraw/zinc/07/54/08/782075408.db2.gz BYRKGVRHNLYIGM-GHMZBOCLSA-N 0 3 286.376 -1.766 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001199103998 782074360 /nfs/dbraw/zinc/07/43/60/782074360.db2.gz HWANIJFEHSNSFV-VXGBXAGGSA-N 0 3 273.377 -1.130 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001199104961 782074501 /nfs/dbraw/zinc/07/45/01/782074501.db2.gz XYAMISRYNTYAGG-GRYCIOLGSA-N 0 3 298.387 -1.624 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)COC)CCCO1 ZINC001199589568 782084073 /nfs/dbraw/zinc/08/40/73/782084073.db2.gz BOUWLIPAVZTIOY-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN CC(=O)N1CCCO[C@@H](CN[C@H](C)C(=O)NC(N)=O)C1 ZINC001199622261 782084103 /nfs/dbraw/zinc/08/41/03/782084103.db2.gz GBSBSICNBASNFK-SCZZXKLOSA-N 0 3 286.332 -1.203 20 0 CAADHN CC(=O)N1CCCO[C@H](CNCCNS(C)(=O)=O)C1 ZINC001199621732 782083987 /nfs/dbraw/zinc/08/39/87/782083987.db2.gz ALSXFNZKVQJUQU-LLVKDONJSA-N 0 3 293.389 -1.237 20 0 CAADHN CN(C)[C@H](C(=O)NCCNCC(N)=O)c1cccnc1 ZINC001152618001 782083206 /nfs/dbraw/zinc/08/32/06/782083206.db2.gz HSGSIGLLIHEKJY-LBPRGKRZSA-N 0 3 279.344 -1.125 20 0 CAADHN COCC(=O)N1CCCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001199592075 782084527 /nfs/dbraw/zinc/08/45/27/782084527.db2.gz UQIXOUNTRCVJHO-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)COC)CCCO1 ZINC001199589610 782084623 /nfs/dbraw/zinc/08/46/23/782084623.db2.gz CGRTWMXSLDXVCW-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN NC(=O)[C@@H](O)CNC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000574916895 327640576 /nfs/dbraw/zinc/64/05/76/327640576.db2.gz KGGUNWGYHQPBRO-SCZZXKLOSA-N 0 3 298.295 -1.409 20 0 CAADHN COC(=O)[C@@]1(C)CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000580054735 327684769 /nfs/dbraw/zinc/68/47/69/327684769.db2.gz JAAHRHACCKGJTH-LBPRGKRZSA-N 0 3 269.301 -1.514 20 0 CAADHN CCS(=O)(=O)NCCN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000580095893 327698676 /nfs/dbraw/zinc/69/86/76/327698676.db2.gz KPZSRNVKSBHYGL-VHSXEESVSA-N 0 3 290.389 -1.831 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C(F)F)CCCO1 ZINC001199624890 782084937 /nfs/dbraw/zinc/08/49/37/782084937.db2.gz UAKNELLMNLOKNX-SSDOTTSWSA-N 0 3 265.260 -1.056 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H]1CN(C(C)=O)CCCO1 ZINC001199601771 782085115 /nfs/dbraw/zinc/08/51/15/782085115.db2.gz WGHLWQLACYXLDW-JTQLQIEISA-N 0 3 286.332 -1.331 20 0 CAADHN COCCO[C@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000582112367 327871119 /nfs/dbraw/zinc/87/11/19/327871119.db2.gz GAAVPTBXNBXUPA-NSHDSACASA-N 0 3 285.344 -1.272 20 0 CAADHN CCS(=O)(=O)NCCNC[C@H](O)Cn1cccn1 ZINC000390264822 328967001 /nfs/dbraw/zinc/96/70/01/328967001.db2.gz PJOCHZSQGVKICO-JTQLQIEISA-N 0 3 276.362 -1.227 20 0 CAADHN Cc1c(C(=O)N2CCN(C)C[C@H]2CN)nnn1C ZINC000563101923 327924260 /nfs/dbraw/zinc/92/42/60/327924260.db2.gz VSCFJQPJRLBHOS-SECBINFHSA-N 0 3 252.322 -1.162 20 0 CAADHN CC1(C)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000570986176 327969742 /nfs/dbraw/zinc/96/97/42/327969742.db2.gz NJBDEAMHWSGUPW-BBBLOLIVSA-N 0 3 294.355 -1.329 20 0 CAADHN NCC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000583694364 329004386 /nfs/dbraw/zinc/00/43/86/329004386.db2.gz XZNMDYFYIYWCPX-SNVBAGLBSA-N 0 3 291.373 -1.402 20 0 CAADHN NC1(C(=O)N2CCC[C@H](N3CCNCC3=O)C2)CC1 ZINC000583694252 329004620 /nfs/dbraw/zinc/00/46/20/329004620.db2.gz KPJYNXWQRHLESX-JTQLQIEISA-N 0 3 266.345 -1.100 20 0 CAADHN O=C(NC1=NCC(=O)N1)[C@H]1CN2CCN1CCC2 ZINC000534266683 328042299 /nfs/dbraw/zinc/04/22/99/328042299.db2.gz GWXPHNAKNYXLIU-MRVPVSSYSA-N 0 3 251.290 -2.022 20 0 CAADHN COC[C@](C)(O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000534270544 328042713 /nfs/dbraw/zinc/04/27/13/328042713.db2.gz VULAEQNVGXIOSQ-DGCLKSJQSA-N 0 3 271.361 -1.110 20 0 CAADHN COC[C@H](CCO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000534276158 328043252 /nfs/dbraw/zinc/04/32/52/328043252.db2.gz CLHVZBFADXJERD-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000563392960 328061436 /nfs/dbraw/zinc/06/14/36/328061436.db2.gz RBXUQDXOUJTJGY-LLVKDONJSA-N 0 3 273.333 -1.022 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)[C@H](C(C)C)N(C)C ZINC000563392963 328061565 /nfs/dbraw/zinc/06/15/65/328061565.db2.gz RBXUQDXOUJTJGY-NSHDSACASA-N 0 3 273.333 -1.022 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@@H]1O ZINC000563395772 328061761 /nfs/dbraw/zinc/06/17/61/328061761.db2.gz SQUXVABVUABYQM-DCAQKATOSA-N 0 3 257.334 -1.550 20 0 CAADHN COCCCNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563439553 328065483 /nfs/dbraw/zinc/06/54/83/328065483.db2.gz GRNVJKIHNQGZQA-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN COCCCNC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563439551 328065520 /nfs/dbraw/zinc/06/55/20/328065520.db2.gz GRNVJKIHNQGZQA-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN COCCCNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563439552 328065571 /nfs/dbraw/zinc/06/55/71/328065571.db2.gz GRNVJKIHNQGZQA-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563455228 328067621 /nfs/dbraw/zinc/06/76/21/328067621.db2.gz KYASDIDPKOKEDM-GWOFURMSSA-N 0 3 298.343 -1.646 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563455237 328067869 /nfs/dbraw/zinc/06/78/69/328067869.db2.gz KYASDIDPKOKEDM-UKKRHICBSA-N 0 3 298.343 -1.646 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)NCCn3cccn3)CCN2C1=O ZINC000563458698 328067962 /nfs/dbraw/zinc/06/79/62/328067962.db2.gz UYAVHDZPUWWFIR-WDEREUQCSA-N 0 3 292.343 -1.164 20 0 CAADHN CN1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1=O ZINC000563459308 328067978 /nfs/dbraw/zinc/06/79/78/328067978.db2.gz YIYSRIYSKDKAIG-OPRDCNLKSA-N 0 3 295.343 -1.830 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)NCCn3cccn3)CCN2C1=O ZINC000563458697 328068050 /nfs/dbraw/zinc/06/80/50/328068050.db2.gz UYAVHDZPUWWFIR-QWRGUYRKSA-N 0 3 292.343 -1.164 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCn3cccn3)CCN2C1=O ZINC000563458688 328068086 /nfs/dbraw/zinc/06/80/86/328068086.db2.gz UYAVHDZPUWWFIR-GHMZBOCLSA-N 0 3 292.343 -1.164 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCCC[C@H]2CN)CC1=O ZINC000563616095 328077106 /nfs/dbraw/zinc/07/71/06/328077106.db2.gz WQXMXWQCZNQHJY-JTQLQIEISA-N 0 3 282.344 -1.373 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC1=O ZINC000563616096 328077227 /nfs/dbraw/zinc/07/72/27/328077227.db2.gz WQXMXWQCZNQHJY-SNVBAGLBSA-N 0 3 282.344 -1.373 20 0 CAADHN O=C1NC2(CCCC2)C(=O)N1CCNC(CO)CO ZINC000563630966 328078743 /nfs/dbraw/zinc/07/87/43/328078743.db2.gz KKILHLMQPAKBRQ-UHFFFAOYSA-N 0 3 271.317 -1.206 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC(=O)N1 ZINC000571073550 328084046 /nfs/dbraw/zinc/08/40/46/328084046.db2.gz KUUPTEVOZCXQLQ-ZJUUUORDSA-N 0 3 297.359 -2.565 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC(=O)N1 ZINC000571073548 328084155 /nfs/dbraw/zinc/08/41/55/328084155.db2.gz KUUPTEVOZCXQLQ-UWVGGRQHSA-N 0 3 297.359 -2.565 20 0 CAADHN O=C(CCN1CC[C@@H]2OCCN[C@H]2C1)N1CCNCC1 ZINC000571095197 328085232 /nfs/dbraw/zinc/08/52/32/328085232.db2.gz FYADONMOAWJGQJ-STQMWFEESA-N 0 3 282.388 -1.129 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCn2c(n[nH]c2=O)C1 ZINC000571104816 328085782 /nfs/dbraw/zinc/08/57/82/328085782.db2.gz UEJNBQVWQBCSOJ-JTQLQIEISA-N 0 3 285.348 -1.262 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000571177589 328089835 /nfs/dbraw/zinc/08/98/35/328089835.db2.gz OFALPYOIMFGANO-OCCSQVGLSA-N 0 3 283.372 -1.110 20 0 CAADHN COC[C@@H](O)CNCCNS(=O)(=O)c1cccnc1 ZINC000571198749 328091752 /nfs/dbraw/zinc/09/17/52/328091752.db2.gz XMGWPGOXWXISRQ-JTQLQIEISA-N 0 3 289.357 -1.043 20 0 CAADHN CN1CCN(S(=O)(=O)C[C@H]2CCOC2)[C@@H](CN)C1 ZINC000571215214 328092417 /nfs/dbraw/zinc/09/24/17/328092417.db2.gz ZERZIMAFZVOVPV-QWRGUYRKSA-N 0 3 277.390 -1.073 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CC[C@H]1C(N)=O)C(=O)NCCN(C)C ZINC000571224935 328093494 /nfs/dbraw/zinc/09/34/94/328093494.db2.gz ONVFCCPCGUCDLS-IVZWLZJFSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(N)=O)C(=O)NCCN(C)C ZINC000571224936 328093704 /nfs/dbraw/zinc/09/37/04/328093704.db2.gz ONVFCCPCGUCDLS-LPEHRKFASA-N 0 3 284.360 -1.320 20 0 CAADHN COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C)C2)O1 ZINC000571252069 328094548 /nfs/dbraw/zinc/09/45/48/328094548.db2.gz YQVWGTFZVPQNAS-CWSCBRNRSA-N 0 3 286.328 -1.110 20 0 CAADHN CN(C)[C@H]1CN(CC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC000571413859 328119830 /nfs/dbraw/zinc/11/98/30/328119830.db2.gz AXLFKDJIQFCXSK-UWVGGRQHSA-N 0 3 270.333 -2.449 20 0 CAADHN C[C@H]1NCCN(C(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC000571443483 328122434 /nfs/dbraw/zinc/12/24/34/328122434.db2.gz FKCNEHNNIWYMEC-BDAKNGLRSA-N 0 3 253.306 -1.209 20 0 CAADHN CN(C(=O)C(=O)NC1CNC1)[C@H]1CCN(C2CC2)C1 ZINC000571540789 328133355 /nfs/dbraw/zinc/13/33/55/328133355.db2.gz JXSOENQRGHELDL-NSHDSACASA-N 0 3 266.345 -1.231 20 0 CAADHN CN(C(=O)C(=O)NC1CNC1)[C@@H]1CCN(C2CC2)C1 ZINC000571540786 328133384 /nfs/dbraw/zinc/13/33/84/328133384.db2.gz JXSOENQRGHELDL-LLVKDONJSA-N 0 3 266.345 -1.231 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CC[C@H](CO)[C@@H](O)C1 ZINC000571559745 328133771 /nfs/dbraw/zinc/13/37/71/328133771.db2.gz VYHBJYGSCBEAOZ-JFGNBEQYSA-N 0 3 261.318 -1.024 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H](CO)[C@@H](O)C1 ZINC000571559744 328133870 /nfs/dbraw/zinc/13/38/70/328133870.db2.gz VYHBJYGSCBEAOZ-JBLDHEPKSA-N 0 3 261.318 -1.024 20 0 CAADHN COCC(=O)N[C@H](C(=O)NC[C@H]1CNCCO1)C(C)C ZINC000571561436 328133961 /nfs/dbraw/zinc/13/39/61/328133961.db2.gz YATZPIAUAHFODR-PWSUYJOCSA-N 0 3 287.360 -1.122 20 0 CAADHN COCC(=O)N[C@H](C(=O)NC[C@@H]1CNCCO1)C(C)C ZINC000571561433 328133996 /nfs/dbraw/zinc/13/39/96/328133996.db2.gz YATZPIAUAHFODR-JQWIXIFHSA-N 0 3 287.360 -1.122 20 0 CAADHN CNCC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000582485424 329096556 /nfs/dbraw/zinc/09/65/56/329096556.db2.gz KSBIDXSVTSNNOF-UHFFFAOYSA-N 0 3 287.345 -1.538 20 0 CAADHN CN(C)S(=O)(=O)N(C)CC(=O)NCCN(C)C1CC1 ZINC000582550034 329106032 /nfs/dbraw/zinc/10/60/32/329106032.db2.gz IZPSMRZWFCHLRF-UHFFFAOYSA-N 0 3 292.405 -1.065 20 0 CAADHN CCOC(=O)CC[C@@H](C)NC(=O)C(=O)NC1CNC1 ZINC000572858404 328151302 /nfs/dbraw/zinc/15/13/02/328151302.db2.gz XQLDKIQWDKHDLN-MRVPVSSYSA-N 0 3 271.317 -1.078 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CNCC(=O)NCCO)C[C@H](C)O1 ZINC000571642966 328181690 /nfs/dbraw/zinc/18/16/90/328181690.db2.gz WVAOKTVYVOOJEN-GRYCIOLGSA-N 0 3 289.376 -1.845 20 0 CAADHN CCOCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001199761197 782086338 /nfs/dbraw/zinc/08/63/38/782086338.db2.gz HBWLQEWBDKMNCL-SNVBAGLBSA-N 0 3 273.333 -1.285 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCCO2)CCCO1 ZINC001199763599 782086807 /nfs/dbraw/zinc/08/68/07/782086807.db2.gz SPSAFPRQTTWTII-QWRGUYRKSA-N 0 3 285.344 -1.142 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cn2cccn2)CCCO1 ZINC001199846264 782087557 /nfs/dbraw/zinc/08/75/57/782087557.db2.gz INOJVSBZBRJIJB-LLVKDONJSA-N 0 3 295.343 -1.425 20 0 CAADHN Cn1cc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)cn1 ZINC001199797795 782087602 /nfs/dbraw/zinc/08/76/02/782087602.db2.gz SATRWYBMMCAECF-LLVKDONJSA-N 0 3 295.343 -1.274 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199788524 782087629 /nfs/dbraw/zinc/08/76/29/782087629.db2.gz YSRLYQPQLRQVHE-SECBINFHSA-N 0 3 297.319 -2.635 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cnsn2)CCCO1 ZINC001199950092 782088784 /nfs/dbraw/zinc/08/87/84/782088784.db2.gz YTFMDIDQBUPZFR-MRVPVSSYSA-N 0 3 299.356 -1.156 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC/C=C\CNC(=O)COC ZINC001273791591 782088896 /nfs/dbraw/zinc/08/88/96/782088896.db2.gz VDHMWDABDMWYFU-XRVBUDJMSA-N 0 3 286.332 -1.261 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]c2)CCCO1 ZINC001199922848 782089239 /nfs/dbraw/zinc/08/92/39/782089239.db2.gz KNZHJMXWCQYDSL-NSHDSACASA-N 0 3 295.343 -1.024 20 0 CAADHN COC[C@H](C)C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200093037 782091966 /nfs/dbraw/zinc/09/19/66/782091966.db2.gz PKLWVFUFXWZJEW-QWRGUYRKSA-N 0 3 287.360 -1.039 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]c2)CCCO1 ZINC001199938923 782089590 /nfs/dbraw/zinc/08/95/90/782089590.db2.gz DQAGTLAIUZHPJF-JTQLQIEISA-N 0 3 281.316 -1.284 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cnsn2)CCCO1 ZINC001199950093 782089663 /nfs/dbraw/zinc/08/96/63/782089663.db2.gz YTFMDIDQBUPZFR-QMMMGPOBSA-N 0 3 299.356 -1.156 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCCO1 ZINC001200092302 782091879 /nfs/dbraw/zinc/09/18/79/782091879.db2.gz HMQNJPXCGUIMDO-NXEZZACHSA-N 0 3 298.343 -2.043 20 0 CAADHN Cn1cc(CNCCNC(=O)c2cn(C)c(=O)n2C)cn1 ZINC001152691197 782090986 /nfs/dbraw/zinc/09/09/86/782090986.db2.gz HLZNUCZCCUISIN-UHFFFAOYSA-N 0 3 292.343 -1.023 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cn(C)c(=O)n1C ZINC001152698948 782091145 /nfs/dbraw/zinc/09/11/45/782091145.db2.gz FOGOHERVADTBRU-UHFFFAOYSA-N 0 3 283.332 -1.869 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cn(C)c(=O)n1C ZINC001152699097 782091168 /nfs/dbraw/zinc/09/11/68/782091168.db2.gz LWYKPKAGEKAWOM-UHFFFAOYSA-N 0 3 283.332 -1.821 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)NC(N)=O)n(C)c1=O ZINC001152699095 782091190 /nfs/dbraw/zinc/09/11/90/782091190.db2.gz LULTWXLUOLCHPB-UHFFFAOYSA-N 0 3 298.303 -2.762 20 0 CAADHN COC[C@H](C)C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200093038 782092090 /nfs/dbraw/zinc/09/20/90/782092090.db2.gz PKLWVFUFXWZJEW-WDEREUQCSA-N 0 3 287.360 -1.039 20 0 CAADHN CO[C@H](C)C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001199978844 782091558 /nfs/dbraw/zinc/09/15/58/782091558.db2.gz XKYKWQNCNAAUNK-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)CC(N)=O)CCCO1)C(N)=O ZINC001200145147 782093445 /nfs/dbraw/zinc/09/34/45/782093445.db2.gz RFCGXTPBXQSBHO-DTWKUNHWSA-N 0 3 286.332 -2.057 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001200143782 782093860 /nfs/dbraw/zinc/09/38/60/782093860.db2.gz HCVSHNWXNZGRGP-VIFPVBQESA-N 0 3 286.332 -2.185 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cocn2)CCCO1 ZINC001200092211 782092151 /nfs/dbraw/zinc/09/21/51/782092151.db2.gz FSPXCRQHVPROGK-SECBINFHSA-N 0 3 282.300 -1.019 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2cc[nH]n2)CCCO1 ZINC001200164332 782092191 /nfs/dbraw/zinc/09/21/91/782092191.db2.gz HGZVPSOFFSLXIO-NSHDSACASA-N 0 3 295.343 -1.355 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2ccon2)CCCO1 ZINC001200154491 782092266 /nfs/dbraw/zinc/09/22/66/782092266.db2.gz MJDMIANYPCSBNN-NSHDSACASA-N 0 3 296.327 -1.091 20 0 CAADHN COC[C@@H](C)C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200093036 782092829 /nfs/dbraw/zinc/09/28/29/782092829.db2.gz PKLWVFUFXWZJEW-MNOVXSKESA-N 0 3 287.360 -1.039 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCN(C)C2=O)n(C)c1=O ZINC001152712249 782094518 /nfs/dbraw/zinc/09/45/18/782094518.db2.gz LQNWWBYPTNWZBX-SECBINFHSA-N 0 3 295.343 -1.726 20 0 CAADHN CS(=O)(=O)NCCC(=O)NCCNc1ccncc1 ZINC000534522862 328305238 /nfs/dbraw/zinc/30/52/38/328305238.db2.gz WXNMGOWVJMWTHI-UHFFFAOYSA-N 0 3 286.357 -1.029 20 0 CAADHN O=C(CO)N1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000535021101 328378288 /nfs/dbraw/zinc/37/82/88/328378288.db2.gz DQNARVZCMRGOOS-LBPRGKRZSA-N 0 3 296.371 -1.961 20 0 CAADHN Cn1cnc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)c1 ZINC001200249006 782094769 /nfs/dbraw/zinc/09/47/69/782094769.db2.gz HGWLNLJMDUJYTF-SNVBAGLBSA-N 0 3 295.343 -1.274 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CCCCC(=O)N3)CCN2C1=O ZINC000567063344 328496078 /nfs/dbraw/zinc/49/60/78/328496078.db2.gz VUDLZERXOCZCLL-AXFHLTTASA-N 0 3 294.355 -1.184 20 0 CAADHN COC[C@@H](C)OC[C@@H](O)CNCCS(=O)(=O)N(C)C ZINC000405407203 328581879 /nfs/dbraw/zinc/58/18/79/328581879.db2.gz UUHLEOGGPURWAP-MNOVXSKESA-N 0 3 298.405 -1.120 20 0 CAADHN N[C@H]1C[C@H]2CN(CC(=O)N3CCNC(=O)C3)CCN2C1=O ZINC000583946289 326805518 /nfs/dbraw/zinc/80/55/18/326805518.db2.gz WFDWPIVEYRKDMW-UWVGGRQHSA-N 0 3 295.343 -2.811 20 0 CAADHN C[C@H]1OCCN[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565550595 326956123 /nfs/dbraw/zinc/95/61/23/326956123.db2.gz SJZPWKCFJAWDIP-ZNSHCXBVSA-N 0 3 282.344 -1.866 20 0 CAADHN CO[C@]1(C(=O)N[C@H](C)C(=O)NCCN(C)C)CCOC1 ZINC000556904868 326981301 /nfs/dbraw/zinc/98/13/01/326981301.db2.gz MYQSNISKURDRNX-ZWNOBZJWSA-N 0 3 287.360 -1.026 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)[C@H]3CCCO3)CCN2C1=O ZINC000568268041 326987393 /nfs/dbraw/zinc/98/73/93/326987393.db2.gz QKEFHBCZZLGYRC-LPEHRKFASA-N 0 3 253.302 -1.064 20 0 CAADHN CSC[C@H](C)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000557295472 327000601 /nfs/dbraw/zinc/00/06/01/327000601.db2.gz KVEHKXRHTMIKEH-UWVGGRQHSA-N 0 3 288.417 -1.045 20 0 CAADHN CC[C@@H](O)CN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000557297286 327000635 /nfs/dbraw/zinc/00/06/35/327000635.db2.gz GXJPYNNPQHTZGI-LLVKDONJSA-N 0 3 284.360 -2.011 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@H](OC(F)F)C1 ZINC000557297796 327000834 /nfs/dbraw/zinc/00/08/34/327000834.db2.gz NBBKQZDLJPQLLN-ZETCQYMHSA-N 0 3 263.244 -1.086 20 0 CAADHN C[C@H](CN1CCOCC1)N(C)C(=O)C(=O)NC1CNC1 ZINC000557297493 327000837 /nfs/dbraw/zinc/00/08/37/327000837.db2.gz UEUXBLPLZIEGRG-SNVBAGLBSA-N 0 3 284.360 -1.747 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@@H]2CNCCO2)nc1 ZINC000564841276 327002617 /nfs/dbraw/zinc/00/26/17/327002617.db2.gz AKCRRBXYLCLCRY-VIFPVBQESA-N 0 3 264.285 -1.101 20 0 CAADHN C[C@H]1COCCN1CCNC[C@H](O)CN1CCOCC1 ZINC000564843525 327006501 /nfs/dbraw/zinc/00/65/01/327006501.db2.gz ADMGKLUUDRBMLD-KBPBESRZSA-N 0 3 287.404 -1.010 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNS(C)(=O)=O)C1 ZINC000557595007 327015076 /nfs/dbraw/zinc/01/50/76/327015076.db2.gz FJRAUQFACITDFM-SECBINFHSA-N 0 3 263.363 -1.006 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNS(C)(=O)=O)C1 ZINC000557595008 327015143 /nfs/dbraw/zinc/01/51/43/327015143.db2.gz FJRAUQFACITDFM-VIFPVBQESA-N 0 3 263.363 -1.006 20 0 CAADHN C[C@H](NC(=O)C(=O)NC1CC1)C(=O)NCCN(C)C ZINC000568881248 327021986 /nfs/dbraw/zinc/02/19/86/327021986.db2.gz MNYHAHWCSJCJDU-QMMMGPOBSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](NC(=O)C(=O)NC1CC1)C(=O)NCCN(C)C ZINC000568881246 327022110 /nfs/dbraw/zinc/02/21/10/327022110.db2.gz MNYHAHWCSJCJDU-MRVPVSSYSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H]1NC(=O)N(CCN2C[C@H](O)[C@@H](N(C)C)C2)C1=O ZINC000576238062 327025516 /nfs/dbraw/zinc/02/55/16/327025516.db2.gz SAUWWWCDGXIEKO-UTLUCORTSA-N 0 3 270.333 -1.467 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)Cn3cccn3)CCN2C1=O ZINC000584124886 327043737 /nfs/dbraw/zinc/04/37/37/327043737.db2.gz TZPYDFFMJRWBJG-VHSXEESVSA-N 0 3 263.301 -1.347 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)Cn3cccn3)CCN2C1=O ZINC000584124887 327043748 /nfs/dbraw/zinc/04/37/48/327043748.db2.gz TZPYDFFMJRWBJG-ZJUUUORDSA-N 0 3 263.301 -1.347 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)CCNS(C)(=O)=O ZINC000558025160 327045227 /nfs/dbraw/zinc/04/52/27/327045227.db2.gz IAKVMZKXXUBGLK-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN C[C@@H](CN1CCOCC1)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000569202525 327044236 /nfs/dbraw/zinc/04/42/36/327044236.db2.gz HMVHNNQVFDNOHZ-STQMWFEESA-N 0 3 299.419 -1.009 20 0 CAADHN CCOCC[C@@H](O)CNCCNS(C)(=O)=O ZINC000584167765 327055084 /nfs/dbraw/zinc/05/50/84/327055084.db2.gz GLOCRNSLDLBRIQ-SECBINFHSA-N 0 3 254.352 -1.087 20 0 CAADHN CO[C@H](CN)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000584171875 327056806 /nfs/dbraw/zinc/05/68/06/327056806.db2.gz KFIHGVPDFNJNKK-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN Cn1ccnc1[C@@H]1CNCCN1C(=O)COC1CNC1 ZINC000584174001 327057884 /nfs/dbraw/zinc/05/78/84/327057884.db2.gz ZRIOHUQCAOZGJM-NSHDSACASA-N 0 3 279.344 -1.119 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000558434147 327094845 /nfs/dbraw/zinc/09/48/45/327094845.db2.gz GGDOUYOEAAVTBX-VGMNWLOBSA-N 0 3 279.362 -1.943 20 0 CAADHN CN(C)CCN1C(=O)C[C@@H](NCc2nncn2C)C1=O ZINC000584239687 327109850 /nfs/dbraw/zinc/10/98/50/327109850.db2.gz JBYRJODIJDIKMM-SECBINFHSA-N 0 3 280.332 -1.406 20 0 CAADHN CN(C)CCN1C(=O)C[C@H](NCc2nncn2C)C1=O ZINC000584239688 327109884 /nfs/dbraw/zinc/10/98/84/327109884.db2.gz JBYRJODIJDIKMM-VIFPVBQESA-N 0 3 280.332 -1.406 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)CNC[C@H]1CCCO1 ZINC000564893272 327111926 /nfs/dbraw/zinc/11/19/26/327111926.db2.gz AEDAKFSZSMMPCW-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CNC(=O)NC(=O)CN1CCNC[C@@H]1C(F)F ZINC000564452548 327117754 /nfs/dbraw/zinc/11/77/54/327117754.db2.gz FBTZXEBUKWRYHD-ZCFIWIBFSA-N 0 3 250.249 -1.019 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](N)C1CCC1 ZINC000564905782 327129994 /nfs/dbraw/zinc/12/99/94/327129994.db2.gz RRBLJBPATPLNRJ-ZYHUDNBSSA-N 0 3 296.371 -1.033 20 0 CAADHN Cn1nnc(CNC(=O)NCCNc2ccncc2)n1 ZINC000559167765 327144692 /nfs/dbraw/zinc/14/46/92/327144692.db2.gz YVPCJKFCSDEMKU-UHFFFAOYSA-N 0 3 276.304 -1.062 20 0 CAADHN CN(C)S(=O)(=O)N1CCC[C@@H](NCCC(N)=O)C1 ZINC000569353461 327158265 /nfs/dbraw/zinc/15/82/65/327158265.db2.gz RFZIJQCMZWNHLL-SECBINFHSA-N 0 3 278.378 -1.278 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CO[C@@H](C)C2)n1 ZINC000566161868 327152005 /nfs/dbraw/zinc/15/20/05/327152005.db2.gz IUHIWYLQPHCJSR-UWVGGRQHSA-N 0 3 296.375 -1.049 20 0 CAADHN CC(C(=O)N[C@@H]1CC(=O)N(C)C1=O)S(C)(=O)=O ZINC000559276420 327153128 /nfs/dbraw/zinc/15/31/28/327153128.db2.gz GTYYLIKEXKIIDB-NTSWFWBYSA-N 0 3 262.287 -1.707 20 0 CAADHN CC(C(=O)N[C@H]1CC(=O)N(C)C1=O)S(C)(=O)=O ZINC000559276422 327153169 /nfs/dbraw/zinc/15/31/69/327153169.db2.gz GTYYLIKEXKIIDB-RITPCOANSA-N 0 3 262.287 -1.707 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)C1(N)CCC1 ZINC000569357234 327162294 /nfs/dbraw/zinc/16/22/94/327162294.db2.gz AVNRFHCTHBUZKC-SECBINFHSA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000566196644 327163047 /nfs/dbraw/zinc/16/30/47/327163047.db2.gz SUYPKZNBNYQOBK-JTQLQIEISA-N 0 3 271.317 -1.662 20 0 CAADHN O=C(NCCN1C(=O)CCC1=O)[C@@H]1CN2CCN1CCC2 ZINC000569512868 327187995 /nfs/dbraw/zinc/18/79/95/327187995.db2.gz AIWMWDCTJNVRSL-NSHDSACASA-N 0 3 294.355 -1.359 20 0 CAADHN O=C(NCCN1C(=O)CCC1=O)[C@H]1CN2CCN1CCC2 ZINC000569512863 327188087 /nfs/dbraw/zinc/18/80/87/327188087.db2.gz AIWMWDCTJNVRSL-LLVKDONJSA-N 0 3 294.355 -1.359 20 0 CAADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cn1ncn(C)c1=O ZINC000572599883 327197089 /nfs/dbraw/zinc/19/70/89/327197089.db2.gz SWOQWXQVPHJQDP-DTWKUNHWSA-N 0 3 253.306 -1.209 20 0 CAADHN COCC(C)(C)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000569595357 327207669 /nfs/dbraw/zinc/20/76/69/327207669.db2.gz NPFMRHQEUCAAOT-UHFFFAOYSA-N 0 3 298.387 -1.356 20 0 CAADHN Cc1noc(COCC(=O)N2CCN(C)C[C@H]2CN)n1 ZINC000577278567 327248684 /nfs/dbraw/zinc/24/86/84/327248684.db2.gz FJHYVWSFKOTIMF-SNVBAGLBSA-N 0 3 283.332 -1.004 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCO[C@@H](C(N)=O)C1 ZINC000559637497 327255924 /nfs/dbraw/zinc/25/59/24/327255924.db2.gz KVRHUWCCZRFXGS-WDEREUQCSA-N 0 3 275.349 -1.888 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN[C@H](C)C1 ZINC000566252531 327262520 /nfs/dbraw/zinc/26/25/20/327262520.db2.gz AGGMUNDZJQQHIP-KOLCDFICSA-N 0 3 256.350 -1.094 20 0 CAADHN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000566300430 327293832 /nfs/dbraw/zinc/29/38/32/327293832.db2.gz KWBBFSQVHWCVAX-UWVGGRQHSA-N 0 3 292.405 -1.632 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)CO1 ZINC000564981104 327320452 /nfs/dbraw/zinc/32/04/52/327320452.db2.gz XFDWTJILHLCIER-OPRDCNLKSA-N 0 3 271.317 -1.615 20 0 CAADHN C[C@@H](NC(=O)c1nccnc1N)C(=O)NCCN(C)C ZINC000560565793 327325014 /nfs/dbraw/zinc/32/50/14/327325014.db2.gz JWBQWJKXGOYTRL-MRVPVSSYSA-N 0 3 280.332 -1.145 20 0 CAADHN CC(C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)S(C)(=O)=O ZINC000560637121 327332589 /nfs/dbraw/zinc/33/25/89/327332589.db2.gz VBVHIGQELUZGGG-VGMNWLOBSA-N 0 3 264.347 -1.447 20 0 CAADHN COC(=O)[C@H]1C[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000560633263 327332727 /nfs/dbraw/zinc/33/27/27/327332727.db2.gz BNFZHMUYKHCXRD-KATARQTJSA-N 0 3 256.302 -1.071 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000560633261 327332809 /nfs/dbraw/zinc/33/28/09/327332809.db2.gz BNFZHMUYKHCXRD-IMSYWVGJSA-N 0 3 256.302 -1.071 20 0 CAADHN CO[C@H](CN)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000583377975 327333641 /nfs/dbraw/zinc/33/36/41/327333641.db2.gz CLXILFUBJCIKFZ-SECBINFHSA-N 0 3 258.322 -2.150 20 0 CAADHN NC(C(=O)NCCCS(N)(=O)=O)C(F)(F)F ZINC000583379527 327334686 /nfs/dbraw/zinc/33/46/86/327334686.db2.gz AENKLVDRLQYDFZ-SCSAIBSYSA-N 0 3 263.241 -1.329 20 0 CAADHN CC(=O)NCCN(C)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000583381232 327334909 /nfs/dbraw/zinc/33/49/09/327334909.db2.gz BRWBSUGHKOLEJH-LLVKDONJSA-N 0 3 284.360 -1.079 20 0 CAADHN CN1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1=O ZINC000583387153 327337789 /nfs/dbraw/zinc/33/77/89/327337789.db2.gz BSKFBZOOQZKAIF-VIFPVBQESA-N 0 3 268.317 -1.860 20 0 CAADHN CN1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1=O ZINC000583387152 327337804 /nfs/dbraw/zinc/33/78/04/327337804.db2.gz BSKFBZOOQZKAIF-SECBINFHSA-N 0 3 268.317 -1.860 20 0 CAADHN CCOCCOCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583392409 327340113 /nfs/dbraw/zinc/34/01/13/327340113.db2.gz GEOWRAREVHARCA-WDEREUQCSA-N 0 3 285.344 -1.190 20 0 CAADHN C[C@@H](CN[C@H](CO)CN1CCOCC1)S(C)(=O)=O ZINC000578770500 327351338 /nfs/dbraw/zinc/35/13/38/327351338.db2.gz UFMXTZIHRZQBSU-QWRGUYRKSA-N 0 3 280.390 -1.298 20 0 CAADHN C[C@H](CN[C@@H](CO)CN1CCOCC1)S(C)(=O)=O ZINC000578770497 327351416 /nfs/dbraw/zinc/35/14/16/327351416.db2.gz UFMXTZIHRZQBSU-GHMZBOCLSA-N 0 3 280.390 -1.298 20 0 CAADHN C[C@@H](CN[C@@H](CO)CN1CCOCC1)S(C)(=O)=O ZINC000578770501 327351480 /nfs/dbraw/zinc/35/14/80/327351480.db2.gz UFMXTZIHRZQBSU-WDEREUQCSA-N 0 3 280.390 -1.298 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000574650683 327360781 /nfs/dbraw/zinc/36/07/81/327360781.db2.gz HLNMLIWQPZYSKX-JTQLQIEISA-N 0 3 298.343 -2.218 20 0 CAADHN CN(C)S(=O)(=O)N(C)CC(=O)NC1CCN(C)CC1 ZINC000561091961 327365969 /nfs/dbraw/zinc/36/59/69/327365969.db2.gz NYKNZQDZYURNSI-UHFFFAOYSA-N 0 3 292.405 -1.065 20 0 CAADHN CCN1C[C@@H](NC(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000561218132 327376641 /nfs/dbraw/zinc/37/66/41/327376641.db2.gz SCDNAMYQRDRMMV-WDEREUQCSA-N 0 3 283.376 -1.109 20 0 CAADHN CN1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000561230950 327377696 /nfs/dbraw/zinc/37/76/96/327377696.db2.gz TWXCYEOAWBNSGW-VHSXEESVSA-N 0 3 297.359 -2.565 20 0 CAADHN CN[C@@H](C)C(=O)NCCCn1c(=O)ccn(C)c1=O ZINC000569622314 327380763 /nfs/dbraw/zinc/38/07/63/327380763.db2.gz DCIYEHCDYFHRDD-VIFPVBQESA-N 0 3 268.317 -1.339 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC(NC(C)=O)C1 ZINC000566480698 327391780 /nfs/dbraw/zinc/39/17/80/327391780.db2.gz BETUKGCXOFUNAS-LBPRGKRZSA-N 0 3 259.350 -1.254 20 0 CAADHN CCOCCS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566497432 327399885 /nfs/dbraw/zinc/39/98/85/327399885.db2.gz ZQOKEEGDGSYKRL-NXEZZACHSA-N 0 3 291.373 -1.404 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000564728125 327442240 /nfs/dbraw/zinc/44/22/40/327442240.db2.gz DMGCKGJPGLPGDO-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN O=C(Cn1nc2ccccn2c1=O)NC[C@@H]1CNCCO1 ZINC000575039247 327452485 /nfs/dbraw/zinc/45/24/85/327452485.db2.gz AJUJEZXHPVBSMW-JTQLQIEISA-N 0 3 291.311 -1.399 20 0 CAADHN CC(C)N1C[C@H](NC(=O)C(=O)NC2CNC2)CC1=O ZINC000562827845 327517384 /nfs/dbraw/zinc/51/73/84/327517384.db2.gz AXMQYTYGONSTEG-MRVPVSSYSA-N 0 3 268.317 -1.800 20 0 CAADHN O=C(CN1C[C@H]2CCC[C@@H](C1)N2)N1CCNC(=O)C1 ZINC000562837222 327519123 /nfs/dbraw/zinc/51/91/23/327519123.db2.gz KTVXQCLQRPIZEF-PHIMTYICSA-N 0 3 266.345 -1.229 20 0 CAADHN CN[C@@H](C)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000565215855 327525931 /nfs/dbraw/zinc/52/59/31/327525931.db2.gz NDNGUQUBMAJJGO-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN CCCC(=O)NCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569868530 327553064 /nfs/dbraw/zinc/55/30/64/327553064.db2.gz UXZFVMPKQGQZJE-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN COCC[C@@H](C)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000569949435 327557737 /nfs/dbraw/zinc/55/77/37/327557737.db2.gz RYCXPUHIGGSRPA-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN NS(=O)(=O)c1ccc(S(=O)(=O)NC2CNC2)cc1 ZINC000569971061 327558930 /nfs/dbraw/zinc/55/89/30/327558930.db2.gz CPQOIUWWCKZWMY-UHFFFAOYSA-N 0 3 291.354 -1.416 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC1CC1 ZINC000570158623 327573017 /nfs/dbraw/zinc/57/30/17/327573017.db2.gz VLRMULPHVXOFQI-JTQLQIEISA-N 0 3 282.344 -1.408 20 0 CAADHN COCCN1C[C@@H](C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000570322032 327582723 /nfs/dbraw/zinc/58/27/23/327582723.db2.gz OZCVBFKTOTWBFC-QWRGUYRKSA-N 0 3 285.344 -1.414 20 0 CAADHN COCCN(C(=O)C(=O)NC1CNC1)[C@H]1CCOC1 ZINC000570502017 327596406 /nfs/dbraw/zinc/59/64/06/327596406.db2.gz WAYTUQQZNVNOQE-JTQLQIEISA-N 0 3 271.317 -1.662 20 0 CAADHN CCOCCNC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000570643179 327608047 /nfs/dbraw/zinc/60/80/47/327608047.db2.gz OKVGELXJWOFQAB-QWRGUYRKSA-N 0 3 259.350 -1.254 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000582291375 328951236 /nfs/dbraw/zinc/95/12/36/328951236.db2.gz ONFVFCLNKRIXNL-UHFFFAOYSA-N 0 3 276.296 -1.240 20 0 CAADHN CCOC[C@H](O)CNCCNS(=O)(=O)CC ZINC000390289386 328967121 /nfs/dbraw/zinc/96/71/21/328967121.db2.gz WIIKGNGCCLSZBV-SECBINFHSA-N 0 3 254.352 -1.087 20 0 CAADHN CCN1C[C@H](NC[C@@H](O)CN2CCOCC2)CC1=O ZINC000391611945 328979558 /nfs/dbraw/zinc/97/95/58/328979558.db2.gz DCROXZKZNKFBPJ-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CC(C)(NS(C)(=O)=O)C(=O)NC[C@@H]1CNCCO1 ZINC000583692992 329003637 /nfs/dbraw/zinc/00/36/37/329003637.db2.gz SUTRIPIHWZSYFJ-QMMMGPOBSA-N 0 3 279.362 -1.581 20 0 CAADHN NCC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000583694363 329004396 /nfs/dbraw/zinc/00/43/96/329004396.db2.gz XZNMDYFYIYWCPX-JTQLQIEISA-N 0 3 291.373 -1.402 20 0 CAADHN O=C(CN1CCCC1)N1CCN([C@@H]2CC(=O)NC2=O)CC1 ZINC000582495151 329100766 /nfs/dbraw/zinc/10/07/66/329100766.db2.gz ZEITWRSZTITPLY-LLVKDONJSA-N 0 3 294.355 -1.359 20 0 CAADHN O=C(CN1CCCC1)N1CCN([C@H]2CC(=O)NC2=O)CC1 ZINC000582495152 329100796 /nfs/dbraw/zinc/10/07/96/329100796.db2.gz ZEITWRSZTITPLY-NSHDSACASA-N 0 3 294.355 -1.359 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NC2CNC2)CC(=O)N1C ZINC000582596587 329113620 /nfs/dbraw/zinc/11/36/20/329113620.db2.gz ZSGDVBFRVYDZDA-ZETCQYMHSA-N 0 3 254.290 -2.237 20 0 CAADHN O=C(CN1CCCNC1=O)NC[C@H]1CNCCO1 ZINC000582605487 329114900 /nfs/dbraw/zinc/11/49/00/329114900.db2.gz AYAICPMVYNCFKJ-SECBINFHSA-N 0 3 256.306 -1.494 20 0 CAADHN O=C(CN1CCCNC1=O)NC[C@@H]1CNCCO1 ZINC000582605488 329115056 /nfs/dbraw/zinc/11/50/56/329115056.db2.gz AYAICPMVYNCFKJ-VIFPVBQESA-N 0 3 256.306 -1.494 20 0 CAADHN OC[C@@H](CN1CCOCC1)NC[C@H](O)Cn1cccn1 ZINC000582606263 329115246 /nfs/dbraw/zinc/11/52/46/329115246.db2.gz LZULGAKDGCBWFL-OLZOCXBDSA-N 0 3 284.360 -1.473 20 0 CAADHN CO[C@@H](C)CS(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000582609624 329116047 /nfs/dbraw/zinc/11/60/47/329116047.db2.gz NJLIYMGDXVYLAQ-UWVGGRQHSA-N 0 3 265.379 -1.074 20 0 CAADHN Cc1nc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCN2C)cn1C ZINC000394395413 329118823 /nfs/dbraw/zinc/11/88/23/329118823.db2.gz CWESJPUVTUSYBT-JTQLQIEISA-N 0 3 287.389 -1.090 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCN2C)c1 ZINC000394424735 329119564 /nfs/dbraw/zinc/11/95/64/329119564.db2.gz PUZQOVPQIKAEQX-SECBINFHSA-N 0 3 273.362 -1.398 20 0 CAADHN C[C@@H]1CN(CCN2CCN3C(=O)[C@H](N)C[C@H]3C2)CCO1 ZINC000582796287 329208145 /nfs/dbraw/zinc/20/81/45/329208145.db2.gz BCFDZIOXTRDSDN-FRRDWIJNSA-N 0 3 282.388 -1.049 20 0 CAADHN C[C@@H]1CN(CCN2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCO1 ZINC000582796288 329208309 /nfs/dbraw/zinc/20/83/09/329208309.db2.gz BCFDZIOXTRDSDN-JHJVBQTASA-N 0 3 282.388 -1.049 20 0 CAADHN COCCN(C)C[C@@H](O)CN1C[C@@H](O)[C@H](OC)C1 ZINC000395345569 329283216 /nfs/dbraw/zinc/28/32/16/329283216.db2.gz AVXJXKYLAOGFPS-IJLUTSLNSA-N 0 3 262.350 -1.383 20 0 CAADHN CS(=O)(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000582971927 329296706 /nfs/dbraw/zinc/29/67/06/329296706.db2.gz CYIUZOMOPRTJED-XHNCKOQMSA-N 0 3 279.337 -1.164 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN(c2ccccn2)CC1 ZINC000583074656 329310524 /nfs/dbraw/zinc/31/05/24/329310524.db2.gz AEXWIJQQNHAHRB-UHFFFAOYSA-N 0 3 289.339 -1.182 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000583154229 329323849 /nfs/dbraw/zinc/32/38/49/329323849.db2.gz WRDKYOQOPNYWTI-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN CN(C)[C@H]1CN(CC(=O)N2CCOCC2)C[C@@H]1O ZINC000583182364 329347581 /nfs/dbraw/zinc/34/75/81/329347581.db2.gz JBBKDNACVKFQEM-QWRGUYRKSA-N 0 3 257.334 -1.548 20 0 CAADHN C[C@@H](NC1CC1)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000583202140 329361322 /nfs/dbraw/zinc/36/13/22/329361322.db2.gz SBRBDOSTWZEBFA-SNVBAGLBSA-N 0 3 289.401 -1.027 20 0 CAADHN C[C@H](NC1CC1)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000583202139 329361379 /nfs/dbraw/zinc/36/13/79/329361379.db2.gz SBRBDOSTWZEBFA-JTQLQIEISA-N 0 3 289.401 -1.027 20 0 CAADHN CC(C)n1nnnc1CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583215021 329370318 /nfs/dbraw/zinc/37/03/18/329370318.db2.gz LNHHBWUVNZSGTM-NXEZZACHSA-N 0 3 279.348 -1.002 20 0 CAADHN Cn1cc(C(=O)C(=O)NC[C@H]2CNCCN2C)cn1 ZINC000583257930 329403982 /nfs/dbraw/zinc/40/39/82/329403982.db2.gz DVNUIQKCPQRFBC-SNVBAGLBSA-N 0 3 265.317 -1.377 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC(C)(C(N)=O)C2)CC1=O ZINC000583264620 329410723 /nfs/dbraw/zinc/41/07/23/329410723.db2.gz DHEKBJPUMMMIOU-SNVBAGLBSA-N 0 3 296.371 -1.270 20 0 CAADHN CC[C@H](NCCC(=O)NC(N)=O)C(=O)N1CCOCC1 ZINC000584405337 329458437 /nfs/dbraw/zinc/45/84/37/329458437.db2.gz AEQZRPONIBJJBN-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCOC1CNC1 ZINC000584411289 329460887 /nfs/dbraw/zinc/46/08/87/329460887.db2.gz VLNZGKMOXQZTFW-SNVBAGLBSA-N 0 3 299.327 -1.745 20 0 CAADHN COC(=O)C[C@H](N)C(=O)NCCNc1ccncc1 ZINC000584527582 329512661 /nfs/dbraw/zinc/51/26/61/329512661.db2.gz UKOKZIPGXBQBFR-JTQLQIEISA-N 0 3 266.301 -1.078 20 0 CAADHN O=C(Cn1ccccc1=O)NC[C@H]1CNCCO1 ZINC000584528973 329513232 /nfs/dbraw/zinc/51/32/32/329513232.db2.gz IRZXGYPDEUQVLM-SNVBAGLBSA-N 0 3 251.286 -1.047 20 0 CAADHN CO[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000583866168 329520235 /nfs/dbraw/zinc/52/02/35/329520235.db2.gz ZKURLYZMDVEUJM-NEPJUHHUSA-N 0 3 298.387 -1.275 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC1CC1 ZINC000583868692 329522526 /nfs/dbraw/zinc/52/25/26/329522526.db2.gz IDFRVSVJSZGWNU-GXSJLCMTSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)NCCN[C@H]1CC(=O)N(CCN(C)C)C1=O ZINC000571696623 329910455 /nfs/dbraw/zinc/91/04/55/329910455.db2.gz FZUCZQLMGCVHEQ-JTQLQIEISA-N 0 3 270.333 -1.599 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000571835443 329924153 /nfs/dbraw/zinc/92/41/53/329924153.db2.gz WMPLXESYHPFSAR-SECBINFHSA-N 0 3 272.349 -1.353 20 0 CAADHN CN(C)C(=O)C1(CNC(=O)C(=O)NC2CNC2)CCCC1 ZINC000571866339 329924487 /nfs/dbraw/zinc/92/44/87/329924487.db2.gz CLMVNCFQTCLCEO-UHFFFAOYSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CNC[C@H](O)CO ZINC000571954936 329931721 /nfs/dbraw/zinc/93/17/21/329931721.db2.gz RPIUCPMNPMRWJA-UWVGGRQHSA-N 0 3 294.307 -1.414 20 0 CAADHN CC(C)OC(=O)CCNC(=O)C(=O)NC1CNC1 ZINC000572104607 329944839 /nfs/dbraw/zinc/94/48/39/329944839.db2.gz MVVAPSHFFRRIOO-UHFFFAOYSA-N 0 3 257.290 -1.468 20 0 CAADHN CN(C[C@H]1CCC[C@H]1O)C(=O)C(=O)NC1CNC1 ZINC000572382657 330035863 /nfs/dbraw/zinc/03/58/63/330035863.db2.gz ZPNGWRREJGENPL-PSASIEDQSA-N 0 3 255.318 -1.306 20 0 CAADHN O=C(CNC(=O)c1cccnc1)NC[C@@H]1CNCCO1 ZINC000572402246 330063188 /nfs/dbraw/zinc/06/31/88/330063188.db2.gz BSWPWRJZFNGJHU-NSHDSACASA-N 0 3 278.312 -1.084 20 0 CAADHN O=C(CNC(=O)c1cccnc1)NC[C@H]1CNCCO1 ZINC000572402245 330063261 /nfs/dbraw/zinc/06/32/61/330063261.db2.gz BSWPWRJZFNGJHU-LLVKDONJSA-N 0 3 278.312 -1.084 20 0 CAADHN CN(C)C[C@@H](CO)NC[C@@H](O)CN1CCOCC1 ZINC000580431384 330131341 /nfs/dbraw/zinc/13/13/41/330131341.db2.gz KMCKLFDYHNUSBH-NWDGAFQWSA-N 0 3 261.366 -1.808 20 0 CAADHN CN1CCC[C@H](NC[C@H](O)CN2CCOCC2)C1=O ZINC000572834661 330842114 /nfs/dbraw/zinc/84/21/14/330842114.db2.gz UULSOUQCAJXYAA-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@H]1N ZINC000424199493 533711106 /nfs/dbraw/zinc/71/11/06/533711106.db2.gz YVBOQQNALUNHQG-CSMHCCOUSA-N 0 3 255.274 -1.776 20 0 CAADHN CO[C@H](CN)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000575741474 335110571 /nfs/dbraw/zinc/11/05/71/335110571.db2.gz WXTVBCKJQROOCK-RKDXNWHRSA-N 0 3 279.362 -1.500 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC[C@@H]3CCCO3)CCN2C1=O ZINC000575763590 335113369 /nfs/dbraw/zinc/11/33/69/335113369.db2.gz WPBWWIUHKSVPOJ-GRYCIOLGSA-N 0 3 296.371 -1.475 20 0 CAADHN CN(C)CCn1ccc(C(=O)NC[C@@](C)(O)CO)n1 ZINC000575760704 335113034 /nfs/dbraw/zinc/11/30/34/335113034.db2.gz WIKAMNGITJSUDC-GFCCVEGCSA-N 0 3 270.333 -1.082 20 0 CAADHN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)COC1CNC1 ZINC000566249772 334638743 /nfs/dbraw/zinc/63/87/43/334638743.db2.gz KTZVTFLHXLGMEY-GXSJLCMTSA-N 0 3 272.301 -1.500 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CC1CCN(C)CC1 ZINC000566404428 334646414 /nfs/dbraw/zinc/64/64/14/334646414.db2.gz RWECRJGBQLVPSP-UHFFFAOYSA-N 0 3 292.405 -1.160 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2ncc[nH]2)CCCO1 ZINC001200428030 782095292 /nfs/dbraw/zinc/09/52/92/782095292.db2.gz FCRHVCAXPSBDBB-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)C[C@H]2CNCCO2)CCO1 ZINC000516780394 333082315 /nfs/dbraw/zinc/08/23/15/333082315.db2.gz AHMWVHHIXDAIGD-UWVGGRQHSA-N 0 3 272.301 -1.235 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)C[C@H]2CNCCO2)CCO1 ZINC000516780395 333082332 /nfs/dbraw/zinc/08/23/32/333082332.db2.gz AHMWVHHIXDAIGD-VHSXEESVSA-N 0 3 272.301 -1.235 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000516937018 333086870 /nfs/dbraw/zinc/08/68/70/333086870.db2.gz UUHHIRXZLJBFHE-VHSXEESVSA-N 0 3 290.389 -1.265 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2ncc[nH]2)CCCO1 ZINC001200428029 782095531 /nfs/dbraw/zinc/09/55/31/782095531.db2.gz FCRHVCAXPSBDBB-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@H]1CNC(=O)C1 ZINC000575880243 335127672 /nfs/dbraw/zinc/12/76/72/335127672.db2.gz OAIHLEUJEVRVGL-NOZJJQNGSA-N 0 3 267.329 -1.305 20 0 CAADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@H]1CNC(=O)C1 ZINC000575880244 335127636 /nfs/dbraw/zinc/12/76/36/335127636.db2.gz OAIHLEUJEVRVGL-RNCFNFMXSA-N 0 3 267.329 -1.305 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCc2nnn(C)n2)CC1=O ZINC000575973114 335136400 /nfs/dbraw/zinc/13/64/00/335136400.db2.gz FIQCVSDHNLSUHE-SECBINFHSA-N 0 3 295.347 -1.764 20 0 CAADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C(=O)C2)CCN1C ZINC000576049756 335145779 /nfs/dbraw/zinc/14/57/79/335145779.db2.gz KLFUUHUHUWSWKJ-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN C[NH+](C)CCN1CCN(C(=O)C[C@@H]2NC(=O)[N-]C2=O)CC1 ZINC000539110115 333658691 /nfs/dbraw/zinc/65/86/91/333658691.db2.gz BMDROZJQOPMHOP-JTQLQIEISA-N 0 3 297.359 -1.710 20 0 CAADHN NCC(=O)NCC(=O)NC[C@@H](N)c1ccccc1 ZINC000576157802 335161996 /nfs/dbraw/zinc/16/19/96/335161996.db2.gz QSFTYZHKRZXMJB-SNVBAGLBSA-N 0 3 250.302 -1.123 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]2C(N)=O)CC1=O ZINC000073356423 333971355 /nfs/dbraw/zinc/97/13/55/333971355.db2.gz UJIGHDHJLWERBQ-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H]2C(N)=O)CC1=O ZINC000073356420 333971450 /nfs/dbraw/zinc/97/14/50/333971450.db2.gz UJIGHDHJLWERBQ-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN CCS(=O)(=O)NCCCN(CCO)CCO ZINC000132399564 333979323 /nfs/dbraw/zinc/97/93/23/333979323.db2.gz RUXGMQYCRMOKFG-UHFFFAOYSA-N 0 3 254.352 -1.398 20 0 CAADHN CN(C)CCn1ccc(C(=O)N[C@H]2CN(C)NC2=O)n1 ZINC000565189995 334007623 /nfs/dbraw/zinc/00/76/23/334007623.db2.gz FOIJDVXIBFDDPN-JTQLQIEISA-N 0 3 280.332 -1.480 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CN2CCCNC2=O)C1 ZINC000546571437 334038436 /nfs/dbraw/zinc/03/84/36/334038436.db2.gz NDKFPGSEYWGEOT-LBPRGKRZSA-N 0 3 270.333 -1.416 20 0 CAADHN CN(C)CCNC(=O)NCCNS(C)(=O)=O ZINC000133393911 334039951 /nfs/dbraw/zinc/03/99/51/334039951.db2.gz VXQLBLKNXAIHFV-UHFFFAOYSA-N 0 3 252.340 -1.604 20 0 CAADHN CC(C)(O)C(C)(C)CNC(=O)C(=O)NC1CNC1 ZINC000564309958 334050410 /nfs/dbraw/zinc/05/04/10/334050410.db2.gz PGYPMUNKMTZVNK-UHFFFAOYSA-N 0 3 257.334 -1.012 20 0 CAADHN C[C@@H](NC(=O)[C@H]1COCCO1)C(=O)NCCN(C)C ZINC000564311869 334058046 /nfs/dbraw/zinc/05/80/46/334058046.db2.gz SRUKZMJXESHUPX-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN CNC(=O)N[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000547371899 334084351 /nfs/dbraw/zinc/08/43/51/334084351.db2.gz JKFPRTLFFJNZSI-NWDGAFQWSA-N 0 3 295.387 -1.094 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@@H]2CCN(C)C2=O)C1 ZINC000547779487 334117571 /nfs/dbraw/zinc/11/75/71/334117571.db2.gz FXDOQCXNHWUMRY-BXKDBHETSA-N 0 3 270.333 -1.417 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@H]2CCN(C)C2=O)C1 ZINC000547779488 334117637 /nfs/dbraw/zinc/11/76/37/334117637.db2.gz FXDOQCXNHWUMRY-CABZTGNLSA-N 0 3 270.333 -1.417 20 0 CAADHN CO[C@@H]1CN[C@@H](C(=O)N[C@@H](C)C(=O)N2CCOCC2)C1 ZINC000135421243 334129450 /nfs/dbraw/zinc/12/94/50/334129450.db2.gz YLEXMTBFGLEBCK-GARJFASQSA-N 0 3 285.344 -1.273 20 0 CAADHN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NC1CNC1 ZINC000576256162 335178565 /nfs/dbraw/zinc/17/85/65/335178565.db2.gz XBLJRFOQTXLZMF-MRVPVSSYSA-N 0 3 284.360 -1.164 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC3CC3)CCN2C1=O ZINC000564349370 334154325 /nfs/dbraw/zinc/15/43/25/334154325.db2.gz LBOLRFDULWOQTF-NXEZZACHSA-N 0 3 252.318 -1.491 20 0 CAADHN COC[C@](C)(CCO)NCCNS(C)(=O)=O ZINC000079920811 334164362 /nfs/dbraw/zinc/16/43/62/334164362.db2.gz LUQQAHNYGXBELI-VIFPVBQESA-N 0 3 254.352 -1.087 20 0 CAADHN COC[C@@](C)(CCO)NCCNS(C)(=O)=O ZINC000079920808 334164373 /nfs/dbraw/zinc/16/43/73/334164373.db2.gz LUQQAHNYGXBELI-SECBINFHSA-N 0 3 254.352 -1.087 20 0 CAADHN CN1CCC[C@@H](CNC(=O)NCCS(N)(=O)=O)C1 ZINC000548765436 334173461 /nfs/dbraw/zinc/17/34/61/334173461.db2.gz VWVOCXWLENKQFL-VIFPVBQESA-N 0 3 278.378 -1.084 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CCNC(=O)C2)CC1=O ZINC000081229287 334181580 /nfs/dbraw/zinc/18/15/80/334181580.db2.gz RVZCHUQNCWURPL-SNVBAGLBSA-N 0 3 282.344 -1.645 20 0 CAADHN NC(=O)[C@@H]1CCCN1CCOCCN1CCC[C@H]1C(N)=O ZINC000246944073 334272431 /nfs/dbraw/zinc/27/24/31/334272431.db2.gz HRPBSPIULOZDLT-RYUDHWBXSA-N 0 3 298.387 -1.098 20 0 CAADHN CN(C[C@@H](O)Cn1cccn1)C[C@H](O)CN1CCOCC1 ZINC000083246126 334256031 /nfs/dbraw/zinc/25/60/31/334256031.db2.gz VOEQINKZNDJQPW-UONOGXRCSA-N 0 3 298.387 -1.131 20 0 CAADHN COC(=O)[C@H](CO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000564381744 334258075 /nfs/dbraw/zinc/25/80/75/334258075.db2.gz VUAJWIWLORVALM-VHSXEESVSA-N 0 3 271.317 -1.974 20 0 CAADHN O=C(CN1CCOCC1=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000552028299 334278277 /nfs/dbraw/zinc/27/82/77/334278277.db2.gz UTNCKVMRNPTUCM-CQSZACIVSA-N 0 3 297.355 -1.582 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CN(C)CCO1)C(=O)NCCN(C)C ZINC000552077480 334286522 /nfs/dbraw/zinc/28/65/22/334286522.db2.gz MAAAFFNGWYNVTK-GHMZBOCLSA-N 0 3 286.376 -1.501 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CN(C)CCO1)C(=O)NCCN(C)C ZINC000552077482 334286549 /nfs/dbraw/zinc/28/65/49/334286549.db2.gz MAAAFFNGWYNVTK-QWRGUYRKSA-N 0 3 286.376 -1.501 20 0 CAADHN C[C@H](NC(=O)[C@H]1CN(C)CCO1)C(=O)NCCN(C)C ZINC000552077483 334286693 /nfs/dbraw/zinc/28/66/93/334286693.db2.gz MAAAFFNGWYNVTK-WDEREUQCSA-N 0 3 286.376 -1.501 20 0 CAADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@H]1COCCO1 ZINC000552210532 334303214 /nfs/dbraw/zinc/30/32/14/334303214.db2.gz IWOHSCYOXILVHW-WCQYABFASA-N 0 3 270.329 -1.025 20 0 CAADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@H]1COCCO1 ZINC000552210533 334303316 /nfs/dbraw/zinc/30/33/16/334303316.db2.gz IWOHSCYOXILVHW-YPMHNXCESA-N 0 3 270.329 -1.025 20 0 CAADHN C[C@@H](NC(=O)CCn1ccnn1)C(=O)NCCN(C)C ZINC000552311801 334315609 /nfs/dbraw/zinc/31/56/09/334315609.db2.gz AQXKCBZHWNYMNE-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@H](NC(=O)CCn1ccnn1)C(=O)NCCN(C)C ZINC000552311800 334315689 /nfs/dbraw/zinc/31/56/89/334315689.db2.gz AQXKCBZHWNYMNE-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@H](CO)N(C[C@H](C)O)C[C@@H](O)CN1CCOCC1 ZINC000248883948 334320593 /nfs/dbraw/zinc/32/05/93/334320593.db2.gz DOWWRUNRXQCCRF-AGIUHOORSA-N 0 3 276.377 -1.257 20 0 CAADHN C[C@H](CO)N(C[C@H](O)CN1CCOCC1)C[C@H](C)O ZINC000248883960 334320740 /nfs/dbraw/zinc/32/07/40/334320740.db2.gz DOWWRUNRXQCCRF-FRRDWIJNSA-N 0 3 276.377 -1.257 20 0 CAADHN C[C@H](O)CN1CCN(CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000249039586 334325244 /nfs/dbraw/zinc/32/52/44/334325244.db2.gz MUHQHNVMWLZASP-QWRGUYRKSA-N 0 3 279.406 -1.078 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000552437331 334327590 /nfs/dbraw/zinc/32/75/90/334327590.db2.gz WTSOFZRUOWYBLY-WOPDTQHZSA-N 0 3 269.345 -1.012 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000552437330 334327607 /nfs/dbraw/zinc/32/76/07/334327607.db2.gz WTSOFZRUOWYBLY-SRVKXCTJSA-N 0 3 269.345 -1.012 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@H](N2CCCC2)C1 ZINC000555561434 334481947 /nfs/dbraw/zinc/48/19/47/334481947.db2.gz QPTFXZNKRNNPCC-JTQLQIEISA-N 0 3 290.389 -1.263 20 0 CAADHN COC[C@@H](O)CNCCNS(=O)(=O)NC(C)C ZINC000564863509 334524704 /nfs/dbraw/zinc/52/47/04/334524704.db2.gz HPNHGRRMHDGNDW-VIFPVBQESA-N 0 3 269.367 -1.584 20 0 CAADHN O=C(CNC[C@H]1CCCO1)NCCn1ncnn1 ZINC000564942218 334529564 /nfs/dbraw/zinc/52/95/64/334529564.db2.gz LZFVNWCNYLSNMU-SECBINFHSA-N 0 3 254.294 -1.442 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCNCC1 ZINC000564947452 334529812 /nfs/dbraw/zinc/52/98/12/334529812.db2.gz DKFNLLICYFUKCZ-ONGXEEELSA-N 0 3 256.350 -1.092 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN)CCO)CO1 ZINC000564977930 334531689 /nfs/dbraw/zinc/53/16/89/334531689.db2.gz BFUYKRSYQDUSLW-DTWKUNHWSA-N 0 3 259.306 -1.940 20 0 CAADHN CN(C)[C@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H]1O ZINC000565196332 334544076 /nfs/dbraw/zinc/54/40/76/334544076.db2.gz QOJOJOWMWCWJKC-QWRGUYRKSA-N 0 3 268.317 -1.068 20 0 CAADHN C[C@@H](NC(=O)c1ncn(C)n1)C(=O)NCCN(C)C ZINC000565204727 334544740 /nfs/dbraw/zinc/54/47/40/334544740.db2.gz MDZGKOXAWLWDKM-MRVPVSSYSA-N 0 3 268.321 -1.389 20 0 CAADHN COC(=O)C[C@H](N)C(=O)NC[C@H](C)CN1CCOCC1 ZINC000565714504 334590386 /nfs/dbraw/zinc/59/03/86/334590386.db2.gz LKFSDTMTIUVGQP-QWRGUYRKSA-N 0 3 287.360 -1.039 20 0 CAADHN CSC[C@@H](O)CN[C@@H](CO)CN1CCOCC1 ZINC000565833517 334601158 /nfs/dbraw/zinc/60/11/58/334601158.db2.gz HPNFBTXBGNGDKK-MNOVXSKESA-N 0 3 264.391 -1.007 20 0 CAADHN CCc1noc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000565844921 334602836 /nfs/dbraw/zinc/60/28/36/334602836.db2.gz FLQDELGHZUXRIV-JGVFFNPUSA-N 0 3 294.315 -1.170 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000565878345 334605141 /nfs/dbraw/zinc/60/51/41/334605141.db2.gz QVDBVFZIAACQGI-GRYCIOLGSA-N 0 3 299.371 -1.074 20 0 CAADHN CC1(C)CCCN[C@@H]1C(=O)NC(C(N)=O)C(N)=O ZINC000566098161 334622256 /nfs/dbraw/zinc/62/22/56/334622256.db2.gz CHURIVJEXLDNGB-SSDOTTSWSA-N 0 3 256.306 -1.780 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)CNC1CC1 ZINC000566251755 334638987 /nfs/dbraw/zinc/63/89/87/334638987.db2.gz UHBCYIFRAQXYRQ-UHFFFAOYSA-N 0 3 257.290 -1.385 20 0 CAADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000566379288 334645342 /nfs/dbraw/zinc/64/53/42/334645342.db2.gz LVFQQIYMJAPODK-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN O=C(NCCN1CCCC1=O)C(=O)NC1CNC1 ZINC000566378665 334645479 /nfs/dbraw/zinc/64/54/79/334645479.db2.gz CCYBQAXUIQMXCY-UHFFFAOYSA-N 0 3 254.290 -2.187 20 0 CAADHN COC(=O)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566507688 334653462 /nfs/dbraw/zinc/65/34/62/334653462.db2.gz LGVUCOFPCSYYAV-ZJUUUORDSA-N 0 3 298.343 -1.107 20 0 CAADHN COC(=O)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566507686 334653567 /nfs/dbraw/zinc/65/35/67/334653567.db2.gz LGVUCOFPCSYYAV-UWVGGRQHSA-N 0 3 298.343 -1.107 20 0 CAADHN CN1CCN(C(=O)CCCS(C)(=O)=O)[C@H](CN)C1 ZINC000566560543 334655418 /nfs/dbraw/zinc/65/54/18/334655418.db2.gz ZIRXHFNBPMYPRR-SNVBAGLBSA-N 0 3 277.390 -1.088 20 0 CAADHN CN(C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC000566813466 334665466 /nfs/dbraw/zinc/66/54/66/334665466.db2.gz PXCGGQZZJVDUHH-UHFFFAOYSA-N 0 3 266.367 -1.598 20 0 CAADHN COC(=O)C1(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000567062562 334677778 /nfs/dbraw/zinc/67/77/78/334677778.db2.gz APSBZDQKTGHDQM-DTWKUNHWSA-N 0 3 281.312 -1.290 20 0 CAADHN CO[C@@H]1CN[C@@H](C(=O)N(C)CC(=O)N2CCOCC2)C1 ZINC000567498157 334725790 /nfs/dbraw/zinc/72/57/90/334725790.db2.gz GWCWFZAEPLBDBD-WDEREUQCSA-N 0 3 285.344 -1.320 20 0 CAADHN O=C(CNC(=O)[C@H]1C[C@H](F)CN1)N1CCNCC1 ZINC000567732725 334756540 /nfs/dbraw/zinc/75/65/40/334756540.db2.gz QLMDWBUIKJDTCW-DTWKUNHWSA-N 0 3 258.297 -1.766 20 0 CAADHN COC(=O)CNC(=O)CCN[C@@H]1COC[C@H]1OC ZINC000567813207 334763391 /nfs/dbraw/zinc/76/33/91/334763391.db2.gz XJMNOFNRMHDEBC-RKDXNWHRSA-N 0 3 260.290 -1.331 20 0 CAADHN Nc1cnc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cn1 ZINC000567830945 334765692 /nfs/dbraw/zinc/76/56/92/334765692.db2.gz BDFRFEKLOFEENM-UHFFFAOYSA-N 0 3 289.303 -1.161 20 0 CAADHN CCN1CCN(CC(=O)NC[C@@H]2CNCCO2)C(=O)C1=O ZINC000567847313 334767754 /nfs/dbraw/zinc/76/77/54/334767754.db2.gz ICFVYYLYNLYJOX-JTQLQIEISA-N 0 3 298.343 -2.218 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CNC[C@](C)(O)CO)C[C@@H](C)O1 ZINC000567876980 334770772 /nfs/dbraw/zinc/77/07/72/334770772.db2.gz DHTLIYJUFNEVJR-LPWJVIDDSA-N 0 3 276.377 -1.211 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CNC[C@@](C)(O)CO)C[C@@H](C)O1 ZINC000567876979 334770989 /nfs/dbraw/zinc/77/09/89/334770989.db2.gz DHTLIYJUFNEVJR-FDYHWXHSSA-N 0 3 276.377 -1.211 20 0 CAADHN COC[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568294239 334813461 /nfs/dbraw/zinc/81/34/61/334813461.db2.gz MVSQRLWWJJZHOY-UTLUCORTSA-N 0 3 270.333 -1.025 20 0 CAADHN COCCNCCNC(=O)N[C@@H]1COC[C@H]1OC ZINC000568508180 334827731 /nfs/dbraw/zinc/82/77/31/334827731.db2.gz ZOEYQSLGLPVSMH-NXEZZACHSA-N 0 3 261.322 -1.065 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3CCC3)CCN2C1=O ZINC000568782996 334840805 /nfs/dbraw/zinc/84/08/05/334840805.db2.gz JPOBFUUCLGEPRD-GHMZBOCLSA-N 0 3 294.355 -1.327 20 0 CAADHN CCN1CCN(CC(=O)NC[C@H]2CNCCO2)CC1 ZINC000572845557 334883718 /nfs/dbraw/zinc/88/37/18/334883718.db2.gz YEZDQHRJDLAGQM-GFCCVEGCSA-N 0 3 270.377 -1.272 20 0 CAADHN O=C(COC1CNC1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000573089220 334907196 /nfs/dbraw/zinc/90/71/96/334907196.db2.gz IKAWDJNLAXJLRL-NSHDSACASA-N 0 3 296.371 -1.602 20 0 CAADHN COC(=O)CCN(C)S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000573104117 334908568 /nfs/dbraw/zinc/90/85/68/334908568.db2.gz ALAIAQIYHYLEHJ-VIFPVBQESA-N 0 3 295.361 -1.696 20 0 CAADHN CN(C)[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1O ZINC000573230030 334919818 /nfs/dbraw/zinc/91/98/18/334919818.db2.gz VBRMMVCMOQVJAI-UWVGGRQHSA-N 0 3 296.327 -2.320 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000576290628 335184780 /nfs/dbraw/zinc/18/47/80/335184780.db2.gz LLSJFPLLUYDNCB-UWVGGRQHSA-N 0 3 257.334 -1.072 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000576359985 335194549 /nfs/dbraw/zinc/19/45/49/335194549.db2.gz IAKKEKOSWJFQLV-SRVKXCTJSA-N 0 3 296.371 -1.523 20 0 CAADHN COCCCN(C)CCNC(=O)NC(C)(CO)CO ZINC000576589256 335223298 /nfs/dbraw/zinc/22/32/98/335223298.db2.gz VTKXAUAJJITWSQ-UHFFFAOYSA-N 0 3 277.365 -1.003 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000576597313 335224746 /nfs/dbraw/zinc/22/47/46/335224746.db2.gz OGKYPQIEJZXULD-IUCAKERBSA-N 0 3 272.349 -1.320 20 0 CAADHN CCNC(=O)N1CC[C@H](NCCC(=O)NC(N)=O)C1 ZINC000576629774 335227843 /nfs/dbraw/zinc/22/78/43/335227843.db2.gz FTSZCCLIFWBOTA-QMMMGPOBSA-N 0 3 271.321 -1.035 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCSC[C@H]1C(N)=O ZINC000576765121 335245199 /nfs/dbraw/zinc/24/51/99/335245199.db2.gz FOXRYBHGNPRXRI-QWRGUYRKSA-N 0 3 291.417 -1.172 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCO[C@H]2CCC[C@H]21 ZINC000576929148 335264845 /nfs/dbraw/zinc/26/48/45/335264845.db2.gz QQIQJQJBXPYJIL-ZJUUUORDSA-N 0 3 253.302 -1.146 20 0 CAADHN CN1CCN(C(=O)C(=O)NCc2ccco2)[C@@H](CN)C1 ZINC000580634401 335307303 /nfs/dbraw/zinc/30/73/03/335307303.db2.gz NBGXJQCKDXQFIB-JTQLQIEISA-N 0 3 280.328 -1.003 20 0 CAADHN O=C1CN(CCNC[C@@H](O)CN2CCOCC2)CCN1 ZINC000577276152 335333423 /nfs/dbraw/zinc/33/34/23/335333423.db2.gz UFDIAKCFMYBJBS-GFCCVEGCSA-N 0 3 286.376 -2.299 20 0 CAADHN C[C@@H]1CCN(C)CCN1C(=O)C(=O)NC1CNC1 ZINC000577356741 335341930 /nfs/dbraw/zinc/34/19/30/335341930.db2.gz BRUAZBNQAPSAIE-SECBINFHSA-N 0 3 254.334 -1.373 20 0 CAADHN COCCN1C(=O)C[C@@H](NCCN2CCOCC2)C1=O ZINC000577383783 335345860 /nfs/dbraw/zinc/34/58/60/335345860.db2.gz IKMQBQYOEVEGCI-LLVKDONJSA-N 0 3 285.344 -1.318 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)COC[C@H]3CCCO3)CCN2C1=O ZINC000577507893 335361951 /nfs/dbraw/zinc/36/19/51/335361951.db2.gz AVQYVRWQRXUCCX-QJPTWQEYSA-N 0 3 297.355 -1.048 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)COC[C@H]3CCCO3)CCN2C1=O ZINC000577507892 335362070 /nfs/dbraw/zinc/36/20/70/335362070.db2.gz AVQYVRWQRXUCCX-IJLUTSLNSA-N 0 3 297.355 -1.048 20 0 CAADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)NC2CNC2)[C@H]1OC ZINC000577593941 335375070 /nfs/dbraw/zinc/37/50/70/335375070.db2.gz JITZEHIDPMVSJR-IVZWLZJFSA-N 0 3 271.317 -1.617 20 0 CAADHN CN1CCN(C(=O)C(=O)NC2CCC2)[C@H](CN)C1 ZINC000577627691 335382104 /nfs/dbraw/zinc/38/21/04/335382104.db2.gz FDORXGUEUFMREE-SNVBAGLBSA-N 0 3 254.334 -1.244 20 0 CAADHN CN1CCN(C(=O)c2ccc3nnnn3c2)[C@@H](CN)C1 ZINC000577634249 335383355 /nfs/dbraw/zinc/38/33/55/335383355.db2.gz GMUKYOWBVCYAJC-JTQLQIEISA-N 0 3 275.316 -1.161 20 0 CAADHN CN1CCN(C(=O)c2ccc3nnnn3c2)[C@H](CN)C1 ZINC000577634252 335383514 /nfs/dbraw/zinc/38/35/14/335383514.db2.gz GMUKYOWBVCYAJC-SNVBAGLBSA-N 0 3 275.316 -1.161 20 0 CAADHN CCOC[C@H](O)CN[C@@H](CO)CN1CCOCC1 ZINC000577870827 335415167 /nfs/dbraw/zinc/41/51/67/335415167.db2.gz SWUKTGXXEXCMHK-VXGBXAGGSA-N 0 3 262.350 -1.334 20 0 CAADHN CSCC[C@@H](N)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000578008413 335457682 /nfs/dbraw/zinc/45/76/82/335457682.db2.gz BCKDLJRIDPAWLU-SNVBAGLBSA-N 0 3 288.417 -1.043 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)CN3CSCC3=O)CCN2C1=O ZINC000578248200 335592343 /nfs/dbraw/zinc/59/23/43/335592343.db2.gz YTIBSXBQYCDSGN-IUCAKERBSA-N 0 3 298.368 -1.710 20 0 CAADHN C[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)O1 ZINC000578336225 335614011 /nfs/dbraw/zinc/61/40/11/335614011.db2.gz VZUXENUKOYNTNX-UTUOFQBUSA-N 0 3 298.387 -1.229 20 0 CAADHN COCCS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578379538 335623457 /nfs/dbraw/zinc/62/34/57/335623457.db2.gz BWISPOFNSVUHEF-BDAKNGLRSA-N 0 3 277.346 -1.794 20 0 CAADHN N[C@H]1C[C@@H]2CN(Cc3nnnn3C3CC3)CCN2C1=O ZINC000578523932 335645425 /nfs/dbraw/zinc/64/54/25/335645425.db2.gz VTWZQRRFEQMDAP-ZJUUUORDSA-N 0 3 277.332 -1.248 20 0 CAADHN CO[C@H](C)CS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578550347 335648607 /nfs/dbraw/zinc/64/86/07/335648607.db2.gz DEMMEMPVZWIVRW-KXUCPTDWSA-N 0 3 291.373 -1.405 20 0 CAADHN CO[C@@H](CN)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000578648022 335659113 /nfs/dbraw/zinc/65/91/13/335659113.db2.gz VRZPOYZKWJNIEL-QMMMGPOBSA-N 0 3 255.278 -1.771 20 0 CAADHN CCN1CCC(NC(=O)CNS(=O)(=O)NC)CC1 ZINC000578781427 335674486 /nfs/dbraw/zinc/67/44/86/335674486.db2.gz YPXUATTUJJMREK-UHFFFAOYSA-N 0 3 278.378 -1.359 20 0 CAADHN COCCCS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579004892 335699283 /nfs/dbraw/zinc/69/92/83/335699283.db2.gz ADHBCAQRZFONQM-NXEZZACHSA-N 0 3 291.373 -1.404 20 0 CAADHN CC1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000579007465 335699887 /nfs/dbraw/zinc/69/98/87/335699887.db2.gz OCOHRHDMNPMRQK-ZJUUUORDSA-N 0 3 294.355 -1.327 20 0 CAADHN COCCN(C)S(=O)(=O)NC[C@H]1CNCCN1C ZINC000579109247 335706899 /nfs/dbraw/zinc/70/68/99/335706899.db2.gz XGVRBJKJJUGVRD-SNVBAGLBSA-N 0 3 280.394 -1.697 20 0 CAADHN COC(=O)[C@@H]1COCCN1C(=O)COC1CNC1 ZINC000579475424 335768598 /nfs/dbraw/zinc/76/85/98/335768598.db2.gz SUJIWYQEOFRQCK-VIFPVBQESA-N 0 3 258.274 -1.625 20 0 CAADHN CN1CCN(C(=O)C(=O)N[C@H]2CCSC2)[C@@H](CN)C1 ZINC000580882581 335978993 /nfs/dbraw/zinc/97/89/93/335978993.db2.gz DMSMRUOLWDBNHR-UWVGGRQHSA-N 0 3 286.401 -1.291 20 0 CAADHN N[C@@H](C(=O)NCC(=O)NCCN1CCOCC1)C1CCC1 ZINC000580890844 335980317 /nfs/dbraw/zinc/98/03/17/335980317.db2.gz ATTPPMUKPZTYAA-CYBMUJFWSA-N 0 3 298.387 -1.322 20 0 CAADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)CCCF)CCN2C1=O ZINC000581082721 336006300 /nfs/dbraw/zinc/00/63/00/336006300.db2.gz MQVBGTPZIMVWLL-BDAKNGLRSA-N 0 3 279.337 -1.080 20 0 CAADHN N[C@H]1C[C@H]2CN(S(=O)(=O)CCCF)CCN2C1=O ZINC000581082727 336006332 /nfs/dbraw/zinc/00/63/32/336006332.db2.gz MQVBGTPZIMVWLL-IUCAKERBSA-N 0 3 279.337 -1.080 20 0 CAADHN N[C@H]1C[C@H]2CN(CC(=O)N3CCCC3)CCN2C1=O ZINC000581260484 336033951 /nfs/dbraw/zinc/03/39/51/336033951.db2.gz IXBSOKTXSJEUPX-QWRGUYRKSA-N 0 3 266.345 -1.147 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CC(=O)N3CCCC3)CCN2C1=O ZINC000581260478 336034021 /nfs/dbraw/zinc/03/40/21/336034021.db2.gz IXBSOKTXSJEUPX-GHMZBOCLSA-N 0 3 266.345 -1.147 20 0 CAADHN CN1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@H](CN)C1 ZINC000581489562 336088569 /nfs/dbraw/zinc/08/85/69/336088569.db2.gz MGCSYFMLKPLGCT-SECBINFHSA-N 0 3 297.359 -1.582 20 0 CAADHN CCN1CCN(CC(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000581550616 336100916 /nfs/dbraw/zinc/10/09/16/336100916.db2.gz HRHZCRPTRONFHP-CYBMUJFWSA-N 0 3 283.420 -1.275 20 0 CAADHN CC(C)(C)C(=O)NCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581559124 336103319 /nfs/dbraw/zinc/10/33/19/336103319.db2.gz NLVPHVYZFGVJDU-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1O ZINC000581576023 336105175 /nfs/dbraw/zinc/10/51/75/336105175.db2.gz NTRPFUIRHOIOER-UWVGGRQHSA-N 0 3 253.306 -1.199 20 0 CAADHN NC(=O)c1ccc(CNC[C@H](O)CN2CCOCC2)cn1 ZINC000581603159 336110144 /nfs/dbraw/zinc/11/01/44/336110144.db2.gz MQBRUYHRANKXBX-LBPRGKRZSA-N 0 3 294.355 -1.037 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000383916569 336119190 /nfs/dbraw/zinc/11/91/90/336119190.db2.gz QWVXIZFPGYNJKH-SDDRHHMPSA-N 0 3 290.360 -1.466 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N1CCN(C)C[C@H]1CN ZINC000581665980 336120729 /nfs/dbraw/zinc/12/07/29/336120729.db2.gz RXFLJRGUQSQOKJ-SECBINFHSA-N 0 3 278.378 -2.021 20 0 CAADHN COCCNCCNC(=O)Cn1ncn(C)c1=O ZINC000581666360 336120839 /nfs/dbraw/zinc/12/08/39/336120839.db2.gz YDRFXMSMEDUMTM-UHFFFAOYSA-N 0 3 257.294 -2.066 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@H]1CCCN1C ZINC000581673871 336126398 /nfs/dbraw/zinc/12/63/98/336126398.db2.gz QPTOVNWJZCXUSS-QMMMGPOBSA-N 0 3 264.351 -1.749 20 0 CAADHN C[C@@H]1CN(CCN(C)C(=O)CNC(=O)CN)C[C@H](C)O1 ZINC000581724860 336137821 /nfs/dbraw/zinc/13/78/21/336137821.db2.gz DKCQNXLMJLLKJC-PHIMTYICSA-N 0 3 286.376 -1.371 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN(CC(F)(F)F)CC1 ZINC000581874877 336156357 /nfs/dbraw/zinc/15/63/57/336156357.db2.gz MVIQPUPRCBCEKX-UHFFFAOYSA-N 0 3 294.277 -1.219 20 0 CAADHN CN1C[C@H](NC[C@@H](O)CN2CCOCC2)CC1=O ZINC000385925596 336161980 /nfs/dbraw/zinc/16/19/80/336161980.db2.gz KCWZYQBLJUBHNI-GHMZBOCLSA-N 0 3 257.334 -1.500 20 0 CAADHN CC(C)[C@@H](N)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000581895857 336162411 /nfs/dbraw/zinc/16/24/11/336162411.db2.gz RIOYHDZNIDMRTB-IVZWLZJFSA-N 0 3 254.334 -1.260 20 0 CAADHN CCCN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000581937980 336172568 /nfs/dbraw/zinc/17/25/68/336172568.db2.gz PBSQPXAIZTWNMG-JTQLQIEISA-N 0 3 256.350 -1.044 20 0 CAADHN N[C@H](C(=O)NCC(=O)N1CCNCC1)C1CCC1 ZINC000581942770 336173561 /nfs/dbraw/zinc/17/35/61/336173561.db2.gz SPODUJWOHPGQCB-NSHDSACASA-N 0 3 254.334 -1.338 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CC(=O)N[C@@H](C)C1 ZINC000582012095 336191519 /nfs/dbraw/zinc/19/15/19/336191519.db2.gz WIDMFJAMOBJFSG-WDEREUQCSA-N 0 3 259.350 -1.254 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CC(=O)N[C@H](C)C1 ZINC000582012092 336191894 /nfs/dbraw/zinc/19/18/94/336191894.db2.gz WIDMFJAMOBJFSG-GHMZBOCLSA-N 0 3 259.350 -1.254 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2csnn2)CCCO1 ZINC001201089777 782100472 /nfs/dbraw/zinc/10/04/72/782100472.db2.gz SMHMVXLCORYZEA-QMMMGPOBSA-N 0 3 299.356 -1.156 20 0 CAADHN CCOC[C@H](O)CN[C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001252052418 782100809 /nfs/dbraw/zinc/10/08/09/782100809.db2.gz LUKUSGJUGLPSKV-XHNCKOQMSA-N 0 3 261.322 -1.648 20 0 CAADHN CC[C@H](NCCNC(=O)c1cccc(C(N)=O)n1)C(N)=O ZINC001152856565 782101473 /nfs/dbraw/zinc/10/14/73/782101473.db2.gz NAVHXYQJUASCOO-QMMMGPOBSA-N 0 3 293.327 -1.236 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)C(N)=O)CCCO1)C(N)=O ZINC001201293015 782101513 /nfs/dbraw/zinc/10/15/13/782101513.db2.gz JMEMKCBXRNGDLO-YUMQZZPRSA-N 0 3 272.305 -2.447 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)C(N)=O)CCCO1)C(N)=O ZINC001201293004 782101715 /nfs/dbraw/zinc/10/17/15/782101715.db2.gz JMEMKCBXRNGDLO-HTQZYQBOSA-N 0 3 272.305 -2.447 20 0 CAADHN CC[C@H](NC[C@H]1CN(C(=O)C(N)=O)CCCO1)C(N)=O ZINC001201293309 782101973 /nfs/dbraw/zinc/10/19/73/782101973.db2.gz JNVZZVHPKJHQLS-IUCAKERBSA-N 0 3 286.332 -2.057 20 0 CAADHN Cn1nnc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)n1 ZINC001201187268 782102022 /nfs/dbraw/zinc/10/20/22/782102022.db2.gz OJDSJPCOKOXGGJ-QMMMGPOBSA-N 0 3 297.319 -2.484 20 0 CAADHN CC[C@@H](NC[C@H]1CN(C(=O)C(N)=O)CCCO1)C(N)=O ZINC001201293306 782102077 /nfs/dbraw/zinc/10/20/77/782102077.db2.gz JNVZZVHPKJHQLS-DTWKUNHWSA-N 0 3 286.332 -2.057 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2cnoc2)CCCO1 ZINC001201232735 782102106 /nfs/dbraw/zinc/10/21/06/782102106.db2.gz HZZGPNFULPDBBM-NSHDSACASA-N 0 3 296.327 -1.091 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201291838 782102160 /nfs/dbraw/zinc/10/21/60/782102160.db2.gz AVWMXROAJBTEOE-RKDXNWHRSA-N 0 3 286.332 -2.187 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201291817 782102173 /nfs/dbraw/zinc/10/21/73/782102173.db2.gz AVWMXROAJBTEOE-BDAKNGLRSA-N 0 3 286.332 -2.187 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201291836 782102229 /nfs/dbraw/zinc/10/22/29/782102229.db2.gz AVWMXROAJBTEOE-IUCAKERBSA-N 0 3 286.332 -2.187 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201291886 782102237 /nfs/dbraw/zinc/10/22/37/782102237.db2.gz BJARBVNOOJUMQW-SECBINFHSA-N 0 3 286.332 -2.233 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201291834 782102290 /nfs/dbraw/zinc/10/22/90/782102290.db2.gz AVWMXROAJBTEOE-DTWKUNHWSA-N 0 3 286.332 -2.187 20 0 CAADHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](NC[C@H](O)CO)C1 ZINC001252069545 782103184 /nfs/dbraw/zinc/10/31/84/782103184.db2.gz XJMDAIPPEPSYIG-LPEHRKFASA-N 0 3 276.333 -1.091 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1CCCO[C@H](CNCCF)C1 ZINC001201270106 782103342 /nfs/dbraw/zinc/10/33/42/782103342.db2.gz XZUJDKJRRZPIKF-NXEZZACHSA-N 0 3 288.323 -1.156 20 0 CAADHN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC[C@H](O)CO)C1 ZINC001252069544 782103591 /nfs/dbraw/zinc/10/35/91/782103591.db2.gz XJMDAIPPEPSYIG-IVZWLZJFSA-N 0 3 276.333 -1.091 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1CCCO[C@@H](CNCCF)C1 ZINC001201270114 782103936 /nfs/dbraw/zinc/10/39/36/782103936.db2.gz XZUJDKJRRZPIKF-VHSXEESVSA-N 0 3 288.323 -1.156 20 0 CAADHN Cn1ncc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)n1 ZINC001201629639 782104664 /nfs/dbraw/zinc/10/46/64/782104664.db2.gz KYUQOIMCIBZCDH-SECBINFHSA-N 0 3 296.331 -1.879 20 0 CAADHN O=C(NC/C=C\CN[C@@H]1CCCNC1=O)[C@H]1CCC(=O)N1 ZINC001273901094 782104780 /nfs/dbraw/zinc/10/47/80/782104780.db2.gz NIFLXKXGPGDGKH-JLVKAVFRSA-N 0 3 294.355 -1.194 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2n[nH]cc2F)CCCO1 ZINC001201351598 782104880 /nfs/dbraw/zinc/10/48/80/782104880.db2.gz SMFXURADWJSKSZ-MRVPVSSYSA-N 0 3 299.306 -1.145 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ccncn2)CCCO1 ZINC001201678121 782104974 /nfs/dbraw/zinc/10/49/74/782104974.db2.gz GKXKUQDBKKKAGT-JTQLQIEISA-N 0 3 293.327 -1.217 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCCO1 ZINC001201412067 782105042 /nfs/dbraw/zinc/10/50/42/782105042.db2.gz VSHQVFVPTYLLJI-AEJSXWLSSA-N 0 3 298.343 -2.200 20 0 CAADHN CN1CC[C@H](NC/C=C/CNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001273901566 782105402 /nfs/dbraw/zinc/10/54/02/782105402.db2.gz RFXKHTOYRLJHCR-NTYHVHHESA-N 0 3 294.355 -1.242 20 0 CAADHN O=C(NC/C=C/CN[C@@H]1CCCNC1=O)[C@H]1CCC(=O)N1 ZINC001273901093 782105552 /nfs/dbraw/zinc/10/55/52/782105552.db2.gz NIFLXKXGPGDGKH-COUIAZAYSA-N 0 3 294.355 -1.194 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cnon2)CCCO1)C(N)=O ZINC001201688902 782106783 /nfs/dbraw/zinc/10/67/83/782106783.db2.gz ULUSZYXFSQUOES-IUCAKERBSA-N 0 3 297.315 -1.236 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cnon2)CCCO1)C(N)=O ZINC001201688903 782106876 /nfs/dbraw/zinc/10/68/76/782106876.db2.gz ULUSZYXFSQUOES-RKDXNWHRSA-N 0 3 297.315 -1.236 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2nc[nH]n2)CCCO1)C(N)=O ZINC001201659947 782107127 /nfs/dbraw/zinc/10/71/27/782107127.db2.gz VMZWKBJNZHFNLH-BDAKNGLRSA-N 0 3 296.331 -1.501 20 0 CAADHN C[C@@H]([NH2+]C[C@H]1CN(C(=O)c2nc[n-]n2)CCCO1)C(N)=O ZINC001201659947 782107141 /nfs/dbraw/zinc/10/71/41/782107141.db2.gz VMZWKBJNZHFNLH-BDAKNGLRSA-N 0 3 296.331 -1.501 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201890934 782107639 /nfs/dbraw/zinc/10/76/39/782107639.db2.gz HMQNJPXCGUIMDO-ZJUUUORDSA-N 0 3 298.343 -2.043 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cnon2)CCCO1 ZINC001201688909 782107661 /nfs/dbraw/zinc/10/76/61/782107661.db2.gz UWEPUIAWZGIWGO-QMMMGPOBSA-N 0 3 283.288 -1.624 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cn2cncn2)CCCO1 ZINC001202006662 782108527 /nfs/dbraw/zinc/10/85/27/782108527.db2.gz SYRSGQPJSGVUMG-JTQLQIEISA-N 0 3 296.331 -2.030 20 0 CAADHN Cn1cnc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)n1 ZINC001200436448 782096650 /nfs/dbraw/zinc/09/66/50/782096650.db2.gz PMYQSZAESVXJJH-SECBINFHSA-N 0 3 296.331 -1.879 20 0 CAADHN O=C(Cn1ncnn1)N1CCCO[C@H](CNCCF)C1 ZINC001200520205 782097656 /nfs/dbraw/zinc/09/76/56/782097656.db2.gz QFYPWTMQWHDMEJ-SNVBAGLBSA-N 0 3 286.311 -1.150 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cn2nccn2)CCCO1 ZINC001200596810 782097732 /nfs/dbraw/zinc/09/77/32/782097732.db2.gz GCIILMSHYHPJBA-JTQLQIEISA-N 0 3 296.331 -2.030 20 0 CAADHN O=C(c1cnc[n-]c1=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200767415 782099471 /nfs/dbraw/zinc/09/94/71/782099471.db2.gz PTBIDCNSMHTCPW-SNVBAGLBSA-N 0 3 296.327 -1.005 20 0 CAADHN CC[C@@H](NC/C=C/CNC(=O)CC(N)=O)C(N)=O ZINC001273918341 782109319 /nfs/dbraw/zinc/10/93/19/782109319.db2.gz DIXAKIVBJHMBFS-MPJRPATESA-N 0 3 256.306 -1.612 20 0 CAADHN CC[C@H](NC/C=C/CNC(=O)CC(N)=O)C(N)=O ZINC001273918342 782109345 /nfs/dbraw/zinc/10/93/45/782109345.db2.gz DIXAKIVBJHMBFS-RTMURIBGSA-N 0 3 256.306 -1.612 20 0 CAADHN CC[C@H](NC/C=C\CNC(=O)CC(N)=O)C(N)=O ZINC001273918344 782109363 /nfs/dbraw/zinc/10/93/63/782109363.db2.gz DIXAKIVBJHMBFS-VEMNSZJBSA-N 0 3 256.306 -1.612 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cnco2)CCCO1 ZINC001201096161 782100334 /nfs/dbraw/zinc/10/03/34/782100334.db2.gz GSPZAHUVNGOTCD-SECBINFHSA-N 0 3 282.300 -1.019 20 0 CAADHN Cn1ccc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)n1 ZINC001202056670 782110538 /nfs/dbraw/zinc/11/05/38/782110538.db2.gz ASKJDYFDBZASQX-JTQLQIEISA-N 0 3 295.343 -1.274 20 0 CAADHN COC(=O)CN1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001273931971 782110608 /nfs/dbraw/zinc/11/06/08/782110608.db2.gz YXUVENVEQZAVIH-UHFFFAOYSA-N 0 3 285.344 -1.366 20 0 CAADHN NC(=O)C(=O)N1CCC(NCC(=O)Nc2ccon2)CC1 ZINC001202273262 782111841 /nfs/dbraw/zinc/11/18/41/782111841.db2.gz MUHQFSPBRCIGFU-UHFFFAOYSA-N 0 3 295.299 -1.321 20 0 CAADHN CNC(=O)CCCCC(=O)NCCN[C@H]1CCNC1=O ZINC001153053663 782113481 /nfs/dbraw/zinc/11/34/81/782113481.db2.gz XCFPDTAFLLTGDN-JTQLQIEISA-N 0 3 284.360 -1.113 20 0 CAADHN COCCOCCOCCNC[C@H](O)C(=O)OC ZINC001252439297 782115282 /nfs/dbraw/zinc/11/52/82/782115282.db2.gz AUTHUXJWHRZXHR-JTQLQIEISA-N 0 3 265.306 -1.211 20 0 CAADHN C[C@@H](NCCNC(=O)CCCC(N)=O)C(=O)N(C)C ZINC001153462112 782116448 /nfs/dbraw/zinc/11/64/48/782116448.db2.gz SUOREEYKRRXSFV-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN COC(=O)[C@H](O)CN[C@H]1C[C@@H](S(C)(=O)=O)C1 ZINC001252440687 782115496 /nfs/dbraw/zinc/11/54/96/782115496.db2.gz PYKJOXSGBNGQHS-GJMOJQLCSA-N 0 3 251.304 -1.315 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn2cc[nH]c12 ZINC001149043225 782115593 /nfs/dbraw/zinc/11/55/93/782115593.db2.gz XQGSVFISBJPEFG-UHFFFAOYSA-N 0 3 264.289 -1.272 20 0 CAADHN COC(=O)[C@@H](O)CN[C@H]1C[C@@H](S(C)(=O)=O)C1 ZINC001252440689 782115651 /nfs/dbraw/zinc/11/56/51/782115651.db2.gz PYKJOXSGBNGQHS-RNJXMRFFSA-N 0 3 251.304 -1.315 20 0 CAADHN COC(=O)[C@@H](O)CNCCNC(=O)c1ccncc1 ZINC001252436922 782115739 /nfs/dbraw/zinc/11/57/39/782115739.db2.gz NAPHEGFZLZXIGD-JTQLQIEISA-N 0 3 267.285 -1.065 20 0 CAADHN O=C(Cn1ccnc1)NCCNCC(=O)N1CCOCC1 ZINC001153487771 782116858 /nfs/dbraw/zinc/11/68/58/782116858.db2.gz NUZSZNTVKVCQCX-UHFFFAOYSA-N 0 3 295.343 -1.552 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114364003 782118389 /nfs/dbraw/zinc/11/83/89/782118389.db2.gz OJQAHSKTAFCVAH-JZYVYDRUSA-N 0 3 291.373 -2.036 20 0 CAADHN CN1C[C@H](NS(=O)(=O)N2CCNCC2)CC1=O ZINC000379891028 782119303 /nfs/dbraw/zinc/11/93/03/782119303.db2.gz DZMPDPWGXYGOTM-MRVPVSSYSA-N 0 3 262.335 -2.043 20 0 CAADHN CN(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21)C1CC1 ZINC001114409438 782120228 /nfs/dbraw/zinc/12/02/28/782120228.db2.gz LDCHNAHIEHHZLJ-RSLMWUCJSA-N 0 3 280.372 -1.142 20 0 CAADHN CCC[C@H]1C(=O)NCCN1S(=O)(=O)N1CCNCC1 ZINC000923631182 782122295 /nfs/dbraw/zinc/12/22/95/782122295.db2.gz BFHQLQHFOQCKSO-JTQLQIEISA-N 0 3 290.389 -1.263 20 0 CAADHN COCCN1CCN(S(=O)(=O)C2CNC2)CC1=O ZINC000923633098 782122494 /nfs/dbraw/zinc/12/24/94/782122494.db2.gz QYPDELZMBUQOCX-UHFFFAOYSA-N 0 3 277.346 -1.921 20 0 CAADHN C[C@H](NCCNC(=O)CCc1cn(C)nn1)C(N)=O ZINC001153770840 782122569 /nfs/dbraw/zinc/12/25/69/782122569.db2.gz MYOKRZZQBZHRFX-QMMMGPOBSA-N 0 3 268.321 -1.673 20 0 CAADHN O=S(=O)(C1CNC1)N1CCN([C@@H]2CCOC2)CC1 ZINC000923631002 782123062 /nfs/dbraw/zinc/12/30/62/782123062.db2.gz FLGVNGFVKVEORK-SNVBAGLBSA-N 0 3 275.374 -1.306 20 0 CAADHN CN(C)C(=O)[C@H]1CC[C@H](CNS(=O)(=O)C2CNC2)O1 ZINC000923634156 782123149 /nfs/dbraw/zinc/12/31/49/782123149.db2.gz XDKOHDMSXVFHOJ-PSASIEDQSA-N 0 3 291.373 -1.487 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153882638 782123444 /nfs/dbraw/zinc/12/34/44/782123444.db2.gz LHEUHRYMGHNTOJ-VIFPVBQESA-N 0 3 298.343 -1.729 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NCCNCC(=O)N1CCC1 ZINC001153887094 782123486 /nfs/dbraw/zinc/12/34/86/782123486.db2.gz NXFGKYJNPQSEBN-VIFPVBQESA-N 0 3 296.327 -2.023 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153882637 782123507 /nfs/dbraw/zinc/12/35/07/782123507.db2.gz LHEUHRYMGHNTOJ-SECBINFHSA-N 0 3 298.343 -1.729 20 0 CAADHN NC(=O)CNCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153882830 782123696 /nfs/dbraw/zinc/12/36/96/782123696.db2.gz PMMUOPXRBOCWKQ-ZCFIWIBFSA-N 0 3 256.262 -2.770 20 0 CAADHN C[C@@H](C(=O)NCCN[C@H]1CCN(C)C1=O)N1CCOCC1 ZINC001153848946 782123735 /nfs/dbraw/zinc/12/37/35/782123735.db2.gz SGYQAIMEJGLLFL-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@H](CNS(=O)(=O)C2CNC2)O1 ZINC000923634159 782122975 /nfs/dbraw/zinc/12/29/75/782122975.db2.gz XDKOHDMSXVFHOJ-SCZZXKLOSA-N 0 3 291.373 -1.487 20 0 CAADHN CCC[C@H]1C(=O)NCCN1S(=O)(=O)C1CNC1 ZINC000923631247 782123033 /nfs/dbraw/zinc/12/30/33/782123033.db2.gz BWLOONJEHYRCJR-VIFPVBQESA-N 0 3 261.347 -1.112 20 0 CAADHN CCC[C@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001252806711 782124194 /nfs/dbraw/zinc/12/41/94/782124194.db2.gz AAMABJQUIQBMKP-QMMMGPOBSA-N 0 3 274.321 -2.545 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001280649926 782125983 /nfs/dbraw/zinc/12/59/83/782125983.db2.gz PLPKOZQKKCMUKN-SECBINFHSA-N 0 3 296.371 -1.081 20 0 CAADHN O=C1CCN(CCN2CCNC(=O)CC2)CCN1 ZINC000114718578 782126349 /nfs/dbraw/zinc/12/63/49/782126349.db2.gz QPYVGZRGDUQKQR-UHFFFAOYSA-N 0 3 254.334 -1.370 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)c1cnn(C)c1 ZINC001154007354 782125473 /nfs/dbraw/zinc/12/54/73/782125473.db2.gz OUDCJCQFVWLNIV-MRVPVSSYSA-N 0 3 296.331 -1.576 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@]2(CCN(C[C@@H](C)O)C2)OCC1=O ZINC001274046613 782130322 /nfs/dbraw/zinc/13/03/22/782130322.db2.gz GDZNBMXJWRQTQP-JTNHKYCSSA-N 0 3 299.371 -1.066 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852813538 582112226 /nfs/dbraw/zinc/11/22/26/582112226.db2.gz HBEJZVHKSXRBLK-ZETCQYMHSA-N 0 3 278.334 -1.855 20 0 CAADHN CN1CC[C@H](NC(=S)NCCNS(C)(=O)=O)C1 ZINC000727080134 582115088 /nfs/dbraw/zinc/11/50/88/582115088.db2.gz GJWSVXJRRYDMLZ-QMMMGPOBSA-N 0 3 280.419 -1.296 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN(C)CCO)C1 ZINC000899735126 582122307 /nfs/dbraw/zinc/12/23/07/582122307.db2.gz XPVDUFNRDYHECF-NSHDSACASA-N 0 3 259.350 -1.253 20 0 CAADHN CN(CCO)CCNC(=O)CN1CCOCC1=O ZINC000899738049 582122350 /nfs/dbraw/zinc/12/23/50/582122350.db2.gz PVZIZFXYNZJQDQ-UHFFFAOYSA-N 0 3 259.306 -2.115 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NCCN(C)CCO ZINC000899738337 582122444 /nfs/dbraw/zinc/12/24/44/582122444.db2.gz ZFTVGWBNGRGBJT-UHFFFAOYSA-N 0 3 267.351 -2.082 20 0 CAADHN CN(CCO)CCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC000899968984 582123092 /nfs/dbraw/zinc/12/30/92/582123092.db2.gz KFWVJGUSPOCULK-LBPRGKRZSA-N 0 3 257.334 -1.057 20 0 CAADHN COC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000495321797 582123721 /nfs/dbraw/zinc/12/37/21/582123721.db2.gz IUAYMPJPKPCNGZ-KWQFWETISA-N 0 3 259.306 -1.086 20 0 CAADHN CN(C)CCN1C[C@@]2(CC1=O)COCCN(CC(N)=O)C2 ZINC001274062259 782132169 /nfs/dbraw/zinc/13/21/69/782132169.db2.gz NZUNGPVPEVTQMD-AWEZNQCLSA-N 0 3 298.387 -1.416 20 0 CAADHN CON(C)C(=O)CCNC[C@H]1CC(C(N)=O)=NO1 ZINC000819253100 582131508 /nfs/dbraw/zinc/13/15/08/582131508.db2.gz MIJRBUFHTFZEDC-SSDOTTSWSA-N 0 3 258.278 -1.384 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@]2(CCN(CC(N)=O)C2)C1=O ZINC001274061173 782134181 /nfs/dbraw/zinc/13/41/81/782134181.db2.gz ARWRXGBTICVIME-RNCFNFMXSA-N 0 3 282.344 -1.340 20 0 CAADHN Cn1cnnc1CN1CC[C@]2(CCN(CC(N)=O)C2)C1=O ZINC001274062438 782134791 /nfs/dbraw/zinc/13/47/91/782134791.db2.gz XQDQZMHWZSTLBF-ZDUSSCGKSA-N 0 3 292.343 -1.275 20 0 CAADHN NC(=O)CN1CC[C@]2(CCN(C3COC3)C2=O)C1 ZINC001274062627 782134809 /nfs/dbraw/zinc/13/48/09/782134809.db2.gz ZJOMSFGDRCEJCB-LBPRGKRZSA-N 0 3 253.302 -1.205 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@]2(CCN(CC(=O)NC)C2)C1=O ZINC001274072976 782135517 /nfs/dbraw/zinc/13/55/17/782135517.db2.gz JBGQBODNKXISTI-IINYFYTJSA-N 0 3 296.371 -1.079 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)NCC[S@@](C)=O ZINC000774429068 582154657 /nfs/dbraw/zinc/15/46/57/582154657.db2.gz JHPJRSKZSDIZHR-GOSISDBHSA-N 0 3 277.390 -1.061 20 0 CAADHN CNC(=O)CNC/C=C/CNC(=O)c1cnc[nH]c1=O ZINC001274120191 782136676 /nfs/dbraw/zinc/13/66/76/782136676.db2.gz WGIGVQQCXFZASK-NSCUHMNNSA-N 0 3 279.300 -1.196 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC/C=C/CN[C@H](C)C(N)=O ZINC001274153501 782137306 /nfs/dbraw/zinc/13/73/06/782137306.db2.gz LUPACNVRDOXAHP-GKUNOOHESA-N 0 3 298.387 -1.157 20 0 CAADHN O=S(=O)(C[C@@H]1CCCO1)N1CCNCCNCC1 ZINC000923690273 782139123 /nfs/dbraw/zinc/13/91/23/782139123.db2.gz FEOBPODAFRHBBP-NSHDSACASA-N 0 3 277.390 -1.010 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@H]1CCNC1=O)C(=O)N(C)C ZINC001274263241 782142734 /nfs/dbraw/zinc/14/27/34/782142734.db2.gz ORTKLRAREWAKRQ-BXXZLRJFSA-N 0 3 296.371 -1.139 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@H]1CCNC1=O)C(=O)N(C)C ZINC001274263243 782142756 /nfs/dbraw/zinc/14/27/56/782142756.db2.gz ORTKLRAREWAKRQ-NRFYAWERSA-N 0 3 296.371 -1.139 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1C ZINC001274268536 782142782 /nfs/dbraw/zinc/14/27/82/782142782.db2.gz FZVHOIFQZJIYFQ-GXSJLCMTSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1C ZINC001274268544 782141879 /nfs/dbraw/zinc/14/18/79/782141879.db2.gz FZVHOIFQZJIYFQ-ONGXEEELSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001274262995 782141908 /nfs/dbraw/zinc/14/19/08/782141908.db2.gz LGXCJHRWKKHDQF-TUUFMJSCSA-N 0 3 281.316 -1.125 20 0 CAADHN CNC(=O)C1(C(=O)N2C[C@H](C)[C@H](NCC(N)=O)C2)CC1 ZINC001274259507 782141939 /nfs/dbraw/zinc/14/19/39/782141939.db2.gz FIOPOEMWCNEGCJ-DTWKUNHWSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1NCC(=O)N(C)C ZINC001274250661 782141953 /nfs/dbraw/zinc/14/19/53/782141953.db2.gz JEUAKVRCETYCKK-ZJUUUORDSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@@H]1CCNC1=O)C(=O)N(C)C ZINC001274263244 782142364 /nfs/dbraw/zinc/14/23/64/782142364.db2.gz ORTKLRAREWAKRQ-XXJOZFEBSA-N 0 3 296.371 -1.139 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)c1cnn(C)n1 ZINC001274439321 782146652 /nfs/dbraw/zinc/14/66/52/782146652.db2.gz SQNDAAVYQXVHTE-WBSSQXGSSA-N 0 3 280.332 -1.175 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@]1(C)CCNC1=O ZINC001274359709 782145374 /nfs/dbraw/zinc/14/53/74/782145374.db2.gz GVVYBELDNKUHDC-HSUNOJPOSA-N 0 3 296.371 -1.091 20 0 CAADHN Cn1ncc(C(=O)NC/C=C/CN[C@@H]2CCN(C)C2=O)n1 ZINC001274438795 782147011 /nfs/dbraw/zinc/14/70/11/782147011.db2.gz MOIZWJUWAIRYGE-HMDXOVGESA-N 0 3 292.343 -1.079 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C/CNC(=O)c1cnn(C)n1 ZINC001274439322 782147080 /nfs/dbraw/zinc/14/70/80/782147080.db2.gz SQNDAAVYQXVHTE-XNPJLODASA-N 0 3 280.332 -1.175 20 0 CAADHN CN(C)C(=O)CNCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001274550680 782149533 /nfs/dbraw/zinc/14/95/33/782149533.db2.gz XXTUMFZBKZTHTF-UHFFFAOYSA-N 0 3 286.332 -2.497 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)Cn1ccccc1=O)C(N)=O ZINC001274568042 782151762 /nfs/dbraw/zinc/15/17/62/782151762.db2.gz OJGQOHGYOHEOFE-BYCRGOAPSA-N 0 3 292.339 -1.016 20 0 CAADHN CN(C)CCN1CC2(CN(C[C@H](O)CO)C2)OCC1=O ZINC001274564010 782151623 /nfs/dbraw/zinc/15/16/23/782151623.db2.gz DCLRVQVXSRDPPY-NSHDSACASA-N 0 3 287.360 -2.186 20 0 CAADHN O=C1CC[C@@H]2[C@@H](CCN2C[C@H](O)CO)N1C1COC1 ZINC001274571385 782151712 /nfs/dbraw/zinc/15/17/12/782151712.db2.gz ICAKOTDIBFOFEY-QJPTWQEYSA-N 0 3 270.329 -1.196 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CCC1 ZINC000806571052 582169126 /nfs/dbraw/zinc/16/91/26/582169126.db2.gz PLRDDCXOJBRELG-ZETCQYMHSA-N 0 3 261.303 -1.374 20 0 CAADHN CCN1CCO[C@H](C(=O)NC/C=C\CN[C@H](C)C(N)=O)C1 ZINC001274598721 782153593 /nfs/dbraw/zinc/15/35/93/782153593.db2.gz DHDDLLOMXFEPES-JYYSYOFASA-N 0 3 298.387 -1.157 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001274641206 782153210 /nfs/dbraw/zinc/15/32/10/782153210.db2.gz JJCXUMQLSMQONK-ADLDAWLNSA-N 0 3 297.359 -1.335 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CNCCS(C)(=O)=O ZINC001274685811 782154694 /nfs/dbraw/zinc/15/46/94/782154694.db2.gz GAHFNKPKUPHNMI-MRVPVSSYSA-N 0 3 295.361 -1.519 20 0 CAADHN CCOCC(=O)N[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001274664461 782154715 /nfs/dbraw/zinc/15/47/15/782154715.db2.gz FJOLTZFXNVYOKV-BDAKNGLRSA-N 0 3 271.317 -1.078 20 0 CAADHN CCOCC(=O)N[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001274664465 782154752 /nfs/dbraw/zinc/15/47/52/782154752.db2.gz FJOLTZFXNVYOKV-RKDXNWHRSA-N 0 3 271.317 -1.078 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001274641209 782155358 /nfs/dbraw/zinc/15/53/58/782155358.db2.gz JJCXUMQLSMQONK-NBYFHADBSA-N 0 3 297.359 -1.335 20 0 CAADHN CON(C)C(=O)CCNCCN1C(=O)CNC1=O ZINC000819065265 582177084 /nfs/dbraw/zinc/17/70/84/582177084.db2.gz FWALYMMYTGVVGO-UHFFFAOYSA-N 0 3 258.278 -1.462 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1ccon1 ZINC001274686911 782155431 /nfs/dbraw/zinc/15/54/31/782155431.db2.gz VCQSNUGSTQSVGM-ZCFIWIBFSA-N 0 3 269.261 -1.423 20 0 CAADHN CCNS(=O)(=O)CCNCCC(=O)N(C)OC ZINC000819042892 582177087 /nfs/dbraw/zinc/17/70/87/582177087.db2.gz NQGLFLLGDLBLBM-UHFFFAOYSA-N 0 3 267.351 -1.075 20 0 CAADHN NC1(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC000818438253 582175975 /nfs/dbraw/zinc/17/59/75/582175975.db2.gz RHCJKMMRJRZYBK-UHFFFAOYSA-N 0 3 277.346 -1.744 20 0 CAADHN NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000831412758 582202136 /nfs/dbraw/zinc/20/21/36/582202136.db2.gz XJXIOIJXZJTQLP-VXNVDRBHSA-N 0 3 265.310 -1.423 20 0 CAADHN CCO[C@H](CNC(=O)c1nnn(C)n1)CN(C)C ZINC000831719619 582203259 /nfs/dbraw/zinc/20/32/59/582203259.db2.gz SRJHFTMBAUPHFQ-MRVPVSSYSA-N 0 3 256.310 -1.093 20 0 CAADHN CNC(=O)[C@H](O)CNS(=O)(=O)CCCN(C)C ZINC000867186768 582211866 /nfs/dbraw/zinc/21/18/66/582211866.db2.gz NYVWKBFVWBLZQX-MRVPVSSYSA-N 0 3 267.351 -2.036 20 0 CAADHN CCN(CC(=O)NC)C[C@H](O)CN(C)CCOC ZINC000846780627 582223452 /nfs/dbraw/zinc/22/34/52/582223452.db2.gz MYDHPVJCSNUVET-LLVKDONJSA-N 0 3 261.366 -1.007 20 0 CAADHN CN[C@@H](C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000848398105 582226478 /nfs/dbraw/zinc/22/64/78/582226478.db2.gz CRRKBQVPPPFUOS-VIFPVBQESA-N 0 3 279.362 -1.628 20 0 CAADHN COC(=O)N(C)CCNC(=O)C(=O)N(C)CCN ZINC000851692082 582229486 /nfs/dbraw/zinc/22/94/86/582229486.db2.gz VNPALRBSNBTYLQ-UHFFFAOYSA-N 0 3 260.294 -1.782 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN(C)C1=O ZINC000854465708 582234289 /nfs/dbraw/zinc/23/42/89/582234289.db2.gz UIYHVLPRCPIZAM-UWVGGRQHSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCN1CCOCC1 ZINC000854467829 582234411 /nfs/dbraw/zinc/23/44/11/582234411.db2.gz YIDMJZWDSAWCNY-NSHDSACASA-N 0 3 259.350 -1.253 20 0 CAADHN CCS(=O)(=O)CCN(CCN)C[C@@H](O)CO ZINC000852753860 582230636 /nfs/dbraw/zinc/23/06/36/582230636.db2.gz UPWHZNDSYJOUFE-SECBINFHSA-N 0 3 254.352 -1.965 20 0 CAADHN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H](N)CN(C)C ZINC000876596304 582262790 /nfs/dbraw/zinc/26/27/90/582262790.db2.gz KSHPEXOGKVRPEZ-AEJSXWLSSA-N 0 3 256.350 -1.012 20 0 CAADHN COC[C@@](C)(NC(=O)[C@@H](N)CN(C)C)C(=O)OC ZINC000876697722 582262894 /nfs/dbraw/zinc/26/28/94/582262894.db2.gz XXMYUVPSJGXTSX-GZMMTYOYSA-N 0 3 261.322 -1.430 20 0 CAADHN CCS(=O)(=O)CCNC(=O)COC1(C)CNC1 ZINC000219024979 582278894 /nfs/dbraw/zinc/27/88/94/582278894.db2.gz WISPVHUYWIBBCS-UHFFFAOYSA-N 0 3 264.347 -1.084 20 0 CAADHN CCN(CCO)CCNC(=O)NCCn1cncn1 ZINC000274708517 521104224 /nfs/dbraw/zinc/10/42/24/521104224.db2.gz ZUOADJOVXWKCIQ-UHFFFAOYSA-N 0 3 270.337 -1.109 20 0 CAADHN CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC[NH3+] ZINC000042420341 521421730 /nfs/dbraw/zinc/42/17/30/521421730.db2.gz AAERSWBLKRSECO-UHFFFAOYSA-N 0 3 262.291 -1.177 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1nccnc1N ZINC001274707627 782156813 /nfs/dbraw/zinc/15/68/13/782156813.db2.gz ABLGKYNWBJQXTK-RQJHMYQMSA-N 0 3 266.305 -1.360 20 0 CAADHN COCC[C@H](N)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000052792259 521949386 /nfs/dbraw/zinc/94/93/86/521949386.db2.gz ZWQYUFYFEPCTME-QMMMGPOBSA-N 0 3 255.278 -1.329 20 0 CAADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)N(C)CCN)CC1=O ZINC000419180079 533735263 /nfs/dbraw/zinc/73/52/63/533735263.db2.gz FLKHWRIUMKRNFG-BBBLOLIVSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000423720944 533774354 /nfs/dbraw/zinc/77/43/54/533774354.db2.gz ODPIUOJWTTXSAM-DTWKUNHWSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](C[NH3+])NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000347687122 533793266 /nfs/dbraw/zinc/79/32/66/533793266.db2.gz IPRVZJZFAGVOEU-ZETCQYMHSA-N 0 3 275.334 -1.838 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NCCOCCN(C)C)CCN1 ZINC000419775608 533813538 /nfs/dbraw/zinc/81/35/38/533813538.db2.gz KXDYFKOOABHAGL-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N[C@H](CN)C2CC2)CC(=O)N1C ZINC000420063431 533818265 /nfs/dbraw/zinc/81/82/65/533818265.db2.gz NHKUXWWFEAKGKZ-WCBMZHEXSA-N 0 3 282.344 -1.471 20 0 CAADHN COC(=O)N(C)CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000496130091 533843355 /nfs/dbraw/zinc/84/33/55/533843355.db2.gz RGMANUCEAKHERS-IUCAKERBSA-N 0 3 284.316 -1.545 20 0 CAADHN COC(=O)N(C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000495321894 533855281 /nfs/dbraw/zinc/85/52/81/533855281.db2.gz JUQPTPLMWAKNEK-LLVKDONJSA-N 0 3 259.306 -1.133 20 0 CAADHN COC(=O)N(C)CC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000495816338 533857066 /nfs/dbraw/zinc/85/70/66/533857066.db2.gz IUPQGSLNPVRXNF-VIFPVBQESA-N 0 3 288.348 -1.133 20 0 CAADHN C[C@@H](CNC(=O)C(=O)NCC(=O)N(C)C)N(C)C ZINC000445553815 533874159 /nfs/dbraw/zinc/87/41/59/533874159.db2.gz YRPAPZGIGJBUFZ-QMMMGPOBSA-N 0 3 258.322 -1.743 20 0 CAADHN COC(=O)N1CC(NC(=O)C(=O)N(C)[C@@H](C)CN)C1 ZINC000496976628 533899045 /nfs/dbraw/zinc/89/90/45/533899045.db2.gz WZYYIABPWZUTMM-ZETCQYMHSA-N 0 3 272.305 -1.641 20 0 CAADHN COC(=O)N1CC(NC(=O)C(=O)N2CCCNCC2)C1 ZINC000496296750 533898717 /nfs/dbraw/zinc/89/87/17/533898717.db2.gz WNIZPXJNLRRUAB-UHFFFAOYSA-N 0 3 284.316 -1.625 20 0 CAADHN COC(=O)N1CC(NC(=O)C(=O)NC2CNC2)C1 ZINC000497122093 533898906 /nfs/dbraw/zinc/89/89/06/533898906.db2.gz AVYJIGUWXVSIHB-UHFFFAOYSA-N 0 3 256.262 -2.359 20 0 CAADHN COC(=O)N1CC(NC(=O)C(=O)N(C)[C@H](C)CN)C1 ZINC000496976626 533899465 /nfs/dbraw/zinc/89/94/65/533899465.db2.gz WZYYIABPWZUTMM-SSDOTTSWSA-N 0 3 272.305 -1.641 20 0 CAADHN CCn1nncc1C(=O)N[C@H](C)CNCC(=O)NC ZINC001274740126 782157644 /nfs/dbraw/zinc/15/76/44/782157644.db2.gz OYHKZSIQAGOOAL-MRVPVSSYSA-N 0 3 268.321 -1.248 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCCNC1=O ZINC001274796837 782159431 /nfs/dbraw/zinc/15/94/31/782159431.db2.gz IBCOHFFDYTVNGD-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1nnc[n-]1 ZINC001274815838 782158925 /nfs/dbraw/zinc/15/89/25/782158925.db2.gz PDWLDZNCQQSWGZ-QMMMGPOBSA-N 0 3 268.321 -1.422 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCCNC1=O ZINC001274797603 782158974 /nfs/dbraw/zinc/15/89/74/782158974.db2.gz SFOUKGHDFLVPEO-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cncn1C ZINC001274830471 782159466 /nfs/dbraw/zinc/15/94/66/782159466.db2.gz ITZOLLYLGDWIEG-BDAKNGLRSA-N 0 3 293.327 -1.067 20 0 CAADHN CC[C@]1(C(=O)N[C@H](C)CNCC(N)=O)CCNC1=O ZINC001274792172 782159097 /nfs/dbraw/zinc/15/90/97/782159097.db2.gz UXQPOYZVOLCFLB-PELKAZGASA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001274887968 782159240 /nfs/dbraw/zinc/15/92/40/782159240.db2.gz FNWUGXMQKVUHSC-UVOCVTCTSA-N 0 3 267.329 -1.138 20 0 CAADHN COC(=O)N1CC(NC(=O)N2CCOC3(CNC3)C2)C1 ZINC000497179580 533908102 /nfs/dbraw/zinc/90/81/02/533908102.db2.gz SBWIBISIDBSUDL-UHFFFAOYSA-N 0 3 284.316 -1.179 20 0 CAADHN COC(=O)N1CC(NC(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000497266015 533908257 /nfs/dbraw/zinc/90/82/57/533908257.db2.gz QFHNCMIEGZPZPG-SNVBAGLBSA-N 0 3 285.348 -1.279 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNC(=O)C2)CCN1C ZINC000347977763 533909056 /nfs/dbraw/zinc/90/90/56/533909056.db2.gz OUMKAUOSPOFCNH-NXEZZACHSA-N 0 3 282.344 -1.456 20 0 CAADHN COc1cnc(C(=O)N[C@H](C)CNCC(N)=O)nc1 ZINC001274835894 782159535 /nfs/dbraw/zinc/15/95/35/782159535.db2.gz AQOHDBIGONGAEJ-SSDOTTSWSA-N 0 3 267.289 -1.322 20 0 CAADHN COC(=O)N1CC(NC[C@@H](O)CN2CCN(C)CC2)C1 ZINC000496700452 533931130 /nfs/dbraw/zinc/93/11/30/533931130.db2.gz QVNQUNIKSOURMK-GFCCVEGCSA-N 0 3 286.376 -1.365 20 0 CAADHN COC(=O)N1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC1 ZINC000496531791 533984087 /nfs/dbraw/zinc/98/40/87/533984087.db2.gz ZBUOOLZBLDKEFL-VIFPVBQESA-N 0 3 286.332 -1.297 20 0 CAADHN COC(=O)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000496659630 533984538 /nfs/dbraw/zinc/98/45/38/533984538.db2.gz LSDOONSTXBJQHA-UHFFFAOYSA-N 0 3 270.289 -2.015 20 0 CAADHN COC(=O)NC(C)(C)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000496749014 534012075 /nfs/dbraw/zinc/01/20/75/534012075.db2.gz ADLFZOODMNZILC-BDAKNGLRSA-N 0 3 298.343 -1.109 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNCCO1)CN1CCN(C)CC1 ZINC000431012289 534013131 /nfs/dbraw/zinc/01/31/31/534013131.db2.gz ABFJCIIYIHKION-STQMWFEESA-N 0 3 284.404 -1.026 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNCCO1)CN1CCN(C)CC1 ZINC000431012288 534025113 /nfs/dbraw/zinc/02/51/13/534025113.db2.gz ABFJCIIYIHKION-QWHCGFSZSA-N 0 3 284.404 -1.026 20 0 CAADHN COC(=O)NCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000495615593 534036581 /nfs/dbraw/zinc/03/65/81/534036581.db2.gz BLTNKNASGXLTQK-GFCCVEGCSA-N 0 3 271.317 -1.085 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000497085743 534041149 /nfs/dbraw/zinc/04/11/49/534041149.db2.gz VZJFEVUZLFQYHT-MRVPVSSYSA-N 0 3 274.321 -1.475 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000423720942 534049740 /nfs/dbraw/zinc/04/97/40/534049740.db2.gz ODPIUOJWTTXSAM-BDAKNGLRSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000423720949 534049759 /nfs/dbraw/zinc/04/97/59/534049759.db2.gz ODPIUOJWTTXSAM-RKDXNWHRSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000423704407 534050917 /nfs/dbraw/zinc/05/09/17/534050917.db2.gz MKDDNPMKAMOSGG-SECBINFHSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@H](CN1CCOCC1)NCc1cn(C)c(=O)n(C)c1=O ZINC000036932529 534065229 /nfs/dbraw/zinc/06/52/29/534065229.db2.gz YHSVCKLUSCBOAG-LLVKDONJSA-N 0 3 296.371 -1.106 20 0 CAADHN C[C@@H]1CCNC(=O)[C@H]1NCCN1C(=O)CNC1=O ZINC000193568980 534066977 /nfs/dbraw/zinc/06/69/77/534066977.db2.gz RNMCNBOHLBZEFZ-APPZFPTMSA-N 0 3 254.290 -1.348 20 0 CAADHN COC(=O)NCCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000495618215 534070788 /nfs/dbraw/zinc/07/07/88/534070788.db2.gz LQFRLYUBLIOFCV-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN COC(=O)NCCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000495618214 534074477 /nfs/dbraw/zinc/07/44/77/534074477.db2.gz LQFRLYUBLIOFCV-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@H](CNCCS(C)(=O)=O)NC(=O)C(C)(C)C(N)=O ZINC001274798138 782160009 /nfs/dbraw/zinc/16/00/09/782160009.db2.gz YEZDHLKREYGYSL-MRVPVSSYSA-N 0 3 293.389 -1.363 20 0 CAADHN COC(=O)NCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000496234240 534112801 /nfs/dbraw/zinc/11/28/01/534112801.db2.gz FQVMVDBZSUDQMV-DTWKUNHWSA-N 0 3 299.331 -1.704 20 0 CAADHN COC(=O)NCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000496234241 534113186 /nfs/dbraw/zinc/11/31/86/534113186.db2.gz FQVMVDBZSUDQMV-IUCAKERBSA-N 0 3 299.331 -1.704 20 0 CAADHN COC(=O)NCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000496234242 534113337 /nfs/dbraw/zinc/11/33/37/534113337.db2.gz FQVMVDBZSUDQMV-RKDXNWHRSA-N 0 3 299.331 -1.704 20 0 CAADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCNC(=O)C1 ZINC000420044144 534147723 /nfs/dbraw/zinc/14/77/23/534147723.db2.gz SOMGTUOCUDZJKC-IUCAKERBSA-N 0 3 298.343 -1.826 20 0 CAADHN COC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000495755269 534156687 /nfs/dbraw/zinc/15/66/87/534156687.db2.gz UZASZXXTSNBKRF-IUCAKERBSA-N 0 3 288.348 -1.087 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCN(C)C1=O ZINC001274888113 782160662 /nfs/dbraw/zinc/16/06/62/782160662.db2.gz ITMCBBUWUROTHE-HTQZYQBOSA-N 0 3 299.331 -2.246 20 0 CAADHN CO[C@@H](C)C(=O)NC1(CO)CCN(CCO)CC1 ZINC001274898145 782160737 /nfs/dbraw/zinc/16/07/37/782160737.db2.gz XIDGTUURJQPNEX-JTQLQIEISA-N 0 3 260.334 -1.043 20 0 CAADHN C[C@H]1CCCN1CC(=O)NCCNC(=O)[C@@H]1CCNC1=O ZINC001293038224 782160726 /nfs/dbraw/zinc/16/07/26/782160726.db2.gz AABDOIJZGBDRSM-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)C[C@H](CO)O1 ZINC000423588270 534284133 /nfs/dbraw/zinc/28/41/33/534284133.db2.gz DQDMLTMFLFHZSK-GRYCIOLGSA-N 0 3 299.371 -1.066 20 0 CAADHN C[C@@H](N)C(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 ZINC000261927090 534287124 /nfs/dbraw/zinc/28/71/24/534287124.db2.gz YKRDEPSIMFNXLE-SNVBAGLBSA-N 0 3 294.359 -1.057 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CCN1 ZINC000423693634 534290186 /nfs/dbraw/zinc/29/01/86/534290186.db2.gz FCOXBFKXYGNWAI-GRYCIOLGSA-N 0 3 280.372 -1.031 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001274901318 782160851 /nfs/dbraw/zinc/16/08/51/782160851.db2.gz XZTDSXVTEYNYPN-RKDXNWHRSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NCCOCCN(C)C)CCN1 ZINC000419775605 534292531 /nfs/dbraw/zinc/29/25/31/534292531.db2.gz KXDYFKOOABHAGL-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCNCC2=O)[C@@H](C)CN1 ZINC000237421765 534304308 /nfs/dbraw/zinc/30/43/08/534304308.db2.gz MGUBAWXAKXFRER-ZJUUUORDSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CCNC1=O ZINC001274877869 782160902 /nfs/dbraw/zinc/16/09/02/782160902.db2.gz LNSCSEDRLSYAHR-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN CN(C)CCN1CC2(CN(S(C)(=O)=O)C2)OCC1=O ZINC001274905681 782160954 /nfs/dbraw/zinc/16/09/54/782160954.db2.gz SEFLPHQSZBMOJR-UHFFFAOYSA-N 0 3 291.373 -1.579 20 0 CAADHN O=C(NCCN1CCOCC1)[C@@H]1CN2CCN1CCC2 ZINC000367147985 534339012 /nfs/dbraw/zinc/33/90/12/534339012.db2.gz ISKGOMAZPAAOLU-ZDUSSCGKSA-N 0 3 282.388 -1.175 20 0 CAADHN C[C@H]1CCCN1CC(=O)NCCNC(=O)[C@H]1CCNC1=O ZINC001293038212 782161075 /nfs/dbraw/zinc/16/10/75/782161075.db2.gz AABDOIJZGBDRSM-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)NC(=O)CCNC(=O)C[C@@H]1CSCCN1 ZINC000434864366 534382860 /nfs/dbraw/zinc/38/28/60/534382860.db2.gz IBSJKFJVJJABQI-SSDOTTSWSA-N 0 3 274.346 -1.217 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CCNC1=O ZINC001274877868 782161262 /nfs/dbraw/zinc/16/12/62/782161262.db2.gz LNSCSEDRLSYAHR-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001274907410 782161692 /nfs/dbraw/zinc/16/16/92/782161692.db2.gz XZYSVAFJRIGOMF-ZCFIWIBFSA-N 0 3 255.278 -1.681 20 0 CAADHN O=C(CCN1C[C@H](O)[C@@H](O)C1)NC(=O)NCC(F)(F)F ZINC000444705298 534418545 /nfs/dbraw/zinc/41/85/45/534418545.db2.gz LNXDOBLZZRGDGW-BQBZGAKWSA-N 0 3 299.249 -1.198 20 0 CAADHN CC(C)(N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000040924400 519292035 /nfs/dbraw/zinc/29/20/35/519292035.db2.gz HCYRGKOYUXJPTQ-UHFFFAOYSA-N 0 3 250.324 -1.929 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H](CNC(=O)CNC[C@H]2CCCO2)O1 ZINC000430844017 534434988 /nfs/dbraw/zinc/43/49/88/534434988.db2.gz HYPYPQFHXKEHSM-VWYCJHECSA-N 0 3 285.344 -1.096 20 0 CAADHN CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2C[C@H](O)CN2)C1=O ZINC000262443072 519666974 /nfs/dbraw/zinc/66/69/74/519666974.db2.gz TVDZAXXLXWTTHG-YIZRAAEISA-N 0 3 269.301 -1.639 20 0 CAADHN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[C@H](O)CN2)C1=O ZINC000262443064 519667215 /nfs/dbraw/zinc/66/72/15/519667215.db2.gz TVDZAXXLXWTTHG-CIUDSAMLSA-N 0 3 269.301 -1.639 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NCC[C@H](C)O)n1 ZINC000340021083 519699445 /nfs/dbraw/zinc/69/94/45/519699445.db2.gz ZPKJGCFCPDJSDH-VIFPVBQESA-N 0 3 284.364 -1.455 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](O)C2)n1 ZINC000340021478 519699667 /nfs/dbraw/zinc/69/96/67/519699667.db2.gz IJWMUQKMUNUASV-SECBINFHSA-N 0 3 282.348 -1.489 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NCC2(O)CCC2)n1 ZINC000340017412 519699712 /nfs/dbraw/zinc/69/97/12/519699712.db2.gz XNJUAPYFNZYYIR-UHFFFAOYSA-N 0 3 296.375 -1.311 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CC(N(C)C)C2)n1 ZINC000340018661 519700035 /nfs/dbraw/zinc/70/00/35/519700035.db2.gz ZECGOQQQHWPLMM-UHFFFAOYSA-N 0 3 295.391 -1.310 20 0 CAADHN CC(C)[C@H](N)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000236717679 519816990 /nfs/dbraw/zinc/81/69/90/519816990.db2.gz KPNHUWZGBJJDNZ-JTQLQIEISA-N 0 3 292.405 -1.598 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCNC(=O)C1 ZINC000126078207 519817132 /nfs/dbraw/zinc/81/71/32/519817132.db2.gz YTFMYKIDCDDYNK-JTQLQIEISA-N 0 3 256.306 -1.956 20 0 CAADHN CN1CC[C@H](C(=O)NC2(CO)CCN(CCO)CC2)C1=O ZINC001274923675 782162159 /nfs/dbraw/zinc/16/21/59/782162159.db2.gz JRFJMGYNJAQKSS-LLVKDONJSA-N 0 3 299.371 -1.600 20 0 CAADHN CCCNC(=O)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126111336 519877799 /nfs/dbraw/zinc/87/77/99/519877799.db2.gz GIIDUODVTOHGSO-NSHDSACASA-N 0 3 272.349 -1.272 20 0 CAADHN NC(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H]1CNCCO1 ZINC000430900292 534454382 /nfs/dbraw/zinc/45/43/82/534454382.db2.gz PGUWBFPIHDYCCH-VXGBXAGGSA-N 0 3 298.387 -1.179 20 0 CAADHN C[C@@H]1CN(CCCNC(=O)CNC(=O)CN)C[C@@H](C)O1 ZINC000262184245 534465240 /nfs/dbraw/zinc/46/52/40/534465240.db2.gz GWTZMMDQIRQENM-GHMZBOCLSA-N 0 3 286.376 -1.323 20 0 CAADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)NC)CC1 ZINC000339188813 520575061 /nfs/dbraw/zinc/57/50/61/520575061.db2.gz MIQRRAVJTFXGQM-UHFFFAOYSA-N 0 3 292.405 -1.063 20 0 CAADHN CC1(C)NC(=O)N(CCCN2CC[C@](O)(C(N)=O)C2)C1=O ZINC000336848843 520599870 /nfs/dbraw/zinc/59/98/70/520599870.db2.gz NKKGVWJFKMJZRM-CYBMUJFWSA-N 0 3 298.343 -1.371 20 0 CAADHN CC1(C)NC(=O)N(CCCN2CC[C@@](O)(C(N)=O)C2)C1=O ZINC000336848844 520600756 /nfs/dbraw/zinc/60/07/56/520600756.db2.gz NKKGVWJFKMJZRM-ZDUSSCGKSA-N 0 3 298.343 -1.371 20 0 CAADHN CC[NH+](CC)CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000264629294 520670595 /nfs/dbraw/zinc/67/05/95/520670595.db2.gz CPLOFFLVEYEBOF-UHFFFAOYSA-N 0 3 256.306 -1.004 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N1CCN2CCC1CC2 ZINC000188634903 534514699 /nfs/dbraw/zinc/51/46/99/534514699.db2.gz OOLNJPBEYVLAHU-UHFFFAOYSA-N 0 3 266.301 -1.155 20 0 CAADHN CCN(CC)S(=O)(=O)CCNC(=O)[C@H](CN)OC ZINC000353189223 520771070 /nfs/dbraw/zinc/77/10/70/520771070.db2.gz UFOOGQBPMIKNPI-VIFPVBQESA-N 0 3 281.378 -1.252 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001274951561 782162618 /nfs/dbraw/zinc/16/26/18/782162618.db2.gz LMAPFCJODSQRLX-SFYZADRCSA-N 0 3 256.306 -1.765 20 0 CAADHN CCN1CCN(CC(=O)N2CCCNCC2)C(=O)C1=O ZINC000236869932 521673365 /nfs/dbraw/zinc/67/33/65/521673365.db2.gz SCVGCJRERPNFKU-UHFFFAOYSA-N 0 3 282.344 -1.501 20 0 CAADHN CCN1CCN(CCC(=O)NC[C@@](C)(O)CO)CC1 ZINC000338620260 521678861 /nfs/dbraw/zinc/67/88/61/521678861.db2.gz IEMSYBLVSYFBBE-CYBMUJFWSA-N 0 3 273.377 -1.127 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)[C@]1(F)CCNC1 ZINC000151655833 521679669 /nfs/dbraw/zinc/67/96/69/521679669.db2.gz GVWYFOVPQKLWMR-VIFPVBQESA-N 0 3 267.326 -1.257 20 0 CAADHN CCN1CC[C@H]2OCCN(Cc3nc(N)nc(N)n3)[C@H]2C1 ZINC000339388861 521723223 /nfs/dbraw/zinc/72/32/23/521723223.db2.gz JUTLPDHAXGSVQO-VHSXEESVSA-N 0 3 293.375 -1.008 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@@]2(O)CCOC2)CC1=O ZINC000339324603 521773381 /nfs/dbraw/zinc/77/33/81/521773381.db2.gz ZOSHABZONPEOMI-RISCZKNCSA-N 0 3 299.371 -1.336 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@]2(O)CCOC2)CC1=O ZINC000339324597 521774902 /nfs/dbraw/zinc/77/49/02/521774902.db2.gz ZOSHABZONPEOMI-BXUZGUMPSA-N 0 3 299.371 -1.336 20 0 CAADHN CN(C)CCNC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000131275622 521778714 /nfs/dbraw/zinc/77/87/14/521778714.db2.gz PQRXZJYBEZMBKV-UHFFFAOYSA-N 0 3 289.361 -1.624 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000339399906 521791466 /nfs/dbraw/zinc/79/14/66/521791466.db2.gz KRVQAEUZGQPEPO-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N1CCOCC1 ZINC000339400941 521792154 /nfs/dbraw/zinc/79/21/54/521792154.db2.gz SEAOEROYQZXLEN-UHFFFAOYSA-N 0 3 273.333 -1.460 20 0 CAADHN CN(C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCOC2)CCO1 ZINC000339341031 521848894 /nfs/dbraw/zinc/84/88/94/521848894.db2.gz KIWUYFXOQJATRW-VXGBXAGGSA-N 0 3 299.371 -1.072 20 0 CAADHN CN(C)C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCOC2)CCO1 ZINC000339341023 521878809 /nfs/dbraw/zinc/87/88/09/521878809.db2.gz KIWUYFXOQJATRW-NEPJUHHUSA-N 0 3 299.371 -1.072 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CNCCO1 ZINC000091668000 534601286 /nfs/dbraw/zinc/60/12/86/534601286.db2.gz ZYIVUGIDTLTXGV-UTUOFQBUSA-N 0 3 269.345 -1.046 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1COCCN1 ZINC000252550284 534602474 /nfs/dbraw/zinc/60/24/74/534602474.db2.gz ONLJAMWXWXAIMC-QJPTWQEYSA-N 0 3 269.345 -1.046 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CNCCO1 ZINC000252566933 534602747 /nfs/dbraw/zinc/60/27/47/534602747.db2.gz ZYIVUGIDTLTXGV-QJPTWQEYSA-N 0 3 269.345 -1.046 20 0 CAADHN O=C(COC1CNC1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000430390505 534610616 /nfs/dbraw/zinc/61/06/16/534610616.db2.gz FFXQZWTUYNRPGR-QMMMGPOBSA-N 0 3 253.302 -1.146 20 0 CAADHN O=C(COC1CNC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000429737172 534610915 /nfs/dbraw/zinc/61/09/15/534610915.db2.gz RIYYSUZCPSBHDJ-LBPRGKRZSA-N 0 3 297.355 -1.175 20 0 CAADHN O=C(COC1CNC1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000430390504 534611026 /nfs/dbraw/zinc/61/10/26/534611026.db2.gz FFXQZWTUYNRPGR-MRVPVSSYSA-N 0 3 253.302 -1.146 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000339283889 522218276 /nfs/dbraw/zinc/21/82/76/522218276.db2.gz PDGDOKNERVLJPG-SECBINFHSA-N 0 3 278.378 -1.407 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN(C)CCCOC ZINC000339287546 522221589 /nfs/dbraw/zinc/22/15/89/522221589.db2.gz PWHGYDFBZFRNGL-UHFFFAOYSA-N 0 3 296.393 -1.875 20 0 CAADHN NCCNC(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC000042489557 534629663 /nfs/dbraw/zinc/62/96/63/534629663.db2.gz CDBGVVOEPQNFBZ-UHFFFAOYSA-N 0 3 254.334 -1.385 20 0 CAADHN COC[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000338680439 522414821 /nfs/dbraw/zinc/41/48/21/522414821.db2.gz FRTYYMCDNCSPCZ-MNOVXSKESA-N 0 3 287.360 -1.480 20 0 CAADHN CN(CC(C)(C)C[NH3+])C(=O)CN1CC(=O)[N-]C1=O ZINC000262583163 522547567 /nfs/dbraw/zinc/54/75/67/522547567.db2.gz RJGHKOYIXDEBLO-UHFFFAOYSA-N 0 3 256.306 -1.019 20 0 CAADHN NC[C@@H](NC(=O)C(=O)N1CC(NC(=O)C2CC2)C1)C1CC1 ZINC000420055852 534657687 /nfs/dbraw/zinc/65/76/87/534657687.db2.gz GSRUGLZNUJRYJH-LLVKDONJSA-N 0 3 294.355 -1.423 20 0 CAADHN COCC(=O)N1CCN(C(=O)[C@@H](CN)OC)CC1 ZINC000227366377 522740575 /nfs/dbraw/zinc/74/05/75/522740575.db2.gz QMQIWHRIVJKYFC-SECBINFHSA-N 0 3 259.306 -1.723 20 0 CAADHN COCC(=O)NC1CN(C[C@H](O)CN(C)C2CC2)C1 ZINC000357437015 522760763 /nfs/dbraw/zinc/76/07/63/522760763.db2.gz KEUVROJTNYBFCX-GFCCVEGCSA-N 0 3 271.361 -1.112 20 0 CAADHN COC[C@H](O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000338688731 522798554 /nfs/dbraw/zinc/79/85/54/522798554.db2.gz RXSMAYHOGISKIM-MNOVXSKESA-N 0 3 257.334 -1.500 20 0 CAADHN COC[C@H](O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000338688730 522799285 /nfs/dbraw/zinc/79/92/85/522799285.db2.gz RXSMAYHOGISKIM-GHMZBOCLSA-N 0 3 257.334 -1.500 20 0 CAADHN CN(CCN1CCOCC1)CC(=O)N1CCNCC1 ZINC000038031524 522838305 /nfs/dbraw/zinc/83/83/05/522838305.db2.gz YMCYNKGBWJSWDN-UHFFFAOYSA-N 0 3 270.377 -1.318 20 0 CAADHN CN(CCNS(C)(=O)=O)C1CCN(CCO)CC1 ZINC000337227168 522869779 /nfs/dbraw/zinc/86/97/79/522869779.db2.gz RQFFPOCRXWLPLZ-UHFFFAOYSA-N 0 3 279.406 -1.076 20 0 CAADHN Cn1c(=O)c2cc(NC(=O)[C@H]3CCN3)cnc2n(C)c1=O ZINC000444169356 534667899 /nfs/dbraw/zinc/66/78/99/534667899.db2.gz QZJVQCJMRJJROP-SECBINFHSA-N 0 3 289.295 -1.067 20 0 CAADHN COC(=O)CNC(=O)CCN(CC(N)=O)C(C)C ZINC000264642900 523186096 /nfs/dbraw/zinc/18/60/96/523186096.db2.gz VVJZXPHRNYEMLI-UHFFFAOYSA-N 0 3 259.306 -1.139 20 0 CAADHN COC(=O)CNC(=O)CCN[C@H]1C(=O)NCC[C@H]1C ZINC000282429200 523189706 /nfs/dbraw/zinc/18/97/06/523189706.db2.gz RGINWVBFFGXXNO-LDYMZIIASA-N 0 3 271.317 -1.220 20 0 CAADHN COC(=O)CNC(=O)[C@@H](C)N1CC[C@@](C)(C(N)=O)C1 ZINC000280514331 523196790 /nfs/dbraw/zinc/19/67/90/523196790.db2.gz DGBZVGXWOQSXMD-PRHODGIISA-N 0 3 271.317 -1.139 20 0 CAADHN COC(=O)CNC(=O)[C@@H](C)N1CC[C@](C)(C(N)=O)C1 ZINC000280514329 523199245 /nfs/dbraw/zinc/19/92/45/523199245.db2.gz DGBZVGXWOQSXMD-PELKAZGASA-N 0 3 271.317 -1.139 20 0 CAADHN COC(=O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000265068850 523200201 /nfs/dbraw/zinc/20/02/01/523200201.db2.gz SRWNFDQRMKUGME-VIFPVBQESA-N 0 3 271.317 -1.314 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)/C=C/CN(C)C ZINC000265631695 523339617 /nfs/dbraw/zinc/33/96/17/523339617.db2.gz JOGUHLGXICPQCF-YEZKRMTDSA-N 0 3 283.328 -1.006 20 0 CAADHN CN(Cc1cn(C)c(=O)n(C)c1=O)CC(C)(CO)CO ZINC000336835469 523491836 /nfs/dbraw/zinc/49/18/36/523491836.db2.gz UWHHOVWXDLOMTJ-UHFFFAOYSA-N 0 3 285.344 -1.493 20 0 CAADHN CC[C@](C)(O)CNc1nc(NCCO)nc(NC(C)C)n1 ZINC000340015759 523495222 /nfs/dbraw/zinc/49/52/22/523495222.db2.gz XRSYBNRXPDNGJG-ZDUSSCGKSA-N 0 3 298.391 -1.065 20 0 CAADHN CO[C@@H](CN)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000353150884 523501942 /nfs/dbraw/zinc/50/19/42/523501942.db2.gz NQDIHAGSUXTKQB-BDAKNGLRSA-N 0 3 279.362 -1.500 20 0 CAADHN COCCN(C)CCNC(=O)NC[C@@H](O)COC ZINC000338455667 523592612 /nfs/dbraw/zinc/59/26/12/523592612.db2.gz FGHLRAGKMDRPJN-SNVBAGLBSA-N 0 3 263.338 -1.129 20 0 CAADHN COCCN(C)CCNC(=O)CSCC(N)=O ZINC000339299603 523591049 /nfs/dbraw/zinc/59/10/49/523591049.db2.gz XTEYICASDOMVQF-UHFFFAOYSA-N 0 3 263.363 -1.101 20 0 CAADHN COCCN(C)CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000339245438 523598485 /nfs/dbraw/zinc/59/84/85/523598485.db2.gz FERLIPPMIZCBES-VIFPVBQESA-N 0 3 281.378 -1.382 20 0 CAADHN COCCN(C)CCNCc1cn(C)c(=O)n(C)c1=O ZINC000061375863 523607163 /nfs/dbraw/zinc/60/71/63/523607163.db2.gz BLOMXQAJNHNSBN-UHFFFAOYSA-N 0 3 284.360 -1.248 20 0 CAADHN CC[C@@](C)(O)CNc1nc(NCCO)nc(NC(C)C)n1 ZINC000340015757 523662925 /nfs/dbraw/zinc/66/29/25/523662925.db2.gz XRSYBNRXPDNGJG-CYBMUJFWSA-N 0 3 298.391 -1.065 20 0 CAADHN CN1CCC[C@H]1CNC(=O)NCCN1C(=O)CNC1=O ZINC000265095191 523849655 /nfs/dbraw/zinc/84/96/55/523849655.db2.gz RGOCELNDOFOTLG-VIFPVBQESA-N 0 3 283.332 -1.068 20 0 CAADHN COC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126155438 523881210 /nfs/dbraw/zinc/88/12/10/523881210.db2.gz DOEFANPAOSHSDZ-CBAPKCEASA-N 0 3 259.306 -1.236 20 0 CAADHN CO[C@H](CN)C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000289935569 523931963 /nfs/dbraw/zinc/93/19/63/523931963.db2.gz LEYRKPCFTYFHDT-JGVFFNPUSA-N 0 3 257.290 -1.388 20 0 CAADHN CN(C)C/C=C/C(=O)N1CCN(CC(N)=O)CC1 ZINC000265636195 524033971 /nfs/dbraw/zinc/03/39/71/524033971.db2.gz KUFYJMUCYSVSAE-ONEGZZNKSA-N 0 3 254.334 -1.266 20 0 CAADHN CC(C(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O)S(C)(=O)=O ZINC000265208721 524089197 /nfs/dbraw/zinc/08/91/97/524089197.db2.gz FGAYTEWFENVMEQ-POYBYMJQSA-N 0 3 288.325 -1.174 20 0 CAADHN C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)CN1 ZINC000237615370 524490653 /nfs/dbraw/zinc/49/06/53/524490653.db2.gz AMYPTLGLAOMCOX-UWVGGRQHSA-N 0 3 280.328 -1.244 20 0 CAADHN C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H](C)CN1 ZINC000356374920 524779196 /nfs/dbraw/zinc/77/91/96/524779196.db2.gz TYPBEAAPRCEYIV-HTQZYQBOSA-N 0 3 282.300 -1.384 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NC(C)(C)C[NH3+])c1 ZINC000262500709 534808640 /nfs/dbraw/zinc/80/86/40/534808640.db2.gz GYJDJTLFRIDGFF-UHFFFAOYSA-N 0 3 289.361 -1.448 20 0 CAADHN C[C@H](NC(=O)C(=O)N1CCNC(=O)C1)C1=CCN(C)CC1 ZINC000289523882 524879815 /nfs/dbraw/zinc/87/98/15/524879815.db2.gz HESKLCZENZQKKP-JTQLQIEISA-N 0 3 294.355 -1.289 20 0 CAADHN C[C@H]1NCCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC000262801576 525011648 /nfs/dbraw/zinc/01/16/48/525011648.db2.gz PGKFJKTYOJXHNT-ZJUUUORDSA-N 0 3 280.328 -1.244 20 0 CAADHN C[C@@H](NC(=O)C(=O)N1CCNC(=O)C1)C1=CCN(C)CC1 ZINC000289523887 525040958 /nfs/dbraw/zinc/04/09/58/525040958.db2.gz HESKLCZENZQKKP-SNVBAGLBSA-N 0 3 294.355 -1.289 20 0 CAADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000356374926 525105280 /nfs/dbraw/zinc/10/52/80/525105280.db2.gz TYPBEAAPRCEYIV-JGVFFNPUSA-N 0 3 282.300 -1.384 20 0 CAADHN C[C@H](NC(=O)[C@@H]1C[C@@H]1N)C(=O)N1CCS(=O)(=O)CC1 ZINC000331807116 525150149 /nfs/dbraw/zinc/15/01/49/525150149.db2.gz GBTSKJXYCKTUSE-YIZRAAEISA-N 0 3 289.357 -1.905 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(N)=O ZINC000266210471 525264332 /nfs/dbraw/zinc/26/43/32/525264332.db2.gz JJCRLBICJJKHLX-RKDXNWHRSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@@H](NC(N)=O)C(=O)N1CCN(CCN(C)C)CC1 ZINC000356483186 525389220 /nfs/dbraw/zinc/38/92/20/525389220.db2.gz GEFZZZULTZWYJP-SNVBAGLBSA-N 0 3 271.365 -1.251 20 0 CAADHN Cc1[nH]ncc1CN1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000091867006 534855471 /nfs/dbraw/zinc/85/54/71/534855471.db2.gz LRGDVDZCWQUFCN-JTQLQIEISA-N 0 3 263.301 -1.139 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)C1=COCCO1)C(N)=O ZINC001275065326 782163715 /nfs/dbraw/zinc/16/37/15/782163715.db2.gz SEYNWZJVRTWYOI-JGVFFNPUSA-N 0 3 257.290 -1.157 20 0 CAADHN C[C@@H]1NCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C ZINC000262730831 525552595 /nfs/dbraw/zinc/55/25/95/525552595.db2.gz BMYJWOUHGXEHKT-YUMQZZPRSA-N 0 3 282.300 -1.384 20 0 CAADHN C[C@@H]1NCCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H]1C ZINC000262801566 525552747 /nfs/dbraw/zinc/55/27/47/525552747.db2.gz PGKFJKTYOJXHNT-UWVGGRQHSA-N 0 3 280.328 -1.244 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000262801571 525686206 /nfs/dbraw/zinc/68/62/06/525686206.db2.gz PGKFJKTYOJXHNT-VHSXEESVSA-N 0 3 280.328 -1.244 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CN1C(=O)CCC1=O ZINC001275012713 782163870 /nfs/dbraw/zinc/16/38/70/782163870.db2.gz IIBVGTGCRGVFQP-BDAKNGLRSA-N 0 3 296.327 -1.882 20 0 CAADHN C[C@H](O)CN1CCN(C(=O)[C@@H]2CNCCO2)C[C@@H]1C ZINC000246263987 525758044 /nfs/dbraw/zinc/75/80/44/525758044.db2.gz LGMNDKZYDVBLJE-SRVKXCTJSA-N 0 3 271.361 -1.112 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)Cn1cnnn1 ZINC001275070899 782164032 /nfs/dbraw/zinc/16/40/32/782164032.db2.gz POIRUCLFTSTBQE-JGVFFNPUSA-N 0 3 295.303 -2.427 20 0 CAADHN CC(C)(C)OC(=O)NC[C@](C)(O)CNC[C@H](O)C(N)=O ZINC000497190369 526476049 /nfs/dbraw/zinc/47/60/49/526476049.db2.gz NODSKDJEYJMQNV-QPUJVOFHSA-N 0 3 291.348 -1.302 20 0 CAADHN CC(C)(C)OC(=O)NC[C@](C)(O)CNC[C@@H](O)C(N)=O ZINC000497190368 526476376 /nfs/dbraw/zinc/47/63/76/526476376.db2.gz NODSKDJEYJMQNV-PRHODGIISA-N 0 3 291.348 -1.302 20 0 CAADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CCNCC2)CC1 ZINC000019976976 526619547 /nfs/dbraw/zinc/61/95/47/526619547.db2.gz ISPRMPMHFGKVLT-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN1CC(=O)N(C)C1=O ZINC001274986240 782164262 /nfs/dbraw/zinc/16/42/62/782164262.db2.gz OTTOEIGCKHXZHB-MRVPVSSYSA-N 0 3 299.331 -2.279 20 0 CAADHN COCC(=O)N[C@@H](C)CNCCN(C)S(C)(=O)=O ZINC001275053089 782164218 /nfs/dbraw/zinc/16/42/18/782164218.db2.gz RXGVVUVRKOBVNS-VIFPVBQESA-N 0 3 281.378 -1.382 20 0 CAADHN CC(=O)NC1CN(C(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419979792 526705695 /nfs/dbraw/zinc/70/56/95/526705695.db2.gz QKCTYMGPPKLGMA-JTQLQIEISA-N 0 3 284.360 -1.177 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000151118974 526717765 /nfs/dbraw/zinc/71/77/65/526717765.db2.gz LOSOOSRWAYPNJC-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(C)CCN(C)C1CC1 ZINC000186766718 526717869 /nfs/dbraw/zinc/71/78/69/526717869.db2.gz GWPQZFFHXIDFDN-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(C)CCN1CCCC1 ZINC000103116385 526718545 /nfs/dbraw/zinc/71/85/45/526718545.db2.gz CQRPJWHSRJLCFG-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN1CCCCC1 ZINC000058887405 526719133 /nfs/dbraw/zinc/71/91/33/526719133.db2.gz VAZJCXFMWDGVRL-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177042293 526720891 /nfs/dbraw/zinc/72/08/91/526720891.db2.gz LCLWVRQCRXQTAL-KOLCDFICSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)NCCNC(=O)NCCOCCN(C)C ZINC000471650487 526757270 /nfs/dbraw/zinc/75/72/70/526757270.db2.gz UQJCCFTXCMZQMO-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C1=COCCO1 ZINC001275065329 782164332 /nfs/dbraw/zinc/16/43/32/782164332.db2.gz SEYNWZJVRTWYOI-YUMQZZPRSA-N 0 3 257.290 -1.157 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001275013235 782164393 /nfs/dbraw/zinc/16/43/93/782164393.db2.gz ZJDWOGCLZJAYJK-SSDOTTSWSA-N 0 3 285.304 -2.622 20 0 CAADHN NC(=O)C[C@H](N)C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000225525266 526906614 /nfs/dbraw/zinc/90/66/14/526906614.db2.gz IRVDPOKSJPMXHD-ZJUUUORDSA-N 0 3 254.334 -1.114 20 0 CAADHN C=CC(=O)NCCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000490737188 526925537 /nfs/dbraw/zinc/92/55/37/526925537.db2.gz YDQNFJRGHKSGLL-SNVBAGLBSA-N 0 3 284.360 -1.139 20 0 CAADHN Cn1cc(CNCC(C)(C)OCCO)c(=O)n(C)c1=O ZINC000336834912 527214562 /nfs/dbraw/zinc/21/45/62/527214562.db2.gz IRDBQMIWYFYIGB-UHFFFAOYSA-N 0 3 285.344 -1.039 20 0 CAADHN NS(=O)(=O)CCNC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000337052715 527293594 /nfs/dbraw/zinc/29/35/94/527293594.db2.gz SLKLMNAIWLPYSX-QMMMGPOBSA-N 0 3 276.362 -1.189 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NCC(C)(C)[NH3+])c1 ZINC000237921207 527487185 /nfs/dbraw/zinc/48/71/85/527487185.db2.gz BBKOUBYYMGXHLV-UHFFFAOYSA-N 0 3 289.361 -1.448 20 0 CAADHN CC(C)(C(N)=O)N1CCN(C(=O)COC2CNC2)CC1 ZINC000430800335 527542723 /nfs/dbraw/zinc/54/27/23/527542723.db2.gz QUVIFUCZOUNOPC-UHFFFAOYSA-N 0 3 284.360 -1.617 20 0 CAADHN CCN(C)C(=O)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000187273348 527720481 /nfs/dbraw/zinc/72/04/81/527720481.db2.gz RAYMVJFJRMOOGD-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN CCN(C)C(=O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000187273369 527721743 /nfs/dbraw/zinc/72/17/43/527721743.db2.gz RAYMVJFJRMOOGD-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN CCN1CCO[C@@H](C(=O)N(C)CC(=O)N2CCNCC2)C1 ZINC000428210488 527723761 /nfs/dbraw/zinc/72/37/61/527723761.db2.gz TXRRFDRWVGAGRI-GFCCVEGCSA-N 0 3 298.387 -1.403 20 0 CAADHN CCN1CCO[C@H](C(=O)N(C)CC(=O)N2CCNCC2)C1 ZINC000428210493 527731765 /nfs/dbraw/zinc/73/17/65/527731765.db2.gz TXRRFDRWVGAGRI-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN CC1(C)NC(=O)N(CCN(CCO)CCO)C1=O ZINC000050103320 527788409 /nfs/dbraw/zinc/78/84/09/527788409.db2.gz PXSIVGVEUCKKCL-UHFFFAOYSA-N 0 3 259.306 -1.397 20 0 CAADHN CCN(C)CCNC(=O)C(=O)NCC(=O)N(C)C ZINC000153663635 527793064 /nfs/dbraw/zinc/79/30/64/527793064.db2.gz NSTYVBRPLUAZLB-UHFFFAOYSA-N 0 3 258.322 -1.741 20 0 CAADHN CCN(C)CCNC(=O)CS(=O)(=O)N(C)C ZINC000344859843 527796243 /nfs/dbraw/zinc/79/62/43/527796243.db2.gz BBCLYIJTZDPJOG-UHFFFAOYSA-N 0 3 251.352 -1.054 20 0 CAADHN CCN(C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC000358606193 527796518 /nfs/dbraw/zinc/79/65/18/527796518.db2.gz WCAKTNSXZOPYHQ-UHFFFAOYSA-N 0 3 256.350 -1.172 20 0 CAADHN CCCN(C)CC(=O)NCCN1C(=O)CNC1=O ZINC000354918216 527817345 /nfs/dbraw/zinc/81/73/45/527817345.db2.gz LGYRSOQUOZBHFX-UHFFFAOYSA-N 0 3 256.306 -1.004 20 0 CAADHN CC(C)[C@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCO1 ZINC000420185836 527823720 /nfs/dbraw/zinc/82/37/20/527823720.db2.gz AEQBLVSBNFAEJL-NWDGAFQWSA-N 0 3 299.371 -1.026 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001275129222 782165274 /nfs/dbraw/zinc/16/52/74/782165274.db2.gz ZZTILFNUWPAOSK-XVMARJQXSA-N 0 3 259.310 -1.989 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cn(C)nn1 ZINC001275141830 782165463 /nfs/dbraw/zinc/16/54/63/782165463.db2.gz FSYUDJHYOUNXPM-BQBZGAKWSA-N 0 3 254.294 -1.603 20 0 CAADHN CCN1C[C@@H](NC(=O)N2CCOC3(CNC3)C2)CC1=O ZINC000333725271 527938858 /nfs/dbraw/zinc/93/88/58/527938858.db2.gz HAGWAZFVARMBGS-JTQLQIEISA-N 0 3 282.344 -1.009 20 0 CAADHN CC(C)OCCN1CCN(C(=O)CNC(=O)CN)CC1 ZINC000125241863 527958821 /nfs/dbraw/zinc/95/88/21/527958821.db2.gz VTSRMBHYJPGGNB-UHFFFAOYSA-N 0 3 286.376 -1.370 20 0 CAADHN CN(CCO)C[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001275087386 782165621 /nfs/dbraw/zinc/16/56/21/782165621.db2.gz MHQRYCRWNXPTKN-JTQLQIEISA-N 0 3 268.321 -1.412 20 0 CAADHN CCN(CC(N)=O)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000191816668 527976296 /nfs/dbraw/zinc/97/62/96/527976296.db2.gz KTVQTGXFTPVZLG-SNVBAGLBSA-N 0 3 284.360 -1.270 20 0 CAADHN CC(C)CN1CCN(C(=O)C(=O)N(C)CCN)CC1=O ZINC000423439886 527989180 /nfs/dbraw/zinc/98/91/80/527989180.db2.gz WQICYKHYWZRPAJ-UHFFFAOYSA-N 0 3 284.360 -1.270 20 0 CAADHN CC(C)CN1CCN(C(=O)C(=O)NCCN)CC1=O ZINC000419827725 527992002 /nfs/dbraw/zinc/99/20/02/527992002.db2.gz BSXLAXWYICYOEW-UHFFFAOYSA-N 0 3 270.333 -1.612 20 0 CAADHN CCNC(=O)CN1CCCN(C(=O)CNC)CC1 ZINC000440567764 528086023 /nfs/dbraw/zinc/08/60/23/528086023.db2.gz VRNUISRPIIQYCV-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN CCN(CC)CC(=O)NCCNS(C)(=O)=O ZINC000194545050 528088216 /nfs/dbraw/zinc/08/82/16/528088216.db2.gz FKHSBFFSXRSJON-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)N1CCNCC1 ZINC000170319303 528127618 /nfs/dbraw/zinc/12/76/18/528127618.db2.gz RKWIGCTWMVSVPH-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN CCn1nncc1C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001275142458 782165969 /nfs/dbraw/zinc/16/59/69/782165969.db2.gz VNFKPEOEGMWIET-YUMQZZPRSA-N 0 3 268.321 -1.120 20 0 CAADHN CCNC(=O)NC(=O)CN1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000424295319 528163889 /nfs/dbraw/zinc/16/38/89/528163889.db2.gz RHGDTESXDZTNDQ-WDEREUQCSA-N 0 3 294.359 -1.008 20 0 CAADHN CCN(CC)S(=O)(=O)CCNC(=O)CNC ZINC000156628758 528207429 /nfs/dbraw/zinc/20/74/29/528207429.db2.gz AVESIABFVGRXBM-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cn(C)nn1)C(N)=O ZINC001275141833 782166438 /nfs/dbraw/zinc/16/64/38/782166438.db2.gz FSYUDJHYOUNXPM-NKWVEPMBSA-N 0 3 254.294 -1.603 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001275185173 782166809 /nfs/dbraw/zinc/16/68/09/782166809.db2.gz PRSNGTXIQRNYJZ-FXQIFTODSA-N 0 3 297.315 -2.433 20 0 CAADHN CC(C)[C@@H](N)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000347496253 528495937 /nfs/dbraw/zinc/49/59/37/528495937.db2.gz DHGVSKRNSRPLGJ-LLVKDONJSA-N 0 3 296.371 -1.081 20 0 CAADHN CCN(CCNC(=O)c1cn(CC(N)=O)nn1)C1CC1 ZINC000079995980 528507246 /nfs/dbraw/zinc/50/72/46/528507246.db2.gz NODHCNSMJLUHEA-UHFFFAOYSA-N 0 3 280.332 -1.023 20 0 CAADHN CCN(CCO)CCNC(=O)CNS(=O)(=O)CC ZINC000347813009 528530885 /nfs/dbraw/zinc/53/08/85/528530885.db2.gz WEAGFYZZVFOIKU-UHFFFAOYSA-N 0 3 281.378 -1.644 20 0 CAADHN CCN(CCO)CCNC(=O)CS(=O)(=O)N(C)C ZINC000347790618 528531345 /nfs/dbraw/zinc/53/13/45/528531345.db2.gz GGPFHMNAKDEBPN-UHFFFAOYSA-N 0 3 281.378 -1.692 20 0 CAADHN CCN(CCO)CCNC(=O)C1(O)CCOCC1 ZINC000358382891 528531772 /nfs/dbraw/zinc/53/17/72/528531772.db2.gz JBRAYDZTIVAUEL-UHFFFAOYSA-N 0 3 260.334 -1.042 20 0 CAADHN CCN(CCO)CCNC(=O)CN1CCCS1(=O)=O ZINC000347793271 528532063 /nfs/dbraw/zinc/53/20/63/528532063.db2.gz NSJIAQOZRFUUSG-UHFFFAOYSA-N 0 3 293.389 -1.548 20 0 CAADHN CCN(CCO)CCNC(=O)CN1CCOCC1=O ZINC000344539496 528532616 /nfs/dbraw/zinc/53/26/16/528532616.db2.gz POGALUWMNPEEAY-UHFFFAOYSA-N 0 3 273.333 -1.724 20 0 CAADHN CCN(CCO)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000347793238 528534002 /nfs/dbraw/zinc/53/40/02/528534002.db2.gz MKSYLXAEVLXQTB-UHFFFAOYSA-N 0 3 284.316 -1.621 20 0 CAADHN CCN(CCO)CCNC(=O)NCCS(=O)(=O)NC ZINC000439832353 528537379 /nfs/dbraw/zinc/53/73/79/528537379.db2.gz LAUNILSDLAZGEN-UHFFFAOYSA-N 0 3 296.393 -1.851 20 0 CAADHN CCN(CCO)CCNC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000347286373 528542125 /nfs/dbraw/zinc/54/21/25/528542125.db2.gz GAAOMKONSPSRTC-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000347791787 528542951 /nfs/dbraw/zinc/54/29/51/528542951.db2.gz IMYJAOGCYPUCAS-SNVBAGLBSA-N 0 3 257.334 -1.105 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000347806936 528543104 /nfs/dbraw/zinc/54/31/04/528543104.db2.gz MELYYMOQAUGCNL-VIFPVBQESA-N 0 3 281.378 -1.646 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC000347808736 528543980 /nfs/dbraw/zinc/54/39/80/528543980.db2.gz OPVRWYQNIAZBRB-SNVBAGLBSA-N 0 3 257.334 -1.057 20 0 CAADHN CC(C)[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C(N)=O ZINC000219014286 528545148 /nfs/dbraw/zinc/54/51/48/528545148.db2.gz BBSVQVZMJIIZFR-VHSXEESVSA-N 0 3 272.349 -1.288 20 0 CAADHN CCN(CCO)CCNC(=O)c1ccc(=O)n(C)n1 ZINC000347793822 528548695 /nfs/dbraw/zinc/54/86/95/528548695.db2.gz BPLFUDLIBHJHGA-UHFFFAOYSA-N 0 3 268.317 -1.176 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)C(C)(C)C(N)=O)C(N)=O ZINC001275190783 782167159 /nfs/dbraw/zinc/16/71/59/782167159.db2.gz ZRTMCHGGYPMFKI-NKWVEPMBSA-N 0 3 258.322 -1.534 20 0 CAADHN CCOCCN1CCN(C(=O)C(=O)N[C@H](C)CN)CC1 ZINC000420013583 528732737 /nfs/dbraw/zinc/73/27/37/528732737.db2.gz LRCBNYDUGPMKCF-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000420115876 528796640 /nfs/dbraw/zinc/79/66/40/528796640.db2.gz FSLJIVZIILBZPG-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(C)N(C)CC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000110686052 528810268 /nfs/dbraw/zinc/81/02/68/528810268.db2.gz UUFCOPBPXFCSBJ-UHFFFAOYSA-N 0 3 278.378 -1.326 20 0 CAADHN CC(C)N(C)CC(=O)N1CCN(CC(N)=O)CC1 ZINC000171473026 528810913 /nfs/dbraw/zinc/81/09/13/528810913.db2.gz HQFYRDOOYBHOGG-UHFFFAOYSA-N 0 3 256.350 -1.044 20 0 CAADHN CCOC(=O)COCCN1CC[C@](O)(C(N)=O)C1 ZINC000336787820 528824088 /nfs/dbraw/zinc/82/40/88/528824088.db2.gz FVVWMNQZHQZTNY-LLVKDONJSA-N 0 3 260.290 -1.512 20 0 CAADHN CCOC(=O)COCCN1CC[C@@](O)(C(N)=O)C1 ZINC000336787821 528824453 /nfs/dbraw/zinc/82/44/53/528824453.db2.gz FVVWMNQZHQZTNY-NSHDSACASA-N 0 3 260.290 -1.512 20 0 CAADHN CCCC[C@H](CN)NC(=O)C(=O)N1CC(NC(C)=O)C1 ZINC000420132477 528927782 /nfs/dbraw/zinc/92/77/82/528927782.db2.gz YFUJELXGYXUJBD-SNVBAGLBSA-N 0 3 284.360 -1.033 20 0 CAADHN CCC[C@@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC ZINC000236936609 528962927 /nfs/dbraw/zinc/96/29/27/528962927.db2.gz NTGRNHDWTFUWHL-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CCC[C@@H](N)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000431066401 528963957 /nfs/dbraw/zinc/96/39/57/528963957.db2.gz SUAFCGZJQDBZKM-LLVKDONJSA-N 0 3 286.376 -1.322 20 0 CAADHN CC(C)N1C(=O)C[C@@H](NC(=O)COC2CNC2)C1=O ZINC000430070335 528975069 /nfs/dbraw/zinc/97/50/69/528975069.db2.gz KECDJDQMOLSTBQ-SECBINFHSA-N 0 3 269.301 -1.373 20 0 CAADHN CC(C)N1C(=O)C[C@H](NC(=O)COC2CNC2)C1=O ZINC000430070337 528977346 /nfs/dbraw/zinc/97/73/46/528977346.db2.gz KECDJDQMOLSTBQ-VIFPVBQESA-N 0 3 269.301 -1.373 20 0 CAADHN CCOC(=O)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000496877005 528985149 /nfs/dbraw/zinc/98/51/49/528985149.db2.gz SRWUVXZQOHLOTJ-UHFFFAOYSA-N 0 3 284.316 -1.625 20 0 CAADHN CCOC(=O)N1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000496210203 528985624 /nfs/dbraw/zinc/98/56/24/528985624.db2.gz YCMDJFOLTVRNOZ-UHFFFAOYSA-N 0 3 286.332 -1.296 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001275185174 782167632 /nfs/dbraw/zinc/16/76/32/782167632.db2.gz PRSNGTXIQRNYJZ-RNJXMRFFSA-N 0 3 297.315 -2.433 20 0 CAADHN CCOC(=O)N1CCN(S(=O)(=O)NC2CNC2)CC1 ZINC000496991448 528993829 /nfs/dbraw/zinc/99/38/29/528993829.db2.gz SGKFALKLQSJEPS-UHFFFAOYSA-N 0 3 292.361 -1.433 20 0 CAADHN CC(C)N1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC1=O ZINC000423719188 529030613 /nfs/dbraw/zinc/03/06/13/529030613.db2.gz MLTDVSQJOMPTIX-JTQLQIEISA-N 0 3 284.360 -1.129 20 0 CAADHN CCOC(=O)NCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000496134756 529030808 /nfs/dbraw/zinc/03/08/08/529030808.db2.gz ASUMQYNHQRKLKH-DTWKUNHWSA-N 0 3 284.316 -1.497 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C2CC2)C(=O)C1 ZINC000261776091 529036653 /nfs/dbraw/zinc/03/66/53/529036653.db2.gz PCSYUTLCHUZCLG-ZDUSSCGKSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCC(=O)N(C)C ZINC000126168291 529037636 /nfs/dbraw/zinc/03/76/36/529037636.db2.gz LKKRAGDKXYPJDD-NSHDSACASA-N 0 3 272.349 -1.320 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000149279648 529037790 /nfs/dbraw/zinc/03/77/90/529037790.db2.gz NAVBNXYXRYNWDB-LBPRGKRZSA-N 0 3 286.376 -1.466 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCCCNC1=O ZINC000126147993 529038528 /nfs/dbraw/zinc/03/85/28/529038528.db2.gz LTCNZLAKNYLEAT-ONGXEEELSA-N 0 3 284.360 -1.129 20 0 CAADHN CCOC(=O)NCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000496128162 529048212 /nfs/dbraw/zinc/04/82/12/529048212.db2.gz ZMMMHZJYDLRUFH-UHFFFAOYSA-N 0 3 297.319 -1.101 20 0 CAADHN CC(C)N1CC[C@@H](NC(=O)[C@H]2C[C@@H](O)CN2)C1=O ZINC000479133754 529069470 /nfs/dbraw/zinc/06/94/70/529069470.db2.gz OYBSPUHAKYLJLW-OPRDCNLKSA-N 0 3 255.318 -1.165 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C[C@@H](NC(C)=O)C(N)=O ZINC000344389917 529077738 /nfs/dbraw/zinc/07/77/38/529077738.db2.gz QCTFTXFYCPPPQZ-GHMZBOCLSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(C)[C@H](NC(=O)COC1CNC1)C(=O)N1CCOCC1 ZINC000430017539 529083982 /nfs/dbraw/zinc/08/39/82/529083982.db2.gz AKHHACCVGOYPGN-ZDUSSCGKSA-N 0 3 299.371 -1.026 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)C(=O)N[C@H](CN)C2CC2)CC1=O ZINC000419501954 529093392 /nfs/dbraw/zinc/09/33/92/529093392.db2.gz AHCYLHRSJZEUHM-WDEREUQCSA-N 0 3 296.371 -1.035 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)C(=O)N(C)[C@H](C)CN)CC1=O ZINC000419507171 529093837 /nfs/dbraw/zinc/09/38/37/529093837.db2.gz OCBWQOOWJHTYRQ-ZJUUUORDSA-N 0 3 284.360 -1.083 20 0 CAADHN CC(C)N1C[C@H](NC(=O)C(=O)N(C)[C@@H](C)CN)CC1=O ZINC000419507170 529099674 /nfs/dbraw/zinc/09/96/74/529099674.db2.gz OCBWQOOWJHTYRQ-VHSXEESVSA-N 0 3 284.360 -1.083 20 0 CAADHN CC(C)N1C[C@H](NC(=O)C(=O)N(C)CCN)CC1=O ZINC000419505023 529100058 /nfs/dbraw/zinc/10/00/58/529100058.db2.gz ILLLHSRJDQJRMY-SECBINFHSA-N 0 3 270.333 -1.471 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC000119999327 529101950 /nfs/dbraw/zinc/10/19/50/529101950.db2.gz QKGOMWBTVDHSQY-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)NCC(N)=O)CC1=O ZINC000109151669 529102284 /nfs/dbraw/zinc/10/22/84/529102284.db2.gz GSYUNIOJTWCZNL-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)NCC(N)=O)CC1=O ZINC000246007452 529102823 /nfs/dbraw/zinc/10/28/23/529102823.db2.gz GSYUNIOJTWCZNL-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C[C@@H](NC(C)=O)C(N)=O ZINC000344389923 529104284 /nfs/dbraw/zinc/10/42/84/529104284.db2.gz QCTFTXFYCPPPQZ-WDEREUQCSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC000344389921 529104439 /nfs/dbraw/zinc/10/44/39/529104439.db2.gz QCTFTXFYCPPPQZ-QWRGUYRKSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC000079337825 529106782 /nfs/dbraw/zinc/10/67/82/529106782.db2.gz RAABLFJLCYHRLP-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN CCN1CCN(C(=O)C(=O)N2CCCNCC2)CC1=O ZINC000332325934 529114014 /nfs/dbraw/zinc/11/40/14/529114014.db2.gz NAOPIVZGHNUDHL-UHFFFAOYSA-N 0 3 282.344 -1.501 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](O)C[C@@H]2C)n1 ZINC000343221750 529115499 /nfs/dbraw/zinc/11/54/99/529115499.db2.gz CVPNDHOTTKLNRG-VHSXEESVSA-N 0 3 296.375 -1.101 20 0 CAADHN CCN1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1=O ZINC000420019467 529120661 /nfs/dbraw/zinc/12/06/61/529120661.db2.gz QZIGMXYQHAARAD-QMMMGPOBSA-N 0 3 256.306 -1.860 20 0 CAADHN CCN1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)[C@@H](C)C1=O ZINC000420070702 529122021 /nfs/dbraw/zinc/12/20/21/529122021.db2.gz WZQBPNOTUNZZDU-GXSJLCMTSA-N 0 3 296.371 -1.081 20 0 CAADHN CCN1CCN(CC(=O)N(C)CCN(C)C)C(=O)C1=O ZINC000331103378 529136484 /nfs/dbraw/zinc/13/64/84/529136484.db2.gz PRGOTPJGQAHQCW-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CCN1CCN(CC(=O)N2CCN[C@@H](C)[C@@H]2C)C(=O)C1=O ZINC000262740858 529137060 /nfs/dbraw/zinc/13/70/60/529137060.db2.gz DSANEKUTHPYWMJ-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN CCN1CCN(CC(=O)N2CCN[C@@H](C)[C@H]2C)C(=O)C1=O ZINC000262740860 529137121 /nfs/dbraw/zinc/13/71/21/529137121.db2.gz DSANEKUTHPYWMJ-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN CCN1CCN(CCNC(=O)[C@@H]2COCCN2)CC1 ZINC000431003962 529145719 /nfs/dbraw/zinc/14/57/19/529145719.db2.gz DSPULNHHMBIPLW-LBPRGKRZSA-N 0 3 270.377 -1.272 20 0 CAADHN CCN1CCN(CCNC(=O)[C@@H]2CNCCO2)CC1 ZINC000446375812 529145748 /nfs/dbraw/zinc/14/57/48/529145748.db2.gz DIWDTJYFFKQANR-LBPRGKRZSA-N 0 3 270.377 -1.272 20 0 CAADHN CCN1CCN(CCNC(=O)[C@H]2COCCN2)CC1 ZINC000431003959 529145964 /nfs/dbraw/zinc/14/59/64/529145964.db2.gz DSPULNHHMBIPLW-GFCCVEGCSA-N 0 3 270.377 -1.272 20 0 CAADHN CCN1CCN(CCNS(=O)(=O)NC)CC1 ZINC000352143433 529146214 /nfs/dbraw/zinc/14/62/14/529146214.db2.gz QIPLIBWQSPYIPQ-UHFFFAOYSA-N 0 3 250.368 -1.322 20 0 CAADHN CCN1CCN(CCNS(=O)(=O)C2COC2)CC1 ZINC000333445236 529146217 /nfs/dbraw/zinc/14/62/17/529146217.db2.gz MNNOJINGZHXVRG-UHFFFAOYSA-N 0 3 277.390 -1.058 20 0 CAADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N(C)CCN ZINC000423449715 529188402 /nfs/dbraw/zinc/18/84/02/529188402.db2.gz GRUHPYRTURLYFM-JTQLQIEISA-N 0 3 284.360 -1.127 20 0 CAADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N[C@H](C)CN ZINC000420016648 529188713 /nfs/dbraw/zinc/18/87/13/529188713.db2.gz SSHRFGGLNSRGHP-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420032010 529188758 /nfs/dbraw/zinc/18/87/58/529188758.db2.gz SSHRFGGLNSRGHP-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](O)CNc1nc(NC)nc(NC[C@H](O)CC)n1 ZINC000420633512 529230051 /nfs/dbraw/zinc/23/00/51/529230051.db2.gz YPMUPBJDRHRMDE-RKDXNWHRSA-N 0 3 284.364 -1.455 20 0 CAADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N[C@H](C)CN ZINC000420016647 529261942 /nfs/dbraw/zinc/26/19/42/529261942.db2.gz SSHRFGGLNSRGHP-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@H]1CN(C(=O)[C@@H](N)CC(N)=O)CCN1CCOC ZINC000353702959 529278088 /nfs/dbraw/zinc/27/80/88/529278088.db2.gz KPXISBKFSZVIEE-QWRGUYRKSA-N 0 3 286.376 -1.242 20 0 CAADHN CC[C@@H]1CN(C(=O)C(=O)NCCNCCOC)CCO1 ZINC000420189522 529357394 /nfs/dbraw/zinc/35/73/94/529357394.db2.gz UWGCHEXQYDTQCB-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN O=C(NC[C@@H]1CN2CCN1CCC2)[C@@H]1CNCCO1 ZINC000394388938 545498322 /nfs/dbraw/zinc/49/83/22/545498322.db2.gz NRHBYZPUXJONOH-NEPJUHHUSA-N 0 3 268.361 -1.519 20 0 CAADHN O=C(C[C@H]1CNCCO1)NC[C@H]1CN2CCN1CCC2 ZINC000394384412 545498388 /nfs/dbraw/zinc/49/83/88/545498388.db2.gz JFEZCQBGOIUGMG-STQMWFEESA-N 0 3 282.388 -1.129 20 0 CAADHN Cn1cc(OCC(=O)NC[C@@]2(O)CCN(C)C2)cn1 ZINC000669717638 545497297 /nfs/dbraw/zinc/49/72/97/545497297.db2.gz WMCLPILGDOYLMI-LBPRGKRZSA-N 0 3 268.317 -1.018 20 0 CAADHN CN1CCC[C@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC000668329990 545497700 /nfs/dbraw/zinc/49/77/00/545497700.db2.gz IUPUCHIQAGFUMG-IRCOFANPSA-N 0 3 270.329 -1.390 20 0 CAADHN O=C(C[C@@H]1CNCCO1)NC[C@H]1CN2CCN1CCC2 ZINC000394384411 545498438 /nfs/dbraw/zinc/49/84/38/545498438.db2.gz JFEZCQBGOIUGMG-QWHCGFSZSA-N 0 3 282.388 -1.129 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668328095 545497923 /nfs/dbraw/zinc/49/79/23/545497923.db2.gz NFFHWBPUURSZNH-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN COCCN(CCN(C)C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000668309977 545497938 /nfs/dbraw/zinc/49/79/38/545497938.db2.gz JLUGNRHQYQUCNZ-VIFPVBQESA-N 0 3 286.332 -1.379 20 0 CAADHN COCCNCC(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000394371542 545498187 /nfs/dbraw/zinc/49/81/87/545498187.db2.gz DXGLOZJPNDWCPD-GFCCVEGCSA-N 0 3 270.377 -1.272 20 0 CAADHN O=C(C[C@H]1COCCN1)NC[C@@H]1CN2CCN1CCC2 ZINC000394391813 545498682 /nfs/dbraw/zinc/49/86/82/545498682.db2.gz MBUNFQDMCVQUFD-QWHCGFSZSA-N 0 3 282.388 -1.129 20 0 CAADHN CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@@H]1CN2CCC1CC2 ZINC000668589050 545503218 /nfs/dbraw/zinc/50/32/18/545503218.db2.gz WRVKDHZHCSCDMP-AAVRWANBSA-N 0 3 296.367 -1.048 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC000668435704 545499249 /nfs/dbraw/zinc/49/92/49/545499249.db2.gz MCSKFBFJJOVXRP-NXEZZACHSA-N 0 3 255.318 -1.041 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC000668435707 545499501 /nfs/dbraw/zinc/49/95/01/545499501.db2.gz MCSKFBFJJOVXRP-ZJUUUORDSA-N 0 3 255.318 -1.041 20 0 CAADHN CC(=O)NCCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650559430 545500943 /nfs/dbraw/zinc/50/09/43/545500943.db2.gz VHPOVRBDQGFQMX-UHFFFAOYSA-N 0 3 299.375 -1.462 20 0 CAADHN CCS(=O)(=O)NCCS(=O)(=O)NCCNC1CC1 ZINC000647210078 545501128 /nfs/dbraw/zinc/50/11/28/545501128.db2.gz JQFIXDOCVDGAKV-UHFFFAOYSA-N 0 3 299.418 -1.403 20 0 CAADHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N1 ZINC000668538056 545501354 /nfs/dbraw/zinc/50/13/54/545501354.db2.gz UBJQFSDQUXBOCK-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CCO[C@@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)C[C@H]1C[NH3+] ZINC000653246678 545503907 /nfs/dbraw/zinc/50/39/07/545503907.db2.gz VSCKKPQHZCTQNS-RKDXNWHRSA-N 0 3 284.316 -1.640 20 0 CAADHN Cc1nn(CC(=O)NC[C@@](C)(O)CCN(C)C)c(=O)n1C ZINC000655392918 545503986 /nfs/dbraw/zinc/50/39/86/545503986.db2.gz DCMXSAIMEAEDDT-ZDUSSCGKSA-N 0 3 299.375 -1.291 20 0 CAADHN CC1(OCC(=O)NCCNC(=O)c2ccn[nH]2)CNC1 ZINC000648170792 545504111 /nfs/dbraw/zinc/50/41/11/545504111.db2.gz XYJZLVYVVFWTFG-UHFFFAOYSA-N 0 3 281.316 -1.366 20 0 CAADHN CN[C@@H](C)C(=O)NCCCN(C)S(C)(=O)=O ZINC000655426002 545504838 /nfs/dbraw/zinc/50/48/38/545504838.db2.gz BRNMFZAXUMEAOJ-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668624565 545504846 /nfs/dbraw/zinc/50/48/46/545504846.db2.gz QSKLIWJEBJRPDB-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN Cc1nn(CC(=O)N2CCN(C)C[C@H]2CN)c(=O)n1C ZINC000655418880 545505064 /nfs/dbraw/zinc/50/50/64/545505064.db2.gz FTUKTGISIJYJOJ-SNVBAGLBSA-N 0 3 282.348 -2.008 20 0 CAADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668624567 545505199 /nfs/dbraw/zinc/50/51/99/545505199.db2.gz QSKLIWJEBJRPDB-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N1)CN1CCN(C)CC1 ZINC000668684691 545508474 /nfs/dbraw/zinc/50/84/74/545508474.db2.gz QSFGGSMMKOPSEL-QWRGUYRKSA-N 0 3 268.361 -1.125 20 0 CAADHN CCN1CCN(CCNC(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000668675455 545507282 /nfs/dbraw/zinc/50/72/82/545507282.db2.gz CFOCOZIDURCEGS-LLVKDONJSA-N 0 3 283.376 -1.236 20 0 CAADHN O=S(=O)(NC[C@@H]1C[C@H](F)CN1)N1CCOCC1 ZINC000647303970 545508521 /nfs/dbraw/zinc/50/85/21/545508521.db2.gz RNXLGYOKGSGCFY-IUCAKERBSA-N 0 3 267.326 -1.147 20 0 CAADHN CCN(C)CCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O ZINC000359420064 545507933 /nfs/dbraw/zinc/50/79/33/545507933.db2.gz DKVQYWNHLLEYBX-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN CC[C@H](C)N(C)CCNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668777104 545510725 /nfs/dbraw/zinc/51/07/25/545510725.db2.gz RIKFZDOMPTWBAD-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCNC1=O ZINC000668824028 545512034 /nfs/dbraw/zinc/51/20/34/545512034.db2.gz DQVMYSBWSAYALC-MNOVXSKESA-N 0 3 294.355 -1.408 20 0 CAADHN C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)N1CCCC1 ZINC000651263422 545515784 /nfs/dbraw/zinc/51/57/84/545515784.db2.gz PVVSJEULZFACPG-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN CN(C)[C@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000651236722 545515809 /nfs/dbraw/zinc/51/58/09/545515809.db2.gz PHSJMPFERKHPDU-VIFPVBQESA-N 0 3 280.332 -1.070 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)N1CCCC1 ZINC000651263423 545516038 /nfs/dbraw/zinc/51/60/38/545516038.db2.gz PVVSJEULZFACPG-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN CN(C)C[C@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000651236043 545516158 /nfs/dbraw/zinc/51/61/58/545516158.db2.gz SMOYLKCSDXAZTK-SECBINFHSA-N 0 3 280.332 -1.070 20 0 CAADHN CN(C)[C@@H]1CCCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000651236721 545516371 /nfs/dbraw/zinc/51/63/71/545516371.db2.gz PHSJMPFERKHPDU-SECBINFHSA-N 0 3 280.332 -1.070 20 0 CAADHN CCN(CCNC(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC000651248084 545516605 /nfs/dbraw/zinc/51/66/05/545516605.db2.gz KCYDVIKTZMCABM-UHFFFAOYSA-N 0 3 280.332 -1.023 20 0 CAADHN COCCN(CCN(C)C)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651264440 545517218 /nfs/dbraw/zinc/51/72/18/545517218.db2.gz ZPFIRFSQUWDBLL-UHFFFAOYSA-N 0 3 298.347 -1.586 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CCNC1=O ZINC001275267742 782168788 /nfs/dbraw/zinc/16/87/88/782168788.db2.gz UTMHNKBDUQMLEC-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN OCCN(CCN1CCOCC1)CCN1CCOCC1 ZINC000086168786 545517431 /nfs/dbraw/zinc/51/74/31/545517431.db2.gz MHLNBMQTWJSBDS-UHFFFAOYSA-N 0 3 287.404 -1.055 20 0 CAADHN CN(C)S(=O)(=O)N(C)CC(=O)N[C@H]1CCCN(C)C1 ZINC000651265173 545517619 /nfs/dbraw/zinc/51/76/19/545517619.db2.gz HWQSBLOLVWZONW-JTQLQIEISA-N 0 3 292.405 -1.065 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)NC1CC1 ZINC000647673139 545513414 /nfs/dbraw/zinc/51/34/14/545513414.db2.gz COAXXLCWPBHEEV-VIFPVBQESA-N 0 3 282.344 -1.157 20 0 CAADHN Cc1nn(CC(=O)NC[C@H]2CNCCO2)c(=O)n1C ZINC000655478186 545513664 /nfs/dbraw/zinc/51/36/64/545513664.db2.gz PGSNBZZFVSAXKU-SECBINFHSA-N 0 3 269.305 -2.005 20 0 CAADHN C[C@@H]1CCN(C)CCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000603351240 545519645 /nfs/dbraw/zinc/51/96/45/545519645.db2.gz BURJKPFXFLNMPU-SECBINFHSA-N 0 3 296.327 -1.040 20 0 CAADHN C[C@H]1CCN(C)CCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000603351248 545520025 /nfs/dbraw/zinc/52/00/25/545520025.db2.gz BURJKPFXFLNMPU-VIFPVBQESA-N 0 3 296.327 -1.040 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)[C@]1(CO)CCOC1 ZINC000329684401 545520355 /nfs/dbraw/zinc/52/03/55/545520355.db2.gz YCHUODAFTVHWRI-STQMWFEESA-N 0 3 274.361 -1.237 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000669178620 545520468 /nfs/dbraw/zinc/52/04/68/545520468.db2.gz HFWVAWUTLLIPAH-JTQLQIEISA-N 0 3 292.405 -1.065 20 0 CAADHN COC(=O)CNC(=O)CCN(C)CCNC(=O)N(C)C ZINC000355071290 545521127 /nfs/dbraw/zinc/52/11/27/545521127.db2.gz QCBGMIVRXUHXSJ-UHFFFAOYSA-N 0 3 288.348 -1.131 20 0 CAADHN C[C@H]1C[C@H](NC(=O)CNS(=O)(=O)N(C)C)CCN1C ZINC000669183090 545522251 /nfs/dbraw/zinc/52/22/51/545522251.db2.gz NZWSTVPZXKHKAF-VHSXEESVSA-N 0 3 292.405 -1.019 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)NCC(=O)N(C)C ZINC000337377297 545523248 /nfs/dbraw/zinc/52/32/48/545523248.db2.gz BBAAONKOQQPHFL-NSHDSACASA-N 0 3 260.338 -1.314 20 0 CAADHN CN1CCC[C@@H](NC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627476001 545526490 /nfs/dbraw/zinc/52/64/90/545526490.db2.gz YEDAKIGTAUBQFA-MNOVXSKESA-N 0 3 284.360 -1.699 20 0 CAADHN CCN1C[C@@H](CNC(=O)C(=O)N[C@H](CN)C2CC2)CC1=O ZINC000652700268 545526617 /nfs/dbraw/zinc/52/66/17/545526617.db2.gz OEZPQIYFPSGODC-MWLCHTKSSA-N 0 3 296.371 -1.176 20 0 CAADHN COc1nn(C)cc1C(=O)N[C@@H](C)CNCC(N)=O ZINC001275257911 782168809 /nfs/dbraw/zinc/16/88/09/782168809.db2.gz CYLLNCFLPFKHSH-ZETCQYMHSA-N 0 3 269.305 -1.378 20 0 CAADHN CN(C)[C@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC000647940542 545529868 /nfs/dbraw/zinc/52/98/68/545529868.db2.gz GKEMGGLBNKWFRK-UWVGGRQHSA-N 0 3 284.360 -1.077 20 0 CAADHN CCN(CCC(=O)NCC(=O)OC)[C@H]1CCNC1=O ZINC000282290880 545529972 /nfs/dbraw/zinc/52/99/72/545529972.db2.gz IZLKJJCVDDKCEZ-VIFPVBQESA-N 0 3 271.317 -1.124 20 0 CAADHN CCN1CC[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC000329511765 545529997 /nfs/dbraw/zinc/52/99/97/545529997.db2.gz CDQGGPKJIOTRGR-WDEREUQCSA-N 0 3 280.332 -1.005 20 0 CAADHN CN(CCN1CCOCC1)C(=O)CN1CCNCC1 ZINC000076407823 545530662 /nfs/dbraw/zinc/53/06/62/545530662.db2.gz XNZKAHIJKMLPCF-UHFFFAOYSA-N 0 3 270.377 -1.318 20 0 CAADHN CNC(=O)NCCC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652733655 545530677 /nfs/dbraw/zinc/53/06/77/545530677.db2.gz MSMTWBGMBWXYKN-UHFFFAOYSA-N 0 3 299.375 -1.462 20 0 CAADHN CN(C)C[C@H]1CCCN1C(=O)CNS(=O)(=O)N(C)C ZINC000668012609 545530687 /nfs/dbraw/zinc/53/06/87/545530687.db2.gz GFRRNUSEPSJUMR-SNVBAGLBSA-N 0 3 292.405 -1.065 20 0 CAADHN CN(C)CCN1CCN(C(=O)C(C)(C)C(N)=O)CC1=O ZINC000652734308 545530806 /nfs/dbraw/zinc/53/08/06/545530806.db2.gz FCGBMCWMQKGXIW-UHFFFAOYSA-N 0 3 284.360 -1.270 20 0 CAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N1 ZINC000667893632 545530828 /nfs/dbraw/zinc/53/08/28/545530828.db2.gz UWVYLWNLXZUIIF-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652733970 545531069 /nfs/dbraw/zinc/53/10/69/545531069.db2.gz VXIAJZUSLBKELF-JTQLQIEISA-N 0 3 284.360 -1.270 20 0 CAADHN C[C@H](CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N(C)C1CC1 ZINC000668095965 545531568 /nfs/dbraw/zinc/53/15/68/545531568.db2.gz VIOMYPGDTLODOG-HUXSOILUSA-N 0 3 284.356 -1.002 20 0 CAADHN CN(C)C(=O)CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000647994558 545534807 /nfs/dbraw/zinc/53/48/07/545534807.db2.gz QDFRJZPYYVMQAR-UWVGGRQHSA-N 0 3 272.349 -1.219 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)CCN ZINC000659563945 545531766 /nfs/dbraw/zinc/53/17/66/545531766.db2.gz DSRCUARDIHRKGN-YUMQZZPRSA-N 0 3 265.335 -1.602 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCCNCC1 ZINC000659565983 545532004 /nfs/dbraw/zinc/53/20/04/545532004.db2.gz WNCXVEJZQHUQHJ-VHSXEESVSA-N 0 3 291.373 -1.197 20 0 CAADHN CC(C(=O)N[C@@H](CO)CN(C)C)S(C)(=O)=O ZINC000673520648 545532028 /nfs/dbraw/zinc/53/20/28/545532028.db2.gz FZXBHLXHSWILFI-JGVFFNPUSA-N 0 3 252.336 -1.542 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000673519765 545532095 /nfs/dbraw/zinc/53/20/95/545532095.db2.gz AZBYMXAUGQASMT-QMMMGPOBSA-N 0 3 270.289 -2.012 20 0 CAADHN CC(C(=O)N[C@H](CO)CN(C)C)S(C)(=O)=O ZINC000673520649 545532264 /nfs/dbraw/zinc/53/22/64/545532264.db2.gz FZXBHLXHSWILFI-SFYZADRCSA-N 0 3 252.336 -1.542 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CCC(=O)N(C)C2)C[C@@H]1O ZINC000647995658 545534497 /nfs/dbraw/zinc/53/44/97/545534497.db2.gz RNTJKEJKWOQCSJ-DCAQKATOSA-N 0 3 284.360 -1.077 20 0 CAADHN CC(C)[C@H]1CN(C(=O)CN2CCNCC2=O)CCN1 ZINC000669514526 545535317 /nfs/dbraw/zinc/53/53/17/545535317.db2.gz KXXNRJCXOIWYDV-LLVKDONJSA-N 0 3 268.361 -1.125 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC(=O)N1 ZINC000332621774 545535799 /nfs/dbraw/zinc/53/57/99/545535799.db2.gz NXVVAVFQXMAZLS-GHMZBOCLSA-N 0 3 294.355 -1.360 20 0 CAADHN CCN1CCN(CCNC(=O)Cn2ncn(C)c2=O)CC1 ZINC000352436749 545536702 /nfs/dbraw/zinc/53/67/02/545536702.db2.gz JYURGECFIOEFQR-UHFFFAOYSA-N 0 3 296.375 -1.665 20 0 CAADHN CN(CCCN(C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352792187 545537238 /nfs/dbraw/zinc/53/72/38/545537238.db2.gz LFDXMQCTWJRKMZ-LPWJVIDDSA-N 0 3 274.361 -1.241 20 0 CAADHN CC(=O)NC[C@@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000648083967 545537732 /nfs/dbraw/zinc/53/77/32/545537732.db2.gz MLCSFFCWKURLFT-LLVKDONJSA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)[C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000232281810 545537902 /nfs/dbraw/zinc/53/79/02/545537902.db2.gz SJUFBULKPQHVBG-LLVKDONJSA-N 0 3 268.361 -1.124 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)C2(N)CC2)CC1 ZINC000088130344 545539591 /nfs/dbraw/zinc/53/95/91/545539591.db2.gz QECCGQCPHXFKMN-UHFFFAOYSA-N 0 3 254.334 -1.290 20 0 CAADHN NC(=O)[C@@H]1CN(CCO[C@H]2CC2(F)F)C[C@H]1C(N)=O ZINC000639846330 545541025 /nfs/dbraw/zinc/54/10/25/545541025.db2.gz OUIRLFFAJIONFE-PRJMDXOYSA-N 0 3 277.271 -1.071 20 0 CAADHN NC(=O)[C@@H]1CN(CCO[C@@H]2CC2(F)F)C[C@H]1C(N)=O ZINC000639846328 545541198 /nfs/dbraw/zinc/54/11/98/545541198.db2.gz OUIRLFFAJIONFE-BWZBUEFSSA-N 0 3 277.271 -1.071 20 0 CAADHN CCN(CCNC(=O)C(=O)N1CCNC(=O)[C@@H]1C)C1CC1 ZINC000359274708 545542119 /nfs/dbraw/zinc/54/21/19/545542119.db2.gz FLHRZZPTZNHYCE-JTQLQIEISA-N 0 3 296.371 -1.066 20 0 CAADHN CC(C(=O)NC1CC(NS(C)(=O)=O)C1)S(C)(=O)=O ZINC000669920408 545555684 /nfs/dbraw/zinc/55/56/84/545555684.db2.gz OCJULZVAZAAPEU-JECWYVHBSA-N 0 3 298.386 -1.384 20 0 CAADHN CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000659713149 545544567 /nfs/dbraw/zinc/54/45/67/545544567.db2.gz CEIJZAVJGXICGN-JTQLQIEISA-N 0 3 297.359 -1.711 20 0 CAADHN NCCNC(=O)C(=O)N(CCN1CCOCC1)CC1CC1 ZINC000659710758 545544614 /nfs/dbraw/zinc/54/46/14/545544614.db2.gz UGQKMJHJYNUUDB-UHFFFAOYSA-N 0 3 298.387 -1.368 20 0 CAADHN O=C(NCCNc1ccncc1)[C@H]1CCS(=O)(=O)N1 ZINC000653017037 545545662 /nfs/dbraw/zinc/54/56/62/545545662.db2.gz HCIPCTPTCRCUHD-SNVBAGLBSA-N 0 3 284.341 -1.277 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000653019336 545545675 /nfs/dbraw/zinc/54/56/75/545545675.db2.gz ZOLZABKZPHADHM-SNVBAGLBSA-N 0 3 290.389 -1.359 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCN(C)C1 ZINC000653017031 545545803 /nfs/dbraw/zinc/54/58/03/545545803.db2.gz GMJMWXOUBCUVNR-MRVPVSSYSA-N 0 3 264.351 -1.749 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@H](C)N(C)C ZINC000653016345 545545880 /nfs/dbraw/zinc/54/58/80/545545880.db2.gz FKSXXRSYRCDQBK-SSDOTTSWSA-N 0 3 252.340 -1.894 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@@H](CN2CCCC2=O)C1 ZINC000659714488 545546737 /nfs/dbraw/zinc/54/67/37/545546737.db2.gz MDZDWJABXXKABG-JTQLQIEISA-N 0 3 294.355 -1.455 20 0 CAADHN CNC(=O)C(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000671149125 545547471 /nfs/dbraw/zinc/54/74/71/545547471.db2.gz ISXOESILXALCAF-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN COCCN(C)CCNC(=O)NC[C@@H](C)S(N)(=O)=O ZINC000669646685 545548001 /nfs/dbraw/zinc/54/80/01/545548001.db2.gz YHYJCHRGHZAZKY-SECBINFHSA-N 0 3 296.393 -1.459 20 0 CAADHN CCN(CC)C[C@H](C)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000343018283 545548236 /nfs/dbraw/zinc/54/82/36/545548236.db2.gz VWTKUVGIBXFMHE-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CC(C)(CNC(=O)C[C@@H]1CNCCO1)NS(C)(=O)=O ZINC000091312418 545548385 /nfs/dbraw/zinc/54/83/85/545548385.db2.gz XUIPMGHDHQUYCT-SECBINFHSA-N 0 3 293.389 -1.191 20 0 CAADHN CN(C)S(=O)(=O)N1CCN(C(=O)C2(N)CCC2)CC1 ZINC000147897598 545548513 /nfs/dbraw/zinc/54/85/13/545548513.db2.gz XLXNGEUQSSABMA-UHFFFAOYSA-N 0 3 290.389 -1.182 20 0 CAADHN COCCNCC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000092495864 545548566 /nfs/dbraw/zinc/54/85/66/545548566.db2.gz LHTSVVUYCIAJTO-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CN1CCO[C@@H](CNC(=O)CN2CCNCC2)C1 ZINC000091669448 545548633 /nfs/dbraw/zinc/54/86/33/545548633.db2.gz QNFMGPOJZUONDI-NSHDSACASA-N 0 3 256.350 -1.662 20 0 CAADHN CC(C)(CNC(=O)CN1CCNCC1)S(C)(=O)=O ZINC000093526095 545549333 /nfs/dbraw/zinc/54/93/33/545549333.db2.gz BTMGXPMWOVNMSZ-UHFFFAOYSA-N 0 3 277.390 -1.169 20 0 CAADHN CN1CCN(C(=O)CN2CCNCC2)C(C)(C)C1=O ZINC000094866163 545549715 /nfs/dbraw/zinc/54/97/15/545549715.db2.gz YPNCYDOXEOEIPB-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN C[C@@H](CS(C)(=O)=O)NC(=O)COC1(C)CNC1 ZINC000098061404 545550311 /nfs/dbraw/zinc/55/03/11/545550311.db2.gz SQWUMSDDAJRNHT-QMMMGPOBSA-N 0 3 264.347 -1.086 20 0 CAADHN CC1(OCC(=O)NCCNS(C)(=O)=O)CNC1 ZINC000098060718 545550463 /nfs/dbraw/zinc/55/04/63/545550463.db2.gz ANUNCCFLILGSBE-UHFFFAOYSA-N 0 3 265.335 -1.970 20 0 CAADHN CC1(OCC(=O)N2CCN(S(C)(=O)=O)CC2)CNC1 ZINC000098060618 545550726 /nfs/dbraw/zinc/55/07/26/545550726.db2.gz JAHIXXKFMDQVOR-UHFFFAOYSA-N 0 3 291.373 -1.531 20 0 CAADHN CC1(OCC(=O)N2CCS(=O)(=O)CC2)CNC1 ZINC000098061345 545550744 /nfs/dbraw/zinc/55/07/44/545550744.db2.gz XWECOIKMQYMRDX-UHFFFAOYSA-N 0 3 262.331 -1.378 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1NCC1(C)C ZINC000645925289 545552817 /nfs/dbraw/zinc/55/28/17/545552817.db2.gz IFESPMAAOQTTDE-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN Cn1nncc1CNC1CC(NS(C)(=O)=O)C1 ZINC000669832190 545554422 /nfs/dbraw/zinc/55/44/22/545554422.db2.gz JNXWENWGLDFJJX-UHFFFAOYSA-N 0 3 259.335 -1.015 20 0 CAADHN CN[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC000196382334 545563061 /nfs/dbraw/zinc/56/30/61/545563061.db2.gz RGWDMUUMSNQTQO-FXQIFTODSA-N 0 3 259.306 -1.223 20 0 CAADHN CN(C(=O)CNC(=O)CN)[C@@H]1CN2CCC1CC2 ZINC000381158913 545563151 /nfs/dbraw/zinc/56/31/51/545563151.db2.gz FQGVNOQJLIPGBN-SNVBAGLBSA-N 0 3 254.334 -1.386 20 0 CAADHN O=C1CC[C@@H](CN(CCO)CCN2CCOCC2)N1 ZINC000649547465 545563544 /nfs/dbraw/zinc/56/35/44/545563544.db2.gz TYORAJUALCBLGI-LBPRGKRZSA-N 0 3 271.361 -1.109 20 0 CAADHN CN(C)CCN1CCN(Cc2nnnn2C)CC1=O ZINC000649687822 545563633 /nfs/dbraw/zinc/56/36/33/545563633.db2.gz HBPUEYCGHJCBKC-UHFFFAOYSA-N 0 3 267.337 -1.584 20 0 CAADHN C[C@@H](c1nnnn1C)N1CCN(CCN(C)C)C(=O)C1 ZINC000649685721 545564493 /nfs/dbraw/zinc/56/44/93/545564493.db2.gz KGMAZLJOLKVAPE-JTQLQIEISA-N 0 3 281.364 -1.023 20 0 CAADHN CN(C)CCN1CCN([C@H]2CCN(C)C2=O)CC1=O ZINC000649687705 545564785 /nfs/dbraw/zinc/56/47/85/545564785.db2.gz BONUDVNWDGWSQB-NSHDSACASA-N 0 3 268.361 -1.077 20 0 CAADHN CC[C@H](C(N)=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000649688058 545565030 /nfs/dbraw/zinc/56/50/30/545565030.db2.gz PJNKCYAGFMTGMR-SNVBAGLBSA-N 0 3 256.350 -1.044 20 0 CAADHN CN(C)CCN1CCN(CC(=O)N2CCOCC2)CC1=O ZINC000649689621 545565297 /nfs/dbraw/zinc/56/52/97/545565297.db2.gz VSTCEUGWEBTICN-UHFFFAOYSA-N 0 3 298.387 -1.449 20 0 CAADHN CCNC(=O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000649689642 545565669 /nfs/dbraw/zinc/56/56/69/545565669.db2.gz WRCDWEJFZLWYEA-UHFFFAOYSA-N 0 3 256.350 -1.172 20 0 CAADHN CN1CC[C@H](N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1=O ZINC000564739956 545566278 /nfs/dbraw/zinc/56/62/78/545566278.db2.gz MNJRFZXZVJTXJV-BBBLOLIVSA-N 0 3 252.318 -1.539 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN2C[C@@H](O)C[C@H]2CO)C[C@@H](C)O1 ZINC000473151984 545568159 /nfs/dbraw/zinc/56/81/59/545568159.db2.gz WHHHZIMNAHADMY-DGTMBMJNSA-N 0 3 288.388 -1.116 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN2C[C@@H](O)C[C@H]2CO)C[C@H](C)O1 ZINC000473151986 545568528 /nfs/dbraw/zinc/56/85/28/545568528.db2.gz WHHHZIMNAHADMY-NDKCEZKHSA-N 0 3 288.388 -1.116 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)CN2C[C@@H](O)C[C@H]2CO)C[C@H](C)O1 ZINC000473151989 545568551 /nfs/dbraw/zinc/56/85/51/545568551.db2.gz WHHHZIMNAHADMY-ZUWCUPBKSA-N 0 3 288.388 -1.116 20 0 CAADHN COCCN1CCC(NC(=O)CN2CCNCC2=O)CC1 ZINC000165856691 545570454 /nfs/dbraw/zinc/57/04/54/545570454.db2.gz ZMHVRKLGAWDPEL-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN CC(C(=O)NC[C@H]1CN2CCN1CCC2)S(C)(=O)=O ZINC000670409588 545571067 /nfs/dbraw/zinc/57/10/67/545571067.db2.gz PXNBPQUAXLBDAI-QWRGUYRKSA-N 0 3 289.401 -1.074 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@@H]2CN3CCN2CCC3)C1 ZINC000670408678 545571460 /nfs/dbraw/zinc/57/14/60/545571460.db2.gz UOBFDTFXIJBKHA-CHWSQXEVSA-N 0 3 282.388 -1.177 20 0 CAADHN CCN1C[C@H](CNC(=O)C(=O)N(C)CCN(C)C)CC1=O ZINC000653450419 545572166 /nfs/dbraw/zinc/57/21/66/545572166.db2.gz IJFSCIGTNKAAIK-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN CN(CCC[NH3+])C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000158825894 545556826 /nfs/dbraw/zinc/55/68/26/545556826.db2.gz OPWCCDSVQFGWIU-UHFFFAOYSA-N 0 3 289.361 -1.494 20 0 CAADHN O=C([C@@H]1COCCO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405260324 545559235 /nfs/dbraw/zinc/55/92/35/545559235.db2.gz IQWRRXUXXVZNOT-AXFHLTTASA-N 0 3 256.302 -1.321 20 0 CAADHN CN1CCN(C(=O)CCC(=O)N2CCOCC2)[C@H](CN)C1 ZINC000162652093 545560179 /nfs/dbraw/zinc/56/01/79/545560179.db2.gz CUEGGUVAZKVDPY-GFCCVEGCSA-N 0 3 298.387 -1.273 20 0 CAADHN CN[C@@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000054075059 545561001 /nfs/dbraw/zinc/56/10/01/545561001.db2.gz AGZKTXPOSIYTAI-VIFPVBQESA-N 0 3 278.378 -1.455 20 0 CAADHN COCCN1CCC(NC(=O)C2(O)CNC2)CC1 ZINC000662690986 545576705 /nfs/dbraw/zinc/57/67/05/545576705.db2.gz FGEBFUMYUUPAGA-UHFFFAOYSA-N 0 3 257.334 -1.452 20 0 CAADHN O=C(N1CCN([C@H]2CCC[C@@H]2O)CC1)C1(O)CNC1 ZINC000662718012 545577957 /nfs/dbraw/zinc/57/79/57/545577957.db2.gz VCKXTXNCVDOINV-QWRGUYRKSA-N 0 3 269.345 -1.622 20 0 CAADHN O=C(CN1CCCC1)N1CCN(C(=O)C2(O)CNC2)CC1 ZINC000662716506 545578004 /nfs/dbraw/zinc/57/80/04/545578004.db2.gz UFZOHYDAFNAOOS-UHFFFAOYSA-N 0 3 296.371 -1.913 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)C1(O)CNC1 ZINC000662710241 545578051 /nfs/dbraw/zinc/57/80/51/545578051.db2.gz GEVFMNZTVHPZGJ-JTQLQIEISA-N 0 3 257.334 -1.452 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C[C@@H](C)N)C[C@H]21 ZINC000662697304 545578110 /nfs/dbraw/zinc/57/81/10/545578110.db2.gz DPJQOYDNODRDOR-RGOKHQFPSA-N 0 3 276.358 -1.006 20 0 CAADHN CN1C[C@H](CNC(=O)CN2CCCC[C@H](N)C2=O)CC1=O ZINC000662886508 545579458 /nfs/dbraw/zinc/57/94/58/545579458.db2.gz GRPAPMMQYTWTQK-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN N[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)CC[C@H]1F ZINC000662749056 545579679 /nfs/dbraw/zinc/57/96/79/545579679.db2.gz JAXCWWIJRNQMJJ-RKDXNWHRSA-N 0 3 279.337 -1.080 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(=O)N(C)CC1 ZINC000662887591 545580293 /nfs/dbraw/zinc/58/02/93/545580293.db2.gz KFOJAAMATASUCW-LBPRGKRZSA-N 0 3 284.360 -1.223 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCOCC1 ZINC000662918298 545580647 /nfs/dbraw/zinc/58/06/47/545580647.db2.gz BUYRJRKNKKDUKQ-UHFFFAOYSA-N 0 3 253.302 -1.205 20 0 CAADHN C[C@H](CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N(C)C ZINC000666244443 545585293 /nfs/dbraw/zinc/58/52/93/545585293.db2.gz UTCAZFNTOFOKCP-QCNRFFRDSA-N 0 3 258.318 -1.535 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662921001 545581108 /nfs/dbraw/zinc/58/11/08/545581108.db2.gz CJVMXMZETDJILO-NXEZZACHSA-N 0 3 274.340 -1.096 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)C[C@H](CO)O1 ZINC000662943943 545582196 /nfs/dbraw/zinc/58/21/96/545582196.db2.gz FNYNNZSMLXMVJF-FQYCYVTBSA-N 0 3 297.355 -1.456 20 0 CAADHN COC[C@@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CCO1 ZINC000662938764 545582245 /nfs/dbraw/zinc/58/22/45/545582245.db2.gz YSEPKCMTFYMEKU-CVZZAPKMSA-N 0 3 297.355 -1.190 20 0 CAADHN CN(CCOCCO)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662939117 545582271 /nfs/dbraw/zinc/58/22/71/545582271.db2.gz BUWHDHTVACNBAG-UHFFFAOYSA-N 0 3 285.344 -1.597 20 0 CAADHN CCN1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1=O ZINC000662935529 545582478 /nfs/dbraw/zinc/58/24/78/545582478.db2.gz ZIFPBQDHTVXKKI-UHFFFAOYSA-N 0 3 294.355 -1.373 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662931058 545582572 /nfs/dbraw/zinc/58/25/72/545582572.db2.gz ZTKLDLNYDBITRB-BGQFSCJGSA-N 0 3 280.328 -1.717 20 0 CAADHN Cc1ncc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(N)n1 ZINC000584182624 545585432 /nfs/dbraw/zinc/58/54/32/545585432.db2.gz GRKWQANVBDCKDZ-UWVGGRQHSA-N 0 3 265.317 -0.886 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)N(C)C ZINC000666244439 545584678 /nfs/dbraw/zinc/58/46/78/545584678.db2.gz URRSNRXYDLNPIU-ZJUUUORDSA-N 0 3 292.405 -1.032 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C[C@H](O)CO)c1)N(C)C ZINC000666243517 545584828 /nfs/dbraw/zinc/58/48/28/545584828.db2.gz IETSCMYXBPVSGA-KOLCDFICSA-N 0 3 270.333 -1.084 20 0 CAADHN Cc1ncc(C(=O)NC[C@@]2(O)CCN(C)C2)c(N)n1 ZINC000545861956 545585756 /nfs/dbraw/zinc/58/57/56/545585756.db2.gz HDUARKPLNZQCQI-LBPRGKRZSA-N 0 3 265.317 -0.836 20 0 CAADHN COCCN(C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000667994998 545591254 /nfs/dbraw/zinc/59/12/54/545591254.db2.gz WAAPLZVYMVEKJC-SECBINFHSA-N 0 3 258.322 -1.296 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000667183461 545588776 /nfs/dbraw/zinc/58/87/76/545588776.db2.gz ZBTWYKISAZMJJB-VIFPVBQESA-N 0 3 290.389 -1.265 20 0 CAADHN CN(CCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1CC1 ZINC000667158855 545588888 /nfs/dbraw/zinc/58/88/88/545588888.db2.gz LEVUMTYREIQTNQ-IJLUTSLNSA-N 0 3 270.329 -1.390 20 0 CAADHN CN(C)CCn1cc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cn1 ZINC000667772690 545590012 /nfs/dbraw/zinc/59/00/12/545590012.db2.gz QAHKUUZECWNXJO-VIFPVBQESA-N 0 3 294.315 -1.019 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001275265868 782169046 /nfs/dbraw/zinc/16/90/46/782169046.db2.gz GOAYKBZZFISZSR-NKWVEPMBSA-N 0 3 257.294 -2.410 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCn1cncn1 ZINC001275354430 782170010 /nfs/dbraw/zinc/17/00/10/782170010.db2.gz BVOXEOJAYGZCQU-BDAKNGLRSA-N 0 3 268.321 -1.364 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C1(C(N)=O)CC1 ZINC001275292163 782170030 /nfs/dbraw/zinc/17/00/30/782170030.db2.gz UNPHFSVPJFBAEI-BQBZGAKWSA-N 0 3 256.306 -1.780 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C2CCC2)C1=O)NC(=O)C(N)=O ZINC001275291176 782170424 /nfs/dbraw/zinc/17/04/24/782170424.db2.gz DVRRWYDJKZEAGA-WPRPVWTQSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001275292089 782170452 /nfs/dbraw/zinc/17/04/52/782170452.db2.gz RLRIKEBOOIYAES-YUMQZZPRSA-N 0 3 268.317 -1.765 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001275292088 782170457 /nfs/dbraw/zinc/17/04/57/782170457.db2.gz RLRIKEBOOIYAES-JGVFFNPUSA-N 0 3 268.317 -1.765 20 0 CAADHN C[C@@H](CNCCF)NC(=O)CN1CC(=O)N(C)C1=O ZINC001275405138 782170941 /nfs/dbraw/zinc/17/09/41/782170941.db2.gz BAWLXYNWCUOIOI-QMMMGPOBSA-N 0 3 274.296 -1.056 20 0 CAADHN Cc1cc(=O)c(C(=O)N[C@@H](C)CNCC(N)=O)c[nH]1 ZINC001275391677 782171035 /nfs/dbraw/zinc/17/10/35/782171035.db2.gz LJWXMACQGRSNAE-QMMMGPOBSA-N 0 3 266.301 -1.123 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001275424588 782171409 /nfs/dbraw/zinc/17/14/09/782171409.db2.gz PKSVGVMOMBOAGX-RQJHMYQMSA-N 0 3 258.322 -1.534 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001275410870 782171589 /nfs/dbraw/zinc/17/15/89/782171589.db2.gz WHEGZRZGZJFRAQ-YIZRAAEISA-N 0 3 296.327 -1.836 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001275415262 782171662 /nfs/dbraw/zinc/17/16/62/782171662.db2.gz OBDBOQCCAUZXJF-NKWVEPMBSA-N 0 3 259.310 -2.117 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1cncn1 ZINC001275436608 782171693 /nfs/dbraw/zinc/17/16/93/782171693.db2.gz XJXMBCVZWKKEPE-YUMQZZPRSA-N 0 3 254.294 -1.754 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001275424587 782171700 /nfs/dbraw/zinc/17/17/00/782171700.db2.gz PKSVGVMOMBOAGX-RNFRBKRXSA-N 0 3 258.322 -1.534 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001275415264 782171757 /nfs/dbraw/zinc/17/17/57/782171757.db2.gz OBDBOQCCAUZXJF-RNFRBKRXSA-N 0 3 259.310 -2.117 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001275415258 782171889 /nfs/dbraw/zinc/17/18/89/782171889.db2.gz OBDBOQCCAUZXJF-BQBZGAKWSA-N 0 3 259.310 -2.117 20 0 CAADHN C[C@@H](NC(=O)c1nnn(C)n1)[C@H](C)NCC(N)=O ZINC001275468659 782172640 /nfs/dbraw/zinc/17/26/40/782172640.db2.gz FRXLIEOEOBRACI-NTSWFWBYSA-N 0 3 255.282 -2.208 20 0 CAADHN CCOCCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C(N)=O ZINC001275480476 782172676 /nfs/dbraw/zinc/17/26/76/782172676.db2.gz IATDGOFECISHAC-IUCAKERBSA-N 0 3 288.348 -1.893 20 0 CAADHN CCOCCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C(N)=O ZINC001275480471 782173196 /nfs/dbraw/zinc/17/31/96/782173196.db2.gz IATDGOFECISHAC-BDAKNGLRSA-N 0 3 288.348 -1.893 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)[C@H](C)NCC(=O)NCC1CC1 ZINC001275480772 782173208 /nfs/dbraw/zinc/17/32/08/782173208.db2.gz IYKFNDWANINFTR-JGVFFNPUSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](NC(=O)Cc1c[nH]cn1)[C@H](C)NCC(N)=O ZINC001275505325 782173875 /nfs/dbraw/zinc/17/38/75/782173875.db2.gz WPEWVTGGFPNPKY-JGVFFNPUSA-N 0 3 253.306 -1.080 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](C)[C@H](C)NCC(N)=O)CCC1 ZINC001275540678 782174350 /nfs/dbraw/zinc/17/43/50/782174350.db2.gz NSORHQYPYNUPDY-DTWKUNHWSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](C)[C@H](C)NCC(N)=O)CCC1 ZINC001275540679 782174397 /nfs/dbraw/zinc/17/43/97/782174397.db2.gz NSORHQYPYNUPDY-IUCAKERBSA-N 0 3 284.360 -1.129 20 0 CAADHN Cc1nonc1C(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001275580186 782175250 /nfs/dbraw/zinc/17/52/50/782175250.db2.gz JPUKBOUDJQTCRN-WDSKDSINSA-N 0 3 255.278 -1.040 20 0 CAADHN C[C@@H](CN(C)C[C@H]1CCc2ncnn21)NC(=O)C(N)=O ZINC001275639770 782175802 /nfs/dbraw/zinc/17/58/02/782175802.db2.gz YNSPZVPUAZUARZ-DTWKUNHWSA-N 0 3 280.332 -1.313 20 0 CAADHN CC(=O)NCCOCCN(C)C[C@@H](C)NC(=O)C(N)=O ZINC001275636859 782176516 /nfs/dbraw/zinc/17/65/16/782176516.db2.gz HGHGUBBACMBPKC-SECBINFHSA-N 0 3 288.348 -1.939 20 0 CAADHN CC(=O)NCCOCCN(C)C[C@H](C)NC(=O)C(N)=O ZINC001275636862 782176576 /nfs/dbraw/zinc/17/65/76/782176576.db2.gz HGHGUBBACMBPKC-VIFPVBQESA-N 0 3 288.348 -1.939 20 0 CAADHN C[C@H](CN(C)C[C@@H]1CCc2ncnn21)NC(=O)C(N)=O ZINC001275639768 782176623 /nfs/dbraw/zinc/17/66/23/782176623.db2.gz YNSPZVPUAZUARZ-BDAKNGLRSA-N 0 3 280.332 -1.313 20 0 CAADHN C[C@@H](CN(C)CCOCCO)NC(=O)c1cnn(C)n1 ZINC001275682908 782177178 /nfs/dbraw/zinc/17/71/78/782177178.db2.gz YSVBDSMDTUDSCE-JTQLQIEISA-N 0 3 285.348 -1.126 20 0 CAADHN C[C@@H](CN(C)CC(N)=O)NC(=O)CCc1cnn[nH]1 ZINC001275659145 782178208 /nfs/dbraw/zinc/17/82/08/782178208.db2.gz MTOVBNMNABRNTD-QMMMGPOBSA-N 0 3 268.321 -1.341 20 0 CAADHN NC(=O)CC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001297027828 782178910 /nfs/dbraw/zinc/17/89/10/782178910.db2.gz ORGJXFNOYCBJFC-UHFFFAOYSA-N 0 3 268.317 -1.715 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)CC(N)=O ZINC001275790734 782179332 /nfs/dbraw/zinc/17/93/32/782179332.db2.gz IYUHKNUOJYYCHS-BDAKNGLRSA-N 0 3 261.322 -1.694 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)N(C)CCOCCO ZINC001275817507 782180547 /nfs/dbraw/zinc/18/05/47/782180547.db2.gz CITVMYMHPJOEBC-JTQLQIEISA-N 0 3 285.348 -1.126 20 0 CAADHN C[C@H](CNC(=O)C(=O)NCC(F)F)N(C)CCO ZINC001275865494 782182649 /nfs/dbraw/zinc/18/26/49/782182649.db2.gz KYQIXSUHYYEYBN-SSDOTTSWSA-N 0 3 267.276 -1.204 20 0 CAADHN C[C@H](CNC(=O)c1nnc[nH]1)N(C)[C@@H]1CCC(=O)NC1=O ZINC001275962790 782184108 /nfs/dbraw/zinc/18/41/08/782184108.db2.gz JRVVLSYRROPRCA-HTQZYQBOSA-N 0 3 294.315 -1.340 20 0 CAADHN CN(C)CCN1CC2(CN(S(N)(=O)=O)C2)OCC1=O ZINC001275946334 782184209 /nfs/dbraw/zinc/18/42/09/782184209.db2.gz MWULAJPSFXECFC-UHFFFAOYSA-N 0 3 292.361 -2.335 20 0 CAADHN CN(C)CCN1CC[C@@]2(CCN(S(N)(=O)=O)C2)C1=O ZINC001275945069 782183849 /nfs/dbraw/zinc/18/38/49/782183849.db2.gz IYXAPOJXBWABJV-NSHDSACASA-N 0 3 290.389 -1.324 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[nH]1)N(C)[C@@H](C)C(N)=O ZINC001275969905 782185256 /nfs/dbraw/zinc/18/52/56/782185256.db2.gz HIKNQAKZQCNQEP-SFYZADRCSA-N 0 3 268.321 -1.343 20 0 CAADHN CC(C)[C@H](NC=O)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000860827011 582109190 /nfs/dbraw/zinc/10/91/90/582109190.db2.gz TXDXJWUAZYUYRE-JQWIXIFHSA-N 0 3 257.334 -1.060 20 0 CAADHN O=C(N[C@H]1CNCCC1(F)F)[C@@H]1CCS(=O)(=O)N1 ZINC000846677948 582109567 /nfs/dbraw/zinc/10/95/67/582109567.db2.gz HAKGROQVAALAGO-BQBZGAKWSA-N 0 3 283.300 -1.209 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](NC(=O)CN2CCNCC2)C1 ZINC000400308536 582109794 /nfs/dbraw/zinc/10/97/94/582109794.db2.gz WHWQUZOLLBHFTE-SNVBAGLBSA-N 0 3 290.389 -1.958 20 0 CAADHN CCN1CCCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC000668476073 582109800 /nfs/dbraw/zinc/10/98/00/582109800.db2.gz XHHACRRVXQLFQB-JHJVBQTASA-N 0 3 284.356 -1.047 20 0 CAADHN O[C@@H](CNC1CN(c2ccncn2)C1)CN1CCOCC1 ZINC000634728649 582109889 /nfs/dbraw/zinc/10/98/89/582109889.db2.gz JLFXVAHBIGPSMU-ZDUSSCGKSA-N 0 3 293.371 -1.052 20 0 CAADHN CC1CCN(CCNC(=O)C(=O)N[C@H]2CCNC2=O)CC1 ZINC000668496711 582110070 /nfs/dbraw/zinc/11/00/70/582110070.db2.gz BNEFKNCNFHISDN-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN COCCN(C)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126315462 582110218 /nfs/dbraw/zinc/11/02/18/582110218.db2.gz UGGUNPOCRIXKME-LBPRGKRZSA-N 0 3 288.392 -1.220 20 0 CAADHN CCN1C[C@@H](NC(=O)CN2CCNCC2)CC1=O ZINC000391595788 582110372 /nfs/dbraw/zinc/11/03/72/582110372.db2.gz CSHLLGSHRNTQQI-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)NCCNS(C)(=O)=O)[C@@H]2C1 ZINC000891768043 582110483 /nfs/dbraw/zinc/11/04/83/582110483.db2.gz OPFBZQLTGZVBQV-VHSXEESVSA-N 0 3 290.389 -1.119 20 0 CAADHN COCCNCCNC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000892056470 582110893 /nfs/dbraw/zinc/11/08/93/582110893.db2.gz SDMSDVYXSLYICK-NXEZZACHSA-N 0 3 261.322 -1.377 20 0 CAADHN COCCNCCNC(=O)N[C@@H]1COCC[C@H]1O ZINC000892051418 582110956 /nfs/dbraw/zinc/11/09/56/582110956.db2.gz RUVYHVRKJHISPN-NXEZZACHSA-N 0 3 261.322 -1.329 20 0 CAADHN CN(C(=O)NC[C@H]1CNCCO1)[C@@H]1COC[C@H]1O ZINC000892188069 582111039 /nfs/dbraw/zinc/11/10/39/582111039.db2.gz FIRBRSWRBOZBLQ-OPRDCNLKSA-N 0 3 259.306 -1.624 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)NC[C@@H]3CNCCO3)C[C@H]2C1=O ZINC000892183606 582111049 /nfs/dbraw/zinc/11/10/49/582111049.db2.gz JQWAYFNZYKSDDO-LPEHRKFASA-N 0 3 296.327 -1.769 20 0 CAADHN CN(C(=O)NC[C@@H]1CNCCO1)[C@@H]1COC[C@H]1O ZINC000892188068 582111054 /nfs/dbraw/zinc/11/10/54/582111054.db2.gz FIRBRSWRBOZBLQ-IVZWLZJFSA-N 0 3 259.306 -1.624 20 0 CAADHN CN1CCC[C@@H](NC(=O)N2CC3(C2)NC(=O)NC3=O)C1 ZINC000892237643 582111058 /nfs/dbraw/zinc/11/10/58/582111058.db2.gz MTBZTJFEZIDTOP-MRVPVSSYSA-N 0 3 281.316 -1.316 20 0 CAADHN C[C@H]1CN(C(=O)NC[C@@H]2CNCCO2)CCS1(=O)=O ZINC000892177906 582111092 /nfs/dbraw/zinc/11/10/92/582111092.db2.gz AJKXKEPWIJLDAY-UWVGGRQHSA-N 0 3 291.373 -1.197 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]2CO)CC1=O ZINC000889139990 582111498 /nfs/dbraw/zinc/11/14/98/582111498.db2.gz HJHBYRYILHYLIJ-GHMZBOCLSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H]2CO)CC1=O ZINC000889139993 582111512 /nfs/dbraw/zinc/11/15/12/582111512.db2.gz HJHBYRYILHYLIJ-WDEREUQCSA-N 0 3 269.345 -1.010 20 0 CAADHN COC(=O)CNC(=O)CCN1C[C@H]2C[C@@]2(CO)C1 ZINC000782619301 582111749 /nfs/dbraw/zinc/11/17/49/582111749.db2.gz JBLSLGOMURUWBD-SKDRFNHKSA-N 0 3 256.302 -1.020 20 0 CAADHN NC[C@H]1CC(C(=O)NCCN2CCCC2=O)=NO1 ZINC000852895380 582112262 /nfs/dbraw/zinc/11/22/62/582112262.db2.gz ADGCKRVKEFNRHB-MRVPVSSYSA-N 0 3 254.290 -1.171 20 0 CAADHN CN1C[C@H](NC(=O)C2=NO[C@@H](CN)C2)CCC1=O ZINC000852840158 582112267 /nfs/dbraw/zinc/11/22/67/582112267.db2.gz QVCWMXXFRLVLPF-HTQZYQBOSA-N 0 3 254.290 -1.173 20 0 CAADHN CN1C[C@H](NC(=O)C2=NO[C@H](CN)C2)CCC1=O ZINC000852840164 582112290 /nfs/dbraw/zinc/11/22/90/582112290.db2.gz QVCWMXXFRLVLPF-SFYZADRCSA-N 0 3 254.290 -1.173 20 0 CAADHN C[C@@H]1CS(=O)(=O)CCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852842918 582112312 /nfs/dbraw/zinc/11/23/12/582112312.db2.gz LMKIYNZFJQLHGT-SFYZADRCSA-N 0 3 275.330 -1.265 20 0 CAADHN O=C(N[C@H]1CCN(C2CC2)C1)N1CC2(C1)NC(=O)NC2=O ZINC000893018621 582112424 /nfs/dbraw/zinc/11/24/24/582112424.db2.gz FQCGARNYZSAOQS-QMMMGPOBSA-N 0 3 293.327 -1.174 20 0 CAADHN CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000854466453 582112508 /nfs/dbraw/zinc/11/25/08/582112508.db2.gz CYSSSUWLPZEAMX-ZJUUUORDSA-N 0 3 275.374 -1.054 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)NCCN2CCNC(=O)C2)C1 ZINC000894108549 582113220 /nfs/dbraw/zinc/11/32/20/582113220.db2.gz ZVIVQHZUJHQWGF-RYUDHWBXSA-N 0 3 295.387 -1.236 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)NCCN3CCNC(=O)C3)[C@@H]2C1 ZINC000894108547 582113225 /nfs/dbraw/zinc/11/32/25/582113225.db2.gz ZVIVQHZUJHQWGF-NWDGAFQWSA-N 0 3 295.387 -1.236 20 0 CAADHN CN1C[C@H]2CCN(C(=O)NCCN3CCNC(=O)C3)[C@@H]2C1 ZINC000894108551 582113254 /nfs/dbraw/zinc/11/32/54/582113254.db2.gz ZVIVQHZUJHQWGF-VXGBXAGGSA-N 0 3 295.387 -1.236 20 0 CAADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000652699281 582113328 /nfs/dbraw/zinc/11/33/28/582113328.db2.gz ULEMSSIVVPWGOU-SNVBAGLBSA-N 0 3 284.360 -1.223 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000894334772 582113942 /nfs/dbraw/zinc/11/39/42/582113942.db2.gz GXOUWTBDHADVOY-NXEZZACHSA-N 0 3 290.389 -1.119 20 0 CAADHN CC(=O)[C@@](C)(O)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535000 582113948 /nfs/dbraw/zinc/11/39/48/582113948.db2.gz BUZXWUPPVXPRPW-SBMIAAHKSA-N 0 3 254.286 -1.127 20 0 CAADHN CN(C)S(=O)(=O)NCCNC1CC(S(C)(=O)=O)C1 ZINC000894418492 582114049 /nfs/dbraw/zinc/11/40/49/582114049.db2.gz IEHJEOZQZXZUEG-UHFFFAOYSA-N 0 3 299.418 -1.452 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)CCS(N)(=O)=O ZINC000880085208 582114147 /nfs/dbraw/zinc/11/41/47/582114147.db2.gz FEDQDTWXUOICON-SNVBAGLBSA-N 0 3 283.394 -1.854 20 0 CAADHN NC(C(=O)N1CC[C@H](S(N)(=O)=O)C1)C(F)(F)F ZINC000519545203 582114184 /nfs/dbraw/zinc/11/41/84/582114184.db2.gz QZVXODDNJZSIKA-CRCLSJGQSA-N 0 3 275.252 -1.235 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1C[C@H]1CCN(C)C1=O ZINC000882163313 582114817 /nfs/dbraw/zinc/11/48/17/582114817.db2.gz PSNMATLGAODGAO-HTQZYQBOSA-N 0 3 275.330 -1.128 20 0 CAADHN C[C@@H](CNC(=S)NCCNS(C)(=O)=O)N(C)C ZINC000727073597 582114912 /nfs/dbraw/zinc/11/49/12/582114912.db2.gz FLTWYGYQNOSCBN-QMMMGPOBSA-N 0 3 282.435 -1.050 20 0 CAADHN COCCN(C)CCCNC(=S)NCC(N)=O ZINC000727074688 582115097 /nfs/dbraw/zinc/11/50/97/582115097.db2.gz NZMWMFHAKZDSQO-UHFFFAOYSA-N 0 3 262.379 -1.096 20 0 CAADHN CCN1CCN([C@@H](C)CNC(=S)NCC(N)=O)CC1 ZINC000727075818 582115124 /nfs/dbraw/zinc/11/51/24/582115124.db2.gz LXTFBYQARPARJE-JTQLQIEISA-N 0 3 287.433 -1.038 20 0 CAADHN CN1CCOC[C@@]1(CO)CNC1CC(S(C)(=O)=O)C1 ZINC000896456934 582116002 /nfs/dbraw/zinc/11/60/02/582116002.db2.gz HGQLJLKKTNDWFQ-MCIGGMRASA-N 0 3 292.401 -1.155 20 0 CAADHN COC(=O)[C@@H](O)CNC(=O)C1CN(C2CCOCC2)C1 ZINC000897253904 582116717 /nfs/dbraw/zinc/11/67/17/582116717.db2.gz LUBVEMAKFUVKPO-NSHDSACASA-N 0 3 286.328 -1.253 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)NCCN1CCNC1=O ZINC000897313578 582116880 /nfs/dbraw/zinc/11/68/80/582116880.db2.gz IDBLVZMYLBSVDV-UHFFFAOYSA-N 0 3 299.375 -1.414 20 0 CAADHN COC(=O)[C@H](CO)NC(=O)C1CN(C2CCOCC2)C1 ZINC000897376113 582117246 /nfs/dbraw/zinc/11/72/46/582117246.db2.gz NBYDRHAZONNZQY-NSHDSACASA-N 0 3 286.328 -1.253 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)C[C@H](C)N ZINC000861649151 582117397 /nfs/dbraw/zinc/11/73/97/582117397.db2.gz DBCJPJCDIVHCDW-XHNCKOQMSA-N 0 3 279.362 -1.213 20 0 CAADHN CCOC(=O)C[C@H](O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000863329128 582117752 /nfs/dbraw/zinc/11/77/52/582117752.db2.gz KQWNSGWKBAFLGB-YUMQZZPRSA-N 0 3 294.329 -1.292 20 0 CAADHN CC(C)(O)[C@@H](O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864059392 582117903 /nfs/dbraw/zinc/11/79/03/582117903.db2.gz HKBGKPDDWGOFBM-AEJSXWLSSA-N 0 3 258.318 -1.604 20 0 CAADHN CNC(=O)CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000729506219 582118104 /nfs/dbraw/zinc/11/81/04/582118104.db2.gz OIZGAFDRVDKTEY-VHSXEESVSA-N 0 3 270.333 -1.105 20 0 CAADHN O=C1COC[C@@]2(CN[C@@H]3CCOC3)COCCN12 ZINC000865798117 582118323 /nfs/dbraw/zinc/11/83/23/582118323.db2.gz QITCCEBVPLKGCN-ZYHUDNBSSA-N 0 3 256.302 -1.007 20 0 CAADHN CN1CCC[C@H]1C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000897905463 582118777 /nfs/dbraw/zinc/11/87/77/582118777.db2.gz OIKURYHLWLQUJW-YIZRAAEISA-N 0 3 251.286 -1.188 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000897905462 582118814 /nfs/dbraw/zinc/11/88/14/582118814.db2.gz OIKURYHLWLQUJW-HRDYMLBCSA-N 0 3 251.286 -1.188 20 0 CAADHN CN1C(=O)CN=C1NC(=O)C1CCCS1(=O)=O ZINC000898770951 582120039 /nfs/dbraw/zinc/12/00/39/582120039.db2.gz BVWDBEZGJFCJAH-LURJTMIESA-N 0 3 259.287 -1.492 20 0 CAADHN O=C(NCCN1CC[C@@H](O)C1)C1CN([C@@H]2CCOC2)C1 ZINC000899145520 582120393 /nfs/dbraw/zinc/12/03/93/582120393.db2.gz LORCZFAHLCUCPI-CHWSQXEVSA-N 0 3 283.372 -1.110 20 0 CAADHN O=C(NCCN1CCOCC1)N1CCNCCNCC1 ZINC000899241892 582120626 /nfs/dbraw/zinc/12/06/26/582120626.db2.gz NHJIUSSLCRRVCA-UHFFFAOYSA-N 0 3 285.392 -1.477 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)[C@@H](C)O ZINC000899263309 582120838 /nfs/dbraw/zinc/12/08/38/582120838.db2.gz DVPWZBSEHCVMEF-VWYCJHECSA-N 0 3 285.344 -1.585 20 0 CAADHN CCNS(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645835652 582121023 /nfs/dbraw/zinc/12/10/23/582121023.db2.gz WZYDLQGMEHFJGC-VIFPVBQESA-N 0 3 278.378 -1.108 20 0 CAADHN NC(=O)CNC(=S)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000899667152 582121208 /nfs/dbraw/zinc/12/12/08/582121208.db2.gz NVXZTEFYTBTLJN-VHSXEESVSA-N 0 3 286.401 -1.123 20 0 CAADHN CN(CCO)CCNC(=O)CNC(=O)c1ccncc1 ZINC000899731677 582121838 /nfs/dbraw/zinc/12/18/38/582121838.db2.gz FWCMXMWCNPNBGY-UHFFFAOYSA-N 0 3 280.328 -1.148 20 0 CAADHN CN(CCO)CCNC(=O)CCSc1nnnn1C ZINC000899732362 582122018 /nfs/dbraw/zinc/12/20/18/582122018.db2.gz WUORQVBFUYYZBF-UHFFFAOYSA-N 0 3 288.377 -1.267 20 0 CAADHN CC(C)NC(=O)CN(C)CC(=O)NCCN(C)CCO ZINC000899729311 582122039 /nfs/dbraw/zinc/12/20/39/582122039.db2.gz DOPBBAPNMJGMML-UHFFFAOYSA-N 0 3 288.392 -1.517 20 0 CAADHN CN(CCO)CCNC(=O)CCN1C(=O)CCC1=O ZINC000899728733 582122067 /nfs/dbraw/zinc/12/20/67/582122067.db2.gz VUYOMXHWMNWNGC-UHFFFAOYSA-N 0 3 271.317 -1.434 20 0 CAADHN CN(CCO)CCNC(=O)CN1CSCC1=O ZINC000899725647 582122079 /nfs/dbraw/zinc/12/20/79/582122079.db2.gz BENSXCAPLCWSAC-UHFFFAOYSA-N 0 3 261.347 -1.440 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCN(C)CCO ZINC000899736677 582122223 /nfs/dbraw/zinc/12/22/23/582122223.db2.gz OOLPZRDZYNWYDM-UHFFFAOYSA-N 0 3 261.322 -1.869 20 0 CAADHN CN(CCO)CCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC000899738291 582122227 /nfs/dbraw/zinc/12/22/27/582122227.db2.gz WIQKJRHNVSJZDE-GFCCVEGCSA-N 0 3 257.334 -1.057 20 0 CAADHN CN(CCO)CCNC(=O)[C@H]1COCCN1CC(F)F ZINC000899737382 582122246 /nfs/dbraw/zinc/12/22/46/582122246.db2.gz HKBBGKYFJJYUFU-SNVBAGLBSA-N 0 3 295.330 -1.007 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)NCCN(C)CCO ZINC000899736464 582122262 /nfs/dbraw/zinc/12/22/62/582122262.db2.gz GJJSDXGSRPRYFL-LBPRGKRZSA-N 0 3 273.377 -1.005 20 0 CAADHN CN(CCO)CCNC(=O)CNC(=O)c1cccnc1 ZINC000899736749 582122398 /nfs/dbraw/zinc/12/23/98/582122398.db2.gz RVVNKGUPBLJGGV-UHFFFAOYSA-N 0 3 280.328 -1.148 20 0 CAADHN CN(CCO)CCNC(=O)c1cc2n(n1)CCO2 ZINC000899738711 582122406 /nfs/dbraw/zinc/12/24/06/582122406.db2.gz MNVJPCATOQZDPX-UHFFFAOYSA-N 0 3 254.290 -1.071 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCN(C)CCO ZINC000899730352 582122414 /nfs/dbraw/zinc/12/24/14/582122414.db2.gz WVDWAAWVMYHJKJ-UHFFFAOYSA-N 0 3 267.351 -2.034 20 0 CAADHN CN(CCO)CCNC(=O)COCc1ccnn1C ZINC000899736969 582122426 /nfs/dbraw/zinc/12/24/26/582122426.db2.gz CERLHKHCQQIHOF-UHFFFAOYSA-N 0 3 270.333 -1.023 20 0 CAADHN CN(CCO)CCNC(=O)CN(C)S(C)(=O)=O ZINC000899733215 582122453 /nfs/dbraw/zinc/12/24/53/582122453.db2.gz WYVGWNKIUHNGCK-UHFFFAOYSA-N 0 3 267.351 -2.082 20 0 CAADHN CN(CCO)CCNC(=O)CS(=O)(=O)NC(C)(C)C ZINC000899733475 582122456 /nfs/dbraw/zinc/12/24/56/582122456.db2.gz COTCMYHRPQSGBM-UHFFFAOYSA-N 0 3 295.405 -1.255 20 0 CAADHN CN(CCO)CCNC(=O)CNC(=O)c1ccccn1 ZINC000899734132 582122463 /nfs/dbraw/zinc/12/24/63/582122463.db2.gz WGWQQAAQFUFXPC-UHFFFAOYSA-N 0 3 280.328 -1.148 20 0 CAADHN CNC(=O)C1(C(=O)NCCN(C)CCO)CCC1 ZINC000899733811 582122554 /nfs/dbraw/zinc/12/25/54/582122554.db2.gz JSHSMQAPFKXSSX-UHFFFAOYSA-N 0 3 257.334 -1.057 20 0 CAADHN CC(=O)N1CSC[C@@H]1C(=O)NCCN(C)CCO ZINC000899733240 582122645 /nfs/dbraw/zinc/12/26/45/582122645.db2.gz YJRXHLAMBNOLRL-SNVBAGLBSA-N 0 3 275.374 -1.052 20 0 CAADHN Cc1cc(O)cc(=O)n1CC(=O)NCCN(C)CCO ZINC000899734514 582122767 /nfs/dbraw/zinc/12/27/67/582122767.db2.gz IWTNVHAOJDYFIF-UHFFFAOYSA-N 0 3 283.328 -1.097 20 0 CAADHN CN1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000899935148 582122891 /nfs/dbraw/zinc/12/28/91/582122891.db2.gz KTJFQEVWSZXMTE-UHFFFAOYSA-N 0 3 254.334 -1.418 20 0 CAADHN CN(C)CCN1CCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000900009669 582123126 /nfs/dbraw/zinc/12/31/26/582123126.db2.gz KUPKWTSCEKIPBU-UHFFFAOYSA-N 0 3 297.403 -1.876 20 0 CAADHN CN1CCN(CCCNC(=O)[C@H]2OCCN(C)C2=O)CC1 ZINC000899991563 582123131 /nfs/dbraw/zinc/12/31/31/582123131.db2.gz RLKZWSJXPCUCRL-GFCCVEGCSA-N 0 3 298.387 -1.403 20 0 CAADHN C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)[C@H](C(N)=O)C1 ZINC000876884530 582123356 /nfs/dbraw/zinc/12/33/56/582123356.db2.gz KWQARXSLKBMBPA-UTLUCORTSA-N 0 3 256.350 -1.012 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000877035210 582123391 /nfs/dbraw/zinc/12/33/91/582123391.db2.gz VJKVNXVWBJPRJH-RKDXNWHRSA-N 0 3 256.306 -1.463 20 0 CAADHN COCCN1CC[C@H](NC(=S)NCC(N)=O)C1 ZINC000730733181 582124164 /nfs/dbraw/zinc/12/41/64/582124164.db2.gz GVTSHRUVIUDHFV-QMMMGPOBSA-N 0 3 260.363 -1.344 20 0 CAADHN CN(C)CCNC(=S)NCCCN1C(=O)CNC1=O ZINC000730952268 582124274 /nfs/dbraw/zinc/12/42/74/582124274.db2.gz ZNYSQAUUIVJXNI-UHFFFAOYSA-N 0 3 287.389 -1.046 20 0 CAADHN NCC(=O)NCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000649321048 582126036 /nfs/dbraw/zinc/12/60/36/582126036.db2.gz JOGTUFOTXPWJRL-WDEREUQCSA-N 0 3 284.360 -1.881 20 0 CAADHN Cn1cc(C(=O)NCCN2CCCC2)c(=O)n(C)c1=O ZINC000735031001 582128080 /nfs/dbraw/zinc/12/80/80/582128080.db2.gz VEGOWMLDOSQHNF-UHFFFAOYSA-N 0 3 280.328 -1.090 20 0 CAADHN CN1CCC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000735045266 582128109 /nfs/dbraw/zinc/12/81/09/582128109.db2.gz YBJSSNBYXSSFNX-VIFPVBQESA-N 0 3 280.328 -1.092 20 0 CAADHN Cn1cc(C(=O)N2CCCN(C)CC2)c(=O)n(C)c1=O ZINC000735028181 582128115 /nfs/dbraw/zinc/12/81/15/582128115.db2.gz GLFPKXKQXWETKB-UHFFFAOYSA-N 0 3 280.328 -1.138 20 0 CAADHN COCCN(C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735042370 582128129 /nfs/dbraw/zinc/12/81/29/582128129.db2.gz KFUAPPCROAEZEZ-UHFFFAOYSA-N 0 3 298.343 -1.608 20 0 CAADHN CN1CCC(NC(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000735113940 582128493 /nfs/dbraw/zinc/12/84/93/582128493.db2.gz DCNQPZIKIYFRRQ-UHFFFAOYSA-N 0 3 280.328 -1.092 20 0 CAADHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(=O)N1CCNC1=O ZINC000772504988 582133740 /nfs/dbraw/zinc/13/37/40/582133740.db2.gz AFNRTGWWNSAVGZ-SFYZADRCSA-N 0 3 283.284 -1.052 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1NC(=O)O[C@@H]1C ZINC000841426487 582135849 /nfs/dbraw/zinc/13/58/49/582135849.db2.gz YFNVQWSVCWYZMU-RKDXNWHRSA-N 0 3 259.306 -1.086 20 0 CAADHN NS(=O)(=O)CCN1CC[C@@H](CN2CCOCC2)C1 ZINC000741809005 582140664 /nfs/dbraw/zinc/14/06/64/582140664.db2.gz NWBDKXNZNPUWCQ-LLVKDONJSA-N 0 3 277.390 -1.071 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCC[S@](C)=O)CC1=O ZINC000742252092 582140770 /nfs/dbraw/zinc/14/07/70/582140770.db2.gz XICITRQUCURDSK-OVWNDWIMSA-N 0 3 289.401 -1.109 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCC[S@](C)=O)CC1=O ZINC000742252089 582140823 /nfs/dbraw/zinc/14/08/23/582140823.db2.gz XICITRQUCURDSK-DGIBIBHMSA-N 0 3 289.401 -1.109 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CCCNC(=O)C2)CC1=O ZINC000746199397 582141475 /nfs/dbraw/zinc/14/14/75/582141475.db2.gz AVKYRYBOSBNKAI-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)NC(CO)CO ZINC000745800472 582141530 /nfs/dbraw/zinc/14/15/30/582141530.db2.gz APQQSWURFCZHCX-WDEREUQCSA-N 0 3 273.333 -1.498 20 0 CAADHN CN(C)CCNC(=S)N1CCO[C@@H](C(N)=O)C1 ZINC000747623071 582141890 /nfs/dbraw/zinc/14/18/90/582141890.db2.gz CEFKWGBFLZZYBX-MRVPVSSYSA-N 0 3 260.363 -1.391 20 0 CAADHN NS(=O)(=O)c1ccc(CCN2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000750836108 582143139 /nfs/dbraw/zinc/14/31/39/582143139.db2.gz BJTPIXCGQXTYGP-TXEJJXNPSA-N 0 3 286.353 -1.086 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000751462438 582143428 /nfs/dbraw/zinc/14/34/28/582143428.db2.gz DQPLVFHHQAMOTR-ZJUUUORDSA-N 0 3 291.373 -1.485 20 0 CAADHN CCOC(=O)COCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000752888326 582143962 /nfs/dbraw/zinc/14/39/62/582143962.db2.gz XRGMHERUCZANBL-QMMMGPOBSA-N 0 3 294.329 -1.027 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NC1CC1 ZINC000752885711 582143971 /nfs/dbraw/zinc/14/39/71/582143971.db2.gz URSKXHMYVSQKMG-ZCFIWIBFSA-N 0 3 261.303 -1.328 20 0 CAADHN CC(C)NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000752879479 582144011 /nfs/dbraw/zinc/14/40/11/582144011.db2.gz JOXRODCFJIGWCO-ZETCQYMHSA-N 0 3 263.319 -1.082 20 0 CAADHN CCCNC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000752889688 582144092 /nfs/dbraw/zinc/14/40/92/582144092.db2.gz ZKRLFDSEIVEFOA-ZETCQYMHSA-N 0 3 263.319 -1.080 20 0 CAADHN COC(=O)C[C@H](NCC(=O)N1CCNC(=O)C1)C1CC1 ZINC000754541066 582144609 /nfs/dbraw/zinc/14/46/09/582144609.db2.gz XTRPZNOEWLOUPZ-JTQLQIEISA-N 0 3 283.328 -1.124 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCc2cnn(C)n2)CC1=O ZINC000805208426 582147511 /nfs/dbraw/zinc/14/75/11/582147511.db2.gz XGGKDLCNXKWXMW-JTQLQIEISA-N 0 3 294.359 -1.159 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCc2cnn(C)n2)CC1=O ZINC000805208427 582147591 /nfs/dbraw/zinc/14/75/91/582147591.db2.gz XGGKDLCNXKWXMW-SNVBAGLBSA-N 0 3 294.359 -1.159 20 0 CAADHN CN(C)CCOCCN1C(=O)[C@@H]2C[C@@H](O)CN2C1=O ZINC000761645862 582147963 /nfs/dbraw/zinc/14/79/63/582147963.db2.gz AJZRZNJSKKFCOY-ZJUUUORDSA-N 0 3 271.317 -1.038 20 0 CAADHN CCNS(=O)(=O)CCNC(=O)NCCN(C)C ZINC000762422966 582148118 /nfs/dbraw/zinc/14/81/18/582148118.db2.gz DUOVCQNBSYVHGF-UHFFFAOYSA-N 0 3 266.367 -1.214 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CCN2CCOCC2)C1 ZINC000762720027 582148268 /nfs/dbraw/zinc/14/82/68/582148268.db2.gz UBWKRXYMQQSWJX-ZDUSSCGKSA-N 0 3 271.361 -1.109 20 0 CAADHN Cn1cc([C@H](O)CNC(=O)[C@H]2CN3CCN2CCC3)cn1 ZINC000764370235 582149137 /nfs/dbraw/zinc/14/91/37/582149137.db2.gz SOIXPWQNHIIZNU-CHWSQXEVSA-N 0 3 293.371 -1.040 20 0 CAADHN COC[C@H](NC(=O)[C@H]1CN2CCN1CCC2)C(N)=O ZINC000765288717 582149861 /nfs/dbraw/zinc/14/98/61/582149861.db2.gz UBBKENBLAIATCE-VHSXEESVSA-N 0 3 270.333 -2.007 20 0 CAADHN COC[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)C(N)=O ZINC000765288718 582149990 /nfs/dbraw/zinc/14/99/90/582149990.db2.gz UBBKENBLAIATCE-ZJUUUORDSA-N 0 3 270.333 -2.007 20 0 CAADHN CN(C)CCOCCNC(=O)NCCS(C)(=O)=O ZINC000771139016 582152733 /nfs/dbraw/zinc/15/27/33/582152733.db2.gz CSUMFCZSOOVWMD-UHFFFAOYSA-N 0 3 281.378 -1.092 20 0 CAADHN CCS(=O)(=O)NCCOC(=O)C1CCN(C)C1=O ZINC000772510817 582153364 /nfs/dbraw/zinc/15/33/64/582153364.db2.gz VPCJBDWKGLMFJJ-MRVPVSSYSA-N 0 3 278.330 -1.053 20 0 CAADHN C[C@@H](OC(=O)C1CCN(C)C1=O)C(=O)N1CCNC1=O ZINC000772504975 582153431 /nfs/dbraw/zinc/15/34/31/582153431.db2.gz AFNRTGWWNSAVGZ-HTQZYQBOSA-N 0 3 283.284 -1.052 20 0 CAADHN CNS(=O)(=O)CCCOC(=O)C1CCN(C)C1=O ZINC000772517435 582153527 /nfs/dbraw/zinc/15/35/27/582153527.db2.gz IFJOALZSTDRPGQ-MRVPVSSYSA-N 0 3 278.330 -1.053 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000772534066 582153558 /nfs/dbraw/zinc/15/35/58/582153558.db2.gz SCENPMHRZHLVLI-NKWVEPMBSA-N 0 3 271.273 -1.148 20 0 CAADHN COC(=O)CNC(=O)[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000772511679 582153597 /nfs/dbraw/zinc/15/35/97/582153597.db2.gz MFBBVXQKFQIIMK-YUMQZZPRSA-N 0 3 286.284 -1.314 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCOCC1 ZINC000774178056 582154510 /nfs/dbraw/zinc/15/45/10/582154510.db2.gz IPVUCBNBWKNDGS-NWDGAFQWSA-N 0 3 297.355 -1.175 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)NCC[S@](C)=O ZINC000774429073 582154690 /nfs/dbraw/zinc/15/46/90/582154690.db2.gz JHPJRSKZSDIZHR-SFHVURJKSA-N 0 3 277.390 -1.061 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1C[C@H](O)C[C@H]1CO ZINC000776134829 582155437 /nfs/dbraw/zinc/15/54/37/582155437.db2.gz IXQVWHHDDCWZGR-WUHRBBMRSA-N 0 3 299.371 -1.013 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1C[C@H](O)C[C@H]1CO ZINC000776134831 582155510 /nfs/dbraw/zinc/15/55/10/582155510.db2.gz IXQVWHHDDCWZGR-YVECIDJPSA-N 0 3 299.371 -1.013 20 0 CAADHN O=C1[N-]C(=O)N2CCN(C[C@@H](O)C[NH+]3CCCC3)C[C@@H]12 ZINC000778952948 582156942 /nfs/dbraw/zinc/15/69/42/582156942.db2.gz IGWMNJYRYJPGJA-QWRGUYRKSA-N 0 3 282.344 -1.321 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NN2CCCNC2=O)CC1=O ZINC000779446776 582157397 /nfs/dbraw/zinc/15/73/97/582157397.db2.gz RFGKBEXGKAMPAF-SNVBAGLBSA-N 0 3 297.359 -1.157 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N1CCNC(=O)C1)N1CCCCC1 ZINC000793714364 582163928 /nfs/dbraw/zinc/16/39/28/582163928.db2.gz QKANWAAUMBBBIT-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@H](CNC(=O)C(=O)N1CCNC(=O)C1)N1CCCCC1 ZINC000793714363 582163957 /nfs/dbraw/zinc/16/39/57/582163957.db2.gz QKANWAAUMBBBIT-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN NC(=O)C1=NO[C@@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000793902576 582164216 /nfs/dbraw/zinc/16/42/16/582164216.db2.gz MTRYUWGIUFWBAH-MWLCHTKSSA-N 0 3 295.343 -1.877 20 0 CAADHN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000793939619 582164309 /nfs/dbraw/zinc/16/43/09/582164309.db2.gz XINGDIOGGQMMIM-SNVBAGLBSA-N 0 3 296.371 -1.114 20 0 CAADHN COC(=O)[C@H]1[C@@H]2CN(CCC(=O)NC(N)=O)C[C@@H]21 ZINC000794986225 582165385 /nfs/dbraw/zinc/16/53/85/582165385.db2.gz WWRGZNBGOOJRBL-QMSLJYSESA-N 0 3 255.274 -1.078 20 0 CAADHN CN(CCO)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804061229 582168611 /nfs/dbraw/zinc/16/86/11/582168611.db2.gz SUGBDCZRYUNIDV-QWRGUYRKSA-N 0 3 285.344 -1.584 20 0 CAADHN C[C@@H](CO)N(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804056230 582168621 /nfs/dbraw/zinc/16/86/21/582168621.db2.gz QSUQKLXFAPXYNM-QJPTWQEYSA-N 0 3 299.371 -1.195 20 0 CAADHN CN(CCCO)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804055848 582168633 /nfs/dbraw/zinc/16/86/33/582168633.db2.gz OZHZQLDZMPIRPA-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(CCCO)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804055843 582168674 /nfs/dbraw/zinc/16/86/74/582168674.db2.gz OZHZQLDZMPIRPA-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@@H](CO)N(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804056237 582168678 /nfs/dbraw/zinc/16/86/78/582168678.db2.gz QSUQKLXFAPXYNM-TUAOUCFPSA-N 0 3 299.371 -1.195 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CCOC1 ZINC000804058707 582168730 /nfs/dbraw/zinc/16/87/30/582168730.db2.gz IKWADQQNBAXRBV-QJPTWQEYSA-N 0 3 297.355 -1.129 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H]1CCOC1 ZINC000804058702 582168751 /nfs/dbraw/zinc/16/87/51/582168751.db2.gz IKWADQQNBAXRBV-GRYCIOLGSA-N 0 3 297.355 -1.129 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ncnn1C ZINC000806571654 582169205 /nfs/dbraw/zinc/16/92/05/582169205.db2.gz XWNWJHFHTAKZSU-LURJTMIESA-N 0 3 259.291 -1.278 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CCC1 ZINC000806571051 582169227 /nfs/dbraw/zinc/16/92/27/582169227.db2.gz PLRDDCXOJBRELG-SSDOTTSWSA-N 0 3 261.303 -1.374 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)NCc1cnn(C)n1 ZINC000807568504 582169335 /nfs/dbraw/zinc/16/93/35/582169335.db2.gz XWNUZKIYAUIGKR-LLVKDONJSA-N 0 3 270.337 -1.073 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCn2cnnn2)CC1=O ZINC000807919133 582169462 /nfs/dbraw/zinc/16/94/62/582169462.db2.gz PWZKCUQNAYMVFH-JTQLQIEISA-N 0 3 295.347 -1.801 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)O[C@H]2CNOC2)CC1=O ZINC000808089900 582169751 /nfs/dbraw/zinc/16/97/51/582169751.db2.gz SMJOFCLLDVOMML-ZJUUUORDSA-N 0 3 271.317 -1.157 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000808175432 582169965 /nfs/dbraw/zinc/16/99/65/582169965.db2.gz VBMKSJIUNXOUFG-ZJUUUORDSA-N 0 3 257.334 -1.107 20 0 CAADHN NC(=O)CSCC(=O)N[C@H](CO)CN1CCCC1 ZINC000808220136 582170059 /nfs/dbraw/zinc/17/00/59/582170059.db2.gz YMIVFIHYLZXDQK-VIFPVBQESA-N 0 3 275.374 -1.222 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@H](CO)CN2CCCC2)C1=O ZINC000808220628 582170094 /nfs/dbraw/zinc/17/00/94/582170094.db2.gz KVNVLTBFKJIQOA-JTQLQIEISA-N 0 3 298.343 -1.547 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)[C@@H]2C1 ZINC000814143892 582172579 /nfs/dbraw/zinc/17/25/79/582172579.db2.gz CFEUCUGWSCQCDS-GXSJLCMTSA-N 0 3 292.339 -1.140 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCc2cnnn2C)CC1=O ZINC000813792512 582172642 /nfs/dbraw/zinc/17/26/42/582172642.db2.gz AAVBCVCVPHHMHF-SNVBAGLBSA-N 0 3 294.359 -1.159 20 0 CAADHN COC(=O)[C@H]1[C@@H]2CN(Cc3cn(C)c(=O)n(C)c3=O)C[C@@H]21 ZINC000814174031 582172717 /nfs/dbraw/zinc/17/27/17/582172717.db2.gz WHKZZRWGRPMCOO-URLYPYJESA-N 0 3 293.323 -1.065 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000816618353 582174283 /nfs/dbraw/zinc/17/42/83/582174283.db2.gz VOOHPQOTZGUEGI-ZJUUUORDSA-N 0 3 295.343 -1.199 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000816618351 582174365 /nfs/dbraw/zinc/17/43/65/582174365.db2.gz VOOHPQOTZGUEGI-UWVGGRQHSA-N 0 3 295.343 -1.199 20 0 CAADHN CCN1CCN(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000816974954 582174946 /nfs/dbraw/zinc/17/49/46/582174946.db2.gz VGWPLOSACSDRBB-JTQLQIEISA-N 0 3 297.359 -1.662 20 0 CAADHN CCNCC(=O)NCCn1cc(C(=O)OC)nn1 ZINC000818606058 582176328 /nfs/dbraw/zinc/17/63/28/582176328.db2.gz XSRJEXRRIYMUKL-UHFFFAOYSA-N 0 3 255.278 -1.210 20 0 CAADHN CON(C)C(=O)CCNCCNS(C)(=O)=O ZINC000818949054 582176974 /nfs/dbraw/zinc/17/69/74/582176974.db2.gz YARHDAJAKJJTRC-UHFFFAOYSA-N 0 3 253.324 -1.465 20 0 CAADHN CCNS(=O)(=O)CCNC[C@@H](O)Cn1cccn1 ZINC000819042097 582177138 /nfs/dbraw/zinc/17/71/38/582177138.db2.gz DZXKWGHVVGRMJC-SNVBAGLBSA-N 0 3 276.362 -1.227 20 0 CAADHN CCOC(=O)CC[C@H](O)CNC[C@@H]1CC(C(N)=O)=NO1 ZINC000819252409 582177441 /nfs/dbraw/zinc/17/74/41/582177441.db2.gz GZHDOJBLUIIMNF-IUCAKERBSA-N 0 3 287.316 -1.090 20 0 CAADHN CNS(=O)(=O)CCNCCC(=O)N(C)OC ZINC000819253864 582177480 /nfs/dbraw/zinc/17/74/80/582177480.db2.gz KAWCVMQADXAWGG-UHFFFAOYSA-N 0 3 253.324 -1.465 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000819837717 582178270 /nfs/dbraw/zinc/17/82/70/582178270.db2.gz QIYMNTMPTUUXPN-VHSXEESVSA-N 0 3 293.389 -1.503 20 0 CAADHN C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@H]1CN2CCN1CCC2 ZINC000820539082 582180198 /nfs/dbraw/zinc/18/01/98/582180198.db2.gz FTQPQWBLDKCNLU-GFCCVEGCSA-N 0 3 298.387 -1.149 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CN2CCOC2=O)C1 ZINC000821954934 582183714 /nfs/dbraw/zinc/18/37/14/582183714.db2.gz JMAPVGDJZRWHSG-LLVKDONJSA-N 0 3 257.290 -1.379 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CN2CCOC2=O)C1 ZINC000821954937 582183767 /nfs/dbraw/zinc/18/37/67/582183767.db2.gz JMAPVGDJZRWHSG-NSHDSACASA-N 0 3 257.290 -1.379 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)C[C@@]1(O)CCCN(C)C1 ZINC000822543209 582184263 /nfs/dbraw/zinc/18/42/63/582184263.db2.gz QAKAVLHZOQLXBY-FOGDFJRCSA-N 0 3 260.334 -1.309 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)C1CN(C)CCN(C)C1 ZINC000822542399 582184276 /nfs/dbraw/zinc/18/42/76/582184276.db2.gz AGSVBERILQZSKW-MWLCHTKSSA-N 0 3 259.350 -1.662 20 0 CAADHN Cn1cc(-c2nc(N3CCNCC3)no2)c(=O)n(C)c1=O ZINC000823335853 582185523 /nfs/dbraw/zinc/18/55/23/582185523.db2.gz ZURXBKPIOCKPNE-UHFFFAOYSA-N 0 3 292.299 -1.456 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H](CN(C)C)C(C)C ZINC000823306383 582185618 /nfs/dbraw/zinc/18/56/18/582185618.db2.gz SVWYFBXTPNSKNQ-VIFPVBQESA-N 0 3 280.394 -1.257 20 0 CAADHN COC(OC)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000824175115 582186529 /nfs/dbraw/zinc/18/65/29/582186529.db2.gz NUGNZRHSQQUHCN-UHFFFAOYSA-N 0 3 273.333 -1.162 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC(=O)NC(=O)N1 ZINC000824740323 582187135 /nfs/dbraw/zinc/18/71/35/582187135.db2.gz DEDVUKKDBBUFHE-UTLUCORTSA-N 0 3 296.327 -1.436 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)NC1=O ZINC000824733892 582187187 /nfs/dbraw/zinc/18/71/87/582187187.db2.gz SPMNBPVGUZRIHU-OUAUKWLOSA-N 0 3 282.344 -1.011 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC(=O)NC(=O)N1 ZINC000824740320 582187258 /nfs/dbraw/zinc/18/72/58/582187258.db2.gz DEDVUKKDBBUFHE-BBBLOLIVSA-N 0 3 296.327 -1.436 20 0 CAADHN CN(CC(=O)N1CCN(C)CC1)C(=O)C1=NC(=O)N(C)C1 ZINC000825291828 582188308 /nfs/dbraw/zinc/18/83/08/582188308.db2.gz BUHDSGLWWJZLBW-UHFFFAOYSA-N 0 3 295.343 -1.028 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000825939167 582189525 /nfs/dbraw/zinc/18/95/25/582189525.db2.gz URZYMPAIOYTGRH-CYBMUJFWSA-N 0 3 286.351 -1.080 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000826697421 582191573 /nfs/dbraw/zinc/19/15/73/582191573.db2.gz AMGDBLNCQXDXKR-ZDUSSCGKSA-N 0 3 286.351 -1.032 20 0 CAADHN CC(C)N1CCC[C@H]1C(=O)N1CC(NS(N)(=O)=O)C1 ZINC000827344621 582192225 /nfs/dbraw/zinc/19/22/25/582192225.db2.gz KPLWIDLVZRBGNY-JTQLQIEISA-N 0 3 290.389 -1.137 20 0 CAADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCNC1=O)N1CCCCC1 ZINC000827320378 582192234 /nfs/dbraw/zinc/19/22/34/582192234.db2.gz KDLKOUQSCXDVGD-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CC(C)N1CCC[C@H]1C(=O)N1CC(O)(C(N)=O)C1 ZINC000827358368 582192251 /nfs/dbraw/zinc/19/22/51/582192251.db2.gz DEWAXCFAINAIKO-VIFPVBQESA-N 0 3 255.318 -1.082 20 0 CAADHN CC(C)N1CCC[C@@H]1C(=O)N1CC(NS(N)(=O)=O)C1 ZINC000827344622 582192256 /nfs/dbraw/zinc/19/22/56/582192256.db2.gz KPLWIDLVZRBGNY-SNVBAGLBSA-N 0 3 290.389 -1.137 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827591364 582193048 /nfs/dbraw/zinc/19/30/48/582193048.db2.gz RIVDDUCRFKLIMQ-UTUOFQBUSA-N 0 3 269.345 -1.670 20 0 CAADHN O=C(CN1CCNCC1=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000827935837 582193620 /nfs/dbraw/zinc/19/36/20/582193620.db2.gz BHGDHCKHTYBBQH-NWDGAFQWSA-N 0 3 296.371 -1.602 20 0 CAADHN CC[C@@H](N)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000827985593 582193966 /nfs/dbraw/zinc/19/39/66/582193966.db2.gz QQRUYTVLTJBBFK-SECBINFHSA-N 0 3 279.362 -1.498 20 0 CAADHN CCN(OC)C(=O)CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000828171083 582194437 /nfs/dbraw/zinc/19/44/37/582194437.db2.gz XQTIWAYNAAGMKN-GFCCVEGCSA-N 0 3 288.348 -1.238 20 0 CAADHN CN(CCS(C)(=O)=O)C(=O)CCOC1CNC1 ZINC000828537083 582195327 /nfs/dbraw/zinc/19/53/27/582195327.db2.gz VBCCHBVSWNZVQI-UHFFFAOYSA-N 0 3 264.347 -1.132 20 0 CAADHN O=C(NCCCN1C(=O)CNC1=O)[C@@]1(F)CCNC1 ZINC000828978910 582196331 /nfs/dbraw/zinc/19/63/31/582196331.db2.gz ZWFNRIBXQPIYOG-LLVKDONJSA-N 0 3 272.280 -1.254 20 0 CAADHN CC1(C(N)=O)CN(CCCN2CC(C)(C(N)=O)C2)C1 ZINC000829070537 582196488 /nfs/dbraw/zinc/19/64/88/582196488.db2.gz VNDKDRIOYLLIGQ-UHFFFAOYSA-N 0 3 268.361 -1.009 20 0 CAADHN CCNS(=O)(=O)CCNC(=O)CNC[C@H]1CCCO1 ZINC000829087519 582196676 /nfs/dbraw/zinc/19/66/76/582196676.db2.gz ZMRZSMLGAAENPL-SNVBAGLBSA-N 0 3 293.389 -1.190 20 0 CAADHN CN(CCNC(=O)[C@H]1CCC(=O)N1C)CCOCCO ZINC000829445386 582196896 /nfs/dbraw/zinc/19/68/96/582196896.db2.gz WQTMWFMRCOEITA-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN CN(CCO)CCNC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000829749613 582197090 /nfs/dbraw/zinc/19/70/90/582197090.db2.gz KQKUBHHCWPMHBT-NSHDSACASA-N 0 3 293.389 -1.501 20 0 CAADHN CCOC(=O)C(=O)N1CCN(C(=O)C(C)(C)N)CC1 ZINC000829839464 582197462 /nfs/dbraw/zinc/19/74/62/582197462.db2.gz ZPBPLSASSURAND-UHFFFAOYSA-N 0 3 271.317 -1.042 20 0 CAADHN CCOC(=O)C(=O)N1CCN(C(=O)[C@H](N)CC)CC1 ZINC000829839110 582197464 /nfs/dbraw/zinc/19/74/64/582197464.db2.gz SIIBRXCAWLONHO-SECBINFHSA-N 0 3 271.317 -1.042 20 0 CAADHN COC(=O)C1(O)CN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000829960906 582197845 /nfs/dbraw/zinc/19/78/45/582197845.db2.gz LYGZVBPEFWJUGT-JTQLQIEISA-N 0 3 283.328 -1.877 20 0 CAADHN COC(=O)C1(O)CN(C(=O)c2cnn(CCN(C)C)c2)C1 ZINC000829978246 582198004 /nfs/dbraw/zinc/19/80/04/582198004.db2.gz SPXKCCSTRBJHJA-UHFFFAOYSA-N 0 3 296.327 -1.195 20 0 CAADHN O=C(N1CCN2C(=O)NC[C@@H]2C1)[C@]1(F)CCNC1 ZINC000831077145 582200317 /nfs/dbraw/zinc/20/03/17/582200317.db2.gz GMIBQHYZNBJJBT-KCJUWKMLSA-N 0 3 256.281 -1.076 20 0 CAADHN O=C(N1CCN2C(=O)NC[C@@H]2C1)[C@@]1(F)CCNC1 ZINC000831077149 582200358 /nfs/dbraw/zinc/20/03/58/582200358.db2.gz GMIBQHYZNBJJBT-LDYMZIIASA-N 0 3 256.281 -1.076 20 0 CAADHN O=C(N1CCN2C(=O)NC[C@H]2C1)[C@]1(F)CCNC1 ZINC000831077147 582200365 /nfs/dbraw/zinc/20/03/65/582200365.db2.gz GMIBQHYZNBJJBT-KWQFWETISA-N 0 3 256.281 -1.076 20 0 CAADHN NS(=O)(=O)[C@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000831412757 582202035 /nfs/dbraw/zinc/20/20/35/582202035.db2.gz XJXIOIJXZJTQLP-IONNQARKSA-N 0 3 265.310 -1.423 20 0 CAADHN CCO[C@H](CNC(=O)Cn1nc(C)n(C)c1=O)CN(C)C ZINC000831707540 582203143 /nfs/dbraw/zinc/20/31/43/582203143.db2.gz HHOYSBSZJWNDLU-LLVKDONJSA-N 0 3 299.375 -1.027 20 0 CAADHN CCO[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)CN(C)C ZINC000831708337 582203167 /nfs/dbraw/zinc/20/31/67/582203167.db2.gz RBIIBIBRAKFXHH-VHSXEESVSA-N 0 3 293.389 -1.239 20 0 CAADHN CCO[C@H](CNC(=O)CN1CCNC(=O)C1)CN(C)C ZINC000831703078 582203184 /nfs/dbraw/zinc/20/31/84/582203184.db2.gz QJQTVWJKSRCBDO-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN CCO[C@H](CNC(=O)Cn1ncn(C)c1=O)CN(C)C ZINC000831730937 582203282 /nfs/dbraw/zinc/20/32/82/582203282.db2.gz JHXAVXPQJSWZHU-SNVBAGLBSA-N 0 3 285.348 -1.335 20 0 CAADHN CCO[C@H](CNC(=O)CNS(=O)(=O)NC)CN(C)C ZINC000831717359 582203310 /nfs/dbraw/zinc/20/33/10/582203310.db2.gz AGUWECZQLKRYPD-SECBINFHSA-N 0 3 296.393 -1.877 20 0 CAADHN CCO[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)CN(C)C ZINC000831719842 582203350 /nfs/dbraw/zinc/20/33/50/582203350.db2.gz VINCBXILQYDLGZ-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN CCO[C@@H](CNC(=O)CS(=O)(=O)N(C)C)CN(C)C ZINC000831730280 582203377 /nfs/dbraw/zinc/20/33/77/582203377.db2.gz ALFVJKARNKXYLQ-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN CCO[C@H](CNC(=O)CN1CCOCC1=O)CN(C)C ZINC000831725349 582203401 /nfs/dbraw/zinc/20/34/01/582203401.db2.gz YZZCRTWTFMJDSF-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN CCO[C@@H](CNC(=O)CNS(=O)(=O)NC)CN(C)C ZINC000831717360 582203430 /nfs/dbraw/zinc/20/34/30/582203430.db2.gz AGUWECZQLKRYPD-VIFPVBQESA-N 0 3 296.393 -1.877 20 0 CAADHN CCO[C@H](CNC(=O)CNC(=O)NC)CN(C)C ZINC000831739231 582203524 /nfs/dbraw/zinc/20/35/24/582203524.db2.gz ULKZSIFZHQLQPZ-SECBINFHSA-N 0 3 260.338 -1.002 20 0 CAADHN NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@]1(F)CCNC1 ZINC000831927111 582203914 /nfs/dbraw/zinc/20/39/14/582203914.db2.gz FZMZIZPQDQZLEI-PSASIEDQSA-N 0 3 279.337 -1.033 20 0 CAADHN CN(C)CCCS(=O)(=O)NN1CC(=O)N(C)C1=O ZINC000867075222 582203968 /nfs/dbraw/zinc/20/39/68/582203968.db2.gz IAEGTQVHKJSBFN-UHFFFAOYSA-N 0 3 278.334 -1.334 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000832097039 582204039 /nfs/dbraw/zinc/20/40/39/582204039.db2.gz UUWFTSVBZPZFTL-GZMMTYOYSA-N 0 3 259.281 -1.339 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000832097042 582204112 /nfs/dbraw/zinc/20/41/12/582204112.db2.gz UUWFTSVBZPZFTL-LDYMZIIASA-N 0 3 259.281 -1.339 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000832097041 582204139 /nfs/dbraw/zinc/20/41/39/582204139.db2.gz UUWFTSVBZPZFTL-KWQFWETISA-N 0 3 259.281 -1.339 20 0 CAADHN COC(=O)c1cn(CCNC(=O)[C@]2(F)CCNC2)nn1 ZINC000832182881 582204222 /nfs/dbraw/zinc/20/42/22/582204222.db2.gz PCCHGFPVPWMMPK-NSHDSACASA-N 0 3 285.279 -1.118 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000832302664 582204362 /nfs/dbraw/zinc/20/43/62/582204362.db2.gz SPLREDZJWOOUHK-QMMMGPOBSA-N 0 3 272.305 -1.985 20 0 CAADHN O=C(CNC(=O)[C@@]1(F)CCNC1)N1CCNCC1 ZINC000832410238 582204502 /nfs/dbraw/zinc/20/45/02/582204502.db2.gz SXDGIYBSHLIYES-LLVKDONJSA-N 0 3 258.297 -1.764 20 0 CAADHN COCCNCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000834408942 582210338 /nfs/dbraw/zinc/21/03/38/582210338.db2.gz YBIFIFNPLNYIGP-UHFFFAOYSA-N 0 3 284.316 -1.950 20 0 CAADHN CC(C)OCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000842153753 582212607 /nfs/dbraw/zinc/21/26/07/582212607.db2.gz OYWXBKKICSLVPG-LLVKDONJSA-N 0 3 286.376 -1.371 20 0 CAADHN O=C(NC[C@H]1CNCCO1)c1[nH]nc2c1CNCC2 ZINC000842511869 582212914 /nfs/dbraw/zinc/21/29/14/582212914.db2.gz ZPHJIWBYVAPFDY-MRVPVSSYSA-N 0 3 265.317 -1.226 20 0 CAADHN CON(C)C(=O)CCN[C@H]1CCCN(CCO)C1=O ZINC000843104746 582213669 /nfs/dbraw/zinc/21/36/69/582213669.db2.gz KRQATKVGNLIQQN-JTQLQIEISA-N 0 3 273.333 -1.031 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@]2(F)CCNC2)O1 ZINC000843449006 582214295 /nfs/dbraw/zinc/21/42/95/582214295.db2.gz GPLGCAWJKVIFPR-FYBVGQRMSA-N 0 3 259.281 -1.163 20 0 CAADHN C[C@@H]1NCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC000843473781 582214573 /nfs/dbraw/zinc/21/45/73/582214573.db2.gz MBAFKADMZAUDKK-IUCAKERBSA-N 0 3 280.328 -1.094 20 0 CAADHN C[C@H]1NCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1C ZINC000843473782 582214610 /nfs/dbraw/zinc/21/46/10/582214610.db2.gz MBAFKADMZAUDKK-RKDXNWHRSA-N 0 3 280.328 -1.094 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000843473780 582214644 /nfs/dbraw/zinc/21/46/44/582214644.db2.gz MBAFKADMZAUDKK-DTWKUNHWSA-N 0 3 280.328 -1.094 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1COC(=O)N1 ZINC000844040785 582215728 /nfs/dbraw/zinc/21/57/28/582215728.db2.gz WHUKCDAXPZHXDB-BDAKNGLRSA-N 0 3 284.316 -1.327 20 0 CAADHN CCN(OC)C(=O)CNC(=O)C(C)S(C)(=O)=O ZINC000844069359 582215881 /nfs/dbraw/zinc/21/58/81/582215881.db2.gz BCHWEVQOAWAIMB-SSDOTTSWSA-N 0 3 266.319 -1.054 20 0 CAADHN CCN(OC)C(=O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000844067489 582215927 /nfs/dbraw/zinc/21/59/27/582215927.db2.gz OVUPIELKHMFSOR-LLVKDONJSA-N 0 3 284.360 -1.098 20 0 CAADHN CCNCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000844186750 582216267 /nfs/dbraw/zinc/21/62/67/582216267.db2.gz SFVCIPXMSPMVLK-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CCNCC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000844172144 582216310 /nfs/dbraw/zinc/21/63/10/582216310.db2.gz ZKRIDMWNKOQXJW-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN CCNCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000844186751 582216317 /nfs/dbraw/zinc/21/63/17/582216317.db2.gz SFVCIPXMSPMVLK-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CCNCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000844167498 582216323 /nfs/dbraw/zinc/21/63/23/582216323.db2.gz AHUFJFJESUUCIQ-UHFFFAOYSA-N 0 3 298.387 -1.401 20 0 CAADHN CCNCC(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000844167113 582216336 /nfs/dbraw/zinc/21/63/36/582216336.db2.gz PPWZORAQLCOKGP-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN CN(C)CCN1CCN([C@@H]2CCC(=O)NC2=O)CC1=O ZINC000844377359 582216652 /nfs/dbraw/zinc/21/66/52/582216652.db2.gz XEYGPCDWPQSIMI-SNVBAGLBSA-N 0 3 282.344 -1.503 20 0 CAADHN Cc1nn(CN2CCN(CCN(C)C)C(=O)C2)c(=O)n1C ZINC000844718452 582216972 /nfs/dbraw/zinc/21/69/72/582216972.db2.gz GXBYTGFOKSMAPB-UHFFFAOYSA-N 0 3 296.375 -1.446 20 0 CAADHN CN(C)CCN1CCN(Cn2ncn(C)c2=O)CC1=O ZINC000844714999 582217013 /nfs/dbraw/zinc/21/70/13/582217013.db2.gz SBKVDAGWGMSMHU-UHFFFAOYSA-N 0 3 282.348 -1.755 20 0 CAADHN CC(CO)(CO)NC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000844954383 582217282 /nfs/dbraw/zinc/21/72/82/582217282.db2.gz PUYFFEZSMQAFAY-QWRGUYRKSA-N 0 3 287.360 -1.108 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)c1cn(C)nn1 ZINC000845313262 582217837 /nfs/dbraw/zinc/21/78/37/582217837.db2.gz UNCPOWFRUSHZCN-LURJTMIESA-N 0 3 287.301 -1.595 20 0 CAADHN CCON(C)C(=O)CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000845561826 582219400 /nfs/dbraw/zinc/21/94/00/582219400.db2.gz YGFDWMBCJBXLBE-GFCCVEGCSA-N 0 3 288.348 -1.238 20 0 CAADHN CCN1CCN(CCC(=O)NCCn2cnnn2)CC1 ZINC000845800732 582219920 /nfs/dbraw/zinc/21/99/20/582219920.db2.gz CJNLOGVIRKQQPI-UHFFFAOYSA-N 0 3 281.364 -1.183 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000846341976 582221341 /nfs/dbraw/zinc/22/13/41/582221341.db2.gz HENJXZVEIWRXHF-GXSJLCMTSA-N 0 3 295.343 -1.217 20 0 CAADHN CN(C)CCN1CCN(C(=O)CC2OCCO2)CC1=O ZINC000846357387 582221370 /nfs/dbraw/zinc/22/13/70/582221370.db2.gz QYYIOXQOIDVHSD-UHFFFAOYSA-N 0 3 285.344 -1.018 20 0 CAADHN C[C@@H](COCC1CC1)NC(=O)C(=O)N(CCN)CCO ZINC000846347467 582221384 /nfs/dbraw/zinc/22/13/84/582221384.db2.gz OETOHOKCAVMZRL-JTQLQIEISA-N 0 3 287.360 -1.303 20 0 CAADHN C[C@H](COCC1CC1)NC(=O)C(=O)N(CCN)CCO ZINC000846347469 582221390 /nfs/dbraw/zinc/22/13/90/582221390.db2.gz OETOHOKCAVMZRL-SNVBAGLBSA-N 0 3 287.360 -1.303 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2COC(=O)N2)CC1=O ZINC000846361509 582221538 /nfs/dbraw/zinc/22/15/38/582221538.db2.gz FGBAWZHKLDJPTL-SECBINFHSA-N 0 3 284.316 -1.673 20 0 CAADHN C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000846358132 582221547 /nfs/dbraw/zinc/22/15/47/582221547.db2.gz VXTWFAOOUMXQKP-ONGXEEELSA-N 0 3 298.343 -1.284 20 0 CAADHN CCON(C)C(=O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000846504658 582222117 /nfs/dbraw/zinc/22/21/17/582222117.db2.gz QHYPTMVSFVMWLK-LLVKDONJSA-N 0 3 284.360 -1.098 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN1CCC[C@H]1C ZINC000846638947 582222712 /nfs/dbraw/zinc/22/27/12/582222712.db2.gz OAHYOHPPNAXARE-SECBINFHSA-N 0 3 278.378 -1.359 20 0 CAADHN O=C1C[C@@H](NCCN2CCOCC2)C(=O)N1CCCO ZINC000846701541 582222966 /nfs/dbraw/zinc/22/29/66/582222966.db2.gz CCOXKIKDNUXAQA-LLVKDONJSA-N 0 3 285.344 -1.582 20 0 CAADHN CS(=O)(=O)N1CC[C@H](NC(=O)[C@@]2(F)CCNC2)C1 ZINC000846689727 582223046 /nfs/dbraw/zinc/22/30/46/582223046.db2.gz CWHFPEDSZLTOHK-WCBMZHEXSA-N 0 3 279.337 -1.162 20 0 CAADHN O=C1C[C@H](NCCn2cccn2)C(=O)N1CCCO ZINC000846704533 582223237 /nfs/dbraw/zinc/22/32/37/582223237.db2.gz UWDSIOLFYMSXIA-JTQLQIEISA-N 0 3 266.301 -1.017 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCCNC(=O)C1 ZINC000846795533 582223484 /nfs/dbraw/zinc/22/34/84/582223484.db2.gz RFBHOOMJOYEQGU-LLVKDONJSA-N 0 3 259.350 -1.253 20 0 CAADHN NS(=O)(=O)c1ccc(CCNC(CO)CO)cc1 ZINC000846943382 582223512 /nfs/dbraw/zinc/22/35/12/582223512.db2.gz YQHDSCPHRVNTBG-UHFFFAOYSA-N 0 3 274.342 -1.181 20 0 CAADHN O=C1CC[C@H](N2CCN3C[C@H](O)C[C@H]3C2)C(=O)N1 ZINC000847042594 582223690 /nfs/dbraw/zinc/22/36/90/582223690.db2.gz CMJHUMSTLFUGBE-AEJSXWLSSA-N 0 3 253.302 -1.458 20 0 CAADHN COC(=O)NCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847382933 582224324 /nfs/dbraw/zinc/22/43/24/582224324.db2.gz YSHBKCOKDTXQHV-VHSXEESVSA-N 0 3 286.332 -1.197 20 0 CAADHN CN(C)CCn1ccc(C(=O)NCCn2cnnn2)n1 ZINC000847572528 582224537 /nfs/dbraw/zinc/22/45/37/582224537.db2.gz KJGQIPWQLIUMSW-UHFFFAOYSA-N 0 3 278.320 -1.139 20 0 CAADHN C[C@H]1OC(=O)N[C@@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848305853 582226256 /nfs/dbraw/zinc/22/62/56/582226256.db2.gz ITCIXWYJLMTJHH-RGOKHQFPSA-N 0 3 269.301 -1.239 20 0 CAADHN C[C@@H]1OC(=O)N[C@@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848305852 582226261 /nfs/dbraw/zinc/22/62/61/582226261.db2.gz ITCIXWYJLMTJHH-QEYWKRMJSA-N 0 3 269.301 -1.239 20 0 CAADHN CN(C)CCONC(=O)CCn1ncn(C)c1=O ZINC000848386167 582226293 /nfs/dbraw/zinc/22/62/93/582226293.db2.gz JXNFNIXKXROUCC-UHFFFAOYSA-N 0 3 257.294 -1.419 20 0 CAADHN COC(=O)NCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848307296 582226315 /nfs/dbraw/zinc/22/63/15/582226315.db2.gz FVRGJUTXQGUTPX-DTWKUNHWSA-N 0 3 257.290 -1.380 20 0 CAADHN O=C([C@H]1COC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306756 582226339 /nfs/dbraw/zinc/22/63/39/582226339.db2.gz IZFCMZIGCGTJRL-DJLDLDEBSA-N 0 3 255.274 -1.628 20 0 CAADHN COC[C@@H](NC(=O)N[C@@H](CN)C(F)(F)F)C(N)=O ZINC000848597846 582226606 /nfs/dbraw/zinc/22/66/06/582226606.db2.gz DQJHRNUZSXQOQJ-UHNVWZDZSA-N 0 3 272.227 -1.325 20 0 CAADHN NC[C@@H](NC(=O)NC[C@H]1CC(C(N)=O)=NO1)C(F)(F)F ZINC000848599305 582226658 /nfs/dbraw/zinc/22/66/58/582226658.db2.gz YGQKSTMVBNAQLW-INEUFUBQSA-N 0 3 297.237 -1.195 20 0 CAADHN COCCN(C)C[C@@H](O)CN1C(=O)N[C@@H](C)C1=O ZINC000848675120 582226843 /nfs/dbraw/zinc/22/68/43/582226843.db2.gz REMGIUGUCGOGDK-DTWKUNHWSA-N 0 3 259.306 -1.134 20 0 CAADHN CC1=C([O-])N(C)S(=O)(=O)N1C[C@@H]1C[NH2+]CCO1 ZINC000849240686 582227635 /nfs/dbraw/zinc/22/76/35/582227635.db2.gz SFMZZSWVJQSFQH-SFYZADRCSA-N 0 3 263.319 -1.618 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC[C@H]1CCNC1=O ZINC000849895604 582228093 /nfs/dbraw/zinc/22/80/93/582228093.db2.gz KULKSQWDGJHACK-HTQZYQBOSA-N 0 3 275.330 -1.080 20 0 CAADHN COC(=O)N(C)CCNC(=O)NC[C@H]1CNCCO1 ZINC000851666023 582228938 /nfs/dbraw/zinc/22/89/38/582228938.db2.gz FDMMWUMSZJOKSC-SECBINFHSA-N 0 3 274.321 -1.028 20 0 CAADHN COC(=O)N(C)CCNC(=O)NC[C@@H]1CNCCO1 ZINC000851666038 582228982 /nfs/dbraw/zinc/22/89/82/582228982.db2.gz FDMMWUMSZJOKSC-VIFPVBQESA-N 0 3 274.321 -1.028 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000851688465 582229138 /nfs/dbraw/zinc/22/91/38/582229138.db2.gz BFNWDTJIKTXALQ-AEJSXWLSSA-N 0 3 255.318 -1.055 20 0 CAADHN CCS(=O)(=O)CCNC(=O)C(=O)N(C)CC(C)(C)N ZINC000851687205 582229200 /nfs/dbraw/zinc/22/92/00/582229200.db2.gz ZSVUMUGFKQAPQD-UHFFFAOYSA-N 0 3 293.389 -1.267 20 0 CAADHN NCCN(CCO)C(=O)C(=O)NCCO[C@H]1CC1(F)F ZINC000851690124 582229202 /nfs/dbraw/zinc/22/92/02/582229202.db2.gz WHXJFACHZZAOEI-QMMMGPOBSA-N 0 3 295.286 -1.694 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)NCCO[C@H]1CC1(F)F ZINC000851688452 582229214 /nfs/dbraw/zinc/22/92/14/582229214.db2.gz AQCQABXZCGDGOY-BQBZGAKWSA-N 0 3 265.260 -1.010 20 0 CAADHN COC(=O)N(C)CCNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000851689924 582229309 /nfs/dbraw/zinc/22/93/09/582229309.db2.gz VUZLIZJVKFJLCP-SECBINFHSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000851690135 582229325 /nfs/dbraw/zinc/22/93/25/582229325.db2.gz ZQYJOZWMSJHBDD-UWVGGRQHSA-N 0 3 299.375 -1.336 20 0 CAADHN Cc1ccncc1CCNC(=O)C(=O)N(CCN)CCO ZINC000851689567 582229343 /nfs/dbraw/zinc/22/93/43/582229343.db2.gz QHHDFGKECUYTRP-UHFFFAOYSA-N 0 3 294.355 -1.172 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000851690137 582229354 /nfs/dbraw/zinc/22/93/54/582229354.db2.gz ZQYJOZWMSJHBDD-VHSXEESVSA-N 0 3 299.375 -1.336 20 0 CAADHN COC(=O)N(C)CCNC(=O)C(=O)N(CCN)CCO ZINC000851691153 582229451 /nfs/dbraw/zinc/22/94/51/582229451.db2.gz LLLPIRKEYJKMSM-UHFFFAOYSA-N 0 3 290.320 -2.420 20 0 CAADHN NC(=O)[C@@](O)(CN1C[C@@H](O)[C@@H](O)C1)c1ccccc1 ZINC000851798816 582229756 /nfs/dbraw/zinc/22/97/56/582229756.db2.gz OCLAMYAGLYUSKM-NTZNESFSSA-N 0 3 266.297 -1.603 20 0 CAADHN NC(=O)[C@](O)(CN1C[C@H](O)C[C@H](O)C1)c1ccccc1 ZINC000851795859 582229792 /nfs/dbraw/zinc/22/97/92/582229792.db2.gz MZHXDLRICRLCPF-SCRDCRAPSA-N 0 3 280.324 -1.213 20 0 CAADHN OCC(CO)NCCn1cnc(Br)n1 ZINC000852123083 582230217 /nfs/dbraw/zinc/23/02/17/582230217.db2.gz FACJQWZTWLNJJT-UHFFFAOYSA-N 0 3 265.111 -1.017 20 0 CAADHN CCCS(=O)(=O)CCN(CCN)C[C@@H](O)CO ZINC000852753745 582230643 /nfs/dbraw/zinc/23/06/43/582230643.db2.gz HLPMDDVLMSVOLK-SNVBAGLBSA-N 0 3 268.379 -1.575 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852806838 582230747 /nfs/dbraw/zinc/23/07/47/582230747.db2.gz MSWIUZASLGYOQU-SECBINFHSA-N 0 3 286.332 -1.299 20 0 CAADHN CC(C)C(=O)NCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852804228 582230756 /nfs/dbraw/zinc/23/07/56/582230756.db2.gz XVKJSJVVXAPMKA-MRVPVSSYSA-N 0 3 256.306 -1.022 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852807223 582230776 /nfs/dbraw/zinc/23/07/76/582230776.db2.gz QDOQSRBKVNGXHJ-MRVPVSSYSA-N 0 3 290.345 -1.806 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)C1=NO[C@H](CN)C1 ZINC000852813639 582230808 /nfs/dbraw/zinc/23/08/08/582230808.db2.gz FUJLEYIWNDSTLZ-VIFPVBQESA-N 0 3 286.332 -1.347 20 0 CAADHN NC[C@H]1CC(C(=O)N[C@@H]2CCCCNC2=O)=NO1 ZINC000852810100 582230813 /nfs/dbraw/zinc/23/08/13/582230813.db2.gz RABXRQWGQOMRMP-HTQZYQBOSA-N 0 3 254.290 -1.125 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852818116 582230829 /nfs/dbraw/zinc/23/08/29/582230829.db2.gz QHTFDUYAMFDJFX-CBAPKCEASA-N 0 3 254.290 -1.173 20 0 CAADHN CN(CC(=O)N1CCOCC1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852814880 582230834 /nfs/dbraw/zinc/23/08/34/582230834.db2.gz YGFKOCDGRSMRES-SECBINFHSA-N 0 3 284.316 -1.593 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852813638 582230846 /nfs/dbraw/zinc/23/08/46/582230846.db2.gz FUJLEYIWNDSTLZ-SECBINFHSA-N 0 3 286.332 -1.347 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852818115 582230908 /nfs/dbraw/zinc/23/09/08/582230908.db2.gz QHTFDUYAMFDJFX-APPZFPTMSA-N 0 3 254.290 -1.173 20 0 CAADHN CC[C@@H]1C(=O)NCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852834804 582230916 /nfs/dbraw/zinc/23/09/16/582230916.db2.gz YEGSJBRKPKFHBV-VXNVDRBHSA-N 0 3 254.290 -1.173 20 0 CAADHN COC[C@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852843259 582230921 /nfs/dbraw/zinc/23/09/21/582230921.db2.gz UQOOFGJBAHNRFM-DTWKUNHWSA-N 0 3 257.290 -1.036 20 0 CAADHN CCS(=O)(=O)NCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852827017 582230951 /nfs/dbraw/zinc/23/09/51/582230951.db2.gz YRWWQAUHSNONTA-QMMMGPOBSA-N 0 3 292.361 -1.464 20 0 CAADHN C[C@@H]1CS(=O)(=O)CCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852842916 582230971 /nfs/dbraw/zinc/23/09/71/582230971.db2.gz LMKIYNZFJQLHGT-HTQZYQBOSA-N 0 3 275.330 -1.265 20 0 CAADHN COC[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852843258 582230976 /nfs/dbraw/zinc/23/09/76/582230976.db2.gz UQOOFGJBAHNRFM-BDAKNGLRSA-N 0 3 257.290 -1.036 20 0 CAADHN CC(C)NS(=O)(=O)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852824978 582230980 /nfs/dbraw/zinc/23/09/80/582230980.db2.gz FBMYGGAXJVONTA-QMMMGPOBSA-N 0 3 292.361 -1.466 20 0 CAADHN CC(C)NS(=O)(=O)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852824977 582230983 /nfs/dbraw/zinc/23/09/83/582230983.db2.gz FBMYGGAXJVONTA-MRVPVSSYSA-N 0 3 292.361 -1.466 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852818118 582231001 /nfs/dbraw/zinc/23/10/01/582231001.db2.gz QHTFDUYAMFDJFX-VXNVDRBHSA-N 0 3 254.290 -1.173 20 0 CAADHN NC[C@@H]1CC(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)=NO1 ZINC000852841761 582231067 /nfs/dbraw/zinc/23/10/67/582231067.db2.gz PBKSALOEYPHHEM-APPZFPTMSA-N 0 3 266.301 -1.031 20 0 CAADHN NC[C@@H]1CC(C(=O)NCCCN2C(=O)CCC2=O)=NO1 ZINC000852834728 582231077 /nfs/dbraw/zinc/23/10/77/582231077.db2.gz ABTOTTRXKUOPRY-QMMMGPOBSA-N 0 3 282.300 -1.255 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852843435 582231184 /nfs/dbraw/zinc/23/11/84/582231184.db2.gz XVXKNANNNNGOKC-JGVFFNPUSA-N 0 3 290.345 -1.760 20 0 CAADHN CC[C@@H](NC(=O)C1=NO[C@H](CN)C1)C(=O)N1CCOCC1 ZINC000852849931 582231195 /nfs/dbraw/zinc/23/11/95/582231195.db2.gz LEORWGCZXZBXSK-VHSXEESVSA-N 0 3 298.343 -1.156 20 0 CAADHN COC[C@](C)(NC(=O)C1=NO[C@@H](CN)C1)C(=O)OC ZINC000852851632 582231199 /nfs/dbraw/zinc/23/11/99/582231199.db2.gz VUIRYURCTZDSIX-HQJQHLMTSA-N 0 3 273.289 -1.216 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852843437 582231209 /nfs/dbraw/zinc/23/12/09/582231209.db2.gz XVXKNANNNNGOKC-YUMQZZPRSA-N 0 3 290.345 -1.760 20 0 CAADHN CC[C@H](NC(=O)C1=NO[C@H](CN)C1)C(=O)N1CCOCC1 ZINC000852849930 582231211 /nfs/dbraw/zinc/23/12/11/582231211.db2.gz LEORWGCZXZBXSK-UWVGGRQHSA-N 0 3 298.343 -1.156 20 0 CAADHN CC[C@H](NC(=O)C1=NO[C@@H](CN)C1)C(=O)N1CCOCC1 ZINC000852849932 582231237 /nfs/dbraw/zinc/23/12/37/582231237.db2.gz LEORWGCZXZBXSK-ZJUUUORDSA-N 0 3 298.343 -1.156 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@]1(F)CCNC1 ZINC000852848639 582231241 /nfs/dbraw/zinc/23/12/41/582231241.db2.gz OOQWDJHAZHVLSJ-MRTMQBJTSA-N 0 3 280.321 -1.384 20 0 CAADHN COC(=O)[C@@]1(NC(=O)C2=NO[C@H](CN)C2)CCOC1 ZINC000852852680 582231262 /nfs/dbraw/zinc/23/12/62/582231262.db2.gz FHQTZFULEDYDNU-WRWORJQWSA-N 0 3 271.273 -1.462 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852855654 582231264 /nfs/dbraw/zinc/23/12/64/582231264.db2.gz MAMBYLBYLLYLOP-JTQLQIEISA-N 0 3 297.359 -1.678 20 0 CAADHN C[C@H](CN1CCOCC1)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852858505 582231400 /nfs/dbraw/zinc/23/14/00/582231400.db2.gz BOFKGVQAZJZMLO-NXEZZACHSA-N 0 3 270.333 -1.073 20 0 CAADHN CC(=O)N1CCN(CCNC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852858976 582231480 /nfs/dbraw/zinc/23/14/80/582231480.db2.gz KAUNFRJQBCYXFX-LLVKDONJSA-N 0 3 297.359 -1.630 20 0 CAADHN C[C@H]1CN(CCNC(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852863727 582231562 /nfs/dbraw/zinc/23/15/62/582231562.db2.gz RLBZNEQHJFPSSL-UWVGGRQHSA-N 0 3 270.333 -1.073 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852865806 582231577 /nfs/dbraw/zinc/23/15/77/582231577.db2.gz POFBKYZYLAMREX-UWVGGRQHSA-N 0 3 270.333 -1.073 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1(O)CNC1 ZINC000852863656 582231585 /nfs/dbraw/zinc/23/15/85/582231585.db2.gz HVKCWANUUIIPAC-ZJUUUORDSA-N 0 3 255.318 -1.700 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852858327 582231604 /nfs/dbraw/zinc/23/16/04/582231604.db2.gz YMNJYBMZEXXGIQ-SNVBAGLBSA-N 0 3 297.359 -1.630 20 0 CAADHN NC[C@@H]1CC(C(=O)NCc2ccc(C(N)=O)nc2)=NO1 ZINC000852869845 582231606 /nfs/dbraw/zinc/23/16/06/582231606.db2.gz MXTORBGFRXEVRT-QMMMGPOBSA-N 0 3 277.284 -1.100 20 0 CAADHN CC(=O)N1CCN(CCNC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852858977 582231622 /nfs/dbraw/zinc/23/16/22/582231622.db2.gz KAUNFRJQBCYXFX-NSHDSACASA-N 0 3 297.359 -1.630 20 0 CAADHN COCCN(C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852863464 582231633 /nfs/dbraw/zinc/23/16/33/582231633.db2.gz GDRYNLGGVSUIGH-VIFPVBQESA-N 0 3 258.322 -1.216 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852879860 582231701 /nfs/dbraw/zinc/23/17/01/582231701.db2.gz HJXBSBDVRXJYQJ-WPRPVWTQSA-N 0 3 284.316 -1.547 20 0 CAADHN NC[C@H]1CC(C(=O)N2CCC[C@@H](C(N)=O)C2)=NO1 ZINC000852882682 582231727 /nfs/dbraw/zinc/23/17/27/582231727.db2.gz OBPLFCXZFXMDAE-HTQZYQBOSA-N 0 3 254.290 -1.186 20 0 CAADHN Cn1ccnc1[C@H]1CNCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852877981 582231733 /nfs/dbraw/zinc/23/17/33/582231733.db2.gz KSTGTBXMNWNSMW-MWLCHTKSSA-N 0 3 292.343 -1.003 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852879856 582231840 /nfs/dbraw/zinc/23/18/40/582231840.db2.gz HJXBSBDVRXJYQJ-SCZZXKLOSA-N 0 3 284.316 -1.547 20 0 CAADHN COC[C@H](NC(=O)C1=NO[C@H](CN)C1)C(=O)OC ZINC000852886619 582231955 /nfs/dbraw/zinc/23/19/55/582231955.db2.gz QPLMLIGEIPLMOQ-XPUUQOCRSA-N 0 3 259.262 -1.606 20 0 CAADHN COC(=O)C[C@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852885456 582231972 /nfs/dbraw/zinc/23/19/72/582231972.db2.gz QWXJBHHEGHFDJD-IUCAKERBSA-N 0 3 285.300 -1.120 20 0 CAADHN NC[C@@H]1CC(C(=O)NCCN2CCCOCC2)=NO1 ZINC000852886586 582231999 /nfs/dbraw/zinc/23/19/99/582231999.db2.gz PXUIBMHKVQPWCP-JTQLQIEISA-N 0 3 270.333 -1.072 20 0 CAADHN CS(=O)(=O)N1CC[C@H](NC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852896175 582232141 /nfs/dbraw/zinc/23/21/41/582232141.db2.gz UYRGXKDCWMLOKI-JGVFFNPUSA-N 0 3 290.345 -1.760 20 0 CAADHN COCCN1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1=O ZINC000852888841 582232149 /nfs/dbraw/zinc/23/21/49/582232149.db2.gz NDPDJYJFCVGYCR-SECBINFHSA-N 0 3 284.316 -1.593 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C2=NO[C@H](CN)C2)O1 ZINC000852888818 582232157 /nfs/dbraw/zinc/23/21/57/582232157.db2.gz MQTARDLAIRJZPW-YWVKMMECSA-N 0 3 298.343 -1.158 20 0 CAADHN CS(=O)(=O)N1CC[C@H](NC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852896177 582232161 /nfs/dbraw/zinc/23/21/61/582232161.db2.gz UYRGXKDCWMLOKI-YUMQZZPRSA-N 0 3 290.345 -1.760 20 0 CAADHN CCN1C[C@H](NC(=O)C2=NO[C@@H](CN)C2)CC1=O ZINC000852895265 582232163 /nfs/dbraw/zinc/23/21/63/582232163.db2.gz VULGEMCNZDPDLQ-HTQZYQBOSA-N 0 3 254.290 -1.173 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852894368 582232167 /nfs/dbraw/zinc/23/21/67/582232167.db2.gz QLHCPTGFHDKUEK-APPZFPTMSA-N 0 3 271.273 -1.510 20 0 CAADHN COCCN1CCCN(C(=O)C2=NO[C@@H](CN)C2)CC1=O ZINC000852888708 582232176 /nfs/dbraw/zinc/23/21/76/582232176.db2.gz ZWAWPZRFSQCGRO-SNVBAGLBSA-N 0 3 298.343 -1.203 20 0 CAADHN NC[C@H]1CC(C(=O)NCC(=O)NCC2CC2)=NO1 ZINC000852888913 582232190 /nfs/dbraw/zinc/23/21/90/582232190.db2.gz OELXRGBDAMHMHC-MRVPVSSYSA-N 0 3 254.290 -1.268 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C2=NO[C@@H](CN)C2)O1 ZINC000852888813 582232196 /nfs/dbraw/zinc/23/21/96/582232196.db2.gz MQTARDLAIRJZPW-NGZCFLSTSA-N 0 3 298.343 -1.158 20 0 CAADHN CCN1C[C@@H](NC(=O)C2=NO[C@@H](CN)C2)CC1=O ZINC000852895266 582232204 /nfs/dbraw/zinc/23/22/04/582232204.db2.gz VULGEMCNZDPDLQ-JGVFFNPUSA-N 0 3 254.290 -1.173 20 0 CAADHN NC[C@H]1CC(C(=O)NC[C@@H]2CN3CCN2CCC3)=NO1 ZINC000852914628 582232409 /nfs/dbraw/zinc/23/24/09/582232409.db2.gz ZMWJVYXKRSOAPS-GHMZBOCLSA-N 0 3 281.360 -1.404 20 0 CAADHN CN(C[C@H]1COCCO1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852908148 582232435 /nfs/dbraw/zinc/23/24/35/582232435.db2.gz VDKJJXOUXVODME-BDAKNGLRSA-N 0 3 257.290 -1.036 20 0 CAADHN C[C@@]1(C(N)=O)CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852912689 582232547 /nfs/dbraw/zinc/23/25/47/582232547.db2.gz FDPOAKOAFMCPRV-RDDDGLTNSA-N 0 3 254.290 -1.186 20 0 CAADHN CN(C)C(=O)OCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852908613 582232619 /nfs/dbraw/zinc/23/26/19/582232619.db2.gz YGQHIHHTRIBTDG-ZETCQYMHSA-N 0 3 258.278 -1.096 20 0 CAADHN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000852918340 582232676 /nfs/dbraw/zinc/23/26/76/582232676.db2.gz YQIRKTNZJOKRBQ-NAUIOFCNSA-N 0 3 294.355 -1.375 20 0 CAADHN C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000852918339 582232683 /nfs/dbraw/zinc/23/26/83/582232683.db2.gz YQIRKTNZJOKRBQ-IPWFMCSPSA-N 0 3 294.355 -1.375 20 0 CAADHN COC(=O)N(C)CCN(C)C(=O)C(=O)N(C)CCN ZINC000852921240 582232708 /nfs/dbraw/zinc/23/27/08/582232708.db2.gz KOXRXJIYMLVHTN-UHFFFAOYSA-N 0 3 274.321 -1.440 20 0 CAADHN COC(=O)N(C)CCN(C)C(=O)C(=O)N(C)[C@@H](C)CN ZINC000852919895 582232728 /nfs/dbraw/zinc/23/27/28/582232728.db2.gz DQYCPUHICKCRCV-VIFPVBQESA-N 0 3 288.348 -1.051 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCC2(C1)OCCO2 ZINC000852917938 582232745 /nfs/dbraw/zinc/23/27/45/582232745.db2.gz QLBWKTKXIQBPOQ-UHFFFAOYSA-N 0 3 295.339 -1.089 20 0 CAADHN NC[C@H]1CC(C(=O)NC[C@H]2CN3CCN2CCC3)=NO1 ZINC000852914632 582232753 /nfs/dbraw/zinc/23/27/53/582232753.db2.gz ZMWJVYXKRSOAPS-WDEREUQCSA-N 0 3 281.360 -1.404 20 0 CAADHN CN(C)C[C@H](O)CNc1cc(=O)n(C)c(=O)n1C ZINC000853151557 582232973 /nfs/dbraw/zinc/23/29/73/582232973.db2.gz QZQXBKIOWVTQGE-MRVPVSSYSA-N 0 3 256.306 -1.582 20 0 CAADHN CN(CC1CN(C)C1)Cn1nnc2c(cnn2C)c1=O ZINC000853553849 582233326 /nfs/dbraw/zinc/23/33/26/582233326.db2.gz UHFUOIRBKVFJFG-UHFFFAOYSA-N 0 3 277.332 -1.024 20 0 CAADHN CN1N=C(C(=O)N2CCOC3(CNC3)C2)CCC1=O ZINC000854015346 582233568 /nfs/dbraw/zinc/23/35/68/582233568.db2.gz LKOAFBHKGBCEKY-UHFFFAOYSA-N 0 3 266.301 -1.205 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000854297177 582233781 /nfs/dbraw/zinc/23/37/81/582233781.db2.gz OIZTYFSUECJDEX-JTQLQIEISA-N 0 3 297.359 -1.710 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H](O)c1cnn(C)c1 ZINC000854465986 582234241 /nfs/dbraw/zinc/23/42/41/582234241.db2.gz VNUOLLDVCJAOJU-ZJUUUORDSA-N 0 3 256.306 -1.508 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H](O)c1cnn(C)c1 ZINC000854465984 582234294 /nfs/dbraw/zinc/23/42/94/582234294.db2.gz VNUOLLDVCJAOJU-UWVGGRQHSA-N 0 3 256.306 -1.508 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCN1CCOC1=O ZINC000854467227 582234481 /nfs/dbraw/zinc/23/44/81/582234481.db2.gz RXSHYUFBFJDVDV-VIFPVBQESA-N 0 3 259.306 -1.133 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCN1CCOC1=O ZINC000854467226 582234492 /nfs/dbraw/zinc/23/44/92/582234492.db2.gz RXSHYUFBFJDVDV-SECBINFHSA-N 0 3 259.306 -1.133 20 0 CAADHN CCn1ncn(NC(=O)[C@@H]2CN3CCN2CCC3)c1=O ZINC000854628374 582235375 /nfs/dbraw/zinc/23/53/75/582235375.db2.gz DGIKKNUZFRUHGL-JTQLQIEISA-N 0 3 280.332 -1.475 20 0 CAADHN CN(C)CCONC(=O)c1nc2n(n1)CCCN2 ZINC000854689590 582235714 /nfs/dbraw/zinc/23/57/14/582235714.db2.gz FSOOTZKZWVFZNR-UHFFFAOYSA-N 0 3 254.294 -1.426 20 0 CAADHN CN(C)CCONC(=O)c1ccc(S(N)(=O)=O)nc1 ZINC000854945787 582237106 /nfs/dbraw/zinc/23/71/06/582237106.db2.gz PSQPFDRXFCFKIE-UHFFFAOYSA-N 0 3 288.329 -1.048 20 0 CAADHN CN(CCO)CCNC(=O)Nc1cc(=O)n(C)cn1 ZINC000888489025 582237499 /nfs/dbraw/zinc/23/74/99/582237499.db2.gz MWWUBUVJUQQDED-UHFFFAOYSA-N 0 3 269.305 -1.174 20 0 CAADHN COC(=O)NCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000855695510 582237823 /nfs/dbraw/zinc/23/78/23/582237823.db2.gz OJYJJTGVCIPAOL-UHFFFAOYSA-N 0 3 288.348 -1.179 20 0 CAADHN Cn1cnc(NC(=O)NCCN2CC[C@@H](O)C2)cc1=O ZINC000888493582 582237955 /nfs/dbraw/zinc/23/79/55/582237955.db2.gz AURWFMXDIKHQPZ-SECBINFHSA-N 0 3 281.316 -1.032 20 0 CAADHN CN(C)CCN1CCN(CN2CCC2=O)CC1=O ZINC000857237676 582238939 /nfs/dbraw/zinc/23/89/39/582238939.db2.gz ZSBZWDGOAGGPIZ-UHFFFAOYSA-N 0 3 254.334 -1.118 20 0 CAADHN C[C@H](C[NH3+])[N-]C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000857765596 582239400 /nfs/dbraw/zinc/23/94/00/582239400.db2.gz RQOLWTLLUSPGLG-SSDOTTSWSA-N 0 3 265.260 -1.056 20 0 CAADHN COC(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000858358173 582239841 /nfs/dbraw/zinc/23/98/41/582239841.db2.gz ALFVCBUAEAHMGK-UHFFFAOYSA-N 0 3 253.266 -1.076 20 0 CAADHN CCS(=O)(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000858376856 582239846 /nfs/dbraw/zinc/23/98/46/582239846.db2.gz RUCHPEZWLWKXDM-UHFFFAOYSA-N 0 3 287.349 -1.492 20 0 CAADHN Nc1nc(N)nc(N2CCN(S(N)(=O)=O)CC2)n1 ZINC000858337070 582239863 /nfs/dbraw/zinc/23/98/63/582239863.db2.gz ZHFYQRYGFUHUDN-UHFFFAOYSA-N 0 3 274.310 -2.639 20 0 CAADHN CN1CCN(C(=O)CNc2nc(N)nc(N)n2)CC1 ZINC000858388468 582239921 /nfs/dbraw/zinc/23/99/21/582239921.db2.gz DHJWTGXCQLAIQH-UHFFFAOYSA-N 0 3 266.309 -1.778 20 0 CAADHN O=C1NC[C@H]2CN(c3ccnc(CO)c3)CCN2C1=O ZINC000858438544 582239962 /nfs/dbraw/zinc/23/99/62/582239962.db2.gz BSPLHHZRAAMOJI-NSHDSACASA-N 0 3 276.296 -1.279 20 0 CAADHN COC(=O)[C@H]1[C@@H]2CN(c3nc(N)nc(N)n3)C[C@@H]21 ZINC000858551897 582240199 /nfs/dbraw/zinc/24/01/99/582240199.db2.gz NGYJUIQEHYBRFL-FMCRUOTFSA-N 0 3 250.262 -1.109 20 0 CAADHN C[C@H](CCO)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000858569416 582240253 /nfs/dbraw/zinc/24/02/53/582240253.db2.gz GREQYORLUNVQBN-MRVPVSSYSA-N 0 3 251.352 -1.163 20 0 CAADHN CCn1ncc(CNC(=O)C(=O)N(C)CCN(C)C)n1 ZINC000859287027 582240974 /nfs/dbraw/zinc/24/09/74/582240974.db2.gz KTCUOGTXMIUUKA-UHFFFAOYSA-N 0 3 282.348 -1.066 20 0 CAADHN CCN1CCN(CCNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC000859354783 582240989 /nfs/dbraw/zinc/24/09/89/582240989.db2.gz BOAIPLMSINPOEZ-JTQLQIEISA-N 0 3 270.333 -1.152 20 0 CAADHN CON(C)C(=O)CCN1CCC(NS(N)(=O)=O)CC1 ZINC000859958435 582242044 /nfs/dbraw/zinc/24/20/44/582242044.db2.gz UBRLSYGKFRXYGV-UHFFFAOYSA-N 0 3 294.377 -1.346 20 0 CAADHN O=C1OC[C@H]2CN(C[C@@H](O)CN3CCOCC3)C[C@@H]12 ZINC000860156810 582242401 /nfs/dbraw/zinc/24/24/01/582242401.db2.gz GSKUJDZRLBUHRZ-GRYCIOLGSA-N 0 3 270.329 -1.216 20 0 CAADHN C=CC(=O)N(C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000860827198 582243366 /nfs/dbraw/zinc/24/33/66/582243366.db2.gz WLLKIOVFHJHEHV-LBPRGKRZSA-N 0 3 255.318 -1.186 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)Nc2cc(=O)n(C)cn2)C1 ZINC000888508719 582243425 /nfs/dbraw/zinc/24/34/25/582243425.db2.gz BKTWJOWFXQAPQP-GFCCVEGCSA-N 0 3 281.316 -1.032 20 0 CAADHN COCCNCCNC(=O)N[C@H](C)C(=O)N(C)OC ZINC000861640593 582244317 /nfs/dbraw/zinc/24/43/17/582244317.db2.gz FLWPOYFGFAZXDZ-SECBINFHSA-N 0 3 276.337 -1.070 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)NC[C@H]1CNCCO1 ZINC000861645293 582244341 /nfs/dbraw/zinc/24/43/41/582244341.db2.gz ANRBKKYIAQIGGC-RKDXNWHRSA-N 0 3 274.321 -1.318 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000861645524 582244346 /nfs/dbraw/zinc/24/43/46/582244346.db2.gz GULFPMRPVAZYQI-KXUCPTDWSA-N 0 3 269.301 -1.211 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)N1CCOC2(CNC2)C1 ZINC000861698783 582244579 /nfs/dbraw/zinc/24/45/79/582244579.db2.gz HUTSASLEMIBGLY-VIFPVBQESA-N 0 3 286.332 -1.222 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000861698593 582244591 /nfs/dbraw/zinc/24/45/91/582244591.db2.gz CLGAGHRMPMGVOQ-ZJUUUORDSA-N 0 3 287.364 -1.321 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000861716808 582244696 /nfs/dbraw/zinc/24/46/96/582244696.db2.gz ANZXRVFLVBOVIN-FPFACLPRSA-N 0 3 298.339 -1.254 20 0 CAADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861717717 582244712 /nfs/dbraw/zinc/24/47/12/582244712.db2.gz SVDQLAIALODBDI-BBBLOLIVSA-N 0 3 296.327 -1.748 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CO)CN(C)C)O1 ZINC000861718321 582244740 /nfs/dbraw/zinc/24/47/40/582244740.db2.gz KUBWBSBWIPPJSM-BBBLOLIVSA-N 0 3 274.317 -1.254 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC000861718469 582244754 /nfs/dbraw/zinc/24/47/54/582244754.db2.gz MDTYIPDGROVPQO-SNVBAGLBSA-N 0 3 280.328 -1.238 20 0 CAADHN CCn1ncc(CNC(=O)C(=O)N2CC3CC2(CN)C3)n1 ZINC000861788639 582245156 /nfs/dbraw/zinc/24/51/56/582245156.db2.gz IJCJNWZCZVFBBZ-UHFFFAOYSA-N 0 3 292.343 -1.136 20 0 CAADHN NCCN(CCO)C(=O)C(=O)NCC[C@H]1CCCOC1 ZINC000861789568 582245217 /nfs/dbraw/zinc/24/52/17/582245217.db2.gz SQSREGHCBTUEMQ-LLVKDONJSA-N 0 3 287.360 -1.301 20 0 CAADHN Cc1ncccc1CNC(=O)C(=O)N(CCN)CCO ZINC000861799431 582245291 /nfs/dbraw/zinc/24/52/91/582245291.db2.gz CNHJFKZLVHNDBX-UHFFFAOYSA-N 0 3 280.328 -1.214 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@H]2COCO2)CC1=O ZINC000861973056 582246023 /nfs/dbraw/zinc/24/60/23/582246023.db2.gz YYZOMJOWNCENGY-QWRGUYRKSA-N 0 3 285.344 -1.114 20 0 CAADHN O=C([C@H]1CCOC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000862144012 582246232 /nfs/dbraw/zinc/24/62/32/582246232.db2.gz QUBSNKMMALMAKR-IVZWLZJFSA-N 0 3 269.301 -1.238 20 0 CAADHN CC(C)[C@H](NC=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000862121878 582246245 /nfs/dbraw/zinc/24/62/45/582246245.db2.gz OZHCSNTUYJWIFM-ZDUSSCGKSA-N 0 3 298.387 -1.011 20 0 CAADHN C=CC(=O)N(C)CC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000862143058 582246255 /nfs/dbraw/zinc/24/62/55/582246255.db2.gz IHNLXACOGSHFQR-WDEREUQCSA-N 0 3 267.329 -1.092 20 0 CAADHN COC(=O)NCCC(=O)NCCN1CC[C@@H](O)C1 ZINC000863323879 582248564 /nfs/dbraw/zinc/24/85/64/582248564.db2.gz VZVCCDNKHFZNEF-SECBINFHSA-N 0 3 259.306 -1.085 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1Cc1cnn(C)n1 ZINC000863329140 582248665 /nfs/dbraw/zinc/24/86/65/582248665.db2.gz KYADCBGTENSHDY-ZCFIWIBFSA-N 0 3 259.291 -1.278 20 0 CAADHN CCOC(=O)C[C@@H](O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000863329125 582248672 /nfs/dbraw/zinc/24/86/72/582248672.db2.gz KQWNSGWKBAFLGB-HTQZYQBOSA-N 0 3 294.329 -1.292 20 0 CAADHN CCOC(=O)[C@@H]1NCC[C@H]1NCCN1CC[C@H](O)C1 ZINC000863546490 582248998 /nfs/dbraw/zinc/24/89/98/582248998.db2.gz JUJCSIAWNHIZHP-QJPTWQEYSA-N 0 3 271.361 -1.064 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H]1C[C@@H]1N ZINC000863583349 582249174 /nfs/dbraw/zinc/24/91/74/582249174.db2.gz UKJDWGRSCHPHEU-MXWKQRLJSA-N 0 3 257.334 -1.515 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)C(=O)[C@]1(F)CCNC1 ZINC000863583463 582249227 /nfs/dbraw/zinc/24/92/27/582249227.db2.gz XQEPBIVUSRPIPU-AAEUAGOBSA-N 0 3 289.351 -1.161 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC[C@@H](O)CN1CCOCC1 ZINC000863587294 582249320 /nfs/dbraw/zinc/24/93/20/582249320.db2.gz UOVOFJKXTJXYRD-GHMZBOCLSA-N 0 3 275.349 -1.323 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@]1(F)CCNC1 ZINC000863583466 582249329 /nfs/dbraw/zinc/24/93/29/582249329.db2.gz XQEPBIVUSRPIPU-YPMHNXCESA-N 0 3 289.351 -1.161 20 0 CAADHN CON(C)C(=O)[C@H](C)NC[C@H](O)CN1CCOCC1 ZINC000863587883 582249364 /nfs/dbraw/zinc/24/93/64/582249364.db2.gz UOVOFJKXTJXYRD-QWRGUYRKSA-N 0 3 275.349 -1.323 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(CC)CCS(C)(=O)=O ZINC000863765042 582250083 /nfs/dbraw/zinc/25/00/83/582250083.db2.gz LHYRQVIKJKCXIR-UHFFFAOYSA-N 0 3 293.389 -1.313 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000863769575 582250179 /nfs/dbraw/zinc/25/01/79/582250179.db2.gz MVJLGFXFJRXJIC-ZJUUUORDSA-N 0 3 298.343 -1.250 20 0 CAADHN O=C(CN1CCNC(=O)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864059431 582250749 /nfs/dbraw/zinc/25/07/49/582250749.db2.gz IDVPIIIMNJLKAU-WDEREUQCSA-N 0 3 282.344 -2.304 20 0 CAADHN O=C(C1CN([C@@H]2CCOC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864059773 582250777 /nfs/dbraw/zinc/25/07/77/582250777.db2.gz QJPSUSFKMGLFHY-HZSPNIEDSA-N 0 3 295.383 -1.016 20 0 CAADHN CN1C(=O)C[C@H](N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000864350399 582252214 /nfs/dbraw/zinc/25/22/14/582252214.db2.gz DGRMJJDIXZSMKE-RNJXMRFFSA-N 0 3 265.269 -1.710 20 0 CAADHN COCCN1C(=O)C[C@H](N2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000864352050 582252263 /nfs/dbraw/zinc/25/22/63/582252263.db2.gz XEAASPCUFLBUJG-BBBLOLIVSA-N 0 3 282.296 -1.135 20 0 CAADHN CN1C(=O)[C@H]2CN([C@@H]3CC(=O)N(C4CC4)C3=O)C[C@H]2C1=O ZINC000864350788 582252312 /nfs/dbraw/zinc/25/23/12/582252312.db2.gz JFKOSNWZSPTFJI-KXUCPTDWSA-N 0 3 291.307 -1.177 20 0 CAADHN CN1C(=O)[C@H]2CN([C@H]3CC(=O)NC3=O)C[C@H]2C1=O ZINC000864352428 582252458 /nfs/dbraw/zinc/25/24/58/582252458.db2.gz VWIZDOXGWIRUFS-XVMARJQXSA-N 0 3 251.242 -2.052 20 0 CAADHN CN1C(=O)[C@H]2CN([C@@H]3CC(=O)NC3=O)C[C@H]2C1=O ZINC000864352427 582252488 /nfs/dbraw/zinc/25/24/88/582252488.db2.gz VWIZDOXGWIRUFS-DSYKOEDSSA-N 0 3 251.242 -2.052 20 0 CAADHN CN1CCC(NC(=O)Cn2nnn(C3CC3)c2=O)CC1 ZINC000865367867 582253114 /nfs/dbraw/zinc/25/31/14/582253114.db2.gz IRFLYFWRQJLRJN-UHFFFAOYSA-N 0 3 280.332 -1.015 20 0 CAADHN O=C1COC[C@@]2(CN[C@H]3CCOC3)COCCN12 ZINC000865798114 582253196 /nfs/dbraw/zinc/25/31/96/582253196.db2.gz QITCCEBVPLKGCN-CMPLNLGQSA-N 0 3 256.302 -1.007 20 0 CAADHN COC(=O)[C@H]1CNCCCN1CCc1nnnn1C ZINC000866664657 582253832 /nfs/dbraw/zinc/25/38/32/582253832.db2.gz JISKSAVEJFEHNK-SECBINFHSA-N 0 3 268.321 -1.411 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1CCc1nnnn1C ZINC000866664658 582253898 /nfs/dbraw/zinc/25/38/98/582253898.db2.gz JISKSAVEJFEHNK-VIFPVBQESA-N 0 3 268.321 -1.411 20 0 CAADHN O=S(=O)(C[C@H]1CNCCO1)[N-][C@@H]1C[NH2+]CCC1(F)F ZINC000866770460 582254329 /nfs/dbraw/zinc/25/43/29/582254329.db2.gz ZHDWWPXTZNIRGW-RKDXNWHRSA-N 0 3 299.343 -1.109 20 0 CAADHN O=S(=O)(C[C@@H]1CNCCO1)[N-][C@H]1C[NH2+]CCC1(F)F ZINC000866770459 582254394 /nfs/dbraw/zinc/25/43/94/582254394.db2.gz ZHDWWPXTZNIRGW-IUCAKERBSA-N 0 3 299.343 -1.109 20 0 CAADHN COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)CCCN(C)C ZINC000867886970 582255327 /nfs/dbraw/zinc/25/53/27/582255327.db2.gz OXOHYDGGCKIYSF-NXEZZACHSA-N 0 3 294.373 -1.124 20 0 CAADHN O=C(CN1CCCCC(=O)C1=O)NC[C@H]1CNCCO1 ZINC000867979652 582255341 /nfs/dbraw/zinc/25/53/41/582255341.db2.gz LPNUYXOAHVCAAB-SNVBAGLBSA-N 0 3 283.328 -1.327 20 0 CAADHN CC1(C)CN[C@H]1C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000867996509 582255474 /nfs/dbraw/zinc/25/54/74/582255474.db2.gz DWGZGKNFLYIZOE-SMDDNHRTSA-N 0 3 297.355 -1.272 20 0 CAADHN C[C@H](N)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000867998183 582255585 /nfs/dbraw/zinc/25/55/85/582255585.db2.gz RIYCDFLSBQZDDO-KWQFWETISA-N 0 3 257.290 -1.922 20 0 CAADHN NC1(C(=O)NC[C@]23COCCN2C(=O)COC3)CC1 ZINC000867997403 582255623 /nfs/dbraw/zinc/25/56/23/582255623.db2.gz VUIOFHKJCCAGKB-LLVKDONJSA-N 0 3 269.301 -1.778 20 0 CAADHN CN[C@@H](C)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000867996932 582255632 /nfs/dbraw/zinc/25/56/32/582255632.db2.gz PWNZBOWUXXJOJS-CABZTGNLSA-N 0 3 271.317 -1.662 20 0 CAADHN CN[C@@H](C)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000867996933 582255645 /nfs/dbraw/zinc/25/56/45/582255645.db2.gz PWNZBOWUXXJOJS-JOYOIKCWSA-N 0 3 271.317 -1.662 20 0 CAADHN CC[C@@]1(C(=O)N[C@@H](CO)CN(C)C)CCNC1=O ZINC000868346022 582256165 /nfs/dbraw/zinc/25/61/65/582256165.db2.gz WLNZRZGSNKEALO-BXKDBHETSA-N 0 3 257.334 -1.059 20 0 CAADHN CC[C@@]1(C(=O)N[C@H](CO)CN(C)C)CCNC1=O ZINC000868346024 582256190 /nfs/dbraw/zinc/25/61/90/582256190.db2.gz WLNZRZGSNKEALO-JOYOIKCWSA-N 0 3 257.334 -1.059 20 0 CAADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCn2cnnc2C1 ZINC000868414981 582256348 /nfs/dbraw/zinc/25/63/48/582256348.db2.gz UJTNTZKUHGPAOC-SNVBAGLBSA-N 0 3 292.343 -1.040 20 0 CAADHN NC[C@H]1CCCCN1C(=O)C(=O)N1CCn2ncnc2C1 ZINC000868414317 582256360 /nfs/dbraw/zinc/25/63/60/582256360.db2.gz AYTALKPDBWHDLB-SNVBAGLBSA-N 0 3 292.343 -1.040 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)C[C@@H](CO)O1 ZINC000868413061 582256423 /nfs/dbraw/zinc/25/64/23/582256423.db2.gz DQDMLTMFLFHZSK-TUAOUCFPSA-N 0 3 299.371 -1.066 20 0 CAADHN COCCNCCNC(=O)CN1CCCCC(=O)C1=O ZINC000870939059 582257603 /nfs/dbraw/zinc/25/76/03/582257603.db2.gz JRTVXNPBBCLIEI-UHFFFAOYSA-N 0 3 285.344 -1.080 20 0 CAADHN N[C@H](C(=O)NC[C@]12COCCN1C(=O)COC2)C1CCC1 ZINC000870977288 582257608 /nfs/dbraw/zinc/25/76/08/582257608.db2.gz DZZHLUGONBLCLX-GXTWGEPZSA-N 0 3 297.355 -1.142 20 0 CAADHN CC(C)[C@@H](N)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000870977124 582257614 /nfs/dbraw/zinc/25/76/14/582257614.db2.gz CCANVWNAOLOQFH-DGCLKSJQSA-N 0 3 285.344 -1.286 20 0 CAADHN C[C@@H](NC1CC1)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000870977062 582257619 /nfs/dbraw/zinc/25/76/19/582257619.db2.gz AOEQTEFSWRYNNH-YGRLFVJLSA-N 0 3 297.355 -1.129 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)[C@]3(F)CCNC3)C[C@H]2C1=O ZINC000870960570 582257687 /nfs/dbraw/zinc/25/76/87/582257687.db2.gz GDCHYYONXOTYPT-SXMVTHIZSA-N 0 3 269.276 -1.239 20 0 CAADHN CC[C@@H](N)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000870977858 582257784 /nfs/dbraw/zinc/25/77/84/582257784.db2.gz MFBPYWHJYAIULA-BXKDBHETSA-N 0 3 271.317 -1.532 20 0 CAADHN C[C@@H](O)[C@@H](O)CNC(=O)c1ccn(CCN(C)C)n1 ZINC000871138565 582257942 /nfs/dbraw/zinc/25/79/42/582257942.db2.gz ADONBSKNFKSPCX-KOLCDFICSA-N 0 3 270.333 -1.084 20 0 CAADHN CC(C)(O)C[C@@H](O)CN[C@@H](CO)CN1CCOCC1 ZINC000872214814 582258965 /nfs/dbraw/zinc/25/89/65/582258965.db2.gz GKXCZYLORWWVOD-VXGBXAGGSA-N 0 3 276.377 -1.209 20 0 CAADHN NC(=O)CCNC[C@@]12COCCN1C(=O)COC2 ZINC000872232794 582258979 /nfs/dbraw/zinc/25/89/79/582258979.db2.gz GZDWFMOMZKSAJU-NSHDSACASA-N 0 3 257.290 -1.921 20 0 CAADHN CC(C)(O)C[C@@H](O)CN[C@H](CO)CN1CCOCC1 ZINC000872214812 582258992 /nfs/dbraw/zinc/25/89/92/582258992.db2.gz GKXCZYLORWWVOD-NWDGAFQWSA-N 0 3 276.377 -1.209 20 0 CAADHN CCNS(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC000872616234 582259194 /nfs/dbraw/zinc/25/91/94/582259194.db2.gz CCLWGFRDTITXJU-VHSXEESVSA-N 0 3 263.363 -1.018 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CC(=O)NCC12COC2 ZINC000872686049 582259445 /nfs/dbraw/zinc/25/94/45/582259445.db2.gz TWRJPMGLWQELQH-UHFFFAOYSA-N 0 3 291.373 -1.531 20 0 CAADHN CCOC(=O)[C@H]1NCC[C@H]1NCCCS(=O)(=O)NC ZINC000873241833 582259697 /nfs/dbraw/zinc/25/96/97/582259697.db2.gz GIRUFIQGIIDCGV-ZJUUUORDSA-N 0 3 293.389 -1.191 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000875909630 582262111 /nfs/dbraw/zinc/26/21/11/582262111.db2.gz NPKQGNCSIJIJDZ-SKDRFNHKSA-N 0 3 288.348 -1.240 20 0 CAADHN COC[C@@]1(CN(C)C)COCCN1C(=O)Cn1cnnn1 ZINC000876471007 582262286 /nfs/dbraw/zinc/26/22/86/582262286.db2.gz JYEDRONKQPFFKB-LBPRGKRZSA-N 0 3 298.347 -1.521 20 0 CAADHN COC[C@]1(C(=O)N2CCN[C@@H](C)C2)CNCCO1 ZINC000876531456 582262575 /nfs/dbraw/zinc/26/25/75/582262575.db2.gz GRNKIQUFMJBBCE-JQWIXIFHSA-N 0 3 257.334 -1.188 20 0 CAADHN CN1CCN(C(=O)CN2CCOC2=O)[C@H](CN)C1 ZINC000876542746 582262620 /nfs/dbraw/zinc/26/26/20/582262620.db2.gz SNLMHSFOXUXDKT-SECBINFHSA-N 0 3 256.306 -1.460 20 0 CAADHN CC(C)[C@H]1C(=O)NCCN1C(=O)[C@@H](N)CN(C)C ZINC000876645490 582262684 /nfs/dbraw/zinc/26/26/84/582262684.db2.gz KDTJSXHOFSBSFY-UWVGGRQHSA-N 0 3 256.350 -1.142 20 0 CAADHN CN(C)C[C@H](N)C(=O)NCCCN1CCOC1=O ZINC000876642236 582262686 /nfs/dbraw/zinc/26/26/86/582262686.db2.gz UQMYAIDURYTYBQ-VIFPVBQESA-N 0 3 258.322 -1.166 20 0 CAADHN CN(C)C[C@H](N)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000876598625 582262692 /nfs/dbraw/zinc/26/26/92/582262692.db2.gz PAIVMGULLCUIET-JTQLQIEISA-N 0 3 272.349 -1.808 20 0 CAADHN CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)CN(C)C ZINC000876645492 582262765 /nfs/dbraw/zinc/26/27/65/582262765.db2.gz KDTJSXHOFSBSFY-VHSXEESVSA-N 0 3 256.350 -1.142 20 0 CAADHN CC[C@H](NC(=O)[C@@H](N)CN(C)C)C(=O)N1CCOCC1 ZINC000876691157 582262865 /nfs/dbraw/zinc/26/28/65/582262865.db2.gz CIOATYGYYCRCHF-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN CC1N=NC(=S)N1CCNC(=O)CN1CCNCC1 ZINC000876677920 582262870 /nfs/dbraw/zinc/26/28/70/582262870.db2.gz FZOMJTPAMOZPAQ-UHFFFAOYSA-N 0 3 284.389 -1.103 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000876693114 582262906 /nfs/dbraw/zinc/26/29/06/582262906.db2.gz QEOQPVQHUVZCDQ-ZJUUUORDSA-N 0 3 256.350 -1.011 20 0 CAADHN COC[C@](C)(NC(=O)[C@@H](N)CN(C)C)C(=O)OC ZINC000876697723 582262974 /nfs/dbraw/zinc/26/29/74/582262974.db2.gz XXMYUVPSJGXTSX-KWQFWETISA-N 0 3 261.322 -1.430 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000876670726 582262993 /nfs/dbraw/zinc/26/29/93/582262993.db2.gz GFXJGKDZINNKOG-NSHDSACASA-N 0 3 294.359 -1.516 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@@H](N)CN(C)C)CCN2C1=O ZINC000876701953 582263044 /nfs/dbraw/zinc/26/30/44/582263044.db2.gz GQUIGAXRCBPSNS-UWVGGRQHSA-N 0 3 297.359 -1.630 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000876756584 582263095 /nfs/dbraw/zinc/26/30/95/582263095.db2.gz VQGGCBVXELCIOA-QWRGUYRKSA-N 0 3 258.366 -1.288 20 0 CAADHN CN(C)C[C@H](N)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000876722354 582263105 /nfs/dbraw/zinc/26/31/05/582263105.db2.gz SPCFDPFAASXFAC-NSHDSACASA-N 0 3 285.392 -1.844 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000876782043 582263131 /nfs/dbraw/zinc/26/31/31/582263131.db2.gz MHVPKBHUXPVVBO-ZDUSSCGKSA-N 0 3 294.403 -1.047 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000876753087 582263159 /nfs/dbraw/zinc/26/31/59/582263159.db2.gz IFKWVYZZDHSXST-XQQFMLRXSA-N 0 3 284.404 -1.067 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000876808491 582263229 /nfs/dbraw/zinc/26/32/29/582263229.db2.gz JICJOINNDGEXTD-NEPJUHHUSA-N 0 3 297.403 -1.702 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000876808492 582263299 /nfs/dbraw/zinc/26/32/99/582263299.db2.gz JICJOINNDGEXTD-RYUDHWBXSA-N 0 3 297.403 -1.702 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCNC[C@H]1C(F)F ZINC000876855170 582263399 /nfs/dbraw/zinc/26/33/99/582263399.db2.gz ZHTVVHLBJVIAAZ-YUMQZZPRSA-N 0 3 250.293 -1.059 20 0 CAADHN C[C@@H](C(=O)N[C@@H]1CNCCC1(F)F)N1CCNCC1=O ZINC000876865268 582263406 /nfs/dbraw/zinc/26/34/06/582263406.db2.gz WUDJSWRNRVLOHQ-DTWKUNHWSA-N 0 3 290.314 -1.080 20 0 CAADHN C[C@@H](C(=O)N[C@H]1CNCCC1(F)F)N1CCNCC1=O ZINC000876865269 582263427 /nfs/dbraw/zinc/26/34/27/582263427.db2.gz WUDJSWRNRVLOHQ-IUCAKERBSA-N 0 3 290.314 -1.080 20 0 CAADHN CN1C(=O)CN(CC(=O)N[C@H]2CNCCC2(F)F)C1=O ZINC000876864593 582263440 /nfs/dbraw/zinc/26/34/40/582263440.db2.gz OKQBBQVUTALSND-ZETCQYMHSA-N 0 3 290.270 -1.006 20 0 CAADHN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)[C@@H](N)CN(C)C ZINC000876901436 582263571 /nfs/dbraw/zinc/26/35/71/582263571.db2.gz CHVYDHHXMPYZMK-LPEHRKFASA-N 0 3 273.333 -1.600 20 0 CAADHN C[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)[C@H](C(N)=O)C1 ZINC000876884527 582263594 /nfs/dbraw/zinc/26/35/94/582263594.db2.gz KWQARXSLKBMBPA-GUBZILKMSA-N 0 3 256.350 -1.012 20 0 CAADHN CN(C)C[C@H](N)C(=O)N(C)CCN1CCOCC1 ZINC000876877493 582263635 /nfs/dbraw/zinc/26/36/35/582263635.db2.gz CGBSVCSYYNERAA-NSHDSACASA-N 0 3 258.366 -1.334 20 0 CAADHN CCN1CCCN(C(=O)[C@@H](N)CN(C)C)CC1=O ZINC000876898759 582263640 /nfs/dbraw/zinc/26/36/40/582263640.db2.gz CXZGTHJXHQQOJO-JTQLQIEISA-N 0 3 256.350 -1.044 20 0 CAADHN CN(C)C[C@H](N)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000876902628 582263690 /nfs/dbraw/zinc/26/36/90/582263690.db2.gz OZXXBKRXDMOHCF-ZJUUUORDSA-N 0 3 292.405 -1.585 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H](N)CN(C)C ZINC000876901334 582263694 /nfs/dbraw/zinc/26/36/94/582263694.db2.gz CHVYDHHXMPYZMK-GUBZILKMSA-N 0 3 273.333 -1.600 20 0 CAADHN COC[C@@]1(C(=O)NC[C@H]2CNCCO2)CNCCO1 ZINC000876917895 582263711 /nfs/dbraw/zinc/26/37/11/582263711.db2.gz XKUNDHSHNCEUKQ-ZYHUDNBSSA-N 0 3 273.333 -1.904 20 0 CAADHN O=C(/C=C/CN1CCOCC1)NC[C@@H]1CNCCO1 ZINC000876916887 582263734 /nfs/dbraw/zinc/26/37/34/582263734.db2.gz IQWBKNKMXARHHZ-ISUDXETCSA-N 0 3 269.345 -1.021 20 0 CAADHN O=C(/C=C\CN1CCOCC1)NC[C@@H]1CNCCO1 ZINC000876916886 582263740 /nfs/dbraw/zinc/26/37/40/582263740.db2.gz IQWBKNKMXARHHZ-BIOMNHJASA-N 0 3 269.345 -1.021 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000876910611 582263784 /nfs/dbraw/zinc/26/37/84/582263784.db2.gz HDJSWAKUENMYPA-UTLUCORTSA-N 0 3 270.333 -1.168 20 0 CAADHN O=C(/C=C/CN1CCOCC1)NC[C@H]1CNCCO1 ZINC000876916889 582263828 /nfs/dbraw/zinc/26/38/28/582263828.db2.gz IQWBKNKMXARHHZ-YYRQZUAOSA-N 0 3 269.345 -1.021 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H](N)CN(C)C ZINC000876966420 582263889 /nfs/dbraw/zinc/26/38/89/582263889.db2.gz UXGNDXWHXYPUGW-NSHDSACASA-N 0 3 287.408 -1.646 20 0 CAADHN O=C(CN1CCNCC1)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000876954021 582263897 /nfs/dbraw/zinc/26/38/97/582263897.db2.gz AXELMKIZGZMUIL-NSHDSACASA-N 0 3 282.344 -1.009 20 0 CAADHN CCNCC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000876986291 582263905 /nfs/dbraw/zinc/26/39/05/582263905.db2.gz AHUFGOJRBLJXOJ-NSHDSACASA-N 0 3 259.350 -1.253 20 0 CAADHN COC(=O)[C@]1(F)CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876957384 582263944 /nfs/dbraw/zinc/26/39/44/582263944.db2.gz ZLIGUHCQYILRMO-KWQFWETISA-N 0 3 261.297 -1.011 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)CCN1S(C)(=O)=O ZINC000876969553 582263967 /nfs/dbraw/zinc/26/39/67/582263967.db2.gz SVHWRMBWNDUISD-ZJUUUORDSA-N 0 3 292.405 -1.632 20 0 CAADHN CN(C)C[C@H](N)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000876954265 582263978 /nfs/dbraw/zinc/26/39/78/582263978.db2.gz FJVNGVNHXHBUQY-UWVGGRQHSA-N 0 3 270.333 -1.025 20 0 CAADHN CNC(=O)NC[C@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000877000096 582264011 /nfs/dbraw/zinc/26/40/11/582264011.db2.gz KJWXPGRUAWLGQP-CABZTGNLSA-N 0 3 288.323 -1.156 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)CN1CCNCC1 ZINC000877090770 582264264 /nfs/dbraw/zinc/26/42/64/582264264.db2.gz BKNJGNPLAKDNMA-VIFPVBQESA-N 0 3 258.322 -1.584 20 0 CAADHN NC(=O)C[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000877080467 582264280 /nfs/dbraw/zinc/26/42/80/582264280.db2.gz QXYZPMCSWQEHDG-LDYMZIIASA-N 0 3 259.281 -1.209 20 0 CAADHN CCNCC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000877087588 582264300 /nfs/dbraw/zinc/26/43/00/582264300.db2.gz MUZQTUGFCCOSPN-SECBINFHSA-N 0 3 279.362 -1.628 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000877090027 582264310 /nfs/dbraw/zinc/26/43/10/582264310.db2.gz YNQITUGJMHYRFE-DTWKUNHWSA-N 0 3 259.306 -1.111 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)C[C@@H]1CNCCO1 ZINC000877109039 582264462 /nfs/dbraw/zinc/26/44/62/582264462.db2.gz YNQITUGJMHYRFE-RKDXNWHRSA-N 0 3 259.306 -1.111 20 0 CAADHN CCNCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC000877159972 582264525 /nfs/dbraw/zinc/26/45/25/582264525.db2.gz BHUGXPHWCVOHGG-YUMQZZPRSA-N 0 3 259.306 -1.222 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)[C@@]1(F)CCNC1 ZINC000877195643 582264586 /nfs/dbraw/zinc/26/45/86/582264586.db2.gz LBHKGVUSSNRIEA-SECBINFHSA-N 0 3 267.326 -1.257 20 0 CAADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@]1(F)CCNC1 ZINC000877160211 582264588 /nfs/dbraw/zinc/26/45/88/582264588.db2.gz HYSVHDQVMJLVIT-YVZVNANGSA-N 0 3 289.307 -1.130 20 0 CAADHN CNC(=O)NC[C@@H]1COCCN1C(=O)[C@@]1(F)CCNC1 ZINC000877221144 582264728 /nfs/dbraw/zinc/26/47/28/582264728.db2.gz NSWGYDMTUFMHCB-BXKDBHETSA-N 0 3 288.323 -1.156 20 0 CAADHN CCN[C@@H](C)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000877249243 582264786 /nfs/dbraw/zinc/26/47/86/582264786.db2.gz UPFSFIIXIKMBMH-GXFFZTMASA-N 0 3 285.344 -1.272 20 0 CAADHN CCN[C@H](C)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000877249245 582264807 /nfs/dbraw/zinc/26/48/07/582264807.db2.gz UPFSFIIXIKMBMH-ZWNOBZJWSA-N 0 3 285.344 -1.272 20 0 CAADHN O=C(CN1CCNCC1)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000877269152 582264821 /nfs/dbraw/zinc/26/48/21/582264821.db2.gz DYBFNMVKIOXAKZ-YPMHNXCESA-N 0 3 296.371 -1.602 20 0 CAADHN CCN[C@H](C)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000877249244 582264865 /nfs/dbraw/zinc/26/48/65/582264865.db2.gz UPFSFIIXIKMBMH-MFKMUULPSA-N 0 3 285.344 -1.272 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000877271935 582265024 /nfs/dbraw/zinc/26/50/24/582265024.db2.gz YKZPXZOAQTXMQO-HBNTYKKESA-N 0 3 284.360 -1.619 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877394644 582265270 /nfs/dbraw/zinc/26/52/70/582265270.db2.gz WGULRWHKNRWUSL-UFBFGSQYSA-N 0 3 266.301 -1.061 20 0 CAADHN CN(CCn1cnnn1)C[C@H](O)CN1CCOCC1 ZINC000878178624 582265829 /nfs/dbraw/zinc/26/58/29/582265829.db2.gz IBYOLNZEHQOBFE-NSHDSACASA-N 0 3 270.337 -1.702 20 0 CAADHN CN1CCC(NC(=O)CN2CCN(C(=O)CO)CC2)CC1 ZINC000878304431 582265945 /nfs/dbraw/zinc/26/59/45/582265945.db2.gz GWZFHODRSVVLEC-UHFFFAOYSA-N 0 3 298.387 -1.667 20 0 CAADHN COC(=O)C[C@]1(NCCn2cnnn2)CCOC1 ZINC000878438132 582266128 /nfs/dbraw/zinc/26/61/28/582266128.db2.gz XFOASFYAVQCSJE-SNVBAGLBSA-N 0 3 255.278 -1.015 20 0 CAADHN COCCN1CN(CC(=O)NC2CCN(C)CC2)CC1=O ZINC000878566466 582266284 /nfs/dbraw/zinc/26/62/84/582266284.db2.gz DWLPDHLKXVOAMI-UHFFFAOYSA-N 0 3 298.387 -1.055 20 0 CAADHN COC(=O)[C@H]1CN(C)CCN(CCn2cnnn2)C1 ZINC000878708792 582266545 /nfs/dbraw/zinc/26/65/45/582266545.db2.gz XXINXKOXBCKZPL-JTQLQIEISA-N 0 3 268.321 -1.290 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN(CCn2cnnn2)C1 ZINC000878708793 582266570 /nfs/dbraw/zinc/26/65/70/582266570.db2.gz XXINXKOXBCKZPL-SNVBAGLBSA-N 0 3 268.321 -1.290 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN(CCc2nnnn2C)C1 ZINC000878708483 582266613 /nfs/dbraw/zinc/26/66/13/582266613.db2.gz PXKXEDQXZWCKKQ-SNVBAGLBSA-N 0 3 282.348 -1.211 20 0 CAADHN NC(=O)[C@@H]1CN(CCOC(F)F)C[C@H]1C(N)=O ZINC000878974119 582267065 /nfs/dbraw/zinc/26/70/65/582267065.db2.gz VSIGBYLGGQEYED-PHDIDXHHSA-N 0 3 251.233 -1.256 20 0 CAADHN CCN(CCO)CCNC(=O)C[C@H]1CCNC1=O ZINC000879510726 582267458 /nfs/dbraw/zinc/26/74/58/582267458.db2.gz WUGYKJTTZDRGOX-SNVBAGLBSA-N 0 3 257.334 -1.057 20 0 CAADHN COC(=O)[C@@](C)(O)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535206 582267576 /nfs/dbraw/zinc/26/75/76/582267576.db2.gz JPMJSYJESUPDIH-SXMVTHIZSA-N 0 3 270.285 -1.543 20 0 CAADHN CN1CC[C@H](N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000879534033 582267628 /nfs/dbraw/zinc/26/76/28/582267628.db2.gz LCUNMRUITHQJGY-YIZRAAEISA-N 0 3 251.286 -1.236 20 0 CAADHN CN1C(=O)[C@H]2CN(C[C@@H]3COCCO3)C[C@H]2C1=O ZINC000879535523 582267642 /nfs/dbraw/zinc/26/76/42/582267642.db2.gz OUZPQOQNTYNTJJ-BBBLOLIVSA-N 0 3 254.286 -1.052 20 0 CAADHN CN1C(=O)[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]2C1=O ZINC000879532508 582267658 /nfs/dbraw/zinc/26/76/58/582267658.db2.gz ZMTKWCLENZUGHB-DTORHVGOSA-N 0 3 279.296 -1.318 20 0 CAADHN COC(=O)[C@](C)(O)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535205 582267673 /nfs/dbraw/zinc/26/76/73/582267673.db2.gz JPMJSYJESUPDIH-RGNHYFCHSA-N 0 3 270.285 -1.543 20 0 CAADHN CN1C(=O)[C@H]2CN(CCN3CCOC3=O)C[C@H]2C1=O ZINC000879531922 582267741 /nfs/dbraw/zinc/26/77/41/582267741.db2.gz MDCYCEZSWKXCST-DTORHVGOSA-N 0 3 267.285 -1.015 20 0 CAADHN CN1C(=O)[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]2C1=O ZINC000879534708 582267747 /nfs/dbraw/zinc/26/77/47/582267747.db2.gz VAKKYOOOJVUNJT-RNJXMRFFSA-N 0 3 265.269 -1.662 20 0 CAADHN CN1CCN(C(=O)CCN2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000879610993 582267785 /nfs/dbraw/zinc/26/77/85/582267785.db2.gz XMKXSKMZTJDKLY-NEPJUHHUSA-N 0 3 271.361 -1.422 20 0 CAADHN C[C@H]1NC(=O)N(CCN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000879536029 582267991 /nfs/dbraw/zinc/26/79/91/582267991.db2.gz YZDHDKQIRMGBBX-HLTSFMKQSA-N 0 3 294.311 -1.527 20 0 CAADHN Cn1nc(NC(=O)NCCN2CC[C@@H](O)C2)ccc1=O ZINC000879906914 582268363 /nfs/dbraw/zinc/26/83/63/582268363.db2.gz OFEPQIPMHTZSAN-SECBINFHSA-N 0 3 281.316 -1.032 20 0 CAADHN COCCN(C)C[C@@H](O)CN1C[C@H](O)C[C@@H]1C(=O)OC ZINC000879743564 582268437 /nfs/dbraw/zinc/26/84/37/582268437.db2.gz QWVXIZFPGYNJKH-IJLUTSLNSA-N 0 3 290.360 -1.466 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CCNC1=O ZINC000879990453 582268505 /nfs/dbraw/zinc/26/85/05/582268505.db2.gz CQTLAKMKOUNVFR-ZJUUUORDSA-N 0 3 255.318 -1.305 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCNC1=O ZINC000879990452 582268556 /nfs/dbraw/zinc/26/85/56/582268556.db2.gz CQTLAKMKOUNVFR-VHSXEESVSA-N 0 3 255.318 -1.305 20 0 CAADHN CCNC(=O)NC(=O)CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880068826 582268739 /nfs/dbraw/zinc/26/87/39/582268739.db2.gz KQABZKBMOACKOT-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN COC(=O)CCNC(=O)CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880069196 582268795 /nfs/dbraw/zinc/26/87/95/582268795.db2.gz YZIMUNASAGGCIO-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN Cn1nnnc1CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880069305 582268838 /nfs/dbraw/zinc/26/88/38/582268838.db2.gz DQOLIRKGWIRSMI-VHSXEESVSA-N 0 3 252.322 -1.149 20 0 CAADHN CN(CCS(N)(=O)=O)C[C@@H](O)CN(C)C1CC1 ZINC000880085751 582268887 /nfs/dbraw/zinc/26/88/87/582268887.db2.gz UXDTXOVSKZQHFX-SNVBAGLBSA-N 0 3 265.379 -1.338 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nnn(C)n1 ZINC000880417552 582269483 /nfs/dbraw/zinc/26/94/83/582269483.db2.gz PGJFUAQPKNWKCR-QMMMGPOBSA-N 0 3 281.320 -1.598 20 0 CAADHN OC[C@@H]1C=CCN1CC(O)CN1CC=C[C@H]1CO ZINC000880489313 582269507 /nfs/dbraw/zinc/26/95/07/582269507.db2.gz SHQIRXUGBLVOIK-RYUDHWBXSA-N 0 3 254.330 -1.187 20 0 CAADHN COC(=O)[C@@]1(O)CCN(C[C@@H](O)Cn2cccn2)C1 ZINC000880560351 582269726 /nfs/dbraw/zinc/26/97/26/582269726.db2.gz ALDDAWGARUHWQZ-ZYHUDNBSSA-N 0 3 269.301 -1.146 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CC[C@@](O)(C(=O)OC)C1 ZINC000880564904 582269890 /nfs/dbraw/zinc/26/98/90/582269890.db2.gz HCXDRLGHSLWWMZ-YPMHNXCESA-N 0 3 290.360 -1.465 20 0 CAADHN COC(=O)[C@]1(O)CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000880567290 582269919 /nfs/dbraw/zinc/26/99/19/582269919.db2.gz YNRPSTAJCQTMAH-AWEZNQCLSA-N 0 3 299.371 -1.240 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@H]1CCNC1=O ZINC000880684758 582270146 /nfs/dbraw/zinc/27/01/46/582270146.db2.gz GVNIYRXPBAYQTP-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN Cn1nnn(CC(=O)NC2CCN(C)CC2)c1=O ZINC000882232698 582271087 /nfs/dbraw/zinc/27/10/87/582271087.db2.gz UEEQXTKHBNRNBN-UHFFFAOYSA-N 0 3 254.294 -1.813 20 0 CAADHN COC(=O)[C@]1(O)CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000882835175 582271702 /nfs/dbraw/zinc/27/17/02/582271702.db2.gz ORFPLFPVQHGLEO-NSHDSACASA-N 0 3 294.373 -1.122 20 0 CAADHN COC(=O)[C@@]1(O)CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000882853757 582271846 /nfs/dbraw/zinc/27/18/46/582271846.db2.gz PRKUVAUNVBWWQI-BXUZGUMPSA-N 0 3 297.355 -1.487 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1CCn1cnnn1 ZINC000883428040 582272197 /nfs/dbraw/zinc/27/21/97/582272197.db2.gz KAYVNJOKOVPWIH-VIFPVBQESA-N 0 3 254.294 -1.490 20 0 CAADHN O=C([C@H]1CCCN(CCn2cnnn2)C1)N1CCNCC1 ZINC000883415767 582272203 /nfs/dbraw/zinc/27/22/03/582272203.db2.gz DQEFUCNDUNBQTO-LBPRGKRZSA-N 0 3 293.375 -1.183 20 0 CAADHN CNC(=O)CCN(C)C(=O)C(=O)N1CCCC[C@H]1CN ZINC000883650931 582272375 /nfs/dbraw/zinc/27/23/75/582272375.db2.gz BEWOZVJTYUYJLJ-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CCO1 ZINC000883649886 582272390 /nfs/dbraw/zinc/27/23/90/582272390.db2.gz LFLGFPGJBQDWGU-SRVKXCTJSA-N 0 3 299.371 -1.066 20 0 CAADHN C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CCO1 ZINC000883649884 582272432 /nfs/dbraw/zinc/27/24/32/582272432.db2.gz LFLGFPGJBQDWGU-GRYCIOLGSA-N 0 3 299.371 -1.066 20 0 CAADHN CC[C@@H](C(=O)N1CC2(C1)NC(=O)NC2=O)N(C)C ZINC000889301217 582272701 /nfs/dbraw/zinc/27/27/01/582272701.db2.gz QEJJRNVFYDXRJG-ZETCQYMHSA-N 0 3 254.290 -1.253 20 0 CAADHN CC[C@H](C(=O)N1CC2(C1)NC(=O)NC2=O)N(C)C ZINC000889301211 582272720 /nfs/dbraw/zinc/27/27/20/582272720.db2.gz QEJJRNVFYDXRJG-SSDOTTSWSA-N 0 3 254.290 -1.253 20 0 CAADHN N[C@@H](CC1CC1)C(=O)NCC(=O)N1CCNCC1 ZINC000884015943 582272743 /nfs/dbraw/zinc/27/27/43/582272743.db2.gz IMAMHFLTAUXBEP-JTQLQIEISA-N 0 3 254.334 -1.338 20 0 CAADHN CN(CC(=O)N1CC2(C1)NC(=O)NC2=O)C1CCC1 ZINC000889302600 582272968 /nfs/dbraw/zinc/27/29/68/582272968.db2.gz VISPAWSQCMXUNU-UHFFFAOYSA-N 0 3 266.301 -1.109 20 0 CAADHN CN(C)C1(C(=O)N2CC3(C2)NC(=O)NC3=O)CCC1 ZINC000889303365 582273358 /nfs/dbraw/zinc/27/33/58/582273358.db2.gz GQLITNQLRAHTJO-UHFFFAOYSA-N 0 3 266.301 -1.109 20 0 CAADHN N[C@H](CC1CC1)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000884194445 582273961 /nfs/dbraw/zinc/27/39/61/582273961.db2.gz JOMUCJRURZQIGP-LLVKDONJSA-N 0 3 289.401 -1.040 20 0 CAADHN COCCNCCNC(=O)CN1CCCCS1(=O)=O ZINC000884241790 582274172 /nfs/dbraw/zinc/27/41/72/582274172.db2.gz BWWNEPAXODRPLL-UHFFFAOYSA-N 0 3 293.389 -1.236 20 0 CAADHN COCC[C@@H](N)C(=O)N(CCOC)CC(=O)OC ZINC000884311548 582274455 /nfs/dbraw/zinc/27/44/55/582274455.db2.gz FOWMJPWGSHLLLS-SECBINFHSA-N 0 3 262.306 -1.002 20 0 CAADHN COCC[C@@H](N)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000884331085 582274626 /nfs/dbraw/zinc/27/46/26/582274626.db2.gz FQLGVWPUVCGHSZ-VHSXEESVSA-N 0 3 293.389 -1.158 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000884410019 582274820 /nfs/dbraw/zinc/27/48/20/582274820.db2.gz YFCHCLYFQWVXEV-BDAKNGLRSA-N 0 3 279.362 -1.548 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000884404961 582274831 /nfs/dbraw/zinc/27/48/31/582274831.db2.gz CHWLUAYKPUOTJB-QWRGUYRKSA-N 0 3 257.334 -1.107 20 0 CAADHN N[C@@H](CC1CC1)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000884469999 582275038 /nfs/dbraw/zinc/27/50/38/582275038.db2.gz BTSYRLLQZINCAZ-SMDDNHRTSA-N 0 3 297.355 -1.142 20 0 CAADHN N[C@H](CC1CC1)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000884469996 582275053 /nfs/dbraw/zinc/27/50/53/582275053.db2.gz BTSYRLLQZINCAZ-BXUZGUMPSA-N 0 3 297.355 -1.142 20 0 CAADHN CCN(C)C(=O)CNC(=O)C(=O)N1CCCC[C@H]1CN ZINC000884510635 582275194 /nfs/dbraw/zinc/27/51/94/582275194.db2.gz LWBVJGAMSHZSSF-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CCN(C)C(=O)CNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000884510225 582275219 /nfs/dbraw/zinc/27/52/19/582275219.db2.gz BKPMVATYYUMOSR-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CN)[C@@H]1CN(C)CCO1 ZINC000884571445 582275544 /nfs/dbraw/zinc/27/55/44/582275544.db2.gz PONCXWIICTYDMU-UTUOFQBUSA-N 0 3 298.387 -1.229 20 0 CAADHN CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C(=O)NCCN ZINC000884672884 582275793 /nfs/dbraw/zinc/27/57/93/582275793.db2.gz GADSLADYJAYMBC-BDAKNGLRSA-N 0 3 268.317 -1.717 20 0 CAADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000884642535 582275825 /nfs/dbraw/zinc/27/58/25/582275825.db2.gz LMDLWYKVKGKCGZ-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN CC(=O)C1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000884693193 582276213 /nfs/dbraw/zinc/27/62/13/582276213.db2.gz PVELOCUXSUKZBL-UHFFFAOYSA-N 0 3 253.302 -1.098 20 0 CAADHN CN1CCN(C(=O)C(=O)NC2CNC2)CC1(C)C ZINC000884692878 582276226 /nfs/dbraw/zinc/27/62/26/582276226.db2.gz CJHQQUYXUJGICD-UHFFFAOYSA-N 0 3 254.334 -1.373 20 0 CAADHN COC[C@@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CCCOC1 ZINC000884693340 582276239 /nfs/dbraw/zinc/27/62/39/582276239.db2.gz VTRHMCLXWPHEDJ-MWLCHTKSSA-N 0 3 285.344 -1.368 20 0 CAADHN CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)NC1CNC1 ZINC000884693124 582276264 /nfs/dbraw/zinc/27/62/64/582276264.db2.gz MRURQGNMDOZTRF-UWVGGRQHSA-N 0 3 271.317 -1.663 20 0 CAADHN COC[C@H](NC(=O)C(=O)NC1CNC1)[C@H]1CCCOC1 ZINC000884693341 582276279 /nfs/dbraw/zinc/27/62/79/582276279.db2.gz VTRHMCLXWPHEDJ-ONGXEEELSA-N 0 3 285.344 -1.368 20 0 CAADHN O=C(NC1CNC1)C(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000884692933 582276290 /nfs/dbraw/zinc/27/62/90/582276290.db2.gz FFMFYGCWQGUFIM-FKTZTGRPSA-N 0 3 253.302 -1.696 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000884704979 582276372 /nfs/dbraw/zinc/27/63/72/582276372.db2.gz BBWLGSZKWKHVSN-LPEHRKFASA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000884704575 582276382 /nfs/dbraw/zinc/27/63/82/582276382.db2.gz LVQAWYMTSJZZEA-RGOKHQFPSA-N 0 3 255.318 -1.321 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1(C)C ZINC000884726286 582276558 /nfs/dbraw/zinc/27/65/58/582276558.db2.gz MYGVKTCAWAUIHI-NSHDSACASA-N 0 3 298.387 -1.356 20 0 CAADHN CN(CCN)C(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000885232168 582277030 /nfs/dbraw/zinc/27/70/30/582277030.db2.gz XFHFLDPSSJRAJR-JTQLQIEISA-N 0 3 282.344 -1.469 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000885230207 582277081 /nfs/dbraw/zinc/27/70/81/582277081.db2.gz IOVVOHKZZSBRJD-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000885230208 582277143 /nfs/dbraw/zinc/27/71/43/582277143.db2.gz IOVVOHKZZSBRJD-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C)C1(CS(=O)(=O)NCCN(C)CCO)CC1 ZINC000885803944 582277921 /nfs/dbraw/zinc/27/79/21/582277921.db2.gz BUNDJJLZVQCAMJ-UHFFFAOYSA-N 0 3 279.406 -1.076 20 0 CAADHN CC[C@H](C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)N(C)C ZINC000886178506 582278353 /nfs/dbraw/zinc/27/83/53/582278353.db2.gz YIQCQNDEZFDBMY-VHSXEESVSA-N 0 3 290.389 -1.313 20 0 CAADHN CC(C)N(C)CC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886191615 582278610 /nfs/dbraw/zinc/27/86/10/582278610.db2.gz SOZLSDCTPOVIFR-JTQLQIEISA-N 0 3 290.389 -1.313 20 0 CAADHN CC(C)N(C)CC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886191616 582278637 /nfs/dbraw/zinc/27/86/37/582278637.db2.gz SOZLSDCTPOVIFR-SNVBAGLBSA-N 0 3 290.389 -1.313 20 0 CAADHN CCN(CC)CC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886189566 582278660 /nfs/dbraw/zinc/27/86/60/582278660.db2.gz PEALQGLSTGBRKC-SNVBAGLBSA-N 0 3 290.389 -1.311 20 0 CAADHN Cn1nccc1[C@H](O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000886253394 582278761 /nfs/dbraw/zinc/27/87/61/582278761.db2.gz VJNCSGRMXRTXQT-CHWSQXEVSA-N 0 3 293.371 -1.040 20 0 CAADHN COC[C@@H](NCC(=O)N1CCNC(=O)C1)[C@H]1CCCOC1 ZINC000886905962 582279290 /nfs/dbraw/zinc/27/92/90/582279290.db2.gz PIFCZNJHMBIJSN-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN COC[C@H](NCC(=O)N1CCNC(=O)C1)[C@H]1CCCOC1 ZINC000886905963 582279303 /nfs/dbraw/zinc/27/93/03/582279303.db2.gz PIFCZNJHMBIJSN-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@@]2(C)CCNC2=O)CC1=O ZINC000889038502 582280713 /nfs/dbraw/zinc/28/07/13/582280713.db2.gz KDSMCYQCEFRFIU-YGRLFVJLSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN)C(=O)C(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000887093337 582280722 /nfs/dbraw/zinc/28/07/22/582280722.db2.gz HWSUQFAFXGKSAX-VHSXEESVSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000887088184 582280732 /nfs/dbraw/zinc/28/07/32/582280732.db2.gz VXFKPOABBCVRAF-NWDGAFQWSA-N 0 3 298.387 -1.539 20 0 CAADHN Cc1nc2n(n1)CCN(C(=O)C(=O)N1CCC[C@@H]1CN)C2 ZINC000887088003 582280759 /nfs/dbraw/zinc/28/07/59/582280759.db2.gz IVNLITWTCNABFG-SNVBAGLBSA-N 0 3 292.343 -1.122 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCn2ncnc2C1 ZINC000887087965 582280804 /nfs/dbraw/zinc/28/08/04/582280804.db2.gz FWLODGCOANSJAU-SECBINFHSA-N 0 3 278.316 -1.430 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000224156098 582280986 /nfs/dbraw/zinc/28/09/86/582280986.db2.gz QBFSVFCTTZPZOX-GMTAPVOTSA-N 0 3 285.344 -1.144 20 0 CAADHN C[N@@H+]1C[C@@H]2CN(C(=O)CN3CC(=O)[N-]C3=O)C[C@]2(C)C1 ZINC000887933295 582280991 /nfs/dbraw/zinc/28/09/91/582280991.db2.gz LMCPYFPKWHSXOX-RNCFNFMXSA-N 0 3 280.328 -1.052 20 0 CAADHN C[N@H+]1C[C@@H]2CN(C(=O)CN3CC(=O)[N-]C3=O)C[C@]2(C)C1 ZINC000887933295 582280992 /nfs/dbraw/zinc/28/09/92/582280992.db2.gz LMCPYFPKWHSXOX-RNCFNFMXSA-N 0 3 280.328 -1.052 20 0 CAADHN CN1CCN(C)CC(C(=O)N[C@@]2(C)CCNC2=O)C1 ZINC000889024695 582281257 /nfs/dbraw/zinc/28/12/57/582281257.db2.gz HTQWLACYGMRFCA-ZDUSSCGKSA-N 0 3 268.361 -1.125 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889783762 582281483 /nfs/dbraw/zinc/28/14/83/582281483.db2.gz XHYKYKDGHLVFAC-MNOVXSKESA-N 0 3 280.332 -1.269 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889783768 582281503 /nfs/dbraw/zinc/28/15/03/582281503.db2.gz XHYKYKDGHLVFAC-WDEREUQCSA-N 0 3 280.332 -1.269 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889763942 582281526 /nfs/dbraw/zinc/28/15/26/582281526.db2.gz PCSBQTLTNWRPPE-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN O=C([C@H]1CC(=O)N1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889751537 582281532 /nfs/dbraw/zinc/28/15/32/582281532.db2.gz RFGDYFIWOKBEFE-OUAUKWLOSA-N 0 3 267.329 -1.068 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889783756 582281545 /nfs/dbraw/zinc/28/15/45/582281545.db2.gz XHYKYKDGHLVFAC-GHMZBOCLSA-N 0 3 280.332 -1.269 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889763938 582281548 /nfs/dbraw/zinc/28/15/48/582281548.db2.gz PCSBQTLTNWRPPE-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN1CCC(C)(C)C1 ZINC000890071696 582281628 /nfs/dbraw/zinc/28/16/28/582281628.db2.gz FMFCZHOOYHCXQI-UHFFFAOYSA-N 0 3 292.405 -1.112 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962085196 617299421 /nfs/dbraw/zinc/29/94/21/617299421.db2.gz OJNLDGXEJBZILQ-AXTSPUMRSA-N 0 3 292.343 -1.059 20 0 CAADHN COc1cncc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958464047 617333767 /nfs/dbraw/zinc/33/37/67/617333767.db2.gz SSRJXJNHGNAQRL-ONGXEEELSA-N 0 3 296.327 -1.500 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970753562 613426851 /nfs/dbraw/zinc/42/68/51/613426851.db2.gz PYCVSQPSNXZBMA-MNOVXSKESA-N 0 3 298.343 -2.091 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970608023 613443122 /nfs/dbraw/zinc/44/31/22/613443122.db2.gz JMBYKDUAOHKZCM-MNOVXSKESA-N 0 3 298.343 -2.091 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1 ZINC000962438151 613446416 /nfs/dbraw/zinc/44/64/16/613446416.db2.gz NJWCKKVJUUCBMD-QNWHQSFQSA-N 0 3 297.355 -1.728 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970590843 613450544 /nfs/dbraw/zinc/45/05/44/613450544.db2.gz IOOZTTYFHFGXOE-GHMZBOCLSA-N 0 3 282.344 -1.469 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1 ZINC000962442992 613451085 /nfs/dbraw/zinc/45/10/85/613451085.db2.gz SRHHDYSZWNPUKQ-NDBYEHHHSA-N 0 3 281.356 -1.107 20 0 CAADHN CC(=O)N1CC[C@@H](NCC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000965965225 613473985 /nfs/dbraw/zinc/47/39/85/613473985.db2.gz NRRROXOQWCJSHF-NWDGAFQWSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970429865 613512387 /nfs/dbraw/zinc/51/23/87/613512387.db2.gz HJYQKNMJCSZHSI-BXUZGUMPSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1 ZINC000962443632 613523337 /nfs/dbraw/zinc/52/33/37/613523337.db2.gz SRHHDYSZWNPUKQ-WUHRBBMRSA-N 0 3 281.356 -1.107 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)C1 ZINC000968514489 613759161 /nfs/dbraw/zinc/75/91/61/613759161.db2.gz QRUZSZFSDGIYGB-LDYMZIIASA-N 0 3 282.344 -1.471 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)C1 ZINC000968514487 613759176 /nfs/dbraw/zinc/75/91/76/613759176.db2.gz QRUZSZFSDGIYGB-GZMMTYOYSA-N 0 3 282.344 -1.471 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)C1 ZINC000958014753 613760521 /nfs/dbraw/zinc/76/05/21/613760521.db2.gz IWDBBDRIYTVGCZ-ZYHUDNBSSA-N 0 3 285.344 -2.134 20 0 CAADHN CC(=O)NC[C@@H]1[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]21 ZINC000977683337 613938241 /nfs/dbraw/zinc/93/82/41/613938241.db2.gz ABJNEIAMPHAULJ-RTCCRHLQSA-N 0 3 280.328 -1.148 20 0 CAADHN CC(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)N(C)C ZINC000942303309 614073569 /nfs/dbraw/zinc/07/35/69/614073569.db2.gz QZCZKZBTVPUJBM-ZJUUUORDSA-N 0 3 284.360 -1.225 20 0 CAADHN CC(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)N(C)C ZINC000977084387 614075449 /nfs/dbraw/zinc/07/54/49/614075449.db2.gz ROMLPEFSLGRAID-ZDCRXTMVSA-N 0 3 296.371 -1.369 20 0 CAADHN CC(C)CN1CC(N2CCN(C(=O)C(N)=O)CC2)C1 ZINC000941545040 614081265 /nfs/dbraw/zinc/08/12/65/614081265.db2.gz JIPDCTSRFURKDR-UHFFFAOYSA-N 0 3 268.361 -1.044 20 0 CAADHN CC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000957992433 614187254 /nfs/dbraw/zinc/18/72/54/614187254.db2.gz OQVRTXPTHYLZED-LOKLDPHHSA-N 0 3 251.286 -1.142 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000968986886 614310900 /nfs/dbraw/zinc/31/09/00/614310900.db2.gz SZRVWVHIZKQDFE-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN CCCn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)nn1 ZINC000958552577 614518902 /nfs/dbraw/zinc/51/89/02/614518902.db2.gz VSRLPKHRFXMLFM-ZYHUDNBSSA-N 0 3 297.359 -1.297 20 0 CAADHN CC1(C)CN(CCCO)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974608734 614642293 /nfs/dbraw/zinc/64/22/93/614642293.db2.gz XZDWRVKMXZZCMQ-SNVBAGLBSA-N 0 3 282.348 -1.118 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000975039630 614662890 /nfs/dbraw/zinc/66/28/90/614662890.db2.gz RGFAIPHNHMTPNE-UTLUCORTSA-N 0 3 269.345 -1.073 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974993847 614662913 /nfs/dbraw/zinc/66/29/13/614662913.db2.gz JFJKUIGUZBBTKK-BDAKNGLRSA-N 0 3 270.333 -1.513 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)[C@H]1CCNC1=O ZINC000974907378 614663132 /nfs/dbraw/zinc/66/31/32/614663132.db2.gz YYCKOADRSSOENN-UWVGGRQHSA-N 0 3 269.345 -1.059 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000974910723 614664979 /nfs/dbraw/zinc/66/49/79/614664979.db2.gz IIQCMGOSGPOFGQ-LLVKDONJSA-N 0 3 298.387 -1.763 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)CN1CCOCC1=O ZINC000974672489 614665044 /nfs/dbraw/zinc/66/50/44/614665044.db2.gz IENWAPBNDKQJNP-LLVKDONJSA-N 0 3 299.371 -1.336 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC000974907380 614666527 /nfs/dbraw/zinc/66/65/27/614666527.db2.gz YYCKOADRSSOENN-VHSXEESVSA-N 0 3 269.345 -1.059 20 0 CAADHN CCCN1C[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1=O ZINC000970123003 614797906 /nfs/dbraw/zinc/79/79/06/614797906.db2.gz JXFGYBLHYWJYRJ-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969147383 615167162 /nfs/dbraw/zinc/16/71/62/615167162.db2.gz WVWQZPFNPSMYJK-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN CCN1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC1=O ZINC000960185936 615336540 /nfs/dbraw/zinc/33/65/40/615336540.db2.gz VKFSXVLOBRRMAF-MEWQQHAOSA-N 0 3 281.356 -1.107 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1)N(C)C ZINC000974953896 615375628 /nfs/dbraw/zinc/37/56/28/615375628.db2.gz CPALZAHVIGQQQP-OUAUKWLOSA-N 0 3 296.371 -1.129 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@H](N(C)C(=O)C(N)=O)C1)N(C)C ZINC000938915206 615376235 /nfs/dbraw/zinc/37/62/35/615376235.db2.gz AWJUTXDJXUWCDJ-UWVGGRQHSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC000938580455 615376318 /nfs/dbraw/zinc/37/63/18/615376318.db2.gz AZQBDIJOYOPFPN-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN CC[C@@H](C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1)N(C)C ZINC000961966271 615378892 /nfs/dbraw/zinc/37/88/92/615378892.db2.gz ROAHDJLDLVSKOE-AXFHLTTASA-N 0 3 296.371 -1.271 20 0 CAADHN CCN1C[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC1=O ZINC000960185934 615390809 /nfs/dbraw/zinc/39/08/09/615390809.db2.gz VKFSXVLOBRRMAF-DCQANWLSSA-N 0 3 281.356 -1.107 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CC(N)=O)C1)C(N)=O ZINC000968123991 615537380 /nfs/dbraw/zinc/53/73/80/615537380.db2.gz NWOKVLIAVOPDMU-HTQZYQBOSA-N 0 3 256.306 -1.684 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)Cn2ncnn2)C1)C(N)=O ZINC000968683599 615538011 /nfs/dbraw/zinc/53/80/11/615538011.db2.gz SHLRVUDOULLQCY-RKDXNWHRSA-N 0 3 281.320 -1.873 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1)C(N)=O ZINC000969621806 615538804 /nfs/dbraw/zinc/53/88/04/615538804.db2.gz DIWUUIKMRQSWNH-HTQZYQBOSA-N 0 3 281.320 -1.722 20 0 CAADHN CC[C@H](C(=O)N1CCCN(C(=O)C(N)=O)CC1)N(C)C ZINC000941490457 615600691 /nfs/dbraw/zinc/60/06/91/615600691.db2.gz SKQPIDOZLJEVHB-SNVBAGLBSA-N 0 3 284.360 -1.127 20 0 CAADHN CC[C@H](C(=O)N1CCC[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC000951237987 615600884 /nfs/dbraw/zinc/60/08/84/615600884.db2.gz AXLBFSPRIHVDHV-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@H](C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)N(C)C ZINC000942301802 615602142 /nfs/dbraw/zinc/60/21/42/615602142.db2.gz AZQBDIJOYOPFPN-RKDXNWHRSA-N 0 3 270.333 -1.471 20 0 CAADHN CC[C@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC000938580454 615603636 /nfs/dbraw/zinc/60/36/36/615603636.db2.gz AZQBDIJOYOPFPN-DTWKUNHWSA-N 0 3 270.333 -1.471 20 0 CAADHN CC[C@H](C(=O)N1CC[C@H](N(C)C(=O)C(N)=O)C1)N(C)C ZINC000938768120 615603735 /nfs/dbraw/zinc/60/37/35/615603735.db2.gz AWJUTXDJXUWCDJ-VHSXEESVSA-N 0 3 284.360 -1.129 20 0 CAADHN CCc1c(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cnn1C ZINC000958210946 615604429 /nfs/dbraw/zinc/60/44/29/615604429.db2.gz UYRWKALFVYHNPP-GXFFZTMASA-N 0 3 296.371 -1.003 20 0 CAADHN CC[C@H](C(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1)N(C)C ZINC000961838579 615605005 /nfs/dbraw/zinc/60/50/05/615605005.db2.gz ROAHDJLDLVSKOE-OUAUKWLOSA-N 0 3 296.371 -1.271 20 0 CAADHN CCc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)nn1C ZINC000958758492 615625151 /nfs/dbraw/zinc/62/51/51/615625151.db2.gz HTWSRUYMXMWKID-ZWNOBZJWSA-N 0 3 296.371 -1.003 20 0 CAADHN CCn1nc(C(=O)N2CC[C@@H](NCC(N)=O)C2)ccc1=O ZINC000970289307 615636397 /nfs/dbraw/zinc/63/63/97/615636397.db2.gz JSIAIYJWSVJNOS-SECBINFHSA-N 0 3 293.327 -1.447 20 0 CAADHN CCn1nc(C)c(C(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000970875711 615642149 /nfs/dbraw/zinc/64/21/49/615642149.db2.gz VWZLWTGGELYGTO-SECBINFHSA-N 0 3 280.332 -1.104 20 0 CAADHN CCn1ncc(C(=O)NC[C@H]2CN(CCOC)C[C@H]2O)n1 ZINC000958046713 615686620 /nfs/dbraw/zinc/68/66/20/615686620.db2.gz KTOBMKAKLQRRHG-CMPLNLGQSA-N 0 3 297.359 -1.033 20 0 CAADHN CCn1ncc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958046985 615686624 /nfs/dbraw/zinc/68/66/24/615686624.db2.gz NGTBGLLTJCKZGH-ONGXEEELSA-N 0 3 283.332 -1.687 20 0 CAADHN CCn1nccc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958004107 615721327 /nfs/dbraw/zinc/72/13/27/615721327.db2.gz DGRXEDUEJBJJJC-ZYHUDNBSSA-N 0 3 282.344 -1.082 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958203734 615721868 /nfs/dbraw/zinc/72/18/68/615721868.db2.gz UJTACORPXSUVSJ-JOYOIKCWSA-N 0 3 282.344 -1.013 20 0 CAADHN CCn1nccc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958004105 615721886 /nfs/dbraw/zinc/72/18/86/615721886.db2.gz DGRXEDUEJBJJJC-JQWIXIFHSA-N 0 3 282.344 -1.082 20 0 CAADHN CCn1nnc(C)c1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958129928 615740888 /nfs/dbraw/zinc/74/08/88/615740888.db2.gz AYXZPKCXQYMOHX-GHMZBOCLSA-N 0 3 297.359 -1.379 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000968589609 615746324 /nfs/dbraw/zinc/74/63/24/615746324.db2.gz AMUTXCQTQRZOJG-NXEZZACHSA-N 0 3 292.343 -1.009 20 0 CAADHN CCn1nncc1C(=O)NC[C@H]1CN(CCOC)C[C@@H]1O ZINC000958024752 615748282 /nfs/dbraw/zinc/74/82/82/615748282.db2.gz JCOWIZLPQXVFPR-JQWIXIFHSA-N 0 3 297.359 -1.033 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958631715 615766151 /nfs/dbraw/zinc/76/61/51/615766151.db2.gz VLYWQHOZVJEVMV-KOLCDFICSA-N 0 3 282.344 -1.013 20 0 CAADHN CN(C)C1(C(=O)N2CC(N(C)C(=O)C(N)=O)C2)CCC1 ZINC000955161255 615774327 /nfs/dbraw/zinc/77/43/27/615774327.db2.gz INDSEZHJKLQZSK-UHFFFAOYSA-N 0 3 282.344 -1.375 20 0 CAADHN CN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000955159748 615775006 /nfs/dbraw/zinc/77/50/06/615775006.db2.gz HPSVNMZWKJTHKU-VIFPVBQESA-N 0 3 268.317 -1.765 20 0 CAADHN CN(C)[C@@H](C(=O)N1CC(N(C)C(=O)C(N)=O)C1)C1CC1 ZINC000955161200 615775041 /nfs/dbraw/zinc/77/50/41/615775041.db2.gz HQHWTVUKZKYYQV-SNVBAGLBSA-N 0 3 282.344 -1.519 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938544180 615779703 /nfs/dbraw/zinc/77/97/03/615779703.db2.gz LMQXWZRIBYVKFE-JTQLQIEISA-N 0 3 282.344 -1.373 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1)C(N)=O ZINC000967448783 615822229 /nfs/dbraw/zinc/82/22/29/615822229.db2.gz CSTFSAKXUFWFLE-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)Cn2cnnn2)C1)C(N)=O ZINC000966892964 615822445 /nfs/dbraw/zinc/82/24/45/615822445.db2.gz XNBSDRZTIBLQCQ-BDAKNGLRSA-N 0 3 281.320 -1.873 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)C(N)=O ZINC000968467161 615822725 /nfs/dbraw/zinc/82/27/25/615822725.db2.gz TVGPGTAGOSXSNV-BDAKNGLRSA-N 0 3 296.331 -1.562 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(N)=O ZINC000970524818 615822767 /nfs/dbraw/zinc/82/27/67/615822767.db2.gz VSBOGXIFXNOQIM-UTLUCORTSA-N 0 3 282.344 -1.281 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)c2cn(C)nn2)C1)C(N)=O ZINC000968572330 615823073 /nfs/dbraw/zinc/82/30/73/615823073.db2.gz PMVVUSODNORIBK-BDAKNGLRSA-N 0 3 280.332 -1.117 20 0 CAADHN CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)CCC1 ZINC000977087119 615842446 /nfs/dbraw/zinc/84/24/46/615842446.db2.gz YTJAUFHCQVOWAE-MYJAWHEDSA-N 0 3 294.355 -1.471 20 0 CAADHN CCn1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cn1 ZINC000957940858 615949859 /nfs/dbraw/zinc/94/98/59/615949859.db2.gz WSWVDRFXUIZXSG-CMPLNLGQSA-N 0 3 282.344 -1.082 20 0 CAADHN CCn1cc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)nn1 ZINC000962174452 615960426 /nfs/dbraw/zinc/96/04/26/615960426.db2.gz HOYOBKYPHWYHDX-JZYVYDRUSA-N 0 3 265.317 -1.050 20 0 CAADHN CCn1cc(CC(=O)N2CC[C@@H](NCC(N)=O)C2)nn1 ZINC000969429466 615967742 /nfs/dbraw/zinc/96/77/42/615967742.db2.gz QHBBBMBSDVHTDB-SECBINFHSA-N 0 3 280.332 -1.484 20 0 CAADHN CN(C)[C@@H](C(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1)C1CC1 ZINC000951097765 615971561 /nfs/dbraw/zinc/97/15/61/615971561.db2.gz VKZQRQORNPUGRE-GHMZBOCLSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C)[C@@H](C(=O)N1CCC(NC(=O)C(N)=O)CC1)C1CC1 ZINC000947072752 615971763 /nfs/dbraw/zinc/97/17/63/615971763.db2.gz IOAMCMUVUKYDKJ-LLVKDONJSA-N 0 3 296.371 -1.081 20 0 CAADHN CC[C@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCNC1=O ZINC000968971359 615972520 /nfs/dbraw/zinc/97/25/20/615972520.db2.gz ZSKQCWKPUNCOCC-RNCFNFMXSA-N 0 3 282.344 -1.422 20 0 CAADHN CN(C)[C@H](C(=O)N1CCCN(C(=O)C(N)=O)CC1)C1CC1 ZINC000941351072 615987578 /nfs/dbraw/zinc/98/75/78/615987578.db2.gz GMKUKTCOTGXCGB-NSHDSACASA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C)[C@H](C(=O)N1CCC[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC000951097772 615987733 /nfs/dbraw/zinc/98/77/33/615987733.db2.gz VKZQRQORNPUGRE-QWRGUYRKSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C)[C@H](C(=O)N1CC[C@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC000938683365 615987840 /nfs/dbraw/zinc/98/78/40/615987840.db2.gz KDNODOZLXXYXBM-QWRGUYRKSA-N 0 3 296.371 -1.129 20 0 CAADHN CCn1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958462779 616019781 /nfs/dbraw/zinc/01/97/81/616019781.db2.gz GPZGCQGTGAETEJ-ZYHUDNBSSA-N 0 3 282.344 -1.082 20 0 CAADHN CN(CC(N)=O)[C@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC000972244551 616056127 /nfs/dbraw/zinc/05/61/27/616056127.db2.gz FCVZCZSWJWGOTM-QMMMGPOBSA-N 0 3 281.316 -1.243 20 0 CAADHN CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239186 616088005 /nfs/dbraw/zinc/08/80/05/616088005.db2.gz NJSDUCKNOWCXQO-JTQLQIEISA-N 0 3 297.359 -1.580 20 0 CAADHN CN(CCn1cncn1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971238506 616129031 /nfs/dbraw/zinc/12/90/31/616129031.db2.gz HHBUIYQIKQBDCV-SNVBAGLBSA-N 0 3 280.332 -1.314 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000961587892 616129177 /nfs/dbraw/zinc/12/91/77/616129177.db2.gz WEPNLFHYLWNQQO-KLBPJQLPSA-N 0 3 267.329 -1.354 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000961500636 616133034 /nfs/dbraw/zinc/13/30/34/616133034.db2.gz WEPNLFHYLWNQQO-MIZYBKAJSA-N 0 3 267.329 -1.354 20 0 CAADHN CN1C(=O)CC[C@H]1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969554154 616133519 /nfs/dbraw/zinc/13/35/19/616133519.db2.gz CBCYMSLWMYIKAP-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1C(=O)CN(CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1=O ZINC000962288313 616134893 /nfs/dbraw/zinc/13/48/93/616134893.db2.gz OTPLTPQIJQTTDB-GDGBQDQQSA-N 0 3 296.327 -2.081 20 0 CAADHN CN1CC(=O)N(CC(=O)N2CC[C@@H](NCC(N)=O)C2)C1=O ZINC000970665771 616160062 /nfs/dbraw/zinc/16/00/62/616160062.db2.gz YSIVXVBIASYDHK-MRVPVSSYSA-N 0 3 297.315 -2.444 20 0 CAADHN CN(C[C@H]1CCc2ncnn21)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972216613 616161785 /nfs/dbraw/zinc/16/17/85/616161785.db2.gz PPRJQEJYTLQCFW-NXEZZACHSA-N 0 3 292.343 -1.217 20 0 CAADHN Cn1nnc(CN[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC000967924407 616192153 /nfs/dbraw/zinc/19/21/53/616192153.db2.gz HRBCRHHGOFMRGR-GHMZBOCLSA-N 0 3 293.375 -1.005 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938579925 616192585 /nfs/dbraw/zinc/19/25/85/616192585.db2.gz QLZCNCWEKJQDTP-DTWKUNHWSA-N 0 3 268.317 -1.717 20 0 CAADHN CN1CCC[C@H](N[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC000968125578 616208373 /nfs/dbraw/zinc/20/83/73/616208373.db2.gz ZIXUGBHOZTYVAX-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942305128 616209897 /nfs/dbraw/zinc/20/98/97/616209897.db2.gz QLZCNCWEKJQDTP-BDAKNGLRSA-N 0 3 268.317 -1.717 20 0 CAADHN Cn1nnc(CN[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC000967924408 616209968 /nfs/dbraw/zinc/20/99/68/616209968.db2.gz HRBCRHHGOFMRGR-MNOVXSKESA-N 0 3 293.375 -1.005 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958618862 616248355 /nfs/dbraw/zinc/24/83/55/616248355.db2.gz XCJKGHDLSACGTP-KXNHARMFSA-N 0 3 269.345 -1.644 20 0 CAADHN CN1CCO[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000968304644 616258097 /nfs/dbraw/zinc/25/80/97/616258097.db2.gz YXWFGNAZWYXCGN-ZJUUUORDSA-N 0 3 270.333 -2.007 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)NC1=O ZINC000974926571 616277783 /nfs/dbraw/zinc/27/77/83/616277783.db2.gz VVXBVPPISLCABI-VHSXEESVSA-N 0 3 284.360 -1.171 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCC1=O ZINC000962819773 616279107 /nfs/dbraw/zinc/27/91/07/616279107.db2.gz JZZSWXPPVWQECA-MEWQQHAOSA-N 0 3 281.356 -1.107 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1=O ZINC000967749849 616281731 /nfs/dbraw/zinc/28/17/31/616281731.db2.gz MIKOMKPLMCMFJD-GMTAPVOTSA-N 0 3 294.355 -1.314 20 0 CAADHN COCCN1CC([C@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970504936 616319342 /nfs/dbraw/zinc/31/93/42/616319342.db2.gz XLWYKLNGPWFMHI-WPRPVWTQSA-N 0 3 298.343 -1.333 20 0 CAADHN COCCN1CC([C@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000970355858 616320949 /nfs/dbraw/zinc/32/09/49/616320949.db2.gz AVJPEJGHPSAUJV-WPRPVWTQSA-N 0 3 270.333 -1.249 20 0 CAADHN CN1CC[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1=O ZINC000969117372 616363030 /nfs/dbraw/zinc/36/30/30/616363030.db2.gz NPCSKEDFYVVGDW-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC1=O ZINC000960619215 616380699 /nfs/dbraw/zinc/38/06/99/616380699.db2.gz CKQWPRQCUCXKEF-MEWQQHAOSA-N 0 3 281.356 -1.107 20 0 CAADHN CN1CC[C@H](CC(=O)N2CC[C@@H](NCC(N)=O)C2)C1=O ZINC000969013034 616388350 /nfs/dbraw/zinc/38/83/50/616388350.db2.gz CVUICVNGYOAOQQ-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1=O ZINC000968844302 616403634 /nfs/dbraw/zinc/40/36/34/616403634.db2.gz BSUMEAIIGMRZAL-RKDXNWHRSA-N 0 3 268.317 -1.860 20 0 CAADHN CN1CC[C@H](N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnon2)C1=O ZINC000962096802 616408714 /nfs/dbraw/zinc/40/87/14/616408714.db2.gz AJLIJYONAKHAPP-GISOBZBCSA-N 0 3 291.311 -1.040 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](N[C@H]3CCN(C)C3=O)C2)nn1 ZINC000968572604 616417458 /nfs/dbraw/zinc/41/74/58/616417458.db2.gz SROOZZQUFYQDLA-ZJUUUORDSA-N 0 3 292.343 -1.150 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000968699321 616417697 /nfs/dbraw/zinc/41/76/97/616417697.db2.gz HJQGQLKFMSTUKZ-ZJUUUORDSA-N 0 3 293.331 -1.906 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCN(C(=O)c3cnnn3C)C2)C1=O ZINC000968553047 616418118 /nfs/dbraw/zinc/41/81/18/616418118.db2.gz MTKBRPFHJGURQU-ZJUUUORDSA-N 0 3 292.343 -1.150 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957847356 616442719 /nfs/dbraw/zinc/44/27/19/616442719.db2.gz QBQCEPDPDTUTQA-GXSJLCMTSA-N 0 3 296.327 -1.149 20 0 CAADHN COCCN1C[C@@H](CNC(=O)C2=COCCO2)[C@H](O)C1 ZINC000957843408 616443423 /nfs/dbraw/zinc/44/34/23/616443423.db2.gz SBCKPOYBIIZBMJ-GHMZBOCLSA-N 0 3 286.328 -1.070 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC000958503934 616443965 /nfs/dbraw/zinc/44/39/65/616443965.db2.gz VKCPIOHLTDFIOP-WCBMZHEXSA-N 0 3 270.289 -1.262 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957994636 616443976 /nfs/dbraw/zinc/44/39/76/616443976.db2.gz FLHXCZIYPGJEOS-GXSJLCMTSA-N 0 3 297.359 -1.329 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC000957999830 616444665 /nfs/dbraw/zinc/44/46/65/616444665.db2.gz NZMQCDKOYHKOJK-NXEZZACHSA-N 0 3 299.327 -1.353 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2cc[n+]([O-])cc2)[C@H](O)C1 ZINC000957841751 616444738 /nfs/dbraw/zinc/44/47/38/616444738.db2.gz IKJVQKUOEGDRPB-CHWSQXEVSA-N 0 3 295.339 -1.011 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC000957847358 616444879 /nfs/dbraw/zinc/44/48/79/616444879.db2.gz QBQCEPDPDTUTQA-MWLCHTKSSA-N 0 3 296.327 -1.149 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC000958328877 616445605 /nfs/dbraw/zinc/44/56/05/616445605.db2.gz OMAMZBHENXOJNW-RKDXNWHRSA-N 0 3 284.320 -2.121 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2nnn(C)c2C)[C@H](O)C1 ZINC000957953492 616445903 /nfs/dbraw/zinc/44/59/03/616445903.db2.gz NWVGFOAWFZUGKZ-GHMZBOCLSA-N 0 3 297.359 -1.208 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2cnn(C)c2N)[C@H](O)C1 ZINC000957994638 616445987 /nfs/dbraw/zinc/44/59/87/616445987.db2.gz FLHXCZIYPGJEOS-MWLCHTKSSA-N 0 3 297.359 -1.329 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2ncn(C)n2)[C@H](O)C1 ZINC000958026131 616446086 /nfs/dbraw/zinc/44/60/86/616446086.db2.gz YSURLSCTAQLHJH-NXEZZACHSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958035505 616451968 /nfs/dbraw/zinc/45/19/68/616451968.db2.gz GKVZLYZEQDMTIU-ONGXEEELSA-N 0 3 283.332 -1.516 20 0 CAADHN COCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC000958168103 616452162 /nfs/dbraw/zinc/45/21/62/616452162.db2.gz TYPQIGCVVDNNFS-ONGXEEELSA-N 0 3 296.327 -1.149 20 0 CAADHN COCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC000958168103 616452163 /nfs/dbraw/zinc/45/21/63/616452163.db2.gz TYPQIGCVVDNNFS-ONGXEEELSA-N 0 3 296.327 -1.149 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958309208 616452190 /nfs/dbraw/zinc/45/21/90/616452190.db2.gz IILPZSDHVLYBON-ONGXEEELSA-N 0 3 298.343 -1.205 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000958379406 616452348 /nfs/dbraw/zinc/45/23/48/616452348.db2.gz RIXWWPYYOYBEBM-ONGXEEELSA-N 0 3 298.343 -1.205 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957994637 616458912 /nfs/dbraw/zinc/45/89/12/616458912.db2.gz FLHXCZIYPGJEOS-KOLCDFICSA-N 0 3 297.359 -1.329 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958155504 616459721 /nfs/dbraw/zinc/45/97/21/616459721.db2.gz COSTZBAOPSVUOY-MNOVXSKESA-N 0 3 296.327 -1.149 20 0 CAADHN CN1C[C@@H](C(=O)N2CCCN(CCCO)CC2)NC1=O ZINC000981750946 616478961 /nfs/dbraw/zinc/47/89/61/616478961.db2.gz LDHNMQCHFVGSKN-NSHDSACASA-N 0 3 284.360 -1.073 20 0 CAADHN COCC(=O)N1CCC(O)(CN[C@@H]2CCN(C)C2=O)CC1 ZINC000946911136 616550192 /nfs/dbraw/zinc/55/01/92/616550192.db2.gz FCPWNFWNDPVBTD-LLVKDONJSA-N 0 3 299.371 -1.193 20 0 CAADHN COCC(=O)N1CC[C@@H](N(C)CCN2C(=O)CNC2=O)C1 ZINC000970908236 616592223 /nfs/dbraw/zinc/59/22/23/616592223.db2.gz OWOBZGMLOOIQIN-SNVBAGLBSA-N 0 3 298.343 -1.283 20 0 CAADHN COCC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC000965960809 616602946 /nfs/dbraw/zinc/60/29/46/616602946.db2.gz PIUAPLZURYPWLY-LLVKDONJSA-N 0 3 285.344 -1.318 20 0 CAADHN CNC(=O)CN1CCC[C@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963349485 616607881 /nfs/dbraw/zinc/60/78/81/616607881.db2.gz RLSGIADCTCNMPE-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@H](C)C1 ZINC000944048269 616613762 /nfs/dbraw/zinc/61/37/62/616613762.db2.gz XOVQDFQKHJMXEZ-NXEZZACHSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943676799 616627218 /nfs/dbraw/zinc/62/72/18/616627218.db2.gz VYLZMGNVIASBFS-IUCAKERBSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)c2ncn[nH]2)[C@@H](C)C1 ZINC000943676799 616627224 /nfs/dbraw/zinc/62/72/24/616627224.db2.gz VYLZMGNVIASBFS-IUCAKERBSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)c2nc[nH]n2)[C@@H](C)C1 ZINC000943676799 616627228 /nfs/dbraw/zinc/62/72/28/616627228.db2.gz VYLZMGNVIASBFS-IUCAKERBSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980169523 616640416 /nfs/dbraw/zinc/64/04/16/616640416.db2.gz WUWOEMWQNOINSW-IVZWLZJFSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1 ZINC000962559680 616641239 /nfs/dbraw/zinc/64/12/39/616641239.db2.gz YLCPKOGQEAHBGY-YABSGUDNSA-N 0 3 280.372 -1.125 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962234395 616642983 /nfs/dbraw/zinc/64/29/83/616642983.db2.gz WMDGWXMTRQKZNY-JDICNCQASA-N 0 3 278.316 -1.860 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1n[nH]c(C)n1 ZINC000958817256 616643551 /nfs/dbraw/zinc/64/35/51/616643551.db2.gz XUUZOFPWKQDPEO-WOFXILAISA-N 0 3 292.343 -1.552 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C ZINC000958377666 616643876 /nfs/dbraw/zinc/64/38/76/616643876.db2.gz HLLNMFOJNUNVPB-SRRSOLGSSA-N 0 3 280.372 -1.127 20 0 CAADHN COCCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)nn1 ZINC000968641900 616717453 /nfs/dbraw/zinc/71/74/53/616717453.db2.gz LXLKPMIKUWZZCU-SECBINFHSA-N 0 3 296.331 -1.786 20 0 CAADHN CNC(=O)[C@H](C)N1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 ZINC000948738270 616848949 /nfs/dbraw/zinc/84/89/49/616848949.db2.gz UJXTYIYYTYDEQI-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[n-]nnc1C ZINC000961445503 616853844 /nfs/dbraw/zinc/85/38/44/616853844.db2.gz SAPQBMHLWDKNGH-WYOJIJJFSA-N 0 3 292.343 -1.092 20 0 CAADHN CNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[n-]nnc1C ZINC000961445503 616853848 /nfs/dbraw/zinc/85/38/48/616853848.db2.gz SAPQBMHLWDKNGH-WYOJIJJFSA-N 0 3 292.343 -1.092 20 0 CAADHN COCc1nocc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958584197 616983802 /nfs/dbraw/zinc/98/38/02/616983802.db2.gz OVHPQHLORZDLAF-JOYOIKCWSA-N 0 3 299.327 -1.164 20 0 CAADHN COCc1nocc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958584196 616984291 /nfs/dbraw/zinc/98/42/91/616984291.db2.gz OVHPQHLORZDLAF-CABZTGNLSA-N 0 3 299.327 -1.164 20 0 CAADHN CO[C@H](C)C(=O)N1CCC(O)(CN[C@@H]2CCNC2=O)CC1 ZINC000946918901 617014588 /nfs/dbraw/zinc/01/45/88/617014588.db2.gz VEYURORPVPNSAD-GHMZBOCLSA-N 0 3 299.371 -1.147 20 0 CAADHN COc1c(C(=O)N2CC[C@@H](NCC(N)=O)C2)cnn1C ZINC000970585426 617142550 /nfs/dbraw/zinc/14/25/50/617142550.db2.gz CBUFUGLCEWCNHG-MRVPVSSYSA-N 0 3 281.316 -1.282 20 0 CAADHN COc1c(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cnn1C ZINC000958626709 617143468 /nfs/dbraw/zinc/14/34/68/617143468.db2.gz QBDOQEMGJPZRRJ-KOLCDFICSA-N 0 3 298.343 -1.557 20 0 CAADHN COc1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)ncn1 ZINC000968700132 617157556 /nfs/dbraw/zinc/15/75/56/617157556.db2.gz WCNUIIFQKRHNCF-MRVPVSSYSA-N 0 3 279.300 -1.225 20 0 CAADHN COc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)on1 ZINC000957997523 617161614 /nfs/dbraw/zinc/16/16/14/617161614.db2.gz ZJIVAZSAMMKDOM-RKDXNWHRSA-N 0 3 285.300 -1.302 20 0 CAADHN COc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)ncn1 ZINC000958073275 617161624 /nfs/dbraw/zinc/16/16/24/617161624.db2.gz JLXVVTYVSGHCJI-MWLCHTKSSA-N 0 3 296.327 -1.500 20 0 CAADHN COc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)nn1C ZINC000958240146 617162297 /nfs/dbraw/zinc/16/22/97/617162297.db2.gz YDLDAJOAFPHESW-GXSJLCMTSA-N 0 3 298.343 -1.557 20 0 CAADHN O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001095422103 782187109 /nfs/dbraw/zinc/18/71/09/782187109.db2.gz IMJKSEVBWDIHKT-UTLUCORTSA-N 0 3 266.305 -1.613 20 0 CAADHN C[C@H](O)CNCCS(=O)(=O)N1CCOCC1 ZINC000309415496 656039790 /nfs/dbraw/zinc/03/97/90/656039790.db2.gz KRPAAYTZEJEZSE-VIFPVBQESA-N 0 3 252.336 -1.381 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@]1(C)C[C@@H](O)CN1C ZINC000908200322 656210242 /nfs/dbraw/zinc/21/02/42/656210242.db2.gz IRZHNNHGESSEJF-FOGDFJRCSA-N 0 3 259.350 -1.520 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N(C)CCN(C)CCO ZINC000912605984 656262487 /nfs/dbraw/zinc/26/24/87/656262487.db2.gz FUROVBIWAHYDBN-VIFPVBQESA-N 0 3 281.378 -1.693 20 0 CAADHN CN(CCO)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC000912609819 656263196 /nfs/dbraw/zinc/26/31/96/656263196.db2.gz NVAVKDWJWUILIT-UHFFFAOYSA-N 0 3 281.378 -1.740 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)N(C)CCN(C)CCO ZINC000912607473 656263248 /nfs/dbraw/zinc/26/32/48/656263248.db2.gz FMOXVSMBWMRDJI-UHFFFAOYSA-N 0 3 295.405 -1.350 20 0 CAADHN CN(CCO)CCN(C)C(=O)CCNS(C)(=O)=O ZINC000912611213 656263391 /nfs/dbraw/zinc/26/33/91/656263391.db2.gz YEKLROPLSPLJQQ-UHFFFAOYSA-N 0 3 281.378 -1.692 20 0 CAADHN CCCN(C)CC(=O)NC[C@]1(CO)COCCN1 ZINC000913187318 656277581 /nfs/dbraw/zinc/27/75/81/656277581.db2.gz ATXBAHQBSCBQHV-LBPRGKRZSA-N 0 3 259.350 -1.205 20 0 CAADHN CNC(=O)[C@@H](C)NS(=O)(=O)N1CCNCC1 ZINC000042574319 656867151 /nfs/dbraw/zinc/86/71/51/656867151.db2.gz HEWJAGWYCBBCIL-SSDOTTSWSA-N 0 3 250.324 -2.140 20 0 CAADHN Cn1cnn(CC(=O)N2CC[C@@H](NCC(N)=O)C2)c1=O ZINC000969140963 655995216 /nfs/dbraw/zinc/99/52/16/655995216.db2.gz WIUDICYNFFVLHF-MRVPVSSYSA-N 0 3 282.304 -2.742 20 0 CAADHN Cn1ccc(C(=O)N2CC[C@@H](NCC(N)=O)C2)cc1=O ZINC000969119187 655995234 /nfs/dbraw/zinc/99/52/34/655995234.db2.gz CNPPLUGYDFDQKU-SNVBAGLBSA-N 0 3 278.312 -1.325 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H]1C)N(C)C ZINC001020416156 655995955 /nfs/dbraw/zinc/99/59/55/655995955.db2.gz CQJLCOPWWSSVDD-GUBZILKMSA-N 0 3 284.360 -1.083 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cnn3c2OCCC3)C1 ZINC000969205447 655996067 /nfs/dbraw/zinc/99/60/67/655996067.db2.gz QONNFMUVCXLLQZ-SECBINFHSA-N 0 3 293.327 -1.045 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cc3n(n2)CCCO3)C1 ZINC000969298091 655996629 /nfs/dbraw/zinc/99/66/29/655996629.db2.gz ROIBSXMNFXFPTE-SECBINFHSA-N 0 3 293.327 -1.045 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001020465386 655996664 /nfs/dbraw/zinc/99/66/64/655996664.db2.gz ZXOYAWWAYKDVEV-QXEWZRGKSA-N 0 3 292.343 -1.312 20 0 CAADHN Cn1ccc(=O)c(C(=O)N2CC[C@@H](NCC(N)=O)C2)c1 ZINC000969295664 655996723 /nfs/dbraw/zinc/99/67/23/655996723.db2.gz QPTXJECWMFALEH-SECBINFHSA-N 0 3 278.312 -1.325 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC000969289623 655996784 /nfs/dbraw/zinc/99/67/84/655996784.db2.gz BGPXBANAJAEWCS-SSDOTTSWSA-N 0 3 289.299 -1.358 20 0 CAADHN Cn1nccc1CN[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001020530673 655998394 /nfs/dbraw/zinc/99/83/94/655998394.db2.gz COVGVPWNYNGVID-FXPVBKGRSA-N 0 3 292.343 -1.162 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000969418147 655998879 /nfs/dbraw/zinc/99/88/79/655998879.db2.gz FNBDXXRUHPOAPO-BDAKNGLRSA-N 0 3 295.299 -2.566 20 0 CAADHN CCn1nncc1CN[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001020533100 655999337 /nfs/dbraw/zinc/99/93/37/655999337.db2.gz GBUBFIKPFUMNQV-ZKCHVHJHSA-N 0 3 266.305 -1.480 20 0 CAADHN NC(=O)C(=O)N[C@H]1C[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001020533928 655999820 /nfs/dbraw/zinc/99/98/20/655999820.db2.gz ODJSHGRGLGVIMK-ZKCHVHJHSA-N 0 3 297.315 -3.333 20 0 CAADHN Cn1nccc1CN[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001020533447 655999865 /nfs/dbraw/zinc/99/98/65/655999865.db2.gz XJFXTNLXSWFYQI-ZKCHVHJHSA-N 0 3 251.290 -1.358 20 0 CAADHN NC(=O)C(=O)N[C@H]1C[C@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001020533943 656000174 /nfs/dbraw/zinc/00/01/74/656000174.db2.gz OVRTVYIGOYHHKR-ZKCHVHJHSA-N 0 3 278.316 -1.096 20 0 CAADHN C[C@H](NC(=O)[C@H]1CN(C)CCO1)C1CN(CCO)C1 ZINC000969439978 656000256 /nfs/dbraw/zinc/00/02/56/656000256.db2.gz DBOSWURNCFLZAN-CMPLNLGQSA-N 0 3 271.361 -1.254 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CNC(=O)C1 ZINC000969439372 656000351 /nfs/dbraw/zinc/00/03/51/656000351.db2.gz JANONJAHHKGEEE-PELKAZGASA-N 0 3 268.317 -1.812 20 0 CAADHN Cn1cnn(CCC(=O)N2CC[C@@H](NCC(N)=O)C2)c1=O ZINC000969457176 656000613 /nfs/dbraw/zinc/00/06/13/656000613.db2.gz LAAHLUFJNDASFL-SECBINFHSA-N 0 3 296.331 -2.352 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC000969466494 656001014 /nfs/dbraw/zinc/00/10/14/656001014.db2.gz VAKQILUTNAJBSC-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC000969546383 656001111 /nfs/dbraw/zinc/00/11/11/656001111.db2.gz XHTGGSMQXMXDDR-HTQZYQBOSA-N 0 3 266.305 -1.209 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C(N)=O ZINC000969573015 656001122 /nfs/dbraw/zinc/00/11/22/656001122.db2.gz JTLPAXMBZTYUQP-VHSXEESVSA-N 0 3 297.359 -2.518 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC000969546384 656001285 /nfs/dbraw/zinc/00/12/85/656001285.db2.gz XHTGGSMQXMXDDR-JGVFFNPUSA-N 0 3 266.305 -1.209 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)n[nH]1 ZINC000969577680 656001480 /nfs/dbraw/zinc/00/14/80/656001480.db2.gz FZHBXDQTECAUMX-ZJUUUORDSA-N 0 3 292.343 -1.060 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC000969566768 656001526 /nfs/dbraw/zinc/00/15/26/656001526.db2.gz NSMMMKVGPHIELN-MNOVXSKESA-N 0 3 294.355 -1.455 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C(N)=O ZINC000969573010 656001642 /nfs/dbraw/zinc/00/16/42/656001642.db2.gz JTLPAXMBZTYUQP-NXEZZACHSA-N 0 3 297.359 -2.518 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000969545365 656001676 /nfs/dbraw/zinc/00/16/76/656001676.db2.gz BDAQRAJHNGAZSL-BDAKNGLRSA-N 0 3 278.316 -1.194 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)c1=O ZINC000969555700 656001681 /nfs/dbraw/zinc/00/16/81/656001681.db2.gz PMZRMEHIAHFTHG-SSDOTTSWSA-N 0 3 295.299 -2.225 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000969643861 656001984 /nfs/dbraw/zinc/00/19/84/656001984.db2.gz AGOBAXJDSCQZJW-REIXXSIJSA-N 0 3 253.302 -1.445 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1)C(N)=O ZINC000969622371 656002009 /nfs/dbraw/zinc/00/20/09/656002009.db2.gz HXUQIDGIXKMHOY-NKWVEPMBSA-N 0 3 267.293 -2.112 20 0 CAADHN C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CN(CCCO)C1 ZINC000969588358 656002101 /nfs/dbraw/zinc/00/21/01/656002101.db2.gz LMFIOUKLUKGUNM-WCBMZHEXSA-N 0 3 271.317 -1.086 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H](NCc3ccnn3C)C2)n1 ZINC000969626250 656002266 /nfs/dbraw/zinc/00/22/66/656002266.db2.gz SIGIAJCWTJFLLQ-SECBINFHSA-N 0 3 290.331 -1.052 20 0 CAADHN O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000969646131 656002416 /nfs/dbraw/zinc/00/24/16/656002416.db2.gz PBBVEXXMRLJRCV-ZIQFBCGOSA-N 0 3 279.340 -1.042 20 0 CAADHN C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(CCCO)C1 ZINC000969588361 656002594 /nfs/dbraw/zinc/00/25/94/656002594.db2.gz LMFIOUKLUKGUNM-WPRPVWTQSA-N 0 3 271.317 -1.086 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC000969741693 656002906 /nfs/dbraw/zinc/00/29/06/656002906.db2.gz QMUKDZINVCPBRT-BDAKNGLRSA-N 0 3 292.343 -1.100 20 0 CAADHN O=C(c1c[nH]c(=O)cn1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000969743441 656003080 /nfs/dbraw/zinc/00/30/80/656003080.db2.gz GFXUDPOSOZYRCP-BDAKNGLRSA-N 0 3 291.311 -1.538 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC000969741694 656003124 /nfs/dbraw/zinc/00/31/24/656003124.db2.gz QMUKDZINVCPBRT-RKDXNWHRSA-N 0 3 292.343 -1.100 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 ZINC000969731145 656003406 /nfs/dbraw/zinc/00/34/06/656003406.db2.gz OTUYFYQGBVJUEA-MRVPVSSYSA-N 0 3 294.311 -1.403 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC000969711043 656003418 /nfs/dbraw/zinc/00/34/18/656003418.db2.gz MMZSSLOOEPWMTG-LDYMZIIASA-N 0 3 259.281 -1.209 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC000969766797 656003540 /nfs/dbraw/zinc/00/35/40/656003540.db2.gz QBTPMWYCVUHOER-ZJUUUORDSA-N 0 3 295.343 -1.909 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n[nH]1 ZINC000969767232 656003967 /nfs/dbraw/zinc/00/39/67/656003967.db2.gz UOBSBDMTBFKQKV-BDAKNGLRSA-N 0 3 293.331 -1.515 20 0 CAADHN Cn1nccc1CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000969766889 656004062 /nfs/dbraw/zinc/00/40/62/656004062.db2.gz RKHWIFBCESBMMP-MWLCHTKSSA-N 0 3 292.343 -1.208 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)[nH]c1=O ZINC000969827381 656005301 /nfs/dbraw/zinc/00/53/01/656005301.db2.gz OTZSHAVEXMJIQT-BDAKNGLRSA-N 0 3 293.327 -1.182 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1)C(N)=O ZINC000969824276 656005330 /nfs/dbraw/zinc/00/53/30/656005330.db2.gz TYQIWYKJRFOOHO-JGVFFNPUSA-N 0 3 281.316 -1.196 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001020596445 656005347 /nfs/dbraw/zinc/00/53/47/656005347.db2.gz RUGXBZQGQLDMCE-OYBPUVFXSA-N 0 3 292.343 -1.327 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)CCC(=O)N1 ZINC000969849848 656005444 /nfs/dbraw/zinc/00/54/44/656005444.db2.gz IXFQTJYKTIZMMG-RULNRJAQSA-N 0 3 294.355 -1.266 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1)C(N)=O ZINC000969824275 656005483 /nfs/dbraw/zinc/00/54/83/656005483.db2.gz TYQIWYKJRFOOHO-HTQZYQBOSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCC(=O)N1 ZINC000969851309 656005692 /nfs/dbraw/zinc/00/56/92/656005692.db2.gz YJRDUUNPIZGVFC-PELKAZGASA-N 0 3 268.317 -1.669 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1)C(N)=O ZINC000969849784 656005749 /nfs/dbraw/zinc/00/57/49/656005749.db2.gz GAXIZHOTFVJVTA-RWEMILLDSA-N 0 3 282.344 -1.281 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cc(C(N)=O)co2)C1 ZINC000969919755 656006003 /nfs/dbraw/zinc/00/60/03/656006003.db2.gz BTLDCHCTDWYYKR-MRVPVSSYSA-N 0 3 280.284 -1.332 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n[nH]1 ZINC000969976690 656006177 /nfs/dbraw/zinc/00/61/77/656006177.db2.gz CLMLGLXNKFMBOF-BBBLOLIVSA-N 0 3 292.343 -1.075 20 0 CAADHN C[C@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCNC1=O ZINC000969936919 656006379 /nfs/dbraw/zinc/00/63/79/656006379.db2.gz LBOLDZIXNNNYBV-PELKAZGASA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CCc2cnn(C)n2)C1)C(N)=O ZINC000969980840 656006396 /nfs/dbraw/zinc/00/63/96/656006396.db2.gz SBCOMUOVFCVRFL-MWLCHTKSSA-N 0 3 294.359 -1.188 20 0 CAADHN Cn1nnc(CN[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)n1 ZINC000970097333 656007265 /nfs/dbraw/zinc/00/72/65/656007265.db2.gz AUAYLKWGUKBOJH-SECBINFHSA-N 0 3 290.331 -1.134 20 0 CAADHN Cn1nnnc1CN[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000970098851 656007288 /nfs/dbraw/zinc/00/72/88/656007288.db2.gz YYVUTAYYXOQBPL-SECBINFHSA-N 0 3 290.331 -1.134 20 0 CAADHN Cn1[n-]c(C[NH2+][C@H]2C[C@H](NC(=O)c3cnon3)C2)nc1=O ZINC001020785266 656008177 /nfs/dbraw/zinc/00/81/77/656008177.db2.gz AWTZDZBIQBQLPO-LJGSYFOKSA-N 0 3 293.287 -1.458 20 0 CAADHN Cn1ncc(CN[C@H]2C[C@H](NC(=O)c3nnc[nH]3)C2)n1 ZINC001020777104 656008324 /nfs/dbraw/zinc/00/83/24/656008324.db2.gz QTBADYZIZNHQGX-ZKCHVHJHSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1ncc(CN[C@H]2C[C@H](NC(=O)c3ncn[nH]3)C2)n1 ZINC001020777104 656008325 /nfs/dbraw/zinc/00/83/25/656008325.db2.gz QTBADYZIZNHQGX-ZKCHVHJHSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1ncc(CN[C@H]2C[C@H](NC(=O)c3nc[nH]n3)C2)n1 ZINC001020777104 656008326 /nfs/dbraw/zinc/00/83/26/656008326.db2.gz QTBADYZIZNHQGX-ZKCHVHJHSA-N 0 3 276.304 -1.016 20 0 CAADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H](NCCF)C1 ZINC000970119318 656008383 /nfs/dbraw/zinc/00/83/83/656008383.db2.gz SSMZGQGSVNOGNB-SFYZADRCSA-N 0 3 272.280 -1.256 20 0 CAADHN CN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)Cc3nnc[n-]3)C2)C1=O ZINC001020906969 656008662 /nfs/dbraw/zinc/00/86/62/656008662.db2.gz NRFCIXWQNHCDGE-OPRDCNLKSA-N 0 3 292.343 -1.185 20 0 CAADHN C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001020905250 656008895 /nfs/dbraw/zinc/00/88/95/656008895.db2.gz WVFKMZHHOCNBEX-BWZBUEFSSA-N 0 3 266.305 -1.542 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001020903985 656008999 /nfs/dbraw/zinc/00/89/99/656008999.db2.gz IMSXAIXXINZISI-KYZUINATSA-N 0 3 290.331 -1.087 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001020905165 656009070 /nfs/dbraw/zinc/00/90/70/656009070.db2.gz VVWZZANAPVHIAT-OPRDCNLKSA-N 0 3 292.343 -1.137 20 0 CAADHN Cn1nnnc1CN[C@H]1C[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001020904165 656009118 /nfs/dbraw/zinc/00/91/18/656009118.db2.gz PCCVEMPTPJNMKZ-ZKCHVHJHSA-N 0 3 291.319 -1.692 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001020951210 656009378 /nfs/dbraw/zinc/00/93/78/656009378.db2.gz QLALVZDVVMSMED-QXEWZRGKSA-N 0 3 292.343 -1.170 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC000968122001 656009477 /nfs/dbraw/zinc/00/94/77/656009477.db2.gz ACRFPWOANRYLTQ-SNVBAGLBSA-N 0 3 298.343 -2.089 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)C(N)=O ZINC000968785429 656009636 /nfs/dbraw/zinc/00/96/36/656009636.db2.gz ARRMWURBBLDWMP-VXNVDRBHSA-N 0 3 289.357 -1.905 20 0 CAADHN COc1cncc(C(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000970184145 656010383 /nfs/dbraw/zinc/01/03/83/656010383.db2.gz MGIBWRPJPDOUJM-MRVPVSSYSA-N 0 3 279.300 -1.225 20 0 CAADHN C[C@H]1CCCN1CC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970203069 656012185 /nfs/dbraw/zinc/01/21/85/656012185.db2.gz XBUILOSJXKTJKZ-AEJSXWLSSA-N 0 3 298.343 -2.356 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC000970246788 656012727 /nfs/dbraw/zinc/01/27/27/656012727.db2.gz MPPKVHIKBKTTLU-DTWKUNHWSA-N 0 3 268.317 -1.669 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)n1 ZINC000970263601 656013068 /nfs/dbraw/zinc/01/30/68/656013068.db2.gz MQVSAIMQIWZUGE-BDAKNGLRSA-N 0 3 278.316 -1.492 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cnn(C)n2)C1)C(N)=O ZINC000970257337 656013211 /nfs/dbraw/zinc/01/32/11/656013211.db2.gz IMVZBRRNCBBIRX-JGVFFNPUSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CN(CCCO)C1 ZINC000970271761 656013251 /nfs/dbraw/zinc/01/32/51/656013251.db2.gz VYOSXNLVKNMDHJ-GXSJLCMTSA-N 0 3 284.360 -1.171 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CCN2CCOCC2)C1)C(N)=O ZINC000970261336 656013280 /nfs/dbraw/zinc/01/32/80/656013280.db2.gz DHASEQALXBSIAN-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)C(N)=O ZINC000970254315 656013346 /nfs/dbraw/zinc/01/33/46/656013346.db2.gz BVKXPJLMSRMMBQ-IONNQARKSA-N 0 3 296.327 -1.897 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CCNC1=O)C1CN(CCCO)C1 ZINC000970274775 656013390 /nfs/dbraw/zinc/01/33/90/656013390.db2.gz OIWFHGSGDDVGDG-GXSJLCMTSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CN(CCCO)C1 ZINC000970271762 656013399 /nfs/dbraw/zinc/01/33/99/656013399.db2.gz VYOSXNLVKNMDHJ-KOLCDFICSA-N 0 3 284.360 -1.171 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)n1 ZINC000970263609 656013608 /nfs/dbraw/zinc/01/36/08/656013608.db2.gz MQVSAIMQIWZUGE-RKDXNWHRSA-N 0 3 278.316 -1.492 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CN(CCCO)C1 ZINC000970274779 656013627 /nfs/dbraw/zinc/01/36/27/656013627.db2.gz OIWFHGSGDDVGDG-MWLCHTKSSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cnon2)C1)C(N)=O ZINC000970303727 656013807 /nfs/dbraw/zinc/01/38/07/656013807.db2.gz NLIDOWUAZVXSTH-RNFRBKRXSA-N 0 3 253.262 -1.253 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)c2nc[nH]n2)C1)N1CCC1 ZINC000970297692 656013828 /nfs/dbraw/zinc/01/38/28/656013828.db2.gz SZORYHUJRDPPEQ-SECBINFHSA-N 0 3 278.316 -1.159 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000970295649 656013845 /nfs/dbraw/zinc/01/38/45/656013845.db2.gz RSZHQTQWSRXAGW-BDAKNGLRSA-N 0 3 278.316 -1.113 20 0 CAADHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2nc[n-]n2)C1)C(N)=O ZINC000970295615 656013874 /nfs/dbraw/zinc/01/38/74/656013874.db2.gz QTGOBILVHIEZKM-RNFRBKRXSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2nc[nH]n2)C1)C(N)=O ZINC000970295615 656013876 /nfs/dbraw/zinc/01/38/76/656013876.db2.gz QTGOBILVHIEZKM-RNFRBKRXSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@H](O)CN1CC([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC000970287819 656013886 /nfs/dbraw/zinc/01/38/86/656013886.db2.gz LSIFAIFNYQILDB-YUMQZZPRSA-N 0 3 268.321 -1.359 20 0 CAADHN O=C(c1cnon1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000970304090 656014015 /nfs/dbraw/zinc/01/40/15/656014015.db2.gz RSJTXGDDWDIURG-HTQZYQBOSA-N 0 3 265.273 -1.238 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C(N)=O ZINC000970283433 656014047 /nfs/dbraw/zinc/01/40/47/656014047.db2.gz RQLZZQKREIMXAW-JGVFFNPUSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@H]([NH2+][C@@H]1CCN(C(=O)c2nc[n-]n2)C1)C(N)=O ZINC000970295614 656014109 /nfs/dbraw/zinc/01/41/09/656014109.db2.gz QTGOBILVHIEZKM-NKWVEPMBSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2nc[nH]n2)C1)C(N)=O ZINC000970295614 656014110 /nfs/dbraw/zinc/01/41/10/656014110.db2.gz QTGOBILVHIEZKM-NKWVEPMBSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C(N)=O ZINC000970283432 656014202 /nfs/dbraw/zinc/01/42/02/656014202.db2.gz RQLZZQKREIMXAW-HTQZYQBOSA-N 0 3 297.315 -2.398 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC000970373324 656014505 /nfs/dbraw/zinc/01/45/05/656014505.db2.gz BETAZUASWAVSMQ-RKDXNWHRSA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CN(CCCO)C1 ZINC000970359365 656014557 /nfs/dbraw/zinc/01/45/57/656014557.db2.gz QYXRLSLHZOFWGO-WCBMZHEXSA-N 0 3 270.333 -1.513 20 0 CAADHN O=C(CCn1cnnn1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000970324407 656014743 /nfs/dbraw/zinc/01/47/43/656014743.db2.gz HBOSFDAPXFTXAJ-NXEZZACHSA-N 0 3 293.331 -1.858 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC000970362084 656014749 /nfs/dbraw/zinc/01/47/49/656014749.db2.gz PCPUUISKMPAPPS-SNVBAGLBSA-N 0 3 293.327 -1.691 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000970373184 656014815 /nfs/dbraw/zinc/01/48/15/656014815.db2.gz ACDJTJBKCXJVIH-NXEZZACHSA-N 0 3 293.327 -1.000 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1)C(N)=O ZINC000970346218 656014841 /nfs/dbraw/zinc/01/48/41/656014841.db2.gz QEIGRDYHCCDCAM-VXNVDRBHSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CCn2cnnn2)C1)C(N)=O ZINC000970325635 656014871 /nfs/dbraw/zinc/01/48/71/656014871.db2.gz LXSHPVPYWTYEOU-RKDXNWHRSA-N 0 3 281.320 -1.873 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970373393 656014880 /nfs/dbraw/zinc/01/48/80/656014880.db2.gz CVUCMDQAEHUDTR-MRVPVSSYSA-N 0 3 267.289 -1.404 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CN(CCCO)C1 ZINC000970419143 656015166 /nfs/dbraw/zinc/01/51/66/656015166.db2.gz XQXKXGWVOQBBBM-ADEWGFFLSA-N 0 3 299.371 -1.162 20 0 CAADHN COc1ccc(C(=O)N2CC[C@@H](NCC(N)=O)C2)nn1 ZINC000970410541 656015235 /nfs/dbraw/zinc/01/52/35/656015235.db2.gz YZNXKMAMLKYEID-MRVPVSSYSA-N 0 3 279.300 -1.225 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC000970426855 656015344 /nfs/dbraw/zinc/01/53/44/656015344.db2.gz WUHKKBJFLZLFEN-MRVPVSSYSA-N 0 3 297.315 -2.396 20 0 CAADHN Cc1ccc(=O)n(CC(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000970538350 656015754 /nfs/dbraw/zinc/01/57/54/656015754.db2.gz WFAHXJLMIHBHRB-SNVBAGLBSA-N 0 3 293.327 -1.772 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(N)=O ZINC000970524155 656015816 /nfs/dbraw/zinc/01/58/16/656015816.db2.gz KUDPSBRKRAQTHR-YIZRAAEISA-N 0 3 268.317 -1.671 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CN(CCCO)C1 ZINC000970504976 656015886 /nfs/dbraw/zinc/01/58/86/656015886.db2.gz XSZMYLYEFGMGOO-WPRPVWTQSA-N 0 3 298.343 -1.597 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000970521027 656016104 /nfs/dbraw/zinc/01/61/04/656016104.db2.gz IULNMRJNFXJWBK-UTLUCORTSA-N 0 3 280.328 -1.656 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC000970521323 656016147 /nfs/dbraw/zinc/01/61/47/656016147.db2.gz NUTBCUDARWNIMY-SFYZADRCSA-N 0 3 254.290 -2.059 20 0 CAADHN C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C1CN(CCCO)C1 ZINC000970577796 656016332 /nfs/dbraw/zinc/01/63/32/656016332.db2.gz RAHJOBABEQJWSM-SECBINFHSA-N 0 3 297.355 -1.142 20 0 CAADHN C[C@H](O)CN1CC([C@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970577650 656016375 /nfs/dbraw/zinc/01/63/75/656016375.db2.gz MTQIJSZYQIYKLN-IUCAKERBSA-N 0 3 297.355 -1.144 20 0 CAADHN C[C@@H](O)CN1CC([C@@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970577651 656016694 /nfs/dbraw/zinc/01/66/94/656016694.db2.gz MTQIJSZYQIYKLN-RKDXNWHRSA-N 0 3 297.355 -1.144 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1)C(N)=O ZINC000970651729 656017261 /nfs/dbraw/zinc/01/72/61/656017261.db2.gz VPTSITYTSQLSEB-DTWKUNHWSA-N 0 3 293.327 -1.542 20 0 CAADHN Cn1nc(C(=O)N2CC[C@@H](NCC(N)=O)C2)ccc1=O ZINC000970651775 656017278 /nfs/dbraw/zinc/01/72/78/656017278.db2.gz YANOFFINOHJDPO-MRVPVSSYSA-N 0 3 279.300 -1.930 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1)C(N)=O ZINC000970651730 656017289 /nfs/dbraw/zinc/01/72/89/656017289.db2.gz VPTSITYTSQLSEB-RKDXNWHRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970728058 656017491 /nfs/dbraw/zinc/01/74/91/656017491.db2.gz RWKFKBXMIMEAES-NWDGAFQWSA-N 0 3 298.387 -1.370 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1)C(N)=O ZINC000970681996 656017758 /nfs/dbraw/zinc/01/77/58/656017758.db2.gz WYJMKOCXXHNHDY-WDEREUQCSA-N 0 3 292.339 -1.087 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000970741498 656017786 /nfs/dbraw/zinc/01/77/86/656017786.db2.gz PTAPIAAHLHIOMW-SFYZADRCSA-N 0 3 290.345 -2.646 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)C(N)=O ZINC000970676282 656017799 /nfs/dbraw/zinc/01/77/99/656017799.db2.gz VWUFFABXHAAFKA-RKDXNWHRSA-N 0 3 296.327 -1.800 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970728059 656017861 /nfs/dbraw/zinc/01/78/61/656017861.db2.gz RWKFKBXMIMEAES-VXGBXAGGSA-N 0 3 298.387 -1.370 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)C(N)=O ZINC000970676281 656017943 /nfs/dbraw/zinc/01/79/43/656017943.db2.gz VWUFFABXHAAFKA-DTWKUNHWSA-N 0 3 296.327 -1.800 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)c(=O)[nH]c1=O ZINC000970705528 656017950 /nfs/dbraw/zinc/01/79/50/656017950.db2.gz NMQZLRVKCYTIHJ-SSDOTTSWSA-N 0 3 295.299 -2.225 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC000970675140 656017971 /nfs/dbraw/zinc/01/79/71/656017971.db2.gz AYWVDYPHJNUSHE-MRVPVSSYSA-N 0 3 282.300 -2.189 20 0 CAADHN O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@@H](NCCF)C1 ZINC000970742516 656018141 /nfs/dbraw/zinc/01/81/41/656018141.db2.gz ZPPJPWARPIWVDU-BDAKNGLRSA-N 0 3 279.337 -1.162 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cccnc2C(N)=O)C1 ZINC000970772271 656018158 /nfs/dbraw/zinc/01/81/58/656018158.db2.gz HQBWNNDCTBFGGO-MRVPVSSYSA-N 0 3 291.311 -1.530 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000970796561 656018439 /nfs/dbraw/zinc/01/84/39/656018439.db2.gz OJLPJSYSSVVPAA-SSDOTTSWSA-N 0 3 295.303 -2.947 20 0 CAADHN O=C(Cn1ccnc1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000970856021 656018825 /nfs/dbraw/zinc/01/88/25/656018825.db2.gz DCDATRKSPNJTHP-MNOVXSKESA-N 0 3 277.328 -1.038 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1)C(N)=O ZINC000970867777 656018971 /nfs/dbraw/zinc/01/89/71/656018971.db2.gz KLGBDUWITRDECB-BBBLOLIVSA-N 0 3 297.359 -1.406 20 0 CAADHN Cc1nonc1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970865248 656019109 /nfs/dbraw/zinc/01/91/09/656019109.db2.gz BBVWBKWHQUIGKA-SSDOTTSWSA-N 0 3 253.262 -1.333 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)Cn2ccnc2)C1)C(N)=O ZINC000970856536 656019120 /nfs/dbraw/zinc/01/91/20/656019120.db2.gz MBYNPCQSQHEMCC-VHSXEESVSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1)C(N)=O ZINC000970867775 656019124 /nfs/dbraw/zinc/01/91/24/656019124.db2.gz KLGBDUWITRDECB-AEJSXWLSSA-N 0 3 297.359 -1.406 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC000970893480 656019777 /nfs/dbraw/zinc/01/97/77/656019777.db2.gz IYDCPWLFGKFLPD-HTQZYQBOSA-N 0 3 282.300 -2.285 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)C(N)=O)C2)C1 ZINC000955161635 656020946 /nfs/dbraw/zinc/02/09/46/656020946.db2.gz LBVYMVZPJZWMGQ-SECBINFHSA-N 0 3 282.344 -1.517 20 0 CAADHN CC(C)C(=O)N[C@H]1C[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001021845785 656022959 /nfs/dbraw/zinc/02/29/59/656022959.db2.gz KXBDNQUDYKCGRR-PHIMTYICSA-N 0 3 296.371 -1.162 20 0 CAADHN O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)N1CCNCC1 ZINC000069145130 656023156 /nfs/dbraw/zinc/02/31/56/656023156.db2.gz WANXAAZYYRIFNK-VIFPVBQESA-N 0 3 297.402 -1.697 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001021850580 656023180 /nfs/dbraw/zinc/02/31/80/656023180.db2.gz JPCNBKFVRMIFSX-UMNHJUIQSA-N 0 3 295.343 -1.033 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001021899623 656023808 /nfs/dbraw/zinc/02/38/08/656023808.db2.gz QLALVZDVVMSMED-WCABBAIRSA-N 0 3 292.343 -1.170 20 0 CAADHN CCS(=O)(=O)NCCNC[C@H](O)CN1CCOCC1 ZINC000390238736 656024338 /nfs/dbraw/zinc/02/43/38/656024338.db2.gz JKKNJXAXJHAQAD-NSHDSACASA-N 0 3 295.405 -1.792 20 0 CAADHN CCS(=O)(=O)NCCNC[C@@H](O)CN1CCOCC1 ZINC000390238735 656024536 /nfs/dbraw/zinc/02/45/36/656024536.db2.gz JKKNJXAXJHAQAD-LLVKDONJSA-N 0 3 295.405 -1.792 20 0 CAADHN CC(=O)NCCN(C)S(=O)(=O)N1CCNCC1 ZINC000308183471 656025082 /nfs/dbraw/zinc/02/50/82/656025082.db2.gz IHWMILCDKWDZNP-UHFFFAOYSA-N 0 3 264.351 -1.796 20 0 CAADHN Cn1nccc1CN[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001022083090 656025934 /nfs/dbraw/zinc/02/59/34/656025934.db2.gz JQJZRNXTQDEEGG-AOOOYVTPSA-N 0 3 290.331 -1.156 20 0 CAADHN NC(=O)CN[C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001022134206 656026338 /nfs/dbraw/zinc/02/63/38/656026338.db2.gz RGWBYTQESXGMMY-OCAPTIKFSA-N 0 3 275.330 -2.247 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21)N(C)C ZINC001022224034 656027036 /nfs/dbraw/zinc/02/70/36/656027036.db2.gz JWNCOWKZRHUSOR-GARJFASQSA-N 0 3 296.371 -1.129 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001022256838 656027240 /nfs/dbraw/zinc/02/72/40/656027240.db2.gz BXUUMEHVXQSJNR-KNVOCYPGSA-N 0 3 265.273 -1.482 20 0 CAADHN CNC(=O)[C@@H](C)CN(C)S(=O)(=O)N1CCNCC1 ZINC000234365111 656027669 /nfs/dbraw/zinc/02/76/69/656027669.db2.gz SYHDTMVIFDXRHB-VIFPVBQESA-N 0 3 278.378 -1.550 20 0 CAADHN O=C(N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)c1cnc[n-]c1=O ZINC001022257360 656027335 /nfs/dbraw/zinc/02/73/35/656027335.db2.gz QSWFTUCABCWIRE-XKSSXDPKSA-N 0 3 291.311 -1.079 20 0 CAADHN C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1)C(N)=O ZINC001022256076 656027480 /nfs/dbraw/zinc/02/74/80/656027480.db2.gz RBSZFVDUAFSYOJ-BIIVOSGPSA-N 0 3 279.300 -1.094 20 0 CAADHN CNC(=O)CCN(C)S(=O)(=O)N1CCNCC1 ZINC000234358155 656027948 /nfs/dbraw/zinc/02/79/48/656027948.db2.gz XWMNUSYAHJGWQM-UHFFFAOYSA-N 0 3 264.351 -1.796 20 0 CAADHN C[C@H](N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1)c1nnnn1C ZINC001022354134 656028339 /nfs/dbraw/zinc/02/83/39/656028339.db2.gz FFYZBGPDYMFPDZ-BIIVOSGPSA-N 0 3 291.319 -1.060 20 0 CAADHN NC(=O)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001022386705 656028358 /nfs/dbraw/zinc/02/83/58/656028358.db2.gz CXVHCYHAJSFUMM-XHNCKOQMSA-N 0 3 289.357 -1.857 20 0 CAADHN COc1c[nH]c(C(=O)N[C@H]2C[C@@H](NCC(N)=O)C2)cc1=O ZINC001022433706 656029179 /nfs/dbraw/zinc/02/91/79/656029179.db2.gz RLTOLJYUWGSYEW-OCAPTIKFSA-N 0 3 294.311 -1.281 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)C[C@@H](C)O1 ZINC000926281381 656029325 /nfs/dbraw/zinc/02/93/25/656029325.db2.gz OCOCOSSXQKVYSP-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCOCC1 ZINC000926281916 656029359 /nfs/dbraw/zinc/02/93/59/656029359.db2.gz RGVQRMORXMAIKI-UHFFFAOYSA-N 0 3 270.333 -2.133 20 0 CAADHN CO[C@@H]1CCOC[C@H]1NCCNS(C)(=O)=O ZINC000934040402 656029627 /nfs/dbraw/zinc/02/96/27/656029627.db2.gz OSRKHIMPXOLBOK-RKDXNWHRSA-N 0 3 252.336 -1.071 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001022538494 656030323 /nfs/dbraw/zinc/03/03/23/656030323.db2.gz ZXOYAWWAYKDVEV-NGZCFLSTSA-N 0 3 292.343 -1.312 20 0 CAADHN CC[C@H](C(=O)N1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1)N(C)C ZINC001022552436 656030690 /nfs/dbraw/zinc/03/06/90/656030690.db2.gz NGRASITUPJLVKY-HBNTYKKESA-N 0 3 296.371 -1.129 20 0 CAADHN COc1ccc(CN[C@H]2C[C@@H](NC(=O)C(N)=O)C2)nn1 ZINC001022633263 656032319 /nfs/dbraw/zinc/03/23/19/656032319.db2.gz GTKMPBNYTQAQLX-DTORHVGOSA-N 0 3 279.300 -1.293 20 0 CAADHN NC(=O)C(=O)N[C@H]1C[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001022634803 656032363 /nfs/dbraw/zinc/03/23/63/656032363.db2.gz ODJSHGRGLGVIMK-OCAPTIKFSA-N 0 3 297.315 -3.333 20 0 CAADHN Cn1nccc1CN[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001022633895 656032568 /nfs/dbraw/zinc/03/25/68/656032568.db2.gz XJFXTNLXSWFYQI-OCAPTIKFSA-N 0 3 251.290 -1.358 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001022726194 656033915 /nfs/dbraw/zinc/03/39/15/656033915.db2.gz RUGXBZQGQLDMCE-MKHNBGRSSA-N 0 3 292.343 -1.327 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CC(=O)N1 ZINC000926408717 656034421 /nfs/dbraw/zinc/03/44/21/656034421.db2.gz INNFASJGEDZBPV-SNVBAGLBSA-N 0 3 297.359 -2.645 20 0 CAADHN CN(CC1(O)CCC1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926407266 656034726 /nfs/dbraw/zinc/03/47/26/656034726.db2.gz NUGUMODTUMDHML-UHFFFAOYSA-N 0 3 298.387 -1.619 20 0 CAADHN O=C(Cc1c[nH]cn1)N1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001022863182 656038520 /nfs/dbraw/zinc/03/85/20/656038520.db2.gz HCPYJBADSDLAMT-HTQZYQBOSA-N 0 3 288.254 -1.095 20 0 CAADHN Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001022869025 656039312 /nfs/dbraw/zinc/03/93/12/656039312.db2.gz IHTHUKXUYCIYCB-OCAPTIKFSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001022869025 656039314 /nfs/dbraw/zinc/03/93/14/656039314.db2.gz IHTHUKXUYCIYCB-OCAPTIKFSA-N 0 3 276.304 -1.016 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001022956208 656040241 /nfs/dbraw/zinc/04/02/41/656040241.db2.gz VVWZZANAPVHIAT-KXUCPTDWSA-N 0 3 292.343 -1.137 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001022953129 656040262 /nfs/dbraw/zinc/04/02/62/656040262.db2.gz IMSXAIXXINZISI-DTORHVGOSA-N 0 3 290.331 -1.087 20 0 CAADHN Cn1ncc(CN[C@H]2C[C@@H](NC(=O)Cc3nnc[nH]3)C2)n1 ZINC001022953547 656040477 /nfs/dbraw/zinc/04/04/77/656040477.db2.gz UJIIKQPGIIJVNK-DTORHVGOSA-N 0 3 290.331 -1.087 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001022996512 656040790 /nfs/dbraw/zinc/04/07/90/656040790.db2.gz QLALVZDVVMSMED-NGZCFLSTSA-N 0 3 292.343 -1.170 20 0 CAADHN NC(=O)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001023112208 656042811 /nfs/dbraw/zinc/04/28/11/656042811.db2.gz XJXDQWWMXGPEBI-HRDYMLBCSA-N 0 3 289.357 -1.714 20 0 CAADHN CCS(=O)(=O)NCCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924478851 656043967 /nfs/dbraw/zinc/04/39/67/656043967.db2.gz QNRYMVCIWRDXIM-MRVPVSSYSA-N 0 3 292.361 -1.592 20 0 CAADHN O=C1NC[C@@H]2CN(S(=O)(=O)N3CCNCC3)CCN12 ZINC000091753601 656044210 /nfs/dbraw/zinc/04/42/10/656044210.db2.gz OTPQVEIBUMKOKF-SECBINFHSA-N 0 3 289.361 -2.154 20 0 CAADHN CNC(=O)CN1CCC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457443 656046301 /nfs/dbraw/zinc/04/63/01/656046301.db2.gz PMUYMCWTQBMOKG-VIFPVBQESA-N 0 3 280.332 -1.008 20 0 CAADHN CNC(=O)CN1CCC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023656537 656049116 /nfs/dbraw/zinc/04/91/16/656049116.db2.gz ZQPRNULTPRHCHL-SECBINFHSA-N 0 3 280.332 -1.008 20 0 CAADHN CNC(=O)CN1CCC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023656537 656049118 /nfs/dbraw/zinc/04/91/18/656049118.db2.gz ZQPRNULTPRHCHL-SECBINFHSA-N 0 3 280.332 -1.008 20 0 CAADHN C[C@@H](O)CN1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972792564 656050527 /nfs/dbraw/zinc/05/05/27/656050527.db2.gz BCAOWXFNABMTQY-NXEZZACHSA-N 0 3 282.348 -1.120 20 0 CAADHN O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1CNC(=O)N1 ZINC001024628555 656054401 /nfs/dbraw/zinc/05/44/01/656054401.db2.gz SBXKJUVMOFLKPO-UWVGGRQHSA-N 0 3 270.333 -1.369 20 0 CAADHN COCC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001024955593 656055972 /nfs/dbraw/zinc/05/59/72/656055972.db2.gz BQXKMLDLAPRKIU-GHMZBOCLSA-N 0 3 296.327 -1.405 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001024956479 656056081 /nfs/dbraw/zinc/05/60/81/656056081.db2.gz FNBDXXRUHPOAPO-RKDXNWHRSA-N 0 3 295.299 -2.566 20 0 CAADHN CN1CC[C@H](NC[C@H]2CCCCN2C(=O)C(N)=O)C1=O ZINC001025064235 656056803 /nfs/dbraw/zinc/05/68/03/656056803.db2.gz OUASOYLQZYPUBQ-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CCOCC(=O)NNC(=O)NCCN(C)CCOC ZINC000066703118 656060551 /nfs/dbraw/zinc/06/05/51/656060551.db2.gz NRWLVTFOGSBHOY-UHFFFAOYSA-N 0 3 276.337 -1.069 20 0 CAADHN CC1(C)CNC(=O)[C@H]1NC[C@]12COCCN1C(=O)COC2 ZINC000926804860 656060317 /nfs/dbraw/zinc/06/03/17/656060317.db2.gz XPMQZXZDMKZTCW-BXUZGUMPSA-N 0 3 297.355 -1.272 20 0 CAADHN CN1CC[C@H](N[C@H]2CCN(C(=O)c3cnnn3C)C2)C1=O ZINC001018794848 656061136 /nfs/dbraw/zinc/06/11/36/656061136.db2.gz MTKBRPFHJGURQU-UWVGGRQHSA-N 0 3 292.343 -1.150 20 0 CAADHN CC[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC001025381663 656062942 /nfs/dbraw/zinc/06/29/42/656062942.db2.gz PBGBXECLPGBRHP-HRDYMLBCSA-N 0 3 286.332 -2.500 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025383584 656063158 /nfs/dbraw/zinc/06/31/58/656063158.db2.gz PLTHFTDRUYRXNF-OPRDCNLKSA-N 0 3 298.343 -2.499 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)C2)n1 ZINC001018810405 656063494 /nfs/dbraw/zinc/06/34/94/656063494.db2.gz XOULNHKWLSYCGE-IUCAKERBSA-N 0 3 280.332 -1.024 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC000973488737 656064369 /nfs/dbraw/zinc/06/43/69/656064369.db2.gz IGVMZMPQYGPGEM-ZKCHVHJHSA-N 0 3 279.300 -1.491 20 0 CAADHN O=C([C@@H]1CSCC(=O)N1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000935982137 656065121 /nfs/dbraw/zinc/06/51/21/656065121.db2.gz BKYAOSPDRYWTAM-MXWKQRLJSA-N 0 3 299.396 -1.115 20 0 CAADHN O=C([C@@H]1CSCC(=O)N1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000935982133 656065242 /nfs/dbraw/zinc/06/52/42/656065242.db2.gz BKYAOSPDRYWTAM-DCAQKATOSA-N 0 3 299.396 -1.115 20 0 CAADHN O=C([C@@H]1CSCC(=O)N1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000935982139 656065245 /nfs/dbraw/zinc/06/52/45/656065245.db2.gz BKYAOSPDRYWTAM-VWYCJHECSA-N 0 3 299.396 -1.115 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001018998181 656065402 /nfs/dbraw/zinc/06/54/02/656065402.db2.gz SZRVWVHIZKQDFE-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001019120276 656065411 /nfs/dbraw/zinc/06/54/11/656065411.db2.gz VYJZFINYUAZNFS-ZJUUUORDSA-N 0 3 282.344 -1.279 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1)C(N)=O ZINC001019247807 656065461 /nfs/dbraw/zinc/06/54/61/656065461.db2.gz IOTIXIUNZUKVGY-UTLUCORTSA-N 0 3 282.344 -1.329 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001019317799 656065805 /nfs/dbraw/zinc/06/58/05/656065805.db2.gz GCSMZGVZHNVYSY-IUCAKERBSA-N 0 3 280.328 -1.669 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@H]1COCCO1 ZINC001025686066 656066480 /nfs/dbraw/zinc/06/64/80/656066480.db2.gz HWZNIBQRHJNSLG-ROHXPCBUSA-N 0 3 295.339 -1.663 20 0 CAADHN COC(=O)[C@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001025706223 656066662 /nfs/dbraw/zinc/06/66/62/656066662.db2.gz RIWISYVVMAFVKP-LADJIXMOSA-N 0 3 268.313 -1.166 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@@H]1COCCO1 ZINC001025686062 656066769 /nfs/dbraw/zinc/06/67/69/656066769.db2.gz HWZNIBQRHJNSLG-KZZRWZIVSA-N 0 3 295.339 -1.663 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001025706222 656067082 /nfs/dbraw/zinc/06/70/82/656067082.db2.gz RIWISYVVMAFVKP-APLZJWDSSA-N 0 3 268.313 -1.166 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1COCCO1 ZINC001025686064 656067086 /nfs/dbraw/zinc/06/70/86/656067086.db2.gz HWZNIBQRHJNSLG-LVEVGFFFSA-N 0 3 295.339 -1.663 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@]12C[C@H]1COC2 ZINC001025797524 656067808 /nfs/dbraw/zinc/06/78/08/656067808.db2.gz CDNPAJOGXZFMMI-FCNZTCNPSA-N 0 3 291.351 -1.042 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1COC(=O)N1 ZINC001025764385 656068329 /nfs/dbraw/zinc/06/83/29/656068329.db2.gz RNDXIMPZAWPCSS-SQXHDICFSA-N 0 3 294.311 -1.970 20 0 CAADHN C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC(=O)N1 ZINC001025847924 656068537 /nfs/dbraw/zinc/06/85/37/656068537.db2.gz BRSFBZSCKBDNMF-VLLVSFFDSA-N 0 3 281.356 -1.060 20 0 CAADHN C[C@@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC(=O)N1 ZINC001025847925 656068781 /nfs/dbraw/zinc/06/87/81/656068781.db2.gz BRSFBZSCKBDNMF-YFVNTRNASA-N 0 3 281.356 -1.060 20 0 CAADHN NC(=O)CN[C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001020194447 656069840 /nfs/dbraw/zinc/06/98/40/656069840.db2.gz RGWBYTQESXGMMY-ZKCHVHJHSA-N 0 3 275.330 -2.247 20 0 CAADHN C[C@H](N[C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1)C(N)=O ZINC001020193411 656069925 /nfs/dbraw/zinc/06/99/25/656069925.db2.gz UWBWJVLUUISGGP-XVYDVKMFSA-N 0 3 289.357 -1.858 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC001025994658 656070250 /nfs/dbraw/zinc/07/02/50/656070250.db2.gz YKVKWSUWWUYOCD-SQXHDICFSA-N 0 3 293.327 -2.397 20 0 CAADHN NC(=O)[C@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001025941251 656070405 /nfs/dbraw/zinc/07/04/05/656070405.db2.gz ZSFHZDDODCQKHN-LADJIXMOSA-N 0 3 267.329 -1.463 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@H]1CNC(=O)N1 ZINC001025994657 656070434 /nfs/dbraw/zinc/07/04/34/656070434.db2.gz YKVKWSUWWUYOCD-KGDYZURWSA-N 0 3 293.327 -2.397 20 0 CAADHN NC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001025941250 656070522 /nfs/dbraw/zinc/07/05/22/656070522.db2.gz ZSFHZDDODCQKHN-APLZJWDSSA-N 0 3 267.329 -1.463 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001026049562 656070840 /nfs/dbraw/zinc/07/08/40/656070840.db2.gz VLXRDNXAEKVJOT-JXVKQMKBSA-N 0 3 292.339 -1.957 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cn[n-]n3)C[C@H]21 ZINC001026302291 656072870 /nfs/dbraw/zinc/07/28/70/656072870.db2.gz MARKAHHOAGPXAQ-DJLDLDEBSA-N 0 3 278.316 -1.270 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cn[n-]n3)C[C@@H]21 ZINC001026302294 656072986 /nfs/dbraw/zinc/07/29/86/656072986.db2.gz MARKAHHOAGPXAQ-XHNCKOQMSA-N 0 3 278.316 -1.270 20 0 CAADHN Cn1cc(CN[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)nn1 ZINC001026345247 656073478 /nfs/dbraw/zinc/07/34/78/656073478.db2.gz DOLGHWARGRHQIS-INTQDDNPSA-N 0 3 292.343 -1.373 20 0 CAADHN Cc1nnc(CN[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]23)[nH]1 ZINC001026345321 656073588 /nfs/dbraw/zinc/07/35/88/656073588.db2.gz FHMQJAUTIFNOMH-OPRDCNLKSA-N 0 3 292.343 -1.075 20 0 CAADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008181595 656073907 /nfs/dbraw/zinc/07/39/07/656073907.db2.gz GCWRKIFOLQRNDF-VXGBXAGGSA-N 0 3 298.387 -1.620 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3nc[n-]n3)C[C@H]12 ZINC001026380006 656074125 /nfs/dbraw/zinc/07/41/25/656074125.db2.gz LKZQLYRRKTYMNB-HRDYMLBCSA-N 0 3 278.316 -1.270 20 0 CAADHN C[C@H](O)CN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008181594 656074211 /nfs/dbraw/zinc/07/42/11/656074211.db2.gz GCWRKIFOLQRNDF-RYUDHWBXSA-N 0 3 298.387 -1.620 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(N)=O)CCN1CCN1CCNC1=O ZINC000947676401 656074445 /nfs/dbraw/zinc/07/44/45/656074445.db2.gz WFZLTFSEDLPNTB-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)C(N)=O)CCN1CCn1cncn1 ZINC000947679131 656074771 /nfs/dbraw/zinc/07/47/71/656074771.db2.gz GDPPTVKECOIIBD-UWVGGRQHSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@H]1C[C@H](NC(=O)C(N)=O)CCN1CCN1CCNC1=O ZINC000947676400 656074801 /nfs/dbraw/zinc/07/48/01/656074801.db2.gz WFZLTFSEDLPNTB-VHSXEESVSA-N 0 3 297.359 -1.534 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(N)=O)CCN1CCN1CCNC1=O ZINC000947676398 656074811 /nfs/dbraw/zinc/07/48/11/656074811.db2.gz WFZLTFSEDLPNTB-NXEZZACHSA-N 0 3 297.359 -1.534 20 0 CAADHN COc1nccc(CNC[C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001027034042 656079012 /nfs/dbraw/zinc/07/90/12/656079012.db2.gz VUNPRAFQLHGFLX-SECBINFHSA-N 0 3 293.327 -1.091 20 0 CAADHN Cn1ccc(CNC[C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001027033890 656079144 /nfs/dbraw/zinc/07/91/44/656079144.db2.gz QMHFAHUSHUMYMM-VIFPVBQESA-N 0 3 265.317 -1.157 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H](CNCc2cnns2)C1 ZINC001027034188 656079372 /nfs/dbraw/zinc/07/93/72/656079372.db2.gz XQABFYLNDOJFBX-ZETCQYMHSA-N 0 3 269.330 -1.039 20 0 CAADHN Cn1ccnc1CNC[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001027029847 656079643 /nfs/dbraw/zinc/07/96/43/656079643.db2.gz IYFMOBBERCLBTP-VIFPVBQESA-N 0 3 265.317 -1.157 20 0 CAADHN Cn1ccnc1CNC[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001027029846 656079790 /nfs/dbraw/zinc/07/97/90/656079790.db2.gz IYFMOBBERCLBTP-SECBINFHSA-N 0 3 265.317 -1.157 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977084113 656086180 /nfs/dbraw/zinc/08/61/80/656086180.db2.gz HIPFDRCOOJXERL-SVDPJWKOSA-N 0 3 294.355 -1.471 20 0 CAADHN C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977084115 656086335 /nfs/dbraw/zinc/08/63/35/656086335.db2.gz HIPFDRCOOJXERL-UXCLJVHYSA-N 0 3 294.355 -1.471 20 0 CAADHN C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000977197018 656088393 /nfs/dbraw/zinc/08/83/93/656088393.db2.gz OZSDKCZEABAKSA-UXCLJVHYSA-N 0 3 294.355 -1.471 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000977203127 656088570 /nfs/dbraw/zinc/08/85/70/656088570.db2.gz JTWHPZAFQPEZNF-UXCLJVHYSA-N 0 3 294.355 -1.614 20 0 CAADHN CN(CCn1cncn1)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027554504 656090473 /nfs/dbraw/zinc/09/04/73/656090473.db2.gz RXUGLARYPSKFKX-SNVBAGLBSA-N 0 3 280.332 -1.314 20 0 CAADHN C[C@H](NCc1ccnn1C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979358850 656094744 /nfs/dbraw/zinc/09/47/44/656094744.db2.gz MSXCTPOLWQWVFH-GXSJLCMTSA-N 0 3 295.343 -1.389 20 0 CAADHN Cc1nc(CN[C@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n[nH]1 ZINC000979354945 656094820 /nfs/dbraw/zinc/09/48/20/656094820.db2.gz FETOTPKRBWCJIZ-APPZFPTMSA-N 0 3 296.331 -1.696 20 0 CAADHN Cc1nc(CN[C@@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n[nH]1 ZINC000979354954 656094903 /nfs/dbraw/zinc/09/49/03/656094903.db2.gz FETOTPKRBWCJIZ-IONNQARKSA-N 0 3 296.331 -1.696 20 0 CAADHN C[C@H](NCc1ccnn1C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979358856 656095089 /nfs/dbraw/zinc/09/50/89/656095089.db2.gz MSXCTPOLWQWVFH-ONGXEEELSA-N 0 3 295.343 -1.389 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@H]1CCC(=O)N1 ZINC001027790368 656095121 /nfs/dbraw/zinc/09/51/21/656095121.db2.gz HJAWIGPNZARBJI-NXEZZACHSA-N 0 3 255.318 -1.162 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NC[C@@H]1CCCN1CCO ZINC001027835300 656096674 /nfs/dbraw/zinc/09/66/74/656096674.db2.gz ZFWDETXUQGKQEO-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN O=C(Cn1cnnn1)N1CCCN(CCCO)CC1 ZINC000980679684 656099303 /nfs/dbraw/zinc/09/93/03/656099303.db2.gz XQRAFDQJTCZAPS-UHFFFAOYSA-N 0 3 268.321 -1.410 20 0 CAADHN CN(CCS(C)(=O)=O)S(=O)(=O)N1CCNCC1 ZINC000094298906 656100644 /nfs/dbraw/zinc/10/06/44/656100644.db2.gz YAHQAZNJHWPGEX-UHFFFAOYSA-N 0 3 285.391 -1.887 20 0 CAADHN O=C(CN1CN=NC1=O)N1CCCN(CCCO)CC1 ZINC000981016177 656102178 /nfs/dbraw/zinc/10/21/78/656102178.db2.gz XLEMNXFFGXKRPC-UHFFFAOYSA-N 0 3 283.332 -1.100 20 0 CAADHN O=C(Cn1ncnn1)N1CCCN(CCCO)CC1 ZINC000981174882 656102979 /nfs/dbraw/zinc/10/29/79/656102979.db2.gz ZXQZYZGCGXZUBI-UHFFFAOYSA-N 0 3 268.321 -1.410 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CCCN2CCO)ncc1=O ZINC001028037845 656103253 /nfs/dbraw/zinc/10/32/53/656103253.db2.gz IVIUBTMBDRNCMF-SNVBAGLBSA-N 0 3 280.328 -1.033 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@H]2CCCN2CCO)NC1=O ZINC001028069042 656103371 /nfs/dbraw/zinc/10/33/71/656103371.db2.gz AGEHLNQQEZLTOJ-UWVGGRQHSA-N 0 3 270.333 -1.417 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H]2CCCN2CCO)NC1=O ZINC001028069040 656103465 /nfs/dbraw/zinc/10/34/65/656103465.db2.gz AGEHLNQQEZLTOJ-NXEZZACHSA-N 0 3 270.333 -1.417 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CCCN2CCO)ncc1=O ZINC001028037844 656103475 /nfs/dbraw/zinc/10/34/75/656103475.db2.gz IVIUBTMBDRNCMF-JTQLQIEISA-N 0 3 280.328 -1.033 20 0 CAADHN Cn1cc(CN[C@H]2CCC[C@H](NC(=O)C(N)=O)C2)nn1 ZINC000981303298 656103838 /nfs/dbraw/zinc/10/38/38/656103838.db2.gz KEKAFUTYPFEQSK-IUCAKERBSA-N 0 3 280.332 -1.183 20 0 CAADHN C[C@H](O)CN1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028078108 656103943 /nfs/dbraw/zinc/10/39/43/656103943.db2.gz CJUTWEPOJRXKQV-DTWKUNHWSA-N 0 3 268.321 -1.215 20 0 CAADHN Cn1cc(CN[C@H]2CCC[C@@H](NC(=O)C(N)=O)C2)nn1 ZINC000981303297 656104209 /nfs/dbraw/zinc/10/42/09/656104209.db2.gz KEKAFUTYPFEQSK-DTWKUNHWSA-N 0 3 280.332 -1.183 20 0 CAADHN Cn1nnc(C(=O)NC[C@H]2CCCN2CCCO)n1 ZINC001028081280 656104745 /nfs/dbraw/zinc/10/47/45/656104745.db2.gz NRJUSGVBZLYACQ-SECBINFHSA-N 0 3 268.321 -1.213 20 0 CAADHN O=C(CN1CCOCC1=O)N1CCCN(CCCO)CC1 ZINC000981344706 656104759 /nfs/dbraw/zinc/10/47/59/656104759.db2.gz CTJNQUOUUWPQGJ-UHFFFAOYSA-N 0 3 299.371 -1.238 20 0 CAADHN Cn1cnn(CC(=O)N2CCCN(CCCO)CC2)c1=O ZINC000981503067 656105752 /nfs/dbraw/zinc/10/57/52/656105752.db2.gz FMIJCHXKZYOEFY-UHFFFAOYSA-N 0 3 297.359 -1.502 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000981742390 656106315 /nfs/dbraw/zinc/10/63/15/656106315.db2.gz CNIRRQNWTCHZDJ-GFCCVEGCSA-N 0 3 298.387 -1.667 20 0 CAADHN O=C(Cn1ncnn1)N1CC2(C1)CCCN(CCO)C2 ZINC000981771564 656107495 /nfs/dbraw/zinc/10/74/95/656107495.db2.gz XYODDMDSQSMKBY-UHFFFAOYSA-N 0 3 280.332 -1.410 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981751065 656107738 /nfs/dbraw/zinc/10/77/38/656107738.db2.gz MMQZPRUWJQNJDQ-MNOVXSKESA-N 0 3 284.360 -1.075 20 0 CAADHN NC(=O)C(=O)N1CCCN(C[C@@H]2CCNC(=O)CC2)CC1 ZINC000981862008 656108460 /nfs/dbraw/zinc/10/84/60/656108460.db2.gz PYPGJBABBFYALF-NSHDSACASA-N 0 3 296.371 -1.078 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1CCCN(CCCO)CC1 ZINC000981854044 656108510 /nfs/dbraw/zinc/10/85/10/656108510.db2.gz ZNPBPZOMTFUUSV-SNVBAGLBSA-N 0 3 270.333 -1.416 20 0 CAADHN Cn1nnc(C(=O)N2CC3(C2)CCCN(CCO)C3)n1 ZINC000981946735 656108924 /nfs/dbraw/zinc/10/89/24/656108924.db2.gz JFRPYCFUZJFALD-UHFFFAOYSA-N 0 3 280.332 -1.260 20 0 CAADHN CN1CCN(S(=O)(=O)CCS(C)(=O)=O)[C@@H](CN)C1 ZINC000226619870 656109427 /nfs/dbraw/zinc/10/94/27/656109427.db2.gz MBAKBNQPWOINCN-VIFPVBQESA-N 0 3 299.418 -2.065 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@@H]1CC(=O)NC(=O)N1 ZINC001028171421 656109533 /nfs/dbraw/zinc/10/95/33/656109533.db2.gz GRFGITNHJOJNNM-BDAKNGLRSA-N 0 3 284.316 -1.843 20 0 CAADHN O=C(C1CC(=O)NC(=O)C1)N1CCCN(CCCO)CC1 ZINC000982197254 656111023 /nfs/dbraw/zinc/11/10/23/656111023.db2.gz QNIIPSIIQMXJHU-UHFFFAOYSA-N 0 3 297.355 -1.044 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000982201304 656111232 /nfs/dbraw/zinc/11/12/32/656111232.db2.gz CPKLSIWDZSSMBX-JTQLQIEISA-N 0 3 297.355 -1.046 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@@H]1CCC(=O)N1 ZINC001028272781 656111705 /nfs/dbraw/zinc/11/17/05/656111705.db2.gz HJAWIGPNZARBJI-UWVGGRQHSA-N 0 3 255.318 -1.162 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)NC[C@H]2CCCN2CCO)C1 ZINC001028294790 656112806 /nfs/dbraw/zinc/11/28/06/656112806.db2.gz IJYWGHBHEASDLE-CHWSQXEVSA-N 0 3 299.371 -1.193 20 0 CAADHN Cn1nnc(C(=O)N2C[C@@]3(C)CN(CCO)C[C@@]3(C)C2)n1 ZINC000982460520 656112915 /nfs/dbraw/zinc/11/29/15/656112915.db2.gz DCMAPFUFWLMTTP-BETUJISGSA-N 0 3 294.359 -1.014 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@@H]1CCS(=O)(=O)N1 ZINC001028324992 656113185 /nfs/dbraw/zinc/11/31/85/656113185.db2.gz GMEACQAQPLEPKA-UWVGGRQHSA-N 0 3 291.373 -1.749 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@H]1CCS(=O)(=O)N1 ZINC001028324991 656113386 /nfs/dbraw/zinc/11/33/86/656113386.db2.gz GMEACQAQPLEPKA-NXEZZACHSA-N 0 3 291.373 -1.749 20 0 CAADHN CC(=O)NC[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001028358956 656113907 /nfs/dbraw/zinc/11/39/07/656113907.db2.gz IVWOKEIMONFKFX-JTQLQIEISA-N 0 3 268.317 -1.004 20 0 CAADHN CC(=O)NC[C@@H]1CCN(C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001028359718 656114016 /nfs/dbraw/zinc/11/40/16/656114016.db2.gz UTKIUQKLHRGICP-NWDGAFQWSA-N 0 3 297.355 -1.046 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCN(CC(N)=O)C2)O1 ZINC001028627774 656117740 /nfs/dbraw/zinc/11/77/40/656117740.db2.gz IDDFKTFZXOXFFY-IJLUTSLNSA-N 0 3 298.387 -1.371 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCN(CC(N)=O)C2)O1 ZINC001028627773 656117796 /nfs/dbraw/zinc/11/77/96/656117796.db2.gz IDDFKTFZXOXFFY-GRYCIOLGSA-N 0 3 298.387 -1.371 20 0 CAADHN COC(=O)NCCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924916900 656118371 /nfs/dbraw/zinc/11/83/71/656118371.db2.gz JERDRXAGRUYSCY-ZETCQYMHSA-N 0 3 258.278 -1.176 20 0 CAADHN CO[C@@H]1COC[C@H]1N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924957576 656118909 /nfs/dbraw/zinc/11/89/09/656118909.db2.gz CJGXSPAMZBWEBP-IWSPIJDZSA-N 0 3 257.290 -1.118 20 0 CAADHN CCN(OC)C(=O)CN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924958703 656119024 /nfs/dbraw/zinc/11/90/24/656119024.db2.gz GIWPFNKZVIUFOB-QMMMGPOBSA-N 0 3 272.305 -1.122 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N([C@@H]2CCc3nnnn3CC2)C1=O ZINC000924947493 656119100 /nfs/dbraw/zinc/11/91/00/656119100.db2.gz RGDYXROIRAKPRG-BDAKNGLRSA-N 0 3 293.331 -1.140 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N([C@H]2CCC(=O)N(C)C2=O)C1=O ZINC000924951878 656119213 /nfs/dbraw/zinc/11/92/13/656119213.db2.gz STEILSQUESFVPD-YUMQZZPRSA-N 0 3 282.300 -1.384 20 0 CAADHN CCON(C)C(=O)CN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924966573 656121529 /nfs/dbraw/zinc/12/15/29/656121529.db2.gz FOIICSKZKAONDZ-MRVPVSSYSA-N 0 3 272.305 -1.122 20 0 CAADHN CN1C[C@H](O)C[C@@H]1CNC(=O)[C@]1(C)C[C@H](O)CN1C ZINC000924973720 656121916 /nfs/dbraw/zinc/12/19/16/656121916.db2.gz FNXFFUXASMJQNT-DCQANWLSSA-N 0 3 271.361 -1.377 20 0 CAADHN CN(CCO)CCNC(=O)CN1CCCC[C@H](O)C1=O ZINC000925006249 656122700 /nfs/dbraw/zinc/12/27/00/656122700.db2.gz WQSLBBBGSFUZRY-NSHDSACASA-N 0 3 287.360 -1.600 20 0 CAADHN CN(CCO)CCNC(=O)[C@H](O)C1CCOCC1 ZINC000925006719 656122864 /nfs/dbraw/zinc/12/28/64/656122864.db2.gz AUQNYSXOMHEXHG-LLVKDONJSA-N 0 3 260.334 -1.186 20 0 CAADHN CN(CCO)CCNC(=O)c1ccc2nnnn2c1 ZINC000925006560 656122874 /nfs/dbraw/zinc/12/28/74/656122874.db2.gz ZGXJVHLOJQVQDB-UHFFFAOYSA-N 0 3 264.289 -1.222 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001028877034 656122885 /nfs/dbraw/zinc/12/28/85/656122885.db2.gz NAYZCTRQBXDDEV-JGVFFNPUSA-N 0 3 266.305 -1.270 20 0 CAADHN CN(CCO)CCNC(=O)CN1CCCC[C@@H](O)C1=O ZINC000925006248 656123254 /nfs/dbraw/zinc/12/32/54/656123254.db2.gz WQSLBBBGSFUZRY-LLVKDONJSA-N 0 3 287.360 -1.600 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@H]2CCN(CC(N)=O)C2)C1 ZINC001028996943 656123750 /nfs/dbraw/zinc/12/37/50/656123750.db2.gz MHGKFDLYMSLVNQ-VXGBXAGGSA-N 0 3 298.387 -1.370 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@@H]2CCN(CC(N)=O)C2)C1 ZINC001028996941 656124016 /nfs/dbraw/zinc/12/40/16/656124016.db2.gz MHGKFDLYMSLVNQ-NWDGAFQWSA-N 0 3 298.387 -1.370 20 0 CAADHN CON(C)C(=O)[C@@H](C)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000925030875 656124113 /nfs/dbraw/zinc/12/41/13/656124113.db2.gz KVWZCWZQOILIBB-HTQZYQBOSA-N 0 3 272.305 -1.123 20 0 CAADHN C[C@@H]1[C@H](NC(=O)CNS(=O)(=O)N(C)C)CCN1C ZINC000928437660 656125034 /nfs/dbraw/zinc/12/50/34/656125034.db2.gz RTFIALLMLUMGOI-RKDXNWHRSA-N 0 3 278.378 -1.409 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCN1C ZINC000928458588 656125510 /nfs/dbraw/zinc/12/55/10/656125510.db2.gz SVTUPAQMRVGZTC-ZJUUUORDSA-N 0 3 280.328 -1.244 20 0 CAADHN NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCO ZINC001029246442 656125866 /nfs/dbraw/zinc/12/58/66/656125866.db2.gz GYUVQLGURJLIRJ-AOOOYVTPSA-N 0 3 255.318 -1.081 20 0 CAADHN CN1CC[C@@H]1CNC(=O)COCC(=O)NC[C@@H]1CCN1C ZINC000928563785 656127765 /nfs/dbraw/zinc/12/77/65/656127765.db2.gz RPMAHEHJPBQONW-TXEJJXNPSA-N 0 3 298.387 -1.356 20 0 CAADHN COc1cncc(CNC[C@H]2C[C@H](NC(=O)C(N)=O)C2)n1 ZINC000984727929 656129077 /nfs/dbraw/zinc/12/90/77/656129077.db2.gz ITLPHIZAIOXSEY-KYZUINATSA-N 0 3 293.327 -1.045 20 0 CAADHN Cn1ccc(CNC[C@H]2C[C@H](NC(=O)C(N)=O)C2)n1 ZINC000984726936 656129318 /nfs/dbraw/zinc/12/93/18/656129318.db2.gz ZNYZSSCEAZNXNR-CZMCAQCFSA-N 0 3 265.317 -1.110 20 0 CAADHN CN(CCO)C1CCN(C(=O)CS(C)(=O)=O)CC1 ZINC000985319573 656131269 /nfs/dbraw/zinc/13/12/69/656131269.db2.gz WSLSKFJYVUNEGU-UHFFFAOYSA-N 0 3 278.374 -1.054 20 0 CAADHN CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)[C@@H]1CCN(C)C1=O ZINC001029684470 656132356 /nfs/dbraw/zinc/13/23/56/656132356.db2.gz VUGZLTLKYIMWFQ-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000985409999 656132368 /nfs/dbraw/zinc/13/23/68/656132368.db2.gz BNSRQNLDNAJFDX-PSASIEDQSA-N 0 3 298.343 -1.109 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)[C@@H]1CCN(C)C1=O ZINC001029684473 656132487 /nfs/dbraw/zinc/13/24/87/656132487.db2.gz VUGZLTLKYIMWFQ-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)[C@H]1CCNC1=O ZINC001029682480 656132515 /nfs/dbraw/zinc/13/25/15/656132515.db2.gz VXQKLEMPJWTDGL-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)[C@@H]1CCNC1=O ZINC001029682481 656132645 /nfs/dbraw/zinc/13/26/45/656132645.db2.gz VXQKLEMPJWTDGL-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN COC(=O)[C@@H](F)CN1C(=O)N[C@H](CN(C)C)C1=O ZINC000925159593 656133001 /nfs/dbraw/zinc/13/30/01/656133001.db2.gz YBPOJPRXASUMGI-NKWVEPMBSA-N 0 3 261.253 -1.021 20 0 CAADHN C[C@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CN1CCCC1 ZINC001012650951 656133168 /nfs/dbraw/zinc/13/31/68/656133168.db2.gz YHUWLFKKBUMZAC-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000985577400 656133273 /nfs/dbraw/zinc/13/32/73/656133273.db2.gz ODBHCQDFSZAKNH-GXSJLCMTSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000985584857 656133419 /nfs/dbraw/zinc/13/34/19/656133419.db2.gz JJCVZZMVYBDAMR-MRVPVSSYSA-N 0 3 295.347 -1.380 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)[C@H]1CCNC1=O ZINC001029823409 656133460 /nfs/dbraw/zinc/13/34/60/656133460.db2.gz SWWJYLLGLXLHLQ-IUCAKERBSA-N 0 3 268.317 -1.860 20 0 CAADHN CN([C@H]1CCNC1=O)C1CCN(C(=O)C(N)=O)CC1 ZINC000985614103 656133517 /nfs/dbraw/zinc/13/35/17/656133517.db2.gz SVEQPWYARIWKIC-VIFPVBQESA-N 0 3 268.317 -1.717 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001029823092 656133541 /nfs/dbraw/zinc/13/35/41/656133541.db2.gz PTELURGHPOFCKO-IUCAKERBSA-N 0 3 296.327 -1.943 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985612807 656133767 /nfs/dbraw/zinc/13/37/67/656133767.db2.gz JZHUNDSWSCLCEY-SSDOTTSWSA-N 0 3 256.306 -1.732 20 0 CAADHN CN(C[C@H]1CCN(C(=O)C(N)=O)C1)[C@H]1CCCN(C)C1=O ZINC001029823123 656133777 /nfs/dbraw/zinc/13/37/77/656133777.db2.gz QIFFHDKQWKWVFC-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985609163 656133918 /nfs/dbraw/zinc/13/39/18/656133918.db2.gz XKJMRTHPTRLJJE-WCBMZHEXSA-N 0 3 297.359 -1.536 20 0 CAADHN CN(C[C@H]1CCN(C(=O)C(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001029823093 656133942 /nfs/dbraw/zinc/13/39/42/656133942.db2.gz PTELURGHPOFCKO-RKDXNWHRSA-N 0 3 296.327 -1.943 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000985584858 656133971 /nfs/dbraw/zinc/13/39/71/656133971.db2.gz JJCVZZMVYBDAMR-QMMMGPOBSA-N 0 3 295.347 -1.380 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000985646968 656134338 /nfs/dbraw/zinc/13/43/38/656134338.db2.gz JDYXEUQYIVFLDJ-GDPRMGEGSA-N 0 3 296.371 -1.096 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1=COCCO1 ZINC000985919617 656135060 /nfs/dbraw/zinc/13/50/60/656135060.db2.gz IAIJFWMVTVAOEX-IUCAKERBSA-N 0 3 269.301 -1.061 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cc[n+]([O-])cc1 ZINC000985921124 656135098 /nfs/dbraw/zinc/13/50/98/656135098.db2.gz LKFTUAIZKSNVII-MWLCHTKSSA-N 0 3 278.312 -1.002 20 0 CAADHN CCC(=O)N1CC[C@H](NCC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000985852024 656135158 /nfs/dbraw/zinc/13/51/58/656135158.db2.gz ZYEWTGNRFQHNHU-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC000985931646 656135161 /nfs/dbraw/zinc/13/51/61/656135161.db2.gz OGOMIJFXAMBFNP-JGVFFNPUSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1cccn1 ZINC000985987548 656135266 /nfs/dbraw/zinc/13/52/66/656135266.db2.gz WBSABRJMBQQTNW-VHSXEESVSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC000985931650 656135297 /nfs/dbraw/zinc/13/52/97/656135297.db2.gz OGOMIJFXAMBFNP-SFYZADRCSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cc[n+]([O-])cc1 ZINC000985921119 656135342 /nfs/dbraw/zinc/13/53/42/656135342.db2.gz LKFTUAIZKSNVII-GXSJLCMTSA-N 0 3 278.312 -1.002 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1cnnn1 ZINC000985949329 656135365 /nfs/dbraw/zinc/13/53/65/656135365.db2.gz XJKHRTQYEHFANO-JGVFFNPUSA-N 0 3 267.293 -2.263 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC000985931653 656135391 /nfs/dbraw/zinc/13/53/91/656135391.db2.gz OGOMIJFXAMBFNP-YUMQZZPRSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CC(N)=O ZINC000986111904 656135650 /nfs/dbraw/zinc/13/56/50/656135650.db2.gz NIGIWZHCFCSMDI-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN Cc1c(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H]2C)nnn1C ZINC000986102994 656135730 /nfs/dbraw/zinc/13/57/30/656135730.db2.gz JEVWPECXTQZUNX-IONNQARKSA-N 0 3 280.332 -1.199 20 0 CAADHN Cc1c(C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)nnn1C ZINC000986102991 656135874 /nfs/dbraw/zinc/13/58/74/656135874.db2.gz JEVWPECXTQZUNX-CBAPKCEASA-N 0 3 280.332 -1.199 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@@H](NCC(N)=O)[C@H]2C)C1 ZINC000986207021 656136137 /nfs/dbraw/zinc/13/61/37/656136137.db2.gz LOVVUQPYYPQEOD-LDYMZIIASA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCn1ccnn1 ZINC000986209043 656136233 /nfs/dbraw/zinc/13/62/33/656136233.db2.gz QTDYRXYYXZTARD-ZJUUUORDSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1ncnn1 ZINC000986274135 656136289 /nfs/dbraw/zinc/13/62/89/656136289.db2.gz AEJHKOKSJZVFOU-SFYZADRCSA-N 0 3 267.293 -2.263 20 0 CAADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000986293807 656136294 /nfs/dbraw/zinc/13/62/94/656136294.db2.gz QSWPMPDGVHDSCC-IUCAKERBSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1ncn(C)n1 ZINC000986254005 656136304 /nfs/dbraw/zinc/13/63/04/656136304.db2.gz VVEWWMAKVFIRFK-YUMQZZPRSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1ncnn1 ZINC000986274131 656136308 /nfs/dbraw/zinc/13/63/08/656136308.db2.gz AEJHKOKSJZVFOU-HTQZYQBOSA-N 0 3 267.293 -2.263 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](NCC(N)=O)[C@H]2C)[nH]1 ZINC000986249114 656136313 /nfs/dbraw/zinc/13/63/13/656136313.db2.gz CSIINKPGAGCNCE-VXNVDRBHSA-N 0 3 280.332 -1.280 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC000986243191 656136315 /nfs/dbraw/zinc/13/63/15/656136315.db2.gz JMLUJEGRVWIRPF-DTWKUNHWSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cn(C)nn1 ZINC000986236162 656136319 /nfs/dbraw/zinc/13/63/19/656136319.db2.gz VKUPHDMBBRXEHD-SFYZADRCSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H]1[C@H](NCCF)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000986293810 656136331 /nfs/dbraw/zinc/13/63/31/656136331.db2.gz QSWPMPDGVHDSCC-RKDXNWHRSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cc(=O)n(C)o1 ZINC000986222807 656136378 /nfs/dbraw/zinc/13/63/78/656136378.db2.gz YOAGRVMHRIGHAS-SFYZADRCSA-N 0 3 282.300 -1.344 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](NCC(N)=O)[C@@H]2C)o1 ZINC000986251576 656136381 /nfs/dbraw/zinc/13/63/81/656136381.db2.gz NWHCSULBLRMGSH-IONNQARKSA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CN=NC1=O ZINC000986181209 656136385 /nfs/dbraw/zinc/13/63/85/656136385.db2.gz FYGCDDMIALEVFK-JGVFFNPUSA-N 0 3 282.304 -1.952 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cnnn1C ZINC000986239834 656136457 /nfs/dbraw/zinc/13/64/57/656136457.db2.gz FPXGWRBOZITFEK-JGVFFNPUSA-N 0 3 266.305 -1.507 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)o1 ZINC000986251575 656136502 /nfs/dbraw/zinc/13/65/02/656136502.db2.gz NWHCSULBLRMGSH-CBAPKCEASA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cnn(C)c1N ZINC000986182659 656136512 /nfs/dbraw/zinc/13/65/12/656136512.db2.gz ULDALBDJWNHTHC-VXNVDRBHSA-N 0 3 280.332 -1.320 20 0 CAADHN C[C@@H]1[C@@H](NCCF)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000986293802 656136547 /nfs/dbraw/zinc/13/65/47/656136547.db2.gz QSWPMPDGVHDSCC-BDAKNGLRSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1nccn1 ZINC000986330313 656136711 /nfs/dbraw/zinc/13/67/11/656136711.db2.gz CHJVXNYNKJVBFS-BDAKNGLRSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cnc[n-]c1=O ZINC000986406287 656136718 /nfs/dbraw/zinc/13/67/18/656136718.db2.gz DWXTWHXISFLCGQ-IONNQARKSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1ncn(C)c1=O ZINC000986445186 656136738 /nfs/dbraw/zinc/13/67/38/656136738.db2.gz HTKQJERHINIGBW-RKDXNWHRSA-N 0 3 296.331 -2.354 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC000986378744 656136797 /nfs/dbraw/zinc/13/67/97/656136797.db2.gz BUNNLJRAEVUCNU-RKDXNWHRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cc2n(n1)CCO2 ZINC000986360640 656136901 /nfs/dbraw/zinc/13/69/01/656136901.db2.gz YCVKFAMJRXJMHQ-BDAKNGLRSA-N 0 3 293.327 -1.047 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1ncn(C)c1=O ZINC000986445184 656136932 /nfs/dbraw/zinc/13/69/32/656136932.db2.gz HTKQJERHINIGBW-DTWKUNHWSA-N 0 3 296.331 -2.354 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cc2n(n1)CCO2 ZINC000986360643 656136962 /nfs/dbraw/zinc/13/69/62/656136962.db2.gz YCVKFAMJRXJMHQ-RKDXNWHRSA-N 0 3 293.327 -1.047 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1ncn(C)c1=O ZINC000986445183 656136982 /nfs/dbraw/zinc/13/69/82/656136982.db2.gz HTKQJERHINIGBW-BDAKNGLRSA-N 0 3 296.331 -2.354 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CCCNC1=O ZINC000986483407 656137142 /nfs/dbraw/zinc/13/71/42/656137142.db2.gz QIVPFYMREHCGBT-VHSXEESVSA-N 0 3 297.359 -1.534 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1c[nH]c(=O)n1C ZINC000986664084 656137436 /nfs/dbraw/zinc/13/74/36/656137436.db2.gz ODHOVINMZOUIQD-JGVFFNPUSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986670887 656137452 /nfs/dbraw/zinc/13/74/52/656137452.db2.gz MBLVCGFPCSENMZ-NXEZZACHSA-N 0 3 297.359 -2.518 20 0 CAADHN CCn1cc(CC(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)nn1 ZINC000986598750 656137493 /nfs/dbraw/zinc/13/74/93/656137493.db2.gz CGTASQUFZWBFHX-ONGXEEELSA-N 0 3 294.359 -1.095 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986670893 656137499 /nfs/dbraw/zinc/13/74/99/656137499.db2.gz MBLVCGFPCSENMZ-ZJUUUORDSA-N 0 3 297.359 -2.518 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1c[nH]c(=O)n1C ZINC000986664087 656137523 /nfs/dbraw/zinc/13/75/23/656137523.db2.gz ODHOVINMZOUIQD-YUMQZZPRSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986670889 656137553 /nfs/dbraw/zinc/13/75/53/656137553.db2.gz MBLVCGFPCSENMZ-UWVGGRQHSA-N 0 3 297.359 -2.518 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC000986641317 656137560 /nfs/dbraw/zinc/13/75/60/656137560.db2.gz GIJUQETYUXPVKJ-SFYZADRCSA-N 0 3 266.305 -1.209 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1nnn(C)n1 ZINC000986655523 656137594 /nfs/dbraw/zinc/13/75/94/656137594.db2.gz ITNBOWIOLLMOPQ-RQJHMYQMSA-N 0 3 267.293 -2.112 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000986674827 656137639 /nfs/dbraw/zinc/13/76/39/656137639.db2.gz GOYRVSJFHUUGCF-DSPMHBFJSA-N 0 3 267.329 -1.057 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)C(N)=O ZINC000986780563 656138040 /nfs/dbraw/zinc/13/80/40/656138040.db2.gz PQKUGLICYBPQNC-RKDXNWHRSA-N 0 3 268.317 -1.717 20 0 CAADHN C[C@@H]1[C@H](NCc2cncn2C)CCN1C(=O)C(N)=O ZINC000986781031 656138129 /nfs/dbraw/zinc/13/81/29/656138129.db2.gz QLMRRXOZHMJVME-PSASIEDQSA-N 0 3 265.317 -1.016 20 0 CAADHN C[C@@H]1[C@H](NCc2cnn(C)c2)CCN1C(=O)C(N)=O ZINC000986774729 656138164 /nfs/dbraw/zinc/13/81/64/656138164.db2.gz CFIRWEXNELAUDV-PSASIEDQSA-N 0 3 265.317 -1.016 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)C(N)=O ZINC000986780025 656138205 /nfs/dbraw/zinc/13/82/05/656138205.db2.gz OIAGZBRLZKNARB-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CC1CCN(C(=O)C(N)=O)CC1)[C@H]1CCNC1=O ZINC001029989845 656138553 /nfs/dbraw/zinc/13/85/53/656138553.db2.gz IYNAORZTNMEYAT-JTQLQIEISA-N 0 3 282.344 -1.469 20 0 CAADHN CN(CC1CCN(C(=O)C(N)=O)CC1)[C@H]1CCN(C)C1=O ZINC001029991910 656138613 /nfs/dbraw/zinc/13/86/13/656138613.db2.gz ZKCQACHOYIJBPO-NSHDSACASA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)N2CCOCC2)CCN1C(=O)C(N)=O ZINC000986783314 656138631 /nfs/dbraw/zinc/13/86/31/656138631.db2.gz WAFLPUUVGLVKQF-NXEZZACHSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@H]1[C@H](NCC(=O)N2CCOCC2)CCN1C(=O)C(N)=O ZINC000986783319 656138733 /nfs/dbraw/zinc/13/87/33/656138733.db2.gz WAFLPUUVGLVKQF-VHSXEESVSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC000986856222 656138773 /nfs/dbraw/zinc/13/87/73/656138773.db2.gz QZOLEVUOFYLJMT-YUMQZZPRSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cnn(C)n1 ZINC000987168603 656139556 /nfs/dbraw/zinc/13/95/56/656139556.db2.gz NPFLFGQKBIWUIL-HTQZYQBOSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cnn(C)n1 ZINC000987168607 656139628 /nfs/dbraw/zinc/13/96/28/656139628.db2.gz NPFLFGQKBIWUIL-SFYZADRCSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cnn(C)n1 ZINC000987168608 656139699 /nfs/dbraw/zinc/13/96/99/656139699.db2.gz NPFLFGQKBIWUIL-YUMQZZPRSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000987275789 656139900 /nfs/dbraw/zinc/13/99/00/656139900.db2.gz SBDNNBFHAXUXAX-VXNVDRBHSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000987275786 656140236 /nfs/dbraw/zinc/14/02/36/656140236.db2.gz SBDNNBFHAXUXAX-APPZFPTMSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1C(=O)CNC1=O ZINC000987481589 656140617 /nfs/dbraw/zinc/14/06/17/656140617.db2.gz JRIYOYSRLJISMR-YUMQZZPRSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1C(=O)CCC1=O ZINC000987497779 656140721 /nfs/dbraw/zinc/14/07/21/656140721.db2.gz RLAGEGGPFDTVFN-BDAKNGLRSA-N 0 3 296.327 -1.800 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC000987520891 656140749 /nfs/dbraw/zinc/14/07/49/656140749.db2.gz UDUDHBQRFSIKFO-CBAPKCEASA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC000987471921 656140760 /nfs/dbraw/zinc/14/07/60/656140760.db2.gz CDKICINSDDXAGS-DTWKUNHWSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1cncn1 ZINC000987470255 656140779 /nfs/dbraw/zinc/14/07/79/656140779.db2.gz DTKUWLXCLZLSPI-IUCAKERBSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1ccccc1=O ZINC000987493588 656140820 /nfs/dbraw/zinc/14/08/20/656140820.db2.gz OYFIDIKVPAIILP-GHMZBOCLSA-N 0 3 292.339 -1.087 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1ccccc1=O ZINC000987493591 656140840 /nfs/dbraw/zinc/14/08/40/656140840.db2.gz OYFIDIKVPAIILP-WDEREUQCSA-N 0 3 292.339 -1.087 20 0 CAADHN COCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC000987655402 656141110 /nfs/dbraw/zinc/14/11/10/656141110.db2.gz LGCUXSWVOVCPRU-IUCAKERBSA-N 0 3 283.332 -1.166 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1ccnc1 ZINC000987606211 656141130 /nfs/dbraw/zinc/14/11/30/656141130.db2.gz UHSGIRBDXGKDHX-NXEZZACHSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCc1cn(C)nn1 ZINC000987615146 656141340 /nfs/dbraw/zinc/14/13/40/656141340.db2.gz WMGBKXJJEOQOJD-GXSJLCMTSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1ccnc1 ZINC000987606214 656141405 /nfs/dbraw/zinc/14/14/05/656141405.db2.gz UHSGIRBDXGKDHX-ZJUUUORDSA-N 0 3 265.317 -1.053 20 0 CAADHN COCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC000987655395 656141415 /nfs/dbraw/zinc/14/14/15/656141415.db2.gz LGCUXSWVOVCPRU-BDAKNGLRSA-N 0 3 283.332 -1.166 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cn(C)c(=O)n1C ZINC000987582599 656141448 /nfs/dbraw/zinc/14/14/48/656141448.db2.gz ZBDYXIJAYKRKPU-RKDXNWHRSA-N 0 3 295.343 -1.598 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CCCC1=O ZINC000987982155 656141776 /nfs/dbraw/zinc/14/17/76/656141776.db2.gz IRKZUSDKPICOPP-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)C1=COCCO1 ZINC000987931432 656141780 /nfs/dbraw/zinc/14/17/80/656141780.db2.gz VNAUHIGUGSSBQT-DTWKUNHWSA-N 0 3 269.301 -1.061 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1cccn1 ZINC000988075563 656141964 /nfs/dbraw/zinc/14/19/64/656141964.db2.gz FSBXHKCSJJNCNC-UWVGGRQHSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cc[n+]([O-])cc1 ZINC000987923979 656141971 /nfs/dbraw/zinc/14/19/71/656141971.db2.gz AUYHIUVNSSRLGH-MWLCHTKSSA-N 0 3 278.312 -1.002 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1cnnn1 ZINC000987999293 656142000 /nfs/dbraw/zinc/14/20/00/656142000.db2.gz DSCJJBKNDDRGGH-YUMQZZPRSA-N 0 3 267.293 -2.263 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCn1cncn1 ZINC000988149954 656142345 /nfs/dbraw/zinc/14/23/45/656142345.db2.gz YGKFUUHVPZHERV-VHSXEESVSA-N 0 3 280.332 -1.268 20 0 CAADHN CN(C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)[C@H]1CCCN1C ZINC000988287903 656142863 /nfs/dbraw/zinc/14/28/63/656142863.db2.gz UYXGCJJSLWDDEV-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CS(C)(=O)=O ZINC000988279360 656142919 /nfs/dbraw/zinc/14/29/19/656142919.db2.gz JRCXJXIOPONHDX-YUMQZZPRSA-N 0 3 277.346 -1.905 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CS(C)(=O)=O ZINC000988279356 656142975 /nfs/dbraw/zinc/14/29/75/656142975.db2.gz JRCXJXIOPONHDX-JGVFFNPUSA-N 0 3 277.346 -1.905 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1nccnc1N ZINC000988394475 656143123 /nfs/dbraw/zinc/14/31/23/656143123.db2.gz LTPKNZIBZAUWMW-SFYZADRCSA-N 0 3 278.316 -1.263 20 0 CAADHN C[C@@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)CC(N)=O ZINC000988435466 656143608 /nfs/dbraw/zinc/14/36/08/656143608.db2.gz SOUUTZMQTKNYAX-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN COC(=O)[C@H]1COCCN1S(=O)(=O)N1CCNCC1 ZINC000163459388 656143928 /nfs/dbraw/zinc/14/39/28/656143928.db2.gz PXPKJKJTHGSACK-SECBINFHSA-N 0 3 293.345 -1.990 20 0 CAADHN CCN(CCO)CCNC(=O)N[C@@H]1COC(=O)C1 ZINC000923751191 656144058 /nfs/dbraw/zinc/14/40/58/656144058.db2.gz WKVDDYQZHHAPPW-VIFPVBQESA-N 0 3 259.306 -1.085 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CN=NC1=O ZINC000988669904 656144528 /nfs/dbraw/zinc/14/45/28/656144528.db2.gz ZIPOVUCRPBBKIY-HTQZYQBOSA-N 0 3 282.304 -1.952 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CN=NC1=O ZINC000988669913 656144683 /nfs/dbraw/zinc/14/46/83/656144683.db2.gz ZIPOVUCRPBBKIY-SFYZADRCSA-N 0 3 282.304 -1.952 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cnn(C)c1N ZINC000988675921 656144814 /nfs/dbraw/zinc/14/48/14/656144814.db2.gz CGSNAFIJWHFJCZ-HTQZYQBOSA-N 0 3 280.332 -1.320 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cc(=O)n(C)o1 ZINC000988717366 656145313 /nfs/dbraw/zinc/14/53/13/656145313.db2.gz FJJTXZYKTOAYOY-YUMQZZPRSA-N 0 3 282.300 -1.344 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCn1ccnn1 ZINC000988714410 656145348 /nfs/dbraw/zinc/14/53/48/656145348.db2.gz UYYGMGISXPYJDJ-NXEZZACHSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCn1ccnn1 ZINC000988714422 656145356 /nfs/dbraw/zinc/14/53/56/656145356.db2.gz UYYGMGISXPYJDJ-ZJUUUORDSA-N 0 3 280.332 -1.268 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@@H](NCC(N)=O)C[C@@H]2C)C1 ZINC000988718031 656145413 /nfs/dbraw/zinc/14/54/13/656145413.db2.gz HSEQQBYLXFDJCZ-KWQFWETISA-N 0 3 282.344 -1.471 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@H](NCC(N)=O)C[C@@H]2C)C1 ZINC000988718025 656145495 /nfs/dbraw/zinc/14/54/95/656145495.db2.gz HSEQQBYLXFDJCZ-GZMMTYOYSA-N 0 3 282.344 -1.471 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@@H](NCC(N)=O)C[C@@H]2C)o1 ZINC000988778281 656146124 /nfs/dbraw/zinc/14/61/24/656146124.db2.gz PIZFNEKATNSZRL-CBAPKCEASA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cnnn1C ZINC000988765064 656146141 /nfs/dbraw/zinc/14/61/41/656146141.db2.gz NEANNTDJERFHRM-JGVFFNPUSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1ncnn1 ZINC000988837548 656146481 /nfs/dbraw/zinc/14/64/81/656146481.db2.gz KIQOVACJOFGKNG-YUMQZZPRSA-N 0 3 267.293 -2.263 20 0 CAADHN CCn1ncc(C(=O)N2C[C@H](NCC(N)=O)C[C@@H]2C)n1 ZINC000988779529 656146529 /nfs/dbraw/zinc/14/65/29/656146529.db2.gz DOOSBAGWRWHPGJ-DTWKUNHWSA-N 0 3 280.332 -1.024 20 0 CAADHN CCn1nncc1C(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC000988783814 656146800 /nfs/dbraw/zinc/14/68/00/656146800.db2.gz RYTFTFVMZGVPLU-DTWKUNHWSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cc(=O)n(C)cn1 ZINC000988984486 656146999 /nfs/dbraw/zinc/14/69/99/656146999.db2.gz GVMOAZDVPAIGIH-IUCAKERBSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cc2n(n1)CCO2 ZINC000988957027 656147122 /nfs/dbraw/zinc/14/71/22/656147122.db2.gz VUYNKHIPDVNZPW-BDAKNGLRSA-N 0 3 293.327 -1.047 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CCOCC1=O ZINC000988956451 656147237 /nfs/dbraw/zinc/14/72/37/656147237.db2.gz QLZSMVAZKWZMON-ZJUUUORDSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CCOCC1=O ZINC000988956448 656147280 /nfs/dbraw/zinc/14/72/80/656147280.db2.gz QLZSMVAZKWZMON-NXEZZACHSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cn[nH]c(=O)c1 ZINC000988996451 656147348 /nfs/dbraw/zinc/14/73/48/656147348.db2.gz OPQFWSNOIGKIEO-APPZFPTMSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cn(C)c(=O)cn1 ZINC000989222396 656147645 /nfs/dbraw/zinc/14/76/45/656147645.db2.gz ZJHWITIQJUSJQT-RKDXNWHRSA-N 0 3 293.327 -1.542 20 0 CAADHN CCOC(=O)[C@H]1NC(=O)N(C2CCN(CCO)CC2)C1=O ZINC000925303656 656147806 /nfs/dbraw/zinc/14/78/06/656147806.db2.gz PMZCCVAPWWSPTJ-JTQLQIEISA-N 0 3 299.327 -1.073 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC000989190119 656147875 /nfs/dbraw/zinc/14/78/75/656147875.db2.gz BSLVBVJSRGNYDS-BDAKNGLRSA-N 0 3 293.327 -1.148 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cn[nH]n1 ZINC000989094488 656147911 /nfs/dbraw/zinc/14/79/11/656147911.db2.gz OMVGVBWHOPIGNR-RQJHMYQMSA-N 0 3 252.278 -1.517 20 0 CAADHN CCn1cc(CC(=O)N2C[C@H](NCC(N)=O)C[C@@H]2C)nn1 ZINC000989221434 656147924 /nfs/dbraw/zinc/14/79/24/656147924.db2.gz JZMXFRRLPXTUEX-VHSXEESVSA-N 0 3 294.359 -1.095 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(C[C@@H]2CN(C)CCO2)C1=O ZINC000925300283 656147949 /nfs/dbraw/zinc/14/79/49/656147949.db2.gz RKSHWLHGBMIFKW-VHSXEESVSA-N 0 3 270.333 -1.201 20 0 CAADHN Cc1n[nH]nc1C(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC000989275729 656148160 /nfs/dbraw/zinc/14/81/60/656148160.db2.gz QCJXQUCXYDNWDT-XPUUQOCRSA-N 0 3 266.305 -1.209 20 0 CAADHN C[C@H]1C[C@H](NCCF)CN1C(=O)CN1CCNC(=O)C1 ZINC000989295515 656148167 /nfs/dbraw/zinc/14/81/67/656148167.db2.gz PWMJSPSNAWFXQZ-QWRGUYRKSA-N 0 3 286.351 -1.033 20 0 CAADHN Cc1n[nH]nc1C(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC000989275727 656148273 /nfs/dbraw/zinc/14/82/73/656148273.db2.gz QCJXQUCXYDNWDT-POYBYMJQSA-N 0 3 266.305 -1.209 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1c[nH]c(=O)n1C ZINC000989291659 656148278 /nfs/dbraw/zinc/14/82/78/656148278.db2.gz QUDIWMWVPBSWAT-SFYZADRCSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CCNC(=O)C1 ZINC000989296217 656148333 /nfs/dbraw/zinc/14/83/33/656148333.db2.gz SIHMMMQESUDXQD-UWVGGRQHSA-N 0 3 297.359 -2.518 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1c[nH]c(=O)cn1 ZINC000989374363 656148361 /nfs/dbraw/zinc/14/83/61/656148361.db2.gz MKLBSQLNXOUMHD-HTQZYQBOSA-N 0 3 279.300 -1.552 20 0 CAADHN C[C@H]1C[C@@H](NCCF)CN1C(=O)CN1CCNC(=O)C1 ZINC000989295516 656148366 /nfs/dbraw/zinc/14/83/66/656148366.db2.gz PWMJSPSNAWFXQZ-WDEREUQCSA-N 0 3 286.351 -1.033 20 0 CAADHN C[C@@H]1C[C@H](NCCF)CN1C(=O)CN1CCNC(=O)C1 ZINC000989295514 656148392 /nfs/dbraw/zinc/14/83/92/656148392.db2.gz PWMJSPSNAWFXQZ-MNOVXSKESA-N 0 3 286.351 -1.033 20 0 CAADHN Cc1n[nH]nc1C(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC000989275728 656148404 /nfs/dbraw/zinc/14/84/04/656148404.db2.gz QCJXQUCXYDNWDT-SVRRBLITSA-N 0 3 266.305 -1.209 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)COc1cnn(C)c1 ZINC000989357411 656148445 /nfs/dbraw/zinc/14/84/45/656148445.db2.gz OFLCIGXALVQCCJ-UWVGGRQHSA-N 0 3 295.343 -1.137 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000989311157 656148466 /nfs/dbraw/zinc/14/84/66/656148466.db2.gz CWEYLBXLNZTVQJ-OFKSJOQMSA-N 0 3 267.329 -1.057 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1nnn(C)n1 ZINC000989305500 656148488 /nfs/dbraw/zinc/14/84/88/656148488.db2.gz DIGKEWGXNLQJKP-RQJHMYQMSA-N 0 3 267.293 -2.112 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)COc1cnn(C)c1 ZINC000989357415 656148551 /nfs/dbraw/zinc/14/85/51/656148551.db2.gz OFLCIGXALVQCCJ-ZJUUUORDSA-N 0 3 295.343 -1.137 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CCNC(=O)C1 ZINC000989296216 656148563 /nfs/dbraw/zinc/14/85/63/656148563.db2.gz SIHMMMQESUDXQD-NXEZZACHSA-N 0 3 297.359 -2.518 20 0 CAADHN C[C@@H]1[C@H](NC(=O)N2CCO[C@@H](C(N)=O)C2)CCN1C ZINC000925318370 656149518 /nfs/dbraw/zinc/14/95/18/656149518.db2.gz TZWXUGNLJZSHMX-OPRDCNLKSA-N 0 3 270.333 -1.025 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC000989403243 656149547 /nfs/dbraw/zinc/14/95/47/656149547.db2.gz TZHPMYABOSQOFF-SFYZADRCSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC000989403241 656149593 /nfs/dbraw/zinc/14/95/93/656149593.db2.gz TZHPMYABOSQOFF-HTQZYQBOSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)N2CCO[C@@H](C(N)=O)C2)CCN1C ZINC000925318368 656149700 /nfs/dbraw/zinc/14/97/00/656149700.db2.gz TZWXUGNLJZSHMX-KXUCPTDWSA-N 0 3 270.333 -1.025 20 0 CAADHN C[C@@H]1[C@H](NC(=O)N2CCO[C@H](C(N)=O)C2)CCN1C ZINC000925318365 656149739 /nfs/dbraw/zinc/14/97/39/656149739.db2.gz TZWXUGNLJZSHMX-BBBLOLIVSA-N 0 3 270.333 -1.025 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCN1CCOCC1 ZINC000989559650 656149887 /nfs/dbraw/zinc/14/98/87/656149887.db2.gz UAHXDIXNFJDRIX-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@H](C(N)=O)N1CCCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000989451937 656149898 /nfs/dbraw/zinc/14/98/98/656149898.db2.gz OKZZNZGQCVDMJV-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CC(=O)NC1=O ZINC000989569933 656149922 /nfs/dbraw/zinc/14/99/22/656149922.db2.gz ZARANAVNKUUPJC-JGVFFNPUSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cnn(C)n1 ZINC000989549307 656149992 /nfs/dbraw/zinc/14/99/92/656149992.db2.gz IIPKDXJKRLJULW-SFYZADRCSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H](C(N)=O)N1CCCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000989451938 656150282 /nfs/dbraw/zinc/15/02/82/656150282.db2.gz OKZZNZGQCVDMJV-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC000989457936 656150365 /nfs/dbraw/zinc/15/03/65/656150365.db2.gz JYDIJCOLLDETEQ-YUMQZZPRSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cnon1 ZINC000989580089 656150646 /nfs/dbraw/zinc/15/06/46/656150646.db2.gz LDCCUOJCSQFQIU-BQBZGAKWSA-N 0 3 253.262 -1.253 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1nc[nH]n1 ZINC000989573839 656150757 /nfs/dbraw/zinc/15/07/57/656150757.db2.gz VWDUBEZPOOCCTB-RNFRBKRXSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@@H]1CCCN1C ZINC000989587643 656151157 /nfs/dbraw/zinc/15/11/57/656151157.db2.gz HMYQKXFGZTXEAH-UTLUCORTSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCn1cnnn1 ZINC000989602751 656151499 /nfs/dbraw/zinc/15/14/99/656151499.db2.gz YBYLTWMQBPLHRA-DTWKUNHWSA-N 0 3 281.320 -1.873 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000989616638 656151556 /nfs/dbraw/zinc/15/15/56/656151556.db2.gz YNYATFGJOROBHU-VXNVDRBHSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000989616637 656151927 /nfs/dbraw/zinc/15/19/27/656151927.db2.gz YNYATFGJOROBHU-IONNQARKSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1cncn1 ZINC000989764241 656152096 /nfs/dbraw/zinc/15/20/96/656152096.db2.gz ZDMRPYHESYQXKP-BDAKNGLRSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1C(=O)CNC1=O ZINC000989765681 656152142 /nfs/dbraw/zinc/15/21/42/656152142.db2.gz JIIXRVQNBJAHDX-YUMQZZPRSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ccc(=O)n(C)n1 ZINC000989759385 656152431 /nfs/dbraw/zinc/15/24/31/656152431.db2.gz LJSSSBODMGHCQP-DTWKUNHWSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC000989803851 656152626 /nfs/dbraw/zinc/15/26/26/656152626.db2.gz YTZLWFLTAABDFC-VXNVDRBHSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCc1cn(C)nn1 ZINC000989861180 656152668 /nfs/dbraw/zinc/15/26/68/656152668.db2.gz UYTBJYULRZDHTO-GXSJLCMTSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cn(C)c(=O)n1C ZINC000989835950 656152706 /nfs/dbraw/zinc/15/27/06/656152706.db2.gz YJMVCMOVCDYQEA-DTWKUNHWSA-N 0 3 295.343 -1.598 20 0 CAADHN C[C@@H]1C[C@H](NCCF)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC000989830892 656152739 /nfs/dbraw/zinc/15/27/39/656152739.db2.gz CSSLRSYNRVTPIP-BDAKNGLRSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@@H]1C[C@@H](NCCF)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC000989830895 656152810 /nfs/dbraw/zinc/15/28/10/656152810.db2.gz CSSLRSYNRVTPIP-RKDXNWHRSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1C(=O)CCC1=O ZINC000989773195 656152823 /nfs/dbraw/zinc/15/28/23/656152823.db2.gz PQFPWARBVSOXOZ-BDAKNGLRSA-N 0 3 296.327 -1.800 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1C(=O)CCC1=O ZINC000989773197 656152857 /nfs/dbraw/zinc/15/28/57/656152857.db2.gz PQFPWARBVSOXOZ-IUCAKERBSA-N 0 3 296.327 -1.800 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCc1cn(C)nn1 ZINC000989861181 656152940 /nfs/dbraw/zinc/15/29/40/656152940.db2.gz UYTBJYULRZDHTO-KOLCDFICSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC000989803849 656152965 /nfs/dbraw/zinc/15/29/65/656152965.db2.gz YTZLWFLTAABDFC-CBAPKCEASA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cn(C)c(=O)n1C ZINC000989835952 656153000 /nfs/dbraw/zinc/15/30/00/656153000.db2.gz YJMVCMOVCDYQEA-RKDXNWHRSA-N 0 3 295.343 -1.598 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989806892 656153068 /nfs/dbraw/zinc/15/30/68/656153068.db2.gz OXBWCAJNHLZOFU-WDEREUQCSA-N 0 3 297.355 -1.046 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CCN2CCNC(=O)C2)C1=O ZINC000925325968 656153435 /nfs/dbraw/zinc/15/34/35/656153435.db2.gz ORCUMGIPZJKNQH-VIFPVBQESA-N 0 3 283.332 -2.100 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990182054 656156031 /nfs/dbraw/zinc/15/60/31/656156031.db2.gz XYIUVQARRONGOV-SNVBAGLBSA-N 0 3 293.331 -1.906 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2COCCO2)C1 ZINC000990277124 656157657 /nfs/dbraw/zinc/15/76/57/656157657.db2.gz TZSGMDRMYCWYFV-VXGBXAGGSA-N 0 3 297.355 -1.177 20 0 CAADHN O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC000990300909 656158056 /nfs/dbraw/zinc/15/80/56/656158056.db2.gz UJQFUKFPXRWDAS-LBPRGKRZSA-N 0 3 297.355 -1.175 20 0 CAADHN O=C1NCCCC[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000040860850 656160510 /nfs/dbraw/zinc/16/05/10/656160510.db2.gz DQUAZCYNJILGRN-VIFPVBQESA-N 0 3 276.362 -1.605 20 0 CAADHN CCNC(=O)[C@@H](C)NS(=O)(=O)N1CCNCC1 ZINC000040861934 656160540 /nfs/dbraw/zinc/16/05/40/656160540.db2.gz PBENMRRFWLQASF-MRVPVSSYSA-N 0 3 264.351 -1.749 20 0 CAADHN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)N1CCNCC1 ZINC000040860813 656160711 /nfs/dbraw/zinc/16/07/11/656160711.db2.gz ATVYTGLZZUXNJJ-NXEZZACHSA-N 0 3 290.389 -1.278 20 0 CAADHN CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)N1CCNCC1 ZINC000040861826 656160772 /nfs/dbraw/zinc/16/07/72/656160772.db2.gz REVGSULQRSSKQU-JTQLQIEISA-N 0 3 290.389 -1.311 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000990485576 656161120 /nfs/dbraw/zinc/16/11/20/656161120.db2.gz HEENRMFOONTWEA-GHMZBOCLSA-N 0 3 294.355 -1.314 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1)N(C)C ZINC000990487796 656161254 /nfs/dbraw/zinc/16/12/54/656161254.db2.gz YNTQPZRNXJXBEW-GHMZBOCLSA-N 0 3 296.371 -1.068 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1)N(C)C ZINC000990487799 656161362 /nfs/dbraw/zinc/16/13/62/656161362.db2.gz YNTQPZRNXJXBEW-MNOVXSKESA-N 0 3 296.371 -1.068 20 0 CAADHN NC(=O)C[NH2+]C1CCN(C(=O)CCc2nnc[n-]2)CC1 ZINC000990827487 656164577 /nfs/dbraw/zinc/16/45/77/656164577.db2.gz QPJBQPMVGYZHLW-UHFFFAOYSA-N 0 3 280.332 -1.197 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000900442248 656167171 /nfs/dbraw/zinc/16/71/71/656167171.db2.gz OSFJKTQMWKBQIA-NWDGAFQWSA-N 0 3 296.371 -1.602 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1=O ZINC000900439397 656167486 /nfs/dbraw/zinc/16/74/86/656167486.db2.gz HIVIZHLURCNMQA-GRYCIOLGSA-N 0 3 297.355 -1.177 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC000900578817 656168967 /nfs/dbraw/zinc/16/89/67/656168967.db2.gz NYTBGJXSIRLXEY-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN COCCN(CCN(C)C)C(=O)CN1CCNC(=O)C1 ZINC000900587084 656169203 /nfs/dbraw/zinc/16/92/03/656169203.db2.gz KAJDJDAGTJSYPS-UHFFFAOYSA-N 0 3 286.376 -1.545 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC000900578816 656169212 /nfs/dbraw/zinc/16/92/12/656169212.db2.gz NYTBGJXSIRLXEY-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CCN1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000900631989 656169424 /nfs/dbraw/zinc/16/94/24/656169424.db2.gz DGUNLOMIXIXEKY-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2C(N)=O)C1 ZINC000900623274 656169719 /nfs/dbraw/zinc/16/97/19/656169719.db2.gz KJJWQHPAWLOJHI-KXUCPTDWSA-N 0 3 255.318 -1.055 20 0 CAADHN CN(C(=O)CN1CCNC(=O)C1)[C@H]1CN2CCC1CC2 ZINC000900663255 656170086 /nfs/dbraw/zinc/17/00/86/656170086.db2.gz UEPWKAMRUFCSEY-LBPRGKRZSA-N 0 3 280.372 -1.029 20 0 CAADHN CCN1CCN(CCNC(=O)[C@H]2COC(=O)N2)CC1 ZINC000900685347 656170738 /nfs/dbraw/zinc/17/07/38/656170738.db2.gz BOAIPLMSINPOEZ-SNVBAGLBSA-N 0 3 270.333 -1.152 20 0 CAADHN CCN1CCN(CCNC(=O)CN2CCNC(=O)C2)CC1 ZINC000900686263 656170910 /nfs/dbraw/zinc/17/09/10/656170910.db2.gz LVPFWLWQUUTQHF-UHFFFAOYSA-N 0 3 297.403 -1.828 20 0 CAADHN CCN1CCN(CCNC(=O)[C@@H]2OCCN(C)C2=O)CC1 ZINC000900687267 656171117 /nfs/dbraw/zinc/17/11/17/656171117.db2.gz SXCLLCHLQRBCAL-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN CN(C(=O)CN1CCNC(=O)C1)[C@H]1CCCN(C)C1 ZINC000900833471 656171806 /nfs/dbraw/zinc/17/18/06/656171806.db2.gz WWSLEQKMEYLPIC-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CN(C)CCN(C)C(=O)C1CN(S(C)(=O)=O)C1 ZINC000900927768 656173272 /nfs/dbraw/zinc/17/32/72/656173272.db2.gz RVZRGZSSWOSTAS-UHFFFAOYSA-N 0 3 263.363 -1.102 20 0 CAADHN CN(C)CCn1nccc1C(=O)NCCn1cnnn1 ZINC000901051112 656175654 /nfs/dbraw/zinc/17/56/54/656175654.db2.gz IGVPMIYIGZNCOV-UHFFFAOYSA-N 0 3 278.320 -1.139 20 0 CAADHN O=C(CNC1CC1)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000901092970 656176339 /nfs/dbraw/zinc/17/63/39/656176339.db2.gz AOAUNCYVAGXPJD-UHFFFAOYSA-N 0 3 262.335 -1.995 20 0 CAADHN CN(C)CCn1nccc1C(=O)N[C@@H]1CCC(=O)NC1=O ZINC000901147383 656178558 /nfs/dbraw/zinc/17/85/58/656178558.db2.gz GQHYWKCASFMZQN-SECBINFHSA-N 0 3 293.327 -1.020 20 0 CAADHN CC[C@@H]1C(=O)NCCCN1S(=O)(=O)N1CCNCC1 ZINC000903605039 656185399 /nfs/dbraw/zinc/18/53/99/656185399.db2.gz UMAHGWLLALJGJQ-SNVBAGLBSA-N 0 3 290.389 -1.263 20 0 CAADHN COc1nn(C)cc1CNS(=O)(=O)C1CNC1 ZINC000903559085 656185538 /nfs/dbraw/zinc/18/55/38/656185538.db2.gz AJWRJEKUJBXSSQ-UHFFFAOYSA-N 0 3 260.319 -1.180 20 0 CAADHN O=C(CCN1CCOC[C@H]1CCO)N1CCNCC1 ZINC000903830271 656187350 /nfs/dbraw/zinc/18/73/50/656187350.db2.gz XTYASYJSPBTSHJ-GFCCVEGCSA-N 0 3 271.361 -1.109 20 0 CAADHN CNS(=O)(=O)CCNC[C@@H](O)C1(O)CCC1 ZINC000905230318 656189969 /nfs/dbraw/zinc/18/99/69/656189969.db2.gz PDLCUMIZOMRMRL-MRVPVSSYSA-N 0 3 252.336 -1.599 20 0 CAADHN CS(=O)(=O)NCCNC[C@@H](O)C1(O)CCCC1 ZINC000905022041 656190073 /nfs/dbraw/zinc/19/00/73/656190073.db2.gz CZINFGPIIOGRQQ-SECBINFHSA-N 0 3 266.363 -1.209 20 0 CAADHN CS(=O)(=O)NCCNC[C@H](O)C1(O)CCC1 ZINC000905023552 656190215 /nfs/dbraw/zinc/19/02/15/656190215.db2.gz IWZSUAURVWWNKL-QMMMGPOBSA-N 0 3 252.336 -1.599 20 0 CAADHN COC[C@@H]1CNCCN1C(=O)C(=O)N(C)Cc1cnc[nH]1 ZINC000905022499 656190464 /nfs/dbraw/zinc/19/04/64/656190464.db2.gz RPDAFAXEIQKKFB-NSHDSACASA-N 0 3 295.343 -1.185 20 0 CAADHN CN1C[C@H](NC[C@@H](O)C2(O)CCOCC2)CC1=O ZINC000905086581 656190489 /nfs/dbraw/zinc/19/04/89/656190489.db2.gz DTWHMCJUJMITHL-NXEZZACHSA-N 0 3 258.318 -1.291 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@@H](O)C1(O)CCC1 ZINC000905264469 656190704 /nfs/dbraw/zinc/19/07/04/656190704.db2.gz RRRWQZQUCDIBJF-SECBINFHSA-N 0 3 266.363 -1.257 20 0 CAADHN CN1C(=O)CC[C@@H](NC[C@@H](O)C2(O)CCC2)C1=O ZINC000905291735 656190799 /nfs/dbraw/zinc/19/07/99/656190799.db2.gz RSFDAQDJCLHLQC-RKDXNWHRSA-N 0 3 256.302 -1.001 20 0 CAADHN CN1C(=O)CC[C@@H](NC[C@H](O)C2(O)CCC2)C1=O ZINC000905291732 656190897 /nfs/dbraw/zinc/19/08/97/656190897.db2.gz RSFDAQDJCLHLQC-BDAKNGLRSA-N 0 3 256.302 -1.001 20 0 CAADHN CN1C(=O)CC[C@H](NC[C@@H](O)C2(O)CCC2)C1=O ZINC000905291733 656191055 /nfs/dbraw/zinc/19/10/55/656191055.db2.gz RSFDAQDJCLHLQC-DTWKUNHWSA-N 0 3 256.302 -1.001 20 0 CAADHN O=C1[C@H](NC[C@@H](O)C2(O)CCC2)CCCN1CCO ZINC000905367786 656191494 /nfs/dbraw/zinc/19/14/94/656191494.db2.gz VMUUTDULHXYLJA-GHMZBOCLSA-N 0 3 272.345 -1.165 20 0 CAADHN O=C1[C@@H](NC[C@@H](O)C2(O)CCC2)CCCN1CCO ZINC000905367789 656191661 /nfs/dbraw/zinc/19/16/61/656191661.db2.gz VMUUTDULHXYLJA-WDEREUQCSA-N 0 3 272.345 -1.165 20 0 CAADHN O=C(CO)NCCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000906460263 656192941 /nfs/dbraw/zinc/19/29/41/656192941.db2.gz SFKJASDNUNWMSM-QWRGUYRKSA-N 0 3 285.344 -1.536 20 0 CAADHN O=C(CO)NCCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000906410405 656193042 /nfs/dbraw/zinc/19/30/42/656193042.db2.gz JEWBXJGADJHYLQ-VIFPVBQESA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(CO)NCCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000906410402 656193172 /nfs/dbraw/zinc/19/31/72/656193172.db2.gz JEWBXJGADJHYLQ-SECBINFHSA-N 0 3 255.318 -1.162 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC000906583297 656193709 /nfs/dbraw/zinc/19/37/09/656193709.db2.gz IAUBRUYPPMZECK-BXKDBHETSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC000906583299 656193839 /nfs/dbraw/zinc/19/38/39/656193839.db2.gz IAUBRUYPPMZECK-JOYOIKCWSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC000906583300 656193892 /nfs/dbraw/zinc/19/38/92/656193892.db2.gz IAUBRUYPPMZECK-SKDRFNHKSA-N 0 3 257.334 -1.059 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)CCNC(=O)CO ZINC000906573430 656193916 /nfs/dbraw/zinc/19/39/16/656193916.db2.gz NXQBSNBBBXEGGP-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN CS[C@H]1CN(C(=O)CCNC(=O)CO)C[C@@H]1N(C)C ZINC000907147016 656195823 /nfs/dbraw/zinc/19/58/23/656195823.db2.gz RGOISPMYRLFXCV-UWVGGRQHSA-N 0 3 289.401 -1.011 20 0 CAADHN CCN(CCO)CCNC(=O)c1cn(C)c(=O)n1C ZINC000907440553 656197758 /nfs/dbraw/zinc/19/77/58/656197758.db2.gz LIKHRDMXLJZPLK-UHFFFAOYSA-N 0 3 270.333 -1.232 20 0 CAADHN CCN(CCO)CCNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000907440908 656198013 /nfs/dbraw/zinc/19/80/13/656198013.db2.gz RSPITAPTXXDPKP-UHFFFAOYSA-N 0 3 293.389 -1.692 20 0 CAADHN CCN(CCO)CCNC(=O)CN1CCNC(=O)C1 ZINC000907440769 656198071 /nfs/dbraw/zinc/19/80/71/656198071.db2.gz QBDRVKYSNJKECP-UHFFFAOYSA-N 0 3 272.349 -2.151 20 0 CAADHN CN1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000908026697 656205302 /nfs/dbraw/zinc/20/53/02/656205302.db2.gz BBPMOYUDHMGFOF-NFAWXSAZSA-N 0 3 296.415 -1.052 20 0 CAADHN CN1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000908026695 656205520 /nfs/dbraw/zinc/20/55/20/656205520.db2.gz BBPMOYUDHMGFOF-GUTXKFCHSA-N 0 3 296.415 -1.052 20 0 CAADHN CN1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000908026696 656205763 /nfs/dbraw/zinc/20/57/63/656205763.db2.gz BBPMOYUDHMGFOF-GZBFAFLISA-N 0 3 296.415 -1.052 20 0 CAADHN CN(C)CCn1nccc1C(=O)N[C@H]1CC(=O)N(C)C1=O ZINC000908053626 656206201 /nfs/dbraw/zinc/20/62/01/656206201.db2.gz QTQDZWLMJYRSBK-VIFPVBQESA-N 0 3 293.327 -1.068 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@@H](CO)CN2CCCCC2)C1=O ZINC000908118642 656206852 /nfs/dbraw/zinc/20/68/52/656206852.db2.gz NXRIJHCWDLQDKF-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN Cn1nncc1C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000991105262 656207987 /nfs/dbraw/zinc/20/79/87/656207987.db2.gz XVEVAXXZBMQHGT-SNVBAGLBSA-N 0 3 292.343 -1.150 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1)N(C)C ZINC000991116988 656209394 /nfs/dbraw/zinc/20/93/94/656209394.db2.gz FTDNBUOHIJQWFM-NXEZZACHSA-N 0 3 298.343 -1.238 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1CCCCS1(=O)=O ZINC000908199083 656210311 /nfs/dbraw/zinc/21/03/11/656210311.db2.gz CFGGWMGNHBDASB-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cccn2nnnc12 ZINC000908200649 656210330 /nfs/dbraw/zinc/21/03/30/656210330.db2.gz LBFFKKVHCBFJCU-MRVPVSSYSA-N 0 3 264.289 -1.223 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@]1(C)C[C@H](O)CN1C ZINC000908200325 656210448 /nfs/dbraw/zinc/21/04/48/656210448.db2.gz IRZHNNHGESSEJF-SCVCMEIPSA-N 0 3 259.350 -1.520 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1CCNC(=O)C1 ZINC000908201821 656210561 /nfs/dbraw/zinc/21/05/61/656210561.db2.gz SGMKAGJRVPPZGK-SECBINFHSA-N 0 3 258.322 -2.543 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CNC(=O)N1CCCC1 ZINC000908201819 656210578 /nfs/dbraw/zinc/21/05/78/656210578.db2.gz SDXYJYZQZFGYAR-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000908200324 656210635 /nfs/dbraw/zinc/21/06/35/656210635.db2.gz IRZHNNHGESSEJF-JFGNBEQYSA-N 0 3 259.350 -1.520 20 0 CAADHN COC[C@](C)(O)C(=O)N[C@H](CO)CN1CCCC1 ZINC000908202191 656210826 /nfs/dbraw/zinc/21/08/26/656210826.db2.gz JAUQBFYKOLTDEB-JQWIXIFHSA-N 0 3 260.334 -1.043 20 0 CAADHN CC(C)(O)[C@@H](O)C(=O)N[C@H](CO)CN1CCCC1 ZINC000908202246 656211122 /nfs/dbraw/zinc/21/11/22/656211122.db2.gz AVIZMUHOSHXZRO-UWVGGRQHSA-N 0 3 260.334 -1.309 20 0 CAADHN O=C(Cn1cncn1)N[C@H](CO)CN1CCCC1 ZINC000908207352 656211162 /nfs/dbraw/zinc/21/11/62/656211162.db2.gz YNQCZYPUDVCOKE-JTQLQIEISA-N 0 3 253.306 -1.149 20 0 CAADHN O=C(Cn1cccnc1=O)N[C@@H](CO)CN1CCCC1 ZINC000908205273 656211191 /nfs/dbraw/zinc/21/11/91/656211191.db2.gz MQMNTYLRVVEJLP-LLVKDONJSA-N 0 3 280.328 -1.184 20 0 CAADHN O=C([C@H]1COC(=O)N1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000908203479 656211408 /nfs/dbraw/zinc/21/14/08/656211408.db2.gz ROQNLKYPFQBDLZ-OPRDCNLKSA-N 0 3 269.301 -1.238 20 0 CAADHN COC(=O)c1ccn(CC(=O)N[C@H](CO)CN(C)C)n1 ZINC000908202428 656211423 /nfs/dbraw/zinc/21/14/23/656211423.db2.gz WAQMCHCGAZUGPK-VIFPVBQESA-N 0 3 284.316 -1.292 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@]1(O)CCOC1 ZINC000908203265 656211501 /nfs/dbraw/zinc/21/15/01/656211501.db2.gz LXNNUTSJRYDMFF-JQWIXIFHSA-N 0 3 258.318 -1.289 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)/C=C/Cn1cncn1 ZINC000908203102 656211546 /nfs/dbraw/zinc/21/15/46/656211546.db2.gz ZGKHRLBJNIIWMH-HMDXOVGESA-N 0 3 253.306 -1.127 20 0 CAADHN CCOC(=O)C[C@@H](O)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908204223 656211559 /nfs/dbraw/zinc/21/15/59/656211559.db2.gz PIPTWVQYVLVYMR-GHMZBOCLSA-N 0 3 288.344 -1.127 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1CN(S(C)(=O)=O)C1 ZINC000908202587 656211632 /nfs/dbraw/zinc/21/16/32/656211632.db2.gz WFHZXHWQBKFVCJ-SECBINFHSA-N 0 3 279.362 -2.084 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@H]2CCCCN2CCO)C1=O ZINC000908541742 656215091 /nfs/dbraw/zinc/21/50/91/656215091.db2.gz VSUXSPLWXUUYQL-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@H]2CCCN(CCCO)C2)C1=O ZINC000908541361 656215112 /nfs/dbraw/zinc/21/51/12/656215112.db2.gz QTDMMBHZXPVXDQ-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC[C@@H]1CCCCN1CCO ZINC000908540921 656215296 /nfs/dbraw/zinc/21/52/96/656215296.db2.gz LSDBVEURMLAFNP-LBPRGKRZSA-N 0 3 298.387 -1.619 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)C1=O ZINC000908541360 656215436 /nfs/dbraw/zinc/21/54/36/656215436.db2.gz QTDMMBHZXPVXDQ-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)Nn2ccnn2)CC1=O ZINC000908835210 656216914 /nfs/dbraw/zinc/21/69/14/656216914.db2.gz LINIOMZTAPVRCS-VIFPVBQESA-N 0 3 266.305 -1.242 20 0 CAADHN O=C(CNC(=O)[C@H]1CC(=O)N1)NCCN1CCCCC1 ZINC000909315124 656219462 /nfs/dbraw/zinc/21/94/62/656219462.db2.gz DWNBYLBXCSZATE-SNVBAGLBSA-N 0 3 282.344 -1.407 20 0 CAADHN O=C(CNC(=O)[C@@]1(O)CCOC1)NCCN1CCCCC1 ZINC000909315262 656219494 /nfs/dbraw/zinc/21/94/94/656219494.db2.gz GMYJRBRPKANGQQ-CQSZACIVSA-N 0 3 299.371 -1.144 20 0 CAADHN Cn1cnc(C(=O)NC2CN(C(=O)CN3CCCC3)C2)n1 ZINC000991183956 656219803 /nfs/dbraw/zinc/21/98/03/656219803.db2.gz BWQYXWKFXRCKQZ-UHFFFAOYSA-N 0 3 292.343 -1.149 20 0 CAADHN O=C(CNC(=O)[C@@H]1COC(=O)N1)NCCN1CCCCC1 ZINC000909312465 656219810 /nfs/dbraw/zinc/21/98/10/656219810.db2.gz JQSPYKKUVDQUPI-JTQLQIEISA-N 0 3 298.343 -1.187 20 0 CAADHN CCN1CCCN(C(=O)[C@H](CO)NC(N)=O)[C@@H](C)C1 ZINC000910284969 656222283 /nfs/dbraw/zinc/22/22/83/656222283.db2.gz WSHHSEDIGCQECO-UWVGGRQHSA-N 0 3 272.349 -1.042 20 0 CAADHN CCN1CCCN(C(=O)[C@@H](CO)NC(N)=O)[C@@H](C)C1 ZINC000910284970 656222343 /nfs/dbraw/zinc/22/23/43/656222343.db2.gz WSHHSEDIGCQECO-VHSXEESVSA-N 0 3 272.349 -1.042 20 0 CAADHN CCN1CCCN(C(=O)[C@@H](CO)NC(N)=O)[C@H](C)C1 ZINC000910284968 656222586 /nfs/dbraw/zinc/22/25/86/656222586.db2.gz WSHHSEDIGCQECO-NXEZZACHSA-N 0 3 272.349 -1.042 20 0 CAADHN O=C(N[C@H]1CCSC1)C(=O)N1CCNCCNCC1 ZINC000910978374 656231082 /nfs/dbraw/zinc/23/10/82/656231082.db2.gz QHVHULRCEBSOIQ-JTQLQIEISA-N 0 3 286.401 -1.371 20 0 CAADHN O=C(NC[C@@H]1CCCCO1)C(=O)N1CCNCCNCC1 ZINC000910973097 656231503 /nfs/dbraw/zinc/23/15/03/656231503.db2.gz PPMKFXLVCSNMMT-LBPRGKRZSA-N 0 3 298.387 -1.307 20 0 CAADHN O=C(N[C@@H]1CCSC1)C(=O)N1CCNCCNCC1 ZINC000910978375 656231511 /nfs/dbraw/zinc/23/15/11/656231511.db2.gz QHVHULRCEBSOIQ-SNVBAGLBSA-N 0 3 286.401 -1.371 20 0 CAADHN C[C@@H]1CC[C@@H](CNC(=O)C(=O)N2CCNCCNCC2)O1 ZINC000911018929 656232312 /nfs/dbraw/zinc/23/23/12/656232312.db2.gz QOGSUSXMMFHCMS-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN CC[C@H](COC)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911088270 656234220 /nfs/dbraw/zinc/23/42/20/656234220.db2.gz MRALMTJGHZCFNR-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N[C@H]1CNOC1 ZINC000911146904 656234914 /nfs/dbraw/zinc/23/49/14/656234914.db2.gz CUCQKUVNVGSFGG-DCAQKATOSA-N 0 3 298.343 -2.015 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@H]1CNOC1 ZINC000911146905 656235230 /nfs/dbraw/zinc/23/52/30/656235230.db2.gz CUCQKUVNVGSFGG-GARJFASQSA-N 0 3 298.343 -2.015 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CNOC1 ZINC000911146906 656235312 /nfs/dbraw/zinc/23/53/12/656235312.db2.gz CUCQKUVNVGSFGG-GMTAPVOTSA-N 0 3 298.343 -2.015 20 0 CAADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911162969 656235649 /nfs/dbraw/zinc/23/56/49/656235649.db2.gz UZIRFBVSDWYTLP-WDEREUQCSA-N 0 3 284.360 -1.003 20 0 CAADHN C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000911162174 656235655 /nfs/dbraw/zinc/23/56/55/656235655.db2.gz QUGSDUWNRVPEIC-WDEREUQCSA-N 0 3 284.360 -1.146 20 0 CAADHN CC1CCN(CCNC(=O)C(=O)N[C@H]2CNOC2)CC1 ZINC000911161262 656235890 /nfs/dbraw/zinc/23/58/90/656235890.db2.gz JTJXBEBRXQKFCE-NSHDSACASA-N 0 3 284.360 -1.146 20 0 CAADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000911162171 656236181 /nfs/dbraw/zinc/23/61/81/656236181.db2.gz QUGSDUWNRVPEIC-GHMZBOCLSA-N 0 3 284.360 -1.146 20 0 CAADHN CSC[C@H](C)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911159305 656236190 /nfs/dbraw/zinc/23/61/90/656236190.db2.gz QOHFKBDHLFERSF-JTQLQIEISA-N 0 3 288.417 -1.125 20 0 CAADHN COCC[C@H](C)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911171822 656236615 /nfs/dbraw/zinc/23/66/15/656236615.db2.gz LRTROAGLZDDDIE-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN COCC[C@@H](C)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911171821 656236753 /nfs/dbraw/zinc/23/67/53/656236753.db2.gz LRTROAGLZDDDIE-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN O=C(NC1CCC1)C(=O)N1CCNCCNCC1 ZINC000911220603 656238197 /nfs/dbraw/zinc/23/81/97/656238197.db2.gz WHZMNYSIYZHZKL-UHFFFAOYSA-N 0 3 254.334 -1.324 20 0 CAADHN NOCCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000911224444 656238789 /nfs/dbraw/zinc/23/87/89/656238789.db2.gz YGEGAVJVCLTCSY-LLVKDONJSA-N 0 3 284.360 -1.017 20 0 CAADHN NOCCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911224446 656238922 /nfs/dbraw/zinc/23/89/22/656238922.db2.gz YGEGAVJVCLTCSY-NSHDSACASA-N 0 3 284.360 -1.017 20 0 CAADHN CCOCCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911257994 656239640 /nfs/dbraw/zinc/23/96/40/656239640.db2.gz CGTRDGYPEFHRTK-UHFFFAOYSA-N 0 3 286.376 -1.449 20 0 CAADHN C[C@@H]1COC[C@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000911309547 656241068 /nfs/dbraw/zinc/24/10/68/656241068.db2.gz FZRBNISQQGKOTP-OPRDCNLKSA-N 0 3 271.317 -1.758 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911464093 656244253 /nfs/dbraw/zinc/24/42/53/656244253.db2.gz ISGGNRGFWKEJJW-SNVBAGLBSA-N 0 3 288.348 -1.957 20 0 CAADHN CN(CCN1CCCCC1)C(=O)C(=O)N[C@H]1CNOC1 ZINC000911465016 656244504 /nfs/dbraw/zinc/24/45/04/656244504.db2.gz YGPZCMYMKUJNPJ-NSHDSACASA-N 0 3 284.360 -1.050 20 0 CAADHN O=C(N[C@@H]1CNOC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000911465797 656244719 /nfs/dbraw/zinc/24/47/19/656244719.db2.gz XTTRNRPXKHLDBV-GHMZBOCLSA-N 0 3 282.344 -1.297 20 0 CAADHN O=C(N[C@@H]1CNOC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000911465798 656245025 /nfs/dbraw/zinc/24/50/25/656245025.db2.gz XTTRNRPXKHLDBV-MNOVXSKESA-N 0 3 282.344 -1.297 20 0 CAADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@H]1CNOC1 ZINC000911468790 656245339 /nfs/dbraw/zinc/24/53/39/656245339.db2.gz HNENXQIIZBNDTM-JTQLQIEISA-N 0 3 272.349 -1.195 20 0 CAADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000911453815 656245787 /nfs/dbraw/zinc/24/57/87/656245787.db2.gz DBNKWPFENCPXDM-NXEZZACHSA-N 0 3 284.360 -1.005 20 0 CAADHN CN1CCN(C(=O)C(=O)N[C@@H]2CNOC2)CCC1(C)C ZINC000911453481 656245936 /nfs/dbraw/zinc/24/59/36/656245936.db2.gz BQKRGPPEWIRPIG-SNVBAGLBSA-N 0 3 284.360 -1.051 20 0 CAADHN O=C(N[C@H]1CNOC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000911470859 656246099 /nfs/dbraw/zinc/24/60/99/656246099.db2.gz XTTRNRPXKHLDBV-QWRGUYRKSA-N 0 3 282.344 -1.297 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911454135 656246586 /nfs/dbraw/zinc/24/65/86/656246586.db2.gz CYHSIKJCTKGXQF-SECBINFHSA-N 0 3 270.333 -1.441 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911460894 656246975 /nfs/dbraw/zinc/24/69/75/656246975.db2.gz DDLOJJMWZQBPEG-NXEZZACHSA-N 0 3 270.333 -1.394 20 0 CAADHN CN1CCN(C(=O)C(=O)N[C@H]2CNOC2)CCC1(C)C ZINC000911462465 656247805 /nfs/dbraw/zinc/24/78/05/656247805.db2.gz BQKRGPPEWIRPIG-JTQLQIEISA-N 0 3 284.360 -1.051 20 0 CAADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000911462905 656247912 /nfs/dbraw/zinc/24/79/12/656247912.db2.gz DBNKWPFENCPXDM-UWVGGRQHSA-N 0 3 284.360 -1.005 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCCON ZINC000911514653 656249670 /nfs/dbraw/zinc/24/96/70/656249670.db2.gz XBWXQOMXOUMHDA-SNVBAGLBSA-N 0 3 272.349 -1.064 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H](O)C(C)(C)O ZINC000911544318 656250517 /nfs/dbraw/zinc/25/05/17/656250517.db2.gz IOXDHGPOOKVHRQ-NXEZZACHSA-N 0 3 287.360 -1.303 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000911546627 656250613 /nfs/dbraw/zinc/25/06/13/656250613.db2.gz UYGZTRZYIOEQEG-LPEHRKFASA-N 0 3 282.344 -1.314 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCC(N)=O ZINC000911544151 656250731 /nfs/dbraw/zinc/25/07/31/656250731.db2.gz GRRRGCISGDEGMZ-SECBINFHSA-N 0 3 270.333 -1.170 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](O)C(C)(C)O ZINC000911544319 656250883 /nfs/dbraw/zinc/25/08/83/656250883.db2.gz IOXDHGPOOKVHRQ-UWVGGRQHSA-N 0 3 287.360 -1.303 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCC(N)=O ZINC000911544152 656250904 /nfs/dbraw/zinc/25/09/04/656250904.db2.gz GRRRGCISGDEGMZ-VIFPVBQESA-N 0 3 270.333 -1.170 20 0 CAADHN C[C@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H](C)N1 ZINC000911793875 656253339 /nfs/dbraw/zinc/25/33/39/656253339.db2.gz DLNPSNWXSSFJHL-FXQIFTODSA-N 0 3 254.290 -1.207 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)CN2)C[C@H](C)N1 ZINC000911793455 656253471 /nfs/dbraw/zinc/25/34/71/656253471.db2.gz BECHXEBHDJBXDR-KXUCPTDWSA-N 0 3 254.334 -1.375 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)CN2)C[C@@H](C)N1 ZINC000911793456 656253546 /nfs/dbraw/zinc/25/35/46/656253546.db2.gz BECHXEBHDJBXDR-OPRDCNLKSA-N 0 3 254.334 -1.375 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H](C)N1 ZINC000911793879 656253587 /nfs/dbraw/zinc/25/35/87/656253587.db2.gz DLNPSNWXSSFJHL-RNJXMRFFSA-N 0 3 254.290 -1.207 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)CN2)C[C@@H](C)N1 ZINC000911793453 656253633 /nfs/dbraw/zinc/25/36/33/656253633.db2.gz BECHXEBHDJBXDR-BBBLOLIVSA-N 0 3 254.334 -1.375 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H](O)C(C)(C)O)CC1=O ZINC000911874032 656254623 /nfs/dbraw/zinc/25/46/23/656254623.db2.gz VDWHWEMOSJGLMH-LLVKDONJSA-N 0 3 287.360 -1.649 20 0 CAADHN CN1C[C@H](C(=O)N(CCO)C2CCN(C)CC2)NC1=O ZINC000911944796 656255724 /nfs/dbraw/zinc/25/57/24/656255724.db2.gz CQPWUHRKQCWFAB-LLVKDONJSA-N 0 3 284.360 -1.075 20 0 CAADHN Cn1cnn(CC(=O)N(CCO)C2CCN(C)CC2)c1=O ZINC000911941881 656256026 /nfs/dbraw/zinc/25/60/26/656256026.db2.gz WXHDRBSGWRSEPI-UHFFFAOYSA-N 0 3 297.359 -1.503 20 0 CAADHN CN1CCC(N(CCO)C(=O)Cn2cnnn2)CC1 ZINC000911934664 656256091 /nfs/dbraw/zinc/25/60/91/656256091.db2.gz AUMVNKLDBHOAIA-UHFFFAOYSA-N 0 3 268.321 -1.412 20 0 CAADHN CN1CCC(N(CCO)C(=O)CN2CCOCC2=O)CC1 ZINC000911942254 656256267 /nfs/dbraw/zinc/25/62/67/656256267.db2.gz FMAGLUGBMMWNCH-UHFFFAOYSA-N 0 3 299.371 -1.240 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000912377459 656259340 /nfs/dbraw/zinc/25/93/40/656259340.db2.gz NMOJBAALRWOMCR-LLVKDONJSA-N 0 3 290.389 -1.359 20 0 CAADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030024791 656260249 /nfs/dbraw/zinc/26/02/49/656260249.db2.gz LPWWVTMYIYTXGR-BBBLOLIVSA-N 0 3 298.343 -1.454 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H](O)C(C)(C)O ZINC000912461648 656260369 /nfs/dbraw/zinc/26/03/69/656260369.db2.gz KUOUOAFFLLRVPO-LLVKDONJSA-N 0 3 289.376 -1.403 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCC(N)=O ZINC000912461643 656260626 /nfs/dbraw/zinc/26/06/26/656260626.db2.gz KTSICWXEXNMSPP-UHFFFAOYSA-N 0 3 272.349 -1.270 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000912462119 656260651 /nfs/dbraw/zinc/26/06/51/656260651.db2.gz MQFBZJQDOKFQAM-VHSXEESVSA-N 0 3 284.360 -1.414 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H](O)c1cnn(C)c1 ZINC000912604918 656261955 /nfs/dbraw/zinc/26/19/55/656261955.db2.gz WKQITGPBNPNZLW-LLVKDONJSA-N 0 3 270.333 -1.164 20 0 CAADHN CN(CCO)CCN(C)C(=O)C1(O)CCOCC1 ZINC000912605023 656261971 /nfs/dbraw/zinc/26/19/71/656261971.db2.gz AUKUWPYLXPEHQW-UHFFFAOYSA-N 0 3 260.334 -1.090 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CCCN1C=O ZINC000912598008 656262212 /nfs/dbraw/zinc/26/22/12/656262212.db2.gz BLZIUJONBSNBOB-LLVKDONJSA-N 0 3 257.334 -1.010 20 0 CAADHN CN(CCO)CCN(C)C(=O)CCn1ncn(C)c1=O ZINC000912603119 656262698 /nfs/dbraw/zinc/26/26/98/656262698.db2.gz DFSPDNMYPKQQQF-UHFFFAOYSA-N 0 3 285.348 -1.646 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCN(C)CCO)CC1 ZINC000912606518 656262855 /nfs/dbraw/zinc/26/28/55/656262855.db2.gz HEICKXCVWVGZCX-UHFFFAOYSA-N 0 3 257.334 -1.105 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1OCCN(C)C1=O ZINC000912598800 656262891 /nfs/dbraw/zinc/26/28/91/656262891.db2.gz GOYOBBCZZPQCNR-SNVBAGLBSA-N 0 3 273.333 -1.774 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CCOC(=O)N1 ZINC000912598486 656262974 /nfs/dbraw/zinc/26/29/74/656262974.db2.gz FQVPIGQGRKDONW-VIFPVBQESA-N 0 3 259.306 -1.133 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H](O)c1cnn(C)c1 ZINC000912604919 656263021 /nfs/dbraw/zinc/26/30/21/656263021.db2.gz WKQITGPBNPNZLW-NSHDSACASA-N 0 3 270.333 -1.164 20 0 CAADHN C[C@H](CC(=O)N(C)CCN(C)CCO)NC(N)=O ZINC000912599557 656263037 /nfs/dbraw/zinc/26/30/37/656263037.db2.gz OJGDHXWIHJQSAX-SECBINFHSA-N 0 3 260.338 -1.184 20 0 CAADHN C[C@@H](C(=O)N(C)CCN(C)CCO)N1C(=O)CCC1=O ZINC000912610235 656263341 /nfs/dbraw/zinc/26/33/41/656263341.db2.gz BHRVRNOQUWABDR-JTQLQIEISA-N 0 3 285.344 -1.094 20 0 CAADHN CN(CCO)CCN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000912609694 656263440 /nfs/dbraw/zinc/26/34/40/656263440.db2.gz IYPMRXOMASAIAX-UHFFFAOYSA-N 0 3 298.343 -2.071 20 0 CAADHN CN1CCN(C(=O)CCc2cnn[nH]2)[C@H](CO)C1 ZINC000912737739 656265899 /nfs/dbraw/zinc/26/58/99/656265899.db2.gz SXQZOEOGDMTBRM-JTQLQIEISA-N 0 3 253.306 -1.128 20 0 CAADHN C[C@H](C(=O)N(C)C)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924852251 656269345 /nfs/dbraw/zinc/26/93/45/656269345.db2.gz DCPKVDBKXVFQNZ-HTQZYQBOSA-N 0 3 256.306 -1.055 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NS(N)(=O)=O)C1 ZINC000913056866 656271167 /nfs/dbraw/zinc/27/11/67/656271167.db2.gz NCJHMQITLGRUMH-UHFFFAOYSA-N 0 3 264.351 -1.670 20 0 CAADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CC(O)(C(N)=O)C1 ZINC000913074352 656271222 /nfs/dbraw/zinc/27/12/22/656271222.db2.gz WJQQIWHVZUGRJE-RKDXNWHRSA-N 0 3 255.318 -1.082 20 0 CAADHN CCCN1CCC[C@H]1C(=O)N1CC(O)(C(N)=O)C1 ZINC000913075141 656271273 /nfs/dbraw/zinc/27/12/73/656271273.db2.gz MCYUWQOCELBDCZ-VIFPVBQESA-N 0 3 255.318 -1.081 20 0 CAADHN C[C@H]1CC[C@H](C)N1CC(=O)N1CC(O)(C(N)=O)C1 ZINC000913074351 656271484 /nfs/dbraw/zinc/27/14/84/656271484.db2.gz WJQQIWHVZUGRJE-IUCAKERBSA-N 0 3 255.318 -1.082 20 0 CAADHN NS(=O)(=O)NC1CN(C(=O)[C@@H]2CCCN2C2CC2)C1 ZINC000913054974 656271646 /nfs/dbraw/zinc/27/16/46/656271646.db2.gz QOMRTJROOCTFIU-JTQLQIEISA-N 0 3 288.373 -1.383 20 0 CAADHN CC[C@H](C(=O)N1CC(NS(N)(=O)=O)C1)N(C)C ZINC000913056501 656271784 /nfs/dbraw/zinc/27/17/84/656271784.db2.gz SCHNOUAOSYCACX-MRVPVSSYSA-N 0 3 264.351 -1.670 20 0 CAADHN NS(=O)(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000913055900 656271789 /nfs/dbraw/zinc/27/17/89/656271789.db2.gz GTWXRJADSVVXIK-UHFFFAOYSA-N 0 3 262.335 -1.914 20 0 CAADHN CN1CCN(C)CC(C(=O)N[C@@H]2COCCC2=O)C1 ZINC000913149496 656272371 /nfs/dbraw/zinc/27/23/71/656272371.db2.gz VDLHTXJLGCDDAA-LLVKDONJSA-N 0 3 269.345 -1.046 20 0 CAADHN CN1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@]1(CO)COCCN1 ZINC000913177977 656272619 /nfs/dbraw/zinc/27/26/19/656272619.db2.gz BLUSYFMUOFBTKS-KGYLQXTDSA-N 0 3 287.360 -2.091 20 0 CAADHN CN1CCC[C@H]1C(=O)NC[C@]1(CO)COCCN1 ZINC000913178277 656273016 /nfs/dbraw/zinc/27/30/16/656273016.db2.gz DVAGVTASXYQOTE-JQWIXIFHSA-N 0 3 257.334 -1.452 20 0 CAADHN O=C(NC[C@@]1(CO)COCCN1)C1CN([C@@H]2CCOC2)C1 ZINC000913178821 656274252 /nfs/dbraw/zinc/27/42/52/656274252.db2.gz KPKNTMSSGXZNNQ-TZMCWYRMSA-N 0 3 299.371 -1.826 20 0 CAADHN O=C(NC[C@]1(CO)COCCN1)C1CN([C@@H]2CCOC2)C1 ZINC000913178817 656274593 /nfs/dbraw/zinc/27/45/93/656274593.db2.gz KPKNTMSSGXZNNQ-OCCSQVGLSA-N 0 3 299.371 -1.826 20 0 CAADHN CC[C@H](C(=O)NC[C@]1(CO)COCCN1)N(C)C ZINC000913187483 656277101 /nfs/dbraw/zinc/27/71/01/656277101.db2.gz ZNAWMBYJTCZASA-PWSUYJOCSA-N 0 3 259.350 -1.206 20 0 CAADHN CCN(CC(=O)NC[C@@]1(CO)COCCN1)C1CC1 ZINC000913184184 656275188 /nfs/dbraw/zinc/27/51/88/656275188.db2.gz ZEXXGFSGAIRKQE-CYBMUJFWSA-N 0 3 271.361 -1.062 20 0 CAADHN CN(C)C1(C(=O)NC[C@@]2(CO)COCCN2)CC1 ZINC000913184857 656276191 /nfs/dbraw/zinc/27/61/91/656276191.db2.gz URFIIURBZRGWKG-LLVKDONJSA-N 0 3 257.334 -1.452 20 0 CAADHN CCN(CC)CC(=O)NC[C@@]1(CO)COCCN1 ZINC000913188459 656277263 /nfs/dbraw/zinc/27/72/63/656277263.db2.gz ITPNSSAQLJXIQO-GFCCVEGCSA-N 0 3 259.350 -1.205 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@]1(CO)COCCN1 ZINC000913190575 656278583 /nfs/dbraw/zinc/27/85/83/656278583.db2.gz LXMJVKASPCJPKP-LBPRGKRZSA-N 0 3 259.350 -1.206 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000923745337 656280569 /nfs/dbraw/zinc/28/05/69/656280569.db2.gz HXYBVUHAIOKZSW-BDAKNGLRSA-N 0 3 277.346 -1.322 20 0 CAADHN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)CCN1C ZINC000913366960 656283160 /nfs/dbraw/zinc/28/31/60/656283160.db2.gz TYAASCDUAQLSFK-LNFKQOIKSA-N 0 3 290.385 -1.009 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1CO ZINC000913541550 656284351 /nfs/dbraw/zinc/28/43/51/656284351.db2.gz PFBBUXAAMUKFLV-AGIUHOORSA-N 0 3 283.372 -1.016 20 0 CAADHN O=C(CNC(=O)Cn1cncn1)NCCN1CCCCC1 ZINC000058807215 656303463 /nfs/dbraw/zinc/30/34/63/656303463.db2.gz BFFFKYBBIIQXBY-UHFFFAOYSA-N 0 3 294.359 -1.004 20 0 CAADHN O=C(NC1CN(CCO)C1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001030345215 656304969 /nfs/dbraw/zinc/30/49/69/656304969.db2.gz BIWJIVDUVFGBIR-NEPJUHHUSA-N 0 3 269.345 -1.358 20 0 CAADHN NC(=O)CN1CC(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001030348815 656305243 /nfs/dbraw/zinc/30/52/43/656305243.db2.gz XHRBKGMHCNNWJY-GHMZBOCLSA-N 0 3 282.344 -1.865 20 0 CAADHN CNC(=O)CN1CC(NC(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001030348632 656305287 /nfs/dbraw/zinc/30/52/87/656305287.db2.gz VRNFLEGDLQVUDE-NWDGAFQWSA-N 0 3 296.371 -1.604 20 0 CAADHN O=C(NC1CN(CCO)C1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001030345217 656305303 /nfs/dbraw/zinc/30/53/03/656305303.db2.gz BIWJIVDUVFGBIR-RYUDHWBXSA-N 0 3 269.345 -1.358 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991871766 656318783 /nfs/dbraw/zinc/31/87/83/656318783.db2.gz KOYAGWKIIJDEPY-JTQLQIEISA-N 0 3 293.331 -1.906 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H](O)Cc1cnn(C)c1 ZINC000346195797 656321021 /nfs/dbraw/zinc/32/10/21/656321021.db2.gz QXQOBLFUZOLAHT-GFCCVEGCSA-N 0 3 284.360 -1.246 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2nccn2)C1 ZINC000991943717 656323066 /nfs/dbraw/zinc/32/30/66/656323066.db2.gz ZDZORJKNVTVBOX-NSHDSACASA-N 0 3 292.343 -1.301 20 0 CAADHN CNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000232291066 656323358 /nfs/dbraw/zinc/32/33/58/656323358.db2.gz XIRMSLVDIICVFH-SNVBAGLBSA-N 0 3 290.389 -1.406 20 0 CAADHN CNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCNCC2)C1 ZINC000232291068 656323533 /nfs/dbraw/zinc/32/35/33/656323533.db2.gz XIRMSLVDIICVFH-JTQLQIEISA-N 0 3 290.389 -1.406 20 0 CAADHN NC(=O)CN1CC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001030705907 656324263 /nfs/dbraw/zinc/32/42/63/656324263.db2.gz PARWVTSXYHIZEL-GOSTWBGLSA-N 0 3 294.355 -1.865 20 0 CAADHN O=C(NC1CN(CCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001030704384 656324320 /nfs/dbraw/zinc/32/43/20/656324320.db2.gz BMKPJHJXYDIGRK-KHJSKFAYSA-N 0 3 281.356 -1.358 20 0 CAADHN Cn1nnc(C(=O)N[C@]23CCC[C@@H]2N(CCO)CC3)n1 ZINC000992115050 656326638 /nfs/dbraw/zinc/32/66/38/656326638.db2.gz ABPHERUWYYHJQZ-CABZTGNLSA-N 0 3 280.332 -1.071 20 0 CAADHN Cn1nnc(C(=O)N[C@@]23CCC[C@@H]2N(CCO)CC3)n1 ZINC000992115053 656326850 /nfs/dbraw/zinc/32/68/50/656326850.db2.gz ABPHERUWYYHJQZ-JOYOIKCWSA-N 0 3 280.332 -1.071 20 0 CAADHN Cn1nnc(C(=O)N[C@@]23CCC[C@H]2N(CCO)CC3)n1 ZINC000992115046 656327076 /nfs/dbraw/zinc/32/70/76/656327076.db2.gz ABPHERUWYYHJQZ-BXKDBHETSA-N 0 3 280.332 -1.071 20 0 CAADHN COC[C@H](C)N1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015012026 656327119 /nfs/dbraw/zinc/32/71/19/656327119.db2.gz ZLCUBLKYCLDISR-WDEREUQCSA-N 0 3 297.359 -1.193 20 0 CAADHN CN1CC[C@H](N2CC[C@]3(NC(=O)C(N)=O)CCC[C@@H]23)C1=O ZINC000992146805 656329383 /nfs/dbraw/zinc/32/93/83/656329383.db2.gz SZHHFHHFNDGITP-IMSIIYSGSA-N 0 3 294.355 -1.184 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@H]1N([C@H]1CCCNC1=O)CC2 ZINC000992147905 656330050 /nfs/dbraw/zinc/33/00/50/656330050.db2.gz XDMAKQDVTBGTIY-RBZYPMLTSA-N 0 3 294.355 -1.137 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@@H]1N([C@H]1CCCNC1=O)CC2 ZINC000992147903 656330359 /nfs/dbraw/zinc/33/03/59/656330359.db2.gz XDMAKQDVTBGTIY-BHDSKKPTSA-N 0 3 294.355 -1.137 20 0 CAADHN COCCN1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000270783982 656337163 /nfs/dbraw/zinc/33/71/63/656337163.db2.gz PMIMQZTYYDNXDO-IUCAKERBSA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015137530 656337337 /nfs/dbraw/zinc/33/73/37/656337337.db2.gz MUHJVMCVEWBXJF-VHSXEESVSA-N 0 3 296.327 -1.480 20 0 CAADHN NC(=O)CN1CC[C@]2(NC(=O)Cc3nnc[nH]3)CCC[C@@H]12 ZINC000992401072 656338267 /nfs/dbraw/zinc/33/82/67/656338267.db2.gz DXBXUWIOPBMXJK-NOZJJQNGSA-N 0 3 292.343 -1.054 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@@H]2COCO2)C1 ZINC000923854301 656338621 /nfs/dbraw/zinc/33/86/21/656338621.db2.gz XQGPGMVOUMVSFO-MWLCHTKSSA-N 0 3 259.306 -1.275 20 0 CAADHN CN(C)CC(=O)NC1(C)CN(C(=O)CN(C)C)C1 ZINC000913837853 656340494 /nfs/dbraw/zinc/34/04/94/656340494.db2.gz RLYKJHRZACBFHX-UHFFFAOYSA-N 0 3 256.350 -1.173 20 0 CAADHN CNC(=O)CN1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001030959975 656341461 /nfs/dbraw/zinc/34/14/61/656341461.db2.gz NPKGNGGJXKYONW-SNVBAGLBSA-N 0 3 268.361 -1.125 20 0 CAADHN C[C@H]1CCCN1CC(=O)NC1CN(Cc2nnnn2C)C1 ZINC001030954619 656341853 /nfs/dbraw/zinc/34/18/53/656341853.db2.gz ZHVAEEXFCNQJKU-JTQLQIEISA-N 0 3 293.375 -1.005 20 0 CAADHN CNC(=O)CN1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001030959974 656341866 /nfs/dbraw/zinc/34/18/66/656341866.db2.gz NPKGNGGJXKYONW-JTQLQIEISA-N 0 3 268.361 -1.125 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2CN(Cc3nnn(C)n3)C2)C1 ZINC001030960055 656342039 /nfs/dbraw/zinc/34/20/39/656342039.db2.gz ORFOGFGGXQCGBE-JTQLQIEISA-N 0 3 293.375 -1.148 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2CN(CC(N)=O)C2)C1 ZINC001030960978 656342360 /nfs/dbraw/zinc/34/23/60/656342360.db2.gz XTKMUTZRFDDJFV-SECBINFHSA-N 0 3 254.334 -1.386 20 0 CAADHN CN(C[C@@H]1CCN(C)C1)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000914066637 656344092 /nfs/dbraw/zinc/34/40/92/656344092.db2.gz YJENUWAAJZWWSK-GMTAPVOTSA-N 0 3 278.374 -1.041 20 0 CAADHN C[C@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)C[C@H]1N(C)C ZINC000914241356 656346529 /nfs/dbraw/zinc/34/65/29/656346529.db2.gz JNJPMQIYTFPJFX-LNFKQOIKSA-N 0 3 278.374 -1.042 20 0 CAADHN C[C@@H]1[C@H](NC(=O)Cn2cnnn2)CCCN1CCO ZINC000993020592 656350282 /nfs/dbraw/zinc/35/02/82/656350282.db2.gz YFPYFBWUTSDLKA-NXEZZACHSA-N 0 3 268.321 -1.366 20 0 CAADHN CC(=O)N1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000032048515 656351725 /nfs/dbraw/zinc/35/17/25/656351725.db2.gz YVSDTWOJJJEPSX-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN C[C@H]1[C@H](NC(=O)CN2CN=NC2=O)CCCN1CCO ZINC000993216994 656356049 /nfs/dbraw/zinc/35/60/49/656356049.db2.gz OKMXWRQUAHQHFH-VHSXEESVSA-N 0 3 283.332 -1.055 20 0 CAADHN C[C@@H]1[C@H](NC(=O)Cn2ncnn2)CCCN1CCO ZINC000993350928 656358633 /nfs/dbraw/zinc/35/86/33/656358633.db2.gz NWYJJYXKZRDRDP-NXEZZACHSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCCN1CCO ZINC000993425190 656359823 /nfs/dbraw/zinc/35/98/23/656359823.db2.gz OKSIYWSDWSMGRG-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN COCC(=O)N1CC(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000993575175 656360510 /nfs/dbraw/zinc/36/05/10/656360510.db2.gz FWCWQNZZTYMWIN-VXGBXAGGSA-N 0 3 297.355 -1.177 20 0 CAADHN C[C@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCCN1CCO ZINC000993518478 656360626 /nfs/dbraw/zinc/36/06/26/656360626.db2.gz YXZMHVAZVXMZOJ-QWRGUYRKSA-N 0 3 297.359 -1.457 20 0 CAADHN C[C@H]1[C@H](NC(=O)CN2CCNC(=O)C2)CCCN1CCO ZINC000993700928 656361324 /nfs/dbraw/zinc/36/13/24/656361324.db2.gz LWUZTXYDBOBXKZ-NWDGAFQWSA-N 0 3 298.387 -1.620 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCCN1CCO ZINC000993700924 656361627 /nfs/dbraw/zinc/36/16/27/656361627.db2.gz LWUZTXYDBOBXKZ-NEPJUHHUSA-N 0 3 298.387 -1.620 20 0 CAADHN C[C@@H]1[C@H](NC(=O)CN2CCNC(=O)C2)CCCN1CCO ZINC000993700943 656361676 /nfs/dbraw/zinc/36/16/76/656361676.db2.gz LWUZTXYDBOBXKZ-VXGBXAGGSA-N 0 3 298.387 -1.620 20 0 CAADHN CCN1CCCC[C@H]1C(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000993882786 656362300 /nfs/dbraw/zinc/36/23/00/656362300.db2.gz VBCPKPNFDIYIFU-JTQLQIEISA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CCCN1CCO ZINC000994016042 656362700 /nfs/dbraw/zinc/36/27/00/656362700.db2.gz CBCAMFYKDGZLDU-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CN(Cc2nnnn2C)C1 ZINC001031313653 656363873 /nfs/dbraw/zinc/36/38/73/656363873.db2.gz SVHIKYHXROAGMK-UHFFFAOYSA-N 0 3 290.331 -1.215 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CN([C@@H](C)C(N)=O)C1 ZINC001031313647 656363947 /nfs/dbraw/zinc/36/39/47/656363947.db2.gz SPNJSMHZVFJCOO-QMMMGPOBSA-N 0 3 265.317 -1.065 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CN([C@H](C)C(N)=O)C1 ZINC001031313646 656364088 /nfs/dbraw/zinc/36/40/88/656364088.db2.gz SPNJSMHZVFJCOO-MRVPVSSYSA-N 0 3 265.317 -1.065 20 0 CAADHN CNC(=O)CN1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001031313815 656364093 /nfs/dbraw/zinc/36/40/93/656364093.db2.gz WWFAPNOWLBKYRA-UHFFFAOYSA-N 0 3 265.317 -1.193 20 0 CAADHN C[C@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCCN1CCO ZINC000994368678 656364819 /nfs/dbraw/zinc/36/48/19/656364819.db2.gz WAXPWDRIIDRPMR-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@H](CCO)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000929983899 656368927 /nfs/dbraw/zinc/36/89/27/656368927.db2.gz JJCPUJDAOJDAHM-WOPDTQHZSA-N 0 3 292.401 -1.155 20 0 CAADHN C[C@@H]1[C@H](NC(=O)NCCN2C(=O)CNC2=O)CCN1C ZINC000918503371 656372252 /nfs/dbraw/zinc/37/22/52/656372252.db2.gz VFAQUYRVFJODNW-RKDXNWHRSA-N 0 3 283.332 -1.070 20 0 CAADHN C[C@H]1[C@H](NC(=O)NCCN2C(=O)CNC2=O)CCN1C ZINC000918503369 656372568 /nfs/dbraw/zinc/37/25/68/656372568.db2.gz VFAQUYRVFJODNW-DTWKUNHWSA-N 0 3 283.332 -1.070 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(CCO)C2)C1=O ZINC001015785883 656374775 /nfs/dbraw/zinc/37/47/75/656374775.db2.gz FCAVFWVDACXSHG-MRVPVSSYSA-N 0 3 298.299 -2.410 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001031557378 656375371 /nfs/dbraw/zinc/37/53/71/656375371.db2.gz UJUODMSETKZERL-MWLCHTKSSA-N 0 3 258.318 -1.169 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@@H]1COCCO1 ZINC001031557972 656375423 /nfs/dbraw/zinc/37/54/23/656375423.db2.gz NFFXIVYLLWJJCJ-NSHDSACASA-N 0 3 258.318 -1.168 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031584275 656376865 /nfs/dbraw/zinc/37/68/65/656376865.db2.gz AYSKGMNVBDGGII-WCBMZHEXSA-N 0 3 255.318 -1.306 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001031597396 656377126 /nfs/dbraw/zinc/37/71/26/656377126.db2.gz ZNQSGOXPARJTRQ-CMPLNLGQSA-N 0 3 271.361 -1.254 20 0 CAADHN CC[C@@H](C)[C@@H]1CN(C[C@@H](O)CO)CCN1C[C@@H](O)CO ZINC000930079708 656377164 /nfs/dbraw/zinc/37/71/64/656377164.db2.gz IINNYVXBAIYDJT-SYQHCUMBSA-N 0 3 290.404 -1.275 20 0 CAADHN CC[C@@H](C)[C@H]1CN(C[C@H](O)CO)CCN1C[C@H](O)CO ZINC000930079716 656377261 /nfs/dbraw/zinc/37/72/61/656377261.db2.gz IINNYVXBAIYDJT-ZOBORPQBSA-N 0 3 290.404 -1.275 20 0 CAADHN CN1CCO[C@@H](C(=O)NCC2CN(CCCO)C2)C1 ZINC001031594138 656377578 /nfs/dbraw/zinc/37/75/78/656377578.db2.gz UJDCONQZDOCCKG-GFCCVEGCSA-N 0 3 271.361 -1.253 20 0 CAADHN CC[C@H](C)[C@H]1CN(C[C@H](O)CO)CCN1C[C@H](O)CO ZINC000930079709 656377690 /nfs/dbraw/zinc/37/76/90/656377690.db2.gz IINNYVXBAIYDJT-XDQVBPFNSA-N 0 3 290.404 -1.275 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@@H]1CCNC(=O)C1 ZINC001031611486 656377804 /nfs/dbraw/zinc/37/78/04/656377804.db2.gz OATMJMUEZQHZPE-LLVKDONJSA-N 0 3 269.345 -1.057 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001031620692 656378257 /nfs/dbraw/zinc/37/82/57/656378257.db2.gz BENWCFHGUIKQOS-PWSUYJOCSA-N 0 3 271.361 -1.254 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@H]1COC(=O)N1 ZINC001031643202 656379321 /nfs/dbraw/zinc/37/93/21/656379321.db2.gz MLXVXIIGQNNGFS-SECBINFHSA-N 0 3 257.290 -1.475 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)c2cnnn2C)C1 ZINC001031646181 656379712 /nfs/dbraw/zinc/37/97/12/656379712.db2.gz VTRMHIXMUBCFRZ-MRVPVSSYSA-N 0 3 253.306 -1.143 20 0 CAADHN CC(=O)N1CC(C(=O)NCC2CN(C[C@H](C)O)C2)C1 ZINC001031636245 656379770 /nfs/dbraw/zinc/37/97/70/656379770.db2.gz QMBHVNFAJCSXDB-VIFPVBQESA-N 0 3 269.345 -1.107 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@@H]1COC(=O)N1 ZINC001031643203 656379875 /nfs/dbraw/zinc/37/98/75/656379875.db2.gz MLXVXIIGQNNGFS-VIFPVBQESA-N 0 3 257.290 -1.475 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001031646410 656380467 /nfs/dbraw/zinc/38/04/67/656380467.db2.gz BLTPNDVJNXYGDG-IONNQARKSA-N 0 3 257.290 -1.476 20 0 CAADHN Cn1nncc1C(=O)NCC1CN(CCCO)C1 ZINC001031646184 656380593 /nfs/dbraw/zinc/38/05/93/656380593.db2.gz VUSUPEWXAHSJAF-UHFFFAOYSA-N 0 3 253.306 -1.141 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001031646408 656380781 /nfs/dbraw/zinc/38/07/81/656380781.db2.gz BLTPNDVJNXYGDG-APPZFPTMSA-N 0 3 257.290 -1.476 20 0 CAADHN CN1C[C@@H](C(=O)NCC2CN(CCCO)C2)CC1=O ZINC001031712550 656385062 /nfs/dbraw/zinc/38/50/62/656385062.db2.gz CDKDYVNZKGMOTJ-NSHDSACASA-N 0 3 269.345 -1.105 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@H]1CCCNC1=O ZINC001031747513 656390562 /nfs/dbraw/zinc/39/05/62/656390562.db2.gz KCWBSILESZGTQV-NSHDSACASA-N 0 3 269.345 -1.057 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001031748819 656390612 /nfs/dbraw/zinc/39/06/12/656390612.db2.gz JGLFYQOOLWUIBA-ONGXEEELSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1NCC(N)=O ZINC000939054318 656391248 /nfs/dbraw/zinc/39/12/48/656391248.db2.gz IAHDYHARVAVHLI-HTQZYQBOSA-N 0 3 281.316 -1.339 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1NCC(N)=O ZINC000939216494 656393022 /nfs/dbraw/zinc/39/30/22/656393022.db2.gz WRJYTWRISRYSLX-PSASIEDQSA-N 0 3 265.317 -1.126 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001031801921 656393204 /nfs/dbraw/zinc/39/32/04/656393204.db2.gz IGBJOHDIKOHEQQ-KOLCDFICSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1NCC(N)=O ZINC000939216496 656393320 /nfs/dbraw/zinc/39/33/20/656393320.db2.gz WRJYTWRISRYSLX-WCBMZHEXSA-N 0 3 265.317 -1.126 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1NCC(N)=O ZINC000939216495 656393458 /nfs/dbraw/zinc/39/34/58/656393458.db2.gz WRJYTWRISRYSLX-SCZZXKLOSA-N 0 3 265.317 -1.126 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1NCCF ZINC000939328387 656393687 /nfs/dbraw/zinc/39/36/87/656393687.db2.gz GLXLZEMOFZVHGV-RKDXNWHRSA-N 0 3 286.307 -1.056 20 0 CAADHN C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1NCC(N)=O ZINC000939305297 656393817 /nfs/dbraw/zinc/39/38/17/656393817.db2.gz YLZZXPMFDMYWFR-APPZFPTMSA-N 0 3 296.327 -2.039 20 0 CAADHN C[C@H]1CCN(CC(=O)N(C)[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000939377224 656395031 /nfs/dbraw/zinc/39/50/31/656395031.db2.gz XFUMHMILTOWEFS-QWRGUYRKSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1NCC(N)=O ZINC000939412850 656395812 /nfs/dbraw/zinc/39/58/12/656395812.db2.gz HQODMONALZGEDS-DTWKUNHWSA-N 0 3 265.317 -1.126 20 0 CAADHN Cc1nonc1CC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC000939439389 656396196 /nfs/dbraw/zinc/39/61/96/656396196.db2.gz VPJGHZBWHIZHJA-GMSGAONNSA-N 0 3 281.316 -1.158 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1NCC(N)=O ZINC000939412848 656396205 /nfs/dbraw/zinc/39/62/05/656396205.db2.gz HQODMONALZGEDS-BDAKNGLRSA-N 0 3 265.317 -1.126 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)C[C@H]1NCC(N)=O ZINC000939418689 656396425 /nfs/dbraw/zinc/39/64/25/656396425.db2.gz RQHOCDGZWWKRDD-GMSGAONNSA-N 0 3 293.327 -1.351 20 0 CAADHN C[C@@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H]1NCC(N)=O ZINC000939559414 656396795 /nfs/dbraw/zinc/39/67/95/656396795.db2.gz BFUGIUHFUGZUGF-MWLCHTKSSA-N 0 3 292.339 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1NC(=O)C(N)=O ZINC000939700696 656398264 /nfs/dbraw/zinc/39/82/64/656398264.db2.gz PKFKUSSKNZFWBG-HBNTYKKESA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1NCCF ZINC000939696893 656398275 /nfs/dbraw/zinc/39/82/75/656398275.db2.gz JZVSCNRDPYAFOW-RKDXNWHRSA-N 0 3 286.307 -1.056 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1NC(=O)C(N)=O ZINC000939700263 656398326 /nfs/dbraw/zinc/39/83/26/656398326.db2.gz YBNXTEGTDUJLRN-GMTAPVOTSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000939700164 656398562 /nfs/dbraw/zinc/39/85/62/656398562.db2.gz QUSWRQGTSCVABX-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1CN(C(=O)CN2C(=O)CCC2=O)C[C@H]1NCC(N)=O ZINC000939700971 656398635 /nfs/dbraw/zinc/39/86/35/656398635.db2.gz ACEYPHCUFXFBAO-RKDXNWHRSA-N 0 3 296.327 -1.943 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC000939699511 656398746 /nfs/dbraw/zinc/39/87/46/656398746.db2.gz DMMMDAQCEMIDOO-FBIMIBRVSA-N 0 3 296.371 -1.225 20 0 CAADHN C[C@@H]1CN(C(=O)CCN2CCCC2=O)C[C@H]1NCC(N)=O ZINC000939775565 656399594 /nfs/dbraw/zinc/39/95/94/656399594.db2.gz HXMPIXBJNNPZHL-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1NCC(N)=O ZINC000939747284 656399857 /nfs/dbraw/zinc/39/98/57/656399857.db2.gz KEIBPTKMAQUJBQ-PSASIEDQSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001031903232 656405096 /nfs/dbraw/zinc/40/50/96/656405096.db2.gz XOVIOYKMVHTLFG-PSASIEDQSA-N 0 3 255.318 -1.449 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001031912712 656405429 /nfs/dbraw/zinc/40/54/29/656405429.db2.gz OIYXHPVWYUPYJV-KOLCDFICSA-N 0 3 269.345 -1.107 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001031912714 656406047 /nfs/dbraw/zinc/40/60/47/656406047.db2.gz OIYXHPVWYUPYJV-MWLCHTKSSA-N 0 3 269.345 -1.107 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001031912710 656406152 /nfs/dbraw/zinc/40/61/52/656406152.db2.gz OIYXHPVWYUPYJV-GXSJLCMTSA-N 0 3 269.345 -1.107 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001031933998 656408889 /nfs/dbraw/zinc/40/88/89/656408889.db2.gz VWQYUTQKSIMTFU-MRVPVSSYSA-N 0 3 266.301 -1.188 20 0 CAADHN COC[C@@H](C)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031943156 656409857 /nfs/dbraw/zinc/40/98/57/656409857.db2.gz XWKRXPCUWJPACT-PSASIEDQSA-N 0 3 270.333 -1.249 20 0 CAADHN CO[C@H](C)CN1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031941476 656410329 /nfs/dbraw/zinc/41/03/29/656410329.db2.gz DWPRVEHWUFKTOB-SCZZXKLOSA-N 0 3 270.333 -1.249 20 0 CAADHN NC(=O)C(=O)N1CCN(C2CN(C[C@@H]3CCOC3)C2)CC1 ZINC000941543939 656416734 /nfs/dbraw/zinc/41/67/34/656416734.db2.gz WMSJNEPSVRGRIW-NSHDSACASA-N 0 3 296.371 -1.663 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000941931082 656447467 /nfs/dbraw/zinc/44/74/67/656447467.db2.gz SBKRTDGVWBVMGB-SECBINFHSA-N 0 3 293.327 -1.147 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031979767 656448362 /nfs/dbraw/zinc/44/83/62/656448362.db2.gz HJEJAUJQBDXVJR-ZJUUUORDSA-N 0 3 255.318 -1.462 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001031982146 656450121 /nfs/dbraw/zinc/45/01/21/656450121.db2.gz HNNNXKMLIFYTSH-SFGNSQDASA-N 0 3 255.318 -1.463 20 0 CAADHN Cc1nc(CC(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2C)n[nH]1 ZINC000942034090 656451113 /nfs/dbraw/zinc/45/11/13/656451113.db2.gz SFFITBCEDRDJJY-WCBMZHEXSA-N 0 3 294.359 -1.032 20 0 CAADHN Cc1nc(CC(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2C)n[nH]1 ZINC000942034089 656451304 /nfs/dbraw/zinc/45/13/04/656451304.db2.gz SFFITBCEDRDJJY-SCZZXKLOSA-N 0 3 294.359 -1.032 20 0 CAADHN Cc1nc(CC(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2C)n[nH]1 ZINC000942034088 656451751 /nfs/dbraw/zinc/45/17/51/656451751.db2.gz SFFITBCEDRDJJY-PSASIEDQSA-N 0 3 294.359 -1.032 20 0 CAADHN Cc1nc(CC(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2C)n[nH]1 ZINC000942034091 656451885 /nfs/dbraw/zinc/45/18/85/656451885.db2.gz SFFITBCEDRDJJY-WPRPVWTQSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000942135837 656453852 /nfs/dbraw/zinc/45/38/52/656453852.db2.gz NJNCJFLFRBWQDO-LLVKDONJSA-N 0 3 296.371 -1.126 20 0 CAADHN C[C@H]1CCCN1CC(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942307919 656457116 /nfs/dbraw/zinc/45/71/16/656457116.db2.gz IFVQTZOEZCTASO-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN O=C(N[C@@H]1CCN(CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001015872072 656458400 /nfs/dbraw/zinc/45/84/00/656458400.db2.gz ZECHNAAEQLOFKJ-SECBINFHSA-N 0 3 293.331 -1.366 20 0 CAADHN O=C(N[C@@H]1CCN(CCN2CCNC2=O)C1)c1nc[nH]n1 ZINC001015872072 656458402 /nfs/dbraw/zinc/45/84/02/656458402.db2.gz ZECHNAAEQLOFKJ-SECBINFHSA-N 0 3 293.331 -1.366 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032014005 656459435 /nfs/dbraw/zinc/45/94/35/656459435.db2.gz UKDQPBBNFOGMBS-CBAPKCEASA-N 0 3 284.316 -1.987 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032013672 656459504 /nfs/dbraw/zinc/45/95/04/656459504.db2.gz IDEDJINOBYYLOR-VIFPVBQESA-N 0 3 284.316 -1.985 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032014004 656459526 /nfs/dbraw/zinc/45/95/26/656459526.db2.gz UKDQPBBNFOGMBS-APPZFPTMSA-N 0 3 284.316 -1.987 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000942434750 656460291 /nfs/dbraw/zinc/46/02/91/656460291.db2.gz LAMKOLNQZLWUKJ-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000942432839 656460481 /nfs/dbraw/zinc/46/04/81/656460481.db2.gz VBLYHQOWDGIRJL-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H]1CN(CCN2CCCC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000942594917 656461280 /nfs/dbraw/zinc/46/12/80/656461280.db2.gz QOKFZPNJZKKLPG-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN O=C(NCC1CN([C@H]2CCNC2=O)C1)c1ncn[nH]1 ZINC001032058326 656463282 /nfs/dbraw/zinc/46/32/82/656463282.db2.gz TUBKVQJFTLULLO-QMMMGPOBSA-N 0 3 264.289 -1.645 20 0 CAADHN O=C(NCC1CN(CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001032058324 656463646 /nfs/dbraw/zinc/46/36/46/656463646.db2.gz SXAXAHRHULMFLP-UHFFFAOYSA-N 0 3 293.331 -1.509 20 0 CAADHN O=C(NCC1CN(CCN2CCNC2=O)C1)c1nc[nH]n1 ZINC001032058324 656463648 /nfs/dbraw/zinc/46/36/48/656463648.db2.gz SXAXAHRHULMFLP-UHFFFAOYSA-N 0 3 293.331 -1.509 20 0 CAADHN O=C(NCC1CN(CCn2cncn2)C1)c1nnc[nH]1 ZINC001032059603 656463767 /nfs/dbraw/zinc/46/37/67/656463767.db2.gz KJRPPMPSVCAHOD-UHFFFAOYSA-N 0 3 276.304 -1.242 20 0 CAADHN O=C(NCC1CN(CCn2cncn2)C1)c1ncn[nH]1 ZINC001032059603 656463771 /nfs/dbraw/zinc/46/37/71/656463771.db2.gz KJRPPMPSVCAHOD-UHFFFAOYSA-N 0 3 276.304 -1.242 20 0 CAADHN O=C(NCC1CN(CCn2cncn2)C1)c1nc[nH]n1 ZINC001032059603 656463774 /nfs/dbraw/zinc/46/37/74/656463774.db2.gz KJRPPMPSVCAHOD-UHFFFAOYSA-N 0 3 276.304 -1.242 20 0 CAADHN C[C@@H]1CN(CC(N)=O)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943702580 656464915 /nfs/dbraw/zinc/46/49/15/656464915.db2.gz OYPLPGJUCZNZII-HTQZYQBOSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@@H]1CN(CC(N)=O)CC[C@H]1NC(=O)c1nc[nH]n1 ZINC000943702580 656464919 /nfs/dbraw/zinc/46/49/19/656464919.db2.gz OYPLPGJUCZNZII-HTQZYQBOSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@@H]1CN(CC(N)=O)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943702583 656465183 /nfs/dbraw/zinc/46/51/83/656465183.db2.gz OYPLPGJUCZNZII-SFYZADRCSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@@H]1CN(CC(N)=O)CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000943702583 656465186 /nfs/dbraw/zinc/46/51/86/656465186.db2.gz OYPLPGJUCZNZII-SFYZADRCSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@H](N[C@H]1CN(C(=O)Cn2cnnn2)CC1(C)C)C(N)=O ZINC000995418170 656466097 /nfs/dbraw/zinc/46/60/97/656466097.db2.gz VWAUNBILWOWFLL-IUCAKERBSA-N 0 3 295.347 -1.627 20 0 CAADHN CC1(C)CN(C(=O)Cn2cnnn2)C[C@@H]1NCC(N)=O ZINC000995417090 656466189 /nfs/dbraw/zinc/46/61/89/656466189.db2.gz SRSFQACKMPIGFE-QMMMGPOBSA-N 0 3 281.320 -2.015 20 0 CAADHN C[C@@H](N[C@H]1CN(C(=O)Cn2cnnn2)CC1(C)C)C(N)=O ZINC000995418161 656466237 /nfs/dbraw/zinc/46/62/37/656466237.db2.gz VWAUNBILWOWFLL-BDAKNGLRSA-N 0 3 295.347 -1.627 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032136599 656466833 /nfs/dbraw/zinc/46/68/33/656466833.db2.gz AYSKGMNVBDGGII-WPRPVWTQSA-N 0 3 255.318 -1.306 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)NCC1CN(CCCO)C1 ZINC001032195670 656469842 /nfs/dbraw/zinc/46/98/42/656469842.db2.gz FGZAPRKJNYEWOX-CYBMUJFWSA-N 0 3 299.371 -1.336 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)NCC1CN(C[C@@H](C)O)C1 ZINC001032195614 656469875 /nfs/dbraw/zinc/46/98/75/656469875.db2.gz CFYXVBPLHZYYMH-ZWNOBZJWSA-N 0 3 299.371 -1.338 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)NCC1CN(C[C@@H](C)O)C1 ZINC001032195613 656469903 /nfs/dbraw/zinc/46/99/03/656469903.db2.gz CFYXVBPLHZYYMH-MFKMUULPSA-N 0 3 299.371 -1.338 20 0 CAADHN CC1(C)CN(C(=O)CCn2cncn2)C[C@@H]1NCC(N)=O ZINC000995484224 656470048 /nfs/dbraw/zinc/47/00/48/656470048.db2.gz UHVRAPJOLJMETJ-JTQLQIEISA-N 0 3 294.359 -1.020 20 0 CAADHN CC1(C)CN(C(=O)CCn2cncn2)C[C@H]1NCC(N)=O ZINC000995484229 656470145 /nfs/dbraw/zinc/47/01/45/656470145.db2.gz UHVRAPJOLJMETJ-SNVBAGLBSA-N 0 3 294.359 -1.020 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001032194508 656470330 /nfs/dbraw/zinc/47/03/30/656470330.db2.gz RIEPLTSFVJMZDR-WPRPVWTQSA-N 0 3 291.373 -1.893 20 0 CAADHN CCN1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001032194273 656470369 /nfs/dbraw/zinc/47/03/69/656470369.db2.gz ORRHNCDAZNHLCO-VIFPVBQESA-N 0 3 261.347 -1.254 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)NCC1CN(CCCO)C1 ZINC001032195671 656470498 /nfs/dbraw/zinc/47/04/98/656470498.db2.gz FGZAPRKJNYEWOX-ZDUSSCGKSA-N 0 3 299.371 -1.336 20 0 CAADHN CC1(C)CN(C(=O)CS(C)(=O)=O)C[C@@H]1NCC(N)=O ZINC000995534049 656473126 /nfs/dbraw/zinc/47/31/26/656473126.db2.gz MDSBASBZSCZTMI-QMMMGPOBSA-N 0 3 291.373 -1.657 20 0 CAADHN CN1CCO[C@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995604132 656473547 /nfs/dbraw/zinc/47/35/47/656473547.db2.gz LAYVHZXRVDPXGP-WDEREUQCSA-N 0 3 298.387 -1.371 20 0 CAADHN CC1(C)CN(C(=O)c2nccnc2N)C[C@H]1NCC(N)=O ZINC000995552300 656473625 /nfs/dbraw/zinc/47/36/25/656473625.db2.gz KIEKRWDTWGIHGH-MRVPVSSYSA-N 0 3 292.343 -1.016 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1N[C@@H]1CCNC1=O ZINC000995560385 656473646 /nfs/dbraw/zinc/47/36/46/656473646.db2.gz JSOGUSGORLYLDF-BDAKNGLRSA-N 0 3 282.344 -1.423 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1NCC(=O)N1CCC1 ZINC000995574954 656473683 /nfs/dbraw/zinc/47/36/83/656473683.db2.gz QHVKKLRFIWUWOW-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@H]1N[C@H]1CCNC1=O ZINC000995560395 656473746 /nfs/dbraw/zinc/47/37/46/656473746.db2.gz JSOGUSGORLYLDF-DTWKUNHWSA-N 0 3 282.344 -1.423 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1N[C@H]1CCNC1=O ZINC000995560405 656473872 /nfs/dbraw/zinc/47/38/72/656473872.db2.gz JSOGUSGORLYLDF-IUCAKERBSA-N 0 3 282.344 -1.423 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@H]1NCC(N)=O ZINC000995574781 656473881 /nfs/dbraw/zinc/47/38/81/656473881.db2.gz OUASQEWUUJZQAL-SSDOTTSWSA-N 0 3 256.306 -1.826 20 0 CAADHN CC1(C)CN(C(=O)c2nccnc2N)C[C@@H]1NCC(N)=O ZINC000995552302 656473956 /nfs/dbraw/zinc/47/39/56/656473956.db2.gz KIEKRWDTWGIHGH-QMMMGPOBSA-N 0 3 292.343 -1.016 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1N[C@@H]1CCCNC1=O ZINC000995558207 656474053 /nfs/dbraw/zinc/47/40/53/656474053.db2.gz FOGYGRLBBRTUGH-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1NCC(N)=O ZINC000995656534 656475559 /nfs/dbraw/zinc/47/55/59/656475559.db2.gz DJEQBEPSJIAVJN-UWVGGRQHSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1NCC(N)=O ZINC000995656542 656475755 /nfs/dbraw/zinc/47/57/55/656475755.db2.gz DJEQBEPSJIAVJN-ZJUUUORDSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1NCC(N)=O ZINC000995656528 656476002 /nfs/dbraw/zinc/47/60/02/656476002.db2.gz DJEQBEPSJIAVJN-NXEZZACHSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)CN2CCOCC2)C[C@@H]1NCC(N)=O ZINC000995692658 656477620 /nfs/dbraw/zinc/47/76/20/656477620.db2.gz FLQRUSUQJZCPRU-NSHDSACASA-N 0 3 298.387 -1.370 20 0 CAADHN CN1CCOC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995699069 656478660 /nfs/dbraw/zinc/47/86/60/656478660.db2.gz RKXIBFDXKPCINS-WDEREUQCSA-N 0 3 298.387 -1.371 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995699060 656478762 /nfs/dbraw/zinc/47/87/62/656478762.db2.gz RKXIBFDXKPCINS-GHMZBOCLSA-N 0 3 298.387 -1.371 20 0 CAADHN O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCOC1 ZINC001032269745 656480817 /nfs/dbraw/zinc/48/08/17/656480817.db2.gz YZDNCNYALSLRPG-SRVKXCTJSA-N 0 3 292.343 -1.005 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C)C(N)=O ZINC000996230791 656487931 /nfs/dbraw/zinc/48/79/31/656487931.db2.gz QPAUGXPKFBZGSW-NKWVEPMBSA-N 0 3 256.306 -1.828 20 0 CAADHN Cn1ncc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)c1N ZINC000995710884 656482680 /nfs/dbraw/zinc/48/26/80/656482680.db2.gz MWMMPJZBZUZJNO-SECBINFHSA-N 0 3 294.359 -1.072 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995729216 656483899 /nfs/dbraw/zinc/48/38/99/656483899.db2.gz QSVLLMRAZBZAEB-LLVKDONJSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)Cn2ncnn2)CC1(C)C)C(N)=O ZINC000995799486 656484050 /nfs/dbraw/zinc/48/40/50/656484050.db2.gz WWTOFCNIPVHZGI-DTWKUNHWSA-N 0 3 295.347 -1.627 20 0 CAADHN Cn1oc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)cc1=O ZINC000995717528 656484069 /nfs/dbraw/zinc/48/40/69/656484069.db2.gz ANPFZZAYGCFQKZ-VIFPVBQESA-N 0 3 296.327 -1.096 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)[nH]1 ZINC000995787060 656484553 /nfs/dbraw/zinc/48/45/53/656484553.db2.gz PZQUBQSTVIPMQJ-VIFPVBQESA-N 0 3 294.359 -1.032 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2COC(=O)N2)C[C@@H]1NCC(N)=O ZINC000995764390 656484773 /nfs/dbraw/zinc/48/47/73/656484773.db2.gz LOGNYWNYLFJHFR-SFYZADRCSA-N 0 3 284.316 -1.593 20 0 CAADHN CC1(C)CN(C(=O)Cn2ncnn2)C[C@H]1NCC(N)=O ZINC000995799521 656484829 /nfs/dbraw/zinc/48/48/29/656484829.db2.gz XJMJMPVZOXMGGF-MRVPVSSYSA-N 0 3 281.320 -2.015 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCNC2=O)C[C@H]1NCC(N)=O ZINC000996127619 656485537 /nfs/dbraw/zinc/48/55/37/656485537.db2.gz PTUHYDMWIAAKKZ-DTWKUNHWSA-N 0 3 282.344 -1.566 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1NCC(N)=O ZINC000995943767 656485597 /nfs/dbraw/zinc/48/55/97/656485597.db2.gz YXOVBGUVPBWPTL-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN CC1(C)CN(C(=O)c2cn[nH]n2)C[C@H]1NCC(N)=O ZINC000995991179 656485678 /nfs/dbraw/zinc/48/56/78/656485678.db2.gz ZDTWGJVIIYVTQR-MRVPVSSYSA-N 0 3 266.305 -1.270 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CCNC2=O)C[C@@H]1NCC(N)=O ZINC000996127617 656485730 /nfs/dbraw/zinc/48/57/30/656485730.db2.gz PTUHYDMWIAAKKZ-BDAKNGLRSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H](N[C@H]1CN(C(=O)Cn2nccn2)CC1(C)C)C(N)=O ZINC000995850285 656485809 /nfs/dbraw/zinc/48/58/09/656485809.db2.gz AQYKPAKXILPGAG-ZJUUUORDSA-N 0 3 294.359 -1.022 20 0 CAADHN CC1(C)CN(C(=O)C[C@@H]2CCNC2=O)C[C@@H]1NCC(N)=O ZINC000995890045 656485859 /nfs/dbraw/zinc/48/58/59/656485859.db2.gz YJLBXHPNUDRPLO-UWVGGRQHSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1NCC(N)=O ZINC000995890047 656486030 /nfs/dbraw/zinc/48/60/30/656486030.db2.gz YJLBXHPNUDRPLO-VHSXEESVSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@@H]1NCC(N)=O ZINC000996070528 656486189 /nfs/dbraw/zinc/48/61/89/656486189.db2.gz ABGJJTPKWOIVNY-XPTSAGLGSA-N 0 3 296.371 -1.176 20 0 CAADHN CN1C[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC1=O ZINC000995875371 656486472 /nfs/dbraw/zinc/48/64/72/656486472.db2.gz VWMNNOUZOKZAJJ-UWVGGRQHSA-N 0 3 296.371 -1.223 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996162442 656487055 /nfs/dbraw/zinc/48/70/55/656487055.db2.gz PXPPAOULMMYPPJ-UWVGGRQHSA-N 0 3 296.371 -1.081 20 0 CAADHN CC1(C)CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1NCC(N)=O ZINC000996196849 656487077 /nfs/dbraw/zinc/48/70/77/656487077.db2.gz KPCAWLLQSJNVRO-SECBINFHSA-N 0 3 293.327 -1.305 20 0 CAADHN Cn1nnc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)n1 ZINC000996173567 656487106 /nfs/dbraw/zinc/48/71/06/656487106.db2.gz YIEFCFQPGKXFQU-ZETCQYMHSA-N 0 3 281.320 -1.864 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C)C(N)=O ZINC000996230793 656487551 /nfs/dbraw/zinc/48/75/51/656487551.db2.gz QPAUGXPKFBZGSW-RNFRBKRXSA-N 0 3 256.306 -1.828 20 0 CAADHN CC1(C)CN(C(=O)C(N)=O)C[C@H]1N[C@H]1CCNC1=O ZINC000996230811 656487630 /nfs/dbraw/zinc/48/76/30/656487630.db2.gz QUTCVBKLZGWJML-JGVFFNPUSA-N 0 3 268.317 -1.813 20 0 CAADHN C[C@@H](N[C@H]1CN(C(=O)C(N)=O)CC1(C)C)C(N)=O ZINC000996230796 656487855 /nfs/dbraw/zinc/48/78/55/656487855.db2.gz QPAUGXPKFBZGSW-RQJHMYQMSA-N 0 3 256.306 -1.828 20 0 CAADHN CN1CCC[C@@H](N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O ZINC000996232387 656487991 /nfs/dbraw/zinc/48/79/91/656487991.db2.gz WXDDCBVIXCIHFL-ZJUUUORDSA-N 0 3 296.371 -1.081 20 0 CAADHN CC1(C)CN(C(=O)C(N)=O)C[C@H]1N[C@@H]1CCNC1=O ZINC000996230809 656488079 /nfs/dbraw/zinc/48/80/79/656488079.db2.gz QUTCVBKLZGWJML-HTQZYQBOSA-N 0 3 268.317 -1.813 20 0 CAADHN CN1CC[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1=O ZINC000996175063 656488150 /nfs/dbraw/zinc/48/81/50/656488150.db2.gz CVMHZCDOUGQMHI-UWVGGRQHSA-N 0 3 296.371 -1.223 20 0 CAADHN CN1C[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)NC1=O ZINC000996136850 656488199 /nfs/dbraw/zinc/48/81/99/656488199.db2.gz KKTIJBBVZLVYJL-IUCAKERBSA-N 0 3 297.359 -1.678 20 0 CAADHN CC1(C)CN(C(=O)C(N)=O)C[C@@H]1N[C@H]1CCC(=O)NC1=O ZINC000996232762 656488238 /nfs/dbraw/zinc/48/82/38/656488238.db2.gz YDHQUKZVUSYCGF-YUMQZZPRSA-N 0 3 296.327 -1.897 20 0 CAADHN CC[C@H](N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C)C(N)=O ZINC000996241305 656488648 /nfs/dbraw/zinc/48/86/48/656488648.db2.gz SWMHKGIECALJQL-JGVFFNPUSA-N 0 3 270.333 -1.438 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(N)=O ZINC000996311983 656489032 /nfs/dbraw/zinc/48/90/32/656489032.db2.gz UJGYOYDGEGINEF-HRDYMLBCSA-N 0 3 282.344 -1.580 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC1(C)C)C(N)=O ZINC000996243274 656489270 /nfs/dbraw/zinc/48/92/70/656489270.db2.gz WDWZCGGOOLAHOT-RKDXNWHRSA-N 0 3 296.371 -1.048 20 0 CAADHN CC1(C)CN(C(=O)c2cnon2)C[C@@H]1NCC(N)=O ZINC000996441700 656490070 /nfs/dbraw/zinc/49/00/70/656490070.db2.gz NMYDMOYUUHUFGZ-QMMMGPOBSA-N 0 3 267.289 -1.005 20 0 CAADHN CC1(C)CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1NCC(N)=O ZINC000996411727 656490212 /nfs/dbraw/zinc/49/02/12/656490212.db2.gz OJXUUEBMQRTALD-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN Cn1ncc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)n1 ZINC000996408202 656490250 /nfs/dbraw/zinc/49/02/50/656490250.db2.gz SHQKCZDVQDLLAD-SECBINFHSA-N 0 3 280.332 -1.259 20 0 CAADHN CC1(C)CN(C(=O)c2cnon2)C[C@H]1NCC(N)=O ZINC000996441699 656490274 /nfs/dbraw/zinc/49/02/74/656490274.db2.gz NMYDMOYUUHUFGZ-MRVPVSSYSA-N 0 3 267.289 -1.005 20 0 CAADHN CC1(C)CN(C(=O)c2nc[nH]n2)C[C@@H]1NCC(N)=O ZINC000996426708 656491262 /nfs/dbraw/zinc/49/12/62/656491262.db2.gz IKEJOVZJZVCRRH-ZETCQYMHSA-N 0 3 266.305 -1.270 20 0 CAADHN CC1(C)CN(C(=O)c2nc[n-]n2)C[C@@H]1[NH2+]CC(N)=O ZINC000996426708 656491274 /nfs/dbraw/zinc/49/12/74/656491274.db2.gz IKEJOVZJZVCRRH-ZETCQYMHSA-N 0 3 266.305 -1.270 20 0 CAADHN CC1(C)CN(C(=O)C[C@H]2CCC(=O)N2)C[C@@H]1NCC(N)=O ZINC000996411731 656491373 /nfs/dbraw/zinc/49/13/73/656491373.db2.gz OJXUUEBMQRTALD-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)Cn2cncn2)CC1(C)C)C(N)=O ZINC000996589867 656491745 /nfs/dbraw/zinc/49/17/45/656491745.db2.gz UNRSTUFXVIDKGW-NXEZZACHSA-N 0 3 294.359 -1.022 20 0 CAADHN C[C@H]([NH2+]C1CCN(C(=O)c2cn[n-]n2)CC1)C(N)=O ZINC000996752204 656494529 /nfs/dbraw/zinc/49/45/29/656494529.db2.gz NUBIQKIPSHXQRE-ZETCQYMHSA-N 0 3 266.305 -1.127 20 0 CAADHN NC(=O)C(=O)NC1CCC(N2CCN(CCO)CC2)CC1 ZINC000996789085 656495637 /nfs/dbraw/zinc/49/56/37/656495637.db2.gz OJTRBBPODFDXDV-UHFFFAOYSA-N 0 3 298.387 -1.491 20 0 CAADHN Cn1ccnc1CNC1CCN(C(=O)C(N)=O)CC1 ZINC000996940646 656497933 /nfs/dbraw/zinc/49/79/33/656497933.db2.gz HPUJOWDLMLYZDB-UHFFFAOYSA-N 0 3 265.317 -1.014 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1)N(C)C ZINC000997112076 656499697 /nfs/dbraw/zinc/49/96/97/656499697.db2.gz YNTQPZRNXJXBEW-WDEREUQCSA-N 0 3 296.371 -1.068 20 0 CAADHN O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997425659 656510282 /nfs/dbraw/zinc/51/02/82/656510282.db2.gz JKWKFXUPHGAFCP-NSHDSACASA-N 0 3 294.355 -1.455 20 0 CAADHN Cn1nnc(C(=O)NC2CN(C(=O)CN3CCCC3)C2)n1 ZINC000997875757 656521377 /nfs/dbraw/zinc/52/13/77/656521377.db2.gz MDTPUSBORXGIFX-UHFFFAOYSA-N 0 3 293.331 -1.754 20 0 CAADHN NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](NCCO)C1 ZINC000998283702 656530203 /nfs/dbraw/zinc/53/02/03/656530203.db2.gz DVGOOUHUXPOWGR-BQBZGAKWSA-N 0 3 283.250 -1.167 20 0 CAADHN CCC(=O)N1CCC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC000998317426 656531250 /nfs/dbraw/zinc/53/12/50/656531250.db2.gz QGKKQYMNFNGKMU-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CC(=O)N(C)C1CC(NCC(=O)N2CCNC(=O)C2)C1 ZINC000998324521 656533000 /nfs/dbraw/zinc/53/30/00/656533000.db2.gz PRPFUTOCKZKQRR-UHFFFAOYSA-N 0 3 282.344 -1.456 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000998463217 656534686 /nfs/dbraw/zinc/53/46/86/656534686.db2.gz FXSGCOGGIXQLNK-MRVPVSSYSA-N 0 3 279.300 -1.138 20 0 CAADHN O=C(Cn1cnnn1)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000998489904 656534895 /nfs/dbraw/zinc/53/48/95/656534895.db2.gz OFQPZWVDQWYDQN-ZJUUUORDSA-N 0 3 293.331 -1.858 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)Cn2cnnn2)C1)C(N)=O ZINC000998490693 656534919 /nfs/dbraw/zinc/53/49/19/656534919.db2.gz RTFZIVOJYZSBHH-IUCAKERBSA-N 0 3 281.320 -1.873 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000998463218 656535224 /nfs/dbraw/zinc/53/52/24/656535224.db2.gz FXSGCOGGIXQLNK-QMMMGPOBSA-N 0 3 279.300 -1.138 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998675384 656539817 /nfs/dbraw/zinc/53/98/17/656539817.db2.gz VGMQIOICPHZIIV-NXEZZACHSA-N 0 3 295.343 -1.911 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1)N(C)C ZINC000998674012 656540325 /nfs/dbraw/zinc/54/03/25/656540325.db2.gz LPHAJFVPIMYGNH-VHSXEESVSA-N 0 3 297.359 -1.665 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998675388 656540387 /nfs/dbraw/zinc/54/03/87/656540387.db2.gz VGMQIOICPHZIIV-UWVGGRQHSA-N 0 3 295.343 -1.911 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1)C(N)=O ZINC000998685622 656542622 /nfs/dbraw/zinc/54/26/22/656542622.db2.gz OBGKBRGZHWEZFE-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1)C(N)=O ZINC000998685619 656542926 /nfs/dbraw/zinc/54/29/26/656542926.db2.gz OBGKBRGZHWEZFE-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1)C(N)=O ZINC000998685623 656542989 /nfs/dbraw/zinc/54/29/89/656542989.db2.gz OBGKBRGZHWEZFE-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN NC(=O)C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000998714333 656548039 /nfs/dbraw/zinc/54/80/39/656548039.db2.gz IDWKSHFKHLRURP-UHFFFAOYSA-N 0 3 254.290 -2.106 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC000998777359 656560278 /nfs/dbraw/zinc/56/02/78/656560278.db2.gz SXIGYQSLHUCBDK-JTQLQIEISA-N 0 3 282.344 -1.325 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000998736265 656560914 /nfs/dbraw/zinc/56/09/14/656560914.db2.gz MWNSCMPOKLUKCS-DTWKUNHWSA-N 0 3 268.317 -1.669 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)CC(N)=O)C1)C(N)=O ZINC000998781067 656561445 /nfs/dbraw/zinc/56/14/45/656561445.db2.gz OSFBBMUJFGAIFV-HTQZYQBOSA-N 0 3 256.306 -1.684 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000998782372 656561886 /nfs/dbraw/zinc/56/18/86/656561886.db2.gz VFBUVZVBUMZESW-BDAKNGLRSA-N 0 3 268.317 -1.669 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC000998821934 656561987 /nfs/dbraw/zinc/56/19/87/656561987.db2.gz FGMJXTBOCILVDF-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN CN1CCO[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC000998821924 656562508 /nfs/dbraw/zinc/56/25/08/656562508.db2.gz FGMJXTBOCILVDF-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000998782379 656563379 /nfs/dbraw/zinc/56/33/79/656563379.db2.gz VFBUVZVBUMZESW-RKDXNWHRSA-N 0 3 268.317 -1.669 20 0 CAADHN CN1CC[C@H](N[C@H]2CCCN(C(=O)CC(N)=O)C2)C1=O ZINC000998781213 656563552 /nfs/dbraw/zinc/56/35/52/656563552.db2.gz PUJCZHDATTYTHG-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)CN2CN=NC2=O)C1)C(N)=O ZINC000998976849 656564189 /nfs/dbraw/zinc/56/41/89/656564189.db2.gz SGVDOSDNLQHUJX-IUCAKERBSA-N 0 3 296.331 -1.562 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000998967268 656564536 /nfs/dbraw/zinc/56/45/36/656564536.db2.gz ZISZCHWPLWKDTF-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC000999027557 656564560 /nfs/dbraw/zinc/56/45/60/656564560.db2.gz SJZCUBDDQRXKJL-LLVKDONJSA-N 0 3 282.344 -1.469 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@H](NCC(N)=O)C2)c1N ZINC000998989517 656565080 /nfs/dbraw/zinc/56/50/80/656565080.db2.gz MDIWGQRKYXTCJK-QMMMGPOBSA-N 0 3 280.332 -1.318 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)c1N ZINC000998989513 656565422 /nfs/dbraw/zinc/56/54/22/656565422.db2.gz MDIWGQRKYXTCJK-MRVPVSSYSA-N 0 3 280.332 -1.318 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCC[C@H](N[C@H](C)C(N)=O)C2)C1 ZINC000999019888 656565467 /nfs/dbraw/zinc/56/54/67/656565467.db2.gz GPNZXIMVYAVCOO-SKDRFNHKSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)CN2CCOCC2)C1)C(N)=O ZINC000998955590 656565499 /nfs/dbraw/zinc/56/54/99/656565499.db2.gz IVGBQNGCOAFNJK-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1)C(N)=O ZINC000999076157 656566055 /nfs/dbraw/zinc/56/60/55/656566055.db2.gz WPTPQDNTVNOHPS-RKDXNWHRSA-N 0 3 280.332 -1.117 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)n1 ZINC000999086102 656566104 /nfs/dbraw/zinc/56/61/04/656566104.db2.gz ZTBUVOMXNITQSV-UWVGGRQHSA-N 0 3 292.343 -1.102 20 0 CAADHN Cn1oc(C(=O)N2CCC[C@H](NCC(N)=O)C2)cc1=O ZINC000999030553 656566414 /nfs/dbraw/zinc/56/64/14/656566414.db2.gz XWGWCXNHEFPNBK-QMMMGPOBSA-N 0 3 282.300 -1.342 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)Cn2ncnn2)C1)C(N)=O ZINC000999159556 656566428 /nfs/dbraw/zinc/56/64/28/656566428.db2.gz BBMLMXSEYLLTDJ-BDAKNGLRSA-N 0 3 281.320 -1.873 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)c2ncn(C)n2)C1)C(N)=O ZINC000999076154 656566637 /nfs/dbraw/zinc/56/66/37/656566637.db2.gz WPTPQDNTVNOHPS-BDAKNGLRSA-N 0 3 280.332 -1.117 20 0 CAADHN O=C(Cn1ncnn1)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC000999160446 656566712 /nfs/dbraw/zinc/56/67/12/656566712.db2.gz GGAONAYPVVSXOF-UWVGGRQHSA-N 0 3 293.331 -1.858 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)c2cnnn2C)C1)C(N)=O ZINC000999057122 656566734 /nfs/dbraw/zinc/56/67/34/656566734.db2.gz JIJJAFOSWWUDBK-BDAKNGLRSA-N 0 3 280.332 -1.117 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000999075563 656566817 /nfs/dbraw/zinc/56/68/17/656566817.db2.gz WOVHHCJZLSRIDF-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1)C(N)=O ZINC000999091253 656566909 /nfs/dbraw/zinc/56/69/09/656566909.db2.gz YZIPRXXJGCVELV-RKDXNWHRSA-N 0 3 280.332 -1.117 20 0 CAADHN CCn1ncc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)n1 ZINC000999103477 656566937 /nfs/dbraw/zinc/56/69/37/656566937.db2.gz RZRVLIBKMVNAAM-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN Cn1oc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)cc1=O ZINC000999030550 656566979 /nfs/dbraw/zinc/56/69/79/656566979.db2.gz XWGWCXNHEFPNBK-MRVPVSSYSA-N 0 3 282.300 -1.342 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@H](NCC(N)=O)C2)n1 ZINC000999082704 656567000 /nfs/dbraw/zinc/56/70/00/656567000.db2.gz LGZOWRQMVKWARF-QMMMGPOBSA-N 0 3 266.305 -1.505 20 0 CAADHN Cc1nnc(CC(=O)N2CCC[C@@H](NCC(N)=O)C2)o1 ZINC000999092539 656567062 /nfs/dbraw/zinc/56/70/62/656567062.db2.gz ADMGYCHEDKSPRT-SECBINFHSA-N 0 3 281.316 -1.014 20 0 CAADHN Cc1nnc(CC(=O)N2CCC[C@@H](NCC(N)=O)C2)[nH]1 ZINC000999139822 656567175 /nfs/dbraw/zinc/56/71/75/656567175.db2.gz VQLCEVVHUFSMHC-SECBINFHSA-N 0 3 280.332 -1.278 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)nn1 ZINC000999081958 656567224 /nfs/dbraw/zinc/56/72/24/656567224.db2.gz GYTVJTYAMVNWFB-UWVGGRQHSA-N 0 3 292.343 -1.102 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CO[C@H]2CCOC2)C1 ZINC000999147162 656567230 /nfs/dbraw/zinc/56/72/30/656567230.db2.gz BOIVOHZQZMIXTB-QWRGUYRKSA-N 0 3 285.344 -1.142 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000999058639 656567255 /nfs/dbraw/zinc/56/72/55/656567255.db2.gz OBGBTCKHQMKMFS-JGVFFNPUSA-N 0 3 270.289 -1.839 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)c2ncn(C)n2)C1)C(N)=O ZINC000999076156 656567279 /nfs/dbraw/zinc/56/72/79/656567279.db2.gz WPTPQDNTVNOHPS-IUCAKERBSA-N 0 3 280.332 -1.117 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999076283 656567295 /nfs/dbraw/zinc/56/72/95/656567295.db2.gz YMRWEWNXAJZWFU-MRVPVSSYSA-N 0 3 266.305 -1.505 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)nn1 ZINC000999081964 656567356 /nfs/dbraw/zinc/56/73/56/656567356.db2.gz GYTVJTYAMVNWFB-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN O=C(Cn1ncnn1)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC000999160447 656567437 /nfs/dbraw/zinc/56/74/37/656567437.db2.gz GGAONAYPVVSXOF-VHSXEESVSA-N 0 3 293.331 -1.858 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)c2cnnn2C)C1)C(N)=O ZINC000999057130 656567649 /nfs/dbraw/zinc/56/76/49/656567649.db2.gz JIJJAFOSWWUDBK-RKDXNWHRSA-N 0 3 280.332 -1.117 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000999163916 656569579 /nfs/dbraw/zinc/56/95/79/656569579.db2.gz PEBFVEGZUAREOK-MRVPVSSYSA-N 0 3 267.293 -2.261 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC000999339047 656572064 /nfs/dbraw/zinc/57/20/64/656572064.db2.gz KDKFACOWOZKARY-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN CCN1C[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1=O ZINC000999300818 656572381 /nfs/dbraw/zinc/57/23/81/656572381.db2.gz ANQAOFSGPIYZKY-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CCN1C[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1=O ZINC000999300823 656572682 /nfs/dbraw/zinc/57/26/82/656572682.db2.gz ANQAOFSGPIYZKY-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN O=C(Cn1nccn1)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC000999259321 656572780 /nfs/dbraw/zinc/57/27/80/656572780.db2.gz XDGFRUBFUASEKS-WDEREUQCSA-N 0 3 292.343 -1.253 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)Cn2nccn2)C1)C(N)=O ZINC000999261666 656572971 /nfs/dbraw/zinc/57/29/71/656572971.db2.gz IWVDVNPMCOSRTF-NXEZZACHSA-N 0 3 280.332 -1.268 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N[C@H]2CCN(CCCO)C2)C1 ZINC001016143735 656573109 /nfs/dbraw/zinc/57/31/09/656573109.db2.gz BXHOFOUAAPKQDG-STQMWFEESA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C(=O)C(N)=O)C1CC(NCc2ccnn2C)C1 ZINC000999326696 656574234 /nfs/dbraw/zinc/57/42/34/656574234.db2.gz NMXZLHILZLKBIR-UHFFFAOYSA-N 0 3 265.317 -1.016 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC000999374983 656575468 /nfs/dbraw/zinc/57/54/68/656575468.db2.gz JPMUUHHOTDDJRH-VIFPVBQESA-N 0 3 293.327 -1.045 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000999419038 656576260 /nfs/dbraw/zinc/57/62/60/656576260.db2.gz FBIQCGLQDSCQMP-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CN2CCOCC2=O)C1 ZINC000999367606 656576362 /nfs/dbraw/zinc/57/63/62/656576362.db2.gz CMYHGBDMQLYOMN-JTQLQIEISA-N 0 3 298.343 -2.089 20 0 CAADHN CN1CC[C@H](CC(=O)N2CCC[C@H](NCC(N)=O)C2)C1=O ZINC000999454913 656576897 /nfs/dbraw/zinc/57/68/97/656576897.db2.gz GYUGNELQHDSQGV-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1)C(N)=O ZINC000999424575 656577131 /nfs/dbraw/zinc/57/71/31/656577131.db2.gz RHHQFMWSRPNCGZ-RKDXNWHRSA-N 0 3 284.360 -1.048 20 0 CAADHN NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC000999457048 656577281 /nfs/dbraw/zinc/57/72/81/656577281.db2.gz MKGNITPEERGHBF-QMMMGPOBSA-N 0 3 279.300 -1.138 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CN2CCOCC2=O)C1 ZINC000999367611 656577321 /nfs/dbraw/zinc/57/73/21/656577321.db2.gz CMYHGBDMQLYOMN-SNVBAGLBSA-N 0 3 298.343 -2.089 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1)C(N)=O ZINC000999424563 656577362 /nfs/dbraw/zinc/57/73/62/656577362.db2.gz RHHQFMWSRPNCGZ-BDAKNGLRSA-N 0 3 284.360 -1.048 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1)C(N)=O ZINC000999424570 656577666 /nfs/dbraw/zinc/57/76/66/656577666.db2.gz RHHQFMWSRPNCGZ-IUCAKERBSA-N 0 3 284.360 -1.048 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@H](NCC(N)=O)C2)cc1=O ZINC000999398761 656577735 /nfs/dbraw/zinc/57/77/35/656577735.db2.gz RSHRLXBQXZXTDQ-VIFPVBQESA-N 0 3 293.327 -1.540 20 0 CAADHN C[C@@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)S(C)(=O)=O ZINC000999512984 656577805 /nfs/dbraw/zinc/57/78/05/656577805.db2.gz AUFNWVFKYIMJQI-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC000999419619 656577847 /nfs/dbraw/zinc/57/78/47/656577847.db2.gz FBIQCGLQDSCQMP-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN CN1CC[C@H](CC(=O)N2CCC[C@@H](NCC(N)=O)C2)C1=O ZINC000999454912 656577887 /nfs/dbraw/zinc/57/78/87/656577887.db2.gz GYUGNELQHDSQGV-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CN1CC[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1=O ZINC000999532801 656578309 /nfs/dbraw/zinc/57/83/09/656578309.db2.gz SYDBNJYERKQTFL-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)cc1=O ZINC000999398750 656578367 /nfs/dbraw/zinc/57/83/67/656578367.db2.gz RSHRLXBQXZXTDQ-SECBINFHSA-N 0 3 293.327 -1.540 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC000999443409 656578457 /nfs/dbraw/zinc/57/84/57/656578457.db2.gz VYPBXHGSYSCWDR-VIFPVBQESA-N 0 3 279.300 -1.138 20 0 CAADHN CN1CC[C@@H](CC(=O)N2CCC[C@@H](NCC(N)=O)C2)C1=O ZINC000999454916 656578525 /nfs/dbraw/zinc/57/85/25/656578525.db2.gz GYUGNELQHDSQGV-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CN1CC[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1=O ZINC000999532806 656578738 /nfs/dbraw/zinc/57/87/38/656578738.db2.gz SYDBNJYERKQTFL-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]([NH2+]C1CC(N(C)C(=O)c2nc[n-]n2)C1)C(N)=O ZINC000999574480 656579066 /nfs/dbraw/zinc/57/90/66/656579066.db2.gz YRSOFNJQQSRSHY-KKMMWDRVSA-N 0 3 266.305 -1.129 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CN2CCCNC2=O)C1 ZINC000999604678 656579098 /nfs/dbraw/zinc/57/90/98/656579098.db2.gz XNBCMYKDWZQLTR-SNVBAGLBSA-N 0 3 297.359 -1.532 20 0 CAADHN C[C@@H]([NH2+]C1CC(N(C)C(=O)c2nc[n-]n2)C1)C(N)=O ZINC000999574479 656580070 /nfs/dbraw/zinc/58/00/70/656580070.db2.gz YRSOFNJQQSRSHY-JECWYVHBSA-N 0 3 266.305 -1.129 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000999574379 656580771 /nfs/dbraw/zinc/58/07/71/656580771.db2.gz UYGGTRRMJMOMAT-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)ncc1=O ZINC000999749751 656581588 /nfs/dbraw/zinc/58/15/88/656581588.db2.gz DCJJXDPAGJROHD-SECBINFHSA-N 0 3 293.327 -1.540 20 0 CAADHN C[C@H]1CCCN1CC(=O)NC1CN(C(=O)CC(N)=O)C1 ZINC000999840396 656583244 /nfs/dbraw/zinc/58/32/44/656583244.db2.gz RPKSCNNVZDUJSY-VIFPVBQESA-N 0 3 282.344 -1.327 20 0 CAADHN Cn1c(C(=O)N2CCC[C@H](NCC(N)=O)C2)c[nH]c1=O ZINC000999892073 656583363 /nfs/dbraw/zinc/58/33/63/656583363.db2.gz XHXICLIPEPKHKC-QMMMGPOBSA-N 0 3 281.316 -1.195 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC000999816374 656583814 /nfs/dbraw/zinc/58/38/14/656583814.db2.gz YXNYUKBLHOFLRA-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC000999816372 656584563 /nfs/dbraw/zinc/58/45/63/656584563.db2.gz YXNYUKBLHOFLRA-MNOVXSKESA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC000999888984 656584687 /nfs/dbraw/zinc/58/46/87/656584687.db2.gz BRRLWGMDGOHPHM-VWYCJHECSA-N 0 3 294.355 -1.184 20 0 CAADHN CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC000999871584 656586242 /nfs/dbraw/zinc/58/62/42/656586242.db2.gz NXHOEJWWHOTZAA-RCWTZXSCSA-N 0 3 294.355 -1.186 20 0 CAADHN CN1C[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)NC1=O ZINC000999892271 656586341 /nfs/dbraw/zinc/58/63/41/656586341.db2.gz ZGTGYDWLSAZNDV-RKDXNWHRSA-N 0 3 283.332 -1.924 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2CN(C(=O)C(N)=O)C2)C1 ZINC000999872066 656586624 /nfs/dbraw/zinc/58/66/24/656586624.db2.gz QEEIZLFXJFFXOC-QMMMGPOBSA-N 0 3 268.317 -1.860 20 0 CAADHN CC1(C)CCN(CC(=O)NC2CN(C(=O)C(N)=O)C2)C1 ZINC000999896552 656586699 /nfs/dbraw/zinc/58/66/99/656586699.db2.gz SGAXNTZLQDNPLO-UHFFFAOYSA-N 0 3 282.344 -1.469 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@H](NCC(N)=O)C2)n1 ZINC000999919394 656587491 /nfs/dbraw/zinc/58/74/91/656587491.db2.gz DFCBGHIGCCEJQO-ZETCQYMHSA-N 0 3 267.293 -2.110 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999922706 656588018 /nfs/dbraw/zinc/58/80/18/656588018.db2.gz PTQPUGSVWYECQC-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CC1(C)CCN(CC(=O)NC2CN(C(=O)CC(N)=O)C2)C1 ZINC000999905547 656588362 /nfs/dbraw/zinc/58/83/62/656588362.db2.gz PLGWVTXRDZFNPY-UHFFFAOYSA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)n1 ZINC000999924783 656589612 /nfs/dbraw/zinc/58/96/12/656589612.db2.gz ZDZWVKQONPSAEZ-BDAKNGLRSA-N 0 3 293.331 -1.707 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)n1 ZINC000999924785 656590309 /nfs/dbraw/zinc/59/03/09/656590309.db2.gz ZDZWVKQONPSAEZ-DTWKUNHWSA-N 0 3 293.331 -1.707 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000999923945 656590496 /nfs/dbraw/zinc/59/04/96/656590496.db2.gz WNISNHXGBXREHN-VWYCJHECSA-N 0 3 294.355 -1.471 20 0 CAADHN CN1CC[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1=O ZINC000999945345 656590523 /nfs/dbraw/zinc/59/05/23/656590523.db2.gz CJLSFACEEGEJGP-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)n1 ZINC000999924786 656590700 /nfs/dbraw/zinc/59/07/00/656590700.db2.gz ZDZWVKQONPSAEZ-IUCAKERBSA-N 0 3 293.331 -1.707 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000999949514 656590876 /nfs/dbraw/zinc/59/08/76/656590876.db2.gz MACBZYVVNLJDHX-SVDPJWKOSA-N 0 3 267.329 -1.055 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001000051687 656591486 /nfs/dbraw/zinc/59/14/86/656591486.db2.gz IABXHKZEEYWQGK-JGVFFNPUSA-N 0 3 282.300 -2.143 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000060097 656591665 /nfs/dbraw/zinc/59/16/65/656591665.db2.gz FFKLTEIPPNSPQF-BDAKNGLRSA-N 0 3 268.317 -1.717 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1)C(N)=O ZINC001000052717 656591916 /nfs/dbraw/zinc/59/19/16/656591916.db2.gz MPBWCFDTIKBDKL-RKDXNWHRSA-N 0 3 282.344 -1.294 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999984843 656591969 /nfs/dbraw/zinc/59/19/69/656591969.db2.gz PTQPUGSVWYECQC-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001000053061 656592049 /nfs/dbraw/zinc/59/20/49/656592049.db2.gz OVKOQJHKWNYXQP-IUCAKERBSA-N 0 3 268.317 -1.669 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001000054183 656592674 /nfs/dbraw/zinc/59/26/74/656592674.db2.gz CCWLFWFCUGCXNN-JTQLQIEISA-N 0 3 298.343 -2.089 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001000053060 656593092 /nfs/dbraw/zinc/59/30/92/656593092.db2.gz OVKOQJHKWNYXQP-DTWKUNHWSA-N 0 3 268.317 -1.669 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001000059629 656594397 /nfs/dbraw/zinc/59/43/97/656594397.db2.gz XEAAAUBLUAKUNG-HTQZYQBOSA-N 0 3 254.290 -2.059 20 0 CAADHN Cn1cncc1CN[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000056646 656594720 /nfs/dbraw/zinc/59/47/20/656594720.db2.gz KKWSOPFYBYQLPJ-SECBINFHSA-N 0 3 265.317 -1.014 20 0 CAADHN Cn1cc(CN[C@H]2CCCN(C(=O)C(N)=O)C2)cn1 ZINC001000057346 656595015 /nfs/dbraw/zinc/59/50/15/656595015.db2.gz NSHPKBMRNKJJMK-JTQLQIEISA-N 0 3 265.317 -1.014 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1)C(N)=O ZINC001000024941 656595060 /nfs/dbraw/zinc/59/50/60/656595060.db2.gz GFMRDSUCIODOIW-IUCAKERBSA-N 0 3 293.327 -1.162 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@H](NCC(N)=O)C2)[nH]c1=O ZINC001000095872 656595368 /nfs/dbraw/zinc/59/53/68/656595368.db2.gz WNYIUAOZBIHHBS-QMMMGPOBSA-N 0 3 281.316 -1.195 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001000059636 656596028 /nfs/dbraw/zinc/59/60/28/656596028.db2.gz XEAAAUBLUAKUNG-YUMQZZPRSA-N 0 3 254.290 -2.059 20 0 CAADHN CC[C@@H](N[C@H]1CCCN(C(=O)C(N)=O)C1)C(N)=O ZINC001000066188 656597176 /nfs/dbraw/zinc/59/71/76/656597176.db2.gz VZDXQCAUWNBLQV-JGVFFNPUSA-N 0 3 256.306 -1.684 20 0 CAADHN CC[C@H](N[C@H]1CCCN(C(=O)C(N)=O)C1)C(N)=O ZINC001000066194 656598053 /nfs/dbraw/zinc/59/80/53/656598053.db2.gz VZDXQCAUWNBLQV-YUMQZZPRSA-N 0 3 256.306 -1.684 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946526650 656598285 /nfs/dbraw/zinc/59/82/85/656598285.db2.gz CNCUUIDHFCMQQS-AOOOYVTPSA-N 0 3 282.344 -1.483 20 0 CAADHN NC(=O)C1(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001000064488 656598475 /nfs/dbraw/zinc/59/84/75/656598475.db2.gz OUZCHESAYUFVAY-VHSXEESVSA-N 0 3 294.355 -1.279 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001000187018 656601264 /nfs/dbraw/zinc/60/12/64/656601264.db2.gz IYKWGYFEYBCRGO-KXUCPTDWSA-N 0 3 298.343 -1.915 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001000187025 656602301 /nfs/dbraw/zinc/60/23/01/656602301.db2.gz IYKWGYFEYBCRGO-LPEHRKFASA-N 0 3 298.343 -1.915 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001000203514 656603279 /nfs/dbraw/zinc/60/32/79/656603279.db2.gz DLBHCTYYGMXSIB-OUAUKWLOSA-N 0 3 296.371 -1.046 20 0 CAADHN Cn1ncc(CCC(=O)N2CCC[C@@H](NCC(N)=O)C2)n1 ZINC001000213530 656604010 /nfs/dbraw/zinc/60/40/10/656604010.db2.gz FKEVUURGADOAQK-LLVKDONJSA-N 0 3 294.359 -1.186 20 0 CAADHN NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)CN1CCCC1 ZINC001032783639 656605308 /nfs/dbraw/zinc/60/53/08/656605308.db2.gz KCHOMHPOYIPIAV-QWRGUYRKSA-N 0 3 266.345 -1.147 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001016198917 656605750 /nfs/dbraw/zinc/60/57/50/656605750.db2.gz CRRAIYWCSCGIQS-ZJUUUORDSA-N 0 3 298.343 -1.548 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CCN2CCOCC2)C1 ZINC001000463786 656606528 /nfs/dbraw/zinc/60/65/28/656606528.db2.gz XKBVAOBFDSTUCS-GFCCVEGCSA-N 0 3 298.387 -1.225 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)n1 ZINC001000465184 656606800 /nfs/dbraw/zinc/60/68/00/656606800.db2.gz OVZUJLPABIBHBY-NXEZZACHSA-N 0 3 292.343 -1.102 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001000440469 656606909 /nfs/dbraw/zinc/60/69/09/656606909.db2.gz AZZSSXLVNNNZHM-UWVGGRQHSA-N 0 3 282.344 -1.279 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1)C(N)=O ZINC001000456500 656606923 /nfs/dbraw/zinc/60/69/23/656606923.db2.gz KECLVRIKOUXYFJ-RKDXNWHRSA-N 0 3 280.332 -1.117 20 0 CAADHN C[C@H]([NH2+][C@H]1CCCN(C(=O)c2nc[n-]n2)C1)C(N)=O ZINC001000490917 656606962 /nfs/dbraw/zinc/60/69/62/656606962.db2.gz QDOGYKDSCIQLQZ-YUMQZZPRSA-N 0 3 266.305 -1.127 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001000492402 656606987 /nfs/dbraw/zinc/60/69/87/656606987.db2.gz YTBXAVNKBRQQNC-RKDXNWHRSA-N 0 3 278.316 -1.113 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)n1 ZINC001000462814 656607041 /nfs/dbraw/zinc/60/70/41/656607041.db2.gz BPGWLWLLJKWVAU-MRVPVSSYSA-N 0 3 266.305 -1.505 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@H](NCC(N)=O)C2)n1 ZINC001000462815 656607529 /nfs/dbraw/zinc/60/75/29/656607529.db2.gz BPGWLWLLJKWVAU-QMMMGPOBSA-N 0 3 266.305 -1.505 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)c2cnn(C)n2)C1)C(N)=O ZINC001000456495 656607606 /nfs/dbraw/zinc/60/76/06/656607606.db2.gz KECLVRIKOUXYFJ-IUCAKERBSA-N 0 3 280.332 -1.117 20 0 CAADHN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)c2nc[n-]n2)C1)C(N)=O ZINC001000490911 656607758 /nfs/dbraw/zinc/60/77/58/656607758.db2.gz QDOGYKDSCIQLQZ-HTQZYQBOSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)CCn2cnnn2)C1)C(N)=O ZINC001000534774 656608280 /nfs/dbraw/zinc/60/82/80/656608280.db2.gz YSPOVWPGJFVNNC-VHSXEESVSA-N 0 3 295.347 -1.482 20 0 CAADHN CCn1cc(C(=O)N2CCC[C@H](NCC(N)=O)C2)nn1 ZINC001000566835 656608646 /nfs/dbraw/zinc/60/86/46/656608646.db2.gz QOFAHTNYUIKRJI-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001000508149 656608666 /nfs/dbraw/zinc/60/86/66/656608666.db2.gz WLEULVSJNWIZFR-ZETCQYMHSA-N 0 3 253.262 -1.251 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)CCn2cnnn2)C1)C(N)=O ZINC001000534773 656608684 /nfs/dbraw/zinc/60/86/84/656608684.db2.gz YSPOVWPGJFVNNC-UWVGGRQHSA-N 0 3 295.347 -1.482 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001000555297 656609543 /nfs/dbraw/zinc/60/95/43/656609543.db2.gz BSALLUSHMBDFTD-VIFPVBQESA-N 0 3 293.327 -1.207 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)CCn2cnnn2)C1)C(N)=O ZINC001000534775 656609608 /nfs/dbraw/zinc/60/96/08/656609608.db2.gz YSPOVWPGJFVNNC-ZJUUUORDSA-N 0 3 295.347 -1.482 20 0 CAADHN Cc1nonc1CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001000589057 656611298 /nfs/dbraw/zinc/61/12/98/656611298.db2.gz HVJHQZRCNRPJHX-VIFPVBQESA-N 0 3 281.316 -1.014 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001000938630 656613515 /nfs/dbraw/zinc/61/35/15/656613515.db2.gz PUACLRACRHYDEX-VIFPVBQESA-N 0 3 293.327 -1.207 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001000872869 656613766 /nfs/dbraw/zinc/61/37/66/656613766.db2.gz AHORKLSXUOPVPX-SECBINFHSA-N 0 3 296.327 -1.799 20 0 CAADHN O=C(Cn1cncn1)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001000859358 656613866 /nfs/dbraw/zinc/61/38/66/656613866.db2.gz AALPQFZLIUQACC-WDEREUQCSA-N 0 3 292.343 -1.253 20 0 CAADHN Cn1nc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)ccc1=O ZINC001000851650 656614026 /nfs/dbraw/zinc/61/40/26/656614026.db2.gz ZVSBUDALOPINMX-SECBINFHSA-N 0 3 293.327 -1.540 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001000868342 656614465 /nfs/dbraw/zinc/61/44/65/656614465.db2.gz YQRLIUCSDTWKQO-MRVPVSSYSA-N 0 3 297.315 -2.396 20 0 CAADHN O=C(NCC1=CCN(CCO)CC1)[C@H]1CCNC1=O ZINC001001042618 656614977 /nfs/dbraw/zinc/61/49/77/656614977.db2.gz CQEPHEPTRUVRST-NSHDSACASA-N 0 3 267.329 -1.137 20 0 CAADHN NC(=O)Cn1cc(C(=O)N2CCC[C@@H](NCCF)C2)nn1 ZINC001000998481 656615004 /nfs/dbraw/zinc/61/50/04/656615004.db2.gz DVUGQTCCYANXLA-SECBINFHSA-N 0 3 298.322 -1.073 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@H](NCC(N)=O)C2)n(C)c1=O ZINC001001026562 656615102 /nfs/dbraw/zinc/61/51/02/656615102.db2.gz UWKQTJJEWSBEPM-VIFPVBQESA-N 0 3 295.343 -1.597 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000973851 656615963 /nfs/dbraw/zinc/61/59/63/656615963.db2.gz XDJFYLFBRTYWAQ-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN CN1C[C@@H](C(=O)NCC2=CCN(CCO)CC2)NC1=O ZINC001001041587 656616126 /nfs/dbraw/zinc/61/61/26/656616126.db2.gz VPMDRMWWUTYQKQ-NSHDSACASA-N 0 3 282.344 -1.249 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001001094845 656616832 /nfs/dbraw/zinc/61/68/32/656616832.db2.gz JJJOUUFJUNAGOC-IUCAKERBSA-N 0 3 296.327 -1.895 20 0 CAADHN Cn1nnc(C(=O)NCC2=CCN(CCO)CC2)n1 ZINC001001055597 656616892 /nfs/dbraw/zinc/61/68/92/656616892.db2.gz FVFULZXXGPIREO-UHFFFAOYSA-N 0 3 266.305 -1.436 20 0 CAADHN C[C@@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)N1CCOCC1 ZINC001001086387 656617061 /nfs/dbraw/zinc/61/70/61/656617061.db2.gz LYKPGDPFTVDZPV-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN Cn1cc(CCC(=O)N2CCC[C@H](NCC(N)=O)C2)nn1 ZINC001001069151 656617435 /nfs/dbraw/zinc/61/74/35/656617435.db2.gz FWNPHDWKHFGTRJ-JTQLQIEISA-N 0 3 294.359 -1.186 20 0 CAADHN CN1CC(C(=O)NCC2=CCN(CC(N)=O)CC2)=NC1=O ZINC001001119897 656619230 /nfs/dbraw/zinc/61/92/30/656619230.db2.gz IQMSBLYRTKSALH-UHFFFAOYSA-N 0 3 293.327 -1.027 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCC2=CCN(CCO)CC2)O1 ZINC001001142637 656619339 /nfs/dbraw/zinc/61/93/39/656619339.db2.gz ZRGYWRRBVJWSBO-NWDGAFQWSA-N 0 3 297.355 -1.240 20 0 CAADHN CNC(=O)CN1CCC(CNC(=O)c2nnc[nH]2)CC1 ZINC001001952792 656626228 /nfs/dbraw/zinc/62/62/28/656626228.db2.gz LNHYATLHLCLQNE-UHFFFAOYSA-N 0 3 280.332 -1.008 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001032824636 656628321 /nfs/dbraw/zinc/62/83/21/656628321.db2.gz GNHNPVYGKQLJMS-LPEHRKFASA-N 0 3 255.318 -1.164 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CCN(CCCO)C1 ZINC001016303399 656629383 /nfs/dbraw/zinc/62/93/83/656629383.db2.gz WGZDNAXUMPKCNJ-STQMWFEESA-N 0 3 299.371 -1.193 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CCN(CCCO)C1 ZINC001016303398 656629743 /nfs/dbraw/zinc/62/97/43/656629743.db2.gz WGZDNAXUMPKCNJ-QWHCGFSZSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[C@]3(O)C2)CC1=O ZINC000921895380 656629846 /nfs/dbraw/zinc/62/98/46/656629846.db2.gz DYJHQOFGLMXHPY-SUNKGSAMSA-N 0 3 281.356 -1.010 20 0 CAADHN CN1CCO[C@@H](C(=O)NC2CCN(CCO)CC2)C1 ZINC001002535143 656630550 /nfs/dbraw/zinc/63/05/50/656630550.db2.gz QDIKESSPWBDOGS-GFCCVEGCSA-N 0 3 271.361 -1.110 20 0 CAADHN CCCN1CCC[C@@H]1C(=O)NCC1CN(C(=O)C(N)=O)C1 ZINC001002463015 656631163 /nfs/dbraw/zinc/63/11/63/656631163.db2.gz ZHSMMHUILFABFU-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN O=C(CN1CCOCC1)NC1CCN(CCO)CC1 ZINC001002632739 656631715 /nfs/dbraw/zinc/63/17/15/656631715.db2.gz BLZKFDRPGILGCH-UHFFFAOYSA-N 0 3 271.361 -1.109 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@H]1COC(=O)N1 ZINC001002722243 656633492 /nfs/dbraw/zinc/63/34/92/656633492.db2.gz LGZAUIOZOGZZAM-SECBINFHSA-N 0 3 257.290 -1.332 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000922122771 656640398 /nfs/dbraw/zinc/64/03/98/656640398.db2.gz IQHXEIRLTGMSTR-IUCAKERBSA-N 0 3 278.378 -1.073 20 0 CAADHN COC[C@H](C)N1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831511 656635124 /nfs/dbraw/zinc/63/51/24/656635124.db2.gz JPMSSGYLGSDURK-GUBZILKMSA-N 0 3 298.343 -1.190 20 0 CAADHN CN(CCNC(=O)[C@@]1(O)CCOC1)CCOCCO ZINC000922114201 656639065 /nfs/dbraw/zinc/63/90/65/656639065.db2.gz RMTUWIIXNMLYJW-GFCCVEGCSA-N 0 3 276.333 -1.805 20 0 CAADHN CN(CCNC(=O)[C@H]1CCCC(=O)N1)CCOCCO ZINC000922118046 656639544 /nfs/dbraw/zinc/63/95/44/656639544.db2.gz ZZKZRKLFVJKXOR-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN CO[C@]1(C(=O)NCCN(C)CCOCCO)CCOC1 ZINC000922117545 656639642 /nfs/dbraw/zinc/63/96/42/656639642.db2.gz RLZZPZQVGLFFIF-CYBMUJFWSA-N 0 3 290.360 -1.151 20 0 CAADHN CN(CCNC(=O)[C@@H](O)C1CC1)CCOCCO ZINC000922113793 656639692 /nfs/dbraw/zinc/63/96/92/656639692.db2.gz PRFZEPMEFZIQKQ-NSHDSACASA-N 0 3 260.334 -1.186 20 0 CAADHN CN(CCNC(=O)[C@]1(C)CCNC1=O)CCOCCO ZINC000922113713 656640038 /nfs/dbraw/zinc/64/00/38/656640038.db2.gz ZIGFQXPVEKBVKG-CYBMUJFWSA-N 0 3 287.360 -1.431 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032832930 656640061 /nfs/dbraw/zinc/64/00/61/656640061.db2.gz GNHNPVYGKQLJMS-GUBZILKMSA-N 0 3 255.318 -1.164 20 0 CAADHN C/C=C/[C@H](O)C(=O)NCCN(C)CCOCCO ZINC000922111868 656640331 /nfs/dbraw/zinc/64/03/31/656640331.db2.gz NPEZZPPOXMEWGY-UFFNRZRYSA-N 0 3 260.334 -1.020 20 0 CAADHN CN(CCNC(=O)[C@H]1CN(C)C(=O)N1)CCOCCO ZINC000922113116 656640881 /nfs/dbraw/zinc/64/08/81/656640881.db2.gz KDKIFHKKSCJFHL-SNVBAGLBSA-N 0 3 288.348 -1.933 20 0 CAADHN CN(CCNC(=O)[C@H]1CN(C)CCO1)CCOCCO ZINC000922119865 656641020 /nfs/dbraw/zinc/64/10/20/656641020.db2.gz YOBJSMGGADOKIW-GFCCVEGCSA-N 0 3 289.376 -1.626 20 0 CAADHN C/C=C/[C@@H](O)C(=O)NCCN(C)CCOCCO ZINC000922111867 656641202 /nfs/dbraw/zinc/64/12/02/656641202.db2.gz NPEZZPPOXMEWGY-PGLGOXFNSA-N 0 3 260.334 -1.020 20 0 CAADHN CN(CCNC(=O)CN1CCOCC1)CCOCCO ZINC000922117003 656641373 /nfs/dbraw/zinc/64/13/73/656641373.db2.gz FHHUVUIWTIPEEJ-UHFFFAOYSA-N 0 3 289.376 -1.625 20 0 CAADHN O=C(CN1CCOCC1=O)NC1CCN(CCO)CC1 ZINC001003034179 656642681 /nfs/dbraw/zinc/64/26/81/656642681.db2.gz YWKHYFNSCLTWCA-UHFFFAOYSA-N 0 3 285.344 -1.582 20 0 CAADHN CN(CCNC(=O)[C@@H]1COCCO1)CCOCCO ZINC000922123643 656642719 /nfs/dbraw/zinc/64/27/19/656642719.db2.gz NSLITSRLFGRRCQ-NSHDSACASA-N 0 3 276.333 -1.541 20 0 CAADHN CN(CCNC(=O)[C@@H]1COC(=O)N1C)CCOCCO ZINC000922127802 656645026 /nfs/dbraw/zinc/64/50/26/656645026.db2.gz DAZFQANFUBIAIY-JTQLQIEISA-N 0 3 289.332 -1.506 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001032834255 656646489 /nfs/dbraw/zinc/64/64/89/656646489.db2.gz GNHNPVYGKQLJMS-OPRDCNLKSA-N 0 3 255.318 -1.164 20 0 CAADHN Cn1cnn(CC(=O)NC2CCN(CCO)CC2)c1=O ZINC001003208131 656646582 /nfs/dbraw/zinc/64/65/82/656646582.db2.gz KGCGJJPLSDNRCX-UHFFFAOYSA-N 0 3 283.332 -1.845 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)NC1CCN(CCO)CC1 ZINC001003259581 656647975 /nfs/dbraw/zinc/64/79/75/656647975.db2.gz PTALRXJNSAWIPG-UHFFFAOYSA-N 0 3 296.327 -1.478 20 0 CAADHN Cn1cc(C(=O)NC2CCN(CCO)CC2)ncc1=O ZINC001003339368 656649679 /nfs/dbraw/zinc/64/96/79/656649679.db2.gz UQHWWQLGMFBTMD-UHFFFAOYSA-N 0 3 280.328 -1.033 20 0 CAADHN CN1C[C@@H](C(=O)NC2CCN(CCO)CC2)NC1=O ZINC001003437084 656651801 /nfs/dbraw/zinc/65/18/01/656651801.db2.gz NYPWDPFGORDHJZ-JTQLQIEISA-N 0 3 270.333 -1.417 20 0 CAADHN C[C@@H](O)CN1CCC(NC(=O)c2nnn(C)n2)CC1 ZINC001003451980 656652155 /nfs/dbraw/zinc/65/21/55/656652155.db2.gz ADJMKAOHQARJOH-MRVPVSSYSA-N 0 3 268.321 -1.215 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@H]1CCNC1=O ZINC001003431058 656652303 /nfs/dbraw/zinc/65/23/03/656652303.db2.gz CANGGSPAHFPDCX-JTQLQIEISA-N 0 3 255.318 -1.305 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@H]1CNC(=O)N1 ZINC001003535535 656653680 /nfs/dbraw/zinc/65/36/80/656653680.db2.gz KZJORTRWSZKTSN-SECBINFHSA-N 0 3 256.306 -1.759 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@@H]1CNC(=O)N1 ZINC001003535553 656654057 /nfs/dbraw/zinc/65/40/57/656654057.db2.gz KZJORTRWSZKTSN-VIFPVBQESA-N 0 3 256.306 -1.759 20 0 CAADHN COCCN1CCC(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001003530605 656654343 /nfs/dbraw/zinc/65/43/43/656654343.db2.gz FYUFURTUCLWEGO-JTQLQIEISA-N 0 3 270.333 -1.105 20 0 CAADHN NC(=O)C(=O)NC1CCN(CCn2cccn2)CC1 ZINC001003539632 656655712 /nfs/dbraw/zinc/65/57/12/656655712.db2.gz LVQSBUQRKMYARF-UHFFFAOYSA-N 0 3 265.317 -1.051 20 0 CAADHN CN1CC(C(=O)NC2CCN(CC(N)=O)CC2)=NC1=O ZINC001003564026 656658141 /nfs/dbraw/zinc/65/81/41/656658141.db2.gz OUBSWEMTVDVOHK-UHFFFAOYSA-N 0 3 281.316 -1.195 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(CCO)CC1 ZINC001003638907 656662128 /nfs/dbraw/zinc/66/21/28/656662128.db2.gz BBWNYEPGPPVTRI-ZJUUUORDSA-N 0 3 255.318 -1.319 20 0 CAADHN O=C(NC1CCN(CCO)CC1)C1CC(=O)NC(=O)C1 ZINC001003788154 656664365 /nfs/dbraw/zinc/66/43/65/656664365.db2.gz QORLCISYBXYOQT-UHFFFAOYSA-N 0 3 283.328 -1.388 20 0 CAADHN CN(C(=O)Cn1cnnn1)[C@@H]1CCN(CCCO)C1 ZINC001032894075 656666020 /nfs/dbraw/zinc/66/60/20/656666020.db2.gz UDOQGTWGIXKAKH-SNVBAGLBSA-N 0 3 268.321 -1.412 20 0 CAADHN CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001032969717 656667714 /nfs/dbraw/zinc/66/77/14/656667714.db2.gz ZBJSDZGPUPCDNB-NXEZZACHSA-N 0 3 255.318 -1.210 20 0 CAADHN CN(C(=O)[C@@H]1CN(C)CCO1)[C@@H]1CCN(CCO)C1 ZINC001032981365 656669562 /nfs/dbraw/zinc/66/95/62/656669562.db2.gz RKPLCSTWNDSMFJ-NEPJUHHUSA-N 0 3 271.361 -1.158 20 0 CAADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033023853 656673897 /nfs/dbraw/zinc/67/38/97/656673897.db2.gz RNBYSENSCRMPNK-UWVGGRQHSA-N 0 3 283.332 -1.103 20 0 CAADHN O=C(Cn1cncn1)NC1CCN(CCO)CC1 ZINC001004107592 656674049 /nfs/dbraw/zinc/67/40/49/656674049.db2.gz PXKGFTJUWVSFBN-UHFFFAOYSA-N 0 3 253.306 -1.149 20 0 CAADHN Cc1nn(CC(=O)NC2CCN(CCO)CC2)c(=O)n1C ZINC001004074909 656674371 /nfs/dbraw/zinc/67/43/71/656674371.db2.gz MVBWASCLOCUKIP-UHFFFAOYSA-N 0 3 297.359 -1.537 20 0 CAADHN NC(=O)c1nccnc1C(=O)NC1CCN(CCO)CC1 ZINC001004111028 656674458 /nfs/dbraw/zinc/67/44/58/656674458.db2.gz SVGAZPKMZLGXJM-UHFFFAOYSA-N 0 3 293.327 -1.238 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@@H]2CCN(CCO)C2)C1 ZINC001033037088 656675064 /nfs/dbraw/zinc/67/50/64/656675064.db2.gz DNBOLCJHYWQHRH-GFCCVEGCSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C(=O)[C@@H]1COC(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033044694 656675807 /nfs/dbraw/zinc/67/58/07/656675807.db2.gz GGBQMVVMOTXUEO-BDAKNGLRSA-N 0 3 257.290 -1.380 20 0 CAADHN O=C(CN1C(=O)CCC1=O)NC1CCN(CCO)CC1 ZINC001004112564 656676155 /nfs/dbraw/zinc/67/61/55/656676155.db2.gz FOEOCPWSVFAMHM-UHFFFAOYSA-N 0 3 283.328 -1.292 20 0 CAADHN CN(C(=O)[C@@H]1COC(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033044696 656676237 /nfs/dbraw/zinc/67/62/37/656676237.db2.gz GGBQMVVMOTXUEO-IUCAKERBSA-N 0 3 257.290 -1.380 20 0 CAADHN NC(=O)Cn1cc(C(=O)NC2CCN(CCO)CC2)nn1 ZINC001004207708 656679342 /nfs/dbraw/zinc/67/93/42/656679342.db2.gz YWHIBEZXCYFFCT-UHFFFAOYSA-N 0 3 296.331 -2.050 20 0 CAADHN CN(C(=O)Cn1ncnn1)[C@@H]1CCN(CCCO)C1 ZINC001033087254 656681253 /nfs/dbraw/zinc/68/12/53/656681253.db2.gz ONAPMVWTYYSFQS-SNVBAGLBSA-N 0 3 268.321 -1.412 20 0 CAADHN CN(C(=O)Cn1ncnn1)[C@@H]1CCN(CCO)C1 ZINC001033086432 656681647 /nfs/dbraw/zinc/68/16/47/656681647.db2.gz MCIKOOWVINGLET-SECBINFHSA-N 0 3 254.294 -1.802 20 0 CAADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033085903 656682376 /nfs/dbraw/zinc/68/23/76/656682376.db2.gz KKJMTUBVXGNGEB-UWVGGRQHSA-N 0 3 268.321 -1.413 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NC1CCN(CCO)CC1 ZINC001004283779 656685313 /nfs/dbraw/zinc/68/53/13/656685313.db2.gz CVLYZZGVPPUUEM-VIFPVBQESA-N 0 3 283.328 -1.388 20 0 CAADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033152070 656690172 /nfs/dbraw/zinc/69/01/72/656690172.db2.gz KIYHNPBNMZAWNG-NEPJUHHUSA-N 0 3 299.371 -1.241 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033152073 656690304 /nfs/dbraw/zinc/69/03/04/656690304.db2.gz KIYHNPBNMZAWNG-VXGBXAGGSA-N 0 3 299.371 -1.241 20 0 CAADHN COCCN1CC[C@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001033158020 656690327 /nfs/dbraw/zinc/69/03/27/656690327.db2.gz UZGHIHOPYADMFU-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CCN(CCO)C1 ZINC001033158476 656690548 /nfs/dbraw/zinc/69/05/48/656690548.db2.gz ZTDFWLKNQPUJBH-BDAKNGLRSA-N 0 3 284.316 -1.891 20 0 CAADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033152071 656690765 /nfs/dbraw/zinc/69/07/65/656690765.db2.gz KIYHNPBNMZAWNG-NWDGAFQWSA-N 0 3 299.371 -1.241 20 0 CAADHN CN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CCN(CCO)C1 ZINC001033158518 656690802 /nfs/dbraw/zinc/69/08/02/656690802.db2.gz ZTDFWLKNQPUJBH-IUCAKERBSA-N 0 3 284.316 -1.891 20 0 CAADHN COCCN1CC[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001033158021 656691126 /nfs/dbraw/zinc/69/11/26/656691126.db2.gz UZGHIHOPYADMFU-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CCN(CCCO)C1 ZINC001033207086 656693229 /nfs/dbraw/zinc/69/32/29/656693229.db2.gz LTCUIMFAQMTLDR-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033208036 656694273 /nfs/dbraw/zinc/69/42/73/656694273.db2.gz ODMAXDLZBXSTNZ-GHMZBOCLSA-N 0 3 297.359 -1.505 20 0 CAADHN CN(C(=O)CN1CCN(C)C(=O)C1)[C@H]1CCN(CCO)C1 ZINC001033209190 656694617 /nfs/dbraw/zinc/69/46/17/656694617.db2.gz ZFGHGKYEHOGFBA-LBPRGKRZSA-N 0 3 298.387 -1.715 20 0 CAADHN CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CCN(CCO)C1 ZINC001033203034 656695197 /nfs/dbraw/zinc/69/51/97/656695197.db2.gz BEQYTHMRJBBKJM-JTQLQIEISA-N 0 3 283.332 -1.893 20 0 CAADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033208039 656695662 /nfs/dbraw/zinc/69/56/62/656695662.db2.gz ODMAXDLZBXSTNZ-QWRGUYRKSA-N 0 3 297.359 -1.505 20 0 CAADHN CN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CCN(CCO)C1 ZINC001033203042 656696778 /nfs/dbraw/zinc/69/67/78/656696778.db2.gz BEQYTHMRJBBKJM-SNVBAGLBSA-N 0 3 283.332 -1.893 20 0 CAADHN COCCN1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033209755 656696820 /nfs/dbraw/zinc/69/68/20/656696820.db2.gz ZOUIIRKJISENIL-NSHDSACASA-N 0 3 297.359 -1.239 20 0 CAADHN CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@H]1CCN(CCO)C1 ZINC001033239854 656700608 /nfs/dbraw/zinc/70/06/08/656700608.db2.gz GFCQTTDFSTVQTD-JTQLQIEISA-N 0 3 296.327 -1.526 20 0 CAADHN NC(=O)C(=O)NC1CCN(C(=O)CN2CCCC2)CC1 ZINC000946802161 656702967 /nfs/dbraw/zinc/70/29/67/656702967.db2.gz ZWGFFSFZWOTUQK-UHFFFAOYSA-N 0 3 282.344 -1.325 20 0 CAADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033338086 656703831 /nfs/dbraw/zinc/70/38/31/656703831.db2.gz VETXGCPODPVSMU-IUCAKERBSA-N 0 3 268.321 -1.263 20 0 CAADHN CN(C(=O)[C@H]1CCNC1=O)[C@H]1CCN(CCO)C1 ZINC001033334402 656704020 /nfs/dbraw/zinc/70/40/20/656704020.db2.gz WGHWZCCAZYPZGF-UWVGGRQHSA-N 0 3 255.318 -1.353 20 0 CAADHN CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CCN(CCCO)C1 ZINC001033327036 656704052 /nfs/dbraw/zinc/70/40/52/656704052.db2.gz GGJNSTURQWLDGA-WDEREUQCSA-N 0 3 284.360 -1.075 20 0 CAADHN CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033328961 656704766 /nfs/dbraw/zinc/70/47/66/656704766.db2.gz QYERQFRGYZJKIX-ZJUUUORDSA-N 0 3 270.333 -1.465 20 0 CAADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033327336 656704823 /nfs/dbraw/zinc/70/48/23/656704823.db2.gz HWKKGTMNQZCIOG-RYUDHWBXSA-N 0 3 298.387 -1.668 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033338087 656705584 /nfs/dbraw/zinc/70/55/84/656705584.db2.gz VETXGCPODPVSMU-RKDXNWHRSA-N 0 3 268.321 -1.263 20 0 CAADHN CN(C(=O)CN1CCNC(=O)C1)[C@H]1CCN(CCO)C1 ZINC001033328993 656705788 /nfs/dbraw/zinc/70/57/88/656705788.db2.gz RPGXKCBBRCYLQH-NSHDSACASA-N 0 3 284.360 -2.057 20 0 CAADHN CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033328960 656706707 /nfs/dbraw/zinc/70/67/07/656706707.db2.gz QYERQFRGYZJKIX-VHSXEESVSA-N 0 3 270.333 -1.465 20 0 CAADHN CN(C(=O)c1c[nH]c(=O)cn1)[C@@H]1CCN(CCO)C1 ZINC001033367921 656709774 /nfs/dbraw/zinc/70/97/74/656709774.db2.gz GPUHYGQLRGIIIX-SECBINFHSA-N 0 3 266.301 -1.092 20 0 CAADHN COCCN1CC[C@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001033373956 656711159 /nfs/dbraw/zinc/71/11/59/656711159.db2.gz RPIJPZHXEFOSAT-VHSXEESVSA-N 0 3 270.333 -1.153 20 0 CAADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501044 656714601 /nfs/dbraw/zinc/71/46/01/656714601.db2.gz AFEUZLKECRIYAG-KOLCDFICSA-N 0 3 297.355 -1.047 20 0 CAADHN CNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ncn[n-]2)C1 ZINC001033514389 656715747 /nfs/dbraw/zinc/71/57/47/656715747.db2.gz VVEBGGWORUBJQT-QMMMGPOBSA-N 0 3 266.305 -1.303 20 0 CAADHN CNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ncn[n-]2)C1 ZINC001033514389 656715763 /nfs/dbraw/zinc/71/57/63/656715763.db2.gz VVEBGGWORUBJQT-QMMMGPOBSA-N 0 3 266.305 -1.303 20 0 CAADHN CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033463009 656716982 /nfs/dbraw/zinc/71/69/82/656716982.db2.gz GKQGPIRJFBMCHL-BDAKNGLRSA-N 0 3 284.316 -1.891 20 0 CAADHN CNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ncn[n-]2)C1 ZINC001033514387 656717016 /nfs/dbraw/zinc/71/70/16/656717016.db2.gz VVEBGGWORUBJQT-MRVPVSSYSA-N 0 3 266.305 -1.303 20 0 CAADHN CNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ncn[n-]2)C1 ZINC001033514387 656717020 /nfs/dbraw/zinc/71/70/20/656717020.db2.gz VVEBGGWORUBJQT-MRVPVSSYSA-N 0 3 266.305 -1.303 20 0 CAADHN CNC(=O)[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702422104 656736811 /nfs/dbraw/zinc/73/68/11/656736811.db2.gz RCTQITPXOZWLKH-UWVGGRQHSA-N 0 3 256.350 -1.140 20 0 CAADHN CNC(=O)CN1CC[C@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001033560688 656717883 /nfs/dbraw/zinc/71/78/83/656717883.db2.gz BGGFDFBUQWIMRO-VIFPVBQESA-N 0 3 280.332 -1.374 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000702419683 656737693 /nfs/dbraw/zinc/73/76/93/656737693.db2.gz HPVDYVSUPZPKSB-UWVGGRQHSA-N 0 3 256.350 -1.046 20 0 CAADHN CN(C(=O)CN1CCC(=O)NC1=O)[C@@H]1CCN(CCO)C1 ZINC001033564555 656721431 /nfs/dbraw/zinc/72/14/31/656721431.db2.gz WAEBXUMUHZDOEV-SNVBAGLBSA-N 0 3 298.343 -1.547 20 0 CAADHN CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033606008 656722761 /nfs/dbraw/zinc/72/27/61/656722761.db2.gz ZBJSDZGPUPCDNB-ZJUUUORDSA-N 0 3 255.318 -1.210 20 0 CAADHN Cc1nn(CC(=O)N(C)[C@@H]2CCN(CCO)C2)c(=O)n1C ZINC001033626762 656723201 /nfs/dbraw/zinc/72/32/01/656723201.db2.gz UZVQGALQUOUBDZ-LLVKDONJSA-N 0 3 297.359 -1.585 20 0 CAADHN CN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033672850 656725337 /nfs/dbraw/zinc/72/53/37/656725337.db2.gz BERZSOYQWURFRL-NXEZZACHSA-N 0 3 291.373 -1.797 20 0 CAADHN COCCN1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033641681 656725361 /nfs/dbraw/zinc/72/53/61/656725361.db2.gz BJHRUDMTHOKGBN-SNVBAGLBSA-N 0 3 298.343 -1.283 20 0 CAADHN CN1N=C(C(=O)NC[C@@H]2CNCCO2)CCC1=O ZINC000700958508 656726119 /nfs/dbraw/zinc/72/61/19/656726119.db2.gz IOXIZIQQHDJYGG-QMMMGPOBSA-N 0 3 254.290 -1.301 20 0 CAADHN CN(C(=O)CN1C(=O)CN(C)C1=O)[C@@H]1CCN(CCO)C1 ZINC001033641994 656726263 /nfs/dbraw/zinc/72/62/63/656726263.db2.gz HPRVLFKYYKRQFX-SNVBAGLBSA-N 0 3 298.343 -1.595 20 0 CAADHN Cc1nn(CC(=O)N(C)[C@H]2CCN(CCO)C2)c(=O)n1C ZINC001033626763 656726375 /nfs/dbraw/zinc/72/63/75/656726375.db2.gz UZVQGALQUOUBDZ-NSHDSACASA-N 0 3 297.359 -1.585 20 0 CAADHN CN(C(=O)c1ccc(=O)n(C)n1)[C@@H]1CCN(CCO)C1 ZINC001033639620 656727390 /nfs/dbraw/zinc/72/73/90/656727390.db2.gz GKIORXXIIBZGKD-SNVBAGLBSA-N 0 3 280.328 -1.081 20 0 CAADHN CN(C(=O)CN1C(=O)CNC1=O)[C@H]1CCN(CCCO)C1 ZINC001033643234 656727428 /nfs/dbraw/zinc/72/74/28/656727428.db2.gz WEVVLBBPYWXTMA-JTQLQIEISA-N 0 3 298.343 -1.547 20 0 CAADHN CN(C(=O)CN1C(=O)CNC1=O)[C@H]1CCN(CCO)C1 ZINC001033641736 656727789 /nfs/dbraw/zinc/72/77/89/656727789.db2.gz BZEMWYNUALDNAN-VIFPVBQESA-N 0 3 284.316 -1.937 20 0 CAADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033645972 656728036 /nfs/dbraw/zinc/72/80/36/656728036.db2.gz ZXSPUEPIFSZATH-UWVGGRQHSA-N 0 3 298.343 -1.548 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001033674544 656729924 /nfs/dbraw/zinc/72/99/24/656729924.db2.gz KTZWLWWCQCNLQF-OLZOCXBDSA-N 0 3 299.371 -1.241 20 0 CAADHN CN(C(=O)c1cn(C)c(=O)n1C)[C@H]1CCN(CCO)C1 ZINC001033691836 656729999 /nfs/dbraw/zinc/72/99/99/656729999.db2.gz CCXLBOCYPCQSOE-JTQLQIEISA-N 0 3 282.344 -1.138 20 0 CAADHN CN(C(=O)C[C@@H]1CC(=O)NC1=O)[C@@H]1CCN(CCO)C1 ZINC001033722374 656730103 /nfs/dbraw/zinc/73/01/03/656730103.db2.gz KNJHLWBULWJBJG-VHSXEESVSA-N 0 3 283.328 -1.436 20 0 CAADHN COC(=O)N(C)CCNCc1cn(C)c(=O)n(C)c1=O ZINC000701627028 656732094 /nfs/dbraw/zinc/73/20/94/656732094.db2.gz IPIUDUBEVODBEL-UHFFFAOYSA-N 0 3 284.316 -1.128 20 0 CAADHN CN(C(=O)Cn1ncnn1)C1CCN(CCO)CC1 ZINC001005393090 656732388 /nfs/dbraw/zinc/73/23/88/656732388.db2.gz LSZIFRYMVCQRAO-UHFFFAOYSA-N 0 3 268.321 -1.412 20 0 CAADHN CN(C(=O)CN1CCOCC1=O)C1CCN(CCO)CC1 ZINC001005507594 656733661 /nfs/dbraw/zinc/73/36/61/656733661.db2.gz IRRIYBBAKVCNCW-UHFFFAOYSA-N 0 3 299.371 -1.240 20 0 CAADHN CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(CCCO)C1 ZINC001033937424 656733801 /nfs/dbraw/zinc/73/38/01/656733801.db2.gz ICXVANXELQTJRO-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(CCCO)C1 ZINC001033937425 656734914 /nfs/dbraw/zinc/73/49/14/656734914.db2.gz ICXVANXELQTJRO-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033972155 656735637 /nfs/dbraw/zinc/73/56/37/656735637.db2.gz OPEFVXAKNSAVMN-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H](N)CN(C)C ZINC000702420235 656736199 /nfs/dbraw/zinc/73/61/99/656736199.db2.gz KSHPEXOGKVRPEZ-UTLUCORTSA-N 0 3 256.350 -1.012 20 0 CAADHN C[C@@H](CN1CCOCC1)NC(=O)[C@@H](N)CN(C)C ZINC000702428062 656736633 /nfs/dbraw/zinc/73/66/33/656736633.db2.gz HCIVKCLYGOZKGV-QWRGUYRKSA-N 0 3 258.366 -1.288 20 0 CAADHN CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000702422107 656737477 /nfs/dbraw/zinc/73/74/77/656737477.db2.gz RCTQITPXOZWLKH-ZJUUUORDSA-N 0 3 256.350 -1.140 20 0 CAADHN CN(C(=O)C[C@@H]1NC(=O)NC1=O)C1CCN(CCO)CC1 ZINC001005519479 656738041 /nfs/dbraw/zinc/73/80/41/656738041.db2.gz VSIWKKSIKOYIJF-JTQLQIEISA-N 0 3 298.343 -1.500 20 0 CAADHN CN(C)C[C@H](N)C(=O)NCCCN(C)S(C)(=O)=O ZINC000702393018 656738242 /nfs/dbraw/zinc/73/82/42/656738242.db2.gz WVTYSWIPWYDAES-VIFPVBQESA-N 0 3 280.394 -1.727 20 0 CAADHN CCN(CCCNC(=O)[C@@H](N)CN(C)C)S(C)(=O)=O ZINC000702388260 656738759 /nfs/dbraw/zinc/73/87/59/656738759.db2.gz RFLXIBHIPNRWGR-JTQLQIEISA-N 0 3 294.421 -1.337 20 0 CAADHN CN(C)C[C@H](N)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000702351303 656738875 /nfs/dbraw/zinc/73/88/75/656738875.db2.gz NZIVTZHJPKQXSQ-UWVGGRQHSA-N 0 3 292.405 -1.585 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@H]1CCCCN(CCO)C1 ZINC001034174622 656738912 /nfs/dbraw/zinc/73/89/12/656738912.db2.gz LHMUVCDCYJZYMO-JTQLQIEISA-N 0 3 283.332 -1.053 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@@H]1CCCCN(CCO)C1 ZINC001034245787 656739103 /nfs/dbraw/zinc/73/91/03/656739103.db2.gz UAHKKYYRIMTFMM-GFCCVEGCSA-N 0 3 299.371 -1.192 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CCCCN(CCO)C2)NC1=O ZINC001034340758 656740969 /nfs/dbraw/zinc/74/09/69/656740969.db2.gz UGZIDRDMMBCTGU-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN CN1C[C@H](C(=O)N[C@H]2CCCCN(CCO)C2)NC1=O ZINC001034340760 656741241 /nfs/dbraw/zinc/74/12/41/656741241.db2.gz UGZIDRDMMBCTGU-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CCCCN(CCO)C2)NC1=O ZINC001034340757 656741861 /nfs/dbraw/zinc/74/18/61/656741861.db2.gz UGZIDRDMMBCTGU-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCCN(CCO)C2)O1 ZINC001034397300 656743171 /nfs/dbraw/zinc/74/31/71/656743171.db2.gz JCZUVACNXCPEHR-SDDRHHMPSA-N 0 3 299.371 -1.018 20 0 CAADHN NC(=O)CN1CCCC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001034447184 656743707 /nfs/dbraw/zinc/74/37/07/656743707.db2.gz FUGGTKOTEOJQFN-MRVPVSSYSA-N 0 3 266.305 -1.126 20 0 CAADHN CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000703128313 656745268 /nfs/dbraw/zinc/74/52/68/656745268.db2.gz DNDWEDYHDSTETL-QMMMGPOBSA-N 0 3 297.402 -1.698 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000703130340 656745911 /nfs/dbraw/zinc/74/59/11/656745911.db2.gz XGGGQOPLRPFGRZ-ZETCQYMHSA-N 0 3 283.375 -2.089 20 0 CAADHN NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CN1CCCC1 ZINC001005667022 656748900 /nfs/dbraw/zinc/74/89/00/656748900.db2.gz BRRLWGMDGOHPHM-MXWKQRLJSA-N 0 3 294.355 -1.184 20 0 CAADHN O=C(Cn1nccn1)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001034946234 656750184 /nfs/dbraw/zinc/75/01/84/656750184.db2.gz WXWYUXXTPOQGGI-GHMZBOCLSA-N 0 3 292.343 -1.253 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)n1 ZINC001034929269 656750563 /nfs/dbraw/zinc/75/05/63/656750563.db2.gz ZOJOTVFQSKKKEP-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN O=C(Cn1cnnn1)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001034855391 656750628 /nfs/dbraw/zinc/75/06/28/656750628.db2.gz ZFUYFHZESDDNEN-NXEZZACHSA-N 0 3 293.331 -1.858 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001034968133 656750776 /nfs/dbraw/zinc/75/07/76/656750776.db2.gz KEKCITORNJSJPT-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001034889585 656751057 /nfs/dbraw/zinc/75/10/57/656751057.db2.gz RMHQSKPGXZXMLI-BDAKNGLRSA-N 0 3 268.317 -1.669 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)nn1 ZINC001034930135 656751374 /nfs/dbraw/zinc/75/13/74/656751374.db2.gz PHRXTGVQGICXBZ-NXEZZACHSA-N 0 3 292.343 -1.102 20 0 CAADHN CN1CCC[C@@H](NS(=O)(=O)N2CCNCC2)C1=O ZINC000704372970 656751745 /nfs/dbraw/zinc/75/17/45/656751745.db2.gz QOMYJKCMOOMYAK-SECBINFHSA-N 0 3 276.362 -1.653 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)n1 ZINC001034929268 656751875 /nfs/dbraw/zinc/75/18/75/656751875.db2.gz ZOJOTVFQSKKKEP-NXEZZACHSA-N 0 3 292.343 -1.102 20 0 CAADHN O=C(Cn1cncn1)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001035119727 656752194 /nfs/dbraw/zinc/75/21/94/656752194.db2.gz ZNBLHJJNLBYNIT-GHMZBOCLSA-N 0 3 292.343 -1.253 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]1CN[C@H]1CCC(=O)NC1=O ZINC001035035711 656752472 /nfs/dbraw/zinc/75/24/72/656752472.db2.gz VQVQZRWUBCDACZ-SFYZADRCSA-N 0 3 282.300 -2.143 20 0 CAADHN NC(=O)C1(C(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)CC1 ZINC001035036021 656752578 /nfs/dbraw/zinc/75/25/78/656752578.db2.gz YRRODCZRNZIDNC-NXEZZACHSA-N 0 3 294.355 -1.279 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001035079702 656752647 /nfs/dbraw/zinc/75/26/47/656752647.db2.gz QICSKKCFIIRQNA-RKDXNWHRSA-N 0 3 278.316 -1.113 20 0 CAADHN CN1CC[C@H](NC[C@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001035035082 656753074 /nfs/dbraw/zinc/75/30/74/656753074.db2.gz PRTHFNJKUGWBNX-BDAKNGLRSA-N 0 3 268.317 -1.717 20 0 CAADHN CCN1CC[C@@H](NC[C@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001035034227 656753182 /nfs/dbraw/zinc/75/31/82/656753182.db2.gz CTIQPSBPWYWIAP-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CCC[C@H](NC[C@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001035034704 656753403 /nfs/dbraw/zinc/75/34/03/656753403.db2.gz KWTKTMAJACNMSU-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CCN1CC[C@H](NC[C@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001035034233 656753412 /nfs/dbraw/zinc/75/34/12/656753412.db2.gz CTIQPSBPWYWIAP-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)C1(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)CC1 ZINC001035036027 656753605 /nfs/dbraw/zinc/75/36/05/656753605.db2.gz YRRODCZRNZIDNC-ZJUUUORDSA-N 0 3 294.355 -1.279 20 0 CAADHN C[C@H](C(N)=O)N1CCC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035220726 656754591 /nfs/dbraw/zinc/75/45/91/656754591.db2.gz MYGQQRISLTZTRT-SECBINFHSA-N 0 3 282.344 -1.340 20 0 CAADHN Cn1nnc(C(=O)N2CCC3(CN(CCO)C3)CC2)n1 ZINC001035770120 656782898 /nfs/dbraw/zinc/78/28/98/656782898.db2.gz AOLIUUUEXFCPJQ-UHFFFAOYSA-N 0 3 280.332 -1.260 20 0 CAADHN NC(=O)C(=O)N1CCC2(CN(CCCO)C2)CC1 ZINC001035781600 656783130 /nfs/dbraw/zinc/78/31/30/656783130.db2.gz AVGXIFJZMYMYHJ-UHFFFAOYSA-N 0 3 255.318 -1.222 20 0 CAADHN O=C(Cn1ncnn1)N1CCC2(CN(CCO)C2)CC1 ZINC001035710536 656783473 /nfs/dbraw/zinc/78/34/73/656783473.db2.gz ZXWMCIHSNUYFQY-UHFFFAOYSA-N 0 3 280.332 -1.410 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1CCC2(CN(CCO)C2)CC1 ZINC001035779658 656783932 /nfs/dbraw/zinc/78/39/32/656783932.db2.gz QSGNIWSQHTVFDP-SNVBAGLBSA-N 0 3 282.344 -1.416 20 0 CAADHN C[C@H](O)CN1CC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035705319 656784276 /nfs/dbraw/zinc/78/42/76/656784276.db2.gz CONWKDCBQIPERI-NSHDSACASA-N 0 3 294.359 -1.022 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1CCC2(CN(CCCO)C2)CC1 ZINC001035779343 656784315 /nfs/dbraw/zinc/78/43/15/656784315.db2.gz LSCXTFLGIBXCEK-LLVKDONJSA-N 0 3 296.371 -1.025 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1CCC2(CN(CCO)C2)CC1 ZINC001035779656 656784789 /nfs/dbraw/zinc/78/47/89/656784789.db2.gz QSGNIWSQHTVFDP-JTQLQIEISA-N 0 3 282.344 -1.416 20 0 CAADHN O=C(Cn1ncnn1)N1CCC2(CN(CCCO)C2)CC1 ZINC001035710416 656784849 /nfs/dbraw/zinc/78/48/49/656784849.db2.gz XCQBHBHIJIAJGU-UHFFFAOYSA-N 0 3 294.359 -1.020 20 0 CAADHN C[C@H]1CN(C(=O)c2cn[n-]n2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036089864 656787754 /nfs/dbraw/zinc/78/77/54/656787754.db2.gz MQJYJNUZTDUCPH-YUMQZZPRSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)CC[C@H]1[NH2+]CC(N)=O ZINC001036089858 656788573 /nfs/dbraw/zinc/78/85/73/656788573.db2.gz MQJYJNUZTDUCPH-HTQZYQBOSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@H]1CN(S(=O)(=O)N2CCNCC2)CCS1(=O)=O ZINC000707275475 656790226 /nfs/dbraw/zinc/79/02/26/656790226.db2.gz UYXQUUMITNFROT-VIFPVBQESA-N 0 3 297.402 -1.745 20 0 CAADHN C[C@H]1CN(C(=O)c2nc[n-]n2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036214099 656790346 /nfs/dbraw/zinc/79/03/46/656790346.db2.gz BOKSHMPFHJVQLV-YUMQZZPRSA-N 0 3 266.305 -1.270 20 0 CAADHN COC(=O)[C@H]1COCCN1C(=O)[C@@H](N)CN(C)C ZINC000707359857 656792184 /nfs/dbraw/zinc/79/21/84/656792184.db2.gz DLQDOXBJVFSWHG-DTWKUNHWSA-N 0 3 259.306 -1.724 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)CCO1 ZINC000707377214 656792822 /nfs/dbraw/zinc/79/28/22/656792822.db2.gz WKGOZXBLJDCHHR-IUCAKERBSA-N 0 3 259.306 -1.724 20 0 CAADHN COC(=O)C[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)CCO1 ZINC000707381887 656792863 /nfs/dbraw/zinc/79/28/63/656792863.db2.gz IJTJEVCNBJFHKK-ZJUUUORDSA-N 0 3 273.333 -1.334 20 0 CAADHN CC(C)N1CC[C@H](NS(=O)(=O)N2CCNCC2)C1=O ZINC000709008588 656793003 /nfs/dbraw/zinc/79/30/03/656793003.db2.gz JYVFSZCKUWWCKE-JTQLQIEISA-N 0 3 290.389 -1.265 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@@H](N)CN(C)C)CCO1 ZINC000707377213 656793115 /nfs/dbraw/zinc/79/31/15/656793115.db2.gz WKGOZXBLJDCHHR-DTWKUNHWSA-N 0 3 259.306 -1.724 20 0 CAADHN CNC(=O)CN1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 ZINC001036671612 656799426 /nfs/dbraw/zinc/79/94/26/656799426.db2.gz MWSWYDMGJUJORR-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C(=O)CN1CCNC(=O)C1)C1CCN(CCO)CC1 ZINC001005815554 656799697 /nfs/dbraw/zinc/79/96/97/656799697.db2.gz UJGKNILATYZCEH-UHFFFAOYSA-N 0 3 298.387 -1.667 20 0 CAADHN CNC(=O)CN1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@H]21 ZINC001036671611 656799728 /nfs/dbraw/zinc/79/97/28/656799728.db2.gz MWSWYDMGJUJORR-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](N2CCNCC2=O)C1 ZINC000923332100 656803304 /nfs/dbraw/zinc/80/33/04/656803304.db2.gz HCKLDWHEOOABLS-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN NC(=O)C(=O)N1CCC(O)(CN[C@@H]2CCNC2=O)CC1 ZINC000946924183 656807248 /nfs/dbraw/zinc/80/72/48/656807248.db2.gz DIDVTACAYLTGFN-MRVPVSSYSA-N 0 3 284.316 -2.697 20 0 CAADHN CN(CCN1CCOCC1)S(=O)(=O)C1CNC1 ZINC000923603344 656808462 /nfs/dbraw/zinc/80/84/62/656808462.db2.gz KJGALLDEDUDEBY-UHFFFAOYSA-N 0 3 263.363 -1.448 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CCN(CCCO)C1 ZINC001016436588 656808545 /nfs/dbraw/zinc/80/85/45/656808545.db2.gz MCERAUUGRPPTRW-UWVGGRQHSA-N 0 3 283.328 -1.388 20 0 CAADHN Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)C3C[NH2+]C3)C2=O)cn1 ZINC000923611852 656809774 /nfs/dbraw/zinc/80/97/74/656809774.db2.gz DISQCRJIJQCTTL-SNVBAGLBSA-N 0 3 299.356 -1.583 20 0 CAADHN Cn1cc(N2CC[C@@H](NS(=O)(=O)C3CNC3)C2=O)cn1 ZINC000923611852 656809776 /nfs/dbraw/zinc/80/97/76/656809776.db2.gz DISQCRJIJQCTTL-SNVBAGLBSA-N 0 3 299.356 -1.583 20 0 CAADHN C[C@H](Cn1cncn1)NS(=O)(=O)N1CCNCC1 ZINC000923607142 656809797 /nfs/dbraw/zinc/80/97/97/656809797.db2.gz VWAGANAYFYDGEF-SECBINFHSA-N 0 3 274.350 -1.594 20 0 CAADHN O=C1CCC(=O)N1CCCNS(=O)(=O)C1CNC1 ZINC000923606760 656809863 /nfs/dbraw/zinc/80/98/63/656809863.db2.gz NWWKYVDFIRHTMJ-UHFFFAOYSA-N 0 3 275.330 -1.583 20 0 CAADHN O=S(=O)(C1CNC1)N1CCO[C@H](Cn2cccn2)C1 ZINC000923608390 656809892 /nfs/dbraw/zinc/80/98/92/656809892.db2.gz RTNWLYHYTOUSAY-SNVBAGLBSA-N 0 3 286.357 -1.115 20 0 CAADHN O=S(=O)(NCCCO[C@H]1CCOC1)N1CCNCC1 ZINC000923626683 656810199 /nfs/dbraw/zinc/81/01/99/656810199.db2.gz GFSGEVYNFUKBLZ-NSHDSACASA-N 0 3 293.389 -1.078 20 0 CAADHN C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)N1CCNCC1 ZINC000923625489 656810386 /nfs/dbraw/zinc/81/03/86/656810386.db2.gz PIVBMJIMJOGZLO-WDEREUQCSA-N 0 3 293.389 -1.080 20 0 CAADHN O=C1C[C@H](NS(=O)(=O)N2CCNCC2)CN1C1CC1 ZINC000923624742 656810452 /nfs/dbraw/zinc/81/04/52/656810452.db2.gz RXARRUCRFCTWSJ-VIFPVBQESA-N 0 3 288.373 -1.511 20 0 CAADHN C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)N1CCNCC1 ZINC000923625486 656810535 /nfs/dbraw/zinc/81/05/35/656810535.db2.gz PIVBMJIMJOGZLO-GHMZBOCLSA-N 0 3 293.389 -1.080 20 0 CAADHN CC[C@H](NS(=O)(=O)C1CNC1)C(=O)N1CCOCC1 ZINC000923626708 656810565 /nfs/dbraw/zinc/81/05/65/656810565.db2.gz XPUGFCXVHYXFED-JTQLQIEISA-N 0 3 291.373 -1.485 20 0 CAADHN Cn1cc(N2CCN(S(=O)(=O)C3CNC3)CC2=O)cn1 ZINC000923625576 656810615 /nfs/dbraw/zinc/81/06/15/656810615.db2.gz LLCKIWJSDBZCIR-UHFFFAOYSA-N 0 3 299.356 -1.630 20 0 CAADHN NC(=O)C[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923626765 656810786 /nfs/dbraw/zinc/81/07/86/656810786.db2.gz OKBKAARJZBTZEO-MRVPVSSYSA-N 0 3 261.347 -1.125 20 0 CAADHN COC(=O)[C@H](C)CNS(=O)(=O)N1CCNCC1 ZINC000923626692 656810821 /nfs/dbraw/zinc/81/08/21/656810821.db2.gz BYPWVIYHZIICTN-MRVPVSSYSA-N 0 3 265.335 -1.465 20 0 CAADHN C[C@H]1CN(S(=O)(=O)C2CNC2)C[C@H]1N1CCOCC1 ZINC000923624578 656810838 /nfs/dbraw/zinc/81/08/38/656810838.db2.gz GUKLSYJRHSLIRM-CMPLNLGQSA-N 0 3 289.401 -1.060 20 0 CAADHN COCCOC[C@@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923620821 656810857 /nfs/dbraw/zinc/81/08/57/656810857.db2.gz MBPKJYPZMNMDAG-SNVBAGLBSA-N 0 3 281.378 -1.223 20 0 CAADHN O=C1C[C@@H](NS(=O)(=O)N2CCNCC2)CN1C1CC1 ZINC000923624739 656810888 /nfs/dbraw/zinc/81/08/88/656810888.db2.gz RXARRUCRFCTWSJ-SECBINFHSA-N 0 3 288.373 -1.511 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1S(=O)(=O)C1CNC1 ZINC000923643456 656811490 /nfs/dbraw/zinc/81/14/90/656811490.db2.gz KURYDRPUIZURMZ-VIFPVBQESA-N 0 3 277.346 -1.875 20 0 CAADHN O=S(=O)(C1CNC1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000923642622 656811573 /nfs/dbraw/zinc/81/15/73/656811573.db2.gz FVRXAMIARWZXRF-ZJUUUORDSA-N 0 3 261.347 -1.649 20 0 CAADHN CN(C)c1nccc(CNS(=O)(=O)C2CNC2)n1 ZINC000923635640 656811779 /nfs/dbraw/zinc/81/17/79/656811779.db2.gz OOGXPCVQIWAASC-UHFFFAOYSA-N 0 3 271.346 -1.066 20 0 CAADHN C[C@H]1CN(S(=O)(=O)C2CNC2)CCN1S(C)(=O)=O ZINC000923637518 656811808 /nfs/dbraw/zinc/81/18/08/656811808.db2.gz ZXFGDASHZZNMLO-QMMMGPOBSA-N 0 3 297.402 -1.746 20 0 CAADHN O=S(=O)(C1CNC1)N1CCNC[C@@H]1C(F)F ZINC000923640226 656811933 /nfs/dbraw/zinc/81/19/33/656811933.db2.gz IYTBBWNOBCYEIO-SSDOTTSWSA-N 0 3 255.290 -1.173 20 0 CAADHN O=S(=O)([N-][C@@H]1CNCCC1(F)F)N1CC[NH2+]CC1 ZINC000923647821 656812478 /nfs/dbraw/zinc/81/24/78/656812478.db2.gz XOIPASQXGUKVOV-MRVPVSSYSA-N 0 3 284.332 -1.277 20 0 CAADHN C[C@H]1CN(CCNS(=O)(=O)C2CNC2)[C@@H](C)CO1 ZINC000923654275 656812697 /nfs/dbraw/zinc/81/26/97/656812697.db2.gz FYBJNKXDALMNPM-UWVGGRQHSA-N 0 3 277.390 -1.013 20 0 CAADHN O=S(=O)(NCC1(N2CCOCC2)CC1)C1CNC1 ZINC000923665252 656813038 /nfs/dbraw/zinc/81/30/38/656813038.db2.gz IAXHKXILPOUHSV-UHFFFAOYSA-N 0 3 275.374 -1.258 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)C1CNC1 ZINC000923655780 656813193 /nfs/dbraw/zinc/81/31/93/656813193.db2.gz UJUJPKWKEWZJPN-UHFFFAOYSA-N 0 3 292.405 -1.760 20 0 CAADHN CO[C@H](CNS(=O)(=O)N1CCNCC1)[C@H]1CCOC1 ZINC000923657664 656813202 /nfs/dbraw/zinc/81/32/02/656813202.db2.gz UKKXXPPFAJCFJO-WDEREUQCSA-N 0 3 293.389 -1.223 20 0 CAADHN CC(=O)N1CC[C@@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923659328 656813258 /nfs/dbraw/zinc/81/32/58/656813258.db2.gz MLKMSAPSMFGQGD-SNVBAGLBSA-N 0 3 276.362 -1.653 20 0 CAADHN CC1(C)CN(S(=O)(=O)N2CCNCC2)CCN1 ZINC000923655654 656813401 /nfs/dbraw/zinc/81/34/01/656813401.db2.gz LHMORKIOEKMZLO-UHFFFAOYSA-N 0 3 262.379 -1.180 20 0 CAADHN CO[C@@H](CNS(=O)(=O)C1CNC1)[C@H]1CCOC1 ZINC000923657380 656813409 /nfs/dbraw/zinc/81/34/09/656813409.db2.gz PBRDFADIGJIXOV-WPRPVWTQSA-N 0 3 264.347 -1.071 20 0 CAADHN CON(C)C(=O)[C@@H](C)NS(=O)(=O)C1CNC1 ZINC000923664769 656813426 /nfs/dbraw/zinc/81/34/26/656813426.db2.gz RYLGHWRDFKXVSN-ZCFIWIBFSA-N 0 3 251.308 -1.714 20 0 CAADHN CN1C(=O)[C@H]2CN(S(=O)(=O)C3CNC3)C[C@H]2C1=O ZINC000923666082 656813613 /nfs/dbraw/zinc/81/36/13/656813613.db2.gz OXPCKLNOSOWIEM-OCAPTIKFSA-N 0 3 273.314 -2.165 20 0 CAADHN O=C1NCCN1CCNS(=O)(=O)N1CCNCC1 ZINC000923674130 656814042 /nfs/dbraw/zinc/81/40/42/656814042.db2.gz NBCKPELFFONSDY-UHFFFAOYSA-N 0 3 277.350 -2.249 20 0 CAADHN O=C1NCC[C@@H]2CCCN(S(=O)(=O)C3CNC3)[C@H]12 ZINC000923675286 656814057 /nfs/dbraw/zinc/81/40/57/656814057.db2.gz RISQJYOQGUCXBK-WPRPVWTQSA-N 0 3 273.358 -1.112 20 0 CAADHN O=C1NCCO[C@@H]2CCCN(S(=O)(=O)C3CNC3)[C@@H]12 ZINC000923671707 656814126 /nfs/dbraw/zinc/81/41/26/656814126.db2.gz IFLXLUGFCAUOJW-NXEZZACHSA-N 0 3 289.357 -1.733 20 0 CAADHN O=C1NCC[C@H]2CCCN(S(=O)(=O)C3CNC3)[C@@H]12 ZINC000923675095 656814170 /nfs/dbraw/zinc/81/41/70/656814170.db2.gz RISQJYOQGUCXBK-PSASIEDQSA-N 0 3 273.358 -1.112 20 0 CAADHN CO[C@@H]1COCC[C@H]1N(C)S(=O)(=O)N1CCNCC1 ZINC000923672915 656814195 /nfs/dbraw/zinc/81/41/95/656814195.db2.gz CZLFHLHXSSWGCG-GHMZBOCLSA-N 0 3 293.389 -1.128 20 0 CAADHN CO[C@H]1COCC[C@@H]1N(C)S(=O)(=O)N1CCNCC1 ZINC000923672917 656814339 /nfs/dbraw/zinc/81/43/39/656814339.db2.gz CZLFHLHXSSWGCG-QWRGUYRKSA-N 0 3 293.389 -1.128 20 0 CAADHN CONC(=O)C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923672785 656814427 /nfs/dbraw/zinc/81/44/27/656814427.db2.gz XTMDCUPUZSSIJM-UHFFFAOYSA-N 0 3 277.346 -1.322 20 0 CAADHN COC(=O)[C@H](CNS(=O)(=O)C1CNC1)OC ZINC000923673602 656814432 /nfs/dbraw/zinc/81/44/32/656814432.db2.gz HFVPZKQPDWQANK-ZETCQYMHSA-N 0 3 252.292 -1.934 20 0 CAADHN COCCOCCS(=O)(=O)N1CCNCCNCC1 ZINC000923692236 656815712 /nfs/dbraw/zinc/81/57/12/656815712.db2.gz MMLMFJZELAWXJA-UHFFFAOYSA-N 0 3 295.405 -1.526 20 0 CAADHN COCCS(=O)(=O)N1CCNCCNCC1 ZINC000923690411 656815915 /nfs/dbraw/zinc/81/59/15/656815915.db2.gz JSGAHBXDXQHYNB-UHFFFAOYSA-N 0 3 251.352 -1.543 20 0 CAADHN C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCNCCNCC1 ZINC000923692978 656816134 /nfs/dbraw/zinc/81/61/34/656816134.db2.gz HMUPPAAJJYYPTJ-QWRGUYRKSA-N 0 3 277.390 -1.012 20 0 CAADHN O=S(=O)(NCCO[C@@H]1CCOC1)N1CCNCC1 ZINC000923734687 656817029 /nfs/dbraw/zinc/81/70/29/656817029.db2.gz SEIMSKVSTDHCBQ-SNVBAGLBSA-N 0 3 279.362 -1.469 20 0 CAADHN O=S(=O)(NCCO[C@H]1CCOC1)C1CNC1 ZINC000923734944 656817163 /nfs/dbraw/zinc/81/71/63/656817163.db2.gz VGMZUCJANVBZAL-QMMMGPOBSA-N 0 3 250.320 -1.317 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N([C@@H]2CCN(C)C2=O)C1=O ZINC000924626799 656817892 /nfs/dbraw/zinc/81/78/92/656817892.db2.gz XUUVLVIHOXOYSC-JGVFFNPUSA-N 0 3 254.290 -1.301 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CCNC(=O)C2CC2)C1=O ZINC000924442476 656817936 /nfs/dbraw/zinc/81/79/36/656817936.db2.gz QXDBHIONEFSIIP-SECBINFHSA-N 0 3 268.317 -1.005 20 0 CAADHN CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](O)CN2C)N(C)C1 ZINC000924982851 656818284 /nfs/dbraw/zinc/81/82/84/656818284.db2.gz YRXCCENYIKYENV-BJDJZHNGSA-N 0 3 271.361 -1.113 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CCC(=O)N2CCOCC2)C1=O ZINC000924842068 656818310 /nfs/dbraw/zinc/81/83/10/656818310.db2.gz OWLCWRMQPCZBMT-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CCC(=O)N(C)C)C1=O ZINC000924488669 656818428 /nfs/dbraw/zinc/81/84/28/656818428.db2.gz SFCANYGNYQVNPT-QMMMGPOBSA-N 0 3 256.306 -1.053 20 0 CAADHN CCN(C)C(=O)CN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924781147 656818469 /nfs/dbraw/zinc/81/84/69/656818469.db2.gz RIOQGVSYSSLMDX-QMMMGPOBSA-N 0 3 256.306 -1.053 20 0 CAADHN CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](O)CN2C)N(C)C1 ZINC000924982852 656818560 /nfs/dbraw/zinc/81/85/60/656818560.db2.gz YRXCCENYIKYENV-RHYQMDGZSA-N 0 3 271.361 -1.113 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1C[C@@H](O)CN1C ZINC000924992053 656818924 /nfs/dbraw/zinc/81/89/24/656818924.db2.gz YYLAWWSMBDYCKE-VHSXEESVSA-N 0 3 293.389 -1.551 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)NC[C@H]1C[C@@H](O)CN1C ZINC000924992047 656818935 /nfs/dbraw/zinc/81/89/35/656818935.db2.gz YYLAWWSMBDYCKE-NXEZZACHSA-N 0 3 293.389 -1.551 20 0 CAADHN C[C@@H]1[C@H](NC(=O)N2CC(S(N)(=O)=O)C2)CCN1C ZINC000925341725 656819403 /nfs/dbraw/zinc/81/94/03/656819403.db2.gz IKQGLEHTLWVBNR-VXNVDRBHSA-N 0 3 276.362 -1.239 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(Cc2nc(N(C)C)n[nH]2)C1=O ZINC000925429663 656819617 /nfs/dbraw/zinc/81/96/17/656819617.db2.gz OEHYYFBEAAEJMS-ZETCQYMHSA-N 0 3 281.320 -1.147 20 0 CAADHN CCN1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926281151 656820544 /nfs/dbraw/zinc/82/05/44/656820544.db2.gz LFXKISHYMWZCBB-UHFFFAOYSA-N 0 3 297.403 -1.828 20 0 CAADHN CCOC(=O)[C@H]1NCC[C@@H]1NCCN1CCNC1=O ZINC000925776097 656820667 /nfs/dbraw/zinc/82/06/67/656820667.db2.gz CUGIZBVCYLUFRN-UWVGGRQHSA-N 0 3 270.333 -1.105 20 0 CAADHN CC[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CCO1 ZINC000926295134 656820898 /nfs/dbraw/zinc/82/08/98/656820898.db2.gz ZVYSZYDIRHLCEQ-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCSCC1 ZINC000926301081 656820922 /nfs/dbraw/zinc/82/09/22/656820922.db2.gz XCRQZCFYBQHBPB-UHFFFAOYSA-N 0 3 286.401 -1.417 20 0 CAADHN COCCN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926299917 656820950 /nfs/dbraw/zinc/82/09/50/656820950.db2.gz SBEGPLRBJOMGQX-UHFFFAOYSA-N 0 3 272.349 -1.887 20 0 CAADHN CCOC(=O)[C@@H]1NCC[C@H]1NCCN1CCNC1=O ZINC000925776096 656821046 /nfs/dbraw/zinc/82/10/46/656821046.db2.gz CUGIZBVCYLUFRN-NXEZZACHSA-N 0 3 270.333 -1.105 20 0 CAADHN CN(C(=O)C(=O)N1CCNCCNCC1)C1CC1 ZINC000926301468 656821407 /nfs/dbraw/zinc/82/14/07/656821407.db2.gz VIDPGQATPOGNBX-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)[C@@H](C)CO1 ZINC000926311743 656821424 /nfs/dbraw/zinc/82/14/24/656821424.db2.gz GNDWVUZXNXFWRG-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)[C@@H]1CO ZINC000926341503 656821437 /nfs/dbraw/zinc/82/14/37/656821437.db2.gz KUVGEMQCUGZADI-VXGBXAGGSA-N 0 3 298.387 -1.763 20 0 CAADHN C[C@@H]1COCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926311925 656821503 /nfs/dbraw/zinc/82/15/03/656821503.db2.gz LHHCNXWHVLVGKT-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN COCCCN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926322371 656821568 /nfs/dbraw/zinc/82/15/68/656821568.db2.gz WYIYKONSDLQIDU-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN C[C@H]1COCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926311926 656821751 /nfs/dbraw/zinc/82/17/51/656821751.db2.gz LHHCNXWHVLVGKT-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN CN(CC1CC1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926313419 656822106 /nfs/dbraw/zinc/82/21/06/656822106.db2.gz DWLFQSJRAJKDKQ-UHFFFAOYSA-N 0 3 268.361 -1.124 20 0 CAADHN CN(CC(C)(C)O)C(=O)C(=O)N1CCNCCNCC1 ZINC000926337183 656821984 /nfs/dbraw/zinc/82/19/84/656821984.db2.gz LZNBDMQZZZSXJM-UHFFFAOYSA-N 0 3 286.376 -1.763 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CCCO1 ZINC000926330010 656822055 /nfs/dbraw/zinc/82/20/55/656822055.db2.gz JLSMXJGZSVAPJL-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CCN(CCCO)C(=O)C(=O)N1CCNCCNCC1 ZINC000926343304 656822587 /nfs/dbraw/zinc/82/25/87/656822587.db2.gz PUEDRNUYGKPXAV-UHFFFAOYSA-N 0 3 286.376 -1.761 20 0 CAADHN CCO[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926408886 656822815 /nfs/dbraw/zinc/82/28/15/656822815.db2.gz TVXOQWHECNLKSS-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CCOC[C@]1(CO)CN[C@H]1C(=O)NCC1(C)C ZINC000926893731 656823598 /nfs/dbraw/zinc/82/35/98/656823598.db2.gz UGAGNKVVXNWXIM-GXFFZTMASA-N 0 3 271.361 -1.206 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CCN1C ZINC000928431904 656825295 /nfs/dbraw/zinc/82/52/95/656825295.db2.gz OUDIBMGQJYIEPP-HRDYMLBCSA-N 0 3 261.347 -1.113 20 0 CAADHN C[C@H]1[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)CCN1C ZINC000928435399 656825379 /nfs/dbraw/zinc/82/53/79/656825379.db2.gz LZNZFFMZUBSFIT-UWVGGRQHSA-N 0 3 292.405 -1.067 20 0 CAADHN C[C@H]1[C@H](NC(=O)CN2CCNC(=O)C2)CCN1C ZINC000928423384 656825404 /nfs/dbraw/zinc/82/54/04/656825404.db2.gz AOBCQRPTWZDIRI-VHSXEESVSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@@H]1[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)CCN1C ZINC000928435391 656825746 /nfs/dbraw/zinc/82/57/46/656825746.db2.gz LZNZFFMZUBSFIT-NXEZZACHSA-N 0 3 292.405 -1.067 20 0 CAADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN1C ZINC000928439454 656825855 /nfs/dbraw/zinc/82/58/55/656825855.db2.gz WIYRLKKTDUTCNH-PRJMDXOYSA-N 0 3 254.290 -1.207 20 0 CAADHN C[C@@H]1[C@H](NC(=O)Cn2ncn(C)c2=O)CCN1C ZINC000928441439 656826491 /nfs/dbraw/zinc/82/64/91/656826491.db2.gz ONHRNZRXLFAANW-RKDXNWHRSA-N 0 3 253.306 -1.209 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCN1C ZINC000928441412 656826640 /nfs/dbraw/zinc/82/66/40/656826640.db2.gz ONHRNZRXLFAANW-BDAKNGLRSA-N 0 3 253.306 -1.209 20 0 CAADHN C[C@@H]1[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CCN1C ZINC000928447834 656826652 /nfs/dbraw/zinc/82/66/52/656826652.db2.gz LOEBYEBPGYGMHU-HTQZYQBOSA-N 0 3 282.300 -1.384 20 0 CAADHN C[C@@H]1[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCN1C ZINC000928458585 656826729 /nfs/dbraw/zinc/82/67/29/656826729.db2.gz SVTUPAQMRVGZTC-NXEZZACHSA-N 0 3 280.328 -1.244 20 0 CAADHN C[C@H]1[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCN1C ZINC000928458586 656826981 /nfs/dbraw/zinc/82/69/81/656826981.db2.gz SVTUPAQMRVGZTC-UWVGGRQHSA-N 0 3 280.328 -1.244 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CCOCN2)CC1=O ZINC000928951089 656827393 /nfs/dbraw/zinc/82/73/93/656827393.db2.gz QJBBVARBRBLQQN-JTQLQIEISA-N 0 3 270.333 -1.283 20 0 CAADHN CCN(CC)CC(=O)N1CCN(C[C@H](O)CO)CC1 ZINC000929516566 656830815 /nfs/dbraw/zinc/83/08/15/656830815.db2.gz AXOZYDQTRVNTGT-LBPRGKRZSA-N 0 3 273.377 -1.174 20 0 CAADHN CCN(CC)CC(=O)N1CCN(C[C@@H](O)CO)CC1 ZINC000929516554 656830839 /nfs/dbraw/zinc/83/08/39/656830839.db2.gz AXOZYDQTRVNTGT-GFCCVEGCSA-N 0 3 273.377 -1.174 20 0 CAADHN COCCN(CCO)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929488117 656831547 /nfs/dbraw/zinc/83/15/47/656831547.db2.gz RCZWFKDOPGWFSK-VXGBXAGGSA-N 0 3 263.334 -1.171 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000929512359 656831570 /nfs/dbraw/zinc/83/15/70/656831570.db2.gz ACBHOYTXSMDCPS-STQMWFEESA-N 0 3 285.388 -1.032 20 0 CAADHN O=C(CN1CCCC1)N1CCN(C[C@H](O)CO)CC1 ZINC000929514053 656831592 /nfs/dbraw/zinc/83/15/92/656831592.db2.gz YPTMGHPYXQZLLI-LBPRGKRZSA-N 0 3 271.361 -1.420 20 0 CAADHN C[C@@H](CNC(=O)CN1CC[C@H](O)C1)N1CC[C@H](O)C1 ZINC000929519675 656831782 /nfs/dbraw/zinc/83/17/82/656831782.db2.gz CYDNUYMLUYDLKX-SRVKXCTJSA-N 0 3 271.361 -1.376 20 0 CAADHN CN(C[C@@H](O)C1(O)CCC1)C[C@H](O)CN1CCOCC1 ZINC000929813731 656832270 /nfs/dbraw/zinc/83/22/70/656832270.db2.gz QNAPTKQJRIRHRD-QWHCGFSZSA-N 0 3 288.388 -1.113 20 0 CAADHN C[C@H](O)[C@@H](O)CN(C)C[C@H](O)CN1CCOCC1 ZINC000929814901 656832576 /nfs/dbraw/zinc/83/25/76/656832576.db2.gz XDIMHZFLEMITLB-SRVKXCTJSA-N 0 3 262.350 -1.647 20 0 CAADHN CC[C@H](CO)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000929984421 656833540 /nfs/dbraw/zinc/83/35/40/656833540.db2.gz SKFAXEFJWJIGPX-GRYCIOLGSA-N 0 3 292.401 -1.155 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000929875995 656833631 /nfs/dbraw/zinc/83/36/31/656833631.db2.gz DTQDOWWYRFNZIR-DCAQKATOSA-N 0 3 280.390 -1.011 20 0 CAADHN CN(C[C@@H](O)C[C@]1(O)CCOC1)CC(C)(CO)CO ZINC000929858481 656833885 /nfs/dbraw/zinc/83/38/85/656833885.db2.gz IRXVJCYWYINJKU-WCQYABFASA-N 0 3 277.361 -1.189 20 0 CAADHN COCCN(C)CCNC(=O)C(=O)NC[C@@H]1CCN1C ZINC000929894657 656834256 /nfs/dbraw/zinc/83/42/56/656834256.db2.gz LFLXTGKDRJNYBO-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CC[C@H](CO)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000929984423 656834277 /nfs/dbraw/zinc/83/42/77/656834277.db2.gz SKFAXEFJWJIGPX-UTUOFQBUSA-N 0 3 292.401 -1.155 20 0 CAADHN Cc1nc(CN2CCN(C[C@@H](O)[C@@H](C)O)CC2)n[nH]1 ZINC000930072408 656835974 /nfs/dbraw/zinc/83/59/74/656835974.db2.gz CNDJAAPVJWSJDX-MWLCHTKSSA-N 0 3 269.349 -1.028 20 0 CAADHN Cc1nc(CN2CCN(C[C@H](O)CO)CC2)n[nH]1 ZINC000930073117 656836311 /nfs/dbraw/zinc/83/63/11/656836311.db2.gz JUYKMZLKRNATQW-JTQLQIEISA-N 0 3 255.322 -1.416 20 0 CAADHN Cc1nc(CN2CCN(C[C@@H](O)[C@H](C)O)CC2)n[nH]1 ZINC000930072406 656836401 /nfs/dbraw/zinc/83/64/01/656836401.db2.gz CNDJAAPVJWSJDX-GXSJLCMTSA-N 0 3 269.349 -1.028 20 0 CAADHN CC[C@H](C)[C@H]1CN(C[C@@H](O)CO)CCN1C[C@@H](O)CO ZINC000930079706 656836788 /nfs/dbraw/zinc/83/67/88/656836788.db2.gz IINNYVXBAIYDJT-REWJHTLYSA-N 0 3 290.404 -1.275 20 0 CAADHN COC(=O)CCN1CCN(C[C@H](O)CO)[C@H](C)C1 ZINC000930237382 656837565 /nfs/dbraw/zinc/83/75/65/656837565.db2.gz SXCLXADMKWTRQU-MNOVXSKESA-N 0 3 260.334 -1.091 20 0 CAADHN C[C@H](O)[C@H](O)CN1C[C@@H](C)N(C[C@H](O)[C@H](C)O)[C@@H](C)C1 ZINC000930264001 656837959 /nfs/dbraw/zinc/83/79/59/656837959.db2.gz LCVJSPFSVBKHJW-JAYDOHCTSA-N 0 3 290.404 -1.136 20 0 CAADHN O=C1CO[C@H]2CCN(C[C@H](O)C3(O)CCC3)C[C@@H]2N1 ZINC000930679947 656839557 /nfs/dbraw/zinc/83/95/57/656839557.db2.gz SDTNTEDWPZPDCI-DCAQKATOSA-N 0 3 270.329 -1.148 20 0 CAADHN CCOC(=O)[C@@H]1CN(C[C@H](O)CO)CC12COC2 ZINC000930597834 656839767 /nfs/dbraw/zinc/83/97/67/656839767.db2.gz MXKSHMZAEGSFBF-UWVGGRQHSA-N 0 3 259.302 -1.149 20 0 CAADHN OCCOCCN(CCO)C[C@@H](O)C1(O)CCCC1 ZINC000930702961 656840745 /nfs/dbraw/zinc/84/07/45/656840745.db2.gz DXPPBFUYFACSAS-GFCCVEGCSA-N 0 3 277.361 -1.044 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN(C[C@H](O)[C@H](C)O)C1 ZINC000930713214 656841095 /nfs/dbraw/zinc/84/10/95/656841095.db2.gz DDBXSHYNYSKUIB-AXFHLTTASA-N 0 3 260.334 -1.235 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC[C@@H](O)C1(O)CCOCC1 ZINC000930703926 656841355 /nfs/dbraw/zinc/84/13/55/656841355.db2.gz HAIXSAYEEITHJR-HBNTYKKESA-N 0 3 261.318 -1.108 20 0 CAADHN CO[C@@H]1COC[C@H]1NC[C@@H](O)C1(O)CCOCC1 ZINC000930817185 656841629 /nfs/dbraw/zinc/84/16/29/656841629.db2.gz HAIXSAYEEITHJR-GMTAPVOTSA-N 0 3 261.318 -1.108 20 0 CAADHN CO[C@@H]1COC[C@H]1NC[C@H](O)C1(O)CCOCC1 ZINC000930817186 656842001 /nfs/dbraw/zinc/84/20/01/656842001.db2.gz HAIXSAYEEITHJR-MXWKQRLJSA-N 0 3 261.318 -1.108 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCN(C[C@H](O)[C@H](C)O)[C@H](C)[C@@H]1C ZINC000931071098 656843256 /nfs/dbraw/zinc/84/32/56/656843256.db2.gz BRYKCIPLFKYEOT-JAYDOHCTSA-N 0 3 290.404 -1.136 20 0 CAADHN CN1CCN(CCC(=O)N2CCOCC2)C[C@H]1CO ZINC000931411638 656845184 /nfs/dbraw/zinc/84/51/84/656845184.db2.gz USWFTCBRWZNUMM-LBPRGKRZSA-N 0 3 271.361 -1.156 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000931626978 656846857 /nfs/dbraw/zinc/84/68/57/656846857.db2.gz JFYNUSIHZOPSMX-LBPRGKRZSA-N 0 3 287.360 -1.072 20 0 CAADHN COC(=O)[C@](C)(O)CN1CCC(OC)(OC)[C@H](O)C1 ZINC000931633169 656847490 /nfs/dbraw/zinc/84/74/90/656847490.db2.gz GNTMBKZXVNCMAM-MWLCHTKSSA-N 0 3 277.317 -1.034 20 0 CAADHN CN1CC(=O)N(CCN[C@H]2C(=O)NCC2(C)C)C1=O ZINC000931655091 656848261 /nfs/dbraw/zinc/84/82/61/656848261.db2.gz IQQCMJHIBSUQJT-VIFPVBQESA-N 0 3 268.317 -1.005 20 0 CAADHN COC(=O)CNC(=O)CCN[C@H]1C(=O)NCC1(C)C ZINC000931663287 656848281 /nfs/dbraw/zinc/84/82/81/656848281.db2.gz RGLVRAJGCIRURS-JTQLQIEISA-N 0 3 271.317 -1.220 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CCN1C ZINC000931877380 656850222 /nfs/dbraw/zinc/85/02/22/656850222.db2.gz HVLBESAVLHZHMO-JTQLQIEISA-N 0 3 256.350 -1.173 20 0 CAADHN CCN(CCC(N)=O)Cc1cc(=O)n(C)c(=O)n1C ZINC000932480425 656853981 /nfs/dbraw/zinc/85/39/81/656853981.db2.gz JMABKOOOWPFREW-UHFFFAOYSA-N 0 3 268.317 -1.219 20 0 CAADHN CN(C)CCN1CCN(C(=O)Nc2nnn(C)n2)CC1=O ZINC000932252492 656854838 /nfs/dbraw/zinc/85/48/38/656854838.db2.gz GKPFFXJGNVGYEO-UHFFFAOYSA-N 0 3 296.335 -1.552 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CCN(C)C ZINC000934008713 656859411 /nfs/dbraw/zinc/85/94/11/656859411.db2.gz YPFQXQRYTOKVTR-SECBINFHSA-N 0 3 283.336 -1.802 20 0 CAADHN COC(=O)CNC(=O)CN1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934254920 656860009 /nfs/dbraw/zinc/86/00/09/656860009.db2.gz FORSBQGAMAAQSC-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN COC(=O)CNC(=O)CN1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934254921 656860309 /nfs/dbraw/zinc/86/03/09/656860309.db2.gz FORSBQGAMAAQSC-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000935981623 656865937 /nfs/dbraw/zinc/86/59/37/656865937.db2.gz SHLBFCDTSYOWEC-HTQZYQBOSA-N 0 3 257.290 -1.922 20 0 CAADHN COC(=O)C(C)(C)NS(=O)(=O)N1CCNCC1 ZINC000040860999 656866064 /nfs/dbraw/zinc/86/60/64/656866064.db2.gz FEUOMDGXDASWQH-UHFFFAOYSA-N 0 3 265.335 -1.322 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N[C@@H](CO)CN(C)C)C1 ZINC000935980945 656866093 /nfs/dbraw/zinc/86/60/93/656866093.db2.gz MUKMODURFPQUPS-GHMZBOCLSA-N 0 3 273.333 -1.728 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000935979905 656866188 /nfs/dbraw/zinc/86/61/88/656866188.db2.gz BLCSMNGMQTUZET-ONGXEEELSA-N 0 3 293.389 -1.503 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000935979902 656866290 /nfs/dbraw/zinc/86/62/90/656866290.db2.gz BLCSMNGMQTUZET-GXSJLCMTSA-N 0 3 293.389 -1.503 20 0 CAADHN CCNC(=O)CN(CC)S(=O)(=O)N1CCNCC1 ZINC000040860204 656866324 /nfs/dbraw/zinc/86/63/24/656866324.db2.gz BKNYNCDRVAKVIU-UHFFFAOYSA-N 0 3 278.378 -1.406 20 0 CAADHN C[C@H](NS(=O)(=O)N1CCNCC1)c1nncn1C ZINC000040860944 656866418 /nfs/dbraw/zinc/86/64/18/656866418.db2.gz ITFBCXVRKUZVEA-QMMMGPOBSA-N 0 3 274.350 -1.384 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N[C@H](CO)CN1CCCC1 ZINC000935983901 656866453 /nfs/dbraw/zinc/86/64/53/656866453.db2.gz FNOQBEXLKCRWFN-ZJUUUORDSA-N 0 3 283.328 -1.388 20 0 CAADHN CC(=O)N1CCCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000042689656 656867811 /nfs/dbraw/zinc/86/78/11/656867811.db2.gz LUFGJDLJTHQFRK-UHFFFAOYSA-N 0 3 290.389 -1.309 20 0 CAADHN CC(=O)N1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC000215177352 656868023 /nfs/dbraw/zinc/86/80/23/656868023.db2.gz ZVJASOXROXGGNI-NSHDSACASA-N 0 3 254.334 -1.419 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)Cc2nnc[nH]2)CCN1CC(N)=O ZINC000947907780 656870417 /nfs/dbraw/zinc/87/04/17/656870417.db2.gz KJFCPVJROKAOIA-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)CCN1CC(N)=O ZINC000947907777 656870437 /nfs/dbraw/zinc/87/04/37/656870437.db2.gz KJFCPVJROKAOIA-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CCC(NC(=O)C(N)=O)CC2)C1 ZINC000948414260 656873016 /nfs/dbraw/zinc/87/30/16/656873016.db2.gz VOCSYNKOKOJGSJ-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CCC(NC(=O)C(N)=O)CC2)C1 ZINC000948414261 656873282 /nfs/dbraw/zinc/87/32/82/656873282.db2.gz VOCSYNKOKOJGSJ-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)[C@H]1CCCNC1=O ZINC001017199644 656878555 /nfs/dbraw/zinc/87/85/55/656878555.db2.gz KPMRNTZLLZAVPH-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000951855768 656892190 /nfs/dbraw/zinc/89/21/90/656892190.db2.gz CSDXFCCBAKUCMN-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000952034901 656893972 /nfs/dbraw/zinc/89/39/72/656893972.db2.gz RYHQNHFTWDQKNK-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C(=O)C[C@@H]1CC(=O)NC1=O)C1CCN(CCO)CC1 ZINC001006483644 656893979 /nfs/dbraw/zinc/89/39/79/656893979.db2.gz YURFBDHTHSNRCD-JTQLQIEISA-N 0 3 297.355 -1.046 20 0 CAADHN CC1CCN(CC(=O)N(C)C2CN(C(=O)C(N)=O)C2)CC1 ZINC000955110020 656899120 /nfs/dbraw/zinc/89/91/20/656899120.db2.gz JTRDSEZGAHIFGO-UHFFFAOYSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)C(N)=O)C2)C1 ZINC000955343586 656900358 /nfs/dbraw/zinc/90/03/58/656900358.db2.gz DQRLEUAHAKFZAT-SECBINFHSA-N 0 3 282.344 -1.517 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cnccn1 ZINC000957838551 656924409 /nfs/dbraw/zinc/92/44/09/656924409.db2.gz PVWJSWRAJCTCSK-KOLCDFICSA-N 0 3 266.301 -1.509 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)no1 ZINC000957846603 656928432 /nfs/dbraw/zinc/92/84/32/656928432.db2.gz IJBBVYBKKJILRY-KOLCDFICSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1nnsc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000957874126 656928454 /nfs/dbraw/zinc/92/84/54/656928454.db2.gz NANWBZBBNQVOSZ-RKDXNWHRSA-N 0 3 286.357 -1.139 20 0 CAADHN Cc1cnc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cn1 ZINC000957842982 656928481 /nfs/dbraw/zinc/92/84/81/656928481.db2.gz QDXSTRZUAUTKSB-PWSUYJOCSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC000957847389 656929223 /nfs/dbraw/zinc/92/92/23/656929223.db2.gz QHIJLUJNMDBPEG-VXGBXAGGSA-N 0 3 281.312 -1.665 20 0 CAADHN Cc1cnc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cn1 ZINC000957842980 656929391 /nfs/dbraw/zinc/92/93/91/656929391.db2.gz QDXSTRZUAUTKSB-CMPLNLGQSA-N 0 3 280.328 -1.200 20 0 CAADHN Cc1nnsc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000957874124 656929407 /nfs/dbraw/zinc/92/94/07/656929407.db2.gz NANWBZBBNQVOSZ-DTWKUNHWSA-N 0 3 286.357 -1.139 20 0 CAADHN Cc1cnc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cn1 ZINC000957842983 656929650 /nfs/dbraw/zinc/92/96/50/656929650.db2.gz QDXSTRZUAUTKSB-ZYHUDNBSSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cnns1 ZINC000957886714 656930572 /nfs/dbraw/zinc/93/05/72/656930572.db2.gz MSMSQSZMHQMPDJ-HTQZYQBOSA-N 0 3 272.330 -1.447 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1ccon1 ZINC000957902120 656931117 /nfs/dbraw/zinc/93/11/17/656931117.db2.gz MOVJGBYKMYVQRN-WCBMZHEXSA-N 0 3 255.274 -1.311 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000957890169 656931617 /nfs/dbraw/zinc/93/16/17/656931617.db2.gz JKALWILKABCNII-ZJUUUORDSA-N 0 3 269.301 -1.002 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cnns1 ZINC000957886715 656931859 /nfs/dbraw/zinc/93/18/59/656931859.db2.gz MSMSQSZMHQMPDJ-JGVFFNPUSA-N 0 3 272.330 -1.447 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)nn1C ZINC000957889636 656932104 /nfs/dbraw/zinc/93/21/04/656932104.db2.gz BWOKOPQKSDKKHT-PWSUYJOCSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1ccn[nH]1 ZINC000957883485 656932131 /nfs/dbraw/zinc/93/21/31/656932131.db2.gz UVTFLEZFNQAQNS-WPRPVWTQSA-N 0 3 254.290 -1.576 20 0 CAADHN O=C(NC[C@@H]1CN(CCCO)C[C@H]1O)c1cnsn1 ZINC000957901958 656932359 /nfs/dbraw/zinc/93/23/59/656932359.db2.gz KBDZASNZASQCCX-PSASIEDQSA-N 0 3 286.357 -1.057 20 0 CAADHN Cc1ncc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)[nH]1 ZINC000957930272 656932936 /nfs/dbraw/zinc/93/29/36/656932936.db2.gz FFKUUZAFSVOFEG-GXSJLCMTSA-N 0 3 268.317 -1.267 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cocn1 ZINC000957915821 656933125 /nfs/dbraw/zinc/93/31/25/656933125.db2.gz YRFWTYCNVDRMFS-PSASIEDQSA-N 0 3 255.274 -1.311 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n(C)n1 ZINC000957915168 656935021 /nfs/dbraw/zinc/93/50/21/656935021.db2.gz RQZFQWZRHHFPOE-ZYHUDNBSSA-N 0 3 282.344 -1.257 20 0 CAADHN Nc1nccnc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000957939592 656936570 /nfs/dbraw/zinc/93/65/70/656936570.db2.gz LFJYDGNCWFLDJV-IUCAKERBSA-N 0 3 281.316 -1.926 20 0 CAADHN Nc1nccnc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000957939590 656936659 /nfs/dbraw/zinc/93/66/59/656936659.db2.gz LFJYDGNCWFLDJV-BDAKNGLRSA-N 0 3 281.316 -1.926 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC000957956708 656936925 /nfs/dbraw/zinc/93/69/25/656936925.db2.gz FVYNZZMMPSTBAV-WDEREUQCSA-N 0 3 281.312 -1.198 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000957966902 656937852 /nfs/dbraw/zinc/93/78/52/656937852.db2.gz WDJWZAYWYUDCSF-UWVGGRQHSA-N 0 3 269.301 -1.002 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)c1 ZINC000957983844 656938268 /nfs/dbraw/zinc/93/82/68/656938268.db2.gz WRYGOJSKUQSILC-MWLCHTKSSA-N 0 3 268.317 -1.565 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)c1 ZINC000957983843 656938354 /nfs/dbraw/zinc/93/83/54/656938354.db2.gz WRYGOJSKUQSILC-KOLCDFICSA-N 0 3 268.317 -1.565 20 0 CAADHN Cn1cnc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)c1 ZINC000957983845 656939088 /nfs/dbraw/zinc/93/90/88/656939088.db2.gz WRYGOJSKUQSILC-ONGXEEELSA-N 0 3 268.317 -1.565 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)ncn1 ZINC000957987691 656939299 /nfs/dbraw/zinc/93/92/99/656939299.db2.gz XVNYEGVJCIYCPU-PWSUYJOCSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)C1=CCOCC1 ZINC000957992821 656940055 /nfs/dbraw/zinc/94/00/55/656940055.db2.gz ZINRGJPCHHVLSC-RYUDHWBXSA-N 0 3 270.329 -1.266 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cncnc1 ZINC000957989684 656940151 /nfs/dbraw/zinc/94/01/51/656940151.db2.gz HJAIUOBMWUVDKH-WDEREUQCSA-N 0 3 266.301 -1.509 20 0 CAADHN Cc1nc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)co1 ZINC000958004135 656940259 /nfs/dbraw/zinc/94/02/59/656940259.db2.gz DINPMNDQJUMXMT-ONGXEEELSA-N 0 3 269.301 -1.002 20 0 CAADHN Cn1oc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cc1=O ZINC000958000097 656940295 /nfs/dbraw/zinc/94/02/95/656940295.db2.gz SJRHQSYQMWEEJZ-RKDXNWHRSA-N 0 3 285.300 -2.007 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cnn1 ZINC000957992107 656941088 /nfs/dbraw/zinc/94/10/88/656941088.db2.gz VKJXJLDUWWOKEQ-VXGBXAGGSA-N 0 3 280.328 -1.200 20 0 CAADHN Cc1nc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)co1 ZINC000958004134 656941381 /nfs/dbraw/zinc/94/13/81/656941381.db2.gz DINPMNDQJUMXMT-MWLCHTKSSA-N 0 3 269.301 -1.002 20 0 CAADHN Cn1oc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cc1=O ZINC000958000096 656941399 /nfs/dbraw/zinc/94/13/99/656941399.db2.gz SJRHQSYQMWEEJZ-IUCAKERBSA-N 0 3 285.300 -2.007 20 0 CAADHN Cn1ncc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)c1N ZINC000957995130 656941732 /nfs/dbraw/zinc/94/17/32/656941732.db2.gz LCWBMOSEXUSXJM-WCBMZHEXSA-N 0 3 283.332 -1.983 20 0 CAADHN Cn1oc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cc1=O ZINC000958000095 656941786 /nfs/dbraw/zinc/94/17/86/656941786.db2.gz SJRHQSYQMWEEJZ-DTWKUNHWSA-N 0 3 285.300 -2.007 20 0 CAADHN Cn1nncc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958036904 656942289 /nfs/dbraw/zinc/94/22/89/656942289.db2.gz WOBRCTSTKRVWQQ-WCBMZHEXSA-N 0 3 269.305 -2.170 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958048230 656942357 /nfs/dbraw/zinc/94/23/57/656942357.db2.gz ZYCVDJIHJYFQOM-NXEZZACHSA-N 0 3 268.317 -1.267 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958025495 656942475 /nfs/dbraw/zinc/94/24/75/656942475.db2.gz SYHHSWHLSXHUGZ-BDAKNGLRSA-N 0 3 269.305 -2.170 20 0 CAADHN Cn1nncc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958036903 656942732 /nfs/dbraw/zinc/94/27/32/656942732.db2.gz WOBRCTSTKRVWQQ-SCZZXKLOSA-N 0 3 269.305 -2.170 20 0 CAADHN Cc1ccnc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958031142 656943376 /nfs/dbraw/zinc/94/33/76/656943376.db2.gz NUHCPUREJSFJIM-QWRGUYRKSA-N 0 3 280.328 -1.200 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958048231 656944298 /nfs/dbraw/zinc/94/42/98/656944298.db2.gz ZYCVDJIHJYFQOM-UWVGGRQHSA-N 0 3 268.317 -1.267 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)nn1 ZINC000958036767 656944338 /nfs/dbraw/zinc/94/43/38/656944338.db2.gz UDTHXKQEOYGMLP-SCZZXKLOSA-N 0 3 269.305 -2.170 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1ncc[nH]1 ZINC000958056528 656944800 /nfs/dbraw/zinc/94/48/00/656944800.db2.gz OUVXKEANPVMJKT-RKDXNWHRSA-N 0 3 254.290 -1.576 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958048232 656944865 /nfs/dbraw/zinc/94/48/65/656944865.db2.gz ZYCVDJIHJYFQOM-VHSXEESVSA-N 0 3 268.317 -1.267 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cnn2c1CCC2 ZINC000958122369 656945308 /nfs/dbraw/zinc/94/53/08/656945308.db2.gz UYDLTLIQWNVRAU-GWCFXTLKSA-N 0 3 294.355 -1.156 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cn2c(n1)CCC2 ZINC000958080918 656945599 /nfs/dbraw/zinc/94/55/99/656945599.db2.gz GPEUILABIPZNHG-CMPLNLGQSA-N 0 3 294.355 -1.156 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cc1=O ZINC000958149777 656945679 /nfs/dbraw/zinc/94/56/79/656945679.db2.gz WMRANOGVKPGXHU-KOLCDFICSA-N 0 3 296.327 -2.205 20 0 CAADHN Cn1cnc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cc1=O ZINC000958149770 656945770 /nfs/dbraw/zinc/94/57/70/656945770.db2.gz WMRANOGVKPGXHU-GXSJLCMTSA-N 0 3 296.327 -2.205 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cnc2n1CCC2 ZINC000958149654 656945942 /nfs/dbraw/zinc/94/59/42/656945942.db2.gz VAUBUBYFZJFEBV-JQWIXIFHSA-N 0 3 294.355 -1.156 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cn2c(n1)CCC2 ZINC000958080921 656946003 /nfs/dbraw/zinc/94/60/03/656946003.db2.gz GPEUILABIPZNHG-PWSUYJOCSA-N 0 3 294.355 -1.156 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958063576 656946078 /nfs/dbraw/zinc/94/60/78/656946078.db2.gz NVYPDABHPAVOAL-GHMZBOCLSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cc2n(n1)CCC2 ZINC000958126050 656946225 /nfs/dbraw/zinc/94/62/25/656946225.db2.gz GUNFGALKDRQKDY-GXFFZTMASA-N 0 3 294.355 -1.156 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cnc2n1CCC2 ZINC000958149653 656946452 /nfs/dbraw/zinc/94/64/52/656946452.db2.gz VAUBUBYFZJFEBV-CMPLNLGQSA-N 0 3 294.355 -1.156 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cn2c(n1)CCC2 ZINC000958080922 656946558 /nfs/dbraw/zinc/94/65/58/656946558.db2.gz GPEUILABIPZNHG-ZYHUDNBSSA-N 0 3 294.355 -1.156 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)C1=COCCO1 ZINC000958138193 656946585 /nfs/dbraw/zinc/94/65/85/656946585.db2.gz GMRITPBREOMHGM-MIZYBKAJSA-N 0 3 293.323 -1.191 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958161579 656947126 /nfs/dbraw/zinc/94/71/26/656947126.db2.gz LENXYULYYBUVDX-MNOVXSKESA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@H]1C[N@H+](CCCO)C[C@H]1O)c1cnc[n-]c1=O ZINC000958172425 656947611 /nfs/dbraw/zinc/94/76/11/656947611.db2.gz UVBMCKSJFXWOCV-GXSJLCMTSA-N 0 3 296.327 -1.413 20 0 CAADHN O=C(NC[C@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnc[n-]c1=O ZINC000958172425 656947616 /nfs/dbraw/zinc/94/76/16/656947616.db2.gz UVBMCKSJFXWOCV-GXSJLCMTSA-N 0 3 296.327 -1.413 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC000958160833 656947798 /nfs/dbraw/zinc/94/77/98/656947798.db2.gz FFGUHNJCZUXQJX-ZJUUUORDSA-N 0 3 282.300 -1.803 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958165338 656948034 /nfs/dbraw/zinc/94/80/34/656948034.db2.gz UTNPFZPABWTDAE-IUCAKERBSA-N 0 3 284.316 -1.561 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958161581 656948127 /nfs/dbraw/zinc/94/81/27/656948127.db2.gz LENXYULYYBUVDX-QWRGUYRKSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@@H]1C[N@H+](CCO)C[C@H]1O)c1cnc[n-]c1=O ZINC000958172373 656948429 /nfs/dbraw/zinc/94/84/29/656948429.db2.gz TUHZVPMILYVWDK-PSASIEDQSA-N 0 3 282.300 -1.803 20 0 CAADHN O=C(NC[C@@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc[n-]c1=O ZINC000958172373 656948437 /nfs/dbraw/zinc/94/84/37/656948437.db2.gz TUHZVPMILYVWDK-PSASIEDQSA-N 0 3 282.300 -1.803 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958185896 656949167 /nfs/dbraw/zinc/94/91/67/656949167.db2.gz VOMPPSMGVHHUHR-MBTKJCJQSA-N 0 3 252.278 -2.288 20 0 CAADHN O=C(CN1CCCC1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958185230 656949326 /nfs/dbraw/zinc/94/93/26/656949326.db2.gz ONDGEPYFXVZRIJ-IWIIMEHWSA-N 0 3 267.329 -1.353 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1n[nH]c2c1CCC2 ZINC000958211134 656950132 /nfs/dbraw/zinc/95/01/32/656950132.db2.gz YTRZNDXZIOUOSX-CABZTGNLSA-N 0 3 294.355 -1.087 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)o1 ZINC000958240014 656950227 /nfs/dbraw/zinc/95/02/27/656950227.db2.gz XEFTVKMEGGQXOF-BDAKNGLRSA-N 0 3 297.311 -1.607 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)ccc1=O ZINC000958203891 656950677 /nfs/dbraw/zinc/95/06/77/656950677.db2.gz VMMQVPSXWQQCRH-RYUDHWBXSA-N 0 3 295.339 -1.600 20 0 CAADHN Cn1cncc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958228627 656951344 /nfs/dbraw/zinc/95/13/44/656951344.db2.gz QQCHUJAMDCBELF-ONGXEEELSA-N 0 3 268.317 -1.565 20 0 CAADHN Cc1nnccc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958224621 656951500 /nfs/dbraw/zinc/95/15/00/656951500.db2.gz XIIWMDHXWNXEKX-PWSUYJOCSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1n[nH]c2c1CCC2 ZINC000958211136 656951799 /nfs/dbraw/zinc/95/17/99/656951799.db2.gz YTRZNDXZIOUOSX-SKDRFNHKSA-N 0 3 294.355 -1.087 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)ccc1=O ZINC000958203889 656952010 /nfs/dbraw/zinc/95/20/10/656952010.db2.gz VMMQVPSXWQQCRH-NEPJUHHUSA-N 0 3 295.339 -1.600 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)ncc1=O ZINC000958272637 656953168 /nfs/dbraw/zinc/95/31/68/656953168.db2.gz MQMIMOGDPNDYGY-KOLCDFICSA-N 0 3 296.327 -2.205 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1csnn1 ZINC000958289435 656953390 /nfs/dbraw/zinc/95/33/90/656953390.db2.gz VPFQSDKHDJIIQA-IONNQARKSA-N 0 3 272.330 -1.447 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)ncc1=O ZINC000958272636 656953978 /nfs/dbraw/zinc/95/39/78/656953978.db2.gz MQMIMOGDPNDYGY-GXSJLCMTSA-N 0 3 296.327 -2.205 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)c1cn[nH]c1 ZINC000958311748 656955153 /nfs/dbraw/zinc/95/51/53/656955153.db2.gz VEEJARHJLGDOCR-YTWAJWBKSA-N 0 3 275.312 -1.042 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cnco1 ZINC000958300390 656956720 /nfs/dbraw/zinc/95/67/20/656956720.db2.gz PQJSJWIGHLYNAF-DTWKUNHWSA-N 0 3 255.274 -1.311 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cnco1 ZINC000958300389 656956755 /nfs/dbraw/zinc/95/67/55/656956755.db2.gz PQJSJWIGHLYNAF-BDAKNGLRSA-N 0 3 255.274 -1.311 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958320922 656957530 /nfs/dbraw/zinc/95/75/30/656957530.db2.gz RDWWZHDSRBCFHF-GHMZBOCLSA-N 0 3 282.344 -1.257 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958320923 656958515 /nfs/dbraw/zinc/95/85/15/656958515.db2.gz RDWWZHDSRBCFHF-MNOVXSKESA-N 0 3 282.344 -1.257 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H]2CN(CCCO)C[C@H]2O)n1 ZINC000958328881 656959505 /nfs/dbraw/zinc/95/95/05/656959505.db2.gz OMUZRCHXBCMPIO-RKDXNWHRSA-N 0 3 284.320 -2.385 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000958326427 656959613 /nfs/dbraw/zinc/95/96/13/656959613.db2.gz UEIPEMBJWYGKPR-GCHJQGSQSA-N 0 3 270.329 -1.720 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1csc(=O)[nH]1 ZINC000958333708 656959874 /nfs/dbraw/zinc/95/98/74/656959874.db2.gz JDZJLDPLZYNAOV-VXNVDRBHSA-N 0 3 287.341 -1.137 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958329457 656961042 /nfs/dbraw/zinc/96/10/42/656961042.db2.gz ZJZGMXNVBYHGAU-HTQZYQBOSA-N 0 3 270.293 -2.775 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1C[N@H+](CCO)C[C@H]1O ZINC000958344366 656961344 /nfs/dbraw/zinc/96/13/44/656961344.db2.gz GVOCSTIFONQDEX-VHSXEESVSA-N 0 3 296.327 -1.495 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958344366 656961364 /nfs/dbraw/zinc/96/13/64/656961364.db2.gz GVOCSTIFONQDEX-VHSXEESVSA-N 0 3 296.327 -1.495 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000958326428 656961559 /nfs/dbraw/zinc/96/15/59/656961559.db2.gz UEIPEMBJWYGKPR-HHHUOAJASA-N 0 3 270.329 -1.720 20 0 CAADHN Cc1nocc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958370424 656962650 /nfs/dbraw/zinc/96/26/50/656962650.db2.gz PUIIGGJICYUOMK-ONGXEEELSA-N 0 3 269.301 -1.002 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)[nH]c1=O ZINC000958378538 656962732 /nfs/dbraw/zinc/96/27/32/656962732.db2.gz KPOOCZCEYOXYBO-WPRPVWTQSA-N 0 3 284.316 -1.860 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1C ZINC000958349000 656962957 /nfs/dbraw/zinc/96/29/57/656962957.db2.gz CNMNLRUZTCLAIP-ZYHUDNBSSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC000958357722 656963068 /nfs/dbraw/zinc/96/30/68/656963068.db2.gz WSODNOPLUUEVOC-WPRPVWTQSA-N 0 3 282.300 -2.215 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)[nH]c1=O ZINC000958378536 656963766 /nfs/dbraw/zinc/96/37/66/656963766.db2.gz KPOOCZCEYOXYBO-SCZZXKLOSA-N 0 3 284.316 -1.860 20 0 CAADHN Cc1ncc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1C ZINC000958348998 656964532 /nfs/dbraw/zinc/96/45/32/656964532.db2.gz CNMNLRUZTCLAIP-JQWIXIFHSA-N 0 3 282.344 -1.257 20 0 CAADHN Cn1c(=O)cccc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958394540 656966050 /nfs/dbraw/zinc/96/60/50/656966050.db2.gz FPFFWLHNZGPKSI-PWSUYJOCSA-N 0 3 295.339 -1.600 20 0 CAADHN Cn1c(=O)cccc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958394539 656966420 /nfs/dbraw/zinc/96/64/20/656966420.db2.gz FPFFWLHNZGPKSI-JQWIXIFHSA-N 0 3 295.339 -1.600 20 0 CAADHN NC(=O)c1coc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)c1 ZINC000958405839 656966486 /nfs/dbraw/zinc/96/64/86/656966486.db2.gz WOPOOZMVVDIXFA-VHSXEESVSA-N 0 3 297.311 -1.607 20 0 CAADHN Cn1ncc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958481818 656967562 /nfs/dbraw/zinc/96/75/62/656967562.db2.gz SQQJFBSAUHRJOE-WPRPVWTQSA-N 0 3 269.305 -2.170 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC000958476178 656967705 /nfs/dbraw/zinc/96/77/05/656967705.db2.gz GQZZOJQNVWWQRY-ZJUUUORDSA-N 0 3 299.327 -2.560 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1ncccn1 ZINC000958514673 656969003 /nfs/dbraw/zinc/96/90/03/656969003.db2.gz CKLHFZGILNRWAP-UWVGGRQHSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cnon1 ZINC000958507347 656969419 /nfs/dbraw/zinc/96/94/19/656969419.db2.gz OTKJRQZZNYNMIV-APPZFPTMSA-N 0 3 256.262 -1.916 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cnon1 ZINC000958507349 656970142 /nfs/dbraw/zinc/97/01/42/656970142.db2.gz OTKJRQZZNYNMIV-IONNQARKSA-N 0 3 256.262 -1.916 20 0 CAADHN O=C(NC[C@H]1CN(CCF)C[C@@H]1O)c1ncn[nH]1 ZINC000958503118 656970493 /nfs/dbraw/zinc/97/04/93/656970493.db2.gz OLIXJUXZXMQQTE-YUMQZZPRSA-N 0 3 257.269 -1.203 20 0 CAADHN O=C(NC[C@H]1CN(CCF)C[C@@H]1O)c1nc[nH]n1 ZINC000958503118 656970500 /nfs/dbraw/zinc/97/05/00/656970500.db2.gz OLIXJUXZXMQQTE-YUMQZZPRSA-N 0 3 257.269 -1.203 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1ncccn1 ZINC000958514675 656970776 /nfs/dbraw/zinc/97/07/76/656970776.db2.gz CKLHFZGILNRWAP-ZJUUUORDSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@H]1CN(CCCO)C[C@@H]1O)c1cnon1 ZINC000958506559 656970816 /nfs/dbraw/zinc/97/08/16/656970816.db2.gz FPRLCVIUQRYNNK-WPRPVWTQSA-N 0 3 270.289 -1.526 20 0 CAADHN O=C(NC[C@@H]1CN(CCF)C[C@@H]1O)c1ncn[nH]1 ZINC000958503117 656971239 /nfs/dbraw/zinc/97/12/39/656971239.db2.gz OLIXJUXZXMQQTE-SFYZADRCSA-N 0 3 257.269 -1.203 20 0 CAADHN O=C(NC[C@@H]1CN(CCF)C[C@@H]1O)c1nc[nH]n1 ZINC000958503117 656971242 /nfs/dbraw/zinc/97/12/42/656971242.db2.gz OLIXJUXZXMQQTE-SFYZADRCSA-N 0 3 257.269 -1.203 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1ccncn1 ZINC000958506364 656971695 /nfs/dbraw/zinc/97/16/95/656971695.db2.gz DDSLOUUXFSVTRA-GXSJLCMTSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cnon1 ZINC000958507348 656971893 /nfs/dbraw/zinc/97/18/93/656971893.db2.gz OTKJRQZZNYNMIV-CBAPKCEASA-N 0 3 256.262 -1.916 20 0 CAADHN O=C(C[C@@H]1COC(=O)C1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958575964 656972927 /nfs/dbraw/zinc/97/29/27/656972927.db2.gz HOSAHHRQMJXEQJ-QISWUMQESA-N 0 3 268.313 -1.022 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)c1 ZINC000958526636 656973088 /nfs/dbraw/zinc/97/30/88/656973088.db2.gz ROMMMSXTYHSGIK-MWLCHTKSSA-N 0 3 296.327 -1.872 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958561979 656973492 /nfs/dbraw/zinc/97/34/92/656973492.db2.gz CRRIUKVGJLDECL-ZJUUUORDSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1conc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958569239 656973612 /nfs/dbraw/zinc/97/36/12/656973612.db2.gz FDMHFLDSUOFPFL-NXEZZACHSA-N 0 3 269.301 -1.002 20 0 CAADHN O=C(C[C@H]1COC(=O)C1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958575961 656974975 /nfs/dbraw/zinc/97/49/75/656974975.db2.gz HOSAHHRQMJXEQJ-DNJQJEMRSA-N 0 3 268.313 -1.022 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958561978 656975079 /nfs/dbraw/zinc/97/50/79/656975079.db2.gz CRRIUKVGJLDECL-VHSXEESVSA-N 0 3 269.301 -1.002 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cnn2cc[nH]c12 ZINC000958617443 656975858 /nfs/dbraw/zinc/97/58/58/656975858.db2.gz CXNNLENZCRPAOA-GXSJLCMTSA-N 0 3 293.327 -1.323 20 0 CAADHN Cn1cccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)c1=O ZINC000958595713 656975890 /nfs/dbraw/zinc/97/58/90/656975890.db2.gz UQGNPNONAPGGFK-JQWIXIFHSA-N 0 3 295.339 -1.600 20 0 CAADHN Cn1cccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)c1=O ZINC000958595714 656976040 /nfs/dbraw/zinc/97/60/40/656976040.db2.gz UQGNPNONAPGGFK-PWSUYJOCSA-N 0 3 295.339 -1.600 20 0 CAADHN Cn1cccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)c1=O ZINC000958595715 656976454 /nfs/dbraw/zinc/97/64/54/656976454.db2.gz UQGNPNONAPGGFK-ZYHUDNBSSA-N 0 3 295.339 -1.600 20 0 CAADHN Cn1cccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)c1=O ZINC000958595712 656976538 /nfs/dbraw/zinc/97/65/38/656976538.db2.gz UQGNPNONAPGGFK-CMPLNLGQSA-N 0 3 295.339 -1.600 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1ccc(=O)[nH]c1 ZINC000958644363 656976841 /nfs/dbraw/zinc/97/68/41/656976841.db2.gz JFMNLAYHUSWHME-WDEREUQCSA-N 0 3 281.312 -1.198 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)c1N ZINC000958639096 656977000 /nfs/dbraw/zinc/97/70/00/656977000.db2.gz XUZBMLBUQCFVJN-MYJAWHEDSA-N 0 3 265.317 -1.345 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)c[nH]1 ZINC000958685005 656978231 /nfs/dbraw/zinc/97/82/31/656978231.db2.gz PWMMOFIFRRWQPW-GXSJLCMTSA-N 0 3 296.327 -1.872 20 0 CAADHN Cc1nccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958697423 656978806 /nfs/dbraw/zinc/97/88/06/656978806.db2.gz QGWVWTPICPSQBP-PWSUYJOCSA-N 0 3 280.328 -1.200 20 0 CAADHN Cn1nncc1C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000958746407 656979165 /nfs/dbraw/zinc/97/91/65/656979165.db2.gz FZTMRZVUFAOHQL-QCBRBAQYSA-N 0 3 290.327 -1.636 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958758272 656979528 /nfs/dbraw/zinc/97/95/28/656979528.db2.gz DXOIIXCEQUXABF-RKDXNWHRSA-N 0 3 270.289 -1.607 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958766224 656979950 /nfs/dbraw/zinc/97/99/50/656979950.db2.gz IPWWSNRALDQVFX-UWVGGRQHSA-N 0 3 268.317 -1.267 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958766223 656980229 /nfs/dbraw/zinc/98/02/29/656980229.db2.gz IPWWSNRALDQVFX-NXEZZACHSA-N 0 3 268.317 -1.267 20 0 CAADHN Cc1nonc1C(=O)NC[C@H]1CN(CCCO)C[C@@H]1O ZINC000958759408 656980443 /nfs/dbraw/zinc/98/04/43/656980443.db2.gz ZYANKYSRYWJYFY-UWVGGRQHSA-N 0 3 284.316 -1.217 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)nn1 ZINC000958775616 656980549 /nfs/dbraw/zinc/98/05/49/656980549.db2.gz XQBFAMZFJHSXEY-MBTKJCJQSA-N 0 3 251.290 -1.533 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)c1ncc[nH]1 ZINC000958810177 656981191 /nfs/dbraw/zinc/98/11/91/656981191.db2.gz ZWRCVEGGTLAQAR-QCLAVDOMSA-N 0 3 275.312 -1.042 20 0 CAADHN Cc1nc(CC(=O)N[C@@H]2[C@H]3CN([C@H](C)C(N)=O)C[C@H]32)n[nH]1 ZINC000958817302 656982086 /nfs/dbraw/zinc/98/20/86/656982086.db2.gz YQGUEIXTJLUCBQ-WJOUQXRDSA-N 0 3 292.343 -1.424 20 0 CAADHN CC(C)NS(=O)(=O)CCNC(=O)COC1(C)CNC1 ZINC000648040337 656988851 /nfs/dbraw/zinc/98/88/51/656988851.db2.gz MBAGSCPDRINKSZ-UHFFFAOYSA-N 0 3 293.389 -1.191 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000253075022 656989114 /nfs/dbraw/zinc/98/91/14/656989114.db2.gz QBFSVFCTTZPZOX-HBNTYKKESA-N 0 3 285.344 -1.144 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000959900086 656990017 /nfs/dbraw/zinc/99/00/17/656990017.db2.gz KJALNLRFFNVIGD-LOKLDPHHSA-N 0 3 291.315 -2.392 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1 ZINC000959947183 656991842 /nfs/dbraw/zinc/99/18/42/656991842.db2.gz YSZYDXGDILTPRV-HMUNZLOLSA-N 0 3 281.356 -1.060 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)c1cccn2nnnc12 ZINC000960076118 656992035 /nfs/dbraw/zinc/99/20/35/656992035.db2.gz XHNPYOVHUWMOBR-URLYPYJESA-N 0 3 288.311 -1.223 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000960112766 656992542 /nfs/dbraw/zinc/99/25/42/656992542.db2.gz NJHNVGHDKIMKFQ-KLBPJQLPSA-N 0 3 290.327 -1.787 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@H]1CN[C@H]1CCCNC1=O ZINC000960114457 656992875 /nfs/dbraw/zinc/99/28/75/656992875.db2.gz LBPMLRKSTCZXPN-UWVGGRQHSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@H]1CN[C@@H]1CCNC1=O ZINC000960114854 656993070 /nfs/dbraw/zinc/99/30/70/656993070.db2.gz MNQBASMCQNBXJH-DTWKUNHWSA-N 0 3 268.317 -1.669 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)c1cc2n(n1)CCO2 ZINC000960297282 656994238 /nfs/dbraw/zinc/99/42/38/656994238.db2.gz MCADYJTYAFVNLM-GDGBQDQQSA-N 0 3 278.312 -1.072 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000960340184 656994324 /nfs/dbraw/zinc/99/43/24/656994324.db2.gz GBMIOKYGRATTBK-HGCLJGPKSA-N 0 3 270.329 -1.171 20 0 CAADHN O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)c1cnc[n-]c1=O ZINC000960477337 656995719 /nfs/dbraw/zinc/99/57/19/656995719.db2.gz WGTQHXALJBIDQY-MYJAWHEDSA-N 0 3 264.285 -1.166 20 0 CAADHN O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)c1cnc[n-]c1=O ZINC000960477337 656995730 /nfs/dbraw/zinc/99/57/30/656995730.db2.gz WGTQHXALJBIDQY-MYJAWHEDSA-N 0 3 264.285 -1.166 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)c1=O ZINC000960648579 656996657 /nfs/dbraw/zinc/99/66/57/656996657.db2.gz NOKIVFWLHGLPGK-JZYVYDRUSA-N 0 3 281.316 -2.380 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CCC(=O)NC1 ZINC000960731741 656998617 /nfs/dbraw/zinc/99/86/17/656998617.db2.gz RZNYEGORACIMQC-UXCLJVHYSA-N 0 3 267.329 -1.449 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000960868826 657000132 /nfs/dbraw/zinc/00/01/32/657000132.db2.gz YMUWJOGWJCNIJO-GDGBQDQQSA-N 0 3 294.311 -2.012 20 0 CAADHN NC(=O)N1CCC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1 ZINC000960897721 657001036 /nfs/dbraw/zinc/00/10/36/657001036.db2.gz KNPKAHAZAQVCMR-NNYUYHANSA-N 0 3 296.371 -1.184 20 0 CAADHN O=C(Cc1c[nH]cn1)N1C[C@@H](NC(=O)C(F)F)[C@@H](O)C1 ZINC000961089797 657002024 /nfs/dbraw/zinc/00/20/24/657002024.db2.gz HCPYJBADSDLAMT-SFYZADRCSA-N 0 3 288.254 -1.095 20 0 CAADHN NC(=O)CN1CCC[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC000961400254 657004773 /nfs/dbraw/zinc/00/47/73/657004773.db2.gz FNUPNZQBUMPVMK-NSHDSACASA-N 0 3 296.371 -1.092 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CCNC1=O ZINC000961483896 657006581 /nfs/dbraw/zinc/00/65/81/657006581.db2.gz UHPSUJMFPDUSOU-AXTSPUMRSA-N 0 3 253.302 -1.839 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000961646470 657009826 /nfs/dbraw/zinc/00/98/26/657009826.db2.gz IKHNXBYAQJLXFW-VOQBNFLRSA-N 0 3 280.284 -2.677 20 0 CAADHN Cc1noc(CCCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961651340 657010367 /nfs/dbraw/zinc/01/03/67/657010367.db2.gz UIDSEJFCDWLVLW-JZYVYDRUSA-N 0 3 293.327 -1.158 20 0 CAADHN C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCC(=O)N1 ZINC000961712881 657011234 /nfs/dbraw/zinc/01/12/34/657011234.db2.gz RGPUCNHNNXRWBI-JQEKQURRSA-N 0 3 267.329 -1.306 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN(CCN3C(=O)CCC3=O)C[C@H]21 ZINC000961666222 657011630 /nfs/dbraw/zinc/01/16/30/657011630.db2.gz ITYQMPPICNUZLM-VROVMSAKSA-N 0 3 294.311 -2.333 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)O1 ZINC000961744198 657012140 /nfs/dbraw/zinc/01/21/40/657012140.db2.gz LVFMHYNQWWPFGI-OGBGREFGSA-N 0 3 283.328 -1.942 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000962042291 657014958 /nfs/dbraw/zinc/01/49/58/657014958.db2.gz JVYMKXHRIHHWPX-MKHNBGRSSA-N 0 3 290.327 -1.636 20 0 CAADHN C[C@H](C(=O)N(C)C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962085199 657015743 /nfs/dbraw/zinc/01/57/43/657015743.db2.gz OJNLDGXEJBZILQ-IMSYWVGJSA-N 0 3 292.343 -1.059 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962089727 657016115 /nfs/dbraw/zinc/01/61/15/657016115.db2.gz VUYUTXVEBPIGAA-RULNZFCNSA-N 0 3 264.289 -1.662 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962089727 657016120 /nfs/dbraw/zinc/01/61/20/657016120.db2.gz VUYUTXVEBPIGAA-RULNZFCNSA-N 0 3 264.289 -1.662 20 0 CAADHN O=C(Cc1ncc[nH]1)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000962144869 657016727 /nfs/dbraw/zinc/01/67/27/657016727.db2.gz DFKZPSMAHSUGHN-COMAGPEQSA-N 0 3 289.339 -1.113 20 0 CAADHN O=C(Cc1ncc[nH]1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962149143 657016806 /nfs/dbraw/zinc/01/68/06/657016806.db2.gz QBXVHFIZZKMFDZ-GDGBQDQQSA-N 0 3 250.302 -1.009 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962249038 657017595 /nfs/dbraw/zinc/01/75/95/657017595.db2.gz CPBZPAVZHSLLIB-KIKITERTSA-N 0 3 290.327 -1.718 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC000962249038 657017601 /nfs/dbraw/zinc/01/76/01/657017601.db2.gz CPBZPAVZHSLLIB-KIKITERTSA-N 0 3 290.327 -1.718 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962480762 657020846 /nfs/dbraw/zinc/02/08/46/657020846.db2.gz DQINCVAKLJJFRT-VROVMSAKSA-N 0 3 282.300 -2.423 20 0 CAADHN O=C(Cn1ccccc1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962521062 657021388 /nfs/dbraw/zinc/02/13/88/657021388.db2.gz PKPNJENBFFIOJQ-YABSGUDNSA-N 0 3 277.324 -1.113 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000962491269 657021416 /nfs/dbraw/zinc/02/14/16/657021416.db2.gz XNNYWTBLEOHGPD-MIZYBKAJSA-N 0 3 290.327 -1.787 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962511893 657021476 /nfs/dbraw/zinc/02/14/76/657021476.db2.gz PLMQQURHGPCRQG-WOFXILAISA-N 0 3 281.312 -1.826 20 0 CAADHN NC(=O)c1nccnc1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962504854 657021553 /nfs/dbraw/zinc/02/15/53/657021553.db2.gz AAKIKAAAHPNAPM-BRPSZJMVSA-N 0 3 291.311 -1.772 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000962491268 657021625 /nfs/dbraw/zinc/02/16/25/657021625.db2.gz XNNYWTBLEOHGPD-KLBPJQLPSA-N 0 3 290.327 -1.787 20 0 CAADHN Cn1ccc(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000962563615 657022465 /nfs/dbraw/zinc/02/24/65/657022465.db2.gz GCNBWPVCOIOVNO-BSJXLVFVSA-N 0 3 289.339 -1.031 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CCc2nncn2C1 ZINC000962727133 657023260 /nfs/dbraw/zinc/02/32/60/657023260.db2.gz QHWPDYZGEANWSR-MEWQQHAOSA-N 0 3 291.355 -1.121 20 0 CAADHN O=C(Cn1ccnc1)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000963017761 657024415 /nfs/dbraw/zinc/02/44/15/657024415.db2.gz JYZFIZCXNVRVLL-SRRSOLGSSA-N 0 3 289.339 -1.182 20 0 CAADHN NC(=O)c1cccc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)n1 ZINC000962918292 657024539 /nfs/dbraw/zinc/02/45/39/657024539.db2.gz IBHLRKPLAORTQZ-GDGBQDQQSA-N 0 3 290.323 -1.167 20 0 CAADHN NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000963066733 657024556 /nfs/dbraw/zinc/02/45/56/657024556.db2.gz HDEJGJPDWJQGFZ-ZRUFSTJUSA-N 0 3 282.344 -1.432 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964963871 657031027 /nfs/dbraw/zinc/03/10/27/657031027.db2.gz MICCRBFMMPSZTI-NXEZZACHSA-N 0 3 268.321 -1.508 20 0 CAADHN C[C@H]1CCN(CCO)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964963873 657031140 /nfs/dbraw/zinc/03/11/40/657031140.db2.gz MICCRBFMMPSZTI-UWVGGRQHSA-N 0 3 268.321 -1.508 20 0 CAADHN C[C@H]1CCN(CCCO)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964963904 657031238 /nfs/dbraw/zinc/03/12/38/657031238.db2.gz MOOMUDNYIYKHIW-WDEREUQCSA-N 0 3 282.348 -1.118 20 0 CAADHN NC(=O)C[NH2+]C1CC2(CC(NC(=O)Cc3nnc[n-]3)C2)C1 ZINC000965812279 657035497 /nfs/dbraw/zinc/03/54/97/657035497.db2.gz ASHRBGWOBOLROO-UHFFFAOYSA-N 0 3 292.343 -1.151 20 0 CAADHN C[C@H]1CCN(CCO)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966129814 657035903 /nfs/dbraw/zinc/03/59/03/657035903.db2.gz FYUBOGWKRHFCEN-UWVGGRQHSA-N 0 3 268.321 -1.508 20 0 CAADHN C[C@H]1CCN(CCO)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000965920944 657036004 /nfs/dbraw/zinc/03/60/04/657036004.db2.gz BPORIZRAXQHWSS-VHSXEESVSA-N 0 3 283.332 -1.197 20 0 CAADHN C[C@H]1CCN(CCO)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966129815 657036530 /nfs/dbraw/zinc/03/65/30/657036530.db2.gz FYUBOGWKRHFCEN-VHSXEESVSA-N 0 3 268.321 -1.508 20 0 CAADHN C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1NC(=O)C(N)=O ZINC000966520279 657040602 /nfs/dbraw/zinc/04/06/02/657040602.db2.gz IDLUXHCSOPCHIU-KOLCDFICSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C(N)=O ZINC000966500663 657040655 /nfs/dbraw/zinc/04/06/55/657040655.db2.gz JMZNNPNRAKFBJY-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1NC(=O)C(N)=O ZINC000966500662 657041177 /nfs/dbraw/zinc/04/11/77/657041177.db2.gz JMZNNPNRAKFBJY-UWVGGRQHSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)C2=COCCO2)C1)C(N)=O ZINC000966708721 657042010 /nfs/dbraw/zinc/04/20/10/657042010.db2.gz GLDHGGPFMYADOA-RKDXNWHRSA-N 0 3 269.301 -1.061 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC000966708925 657042458 /nfs/dbraw/zinc/04/24/58/657042458.db2.gz JPKSIZYWPMYEIZ-MRVPVSSYSA-N 0 3 255.274 -1.450 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1)C(N)=O ZINC000966726564 657043176 /nfs/dbraw/zinc/04/31/76/657043176.db2.gz KQKSDXZVCOFPSX-JGVFFNPUSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1)C(N)=O ZINC000966726559 657043412 /nfs/dbraw/zinc/04/34/12/657043412.db2.gz KQKSDXZVCOFPSX-HTQZYQBOSA-N 0 3 279.300 -1.140 20 0 CAADHN O=C(c1ccc(=O)[nH]n1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000966729105 657043671 /nfs/dbraw/zinc/04/36/71/657043671.db2.gz XCZXRCBTCVFOAU-BDAKNGLRSA-N 0 3 291.311 -1.125 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@H]1NC(=O)CN1CCOCC1=O ZINC000966754946 657045138 /nfs/dbraw/zinc/04/51/38/657045138.db2.gz UJBQITJEIJZTGL-VXGBXAGGSA-N 0 3 299.371 -1.336 20 0 CAADHN C[C@H]1CCN(CCO)C[C@H]1NC(=O)CN1CCOCC1=O ZINC000966754944 657045499 /nfs/dbraw/zinc/04/54/99/657045499.db2.gz UJBQITJEIJZTGL-NWDGAFQWSA-N 0 3 299.371 -1.336 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000967057188 657047069 /nfs/dbraw/zinc/04/70/69/657047069.db2.gz YDCVMZSNNMSTLG-SECBINFHSA-N 0 3 251.290 -1.441 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1)N1CCC1 ZINC000966888483 657047213 /nfs/dbraw/zinc/04/72/13/657047213.db2.gz AHMLYQAWHCLBJP-SNVBAGLBSA-N 0 3 293.331 -1.904 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)Cn3cnnn3)C2)n[nH]1 ZINC000966888614 657047232 /nfs/dbraw/zinc/04/72/32/657047232.db2.gz CCYFKJZPMAQCEO-SECBINFHSA-N 0 3 291.319 -1.510 20 0 CAADHN O=C(CN1CCCC1=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000966886293 657047336 /nfs/dbraw/zinc/04/73/36/657047336.db2.gz TVUVOWVKMNQKIS-GHMZBOCLSA-N 0 3 294.355 -1.312 20 0 CAADHN O=C(CN1CCCC1=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000966886294 657047363 /nfs/dbraw/zinc/04/73/63/657047363.db2.gz TVUVOWVKMNQKIS-MNOVXSKESA-N 0 3 294.355 -1.312 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CCn2cncn2)C1)C(N)=O ZINC000967134431 657047445 /nfs/dbraw/zinc/04/74/45/657047445.db2.gz ODNRBVNGBUZCHC-VHSXEESVSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)Cn2cnnn2)C1)C(N)=O ZINC000966886263 657047461 /nfs/dbraw/zinc/04/74/61/657047461.db2.gz RVEJJHRPMNBSIC-JGVFFNPUSA-N 0 3 267.293 -2.263 20 0 CAADHN O=C(Cn1cccn1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000967056039 657047496 /nfs/dbraw/zinc/04/74/96/657047496.db2.gz QGHCSZIRKXDVQU-MNOVXSKESA-N 0 3 277.328 -1.038 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC000967403820 657048508 /nfs/dbraw/zinc/04/85/08/657048508.db2.gz HLGKQYOHLHLMIC-ZCFIWIBFSA-N 0 3 255.303 -1.173 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC000967283894 657048679 /nfs/dbraw/zinc/04/86/79/657048679.db2.gz IKSQGSPVVZVSLJ-BDAKNGLRSA-N 0 3 257.290 -1.922 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000967724885 657048935 /nfs/dbraw/zinc/04/89/35/657048935.db2.gz RYRRLHHKSMQOPX-VXGBXAGGSA-N 0 3 298.387 -1.763 20 0 CAADHN O=C(CCn1cncn1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000967156945 657048946 /nfs/dbraw/zinc/04/89/46/657048946.db2.gz XTTHEMDZSJPNOK-MNOVXSKESA-N 0 3 292.343 -1.253 20 0 CAADHN Cc1cnn(CC(=O)N2CC[C@@H](NCC(N)=O)C2)c1 ZINC000967420958 657049210 /nfs/dbraw/zinc/04/92/10/657049210.db2.gz BLZLAQDJCKPPST-SNVBAGLBSA-N 0 3 265.317 -1.133 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1)N1CCC1 ZINC000967285262 657049704 /nfs/dbraw/zinc/04/97/04/657049704.db2.gz ZXNLWPZLONKGQC-NEPJUHHUSA-N 0 3 297.355 -1.175 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000968087255 657050159 /nfs/dbraw/zinc/05/01/59/657050159.db2.gz SQWGDRYSYGTBAP-SECBINFHSA-N 0 3 252.274 -1.107 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000967768331 657050360 /nfs/dbraw/zinc/05/03/60/657050360.db2.gz SCPWLSPZPPPZBD-GMTAPVOTSA-N 0 3 294.355 -1.266 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC000968104280 657050412 /nfs/dbraw/zinc/05/04/12/657050412.db2.gz IEGIHZWBFZCYGY-SNVBAGLBSA-N 0 3 282.344 -1.325 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)CC(N)=O)C2)n[nH]1 ZINC000968123829 657050432 /nfs/dbraw/zinc/05/04/32/657050432.db2.gz LLWLPNBBVGRPPS-MRVPVSSYSA-N 0 3 266.305 -1.321 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000967767759 657050750 /nfs/dbraw/zinc/05/07/50/657050750.db2.gz NUTBCUDARWNIMY-HTQZYQBOSA-N 0 3 254.290 -2.059 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000967768333 657050970 /nfs/dbraw/zinc/05/09/70/657050970.db2.gz SCPWLSPZPPPZBD-OUAUKWLOSA-N 0 3 294.355 -1.266 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)C(N)=O ZINC000967749762 657050988 /nfs/dbraw/zinc/05/09/88/657050988.db2.gz KUDPSBRKRAQTHR-DJLDLDEBSA-N 0 3 268.317 -1.671 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](NCC(N)=O)C2)c1N ZINC000968472373 657053017 /nfs/dbraw/zinc/05/30/17/657053017.db2.gz AKJWVVHKMXBLHR-SSDOTTSWSA-N 0 3 266.305 -1.708 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000968390878 657053103 /nfs/dbraw/zinc/05/31/03/657053103.db2.gz DNCFINTXTXFVCZ-DTWKUNHWSA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CN2CCOCC2)C1)C(N)=O ZINC000968445526 657053149 /nfs/dbraw/zinc/05/31/49/657053149.db2.gz BOELFFSKQDTVIP-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)C(N)=O ZINC000968453876 657053198 /nfs/dbraw/zinc/05/31/98/657053198.db2.gz VEFHMCBSLPTWFO-HTQZYQBOSA-N 0 3 282.304 -1.952 20 0 CAADHN O=C(CN1CN=NC1=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000968454028 657053438 /nfs/dbraw/zinc/05/34/38/657053438.db2.gz WXQIAHGVFPZAIZ-RKDXNWHRSA-N 0 3 294.315 -1.937 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)C(N)=O ZINC000968453877 657053643 /nfs/dbraw/zinc/05/36/43/657053643.db2.gz VEFHMCBSLPTWFO-JGVFFNPUSA-N 0 3 282.304 -1.952 20 0 CAADHN O=C(CN1CCOCC1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000968445571 657053678 /nfs/dbraw/zinc/05/36/78/657053678.db2.gz CYSDOPXMEZRJPA-VXGBXAGGSA-N 0 3 296.371 -1.602 20 0 CAADHN Cc1cc(CC(=O)N2CC[C@@H](NCC(N)=O)C2)[nH]n1 ZINC000968385678 657053715 /nfs/dbraw/zinc/05/37/15/657053715.db2.gz YIHQZKOGKYZCII-SECBINFHSA-N 0 3 265.317 -1.064 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC000968514745 657054205 /nfs/dbraw/zinc/05/42/05/657054205.db2.gz YJZIEWBLCBYIFU-SECBINFHSA-N 0 3 266.305 -1.656 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)n[nH]1 ZINC000968552963 657054485 /nfs/dbraw/zinc/05/44/85/657054485.db2.gz KRJUORLPNCISNO-BDAKNGLRSA-N 0 3 294.315 -1.088 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cnnn2C)C1)C(N)=O ZINC000968552796 657054496 /nfs/dbraw/zinc/05/44/96/657054496.db2.gz HSEJSVYBMHOMCS-JGVFFNPUSA-N 0 3 266.305 -1.507 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1)N1CCC1 ZINC000968556273 657054558 /nfs/dbraw/zinc/05/45/58/657054558.db2.gz SOTRUWAFQLXUJQ-NXEZZACHSA-N 0 3 296.327 -1.482 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1)C(N)=O ZINC000968495620 657054728 /nfs/dbraw/zinc/05/47/28/657054728.db2.gz BWLVLFRFWGFRDH-HTQZYQBOSA-N 0 3 282.300 -1.344 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000968553237 657054754 /nfs/dbraw/zinc/05/47/54/657054754.db2.gz RVBJFECACYVNRR-BDAKNGLRSA-N 0 3 278.316 -1.492 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cn(C)nn2)C1)C(N)=O ZINC000968572676 657054823 /nfs/dbraw/zinc/05/48/23/657054823.db2.gz WJZILYBYJTYNCD-HTQZYQBOSA-N 0 3 266.305 -1.507 20 0 CAADHN O=C(CCn1ccnn1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000968514155 657055042 /nfs/dbraw/zinc/05/50/42/657055042.db2.gz KLGABWKQYSCTJR-MNOVXSKESA-N 0 3 292.343 -1.253 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)nn1 ZINC000968576279 657055077 /nfs/dbraw/zinc/05/50/77/657055077.db2.gz WTHUYBLAULIRHV-SSDOTTSWSA-N 0 3 252.278 -1.896 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)Cn2ncnn2)C1)C(N)=O ZINC000968680417 657055799 /nfs/dbraw/zinc/05/57/99/657055799.db2.gz XFMRYJDAJVNQGZ-HTQZYQBOSA-N 0 3 267.293 -2.263 20 0 CAADHN CN(C)c1cnc(C(=O)N2CC[C@@H](NCC(N)=O)C2)cn1 ZINC000968666752 657055858 /nfs/dbraw/zinc/05/58/58/657055858.db2.gz DENUTXOAYKBNJV-SECBINFHSA-N 0 3 292.343 -1.168 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)o1 ZINC000968581019 657055983 /nfs/dbraw/zinc/05/59/83/657055983.db2.gz KJLJEEAIQVOAAF-IONNQARKSA-N 0 3 281.316 -1.015 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000968630271 657056052 /nfs/dbraw/zinc/05/60/52/657056052.db2.gz ZTXPZVASCANSMC-SECBINFHSA-N 0 3 255.318 -1.033 20 0 CAADHN Cn1cc(CN[C@@H]2CCN(C(=O)Cn3ncnn3)C2)cn1 ZINC000968672505 657056150 /nfs/dbraw/zinc/05/61/50/657056150.db2.gz FYEOGEROUZWSJF-LLVKDONJSA-N 0 3 290.331 -1.203 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)[nH]1 ZINC000968633400 657056230 /nfs/dbraw/zinc/05/62/30/657056230.db2.gz UYPGSIQFVGTRGW-IONNQARKSA-N 0 3 280.332 -1.280 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)n1 ZINC000968583208 657056328 /nfs/dbraw/zinc/05/63/28/657056328.db2.gz CTJYAXPELZUJJI-NXEZZACHSA-N 0 3 292.343 -1.102 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC000968647933 657056359 /nfs/dbraw/zinc/05/63/59/657056359.db2.gz KZAPJIWWUJSUBT-NXEZZACHSA-N 0 3 271.317 -1.532 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)o1 ZINC000968581020 657056404 /nfs/dbraw/zinc/05/64/04/657056404.db2.gz KJLJEEAIQVOAAF-VXNVDRBHSA-N 0 3 281.316 -1.015 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)o1 ZINC000968581323 657056428 /nfs/dbraw/zinc/05/64/28/657056428.db2.gz ZWBSXEMJHZLANP-ZJUUUORDSA-N 0 3 293.327 -1.000 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@@H]1NC(=O)CN1C(=O)CCC1=O ZINC000968632359 657056472 /nfs/dbraw/zinc/05/64/72/657056472.db2.gz ONQBKAPZFZAJGW-MNOVXSKESA-N 0 3 297.355 -1.046 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC000968647934 657056572 /nfs/dbraw/zinc/05/65/72/657056572.db2.gz KZAPJIWWUJSUBT-ZJUUUORDSA-N 0 3 271.317 -1.532 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)Cn2nccn2)C1)N1CCC1 ZINC000968805754 657056939 /nfs/dbraw/zinc/05/69/39/657056939.db2.gz UDCGXGUMONFLMG-LLVKDONJSA-N 0 3 292.343 -1.299 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC000968742468 657056985 /nfs/dbraw/zinc/05/69/85/657056985.db2.gz BECDUMHKSBHBFT-SBMIAAHKSA-N 0 3 253.302 -1.301 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cccn3nnnc23)C1 ZINC000968792321 657057792 /nfs/dbraw/zinc/05/77/92/657057792.db2.gz WHDPVSWNHXUIEO-MRVPVSSYSA-N 0 3 289.299 -1.586 20 0 CAADHN O=C(Cn1nccn1)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000968807525 657057852 /nfs/dbraw/zinc/05/78/52/657057852.db2.gz FPGAWFSAAYTLFO-MNOVXSKESA-N 0 3 292.343 -1.253 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N2CC[C@@H](NCCF)C2)c1=O ZINC000968851500 657058527 /nfs/dbraw/zinc/05/85/27/657058527.db2.gz SKYWRVGSSSMWIK-SNVBAGLBSA-N 0 3 298.318 -1.293 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC000968929440 657058677 /nfs/dbraw/zinc/05/86/77/657058677.db2.gz HAHMMERXDUKTSM-SECBINFHSA-N 0 3 284.316 -2.479 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cn2cc(C3CC3)nn2)C1 ZINC000968907890 657058725 /nfs/dbraw/zinc/05/87/25/657058725.db2.gz XTRPMFUWZKXFLS-SNVBAGLBSA-N 0 3 292.343 -1.169 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000968897630 657058759 /nfs/dbraw/zinc/05/87/59/657058759.db2.gz JEUVJJZMGRTRRE-DTWKUNHWSA-N 0 3 268.317 -1.812 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC000968895445 657059235 /nfs/dbraw/zinc/05/92/35/657059235.db2.gz INFFYSMSPAXLMX-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000968897631 657059250 /nfs/dbraw/zinc/05/92/50/657059250.db2.gz JEUVJJZMGRTRRE-RKDXNWHRSA-N 0 3 268.317 -1.812 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000968952197 657059341 /nfs/dbraw/zinc/05/93/41/657059341.db2.gz DSSGFHCTUHTHTQ-RQJHMYQMSA-N 0 3 283.288 -2.740 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1)C(N)=O ZINC000968962115 657059350 /nfs/dbraw/zinc/05/93/50/657059350.db2.gz XFCPSNLRUKXFDT-RKDXNWHRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@H]([NH2+][C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1)C(N)=O ZINC000969035013 657059738 /nfs/dbraw/zinc/05/97/38/657059738.db2.gz LIDGSOMAIWCEFP-JGVFFNPUSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCNC(=O)C1 ZINC000969077458 657060177 /nfs/dbraw/zinc/06/01/77/657060177.db2.gz RYARVTSXRDKWNG-NOZJJQNGSA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@H](O)CN1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006682730 657060255 /nfs/dbraw/zinc/06/02/55/657060255.db2.gz IHZLUZLFXVQTBL-UWVGGRQHSA-N 0 3 268.321 -1.366 20 0 CAADHN Cc1cc(=O)c(C(=O)N2CC[C@@H](NCC(N)=O)C2)cn1C ZINC000969006079 657060731 /nfs/dbraw/zinc/06/07/31/657060731.db2.gz WSUNKNMYEWZDNW-SNVBAGLBSA-N 0 3 292.339 -1.017 20 0 CAADHN O=C(c1cnc[n-]c1=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969035780 657060773 /nfs/dbraw/zinc/06/07/73/657060773.db2.gz ZCBJYHRAGXHKLV-MRVPVSSYSA-N 0 3 252.274 -1.021 20 0 CAADHN C[C@H](O)CN1CCC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007503374 657064520 /nfs/dbraw/zinc/06/45/20/657064520.db2.gz BGEUXCMJQQPBCW-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@@H]1CCCN(CCCO)C1 ZINC001007504835 657066011 /nfs/dbraw/zinc/06/60/11/657066011.db2.gz OFSUWZITEJITFS-GFCCVEGCSA-N 0 3 299.371 -1.192 20 0 CAADHN C[C@H](O)CN1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007708541 657067038 /nfs/dbraw/zinc/06/70/38/657067038.db2.gz YGZYZZSHDKJXSG-WDEREUQCSA-N 0 3 297.359 -1.457 20 0 CAADHN C[C@@H](O)CN1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007708449 657067415 /nfs/dbraw/zinc/06/74/15/657067415.db2.gz YGZYZZSHDKJXSG-MNOVXSKESA-N 0 3 297.359 -1.457 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2CCCN(CCCO)C2)c1=O ZINC001007707096 657067474 /nfs/dbraw/zinc/06/74/74/657067474.db2.gz SHDCGGKJYGBCMK-LLVKDONJSA-N 0 3 297.359 -1.455 20 0 CAADHN O=C(N[C@H]1CCCN(CCCO)C1)[C@@H]1CNC(=O)N1 ZINC001008379059 657073587 /nfs/dbraw/zinc/07/35/87/657073587.db2.gz ZFGJCHIQDSQOAN-UWVGGRQHSA-N 0 3 270.333 -1.369 20 0 CAADHN C[C@H](O)CN1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008900002 657077399 /nfs/dbraw/zinc/07/73/99/657077399.db2.gz MMAXXORWYRTTLY-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@H](O)CN1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008900007 657077661 /nfs/dbraw/zinc/07/76/61/657077661.db2.gz MMAXXORWYRTTLY-VHSXEESVSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@H](O)CN1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009459657 657080925 /nfs/dbraw/zinc/08/09/25/657080925.db2.gz LKJVRESNPKRPOU-VHSXEESVSA-N 0 3 298.343 -1.500 20 0 CAADHN O=C(Cn1cnnn1)N[C@H]1CCN(CCCO)C1 ZINC001010080077 657084281 /nfs/dbraw/zinc/08/42/81/657084281.db2.gz PDRNJMLATUJXDT-VIFPVBQESA-N 0 3 254.294 -1.754 20 0 CAADHN O=C(CN1CCCC1=O)N[C@@H]1CCN(CCO)C1 ZINC001010109168 657084973 /nfs/dbraw/zinc/08/49/73/657084973.db2.gz XAEMQXAPSAMFPW-SNVBAGLBSA-N 0 3 255.318 -1.208 20 0 CAADHN CO[C@@H](C)CN1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010111051 657086722 /nfs/dbraw/zinc/08/67/22/657086722.db2.gz XGXIJXKYJJTHGE-UWVGGRQHSA-N 0 3 268.321 -1.102 20 0 CAADHN CO[C@H](C)CN1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010111054 657087126 /nfs/dbraw/zinc/08/71/26/657087126.db2.gz XGXIJXKYJJTHGE-ZJUUUORDSA-N 0 3 268.321 -1.102 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@H]2CCN(CCCO)C2)C1 ZINC001010428944 657091084 /nfs/dbraw/zinc/09/10/84/657091084.db2.gz RYTNTIUSUZOJDD-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@H]2CCN(CCCO)C2)C1 ZINC001010428945 657091406 /nfs/dbraw/zinc/09/14/06/657091406.db2.gz RYTNTIUSUZOJDD-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN O=C(CN1CCOCC1)N[C@@H]1CCN(CCCO)C1 ZINC001010677612 657093703 /nfs/dbraw/zinc/09/37/03/657093703.db2.gz XTVQJMOJVHNLDD-GFCCVEGCSA-N 0 3 271.361 -1.109 20 0 CAADHN O=C(CN1CCOCC1)N[C@H]1CCN(CCCO)C1 ZINC001010677615 657093993 /nfs/dbraw/zinc/09/39/93/657093993.db2.gz XTVQJMOJVHNLDD-LBPRGKRZSA-N 0 3 271.361 -1.109 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010662664 657094421 /nfs/dbraw/zinc/09/44/21/657094421.db2.gz KHIGRCZEUUFOCW-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010662663 657094797 /nfs/dbraw/zinc/09/47/97/657094797.db2.gz KHIGRCZEUUFOCW-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN CC[C@H](C(=O)N1CCN(C(=O)CC(N)=O)CC1)N(C)C ZINC001010800741 657097450 /nfs/dbraw/zinc/09/74/50/657097450.db2.gz WONGQJFJRAHTER-SNVBAGLBSA-N 0 3 284.360 -1.127 20 0 CAADHN CN(CC(=O)N1CCN(C(=O)C(N)=O)CC1)C1CCC1 ZINC001011281903 657107687 /nfs/dbraw/zinc/10/76/87/657107687.db2.gz AOEPLUPBNFFRCF-UHFFFAOYSA-N 0 3 282.344 -1.373 20 0 CAADHN CC[C@@H](C(=O)N1CCN(C(=O)C(N)=O)CC1)N(C)C ZINC001011664436 657114044 /nfs/dbraw/zinc/11/40/44/657114044.db2.gz TVFXUHSCANWYRV-VIFPVBQESA-N 0 3 270.333 -1.517 20 0 CAADHN C[C@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CN1CCCC1 ZINC001011770582 657115329 /nfs/dbraw/zinc/11/53/29/657115329.db2.gz DUQUQZOZBJVYHF-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001012014308 657119626 /nfs/dbraw/zinc/11/96/26/657119626.db2.gz BSLVBVJSRGNYDS-DTWKUNHWSA-N 0 3 293.327 -1.148 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC001013965320 657140187 /nfs/dbraw/zinc/14/01/87/657140187.db2.gz FYOYRDMSGCDUEH-VXNVDRBHSA-N 0 3 293.327 -1.148 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014431746 657145818 /nfs/dbraw/zinc/14/58/18/657145818.db2.gz VEJBJSOLQOSEHG-BDAKNGLRSA-N 0 3 254.294 -1.756 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014431755 657145857 /nfs/dbraw/zinc/14/58/57/657145857.db2.gz VEJBJSOLQOSEHG-RKDXNWHRSA-N 0 3 254.294 -1.756 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014432290 657146151 /nfs/dbraw/zinc/14/61/51/657146151.db2.gz WMLXSPGMBQCJJO-VIFPVBQESA-N 0 3 254.294 -1.490 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014566204 657148192 /nfs/dbraw/zinc/14/81/92/657148192.db2.gz PPCDOUWEFDUPIJ-ZJUUUORDSA-N 0 3 253.306 -1.151 20 0 CAADHN NC(=O)c1ncn(CC(=O)N[C@H]2CCN(CCCF)C2)n1 ZINC001014503906 657148440 /nfs/dbraw/zinc/14/84/40/657148440.db2.gz SUMWJISWOGQWQJ-VIFPVBQESA-N 0 3 298.322 -1.073 20 0 CAADHN NC(=O)c1ncn(CC(=O)N[C@@H]2CCN(CCCO)C2)n1 ZINC001014507143 657148636 /nfs/dbraw/zinc/14/86/36/657148636.db2.gz JRBCWHRXLMBYTI-SECBINFHSA-N 0 3 296.331 -2.050 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014504359 657148707 /nfs/dbraw/zinc/14/87/07/657148707.db2.gz VIQSWMHKEJCURM-SECBINFHSA-N 0 3 296.331 -1.786 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014503985 657148959 /nfs/dbraw/zinc/14/89/59/657148959.db2.gz TVJKSZGWJMABFP-DTWKUNHWSA-N 0 3 296.331 -2.052 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014566202 657148993 /nfs/dbraw/zinc/14/89/93/657148993.db2.gz PPCDOUWEFDUPIJ-UWVGGRQHSA-N 0 3 253.306 -1.151 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1CCN(CCCO)C1 ZINC001014575749 657151164 /nfs/dbraw/zinc/15/11/64/657151164.db2.gz URQFCPDVUNCQMO-SNVBAGLBSA-N 0 3 253.306 -1.149 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014741342 657152201 /nfs/dbraw/zinc/15/22/01/657152201.db2.gz OTYAXQHXWZHOBL-QWRGUYRKSA-N 0 3 285.344 -1.584 20 0 CAADHN O=C(C[C@H]1CCNC1=O)N[C@H]1CCN(CCO)C1 ZINC001014708559 657153494 /nfs/dbraw/zinc/15/34/94/657153494.db2.gz WURBTBAFXFHKND-ZJUUUORDSA-N 0 3 255.318 -1.305 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014741343 657153985 /nfs/dbraw/zinc/15/39/85/657153985.db2.gz OTYAXQHXWZHOBL-WDEREUQCSA-N 0 3 285.344 -1.584 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCN(CCO)C1 ZINC001014775028 657154118 /nfs/dbraw/zinc/15/41/18/657154118.db2.gz LSNBIEXIPGHWLS-YUMQZZPRSA-N 0 3 270.289 -2.233 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@H]1CCN(CCO)C1 ZINC001014742726 657154238 /nfs/dbraw/zinc/15/42/38/657154238.db2.gz UXQLKUKVUSCVDM-JTQLQIEISA-N 0 3 271.317 -1.972 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCN(CCCO)C1 ZINC001014775014 657154277 /nfs/dbraw/zinc/15/42/77/657154277.db2.gz LMMBHGNIWRRDQU-IUCAKERBSA-N 0 3 284.316 -1.843 20 0 CAADHN O=C(N[C@@H]1CCN(CCO)C1)c1cn[nH]c(=O)c1 ZINC001014828964 657156529 /nfs/dbraw/zinc/15/65/29/657156529.db2.gz LETJXYIUHDSUHH-SECBINFHSA-N 0 3 252.274 -1.021 20 0 CAADHN CN1CCN(CC(=O)N[C@H]2CCN(CCCO)C2)CC1=O ZINC001014993587 657157491 /nfs/dbraw/zinc/15/74/91/657157491.db2.gz AZVQMWCFHNXHCL-LBPRGKRZSA-N 0 3 298.387 -1.667 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003996 657157626 /nfs/dbraw/zinc/15/76/26/657157626.db2.gz NJEIEHZXCZETHO-NXEZZACHSA-N 0 3 283.332 -1.847 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2CCN(CCCO)C2)c1=O ZINC001015002839 657158129 /nfs/dbraw/zinc/15/81/29/657158129.db2.gz CHJAJMSPPYCDPQ-SNVBAGLBSA-N 0 3 283.332 -1.845 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015004084 657159177 /nfs/dbraw/zinc/15/91/77/657159177.db2.gz NJEIEHZXCZETHO-UWVGGRQHSA-N 0 3 283.332 -1.847 20 0 CAADHN Cn1cnn(CC(=O)N[C@H]2CCN(CCO)C2)c1=O ZINC001015012014 657159664 /nfs/dbraw/zinc/15/96/64/657159664.db2.gz ZIHTZCNSKWSRBQ-VIFPVBQESA-N 0 3 269.305 -2.235 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003951 657159765 /nfs/dbraw/zinc/15/97/65/657159765.db2.gz NEQKMHLEKHYQOY-SECBINFHSA-N 0 3 253.306 -1.208 20 0 CAADHN O=C(CN1CCCNC1=O)N[C@@H]1CCN(CCO)C1 ZINC001015086531 657160532 /nfs/dbraw/zinc/16/05/32/657160532.db2.gz DCIJACNBKWFMOY-SNVBAGLBSA-N 0 3 270.333 -1.416 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015080374 657162420 /nfs/dbraw/zinc/16/24/20/657162420.db2.gz GNQXVYNIUBATIQ-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015329341 657166130 /nfs/dbraw/zinc/16/61/30/657166130.db2.gz LEUYZGXVNMFGBY-ZJUUUORDSA-N 0 3 280.328 -1.035 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@H]1CCN(CCCO)C1 ZINC001015502627 657168033 /nfs/dbraw/zinc/16/80/33/657168033.db2.gz GTAFKSKNBCXWKG-NSHDSACASA-N 0 3 284.360 -2.009 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)N[C@H]2CCN(CCO)C2)c1=O ZINC001015488384 657168318 /nfs/dbraw/zinc/16/83/18/657168318.db2.gz STFZYOZICYWQFU-QMMMGPOBSA-N 0 3 282.300 -1.718 20 0 CAADHN CO[C@@H](C)CN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015509216 657169435 /nfs/dbraw/zinc/16/94/35/657169435.db2.gz LXPDAXRUXTVEGI-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@H]1CCN(CCO)C1 ZINC001015509192 657169648 /nfs/dbraw/zinc/16/96/48/657169648.db2.gz LRALXPKKWAGNSF-JTQLQIEISA-N 0 3 270.333 -2.399 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CCN(CCCO)C2)NC1=O ZINC001015507434 657169830 /nfs/dbraw/zinc/16/98/30/657169830.db2.gz DAVLLYOUYYMNBZ-NXEZZACHSA-N 0 3 270.333 -1.417 20 0 CAADHN COC[C@@H](C)N1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507519 657170566 /nfs/dbraw/zinc/17/05/66/657170566.db2.gz DUTTYGJMOYQLCM-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@H]1CCNC1=O ZINC001015524404 657172306 /nfs/dbraw/zinc/17/23/06/657172306.db2.gz OVSRUJDZJMLWLH-UWVGGRQHSA-N 0 3 255.318 -1.305 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@H]1CCNC1=O ZINC001015524408 657173389 /nfs/dbraw/zinc/17/33/89/657173389.db2.gz OVSRUJDZJMLWLH-ZJUUUORDSA-N 0 3 255.318 -1.305 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015622270 657176744 /nfs/dbraw/zinc/17/67/44/657176744.db2.gz DMPUMCFFNCICAA-DTWKUNHWSA-N 0 3 266.301 -1.045 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@H]1CNC(=O)N1 ZINC001015634090 657176958 /nfs/dbraw/zinc/17/69/58/657176958.db2.gz KYDFPTKIRLTJSV-RKDXNWHRSA-N 0 3 256.306 -1.759 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)c1c[nH]c(=O)cn1 ZINC001015622367 657177318 /nfs/dbraw/zinc/17/73/18/657177318.db2.gz GIQGICLIFXXSRD-VIFPVBQESA-N 0 3 266.301 -1.044 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCN(C[C@H]2CCNC(=O)CC2)C1 ZINC001015640158 657181879 /nfs/dbraw/zinc/18/18/79/657181879.db2.gz KMLPJOZJZWZRNM-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015836008 657188554 /nfs/dbraw/zinc/18/85/54/657188554.db2.gz AZHDLJWUGRVYSN-WPRPVWTQSA-N 0 3 283.328 -1.390 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015836005 657188676 /nfs/dbraw/zinc/18/86/76/657188676.db2.gz AZHDLJWUGRVYSN-SCZZXKLOSA-N 0 3 283.328 -1.390 20 0 CAADHN O=C(N[C@H]1CCN(CCn2cncn2)C1)c1nnc[nH]1 ZINC001015871341 657190301 /nfs/dbraw/zinc/19/03/01/657190301.db2.gz LYDGXEBOQYJIRU-VIFPVBQESA-N 0 3 276.304 -1.100 20 0 CAADHN O=C(N[C@H]1CCN(CCn2cncn2)C1)c1ncn[nH]1 ZINC001015871341 657190306 /nfs/dbraw/zinc/19/03/06/657190306.db2.gz LYDGXEBOQYJIRU-VIFPVBQESA-N 0 3 276.304 -1.100 20 0 CAADHN O=C(N[C@H]1CCN(CCn2cncn2)C1)c1nc[nH]n1 ZINC001015871341 657190311 /nfs/dbraw/zinc/19/03/11/657190311.db2.gz LYDGXEBOQYJIRU-VIFPVBQESA-N 0 3 276.304 -1.100 20 0 CAADHN CNC(=O)[C@H](C)N1CC[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001015871161 657190678 /nfs/dbraw/zinc/19/06/78/657190678.db2.gz IGUFLDDLYVLSEV-YUMQZZPRSA-N 0 3 266.305 -1.257 20 0 CAADHN O=C(N[C@@H]1CCN(CCn2cncn2)C1)c1nnc[nH]1 ZINC001015871339 657190820 /nfs/dbraw/zinc/19/08/20/657190820.db2.gz LYDGXEBOQYJIRU-SECBINFHSA-N 0 3 276.304 -1.100 20 0 CAADHN O=C(N[C@@H]1CCN(CCn2cncn2)C1)c1ncn[nH]1 ZINC001015871339 657190830 /nfs/dbraw/zinc/19/08/30/657190830.db2.gz LYDGXEBOQYJIRU-SECBINFHSA-N 0 3 276.304 -1.100 20 0 CAADHN O=C(N[C@@H]1CCN(CCn2cncn2)C1)c1nc[nH]n1 ZINC001015871339 657190842 /nfs/dbraw/zinc/19/08/42/657190842.db2.gz LYDGXEBOQYJIRU-SECBINFHSA-N 0 3 276.304 -1.100 20 0 CAADHN CO[C@H](C)CN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865827 657191212 /nfs/dbraw/zinc/19/12/12/657191212.db2.gz GTKNEMWQCLWJIF-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015866296 657191410 /nfs/dbraw/zinc/19/14/10/657191410.db2.gz NXGIZVPOAONFIN-DTWKUNHWSA-N 0 3 284.316 -1.891 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)N[C@@H]1CCN(CCCO)C1 ZINC001015952639 657193436 /nfs/dbraw/zinc/19/34/36/657193436.db2.gz YXOJRFPMEOZIJT-SNVBAGLBSA-N 0 3 298.343 -1.499 20 0 CAADHN O=C(Cc1nnc[nH]1)N[C@@H]1CCN(CCn2cncn2)C1 ZINC001015970647 657194650 /nfs/dbraw/zinc/19/46/50/657194650.db2.gz PRIMXLAPXRBXIC-SNVBAGLBSA-N 0 3 290.331 -1.171 20 0 CAADHN O=C(Cc1nnc[nH]1)N[C@@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001015967804 657195651 /nfs/dbraw/zinc/19/56/51/657195651.db2.gz NHXGZKXYAOBMFS-NXEZZACHSA-N 0 3 292.343 -1.184 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015988136 657196209 /nfs/dbraw/zinc/19/62/09/657196209.db2.gz SNBDFUBLFUOODK-UWVGGRQHSA-N 0 3 298.343 -1.548 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015988135 657196926 /nfs/dbraw/zinc/19/69/26/657196926.db2.gz SNBDFUBLFUOODK-NXEZZACHSA-N 0 3 298.343 -1.548 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015988138 657196966 /nfs/dbraw/zinc/19/69/66/657196966.db2.gz SNBDFUBLFUOODK-ZJUUUORDSA-N 0 3 298.343 -1.548 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015970027 657197178 /nfs/dbraw/zinc/19/71/78/657197178.db2.gz GTZHDXALQNVHEX-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN Cc1nn(CC(=O)N[C@@H]2CCN(C[C@@H](C)O)C2)c(=O)n1C ZINC001016140178 657198412 /nfs/dbraw/zinc/19/84/12/657198412.db2.gz FVSSRZZDLMWFEO-MWLCHTKSSA-N 0 3 297.359 -1.538 20 0 CAADHN Cc1nn(CC(=O)N[C@H]2CCN(CCO)C2)c(=O)n1C ZINC001016151525 657198599 /nfs/dbraw/zinc/19/85/99/657198599.db2.gz ZPUSMVXAIXGKOI-JTQLQIEISA-N 0 3 283.332 -1.927 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@@H]1CCC(=O)N1 ZINC001016034038 657198704 /nfs/dbraw/zinc/19/87/04/657198704.db2.gz MCABBJGGWKCVGM-UWVGGRQHSA-N 0 3 255.318 -1.162 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CCN(CCCO)C2)C1 ZINC001016143727 657198764 /nfs/dbraw/zinc/19/87/64/657198764.db2.gz BXHOFOUAAPKQDG-CHWSQXEVSA-N 0 3 299.371 -1.193 20 0 CAADHN Cc1nn(CC(=O)N[C@H]2CCN(C[C@H](C)O)C2)c(=O)n1C ZINC001016140180 657198921 /nfs/dbraw/zinc/19/89/21/657198921.db2.gz FVSSRZZDLMWFEO-ONGXEEELSA-N 0 3 297.359 -1.538 20 0 CAADHN Cc1nn(CC(=O)N[C@@H]2CCN(CCCO)C2)c(=O)n1C ZINC001016150252 657199118 /nfs/dbraw/zinc/19/91/18/657199118.db2.gz PABLVHBLMULLGQ-LLVKDONJSA-N 0 3 297.359 -1.537 20 0 CAADHN CC1(C)NC(=O)N(CC(=O)N[C@H]2CCN(CCO)C2)C1=O ZINC001016175768 657199818 /nfs/dbraw/zinc/19/98/18/657199818.db2.gz TVJRVKMWAPKNGZ-VIFPVBQESA-N 0 3 298.343 -1.500 20 0 CAADHN CO[C@@H](C)CN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016198902 657199873 /nfs/dbraw/zinc/19/98/73/657199873.db2.gz CGALAKSCKTWDCF-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016192238 657199891 /nfs/dbraw/zinc/19/98/91/657199891.db2.gz HBHVITUDCMXDPB-NXEZZACHSA-N 0 3 253.306 -1.151 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@@H]1CCN(CCO)C1 ZINC001016198816 657200162 /nfs/dbraw/zinc/20/01/62/657200162.db2.gz AKQAKTFALPWOJR-MRVPVSSYSA-N 0 3 270.289 -2.279 20 0 CAADHN O=C(Cn1cncn1)N[C@H]1CCN(CCCO)C1 ZINC001016186463 657200851 /nfs/dbraw/zinc/20/08/51/657200851.db2.gz GLIGJIZJTQEZOD-JTQLQIEISA-N 0 3 253.306 -1.149 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016192239 657201432 /nfs/dbraw/zinc/20/14/32/657201432.db2.gz HBHVITUDCMXDPB-UWVGGRQHSA-N 0 3 253.306 -1.151 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016192240 657201560 /nfs/dbraw/zinc/20/15/60/657201560.db2.gz HBHVITUDCMXDPB-VHSXEESVSA-N 0 3 253.306 -1.151 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016180159 657201896 /nfs/dbraw/zinc/20/18/96/657201896.db2.gz FJZLPEOEQRLRER-VHSXEESVSA-N 0 3 280.328 -1.035 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N[C@@H]1CCN(CCCO)C1 ZINC001016208747 657203332 /nfs/dbraw/zinc/20/33/32/657203332.db2.gz NTAOBJYRUOYMDG-SNVBAGLBSA-N 0 3 283.328 -1.292 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@H]2CCN(CCCO)C2)C1=O ZINC001016201012 657203539 /nfs/dbraw/zinc/20/35/39/657203539.db2.gz AVAHOZKLIUQIMB-JTQLQIEISA-N 0 3 298.343 -1.547 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016208285 657204044 /nfs/dbraw/zinc/20/40/44/657204044.db2.gz LRRMSLAOSWPZOZ-JTQLQIEISA-N 0 3 283.328 -1.028 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CCN(CCCO)C2)c(=O)[nH]c1=O ZINC001016240885 657204287 /nfs/dbraw/zinc/20/42/87/657204287.db2.gz VVTDGYUDXMIUBZ-SECBINFHSA-N 0 3 296.327 -1.328 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001016284942 657205337 /nfs/dbraw/zinc/20/53/37/657205337.db2.gz VNHIOGZKEUBNDZ-VHSXEESVSA-N 0 3 291.373 -1.749 20 0 CAADHN CCN1CCO[C@H](C(=O)N[C@H]2CCN(CCO)C2)C1 ZINC001016302711 657205826 /nfs/dbraw/zinc/20/58/26/657205826.db2.gz NWCNOTWYOIBPEV-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001016284941 657205925 /nfs/dbraw/zinc/20/59/25/657205925.db2.gz VNHIOGZKEUBNDZ-UWVGGRQHSA-N 0 3 291.373 -1.749 20 0 CAADHN CCN1CCO[C@@H](C(=O)N[C@@H]2CCN(CCO)C2)C1 ZINC001016302714 657206511 /nfs/dbraw/zinc/20/65/11/657206511.db2.gz NWCNOTWYOIBPEV-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CCN(CCCO)C1 ZINC001016303396 657206574 /nfs/dbraw/zinc/20/65/74/657206574.db2.gz WGZDNAXUMPKCNJ-CHWSQXEVSA-N 0 3 299.371 -1.193 20 0 CAADHN CC(C)N1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341538 657208123 /nfs/dbraw/zinc/20/81/23/657208123.db2.gz PDNLJSRIWOHAGG-SECBINFHSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016355190 657209198 /nfs/dbraw/zinc/20/91/98/657209198.db2.gz UIRCGRJYACYDNI-ZJUUUORDSA-N 0 3 282.344 -1.091 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016337864 657209454 /nfs/dbraw/zinc/20/94/54/657209454.db2.gz AUQUAAXQKANTKG-MRVPVSSYSA-N 0 3 266.305 -1.413 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CCN(CCO)C1 ZINC001016438540 657211688 /nfs/dbraw/zinc/21/16/88/657211688.db2.gz RBZDBKQSGAKPGA-RKDXNWHRSA-N 0 3 269.301 -1.778 20 0 CAADHN CN1CC[C@@H](N2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)C1=O ZINC001016801799 657212424 /nfs/dbraw/zinc/21/24/24/657212424.db2.gz AZIKITCXRWTMBK-ZJUUUORDSA-N 0 3 294.355 -1.327 20 0 CAADHN CN1CC[C@H](N2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)C1=O ZINC001016801798 657213222 /nfs/dbraw/zinc/21/32/22/657213222.db2.gz AZIKITCXRWTMBK-VHSXEESVSA-N 0 3 294.355 -1.327 20 0 CAADHN CN1CC[C@@H](N2CCC3(C[C@H]3NC(=O)C(N)=O)CC2)C1=O ZINC001016801792 657213244 /nfs/dbraw/zinc/21/32/44/657213244.db2.gz AZIKITCXRWTMBK-NXEZZACHSA-N 0 3 294.355 -1.327 20 0 CAADHN NC(=O)CN1CCC2(C[C@H]2NC(=O)c2nnc[nH]2)CC1 ZINC001016884417 657214819 /nfs/dbraw/zinc/21/48/19/657214819.db2.gz MWFLRMZFDMUSHZ-MRVPVSSYSA-N 0 3 278.316 -1.126 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016803365 657214915 /nfs/dbraw/zinc/21/49/15/657214915.db2.gz LYEMNYRNOVVBDX-ZJUUUORDSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016803362 657215265 /nfs/dbraw/zinc/21/52/65/657215265.db2.gz LYEMNYRNOVVBDX-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2CC(N(C)C(=O)C(N)=O)C2)C1 ZINC001016953288 657216084 /nfs/dbraw/zinc/21/60/84/657216084.db2.gz ZZBGVHRYKIIPSH-KPPDAEKUSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)[C@H]1CCNC1=O ZINC001017200060 657217615 /nfs/dbraw/zinc/21/76/15/657217615.db2.gz NKEDKVBWOBFENE-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C[C@H]1CCCN(C(=O)CC(N)=O)C1)[C@@H]1CCNC1=O ZINC001017082597 657218261 /nfs/dbraw/zinc/21/82/61/657218261.db2.gz TZQXERNPXWWOCF-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN COCC(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001018373565 657228287 /nfs/dbraw/zinc/22/82/87/657228287.db2.gz DLEHIZRZNDWUEX-DTWKUNHWSA-N 0 3 269.301 -1.372 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001018479096 657229293 /nfs/dbraw/zinc/22/92/93/657229293.db2.gz AUEOAIPSHUEDRM-ZETCQYMHSA-N 0 3 253.266 -2.651 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)Cn2cnnn2)C1)N1CCC1 ZINC001018479092 657229738 /nfs/dbraw/zinc/22/97/38/657229738.db2.gz AHMLYQAWHCLBJP-JTQLQIEISA-N 0 3 293.331 -1.904 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CN2CCCC2=O)C1)C(N)=O ZINC001018479510 657230050 /nfs/dbraw/zinc/23/00/50/657230050.db2.gz HBRNOGATHGWYIO-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001018458185 657230178 /nfs/dbraw/zinc/23/01/78/657230178.db2.gz JPKSIZYWPMYEIZ-QMMMGPOBSA-N 0 3 255.274 -1.450 20 0 CAADHN Cn1cc(CN[C@H]2CCN(C(=O)Cn3cnnn3)C2)cn1 ZINC001018479591 657230613 /nfs/dbraw/zinc/23/06/13/657230613.db2.gz JLFFNFISBHORKD-NSHDSACASA-N 0 3 290.331 -1.203 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001018458885 657230881 /nfs/dbraw/zinc/23/08/81/657230881.db2.gz VIBIRTBFBNPFJH-ZETCQYMHSA-N 0 3 265.273 -1.528 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001018518182 657231348 /nfs/dbraw/zinc/23/13/48/657231348.db2.gz QKQBERXGXUYQKH-VIFPVBQESA-N 0 3 266.305 -1.656 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CCn2cncn2)C1)C(N)=O ZINC001018511997 657231430 /nfs/dbraw/zinc/23/14/30/657231430.db2.gz ODNRBVNGBUZCHC-UWVGGRQHSA-N 0 3 280.332 -1.268 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001018481321 657231787 /nfs/dbraw/zinc/23/17/87/657231787.db2.gz JFRNMGXKJAOURK-VHSXEESVSA-N 0 3 293.331 -1.858 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)Cn2cnnn2)C1)C(N)=O ZINC001018483203 657232159 /nfs/dbraw/zinc/23/21/59/657232159.db2.gz XNBSDRZTIBLQCQ-IUCAKERBSA-N 0 3 281.320 -1.873 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2cnnn2)C1)C(N)=O ZINC001018482405 657232394 /nfs/dbraw/zinc/23/23/94/657232394.db2.gz RVEJJHRPMNBSIC-SFYZADRCSA-N 0 3 267.293 -2.263 20 0 CAADHN CS(=O)(=O)CC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018586493 657233142 /nfs/dbraw/zinc/23/31/42/657233142.db2.gz SEFIBDBMVZTYPT-IUCAKERBSA-N 0 3 289.357 -1.890 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001018546110 657233614 /nfs/dbraw/zinc/23/36/14/657233614.db2.gz IKSQGSPVVZVSLJ-IUCAKERBSA-N 0 3 257.290 -1.922 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001018546109 657233698 /nfs/dbraw/zinc/23/36/98/657233698.db2.gz IKSQGSPVVZVSLJ-DTWKUNHWSA-N 0 3 257.290 -1.922 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC001018551671 657233775 /nfs/dbraw/zinc/23/37/75/657233775.db2.gz ARLRDTVRQWNCSS-LURJTMIESA-N 0 3 255.303 -1.173 20 0 CAADHN O=C(CN1CCCC1=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018485920 657233845 /nfs/dbraw/zinc/23/38/45/657233845.db2.gz TVUVOWVKMNQKIS-WDEREUQCSA-N 0 3 294.355 -1.312 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)Cn2cnnn2)C1)C(N)=O ZINC001018483202 657234195 /nfs/dbraw/zinc/23/41/95/657234195.db2.gz XNBSDRZTIBLQCQ-DTWKUNHWSA-N 0 3 281.320 -1.873 20 0 CAADHN Cn1nccc1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018608689 657234226 /nfs/dbraw/zinc/23/42/26/657234226.db2.gz YEHLSKUTQLADCE-QMMMGPOBSA-N 0 3 251.290 -1.291 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)CC(N)=O)C2)n[nH]1 ZINC001018646663 657234879 /nfs/dbraw/zinc/23/48/79/657234879.db2.gz LLWLPNBBVGRPPS-QMMMGPOBSA-N 0 3 266.305 -1.321 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001018625414 657234954 /nfs/dbraw/zinc/23/49/54/657234954.db2.gz SCPWLSPZPPPZBD-HBNTYKKESA-N 0 3 294.355 -1.266 20 0 CAADHN Cn1nnc(CN[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC001018627652 657235085 /nfs/dbraw/zinc/23/50/85/657235085.db2.gz HRBCRHHGOFMRGR-WDEREUQCSA-N 0 3 293.375 -1.005 20 0 CAADHN CN1CC[C@H](N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1=O ZINC001018621799 657235309 /nfs/dbraw/zinc/23/53/09/657235309.db2.gz MIKOMKPLMCMFJD-AXFHLTTASA-N 0 3 294.355 -1.314 20 0 CAADHN Cn1nnc(CN[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC001018627642 657236109 /nfs/dbraw/zinc/23/61/09/657236109.db2.gz HRBCRHHGOFMRGR-QWRGUYRKSA-N 0 3 293.375 -1.005 20 0 CAADHN Nc1nccnc1C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018643278 657236540 /nfs/dbraw/zinc/23/65/40/657236540.db2.gz MGDDYJUGGZGBMM-DTWKUNHWSA-N 0 3 290.327 -1.249 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018624171 657237029 /nfs/dbraw/zinc/23/70/29/657237029.db2.gz IULNMRJNFXJWBK-LPEHRKFASA-N 0 3 280.328 -1.656 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2nccnc2N)C1)C(N)=O ZINC001018643602 657237521 /nfs/dbraw/zinc/23/75/21/657237521.db2.gz RQJZDZQEEBJHFP-SFYZADRCSA-N 0 3 278.316 -1.263 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018647776 657237627 /nfs/dbraw/zinc/23/76/27/657237627.db2.gz ZXLFXHWYNVGJLI-YUMQZZPRSA-N 0 3 254.290 -2.059 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)CC(N)=O)C1)C(N)=O ZINC001018648962 657237772 /nfs/dbraw/zinc/23/77/72/657237772.db2.gz NWOKVLIAVOPDMU-JGVFFNPUSA-N 0 3 256.306 -1.684 20 0 CAADHN CN1CCC[C@H](N[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC001018647759 657238010 /nfs/dbraw/zinc/23/80/10/657238010.db2.gz ZIXUGBHOZTYVAX-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cnn(C)c2N)C1)C(N)=O ZINC001018749303 657239062 /nfs/dbraw/zinc/23/90/62/657239062.db2.gz PFOQZXFQLMRGQL-YUMQZZPRSA-N 0 3 280.332 -1.320 20 0 CAADHN COc1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)on1 ZINC001018747366 657239100 /nfs/dbraw/zinc/23/91/00/657239100.db2.gz ZXQINROVZCKREU-ZETCQYMHSA-N 0 3 268.273 -1.027 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CN2CCOCC2)C1)C(N)=O ZINC001018731646 657239548 /nfs/dbraw/zinc/23/95/48/657239548.db2.gz BOELFFSKQDTVIP-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN O=C(CN1CCOCC1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018731713 657239874 /nfs/dbraw/zinc/23/98/74/657239874.db2.gz CYSDOPXMEZRJPA-NWDGAFQWSA-N 0 3 296.371 -1.602 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)CN2CN=NC2=O)C1)C(N)=O ZINC001018745725 657239899 /nfs/dbraw/zinc/23/98/99/657239899.db2.gz TVGPGTAGOSXSNV-IUCAKERBSA-N 0 3 296.331 -1.562 20 0 CAADHN O=C(CN1CCOCC1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018731714 657240003 /nfs/dbraw/zinc/24/00/03/657240003.db2.gz CYSDOPXMEZRJPA-RYUDHWBXSA-N 0 3 296.371 -1.602 20 0 CAADHN Cn1cc(CN[C@H]2CCN(C(=O)CC(N)=O)C2)cn1 ZINC001018649491 657240160 /nfs/dbraw/zinc/24/01/60/657240160.db2.gz XDSCDVKEXILBPJ-JTQLQIEISA-N 0 3 265.317 -1.014 20 0 CAADHN Cc1c(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)C2)nnn1C ZINC001018658775 657240227 /nfs/dbraw/zinc/24/02/27/657240227.db2.gz JSQDPZKJZANIOP-CBAPKCEASA-N 0 3 280.332 -1.199 20 0 CAADHN Cn1cncc1CN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001018648990 657240354 /nfs/dbraw/zinc/24/03/54/657240354.db2.gz PKMBZJKSIGUUHQ-VIFPVBQESA-N 0 3 265.317 -1.014 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](NCC(N)=O)C2)c1 ZINC001018709761 657240562 /nfs/dbraw/zinc/24/05/62/657240562.db2.gz KCBJEJSPCIGHQL-QMMMGPOBSA-N 0 3 251.290 -1.291 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cnn(C)c2N)C1)C(N)=O ZINC001018749302 657240799 /nfs/dbraw/zinc/24/07/99/657240799.db2.gz PFOQZXFQLMRGQL-SFYZADRCSA-N 0 3 280.332 -1.320 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)CN2CCOCC2)C1)C(N)=O ZINC001018740562 657241150 /nfs/dbraw/zinc/24/11/50/657241150.db2.gz XLQKEQJPBUJUEJ-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001018708225 657241758 /nfs/dbraw/zinc/24/17/58/657241758.db2.gz DNCFINTXTXFVCZ-BDAKNGLRSA-N 0 3 268.317 -1.812 20 0 CAADHN Cc1c(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)nnn1C ZINC001018658298 657241895 /nfs/dbraw/zinc/24/18/95/657241895.db2.gz AMMOTWGWICYHOR-VHSXEESVSA-N 0 3 292.343 -1.184 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cn(C)nn2)C1)C(N)=O ZINC001018807561 657242333 /nfs/dbraw/zinc/24/23/33/657242333.db2.gz WJZILYBYJTYNCD-YUMQZZPRSA-N 0 3 266.305 -1.507 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001018795168 657242492 /nfs/dbraw/zinc/24/24/92/657242492.db2.gz QZPQNLRXBCCHRE-UWVGGRQHSA-N 0 3 292.343 -1.102 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2ncn(C)n2)C1)C(N)=O ZINC001018803003 657242902 /nfs/dbraw/zinc/24/29/02/657242902.db2.gz GGKOKXHVEROBEL-YUMQZZPRSA-N 0 3 266.305 -1.507 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)c2ncn(C)n2)C1)C(N)=O ZINC001018803457 657243268 /nfs/dbraw/zinc/24/32/68/657243268.db2.gz QBLHLNWPAYMMOB-DTWKUNHWSA-N 0 3 280.332 -1.117 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)C1 ZINC001018769749 657243310 /nfs/dbraw/zinc/24/33/10/657243310.db2.gz WDYVMONIURCOKR-NWDGAFQWSA-N 0 3 294.355 -1.456 20 0 CAADHN Cn1oc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)cc1=O ZINC001018774487 657243772 /nfs/dbraw/zinc/24/37/72/657243772.db2.gz IRWCZUUTTYGKBG-IUCAKERBSA-N 0 3 294.311 -1.329 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1)C(N)=O ZINC001018770115 657243813 /nfs/dbraw/zinc/24/38/13/657243813.db2.gz ARGALSDKLWNJJO-NWDGAFQWSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cnnn2C)C1)C(N)=O ZINC001018792235 657244513 /nfs/dbraw/zinc/24/45/13/657244513.db2.gz HSEJSVYBMHOMCS-YUMQZZPRSA-N 0 3 266.305 -1.507 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)nn1 ZINC001018806116 657245207 /nfs/dbraw/zinc/24/52/07/657245207.db2.gz WYWGSEULHNHIOW-UWVGGRQHSA-N 0 3 292.343 -1.102 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)c2cnnn2C)C1)C(N)=O ZINC001018794685 657245387 /nfs/dbraw/zinc/24/53/87/657245387.db2.gz LQVNFAHJANJMCP-DTWKUNHWSA-N 0 3 280.332 -1.117 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC001018777004 657245549 /nfs/dbraw/zinc/24/55/49/657245549.db2.gz CUGGQQAPJITTPT-JTQLQIEISA-N 0 3 263.301 -1.305 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)nn1 ZINC001018805892 657245579 /nfs/dbraw/zinc/24/55/79/657245579.db2.gz URNFJNOAJTXEPH-DTWKUNHWSA-N 0 3 278.316 -1.492 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)c2cn(C)nn2)C1)C(N)=O ZINC001018808758 657246736 /nfs/dbraw/zinc/24/67/36/657246736.db2.gz PMVVUSODNORIBK-IUCAKERBSA-N 0 3 280.332 -1.117 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018813031 657246907 /nfs/dbraw/zinc/24/69/07/657246907.db2.gz AMUTXCQTQRZOJG-VHSXEESVSA-N 0 3 292.343 -1.009 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001018850896 657247309 /nfs/dbraw/zinc/24/73/09/657247309.db2.gz GRJALRNKVYVVSF-VHSXEESVSA-N 0 3 293.331 -1.858 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC1=O ZINC001018933996 657249712 /nfs/dbraw/zinc/24/97/12/657249712.db2.gz BSUMEAIIGMRZAL-BDAKNGLRSA-N 0 3 268.317 -1.860 20 0 CAADHN NC(=O)c1ncn(CC(=O)N2CC[C@H](NCCF)C2)n1 ZINC001018871141 657249902 /nfs/dbraw/zinc/24/99/02/657249902.db2.gz WQGQEKDIZFWIQS-QMMMGPOBSA-N 0 3 284.295 -1.463 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2nccn2)C1)C(N)=O ZINC001018914588 657249944 /nfs/dbraw/zinc/24/99/44/657249944.db2.gz RJQJDUILSTXXTJ-IUCAKERBSA-N 0 3 266.305 -1.658 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cccn3nnnc23)C1 ZINC001018910583 657250179 /nfs/dbraw/zinc/25/01/79/657250179.db2.gz WHDPVSWNHXUIEO-QMMMGPOBSA-N 0 3 289.299 -1.586 20 0 CAADHN O=C(Cn1nccn1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018915920 657250189 /nfs/dbraw/zinc/25/01/89/657250189.db2.gz ZYASIUNVEMHTPJ-VHSXEESVSA-N 0 3 278.316 -1.643 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2nccn2)C1)C(N)=O ZINC001018914587 657250237 /nfs/dbraw/zinc/25/02/37/657250237.db2.gz RJQJDUILSTXXTJ-BDAKNGLRSA-N 0 3 266.305 -1.658 20 0 CAADHN O=C(Cn1nccn1)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001018915528 657250420 /nfs/dbraw/zinc/25/04/20/657250420.db2.gz FPGAWFSAAYTLFO-QWRGUYRKSA-N 0 3 292.343 -1.253 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001018873752 657250727 /nfs/dbraw/zinc/25/07/27/657250727.db2.gz BECDUMHKSBHBFT-AUTRQRHGSA-N 0 3 253.302 -1.301 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019006406 657251072 /nfs/dbraw/zinc/25/10/72/657251072.db2.gz YSSSPGDNHZBCDT-ZETCQYMHSA-N 0 3 267.289 -1.287 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)C(N)=O ZINC001018997922 657251277 /nfs/dbraw/zinc/25/12/77/657251277.db2.gz HHUNPDBLEKHFCE-SFYZADRCSA-N 0 3 270.333 -1.438 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cnc3n2CCOC3)C1 ZINC001018994255 657251317 /nfs/dbraw/zinc/25/13/17/657251317.db2.gz NANUDURCRRVTMD-VIFPVBQESA-N 0 3 293.327 -1.297 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001018959070 657251451 /nfs/dbraw/zinc/25/14/51/657251451.db2.gz JEUVJJZMGRTRRE-IUCAKERBSA-N 0 3 268.317 -1.812 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001018975097 657251580 /nfs/dbraw/zinc/25/15/80/657251580.db2.gz WBEQFONPHSWMAV-QMMMGPOBSA-N 0 3 279.300 -1.435 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018997956 657251598 /nfs/dbraw/zinc/25/15/98/657251598.db2.gz IQZSOCJIBIPXGA-DTWKUNHWSA-N 0 3 282.344 -1.423 20 0 CAADHN Cc1nn(C)cc1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018977125 657251707 /nfs/dbraw/zinc/25/17/07/657251707.db2.gz SSDTXRHPYVCBGR-NSHDSACASA-N 0 3 279.344 -1.053 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001018999276 657251754 /nfs/dbraw/zinc/25/17/54/657251754.db2.gz MHRQEOXCPBBGNB-IUCAKERBSA-N 0 3 268.317 -1.812 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H](NCCF)C1 ZINC001018983894 657251816 /nfs/dbraw/zinc/25/18/16/657251816.db2.gz MVYHIDBGJBMAQC-YUMQZZPRSA-N 0 3 272.280 -1.256 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001018998180 657252050 /nfs/dbraw/zinc/25/20/50/657252050.db2.gz SZRVWVHIZKQDFE-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN Cc1cc(=O)c(C(=O)N2CC[C@H](NCC(N)=O)C2)cn1C ZINC001019005229 657252274 /nfs/dbraw/zinc/25/22/74/657252274.db2.gz WSUNKNMYEWZDNW-JTQLQIEISA-N 0 3 292.339 -1.017 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)C(N)=O ZINC001018997971 657252303 /nfs/dbraw/zinc/25/23/03/657252303.db2.gz JBYZUSNYXMIEBE-IUCAKERBSA-N 0 3 284.360 -1.048 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001018974398 657252314 /nfs/dbraw/zinc/25/23/14/657252314.db2.gz HAHMMERXDUKTSM-VIFPVBQESA-N 0 3 284.316 -2.479 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018997957 657252386 /nfs/dbraw/zinc/25/23/86/657252386.db2.gz IQZSOCJIBIPXGA-IUCAKERBSA-N 0 3 282.344 -1.423 20 0 CAADHN Cn1cnn(CC(=O)N2CC[C@H](NCCF)C2)c1=O ZINC001019063281 657252855 /nfs/dbraw/zinc/25/28/55/657252855.db2.gz KGLPYRGRBIWFJO-VIFPVBQESA-N 0 3 271.296 -1.258 20 0 CAADHN COCCn1nccc1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019017111 657253277 /nfs/dbraw/zinc/25/32/77/657253277.db2.gz QANLZOOIECCISK-JTQLQIEISA-N 0 3 295.343 -1.181 20 0 CAADHN C[C@@H]([NH2+][C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1)C(N)=O ZINC001019014617 657253343 /nfs/dbraw/zinc/25/33/43/657253343.db2.gz LIDGSOMAIWCEFP-SFYZADRCSA-N 0 3 279.300 -1.140 20 0 CAADHN O=C(c1cnc[n-]c1=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019015105 657253363 /nfs/dbraw/zinc/25/33/63/657253363.db2.gz ZCBJYHRAGXHKLV-QMMMGPOBSA-N 0 3 252.274 -1.021 20 0 CAADHN O=C(c1cnc[n-]c1=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019017035 657253485 /nfs/dbraw/zinc/25/34/85/657253485.db2.gz KLVGGBREWGWNHD-WPRPVWTQSA-N 0 3 291.311 -1.125 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)C(N)=O ZINC001019063125 657253566 /nfs/dbraw/zinc/25/35/66/657253566.db2.gz BCNQPLGICKWIIQ-BDAKNGLRSA-N 0 3 296.331 -2.354 20 0 CAADHN COCc1nn(C)cc1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019058394 657253652 /nfs/dbraw/zinc/25/36/52/657253652.db2.gz CNJBJDQMWKBGFX-VIFPVBQESA-N 0 3 295.343 -1.144 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001019073814 657253943 /nfs/dbraw/zinc/25/39/43/657253943.db2.gz JNMGYAWSAHIPCS-IUCAKERBSA-N 0 3 268.317 -1.812 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001019073813 657254014 /nfs/dbraw/zinc/25/40/14/657254014.db2.gz JNMGYAWSAHIPCS-BDAKNGLRSA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1)C(N)=O ZINC001019167453 657254372 /nfs/dbraw/zinc/25/43/72/657254372.db2.gz RNMFNGXUAAJQDD-BDAKNGLRSA-N 0 3 293.327 -1.542 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001019120275 657254654 /nfs/dbraw/zinc/25/46/54/657254654.db2.gz VYJZFINYUAZNFS-UWVGGRQHSA-N 0 3 282.344 -1.279 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@H](NCC(N)=O)C2)CNC(=O)C1 ZINC001019184258 657254681 /nfs/dbraw/zinc/25/46/81/657254681.db2.gz JANONJAHHKGEEE-UFBFGSQYSA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1)C(N)=O ZINC001019167454 657254783 /nfs/dbraw/zinc/25/47/83/657254783.db2.gz RNMFNGXUAAJQDD-IUCAKERBSA-N 0 3 293.327 -1.542 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC001019113792 657254917 /nfs/dbraw/zinc/25/49/17/657254917.db2.gz GTBDYAHZLIMMEB-UWVGGRQHSA-N 0 3 297.359 -1.547 20 0 CAADHN CC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019111575 657254940 /nfs/dbraw/zinc/25/49/40/657254940.db2.gz XMLWKTDJDXKNPW-NEPJUHHUSA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1cncc1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019099976 657255008 /nfs/dbraw/zinc/25/50/08/657255008.db2.gz VDNKVBYYWMBCFB-QMMMGPOBSA-N 0 3 251.290 -1.291 20 0 CAADHN CCn1cc(CC(=O)N2CC[C@H](N[C@@H](C)C(N)=O)C2)nn1 ZINC001019176758 657255429 /nfs/dbraw/zinc/25/54/29/657255429.db2.gz LFNUKGLFGRSNTI-UWVGGRQHSA-N 0 3 294.359 -1.095 20 0 CAADHN Cc1cncn1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019153000 657255569 /nfs/dbraw/zinc/25/55/69/657255569.db2.gz LUXKKLIJQMKGIC-JTQLQIEISA-N 0 3 265.317 -1.133 20 0 CAADHN CCn1cc(CC(=O)N2CC[C@H](NCC(N)=O)C2)nn1 ZINC001019178019 657255905 /nfs/dbraw/zinc/25/59/05/657255905.db2.gz QHBBBMBSDVHTDB-VIFPVBQESA-N 0 3 280.332 -1.484 20 0 CAADHN CN1C(=O)CC[C@@H]1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019228603 657256468 /nfs/dbraw/zinc/25/64/68/657256468.db2.gz CBCYMSLWMYIKAP-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN CO[C@H](C(=O)N1CC[C@H](NCC(N)=O)C1)c1cnn(C)c1 ZINC001019195880 657256696 /nfs/dbraw/zinc/25/66/96/657256696.db2.gz MAFZFHVQRGPENI-JQWIXIFHSA-N 0 3 295.343 -1.217 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2nnn(C)n2)C1)C(N)=O ZINC001019255501 657256830 /nfs/dbraw/zinc/25/68/30/657256830.db2.gz HXUQIDGIXKMHOY-RQJHMYQMSA-N 0 3 267.293 -2.112 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019247796 657257145 /nfs/dbraw/zinc/25/71/45/657257145.db2.gz IGZNPYOGDWUAIE-DCAQKATOSA-N 0 3 294.355 -1.314 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1)C(N)=O ZINC001019236956 657257435 /nfs/dbraw/zinc/25/74/35/657257435.db2.gz KACXJCYIKAXFKD-YUMQZZPRSA-N 0 3 281.316 -1.196 20 0 CAADHN COc1nn(C)cc1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019230901 657257797 /nfs/dbraw/zinc/25/77/97/657257797.db2.gz AJSZGVAGBNDOAJ-QMMMGPOBSA-N 0 3 281.316 -1.282 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2nnn(C)n2)C1)C(N)=O ZINC001019255497 657258012 /nfs/dbraw/zinc/25/80/12/657258012.db2.gz HXUQIDGIXKMHOY-BQBZGAKWSA-N 0 3 267.293 -2.112 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)N2CC[C@H](NCC(N)=O)C2)c1=O ZINC001019227721 657258025 /nfs/dbraw/zinc/25/80/25/657258025.db2.gz PMZRMEHIAHFTHG-ZETCQYMHSA-N 0 3 295.299 -2.225 20 0 CAADHN CC[C@@H](C(=O)N1CC2(C1)CCN(C(=O)C(N)=O)C2)N(C)C ZINC001019211958 657258109 /nfs/dbraw/zinc/25/81/09/657258109.db2.gz BFWUBIQKHGJPKS-JTQLQIEISA-N 0 3 296.371 -1.127 20 0 CAADHN O=C(CN1CCNC(=O)C1)N1CC[C@H](NCCF)C1 ZINC001019234234 657258184 /nfs/dbraw/zinc/25/81/84/657258184.db2.gz CBLOBYYOKLMYSS-JTQLQIEISA-N 0 3 272.324 -1.422 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001019285442 657258663 /nfs/dbraw/zinc/25/86/63/657258663.db2.gz MMZSSLOOEPWMTG-KWQFWETISA-N 0 3 259.281 -1.209 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001019285441 657259326 /nfs/dbraw/zinc/25/93/26/657259326.db2.gz MMZSSLOOEPWMTG-GZMMTYOYSA-N 0 3 259.281 -1.209 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)C(N)=O ZINC001019301943 657259387 /nfs/dbraw/zinc/25/93/87/657259387.db2.gz KFQLJJGIDFSIEQ-YUMQZZPRSA-N 0 3 279.300 -1.552 20 0 CAADHN Cn1cc(CN[C@H]2CCN(C(=O)c3nnn(C)n3)C2)cn1 ZINC001019258815 657259410 /nfs/dbraw/zinc/25/94/10/657259410.db2.gz SYEJSZGNNDOJBO-JTQLQIEISA-N 0 3 290.331 -1.052 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)n1 ZINC001019258868 657259445 /nfs/dbraw/zinc/25/94/45/657259445.db2.gz WCEKTIOKYGDSOF-JGVFFNPUSA-N 0 3 279.304 -2.097 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)COc2cnn(C)c2)C1)C(N)=O ZINC001019293888 657259468 /nfs/dbraw/zinc/25/94/68/657259468.db2.gz KGZPQENCLTZFGW-ZJUUUORDSA-N 0 3 295.343 -1.137 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)C(N)=O ZINC001019263398 657259549 /nfs/dbraw/zinc/25/95/49/657259549.db2.gz DZJUWNSQYXQFTM-XXFSISAASA-N 0 3 267.329 -1.057 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)C(N)=O ZINC001019301815 657259593 /nfs/dbraw/zinc/25/95/93/657259593.db2.gz DQCQPJUCHOPPDB-DTWKUNHWSA-N 0 3 293.327 -1.162 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)COc2cnn(C)c2)C1)C(N)=O ZINC001019293887 657259808 /nfs/dbraw/zinc/25/98/08/657259808.db2.gz KGZPQENCLTZFGW-UWVGGRQHSA-N 0 3 295.343 -1.137 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H](N[C@@H]3CCN(C)C3=O)C2)n1 ZINC001019258922 657260041 /nfs/dbraw/zinc/26/00/41/657260041.db2.gz ZCFFIVWACHKLIH-DTWKUNHWSA-N 0 3 293.331 -1.755 20 0 CAADHN Cn1cncc1CN[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001019258686 657260173 /nfs/dbraw/zinc/26/01/73/657260173.db2.gz MVTFQEDZWJDSOF-VIFPVBQESA-N 0 3 290.331 -1.052 20 0 CAADHN CN1CC[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1=O ZINC001019262554 657260183 /nfs/dbraw/zinc/26/01/83/657260183.db2.gz TVOSIWFPRWGCNL-IUCAKERBSA-N 0 3 268.317 -1.860 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)c3nnn(C)n3)C2)n[nH]1 ZINC001019258640 657260602 /nfs/dbraw/zinc/26/06/02/657260602.db2.gz KPJUVTNZTAOWSF-QMMMGPOBSA-N 0 3 291.319 -1.359 20 0 CAADHN Cn1cncc1CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001019309025 657261024 /nfs/dbraw/zinc/26/10/24/657261024.db2.gz NPGDPLDMGOOTJZ-ONGXEEELSA-N 0 3 292.343 -1.208 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)n[nH]1 ZINC001019309255 657261405 /nfs/dbraw/zinc/26/14/05/657261405.db2.gz UOBSBDMTBFKQKV-IUCAKERBSA-N 0 3 293.331 -1.515 20 0 CAADHN CN1CCC[C@@H](N[C@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001019313510 657261874 /nfs/dbraw/zinc/26/18/74/657261874.db2.gz YEXWYRCJJCPHTD-DTWKUNHWSA-N 0 3 268.317 -1.717 20 0 CAADHN Cn1nccc1CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001019309172 657261973 /nfs/dbraw/zinc/26/19/73/657261973.db2.gz RKHWIFBCESBMMP-GXSJLCMTSA-N 0 3 292.343 -1.208 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1)C(N)=O ZINC001019340764 657263633 /nfs/dbraw/zinc/26/36/33/657263633.db2.gz GAXIZHOTFVJVTA-RVBZMBCESA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)C(N)=O ZINC001019315887 657263706 /nfs/dbraw/zinc/26/37/06/657263706.db2.gz WHMDLMBVXNDVFF-YUMQZZPRSA-N 0 3 268.317 -1.684 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)CC1 ZINC001019318505 657264275 /nfs/dbraw/zinc/26/42/75/657264275.db2.gz YGMXVWXLDFCWEP-UWVGGRQHSA-N 0 3 294.355 -1.279 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001019317018 657264339 /nfs/dbraw/zinc/26/43/39/657264339.db2.gz KPAHFPULLIVAFX-ZETCQYMHSA-N 0 3 254.290 -2.072 20 0 CAADHN Cc1ccn(CC(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001019401463 657266593 /nfs/dbraw/zinc/26/65/93/657266593.db2.gz QRZQKDQROCRVSM-JTQLQIEISA-N 0 3 265.317 -1.133 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CCc2cnn(C)n2)C1)C(N)=O ZINC001019392851 657266684 /nfs/dbraw/zinc/26/66/84/657266684.db2.gz SBCOMUOVFCVRFL-ONGXEEELSA-N 0 3 294.359 -1.188 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019390647 657266778 /nfs/dbraw/zinc/26/67/78/657266778.db2.gz WHVIPOFYUGKVKL-AEJSXWLSSA-N 0 3 282.344 -1.614 20 0 CAADHN C[C@]1(C(=O)N2CC[C@H](NCC(N)=O)C2)CCNC1=O ZINC001019375523 657267151 /nfs/dbraw/zinc/26/71/51/657267151.db2.gz LBOLDZIXNNNYBV-UFBFGSQYSA-N 0 3 268.317 -1.812 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001019377122 657267328 /nfs/dbraw/zinc/26/73/28/657267328.db2.gz NGWNZSYYJBHPEO-XHNCKOQMSA-N 0 3 284.316 -2.305 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@H](NCC(N)=O)C2)CCNC1=O ZINC001019375522 657267774 /nfs/dbraw/zinc/26/77/74/657267774.db2.gz LBOLDZIXNNNYBV-QPUJVOFHSA-N 0 3 268.317 -1.812 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001019444130 657267971 /nfs/dbraw/zinc/26/79/71/657267971.db2.gz JJYIVGLMEFAWGQ-BQBZGAKWSA-N 0 3 283.288 -2.740 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cc(C(N)=O)co2)C1 ZINC001019367519 657268126 /nfs/dbraw/zinc/26/81/26/657268126.db2.gz BTLDCHCTDWYYKR-QMMMGPOBSA-N 0 3 280.284 -1.332 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001019388228 657268730 /nfs/dbraw/zinc/26/87/30/657268730.db2.gz PQYXDRCLYHNEDN-RNJXMRFFSA-N 0 3 254.290 -2.216 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)C(N)=O ZINC001019507411 657269464 /nfs/dbraw/zinc/26/94/64/657269464.db2.gz BVKXPJLMSRMMBQ-APPZFPTMSA-N 0 3 296.327 -1.897 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)n1 ZINC001019511412 657269976 /nfs/dbraw/zinc/26/99/76/657269976.db2.gz MQVSAIMQIWZUGE-IUCAKERBSA-N 0 3 278.316 -1.492 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)n1 ZINC001019511616 657269992 /nfs/dbraw/zinc/26/99/92/657269992.db2.gz XWWZYOWEDKTMER-VHSXEESVSA-N 0 3 292.343 -1.102 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)c2cnn(C)n2)C1)C(N)=O ZINC001019509855 657270539 /nfs/dbraw/zinc/27/05/39/657270539.db2.gz RCVUPTLORFGELE-IUCAKERBSA-N 0 3 280.332 -1.117 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cnn(C)n2)C1)C(N)=O ZINC001019508405 657270637 /nfs/dbraw/zinc/27/06/37/657270637.db2.gz IMVZBRRNCBBIRX-YUMQZZPRSA-N 0 3 266.305 -1.507 20 0 CAADHN Cc1cc(=O)c(C(=O)N2CC[C@H](NCC(N)=O)C2)c[nH]1 ZINC001019601212 657271661 /nfs/dbraw/zinc/27/16/61/657271661.db2.gz WVGMALZUHHLNTD-VIFPVBQESA-N 0 3 278.312 -1.027 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC001019538761 657271686 /nfs/dbraw/zinc/27/16/86/657271686.db2.gz FWSASHUNLDTERK-QMMMGPOBSA-N 0 3 289.299 -1.586 20 0 CAADHN CN1CC[C@H]([NH2+][C@H]2CCN(C(=O)c3nc[n-]n3)C2)C1=O ZINC001019534673 657271775 /nfs/dbraw/zinc/27/17/75/657271775.db2.gz LYEWPYIQHRBQPP-IUCAKERBSA-N 0 3 278.316 -1.161 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCn2cnccc2=O)C1 ZINC001019580358 657271820 /nfs/dbraw/zinc/27/18/20/657271820.db2.gz PCPUUISKMPAPPS-JTQLQIEISA-N 0 3 293.327 -1.691 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C(N)=O ZINC001019527732 657272026 /nfs/dbraw/zinc/27/20/26/657272026.db2.gz RQLZZQKREIMXAW-YUMQZZPRSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cnon2)C1)C(N)=O ZINC001019540276 657272333 /nfs/dbraw/zinc/27/23/33/657272333.db2.gz NLIDOWUAZVXSTH-RQJHMYQMSA-N 0 3 253.262 -1.253 20 0 CAADHN O=C(c1cnon1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019540368 657272604 /nfs/dbraw/zinc/27/26/04/657272604.db2.gz RSJTXGDDWDIURG-JGVFFNPUSA-N 0 3 265.273 -1.238 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1)C(N)=O ZINC001019527731 657272962 /nfs/dbraw/zinc/27/29/62/657272962.db2.gz RQLZZQKREIMXAW-SFYZADRCSA-N 0 3 297.315 -2.398 20 0 CAADHN O=C(CCn1cnnn1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019558694 657273103 /nfs/dbraw/zinc/27/31/03/657273103.db2.gz HBOSFDAPXFTXAJ-UWVGGRQHSA-N 0 3 293.331 -1.858 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019589110 657273284 /nfs/dbraw/zinc/27/32/84/657273284.db2.gz CVUCMDQAEHUDTR-QMMMGPOBSA-N 0 3 267.289 -1.404 20 0 CAADHN CCn1nc(C(=O)N2CC[C@H](NCC(N)=O)C2)ccc1=O ZINC001019531246 657273330 /nfs/dbraw/zinc/27/33/30/657273330.db2.gz JSIAIYJWSVJNOS-VIFPVBQESA-N 0 3 293.327 -1.447 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001019533434 657273734 /nfs/dbraw/zinc/27/37/34/657273734.db2.gz RSZHQTQWSRXAGW-IUCAKERBSA-N 0 3 278.316 -1.113 20 0 CAADHN O=C(c1cnon1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019540369 657273803 /nfs/dbraw/zinc/27/38/03/657273803.db2.gz RSJTXGDDWDIURG-YUMQZZPRSA-N 0 3 265.273 -1.238 20 0 CAADHN CCn1cc(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)C2)nn1 ZINC001019578052 657273856 /nfs/dbraw/zinc/27/38/56/657273856.db2.gz TVECJNNFLQGTBZ-IUCAKERBSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@@H]([NH2+][C@H]1CCN(C(=O)c2nc[n-]n2)C1)C(N)=O ZINC001019533418 657273916 /nfs/dbraw/zinc/27/39/16/657273916.db2.gz QTGOBILVHIEZKM-RQJHMYQMSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2nc[nH]n2)C1)C(N)=O ZINC001019533418 657273929 /nfs/dbraw/zinc/27/39/29/657273929.db2.gz QTGOBILVHIEZKM-RQJHMYQMSA-N 0 3 252.278 -1.517 20 0 CAADHN CC(=O)N1CC[C@@](C)(C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019618447 657274589 /nfs/dbraw/zinc/27/45/89/657274589.db2.gz HJYQKNMJCSZHSI-SMDDNHRTSA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1cncc1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019655672 657274927 /nfs/dbraw/zinc/27/49/27/657274927.db2.gz VGGYTZWQBHNMMI-VIFPVBQESA-N 0 3 265.317 -1.362 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1=O ZINC001019678545 657275513 /nfs/dbraw/zinc/27/55/13/657275513.db2.gz MIKOMKPLMCMFJD-GARJFASQSA-N 0 3 294.355 -1.314 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CN2CCC(=O)NC2=O)C1 ZINC001019618111 657276246 /nfs/dbraw/zinc/27/62/46/657276246.db2.gz WUHKKBJFLZLFEN-QMMMGPOBSA-N 0 3 297.315 -2.396 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC001019634078 657276696 /nfs/dbraw/zinc/27/66/96/657276696.db2.gz JGTNJUSLZPTKAQ-VHSXEESVSA-N 0 3 297.359 -1.405 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001019747812 657277449 /nfs/dbraw/zinc/27/74/49/657277449.db2.gz ITPUBGOFJLUBLY-ZETCQYMHSA-N 0 3 283.288 -2.786 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019720470 657277463 /nfs/dbraw/zinc/27/74/63/657277463.db2.gz JMBYKDUAOHKZCM-WDEREUQCSA-N 0 3 298.343 -2.091 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019719003 657278243 /nfs/dbraw/zinc/27/82/43/657278243.db2.gz IDLDVWLUEDLVJU-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001019752110 657278327 /nfs/dbraw/zinc/27/83/27/657278327.db2.gz GGVZKHMMQVCVPV-JGVFFNPUSA-N 0 3 297.315 -2.350 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C(N)=O ZINC001019748227 657278392 /nfs/dbraw/zinc/27/83/92/657278392.db2.gz QVFSDOLQWXEUCM-YUMQZZPRSA-N 0 3 297.315 -2.398 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019712933 657278569 /nfs/dbraw/zinc/27/85/69/657278569.db2.gz IOOZTTYFHFGXOE-MNOVXSKESA-N 0 3 282.344 -1.469 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC001019752643 657278629 /nfs/dbraw/zinc/27/86/29/657278629.db2.gz URLQCTDOHDNWFI-ZETCQYMHSA-N 0 3 292.299 -2.135 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019680541 657278680 /nfs/dbraw/zinc/27/86/80/657278680.db2.gz MJKIUKVXYLWGSA-QWRGUYRKSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)Cn1cc(C(=O)N2CC[C@H](NCCF)C2)nn1 ZINC001019820401 657279158 /nfs/dbraw/zinc/27/91/58/657279158.db2.gz ISDNRPWBQKIESR-QMMMGPOBSA-N 0 3 284.295 -1.463 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cn(CC(N)=O)nn2)C1 ZINC001019820534 657279189 /nfs/dbraw/zinc/27/91/89/657279189.db2.gz OJLPJSYSSVVPAA-ZETCQYMHSA-N 0 3 295.303 -2.947 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019838442 657279580 /nfs/dbraw/zinc/27/95/80/657279580.db2.gz MJKIUKVXYLWGSA-WDEREUQCSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001019787511 657279728 /nfs/dbraw/zinc/27/97/28/657279728.db2.gz PTAPIAAHLHIOMW-YUMQZZPRSA-N 0 3 290.345 -2.646 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019780280 657279790 /nfs/dbraw/zinc/27/97/90/657279790.db2.gz RWKFKBXMIMEAES-RYUDHWBXSA-N 0 3 298.387 -1.370 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1 ZINC001019785618 657280096 /nfs/dbraw/zinc/28/00/96/657280096.db2.gz GTSKAZNPZICCFK-JTQLQIEISA-N 0 3 291.311 -1.530 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001019787510 657280769 /nfs/dbraw/zinc/28/07/69/657280769.db2.gz PTAPIAAHLHIOMW-JGVFFNPUSA-N 0 3 290.345 -2.646 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1)C(N)=O ZINC001019875928 657281262 /nfs/dbraw/zinc/28/12/62/657281262.db2.gz KLGBDUWITRDECB-GUBZILKMSA-N 0 3 297.359 -1.406 20 0 CAADHN C[C@@H](C(=O)N1CC[C@H](NCC(N)=O)C1)N1CCOCC1 ZINC001019892653 657281301 /nfs/dbraw/zinc/28/13/01/657281301.db2.gz SOOQVFITDDWZGX-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001019873578 657281462 /nfs/dbraw/zinc/28/14/62/657281462.db2.gz QSPNWMAGNGJNEX-IUCAKERBSA-N 0 3 283.332 -1.795 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC001019868766 657281891 /nfs/dbraw/zinc/28/18/91/657281891.db2.gz LHRFJWCVXYLWBP-VIFPVBQESA-N 0 3 291.311 -1.530 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1)C(N)=O ZINC001019892674 657281921 /nfs/dbraw/zinc/28/19/21/657281921.db2.gz UDBZZGOJULKFBA-WOPDTQHZSA-N 0 3 298.387 -1.229 20 0 CAADHN Cn1cc(CCC(=O)N2CC[C@H](NCC(N)=O)C2)nn1 ZINC001019886597 657282152 /nfs/dbraw/zinc/28/21/52/657282152.db2.gz WZEGUSSIGKNFTC-VIFPVBQESA-N 0 3 280.332 -1.577 20 0 CAADHN Cn1nccc1CN[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001020156385 657289687 /nfs/dbraw/zinc/28/96/87/657289687.db2.gz JQJZRNXTQDEEGG-MGCOHNPYSA-N 0 3 290.331 -1.156 20 0 CAADHN C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(N)=O ZINC001020274761 657292889 /nfs/dbraw/zinc/29/28/89/657292889.db2.gz RBSZFVDUAFSYOJ-BWZBUEFSSA-N 0 3 279.300 -1.094 20 0 CAADHN O=C(N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)c1cnc[n-]c1=O ZINC001020275494 657293219 /nfs/dbraw/zinc/29/32/19/657293219.db2.gz QSWFTUCABCWIRE-NRPADANISA-N 0 3 291.311 -1.079 20 0 CAADHN Cn1ncc(CN[C@H]2C[C@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC001020341083 657294122 /nfs/dbraw/zinc/29/41/22/657294122.db2.gz LIFBEZQKFSQDMX-ZKCHVHJHSA-N 0 3 276.304 -1.016 20 0 CAADHN C[C@@H](N[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1)c1nnnn1C ZINC001020343004 657294173 /nfs/dbraw/zinc/29/41/73/657294173.db2.gz FFYZBGPDYMFPDZ-BWZBUEFSSA-N 0 3 291.319 -1.060 20 0 CAADHN Cn1ncnc1CN[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001020340850 657294429 /nfs/dbraw/zinc/29/44/29/657294429.db2.gz BQWNORVMBMMBDH-ZKCHVHJHSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1cnnc1CN[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001020340920 657294453 /nfs/dbraw/zinc/29/44/53/657294453.db2.gz FRNCCECQUYYFKZ-ZKCHVHJHSA-N 0 3 276.304 -1.016 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)c1nc[n-]n1 ZINC001276285551 782191274 /nfs/dbraw/zinc/19/12/74/782191274.db2.gz FILDPXWQAYYFAF-QMMMGPOBSA-N 0 3 268.321 -1.009 20 0 CAADHN C[C@H]1CN(CCN2CC[C@@](O)(C(N)=O)C2)CCO1 ZINC001257390498 782193025 /nfs/dbraw/zinc/19/30/25/782193025.db2.gz FTXAADQCXPPIQM-JQWIXIFHSA-N 0 3 257.334 -1.371 20 0 CAADHN COCC(=O)N1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC000686122763 782194251 /nfs/dbraw/zinc/19/42/51/782194251.db2.gz XYEDQGCHNZMTBD-LLVKDONJSA-N 0 3 284.360 -1.793 20 0 CAADHN COCC(=O)N1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC000686122764 782193658 /nfs/dbraw/zinc/19/36/58/782193658.db2.gz XYEDQGCHNZMTBD-NSHDSACASA-N 0 3 284.360 -1.793 20 0 CAADHN CC(C)NC(=O)CN(C)C(=O)[C@H]1CNCCN1C ZINC000686122654 782194656 /nfs/dbraw/zinc/19/46/56/782194656.db2.gz SJMOVBVQENXWQZ-SNVBAGLBSA-N 0 3 256.350 -1.127 20 0 CAADHN CN1CC(C(=O)N2CCN(C)[C@@H](CO)C2)=NC1=O ZINC000687589729 782196241 /nfs/dbraw/zinc/19/62/41/782196241.db2.gz BZMYKVZDCUMPHB-MRVPVSSYSA-N 0 3 254.290 -1.126 20 0 CAADHN CN1CCNC[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000686925021 782196424 /nfs/dbraw/zinc/19/64/24/782196424.db2.gz ITZNLDHZZSCRCG-UWVGGRQHSA-N 0 3 254.334 -1.325 20 0 CAADHN CN(CC(=O)NC1CC1)C(=O)[C@H]1CNCCN1C ZINC000686925565 782196471 /nfs/dbraw/zinc/19/64/71/782196471.db2.gz OQXPTTOGOTWFKN-SNVBAGLBSA-N 0 3 254.334 -1.373 20 0 CAADHN CN1CCNC[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000686925025 782196817 /nfs/dbraw/zinc/19/68/17/782196817.db2.gz ITZNLDHZZSCRCG-ZJUUUORDSA-N 0 3 254.334 -1.325 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000686925019 782196827 /nfs/dbraw/zinc/19/68/27/782196827.db2.gz ITZNLDHZZSCRCG-NXEZZACHSA-N 0 3 254.334 -1.325 20 0 CAADHN O=C(CCn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001111182845 782196955 /nfs/dbraw/zinc/19/69/55/782196955.db2.gz DLRNNGFOKCQVCO-MXWKQRLJSA-N 0 3 280.332 -1.223 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001111378061 782201140 /nfs/dbraw/zinc/20/11/40/782201140.db2.gz COUIFKOWIFWVJR-BBBLOLIVSA-N 0 3 270.333 -1.241 20 0 CAADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCO)[C@H]1CCNC1=O ZINC001095869426 782202201 /nfs/dbraw/zinc/20/22/01/782202201.db2.gz BZFJSUNUZRNGFD-RCWTZXSCSA-N 0 3 267.329 -1.164 20 0 CAADHN Cn1cc(CNC[C@H]2CCC[C@H]2NC(=O)C(N)=O)nn1 ZINC001037068647 782206183 /nfs/dbraw/zinc/20/61/83/782206183.db2.gz QCTPYCAZBWVJNV-PSASIEDQSA-N 0 3 280.332 -1.325 20 0 CAADHN Cn1cc(CNC[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)nn1 ZINC001037068650 782206221 /nfs/dbraw/zinc/20/62/21/782206221.db2.gz QCTPYCAZBWVJNV-WPRPVWTQSA-N 0 3 280.332 -1.325 20 0 CAADHN Cc1nnc(CNC[C@@H]2CCC[C@H]2NC(=O)C(N)=O)[nH]1 ZINC001037068236 782206447 /nfs/dbraw/zinc/20/64/47/782206447.db2.gz KQWKTTHAYBPBGL-DTWKUNHWSA-N 0 3 280.332 -1.027 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114676378 782209314 /nfs/dbraw/zinc/20/93/14/782209314.db2.gz XIOSUDVKJAEXCI-MEWQQHAOSA-N 0 3 299.371 -1.447 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN(CCOCC3CC3)C[C@H]21 ZINC001114752752 782211694 /nfs/dbraw/zinc/21/16/94/782211694.db2.gz KMCWXDPAHHKPMK-URLYPYJESA-N 0 3 267.329 -1.055 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001114764420 782214077 /nfs/dbraw/zinc/21/40/77/782214077.db2.gz USUDKVLBNPSXGP-QCLAVDOMSA-N 0 3 292.339 -1.813 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114863022 782217145 /nfs/dbraw/zinc/21/71/45/782217145.db2.gz UJBPSEIKLOLBDQ-QAHWYCSRSA-N 0 3 292.343 -1.343 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114863022 782217150 /nfs/dbraw/zinc/21/71/50/782217150.db2.gz UJBPSEIKLOLBDQ-QAHWYCSRSA-N 0 3 292.343 -1.343 20 0 CAADHN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)C1CNC1 ZINC000722104741 782217983 /nfs/dbraw/zinc/21/79/83/782217983.db2.gz OYGIMTSBQSDAQP-SFYZADRCSA-N 0 3 261.347 -1.126 20 0 CAADHN COC[C@@H](O)CN1CC([C@@H](C)NC(=O)CC(N)=O)C1 ZINC001276361553 782218052 /nfs/dbraw/zinc/21/80/52/782218052.db2.gz PUQCGJOSZBALQT-SCZZXKLOSA-N 0 3 273.333 -1.694 20 0 CAADHN COC[C@@H](O)CN1CC([C@H](C)NC(=O)CC(N)=O)C1 ZINC001276361554 782218227 /nfs/dbraw/zinc/21/82/27/782218227.db2.gz PUQCGJOSZBALQT-WPRPVWTQSA-N 0 3 273.333 -1.694 20 0 CAADHN COC(=O)N(C)CCNS(=O)(=O)C1CNC1 ZINC000722101513 782218339 /nfs/dbraw/zinc/21/83/39/782218339.db2.gz DRGJZACQBZEMPH-UHFFFAOYSA-N 0 3 251.308 -1.424 20 0 CAADHN O=C1C[C@H](NS(=O)(=O)C2CNC2)CN1CC1CC1 ZINC000722134869 782222426 /nfs/dbraw/zinc/22/24/26/782222426.db2.gz FIJIOZMKZZXJQB-VIFPVBQESA-N 0 3 273.358 -1.112 20 0 CAADHN O=C1C[C@@H](NS(=O)(=O)C2CNC2)CN1CC1CC1 ZINC000722134868 782222448 /nfs/dbraw/zinc/22/24/48/782222448.db2.gz FIJIOZMKZZXJQB-SECBINFHSA-N 0 3 273.358 -1.112 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114888994 782223544 /nfs/dbraw/zinc/22/35/44/782223544.db2.gz RRQJSNCLJTZNFQ-AXTSPUMRSA-N 0 3 291.373 -2.037 20 0 CAADHN CN1CC(C(=O)NC[C@H]2CCN2CCO)=NC1=O ZINC001038662746 782255124 /nfs/dbraw/zinc/25/51/24/782255124.db2.gz KOAYPHJAIGBHAO-MRVPVSSYSA-N 0 3 254.290 -1.078 20 0 CAADHN CCN(CCCNS(=O)(=O)C1CNC1)S(C)(=O)=O ZINC000722273011 782256933 /nfs/dbraw/zinc/25/69/33/782256933.db2.gz PJNBDJOTRMNVSO-UHFFFAOYSA-N 0 3 299.418 -1.451 20 0 CAADHN NC(=O)CN1CC[C@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001039158380 782268781 /nfs/dbraw/zinc/26/87/81/782268781.db2.gz POGHFZRCUKGRHW-JTQLQIEISA-N 0 3 282.344 -1.483 20 0 CAADHN CN1C[C@@H](CCNS(=O)(=O)C2CNC2)CC1=O ZINC000723532237 782269661 /nfs/dbraw/zinc/26/96/61/782269661.db2.gz HIWOZDSPLRKLCQ-QMMMGPOBSA-N 0 3 261.347 -1.254 20 0 CAADHN COCC(=O)NCC1(O)CN(C(=O)CN(C)C(C)C)C1 ZINC001041161586 782297869 /nfs/dbraw/zinc/29/78/69/782297869.db2.gz ZAXSOWDSGZNWNO-UHFFFAOYSA-N 0 3 287.360 -1.338 20 0 CAADHN COCC(=O)NCC1(O)CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001041167045 782299445 /nfs/dbraw/zinc/29/94/45/782299445.db2.gz ZSXMKFWAVCSDFY-LLVKDONJSA-N 0 3 299.371 -1.336 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041628669 782314926 /nfs/dbraw/zinc/31/49/26/782314926.db2.gz LSSXSSGJGMJPIQ-RNCFNFMXSA-N 0 3 282.344 -1.340 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041628665 782315147 /nfs/dbraw/zinc/31/51/47/782315147.db2.gz LSSXSSGJGMJPIQ-NOZJJQNGSA-N 0 3 282.344 -1.340 20 0 CAADHN NC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3nnc[n-]3)C2)C1 ZINC001041778314 782318909 /nfs/dbraw/zinc/31/89/09/782318909.db2.gz WDZVXLDCMOHBFY-ZDUSSCGKSA-N 0 3 292.343 -1.243 20 0 CAADHN NC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3nnc[n-]3)C2)C1 ZINC001041778314 782318917 /nfs/dbraw/zinc/31/89/17/782318917.db2.gz WDZVXLDCMOHBFY-ZDUSSCGKSA-N 0 3 292.343 -1.243 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H]3CCN(CCO)[C@H]3C2)n1 ZINC001042190115 782326350 /nfs/dbraw/zinc/32/63/50/782326350.db2.gz LIGZEAYMWTULKQ-ZJUUUORDSA-N 0 3 280.332 -1.261 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H]2CCN(CCCO)[C@@H]2C1 ZINC001042212057 782327137 /nfs/dbraw/zinc/32/71/37/782327137.db2.gz YTSAGILBRRJNDY-VHSXEESVSA-N 0 3 255.318 -1.223 20 0 CAADHN CN(C(=O)[C@H]1CCCN1C)C1CN(Cc2nnnn2C)C1 ZINC001042546107 782336601 /nfs/dbraw/zinc/33/66/01/782336601.db2.gz QSRFLBWTVYZGCM-LLVKDONJSA-N 0 3 293.375 -1.053 20 0 CAADHN CN(C(=O)[C@@H]1CN2CCC[C@@H]2CO1)C1CN(CC(N)=O)C1 ZINC001042755636 782346088 /nfs/dbraw/zinc/34/60/88/782346088.db2.gz BCOCQAFFCUUFGU-PWSUYJOCSA-N 0 3 296.371 -1.523 20 0 CAADHN COCC(=O)N1CC(O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001043450021 782365618 /nfs/dbraw/zinc/36/56/18/782365618.db2.gz TVZJKKJIAYQYQT-UHFFFAOYSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H]1CNC(=O)N1 ZINC001095948263 782370666 /nfs/dbraw/zinc/37/06/66/782370666.db2.gz SZMVHLYKMUPBEW-RCWTZXSCSA-N 0 3 282.344 -1.228 20 0 CAADHN CC[C@H](C(=O)NCC1(O)CN(C(=O)C(N)=O)C1)N(C)C ZINC001043677396 782373176 /nfs/dbraw/zinc/37/31/76/782373176.db2.gz ILOJEIPOLOPPSJ-MRVPVSSYSA-N 0 3 286.332 -2.499 20 0 CAADHN CN(C(=O)Cc1c[nH]cn1)C1CN([C@@H]2CCNC2=O)C1 ZINC001043978025 782384097 /nfs/dbraw/zinc/38/40/97/782384097.db2.gz NWWPDDUTNGNWJP-LLVKDONJSA-N 0 3 277.328 -1.017 20 0 CAADHN C[C@@H](C(N)=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001043975772 782385243 /nfs/dbraw/zinc/38/52/43/782385243.db2.gz FJAQRPYXQHTKQU-QMMMGPOBSA-N 0 3 265.317 -1.031 20 0 CAADHN CCCN(C)CC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001044298518 782396281 /nfs/dbraw/zinc/39/62/81/782396281.db2.gz MJVHSQSCUHCHJR-UHFFFAOYSA-N 0 3 286.332 -2.497 20 0 CAADHN C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cn[n-]n1 ZINC001044655521 782403757 /nfs/dbraw/zinc/40/37/57/782403757.db2.gz CTCWYKOUKVTKSZ-SFYZADRCSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cn[n-]n1 ZINC001044655519 782404136 /nfs/dbraw/zinc/40/41/36/782404136.db2.gz CTCWYKOUKVTKSZ-HTQZYQBOSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cn[n-]n1 ZINC001044655520 782404189 /nfs/dbraw/zinc/40/41/89/782404189.db2.gz CTCWYKOUKVTKSZ-JGVFFNPUSA-N 0 3 266.305 -1.127 20 0 CAADHN Cn1nncc1CNC[C@@H]1CCCN1C(=O)CC(N)=O ZINC001044967874 782409226 /nfs/dbraw/zinc/40/92/26/782409226.db2.gz UQOURPSWTXFEEK-VIFPVBQESA-N 0 3 280.332 -1.229 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001045020219 782409538 /nfs/dbraw/zinc/40/95/38/782409538.db2.gz JCAPSANBYLNPSA-VHSXEESVSA-N 0 3 292.343 -1.102 20 0 CAADHN Cn1[n-]c(C[NH2+]C[C@@H]2CCCN2C(=O)CC(N)=O)nc1=O ZINC001044967868 782410486 /nfs/dbraw/zinc/41/04/86/782410486.db2.gz UQIMATLMINQOAI-QMMMGPOBSA-N 0 3 296.331 -1.936 20 0 CAADHN Cn1cc(CNC[C@@H]2CCCN2C(=O)C(N)=O)cn1 ZINC001045176312 782411129 /nfs/dbraw/zinc/41/11/29/782411129.db2.gz AGDWNYCYRFOFBW-JTQLQIEISA-N 0 3 265.317 -1.014 20 0 CAADHN O=C(Cn1nccn1)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001045052862 782411293 /nfs/dbraw/zinc/41/12/93/782411293.db2.gz WXWYUXXTPOQGGI-QWRGUYRKSA-N 0 3 292.343 -1.253 20 0 CAADHN O=C(Cn1ncnn1)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001045040858 782411555 /nfs/dbraw/zinc/41/15/55/782411555.db2.gz XXCDBXLASCWIMZ-UWVGGRQHSA-N 0 3 293.331 -1.858 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001045077013 782411644 /nfs/dbraw/zinc/41/16/44/782411644.db2.gz KEKCITORNJSJPT-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN O=C(Cn1nccn1)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001045052863 782411687 /nfs/dbraw/zinc/41/16/87/782411687.db2.gz WXWYUXXTPOQGGI-WDEREUQCSA-N 0 3 292.343 -1.253 20 0 CAADHN C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1nc[n-]n1 ZINC001044781218 782407727 /nfs/dbraw/zinc/40/77/27/782407727.db2.gz KWRJFQXKINQMFU-YUMQZZPRSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1nc[n-]n1 ZINC001044781215 782408204 /nfs/dbraw/zinc/40/82/04/782408204.db2.gz KWRJFQXKINQMFU-HTQZYQBOSA-N 0 3 266.305 -1.127 20 0 CAADHN NC(=O)C1(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)CC1 ZINC001045181076 782412783 /nfs/dbraw/zinc/41/27/83/782412783.db2.gz YRRODCZRNZIDNC-VHSXEESVSA-N 0 3 294.355 -1.279 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]1CN[C@@H]1CCCNC1=O ZINC001045178651 782412935 /nfs/dbraw/zinc/41/29/35/782412935.db2.gz NKJSWSUVDYFWOU-DTWKUNHWSA-N 0 3 268.317 -1.669 20 0 CAADHN CN1CC[C@H](NC[C@@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001045176959 782413006 /nfs/dbraw/zinc/41/30/06/782413006.db2.gz PRTHFNJKUGWBNX-IUCAKERBSA-N 0 3 268.317 -1.717 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)n1 ZINC001045025741 782411914 /nfs/dbraw/zinc/41/19/14/782411914.db2.gz ZOJOTVFQSKKKEP-UWVGGRQHSA-N 0 3 292.343 -1.102 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)n1 ZINC001045159486 782411959 /nfs/dbraw/zinc/41/19/59/782411959.db2.gz SQKYJNBJHRJSBB-IUCAKERBSA-N 0 3 293.331 -1.707 20 0 CAADHN O=C(Cn1cncn1)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001045301319 782415257 /nfs/dbraw/zinc/41/52/57/782415257.db2.gz ZNBLHJJNLBYNIT-QWRGUYRKSA-N 0 3 292.343 -1.253 20 0 CAADHN NC(=O)C1(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)CC1 ZINC001045181075 782413195 /nfs/dbraw/zinc/41/31/95/782413195.db2.gz YRRODCZRNZIDNC-UWVGGRQHSA-N 0 3 294.355 -1.279 20 0 CAADHN CN1CC[C@@H](NC[C@@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001045176954 782413381 /nfs/dbraw/zinc/41/33/81/782413381.db2.gz PRTHFNJKUGWBNX-DTWKUNHWSA-N 0 3 268.317 -1.717 20 0 CAADHN CN1CCC[C@H](NC[C@@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001045178544 782413462 /nfs/dbraw/zinc/41/34/62/782413462.db2.gz KWTKTMAJACNMSU-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001045178176 782413491 /nfs/dbraw/zinc/41/34/91/782413491.db2.gz CEQAYRSOHGMSNZ-JGVFFNPUSA-N 0 3 254.290 -2.059 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)n1 ZINC001045238609 782414815 /nfs/dbraw/zinc/41/48/15/782414815.db2.gz BJNMLSPEIQTBQV-VHSXEESVSA-N 0 3 292.343 -1.102 20 0 CAADHN CCCN(C)CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045496289 782418236 /nfs/dbraw/zinc/41/82/36/782418236.db2.gz CQBNGZCJBHGCGI-UHFFFAOYSA-N 0 3 286.332 -2.497 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045500430 782418781 /nfs/dbraw/zinc/41/87/81/782418781.db2.gz RHAKDWLCCUENIB-SECBINFHSA-N 0 3 298.343 -2.355 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045513489 782421079 /nfs/dbraw/zinc/42/10/79/782421079.db2.gz KYIZVHJRZIUSGQ-SECBINFHSA-N 0 3 298.343 -2.497 20 0 CAADHN CN(C)[C@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)C1CC1 ZINC001045509328 782421450 /nfs/dbraw/zinc/42/14/50/782421450.db2.gz IMBWETORUQYDIG-VIFPVBQESA-N 0 3 298.343 -2.499 20 0 CAADHN CC[C@@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)N(C)C ZINC001045513470 782421616 /nfs/dbraw/zinc/42/16/16/782421616.db2.gz KCXYRZNNZSRVMI-QMMMGPOBSA-N 0 3 286.332 -2.499 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@@H]1CCCNC1=O ZINC001045837988 782430739 /nfs/dbraw/zinc/43/07/39/782430739.db2.gz DXLHWTVWTHIUDH-OUAUKWLOSA-N 0 3 294.355 -1.184 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@@H]1CCNC1=O ZINC001045838345 782430825 /nfs/dbraw/zinc/43/08/25/782430825.db2.gz SSNQWCBWBAGFJD-KXUCPTDWSA-N 0 3 280.328 -1.575 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2CCCO ZINC001045839352 782431653 /nfs/dbraw/zinc/43/16/53/782431653.db2.gz HEHGMCDGXCVKQC-ZJUUUORDSA-N 0 3 255.318 -1.081 20 0 CAADHN C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(CCO)C1 ZINC001046199173 782433438 /nfs/dbraw/zinc/43/34/38/782433438.db2.gz CDYZFCJISHSQSW-SKDRFNHKSA-N 0 3 255.318 -1.162 20 0 CAADHN C[C@@]1(NC(=O)[C@@H]2COCCO2)CCN(CCO)C1 ZINC001046163398 782433749 /nfs/dbraw/zinc/43/37/49/782433749.db2.gz ZSRUHDQMBYJUDK-CMPLNLGQSA-N 0 3 258.318 -1.025 20 0 CAADHN O=C(c1nc[n-]n1)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046071820 782434339 /nfs/dbraw/zinc/43/43/39/782434339.db2.gz NRWVFVCGTBMUQU-NSHDSACASA-N 0 3 294.359 -1.371 20 0 CAADHN O=C(c1nc[n-]n1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046071820 782434345 /nfs/dbraw/zinc/43/43/45/782434345.db2.gz NRWVFVCGTBMUQU-NSHDSACASA-N 0 3 294.359 -1.371 20 0 CAADHN C[C@@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(CCO)C1 ZINC001046199171 782434599 /nfs/dbraw/zinc/43/45/99/782434599.db2.gz CDYZFCJISHSQSW-BXKDBHETSA-N 0 3 255.318 -1.162 20 0 CAADHN Cn1cnc(C(=O)N[C@@]2(C)CCN(CCO)C2)cc1=O ZINC001046389080 782439028 /nfs/dbraw/zinc/43/90/28/782439028.db2.gz AXOYZYPOZJXUMB-ZDUSSCGKSA-N 0 3 280.328 -1.033 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N[C@]1(C)CCN(CCO)C1 ZINC001046250615 782435554 /nfs/dbraw/zinc/43/55/54/782435554.db2.gz DPOMICCFNXWRAG-DGCLKSJQSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@]1(NC(=O)[C@H]2COC(=O)N2)CCN(CCO)C1 ZINC001046283850 782435685 /nfs/dbraw/zinc/43/56/85/782435685.db2.gz MXBLMHYNRXDYFH-KCJUWKMLSA-N 0 3 257.290 -1.332 20 0 CAADHN C[C@@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(CCO)C1 ZINC001046283849 782436398 /nfs/dbraw/zinc/43/63/98/782436398.db2.gz MXBLMHYNRXDYFH-GZMMTYOYSA-N 0 3 257.290 -1.332 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001046250618 782436930 /nfs/dbraw/zinc/43/69/30/782436930.db2.gz DPOMICCFNXWRAG-YPMHNXCESA-N 0 3 271.361 -1.110 20 0 CAADHN Cn1nnc(C(=O)N[C@@]2(C)CCN(CCCO)C2)n1 ZINC001046546179 782440933 /nfs/dbraw/zinc/44/09/33/782440933.db2.gz CXNPVEROMSJUAV-NSHDSACASA-N 0 3 268.321 -1.213 20 0 CAADHN C[C@]1(NC(=O)[C@@H]2CCNC2=O)CCN(CCO)C1 ZINC001046538169 782441219 /nfs/dbraw/zinc/44/12/19/782441219.db2.gz HEIWSNJNGPKLSV-SKDRFNHKSA-N 0 3 255.318 -1.305 20 0 CAADHN C[C@H](O)CN1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046546995 782441546 /nfs/dbraw/zinc/44/15/46/782441546.db2.gz IMBJNQPREZBZKX-GZMMTYOYSA-N 0 3 268.321 -1.215 20 0 CAADHN COCCN1CC[C@@](C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001046661085 782443664 /nfs/dbraw/zinc/44/36/64/782443664.db2.gz DYEPTKRJZFUIBF-TVQRCGJNSA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@@]1(NC(=O)c2c[nH]c(=O)cn2)CCN(CCO)C1 ZINC001046581438 782444270 /nfs/dbraw/zinc/44/42/70/782444270.db2.gz LTNHKXAOMQGHQW-GFCCVEGCSA-N 0 3 266.301 -1.044 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N[C@@]2(C)CCN(CCO)C2)C1 ZINC001046815198 782447480 /nfs/dbraw/zinc/44/74/80/782447480.db2.gz PZFMGCRNYZVSAP-JSGCOSHPSA-N 0 3 299.371 -1.193 20 0 CAADHN Cn1cc(C(=O)N[C@]2(C)CCN(CCO)C2)n(C)c1=O ZINC001046858295 782447901 /nfs/dbraw/zinc/44/79/01/782447901.db2.gz CWORWISFGZLNII-CYBMUJFWSA-N 0 3 282.344 -1.090 20 0 CAADHN C[C@@]1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN(CCO)C1 ZINC001046843674 782448009 /nfs/dbraw/zinc/44/80/09/782448009.db2.gz AVZFJDKBNZBFCL-GXSJLCMTSA-N 0 3 291.373 -1.749 20 0 CAADHN C[C@@]1(NC(=O)[C@H]2CCS(=O)(=O)N2)CCN(CCO)C1 ZINC001046843676 782448030 /nfs/dbraw/zinc/44/80/30/782448030.db2.gz AVZFJDKBNZBFCL-MWLCHTKSSA-N 0 3 291.373 -1.749 20 0 CAADHN Cn1cc(C(=O)N[C@]2(C)CCN(CCO)C2)c(=O)[nH]c1=O ZINC001046834401 782448366 /nfs/dbraw/zinc/44/83/66/782448366.db2.gz QOBGCZUUSXZCIA-CYBMUJFWSA-N 0 3 296.327 -1.328 20 0 CAADHN C[C@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(CCO)C1 ZINC001046783421 782448610 /nfs/dbraw/zinc/44/86/10/782448610.db2.gz CDYZFCJISHSQSW-CABZTGNLSA-N 0 3 255.318 -1.162 20 0 CAADHN C[C@@]1(NC(=O)[C@@H]2CCC(=O)N2)CCN(CCO)C1 ZINC001046783423 782449129 /nfs/dbraw/zinc/44/91/29/782449129.db2.gz CDYZFCJISHSQSW-JOYOIKCWSA-N 0 3 255.318 -1.162 20 0 CAADHN Cn1cc(C(=O)N[C@@]2(C)CCN(CCO)C2)c(=O)[nH]c1=O ZINC001046834402 782449166 /nfs/dbraw/zinc/44/91/66/782449166.db2.gz QOBGCZUUSXZCIA-ZDUSSCGKSA-N 0 3 296.327 -1.328 20 0 CAADHN NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC1CC1)C2 ZINC001047134643 782452728 /nfs/dbraw/zinc/45/27/28/782452728.db2.gz FDQJTLUSULXMDA-GDPRMGEGSA-N 0 3 294.355 -1.281 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047294957 782455824 /nfs/dbraw/zinc/45/58/24/782455824.db2.gz ACCCDTWLVXJMFE-IUCAKERBSA-N 0 3 254.294 -1.804 20 0 CAADHN Cc1ncc(C(=O)N(C)[C@H]2CN(CCO)C[C@@H]2O)[nH]1 ZINC001047328317 782460883 /nfs/dbraw/zinc/46/08/83/782460883.db2.gz KLRUDRVTXVKIRD-QWRGUYRKSA-N 0 3 268.317 -1.172 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001047334191 782464323 /nfs/dbraw/zinc/46/43/23/782464323.db2.gz ZUNFRUAYDADZBJ-SDDRHHMPSA-N 0 3 271.361 -1.160 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001047358167 782466335 /nfs/dbraw/zinc/46/63/35/782466335.db2.gz SPFWHADFEMTGFS-IUCAKERBSA-N 0 3 269.305 -1.493 20 0 CAADHN C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccnn2C)C1 ZINC001047367695 782467206 /nfs/dbraw/zinc/46/72/06/782467206.db2.gz KIZBLELDYGNBOW-DRZSPHRISA-N 0 3 296.371 -1.153 20 0 CAADHN CN(C(=O)[C@@H]1CCCCN1C)[C@H]1CN(CCO)C[C@@H]1O ZINC001047429565 782474700 /nfs/dbraw/zinc/47/47/00/782474700.db2.gz YAKUXEBPVGJVGY-AVGNSLFASA-N 0 3 285.388 -1.034 20 0 CAADHN CN(C(=O)[C@H]1CCCCN1C)[C@H]1CN(CCO)C[C@@H]1O ZINC001047429564 782474890 /nfs/dbraw/zinc/47/48/90/782474890.db2.gz YAKUXEBPVGJVGY-AGIUHOORSA-N 0 3 285.388 -1.034 20 0 CAADHN C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001047423799 782476009 /nfs/dbraw/zinc/47/60/09/782476009.db2.gz COXPDZZCZPGIBR-LSJOCFKGSA-N 0 3 296.327 -1.320 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001047433869 782476060 /nfs/dbraw/zinc/47/60/60/782476060.db2.gz MPRHAMHRIIXIGP-QWRGUYRKSA-N 0 3 297.359 -1.505 20 0 CAADHN CN(C(=O)Cc1ccnn1C)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047368387 782468271 /nfs/dbraw/zinc/46/82/71/782468271.db2.gz ZCZIGOPFMLSYAV-STQMWFEESA-N 0 3 296.371 -1.152 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001047386406 782472513 /nfs/dbraw/zinc/47/25/13/782472513.db2.gz RUPXUXKQQXXAIN-IUCAKERBSA-N 0 3 296.331 -2.100 20 0 CAADHN CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047482985 782479867 /nfs/dbraw/zinc/47/98/67/782479867.db2.gz RUAFRHOXNAGNOU-VWYCJHECSA-N 0 3 287.335 -1.014 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCNC2=O)C1 ZINC001047486254 782480118 /nfs/dbraw/zinc/48/01/18/782480118.db2.gz HDRCNAOIOYWROR-GUBZILKMSA-N 0 3 255.318 -1.354 20 0 CAADHN C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001047483689 782480316 /nfs/dbraw/zinc/48/03/16/782480316.db2.gz HHOZNLKIWKDSBW-RNJOBUHISA-N 0 3 285.388 -1.035 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001047483197 782481276 /nfs/dbraw/zinc/48/12/76/782481276.db2.gz AUWBHFNSBCJJOP-DCAQKATOSA-N 0 3 284.360 -1.077 20 0 CAADHN Cc1cncn1CC(=O)N(C)[C@H]1CN(CCO)C[C@@H]1O ZINC001047458616 782478353 /nfs/dbraw/zinc/47/83/53/782478353.db2.gz WSOANAGPUGMCJN-RYUDHWBXSA-N 0 3 282.344 -1.313 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001096187044 782478582 /nfs/dbraw/zinc/47/85/82/782478582.db2.gz ATSSLULMVLWTEZ-UTLUCORTSA-N 0 3 296.327 -1.748 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001047445857 782478749 /nfs/dbraw/zinc/47/87/49/782478749.db2.gz ODHVZCSEMIYBFF-UWVGGRQHSA-N 0 3 296.327 -1.528 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001047493961 782482906 /nfs/dbraw/zinc/48/29/06/782482906.db2.gz CWPCPWFAZYXCLB-VWYCJHECSA-N 0 3 269.345 -1.012 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001047487254 782483872 /nfs/dbraw/zinc/48/38/72/782483872.db2.gz XWDHFDOJNGRJHC-VWYCJHECSA-N 0 3 284.360 -1.078 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001047510355 782487290 /nfs/dbraw/zinc/48/72/90/782487290.db2.gz MNAHMNOSRXFQDY-SRVKXCTJSA-N 0 3 299.371 -1.066 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O ZINC001047510399 782487375 /nfs/dbraw/zinc/48/73/75/782487375.db2.gz MYKQEMZGHAKYLD-DCAQKATOSA-N 0 3 285.344 -1.598 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001047507210 782485090 /nfs/dbraw/zinc/48/50/90/782485090.db2.gz LVJYBPCRCKXZOH-GUBZILKMSA-N 0 3 270.333 -1.419 20 0 CAADHN CCCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001047508272 782486797 /nfs/dbraw/zinc/48/67/97/782486797.db2.gz XULFRLRDKUDROT-DCAQKATOSA-N 0 3 284.360 -1.029 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(CCC2CCOCC2)C[C@@H]1O ZINC001047510070 782486886 /nfs/dbraw/zinc/48/68/86/782486886.db2.gz ARQBOEDQIMJHJX-RYUDHWBXSA-N 0 3 299.371 -1.208 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001047493960 782482145 /nfs/dbraw/zinc/48/21/45/782482145.db2.gz CWPCPWFAZYXCLB-DCAQKATOSA-N 0 3 269.345 -1.012 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001047568329 782495240 /nfs/dbraw/zinc/49/52/40/782495240.db2.gz SEONGPJQTRPCSN-UWVGGRQHSA-N 0 3 298.343 -1.550 20 0 CAADHN CN(C(=O)Cc1ncc[nH]1)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047579085 782493445 /nfs/dbraw/zinc/49/34/45/782493445.db2.gz NSLXOFLHBAOFSI-QWRGUYRKSA-N 0 3 282.344 -1.162 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001047567975 782493850 /nfs/dbraw/zinc/49/38/50/782493850.db2.gz GJWSHBUTFXRRAK-UWVGGRQHSA-N 0 3 298.343 -1.548 20 0 CAADHN COCCN1C[C@H](O)[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001047589968 782497943 /nfs/dbraw/zinc/49/79/43/782497943.db2.gz VFZTVEWEWLRFCY-UWVGGRQHSA-N 0 3 283.332 -1.503 20 0 CAADHN C[C@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001047951717 782504515 /nfs/dbraw/zinc/50/45/15/782504515.db2.gz VAOFDORCBCADHX-IUCAKERBSA-N 0 3 280.332 -1.373 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001047649890 782501979 /nfs/dbraw/zinc/50/19/79/782501979.db2.gz LOEQIVJIECUPFQ-DCAQKATOSA-N 0 3 297.355 -1.049 20 0 CAADHN C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001047645938 782502155 /nfs/dbraw/zinc/50/21/55/782502155.db2.gz CKJQUXLRRJNBML-SRVKXCTJSA-N 0 3 282.344 -1.233 20 0 CAADHN CCn1cc(CNC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)nn1 ZINC001048365850 782508850 /nfs/dbraw/zinc/50/88/50/782508850.db2.gz MFMRWBCYISDCAV-VHSXEESVSA-N 0 3 294.359 -1.033 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1CNCc1cn(C)nn1 ZINC001048367310 782508913 /nfs/dbraw/zinc/50/89/13/782508913.db2.gz TUXWCLZYSYODPE-BDAKNGLRSA-N 0 3 280.332 -1.516 20 0 CAADHN Cc1nnc(CNC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C)[nH]1 ZINC001048367529 782509230 /nfs/dbraw/zinc/50/92/30/782509230.db2.gz VYDZNBLYSWWGEL-IONNQARKSA-N 0 3 280.332 -1.217 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CNCc1cn(C)nn1 ZINC001048367313 782509268 /nfs/dbraw/zinc/50/92/68/782509268.db2.gz TUXWCLZYSYODPE-RKDXNWHRSA-N 0 3 280.332 -1.516 20 0 CAADHN CCn1cc(CNC[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)nn1 ZINC001048365851 782509988 /nfs/dbraw/zinc/50/99/88/782509988.db2.gz MFMRWBCYISDCAV-ZJUUUORDSA-N 0 3 294.359 -1.033 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001048734855 782515380 /nfs/dbraw/zinc/51/53/80/782515380.db2.gz YLMXHWZEHVNCBC-GARJFASQSA-N 0 3 296.371 -1.271 20 0 CAADHN NC(=O)CN1C[C@@H]2CN(C(=O)CCc3nnc[nH]3)C[C@@H]2C1 ZINC001048751480 782515835 /nfs/dbraw/zinc/51/58/35/782515835.db2.gz NENFWFJFHYBZIQ-AOOOYVTPSA-N 0 3 292.343 -1.387 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001048734237 782516329 /nfs/dbraw/zinc/51/63/29/782516329.db2.gz MKTQQVQPJVZOEW-BBBLOLIVSA-N 0 3 282.344 -1.614 20 0 CAADHN C[C@@H](CS(C)(=O)=O)NC[C@]1(CO)COCCN1C ZINC000903279047 782529660 /nfs/dbraw/zinc/52/96/60/782529660.db2.gz ICINJYHOMKFCQX-QWRGUYRKSA-N 0 3 280.390 -1.298 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@@H]3[C@H]2CCN3CCO)n1 ZINC001049651739 782536659 /nfs/dbraw/zinc/53/66/59/782536659.db2.gz MEPUORGIFKMRMD-NXEZZACHSA-N 0 3 280.332 -1.119 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]2[C@H]1CCN2CCCO ZINC001049683062 782538228 /nfs/dbraw/zinc/53/82/28/782538228.db2.gz LDMCHFWJKJBFRL-VHSXEESVSA-N 0 3 255.318 -1.081 20 0 CAADHN O=C1CCC(=O)N1Cc1cn(C[C@@H]2CNCCO2)nn1 ZINC001254059089 782542702 /nfs/dbraw/zinc/54/27/02/782542702.db2.gz IVRSXSHOBNTKTA-JTQLQIEISA-N 0 3 279.300 -1.085 20 0 CAADHN C[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096779998 782543484 /nfs/dbraw/zinc/54/34/84/782543484.db2.gz GTRQZRWVODZDBS-ZDCRXTMVSA-N 0 3 280.332 -1.225 20 0 CAADHN C[C@@H]1[C@H](NCCC(=O)NC(N)=O)CCS1(=O)=O ZINC001261836479 782545884 /nfs/dbraw/zinc/54/58/84/782545884.db2.gz DBMOIUFEVFSCKV-RNFRBKRXSA-N 0 3 263.319 -1.263 20 0 CAADHN C[C@H]1NCCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001263107251 782546627 /nfs/dbraw/zinc/54/66/27/782546627.db2.gz SCGXCZAHJIJQAU-ZJUUUORDSA-N 0 3 254.334 -1.373 20 0 CAADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCO)[C@H]1CCNC1=O ZINC001097645333 782546935 /nfs/dbraw/zinc/54/69/35/782546935.db2.gz BZFJSUNUZRNGFD-YTWAJWBKSA-N 0 3 267.329 -1.164 20 0 CAADHN C[C@@H]1NCCN(C(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001263107249 782546958 /nfs/dbraw/zinc/54/69/58/782546958.db2.gz SCGXCZAHJIJQAU-UWVGGRQHSA-N 0 3 254.334 -1.373 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001097245487 782547373 /nfs/dbraw/zinc/54/73/73/782547373.db2.gz WTGOERDYHLPMCK-IMSYWVGJSA-N 0 3 296.327 -1.702 20 0 CAADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H]1CNC(=O)N1 ZINC001097758490 782548939 /nfs/dbraw/zinc/54/89/39/782548939.db2.gz SZMVHLYKMUPBEW-DBIOUOCHSA-N 0 3 282.344 -1.228 20 0 CAADHN CN1CC[C@@H](N2CCC[C@H](NC(=O)C(N)=O)CC2)C1=O ZINC001052679602 782553462 /nfs/dbraw/zinc/55/34/62/782553462.db2.gz SKUZWYQYBKCRRW-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CC[C@H](N2CCC[C@@H](NC(=O)C(N)=O)CC2)C1=O ZINC001052679603 782553549 /nfs/dbraw/zinc/55/35/49/782553549.db2.gz SKUZWYQYBKCRRW-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCCN([C@@H]2CCCNC2=O)CC1 ZINC001052673094 782554001 /nfs/dbraw/zinc/55/40/01/782554001.db2.gz XKWJERASHGEWMV-VHSXEESVSA-N 0 3 282.344 -1.279 20 0 CAADHN CC[C@H](C(N)=O)N1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052678795 782554583 /nfs/dbraw/zinc/55/45/83/782554583.db2.gz BBRKZWCUORYMFG-DTWKUNHWSA-N 0 3 270.333 -1.294 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052674821 782554628 /nfs/dbraw/zinc/55/46/28/782554628.db2.gz UFNAFIVKZBJRBX-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052674823 782555621 /nfs/dbraw/zinc/55/56/21/782555621.db2.gz UFNAFIVKZBJRBX-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN NC(=O)CN1CC2(C1)CN(C(=O)Cc1c[nH]cn1)CCO2 ZINC001053447195 782570496 /nfs/dbraw/zinc/57/04/96/782570496.db2.gz PFBORMABQJGAIA-UHFFFAOYSA-N 0 3 293.327 -1.649 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125675784 775222466 /nfs/dbraw/zinc/22/24/66/775222466.db2.gz GRFFBHJUXCNBFC-QMMMGPOBSA-N 0 3 257.290 -1.609 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C(F)F)C(=O)N(C)C ZINC001272350721 775896952 /nfs/dbraw/zinc/89/69/52/775896952.db2.gz DDOWNEJLGCDUBQ-BQBZGAKWSA-N 0 3 267.276 -1.205 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](C)NC(C)=O ZINC001123072133 775960011 /nfs/dbraw/zinc/96/00/11/775960011.db2.gz LAWAXDKVPRJOEI-MRVPVSSYSA-N 0 3 258.322 -1.647 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001124861217 776015161 /nfs/dbraw/zinc/01/51/61/776015161.db2.gz GPBJSGZYBOUNHH-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN NCCS(=O)(=O)N1CCOC[C@](O)(C(F)(F)F)C1 ZINC001238977203 776051899 /nfs/dbraw/zinc/05/18/99/776051899.db2.gz VSUVZYGJOOOWCE-ZETCQYMHSA-N 0 3 292.279 -1.100 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@H]1CCNC1=O ZINC001133516674 776780670 /nfs/dbraw/zinc/78/06/70/776780670.db2.gz CMJSBAMPMDUZPN-IUCAKERBSA-N 0 3 259.306 -1.758 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H](COC)OC ZINC001133517562 776780705 /nfs/dbraw/zinc/78/07/05/776780705.db2.gz OUWRHZQONUYYDZ-JTQLQIEISA-N 0 3 275.349 -1.120 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](COC)OC ZINC001133517922 776780735 /nfs/dbraw/zinc/78/07/35/776780735.db2.gz XLCAIMKYHZPMBF-VIFPVBQESA-N 0 3 261.322 -1.510 20 0 CAADHN COC[C@H](OC)C(=O)NCCNCC(=O)NC1CC1 ZINC001133516858 776780775 /nfs/dbraw/zinc/78/07/75/776780775.db2.gz FIYGXBJVKUMCRF-JTQLQIEISA-N 0 3 273.333 -1.368 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001133517299 776780814 /nfs/dbraw/zinc/78/08/14/776780814.db2.gz MGWZFYJFSNURKP-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)N2CCC2)CCC(=O)NC1 ZINC001132715077 776749034 /nfs/dbraw/zinc/74/90/34/776749034.db2.gz GJGIILYDHXPBJD-AWEZNQCLSA-N 0 3 296.371 -1.159 20 0 CAADHN O=C(Cc1cnoc1)NCCNCC(=O)N1CCOCC1 ZINC001132739176 776749179 /nfs/dbraw/zinc/74/91/79/776749179.db2.gz MPXCUUNISZVNCI-UHFFFAOYSA-N 0 3 296.327 -1.218 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001132715578 776749199 /nfs/dbraw/zinc/74/91/99/776749199.db2.gz TXNUGTPQCMUOGZ-ZDUSSCGKSA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(N)=O)CCC(=O)NC1 ZINC001132715729 776749313 /nfs/dbraw/zinc/74/93/13/776749313.db2.gz XRJSTHLWLUGEIP-LLVKDONJSA-N 0 3 256.306 -1.906 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@]1(C)CCC(=O)NC1)C(N)=O ZINC001132719711 776749340 /nfs/dbraw/zinc/74/93/40/776749340.db2.gz XILIHCNLJHTBQA-PELKAZGASA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@]1(C(=O)NCCN[C@@H]2CCNC2=O)CCC(=O)NC1 ZINC001132715440 776749420 /nfs/dbraw/zinc/74/94/20/776749420.db2.gz PPQMSKPONHZMKU-RNCFNFMXSA-N 0 3 282.344 -1.503 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001132717831 776749547 /nfs/dbraw/zinc/74/95/47/776749547.db2.gz GDLKRIDMBGGQOL-ZANVPECISA-N 0 3 284.360 -1.257 20 0 CAADHN O=C(Cc1cnoc1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001132742793 776749618 /nfs/dbraw/zinc/74/96/18/776749618.db2.gz HZPMZCJLNUAYHH-SECBINFHSA-N 0 3 280.284 -1.272 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCCNC2=O)CCC(=O)NC1 ZINC001132715660 776749647 /nfs/dbraw/zinc/74/96/47/776749647.db2.gz WEDROBOVXNBWPR-IINYFYTJSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)NC2CC2)CCC(=O)NC1 ZINC001132715022 776750158 /nfs/dbraw/zinc/75/01/58/776750158.db2.gz DQHAAYZHNWNBJG-AWEZNQCLSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@H](NCCNC(=O)[C@@]1(C)CCC(=O)NC1)C(N)=O ZINC001132719714 776750179 /nfs/dbraw/zinc/75/01/79/776750179.db2.gz XILIHCNLJHTBQA-UFBFGSQYSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@]1(C)CCC(=O)NC1)C(N)=O ZINC001132719696 776750199 /nfs/dbraw/zinc/75/01/99/776750199.db2.gz XFIWQMZTINCHCJ-ZANVPECISA-N 0 3 284.360 -1.128 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001133517163 776780873 /nfs/dbraw/zinc/78/08/73/776780873.db2.gz KVGUILYINVNVTR-RKDXNWHRSA-N 0 3 287.316 -1.841 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001133516401 776780930 /nfs/dbraw/zinc/78/09/30/776780930.db2.gz ADOWWBAWPFXSKK-ZJUUUORDSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001133121415 776763531 /nfs/dbraw/zinc/76/35/31/776763531.db2.gz IIOQCFBEMFXCHX-WPRPVWTQSA-N 0 3 297.359 -1.712 20 0 CAADHN NC(=O)C(=O)NCCNCc1ccc2nonc2c1 ZINC001133196062 776770056 /nfs/dbraw/zinc/77/00/56/776770056.db2.gz MBQKBWNEKAIFOA-UHFFFAOYSA-N 0 3 263.257 -1.086 20 0 CAADHN NC(=O)C(=O)NCCNCc1ccc(CO)cc1 ZINC001133196071 776770392 /nfs/dbraw/zinc/77/03/92/776770392.db2.gz MFUSIIDQCUWYFR-UHFFFAOYSA-N 0 3 251.286 -1.130 20 0 CAADHN Cc1nocc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001133237232 776773709 /nfs/dbraw/zinc/77/37/09/776773709.db2.gz ZQNMJNOPFRAIOS-ZETCQYMHSA-N 0 3 283.288 -1.114 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)C2CC[NH+](C)CC2)nc1=O ZINC001133285726 776773904 /nfs/dbraw/zinc/77/39/04/776773904.db2.gz GDQNEXDFAPLOPP-UHFFFAOYSA-N 0 3 296.375 -1.344 20 0 CAADHN CC[C@@H](C(=O)NC/C=C\CNC(=O)C(N)=O)N(C)C ZINC001285594222 777980245 /nfs/dbraw/zinc/98/02/45/777980245.db2.gz HTFSWMNJLZVDAJ-UDIARPCQSA-N 0 3 270.333 -1.400 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1n[nH]cc1F ZINC001283803415 777919626 /nfs/dbraw/zinc/91/96/26/777919626.db2.gz JLTASOIWZUYNMY-SSDOTTSWSA-N 0 3 260.269 -1.125 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](C)NC(=O)C(N)=O)N(C)C ZINC001284268747 777931926 /nfs/dbraw/zinc/93/19/26/777931926.db2.gz BYJDDRDEKMXBDF-HTQZYQBOSA-N 0 3 258.322 -1.567 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](C)NC(=O)C(N)=O ZINC001284244015 777932643 /nfs/dbraw/zinc/93/26/43/777932643.db2.gz UJNGUDMUQXSSOB-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN CC[C@H](C(=O)NC[C@H](C)NC(=O)C(N)=O)N(C)C ZINC001284268748 777932845 /nfs/dbraw/zinc/93/28/45/777932845.db2.gz BYJDDRDEKMXBDF-JGVFFNPUSA-N 0 3 258.322 -1.567 20 0 CAADHN CC[C@H](C(=O)NC/C=C\CNC(=O)C(N)=O)N(C)C ZINC001285594221 777980531 /nfs/dbraw/zinc/98/05/31/777980531.db2.gz HTFSWMNJLZVDAJ-SSJHQANKSA-N 0 3 270.333 -1.400 20 0 CAADHN CCS(=O)(=O)NCCCN1C[C@H](CO)[C@H](CO)C1 ZINC001119263825 779609977 /nfs/dbraw/zinc/60/99/77/779609977.db2.gz OTGKEVZRTBSBBD-PHIMTYICSA-N 0 3 280.390 -1.152 20 0 CAADHN Cn1nnc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC001119252643 779610396 /nfs/dbraw/zinc/61/03/96/779610396.db2.gz KSOLTYJBXWULAZ-BDAKNGLRSA-N 0 3 266.305 -1.197 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN(C)CCOCCO ZINC001153233106 779837528 /nfs/dbraw/zinc/83/75/28/779837528.db2.gz OFDULVQOSLKQOC-VIFPVBQESA-N 0 3 276.337 -1.900 20 0 CAADHN CN(CC1CN(S(C)(=O)=O)C1)[C@@H]1CCNC1=O ZINC001119772215 779625586 /nfs/dbraw/zinc/62/55/86/779625586.db2.gz WVUKOVVRUPHMRF-SECBINFHSA-N 0 3 261.347 -1.302 20 0 CAADHN CN1C(=O)NC2(CCN(C[C@@H](O)CO)CC2)C1=O ZINC001119772234 779625853 /nfs/dbraw/zinc/62/58/53/779625853.db2.gz XJHFPKZEBBMICF-MRVPVSSYSA-N 0 3 257.290 -1.644 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCOC[C@@H]1CCO)C1CC1 ZINC001119760856 779626239 /nfs/dbraw/zinc/62/62/39/779626239.db2.gz VKGMYTOXRRIJAH-LBPRGKRZSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@H]1OC(=O)N[C@H]1C(=O)NCCN(C)CCOCCO ZINC001153233667 779837783 /nfs/dbraw/zinc/83/77/83/779837783.db2.gz SAYVLRFGUDSPLC-NXEZZACHSA-N 0 3 289.332 -1.460 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CC=C[C@@H]3CO)C[C@@H]21 ZINC001120388299 779635935 /nfs/dbraw/zinc/63/59/35/779635935.db2.gz KXRFLGUPXXUKPC-UTUOFQBUSA-N 0 3 279.340 -1.092 20 0 CAADHN C[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC001120523686 779639711 /nfs/dbraw/zinc/63/97/11/779639711.db2.gz MAXIECRUZALYNP-NEPJUHHUSA-N 0 3 298.387 -1.451 20 0 CAADHN C[C@H]1COCC[C@@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC001120523688 779639872 /nfs/dbraw/zinc/63/98/72/779639872.db2.gz MAXIECRUZALYNP-RYUDHWBXSA-N 0 3 298.387 -1.451 20 0 CAADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1nnc(N)n1 ZINC001120691114 779642541 /nfs/dbraw/zinc/64/25/41/779642541.db2.gz OQLALNBCXCZSGY-DTWKUNHWSA-N 0 3 265.321 -1.050 20 0 CAADHN COCCN1CC[C@@H](NC(=O)N[C@@H]2CNOC2)C1 ZINC001120604434 779642769 /nfs/dbraw/zinc/64/27/69/779642769.db2.gz UHZWBCUBQKSAJD-NXEZZACHSA-N 0 3 258.322 -1.090 20 0 CAADHN CN1C[C@H]2CCN(C(=O)Cn3nnc(N)n3)[C@H]2C1 ZINC001120739490 779644757 /nfs/dbraw/zinc/64/47/57/779644757.db2.gz KYKADFSMASNRRY-SFYZADRCSA-N 0 3 251.294 -1.582 20 0 CAADHN NC(=O)CCCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001153456291 779838541 /nfs/dbraw/zinc/83/85/41/779838541.db2.gz WSHRIXNSCIIOJI-SECBINFHSA-N 0 3 270.333 -1.374 20 0 CAADHN NC(=O)CNCCNC(=O)CCCn1ccnc1 ZINC001153345146 779838785 /nfs/dbraw/zinc/83/87/85/779838785.db2.gz RNZMIBCSPSLQIJ-UHFFFAOYSA-N 0 3 253.306 -1.146 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCCO[C@H]1CCOC1 ZINC001122235960 779661880 /nfs/dbraw/zinc/66/18/80/779661880.db2.gz OCLAAEHZTHJTJB-QWRGUYRKSA-N 0 3 257.334 -1.188 20 0 CAADHN NC(=O)CCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001153455285 779838835 /nfs/dbraw/zinc/83/88/35/779838835.db2.gz GNNYSSOSYJNWQH-MRVPVSSYSA-N 0 3 256.306 -1.764 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001149095003 779662173 /nfs/dbraw/zinc/66/21/73/779662173.db2.gz UIEVFGYCCKGJIH-NXEZZACHSA-N 0 3 299.375 -1.192 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCCO[C@H]1CCOC1 ZINC001122235962 779662414 /nfs/dbraw/zinc/66/24/14/779662414.db2.gz OCLAAEHZTHJTJB-WDEREUQCSA-N 0 3 257.334 -1.188 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CCCC(N)=O)C1=O ZINC001153462399 779838854 /nfs/dbraw/zinc/83/88/54/779838854.db2.gz UYXKOOFXJAGKLG-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN COC[C@@H](C)NC(=O)NC(=O)CNCCNC(C)=O ZINC001122372875 779666235 /nfs/dbraw/zinc/66/62/35/779666235.db2.gz SXWVBLYSULGGPJ-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN CC(=O)NCCN[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC001122367613 779666437 /nfs/dbraw/zinc/66/64/37/779666437.db2.gz ZXOVLJWVJIJBEW-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CCC(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001122359355 779666502 /nfs/dbraw/zinc/66/65/02/779666502.db2.gz ASTQOHAHDLJPDM-JTQLQIEISA-N 0 3 284.360 -1.174 20 0 CAADHN CC(=O)NCCNCC(=O)NC1CCN(C(C)=O)CC1 ZINC001122380318 779666655 /nfs/dbraw/zinc/66/66/55/779666655.db2.gz VMIQSDMGIBJOJX-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)NCCNCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC001122367072 779666671 /nfs/dbraw/zinc/66/66/71/779666671.db2.gz GRTZDRISFUOUON-UHFFFAOYSA-N 0 3 296.371 -1.207 20 0 CAADHN COCCCS(=O)(=O)NCCNCCNC(C)=O ZINC001122359475 779666956 /nfs/dbraw/zinc/66/69/56/779666956.db2.gz IWLRICIOFDRPAC-UHFFFAOYSA-N 0 3 281.378 -1.332 20 0 CAADHN CCC(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001122359356 779667074 /nfs/dbraw/zinc/66/70/74/779667074.db2.gz ASTQOHAHDLJPDM-SNVBAGLBSA-N 0 3 284.360 -1.174 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccncc1 ZINC001122593656 779672345 /nfs/dbraw/zinc/67/23/45/779672345.db2.gz FRYFHRCNYZNHAP-UHFFFAOYSA-N 0 3 265.273 -1.404 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccncc1)C(=O)NC(N)=O ZINC001122604694 779672576 /nfs/dbraw/zinc/67/25/76/779672576.db2.gz JMZFVWFQUSXXJW-MRVPVSSYSA-N 0 3 279.300 -1.016 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccccn1 ZINC001122579298 779672636 /nfs/dbraw/zinc/67/26/36/779672636.db2.gz LQDNVXBHMURWKG-UHFFFAOYSA-N 0 3 265.273 -1.404 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCNCC(=O)N1CCCC1 ZINC001123071333 779678122 /nfs/dbraw/zinc/67/81/22/779678122.db2.gz CLBLIOLDVSQGHL-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCNCC(=O)NCC1CC1 ZINC001123070971 779678245 /nfs/dbraw/zinc/67/82/45/779678245.db2.gz AOXPMGZTKQAVIL-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCNCC(=O)NC1CC1 ZINC001123072459 779678284 /nfs/dbraw/zinc/67/82/84/779678284.db2.gz PXFZEKJVMSHTBV-QMMMGPOBSA-N 0 3 270.333 -1.505 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cc[n+]([O-])cc1 ZINC001123038944 779678312 /nfs/dbraw/zinc/67/83/12/779678312.db2.gz BWJYMVWBXKBMFG-UHFFFAOYSA-N 0 3 266.301 -1.225 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCNCC(=O)NC(C)C ZINC001123071040 779678336 /nfs/dbraw/zinc/67/83/36/779678336.db2.gz BKXXCHRRTGIBNT-VIFPVBQESA-N 0 3 272.349 -1.259 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001123047926 779678545 /nfs/dbraw/zinc/67/85/45/779678545.db2.gz VGUKHOGOGZCEDC-LLVKDONJSA-N 0 3 278.312 -1.130 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCNCC(=O)NC1CC1 ZINC001123072458 779678573 /nfs/dbraw/zinc/67/85/73/779678573.db2.gz PXFZEKJVMSHTBV-MRVPVSSYSA-N 0 3 270.333 -1.505 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cc[n+]([O-])cc1 ZINC001123038946 779678739 /nfs/dbraw/zinc/67/87/39/779678739.db2.gz BWVXHEXEYRRYCQ-UHFFFAOYSA-N 0 3 266.301 -1.272 20 0 CAADHN CC(C)[C@@H](C(=O)NCCNCC(N)=O)N1CCCC1=O ZINC001153421481 779839063 /nfs/dbraw/zinc/83/90/63/779839063.db2.gz YZNOUDHXIKXGSC-LBPRGKRZSA-N 0 3 284.360 -1.176 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccc(=O)[nH]n1 ZINC001123090421 779679185 /nfs/dbraw/zinc/67/91/85/779679185.db2.gz INAKRQNZAQFWLB-UHFFFAOYSA-N 0 3 282.260 -2.304 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccc(=O)[nH]n1 ZINC001123089225 779679262 /nfs/dbraw/zinc/67/92/62/779679262.db2.gz CCBSPQKDXLUEGI-UHFFFAOYSA-N 0 3 296.287 -2.043 20 0 CAADHN O=C(CNCCNC(=O)c1ccc(=O)[nH]n1)N1CCC1 ZINC001123090415 779679311 /nfs/dbraw/zinc/67/93/11/779679311.db2.gz IJKZRZNWMUJOSG-UHFFFAOYSA-N 0 3 279.300 -1.266 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001123084314 779679495 /nfs/dbraw/zinc/67/94/95/779679495.db2.gz ZZTZPELUWIOUJW-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@H]1CCCNC1=O ZINC001123072595 779679521 /nfs/dbraw/zinc/67/95/21/779679521.db2.gz TWJYGWRSMZUALW-WPRPVWTQSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)NC(C)=O ZINC001123083780 779679532 /nfs/dbraw/zinc/67/95/32/779679532.db2.gz UEBXPJZHIHJXCK-JGVFFNPUSA-N 0 3 258.322 -1.649 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H](C)NC(C)=O)C(N)=O ZINC001123083728 779679818 /nfs/dbraw/zinc/67/98/18/779679818.db2.gz SNEBSIZIZZGKHI-VXNVDRBHSA-N 0 3 258.322 -1.519 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H](C)NC(C)=O)C1=O ZINC001123083005 779679958 /nfs/dbraw/zinc/67/99/58/779679958.db2.gz NPWXGYJSJLHYPO-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)NC(C)=O ZINC001123083881 779679969 /nfs/dbraw/zinc/67/99/69/779679969.db2.gz UEBXPJZHIHJXCK-SFYZADRCSA-N 0 3 258.322 -1.649 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CCCC(N)=O)C1=O ZINC001153462400 779839198 /nfs/dbraw/zinc/83/91/98/779839198.db2.gz UYXKOOFXJAGKLG-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153387330 779839271 /nfs/dbraw/zinc/83/92/71/779839271.db2.gz PNHWZFJONYGJPB-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN CC[C@H](NCCNC(=O)CN(C)C(C)=O)C(N)=O ZINC001123815149 779693684 /nfs/dbraw/zinc/69/36/84/779693684.db2.gz NTXUTAFSRJKYFO-VIFPVBQESA-N 0 3 258.322 -1.566 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CN(C)C(C)=O ZINC001123810927 779694035 /nfs/dbraw/zinc/69/40/35/779694035.db2.gz RKWKPMVSOSLBNR-UHFFFAOYSA-N 0 3 287.320 -2.374 20 0 CAADHN O=C(COCC1CC1)NCCN[C@H]1CCC(=O)NC1=O ZINC001124021748 779700416 /nfs/dbraw/zinc/70/04/16/779700416.db2.gz XABPKPVYCXUJOA-JTQLQIEISA-N 0 3 283.328 -1.076 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)COCC1CC1 ZINC001124009070 779700704 /nfs/dbraw/zinc/70/07/04/779700704.db2.gz IBZUEAPAEXDWMK-UHFFFAOYSA-N 0 3 272.305 -1.686 20 0 CAADHN CCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001123975498 779700949 /nfs/dbraw/zinc/70/09/49/779700949.db2.gz YPJSTBQSJSWDQX-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001124176012 779705979 /nfs/dbraw/zinc/70/59/79/779705979.db2.gz APEXHHZOPFXSJW-MRVPVSSYSA-N 0 3 274.321 -1.475 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccon1 ZINC001124192243 779706023 /nfs/dbraw/zinc/70/60/23/779706023.db2.gz ZCAISLBQUVGFEH-UHFFFAOYSA-N 0 3 269.261 -1.550 20 0 CAADHN COC(=O)NCC(=O)NCCNCc1ccnn1C ZINC001124182019 779706541 /nfs/dbraw/zinc/70/65/41/779706541.db2.gz OSIBANWXSBWWOT-UHFFFAOYSA-N 0 3 269.305 -1.018 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1cnns1 ZINC001124176475 779706596 /nfs/dbraw/zinc/70/65/96/779706596.db2.gz HXZLQXLIEWSWSH-UHFFFAOYSA-N 0 3 293.374 -1.593 20 0 CAADHN O=C(CNCCNC(=O)c1ccon1)NC(=O)NC1CC1 ZINC001124192244 779706675 /nfs/dbraw/zinc/70/66/75/779706675.db2.gz ZCGRTSRBSWYVAU-UHFFFAOYSA-N 0 3 295.299 -1.018 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C)OC ZINC001124272092 779707365 /nfs/dbraw/zinc/70/73/65/779707365.db2.gz CIPGYTJIKFJFJJ-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cc(C)n[nH]1 ZINC001124247712 779707465 /nfs/dbraw/zinc/70/74/65/779707465.db2.gz UPMWMDHOQWZGKH-QMMMGPOBSA-N 0 3 296.331 -1.118 20 0 CAADHN Cc1cc(C(=O)NCCNCC(=O)NC(N)=O)[nH]n1 ZINC001124233406 779707562 /nfs/dbraw/zinc/70/75/62/779707562.db2.gz FYBPJXIPIZLTOG-UHFFFAOYSA-N 0 3 268.277 -1.768 20 0 CAADHN CO[C@H](C)C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001124271880 779707666 /nfs/dbraw/zinc/70/76/66/779707666.db2.gz BTJHUMOUZHPXJD-MRVPVSSYSA-N 0 3 286.332 -1.285 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cc(C)nn1C ZINC001124256569 779707865 /nfs/dbraw/zinc/70/78/65/779707865.db2.gz CYJHPSUTIYOBRD-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN Cc1cc(C(=O)NCCNCCNS(C)(=O)=O)[nH]n1 ZINC001124243271 779707891 /nfs/dbraw/zinc/70/78/91/779707891.db2.gz YIAXKFXIHLFHBU-UHFFFAOYSA-N 0 3 289.361 -1.413 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H](C)C(N)=O)n(C)n1 ZINC001124256823 779707915 /nfs/dbraw/zinc/70/79/15/779707915.db2.gz GLQVICPNYYATNH-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)[C@@H](C)OC ZINC001124273123 779707969 /nfs/dbraw/zinc/70/79/69/779707969.db2.gz LRTBSOHYWDFWBV-SNVBAGLBSA-N 0 3 275.349 -1.120 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H]2CCNC2=O)[nH]n1 ZINC001124233270 779708034 /nfs/dbraw/zinc/70/80/34/779708034.db2.gz DGUHEDNHBYYZCF-QMMMGPOBSA-N 0 3 251.290 -1.074 20 0 CAADHN CCCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)OC ZINC001124273344 779708125 /nfs/dbraw/zinc/70/81/25/779708125.db2.gz NCFMGYSGJRWECS-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CO[C@H](C)C(=O)NCCNCCN1CCCS1(=O)=O ZINC001124272738 779708182 /nfs/dbraw/zinc/70/81/82/779708182.db2.gz HFNICJIAGOTARS-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(C)n(C)n1 ZINC001124277385 779708237 /nfs/dbraw/zinc/70/82/37/779708237.db2.gz GYMUHTKTICLPNL-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCC(O)CC1 ZINC001161177739 779727611 /nfs/dbraw/zinc/72/76/11/779727611.db2.gz DCTKCMWUDVBSTL-SNVBAGLBSA-N 0 3 288.369 -1.254 20 0 CAADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCC(O)CC1 ZINC001161177737 779727783 /nfs/dbraw/zinc/72/77/83/779727783.db2.gz DCTKCMWUDVBSTL-JTQLQIEISA-N 0 3 288.369 -1.254 20 0 CAADHN CN1CCN(CC2CN(C(=O)C3(O)COC3)C2)CC1 ZINC001141387614 779741448 /nfs/dbraw/zinc/74/14/48/779741448.db2.gz RFKYGWOMBAYFNW-UHFFFAOYSA-N 0 3 269.345 -1.547 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@H]2CNC(=O)C2)CC1 ZINC001143305175 779773580 /nfs/dbraw/zinc/77/35/80/779773580.db2.gz ORUYIBXERYHRTR-SECBINFHSA-N 0 3 255.318 -1.305 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC1 ZINC001157451433 779903903 /nfs/dbraw/zinc/90/39/03/779903903.db2.gz VBAAGKMYBRYDGV-YUMQZZPRSA-N 0 3 256.306 -1.684 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149455172 779778124 /nfs/dbraw/zinc/77/81/24/779778124.db2.gz GOSYJSCRUDKPPT-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN Cc1nn(C)cc1CNCCNC(=O)CCNC(N)=O ZINC001150424634 779793932 /nfs/dbraw/zinc/79/39/32/779793932.db2.gz XABGJAIXVWBLBI-UHFFFAOYSA-N 0 3 282.348 -1.007 20 0 CAADHN CC[C@@H](NCCNC(=O)CCNC(N)=O)C(N)=O ZINC001150431744 779793959 /nfs/dbraw/zinc/79/39/59/779793959.db2.gz GDWFCCOHDOOFDH-SSDOTTSWSA-N 0 3 259.310 -1.986 20 0 CAADHN NC(=O)NCCC(=O)NCCNCC(=O)N1CCCC1 ZINC001150424353 779793984 /nfs/dbraw/zinc/79/39/84/779793984.db2.gz RBEIHZOLMPPRBM-UHFFFAOYSA-N 0 3 285.348 -1.627 20 0 CAADHN C[C@@H](NCCNC(=O)CCNC(N)=O)C(=O)N(C)C ZINC001150432586 779794205 /nfs/dbraw/zinc/79/42/05/779794205.db2.gz WKAKVUUPJJHJPM-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN C[C@H](NCCNC(=O)CCNC(N)=O)C(=O)NC(N)=O ZINC001150432278 779794246 /nfs/dbraw/zinc/79/42/46/779794246.db2.gz OYBLSQIUMAZVMQ-LURJTMIESA-N 0 3 288.308 -2.666 20 0 CAADHN NC(=O)NCCC(=O)NCCNCC(=O)NC(N)=O ZINC001150423909 779794472 /nfs/dbraw/zinc/79/44/72/779794472.db2.gz MAJSUFLOCZOFOG-UHFFFAOYSA-N 0 3 274.281 -3.055 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)CCNC(N)=O ZINC001150423437 779794557 /nfs/dbraw/zinc/79/45/57/779794557.db2.gz GFAJVAFMDDHOKT-VIFPVBQESA-N 0 3 287.364 -1.335 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCNC(N)=O ZINC001150424692 779794689 /nfs/dbraw/zinc/79/46/89/779794689.db2.gz ZJRBEBLEHUGJST-UHFFFAOYSA-N 0 3 259.310 -2.161 20 0 CAADHN CCCC[C@H](NCCNC(=O)CCNC(N)=O)C(N)=O ZINC001150432633 779795010 /nfs/dbraw/zinc/79/50/10/779795010.db2.gz YJVXGSVLCJGLNX-VIFPVBQESA-N 0 3 287.364 -1.205 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCC(=O)N(C)C1)C(N)=O ZINC001152510732 779827095 /nfs/dbraw/zinc/82/70/95/779827095.db2.gz WTQRXYCENSDXHS-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001152509414 779827161 /nfs/dbraw/zinc/82/71/61/779827161.db2.gz SBAPKKLOLNKNDM-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCC(=O)N(C)C1)C(N)=O ZINC001152510743 779827169 /nfs/dbraw/zinc/82/71/69/779827169.db2.gz WTQRXYCENSDXHS-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@H]2CCNC2=O)CCC1=O ZINC001152522305 779827177 /nfs/dbraw/zinc/82/71/77/779827177.db2.gz LETCNWGMDJLFBC-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H](C)CS(C)(=O)=O)C(N)=O ZINC001152617813 779827227 /nfs/dbraw/zinc/82/72/27/779827227.db2.gz FESLZNYSPNWZCM-BDAKNGLRSA-N 0 3 293.389 -1.363 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(N)=O)CCC1=O ZINC001152522011 779827282 /nfs/dbraw/zinc/82/72/82/779827282.db2.gz IKRBZIXPXXZVSF-MRVPVSSYSA-N 0 3 256.306 -1.954 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC(=O)N(C)C1)C(N)=O ZINC001152509132 779827636 /nfs/dbraw/zinc/82/76/36/779827636.db2.gz QQFDDNHGPCPSMU-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001152884253 779832321 /nfs/dbraw/zinc/83/23/21/779832321.db2.gz DYRPVDOBEXRSPZ-CYBMUJFWSA-N 0 3 286.376 -1.011 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccc(C(N)=O)n1)C(N)=O ZINC001152848546 779833230 /nfs/dbraw/zinc/83/32/30/779833230.db2.gz LBGFYZOIFKQBIZ-SSDOTTSWSA-N 0 3 279.300 -1.626 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@](C)(NC(C)=O)C(C)C ZINC001152884254 779833292 /nfs/dbraw/zinc/83/32/92/779833292.db2.gz DYRPVDOBEXRSPZ-ZDUSSCGKSA-N 0 3 286.376 -1.011 20 0 CAADHN CN(Cc1nc[nH]n1)C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001118574214 779577979 /nfs/dbraw/zinc/57/79/79/779577979.db2.gz DDJKNJVJAHDPSL-HTQZYQBOSA-N 0 3 284.295 -1.339 20 0 CAADHN CC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC001118767705 779586172 /nfs/dbraw/zinc/58/61/72/779586172.db2.gz XEWJCFLXWBQIKD-MNOVXSKESA-N 0 3 298.343 -2.172 20 0 CAADHN CC(=O)N1CC[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC001118767702 779586778 /nfs/dbraw/zinc/58/67/78/779586778.db2.gz XEWJCFLXWBQIKD-GHMZBOCLSA-N 0 3 298.343 -2.172 20 0 CAADHN Nc1nc(N)nc(N2CC(N3CC[C@@H](O)C3)C2)n1 ZINC001118807958 779588497 /nfs/dbraw/zinc/58/84/97/779588497.db2.gz NIZYIUGWLKGMAQ-SSDOTTSWSA-N 0 3 251.294 -1.709 20 0 CAADHN Nc1nc(N)nc(N2CC[C@@H]3OCC(=O)N[C@H]3C2)n1 ZINC001118807317 779588698 /nfs/dbraw/zinc/58/86/98/779588698.db2.gz GOSRRLYOSWUMQE-WDSKDSINSA-N 0 3 265.277 -1.870 20 0 CAADHN Nc1nc(N)nc(NC[C@H]2CCS(=O)(=O)C2)n1 ZINC001118806087 779589050 /nfs/dbraw/zinc/58/90/50/779589050.db2.gz NHSZCINMKZWHQX-RXMQYKEDSA-N 0 3 258.307 -1.117 20 0 CAADHN CCN(C[C@@H](O)COC)[C@H](C)CNC(=O)C(N)=O ZINC001154952354 779866630 /nfs/dbraw/zinc/86/66/30/779866630.db2.gz APFABXRZFLJJBB-RKDXNWHRSA-N 0 3 261.322 -1.694 20 0 CAADHN CC(=O)NC[C@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC001118863401 779591928 /nfs/dbraw/zinc/59/19/28/779591928.db2.gz PQLOZSNMYJWWAG-ZETCQYMHSA-N 0 3 267.293 -1.623 20 0 CAADHN COC[C@@H](C)OC[C@@H](O)CN1CC[C@@H](O)[C@@H](O)C1 ZINC001119261777 779609572 /nfs/dbraw/zinc/60/95/72/779609572.db2.gz UVPMGKNWXIGCNQ-KXNHARMFSA-N 0 3 263.334 -1.174 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC001119252644 779609836 /nfs/dbraw/zinc/60/98/36/779609836.db2.gz KSOLTYJBXWULAZ-DTWKUNHWSA-N 0 3 266.305 -1.197 20 0 CAADHN NCCS(=O)(=O)N1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001238971805 780526830 /nfs/dbraw/zinc/52/68/30/780526830.db2.gz ZFFKWAGMEQDYKJ-BQBZGAKWSA-N 0 3 292.279 -1.365 20 0 CAADHN NCCS(=O)(=O)N1CCN(CCCO)CC1 ZINC001238989217 780526985 /nfs/dbraw/zinc/52/69/85/780526985.db2.gz QMIJVNSSOLXIGM-UHFFFAOYSA-N 0 3 251.352 -1.725 20 0 CAADHN COC(=O)[C@H]1CNCCN1S(=O)(=O)CCN ZINC001239005647 780527121 /nfs/dbraw/zinc/52/71/21/780527121.db2.gz NIHSAKSICMFKJB-SSDOTTSWSA-N 0 3 251.308 -2.278 20 0 CAADHN C[C@@]1(CO)CN(S(=O)(=O)CCN)CC[C@@H]1O ZINC001238985344 780527194 /nfs/dbraw/zinc/52/71/94/780527194.db2.gz BLLLEJMQXVYNTA-IUCAKERBSA-N 0 3 252.336 -1.660 20 0 CAADHN C[C@@]1(CO)CCN(S(=O)(=O)CCN)C[C@@H]1O ZINC001238987539 780527214 /nfs/dbraw/zinc/52/72/14/780527214.db2.gz RXIIRLQZERKWBV-IUCAKERBSA-N 0 3 252.336 -1.660 20 0 CAADHN C[C@]1(CO)CCN(S(=O)(=O)CCN)C[C@H]1O ZINC001238987542 780527933 /nfs/dbraw/zinc/52/79/33/780527933.db2.gz RXIIRLQZERKWBV-RKDXNWHRSA-N 0 3 252.336 -1.660 20 0 CAADHN C[C@]1(CO)CN(S(=O)(=O)CCN)CC[C@H]1O ZINC001238985346 780527970 /nfs/dbraw/zinc/52/79/70/780527970.db2.gz BLLLEJMQXVYNTA-RKDXNWHRSA-N 0 3 252.336 -1.660 20 0 CAADHN CN(C1CN(S(=O)(=O)CCN)C1)[C@H]1CCOC1 ZINC001239097608 780530023 /nfs/dbraw/zinc/53/00/23/780530023.db2.gz JOPANOWXQDOUDS-VIFPVBQESA-N 0 3 263.363 -1.320 20 0 CAADHN COC[C@H]1c2nnn(C)c2CCN1S(=O)(=O)CCN ZINC001239077701 780530134 /nfs/dbraw/zinc/53/01/34/780530134.db2.gz SYVQOGCCCIDBRH-VIFPVBQESA-N 0 3 289.361 -1.351 20 0 CAADHN NCCS(=O)(=O)N1CCn2cnc(CO)c2C1 ZINC001239076439 780530265 /nfs/dbraw/zinc/53/02/65/780530265.db2.gz SSQHXGJZSLBGRV-UHFFFAOYSA-N 0 3 260.319 -1.521 20 0 CAADHN NCCS(=O)(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001239096632 780530275 /nfs/dbraw/zinc/53/02/75/780530275.db2.gz CIECIOXNMFRCFF-UHFFFAOYSA-N 0 3 262.335 -2.609 20 0 CAADHN CC(C)NC(=O)CN1CCN(S(=O)(=O)CCN)CC1 ZINC001239084326 780530384 /nfs/dbraw/zinc/53/03/84/780530384.db2.gz LHVFTPOWJDGUNF-UHFFFAOYSA-N 0 3 292.405 -1.583 20 0 CAADHN COCCCN1CCN(S(=O)(=O)CCN)CC1 ZINC001239093756 780530547 /nfs/dbraw/zinc/53/05/47/780530547.db2.gz FLQMGLVUJOXVMR-UHFFFAOYSA-N 0 3 265.379 -1.071 20 0 CAADHN NCCS(=O)(=O)N1CC(N2CCS(=O)(=O)CC2)C1 ZINC001239098882 780530570 /nfs/dbraw/zinc/53/05/70/780530570.db2.gz ZKOLXABJQMKPIR-UHFFFAOYSA-N 0 3 297.402 -2.311 20 0 CAADHN COC[C@@H]1CN(S(=O)(=O)CCN)Cc2nnn(C)c21 ZINC001239076072 780530679 /nfs/dbraw/zinc/53/06/79/780530679.db2.gz OZLKBUXPKYAUDB-QMMMGPOBSA-N 0 3 289.361 -1.351 20 0 CAADHN CS(=O)(=O)[C@H]1CCN(S(=O)(=O)CCN)C1 ZINC001239086097 780530813 /nfs/dbraw/zinc/53/08/13/780530813.db2.gz QFBMNYCJAHIGDW-ZETCQYMHSA-N 0 3 256.349 -1.606 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)CCN)CCCO1 ZINC001239127210 780532535 /nfs/dbraw/zinc/53/25/35/780532535.db2.gz QGSPDAZIOSSRKS-QMMMGPOBSA-N 0 3 266.319 -1.461 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@@H]1N ZINC001239133567 780532591 /nfs/dbraw/zinc/53/25/91/780532591.db2.gz CONWYSGAWUIPCD-BQBZGAKWSA-N 0 3 274.302 -1.470 20 0 CAADHN NCCS(=O)(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001239132572 780532618 /nfs/dbraw/zinc/53/26/18/780532618.db2.gz JPQCWUAYLAZGFO-SNVBAGLBSA-N 0 3 274.346 -1.262 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)C[C@H]1N ZINC001239135793 780532629 /nfs/dbraw/zinc/53/26/29/780532629.db2.gz PIOLVTZFMADVAB-RKDXNWHRSA-N 0 3 288.329 -1.459 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)c2cnn(C)c2)C[C@@H]1N ZINC001239135792 780532717 /nfs/dbraw/zinc/53/27/17/780532717.db2.gz PIOLVTZFMADVAB-IUCAKERBSA-N 0 3 288.329 -1.459 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2cn[nH]c2)C[C@H]1N ZINC001239136257 780532737 /nfs/dbraw/zinc/53/27/37/780532737.db2.gz RAXAKFLJVZNKRN-HTQZYQBOSA-N 0 3 274.302 -1.470 20 0 CAADHN CCOC(=O)CS(=O)(=O)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239137013 780532915 /nfs/dbraw/zinc/53/29/15/780532915.db2.gz VVUPKVMEOVWQBE-YUMQZZPRSA-N 0 3 294.329 -1.689 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)N(C)C)C[C@@H]1N ZINC001239134248 780532927 /nfs/dbraw/zinc/53/29/27/780532927.db2.gz KAAQHLYNEXKCRP-BQBZGAKWSA-N 0 3 251.308 -1.775 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)c2nccn2C)C[C@H]1N ZINC001239134739 780533007 /nfs/dbraw/zinc/53/30/07/780533007.db2.gz JOIXTJWHKRMWBF-JGVFFNPUSA-N 0 3 288.329 -1.459 20 0 CAADHN COC(=O)CS(=O)(=O)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239133473 780533085 /nfs/dbraw/zinc/53/30/85/780533085.db2.gz DEDLICWGARHNOP-RNFRBKRXSA-N 0 3 280.302 -2.079 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@@H]1N ZINC001239134302 780533132 /nfs/dbraw/zinc/53/31/32/780533132.db2.gz LKMRRGQDMNQTJE-YUMQZZPRSA-N 0 3 288.329 -1.459 20 0 CAADHN COCCS(=O)(=O)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239136954 780533224 /nfs/dbraw/zinc/53/32/24/780533224.db2.gz VJCAUSUAABDELO-SFYZADRCSA-N 0 3 266.319 -1.605 20 0 CAADHN COC(=O)CCS(=O)(=O)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239136491 780533315 /nfs/dbraw/zinc/53/33/15/780533315.db2.gz SUGYDMOXDYWOJK-SFYZADRCSA-N 0 3 294.329 -1.689 20 0 CAADHN CCOC(=O)[C@H]1COCCN1S(=O)(=O)CCN ZINC001239125626 780533401 /nfs/dbraw/zinc/53/34/01/780533401.db2.gz MBMRMQGUXZQPIN-MRVPVSSYSA-N 0 3 266.319 -1.461 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@@H]1N ZINC001239133576 780533413 /nfs/dbraw/zinc/53/34/13/780533413.db2.gz CONWYSGAWUIPCD-RQJHMYQMSA-N 0 3 274.302 -1.470 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)CCN)CCN1C(C)=O ZINC001239153223 780534459 /nfs/dbraw/zinc/53/44/59/780534459.db2.gz CJOSCHWGIBGILY-SECBINFHSA-N 0 3 293.345 -2.019 20 0 CAADHN NCCS(=O)(=O)N1CCC(N2CCOCC2=O)CC1 ZINC001239147270 780534552 /nfs/dbraw/zinc/53/45/52/780534552.db2.gz RKYFGTBJXQTIHO-UHFFFAOYSA-N 0 3 291.373 -1.402 20 0 CAADHN COCC(=O)N[C@@H]1CCCN(S(=O)(=O)CCN)C1 ZINC001239147028 780534564 /nfs/dbraw/zinc/53/45/64/780534564.db2.gz KYYPBCBLBRKSTR-SECBINFHSA-N 0 3 279.362 -1.498 20 0 CAADHN NCCS(=O)(=O)N1CCN(c2ncncn2)CC1 ZINC001239143547 780534633 /nfs/dbraw/zinc/53/46/33/780534633.db2.gz VQTVRURKLRWBTM-UHFFFAOYSA-N 0 3 272.334 -1.718 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN1S(=O)(=O)CCN ZINC001239143389 780534702 /nfs/dbraw/zinc/53/47/02/780534702.db2.gz RUZNRSUJBIVIMN-QMMMGPOBSA-N 0 3 265.335 -1.936 20 0 CAADHN C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)C(N)=O ZINC001278295088 780534932 /nfs/dbraw/zinc/53/49/32/780534932.db2.gz YMSMPFNPZHIFRX-JGVFFNPUSA-N 0 3 256.306 -1.861 20 0 CAADHN COC(=O)CC[C@@H]1COCCN1S(=O)(=O)CCN ZINC001239175762 780534941 /nfs/dbraw/zinc/53/49/41/780534941.db2.gz CHTRQBULDBIJKC-SECBINFHSA-N 0 3 280.346 -1.071 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)C(N)=O ZINC001278295087 780535118 /nfs/dbraw/zinc/53/51/18/780535118.db2.gz YMSMPFNPZHIFRX-HTQZYQBOSA-N 0 3 256.306 -1.861 20 0 CAADHN CCOC(=O)CNC(=S)NCCCC[C@H](N)C(N)=O ZINC001239388825 780536097 /nfs/dbraw/zinc/53/60/97/780536097.db2.gz NAONSXWBTHIDPL-QMMMGPOBSA-N 0 3 290.389 -1.004 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](N2CCNC[C@H]2C(=O)OC)CN1 ZINC001246623386 780557884 /nfs/dbraw/zinc/55/78/84/780557884.db2.gz QLPHTTVBTUCGGS-DCAQKATOSA-N 0 3 285.344 -1.273 20 0 CAADHN CCOC(=O)[C@@H]1CNCCN1[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246601256 780558483 /nfs/dbraw/zinc/55/84/83/780558483.db2.gz IREBAESGBHUQQB-VWYCJHECSA-N 0 3 285.344 -1.273 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CCOC[C@@]3(CNCCO3)C2)CN1 ZINC001246602092 780558645 /nfs/dbraw/zinc/55/86/45/780558645.db2.gz IYRLUCUHRVKWFS-SGMGOOAPSA-N 0 3 299.371 -1.419 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001260404824 780649351 /nfs/dbraw/zinc/64/93/51/780649351.db2.gz ZJMOAQIDGYOCGG-MYJAWHEDSA-N 0 3 255.318 -1.233 20 0 CAADHN CCOC(=O)CNC(=O)CNC(=O)CNC[C@H](O)CC ZINC001251811357 780577529 /nfs/dbraw/zinc/57/75/29/780577529.db2.gz HKQHMOOLRVCGPF-SECBINFHSA-N 0 3 289.332 -1.858 20 0 CAADHN CC[C@@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001251817524 780577637 /nfs/dbraw/zinc/57/76/37/780577637.db2.gz PLGUNOSWRQNMID-SSDOTTSWSA-N 0 3 260.294 -2.935 20 0 CAADHN CC(C)[C@@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001253787849 780595568 /nfs/dbraw/zinc/59/55/68/780595568.db2.gz LHKZXAQYKMVINV-QMMMGPOBSA-N 0 3 274.321 -2.689 20 0 CAADHN C[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1CC1 ZINC001278744657 780596154 /nfs/dbraw/zinc/59/61/54/780596154.db2.gz VUAZHSMYTSPPTL-WPRPVWTQSA-N 0 3 257.334 -1.073 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1CC1 ZINC001278744654 780596283 /nfs/dbraw/zinc/59/62/83/780596283.db2.gz VUAZHSMYTSPPTL-SCZZXKLOSA-N 0 3 257.334 -1.073 20 0 CAADHN CN(C[C@@H](O)C[NH2+]CCCO)C(=O)c1cnc[n-]c1=O ZINC001278774810 780601960 /nfs/dbraw/zinc/60/19/60/780601960.db2.gz ZUFFIWDHGLQEHI-VIFPVBQESA-N 0 3 284.316 -1.413 20 0 CAADHN CN(C[C@H](O)C[NH2+]CCCO)C(=O)c1cnc[n-]c1=O ZINC001278774809 780602360 /nfs/dbraw/zinc/60/23/60/780602360.db2.gz ZUFFIWDHGLQEHI-SECBINFHSA-N 0 3 284.316 -1.413 20 0 CAADHN CCOCCN1CC[C@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001278794701 780605246 /nfs/dbraw/zinc/60/52/46/780605246.db2.gz GKCOXRUSIXYLOQ-FZMZJTMJSA-N 0 3 299.371 -1.288 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C1(C(N)=O)CC1 ZINC001278797285 780605294 /nfs/dbraw/zinc/60/52/94/780605294.db2.gz JHHRDLBPLNUKPG-SSDOTTSWSA-N 0 3 272.305 -2.854 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001278844889 780612284 /nfs/dbraw/zinc/61/22/84/780612284.db2.gz OHPJDUKCZAPWMH-JTQLQIEISA-N 0 3 261.322 -2.134 20 0 CAADHN NC(=O)[C@H](CO)NC1CCN(C(=O)C(F)(F)F)CC1 ZINC001255974871 780618630 /nfs/dbraw/zinc/61/86/30/780618630.db2.gz HHYLYJUBZKPQEF-ZETCQYMHSA-N 0 3 283.250 -1.025 20 0 CAADHN CN(C1CCN(S(C)(=O)=O)CC1)S(=O)(=O)CCN ZINC001257225673 780628413 /nfs/dbraw/zinc/62/84/13/780628413.db2.gz URYCLMWOWDWPAY-UHFFFAOYSA-N 0 3 299.418 -1.369 20 0 CAADHN CS(=O)(=O)N1CCC(N[C@@H](CO)C(N)=O)CC1 ZINC001257227999 780628480 /nfs/dbraw/zinc/62/84/80/780628480.db2.gz CETNURDFVNZIAE-QMMMGPOBSA-N 0 3 265.335 -2.154 20 0 CAADHN COC(=O)CCS(=O)(=O)CC[C@H](C)NC(CO)CO ZINC001257914116 780630686 /nfs/dbraw/zinc/63/06/86/780630686.db2.gz HJKZETQVUWTMJK-VIFPVBQESA-N 0 3 297.373 -1.314 20 0 CAADHN OC[C@H]1O[C@@H](O)[C@H](N[C@@H]2CCCSC2)[C@@H](O)[C@@H]1O ZINC001257662690 780630773 /nfs/dbraw/zinc/63/07/73/780630773.db2.gz PWYSXMZZXITFTA-VRGHXPGPSA-N 0 3 279.358 -1.729 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001221164633 780406303 /nfs/dbraw/zinc/40/63/03/780406303.db2.gz OJPWTMHSWIYBIY-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001221264928 780409767 /nfs/dbraw/zinc/40/97/67/780409767.db2.gz CNSANRGAYUQAOJ-FGRRRZKNSA-N 0 3 290.393 -3.399 20 0 CAADHN CC(C)(O)[C@H](F)CNC(=O)[C@H](N)CCCNC(N)=O ZINC001221260949 780410281 /nfs/dbraw/zinc/41/02/81/780410281.db2.gz ZCOVRQKRDRAYOQ-HTQZYQBOSA-N 0 3 278.328 -1.013 20 0 CAADHN CC(C)(O)[C@H](F)CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001221260401 780410697 /nfs/dbraw/zinc/41/06/97/780410697.db2.gz POPNKVJELABCAT-RKDXNWHRSA-N 0 3 275.324 -1.458 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCO ZINC001221285258 780412747 /nfs/dbraw/zinc/41/27/47/780412747.db2.gz GWYXNTJRSLAXNP-IUCAKERBSA-N 0 3 288.348 -2.027 20 0 CAADHN O=C(N[C@@H]1CCCNC(=O)C1)[C@H]1COC2(CNC2)CN1 ZINC001221269804 780412926 /nfs/dbraw/zinc/41/29/26/780412926.db2.gz YFODDMQSCTWEOS-NXEZZACHSA-N 0 3 282.344 -1.898 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269847 780413025 /nfs/dbraw/zinc/41/30/25/780413025.db2.gz ZGUPPGMQJYTOQB-RKDXNWHRSA-N 0 3 285.348 -1.453 20 0 CAADHN O=C(N[C@H]1CCCNC(=O)C1)[C@@H]1COC2(CNC2)CN1 ZINC001221269805 780413235 /nfs/dbraw/zinc/41/32/35/780413235.db2.gz YFODDMQSCTWEOS-UWVGGRQHSA-N 0 3 282.344 -1.898 20 0 CAADHN CC[C@@H](C(N)=O)N1CCC(CNC(=O)CNC(N)=O)CC1 ZINC001222346704 780426577 /nfs/dbraw/zinc/42/65/77/780426577.db2.gz YDSRTPMFVUTJMP-JTQLQIEISA-N 0 3 299.375 -1.253 20 0 CAADHN NC(=O)CC(=O)NCC1CCN([C@H]2CCCNC2=O)CC1 ZINC001222691772 780427731 /nfs/dbraw/zinc/42/77/31/780427731.db2.gz RDQGXQLPLUSBGM-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN CN1CC[C@@H](N2CCC(CNC(=O)CC(N)=O)CC2)C1=O ZINC001222695509 780427786 /nfs/dbraw/zinc/42/77/86/780427786.db2.gz PZBZPGULXUNFCS-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN COC(=O)CS(=O)(=O)[N-][C@H]1CC[NH2+]C[C@@H]1F ZINC001238053968 780512389 /nfs/dbraw/zinc/51/23/89/780512389.db2.gz OWAOGBDIMDQQBJ-BQBZGAKWSA-N 0 3 254.283 -1.221 20 0 CAADHN NCCS(=O)(=O)N[C@@H]1CCN(c2ncccn2)C1 ZINC001238037079 780512414 /nfs/dbraw/zinc/51/24/14/780512414.db2.gz YLLMSEWVKGJBQA-SECBINFHSA-N 0 3 271.346 -1.067 20 0 CAADHN C[C@@H](O)CN[C@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001278180075 780512843 /nfs/dbraw/zinc/51/28/43/780512843.db2.gz XRSNLRBTBVHKGQ-SCZZXKLOSA-N 0 3 273.333 -2.040 20 0 CAADHN COC(=O)C1(CNS(=O)(=O)CCN)CCOCC1 ZINC001238035127 780512959 /nfs/dbraw/zinc/51/29/59/780512959.db2.gz BMYBGSRXOKZMAA-UHFFFAOYSA-N 0 3 280.346 -1.166 20 0 CAADHN COC(=O)CS(=O)(=O)[N-][C@H]1CC[NH2+]C[C@H]1F ZINC001238054005 780513049 /nfs/dbraw/zinc/51/30/49/780513049.db2.gz OWAOGBDIMDQQBJ-RQJHMYQMSA-N 0 3 254.283 -1.221 20 0 CAADHN C[C@H](O)CN[C@@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001278180077 780513142 /nfs/dbraw/zinc/51/31/42/780513142.db2.gz XRSNLRBTBVHKGQ-WCBMZHEXSA-N 0 3 273.333 -2.040 20 0 CAADHN O=C1C[C@@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)C2CCOCC2)N1 ZINC001238327621 780515657 /nfs/dbraw/zinc/51/56/57/780515657.db2.gz GQYKJHPVSWRXDZ-GXSJLCMTSA-N 0 3 289.357 -1.337 20 0 CAADHN CCOC(=O)CS(=O)(=O)[N-][C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238324720 780516035 /nfs/dbraw/zinc/51/60/35/780516035.db2.gz BEANTLJWOLFDPS-XCBNKYQSSA-N 0 3 291.329 -1.953 20 0 CAADHN O=C1C[C@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)C2CCOCC2)N1 ZINC001238327625 780516260 /nfs/dbraw/zinc/51/62/60/780516260.db2.gz GQYKJHPVSWRXDZ-MWLCHTKSSA-N 0 3 289.357 -1.337 20 0 CAADHN O=S(=O)([N-]CCC[NH+](CCO)CCO)C(F)F ZINC001259961182 780643972 /nfs/dbraw/zinc/64/39/72/780643972.db2.gz ZTKDTNSQKCHHTK-UHFFFAOYSA-N 0 3 276.305 -1.195 20 0 CAADHN COC(=O)CCC(=O)CNS(=O)(=O)CCN ZINC001238457414 780518397 /nfs/dbraw/zinc/51/83/97/780518397.db2.gz VGBMLIAUARJOQX-UHFFFAOYSA-N 0 3 252.292 -1.613 20 0 CAADHN NCCS(=O)(=O)NCCS(=O)(=O)N1CCCCC1 ZINC001238378954 780518435 /nfs/dbraw/zinc/51/84/35/780518435.db2.gz MSXPRKBOLPKTIA-UHFFFAOYSA-N 0 3 299.418 -1.320 20 0 CAADHN CCOC(=O)CC1([N-]S(=O)(=O)CC[NH3+])COC1 ZINC001238512104 780518506 /nfs/dbraw/zinc/51/85/06/780518506.db2.gz MBJUROABHSELRK-UHFFFAOYSA-N 0 3 266.319 -1.413 20 0 CAADHN CCOC(=O)c1nnc(C[N-]S(=O)(=O)CC[NH3+])o1 ZINC001238397973 780518754 /nfs/dbraw/zinc/51/87/54/780518754.db2.gz GBYXVLSLMMEONT-UHFFFAOYSA-N 0 3 278.290 -1.376 20 0 CAADHN COCCOCCOCCNS(=O)(=O)CCN ZINC001238450019 780518827 /nfs/dbraw/zinc/51/88/27/780518827.db2.gz WCSKZEAFYDGZEQ-UHFFFAOYSA-N 0 3 270.351 -1.456 20 0 CAADHN NCCS(=O)(=O)NC1(C(N)=O)CCOCC1 ZINC001238565820 780518922 /nfs/dbraw/zinc/51/89/22/780518922.db2.gz MGABWMSJVFOJIR-UHFFFAOYSA-N 0 3 251.308 -2.101 20 0 CAADHN CCOC(=O)C(=C[N-]S(=O)(=O)CC[NH3+])C(=O)OCC ZINC001238412763 780519047 /nfs/dbraw/zinc/51/90/47/780519047.db2.gz BHUCQMUCVJRJCD-UHFFFAOYSA-N 0 3 294.329 -1.125 20 0 CAADHN Cn1c(NS(=O)(=O)CCN)cc(=O)n(C)c1=O ZINC001238419355 780519129 /nfs/dbraw/zinc/51/91/29/780519129.db2.gz VREOKDBKLYBMRG-UHFFFAOYSA-N 0 3 262.291 -2.216 20 0 CAADHN CS(=O)(=O)C1(CNS(=O)(=O)CCN)CCC1 ZINC001238543656 780519169 /nfs/dbraw/zinc/51/91/69/780519169.db2.gz VYDHLVYGSQXVAK-UHFFFAOYSA-N 0 3 270.376 -1.168 20 0 CAADHN NCCS(=O)(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001238456127 780519385 /nfs/dbraw/zinc/51/93/85/780519385.db2.gz NUBWYYWWPQLPFU-XUTVFYLZSA-N 0 3 254.308 -3.033 20 0 CAADHN CN1CC[C@H](NC[C@@H](NC(=O)C(N)=O)C2CCCC2)C1=O ZINC001278268172 780521478 /nfs/dbraw/zinc/52/14/78/780521478.db2.gz SFRFBIQJQXLKTG-WDEREUQCSA-N 0 3 296.371 -1.033 20 0 CAADHN CCOC(=O)c1noc(C[N-]S(=O)(=O)CC[NH3+])n1 ZINC001238695666 780521822 /nfs/dbraw/zinc/52/18/22/780521822.db2.gz PGGSAQGJEWBTNH-UHFFFAOYSA-N 0 3 278.290 -1.376 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)[N-][C@@H]1C[NH2+]CC[C@@H]1F ZINC001238896424 780524214 /nfs/dbraw/zinc/52/42/14/780524214.db2.gz XNGRBSBMEPUBHL-NKWVEPMBSA-N 0 3 274.339 -1.392 20 0 CAADHN COC(=O)CS(=O)(=O)[N-][C@@H]1C[NH2+]CC[C@@H]1F ZINC001238896242 780524403 /nfs/dbraw/zinc/52/44/03/780524403.db2.gz VNNZZGIJIHJAJP-NKWVEPMBSA-N 0 3 254.283 -1.221 20 0 CAADHN CC(C)(C)OC(=O)[C@@H](N)CNS(=O)(=O)CCN ZINC001238896423 780524761 /nfs/dbraw/zinc/52/47/61/780524761.db2.gz XFCSTCVGEDXDMW-ZETCQYMHSA-N 0 3 267.351 -1.467 20 0 CAADHN COC(=O)CCS(=O)(=O)[N-][C@@H](CCC[NH3+])C(=O)OC ZINC001238840085 780525044 /nfs/dbraw/zinc/52/50/44/780525044.db2.gz LQWRCVRRQRYJLB-QMMMGPOBSA-N 0 3 296.345 -1.251 20 0 CAADHN NCCS(=O)(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC001238921707 780525763 /nfs/dbraw/zinc/52/57/63/780525763.db2.gz NSDHCNVUFWXYOQ-SNVBAGLBSA-N 0 3 263.363 -1.319 20 0 CAADHN COCCNCC(=O)NCC1(C(N)=O)CCOCC1 ZINC001261454573 780664268 /nfs/dbraw/zinc/66/42/68/780664268.db2.gz MCBWUCVZSCWQST-UHFFFAOYSA-N 0 3 273.333 -1.379 20 0 CAADHN CNS(=O)(=O)CCNC[C@H](O)COC1CCOCC1 ZINC001261437245 780664296 /nfs/dbraw/zinc/66/42/96/780664296.db2.gz YCRYOVHNUKSTRE-JTQLQIEISA-N 0 3 296.389 -1.318 20 0 CAADHN C[C@@H](CNCCC(=O)NC(N)=O)S(C)(=O)=O ZINC001261436674 780664389 /nfs/dbraw/zinc/66/43/89/780664389.db2.gz IKZNYCFMHWMFJM-LURJTMIESA-N 0 3 251.308 -1.406 20 0 CAADHN NS(=O)(=O)[C@@H]1CCN(CC[C@H]2CCNC2=O)C1 ZINC001261544485 780671318 /nfs/dbraw/zinc/67/13/18/780671318.db2.gz UHRVQSYLZTXBMK-RKDXNWHRSA-N 0 3 261.347 -1.125 20 0 CAADHN NS(=O)(=O)[C@H]1CCN(CC[C@@H]2CCNC2=O)C1 ZINC001261544484 780671494 /nfs/dbraw/zinc/67/14/94/780671494.db2.gz UHRVQSYLZTXBMK-IUCAKERBSA-N 0 3 261.347 -1.125 20 0 CAADHN NS(=O)(=O)[C@@H]1CCN(CC[C@@H]2CCNC2=O)C1 ZINC001261544483 780671609 /nfs/dbraw/zinc/67/16/09/780671609.db2.gz UHRVQSYLZTXBMK-DTWKUNHWSA-N 0 3 261.347 -1.125 20 0 CAADHN CNC(=O)CNC(=O)c1ccnn1CCN(C)C ZINC001262154160 780700939 /nfs/dbraw/zinc/70/09/39/780700939.db2.gz YIFKOSJWFSGKRP-UHFFFAOYSA-N 0 3 253.306 -1.080 20 0 CAADHN O=C(CNC[C@@H](O)Cn1cccn1)N1CCCO1 ZINC001262576440 780716469 /nfs/dbraw/zinc/71/64/69/780716469.db2.gz PRFWFMCKUKAKNJ-SNVBAGLBSA-N 0 3 254.290 -1.003 20 0 CAADHN CN1CCC[C@H](NC(=O)[C@@H]2CN(C)C(=O)CN2)C1 ZINC001263097463 780720110 /nfs/dbraw/zinc/72/01/10/780720110.db2.gz XOROJEDUYBNBFU-UWVGGRQHSA-N 0 3 254.334 -1.373 20 0 CAADHN O=C(C[C@H]1CNCCO1)N1CCN2CCOC[C@@H]2C1 ZINC001263185972 780723329 /nfs/dbraw/zinc/72/33/29/780723329.db2.gz NURDVPUNDCNSGT-RYUDHWBXSA-N 0 3 269.345 -1.092 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1CCN2CCOC[C@H]2C1 ZINC001263185593 780723377 /nfs/dbraw/zinc/72/33/77/780723377.db2.gz DDSDFNHUKLZXRP-VXGBXAGGSA-N 0 3 268.361 -1.567 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1CCN2CCOC[C@H]2C1 ZINC001263185590 780723625 /nfs/dbraw/zinc/72/36/25/780723625.db2.gz DDSDFNHUKLZXRP-NEPJUHHUSA-N 0 3 268.361 -1.567 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCCN1CCNC1=O ZINC001263183895 780724114 /nfs/dbraw/zinc/72/41/14/780724114.db2.gz FLKIKVRYOKNPJF-VIFPVBQESA-N 0 3 255.322 -1.969 20 0 CAADHN O=C(C[C@@H]1CNCCO1)N1CCN2CCOC[C@H]2C1 ZINC001263185973 780724178 /nfs/dbraw/zinc/72/41/78/780724178.db2.gz NURDVPUNDCNSGT-VXGBXAGGSA-N 0 3 269.345 -1.092 20 0 CAADHN COC(=O)[C@H](O)CNC[C@H]1CCS(=O)(=O)C1 ZINC000381051542 780727502 /nfs/dbraw/zinc/72/75/02/780727502.db2.gz IALXAKHQQYCWOF-HTQZYQBOSA-N 0 3 251.304 -1.455 20 0 CAADHN O=C(CNC[C@@H](O)CN1CCOCC1)N1CCOCC1 ZINC000379825188 780727859 /nfs/dbraw/zinc/72/78/59/780727859.db2.gz MIGWEJVRLMDNSF-GFCCVEGCSA-N 0 3 287.360 -1.872 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@@H](N)CC(F)F ZINC000380841866 780728082 /nfs/dbraw/zinc/72/80/82/780728082.db2.gz URMWXTUHXLNIGD-YFKPBYRVSA-N 0 3 259.278 -1.366 20 0 CAADHN CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)CC(F)F ZINC000379870785 780728380 /nfs/dbraw/zinc/72/83/80/780728380.db2.gz PFJACAGBCNIBMP-LURJTMIESA-N 0 3 273.305 -1.024 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000388304981 780738369 /nfs/dbraw/zinc/73/83/69/780738369.db2.gz VZMBLRQBKGGSNA-KKZNHRDASA-N 0 3 257.334 -1.075 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000388304990 780738583 /nfs/dbraw/zinc/73/85/83/780738583.db2.gz VZMBLRQBKGGSNA-YWVKMMECSA-N 0 3 257.334 -1.075 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000388304989 780738882 /nfs/dbraw/zinc/73/88/82/780738882.db2.gz VZMBLRQBKGGSNA-QXEWZRGKSA-N 0 3 257.334 -1.075 20 0 CAADHN Cn1ncc(C(=O)N(CCO)CCNCC(N)=O)c1N ZINC001279695971 780776258 /nfs/dbraw/zinc/77/62/58/780776258.db2.gz YMTOBKNACIAMEP-UHFFFAOYSA-N 0 3 284.320 -2.488 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1cn(C)nn1 ZINC001279705437 780776914 /nfs/dbraw/zinc/77/69/14/780776914.db2.gz RYHLQZKTZLCYEP-UHFFFAOYSA-N 0 3 298.347 -2.073 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001279737305 780776946 /nfs/dbraw/zinc/77/69/46/780776946.db2.gz JELWVXOZVHECAA-NXEZZACHSA-N 0 3 295.343 -1.591 20 0 CAADHN Cc1nc(C)c(C(=O)N(CCO)CCNCC(N)=O)[nH]1 ZINC001279831093 780777568 /nfs/dbraw/zinc/77/75/68/780777568.db2.gz UYJFUKBHLRAYKV-UHFFFAOYSA-N 0 3 283.332 -1.464 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1cccnn1 ZINC001279869900 780778115 /nfs/dbraw/zinc/77/81/15/780778115.db2.gz VVLURSMLXSYCMZ-UHFFFAOYSA-N 0 3 295.343 -1.411 20 0 CAADHN C[C@H](CNC(=O)c1nnc[nH]1)N(C)[C@@H]1CCNC1=O ZINC001282470425 780818397 /nfs/dbraw/zinc/81/83/97/780818397.db2.gz YHPPNMYCCZPGFW-HTQZYQBOSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@H](CNC(=O)c1ncn[nH]1)N(C)[C@@H]1CCNC1=O ZINC001282470425 780818407 /nfs/dbraw/zinc/81/84/07/780818407.db2.gz YHPPNMYCCZPGFW-HTQZYQBOSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@H](CNC(=O)c1nc[nH]n1)N(C)[C@@H]1CCNC1=O ZINC001282470425 780818422 /nfs/dbraw/zinc/81/84/22/780818422.db2.gz YHPPNMYCCZPGFW-HTQZYQBOSA-N 0 3 266.305 -1.257 20 0 CAADHN CNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)c1ncn[nH]1 ZINC001282467233 780819807 /nfs/dbraw/zinc/81/98/07/780819807.db2.gz GSDPKUAKZUWHIN-YUMQZZPRSA-N 0 3 268.321 -1.011 20 0 CAADHN CNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC001282467233 780819821 /nfs/dbraw/zinc/81/98/21/780819821.db2.gz GSDPKUAKZUWHIN-YUMQZZPRSA-N 0 3 268.321 -1.011 20 0 CAADHN C[C@@H](CNC(=O)c1nnc[nH]1)N(C)[C@@H]1CCNC1=O ZINC001282470427 780819949 /nfs/dbraw/zinc/81/99/49/780819949.db2.gz YHPPNMYCCZPGFW-JGVFFNPUSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@@H](CNC(=O)c1ncn[nH]1)N(C)[C@@H]1CCNC1=O ZINC001282470427 780819961 /nfs/dbraw/zinc/81/99/61/780819961.db2.gz YHPPNMYCCZPGFW-JGVFFNPUSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@@H](CNC(=O)c1nc[nH]n1)N(C)[C@@H]1CCNC1=O ZINC001282470427 780819968 /nfs/dbraw/zinc/81/99/68/780819968.db2.gz YHPPNMYCCZPGFW-JGVFFNPUSA-N 0 3 266.305 -1.257 20 0 CAADHN NC(=O)CNC1CC(CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001091046528 781447990 /nfs/dbraw/zinc/44/79/90/781447990.db2.gz PQPABLUEWFCOMI-UHFFFAOYSA-N 0 3 289.357 -1.999 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001191185767 781902880 /nfs/dbraw/zinc/90/28/80/781902880.db2.gz OJCOJZBWHISUJA-VXGBXAGGSA-N 0 3 287.360 -1.338 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NCC(N)=O ZINC001054368586 782594717 /nfs/dbraw/zinc/59/47/17/782594717.db2.gz YAKMICVEHWLCTK-SFYZADRCSA-N 0 3 267.293 -2.405 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1NCC(N)=O ZINC001054358230 782594826 /nfs/dbraw/zinc/59/48/26/782594826.db2.gz BKWGFMPRCFDRTN-KOLCDFICSA-N 0 3 278.312 -1.145 20 0 CAADHN CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001054309153 782595235 /nfs/dbraw/zinc/59/52/35/782595235.db2.gz UDFFNNYFUDJWBK-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H]1CN(C(=O)Cn2cccn2)C[C@H]1NCC(N)=O ZINC001054384785 782595445 /nfs/dbraw/zinc/59/54/45/782595445.db2.gz CMUQZNXHUYOWAY-VHSXEESVSA-N 0 3 265.317 -1.195 20 0 CAADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCC(N)=O ZINC001054461392 782595552 /nfs/dbraw/zinc/59/55/52/782595552.db2.gz OSKSFUUJFPFZND-HTQZYQBOSA-N 0 3 277.346 -2.047 20 0 CAADHN C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NCC(N)=O ZINC001054368585 782595592 /nfs/dbraw/zinc/59/55/92/782595592.db2.gz YAKMICVEHWLCTK-JGVFFNPUSA-N 0 3 267.293 -2.405 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1NCC(N)=O ZINC001054463041 782595603 /nfs/dbraw/zinc/59/56/03/782595603.db2.gz LJFIZLHDSPULLY-KOLCDFICSA-N 0 3 279.344 -1.116 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1NCC(N)=O ZINC001054361877 782595838 /nfs/dbraw/zinc/59/58/38/782595838.db2.gz WFZYPMCGXHTDLD-APPZFPTMSA-N 0 3 279.300 -1.282 20 0 CAADHN CCC(=O)N1C[C@H](NCC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC001054309156 782595955 /nfs/dbraw/zinc/59/59/55/782595955.db2.gz UDFFNNYFUDJWBK-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1NCC(N)=O ZINC001054442031 782596106 /nfs/dbraw/zinc/59/61/06/782596106.db2.gz WMBIEHKAOLHHTA-APPZFPTMSA-N 0 3 251.290 -1.055 20 0 CAADHN C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1NCC(N)=O ZINC001054442033 782596127 /nfs/dbraw/zinc/59/61/27/782596127.db2.gz WMBIEHKAOLHHTA-CBAPKCEASA-N 0 3 251.290 -1.055 20 0 CAADHN C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1NCC(N)=O ZINC001054515459 782596932 /nfs/dbraw/zinc/59/69/32/782596932.db2.gz MIBFYMSHPZADPM-WPRPVWTQSA-N 0 3 265.317 -1.126 20 0 CAADHN C[C@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1NCC(N)=O ZINC001054554040 782596967 /nfs/dbraw/zinc/59/69/67/782596967.db2.gz APDBVSYGELOIHZ-DTWKUNHWSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1NCC(N)=O ZINC001054589796 782597084 /nfs/dbraw/zinc/59/70/84/782597084.db2.gz ZEJYFYPNAJGIJW-GHMZBOCLSA-N 0 3 284.360 -1.760 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1NCC(N)=O ZINC001054589800 782597145 /nfs/dbraw/zinc/59/71/45/782597145.db2.gz ZEJYFYPNAJGIJW-MNOVXSKESA-N 0 3 284.360 -1.760 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1NCC(=O)N1CCCC1 ZINC001054499635 782597175 /nfs/dbraw/zinc/59/71/75/782597175.db2.gz QVZJIHZPJSAIJM-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN Cc1c(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)nnn1C ZINC001054523258 782597180 /nfs/dbraw/zinc/59/71/80/782597180.db2.gz JMSCGPZNERDFOS-VXNVDRBHSA-N 0 3 280.332 -1.341 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1NCC(N)=O ZINC001054554038 782597198 /nfs/dbraw/zinc/59/71/98/782597198.db2.gz APDBVSYGELOIHZ-BDAKNGLRSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1NCC(N)=O ZINC001054589803 782597691 /nfs/dbraw/zinc/59/76/91/782597691.db2.gz ZEJYFYPNAJGIJW-QWRGUYRKSA-N 0 3 284.360 -1.760 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1)C(N)=O ZINC001054294404 782592973 /nfs/dbraw/zinc/59/29/73/782592973.db2.gz HUQOMQKAKPSLGJ-IVZWLZJFSA-N 0 3 282.344 -1.281 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H](NCC(N)=O)C2)C1 ZINC001054600712 782597877 /nfs/dbraw/zinc/59/78/77/782597877.db2.gz KWSYJBULZLXMTK-GZMMTYOYSA-N 0 3 282.344 -1.614 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(N)=O ZINC001054298881 782594149 /nfs/dbraw/zinc/59/41/49/782594149.db2.gz HUQOMQKAKPSLGJ-AEJSXWLSSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1)C(N)=O ZINC001054294405 782594166 /nfs/dbraw/zinc/59/41/66/782594166.db2.gz HUQOMQKAKPSLGJ-OPRDCNLKSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(N)=O ZINC001054298882 782594252 /nfs/dbraw/zinc/59/42/52/782594252.db2.gz HUQOMQKAKPSLGJ-BBBLOLIVSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1NCC(N)=O ZINC001054496434 782598215 /nfs/dbraw/zinc/59/82/15/782598215.db2.gz MYZULUQMEZTVLS-YUMQZZPRSA-N 0 3 278.316 -1.406 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1NCC(=O)N1CCCC1 ZINC001054499631 782598266 /nfs/dbraw/zinc/59/82/66/782598266.db2.gz QVZJIHZPJSAIJM-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1NCC(N)=O ZINC001054609951 782598809 /nfs/dbraw/zinc/59/88/09/782598809.db2.gz WBCDVKCQOCQSCQ-ONGXEEELSA-N 0 3 279.344 -1.116 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H](NCC(N)=O)C2)o1 ZINC001054634156 782599106 /nfs/dbraw/zinc/59/91/06/782599106.db2.gz LVQSPOGYKGBTDG-APPZFPTMSA-N 0 3 281.316 -1.158 20 0 CAADHN C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1NCC(N)=O ZINC001054604820 782599164 /nfs/dbraw/zinc/59/91/64/782599164.db2.gz PXNRRTYWBRDOIN-YUMQZZPRSA-N 0 3 282.304 -2.095 20 0 CAADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1NCC(N)=O ZINC001054618225 782599268 /nfs/dbraw/zinc/59/92/68/782599268.db2.gz KDXBKERNPHHEBI-SFYZADRCSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1NCC(N)=O ZINC001054604810 782599352 /nfs/dbraw/zinc/59/93/52/782599352.db2.gz PXNRRTYWBRDOIN-HTQZYQBOSA-N 0 3 282.304 -2.095 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1NCC(N)=O ZINC001054619274 782599400 /nfs/dbraw/zinc/59/94/00/782599400.db2.gz DKTBJYAAVNSYIQ-KOLCDFICSA-N 0 3 277.328 -1.059 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1NCC(N)=O ZINC001054624767 782599425 /nfs/dbraw/zinc/59/94/25/782599425.db2.gz VUFISBLHTQHJTP-HTQZYQBOSA-N 0 3 282.300 -1.486 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC(N)=O ZINC001054616158 782599459 /nfs/dbraw/zinc/59/94/59/782599459.db2.gz RTXYZHJTUQQDLM-HTQZYQBOSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1NCC(N)=O ZINC001054636431 782599488 /nfs/dbraw/zinc/59/94/88/782599488.db2.gz ONRZTRCKWQHDRN-YUMQZZPRSA-N 0 3 251.290 -1.055 20 0 CAADHN C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1NCC(N)=O ZINC001054636430 782599537 /nfs/dbraw/zinc/59/95/37/782599537.db2.gz ONRZTRCKWQHDRN-SFYZADRCSA-N 0 3 251.290 -1.055 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1NCC(N)=O ZINC001054640624 782599593 /nfs/dbraw/zinc/59/95/93/782599593.db2.gz BEQTWCVLBLKOMU-MWLCHTKSSA-N 0 3 279.344 -1.116 20 0 CAADHN C[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1NCC(N)=O ZINC001054640625 782599610 /nfs/dbraw/zinc/59/96/10/782599610.db2.gz BEQTWCVLBLKOMU-ONGXEEELSA-N 0 3 279.344 -1.116 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@H](NCC(N)=O)[C@@H](C)C2)[nH]1 ZINC001054632072 782599817 /nfs/dbraw/zinc/59/98/17/782599817.db2.gz BSFWUQFGXWAEKI-CBAPKCEASA-N 0 3 280.332 -1.423 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1NCCF ZINC001054674568 782599921 /nfs/dbraw/zinc/59/99/21/782599921.db2.gz WWUKJGUKQCOMTJ-BDAKNGLRSA-N 0 3 298.322 -1.217 20 0 CAADHN CCn1ncc(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)n1 ZINC001054629756 782599966 /nfs/dbraw/zinc/59/99/66/782599966.db2.gz RGHNVOYSUGUMDC-PSASIEDQSA-N 0 3 280.332 -1.167 20 0 CAADHN C[C@H]1CN(C(=O)Cc2ccn(C)n2)C[C@H]1NCC(N)=O ZINC001054640621 782599975 /nfs/dbraw/zinc/59/99/75/782599975.db2.gz BEQTWCVLBLKOMU-GXSJLCMTSA-N 0 3 279.344 -1.116 20 0 CAADHN C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@@H]1NCCF ZINC001054674587 782600044 /nfs/dbraw/zinc/60/00/44/782600044.db2.gz WWUKJGUKQCOMTJ-IUCAKERBSA-N 0 3 298.322 -1.217 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)o1 ZINC001054634168 782600129 /nfs/dbraw/zinc/60/01/29/782600129.db2.gz LVQSPOGYKGBTDG-VXNVDRBHSA-N 0 3 281.316 -1.158 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1NCC(N)=O ZINC001054746910 782600633 /nfs/dbraw/zinc/60/06/33/782600633.db2.gz GJQBXJVPUUPVIV-ZJUUUORDSA-N 0 3 298.343 -2.233 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1NCC(N)=O ZINC001054746895 782600869 /nfs/dbraw/zinc/60/08/69/782600869.db2.gz GJQBXJVPUUPVIV-NXEZZACHSA-N 0 3 298.343 -2.233 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001054773797 782601012 /nfs/dbraw/zinc/60/10/12/782601012.db2.gz GIDNORAHYICQJK-XPUUQOCRSA-N 0 3 281.316 -1.041 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1NCC(N)=O ZINC001054736532 782601252 /nfs/dbraw/zinc/60/12/52/782601252.db2.gz KHWPZQUUTAKSIX-SCZZXKLOSA-N 0 3 293.327 -1.189 20 0 CAADHN C[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1NCC(N)=O ZINC001054812199 782601281 /nfs/dbraw/zinc/60/12/81/782601281.db2.gz HSMPSBSQXVGNOJ-GXSJLCMTSA-N 0 3 292.339 -1.079 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001054773792 782601318 /nfs/dbraw/zinc/60/13/18/782601318.db2.gz GIDNORAHYICQJK-POYBYMJQSA-N 0 3 281.316 -1.041 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001054773794 782601402 /nfs/dbraw/zinc/60/14/02/782601402.db2.gz GIDNORAHYICQJK-SVRRBLITSA-N 0 3 281.316 -1.041 20 0 CAADHN C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1NCC(N)=O ZINC001054781522 782601422 /nfs/dbraw/zinc/60/14/22/782601422.db2.gz ZHAMINMIQAPZCI-CBAPKCEASA-N 0 3 279.300 -1.282 20 0 CAADHN C[C@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1[NH2+]CC(N)=O ZINC001054776653 782601461 /nfs/dbraw/zinc/60/14/61/782601461.db2.gz ZXJQSIUNICFOHN-CBAPKCEASA-N 0 3 279.300 -1.282 20 0 CAADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCC(N)=O ZINC001054680444 782601592 /nfs/dbraw/zinc/60/15/92/782601592.db2.gz MOWXDRNPNFRRPX-VXNVDRBHSA-N 0 3 289.357 -2.047 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2nccn2)C[C@@H]1NCC(N)=O ZINC001054697866 782601657 /nfs/dbraw/zinc/60/16/57/782601657.db2.gz QIIJSWHQTPOAFP-BDAKNGLRSA-N 0 3 266.305 -1.800 20 0 CAADHN C[C@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1NCC(N)=O ZINC001054736534 782601670 /nfs/dbraw/zinc/60/16/70/782601670.db2.gz KHWPZQUUTAKSIX-WCBMZHEXSA-N 0 3 293.327 -1.189 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1NCC(N)=O ZINC001054697869 782601751 /nfs/dbraw/zinc/60/17/51/782601751.db2.gz QIIJSWHQTPOAFP-RKDXNWHRSA-N 0 3 266.305 -1.800 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1NCC(N)=O ZINC001054751112 782601781 /nfs/dbraw/zinc/60/17/81/782601781.db2.gz FUAHOKBNTQNYHX-PSASIEDQSA-N 0 3 293.327 -1.684 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1NCCF ZINC001054674589 782601878 /nfs/dbraw/zinc/60/18/78/782601878.db2.gz WWUKJGUKQCOMTJ-RKDXNWHRSA-N 0 3 298.322 -1.217 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001054773789 782602031 /nfs/dbraw/zinc/60/20/31/782602031.db2.gz GIDNORAHYICQJK-HTRCEHHLSA-N 0 3 281.316 -1.041 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1NCC(N)=O ZINC001054848401 782602570 /nfs/dbraw/zinc/60/25/70/782602570.db2.gz XALYWLGTGSWQJI-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1NCC(N)=O ZINC001054823690 782602694 /nfs/dbraw/zinc/60/26/94/782602694.db2.gz PYFDNQLLEJORGV-BDAKNGLRSA-N 0 3 296.331 -2.496 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@@H]1NCC(N)=O ZINC001054884608 782602878 /nfs/dbraw/zinc/60/28/78/782602878.db2.gz FKDOASLWGBKGIC-KOLCDFICSA-N 0 3 292.339 -1.079 20 0 CAADHN C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1NCC(N)=O ZINC001054823692 782603071 /nfs/dbraw/zinc/60/30/71/782603071.db2.gz PYFDNQLLEJORGV-IUCAKERBSA-N 0 3 296.331 -2.496 20 0 CAADHN COc1cc(C(=O)N2C[C@H](NCC(N)=O)[C@@H](C)C2)nn1C ZINC001054889490 782603105 /nfs/dbraw/zinc/60/31/05/782603105.db2.gz ZHAKGLNKRKLDLZ-WPRPVWTQSA-N 0 3 295.343 -1.036 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1NCC(N)=O ZINC001054923149 782603152 /nfs/dbraw/zinc/60/31/52/782603152.db2.gz SBEWGTBZHUDDFH-RKDXNWHRSA-N 0 3 293.327 -1.684 20 0 CAADHN C[C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1NCC(N)=O ZINC001054870121 782603236 /nfs/dbraw/zinc/60/32/36/782603236.db2.gz POPJLBKMPXOSGB-BDAKNGLRSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1NCCF ZINC001054823371 782603334 /nfs/dbraw/zinc/60/33/34/782603334.db2.gz LLAVPIRUOJEHIR-UWVGGRQHSA-N 0 3 285.323 -1.012 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1NCCF ZINC001054823373 782603701 /nfs/dbraw/zinc/60/37/01/782603701.db2.gz LLAVPIRUOJEHIR-ZJUUUORDSA-N 0 3 285.323 -1.012 20 0 CAADHN C[C@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1NCC(N)=O ZINC001054884606 782603724 /nfs/dbraw/zinc/60/37/24/782603724.db2.gz FKDOASLWGBKGIC-GXSJLCMTSA-N 0 3 292.339 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@H]1NCC(N)=O ZINC001054848398 782603740 /nfs/dbraw/zinc/60/37/40/782603740.db2.gz XALYWLGTGSWQJI-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001055020021 782604481 /nfs/dbraw/zinc/60/44/81/782604481.db2.gz IMEAURBFANSVDT-RKDXNWHRSA-N 0 3 268.317 -1.860 20 0 CAADHN C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1NCC(N)=O ZINC001054929957 782604502 /nfs/dbraw/zinc/60/45/02/782604502.db2.gz IUFPBHNMVKDATG-VXNVDRBHSA-N 0 3 294.311 -1.086 20 0 CAADHN C[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1NCC(N)=O ZINC001054990079 782604733 /nfs/dbraw/zinc/60/47/33/782604733.db2.gz WAVWNBZOEXPPAI-GOVZDWNOSA-N 0 3 267.329 -1.199 20 0 CAADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1NCC(N)=O ZINC001054973969 782604777 /nfs/dbraw/zinc/60/47/77/782604777.db2.gz MNSDIYXNGMWEHD-JGVFFNPUSA-N 0 3 281.316 -1.339 20 0 CAADHN Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001054965834 782604786 /nfs/dbraw/zinc/60/47/86/782604786.db2.gz WNXPVZZNNXMEEY-SVRRBLITSA-N 0 3 266.305 -1.351 20 0 CAADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1NCC(N)=O ZINC001054973968 782604830 /nfs/dbraw/zinc/60/48/30/782604830.db2.gz MNSDIYXNGMWEHD-HTQZYQBOSA-N 0 3 281.316 -1.339 20 0 CAADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1NCC(N)=O ZINC001055018884 782604924 /nfs/dbraw/zinc/60/49/24/782604924.db2.gz WEANVCFSEMGEPC-APPZFPTMSA-N 0 3 279.300 -1.695 20 0 CAADHN Cc1n[nH]nc1C(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001054965833 782605042 /nfs/dbraw/zinc/60/50/42/782605042.db2.gz WNXPVZZNNXMEEY-POYBYMJQSA-N 0 3 266.305 -1.351 20 0 CAADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1NCC(N)=O ZINC001055018885 782605088 /nfs/dbraw/zinc/60/50/88/782605088.db2.gz WEANVCFSEMGEPC-CBAPKCEASA-N 0 3 279.300 -1.695 20 0 CAADHN Cc1n[nH]nc1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001054965832 782605183 /nfs/dbraw/zinc/60/51/83/782605183.db2.gz WNXPVZZNNXMEEY-HTRCEHHLSA-N 0 3 266.305 -1.351 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1NCCF ZINC001054969015 782605209 /nfs/dbraw/zinc/60/52/09/782605209.db2.gz NXXFGNUBVLXXGF-GHMZBOCLSA-N 0 3 286.351 -1.176 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1NCC(N)=O ZINC001054968705 782605226 /nfs/dbraw/zinc/60/52/26/782605226.db2.gz LGMUEGKQYMRNBG-VHSXEESVSA-N 0 3 297.359 -2.660 20 0 CAADHN COc1nn(C)cc1C(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001054968192 782605320 /nfs/dbraw/zinc/60/53/20/782605320.db2.gz DGJJTILSCDWENZ-WPRPVWTQSA-N 0 3 295.343 -1.036 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)N1CCC1 ZINC001055020020 782605367 /nfs/dbraw/zinc/60/53/67/782605367.db2.gz IMEAURBFANSVDT-IUCAKERBSA-N 0 3 268.317 -1.860 20 0 CAADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1NCC(N)=O ZINC001055018887 782605554 /nfs/dbraw/zinc/60/55/54/782605554.db2.gz WEANVCFSEMGEPC-VXNVDRBHSA-N 0 3 279.300 -1.695 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NCc1cncn1C ZINC001055020481 782606035 /nfs/dbraw/zinc/60/60/35/782606035.db2.gz PJBNKPOKRPSRIO-WPRPVWTQSA-N 0 3 265.317 -1.158 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)N1CCCC1 ZINC001055020053 782606456 /nfs/dbraw/zinc/60/64/56/782606456.db2.gz ITWLKAKOLXLALT-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCc1cnn(C)c1 ZINC001055020438 782606463 /nfs/dbraw/zinc/60/64/63/782606463.db2.gz OMBUWJBSBWGGTB-PSASIEDQSA-N 0 3 265.317 -1.158 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NCc1cnn(C)c1 ZINC001055020439 782606470 /nfs/dbraw/zinc/60/64/70/782606470.db2.gz OMBUWJBSBWGGTB-SCZZXKLOSA-N 0 3 265.317 -1.158 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N1CCOCC1 ZINC001055022941 782607391 /nfs/dbraw/zinc/60/73/91/782607391.db2.gz IUAWYRFDPYHIER-VHSXEESVSA-N 0 3 298.343 -2.233 20 0 CAADHN CCCN(C)CC(=O)NCCN(CCO)C(=O)COC ZINC001056785758 782636938 /nfs/dbraw/zinc/63/69/38/782636938.db2.gz XMLIVFKVGGUTBS-UHFFFAOYSA-N 0 3 289.376 -1.088 20 0 CAADHN CC[C@@H](C(=O)NCCN(CCO)C(=O)COC)N(C)C ZINC001056785512 782637156 /nfs/dbraw/zinc/63/71/56/782637156.db2.gz NLMDGGXRBZNXJW-NSHDSACASA-N 0 3 289.376 -1.090 20 0 CAADHN C[C@@H](O)CN1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050131633 782658527 /nfs/dbraw/zinc/65/85/27/782658527.db2.gz STUIBLFTBYDVBE-KXUCPTDWSA-N 0 3 255.318 -1.225 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1CCC[C@H]2CN(CCO)C[C@H]21 ZINC001050129222 782658643 /nfs/dbraw/zinc/65/86/43/782658643.db2.gz GHZFESDCRYWUBZ-HBNTYKKESA-N 0 3 282.344 -1.417 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1)NCC(N)=O ZINC001265767349 782659636 /nfs/dbraw/zinc/65/96/36/782659636.db2.gz ZPZNEVGRVWYGIT-VIFPVBQESA-N 0 3 258.322 -2.102 20 0 CAADHN CNC(=O)[C@H](C)N1CCC2(CN(C(=O)CC(N)=O)C2)CC1 ZINC001050469907 782663341 /nfs/dbraw/zinc/66/33/41/782663341.db2.gz VOSIPTCLWSTIEM-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050643528 782668400 /nfs/dbraw/zinc/66/84/00/782668400.db2.gz ACDIOJWJUZCJPH-SNVBAGLBSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050643527 782669348 /nfs/dbraw/zinc/66/93/48/782669348.db2.gz ACDIOJWJUZCJPH-JTQLQIEISA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050772491 782670163 /nfs/dbraw/zinc/67/01/63/782670163.db2.gz MYSOHDAKUAILJH-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN COCC(=O)N1CCO[C@@H](CN[C@@H]2CCC(=O)NC2=O)C1 ZINC001051375512 782694122 /nfs/dbraw/zinc/69/41/22/782694122.db2.gz HLFNOTBGPVPVLE-VHSXEESVSA-N 0 3 299.327 -1.745 20 0 CAADHN COCC(=O)N1CCO[C@H](CN[C@@H]2CCC(=O)NC2=O)C1 ZINC001051375499 782694343 /nfs/dbraw/zinc/69/43/43/782694343.db2.gz HLFNOTBGPVPVLE-NXEZZACHSA-N 0 3 299.327 -1.745 20 0 CAADHN COCC(=O)N1CCO[C@@H](CN[C@H]2CCN(C)C2=O)C1 ZINC001051374419 782694819 /nfs/dbraw/zinc/69/48/19/782694819.db2.gz JITDGKXZHSUECG-QWRGUYRKSA-N 0 3 285.344 -1.320 20 0 CAADHN O=C(c1cc[nH]n1)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051455841 782695655 /nfs/dbraw/zinc/69/56/55/782695655.db2.gz QSDYYDXKOJXIPN-NXEZZACHSA-N 0 3 293.327 -1.271 20 0 CAADHN O=C(c1cc[nH]n1)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051455842 782696010 /nfs/dbraw/zinc/69/60/10/782696010.db2.gz QSDYYDXKOJXIPN-UWVGGRQHSA-N 0 3 293.327 -1.271 20 0 CAADHN CC(=O)N1CCO[C@@H](CN[C@@H]2CCC(=O)NC2=O)C1 ZINC001051384841 782696126 /nfs/dbraw/zinc/69/61/26/782696126.db2.gz VKTNEAMCOHCKTH-VHSXEESVSA-N 0 3 269.301 -1.372 20 0 CAADHN O=C(c1ccon1)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051461231 782696239 /nfs/dbraw/zinc/69/62/39/782696239.db2.gz NTNKDJKAHPUBFW-NXEZZACHSA-N 0 3 294.311 -1.006 20 0 CAADHN O=C(c1cn[nH]c1)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051462688 782697232 /nfs/dbraw/zinc/69/72/32/782697232.db2.gz JNLVUVIKKPQDKF-QWRGUYRKSA-N 0 3 293.327 -1.271 20 0 CAADHN CN1CC[C@H](NC[C@H]2CN(C(=O)CC(N)=O)CCO2)C1=O ZINC001051506166 782698253 /nfs/dbraw/zinc/69/82/53/782698253.db2.gz YBMRYANCYYKWKY-UWVGGRQHSA-N 0 3 298.343 -2.091 20 0 CAADHN Cn1cncc1CNC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001051502670 782698328 /nfs/dbraw/zinc/69/83/28/782698328.db2.gz UQKOCPIPUOGBBN-NSHDSACASA-N 0 3 295.343 -1.388 20 0 CAADHN Cc1nc(CNC[C@@H]2CN(C(=O)CC(N)=O)CCO2)n[nH]1 ZINC001051504226 782698497 /nfs/dbraw/zinc/69/84/97/782698497.db2.gz GQHRHIQXZVSPSL-SECBINFHSA-N 0 3 296.331 -1.694 20 0 CAADHN O=C(c1cocn1)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051490446 782698923 /nfs/dbraw/zinc/69/89/23/782698923.db2.gz ZALYYHCQQUWRCG-UWVGGRQHSA-N 0 3 294.311 -1.006 20 0 CAADHN NC(=O)CC(=O)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051505132 782699052 /nfs/dbraw/zinc/69/90/52/782699052.db2.gz MLCKHZWRBRBHQX-BDAKNGLRSA-N 0 3 284.316 -2.433 20 0 CAADHN NC(=O)CC(=O)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051505134 782699295 /nfs/dbraw/zinc/69/92/95/782699295.db2.gz MLCKHZWRBRBHQX-IUCAKERBSA-N 0 3 284.316 -2.433 20 0 CAADHN O=C(c1cocn1)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051490448 782699323 /nfs/dbraw/zinc/69/93/23/782699323.db2.gz ZALYYHCQQUWRCG-ZJUUUORDSA-N 0 3 294.311 -1.006 20 0 CAADHN O=C(c1ncc[nH]1)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051603494 782700263 /nfs/dbraw/zinc/70/02/63/782700263.db2.gz YYJLOLBPBWUARS-ZJUUUORDSA-N 0 3 293.327 -1.271 20 0 CAADHN O=C(c1cn[nH]n1)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051696854 782700845 /nfs/dbraw/zinc/70/08/45/782700845.db2.gz AHLLQIMKEIAAAK-IUCAKERBSA-N 0 3 294.315 -1.876 20 0 CAADHN O=C(c1ncc[nH]1)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051603493 782701047 /nfs/dbraw/zinc/70/10/47/782701047.db2.gz YYJLOLBPBWUARS-VHSXEESVSA-N 0 3 293.327 -1.271 20 0 CAADHN CC(C)(O)CC(=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051582028 782701173 /nfs/dbraw/zinc/70/11/73/782701173.db2.gz UOZNCZTXRMWRAT-WDEREUQCSA-N 0 3 299.371 -1.147 20 0 CAADHN O=C(c1cnco1)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051742131 782701609 /nfs/dbraw/zinc/70/16/09/782701609.db2.gz CRLIAWRNBKNSCK-UWVGGRQHSA-N 0 3 294.311 -1.006 20 0 CAADHN O=C(c1cnco1)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051742132 782702473 /nfs/dbraw/zinc/70/24/73/782702473.db2.gz CRLIAWRNBKNSCK-VHSXEESVSA-N 0 3 294.311 -1.006 20 0 CAADHN NC(=O)C(=O)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051793440 782704375 /nfs/dbraw/zinc/70/43/75/782704375.db2.gz AMAQBERJKBZZSW-SFYZADRCSA-N 0 3 270.289 -2.823 20 0 CAADHN CN1CC[C@@H](NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051794114 782704416 /nfs/dbraw/zinc/70/44/16/782704416.db2.gz HLNCHKUYEGJRBD-RKDXNWHRSA-N 0 3 284.316 -2.481 20 0 CAADHN Cc1nn(C)cc1CNC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051795076 782705747 /nfs/dbraw/zinc/70/57/47/782705747.db2.gz ZFGAWWXHWIFWAG-NSHDSACASA-N 0 3 295.343 -1.469 20 0 CAADHN Cn1cc(CNC[C@H]2CN(C(=O)C(N)=O)CCO2)cn1 ZINC001051795393 782706310 /nfs/dbraw/zinc/70/63/10/782706310.db2.gz FZTAKMMPQGHCAL-JTQLQIEISA-N 0 3 281.316 -1.778 20 0 CAADHN Cc1nc(CNC[C@@H]2CN(C(=O)C(N)=O)CCO2)n[nH]1 ZINC001051794660 782706654 /nfs/dbraw/zinc/70/66/54/782706654.db2.gz QVXHPTFSYSHYQD-MRVPVSSYSA-N 0 3 282.304 -2.085 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H](CNCc2cncs2)C1 ZINC001051794820 782706860 /nfs/dbraw/zinc/70/68/60/782706860.db2.gz UBHJRKKMGUQELE-QMMMGPOBSA-N 0 3 284.341 -1.055 20 0 CAADHN NC(=O)C(=O)N1CCO[C@H](CNCc2cncs2)C1 ZINC001051794819 782707205 /nfs/dbraw/zinc/70/72/05/782707205.db2.gz UBHJRKKMGUQELE-MRVPVSSYSA-N 0 3 284.341 -1.055 20 0 CAADHN O=C(c1nc[nH]n1)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051872926 782707921 /nfs/dbraw/zinc/70/79/21/782707921.db2.gz PNGYCKYIFDMTTP-IUCAKERBSA-N 0 3 294.315 -1.876 20 0 CAADHN O=C(c1nc[n-]n1)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051872926 782707940 /nfs/dbraw/zinc/70/79/40/782707940.db2.gz PNGYCKYIFDMTTP-IUCAKERBSA-N 0 3 294.315 -1.876 20 0 CAADHN O=C(c1nc[nH]n1)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051872923 782708846 /nfs/dbraw/zinc/70/88/46/782708846.db2.gz PNGYCKYIFDMTTP-DTWKUNHWSA-N 0 3 294.315 -1.876 20 0 CAADHN O=C(c1nc[n-]n1)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051872923 782708850 /nfs/dbraw/zinc/70/88/50/782708850.db2.gz PNGYCKYIFDMTTP-DTWKUNHWSA-N 0 3 294.315 -1.876 20 0 CAADHN CC(=O)NCCN(CCO)C(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC001057833801 782717409 /nfs/dbraw/zinc/71/74/09/782717409.db2.gz RJPXFZTWFJTOHP-CHWSQXEVSA-N 0 3 299.371 -1.193 20 0 CAADHN CC[C@@H](C(=O)N(CCO)CCNC(=O)COC)N(C)C ZINC001058166581 782723762 /nfs/dbraw/zinc/72/37/62/782723762.db2.gz FPIKLVNAHJFYRU-NSHDSACASA-N 0 3 289.376 -1.090 20 0 CAADHN CN1CC[C@@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001255416872 782731390 /nfs/dbraw/zinc/73/13/90/782731390.db2.gz ATUJEZUPKPTHMG-SYWHDRQISA-N 0 3 262.306 -2.920 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)C(N)=O ZINC001114935228 782732914 /nfs/dbraw/zinc/73/29/14/782732914.db2.gz MWWOBUSHPOWBCE-MIZYBKAJSA-N 0 3 298.343 -2.595 20 0 CAADHN C[C@H](O)CN1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001276380659 782733060 /nfs/dbraw/zinc/73/30/60/782733060.db2.gz BZQNUQHEOYATEL-IUCAKERBSA-N 0 3 268.321 -1.510 20 0 CAADHN CN1CC[C@@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001255416873 782729757 /nfs/dbraw/zinc/72/97/57/782729757.db2.gz ATUJEZUPKPTHMG-VRGHXPGPSA-N 0 3 262.306 -2.920 20 0 CAADHN CSCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070133274 782746815 /nfs/dbraw/zinc/74/68/15/782746815.db2.gz PPVFHDSZEIEJCI-ZJUUUORDSA-N 0 3 285.373 -1.025 20 0 CAADHN O=C(C(F)F)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070115849 782747326 /nfs/dbraw/zinc/74/73/26/782747326.db2.gz AZTOZWFCUXOLJF-SFYZADRCSA-N 0 3 275.259 -1.123 20 0 CAADHN O=C(c1cocn1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070158464 782748014 /nfs/dbraw/zinc/74/80/14/782748014.db2.gz LOOYENAQYBASJH-KOLCDFICSA-N 0 3 292.299 -1.086 20 0 CAADHN CC(C)(O)CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070185116 782748290 /nfs/dbraw/zinc/74/82/90/782748290.db2.gz FGGXBHXHLYVNNW-MNOVXSKESA-N 0 3 297.359 -1.227 20 0 CAADHN O=C(c1cnon1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070300191 782749197 /nfs/dbraw/zinc/74/91/97/782749197.db2.gz ZARMNHJENCHCMC-ZJUUUORDSA-N 0 3 293.287 -1.691 20 0 CAADHN Cn1cncc1[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCCO ZINC001070684566 782752975 /nfs/dbraw/zinc/75/29/75/782752975.db2.gz NVPFQLGWHAHNGI-RKDXNWHRSA-N 0 3 281.316 -2.218 20 0 CAADHN CCN(CC)CC(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001070767607 782754497 /nfs/dbraw/zinc/75/44/97/782754497.db2.gz FFRRTSNAXMMFNJ-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@@]2(CCN(CCO)C2)O1 ZINC001071149280 782756662 /nfs/dbraw/zinc/75/66/62/782756662.db2.gz JJXMQAVPSNMDMR-MFKMUULPSA-N 0 3 285.344 -1.454 20 0 CAADHN CCCN(C)CC(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001071053816 782757357 /nfs/dbraw/zinc/75/73/57/782757357.db2.gz LUBPHSNBCGPJIT-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)C[C@@]2(CCN(CCO)C2)O1 ZINC001071149278 782757829 /nfs/dbraw/zinc/75/78/29/782757829.db2.gz JJXMQAVPSNMDMR-GWCFXTLKSA-N 0 3 285.344 -1.454 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@@]2(CCN(CCCO)C2)O1 ZINC001071150064 782758963 /nfs/dbraw/zinc/75/89/63/782758963.db2.gz WULHUGWOIHFAHQ-RISCZKNCSA-N 0 3 299.371 -1.064 20 0 CAADHN COCCN1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001071203746 782758983 /nfs/dbraw/zinc/75/89/83/782758983.db2.gz HFIVTUIGHCWTLX-GWCFXTLKSA-N 0 3 285.344 -1.190 20 0 CAADHN CN(C)[C@H](C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1)C1CC1 ZINC001071221355 782760048 /nfs/dbraw/zinc/76/00/48/782760048.db2.gz XEWKXEOOLBHMBQ-MNOVXSKESA-N 0 3 296.371 -1.081 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1)N(C)C ZINC001071220942 782760083 /nfs/dbraw/zinc/76/00/83/782760083.db2.gz PEVZHPULZFLFHR-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)CN2CN=NC2=O)CN1CCO ZINC001071444797 782761960 /nfs/dbraw/zinc/76/19/60/782761960.db2.gz RPGSJOMKQFODMC-VHSXEESVSA-N 0 3 283.332 -1.055 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)CN2CCOCC2=O)CN1CCO ZINC001071574011 782765862 /nfs/dbraw/zinc/76/58/62/782765862.db2.gz LPVDEXFTBDLXBJ-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)CN1CCO ZINC001071624454 782766136 /nfs/dbraw/zinc/76/61/36/782766136.db2.gz HGPCWLSUNZHKGI-WDEREUQCSA-N 0 3 297.359 -1.457 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)CN2CCOCC2=O)CN1CCO ZINC001071574018 782766425 /nfs/dbraw/zinc/76/64/25/782766425.db2.gz LPVDEXFTBDLXBJ-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)CN1CCO ZINC001071624452 782766622 /nfs/dbraw/zinc/76/66/22/782766622.db2.gz HGPCWLSUNZHKGI-MNOVXSKESA-N 0 3 297.359 -1.457 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CN1CCO ZINC001071739597 782767473 /nfs/dbraw/zinc/76/74/73/782767473.db2.gz VXJQVJADJFLFNT-RYUDHWBXSA-N 0 3 298.387 -1.620 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)CN1CCO ZINC001071739596 782767548 /nfs/dbraw/zinc/76/75/48/782767548.db2.gz VXJQVJADJFLFNT-NWDGAFQWSA-N 0 3 298.387 -1.620 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)CN1CCO ZINC001071901537 782771001 /nfs/dbraw/zinc/77/10/01/782771001.db2.gz SIJZSRVZKOGZFY-VHSXEESVSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CN1CCO ZINC001072054670 782772072 /nfs/dbraw/zinc/77/20/72/782772072.db2.gz HNSRZPMFFRDWRB-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNCc1cn(C)nn1 ZINC001072353354 782774518 /nfs/dbraw/zinc/77/45/18/782774518.db2.gz SVAWJYNVPPFHHX-UWVGGRQHSA-N 0 3 294.359 -1.125 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC001072286754 782774606 /nfs/dbraw/zinc/77/46/06/782774606.db2.gz NXCFTDMYRAGHSD-UWVGGRQHSA-N 0 3 284.360 -1.225 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001072286753 782774976 /nfs/dbraw/zinc/77/49/76/782774976.db2.gz NXCFTDMYRAGHSD-NXEZZACHSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@H]1CCN(C(=O)C(N)=O)C[C@H]1CNCc1cn(C)nn1 ZINC001072353355 782775262 /nfs/dbraw/zinc/77/52/62/782775262.db2.gz SVAWJYNVPPFHHX-VHSXEESVSA-N 0 3 294.359 -1.125 20 0 CAADHN CCCN(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC001072482074 782777145 /nfs/dbraw/zinc/77/71/45/782777145.db2.gz YZCCRKDQBJACRO-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CON(C)C(=O)CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000397465730 782779088 /nfs/dbraw/zinc/77/90/88/782779088.db2.gz ITOMGAIYPXNGOQ-SECBINFHSA-N 0 3 287.276 -1.238 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072638193 782779951 /nfs/dbraw/zinc/77/99/51/782779951.db2.gz HOHYBSNIBSEING-ZJUUUORDSA-N 0 3 296.371 -1.081 20 0 CAADHN CCN(CC)CC(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001072638315 782780128 /nfs/dbraw/zinc/78/01/28/782780128.db2.gz JCOHUZRPMSUCBP-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001072638316 782780219 /nfs/dbraw/zinc/78/02/19/782780219.db2.gz JCOHUZRPMSUCBP-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001072638314 782780262 /nfs/dbraw/zinc/78/02/62/782780262.db2.gz JCOHUZRPMSUCBP-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN Cn1nncc1C(=O)N1CC2(C1)CCN(CCO)C2 ZINC001072687502 782782097 /nfs/dbraw/zinc/78/20/97/782782097.db2.gz YIUPZHBXNNSUBX-UHFFFAOYSA-N 0 3 265.317 -1.045 20 0 CAADHN CN1CC(C(=O)N2CC3(C2)CCN(CC(N)=O)C3)=NC1=O ZINC001072948734 782788011 /nfs/dbraw/zinc/78/80/11/782788011.db2.gz OWZPUVZWWNYBEJ-UHFFFAOYSA-N 0 3 293.327 -1.241 20 0 CAADHN NC(=O)C(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072938033 782788862 /nfs/dbraw/zinc/78/88/62/782788862.db2.gz MGWQWURDSZOUNB-UHFFFAOYSA-N 0 3 278.316 -1.702 20 0 CAADHN C[C@@H](O)CN1CCCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001073733701 782798432 /nfs/dbraw/zinc/79/84/32/782798432.db2.gz IBDRTNZGRMNOEG-ZJUUUORDSA-N 0 3 298.347 -1.588 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1CCC(=O)N1 ZINC001073554612 782793327 /nfs/dbraw/zinc/79/33/27/782793327.db2.gz KCBPIANVULRNHS-WDEREUQCSA-N 0 3 285.344 -1.536 20 0 CAADHN O=C(NC[C@@H]1CN(CCCO)CCCO1)[C@H]1CCC(=O)N1 ZINC001073555122 782794102 /nfs/dbraw/zinc/79/41/02/782794102.db2.gz WLYDKNIAUTZOPH-VXGBXAGGSA-N 0 3 299.371 -1.146 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H]2CN(CCO)CCCO2)C1 ZINC001073585965 782794264 /nfs/dbraw/zinc/79/42/64/782794264.db2.gz WNLTVRLCRBHXKQ-CYBMUJFWSA-N 0 3 299.371 -1.336 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1COC(=O)N1 ZINC001073588877 782794719 /nfs/dbraw/zinc/79/47/19/782794719.db2.gz GWAZGFJJWXFVMD-ZJUUUORDSA-N 0 3 287.316 -1.706 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1COC(=O)N1 ZINC001073588864 782794890 /nfs/dbraw/zinc/79/48/90/782794890.db2.gz GWAZGFJJWXFVMD-NXEZZACHSA-N 0 3 287.316 -1.706 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H]2CN(CCO)CCCO2)CC1=O ZINC001073630135 782794996 /nfs/dbraw/zinc/79/49/96/782794996.db2.gz NXNMUJZMSGWEIY-NEPJUHHUSA-N 0 3 299.371 -1.336 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@@H]1CCNC(=O)C1 ZINC001073571628 782795016 /nfs/dbraw/zinc/79/50/16/782795016.db2.gz GFQPKQYIVVZVQM-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1COC(=O)N1 ZINC001073588875 782795105 /nfs/dbraw/zinc/79/51/05/782795105.db2.gz GWAZGFJJWXFVMD-VHSXEESVSA-N 0 3 287.316 -1.706 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@@H]1CCNC1=O ZINC001073729765 782795849 /nfs/dbraw/zinc/79/58/49/782795849.db2.gz WHPVAHCDSXCONW-WDEREUQCSA-N 0 3 285.344 -1.678 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)c1cnc[nH]c1=O ZINC001073654978 782795894 /nfs/dbraw/zinc/79/58/94/782795894.db2.gz SGESDIWSNKWNTG-SNVBAGLBSA-N 0 3 296.327 -1.005 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1CCC(=O)NC1 ZINC001073672864 782795974 /nfs/dbraw/zinc/79/59/74/782795974.db2.gz RBIRAKMDOOCTFK-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1CCCNC1=O ZINC001073649519 782796247 /nfs/dbraw/zinc/79/62/47/782796247.db2.gz XKIVXTZHFLNENR-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN COCCN1CCCO[C@@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001073726551 782796292 /nfs/dbraw/zinc/79/62/92/782796292.db2.gz OHKNFOSKYHOUPX-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1CCCNC1=O ZINC001073649522 782796317 /nfs/dbraw/zinc/79/63/17/782796317.db2.gz XKIVXTZHFLNENR-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@H]1C[N@H+](CCO)CCCO1 ZINC001073722812 782796565 /nfs/dbraw/zinc/79/65/65/782796565.db2.gz SGYZLONRHUOKGV-JTQLQIEISA-N 0 3 283.332 -1.074 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@H]1C[N@@H+](CCO)CCCO1 ZINC001073722812 782796570 /nfs/dbraw/zinc/79/65/70/782796570.db2.gz SGYZLONRHUOKGV-JTQLQIEISA-N 0 3 283.332 -1.074 20 0 CAADHN O=C(NC[C@@H]1CN(CCCO)CCCO1)[C@@H]1CCNC1=O ZINC001073729871 782796590 /nfs/dbraw/zinc/79/65/90/782796590.db2.gz ZBYPYRLTZBVPAW-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN COCCN1CCCO[C@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001073726550 782796829 /nfs/dbraw/zinc/79/68/29/782796829.db2.gz OHKNFOSKYHOUPX-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)c1cnc[nH]c1=O ZINC001073654977 782797182 /nfs/dbraw/zinc/79/71/82/782797182.db2.gz SGESDIWSNKWNTG-JTQLQIEISA-N 0 3 296.327 -1.005 20 0 CAADHN CCN1CCCO[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001073751756 782798708 /nfs/dbraw/zinc/79/87/08/782798708.db2.gz HXJFROXBAGLQRN-VHSXEESVSA-N 0 3 270.333 -1.105 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001073769466 782797447 /nfs/dbraw/zinc/79/74/47/782797447.db2.gz HTZAOEQXZGTENW-TUAOUCFPSA-N 0 3 299.371 -1.303 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001073769467 782797605 /nfs/dbraw/zinc/79/76/05/782797605.db2.gz HTZAOEQXZGTENW-UTUOFQBUSA-N 0 3 299.371 -1.303 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073769584 782797763 /nfs/dbraw/zinc/79/77/63/782797763.db2.gz LEEFRJJUIUTFJI-AXFHLTTASA-N 0 3 285.344 -1.693 20 0 CAADHN CCN1CCCO[C@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001073751757 782797772 /nfs/dbraw/zinc/79/77/72/782797772.db2.gz HXJFROXBAGLQRN-ZJUUUORDSA-N 0 3 270.333 -1.105 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)c1c[nH]c(=O)cn1 ZINC001073748886 782797873 /nfs/dbraw/zinc/79/78/73/782797873.db2.gz LCLCKHPPPLBFHK-JTQLQIEISA-N 0 3 296.327 -1.417 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)C1=O ZINC001073732822 782798082 /nfs/dbraw/zinc/79/80/82/782798082.db2.gz YKROXKMJGPVBTR-NEPJUHHUSA-N 0 3 299.371 -1.336 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073732119 782798205 /nfs/dbraw/zinc/79/82/05/782798205.db2.gz HIXKGIOIWRFRAF-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H]2CN(CCCO)CCCO2)n1 ZINC001073734285 782798237 /nfs/dbraw/zinc/79/82/37/782798237.db2.gz RHQNIBAPAPNENR-SNVBAGLBSA-N 0 3 298.347 -1.587 20 0 CAADHN COCCN1CCCO[C@@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001073769622 782798915 /nfs/dbraw/zinc/79/89/15/782798915.db2.gz MAWFPHJOVNKNHB-TUAOUCFPSA-N 0 3 299.371 -1.039 20 0 CAADHN COCCN1CCCO[C@H](CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001073769623 782798944 /nfs/dbraw/zinc/79/89/44/782798944.db2.gz MAWFPHJOVNKNHB-UTUOFQBUSA-N 0 3 299.371 -1.039 20 0 CAADHN CCN1CCCO[C@H](CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001073751754 782799232 /nfs/dbraw/zinc/79/92/32/782799232.db2.gz HXJFROXBAGLQRN-NXEZZACHSA-N 0 3 270.333 -1.105 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)CCCO2)[nH]c1=O ZINC001073755885 782799301 /nfs/dbraw/zinc/79/93/01/782799301.db2.gz MGCJLZLUZDLWMT-SNVBAGLBSA-N 0 3 298.343 -1.061 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)CCCO2)[nH]c1=O ZINC001073755884 782799338 /nfs/dbraw/zinc/79/93/38/782799338.db2.gz MGCJLZLUZDLWMT-JTQLQIEISA-N 0 3 298.343 -1.061 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@@H]1CCC(=O)N1 ZINC001073863247 782800456 /nfs/dbraw/zinc/80/04/56/782800456.db2.gz KCBPIANVULRNHS-QWRGUYRKSA-N 0 3 285.344 -1.536 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)Cn1cnnn1 ZINC001074520708 782806659 /nfs/dbraw/zinc/80/66/59/782806659.db2.gz PIMIHBPJCJKJHT-GUBZILKMSA-N 0 3 293.331 -1.859 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C)C(N)=O ZINC001074553892 782807144 /nfs/dbraw/zinc/80/71/44/782807144.db2.gz DJPJLFOBNSXQLH-CIUDSAMLSA-N 0 3 291.373 -1.516 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1COCCO1 ZINC001074542641 782807872 /nfs/dbraw/zinc/80/78/72/782807872.db2.gz BNFVEOMJIPMCBK-LPEHRKFASA-N 0 3 271.317 -1.534 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCN1C(=O)C(N)=O ZINC001074847058 782813321 /nfs/dbraw/zinc/81/33/21/782813321.db2.gz MYDYMTORCHTHEQ-XHNCKOQMSA-N 0 3 268.317 -1.719 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CCC(=O)N1C ZINC001074821987 782813398 /nfs/dbraw/zinc/81/33/98/782813398.db2.gz MXFMYAMKCAUPMH-LPEHRKFASA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1COCCN1C ZINC001074612645 782808322 /nfs/dbraw/zinc/80/83/22/782808322.db2.gz GLUFILREQHIVOD-GARJFASQSA-N 0 3 284.360 -1.619 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C)C(N)=O ZINC001074563626 782808354 /nfs/dbraw/zinc/80/83/54/782808354.db2.gz TWQJNFZLHNRYEJ-XFWSIPNHSA-N 0 3 282.344 -1.282 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1COCCN1C ZINC001074612644 782808402 /nfs/dbraw/zinc/80/84/02/782808402.db2.gz GLUFILREQHIVOD-DCAQKATOSA-N 0 3 284.360 -1.619 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)c1ncn(C)n1 ZINC001074640633 782808515 /nfs/dbraw/zinc/80/85/15/782808515.db2.gz DEDBQSNHYAUDKN-GUBZILKMSA-N 0 3 292.343 -1.104 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)c1cn(C)nn1 ZINC001074638810 782808648 /nfs/dbraw/zinc/80/86/48/782808648.db2.gz KKOAZVOOMAUIDB-LPEHRKFASA-N 0 3 292.343 -1.104 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1C)C(N)=O ZINC001074611019 782808751 /nfs/dbraw/zinc/80/87/51/782808751.db2.gz JQNDIYBKXBPLTA-WOPDTQHZSA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001074600540 782808796 /nfs/dbraw/zinc/80/87/96/782808796.db2.gz ULKQBOSSAJYWOL-GUBZILKMSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC001074563685 782808815 /nfs/dbraw/zinc/80/88/15/782808815.db2.gz YOUWHDNBTLBEDR-UKKRHICBSA-N 0 3 294.355 -1.268 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCN1C(=O)CC(N)=O ZINC001074574979 782809321 /nfs/dbraw/zinc/80/93/21/782809321.db2.gz GHQJFCVNOSPMRM-LPEHRKFASA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001074581801 782809427 /nfs/dbraw/zinc/80/94/27/782809427.db2.gz QEHJXTQQBMHRQF-DCAQKATOSA-N 0 3 284.360 -1.619 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CN(C)CCO1 ZINC001074581802 782809457 /nfs/dbraw/zinc/80/94/57/782809457.db2.gz QEHJXTQQBMHRQF-GARJFASQSA-N 0 3 284.360 -1.619 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1C)C(N)=O ZINC001074837982 782813455 /nfs/dbraw/zinc/81/34/55/782813455.db2.gz UGEIPBQOLPMWRT-VGMNWLOBSA-N 0 3 293.327 -1.164 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1C)C(N)=O ZINC001074667586 782809838 /nfs/dbraw/zinc/80/98/38/782809838.db2.gz PBAJAQJHSDNEOM-GUBZILKMSA-N 0 3 280.332 -1.269 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@@H]1CCC(=O)NC1 ZINC001074682850 782809871 /nfs/dbraw/zinc/80/98/71/782809871.db2.gz LOULOOAVWHCMMJ-DCAQKATOSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@H]1CCNC1=O ZINC001074682892 782810486 /nfs/dbraw/zinc/81/04/86/782810486.db2.gz MZRYZOUHCBGOAX-AEJSXWLSSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)Cn1nccn1 ZINC001074669059 782810554 /nfs/dbraw/zinc/81/05/54/782810554.db2.gz KOOAEAYKDBLPPU-GARJFASQSA-N 0 3 292.343 -1.254 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)Cn1nccn1 ZINC001074669058 782810830 /nfs/dbraw/zinc/81/08/30/782810830.db2.gz KOOAEAYKDBLPPU-DCAQKATOSA-N 0 3 292.343 -1.254 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1OCCO[C@H]1C ZINC001074692153 782810850 /nfs/dbraw/zinc/81/08/50/782810850.db2.gz YTSOGOWKSVWBQO-GMOBBJLQSA-N 0 3 285.344 -1.145 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1C)C(N)=O ZINC001074667587 782810916 /nfs/dbraw/zinc/81/09/16/782810916.db2.gz PBAJAQJHSDNEOM-UTLUCORTSA-N 0 3 280.332 -1.269 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)C(N)=O ZINC001074846247 782813563 /nfs/dbraw/zinc/81/35/63/782813563.db2.gz UCBGAHGRQMKZFN-BIIVOSGPSA-N 0 3 254.290 -2.061 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001074716699 782811919 /nfs/dbraw/zinc/81/19/19/782811919.db2.gz JCODUWAKTUSCEO-DCAQKATOSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001074723468 782812107 /nfs/dbraw/zinc/81/21/07/782812107.db2.gz XKMKMWSEHGCOFA-GUBZILKMSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001074723467 782812239 /nfs/dbraw/zinc/81/22/39/782812239.db2.gz XKMKMWSEHGCOFA-AEJSXWLSSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCN1C(=O)C(N)=O ZINC001074847057 782812837 /nfs/dbraw/zinc/81/28/37/782812837.db2.gz MYDYMTORCHTHEQ-CIUDSAMLSA-N 0 3 268.317 -1.719 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCCNC2=O)CCN1C(=O)C(N)=O ZINC001074846005 782813683 /nfs/dbraw/zinc/81/36/83/782813683.db2.gz HJTILLBNJRBMEZ-CIUDSAMLSA-N 0 3 268.317 -1.671 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C)C(N)=O ZINC001074964906 782814216 /nfs/dbraw/zinc/81/42/16/782814216.db2.gz YYRCBXPJYLEYCX-CIUDSAMLSA-N 0 3 280.332 -1.119 20 0 CAADHN C[C@H]1[C@@H]([NH2+][C@H]2CCNC2=O)CCN1C(=O)c1nc[n-]n1 ZINC001074976398 782814258 /nfs/dbraw/zinc/81/42/58/782814258.db2.gz QMCPABZBLQTTEZ-CIUDSAMLSA-N 0 3 278.316 -1.114 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CCn2cnnn2)[C@H]1C)C(N)=O ZINC001074989868 782814291 /nfs/dbraw/zinc/81/42/91/782814291.db2.gz FUZUEFLAIJNTJH-GUBZILKMSA-N 0 3 295.347 -1.484 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001074922405 782814373 /nfs/dbraw/zinc/81/43/73/782814373.db2.gz RIMZLOZSSFJXAW-FXQIFTODSA-N 0 3 297.315 -2.351 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001075028347 782814504 /nfs/dbraw/zinc/81/45/04/782814504.db2.gz HADQSEIBUAAAGX-VWYCJHECSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C)C(N)=O ZINC001075092057 782814637 /nfs/dbraw/zinc/81/46/37/782814637.db2.gz VXEYOUQNJFREFU-UTLUCORTSA-N 0 3 280.332 -1.269 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001098353105 782818307 /nfs/dbraw/zinc/81/83/07/782818307.db2.gz BGJMHYYHVAMVGN-MXWKQRLJSA-N 0 3 295.339 -1.151 20 0 CAADHN NC(=O)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001099226580 782818912 /nfs/dbraw/zinc/81/89/12/782818912.db2.gz AXJRMMPXDUWPRV-RNFRBKRXSA-N 0 3 283.250 -1.167 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@H]1CN([C@H]1CCNC1=O)C2 ZINC001099007038 782818958 /nfs/dbraw/zinc/81/89/58/782818958.db2.gz VRAAIDFEQMYGCX-RVBZMBCESA-N 0 3 280.328 -1.669 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@H]1CN([C@@H]1CCNC1=O)C2 ZINC001099007039 782819153 /nfs/dbraw/zinc/81/91/53/782819153.db2.gz VRAAIDFEQMYGCX-RWEMILLDSA-N 0 3 280.328 -1.669 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@H]1CN(CCCO)C2 ZINC001099008797 782819933 /nfs/dbraw/zinc/81/99/33/782819933.db2.gz NIJPDRWFJRLGFM-CABZTGNLSA-N 0 3 255.318 -1.175 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099631321 782824443 /nfs/dbraw/zinc/82/44/43/782824443.db2.gz VNTRCIUKACLRCE-GHMZBOCLSA-N 0 3 273.333 -1.680 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099636211 782824821 /nfs/dbraw/zinc/82/48/21/782824821.db2.gz LGOLWFHWPORGMG-NWDGAFQWSA-N 0 3 287.360 -1.290 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099651034 782824972 /nfs/dbraw/zinc/82/49/72/782824972.db2.gz OJECXDBBWRXKAL-BDAKNGLRSA-N 0 3 274.321 -2.148 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001099645155 782825210 /nfs/dbraw/zinc/82/52/10/782825210.db2.gz MZCOVBLCXIHSNA-WDEREUQCSA-N 0 3 298.347 -1.739 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099636212 782826445 /nfs/dbraw/zinc/82/64/45/782826445.db2.gz LGOLWFHWPORGMG-RYUDHWBXSA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(CCn1cncn1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099677728 782826980 /nfs/dbraw/zinc/82/69/80/782826980.db2.gz AIUGEZQSMDAHKM-NEPJUHHUSA-N 0 3 297.359 -1.398 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678375 782827972 /nfs/dbraw/zinc/82/79/72/782827972.db2.gz JURLXWLVHUBAMW-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099678377 782827976 /nfs/dbraw/zinc/82/79/76/782827976.db2.gz JURLXWLVHUBAMW-RYUDHWBXSA-N 0 3 297.359 -1.134 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001099665467 782828233 /nfs/dbraw/zinc/82/82/33/782828233.db2.gz HTYVKVGFBYZMIT-BDAKNGLRSA-N 0 3 276.312 -1.434 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099704526 782829435 /nfs/dbraw/zinc/82/94/35/782829435.db2.gz MKLAONWNGILDHL-NXEZZACHSA-N 0 3 289.332 -1.460 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760588 782834083 /nfs/dbraw/zinc/83/40/83/782834083.db2.gz KVRGMXBAMOKNGG-ZJUUUORDSA-N 0 3 273.333 -1.550 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758780 782834118 /nfs/dbraw/zinc/83/41/18/782834118.db2.gz XZEKAZNBXIYKKB-RKDXNWHRSA-N 0 3 259.306 -1.940 20 0 CAADHN COC(=O)NCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099707671 782830648 /nfs/dbraw/zinc/83/06/48/782830648.db2.gz VVSHWOMXVRKTFZ-UWVGGRQHSA-N 0 3 289.332 -1.724 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001099758121 782832298 /nfs/dbraw/zinc/83/22/98/782832298.db2.gz OPEYKRDERBNNRJ-RKDXNWHRSA-N 0 3 261.297 -1.227 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CCN(CCOC2CCC2)C[C@H]1O ZINC001099758317 782833092 /nfs/dbraw/zinc/83/30/92/782833092.db2.gz RAJAIECSZMXUOT-VXGBXAGGSA-N 0 3 299.371 -1.018 20 0 CAADHN COCCN1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099758778 782833548 /nfs/dbraw/zinc/83/35/48/782833548.db2.gz XZEKAZNBXIYKKB-DTWKUNHWSA-N 0 3 259.306 -1.940 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760585 782834879 /nfs/dbraw/zinc/83/48/79/782834879.db2.gz KVRGMXBAMOKNGG-NXEZZACHSA-N 0 3 273.333 -1.550 20 0 CAADHN CC(C)OCCN1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760832 782835646 /nfs/dbraw/zinc/83/56/46/782835646.db2.gz OTAIAMOFLZIORJ-WDEREUQCSA-N 0 3 287.360 -1.162 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099761912 782836036 /nfs/dbraw/zinc/83/60/36/782836036.db2.gz XBLATUZWKHACCU-RKDXNWHRSA-N 0 3 259.306 -2.204 20 0 CAADHN NC(=O)CC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099761911 782836116 /nfs/dbraw/zinc/83/61/16/782836116.db2.gz XBLATUZWKHACCU-IUCAKERBSA-N 0 3 259.306 -2.204 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760586 782836299 /nfs/dbraw/zinc/83/62/99/782836299.db2.gz KVRGMXBAMOKNGG-UWVGGRQHSA-N 0 3 273.333 -1.550 20 0 CAADHN O=C(CCc1ncc[nH]1)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001099810239 782837288 /nfs/dbraw/zinc/83/72/88/782837288.db2.gz PWFOYXMPBLFJKO-QWRGUYRKSA-N 0 3 282.344 -1.114 20 0 CAADHN CCNC(=O)CC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099797474 782837891 /nfs/dbraw/zinc/83/78/91/782837891.db2.gz UTOJEGCNBXIEEJ-QWRGUYRKSA-N 0 3 287.360 -1.554 20 0 CAADHN CCNC(=O)CC(=O)N[C@H]1CCN(CCOC)C[C@@H]1O ZINC001099796802 782838202 /nfs/dbraw/zinc/83/82/02/782838202.db2.gz JDXKYYXJYYXXDC-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099791739 782838600 /nfs/dbraw/zinc/83/86/00/782838600.db2.gz JZQCUOCCAJCYRI-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099792448 782838722 /nfs/dbraw/zinc/83/87/22/782838722.db2.gz VENVWQHESRKTHN-VHSXEESVSA-N 0 3 273.333 -1.944 20 0 CAADHN O=C(CCc1ncc[nH]1)N[C@H]1CCN(CCO)C[C@H]1O ZINC001099810240 782839187 /nfs/dbraw/zinc/83/91/87/782839187.db2.gz PWFOYXMPBLFJKO-WDEREUQCSA-N 0 3 282.344 -1.114 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001099844315 782839695 /nfs/dbraw/zinc/83/96/95/782839695.db2.gz FRNPGIZRGTUNCA-NWDGAFQWSA-N 0 3 297.359 -1.134 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001099839124 782839716 /nfs/dbraw/zinc/83/97/16/782839716.db2.gz YHGRSCPOUFOHPS-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001099844316 782839747 /nfs/dbraw/zinc/83/97/47/782839747.db2.gz FRNPGIZRGTUNCA-RYUDHWBXSA-N 0 3 297.359 -1.134 20 0 CAADHN CN(CC(=O)N[C@H]1CCN(CC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099880126 782841086 /nfs/dbraw/zinc/84/10/86/782841086.db2.gz VQGLXICPMHNGHI-RYUDHWBXSA-N 0 3 298.387 -1.493 20 0 CAADHN CCN1CC[C@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099864789 782842032 /nfs/dbraw/zinc/84/20/32/782842032.db2.gz VELNTRUBAFRVMD-DTWKUNHWSA-N 0 3 258.322 -1.513 20 0 CAADHN O=C(CCc1c[nH]cn1)N[C@H]1CCN(CCO)C[C@H]1O ZINC001099872485 782842137 /nfs/dbraw/zinc/84/21/37/782842137.db2.gz UZFWFDRJSXWFRB-NWDGAFQWSA-N 0 3 282.344 -1.114 20 0 CAADHN CCN1CC[C@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099864790 782842221 /nfs/dbraw/zinc/84/22/21/782842221.db2.gz VELNTRUBAFRVMD-IUCAKERBSA-N 0 3 258.322 -1.513 20 0 CAADHN O=C(CCn1ccnc1)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001099940347 782844569 /nfs/dbraw/zinc/84/45/69/782844569.db2.gz UAJOWRHPNLHKPU-RYUDHWBXSA-N 0 3 282.344 -1.183 20 0 CAADHN Cn1ccnc1CCC(=O)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001099928441 782845062 /nfs/dbraw/zinc/84/50/62/782845062.db2.gz KSBBAZDTFQYKHT-VXGBXAGGSA-N 0 3 296.371 -1.104 20 0 CAADHN COCCCN1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001099946177 782845244 /nfs/dbraw/zinc/84/52/44/782845244.db2.gz BLDCGIJCBHYFMB-VHSXEESVSA-N 0 3 298.347 -1.588 20 0 CAADHN CCCCOCCN1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973279 782845544 /nfs/dbraw/zinc/84/55/44/782845544.db2.gz APZLAWRKDIREJD-QWRGUYRKSA-N 0 3 287.360 -1.160 20 0 CAADHN CN(C)C(=O)CC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001100029182 782848335 /nfs/dbraw/zinc/84/83/35/782848335.db2.gz KEZKDJNDXDMBMZ-GHMZBOCLSA-N 0 3 287.360 -1.602 20 0 CAADHN COCCN1CC[C@H](NC(=O)CC(=O)N(C)C)[C@H](O)C1 ZINC001100030271 782849375 /nfs/dbraw/zinc/84/93/75/782849375.db2.gz WRPCYGUZBJLQAC-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN O=C(NCC1CC1)C(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001100055421 782849575 /nfs/dbraw/zinc/84/95/75/782849575.db2.gz CESNVSAEUMATMJ-NWDGAFQWSA-N 0 3 299.371 -1.554 20 0 CAADHN CN(C)C(=O)CC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001100029185 782849599 /nfs/dbraw/zinc/84/95/99/782849599.db2.gz KEZKDJNDXDMBMZ-WDEREUQCSA-N 0 3 287.360 -1.602 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100056100 782849811 /nfs/dbraw/zinc/84/98/11/782849811.db2.gz OTSCZXNPCDOYSQ-NEPJUHHUSA-N 0 3 299.371 -1.290 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CCN(CC(N)=O)C[C@H]1O ZINC001100048520 782849836 /nfs/dbraw/zinc/84/98/36/782849836.db2.gz MXVFEHVNYRQDFA-GHMZBOCLSA-N 0 3 286.376 -1.635 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001100082941 782850478 /nfs/dbraw/zinc/85/04/78/782850478.db2.gz KPJSEQMPRQNKRP-MNOVXSKESA-N 0 3 286.376 -1.635 20 0 CAADHN Cn1cncc1CCC(=O)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001100094540 782850805 /nfs/dbraw/zinc/85/08/05/782850805.db2.gz OEZAOQBFXGAAED-STQMWFEESA-N 0 3 296.371 -1.104 20 0 CAADHN CCN1CC[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001100058691 782851718 /nfs/dbraw/zinc/85/17/18/782851718.db2.gz YBRSXKLOUOMHBC-MNOVXSKESA-N 0 3 297.359 -1.097 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001100106221 782852031 /nfs/dbraw/zinc/85/20/31/782852031.db2.gz QUVQZSRMRPCTIL-ZJUUUORDSA-N 0 3 288.348 -2.021 20 0 CAADHN Cn1cncc1CCC(=O)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001100094538 782852235 /nfs/dbraw/zinc/85/22/35/782852235.db2.gz OEZAOQBFXGAAED-OLZOCXBDSA-N 0 3 296.371 -1.104 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100105123 782852351 /nfs/dbraw/zinc/85/23/51/782852351.db2.gz FIGLTBSPWQYFLJ-NXEZZACHSA-N 0 3 288.348 -1.757 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100143224 782852904 /nfs/dbraw/zinc/85/29/04/782852904.db2.gz QDINYAGRDQBBSB-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN CCOC(=O)N1CC[C@H](NC(CO)(CO)CO)C1 ZINC001256014228 782853428 /nfs/dbraw/zinc/85/34/28/782853428.db2.gz MNFKOBZFJUJGRQ-VIFPVBQESA-N 0 3 262.306 -1.478 20 0 CAADHN NC(=O)CCCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001100143058 782853715 /nfs/dbraw/zinc/85/37/15/782853715.db2.gz NHGCNJOIUOOUAZ-QWRGUYRKSA-N 0 3 287.360 -1.424 20 0 CAADHN CS(=O)(=O)CCNC1CC(CNC(=O)C(N)=O)C1 ZINC001100627254 782858894 /nfs/dbraw/zinc/85/88/94/782858894.db2.gz BIPMGCFXCOQVMQ-UHFFFAOYSA-N 0 3 277.346 -1.999 20 0 CAADHN CCn1nncc1CNC1CC(CNC(=O)C(N)=O)C1 ZINC001100627243 782859503 /nfs/dbraw/zinc/85/95/03/782859503.db2.gz AUINUYJRKZURFM-UHFFFAOYSA-N 0 3 280.332 -1.232 20 0 CAADHN CN(C)C(=O)C[NH2+]C1CC(CNC(=O)Cc2nnc[n-]2)C1 ZINC001100850289 782861560 /nfs/dbraw/zinc/86/15/60/782861560.db2.gz YTCPXTNMYPAKRD-UHFFFAOYSA-N 0 3 294.359 -1.080 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1C ZINC001101684341 782866731 /nfs/dbraw/zinc/86/67/31/782866731.db2.gz AVIGJOQZSJXRPL-JLLWLGSASA-N 0 3 296.371 -1.305 20 0 CAADHN CCNC(=O)C[NH2+]C1CC(CNC(=O)Cc2nnc[n-]2)C1 ZINC001100853554 782863273 /nfs/dbraw/zinc/86/32/73/782863273.db2.gz NMPXLXWNWLKSGJ-UHFFFAOYSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101715507 782866806 /nfs/dbraw/zinc/86/68/06/782866806.db2.gz ARWFQVGLJZFDPJ-OPRDCNLKSA-N 0 3 295.347 -1.769 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1C ZINC001101684342 782865593 /nfs/dbraw/zinc/86/55/93/782865593.db2.gz AVIGJOQZSJXRPL-YUSALJHKSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711020 782865621 /nfs/dbraw/zinc/86/56/21/782865621.db2.gz IUIMCVMRPHOBIW-IWSPIJDZSA-N 0 3 285.348 -1.787 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001101684908 782865926 /nfs/dbraw/zinc/86/59/26/782865926.db2.gz UDHBAPJNMAQMAM-ZYHUDNBSSA-N 0 3 298.387 -1.105 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101712406 782866110 /nfs/dbraw/zinc/86/61/10/782866110.db2.gz UQXKOVNEQWCRNO-OPRDCNLKSA-N 0 3 299.375 -1.527 20 0 CAADHN CNC(=O)CC(=O)NC[C@@H]1CN([C@H](C)C(=O)NC)C[C@H]1C ZINC001101909118 782867783 /nfs/dbraw/zinc/86/77/83/782867783.db2.gz AZTQLJDROCMJMS-GMTAPVOTSA-N 0 3 298.387 -1.059 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976573 782868153 /nfs/dbraw/zinc/86/81/53/782868153.db2.gz IJZNJEFXIVCNBR-KXUCPTDWSA-N 0 3 295.347 -1.769 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](C)C1 ZINC001102298149 782869281 /nfs/dbraw/zinc/86/92/81/782869281.db2.gz LCCGJYYCWGABLY-KXUCPTDWSA-N 0 3 296.371 -1.190 20 0 CAADHN C[C@@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102301084 782869603 /nfs/dbraw/zinc/86/96/03/782869603.db2.gz OZOTVMWVYBVHHO-KXUCPTDWSA-N 0 3 296.371 -1.177 20 0 CAADHN C[C@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306081 782869985 /nfs/dbraw/zinc/86/99/85/782869985.db2.gz FTXSFQOGSDGRLN-OPRDCNLKSA-N 0 3 284.360 -1.368 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306447 782870145 /nfs/dbraw/zinc/87/01/45/782870145.db2.gz UYAHGURRTIQEDZ-HLTSFMKQSA-N 0 3 270.333 -1.580 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306214 782870177 /nfs/dbraw/zinc/87/01/77/782870177.db2.gz LDCKJEPAAPBBNT-HRDYMLBCSA-N 0 3 270.333 -1.710 20 0 CAADHN C[C@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102300928 782870623 /nfs/dbraw/zinc/87/06/23/782870623.db2.gz IXLYEUCAQJUBFJ-BWZBUEFSSA-N 0 3 299.331 -2.261 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001102022503 782870720 /nfs/dbraw/zinc/87/07/20/782870720.db2.gz AQWUFKNWLJIMIO-OPRDCNLKSA-N 0 3 299.375 -1.527 20 0 CAADHN C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C(N)=O ZINC001102306420 782870755 /nfs/dbraw/zinc/87/07/55/782870755.db2.gz SZDOAJKSCPGZHB-BBBLOLIVSA-N 0 3 282.344 -1.614 20 0 CAADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)C(N)=O ZINC001102304538 782870787 /nfs/dbraw/zinc/87/07/87/782870787.db2.gz LFLXFLXRFFVKGK-RKDXNWHRSA-N 0 3 270.333 -1.756 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1COC(=O)N1 ZINC001102936994 782871858 /nfs/dbraw/zinc/87/18/58/782871858.db2.gz QDJDGOTUNOCROA-BBBLOLIVSA-N 0 3 298.343 -1.346 20 0 CAADHN CNC(=O)CC(=O)NCC[C@@H]1CN(CC(=O)NC)C[C@H]1C ZINC001102898505 782872208 /nfs/dbraw/zinc/87/22/08/782872208.db2.gz TWVBDZOBDBNGRM-GHMZBOCLSA-N 0 3 298.387 -1.057 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1cnnn1C ZINC001102934020 782872398 /nfs/dbraw/zinc/87/23/98/782872398.db2.gz CEKRELJANIGNRZ-NXEZZACHSA-N 0 3 294.359 -1.012 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](C)C1 ZINC001102561421 782872658 /nfs/dbraw/zinc/87/26/58/782872658.db2.gz FKLJKBKOSDHRIX-OPRDCNLKSA-N 0 3 299.375 -1.397 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001102905229 782872793 /nfs/dbraw/zinc/87/27/93/782872793.db2.gz SBMLQNABFSZKMW-KXUCPTDWSA-N 0 3 299.375 -1.397 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)Cn1cncn1 ZINC001103702006 782873728 /nfs/dbraw/zinc/87/37/28/782873728.db2.gz OAVIHORYHQVANY-GHMZBOCLSA-N 0 3 294.359 -1.162 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001103381698 782873957 /nfs/dbraw/zinc/87/39/57/782873957.db2.gz OYSZVVOKUXSTOL-BBBLOLIVSA-N 0 3 297.359 -1.773 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1nnn(C)n1 ZINC001103335711 782874017 /nfs/dbraw/zinc/87/40/17/782874017.db2.gz NPFOCPJZIHNNTD-RKDXNWHRSA-N 0 3 295.347 -1.617 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C(N)=O ZINC001103389103 782874225 /nfs/dbraw/zinc/87/42/25/782874225.db2.gz FBIYCXUDUCMVDS-HTQZYQBOSA-N 0 3 256.306 -1.969 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1cnn(C)n1 ZINC001103531468 782874262 /nfs/dbraw/zinc/87/42/62/782874262.db2.gz WPSVXGVJDWVFNG-NXEZZACHSA-N 0 3 294.359 -1.012 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C1(C(N)=O)CC1 ZINC001103388366 782874740 /nfs/dbraw/zinc/87/47/40/782874740.db2.gz QNPVCPDWTWXIOZ-NXEZZACHSA-N 0 3 296.371 -1.189 20 0 CAADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CCNC(=O)C(N)=O ZINC001103391804 782875024 /nfs/dbraw/zinc/87/50/24/782875024.db2.gz XIANKYDUBTVKFT-NXEZZACHSA-N 0 3 296.371 -1.176 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114978467 782877275 /nfs/dbraw/zinc/87/72/75/782877275.db2.gz UVYLUKPOGSWAED-URLYPYJESA-N 0 3 269.345 -1.060 20 0 CAADHN CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC001115098799 782879328 /nfs/dbraw/zinc/87/93/28/782879328.db2.gz OJIVKCUYSSHGQH-WOFXILAISA-N 0 3 292.343 -1.470 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001115141553 782879463 /nfs/dbraw/zinc/87/94/63/782879463.db2.gz BIZMDDZXOBWUEP-SRRSOLGSSA-N 0 3 297.355 -1.680 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001115159157 782879551 /nfs/dbraw/zinc/87/95/51/782879551.db2.gz FKIIIYFTRVKSBE-IWIIMEHWSA-N 0 3 268.361 -1.140 20 0 CAADHN O=C(CNC(=O)C1CCC1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115296727 782881777 /nfs/dbraw/zinc/88/17/77/782881777.db2.gz YHQOQVBMOUDXLN-PJXYFTJBSA-N 0 3 281.356 -1.059 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)C(N)=O)CCCCC1 ZINC001115702445 782882754 /nfs/dbraw/zinc/88/27/54/782882754.db2.gz YDYACKNLZMQRSO-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN NC(=O)CNC1(CNC(=O)C(N)=O)CCCCC1 ZINC001115705265 782882968 /nfs/dbraw/zinc/88/29/68/782882968.db2.gz VUAKDAWIOXOZCK-UHFFFAOYSA-N 0 3 256.306 -1.634 20 0 CAADHN C[C@@H](C(=O)NC[C@H]1CN(C)CCN1C)N1CCN(C)CC1 ZINC001116046366 782885720 /nfs/dbraw/zinc/88/57/20/782885720.db2.gz GHQINSOVTZVGJQ-KBPBESRZSA-N 0 3 297.447 -1.016 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N(C)CCN(C)C)C(N)=O ZINC001116239268 782890231 /nfs/dbraw/zinc/89/02/31/782890231.db2.gz LFEASJKBRVGCNS-VIFPVBQESA-N 0 3 258.322 -1.614 20 0 CAADHN CCN1CCN(CCC(=O)NN2CC(=O)N(C)C2=O)CC1 ZINC001116501908 782900212 /nfs/dbraw/zinc/90/02/12/782900212.db2.gz JQTKSZQBYXKCRR-UHFFFAOYSA-N 0 3 297.359 -1.061 20 0 CAADHN Cn1cc([C@@H](CO)NCCCN2C(=O)CNC2=O)cn1 ZINC001116671081 782906113 /nfs/dbraw/zinc/90/61/13/782906113.db2.gz XWJCJWABWYCNRP-SNVBAGLBSA-N 0 3 281.316 -1.015 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)Cn1cnnn1 ZINC001266255511 775101649 /nfs/dbraw/zinc/10/16/49/775101649.db2.gz ULIYLPROWOZLHM-VIFPVBQESA-N 0 3 256.310 -1.244 20 0 CAADHN NC(C(=O)N[C@H]1CCC(=O)NC1=O)C(F)(F)F ZINC000705245894 775104395 /nfs/dbraw/zinc/10/43/95/775104395.db2.gz XUGUCNQPZZMWMA-UCORVYFPSA-N 0 3 253.180 -1.203 20 0 CAADHN Cn1cncc1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969223537 775105052 /nfs/dbraw/zinc/10/50/52/775105052.db2.gz VDNKVBYYWMBCFB-MRVPVSSYSA-N 0 3 251.290 -1.291 20 0 CAADHN NC(C(=O)N[C@H]1CCC(=O)NC1=O)C(F)(F)F ZINC000705245955 775105915 /nfs/dbraw/zinc/10/59/15/775105915.db2.gz XUGUCNQPZZMWMA-WVZVXSGGSA-N 0 3 253.180 -1.203 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCC(=O)NC1)CCOCCO ZINC001266290978 775106882 /nfs/dbraw/zinc/10/68/82/775106882.db2.gz QVHYKGUCKSLYFX-LLVKDONJSA-N 0 3 287.360 -1.431 20 0 CAADHN NC(=O)[C@H]1CN(c2cc3c(nn2)CCNC3)CCO1 ZINC001167075184 775108209 /nfs/dbraw/zinc/10/82/09/775108209.db2.gz QZQSUTBRIIVIEY-SNVBAGLBSA-N 0 3 263.301 -1.187 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cccc(=O)[nH]1 ZINC001125297244 775108321 /nfs/dbraw/zinc/10/83/21/775108321.db2.gz RELVBEIXFYWFTB-UHFFFAOYSA-N 0 3 281.272 -1.699 20 0 CAADHN C[C@H](NCCNC(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001125295838 775108573 /nfs/dbraw/zinc/10/85/73/775108573.db2.gz DLWVYZCHWDTBCT-ZETCQYMHSA-N 0 3 252.274 -1.020 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cccc(=O)[nH]1 ZINC001125296554 775109142 /nfs/dbraw/zinc/10/91/42/775109142.db2.gz LGPHUHLAFUONLV-UHFFFAOYSA-N 0 3 295.299 -1.438 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cccc(=O)[nH]1 ZINC001125297130 775109314 /nfs/dbraw/zinc/10/93/14/775109314.db2.gz PDMWRABHXGBMCH-QMMMGPOBSA-N 0 3 292.295 -1.088 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CCN1C(=O)CCC1=O ZINC001266295564 775110331 /nfs/dbraw/zinc/11/03/31/775110331.db2.gz PTIAKAYTXZURJE-JTQLQIEISA-N 0 3 285.344 -1.046 20 0 CAADHN O=C(CCn1cncn1)N[C@H]1CCN(CCO)C1 ZINC001266302440 775110845 /nfs/dbraw/zinc/11/08/45/775110845.db2.gz PMTDEZJCPURQJO-JTQLQIEISA-N 0 3 253.306 -1.149 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCNC1=O ZINC001266308855 775111972 /nfs/dbraw/zinc/11/19/72/775111972.db2.gz GEILVLNZDIOUOG-VHSXEESVSA-N 0 3 273.333 -1.822 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CCNC1=O ZINC001266308854 775112866 /nfs/dbraw/zinc/11/28/66/775112866.db2.gz GEILVLNZDIOUOG-UWVGGRQHSA-N 0 3 273.333 -1.822 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1CCNC1=O ZINC001266308856 775112906 /nfs/dbraw/zinc/11/29/06/775112906.db2.gz GEILVLNZDIOUOG-ZJUUUORDSA-N 0 3 273.333 -1.822 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001266326792 775116116 /nfs/dbraw/zinc/11/61/16/775116116.db2.gz LTPNYTOTQKPJRL-GWCFXTLKSA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@H](CNC(=O)c1ncn[nH]1)N(C)[C@@H](C)C(N)=O ZINC001282466760 775117595 /nfs/dbraw/zinc/11/75/95/775117595.db2.gz DGCVWIBFIBXGDS-RQJHMYQMSA-N 0 3 254.294 -1.271 20 0 CAADHN C[C@H](CNC(=O)c1nc[nH]n1)N(C)[C@@H](C)C(N)=O ZINC001282466760 775117599 /nfs/dbraw/zinc/11/75/99/775117599.db2.gz DGCVWIBFIBXGDS-RQJHMYQMSA-N 0 3 254.294 -1.271 20 0 CAADHN C[C@H](C(N)=O)N(C)[C@@H](C)CNC(=O)c1ncn[nH]1 ZINC001282466758 775117801 /nfs/dbraw/zinc/11/78/01/775117801.db2.gz DGCVWIBFIBXGDS-NKWVEPMBSA-N 0 3 254.294 -1.271 20 0 CAADHN C[C@H](C(N)=O)N(C)[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC001282466758 775117804 /nfs/dbraw/zinc/11/78/04/775117804.db2.gz DGCVWIBFIBXGDS-NKWVEPMBSA-N 0 3 254.294 -1.271 20 0 CAADHN C[C@H](C(N)=O)N(C)CCNC(=O)Cc1cnc[nH]1 ZINC001266330102 775117915 /nfs/dbraw/zinc/11/79/15/775117915.db2.gz SQWMLIGIBBXGBW-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN CN(CCNC(=O)c1ncn[nH]1)[C@@H]1CCN(C)C1=O ZINC001266339953 775118747 /nfs/dbraw/zinc/11/87/47/775118747.db2.gz CFMFIVMURWXOQO-MRVPVSSYSA-N 0 3 266.305 -1.303 20 0 CAADHN CN(CCNC(=O)c1nc[nH]n1)[C@@H]1CCN(C)C1=O ZINC001266339953 775118751 /nfs/dbraw/zinc/11/87/51/775118751.db2.gz CFMFIVMURWXOQO-MRVPVSSYSA-N 0 3 266.305 -1.303 20 0 CAADHN CN(C)S(=O)(=O)CCNC(=O)C(N)C(F)(F)F ZINC000705544492 775119169 /nfs/dbraw/zinc/11/91/69/775119169.db2.gz DBAFBMWEMNPUSN-RXMQYKEDSA-N 0 3 277.268 -1.116 20 0 CAADHN O=C(CCn1cnnn1)N[C@@H]1CCN(CCO)C1 ZINC001266350866 775120736 /nfs/dbraw/zinc/12/07/36/775120736.db2.gz YNTKDSOLMYCUOX-SECBINFHSA-N 0 3 254.294 -1.754 20 0 CAADHN O=C(CCn1cnnn1)N[C@H]1CCN(CCO)C1 ZINC001266350867 775121068 /nfs/dbraw/zinc/12/10/68/775121068.db2.gz YNTKDSOLMYCUOX-VIFPVBQESA-N 0 3 254.294 -1.754 20 0 CAADHN CNC(=O)NC1CCN(S(=O)(=O)CCN)CC1 ZINC000396886058 775122986 /nfs/dbraw/zinc/12/29/86/775122986.db2.gz RXZROHCNBBOPDY-UHFFFAOYSA-N 0 3 264.351 -1.332 20 0 CAADHN COCCN1CC[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001266359593 775123197 /nfs/dbraw/zinc/12/31/97/775123197.db2.gz YYGNYILUCOTOGI-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN NCCS(=O)(=O)N1CCC(NC(N)=O)CC1 ZINC000396885265 775123522 /nfs/dbraw/zinc/12/35/22/775123522.db2.gz RFAOFKFDJVXZOY-UHFFFAOYSA-N 0 3 250.324 -1.592 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)CN1C(=O)CNC1=O ZINC001266357407 775124058 /nfs/dbraw/zinc/12/40/58/775124058.db2.gz XBRIIOGKNODLNR-VIFPVBQESA-N 0 3 286.332 -1.379 20 0 CAADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CC[C@@H](O)C2)O1 ZINC001209268137 775125734 /nfs/dbraw/zinc/12/57/34/775125734.db2.gz AFKWYVRMPNXCDN-CHWFTXMASA-N 0 3 261.318 -1.074 20 0 CAADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2C[C@@H](O)[C@H](CO)C2)O1 ZINC001209271964 775126524 /nfs/dbraw/zinc/12/65/24/775126524.db2.gz ZUGYEIYRSFYMRR-MTVMDMGHSA-N 0 3 291.344 -1.855 20 0 CAADHN C[C@H](N[C@H](CNC(=O)CC(N)=O)C1CC1)C(N)=O ZINC001266400857 775128020 /nfs/dbraw/zinc/12/80/20/775128020.db2.gz DNKYOCATZQVPQK-POYBYMJQSA-N 0 3 256.306 -1.780 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)CC(N)=O)C1CC1)C(N)=O ZINC001266400858 775128726 /nfs/dbraw/zinc/12/87/26/775128726.db2.gz DNKYOCATZQVPQK-SVRRBLITSA-N 0 3 256.306 -1.780 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)C1CC1 ZINC001266427413 775129444 /nfs/dbraw/zinc/12/94/44/775129444.db2.gz YKXWHQUPGMEYSO-WDEREUQCSA-N 0 3 296.371 -1.305 20 0 CAADHN CN(CC1CC1)C(=O)CN[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001266426214 775129531 /nfs/dbraw/zinc/12/95/31/775129531.db2.gz HZWLMKMVWVOTNV-NSHDSACASA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)C1CC1 ZINC001266427412 775129657 /nfs/dbraw/zinc/12/96/57/775129657.db2.gz YKXWHQUPGMEYSO-QWRGUYRKSA-N 0 3 296.371 -1.305 20 0 CAADHN CCN(CCNC(=O)C(N)=O)CCc1cnn(C)c1 ZINC001266413430 775129853 /nfs/dbraw/zinc/12/98/53/775129853.db2.gz MYMUYHRBMSPZCZ-UHFFFAOYSA-N 0 3 267.333 -1.114 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H](COC)OC)C1 ZINC001209543426 775129925 /nfs/dbraw/zinc/12/99/25/775129925.db2.gz MGPVYFATAHNGML-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)C(=O)NC[C@H](NCC(=O)N1CCC1)C1CC1 ZINC001266426195 775130312 /nfs/dbraw/zinc/13/03/12/775130312.db2.gz HPSSOFSXJMZYEI-VIFPVBQESA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1CC1 ZINC001125333522 775132570 /nfs/dbraw/zinc/13/25/70/775132570.db2.gz AZABGWDGSFKXJB-ZETCQYMHSA-N 0 3 256.306 -1.067 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1CC1 ZINC001125333521 775132624 /nfs/dbraw/zinc/13/26/24/775132624.db2.gz AZABGWDGSFKXJB-SSDOTTSWSA-N 0 3 256.306 -1.067 20 0 CAADHN NCc1cc(N2CCN3C(=O)COC[C@@H]3C2)ncn1 ZINC001167228960 775132809 /nfs/dbraw/zinc/13/28/09/775132809.db2.gz PBTJIRJFRNHOOG-JTQLQIEISA-N 0 3 263.301 -1.017 20 0 CAADHN NC(=O)CC(=O)NC[C@@H]1CCN(CCN2CCNC2=O)C1 ZINC001266506371 775136471 /nfs/dbraw/zinc/13/64/71/775136471.db2.gz VUXORQVCZFOMKB-JTQLQIEISA-N 0 3 297.359 -1.675 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001266504393 775136857 /nfs/dbraw/zinc/13/68/57/775136857.db2.gz AXQLMAVYMJFSQJ-APPZFPTMSA-N 0 3 256.306 -1.813 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001266504475 775137483 /nfs/dbraw/zinc/13/74/83/775137483.db2.gz DMMQNRXFBBVHID-UWVGGRQHSA-N 0 3 296.327 -1.882 20 0 CAADHN NC(=O)CC(=O)NC[C@H]1CCN(CCN2CCNC2=O)C1 ZINC001266506372 775137498 /nfs/dbraw/zinc/13/74/98/775137498.db2.gz VUXORQVCZFOMKB-SNVBAGLBSA-N 0 3 297.359 -1.675 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)COCCOC)C1 ZINC001266517240 775138881 /nfs/dbraw/zinc/13/88/81/775138881.db2.gz QHNLDROQUWPXOI-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001266516768 775138900 /nfs/dbraw/zinc/13/89/00/775138900.db2.gz HLZHBZDTFAGMAJ-VIFPVBQESA-N 0 3 268.317 -1.669 20 0 CAADHN CS(=O)(=O)NCCN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001266517008 775139372 /nfs/dbraw/zinc/13/93/72/775139372.db2.gz LTMUJHCAPPLOOV-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN COCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001206980412 775139406 /nfs/dbraw/zinc/13/94/06/775139406.db2.gz BFBPWAGZJTZSCO-MRVPVSSYSA-N 0 3 272.305 -1.592 20 0 CAADHN COCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001206982463 775139467 /nfs/dbraw/zinc/13/94/67/775139467.db2.gz PCJJPMKPDHJTEU-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)COC)C1 ZINC001206981121 775139508 /nfs/dbraw/zinc/13/95/08/775139508.db2.gz YSAQUHAVSJQCOS-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001266517507 775139736 /nfs/dbraw/zinc/13/97/36/775139736.db2.gz VJECOWALCLSVHQ-SFYZADRCSA-N 0 3 256.306 -1.813 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266527693 775140532 /nfs/dbraw/zinc/14/05/32/775140532.db2.gz BMLQQNQLCDCILK-YUMQZZPRSA-N 0 3 256.306 -1.826 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266527691 775140832 /nfs/dbraw/zinc/14/08/32/775140832.db2.gz BMLQQNQLCDCILK-JGVFFNPUSA-N 0 3 256.306 -1.826 20 0 CAADHN COCCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001207003878 775141515 /nfs/dbraw/zinc/14/15/15/775141515.db2.gz JHLYKCVWJATHRQ-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001266545041 775143027 /nfs/dbraw/zinc/14/30/27/775143027.db2.gz CYIQJSROVWLSNH-VIFPVBQESA-N 0 3 282.344 -1.469 20 0 CAADHN CC[C@@H]([NH2+]CCNC(=O)CCc1nnc[n-]1)C(N)=O ZINC001125414549 775143797 /nfs/dbraw/zinc/14/37/97/775143797.db2.gz TZZKNVUCSFIJSO-MRVPVSSYSA-N 0 3 268.321 -1.293 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001266549875 775144518 /nfs/dbraw/zinc/14/45/18/775144518.db2.gz LQASCCJOQWKAHL-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN Cn1nncc1CNCCNC(=O)CCc1nnc[nH]1 ZINC001125420180 775147493 /nfs/dbraw/zinc/14/74/93/775147493.db2.gz ZBFUHMAQNPSZBM-UHFFFAOYSA-N 0 3 278.320 -1.228 20 0 CAADHN O=C(NCCN(CCO)C1CC1)[C@@H]1CNC(=O)N1 ZINC001266607145 775151375 /nfs/dbraw/zinc/15/13/75/775151375.db2.gz PFJMZMBVNIBUHI-VIFPVBQESA-N 0 3 256.306 -1.759 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCN(CCO)C1CC1 ZINC001266611572 775152582 /nfs/dbraw/zinc/15/25/82/775152582.db2.gz OMIABZPMFSARMO-ZJUUUORDSA-N 0 3 255.318 -1.319 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCNCC(=O)N(C)C ZINC001266644787 775157341 /nfs/dbraw/zinc/15/73/41/775157341.db2.gz QIQFWQDHWSFDOQ-UHFFFAOYSA-N 0 3 272.349 -1.399 20 0 CAADHN COCC(=O)N(C)CCNCC(=O)NC[C@H]1CCOC1 ZINC001266624217 775154416 /nfs/dbraw/zinc/15/44/16/775154416.db2.gz VGLLMBWODAWBFY-LLVKDONJSA-N 0 3 287.360 -1.167 20 0 CAADHN CCC(=O)N(C)CCNCCNS(C)(=O)=O ZINC001266624272 775155516 /nfs/dbraw/zinc/15/55/16/775155516.db2.gz XMQWTWXOYNASGE-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN CCN1CCC[C@@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001279462225 775155502 /nfs/dbraw/zinc/15/55/02/775155502.db2.gz PGPDJLHLFDFXOP-LLVKDONJSA-N 0 3 268.321 -1.364 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001266627193 775155526 /nfs/dbraw/zinc/15/55/26/775155526.db2.gz NWJJPAQPRDDJFQ-VIFPVBQESA-N 0 3 284.316 -2.024 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CC[C@@H]1CCOC1 ZINC001125471799 775156471 /nfs/dbraw/zinc/15/64/71/775156471.db2.gz CFSFXJWXHYDYTF-SECBINFHSA-N 0 3 286.332 -1.296 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001266636873 775156499 /nfs/dbraw/zinc/15/64/99/775156499.db2.gz SWAXRIJKYJXWRM-QMMMGPOBSA-N 0 3 267.293 -2.390 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1ccnn1C ZINC001266654597 775156526 /nfs/dbraw/zinc/15/65/26/775156526.db2.gz HKXLZRICMFRNTF-UHFFFAOYSA-N 0 3 253.306 -1.172 20 0 CAADHN CN(CCNCC(=O)N1CCOCC1)C(=O)c1cn[nH]c1 ZINC001266648607 775156683 /nfs/dbraw/zinc/15/66/83/775156683.db2.gz GGUBCNJLNHRSTH-UHFFFAOYSA-N 0 3 295.343 -1.070 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)[C@@H]1CCOC1 ZINC001266654701 775156712 /nfs/dbraw/zinc/15/67/12/775156712.db2.gz JJRSGQUWJGBSKR-SECBINFHSA-N 0 3 286.332 -1.474 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)C[C@H]1CCCO1 ZINC001266646836 775156784 /nfs/dbraw/zinc/15/67/84/775156784.db2.gz QAIPHJQRIIADRY-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN COCCCC(=O)N(C)CCNCC(=O)NC(N)=O ZINC001266648501 775156872 /nfs/dbraw/zinc/15/68/72/775156872.db2.gz CBMHIZJNCRPYTF-UHFFFAOYSA-N 0 3 274.321 -1.344 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001266636872 775156938 /nfs/dbraw/zinc/15/69/38/775156938.db2.gz SWAXRIJKYJXWRM-MRVPVSSYSA-N 0 3 267.293 -2.390 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)C[C@@H]1CCCO1 ZINC001266646837 775157113 /nfs/dbraw/zinc/15/71/13/775157113.db2.gz QAIPHJQRIIADRY-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN CO[C@@H](C)C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001266650968 775157148 /nfs/dbraw/zinc/15/71/48/775157148.db2.gz NSACYXLEDNLMGA-ZETCQYMHSA-N 0 3 260.294 -1.736 20 0 CAADHN Cc1cc(C(=O)N(C)CCNCC(N)=O)n(C)n1 ZINC001266650979 775157215 /nfs/dbraw/zinc/15/72/15/775157215.db2.gz OFHUPTDFGITKOH-UHFFFAOYSA-N 0 3 253.306 -1.125 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cc[nH]n1 ZINC001266646377 775157306 /nfs/dbraw/zinc/15/73/06/775157306.db2.gz CPNODBYRMWSIQR-QMMMGPOBSA-N 0 3 251.290 -1.040 20 0 CAADHN CCOCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001207143180 775158330 /nfs/dbraw/zinc/15/83/30/775158330.db2.gz KOJWNLHNVBYZRV-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)[C@H](C)COC ZINC001266656869 775158905 /nfs/dbraw/zinc/15/89/05/775158905.db2.gz GRGIQZYLBJKRCO-SECBINFHSA-N 0 3 288.348 -1.228 20 0 CAADHN CCOCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001207143181 775159194 /nfs/dbraw/zinc/15/91/94/775159194.db2.gz KOJWNLHNVBYZRV-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)[C@H]1CCOC1 ZINC001266654702 775159211 /nfs/dbraw/zinc/15/92/11/775159211.db2.gz JJRSGQUWJGBSKR-VIFPVBQESA-N 0 3 286.332 -1.474 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1ccn(C)c1 ZINC001266675220 775160022 /nfs/dbraw/zinc/16/00/22/775160022.db2.gz LMCLBIYMUKTHNC-UHFFFAOYSA-N 0 3 281.316 -1.118 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cn(C)cn1 ZINC001266674767 775160249 /nfs/dbraw/zinc/16/02/49/775160249.db2.gz BZPWOVDEQKZJJR-VIFPVBQESA-N 0 3 265.317 -1.030 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cn(C)cn1 ZINC001266674766 775160733 /nfs/dbraw/zinc/16/07/33/775160733.db2.gz BZPWOVDEQKZJJR-SECBINFHSA-N 0 3 265.317 -1.030 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1cnnn1C ZINC001266688707 775161402 /nfs/dbraw/zinc/16/14/02/775161402.db2.gz DLIOXWMUMMKAOF-UHFFFAOYSA-N 0 3 297.319 -2.068 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)c1cn(C)nn1 ZINC001266689783 775161874 /nfs/dbraw/zinc/16/18/74/775161874.db2.gz DWLXFJIOMNPAJE-UHFFFAOYSA-N 0 3 280.332 -1.245 20 0 CAADHN CCn1ncc(C(=O)N(C)CCN[C@@H](C)C(N)=O)n1 ZINC001266689722 775161933 /nfs/dbraw/zinc/16/19/33/775161933.db2.gz AUUZPIYNERMEIH-QMMMGPOBSA-N 0 3 268.321 -1.167 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCNCC(=O)NC2CC2)C1 ZINC001266683984 775161964 /nfs/dbraw/zinc/16/19/64/775161964.db2.gz AAPGMCPJRXEYLX-UHFFFAOYSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001266682461 775162410 /nfs/dbraw/zinc/16/24/10/775162410.db2.gz XZKJKLAYFHRFBC-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCn1ccnn1)C(N)=O ZINC001266684646 775162422 /nfs/dbraw/zinc/16/24/22/775162422.db2.gz ZQWVFFYTSJZBLW-VIFPVBQESA-N 0 3 268.321 -1.410 20 0 CAADHN C[C@H](CC(=O)N(C)CCNCC(=O)NC1CC1)NC(N)=O ZINC001266699480 775163490 /nfs/dbraw/zinc/16/34/90/775163490.db2.gz HQDYDEGCSXZUSR-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(C)N(C)C(=O)CNCCN(C)C(=O)Cn1ncnn1 ZINC001266701804 775164163 /nfs/dbraw/zinc/16/41/63/775164163.db2.gz FXISMTPUECVABY-UHFFFAOYSA-N 0 3 297.363 -1.412 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cn1ncnn1 ZINC001266702140 775164287 /nfs/dbraw/zinc/16/42/87/775164287.db2.gz PWYYUVZKQUFXJF-UHFFFAOYSA-N 0 3 255.282 -2.533 20 0 CAADHN CN(C)C1(C(=O)NCCNC(=O)[C@@H]2CCNC2=O)CCC1 ZINC001283065875 775165366 /nfs/dbraw/zinc/16/53/66/775165366.db2.gz PJEWNGAFEAFXSZ-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCNCC(=O)NC(C)C ZINC001266718458 775165448 /nfs/dbraw/zinc/16/54/48/775165448.db2.gz QETSDKWZVHSCRS-UHFFFAOYSA-N 0 3 287.364 -1.512 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1CC(F)(F)C1 ZINC001125489370 775165686 /nfs/dbraw/zinc/16/56/86/775165686.db2.gz OFNHCPLVEIFSAI-UHFFFAOYSA-N 0 3 278.259 -1.068 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CN1CCOCC1=O ZINC001266726160 775166339 /nfs/dbraw/zinc/16/63/39/775166339.db2.gz JCVIESPFIZEFFF-UHFFFAOYSA-N 0 3 272.305 -2.622 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001207178146 775167244 /nfs/dbraw/zinc/16/72/44/775167244.db2.gz NQJNZYXATGGGLK-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)C[C@H]1CCNC1=O ZINC001266724170 775167252 /nfs/dbraw/zinc/16/72/52/775167252.db2.gz GTSLYZSQFYHKJP-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@@H]1C[C@@H](C(=O)N(C)CCNCC(=O)NC(N)=O)CO1 ZINC001266748346 775167919 /nfs/dbraw/zinc/16/79/19/775167919.db2.gz CHVBFGASXARWSN-RKDXNWHRSA-N 0 3 286.332 -1.346 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207192435 775168958 /nfs/dbraw/zinc/16/89/58/775168958.db2.gz QXYYOEHVMUXMHP-SCZZXKLOSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207192434 775168982 /nfs/dbraw/zinc/16/89/82/775168982.db2.gz QXYYOEHVMUXMHP-PSASIEDQSA-N 0 3 270.333 -1.423 20 0 CAADHN Cc1nnccc1C(=O)N(C)CCNCC(N)=O ZINC001266761899 775169041 /nfs/dbraw/zinc/16/90/41/775169041.db2.gz UDMCOCAWDWFKDC-UHFFFAOYSA-N 0 3 251.290 -1.068 20 0 CAADHN CN(CCCO)CCNC(=O)[C@@H]1CCCNC1=O ZINC001267201026 775213721 /nfs/dbraw/zinc/21/37/21/775213721.db2.gz UYRNDDAPKUCRPA-SNVBAGLBSA-N 0 3 257.334 -1.057 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001266784944 775172094 /nfs/dbraw/zinc/17/20/94/775172094.db2.gz AUEKSJSCMXQJRU-VIFPVBQESA-N 0 3 294.315 -2.101 20 0 CAADHN O[C@H](COC[C@@H]1CCCO1)CN1C[C@H](O)[C@@H](O)C1 ZINC000625712247 775172160 /nfs/dbraw/zinc/17/21/60/775172160.db2.gz SKWLBSUUFMVDFA-BJDJZHNGSA-N 0 3 261.318 -1.420 20 0 CAADHN CN(CCNCC(=O)N(C)C1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001266821850 775174490 /nfs/dbraw/zinc/17/44/90/775174490.db2.gz AITIUMXMNABZBK-JTQLQIEISA-N 0 3 297.359 -1.663 20 0 CAADHN CCC(=O)NCCNCCN(C)S(C)(=O)=O ZINC000707248438 775174661 /nfs/dbraw/zinc/17/46/61/775174661.db2.gz XUPXHCLSXFGCHG-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN CN(CCNCC(=O)N(C)C1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001266821851 775175092 /nfs/dbraw/zinc/17/50/92/775175092.db2.gz AITIUMXMNABZBK-SNVBAGLBSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001266822269 775175263 /nfs/dbraw/zinc/17/52/63/775175263.db2.gz RWTXLRBQMQMRLK-NKWVEPMBSA-N 0 3 257.294 -2.410 20 0 CAADHN CCN(C)C(=O)CNCCN(C)C(=O)C1(C(N)=O)CC1 ZINC001266822010 775175358 /nfs/dbraw/zinc/17/53/58/775175358.db2.gz IQEAEANXFOIBKW-UHFFFAOYSA-N 0 3 284.360 -1.222 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001207221938 775176367 /nfs/dbraw/zinc/17/63/67/775176367.db2.gz MLCDVJIHIYOWKH-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H]1CCCCN1CCO ZINC001266842212 775176569 /nfs/dbraw/zinc/17/65/69/775176569.db2.gz JDRAQNFIABIULB-SNVBAGLBSA-N 0 3 268.321 -1.364 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001207221762 775176630 /nfs/dbraw/zinc/17/66/30/775176630.db2.gz KVTIGKDGNXMMFZ-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CC(C)CNC(=O)CNCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001266836463 775177027 /nfs/dbraw/zinc/17/70/27/775177027.db2.gz SKSQDRPKPYKXOK-MNOVXSKESA-N 0 3 298.387 -1.072 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001266834598 775177153 /nfs/dbraw/zinc/17/71/53/775177153.db2.gz VTECAXPYOCUXTE-LBPRGKRZSA-N 0 3 270.333 -1.693 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001266848225 775177465 /nfs/dbraw/zinc/17/74/65/775177465.db2.gz OMLLOULTPXENOT-ZETCQYMHSA-N 0 3 285.304 -2.622 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@H]2CCNC2=O)n[nH]1 ZINC001125546293 775179820 /nfs/dbraw/zinc/17/98/20/775179820.db2.gz BJAFHWABHFFBMH-JTQLQIEISA-N 0 3 265.317 -1.145 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@H]2CCNC2=O)[nH]n1 ZINC001125546293 775179828 /nfs/dbraw/zinc/17/98/28/775179828.db2.gz BJAFHWABHFFBMH-JTQLQIEISA-N 0 3 265.317 -1.145 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@H]2CCC(=O)NC2=O)n[nH]1 ZINC001125546999 775180415 /nfs/dbraw/zinc/18/04/15/775180415.db2.gz QSUDPUUPRPBZJT-JTQLQIEISA-N 0 3 293.327 -1.228 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)CCNCC(=O)NC(N)=O)n1 ZINC001266869717 775180507 /nfs/dbraw/zinc/18/05/07/775180507.db2.gz DJQCVIFFYXDMNI-UHFFFAOYSA-N 0 3 282.304 -1.425 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1ncccn1 ZINC001266906817 775181363 /nfs/dbraw/zinc/18/13/63/775181363.db2.gz VYGUIUUTLXMZRU-UHFFFAOYSA-N 0 3 251.290 -1.116 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)c1ncccn1 ZINC001266906492 775181859 /nfs/dbraw/zinc/18/18/59/775181859.db2.gz HTKXBERAGCVOCG-VIFPVBQESA-N 0 3 291.311 -1.057 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)c1cnon1)C(N)=O ZINC001266904293 775181878 /nfs/dbraw/zinc/18/18/78/775181878.db2.gz VRQDVQMKLKXFQM-SSDOTTSWSA-N 0 3 255.278 -1.005 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)CCNCC(N)=O ZINC001266898185 775182160 /nfs/dbraw/zinc/18/21/60/775182160.db2.gz ZBMVNAYSNXSIAK-UHFFFAOYSA-N 0 3 258.322 -1.566 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)c1ncccn1 ZINC001266906491 775182221 /nfs/dbraw/zinc/18/22/21/775182221.db2.gz HTKXBERAGCVOCG-SECBINFHSA-N 0 3 291.311 -1.057 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)C1=COCCO1)C(N)=O ZINC001266921428 775183502 /nfs/dbraw/zinc/18/35/02/775183502.db2.gz GIGOSCXKYHOJNL-JGVFFNPUSA-N 0 3 257.290 -1.157 20 0 CAADHN C[C@H](CNC(=O)c1ccon1)NCCNS(C)(=O)=O ZINC001266926841 775183742 /nfs/dbraw/zinc/18/37/42/775183742.db2.gz RBCVIZKLBNJESH-MRVPVSSYSA-N 0 3 290.345 -1.068 20 0 CAADHN CCOCCC(=O)NC[C@H](C)NCC(=O)NC(=O)NC ZINC001266925167 775183903 /nfs/dbraw/zinc/18/39/03/775183903.db2.gz MRYFOMSUOWTRDR-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CC(=O)NC[C@@H](C)NCCN(C)S(C)(=O)=O ZINC001266918087 775184688 /nfs/dbraw/zinc/18/46/88/775184688.db2.gz QPBHFDPIHAOCBC-MRVPVSSYSA-N 0 3 251.352 -1.008 20 0 CAADHN COCCOCC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001266926577 775184751 /nfs/dbraw/zinc/18/47/51/775184751.db2.gz BHHKVQPROFWBFW-UWVGGRQHSA-N 0 3 273.333 -1.368 20 0 CAADHN COCCOCC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001266926579 775184851 /nfs/dbraw/zinc/18/48/51/775184851.db2.gz BHHKVQPROFWBFW-ZJUUUORDSA-N 0 3 273.333 -1.368 20 0 CAADHN COCCOCC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001266926576 775184890 /nfs/dbraw/zinc/18/48/90/775184890.db2.gz BHHKVQPROFWBFW-NXEZZACHSA-N 0 3 273.333 -1.368 20 0 CAADHN CC(=O)NC[C@H](C)NCCN(C)S(C)(=O)=O ZINC001266918088 775185169 /nfs/dbraw/zinc/18/51/69/775185169.db2.gz QPBHFDPIHAOCBC-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN Cc1nnc(CC(=O)NC[C@H](C)NCC(N)=O)o1 ZINC001266935864 775185697 /nfs/dbraw/zinc/18/56/97/775185697.db2.gz ONJSJVHLJPOXMB-LURJTMIESA-N 0 3 255.278 -1.500 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)N[C@@H]1CCC(=O)NC1=O ZINC001266939433 775185720 /nfs/dbraw/zinc/18/57/20/775185720.db2.gz IAIYWSVFZWWZQQ-JGVFFNPUSA-N 0 3 295.303 -2.427 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1N)NCC(N)=O ZINC001266934763 775186773 /nfs/dbraw/zinc/18/67/73/775186773.db2.gz YYNFQWMETVHDNG-ZCFIWIBFSA-N 0 3 254.294 -1.805 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)NCC(N)=O ZINC001266935656 775186786 /nfs/dbraw/zinc/18/67/86/775186786.db2.gz MTIRBFLCZAOIDB-SSDOTTSWSA-N 0 3 259.310 -2.115 20 0 CAADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)NCC(N)=O ZINC001266946237 775187306 /nfs/dbraw/zinc/18/73/06/775187306.db2.gz JZHMEZBELVWGIL-LURJTMIESA-N 0 3 253.262 -1.625 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCNC1=O)NCC(=O)NCC1CC1 ZINC001266962112 775188180 /nfs/dbraw/zinc/18/81/80/775188180.db2.gz OAQFPMWRQABCKU-ONGXEEELSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](CNC(=O)CCc1cncnc1)NCC(N)=O ZINC001266954452 775188372 /nfs/dbraw/zinc/18/83/72/775188372.db2.gz ARXZLZXQRHZAHZ-SECBINFHSA-N 0 3 265.317 -1.011 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)NCC(N)=O ZINC001266960685 775188476 /nfs/dbraw/zinc/18/84/76/775188476.db2.gz DUOGWQQTXMKNRA-LURJTMIESA-N 0 3 255.278 -1.681 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@]1(C)CCNC1=O ZINC001266970755 775188993 /nfs/dbraw/zinc/18/89/93/775188993.db2.gz GHGCDMIFPBTLDM-NOZJJQNGSA-N 0 3 284.360 -1.257 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001266963209 775189057 /nfs/dbraw/zinc/18/90/57/775189057.db2.gz BJZBVMYJGUKRRY-SSDOTTSWSA-N 0 3 269.309 -1.946 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)NCCN1CCCS1(=O)=O ZINC001266967764 775189755 /nfs/dbraw/zinc/18/97/55/775189755.db2.gz PMCOUNPDMAJVCO-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN C[C@H](CNC(=O)c1ncn[nH]1)NCc1cn(C)nn1 ZINC001266979634 775191157 /nfs/dbraw/zinc/19/11/57/775191157.db2.gz JEOWVEZQBFXURY-SSDOTTSWSA-N 0 3 264.293 -1.159 20 0 CAADHN C[C@H](CNC(=O)c1nc[nH]n1)NCc1cn(C)nn1 ZINC001266979634 775191163 /nfs/dbraw/zinc/19/11/63/775191163.db2.gz JEOWVEZQBFXURY-SSDOTTSWSA-N 0 3 264.293 -1.159 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](C)NCC(=O)N(C)C)CC1 ZINC001266977637 775191484 /nfs/dbraw/zinc/19/14/84/775191484.db2.gz BFLPWTGCCVEKJG-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001266991997 775191536 /nfs/dbraw/zinc/19/15/36/775191536.db2.gz XGAWAWVIYNFRGP-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](CNC(=O)CN1C(=O)CNC1=O)N[C@@H]1CCNC1=O ZINC001266991247 775191925 /nfs/dbraw/zinc/19/19/25/775191925.db2.gz GAAVKVSPUXNRFX-JGVFFNPUSA-N 0 3 297.315 -2.479 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)N[C@@H]1CCC(=O)NC1=O ZINC001266978926 775192176 /nfs/dbraw/zinc/19/21/76/775192176.db2.gz WKRPZVOYBPXZEE-JGVFFNPUSA-N 0 3 294.315 -1.672 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001267005911 775192878 /nfs/dbraw/zinc/19/28/78/775192878.db2.gz YRXDALBAAYFGEM-VIFPVBQESA-N 0 3 265.317 -1.030 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001267008048 775192905 /nfs/dbraw/zinc/19/29/05/775192905.db2.gz ZHWAMULMBYYIDN-QMMMGPOBSA-N 0 3 256.306 -1.860 20 0 CAADHN CN(CCNCC(=O)N1CCCC1)C(=O)[C@@H]1CCC(=O)N1 ZINC001266999320 775192925 /nfs/dbraw/zinc/19/29/25/775192925.db2.gz OAJREPLWGVYMPQ-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)NCC(N)=O ZINC001266999011 775193321 /nfs/dbraw/zinc/19/33/21/775193321.db2.gz RDLHLIKTWWEZAD-RNFRBKRXSA-N 0 3 270.289 -2.381 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001266999549 775193645 /nfs/dbraw/zinc/19/36/45/775193645.db2.gz UEROJRBFVXXMBA-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001266996400 775193819 /nfs/dbraw/zinc/19/38/19/775193819.db2.gz OZYABYSTSJEZCU-XPUUQOCRSA-N 0 3 267.289 -1.026 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001266996397 775193837 /nfs/dbraw/zinc/19/38/37/775193837.db2.gz OZYABYSTSJEZCU-HTRCEHHLSA-N 0 3 267.289 -1.026 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccn(C)n1 ZINC001266993614 775194204 /nfs/dbraw/zinc/19/42/04/775194204.db2.gz OLXWQAFYDGTKIJ-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN CN(CCN[C@H]1CCN(C(=O)C(N)=O)C1)S(C)(=O)=O ZINC001267016025 775194858 /nfs/dbraw/zinc/19/48/58/775194858.db2.gz CNKHAJUGPOMNNK-QMMMGPOBSA-N 0 3 292.361 -2.446 20 0 CAADHN Cc1nn(CC(=O)N(C)CCNCCF)c(=O)n1C ZINC001267020268 775195156 /nfs/dbraw/zinc/19/51/56/775195156.db2.gz ZEJOQRKPPFEDSL-UHFFFAOYSA-N 0 3 273.312 -1.092 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCCC(=O)N1C ZINC001267019746 775195277 /nfs/dbraw/zinc/19/52/77/775195277.db2.gz GPFXYLJOGUMTDJ-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001267040209 775196314 /nfs/dbraw/zinc/19/63/14/775196314.db2.gz HZBWHLZIOOFNSA-MRVPVSSYSA-N 0 3 299.331 -2.231 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)Cn1cncn1 ZINC001267040667 775197204 /nfs/dbraw/zinc/19/72/04/775197204.db2.gz SUYBHIPSMNPDTC-SECBINFHSA-N 0 3 294.315 -1.869 20 0 CAADHN NC(=O)NCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001207259090 775198786 /nfs/dbraw/zinc/19/87/86/775198786.db2.gz WYPAKLGLDRPWEX-DTWKUNHWSA-N 0 3 283.332 -1.876 20 0 CAADHN NC(=O)NCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001207259092 775198868 /nfs/dbraw/zinc/19/88/68/775198868.db2.gz WYPAKLGLDRPWEX-RKDXNWHRSA-N 0 3 283.332 -1.876 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207267799 775200036 /nfs/dbraw/zinc/20/00/36/775200036.db2.gz RCRHLCQJPFSGGO-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN Cc1nc(CN[C@H]2CCCN(C(=O)CNC(N)=O)C2)n[nH]1 ZINC001207267635 775200143 /nfs/dbraw/zinc/20/01/43/775200143.db2.gz PREPNSSNMVTKNX-VIFPVBQESA-N 0 3 295.347 -1.138 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cncc(F)c1 ZINC001125577191 775200216 /nfs/dbraw/zinc/20/02/16/775200216.db2.gz HHNHWIBWVAOLMG-UHFFFAOYSA-N 0 3 283.263 -1.265 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)CNC(N)=O)C1)C(=O)N(C)C ZINC001207268584 775200500 /nfs/dbraw/zinc/20/05/00/775200500.db2.gz VHTUROYSKVUYNX-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](O)CN1C[C@H]2OCCN(C(=O)Cc3nnc[nH]3)[C@H]2C1 ZINC001083244124 775202109 /nfs/dbraw/zinc/20/21/09/775202109.db2.gz JYWFCVXPRLSEPT-GARJFASQSA-N 0 3 295.343 -1.360 20 0 CAADHN C[C@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3nnc[n-]3)[C@H]2C1 ZINC001083244124 775202117 /nfs/dbraw/zinc/20/21/17/775202117.db2.gz JYWFCVXPRLSEPT-GARJFASQSA-N 0 3 295.343 -1.360 20 0 CAADHN C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3nnc[n-]3)[C@H]2C1 ZINC001083244124 775202124 /nfs/dbraw/zinc/20/21/24/775202124.db2.gz JYWFCVXPRLSEPT-GARJFASQSA-N 0 3 295.343 -1.360 20 0 CAADHN C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CN[C@H]2CCCNC2=O)C1 ZINC001087207181 775202164 /nfs/dbraw/zinc/20/21/64/775202164.db2.gz TUDFBHVDXJNAKS-VWYCJHECSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cccnc1C(N)=O ZINC001267105166 775202636 /nfs/dbraw/zinc/20/26/36/775202636.db2.gz CNOQNWZWDGSOST-UHFFFAOYSA-N 0 3 293.327 -1.412 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cc[nH]c(=O)c1 ZINC001125605478 775203176 /nfs/dbraw/zinc/20/31/76/775203176.db2.gz OOCDPHNTDLBSGA-SECBINFHSA-N 0 3 264.285 -1.005 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cn(C)c(=O)n1C ZINC001267121112 775203446 /nfs/dbraw/zinc/20/34/46/775203446.db2.gz DVFBKNOACRSQQC-UHFFFAOYSA-N 0 3 269.305 -2.129 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001125615310 775205057 /nfs/dbraw/zinc/20/50/57/775205057.db2.gz FYLAUKQIXYDHRK-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125615487 775205112 /nfs/dbraw/zinc/20/51/12/775205112.db2.gz KZYVOENHORZDGA-ZETCQYMHSA-N 0 3 285.304 -2.587 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@H]1CC(=O)NC1=O)C(N)=O ZINC001267158778 775205671 /nfs/dbraw/zinc/20/56/71/775205671.db2.gz JUZRRAUPZZTJMS-JGVFFNPUSA-N 0 3 284.316 -2.039 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001267150629 775205910 /nfs/dbraw/zinc/20/59/10/775205910.db2.gz YFZYNRUZHIHSLV-UHFFFAOYSA-N 0 3 282.304 -1.425 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC(=O)C1)N1CCC1 ZINC001125615627 775206298 /nfs/dbraw/zinc/20/62/98/775206298.db2.gz OKUXSGUWXMWWEE-JTQLQIEISA-N 0 3 282.344 -1.549 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCNC(=O)C1)C(=O)NC(N)=O ZINC001125624433 775207302 /nfs/dbraw/zinc/20/73/02/775207302.db2.gz BPEPJUIHGZEXCT-SFYZADRCSA-N 0 3 299.331 -2.198 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125616028 775207759 /nfs/dbraw/zinc/20/77/59/775207759.db2.gz YLBXADHHCLYDCZ-QMMMGPOBSA-N 0 3 256.306 -2.036 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCNC(=O)C1)C(=O)NC1CC1 ZINC001125624380 775208113 /nfs/dbraw/zinc/20/81/13/775208113.db2.gz AAAMOPOEYCELIP-VHSXEESVSA-N 0 3 296.371 -1.115 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC(=O)C1)NC1CC1 ZINC001125615836 775208146 /nfs/dbraw/zinc/20/81/46/775208146.db2.gz UQQHMDUNRWZEBD-VIFPVBQESA-N 0 3 282.344 -1.503 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCNC(=O)C2)C1=O ZINC001125629905 775209651 /nfs/dbraw/zinc/20/96/51/775209651.db2.gz BBSGLGSXHQZMEQ-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CCNC(=O)C1 ZINC001125630742 775209666 /nfs/dbraw/zinc/20/96/66/775209666.db2.gz LUNXMJUSJWPKFO-BDAKNGLRSA-N 0 3 268.317 -1.893 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCNC(=O)C1 ZINC001125630743 775209993 /nfs/dbraw/zinc/20/99/93/775209993.db2.gz LUNXMJUSJWPKFO-DTWKUNHWSA-N 0 3 268.317 -1.893 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1CCNC(=O)C1 ZINC001125631058 775210186 /nfs/dbraw/zinc/21/01/86/775210186.db2.gz RJIRILKHOPXIFX-DTWKUNHWSA-N 0 3 296.327 -1.976 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@@H]2CCNC(=O)C2)C1=O ZINC001125631049 775210975 /nfs/dbraw/zinc/21/09/75/775210975.db2.gz RFAHDIBGOXGLDC-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCNC(=O)C2)C1=O ZINC001125637052 775212585 /nfs/dbraw/zinc/21/25/85/775212585.db2.gz CFWJZKRGTXTEQO-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCNC(=O)C1)C(N)=O ZINC001125638259 775212985 /nfs/dbraw/zinc/21/29/85/775212985.db2.gz NNGDXKCDCRKVGS-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCNC(=O)C1)C(=O)N(C)C ZINC001125637055 775213017 /nfs/dbraw/zinc/21/30/17/775213017.db2.gz CHQJCQDBYZFNJW-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CCCNC1=O ZINC001267201049 775213134 /nfs/dbraw/zinc/21/31/34/775213134.db2.gz VEXGFXCKMVBONV-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001267199058 775213302 /nfs/dbraw/zinc/21/33/02/775213302.db2.gz ILBZRSUDIDIYSE-ZJUUUORDSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCNC(=O)C1)C(=O)N(C)C ZINC001125637054 775213596 /nfs/dbraw/zinc/21/35/96/775213596.db2.gz CHQJCQDBYZFNJW-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001267199053 775213856 /nfs/dbraw/zinc/21/38/56/775213856.db2.gz ILBZRSUDIDIYSE-NXEZZACHSA-N 0 3 257.334 -1.107 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CCN(C)C1=O ZINC001267211889 775214693 /nfs/dbraw/zinc/21/46/93/775214693.db2.gz VJEYOZCKKXTHEJ-WDEREUQCSA-N 0 3 287.360 -1.480 20 0 CAADHN CCOCCN(C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001267214160 775216392 /nfs/dbraw/zinc/21/63/92/775216392.db2.gz MZEYUEAKTYFYAB-SECBINFHSA-N 0 3 258.322 -1.248 20 0 CAADHN CN(CCO)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001267221445 775217855 /nfs/dbraw/zinc/21/78/55/775217855.db2.gz ISPVKACCWNELHH-UHFFFAOYSA-N 0 3 257.290 -1.921 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCNC(=O)c1ncn[nH]1 ZINC001267223198 775218065 /nfs/dbraw/zinc/21/80/65/775218065.db2.gz DQHMYTJCGRGRRD-ZETCQYMHSA-N 0 3 254.294 -1.270 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCNC(=O)c1nc[nH]n1 ZINC001267223198 775218067 /nfs/dbraw/zinc/21/80/67/775218067.db2.gz DQHMYTJCGRGRRD-ZETCQYMHSA-N 0 3 254.294 -1.270 20 0 CAADHN Cn1ccc(C(=O)NCCNCC(=O)NC(N)=O)c1 ZINC001125662507 775220140 /nfs/dbraw/zinc/22/01/40/775220140.db2.gz CTFYBLLFUQZCKK-UHFFFAOYSA-N 0 3 267.289 -1.461 20 0 CAADHN CCN(CCNC(=O)c1ncn[nH]1)[C@@H](C)C(N)=O ZINC001267252815 775220226 /nfs/dbraw/zinc/22/02/26/775220226.db2.gz ALBHRCHUGZMLAZ-ZETCQYMHSA-N 0 3 254.294 -1.270 20 0 CAADHN CCN(CCNC(=O)c1nc[nH]n1)[C@@H](C)C(N)=O ZINC001267252815 775220233 /nfs/dbraw/zinc/22/02/33/775220233.db2.gz ALBHRCHUGZMLAZ-ZETCQYMHSA-N 0 3 254.294 -1.270 20 0 CAADHN COC(=O)NCC(=O)NC[C@H]1CCCN1CCO ZINC001267261355 775220628 /nfs/dbraw/zinc/22/06/28/775220628.db2.gz UGDGPZVMADXUIA-SECBINFHSA-N 0 3 259.306 -1.085 20 0 CAADHN Cn1ccc(C(=O)NCCNCCNS(C)(=O)=O)c1 ZINC001125667262 775220859 /nfs/dbraw/zinc/22/08/59/775220859.db2.gz KGUXBJXCOINTTI-UHFFFAOYSA-N 0 3 288.373 -1.106 20 0 CAADHN CCN(CCNC(=O)CCc1cnn[nH]1)CC(N)=O ZINC001267250086 775221684 /nfs/dbraw/zinc/22/16/84/775221684.db2.gz DXXOIBRHUFUHOK-UHFFFAOYSA-N 0 3 268.321 -1.339 20 0 CAADHN NC(=O)C1(C(=O)NC[C@@H]2CCCN2CCOCCO)CC1 ZINC001267273259 775222490 /nfs/dbraw/zinc/22/24/90/775222490.db2.gz DBEOVNPDHKYJPL-NSHDSACASA-N 0 3 299.371 -1.159 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001114992459 775222604 /nfs/dbraw/zinc/22/26/04/775222604.db2.gz VSSGUDPAKIJPES-IWIIMEHWSA-N 0 3 268.361 -1.140 20 0 CAADHN O=C(C[C@@H]1COC(=O)C1)NCCNCC(=O)N1CCC1 ZINC001125676354 775222769 /nfs/dbraw/zinc/22/27/69/775222769.db2.gz QGNHNZLVUJAEFB-JTQLQIEISA-N 0 3 283.328 -1.122 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@H]1CCCN1CCO ZINC001267265810 775223346 /nfs/dbraw/zinc/22/33/46/775223346.db2.gz APGWOZOIANIZAH-IUCAKERBSA-N 0 3 258.322 -1.384 20 0 CAADHN O=C(NC[C@H]1CCCN1CCOCCO)[C@@H]1CCNC1=O ZINC001267271917 775223365 /nfs/dbraw/zinc/22/33/65/775223365.db2.gz FPKNNSILYFTIBZ-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@H]1CCCN1CCO ZINC001267265809 775223492 /nfs/dbraw/zinc/22/34/92/775223492.db2.gz APGWOZOIANIZAH-DTWKUNHWSA-N 0 3 258.322 -1.384 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCOCCO)[C@@H]1CCNC1=O ZINC001267271915 775223579 /nfs/dbraw/zinc/22/35/79/775223579.db2.gz FPKNNSILYFTIBZ-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cn(C)cn1 ZINC001125671258 775224019 /nfs/dbraw/zinc/22/40/19/775224019.db2.gz LVAZADOUZKSUNT-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@H]2CCNC2=O)c1 ZINC001125680983 775224034 /nfs/dbraw/zinc/22/40/34/775224034.db2.gz MYHIPFAVFBRRMI-QMMMGPOBSA-N 0 3 251.290 -1.372 20 0 CAADHN O=C(C[C@H]1COC(=O)C1)NCCN[C@@H]1CCCNC1=O ZINC001125687466 775224826 /nfs/dbraw/zinc/22/48/26/775224826.db2.gz CXFIPVJPLAURRQ-NXEZZACHSA-N 0 3 283.328 -1.076 20 0 CAADHN COCC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075465223 775225021 /nfs/dbraw/zinc/22/50/21/775225021.db2.gz MMFVPPJPKZNBQE-GARJFASQSA-N 0 3 295.339 -1.029 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125687481 775225112 /nfs/dbraw/zinc/22/51/12/775225112.db2.gz DIQDEHQLMOTBIX-VIFPVBQESA-N 0 3 271.317 -1.219 20 0 CAADHN COCC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001075465224 775225143 /nfs/dbraw/zinc/22/51/43/775225143.db2.gz MMFVPPJPKZNBQE-HBNTYKKESA-N 0 3 295.339 -1.029 20 0 CAADHN CN(C(=O)[C@H]1CCCNC1=O)[C@@H](CNCC(N)=O)C1CC1 ZINC001283506758 775225201 /nfs/dbraw/zinc/22/52/01/775225201.db2.gz JAFDDSGCFPRUAF-QWRGUYRKSA-N 0 3 296.371 -1.176 20 0 CAADHN O=C(C[C@@H]1COC(=O)C1)NCCN[C@H]1CCNC1=O ZINC001125687452 775225532 /nfs/dbraw/zinc/22/55/32/775225532.db2.gz CSCNUPKHAMKRMB-IUCAKERBSA-N 0 3 269.301 -1.466 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@H]1COC(=O)C1 ZINC001125687480 775225713 /nfs/dbraw/zinc/22/57/13/775225713.db2.gz DIQDEHQLMOTBIX-SECBINFHSA-N 0 3 271.317 -1.219 20 0 CAADHN CN(C(=O)[C@@H]1CCCNC1=O)[C@H](CNCC(N)=O)C1CC1 ZINC001283506745 775225796 /nfs/dbraw/zinc/22/57/96/775225796.db2.gz JAFDDSGCFPRUAF-GHMZBOCLSA-N 0 3 296.371 -1.176 20 0 CAADHN O=C(C[C@@H]1COC(=O)C1)NCCN[C@H]1CCCNC1=O ZINC001125687467 775225837 /nfs/dbraw/zinc/22/58/37/775225837.db2.gz CXFIPVJPLAURRQ-UWVGGRQHSA-N 0 3 283.328 -1.076 20 0 CAADHN O=C(C[C@H]1COC(=O)C1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001125688704 775226084 /nfs/dbraw/zinc/22/60/84/775226084.db2.gz XQRIBTZHRQXCCJ-RKDXNWHRSA-N 0 3 297.311 -1.549 20 0 CAADHN O=C1CC[C@H]2CN(S(=O)(=O)C3CNC3)CC[C@@H]2N1 ZINC000405123989 775226959 /nfs/dbraw/zinc/22/69/59/775226959.db2.gz COUURHYOYYIUJQ-WPRPVWTQSA-N 0 3 273.358 -1.112 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1COC(=O)C1)C(N)=O ZINC001125688785 775227109 /nfs/dbraw/zinc/22/71/09/775227109.db2.gz ZXNAPJCIILWNAC-JGVFFNPUSA-N 0 3 257.290 -1.481 20 0 CAADHN CNC(=O)NC(=O)CNCCN(CCO)C(=O)C1CC1 ZINC001279640734 775227126 /nfs/dbraw/zinc/22/71/26/775227126.db2.gz YDNVAPHRKDULAJ-UHFFFAOYSA-N 0 3 286.332 -1.738 20 0 CAADHN CC(C)N(CCCNC(=O)[C@@H]1CNC(=O)N1)CC(N)=O ZINC001267313767 775229149 /nfs/dbraw/zinc/22/91/49/775229149.db2.gz WSYLWDZPMRXRKH-VIFPVBQESA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@H]1COC(=O)C1 ZINC001125694894 775229709 /nfs/dbraw/zinc/22/97/09/775229709.db2.gz IQJFWQWSGMUPKT-DTWKUNHWSA-N 0 3 271.317 -1.220 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@H]2COC(=O)C2)C1=O ZINC001125695773 775229997 /nfs/dbraw/zinc/22/99/97/775229997.db2.gz PEIIUHARLQPOSD-ZJUUUORDSA-N 0 3 283.328 -1.124 20 0 CAADHN CN(CCNCC(=O)N1CCOCC1)C(=O)c1cc[nH]n1 ZINC001267347808 775231788 /nfs/dbraw/zinc/23/17/88/775231788.db2.gz LGCUVCBGJWVTBX-UHFFFAOYSA-N 0 3 295.343 -1.070 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)c1cn[nH]c1 ZINC001267348370 775231892 /nfs/dbraw/zinc/23/18/92/775231892.db2.gz BMRRCUALUJSCSG-SECBINFHSA-N 0 3 279.300 -1.124 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)c1cn[nH]c1 ZINC001267348371 775231944 /nfs/dbraw/zinc/23/19/44/775231944.db2.gz BMRRCUALUJSCSG-VIFPVBQESA-N 0 3 279.300 -1.124 20 0 CAADHN COCCN(CCNC(=O)CN1C(=O)CNC1=O)C1CC1 ZINC001267337184 775232255 /nfs/dbraw/zinc/23/22/55/775232255.db2.gz KCWSDDPGWHXACF-UHFFFAOYSA-N 0 3 298.343 -1.235 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@H]1CCCOC1 ZINC001267353123 775232759 /nfs/dbraw/zinc/23/27/59/775232759.db2.gz GTUKZPKWYPACGN-VIFPVBQESA-N 0 3 286.332 -1.344 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)CCn1cncn1 ZINC001267349096 775233060 /nfs/dbraw/zinc/23/30/60/775233060.db2.gz PMUQKNSQOFLXEX-UHFFFAOYSA-N 0 3 297.319 -2.089 20 0 CAADHN COC[C@@H](C)C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001267354826 775234087 /nfs/dbraw/zinc/23/40/87/775234087.db2.gz ZMIIWIKUWGZVLO-MRVPVSSYSA-N 0 3 274.321 -1.488 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001267362968 775234122 /nfs/dbraw/zinc/23/41/22/775234122.db2.gz QIEWXRRGCLQLAF-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H](C)n1cncn1 ZINC001267365415 775234187 /nfs/dbraw/zinc/23/41/87/775234187.db2.gz XCNGFERRSGIWKG-VIFPVBQESA-N 0 3 268.321 -1.367 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001267362633 775234267 /nfs/dbraw/zinc/23/42/67/775234267.db2.gz LHSIXEGKDSWDDY-QMMMGPOBSA-N 0 3 299.331 -2.245 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@@H]1CCOC1 ZINC001267353607 775234298 /nfs/dbraw/zinc/23/42/98/775234298.db2.gz UWITVIITJXFBJA-MRVPVSSYSA-N 0 3 272.305 -1.734 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCNCC(=O)N1CCC1 ZINC001267355615 775234530 /nfs/dbraw/zinc/23/45/30/775234530.db2.gz XMHOEHXEGWORET-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCNCC(=O)N2CCC2)C1 ZINC001267366409 775234548 /nfs/dbraw/zinc/23/45/48/775234548.db2.gz GDRHFNMNDRDASW-UHFFFAOYSA-N 0 3 296.371 -1.255 20 0 CAADHN CCNC(=O)CC(=O)N(C)CCN[C@H](CC)C(N)=O ZINC001267363977 775234561 /nfs/dbraw/zinc/23/45/61/775234561.db2.gz PLHBIWWJQWJYGT-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cc1cc[nH]n1)C(N)=O ZINC001267358525 775234904 /nfs/dbraw/zinc/23/49/04/775234904.db2.gz FWYUQGBKOLTEKS-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN CCNC(=O)CC(=O)N(C)CCN[C@@H](C)C(=O)NC ZINC001267363800 775235001 /nfs/dbraw/zinc/23/50/01/775235001.db2.gz KIDNGQCOLJIFIA-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CCNC(=O)CC(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001267364231 775235069 /nfs/dbraw/zinc/23/50/69/775235069.db2.gz WVKGVSFYYYGJHF-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@H]1CCCCO1 ZINC001267364666 775235093 /nfs/dbraw/zinc/23/50/93/775235093.db2.gz RBLGMRGAHMRAGM-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN COC[C@H](C)C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001267354827 775235111 /nfs/dbraw/zinc/23/51/11/775235111.db2.gz ZMIIWIKUWGZVLO-QMMMGPOBSA-N 0 3 274.321 -1.488 20 0 CAADHN CN(CCNCC(=O)NC(C)(C)C)C(=O)Cn1ncnn1 ZINC001267373457 775236232 /nfs/dbraw/zinc/23/62/32/775236232.db2.gz VZMPTZJIXLJRHE-UHFFFAOYSA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@H](NCCNC(=O)Cc1cccnc1)C(=O)NC(N)=O ZINC001125711299 775236267 /nfs/dbraw/zinc/23/62/67/775236267.db2.gz BXNFFOWFHCLBAB-VIFPVBQESA-N 0 3 293.327 -1.087 20 0 CAADHN CCN(C)C(=O)CNCCN(C)C(=O)Cn1ncnn1 ZINC001267374074 775236584 /nfs/dbraw/zinc/23/65/84/775236584.db2.gz USXWCOKXPHDXRU-UHFFFAOYSA-N 0 3 283.336 -1.801 20 0 CAADHN CCN(C)C(=O)CNCCN(C)C(=O)CNC(=O)NC ZINC001267379631 775236868 /nfs/dbraw/zinc/23/68/68/775236868.db2.gz IPUGIUKDIFDBGE-UHFFFAOYSA-N 0 3 287.364 -1.558 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)c1ncn(C)n1 ZINC001267368943 775236929 /nfs/dbraw/zinc/23/69/29/775236929.db2.gz KBWPLMAPCLVBRH-UHFFFAOYSA-N 0 3 280.332 -1.291 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1cccnc1)C(=O)NC(N)=O ZINC001125711298 775237136 /nfs/dbraw/zinc/23/71/36/775237136.db2.gz BXNFFOWFHCLBAB-SECBINFHSA-N 0 3 293.327 -1.087 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1cccnc1 ZINC001125705365 775237380 /nfs/dbraw/zinc/23/73/80/775237380.db2.gz CUOPQVOXMUPNSD-UHFFFAOYSA-N 0 3 293.327 -1.215 20 0 CAADHN CNS(=O)(=O)CCC(=O)N(C)CCNCC(N)=O ZINC001267372454 775237644 /nfs/dbraw/zinc/23/76/44/775237644.db2.gz QQUGELONGDXBPM-UHFFFAOYSA-N 0 3 280.350 -2.541 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)C(C)(C)C(N)=O ZINC001267386210 775238498 /nfs/dbraw/zinc/23/84/98/775238498.db2.gz YIAHPOLZFMNCOT-UHFFFAOYSA-N 0 3 272.349 -1.318 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCCO1 ZINC001125719340 775239415 /nfs/dbraw/zinc/23/94/15/775239415.db2.gz ZYEYKBKUDQVMGP-MRVPVSSYSA-N 0 3 272.305 -1.544 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)C(C)(C)C(N)=O ZINC001267385675 775239661 /nfs/dbraw/zinc/23/96/61/775239661.db2.gz CKIRMLKUBTUVQK-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001267386414 775239721 /nfs/dbraw/zinc/23/97/21/775239721.db2.gz HHAFGBIUEUFJLB-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@H]1CCCCO1 ZINC001125723497 775239753 /nfs/dbraw/zinc/23/97/53/775239753.db2.gz RBQCLURFXWTEMG-SNVBAGLBSA-N 0 3 293.389 -1.190 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CN1CCCNC1=O ZINC001267395639 775240743 /nfs/dbraw/zinc/24/07/43/775240743.db2.gz VTUMWRDICOBHOG-UHFFFAOYSA-N 0 3 285.348 -1.804 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cn(C)nc1OC ZINC001267412655 775241108 /nfs/dbraw/zinc/24/11/08/775241108.db2.gz ONCHGGWJWLKIGF-UHFFFAOYSA-N 0 3 283.332 -1.164 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CCN1C(=O)CCC1=O ZINC001267398720 775241128 /nfs/dbraw/zinc/24/11/28/775241128.db2.gz VYZAXOAKZHQAMZ-UHFFFAOYSA-N 0 3 284.316 -1.941 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001267412718 775241174 /nfs/dbraw/zinc/24/11/74/775241174.db2.gz QMTSOGGCHXQRSJ-BDAKNGLRSA-N 0 3 270.333 -1.708 20 0 CAADHN COCCn1ccc(C(=O)N(C)CCNCC(N)=O)n1 ZINC001267400261 775241386 /nfs/dbraw/zinc/24/13/86/775241386.db2.gz IJLNIKDATWDZGB-UHFFFAOYSA-N 0 3 283.332 -1.324 20 0 CAADHN CN(CCNCC(N)=O)C(=O)C[C@H]1CCCC(=O)N1 ZINC001267399991 775241419 /nfs/dbraw/zinc/24/14/19/775241419.db2.gz WUIKKVUOOKHWBV-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001267412723 775241465 /nfs/dbraw/zinc/24/14/65/775241465.db2.gz QMTSOGGCHXQRSJ-RKDXNWHRSA-N 0 3 270.333 -1.708 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001267414442 775241716 /nfs/dbraw/zinc/24/17/16/775241716.db2.gz HGFDDPISMBCRLQ-SECBINFHSA-N 0 3 285.348 -1.806 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1ccnc2c1CC(=O)N2 ZINC001267397987 775241868 /nfs/dbraw/zinc/24/18/68/775241868.db2.gz UJNVXZHQJRTARU-UHFFFAOYSA-N 0 3 291.311 -1.277 20 0 CAADHN CC(C)N(C)C(=O)CNCCN(C)C(=O)c1nnn(C)n1 ZINC001267415365 775242533 /nfs/dbraw/zinc/24/25/33/775242533.db2.gz IFQQPIKRLDYZNH-UHFFFAOYSA-N 0 3 297.363 -1.262 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)C1(C(N)=O)CC1 ZINC001267421984 775242648 /nfs/dbraw/zinc/24/26/48/775242648.db2.gz XWHWMMPIEAQQKL-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001267420566 775243077 /nfs/dbraw/zinc/24/30/77/775243077.db2.gz CFNCDDSKZGNKPW-JGVFFNPUSA-N 0 3 297.315 -2.479 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001267420567 775243135 /nfs/dbraw/zinc/24/31/35/775243135.db2.gz CFNCDDSKZGNKPW-SFYZADRCSA-N 0 3 297.315 -2.479 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001267427606 775243168 /nfs/dbraw/zinc/24/31/68/775243168.db2.gz OELWGPSCUHNKSL-ZDUSSCGKSA-N 0 3 284.360 -1.351 20 0 CAADHN CN(CCNCC(=O)NCC1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001267420650 775243384 /nfs/dbraw/zinc/24/33/84/775243384.db2.gz FHDJFHGEHJVYRU-JTQLQIEISA-N 0 3 297.359 -1.758 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001267429176 775243402 /nfs/dbraw/zinc/24/34/02/775243402.db2.gz ROSHLFBWUCYBDQ-ZJUUUORDSA-N 0 3 284.360 -1.318 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C1(C(N)=O)CC1 ZINC001267421586 775243577 /nfs/dbraw/zinc/24/35/77/775243577.db2.gz HELNITUGXLJDJD-UHFFFAOYSA-N 0 3 256.306 -1.954 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001267419708 775243691 /nfs/dbraw/zinc/24/36/91/775243691.db2.gz WDSJIRFVXRRCAJ-VIFPVBQESA-N 0 3 294.359 -1.547 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001267420568 775243716 /nfs/dbraw/zinc/24/37/16/775243716.db2.gz CFNCDDSKZGNKPW-YUMQZZPRSA-N 0 3 297.315 -2.479 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@]1(C)CCNC1=O ZINC001267427605 775243757 /nfs/dbraw/zinc/24/37/57/775243757.db2.gz OELWGPSCUHNKSL-CYBMUJFWSA-N 0 3 284.360 -1.351 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CCc1cnn(C)n1 ZINC001267429298 775244003 /nfs/dbraw/zinc/24/40/03/775244003.db2.gz WIUMNIZEIWHQED-UHFFFAOYSA-N 0 3 282.348 -1.458 20 0 CAADHN CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001087259586 775244591 /nfs/dbraw/zinc/24/45/91/775244591.db2.gz VUOMDCOGSXJVAR-MRVPVSSYSA-N 0 3 294.315 -1.411 20 0 CAADHN CC(C)NC(=O)CNCCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001267457709 775244660 /nfs/dbraw/zinc/24/46/60/775244660.db2.gz QPDGPMVAQXKVAB-JTQLQIEISA-N 0 3 284.360 -1.162 20 0 CAADHN CN(CCNCC(=O)N1CCOCC1)C(=O)c1nc[nH]n1 ZINC001267442581 775244902 /nfs/dbraw/zinc/24/49/02/775244902.db2.gz VDLKHEMTVSTQGJ-UHFFFAOYSA-N 0 3 296.331 -1.675 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cc2ncccn2n1 ZINC001267443673 775245451 /nfs/dbraw/zinc/24/54/51/775245451.db2.gz HUSXQRWHPQORJS-UHFFFAOYSA-N 0 3 276.300 -1.124 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1nc[nH]n1 ZINC001267441542 775245484 /nfs/dbraw/zinc/24/54/84/775245484.db2.gz DCBZLQWUXJFVIN-ZETCQYMHSA-N 0 3 252.278 -1.645 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCNCC(N)=O ZINC001267432953 775245505 /nfs/dbraw/zinc/24/55/05/775245505.db2.gz JBKZEYHSROIFSA-SSDOTTSWSA-N 0 3 280.350 -2.543 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001267435685 775245683 /nfs/dbraw/zinc/24/56/83/775245683.db2.gz XTPIZQGEWRZUKO-NXEZZACHSA-N 0 3 284.360 -1.189 20 0 CAADHN CN(CCNCC(N)=O)C(=O)COc1cccnc1 ZINC001267442037 775245739 /nfs/dbraw/zinc/24/57/39/775245739.db2.gz XEEPTAPBRBFGRJ-UHFFFAOYSA-N 0 3 266.301 -1.006 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001267435688 775245784 /nfs/dbraw/zinc/24/57/84/775245784.db2.gz XTPIZQGEWRZUKO-ZJUUUORDSA-N 0 3 284.360 -1.189 20 0 CAADHN CCn1nc(C(=O)N(C)CCNCC(=O)NC)ccc1=O ZINC001267441933 775245836 /nfs/dbraw/zinc/24/58/36/775245836.db2.gz INSUEXIXGRQRCW-UHFFFAOYSA-N 0 3 295.343 -1.329 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)Cc1ncc[nH]1 ZINC001267445468 775245948 /nfs/dbraw/zinc/24/59/48/775245948.db2.gz AYAQCFRLCBCYDT-VIFPVBQESA-N 0 3 293.327 -1.195 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCN[C@@H]2CCNC2=O)CCC1 ZINC001267459479 775246721 /nfs/dbraw/zinc/24/67/21/775246721.db2.gz VBFFBAODCJXVPQ-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)Cn1cncn1 ZINC001267465554 775246997 /nfs/dbraw/zinc/24/69/97/775246997.db2.gz KEBVACQVIPLMQR-UHFFFAOYSA-N 0 3 297.319 -2.218 20 0 CAADHN CN(CCNCc1nc(=O)n(C)[n-]1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267469986 775249436 /nfs/dbraw/zinc/24/94/36/775249436.db2.gz RTHRVBBIILTZQQ-JTQLQIEISA-N 0 3 296.375 -1.392 20 0 CAADHN CN(CCNCc1nc(=O)n(C)[n-]1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267469986 775249444 /nfs/dbraw/zinc/24/94/44/775249444.db2.gz RTHRVBBIILTZQQ-JTQLQIEISA-N 0 3 296.375 -1.392 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H](C)C(N)=O)ncn1 ZINC001125793305 775249875 /nfs/dbraw/zinc/24/98/75/775249875.db2.gz WMHCQRWYJHOMER-MRVPVSSYSA-N 0 3 251.290 -1.022 20 0 CAADHN CC1(C)C[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001125792244 775249933 /nfs/dbraw/zinc/24/99/33/775249933.db2.gz JTLWHHIJJSUWPM-ZETCQYMHSA-N 0 3 256.306 -1.067 20 0 CAADHN CC1(C)C[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001125792243 775249989 /nfs/dbraw/zinc/24/99/89/775249989.db2.gz JTLWHHIJJSUWPM-SSDOTTSWSA-N 0 3 256.306 -1.067 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1ccnc1)C(N)=O ZINC001267479402 775250038 /nfs/dbraw/zinc/25/00/38/775250038.db2.gz UCZBJXAHQQCWIJ-VIFPVBQESA-N 0 3 253.306 -1.195 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001267480762 775250081 /nfs/dbraw/zinc/25/00/81/775250081.db2.gz RFXDNLFQUYJPQC-MRVPVSSYSA-N 0 3 284.316 -2.167 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1ccc(C(N)=O)nc1 ZINC001267478432 775250314 /nfs/dbraw/zinc/25/03/14/775250314.db2.gz QOMSGHRJHJTFNJ-UHFFFAOYSA-N 0 3 279.300 -1.673 20 0 CAADHN CCNC(=O)CN1CC[C@H](CCNC(=O)CC(N)=O)C1 ZINC001267513604 775252015 /nfs/dbraw/zinc/25/20/15/775252015.db2.gz MFCKHBISOFCKGA-JTQLQIEISA-N 0 3 284.360 -1.174 20 0 CAADHN CC(C)N(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)CC(N)=O ZINC001267508835 775252170 /nfs/dbraw/zinc/25/21/70/775252170.db2.gz IAAUQXYFGNVXQL-ZJUUUORDSA-N 0 3 284.360 -1.190 20 0 CAADHN COC[C@@H](CCNS(=O)(=O)N1CCNCC1)OC ZINC000694297353 775253392 /nfs/dbraw/zinc/25/33/92/775253392.db2.gz OPKSDAXOCUSEMS-SNVBAGLBSA-N 0 3 281.378 -1.223 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)ncn1 ZINC001125805941 775253702 /nfs/dbraw/zinc/25/37/02/775253702.db2.gz GTMLXVBKTHYURJ-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN O=C(CN1CCCC1)N1CCO[C@@H]2CN(CCO)C[C@@H]21 ZINC001083275332 775255118 /nfs/dbraw/zinc/25/51/18/775255118.db2.gz YGCOGFGJMOHSKD-QWHCGFSZSA-N 0 3 283.372 -1.014 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)C2(C(N)=O)CC2)C1 ZINC001267564225 775255135 /nfs/dbraw/zinc/25/51/35/775255135.db2.gz OHRLTYSVVGNZBY-SNVBAGLBSA-N 0 3 296.371 -1.174 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCNCC(N)=O)cnn1 ZINC001279704975 775255625 /nfs/dbraw/zinc/25/56/25/775255625.db2.gz JPWYBLRTIKTPJS-UHFFFAOYSA-N 0 3 281.316 -1.706 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)C2(C(N)=O)CC2)C1 ZINC001267564224 775256074 /nfs/dbraw/zinc/25/60/74/775256074.db2.gz OHRLTYSVVGNZBY-JTQLQIEISA-N 0 3 296.371 -1.174 20 0 CAADHN CCN(C)C(=O)CNCCN(CCO)C(=O)c1ncc[nH]1 ZINC001279711028 775256491 /nfs/dbraw/zinc/25/64/91/775256491.db2.gz GLLCHMRJBGJQLE-UHFFFAOYSA-N 0 3 297.359 -1.088 20 0 CAADHN CC[C@@H](C)OCC(=O)NCCNCC(=O)NC(=O)NC ZINC001125824662 775256984 /nfs/dbraw/zinc/25/69/84/775256984.db2.gz OVXDNGLBSRTUQR-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CC[C@H](C)OCC(=O)NCCNCC(=O)NC(=O)NC ZINC001125824663 775257239 /nfs/dbraw/zinc/25/72/39/775257239.db2.gz OVXDNGLBSRTUQR-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ncc[nH]1)C(N)=O ZINC001279711923 775257647 /nfs/dbraw/zinc/25/76/47/775257647.db2.gz UZFUOGNQGPPOKL-QMMMGPOBSA-N 0 3 269.305 -1.692 20 0 CAADHN CC[C@H](C)OCC(=O)NCCNCC(=O)NC(N)=O ZINC001125826159 775258272 /nfs/dbraw/zinc/25/82/72/775258272.db2.gz ZDGZPDRFINTWRW-QMMMGPOBSA-N 0 3 274.321 -1.298 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1CCNCc1cnnn1C ZINC001104609865 775260786 /nfs/dbraw/zinc/26/07/86/775260786.db2.gz YLHSTAFWHDWMED-NXEZZACHSA-N 0 3 294.359 -1.125 20 0 CAADHN Nc1cn(C(=O)C2CCCS2(=O)=O)c(N)nc1=O ZINC001143482662 775262274 /nfs/dbraw/zinc/26/22/74/775262274.db2.gz DLMLRFYRYYZXSF-ZCFIWIBFSA-N 0 3 272.286 -1.132 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001207440451 775263874 /nfs/dbraw/zinc/26/38/74/775263874.db2.gz CLNDAYHCPCDGKR-RYUDHWBXSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001207440452 775264147 /nfs/dbraw/zinc/26/41/47/775264147.db2.gz CLNDAYHCPCDGKR-VXGBXAGGSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001207441283 775264532 /nfs/dbraw/zinc/26/45/32/775264532.db2.gz OVONLWWYFJZOOW-MWLCHTKSSA-N 0 3 284.360 -1.081 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)[C@H]1CNCCN1C ZINC000686123343 775272564 /nfs/dbraw/zinc/27/25/64/775272564.db2.gz BQKQCKSEECCBCD-LLVKDONJSA-N 0 3 286.376 -1.547 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001267629061 775275198 /nfs/dbraw/zinc/27/51/98/775275198.db2.gz LLAXXXIACMEIOF-SDDRHHMPSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001267639204 775276005 /nfs/dbraw/zinc/27/60/05/775276005.db2.gz ZVYLZLFKCWYOER-RKDXNWHRSA-N 0 3 270.333 -1.484 20 0 CAADHN C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001267639202 775276668 /nfs/dbraw/zinc/27/66/68/775276668.db2.gz ZVYLZLFKCWYOER-DTWKUNHWSA-N 0 3 270.333 -1.484 20 0 CAADHN CC[C@@H](C(=O)NC1CN(CC(=O)NC)C1)N(C)C ZINC001267666922 775281759 /nfs/dbraw/zinc/28/17/59/775281759.db2.gz KRNFOLAZRAEWQB-JTQLQIEISA-N 0 3 256.350 -1.127 20 0 CAADHN CCNC(=O)CC(=O)NCC1CN(C[C@@H](O)COC)C1 ZINC001267679170 775283951 /nfs/dbraw/zinc/28/39/51/775283951.db2.gz LISLYMYTDQSWNE-LLVKDONJSA-N 0 3 287.360 -1.432 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)CC(N)=O)C1 ZINC001267678021 775284288 /nfs/dbraw/zinc/28/42/88/775284288.db2.gz JZJLZKAQZWBPCP-SECBINFHSA-N 0 3 259.306 -2.083 20 0 CAADHN C[C@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001267681896 775284354 /nfs/dbraw/zinc/28/43/54/775284354.db2.gz BRTBTYJYLFUQNI-SFYZADRCSA-N 0 3 299.331 -2.165 20 0 CAADHN C[C@H](C(=O)NC(N)=O)N(C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001267681894 775284404 /nfs/dbraw/zinc/28/44/04/775284404.db2.gz BRTBTYJYLFUQNI-HTQZYQBOSA-N 0 3 299.331 -2.165 20 0 CAADHN COCCCN1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001267688228 775286068 /nfs/dbraw/zinc/28/60/68/775286068.db2.gz GMVZJWSVCQEGAL-UHFFFAOYSA-N 0 3 297.359 -1.334 20 0 CAADHN O=C([C@H]1CCC(=O)NC1)N(CCO)CCNCCF ZINC001279753939 775289318 /nfs/dbraw/zinc/28/93/18/775289318.db2.gz VMVRSEFIQOQZLP-JTQLQIEISA-N 0 3 275.324 -1.107 20 0 CAADHN NC(=O)CC(=O)N[C@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001267721119 775289523 /nfs/dbraw/zinc/28/95/23/775289523.db2.gz KVNRXXHTYSTEMH-VHSXEESVSA-N 0 3 292.343 -1.169 20 0 CAADHN NC(=O)NCC(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001149135899 775291420 /nfs/dbraw/zinc/29/14/20/775291420.db2.gz AKGBPMIXKWNCDJ-SNVBAGLBSA-N 0 3 288.348 -1.756 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@](C)(O)C1CC1 ZINC001125865283 775291466 /nfs/dbraw/zinc/29/14/66/775291466.db2.gz HQRPLFKNMMYPBR-LBPRGKRZSA-N 0 3 257.334 -1.011 20 0 CAADHN Cn1cccc1CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219699158 775291551 /nfs/dbraw/zinc/29/15/51/775291551.db2.gz USQTZLOJDWRLGW-NSHDSACASA-N 0 3 264.329 -1.028 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001267725371 775292789 /nfs/dbraw/zinc/29/27/89/775292789.db2.gz OECLPIRCHBIZHY-VHSXEESVSA-N 0 3 287.360 -1.304 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219970351 775294144 /nfs/dbraw/zinc/29/41/44/775294144.db2.gz YUMZCPKMZFTTGT-VGMNWLOBSA-N 0 3 254.290 -1.663 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCc1cn[nH]c1 ZINC001220147304 775294779 /nfs/dbraw/zinc/29/47/79/775294779.db2.gz AGWZSSHIWUHEDY-MRVPVSSYSA-N 0 3 254.294 -1.198 20 0 CAADHN O=C(N[C@@H]1CCN(CCOCCO)C1)c1cnc[nH]c1=O ZINC001267744595 775295773 /nfs/dbraw/zinc/29/57/73/775295773.db2.gz WKLYNCGITXUCCW-SNVBAGLBSA-N 0 3 296.327 -1.005 20 0 CAADHN O=C(NCS(=O)(=O)[O-])[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220240183 775296144 /nfs/dbraw/zinc/29/61/44/775296144.db2.gz GNMGFHLSMCLATQ-MRVPVSSYSA-N 0 3 277.346 -1.178 20 0 CAADHN O=C(NCS(=O)(=O)[O-])[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220240183 775296153 /nfs/dbraw/zinc/29/61/53/775296153.db2.gz GNMGFHLSMCLATQ-MRVPVSSYSA-N 0 3 277.346 -1.178 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@]1(N)CC[NH2+]C1 ZINC001220493395 775296220 /nfs/dbraw/zinc/29/62/20/775296220.db2.gz ZPVPZJMYAZNWKN-NSHDSACASA-N 0 3 253.306 -1.227 20 0 CAADHN CCNC(=O)CN(C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001267746013 775296774 /nfs/dbraw/zinc/29/67/74/775296774.db2.gz NRNLGLWLGVAGLZ-UHFFFAOYSA-N 0 3 284.360 -1.222 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001267748038 775297370 /nfs/dbraw/zinc/29/73/70/775297370.db2.gz MMTOYKUXYOEKHZ-NXEZZACHSA-N 0 3 270.333 -1.105 20 0 CAADHN CN(C(=O)CNCCNC(=O)CN1CCOCC1)C1CC1 ZINC001125889517 775301462 /nfs/dbraw/zinc/30/14/62/775301462.db2.gz CALDLJLBYIMETO-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)N[C@@H](C)C(N)=O ZINC001267796268 775303132 /nfs/dbraw/zinc/30/31/32/775303132.db2.gz LKMUQUUSMCQBDY-YUMQZZPRSA-N 0 3 269.309 -1.969 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NCc1cncn1C ZINC001267817599 775305366 /nfs/dbraw/zinc/30/53/66/775305366.db2.gz ORAHLEMOMCADES-QMMMGPOBSA-N 0 3 253.306 -1.110 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCCNC1=O)NCC(N)=O ZINC001267807432 775305587 /nfs/dbraw/zinc/30/55/87/775305587.db2.gz WUNURLORMHHXOF-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(N)=O ZINC001267816807 775305694 /nfs/dbraw/zinc/30/56/94/775305694.db2.gz GVLUOEVDCVURRC-ZETCQYMHSA-N 0 3 267.289 -1.647 20 0 CAADHN CC[C@@H](CNC(=O)C(=O)NCC(F)F)NCC(=O)NC ZINC001267810834 775305734 /nfs/dbraw/zinc/30/57/34/775305734.db2.gz MOBXEJAOAQPXOS-ZETCQYMHSA-N 0 3 294.302 -1.402 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCOCC1)C(N)=O ZINC001125897602 775306193 /nfs/dbraw/zinc/30/61/93/775306193.db2.gz NVRXRRYADQLLCJ-VIFPVBQESA-N 0 3 258.322 -2.102 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCOCC1)C(=O)NC1CC1 ZINC001125897754 775306252 /nfs/dbraw/zinc/30/62/52/775306252.db2.gz RCHFYTFACIUXQV-NSHDSACASA-N 0 3 298.387 -1.309 20 0 CAADHN CC[C@H](CNC(=O)[C@@]1(CC)CCNC1=O)NCC(N)=O ZINC001267807580 775306362 /nfs/dbraw/zinc/30/63/62/775306362.db2.gz YWULQQYLMMZMLP-RNCFNFMXSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NCC(=O)N(C)CC1CC1 ZINC001267817247 775307815 /nfs/dbraw/zinc/30/78/15/775307815.db2.gz KJQTVVXTMHUCOO-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](CNC(=O)C1(C(N)=O)CC1)N[C@H](C)C(N)=O ZINC001267817264 775308767 /nfs/dbraw/zinc/30/87/67/775308767.db2.gz KOISTMMUQNHUTE-HTQZYQBOSA-N 0 3 270.333 -1.390 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NCC(=O)N(C)CC1CC1 ZINC001267817246 775308802 /nfs/dbraw/zinc/30/88/02/775308802.db2.gz KJQTVVXTMHUCOO-JTQLQIEISA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](CNC(=O)Cn1cncn1)NCC(N)=O ZINC001267824597 775308974 /nfs/dbraw/zinc/30/89/74/775308974.db2.gz FEMIOXIQKRFSDR-MRVPVSSYSA-N 0 3 254.294 -1.752 20 0 CAADHN CC[C@H](CNC(=O)C1(C(N)=O)CC1)N[C@@H](C)C(N)=O ZINC001267817265 775309272 /nfs/dbraw/zinc/30/92/72/775309272.db2.gz KOISTMMUQNHUTE-JGVFFNPUSA-N 0 3 270.333 -1.390 20 0 CAADHN CC[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+]CC(=O)NC ZINC001267826750 775309434 /nfs/dbraw/zinc/30/94/34/775309434.db2.gz LWSCBDZAYMXSEJ-MRVPVSSYSA-N 0 3 268.321 -1.422 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@@H]1CCCNC1=O)C1CC1 ZINC001267855513 775309818 /nfs/dbraw/zinc/30/98/18/775309818.db2.gz CLNYFGSUPWNFIN-YGRLFVJLSA-N 0 3 296.371 -1.128 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CN1CCOCC1 ZINC001125903285 775309841 /nfs/dbraw/zinc/30/98/41/775309841.db2.gz RBLBQBOVVCECIE-UHFFFAOYSA-N 0 3 286.376 -1.451 20 0 CAADHN O=C(CN1CCOCC1)NCCN[C@H]1CCC(=O)NC1=O ZINC001125901681 775310010 /nfs/dbraw/zinc/31/00/10/775310010.db2.gz GVONZRVYDIFHTR-JTQLQIEISA-N 0 3 298.343 -2.170 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CN1CCOCC1 ZINC001125903219 775310123 /nfs/dbraw/zinc/31/01/23/775310123.db2.gz QLLOGNABZRWFKT-UHFFFAOYSA-N 0 3 287.320 -2.781 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1CCOCC1 ZINC001125903184 775310294 /nfs/dbraw/zinc/31/02/94/775310294.db2.gz PLMHVMOATQBKSD-SNVBAGLBSA-N 0 3 272.349 -1.841 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1CCOCC1 ZINC001125903928 775311326 /nfs/dbraw/zinc/31/13/26/775311326.db2.gz ZDQBZWLUZPPZEH-UHFFFAOYSA-N 0 3 272.349 -1.887 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@H]1CCCNC1=O)C1CC1 ZINC001267855508 775311346 /nfs/dbraw/zinc/31/13/46/775311346.db2.gz CLNYFGSUPWNFIN-HZMBPMFUSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@H]1CCCNC1=O)C1CC1 ZINC001267855510 775311726 /nfs/dbraw/zinc/31/17/26/775311726.db2.gz CLNYFGSUPWNFIN-IINYFYTJSA-N 0 3 296.371 -1.128 20 0 CAADHN CCNC(=O)CNC[C@@](C)(NC(=O)C(N)=O)C1CC1 ZINC001267858899 775312180 /nfs/dbraw/zinc/31/21/80/775312180.db2.gz XCJHHGOGKAQSJC-GFCCVEGCSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)n1cncn1)C(N)=O ZINC001125911093 775313683 /nfs/dbraw/zinc/31/36/83/775313683.db2.gz FFYSNFFDYPDFGD-YUMQZZPRSA-N 0 3 254.294 -1.581 20 0 CAADHN C[C@@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)n1cncn1 ZINC001125911144 775313984 /nfs/dbraw/zinc/31/39/84/775313984.db2.gz MPAOLZARBAETOF-IUCAKERBSA-N 0 3 294.315 -1.650 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H](C)C(N)=O)n1cncn1 ZINC001125911091 775314000 /nfs/dbraw/zinc/31/40/00/775314000.db2.gz FFYSNFFDYPDFGD-JGVFFNPUSA-N 0 3 254.294 -1.581 20 0 CAADHN C[C@@H](C(=O)NCCN[C@@H]1CCNC1=O)n1cncn1 ZINC001125930433 775314623 /nfs/dbraw/zinc/31/46/23/775314623.db2.gz JLSZUJLPMUIMTH-DTWKUNHWSA-N 0 3 266.305 -1.567 20 0 CAADHN C[C@H](C(=O)NCCN[C@H]1CCNC1=O)n1cncn1 ZINC001125930430 775314674 /nfs/dbraw/zinc/31/46/74/775314674.db2.gz JLSZUJLPMUIMTH-BDAKNGLRSA-N 0 3 266.305 -1.567 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H]1CCNC1=O)n1cncn1 ZINC001125930438 775316007 /nfs/dbraw/zinc/31/60/07/775316007.db2.gz JLSZUJLPMUIMTH-RKDXNWHRSA-N 0 3 266.305 -1.567 20 0 CAADHN CC(C)(C)OCC(=O)NCCNCC(=O)NC(N)=O ZINC001125957080 775328098 /nfs/dbraw/zinc/32/80/98/775328098.db2.gz UNDGNUXRFGNZTN-UHFFFAOYSA-N 0 3 274.321 -1.298 20 0 CAADHN C[C@@H](C(=O)NCCN[C@@H]1CCCNC1=O)n1cncn1 ZINC001125931037 775317152 /nfs/dbraw/zinc/31/71/52/775317152.db2.gz POFQRLRQMNKHDU-VHSXEESVSA-N 0 3 280.332 -1.177 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](C)n1cncn1 ZINC001125931405 775317237 /nfs/dbraw/zinc/31/72/37/775317237.db2.gz UDAAGHIKPZPDMK-QMMMGPOBSA-N 0 3 297.319 -2.000 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 ZINC001207490718 775318167 /nfs/dbraw/zinc/31/81/67/775318167.db2.gz VUKBBXBHWVUGGM-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](C)n1cncn1 ZINC001125931411 775318370 /nfs/dbraw/zinc/31/83/70/775318370.db2.gz UFWIQYWZSQHUEU-SECBINFHSA-N 0 3 268.321 -1.319 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C1(C(N)=O)CC1 ZINC001279808973 775318918 /nfs/dbraw/zinc/31/89/18/775318918.db2.gz BNWGIVGEIMUVJR-UHFFFAOYSA-N 0 3 272.305 -2.852 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H]1CCCNC1=O)n1cncn1 ZINC001125931035 775318993 /nfs/dbraw/zinc/31/89/93/775318993.db2.gz POFQRLRQMNKHDU-NXEZZACHSA-N 0 3 280.332 -1.177 20 0 CAADHN C[C@@H](C(N)=O)N1CCC(CCNC(=O)C(N)=O)CC1 ZINC001267946013 775319076 /nfs/dbraw/zinc/31/90/76/775319076.db2.gz GNDKLFIUNWSILU-QMMMGPOBSA-N 0 3 270.333 -1.436 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1COCCN1C)C(N)=O ZINC001125945826 775322108 /nfs/dbraw/zinc/32/21/08/775322108.db2.gz PSDQKLHLWGKAOL-IUCAKERBSA-N 0 3 258.322 -2.103 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1COCCN1C)C(N)=O ZINC001125945105 775321887 /nfs/dbraw/zinc/32/18/87/775321887.db2.gz IWEPRSJQWMHEOU-NXEZZACHSA-N 0 3 272.349 -1.713 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1COCCN1C)C(=O)NC1CC1 ZINC001125947051 775321966 /nfs/dbraw/zinc/32/19/66/775321966.db2.gz ZSHVNSXNULKZTC-PWSUYJOCSA-N 0 3 298.387 -1.310 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1COCCN1C ZINC001125946024 775322132 /nfs/dbraw/zinc/32/21/32/775322132.db2.gz RBIUUYZFGGZOFA-ZJUUUORDSA-N 0 3 272.349 -1.843 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1COCCN1C)C(=O)NC1CC1 ZINC001125947052 775322453 /nfs/dbraw/zinc/32/24/53/775322453.db2.gz ZSHVNSXNULKZTC-ZYHUDNBSSA-N 0 3 298.387 -1.310 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1COCCN1C)C(=O)NC1CC1 ZINC001125947050 775322506 /nfs/dbraw/zinc/32/25/06/775322506.db2.gz ZSHVNSXNULKZTC-JQWIXIFHSA-N 0 3 298.387 -1.310 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2COCCN2C)C1=O ZINC001125945537 775322555 /nfs/dbraw/zinc/32/25/55/775322555.db2.gz NXGIRQIZFWHWAY-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2COCCN2C)C1=O ZINC001125946403 775322639 /nfs/dbraw/zinc/32/26/39/775322639.db2.gz UTWPZSFMDJFCJB-WDEREUQCSA-N 0 3 284.360 -1.747 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001125945803 775322761 /nfs/dbraw/zinc/32/27/61/775322761.db2.gz PIDWLDGWQBZMPB-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2COCCN2C)C1=O ZINC001125946402 775322862 /nfs/dbraw/zinc/32/28/62/775322862.db2.gz UTWPZSFMDJFCJB-QWRGUYRKSA-N 0 3 284.360 -1.747 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1COCCN1C)C(N)=O ZINC001125945824 775322955 /nfs/dbraw/zinc/32/29/55/775322955.db2.gz PSDQKLHLWGKAOL-BDAKNGLRSA-N 0 3 258.322 -2.103 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1COCCN1C ZINC001125946023 775323140 /nfs/dbraw/zinc/32/31/40/775323140.db2.gz RBIUUYZFGGZOFA-VHSXEESVSA-N 0 3 272.349 -1.843 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)CNC(=O)C2CC2)C1)C(N)=O ZINC001207514712 775323795 /nfs/dbraw/zinc/32/37/95/775323795.db2.gz KGWJTTRQNVOYAU-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001126007100 775340997 /nfs/dbraw/zinc/34/09/97/775340997.db2.gz HUQBMTSOJSRLEB-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1COCCN1C)C1CC1 ZINC001125950851 775324722 /nfs/dbraw/zinc/32/47/22/775324722.db2.gz ALVLPRKWSDHXJU-GFCCVEGCSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H](O)CN1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600091 775325936 /nfs/dbraw/zinc/32/59/36/775325936.db2.gz GGMYEMISODMNJZ-ZJUUUORDSA-N 0 3 282.348 -1.120 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@H]1COCCN1C ZINC001125955598 775326163 /nfs/dbraw/zinc/32/61/63/775326163.db2.gz AGEOSKIQOQWHJQ-GFCCVEGCSA-N 0 3 281.360 -1.044 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001125955679 775326934 /nfs/dbraw/zinc/32/69/34/775326934.db2.gz CFOZKOFECKNUQJ-GFCCVEGCSA-N 0 3 298.387 -1.451 20 0 CAADHN C[C@H](O)CN1C[C@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600086 775327022 /nfs/dbraw/zinc/32/70/22/775327022.db2.gz GGMYEMISODMNJZ-UWVGGRQHSA-N 0 3 282.348 -1.120 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)COC(C)(C)C ZINC001125955677 775327042 /nfs/dbraw/zinc/32/70/42/775327042.db2.gz CFIOPRUIFQUIRP-UHFFFAOYSA-N 0 3 288.348 -1.037 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1COCCN1C ZINC001125956275 775327396 /nfs/dbraw/zinc/32/73/96/775327396.db2.gz HZMOOYKAEIEGAC-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@H](O)CN1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600089 775327530 /nfs/dbraw/zinc/32/75/30/775327530.db2.gz GGMYEMISODMNJZ-VHSXEESVSA-N 0 3 282.348 -1.120 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1COCCN1C ZINC001125961114 775327918 /nfs/dbraw/zinc/32/79/18/775327918.db2.gz QWALIFDJMPKQNM-SNVBAGLBSA-N 0 3 272.349 -1.889 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1COCCN1C ZINC001125961470 775327989 /nfs/dbraw/zinc/32/79/89/775327989.db2.gz VKDMFSAWSOGHRA-SNVBAGLBSA-N 0 3 272.349 -1.841 20 0 CAADHN CN1CCOC[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001125960677 775328277 /nfs/dbraw/zinc/32/82/77/775328277.db2.gz NNVBWRZAUCIMSO-NSHDSACASA-N 0 3 284.360 -1.699 20 0 CAADHN CN1CCOC[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001125956871 775328409 /nfs/dbraw/zinc/32/84/09/775328409.db2.gz QACOUXMBGJFRIZ-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@@H]2COCCN2C)C1=O ZINC001125960414 775328528 /nfs/dbraw/zinc/32/85/28/775328528.db2.gz JKKBVGCPCVAEPE-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN COCCN(CC(=O)N(C)C)S(=O)(=O)C1CNC1 ZINC000722242093 775355384 /nfs/dbraw/zinc/35/53/84/775355384.db2.gz XOSQAJJHTUQTLW-UHFFFAOYSA-N 0 3 279.362 -1.675 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@@H]2COCCN2C)C1=O ZINC001125960412 775329116 /nfs/dbraw/zinc/32/91/16/775329116.db2.gz JKKBVGCPCVAEPE-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@@H]1COCCN1C ZINC001125956592 775329182 /nfs/dbraw/zinc/32/91/82/775329182.db2.gz LQHLOQHDBWQBEG-LBPRGKRZSA-N 0 3 281.360 -1.044 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@H]2COCCN2C)C1=O ZINC001125960415 775329292 /nfs/dbraw/zinc/32/92/92/775329292.db2.gz JKKBVGCPCVAEPE-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1COCCN1C ZINC001125960857 775329374 /nfs/dbraw/zinc/32/93/74/775329374.db2.gz PVLMYUFBEZZXLP-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1COCCN1C ZINC001125961113 775329483 /nfs/dbraw/zinc/32/94/83/775329483.db2.gz QWALIFDJMPKQNM-JTQLQIEISA-N 0 3 272.349 -1.889 20 0 CAADHN CN1CCOC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001125960793 775329651 /nfs/dbraw/zinc/32/96/51/775329651.db2.gz OLZIDUSHYKWVPQ-QWRGUYRKSA-N 0 3 284.360 -1.699 20 0 CAADHN CCNC(=O)CC(=O)NCCNCC(=O)N1CCC1 ZINC001126002598 775337266 /nfs/dbraw/zinc/33/72/66/775337266.db2.gz JYOUOEVLFZFYMG-UHFFFAOYSA-N 0 3 270.333 -1.549 20 0 CAADHN CCNC(=O)CC(=O)NCCNCC(=O)NC(N)=O ZINC001126003454 775338700 /nfs/dbraw/zinc/33/87/00/775338700.db2.gz WWIDQFBJSHFKMI-UHFFFAOYSA-N 0 3 273.293 -2.587 20 0 CAADHN CCNC(=O)CC(=O)NCCNCC(=O)NCC1CC1 ZINC001126002661 775338904 /nfs/dbraw/zinc/33/89/04/775338904.db2.gz MOIUNMJWCYANQO-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN CNC(=O)CCCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001126021413 775339230 /nfs/dbraw/zinc/33/92/30/775339230.db2.gz KFKWWGRRJDKYHW-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NC ZINC001126007164 775339560 /nfs/dbraw/zinc/33/95/60/775339560.db2.gz IYZQZNWOKVAYNO-QMMMGPOBSA-N 0 3 258.322 -1.647 20 0 CAADHN CNC(=O)CCCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001126015953 775339667 /nfs/dbraw/zinc/33/96/67/775339667.db2.gz YUBGOKQAYMDPBZ-SNVBAGLBSA-N 0 3 284.360 -1.113 20 0 CAADHN CC[C@H](NCCNC(=O)CCCC(=O)NC)C(N)=O ZINC001126015811 775339770 /nfs/dbraw/zinc/33/97/70/775339770.db2.gz SZLCDASVBAYRND-VIFPVBQESA-N 0 3 272.349 -1.128 20 0 CAADHN CNC(=O)CCCC(=O)NCCN[C@H]1CCNC1=O ZINC001126015844 775339948 /nfs/dbraw/zinc/33/99/48/775339948.db2.gz VAARSFJQXJYAMI-VIFPVBQESA-N 0 3 270.333 -1.503 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001126007101 775339994 /nfs/dbraw/zinc/33/99/94/775339994.db2.gz HUQBMTSOJSRLEB-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CNC(=O)CCCC(=O)NCCNCC(=O)NC ZINC001126011905 775340151 /nfs/dbraw/zinc/34/01/51/775340151.db2.gz RDYYAIIIHYDRPE-UHFFFAOYSA-N 0 3 258.322 -1.646 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001126006871 775340331 /nfs/dbraw/zinc/34/03/31/775340331.db2.gz BPLQSZAKDDDVER-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN Cc1nn(C)cc1CNCCNC(=O)CN1CN=NC1=O ZINC001126021207 775340583 /nfs/dbraw/zinc/34/05/83/775340583.db2.gz INDUBVQKRWBHLG-UHFFFAOYSA-N 0 3 293.331 -1.068 20 0 CAADHN CNC(=O)CCCC(=O)NCCNCC(=O)NC1CC1 ZINC001126015864 775340653 /nfs/dbraw/zinc/34/06/53/775340653.db2.gz VPWNYIGLPVQNKM-UHFFFAOYSA-N 0 3 284.360 -1.113 20 0 CAADHN CNC(=O)CCCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001126021414 775340746 /nfs/dbraw/zinc/34/07/46/775340746.db2.gz KFKWWGRRJDKYHW-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CC[C@@H](NCCNC(=O)CCCC(=O)NC)C(N)=O ZINC001126015810 775340818 /nfs/dbraw/zinc/34/08/18/775340818.db2.gz SZLCDASVBAYRND-SECBINFHSA-N 0 3 272.349 -1.128 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001126011598 775340956 /nfs/dbraw/zinc/34/09/56/775340956.db2.gz JFPRVUMDXCVKPE-VIFPVBQESA-N 0 3 284.360 -1.115 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001126011583 775341029 /nfs/dbraw/zinc/34/10/29/775341029.db2.gz IPYNIKDETHVHTC-ZETCQYMHSA-N 0 3 287.320 -2.198 20 0 CAADHN CCNC(=O)CC(=O)NCCNCCNS(C)(=O)=O ZINC001126007867 775341105 /nfs/dbraw/zinc/34/11/05/775341105.db2.gz SFHLAQHGLNMHBV-UHFFFAOYSA-N 0 3 294.377 -2.232 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126027295 775341349 /nfs/dbraw/zinc/34/13/49/775341349.db2.gz OHJNMDCCKLHGOV-SECBINFHSA-N 0 3 298.347 -1.396 20 0 CAADHN O=C(CN1CN=NC1=O)NCCNCC(=O)N1CCCC1 ZINC001126021486 775341633 /nfs/dbraw/zinc/34/16/33/775341633.db2.gz NAZFTSWXVNLDKF-UHFFFAOYSA-N 0 3 296.331 -1.688 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CN2CN=NC2=O)C1=O ZINC001126027795 775341660 /nfs/dbraw/zinc/34/16/60/775341660.db2.gz WMYJEKZFUJACDA-VIFPVBQESA-N 0 3 296.331 -1.690 20 0 CAADHN C[C@H](NCCNC(=O)CN1CN=NC1=O)C(N)=O ZINC001126027041 775341843 /nfs/dbraw/zinc/34/18/43/775341843.db2.gz MWOKLUGEUBKIFC-LURJTMIESA-N 0 3 256.266 -2.437 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1CN=NC1=O ZINC001126027045 775341932 /nfs/dbraw/zinc/34/19/32/775341932.db2.gz MZAWDVSCZGYRMD-SSDOTTSWSA-N 0 3 270.293 -2.176 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126026727 775342263 /nfs/dbraw/zinc/34/22/63/775342263.db2.gz GDTDEEPJXDMDHI-UHFFFAOYSA-N 0 3 285.264 -3.116 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126027276 775342230 /nfs/dbraw/zinc/34/22/30/775342230.db2.gz NNUIQXIJBBIQTE-UHFFFAOYSA-N 0 3 284.320 -1.786 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126026760 775342412 /nfs/dbraw/zinc/34/24/12/775342412.db2.gz HBTJZXAFUOWYQG-UHFFFAOYSA-N 0 3 298.347 -1.442 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126028089 775342436 /nfs/dbraw/zinc/34/24/36/775342436.db2.gz YCBAZJZCVXCJDZ-UHFFFAOYSA-N 0 3 284.320 -1.784 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CN2CN=NC2=O)C1=O ZINC001126027793 775342668 /nfs/dbraw/zinc/34/26/68/775342668.db2.gz WMYJEKZFUJACDA-SECBINFHSA-N 0 3 296.331 -1.690 20 0 CAADHN O=C(CN1CN=NC1=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126027365 775343130 /nfs/dbraw/zinc/34/31/30/775343130.db2.gz PWSQZYFFUDAGJM-SSDOTTSWSA-N 0 3 296.287 -2.505 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CN=NC1=O)C(=O)NC1CC1 ZINC001126031712 775343540 /nfs/dbraw/zinc/34/35/40/775343540.db2.gz AQKJIKHYBZXZSS-MRVPVSSYSA-N 0 3 296.331 -1.643 20 0 CAADHN COc1cc(C(=O)NCCN[C@H]2CCNC2=O)on1 ZINC001126037086 775343686 /nfs/dbraw/zinc/34/36/86/775343686.db2.gz PCVZODWCQPMQCD-ZETCQYMHSA-N 0 3 268.273 -1.109 20 0 CAADHN CCCC[C@H](NCCNC(=O)CN1CN=NC1=O)C(N)=O ZINC001126032006 775343913 /nfs/dbraw/zinc/34/39/13/775343913.db2.gz FODWOPFMDCCTEP-VIFPVBQESA-N 0 3 298.347 -1.266 20 0 CAADHN C[C@H](NCCNC(=O)CN1CN=NC1=O)C(=O)NC(N)=O ZINC001126033123 775344154 /nfs/dbraw/zinc/34/41/54/775344154.db2.gz OEVOCGKXJLXYEB-LURJTMIESA-N 0 3 299.291 -2.727 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)CN1CN=NC1=O ZINC001126031865 775344204 /nfs/dbraw/zinc/34/42/04/775344204.db2.gz FISNWUKIGILYFU-SECBINFHSA-N 0 3 298.347 -1.396 20 0 CAADHN COc1cc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)on1 ZINC001126037083 775344318 /nfs/dbraw/zinc/34/43/18/775344318.db2.gz PBNRUNWXUNGMOP-ZCFIWIBFSA-N 0 3 299.287 -1.414 20 0 CAADHN COc1cc(C(=O)NCCN[C@H](C)C(N)=O)on1 ZINC001126037537 775345088 /nfs/dbraw/zinc/34/50/88/775345088.db2.gz VUPARUPDDQCUNM-ZCFIWIBFSA-N 0 3 256.262 -1.124 20 0 CAADHN Cn1ncc(C(=O)NCCNCC(=O)N2CCC2)c1N ZINC001126087103 775345839 /nfs/dbraw/zinc/34/58/39/775345839.db2.gz VCIWHQMCSWLGKP-UHFFFAOYSA-N 0 3 280.332 -1.446 20 0 CAADHN COc1cc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)on1 ZINC001126074570 775345970 /nfs/dbraw/zinc/34/59/70/775345970.db2.gz ZNLJQOKFLTUZGO-SSDOTTSWSA-N 0 3 296.283 -1.192 20 0 CAADHN CN(C(=O)CNCCNC(=O)c1cnn(C)c1N)C1CC1 ZINC001126087012 775346174 /nfs/dbraw/zinc/34/61/74/775346174.db2.gz STJBBFINSDNBJS-UHFFFAOYSA-N 0 3 294.359 -1.058 20 0 CAADHN CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000722215864 775346477 /nfs/dbraw/zinc/34/64/77/775346477.db2.gz HOJADKJQKRWHSF-VIFPVBQESA-N 0 3 261.347 -1.159 20 0 CAADHN CC(C)(CNS(=O)(=O)C1CNC1)N1CCOCC1 ZINC000722220590 775346681 /nfs/dbraw/zinc/34/66/81/775346681.db2.gz ZHZMRHFNDANDBB-UHFFFAOYSA-N 0 3 277.390 -1.012 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn(C)c1N ZINC001126086787 775346809 /nfs/dbraw/zinc/34/68/09/775346809.db2.gz OMADKCFAKGKCHP-UHFFFAOYSA-N 0 3 254.294 -1.932 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cncnc1 ZINC001126094004 775347350 /nfs/dbraw/zinc/34/73/50/775347350.db2.gz ZWDOJAUYBYSNMP-UHFFFAOYSA-N 0 3 294.315 -1.358 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnn(C)c1N ZINC001126099546 775347760 /nfs/dbraw/zinc/34/77/60/775347760.db2.gz RQMKWTBKGSRRDJ-ZETCQYMHSA-N 0 3 268.321 -1.544 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@H]2CCCN(C)C2=O)c1N ZINC001126099263 775347861 /nfs/dbraw/zinc/34/78/61/775347861.db2.gz JWYSPTCIFWNNFU-JTQLQIEISA-N 0 3 294.359 -1.058 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cncnc1 ZINC001126093724 775347980 /nfs/dbraw/zinc/34/79/80/775347980.db2.gz LVJPQGSPHMWKBL-UHFFFAOYSA-N 0 3 280.288 -1.748 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cncnc1 ZINC001126104586 775348029 /nfs/dbraw/zinc/34/80/29/775348029.db2.gz USFXKXISRALSTJ-QMMMGPOBSA-N 0 3 251.290 -1.070 20 0 CAADHN O=C(Cc1nnc[n-]1)NCC1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC001100850273 775348496 /nfs/dbraw/zinc/34/84/96/775348496.db2.gz XZKRWZZTBITNHT-UDNWOFFPSA-N 0 3 292.343 -1.280 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@@H]2CCCNC2=O)c1N ZINC001126099501 775348588 /nfs/dbraw/zinc/34/85/88/775348588.db2.gz PVAQXWFOUCXHSE-SECBINFHSA-N 0 3 280.332 -1.400 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn(C)c1N)C(=O)N(C)C ZINC001126099296 775348785 /nfs/dbraw/zinc/34/87/85/775348785.db2.gz LCWZNXDJSVQWJF-QMMMGPOBSA-N 0 3 282.348 -1.202 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)c1N ZINC001126099545 775348837 /nfs/dbraw/zinc/34/88/37/775348837.db2.gz RQMKWTBKGSRRDJ-SSDOTTSWSA-N 0 3 268.321 -1.544 20 0 CAADHN O=C(CNCCNC(=O)c1cncnc1)N1CCOCC1 ZINC001126093328 775348862 /nfs/dbraw/zinc/34/88/62/775348862.db2.gz BZNBSHBHJXHETG-UHFFFAOYSA-N 0 3 293.327 -1.345 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn(C)c1N)C(=O)NC(N)=O ZINC001126093780 775349110 /nfs/dbraw/zinc/34/91/10/775349110.db2.gz NVBRFFIBDQPKOX-ZCFIWIBFSA-N 0 3 297.319 -2.095 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cncnc1 ZINC001126104057 775349266 /nfs/dbraw/zinc/34/92/66/775349266.db2.gz JHLQPWFTESYRTO-SECBINFHSA-N 0 3 277.284 -1.399 20 0 CAADHN C[C@H](NCCNC(=O)c1cncnc1)C(=O)NC(N)=O ZINC001126119506 775350171 /nfs/dbraw/zinc/35/01/71/775350171.db2.gz VFBACOXQTPBTBP-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN O=C(CNCCNC(=O)C1=CCOCC1)N1CCOCC1 ZINC001126115386 775350827 /nfs/dbraw/zinc/35/08/27/775350827.db2.gz YSIQQPXLQXLRJH-UHFFFAOYSA-N 0 3 297.355 -1.102 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)C1=CCOCC1 ZINC001126114337 775350944 /nfs/dbraw/zinc/35/09/44/775350944.db2.gz IRHLJQRJOPWNHO-UHFFFAOYSA-N 0 3 298.343 -1.115 20 0 CAADHN C[C@@H](NCCNC(=O)c1cncnc1)C(=O)NC(N)=O ZINC001126119505 775350992 /nfs/dbraw/zinc/35/09/92/775350992.db2.gz VFBACOXQTPBTBP-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1ccoc1 ZINC001126133829 775351730 /nfs/dbraw/zinc/35/17/30/775351730.db2.gz BDOHVRDJAOMGAW-UHFFFAOYSA-N 0 3 268.273 -1.277 20 0 CAADHN CNC(=O)CC(=O)NCCNCCNS(C)(=O)=O ZINC001126153565 775353003 /nfs/dbraw/zinc/35/30/03/775353003.db2.gz IXNCWCDZBDDYQX-UHFFFAOYSA-N 0 3 280.350 -2.623 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001126153752 775353047 /nfs/dbraw/zinc/35/30/47/775353047.db2.gz MGPCHROUEUXCNY-QMMMGPOBSA-N 0 3 256.306 -1.941 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NC(C)C ZINC001126161044 775353389 /nfs/dbraw/zinc/35/33/89/775353389.db2.gz BZJXQQNSBSOKKN-UHFFFAOYSA-N 0 3 258.322 -1.647 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@H]1CCN(C(C)C)C1=O ZINC001126159915 775353826 /nfs/dbraw/zinc/35/38/26/775353826.db2.gz VPQLEIHWXREUMB-JTQLQIEISA-N 0 3 284.360 -1.162 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)CC(=O)NC ZINC001126159756 775354185 /nfs/dbraw/zinc/35/41/85/775354185.db2.gz PRSOOYULWHUGEE-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)CC(=O)NC ZINC001126161043 775354229 /nfs/dbraw/zinc/35/42/29/775354229.db2.gz BTDKROSJRQFNHE-UHFFFAOYSA-N 0 3 287.320 -2.326 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001126160096 775354328 /nfs/dbraw/zinc/35/43/28/775354328.db2.gz YQGWWTWFBYMJPT-MRVPVSSYSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001126161400 775354354 /nfs/dbraw/zinc/35/43/54/775354354.db2.gz KKZQIPZGAXBZEA-UHFFFAOYSA-N 0 3 298.265 -1.493 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)CC(=O)NC ZINC001126159757 775354434 /nfs/dbraw/zinc/35/44/34/775354434.db2.gz PRSOOYULWHUGEE-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001126159961 775354891 /nfs/dbraw/zinc/35/48/91/775354891.db2.gz XCEKKHURYWUBMN-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)N1CCCC1 ZINC001126159947 775354984 /nfs/dbraw/zinc/35/49/84/775354984.db2.gz WNYSFNQVJDTLOK-UHFFFAOYSA-N 0 3 270.333 -1.549 20 0 CAADHN CNC(=O)CC(=O)NCCNCc1cnn(C)c1 ZINC001126162011 775355831 /nfs/dbraw/zinc/35/58/31/775355831.db2.gz XACNTBIRJONFPD-UHFFFAOYSA-N 0 3 253.306 -1.238 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001126162073 775356104 /nfs/dbraw/zinc/35/61/04/775356104.db2.gz YBZWLYBJFJDVLQ-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN Cc1nc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)co1 ZINC001126180253 775356491 /nfs/dbraw/zinc/35/64/91/775356491.db2.gz YYRUWHCPPLCUDI-ZCFIWIBFSA-N 0 3 283.288 -1.114 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001126170392 775356526 /nfs/dbraw/zinc/35/65/26/775356526.db2.gz ZMMLZYIPDBWGAD-LLVKDONJSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001126170393 775356552 /nfs/dbraw/zinc/35/65/52/775356552.db2.gz ZMMLZYIPDBWGAD-NSHDSACASA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001126170117 775356744 /nfs/dbraw/zinc/35/67/44/775356744.db2.gz VQVYDNKVRBIBPA-MRVPVSSYSA-N 0 3 256.306 -1.893 20 0 CAADHN COC(=O)[C@@H]1COCCN1S(=O)(=O)C1CNC1 ZINC000722248821 775356946 /nfs/dbraw/zinc/35/69/46/775356946.db2.gz LNFKLKFFWRCATR-QMMMGPOBSA-N 0 3 264.303 -1.838 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001126175452 775357026 /nfs/dbraw/zinc/35/70/26/775357026.db2.gz UAFJALMUPRDOCH-QMMMGPOBSA-N 0 3 258.322 -1.695 20 0 CAADHN CCn1nccc1C(=O)NCCNCC(=O)NC(=O)NC ZINC001126185197 775357846 /nfs/dbraw/zinc/35/78/46/775357846.db2.gz XWDQZGAYAPPYNA-UHFFFAOYSA-N 0 3 296.331 -1.322 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001126194372 775358508 /nfs/dbraw/zinc/35/85/08/775358508.db2.gz HZCOHKXRSHUBNA-BDAKNGLRSA-N 0 3 299.375 -1.336 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H](C)NC(N)=O)C1=O ZINC001126196107 775358980 /nfs/dbraw/zinc/35/89/80/775358980.db2.gz YRXXCXIZKMDARJ-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](OCC(=O)NCCNCC(N)=O)c1nccn1C ZINC001149288026 775359177 /nfs/dbraw/zinc/35/91/77/775359177.db2.gz VJBKKUOPFRCXIS-VIFPVBQESA-N 0 3 283.332 -1.311 20 0 CAADHN NC(=O)NCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149136522 775359730 /nfs/dbraw/zinc/35/97/30/775359730.db2.gz IUKATURFOWNWJK-SECBINFHSA-N 0 3 274.321 -2.146 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCc1cncn1C ZINC001126199363 775360182 /nfs/dbraw/zinc/36/01/82/775360182.db2.gz RFVXBKXNDZEPLZ-QMMMGPOBSA-N 0 3 268.321 -1.317 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)NC(N)=O ZINC001126199575 775360414 /nfs/dbraw/zinc/36/04/14/775360414.db2.gz WCHIWQHMVGSVAI-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)NC(N)=O)C(=O)NC(N)=O ZINC001126199011 775360618 /nfs/dbraw/zinc/36/06/18/775360618.db2.gz JWYLIMBTGZYENL-WDSKDSINSA-N 0 3 288.308 -2.668 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H](C)NC(N)=O ZINC001126198755 775360773 /nfs/dbraw/zinc/36/07/73/775360773.db2.gz HWSVTSPOHKPKLE-QMMMGPOBSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)NC(N)=O)C(=O)NC(N)=O ZINC001126199010 775361096 /nfs/dbraw/zinc/36/10/96/775361096.db2.gz JWYLIMBTGZYENL-RITPCOANSA-N 0 3 288.308 -2.668 20 0 CAADHN CN(C)C(=O)CC(=O)NCCCNCc1cnnn1C ZINC001167788764 775361297 /nfs/dbraw/zinc/36/12/97/775361297.db2.gz ORRNZRFHNDIAIV-UHFFFAOYSA-N 0 3 282.348 -1.111 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)NC1CCCC1 ZINC001126204126 775361880 /nfs/dbraw/zinc/36/18/80/775361880.db2.gz JFQRWHUHJGIAGW-VIFPVBQESA-N 0 3 299.375 -1.192 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)[C@H](C)NC(N)=O ZINC001126204717 775362198 /nfs/dbraw/zinc/36/21/98/775362198.db2.gz WCRIZZTXQHGVGU-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN[C@H]1CCCNC1=O ZINC001126204530 775362501 /nfs/dbraw/zinc/36/25/01/775362501.db2.gz PRNUXOXADCHWQI-YUMQZZPRSA-N 0 3 271.321 -1.972 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](C)NC(N)=O ZINC001126203929 775362916 /nfs/dbraw/zinc/36/29/16/775362916.db2.gz CAUBEQRNTMWFJU-ZETCQYMHSA-N 0 3 259.310 -2.115 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H](C)NC(N)=O ZINC001126204716 775363070 /nfs/dbraw/zinc/36/30/70/775363070.db2.gz WCRIZZTXQHGVGU-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@@H]1COCCO1 ZINC001027766720 775363618 /nfs/dbraw/zinc/36/36/18/775363618.db2.gz UYXYZTLBTJVEMH-QWRGUYRKSA-N 0 3 258.318 -1.025 20 0 CAADHN CCNC(=O)CNCCNC(=O)CC1OCCCO1 ZINC001126225113 775365538 /nfs/dbraw/zinc/36/55/38/775365538.db2.gz RTPDLEVCIGOVMX-UHFFFAOYSA-N 0 3 273.333 -1.019 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CC1OCCCO1 ZINC001126227767 775366082 /nfs/dbraw/zinc/36/60/82/775366082.db2.gz JKISSBZDPWNAEA-SECBINFHSA-N 0 3 273.333 -1.020 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CC1OCCCO1 ZINC001126224107 775366297 /nfs/dbraw/zinc/36/62/97/775366297.db2.gz HHDKVKSQCKQJHQ-UHFFFAOYSA-N 0 3 273.333 -1.067 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CC1OCCCO1 ZINC001126227769 775366824 /nfs/dbraw/zinc/36/68/24/775366824.db2.gz JKISSBZDPWNAEA-VIFPVBQESA-N 0 3 273.333 -1.020 20 0 CAADHN CNC(=O)CNCCNC(=O)CC1OCCCO1 ZINC001126224041 775367023 /nfs/dbraw/zinc/36/70/23/775367023.db2.gz GEGAZOBFELOGKF-UHFFFAOYSA-N 0 3 259.306 -1.409 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CC1OCCCO1 ZINC001126224809 775367042 /nfs/dbraw/zinc/36/70/42/775367042.db2.gz NVNMBMLMVGNZSJ-UHFFFAOYSA-N 0 3 288.304 -1.960 20 0 CAADHN O=C(CCn1ccnn1)NCCN[C@@H]1CCNC1=O ZINC001126270222 775367613 /nfs/dbraw/zinc/36/76/13/775367613.db2.gz CMBFZZXJQIBVGE-SECBINFHSA-N 0 3 266.305 -1.738 20 0 CAADHN CN(C(=O)CNCCNC(=O)CCn1ccnn1)C1CC1 ZINC001126270254 775367896 /nfs/dbraw/zinc/36/78/96/775367896.db2.gz DVEBJAWBYKDFBB-UHFFFAOYSA-N 0 3 294.359 -1.005 20 0 CAADHN O=C(CCn1ccnn1)NCCNCC(=O)N1CCCC1 ZINC001126270325 775368032 /nfs/dbraw/zinc/36/80/32/775368032.db2.gz HVUBJJQRBSAFCL-UHFFFAOYSA-N 0 3 294.359 -1.004 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCn1ccnn1 ZINC001126270329 775368199 /nfs/dbraw/zinc/36/81/99/775368199.db2.gz IALIJIDKDSURBG-UHFFFAOYSA-N 0 3 268.321 -1.538 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)cnn1 ZINC001126255047 775368938 /nfs/dbraw/zinc/36/89/38/775368938.db2.gz LTDGIJAJZSTLJB-SNVBAGLBSA-N 0 3 291.311 -1.090 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CCn2ccnn2)C1=O ZINC001126281492 775369357 /nfs/dbraw/zinc/36/93/57/775369357.db2.gz KUMYIUDGMQGYDN-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CNC(C)=O ZINC001268052096 775369484 /nfs/dbraw/zinc/36/94/84/775369484.db2.gz YVEAYSPDGBXCTO-MRVPVSSYSA-N 0 3 258.322 -1.695 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CCn2ccnn2)C1=O ZINC001126281937 775369521 /nfs/dbraw/zinc/36/95/21/775369521.db2.gz WDHYXTYGJYFNCL-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN C[C@H](NCCNC(=O)CCn1ccnn1)C(=O)N(C)C ZINC001126281675 775369585 /nfs/dbraw/zinc/36/95/85/775369585.db2.gz OPPJMFWAOVARMF-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN CC[C@@H](NCCNC(=O)CCn1ccnn1)C(N)=O ZINC001126281332 775369754 /nfs/dbraw/zinc/36/97/54/775369754.db2.gz HLHSHTJJKQGLBW-SECBINFHSA-N 0 3 268.321 -1.362 20 0 CAADHN O=C(CCn1ccnn1)NCCNCC(=O)NC1CC1 ZINC001126270635 775369938 /nfs/dbraw/zinc/36/99/38/775369938.db2.gz WSQQIPPTKVFTGP-UHFFFAOYSA-N 0 3 280.332 -1.347 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)CC(N)=O ZINC001268057573 775370036 /nfs/dbraw/zinc/37/00/36/775370036.db2.gz ZHXLYWLVPQMFQB-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CCn1ccnn1 ZINC001126270560 775370280 /nfs/dbraw/zinc/37/02/80/775370280.db2.gz RYROUUHBOPPFSL-UHFFFAOYSA-N 0 3 282.348 -1.101 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCn1ccnn1 ZINC001126281958 775370461 /nfs/dbraw/zinc/37/04/61/775370461.db2.gz WZNRQQVDPBOZAY-VIFPVBQESA-N 0 3 268.321 -1.492 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1ccnn1)C(=O)NC(N)=O ZINC001126281089 775370945 /nfs/dbraw/zinc/37/09/45/775370945.db2.gz BYDIVFQXPOTGLF-MRVPVSSYSA-N 0 3 297.319 -2.043 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCn1ccnn1 ZINC001126270480 775371077 /nfs/dbraw/zinc/37/10/77/775371077.db2.gz OJMKOIIZTUWSRQ-UHFFFAOYSA-N 0 3 297.319 -2.170 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001268069219 775371890 /nfs/dbraw/zinc/37/18/90/775371890.db2.gz QMHCRABIRLKDFV-SSDOTTSWSA-N 0 3 267.289 -1.282 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001126287443 775371915 /nfs/dbraw/zinc/37/19/15/775371915.db2.gz JJSNUOHWKSSYHW-JTQLQIEISA-N 0 3 268.317 -1.941 20 0 CAADHN CCNC(=O)CC(=O)N(C)[C@@H](C)CN[C@@H]1CCNC1=O ZINC001268062136 775371965 /nfs/dbraw/zinc/37/19/65/775371965.db2.gz WNNLGOGIMGARQL-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001268064403 775372080 /nfs/dbraw/zinc/37/20/80/775372080.db2.gz QQCXZWKZQZORPB-AUTRQRHGSA-N 0 3 255.318 -1.055 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001126287102 775372143 /nfs/dbraw/zinc/37/21/43/775372143.db2.gz AEYQPMGEEVBWQY-SSDOTTSWSA-N 0 3 256.306 -1.956 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001268067121 775372217 /nfs/dbraw/zinc/37/22/17/775372217.db2.gz CHKGCULEZAHCDB-JGVFFNPUSA-N 0 3 272.349 -1.192 20 0 CAADHN CCNC(=O)CC(=O)N(C)[C@H](C)CN[C@H]1CCNC1=O ZINC001268062137 775372570 /nfs/dbraw/zinc/37/25/70/775372570.db2.gz WNNLGOGIMGARQL-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001268064406 775372735 /nfs/dbraw/zinc/37/27/35/775372735.db2.gz QQCXZWKZQZORPB-PTRXPTGYSA-N 0 3 255.318 -1.055 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C1CN(C(C)=O)C1 ZINC001126287373 775372752 /nfs/dbraw/zinc/37/27/52/775372752.db2.gz IHNMGSXOXFYFKK-UHFFFAOYSA-N 0 3 284.360 -1.351 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001126287329 775372805 /nfs/dbraw/zinc/37/28/05/775372805.db2.gz GICITKLLJKLQDC-NSHDSACASA-N 0 3 282.344 -1.551 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cc(=O)n(C)o1 ZINC001126291913 775373609 /nfs/dbraw/zinc/37/36/09/775373609.db2.gz GPBGVTFPOFGSAE-UHFFFAOYSA-N 0 3 270.289 -1.566 20 0 CAADHN CCNC(=O)CNCCNC(=O)C1CN(C(C)=O)C1 ZINC001126287997 775373748 /nfs/dbraw/zinc/37/37/48/775373748.db2.gz YAGQPFAKUSLALC-UHFFFAOYSA-N 0 3 270.333 -1.693 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001268080266 775373958 /nfs/dbraw/zinc/37/39/58/775373958.db2.gz HBNKVZMYHFBQBU-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1cc(=O)n(C)o1 ZINC001126292150 775374262 /nfs/dbraw/zinc/37/42/62/775374262.db2.gz MKKSAIBICHXFNC-UHFFFAOYSA-N 0 3 284.316 -1.176 20 0 CAADHN Cn1oc(C(=O)NCCN[C@H]2CCNC2=O)cc1=O ZINC001126291731 775374813 /nfs/dbraw/zinc/37/48/13/775374813.db2.gz BQLWFXLIEDSAMZ-ZETCQYMHSA-N 0 3 268.273 -1.814 20 0 CAADHN Cn1oc(C(=O)NCCNCC(=O)NC(N)=O)cc1=O ZINC001126292163 775375337 /nfs/dbraw/zinc/37/53/37/775375337.db2.gz MXBIKVMAUCHKTA-UHFFFAOYSA-N 0 3 285.260 -2.507 20 0 CAADHN CCS(=O)(=O)NCCNC[C@H](C)N(C)C(=O)C(N)=O ZINC001268080142 775375470 /nfs/dbraw/zinc/37/54/70/775375470.db2.gz HRSCDIJODXHECY-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc(=O)n(C)o1)C(=O)N(C)C ZINC001126297152 775375989 /nfs/dbraw/zinc/37/59/89/775375989.db2.gz GEVGPUHHKYHAJZ-MRVPVSSYSA-N 0 3 284.316 -1.226 20 0 CAADHN CC[C@H](NCCNC(=O)c1cc(=O)n(C)o1)C(N)=O ZINC001126297291 775376284 /nfs/dbraw/zinc/37/62/84/775376284.db2.gz LUKQYGAPLHXBGJ-ZETCQYMHSA-N 0 3 270.289 -1.438 20 0 CAADHN Cn1oc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)cc1=O ZINC001126297255 775376612 /nfs/dbraw/zinc/37/66/12/775376612.db2.gz KJZCNRXVPLCCPQ-ZETCQYMHSA-N 0 3 296.283 -1.897 20 0 CAADHN C[C@H](CNCCF)N(C)C(=O)CNS(=O)(=O)N(C)C ZINC001268085714 775376678 /nfs/dbraw/zinc/37/66/78/775376678.db2.gz IFHULNBALJYRDY-SECBINFHSA-N 0 3 298.384 -1.212 20 0 CAADHN Cn1oc(C(=O)NCCN[C@H]2CCCN(C)C2=O)cc1=O ZINC001126292600 775377023 /nfs/dbraw/zinc/37/70/23/775377023.db2.gz WLKDWJGCEQJTCG-VIFPVBQESA-N 0 3 296.327 -1.082 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cc(=O)n(C)o1)C(N)=O ZINC001126297290 775377309 /nfs/dbraw/zinc/37/73/09/775377309.db2.gz LUKQYGAPLHXBGJ-SSDOTTSWSA-N 0 3 270.289 -1.438 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CN1C(=O)CCC1=O ZINC001268093770 775378102 /nfs/dbraw/zinc/37/81/02/775378102.db2.gz CNSNODCTZWLWJE-VIFPVBQESA-N 0 3 298.343 -1.682 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCCC(N)=O ZINC001268099229 775378266 /nfs/dbraw/zinc/37/82/66/775378266.db2.gz ZKAOTQORYQJJJZ-QMMMGPOBSA-N 0 3 258.322 -1.436 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001126301777 775379399 /nfs/dbraw/zinc/37/93/99/775379399.db2.gz FVGIRJKGVVKGNA-ZETCQYMHSA-N 0 3 299.331 -2.246 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CN1C(=O)CCC1=O ZINC001268093703 775379484 /nfs/dbraw/zinc/37/94/84/775379484.db2.gz CNSNODCTZWLWJE-SECBINFHSA-N 0 3 298.343 -1.682 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C1 ZINC001126301776 775379609 /nfs/dbraw/zinc/37/96/09/775379609.db2.gz FVGIRJKGVVKGNA-SSDOTTSWSA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@@H]1CCCN(C(=O)CC(N)=O)[C@H]1CNCC(N)=O ZINC001268189389 775383518 /nfs/dbraw/zinc/38/35/18/775383518.db2.gz UWYAYLOAZFJFGE-BDAKNGLRSA-N 0 3 270.333 -1.436 20 0 CAADHN C[C@H]1OCCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001126332446 775384255 /nfs/dbraw/zinc/38/42/55/775384255.db2.gz GSRBFHTVXDXIEA-RKDXNWHRSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(N)=O)N[C@H](C)C(=O)NC1CC1 ZINC001268217358 775385225 /nfs/dbraw/zinc/38/52/25/775385225.db2.gz VHCWSQGLTAJEJN-PSASIEDQSA-N 0 3 284.360 -1.131 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1CCNC1=O ZINC001268245176 775385584 /nfs/dbraw/zinc/38/55/84/775385584.db2.gz MMSZEONYPRAWHZ-GHMZBOCLSA-N 0 3 287.360 -1.480 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001282186161 775386626 /nfs/dbraw/zinc/38/66/26/775386626.db2.gz STIMPUZYONRMQE-RNFRBKRXSA-N 0 3 269.305 -1.293 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)C(C)(C)C(N)=O ZINC001268241326 775386660 /nfs/dbraw/zinc/38/66/60/775386660.db2.gz LXYGRKDVIGXBAO-SNVBAGLBSA-N 0 3 289.376 -1.105 20 0 CAADHN COCCN(C)CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001268256102 775387935 /nfs/dbraw/zinc/38/79/35/775387935.db2.gz JGPQCFUMHXFWFP-UHFFFAOYSA-N 0 3 286.332 -1.425 20 0 CAADHN CS[C@@H](C)CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001268304236 775395251 /nfs/dbraw/zinc/39/52/51/775395251.db2.gz MDFARPOOTAJTRU-YUMQZZPRSA-N 0 3 263.363 -1.320 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001268306310 775398028 /nfs/dbraw/zinc/39/80/28/775398028.db2.gz WAKXPNDGFPXROL-NKWVEPMBSA-N 0 3 265.260 -1.546 20 0 CAADHN CC(C)NC(=O)CN1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001268266348 775390906 /nfs/dbraw/zinc/39/09/06/775390906.db2.gz LUVGCXVSAZFDJF-GHMZBOCLSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)NC(=O)CN1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001268266356 775391385 /nfs/dbraw/zinc/39/13/85/775391385.db2.gz LUVGCXVSAZFDJF-QWRGUYRKSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)=CC(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001268294122 775392022 /nfs/dbraw/zinc/39/20/22/775392022.db2.gz DJYVZACWZOVZKJ-MRVPVSSYSA-N 0 3 272.305 -1.786 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccc[nH]1)C(N)=O ZINC001268296812 775392357 /nfs/dbraw/zinc/39/23/57/775392357.db2.gz CZXJEXLGCJBJLW-IUCAKERBSA-N 0 3 268.317 -1.041 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001268296407 775392410 /nfs/dbraw/zinc/39/24/10/775392410.db2.gz PDQYHKBYCKAYSF-LLVKDONJSA-N 0 3 296.327 -1.864 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001268294276 775392538 /nfs/dbraw/zinc/39/25/38/775392538.db2.gz FQVURNWEUVBECM-SSDOTTSWSA-N 0 3 259.262 -2.573 20 0 CAADHN CCS(=O)(=O)NCCNC[C@@H](O)CNC(C)=O ZINC001268293652 775393243 /nfs/dbraw/zinc/39/32/43/775393243.db2.gz FTAPTJKABJAOQO-SECBINFHSA-N 0 3 267.351 -1.988 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cccnc1 ZINC001268294621 775393274 /nfs/dbraw/zinc/39/32/74/775393274.db2.gz IKIYVJHJIAMPEZ-SNVBAGLBSA-N 0 3 266.301 -1.492 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001268294430 775393321 /nfs/dbraw/zinc/39/33/21/775393321.db2.gz NMTHTOQBMURLCW-JTQLQIEISA-N 0 3 256.306 -1.367 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCC(=O)NC1=O)C1CCC1 ZINC001268295603 775393466 /nfs/dbraw/zinc/39/34/66/775393466.db2.gz VCDYYZVFRCVHAI-VHSXEESVSA-N 0 3 283.328 -1.342 20 0 CAADHN CS[C@H](C)CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001268304235 775394064 /nfs/dbraw/zinc/39/40/64/775394064.db2.gz MDFARPOOTAJTRU-SFYZADRCSA-N 0 3 263.363 -1.320 20 0 CAADHN CS[C@H](C)CC(=O)NC[C@H](O)CNCC(N)=O ZINC001268304232 775394166 /nfs/dbraw/zinc/39/41/66/775394166.db2.gz MDFARPOOTAJTRU-HTQZYQBOSA-N 0 3 263.363 -1.320 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)/C=C\c1ccc[nH]1 ZINC001268304539 775394185 /nfs/dbraw/zinc/39/41/85/775394185.db2.gz OCNORHWFFYSTDN-DOGVGXBMSA-N 0 3 280.328 -1.159 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1cccnc1 ZINC001268302561 775394453 /nfs/dbraw/zinc/39/44/53/775394453.db2.gz SJAYQYQKGJOOIO-JTQLQIEISA-N 0 3 266.301 -1.824 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)C(=O)C(C)(C)C)C1=O ZINC001268300622 775394576 /nfs/dbraw/zinc/39/45/76/775394576.db2.gz VPWXGZOUMXSWAH-VHSXEESVSA-N 0 3 299.371 -1.101 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)C(=O)C(C)(C)C)C1=O ZINC001268300618 775394728 /nfs/dbraw/zinc/39/47/28/775394728.db2.gz VPWXGZOUMXSWAH-UWVGGRQHSA-N 0 3 299.371 -1.101 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H](O)CNCc1ccnn1C ZINC001268304559 775394911 /nfs/dbraw/zinc/39/49/11/775394911.db2.gz OMRTXBFXOPXMDP-LLVKDONJSA-N 0 3 297.359 -1.487 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1ccco1 ZINC001268302595 775395005 /nfs/dbraw/zinc/39/50/05/775395005.db2.gz WWZSTMDQTFIVKQ-VIFPVBQESA-N 0 3 269.301 -1.236 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cn[nH]c1 ZINC001268300697 775395367 /nfs/dbraw/zinc/39/53/67/775395367.db2.gz QMDJECMNUOETJP-BDAKNGLRSA-N 0 3 267.289 -2.022 20 0 CAADHN CC1(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001268308377 775395977 /nfs/dbraw/zinc/39/59/77/775395977.db2.gz OXSNTNWWPGWKHJ-RKDXNWHRSA-N 0 3 255.318 -1.258 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001268308376 775396076 /nfs/dbraw/zinc/39/60/76/775396076.db2.gz OXSNTNWWPGWKHJ-IUCAKERBSA-N 0 3 255.318 -1.258 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001268305234 775396183 /nfs/dbraw/zinc/39/61/83/775396183.db2.gz UJWVGVCBWSCTBZ-NSHDSACASA-N 0 3 297.359 -1.487 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001268306299 775397693 /nfs/dbraw/zinc/39/76/93/775397693.db2.gz WAKXPNDGFPXROL-BQBZGAKWSA-N 0 3 265.260 -1.546 20 0 CAADHN COCCC[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001268312578 775398476 /nfs/dbraw/zinc/39/84/76/775398476.db2.gz YNHPYLROIXVCKZ-SECBINFHSA-N 0 3 284.316 -1.101 20 0 CAADHN CS(=O)(=O)CCNC[C@@H](O)CNC(=O)c1cnco1 ZINC001268317875 775401023 /nfs/dbraw/zinc/40/10/23/775401023.db2.gz NILSKRFGZXDAHK-MRVPVSSYSA-N 0 3 291.329 -1.601 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1(CCF)CC1 ZINC001268318370 775401080 /nfs/dbraw/zinc/40/10/80/775401080.db2.gz PQMNKFJCLQUROB-MRVPVSSYSA-N 0 3 261.297 -1.322 20 0 CAADHN NC(=O)C(=O)NC[C@H](O)CNCc1cccnc1 ZINC001268320080 775401403 /nfs/dbraw/zinc/40/14/03/775401403.db2.gz AGVJVWFIDDGNBW-SECBINFHSA-N 0 3 252.274 -1.866 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@]1(C)CCNC1=O ZINC001268321852 775401592 /nfs/dbraw/zinc/40/15/92/775401592.db2.gz HKAJWOKDPNSGBV-PELKAZGASA-N 0 3 286.332 -2.675 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](O)CNCCF)CCC(=O)NC1 ZINC001268321586 775401886 /nfs/dbraw/zinc/40/18/86/775401886.db2.gz UCVCVRMUVFXJQK-JOYOIKCWSA-N 0 3 275.324 -1.061 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](O)CNCCF)CCC(=O)NC1 ZINC001268321584 775401978 /nfs/dbraw/zinc/40/19/78/775401978.db2.gz UCVCVRMUVFXJQK-BXKDBHETSA-N 0 3 275.324 -1.061 20 0 CAADHN O=C(CCn1cnnn1)NC[C@@H](O)CNCCF ZINC001268327032 775402892 /nfs/dbraw/zinc/40/28/92/775402892.db2.gz OVCSWANRLKOHLA-QMMMGPOBSA-N 0 3 260.273 -1.901 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NC[C@@H](O)CNCCF)c1 ZINC001268324840 775402941 /nfs/dbraw/zinc/40/29/41/775402941.db2.gz ADHGPLMRPNSWEH-QMMMGPOBSA-N 0 3 272.280 -1.237 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CNC(=O)C(N)=O)C1=O ZINC001268325184 775403816 /nfs/dbraw/zinc/40/38/16/775403816.db2.gz ZEURKBMXGFBPJG-SFYZADRCSA-N 0 3 272.305 -2.841 20 0 CAADHN O=C(CCN1CCOCC1)NC[C@H](O)CNCCF ZINC001268329177 775405047 /nfs/dbraw/zinc/40/50/47/775405047.db2.gz SMYJAKHQAOJXPI-LLVKDONJSA-N 0 3 277.340 -1.255 20 0 CAADHN O=C(Cn1ccccc1=O)NC[C@H](O)CNCCF ZINC001268334837 775406405 /nfs/dbraw/zinc/40/64/05/775406405.db2.gz GPMUUXANXCWYNC-SNVBAGLBSA-N 0 3 271.292 -1.116 20 0 CAADHN NC(=O)NCCC(=O)NC[C@H](O)CNCCF ZINC001268335056 775406776 /nfs/dbraw/zinc/40/67/76/775406776.db2.gz JCLHEKYPXDORPN-SSDOTTSWSA-N 0 3 250.274 -1.919 20 0 CAADHN Cn1nc(C(=O)NC[C@@H](O)CNCCF)ccc1=O ZINC001268331019 775406794 /nfs/dbraw/zinc/40/67/94/775406794.db2.gz FDYJFVGESIMTBO-QMMMGPOBSA-N 0 3 272.280 -1.570 20 0 CAADHN O=C(Cn1ccccc1=O)NC[C@@H](O)CNCCF ZINC001268334836 775406970 /nfs/dbraw/zinc/40/69/70/775406970.db2.gz GPMUUXANXCWYNC-JTQLQIEISA-N 0 3 271.292 -1.116 20 0 CAADHN NC(=O)c1nccnc1C(=O)NC[C@@H](O)CNCCF ZINC001268335511 775407133 /nfs/dbraw/zinc/40/71/33/775407133.db2.gz LSSVMVDCELZQHQ-ZETCQYMHSA-N 0 3 285.279 -1.775 20 0 CAADHN C[C@H](CC[NH2+]CC(N)=O)NC(=O)c1cnc[n-]c1=O ZINC001268374961 775409893 /nfs/dbraw/zinc/40/98/93/775409893.db2.gz KBLVWECCHDYLDU-SSDOTTSWSA-N 0 3 267.289 -1.235 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001075631732 775414319 /nfs/dbraw/zinc/41/43/19/775414319.db2.gz QMUZVISKORQFEF-WDEREUQCSA-N 0 3 292.343 -1.314 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)c1cncnc1 ZINC001268446642 775414502 /nfs/dbraw/zinc/41/45/02/775414502.db2.gz VXQKYOYXZZHBKH-UHFFFAOYSA-N 0 3 294.315 -1.277 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@H](NCC(=O)NC)C1 ZINC001207685242 775414635 /nfs/dbraw/zinc/41/46/35/775414635.db2.gz ZIJIAJJOISAIMR-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@@H](NCC(=O)NC)C1 ZINC001207685250 775414642 /nfs/dbraw/zinc/41/46/42/775414642.db2.gz ZIJIAJJOISAIMR-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001268465328 775417479 /nfs/dbraw/zinc/41/74/79/775417479.db2.gz ZMTNPXHUBPVCST-SNVBAGLBSA-N 0 3 299.375 -1.300 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001268465327 775417700 /nfs/dbraw/zinc/41/77/00/775417700.db2.gz ZMTNPXHUBPVCST-JTQLQIEISA-N 0 3 299.375 -1.300 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001268456890 775417714 /nfs/dbraw/zinc/41/77/14/775417714.db2.gz QSHREUSPJVMFDE-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001268459539 775417879 /nfs/dbraw/zinc/41/78/79/775417879.db2.gz DUCFBXVJGSUTQE-JTQLQIEISA-N 0 3 284.360 -1.222 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)c1nnn(C)n1 ZINC001268470355 775420262 /nfs/dbraw/zinc/42/02/62/775420262.db2.gz ATXGMGCPYYPSLV-ZETCQYMHSA-N 0 3 269.309 -1.864 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cccc(=O)n1C ZINC001268478239 775420847 /nfs/dbraw/zinc/42/08/47/775420847.db2.gz MWHFDIDANUHYDO-UHFFFAOYSA-N 0 3 280.328 -1.078 20 0 CAADHN COCCC(=O)NC/C=C/CN[C@@H](C)C(=O)NC(N)=O ZINC001268503100 775424173 /nfs/dbraw/zinc/42/41/73/775424173.db2.gz RSXPSDORLSEXGH-NWALNABHSA-N 0 3 286.332 -1.132 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268503935 775424285 /nfs/dbraw/zinc/42/42/85/775424285.db2.gz XLMSCWYGOCIFLM-QMMMGPOBSA-N 0 3 284.316 -2.037 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)Cn1cncn1 ZINC001268497392 775424387 /nfs/dbraw/zinc/42/43/87/775424387.db2.gz CEDQXIDETHXOTI-VIFPVBQESA-N 0 3 268.321 -1.410 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)Cn1cncn1 ZINC001268497391 775424502 /nfs/dbraw/zinc/42/45/02/775424502.db2.gz CEDQXIDETHXOTI-SECBINFHSA-N 0 3 268.321 -1.410 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CNC(C)=O)[C@H](OC)C1 ZINC001211776549 775424557 /nfs/dbraw/zinc/42/45/57/775424557.db2.gz MMYQWWHUDPGPLD-VXGBXAGGSA-N 0 3 287.360 -1.026 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CN(CC)CCO1 ZINC001268500995 775424601 /nfs/dbraw/zinc/42/46/01/775424601.db2.gz UDLSWIPQDAYJIM-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN Cc1cc(C(=O)NCCNCC(=O)NC(N)=O)ns1 ZINC001126372134 775426254 /nfs/dbraw/zinc/42/62/54/775426254.db2.gz OUMNQELKBJNMIB-UHFFFAOYSA-N 0 3 285.329 -1.034 20 0 CAADHN CCC(=O)NCC(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001268521713 775426315 /nfs/dbraw/zinc/42/63/15/775426315.db2.gz IKMBFDDXEUVIFR-MOVJSRMASA-N 0 3 270.333 -1.352 20 0 CAADHN O=C1CCC(=O)N1CCNS(=O)(=O)C1CNC1 ZINC000721749803 775426330 /nfs/dbraw/zinc/42/63/30/775426330.db2.gz MMOQLHRNNCIRRP-UHFFFAOYSA-N 0 3 261.303 -1.973 20 0 CAADHN CC[C@H](NC/C=C/CNC(=O)c1ncn(C)n1)C(N)=O ZINC001268532292 775427037 /nfs/dbraw/zinc/42/70/37/775427037.db2.gz IBOLFOGAWRQALQ-MOVJSRMASA-N 0 3 280.332 -1.045 20 0 CAADHN CCC(=O)NCC(=O)NC/C=C\CN[C@H](C)C(N)=O ZINC001268521716 775427381 /nfs/dbraw/zinc/42/73/81/775427381.db2.gz IKMBFDDXEUVIFR-XRVBUDJMSA-N 0 3 270.333 -1.352 20 0 CAADHN CNC(=O)CNC/C=C/CNC(=O)[C@@H]1CN(C)CCO1 ZINC001268522397 775427539 /nfs/dbraw/zinc/42/75/39/775427539.db2.gz RMRPYRVZJYVKJV-UFFNRZRYSA-N 0 3 284.360 -1.675 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)CC(N)=O)C(=O)N(C)C ZINC001268522777 775427703 /nfs/dbraw/zinc/42/77/03/775427703.db2.gz KJJSWBWQRNLNNP-XNPJLODASA-N 0 3 270.333 -1.400 20 0 CAADHN CNC(=O)CNC/C=C\CNC(=O)[C@H]1CN(C)CCO1 ZINC001268522395 775427916 /nfs/dbraw/zinc/42/79/16/775427916.db2.gz RMRPYRVZJYVKJV-DLRQAJBASA-N 0 3 284.360 -1.675 20 0 CAADHN CC[C@H](NC/C=C\CNC(=O)c1ncn(C)n1)C(N)=O ZINC001268532293 775428198 /nfs/dbraw/zinc/42/81/98/775428198.db2.gz IBOLFOGAWRQALQ-WBSSQXGSSA-N 0 3 280.332 -1.045 20 0 CAADHN CN1CC[C@H](NC/C=C\CNC(=O)Cn2ncnn2)C1=O ZINC001268539307 775429235 /nfs/dbraw/zinc/42/92/35/775429235.db2.gz RSVCGFBSXMUIQE-ZMWSMAPVSA-N 0 3 293.331 -1.834 20 0 CAADHN CCCCN1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083329471 775429329 /nfs/dbraw/zinc/42/93/29/775429329.db2.gz JXFRUUSCRWZSDR-ZJUUUORDSA-N 0 3 268.321 -1.366 20 0 CAADHN CN1CC[C@@H](NC/C=C/CNC(=O)Cn2ncnn2)C1=O ZINC001268539306 775429499 /nfs/dbraw/zinc/42/94/99/775429499.db2.gz RSVCGFBSXMUIQE-VMZHVLLKSA-N 0 3 293.331 -1.834 20 0 CAADHN CC(=O)N(C)CC(=O)NCC1CN(C[C@@H](C)O)C1 ZINC001268547882 775429710 /nfs/dbraw/zinc/42/97/10/775429710.db2.gz XWWFHSOEAAVNLD-SECBINFHSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001268560485 775430909 /nfs/dbraw/zinc/43/09/09/775430909.db2.gz XOISUSODCSHTDH-ZBJFTSOASA-N 0 3 296.331 -2.282 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001083329867 775432021 /nfs/dbraw/zinc/43/20/21/775432021.db2.gz XSGDFGPZQIUZFW-AXFHLTTASA-N 0 3 296.331 -2.129 20 0 CAADHN CC[C@H](NC/C=C\CNC(=O)c1nnn(C)n1)C(N)=O ZINC001268577988 775434880 /nfs/dbraw/zinc/43/48/80/775434880.db2.gz GYEHXIFPUNSFKY-LGYSABEFSA-N 0 3 281.320 -1.650 20 0 CAADHN OCC(CO)(CO)Nc1ccc2c(n1)CNCC2 ZINC001167926456 775434951 /nfs/dbraw/zinc/43/49/51/775434951.db2.gz JVICYIFSRREPDE-UHFFFAOYSA-N 0 3 253.302 -1.145 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001268576229 775435000 /nfs/dbraw/zinc/43/50/00/775435000.db2.gz UIEUWHDFHHKOTI-FBFNWGNUSA-N 0 3 283.332 -1.854 20 0 CAADHN Cc1nc(NC(CO)(CO)CO)cc(N2CCOCC2)n1 ZINC001167924551 775435147 /nfs/dbraw/zinc/43/51/47/775435147.db2.gz YTTRILMIUCEUEI-UHFFFAOYSA-N 0 3 298.343 -1.251 20 0 CAADHN CC[C@H](NC/C=C\CNC(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001268576977 775435259 /nfs/dbraw/zinc/43/52/59/775435259.db2.gz XYNNWDZBIPGECU-NDVXOHMPSA-N 0 3 297.359 -1.464 20 0 CAADHN CN1CCOc2c1cnnc2NC(CO)(CO)CO ZINC001167927869 775436190 /nfs/dbraw/zinc/43/61/90/775436190.db2.gz XORMZIZCIIVPTQ-UHFFFAOYSA-N 0 3 270.289 -1.567 20 0 CAADHN CC[C@@H](NC/C=C/CNC(=O)C1(C(N)=O)CC1)C(N)=O ZINC001268585270 775436210 /nfs/dbraw/zinc/43/62/10/775436210.db2.gz NMRNPRWUFPYHTN-CDAZIORVSA-N 0 3 282.344 -1.222 20 0 CAADHN CC[C@H](NC/C=C\CNC(=O)C1(C(N)=O)CC1)C(N)=O ZINC001268585272 775436545 /nfs/dbraw/zinc/43/65/45/775436545.db2.gz NMRNPRWUFPYHTN-TYRPZCRBSA-N 0 3 282.344 -1.222 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001268584046 775437312 /nfs/dbraw/zinc/43/73/12/775437312.db2.gz IGBRVAIICLSQFY-HZIBQTDNSA-N 0 3 269.305 -2.196 20 0 CAADHN CC[C@H](NC/C=C/CNC(=O)C1(C(N)=O)CC1)C(N)=O ZINC001268585271 775437421 /nfs/dbraw/zinc/43/74/21/775437421.db2.gz NMRNPRWUFPYHTN-NWALNABHSA-N 0 3 282.344 -1.222 20 0 CAADHN CS(=O)(=O)CCCNC/C=C/CNC(=O)C(N)=O ZINC001268586885 775438222 /nfs/dbraw/zinc/43/82/22/775438222.db2.gz XZEAZMJKRIUHMD-NSCUHMNNSA-N 0 3 277.346 -1.832 20 0 CAADHN CN1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001083372955 775453457 /nfs/dbraw/zinc/45/34/57/775453457.db2.gz MHSRHEQNXTVSGU-UTUOFQBUSA-N 0 3 271.361 -1.376 20 0 CAADHN CN1CCC[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083372820 775453956 /nfs/dbraw/zinc/45/39/56/775453956.db2.gz GHNDHFUJETVPLZ-VWYCJHECSA-N 0 3 257.334 -1.766 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083385014 775454747 /nfs/dbraw/zinc/45/47/47/775454747.db2.gz BKHKITKYMWUFCC-FRRDWIJNSA-N 0 3 283.372 -1.112 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC/C=C/CNCC(N)=O)C1 ZINC001268628378 775459141 /nfs/dbraw/zinc/45/91/41/775459141.db2.gz MTOSUOOUGUTRPI-PGLGOXFNSA-N 0 3 284.360 -1.546 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001268630985 775459157 /nfs/dbraw/zinc/45/91/57/775459157.db2.gz UOVJVGQXPNRQPA-WBSSQXGSSA-N 0 3 295.343 -1.527 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001268623559 775459161 /nfs/dbraw/zinc/45/91/61/775459161.db2.gz OWQWIKZXEMADPG-SGJFDWMWSA-N 0 3 297.315 -2.326 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001268630986 775459379 /nfs/dbraw/zinc/45/93/79/775459379.db2.gz UOVJVGQXPNRQPA-XNPJLODASA-N 0 3 295.343 -1.527 20 0 CAADHN C[C@H](CNCCS(C)(=O)=O)NC(=O)CC(N)=O ZINC001268640347 775460887 /nfs/dbraw/zinc/46/08/87/775460887.db2.gz UMDXTMSYLWXSNJ-SSDOTTSWSA-N 0 3 265.335 -1.999 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H](C)CNC/C=C\Cl ZINC001268656229 775463623 /nfs/dbraw/zinc/46/36/23/775463623.db2.gz OCVIXWGBYGDHPI-TUUFMJSCSA-N 0 3 298.796 -1.113 20 0 CAADHN Cn1nccc1CC(=O)NCCNCC(=O)N1CCC1 ZINC001126393324 775461423 /nfs/dbraw/zinc/46/14/23/775461423.db2.gz RRAMFXQEYZQOPC-UHFFFAOYSA-N 0 3 279.344 -1.099 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001268637099 775462020 /nfs/dbraw/zinc/46/20/20/775462020.db2.gz RDBKVTQXYFGBIM-MRVPVSSYSA-N 0 3 258.322 -1.695 20 0 CAADHN Cn1nccc1CC(=O)NCCN[C@H]1CCNC1=O ZINC001126392896 775462031 /nfs/dbraw/zinc/46/20/31/775462031.db2.gz CREFLTUILZTVNG-JTQLQIEISA-N 0 3 265.317 -1.443 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1cn(C)nn1 ZINC001268643783 775462132 /nfs/dbraw/zinc/46/21/32/775462132.db2.gz BOLWXJSCAZQVLE-MRVPVSSYSA-N 0 3 268.321 -1.389 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001268643491 775462783 /nfs/dbraw/zinc/46/27/83/775462783.db2.gz WGKGPKDYSQAYLF-SSDOTTSWSA-N 0 3 268.321 -1.544 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001268647911 775463367 /nfs/dbraw/zinc/46/33/67/775463367.db2.gz LWCVVPPNBZXTJB-HTQZYQBOSA-N 0 3 284.316 -1.897 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001268646811 775463412 /nfs/dbraw/zinc/46/34/12/775463412.db2.gz ZKFYNHHPEITSBG-BDAKNGLRSA-N 0 3 267.333 -1.069 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001268645717 775463790 /nfs/dbraw/zinc/46/37/90/775463790.db2.gz SXSXLZXDWSCVFL-PTRXPTGYSA-N 0 3 255.318 -1.137 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H](C)CNC/C=C/Cl ZINC001268656228 775463738 /nfs/dbraw/zinc/46/37/38/775463738.db2.gz OCVIXWGBYGDHPI-MPJRPATESA-N 0 3 298.796 -1.113 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001268647912 775463852 /nfs/dbraw/zinc/46/38/52/775463852.db2.gz LWCVVPPNBZXTJB-SFYZADRCSA-N 0 3 284.316 -1.897 20 0 CAADHN Cc1nnccc1C(=O)N[C@H](C)CNCC(N)=O ZINC001268654294 775463880 /nfs/dbraw/zinc/46/38/80/775463880.db2.gz PONGYKNIVDZUSE-SSDOTTSWSA-N 0 3 251.290 -1.022 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268666532 775464387 /nfs/dbraw/zinc/46/43/87/775464387.db2.gz WLQLUNDYCGRIBN-RQJHMYQMSA-N 0 3 284.316 -1.993 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268666531 775465263 /nfs/dbraw/zinc/46/52/63/775465263.db2.gz WLQLUNDYCGRIBN-RNFRBKRXSA-N 0 3 284.316 -1.993 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)C(=O)NCC1CC1)C(N)=O ZINC001268667849 775465279 /nfs/dbraw/zinc/46/52/79/775465279.db2.gz ZHKYIPXXEPOVND-PSASIEDQSA-N 0 3 284.360 -1.129 20 0 CAADHN Cc1nonc1CC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001268668424 775465732 /nfs/dbraw/zinc/46/57/32/775465732.db2.gz XVFYXVXZWIWCEX-HTRCEHHLSA-N 0 3 269.305 -1.111 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1ncn(C)n1 ZINC001268685224 775466187 /nfs/dbraw/zinc/46/61/87/775466187.db2.gz GRZKIPVNIFOQSO-JGVFFNPUSA-N 0 3 266.305 -1.589 20 0 CAADHN CC(C)C[C@@H](C(N)=O)C(=O)N[C@H](C)CNCC(N)=O ZINC001268675674 775466417 /nfs/dbraw/zinc/46/64/17/775466417.db2.gz FRBBPOJUSHTBIX-BDAKNGLRSA-N 0 3 272.349 -1.286 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cc[nH]c(=O)c1 ZINC001268681860 775466616 /nfs/dbraw/zinc/46/66/16/775466616.db2.gz JZIIXHKPQQKPMO-ZETCQYMHSA-N 0 3 252.274 -1.020 20 0 CAADHN CCn1ncc(C(=O)N[C@@H](C)CNCC(N)=O)n1 ZINC001268685173 775466697 /nfs/dbraw/zinc/46/66/97/775466697.db2.gz DSXGWMBMBAGSJL-ZETCQYMHSA-N 0 3 254.294 -1.509 20 0 CAADHN COCCOCC(=O)N[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001268683694 775467290 /nfs/dbraw/zinc/46/72/90/775467290.db2.gz VHASKJLYSLPSNP-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCN(C)C1=O ZINC001268698887 775468017 /nfs/dbraw/zinc/46/80/17/775468017.db2.gz ANWVUSJQOFVHOE-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1nnn(C)n1 ZINC001268698969 775468116 /nfs/dbraw/zinc/46/81/16/775468116.db2.gz AQTANIKKSOTFSQ-NKWVEPMBSA-N 0 3 295.303 -2.277 20 0 CAADHN Cc1ccc(C(=O)N[C@@H](C)CNCC(N)=O)nn1 ZINC001268689455 775468238 /nfs/dbraw/zinc/46/82/38/775468238.db2.gz XGKRREWVXYUNJP-QMMMGPOBSA-N 0 3 251.290 -1.022 20 0 CAADHN C[C@@H](CNCc1ccc(C(N)=O)cc1)NC(=O)C(N)=O ZINC001268700135 775468813 /nfs/dbraw/zinc/46/88/13/775468813.db2.gz DIFHDKVAQKEBIQ-QMMMGPOBSA-N 0 3 278.312 -1.135 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccc(=O)n(C)c1 ZINC001268694470 775469003 /nfs/dbraw/zinc/46/90/03/775469003.db2.gz NPDIKOCISXFWMB-QMMMGPOBSA-N 0 3 266.301 -1.422 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](C)CN[C@@H]2CCN(C)C2=O)CC1 ZINC001268708255 775469758 /nfs/dbraw/zinc/46/97/58/775469758.db2.gz CTHUNHUKNJSXHB-VHSXEESVSA-N 0 3 296.371 -1.162 20 0 CAADHN CCCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001268701780 775469821 /nfs/dbraw/zinc/46/98/21/775469821.db2.gz GJSYEKKCONCWBG-UWVGGRQHSA-N 0 3 299.375 -1.322 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H](COC)OC ZINC001268703408 775469852 /nfs/dbraw/zinc/46/98/52/775469852.db2.gz MYPSTRMPIRNGLK-DTWKUNHWSA-N 0 3 261.322 -1.512 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@]1(C)CCNC1=O ZINC001268702288 775469944 /nfs/dbraw/zinc/46/99/44/775469944.db2.gz BAZDYDVOKJPVBU-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NCCNC(=O)Cc1ccnn1C)C(N)=O ZINC001126397835 775469984 /nfs/dbraw/zinc/46/99/84/775469984.db2.gz JJCWBQHEBQLXNP-JTQLQIEISA-N 0 3 267.333 -1.068 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cnn(C)n1 ZINC001268708307 775470054 /nfs/dbraw/zinc/47/00/54/775470054.db2.gz AMDZAWYACLELBQ-YUMQZZPRSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)Cc1cncn1C ZINC001268711535 775470131 /nfs/dbraw/zinc/47/01/31/775470131.db2.gz KEDLVNOXWVALIU-QMMMGPOBSA-N 0 3 253.306 -1.458 20 0 CAADHN CN1CC[C@H](NCCNC(=O)Cc2ccnn2C)C1=O ZINC001126397910 775470184 /nfs/dbraw/zinc/47/01/84/775470184.db2.gz MUPIEHXHFYNHRL-NSHDSACASA-N 0 3 279.344 -1.101 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)C1(C(N)=O)CC1 ZINC001268702060 775470372 /nfs/dbraw/zinc/47/03/72/775470372.db2.gz RPUZHOSRFBWBPM-VIFPVBQESA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@]1(C)CCNC1=O ZINC001268702287 775470506 /nfs/dbraw/zinc/47/05/06/775470506.db2.gz BAZDYDVOKJPVBU-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](CNCCS(C)(=O)=O)NC(=O)CCNC(N)=O ZINC001268714400 775470555 /nfs/dbraw/zinc/47/05/55/775470555.db2.gz BKESPHPGXMGOKI-QMMMGPOBSA-N 0 3 294.377 -1.816 20 0 CAADHN C[C@@H](CN(C)CCOCCO)NC(=O)c1c[nH]c(=O)cn1 ZINC001268742961 775471994 /nfs/dbraw/zinc/47/19/94/775471994.db2.gz MYZSCMCKFIJJTE-JTQLQIEISA-N 0 3 298.343 -1.171 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001268714847 775472075 /nfs/dbraw/zinc/47/20/75/775472075.db2.gz PXBFQOXRJQSOIK-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCc1cncn1C ZINC001268712849 775472707 /nfs/dbraw/zinc/47/27/07/775472707.db2.gz GNRXYCRSKDXFGJ-VIFPVBQESA-N 0 3 267.333 -1.068 20 0 CAADHN C[C@H](CN(C)C[C@@H](O)Cn1cccn1)NC(=O)C(N)=O ZINC001268746372 775473416 /nfs/dbraw/zinc/47/34/16/775473416.db2.gz MJPXRUMZJRYSFG-NXEZZACHSA-N 0 3 283.332 -1.834 20 0 CAADHN CCN1CC(CNC(=O)CNS(=O)(=O)NC)C1 ZINC001268858934 775478142 /nfs/dbraw/zinc/47/81/42/775478142.db2.gz UHCKEVFLEULCJJ-UHFFFAOYSA-N 0 3 264.351 -1.892 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001268905434 775480625 /nfs/dbraw/zinc/48/06/25/775480625.db2.gz BCDDZGSSLFERGH-VIFPVBQESA-N 0 3 283.328 -1.436 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@H]1CCN(CCCO)C1 ZINC001269019301 775482774 /nfs/dbraw/zinc/48/27/74/775482774.db2.gz VVTCRSOVJRHVCJ-IUCAKERBSA-N 0 3 258.322 -1.384 20 0 CAADHN CN(C)CCN1C(=O)COCC12CN(C(=O)CCO)C2 ZINC001269048196 775485712 /nfs/dbraw/zinc/48/57/12/775485712.db2.gz PWOYXGUHOFJKPS-UHFFFAOYSA-N 0 3 285.344 -1.630 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001269052221 775485956 /nfs/dbraw/zinc/48/59/56/775485956.db2.gz YIENVSKSCXXCID-DCAQKATOSA-N 0 3 285.344 -1.680 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001269061193 775487101 /nfs/dbraw/zinc/48/71/01/775487101.db2.gz FKZAYAGODBAMPD-IUCAKERBSA-N 0 3 255.318 -1.177 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)CC(N)=O)C1CC1 ZINC001269055626 775487200 /nfs/dbraw/zinc/48/72/00/775487200.db2.gz DUMHBPBRAUOTFO-VIFPVBQESA-N 0 3 270.333 -1.566 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001269056525 775487366 /nfs/dbraw/zinc/48/73/66/775487366.db2.gz FGBGQTCHCVVAQW-SDDRHHMPSA-N 0 3 299.371 -1.338 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001269052223 775487605 /nfs/dbraw/zinc/48/76/05/775487605.db2.gz YIENVSKSCXXCID-HBNTYKKESA-N 0 3 285.344 -1.680 20 0 CAADHN CCOC(=O)C[C@@H](O)C(=O)NCCN(C)CCO ZINC000925001247 775521673 /nfs/dbraw/zinc/52/16/73/775521673.db2.gz VYPBYDHGTQEWLV-SECBINFHSA-N 0 3 262.306 -1.659 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CC(=O)NC(=O)N1)C2 ZINC001269086598 775488584 /nfs/dbraw/zinc/48/85/84/775488584.db2.gz JDYAHSUFBNQJKO-VGMNWLOBSA-N 0 3 266.301 -1.253 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C1CC=CC1 ZINC001284401049 775488603 /nfs/dbraw/zinc/48/86/03/775488603.db2.gz JNXLXOZVFBZDQY-JTQLQIEISA-N 0 3 255.318 -1.153 20 0 CAADHN CN1CC2(C1)CCCN(C(=O)CN(CCO)CCO)C2 ZINC001269095094 775489041 /nfs/dbraw/zinc/48/90/41/775489041.db2.gz MUVBHMDIZLSQMH-UHFFFAOYSA-N 0 3 285.388 -1.173 20 0 CAADHN O=C(Cc1nc[nH]n1)N[C@H]1CCN(CCOCCO)C1 ZINC001269078778 775489234 /nfs/dbraw/zinc/48/92/34/775489234.db2.gz RQPBNWPKHRZFBO-JTQLQIEISA-N 0 3 283.332 -1.453 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001269073543 775489869 /nfs/dbraw/zinc/48/98/69/775489869.db2.gz UXBKKMGTSZWKOG-JTQLQIEISA-N 0 3 268.321 -1.100 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001269110848 775490422 /nfs/dbraw/zinc/49/04/22/775490422.db2.gz PBGQUGYESMETHL-HTQZYQBOSA-N 0 3 269.305 -2.363 20 0 CAADHN CC(C)N1CC[C@@H](NC[C@@H](NC(=O)C(N)=O)C2CC2)C1=O ZINC001269111439 775490683 /nfs/dbraw/zinc/49/06/83/775490683.db2.gz UGKYRWHCUSGNTF-GHMZBOCLSA-N 0 3 296.371 -1.035 20 0 CAADHN CC[C@@H](NC[C@H](NC(=O)C(N)=O)C1CC1)C(N)=O ZINC001269111872 775490747 /nfs/dbraw/zinc/49/07/47/775490747.db2.gz XHCFFOQUIKWQMP-SFYZADRCSA-N 0 3 256.306 -1.780 20 0 CAADHN O=C(CNC(=O)C1CC1)N[C@@H]1CCN(CCO)C1 ZINC001269108191 775490826 /nfs/dbraw/zinc/49/08/26/775490826.db2.gz KTHIZHYLJYYFIA-SNVBAGLBSA-N 0 3 255.318 -1.305 20 0 CAADHN NC(=O)C(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001269110117 775491026 /nfs/dbraw/zinc/49/10/26/775491026.db2.gz KEKSPZVOOWZANG-SFYZADRCSA-N 0 3 254.290 -2.155 20 0 CAADHN CC(C)N1CC[C@@H](NS(=O)(=O)C2CNC2)C1=O ZINC000721774684 775528472 /nfs/dbraw/zinc/52/84/72/775528472.db2.gz ATKYXYPCIDRCBQ-SECBINFHSA-N 0 3 261.347 -1.113 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1CCN(C[C@@H](O)COC)C1 ZINC001269121780 775491760 /nfs/dbraw/zinc/49/17/60/775491760.db2.gz MKWSUJJVQAARKP-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001269156341 775492549 /nfs/dbraw/zinc/49/25/49/775492549.db2.gz YIENVSKSCXXCID-VWYCJHECSA-N 0 3 285.344 -1.680 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001269117206 775492713 /nfs/dbraw/zinc/49/27/13/775492713.db2.gz YAKDKLRWALVYGS-HRDYMLBCSA-N 0 3 268.317 -1.923 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1cncnc1 ZINC001126403100 775492748 /nfs/dbraw/zinc/49/27/48/775492748.db2.gz SOVVDCCDOGYSPY-UHFFFAOYSA-N 0 3 251.290 -1.529 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2CCN(CCCO)C2)CC1 ZINC001269159686 775493190 /nfs/dbraw/zinc/49/31/90/775493190.db2.gz REBKKLKBJYNRBL-SECBINFHSA-N 0 3 255.318 -1.175 20 0 CAADHN CNC(=O)C(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001269179862 775493529 /nfs/dbraw/zinc/49/35/29/775493529.db2.gz LJDFMYBHJZLVLY-UHFFFAOYSA-N 0 3 298.343 -2.266 20 0 CAADHN CNC(=O)C(=O)N1CCC[C@@]12CCN(CCN(C)C)C2=O ZINC001269180517 775495720 /nfs/dbraw/zinc/49/57/20/775495720.db2.gz UIDZVAYBSYIHNN-AWEZNQCLSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C(N)=O ZINC001284444542 775496995 /nfs/dbraw/zinc/49/69/95/775496995.db2.gz KZVMZYWDKWWBDZ-RNFRBKRXSA-N 0 3 258.278 -3.231 20 0 CAADHN C[C@@H](O)C(=O)N1CC[C@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001269258292 775499017 /nfs/dbraw/zinc/49/90/17/775499017.db2.gz APTLHGHUPLZZDP-BXUZGUMPSA-N 0 3 299.371 -1.241 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC000725172974 775500394 /nfs/dbraw/zinc/50/03/94/775500394.db2.gz KKEINEAYEHSYLC-NSHDSACASA-N 0 3 253.306 -1.201 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cc1cncnc1 ZINC001126407893 775501991 /nfs/dbraw/zinc/50/19/91/775501991.db2.gz RNKNHBPSIFPSMP-VIFPVBQESA-N 0 3 265.317 -1.141 20 0 CAADHN CN(C(=O)CC[C@@H]1NC(=O)NC1=O)[C@H]1CCN(CCO)C1 ZINC001269293670 775502086 /nfs/dbraw/zinc/50/20/86/775502086.db2.gz ZQSARUCLCCEANF-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN CN(C(=O)CC[C@@H]1NC(=O)NC1=O)[C@@H]1CCN(CCO)C1 ZINC001269293673 775502283 /nfs/dbraw/zinc/50/22/83/775502283.db2.gz ZQSARUCLCCEANF-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN O=C(Cc1cncnc1)NCCN[C@H]1CCC(=O)NC1=O ZINC001126407848 775502489 /nfs/dbraw/zinc/50/24/89/775502489.db2.gz QBUOQPANXOHMPL-JTQLQIEISA-N 0 3 291.311 -1.470 20 0 CAADHN CC[C@@H](CNC(=O)c1ncn(C)n1)NCC(N)=O ZINC001269396286 775504795 /nfs/dbraw/zinc/50/47/95/775504795.db2.gz FAWHIWWCFKHGPV-ZETCQYMHSA-N 0 3 254.294 -1.602 20 0 CAADHN CC[C@@H](CNC(=O)CC(N)=O)NCc1n[nH]c(C)n1 ZINC001269384587 775505776 /nfs/dbraw/zinc/50/57/76/775505776.db2.gz VBISONSOJNIJDX-QMMMGPOBSA-N 0 3 268.321 -1.027 20 0 CAADHN CC[C@H](CNC(=O)c1ncn(C)n1)NCC(N)=O ZINC001269396284 775505843 /nfs/dbraw/zinc/50/58/43/775505843.db2.gz FAWHIWWCFKHGPV-SSDOTTSWSA-N 0 3 254.294 -1.602 20 0 CAADHN CCN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CCN(CCO)C1 ZINC001269355789 775505975 /nfs/dbraw/zinc/50/59/75/775505975.db2.gz KAKHKEFYVHUFCQ-SNVBAGLBSA-N 0 3 298.343 -1.547 20 0 CAADHN CN1CC[C@H](NCCNC(=O)Cc2cncnc2)C1=O ZINC001126412905 775506028 /nfs/dbraw/zinc/50/60/28/775506028.db2.gz HKVGPUYABQFGIH-NSHDSACASA-N 0 3 277.328 -1.044 20 0 CAADHN CC[C@H](CNC(=O)C(C)(C)C(N)=O)NCC(=O)NC ZINC001269417808 775506774 /nfs/dbraw/zinc/50/67/74/775506774.db2.gz QSGKBUOWWBQQGQ-MRVPVSSYSA-N 0 3 272.349 -1.272 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)N[C@@H]1CCCNC1=O ZINC001269460928 775507859 /nfs/dbraw/zinc/50/78/59/775507859.db2.gz MECBJJBCWPQOHB-HTQZYQBOSA-N 0 3 256.306 -1.765 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NCC(=O)N(C)CC ZINC001269461846 775508075 /nfs/dbraw/zinc/50/80/75/775508075.db2.gz YZROQXQUFKFMRA-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@@H](CC)CNC(=O)C(N)=O ZINC001269460091 775508366 /nfs/dbraw/zinc/50/83/66/775508366.db2.gz DMTIUCODJLMYLN-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@H](CC)CNC(=O)C(N)=O ZINC001269460092 775508440 /nfs/dbraw/zinc/50/84/40/775508440.db2.gz DMTIUCODJLMYLN-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)C1(C(N)=O)CC1)N[C@@H]1CCN(C)C1=O ZINC001269460337 775508630 /nfs/dbraw/zinc/50/86/30/775508630.db2.gz HBUJZEOKDQTTBA-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@@H](CC)CNC(=O)C(N)=O ZINC001269460089 775508750 /nfs/dbraw/zinc/50/87/50/775508750.db2.gz DMTIUCODJLMYLN-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1cncnc1)C(=O)NC(N)=O ZINC001126414803 775510296 /nfs/dbraw/zinc/51/02/96/775510296.db2.gz RSEFDLVKSDPXLE-MRVPVSSYSA-N 0 3 294.315 -1.692 20 0 CAADHN CC[C@H](CNC(=O)C1(C(=O)NC)CC1)N[C@H]1CCNC1=O ZINC001269482773 775510395 /nfs/dbraw/zinc/51/03/95/775510395.db2.gz YHVYJHOROOACJA-ZJUUUORDSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@H](CNC(=O)c1cnn(C)n1)NCC(N)=O ZINC001269481929 775510543 /nfs/dbraw/zinc/51/05/43/775510543.db2.gz JSQUBSIDZKGIRT-SSDOTTSWSA-N 0 3 254.294 -1.602 20 0 CAADHN CC[C@@H](CNC(=O)C(=O)Nc1cc(C)on1)NCC(N)=O ZINC001269509455 775510604 /nfs/dbraw/zinc/51/06/04/775510604.db2.gz JGLVNTRDPIHHEW-QMMMGPOBSA-N 0 3 297.315 -1.109 20 0 CAADHN CC[C@@H](CNC(=O)CN1C(=O)CNC1=O)NCCF ZINC001269503064 775510892 /nfs/dbraw/zinc/51/08/92/775510892.db2.gz NJMJOLRXLZTYHY-QMMMGPOBSA-N 0 3 274.296 -1.008 20 0 CAADHN CC[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)NCC(N)=O ZINC001269520260 775511796 /nfs/dbraw/zinc/51/17/96/775511796.db2.gz LQHWXTIUKPHPLU-YUMQZZPRSA-N 0 3 284.316 -1.991 20 0 CAADHN C[C@H](NCC1(NC(=O)C(N)=O)CCCC1)C(=O)N(C)C ZINC001269572460 775512796 /nfs/dbraw/zinc/51/27/96/775512796.db2.gz UPWNNKDTRXXUCX-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN CCCNC(=O)CNC[C@](C)(NC(=O)C(N)=O)C1CC1 ZINC001269634605 775515108 /nfs/dbraw/zinc/51/51/08/775515108.db2.gz QSGLVVIMGXEUGI-ZDUSSCGKSA-N 0 3 284.360 -1.128 20 0 CAADHN CN1CCOC[C@H]1C(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075708344 775518679 /nfs/dbraw/zinc/51/86/79/775518679.db2.gz CRMXYQFVVURQEJ-XQQFMLRXSA-N 0 3 283.372 -1.158 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075708346 775518724 /nfs/dbraw/zinc/51/87/24/775518724.db2.gz CRMXYQFVVURQEJ-YNEHKIRRSA-N 0 3 283.372 -1.158 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001270074793 775521122 /nfs/dbraw/zinc/52/11/22/775521122.db2.gz FYNQMPYTFHLYNA-RKDXNWHRSA-N 0 3 284.360 -1.048 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCCNC1=O ZINC001270076167 775521132 /nfs/dbraw/zinc/52/11/32/775521132.db2.gz NNDFJZOSBMJLHC-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCCNC1=O ZINC001270076166 775522362 /nfs/dbraw/zinc/52/23/62/775522362.db2.gz NNDFJZOSBMJLHC-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@@H](NC(=O)CNC[C@H]1CCCN1C(=O)C(N)=O)C1CC1 ZINC001270121894 775523203 /nfs/dbraw/zinc/52/32/03/775523203.db2.gz PWLDYOPOYFWOTL-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1ncc[nH]1)C(=O)NC(N)=O ZINC001126447646 775523291 /nfs/dbraw/zinc/52/32/91/775523291.db2.gz JAVHYISYLXOKQX-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001270120674 775523646 /nfs/dbraw/zinc/52/36/46/775523646.db2.gz HOFXNXRMFDQPSQ-DTWKUNHWSA-N 0 3 282.344 -1.294 20 0 CAADHN O=C(CN1CCNC(=O)C1)N1CCC[C@@H]1CNCCF ZINC001270106013 775523854 /nfs/dbraw/zinc/52/38/54/775523854.db2.gz VXLXHTZMUJIHCS-LLVKDONJSA-N 0 3 286.351 -1.032 20 0 CAADHN C[C@H](NC(=O)CNC[C@H]1CCCN1C(=O)C(N)=O)C1CC1 ZINC001270121892 775523938 /nfs/dbraw/zinc/52/39/38/775523938.db2.gz PWLDYOPOYFWOTL-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001075734142 775524764 /nfs/dbraw/zinc/52/47/64/775524764.db2.gz LTLRPHZLEFHZNU-WCQYABFASA-N 0 3 281.356 -1.010 20 0 CAADHN COCC(=O)N(C)CCOCCN[C@H]1CCCNC1=O ZINC001284853115 775525087 /nfs/dbraw/zinc/52/50/87/775525087.db2.gz MIDMLXPPHGQVBQ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1CCC(O)CC1 ZINC001126453629 775525965 /nfs/dbraw/zinc/52/59/65/775525965.db2.gz VCOWTTWMJFARCO-UHFFFAOYSA-N 0 3 286.332 -1.562 20 0 CAADHN COC[C@H](O)CN1CC=C(CNC(=O)CNC(C)=O)CC1 ZINC001284877782 775526800 /nfs/dbraw/zinc/52/68/00/775526800.db2.gz HKIJDMMALJDVQO-CYBMUJFWSA-N 0 3 299.371 -1.122 20 0 CAADHN CC(C)N1CC[C@H](NS(=O)(=O)C2CNC2)C1=O ZINC000721774687 775528362 /nfs/dbraw/zinc/52/83/62/775528362.db2.gz ATKYXYPCIDRCBQ-VIFPVBQESA-N 0 3 261.347 -1.113 20 0 CAADHN CCOC(=O)[C@@H]1CNCCN1CCn1cnnn1 ZINC000712617347 775528716 /nfs/dbraw/zinc/52/87/16/775528716.db2.gz RHPLYVZISCNMES-VIFPVBQESA-N 0 3 254.294 -1.490 20 0 CAADHN CC(C)[C@H](C(=O)N1CC(NC(=O)CC(N)=O)C1)N(C)C ZINC001284894280 775529159 /nfs/dbraw/zinc/52/91/59/775529159.db2.gz IKIAPNMFTXKMPW-GFCCVEGCSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@H]1CCCN1CC(=O)N1CC(NC(=O)CC(N)=O)C1 ZINC001284894169 775529008 /nfs/dbraw/zinc/52/90/08/775529008.db2.gz GQLYNTCNZYHVRY-VIFPVBQESA-N 0 3 282.344 -1.327 20 0 CAADHN CN(C)CCN1CC[C@@]2(CCN(C(=O)CO)C2)C1=O ZINC001270424545 775533591 /nfs/dbraw/zinc/53/35/91/775533591.db2.gz VCDVKHFKKUZVRA-ZDUSSCGKSA-N 0 3 269.345 -1.009 20 0 CAADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(C(=O)CO)C2 ZINC001270425016 775533289 /nfs/dbraw/zinc/53/32/89/775533289.db2.gz ZGRYOCMALCETTG-AWEZNQCLSA-N 0 3 299.371 -1.382 20 0 CAADHN CN(C)CCN1C(=O)COCC12CN(C(=O)CO)C2 ZINC001270424209 775533500 /nfs/dbraw/zinc/53/35/00/775533500.db2.gz SWJRBYBJOYJHAO-UHFFFAOYSA-N 0 3 271.317 -2.020 20 0 CAADHN CN(C)CCN1C[C@@]2(CC1=O)COCCN(C(=O)CO)C2 ZINC001270425017 775533522 /nfs/dbraw/zinc/53/35/22/775533522.db2.gz ZGRYOCMALCETTG-CQSZACIVSA-N 0 3 299.371 -1.382 20 0 CAADHN C[C@H](O)CN1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149139480 775537028 /nfs/dbraw/zinc/53/70/28/775537028.db2.gz ZYJFFUGXFFIPBQ-VHSXEESVSA-N 0 3 288.348 -1.757 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@]1(C)CCN(CCO)C1 ZINC001270577111 775537584 /nfs/dbraw/zinc/53/75/84/775537584.db2.gz OQAPGHBOKLPCED-GZMMTYOYSA-N 0 3 258.322 -1.384 20 0 CAADHN CC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001270694815 775543498 /nfs/dbraw/zinc/54/34/98/775543498.db2.gz DJQWZCINBCHBAX-GARJFASQSA-N 0 3 255.318 -1.354 20 0 CAADHN CC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2[C@@H]1CCN2C ZINC001270696162 775543976 /nfs/dbraw/zinc/54/39/76/775543976.db2.gz SOKNEPFCJHDHHF-DCAQKATOSA-N 0 3 255.318 -1.212 20 0 CAADHN CN(C)CCN1CC2(CN(C(=O)C3(O)CC3)C2)OCC1=O ZINC001270740765 775544130 /nfs/dbraw/zinc/54/41/30/775544130.db2.gz NFMOLRMSRKKOHY-UHFFFAOYSA-N 0 3 297.355 -1.487 20 0 CAADHN NC(=O)CNC1(CNC(=O)C2(C(N)=O)CC2)CCCC1 ZINC001270786077 775545526 /nfs/dbraw/zinc/54/55/26/775545526.db2.gz UDCQOPZVMXHKOK-UHFFFAOYSA-N 0 3 282.344 -1.244 20 0 CAADHN C[C@H](NC1(CNC(=O)C(N)=O)CCCC1)C(=O)N(C)C ZINC001270786266 775545569 /nfs/dbraw/zinc/54/55/69/775545569.db2.gz VTFMSVGWILSUHP-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)NC1(CNC(=O)C(N)=O)CCCC1 ZINC001270786472 775545662 /nfs/dbraw/zinc/54/56/62/775545662.db2.gz ZSWPBTDGDFWSSL-MRVPVSSYSA-N 0 3 270.333 -1.375 20 0 CAADHN CN1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001270795643 775547118 /nfs/dbraw/zinc/54/71/18/775547118.db2.gz ASRQKFMJAJCXLG-UTLUCORTSA-N 0 3 273.358 -1.017 20 0 CAADHN CO[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1CC1 ZINC001126486499 775548514 /nfs/dbraw/zinc/54/85/14/775548514.db2.gz AIEHTZQYOXMEMH-VIFPVBQESA-N 0 3 272.305 -1.688 20 0 CAADHN CC[C@H](O)C(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001270826612 775548742 /nfs/dbraw/zinc/54/87/42/775548742.db2.gz SKRNRIRTHKOJIN-NSHDSACASA-N 0 3 299.371 -1.241 20 0 CAADHN CO[C@H](C(=O)NCCNCCNS(C)(=O)=O)C1CC1 ZINC001126493664 775549338 /nfs/dbraw/zinc/54/93/38/775549338.db2.gz FYOPFZRUFPIQKZ-JTQLQIEISA-N 0 3 293.389 -1.334 20 0 CAADHN CO[C@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001126500382 775552424 /nfs/dbraw/zinc/55/24/24/775552424.db2.gz DPGBYIGXXNLCJN-APPZFPTMSA-N 0 3 286.332 -1.299 20 0 CAADHN CO[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001126500384 775552646 /nfs/dbraw/zinc/55/26/46/775552646.db2.gz DPGBYIGXXNLCJN-CBAPKCEASA-N 0 3 286.332 -1.299 20 0 CAADHN CN(C)CCN1CC2(CN(C(=O)[C@H]3CCO3)C2)OCC1=O ZINC001270868277 775553837 /nfs/dbraw/zinc/55/38/37/775553837.db2.gz DXBDYFGKMOBGII-LLVKDONJSA-N 0 3 297.355 -1.223 20 0 CAADHN CN(C)CCN1C(=O)COCC12CN(C(=O)[C@@H]1CCO1)C2 ZINC001270872349 775554768 /nfs/dbraw/zinc/55/47/68/775554768.db2.gz WRXLVDFDMHJLTC-NSHDSACASA-N 0 3 297.355 -1.223 20 0 CAADHN CN(C)CCN1C(=O)COCC12CN(C(=O)[C@H]1CCO1)C2 ZINC001270872348 775554849 /nfs/dbraw/zinc/55/48/49/775554849.db2.gz WRXLVDFDMHJLTC-LLVKDONJSA-N 0 3 297.355 -1.223 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001149318301 775556251 /nfs/dbraw/zinc/55/62/51/775556251.db2.gz UNTHZMBZTTZYQI-MNOVXSKESA-N 0 3 282.344 -1.551 20 0 CAADHN O=C(CN1CCOCC1)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083414586 775556469 /nfs/dbraw/zinc/55/64/69/775556469.db2.gz LCZHPNGESCKMQT-OLZOCXBDSA-N 0 3 283.372 -1.110 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)Cn1cccn1 ZINC001270894149 775556946 /nfs/dbraw/zinc/55/69/46/775556946.db2.gz AGNQLRHEJLWJMX-SECBINFHSA-N 0 3 253.306 -1.195 20 0 CAADHN C[C@H](NCCNC(=O)c1cnnn1C)C(=O)N(C)C ZINC001126528199 775557922 /nfs/dbraw/zinc/55/79/22/775557922.db2.gz HBGXBEZYBPWYNP-QMMMGPOBSA-N 0 3 268.321 -1.389 20 0 CAADHN Cn1nncc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126522760 775557977 /nfs/dbraw/zinc/55/79/77/775557977.db2.gz DADBNTHYUZYUFJ-SSDOTTSWSA-N 0 3 280.288 -2.060 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001149318672 775558222 /nfs/dbraw/zinc/55/82/22/775558222.db2.gz XMJITBXWFJOTNK-LLVKDONJSA-N 0 3 284.360 -1.303 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cnnn1C)C(N)=O ZINC001126528016 775558240 /nfs/dbraw/zinc/55/82/40/775558240.db2.gz BBZDWJAEIHSVCG-SSDOTTSWSA-N 0 3 254.294 -1.602 20 0 CAADHN Cn1nncc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126522768 775558736 /nfs/dbraw/zinc/55/87/36/775558736.db2.gz DADBNTHYUZYUFJ-ZETCQYMHSA-N 0 3 280.288 -2.060 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)c2cnnn2C)C1=O ZINC001126528055 775558800 /nfs/dbraw/zinc/55/88/00/775558800.db2.gz BYCUVKOSPQUICI-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN COCCN1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149142388 775558901 /nfs/dbraw/zinc/55/89/01/775558901.db2.gz ATOZUTLIJFFAKE-LLVKDONJSA-N 0 3 298.347 -1.473 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001149318678 775558929 /nfs/dbraw/zinc/55/89/29/775558929.db2.gz XMJITBXWFJOTNK-NSHDSACASA-N 0 3 284.360 -1.303 20 0 CAADHN Cn1nncc1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001126524400 775559032 /nfs/dbraw/zinc/55/90/32/775559032.db2.gz QUNOOVBEUBSNEN-MRVPVSSYSA-N 0 3 266.305 -1.587 20 0 CAADHN Cn1nncc1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001126524705 775559054 /nfs/dbraw/zinc/55/90/54/775559054.db2.gz RVJCXHCKRYUTDD-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnnn1C ZINC001126527998 775559145 /nfs/dbraw/zinc/55/91/45/775559145.db2.gz ATMCPXOUBSOKFT-SSDOTTSWSA-N 0 3 254.294 -1.731 20 0 CAADHN COCCN1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149142389 775559239 /nfs/dbraw/zinc/55/92/39/775559239.db2.gz ATOZUTLIJFFAKE-NSHDSACASA-N 0 3 298.347 -1.473 20 0 CAADHN CC[C@H](NCCNC(=O)c1cnnn1C)C(N)=O ZINC001126528019 775559409 /nfs/dbraw/zinc/55/94/09/775559409.db2.gz BBZDWJAEIHSVCG-ZETCQYMHSA-N 0 3 254.294 -1.602 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ncn(C)n1 ZINC001270957545 775560541 /nfs/dbraw/zinc/56/05/41/775560541.db2.gz UYBBEMHFZIETRG-ZETCQYMHSA-N 0 3 254.294 -1.650 20 0 CAADHN Cc1c(C(=O)N(C)[C@@H](C)CNCC(N)=O)nnn1C ZINC001270921304 775560799 /nfs/dbraw/zinc/56/07/99/775560799.db2.gz IBGMHUYVRKNMNT-ZETCQYMHSA-N 0 3 268.321 -1.341 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CC(N)=O)CCOCC1 ZINC001271030476 775562926 /nfs/dbraw/zinc/56/29/26/775562926.db2.gz DCACCHVZRDWLNF-UHFFFAOYSA-N 0 3 286.332 -2.137 20 0 CAADHN O=C1NC[C@@H]2CN(S(=O)(=O)C3CNC3)CCN12 ZINC000721830583 775563239 /nfs/dbraw/zinc/56/32/39/775563239.db2.gz HVTXXPKUISAQGU-SSDOTTSWSA-N 0 3 260.319 -2.003 20 0 CAADHN Cn1nncc1C(=O)NCCNCC(=O)N1CCC1 ZINC001126535302 775563482 /nfs/dbraw/zinc/56/34/82/775563482.db2.gz JFZRENFCRNJROY-UHFFFAOYSA-N 0 3 266.305 -1.633 20 0 CAADHN COC[C@@H](OC)C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001271100851 775566225 /nfs/dbraw/zinc/56/62/25/775566225.db2.gz KCGAKFRRQMCKMW-RKDXNWHRSA-N 0 3 261.322 -1.430 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)C(N)=O ZINC001271084621 775566241 /nfs/dbraw/zinc/56/62/41/775566241.db2.gz YRJBKCNIMXLSLF-MRVPVSSYSA-N 0 3 256.306 -1.860 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@]1(C)CCNC1=O ZINC001271103083 775566468 /nfs/dbraw/zinc/56/64/68/775566468.db2.gz VGTIWEMJYBBYSX-NOZJJQNGSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)N(C)C(=O)C(N)=O ZINC001271083435 775566514 /nfs/dbraw/zinc/56/65/14/775566514.db2.gz QEBWXOVZJQJDPD-BQBZGAKWSA-N 0 3 270.289 -2.287 20 0 CAADHN COC[C@H](OC)C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001271100848 775566615 /nfs/dbraw/zinc/56/66/15/775566615.db2.gz KCGAKFRRQMCKMW-BDAKNGLRSA-N 0 3 261.322 -1.430 20 0 CAADHN COC[C@H](OC)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001271100850 775567070 /nfs/dbraw/zinc/56/70/70/775567070.db2.gz KCGAKFRRQMCKMW-IUCAKERBSA-N 0 3 261.322 -1.430 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@]1(C)CCNC1=O ZINC001271103086 775567226 /nfs/dbraw/zinc/56/72/26/775567226.db2.gz VGTIWEMJYBBYSX-TVQRCGJNSA-N 0 3 284.360 -1.305 20 0 CAADHN Cn1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)cn1 ZINC001271108553 775567268 /nfs/dbraw/zinc/56/72/68/775567268.db2.gz CMGQVCYFDZOKRD-GFCCVEGCSA-N 0 3 268.317 -1.421 20 0 CAADHN Cn1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)cn1 ZINC001271108554 775567405 /nfs/dbraw/zinc/56/74/05/775567405.db2.gz CMGQVCYFDZOKRD-LBPRGKRZSA-N 0 3 268.317 -1.421 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)N(C)C(=O)C(N)=O ZINC001271083443 775567422 /nfs/dbraw/zinc/56/74/22/775567422.db2.gz QEBWXOVZJQJDPD-RNFRBKRXSA-N 0 3 270.289 -2.287 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001271081264 775567589 /nfs/dbraw/zinc/56/75/89/775567589.db2.gz BOYLYTKZSZKVOH-SFYZADRCSA-N 0 3 270.333 -1.438 20 0 CAADHN COCC(=O)NC[C@@]1(O)CCN(CCOCCO)C1 ZINC001271110881 775568254 /nfs/dbraw/zinc/56/82/54/775568254.db2.gz ZAKPGWSGSTXPSV-LBPRGKRZSA-N 0 3 276.333 -1.805 20 0 CAADHN COCC(=O)NC[C@]1(O)CCN(CCOCCO)C1 ZINC001271110880 775568898 /nfs/dbraw/zinc/56/88/98/775568898.db2.gz ZAKPGWSGSTXPSV-GFCCVEGCSA-N 0 3 276.333 -1.805 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1cnnn1C ZINC001126541185 775570252 /nfs/dbraw/zinc/57/02/52/775570252.db2.gz QCRSTCNLCRPICX-UHFFFAOYSA-N 0 3 268.321 -1.341 20 0 CAADHN Cn1nncc1C(=O)NCCNCC(=O)N1CCCC1 ZINC001126540708 775570305 /nfs/dbraw/zinc/57/03/05/775570305.db2.gz DRIBRDRLGACSDH-UHFFFAOYSA-N 0 3 280.332 -1.243 20 0 CAADHN CN(C(=O)CNCCNC(=O)c1cnnn1C)C1CC1 ZINC001126540935 775570655 /nfs/dbraw/zinc/57/06/55/775570655.db2.gz KSHYXRPHPGRALG-UHFFFAOYSA-N 0 3 280.332 -1.245 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@@H](CCNC(=O)C(N)=O)C1 ZINC001059351334 775570750 /nfs/dbraw/zinc/57/07/50/775570750.db2.gz BKQSLGNNKDBXNX-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@H](CCNC(=O)C(N)=O)C1 ZINC001059351335 775570853 /nfs/dbraw/zinc/57/08/53/775570853.db2.gz BKQSLGNNKDBXNX-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1nncc1C(=O)NCCNCC(=O)NCC1CC1 ZINC001126540734 775571139 /nfs/dbraw/zinc/57/11/39/775571139.db2.gz FWRVPUDEHVQPLX-UHFFFAOYSA-N 0 3 280.332 -1.339 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1 ZINC001083417392 775571371 /nfs/dbraw/zinc/57/13/71/775571371.db2.gz PCOSUFLCMRGWOD-UTUOFQBUSA-N 0 3 271.361 -1.113 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)C1(C(=O)NC)CC1 ZINC001271137779 775573957 /nfs/dbraw/zinc/57/39/57/775573957.db2.gz SFENEKBMYMYCEK-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CCN1CCO ZINC001087685940 775574727 /nfs/dbraw/zinc/57/47/27/775574727.db2.gz GXRDJABGKHINJS-GARJFASQSA-N 0 3 284.360 -1.029 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCOCCO)C1)c1ncc[nH]1 ZINC001271144848 775575312 /nfs/dbraw/zinc/57/53/12/775575312.db2.gz HDAJGQUSNOZOFJ-ZDUSSCGKSA-N 0 3 298.343 -1.415 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1COC(=O)N1)NC1CC1 ZINC001126547902 775575646 /nfs/dbraw/zinc/57/56/46/775575646.db2.gz CDNRMAOWOLMICZ-MRVPVSSYSA-N 0 3 270.289 -1.921 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCOCCO)C1)c1ncc[nH]1 ZINC001271144847 775576182 /nfs/dbraw/zinc/57/61/82/775576182.db2.gz HDAJGQUSNOZOFJ-CYBMUJFWSA-N 0 3 298.343 -1.415 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)N(C)C(=O)c1cnon1 ZINC001271147292 775576307 /nfs/dbraw/zinc/57/63/07/775576307.db2.gz PBPGQFIFBUOVBM-JGVFFNPUSA-N 0 3 295.299 -1.075 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126547848 775576394 /nfs/dbraw/zinc/57/63/94/775576394.db2.gz BHRXOBASRICGMU-YFKPBYRVSA-N 0 3 273.249 -3.005 20 0 CAADHN Cn1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)nn1 ZINC001271146233 775576432 /nfs/dbraw/zinc/57/64/32/775576432.db2.gz VBRKNVLMXFKHGK-LLVKDONJSA-N 0 3 269.305 -2.026 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)N(C)C(=O)c1cnon1 ZINC001271147287 775576501 /nfs/dbraw/zinc/57/65/01/775576501.db2.gz PBPGQFIFBUOVBM-HTQZYQBOSA-N 0 3 295.299 -1.075 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548804 775577372 /nfs/dbraw/zinc/57/73/72/775577372.db2.gz STAJMTDCNVLKHA-QMMMGPOBSA-N 0 3 272.305 -1.675 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1COC(=O)N1)NCC1CC1 ZINC001126547921 775578329 /nfs/dbraw/zinc/57/83/29/775578329.db2.gz CNCOTUINGNQWTP-VIFPVBQESA-N 0 3 284.316 -1.673 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1COC(=O)N1)NCC1CC1 ZINC001126547919 775578504 /nfs/dbraw/zinc/57/85/04/775578504.db2.gz CNCOTUINGNQWTP-SECBINFHSA-N 0 3 284.316 -1.673 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126549203 775579233 /nfs/dbraw/zinc/57/92/33/775579233.db2.gz ZBNZZEZVXKHYQA-RKDXNWHRSA-N 0 3 286.332 -1.285 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126549202 775579472 /nfs/dbraw/zinc/57/94/72/775579472.db2.gz ZBNZZEZVXKHYQA-IUCAKERBSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1COC(=O)N1)C(=O)N(C)C ZINC001126552705 775580483 /nfs/dbraw/zinc/58/04/83/775580483.db2.gz DVTSFRSOTJWSQT-HTQZYQBOSA-N 0 3 272.305 -1.723 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1COC(=O)N1)NC1CCCC1 ZINC001126549139 775580531 /nfs/dbraw/zinc/58/05/31/775580531.db2.gz XUYUSJZHPHIIBW-SNVBAGLBSA-N 0 3 298.343 -1.141 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126555349 775581324 /nfs/dbraw/zinc/58/13/24/775581324.db2.gz XHNYDGRKJWVNBY-ZETCQYMHSA-N 0 3 294.333 -2.650 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001126554070 775581410 /nfs/dbraw/zinc/58/14/10/775581410.db2.gz MTQQHKOLCPJFHH-SCZZXKLOSA-N 0 3 298.343 -1.285 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126555342 775581878 /nfs/dbraw/zinc/58/18/78/775581878.db2.gz XHNYDGRKJWVNBY-SSDOTTSWSA-N 0 3 294.333 -2.650 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083419601 775585126 /nfs/dbraw/zinc/58/51/26/775585126.db2.gz OCDJLDXUGNJZQR-BDAKNGLRSA-N 0 3 269.305 -1.445 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1COC(=O)N1)C(=O)NC(N)=O ZINC001126562117 775586353 /nfs/dbraw/zinc/58/63/53/775586353.db2.gz VINXXKCJIXDLII-RITPCOANSA-N 0 3 287.276 -2.616 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001126562248 775586907 /nfs/dbraw/zinc/58/69/07/775586907.db2.gz WSVCOSFNVHAEQT-RKDXNWHRSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1COC(=O)N1)C(=O)NC1CC1 ZINC001126561503 775586923 /nfs/dbraw/zinc/58/69/23/775586923.db2.gz QVNXNTUEPGJCAH-APPZFPTMSA-N 0 3 284.316 -1.532 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1COC(=O)N1)C(=O)NC(N)=O ZINC001126562115 775587486 /nfs/dbraw/zinc/58/74/86/775587486.db2.gz VINXXKCJIXDLII-PHDIDXHHSA-N 0 3 287.276 -2.616 20 0 CAADHN CNCc1cc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)ncn1 ZINC001168041713 775588790 /nfs/dbraw/zinc/58/87/90/775588790.db2.gz BYOCMUUCMGCNKQ-QNKRVWAESA-N 0 3 268.317 -1.290 20 0 CAADHN NC(=O)C(=O)NC[C@]1(O)CCN(CCn2cncn2)C1 ZINC001271185209 775592319 /nfs/dbraw/zinc/59/23/19/775592319.db2.gz UTTQKMCMVCHIIJ-LLVKDONJSA-N 0 3 282.304 -2.684 20 0 CAADHN Cn1cc(CCN2CC[C@@](O)(CNC(=O)C(N)=O)C2)cn1 ZINC001271183409 775593071 /nfs/dbraw/zinc/59/30/71/775593071.db2.gz CGBICVYTLLGJFW-CYBMUJFWSA-N 0 3 295.343 -1.999 20 0 CAADHN Cn1cc(CCN2CC[C@](O)(CNC(=O)C(N)=O)C2)cn1 ZINC001271183410 775593109 /nfs/dbraw/zinc/59/31/09/775593109.db2.gz CGBICVYTLLGJFW-ZDUSSCGKSA-N 0 3 295.343 -1.999 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CN1C(=O)CNC1=O ZINC001271198214 775594196 /nfs/dbraw/zinc/59/41/96/775594196.db2.gz RMDYHSCGGYKHFG-ZETCQYMHSA-N 0 3 285.304 -2.540 20 0 CAADHN O=C(Cn1nccn1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075834798 775598504 /nfs/dbraw/zinc/59/85/04/775598504.db2.gz RAYRDBLNBTWBBZ-WDEREUQCSA-N 0 3 265.317 -1.197 20 0 CAADHN CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001271287120 775599982 /nfs/dbraw/zinc/59/99/82/775599982.db2.gz JOIBYKACMFOQTK-GARJFASQSA-N 0 3 282.344 -1.471 20 0 CAADHN CC(C)C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)C(N)=O ZINC001271295236 775601834 /nfs/dbraw/zinc/60/18/34/775601834.db2.gz UJHWVGLTZHYUBR-IUCAKERBSA-N 0 3 298.343 -1.603 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001126574402 775603474 /nfs/dbraw/zinc/60/34/74/775603474.db2.gz VWWFBQLDZCCTQK-WDSKDSINSA-N 0 3 278.259 -1.212 20 0 CAADHN NC(=O)C(=O)N1C[C@H]2CCN([C@H]3CCCNC3=O)C[C@H]2C1 ZINC001088088960 775607119 /nfs/dbraw/zinc/60/71/19/775607119.db2.gz URIPKVONIOTCGQ-VWYCJHECSA-N 0 3 294.355 -1.469 20 0 CAADHN CN1CC[C@H](N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1=O ZINC001088088782 775607864 /nfs/dbraw/zinc/60/78/64/775607864.db2.gz MBQDVEQJSQWHSH-VWYCJHECSA-N 0 3 294.355 -1.517 20 0 CAADHN CN(C)CCN1CC2(CN(C(=O)CCCO)C2)OCC1=O ZINC001271508486 775613723 /nfs/dbraw/zinc/61/37/23/775613723.db2.gz DQPSBSLGUAVUAV-UHFFFAOYSA-N 0 3 299.371 -1.240 20 0 CAADHN C[C@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(N)=O ZINC001271637976 775617460 /nfs/dbraw/zinc/61/74/60/775617460.db2.gz CKEBDDDZGOXILA-JGVFFNPUSA-N 0 3 266.305 -1.412 20 0 CAADHN CCN(C)C(=O)CN[C@@H](CNC(=O)C(N)=O)C(C)C ZINC001271893510 775628193 /nfs/dbraw/zinc/62/81/93/775628193.db2.gz QCRZZCIVHDDJMF-VIFPVBQESA-N 0 3 272.349 -1.320 20 0 CAADHN CN(CCCO)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001272005656 775637569 /nfs/dbraw/zinc/63/75/69/775637569.db2.gz VFGPJUGFRNDWCJ-VIFPVBQESA-N 0 3 259.306 -1.133 20 0 CAADHN NC(=O)CN[C@H]1CCCCCN(C(=O)Cn2cnnn2)C1 ZINC001088259213 775620170 /nfs/dbraw/zinc/62/01/70/775620170.db2.gz BTPCCKLFADIXHX-JTQLQIEISA-N 0 3 295.347 -1.481 20 0 CAADHN CN1CCC(O)(C(=O)N2CC3(C[C@H]3C(N)=O)C2)CC1 ZINC001271736982 775621245 /nfs/dbraw/zinc/62/12/45/775621245.db2.gz WZHMWWIVLUPMCV-VIFPVBQESA-N 0 3 267.329 -1.223 20 0 CAADHN COCCNCC(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714247981 775621652 /nfs/dbraw/zinc/62/16/52/775621652.db2.gz UFZOTOXZUHDGIO-KYZUINATSA-N 0 3 264.347 -1.086 20 0 CAADHN CN1CCC(O)(C(=O)N2CC[C@H]3C[C@]32C(N)=O)CC1 ZINC001271735955 775621772 /nfs/dbraw/zinc/62/17/72/775621772.db2.gz HZHKJVNPPGYBMF-TVQRCGJNSA-N 0 3 267.329 -1.081 20 0 CAADHN CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CNCCN2)C1 ZINC000714246373 775622270 /nfs/dbraw/zinc/62/22/70/775622270.db2.gz ZGEQYHSQUOSSJJ-CIUDSAMLSA-N 0 3 261.347 -1.760 20 0 CAADHN COC(=O)[C@H](O)CN[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714248863 775622382 /nfs/dbraw/zinc/62/23/82/775622382.db2.gz PYKJOXSGBNGQHS-BWZBUEFSSA-N 0 3 251.304 -1.315 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](O)C(C)C ZINC001126622094 775623124 /nfs/dbraw/zinc/62/31/24/775623124.db2.gz FONUCXURQIMJNL-RKDXNWHRSA-N 0 3 288.348 -1.447 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](NCC(N)=O)C(C)C ZINC001271798670 775623445 /nfs/dbraw/zinc/62/34/45/775623445.db2.gz HPMYHPXKTKKYKO-VIFPVBQESA-N 0 3 258.322 -1.662 20 0 CAADHN CN1CCC(O)(C(=O)N2C[C@H]3CN(C)C[C@@H](C2)O3)CC1 ZINC001271802136 775623505 /nfs/dbraw/zinc/62/35/05/775623505.db2.gz QUSRECKQSFSKIQ-TXEJJXNPSA-N 0 3 283.372 -1.016 20 0 CAADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001088307441 775623641 /nfs/dbraw/zinc/62/36/41/775623641.db2.gz WLCYXCKIRHWDGH-NXEZZACHSA-N 0 3 298.343 -1.059 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126619689 775623803 /nfs/dbraw/zinc/62/38/03/775623803.db2.gz STBWIQZTBQPNOY-PSASIEDQSA-N 0 3 271.317 -1.486 20 0 CAADHN C[C@@H]1C[C@@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CCO1 ZINC001168086015 775624157 /nfs/dbraw/zinc/62/41/57/775624157.db2.gz CBDIGLOQQMCDQO-RWHZVYADSA-N 0 3 277.317 -2.057 20 0 CAADHN CCCC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001271873713 775627833 /nfs/dbraw/zinc/62/78/33/775627833.db2.gz MQFNQMTZSLDSGY-AXFHLTTASA-N 0 3 296.371 -1.094 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)C(N)=O)C(C)C ZINC001271891041 775627889 /nfs/dbraw/zinc/62/78/89/775627889.db2.gz BIOFOXFMIZLFJN-QMMMGPOBSA-N 0 3 258.322 -1.662 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C(=O)NCC1CC1)C(C)C ZINC001271915441 775629269 /nfs/dbraw/zinc/62/92/69/775629269.db2.gz JWBDLCUNIQPWKS-LLVKDONJSA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@@H](N[C@@H]1CCCCCN(C(=O)C(N)=O)C1)C(N)=O ZINC001088371170 775631742 /nfs/dbraw/zinc/63/17/42/775631742.db2.gz BRGYJAAYYDWODA-RKDXNWHRSA-N 0 3 270.333 -1.294 20 0 CAADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001088359731 775631776 /nfs/dbraw/zinc/63/17/76/775631776.db2.gz FVQUIZJWTFEPEG-GHMZBOCLSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H](N[C@H]1CCCCCN(C(=O)C(N)=O)C1)C(N)=O ZINC001088371167 775632117 /nfs/dbraw/zinc/63/21/17/775632117.db2.gz BRGYJAAYYDWODA-BDAKNGLRSA-N 0 3 270.333 -1.294 20 0 CAADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001088371676 775632231 /nfs/dbraw/zinc/63/22/31/775632231.db2.gz MURXJNHGAUFDGV-ZJUUUORDSA-N 0 3 297.359 -1.486 20 0 CAADHN NC(=O)C(=O)N1CCCCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001088371644 775632342 /nfs/dbraw/zinc/63/23/42/775632342.db2.gz LYVNQGNOAIOTFA-UWVGGRQHSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)C(=O)N1CCCCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001088371645 775632428 /nfs/dbraw/zinc/63/24/28/775632428.db2.gz LYVNQGNOAIOTFA-VHSXEESVSA-N 0 3 282.344 -1.279 20 0 CAADHN C[C@H](N[C@@H]1CCCCCN(C(=O)C(N)=O)C1)C(N)=O ZINC001088371168 775632644 /nfs/dbraw/zinc/63/26/44/775632644.db2.gz BRGYJAAYYDWODA-DTWKUNHWSA-N 0 3 270.333 -1.294 20 0 CAADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001088382794 775636011 /nfs/dbraw/zinc/63/60/11/775636011.db2.gz MCYNAYKGJQWRRC-MXWKQRLJSA-N 0 3 296.371 -1.046 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCNCC(=O)NC1CC1 ZINC001126631276 775636522 /nfs/dbraw/zinc/63/65/22/775636522.db2.gz AHGYRJWRRZNQLJ-LLVKDONJSA-N 0 3 257.334 -1.012 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCNCC(=O)N1CCOCC1 ZINC001126631470 775637416 /nfs/dbraw/zinc/63/74/16/775637416.db2.gz DUSVCZMZTUWDCC-GFCCVEGCSA-N 0 3 287.360 -1.432 20 0 CAADHN CCOC1CC(C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001126642268 775640166 /nfs/dbraw/zinc/64/01/66/775640166.db2.gz WSAUNMQDTBYACJ-UHFFFAOYSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1cn(C)nn1 ZINC001126649603 775641705 /nfs/dbraw/zinc/64/17/05/775641705.db2.gz CWPAHVMDHVORBT-UHFFFAOYSA-N 0 3 268.321 -1.341 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cn(C)nn1 ZINC001126650544 775641773 /nfs/dbraw/zinc/64/17/73/775641773.db2.gz QIRWFDASLAEFHG-UHFFFAOYSA-N 0 3 283.292 -2.410 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCCN(C)C2=O)nn1 ZINC001126653689 775641911 /nfs/dbraw/zinc/64/19/11/775641911.db2.gz DGSNOCCZDLFFHH-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)nn1 ZINC001126653730 775641951 /nfs/dbraw/zinc/64/19/51/775641951.db2.gz GBGBCWOCUVVOJV-SSDOTTSWSA-N 0 3 280.288 -2.060 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)nn1 ZINC001126653576 775642245 /nfs/dbraw/zinc/64/22/45/775642245.db2.gz ARMNDGYKBBXWSN-SSDOTTSWSA-N 0 3 254.294 -1.731 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)NC2CC2)nn1 ZINC001126650330 775642313 /nfs/dbraw/zinc/64/23/13/775642313.db2.gz MLKDGHARTPBBDS-UHFFFAOYSA-N 0 3 266.305 -1.587 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC000986591121 775642396 /nfs/dbraw/zinc/64/23/96/775642396.db2.gz ZGUSVTMHSKXYCQ-RKDXNWHRSA-N 0 3 293.327 -1.542 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCCN(C)C2=O)nn1 ZINC001126653688 775642590 /nfs/dbraw/zinc/64/25/90/775642590.db2.gz DGSNOCCZDLFFHH-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cn(C)nn1 ZINC001126649570 775642596 /nfs/dbraw/zinc/64/25/96/775642596.db2.gz CFEHVTNTZMCSAK-UHFFFAOYSA-N 0 3 254.294 -1.777 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC000986591119 775642602 /nfs/dbraw/zinc/64/26/02/775642602.db2.gz ZGUSVTMHSKXYCQ-DTWKUNHWSA-N 0 3 293.327 -1.542 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCCNC2=O)nn1 ZINC001126653796 775643213 /nfs/dbraw/zinc/64/32/13/775643213.db2.gz INGJRRQTHFHMRI-MRVPVSSYSA-N 0 3 266.305 -1.587 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CCN1CCO ZINC001088532366 775643718 /nfs/dbraw/zinc/64/37/18/775643718.db2.gz MXHGTTUWVFHPBH-GRYCIOLGSA-N 0 3 271.361 -1.112 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cc1nnc(C)o1 ZINC001126672645 775646607 /nfs/dbraw/zinc/64/66/07/775646607.db2.gz UYYSSXXOHCCKHZ-SSDOTTSWSA-N 0 3 269.305 -1.239 20 0 CAADHN CN(C(=O)CNCCNC(=O)c1ncn(C)n1)C1CC1 ZINC001126678067 775647116 /nfs/dbraw/zinc/64/71/16/775647116.db2.gz LXQUEMCBOVRZDR-UHFFFAOYSA-N 0 3 280.332 -1.245 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(=O)N2CCC2)n1 ZINC001126678192 775647224 /nfs/dbraw/zinc/64/72/24/775647224.db2.gz NQRQYXCSVLNLFY-UHFFFAOYSA-N 0 3 266.305 -1.633 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)n1 ZINC001126677711 775647269 /nfs/dbraw/zinc/64/72/69/775647269.db2.gz CHLAAFFPCWCJCA-ZETCQYMHSA-N 0 3 280.288 -2.060 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(=O)NCC2CC2)n1 ZINC001126678090 775647840 /nfs/dbraw/zinc/64/78/40/775647840.db2.gz MJZBEDALJOOAEZ-UHFFFAOYSA-N 0 3 280.332 -1.339 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)c2ncn(C)n2)C1=O ZINC001126684040 775649010 /nfs/dbraw/zinc/64/90/10/775649010.db2.gz FGAJWACRAYLKAX-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)c2ncn(C)n2)C1=O ZINC001126684042 775649080 /nfs/dbraw/zinc/64/90/80/775649080.db2.gz FGAJWACRAYLKAX-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@@H](NCCNC(=O)c1ncn(C)n1)C(=O)NC1CC1 ZINC001126688235 775649542 /nfs/dbraw/zinc/64/95/42/775649542.db2.gz CBPVLGKHTRUBNY-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](NCCNC(=O)c1ncn(C)n1)C(=O)NC(N)=O ZINC001126688325 775650393 /nfs/dbraw/zinc/65/03/93/775650393.db2.gz FDZVHUMTPBCMPH-ZCFIWIBFSA-N 0 3 283.292 -2.282 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CCNC(=O)NC)C1=O ZINC001126692617 775650606 /nfs/dbraw/zinc/65/06/06/775650606.db2.gz CVTXQDMQGXUURY-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ncn(C)n1 ZINC001126689503 775650874 /nfs/dbraw/zinc/65/08/74/775650874.db2.gz YGCRPEMAKBFZSQ-SSDOTTSWSA-N 0 3 297.319 -2.021 20 0 CAADHN C[C@H](NCCNC(=O)c1ncn(C)n1)C(=O)NC(N)=O ZINC001126688322 775651049 /nfs/dbraw/zinc/65/10/49/775651049.db2.gz FDZVHUMTPBCMPH-LURJTMIESA-N 0 3 283.292 -2.282 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001126692785 775651148 /nfs/dbraw/zinc/65/11/48/775651148.db2.gz GUGNBERWDXMNKO-MRVPVSSYSA-N 0 3 271.321 -2.100 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001126698391 775651171 /nfs/dbraw/zinc/65/11/71/775651171.db2.gz SDSMQLXHJRTEPU-SECBINFHSA-N 0 3 299.375 -1.322 20 0 CAADHN CNC(=O)NCCC(=O)NCCNCc1ccnn1C ZINC001126688407 775651179 /nfs/dbraw/zinc/65/11/79/775651179.db2.gz HKQOVVMMPFKXLX-UHFFFAOYSA-N 0 3 282.348 -1.055 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@@H](C)C(N)=O ZINC001126692794 775651438 /nfs/dbraw/zinc/65/14/38/775651438.db2.gz HDVRHNQWOGNTQO-ZETCQYMHSA-N 0 3 259.310 -2.115 20 0 CAADHN CC[C@@H](NCCNC(=O)CCNC(=O)NC)C(N)=O ZINC001126697996 775651553 /nfs/dbraw/zinc/65/15/53/775651553.db2.gz KPQJEEJYOILNHJ-MRVPVSSYSA-N 0 3 273.337 -1.725 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)c1cnon1 ZINC001114995021 775651672 /nfs/dbraw/zinc/65/16/72/775651672.db2.gz VBVIIZGFSLCUGI-JZYVYDRUSA-N 0 3 282.300 -1.262 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126693301 775651735 /nfs/dbraw/zinc/65/17/35/775651735.db2.gz UGBHDHACZKWBKF-MRVPVSSYSA-N 0 3 299.331 -2.184 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)n1 ZINC001126705649 775653096 /nfs/dbraw/zinc/65/30/96/775653096.db2.gz CVRLMWRUBRYXLS-MRVPVSSYSA-N 0 3 294.315 -1.577 20 0 CAADHN CCn1ncc(C(=O)NCCNCC(=O)NC)n1 ZINC001126707317 775653131 /nfs/dbraw/zinc/65/31/31/775653131.db2.gz WSXAQLIWJLPLCR-UHFFFAOYSA-N 0 3 254.294 -1.637 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnn(CC)n1 ZINC001126706149 775653401 /nfs/dbraw/zinc/65/34/01/775653401.db2.gz HNTGUKVAHDOWOB-UHFFFAOYSA-N 0 3 268.321 -1.247 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@H]2CCCNC2=O)n1 ZINC001126706619 775653540 /nfs/dbraw/zinc/65/35/40/775653540.db2.gz NPHOTMZGJZVCEV-VIFPVBQESA-N 0 3 280.332 -1.104 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cnn(CC)n1)C(N)=O ZINC001126712326 775654131 /nfs/dbraw/zinc/65/41/31/775654131.db2.gz QUJIRIUUVRFKHS-MRVPVSSYSA-N 0 3 268.321 -1.119 20 0 CAADHN CC[C@H](NCCNC(=O)c1cnnn1CC)C(N)=O ZINC001126721558 775655093 /nfs/dbraw/zinc/65/50/93/775655093.db2.gz NAMCDNNXLVEAHL-QMMMGPOBSA-N 0 3 268.321 -1.119 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@@H]2CCN(C)C2=O)n1 ZINC001126717243 775655222 /nfs/dbraw/zinc/65/52/22/775655222.db2.gz WOQNUTCZJZPPBJ-SECBINFHSA-N 0 3 280.332 -1.152 20 0 CAADHN CCn1nncc1C(=O)NCCNCC(=O)N(C)C ZINC001126721576 775655402 /nfs/dbraw/zinc/65/54/02/775655402.db2.gz OFLJQKNDYVHOBP-UHFFFAOYSA-N 0 3 268.321 -1.294 20 0 CAADHN CCn1nncc1C(=O)NCCNCC(=O)NC(N)=O ZINC001126721598 775655496 /nfs/dbraw/zinc/65/54/96/775655496.db2.gz OYQCWNWAQNDKHA-UHFFFAOYSA-N 0 3 283.292 -2.188 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001126726505 775658180 /nfs/dbraw/zinc/65/81/80/775658180.db2.gz BULVQSOJWXWJHD-VIFPVBQESA-N 0 3 280.332 -1.152 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1CCO ZINC001088570838 775658220 /nfs/dbraw/zinc/65/82/20/775658220.db2.gz RFMDSQXJJLLSIO-BDAKNGLRSA-N 0 3 254.294 -1.756 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnnn1CC ZINC001126733304 775660668 /nfs/dbraw/zinc/66/06/68/775660668.db2.gz UVNWFKDDVWGXFD-UHFFFAOYSA-N 0 3 268.321 -1.247 20 0 CAADHN CCn1nncc1C(=O)NCCNCC(=O)NC1CC1 ZINC001126733282 775660821 /nfs/dbraw/zinc/66/08/21/775660821.db2.gz SNNVJZCDUKSHCX-UHFFFAOYSA-N 0 3 280.332 -1.104 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001126733254 775660839 /nfs/dbraw/zinc/66/08/39/775660839.db2.gz RMYFRBNZHWPKSZ-ZETCQYMHSA-N 0 3 297.319 -1.799 20 0 CAADHN C[C@H]1C[C@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)CC(N)=O ZINC000988431263 775662008 /nfs/dbraw/zinc/66/20/08/775662008.db2.gz KFKSLDBCPGLEHD-YUMQZZPRSA-N 0 3 296.331 -1.937 20 0 CAADHN Cn1nncc1C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001083437245 775663167 /nfs/dbraw/zinc/66/31/67/775663167.db2.gz IVUSXVCQUMEOHH-FOGDFJRCSA-N 0 3 295.343 -1.374 20 0 CAADHN Cc1c(C(=O)N2C[C@H](NCC(N)=O)C[C@@H]2C)nnn1C ZINC000988474566 775665393 /nfs/dbraw/zinc/66/53/93/775665393.db2.gz WOUJYKIFQNLCIG-IONNQARKSA-N 0 3 280.332 -1.199 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)C1CC1 ZINC001272091440 775667075 /nfs/dbraw/zinc/66/70/75/775667075.db2.gz UIAGVKQULCSOLN-UHFFFAOYSA-N 0 3 257.334 -1.057 20 0 CAADHN CNC(=O)C1(C(=O)NCCCNCc2cnnn2C)CC1 ZINC001168269983 775671037 /nfs/dbraw/zinc/67/10/37/775671037.db2.gz XEJHQOHUGYXTBQ-UHFFFAOYSA-N 0 3 294.359 -1.063 20 0 CAADHN NC(=O)NC(=O)CNCCN(CCO)C(=O)C1CCC1 ZINC001272097093 775672695 /nfs/dbraw/zinc/67/26/95/775672695.db2.gz VTHMNWIYZSBPDV-UHFFFAOYSA-N 0 3 286.332 -1.608 20 0 CAADHN COCCN1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC001083452745 775674320 /nfs/dbraw/zinc/67/43/20/775674320.db2.gz ZKEJSYIIDZHMSO-ZJUUUORDSA-N 0 3 283.332 -1.537 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1ccc(=O)[nH]n1 ZINC001272103854 775674922 /nfs/dbraw/zinc/67/49/22/775674922.db2.gz OIWLPYVBWPZPSR-UHFFFAOYSA-N 0 3 297.315 -2.048 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1CCOC1 ZINC001272125253 775676022 /nfs/dbraw/zinc/67/60/22/775676022.db2.gz XRWDWHIIXYKBIZ-SECBINFHSA-N 0 3 259.306 -2.081 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)C[C@@H]1CCCO1 ZINC001272117482 775676708 /nfs/dbraw/zinc/67/67/08/775676708.db2.gz XFPACSDNHDIBMD-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cc(C)nn1C ZINC001272125205 775676750 /nfs/dbraw/zinc/67/67/50/775676750.db2.gz VWPFDAGQKGSAKK-UHFFFAOYSA-N 0 3 297.359 -1.501 20 0 CAADHN CO[C@H](C)C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001272124804 775676960 /nfs/dbraw/zinc/67/69/60/775676960.db2.gz OBGNFDAFOGTPRR-RKDXNWHRSA-N 0 3 261.322 -1.694 20 0 CAADHN CCn1nccc1C(=O)N(CCO)CCNCC(=O)NC ZINC001272150534 775677984 /nfs/dbraw/zinc/67/79/84/775677984.db2.gz YRRBOQUNVBJPBK-UHFFFAOYSA-N 0 3 297.359 -1.327 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)Cc1cc[nH]n1 ZINC001272136351 775678061 /nfs/dbraw/zinc/67/80/61/775678061.db2.gz OYXZLLVYMCGKTB-UHFFFAOYSA-N 0 3 297.359 -1.549 20 0 CAADHN NC(=O)CC(=O)N(CCO)CCN[C@H]1CCCNC1=O ZINC001272130040 775678109 /nfs/dbraw/zinc/67/81/09/775678109.db2.gz YXWFLCHQPBYENA-VIFPVBQESA-N 0 3 286.332 -2.449 20 0 CAADHN CNC(=O)CN(C)CCN(C)C(=O)Cc1ncn[nH]1 ZINC001272152341 775678238 /nfs/dbraw/zinc/67/82/38/775678238.db2.gz ULQFGYVDJNPNQZ-UHFFFAOYSA-N 0 3 268.321 -1.517 20 0 CAADHN C/C=C(\C)C(=O)N(CCO)CCNCC(=O)NC(N)=O ZINC001272142979 775678297 /nfs/dbraw/zinc/67/82/97/775678297.db2.gz PWKYJFIJPUMJBJ-YCRREMRBSA-N 0 3 286.332 -1.442 20 0 CAADHN C/C=C(/C)C(=O)N(CCO)CCNCC(=O)NC(N)=O ZINC001272142978 775678763 /nfs/dbraw/zinc/67/87/63/775678763.db2.gz PWKYJFIJPUMJBJ-OQFOIZHKSA-N 0 3 286.332 -1.442 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@H]1CC1(F)F ZINC001272162732 775680195 /nfs/dbraw/zinc/68/01/95/775680195.db2.gz SNHLWCXPRSMENH-SSDOTTSWSA-N 0 3 265.260 -1.463 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1n[nH]cc1C ZINC001272162544 775680212 /nfs/dbraw/zinc/68/02/12/775680212.db2.gz OOWKUCGFHUCLNO-UHFFFAOYSA-N 0 3 283.332 -1.512 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC1(F)F ZINC001126765674 775681077 /nfs/dbraw/zinc/68/10/77/775681077.db2.gz VUXOIRFYYVJZNG-YFKPBYRVSA-N 0 3 264.232 -1.458 20 0 CAADHN Cc1nn(C)cc1CC(=O)N(CCO)CCNCC(N)=O ZINC001272181935 775681529 /nfs/dbraw/zinc/68/15/29/775681529.db2.gz LJTHFNMPOQYBKV-UHFFFAOYSA-N 0 3 297.359 -1.833 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001272189465 775681825 /nfs/dbraw/zinc/68/18/25/775681825.db2.gz HMGNWOAKWALCIR-MRVPVSSYSA-N 0 3 288.348 -2.218 20 0 CAADHN CNC(=O)NCC(=O)N(CCO)CCNCC(N)=O ZINC001272173747 775682126 /nfs/dbraw/zinc/68/21/26/775682126.db2.gz GWZJTIOFPIFODJ-UHFFFAOYSA-N 0 3 275.309 -3.189 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCN1CCO ZINC001088625629 775682519 /nfs/dbraw/zinc/68/25/19/775682519.db2.gz WELPLOAZYDGBAM-MNOVXSKESA-N 0 3 285.344 -1.584 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CC1(F)F ZINC001126782417 775683136 /nfs/dbraw/zinc/68/31/36/775683136.db2.gz RQEWYRFJBUNQCM-ZETCQYMHSA-N 0 3 285.316 -1.103 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCN1CCO ZINC001088682955 775683266 /nfs/dbraw/zinc/68/32/66/775683266.db2.gz ZBBUNTIKAJMKCQ-ZJUUUORDSA-N 0 3 283.332 -1.847 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CCN1CCO ZINC001088675439 775683966 /nfs/dbraw/zinc/68/39/66/775683966.db2.gz QUZDGRSXRAARHD-NEPJUHHUSA-N 0 3 298.387 -1.668 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC001088682789 775684401 /nfs/dbraw/zinc/68/44/01/775684401.db2.gz NJJJGPVLNANJNZ-MNOVXSKESA-N 0 3 297.359 -1.193 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CN(CCC2CC2)C[C@@H]1O ZINC001083464296 775685445 /nfs/dbraw/zinc/68/54/45/775685445.db2.gz ZLINLHIBLLWKST-MNOVXSKESA-N 0 3 280.332 -1.366 20 0 CAADHN CCCN1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464455 775685867 /nfs/dbraw/zinc/68/58/67/775685867.db2.gz IIBCSFLECGSLGQ-BDAKNGLRSA-N 0 3 254.294 -1.756 20 0 CAADHN CN1CCC[C@H]1C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001168318222 775687324 /nfs/dbraw/zinc/68/73/24/775687324.db2.gz DNRZXAGKDYFXRZ-YIZRAAEISA-N 0 3 268.317 -1.874 20 0 CAADHN Cn1ncc(C(=O)NCCCNCc2cnnn2C)n1 ZINC001168319895 775688954 /nfs/dbraw/zinc/68/89/54/775688954.db2.gz JRNKRZSCHZGMAH-UHFFFAOYSA-N 0 3 278.320 -1.147 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N(CCO)CCNCCF ZINC001272224216 775689981 /nfs/dbraw/zinc/68/99/81/775689981.db2.gz BCEOBCDMRAYEPM-JTQLQIEISA-N 0 3 275.324 -1.013 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ncc[nH]1 ZINC001126801672 775689993 /nfs/dbraw/zinc/68/99/93/775689993.db2.gz ZONCGDXMPIWQST-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN CN(CCO)CCN(C)C(=O)Cn1nccc1N ZINC001168349917 775690715 /nfs/dbraw/zinc/69/07/15/775690715.db2.gz PXYLJKFIRMRWBF-UHFFFAOYSA-N 0 3 255.322 -1.152 20 0 CAADHN COc1ccc(C(=O)N(CCO)CCNCC(N)=O)cn1 ZINC001272208255 775690818 /nfs/dbraw/zinc/69/08/18/775690818.db2.gz REWKSUONMVQHIF-UHFFFAOYSA-N 0 3 296.327 -1.400 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1ncc[nH]1 ZINC001126800657 775691192 /nfs/dbraw/zinc/69/11/92/775691192.db2.gz JSCCQTZNMUVAMS-UHFFFAOYSA-N 0 3 283.332 -1.118 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1CCC(CNC(=O)C(N)=O)CC1 ZINC001224304368 775691995 /nfs/dbraw/zinc/69/19/95/775691995.db2.gz UCCXPNXACHBXTB-VIFPVBQESA-N 0 3 284.360 -1.223 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1ncc[nH]1 ZINC001126806888 775692290 /nfs/dbraw/zinc/69/22/90/775692290.db2.gz PEEBHEGEJXFXPB-UHFFFAOYSA-N 0 3 283.332 -1.118 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2ncc[nH]2)C1=O ZINC001126810415 775692591 /nfs/dbraw/zinc/69/25/91/775692591.db2.gz FBPPGOLTEPJTFA-QMMMGPOBSA-N 0 3 251.290 -1.040 20 0 CAADHN CCCNC(=O)NC(=O)CNCCNC(=O)c1ncc[nH]1 ZINC001126807367 775692664 /nfs/dbraw/zinc/69/26/64/775692664.db2.gz ZBUPFSVGZXSJBY-UHFFFAOYSA-N 0 3 296.331 -1.035 20 0 CAADHN CN1CC[C@@H](N2CCC(CNC(=O)C(N)=O)CC2)C1=O ZINC001224312711 775693500 /nfs/dbraw/zinc/69/35/00/775693500.db2.gz SAUZPBYDSUXXND-SNVBAGLBSA-N 0 3 282.344 -1.469 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ncc[nH]1 ZINC001126823194 775693557 /nfs/dbraw/zinc/69/35/57/775693557.db2.gz RPQHMGUPEAOTFH-SSDOTTSWSA-N 0 3 282.304 -1.427 20 0 CAADHN O=C(CN1CCCNC1=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075985454 775694057 /nfs/dbraw/zinc/69/40/57/775694057.db2.gz HWDNAPYBMOEEKQ-NWDGAFQWSA-N 0 3 296.371 -1.073 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001142590234 775708166 /nfs/dbraw/zinc/70/81/66/775708166.db2.gz NGENEFZJCUXARG-IQIPOGNMSA-N 0 3 260.334 -1.455 20 0 CAADHN C[C@@H](NCCNC(=O)c1ncc[nH]1)C(=O)NC(N)=O ZINC001126828154 775694332 /nfs/dbraw/zinc/69/43/32/775694332.db2.gz LAQXPWOJTAWCGQ-ZCFIWIBFSA-N 0 3 268.277 -1.688 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473613 775696578 /nfs/dbraw/zinc/69/65/78/775696578.db2.gz LHJSNFATKKMEAD-BDAKNGLRSA-N 0 3 296.331 -2.053 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001083492226 775700380 /nfs/dbraw/zinc/70/03/80/775700380.db2.gz QQAYGODTBLMGFQ-TUAOUCFPSA-N 0 3 295.343 -1.524 20 0 CAADHN O=C(CC1(O)CCC1)NCCN[C@H]1CCNC1=O ZINC001126848541 775700776 /nfs/dbraw/zinc/70/07/76/775700776.db2.gz VLPHJMSOSQTTST-VIFPVBQESA-N 0 3 255.318 -1.114 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1n[nH]cc1C ZINC001126851689 775701379 /nfs/dbraw/zinc/70/13/79/775701379.db2.gz DRRJYRGCNOWNGX-UHFFFAOYSA-N 0 3 296.331 -1.117 20 0 CAADHN CCCN1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083491919 775701482 /nfs/dbraw/zinc/70/14/82/775701482.db2.gz CGWRANQYABTICS-ZJUUUORDSA-N 0 3 253.306 -1.151 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CC1(O)CCC1 ZINC001126847782 775701513 /nfs/dbraw/zinc/70/15/13/775701513.db2.gz GHGFCAAUBMYNME-UHFFFAOYSA-N 0 3 286.332 -1.547 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCN1CCO ZINC001088792727 775702561 /nfs/dbraw/zinc/70/25/61/775702561.db2.gz DVVXWTTVNRRJNK-MNOVXSKESA-N 0 3 284.360 -2.011 20 0 CAADHN Cc1c[nH]nc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001126867546 775703711 /nfs/dbraw/zinc/70/37/11/775703711.db2.gz FEIOAXUJRYAPRM-SSDOTTSWSA-N 0 3 282.304 -1.379 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC001088800855 775703736 /nfs/dbraw/zinc/70/37/36/775703736.db2.gz WHABBNYUFWNERD-YIZRAAEISA-N 0 3 268.321 -1.217 20 0 CAADHN C[C@H](NCCNC(=O)CC1(O)CCC1)C(=O)NC(N)=O ZINC001126860462 775703829 /nfs/dbraw/zinc/70/38/29/775703829.db2.gz KADPZWAOSPMTLA-QMMMGPOBSA-N 0 3 286.332 -1.419 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001142586859 775704896 /nfs/dbraw/zinc/70/48/96/775704896.db2.gz PPGJPPIULNQYAM-UHFFFAOYSA-N 0 3 268.361 -1.031 20 0 CAADHN CC[C@@H](F)CNCCN(CCO)C(=O)c1nnn(C)n1 ZINC001272235739 775707469 /nfs/dbraw/zinc/70/74/69/775707469.db2.gz PPXGXGQHMMOYTL-SECBINFHSA-N 0 3 288.327 -1.018 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)cn2)CCN1CCO ZINC001088824094 775709441 /nfs/dbraw/zinc/70/94/41/775709441.db2.gz QAZZNOSDXSKIMV-BDAKNGLRSA-N 0 3 266.301 -1.045 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1nnc(C)[nH]1 ZINC001126907011 775710808 /nfs/dbraw/zinc/71/08/08/775710808.db2.gz BEIBROOHBHLZMD-UHFFFAOYSA-N 0 3 254.294 -1.893 20 0 CAADHN Cc1nnc(CC(=O)NCCNCC(=O)N2CCC2)[nH]1 ZINC001126907801 775711387 /nfs/dbraw/zinc/71/13/87/775711387.db2.gz WASAOLGHRSQLIX-UHFFFAOYSA-N 0 3 280.332 -1.406 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)Cc1ncccc1F ZINC001272243903 775711407 /nfs/dbraw/zinc/71/14/07/775711407.db2.gz XSCXIOSOXJBHSP-UHFFFAOYSA-N 0 3 298.318 -1.341 20 0 CAADHN CCCCN1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083530561 775712948 /nfs/dbraw/zinc/71/29/48/775712948.db2.gz UKJDFRFBVKRONU-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN Cc1nnc(CC(=O)NCCNCC(=O)N(C)C)[nH]1 ZINC001126912412 775713569 /nfs/dbraw/zinc/71/35/69/775713569.db2.gz MTTNQRXWNQSULL-UHFFFAOYSA-N 0 3 268.321 -1.550 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001088828684 775714149 /nfs/dbraw/zinc/71/41/49/775714149.db2.gz QVIBISKYCXLAOK-UTLUCORTSA-N 0 3 270.333 -1.107 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cc1nnc(C)[nH]1 ZINC001126912094 775714174 /nfs/dbraw/zinc/71/41/74/775714174.db2.gz CMVGBJMULKUJAC-UHFFFAOYSA-N 0 3 268.321 -1.502 20 0 CAADHN Cc1nnc(CC(=O)NCCNCC(=O)NC(C)C)[nH]1 ZINC001126912580 775714356 /nfs/dbraw/zinc/71/43/56/775714356.db2.gz QJYQEHXMJLBGDK-UHFFFAOYSA-N 0 3 282.348 -1.114 20 0 CAADHN Cc1nnc(CC(=O)NCCNCC(=O)N2CCCC2)[nH]1 ZINC001126912752 775714387 /nfs/dbraw/zinc/71/43/87/775714387.db2.gz UCMDYRWZPCXUIY-UHFFFAOYSA-N 0 3 294.359 -1.016 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1CCCO ZINC001088829331 775714517 /nfs/dbraw/zinc/71/45/17/775714517.db2.gz NSCRVATVYNNBRJ-UTLUCORTSA-N 0 3 270.333 -1.371 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1nnc(C)[nH]1 ZINC001126912328 775715160 /nfs/dbraw/zinc/71/51/60/775715160.db2.gz JTIRPHUEBGTADI-UHFFFAOYSA-N 0 3 297.319 -2.183 20 0 CAADHN C[C@H](O)CN1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076142378 775718415 /nfs/dbraw/zinc/71/84/15/775718415.db2.gz YLOWWPIRWHJMIH-LPEHRKFASA-N 0 3 280.332 -1.263 20 0 CAADHN O=C([C@H]1CCNC1=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076132081 775719150 /nfs/dbraw/zinc/71/91/50/775719150.db2.gz SVUIPVPTGPTSBA-GARJFASQSA-N 0 3 267.329 -1.353 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H]3CN(CCCO)C[C@H]32)n1 ZINC001076142041 775719409 /nfs/dbraw/zinc/71/94/09/775719409.db2.gz POVBLAIIXXEZHX-VHSXEESVSA-N 0 3 280.332 -1.261 20 0 CAADHN CN1CC(C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]32)=NC1=O ZINC001076207696 775721483 /nfs/dbraw/zinc/72/14/83/775721483.db2.gz LMSUAXKZQMIQRW-WCBMZHEXSA-N 0 3 293.327 -1.243 20 0 CAADHN Cn1nccc1CCN1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001076198534 775722865 /nfs/dbraw/zinc/72/28/65/775722865.db2.gz BCBZPGDOXWFUHE-CMPLNLGQSA-N 0 3 291.355 -1.019 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)O1 ZINC001076237256 775724545 /nfs/dbraw/zinc/72/45/45/775724545.db2.gz XFCWAPKYPYEWTK-WHOHXGKFSA-N 0 3 297.355 -1.456 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(C)nn1 ZINC001126926492 775727116 /nfs/dbraw/zinc/72/71/16/775727116.db2.gz NJZDTGBAUDSJAX-UHFFFAOYSA-N 0 3 251.290 -1.150 20 0 CAADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076299959 775727151 /nfs/dbraw/zinc/72/71/51/775727151.db2.gz RLYXHORDNXVWPV-LPEHRKFASA-N 0 3 296.327 -1.891 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076369320 775727533 /nfs/dbraw/zinc/72/75/33/775727533.db2.gz RCVNKQMNUWDPKD-VHSXEESVSA-N 0 3 296.327 -1.937 20 0 CAADHN Cc1ccc(C(=O)NCCNCC(=O)NC(N)=O)nn1 ZINC001126932197 775731656 /nfs/dbraw/zinc/73/16/56/775731656.db2.gz LQNMTTOIHQSNSW-UHFFFAOYSA-N 0 3 280.288 -1.701 20 0 CAADHN Cc1ccc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)nn1 ZINC001126932485 775731818 /nfs/dbraw/zinc/73/18/18/775731818.db2.gz ZIKMIDLWJQZISN-VIFPVBQESA-N 0 3 291.311 -1.090 20 0 CAADHN Cc1ccc(C(=O)NCCN[C@H]2CCNC2=O)nn1 ZINC001126932061 775731932 /nfs/dbraw/zinc/73/19/32/775731932.db2.gz GVMKPHFVLXSWQN-VIFPVBQESA-N 0 3 263.301 -1.007 20 0 CAADHN Cc1ccc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)nn1 ZINC001126932484 775732541 /nfs/dbraw/zinc/73/25/41/775732541.db2.gz ZIKMIDLWJQZISN-SECBINFHSA-N 0 3 291.311 -1.090 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076648787 775734292 /nfs/dbraw/zinc/73/42/92/775734292.db2.gz HVOBUUMZYVGWAL-HBNTYKKESA-N 0 3 295.339 -1.436 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723308 775745447 /nfs/dbraw/zinc/74/54/47/775745447.db2.gz VJFSAPXGBDZZQX-RKDXNWHRSA-N 0 3 254.294 -1.757 20 0 CAADHN Cc1cn(C)nc1C(=O)NCCN[C@@H](C)C(N)=O ZINC001126948778 775754273 /nfs/dbraw/zinc/75/42/73/775754273.db2.gz HYMASFFSFWOKDR-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN Cc1cn(C)nc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126948522 775754784 /nfs/dbraw/zinc/75/47/84/775754784.db2.gz BNWIXRBUWAGVFG-SECBINFHSA-N 0 3 293.327 -1.147 20 0 CAADHN COCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCN2C)C1 ZINC001076805632 775758363 /nfs/dbraw/zinc/75/83/63/775758363.db2.gz ONFAPMSIOGQQLK-IJLUTSLNSA-N 0 3 271.361 -1.112 20 0 CAADHN CNC(=O)CNCCNC(=O)c1nn(C)cc1C ZINC001126949682 775758962 /nfs/dbraw/zinc/75/89/62/775758962.db2.gz VVIOMTXQLIIGSQ-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001076835549 775765438 /nfs/dbraw/zinc/76/54/38/775765438.db2.gz BKHKITKYMWUFCC-JHJVBQTASA-N 0 3 283.372 -1.112 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076910414 775770658 /nfs/dbraw/zinc/77/06/58/775770658.db2.gz OCDJLDXUGNJZQR-RKDXNWHRSA-N 0 3 269.305 -1.445 20 0 CAADHN O=C(CN1CCOCC1)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001076902178 775772053 /nfs/dbraw/zinc/77/20/53/775772053.db2.gz LCZHPNGESCKMQT-CHWSQXEVSA-N 0 3 283.372 -1.110 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001076908717 775773851 /nfs/dbraw/zinc/77/38/51/775773851.db2.gz PCOSUFLCMRGWOD-GRYCIOLGSA-N 0 3 271.361 -1.113 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001076942065 775778604 /nfs/dbraw/zinc/77/86/04/775778604.db2.gz BGEQZDIDSWFZNA-HRDYMLBCSA-N 0 3 257.290 -1.334 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001076942663 775778628 /nfs/dbraw/zinc/77/86/28/775778628.db2.gz WEVKPSYAUIWXDL-KXUCPTDWSA-N 0 3 271.317 -1.088 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001076942066 775778981 /nfs/dbraw/zinc/77/89/81/775778981.db2.gz BGEQZDIDSWFZNA-IWSPIJDZSA-N 0 3 257.290 -1.334 20 0 CAADHN Cn1nncc1C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001076950075 775780383 /nfs/dbraw/zinc/78/03/83/775780383.db2.gz IVUSXVCQUMEOHH-CKYFFXLPSA-N 0 3 295.343 -1.374 20 0 CAADHN C[C@@H](CCNC(=O)[C@@H](C1CC1)N(C)C)NC(=O)C(N)=O ZINC001076956239 775780598 /nfs/dbraw/zinc/78/05/98/775780598.db2.gz JAMUWFFAGCGUOA-WCBMZHEXSA-N 0 3 284.360 -1.177 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@H]1COC(=O)N1 ZINC001076946626 775781649 /nfs/dbraw/zinc/78/16/49/775781649.db2.gz BPQCJSIYQDOCDR-OPRDCNLKSA-N 0 3 269.301 -1.334 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)n1 ZINC001076965620 775783496 /nfs/dbraw/zinc/78/34/96/775783496.db2.gz MYFHNNFROVCTFX-GMTAPVOTSA-N 0 3 295.343 -1.374 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001077003878 775788035 /nfs/dbraw/zinc/78/80/35/775788035.db2.gz CVPIKJPTQXAIMM-HBNTYKKESA-N 0 3 296.331 -2.129 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077026805 775789589 /nfs/dbraw/zinc/78/95/89/775789589.db2.gz LHJSNFATKKMEAD-RKDXNWHRSA-N 0 3 296.331 -2.053 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001077063517 775792309 /nfs/dbraw/zinc/79/23/09/775792309.db2.gz QQAYGODTBLMGFQ-IJLUTSLNSA-N 0 3 295.343 -1.524 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077065426 775792527 /nfs/dbraw/zinc/79/25/27/775792527.db2.gz CGWRANQYABTICS-NXEZZACHSA-N 0 3 253.306 -1.151 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077065861 775792628 /nfs/dbraw/zinc/79/26/28/775792628.db2.gz ZSPMGRQLZHMVGA-GHMZBOCLSA-N 0 3 265.317 -1.151 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077140915 775795843 /nfs/dbraw/zinc/79/58/43/775795843.db2.gz LNCIDEAZJHEPSS-VXGBXAGGSA-N 0 3 297.355 -1.584 20 0 CAADHN C[C@H](CS(C)(=O)=O)NC[C@]1(CO)COCCN1C ZINC000903279044 775796137 /nfs/dbraw/zinc/79/61/37/775796137.db2.gz ICINJYHOMKFCQX-MNOVXSKESA-N 0 3 280.390 -1.298 20 0 CAADHN CC[C@H](C(=O)NCC[C@H](C)NC(=O)C(N)=O)N(C)C ZINC001077151440 775796420 /nfs/dbraw/zinc/79/64/20/775796420.db2.gz RWGMRHJTYWUQDK-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077157125 775798170 /nfs/dbraw/zinc/79/81/70/775798170.db2.gz UHORHLHSYAMEMX-IVZWLZJFSA-N 0 3 296.327 -1.844 20 0 CAADHN O=C(N[C@@H]1CN(CCO)C[C@H]1O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001077169931 775798788 /nfs/dbraw/zinc/79/87/88/775798788.db2.gz MIVGDBRSEWBRMR-CNVPUSNMSA-N 0 3 280.328 -1.333 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1ccn(C)n1 ZINC001126964937 775804395 /nfs/dbraw/zinc/80/43/95/775804395.db2.gz DDVDBRXDNISIDM-UHFFFAOYSA-N 0 3 253.306 -1.586 20 0 CAADHN CN1CCCC[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001077236244 775806120 /nfs/dbraw/zinc/80/61/20/775806120.db2.gz HJJZXDICGIOPFC-GRYCIOLGSA-N 0 3 271.361 -1.376 20 0 CAADHN CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001077221126 775806989 /nfs/dbraw/zinc/80/69/89/775806989.db2.gz BWWKUCHJMVUPBZ-DDHJBXDOSA-N 0 3 271.361 -1.113 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264539 775810035 /nfs/dbraw/zinc/81/00/35/775810035.db2.gz ZVJBJLSTVXTJCH-NXEZZACHSA-N 0 3 283.332 -1.849 20 0 CAADHN O=C(N[C@@H]1CN(CCCO)C[C@H]1O)c1cn[nH]n1 ZINC001077289607 775811016 /nfs/dbraw/zinc/81/10/16/775811016.db2.gz XSLVDJFFNCRMHW-RKDXNWHRSA-N 0 3 255.278 -2.038 20 0 CAADHN C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077288109 775813148 /nfs/dbraw/zinc/81/31/48/775813148.db2.gz FILIQPHZPVBTEQ-NBEYISGCSA-N 0 3 255.278 -2.040 20 0 CAADHN O=C(CN1CCCNC1=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077296974 775813416 /nfs/dbraw/zinc/81/34/16/775813416.db2.gz NBUQTSUHPANDNN-VXGBXAGGSA-N 0 3 296.371 -1.027 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001077297215 775815305 /nfs/dbraw/zinc/81/53/05/775815305.db2.gz YRJHRXPGFAYYIT-GHMZBOCLSA-N 0 3 284.360 -1.029 20 0 CAADHN Cn1ccc(CC(=O)NCCN[C@@H]2CCC(=O)NC2=O)n1 ZINC001126971383 775817862 /nfs/dbraw/zinc/81/78/62/775817862.db2.gz AGNLLOWPHHJONS-SNVBAGLBSA-N 0 3 293.327 -1.526 20 0 CAADHN CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083571678 775817993 /nfs/dbraw/zinc/81/79/93/775817993.db2.gz HJJZXDICGIOPFC-UTUOFQBUSA-N 0 3 271.361 -1.376 20 0 CAADHN Cn1ccc(CC(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001126972002 775818022 /nfs/dbraw/zinc/81/80/22/775818022.db2.gz YSYIEALEEVMFMC-UHFFFAOYSA-N 0 3 282.304 -2.137 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1ccn(C)n1)C(=O)NC(N)=O ZINC001126975255 775820024 /nfs/dbraw/zinc/82/00/24/775820024.db2.gz CNMAVHDAGDWSNF-MRVPVSSYSA-N 0 3 296.331 -1.748 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cc1ccn(C)n1 ZINC001126975540 775821418 /nfs/dbraw/zinc/82/14/18/775821418.db2.gz GPBNMPIGGXLMMC-VIFPVBQESA-N 0 3 267.333 -1.197 20 0 CAADHN Cc1cncn1CC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@H]1O ZINC001077395204 775821987 /nfs/dbraw/zinc/82/19/87/775821987.db2.gz ZBYDLNJEUWQYQJ-IJLUTSLNSA-N 0 3 282.344 -1.266 20 0 CAADHN Cc1cncn1CC(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001077392787 775823705 /nfs/dbraw/zinc/82/37/05/775823705.db2.gz QLKUOAXUAYJZAQ-GHMZBOCLSA-N 0 3 268.317 -1.655 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001077415763 775823772 /nfs/dbraw/zinc/82/37/72/775823772.db2.gz DYLPGPKKBVYRRP-MWLCHTKSSA-N 0 3 280.328 -1.035 20 0 CAADHN Cc1cncn1CC(=O)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001077392471 775824014 /nfs/dbraw/zinc/82/40/14/775824014.db2.gz CQKCWQZGMZUYFN-VXGBXAGGSA-N 0 3 282.344 -1.265 20 0 CAADHN COCCN1C[C@@H](O)[C@H](NC(=O)Cn2cncc2C)C1 ZINC001077392620 775824304 /nfs/dbraw/zinc/82/43/04/775824304.db2.gz JSRCFXCVDYRUQB-VXGBXAGGSA-N 0 3 282.344 -1.001 20 0 CAADHN Cc1cncn1CC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@H]1O ZINC001077395205 775824394 /nfs/dbraw/zinc/82/43/94/775824394.db2.gz ZBYDLNJEUWQYQJ-QJPTWQEYSA-N 0 3 282.344 -1.266 20 0 CAADHN CCCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083586096 775825352 /nfs/dbraw/zinc/82/53/52/775825352.db2.gz CEASAPPKLQRRFD-ZJUUUORDSA-N 0 3 283.332 -1.847 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)c1=O ZINC001083585578 775825992 /nfs/dbraw/zinc/82/59/92/775825992.db2.gz DLSPDRDXVSSPQO-MNOVXSKESA-N 0 3 295.343 -1.847 20 0 CAADHN COC[C@@H](C)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083596667 775830343 /nfs/dbraw/zinc/83/03/43/775830343.db2.gz JZXACFUTPKRLGM-QNSHHTMESA-N 0 3 269.305 -1.386 20 0 CAADHN CO[C@@H](C)CN1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083598351 775830815 /nfs/dbraw/zinc/83/08/15/775830815.db2.gz QQWFFUYMWNGTLL-SFGNSQDASA-N 0 3 269.305 -1.386 20 0 CAADHN O=C(CN1CCCNC1=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083601276 775831523 /nfs/dbraw/zinc/83/15/23/775831523.db2.gz NBUQTSUHPANDNN-NEPJUHHUSA-N 0 3 296.371 -1.027 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNC(=O)N1CCCC1 ZINC001127035220 775840394 /nfs/dbraw/zinc/84/03/94/775840394.db2.gz DUCOZGNKTGGVDY-UHFFFAOYSA-N 0 3 299.375 -1.366 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)N1CCCC1 ZINC001127035795 775840914 /nfs/dbraw/zinc/84/09/14/775840914.db2.gz RFQGTGQWRLWUQR-UHFFFAOYSA-N 0 3 271.321 -2.017 20 0 CAADHN O=C(CNC(=O)N1CCCC1)NCCN[C@H]1CCNC1=O ZINC001127035589 775841322 /nfs/dbraw/zinc/84/13/22/775841322.db2.gz MESCHYZYIZAQBF-JTQLQIEISA-N 0 3 297.359 -1.614 20 0 CAADHN Cc1cncn1CC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@@H]1O ZINC001083645401 775842193 /nfs/dbraw/zinc/84/21/93/775842193.db2.gz ZBYDLNJEUWQYQJ-TUAOUCFPSA-N 0 3 282.344 -1.266 20 0 CAADHN COCCn1cc(C(=O)NCCN[C@H]2CCNC2=O)nn1 ZINC001127056821 775845416 /nfs/dbraw/zinc/84/54/16/775845416.db2.gz KLHSGPRGDJOTOW-VIFPVBQESA-N 0 3 296.331 -1.868 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCOCC1CC1 ZINC001127072464 775847709 /nfs/dbraw/zinc/84/77/09/775847709.db2.gz IRAOUZRUXGCZQZ-UHFFFAOYSA-N 0 3 286.332 -1.296 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CCN1 ZINC000912768437 775848151 /nfs/dbraw/zinc/84/81/51/775848151.db2.gz XMHPFCYMAKSPIL-NSHDSACASA-N 0 3 268.361 -1.125 20 0 CAADHN CC(C)[C@H]1CN(C(=O)CN2CCNC(=O)C2)CCN1 ZINC000912768435 775848278 /nfs/dbraw/zinc/84/82/78/775848278.db2.gz XMHPFCYMAKSPIL-LLVKDONJSA-N 0 3 268.361 -1.125 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)CCNC(=O)CO)CCN1 ZINC000912767423 775849175 /nfs/dbraw/zinc/84/91/75/775849175.db2.gz LOGIATFMNMCYEW-JTQLQIEISA-N 0 3 257.334 -1.059 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCS(=O)(=O)NC ZINC001127082089 775850453 /nfs/dbraw/zinc/85/04/53/775850453.db2.gz KTDHVHFXDBHNQM-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN CNS(=O)(=O)CCC(=O)NCCNCC(=O)N(C)C ZINC001127082234 775850473 /nfs/dbraw/zinc/85/04/73/775850473.db2.gz MYAUPZXELSOUGS-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN CNS(=O)(=O)CCC(=O)NCCNCC(N)=O ZINC001127082001 775851141 /nfs/dbraw/zinc/85/11/41/775851141.db2.gz IRUDSSIRYAVZRT-UHFFFAOYSA-N 0 3 266.323 -2.883 20 0 CAADHN CNS(=O)(=O)CCC(=O)NCCN[C@H]1CCNC1=O ZINC001127081809 775851264 /nfs/dbraw/zinc/85/12/64/775851264.db2.gz CAEBBHJSFYSWNX-QMMMGPOBSA-N 0 3 292.361 -2.480 20 0 CAADHN CNC(=O)CNCCNC(=O)CCS(=O)(=O)NC ZINC001127081958 775851700 /nfs/dbraw/zinc/85/17/00/775851700.db2.gz HPBAVWLAJHPOEJ-UHFFFAOYSA-N 0 3 280.350 -2.623 20 0 CAADHN CNS(=O)(=O)CCC(=O)NCCNCCF ZINC001127082065 775851741 /nfs/dbraw/zinc/85/17/41/775851741.db2.gz KEELDIAYKNWXDD-UHFFFAOYSA-N 0 3 255.315 -1.399 20 0 CAADHN CC[C@H](NCCNC(=O)CCS(=O)(=O)NC)C(N)=O ZINC001127088002 775853674 /nfs/dbraw/zinc/85/36/74/775853674.db2.gz JAIVTMBHHKLLMW-QMMMGPOBSA-N 0 3 294.377 -2.105 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CO[C@H]1CCOC1 ZINC001127134956 775863405 /nfs/dbraw/zinc/86/34/05/775863405.db2.gz RTDMXEOWLKKNPS-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN CCNC(=O)CNCCNC(=O)CO[C@@H]1CCOC1 ZINC001127134961 775863516 /nfs/dbraw/zinc/86/35/16/775863516.db2.gz RWCTWEYIHFRCFW-SNVBAGLBSA-N 0 3 273.333 -1.366 20 0 CAADHN CNC(=O)CNCCNC(=O)CO[C@@H]1CCOC1 ZINC001127134725 775863753 /nfs/dbraw/zinc/86/37/53/775863753.db2.gz OOJKZKMLQPFVPI-SECBINFHSA-N 0 3 259.306 -1.756 20 0 CAADHN O=C(CO[C@@H]1CCOC1)NCCNCC(=O)N1CCC1 ZINC001127135263 775864326 /nfs/dbraw/zinc/86/43/26/775864326.db2.gz VRFLSMJOJJHUPN-LLVKDONJSA-N 0 3 285.344 -1.270 20 0 CAADHN O=C(CO[C@@H]1CCOC1)NCCN[C@H]1CCCNC1=O ZINC001127134786 775864478 /nfs/dbraw/zinc/86/44/78/775864478.db2.gz PQBTWYAGMWGLRX-MNOVXSKESA-N 0 3 285.344 -1.224 20 0 CAADHN O=C(CO[C@@H]1CCOC1)NCCN[C@H]1CCNC1=O ZINC001127135041 775865059 /nfs/dbraw/zinc/86/50/59/775865059.db2.gz UTSBFHKIBWKLLA-ZJUUUORDSA-N 0 3 271.317 -1.614 20 0 CAADHN O=C(CO[C@H]1CCOC1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001127140656 775865564 /nfs/dbraw/zinc/86/55/64/775865564.db2.gz FTRPPJVPTNQHFT-VHSXEESVSA-N 0 3 299.327 -1.697 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CO[C@@H]1CCOC1 ZINC001127142453 775867444 /nfs/dbraw/zinc/86/74/44/775867444.db2.gz NKIGLKXQXUJBLK-VHSXEESVSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@@H]1CCN(C)C1=O)NC(N)=O ZINC001127153840 775867900 /nfs/dbraw/zinc/86/79/00/775867900.db2.gz DUEGWYIGNZBCHP-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CC[C@H](NCCNC(=O)CO[C@@H]1CCOC1)C(N)=O ZINC001127143006 775867967 /nfs/dbraw/zinc/86/79/67/775867967.db2.gz VSKFODIFNWBFJT-ZJUUUORDSA-N 0 3 273.333 -1.238 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H](C)NC(N)=O ZINC001127148592 775868041 /nfs/dbraw/zinc/86/80/41/775868041.db2.gz YSFBJVHICNXZFH-SSDOTTSWSA-N 0 3 259.310 -2.115 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H](C)NC(N)=O ZINC001127148593 775868099 /nfs/dbraw/zinc/86/80/99/775868099.db2.gz YSFBJVHICNXZFH-ZETCQYMHSA-N 0 3 259.310 -2.115 20 0 CAADHN C[C@H](CC(=O)NCCN[C@@H](C)C(=O)NC1CC1)NC(N)=O ZINC001127153751 775868260 /nfs/dbraw/zinc/86/82/60/775868260.db2.gz BJPTXJMSJHSCKN-BDAKNGLRSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@H]1CCN(C)C1=O)NC(N)=O ZINC001127153841 775868392 /nfs/dbraw/zinc/86/83/92/775868392.db2.gz DUEGWYIGNZBCHP-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CC(=O)NCCN[C@@H]1CCCN(C)C1=O)NC(N)=O ZINC001127148463 775868450 /nfs/dbraw/zinc/86/84/50/775868450.db2.gz VKAWASRVGZQARH-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@H](C)NC(N)=O ZINC001127154400 775868531 /nfs/dbraw/zinc/86/85/31/775868531.db2.gz JKRVSPHBQJAIGH-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H](C)NC(N)=O)C(=O)NC1CC1 ZINC001127153752 775868627 /nfs/dbraw/zinc/86/86/27/775868627.db2.gz BJPTXJMSJHSCKN-DTWKUNHWSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@H](CC(=O)NCCN[C@H](C)C(=O)NC1CC1)NC(N)=O ZINC001127153754 775868653 /nfs/dbraw/zinc/86/86/53/775868653.db2.gz BJPTXJMSJHSCKN-RKDXNWHRSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@@H](CC(=O)NCCNCC(=O)N(C)C)NC(N)=O ZINC001127148196 775868715 /nfs/dbraw/zinc/86/87/15/775868715.db2.gz OENHLWOANOQGAZ-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@@H](C)C(N)=O)NC(N)=O ZINC001127147178 775868842 /nfs/dbraw/zinc/86/88/42/775868842.db2.gz GTPMMVFVQOOWIB-BQBZGAKWSA-N 0 3 259.310 -1.987 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@@H](C)C(=O)NC1CC1)NC(N)=O ZINC001127153753 775868932 /nfs/dbraw/zinc/86/89/32/775868932.db2.gz BJPTXJMSJHSCKN-IUCAKERBSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@H](CC(=O)NCCN[C@H](C)C(N)=O)NC(N)=O ZINC001127147181 775869084 /nfs/dbraw/zinc/86/90/84/775869084.db2.gz GTPMMVFVQOOWIB-RNFRBKRXSA-N 0 3 259.310 -1.987 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@@H]1CCC(=O)NC1=O)NC(N)=O ZINC001127148086 775869161 /nfs/dbraw/zinc/86/91/61/775869161.db2.gz NLMZGHCHLBPCSN-JGVFFNPUSA-N 0 3 299.331 -2.056 20 0 CAADHN C[C@@H](CC(=O)NCCNCC(=O)N1CCCC1)NC(N)=O ZINC001127162088 775870134 /nfs/dbraw/zinc/87/01/34/775870134.db2.gz JHNABYZSVQSPDI-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C[C@@H](C)NC(N)=O ZINC001127161172 775870296 /nfs/dbraw/zinc/87/02/96/775870296.db2.gz DDORPWREXWLPHC-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@@H](C)C(=O)N(C)C)NC(N)=O ZINC001127157361 775870467 /nfs/dbraw/zinc/87/04/67/775870467.db2.gz ZPDZEVFBQHNLHB-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)C[C@H](C)NC(N)=O ZINC001127161152 775870529 /nfs/dbraw/zinc/87/05/29/775870529.db2.gz CYDCPWGLECVPPZ-VIFPVBQESA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@H](CC(=O)NCCN[C@@H]1CCNC1=O)NC(N)=O ZINC001127163595 775870647 /nfs/dbraw/zinc/87/06/47/775870647.db2.gz YFYLUJKGJOXAND-HTQZYQBOSA-N 0 3 271.321 -1.972 20 0 CAADHN C[C@H](CC(=O)NCCNCC(=O)NC1CC1)NC(N)=O ZINC001127161672 775870678 /nfs/dbraw/zinc/87/06/78/775870678.db2.gz GZNOEVSUGQGETO-MRVPVSSYSA-N 0 3 285.348 -1.582 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)C[C@@H](C)NC(N)=O ZINC001127161150 775870812 /nfs/dbraw/zinc/87/08/12/775870812.db2.gz CYDCPWGLECVPPZ-SECBINFHSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@H](CC(=O)NCCNCC(N)=O)N1CCCCC1=O ZINC001127168084 775872691 /nfs/dbraw/zinc/87/26/91/775872691.db2.gz AVJHZSAZYUITMN-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN Cc1cccn(CC(=O)NCCNCC(=O)N(C)C)c1=O ZINC001127180825 775874930 /nfs/dbraw/zinc/87/49/30/775874930.db2.gz CJYDYEWVEBNAHV-UHFFFAOYSA-N 0 3 294.355 -1.049 20 0 CAADHN Cn1cc(CN2CC[C@@H](F)[C@@H](O)C2)c(=O)n(C)c1=O ZINC001231766754 775875387 /nfs/dbraw/zinc/87/53/87/775875387.db2.gz FWKSVUNIKRFSPG-ZJUUUORDSA-N 0 3 271.292 -1.011 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1cccc(C)c1=O ZINC001127182004 775875432 /nfs/dbraw/zinc/87/54/32/775875432.db2.gz SZYAJFZSUXHKGV-NSHDSACASA-N 0 3 294.355 -1.003 20 0 CAADHN C[C@@H]1CN(C(=O)CCc2nnc[n-]2)C[C@H]1C[NH2+]CC(N)=O ZINC001105990429 775875471 /nfs/dbraw/zinc/87/54/71/775875471.db2.gz LKJYUEFUMJKSQE-NXEZZACHSA-N 0 3 294.359 -1.093 20 0 CAADHN Cc1cccn(CC(=O)NCCN[C@H]2CCNC2=O)c1=O ZINC001127180847 775875509 /nfs/dbraw/zinc/87/55/09/775875509.db2.gz DLIFJINDKNJYOY-NSHDSACASA-N 0 3 292.339 -1.249 20 0 CAADHN O=C1NCCC[C@@H]1NC[C@H](O)C[C@@]1(O)CCOC1 ZINC001120491968 775876942 /nfs/dbraw/zinc/87/69/42/775876942.db2.gz GPKIKSBBTISJCA-SCVCMEIPSA-N 0 3 258.318 -1.243 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N1C2CCC1(CO)CC2 ZINC001120528303 775878222 /nfs/dbraw/zinc/87/82/22/775878222.db2.gz PRDAIRPBAIOSAG-IQLKVPPVSA-N 0 3 297.355 -1.393 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1CCO ZINC001088864100 775878806 /nfs/dbraw/zinc/87/88/06/775878806.db2.gz QJAXAENMKPIHES-IMSYWVGJSA-N 0 3 255.318 -1.321 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C2CCC1(CO)CC2 ZINC001120528301 775878847 /nfs/dbraw/zinc/87/88/47/775878847.db2.gz PRDAIRPBAIOSAG-CVZZAPKMSA-N 0 3 297.355 -1.393 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H]1C ZINC001088888460 775880980 /nfs/dbraw/zinc/88/09/80/775880980.db2.gz QKXWRUVXDYMOPW-UTLUCORTSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN1CCCO ZINC001088888426 775881205 /nfs/dbraw/zinc/88/12/05/775881205.db2.gz OHTXTAQLYBVSDX-UTLUCORTSA-N 0 3 298.343 -1.454 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(CCOC)nc1C ZINC001127206873 775881247 /nfs/dbraw/zinc/88/12/47/775881247.db2.gz VVJMJXPAVQDHPX-UHFFFAOYSA-N 0 3 297.359 -1.097 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H]1C ZINC001088926180 775883221 /nfs/dbraw/zinc/88/32/21/775883221.db2.gz LXVBDOYLWZMCGO-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN Cc1nn(CC(=O)N[C@H]2CCN(CCO)[C@@H]2C)c(=O)n1C ZINC001089015259 775885418 /nfs/dbraw/zinc/88/54/18/775885418.db2.gz MRBKDIXEADZSSB-KOLCDFICSA-N 0 3 297.359 -1.538 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)CCN1CCO ZINC001089036120 775886044 /nfs/dbraw/zinc/88/60/44/775886044.db2.gz PHECUGXNWPUMOT-SCZZXKLOSA-N 0 3 296.327 -1.329 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CCN1CCO ZINC001089089527 775887902 /nfs/dbraw/zinc/88/79/02/775887902.db2.gz YAIAXXRHAQEETJ-BBBLOLIVSA-N 0 3 283.328 -1.390 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn(CCOC)c1C ZINC001127217031 775888687 /nfs/dbraw/zinc/88/86/87/775888687.db2.gz NKWVNOARVPZUMP-UHFFFAOYSA-N 0 3 297.359 -1.097 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1CCC(=O)N1 ZINC001272295579 775890441 /nfs/dbraw/zinc/89/04/41/775890441.db2.gz VVZNJENBQARZDM-QMMMGPOBSA-N 0 3 272.305 -2.839 20 0 CAADHN Cc1nccc(C(=O)N(CCO)CCNCC(N)=O)n1 ZINC001272315675 775890942 /nfs/dbraw/zinc/89/09/42/775890942.db2.gz SXJUXZWEHFYZKB-UHFFFAOYSA-N 0 3 281.316 -1.706 20 0 CAADHN CC(=O)NC[C@H](O)CNCCN1CCCS1(=O)=O ZINC001272342610 775894872 /nfs/dbraw/zinc/89/48/72/775894872.db2.gz ILBSXFBCRVSJJT-SNVBAGLBSA-N 0 3 279.362 -1.892 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508330 775895671 /nfs/dbraw/zinc/89/56/71/775895671.db2.gz WAAIBMUITUOEPN-VXGBXAGGSA-N 0 3 298.387 -1.620 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@H]1CCNC1=O ZINC001077506836 775895710 /nfs/dbraw/zinc/89/57/10/775895710.db2.gz LZCMJPLWJPNKPN-HBNTYKKESA-N 0 3 267.329 -1.306 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O)C(F)F ZINC001272351409 775897184 /nfs/dbraw/zinc/89/71/84/775897184.db2.gz JYAUZESPRZQCDN-PHDIDXHHSA-N 0 3 279.243 -1.877 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001077510051 775897335 /nfs/dbraw/zinc/89/73/35/775897335.db2.gz FNCSSJBVKLNVCW-OPRDCNLKSA-N 0 3 270.333 -1.420 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)NCc1ccco1 ZINC001272344121 775897655 /nfs/dbraw/zinc/89/76/55/775897655.db2.gz QOIOPLODRXGTHA-SNVBAGLBSA-N 0 3 269.301 -1.018 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C=C(C)C ZINC001272351658 775897770 /nfs/dbraw/zinc/89/77/70/775897770.db2.gz NQOVAQIVHWGOTL-SECBINFHSA-N 0 3 286.332 -1.525 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CN(CC3CCC3)C[C@H]2O)NC1=O ZINC001077509945 775898245 /nfs/dbraw/zinc/89/82/45/775898245.db2.gz AXQVFASNPOHTPX-IJLUTSLNSA-N 0 3 296.371 -1.029 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnns1 ZINC001272370556 775899553 /nfs/dbraw/zinc/89/95/53/775899553.db2.gz DOEAPOLFBFUQRD-RXMQYKEDSA-N 0 3 259.291 -2.296 20 0 CAADHN CC(C)C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001272363523 775899796 /nfs/dbraw/zinc/89/97/96/775899796.db2.gz XZPJHAYXCLJHDL-JTQLQIEISA-N 0 3 257.334 -1.012 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001272362447 775900059 /nfs/dbraw/zinc/90/00/59/775900059.db2.gz OAZPXMLOYNBTKC-XPUUQOCRSA-N 0 3 260.294 -2.937 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001077510446 775900248 /nfs/dbraw/zinc/90/02/48/775900248.db2.gz VMBHTZUWUNBCJU-KXUCPTDWSA-N 0 3 270.333 -1.419 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001077510356 775900325 /nfs/dbraw/zinc/90/03/25/775900325.db2.gz QSGMRHUVCYKKIW-GMTAPVOTSA-N 0 3 284.360 -1.029 20 0 CAADHN CC(C)C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001272370807 775900343 /nfs/dbraw/zinc/90/03/43/775900343.db2.gz GOZHUFMYQUTJNB-SNVBAGLBSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CC(N)=O)C(=O)N(C)C ZINC001272378707 775900695 /nfs/dbraw/zinc/90/06/95/775900695.db2.gz GNBSEURGVITCFZ-HTQZYQBOSA-N 0 3 274.321 -2.595 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccon1 ZINC001272373243 775900753 /nfs/dbraw/zinc/90/07/53/775900753.db2.gz VUGQRMKXWGONPC-SFYZADRCSA-N 0 3 268.273 -1.757 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)C(=O)C(C)(C)C)C(N)=O ZINC001272380120 775900837 /nfs/dbraw/zinc/90/08/37/775900837.db2.gz LZTVIRCAWWKTLB-BDAKNGLRSA-N 0 3 287.360 -1.068 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CNC(=O)CC(N)=O)C1=O ZINC001272378990 775900876 /nfs/dbraw/zinc/90/08/76/775900876.db2.gz HXVWJCRBVCLVAR-IUCAKERBSA-N 0 3 286.332 -2.451 20 0 CAADHN CSC[C@H](C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001272378944 775901153 /nfs/dbraw/zinc/90/11/53/775901153.db2.gz HDABERZJELMOJX-YUMQZZPRSA-N 0 3 263.363 -1.463 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cscn1 ZINC001272381521 775901180 /nfs/dbraw/zinc/90/11/80/775901180.db2.gz SQPFLQCMUCDTNE-ZCFIWIBFSA-N 0 3 258.303 -1.691 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CC(N)=O)C(=O)N(C)C ZINC001272378708 775901299 /nfs/dbraw/zinc/90/12/99/775901299.db2.gz GNBSEURGVITCFZ-JGVFFNPUSA-N 0 3 274.321 -2.595 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cscn1 ZINC001272381520 775901881 /nfs/dbraw/zinc/90/18/81/775901881.db2.gz SQPFLQCMUCDTNE-LURJTMIESA-N 0 3 258.303 -1.691 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001272381371 775902535 /nfs/dbraw/zinc/90/25/35/775902535.db2.gz RLFAFFDOICXBPA-ZETCQYMHSA-N 0 3 260.294 -2.935 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1CC=CC1)C(=O)NC(N)=O ZINC001272389134 775902858 /nfs/dbraw/zinc/90/28/58/775902858.db2.gz KMRCHPFNKSJQHD-SCZZXKLOSA-N 0 3 298.343 -1.397 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)[nH]1 ZINC001272381563 775902885 /nfs/dbraw/zinc/90/28/85/775902885.db2.gz UFALIROIZUYDPI-XPUUQOCRSA-N 0 3 269.305 -1.728 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001272389751 775903151 /nfs/dbraw/zinc/90/31/51/775903151.db2.gz SBXMDJRMXRBBLT-QMMMGPOBSA-N 0 3 272.305 -2.793 20 0 CAADHN CCOCCC(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001272378324 775903462 /nfs/dbraw/zinc/90/34/62/775903462.db2.gz BYHDCQIVMOJRDL-WDEREUQCSA-N 0 3 287.360 -1.242 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1CC=CC1)C(=O)NC(N)=O ZINC001272389133 775903489 /nfs/dbraw/zinc/90/34/89/775903489.db2.gz KMRCHPFNKSJQHD-PSASIEDQSA-N 0 3 298.343 -1.397 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)[nH]1 ZINC001272381562 775903947 /nfs/dbraw/zinc/90/39/47/775903947.db2.gz UFALIROIZUYDPI-SVRRBLITSA-N 0 3 269.305 -1.728 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001077512862 775904685 /nfs/dbraw/zinc/90/46/85/775904685.db2.gz RDHPVBPWQGCVDF-IVZWLZJFSA-N 0 3 255.318 -1.308 20 0 CAADHN C[C@H](C(=O)NC[C@H](O)CNCCF)n1cncn1 ZINC001272396737 775904845 /nfs/dbraw/zinc/90/48/45/775904845.db2.gz COPZNDVLXJGYDU-RKDXNWHRSA-N 0 3 259.285 -1.125 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)NC1=O ZINC001077512413 775904984 /nfs/dbraw/zinc/90/49/84/775904984.db2.gz CWVZQCPPWNRPNC-OUAUKWLOSA-N 0 3 282.344 -1.419 20 0 CAADHN NC(=O)CC(=O)NC[C@H](O)CNCc1ccccn1 ZINC001272390297 775905186 /nfs/dbraw/zinc/90/51/86/775905186.db2.gz ZAJIADDIRVZMMR-SNVBAGLBSA-N 0 3 266.301 -1.476 20 0 CAADHN C[C@H](C(=O)NC[C@@H](O)CNCCF)n1cncn1 ZINC001272396732 775905230 /nfs/dbraw/zinc/90/52/30/775905230.db2.gz COPZNDVLXJGYDU-BDAKNGLRSA-N 0 3 259.285 -1.125 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1=CCCC1 ZINC001272396693 775905488 /nfs/dbraw/zinc/90/54/88/775905488.db2.gz BYOSELSAURSYTK-JTQLQIEISA-N 0 3 255.318 -1.091 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cncnc1)C(N)=O ZINC001272397405 775905716 /nfs/dbraw/zinc/90/57/16/775905716.db2.gz JKUKDJFZGOVUMB-CBAPKCEASA-N 0 3 267.289 -1.969 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cncnc1)C(N)=O ZINC001272397406 775905760 /nfs/dbraw/zinc/90/57/60/775905760.db2.gz JKUKDJFZGOVUMB-IONNQARKSA-N 0 3 267.289 -1.969 20 0 CAADHN C[C@@H](C(=O)NC[C@H](O)CNCCF)n1cncn1 ZINC001272396733 775905952 /nfs/dbraw/zinc/90/59/52/775905952.db2.gz COPZNDVLXJGYDU-DTWKUNHWSA-N 0 3 259.285 -1.125 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)NC1=O ZINC001077512412 775905985 /nfs/dbraw/zinc/90/59/85/775905985.db2.gz CWVZQCPPWNRPNC-GMTAPVOTSA-N 0 3 282.344 -1.419 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CNCCF)n1 ZINC001272405708 775906753 /nfs/dbraw/zinc/90/67/53/775906753.db2.gz ABQSTFCTPNDBAU-MRVPVSSYSA-N 0 3 259.285 -1.052 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C=C1CCC1)C(=O)NC(N)=O ZINC001272399198 775906883 /nfs/dbraw/zinc/90/68/83/775906883.db2.gz WOOFOPQXWQWUBK-PSASIEDQSA-N 0 3 298.343 -1.253 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001272407041 775907052 /nfs/dbraw/zinc/90/70/52/775907052.db2.gz VGKMGNZMWSGWAQ-ZCFIWIBFSA-N 0 3 256.266 -3.019 20 0 CAADHN CC(C)(O)CC(=O)NC[C@H](O)CNCCS(C)(=O)=O ZINC001272406358 775907069 /nfs/dbraw/zinc/90/70/69/775907069.db2.gz IYQMSOSAXWCZKC-SECBINFHSA-N 0 3 296.389 -1.741 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001272405938 775907517 /nfs/dbraw/zinc/90/75/17/775907517.db2.gz DAKQRBJDRGBPDS-VQVTYTSYSA-N 0 3 265.260 -1.560 20 0 CAADHN CC(C)(O)CC(=O)NC[C@@H](O)CNCCS(C)(=O)=O ZINC001272406359 775907528 /nfs/dbraw/zinc/90/75/28/775907528.db2.gz IYQMSOSAXWCZKC-VIFPVBQESA-N 0 3 296.389 -1.741 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C=C1CCC1)C(=O)NC(N)=O ZINC001272399203 775907582 /nfs/dbraw/zinc/90/75/82/775907582.db2.gz WOOFOPQXWQWUBK-WCBMZHEXSA-N 0 3 298.343 -1.253 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cn(C)cn1)C(N)=O ZINC001272399782 775907885 /nfs/dbraw/zinc/90/78/85/775907885.db2.gz ZXPPXXCPFSGBTC-HTQZYQBOSA-N 0 3 269.305 -2.026 20 0 CAADHN Cn1ccc(CC(=O)NC[C@H](O)CNCCF)n1 ZINC001272414958 775909197 /nfs/dbraw/zinc/90/91/97/775909197.db2.gz TZSGTIAHSHCWQW-SNVBAGLBSA-N 0 3 258.297 -1.001 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cc[nH]c1 ZINC001272424940 775909268 /nfs/dbraw/zinc/90/92/68/775909268.db2.gz DZOOGQJTEGBJKX-UWVGGRQHSA-N 0 3 266.301 -1.417 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)nn1 ZINC001272414653 775909494 /nfs/dbraw/zinc/90/94/94/775909494.db2.gz QZGOQHZFFQPDGV-MRVPVSSYSA-N 0 3 267.289 -2.049 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cc[nH]c1 ZINC001272424942 775909709 /nfs/dbraw/zinc/90/97/09/775909709.db2.gz DZOOGQJTEGBJKX-ZJUUUORDSA-N 0 3 266.301 -1.417 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc[nH]c1 ZINC001272426112 775909967 /nfs/dbraw/zinc/90/99/67/775909967.db2.gz RKHXZXNSXUPEOJ-SNVBAGLBSA-N 0 3 268.317 -1.169 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cc[nH]c1 ZINC001272424939 775910237 /nfs/dbraw/zinc/91/02/37/775910237.db2.gz DZOOGQJTEGBJKX-NXEZZACHSA-N 0 3 266.301 -1.417 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C(=O)NCC(F)F)C(N)=O ZINC001272460932 775913325 /nfs/dbraw/zinc/91/33/25/775913325.db2.gz LARDGTBBWZUDFJ-PHDIDXHHSA-N 0 3 296.274 -2.692 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C(=O)NCC(F)F)C(N)=O ZINC001272460933 775913771 /nfs/dbraw/zinc/91/37/71/775913771.db2.gz LARDGTBBWZUDFJ-RITPCOANSA-N 0 3 296.274 -2.692 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083696851 775914985 /nfs/dbraw/zinc/91/49/85/775914985.db2.gz UPFVVGVDBDKFCA-VWYCJHECSA-N 0 3 284.360 -1.173 20 0 CAADHN CCCCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697398 775915016 /nfs/dbraw/zinc/91/50/16/775915016.db2.gz WAAIBMUITUOEPN-NEPJUHHUSA-N 0 3 298.387 -1.620 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083696867 775915048 /nfs/dbraw/zinc/91/50/48/775915048.db2.gz VMBHTZUWUNBCJU-UTLUCORTSA-N 0 3 270.333 -1.419 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083696549 775915121 /nfs/dbraw/zinc/91/51/21/775915121.db2.gz FNCSSJBVKLNVCW-UTLUCORTSA-N 0 3 270.333 -1.420 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)NC1=O ZINC001083700661 775917346 /nfs/dbraw/zinc/91/73/46/775917346.db2.gz SSFQRLRVMXZTSS-WOPDTQHZSA-N 0 3 296.371 -1.029 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCNC1=O)N1CCC1 ZINC001272497171 775921687 /nfs/dbraw/zinc/92/16/87/775921687.db2.gz VHTBMMZXODKYPM-VHSXEESVSA-N 0 3 298.343 -2.579 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001272496617 775922471 /nfs/dbraw/zinc/92/24/71/775922471.db2.gz QFHKPRZQGWJBDU-GHMZBOCLSA-N 0 3 295.343 -1.877 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCNC1=O)N1CCC1 ZINC001272497169 775922734 /nfs/dbraw/zinc/92/27/34/775922734.db2.gz VHTBMMZXODKYPM-NXEZZACHSA-N 0 3 298.343 -2.579 20 0 CAADHN CC(C)(C(=O)NC[C@H](O)CNCC(N)=O)C1CC1 ZINC001272505653 775923833 /nfs/dbraw/zinc/92/38/33/775923833.db2.gz YURBAZLZWUXHBN-SECBINFHSA-N 0 3 257.334 -1.025 20 0 CAADHN Cn1nnc2c1C[C@@H](C(=O)NC[C@@H](O)CNCCF)CC2 ZINC001272503254 775923852 /nfs/dbraw/zinc/92/38/52/775923852.db2.gz BFMQKKOKBKRRNT-UWVGGRQHSA-N 0 3 299.350 -1.044 20 0 CAADHN Cc1coc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001272504784 775924319 /nfs/dbraw/zinc/92/43/19/775924319.db2.gz QDXZKBUYAOAMIT-QMMMGPOBSA-N 0 3 255.274 -1.246 20 0 CAADHN Cc1coc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001272504783 775924738 /nfs/dbraw/zinc/92/47/38/775924738.db2.gz QDXZKBUYAOAMIT-MRVPVSSYSA-N 0 3 255.274 -1.246 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)C(N)=O ZINC001272505253 775924942 /nfs/dbraw/zinc/92/49/42/775924942.db2.gz UXBONTMPLBJJJV-QMMMGPOBSA-N 0 3 255.278 -2.528 20 0 CAADHN NC(=O)C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001272512563 775925913 /nfs/dbraw/zinc/92/59/13/775925913.db2.gz LCFAFNGRHDYEPN-RNFRBKRXSA-N 0 3 258.278 -3.183 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)CC=CC1 ZINC001272511497 775927148 /nfs/dbraw/zinc/92/71/48/775927148.db2.gz CIZLUZLEHWTJEL-VIFPVBQESA-N 0 3 298.343 -1.396 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CC(F)(F)C(F)F ZINC001272521161 775929057 /nfs/dbraw/zinc/92/90/57/775929057.db2.gz NSLPEEPVTICHIW-RXMQYKEDSA-N 0 3 289.229 -1.171 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)C(N)=O ZINC001272514498 775929111 /nfs/dbraw/zinc/92/91/11/775929111.db2.gz VXWRSBLYPAEPCZ-MRVPVSSYSA-N 0 3 274.321 -2.595 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccnnc1 ZINC001272530240 775930048 /nfs/dbraw/zinc/93/00/48/775930048.db2.gz RTCMFLBRHKNRQQ-VIFPVBQESA-N 0 3 267.289 -2.097 20 0 CAADHN CCN(CC)CC(=O)N1CC[C@@H]1CN(C)C(=O)C(N)=O ZINC001289998821 775930102 /nfs/dbraw/zinc/93/01/02/775930102.db2.gz GSVVWKKBKLQRJV-SNVBAGLBSA-N 0 3 284.360 -1.127 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001272536411 775930779 /nfs/dbraw/zinc/93/07/79/775930779.db2.gz CMOGTMFVAGATQQ-GARJFASQSA-N 0 3 269.345 -1.155 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccnnc1 ZINC001272530239 775930870 /nfs/dbraw/zinc/93/08/70/775930870.db2.gz RTCMFLBRHKNRQQ-SECBINFHSA-N 0 3 267.289 -2.097 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001272536412 775930895 /nfs/dbraw/zinc/93/08/95/775930895.db2.gz CMOGTMFVAGATQQ-OUAUKWLOSA-N 0 3 269.345 -1.155 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)C(=O)NCC1CC1 ZINC001272552981 775931507 /nfs/dbraw/zinc/93/15/07/775931507.db2.gz NGXMMNQHBPQVIV-NXEZZACHSA-N 0 3 298.343 -2.532 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001272547057 775931822 /nfs/dbraw/zinc/93/18/22/775931822.db2.gz XFECAZSFBVISFP-IUCAKERBSA-N 0 3 298.343 -2.532 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001272547059 775931916 /nfs/dbraw/zinc/93/19/16/775931916.db2.gz XFECAZSFBVISFP-RKDXNWHRSA-N 0 3 298.343 -2.532 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccncn1 ZINC001272545659 775932139 /nfs/dbraw/zinc/93/21/39/775932139.db2.gz ORASPEHBKPPAFS-ZETCQYMHSA-N 0 3 253.262 -2.358 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)C(=O)NCC1CC1 ZINC001272552984 775932262 /nfs/dbraw/zinc/93/22/62/775932262.db2.gz NGXMMNQHBPQVIV-ZJUUUORDSA-N 0 3 298.343 -2.532 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)C(=O)NCC1CC1 ZINC001272552982 775932304 /nfs/dbraw/zinc/93/23/04/775932304.db2.gz NGXMMNQHBPQVIV-UWVGGRQHSA-N 0 3 298.343 -2.532 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](O)CNCC(N)=O)CCOC1 ZINC001272553373 775933271 /nfs/dbraw/zinc/93/32/71/775933271.db2.gz PEYULJCKYUJGHE-KWQFWETISA-N 0 3 259.306 -2.035 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](O)CNCC(N)=O)CCOC1 ZINC001272553374 775934109 /nfs/dbraw/zinc/93/41/09/775934109.db2.gz PEYULJCKYUJGHE-LDYMZIIASA-N 0 3 259.306 -2.035 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](O)CNCC(N)=O)CCOC1 ZINC001272553371 775934359 /nfs/dbraw/zinc/93/43/59/775934359.db2.gz PEYULJCKYUJGHE-GZMMTYOYSA-N 0 3 259.306 -2.035 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001272567563 775935303 /nfs/dbraw/zinc/93/53/03/775935303.db2.gz RTGYBHLXBMHBAH-MRVPVSSYSA-N 0 3 269.305 -2.187 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@@H]2COC3(CNC3)C2)C1=O ZINC001122142240 775935341 /nfs/dbraw/zinc/93/53/41/775935341.db2.gz LUVLYPKMWSWHRH-QMMMGPOBSA-N 0 3 282.300 -1.873 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@H]2COC3(CNC3)C2)C1=O ZINC001122142239 775935768 /nfs/dbraw/zinc/93/57/68/775935768.db2.gz LUVLYPKMWSWHRH-MRVPVSSYSA-N 0 3 282.300 -1.873 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)n1 ZINC001077526662 775938435 /nfs/dbraw/zinc/93/84/35/775938435.db2.gz UUYWDTSVFLDSMA-OPRDCNLKSA-N 0 3 296.331 -1.979 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnc(N(C)C)cn1 ZINC001127283964 775941553 /nfs/dbraw/zinc/94/15/53/775941553.db2.gz FJVMMPUGLOORCL-UHFFFAOYSA-N 0 3 294.359 -1.002 20 0 CAADHN CN(C)c1cnc(C(=O)NCCN[C@H]2CCNC2=O)cn1 ZINC001127283963 775942042 /nfs/dbraw/zinc/94/20/42/775942042.db2.gz FJOIOFUBVOHVEJ-VIFPVBQESA-N 0 3 292.343 -1.250 20 0 CAADHN C[C@H](NCCNC(=O)c1cnc(N(C)C)cn1)C(N)=O ZINC001127284253 775942196 /nfs/dbraw/zinc/94/21/96/775942196.db2.gz GCBROCJLCFKZMY-QMMMGPOBSA-N 0 3 280.332 -1.264 20 0 CAADHN CN(C)c1cnc(C(=O)NCCN[C@@H]2CCNC2=O)cn1 ZINC001127283962 775942333 /nfs/dbraw/zinc/94/23/33/775942333.db2.gz FJOIOFUBVOHVEJ-SECBINFHSA-N 0 3 292.343 -1.250 20 0 CAADHN CN(C)c1cnc(C(=O)NCCNCC(N)=O)cn1 ZINC001127284998 775942496 /nfs/dbraw/zinc/94/24/96/775942496.db2.gz PWNMRWWBTUZHGN-UHFFFAOYSA-N 0 3 266.305 -1.653 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnc(N(C)C)cn1 ZINC001127284955 775942591 /nfs/dbraw/zinc/94/25/91/775942591.db2.gz OBPVFTWLYNOQOL-SECBINFHSA-N 0 3 294.359 -1.004 20 0 CAADHN CC(=O)NCCN[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001122359750 775945558 /nfs/dbraw/zinc/94/55/58/775945558.db2.gz XKBCSCLNPIVRMI-GXSJLCMTSA-N 0 3 284.360 -1.176 20 0 CAADHN COCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001122338002 775946582 /nfs/dbraw/zinc/94/65/82/775946582.db2.gz VIDZPQZULCLHKR-MRVPVSSYSA-N 0 3 286.332 -1.285 20 0 CAADHN COCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC(C)C ZINC001122337712 775946596 /nfs/dbraw/zinc/94/65/96/775946596.db2.gz RQHJUUGPOXFQDM-SECBINFHSA-N 0 3 288.348 -1.039 20 0 CAADHN CC(=O)NCCN[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001122359755 775946753 /nfs/dbraw/zinc/94/67/53/775946753.db2.gz XKBCSCLNPIVRMI-ONGXEEELSA-N 0 3 284.360 -1.176 20 0 CAADHN COCCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001122416756 775947348 /nfs/dbraw/zinc/94/73/48/775947348.db2.gz KATPCIVRFHIQKJ-LLVKDONJSA-N 0 3 287.360 -1.119 20 0 CAADHN CC(=O)NCCNCC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC001122379319 775947815 /nfs/dbraw/zinc/94/78/15/775947815.db2.gz HPZXZFIYKZEXBY-LBPRGKRZSA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1ccc[nH]1)C(N)=O ZINC001272585558 775947997 /nfs/dbraw/zinc/94/79/97/775947997.db2.gz WQJRWWPIIIJZEG-PSASIEDQSA-N 0 3 268.317 -1.502 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1ccc[nH]1)C(N)=O ZINC001272585561 775948183 /nfs/dbraw/zinc/94/81/83/775948183.db2.gz WQJRWWPIIIJZEG-SCZZXKLOSA-N 0 3 268.317 -1.502 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)[C@H]1CCCS1(=O)=O ZINC001272585934 775948223 /nfs/dbraw/zinc/94/82/23/775948223.db2.gz YPWVNUKPYBTGSW-DTWKUNHWSA-N 0 3 282.337 -1.400 20 0 CAADHN CCCNC(=O)NC(=O)CNCCNC(=O)CCOC ZINC001122393060 775948511 /nfs/dbraw/zinc/94/85/11/775948511.db2.gz BNFCVJXYYFPBIV-UHFFFAOYSA-N 0 3 288.348 -1.036 20 0 CAADHN O=C(NC[C@H](O)CNCCF)[C@@H]1CCCS1(=O)=O ZINC001272585933 775948699 /nfs/dbraw/zinc/94/86/99/775948699.db2.gz YPWVNUKPYBTGSW-BDAKNGLRSA-N 0 3 282.337 -1.400 20 0 CAADHN CC(=O)N1CCN(C(=O)CNCCNC(=O)C2CC2)CC1 ZINC001122450261 775950310 /nfs/dbraw/zinc/95/03/10/775950310.db2.gz XSMDPJIPJNONCQ-UHFFFAOYSA-N 0 3 296.371 -1.207 20 0 CAADHN C[C@]1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN(CCCO)C1 ZINC001046617095 775951501 /nfs/dbraw/zinc/95/15/01/775951501.db2.gz NKZBXLRARSLSHO-WDMOLILDSA-N 0 3 299.371 -1.018 20 0 CAADHN C[C@]1(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN(CCO)C1 ZINC001046663221 775952268 /nfs/dbraw/zinc/95/22/68/775952268.db2.gz XIXVFLUGUMPWLP-UFBFGSQYSA-N 0 3 284.316 -1.843 20 0 CAADHN NC(=O)c1ccnc(C(=O)NC[C@@H](O)CNCCF)c1 ZINC001272590756 775952727 /nfs/dbraw/zinc/95/27/27/775952727.db2.gz BBPICTNEPYWJEF-VIFPVBQESA-N 0 3 284.291 -1.170 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001106297223 775953078 /nfs/dbraw/zinc/95/30/78/775953078.db2.gz ZXDXJHSPKCYCDV-RKDXNWHRSA-N 0 3 293.327 -1.035 20 0 CAADHN NC(=O)c1ccnc(C(=O)NC[C@H](O)CNCCF)c1 ZINC001272590753 775953233 /nfs/dbraw/zinc/95/32/33/775953233.db2.gz BBPICTNEPYWJEF-SECBINFHSA-N 0 3 284.291 -1.170 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)N(C)C(C)C ZINC001122667644 775955232 /nfs/dbraw/zinc/95/52/32/775955232.db2.gz JZQJGIWSELYWGM-UHFFFAOYSA-N 0 3 272.349 -1.305 20 0 CAADHN CNC(=O)CNCCNC(=O)COc1c(C)nn(C)c1C ZINC001127356849 775956764 /nfs/dbraw/zinc/95/67/64/775956764.db2.gz PPYXXSMWRXPAMU-UHFFFAOYSA-N 0 3 297.359 -1.132 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1C ZINC001122965951 775957244 /nfs/dbraw/zinc/95/72/44/775957244.db2.gz MWAIMYSUVXYVQF-HTQZYQBOSA-N 0 3 256.306 -1.196 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1cnccn1 ZINC001122825993 775957630 /nfs/dbraw/zinc/95/76/30/775957630.db2.gz CTSSLLFPFSWECN-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN Cc1nn(C)c(C)c1OCC(=O)NCCNCC(N)=O ZINC001127362505 775958408 /nfs/dbraw/zinc/95/84/08/775958408.db2.gz NYKNHZGHBDAHDE-UHFFFAOYSA-N 0 3 283.332 -1.393 20 0 CAADHN CCOCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001122979508 775958775 /nfs/dbraw/zinc/95/87/75/775958775.db2.gz WUYAFEHIYIPKOS-NSHDSACASA-N 0 3 287.360 -1.119 20 0 CAADHN Cc1cnccc1CC(=O)NCCNCC(=O)NC(N)=O ZINC001127368643 775959414 /nfs/dbraw/zinc/95/94/14/775959414.db2.gz USVHMTCNPMACHQ-UHFFFAOYSA-N 0 3 293.327 -1.167 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](C)NC(C)=O ZINC001123072134 775960242 /nfs/dbraw/zinc/96/02/42/775960242.db2.gz LAWAXDKVPRJOEI-QMMMGPOBSA-N 0 3 258.322 -1.647 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001123070918 775960390 /nfs/dbraw/zinc/96/03/90/775960390.db2.gz ABCSHQRARKKMGJ-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001083734691 775960508 /nfs/dbraw/zinc/96/05/08/775960508.db2.gz QTJWQYQAXULJCH-MNOVXSKESA-N 0 3 278.312 -1.045 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001123090485 775960764 /nfs/dbraw/zinc/96/07/64/775960764.db2.gz IWXSERCOMFSFQD-SSDOTTSWSA-N 0 3 265.273 -1.610 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001123090490 775960956 /nfs/dbraw/zinc/96/09/56/775960956.db2.gz IWXSERCOMFSFQD-ZETCQYMHSA-N 0 3 265.273 -1.610 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001123091548 775961199 /nfs/dbraw/zinc/96/11/99/775961199.db2.gz RKDAMILMYQZNSJ-RQJHMYQMSA-N 0 3 287.320 -2.200 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCNCC(=O)N(C)C ZINC001123070914 775961508 /nfs/dbraw/zinc/96/15/08/775961508.db2.gz AAXAAICLBHUALO-MRVPVSSYSA-N 0 3 258.322 -1.695 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1C(=O)CC(C)(C)C1=O ZINC001127374324 775961645 /nfs/dbraw/zinc/96/16/45/775961645.db2.gz OSHUEJLFODEVCG-UHFFFAOYSA-N 0 3 298.343 -1.777 20 0 CAADHN CSCCC(=O)NCCNCC(=O)NC(N)=O ZINC001123191677 775962589 /nfs/dbraw/zinc/96/25/89/775962589.db2.gz QYLGPYICOZIPLU-UHFFFAOYSA-N 0 3 262.335 -1.360 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCO1 ZINC001123144456 775962918 /nfs/dbraw/zinc/96/29/18/775962918.db2.gz RZICLFFLTAVOJU-VIFPVBQESA-N 0 3 286.332 -1.283 20 0 CAADHN CSCCC(=O)NCCNCCNS(C)(=O)=O ZINC001123205889 775963461 /nfs/dbraw/zinc/96/34/61/775963461.db2.gz GBZIZEHFJGMEQF-UHFFFAOYSA-N 0 3 283.419 -1.006 20 0 CAADHN CCC[C@@H](C)NC(=O)CNCCNC(=O)CNC(N)=O ZINC001123257493 775964530 /nfs/dbraw/zinc/96/45/30/775964530.db2.gz IRERNENETRUEKB-SECBINFHSA-N 0 3 287.364 -1.335 20 0 CAADHN C[C@H](NCCNC(=O)Cn1cnnn1)C(=O)NC(C)(C)C ZINC001123335429 775964705 /nfs/dbraw/zinc/96/47/05/775964705.db2.gz RBRQSHYFQITKSH-VIFPVBQESA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](NCCNC(=O)CNC(N)=O)C(=O)NC(N)=O ZINC001123263393 775965903 /nfs/dbraw/zinc/96/59/03/775965903.db2.gz KMTOIMWJSXUEPM-YFKPBYRVSA-N 0 3 274.281 -3.056 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123312988 775965969 /nfs/dbraw/zinc/96/59/69/775965969.db2.gz MTURCXKQVZHDFJ-UHFFFAOYSA-N 0 3 284.280 -3.166 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cnn(C)c1 ZINC001123360329 775966339 /nfs/dbraw/zinc/96/63/39/775966339.db2.gz YEOWLJHYWAGSIX-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280565030 775966771 /nfs/dbraw/zinc/96/67/71/775966771.db2.gz BXNVNJDHCBZXDF-VIFPVBQESA-N 0 3 286.332 -2.233 20 0 CAADHN O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083740405 775967358 /nfs/dbraw/zinc/96/73/58/775967358.db2.gz BLPCAEPHDNRPGL-AXFHLTTASA-N 0 3 282.344 -1.371 20 0 CAADHN C[C@@H]1COC[C@@H]1NC(=O)C(=O)N1CCCNCC1 ZINC000699833625 775967481 /nfs/dbraw/zinc/96/74/81/775967481.db2.gz FTWXBTZAXZAMFH-ZJUUUORDSA-N 0 3 255.318 -1.041 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740496 775967600 /nfs/dbraw/zinc/96/76/00/775967600.db2.gz FNUPTTLFJGDCCL-HLTSFMKQSA-N 0 3 256.306 -1.763 20 0 CAADHN O=C(N[C@@H]1CN(CC2CCC2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083741001 775967919 /nfs/dbraw/zinc/96/79/19/775967919.db2.gz VYBYKXKVTVNFAY-AXFHLTTASA-N 0 3 282.344 -1.371 20 0 CAADHN C[C@H]1COC[C@H]1NC(=O)C(=O)N1CCCNCC1 ZINC000699833624 775968000 /nfs/dbraw/zinc/96/80/00/775968000.db2.gz FTWXBTZAXZAMFH-VHSXEESVSA-N 0 3 255.318 -1.041 20 0 CAADHN CCO[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1CC1 ZINC001127403078 775968135 /nfs/dbraw/zinc/96/81/35/775968135.db2.gz OLLTYHQVIOWNSI-JTQLQIEISA-N 0 3 286.332 -1.298 20 0 CAADHN CCCCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741021 775968179 /nfs/dbraw/zinc/96/81/79/775968179.db2.gz WMGKMRWXHKVIPR-AEJSXWLSSA-N 0 3 270.333 -1.371 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740497 775968277 /nfs/dbraw/zinc/96/82/77/775968277.db2.gz FNUPTTLFJGDCCL-YIZRAAEISA-N 0 3 256.306 -1.763 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@@H]1CNC(=O)N1 ZINC001083741408 775969482 /nfs/dbraw/zinc/96/94/82/775969482.db2.gz HMCFAHCCLNOXLB-AEJSXWLSSA-N 0 3 268.317 -1.761 20 0 CAADHN Cc1c(C(=O)NCCNCC(=O)NC(N)=O)cnn1C ZINC001123592372 775975950 /nfs/dbraw/zinc/97/59/50/775975950.db2.gz WLERPFHMVDIJCL-UHFFFAOYSA-N 0 3 282.304 -1.757 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCCC(C)=O ZINC001123480158 775976347 /nfs/dbraw/zinc/97/63/47/775976347.db2.gz LODYCCJNSNMGMR-UHFFFAOYSA-N 0 3 286.332 -1.093 20 0 CAADHN COC(=O)[C@@H]1CNCCN1CC1=CS[C@H](N)N1 ZINC001236052909 775977574 /nfs/dbraw/zinc/97/75/74/775977574.db2.gz IXFUMESZEIVYMY-WCBMZHEXSA-N 0 3 258.347 -1.147 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)NCc1cn[nH]n1 ZINC001123732003 775977633 /nfs/dbraw/zinc/97/76/33/775977633.db2.gz ODIRFMILVDSHNH-SCZZXKLOSA-N 0 3 250.306 -1.191 20 0 CAADHN NC(=O)CNCCNC(=O)CCOCC(F)F ZINC001127423020 775977998 /nfs/dbraw/zinc/97/79/98/775977998.db2.gz CGMLVFWOVRNNMR-UHFFFAOYSA-N 0 3 253.249 -1.151 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127427916 775978311 /nfs/dbraw/zinc/97/83/11/775978311.db2.gz BBSFDPUYWQTJFT-UHFFFAOYSA-N 0 3 283.336 -1.706 20 0 CAADHN O=C(Cn1ncnn1)NCCNCC(=O)N1CCCC1 ZINC001127433324 775979041 /nfs/dbraw/zinc/97/90/41/775979041.db2.gz LMJQOJPCHNBTKC-UHFFFAOYSA-N 0 3 281.320 -1.999 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433525 775979060 /nfs/dbraw/zinc/97/90/60/775979060.db2.gz QATBAKFUKZSUKB-UHFFFAOYSA-N 0 3 255.282 -2.485 20 0 CAADHN O=C(Cn1ncnn1)NCCNCC(=O)N1CCC1 ZINC001127433310 775979420 /nfs/dbraw/zinc/97/94/20/775979420.db2.gz KTLABFQLEZQFFN-UHFFFAOYSA-N 0 3 267.293 -2.389 20 0 CAADHN COc1cc(CNCCNC(=O)Cn2ncnn2)ccn1 ZINC001127433116 775979713 /nfs/dbraw/zinc/97/97/13/775979713.db2.gz FQNRTHFMBQUQOG-UHFFFAOYSA-N 0 3 291.315 -1.017 20 0 CAADHN O=C(Cn1ncnn1)NCCN[C@H]1CCNC1=O ZINC001127433182 775979828 /nfs/dbraw/zinc/97/98/28/775979828.db2.gz HOCJACYHOCCNOT-ZETCQYMHSA-N 0 3 253.266 -2.733 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433127 775979880 /nfs/dbraw/zinc/97/98/80/775979880.db2.gz GKMYFJHWUYSIDZ-UHFFFAOYSA-N 0 3 299.335 -2.468 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433334 775979914 /nfs/dbraw/zinc/97/99/14/775979914.db2.gz MLZGIOBHJLXGAO-UHFFFAOYSA-N 0 3 299.335 -2.468 20 0 CAADHN CC(=O)N(C)CC(=O)NCCNCC(=O)N1CCC1 ZINC001123804739 775980446 /nfs/dbraw/zinc/98/04/46/775980446.db2.gz KCUKAAJUJMNKCI-UHFFFAOYSA-N 0 3 270.333 -1.597 20 0 CAADHN O=C(CNCCNC(=O)Cn1ncnn1)NCC1CCC1 ZINC001127433841 775980518 /nfs/dbraw/zinc/98/05/18/775980518.db2.gz WTFZWBKQTFMLIF-UHFFFAOYSA-N 0 3 295.347 -1.705 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433885 775980806 /nfs/dbraw/zinc/98/08/06/775980806.db2.gz YSAVFIWMOSDOEK-UHFFFAOYSA-N 0 3 298.307 -2.775 20 0 CAADHN O=C(Cn1ncnn1)NCCN[C@H]1CCC(=O)NC1=O ZINC001127437450 775981302 /nfs/dbraw/zinc/98/13/02/775981302.db2.gz BRRGXHACKJABDE-ZETCQYMHSA-N 0 3 281.276 -2.816 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)Cn2ncnn2)C1=O ZINC001127438444 775982092 /nfs/dbraw/zinc/98/20/92/775982092.db2.gz RESXEMOIMUYGQO-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)Cn2ncnn2)C1=O ZINC001127438442 775982199 /nfs/dbraw/zinc/98/21/99/775982199.db2.gz RESXEMOIMUYGQO-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN CC(=O)N(C)CC(=O)NCCNCC(=O)NC1CC1 ZINC001123810634 775982244 /nfs/dbraw/zinc/98/22/44/775982244.db2.gz OATYUGRRTVREPW-UHFFFAOYSA-N 0 3 270.333 -1.551 20 0 CAADHN O=C(Cn1ncnn1)NCCN[C@@H]1CCCNC1=O ZINC001127438937 775982373 /nfs/dbraw/zinc/98/23/73/775982373.db2.gz XKMDHQGSZFGHPK-MRVPVSSYSA-N 0 3 267.293 -2.343 20 0 CAADHN CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127442399 775983159 /nfs/dbraw/zinc/98/31/59/775983159.db2.gz DBBKVEHBLKOXLX-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN CCC(CC)NC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127449518 775983684 /nfs/dbraw/zinc/98/36/84/775983684.db2.gz KWXCKDYMWGNCNM-UHFFFAOYSA-N 0 3 297.363 -1.316 20 0 CAADHN Cn1ncc(Cl)c1C(=O)NCCNCC(N)=O ZINC001127454963 775983889 /nfs/dbraw/zinc/98/38/89/775983889.db2.gz OZMZNHFKYVDHOQ-UHFFFAOYSA-N 0 3 259.697 -1.122 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1ncnn1)C(=O)N(C)C ZINC001127443347 775983933 /nfs/dbraw/zinc/98/39/33/775983933.db2.gz RUKPWDFVGNXFET-MRVPVSSYSA-N 0 3 269.309 -2.144 20 0 CAADHN C[C@H](NCCNC(=O)Cn1ncnn1)C(=O)NC(C)(C)C ZINC001127449080 775984237 /nfs/dbraw/zinc/98/42/37/775984237.db2.gz AKSRUESFTPJELH-VIFPVBQESA-N 0 3 297.363 -1.318 20 0 CAADHN CCCCNC(=O)[C@@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449890 775984306 /nfs/dbraw/zinc/98/43/06/775984306.db2.gz WVBCVBPKHLUJMV-SNVBAGLBSA-N 0 3 297.363 -1.316 20 0 CAADHN CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449497 775984355 /nfs/dbraw/zinc/98/43/55/775984355.db2.gz JYQJETORDCTABG-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449799 775984586 /nfs/dbraw/zinc/98/45/86/775984586.db2.gz UKXPNUWZZWZHAC-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN CCN(CC)C(=O)[C@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449639 775984714 /nfs/dbraw/zinc/98/47/14/775984714.db2.gz OMENGLWQTTYIFC-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@H](NCCNC(=O)Cn1ncnn1)C(=O)NC1CC1 ZINC001127449491 775984766 /nfs/dbraw/zinc/98/47/66/775984766.db2.gz JTWAYXXPOWEATH-QMMMGPOBSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1ncnn1)C(=O)NC(C)(C)C ZINC001127449079 775984780 /nfs/dbraw/zinc/98/47/80/775984780.db2.gz AKSRUESFTPJELH-SECBINFHSA-N 0 3 297.363 -1.318 20 0 CAADHN CCCC[C@H](NCCNC(=O)Cn1ncnn1)C(N)=O ZINC001127443424 775984831 /nfs/dbraw/zinc/98/48/31/775984831.db2.gz VOFUGGLQXYYCAQ-VIFPVBQESA-N 0 3 283.336 -1.577 20 0 CAADHN CN1CC[C@H](NCCNC(=O)Cn2ncnn2)C1=O ZINC001127443191 775984860 /nfs/dbraw/zinc/98/48/60/775984860.db2.gz PRKYZNDVCAKPGN-QMMMGPOBSA-N 0 3 267.293 -2.390 20 0 CAADHN COc1cc(C(=O)NCCN[C@@H]2CCNC2=O)ncn1 ZINC001127464280 775985488 /nfs/dbraw/zinc/98/54/88/775985488.db2.gz SDTIVHHQVHIAQE-MRVPVSSYSA-N 0 3 279.300 -1.307 20 0 CAADHN COc1cc(C(=O)NCCN[C@@H](C)C(N)=O)ncn1 ZINC001127464473 775985796 /nfs/dbraw/zinc/98/57/96/775985796.db2.gz YFRRBBKWFJQPCF-ZETCQYMHSA-N 0 3 267.289 -1.322 20 0 CAADHN COc1cc(C(=O)NCCN[C@H]2CCNC2=O)ncn1 ZINC001127464281 775986264 /nfs/dbraw/zinc/98/62/64/775986264.db2.gz SDTIVHHQVHIAQE-QMMMGPOBSA-N 0 3 279.300 -1.307 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@H](NC(=O)C(N)=O)CC(C)(C)C1 ZINC001089479133 775986296 /nfs/dbraw/zinc/98/62/96/775986296.db2.gz CWEFZNWNFBYDDT-BDAKNGLRSA-N 0 3 284.360 -1.048 20 0 CAADHN COc1cc(C(=O)NCCN[C@H](C)C(N)=O)ncn1 ZINC001127464472 775986802 /nfs/dbraw/zinc/98/68/02/775986802.db2.gz YFRRBBKWFJQPCF-SSDOTTSWSA-N 0 3 267.289 -1.322 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1COCCO1)C(=O)N(C)C ZINC001123883931 775987999 /nfs/dbraw/zinc/98/79/99/775987999.db2.gz SLSCBZXAGHJQIK-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1COCCO1)C(=O)N(C)C ZINC001123883975 775988427 /nfs/dbraw/zinc/98/84/27/775988427.db2.gz SLSCBZXAGHJQIK-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1COCCO1)C(=O)N(C)C ZINC001123883933 775988558 /nfs/dbraw/zinc/98/85/58/775988558.db2.gz SLSCBZXAGHJQIK-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN CCCNC(=O)NC(=O)CNCCNC(=O)c1ccn[nH]1 ZINC001123897780 775988609 /nfs/dbraw/zinc/98/86/09/775988609.db2.gz NZLVPQSPJZFFFX-UHFFFAOYSA-N 0 3 296.331 -1.035 20 0 CAADHN CCO[C@H](C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123968598 775989192 /nfs/dbraw/zinc/98/91/92/775989192.db2.gz PUBGUMQSRYSDMZ-RKDXNWHRSA-N 0 3 271.317 -1.078 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001127554502 775989333 /nfs/dbraw/zinc/98/93/33/775989333.db2.gz ZKYIRPXUDSDVGH-MWLCHTKSSA-N 0 3 296.371 -1.115 20 0 CAADHN CCO[C@@H](C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001123968597 775989699 /nfs/dbraw/zinc/98/96/99/775989699.db2.gz PUBGUMQSRYSDMZ-IUCAKERBSA-N 0 3 271.317 -1.078 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001127554174 775990512 /nfs/dbraw/zinc/99/05/12/775990512.db2.gz KAPHQSBJWWMMSH-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001127554072 775990671 /nfs/dbraw/zinc/99/06/71/775990671.db2.gz FCAYKEUPLZSUDP-OUAUKWLOSA-N 0 3 296.371 -1.115 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001127554100 775990951 /nfs/dbraw/zinc/99/09/51/775990951.db2.gz GIHCPQSTXXHGDB-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN CCO[C@@H](C)C(=O)NCCNCC(=O)NC(=O)NC ZINC001123963209 775990969 /nfs/dbraw/zinc/99/09/69/775990969.db2.gz PSXZDIFZTHDAGT-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CNC(=O)C1CC1 ZINC001124088377 775991798 /nfs/dbraw/zinc/99/17/98/775991798.db2.gz AECRNQZINMHYAK-UHFFFAOYSA-N 0 3 285.304 -2.587 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)NCCN[C@H]2CCN(C)C2=O)C1 ZINC001127571674 775994091 /nfs/dbraw/zinc/99/40/91/775994091.db2.gz XBTYNIHKJOBYTI-OUAUKWLOSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cc(C)n(C)n1 ZINC001124282808 775996336 /nfs/dbraw/zinc/99/63/36/775996336.db2.gz ZPLHXSVSMXNQNG-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)[nH]n1 ZINC001124246695 775996642 /nfs/dbraw/zinc/99/66/42/775996642.db2.gz CPFVAKWUNBVNHA-SSDOTTSWSA-N 0 3 282.304 -1.379 20 0 CAADHN NC(=O)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089853207 775999380 /nfs/dbraw/zinc/99/93/80/775999380.db2.gz RDFIXXMIMQLBDZ-JXUBOQSCSA-N 0 3 280.328 -1.874 20 0 CAADHN C[C@H](NCCNC(=O)CS(C)(=O)=O)C(=O)NC1CC1 ZINC001124367585 775999622 /nfs/dbraw/zinc/99/96/22/775999622.db2.gz XMQOUOKVARCGEY-QMMMGPOBSA-N 0 3 291.373 -1.596 20 0 CAADHN NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089853206 776000210 /nfs/dbraw/zinc/00/02/10/776000210.db2.gz RDFIXXMIMQLBDZ-JLIMGVALSA-N 0 3 280.328 -1.874 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089852804 776000491 /nfs/dbraw/zinc/00/04/91/776000491.db2.gz KNCYMKUQBNCOKC-VLEAKVRGSA-N 0 3 294.355 -1.614 20 0 CAADHN C[C@@H](NCCNC(=O)CS(C)(=O)=O)C(=O)NC1CC1 ZINC001124367583 776000650 /nfs/dbraw/zinc/00/06/50/776000650.db2.gz XMQOUOKVARCGEY-MRVPVSSYSA-N 0 3 291.373 -1.596 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)CS(C)(=O)=O ZINC001124367630 776001889 /nfs/dbraw/zinc/00/18/89/776001889.db2.gz ZLLHCSJKJOTGCB-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@@H]1CN(C(=O)CNCCNC(=O)[C@@H]2CCOC2)CCO1 ZINC001124507970 776003600 /nfs/dbraw/zinc/00/36/00/776003600.db2.gz ALODQCIWHUVZGK-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)[C@H]1CCOC1 ZINC001124500718 776004755 /nfs/dbraw/zinc/00/47/55/776004755.db2.gz DEFJKRNSZRVEQT-NSHDSACASA-N 0 3 287.360 -1.119 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccnn1C ZINC001124544427 776004589 /nfs/dbraw/zinc/00/45/89/776004589.db2.gz FYRHBIZGAPIART-UHFFFAOYSA-N 0 3 253.306 -1.172 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCOC1 ZINC001124501121 776004728 /nfs/dbraw/zinc/00/47/28/776004728.db2.gz HOZBIOLERCHKAM-SSDOTTSWSA-N 0 3 258.278 -2.076 20 0 CAADHN CC(C)OCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001124432090 776004964 /nfs/dbraw/zinc/00/49/64/776004964.db2.gz KXWYJMHPMOIUCI-UHFFFAOYSA-N 0 3 287.360 -1.024 20 0 CAADHN CC[C@H](OC)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124550329 776005722 /nfs/dbraw/zinc/00/57/22/776005722.db2.gz GNAYYBADHRAMNA-IUCAKERBSA-N 0 3 271.317 -1.078 20 0 CAADHN CC[C@H](OC)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001124562116 776005924 /nfs/dbraw/zinc/00/59/24/776005924.db2.gz VTXZZGPZSPRDHU-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@H](OC)C(=O)NCCNCC(=O)NC(N)=O ZINC001124556081 776006071 /nfs/dbraw/zinc/00/60/71/776006071.db2.gz IAMMDGZZKKIXBT-ZETCQYMHSA-N 0 3 260.294 -1.688 20 0 CAADHN CC[C@@H](OC)C(=O)NCCNCCNS(C)(=O)=O ZINC001124556186 776006163 /nfs/dbraw/zinc/00/61/63/776006163.db2.gz IMKWCGPVRXCTNR-SECBINFHSA-N 0 3 281.378 -1.334 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1cnn(C)c1)C(N)=O ZINC001124621772 776006203 /nfs/dbraw/zinc/00/62/03/776006203.db2.gz QZVLJXKSSDIXIP-MRVPVSSYSA-N 0 3 253.306 -1.458 20 0 CAADHN CC[C@@H](OC)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001124562115 776006418 /nfs/dbraw/zinc/00/64/18/776006418.db2.gz VTXZZGPZSPRDHU-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2ccnn2C)C1=O ZINC001124550583 776006442 /nfs/dbraw/zinc/00/64/42/776006442.db2.gz KUORDGHCHLAHKD-VIFPVBQESA-N 0 3 265.317 -1.030 20 0 CAADHN Cn1cc(CC(=O)NCCN[C@H]2CCC(=O)NC2=O)cn1 ZINC001124622050 776006607 /nfs/dbraw/zinc/00/66/07/776006607.db2.gz RVSZSKBTOKVHBF-JTQLQIEISA-N 0 3 293.327 -1.526 20 0 CAADHN Cn1nccc1C(=O)NCCN[C@H]1CCNC1=O ZINC001124544713 776006781 /nfs/dbraw/zinc/00/67/81/776006781.db2.gz OGHUWXDPJJUPKM-QMMMGPOBSA-N 0 3 251.290 -1.372 20 0 CAADHN CC[C@@H](OC)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124550328 776006964 /nfs/dbraw/zinc/00/69/64/776006964.db2.gz GNAYYBADHRAMNA-DTWKUNHWSA-N 0 3 271.317 -1.078 20 0 CAADHN CC[C@@H](OC)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001124562117 776007037 /nfs/dbraw/zinc/00/70/37/776007037.db2.gz VTXZZGPZSPRDHU-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN Cn1nccc1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001124544662 776007270 /nfs/dbraw/zinc/00/72/70/776007270.db2.gz MLWNCOXWJUBSCZ-UHFFFAOYSA-N 0 3 295.343 -1.402 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083776208 776008286 /nfs/dbraw/zinc/00/82/86/776008286.db2.gz IHMUKFDKAUPLJB-NOOOWODRSA-N 0 3 299.371 -1.163 20 0 CAADHN CCOCCC(=O)NCCNCC(=O)NC(N)=O ZINC001124697077 776009952 /nfs/dbraw/zinc/00/99/52/776009952.db2.gz XMSJHMROTZZZCM-UHFFFAOYSA-N 0 3 260.294 -1.686 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001125080308 776021507 /nfs/dbraw/zinc/02/15/07/776021507.db2.gz POPRYYPYHOZTTD-UHFFFAOYSA-N 0 3 284.238 -1.754 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1CCCOC1 ZINC001124691002 776010219 /nfs/dbraw/zinc/01/02/19/776010219.db2.gz LVYZOUPRWCNGKZ-NXEZZACHSA-N 0 3 283.328 -1.076 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1CCCOC1 ZINC001124691003 776010368 /nfs/dbraw/zinc/01/03/68/776010368.db2.gz LVYZOUPRWCNGKZ-UWVGGRQHSA-N 0 3 283.328 -1.076 20 0 CAADHN COC[C@@H](C)C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001124753485 776011391 /nfs/dbraw/zinc/01/13/91/776011391.db2.gz JLJAIIMUJPMCCN-SNVBAGLBSA-N 0 3 295.405 -1.134 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCOC1)C(=O)NC(N)=O ZINC001124711571 776011490 /nfs/dbraw/zinc/01/14/90/776011490.db2.gz QZFRVYIWTHVXMB-IUCAKERBSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)COC ZINC001124760781 776011516 /nfs/dbraw/zinc/01/15/16/776011516.db2.gz PZVJYOYFHHBYGL-DTWKUNHWSA-N 0 3 288.348 -1.181 20 0 CAADHN COC[C@@H](C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124753917 776011834 /nfs/dbraw/zinc/01/18/34/776011834.db2.gz MEVUGIFSVNWMRD-BDAKNGLRSA-N 0 3 271.317 -1.220 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C)COC ZINC001124760782 776011902 /nfs/dbraw/zinc/01/19/02/776011902.db2.gz PZVJYOYFHHBYGL-IUCAKERBSA-N 0 3 288.348 -1.181 20 0 CAADHN CCOCCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001124723498 776011972 /nfs/dbraw/zinc/01/19/72/776011972.db2.gz UZZXIQQGMHMCEX-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN COC[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001124753398 776012198 /nfs/dbraw/zinc/01/21/98/776012198.db2.gz HGUYJZZTASUHKT-SSDOTTSWSA-N 0 3 260.294 -1.830 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001124732189 776012330 /nfs/dbraw/zinc/01/23/30/776012330.db2.gz GHNAWBDGEWCEQI-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCOC1)C(=O)NC(N)=O ZINC001124711569 776012441 /nfs/dbraw/zinc/01/24/41/776012441.db2.gz QZFRVYIWTHVXMB-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[nH]1 ZINC001124851104 776013085 /nfs/dbraw/zinc/01/30/85/776013085.db2.gz STZSPZSOMBWEEL-LURJTMIESA-N 0 3 282.304 -1.379 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124810143 776013363 /nfs/dbraw/zinc/01/33/63/776013363.db2.gz HUQFPSRMYBNGJB-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CCC(=O)N1 ZINC001124814956 776013970 /nfs/dbraw/zinc/01/39/70/776013970.db2.gz TYEGYLUKKOQYLK-DTWKUNHWSA-N 0 3 268.317 -1.751 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@H]2CCNC2=O)[nH]1 ZINC001124826172 776014432 /nfs/dbraw/zinc/01/44/32/776014432.db2.gz ZQZUBSKYMPVGNR-QMMMGPOBSA-N 0 3 251.290 -1.074 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1CCC(=O)N1 ZINC001124814875 776014454 /nfs/dbraw/zinc/01/44/54/776014454.db2.gz QXGABXWSNDUTHU-JGVFFNPUSA-N 0 3 282.300 -2.224 20 0 CAADHN CCC(=O)NCC(=O)NCCNCC(=O)NC(C)C ZINC001124873525 776015929 /nfs/dbraw/zinc/01/59/29/776015929.db2.gz WVEGGPXEXLPBCZ-UHFFFAOYSA-N 0 3 272.349 -1.257 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001124861218 776015971 /nfs/dbraw/zinc/01/59/71/776015971.db2.gz GPBJSGZYBOUNHH-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001124861265 776016687 /nfs/dbraw/zinc/01/66/87/776016687.db2.gz IKZWDOJGCHCPFK-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001124861281 776016697 /nfs/dbraw/zinc/01/66/97/776016697.db2.gz JNWMFCWTZZIWSJ-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@H](C)C(=O)NC ZINC001124862271 776016734 /nfs/dbraw/zinc/01/67/34/776016734.db2.gz ZZRDTAKAQLZEAG-MRVPVSSYSA-N 0 3 258.322 -1.647 20 0 CAADHN CCOC1CC(CN2C[C@H](O)[C@@H](N(C)C(=O)C(N)=O)C2)C1 ZINC001047510669 776018075 /nfs/dbraw/zinc/01/80/75/776018075.db2.gz ZZDKHENNDPZSMX-QQFIATSDSA-N 0 3 299.371 -1.210 20 0 CAADHN COCCOCC(=O)NCCNCC(=O)N1CCCC1 ZINC001124921868 776018587 /nfs/dbraw/zinc/01/85/87/776018587.db2.gz ZXEQHJSFDDMOEW-UHFFFAOYSA-N 0 3 287.360 -1.022 20 0 CAADHN C[C@H](NCCNC(=O)C(=O)C(C)(C)C)C(=O)NC(N)=O ZINC001124972336 776018750 /nfs/dbraw/zinc/01/87/50/776018750.db2.gz RCIFQOOBEXWUDJ-ZETCQYMHSA-N 0 3 286.332 -1.109 20 0 CAADHN COCCOCC(=O)NCCNCC(=O)NCC1CC1 ZINC001124921856 776019139 /nfs/dbraw/zinc/01/91/39/776019139.db2.gz ZTZLCECKFMEPHL-UHFFFAOYSA-N 0 3 287.360 -1.119 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cn(C)nc1C ZINC001124968222 776019473 /nfs/dbraw/zinc/01/94/73/776019473.db2.gz XCFQVPNWVFOZOA-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN COCCOCC(=O)NCCNCC(=O)NC1CC1 ZINC001124921530 776019603 /nfs/dbraw/zinc/01/96/03/776019603.db2.gz UVYSBNOLMXKUDL-UHFFFAOYSA-N 0 3 273.333 -1.366 20 0 CAADHN Cc1nn(C)cc1C(=O)NCCN[C@H](C)C(N)=O ZINC001124972607 776019616 /nfs/dbraw/zinc/01/96/16/776019616.db2.gz UZJVQQIRSNIXSC-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)COCCOC ZINC001124926546 776020043 /nfs/dbraw/zinc/02/00/43/776020043.db2.gz ZSOKJALILCCSPR-SECBINFHSA-N 0 3 261.322 -1.510 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)COCCOC ZINC001124921278 776020095 /nfs/dbraw/zinc/02/00/95/776020095.db2.gz QPSLLUKQGIKWSU-UHFFFAOYSA-N 0 3 290.320 -2.189 20 0 CAADHN Cc1nn(C)cc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124980575 776020216 /nfs/dbraw/zinc/02/02/16/776020216.db2.gz LTEKQWYIJXXVQJ-JTQLQIEISA-N 0 3 293.327 -1.147 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001125080289 776020791 /nfs/dbraw/zinc/02/07/91/776020791.db2.gz OVUDKIIRNVEQSK-VIFPVBQESA-N 0 3 286.332 -2.137 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@@H]2CN(CCO)C[C@@H]2O)C1 ZINC001083781763 776021485 /nfs/dbraw/zinc/02/14/85/776021485.db2.gz UXVBBLAPFOVKKP-TUAOUCFPSA-N 0 3 271.361 -1.518 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(CCO)C[C@@H]2O)C1 ZINC001083781764 776021308 /nfs/dbraw/zinc/02/13/08/776021308.db2.gz UXVBBLAPFOVKKP-UTUOFQBUSA-N 0 3 271.361 -1.518 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@@H]2CN(CCCO)C[C@@H]2O)C1 ZINC001083781624 776021794 /nfs/dbraw/zinc/02/17/94/776021794.db2.gz PCNOPGYAFZURTQ-XQQFMLRXSA-N 0 3 285.388 -1.128 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NCC1CC1 ZINC001125080777 776022057 /nfs/dbraw/zinc/02/20/57/776022057.db2.gz XXXDBGCQMYAVAH-UHFFFAOYSA-N 0 3 256.306 -1.906 20 0 CAADHN CC(C)[C@@H](C)NC(=O)CNCCNC(=O)CC(N)=O ZINC001125080647 776022153 /nfs/dbraw/zinc/02/21/53/776022153.db2.gz SIWNHIHQXCETKE-SECBINFHSA-N 0 3 272.349 -1.272 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)CC(N)=O ZINC001125080740 776022387 /nfs/dbraw/zinc/02/23/87/776022387.db2.gz WVHAAEXQXDCENX-UHFFFAOYSA-N 0 3 258.322 -1.566 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)CC(N)=O ZINC001125079749 776023158 /nfs/dbraw/zinc/02/31/58/776023158.db2.gz IRQLODOTZUKTEV-QMMMGPOBSA-N 0 3 258.322 -1.518 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NCC1CCC1 ZINC001125080049 776023262 /nfs/dbraw/zinc/02/32/62/776023262.db2.gz MRZRTWDAEVBVQH-UHFFFAOYSA-N 0 3 270.333 -1.516 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NC1CCCC1 ZINC001125079743 776023324 /nfs/dbraw/zinc/02/33/24/776023324.db2.gz IISNPEBPHFWUHC-UHFFFAOYSA-N 0 3 270.333 -1.374 20 0 CAADHN CC1CCN(C(=O)CNCCNC(=O)CC(N)=O)CC1 ZINC001125079700 776023480 /nfs/dbraw/zinc/02/34/80/776023480.db2.gz GLQCKORTNQWUIQ-UHFFFAOYSA-N 0 3 284.360 -1.174 20 0 CAADHN C[C@H]1CN(C(=O)CNCCNC(=O)CC(N)=O)CCO1 ZINC001125084920 776023683 /nfs/dbraw/zinc/02/36/83/776023683.db2.gz OASXCASHMLQFQP-VIFPVBQESA-N 0 3 286.332 -2.185 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NCc1cccs1 ZINC001125084630 776023765 /nfs/dbraw/zinc/02/37/65/776023765.db2.gz BJKHSRKRVVAMFB-UHFFFAOYSA-N 0 3 298.368 -1.055 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NCc1ccco1 ZINC001125079665 776023785 /nfs/dbraw/zinc/02/37/85/776023785.db2.gz FJKJPUQIVUQBPZ-UHFFFAOYSA-N 0 3 282.300 -1.523 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)CC(N)=O ZINC001125079990 776023825 /nfs/dbraw/zinc/02/38/25/776023825.db2.gz KHXXHTMXQHOKFF-UHFFFAOYSA-N 0 3 258.322 -1.518 20 0 CAADHN CCC(C)(C)NC(=O)CNCCNC(=O)CC(N)=O ZINC001125080040 776024387 /nfs/dbraw/zinc/02/43/87/776024387.db2.gz MJCOHPSKQMXIIB-UHFFFAOYSA-N 0 3 272.349 -1.128 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001125080072 776024357 /nfs/dbraw/zinc/02/43/57/776024357.db2.gz NTVRMGHCUWXQEX-UHFFFAOYSA-N 0 3 272.305 -2.574 20 0 CAADHN CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)CC(N)=O ZINC001125095709 776025026 /nfs/dbraw/zinc/02/50/26/776025026.db2.gz YGYDFTOZHYJYDB-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)CC(N)=O ZINC001125090611 776025048 /nfs/dbraw/zinc/02/50/48/776025048.db2.gz MKMHETUIZONDJC-SECBINFHSA-N 0 3 272.349 -1.177 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001125090701 776025057 /nfs/dbraw/zinc/02/50/57/776025057.db2.gz QJHATRYKZWFTNQ-VIFPVBQESA-N 0 3 286.332 -2.280 20 0 CAADHN C[C@H](NCCNC(=O)CC(N)=O)C(=O)NCC(F)(F)F ZINC001125090761 776025067 /nfs/dbraw/zinc/02/50/67/776025067.db2.gz RPNPPMGNIABYOF-LURJTMIESA-N 0 3 298.265 -1.365 20 0 CAADHN CCc1ocnc1C(=O)NCCNCC(=O)NC(N)=O ZINC001125108392 776025096 /nfs/dbraw/zinc/02/50/96/776025096.db2.gz AFDDVQYJTWQRCD-UHFFFAOYSA-N 0 3 283.288 -1.249 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NCCNC(=O)CC(N)=O ZINC001125095391 776025178 /nfs/dbraw/zinc/02/51/78/776025178.db2.gz SFJKPFJQSLAUFP-SECBINFHSA-N 0 3 272.349 -1.272 20 0 CAADHN NC(=O)CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001125084755 776025342 /nfs/dbraw/zinc/02/53/42/776025342.db2.gz HIBGFCKISITWAF-LURJTMIESA-N 0 3 256.262 -2.627 20 0 CAADHN CCN(CC)C(=O)[C@@H](C)NCCNC(=O)CC(N)=O ZINC001125095657 776025440 /nfs/dbraw/zinc/02/54/40/776025440.db2.gz WLNMJZOQORNJME-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN NC(=O)CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001125084756 776025580 /nfs/dbraw/zinc/02/55/80/776025580.db2.gz HIBGFCKISITWAF-ZCFIWIBFSA-N 0 3 256.262 -2.627 20 0 CAADHN CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)CC(N)=O ZINC001125095712 776025973 /nfs/dbraw/zinc/02/59/73/776025973.db2.gz YGYDFTOZHYJYDB-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@H](NCCNC(=O)CC(N)=O)C(=O)NC1CC1 ZINC001125090438 776026154 /nfs/dbraw/zinc/02/61/54/776026154.db2.gz JWPRMISAINLQHK-ZETCQYMHSA-N 0 3 256.306 -1.765 20 0 CAADHN CN(CC(F)(F)F)C(=O)CNCCNC(=O)CC(N)=O ZINC001125090861 776026175 /nfs/dbraw/zinc/02/61/75/776026175.db2.gz UYWVPUIMGBLZDI-UHFFFAOYSA-N 0 3 298.265 -1.412 20 0 CAADHN C[C@@H](NCCNC(=O)CC(N)=O)C(=O)NC1CC1 ZINC001125090437 776026284 /nfs/dbraw/zinc/02/62/84/776026284.db2.gz JWPRMISAINLQHK-SSDOTTSWSA-N 0 3 256.306 -1.765 20 0 CAADHN O=C(C[C@@H]1CCOC1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001125123120 776026816 /nfs/dbraw/zinc/02/68/16/776026816.db2.gz KVBKIQCHRIZKEN-VHSXEESVSA-N 0 3 283.328 -1.076 20 0 CAADHN O=C(C[C@H]1CCOC1)NCCNCC(=O)N1CCOCC1 ZINC001125118209 776026913 /nfs/dbraw/zinc/02/69/13/776026913.db2.gz GHJHWNARZJPNAC-GFCCVEGCSA-N 0 3 299.371 -1.022 20 0 CAADHN O=C(C[C@@H]1CCOC1)NCCN[C@H]1CCC(=O)NC1=O ZINC001125123119 776026975 /nfs/dbraw/zinc/02/69/75/776026975.db2.gz KVBKIQCHRIZKEN-UWVGGRQHSA-N 0 3 283.328 -1.076 20 0 CAADHN Cc1c(C(=O)NCCN[C@H]2CCCNC2=O)nnn1C ZINC001125175611 776027007 /nfs/dbraw/zinc/02/70/07/776027007.db2.gz XMFXFNJNNDESRQ-VIFPVBQESA-N 0 3 280.332 -1.278 20 0 CAADHN O=C(Cc1ccon1)NCCNCC(=O)N1CCOCC1 ZINC001125104356 776027069 /nfs/dbraw/zinc/02/70/69/776027069.db2.gz XCHRKOBYTPJLAS-UHFFFAOYSA-N 0 3 296.327 -1.218 20 0 CAADHN O=C(C[C@@H]1CCOC1)NCCNCC(=O)N1CCOCC1 ZINC001125118210 776027563 /nfs/dbraw/zinc/02/75/63/776027563.db2.gz GHJHWNARZJPNAC-LBPRGKRZSA-N 0 3 299.371 -1.022 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CN(C)CCO1 ZINC001125214140 776027593 /nfs/dbraw/zinc/02/75/93/776027593.db2.gz PVNZDRCVAHMJNT-SECBINFHSA-N 0 3 258.322 -2.231 20 0 CAADHN O=C(Cc1cc[nH]n1)NCCN[C@H]1CCCNC1=O ZINC001125147692 776028057 /nfs/dbraw/zinc/02/80/57/776028057.db2.gz ZBUUEPQIJCZJCQ-JTQLQIEISA-N 0 3 265.317 -1.063 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CN(C)CCO1)C(N)=O ZINC001125203333 776028261 /nfs/dbraw/zinc/02/82/61/776028261.db2.gz LNVBMTDEYWZUDP-RKDXNWHRSA-N 0 3 258.322 -2.103 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccncc1F ZINC001125170332 776028303 /nfs/dbraw/zinc/02/83/03/776028303.db2.gz YKBABPXIWOYNPV-UHFFFAOYSA-N 0 3 297.290 -1.004 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CN(C)CCO1)C(N)=O ZINC001125221667 776029003 /nfs/dbraw/zinc/02/90/03/776029003.db2.gz RWVOGHNVMWVOLN-VHSXEESVSA-N 0 3 272.349 -1.713 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001125223316 776029082 /nfs/dbraw/zinc/02/90/82/776029082.db2.gz ZXGCTJXOKXYTIY-NXEZZACHSA-N 0 3 298.343 -2.172 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CN(C)CCO1 ZINC001125222797 776029749 /nfs/dbraw/zinc/02/97/49/776029749.db2.gz XLQFNWPSPFPUPO-SNVBAGLBSA-N 0 3 272.349 -1.841 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CN(C)CCO2)C1=O ZINC001125227505 776029948 /nfs/dbraw/zinc/02/99/48/776029948.db2.gz SRXOCPQIVDQIOV-WDEREUQCSA-N 0 3 284.360 -1.747 20 0 CAADHN CN1CCO[C@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)C1 ZINC001125220158 776029995 /nfs/dbraw/zinc/02/99/95/776029995.db2.gz CZRMKZJLHDFUDL-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125221450 776030166 /nfs/dbraw/zinc/03/01/66/776030166.db2.gz QICGNWXOJYHKME-UWVGGRQHSA-N 0 3 272.349 -1.843 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2CN(C)CCO2)C1=O ZINC001125220172 776030763 /nfs/dbraw/zinc/03/07/63/776030763.db2.gz DMMMNZQFMPQKFR-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)C1 ZINC001125220157 776031054 /nfs/dbraw/zinc/03/10/54/776031054.db2.gz CZRMKZJLHDFUDL-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001125221244 776031236 /nfs/dbraw/zinc/03/12/36/776031236.db2.gz OPQHTTANRCIRIY-NXEZZACHSA-N 0 3 270.333 -2.089 20 0 CAADHN CN1CCO[C@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001125223321 776031270 /nfs/dbraw/zinc/03/12/70/776031270.db2.gz ZXGCTJXOKXYTIY-UWVGGRQHSA-N 0 3 298.343 -2.172 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CN(C)CCO1)C(N)=O ZINC001125221666 776031355 /nfs/dbraw/zinc/03/13/55/776031355.db2.gz RWVOGHNVMWVOLN-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN CC[C@@H](C(=O)NCC1(NC(=O)CC(N)=O)CC1)N(C)C ZINC001299245546 776032779 /nfs/dbraw/zinc/03/27/79/776032779.db2.gz NKSZLSWCSKKYQH-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN CCn1ccc(CC(=O)NCCNCC(=O)NC)n1 ZINC001127721628 776033935 /nfs/dbraw/zinc/03/39/35/776033935.db2.gz YPOQJVQNUUPUTR-UHFFFAOYSA-N 0 3 267.333 -1.103 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127747888 776037803 /nfs/dbraw/zinc/03/78/03/776037803.db2.gz KLLWUZGSKFQHON-AUTRQRHGSA-N 0 3 255.318 -1.137 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127742904 776038355 /nfs/dbraw/zinc/03/83/55/776038355.db2.gz GOZSWLBPOFUILJ-CABZTGNLSA-N 0 3 255.318 -1.135 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127753503 776038890 /nfs/dbraw/zinc/03/88/90/776038890.db2.gz KMRHGUQRTCOZFU-RVBZMBCESA-N 0 3 298.343 -1.427 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127743155 776038904 /nfs/dbraw/zinc/03/89/04/776038904.db2.gz JCQFCKQIMAMWIE-CPCISQLKSA-N 0 3 270.289 -2.076 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127747889 776039257 /nfs/dbraw/zinc/03/92/57/776039257.db2.gz KLLWUZGSKFQHON-PTRXPTGYSA-N 0 3 255.318 -1.137 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]12C[C@H]1COC2)C(=O)NC(N)=O ZINC001127754128 776039387 /nfs/dbraw/zinc/03/93/87/776039387.db2.gz WUEQJNNSQRLCSI-LWINAJNOSA-N 0 3 284.316 -1.688 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127743288 776039444 /nfs/dbraw/zinc/03/94/44/776039444.db2.gz KBTRDJVYYZREOU-ZANVPECISA-N 0 3 298.343 -1.426 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001127765550 776040149 /nfs/dbraw/zinc/04/01/49/776040149.db2.gz LYDNJGSTVANEIR-UHFFFAOYSA-N 0 3 297.363 -1.164 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001127765918 776040834 /nfs/dbraw/zinc/04/08/34/776040834.db2.gz OVVIZGHROMHHOT-UHFFFAOYSA-N 0 3 297.363 -1.116 20 0 CAADHN O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077598743 776040976 /nfs/dbraw/zinc/04/09/76/776040976.db2.gz BLPCAEPHDNRPGL-GMTAPVOTSA-N 0 3 282.344 -1.371 20 0 CAADHN CN1CCC[C@@H]1c1cc(C(=O)NCCNCC(N)=O)[nH]n1 ZINC001127772171 776041378 /nfs/dbraw/zinc/04/13/78/776041378.db2.gz DXUPYLRJCFCFDW-LLVKDONJSA-N 0 3 294.359 -1.019 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001127766647 776041550 /nfs/dbraw/zinc/04/15/50/776041550.db2.gz XQUSHQXZMQAOFE-QMMMGPOBSA-N 0 3 297.363 -1.118 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001127766645 776041565 /nfs/dbraw/zinc/04/15/65/776041565.db2.gz XQUSHQXZMQAOFE-MRVPVSSYSA-N 0 3 297.363 -1.118 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083783956 776041731 /nfs/dbraw/zinc/04/17/31/776041731.db2.gz UMQYGNYVBZPVEH-RGOKHQFPSA-N 0 3 255.318 -1.323 20 0 CAADHN CNC(=O)CNCCNC(=O)c1nnn(C(C)(C)C)n1 ZINC001127765999 776041920 /nfs/dbraw/zinc/04/19/20/776041920.db2.gz SIMWCMHSWYSUOJ-UHFFFAOYSA-N 0 3 283.336 -1.507 20 0 CAADHN O=C(N[C@@H]1CN(CC2CCC2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077599367 776042852 /nfs/dbraw/zinc/04/28/52/776042852.db2.gz VYBYKXKVTVNFAY-GMTAPVOTSA-N 0 3 282.344 -1.371 20 0 CAADHN CC(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077600685 776042998 /nfs/dbraw/zinc/04/29/98/776042998.db2.gz UIOHXYHCDYLCOT-GMTAPVOTSA-N 0 3 284.360 -1.125 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077600274 776043280 /nfs/dbraw/zinc/04/32/80/776043280.db2.gz FNUPTTLFJGDCCL-DJLDLDEBSA-N 0 3 256.306 -1.763 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077600517 776043837 /nfs/dbraw/zinc/04/38/37/776043837.db2.gz OQFVIVHVKXCGSQ-OPRDCNLKSA-N 0 3 270.333 -1.515 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@H]1O ZINC001077606960 776048646 /nfs/dbraw/zinc/04/86/46/776048646.db2.gz LWGMVWNPZQSUCR-NXEZZACHSA-N 0 3 271.317 -1.940 20 0 CAADHN CN(C)C(=O)CN1CC[C@@]2(CNC(=O)C(N)=O)CCC[C@@H]12 ZINC001107527491 776048956 /nfs/dbraw/zinc/04/89/56/776048956.db2.gz HALXENSSZPGZRZ-QMTHXVAHSA-N 0 3 296.371 -1.079 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)N1CC[C@@H](O)[C@H](N)C1 ZINC001238958875 776050240 /nfs/dbraw/zinc/05/02/40/776050240.db2.gz ULKMDARZUBQWLL-RNFRBKRXSA-N 0 3 272.348 -2.288 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077686299 776058498 /nfs/dbraw/zinc/05/84/98/776058498.db2.gz GXXQFECZRCOOII-LMLFDSFASA-N 0 3 267.329 -1.321 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077681731 776058555 /nfs/dbraw/zinc/05/85/55/776058555.db2.gz MXWNBVBNNFPSKQ-UTINFBMNSA-N 0 3 255.318 -1.321 20 0 CAADHN C[C@H]1CCCN1CC(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001077675220 776058663 /nfs/dbraw/zinc/05/86/63/776058663.db2.gz GAVBPTKEMMQPLL-QJPTWQEYSA-N 0 3 271.361 -1.376 20 0 CAADHN COC(=O)[C@]1(N)CCN(S(=O)(=O)CCN)C1 ZINC001239129417 776059031 /nfs/dbraw/zinc/05/90/31/776059031.db2.gz NMEHWIVWLAAMKB-QMMMGPOBSA-N 0 3 251.308 -2.149 20 0 CAADHN NC(=O)NC(=O)CNC1(CNC(=O)C(N)=O)CCCCC1 ZINC001115701752 776059151 /nfs/dbraw/zinc/05/91/51/776059151.db2.gz DNENEWLRJXHWGE-UHFFFAOYSA-N 0 3 299.331 -1.925 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C1(C)CC1 ZINC001127850985 776060155 /nfs/dbraw/zinc/06/01/55/776060155.db2.gz QYIBSVRKDJTHFK-UHFFFAOYSA-N 0 3 256.306 -1.052 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NCCNCC(N)=O ZINC001127861962 776062247 /nfs/dbraw/zinc/06/22/47/776062247.db2.gz ZQWGIVIEJQUYGG-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NCCNCC(=O)NC ZINC001127860043 776062750 /nfs/dbraw/zinc/06/27/50/776062750.db2.gz NTYFAONVOCKVPL-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077754626 776065703 /nfs/dbraw/zinc/06/57/03/776065703.db2.gz KGPYWWYDZYDBDR-DJLDLDEBSA-N 0 3 284.316 -1.844 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077754466 776067026 /nfs/dbraw/zinc/06/70/26/776067026.db2.gz BPOZMUSLLSWGKK-DJLDLDEBSA-N 0 3 284.316 -1.846 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cc[nH]c1 ZINC001127908043 776068847 /nfs/dbraw/zinc/06/88/47/776068847.db2.gz KLSCWCXGEJLGMS-UHFFFAOYSA-N 0 3 253.262 -1.471 20 0 CAADHN C[C@H](NCCNC(=O)c1cc[nH]c1)C(=O)NC(N)=O ZINC001127921565 776070572 /nfs/dbraw/zinc/07/05/72/776070572.db2.gz HPOKXXYIKLAYJO-ZETCQYMHSA-N 0 3 267.289 -1.083 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc[nH]c1)C(=O)NC(N)=O ZINC001127921564 776070592 /nfs/dbraw/zinc/07/05/92/776070592.db2.gz HPOKXXYIKLAYJO-SSDOTTSWSA-N 0 3 267.289 -1.083 20 0 CAADHN O=C(CNC(=O)C1CCCC1)NCCN[C@H]1CCNC1=O ZINC001127941233 776071460 /nfs/dbraw/zinc/07/14/60/776071460.db2.gz QQDSCPYPPOMFKD-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)c1ccoc1)C(N)=O ZINC001127952734 776073113 /nfs/dbraw/zinc/07/31/13/776073113.db2.gz YTBDUWJEZJHUPG-QMMMGPOBSA-N 0 3 282.300 -1.411 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)c1ccoc1C ZINC001127956739 776073234 /nfs/dbraw/zinc/07/32/34/776073234.db2.gz HDPJESJADZGKMS-UHFFFAOYSA-N 0 3 296.327 -1.230 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001127947442 776073307 /nfs/dbraw/zinc/07/33/07/776073307.db2.gz VYWHQBGBGQROEH-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@H](CC)C(N)=O ZINC001127952719 776073413 /nfs/dbraw/zinc/07/34/13/776073413.db2.gz YPXIMCVJEHAYCM-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001127946211 776073470 /nfs/dbraw/zinc/07/34/70/776073470.db2.gz HYSKZQXIRYDACS-YUMQZZPRSA-N 0 3 258.322 -1.519 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001127951973 776073610 /nfs/dbraw/zinc/07/36/10/776073610.db2.gz OJRMXHFAVIGECU-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)NCCNCc1cncn1C ZINC001127967970 776073692 /nfs/dbraw/zinc/07/36/92/776073692.db2.gz SJUDJNIAHVBOHE-JTQLQIEISA-N 0 3 297.359 -1.223 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)NCCNCc1cnn(C)c1 ZINC001127968264 776073769 /nfs/dbraw/zinc/07/37/69/776073769.db2.gz XSMQENAJUDZMTO-JTQLQIEISA-N 0 3 297.359 -1.223 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCNCC(=O)N(C)C ZINC001127946650 776073943 /nfs/dbraw/zinc/07/39/43/776073943.db2.gz MVYHKWKMRQUGQC-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)NCCNCc1ccnn1C ZINC001127968337 776074075 /nfs/dbraw/zinc/07/40/75/776074075.db2.gz ZJTFTYXBGFZAHG-SNVBAGLBSA-N 0 3 297.359 -1.223 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001127947444 776074112 /nfs/dbraw/zinc/07/41/12/776074112.db2.gz VYWHQBGBGQROEH-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](C)NC(=O)COC ZINC001127972611 776075046 /nfs/dbraw/zinc/07/50/46/776075046.db2.gz AGCKDHONRNGNBL-VIFPVBQESA-N 0 3 288.348 -2.021 20 0 CAADHN C[C@H](NC(=O)C1CCCC1)C(=O)NCCNCC(N)=O ZINC001127974688 776075457 /nfs/dbraw/zinc/07/54/57/776075457.db2.gz ZAEHCICYMBHRLY-VIFPVBQESA-N 0 3 284.360 -1.128 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)NCCNCC(=O)N(C)C ZINC001127973211 776075538 /nfs/dbraw/zinc/07/55/38/776075538.db2.gz ISWJFHFGUYBZED-VIFPVBQESA-N 0 3 288.348 -2.069 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)NC(=O)COC ZINC001127966881 776075697 /nfs/dbraw/zinc/07/56/97/776075697.db2.gz GTUOYTRCOXUQBX-QMMMGPOBSA-N 0 3 274.321 -2.411 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](C)NC(=O)CC ZINC001127984960 776076502 /nfs/dbraw/zinc/07/65/02/776076502.db2.gz JABYTNIRKHWLFY-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCNCC(=O)N1CCC1 ZINC001127979272 776076714 /nfs/dbraw/zinc/07/67/14/776076714.db2.gz QDWQMZNNWLOVEZ-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CC[C@@H](NCCNC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001128105321 776104273 /nfs/dbraw/zinc/10/42/73/776104273.db2.gz XBYLXFBJSTYYIT-MRVPVSSYSA-N 0 3 277.346 -1.999 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](C)NC(=O)COC ZINC001127999844 776080023 /nfs/dbraw/zinc/08/00/23/776080023.db2.gz ZBWOSXVSMFFSIU-IUCAKERBSA-N 0 3 288.348 -2.022 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H](C)NC(=O)COC)C(N)=O ZINC001127999632 776080166 /nfs/dbraw/zinc/08/01/66/776080166.db2.gz SMZHAIBPGSYZCA-IUCAKERBSA-N 0 3 288.348 -1.893 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)NCCN[C@H](C)C(N)=O ZINC001127994532 776080420 /nfs/dbraw/zinc/08/04/20/776080420.db2.gz UWTQRIDLVKUIHH-HTQZYQBOSA-N 0 3 274.321 -2.283 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)NC(=O)COC ZINC001127999845 776080556 /nfs/dbraw/zinc/08/05/56/776080556.db2.gz ZBWOSXVSMFFSIU-RKDXNWHRSA-N 0 3 288.348 -2.022 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001127994538 776080807 /nfs/dbraw/zinc/08/08/07/776080807.db2.gz UWTQRIDLVKUIHH-YUMQZZPRSA-N 0 3 274.321 -2.283 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001127992388 776081200 /nfs/dbraw/zinc/08/12/00/776081200.db2.gz CXLKLAFMCMGMEW-RKDXNWHRSA-N 0 3 286.332 -2.268 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001128018310 776083431 /nfs/dbraw/zinc/08/34/31/776083431.db2.gz HGMDSSUTRCMVHC-NSHDSACASA-N 0 3 296.371 -1.174 20 0 CAADHN CC[C@H](C(=O)N[C@@H](C)CCNC(=O)C(N)=O)N(C)C ZINC001078115907 776121036 /nfs/dbraw/zinc/12/10/36/776121036.db2.gz ATSQVQJIIDOTFW-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN CC(C)(C)n1nnc(CC(=O)NCCNCC(N)=O)n1 ZINC001128044509 776088480 /nfs/dbraw/zinc/08/84/80/776088480.db2.gz SDRDOAVBPRQZRQ-UHFFFAOYSA-N 0 3 283.336 -1.838 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)n1 ZINC001077833658 776089217 /nfs/dbraw/zinc/08/92/17/776089217.db2.gz UZCIBIPQYZKITE-YUSALJHKSA-N 0 3 295.343 -1.374 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001128065495 776091916 /nfs/dbraw/zinc/09/19/16/776091916.db2.gz KMQZOXMTVNJSJF-UHFFFAOYSA-N 0 3 276.296 -1.014 20 0 CAADHN CO[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001077861431 776092640 /nfs/dbraw/zinc/09/26/40/776092640.db2.gz GTTHGJXSVIHMRU-IWSPIJDZSA-N 0 3 269.305 -1.386 20 0 CAADHN O=C(N[C@@H]1CN(CCCF)C[C@H]1O)c1nnc[nH]1 ZINC001077863578 776093038 /nfs/dbraw/zinc/09/30/38/776093038.db2.gz GZRGJNZMVOYHMS-HTQZYQBOSA-N 0 3 257.269 -1.061 20 0 CAADHN Cn1cncc1CN1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001077862600 776093390 /nfs/dbraw/zinc/09/33/90/776093390.db2.gz JCSGTMYLFIEQNN-NXEZZACHSA-N 0 3 291.315 -1.487 20 0 CAADHN C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001077861880 776094208 /nfs/dbraw/zinc/09/42/08/776094208.db2.gz ZQIJCMTTZLUQSI-BWZBUEFSSA-N 0 3 255.278 -2.040 20 0 CAADHN C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001077861880 776094210 /nfs/dbraw/zinc/09/42/10/776094210.db2.gz ZQIJCMTTZLUQSI-BWZBUEFSSA-N 0 3 255.278 -2.040 20 0 CAADHN C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001077861880 776094213 /nfs/dbraw/zinc/09/42/13/776094213.db2.gz ZQIJCMTTZLUQSI-BWZBUEFSSA-N 0 3 255.278 -2.040 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077852225 776095988 /nfs/dbraw/zinc/09/59/88/776095988.db2.gz XYNZRZRKXSGXOC-NXEZZACHSA-N 0 3 296.327 -1.891 20 0 CAADHN C[C@H](NCCNC(=O)C1CS(=O)(=O)C1)C(=O)N(C)C ZINC001128104047 776102365 /nfs/dbraw/zinc/10/23/65/776102365.db2.gz FIVYUVQBUYDGGY-QMMMGPOBSA-N 0 3 291.373 -1.787 20 0 CAADHN C[C@@H](NCCNC(=O)C1CS(=O)(=O)C1)C(=O)N(C)C ZINC001128104044 776102533 /nfs/dbraw/zinc/10/25/33/776102533.db2.gz FIVYUVQBUYDGGY-MRVPVSSYSA-N 0 3 291.373 -1.787 20 0 CAADHN C[C@@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)N(C)C ZINC001116525348 776105466 /nfs/dbraw/zinc/10/54/66/776105466.db2.gz IGDIUFSIBUKIOZ-YUMQZZPRSA-N 0 3 294.377 -2.154 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001077953512 776105996 /nfs/dbraw/zinc/10/59/96/776105996.db2.gz FPSWHVIIQOVAGZ-NXEZZACHSA-N 0 3 298.343 -1.500 20 0 CAADHN NC(=O)C(=O)N[C@H]1CN(CCCO)CC2(CCOCC2)C1 ZINC001089956657 776107188 /nfs/dbraw/zinc/10/71/88/776107188.db2.gz OEWQUGYQDZUAJF-LLVKDONJSA-N 0 3 299.371 -1.159 20 0 CAADHN COC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976543 776107268 /nfs/dbraw/zinc/10/72/68/776107268.db2.gz JSKIDCIUIJLNRC-OPRDCNLKSA-N 0 3 283.332 -1.457 20 0 CAADHN O=C(Cc1nnc[nH]1)N[C@@H]1CN(CCO)C[C@H]1O ZINC001077976580 776107446 /nfs/dbraw/zinc/10/74/46/776107446.db2.gz LGRLDHWVNVODEO-HTQZYQBOSA-N 0 3 255.278 -2.499 20 0 CAADHN CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001077976384 776107583 /nfs/dbraw/zinc/10/75/83/776107583.db2.gz IBSJNSXVONKFPT-RKDXNWHRSA-N 0 3 253.306 -1.083 20 0 CAADHN CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001077976384 776107588 /nfs/dbraw/zinc/10/75/88/776107588.db2.gz IBSJNSXVONKFPT-RKDXNWHRSA-N 0 3 253.306 -1.083 20 0 CAADHN CO[C@@H](C)CN1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976784 776107841 /nfs/dbraw/zinc/10/78/41/776107841.db2.gz VMYZUMCBJMWVCE-IVZWLZJFSA-N 0 3 283.332 -1.457 20 0 CAADHN C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976121 776107897 /nfs/dbraw/zinc/10/78/97/776107897.db2.gz CGSSKHPLTKDBQL-DJLDLDEBSA-N 0 3 269.305 -2.111 20 0 CAADHN O=C(Cc1nc[nH]n1)N[C@@H]1CN(CCCF)C[C@H]1O ZINC001077976591 776108169 /nfs/dbraw/zinc/10/81/69/776108169.db2.gz LXIAQZBNFVOMMR-RKDXNWHRSA-N 0 3 271.296 -1.132 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1O ZINC001078081446 776116298 /nfs/dbraw/zinc/11/62/98/776116298.db2.gz WRWIYRMLVGACGQ-FBIMIBRVSA-N 0 3 295.343 -1.704 20 0 CAADHN C[C@@H](CCNC(=O)C(N)=O)NC(=O)CN1CCC[C@H]1C ZINC001078118081 776122176 /nfs/dbraw/zinc/12/21/76/776122176.db2.gz CWEACGLYIOOWFJ-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@@H](C1CC1)N(C)C ZINC001078118565 776122277 /nfs/dbraw/zinc/12/22/77/776122277.db2.gz YAXGQQJSTFIYLC-WCBMZHEXSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CCNC(=O)C(N)=O)NC(=O)CN1CCC[C@@H]1C ZINC001078118080 776122536 /nfs/dbraw/zinc/12/25/36/776122536.db2.gz CWEACGLYIOOWFJ-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CCNC(=O)C(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001078119205 776122746 /nfs/dbraw/zinc/12/27/46/776122746.db2.gz FYJIUVFGPMTGAZ-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CCNC(=O)C(N)=O)NC(=O)[C@H](C1CC1)N(C)C ZINC001078118566 776122902 /nfs/dbraw/zinc/12/29/02/776122902.db2.gz YAXGQQJSTFIYLC-WPRPVWTQSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CCNC(=O)C(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001078119206 776123098 /nfs/dbraw/zinc/12/30/98/776123098.db2.gz FYJIUVFGPMTGAZ-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078140924 776125796 /nfs/dbraw/zinc/12/57/96/776125796.db2.gz DWXUBRPYLLDGBU-NXEZZACHSA-N 0 3 253.306 -1.152 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001078150804 776125959 /nfs/dbraw/zinc/12/59/59/776125959.db2.gz RJRONXSNCUNNKT-GHMZBOCLSA-N 0 3 295.339 -1.293 20 0 CAADHN Cn1nc(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)ccc1=O ZINC001078134417 776126731 /nfs/dbraw/zinc/12/67/31/776126731.db2.gz YFXXQVMMIFWDIX-VXGBXAGGSA-N 0 3 292.339 -1.035 20 0 CAADHN COCCN1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001078179199 776127341 /nfs/dbraw/zinc/12/73/41/776127341.db2.gz YUIKAXKKYKQQBN-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078146617 776127899 /nfs/dbraw/zinc/12/78/99/776127899.db2.gz QSLDEWMMNFTNGG-NXEZZACHSA-N 0 3 298.343 -1.500 20 0 CAADHN O=C(CN1CCCC1)N[C@@H]1CN(CCO)C[C@H]1O ZINC001078180015 776128089 /nfs/dbraw/zinc/12/80/89/776128089.db2.gz JBSZBSUOWBONSY-GHMZBOCLSA-N 0 3 257.334 -1.764 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001078144397 776128504 /nfs/dbraw/zinc/12/85/04/776128504.db2.gz MTXQRIWDYFNPKL-NXEZZACHSA-N 0 3 298.343 -1.550 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001078167938 776129819 /nfs/dbraw/zinc/12/98/19/776129819.db2.gz XOAASPKSORTYMP-NXEZZACHSA-N 0 3 296.327 -1.331 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001078199731 776131977 /nfs/dbraw/zinc/13/19/77/776131977.db2.gz UHEMBNNGOURGAY-FRRDWIJNSA-N 0 3 299.371 -1.197 20 0 CAADHN CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001078205749 776133363 /nfs/dbraw/zinc/13/33/63/776133363.db2.gz BETIWNMTJIAHMI-UTUOFQBUSA-N 0 3 271.361 -1.112 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C(C)=O)C1 ZINC001078199704 776133644 /nfs/dbraw/zinc/13/36/44/776133644.db2.gz SLYDLTBUZASXQC-JHJVBQTASA-N 0 3 299.371 -1.195 20 0 CAADHN COCC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001078302384 776136683 /nfs/dbraw/zinc/13/66/83/776136683.db2.gz HJSPQQGJEFYVJW-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001078289677 776137466 /nfs/dbraw/zinc/13/74/66/776137466.db2.gz YWCZZJNDFQKGAG-HBNTYKKESA-N 0 3 295.339 -1.390 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001078289676 776138379 /nfs/dbraw/zinc/13/83/79/776138379.db2.gz YWCZZJNDFQKGAG-GMTAPVOTSA-N 0 3 295.339 -1.390 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099635462 776139691 /nfs/dbraw/zinc/13/96/91/776139691.db2.gz DREIPNGZGNHTEU-GHMZBOCLSA-N 0 3 273.333 -1.944 20 0 CAADHN CN1CC[C@H](NC[C@H]2CN(C(=O)C(N)=O)CCCO2)C1=O ZINC001078458730 776140582 /nfs/dbraw/zinc/14/05/82/776140582.db2.gz PLTJECGLOLGROX-UWVGGRQHSA-N 0 3 298.343 -2.091 20 0 CAADHN Cn1cc(CNC[C@H]2CN(C(=O)C(N)=O)CCCO2)cn1 ZINC001078457413 776140614 /nfs/dbraw/zinc/14/06/14/776140614.db2.gz WHOCSVOXVWOAHI-NSHDSACASA-N 0 3 295.343 -1.388 20 0 CAADHN NC(=O)C(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001078456720 776140688 /nfs/dbraw/zinc/14/06/88/776140688.db2.gz GCJYWPYKXUFMDB-BDAKNGLRSA-N 0 3 284.316 -2.433 20 0 CAADHN Cn1cc(CNC[C@@H]2CN(C(=O)C(N)=O)CCCO2)cn1 ZINC001078457412 776140857 /nfs/dbraw/zinc/14/08/57/776140857.db2.gz WHOCSVOXVWOAHI-LLVKDONJSA-N 0 3 295.343 -1.388 20 0 CAADHN Cn1nccc1CNC[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001078457505 776140995 /nfs/dbraw/zinc/14/09/95/776140995.db2.gz YKCBJRPRWUMIOX-NSHDSACASA-N 0 3 295.343 -1.388 20 0 CAADHN CN1CC[C@H](NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)C1=O ZINC001078458732 776141530 /nfs/dbraw/zinc/14/15/30/776141530.db2.gz PLTJECGLOLGROX-ZJUUUORDSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)NC(=O)C(N)=O ZINC001078472991 776141703 /nfs/dbraw/zinc/14/17/03/776141703.db2.gz MXNOPXHZWXBTPI-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN NC(=O)C(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001078456723 776141777 /nfs/dbraw/zinc/14/17/77/776141777.db2.gz GCJYWPYKXUFMDB-RKDXNWHRSA-N 0 3 284.316 -2.433 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001078713878 776144767 /nfs/dbraw/zinc/14/47/67/776144767.db2.gz TXONZHBLEYQKFZ-VHSXEESVSA-N 0 3 292.343 -1.183 20 0 CAADHN NC(=O)C[NH2+][C@@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C12CCC2 ZINC001078778278 776147112 /nfs/dbraw/zinc/14/71/12/776147112.db2.gz ZUPQKCSNMRFOGF-RKDXNWHRSA-N 0 3 292.343 -1.151 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1NCC(=O)N1CCC1 ZINC001054486624 776148204 /nfs/dbraw/zinc/14/82/04/776148204.db2.gz ASJOPVZRDBEFPP-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN COCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001054304149 776148425 /nfs/dbraw/zinc/14/84/25/776148425.db2.gz VPTZVZFREBHQRW-VXGBXAGGSA-N 0 3 299.371 -1.072 20 0 CAADHN COCC(=O)N1C[C@H](NCC(=O)N2CCOCC2)[C@@H](C)C1 ZINC001054304148 776148742 /nfs/dbraw/zinc/14/87/42/776148742.db2.gz VPTZVZFREBHQRW-RYUDHWBXSA-N 0 3 299.371 -1.072 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCCN1C(=O)CC(N)=O ZINC001272944280 776149562 /nfs/dbraw/zinc/14/95/62/776149562.db2.gz DZCVRFSYDORGEZ-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCCN1C(=O)CC(N)=O ZINC001272944230 776149741 /nfs/dbraw/zinc/14/97/41/776149741.db2.gz DZCVRFSYDORGEZ-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cccn2nnnc12 ZINC001128199664 776152225 /nfs/dbraw/zinc/15/22/25/776152225.db2.gz MMUZPGBVLGNEIL-MRVPVSSYSA-N 0 3 291.315 -1.422 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cccn2nnnc12 ZINC001128199025 776152953 /nfs/dbraw/zinc/15/29/53/776152953.db2.gz AAOOEEBYLGUDFN-VIFPVBQESA-N 0 3 289.299 -1.668 20 0 CAADHN Cc1cc(C(=O)NCCNCC(N)=O)c(C)nn1 ZINC001128263964 776153412 /nfs/dbraw/zinc/15/34/12/776153412.db2.gz KZZOFUQJLXITEI-UHFFFAOYSA-N 0 3 251.290 -1.102 20 0 CAADHN O=C(CNCCNC(=O)Cn1nccn1)NC1CC1 ZINC001128269651 776155020 /nfs/dbraw/zinc/15/50/20/776155020.db2.gz OEXPSIPOMCKXDT-UHFFFAOYSA-N 0 3 266.305 -1.738 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)Cn1nccn1 ZINC001128269672 776155189 /nfs/dbraw/zinc/15/51/89/776155189.db2.gz PCTZFKZLYMCAFR-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN O=C(Cn1nccn1)NCCN[C@H]1CCCNC1=O ZINC001128269714 776155391 /nfs/dbraw/zinc/15/53/91/776155391.db2.gz RESPXSISLQOVQW-VIFPVBQESA-N 0 3 266.305 -1.738 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128269710 776156076 /nfs/dbraw/zinc/15/60/76/776156076.db2.gz RCNNMSCKVVCOKV-UHFFFAOYSA-N 0 3 269.265 -2.821 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128268768 776157267 /nfs/dbraw/zinc/15/72/67/776157267.db2.gz DNGGXGIPFSXMRG-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128268770 776157463 /nfs/dbraw/zinc/15/74/63/776157463.db2.gz DNGGXGIPFSXMRG-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)Cn1nccn1)C1CC1 ZINC001128277899 776157613 /nfs/dbraw/zinc/15/76/13/776157613.db2.gz DGEGNSCCXZEZBY-SNVBAGLBSA-N 0 3 294.359 -1.101 20 0 CAADHN C[C@H](NCCNC(=O)Cn1nccn1)C(=O)NC(N)=O ZINC001128278339 776157640 /nfs/dbraw/zinc/15/76/40/776157640.db2.gz FKVJMBGYDYDQFN-ZETCQYMHSA-N 0 3 283.292 -2.433 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)Cn2nccn2)C1=O ZINC001128273773 776158084 /nfs/dbraw/zinc/15/80/84/776158084.db2.gz UTJRVGLDSDZPMR-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN C[C@H](NCCNC(=O)Cn1nccn1)C(=O)N(C)C ZINC001128273946 776158118 /nfs/dbraw/zinc/15/81/18/776158118.db2.gz XJGMODWPKIFTPT-VIFPVBQESA-N 0 3 268.321 -1.539 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1nccn1)C(N)=O ZINC001128273628 776158393 /nfs/dbraw/zinc/15/83/93/776158393.db2.gz RFAZJTJWRXWWOE-QMMMGPOBSA-N 0 3 254.294 -1.752 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1nccn1 ZINC001128273665 776158915 /nfs/dbraw/zinc/15/89/15/776158915.db2.gz RZHRUKVASCCXQL-QMMMGPOBSA-N 0 3 254.294 -1.882 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1nccn1)C(=O)NC(N)=O ZINC001128278333 776158995 /nfs/dbraw/zinc/15/89/95/776158995.db2.gz FKVJMBGYDYDQFN-SSDOTTSWSA-N 0 3 283.292 -2.433 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)Cn2nccn2)C1=O ZINC001128273774 776159055 /nfs/dbraw/zinc/15/90/55/776159055.db2.gz UTJRVGLDSDZPMR-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN O=C(Cn1nccn1)NCCN[C@H]1CCC(=O)NC1=O ZINC001128273979 776159119 /nfs/dbraw/zinc/15/91/19/776159119.db2.gz YGLKOVRZEHYOSY-QMMMGPOBSA-N 0 3 280.288 -2.211 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1nccn1)C(=O)N(C)C ZINC001128273945 776159132 /nfs/dbraw/zinc/15/91/32/776159132.db2.gz XJGMODWPKIFTPT-SECBINFHSA-N 0 3 268.321 -1.539 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C ZINC001214507959 776163865 /nfs/dbraw/zinc/16/38/65/776163865.db2.gz AFQBMJRZWOCYCK-KXUCPTDWSA-N 0 3 299.375 -1.384 20 0 CAADHN CCCn1nccc1C(=O)NCCNCC(=O)NC(N)=O ZINC001128320783 776164253 /nfs/dbraw/zinc/16/42/53/776164253.db2.gz ARXOSQMYPQQSBB-UHFFFAOYSA-N 0 3 296.331 -1.193 20 0 CAADHN Cc1c(CCC(=O)NCCNCC(N)=O)cnn1C ZINC001128362621 776165213 /nfs/dbraw/zinc/16/52/13/776165213.db2.gz XAZSHPMYBSBIHV-UHFFFAOYSA-N 0 3 267.333 -1.148 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C ZINC001214511819 776165317 /nfs/dbraw/zinc/16/53/17/776165317.db2.gz GJQLFNMWMGZZHJ-GHMZBOCLSA-N 0 3 294.359 -1.149 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](NC(=O)c2cn[nH]n2)[C@H](OC)C1 ZINC001212503026 776167176 /nfs/dbraw/zinc/16/71/76/776167176.db2.gz VFZNRCWZPGPDGC-JMJZKYOTSA-N 0 3 299.331 -1.759 20 0 CAADHN C[C@H](NCCNC(=O)CCc1ccncn1)C(N)=O ZINC001128428858 776168296 /nfs/dbraw/zinc/16/82/96/776168296.db2.gz XXUZQMWOAXORBS-VIFPVBQESA-N 0 3 265.317 -1.011 20 0 CAADHN CCOCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099648338 776168543 /nfs/dbraw/zinc/16/85/43/776168543.db2.gz RDHGSJSGUYVXJR-MNOVXSKESA-N 0 3 260.334 -1.043 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCN[C@H](C)C(=O)NC ZINC001128600835 776198052 /nfs/dbraw/zinc/19/80/52/776198052.db2.gz FYILDXQEGINBMK-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN Cn1ccc(CCC(=O)NCCNCC(N)=O)n1 ZINC001128464710 776170438 /nfs/dbraw/zinc/17/04/38/776170438.db2.gz RZPIGNGLWJBLEG-UHFFFAOYSA-N 0 3 253.306 -1.456 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1ccn(C)n1 ZINC001128464693 776170671 /nfs/dbraw/zinc/17/06/71/776170671.db2.gz RWTODFYBIZSKOH-UHFFFAOYSA-N 0 3 267.333 -1.196 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001143135428 776170845 /nfs/dbraw/zinc/17/08/45/776170845.db2.gz XEISVVBFPHPENF-SECBINFHSA-N 0 3 255.318 -1.162 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H]1CCCCN1C(=O)C(N)=O ZINC001272993977 776171724 /nfs/dbraw/zinc/17/17/24/776171724.db2.gz SPEQJPQCWKSGLV-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN C[C@H](NCCNC(=O)CCc1ccn(C)n1)C(N)=O ZINC001128468884 776172416 /nfs/dbraw/zinc/17/24/16/776172416.db2.gz MFGDGJQZMMGINS-VIFPVBQESA-N 0 3 267.333 -1.068 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN(C)S(C)(=O)=O ZINC001128603414 776199784 /nfs/dbraw/zinc/19/97/84/776199784.db2.gz HRLMLMMQSIIAEQ-UHFFFAOYSA-N 0 3 294.377 -2.328 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN(C)S(C)(=O)=O ZINC001128603945 776199793 /nfs/dbraw/zinc/19/97/93/776199793.db2.gz QDULRMGFMDOLCG-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099650394 776174184 /nfs/dbraw/zinc/17/41/84/776174184.db2.gz DEKAVJIRRWAVKO-NXEZZACHSA-N 0 3 288.348 -1.757 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001090048856 776174917 /nfs/dbraw/zinc/17/49/17/776174917.db2.gz DIQRUPKQIWLGHB-MWLCHTKSSA-N 0 3 296.327 -1.270 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001083820397 776175321 /nfs/dbraw/zinc/17/53/21/776175321.db2.gz KGPYWWYDZYDBDR-YIZRAAEISA-N 0 3 284.316 -1.844 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001083820263 776175859 /nfs/dbraw/zinc/17/58/59/776175859.db2.gz BPOZMUSLLSWGKK-YIZRAAEISA-N 0 3 284.316 -1.846 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055385 776176453 /nfs/dbraw/zinc/17/64/53/776176453.db2.gz RQNCYQRTKSKIHN-IUCAKERBSA-N 0 3 254.294 -1.756 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055545 776176571 /nfs/dbraw/zinc/17/65/71/776176571.db2.gz USASKGLIRTZOTP-VHSXEESVSA-N 0 3 284.320 -2.129 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055543 776176712 /nfs/dbraw/zinc/17/67/12/776176712.db2.gz USASKGLIRTZOTP-NXEZZACHSA-N 0 3 284.320 -2.129 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055544 776177276 /nfs/dbraw/zinc/17/72/76/776177276.db2.gz USASKGLIRTZOTP-UWVGGRQHSA-N 0 3 284.320 -2.129 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090055273 776177368 /nfs/dbraw/zinc/17/73/68/776177368.db2.gz QNRGDTHAIDBVCF-NXEZZACHSA-N 0 3 284.320 -2.393 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055383 776177516 /nfs/dbraw/zinc/17/75/16/776177516.db2.gz RQNCYQRTKSKIHN-BDAKNGLRSA-N 0 3 254.294 -1.756 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)c1cc[n+]([O-])cc1 ZINC001090053190 776177697 /nfs/dbraw/zinc/17/76/97/776177697.db2.gz YVYSYHXVRCBLRM-OLZOCXBDSA-N 0 3 295.339 -1.133 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)cn1 ZINC001090059377 776178953 /nfs/dbraw/zinc/17/89/53/776178953.db2.gz GFMNQPAXUHVVOS-VXGBXAGGSA-N 0 3 282.344 -1.033 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001090059447 776179532 /nfs/dbraw/zinc/17/95/32/776179532.db2.gz XFKPEZMJBGBCLE-ZJUUUORDSA-N 0 3 286.311 -1.416 20 0 CAADHN O=C(Cn1cccn1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090080931 776182052 /nfs/dbraw/zinc/18/20/52/776182052.db2.gz YMDPCQJTRNOJTK-RYUDHWBXSA-N 0 3 282.344 -1.183 20 0 CAADHN C[C@@H](NCCCNC(=O)c1nnc[nH]1)c1nnnn1C ZINC001168730951 776184187 /nfs/dbraw/zinc/18/41/87/776184187.db2.gz BLXAKNWGMKCBDO-SSDOTTSWSA-N 0 3 279.308 -1.201 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@H]1O)c1ccn[nH]1 ZINC001090100911 776185428 /nfs/dbraw/zinc/18/54/28/776185428.db2.gz UXIRGNMWKFBBGV-GXSJLCMTSA-N 0 3 268.317 -1.043 20 0 CAADHN Cn1cc(CNCCCNC(=O)c2nnc[nH]2)nn1 ZINC001168731397 776185604 /nfs/dbraw/zinc/18/56/04/776185604.db2.gz JTGQAWNLUJZDIA-UHFFFAOYSA-N 0 3 264.293 -1.157 20 0 CAADHN C[C@H](CC[NH2+]CC(=O)N(C)C)NC(=O)Cc1nnc[n-]1 ZINC001273113386 776193638 /nfs/dbraw/zinc/19/36/38/776193638.db2.gz UBYIVLXKLHDCLR-SECBINFHSA-N 0 3 282.348 -1.080 20 0 CAADHN COC[C@H](CCNS(=O)(=O)N1CCNCC1)OC ZINC000694297351 776197737 /nfs/dbraw/zinc/19/77/37/776197737.db2.gz OPKSDAXOCUSEMS-JTQLQIEISA-N 0 3 281.378 -1.223 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN(C)C(=O)C(C)C ZINC001128590585 776197905 /nfs/dbraw/zinc/19/79/05/776197905.db2.gz PKVXOHLHIBDGTO-UHFFFAOYSA-N 0 3 286.376 -1.057 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001128600836 776197935 /nfs/dbraw/zinc/19/79/35/776197935.db2.gz FYILDXQEGINBMK-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN CC(C)C(=O)N(C)CC(=O)NCCN[C@@H](C)C(N)=O ZINC001128590190 776198172 /nfs/dbraw/zinc/19/81/72/776198172.db2.gz CCBQIGDQXPPDTO-VIFPVBQESA-N 0 3 272.349 -1.320 20 0 CAADHN Cn1nccc1C(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090134208 776198288 /nfs/dbraw/zinc/19/82/88/776198288.db2.gz MVAOMQQPEYKVQS-JQWIXIFHSA-N 0 3 282.344 -1.033 20 0 CAADHN CC(C)C(=O)N(C)CC(=O)NCCNCC(N)=O ZINC001128590310 776198389 /nfs/dbraw/zinc/19/83/89/776198389.db2.gz HMHFRTCTQLNRAE-UHFFFAOYSA-N 0 3 258.322 -1.708 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN(C)S(C)(=O)=O ZINC001128603944 776198879 /nfs/dbraw/zinc/19/88/79/776198879.db2.gz QDULRMGFMDOLCG-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCNCC(=O)N(C)C ZINC001128594380 776199062 /nfs/dbraw/zinc/19/90/62/776199062.db2.gz DWWXQEWWTFZMQE-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN CN(CC(=O)NCCNCCF)S(C)(=O)=O ZINC001128603880 776199413 /nfs/dbraw/zinc/19/94/13/776199413.db2.gz PCYRTKRPDZFSGL-UHFFFAOYSA-N 0 3 255.315 -1.447 20 0 CAADHN Cn1cc(CC(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)cn1 ZINC001090136318 776199456 /nfs/dbraw/zinc/19/94/56/776199456.db2.gz DKGBFHZDYSBEHB-OLZOCXBDSA-N 0 3 296.371 -1.104 20 0 CAADHN CS(=O)(=O)NCCC(=O)NCCN[C@H]1CCNC1=O ZINC001128603337 776199547 /nfs/dbraw/zinc/19/95/47/776199547.db2.gz FYRKIEKIDNPLTK-QMMMGPOBSA-N 0 3 292.361 -2.480 20 0 CAADHN CN(CC(=O)NCCN[C@H]1CCNC1=O)S(C)(=O)=O ZINC001128603269 776199646 /nfs/dbraw/zinc/19/96/46/776199646.db2.gz DWRVIHXHXJDFLM-QMMMGPOBSA-N 0 3 292.361 -2.528 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNS(=O)(=O)CC ZINC001128594765 776199686 /nfs/dbraw/zinc/19/96/86/776199686.db2.gz MHRITADXVZOOBS-UHFFFAOYSA-N 0 3 294.377 -2.232 20 0 CAADHN CS(=O)(=O)NCCC(=O)NCCNCC(N)=O ZINC001128604236 776199729 /nfs/dbraw/zinc/19/97/29/776199729.db2.gz SMZIRYFCMZCLAV-UHFFFAOYSA-N 0 3 266.323 -2.883 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN(C)C(=O)COC ZINC001128619023 776200229 /nfs/dbraw/zinc/20/02/29/776200229.db2.gz JYYGBTCCRRZILY-UHFFFAOYSA-N 0 3 288.348 -2.067 20 0 CAADHN CN(CC(=O)NCCNCC(N)=O)C(=O)C1CC1 ZINC001128613875 776200276 /nfs/dbraw/zinc/20/02/76/776200276.db2.gz KCZAEJVXUDQLER-UHFFFAOYSA-N 0 3 256.306 -1.954 20 0 CAADHN CN(CC(=O)NCCNCC(=O)N1CCC1)C(=O)C1CC1 ZINC001128614083 776200429 /nfs/dbraw/zinc/20/04/29/776200429.db2.gz NJZDNWNNHTXTRZ-UHFFFAOYSA-N 0 3 296.371 -1.207 20 0 CAADHN CN(CC(=O)NCCNCC(=O)NC(N)=O)C(=O)C1CC1 ZINC001128614438 776200646 /nfs/dbraw/zinc/20/06/46/776200646.db2.gz UOIPLSZWMHHTKM-UHFFFAOYSA-N 0 3 299.331 -2.245 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN(C)C(=O)C1CC1 ZINC001128614118 776200830 /nfs/dbraw/zinc/20/08/30/776200830.db2.gz OISDVHLFNBRYSU-UHFFFAOYSA-N 0 3 284.360 -1.351 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCNCc1cnn(C)c1 ZINC001128618889 776200851 /nfs/dbraw/zinc/20/08/51/776200851.db2.gz DNKJQDBPZWXQAW-UHFFFAOYSA-N 0 3 297.359 -1.269 20 0 CAADHN CN(CC(=O)NCCNCC(=O)NC1CC1)C(=O)C1CC1 ZINC001128613796 776200933 /nfs/dbraw/zinc/20/09/33/776200933.db2.gz HYQFBKJWFJIOCJ-UHFFFAOYSA-N 0 3 296.371 -1.161 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCN[C@H]1CCNC1=O ZINC001128619284 776200986 /nfs/dbraw/zinc/20/09/86/776200986.db2.gz ROIIHIRIQLGPSI-VIFPVBQESA-N 0 3 286.332 -2.315 20 0 CAADHN CN(CC(=O)NCCN[C@@H]1CCCNC1=O)C(=O)C1CC1 ZINC001128614405 776201021 /nfs/dbraw/zinc/20/10/21/776201021.db2.gz UCADXJSAFKCIDA-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNCCNC(=O)CCNC(=O)[C@H]1C[C@@H]1C ZINC001128633135 776201533 /nfs/dbraw/zinc/20/15/33/776201533.db2.gz MNFUFUDTVWBMJH-UWVGGRQHSA-N 0 3 284.360 -1.400 20 0 CAADHN CNC(=O)CNCCNC(=O)CCNC(=O)[C@H]1C[C@H]1C ZINC001128633138 776201576 /nfs/dbraw/zinc/20/15/76/776201576.db2.gz MNFUFUDTVWBMJH-ZJUUUORDSA-N 0 3 284.360 -1.400 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN(C)C(=O)C1CC1 ZINC001128624350 776201622 /nfs/dbraw/zinc/20/16/22/776201622.db2.gz YONHFNXQQLJSOU-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@@H](NCCNC(=O)CN(C)C(=O)COC)C(N)=O ZINC001128624313 776201737 /nfs/dbraw/zinc/20/17/37/776201737.db2.gz XOBJTLADRVFVRU-SECBINFHSA-N 0 3 288.348 -1.939 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN(C)C(=O)COC ZINC001128624385 776201750 /nfs/dbraw/zinc/20/17/50/776201750.db2.gz ZTPLWMBJPPRMRL-VIFPVBQESA-N 0 3 288.348 -2.069 20 0 CAADHN CC[C@H](NCCNC(=O)CN(C)C(=O)COC)C(N)=O ZINC001128624314 776201766 /nfs/dbraw/zinc/20/17/66/776201766.db2.gz XOBJTLADRVFVRU-VIFPVBQESA-N 0 3 288.348 -1.939 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN(C)C(=O)C1CC1 ZINC001128624351 776201829 /nfs/dbraw/zinc/20/18/29/776201829.db2.gz YONHFNXQQLJSOU-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN(C)C(=O)COC ZINC001128624384 776201850 /nfs/dbraw/zinc/20/18/50/776201850.db2.gz ZTPLWMBJPPRMRL-SECBINFHSA-N 0 3 288.348 -2.069 20 0 CAADHN CCN1C[C@H](C(=O)NCCNCC(=O)NC)CC1=O ZINC001128642923 776201989 /nfs/dbraw/zinc/20/19/89/776201989.db2.gz CIPNPZDGSNNDNB-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN CC(C)N1C[C@@H](C(=O)NCCN[C@H]2CCNC2=O)CC1=O ZINC001128639778 776202149 /nfs/dbraw/zinc/20/21/49/776202149.db2.gz LBIYCHWWQPYCGW-QWRGUYRKSA-N 0 3 296.371 -1.162 20 0 CAADHN CCN1C[C@@H](C(=O)NCCNCC(=O)N2CCC2)CC1=O ZINC001128644393 776202167 /nfs/dbraw/zinc/20/21/67/776202167.db2.gz QXJGERXDIJRTGX-NSHDSACASA-N 0 3 296.371 -1.207 20 0 CAADHN CC(C)N1C[C@H](C(=O)NCCN[C@H]2CCNC2=O)CC1=O ZINC001128639775 776202185 /nfs/dbraw/zinc/20/21/85/776202185.db2.gz LBIYCHWWQPYCGW-MNOVXSKESA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC001128640266 776202205 /nfs/dbraw/zinc/20/22/05/776202205.db2.gz QRBJBFWYZZSAQR-JTQLQIEISA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)N1C[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)CC1=O ZINC001128637560 776202218 /nfs/dbraw/zinc/20/22/18/776202218.db2.gz ANNJNEIIJDBPIC-UWVGGRQHSA-N 0 3 284.360 -1.177 20 0 CAADHN CCN1C[C@H](C(=O)NCCNCC(=O)N2CCC2)CC1=O ZINC001128644392 776202274 /nfs/dbraw/zinc/20/22/74/776202274.db2.gz QXJGERXDIJRTGX-LLVKDONJSA-N 0 3 296.371 -1.207 20 0 CAADHN CC(C)N1C[C@H](C(=O)NCCN[C@H](C)C(N)=O)CC1=O ZINC001128637557 776202347 /nfs/dbraw/zinc/20/23/47/776202347.db2.gz ANNJNEIIJDBPIC-NXEZZACHSA-N 0 3 284.360 -1.177 20 0 CAADHN CCN1C[C@H](C(=O)NCCNCC(=O)N(C)C)CC1=O ZINC001128644327 776202542 /nfs/dbraw/zinc/20/25/42/776202542.db2.gz PXRBGMBVNWRARW-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN CC[C@H](NCCNC(=O)CN(C)C(=O)C1CC1)C(N)=O ZINC001128624352 776202640 /nfs/dbraw/zinc/20/26/40/776202640.db2.gz YREZQYNTXUBZDC-JTQLQIEISA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCNCC(=O)N(C)C ZINC001128632293 776202786 /nfs/dbraw/zinc/20/27/86/776202786.db2.gz HZCYPTFXPOJIOA-GHMZBOCLSA-N 0 3 298.387 -1.057 20 0 CAADHN CCN1C[C@@H](C(=O)NCCNCC(=O)NC)CC1=O ZINC001128642925 776202797 /nfs/dbraw/zinc/20/27/97/776202797.db2.gz CIPNPZDGSNNDNB-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(CC)C1 ZINC001128650534 776203154 /nfs/dbraw/zinc/20/31/54/776203154.db2.gz NATNHQUCAZWTTO-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001128650535 776203186 /nfs/dbraw/zinc/20/31/86/776203186.db2.gz NATNHQUCAZWTTO-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CCN1C[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC)CC1=O ZINC001128650838 776203454 /nfs/dbraw/zinc/20/34/54/776203454.db2.gz PPJBHERCMBMRKX-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN COCCN1C[C@@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001128651314 776203470 /nfs/dbraw/zinc/20/34/70/776203470.db2.gz TZAXPWAKSZMTFO-VIFPVBQESA-N 0 3 286.332 -2.328 20 0 CAADHN COCCN1C[C@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001128651312 776203486 /nfs/dbraw/zinc/20/34/86/776203486.db2.gz TZAXPWAKSZMTFO-SECBINFHSA-N 0 3 286.332 -2.328 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128665048 776203594 /nfs/dbraw/zinc/20/35/94/776203594.db2.gz HBAPMBCJDIXKMR-JTQLQIEISA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128665049 776203808 /nfs/dbraw/zinc/20/38/08/776203808.db2.gz HBAPMBCJDIXKMR-SNVBAGLBSA-N 0 3 284.360 -1.305 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@H]2CCNC2=O)CC1=O ZINC001128664207 776203925 /nfs/dbraw/zinc/20/39/25/776203925.db2.gz BFQZVPLGEVOBOA-BDAKNGLRSA-N 0 3 268.317 -1.941 20 0 CAADHN CCN1C[C@H](C(=O)NCCN[C@@H]2CCNC2=O)CC1=O ZINC001128650204 776204051 /nfs/dbraw/zinc/20/40/51/776204051.db2.gz KLYPOPWBSOOUAS-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@@H]2CCNC2=O)CC1=O ZINC001128664210 776204286 /nfs/dbraw/zinc/20/42/86/776204286.db2.gz BFQZVPLGEVOBOA-RKDXNWHRSA-N 0 3 268.317 -1.941 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC1=O ZINC001128664497 776204399 /nfs/dbraw/zinc/20/43/99/776204399.db2.gz DKBLOMQESXOJNI-BDAKNGLRSA-N 0 3 296.327 -2.024 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2CC(=O)N(C)C2)C1=O ZINC001128673691 776204935 /nfs/dbraw/zinc/20/49/35/776204935.db2.gz NSTRUAJIISATJH-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)CC1=O ZINC001128665468 776204972 /nfs/dbraw/zinc/20/49/72/776204972.db2.gz OWISMOPEQINTBL-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CC(=O)N(C)C2)C1=O ZINC001128673407 776205014 /nfs/dbraw/zinc/20/50/14/776205014.db2.gz LKOUYCATFAVKCY-VHSXEESVSA-N 0 3 282.344 -1.599 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CC(=O)N(C)C2)C1=O ZINC001128673405 776205075 /nfs/dbraw/zinc/20/50/75/776205075.db2.gz LKOUYCATFAVKCY-NXEZZACHSA-N 0 3 282.344 -1.599 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)NC2CC2)CC1=O ZINC001128665451 776205089 /nfs/dbraw/zinc/20/50/89/776205089.db2.gz OOWCPIULZGVUEP-VIFPVBQESA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)N(C)C ZINC001128671675 776205182 /nfs/dbraw/zinc/20/51/82/776205182.db2.gz COQZGIPGBCHVOF-VHSXEESVSA-N 0 3 284.360 -1.353 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128665977 776205215 /nfs/dbraw/zinc/20/52/15/776205215.db2.gz XDLFLISZJKRNEX-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)N(C)C ZINC001128671673 776205264 /nfs/dbraw/zinc/20/52/64/776205264.db2.gz COQZGIPGBCHVOF-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2CC(=O)N(C)C2)C1=O ZINC001128673690 776205288 /nfs/dbraw/zinc/20/52/88/776205288.db2.gz NSTRUAJIISATJH-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)NC(N)=O ZINC001128672503 776205307 /nfs/dbraw/zinc/20/53/07/776205307.db2.gz IOGUJZQHNZZBKY-HTQZYQBOSA-N 0 3 299.331 -2.246 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128665344 776205323 /nfs/dbraw/zinc/20/53/23/776205323.db2.gz OITAUGAWYBBKFW-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)CC1=O ZINC001128665474 776205394 /nfs/dbraw/zinc/20/53/94/776205394.db2.gz OWKFGWAESYQYGH-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)NC(N)=O)CC1=O ZINC001128665726 776205405 /nfs/dbraw/zinc/20/54/05/776205405.db2.gz SEMHEXMXLKMWNB-SSDOTTSWSA-N 0 3 285.304 -2.635 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CC(=O)N(C)C1)C(N)=O ZINC001128665892 776205414 /nfs/dbraw/zinc/20/54/14/776205414.db2.gz VWGKSONSTBNUHZ-JGVFFNPUSA-N 0 3 256.306 -1.956 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)N2CCCC2)CC1=O ZINC001128665529 776205421 /nfs/dbraw/zinc/20/54/21/776205421.db2.gz QBEAJGRALNATIV-NSHDSACASA-N 0 3 296.371 -1.207 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CC(=O)N(C)C2)C1=O ZINC001128673406 776205428 /nfs/dbraw/zinc/20/54/28/776205428.db2.gz LKOUYCATFAVKCY-UWVGGRQHSA-N 0 3 282.344 -1.599 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CC1=O ZINC001128665727 776205821 /nfs/dbraw/zinc/20/58/21/776205821.db2.gz SEMHEXMXLKMWNB-ZETCQYMHSA-N 0 3 285.304 -2.635 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)NC(N)=O ZINC001128672505 776205866 /nfs/dbraw/zinc/20/58/66/776205866.db2.gz IOGUJZQHNZZBKY-SFYZADRCSA-N 0 3 299.331 -2.246 20 0 CAADHN COCC(=O)NCCC(=O)NCCNCC(N)=O ZINC001128686254 776206441 /nfs/dbraw/zinc/20/64/41/776206441.db2.gz ONZQNRMCGDJANY-UHFFFAOYSA-N 0 3 260.294 -2.670 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128671657 776206516 /nfs/dbraw/zinc/20/65/16/776206516.db2.gz CIGNGJDHNBSDSG-BDAKNGLRSA-N 0 3 270.333 -1.695 20 0 CAADHN COCC(=O)NCCC(=O)NCCNCC(=O)N(C)C ZINC001128686911 776206770 /nfs/dbraw/zinc/20/67/70/776206770.db2.gz YGRVVOFJPLCRGI-UHFFFAOYSA-N 0 3 288.348 -2.067 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CC(=O)N(C)C1)C(N)=O ZINC001128674086 776207420 /nfs/dbraw/zinc/20/74/20/776207420.db2.gz QJYIMUHHPQDCPZ-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CCN1C[C@@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)CC1=O ZINC001128679881 776207707 /nfs/dbraw/zinc/20/77/07/776207707.db2.gz LZQOAWJZDJJXDD-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)CNCCNC(=O)CCCNC(=O)C1CC1 ZINC001128696483 776208335 /nfs/dbraw/zinc/20/83/35/776208335.db2.gz NIKBKSJPTWYIEQ-UHFFFAOYSA-N 0 3 270.333 -1.516 20 0 CAADHN C[C@H](NCCNC(=O)CCn1ccccc1=O)C(N)=O ZINC001128716001 776208394 /nfs/dbraw/zinc/20/83/94/776208394.db2.gz QNVRTLLSCVRTCI-JTQLQIEISA-N 0 3 280.328 -1.182 20 0 CAADHN O=C(CCCNC(=O)C1CC1)NCCN[C@@H]1CCNC1=O ZINC001128696419 776208418 /nfs/dbraw/zinc/20/84/18/776208418.db2.gz KWBKLKUEZYIVBH-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001128721047 776208478 /nfs/dbraw/zinc/20/84/78/776208478.db2.gz VXVGPQATGAOSRZ-BDAKNGLRSA-N 0 3 298.343 -1.636 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)N1C(=O)CCC1=O)C(N)=O ZINC001128720858 776208522 /nfs/dbraw/zinc/20/85/22/776208522.db2.gz SVKBZGJNOZSBIN-YUMQZZPRSA-N 0 3 284.316 -1.897 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H](C)N1C(=O)CCC1=O)C(N)=O ZINC001128720400 776208570 /nfs/dbraw/zinc/20/85/70/776208570.db2.gz LXVZZHQKNDHPGL-BDAKNGLRSA-N 0 3 298.343 -1.506 20 0 CAADHN NC(=O)CNCCNC(=O)c1cccc(OCC(N)=O)c1 ZINC001128701697 776208607 /nfs/dbraw/zinc/20/86/07/776208607.db2.gz GNEYNGKVJKBRIW-UHFFFAOYSA-N 0 3 294.311 -1.645 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001128718927 776208805 /nfs/dbraw/zinc/20/88/05/776208805.db2.gz AENMKYGOEXLACQ-MRVPVSSYSA-N 0 3 284.316 -2.024 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H](C)N1C(=O)CCC1=O)C(N)=O ZINC001128720401 776208876 /nfs/dbraw/zinc/20/88/76/776208876.db2.gz LXVZZHQKNDHPGL-DTWKUNHWSA-N 0 3 298.343 -1.506 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)N(C)C)N1C(=O)CCC1=O ZINC001128721068 776208914 /nfs/dbraw/zinc/20/89/14/776208914.db2.gz WDNLMFGTAHYJLO-VIFPVBQESA-N 0 3 298.343 -1.682 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001128718929 776209055 /nfs/dbraw/zinc/20/90/55/776209055.db2.gz AENMKYGOEXLACQ-QMMMGPOBSA-N 0 3 284.316 -2.024 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001128721050 776209122 /nfs/dbraw/zinc/20/91/22/776209122.db2.gz VXVGPQATGAOSRZ-RKDXNWHRSA-N 0 3 298.343 -1.636 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H](C)C(N)=O)N1C(=O)CCC1=O ZINC001128720756 776209421 /nfs/dbraw/zinc/20/94/21/776209421.db2.gz SVKBZGJNOZSBIN-JGVFFNPUSA-N 0 3 284.316 -1.897 20 0 CAADHN CN1CC[C@@H](NC[C@@H]2CCCN2C(=O)CC(N)=O)C1=O ZINC001044967909 776211152 /nfs/dbraw/zinc/21/11/52/776211152.db2.gz VAZYCXLALCDUHU-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)CNCCNC(=O)CCCN1C(=O)CCC1=O ZINC001128759214 776212515 /nfs/dbraw/zinc/21/25/15/776212515.db2.gz XRQWOLYTIVCMGZ-UHFFFAOYSA-N 0 3 284.316 -1.893 20 0 CAADHN Cc1c(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)nnn1C ZINC001090158238 776213897 /nfs/dbraw/zinc/21/38/97/776213897.db2.gz HSESZRGKQZABNH-GHMZBOCLSA-N 0 3 297.359 -1.329 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)CNC(=O)NC ZINC001128789401 776213994 /nfs/dbraw/zinc/21/39/94/776213994.db2.gz FXWWOZYTSGGJLS-UHFFFAOYSA-N 0 3 287.364 -1.510 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858854 776215048 /nfs/dbraw/zinc/21/50/48/776215048.db2.gz WBCDCPKVLMYJDZ-MNOVXSKESA-N 0 3 297.355 -1.144 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)N1CCCC1 ZINC001128789524 776215109 /nfs/dbraw/zinc/21/51/09/776215109.db2.gz IZQWYPYRTVLJBJ-UHFFFAOYSA-N 0 3 285.348 -1.756 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)N1CCC1 ZINC001128790740 776215711 /nfs/dbraw/zinc/21/57/11/776215711.db2.gz ZBIFEWGZZASHKS-UHFFFAOYSA-N 0 3 271.321 -2.147 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001128790543 776215757 /nfs/dbraw/zinc/21/57/57/776215757.db2.gz WXBZEAXPDVPQMF-UHFFFAOYSA-N 0 3 285.348 -1.758 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@@H]1CCNC1=O ZINC001128790184 776215808 /nfs/dbraw/zinc/21/58/08/776215808.db2.gz RRLOWASDYIQJPQ-SSDOTTSWSA-N 0 3 257.294 -2.490 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@H]1CCCNC1=O ZINC001128789806 776215852 /nfs/dbraw/zinc/21/58/52/776215852.db2.gz MAAVDIBGKXALFH-QMMMGPOBSA-N 0 3 271.321 -2.100 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001128790724 776216027 /nfs/dbraw/zinc/21/60/27/776216027.db2.gz YRJRMGLQCKNHSE-UHFFFAOYSA-N 0 3 299.375 -1.366 20 0 CAADHN CNC(=O)NCC(=O)NCCNCCNS(C)(=O)=O ZINC001128794857 776216061 /nfs/dbraw/zinc/21/60/61/776216061.db2.gz CCTCOWDTXLLXGW-UHFFFAOYSA-N 0 3 295.365 -2.830 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)NCC1CC1 ZINC001128790462 776216141 /nfs/dbraw/zinc/21/61/41/776216141.db2.gz UGVANVBDSLNMLR-UHFFFAOYSA-N 0 3 285.348 -1.853 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)NC(C)C ZINC001128790097 776216374 /nfs/dbraw/zinc/21/63/74/776216374.db2.gz PNDYMHBVJYCMIS-UHFFFAOYSA-N 0 3 273.337 -1.854 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001128789805 776216750 /nfs/dbraw/zinc/21/67/50/776216750.db2.gz MAAVDIBGKXALFH-MRVPVSSYSA-N 0 3 271.321 -2.100 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001128795590 776217208 /nfs/dbraw/zinc/21/72/08/776217208.db2.gz RILOQLUSCHVJQK-MRVPVSSYSA-N 0 3 273.337 -1.902 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)NC ZINC001128800495 776217224 /nfs/dbraw/zinc/21/72/24/776217224.db2.gz VFLZEMDEGPLHCS-SECBINFHSA-N 0 3 287.364 -1.464 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001128795591 776217293 /nfs/dbraw/zinc/21/72/93/776217293.db2.gz RILOQLUSCHVJQK-QMMMGPOBSA-N 0 3 273.337 -1.902 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001128800669 776217878 /nfs/dbraw/zinc/21/78/78/776217878.db2.gz YLKZKKSRJOUVHA-MRVPVSSYSA-N 0 3 285.348 -1.712 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001128795798 776217889 /nfs/dbraw/zinc/21/78/89/776217889.db2.gz VDPDRIFICOUISY-QMMMGPOBSA-N 0 3 271.321 -2.148 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CCCS1(=O)=O ZINC001128813717 776218013 /nfs/dbraw/zinc/21/80/13/776218013.db2.gz BEHFRCMRNHRXRN-UHFFFAOYSA-N 0 3 292.361 -2.526 20 0 CAADHN Cc1cc(CC(=O)N[C@H]2CCN(CCO)C[C@@H]2O)n[nH]1 ZINC001090182660 776219091 /nfs/dbraw/zinc/21/90/91/776219091.db2.gz NJWZKASEFGUWQF-RYUDHWBXSA-N 0 3 282.344 -1.196 20 0 CAADHN Cc1cc(CC(=O)N[C@H]2CCN(CCO)C[C@@H]2O)[nH]n1 ZINC001090182660 776219095 /nfs/dbraw/zinc/21/90/95/776219095.db2.gz NJWZKASEFGUWQF-RYUDHWBXSA-N 0 3 282.344 -1.196 20 0 CAADHN CNC(=O)CNCCNC(=O)C1(COC)CCOCC1 ZINC001128850041 776219145 /nfs/dbraw/zinc/21/91/45/776219145.db2.gz NYBNSAXHIPIWIN-UHFFFAOYSA-N 0 3 287.360 -1.119 20 0 CAADHN Cc1cc(CC(=O)N[C@@H]2CCN(CCO)C[C@@H]2O)n[nH]1 ZINC001090182658 776219834 /nfs/dbraw/zinc/21/98/34/776219834.db2.gz NJWZKASEFGUWQF-NEPJUHHUSA-N 0 3 282.344 -1.196 20 0 CAADHN Cc1cc(CC(=O)N[C@@H]2CCN(CCO)C[C@@H]2O)[nH]n1 ZINC001090182658 776219839 /nfs/dbraw/zinc/21/98/39/776219839.db2.gz NJWZKASEFGUWQF-NEPJUHHUSA-N 0 3 282.344 -1.196 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccc2n[nH]nc2n1 ZINC001128885264 776220766 /nfs/dbraw/zinc/22/07/66/776220766.db2.gz CCDQXZCUIIZOPI-ZETCQYMHSA-N 0 3 291.315 -1.193 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccc2n[nH]nc2n1 ZINC001128885263 776220822 /nfs/dbraw/zinc/22/08/22/776220822.db2.gz CCDQXZCUIIZOPI-SSDOTTSWSA-N 0 3 291.315 -1.193 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090196100 776221252 /nfs/dbraw/zinc/22/12/52/776221252.db2.gz BKVRUGSOHQZEJM-VHSXEESVSA-N 0 3 299.331 -1.819 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090196078 776221386 /nfs/dbraw/zinc/22/13/86/776221386.db2.gz BKVRUGSOHQZEJM-NXEZZACHSA-N 0 3 299.331 -1.819 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1ccc2n[nH]nc2n1 ZINC001128880445 776221625 /nfs/dbraw/zinc/22/16/25/776221625.db2.gz UOHFIYWUPNWXHE-MRVPVSSYSA-N 0 3 289.299 -1.439 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc2n(n1)CCC2 ZINC001128905167 776223452 /nfs/dbraw/zinc/22/34/52/776223452.db2.gz NZGWSBYVIMILLK-UHFFFAOYSA-N 0 3 251.290 -1.366 20 0 CAADHN Cc1c(C(=O)NCCNCC(N)=O)nn2c1OCCC2 ZINC001128885552 776223511 /nfs/dbraw/zinc/22/35/11/776223511.db2.gz PLNVFYPEOIDCCT-UHFFFAOYSA-N 0 3 281.316 -1.221 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)n1 ZINC001083860513 776224022 /nfs/dbraw/zinc/22/40/22/776224022.db2.gz UZCIBIPQYZKITE-JLLWLGSASA-N 0 3 295.343 -1.374 20 0 CAADHN COc1nc(C)ncc1C(=O)NCCN[C@H](C)C(N)=O ZINC001128918923 776224925 /nfs/dbraw/zinc/22/49/25/776224925.db2.gz RIGRWAINWAONOI-SSDOTTSWSA-N 0 3 281.316 -1.013 20 0 CAADHN NC(=O)CNCCNC(=O)c1cn(-c2cccnc2)nn1 ZINC001128914269 776225361 /nfs/dbraw/zinc/22/53/61/776225361.db2.gz ADZAZPMEAWMVKT-UHFFFAOYSA-N 0 3 289.299 -1.533 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001090205047 776225710 /nfs/dbraw/zinc/22/57/10/776225710.db2.gz ZEQDXOAEUGZNGI-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N(C)C1CC(O)C1 ZINC001117904326 776225723 /nfs/dbraw/zinc/22/57/23/776225723.db2.gz BKSFEQFODWFWSO-UHFFFAOYSA-N 0 3 257.334 -1.012 20 0 CAADHN CN(CCO)CCN(C)C(=O)CN1CSCC1=O ZINC000691371584 776226666 /nfs/dbraw/zinc/22/66/66/776226666.db2.gz LYXJONKMAHVOJQ-UHFFFAOYSA-N 0 3 275.374 -1.098 20 0 CAADHN Cn1ncc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)c1N ZINC001090216484 776226882 /nfs/dbraw/zinc/22/68/82/776226882.db2.gz NDLAHHIEKPJNBV-QWRGUYRKSA-N 0 3 297.359 -1.450 20 0 CAADHN Cn1ncc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)c1N ZINC001090216485 776227452 /nfs/dbraw/zinc/22/74/52/776227452.db2.gz NDLAHHIEKPJNBV-WDEREUQCSA-N 0 3 297.359 -1.450 20 0 CAADHN COCCN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001090219677 776228012 /nfs/dbraw/zinc/22/80/12/776228012.db2.gz VCTDRFGYCSGIRU-QWHCGFSZSA-N 0 3 299.371 -1.338 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)C1 ZINC001090223931 776229216 /nfs/dbraw/zinc/22/92/16/776229216.db2.gz BHBKLRDSLAAPDX-CHWSQXEVSA-N 0 3 299.371 -1.602 20 0 CAADHN C[C@H](NCCNC(=O)CCc1c[nH]cn1)C(N)=O ZINC001128967215 776229393 /nfs/dbraw/zinc/22/93/93/776229393.db2.gz GWAUKLWAWHTJFP-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN CC(C)(C)n1cc(C(=O)NCCNCC(N)=O)nn1 ZINC001128964769 776229666 /nfs/dbraw/zinc/22/96/66/776229666.db2.gz VNDSDHYDDUFEBY-UHFFFAOYSA-N 0 3 268.321 -1.162 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090227082 776230332 /nfs/dbraw/zinc/23/03/32/776230332.db2.gz HDIDXRYUQJDFCN-ZJUUUORDSA-N 0 3 283.332 -1.638 20 0 CAADHN Cn1oc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)cc1=O ZINC001090224962 776230669 /nfs/dbraw/zinc/23/06/69/776230669.db2.gz JFVDAEGCRIZOJT-VHSXEESVSA-N 0 3 299.327 -1.474 20 0 CAADHN Cn1oc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)cc1=O ZINC001090224961 776231113 /nfs/dbraw/zinc/23/11/13/776231113.db2.gz JFVDAEGCRIZOJT-UWVGGRQHSA-N 0 3 299.327 -1.474 20 0 CAADHN O=C(Cc1cncnc1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090232891 776232296 /nfs/dbraw/zinc/23/22/96/776232296.db2.gz ZQMIUDSKCVNTKC-QWHCGFSZSA-N 0 3 294.355 -1.047 20 0 CAADHN O=C(Cc1cncnc1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090232894 776232542 /nfs/dbraw/zinc/23/25/42/776232542.db2.gz ZQMIUDSKCVNTKC-STQMWFEESA-N 0 3 294.355 -1.047 20 0 CAADHN Cn1nccc1CC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090231486 776232694 /nfs/dbraw/zinc/23/26/94/776232694.db2.gz OZZQOEZRVTUTLU-OLZOCXBDSA-N 0 3 296.371 -1.104 20 0 CAADHN Cn1nccc1CC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090231487 776232725 /nfs/dbraw/zinc/23/27/25/776232725.db2.gz OZZQOEZRVTUTLU-QWHCGFSZSA-N 0 3 296.371 -1.104 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)nn1 ZINC001090239059 776234750 /nfs/dbraw/zinc/23/47/50/776234750.db2.gz BAKGFUCUYXUFSZ-MWLCHTKSSA-N 0 3 283.332 -1.638 20 0 CAADHN Cn1nncc1C(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090238396 776235056 /nfs/dbraw/zinc/23/50/56/776235056.db2.gz YAJAQDYBVVYYEN-ONGXEEELSA-N 0 3 283.332 -1.638 20 0 CAADHN Cc1nnc(CC(=O)N[C@H]2CCN(CCCO)C[C@H]2O)o1 ZINC001090246886 776235776 /nfs/dbraw/zinc/23/57/76/776235776.db2.gz PFWJIXVWGVKZAJ-WDEREUQCSA-N 0 3 298.343 -1.146 20 0 CAADHN C[C@H](NCCNC(=O)CCc1c[nH]cn1)C(=O)NC(N)=O ZINC001128992303 776235816 /nfs/dbraw/zinc/23/58/16/776235816.db2.gz ZJEHXDVQIJYKMB-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN CCn1nncc1C(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090249553 776235824 /nfs/dbraw/zinc/23/58/24/776235824.db2.gz PSOCEGMCGAOMKJ-PWSUYJOCSA-N 0 3 297.359 -1.155 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1c[nH]cn1)C(=O)NC(N)=O ZINC001128992302 776236039 /nfs/dbraw/zinc/23/60/39/776236039.db2.gz ZJEHXDVQIJYKMB-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN O=C(CCc1c[nH]cn1)NCCN[C@H]1CCNC1=O ZINC001128992306 776236238 /nfs/dbraw/zinc/23/62/38/776236238.db2.gz ZMACWUDNMRZHEA-JTQLQIEISA-N 0 3 265.317 -1.063 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)[C@H](O)C1 ZINC001090257515 776238946 /nfs/dbraw/zinc/23/89/46/776238946.db2.gz IRKUWEHKKGCXED-WDEREUQCSA-N 0 3 297.359 -1.147 20 0 CAADHN Cc1c(CC(=O)NCCN[C@@H]2CCNC2=O)cnn1C ZINC001129052594 776239605 /nfs/dbraw/zinc/23/96/05/776239605.db2.gz LCWGANUMTNPWLK-LLVKDONJSA-N 0 3 279.344 -1.135 20 0 CAADHN COCCC1(C(=O)NCCNCC(=O)NC(N)=O)CC1 ZINC001129043621 776239824 /nfs/dbraw/zinc/23/98/24/776239824.db2.gz FTQZCBVHQCKESX-UHFFFAOYSA-N 0 3 286.332 -1.296 20 0 CAADHN Cc1c(CC(=O)NCCN[C@@H](C)C(N)=O)cnn1C ZINC001129052554 776240503 /nfs/dbraw/zinc/24/05/03/776240503.db2.gz KFRXXECMTXETCF-QMMMGPOBSA-N 0 3 267.333 -1.149 20 0 CAADHN C[C@H](C(=O)NCCNCC(N)=O)n1nnnc1C(C)(C)C ZINC001129060664 776242506 /nfs/dbraw/zinc/24/25/06/776242506.db2.gz IYUMNDNFHQWQGS-MRVPVSSYSA-N 0 3 297.363 -1.277 20 0 CAADHN CN1CCN(CCC(=O)N[C@H](CO)C(N)=O)CC1 ZINC001143236575 776242678 /nfs/dbraw/zinc/24/26/78/776242678.db2.gz LZBDNEHKVBPMIQ-SECBINFHSA-N 0 3 258.322 -2.414 20 0 CAADHN COC[C@@H](C)[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001129138422 776245051 /nfs/dbraw/zinc/24/50/51/776245051.db2.gz SQMSTWHZOPKREP-RKDXNWHRSA-N 0 3 288.348 -1.194 20 0 CAADHN CO[C@H]1COCC[C@@H]1CC(=O)NCCNCC(N)=O ZINC001129212846 776245624 /nfs/dbraw/zinc/24/56/24/776245624.db2.gz IPETWSMDWGSTQE-ZJUUUORDSA-N 0 3 273.333 -1.381 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCCn1ccnn1 ZINC001129172351 776246070 /nfs/dbraw/zinc/24/60/70/776246070.db2.gz LVHPPXXGJXFZOW-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN O=C(CCCn1ccnn1)NCCN[C@@H]1CCNC1=O ZINC001129172356 776246113 /nfs/dbraw/zinc/24/61/13/776246113.db2.gz LWPTXUAXLHUWDQ-SNVBAGLBSA-N 0 3 280.332 -1.347 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H]1CCOC[C@H]1OC ZINC001129207762 776246172 /nfs/dbraw/zinc/24/61/72/776246172.db2.gz KZKMVNFDOWHOEO-GHMZBOCLSA-N 0 3 287.360 -1.120 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCCn1ccnn1 ZINC001129172575 776246177 /nfs/dbraw/zinc/24/61/77/776246177.db2.gz PLPFUSYZUVHPLO-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN CO[C@H]1COCC[C@H]1CC(=O)NCCNCC(N)=O ZINC001129212844 776246543 /nfs/dbraw/zinc/24/65/43/776246543.db2.gz IPETWSMDWGSTQE-UWVGGRQHSA-N 0 3 273.333 -1.381 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCCn1ccnn1 ZINC001129172365 776246657 /nfs/dbraw/zinc/24/66/57/776246657.db2.gz MHMNBCFLNKBDCD-UHFFFAOYSA-N 0 3 297.319 -2.041 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H]1CCOC[C@@H]1OC ZINC001129207767 776246685 /nfs/dbraw/zinc/24/66/85/776246685.db2.gz KZKMVNFDOWHOEO-QWRGUYRKSA-N 0 3 287.360 -1.120 20 0 CAADHN NC(=O)CNCCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129254870 776247567 /nfs/dbraw/zinc/24/75/67/776247567.db2.gz CPCZBRKHTVATTR-MRVPVSSYSA-N 0 3 256.306 -1.906 20 0 CAADHN O=C(C[C@H]1CCC(=O)NC1)NCCN[C@H]1CCCNC1=O ZINC001129256420 776247586 /nfs/dbraw/zinc/24/75/86/776247586.db2.gz QEXZDSKZLLNBEP-MNOVXSKESA-N 0 3 296.371 -1.113 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@@H]1CCC(=O)NC1)C(N)=O ZINC001129257019 776247743 /nfs/dbraw/zinc/24/77/43/776247743.db2.gz XUEZBKAOYHZGIK-UWVGGRQHSA-N 0 3 284.360 -1.128 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129254887 776248117 /nfs/dbraw/zinc/24/81/17/776248117.db2.gz CWZXGNIRWMSOFB-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN O=C(C[C@H]1CCC(=O)NC1)NCCN[C@@H]1CCCNC1=O ZINC001129256418 776248209 /nfs/dbraw/zinc/24/82/09/776248209.db2.gz QEXZDSKZLLNBEP-GHMZBOCLSA-N 0 3 296.371 -1.113 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129255608 776248224 /nfs/dbraw/zinc/24/82/24/776248224.db2.gz KBESVYQCGZZXMF-MRVPVSSYSA-N 0 3 299.331 -2.197 20 0 CAADHN COc1c(C2C[NH2+]C2)ncnc1-n1[n-]c(=O)nc1CN ZINC001168760491 776248393 /nfs/dbraw/zinc/24/83/93/776248393.db2.gz OJBIUAKPURFBKK-UHFFFAOYSA-N 0 3 277.288 -1.083 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083869774 776249461 /nfs/dbraw/zinc/24/94/61/776249461.db2.gz XYNZRZRKXSGXOC-ZJUUUORDSA-N 0 3 296.327 -1.891 20 0 CAADHN O=C(C[C@@H]1CCC(=O)NC1)NCCN[C@H]1CCNC1=O ZINC001129257093 776249704 /nfs/dbraw/zinc/24/97/04/776249704.db2.gz ZOSLPTQMUHRKLB-UWVGGRQHSA-N 0 3 282.344 -1.503 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@H]1CCC(=O)NC1)C(N)=O ZINC001129257021 776249742 /nfs/dbraw/zinc/24/97/42/776249742.db2.gz XUEZBKAOYHZGIK-ZJUUUORDSA-N 0 3 284.360 -1.128 20 0 CAADHN O=C(C[C@@H]1CCC(=O)NC1)NCCNCC(=O)N1CCC1 ZINC001129263280 776250404 /nfs/dbraw/zinc/25/04/04/776250404.db2.gz XGBOBTHJFQBZRT-NSHDSACASA-N 0 3 296.371 -1.159 20 0 CAADHN O=C(C[C@H]1CCC(=O)NC1)NCCNCC(=O)N1CCC1 ZINC001129263279 776250527 /nfs/dbraw/zinc/25/05/27/776250527.db2.gz XGBOBTHJFQBZRT-LLVKDONJSA-N 0 3 296.371 -1.159 20 0 CAADHN CCn1nnc(C)c1C(=O)NCCNCC(=O)NC ZINC001129273955 776253097 /nfs/dbraw/zinc/25/30/97/776253097.db2.gz CCXTZFOMEXZDOW-UHFFFAOYSA-N 0 3 268.321 -1.328 20 0 CAADHN CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 ZINC001036673292 776253953 /nfs/dbraw/zinc/25/39/53/776253953.db2.gz NSACRQKFYLFACT-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN CCn1nnc(C)c1C(=O)NCCN[C@H](C)C(N)=O ZINC001129275017 776254385 /nfs/dbraw/zinc/25/43/85/776254385.db2.gz NUTROTSIPRVNMH-MRVPVSSYSA-N 0 3 268.321 -1.200 20 0 CAADHN Cn1ccc(CC(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090263822 776255474 /nfs/dbraw/zinc/25/54/74/776255474.db2.gz XYLZKIJNQMOFFW-CHWSQXEVSA-N 0 3 296.371 -1.104 20 0 CAADHN Cn1ccc(CC(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090263824 776256170 /nfs/dbraw/zinc/25/61/70/776256170.db2.gz XYLZKIJNQMOFFW-OLZOCXBDSA-N 0 3 296.371 -1.104 20 0 CAADHN CO[C@H](C)CN1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001083873583 776256591 /nfs/dbraw/zinc/25/65/91/776256591.db2.gz GTTHGJXSVIHMRU-HLTSFMKQSA-N 0 3 269.305 -1.386 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001090267717 776257613 /nfs/dbraw/zinc/25/76/13/776257613.db2.gz CORUTAXHHNSTHF-ZJUUUORDSA-N 0 3 286.311 -1.416 20 0 CAADHN O=C(Cn1ncnn1)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001090267716 776257816 /nfs/dbraw/zinc/25/78/16/776257816.db2.gz CORUTAXHHNSTHF-VHSXEESVSA-N 0 3 286.311 -1.416 20 0 CAADHN C[C@@H](O)CN1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001083873995 776258053 /nfs/dbraw/zinc/25/80/53/776258053.db2.gz ZQIJCMTTZLUQSI-PRJMDXOYSA-N 0 3 255.278 -2.040 20 0 CAADHN C[C@@H](O)CN1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083873995 776258058 /nfs/dbraw/zinc/25/80/58/776258058.db2.gz ZQIJCMTTZLUQSI-PRJMDXOYSA-N 0 3 255.278 -2.040 20 0 CAADHN C[C@@H](O)CN1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001083873995 776258064 /nfs/dbraw/zinc/25/80/64/776258064.db2.gz ZQIJCMTTZLUQSI-PRJMDXOYSA-N 0 3 255.278 -2.040 20 0 CAADHN C[C@@H](N)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001118134300 776259246 /nfs/dbraw/zinc/25/92/46/776259246.db2.gz MUKGRXWCVQCUFP-VXNVDRBHSA-N 0 3 251.290 -1.011 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268745 776259302 /nfs/dbraw/zinc/25/93/02/776259302.db2.gz ONLHXOBTEUNOJG-NXEZZACHSA-N 0 3 284.320 -2.129 20 0 CAADHN C[C@H](N)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC001118134299 776259510 /nfs/dbraw/zinc/25/95/10/776259510.db2.gz MUKGRXWCVQCUFP-IONNQARKSA-N 0 3 251.290 -1.011 20 0 CAADHN O=C(Cn1ncnn1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090270583 776262375 /nfs/dbraw/zinc/26/23/75/776262375.db2.gz XZICYPKKNXMFKY-UWVGGRQHSA-N 0 3 284.320 -2.393 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090274972 776264689 /nfs/dbraw/zinc/26/46/89/776264689.db2.gz JUCXHKDQHCJRQH-BDAKNGLRSA-N 0 3 296.331 -2.052 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099690422 776265868 /nfs/dbraw/zinc/26/58/68/776265868.db2.gz OOHVJBJZFOEZJY-VXGBXAGGSA-N 0 3 287.360 -1.602 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099690421 776266169 /nfs/dbraw/zinc/26/61/69/776266169.db2.gz OOHVJBJZFOEZJY-RYUDHWBXSA-N 0 3 287.360 -1.602 20 0 CAADHN CC(C)[C@H]1CN(C(=O)CN2C(=O)CNC2=O)CCN1 ZINC001118200797 776269031 /nfs/dbraw/zinc/26/90/31/776269031.db2.gz IAWQCVUGESDRRU-SECBINFHSA-N 0 3 268.317 -1.005 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NCCNCC(=O)N1CCCC1 ZINC001129290668 776270001 /nfs/dbraw/zinc/27/00/01/776270001.db2.gz DCIFTYLSDBJUST-NSHDSACASA-N 0 3 296.371 -1.159 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NCCNCC(=O)N1CCC1 ZINC001129290826 776270821 /nfs/dbraw/zinc/27/08/21/776270821.db2.gz FOHBTGOZOKVKNV-SNVBAGLBSA-N 0 3 282.344 -1.549 20 0 CAADHN CN(C(=O)CNCCNC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001129296624 776271901 /nfs/dbraw/zinc/27/19/01/776271901.db2.gz CQVTVXGMTFDANJ-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001129297469 776273754 /nfs/dbraw/zinc/27/37/54/776273754.db2.gz MJDZJQJVBGIION-DTWKUNHWSA-N 0 3 296.327 -1.976 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCNC1=O)C(N)=O ZINC001129296734 776274027 /nfs/dbraw/zinc/27/40/27/776274027.db2.gz FMTHHVSWYFBEFN-SFYZADRCSA-N 0 3 256.306 -1.908 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)C[C@H]2CCNC2=O)C1=O ZINC001129297843 776274107 /nfs/dbraw/zinc/27/41/07/776274107.db2.gz PFRVLSCLGDLIHI-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129297470 776274195 /nfs/dbraw/zinc/27/41/95/776274195.db2.gz MJDZJQJVBGIION-IUCAKERBSA-N 0 3 296.327 -1.976 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)C[C@H]2CCNC2=O)C1=O ZINC001129296648 776274887 /nfs/dbraw/zinc/27/48/87/776274887.db2.gz CZVBAWPPLMQWQK-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NCCN[C@@H]1CCNC1=O ZINC001129296819 776274944 /nfs/dbraw/zinc/27/49/44/776274944.db2.gz HAIGTYXHFJOWES-DTWKUNHWSA-N 0 3 268.317 -1.893 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@@H]1CCNC1=O ZINC001129298841 776275630 /nfs/dbraw/zinc/27/56/30/776275630.db2.gz YACDHBAIOUFOHQ-VIFPVBQESA-N 0 3 270.333 -1.646 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@@H]2CCNC2=O)C1=O ZINC001129303701 776276075 /nfs/dbraw/zinc/27/60/75/776276075.db2.gz LEBIRUGCPYMYPX-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@H](C(=O)NCC1(NC(=O)C(N)=O)CCC1)N(C)C ZINC001063496780 776276186 /nfs/dbraw/zinc/27/61/86/776276186.db2.gz GYYLNLMRQVMOCZ-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@@H]2CCNC2=O)C1=O ZINC001129303700 776276332 /nfs/dbraw/zinc/27/63/32/776276332.db2.gz LEBIRUGCPYMYPX-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCNC1=O)C(=O)N(C)C ZINC001129302725 776276568 /nfs/dbraw/zinc/27/65/68/776276568.db2.gz GUKNECBRPLVAMF-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCNC1=O)C(=O)N(C)C ZINC001129302734 776276471 /nfs/dbraw/zinc/27/64/71/776276471.db2.gz GUKNECBRPLVAMF-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1cnc(C)o1 ZINC001129305899 776277051 /nfs/dbraw/zinc/27/70/51/776277051.db2.gz XYSIMCCADPAXIT-UHFFFAOYSA-N 0 3 254.290 -1.023 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCC1(NC(=O)C(N)=O)CCC1 ZINC001063863215 776277171 /nfs/dbraw/zinc/27/71/71/776277171.db2.gz AAUZNUCVBBTOMY-UHFFFAOYSA-N 0 3 293.327 -1.099 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCNC1=O)C(=O)NC(N)=O ZINC001129302898 776277323 /nfs/dbraw/zinc/27/73/23/776277323.db2.gz IASPHGUNLKGHMO-SFYZADRCSA-N 0 3 299.331 -2.198 20 0 CAADHN Cc1ncc(CC(=O)NCCNCC(=O)NC(N)=O)o1 ZINC001129310259 776277882 /nfs/dbraw/zinc/27/78/82/776277882.db2.gz LQILIUWXHOKLTQ-UHFFFAOYSA-N 0 3 283.288 -1.574 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCNC1=O)C(=O)NC1CC1 ZINC001129305913 776277975 /nfs/dbraw/zinc/27/79/75/776277975.db2.gz YTLGRTXYNIACHG-NXEZZACHSA-N 0 3 296.371 -1.115 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1(CNC(=O)C(N)=O)CCC1 ZINC001064289950 776280545 /nfs/dbraw/zinc/28/05/45/776280545.db2.gz QKQCETLXCRSIBY-UHFFFAOYSA-N 0 3 293.327 -1.099 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090297104 776285158 /nfs/dbraw/zinc/28/51/58/776285158.db2.gz GIBXLYSJDJCDOW-VHSXEESVSA-N 0 3 253.306 -1.151 20 0 CAADHN O=C(Cn1nccn1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090296744 776285608 /nfs/dbraw/zinc/28/56/08/776285608.db2.gz CAHDBONQFLVHHR-WDEREUQCSA-N 0 3 283.332 -1.788 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090296740 776285695 /nfs/dbraw/zinc/28/56/95/776285695.db2.gz CAHDBONQFLVHHR-MNOVXSKESA-N 0 3 283.332 -1.788 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090297103 776286031 /nfs/dbraw/zinc/28/60/31/776286031.db2.gz GIBXLYSJDJCDOW-UWVGGRQHSA-N 0 3 253.306 -1.151 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298308 776287058 /nfs/dbraw/zinc/28/70/58/776287058.db2.gz OHYVVXOKXONMRB-MNOVXSKESA-N 0 3 283.332 -1.524 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001090328226 776292396 /nfs/dbraw/zinc/29/23/96/776292396.db2.gz YMKROXLZAZZAGU-MNOVXSKESA-N 0 3 285.344 -1.584 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090345315 776295531 /nfs/dbraw/zinc/29/55/31/776295531.db2.gz VPQVIXXWUXBCAP-ZJUUUORDSA-N 0 3 298.343 -1.029 20 0 CAADHN COCCN1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001090342180 776295928 /nfs/dbraw/zinc/29/59/28/776295928.db2.gz ONMQVPYGCYBUIW-QWRGUYRKSA-N 0 3 296.327 -1.006 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090345314 776296102 /nfs/dbraw/zinc/29/61/02/776296102.db2.gz VPQVIXXWUXBCAP-VHSXEESVSA-N 0 3 298.343 -1.029 20 0 CAADHN COCCN1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001090342177 776296241 /nfs/dbraw/zinc/29/62/41/776296241.db2.gz ONMQVPYGCYBUIW-MNOVXSKESA-N 0 3 296.327 -1.006 20 0 CAADHN COCCN1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001090342174 776296324 /nfs/dbraw/zinc/29/63/24/776296324.db2.gz ONMQVPYGCYBUIW-GHMZBOCLSA-N 0 3 296.327 -1.006 20 0 CAADHN O=C(N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O)c1cnc[n-]c1=O ZINC001090349319 776296649 /nfs/dbraw/zinc/29/66/49/776296649.db2.gz KSCKZFGHDQOCOF-GHMZBOCLSA-N 0 3 296.327 -1.270 20 0 CAADHN O=C(N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)c1cnc[n-]c1=O ZINC001090349319 776296652 /nfs/dbraw/zinc/29/66/52/776296652.db2.gz KSCKZFGHDQOCOF-GHMZBOCLSA-N 0 3 296.327 -1.270 20 0 CAADHN O=C(N[C@H]1CCN(CCO)C[C@H]1O)c1cnc[nH]c1=O ZINC001090348014 776297556 /nfs/dbraw/zinc/29/75/56/776297556.db2.gz ANRQJVPAFJAPTC-VHSXEESVSA-N 0 3 282.300 -1.661 20 0 CAADHN O=C(N[C@@H]1CCN(CCO)C[C@@H]1O)c1cnc[nH]c1=O ZINC001090348015 776297691 /nfs/dbraw/zinc/29/76/91/776297691.db2.gz ANRQJVPAFJAPTC-ZJUUUORDSA-N 0 3 282.300 -1.661 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001079528029 776305853 /nfs/dbraw/zinc/30/58/53/776305853.db2.gz QGZZVGLJWMYBGI-IJLUTSLNSA-N 0 3 271.361 -1.254 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001079649620 776308704 /nfs/dbraw/zinc/30/87/04/776308704.db2.gz PPBOEMHOGUSJIP-HLTSFMKQSA-N 0 3 257.290 -1.476 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001079649621 776308740 /nfs/dbraw/zinc/30/87/40/776308740.db2.gz PPBOEMHOGUSJIP-IWSPIJDZSA-N 0 3 257.290 -1.476 20 0 CAADHN O=C(CNC(=O)C1CC1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099705283 776314705 /nfs/dbraw/zinc/31/47/05/776314705.db2.gz XYAIOBDKIHBVAZ-NWDGAFQWSA-N 0 3 299.371 -1.554 20 0 CAADHN CCN(C(=O)CN(C)C(C)C)C1CN(C(=O)C(N)=O)C1 ZINC001079930153 776316021 /nfs/dbraw/zinc/31/60/21/776316021.db2.gz CUMCYGYWJPJPBN-UHFFFAOYSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CCC(=O)NC1 ZINC001080017663 776316511 /nfs/dbraw/zinc/31/65/11/776316511.db2.gz RMNDESYUSLZJEP-GMTAPVOTSA-N 0 3 269.345 -1.059 20 0 CAADHN CCCN(C)CC(=O)N(CC)C1CN(C(=O)C(N)=O)C1 ZINC001080192549 776318581 /nfs/dbraw/zinc/31/85/81/776318581.db2.gz SEJMQCQQSAPNAR-UHFFFAOYSA-N 0 3 284.360 -1.127 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001080062847 776319927 /nfs/dbraw/zinc/31/99/27/776319927.db2.gz AFCMXIKNARZLQJ-NXEZZACHSA-N 0 3 296.327 -1.622 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001080265009 776321580 /nfs/dbraw/zinc/32/15/80/776321580.db2.gz OAZXRHVTTMUZHN-OPRDCNLKSA-N 0 3 270.333 -1.561 20 0 CAADHN COCCN1C[C@@H](C)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001080258019 776322137 /nfs/dbraw/zinc/32/21/37/776322137.db2.gz LGGCVZXVCFNRLE-VXGBXAGGSA-N 0 3 298.387 -1.499 20 0 CAADHN COCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001080360663 776323508 /nfs/dbraw/zinc/32/35/08/776323508.db2.gz GKELUKYNPJTZNO-KXUCPTDWSA-N 0 3 270.333 -1.249 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001080346899 776323878 /nfs/dbraw/zinc/32/38/78/776323878.db2.gz VGLJAXKWSXNCCV-PSASIEDQSA-N 0 3 266.301 -1.188 20 0 CAADHN CCN(C(=O)C(N)=O)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001080399341 776326170 /nfs/dbraw/zinc/32/61/70/776326170.db2.gz KIOVMWKIEFLZLO-SNVBAGLBSA-N 0 3 282.344 -1.375 20 0 CAADHN CCN(C(=O)C(N)=O)C1CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001080404166 776328465 /nfs/dbraw/zinc/32/84/65/776328465.db2.gz WBSGVMSNHDVNLI-NSHDSACASA-N 0 3 296.371 -1.129 20 0 CAADHN CCN(C(=O)C(N)=O)C1CN(C(=O)CN(C)C(C)C)C1 ZINC001080407111 776328565 /nfs/dbraw/zinc/32/85/65/776328565.db2.gz OOPLSBCXEXMADW-UHFFFAOYSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@]1(C)CCNC1=O ZINC001080434910 776329780 /nfs/dbraw/zinc/32/97/80/776329780.db2.gz IDZKMXIYNVQMLB-GIPNMCIBSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001080436250 776330380 /nfs/dbraw/zinc/33/03/80/776330380.db2.gz QCPBAKPSKDCQPX-CHWFTXMASA-N 0 3 285.344 -1.552 20 0 CAADHN CCN(C(=O)CN1CC[C@@H](C)C1)C1CN(C(=O)C(N)=O)C1 ZINC001080559938 776331391 /nfs/dbraw/zinc/33/13/91/776331391.db2.gz RJDFWNJKZFJICS-SNVBAGLBSA-N 0 3 296.371 -1.127 20 0 CAADHN CCN(C(=O)CN1CC[C@H](C)C1)C1CN(C(=O)C(N)=O)C1 ZINC001080559937 776331607 /nfs/dbraw/zinc/33/16/07/776331607.db2.gz RJDFWNJKZFJICS-JTQLQIEISA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080750717 776335096 /nfs/dbraw/zinc/33/50/96/776335096.db2.gz MGUTVFOCHRRPAI-BBBLOLIVSA-N 0 3 292.343 -1.328 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080752366 776335466 /nfs/dbraw/zinc/33/54/66/776335466.db2.gz PJCYXYRCJHHIDF-KXUCPTDWSA-N 0 3 294.359 -1.082 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1CC(=O)N(C)C1=O ZINC001080771380 776336176 /nfs/dbraw/zinc/33/61/76/776336176.db2.gz GZBMCIRDORLAFO-NXEZZACHSA-N 0 3 298.343 -1.691 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080750753 776336377 /nfs/dbraw/zinc/33/63/77/776336377.db2.gz OFRDQVCHDASEAF-HRDYMLBCSA-N 0 3 280.332 -1.343 20 0 CAADHN Cc1ccc(=O)n(CC(=O)N[C@@H]2CN(CCO)C[C@H]2C)n1 ZINC001080821084 776338450 /nfs/dbraw/zinc/33/84/50/776338450.db2.gz JYIYBCBMKBSNKB-ZYHUDNBSSA-N 0 3 294.355 -1.019 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1ccc(=O)n(C)n1 ZINC001080898866 776338956 /nfs/dbraw/zinc/33/89/56/776338956.db2.gz UMXYCFHETVMXTR-MWLCHTKSSA-N 0 3 280.328 -1.177 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001080907796 776339744 /nfs/dbraw/zinc/33/97/44/776339744.db2.gz GTOHMIVLPNQKAY-RKDXNWHRSA-N 0 3 284.316 -2.033 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001080913277 776340047 /nfs/dbraw/zinc/34/00/47/776340047.db2.gz COLUUBIZQDTZOY-NXEZZACHSA-N 0 3 283.328 -1.436 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1cn(C)c(=O)n1C ZINC001081011318 776343693 /nfs/dbraw/zinc/34/36/93/776343693.db2.gz UGRBMGCZSTUWKT-NXEZZACHSA-N 0 3 282.344 -1.234 20 0 CAADHN C[C@@H](O)CN1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083935568 776365735 /nfs/dbraw/zinc/36/57/35/776365735.db2.gz CGSSKHPLTKDBQL-HLTSFMKQSA-N 0 3 269.305 -2.111 20 0 CAADHN CO[C@@H]1CN(CCO)C[C@H]1NC(=O)Cc1n[nH]c(C)n1 ZINC001081652158 776379296 /nfs/dbraw/zinc/37/92/96/776379296.db2.gz QIMAHYOFFDYNKM-NXEZZACHSA-N 0 3 283.332 -1.537 20 0 CAADHN CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081674046 776380734 /nfs/dbraw/zinc/38/07/34/776380734.db2.gz WZPRBRURTVGGJT-NXEZZACHSA-N 0 3 268.321 -1.103 20 0 CAADHN CCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](OC)C1 ZINC001081807930 776396204 /nfs/dbraw/zinc/39/62/04/776396204.db2.gz PIXMITJZHNVOLH-DJLDLDEBSA-N 0 3 284.316 -1.580 20 0 CAADHN CCCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](OC)C1 ZINC001081807982 776396537 /nfs/dbraw/zinc/39/65/37/776396537.db2.gz RLVJGROCMHMPBD-IVZWLZJFSA-N 0 3 298.343 -1.190 20 0 CAADHN CO[C@@H]1CN(C[C@H](C)O)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001081888248 776399276 /nfs/dbraw/zinc/39/92/76/776399276.db2.gz PLTMQZQPGFKPCI-FXBDTBDDSA-N 0 3 269.305 -1.386 20 0 CAADHN CO[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)c1[n-]nnc1C ZINC001082012162 776400663 /nfs/dbraw/zinc/40/06/63/776400663.db2.gz XIVGQSVFBHPDRS-NXEZZACHSA-N 0 3 283.332 -1.075 20 0 CAADHN CO[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)c1[n-]nnc1C ZINC001082012162 776400669 /nfs/dbraw/zinc/40/06/69/776400669.db2.gz XIVGQSVFBHPDRS-NXEZZACHSA-N 0 3 283.332 -1.075 20 0 CAADHN COCCN1C[C@@H](NC(=O)c2ncn[nH]2)[C@H](OC)C1 ZINC001082249206 776408789 /nfs/dbraw/zinc/40/87/89/776408789.db2.gz LYAYFBPJXSJZLZ-RKDXNWHRSA-N 0 3 269.305 -1.120 20 0 CAADHN COCCN1C[C@@H](NC(=O)c2nc[nH]n2)[C@H](OC)C1 ZINC001082249206 776408794 /nfs/dbraw/zinc/40/87/94/776408794.db2.gz LYAYFBPJXSJZLZ-RKDXNWHRSA-N 0 3 269.305 -1.120 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](OC)C1 ZINC001082244635 776409030 /nfs/dbraw/zinc/40/90/30/776409030.db2.gz AXFPIKFLPZFSHM-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN CO[C@@H]1CN(CCO)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001082250202 776409165 /nfs/dbraw/zinc/40/91/65/776409165.db2.gz FWKWWOAAZMZORA-HTQZYQBOSA-N 0 3 255.278 -1.774 20 0 CAADHN CO[C@@H]1CN(CCO)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001082250202 776409170 /nfs/dbraw/zinc/40/91/70/776409170.db2.gz FWKWWOAAZMZORA-HTQZYQBOSA-N 0 3 255.278 -1.774 20 0 CAADHN CO[C@@H]1CN(C[C@@H](C)O)C[C@H]1NC(=O)c1nnc[nH]1 ZINC001082248799 776409711 /nfs/dbraw/zinc/40/97/11/776409711.db2.gz DBLRSRAOIAMXIU-IWSPIJDZSA-N 0 3 269.305 -1.386 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CCN(CCOC)C[C@@H]1O ZINC001099737743 776410478 /nfs/dbraw/zinc/41/04/78/776410478.db2.gz DBAYCRWGBAUQIT-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CCN1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](OC)C1 ZINC001082367264 776412068 /nfs/dbraw/zinc/41/20/68/776412068.db2.gz VNIIMLJPCSLUIQ-NXEZZACHSA-N 0 3 296.327 -1.065 20 0 CAADHN CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001082360909 776412437 /nfs/dbraw/zinc/41/24/37/776412437.db2.gz ZNPUSRLXBCILAG-NXEZZACHSA-N 0 3 298.343 -1.238 20 0 CAADHN CO[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1CCCC1 ZINC001082370247 776412839 /nfs/dbraw/zinc/41/28/39/776412839.db2.gz YSPKAHKBLAIUPO-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1N[C@H]1CCNC1=O ZINC001082419787 776413826 /nfs/dbraw/zinc/41/38/26/776413826.db2.gz VPYQBPIUHSUCRC-KXUCPTDWSA-N 0 3 293.331 -2.002 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C)C(N)=O ZINC001082418764 776414148 /nfs/dbraw/zinc/41/41/48/776414148.db2.gz VKWWQFNLDREQOB-HRDYMLBCSA-N 0 3 281.320 -2.017 20 0 CAADHN OC[C@@H]1CN(c2ncc3c(n2)CCNC3)C[C@H]1O ZINC001164533727 776414278 /nfs/dbraw/zinc/41/42/78/776414278.db2.gz VVASAWAGZWNXDF-GXSJLCMTSA-N 0 3 250.302 -1.088 20 0 CAADHN OC[C@H]1CN(c2ncc3c(n2)CCNC3)C[C@H]1O ZINC001164533729 776414340 /nfs/dbraw/zinc/41/43/40/776414340.db2.gz VVASAWAGZWNXDF-MWLCHTKSSA-N 0 3 250.302 -1.088 20 0 CAADHN OC[C@H]1CN(c2cc3c(nn2)CCNC3)C[C@H]1O ZINC001164545596 776414467 /nfs/dbraw/zinc/41/44/67/776414467.db2.gz UNZQQPIIYJEOKH-MWLCHTKSSA-N 0 3 250.302 -1.088 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C)C(N)=O ZINC001082426072 776414589 /nfs/dbraw/zinc/41/45/89/776414589.db2.gz RFRNYBURXMXILV-OUAUKWLOSA-N 0 3 294.359 -1.022 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C)C(N)=O ZINC001082419781 776414604 /nfs/dbraw/zinc/41/46/04/776414604.db2.gz USDFZMPDACAAMN-OUAUKWLOSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082454219 776415446 /nfs/dbraw/zinc/41/54/46/776415446.db2.gz GMJUCFFGANHKCQ-KXUCPTDWSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)n1cncn1 ZINC001082481849 776415463 /nfs/dbraw/zinc/41/54/63/776415463.db2.gz SGULFPDMWAKHRG-KXUCPTDWSA-N 0 3 280.332 -1.239 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1N[C@H]1CCNC1=O ZINC001082454059 776415540 /nfs/dbraw/zinc/41/55/40/776415540.db2.gz QOFLQCDFIIEJKD-HRDYMLBCSA-N 0 3 268.317 -1.813 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C)C(N)=O ZINC001082454203 776415562 /nfs/dbraw/zinc/41/55/62/776415562.db2.gz FMSZAUOLHWPXEQ-BWZBUEFSSA-N 0 3 256.306 -1.828 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1NCC(N)=O ZINC001082430764 776415595 /nfs/dbraw/zinc/41/55/95/776415595.db2.gz CGSVZNTYFDYRBX-OPRDCNLKSA-N 0 3 271.317 -1.676 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C)C(N)=O ZINC001082452965 776415678 /nfs/dbraw/zinc/41/56/78/776415678.db2.gz ZGGKJAICWFASPK-HRDYMLBCSA-N 0 3 292.343 -1.017 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082454220 776415791 /nfs/dbraw/zinc/41/57/91/776415791.db2.gz GMJUCFFGANHKCQ-OPRDCNLKSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C)C(N)=O ZINC001082481240 776415806 /nfs/dbraw/zinc/41/58/06/776415806.db2.gz MIJDFUXJUGJYQB-IJLUTSLNSA-N 0 3 298.387 -1.371 20 0 CAADHN COCCOCC(=O)N[C@@H]1CCN(CCOC)C[C@@H]1O ZINC001099746234 776415947 /nfs/dbraw/zinc/41/59/47/776415947.db2.gz FLSPBUDWULEILI-NEPJUHHUSA-N 0 3 290.360 -1.153 20 0 CAADHN COCCOCC(=O)N[C@H]1CCN(CCOC)C[C@@H]1O ZINC001099746236 776415966 /nfs/dbraw/zinc/41/59/66/776415966.db2.gz FLSPBUDWULEILI-RYUDHWBXSA-N 0 3 290.360 -1.153 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C)C(N)=O ZINC001082454204 776416008 /nfs/dbraw/zinc/41/60/08/776416008.db2.gz FMSZAUOLHWPXEQ-GJMOJQLCSA-N 0 3 256.306 -1.828 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1NCC(N)=O ZINC001082482924 776416074 /nfs/dbraw/zinc/41/60/74/776416074.db2.gz YTOPLKTZMXBBRE-GMTAPVOTSA-N 0 3 284.360 -1.761 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1NCC(N)=O ZINC001082444627 776416177 /nfs/dbraw/zinc/41/61/77/776416177.db2.gz QGVPKQMHEKRNOD-OPRDCNLKSA-N 0 3 255.318 -1.055 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1NCC(N)=O ZINC001082448862 776416206 /nfs/dbraw/zinc/41/62/06/776416206.db2.gz JYDYHUXGOFDVJP-IWSPIJDZSA-N 0 3 268.317 -1.813 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C)C(N)=O ZINC001082487668 776416752 /nfs/dbraw/zinc/41/67/52/776416752.db2.gz IUSMDGTZMWRSDV-HRDYMLBCSA-N 0 3 296.327 -1.098 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C)C(N)=O ZINC001082514302 776416883 /nfs/dbraw/zinc/41/68/83/776416883.db2.gz XHNVIQXTEHTGIU-IWSPIJDZSA-N 0 3 281.320 -2.017 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082513950 776416998 /nfs/dbraw/zinc/41/69/98/776416998.db2.gz VKEOLGVXFFUDOI-OPRDCNLKSA-N 0 3 293.331 -2.002 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1NCC(N)=O ZINC001082542599 776417303 /nfs/dbraw/zinc/41/73/03/776417303.db2.gz OCXLHKBLUQOGND-KXUCPTDWSA-N 0 3 282.344 -1.614 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C2)C1 ZINC001082489833 776417330 /nfs/dbraw/zinc/41/73/30/776417330.db2.gz KRYZUUYICRZGRG-KBVBSXBZSA-N 0 3 296.371 -1.225 20 0 CAADHN C[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1NCC(N)=O ZINC001082508220 776417414 /nfs/dbraw/zinc/41/74/14/776417414.db2.gz USOFERKPFYBSRJ-GMTAPVOTSA-N 0 3 285.344 -1.286 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C)C(N)=O ZINC001082514301 776417455 /nfs/dbraw/zinc/41/74/55/776417455.db2.gz XHNVIQXTEHTGIU-HRDYMLBCSA-N 0 3 281.320 -2.017 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1N[C@H]1CCNC1=O ZINC001082513949 776417463 /nfs/dbraw/zinc/41/74/63/776417463.db2.gz VKEOLGVXFFUDOI-KXUCPTDWSA-N 0 3 293.331 -2.002 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1N[C@H]1CCNC1=O ZINC001082535143 776417470 /nfs/dbraw/zinc/41/74/70/776417470.db2.gz YIVRIJZNGPZHJK-OUAUKWLOSA-N 0 3 292.343 -1.397 20 0 CAADHN CO[C@H](C)CN1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083935943 776417530 /nfs/dbraw/zinc/41/75/30/776417530.db2.gz VMYZUMCBJMWVCE-BBBLOLIVSA-N 0 3 283.332 -1.457 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C)C(N)=O ZINC001082498967 776417589 /nfs/dbraw/zinc/41/75/89/776417589.db2.gz DYOBQWWWFKHEKQ-IWSPIJDZSA-N 0 3 280.332 -1.261 20 0 CAADHN CCC(=O)NCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099747408 776417635 /nfs/dbraw/zinc/41/76/35/776417635.db2.gz XGEQHXBLAGRTEB-QWRGUYRKSA-N 0 3 287.360 -1.554 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C)C(N)=O ZINC001082534790 776417703 /nfs/dbraw/zinc/41/77/03/776417703.db2.gz RDINUNXFPXTRSP-KXUCPTDWSA-N 0 3 280.332 -1.412 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082608417 776418316 /nfs/dbraw/zinc/41/83/16/776418316.db2.gz WBILXXZBGZWCDY-IJLUTSLNSA-N 0 3 298.387 -1.371 20 0 CAADHN CC[C@]1(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)CCNC1=O ZINC001082572127 776418419 /nfs/dbraw/zinc/41/84/19/776418419.db2.gz OQLPBYGMSQQZMF-RULNRJAQSA-N 0 3 296.371 -1.176 20 0 CAADHN CC[C@@]1(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)CCNC1=O ZINC001082572126 776418451 /nfs/dbraw/zinc/41/84/51/776418451.db2.gz OQLPBYGMSQQZMF-GPCCPHFNSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C(=O)C2)C[C@H]1NCC(N)=O ZINC001082599742 776418639 /nfs/dbraw/zinc/41/86/39/776418639.db2.gz ICOBGXYWHDHGPM-GMTAPVOTSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1N[C@@H]1CCNC1=O ZINC001082573992 776418857 /nfs/dbraw/zinc/41/88/57/776418857.db2.gz MZTPLIHVGPDTKF-OPRDCNLKSA-N 0 3 296.371 -1.177 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@H]2CCN(C)C2=O)C[C@H]1NCC(N)=O ZINC001082581213 776419020 /nfs/dbraw/zinc/41/90/20/776419020.db2.gz BLYFPLKTKXXWFF-GMTAPVOTSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1NCC(N)=O ZINC001082611617 776419185 /nfs/dbraw/zinc/41/91/85/776419185.db2.gz PGOXJGKFPGTIEW-KXUCPTDWSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)C[C@H]1NCC(N)=O ZINC001082632358 776419613 /nfs/dbraw/zinc/41/96/13/776419613.db2.gz UEXNDYQYHCWJSC-GMTAPVOTSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)CC2)C[C@H]1NCC(N)=O ZINC001082665287 776419831 /nfs/dbraw/zinc/41/98/31/776419831.db2.gz GGRPIICPMCQADW-GMTAPVOTSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1NCC(N)=O ZINC001082684904 776419870 /nfs/dbraw/zinc/41/98/70/776419870.db2.gz TVOUFNNNKSCBFC-IWSPIJDZSA-N 0 3 283.332 -2.068 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2CCCC(=O)N2)C[C@H]1NCC(N)=O ZINC001082632359 776420005 /nfs/dbraw/zinc/42/00/05/776420005.db2.gz UEXNDYQYHCWJSC-OUAUKWLOSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1NCC(N)=O ZINC001082660157 776420515 /nfs/dbraw/zinc/42/05/15/776420515.db2.gz PREZBTFZTSZQCU-KKFJDGPESA-N 0 3 282.344 -1.566 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2cnc(N)n2)C1 ZINC001118989817 776420614 /nfs/dbraw/zinc/42/06/14/776420614.db2.gz FAFZDZRBFXGXLH-SECBINFHSA-N 0 3 268.321 -1.303 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1NCC(N)=O ZINC001082694600 776421403 /nfs/dbraw/zinc/42/14/03/776421403.db2.gz XOJSREVQISCYMN-KXUCPTDWSA-N 0 3 282.344 -1.614 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@]2(C)CCC(=O)NC2)C[C@H]1NCC(N)=O ZINC001082697366 776421634 /nfs/dbraw/zinc/42/16/34/776421634.db2.gz APYRCVNAOBBZFU-RULNRJAQSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1NCC(N)=O ZINC001082725139 776421753 /nfs/dbraw/zinc/42/17/53/776421753.db2.gz MONCKGWTOHIWRR-KKFJDGPESA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1NCC(N)=O ZINC001082694601 776421861 /nfs/dbraw/zinc/42/18/61/776421861.db2.gz XOJSREVQISCYMN-OPRDCNLKSA-N 0 3 282.344 -1.614 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1N[C@@H]1CCCN(C)C1=O ZINC001082716081 776421872 /nfs/dbraw/zinc/42/18/72/776421872.db2.gz IWBVXGPYLCHUSU-OPRDCNLKSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCC(N)=O ZINC001082738787 776421964 /nfs/dbraw/zinc/42/19/64/776421964.db2.gz FPIBRFIIPXLWBC-DOLQZWNJSA-N 0 3 298.343 -2.059 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1NCC(N)=O ZINC001082683723 776421976 /nfs/dbraw/zinc/42/19/76/776421976.db2.gz UZYRTQKJFGYTHW-HRDYMLBCSA-N 0 3 268.317 -1.956 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1NCCF ZINC001082769321 776422167 /nfs/dbraw/zinc/42/21/67/776422167.db2.gz XJLBGFPRGBWWSY-HRDYMLBCSA-N 0 3 286.307 -1.010 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C)C(N)=O ZINC001082805684 776422182 /nfs/dbraw/zinc/42/21/82/776422182.db2.gz WJFPIAIFZJBWIB-KHQFGBGNSA-N 0 3 280.332 -1.261 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCCCC(=O)N2)C[C@H]1NCC(N)=O ZINC001082734663 776422231 /nfs/dbraw/zinc/42/22/31/776422231.db2.gz SNFPNJPEOBKBOQ-OUAUKWLOSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1NCC(N)=O ZINC001082700300 776422276 /nfs/dbraw/zinc/42/22/76/776422276.db2.gz MLACLSQKKAKZTO-OPRDCNLKSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C[C@H]1NCC(N)=O ZINC001082746145 776422322 /nfs/dbraw/zinc/42/23/22/776422322.db2.gz MFXZTHZYCQCEJG-CHWFTXMASA-N 0 3 296.371 -1.368 20 0 CAADHN C[C@@H]([NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C)C(N)=O ZINC001082814495 776424163 /nfs/dbraw/zinc/42/41/63/776424163.db2.gz SLTKDWJKIGCARU-BWZBUEFSSA-N 0 3 266.305 -1.271 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C)C(N)=O ZINC001082905551 776425337 /nfs/dbraw/zinc/42/53/37/776425337.db2.gz KNOXHPDQGKFLAW-OPRDCNLKSA-N 0 3 280.332 -1.412 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001090392224 776426333 /nfs/dbraw/zinc/42/63/33/776426333.db2.gz REGJEGASRFCPDK-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN CCN1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)C1 ZINC001082933715 776426368 /nfs/dbraw/zinc/42/63/68/776426368.db2.gz GTCPWLIZFZABRP-UTUOFQBUSA-N 0 3 298.387 -1.371 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001090392226 776426535 /nfs/dbraw/zinc/42/65/35/776426535.db2.gz REGJEGASRFCPDK-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082949645 776427294 /nfs/dbraw/zinc/42/72/94/776427294.db2.gz ZJVQWLDSRRSNCJ-YUSALJHKSA-N 0 3 296.371 -1.081 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 ZINC001090392228 776427356 /nfs/dbraw/zinc/42/73/56/776427356.db2.gz REGJEGASRFCPDK-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN CCC(=O)N1CCO[C@@H](CNCCNS(C)(=O)=O)C1 ZINC001273208505 776427418 /nfs/dbraw/zinc/42/74/18/776427418.db2.gz OKWDEJJSUHFFGQ-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN O=C(Cn1cnnn1)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC001082995249 776428224 /nfs/dbraw/zinc/42/82/24/776428224.db2.gz WSUGMDRXBBVQRD-NWDGAFQWSA-N 0 3 292.343 -1.005 20 0 CAADHN COCC[C@H](N)C(=O)N[C@]1(C(=O)OC)CCOC1 ZINC001119297553 776428336 /nfs/dbraw/zinc/42/83/36/776428336.db2.gz OTFVNOUXUSEYHX-GZMMTYOYSA-N 0 3 260.290 -1.202 20 0 CAADHN COCC[C@@H](N)C(=O)N[C@@]1(C(=O)OC)CCOC1 ZINC001119297554 776428558 /nfs/dbraw/zinc/42/85/58/776428558.db2.gz OTFVNOUXUSEYHX-KCJUWKMLSA-N 0 3 260.290 -1.202 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCO[C@@H]2CN(CCO)C[C@@H]21 ZINC001083023806 776429697 /nfs/dbraw/zinc/42/96/97/776429697.db2.gz PRAOPPQCSSRXCG-RWMBFGLXSA-N 0 3 283.372 -1.016 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H]2CN(CC3CCOCC3)C[C@@H]21 ZINC001083181360 776436683 /nfs/dbraw/zinc/43/66/83/776436683.db2.gz BERLWJGLEFFMTC-NWDGAFQWSA-N 0 3 297.355 -1.190 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001083948096 776438154 /nfs/dbraw/zinc/43/81/54/776438154.db2.gz NMTMSIHUBBONHO-ZJUUUORDSA-N 0 3 298.343 -1.548 20 0 CAADHN CCC[N@H+]1C[C@@H](NC(=O)Cc2nnc[n-]2)[C@@H](O)C1 ZINC001083936560 776438203 /nfs/dbraw/zinc/43/82/03/776438203.db2.gz SIGMDICLGVVRAV-BDAKNGLRSA-N 0 3 253.306 -1.082 20 0 CAADHN CCC[N@@H+]1C[C@@H](NC(=O)Cc2nnc[n-]2)[C@@H](O)C1 ZINC001083936560 776438208 /nfs/dbraw/zinc/43/82/08/776438208.db2.gz SIGMDICLGVVRAV-BDAKNGLRSA-N 0 3 253.306 -1.082 20 0 CAADHN COC[C@@H](C)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083936366 776438305 /nfs/dbraw/zinc/43/83/05/776438305.db2.gz JSKIDCIUIJLNRC-BBBLOLIVSA-N 0 3 283.332 -1.457 20 0 CAADHN CC(C)[N@H+]1C[C@@H](NC(=O)Cc2nnc[n-]2)[C@@H](O)C1 ZINC001083936318 776438637 /nfs/dbraw/zinc/43/86/37/776438637.db2.gz IBSJNSXVONKFPT-BDAKNGLRSA-N 0 3 253.306 -1.083 20 0 CAADHN CC(C)[N@@H+]1C[C@@H](NC(=O)Cc2nnc[n-]2)[C@@H](O)C1 ZINC001083936318 776438638 /nfs/dbraw/zinc/43/86/38/776438638.db2.gz IBSJNSXVONKFPT-BDAKNGLRSA-N 0 3 253.306 -1.083 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083972246 776439738 /nfs/dbraw/zinc/43/97/38/776439738.db2.gz QECVFUVIIMIZIB-AEJSXWLSSA-N 0 3 255.318 -1.164 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001084035378 776441280 /nfs/dbraw/zinc/44/12/80/776441280.db2.gz OXDDTCRAIABHTI-ZJUUUORDSA-N 0 3 296.327 -1.891 20 0 CAADHN Cc1nn(CC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2O)c(=O)n1C ZINC001084013054 776441987 /nfs/dbraw/zinc/44/19/87/776441987.db2.gz LGWBIYTUPQYJIP-MNOVXSKESA-N 0 3 297.359 -1.540 20 0 CAADHN CCCN1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](O)C1 ZINC001084051361 776443993 /nfs/dbraw/zinc/44/39/93/776443993.db2.gz HMEBYKJCNUNQFX-ZJUUUORDSA-N 0 3 296.327 -1.329 20 0 CAADHN Cc1nccn1CC(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001084060296 776445268 /nfs/dbraw/zinc/44/52/68/776445268.db2.gz QJIBGEPMEMKPGC-MNOVXSKESA-N 0 3 268.317 -1.655 20 0 CAADHN COCCN1C[C@@H](NC(=O)Cn2ccnc2C)[C@@H](O)C1 ZINC001084059441 776445416 /nfs/dbraw/zinc/44/54/16/776445416.db2.gz IXIRWZJFNVGINZ-NEPJUHHUSA-N 0 3 282.344 -1.001 20 0 CAADHN O=C(CN1CCCC1)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001084058078 776445912 /nfs/dbraw/zinc/44/59/12/776445912.db2.gz JBSZBSUOWBONSY-MNOVXSKESA-N 0 3 257.334 -1.764 20 0 CAADHN O=C(CN1CCCC1)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001084058317 776446069 /nfs/dbraw/zinc/44/60/69/776446069.db2.gz UVNCDLLDDYERJF-NEPJUHHUSA-N 0 3 271.361 -1.374 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068769 776446118 /nfs/dbraw/zinc/44/61/18/776446118.db2.gz IBKKEWLIGMIPOP-AEJSXWLSSA-N 0 3 291.373 -1.751 20 0 CAADHN Cc1nccn1CC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@@H]1O ZINC001084059549 776446216 /nfs/dbraw/zinc/44/62/16/776446216.db2.gz NMEUBSKQLSXBOH-WCQGTBRESA-N 0 3 282.344 -1.266 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001084073421 776447036 /nfs/dbraw/zinc/44/70/36/776447036.db2.gz UHEMBNNGOURGAY-UPJWGTAASA-N 0 3 299.371 -1.197 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)n(C)c1=O ZINC001084097210 776448552 /nfs/dbraw/zinc/44/85/52/776448552.db2.gz IWEDICSRJVSNLQ-PWSUYJOCSA-N 0 3 294.355 -1.091 20 0 CAADHN NC(=O)CC(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084243630 776450646 /nfs/dbraw/zinc/45/06/46/776450646.db2.gz OQCPVIAWBBBZOO-NXEZZACHSA-N 0 3 255.318 -1.223 20 0 CAADHN COCCN1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084348064 776451844 /nfs/dbraw/zinc/45/18/44/776451844.db2.gz OCWGLSDFLQMEQZ-GHMZBOCLSA-N 0 3 280.332 -1.148 20 0 CAADHN NC(=O)[C@H]1CN(c2cc3c(nn2)CCNC3)CCN1 ZINC001166725295 776454041 /nfs/dbraw/zinc/45/40/41/776454041.db2.gz JUJVFDQVICFZQU-SNVBAGLBSA-N 0 3 262.317 -1.614 20 0 CAADHN CCN1CC[C@@H]2CN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001084573796 776454938 /nfs/dbraw/zinc/45/49/38/776454938.db2.gz BAHDWTHHMOCVMW-VXGBXAGGSA-N 0 3 280.372 -1.029 20 0 CAADHN CN1C[C@H](C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)NC1=O ZINC001084577812 776455631 /nfs/dbraw/zinc/45/56/31/776455631.db2.gz YFFNLHYIIYSHOR-IJLUTSLNSA-N 0 3 296.371 -1.075 20 0 CAADHN O=C(CCn1cnnn1)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084737813 776458661 /nfs/dbraw/zinc/45/86/61/776458661.db2.gz CORXPRDYIDZXFW-VXGBXAGGSA-N 0 3 294.359 -1.022 20 0 CAADHN CS(=O)(=O)N(c1ncnc2c1CNC2)C1CNC1 ZINC001166967447 776459532 /nfs/dbraw/zinc/45/95/32/776459532.db2.gz LQKSYVZQVILRIN-UHFFFAOYSA-N 0 3 269.330 -1.182 20 0 CAADHN Cn1cnc(CCCNS(=O)(=O)N2CCNCC2)n1 ZINC001119617607 776460572 /nfs/dbraw/zinc/46/05/72/776460572.db2.gz RSELXYDYRBQQBM-UHFFFAOYSA-N 0 3 288.377 -1.513 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001084766282 776460637 /nfs/dbraw/zinc/46/06/37/776460637.db2.gz QRMMRRPOGDYUNR-OPRDCNLKSA-N 0 3 292.343 -1.246 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)COC ZINC001273230402 776461165 /nfs/dbraw/zinc/46/11/65/776461165.db2.gz WWDDBVOFRQVNOF-UHFFFAOYSA-N 0 3 260.294 -1.734 20 0 CAADHN CCOCCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001273235905 776461418 /nfs/dbraw/zinc/46/14/18/776461418.db2.gz DXZQZBGWUURQCL-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN COCCOCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001273238426 776461843 /nfs/dbraw/zinc/46/18/43/776461843.db2.gz XTOKEUSYQJJJCI-SNVBAGLBSA-N 0 3 289.332 -2.048 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001084874479 776462016 /nfs/dbraw/zinc/46/20/16/776462016.db2.gz VRZZPHCHBGYGON-OUAUKWLOSA-N 0 3 295.339 -1.436 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001099839126 776462094 /nfs/dbraw/zinc/46/20/94/776462094.db2.gz YHGRSCPOUFOHPS-QWRGUYRKSA-N 0 3 298.347 -1.739 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CNC(C)=O ZINC001273242652 776462116 /nfs/dbraw/zinc/46/21/16/776462116.db2.gz CQWBQBUPTLOADY-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001099839127 776462163 /nfs/dbraw/zinc/46/21/63/776462163.db2.gz YHGRSCPOUFOHPS-WDEREUQCSA-N 0 3 298.347 -1.739 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CNC(C)=O ZINC001273242653 776462180 /nfs/dbraw/zinc/46/21/80/776462180.db2.gz CQWBQBUPTLOADY-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN NC(=O)CC(=O)N1CCO[C@H](CNCC(=O)N2CCC2)C1 ZINC001273236850 776462192 /nfs/dbraw/zinc/46/21/92/776462192.db2.gz MSBKNFMVEXBRIA-SNVBAGLBSA-N 0 3 298.343 -2.089 20 0 CAADHN CN(Cc1ncc[nH]1)C(=O)C(=O)N1CCNCCNCC1 ZINC001119705040 776462377 /nfs/dbraw/zinc/46/23/77/776462377.db2.gz MJVSREJHHNAMEU-UHFFFAOYSA-N 0 3 294.359 -1.611 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](O)C1 ZINC001090401772 776462663 /nfs/dbraw/zinc/46/26/63/776462663.db2.gz DADRCWPUXGPPRS-VHSXEESVSA-N 0 3 296.327 -1.480 20 0 CAADHN COCCOCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001273238425 776462867 /nfs/dbraw/zinc/46/28/67/776462867.db2.gz XTOKEUSYQJJJCI-JTQLQIEISA-N 0 3 289.332 -2.048 20 0 CAADHN CCN1CC[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001099861431 776463476 /nfs/dbraw/zinc/46/34/76/776463476.db2.gz SKNAMAHCPFHTCU-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN CCN1CC[C@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001099861429 776464514 /nfs/dbraw/zinc/46/45/14/776464514.db2.gz SKNAMAHCPFHTCU-UWVGGRQHSA-N 0 3 293.389 -1.503 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](O)C1 ZINC001099860632 776464564 /nfs/dbraw/zinc/46/45/64/776464564.db2.gz FPBCUTXEGDTZPW-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 ZINC001099863780 776465899 /nfs/dbraw/zinc/46/58/99/776465899.db2.gz OCPAOIDHMKEXPQ-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN CN(C)C1(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2O)CCC1 ZINC001099871690 776465955 /nfs/dbraw/zinc/46/59/55/776465955.db2.gz JGUYKBCHXSGAGO-QWRGUYRKSA-N 0 3 298.387 -1.493 20 0 CAADHN CCN1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001099863782 776466028 /nfs/dbraw/zinc/46/60/28/776466028.db2.gz OCPAOIDHMKEXPQ-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001099864147 776466148 /nfs/dbraw/zinc/46/61/48/776466148.db2.gz PRPAPPVUZYOGLG-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)NCc1cn(C[C@@H]2CNCCO2)nn1 ZINC001120087269 776467186 /nfs/dbraw/zinc/46/71/86/776467186.db2.gz FMEREDVLFZHBJU-VIFPVBQESA-N 0 3 254.294 -1.305 20 0 CAADHN COC[C@@H](CCNS(=O)(=O)C1CNC1)OC ZINC000822163996 776467524 /nfs/dbraw/zinc/46/75/24/776467524.db2.gz AFLVQXKUESOESC-MRVPVSSYSA-N 0 3 252.336 -1.071 20 0 CAADHN C[C@@](Cn1cccn1)(NC[C@H]1CNCCO1)C(N)=O ZINC001120266978 776468281 /nfs/dbraw/zinc/46/82/81/776468281.db2.gz XKHXDSKGDOARLC-PWSUYJOCSA-N 0 3 267.333 -1.295 20 0 CAADHN Cn1nncc1C(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001085187579 776468789 /nfs/dbraw/zinc/46/87/89/776468789.db2.gz NEVOCSPQHJLXGA-RKDXNWHRSA-N 0 3 280.332 -1.069 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001085150567 776468802 /nfs/dbraw/zinc/46/88/02/776468802.db2.gz NJBVMOYJTVIXPS-OPRDCNLKSA-N 0 3 282.344 -1.233 20 0 CAADHN CN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000823770581 776468962 /nfs/dbraw/zinc/46/89/62/776468962.db2.gz AMPITOFYJZPDMO-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COCCO1 ZINC001085139679 776469152 /nfs/dbraw/zinc/46/91/52/776469152.db2.gz WWNGIMMBDCBSCJ-GMTAPVOTSA-N 0 3 285.344 -1.096 20 0 CAADHN CON(C)C(=O)CNC[C@H](O)C[C@]1(O)CCOC1 ZINC001120273148 776469194 /nfs/dbraw/zinc/46/91/94/776469194.db2.gz MLDNTNGTTKBRKZ-MWLCHTKSSA-N 0 3 262.306 -1.502 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085182578 776469326 /nfs/dbraw/zinc/46/93/26/776469326.db2.gz HWSLRVKEFCDMIM-VXGBXAGGSA-N 0 3 296.371 -1.033 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085159289 776469349 /nfs/dbraw/zinc/46/93/49/776469349.db2.gz ODMNSTWKPWDUME-IJLUTSLNSA-N 0 3 298.387 -1.181 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CCC(=O)N1 ZINC001273297805 776476777 /nfs/dbraw/zinc/47/67/77/776476777.db2.gz BYWAMCIMBSOFSP-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001085199502 776479455 /nfs/dbraw/zinc/47/94/55/776479455.db2.gz PATLUJOXRIRNJL-RKDXNWHRSA-N 0 3 281.320 -1.825 20 0 CAADHN COCCN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000824413203 776479757 /nfs/dbraw/zinc/47/97/57/776479757.db2.gz VUKCMNSCYJPESR-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCCNC1=O ZINC001085317559 776479843 /nfs/dbraw/zinc/47/98/43/776479843.db2.gz FYOFAIHBYQNDOX-OPRDCNLKSA-N 0 3 282.344 -1.233 20 0 CAADHN CN1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1=O ZINC001085302590 776480743 /nfs/dbraw/zinc/48/07/43/776480743.db2.gz WEBNMRMIWSCMPW-GMTAPVOTSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCNC1=O ZINC001085317306 776480871 /nfs/dbraw/zinc/48/08/71/776480871.db2.gz TYHPPAOUQIXURV-HLTSFMKQSA-N 0 3 268.317 -1.623 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCC(=O)NC1=O ZINC001085317643 776481697 /nfs/dbraw/zinc/48/16/97/776481697.db2.gz IRQYHYDJJJQILR-IWSPIJDZSA-N 0 3 296.327 -1.706 20 0 CAADHN CC(C)OCCCN1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099974078 776481789 /nfs/dbraw/zinc/48/17/89/776481789.db2.gz MXXDTHAKOKRHCW-MNOVXSKESA-N 0 3 287.360 -1.162 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)C1=O ZINC001085317820 776482116 /nfs/dbraw/zinc/48/21/16/776482116.db2.gz REKVMPFJNKLPEA-OPRDCNLKSA-N 0 3 282.344 -1.281 20 0 CAADHN CC(C)OCCCN1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099974079 776482209 /nfs/dbraw/zinc/48/22/09/776482209.db2.gz MXXDTHAKOKRHCW-QWRGUYRKSA-N 0 3 287.360 -1.162 20 0 CAADHN CNC(=O)C1(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC1 ZINC001273333228 776483723 /nfs/dbraw/zinc/48/37/23/776483723.db2.gz VPYOXUQJTSXDAJ-VIFPVBQESA-N 0 3 298.343 -2.185 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099974825 776483751 /nfs/dbraw/zinc/48/37/51/776483751.db2.gz WGEFWKJJGZMCRS-BDAKNGLRSA-N 0 3 259.306 -1.940 20 0 CAADHN CCN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980848 776484886 /nfs/dbraw/zinc/48/48/86/776484886.db2.gz KDOIFAWGXCBENX-BDAKNGLRSA-N 0 3 255.318 -1.177 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)CC1 ZINC001099980013 776485853 /nfs/dbraw/zinc/48/58/53/776485853.db2.gz AFNLCMLMPYDNRU-NXEZZACHSA-N 0 3 285.344 -1.814 20 0 CAADHN CCNC(=O)CC(=O)N(CC)CCNCC(N)=O ZINC001273341913 776487028 /nfs/dbraw/zinc/48/70/28/776487028.db2.gz WHOQOYUBKPJDGG-UHFFFAOYSA-N 0 3 258.322 -1.564 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000828578020 776488236 /nfs/dbraw/zinc/48/82/36/776488236.db2.gz WAWPAZHFFMLJBR-YNEHKIRRSA-N 0 3 285.388 -1.034 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000828578019 776488568 /nfs/dbraw/zinc/48/85/68/776488568.db2.gz WAWPAZHFFMLJBR-XQQFMLRXSA-N 0 3 285.388 -1.034 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016430483 776491327 /nfs/dbraw/zinc/49/13/27/776491327.db2.gz OEJFBWAPPPGVGE-NXEZZACHSA-N 0 3 283.328 -1.124 20 0 CAADHN Cc1ncc(CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O)o1 ZINC001129321508 776491422 /nfs/dbraw/zinc/49/14/22/776491422.db2.gz KFBCDPNULGKWPE-ZETCQYMHSA-N 0 3 297.315 -1.185 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCO[C@@H](CNCCF)C1 ZINC001273358353 776491755 /nfs/dbraw/zinc/49/17/55/776491755.db2.gz CMEREDDJXWWGQK-VIFPVBQESA-N 0 3 297.352 -1.678 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CO[C@H]1CCOC1 ZINC001273373821 776495755 /nfs/dbraw/zinc/49/57/55/776495755.db2.gz FHMGPLPBHDRNOJ-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN CC(=O)NC[C@H]1C[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001086008607 776496835 /nfs/dbraw/zinc/49/68/35/776496835.db2.gz WTCDOGDPQJSGAC-PHIMTYICSA-N 0 3 282.344 -1.551 20 0 CAADHN CCN(CCNCC(=O)NC1CC1)C(=O)Cn1ncnn1 ZINC001273382681 776496971 /nfs/dbraw/zinc/49/69/71/776496971.db2.gz VCLJITUCUDOQDA-UHFFFAOYSA-N 0 3 295.347 -1.610 20 0 CAADHN Cn1cncc1C(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090403298 776498916 /nfs/dbraw/zinc/49/89/16/776498916.db2.gz LBUPHOPPIFBIST-JQWIXIFHSA-N 0 3 282.344 -1.033 20 0 CAADHN Cn1nncc1CNCCCNC(=O)CS(C)(=O)=O ZINC001155301120 776500166 /nfs/dbraw/zinc/50/01/66/776500166.db2.gz DLUVXFJEQZGRSI-UHFFFAOYSA-N 0 3 289.361 -1.544 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)CC1 ZINC001100033855 776500977 /nfs/dbraw/zinc/50/09/77/776500977.db2.gz LXFMLPJZTCXJIY-MNOVXSKESA-N 0 3 299.371 -1.554 20 0 CAADHN O=C(N[C@H]1CCN(CCOCCO)C[C@@H]1O)c1nnc[nH]1 ZINC001100039037 776502048 /nfs/dbraw/zinc/50/20/48/776502048.db2.gz OGMWRENROPGRAE-UWVGGRQHSA-N 0 3 299.331 -2.021 20 0 CAADHN O=C(N[C@@H]1CCN(CCOCCO)C[C@@H]1O)c1nnc[nH]1 ZINC001100039041 776502930 /nfs/dbraw/zinc/50/29/30/776502930.db2.gz OGMWRENROPGRAE-ZJUUUORDSA-N 0 3 299.331 -2.021 20 0 CAADHN O=C(CCn1cnnn1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001100045374 776503073 /nfs/dbraw/zinc/50/30/73/776503073.db2.gz BBEYFDWCJCOZKF-MNOVXSKESA-N 0 3 298.347 -2.003 20 0 CAADHN O=C(CCn1cnnn1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001100045378 776503767 /nfs/dbraw/zinc/50/37/67/776503767.db2.gz BBEYFDWCJCOZKF-WDEREUQCSA-N 0 3 298.347 -2.003 20 0 CAADHN NC(=O)c1ccnc([N-][C@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155570461 776506751 /nfs/dbraw/zinc/50/67/51/776506751.db2.gz MYZHMWVFFRDKCP-RDDDGLTNSA-N 0 3 262.273 -1.435 20 0 CAADHN Cn1ccc(=O)c(C(=O)NC[C@H]2C[C@H](NCC(N)=O)C2)c1 ZINC001086424703 776508961 /nfs/dbraw/zinc/50/89/61/776508961.db2.gz MLSZGXMVYXIUHE-MGCOHNPYSA-N 0 3 292.339 -1.031 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001086397063 776509577 /nfs/dbraw/zinc/50/95/77/776509577.db2.gz WHBAVOQWEXQYRX-ZKCHVHJHSA-N 0 3 279.300 -1.235 20 0 CAADHN CCN1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100091976 776511701 /nfs/dbraw/zinc/51/17/01/776511701.db2.gz INKCPLGMZHGEJR-UWVGGRQHSA-N 0 3 293.389 -1.551 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100101360 776512181 /nfs/dbraw/zinc/51/21/81/776512181.db2.gz LAWMMDZXOUXXJL-NWDGAFQWSA-N 0 3 297.359 -1.134 20 0 CAADHN NC(=O)NCCC(=O)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001100105193 776513230 /nfs/dbraw/zinc/51/32/30/776513230.db2.gz GCDRGLCIFNZVAY-VHSXEESVSA-N 0 3 290.339 -1.044 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001100105191 776513509 /nfs/dbraw/zinc/51/35/09/776513509.db2.gz GCDRGLCIFNZVAY-NXEZZACHSA-N 0 3 290.339 -1.044 20 0 CAADHN CCN1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100117527 776514148 /nfs/dbraw/zinc/51/41/48/776514148.db2.gz KHCHMYLDBHHQBN-BDAKNGLRSA-N 0 3 279.362 -1.893 20 0 CAADHN Cn1ncnc1CNCCCNC(=O)c1nnc[nH]1 ZINC001168789185 776514822 /nfs/dbraw/zinc/51/48/22/776514822.db2.gz KTTVMJHOFZHTNX-UHFFFAOYSA-N 0 3 264.293 -1.157 20 0 CAADHN Cn1nnnc1CNCCCNC(=O)c1nnc[nH]1 ZINC001168789378 776515099 /nfs/dbraw/zinc/51/50/99/776515099.db2.gz NGQIKKZGHZDSTE-UHFFFAOYSA-N 0 3 265.281 -1.762 20 0 CAADHN C[C@H](O)CN1CCO[C@](C)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001108330955 776515443 /nfs/dbraw/zinc/51/54/43/776515443.db2.gz IXQMJSYTWRAMHV-GXFFZTMASA-N 0 3 297.359 -1.065 20 0 CAADHN C[C@@H](O)CN1CCO[C@@](C)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001108330956 776515603 /nfs/dbraw/zinc/51/56/03/776515603.db2.gz IXQMJSYTWRAMHV-MFKMUULPSA-N 0 3 297.359 -1.065 20 0 CAADHN C[C@H](O)CN1CCO[C@@](C)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001108330954 776515907 /nfs/dbraw/zinc/51/59/07/776515907.db2.gz IXQMJSYTWRAMHV-GWCFXTLKSA-N 0 3 297.359 -1.065 20 0 CAADHN NC(=O)C1(NCC2(O)CCS(=O)(=O)CC2)CC1 ZINC001168847998 776517159 /nfs/dbraw/zinc/51/71/59/776517159.db2.gz IAQMBVNQNDGYPN-UHFFFAOYSA-N 0 3 262.331 -1.466 20 0 CAADHN CN(c1nccc(C(N)=O)n1)S(=O)(=O)CCN ZINC001156232278 776517748 /nfs/dbraw/zinc/51/77/48/776517748.db2.gz URLXJJOTLWFKMY-UHFFFAOYSA-N 0 3 259.291 -1.700 20 0 CAADHN CN(c1ncc(Cl)nc1C(N)=O)S(=O)(=O)CCN ZINC001156236375 776518290 /nfs/dbraw/zinc/51/82/90/776518290.db2.gz HTEUKDIXWPYTKT-UHFFFAOYSA-N 0 3 293.736 -1.046 20 0 CAADHN NC(=O)c1c[n-]c2ncnc(-n3nnnc3C[NH3+])c12 ZINC001168920637 776518425 /nfs/dbraw/zinc/51/84/25/776518425.db2.gz JZOLINBGFSVJGJ-UHFFFAOYSA-N 0 3 259.233 -1.509 20 0 CAADHN COC(=O)c1cc(N(C)S(=O)(=O)CCN)ncn1 ZINC001156236403 776519876 /nfs/dbraw/zinc/51/98/76/776519876.db2.gz JATSJRBMMUJMQG-UHFFFAOYSA-N 0 3 274.302 -1.012 20 0 CAADHN CN(c1nc(Cl)cnc1C(N)=O)S(=O)(=O)CCN ZINC001156236638 776520529 /nfs/dbraw/zinc/52/05/29/776520529.db2.gz OXRSMMMJOUSUEZ-UHFFFAOYSA-N 0 3 293.736 -1.046 20 0 CAADHN COC(=O)c1cncnc1N(C)S(=O)(=O)CCN ZINC001156237118 776520611 /nfs/dbraw/zinc/52/06/11/776520611.db2.gz XLMFDLKSWOTLNL-UHFFFAOYSA-N 0 3 274.302 -1.012 20 0 CAADHN Cc1nc(N(C)C)nc(N(C)S(=O)(=O)CCN)n1 ZINC001156236385 776520628 /nfs/dbraw/zinc/52/06/28/776520628.db2.gz IARMLVFSLYFRDV-UHFFFAOYSA-N 0 3 274.350 -1.029 20 0 CAADHN C[C@@H](N)c1ccn(-c2nn(C)c(=O)n(C)c2=O)n1 ZINC001169232557 776523734 /nfs/dbraw/zinc/52/37/34/776523734.db2.gz HPRBUAHTIPGMKX-ZCFIWIBFSA-N 0 3 250.262 -1.316 20 0 CAADHN CN1CCOc2c(N[C@H](CO)C(N)=O)nncc21 ZINC001169323694 776524568 /nfs/dbraw/zinc/52/45/68/776524568.db2.gz IWNRODQLYQKSNN-ZCFIWIBFSA-N 0 3 253.262 -1.437 20 0 CAADHN CCOC(=O)[C@@H]1CC[C@@H](NS(=O)(=O)CCN)CO1 ZINC001169332595 776527434 /nfs/dbraw/zinc/52/74/34/776527434.db2.gz ZOENWDKJCKCKQM-BDAKNGLRSA-N 0 3 280.346 -1.025 20 0 CAADHN CCOC(=O)[C@H]1CC[C@H](NCC(=O)NCC(N)=O)CO1 ZINC001169365725 776528117 /nfs/dbraw/zinc/52/81/17/776528117.db2.gz GBIFKFUUEMDAES-DTWKUNHWSA-N 0 3 287.316 -1.712 20 0 CAADHN CCOC(=O)[C@@H]1CC[C@@H](NCC(=O)NCC(N)=O)CO1 ZINC001169365719 776528690 /nfs/dbraw/zinc/52/86/90/776528690.db2.gz GBIFKFUUEMDAES-BDAKNGLRSA-N 0 3 287.316 -1.712 20 0 CAADHN CCOC(=O)CNC(=O)CN[C@@H]1CCN(C(C)=O)C1 ZINC001169500361 776530713 /nfs/dbraw/zinc/53/07/13/776530713.db2.gz HPXIYZMZDFSGOW-SNVBAGLBSA-N 0 3 271.317 -1.124 20 0 CAADHN CN(C)C(=O)C[NH2+]CCCNC(=O)CCc1nnc[n-]1 ZINC001156328329 776531558 /nfs/dbraw/zinc/53/15/58/776531558.db2.gz OBSRCOSFXIFOEE-UHFFFAOYSA-N 0 3 282.348 -1.079 20 0 CAADHN COC(=O)CNC(=O)[C@H](C)N[C@H]1CCN(C(C)=O)C1 ZINC001169521676 776531919 /nfs/dbraw/zinc/53/19/19/776531919.db2.gz RWGDXSFUXVOSHT-WPRPVWTQSA-N 0 3 271.317 -1.126 20 0 CAADHN CC(=O)N1CCC[C@H](N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)C1 ZINC001169595550 776533184 /nfs/dbraw/zinc/53/31/84/776533184.db2.gz ZTCMTVRAXVRHDX-QXEWZRGKSA-N 0 3 284.360 -1.035 20 0 CAADHN CS(=O)(=O)C1CCC(N[C@@H](CC(N)=O)C(N)=O)CC1 ZINC001169873880 776538489 /nfs/dbraw/zinc/53/84/89/776538489.db2.gz PJWWZLOSZKUQCP-HACHORDNSA-N 0 3 291.373 -1.339 20 0 CAADHN NC(=O)C[C@H](N[C@@H]1CCCC2(C1)OCCO2)C(N)=O ZINC001169926476 776539487 /nfs/dbraw/zinc/53/94/87/776539487.db2.gz DPTDZXUADHZSIL-BDAKNGLRSA-N 0 3 271.317 -1.009 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129352038 776539956 /nfs/dbraw/zinc/53/99/56/776539956.db2.gz UDYDLLXNXPLFEL-SECBINFHSA-N 0 3 294.359 -1.004 20 0 CAADHN CN(C)C1(C(=O)NCCNCc2nnn(C)n2)CCC1 ZINC001129351833 776540109 /nfs/dbraw/zinc/54/01/09/776540109.db2.gz QFBNMXHWVXBCMH-UHFFFAOYSA-N 0 3 281.364 -1.100 20 0 CAADHN CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001108879265 776543020 /nfs/dbraw/zinc/54/30/20/776543020.db2.gz YYFRVFROGBQCQM-VWYCJHECSA-N 0 3 255.318 -1.164 20 0 CAADHN C[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108916409 776543869 /nfs/dbraw/zinc/54/38/69/776543869.db2.gz IVAFFDMRMHTGRS-JXUBOQSCSA-N 0 3 270.333 -1.243 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](Cn1cccn1)N(C)C ZINC001129381848 776547380 /nfs/dbraw/zinc/54/73/80/776547380.db2.gz ZMXNBCAXRQSURG-LLVKDONJSA-N 0 3 296.375 -1.735 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H](Cn1cccn1)N(C)C)C(N)=O ZINC001129384997 776548272 /nfs/dbraw/zinc/54/82/72/776548272.db2.gz BXRXBFFFWXLHRE-WDEREUQCSA-N 0 3 296.375 -1.607 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](Cn1cccn1)N(C)C)C(N)=O ZINC001129384994 776548429 /nfs/dbraw/zinc/54/84/29/776548429.db2.gz BXRXBFFFWXLHRE-MNOVXSKESA-N 0 3 296.375 -1.607 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001109369100 776550978 /nfs/dbraw/zinc/55/09/78/776550978.db2.gz GZHWGCGWQXTISI-WOPDTQHZSA-N 0 3 299.371 -1.195 20 0 CAADHN NC(=O)CCCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001115348528 776552161 /nfs/dbraw/zinc/55/21/61/776552161.db2.gz TZYVBACLFHCRQN-MPXOCVNLSA-N 0 3 294.355 -1.423 20 0 CAADHN NC(=O)CCCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115351121 776552848 /nfs/dbraw/zinc/55/28/48/776552848.db2.gz ZAZCIGWCUGCBRJ-GDGBQDQQSA-N 0 3 255.318 -1.319 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001100132381 776552875 /nfs/dbraw/zinc/55/28/75/776552875.db2.gz SLEWZWXHZNTLLC-QWRGUYRKSA-N 0 3 286.376 -1.637 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001100132380 776552911 /nfs/dbraw/zinc/55/29/11/776552911.db2.gz SLEWZWXHZNTLLC-MNOVXSKESA-N 0 3 286.376 -1.637 20 0 CAADHN Cc1cncn1CC(=O)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001090434384 776554065 /nfs/dbraw/zinc/55/40/65/776554065.db2.gz YDDTWVOZQTXSMH-RYUDHWBXSA-N 0 3 282.344 -1.265 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC001090444716 776575343 /nfs/dbraw/zinc/57/53/43/776575343.db2.gz JNSDVYSPZDNXCT-GXSJLCMTSA-N 0 3 280.328 -1.035 20 0 CAADHN CS(=O)(=O)N1CC(Nc2cc(CN)ncn2)C1 ZINC001157438886 776576581 /nfs/dbraw/zinc/57/65/81/776576581.db2.gz XRGMUQQBRJYHIU-UHFFFAOYSA-N 0 3 257.319 -1.009 20 0 CAADHN CC[C@H](C(=O)N1CCN(CC(=O)NC(N)=O)CC1)N(C)C ZINC001113007016 776576894 /nfs/dbraw/zinc/57/68/94/776576894.db2.gz HKEZHIWMXGOFAW-SNVBAGLBSA-N 0 3 299.375 -1.334 20 0 CAADHN CC[C@@H](C(=O)N1CCN(CC(=O)NC(N)=O)CC1)N(C)C ZINC001113350995 776585231 /nfs/dbraw/zinc/58/52/31/776585231.db2.gz HKEZHIWMXGOFAW-JTQLQIEISA-N 0 3 299.375 -1.334 20 0 CAADHN CCCN(C)CC(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC001113572939 776589251 /nfs/dbraw/zinc/58/92/51/776589251.db2.gz XGZMKMHDJNPOLX-UHFFFAOYSA-N 0 3 299.375 -1.333 20 0 CAADHN COCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001113765700 776594890 /nfs/dbraw/zinc/59/48/90/776594890.db2.gz WWJVFYDXORNMIV-LOKLDPHHSA-N 0 3 253.302 -1.432 20 0 CAADHN COCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001113765701 776594910 /nfs/dbraw/zinc/59/49/10/776594910.db2.gz WWJVFYDXORNMIV-QCBRBAQYSA-N 0 3 253.302 -1.432 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001113787128 776595595 /nfs/dbraw/zinc/59/55/95/776595595.db2.gz HKDYNENQZMGYBQ-KLBPJQLPSA-N 0 3 280.328 -1.943 20 0 CAADHN CN(Cc1ncccn1)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001157681857 776596007 /nfs/dbraw/zinc/59/60/07/776596007.db2.gz PKCLBNLONRKIIN-SNVBAGLBSA-N 0 3 277.328 -1.235 20 0 CAADHN CC[C@@H]1C[C@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CCO1 ZINC001170179777 776596790 /nfs/dbraw/zinc/59/67/90/776596790.db2.gz XPUNKOMDKUOLCX-VALWXPLLSA-N 0 3 291.344 -1.667 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)C1=COCCO1 ZINC001113807516 776596819 /nfs/dbraw/zinc/59/68/19/776596819.db2.gz XFHQTDKTWUDPAQ-PJXYFTJBSA-N 0 3 298.339 -1.070 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001113842077 776601661 /nfs/dbraw/zinc/60/16/61/776601661.db2.gz MIOOKJRCXHGUJF-IAZYJMLFSA-N 0 3 292.343 -1.402 20 0 CAADHN O=C(CNC(=O)C1CC1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001113940501 776605090 /nfs/dbraw/zinc/60/50/90/776605090.db2.gz SSXOKQNNIFQQMJ-IAZYJMLFSA-N 0 3 267.329 -1.449 20 0 CAADHN COC(=O)NCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001113944989 776606255 /nfs/dbraw/zinc/60/62/55/776606255.db2.gz NKIARYTUFUTVNL-QCBRBAQYSA-N 0 3 296.327 -1.723 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001114060437 776608620 /nfs/dbraw/zinc/60/86/20/776608620.db2.gz LHWCIBDFJXKJCZ-COMAGPEQSA-N 0 3 294.355 -1.553 20 0 CAADHN COCCOCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114073823 776610189 /nfs/dbraw/zinc/61/01/89/776610189.db2.gz AOYVZZWEAWIFNC-IAZYJMLFSA-N 0 3 258.318 -1.312 20 0 CAADHN COCCOCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001114072715 776609938 /nfs/dbraw/zinc/60/99/38/776609938.db2.gz XOOVFIWWDWFGJX-SRRSOLGSSA-N 0 3 297.355 -1.416 20 0 CAADHN COCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001114098881 776611144 /nfs/dbraw/zinc/61/11/44/776611144.db2.gz MUSSVBHBYHKQRQ-IWIIMEHWSA-N 0 3 285.344 -1.429 20 0 CAADHN C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114120597 776613435 /nfs/dbraw/zinc/61/34/35/776613435.db2.gz UTFKZWFYEDPWSK-XBWDGYHZSA-N 0 3 292.343 -1.343 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001114095016 776613704 /nfs/dbraw/zinc/61/37/04/776613704.db2.gz ARDDBSWMMOOSLE-UVMAFCGOSA-N 0 3 266.301 -2.203 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114168460 776615088 /nfs/dbraw/zinc/61/50/88/776615088.db2.gz SABXPIYSMHQHFJ-YABSGUDNSA-N 0 3 299.371 -1.432 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(N)=O)CCNC(=O)C1 ZINC001130203126 776645225 /nfs/dbraw/zinc/64/52/25/776645225.db2.gz FOSSMMKXDZSSGH-LLVKDONJSA-N 0 3 256.306 -1.906 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001114181000 776616256 /nfs/dbraw/zinc/61/62/56/776616256.db2.gz VRYNNIPBXMPETD-KIKITERTSA-N 0 3 280.328 -1.943 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1[C@H]2CN(CCOCCOC)C[C@H]21 ZINC001114180090 776616300 /nfs/dbraw/zinc/61/63/00/776616300.db2.gz DMSOJMXSXQWYMM-YABSGUDNSA-N 0 3 299.371 -1.168 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001114180693 776616443 /nfs/dbraw/zinc/61/64/43/776616443.db2.gz PNUPQOQRQNOHNU-IWIIMEHWSA-N 0 3 292.343 -1.539 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)[C@@H]1COC(=O)N1 ZINC001114204063 776617139 /nfs/dbraw/zinc/61/71/39/776617139.db2.gz NMCRQGGAFYFKAX-ZRUFSTJUSA-N 0 3 299.327 -1.850 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCCc2nccn21 ZINC001129418202 776619231 /nfs/dbraw/zinc/61/92/31/776619231.db2.gz RPFBVTXJVPIBBA-SECBINFHSA-N 0 3 265.317 -1.048 20 0 CAADHN O=C(CNC(=O)N1CCCC1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114266337 776619308 /nfs/dbraw/zinc/61/93/08/776619308.db2.gz ODTFURDOHJYWRY-PJXYFTJBSA-N 0 3 296.371 -1.170 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCCc2nccn21 ZINC001129418205 776619350 /nfs/dbraw/zinc/61/93/50/776619350.db2.gz RPFBVTXJVPIBBA-VIFPVBQESA-N 0 3 265.317 -1.048 20 0 CAADHN C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001157844107 776619448 /nfs/dbraw/zinc/61/94/48/776619448.db2.gz VCWATEXZUYWYMC-CIUDSAMLSA-N 0 3 267.337 -1.345 20 0 CAADHN C[C@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001157844107 776619456 /nfs/dbraw/zinc/61/94/56/776619456.db2.gz VCWATEXZUYWYMC-CIUDSAMLSA-N 0 3 267.337 -1.345 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157853973 776619585 /nfs/dbraw/zinc/61/95/85/776619585.db2.gz VPUKWHTYAFRZSQ-SNVBAGLBSA-N 0 3 291.311 -1.361 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157853972 776619664 /nfs/dbraw/zinc/61/96/64/776619664.db2.gz VPUKWHTYAFRZSQ-JTQLQIEISA-N 0 3 291.311 -1.361 20 0 CAADHN C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001157844110 776619724 /nfs/dbraw/zinc/61/97/24/776619724.db2.gz VCWATEXZUYWYMC-YIZRAAEISA-N 0 3 267.337 -1.345 20 0 CAADHN C[C@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001157844110 776619730 /nfs/dbraw/zinc/61/97/30/776619730.db2.gz VCWATEXZUYWYMC-YIZRAAEISA-N 0 3 267.337 -1.345 20 0 CAADHN Cn1c2cccc(C(=O)NCCNCC(N)=O)c2oc1=O ZINC001129406381 776620041 /nfs/dbraw/zinc/62/00/41/776620041.db2.gz RMDQOISQEBEGMS-UHFFFAOYSA-N 0 3 292.295 -1.064 20 0 CAADHN COCCN[C@@H]1CN(C(=O)COC)C[C@@H]1n1ccnn1 ZINC001129490782 776620536 /nfs/dbraw/zinc/62/05/36/776620536.db2.gz NUJUUNOTKGFRRP-MNOVXSKESA-N 0 3 283.332 -1.088 20 0 CAADHN CN(C)[C@H](C(=O)NCCNCc1nnn(C)n1)C1CC1 ZINC001129436392 776620834 /nfs/dbraw/zinc/62/08/34/776620834.db2.gz PFWPFTNLNMAUGT-NSHDSACASA-N 0 3 281.364 -1.244 20 0 CAADHN CN(CC(=O)NCCNCc1nnnn1C)C1CCC1 ZINC001129527000 776621534 /nfs/dbraw/zinc/62/15/34/776621534.db2.gz WVLWBLOSACOQCO-UHFFFAOYSA-N 0 3 281.364 -1.100 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1CCOCC1=O ZINC001129551785 776622420 /nfs/dbraw/zinc/62/24/20/776622420.db2.gz XAORQWCAIQEJJJ-UHFFFAOYSA-N 0 3 286.332 -2.361 20 0 CAADHN O=C(CN1CCOCC1=O)NCCN[C@@H]1CCCNC1=O ZINC001129570054 776622564 /nfs/dbraw/zinc/62/25/64/776622564.db2.gz OMKGDYWAIXSAST-SNVBAGLBSA-N 0 3 298.343 -2.170 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCOCC1=O)C(N)=O ZINC001129570339 776622637 /nfs/dbraw/zinc/62/26/37/776622637.db2.gz SYVADZLSWCPQBJ-QMMMGPOBSA-N 0 3 272.305 -2.575 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cc2n(n1)CCO2)C(N)=O ZINC001129546033 776622662 /nfs/dbraw/zinc/62/26/62/776622662.db2.gz FGSRYLAXHDPWAK-MRVPVSSYSA-N 0 3 281.316 -1.141 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)c1cc2n(n1)CCO2 ZINC001129551567 776623032 /nfs/dbraw/zinc/62/30/32/776623032.db2.gz QMDAAXPZPMOVPJ-SECBINFHSA-N 0 3 293.327 -1.127 20 0 CAADHN O=C(CNCCNC(=O)CN1CCOCC1=O)NC1CC1 ZINC001129550637 776623083 /nfs/dbraw/zinc/62/30/83/776623083.db2.gz HUPLDZLXHNKMAR-UHFFFAOYSA-N 0 3 298.343 -2.170 20 0 CAADHN CCOCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129565351 776623114 /nfs/dbraw/zinc/62/31/14/776623114.db2.gz ZDSHRQAZMBZZLY-MNOVXSKESA-N 0 3 283.332 -1.352 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cc2n(n1)CCO2 ZINC001129550203 776623294 /nfs/dbraw/zinc/62/32/94/776623294.db2.gz BPSSOIXLGWUVTI-QMMMGPOBSA-N 0 3 279.300 -1.517 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)c1cc2n(n1)CCO2 ZINC001129551568 776623473 /nfs/dbraw/zinc/62/34/73/776623473.db2.gz QMDAAXPZPMOVPJ-VIFPVBQESA-N 0 3 293.327 -1.127 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnn2ncccc12 ZINC001129588218 776623975 /nfs/dbraw/zinc/62/39/75/776623975.db2.gz KYLUKDJPLUTKNM-UHFFFAOYSA-N 0 3 262.273 -1.466 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cnn2ncccc12 ZINC001129588889 776624496 /nfs/dbraw/zinc/62/44/96/776624496.db2.gz TXCWFHXSNVHWQN-SNVBAGLBSA-N 0 3 288.311 -1.063 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnc2n[nH]nc2c1 ZINC001129578458 776624633 /nfs/dbraw/zinc/62/46/33/776624633.db2.gz OKEDIUOHOKYJFX-UHFFFAOYSA-N 0 3 263.261 -1.842 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cnc2n[nH]nc2c1)C(N)=O ZINC001129578167 776624687 /nfs/dbraw/zinc/62/46/87/776624687.db2.gz JSRGAUZPBYQRTQ-MRVPVSSYSA-N 0 3 291.315 -1.064 20 0 CAADHN Cc1nn(C)cc1CC(=O)NCCN[C@H]1CCNC1=O ZINC001129597229 776624837 /nfs/dbraw/zinc/62/48/37/776624837.db2.gz NFOOUYWWUZMSTC-NSHDSACASA-N 0 3 279.344 -1.135 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1CCOCC1=O ZINC001129573312 776624848 /nfs/dbraw/zinc/62/48/48/776624848.db2.gz ARYCYBVQZWUEGY-SECBINFHSA-N 0 3 286.332 -2.315 20 0 CAADHN Cc1nn(C)cc1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001129597228 776624884 /nfs/dbraw/zinc/62/48/84/776624884.db2.gz NFOOUYWWUZMSTC-LLVKDONJSA-N 0 3 279.344 -1.135 20 0 CAADHN CC[C@H](NCCNC(=O)c1cnc2n[nH]nc2c1)C(N)=O ZINC001129578168 776624920 /nfs/dbraw/zinc/62/49/20/776624920.db2.gz JSRGAUZPBYQRTQ-QMMMGPOBSA-N 0 3 291.315 -1.064 20 0 CAADHN C[C@H](NCCNC(=O)c1cnc2n[nH]nc2c1)C(N)=O ZINC001129578758 776624933 /nfs/dbraw/zinc/62/49/33/776624933.db2.gz TVLHQICPLOAECY-LURJTMIESA-N 0 3 277.288 -1.454 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cc2n(n1)CCO2 ZINC001129558291 776624990 /nfs/dbraw/zinc/62/49/90/776624990.db2.gz UWXGHIIFIOLENK-MRVPVSSYSA-N 0 3 281.316 -1.271 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001129755197 776625640 /nfs/dbraw/zinc/62/56/40/776625640.db2.gz NYKNQYLBQOCECP-YUMQZZPRSA-N 0 3 297.315 -2.479 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)N(C)C ZINC001129754737 776625655 /nfs/dbraw/zinc/62/56/55/776625655.db2.gz GGBQFQQHIGNOPR-YUMQZZPRSA-N 0 3 299.331 -2.233 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001129640008 776625781 /nfs/dbraw/zinc/62/57/81/776625781.db2.gz CRKCKOKAJUARKI-LLVKDONJSA-N 0 3 290.323 -1.295 20 0 CAADHN COC[C@@H](C)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129677826 776625936 /nfs/dbraw/zinc/62/59/36/776625936.db2.gz OGDXPNQVVXXUHC-UTUOFQBUSA-N 0 3 297.359 -1.106 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cnc2n1CCC2 ZINC001129762079 776626571 /nfs/dbraw/zinc/62/65/71/776626571.db2.gz GKDRIDASDYSGNP-UHFFFAOYSA-N 0 3 294.315 -1.656 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743487 776627213 /nfs/dbraw/zinc/62/72/13/776627213.db2.gz NXRMYQXYLMPABV-LURJTMIESA-N 0 3 271.277 -2.964 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129770927 776627236 /nfs/dbraw/zinc/62/72/36/776627236.db2.gz MTUUANFXXCWMHH-ZJUUUORDSA-N 0 3 296.331 -2.252 20 0 CAADHN NC(=O)CNCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743926 776627608 /nfs/dbraw/zinc/62/76/08/776627608.db2.gz YYWODQXIBKEORO-YFKPBYRVSA-N 0 3 257.250 -3.224 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1NC(=O)NC1=O)C(N)=O ZINC001129743916 776628271 /nfs/dbraw/zinc/62/82/71/776628271.db2.gz YNRWPJKVPYXQQY-RITPCOANSA-N 0 3 271.277 -2.836 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001129803085 776628797 /nfs/dbraw/zinc/62/87/97/776628797.db2.gz XBGMXNIRJVIPIE-JQWIXIFHSA-N 0 3 285.344 -1.272 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1cc(=O)n(C)cn1 ZINC001129814559 776629118 /nfs/dbraw/zinc/62/91/18/776629118.db2.gz UKSFRODOAUCPTG-UHFFFAOYSA-N 0 3 295.343 -1.374 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(=O)NC(N)=O)cc1=O ZINC001129814641 776629183 /nfs/dbraw/zinc/62/91/83/776629183.db2.gz XLMVYSKCGOLFSB-UHFFFAOYSA-N 0 3 296.287 -2.705 20 0 CAADHN CCc1c[nH]c(CC(=O)NCCNCC(=O)NC)n1 ZINC001129813740 776629216 /nfs/dbraw/zinc/62/92/16/776629216.db2.gz DZDBWWIKBKTMAN-UHFFFAOYSA-N 0 3 267.333 -1.034 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@@H]2CCCNC2=O)cc1=O ZINC001129814314 776629229 /nfs/dbraw/zinc/62/92/29/776629229.db2.gz PDDSLGMZBALTFO-SECBINFHSA-N 0 3 293.327 -1.622 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cc(=O)n(C)cn1 ZINC001129814557 776629359 /nfs/dbraw/zinc/62/93/59/776629359.db2.gz UJYIFIYTIXXDEG-UHFFFAOYSA-N 0 3 281.316 -1.764 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cc(=O)n(C)cn2)C1=O ZINC001129825744 776629420 /nfs/dbraw/zinc/62/94/20/776629420.db2.gz MAHOAFHOLNPENU-VIFPVBQESA-N 0 3 293.327 -1.670 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129802260 776629442 /nfs/dbraw/zinc/62/94/42/776629442.db2.gz CELBIHZQCMTZKN-WPRPVWTQSA-N 0 3 259.306 -1.758 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(N)=O)cc1=O ZINC001129814219 776629473 /nfs/dbraw/zinc/62/94/73/776629473.db2.gz NPRIOZHYWHEWCN-UHFFFAOYSA-N 0 3 253.262 -2.415 20 0 CAADHN CCc1c[nH]c(CC(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001129819472 776629501 /nfs/dbraw/zinc/62/95/01/776629501.db2.gz VHNVQFZNEAWQHG-UHFFFAOYSA-N 0 3 296.331 -1.585 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001129806292 776629541 /nfs/dbraw/zinc/62/95/41/776629541.db2.gz HEFSFLYHMSZDRM-DCAQKATOSA-N 0 3 285.344 -1.273 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001129814554 776629605 /nfs/dbraw/zinc/62/96/05/776629605.db2.gz UGZXMXPVWPZUTD-SSDOTTSWSA-N 0 3 267.289 -2.027 20 0 CAADHN C[C@H](NCCNC(=O)c1cc(=O)n(C)cn1)C(=O)N(C)C ZINC001129825495 776629643 /nfs/dbraw/zinc/62/96/43/776629643.db2.gz HGYJDWJNQBQNQI-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129806954 776629654 /nfs/dbraw/zinc/62/96/54/776629654.db2.gz USEFSMZZAPMRAB-GUBZILKMSA-N 0 3 273.333 -1.369 20 0 CAADHN CC[C@@]1(C(=O)NCCN[C@H]2CCCNC2=O)CCNC1=O ZINC001129870597 776630449 /nfs/dbraw/zinc/63/04/49/776630449.db2.gz IJOXCUOLSDRNEN-IINYFYTJSA-N 0 3 296.371 -1.113 20 0 CAADHN CC[C@@]1(C(=O)NCCNCC(N)=O)CCNC1=O ZINC001129871901 776630481 /nfs/dbraw/zinc/63/04/81/776630481.db2.gz UGROILVJUCVOIC-LLVKDONJSA-N 0 3 256.306 -1.906 20 0 CAADHN CC(C)C[C@]1(C(=O)NCCNCC(N)=O)CCNC1=O ZINC001129878249 776630585 /nfs/dbraw/zinc/63/05/85/776630585.db2.gz JZDUEUOABTZQGZ-CYBMUJFWSA-N 0 3 284.360 -1.270 20 0 CAADHN CC[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001129881852 776630620 /nfs/dbraw/zinc/63/06/20/776630620.db2.gz OUAYNNPWLLHQBG-SCZZXKLOSA-N 0 3 286.332 -1.298 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnc2n1CCOC2 ZINC001129888652 776630704 /nfs/dbraw/zinc/63/07/04/776630704.db2.gz AIDUEZSXAIQVBN-UHFFFAOYSA-N 0 3 267.289 -1.782 20 0 CAADHN CC[C@]1(C(=O)NCCNCC(=O)NC(N)=O)CCNC1=O ZINC001129871337 776630994 /nfs/dbraw/zinc/63/09/94/776630994.db2.gz QJORWLSCMRPZKK-LBPRGKRZSA-N 0 3 299.331 -2.197 20 0 CAADHN CC[C@]1(C(=O)NCCN[C@@H](C)C(=O)NC)CCNC1=O ZINC001129871825 776631223 /nfs/dbraw/zinc/63/12/23/776631223.db2.gz SSDDRFRITBPHCP-ZANVPECISA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@]1(C(=O)NCCNCC(N)=O)CCNC1=O ZINC001129871903 776631237 /nfs/dbraw/zinc/63/12/37/776631237.db2.gz UGROILVJUCVOIC-NSHDSACASA-N 0 3 256.306 -1.906 20 0 CAADHN CC(C)C[C@@]1(C(=O)NCCNCC(N)=O)CCNC1=O ZINC001129878250 776631275 /nfs/dbraw/zinc/63/12/75/776631275.db2.gz JZDUEUOABTZQGZ-ZDUSSCGKSA-N 0 3 284.360 -1.270 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cnc2n1CCOC2)C(N)=O ZINC001129888866 776631299 /nfs/dbraw/zinc/63/12/99/776631299.db2.gz IKVXICMLELEAEH-SECBINFHSA-N 0 3 295.343 -1.003 20 0 CAADHN CC[C@@]1(C(=O)NCCNCC(=O)NC)CCNC1=O ZINC001129865064 776631337 /nfs/dbraw/zinc/63/13/37/776631337.db2.gz CTZNXGTYKWBENU-GFCCVEGCSA-N 0 3 270.333 -1.646 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCCN1c1ncccn1 ZINC001129889054 776631417 /nfs/dbraw/zinc/63/14/17/776631417.db2.gz OSLMNFDSORYOFR-SNVBAGLBSA-N 0 3 292.343 -1.364 20 0 CAADHN CC[C@H](NCCNC(=O)C(C)(C)C(N)=O)C(N)=O ZINC001129927660 776632137 /nfs/dbraw/zinc/63/21/37/776632137.db2.gz YLLZVROIZUZBMR-ZETCQYMHSA-N 0 3 258.322 -1.532 20 0 CAADHN C[C@H](NCCNC(=O)C(C)(C)C(N)=O)C(=O)NC1CC1 ZINC001129936245 776632234 /nfs/dbraw/zinc/63/22/34/776632234.db2.gz XXHQHMRNCJBLNL-QMMMGPOBSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](NCCNC(=O)C(C)(C)C(N)=O)C(=O)N(C)C ZINC001129927634 776632271 /nfs/dbraw/zinc/63/22/71/776632271.db2.gz XEFLFMMJVDVMKP-QMMMGPOBSA-N 0 3 272.349 -1.320 20 0 CAADHN Cc1cc(OCC(=O)NCCN[C@H](C)C(N)=O)no1 ZINC001129913049 776632438 /nfs/dbraw/zinc/63/24/38/776632438.db2.gz NNJVNUSFMLQQSC-MRVPVSSYSA-N 0 3 270.289 -1.059 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCCNCC(=O)NCC1CC1 ZINC001129931050 776632593 /nfs/dbraw/zinc/63/25/93/776632593.db2.gz BZWFXTUAVMAWBH-UHFFFAOYSA-N 0 3 284.360 -1.270 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C(C)(C)C(N)=O ZINC001129926812 776632603 /nfs/dbraw/zinc/63/26/03/776632603.db2.gz GXUXDMBPFJTUKR-ZETCQYMHSA-N 0 3 258.322 -1.662 20 0 CAADHN C[C@@H](NCCNC(=O)C(C)(C)C(N)=O)C(=O)NC(N)=O ZINC001129935740 776632623 /nfs/dbraw/zinc/63/26/23/776632623.db2.gz QNMPWILKCQEQEG-ZCFIWIBFSA-N 0 3 287.320 -2.213 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCCNCC(=O)NC(N)=O ZINC001129923917 776632670 /nfs/dbraw/zinc/63/26/70/776632670.db2.gz CQUGIOCFJCLLRB-UHFFFAOYSA-N 0 3 273.293 -2.601 20 0 CAADHN CC[C@@]1(C(=O)NCCN[C@H]2CCNC2=O)CCNC1=O ZINC001129872378 776632927 /nfs/dbraw/zinc/63/29/27/776632927.db2.gz XBGCJHXOAGWRBM-TVQRCGJNSA-N 0 3 282.344 -1.503 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)C(C)(C)C(N)=O)C1=O ZINC001129926785 776633034 /nfs/dbraw/zinc/63/30/34/776633034.db2.gz FYABFCDZHFDFSU-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@]1(CC(C)C)CCNC1=O ZINC001129875211 776633105 /nfs/dbraw/zinc/63/31/05/776633105.db2.gz KKIPRJDRLCRFFB-CQSZACIVSA-N 0 3 298.387 -1.009 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@@H]2CCCNC2=O)C1=O ZINC001129952839 776633774 /nfs/dbraw/zinc/63/37/74/776633774.db2.gz ABBNDHUKNXJTNU-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCCNC1=O)NCC1CC1 ZINC001129953698 776633951 /nfs/dbraw/zinc/63/39/51/776633951.db2.gz OCSOLKSPOPSEIB-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCCNC1=O ZINC001129953913 776633977 /nfs/dbraw/zinc/63/39/77/776633977.db2.gz UROYEKZRSPOWDI-VIFPVBQESA-N 0 3 270.333 -1.646 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCCNC1=O ZINC001129953139 776634000 /nfs/dbraw/zinc/63/40/00/776634000.db2.gz FAKLFAKDAWMWPN-QMMMGPOBSA-N 0 3 256.306 -2.036 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCCNC1=O ZINC001129953137 776634057 /nfs/dbraw/zinc/63/40/57/776634057.db2.gz FAKLFAKDAWMWPN-MRVPVSSYSA-N 0 3 256.306 -2.036 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCNC1=O)C(N)=O ZINC001129953607 776634144 /nfs/dbraw/zinc/63/41/44/776634144.db2.gz LXQGLPRCXWKYJL-JGVFFNPUSA-N 0 3 256.306 -1.908 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CCCNC1=O ZINC001129954061 776634247 /nfs/dbraw/zinc/63/42/47/776634247.db2.gz XSLXYNJQCPLEGL-SNVBAGLBSA-N 0 3 284.360 -1.255 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C(C)(C)C(N)=O ZINC001129931395 776634420 /nfs/dbraw/zinc/63/44/20/776634420.db2.gz VOKBLEDQYFOXPU-UHFFFAOYSA-N 0 3 272.349 -1.318 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1CCCNC1=O ZINC001129954074 776634457 /nfs/dbraw/zinc/63/44/57/776634457.db2.gz XZBQUESZBJQSRH-DTWKUNHWSA-N 0 3 296.327 -1.976 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@H]2CCCNC2=O)C1=O ZINC001129952840 776634487 /nfs/dbraw/zinc/63/44/87/776634487.db2.gz ABBNDHUKNXJTNU-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1CCCNC1=O ZINC001129954076 776634535 /nfs/dbraw/zinc/63/45/35/776634535.db2.gz XZBQUESZBJQSRH-RKDXNWHRSA-N 0 3 296.327 -1.976 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCCNC1=O ZINC001129953448 776634755 /nfs/dbraw/zinc/63/47/55/776634755.db2.gz INHIPXJUTZZZAG-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCCNC1=O)N1CCCC1 ZINC001129954064 776634648 /nfs/dbraw/zinc/63/46/48/776634648.db2.gz XVRCSGCATBBBID-LLVKDONJSA-N 0 3 296.371 -1.159 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCNC1=O ZINC001129953290 776634682 /nfs/dbraw/zinc/63/46/82/776634682.db2.gz HFCWWGKUSWEMCO-QMMMGPOBSA-N 0 3 299.331 -2.326 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCNC1=O ZINC001129958291 776635507 /nfs/dbraw/zinc/63/55/07/776635507.db2.gz ZQYVKKKWLNRYQZ-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN CO[C@@H](C)CN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129984801 776635549 /nfs/dbraw/zinc/63/55/49/776635549.db2.gz BOBGCUZISYBOCS-AEJSXWLSSA-N 0 3 296.331 -1.860 20 0 CAADHN Cc1ncn(C)c1C(=O)NCCN[C@H]1CCNC1=O ZINC001129960106 776635554 /nfs/dbraw/zinc/63/55/54/776635554.db2.gz ZXTZLTSQHKFOFE-VIFPVBQESA-N 0 3 265.317 -1.064 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c(C)ncn1C ZINC001129959553 776635592 /nfs/dbraw/zinc/63/55/92/776635592.db2.gz CUGFJLHTCFXYTR-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCCNC2=O)C1=O ZINC001129957690 776635706 /nfs/dbraw/zinc/63/57/06/776635706.db2.gz RWDHUXBFNQMRDW-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCNC1=O ZINC001129958289 776635838 /nfs/dbraw/zinc/63/58/38/776635838.db2.gz ZQYVKKKWLNRYQZ-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCCNC1=O)C(N)=O ZINC001129957115 776635848 /nfs/dbraw/zinc/63/58/48/776635848.db2.gz JFXSUFXNBYQYSU-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN Cc1ncn(C)c1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001129959829 776636089 /nfs/dbraw/zinc/63/60/89/776636089.db2.gz OQCQULVQMJBHFN-SECBINFHSA-N 0 3 293.327 -1.147 20 0 CAADHN Cc1ncn(C)c1C(=O)NCCN[C@@H]1CCNC1=O ZINC001129960105 776636368 /nfs/dbraw/zinc/63/63/68/776636368.db2.gz ZXTZLTSQHKFOFE-SECBINFHSA-N 0 3 265.317 -1.064 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCNC1=O)C(=O)NC(N)=O ZINC001129956691 776636166 /nfs/dbraw/zinc/63/61/66/776636166.db2.gz DHOMDTOZSDTUCM-YUMQZZPRSA-N 0 3 299.331 -2.198 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CCCNC1=O ZINC001129954109 776636227 /nfs/dbraw/zinc/63/62/27/776636227.db2.gz YSSOIEFZLHPXFE-NXEZZACHSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1cncs1)C(=O)NC(N)=O ZINC001129982578 776636304 /nfs/dbraw/zinc/63/63/04/776636304.db2.gz LORAUQHIXGMZHA-SSDOTTSWSA-N 0 3 299.356 -1.025 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CCCNC1=O ZINC001129957603 776636465 /nfs/dbraw/zinc/63/64/65/776636465.db2.gz QDGCQTXFJRFLHJ-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN CNC(=O)CNCCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001129995212 776636826 /nfs/dbraw/zinc/63/68/26/776636826.db2.gz DUSORUJPKJTEHP-UHFFFAOYSA-N 0 3 255.278 -1.511 20 0 CAADHN CCc1nn(C)cc1C(=O)NCCNCC(N)=O ZINC001130012413 776636918 /nfs/dbraw/zinc/63/69/18/776636918.db2.gz GPKNYPOLQYVCGS-UHFFFAOYSA-N 0 3 253.306 -1.213 20 0 CAADHN COC1CC(C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001130020108 776636992 /nfs/dbraw/zinc/63/69/92/776636992.db2.gz QPWQMUHGXVZOIG-RTBKNWGFSA-N 0 3 283.328 -1.078 20 0 CAADHN C[C@H](NCCNC(=O)c1cn[nH]c(=O)c1)C(=O)N(C)C ZINC001129991188 776637096 /nfs/dbraw/zinc/63/70/96/776637096.db2.gz SAFLIXXHPDWVHP-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001129996170 776637213 /nfs/dbraw/zinc/63/72/13/776637213.db2.gz DKEFCIPHELLQIU-SSDOTTSWSA-N 0 3 295.299 -1.452 20 0 CAADHN NC(=O)C(=O)N1C[C@@H](NCCCO)[C@@H](n2ccnn2)C1 ZINC001129988560 776637473 /nfs/dbraw/zinc/63/74/73/776637473.db2.gz YCRLVMOVRLLUSI-BDAKNGLRSA-N 0 3 282.304 -2.513 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001129990508 776637572 /nfs/dbraw/zinc/63/75/72/776637572.db2.gz CSAAWQJKZFHVKL-SECBINFHSA-N 0 3 279.300 -1.268 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001129996085 776637729 /nfs/dbraw/zinc/63/77/29/776637729.db2.gz ABTBHJQTXKOKLE-ZETCQYMHSA-N 0 3 269.305 -1.122 20 0 CAADHN O=C(CNCCNC(=O)c1cn[nH]c(=O)c1)N1CCC1 ZINC001129992714 776637843 /nfs/dbraw/zinc/63/78/43/776637843.db2.gz RSVXGGCSOINMGV-UHFFFAOYSA-N 0 3 279.300 -1.266 20 0 CAADHN C[C@@]1(O)CCN(C(=O)[C@H]2COC3(CNC3)CN2)C[C@@H]1F ZINC001157900074 776637947 /nfs/dbraw/zinc/63/79/47/776637947.db2.gz FKBQXEOQBZNCLV-JFGNBEQYSA-N 0 3 287.335 -1.362 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)c1cn[nH]c(=O)c1 ZINC001129989819 776637972 /nfs/dbraw/zinc/63/79/72/776637972.db2.gz XUOFPGOMNKGCSD-SECBINFHSA-N 0 3 279.300 -1.220 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cn[nH]c(=O)c1 ZINC001129991289 776638058 /nfs/dbraw/zinc/63/80/58/776638058.db2.gz UZQZDEATPPDPNH-MRVPVSSYSA-N 0 3 293.283 -1.693 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cn[nH]c(=O)c1 ZINC001129990648 776638063 /nfs/dbraw/zinc/63/80/63/776638063.db2.gz GTKRMCFZSYGUEB-UHFFFAOYSA-N 0 3 282.260 -2.304 20 0 CAADHN CCOCCN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129988088 776638116 /nfs/dbraw/zinc/63/81/16/776638116.db2.gz HXTVTUVRKGEZQN-ZJUUUORDSA-N 0 3 296.331 -1.859 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCCC(=O)N1)N1CCC1 ZINC001130031052 776638565 /nfs/dbraw/zinc/63/85/65/776638565.db2.gz DCLHUVSRRZMGRQ-SNVBAGLBSA-N 0 3 282.344 -1.407 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130041643 776638621 /nfs/dbraw/zinc/63/86/21/776638621.db2.gz RKVQLAKJZJQZLG-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN CN1CC[C@@H](CC(=O)NCCNCC(=O)NC2CC2)C1=O ZINC001130041087 776638750 /nfs/dbraw/zinc/63/87/50/776638750.db2.gz APQCKJAAVRFQMB-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CN1CC[C@H](CC(=O)NCCNCC(=O)NC(N)=O)C1=O ZINC001130041818 776638858 /nfs/dbraw/zinc/63/88/58/776638858.db2.gz WOIZLLQPBVNQQU-MRVPVSSYSA-N 0 3 299.331 -2.245 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CCCC(=O)N1 ZINC001130035320 776638916 /nfs/dbraw/zinc/63/89/16/776638916.db2.gz PQLCUVPWAKIXJA-NXEZZACHSA-N 0 3 282.344 -1.361 20 0 CAADHN CN1CC[C@H](CC(=O)NCCN[C@@H]2CCNC2=O)C1=O ZINC001130041570 776638956 /nfs/dbraw/zinc/63/89/56/776638956.db2.gz PJRQOTVDSILDJR-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN COC1CC(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001130031026 776639129 /nfs/dbraw/zinc/63/91/29/776639129.db2.gz CCKDHGHRFBGTSA-UEJVZZJDSA-N 0 3 286.332 -1.299 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041068 776639329 /nfs/dbraw/zinc/63/93/29/776639329.db2.gz AGQBOYGYIXBNJD-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN COC1CC(C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001130021237 776639513 /nfs/dbraw/zinc/63/95/13/776639513.db2.gz DSTXFEIRRFNNEQ-UHFFFAOYSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130050726 776640229 /nfs/dbraw/zinc/64/02/29/776640229.db2.gz GNYBWFLNEJIGRI-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130050728 776640257 /nfs/dbraw/zinc/64/02/57/776640257.db2.gz GNYBWFLNEJIGRI-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCN(C)C1=O)C(N)=O ZINC001130050547 776640324 /nfs/dbraw/zinc/64/03/24/776640324.db2.gz CAASFJVPBMLJFX-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157903286 776640366 /nfs/dbraw/zinc/64/03/66/776640366.db2.gz FCBHPNKOOGNLPT-JMJZKYOTSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157903286 776640369 /nfs/dbraw/zinc/64/03/69/776640369.db2.gz FCBHPNKOOGNLPT-JMJZKYOTSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157903289 776640433 /nfs/dbraw/zinc/64/04/33/776640433.db2.gz FCBHPNKOOGNLPT-LSJOCFKGSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157903289 776640437 /nfs/dbraw/zinc/64/04/37/776640437.db2.gz FCBHPNKOOGNLPT-LSJOCFKGSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157903291 776640663 /nfs/dbraw/zinc/64/06/63/776640663.db2.gz FCBHPNKOOGNLPT-MIMYLULJSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157903284 776640567 /nfs/dbraw/zinc/64/05/67/776640567.db2.gz FCBHPNKOOGNLPT-INTQDDNPSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157903284 776640572 /nfs/dbraw/zinc/64/05/72/776640572.db2.gz FCBHPNKOOGNLPT-INTQDDNPSA-N 0 3 268.317 -1.519 20 0 CAADHN COCCn1nccc1C(=O)NCCN[C@@H](C)C(N)=O ZINC001130068345 776640602 /nfs/dbraw/zinc/64/06/02/776640602.db2.gz LUABDPHJUSLEHJ-VIFPVBQESA-N 0 3 283.332 -1.277 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@@H]2CCN(C)C2=O)C1=O ZINC001130050619 776640624 /nfs/dbraw/zinc/64/06/24/776640624.db2.gz DJEUTNQBPNMBBT-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157903291 776640671 /nfs/dbraw/zinc/64/06/71/776640671.db2.gz FCBHPNKOOGNLPT-MIMYLULJSA-N 0 3 268.317 -1.519 20 0 CAADHN C[C@@H](NCCNC(=O)COCc1nccn1C)C(N)=O ZINC001130038592 776640684 /nfs/dbraw/zinc/64/06/84/776640684.db2.gz LJQWXDHBUXHZSG-SECBINFHSA-N 0 3 283.332 -1.484 20 0 CAADHN COCCn1nccc1C(=O)NCCNCC(N)=O ZINC001130068563 776640815 /nfs/dbraw/zinc/64/08/15/776640815.db2.gz QULLESYLNOUSAK-UHFFFAOYSA-N 0 3 269.305 -1.666 20 0 CAADHN COCCn1nccc1C(=O)NCCN[C@H](C)C(N)=O ZINC001130068344 776641053 /nfs/dbraw/zinc/64/10/53/776641053.db2.gz LUABDPHJUSLEHJ-SECBINFHSA-N 0 3 283.332 -1.277 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130037353 776641097 /nfs/dbraw/zinc/64/10/97/776641097.db2.gz JPSBRFSOQZQABP-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN Cn1ccnc1COCC(=O)NCCNCC(N)=O ZINC001130038426 776641112 /nfs/dbraw/zinc/64/11/12/776641112.db2.gz DJLXHKSDGCUEQR-UHFFFAOYSA-N 0 3 269.305 -1.872 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)COCc1nccn1C ZINC001130038470 776641260 /nfs/dbraw/zinc/64/12/60/776641260.db2.gz FZWGXYCFWAKPLE-UHFFFAOYSA-N 0 3 297.359 -1.269 20 0 CAADHN CCOc1cc(C(=O)NCCNCC(=O)NC)[nH]n1 ZINC001130106771 776641870 /nfs/dbraw/zinc/64/18/70/776641870.db2.gz BRKCZQNIFCMTAQ-UHFFFAOYSA-N 0 3 269.305 -1.126 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccsn1 ZINC001130098676 776641992 /nfs/dbraw/zinc/64/19/92/776641992.db2.gz KCYHRPNTSGRLII-UHFFFAOYSA-N 0 3 285.329 -1.082 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccsn1 ZINC001130098381 776642008 /nfs/dbraw/zinc/64/20/08/776642008.db2.gz CGTQNOAIKUWJAT-UHFFFAOYSA-N 0 3 271.302 -1.343 20 0 CAADHN C[C@H]([NH2+]CCNC(=O)c1cnc[n-]c1=O)C(=O)NC(N)=O ZINC001130073688 776642251 /nfs/dbraw/zinc/64/22/51/776642251.db2.gz DYQTVGTYYYNCIY-LURJTMIESA-N 0 3 296.287 -1.915 20 0 CAADHN CNC(=O)CNCCNC(=O)c1nc(C)c(C)[nH]c1=O ZINC001130124780 776642296 /nfs/dbraw/zinc/64/22/96/776642296.db2.gz XCSSYCDGJVMSGY-UHFFFAOYSA-N 0 3 281.316 -1.136 20 0 CAADHN Cc1cnc2nc(C(=O)NCCN[C@H](C)C(N)=O)nn2c1 ZINC001130076887 776642311 /nfs/dbraw/zinc/64/23/11/776642311.db2.gz GNNLNUXMRMBBDV-MRVPVSSYSA-N 0 3 291.315 -1.374 20 0 CAADHN COCCn1nccc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001130068764 776642409 /nfs/dbraw/zinc/64/24/09/776642409.db2.gz UOSBBFVTQDEGPJ-SNVBAGLBSA-N 0 3 295.343 -1.263 20 0 CAADHN CC[C@H]([NH2+]CCNC(=O)c1cnc[n-]c1=O)C(N)=O ZINC001130074176 776642519 /nfs/dbraw/zinc/64/25/19/776642519.db2.gz OQGIRFJZBRXKRS-QMMMGPOBSA-N 0 3 267.289 -1.235 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccnn1CCOC ZINC001130068714 776642862 /nfs/dbraw/zinc/64/28/62/776642862.db2.gz SFCPOPSFGNSOAS-UHFFFAOYSA-N 0 3 297.359 -1.015 20 0 CAADHN Cn1nccc1COCC(=O)NCCN[C@H]1CCNC1=O ZINC001130120839 776642967 /nfs/dbraw/zinc/64/29/67/776642967.db2.gz LGSGTNAHMUOBHK-NSHDSACASA-N 0 3 295.343 -1.469 20 0 CAADHN Cc1cc(COCC(=O)NCCNCC(N)=O)no1 ZINC001130116068 776642988 /nfs/dbraw/zinc/64/29/88/776642988.db2.gz BGUGXYKWHQMBQD-UHFFFAOYSA-N 0 3 270.289 -1.309 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)O1 ZINC001130182491 776643674 /nfs/dbraw/zinc/64/36/74/776643674.db2.gz KIOCVBVUBNIIMU-IJLUTSLNSA-N 0 3 298.387 -1.358 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCN[C@@H]2CCNC2=O)O1 ZINC001130180789 776643751 /nfs/dbraw/zinc/64/37/51/776643751.db2.gz ZBTWKKMCUIHBNT-GMTAPVOTSA-N 0 3 284.360 -1.700 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCNC2=O)CCNC(=O)C1 ZINC001130203121 776643773 /nfs/dbraw/zinc/64/37/73/776643773.db2.gz FKBARXGHYQUHKU-TVQRCGJNSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C(N)=O ZINC001130182743 776643817 /nfs/dbraw/zinc/64/38/17/776643817.db2.gz VWFGYCWXQJTZCL-KXUCPTDWSA-N 0 3 272.349 -1.715 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130182532 776644267 /nfs/dbraw/zinc/64/42/67/776644267.db2.gz LXXKOAGAQSUZTG-OUAUKWLOSA-N 0 3 286.376 -1.454 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCC[NH2+]Cc2n[nH]c(=O)[n-]2)O1 ZINC001130182272 776644349 /nfs/dbraw/zinc/64/43/49/776644349.db2.gz ANUZMZFEUDDEAP-RKDXNWHRSA-N 0 3 298.347 -1.565 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C(N)=O ZINC001130182744 776644418 /nfs/dbraw/zinc/64/44/18/776644418.db2.gz VWFGYCWXQJTZCL-OPRDCNLKSA-N 0 3 272.349 -1.715 20 0 CAADHN COc1ccncc1CC(=O)NCCNCC(N)=O ZINC001130173782 776644714 /nfs/dbraw/zinc/64/47/14/776644714.db2.gz OCRUPNKMERVYSZ-UHFFFAOYSA-N 0 3 266.301 -1.176 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130203668 776644733 /nfs/dbraw/zinc/64/47/33/776644733.db2.gz SMHWEDIHVZLVNL-ZDUSSCGKSA-N 0 3 284.360 -1.255 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C(N)=O ZINC001130182818 776644769 /nfs/dbraw/zinc/64/47/69/776644769.db2.gz WVFXECYLKMWFGG-OUAUKWLOSA-N 0 3 286.376 -1.325 20 0 CAADHN C[C@]1(C(=O)NCCN[C@@H]2CCNC2=O)CCNC(=O)C1 ZINC001130203120 776644887 /nfs/dbraw/zinc/64/48/87/776644887.db2.gz FKBARXGHYQUHKU-RNCFNFMXSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCN[C@H]2CCNC2=O)O1 ZINC001130180790 776644918 /nfs/dbraw/zinc/64/49/18/776644918.db2.gz ZBTWKKMCUIHBNT-OUAUKWLOSA-N 0 3 284.360 -1.700 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)NC(N)=O)CCNC(=O)C1 ZINC001130203135 776644930 /nfs/dbraw/zinc/64/49/30/776644930.db2.gz GBGQBGCAUYDBFJ-LBPRGKRZSA-N 0 3 299.331 -2.197 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCC(N)=O)O1 ZINC001130180085 776644996 /nfs/dbraw/zinc/64/49/96/776644996.db2.gz AAQMAOXYXNGBCX-RKDXNWHRSA-N 0 3 258.322 -2.103 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CCNC(=O)C1)C(N)=O ZINC001130203587 776645006 /nfs/dbraw/zinc/64/50/06/776645006.db2.gz QGDRWWLXBPRHFC-PRHODGIISA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NC(N)=O)CCNC(=O)C1 ZINC001130203134 776645172 /nfs/dbraw/zinc/64/51/72/776645172.db2.gz GBGQBGCAUYDBFJ-GFCCVEGCSA-N 0 3 299.331 -2.197 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130200961 776646145 /nfs/dbraw/zinc/64/61/45/776646145.db2.gz QWRBLLDRQJKOHG-ZDUSSCGKSA-N 0 3 284.360 -1.303 20 0 CAADHN Cc1cn2c(n1)C[C@@H](C(=O)NCCNCC(N)=O)CC2 ZINC001130245147 776646275 /nfs/dbraw/zinc/64/62/75/776646275.db2.gz XJKFQKPDBOLRHW-JTQLQIEISA-N 0 3 279.344 -1.055 20 0 CAADHN CC[C@H](NCCNC(=O)[C@]1(C)CCNC(=O)C1)C(N)=O ZINC001130208865 776646636 /nfs/dbraw/zinc/64/66/36/776646636.db2.gz WEJGJLWZSPLUEL-TVQRCGJNSA-N 0 3 284.360 -1.128 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157933824 776646760 /nfs/dbraw/zinc/64/67/60/776646760.db2.gz DLKJNQWDJCIMFO-WLGFBQDLSA-N 0 3 278.374 -1.716 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@]2(C)CCNC(=O)C2)C1=O ZINC001130208117 776646800 /nfs/dbraw/zinc/64/68/00/776646800.db2.gz DEPLTWSCCHLKNQ-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157933822 776646839 /nfs/dbraw/zinc/64/68/39/776646839.db2.gz DLKJNQWDJCIMFO-VJSSZMMUSA-N 0 3 278.374 -1.716 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130200009 776647087 /nfs/dbraw/zinc/64/70/87/776647087.db2.gz AYLPRCJBVOXKPE-GFCCVEGCSA-N 0 3 270.333 -1.646 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130200960 776647221 /nfs/dbraw/zinc/64/72/21/776647221.db2.gz QWRBLLDRQJKOHG-CYBMUJFWSA-N 0 3 284.360 -1.303 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934996 776647819 /nfs/dbraw/zinc/64/78/19/776647819.db2.gz PZRBWCNVCAJGCJ-MIMYLULJSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934996 776647821 /nfs/dbraw/zinc/64/78/21/776647821.db2.gz PZRBWCNVCAJGCJ-MIMYLULJSA-N 0 3 268.317 -1.519 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934999 776648034 /nfs/dbraw/zinc/64/80/34/776648034.db2.gz QAFWHHHXKUOAEY-AEJSXWLSSA-N 0 3 288.348 -2.036 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934989 776648263 /nfs/dbraw/zinc/64/82/63/776648263.db2.gz PZRBWCNVCAJGCJ-DVVUODLYSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934989 776648265 /nfs/dbraw/zinc/64/82/65/776648265.db2.gz PZRBWCNVCAJGCJ-DVVUODLYSA-N 0 3 268.317 -1.519 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cn2c(n1)COCC2 ZINC001130250732 776648303 /nfs/dbraw/zinc/64/83/03/776648303.db2.gz IKLYEYUQQJMOQU-UHFFFAOYSA-N 0 3 295.343 -1.179 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157935000 776648320 /nfs/dbraw/zinc/64/83/20/776648320.db2.gz QAFWHHHXKUOAEY-BBBLOLIVSA-N 0 3 288.348 -2.036 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934993 776649070 /nfs/dbraw/zinc/64/90/70/776649070.db2.gz PZRBWCNVCAJGCJ-INTQDDNPSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934993 776649075 /nfs/dbraw/zinc/64/90/75/776649075.db2.gz PZRBWCNVCAJGCJ-INTQDDNPSA-N 0 3 268.317 -1.519 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cn2c(n1)COCC2 ZINC001130250657 776649239 /nfs/dbraw/zinc/64/92/39/776649239.db2.gz DXBMVVQDVVQZMW-UHFFFAOYSA-N 0 3 295.343 -1.131 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H](C)S(C)(=O)=O)C(N)=O ZINC001130329824 776651238 /nfs/dbraw/zinc/65/12/38/776651238.db2.gz CIZUXBCWHCEGNE-JGVFFNPUSA-N 0 3 279.362 -1.611 20 0 CAADHN COCCS(=O)(=O)CC(=O)NCCN[C@H](C)C(N)=O ZINC001130335160 776651411 /nfs/dbraw/zinc/65/14/11/776651411.db2.gz JJWFDUAQRHMNRT-MRVPVSSYSA-N 0 3 295.361 -2.373 20 0 CAADHN CN1CC[C@@H](C(=O)NCCNCC(=O)N2CCC2)CC1=O ZINC001130362317 776651427 /nfs/dbraw/zinc/65/14/27/776651427.db2.gz NZLBZVYPURAFOI-LLVKDONJSA-N 0 3 296.371 -1.207 20 0 CAADHN NC(=O)CNCCNC(=O)c1cccc(C(N)=O)c1 ZINC001130362436 776651801 /nfs/dbraw/zinc/65/18/01/776651801.db2.gz RXHATKLRMCPEQR-UHFFFAOYSA-N 0 3 264.285 -1.410 20 0 CAADHN CC[C@H](NCCNC(=O)CCS(C)(=O)=O)C(N)=O ZINC001130333729 776652046 /nfs/dbraw/zinc/65/20/46/776652046.db2.gz KREYKNJPABWZPI-QMMMGPOBSA-N 0 3 279.362 -1.609 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H](C)S(C)(=O)=O)C(N)=O ZINC001130329826 776652076 /nfs/dbraw/zinc/65/20/76/776652076.db2.gz CIZUXBCWHCEGNE-SFYZADRCSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@]1(CO)CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C[C@@H]1O ZINC001157944817 776652233 /nfs/dbraw/zinc/65/22/33/776652233.db2.gz KJQMNHLEFTYRAP-GMXVVIOVSA-N 0 3 299.371 -2.091 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cccc(C(N)=O)c1 ZINC001130362265 776652278 /nfs/dbraw/zinc/65/22/78/776652278.db2.gz MOHAZVVLABHCLP-UHFFFAOYSA-N 0 3 278.312 -1.149 20 0 CAADHN CN1CC[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)CC1=O ZINC001130364606 776652624 /nfs/dbraw/zinc/65/26/24/776652624.db2.gz RIGVDKHXHBJJHO-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001130363604 776652753 /nfs/dbraw/zinc/65/27/53/776652753.db2.gz ANPLEBUKYJHWNS-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CN1CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)CC1=O ZINC001130364125 776652920 /nfs/dbraw/zinc/65/29/20/776652920.db2.gz KYUUYLOOZIULCX-QMMMGPOBSA-N 0 3 299.331 -2.245 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)CC1=O ZINC001130364623 776652977 /nfs/dbraw/zinc/65/29/77/776652977.db2.gz RQIIVHYPKLQBLK-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001130363605 776652994 /nfs/dbraw/zinc/65/29/94/776652994.db2.gz ANPLEBUKYJHWNS-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccn(C)c(=O)c1 ZINC001130379355 776653060 /nfs/dbraw/zinc/65/30/60/776653060.db2.gz XVSOCEWYEMETGE-UHFFFAOYSA-N 0 3 280.328 -1.207 20 0 CAADHN CN1CC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CC1=O ZINC001130364124 776653094 /nfs/dbraw/zinc/65/30/94/776653094.db2.gz KYUUYLOOZIULCX-MRVPVSSYSA-N 0 3 299.331 -2.245 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccn(C)c(=O)c1)C(N)=O ZINC001130376473 776653131 /nfs/dbraw/zinc/65/31/31/776653131.db2.gz VYBHUGOBGNFIFY-JTQLQIEISA-N 0 3 280.328 -1.031 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001130363606 776653303 /nfs/dbraw/zinc/65/33/03/776653303.db2.gz ANPLEBUKYJHWNS-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN Cn1ccc(C(=O)NCCNCC(N)=O)cc1=O ZINC001130379233 776653431 /nfs/dbraw/zinc/65/34/31/776653431.db2.gz RAKSHHFRGWYPAO-UHFFFAOYSA-N 0 3 252.274 -1.810 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccn(C)c(=O)c1)C(N)=O ZINC001130376710 776653469 /nfs/dbraw/zinc/65/34/69/776653469.db2.gz YDYPILIGTFNIFN-MRVPVSSYSA-N 0 3 266.301 -1.422 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2ccn(C)c(=O)c2)C1=O ZINC001130375348 776653487 /nfs/dbraw/zinc/65/34/87/776653487.db2.gz DCKHHSOLXMPXHL-NSHDSACASA-N 0 3 292.339 -1.065 20 0 CAADHN Cn1ccc(C(=O)NCCN[C@H]2CCCNC2=O)cc1=O ZINC001130379032 776653517 /nfs/dbraw/zinc/65/35/17/776653517.db2.gz GRERPYRCMVJEMZ-NSHDSACASA-N 0 3 292.339 -1.017 20 0 CAADHN C[C@]1(CO)CCN(C(=O)[C@H](N)Cc2c[nH]cn2)C[C@@H]1O ZINC001157946463 776653569 /nfs/dbraw/zinc/65/35/69/776653569.db2.gz NIGQLMCKQJJZFW-NTZNESFSSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@]1(CO)CCN(C(=O)[C@H](N)Cc2cnc[nH]2)C[C@@H]1O ZINC001157946463 776653572 /nfs/dbraw/zinc/65/35/72/776653572.db2.gz NIGQLMCKQJJZFW-NTZNESFSSA-N 0 3 282.344 -1.129 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001130364152 776653606 /nfs/dbraw/zinc/65/36/06/776653606.db2.gz LODNPNTWZLXPRI-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN CN1CC[C@@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001130363654 776653646 /nfs/dbraw/zinc/65/36/46/776653646.db2.gz BFGXMIQFMANIHV-MRVPVSSYSA-N 0 3 256.306 -1.954 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccn(C)c(=O)c1 ZINC001130375984 776653674 /nfs/dbraw/zinc/65/36/74/776653674.db2.gz OIWAWCITWITTNF-UHFFFAOYSA-N 0 3 266.301 -1.549 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCN(C)C(=O)C2)C1=O ZINC001130367515 776654594 /nfs/dbraw/zinc/65/45/94/776654594.db2.gz MBOHDSVLJZDQSG-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN[C@@H](C)C(N)=O ZINC001130381658 776654677 /nfs/dbraw/zinc/65/46/77/776654677.db2.gz HAUKYAFTFWYXLI-ZETCQYMHSA-N 0 3 287.320 -3.182 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCN(C)C(=O)C2)C1=O ZINC001130367514 776654747 /nfs/dbraw/zinc/65/47/47/776654747.db2.gz MBOHDSVLJZDQSG-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)CNCCNC(=O)Cc1ccc(F)cn1 ZINC001130394958 776654921 /nfs/dbraw/zinc/65/49/21/776654921.db2.gz WOKYDSOQGQTJIU-UHFFFAOYSA-N 0 3 254.265 -1.046 20 0 CAADHN C[C@]1(CO)CN(C(=O)[C@H](N)Cc2c[nH]cn2)CC[C@@H]1O ZINC001157946495 776655075 /nfs/dbraw/zinc/65/50/75/776655075.db2.gz NWLCRXVCWSQAFC-NTZNESFSSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@]1(CO)CN(C(=O)[C@H](N)Cc2cnc[nH]2)CC[C@@H]1O ZINC001157946495 776655078 /nfs/dbraw/zinc/65/50/78/776655078.db2.gz NWLCRXVCWSQAFC-NTZNESFSSA-N 0 3 282.344 -1.129 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCNCCF ZINC001130381986 776655115 /nfs/dbraw/zinc/65/51/15/776655115.db2.gz RRARVQUGYDMZNR-UHFFFAOYSA-N 0 3 262.285 -2.086 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCNCC(N)=O ZINC001130381643 776655193 /nfs/dbraw/zinc/65/51/93/776655193.db2.gz GKBBDXXDCDVPFB-UHFFFAOYSA-N 0 3 273.293 -3.570 20 0 CAADHN COCC[N@@H+]1CC[C@H](NC(=O)c2[n-]nnc2C)[C@@H](O)C1 ZINC001090484299 776655740 /nfs/dbraw/zinc/65/57/40/776655740.db2.gz XKNABQRKZLIYSH-UWVGGRQHSA-N 0 3 283.332 -1.075 20 0 CAADHN COCC[N@H+]1CC[C@H](NC(=O)c2[n-]nnc2C)[C@@H](O)C1 ZINC001090484299 776655747 /nfs/dbraw/zinc/65/57/47/776655747.db2.gz XKNABQRKZLIYSH-UWVGGRQHSA-N 0 3 283.332 -1.075 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCn2cncc2C1 ZINC001130400719 776655953 /nfs/dbraw/zinc/65/59/53/776655953.db2.gz FDVHCDVNDFKOKB-JTQLQIEISA-N 0 3 279.344 -1.103 20 0 CAADHN COCC[N@@H+]1CC[C@@H](NC(=O)c2[n-]nnc2C)[C@@H](O)C1 ZINC001090484301 776656170 /nfs/dbraw/zinc/65/61/70/776656170.db2.gz XKNABQRKZLIYSH-ZJUUUORDSA-N 0 3 283.332 -1.075 20 0 CAADHN COCC[N@H+]1CC[C@@H](NC(=O)c2[n-]nnc2C)[C@@H](O)C1 ZINC001090484301 776656177 /nfs/dbraw/zinc/65/61/77/776656177.db2.gz XKNABQRKZLIYSH-ZJUUUORDSA-N 0 3 283.332 -1.075 20 0 CAADHN COCC[N@@H+]1CC[C@H](NC(=O)c2[n-]nnc2C)[C@H](O)C1 ZINC001090484300 776656289 /nfs/dbraw/zinc/65/62/89/776656289.db2.gz XKNABQRKZLIYSH-VHSXEESVSA-N 0 3 283.332 -1.075 20 0 CAADHN COCC[N@H+]1CC[C@H](NC(=O)c2[n-]nnc2C)[C@H](O)C1 ZINC001090484300 776656295 /nfs/dbraw/zinc/65/62/95/776656295.db2.gz XKNABQRKZLIYSH-VHSXEESVSA-N 0 3 283.332 -1.075 20 0 CAADHN COCC[N@@H+]1CC[C@@H](NC(=O)c2[n-]nnc2C)[C@H](O)C1 ZINC001090484297 776656455 /nfs/dbraw/zinc/65/64/55/776656455.db2.gz XKNABQRKZLIYSH-NXEZZACHSA-N 0 3 283.332 -1.075 20 0 CAADHN COCC[N@H+]1CC[C@@H](NC(=O)c2[n-]nnc2C)[C@H](O)C1 ZINC001090484297 776656457 /nfs/dbraw/zinc/65/64/57/776656457.db2.gz XKNABQRKZLIYSH-NXEZZACHSA-N 0 3 283.332 -1.075 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001130442053 776656531 /nfs/dbraw/zinc/65/65/31/776656531.db2.gz NFOHLEIYJUKIKO-SSDOTTSWSA-N 0 3 282.304 -2.263 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001130404122 776656671 /nfs/dbraw/zinc/65/66/71/776656671.db2.gz GPZJTDYSDYRRLT-SECBINFHSA-N 0 3 265.317 -1.363 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(N)=O ZINC001130445840 776657258 /nfs/dbraw/zinc/65/72/58/776657258.db2.gz WTCHWNHGWBGCBK-SFYZADRCSA-N 0 3 296.331 -1.874 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccnc(N2CCCC2)n1 ZINC001130462410 776657658 /nfs/dbraw/zinc/65/76/58/776657658.db2.gz LYVCMMAZLORZMI-UHFFFAOYSA-N 0 3 292.343 -1.119 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2cncn2C1 ZINC001130484446 776657854 /nfs/dbraw/zinc/65/78/54/776657854.db2.gz NKDHDBNNTIIODP-SNVBAGLBSA-N 0 3 279.344 -1.103 20 0 CAADHN COCc1nn(C)cc1C(=O)NCCN[C@@H](C)C(N)=O ZINC001130449103 776657864 /nfs/dbraw/zinc/65/78/64/776657864.db2.gz RJBSJBCVHYTLNK-QMMMGPOBSA-N 0 3 283.332 -1.240 20 0 CAADHN C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)CO1 ZINC001130503072 776657943 /nfs/dbraw/zinc/65/79/43/776657943.db2.gz FNVGBHSJDUVIHJ-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001130477827 776658057 /nfs/dbraw/zinc/65/80/57/776658057.db2.gz LSYBYJQEENECTO-SECBINFHSA-N 0 3 265.317 -1.363 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2cncn2C1 ZINC001130484445 776658105 /nfs/dbraw/zinc/65/81/05/776658105.db2.gz NKDHDBNNTIIODP-JTQLQIEISA-N 0 3 279.344 -1.103 20 0 CAADHN C[C@@H]1C[C@H](C(=O)NCCNCC(=O)NC(N)=O)CO1 ZINC001130505486 776658173 /nfs/dbraw/zinc/65/81/73/776658173.db2.gz XSYMFQYAHASJEZ-SFYZADRCSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CO[C@H](C)C1 ZINC001130504906 776658195 /nfs/dbraw/zinc/65/81/95/776658195.db2.gz RFXKTQVGNXINLT-RKDXNWHRSA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@@]1(O)CCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001157998301 776658911 /nfs/dbraw/zinc/65/89/11/776658911.db2.gz VSVPTRGYHQCFPG-MWLCHTKSSA-N 0 3 255.318 -1.700 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC001157998636 776658922 /nfs/dbraw/zinc/65/89/22/776658922.db2.gz XURHEZIWGYDHPL-JBDRJPRFSA-N 0 3 286.332 -2.467 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130551870 776659008 /nfs/dbraw/zinc/65/90/08/776659008.db2.gz YTWYVNSIZAMWPU-UHFFFAOYSA-N 0 3 285.348 -2.788 20 0 CAADHN CO[C@@H]1CC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001130543473 776659213 /nfs/dbraw/zinc/65/92/13/776659213.db2.gz AKRRKDIEZHASJD-RKDXNWHRSA-N 0 3 286.332 -1.298 20 0 CAADHN CC[C@H](C)[C@@H](OC)C(=O)NCCNCC(=O)NC(N)=O ZINC001130514377 776659399 /nfs/dbraw/zinc/65/93/99/776659399.db2.gz BGIIIRKZGPWMNJ-WCBMZHEXSA-N 0 3 288.348 -1.052 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130554136 776659613 /nfs/dbraw/zinc/65/96/13/776659613.db2.gz XJRVLCOEQDHREJ-SNVBAGLBSA-N 0 3 299.375 -2.399 20 0 CAADHN C[C@@]1(O)CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001157998299 776659714 /nfs/dbraw/zinc/65/97/14/776659714.db2.gz VSVPTRGYHQCFPG-GXSJLCMTSA-N 0 3 255.318 -1.700 20 0 CAADHN CO[C@H]1CC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001130543470 776659789 /nfs/dbraw/zinc/65/97/89/776659789.db2.gz AKRRKDIEZHASJD-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1CCN(C)C(=O)C1)C(N)=O ZINC001130553266 776659852 /nfs/dbraw/zinc/65/98/52/776659852.db2.gz ATEBGRBBNHECLZ-SNVBAGLBSA-N 0 3 299.375 -2.270 20 0 CAADHN CN1CCN(CC(=O)NCCN[C@H]2CCNC2=O)CC1=O ZINC001130554124 776659873 /nfs/dbraw/zinc/65/98/73/776659873.db2.gz WZIXANIBUMCSRX-JTQLQIEISA-N 0 3 297.359 -2.645 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1cc(C2CC2)cn1 ZINC001130564159 776659906 /nfs/dbraw/zinc/65/99/06/776659906.db2.gz WDAFCCSQLMUZCG-UHFFFAOYSA-N 0 3 265.317 -1.048 20 0 CAADHN CO[C@H]1CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001130543472 776659911 /nfs/dbraw/zinc/65/99/11/776659911.db2.gz AKRRKDIEZHASJD-IUCAKERBSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H](NCCNC(=O)Cn1ncn(C)c1=O)C(=O)N(C)C ZINC001130588021 776660526 /nfs/dbraw/zinc/66/05/26/776660526.db2.gz JYPSFFDUNIATAE-VIFPVBQESA-N 0 3 298.347 -2.236 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@](C)(O)C1 ZINC001157998711 776660886 /nfs/dbraw/zinc/66/08/86/776660886.db2.gz ZJBWXGLHULSCDL-YVZVNANGSA-N 0 3 286.332 -2.323 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001130587919 776661013 /nfs/dbraw/zinc/66/10/13/776661013.db2.gz FSOUUAZSLGIJJM-QMMMGPOBSA-N 0 3 284.320 -2.449 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1ncn(C)c1=O ZINC001130587915 776661375 /nfs/dbraw/zinc/66/13/75/776661375.db2.gz FQJFAEYVBKPURD-UHFFFAOYSA-N 0 3 270.293 -2.966 20 0 CAADHN Cn1cnn(CC(=O)NCCN[C@@H]2CCNC2=O)c1=O ZINC001130594074 776662076 /nfs/dbraw/zinc/66/20/76/776662076.db2.gz OMOTZZMBPLXVJK-MRVPVSSYSA-N 0 3 282.304 -2.824 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001130611456 776662138 /nfs/dbraw/zinc/66/21/38/776662138.db2.gz BUMFNZVUBIOKEA-MNOVXSKESA-N 0 3 284.360 -1.699 20 0 CAADHN Cn1cnn(CC(=O)NCCNCc2ccnn2C)c1=O ZINC001130591071 776662208 /nfs/dbraw/zinc/66/22/08/776662208.db2.gz RHQKFFFBPDUPTL-UHFFFAOYSA-N 0 3 293.331 -1.779 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001130612235 776662233 /nfs/dbraw/zinc/66/22/33/776662233.db2.gz OORIBSIQHTXYSB-LBPRGKRZSA-N 0 3 298.387 -1.309 20 0 CAADHN CC[C@@H](NCCNC(=O)CC1CS(=O)(=O)C1)C(N)=O ZINC001130581499 776662249 /nfs/dbraw/zinc/66/22/49/776662249.db2.gz SJMAUOYSPBPWEN-SECBINFHSA-N 0 3 291.373 -1.609 20 0 CAADHN Cn1cnn(CC(=O)NCCNCc2cccnc2)c1=O ZINC001130590962 776662278 /nfs/dbraw/zinc/66/22/78/776662278.db2.gz OGYJDQKQISFXTN-UHFFFAOYSA-N 0 3 290.327 -1.117 20 0 CAADHN C[C@H](NCCNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001130588685 776662291 /nfs/dbraw/zinc/66/22/91/776662291.db2.gz ZMIWVQSULHGOBF-ZETCQYMHSA-N 0 3 270.293 -2.839 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCNCC(=O)NC ZINC001130611899 776662544 /nfs/dbraw/zinc/66/25/44/776662544.db2.gz JSGLSDMGEYTDSU-JTQLQIEISA-N 0 3 272.349 -1.841 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)Cn1ncn(C)c1=O ZINC001130591033 776662710 /nfs/dbraw/zinc/66/27/10/776662710.db2.gz QBDHOKDDNPOXKR-UHFFFAOYSA-N 0 3 298.347 -2.188 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001130588684 776662728 /nfs/dbraw/zinc/66/27/28/776662728.db2.gz ZMIWVQSULHGOBF-SSDOTTSWSA-N 0 3 270.293 -2.839 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001130612744 776663780 /nfs/dbraw/zinc/66/37/80/776663780.db2.gz XHFVADPPMGALAJ-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnc2[nH]c(=O)[nH]c2c1)C(N)=O ZINC001130617837 776663594 /nfs/dbraw/zinc/66/35/94/776663594.db2.gz KEOUVOBKSBALSS-ZCFIWIBFSA-N 0 3 292.299 -1.143 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090488574 776663895 /nfs/dbraw/zinc/66/38/95/776663895.db2.gz FBUNLVIGFQZEMY-QWRGUYRKSA-N 0 3 284.360 -2.011 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1COCCN1CC)C(N)=O ZINC001130615029 776663956 /nfs/dbraw/zinc/66/39/56/776663956.db2.gz HSIYPCVSIJYZMB-MNOVXSKESA-N 0 3 286.376 -1.323 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001130607736 776664022 /nfs/dbraw/zinc/66/40/22/776664022.db2.gz LLHDQPXQQIZRRT-UHFFFAOYSA-N 0 3 292.299 -1.271 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC ZINC001130615928 776664118 /nfs/dbraw/zinc/66/41/18/776664118.db2.gz VWLAUMYDPMSFKU-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001130615941 776664228 /nfs/dbraw/zinc/66/42/28/776664228.db2.gz WDCAMOFRGLALNI-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1COCCN1CC)C(N)=O ZINC001130615030 776664410 /nfs/dbraw/zinc/66/44/10/776664410.db2.gz HSIYPCVSIJYZMB-QWRGUYRKSA-N 0 3 286.376 -1.323 20 0 CAADHN C[C@@H]1C[C@@H](C(=O)NCCNCC(=O)N(C)C)CC(=O)N1 ZINC001130669152 776665268 /nfs/dbraw/zinc/66/52/68/776665268.db2.gz BHFHBVYEKDHZTH-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N2CCC2)CC(=O)N1 ZINC001130669950 776665277 /nfs/dbraw/zinc/66/52/77/776665277.db2.gz HXWQHHNFLWZSFF-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC001130670607 776665360 /nfs/dbraw/zinc/66/53/60/776665360.db2.gz PEFRLGJJDFZLPN-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H]1C[C@H](C(=O)NCCNCC(=O)N2CCC2)CC(=O)N1 ZINC001130669949 776665653 /nfs/dbraw/zinc/66/56/53/776665653.db2.gz HXWQHHNFLWZSFF-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CNCCNC(=O)C1CCC(C(N)=O)CC1 ZINC001130679829 776665733 /nfs/dbraw/zinc/66/57/33/776665733.db2.gz KZTMWSAFPVYAML-UHFFFAOYSA-N 0 3 270.333 -1.531 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC001130670541 776665797 /nfs/dbraw/zinc/66/57/97/776665797.db2.gz OHFTUMOOYIOZBK-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H]1C[C@H](C(=O)NCCNCC(N)=O)CC(=O)N1 ZINC001130669114 776665958 /nfs/dbraw/zinc/66/59/58/776665958.db2.gz ASYVEFSWXRYIOE-SFYZADRCSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC(=O)NC1)C(=O)NC(N)=O ZINC001130706161 776666698 /nfs/dbraw/zinc/66/66/98/776666698.db2.gz VOJVNLNROPTKRU-SFYZADRCSA-N 0 3 299.331 -2.198 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130705753 776666781 /nfs/dbraw/zinc/66/67/81/776666781.db2.gz LTUILSJPMAQQAJ-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)NC2)C1=O ZINC001130705997 776666838 /nfs/dbraw/zinc/66/68/38/776666838.db2.gz RLCMPAYZBFNJNU-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CCC(=O)NC1 ZINC001130702882 776666880 /nfs/dbraw/zinc/66/68/80/776666880.db2.gz XXCBRSBREWACRH-ZJUUUORDSA-N 0 3 282.344 -1.503 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130705504 776666932 /nfs/dbraw/zinc/66/69/32/776666932.db2.gz FUILIPDRBRRHKE-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN NC(=O)CNCCNC(=O)CCOC[C@@H]1CCCO1 ZINC001130688754 776666947 /nfs/dbraw/zinc/66/69/47/776666947.db2.gz ZMLWVFGBYXPHGS-JTQLQIEISA-N 0 3 273.333 -1.237 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC(=O)NC1)C(=O)NC(N)=O ZINC001130706159 776666991 /nfs/dbraw/zinc/66/69/91/776666991.db2.gz VOJVNLNROPTKRU-HTQZYQBOSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC(=O)NC1)C(=O)N(C)C ZINC001130705995 776667024 /nfs/dbraw/zinc/66/70/24/776667024.db2.gz RKUCQITYTSAPHD-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC(=O)NC1)C(=O)N(C)C ZINC001130705996 776667093 /nfs/dbraw/zinc/66/70/93/776667093.db2.gz RKUCQITYTSAPHD-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC(=O)NC1)C(=O)N(C)C ZINC001130705993 776667118 /nfs/dbraw/zinc/66/71/18/776667118.db2.gz RKUCQITYTSAPHD-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CCC(=O)NC1 ZINC001130702881 776667229 /nfs/dbraw/zinc/66/72/29/776667229.db2.gz XXCBRSBREWACRH-VHSXEESVSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CC(=O)N1 ZINC001130670926 776667643 /nfs/dbraw/zinc/66/76/43/776667643.db2.gz VRQYTLVNVWKKCF-JGVFFNPUSA-N 0 3 299.331 -2.198 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCC(=O)NC1)NCC1CC1 ZINC001130702850 776667689 /nfs/dbraw/zinc/66/76/89/776667689.db2.gz XFHAVBJJYDVOPQ-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCC(=O)NC2)C1=O ZINC001130705454 776667733 /nfs/dbraw/zinc/66/77/33/776667733.db2.gz DVLHXCRZWFMRSE-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCC(=O)NC1)NC1CC1 ZINC001130702219 776668252 /nfs/dbraw/zinc/66/82/52/776668252.db2.gz ISJSBGHEGJLRJJ-SECBINFHSA-N 0 3 282.344 -1.503 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCC(=O)NC1)N1CCCC1 ZINC001130702404 776668320 /nfs/dbraw/zinc/66/83/20/776668320.db2.gz NKUQAHRJLSFMQQ-NSHDSACASA-N 0 3 296.371 -1.159 20 0 CAADHN Cn1c(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)c[nH]c1=O ZINC001090492438 776668548 /nfs/dbraw/zinc/66/85/48/776668548.db2.gz JJWTYNLHGJFOFS-MWLCHTKSSA-N 0 3 298.343 -1.327 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130700151 776668609 /nfs/dbraw/zinc/66/86/09/776668609.db2.gz YUVMJIOQZMBBNJ-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1nnc(-c2ccco2)n1 ZINC001130709298 776668681 /nfs/dbraw/zinc/66/86/81/776668681.db2.gz ZVAFIBTUWYFBAV-UHFFFAOYSA-N 0 3 293.287 -1.876 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130702356 776668713 /nfs/dbraw/zinc/66/87/13/776668713.db2.gz LOWOBAYROJUIFN-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130702366 776668729 /nfs/dbraw/zinc/66/87/29/776668729.db2.gz MAFQGLAZPUNFPQ-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@H]2CCC(=O)NC2)C1=O ZINC001130702651 776668801 /nfs/dbraw/zinc/66/88/01/776668801.db2.gz SCUOJBUACUKXIH-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001130702152 776668811 /nfs/dbraw/zinc/66/88/11/776668811.db2.gz GYOZXCPURUAVDJ-DTWKUNHWSA-N 0 3 268.317 -1.893 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130700152 776668935 /nfs/dbraw/zinc/66/89/35/776668935.db2.gz YUVMJIOQZMBBNJ-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CCC(=O)NC1 ZINC001130702151 776669049 /nfs/dbraw/zinc/66/90/49/776669049.db2.gz GYOZXCPURUAVDJ-BDAKNGLRSA-N 0 3 268.317 -1.893 20 0 CAADHN CCc1n[nH]cc1C(=O)NCCNCC(=O)NC(=O)NC ZINC001130724169 776669209 /nfs/dbraw/zinc/66/92/09/776669209.db2.gz HKKYEEFEYFUTCO-UHFFFAOYSA-N 0 3 296.331 -1.253 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001130702641 776669267 /nfs/dbraw/zinc/66/92/67/776669267.db2.gz SAWOJERKDKBFAX-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN Cn1c(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)c[nH]c1=O ZINC001090492439 776669421 /nfs/dbraw/zinc/66/94/21/776669421.db2.gz JJWTYNLHGJFOFS-ONGXEEELSA-N 0 3 298.343 -1.327 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CN1CCCNC1=O ZINC001130781609 776673527 /nfs/dbraw/zinc/67/35/27/776673527.db2.gz NTRBBSGNYBDUJN-UHFFFAOYSA-N 0 3 299.375 -1.414 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CCCNC1=O ZINC001130781573 776673632 /nfs/dbraw/zinc/67/36/32/776673632.db2.gz MRTXYRXYYWZVEK-UHFFFAOYSA-N 0 3 271.321 -2.147 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CN2CCCNC2=O)C1=O ZINC001130791029 776673661 /nfs/dbraw/zinc/67/36/61/776673661.db2.gz HDOQRJLKGJNICR-JTQLQIEISA-N 0 3 297.359 -1.662 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccnc2c1CC(=O)N2)C(N)=O ZINC001130819239 776675460 /nfs/dbraw/zinc/67/54/60/776675460.db2.gz MVEACIALAASYJJ-SSDOTTSWSA-N 0 3 291.311 -1.231 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cnn2c1OCCC2 ZINC001130838182 776676069 /nfs/dbraw/zinc/67/60/69/776676069.db2.gz YGSLHHGJBHKBIP-JTQLQIEISA-N 0 3 293.327 -1.127 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnc2c(c1)NC(=O)CO2 ZINC001130889691 776676729 /nfs/dbraw/zinc/67/67/29/776676729.db2.gz VKXHLNTZKLMDLF-UHFFFAOYSA-N 0 3 293.283 -1.783 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccnnc1C ZINC001130864935 776676765 /nfs/dbraw/zinc/67/67/65/776676765.db2.gz MKKIGCRCGZVBGG-UHFFFAOYSA-N 0 3 251.290 -1.150 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cncn1C ZINC001130896616 776677084 /nfs/dbraw/zinc/67/70/84/776677084.db2.gz HQRXXASRIVZQFY-UHFFFAOYSA-N 0 3 296.331 -1.415 20 0 CAADHN Cc1nnccc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001130867486 776677110 /nfs/dbraw/zinc/67/71/10/776677110.db2.gz GVUBDIAWCMJQEI-SNVBAGLBSA-N 0 3 263.301 -1.007 20 0 CAADHN Cn1cncc1C(=O)NCCNCC(=O)N1CCC1 ZINC001130896466 776677347 /nfs/dbraw/zinc/67/73/47/776677347.db2.gz FEKBTMZOKRHARL-UHFFFAOYSA-N 0 3 265.317 -1.028 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1cncn1C ZINC001130896382 776677544 /nfs/dbraw/zinc/67/75/44/776677544.db2.gz AKJHMXQMUGXODE-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN Cc1nnccc1C(=O)NCCN[C@H]1CCNC1=O ZINC001130867485 776677618 /nfs/dbraw/zinc/67/76/18/776677618.db2.gz GVUBDIAWCMJQEI-JTQLQIEISA-N 0 3 263.301 -1.007 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cncn1C ZINC001130901465 776678372 /nfs/dbraw/zinc/67/83/72/776678372.db2.gz XSYQCTRMMSOQBS-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN Cn1cc(C(N)=O)cc1C(=O)NCCNCC(N)=O ZINC001130891739 776678441 /nfs/dbraw/zinc/67/84/41/776678441.db2.gz FHOSYOGJRKDPSF-UHFFFAOYSA-N 0 3 267.289 -2.071 20 0 CAADHN Cn1cc(C(N)=O)cc1C(=O)NCCN[C@H]1CCNC1=O ZINC001130892263 776678449 /nfs/dbraw/zinc/67/84/49/776678449.db2.gz ULIRPFMFMRCLRN-VIFPVBQESA-N 0 3 293.327 -1.668 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O ZINC001130941680 776678585 /nfs/dbraw/zinc/67/85/85/776678585.db2.gz XAKGXKQVZRMDDG-QMMMGPOBSA-N 0 3 297.315 -2.081 20 0 CAADHN Cn1cncc1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001130900568 776678760 /nfs/dbraw/zinc/67/87/60/776678760.db2.gz HNALRDOFRBOGIE-VIFPVBQESA-N 0 3 265.317 -1.030 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cncn1C ZINC001130900527 776678830 /nfs/dbraw/zinc/67/88/30/776678830.db2.gz GCQJSPQRYPZRAT-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cncn1C ZINC001130900528 776679137 /nfs/dbraw/zinc/67/91/37/776679137.db2.gz GCQJSPQRYPZRAT-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN Cn1cncc1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001130900567 776679190 /nfs/dbraw/zinc/67/91/90/776679190.db2.gz HNALRDOFRBOGIE-SECBINFHSA-N 0 3 265.317 -1.030 20 0 CAADHN Cn1cncc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001130898540 776679321 /nfs/dbraw/zinc/67/93/21/776679321.db2.gz CRPQHSDHLQDCND-QMMMGPOBSA-N 0 3 279.300 -1.455 20 0 CAADHN C[C@@H](NCCNC(=O)c1cncn1C)C(=O)NC(N)=O ZINC001130903767 776679399 /nfs/dbraw/zinc/67/93/99/776679399.db2.gz XSNZLYHNBIPJIT-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CCN(CCCF)C[C@@H]2O)n1 ZINC001090497014 776679892 /nfs/dbraw/zinc/67/98/92/776679892.db2.gz SMTOTMKTGXHUIN-BDAKNGLRSA-N 0 3 286.311 -1.265 20 0 CAADHN NC(=O)CNCCNC(=O)CCN1C(=O)CCC1=O ZINC001130995101 776679899 /nfs/dbraw/zinc/67/98/99/776679899.db2.gz XPKMZDSALAMKDL-UHFFFAOYSA-N 0 3 270.289 -2.283 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCN1C(=O)CCC1=O ZINC001130994601 776679919 /nfs/dbraw/zinc/67/99/19/776679919.db2.gz JEMSODGDGWJVQP-VIFPVBQESA-N 0 3 298.343 -1.634 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCCCNC(N)=O ZINC001130958525 776679970 /nfs/dbraw/zinc/67/99/70/776679970.db2.gz GYCQQSSZRFZPJR-UHFFFAOYSA-N 0 3 287.364 -1.381 20 0 CAADHN CC[C@H](NCCNC(=O)CCCCNC(N)=O)C(N)=O ZINC001130958485 776680019 /nfs/dbraw/zinc/68/00/19/776680019.db2.gz FMAGXGOKDSKGPX-VIFPVBQESA-N 0 3 287.364 -1.205 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCN1C(=O)CCC1=O ZINC001130994600 776680091 /nfs/dbraw/zinc/68/00/91/776680091.db2.gz JEMSODGDGWJVQP-SECBINFHSA-N 0 3 298.343 -1.634 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](N[C@@H](C)C(=O)NCC(N)=O)C1 ZINC001170524636 776680215 /nfs/dbraw/zinc/68/02/15/776680215.db2.gz BGAQBDKHBBXQHG-YIZRAAEISA-N 0 3 271.317 -1.092 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944436 776680321 /nfs/dbraw/zinc/68/03/21/776680321.db2.gz OSPOKFFJPFKRSQ-UHFFFAOYSA-N 0 3 297.315 -2.209 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCN1C(=O)CCC1=O ZINC001130994502 776680495 /nfs/dbraw/zinc/68/04/95/776680495.db2.gz FFCGHWIATOEDSR-UHFFFAOYSA-N 0 3 298.343 -1.681 20 0 CAADHN C[C@H](NCCNC(=O)CCCCNC(N)=O)C(N)=O ZINC001130958586 776680565 /nfs/dbraw/zinc/68/05/65/776680565.db2.gz KDRTZTOGGGLRTB-QMMMGPOBSA-N 0 3 273.337 -1.595 20 0 CAADHN Cn1nnc(C(=O)N[C@H]2CCN(CCCF)C[C@@H]2O)n1 ZINC001090497016 776680604 /nfs/dbraw/zinc/68/06/04/776680604.db2.gz SMTOTMKTGXHUIN-IUCAKERBSA-N 0 3 286.311 -1.265 20 0 CAADHN O=C(CCN1C(=O)CCC1=O)NCCN[C@H]1CCNC1=O ZINC001130994631 776680627 /nfs/dbraw/zinc/68/06/27/776680627.db2.gz KHMGDJQWXFTWSI-VIFPVBQESA-N 0 3 296.327 -1.880 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CCCCNC(N)=O)C1=O ZINC001130958569 776680733 /nfs/dbraw/zinc/68/07/33/776680733.db2.gz JBZHWFMBPVEHHQ-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](NCC(=O)NCC(N)=O)C1 ZINC001170530002 776681750 /nfs/dbraw/zinc/68/17/50/776681750.db2.gz SJBDMQUPGYVBQZ-SFYZADRCSA-N 0 3 257.290 -1.481 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131011214 776681780 /nfs/dbraw/zinc/68/17/80/776681780.db2.gz RIUGPZYFWARYNN-JTQLQIEISA-N 0 3 299.375 -1.381 20 0 CAADHN CC(=O)N1CCC[C@@H](C(=O)NCCNCC(N)=O)C1 ZINC001131014265 776681788 /nfs/dbraw/zinc/68/17/88/776681788.db2.gz RPYHXPHNIILWOZ-SNVBAGLBSA-N 0 3 270.333 -1.564 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131008677 776681837 /nfs/dbraw/zinc/68/18/37/776681837.db2.gz YWIGBEIPLYSFOK-SECBINFHSA-N 0 3 285.348 -1.771 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCN(C(N)=O)C1)C(N)=O ZINC001131010931 776681850 /nfs/dbraw/zinc/68/18/50/776681850.db2.gz IXGULCYIJVFNCH-IUCAKERBSA-N 0 3 285.348 -1.643 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(OCC(N)=O)cc1 ZINC001131039633 776681884 /nfs/dbraw/zinc/68/18/84/776681884.db2.gz PFDMANPSMRJDCB-UHFFFAOYSA-N 0 3 294.311 -1.645 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131025393 776682110 /nfs/dbraw/zinc/68/21/10/776682110.db2.gz NTPCHQKISJFEQR-NXEZZACHSA-N 0 3 299.375 -1.383 20 0 CAADHN CC(=O)N1CCC[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001131014466 776682177 /nfs/dbraw/zinc/68/21/77/776682177.db2.gz XTFHHDJQPRUCJX-NEPJUHHUSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(=O)N1CCC[C@H](C(=O)NCCNCC(N)=O)C1 ZINC001131014264 776682306 /nfs/dbraw/zinc/68/23/06/776682306.db2.gz RPYHXPHNIILWOZ-JTQLQIEISA-N 0 3 270.333 -1.564 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131025394 776682598 /nfs/dbraw/zinc/68/25/98/776682598.db2.gz NTPCHQKISJFEQR-UWVGGRQHSA-N 0 3 299.375 -1.383 20 0 CAADHN COCc1ccc(C(=O)NCCNCC(=O)NC(N)=O)o1 ZINC001131073155 776683144 /nfs/dbraw/zinc/68/31/44/776683144.db2.gz NKJUVHGOMHKQKP-UHFFFAOYSA-N 0 3 298.299 -1.060 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCCC(=O)N1)C(N)=O ZINC001131097512 776683446 /nfs/dbraw/zinc/68/34/46/776683446.db2.gz PEQQTSYYPSPKEO-IUCAKERBSA-N 0 3 270.333 -1.375 20 0 CAADHN COCCn1nc(C(=O)NCCNCC(N)=O)ccc1=O ZINC001131050291 776683311 /nfs/dbraw/zinc/68/33/11/776683311.db2.gz FXJRVPGOINQNAC-UHFFFAOYSA-N 0 3 297.315 -2.306 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131099507 776683333 /nfs/dbraw/zinc/68/33/33/776683333.db2.gz IWINZKDUBZBSKO-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131100156 776683382 /nfs/dbraw/zinc/68/33/82/776683382.db2.gz QBDPEIAAFAHMNK-VIFPVBQESA-N 0 3 270.333 -1.503 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131099520 776683704 /nfs/dbraw/zinc/68/37/04/776683704.db2.gz JGZZBLJMXOBILQ-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@H]2CCCC(=O)N2)C1=O ZINC001131099007 776684021 /nfs/dbraw/zinc/68/40/21/776684021.db2.gz BOERUCKWBCBTFR-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccc(C(N)=O)o1)C(N)=O ZINC001131107361 776684885 /nfs/dbraw/zinc/68/48/85/776684885.db2.gz QTAXBMBXAHQTGI-ZETCQYMHSA-N 0 3 282.300 -1.038 20 0 CAADHN COc1cc(C(=O)NCCN[C@@H]2CCN(C)C2=O)nn1C ZINC001131130062 776684926 /nfs/dbraw/zinc/68/49/26/776684926.db2.gz VQCDEWUQZPORGU-SECBINFHSA-N 0 3 295.343 -1.021 20 0 CAADHN NC(=O)CNCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131106906 776684956 /nfs/dbraw/zinc/68/49/56/776684956.db2.gz AHQXZWNTBAIALK-QMMMGPOBSA-N 0 3 256.306 -1.764 20 0 CAADHN COc1cnc(C(=O)NCCN[C@@H]2CCNC2=O)nc1 ZINC001131124096 776684985 /nfs/dbraw/zinc/68/49/85/776684985.db2.gz OLXIGAJRAJQVFE-SECBINFHSA-N 0 3 279.300 -1.307 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ncc(OC)cn1 ZINC001131127665 776685043 /nfs/dbraw/zinc/68/50/43/776685043.db2.gz XQURRXFOUORMBE-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2ccc(C(N)=O)o2)C1=O ZINC001131107047 776685091 /nfs/dbraw/zinc/68/50/91/776685091.db2.gz GEQXGEWNHKPLMN-QMMMGPOBSA-N 0 3 294.311 -1.071 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(OC)n(C)n1 ZINC001131124753 776685101 /nfs/dbraw/zinc/68/51/01/776685101.db2.gz CIYCCONHGZHFFY-UHFFFAOYSA-N 0 3 269.305 -1.506 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cc(OC)n(C)n1 ZINC001131127701 776685131 /nfs/dbraw/zinc/68/51/31/776685131.db2.gz ZDPICSFOFULMKD-QMMMGPOBSA-N 0 3 283.332 -1.117 20 0 CAADHN Cc1occc(=O)c1OCC(=O)NCCN[C@H](C)C(N)=O ZINC001131137962 776685245 /nfs/dbraw/zinc/68/52/45/776685245.db2.gz JQFVIYKFRLYGNV-MRVPVSSYSA-N 0 3 297.311 -1.093 20 0 CAADHN O=C(C[C@H]1CCCC(=O)N1)NCCN[C@H]1CCNC1=O ZINC001131106955 776685321 /nfs/dbraw/zinc/68/53/21/776685321.db2.gz BULZMRCANMCRLC-ZJUUUORDSA-N 0 3 282.344 -1.361 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131107229 776685345 /nfs/dbraw/zinc/68/53/45/776685345.db2.gz MOVIPUIAXMTWNA-JTQLQIEISA-N 0 3 284.360 -1.113 20 0 CAADHN COc1cc(C(=O)NCCNCC(=O)NC(N)=O)nn1C ZINC001131124943 776685485 /nfs/dbraw/zinc/68/54/85/776685485.db2.gz MHCSTAAZSGTDJU-UHFFFAOYSA-N 0 3 298.303 -2.057 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccc(C(N)=O)o1 ZINC001131107543 776685497 /nfs/dbraw/zinc/68/54/97/776685497.db2.gz XZSBJTZLHXJMDR-ZETCQYMHSA-N 0 3 282.300 -1.168 20 0 CAADHN NC(=O)CNCCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131106905 776685553 /nfs/dbraw/zinc/68/55/53/776685553.db2.gz AHQXZWNTBAIALK-MRVPVSSYSA-N 0 3 256.306 -1.764 20 0 CAADHN COc1cc(C(=O)NCCN[C@@H]2CCNC2=O)nn1C ZINC001131124906 776685576 /nfs/dbraw/zinc/68/55/76/776685576.db2.gz LFFGUHNSCJJQRE-MRVPVSSYSA-N 0 3 281.316 -1.363 20 0 CAADHN COCCn1ccc(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001131153779 776686385 /nfs/dbraw/zinc/68/63/85/776686385.db2.gz WWQHWCPCBVOYHZ-JTQLQIEISA-N 0 3 295.343 -1.263 20 0 CAADHN COc1nccc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001131188360 776686464 /nfs/dbraw/zinc/68/64/64/776686464.db2.gz PDEVSERGMSBVDJ-UHFFFAOYSA-N 0 3 296.287 -2.001 20 0 CAADHN COCCn1ccc(C(=O)NCCNCC(=O)N(C)C)n1 ZINC001131153901 776686533 /nfs/dbraw/zinc/68/65/33/776686533.db2.gz ZVSFGXSENUHYJG-UHFFFAOYSA-N 0 3 297.359 -1.063 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccnc(OC)n1 ZINC001131187915 776686870 /nfs/dbraw/zinc/68/68/70/776686870.db2.gz FXWLGWULIYSHMM-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccnc(OC)n1 ZINC001131187914 776686882 /nfs/dbraw/zinc/68/68/82/776686882.db2.gz FXWLGWULIYSHMM-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)ccc1=O)C(N)=O ZINC001131161987 776686982 /nfs/dbraw/zinc/68/69/82/776686982.db2.gz LWWSJZVCOYLBMN-QMMMGPOBSA-N 0 3 266.301 -1.422 20 0 CAADHN COc1nccc(C(=O)NCCNCC(=O)N(C)C)n1 ZINC001131188334 776687135 /nfs/dbraw/zinc/68/71/35/776687135.db2.gz OQMHEWITIJAKLE-UHFFFAOYSA-N 0 3 281.316 -1.107 20 0 CAADHN Cn1ccc(=O)c(C(=O)NCCN[C@H]2CCCNC2=O)c1 ZINC001131162033 776687221 /nfs/dbraw/zinc/68/72/21/776687221.db2.gz OEBQEYVFLXFHKX-NSHDSACASA-N 0 3 292.339 -1.017 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc2nnnn2c1)C(N)=O ZINC001131278633 776687875 /nfs/dbraw/zinc/68/78/75/776687875.db2.gz KRLHNSQNTYDGTA-ZETCQYMHSA-N 0 3 277.288 -1.683 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1ccc2nnnn2c1 ZINC001131279055 776687907 /nfs/dbraw/zinc/68/79/07/776687907.db2.gz VIBNHSWLZORJMW-SECBINFHSA-N 0 3 289.299 -1.668 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccc2nnnn2c1)C(N)=O ZINC001131279047 776687981 /nfs/dbraw/zinc/68/79/81/776687981.db2.gz UVHORDNHCSWEDD-VIFPVBQESA-N 0 3 291.315 -1.292 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc2n(n1)CCCO2 ZINC001131181768 776688209 /nfs/dbraw/zinc/68/82/09/776688209.db2.gz HYXYOGGPVVILII-UHFFFAOYSA-N 0 3 267.289 -1.530 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc2n(n1)CCCO2)C(N)=O ZINC001131181599 776688299 /nfs/dbraw/zinc/68/82/99/776688299.db2.gz AIPDDVRPVDDRBX-MRVPVSSYSA-N 0 3 281.316 -1.141 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC001158312923 776688453 /nfs/dbraw/zinc/68/84/53/776688453.db2.gz GDEAYVMWOXKOLQ-MAUMQABQSA-N 0 3 268.317 -1.828 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@H]2CCNC2=O)n(C)n1 ZINC001131285102 776688547 /nfs/dbraw/zinc/68/85/47/776688547.db2.gz ZZLNEQQATSRXJC-NSHDSACASA-N 0 3 279.344 -1.135 20 0 CAADHN CC(C)N1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090500005 776689377 /nfs/dbraw/zinc/68/93/77/776689377.db2.gz LMZVUZLCKSLCIO-BDAKNGLRSA-N 0 3 268.321 -1.217 20 0 CAADHN C[C@H](NCCNC(=O)CCc1cncnc1)C(N)=O ZINC001131348882 776689435 /nfs/dbraw/zinc/68/94/35/776689435.db2.gz RPLVZTPHNOTWSG-VIFPVBQESA-N 0 3 265.317 -1.011 20 0 CAADHN C[C@H](NCCNC(=O)c1cnc2nccn2c1)C(N)=O ZINC001131343240 776689458 /nfs/dbraw/zinc/68/94/58/776689458.db2.gz ZIJKPNYIKZPIOO-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN COCC(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001131326166 776689585 /nfs/dbraw/zinc/68/95/85/776689585.db2.gz LQXJVMJNPHVQAP-QMMMGPOBSA-N 0 3 288.348 -1.052 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001131363201 776689598 /nfs/dbraw/zinc/68/95/98/776689598.db2.gz ZGSYKFQVGJMZCX-QMMMGPOBSA-N 0 3 296.327 -1.163 20 0 CAADHN COCC(C)(C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001131326165 776689620 /nfs/dbraw/zinc/68/96/20/776689620.db2.gz LQXJVMJNPHVQAP-MRVPVSSYSA-N 0 3 288.348 -1.052 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001131363200 776689649 /nfs/dbraw/zinc/68/96/49/776689649.db2.gz ZGSYKFQVGJMZCX-MRVPVSSYSA-N 0 3 296.327 -1.163 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1cncnc1 ZINC001131348680 776689795 /nfs/dbraw/zinc/68/97/95/776689795.db2.gz IUHORVIAEVQXPL-UHFFFAOYSA-N 0 3 294.315 -1.690 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCc1ccon1 ZINC001131345102 776689842 /nfs/dbraw/zinc/68/98/42/776689842.db2.gz YNQCFCSLFADSFX-UHFFFAOYSA-N 0 3 297.315 -1.231 20 0 CAADHN CCCN1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090500024 776689854 /nfs/dbraw/zinc/68/98/54/776689854.db2.gz LTBNXYJMOUXMDP-RKDXNWHRSA-N 0 3 268.321 -1.215 20 0 CAADHN Cn1c(Cl)ncc1C(=O)NCCNCC(N)=O ZINC001131331836 776690053 /nfs/dbraw/zinc/69/00/53/776690053.db2.gz GWAKUVMTJNHPIO-UHFFFAOYSA-N 0 3 259.697 -1.122 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCc2nncn2CC1)C(N)=O ZINC001131508619 776691019 /nfs/dbraw/zinc/69/10/19/776691019.db2.gz LGDZLFHDQJWBGW-NXEZZACHSA-N 0 3 294.359 -1.190 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCc2nncn2CC1)C(N)=O ZINC001131508622 776691032 /nfs/dbraw/zinc/69/10/32/776691032.db2.gz LGDZLFHDQJWBGW-ZJUUUORDSA-N 0 3 294.359 -1.190 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cc(F)c[nH]1 ZINC001131463237 776691523 /nfs/dbraw/zinc/69/15/23/776691523.db2.gz QOCKLGALPJOADI-UHFFFAOYSA-N 0 3 271.252 -1.332 20 0 CAADHN Cc1cncn1CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001131380374 776691632 /nfs/dbraw/zinc/69/16/32/776691632.db2.gz KDIULPHQUGSUOE-JTQLQIEISA-N 0 3 293.327 -1.297 20 0 CAADHN O=C(Cc1ccc(=O)[nH]c1)NCCN[C@H]1CCNC1=O ZINC001131459342 776691641 /nfs/dbraw/zinc/69/16/41/776691641.db2.gz WCXJYPQFWBBUEC-JTQLQIEISA-N 0 3 278.312 -1.076 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCC(F)F ZINC001131393935 776691761 /nfs/dbraw/zinc/69/17/61/776691761.db2.gz CYGWEULDWBTZQN-UHFFFAOYSA-N 0 3 266.248 -1.068 20 0 CAADHN C[C@H](NCCNC(=O)Cc1ccc(=O)[nH]c1)C(N)=O ZINC001131453600 776691808 /nfs/dbraw/zinc/69/18/08/776691808.db2.gz SHEBWFFNMRMECB-QMMMGPOBSA-N 0 3 266.301 -1.091 20 0 CAADHN NC(=O)CNCCNC(=O)CN1CCCCS1(=O)=O ZINC001131389239 776691829 /nfs/dbraw/zinc/69/18/29/776691829.db2.gz XAAZVFDZIKFASF-UHFFFAOYSA-N 0 3 292.361 -2.397 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2nncn2CC1 ZINC001131504169 776691844 /nfs/dbraw/zinc/69/18/44/776691844.db2.gz PCMULJGGYYTONL-JTQLQIEISA-N 0 3 294.359 -1.318 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)NC(N)=O)ncc1=O ZINC001131537056 776692866 /nfs/dbraw/zinc/69/28/66/776692866.db2.gz VBCSKJKGAKASPT-UHFFFAOYSA-N 0 3 296.287 -2.705 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)NC2CC2)ncc1=O ZINC001131536398 776693011 /nfs/dbraw/zinc/69/30/11/776693011.db2.gz ITXLFWOSFMSHKN-UHFFFAOYSA-N 0 3 293.327 -1.622 20 0 CAADHN Cn1cc(C(=O)NCCNCC(N)=O)ncc1=O ZINC001131536846 776693128 /nfs/dbraw/zinc/69/31/28/776693128.db2.gz QUFUQEJGURTVEN-UHFFFAOYSA-N 0 3 253.262 -2.415 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCCNC2=O)ncc1=O ZINC001131537092 776693291 /nfs/dbraw/zinc/69/32/91/776693291.db2.gz WCFKQGLZSRXYLL-SECBINFHSA-N 0 3 293.327 -1.622 20 0 CAADHN C[C@H](Nc1nn(C)c(=O)n(C)c1=O)[C@H]1CNCCO1 ZINC001170569114 776693333 /nfs/dbraw/zinc/69/33/33/776693333.db2.gz IAJYTXJYXZWKJM-JGVFFNPUSA-N 0 3 269.305 -1.732 20 0 CAADHN C[C@H]1CO[C@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001131531692 776693739 /nfs/dbraw/zinc/69/37/39/776693739.db2.gz ZSWLIIIYNNOZLO-ZJUUUORDSA-N 0 3 293.389 -1.334 20 0 CAADHN C[C@@H]1CO[C@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001131531689 776693757 /nfs/dbraw/zinc/69/37/57/776693757.db2.gz ZSWLIIIYNNOZLO-UWVGGRQHSA-N 0 3 293.389 -1.334 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H](C)CO1 ZINC001131527720 776693882 /nfs/dbraw/zinc/69/38/82/776693882.db2.gz ZXUSOBXPGBFVED-DTWKUNHWSA-N 0 3 286.332 -1.427 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CNS(=O)(=O)NC ZINC001131831464 776705864 /nfs/dbraw/zinc/70/58/64/776705864.db2.gz DLEFOIZMWCIYGV-ZETCQYMHSA-N 0 3 295.365 -3.120 20 0 CAADHN C[C@H]1CO[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001131526591 776693962 /nfs/dbraw/zinc/69/39/62/776693962.db2.gz ATGUOIQCHOMHDU-HTQZYQBOSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131513011 776694158 /nfs/dbraw/zinc/69/41/58/776694158.db2.gz ADOAQQCXOPNTKU-ULHKAFAUSA-N 0 3 267.329 -1.138 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090501512 776694649 /nfs/dbraw/zinc/69/46/49/776694649.db2.gz ZHCNCEXYMVQUKI-HTQZYQBOSA-N 0 3 254.294 -1.605 20 0 CAADHN CCn1cc(CC(=O)NCCN[C@@H](C)C(=O)NC)nn1 ZINC001131625161 776694690 /nfs/dbraw/zinc/69/46/90/776694690.db2.gz ZTMFMIJIHPZUET-VIFPVBQESA-N 0 3 282.348 -1.319 20 0 CAADHN CCn1cc(CC(=O)NCCN[C@H](C)C(=O)NC)nn1 ZINC001131625160 776694785 /nfs/dbraw/zinc/69/47/85/776694785.db2.gz ZTMFMIJIHPZUET-SECBINFHSA-N 0 3 282.348 -1.319 20 0 CAADHN CCn1cc(CC(=O)NCCNCC(=O)N(C)C)nn1 ZINC001131621842 776694854 /nfs/dbraw/zinc/69/48/54/776694854.db2.gz ICLSYFFDSAXUAZ-UHFFFAOYSA-N 0 3 282.348 -1.366 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cn(C)c(=O)cn1)C(N)=O ZINC001131539282 776695052 /nfs/dbraw/zinc/69/50/52/776695052.db2.gz LBESNLNJURKANJ-MRVPVSSYSA-N 0 3 281.316 -1.636 20 0 CAADHN CCn1cc(CC(=O)NCCN[C@@H]2CCN(C)C2=O)nn1 ZINC001131624285 776695138 /nfs/dbraw/zinc/69/51/38/776695138.db2.gz DWOZLRBVNYYOKA-LLVKDONJSA-N 0 3 294.359 -1.223 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090501293 776695158 /nfs/dbraw/zinc/69/51/58/776695158.db2.gz WQQXWTMOWPHEHQ-RKDXNWHRSA-N 0 3 284.320 -2.243 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(C)c(=O)cn1 ZINC001131540044 776695311 /nfs/dbraw/zinc/69/53/11/776695311.db2.gz UXHYTDYEUURVGW-UHFFFAOYSA-N 0 3 267.289 -2.154 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001131565890 776695538 /nfs/dbraw/zinc/69/55/38/776695538.db2.gz GSEDDNFBKVQGRM-KOLCDFICSA-N 0 3 255.318 -1.007 20 0 CAADHN CCn1cc(CC(=O)NCCN[C@@H](C)C(N)=O)nn1 ZINC001131621914 776695690 /nfs/dbraw/zinc/69/56/90/776695690.db2.gz LDNJKJWMPLCCFH-QMMMGPOBSA-N 0 3 268.321 -1.580 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(Cn2ccnn2)o1 ZINC001131622035 776695699 /nfs/dbraw/zinc/69/56/99/776695699.db2.gz PZPQBEIRWQYAPY-UHFFFAOYSA-N 0 3 292.299 -1.276 20 0 CAADHN CCn1cc(CC(=O)NCCN[C@H](C)C(N)=O)nn1 ZINC001131621913 776695770 /nfs/dbraw/zinc/69/57/70/776695770.db2.gz LDNJKJWMPLCCFH-MRVPVSSYSA-N 0 3 268.321 -1.580 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](C)O[C@]2(CCN(CCO)C2)C1 ZINC001131624101 776695802 /nfs/dbraw/zinc/69/58/02/776695802.db2.gz GPJBVIAYWUQHGB-FZMZJTMJSA-N 0 3 299.371 -1.193 20 0 CAADHN CCn1cc(CC(=O)NCCN[C@H]2CCNC2=O)nn1 ZINC001131622220 776695844 /nfs/dbraw/zinc/69/58/44/776695844.db2.gz YSOQWJNOJFITOC-JTQLQIEISA-N 0 3 280.332 -1.565 20 0 CAADHN CC[C@H](NCCNC(=O)Cc1cn(CC)nn1)C(N)=O ZINC001131624593 776695937 /nfs/dbraw/zinc/69/59/37/776695937.db2.gz KLKSXWZMIMATQB-JTQLQIEISA-N 0 3 282.348 -1.190 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2nc(C)nn2C1 ZINC001131635876 776696710 /nfs/dbraw/zinc/69/67/10/776696710.db2.gz ATWOEVDXACEVJG-SNVBAGLBSA-N 0 3 294.359 -1.399 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001131672459 776696740 /nfs/dbraw/zinc/69/67/40/776696740.db2.gz SSGLZWLDSFPMBN-QMMMGPOBSA-N 0 3 280.288 -2.443 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131641070 776696916 /nfs/dbraw/zinc/69/69/16/776696916.db2.gz HNHFXJQGGHTYBR-JBLDHEPKSA-N 0 3 285.344 -1.510 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131641275 776696975 /nfs/dbraw/zinc/69/69/75/776696975.db2.gz MGEUBPXXRTXVNY-NNYUYHANSA-N 0 3 297.355 -1.368 20 0 CAADHN Cn1ccnc1CCC(=O)NCCNCC(=O)NC(N)=O ZINC001131640103 776697014 /nfs/dbraw/zinc/69/70/14/776697014.db2.gz XRXYKQKAZWVYEP-UHFFFAOYSA-N 0 3 296.331 -1.747 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CNC(=O)C1)C(=O)NC1CC1 ZINC001131680133 776697115 /nfs/dbraw/zinc/69/71/15/776697115.db2.gz DSDDAGRLRJYZJD-OTYXRUKQSA-N 0 3 296.371 -1.115 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131641274 776697174 /nfs/dbraw/zinc/69/71/74/776697174.db2.gz MGEUBPXXRTXVNY-FIQHERPVSA-N 0 3 297.355 -1.368 20 0 CAADHN CC[C@@H]1C[C@H](C(=O)NCCNCC(=O)NC)CC(=O)N1 ZINC001131672613 776697204 /nfs/dbraw/zinc/69/72/04/776697204.db2.gz XTWFCUXAXKADQA-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)CC(=O)N1C[C@H](C)O[C@@]2(CCN(CCO)C2)C1 ZINC001131651808 776697250 /nfs/dbraw/zinc/69/72/50/776697250.db2.gz BFMYKMYYFJLWDU-SMDDNHRTSA-N 0 3 299.371 -1.193 20 0 CAADHN Cc1nc2n(n1)C[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)CC2 ZINC001131636775 776697271 /nfs/dbraw/zinc/69/72/71/776697271.db2.gz PJNZZPQLEAOBLO-WPRPVWTQSA-N 0 3 294.359 -1.271 20 0 CAADHN C[C@H](NCCNC(=O)CCc1nccn1C)C(N)=O ZINC001131641240 776697333 /nfs/dbraw/zinc/69/73/33/776697333.db2.gz KUPBLWVJSCLKGW-VIFPVBQESA-N 0 3 267.333 -1.068 20 0 CAADHN Cc1nc2n(n1)C[C@H](C(=O)NCCN[C@H](C)C(N)=O)CC2 ZINC001131636772 776697394 /nfs/dbraw/zinc/69/73/94/776697394.db2.gz PJNZZPQLEAOBLO-PSASIEDQSA-N 0 3 294.359 -1.271 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131640992 776697632 /nfs/dbraw/zinc/69/76/32/776697632.db2.gz DSIMUDRFRMVYDU-GMXVVIOVSA-N 0 3 299.371 -1.168 20 0 CAADHN C[C@]1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CNC(=O)C1 ZINC001131685794 776698442 /nfs/dbraw/zinc/69/84/42/776698442.db2.gz YSPLYGYTHAYNMA-ISVAXAHUSA-N 0 3 296.327 -1.976 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131684228 776698469 /nfs/dbraw/zinc/69/84/69/776698469.db2.gz CNBNWNFYHJYYFA-ZDUSSCGKSA-N 0 3 284.360 -1.255 20 0 CAADHN C[C@@H]1OCC[C@]1(C)C(=O)NCCNCC(=O)NC(N)=O ZINC001131685954 776698478 /nfs/dbraw/zinc/69/84/78/776698478.db2.gz ZJTZGROPIGCASI-UFBFGSQYSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H](NCCNC(=O)[C@@]1(C)CNC(=O)C1)C(N)=O ZINC001131681332 776698485 /nfs/dbraw/zinc/69/84/85/776698485.db2.gz ZSYALANLOQLABY-WRWORJQWSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@]1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CNC(=O)C1 ZINC001131685793 776698493 /nfs/dbraw/zinc/69/84/93/776698493.db2.gz YSPLYGYTHAYNMA-AMIZOPFISA-N 0 3 296.327 -1.976 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@]1(C)CNC(=O)C1)C(N)=O ZINC001131689107 776698533 /nfs/dbraw/zinc/69/85/33/776698533.db2.gz AOOMKFYMRAHMPK-QPUJVOFHSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131684412 776698593 /nfs/dbraw/zinc/69/85/93/776698593.db2.gz GDKFOOJSJCFKLI-LBPRGKRZSA-N 0 3 299.331 -2.326 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@@]2(C)CNC(=O)C2)C1=O ZINC001131684579 776698730 /nfs/dbraw/zinc/69/87/30/776698730.db2.gz IPOMGEYXKLMMTE-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CNC(=O)C1)C(=O)NC(N)=O ZINC001131680614 776698744 /nfs/dbraw/zinc/69/87/44/776698744.db2.gz NHUMIAAIDIXJLE-MADCSZMMSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@H]1OCC[C@@]1(C)C(=O)NCCNCC(=O)NC(N)=O ZINC001131685949 776698782 /nfs/dbraw/zinc/69/87/82/776698782.db2.gz ZJTZGROPIGCASI-PRHODGIISA-N 0 3 286.332 -1.298 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131689897 776698821 /nfs/dbraw/zinc/69/88/21/776698821.db2.gz MWEOFZNJTKFAOY-AWEZNQCLSA-N 0 3 298.387 -1.009 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)NC2CC2)CNC(=O)C1 ZINC001131684507 776698895 /nfs/dbraw/zinc/69/88/95/776698895.db2.gz HVTGDQKXSSBHIK-CYBMUJFWSA-N 0 3 282.344 -1.503 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131684411 776698925 /nfs/dbraw/zinc/69/89/25/776698925.db2.gz GDKFOOJSJCFKLI-GFCCVEGCSA-N 0 3 299.331 -2.326 20 0 CAADHN C[C@]1(C(=O)NCCN[C@@H]2CCCNC2=O)CNC(=O)C1 ZINC001131684969 776698942 /nfs/dbraw/zinc/69/89/42/776698942.db2.gz PXEAVFGBPDMFRM-NOZJJQNGSA-N 0 3 282.344 -1.503 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131684227 776699084 /nfs/dbraw/zinc/69/90/84/776699084.db2.gz CNBNWNFYHJYYFA-CYBMUJFWSA-N 0 3 284.360 -1.255 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@]1(C)CNC(=O)C1)C(=O)NC1CC1 ZINC001131680135 776699216 /nfs/dbraw/zinc/69/92/16/776699216.db2.gz DSDDAGRLRJYZJD-YMTOWFKASA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@]1(C(=O)NCCN[C@H]2CCNC2=O)CNC(=O)C1 ZINC001131684967 776699261 /nfs/dbraw/zinc/69/92/61/776699261.db2.gz PWSWUKYQIDIFCQ-QPUJVOFHSA-N 0 3 268.317 -1.893 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)NC(N)=O)CNC(=O)C1 ZINC001131685379 776699325 /nfs/dbraw/zinc/69/93/25/776699325.db2.gz UOHCIDSPTWERNN-LLVKDONJSA-N 0 3 285.304 -2.587 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131685094 776699447 /nfs/dbraw/zinc/69/94/47/776699447.db2.gz QLOWDESHXNSEEB-ZDUSSCGKSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CNC(=O)C1)C(N)=O ZINC001131681330 776699516 /nfs/dbraw/zinc/69/95/16/776699516.db2.gz ZSYALANLOQLABY-HQJQHLMTSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CNC(=O)C1)C(=O)N(C)C ZINC001131690492 776700034 /nfs/dbraw/zinc/70/00/34/776700034.db2.gz YGHOFLLKOKBTRV-ZANVPECISA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131689898 776700357 /nfs/dbraw/zinc/70/03/57/776700357.db2.gz MWEOFZNJTKFAOY-CQSZACIVSA-N 0 3 298.387 -1.009 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131675876 776700428 /nfs/dbraw/zinc/70/04/28/776700428.db2.gz CKOUTSNHKQWION-ZDUSSCGKSA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)N2CCCC2)CNC(=O)C1 ZINC001131675606 776700693 /nfs/dbraw/zinc/70/06/93/776700693.db2.gz ANZSKQLGHGYFCF-AWEZNQCLSA-N 0 3 296.371 -1.159 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@]2(C)CNC(=O)C2)C1=O ZINC001131690286 776700904 /nfs/dbraw/zinc/70/09/04/776700904.db2.gz UNHWWNXXYIYMDK-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)C(N)=O ZINC001131676594 776700932 /nfs/dbraw/zinc/70/09/32/776700932.db2.gz KZVQVADYWRRDSU-APPZFPTMSA-N 0 3 294.315 -2.055 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)N2CCCC2)CNC(=O)C1 ZINC001131675607 776701031 /nfs/dbraw/zinc/70/10/31/776701031.db2.gz ANZSKQLGHGYFCF-CQSZACIVSA-N 0 3 296.371 -1.159 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1ncn(C)c1=O)C(N)=O ZINC001131768929 776701902 /nfs/dbraw/zinc/70/19/02/776701902.db2.gz JAXDQIGLUIIPBT-MRVPVSSYSA-N 0 3 284.320 -2.449 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCn1ncn(C)c1=O ZINC001131762402 776702063 /nfs/dbraw/zinc/70/20/63/776702063.db2.gz ACLAFMJRNSMYLP-UHFFFAOYSA-N 0 3 298.347 -2.234 20 0 CAADHN Cc1nccc(CCC(=O)NCCNCC(N)=O)n1 ZINC001131760366 776702090 /nfs/dbraw/zinc/70/20/90/776702090.db2.gz QAUPDHSPTMCHCW-UHFFFAOYSA-N 0 3 265.317 -1.091 20 0 CAADHN C[C@H](NCCNC(=O)COCC(F)F)C(=O)NC(N)=O ZINC001131772009 776702120 /nfs/dbraw/zinc/70/21/20/776702120.db2.gz PYXAHHDXMDZFPZ-LURJTMIESA-N 0 3 296.274 -1.443 20 0 CAADHN CCC[C@H](C(=O)NCCN[C@H](C)C(N)=O)S(N)(=O)=O ZINC001131777553 776702207 /nfs/dbraw/zinc/70/22/07/776702207.db2.gz OBIAZQKFPFCXOA-HTQZYQBOSA-N 0 3 294.377 -1.977 20 0 CAADHN O=C(COCC(F)F)NCCN[C@H]1CCC(=O)NC1=O ZINC001131765540 776702294 /nfs/dbraw/zinc/70/22/94/776702294.db2.gz AIIKTSWQHWXPGD-ZETCQYMHSA-N 0 3 293.270 -1.221 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)COCC(F)F ZINC001131765764 776702401 /nfs/dbraw/zinc/70/24/01/776702401.db2.gz KNNZVYKMNJZTMS-UHFFFAOYSA-N 0 3 282.247 -1.831 20 0 CAADHN CCC[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)S(N)(=O)=O ZINC001131777556 776702490 /nfs/dbraw/zinc/70/24/90/776702490.db2.gz OBIAZQKFPFCXOA-YUMQZZPRSA-N 0 3 294.377 -1.977 20 0 CAADHN C[C@H](NCCNC(=O)CCn1ncn(C)c1=O)C(N)=O ZINC001131768930 776702526 /nfs/dbraw/zinc/70/25/26/776702526.db2.gz JAXDQIGLUIIPBT-QMMMGPOBSA-N 0 3 284.320 -2.449 20 0 CAADHN C[C@H](NCCNC(=O)COCC(F)F)C(N)=O ZINC001131765968 776702687 /nfs/dbraw/zinc/70/26/87/776702687.db2.gz SZLGRVWTNISGHS-LURJTMIESA-N 0 3 253.249 -1.152 20 0 CAADHN CCC[C@H](C(=O)NCCNCC(=O)NC)S(N)(=O)=O ZINC001131774903 776702778 /nfs/dbraw/zinc/70/27/78/776702778.db2.gz XOZWGTMMURAFLL-MRVPVSSYSA-N 0 3 294.377 -2.105 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CCNC(=O)CC1 ZINC001131840437 776703460 /nfs/dbraw/zinc/70/34/60/776703460.db2.gz KLLHMRGVBLBSHS-VHSXEESVSA-N 0 3 282.344 -1.503 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCNC(=O)CC1 ZINC001131840435 776703511 /nfs/dbraw/zinc/70/35/11/776703511.db2.gz KLLHMRGVBLBSHS-NXEZZACHSA-N 0 3 282.344 -1.503 20 0 CAADHN NC(=O)CNCCNC(=O)c1coc(C(N)=O)c1 ZINC001131782850 776703675 /nfs/dbraw/zinc/70/36/75/776703675.db2.gz JXDUJZDKOROJNI-UHFFFAOYSA-N 0 3 254.246 -1.817 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2coc(C(N)=O)c2)C1=O ZINC001131786337 776703827 /nfs/dbraw/zinc/70/38/27/776703827.db2.gz NXALSMRLTOXAPI-VIFPVBQESA-N 0 3 294.311 -1.071 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2coc(C(N)=O)c2)C1=O ZINC001131786336 776703991 /nfs/dbraw/zinc/70/39/91/776703991.db2.gz NXALSMRLTOXAPI-SECBINFHSA-N 0 3 294.311 -1.071 20 0 CAADHN C[C@H](NCCNC(=O)c1coc(C(N)=O)c1)C(N)=O ZINC001131783077 776704063 /nfs/dbraw/zinc/70/40/63/776704063.db2.gz SVERTVWUXSBLRP-LURJTMIESA-N 0 3 268.273 -1.428 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1COCCN1CC1CCC1 ZINC001131822494 776704219 /nfs/dbraw/zinc/70/42/19/776704219.db2.gz PRNWTRKQIMEVOP-LBPRGKRZSA-N 0 3 298.387 -1.322 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131840395 776704230 /nfs/dbraw/zinc/70/42/30/776704230.db2.gz JLAJJCIWIIKFKK-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@@H](NCCNC(=O)c1coc(C(N)=O)c1)C(N)=O ZINC001131783078 776704278 /nfs/dbraw/zinc/70/42/78/776704278.db2.gz SVERTVWUXSBLRP-ZCFIWIBFSA-N 0 3 268.273 -1.428 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131840275 776704338 /nfs/dbraw/zinc/70/43/38/776704338.db2.gz GIDQFIQHFAOVKC-JTQLQIEISA-N 0 3 284.360 -1.255 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001131840223 776704362 /nfs/dbraw/zinc/70/43/62/776704362.db2.gz DRIFZTYMRWWINF-MRVPVSSYSA-N 0 3 299.331 -2.197 20 0 CAADHN CNC(=O)CNCCNC(=O)c1coc(C(N)=O)c1 ZINC001131782719 776704395 /nfs/dbraw/zinc/70/43/95/776704395.db2.gz CIKPLSDGWMJWSD-UHFFFAOYSA-N 0 3 268.273 -1.556 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CNS(=O)(=O)NC ZINC001131831463 776705193 /nfs/dbraw/zinc/70/51/93/776705193.db2.gz DLEFOIZMWCIYGV-SSDOTTSWSA-N 0 3 295.365 -3.120 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1coc(C(N)=O)c1 ZINC001131786066 776704586 /nfs/dbraw/zinc/70/45/86/776704586.db2.gz DGLRRXQZZWDXFT-SSDOTTSWSA-N 0 3 282.300 -1.168 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCNC/C=C/Cl ZINC001131836950 776705370 /nfs/dbraw/zinc/70/53/70/776705370.db2.gz IJYVDBGNLVWKIU-NSCUHMNNSA-N 0 3 284.769 -1.502 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCNC(=O)CC1)C(N)=O ZINC001131844898 776705565 /nfs/dbraw/zinc/70/55/65/776705565.db2.gz OXCCHRDAEAQSLM-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCNC(=O)CC2)C1=O ZINC001131845440 776705666 /nfs/dbraw/zinc/70/56/66/776705666.db2.gz ZOZDNNVMOCQXEY-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNS(=O)(=O)NC ZINC001131831718 776705942 /nfs/dbraw/zinc/70/59/42/776705942.db2.gz NNTIHSHYDBCCGB-UHFFFAOYSA-N 0 3 295.365 -3.118 20 0 CAADHN CC[C@@H](NCCNC(=O)CNS(=O)(=O)NC)C(N)=O ZINC001131831875 776706094 /nfs/dbraw/zinc/70/60/94/776706094.db2.gz TXOBDSWNLVNHLE-SSDOTTSWSA-N 0 3 295.365 -2.990 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001131877543 776706684 /nfs/dbraw/zinc/70/66/84/776706684.db2.gz HFQQILADTSQUCH-GFCCVEGCSA-N 0 3 297.359 -1.051 20 0 CAADHN CO[C@@H](C(=O)NCCN[C@H](C)C(N)=O)c1cnn(C)c1 ZINC001131877717 776706710 /nfs/dbraw/zinc/70/67/10/776706710.db2.gz LEGVGGIYHQZDHF-PSASIEDQSA-N 0 3 283.332 -1.313 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001131878300 776706924 /nfs/dbraw/zinc/70/69/24/776706924.db2.gz ZWAUFAYFHXGXEN-ONGXEEELSA-N 0 3 297.359 -1.052 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001131878298 776707125 /nfs/dbraw/zinc/70/71/25/776707125.db2.gz ZWAUFAYFHXGXEN-KOLCDFICSA-N 0 3 297.359 -1.052 20 0 CAADHN CCO[C@@H](C(=O)NCCNCC(N)=O)[C@H]1CCOC1 ZINC001131888887 776707233 /nfs/dbraw/zinc/70/72/33/776707233.db2.gz DEYZFQGVRHBJKX-GXSJLCMTSA-N 0 3 273.333 -1.381 20 0 CAADHN CCO[C@H](C(=O)NCCNCC(=O)NC)[C@H]1CCOC1 ZINC001131884311 776707344 /nfs/dbraw/zinc/70/73/44/776707344.db2.gz JYTAAOGINARGJH-JQWIXIFHSA-N 0 3 287.360 -1.120 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001131878299 776707409 /nfs/dbraw/zinc/70/74/09/776707409.db2.gz ZWAUFAYFHXGXEN-MWLCHTKSSA-N 0 3 297.359 -1.052 20 0 CAADHN CO[C@@H](C(=O)NCCNCC(N)=O)c1cnn(C)c1 ZINC001131878068 776707424 /nfs/dbraw/zinc/70/74/24/776707424.db2.gz UMNNEMLPHWOJSK-SNVBAGLBSA-N 0 3 269.305 -1.701 20 0 CAADHN CO[C@H](C(=O)NCCNCC(N)=O)[C@@H]1CCOC1 ZINC001131884141 776707798 /nfs/dbraw/zinc/70/77/98/776707798.db2.gz HFZWGBUGYRDJPV-SCZZXKLOSA-N 0 3 259.306 -1.771 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001132344719 776725660 /nfs/dbraw/zinc/72/56/60/776725660.db2.gz JJEZLBFDRCHDKW-IUCAKERBSA-N 0 3 272.349 -1.320 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@]1(COC)CCOC1 ZINC001131902200 776708481 /nfs/dbraw/zinc/70/84/81/776708481.db2.gz LWYBJYXFMRVBFZ-CYBMUJFWSA-N 0 3 287.360 -1.119 20 0 CAADHN COc1nc(C(=O)NCCN[C@@H](C)C(N)=O)co1 ZINC001131920724 776708535 /nfs/dbraw/zinc/70/85/35/776708535.db2.gz FBWKJLQJTARJOB-LURJTMIESA-N 0 3 256.262 -1.124 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001131908319 776708809 /nfs/dbraw/zinc/70/88/09/776708809.db2.gz UXJFLDKRKNOSPW-SECBINFHSA-N 0 3 295.343 -1.021 20 0 CAADHN COC[C@]1(C(=O)NCCN[C@H]2CCN(C)C2=O)CCOC1 ZINC001131905487 776709011 /nfs/dbraw/zinc/70/90/11/776709011.db2.gz RINIDFPBDZMCFM-SMDDNHRTSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001131881444 776709027 /nfs/dbraw/zinc/70/90/27/776709027.db2.gz QZVYYOQYXUBFBI-ONGXEEELSA-N 0 3 273.333 -1.510 20 0 CAADHN COC[C@]1(C(=O)NCCN[C@@H]2CCN(C)C2=O)CCOC1 ZINC001131905484 776709079 /nfs/dbraw/zinc/70/90/79/776709079.db2.gz RINIDFPBDZMCFM-BXUZGUMPSA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)CNCCNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC001131907395 776709119 /nfs/dbraw/zinc/70/91/19/776709119.db2.gz KCKIQXUDYKURQZ-QMMMGPOBSA-N 0 3 281.316 -1.282 20 0 CAADHN CO[C@@H](C(=O)NCCNCC(=O)N1CCC1)[C@@H]1CCOC1 ZINC001131881256 776709246 /nfs/dbraw/zinc/70/92/46/776709246.db2.gz PPGCUKCVUGTDAN-DGCLKSJQSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC001131908320 776709372 /nfs/dbraw/zinc/70/93/72/776709372.db2.gz UXJFLDKRKNOSPW-VIFPVBQESA-N 0 3 295.343 -1.021 20 0 CAADHN COC[C@@]1(C(=O)NCCN[C@@H](C)C(N)=O)CCOC1 ZINC001131902116 776709451 /nfs/dbraw/zinc/70/94/51/776709451.db2.gz KMVGNLRFCLPMOV-CABZTGNLSA-N 0 3 273.333 -1.381 20 0 CAADHN COC[C@]1(C(=O)NCCN[C@@H](C)C(N)=O)CCOC1 ZINC001131902117 776709499 /nfs/dbraw/zinc/70/94/99/776709499.db2.gz KMVGNLRFCLPMOV-JOYOIKCWSA-N 0 3 273.333 -1.381 20 0 CAADHN COC[C@@]1(C(=O)NCCN[C@H](C)C(N)=O)CCOC1 ZINC001131902118 776709571 /nfs/dbraw/zinc/70/95/71/776709571.db2.gz KMVGNLRFCLPMOV-SKDRFNHKSA-N 0 3 273.333 -1.381 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@]1(COC)CCOC1 ZINC001131900082 776709725 /nfs/dbraw/zinc/70/97/25/776709725.db2.gz ZYWYGMVZAQQKDD-LBPRGKRZSA-N 0 3 273.333 -1.509 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@]1(COC)CCOC1 ZINC001131902112 776709759 /nfs/dbraw/zinc/70/97/59/776709759.db2.gz KITCKMRUVUJNPU-GXFFZTMASA-N 0 3 287.360 -1.120 20 0 CAADHN COc1nc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)co1 ZINC001131924820 776710544 /nfs/dbraw/zinc/71/05/44/776710544.db2.gz FUURMXYPBGEETG-ZETCQYMHSA-N 0 3 296.283 -1.192 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1csnn1 ZINC001131971875 776711213 /nfs/dbraw/zinc/71/12/13/776711213.db2.gz ARCSTHJSILDJNK-UHFFFAOYSA-N 0 3 272.290 -1.948 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1csnn1 ZINC001131972427 776711460 /nfs/dbraw/zinc/71/14/60/776711460.db2.gz MJKLNRMTYVSKRC-ZCFIWIBFSA-N 0 3 255.303 -1.254 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1csnn1 ZINC001131979474 776711837 /nfs/dbraw/zinc/71/18/37/776711837.db2.gz PLWKICSUEZAIDQ-ZCFIWIBFSA-N 0 3 257.319 -1.008 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnco1 ZINC001132029886 776712750 /nfs/dbraw/zinc/71/27/50/776712750.db2.gz JGDJGNRDZKZKNH-UHFFFAOYSA-N 0 3 269.261 -1.550 20 0 CAADHN Cc1nn(C)c(C)c1C(=O)NCCNCC(=O)NC(N)=O ZINC001132049836 776712825 /nfs/dbraw/zinc/71/28/25/776712825.db2.gz QKEMMBGNWGAWNY-UHFFFAOYSA-N 0 3 296.331 -1.449 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cnco1 ZINC001132030023 776712853 /nfs/dbraw/zinc/71/28/53/776712853.db2.gz KBIORIKGPXKXMD-UHFFFAOYSA-N 0 3 255.234 -1.811 20 0 CAADHN Cc1nc(C(=O)NCCNCCF)nn1-c1nc[nH]n1 ZINC001132109585 776712895 /nfs/dbraw/zinc/71/28/95/776712895.db2.gz GICWNYDYEZGZMB-UHFFFAOYSA-N 0 3 282.283 -1.017 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cnco1 ZINC001132030141 776713090 /nfs/dbraw/zinc/71/30/90/776713090.db2.gz MQBYRDBFPBXHHM-ZETCQYMHSA-N 0 3 266.257 -1.201 20 0 CAADHN O=C(CCn1ccnc1)NCCN[C@@H]1CCNC1=O ZINC001132079782 776713173 /nfs/dbraw/zinc/71/31/73/776713173.db2.gz MBVAXABJVIUMSR-SNVBAGLBSA-N 0 3 265.317 -1.133 20 0 CAADHN CC(C)(C)C(=O)NCCC(=O)NCCNCC(N)=O ZINC001132126123 776713364 /nfs/dbraw/zinc/71/33/64/776713364.db2.gz KBLPIXGJDSQPDH-UHFFFAOYSA-N 0 3 272.349 -1.270 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001090503764 776713424 /nfs/dbraw/zinc/71/34/24/776713424.db2.gz LJPVQSQJOOTDHK-MLGHIDQZSA-N 0 3 284.356 -1.187 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CC[C@@H](C)N(CCO)C1 ZINC001132081376 776713492 /nfs/dbraw/zinc/71/34/92/776713492.db2.gz AAJQIHRIAZQWHB-NXEZZACHSA-N 0 3 272.349 -1.123 20 0 CAADHN O=C(CNCCNC(=O)c1cnco1)NC(=O)NC1CC1 ZINC001132029869 776713685 /nfs/dbraw/zinc/71/36/85/776713685.db2.gz IYRCMHFTEHREFB-UHFFFAOYSA-N 0 3 295.299 -1.018 20 0 CAADHN C[C@H](NC(=O)C(C)(C)C)C(=O)NCCNCC(N)=O ZINC001132128275 776713870 /nfs/dbraw/zinc/71/38/70/776713870.db2.gz CBHVGLOUUKFQCG-QMMMGPOBSA-N 0 3 272.349 -1.272 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnco1)C(=O)NC(N)=O ZINC001132044436 776714036 /nfs/dbraw/zinc/71/40/36/776714036.db2.gz JIXRANWDXYKVOG-ZCFIWIBFSA-N 0 3 269.261 -1.423 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CC[C@@H](C)N(CCO)C1 ZINC001132081379 776714264 /nfs/dbraw/zinc/71/42/64/776714264.db2.gz AAJQIHRIAZQWHB-ZJUUUORDSA-N 0 3 272.349 -1.123 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnn2cccnc12 ZINC001132205391 776714759 /nfs/dbraw/zinc/71/47/59/776714759.db2.gz APESKUMLCWBBDT-UHFFFAOYSA-N 0 3 262.273 -1.466 20 0 CAADHN CCCNC(=O)C[NH2+]CCNC(=O)c1[n-]nnc1C ZINC001132209530 776714897 /nfs/dbraw/zinc/71/48/97/776714897.db2.gz DXKNFBJFFFFLMD-UHFFFAOYSA-N 0 3 268.321 -1.041 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC[NH2+]CC(=O)NC(C)C ZINC001132209641 776715004 /nfs/dbraw/zinc/71/50/04/776715004.db2.gz KIFHFPQINJQWJV-UHFFFAOYSA-N 0 3 268.321 -1.043 20 0 CAADHN Cc1n[nH]cc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001132147102 776715118 /nfs/dbraw/zinc/71/51/18/776715118.db2.gz RXSNXFSZQSWBAQ-SSDOTTSWSA-N 0 3 282.304 -1.379 20 0 CAADHN Cc1n[nH]c(=O)c(C(=O)NCCN[C@@H](C)C(N)=O)c1C ZINC001132189270 776715336 /nfs/dbraw/zinc/71/53/36/776715336.db2.gz NZMNHLLFILHXLW-QMMMGPOBSA-N 0 3 281.316 -1.008 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC[NH2+]CC(=O)NC1CC1 ZINC001132209742 776715470 /nfs/dbraw/zinc/71/54/70/776715470.db2.gz OWPZAHUYJIXDSH-UHFFFAOYSA-N 0 3 266.305 -1.289 20 0 CAADHN Cc1nn[nH]c1C(=O)NCCNCCNS(C)(=O)=O ZINC001132212591 776715489 /nfs/dbraw/zinc/71/54/89/776715489.db2.gz CSOYUPKISLWMIR-UHFFFAOYSA-N 0 3 290.349 -2.018 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1c[nH]nc1C ZINC001132143855 776715590 /nfs/dbraw/zinc/71/55/90/776715590.db2.gz VLURNDMKOMWPNJ-UHFFFAOYSA-N 0 3 296.331 -1.117 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1[n-]nnc1C ZINC001132213097 776715630 /nfs/dbraw/zinc/71/56/30/776715630.db2.gz ZLFNTRYOSRYYTK-ZETCQYMHSA-N 0 3 254.294 -1.433 20 0 CAADHN Cc1n[nH]cc1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001132144028 776715709 /nfs/dbraw/zinc/71/57/09/776715709.db2.gz YLWVVVKKWLDXKD-UHFFFAOYSA-N 0 3 295.343 -1.104 20 0 CAADHN Cc1n[nH]c(=O)c(C(=O)NCCNCC(N)=O)c1C ZINC001132188893 776715770 /nfs/dbraw/zinc/71/57/70/776715770.db2.gz GXMPMOVAJOODCR-UHFFFAOYSA-N 0 3 267.289 -1.396 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c(C)c(C)nn(C)c1=O ZINC001132174960 776715841 /nfs/dbraw/zinc/71/58/41/776715841.db2.gz NJXBDYUPNJOYTR-UHFFFAOYSA-N 0 3 295.343 -1.537 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1c[nH]nc1C ZINC001132147038 776715896 /nfs/dbraw/zinc/71/58/96/776715896.db2.gz PTPUVKCWEBCPRW-QMMMGPOBSA-N 0 3 296.331 -1.118 20 0 CAADHN Cc1n[nH]c(=O)c(C(=O)NCCN[C@H](C)C(N)=O)c1C ZINC001132189269 776715921 /nfs/dbraw/zinc/71/59/21/776715921.db2.gz NZMNHLLFILHXLW-MRVPVSSYSA-N 0 3 281.316 -1.008 20 0 CAADHN CN1C(=O)CC[C@@H]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001132256605 776716553 /nfs/dbraw/zinc/71/65/53/776716553.db2.gz BVHOHLBVNIIDPN-LLVKDONJSA-N 0 3 296.371 -1.018 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001132229407 776716850 /nfs/dbraw/zinc/71/68/50/776716850.db2.gz LHRGBADJUMTUCZ-UHFFFAOYSA-N 0 3 280.332 -1.041 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC[NH2+]CC(=O)N1CCC1 ZINC001132229448 776717114 /nfs/dbraw/zinc/71/71/14/776717114.db2.gz NFEPMCUFHLXXCW-UHFFFAOYSA-N 0 3 266.305 -1.335 20 0 CAADHN CN1C(=O)CC[C@H]1CC(=O)NCCNCC(=O)NC1CC1 ZINC001132256606 776717253 /nfs/dbraw/zinc/71/72/53/776717253.db2.gz BVHOHLBVNIIDPN-NSHDSACASA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](NCCNC(=O)Cc1ccccc1C(N)=O)C(N)=O ZINC001132229157 776717534 /nfs/dbraw/zinc/71/75/34/776717534.db2.gz DNMZGJKUXXVSKK-VIFPVBQESA-N 0 3 292.339 -1.092 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1ccccc1C(N)=O)C(N)=O ZINC001132229156 776717858 /nfs/dbraw/zinc/71/78/58/776717858.db2.gz DNMZGJKUXXVSKK-SECBINFHSA-N 0 3 292.339 -1.092 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)NCCN[C@@H]2CCNC2=O)c1=O ZINC001132242528 776717932 /nfs/dbraw/zinc/71/79/32/776717932.db2.gz RAICZEVZIITWKO-MRVPVSSYSA-N 0 3 295.299 -2.306 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@@H]1CCC(=O)N1C)C(N)=O ZINC001132260710 776718715 /nfs/dbraw/zinc/71/87/15/776718715.db2.gz DLPIKJHULMNBDU-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN COc1nn(C)cc1C(=O)NCCNCC(=O)N1CCC1 ZINC001132280892 776719092 /nfs/dbraw/zinc/71/90/92/776719092.db2.gz WRMGGRDWMFTBGF-UHFFFAOYSA-N 0 3 295.343 -1.020 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCC(=O)N1C ZINC001132261372 776719135 /nfs/dbraw/zinc/71/91/35/776719135.db2.gz NRAQHIVIQCKCJW-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN COc1nn(C)cc1C(=O)NCCN[C@@H](C)C(N)=O ZINC001132275304 776719170 /nfs/dbraw/zinc/71/91/70/776719170.db2.gz JSRNQGFRWFTCBZ-ZETCQYMHSA-N 0 3 269.305 -1.378 20 0 CAADHN CN1C(=O)CC[C@@H]1CC(=O)NCCN[C@H]1CCNC1=O ZINC001132256820 776719184 /nfs/dbraw/zinc/71/91/84/776719184.db2.gz FIVQVWMTJUOOJH-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCC(=O)N1C ZINC001132261371 776719248 /nfs/dbraw/zinc/71/92/48/776719248.db2.gz NRAQHIVIQCKCJW-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN Cn1cnc2cc(C(=O)NCCNCC(N)=O)cnc21 ZINC001132272094 776719303 /nfs/dbraw/zinc/71/93/03/776719303.db2.gz NBOKRJALLFFXHF-UHFFFAOYSA-N 0 3 276.300 -1.227 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCC(=O)N1C ZINC001132261365 776719355 /nfs/dbraw/zinc/71/93/55/776719355.db2.gz NRAQHIVIQCKCJW-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN COc1nn(C)cc1C(=O)NCCNCC(N)=O ZINC001132280950 776719441 /nfs/dbraw/zinc/71/94/41/776719441.db2.gz ZOIQIHUQBDGQLB-UHFFFAOYSA-N 0 3 255.278 -1.767 20 0 CAADHN CN1C(=O)CC[C@H]1CC(=O)NCCN[C@H]1CCNC1=O ZINC001132256814 776719670 /nfs/dbraw/zinc/71/96/70/776719670.db2.gz FIVQVWMTJUOOJH-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1ccccn1 ZINC001132263839 776719840 /nfs/dbraw/zinc/71/98/40/776719840.db2.gz UTUUYQONWNRDPO-UHFFFAOYSA-N 0 3 293.327 -1.085 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1C ZINC001132257872 776719854 /nfs/dbraw/zinc/71/98/54/776719854.db2.gz QTPWXGRXWKSVHT-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CN1C(=O)CC[C@H]1CC(=O)NCCNCC(N)=O ZINC001132257861 776719947 /nfs/dbraw/zinc/71/99/47/776719947.db2.gz QOOGKDHYEPGYLL-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CN1C(=O)CC[C@@H]1CC(=O)NCCN[C@H]1CCCNC1=O ZINC001132257584 776720000 /nfs/dbraw/zinc/72/00/00/776720000.db2.gz MJEGQOFAXIJYKC-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)CNCCNC(=O)CN1CCNC(=O)C1 ZINC001132317364 776720830 /nfs/dbraw/zinc/72/08/30/776720830.db2.gz DTYYZKXBXGNDOO-UHFFFAOYSA-N 0 3 257.294 -3.391 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCCNCc1cccnc1 ZINC001132317598 776720936 /nfs/dbraw/zinc/72/09/36/776720936.db2.gz JDGJHHDKQYQUQU-UHFFFAOYSA-N 0 3 291.355 -1.281 20 0 CAADHN O=C(CNCCNC(=O)CN1CCNC(=O)C1)NC1CC1 ZINC001132318372 776721092 /nfs/dbraw/zinc/72/10/92/776721092.db2.gz WWODPNQSBRZTIK-UHFFFAOYSA-N 0 3 297.359 -2.597 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111600 776758684 /nfs/dbraw/zinc/75/86/84/776758684.db2.gz IFGREYNJGGSIAC-ZETCQYMHSA-N 0 3 257.294 -2.490 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCCN[C@@H]1CCNC1=O ZINC001132317916 776721188 /nfs/dbraw/zinc/72/11/88/776721188.db2.gz OVMOIRGIZDDEPV-SECBINFHSA-N 0 3 283.332 -2.988 20 0 CAADHN Cn1cncc1CNCCNC(=O)CN1CCNC(=O)C1 ZINC001132318387 776721220 /nfs/dbraw/zinc/72/12/20/776721220.db2.gz XYORKBJYIBMMIV-UHFFFAOYSA-N 0 3 294.359 -1.942 20 0 CAADHN CCC[C@@H](OC)C(=O)NCCNCC(=O)NC(=O)NC ZINC001132290880 776721334 /nfs/dbraw/zinc/72/13/34/776721334.db2.gz PZDZFGISXQJKTH-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN COc1nn(C)cc1C(=O)NCCNCC(=O)NC(N)=O ZINC001132278624 776721445 /nfs/dbraw/zinc/72/14/45/776721445.db2.gz XZAQVJMPSIUGPD-UHFFFAOYSA-N 0 3 298.303 -2.057 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O)C1CC1 ZINC001132338155 776722353 /nfs/dbraw/zinc/72/23/53/776722353.db2.gz QNVZZPMOAIBIBK-WDEREUQCSA-N 0 3 296.371 -1.176 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132338096 776722455 /nfs/dbraw/zinc/72/24/55/776722455.db2.gz PUQVZYCGWHRUDX-ZJUUUORDSA-N 0 3 284.360 -1.272 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132337442 776722523 /nfs/dbraw/zinc/72/25/23/776722523.db2.gz KPODFRQWCRFTAL-SFYZADRCSA-N 0 3 299.331 -2.341 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001132337283 776722906 /nfs/dbraw/zinc/72/29/06/776722906.db2.gz IOHWMLFUYLZOJV-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132337414 776722957 /nfs/dbraw/zinc/72/29/57/776722957.db2.gz KEVOYRLSNZRACQ-NXEZZACHSA-N 0 3 284.360 -1.270 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132337305 776723110 /nfs/dbraw/zinc/72/31/10/776723110.db2.gz IWVYSGIMZRQKJE-RKDXNWHRSA-N 0 3 270.333 -1.660 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132336527 776723128 /nfs/dbraw/zinc/72/31/28/776723128.db2.gz AHMFMBKZRQQAQU-RKDXNWHRSA-N 0 3 270.333 -1.708 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132337601 776723131 /nfs/dbraw/zinc/72/31/31/776723131.db2.gz MMIQDAABRNVKLJ-JGVFFNPUSA-N 0 3 256.306 -2.050 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132337304 776723162 /nfs/dbraw/zinc/72/31/62/776723162.db2.gz IWVYSGIMZRQKJE-IUCAKERBSA-N 0 3 270.333 -1.660 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132337302 776723185 /nfs/dbraw/zinc/72/31/85/776723185.db2.gz IWVYSGIMZRQKJE-BDAKNGLRSA-N 0 3 270.333 -1.660 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001132337217 776723198 /nfs/dbraw/zinc/72/31/98/776723198.db2.gz HZBVHOKDCBBUOO-RQJHMYQMSA-N 0 3 287.320 -2.213 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001132352690 776724879 /nfs/dbraw/zinc/72/48/79/776724879.db2.gz VTSMRALSKCNVQE-HTQZYQBOSA-N 0 3 256.306 -1.908 20 0 CAADHN NC(=O)[C@@H]1CC[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001132338786 776724013 /nfs/dbraw/zinc/72/40/13/776724013.db2.gz WXYWJDYGNPOXSZ-NXEZZACHSA-N 0 3 282.344 -1.564 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001132338832 776724073 /nfs/dbraw/zinc/72/40/73/776724073.db2.gz XKUXGZVQKATURH-IUCAKERBSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCNCC(=O)NC1CC1 ZINC001132352601 776724426 /nfs/dbraw/zinc/72/44/26/776724426.db2.gz UAUFRQLOXWWLCU-QMMMGPOBSA-N 0 3 270.333 -1.518 20 0 CAADHN NC(=O)[C@@H]1CC[C@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001132337992 776724443 /nfs/dbraw/zinc/72/44/43/776724443.db2.gz PAXKHOVMZPTSHE-GHMZBOCLSA-N 0 3 296.371 -1.270 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCNC(=O)C1)C(=O)N(C)C ZINC001132320780 776724462 /nfs/dbraw/zinc/72/44/62/776724462.db2.gz SSOKOAVJWWRULD-JTQLQIEISA-N 0 3 299.375 -2.399 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001132352691 776724497 /nfs/dbraw/zinc/72/44/97/776724497.db2.gz VTSMRALSKCNVQE-JGVFFNPUSA-N 0 3 256.306 -1.908 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](C)CC(N)=O ZINC001132352232 776724562 /nfs/dbraw/zinc/72/45/62/776724562.db2.gz MBFWOBBYRAYGQH-QMMMGPOBSA-N 0 3 258.322 -1.660 20 0 CAADHN NC(=O)[C@H]1CC[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001132338789 776724682 /nfs/dbraw/zinc/72/46/82/776724682.db2.gz WXYWJDYGNPOXSZ-VHSXEESVSA-N 0 3 282.344 -1.564 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001132339117 776724843 /nfs/dbraw/zinc/72/48/43/776724843.db2.gz ZMKPLTUTISMDTJ-MNOVXSKESA-N 0 3 296.371 -1.174 20 0 CAADHN NC(=O)[C@H]1CC[C@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001132337995 776724894 /nfs/dbraw/zinc/72/48/94/776724894.db2.gz PAXKHOVMZPTSHE-WDEREUQCSA-N 0 3 296.371 -1.270 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001132345811 776725493 /nfs/dbraw/zinc/72/54/93/776725493.db2.gz VYPFUBFGHUEBJP-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](C)CC(N)=O ZINC001132344218 776725562 /nfs/dbraw/zinc/72/55/62/776725562.db2.gz CGLYQXHCPIUVHZ-SFYZADRCSA-N 0 3 258.322 -1.662 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001132342184 776726084 /nfs/dbraw/zinc/72/60/84/776726084.db2.gz XVCOQZBEBWYUTQ-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCNCC(=O)NC(N)=O ZINC001132345929 776726115 /nfs/dbraw/zinc/72/61/15/776726115.db2.gz YGKOXOPTCAXRPD-ZCFIWIBFSA-N 0 3 273.293 -2.601 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H](C)CC(N)=O)C(N)=O ZINC001132343976 776726144 /nfs/dbraw/zinc/72/61/44/776726144.db2.gz BLZVOKMRKSDIGR-SFYZADRCSA-N 0 3 258.322 -1.532 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001132344484 776726225 /nfs/dbraw/zinc/72/62/25/776726225.db2.gz HNURNIUIVTZTOT-SFYZADRCSA-N 0 3 284.316 -1.991 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001132345810 776726309 /nfs/dbraw/zinc/72/63/09/776726309.db2.gz VYPFUBFGHUEBJP-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132355758 776727211 /nfs/dbraw/zinc/72/72/11/776727211.db2.gz JTCCKJSOEYPLFU-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN Cn1c(C(=O)NCCN[C@H]2CCC(=O)NC2=O)c[nH]c1=O ZINC001132367176 776727247 /nfs/dbraw/zinc/72/72/47/776727247.db2.gz PTPHUQJSDDZHPY-ZETCQYMHSA-N 0 3 295.299 -1.750 20 0 CAADHN Cn1c(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)c[nH]c1=O ZINC001132367175 776727267 /nfs/dbraw/zinc/72/72/67/776727267.db2.gz PTPHUQJSDDZHPY-SSDOTTSWSA-N 0 3 295.299 -1.750 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001132355469 776727295 /nfs/dbraw/zinc/72/72/95/776727295.db2.gz AIKXJHDWQJHZHO-JTQLQIEISA-N 0 3 282.344 -1.551 20 0 CAADHN Cn1c(C(=O)NCCN[C@@H]2CCCNC2=O)c[nH]c1=O ZINC001132367070 776727493 /nfs/dbraw/zinc/72/74/93/776727493.db2.gz KWJNNDWUDKOMAA-MRVPVSSYSA-N 0 3 281.316 -1.276 20 0 CAADHN Cn1c(C(=O)NCCN[C@@H]2CCNC2=O)c[nH]c1=O ZINC001132367036 776727850 /nfs/dbraw/zinc/72/78/50/776727850.db2.gz JTXWKVGPQLSARL-SSDOTTSWSA-N 0 3 267.289 -1.666 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@H]1CCNC1=O ZINC001132355842 776727860 /nfs/dbraw/zinc/72/78/60/776727860.db2.gz KNKAMVVHCGTJPM-JTQLQIEISA-N 0 3 265.317 -1.238 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1c[nH]c(=O)n1C ZINC001132367641 776728219 /nfs/dbraw/zinc/72/82/19/776728219.db2.gz XYBHZBJRRKCKGS-UHFFFAOYSA-N 0 3 269.305 -1.467 20 0 CAADHN C[C@H](NCCNC(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001132367191 776728195 /nfs/dbraw/zinc/72/81/95/776728195.db2.gz QSMORQMLQPZNRC-LURJTMIESA-N 0 3 255.278 -1.681 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC1=O)NC1CC1 ZINC001132358231 776728881 /nfs/dbraw/zinc/72/88/81/776728881.db2.gz BLOQIWORURFDKA-SECBINFHSA-N 0 3 268.317 -1.893 20 0 CAADHN CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132358855 776728984 /nfs/dbraw/zinc/72/89/84/776728984.db2.gz JACNXKRZFJNIMW-QWRGUYRKSA-N 0 3 298.387 -1.011 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001132358667 776729263 /nfs/dbraw/zinc/72/92/63/776729263.db2.gz HBVXOYNQYIMSFD-SFYZADRCSA-N 0 3 254.290 -2.283 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132358926 776729358 /nfs/dbraw/zinc/72/93/58/776729358.db2.gz JLTPOGNKRORXCE-MRVPVSSYSA-N 0 3 256.306 -2.036 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001132358668 776729617 /nfs/dbraw/zinc/72/96/17/776729617.db2.gz HBVXOYNQYIMSFD-YUMQZZPRSA-N 0 3 254.290 -2.283 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC1=O)N1CCCCC1 ZINC001132356494 776729650 /nfs/dbraw/zinc/72/96/50/776729650.db2.gz XOYKQGVSYATJMR-LLVKDONJSA-N 0 3 296.371 -1.159 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC1=O)N1CCC1 ZINC001132356195 776729668 /nfs/dbraw/zinc/72/96/68/776729668.db2.gz RJEIDBLPLAABFQ-VIFPVBQESA-N 0 3 268.317 -1.939 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132358618 776729937 /nfs/dbraw/zinc/72/99/37/776729937.db2.gz GJTSJFZQWHXDGQ-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@H]2CCNC2=O)cn1 ZINC001132356139 776729961 /nfs/dbraw/zinc/72/99/61/776729961.db2.gz QMWLYAFQHJDIML-JTQLQIEISA-N 0 3 265.317 -1.238 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132358616 776729976 /nfs/dbraw/zinc/72/99/76/776729976.db2.gz GJTSJFZQWHXDGQ-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132359523 776730741 /nfs/dbraw/zinc/73/07/41/776730741.db2.gz REQTWRYPKPFUND-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC1=O)N1CCOCC1 ZINC001132359930 776730917 /nfs/dbraw/zinc/73/09/17/776730917.db2.gz URUUNSVTDSTPBV-SNVBAGLBSA-N 0 3 298.343 -2.313 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132360381 776730937 /nfs/dbraw/zinc/73/09/37/776730937.db2.gz YHRVAXOEBZURLO-ZETCQYMHSA-N 0 3 285.304 -2.716 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CN(C)C(=O)N1)C(=O)N(C)C ZINC001132385954 776731054 /nfs/dbraw/zinc/73/10/54/776731054.db2.gz CICWXXDGVIWQMQ-RKDXNWHRSA-N 0 3 285.348 -1.808 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132359573 776731715 /nfs/dbraw/zinc/73/17/15/776731715.db2.gz RVAUHJQYLWCREE-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132359569 776731828 /nfs/dbraw/zinc/73/18/28/776731828.db2.gz RVAUHJQYLWCREE-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132386262 776732567 /nfs/dbraw/zinc/73/25/67/776732567.db2.gz FUFDSJASTWTYMP-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)NC1=O ZINC001132387013 776732704 /nfs/dbraw/zinc/73/27/04/776732704.db2.gz OEKDLCSSHWLUCJ-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132386834 776732720 /nfs/dbraw/zinc/73/27/20/776732720.db2.gz MMNBNSLWKKDURL-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2CN(C)C(=O)N2)C1=O ZINC001132387379 776732770 /nfs/dbraw/zinc/73/27/70/776732770.db2.gz RDLBDLODFPHAQM-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)NC1=O ZINC001132387014 776732794 /nfs/dbraw/zinc/73/27/94/776732794.db2.gz OEKDLCSSHWLUCJ-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132386122 776732874 /nfs/dbraw/zinc/73/28/74/776732874.db2.gz DXRSVRCRSTVUHH-QMMMGPOBSA-N 0 3 271.321 -2.196 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@@H]2CCNC2=O)NC1=O ZINC001132386777 776732907 /nfs/dbraw/zinc/73/29/07/776732907.db2.gz KTJKQCFNFDHJLI-HTQZYQBOSA-N 0 3 269.305 -2.396 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132386129 776732922 /nfs/dbraw/zinc/73/29/22/776732922.db2.gz FAXUJPIWBTYRSS-JTQLQIEISA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001132387031 776733071 /nfs/dbraw/zinc/73/30/71/776733071.db2.gz OSCIAVNSUOWEAT-BQBZGAKWSA-N 0 3 257.294 -2.410 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)NC1=O ZINC001132387016 776733313 /nfs/dbraw/zinc/73/33/13/776733313.db2.gz OEKDLCSSHWLUCJ-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132387270 776733465 /nfs/dbraw/zinc/73/34/65/776733465.db2.gz QPBFVJDZBXOWFA-YUMQZZPRSA-N 0 3 271.321 -2.150 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132386463 776733487 /nfs/dbraw/zinc/73/34/87/776733487.db2.gz HMZJRTXCKGEZDS-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)NC1=O ZINC001132386471 776733502 /nfs/dbraw/zinc/73/35/02/776733502.db2.gz HQRBOUAINJFJQG-LURJTMIESA-N 0 3 286.292 -3.089 20 0 CAADHN CC[C@@H](NCCNC(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001132370446 776734175 /nfs/dbraw/zinc/73/41/75/776734175.db2.gz VFDGQYWRQDIMIC-SSDOTTSWSA-N 0 3 269.305 -1.291 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001132387763 776734241 /nfs/dbraw/zinc/73/42/41/776734241.db2.gz ZMMZSXQINJJDQM-JGVFFNPUSA-N 0 3 271.321 -2.020 20 0 CAADHN CCCC[C@H](NCCNC(=O)[C@@H]1CCNC1=O)C(N)=O ZINC001132373969 776734258 /nfs/dbraw/zinc/73/42/58/776734258.db2.gz AXKKYYOVNFZECT-ZJUUUORDSA-N 0 3 284.360 -1.128 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCNC1=O ZINC001132376854 776734343 /nfs/dbraw/zinc/73/43/43/776734343.db2.gz RWFKLIYOKKBFNF-SFYZADRCSA-N 0 3 256.306 -2.037 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCNC1=O ZINC001132376637 776734362 /nfs/dbraw/zinc/73/43/62/776734362.db2.gz PZKDZJZKPFUMIK-QWRGUYRKSA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCNC1=O)C(=O)NC(N)=O ZINC001132374597 776734400 /nfs/dbraw/zinc/73/44/00/776734400.db2.gz DSJYYBDGWZSHOR-RQJHMYQMSA-N 0 3 285.304 -2.588 20 0 CAADHN CC(C)(C)CNC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132374031 776734441 /nfs/dbraw/zinc/73/44/41/776734441.db2.gz BNBTXHDZNNFHMS-JTQLQIEISA-N 0 3 298.387 -1.009 20 0 CAADHN C[C@H](NCCNC(=O)c1c[nH]c(=O)n1C)C(=O)N(C)C ZINC001132369875 776734572 /nfs/dbraw/zinc/73/45/72/776734572.db2.gz CCWLSQLUXBZHQG-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCNC1=O ZINC001132376855 776734662 /nfs/dbraw/zinc/73/46/62/776734662.db2.gz RWFKLIYOKKBFNF-YUMQZZPRSA-N 0 3 256.306 -2.037 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCNC1=O ZINC001132373866 776735057 /nfs/dbraw/zinc/73/50/57/776735057.db2.gz AKBDHEQJIDBFKU-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCNC1=O ZINC001132376848 776735095 /nfs/dbraw/zinc/73/50/95/776735095.db2.gz RWFKLIYOKKBFNF-HTQZYQBOSA-N 0 3 256.306 -2.037 20 0 CAADHN NC(=O)CNCCNC(=O)CCCn1ccccc1=O ZINC001132369970 776735130 /nfs/dbraw/zinc/73/51/30/776735130.db2.gz HKOZMFYEVBCFGC-UHFFFAOYSA-N 0 3 280.328 -1.180 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132374321 776735188 /nfs/dbraw/zinc/73/51/88/776735188.db2.gz CGZBEUDDLSJAMV-RKDXNWHRSA-N 0 3 268.317 -1.941 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1c[nH]c(=O)n1C ZINC001132369822 776735205 /nfs/dbraw/zinc/73/52/05/776735205.db2.gz AEHVISKVIQVVET-SSDOTTSWSA-N 0 3 269.305 -1.420 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCNC1=O ZINC001132376358 776735226 /nfs/dbraw/zinc/73/52/26/776735226.db2.gz OHBWBOZWLVOYHW-JGVFFNPUSA-N 0 3 299.331 -2.328 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCNC1=O)C(=O)N(C)C ZINC001132377611 776735782 /nfs/dbraw/zinc/73/57/82/776735782.db2.gz YBFRKXCVSJDGMD-BDAKNGLRSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCNC1=O)C(=O)N(C)C ZINC001132377612 776735789 /nfs/dbraw/zinc/73/57/89/776735789.db2.gz YBFRKXCVSJDGMD-DTWKUNHWSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001132377750 776736017 /nfs/dbraw/zinc/73/60/17/776736017.db2.gz ZSMDTGAGRIAHBS-GXSJLCMTSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001132377756 776736064 /nfs/dbraw/zinc/73/60/64/776736064.db2.gz ZSMDTGAGRIAHBS-ONGXEEELSA-N 0 3 296.371 -1.257 20 0 CAADHN CCN(C(=O)CNCCNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001132377406 776736599 /nfs/dbraw/zinc/73/65/99/776736599.db2.gz WPJKCUJBGDWABF-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)N2CCC2)NC1=O ZINC001132382624 776736831 /nfs/dbraw/zinc/73/68/31/776736831.db2.gz ORQSOGDDXJOBHN-VIFPVBQESA-N 0 3 283.332 -2.052 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1c[nH]c(=O)n1C ZINC001132379337 776737417 /nfs/dbraw/zinc/73/74/17/776737417.db2.gz DCMSLTQIUUSRAM-UHFFFAOYSA-N 0 3 283.332 -1.077 20 0 CAADHN CC[C@@H](F)C(=O)NCCNCCNS(C)(=O)=O ZINC001132444042 776737715 /nfs/dbraw/zinc/73/77/15/776737715.db2.gz VGTJVXWUNNNPBS-MRVPVSSYSA-N 0 3 269.342 -1.011 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132402758 776737925 /nfs/dbraw/zinc/73/79/25/776737925.db2.gz XVUXYKIYWHBUMR-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1C[C@H]1C)C(=O)NC(N)=O ZINC001132423506 776738119 /nfs/dbraw/zinc/73/81/19/776738119.db2.gz CQQMGIKLLMVSKC-BWZBUEFSSA-N 0 3 256.306 -1.068 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1C[C@@H]1C)C(=O)NC(N)=O ZINC001132498695 776738316 /nfs/dbraw/zinc/73/83/16/776738316.db2.gz CQQMGIKLLMVSKC-FXQIFTODSA-N 0 3 256.306 -1.068 20 0 CAADHN Cc1nn(C)cc1CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132383057 776738331 /nfs/dbraw/zinc/73/83/31/776738331.db2.gz WKCODXKNKGFZJJ-LLVKDONJSA-N 0 3 294.359 -1.042 20 0 CAADHN CC[C@@H](F)C(=O)NCCNCC(=O)NC(=O)NC ZINC001132433718 776738681 /nfs/dbraw/zinc/73/86/81/776738681.db2.gz STLYIGGOSHQCQF-SSDOTTSWSA-N 0 3 262.285 -1.104 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CN(C)C(=O)N1)C(=O)NC1CC1 ZINC001132402515 776738696 /nfs/dbraw/zinc/73/86/96/776738696.db2.gz RNOMDHCQOFCGMV-WCBMZHEXSA-N 0 3 297.359 -1.617 20 0 CAADHN CCCC[C@H](NCCNC(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001132392058 776738956 /nfs/dbraw/zinc/73/89/56/776738956.db2.gz UNNPQGOCWMPHDE-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132383131 776738976 /nfs/dbraw/zinc/73/89/76/776738976.db2.gz YNSXBUVANOZAAM-SECBINFHSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCCF ZINC001132459877 776739018 /nfs/dbraw/zinc/73/90/18/776739018.db2.gz CWVCWWPYCLBQIL-UHFFFAOYSA-N 0 3 262.285 -1.103 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C[C@H](C)N(C)C[C@H]1C ZINC001158628799 776739030 /nfs/dbraw/zinc/73/90/30/776739030.db2.gz ACMQAGSSVDKABL-VLEAKVRGSA-N 0 3 286.376 -1.638 20 0 CAADHN CC[C@H](F)C(=O)NCCNCCNS(C)(=O)=O ZINC001132444044 776739039 /nfs/dbraw/zinc/73/90/39/776739039.db2.gz VGTJVXWUNNNPBS-QMMMGPOBSA-N 0 3 269.342 -1.011 20 0 CAADHN CCCC[C@@H](NCCNC(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001132392054 776739089 /nfs/dbraw/zinc/73/90/89/776739089.db2.gz UNNPQGOCWMPHDE-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001132519539 776740115 /nfs/dbraw/zinc/74/01/15/776740115.db2.gz AMINOEKNQDUGAN-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519837 776739944 /nfs/dbraw/zinc/73/99/44/776739944.db2.gz OFKPXMPKSHDIGJ-VIFPVBQESA-N 0 3 270.333 -1.599 20 0 CAADHN Cn1nnc(C(=O)NCCNCC(=O)NC2CC2)n1 ZINC001132523532 776739962 /nfs/dbraw/zinc/73/99/62/776739962.db2.gz MTAORKZVWVUTOX-UHFFFAOYSA-N 0 3 267.293 -2.192 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)NC1CC1 ZINC001132519755 776740147 /nfs/dbraw/zinc/74/01/47/776740147.db2.gz KUVAYGQEROCHJX-KOLCDFICSA-N 0 3 296.371 -1.020 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523542 776740158 /nfs/dbraw/zinc/74/01/58/776740158.db2.gz NHDLPZXWVXZWTN-UHFFFAOYSA-N 0 3 269.309 -1.944 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001132519635 776740168 /nfs/dbraw/zinc/74/01/68/776740168.db2.gz FZUYEQRCHPPQBC-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001132519552 776740563 /nfs/dbraw/zinc/74/05/63/776740563.db2.gz BPHQRNNGSTWTMB-YUMQZZPRSA-N 0 3 256.306 -1.813 20 0 CAADHN Cn1nnc(C(=O)NCCNCC(=O)N2CCCC2)n1 ZINC001132523470 776740386 /nfs/dbraw/zinc/74/03/86/776740386.db2.gz KSYGQNYWGSIOPP-UHFFFAOYSA-N 0 3 281.320 -1.848 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519896 776740508 /nfs/dbraw/zinc/74/05/08/776740508.db2.gz QCKMNQOISNHJIR-JTQLQIEISA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523446 776740701 /nfs/dbraw/zinc/74/07/01/776740701.db2.gz JVTOTQDOMPQMRM-MRVPVSSYSA-N 0 3 283.336 -1.556 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)NC(N)=O ZINC001132519801 776740575 /nfs/dbraw/zinc/74/05/75/776740575.db2.gz MPENHPMQKISEOK-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001132519546 776740586 /nfs/dbraw/zinc/74/05/86/776740586.db2.gz BDYGUBPPHMRZJV-JTQLQIEISA-N 0 3 282.344 -1.408 20 0 CAADHN Cn1cncc1CNCCNC(=O)c1nnn(C)n1 ZINC001132523802 776741280 /nfs/dbraw/zinc/74/12/80/776741280.db2.gz ZSBYYYQKINXNNP-UHFFFAOYSA-N 0 3 264.293 -1.537 20 0 CAADHN Cn1nnc(C(=O)NCCN[C@@H]2CCCN(C)C2=O)n1 ZINC001132523669 776741514 /nfs/dbraw/zinc/74/15/14/776741514.db2.gz SVTPZKHPBAZFBX-MRVPVSSYSA-N 0 3 281.320 -1.850 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523662 776741540 /nfs/dbraw/zinc/74/15/40/776741540.db2.gz SQJXJURCEHFCNO-UHFFFAOYSA-N 0 3 284.280 -3.015 20 0 CAADHN C[C@H](NCCNC(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001132527147 776741772 /nfs/dbraw/zinc/74/17/72/776741772.db2.gz NFQIFOPCAYKWJU-ZETCQYMHSA-N 0 3 269.309 -1.994 20 0 CAADHN Cn1nnc(C(=O)NCCN[C@@H]2CCN(C)C2=O)n1 ZINC001132526788 776741785 /nfs/dbraw/zinc/74/17/85/776741785.db2.gz CXGILNAYMUYVMI-SSDOTTSWSA-N 0 3 267.293 -2.240 20 0 CAADHN Cn1nnc(C(=O)NCCNCC(=O)N2CCCCC2)n1 ZINC001132523790 776741863 /nfs/dbraw/zinc/74/18/63/776741863.db2.gz ZGQVUYUZRDTGQX-UHFFFAOYSA-N 0 3 295.347 -1.458 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132526801 776741881 /nfs/dbraw/zinc/74/18/81/776741881.db2.gz DIUFYIAAJRSDRA-UHFFFAOYSA-N 0 3 283.336 -1.698 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)c2nnn(C)n2)C1=O ZINC001132527168 776741913 /nfs/dbraw/zinc/74/19/13/776741913.db2.gz OKGHOFIXLFNGNL-QMMMGPOBSA-N 0 3 281.320 -1.850 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001132528912 776742551 /nfs/dbraw/zinc/74/25/51/776742551.db2.gz WQQRPFOHDDHGME-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523318 776742806 /nfs/dbraw/zinc/74/28/06/776742806.db2.gz CTGONSFRAQAQPB-UHFFFAOYSA-N 0 3 269.309 -1.946 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)N2C)C1=O ZINC001132531975 776742862 /nfs/dbraw/zinc/74/28/62/776742862.db2.gz XGKDGOFUUIAGME-ZJUUUORDSA-N 0 3 282.344 -1.456 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)c2nnn(C)n2)C1=O ZINC001132527299 776742902 /nfs/dbraw/zinc/74/29/02/776742902.db2.gz USHJMCTZSYHVTG-VIFPVBQESA-N 0 3 295.347 -1.461 20 0 CAADHN CCN(CC)C(=O)[C@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132531540 776742957 /nfs/dbraw/zinc/74/29/57/776742957.db2.gz HLHGXHHYGMSAAG-VIFPVBQESA-N 0 3 297.363 -1.214 20 0 CAADHN C[C@@H](NCCNC(=O)c1nnn(C)n1)C(=O)NC(C)(C)C ZINC001132528321 776743016 /nfs/dbraw/zinc/74/30/16/776743016.db2.gz IXSPDTHMCWIRAC-MRVPVSSYSA-N 0 3 297.363 -1.167 20 0 CAADHN CCC[C@@H](C)NC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132528046 776743169 /nfs/dbraw/zinc/74/31/69/776743169.db2.gz AVKSDPKHAKSOLD-SECBINFHSA-N 0 3 297.363 -1.166 20 0 CAADHN Cn1nnc(C(=O)NCCN[C@H]2CCCNC2=O)n1 ZINC001132523296 776743295 /nfs/dbraw/zinc/74/32/95/776743295.db2.gz BGSJTPUSNIOKBJ-ZETCQYMHSA-N 0 3 267.293 -2.192 20 0 CAADHN CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132531622 776743492 /nfs/dbraw/zinc/74/34/92/776743492.db2.gz KEUZGXRVUQFFOD-BDAKNGLRSA-N 0 3 297.363 -1.167 20 0 CAADHN CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132531624 776743513 /nfs/dbraw/zinc/74/35/13/776743513.db2.gz KEUZGXRVUQFFOD-IUCAKERBSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@@H](NCCNC(=O)c1nnn(C)n1)C(=O)NC1CC1 ZINC001132528891 776743546 /nfs/dbraw/zinc/74/35/46/776743546.db2.gz VVYGAOXOMYCNGJ-SSDOTTSWSA-N 0 3 281.320 -1.803 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523344 776744357 /nfs/dbraw/zinc/74/43/57/776744357.db2.gz FEOBHSQTEKWFOR-UHFFFAOYSA-N 0 3 299.335 -2.318 20 0 CAADHN Cc1cnn(C)c1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001132559738 776744374 /nfs/dbraw/zinc/74/43/74/776744374.db2.gz VIVPRKSEURQDIZ-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605567 776744416 /nfs/dbraw/zinc/74/44/16/776744416.db2.gz WLCWALVBCNCIHZ-PJXYFTJBSA-N 0 3 299.371 -1.263 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605591 776744587 /nfs/dbraw/zinc/74/45/87/776744587.db2.gz XTMSWDVDJMGYNC-MBTKJCJQSA-N 0 3 284.316 -1.960 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132612594 776744662 /nfs/dbraw/zinc/74/46/62/776744662.db2.gz KTOMMHGCLYWWJK-IMSYWVGJSA-N 0 3 255.318 -1.281 20 0 CAADHN Cn1nnc(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001132523335 776744768 /nfs/dbraw/zinc/74/47/68/776744768.db2.gz DKSQEJKQHUBVMV-LURJTMIESA-N 0 3 253.266 -2.582 20 0 CAADHN Cn1nnc(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001132523336 776744795 /nfs/dbraw/zinc/74/47/95/776744795.db2.gz DKSQEJKQHUBVMV-ZCFIWIBFSA-N 0 3 253.266 -2.582 20 0 CAADHN Cc1cnn(C)c1C(=O)NCCN[C@@H](C)C(N)=O ZINC001132548440 776744848 /nfs/dbraw/zinc/74/48/48/776744848.db2.gz MBRJMJDWEXJBJL-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605297 776744982 /nfs/dbraw/zinc/74/49/82/776744982.db2.gz JHPSMFSCNHFUAK-RGOKHQFPSA-N 0 3 253.302 -1.527 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605393 776745069 /nfs/dbraw/zinc/74/50/69/776745069.db2.gz NULXYENOQQMYIH-JZYVYDRUSA-N 0 3 255.318 -1.279 20 0 CAADHN Cn1nnc(C(=O)NCCNCc2ccnn2C)n1 ZINC001132523357 776745088 /nfs/dbraw/zinc/74/50/88/776745088.db2.gz FRHRRMHVJUJSFH-UHFFFAOYSA-N 0 3 264.293 -1.537 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCN(C)C1=O)C(N)=O ZINC001132625033 776745682 /nfs/dbraw/zinc/74/56/82/776745682.db2.gz WAJBMXMNPVWEOE-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCN(C)C1=O)C(N)=O ZINC001132608413 776745714 /nfs/dbraw/zinc/74/57/14/776745714.db2.gz DMXONNRVNLTPEL-HTQZYQBOSA-N 0 3 256.306 -1.956 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCN(C)C1=O)C(=O)NC(N)=O ZINC001132625334 776745769 /nfs/dbraw/zinc/74/57/69/776745769.db2.gz ZILWTENVKFNUQP-YUMQZZPRSA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCN(C)C1=O)C(=O)NC1CC1 ZINC001132625341 776745876 /nfs/dbraw/zinc/74/58/76/776745876.db2.gz ZNLNGXUOZBQHBP-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@H]2CCCNC2=O)C1=O ZINC001132608619 776745888 /nfs/dbraw/zinc/74/58/88/776745888.db2.gz HDXBJUNCFHZBDH-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCN(C)C1=O)C(=O)NC(N)=O ZINC001132625331 776745943 /nfs/dbraw/zinc/74/59/43/776745943.db2.gz ZILWTENVKFNUQP-HTQZYQBOSA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCN(C)C1=O)C(=O)N(C)C ZINC001132624965 776746006 /nfs/dbraw/zinc/74/60/06/776746006.db2.gz URGMXVGWXHROTE-UWVGGRQHSA-N 0 3 284.360 -1.353 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001132616063 776746135 /nfs/dbraw/zinc/74/61/35/776746135.db2.gz GUNGUVYRACTORA-RGOKHQFPSA-N 0 3 255.318 -1.152 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132616475 776746375 /nfs/dbraw/zinc/74/63/75/776746375.db2.gz WSPDCXSRZSVHAI-IMSYWVGJSA-N 0 3 298.343 -1.571 20 0 CAADHN CN1CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1=O ZINC001132608570 776746397 /nfs/dbraw/zinc/74/63/97/776746397.db2.gz GJPUUDOXDLVZLN-SSDOTTSWSA-N 0 3 285.304 -2.635 20 0 CAADHN CN1CC[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)C1=O ZINC001132608617 776746451 /nfs/dbraw/zinc/74/64/51/776746451.db2.gz HDXBJUNCFHZBDH-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001132616021 776746483 /nfs/dbraw/zinc/74/64/83/776746483.db2.gz FHCYAAUCOGSBRL-ZRUFSTJUSA-N 0 3 267.329 -1.185 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132608329 776746763 /nfs/dbraw/zinc/74/67/63/776746763.db2.gz CISONTLIEVSDPU-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001132616062 776746803 /nfs/dbraw/zinc/74/68/03/776746803.db2.gz GUNGUVYRACTORA-QCLAVDOMSA-N 0 3 255.318 -1.152 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCN(C)C2=O)C1=O ZINC001132624307 776746842 /nfs/dbraw/zinc/74/68/42/776746842.db2.gz MQGPMQYQYXRFDJ-UWVGGRQHSA-N 0 3 282.344 -1.599 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1=O ZINC001132609128 776747488 /nfs/dbraw/zinc/74/74/88/776747488.db2.gz QOBSTMNJFBALNA-BDAKNGLRSA-N 0 3 268.317 -1.941 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132609362 776747518 /nfs/dbraw/zinc/74/75/18/776747518.db2.gz XDVNEBNYLFMXDB-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN CN1CC[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1=O ZINC001132609130 776747684 /nfs/dbraw/zinc/74/76/84/776747684.db2.gz QOBSTMNJFBALNA-IUCAKERBSA-N 0 3 268.317 -1.941 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001132682243 776747726 /nfs/dbraw/zinc/74/77/26/776747726.db2.gz MDRGNPDVRCTCSL-BRPSZJMVSA-N 0 3 268.317 -1.067 20 0 CAADHN CN1CC[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1=O ZINC001132609162 776748133 /nfs/dbraw/zinc/74/81/33/776748133.db2.gz RKYDWXQZMREROY-DTWKUNHWSA-N 0 3 296.327 -2.024 20 0 CAADHN CN1CC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1=O ZINC001132609129 776748149 /nfs/dbraw/zinc/74/81/49/776748149.db2.gz QOBSTMNJFBALNA-DTWKUNHWSA-N 0 3 268.317 -1.941 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132609218 776748245 /nfs/dbraw/zinc/74/82/45/776748245.db2.gz UDVQGKUMRHMSRX-SECBINFHSA-N 0 3 270.333 -1.741 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1csc(=O)[nH]1 ZINC001132647948 776748396 /nfs/dbraw/zinc/74/83/96/776748396.db2.gz ZIJYXLJVMPDIBM-ZCFIWIBFSA-N 0 3 298.324 -1.027 20 0 CAADHN CN1CC[C@@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)C1=O ZINC001132609296 776748563 /nfs/dbraw/zinc/74/85/63/776748563.db2.gz VQDNQOSRXAULPB-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001132764856 776750676 /nfs/dbraw/zinc/75/06/76/776750676.db2.gz ZZZHEFBRHVXBRO-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(C)N1C(=O)CC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001132797790 776750727 /nfs/dbraw/zinc/75/07/27/776750727.db2.gz CBAGVKWYAYEGPR-QWRGUYRKSA-N 0 3 296.371 -1.020 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001132762479 776750972 /nfs/dbraw/zinc/75/09/72/776750972.db2.gz LVDFFIZEERUFSO-SSDOTTSWSA-N 0 3 285.304 -2.492 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC(=O)N1C ZINC001132763808 776750988 /nfs/dbraw/zinc/75/09/88/776750988.db2.gz AIWOTKNLFZTQNV-RKDXNWHRSA-N 0 3 270.333 -1.553 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001132761754 776751062 /nfs/dbraw/zinc/75/10/62/776751062.db2.gz AMINOEKNQDUGAN-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC(=O)N1C)C(=O)NC(N)=O ZINC001132767635 776751163 /nfs/dbraw/zinc/75/11/63/776751163.db2.gz MPENHPMQKISEOK-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1cnoc1 ZINC001132759201 776751379 /nfs/dbraw/zinc/75/13/79/776751379.db2.gz NWBLIPUQZJLRIN-QMMMGPOBSA-N 0 3 297.315 -1.233 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC(=O)N1C)C(=O)NC1CC1 ZINC001132767582 776751625 /nfs/dbraw/zinc/75/16/25/776751625.db2.gz KUVAYGQEROCHJX-MWLCHTKSSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1C ZINC001132762760 776751663 /nfs/dbraw/zinc/75/16/63/776751663.db2.gz QCKMNQOISNHJIR-SNVBAGLBSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(C)N1C(=O)CC[C@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001132799179 776751733 /nfs/dbraw/zinc/75/17/33/776751733.db2.gz ZVPNXLFOWQOSEA-UWVGGRQHSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001132763837 776751763 /nfs/dbraw/zinc/75/17/63/776751763.db2.gz BPHQRNNGSTWTMB-JGVFFNPUSA-N 0 3 256.306 -1.813 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@]1(F)CCOC1 ZINC001132851869 776752033 /nfs/dbraw/zinc/75/20/33/776752033.db2.gz BGALXVULNGUFLJ-SNVBAGLBSA-N 0 3 276.268 -1.984 20 0 CAADHN CC(C)N1CCO[C@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001132848417 776752191 /nfs/dbraw/zinc/75/21/91/776752191.db2.gz HSAFMBQSUZOVFF-QWRGUYRKSA-N 0 3 286.376 -1.325 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(F)CCOC1)C(=O)NC(N)=O ZINC001132867599 776752580 /nfs/dbraw/zinc/75/25/80/776752580.db2.gz JLFJVHMQAOKWNI-CPCISQLKSA-N 0 3 290.295 -1.596 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@]1(F)CCOC1 ZINC001132852191 776752650 /nfs/dbraw/zinc/75/26/50/776752650.db2.gz JHCYUAXNDKLSID-PRHODGIISA-N 0 3 287.291 -1.374 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@]1(F)CCOC1 ZINC001132852073 776752786 /nfs/dbraw/zinc/75/27/86/776752786.db2.gz GYALBXCUHCFBQC-KCJUWKMLSA-N 0 3 261.297 -1.045 20 0 CAADHN CC(C)N1C(=O)CC[C@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001132799183 776752996 /nfs/dbraw/zinc/75/29/96/776752996.db2.gz ZVPNXLFOWQOSEA-ZJUUUORDSA-N 0 3 284.360 -1.035 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@]1(F)CCOC1 ZINC001132867881 776753173 /nfs/dbraw/zinc/75/31/73/776753173.db2.gz QVAJYEUGZYNEMP-KCJUWKMLSA-N 0 3 259.281 -1.291 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@]1(F)CCOC1 ZINC001132867880 776753182 /nfs/dbraw/zinc/75/31/82/776753182.db2.gz QVAJYEUGZYNEMP-GZMMTYOYSA-N 0 3 259.281 -1.291 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@]1(F)CCOC1 ZINC001132867734 776753325 /nfs/dbraw/zinc/75/33/25/776753325.db2.gz NEFTUOVFDLVIHQ-NSHDSACASA-N 0 3 261.297 -1.043 20 0 CAADHN Cn1cc(OCC(=O)NCCNCC(=O)NC2CC2)cn1 ZINC001132961040 776753864 /nfs/dbraw/zinc/75/38/64/776753864.db2.gz FZSBGLLNQYFKEP-UHFFFAOYSA-N 0 3 295.343 -1.217 20 0 CAADHN C[C@@H](NCCNC(=O)COc1cnn(C)c1)C(=O)N(C)C ZINC001132964673 776753894 /nfs/dbraw/zinc/75/38/94/776753894.db2.gz ZZMPGLCIYWHTSZ-SNVBAGLBSA-N 0 3 297.359 -1.019 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccoc1CC(N)=O ZINC001132950126 776753926 /nfs/dbraw/zinc/75/39/26/776753926.db2.gz LEQFFFORVGTFPL-UHFFFAOYSA-N 0 3 296.327 -1.285 20 0 CAADHN CC[C@H](NCCNC(=O)COc1cnn(C)c1)C(N)=O ZINC001132964199 776753943 /nfs/dbraw/zinc/75/39/43/776753943.db2.gz FMKZBTAKXYGNQR-JTQLQIEISA-N 0 3 283.332 -1.231 20 0 CAADHN NC(=O)Cc1occc1C(=O)NCCN[C@H]1CCNC1=O ZINC001132950827 776753967 /nfs/dbraw/zinc/75/39/67/776753967.db2.gz VBAKRJAIERATHL-VIFPVBQESA-N 0 3 294.311 -1.485 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccoc1CC(N)=O)C(N)=O ZINC001132949546 776753980 /nfs/dbraw/zinc/75/39/80/776753980.db2.gz CHZRPJFPDHMSTN-SSDOTTSWSA-N 0 3 282.300 -1.499 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)n1C ZINC001132895606 776754182 /nfs/dbraw/zinc/75/41/82/776754182.db2.gz IZWFZQIGKVKWRF-ZETCQYMHSA-N 0 3 296.331 -1.369 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001132923355 776754350 /nfs/dbraw/zinc/75/43/50/776754350.db2.gz IJXDLFOSWPYGKW-UHFFFAOYSA-N 0 3 278.272 -1.532 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccnc2c1nnn2C)C(N)=O ZINC001132954113 776754588 /nfs/dbraw/zinc/75/45/88/776754588.db2.gz LKRBJCVNTSDAJT-SSDOTTSWSA-N 0 3 291.315 -1.444 20 0 CAADHN Cn1ncc2c1C[C@H](C(=O)NCCNCC(N)=O)CC2 ZINC001132895573 776754794 /nfs/dbraw/zinc/75/47/94/776754794.db2.gz HWYUKDHALKPMCB-SECBINFHSA-N 0 3 279.344 -1.284 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)n1C ZINC001132889558 776754808 /nfs/dbraw/zinc/75/48/08/776754808.db2.gz KHMPVKVVSOUUKI-SECBINFHSA-N 0 3 293.327 -1.147 20 0 CAADHN Cn1nnc2c1nccc2C(=O)NCCNCC(N)=O ZINC001132958544 776754855 /nfs/dbraw/zinc/75/48/55/776754855.db2.gz VFTIPMDMSPTBMO-UHFFFAOYSA-N 0 3 277.288 -1.832 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)COc1cnn(C)c1 ZINC001132964587 776754883 /nfs/dbraw/zinc/75/48/83/776754883.db2.gz VXLVXDUKSOECNQ-VIFPVBQESA-N 0 3 283.332 -1.361 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@]1(F)CCOC1 ZINC001132868054 776754938 /nfs/dbraw/zinc/75/49/38/776754938.db2.gz VZLGVUOKMMBCTC-NSHDSACASA-N 0 3 290.295 -1.724 20 0 CAADHN Cn1nnc2c1C[C@H](C(=O)NCCNCC(N)=O)CC2 ZINC001132919768 776754988 /nfs/dbraw/zinc/75/49/88/776754988.db2.gz DZRUCNNKDYFUHB-MRVPVSSYSA-N 0 3 280.332 -1.889 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnc(C)n1C ZINC001132889533 776755024 /nfs/dbraw/zinc/75/50/24/776755024.db2.gz IRDQFBFJTDTCHO-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCc2nnn(C)c2C1)C(N)=O ZINC001132920778 776755082 /nfs/dbraw/zinc/75/50/82/776755082.db2.gz NXNFYWPGOLGYLE-DTWKUNHWSA-N 0 3 294.359 -1.500 20 0 CAADHN NC(=O)Cc1occc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001132950820 776755113 /nfs/dbraw/zinc/75/51/13/776755113.db2.gz VBAKRJAIERATHL-SECBINFHSA-N 0 3 294.311 -1.485 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCc2nn[nH]c21)C(N)=O ZINC001132998471 776755469 /nfs/dbraw/zinc/75/54/69/776755469.db2.gz UOVDBNMJQFZDPV-HTQZYQBOSA-N 0 3 280.332 -1.196 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133009492 776755826 /nfs/dbraw/zinc/75/58/26/776755826.db2.gz HIUOTJPKQURGTP-UHFFFAOYSA-N 0 3 281.316 -1.385 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133016279 776755972 /nfs/dbraw/zinc/75/59/72/776755972.db2.gz RSETXRSPRFTBIO-UHFFFAOYSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCc2nn[nH]c21)C(N)=O ZINC001132998478 776756126 /nfs/dbraw/zinc/75/61/26/776756126.db2.gz UOVDBNMJQFZDPV-JGVFFNPUSA-N 0 3 280.332 -1.196 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001132997847 776756237 /nfs/dbraw/zinc/75/62/37/776756237.db2.gz LVGKYIHFTBJCSJ-MRVPVSSYSA-N 0 3 280.332 -1.324 20 0 CAADHN C[C@@H](NCCNC(=O)c1c[nH]c(=O)cn1)C(=O)N(C)C ZINC001133009596 776756263 /nfs/dbraw/zinc/75/62/63/776756263.db2.gz LIGYIEMPFNYIPR-MRVPVSSYSA-N 0 3 281.316 -1.434 20 0 CAADHN Cc1ncc2n1C[C@H](C(=O)NCCNCC(N)=O)CC2 ZINC001133004848 776756309 /nfs/dbraw/zinc/75/63/09/776756309.db2.gz MERNEPHQWOTYQZ-SNVBAGLBSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCc2nn[nH]c21)C(N)=O ZINC001132998479 776756451 /nfs/dbraw/zinc/75/64/51/776756451.db2.gz UOVDBNMJQFZDPV-SFYZADRCSA-N 0 3 280.332 -1.196 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001133001186 776756554 /nfs/dbraw/zinc/75/65/54/776756554.db2.gz VAGQUOJLQCCGRC-ZETCQYMHSA-N 0 3 266.305 -1.584 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001133016383 776756625 /nfs/dbraw/zinc/75/66/25/776756625.db2.gz WMYMFVOFQNMLPK-SSDOTTSWSA-N 0 3 265.273 -2.022 20 0 CAADHN CC[C@@H](NCCNC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001133013773 776757280 /nfs/dbraw/zinc/75/72/80/776757280.db2.gz UMMPXQZRQLHMOQ-SSDOTTSWSA-N 0 3 267.289 -1.647 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133013780 776757294 /nfs/dbraw/zinc/75/72/94/776757294.db2.gz UYOBGOZSIUZXHP-UHFFFAOYSA-N 0 3 281.316 -1.432 20 0 CAADHN CN(C(=O)CNCCNC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001133013488 776757758 /nfs/dbraw/zinc/75/77/58/776757758.db2.gz LHLDAJASQKWTOT-UHFFFAOYSA-N 0 3 293.327 -1.290 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111616 776759016 /nfs/dbraw/zinc/75/90/16/776759016.db2.gz IWZBIRDSOBKHMM-QMMMGPOBSA-N 0 3 271.321 -2.100 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CNC(=O)N1)N1CCOCC1 ZINC001133111835 776759096 /nfs/dbraw/zinc/75/90/96/776759096.db2.gz PWTOHUOWEWNVBA-VIFPVBQESA-N 0 3 299.331 -2.768 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111588 776759106 /nfs/dbraw/zinc/75/91/06/776759106.db2.gz HOYUTCAWQZMTCA-SSDOTTSWSA-N 0 3 257.294 -2.538 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CNC(=O)N1)N1CCOCC1 ZINC001133111834 776759125 /nfs/dbraw/zinc/75/91/25/776759125.db2.gz PWTOHUOWEWNVBA-SECBINFHSA-N 0 3 299.331 -2.768 20 0 CAADHN Cc1ncccc1C(=O)NCCNCC(=O)NC(N)=O ZINC001133106509 776759129 /nfs/dbraw/zinc/75/91/29/776759129.db2.gz TVEHYHKYPOSYOK-UHFFFAOYSA-N 0 3 279.300 -1.096 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CNC(=O)N1 ZINC001133114929 776760208 /nfs/dbraw/zinc/76/02/08/776760208.db2.gz BFZFJDKSILUDQS-HTQZYQBOSA-N 0 3 269.305 -2.348 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133114897 776760366 /nfs/dbraw/zinc/76/03/66/776760366.db2.gz AYSRVDIUTUYXOV-SNVBAGLBSA-N 0 3 297.359 -1.758 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CNC(=O)N1)NC1CCCC1 ZINC001133112301 776760384 /nfs/dbraw/zinc/76/03/84/776760384.db2.gz ZLKKBPIRERTHDP-JTQLQIEISA-N 0 3 297.359 -1.568 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111924 776760504 /nfs/dbraw/zinc/76/05/04/776760504.db2.gz SUVBUSDVHSKZSN-ZCFIWIBFSA-N 0 3 286.292 -3.171 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CNC(=O)N1 ZINC001133114931 776760615 /nfs/dbraw/zinc/76/06/15/776760615.db2.gz BFZFJDKSILUDQS-JGVFFNPUSA-N 0 3 269.305 -2.348 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133112173 776760911 /nfs/dbraw/zinc/76/09/11/776760911.db2.gz XDWUTVHNKFKLEA-YFKPBYRVSA-N 0 3 272.265 -3.432 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1CNC(=O)N1 ZINC001133115375 776761717 /nfs/dbraw/zinc/76/17/17/776761717.db2.gz LVWBLGIXLUKLJE-NKWVEPMBSA-N 0 3 283.288 -2.821 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133115559 776761871 /nfs/dbraw/zinc/76/18/71/776761871.db2.gz POFDDRHKKWMMST-DTWKUNHWSA-N 0 3 283.332 -2.006 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133115304 776761884 /nfs/dbraw/zinc/76/18/84/776761884.db2.gz JVCSYEPNUKWIGP-SECBINFHSA-N 0 3 285.348 -1.854 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001133115558 776761973 /nfs/dbraw/zinc/76/19/73/776761973.db2.gz POFDDRHKKWMMST-BDAKNGLRSA-N 0 3 283.332 -2.006 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001133115262 776762036 /nfs/dbraw/zinc/76/20/36/776762036.db2.gz JCPAOGXPTTXXGN-IUCAKERBSA-N 0 3 283.332 -2.006 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001133118619 776762895 /nfs/dbraw/zinc/76/28/95/776762895.db2.gz PPJDWTWWJMZNIS-YUMQZZPRSA-N 0 3 269.305 -2.396 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CNC(=O)N1)C(=O)NC1CC1 ZINC001133121884 776763048 /nfs/dbraw/zinc/76/30/48/776763048.db2.gz NOIVKERQKTTXLD-VXNVDRBHSA-N 0 3 283.332 -1.959 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NC1CC1 ZINC001133121882 776763192 /nfs/dbraw/zinc/76/31/92/776763192.db2.gz NOIVKERQKTTXLD-CBAPKCEASA-N 0 3 283.332 -1.959 20 0 CAADHN CCCC[C@H](NCCNC(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001133118251 776763353 /nfs/dbraw/zinc/76/33/53/776763353.db2.gz HMIHSMRXYZCLLV-IUCAKERBSA-N 0 3 285.348 -1.582 20 0 CAADHN CS(=O)(=O)CCCNCCNC(=O)C(N)=O ZINC001133198450 776772424 /nfs/dbraw/zinc/77/24/24/776772424.db2.gz YOFHXSJGMWPMFA-UHFFFAOYSA-N 0 3 251.308 -2.388 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001133122287 776763913 /nfs/dbraw/zinc/76/39/13/776763913.db2.gz RYAPFYYACLNVRZ-VIFPVBQESA-N 0 3 283.332 -2.006 20 0 CAADHN CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122591 776763983 /nfs/dbraw/zinc/76/39/83/776763983.db2.gz WHUYBKIZMDQMJV-ZJUUUORDSA-N 0 3 299.375 -1.322 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121932 776764027 /nfs/dbraw/zinc/76/40/27/776764027.db2.gz PABUSFXCVXLDHL-IUCAKERBSA-N 0 3 285.348 -1.712 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CNC(=O)N1)N1CCC1 ZINC001133128579 776764129 /nfs/dbraw/zinc/76/41/29/776764129.db2.gz HYOBCKGGUQCLSH-MRVPVSSYSA-N 0 3 269.305 -2.394 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122413 776764145 /nfs/dbraw/zinc/76/41/45/776764145.db2.gz UVYZPABWQWLJSF-NXEZZACHSA-N 0 3 299.375 -1.466 20 0 CAADHN CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122610 776764210 /nfs/dbraw/zinc/76/42/10/776764210.db2.gz WMLSHJVWMZNUAR-UWVGGRQHSA-N 0 3 299.375 -1.371 20 0 CAADHN CCC(CC)NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122543 776764433 /nfs/dbraw/zinc/76/44/33/776764433.db2.gz VRRLZHVUHLBLTB-JTQLQIEISA-N 0 3 299.375 -1.322 20 0 CAADHN CCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122589 776764548 /nfs/dbraw/zinc/76/45/48/776764548.db2.gz WHUYBKIZMDQMJV-UWVGGRQHSA-N 0 3 299.375 -1.322 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121930 776764568 /nfs/dbraw/zinc/76/45/68/776764568.db2.gz PABUSFXCVXLDHL-BDAKNGLRSA-N 0 3 285.348 -1.712 20 0 CAADHN CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122770 776764586 /nfs/dbraw/zinc/76/45/86/776764586.db2.gz YDLYBARNASVTBN-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133128367 776764636 /nfs/dbraw/zinc/76/46/36/776764636.db2.gz CGCHAMNKUJZFAI-QMMMGPOBSA-N 0 3 271.321 -2.148 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133128988 776764657 /nfs/dbraw/zinc/76/46/57/776764657.db2.gz SKQZHYMGYMGROU-MRVPVSSYSA-N 0 3 285.348 -1.712 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133122343 776764677 /nfs/dbraw/zinc/76/46/77/776764677.db2.gz SSEBZCDALLUPGK-VHSXEESVSA-N 0 3 297.359 -1.617 20 0 CAADHN CCN(CC)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122773 776764744 /nfs/dbraw/zinc/76/47/44/776764744.db2.gz YDLYBARNASVTBN-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCCS(N)(=O)=O ZINC001133152355 776766278 /nfs/dbraw/zinc/76/62/78/776766278.db2.gz YKHTVGAVMWRLSJ-QMMMGPOBSA-N 0 3 294.377 -2.105 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133128366 776764801 /nfs/dbraw/zinc/76/48/01/776764801.db2.gz CGCHAMNKUJZFAI-MRVPVSSYSA-N 0 3 271.321 -2.148 20 0 CAADHN NC(=O)C1(C(=O)NCCN[C@H]2CCNC2=O)CC1 ZINC001133187408 776765477 /nfs/dbraw/zinc/76/54/77/776765477.db2.gz CLRGUECFJATNAS-ZETCQYMHSA-N 0 3 254.290 -2.154 20 0 CAADHN NC(=O)C1(C(=O)NCCN[C@H]2CCCNC2=O)CC1 ZINC001133188062 776765660 /nfs/dbraw/zinc/76/56/60/776765660.db2.gz NZVCYXRWGLUECH-QMMMGPOBSA-N 0 3 268.317 -1.764 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCCS(N)(=O)=O ZINC001133152146 776765872 /nfs/dbraw/zinc/76/58/72/776765872.db2.gz SCUFOKNMQCUUGW-UHFFFAOYSA-N 0 3 294.377 -2.151 20 0 CAADHN CC[C@H](NCCNC(=O)CCCS(N)(=O)=O)C(N)=O ZINC001133151770 776765994 /nfs/dbraw/zinc/76/59/94/776765994.db2.gz JIGXXEVNTYNZPQ-QMMMGPOBSA-N 0 3 294.377 -1.975 20 0 CAADHN NC(=O)C1(C(=O)NCCN[C@@H]2CCNC2=O)CC1 ZINC001133187407 776766101 /nfs/dbraw/zinc/76/61/01/776766101.db2.gz CLRGUECFJATNAS-SSDOTTSWSA-N 0 3 254.290 -2.154 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCCS(N)(=O)=O ZINC001133152354 776766186 /nfs/dbraw/zinc/76/61/86/776766186.db2.gz YKHTVGAVMWRLSJ-MRVPVSSYSA-N 0 3 294.377 -2.105 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001133129256 776766318 /nfs/dbraw/zinc/76/63/18/776766318.db2.gz XEMFNLURXHKMBK-VIFPVBQESA-N 0 3 266.305 -1.693 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001133129255 776766424 /nfs/dbraw/zinc/76/64/24/776766424.db2.gz XEMFNLURXHKMBK-SECBINFHSA-N 0 3 266.305 -1.693 20 0 CAADHN NC(=O)C(=O)NCCNC[C@@H](O)COc1ccccc1F ZINC001133200920 776767088 /nfs/dbraw/zinc/76/70/88/776767088.db2.gz RRZQTTDEZICJCI-SECBINFHSA-N 0 3 299.302 -1.244 20 0 CAADHN Cn1cc(CNCCNC(=O)C2(C(N)=O)CC2)cn1 ZINC001133184817 776767337 /nfs/dbraw/zinc/76/73/37/776767337.db2.gz IEQBEGFTKDQPQQ-UHFFFAOYSA-N 0 3 265.317 -1.109 20 0 CAADHN NC(=O)C(=O)NCCNC[C@H](O)COc1ccccc1F ZINC001133200921 776767424 /nfs/dbraw/zinc/76/74/24/776767424.db2.gz RRZQTTDEZICJCI-VIFPVBQESA-N 0 3 299.302 -1.244 20 0 CAADHN NC(=O)C1(C(=O)NCCNCC(=O)NC2CC2)CC1 ZINC001133187848 776767516 /nfs/dbraw/zinc/76/75/16/776767516.db2.gz JEVDXEWITZBNEV-UHFFFAOYSA-N 0 3 268.317 -1.764 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133185165 776767769 /nfs/dbraw/zinc/76/77/69/776767769.db2.gz XCEZRTZDULTZDJ-UHFFFAOYSA-N 0 3 296.371 -1.174 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001133189311 776768449 /nfs/dbraw/zinc/76/84/49/776768449.db2.gz QJIBVBMXQRYOKM-SNVBAGLBSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](NCCNC(=O)C1(C(N)=O)CC1)C(=O)NC1CC1 ZINC001133189401 776768477 /nfs/dbraw/zinc/76/84/77/776768477.db2.gz UULIJZZIXLUVGS-QMMMGPOBSA-N 0 3 282.344 -1.375 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001133188983 776768656 /nfs/dbraw/zinc/76/86/56/776768656.db2.gz HGGZEFJICTWKHM-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)C1(C(=O)NCCNCC(=O)N2CCOCC2)CC1 ZINC001133188295 776768900 /nfs/dbraw/zinc/76/89/00/776768900.db2.gz UULAXJZIQDHZHU-UHFFFAOYSA-N 0 3 298.343 -2.184 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133188443 776769033 /nfs/dbraw/zinc/76/90/33/776769033.db2.gz ZDPSAEDVRRPTIV-UHFFFAOYSA-N 0 3 299.331 -2.197 20 0 CAADHN CS(=O)(=O)CC1(CNCCNC(=O)C(N)=O)CC1 ZINC001133192294 776769107 /nfs/dbraw/zinc/76/91/07/776769107.db2.gz BPRRZJFWNZVKJN-UHFFFAOYSA-N 0 3 277.346 -1.998 20 0 CAADHN NC(=O)C(=O)NCCNC[C@@H](O)COc1ccccc1 ZINC001133197220 776770891 /nfs/dbraw/zinc/77/08/91/776770891.db2.gz XDUSLENUAYMDIT-SNVBAGLBSA-N 0 3 281.312 -1.383 20 0 CAADHN COCCS(=O)(=O)CCCNCCNC(=O)C(N)=O ZINC001133198096 776771079 /nfs/dbraw/zinc/77/10/79/776771079.db2.gz KBSPODMCCRFJMV-UHFFFAOYSA-N 0 3 295.361 -2.371 20 0 CAADHN Cn1nnc2cc(CNCCNC(=O)C(N)=O)ccc21 ZINC001133206121 776772464 /nfs/dbraw/zinc/77/24/64/776772464.db2.gz IDPNSDPNRSXFIQ-UHFFFAOYSA-N 0 3 276.300 -1.341 20 0 CAADHN C[C@H]1C[C@H]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001133342729 776777863 /nfs/dbraw/zinc/77/78/63/776777863.db2.gz KVFKNFDSUKLKKL-YUMQZZPRSA-N 0 3 256.306 -1.067 20 0 CAADHN NC(=O)C(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001133206389 776772888 /nfs/dbraw/zinc/77/28/88/776772888.db2.gz OFDKEJBZDNYRBK-UHFFFAOYSA-N 0 3 264.285 -1.523 20 0 CAADHN COC[C@@H](OC)C(=O)NCCNCC(=O)NC(N)=O ZINC001133509287 776779634 /nfs/dbraw/zinc/77/96/34/776779634.db2.gz NIPBYKBEBRHTKF-SSDOTTSWSA-N 0 3 276.293 -2.452 20 0 CAADHN CO[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C(C)C ZINC001133338276 776775248 /nfs/dbraw/zinc/77/52/48/776775248.db2.gz IGOGOQHVLNBADP-DTWKUNHWSA-N 0 3 288.348 -1.053 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)c(=O)[nH]1)C(N)=O ZINC001133335448 776775316 /nfs/dbraw/zinc/77/53/16/776775316.db2.gz VCZJJDWIOOBHDQ-LURJTMIESA-N 0 3 255.278 -1.681 20 0 CAADHN C[C@H]1C[C@@H]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001133342727 776775618 /nfs/dbraw/zinc/77/56/18/776775618.db2.gz KVFKNFDSUKLKKL-JGVFFNPUSA-N 0 3 256.306 -1.067 20 0 CAADHN C[C@@H]1C[C@@H]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001133342726 776775907 /nfs/dbraw/zinc/77/59/07/776775907.db2.gz KVFKNFDSUKLKKL-HTQZYQBOSA-N 0 3 256.306 -1.067 20 0 CAADHN C[C@@H]1CC[C@@H](CC(=O)NCCNCC(=O)NC(N)=O)O1 ZINC001133322153 776776086 /nfs/dbraw/zinc/77/60/86/776776086.db2.gz HDXVYFATFTZMFM-BDAKNGLRSA-N 0 3 286.332 -1.155 20 0 CAADHN CO[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C(C)C ZINC001133341481 776776176 /nfs/dbraw/zinc/77/61/76/776776176.db2.gz AUXJHLGRTQVMCC-SECBINFHSA-N 0 3 274.321 -1.442 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCCNC2=O)[nH]c1=O ZINC001133335346 776776487 /nfs/dbraw/zinc/77/64/87/776776487.db2.gz QLFYPEGJRVLLRT-QMMMGPOBSA-N 0 3 281.316 -1.276 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133335201 776776594 /nfs/dbraw/zinc/77/65/94/776776594.db2.gz LGMYZQSRIHHCIK-UHFFFAOYSA-N 0 3 269.305 -1.419 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1n[nH]cc1F ZINC001133470436 776777304 /nfs/dbraw/zinc/77/73/04/776777304.db2.gz HZYLSTBFQCJLCN-UHFFFAOYSA-N 0 3 257.269 -1.044 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1n[nH]cc1F ZINC001133467249 776777357 /nfs/dbraw/zinc/77/73/57/776777357.db2.gz ANLZQGGZTMISIK-ZETCQYMHSA-N 0 3 283.263 -1.327 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@]2(C)CCC(=O)N2)C1=O ZINC001133473304 776777652 /nfs/dbraw/zinc/77/76/52/776777652.db2.gz HDJIYRUUPYLENR-YGRLFVJLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133468213 776777912 /nfs/dbraw/zinc/77/79/12/776777912.db2.gz XAXMXZHGAJIHGT-ZDUSSCGKSA-N 0 3 284.360 -1.113 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133467653 776777967 /nfs/dbraw/zinc/77/79/67/776777967.db2.gz LRLMMHAYNGVDOJ-LBPRGKRZSA-N 0 3 299.331 -2.184 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)c(=O)[nH]1)C(=O)NC(N)=O ZINC001133350080 776778358 /nfs/dbraw/zinc/77/83/58/776778358.db2.gz BAMLALSWQPAJKD-LURJTMIESA-N 0 3 298.303 -1.972 20 0 CAADHN CO[C@H](C(=O)NCCNCCNS(C)(=O)=O)C(C)C ZINC001133347310 776778418 /nfs/dbraw/zinc/77/84/18/776778418.db2.gz BIEWJUDZQNDITD-JTQLQIEISA-N 0 3 295.405 -1.088 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@]1(C)CCC(=O)N1)C(N)=O ZINC001133473016 776778489 /nfs/dbraw/zinc/77/84/89/776778489.db2.gz CUPZMYRCQKKMAZ-PELKAZGASA-N 0 3 270.333 -1.375 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@]1(C)CCC(=O)N1)C1CC1 ZINC001133468230 776778527 /nfs/dbraw/zinc/77/85/27/776778527.db2.gz XQXWTOTYFPEQLS-AWEZNQCLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CCC(=O)N1)C(N)=O ZINC001133473950 776779125 /nfs/dbraw/zinc/77/91/25/776779125.db2.gz SSFVGJXVVBXBBT-CPCISQLKSA-N 0 3 256.306 -1.765 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H](COC)OC ZINC001133512968 776778877 /nfs/dbraw/zinc/77/88/77/776778877.db2.gz KPLWBNDKNMHXGD-SNVBAGLBSA-N 0 3 275.349 -1.168 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001133509782 776778919 /nfs/dbraw/zinc/77/89/19/776778919.db2.gz QIRLEFGCHSZVGZ-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001133509781 776779364 /nfs/dbraw/zinc/77/93/64/776779364.db2.gz QIRLEFGCHSZVGZ-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H](COC)OC ZINC001133512967 776779434 /nfs/dbraw/zinc/77/94/34/776779434.db2.gz KPLWBNDKNMHXGD-JTQLQIEISA-N 0 3 275.349 -1.168 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCCNC2=O)CCC(=O)N1 ZINC001133473470 776779494 /nfs/dbraw/zinc/77/94/94/776779494.db2.gz JOPBYJCKIFMNCQ-ZANVPECISA-N 0 3 282.344 -1.361 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001133510294 776779583 /nfs/dbraw/zinc/77/95/83/776779583.db2.gz XBMYJUZDJQTJRL-ZJUUUORDSA-N 0 3 275.349 -1.170 20 0 CAADHN COC[C@H](OC)C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133512954 776779714 /nfs/dbraw/zinc/77/97/14/776779714.db2.gz KHCBNHYANRJZLO-NSHDSACASA-N 0 3 287.360 -1.026 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001133510291 776779760 /nfs/dbraw/zinc/77/97/60/776779760.db2.gz XBMYJUZDJQTJRL-NXEZZACHSA-N 0 3 275.349 -1.170 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001133510292 776779795 /nfs/dbraw/zinc/77/97/95/776779795.db2.gz XBMYJUZDJQTJRL-UWVGGRQHSA-N 0 3 275.349 -1.170 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CCC(=O)N1)C(=O)N(C)C ZINC001133473347 776779838 /nfs/dbraw/zinc/77/98/38/776779838.db2.gz IVEDVNXTGAFPEH-RNCFNFMXSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@]2(C)CCC(=O)N2)C1=O ZINC001133473523 776779998 /nfs/dbraw/zinc/77/99/98/776779998.db2.gz LXFRYKMMFYCAKP-YGRLFVJLSA-N 0 3 296.371 -1.018 20 0 CAADHN Cn1nnc(CNCCNC(=O)c2[nH]ncc2F)n1 ZINC001133478648 776780009 /nfs/dbraw/zinc/78/00/09/776780009.db2.gz KFEITGBELBFYDU-UHFFFAOYSA-N 0 3 268.256 -1.408 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC(N)=O)[C@@H]1CCCO1 ZINC001133524157 776780032 /nfs/dbraw/zinc/78/00/32/776780032.db2.gz IENMDZRXFJUFRN-IUCAKERBSA-N 0 3 286.332 -1.298 20 0 CAADHN COC[C@@H](OC)C(=O)NCCNCC(=O)N1CCCC1 ZINC001133512247 776780052 /nfs/dbraw/zinc/78/00/52/776780052.db2.gz AHKLBTCEAYBDQQ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CCC(=O)N1)C(=O)NC(N)=O ZINC001133479350 776780076 /nfs/dbraw/zinc/78/00/76/776780076.db2.gz UBRYMBPRCZRLCP-MADCSZMMSA-N 0 3 299.331 -2.056 20 0 CAADHN C[C@@H]1COCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133496459 776780120 /nfs/dbraw/zinc/78/01/20/776780120.db2.gz KMLSRIFZFOKUEQ-BDAKNGLRSA-N 0 3 286.332 -1.440 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H](COC)OC ZINC001133519797 776781195 /nfs/dbraw/zinc/78/11/95/776781195.db2.gz ZKSXQHKTOYLFBN-DTWKUNHWSA-N 0 3 261.322 -1.512 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H](COC)OC)C1=O ZINC001133518801 776781106 /nfs/dbraw/zinc/78/11/06/776781106.db2.gz LTRFERAZDKKYTA-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001133517162 776781342 /nfs/dbraw/zinc/78/13/42/776781342.db2.gz KVGUILYINVNVTR-IUCAKERBSA-N 0 3 287.316 -1.841 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001133517302 776781395 /nfs/dbraw/zinc/78/13/95/776781395.db2.gz MGWZFYJFSNURKP-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN Cn1c(C(=O)NCCNCC(=O)NC(N)=O)cccc1=O ZINC001133621480 776781986 /nfs/dbraw/zinc/78/19/86/776781986.db2.gz DJGGVGQZLLAYSK-UHFFFAOYSA-N 0 3 295.299 -2.100 20 0 CAADHN Cn1c(C(=O)NCCNCC(N)=O)cccc1=O ZINC001133621509 776782451 /nfs/dbraw/zinc/78/24/51/776782451.db2.gz FOAUHHBOVHPFES-UHFFFAOYSA-N 0 3 252.274 -1.810 20 0 CAADHN C[C@H](NCCNC(=O)c1cccc(=O)n1C)C(N)=O ZINC001133642859 776782998 /nfs/dbraw/zinc/78/29/98/776782998.db2.gz ALZAWIJJMXQTJB-QMMMGPOBSA-N 0 3 266.301 -1.422 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cccc(=O)n1C)C(N)=O ZINC001133643418 776783120 /nfs/dbraw/zinc/78/31/20/776783120.db2.gz OCFKHJHAJWTHHY-SECBINFHSA-N 0 3 280.328 -1.031 20 0 CAADHN Cn1c(=O)cccc1C(=O)NCCN[C@H]1CCCNC1=O ZINC001133621613 776783388 /nfs/dbraw/zinc/78/33/88/776783388.db2.gz JIWJSOMLOANMAV-JTQLQIEISA-N 0 3 292.339 -1.017 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCCC(=O)N1)C(N)=O ZINC001133680807 776783401 /nfs/dbraw/zinc/78/34/01/776783401.db2.gz DHEVZCAGWZWXPO-BDAKNGLRSA-N 0 3 270.333 -1.375 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133681523 776783437 /nfs/dbraw/zinc/78/34/37/776783437.db2.gz RFDHUDAAWWRHCN-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN Cc1cc(=O)[nH]cc1C(=O)NCCNCC(=O)NC(N)=O ZINC001133657036 776783761 /nfs/dbraw/zinc/78/37/61/776783761.db2.gz OLMQPWBHBMFPCK-UHFFFAOYSA-N 0 3 295.299 -1.390 20 0 CAADHN Cn1c(=O)cccc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001133621667 776783852 /nfs/dbraw/zinc/78/38/52/776783852.db2.gz MBLGAAOHNOMYNU-SECBINFHSA-N 0 3 278.312 -1.407 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCCC(=O)N1)C(N)=O ZINC001133680809 776784051 /nfs/dbraw/zinc/78/40/51/776784051.db2.gz DHEVZCAGWZWXPO-DTWKUNHWSA-N 0 3 270.333 -1.375 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cccc(=O)n1C ZINC001133621719 776784146 /nfs/dbraw/zinc/78/41/46/776784146.db2.gz OUJRIRAESHCQQI-UHFFFAOYSA-N 0 3 266.301 -1.549 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc(C(N)=O)co1 ZINC001133709493 776784625 /nfs/dbraw/zinc/78/46/25/776784625.db2.gz RFVQYSDMHXKYHM-UHFFFAOYSA-N 0 3 254.246 -1.817 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@]1(C)CCNC1=O)C(=O)NC1CC1 ZINC001133753734 776784659 /nfs/dbraw/zinc/78/46/59/776784659.db2.gz LSWHVZKZVCNVNQ-OTYXRUKQSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(C(N)=O)co1 ZINC001133709712 776784776 /nfs/dbraw/zinc/78/47/76/776784776.db2.gz WKYZWYCYCQCGLQ-UHFFFAOYSA-N 0 3 268.273 -1.556 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@]1(C)CCNC1=O ZINC001133753479 776784811 /nfs/dbraw/zinc/78/48/11/776784811.db2.gz KIFLXOMNHRVFSI-GFCCVEGCSA-N 0 3 299.331 -2.326 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133681632 776784937 /nfs/dbraw/zinc/78/49/37/776784937.db2.gz UFXRDXGWUBAHHP-QMMMGPOBSA-N 0 3 256.306 -1.764 20 0 CAADHN C[C@H](NCCNC(=O)[C@@]1(C)CCNC1=O)C(=O)NC1CC1 ZINC001133753735 776785001 /nfs/dbraw/zinc/78/50/01/776785001.db2.gz LSWHVZKZVCNVNQ-XPTSAGLGSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133684393 776785063 /nfs/dbraw/zinc/78/50/63/776785063.db2.gz HZYNHYMTZGDDQD-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@]1(C)CCNC1=O ZINC001133753433 776785159 /nfs/dbraw/zinc/78/51/59/776785159.db2.gz JTFOZDYKGXKCAV-CYBMUJFWSA-N 0 3 284.360 -1.257 20 0 CAADHN Cn1cnc2c1nccc2C(=O)NCCNCC(N)=O ZINC001133688267 776785172 /nfs/dbraw/zinc/78/51/72/776785172.db2.gz WBWQZTWPFPFLHL-UHFFFAOYSA-N 0 3 276.300 -1.227 20 0 CAADHN CCc1c(C(=O)NCCNCC(N)=O)nnn1CC ZINC001133747043 776785197 /nfs/dbraw/zinc/78/51/97/776785197.db2.gz WOFFNLDHPHKCAG-UHFFFAOYSA-N 0 3 268.321 -1.335 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)N2CCC2)CCNC1=O ZINC001133753034 776785226 /nfs/dbraw/zinc/78/52/26/776785226.db2.gz HUJIYCSBYOLSAO-CYBMUJFWSA-N 0 3 282.344 -1.549 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@]1(C)CCNC1=O)C(N)=O ZINC001133753404 776785236 /nfs/dbraw/zinc/78/52/36/776785236.db2.gz JKCVVDLFBKFGQN-HQJQHLMTSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CCNC1=O)C(N)=O ZINC001133753405 776785412 /nfs/dbraw/zinc/78/54/12/776785412.db2.gz JKCVVDLFBKFGQN-RDDDGLTNSA-N 0 3 256.306 -1.908 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@]1(C)CCNC1=O ZINC001133752499 776785474 /nfs/dbraw/zinc/78/54/74/776785474.db2.gz DFDACQAANYUSOE-GFCCVEGCSA-N 0 3 270.333 -1.646 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCCCC(=O)N2)C1=O ZINC001133694416 776785492 /nfs/dbraw/zinc/78/54/92/776785492.db2.gz MXCBLRYEQDJBQB-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CCCCC(=O)N1 ZINC001133681560 776785509 /nfs/dbraw/zinc/78/55/09/776785509.db2.gz SEHOEDADAPEZGQ-ZJUUUORDSA-N 0 3 282.344 -1.361 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CCNC1=O)C(N)=O ZINC001133753406 776785532 /nfs/dbraw/zinc/78/55/32/776785532.db2.gz JKCVVDLFBKFGQN-WRWORJQWSA-N 0 3 256.306 -1.908 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133681631 776785542 /nfs/dbraw/zinc/78/55/42/776785542.db2.gz UFXRDXGWUBAHHP-MRVPVSSYSA-N 0 3 256.306 -1.764 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@]1(C)CCNC1=O ZINC001133753715 776785562 /nfs/dbraw/zinc/78/55/62/776785562.db2.gz LBBCFFWRPCHXCM-LLVKDONJSA-N 0 3 256.306 -2.036 20 0 CAADHN NC(=O)c1coc(C(=O)NCCN[C@H]2CCCNC2=O)c1 ZINC001133709314 776785605 /nfs/dbraw/zinc/78/56/05/776785605.db2.gz NAEKOGPQGXWUGW-VIFPVBQESA-N 0 3 294.311 -1.024 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)N2CCCC2)CCNC1=O ZINC001133754631 776786184 /nfs/dbraw/zinc/78/61/84/776786184.db2.gz VUJAQZAFXMAROY-AWEZNQCLSA-N 0 3 296.371 -1.159 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCNC2=O)CCNC1=O ZINC001133754758 776786346 /nfs/dbraw/zinc/78/63/46/776786346.db2.gz XBCJTPBZCTXWPR-QPUJVOFHSA-N 0 3 268.317 -1.893 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)NC(N)=O)CCNC1=O ZINC001133754780 776786372 /nfs/dbraw/zinc/78/63/72/776786372.db2.gz XGOZCKDVFJUYIQ-NSHDSACASA-N 0 3 285.304 -2.587 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cn1 ZINC001133770899 776786420 /nfs/dbraw/zinc/78/64/20/776786420.db2.gz ISXQAXYPUIMKHF-WDEREUQCSA-N 0 3 295.343 -1.341 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCCNC2=O)CCNC1=O ZINC001133763075 776786687 /nfs/dbraw/zinc/78/66/87/776786687.db2.gz KDLSJKYSHVMMRO-TVQRCGJNSA-N 0 3 282.344 -1.503 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@@]2(C)CCNC2=O)C1=O ZINC001133762917 776786698 /nfs/dbraw/zinc/78/66/98/776786698.db2.gz ISUJKSDAILAYMX-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@]1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CCNC1=O ZINC001133763451 776786859 /nfs/dbraw/zinc/78/68/59/776786859.db2.gz UFAFMWSCXMJORE-OQPBUACISA-N 0 3 296.327 -1.976 20 0 CAADHN C[C@]1(C(=O)NCCN[C@@H]2CCNC2=O)CCNC1=O ZINC001133754752 776786944 /nfs/dbraw/zinc/78/69/44/776786944.db2.gz XBCJTPBZCTXWPR-PELKAZGASA-N 0 3 268.317 -1.893 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@]1(C)CCNC1=O)C(=O)NC(N)=O ZINC001133754672 776787136 /nfs/dbraw/zinc/78/71/36/776787136.db2.gz WFMVARNYBYQWOF-KRTXAFLBSA-N 0 3 299.331 -2.198 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@]1(C)CCNC1=O ZINC001133766480 776787719 /nfs/dbraw/zinc/78/77/19/776787719.db2.gz FWHPZSARHSRDHC-UFBFGSQYSA-N 0 3 270.333 -1.647 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1=O ZINC001133781250 776787771 /nfs/dbraw/zinc/78/77/71/776787771.db2.gz FBRKLMICGTWBED-KXUCPTDWSA-N 0 3 298.343 -2.044 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1=O ZINC001133781251 776788032 /nfs/dbraw/zinc/78/80/32/776788032.db2.gz FBRKLMICGTWBED-LPEHRKFASA-N 0 3 298.343 -2.044 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(N)=O ZINC001133773822 776788183 /nfs/dbraw/zinc/78/81/83/776788183.db2.gz MSFXSMDMAAAVMK-GJMOJQLCSA-N 0 3 272.305 -2.401 20 0 CAADHN CC[C@H](NCCNC(=O)[C@]1(C)CCNC1=O)C(N)=O ZINC001133766371 776788209 /nfs/dbraw/zinc/78/82/09/776788209.db2.gz CDOUHMWMUMFAPB-QPUJVOFHSA-N 0 3 270.333 -1.518 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133774155 776788238 /nfs/dbraw/zinc/78/82/38/776788238.db2.gz ROXWKMQJNMESKV-NKWVEPMBSA-N 0 3 258.278 -2.790 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@]1(C)CCNC1=O ZINC001133766535 776788300 /nfs/dbraw/zinc/78/83/00/776788300.db2.gz HNTUYXLHXHTKKB-CQSZACIVSA-N 0 3 298.387 -1.009 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@]1(C)CCNC1=O ZINC001133766479 776788441 /nfs/dbraw/zinc/78/84/41/776788441.db2.gz FWHPZSARHSRDHC-QPUJVOFHSA-N 0 3 270.333 -1.647 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@]2(C)CCNC2=O)C1=O ZINC001133766561 776788536 /nfs/dbraw/zinc/78/85/36/776788536.db2.gz HZSNCEUPMCVNEB-NOZJJQNGSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNCc2nnn(C)n2)C1 ZINC001133842609 776789929 /nfs/dbraw/zinc/78/99/29/776789929.db2.gz XMHSBVCPUINSGU-SNVBAGLBSA-N 0 3 281.364 -1.242 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc(N2CCCC2)ncn1 ZINC001133839465 776790211 /nfs/dbraw/zinc/79/02/11/776790211.db2.gz GMRDNHCYMZYOEJ-UHFFFAOYSA-N 0 3 292.343 -1.119 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001133908394 776792139 /nfs/dbraw/zinc/79/21/39/776792139.db2.gz PLGQIZWRALDCLJ-UTLUCORTSA-N 0 3 282.344 -1.566 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1Cc2ccncc2C1 ZINC001133877075 776792341 /nfs/dbraw/zinc/79/23/41/776792341.db2.gz QDSGWDUJYZIBNZ-SNVBAGLBSA-N 0 3 262.313 -1.013 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001133908556 776792591 /nfs/dbraw/zinc/79/25/91/776792591.db2.gz WTXBBAOBOFSRSI-CSMHCCOUSA-N 0 3 282.300 -2.381 20 0 CAADHN C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1nc(=O)n(C)[n-]1 ZINC001133866518 776793058 /nfs/dbraw/zinc/79/30/58/776793058.db2.gz MJHORKQAHLGGEK-NXEZZACHSA-N 0 3 296.375 -1.488 20 0 CAADHN C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1nc(=O)n(C)[n-]1 ZINC001133866518 776793063 /nfs/dbraw/zinc/79/30/63/776793063.db2.gz MJHORKQAHLGGEK-NXEZZACHSA-N 0 3 296.375 -1.488 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133906211 776793135 /nfs/dbraw/zinc/79/31/35/776793135.db2.gz QJAPWKORYNJVPW-DTWKUNHWSA-N 0 3 270.333 -1.838 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914324 776793840 /nfs/dbraw/zinc/79/38/40/776793840.db2.gz HKTWPOGCWCFBEE-BBBLOLIVSA-N 0 3 284.360 -1.272 20 0 CAADHN CCCC[C@@H](NCCNC(=O)[C@H]1C[C@H]1C(N)=O)C(N)=O ZINC001133912285 776794123 /nfs/dbraw/zinc/79/41/23/776794123.db2.gz ZFQOWEJGSLWQAP-KXUCPTDWSA-N 0 3 284.360 -1.142 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1cnn(C)n1)C(=O)N(C)C ZINC001133918441 776794192 /nfs/dbraw/zinc/79/41/92/776794192.db2.gz ULRGBSSKHNGOGJ-SNVBAGLBSA-N 0 3 296.375 -1.070 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1C[C@H]1C(N)=O)C(N)=O ZINC001133912158 776794271 /nfs/dbraw/zinc/79/42/71/776794271.db2.gz ULCSIPZOHWIQNL-CSMHCCOUSA-N 0 3 256.306 -1.923 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CCc1cnn(C)n1 ZINC001133914431 776794291 /nfs/dbraw/zinc/79/42/91/776794291.db2.gz JELNMBFUJWBXTG-UHFFFAOYSA-N 0 3 296.375 -1.068 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCc1cnn(C)n1 ZINC001133918114 776794484 /nfs/dbraw/zinc/79/44/84/776794484.db2.gz PUKHMPWVEKQFKS-SECBINFHSA-N 0 3 282.348 -1.412 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)NC(N)=O ZINC001133914478 776794524 /nfs/dbraw/zinc/79/45/24/776794524.db2.gz JTRHWRBHSVTSNZ-XVMARJQXSA-N 0 3 285.304 -2.603 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911869 776794625 /nfs/dbraw/zinc/79/46/25/776794625.db2.gz NVUSKXDZOBXRNB-RITPCOANSA-N 0 3 271.277 -2.992 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)N(C)C ZINC001133911884 776794664 /nfs/dbraw/zinc/79/46/64/776794664.db2.gz OOPNFUQBNUXWEN-YIZRAAEISA-N 0 3 270.333 -1.710 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1cncs1 ZINC001133902645 776794715 /nfs/dbraw/zinc/79/47/15/776794715.db2.gz IXGSGPSXCOAFKV-UHFFFAOYSA-N 0 3 299.356 -1.024 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(N)=O ZINC001133921103 776794727 /nfs/dbraw/zinc/79/47/27/776794727.db2.gz BEMUBZSMGVPIOT-JGVFFNPUSA-N 0 3 256.306 -2.098 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001133912192 776794764 /nfs/dbraw/zinc/79/47/64/776794764.db2.gz WCAJXPMNODLRLT-HRDYMLBCSA-N 0 3 268.317 -1.956 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CCc1cnn(C)n1 ZINC001133914979 776794767 /nfs/dbraw/zinc/79/47/67/776794767.db2.gz WJMNKJUVBOGEGY-UHFFFAOYSA-N 0 3 296.375 -1.020 20 0 CAADHN Cn1ncc(CCC(=O)NCCN[C@@H]2CCN(C)C2=O)n1 ZINC001133950745 776795394 /nfs/dbraw/zinc/79/53/94/776795394.db2.gz HJJCHUAMKWZYQB-LLVKDONJSA-N 0 3 294.359 -1.316 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133950726 776795500 /nfs/dbraw/zinc/79/55/00/776795500.db2.gz GSMAOKAQWSIAQI-UHFFFAOYSA-N 0 3 281.316 -1.479 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCNCC(=O)NC2CC2)[nH]1 ZINC001133950577 776795631 /nfs/dbraw/zinc/79/56/31/776795631.db2.gz DVNDSXDSKUMBPH-UHFFFAOYSA-N 0 3 293.327 -1.288 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133931997 776795726 /nfs/dbraw/zinc/79/57/26/776795726.db2.gz PATPJNJBZVQWBJ-ZJUUUORDSA-N 0 3 284.360 -1.270 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(N)=O ZINC001133939742 776795837 /nfs/dbraw/zinc/79/58/37/776795837.db2.gz MSZGVWLELKJDMQ-UTLUCORTSA-N 0 3 284.360 -1.142 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001133931694 776795905 /nfs/dbraw/zinc/79/59/05/776795905.db2.gz KMYJPSZIMJCIQQ-KXUCPTDWSA-N 0 3 282.344 -1.518 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001133922526 776795948 /nfs/dbraw/zinc/79/59/48/776795948.db2.gz VRYCYZNLSBYGQF-AXFHLTTASA-N 0 3 296.371 -1.305 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C(N)=O ZINC001133925010 776796054 /nfs/dbraw/zinc/79/60/54/776796054.db2.gz DUGQCUOZIYODOR-IVZWLZJFSA-N 0 3 284.360 -1.320 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133950517 776796074 /nfs/dbraw/zinc/79/60/74/776796074.db2.gz AWYFLOYIILWNKD-UHFFFAOYSA-N 0 3 295.343 -1.042 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCCNCCF ZINC001134353688 776811625 /nfs/dbraw/zinc/81/16/25/776811625.db2.gz WKWRDHJAAPPRPF-SSDOTTSWSA-N 0 3 255.315 -1.401 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(N)=O ZINC001133935517 776796222 /nfs/dbraw/zinc/79/62/22/776796222.db2.gz DLJXYUGVOPREBV-YIZRAAEISA-N 0 3 270.333 -1.532 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001133925886 776796234 /nfs/dbraw/zinc/79/62/34/776796234.db2.gz VMFAFALUOAWQOP-AXFHLTTASA-N 0 3 296.371 -1.353 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C(=O)N(C)C ZINC001133925657 776796246 /nfs/dbraw/zinc/79/62/46/776796246.db2.gz OZXRLMOBVKOCBT-GARJFASQSA-N 0 3 298.387 -1.107 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@@H]2CCCNC2=O)[nH]1 ZINC001133955915 776796294 /nfs/dbraw/zinc/79/62/94/776796294.db2.gz FOHAUWFAYPXJNY-SECBINFHSA-N 0 3 293.327 -1.288 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001133922527 776796462 /nfs/dbraw/zinc/79/64/62/776796462.db2.gz VRYCYZNLSBYGQF-HBNTYKKESA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133939318 776796725 /nfs/dbraw/zinc/79/67/25/776796725.db2.gz HFIHMELGFOSNKN-BBBLOLIVSA-N 0 3 284.360 -1.272 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943256 776797266 /nfs/dbraw/zinc/79/72/66/776797266.db2.gz LIWDQDOQSZVVRH-RQJHMYQMSA-N 0 3 285.304 -2.731 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133956751 776797282 /nfs/dbraw/zinc/79/72/82/776797282.db2.gz YNTOYXIQJZYOCY-ZETCQYMHSA-N 0 3 281.316 -1.433 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133942521 776797550 /nfs/dbraw/zinc/79/75/50/776797550.db2.gz AWUFBSKOZHCGDQ-ZJUUUORDSA-N 0 3 265.317 -1.253 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133942650 776797573 /nfs/dbraw/zinc/79/75/73/776797573.db2.gz FZDGNEXOFSWGPS-MNOVXSKESA-N 0 3 296.371 -1.318 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943929 776798001 /nfs/dbraw/zinc/79/80/01/776798001.db2.gz VEFTUOFWWAWPJB-SFYZADRCSA-N 0 3 299.331 -2.341 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001133943713 776798212 /nfs/dbraw/zinc/79/82/12/776798212.db2.gz SSVCSENBJVMFIL-CSMHCCOUSA-N 0 3 254.290 -2.298 20 0 CAADHN O=C(Cc1nnc[n-]1)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001170716935 776798918 /nfs/dbraw/zinc/79/89/18/776798918.db2.gz AGVHGHWUGKJYRX-MRVPVSSYSA-N 0 3 294.315 -1.752 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1ccc(C)n1 ZINC001133994264 776799013 /nfs/dbraw/zinc/79/90/13/776799013.db2.gz ANNQQGCDZINWEP-UHFFFAOYSA-N 0 3 253.306 -1.357 20 0 CAADHN CC[C@@H](C(=O)NCCNCc1nnn(C)n1)N(C)C ZINC001133982800 776799107 /nfs/dbraw/zinc/79/91/07/776799107.db2.gz NHBWBUBMKGUCAX-VIFPVBQESA-N 0 3 269.353 -1.244 20 0 CAADHN Cc1ccn(CC(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001134006078 776799195 /nfs/dbraw/zinc/79/91/95/776799195.db2.gz DKPOMIDDWCRQIW-JTQLQIEISA-N 0 3 265.317 -1.214 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c[nH]c(=O)cc1OC ZINC001134020989 776799549 /nfs/dbraw/zinc/79/95/49/776799549.db2.gz NHOUONFZWGMOPL-UHFFFAOYSA-N 0 3 282.300 -1.139 20 0 CAADHN Cn1cc(CNCCNC(=O)CCc2cnn[nH]2)nn1 ZINC001134016235 776799595 /nfs/dbraw/zinc/79/95/95/776799595.db2.gz DGUWHWPDTRFEHM-UHFFFAOYSA-N 0 3 278.320 -1.228 20 0 CAADHN CC[C@@H](C(=O)NCCNCc1nnnn1C)N(C)C ZINC001133982674 776799661 /nfs/dbraw/zinc/79/96/61/776799661.db2.gz HBTGPEJQNXAQLN-VIFPVBQESA-N 0 3 269.353 -1.244 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CC(=O)N(C)C ZINC001134933615 776830284 /nfs/dbraw/zinc/83/02/84/776830284.db2.gz YYOBBTZXTWTVDH-MRVPVSSYSA-N 0 3 258.322 -1.695 20 0 CAADHN Cn1[n-]c(C[NH2+]CCCNC(=O)Cc2nc[nH]n2)nc1=O ZINC001170717474 776801335 /nfs/dbraw/zinc/80/13/35/776801335.db2.gz RBNMOYXNKYEHMS-UHFFFAOYSA-N 0 3 294.319 -1.935 20 0 CAADHN CNC(=O)C[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170717384 776801498 /nfs/dbraw/zinc/80/14/98/776801498.db2.gz OMXYHTCGHMBBRS-UHFFFAOYSA-N 0 3 254.294 -1.811 20 0 CAADHN O=C(C[NH2+]CCCNC(=O)Cc1nnc[n-]1)NCC1CC1 ZINC001170717451 776801853 /nfs/dbraw/zinc/80/18/53/776801853.db2.gz QBYLSKJORDMURU-UHFFFAOYSA-N 0 3 294.359 -1.031 20 0 CAADHN O=C(Cc1nnc[n-]1)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001170717838 776801935 /nfs/dbraw/zinc/80/19/35/776801935.db2.gz UZEPFQTUZVNEQK-SECBINFHSA-N 0 3 280.332 -1.278 20 0 CAADHN O=C(Cc1nnc[n-]1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001170717897 776802576 /nfs/dbraw/zinc/80/25/76/776802576.db2.gz YDWLOVMFXFBBLS-MRVPVSSYSA-N 0 3 266.305 -1.668 20 0 CAADHN CNC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170717354 776803008 /nfs/dbraw/zinc/80/30/08/776803008.db2.gz OATJGNUOAFIRPI-UHFFFAOYSA-N 0 3 297.319 -2.101 20 0 CAADHN Cn1cnnc1CNCCNC(=O)CCc1cnn[nH]1 ZINC001134014115 776803095 /nfs/dbraw/zinc/80/30/95/776803095.db2.gz NIYANWMSPIBGPF-UHFFFAOYSA-N 0 3 278.320 -1.228 20 0 CAADHN C[C@@H]1CC[C@H](C(=O)NCCNCCNS(C)(=O)=O)O1 ZINC001134096098 776803772 /nfs/dbraw/zinc/80/37/72/776803772.db2.gz IWOCJKLJTSIOMG-NXEZZACHSA-N 0 3 293.389 -1.191 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1OCC[C@H]1C)C(=O)NC(N)=O ZINC001134031382 776803785 /nfs/dbraw/zinc/80/37/85/776803785.db2.gz KVKNXDKDPHAPBL-VGMNWLOBSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CC[C@@H](C)O1)C(=O)NC(N)=O ZINC001134095976 776803958 /nfs/dbraw/zinc/80/39/58/776803958.db2.gz BZEAIPZEEPBUOR-HRDYMLBCSA-N 0 3 286.332 -1.157 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001134043004 776804298 /nfs/dbraw/zinc/80/42/98/776804298.db2.gz PVFPNTUAZBSISY-NXEZZACHSA-N 0 3 279.344 -1.025 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H](C)C(N)=O)ncc1C(N)=O ZINC001134080407 776804361 /nfs/dbraw/zinc/80/43/61/776804361.db2.gz PPMWAVDRCZCTLN-MRVPVSSYSA-N 0 3 293.327 -1.318 20 0 CAADHN C[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001134029054 776804830 /nfs/dbraw/zinc/80/48/30/776804830.db2.gz SSMKHYJUTMAQKC-APPZFPTMSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC1CC1)[C@@H]1CCC(=O)N1 ZINC001134109672 776805360 /nfs/dbraw/zinc/80/53/60/776805360.db2.gz GIAYPAVTNYMCMC-KOLCDFICSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001134121234 776806239 /nfs/dbraw/zinc/80/62/39/776806239.db2.gz TYEHTOULSCQNSX-WDEREUQCSA-N 0 3 279.344 -1.025 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134098707 776806346 /nfs/dbraw/zinc/80/63/46/776806346.db2.gz HAPVGPWJNDZKPX-QMMMGPOBSA-N 0 3 281.320 -2.183 20 0 CAADHN Cc1c[nH]c(CC(N)=O)c1C(=O)NCCN[C@H](C)C(N)=O ZINC001134124241 776806594 /nfs/dbraw/zinc/80/65/94/776806594.db2.gz TZRMTNITFZQIAF-MRVPVSSYSA-N 0 3 295.343 -1.456 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)[C@H]1CCC(=O)N1 ZINC001134111801 776807115 /nfs/dbraw/zinc/80/71/15/776807115.db2.gz ZBGVVDAMRHGATH-HTQZYQBOSA-N 0 3 299.331 -2.198 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001134174495 776807795 /nfs/dbraw/zinc/80/77/95/776807795.db2.gz BSVCBVBNMGGOEY-ZJUUUORDSA-N 0 3 298.343 -1.588 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](CC)NC(C)=O ZINC001134168861 776808084 /nfs/dbraw/zinc/80/80/84/776808084.db2.gz WPRRRKTTXNASRD-SNVBAGLBSA-N 0 3 272.349 -1.257 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](CC)NC(C)=O ZINC001134168860 776808165 /nfs/dbraw/zinc/80/81/65/776808165.db2.gz WPRRRKTTXNASRD-JTQLQIEISA-N 0 3 272.349 -1.257 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCNCC(=O)NC ZINC001134168194 776808249 /nfs/dbraw/zinc/80/82/49/776808249.db2.gz MFADGPBHRMTJDC-SECBINFHSA-N 0 3 258.322 -1.647 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001134174494 776808379 /nfs/dbraw/zinc/80/83/79/776808379.db2.gz BSVCBVBNMGGOEY-VHSXEESVSA-N 0 3 298.343 -1.588 20 0 CAADHN C[C@@H](O)CN(CCO)CCN1C(=O)N[C@@H](C)C1=O ZINC001170733243 776808465 /nfs/dbraw/zinc/80/84/65/776808465.db2.gz REEOIJDEJQFRRI-BDAKNGLRSA-N 0 3 259.306 -1.398 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1ccnnc1 ZINC001134283418 776809803 /nfs/dbraw/zinc/80/98/03/776809803.db2.gz FOKZXWJSCVFISY-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H](CC)NC(C)=O)C(N)=O ZINC001134175341 776810065 /nfs/dbraw/zinc/81/00/65/776810065.db2.gz PXMNXSGRGRYRSF-ZJUUUORDSA-N 0 3 272.349 -1.129 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccnnc1 ZINC001134283243 776810255 /nfs/dbraw/zinc/81/02/55/776810255.db2.gz ABEOPWMXZSVRLK-UHFFFAOYSA-N 0 3 280.288 -1.748 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCN[C@@H](C)C(=O)NC ZINC001134174874 776810676 /nfs/dbraw/zinc/81/06/76/776810676.db2.gz HLPWAADRGYUOMW-WPRPVWTQSA-N 0 3 272.349 -1.259 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccnnc1 ZINC001134283305 776810954 /nfs/dbraw/zinc/81/09/54/776810954.db2.gz BGPIALXLLMVHEK-UHFFFAOYSA-N 0 3 251.290 -1.068 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134353370 776811476 /nfs/dbraw/zinc/81/14/76/776811476.db2.gz UMSDNYWSEOIGCQ-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccnnc1 ZINC001134292072 776811667 /nfs/dbraw/zinc/81/16/67/776811667.db2.gz SPIPEGPSBWAGOJ-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC12CC2 ZINC001134305447 776812075 /nfs/dbraw/zinc/81/20/75/776812075.db2.gz OKVOYKWZNNBEJL-QMMMGPOBSA-N 0 3 268.317 -1.052 20 0 CAADHN C[C@H](NCCNC(=O)c1ccnnc1)C(=O)NC(N)=O ZINC001134292279 776812197 /nfs/dbraw/zinc/81/21/97/776812197.db2.gz WTUHZHBMGDSKOR-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134351728 776812453 /nfs/dbraw/zinc/81/24/53/776812453.db2.gz DIDHJVXVYGNGIO-JGVFFNPUSA-N 0 3 294.377 -2.236 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1ccnnc1 ZINC001134290851 776812583 /nfs/dbraw/zinc/81/25/83/776812583.db2.gz ZEJCWVMVGVENIR-UHFFFAOYSA-N 0 3 287.345 -1.655 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001134354061 776812594 /nfs/dbraw/zinc/81/25/94/776812594.db2.gz ZUYSEWZYHGLASW-JGVFFNPUSA-N 0 3 292.361 -2.482 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCCNCC(N)=O ZINC001134353933 776812656 /nfs/dbraw/zinc/81/26/56/776812656.db2.gz YHWPXADTKGFVOK-ZCFIWIBFSA-N 0 3 266.323 -2.885 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NCCNCC(=O)N(C)C ZINC001134351756 776812696 /nfs/dbraw/zinc/81/26/96/776812696.db2.gz FBEBFPGAWWFWSZ-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cc1c[nH]cn1 ZINC001134406829 776813387 /nfs/dbraw/zinc/81/33/87/776813387.db2.gz DBSUETGXPYWQCC-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN C[C@H](NCCNC(=O)Cc1c[nH]cn1)C(=O)NC(N)=O ZINC001134401029 776813829 /nfs/dbraw/zinc/81/38/29/776813829.db2.gz UOVPPWHDERWTOO-ZETCQYMHSA-N 0 3 282.304 -1.759 20 0 CAADHN O=C(Cc1c[nH]cn1)NCCNCC(=O)N1CCC1 ZINC001134406955 776813927 /nfs/dbraw/zinc/81/39/27/776813927.db2.gz JZTBZLQGXMYBFN-UHFFFAOYSA-N 0 3 265.317 -1.110 20 0 CAADHN Cc1ccc(C(=O)NCCNCC(N)=O)c(=O)[nH]1 ZINC001134367932 776814035 /nfs/dbraw/zinc/81/40/35/776814035.db2.gz QCXHATVMIWGKGJ-UHFFFAOYSA-N 0 3 252.274 -1.100 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)Cc2c[nH]cn2)C1=O ZINC001134397661 776814329 /nfs/dbraw/zinc/81/43/29/776814329.db2.gz RGRFPBWVPLAQOV-SNVBAGLBSA-N 0 3 265.317 -1.111 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H](C)NS(C)(=O)=O)C(N)=O ZINC001134355939 776814575 /nfs/dbraw/zinc/81/45/75/776814575.db2.gz FLEZQXMTYHFOQJ-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cc1c[nH]cn1 ZINC001134397165 776814601 /nfs/dbraw/zinc/81/46/01/776814601.db2.gz KNPLFUFYMWBAAN-MRVPVSSYSA-N 0 3 253.306 -1.208 20 0 CAADHN CC[C@H](NCCNC(=O)Cc1c[nH]cn1)C(N)=O ZINC001134396861 776814990 /nfs/dbraw/zinc/81/49/90/776814990.db2.gz GNGPHZIHDQDLFN-VIFPVBQESA-N 0 3 253.306 -1.078 20 0 CAADHN O=C(Cc1c[nH]cn1)NCCN[C@H]1CCCNC1=O ZINC001134393517 776815080 /nfs/dbraw/zinc/81/50/80/776815080.db2.gz NZLYCUUOIBLUMO-JTQLQIEISA-N 0 3 265.317 -1.063 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)N1CCC1 ZINC001134461390 776815348 /nfs/dbraw/zinc/81/53/48/776815348.db2.gz SWUKCIPSAAHJFM-QMMMGPOBSA-N 0 3 297.315 -2.477 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)cn1 ZINC001134461720 776815546 /nfs/dbraw/zinc/81/55/46/776815546.db2.gz ZCZIDKKSVZVPQP-VIFPVBQESA-N 0 3 294.315 -1.776 20 0 CAADHN O=C(Cc1c[nH]cn1)NCCN[C@H]1CCC(=O)NC1=O ZINC001134394083 776815699 /nfs/dbraw/zinc/81/56/99/776815699.db2.gz XIQIDLWDYVMHTO-VIFPVBQESA-N 0 3 279.300 -1.537 20 0 CAADHN O=C(Cc1c[nH]cn1)NCCN[C@@H]1CCCNC1=O ZINC001134393518 776816178 /nfs/dbraw/zinc/81/61/78/776816178.db2.gz NZLYCUUOIBLUMO-SNVBAGLBSA-N 0 3 265.317 -1.063 20 0 CAADHN O=C(Cc1c[nH]cn1)NCCN[C@H]1CCNC1=O ZINC001134407089 776816722 /nfs/dbraw/zinc/81/67/22/776816722.db2.gz QFCUWICLGWFVAO-VIFPVBQESA-N 0 3 251.290 -1.454 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455984 776817455 /nfs/dbraw/zinc/81/74/55/776817455.db2.gz MXWBIJYOQNCXCI-RQJHMYQMSA-N 0 3 285.304 -2.575 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)NCCNCC(N)=O ZINC001134487567 776817586 /nfs/dbraw/zinc/81/75/86/776817586.db2.gz RMQAWLAAAQNZFB-UHFFFAOYSA-N 0 3 281.338 -3.427 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)N(C)C ZINC001134455981 776818183 /nfs/dbraw/zinc/81/81/83/776818183.db2.gz MWODVHHVCHUAIZ-YUMQZZPRSA-N 0 3 299.331 -2.233 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460861 776818748 /nfs/dbraw/zinc/81/87/48/776818748.db2.gz LSEDNCHOSAYMCQ-QMMMGPOBSA-N 0 3 299.331 -2.185 20 0 CAADHN CCCN1C[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)CC1=O ZINC001134503466 776819310 /nfs/dbraw/zinc/81/93/10/776819310.db2.gz NFXDMTPJEFMUFV-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCc1oncc1C(=O)NCCNCC(=O)NC(N)=O ZINC001134546383 776819802 /nfs/dbraw/zinc/81/98/02/776819802.db2.gz BUJXUFCCCNREOX-UHFFFAOYSA-N 0 3 283.288 -1.249 20 0 CAADHN Cc1ccnn1CC(=O)NCCN[C@H]1CCNC1=O ZINC001134513307 776819819 /nfs/dbraw/zinc/81/98/19/776819819.db2.gz LPUOSEMCRCSVNJ-JTQLQIEISA-N 0 3 265.317 -1.214 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)NCCNC/C=C/Cl ZINC001134491579 776820056 /nfs/dbraw/zinc/82/00/56/776820056.db2.gz WYEQGXRPKKBBPF-ONEGZZNKSA-N 0 3 298.796 -1.159 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1nccc1C ZINC001134517817 776820134 /nfs/dbraw/zinc/82/01/34/776820134.db2.gz TUPGMIBJGONUCZ-UHFFFAOYSA-N 0 3 253.306 -1.357 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1ccc(C)cc1=O ZINC001134534564 776820313 /nfs/dbraw/zinc/82/03/13/776820313.db2.gz JAWOPUPCKOVOHO-UHFFFAOYSA-N 0 3 280.328 -1.391 20 0 CAADHN CCCN1C[C@@H](C(=O)NCCN[C@H]2CCNC2=O)CC1=O ZINC001134503465 776820396 /nfs/dbraw/zinc/82/03/96/776820396.db2.gz NFXDMTPJEFMUFV-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CCCn1cc(C(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001134531845 776820504 /nfs/dbraw/zinc/82/05/04/776820504.db2.gz NRMPGEHDTCIKPS-UHFFFAOYSA-N 0 3 296.331 -1.193 20 0 CAADHN Cc1ccnn1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001134513152 776820531 /nfs/dbraw/zinc/82/05/31/776820531.db2.gz CYIPRIYAAQUETP-VIFPVBQESA-N 0 3 253.306 -1.229 20 0 CAADHN NC(=O)CNCCNC(=O)COC[C@H]1CCOC1 ZINC001134640331 776821166 /nfs/dbraw/zinc/82/11/66/776821166.db2.gz FPXIHSIPRCVXCJ-VIFPVBQESA-N 0 3 259.306 -1.769 20 0 CAADHN C[C@@H](NCCNC(=O)COC1CCOCC1)C(N)=O ZINC001134632859 776821495 /nfs/dbraw/zinc/82/14/95/776821495.db2.gz IZWHXDSSPDMFHC-SECBINFHSA-N 0 3 273.333 -1.238 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001134610446 776821543 /nfs/dbraw/zinc/82/15/43/776821543.db2.gz VWPXUDSOLSPLLA-ZJUUUORDSA-N 0 3 284.360 -1.270 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC001134617141 776821638 /nfs/dbraw/zinc/82/16/38/776821638.db2.gz HYJXPOWHJKZOAU-IUCAKERBSA-N 0 3 270.333 -1.531 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001134617140 776821656 /nfs/dbraw/zinc/82/16/56/776821656.db2.gz HYJXPOWHJKZOAU-DTWKUNHWSA-N 0 3 270.333 -1.531 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC001134610444 776822023 /nfs/dbraw/zinc/82/20/23/776822023.db2.gz VWPXUDSOLSPLLA-UWVGGRQHSA-N 0 3 284.360 -1.270 20 0 CAADHN NC(=O)CNCCNC(=O)C1(N2CCOCC2)CCCC1 ZINC001134612982 776822084 /nfs/dbraw/zinc/82/20/84/776822084.db2.gz GARUBPJSRJTBLY-UHFFFAOYSA-N 0 3 298.387 -1.178 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)COC[C@@H]1CCOC1 ZINC001134640524 776822224 /nfs/dbraw/zinc/82/22/24/776822224.db2.gz IMBJHEAAKIRQHJ-LLVKDONJSA-N 0 3 287.360 -1.167 20 0 CAADHN COc1c(C(=O)NCCN[C@@H]2CCNC2=O)c(C)nn1C ZINC001134596910 776822241 /nfs/dbraw/zinc/82/22/41/776822241.db2.gz ZMTXKNYZXCGCCP-SECBINFHSA-N 0 3 295.343 -1.055 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001134610445 776822316 /nfs/dbraw/zinc/82/23/16/776822316.db2.gz VWPXUDSOLSPLLA-VHSXEESVSA-N 0 3 284.360 -1.270 20 0 CAADHN O=C(COC[C@H]1CCOC1)NCCN[C@@H]1CCNC1=O ZINC001134640224 776822507 /nfs/dbraw/zinc/82/25/07/776822507.db2.gz CRUOMFBQDDYSSW-WDEREUQCSA-N 0 3 285.344 -1.366 20 0 CAADHN COCCO[C@H](C)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001134674124 776822859 /nfs/dbraw/zinc/82/28/59/776822859.db2.gz VTIFTVKLJQPDRD-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)COC[C@H]2CCOC2)C1=O ZINC001134656285 776822878 /nfs/dbraw/zinc/82/28/78/776822878.db2.gz ZPYIBDFCWCROTK-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN CN1CC[C@H](NCCNC(=O)COC[C@H]2CCOC2)C1=O ZINC001134656286 776823361 /nfs/dbraw/zinc/82/33/61/776823361.db2.gz ZPYIBDFCWCROTK-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H](NCCNC(=O)COC[C@@H]1CCOC1)C(N)=O ZINC001134640954 776823782 /nfs/dbraw/zinc/82/37/82/776823782.db2.gz PBAKLNNPFPQETP-VHSXEESVSA-N 0 3 273.333 -1.381 20 0 CAADHN CC[C@H](NCCNC(=O)C(C)(C)S(C)(=O)=O)C(N)=O ZINC001134669157 776824364 /nfs/dbraw/zinc/82/43/64/776824364.db2.gz AKCOOXKBJXEBQA-QMMMGPOBSA-N 0 3 293.389 -1.221 20 0 CAADHN COCCO[C@@H](C)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001134674127 776824502 /nfs/dbraw/zinc/82/45/02/776824502.db2.gz VTIFTVKLJQPDRD-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)OCCOC ZINC001134660269 776824830 /nfs/dbraw/zinc/82/48/30/776824830.db2.gz WOSXUPQOYDMGIP-VIFPVBQESA-N 0 3 261.322 -1.510 20 0 CAADHN COCCO[C@H](C)C(=O)NCCN[C@H](C)C(N)=O ZINC001134659812 776825119 /nfs/dbraw/zinc/82/51/19/776825119.db2.gz LAFIQPFMKYPXKC-RKDXNWHRSA-N 0 3 261.322 -1.383 20 0 CAADHN CCNC(=O)NC(C)(C)C(=O)NCCNCC(N)=O ZINC001134700901 776825218 /nfs/dbraw/zinc/82/52/18/776825218.db2.gz UHHUVVURBLLAMP-UHFFFAOYSA-N 0 3 273.337 -1.725 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](C)OCCOC ZINC001134660143 776825324 /nfs/dbraw/zinc/82/53/24/776825324.db2.gz STRWZVCFTYNCOL-SNVBAGLBSA-N 0 3 275.349 -1.120 20 0 CAADHN COCCO[C@@H](C)C(=O)NCCN[C@H](C)C(N)=O ZINC001134659809 776825481 /nfs/dbraw/zinc/82/54/81/776825481.db2.gz LAFIQPFMKYPXKC-BDAKNGLRSA-N 0 3 261.322 -1.383 20 0 CAADHN COCCO[C@H](C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001134660332 776825659 /nfs/dbraw/zinc/82/56/59/776825659.db2.gz XWBAXNYRKQOUTD-NXEZZACHSA-N 0 3 273.333 -1.368 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)OCCOC ZINC001134660268 776825797 /nfs/dbraw/zinc/82/57/97/776825797.db2.gz WOSXUPQOYDMGIP-SECBINFHSA-N 0 3 261.322 -1.510 20 0 CAADHN COCCO[C@H](C)C(=O)NCCNCC(=O)N(C)C ZINC001134659631 776825863 /nfs/dbraw/zinc/82/58/63/776825863.db2.gz GOBDCDFGMNYXNL-SNVBAGLBSA-N 0 3 275.349 -1.168 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001134666074 776826089 /nfs/dbraw/zinc/82/60/89/776826089.db2.gz ZTRKSHAGMVFGRC-UHFFFAOYSA-N 0 3 297.315 -2.851 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)NCCNCCF)C1=O ZINC001134714240 776826119 /nfs/dbraw/zinc/82/61/19/776826119.db2.gz GEJYIUWCBYDWOE-UHFFFAOYSA-N 0 3 274.252 -1.918 20 0 CAADHN Cn1cc(C(=O)NCCNCC(N)=O)c(=O)n(C)c1=O ZINC001134665170 776826337 /nfs/dbraw/zinc/82/63/37/776826337.db2.gz IJGNWZDJTSHMGY-UHFFFAOYSA-N 0 3 283.288 -3.111 20 0 CAADHN NC(=O)CNCCNC(=O)C1(NC(N)=O)CCCCC1 ZINC001134738170 776827155 /nfs/dbraw/zinc/82/71/55/776827155.db2.gz IDRGXOCJVQEAEN-UHFFFAOYSA-N 0 3 285.348 -1.451 20 0 CAADHN C[C@@H](NCCNC(=O)C1(NC(N)=O)CCCCC1)C(N)=O ZINC001134738531 776827636 /nfs/dbraw/zinc/82/76/36/776827636.db2.gz RBAJPFINRDLCJN-SECBINFHSA-N 0 3 299.375 -1.063 20 0 CAADHN CNC(=O)CNCCNC(=O)C1(NC(N)=O)CCCCC1 ZINC001134734438 776827743 /nfs/dbraw/zinc/82/77/43/776827743.db2.gz FHSQGBKWKAROBW-UHFFFAOYSA-N 0 3 299.375 -1.191 20 0 CAADHN CCn1ccc(C(=O)NCCNCC(=O)NC(=O)NC)n1 ZINC001134773821 776827761 /nfs/dbraw/zinc/82/77/61/776827761.db2.gz VIAPRZHZEIHWRU-UHFFFAOYSA-N 0 3 296.331 -1.322 20 0 CAADHN CCn1ccc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)n1 ZINC001134770055 776827826 /nfs/dbraw/zinc/82/78/26/776827826.db2.gz QIDHFJUFPQDDCL-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN C[C@H](NCCNC(=O)C1(NC(N)=O)CCCCC1)C(N)=O ZINC001134738532 776827889 /nfs/dbraw/zinc/82/78/89/776827889.db2.gz RBAJPFINRDLCJN-VIFPVBQESA-N 0 3 299.375 -1.063 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCNCC(N)=O)C(N)=O ZINC001134829682 776828526 /nfs/dbraw/zinc/82/85/26/776828526.db2.gz NVSGQMAMXVJULD-ZETCQYMHSA-N 0 3 273.293 -3.442 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCN[C@@H]1CCNC1=O)C(N)=O ZINC001134829077 776829467 /nfs/dbraw/zinc/82/94/67/776829467.db2.gz BCJXHPFLEYSUNO-BDAKNGLRSA-N 0 3 299.331 -3.039 20 0 CAADHN COc1cncc(C(=O)NCCNCC(N)=O)n1 ZINC001134836127 776829556 /nfs/dbraw/zinc/82/95/56/776829556.db2.gz BQFIFXVMNDOUQX-UHFFFAOYSA-N 0 3 253.262 -1.710 20 0 CAADHN COCc1cc(C(=O)NCCNCC(N)=O)no1 ZINC001134911452 776830034 /nfs/dbraw/zinc/83/00/34/776830034.db2.gz YMFWTMOCIFUEIE-UHFFFAOYSA-N 0 3 256.262 -1.374 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cncc(OC)n1 ZINC001134837391 776830143 /nfs/dbraw/zinc/83/01/43/776830143.db2.gz ZQYRLXUXHGNKRJ-UHFFFAOYSA-N 0 3 281.316 -1.059 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1cscn1 ZINC001134860073 776830726 /nfs/dbraw/zinc/83/07/26/776830726.db2.gz MUGAQAQIHHVAHH-UHFFFAOYSA-N 0 3 285.329 -1.414 20 0 CAADHN NC(=O)CNCCNC(=O)c1cncc(N2CCCC2)n1 ZINC001134838639 776830898 /nfs/dbraw/zinc/83/08/98/776830898.db2.gz AODYHPWGELTDNG-UHFFFAOYSA-N 0 3 292.343 -1.119 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CC(=O)N(C)C)C1=O ZINC001134932766 776831468 /nfs/dbraw/zinc/83/14/68/776831468.db2.gz HYVFVQDHJUVHCG-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CN(C)C(=O)CC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001134942092 776832039 /nfs/dbraw/zinc/83/20/39/776832039.db2.gz YUPHADMREYBKPM-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CC[C@@H](NCCNC(=O)CC(=O)N(C)C)C(N)=O ZINC001134936029 776832709 /nfs/dbraw/zinc/83/27/09/776832709.db2.gz BCUDGAGYYOFTHT-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN CC(C)(NS(C)(=O)=O)C(=O)NCCNCC(N)=O ZINC001134960979 776832933 /nfs/dbraw/zinc/83/29/33/776832933.db2.gz HVDPTOAPYFMGNE-UHFFFAOYSA-N 0 3 280.350 -2.495 20 0 CAADHN C[C@@H](NCCNC(=O)CC(=O)N(C)C)C(=O)NC1CC1 ZINC001134936508 776833096 /nfs/dbraw/zinc/83/30/96/776833096.db2.gz VIRAJUQJGNHDQF-SECBINFHSA-N 0 3 284.360 -1.162 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnc2cccnn21 ZINC001134945291 776833448 /nfs/dbraw/zinc/83/34/48/776833448.db2.gz STCPJHBHDHYZGW-UHFFFAOYSA-N 0 3 262.273 -1.466 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1nnnc1C(C)C ZINC001135001750 776834015 /nfs/dbraw/zinc/83/40/15/776834015.db2.gz JYMGBYMJGIRDLH-UHFFFAOYSA-N 0 3 283.336 -1.752 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCc1cn[nH]c1 ZINC001135050002 776834241 /nfs/dbraw/zinc/83/42/41/776834241.db2.gz RWCDBNLQNKORTK-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN CC(C)c1nnnn1CC(=O)NCCN[C@H]1CCNC1=O ZINC001135001563 776834457 /nfs/dbraw/zinc/83/44/57/776834457.db2.gz ACQPIBHRXCSVJS-VIFPVBQESA-N 0 3 295.347 -1.609 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1cn[nH]c1 ZINC001135049721 776834942 /nfs/dbraw/zinc/83/49/42/776834942.db2.gz KPEWJXXSLFSWHL-UHFFFAOYSA-N 0 3 282.304 -1.757 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1nnnc1C(C)C)C(N)=O ZINC001135001679 776835111 /nfs/dbraw/zinc/83/51/11/776835111.db2.gz GUCOPAJQMRHANW-SECBINFHSA-N 0 3 297.363 -1.234 20 0 CAADHN CC(C)c1nnnn1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001135001562 776835185 /nfs/dbraw/zinc/83/51/85/776835185.db2.gz ACQPIBHRXCSVJS-SECBINFHSA-N 0 3 295.347 -1.609 20 0 CAADHN CC(C)c1nnnn1CC(=O)NCCNCC(N)=O ZINC001135001564 776835324 /nfs/dbraw/zinc/83/53/24/776835324.db2.gz AENUVVZVIDHAGM-UHFFFAOYSA-N 0 3 269.309 -2.012 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1nc(C)c[nH]1 ZINC001135054679 776835851 /nfs/dbraw/zinc/83/58/51/776835851.db2.gz JUTQKLQCUFGMJC-UHFFFAOYSA-N 0 3 282.304 -1.507 20 0 CAADHN Cc1c[nH]c(C(=O)NCCNCCNS(C)(=O)=O)n1 ZINC001135061600 776835956 /nfs/dbraw/zinc/83/59/56/776835956.db2.gz WSZMVRDKOJSACE-UHFFFAOYSA-N 0 3 289.361 -1.413 20 0 CAADHN Cc1c[nH]c(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)n1 ZINC001135054652 776836170 /nfs/dbraw/zinc/83/61/70/776836170.db2.gz IVQCMAZSFCONPU-MRVPVSSYSA-N 0 3 279.300 -1.157 20 0 CAADHN CN1CC[C@H](C(=O)NCCNCC(N)=O)S1(=O)=O ZINC001135129893 776836331 /nfs/dbraw/zinc/83/63/31/776836331.db2.gz REGBCPCRLWEGKB-SSDOTTSWSA-N 0 3 278.334 -2.789 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001135126303 776836670 /nfs/dbraw/zinc/83/66/70/776836670.db2.gz QQKNFCDCEHBZHF-MRVPVSSYSA-N 0 3 292.361 -2.528 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCN(C)S1(=O)=O)C(N)=O ZINC001135130091 776836685 /nfs/dbraw/zinc/83/66/85/776836685.db2.gz WKCHKIBPRQEEPG-HTQZYQBOSA-N 0 3 292.361 -2.400 20 0 CAADHN Cc1c[nH]c(C(=O)NCCNCC(=O)N2CCOCC2)n1 ZINC001135055211 776836711 /nfs/dbraw/zinc/83/67/11/776836711.db2.gz PSUWQNPSNISHFZ-UHFFFAOYSA-N 0 3 295.343 -1.104 20 0 CAADHN CN1CC[C@@H](C(=O)NCCNCCF)S1(=O)=O ZINC001135129336 776837399 /nfs/dbraw/zinc/83/73/99/776837399.db2.gz GGDHRPYCSJPJLM-QMMMGPOBSA-N 0 3 267.326 -1.304 20 0 CAADHN Cc1c[nH]c(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001135055162 776837437 /nfs/dbraw/zinc/83/74/37/776837437.db2.gz NXPLYMMOJNRXJG-QMMMGPOBSA-N 0 3 251.290 -1.074 20 0 CAADHN O=C(NCCNCCF)C1CC2(C1)NC(=O)NC2=O ZINC001135159162 776837725 /nfs/dbraw/zinc/83/77/25/776837725.db2.gz OSDSDTUHZRDTRY-UHFFFAOYSA-N 0 3 272.280 -1.350 20 0 CAADHN CCNC(=O)CNCCNC(=O)C(C)(C)CNC(C)=O ZINC001135173102 776837790 /nfs/dbraw/zinc/83/77/90/776837790.db2.gz XNFPGLXKDYIWAI-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)NCCNCC(N)=O ZINC001135172890 776838826 /nfs/dbraw/zinc/83/88/26/776838826.db2.gz NVQRJUMVQIFFNL-UHFFFAOYSA-N 0 3 258.322 -1.660 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001283771008 777916257 /nfs/dbraw/zinc/91/62/57/777916257.db2.gz MTPCXIFZPSWESP-ZJUUUORDSA-N 0 3 273.333 -1.774 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cncn1C ZINC001283770512 777916407 /nfs/dbraw/zinc/91/64/07/777916407.db2.gz KYBOQHMHFHFSRR-SECBINFHSA-N 0 3 256.306 -1.253 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001283772875 777916454 /nfs/dbraw/zinc/91/64/54/777916454.db2.gz TYTRYWQMELKEHC-MRVPVSSYSA-N 0 3 272.305 -1.250 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001283772879 777916611 /nfs/dbraw/zinc/91/66/11/777916611.db2.gz TYTRYWQMELKEHC-QMMMGPOBSA-N 0 3 272.305 -1.250 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001283782678 777917075 /nfs/dbraw/zinc/91/70/75/777917075.db2.gz RZUNPLACZAMKEV-UWVGGRQHSA-N 0 3 294.373 -1.866 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001283795342 777917838 /nfs/dbraw/zinc/91/78/38/777917838.db2.gz DPGIURIDIZROMX-ZJUUUORDSA-N 0 3 273.333 -1.822 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001283795339 777918150 /nfs/dbraw/zinc/91/81/50/777918150.db2.gz DPGIURIDIZROMX-NXEZZACHSA-N 0 3 273.333 -1.822 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001283785207 777918256 /nfs/dbraw/zinc/91/82/56/777918256.db2.gz RPEKRKKZLXQPCE-QWRGUYRKSA-N 0 3 287.360 -1.384 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001283795340 777918402 /nfs/dbraw/zinc/91/84/02/777918402.db2.gz DPGIURIDIZROMX-UWVGGRQHSA-N 0 3 273.333 -1.822 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001283785206 777918494 /nfs/dbraw/zinc/91/84/94/777918494.db2.gz RPEKRKKZLXQPCE-MNOVXSKESA-N 0 3 287.360 -1.384 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cccnn1 ZINC001283813370 777920355 /nfs/dbraw/zinc/92/03/55/777920355.db2.gz ABWQUVYZBUAHQZ-SECBINFHSA-N 0 3 254.290 -1.197 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@H](CO)NCCO)c[nH]1 ZINC001283819783 777920668 /nfs/dbraw/zinc/92/06/68/777920668.db2.gz ZQLUVAZEDLGSSY-SECBINFHSA-N 0 3 269.301 -1.644 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001283815192 777921014 /nfs/dbraw/zinc/92/10/14/777921014.db2.gz LCBCMIYBGHKDIL-VIFPVBQESA-N 0 3 287.316 -2.248 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cccnn1 ZINC001283813372 777921209 /nfs/dbraw/zinc/92/12/09/777921209.db2.gz ABWQUVYZBUAHQZ-VIFPVBQESA-N 0 3 254.290 -1.197 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](CO)NCCOC)CCC1 ZINC001283824648 777922122 /nfs/dbraw/zinc/92/21/22/777922122.db2.gz MSCGBSCEKIOUCB-SNVBAGLBSA-N 0 3 287.360 -1.384 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](CO)NCCOC)CCC1 ZINC001283824645 777922164 /nfs/dbraw/zinc/92/21/64/777922164.db2.gz MSCGBSCEKIOUCB-JTQLQIEISA-N 0 3 287.360 -1.384 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cccnc1C(N)=O ZINC001283832835 777922436 /nfs/dbraw/zinc/92/24/36/777922436.db2.gz XTXUSANCEAQWQF-VIFPVBQESA-N 0 3 296.327 -1.493 20 0 CAADHN CCN(CC)CC(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC001283891272 777923781 /nfs/dbraw/zinc/92/37/81/777923781.db2.gz IINPYMYOSBYXRQ-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001284481351 777944817 /nfs/dbraw/zinc/94/48/17/777944817.db2.gz GIYBCJMATDYZPZ-QWRGUYRKSA-N 0 3 260.334 -1.234 20 0 CAADHN CC[C@@H](C(=O)N(C)CCNC(=O)CC(N)=O)N(C)C ZINC001284505833 777944840 /nfs/dbraw/zinc/94/48/40/777944840.db2.gz OGNCNDLFIUBJRH-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001284152297 777928844 /nfs/dbraw/zinc/92/88/44/777928844.db2.gz WBLUKKKFIJNJBE-MPXOCVNLSA-N 0 3 294.355 -1.471 20 0 CAADHN CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O)N(C)C ZINC001284150933 777929176 /nfs/dbraw/zinc/92/91/76/777929176.db2.gz HPIHORPWNMIHHV-MPXOCVNLSA-N 0 3 296.371 -1.225 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21)N(C)C ZINC001284178835 777929549 /nfs/dbraw/zinc/92/95/49/777929549.db2.gz PPKBTIZNOMZTSV-QCLAVDOMSA-N 0 3 282.344 -1.615 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](C)CNC(=O)CC(N)=O ZINC001284213229 777930446 /nfs/dbraw/zinc/93/04/46/777930446.db2.gz MAYJTYOHRQPHBU-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001284318127 777934911 /nfs/dbraw/zinc/93/49/11/777934911.db2.gz JVDJMDLXILJUGG-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001284318125 777935562 /nfs/dbraw/zinc/93/55/62/777935562.db2.gz JVDJMDLXILJUGG-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001284318124 777935703 /nfs/dbraw/zinc/93/57/03/777935703.db2.gz JVDJMDLXILJUGG-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN NC(=O)C(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001284360765 777937067 /nfs/dbraw/zinc/93/70/67/777937067.db2.gz FNUVRPSGABWBFU-JTQLQIEISA-N 0 3 282.344 -1.468 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001284376470 777938160 /nfs/dbraw/zinc/93/81/60/777938160.db2.gz VYOVKIUXJKKBOC-XPUUQOCRSA-N 0 3 260.294 -2.001 20 0 CAADHN CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001284376467 777938266 /nfs/dbraw/zinc/93/82/66/777938266.db2.gz VYOVKIUXJKKBOC-POYBYMJQSA-N 0 3 260.294 -2.001 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@@H](CNC(=O)C(N)=O)C1)N(C)C ZINC001284379651 777938499 /nfs/dbraw/zinc/93/84/99/777938499.db2.gz LIUQASGJOVUWDF-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001284397911 777939749 /nfs/dbraw/zinc/93/97/49/777939749.db2.gz CMQSQJOTBVFARL-HTQZYQBOSA-N 0 3 274.321 -2.595 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)C[C@H]1CC(=O)NC1=O ZINC001284479764 777944857 /nfs/dbraw/zinc/94/48/57/777944857.db2.gz ZSJANSRIMCZMCY-RKDXNWHRSA-N 0 3 289.307 -1.582 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001284483539 777945796 /nfs/dbraw/zinc/94/57/96/777945796.db2.gz UEUDGOKRSRZZSY-JTQLQIEISA-N 0 3 268.317 -1.166 20 0 CAADHN CC(=O)N(C)C[C@H](O)CN(C)CCN1C(=O)CCC1=O ZINC001284475688 777945941 /nfs/dbraw/zinc/94/59/41/777945941.db2.gz CBRJWRJNDVGPDG-LLVKDONJSA-N 0 3 285.344 -1.094 20 0 CAADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCN(C)C(=O)C(N)=O ZINC001284535028 777948886 /nfs/dbraw/zinc/94/88/86/777948886.db2.gz FAHWMFQSIBIMAH-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)C(N)=O)C(C)(C)C ZINC001284625790 777952380 /nfs/dbraw/zinc/95/23/80/777952380.db2.gz SAXKFYIXJDUXKI-QMMMGPOBSA-N 0 3 272.349 -1.272 20 0 CAADHN CC[C@@H](C(N)=O)N1CCC([C@@H](C)NC(=O)C(N)=O)CC1 ZINC001284696059 777955068 /nfs/dbraw/zinc/95/50/68/777955068.db2.gz ZGIYZAPNJJHMMD-SCZZXKLOSA-N 0 3 284.360 -1.048 20 0 CAADHN Cc1cnn(C)c1C(=O)N(C)CCOCCNCC(N)=O ZINC001284874665 777956617 /nfs/dbraw/zinc/95/66/17/777956617.db2.gz MKLUPQAIKCSUGP-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN COCC(=O)N(C)CCOCCN[C@@H]1CCN(C)C1=O ZINC001284852663 777956768 /nfs/dbraw/zinc/95/67/68/777956768.db2.gz BLSZTGGGOXVCOS-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN C[C@H](NCCOCCN(C)C(=O)c1cc[nH]n1)C(N)=O ZINC001284854991 777957032 /nfs/dbraw/zinc/95/70/32/777957032.db2.gz UKJTZJVVKAKRAV-VIFPVBQESA-N 0 3 283.332 -1.038 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1ncn(C)n1 ZINC001284863699 777957482 /nfs/dbraw/zinc/95/74/82/777957482.db2.gz LJKCGYXLUTVVRX-UHFFFAOYSA-N 0 3 284.320 -2.021 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)[C@@H]1CCCO1 ZINC001284855956 777957638 /nfs/dbraw/zinc/95/76/38/777957638.db2.gz WIBFCZCRYBYHFJ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)c1nonc1C ZINC001284877531 777958740 /nfs/dbraw/zinc/95/87/40/777958740.db2.gz CQKHHSUFLCOJAX-UHFFFAOYSA-N 0 3 299.331 -1.198 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)CC(N)=O)C1 ZINC001284894614 777959826 /nfs/dbraw/zinc/95/98/26/777959826.db2.gz SOXOQVDJMRJOOX-UHFFFAOYSA-N 0 3 270.333 -1.471 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1)N(C)C ZINC001284925239 777961624 /nfs/dbraw/zinc/96/16/24/777961624.db2.gz MKUAAYBFGUFEQZ-QWRGUYRKSA-N 0 3 296.371 -1.210 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC001284929224 777961988 /nfs/dbraw/zinc/96/19/88/777961988.db2.gz SGWWOMLWBANIML-LLVKDONJSA-N 0 3 296.371 -1.210 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1)N(C)C ZINC001284925238 777962057 /nfs/dbraw/zinc/96/20/57/777962057.db2.gz MKUAAYBFGUFEQZ-MNOVXSKESA-N 0 3 296.371 -1.210 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CCNC2=O)C1)N(C)C ZINC001284925237 777962096 /nfs/dbraw/zinc/96/20/96/777962096.db2.gz MKUAAYBFGUFEQZ-GHMZBOCLSA-N 0 3 296.371 -1.210 20 0 CAADHN NC(=O)C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001284990517 777964793 /nfs/dbraw/zinc/96/47/93/777964793.db2.gz YLXQQDBWVNHOHC-UHFFFAOYSA-N 0 3 268.317 -1.858 20 0 CAADHN CC[C@@H](CNC(=O)CN(C)C(C)C)NC(=O)C(N)=O ZINC001285063373 777966289 /nfs/dbraw/zinc/96/62/89/777966289.db2.gz HXMVQMQXCRDDEW-VIFPVBQESA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001285094495 777966669 /nfs/dbraw/zinc/96/66/69/777966669.db2.gz UMRWYTQXDIHUMD-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN CN(CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)C(N)=O ZINC001285356048 777971386 /nfs/dbraw/zinc/97/13/86/777971386.db2.gz AGDWNZNYTCYCRY-VIFPVBQESA-N 0 3 270.333 -1.517 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001285377419 777972706 /nfs/dbraw/zinc/97/27/06/777972706.db2.gz RVPYFDVZBJXZBE-BDAKNGLRSA-N 0 3 284.360 -1.035 20 0 CAADHN NC(=O)CC(=O)NC/C=C\CNC(=O)CN1CCCC1 ZINC001285509992 777979304 /nfs/dbraw/zinc/97/93/04/777979304.db2.gz BLLVBPZEYKKQPK-UPHRSURJSA-N 0 3 282.344 -1.254 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001285637634 777981908 /nfs/dbraw/zinc/98/19/08/777981908.db2.gz RTSKGZPGENVGTH-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)C(N)=O)N(C)C ZINC001285878278 777990347 /nfs/dbraw/zinc/99/03/47/777990347.db2.gz DKBOVFZJOMIQTQ-DTWKUNHWSA-N 0 3 270.333 -1.471 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)CC(N)=O ZINC001285844402 777990618 /nfs/dbraw/zinc/99/06/18/777990618.db2.gz ODIDKMFQDUOFIF-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@H](C(=O)NC[C@H]1CCN1C(=O)C(N)=O)N(C)C ZINC001285878280 777990687 /nfs/dbraw/zinc/99/06/87/777990687.db2.gz DKBOVFZJOMIQTQ-RKDXNWHRSA-N 0 3 270.333 -1.471 20 0 CAADHN CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)C(N)=O)N(C)C ZINC001285878277 777990935 /nfs/dbraw/zinc/99/09/35/777990935.db2.gz DKBOVFZJOMIQTQ-BDAKNGLRSA-N 0 3 270.333 -1.471 20 0 CAADHN CC[C@H](C(=O)NCC1(NC(=O)C(N)=O)CC1)N(C)C ZINC001285942477 777994770 /nfs/dbraw/zinc/99/47/70/777994770.db2.gz ZLLVTCQPZFRUSY-MRVPVSSYSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(C)N(C)CC(=O)N(C)C[C@@H](C)NC(=O)C(N)=O ZINC001287637729 778002995 /nfs/dbraw/zinc/00/29/95/778002995.db2.gz KZMKYTWOVKPDDX-SECBINFHSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@H](CN(C)C(=O)C(N)=O)NC(=O)CN1CCC[C@H]1C ZINC001287708121 778004446 /nfs/dbraw/zinc/00/44/46/778004446.db2.gz ZTCIJVPNQAZUQG-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](CO)CNC(=O)C(N)=O ZINC001287832825 778011561 /nfs/dbraw/zinc/01/15/61/778011561.db2.gz IXNIQHKWYQNJQX-MRVPVSSYSA-N 0 3 274.321 -2.595 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC001287951419 778015103 /nfs/dbraw/zinc/01/51/03/778015103.db2.gz RVMZJOWICHEWMS-NXEZZACHSA-N 0 3 284.360 -1.083 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001292579542 778041009 /nfs/dbraw/zinc/04/10/09/778041009.db2.gz NQUUVUCPMVPCPN-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(C)N1CCCC[C@H]1C(=O)NCCNC(=O)C(N)=O ZINC001292737210 778046524 /nfs/dbraw/zinc/04/65/24/778046524.db2.gz RZSYAKDIDGWEKA-JTQLQIEISA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H]1CC[C@H](C)N1CC(=O)NCCNC(=O)C(N)=O ZINC001292857244 778048982 /nfs/dbraw/zinc/04/89/82/778048982.db2.gz KMMJRSKSVWOXNG-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001293027642 778052044 /nfs/dbraw/zinc/05/20/44/778052044.db2.gz JFVDCRWAQJWKEL-SECBINFHSA-N 0 3 294.315 -1.826 20 0 CAADHN CC1(C)CCN(CC(=O)NCCNC(=O)C(N)=O)C1 ZINC001293072489 778053637 /nfs/dbraw/zinc/05/36/37/778053637.db2.gz WNQAWPOPUAMDDG-UHFFFAOYSA-N 0 3 270.333 -1.564 20 0 CAADHN CCN(CC)CC(=O)N1CCCN(C(=O)C(N)=O)CC1 ZINC001293730412 778060521 /nfs/dbraw/zinc/06/05/21/778060521.db2.gz CXWBJQKCQUGFSP-UHFFFAOYSA-N 0 3 284.360 -1.126 20 0 CAADHN CCCN(CCN(C)C)C(=O)[C@H](CO)NC(N)=O ZINC001293932975 778062676 /nfs/dbraw/zinc/06/26/76/778062676.db2.gz MWAWKKBMOOMLRY-VIFPVBQESA-N 0 3 260.338 -1.184 20 0 CAADHN CC[C@H](C(=O)N(C)CCCNC(=O)C(N)=O)N(C)C ZINC001294283934 778065586 /nfs/dbraw/zinc/06/55/86/778065586.db2.gz QZNXQOZBSZYZCQ-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001294911902 778069145 /nfs/dbraw/zinc/06/91/45/778069145.db2.gz AOVCBRVRNYFGDM-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](NC(=O)C(N)=O)C1CC1 ZINC001294911901 778069384 /nfs/dbraw/zinc/06/93/84/778069384.db2.gz AOVCBRVRNYFGDM-JTQLQIEISA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)CC(N)=O)C2)C1 ZINC001295075579 778071716 /nfs/dbraw/zinc/07/17/16/778071716.db2.gz FOVMCERXPZUVIW-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)CC(N)=O)C2)C1 ZINC001295186321 778074348 /nfs/dbraw/zinc/07/43/48/778074348.db2.gz KWPIJYZTJUXILN-MXWKQRLJSA-N 0 3 296.371 -1.033 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)CC(N)=O)C1 ZINC001295185752 778074591 /nfs/dbraw/zinc/07/45/91/778074591.db2.gz AVIDEMCKVNQNQP-AOOOYVTPSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001295333669 778075574 /nfs/dbraw/zinc/07/55/74/778075574.db2.gz YFLLNLRDGKLVBK-MSRIBSCDSA-N 0 3 296.371 -1.223 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21)N(C)C ZINC001295347534 778076416 /nfs/dbraw/zinc/07/64/16/778076416.db2.gz BMJGDQJROZVSDR-ZDCRXTMVSA-N 0 3 296.371 -1.369 20 0 CAADHN CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](C)NC(=O)C(N)=O ZINC001295488887 778080321 /nfs/dbraw/zinc/08/03/21/778080321.db2.gz MBFCGPOUQMLIEA-NXEZZACHSA-N 0 3 284.360 -1.035 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](C)NC(=O)C(N)=O)N(C)C ZINC001295573630 778081282 /nfs/dbraw/zinc/08/12/82/778081282.db2.gz BYJDDRDEKMXBDF-YUMQZZPRSA-N 0 3 258.322 -1.567 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](C)NC(=O)C(N)=O ZINC001295586879 778081691 /nfs/dbraw/zinc/08/16/91/778081691.db2.gz KMYOMTIUHCSGHT-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN CCN(CC)CC(=O)N[C@H](C)CNC(=O)C(N)=O ZINC001295634015 778084197 /nfs/dbraw/zinc/08/41/97/778084197.db2.gz PDTNAWMFDGPFEU-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001295725383 778086274 /nfs/dbraw/zinc/08/62/74/778086274.db2.gz NIMHZUMGCSVPIJ-JTQLQIEISA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001295759107 778086722 /nfs/dbraw/zinc/08/67/22/778086722.db2.gz OHPPBGPMVUYPNJ-QWRGUYRKSA-N 0 3 296.371 -1.222 20 0 CAADHN CCCN(C)CC(=O)NCCN(CC)C(=O)C(N)=O ZINC001296350641 778095241 /nfs/dbraw/zinc/09/52/41/778095241.db2.gz QRKBDVZGNCCCGU-UHFFFAOYSA-N 0 3 272.349 -1.222 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)CC(N)=O)C1)N(C)C ZINC001297023252 778103312 /nfs/dbraw/zinc/10/33/12/778103312.db2.gz ZELKUKCFTOERLO-SECBINFHSA-N 0 3 270.333 -1.471 20 0 CAADHN CC(C)[C@H](C(=O)NC1CN(C(=O)C(N)=O)C1)N(C)C ZINC001297137892 778105387 /nfs/dbraw/zinc/10/53/87/778105387.db2.gz UZIRNIJBALTQDS-SECBINFHSA-N 0 3 270.333 -1.615 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)Cc1nnc(N)s1 ZINC001297516856 778110990 /nfs/dbraw/zinc/11/09/90/778110990.db2.gz MEMAOIOCSJAYPM-ZCFIWIBFSA-N 0 3 259.335 -1.299 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001297516820 778111117 /nfs/dbraw/zinc/11/11/17/778111117.db2.gz LFSSNARKPGILKM-HTQZYQBOSA-N 0 3 272.305 -1.987 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001297516823 778111258 /nfs/dbraw/zinc/11/12/58/778111258.db2.gz LFSSNARKPGILKM-YUMQZZPRSA-N 0 3 272.305 -1.987 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)Cc1nnc(N)s1 ZINC001297516855 778111282 /nfs/dbraw/zinc/11/12/82/778111282.db2.gz MEMAOIOCSJAYPM-LURJTMIESA-N 0 3 259.335 -1.299 20 0 CAADHN CC[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)C(N)=O)N(C)C ZINC001297698944 778111867 /nfs/dbraw/zinc/11/18/67/778111867.db2.gz CNCIJRMICXSBNR-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(CCN(C)C(=O)C(N)=O)C(=O)CN1CCCC1 ZINC001298074449 778114120 /nfs/dbraw/zinc/11/41/20/778114120.db2.gz RSUSGYVRPXTHMA-UHFFFAOYSA-N 0 3 270.333 -1.516 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNC(=O)C(N)=O)N(C)C ZINC001298194566 778117923 /nfs/dbraw/zinc/11/79/23/778117923.db2.gz CUIZXAGOXAZOOC-HTQZYQBOSA-N 0 3 274.321 -2.595 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)C(N)=O ZINC001298310757 778120174 /nfs/dbraw/zinc/12/01/74/778120174.db2.gz IIMMBVWUFSPIBJ-PKRMOACSSA-N 0 3 268.317 -1.646 20 0 CAADHN CN(C)C1(C(=O)NC/C=C/CNC(=O)C(N)=O)CCC1 ZINC001298441117 778121068 /nfs/dbraw/zinc/12/10/68/778121068.db2.gz AGAWNWFXYBAFJN-ONEGZZNKSA-N 0 3 282.344 -1.255 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H](CO)CN1CCCC1 ZINC001298751720 778125264 /nfs/dbraw/zinc/12/52/64/778125264.db2.gz NKQXJJYFYLBNLN-ZJUUUORDSA-N 0 3 298.343 -1.453 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](C)CNC(=O)C(N)=O ZINC001298833914 778125895 /nfs/dbraw/zinc/12/58/95/778125895.db2.gz UDFKFMKXNRTJPI-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@@H]1CCN1C(=O)CC(N)=O ZINC001299071004 778129289 /nfs/dbraw/zinc/12/92/89/778129289.db2.gz KOVCKXMVTDICFP-VIFPVBQESA-N 0 3 293.327 -1.147 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2(CNC(=O)CC(N)=O)CC2)C1 ZINC001299135690 778129830 /nfs/dbraw/zinc/12/98/30/778129830.db2.gz APRQYVZATFKPFN-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN CN(CCNC(=O)Cn1cnc(N)n1)CCOCCO ZINC001303016027 778138654 /nfs/dbraw/zinc/13/86/54/778138654.db2.gz NCROGSDBSPCRAG-UHFFFAOYSA-N 0 3 286.336 -2.083 20 0 CAADHN CN(CCNC(=O)c1cc(CO)on1)CCOCCO ZINC001303015375 778138945 /nfs/dbraw/zinc/13/89/45/778138945.db2.gz JNVSAIKENVEYGS-UHFFFAOYSA-N 0 3 287.316 -1.163 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001304086092 778143182 /nfs/dbraw/zinc/14/31/82/778143182.db2.gz VSKCHBAEHWNCIX-APPZFPTMSA-N 0 3 282.300 -1.826 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CC(N[C@H]2CCOC2)C1 ZINC001304086093 778143356 /nfs/dbraw/zinc/14/33/56/778143356.db2.gz VSKCHBAEHWNCIX-CBAPKCEASA-N 0 3 282.300 -1.826 20 0 CAADHN O=C(CCn1cnnn1)N1CC(N[C@@H]2CCOC2)C1 ZINC001304086147 778143546 /nfs/dbraw/zinc/14/35/46/778143546.db2.gz WMGBWNYXRIVFAA-SECBINFHSA-N 0 3 266.305 -1.348 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCc1nnc2n1CCC2 ZINC001116982272 779520496 /nfs/dbraw/zinc/52/04/96/779520496.db2.gz CVLIGFYHLPKLOV-UHFFFAOYSA-N 0 3 294.359 -1.140 20 0 CAADHN CN(CCNC(=O)C(=O)N(C)[C@@H]1CCNC1=O)C1CC1 ZINC001117126460 779525180 /nfs/dbraw/zinc/52/51/80/779525180.db2.gz QLBXTSIDMQMAFC-SNVBAGLBSA-N 0 3 282.344 -1.456 20 0 CAADHN NC(=O)[C@@]1(O)CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001117128735 779526217 /nfs/dbraw/zinc/52/62/17/779526217.db2.gz IEZYIKNFMINLDJ-NTZNESFSSA-N 0 3 269.345 -1.228 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001117287206 779528411 /nfs/dbraw/zinc/52/84/11/779528411.db2.gz HSMSMSFCDGDRRP-VIFPVBQESA-N 0 3 270.333 -1.647 20 0 CAADHN CNS(=O)(=O)CCNC(=O)C(=O)N(C)CCN(C)C ZINC001117351942 779532081 /nfs/dbraw/zinc/53/20/81/779532081.db2.gz MQBZNKTXQXSMDO-UHFFFAOYSA-N 0 3 294.377 -2.328 20 0 CAADHN O=C1NC(=O)[C@@]2(CCCN(CCN3CCNC3=O)C2)N1 ZINC001117548457 779538170 /nfs/dbraw/zinc/53/81/70/779538170.db2.gz SABKKAJMHRDFFU-LBPRGKRZSA-N 0 3 281.316 -1.314 20 0 CAADHN CN(CCNC(=O)C(=O)Nc1cnnn1C)C1CC1 ZINC001117635071 779539626 /nfs/dbraw/zinc/53/96/26/779539626.db2.gz MGGOJJGXPPDEPC-UHFFFAOYSA-N 0 3 266.305 -1.036 20 0 CAADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3cnnn3C)[C@@H]2C1 ZINC001117712540 779541748 /nfs/dbraw/zinc/54/17/48/779541748.db2.gz ISOSOQMJJFJGQL-RKDXNWHRSA-N 0 3 278.316 -1.084 20 0 CAADHN CC[C@H](N)C(=O)NCCOCCS(C)(=O)=O ZINC001118135439 779548369 /nfs/dbraw/zinc/54/83/69/779548369.db2.gz OYSUVBVTGQLVNI-QMMMGPOBSA-N 0 3 252.336 -1.099 20 0 CAADHN C[C@@H](N)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC001118134297 779548697 /nfs/dbraw/zinc/54/86/97/779548697.db2.gz MUKGRXWCVQCUFP-APPZFPTMSA-N 0 3 251.290 -1.011 20 0 CAADHN CCOC(=O)[C@H]1CNCCN1C(=O)CNCCOC ZINC001118195062 779552040 /nfs/dbraw/zinc/55/20/40/779552040.db2.gz YDCOVUGFIOPWOP-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN CCOC(=O)[C@@H]1CNCCN1C(=O)CNCCOC ZINC001118195054 779552170 /nfs/dbraw/zinc/55/21/70/779552170.db2.gz YDCOVUGFIOPWOP-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN CSCC[C@@H](N)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001118195600 779552200 /nfs/dbraw/zinc/55/22/00/779552200.db2.gz OPKKFRUNQINLRE-SFYZADRCSA-N 0 3 261.347 -1.221 20 0 CAADHN COCCNC(=O)Cn1cc(NC(=O)[C@H](C)N)cn1 ZINC001118204066 779553021 /nfs/dbraw/zinc/55/30/21/779553021.db2.gz ZJKWBAFHBNRLMC-QMMMGPOBSA-N 0 3 269.305 -1.069 20 0 CAADHN COCCNCC(=O)NCc1cc(C(N)=O)no1 ZINC001118199405 779553163 /nfs/dbraw/zinc/55/31/63/779553163.db2.gz LBJPFIGLRSIIBC-UHFFFAOYSA-N 0 3 256.262 -1.374 20 0 CAADHN CS(=O)(=O)NCCC(=O)NC[C@H]1CNCCO1 ZINC001118226463 779554392 /nfs/dbraw/zinc/55/43/92/779554392.db2.gz ICGSEVAVDLHLEE-MRVPVSSYSA-N 0 3 265.335 -1.970 20 0 CAADHN O=C(CN1CC[C@@H](n2cncn2)C1)N1CCNCC1 ZINC001118263695 779558438 /nfs/dbraw/zinc/55/84/38/779558438.db2.gz KOSRLSQUHKADCB-LLVKDONJSA-N 0 3 264.333 -1.043 20 0 CAADHN C[C@@H]1NCCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001118269649 779558743 /nfs/dbraw/zinc/55/87/43/779558743.db2.gz LGMSGJIXEDDNJA-YUMQZZPRSA-N 0 3 266.305 -1.414 20 0 CAADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2C[C@@H](O)C2)n1 ZINC001118482631 779571168 /nfs/dbraw/zinc/57/11/68/779571168.db2.gz PTQCJBXTHRYHJK-WRXNHJIOSA-N 0 3 267.289 -1.037 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)C(=O)NCCN)CS1(=O)=O ZINC001118545908 779574183 /nfs/dbraw/zinc/57/41/83/779574183.db2.gz JMIOVMZQZKWFNB-JGVFFNPUSA-N 0 3 277.346 -1.857 20 0 CAADHN CC(=O)NC[C@@H]1CN(C[C@@H]2CNCCO2)CCO1 ZINC001118569277 779576738 /nfs/dbraw/zinc/57/67/38/779576738.db2.gz UTDKBSZKCCFPDK-NWDGAFQWSA-N 0 3 257.334 -1.188 20 0 CAADHN O=C(NCCOCCF)C(=O)NC[C@@H]1CNCCO1 ZINC001118591670 779578607 /nfs/dbraw/zinc/57/86/07/779578607.db2.gz OBANMIBXRVINSJ-VIFPVBQESA-N 0 3 277.296 -1.807 20 0 CAADHN CN1CCN(CCCNC(=O)C2(n3cnnn3)CC2)CC1 ZINC001118608595 779579218 /nfs/dbraw/zinc/57/92/18/779579218.db2.gz KFBFUFDEOUMCFD-UHFFFAOYSA-N 0 3 293.375 -1.084 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)NCc2nnn(C)n2)C1 ZINC001118622615 779580007 /nfs/dbraw/zinc/58/00/07/779580007.db2.gz ZWIGXHDKQMEZNW-SECBINFHSA-N 0 3 295.347 -1.573 20 0 CAADHN CC(=O)N1CC[C@@H](NC(=O)C(=O)N2CCCNCC2)C1 ZINC001118825264 779589519 /nfs/dbraw/zinc/58/95/19/779589519.db2.gz YHHYWKGMWVRNNO-LLVKDONJSA-N 0 3 282.344 -1.455 20 0 CAADHN C[C@H](CC(=O)NCCN1CC[C@@H](O)C1)NC(N)=O ZINC001118892441 779594302 /nfs/dbraw/zinc/59/43/02/779594302.db2.gz KKGBODXIYVFPQP-RKDXNWHRSA-N 0 3 258.322 -1.384 20 0 CAADHN CN1CCC[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1=O ZINC001118928999 779598034 /nfs/dbraw/zinc/59/80/34/779598034.db2.gz RXHWBQMLSDDGKX-NXEZZACHSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@@H]1[C@H](NC(=O)C(=O)N(C)CCN)CCS1(=O)=O ZINC001118931690 779598036 /nfs/dbraw/zinc/59/80/36/779598036.db2.gz HMLBXJBDEZMWQZ-HTQZYQBOSA-N 0 3 277.346 -1.905 20 0 CAADHN CN1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1=O ZINC001118929000 779598219 /nfs/dbraw/zinc/59/82/19/779598219.db2.gz RXHWBQMLSDDGKX-UWVGGRQHSA-N 0 3 298.343 -2.172 20 0 CAADHN Cn1cc(CN(CCO)CCO)c(=O)n(C)c1=O ZINC001118942384 779599324 /nfs/dbraw/zinc/59/93/24/779599324.db2.gz QIQPOXZTKLKUIC-UHFFFAOYSA-N 0 3 257.290 -2.129 20 0 CAADHN CC(C)(F)CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001119424568 779614473 /nfs/dbraw/zinc/61/44/73/779614473.db2.gz YWNHHDNPUYOSDC-QMMMGPOBSA-N 0 3 261.297 -1.045 20 0 CAADHN NC(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)O1 ZINC001119240157 779608970 /nfs/dbraw/zinc/60/89/70/779608970.db2.gz ROXDSUCHVMIFFK-BGZDPUMWSA-N 0 3 259.281 -1.083 20 0 CAADHN COC[C@@]1(CO)CCN(CCCS(N)(=O)=O)C1 ZINC001119312690 779611214 /nfs/dbraw/zinc/61/12/14/779611214.db2.gz MBUXXRHLHIFETQ-JTQLQIEISA-N 0 3 266.363 -1.004 20 0 CAADHN CCOC(=O)[C@H]1CNCCN1C(=O)[C@H](CN)OC ZINC001119298000 779611306 /nfs/dbraw/zinc/61/13/06/779611306.db2.gz YOMPBRSYCACBEE-BDAKNGLRSA-N 0 3 259.306 -1.676 20 0 CAADHN CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H](CN)OC ZINC001119298001 779611347 /nfs/dbraw/zinc/61/13/47/779611347.db2.gz YOMPBRSYCACBEE-IUCAKERBSA-N 0 3 259.306 -1.676 20 0 CAADHN CCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1=O ZINC001119424577 779614060 /nfs/dbraw/zinc/61/40/60/779614060.db2.gz ZEWXCEYBUOXLTI-VHSXEESVSA-N 0 3 298.343 -2.172 20 0 CAADHN CCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1=O ZINC001119424576 779614209 /nfs/dbraw/zinc/61/42/09/779614209.db2.gz ZEWXCEYBUOXLTI-UWVGGRQHSA-N 0 3 298.343 -2.172 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)N[C@@H]1COCC[C@H]1O ZINC001119476855 779615886 /nfs/dbraw/zinc/61/58/86/779615886.db2.gz JPFMHEUBZVCFNB-IVZWLZJFSA-N 0 3 259.306 -1.576 20 0 CAADHN COC(=O)[C@@H](F)CNC(=O)C(=O)NCCN(C)C1CC1 ZINC001119589139 779617652 /nfs/dbraw/zinc/61/76/52/779617652.db2.gz SZFAEFVQKKYGDP-VIFPVBQESA-N 0 3 289.307 -1.176 20 0 CAADHN O=C(CCc1cnc[nH]1)NC[C@]1(CO)COCCN1 ZINC001119595647 779618757 /nfs/dbraw/zinc/61/87/57/779618757.db2.gz DMNRLDMBIIAXJP-LBPRGKRZSA-N 0 3 268.317 -1.191 20 0 CAADHN CN1CCN(CCCCN2C(=O)N[C@@H](CO)C2=O)CC1 ZINC001119626658 779621068 /nfs/dbraw/zinc/62/10/68/779621068.db2.gz CKKUSHAUCIWURB-NSHDSACASA-N 0 3 284.360 -1.073 20 0 CAADHN CCN1CCN(CCC(=O)NCCNC(N)=O)CC1 ZINC001119636082 779621214 /nfs/dbraw/zinc/62/12/14/779621214.db2.gz YGMCVHAXPORJHM-UHFFFAOYSA-N 0 3 271.365 -1.202 20 0 CAADHN Cc1conc1NC(=O)C(=O)N1CCNCCNCC1 ZINC001119640440 779621231 /nfs/dbraw/zinc/62/12/31/779621231.db2.gz LUVPLYYCSMOEBZ-UHFFFAOYSA-N 0 3 281.316 -1.057 20 0 CAADHN CC(C)(O)C1CN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001119703378 779624140 /nfs/dbraw/zinc/62/41/40/779624140.db2.gz PCMDYKZCESIWBC-UHFFFAOYSA-N 0 3 298.387 -1.763 20 0 CAADHN C[C@@H](O)[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001119703131 779624146 /nfs/dbraw/zinc/62/41/46/779624146.db2.gz KBJZXUVDAGVWPX-VXGBXAGGSA-N 0 3 298.387 -1.763 20 0 CAADHN C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001119702881 779624160 /nfs/dbraw/zinc/62/41/60/779624160.db2.gz DAZPHMBHHROZDQ-NEPJUHHUSA-N 0 3 298.387 -1.763 20 0 CAADHN CN(C[C@H]1CCOC1)C(=O)C(=O)N1CCNCCNCC1 ZINC001119703421 779624420 /nfs/dbraw/zinc/62/44/20/779624420.db2.gz QLVWEFWYZOCSSV-GFCCVEGCSA-N 0 3 298.387 -1.497 20 0 CAADHN CN(C(=O)C(=O)N1CCNCCNCC1)C1CC(O)C1 ZINC001119704087 779624606 /nfs/dbraw/zinc/62/46/06/779624606.db2.gz ZBXQDRVGNHAQKT-UHFFFAOYSA-N 0 3 284.360 -2.011 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(Cc2cn(C)nn2)C1=O ZINC001119691083 779624749 /nfs/dbraw/zinc/62/47/49/779624749.db2.gz XNFVXSVSNXGVOM-MRVPVSSYSA-N 0 3 252.278 -1.203 20 0 CAADHN CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCNCCNCC1 ZINC001119704292 779624846 /nfs/dbraw/zinc/62/48/46/779624846.db2.gz DQETWBRHGRKSFP-UHFFFAOYSA-N 0 3 294.359 -1.611 20 0 CAADHN CNC(=O)NC(=O)CN1CCN(C)CCN(C)CC1 ZINC001119881593 779628318 /nfs/dbraw/zinc/62/83/18/779628318.db2.gz CMLIOGVLGBOPCG-UHFFFAOYSA-N 0 3 271.365 -1.379 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCCc1nnnn1C ZINC001119876620 779628592 /nfs/dbraw/zinc/62/85/92/779628592.db2.gz AZWJJOMRYHZCED-UHFFFAOYSA-N 0 3 297.363 -1.721 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CCCc2nnnn2C)C1=O ZINC001120000749 779631535 /nfs/dbraw/zinc/63/15/35/779631535.db2.gz DJSWHUAZSMEXQA-QMMMGPOBSA-N 0 3 281.320 -1.375 20 0 CAADHN CC1(O)CCC(NC(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC001120438217 779636625 /nfs/dbraw/zinc/63/66/25/779636625.db2.gz MZAPLWWGPLCVGA-CVZZAPKMSA-N 0 3 299.371 -1.099 20 0 CAADHN O=C1NCCC[C@@H]1NC[C@@H](O)C[C@@]1(O)CCOC1 ZINC001120491967 779638603 /nfs/dbraw/zinc/63/86/03/779638603.db2.gz GPKIKSBBTISJCA-NHCYSSNCSA-N 0 3 258.318 -1.243 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001122680598 779674668 /nfs/dbraw/zinc/67/46/68/779674668.db2.gz WEQHPBKEYLKRLR-MRVPVSSYSA-N 0 3 258.322 -1.695 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001122680628 779674784 /nfs/dbraw/zinc/67/47/84/779674784.db2.gz WXKWEBCAMMMQKN-SECBINFHSA-N 0 3 256.306 -1.941 20 0 CAADHN CC[C@@H](NCCNC(=O)C1=COCCO1)C(N)=O ZINC001123031300 779677082 /nfs/dbraw/zinc/67/70/82/779677082.db2.gz CUOFCPHZVRTSNE-MRVPVSSYSA-N 0 3 257.290 -1.156 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)[C@@H](C)CN1 ZINC001121931625 779652604 /nfs/dbraw/zinc/65/26/04/779652604.db2.gz PJHXOFPZGKSZHA-ZJUUUORDSA-N 0 3 254.334 -1.373 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCC(=O)OCC1CC1 ZINC001121947738 779653825 /nfs/dbraw/zinc/65/38/25/779653825.db2.gz SIYAUEYIBRFZLW-SNVBAGLBSA-N 0 3 255.318 -1.041 20 0 CAADHN CN1CCNC[C@H]1C(=O)NC1(C(N)=O)CCCC1 ZINC001121959911 779653951 /nfs/dbraw/zinc/65/39/51/779653951.db2.gz NNACTENVJFOGBI-VIFPVBQESA-N 0 3 254.334 -1.196 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NC1(C(N)=O)CCCC1 ZINC001121959910 779654293 /nfs/dbraw/zinc/65/42/93/779654293.db2.gz NNACTENVJFOGBI-SECBINFHSA-N 0 3 254.334 -1.196 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)[C@@H](N)C(C)(C)O ZINC001121997821 779655343 /nfs/dbraw/zinc/65/53/43/779655343.db2.gz IXFWLQSBOCOXGP-NXEZZACHSA-N 0 3 259.350 -1.079 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2COC3(CNC3)C2)c1=O ZINC001122064062 779656316 /nfs/dbraw/zinc/65/63/16/779656316.db2.gz RWWYJBZPRWFZKH-QMMMGPOBSA-N 0 3 267.289 -2.171 20 0 CAADHN COC(=O)NCCC(=O)N[C@@H]1COC2(CNC2)C1 ZINC001122063535 779656514 /nfs/dbraw/zinc/65/65/14/779656514.db2.gz MIYNVSGPDCMBGM-QMMMGPOBSA-N 0 3 257.290 -1.020 20 0 CAADHN CN1C(=O)CN(CC(=O)N[C@H]2COC3(CNC3)C2)C1=O ZINC001122104729 779658824 /nfs/dbraw/zinc/65/88/24/779658824.db2.gz JFIDHTRZINWUPQ-MRVPVSSYSA-N 0 3 282.300 -1.873 20 0 CAADHN O=C(CN1CCOC1=O)N[C@H]1COC2(CNC2)C1 ZINC001122143352 779659409 /nfs/dbraw/zinc/65/94/09/779659409.db2.gz KDPCZMOJQPEWHC-MRVPVSSYSA-N 0 3 255.274 -1.314 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2COC3(CNC3)C2)CC1=O ZINC001122141937 779659584 /nfs/dbraw/zinc/65/95/84/779659584.db2.gz HFISUUDTKSFANJ-IUCAKERBSA-N 0 3 253.302 -1.288 20 0 CAADHN CN[C@H](C(=O)NC[C@@H]1COCCN1)c1cnn(C)c1 ZINC001122172225 779659882 /nfs/dbraw/zinc/65/98/82/779659882.db2.gz UQHJGJWGIIPHPA-MNOVXSKESA-N 0 3 267.333 -1.215 20 0 CAADHN CN[C@@H](C(=O)NC[C@@H]1COCCN1)c1cnn(C)c1 ZINC001122172222 779660014 /nfs/dbraw/zinc/66/00/14/779660014.db2.gz UQHJGJWGIIPHPA-GHMZBOCLSA-N 0 3 267.333 -1.215 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001122181518 779661013 /nfs/dbraw/zinc/66/10/13/779661013.db2.gz KJKGCWZFJXQFLO-BBBLOLIVSA-N 0 3 253.302 -1.479 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCNCC(=O)NCC ZINC001149095210 779663060 /nfs/dbraw/zinc/66/30/60/779663060.db2.gz WBLOFQDKGAVESP-SECBINFHSA-N 0 3 287.364 -1.335 20 0 CAADHN COCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001122317205 779664032 /nfs/dbraw/zinc/66/40/32/779664032.db2.gz SYCAPFYHWLPAOY-SNVBAGLBSA-N 0 3 273.333 -1.366 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)COC ZINC001122317264 779664114 /nfs/dbraw/zinc/66/41/14/779664114.db2.gz WDVSWBGJXXGNDK-UHFFFAOYSA-N 0 3 261.322 -1.509 20 0 CAADHN COCC(=O)NCCNCC(=O)N1CCOC[C@H]1C1CC1 ZINC001122323649 779664123 /nfs/dbraw/zinc/66/41/23/779664123.db2.gz QYPBRGUVWZNIAM-LBPRGKRZSA-N 0 3 299.371 -1.024 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)COC ZINC001122331156 779664177 /nfs/dbraw/zinc/66/41/77/779664177.db2.gz SQPYBLQOXVOBEQ-UHFFFAOYSA-N 0 3 267.351 -1.722 20 0 CAADHN COCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001122323321 779664311 /nfs/dbraw/zinc/66/43/11/779664311.db2.gz NYRKUNOOUPHZIU-UHFFFAOYSA-N 0 3 279.362 -1.626 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)COC ZINC001122316599 779664363 /nfs/dbraw/zinc/66/43/63/779664363.db2.gz KZRBQFYACQSQRU-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN COCC(=O)NCCNCCNS(C)(=O)=O ZINC001122331161 779664469 /nfs/dbraw/zinc/66/44/69/779664469.db2.gz SUJQLLGJVVFLJQ-UHFFFAOYSA-N 0 3 253.324 -2.112 20 0 CAADHN CCC(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 ZINC001122353492 779665398 /nfs/dbraw/zinc/66/53/98/779665398.db2.gz VDGVEYQJDULNCG-UHFFFAOYSA-N 0 3 284.360 -1.174 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@H](C)N)C[C@H]1C(=O)OC ZINC001122344609 779665662 /nfs/dbraw/zinc/66/56/62/779665662.db2.gz JVTQNZJJAKQMLS-BIIVOSGPSA-N 0 3 258.274 -1.246 20 0 CAADHN COCC(=O)NCCNCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC001122337931 779665720 /nfs/dbraw/zinc/66/57/20/779665720.db2.gz ULWDHOBIEBCADT-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN O=C(CNCCNC(=O)C(F)F)N1CCOCC1 ZINC001122400513 779667545 /nfs/dbraw/zinc/66/75/45/779667545.db2.gz SZWWAFXQSLKMFR-UHFFFAOYSA-N 0 3 265.260 -1.184 20 0 CAADHN COCCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001122418149 779667648 /nfs/dbraw/zinc/66/76/48/779667648.db2.gz XYSOMQIANUJYSF-ZETCQYMHSA-N 0 3 260.294 -1.688 20 0 CAADHN COCCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001122393049 779667834 /nfs/dbraw/zinc/66/78/34/779667834.db2.gz BBWXPLBPZWMCCB-MRVPVSSYSA-N 0 3 257.290 -1.466 20 0 CAADHN COCCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001122394039 779667852 /nfs/dbraw/zinc/66/78/52/779667852.db2.gz PBUXPRHVXMHRGK-UHFFFAOYSA-N 0 3 273.333 -1.413 20 0 CAADHN Cn1c(=O)cc(CNCCNC(=O)C(F)F)n(C)c1=O ZINC001122432078 779667895 /nfs/dbraw/zinc/66/78/95/779667895.db2.gz GEEFWSDWLFYXHZ-UHFFFAOYSA-N 0 3 290.270 -1.445 20 0 CAADHN CCC(=O)NCCNCC(=O)NC(=O)N[C@@H](C)COC ZINC001122388193 779668035 /nfs/dbraw/zinc/66/80/35/779668035.db2.gz PLCYYPYLCIVYDZ-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN NC(=O)[C@@H]1CCCN(C(=O)CNCCNC(=O)C2CC2)C1 ZINC001122450288 779668680 /nfs/dbraw/zinc/66/86/80/779668680.db2.gz ZFGYAOGQAGOUCS-LLVKDONJSA-N 0 3 296.371 -1.174 20 0 CAADHN CC[C@@H](N)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)OC ZINC001122446877 779668902 /nfs/dbraw/zinc/66/89/02/779668902.db2.gz VYRUXYHSQFPVCI-SFYZADRCSA-N 0 3 257.290 -1.434 20 0 CAADHN CC(C)(F)C(=O)NCCNCCNS(C)(=O)=O ZINC001122517112 779670488 /nfs/dbraw/zinc/67/04/88/779670488.db2.gz MWDOOHQOSWFHAO-UHFFFAOYSA-N 0 3 269.342 -1.011 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C(C)(C)F ZINC001122510093 779671178 /nfs/dbraw/zinc/67/11/78/779671178.db2.gz GMMAHWCZSLVADW-UHFFFAOYSA-N 0 3 262.285 -1.104 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001122668278 779673266 /nfs/dbraw/zinc/67/32/66/779673266.db2.gz YXEFQHOZVPHOFQ-UHFFFAOYSA-N 0 3 286.332 -2.313 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001122667977 779673576 /nfs/dbraw/zinc/67/35/76/779673576.db2.gz PVBGBIJRGWNWCI-UHFFFAOYSA-N 0 3 284.360 -1.113 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)CNC(C)=O ZINC001122667435 779673734 /nfs/dbraw/zinc/67/37/34/779673734.db2.gz FNWBGIUCZLMEDJ-UHFFFAOYSA-N 0 3 272.349 -1.303 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)CNC(C)=O ZINC001122667367 779673835 /nfs/dbraw/zinc/67/38/35/779673835.db2.gz BRALRURZHLHKHT-UHFFFAOYSA-N 0 3 287.320 -2.326 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)CNC(C)=O ZINC001122680238 779674565 /nfs/dbraw/zinc/67/45/65/779674565.db2.gz TXPVMMFOPKGPFK-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001122675357 779674355 /nfs/dbraw/zinc/67/43/55/779674355.db2.gz NJEFWHFKQJTPHI-LBPRGKRZSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)NCC(=O)NCCNCCNS(C)(=O)=O ZINC001122680579 779674459 /nfs/dbraw/zinc/67/44/59/779674459.db2.gz VRSIXGLGWRXFOC-UHFFFAOYSA-N 0 3 280.350 -2.623 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001122675191 779674524 /nfs/dbraw/zinc/67/45/24/779674524.db2.gz LDUDIODVBUQKNY-SECBINFHSA-N 0 3 256.306 -1.893 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001122680614 779674533 /nfs/dbraw/zinc/67/45/33/779674533.db2.gz WRRFDHNEZDJEMU-MRVPVSSYSA-N 0 3 270.333 -1.505 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001122680700 779674608 /nfs/dbraw/zinc/67/46/08/779674608.db2.gz XZTDNYRDQBGECC-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001122679219 779674741 /nfs/dbraw/zinc/67/47/41/779674741.db2.gz IKJCWHKMHCGCBB-LURJTMIESA-N 0 3 273.293 -2.588 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001122680699 779674859 /nfs/dbraw/zinc/67/48/59/779674859.db2.gz XZTDNYRDQBGECC-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccco1 ZINC001122692687 779674909 /nfs/dbraw/zinc/67/49/09/779674909.db2.gz JIWISIHKMWVBKB-UHFFFAOYSA-N 0 3 254.246 -1.206 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnc(C)cn1 ZINC001122922141 779675485 /nfs/dbraw/zinc/67/54/85/779675485.db2.gz WYQCLWRRLMMAON-UHFFFAOYSA-N 0 3 294.315 -1.440 20 0 CAADHN Cc1cnc(C(=O)NCCN[C@H](C)C(N)=O)cn1 ZINC001122921599 779675675 /nfs/dbraw/zinc/67/56/75/779675675.db2.gz HEDNWFPWTYEZPG-MRVPVSSYSA-N 0 3 251.290 -1.022 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cnccn1 ZINC001122827577 779675986 /nfs/dbraw/zinc/67/59/86/779675986.db2.gz VGYRWZBZTZYRKP-UHFFFAOYSA-N 0 3 266.261 -2.009 20 0 CAADHN Cc1cnc(C(=O)NCCN[C@H]2CCNC2=O)cn1 ZINC001122921502 779676024 /nfs/dbraw/zinc/67/60/24/779676024.db2.gz BXHJSTPOOBDHDL-VIFPVBQESA-N 0 3 263.301 -1.007 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnccn1 ZINC001122832547 779676036 /nfs/dbraw/zinc/67/60/36/779676036.db2.gz BBZSBHRXIFVFRY-QMMMGPOBSA-N 0 3 251.290 -1.070 20 0 CAADHN CCOCC(=O)NCCNCC(=O)NCCCOC ZINC001122966288 779676713 /nfs/dbraw/zinc/67/67/13/779676713.db2.gz QJGADOGGONACPG-UHFFFAOYSA-N 0 3 275.349 -1.119 20 0 CAADHN CCOCC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001122978648 779676729 /nfs/dbraw/zinc/67/67/29/779676729.db2.gz MTWVVHNIGKSKBP-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@H](NCCNC(=O)C1=COCCO1)C(=O)NC(N)=O ZINC001123032057 779676775 /nfs/dbraw/zinc/67/67/75/779676775.db2.gz MTFFFJLSVYYZFC-ZETCQYMHSA-N 0 3 286.288 -1.836 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)C1=COCCO1 ZINC001123026243 779676784 /nfs/dbraw/zinc/67/67/84/779676784.db2.gz DYPCUSIJCATMEW-MRVPVSSYSA-N 0 3 283.284 -1.614 20 0 CAADHN CCOCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001122965360 779676893 /nfs/dbraw/zinc/67/68/93/779676893.db2.gz HFUSWJKLHKPBLF-UHFFFAOYSA-N 0 3 273.333 -1.413 20 0 CAADHN CCOCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001122979507 779676928 /nfs/dbraw/zinc/67/69/28/779676928.db2.gz WUYAFEHIYIPKOS-LLVKDONJSA-N 0 3 287.360 -1.119 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)C1=COCCO1 ZINC001123026235 779676964 /nfs/dbraw/zinc/67/69/64/779676964.db2.gz DPYGRJDOYUFNJM-SECBINFHSA-N 0 3 269.301 -1.141 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)C1=COCCO1 ZINC001123032982 779677009 /nfs/dbraw/zinc/67/70/09/779677009.db2.gz SBMACNOPTQZKGU-UHFFFAOYSA-N 0 3 293.345 -1.870 20 0 CAADHN CCOCC(=O)NCCNCC(=O)NC(=O)NC ZINC001122964966 779677067 /nfs/dbraw/zinc/67/70/67/779677067.db2.gz ALLXFBBRTDAVQD-UHFFFAOYSA-N 0 3 260.294 -1.816 20 0 CAADHN CCOCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001122965973 779677201 /nfs/dbraw/zinc/67/72/01/779677201.db2.gz MXRZCBCGSUHDTR-UHFFFAOYSA-N 0 3 286.332 -1.283 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)c1cc[n+]([O-])cc1 ZINC001123040392 779677847 /nfs/dbraw/zinc/67/78/47/779677847.db2.gz NFFJIHVBRJVWEQ-NSHDSACASA-N 0 3 278.312 -1.082 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001123072296 779677975 /nfs/dbraw/zinc/67/79/75/779677975.db2.gz MKCWDNARWLNURP-VIFPVBQESA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](C)NC(C)=O ZINC001123072401 779678005 /nfs/dbraw/zinc/67/80/05/779678005.db2.gz OXDNFTILNORWPX-ZETCQYMHSA-N 0 3 287.320 -2.328 20 0 CAADHN CSCC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001123166979 779682170 /nfs/dbraw/zinc/68/21/70/779682170.db2.gz ZOTLZCYQCGTBOU-UHFFFAOYSA-N 0 3 283.419 -1.053 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCO1)C(=O)NC(N)=O ZINC001123157760 779680385 /nfs/dbraw/zinc/68/03/85/779680385.db2.gz HOVDUWSNJXCFOG-YUMQZZPRSA-N 0 3 272.305 -1.545 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)c1ccc(=O)[nH]n1 ZINC001123095023 779680390 /nfs/dbraw/zinc/68/03/90/779680390.db2.gz ANAXTUYSEPEGSO-MRVPVSSYSA-N 0 3 279.300 -1.220 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCCO1 ZINC001123127832 779680417 /nfs/dbraw/zinc/68/04/17/779680417.db2.gz PSRSIGMSTGXRKH-SNVBAGLBSA-N 0 3 293.389 -1.190 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccc(=O)[nH]n1 ZINC001123097071 779680455 /nfs/dbraw/zinc/68/04/55/779680455.db2.gz XHMIFZUZJYNSEN-SSDOTTSWSA-N 0 3 267.289 -1.364 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCCO1 ZINC001123126452 779680480 /nfs/dbraw/zinc/68/04/80/779680480.db2.gz CGQRWVMBLCMCKJ-VIFPVBQESA-N 0 3 279.362 -1.580 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCO1 ZINC001123158221 779680490 /nfs/dbraw/zinc/68/04/90/779680490.db2.gz LAWYRHZDKRLMLU-BDAKNGLRSA-N 0 3 286.332 -1.285 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCCO1 ZINC001123127631 779680500 /nfs/dbraw/zinc/68/05/00/779680500.db2.gz PSRSIGMSTGXRKH-JTQLQIEISA-N 0 3 293.389 -1.190 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccc(=O)[nH]n1)C(N)=O ZINC001123095452 779680715 /nfs/dbraw/zinc/68/07/15/779680715.db2.gz LWZGWSIJWBHZJA-ZETCQYMHSA-N 0 3 267.289 -1.235 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001123092505 779680920 /nfs/dbraw/zinc/68/09/20/779680920.db2.gz YVOSWMZSNYNAEQ-RKDXNWHRSA-N 0 3 284.360 -1.116 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1CCCO1 ZINC001123119308 779680972 /nfs/dbraw/zinc/68/09/72/779680972.db2.gz XEDACRUWURHTNC-BDAKNGLRSA-N 0 3 269.301 -1.324 20 0 CAADHN NC(=O)NCC(=O)NCCN[C@H]1CCCNC1=O ZINC001123236006 779682471 /nfs/dbraw/zinc/68/24/71/779682471.db2.gz SYOZGQUCSVNTRF-ZETCQYMHSA-N 0 3 257.294 -2.361 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1CCCO1 ZINC001123119311 779681129 /nfs/dbraw/zinc/68/11/29/779681129.db2.gz XEDACRUWURHTNC-RKDXNWHRSA-N 0 3 269.301 -1.324 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)NCc1ccco1 ZINC001123235771 779681588 /nfs/dbraw/zinc/68/15/88/779681588.db2.gz RCTWFSIRDBKRQA-UHFFFAOYSA-N 0 3 297.315 -1.730 20 0 CAADHN Cc1cc(C(=O)NCCNCC(=O)NC(N)=O)no1 ZINC001123186433 779681604 /nfs/dbraw/zinc/68/16/04/779681604.db2.gz ADAGDVGRTLNAHN-UHFFFAOYSA-N 0 3 269.261 -1.503 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)CNC(N)=O ZINC001123235129 779681804 /nfs/dbraw/zinc/68/18/04/779681804.db2.gz HWCKGTCAYLZIAW-UHFFFAOYSA-N 0 3 273.337 -1.773 20 0 CAADHN NC(=O)NCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001123236005 779681989 /nfs/dbraw/zinc/68/19/89/779681989.db2.gz SYOZGQUCSVNTRF-SSDOTTSWSA-N 0 3 257.294 -2.361 20 0 CAADHN C[C@H]1CCCN(C(=O)CNCCNC(=O)CNC(N)=O)C1 ZINC001123235073 779682390 /nfs/dbraw/zinc/68/23/90/779682390.db2.gz FPBRUOTZEDPMGL-JTQLQIEISA-N 0 3 299.375 -1.381 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)CNC(N)=O ZINC001123236051 779682441 /nfs/dbraw/zinc/68/24/41/779682441.db2.gz VSFFCEVPCOWRBT-UHFFFAOYSA-N 0 3 273.337 -1.723 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)CNC(N)=O ZINC001123235373 779682479 /nfs/dbraw/zinc/68/24/79/779682479.db2.gz LIZKYIKMHLCLDS-MRVPVSSYSA-N 0 3 273.337 -1.725 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)CNC(N)=O ZINC001123235714 779682554 /nfs/dbraw/zinc/68/25/54/779682554.db2.gz PVFRPCUPCMFUHA-UHFFFAOYSA-N 0 3 285.348 -1.771 20 0 CAADHN NC(=O)NCC(=O)NCCNCc1cccnc1 ZINC001123257036 779683008 /nfs/dbraw/zinc/68/30/08/779683008.db2.gz FPWYFDAXQHFJME-UHFFFAOYSA-N 0 3 251.290 -1.044 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)N1CCCC1 ZINC001123257040 779683042 /nfs/dbraw/zinc/68/30/42/779683042.db2.gz FUKUNBBOBQNKRH-UHFFFAOYSA-N 0 3 271.321 -2.017 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(N)=O)C(=O)N(C)C ZINC001123242104 779683535 /nfs/dbraw/zinc/68/35/35/779683535.db2.gz NGRWVCRSSQQLKY-SSDOTTSWSA-N 0 3 259.310 -2.163 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)NC1CCCCC1 ZINC001123256982 779683701 /nfs/dbraw/zinc/68/37/01/779683701.db2.gz CLRNCRDLKNGPOK-UHFFFAOYSA-N 0 3 299.375 -1.191 20 0 CAADHN CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)CNC(N)=O ZINC001123263908 779684416 /nfs/dbraw/zinc/68/44/16/779684416.db2.gz QZIJJRUPWHAJEH-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(N)=O)C(=O)NC1CC1 ZINC001123264469 779684453 /nfs/dbraw/zinc/68/44/53/779684453.db2.gz ZMUBZRQWNQQGEK-SSDOTTSWSA-N 0 3 271.321 -1.972 20 0 CAADHN Cn1nccc1CNCCNC(=O)CNC(N)=O ZINC001123258474 779684801 /nfs/dbraw/zinc/68/48/01/779684801.db2.gz QIMMCMABWLNKKL-UHFFFAOYSA-N 0 3 254.294 -1.706 20 0 CAADHN CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)CNC(N)=O ZINC001123263914 779684876 /nfs/dbraw/zinc/68/48/76/779684876.db2.gz QZIJJRUPWHAJEH-RKDXNWHRSA-N 0 3 287.364 -1.336 20 0 CAADHN CCN(C(=O)CNCCNC(=O)CNC(N)=O)C1CC1 ZINC001123257452 779684930 /nfs/dbraw/zinc/68/49/30/779684930.db2.gz HYXGBAOYDACFHA-UHFFFAOYSA-N 0 3 285.348 -1.629 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NCCNC(=O)CNC(N)=O ZINC001123263140 779685083 /nfs/dbraw/zinc/68/50/83/779685083.db2.gz IKHSYJGLHFRFGS-VIFPVBQESA-N 0 3 287.364 -1.479 20 0 CAADHN COc1cc(CNCCNC(=O)CNC(N)=O)ccn1 ZINC001123258838 779685131 /nfs/dbraw/zinc/68/51/31/779685131.db2.gz VIKUTSNTVKUFQB-UHFFFAOYSA-N 0 3 281.316 -1.036 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NCCNC(=O)CNC(N)=O ZINC001123263139 779685170 /nfs/dbraw/zinc/68/51/70/779685170.db2.gz IKHSYJGLHFRFGS-SECBINFHSA-N 0 3 287.364 -1.479 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123312557 779685511 /nfs/dbraw/zinc/68/55/11/779685511.db2.gz GYGCZFPIZZNQHY-UHFFFAOYSA-N 0 3 270.253 -3.426 20 0 CAADHN COc1ccc(CNCCNC(=O)Cn2cnnn2)cn1 ZINC001123305064 779685826 /nfs/dbraw/zinc/68/58/26/779685826.db2.gz MWKRUTQPSHRDRT-UHFFFAOYSA-N 0 3 291.315 -1.017 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123312810 779685948 /nfs/dbraw/zinc/68/59/48/779685948.db2.gz JBFBEKWUNQYTQR-UHFFFAOYSA-N 0 3 283.336 -1.754 20 0 CAADHN Cn1cc(CNCCNC(=O)Cn2cnnn2)cn1 ZINC001123306705 779686220 /nfs/dbraw/zinc/68/62/20/779686220.db2.gz XROULUMRQDHLLU-UHFFFAOYSA-N 0 3 264.293 -1.687 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123312212 779686293 /nfs/dbraw/zinc/68/62/93/779686293.db2.gz AISHJSATPXSWBH-UHFFFAOYSA-N 0 3 283.336 -1.753 20 0 CAADHN CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123327282 779686934 /nfs/dbraw/zinc/68/69/34/779686934.db2.gz QDZHCLKSBZKSCQ-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123327283 779686968 /nfs/dbraw/zinc/68/69/68/779686968.db2.gz QDZHCLKSBZKSCQ-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN O=C(Cn1cnnn1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123313690 779687077 /nfs/dbraw/zinc/68/70/77/779687077.db2.gz VQSPZXGVYUFMCX-SSDOTTSWSA-N 0 3 281.276 -2.816 20 0 CAADHN CCCC[C@H](NCCNC(=O)Cn1cnnn1)C(N)=O ZINC001123327038 779687099 /nfs/dbraw/zinc/68/70/99/779687099.db2.gz LYAPPPGAWUSZCS-VIFPVBQESA-N 0 3 283.336 -1.577 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123313671 779687139 /nfs/dbraw/zinc/68/71/39/779687139.db2.gz UVWJGAYNRMCMPK-UHFFFAOYSA-N 0 3 269.309 -2.097 20 0 CAADHN CCCC[C@@H](NCCNC(=O)Cn1cnnn1)C(N)=O ZINC001123327037 779687280 /nfs/dbraw/zinc/68/72/80/779687280.db2.gz LYAPPPGAWUSZCS-SECBINFHSA-N 0 3 283.336 -1.577 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123313678 779687359 /nfs/dbraw/zinc/68/73/59/779687359.db2.gz VFEMKAXMSWCRBL-UHFFFAOYSA-N 0 3 283.336 -1.705 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)Cn2cnnn2)C1=O ZINC001123326990 779687446 /nfs/dbraw/zinc/68/74/46/779687446.db2.gz LBCIVYVPNQAZSP-JTQLQIEISA-N 0 3 295.347 -1.612 20 0 CAADHN CCN(CC)C(=O)[C@@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335334 779687870 /nfs/dbraw/zinc/68/78/70/779687870.db2.gz NNXNDKONHAICFA-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1CCCC1=O ZINC001123341240 779687951 /nfs/dbraw/zinc/68/79/51/779687951.db2.gz BZDPBCKSTAWICH-UHFFFAOYSA-N 0 3 270.333 -1.597 20 0 CAADHN CCCCNC(=O)[C@@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335484 779687965 /nfs/dbraw/zinc/68/79/65/779687965.db2.gz TYEYHAHGNNHVGD-SNVBAGLBSA-N 0 3 297.363 -1.316 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1CCCC1=O ZINC001123341525 779688028 /nfs/dbraw/zinc/68/80/28/779688028.db2.gz JDDMCYYCZXIFLT-UHFFFAOYSA-N 0 3 270.333 -1.549 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCCC1=O)C(=O)NC(N)=O ZINC001123348273 779688067 /nfs/dbraw/zinc/68/80/67/779688067.db2.gz SIPGHCFBHOUBDU-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335496 779688120 /nfs/dbraw/zinc/68/81/20/779688120.db2.gz UOXGEUBSSVOMTJ-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN CN(C(=O)CNCCNC(=O)CN1CCCC1=O)C1CC1 ZINC001123335311 779688212 /nfs/dbraw/zinc/68/82/12/779688212.db2.gz MPCXJBWNBJCMQA-UHFFFAOYSA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1cnnn1)C(=O)NC(N)=O ZINC001123335229 779688265 /nfs/dbraw/zinc/68/82/65/779688265.db2.gz ISFXAJDPEJORCE-ZCFIWIBFSA-N 0 3 284.280 -3.038 20 0 CAADHN O=C(CN1CCCC1=O)NCCN[C@@H]1CCCNC1=O ZINC001123341912 779688314 /nfs/dbraw/zinc/68/83/14/779688314.db2.gz SPIKSUVIKDKIOE-SNVBAGLBSA-N 0 3 282.344 -1.407 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335176 779688318 /nfs/dbraw/zinc/68/83/18/779688318.db2.gz GWZWBMBGKKPIEZ-ZETCQYMHSA-N 0 3 298.307 -2.777 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCCC1=O)C(N)=O ZINC001123341561 779688334 /nfs/dbraw/zinc/68/83/34/779688334.db2.gz LIMLKXDPGHYWNL-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CC[C@H](NCCNC(=O)CN1CCCC1=O)C(N)=O ZINC001123348360 779688401 /nfs/dbraw/zinc/68/84/01/779688401.db2.gz WOYUITNWQPXIES-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CN1CCCC1=O ZINC001123341219 779688411 /nfs/dbraw/zinc/68/84/11/779688411.db2.gz BLZMKXJKQMSHAP-UHFFFAOYSA-N 0 3 285.304 -2.491 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1cnnn1)C(=O)NC1CC1 ZINC001123335267 779688459 /nfs/dbraw/zinc/68/84/59/779688459.db2.gz KVBJKUPALILZBL-MRVPVSSYSA-N 0 3 281.320 -1.954 20 0 CAADHN O=C(CN1CCCC1=O)NCCN[C@H]1CCNC1=O ZINC001123342065 779688492 /nfs/dbraw/zinc/68/84/92/779688492.db2.gz ZUZAGTVKZKECIV-VIFPVBQESA-N 0 3 268.317 -1.797 20 0 CAADHN C[C@H](NCCNC(=O)Cn1cnnn1)C(=O)NC(N)=O ZINC001123335228 779688525 /nfs/dbraw/zinc/68/85/25/779688525.db2.gz ISFXAJDPEJORCE-LURJTMIESA-N 0 3 284.280 -3.038 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)on1 ZINC001123439289 779688989 /nfs/dbraw/zinc/68/89/89/779688989.db2.gz CDYSNMUWULEBJL-ZETCQYMHSA-N 0 3 283.288 -1.114 20 0 CAADHN O=C(CNCCNC(=O)Cn1cccn1)NC1CC1 ZINC001123514616 779689029 /nfs/dbraw/zinc/68/90/29/779689029.db2.gz FKGYYPZBAQPYBP-UHFFFAOYSA-N 0 3 265.317 -1.133 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc[nH]1)C(=O)NC(N)=O ZINC001123459832 779689166 /nfs/dbraw/zinc/68/91/66/779689166.db2.gz WDIWVXYOQUXNNL-ZETCQYMHSA-N 0 3 267.289 -1.083 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccoc1 ZINC001123514540 779689222 /nfs/dbraw/zinc/68/92/22/779689222.db2.gz CYRSPVVXGSQLJC-UHFFFAOYSA-N 0 3 254.246 -1.206 20 0 CAADHN CNC(=O)CNCCNC(=O)c1snnc1C ZINC001123373564 779689239 /nfs/dbraw/zinc/68/92/39/779689239.db2.gz AWRBTAPWLMYFIN-UHFFFAOYSA-N 0 3 257.319 -1.088 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001123353941 779689376 /nfs/dbraw/zinc/68/93/76/779689376.db2.gz SQBMYMBSKPBVQQ-UHFFFAOYSA-N 0 3 268.277 -2.066 20 0 CAADHN Cc1noc(C)c1C(=O)NCCNCC(=O)NC(N)=O ZINC001123363857 779689403 /nfs/dbraw/zinc/68/94/03/779689403.db2.gz UTZOZZONHTYNBI-UHFFFAOYSA-N 0 3 283.288 -1.194 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)cn1 ZINC001123353550 779689496 /nfs/dbraw/zinc/68/94/96/779689496.db2.gz JWYAUXGJADNMSX-VIFPVBQESA-N 0 3 279.300 -1.455 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1cnn(C)c1 ZINC001123353780 779689615 /nfs/dbraw/zinc/68/96/15/779689615.db2.gz PWKDMFNKSUQTHM-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cnsn1 ZINC001124154489 779704916 /nfs/dbraw/zinc/70/49/16/779704916.db2.gz LMUDSLCDMKLQGJ-LURJTMIESA-N 0 3 255.303 -1.254 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@@H]1CCNC1=O ZINC001124172416 779705061 /nfs/dbraw/zinc/70/50/61/779705061.db2.gz LSXQBVITXLASPW-SSDOTTSWSA-N 0 3 258.278 -2.063 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149098610 779690194 /nfs/dbraw/zinc/69/01/94/779690194.db2.gz NXMAFFHSNHJMDD-JQWIXIFHSA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(Cn1cccn1)NCCN[C@H]1CCCNC1=O ZINC001123526232 779690208 /nfs/dbraw/zinc/69/02/08/779690208.db2.gz LINQAUOVKRIRIE-JTQLQIEISA-N 0 3 265.317 -1.133 20 0 CAADHN Cc1ccc(C(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001123623810 779690630 /nfs/dbraw/zinc/69/06/30/779690630.db2.gz WABKLNWGOONXSU-UHFFFAOYSA-N 0 3 279.300 -1.096 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)Cn2cccn2)C1=O ZINC001123531680 779691061 /nfs/dbraw/zinc/69/10/61/779691061.db2.gz UVXSDERZBAETCN-SNVBAGLBSA-N 0 3 265.317 -1.180 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn(C)c1C ZINC001123592201 779691083 /nfs/dbraw/zinc/69/10/83/779691083.db2.gz NSSPPKSJHCLBGS-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1cccn1)C(N)=O ZINC001123531005 779691195 /nfs/dbraw/zinc/69/11/95/779691195.db2.gz DLCZHTANBJJOII-SECBINFHSA-N 0 3 253.306 -1.147 20 0 CAADHN Cc1c(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)cnn1C ZINC001123611726 779691220 /nfs/dbraw/zinc/69/12/20/779691220.db2.gz LIHNBTXTPCKXBS-SSDOTTSWSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@H](NCCNC(=O)CCn1cncn1)C(=O)NC(N)=O ZINC001123666671 779691471 /nfs/dbraw/zinc/69/14/71/779691471.db2.gz PVWLQKCBKBSIPY-QMMMGPOBSA-N 0 3 297.319 -2.043 20 0 CAADHN Cn1cccc1C(=O)NCCNCCNS(C)(=O)=O ZINC001123654961 779691743 /nfs/dbraw/zinc/69/17/43/779691743.db2.gz UASWCNQSWQTFDF-UHFFFAOYSA-N 0 3 288.373 -1.106 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccn1C)C(=O)NC(N)=O ZINC001123654620 779691966 /nfs/dbraw/zinc/69/19/66/779691966.db2.gz QIKXDMNWSFKOOF-MRVPVSSYSA-N 0 3 281.316 -1.072 20 0 CAADHN CN(C(=O)CNCCNC(=O)CCn1cncn1)C1CC1 ZINC001123659847 779692015 /nfs/dbraw/zinc/69/20/15/779692015.db2.gz ROHDSEYGOUNXQB-UHFFFAOYSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cccn1C ZINC001123647845 779692036 /nfs/dbraw/zinc/69/20/36/779692036.db2.gz KNDPOSQVSYZSRL-UHFFFAOYSA-N 0 3 281.316 -1.200 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCn1cncn1 ZINC001123675824 779692047 /nfs/dbraw/zinc/69/20/47/779692047.db2.gz CHMDMLWQJIZXTA-VIFPVBQESA-N 0 3 268.321 -1.492 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CCn2cncn2)C1=O ZINC001123676673 779692114 /nfs/dbraw/zinc/69/21/14/779692114.db2.gz UITIETJEACSDFL-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)CCn2cncn2)C1=O ZINC001123671495 779692144 /nfs/dbraw/zinc/69/21/44/779692144.db2.gz RVDKWIMBTLFUPV-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN O=C(CCn1cncn1)NCCN[C@@H]1CCNC1=O ZINC001123660093 779692266 /nfs/dbraw/zinc/69/22/66/779692266.db2.gz URFXPKBOIVHOEB-SECBINFHSA-N 0 3 266.305 -1.738 20 0 CAADHN Cn1cccc1C(=O)NCCNCC(=O)NC(N)=O ZINC001123648263 779692353 /nfs/dbraw/zinc/69/23/53/779692353.db2.gz RJLCAJBAYWDPEH-UHFFFAOYSA-N 0 3 267.289 -1.461 20 0 CAADHN O=C(CCn1cncn1)NCCNCC(=O)N1CCCC1 ZINC001123660080 779692357 /nfs/dbraw/zinc/69/23/57/779692357.db2.gz UJVDHDHALGBYHX-UHFFFAOYSA-N 0 3 294.359 -1.004 20 0 CAADHN O=C(CCn1cccn1)NCCN[C@H]1CCC(=O)NC1=O ZINC001123719032 779692685 /nfs/dbraw/zinc/69/26/85/779692685.db2.gz SJHYFQVDRSSHOB-JTQLQIEISA-N 0 3 293.327 -1.216 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccccc1O ZINC001123758869 779692798 /nfs/dbraw/zinc/69/27/98/779692798.db2.gz QKXJQDIKJDLTJF-UHFFFAOYSA-N 0 3 280.284 -1.094 20 0 CAADHN C[C@H](NCCNC(=O)CCn1cccn1)C(=O)NC(N)=O ZINC001123753155 779693263 /nfs/dbraw/zinc/69/32/63/779693263.db2.gz UDBOXYMJYGGISN-VIFPVBQESA-N 0 3 296.331 -1.438 20 0 CAADHN O=C(CCn1cccn1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123719033 779693411 /nfs/dbraw/zinc/69/34/11/779693411.db2.gz SJHYFQVDRSSHOB-SNVBAGLBSA-N 0 3 293.327 -1.216 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1COCCO1)N1CCCC1 ZINC001123869525 779695279 /nfs/dbraw/zinc/69/52/79/779695279.db2.gz IUWJHICEUWEEIP-LLVKDONJSA-N 0 3 285.344 -1.270 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1COCCO1 ZINC001123870370 779695347 /nfs/dbraw/zinc/69/53/47/779695347.db2.gz RJFUCFHJDQBMBE-NXEZZACHSA-N 0 3 271.317 -1.614 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1COCCO1 ZINC001123868577 779695360 /nfs/dbraw/zinc/69/53/60/779695360.db2.gz AXBSNQYEQJBLMH-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1COCCO1 ZINC001123869664 779695449 /nfs/dbraw/zinc/69/54/49/779695449.db2.gz KHSZGYPIDZHBMF-DTWKUNHWSA-N 0 3 285.300 -2.087 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1COCCO1 ZINC001123870015 779695530 /nfs/dbraw/zinc/69/55/30/779695530.db2.gz MSOAYLVPHFHDLU-VIFPVBQESA-N 0 3 259.306 -1.804 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1COCCO1 ZINC001123870016 779695601 /nfs/dbraw/zinc/69/56/01/779695601.db2.gz MSUMVTSBGYCCIN-LLVKDONJSA-N 0 3 287.360 -1.026 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@@H]2COCCO2)C1=O ZINC001123868575 779695828 /nfs/dbraw/zinc/69/58/28/779695828.db2.gz AVRXHTTXCWZHAG-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1COCCO1 ZINC001123870414 779696794 /nfs/dbraw/zinc/69/67/94/779696794.db2.gz SRAIVXNUPRKMRN-DTWKUNHWSA-N 0 3 257.290 -2.004 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1COCCO1 ZINC001123870460 779696959 /nfs/dbraw/zinc/69/69/59/779696959.db2.gz URQSMHFBVSZASR-QMMMGPOBSA-N 0 3 288.304 -2.437 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1COCCO1 ZINC001123870621 779697027 /nfs/dbraw/zinc/69/70/27/779697027.db2.gz YDDGMSAUNIOZGB-VIFPVBQESA-N 0 3 259.306 -1.756 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CC[C@H]1CCCO1 ZINC001123884248 779697051 /nfs/dbraw/zinc/69/70/51/779697051.db2.gz WZHQSLDCROMDRS-SECBINFHSA-N 0 3 286.332 -1.154 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1COCCO1 ZINC001123878076 779697135 /nfs/dbraw/zinc/69/71/35/779697135.db2.gz YITFDRAFUCCPCF-LLVKDONJSA-N 0 3 287.360 -1.120 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2COCCO2)C1=O ZINC001123877128 779697143 /nfs/dbraw/zinc/69/71/43/779697143.db2.gz PKIUFFWWHLSCKW-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1COCCO1)NC1CC1 ZINC001123870544 779697218 /nfs/dbraw/zinc/69/72/18/779697218.db2.gz WJIHPPCAFMROQC-SNVBAGLBSA-N 0 3 271.317 -1.614 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1COCCO1 ZINC001123870415 779697227 /nfs/dbraw/zinc/69/72/27/779697227.db2.gz SRAIVXNUPRKMRN-IUCAKERBSA-N 0 3 257.290 -2.004 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1COCCO1)N1CCC1 ZINC001123870589 779697235 /nfs/dbraw/zinc/69/72/35/779697235.db2.gz XFTKDDXGAJGXGD-JTQLQIEISA-N 0 3 271.317 -1.660 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccn[nH]1 ZINC001123912216 779698151 /nfs/dbraw/zinc/69/81/51/779698151.db2.gz VDKJJGUCHFPUDW-ZETCQYMHSA-N 0 3 282.304 -1.427 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1COCCO1)C(=O)NC1CC1 ZINC001123890750 779698278 /nfs/dbraw/zinc/69/82/78/779698278.db2.gz BMPYOZWBEFEUBC-MWLCHTKSSA-N 0 3 285.344 -1.225 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1COCCO1)C(=O)NC(N)=O ZINC001123891701 779698296 /nfs/dbraw/zinc/69/82/96/779698296.db2.gz RNHLTQTWIDLTMB-YUMQZZPRSA-N 0 3 288.304 -2.309 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1COCCO1)C(=O)NC1CC1 ZINC001123890751 779698375 /nfs/dbraw/zinc/69/83/75/779698375.db2.gz BMPYOZWBEFEUBC-ONGXEEELSA-N 0 3 285.344 -1.225 20 0 CAADHN O=C(CNCCNC(=O)c1ccn[nH]1)NC[C@H]1CCOC1 ZINC001123903908 779698414 /nfs/dbraw/zinc/69/84/14/779698414.db2.gz CUKDPFUTDCDGHA-SNVBAGLBSA-N 0 3 295.343 -1.118 20 0 CAADHN O=C(CNCCNC(=O)c1ccn[nH]1)NC(=O)NC1CC1 ZINC001123897566 779698567 /nfs/dbraw/zinc/69/85/67/779698567.db2.gz IVXDRWQMYQBDMJ-UHFFFAOYSA-N 0 3 294.315 -1.283 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccn[nH]1)C(=O)NC(N)=O ZINC001123912238 779698611 /nfs/dbraw/zinc/69/86/11/779698611.db2.gz VMJMRQFEWFMSQV-ZCFIWIBFSA-N 0 3 268.277 -1.688 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)n1cccn1 ZINC001123919815 779699027 /nfs/dbraw/zinc/69/90/27/779699027.db2.gz YHUZRCIMTBWARV-QMMMGPOBSA-N 0 3 282.304 -1.655 20 0 CAADHN CCO[C@@H](C)C(=O)NCCNCC(=O)N1CCOCC1 ZINC001123963477 779699293 /nfs/dbraw/zinc/69/92/93/779699293.db2.gz XKNPNAFMGCXXNM-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001123975496 779699342 /nfs/dbraw/zinc/69/93/42/779699342.db2.gz YPJSTBQSJSWDQX-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](C)n1cccn1 ZINC001123918432 779699371 /nfs/dbraw/zinc/69/93/71/779699371.db2.gz OJJDLITZEBCEOU-VIFPVBQESA-N 0 3 296.331 -1.395 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)n1cccn1 ZINC001123918431 779699530 /nfs/dbraw/zinc/69/95/30/779699530.db2.gz OJJDLITZEBCEOU-SECBINFHSA-N 0 3 296.331 -1.395 20 0 CAADHN CS[C@@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001123948837 779699541 /nfs/dbraw/zinc/69/95/41/779699541.db2.gz DMMMMDPZRXCJID-QMMMGPOBSA-N 0 3 283.419 -1.007 20 0 CAADHN CCO[C@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001123975506 779699688 /nfs/dbraw/zinc/69/96/88/779699688.db2.gz YUFZFWATOGGUCU-SECBINFHSA-N 0 3 281.378 -1.334 20 0 CAADHN CCO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001123974334 779699700 /nfs/dbraw/zinc/69/97/00/779699700.db2.gz LJAGBKFBABYGSD-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CS[C@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001123948836 779699775 /nfs/dbraw/zinc/69/97/75/779699775.db2.gz DMMMMDPZRXCJID-MRVPVSSYSA-N 0 3 283.419 -1.007 20 0 CAADHN O=C(CNCCNC(=O)c1cn[nH]c1)NC[C@@H]1CCOC1 ZINC001124078817 779701387 /nfs/dbraw/zinc/70/13/87/779701387.db2.gz WCYWTRNOIBAZLA-JTQLQIEISA-N 0 3 295.343 -1.118 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCCO1 ZINC001124041579 779701739 /nfs/dbraw/zinc/70/17/39/779701739.db2.gz AXFQEDFBNGEOPW-SECBINFHSA-N 0 3 286.332 -1.283 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cn[nH]c1 ZINC001124067922 779701867 /nfs/dbraw/zinc/70/18/67/779701867.db2.gz QFICZKIPUQSBPK-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN Cc1ncsc1C(=O)NCCNCC(=O)NC(N)=O ZINC001124049629 779701942 /nfs/dbraw/zinc/70/19/42/779701942.db2.gz OQCKVPNOJRWXBU-UHFFFAOYSA-N 0 3 285.329 -1.034 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cn[nH]c1 ZINC001124055711 779702085 /nfs/dbraw/zinc/70/20/85/779702085.db2.gz MFLIBULFFNTTNE-UHFFFAOYSA-N 0 3 254.250 -2.076 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1cn[nH]c1 ZINC001124061113 779702391 /nfs/dbraw/zinc/70/23/91/779702391.db2.gz CACDEASGVPPHHE-UHFFFAOYSA-N 0 3 275.334 -1.722 20 0 CAADHN O=C(CNC(=O)C1CC1)NCCN[C@@H]1CCCNC1=O ZINC001124101438 779703186 /nfs/dbraw/zinc/70/31/86/779703186.db2.gz MBJGTBWRYYUXRY-SNVBAGLBSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn[nH]c1)C(=O)NC(N)=O ZINC001124084279 779703207 /nfs/dbraw/zinc/70/32/07/779703207.db2.gz ITYYPGGAMZXYHZ-ZCFIWIBFSA-N 0 3 268.277 -1.688 20 0 CAADHN O=C(CNC(=O)C1CC1)NCCNCC(=O)N1CCCC1 ZINC001124084822 779703352 /nfs/dbraw/zinc/70/33/52/779703352.db2.gz UWSZLXYHTTXNAB-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN COCCCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124098129 779703367 /nfs/dbraw/zinc/70/33/67/779703367.db2.gz YVZFHTCQMLUSDL-MRVPVSSYSA-N 0 3 274.321 -1.298 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CNC(=O)C1CC1 ZINC001124084314 779703577 /nfs/dbraw/zinc/70/35/77/779703577.db2.gz JZKMLLWNNWNITI-UHFFFAOYSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001124088444 779703643 /nfs/dbraw/zinc/70/36/43/779703643.db2.gz CEOAUMLFCSXIKA-SSDOTTSWSA-N 0 3 256.306 -1.908 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CNC(=O)C1CC1 ZINC001124088628 779703670 /nfs/dbraw/zinc/70/36/70/779703670.db2.gz HYIIDBFZQPZQGV-UHFFFAOYSA-N 0 3 270.333 -1.693 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CNC(=O)C2CC2)C1=O ZINC001124108229 779703751 /nfs/dbraw/zinc/70/37/51/779703751.db2.gz YGGNZYFXBCZJEL-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CCO[C@@H]1C[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001124150299 779704202 /nfs/dbraw/zinc/70/42/02/779704202.db2.gz ZIZMRGCJLZOVQU-NXEZZACHSA-N 0 3 293.389 -1.334 20 0 CAADHN CCO[C@@H]1C[C@H]1C(=O)NCCNCC(=O)NC(=O)NC ZINC001124150318 779704219 /nfs/dbraw/zinc/70/42/19/779704219.db2.gz ZQOLGUVYQFJVJQ-RKDXNWHRSA-N 0 3 286.332 -1.427 20 0 CAADHN CCO[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001124141729 779704244 /nfs/dbraw/zinc/70/42/44/779704244.db2.gz WYAJVLOJVMNJJJ-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124172368 779704283 /nfs/dbraw/zinc/70/42/83/779704283.db2.gz LJJDKMUVRLQLCR-ZETCQYMHSA-N 0 3 286.288 -2.147 20 0 CAADHN CCO[C@H]1C[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001124146253 779704404 /nfs/dbraw/zinc/70/44/04/779704404.db2.gz BWPXORMJMSEFTR-SFYZADRCSA-N 0 3 272.305 -1.688 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CNC(=O)CC ZINC001124861686 779719451 /nfs/dbraw/zinc/71/94/51/779719451.db2.gz RUNCXABYHQWIMC-UHFFFAOYSA-N 0 3 272.349 -1.255 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)CNC(=O)OC ZINC001124172184 779704454 /nfs/dbraw/zinc/70/44/54/779704454.db2.gz HBPRPUQIAZNNGO-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CCO[C@H]1C[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001124150300 779704533 /nfs/dbraw/zinc/70/45/33/779704533.db2.gz ZIZMRGCJLZOVQU-UWVGGRQHSA-N 0 3 293.389 -1.334 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cnsn1 ZINC001124154590 779704633 /nfs/dbraw/zinc/70/46/33/779704633.db2.gz NLCFPBQMUCQXRC-UHFFFAOYSA-N 0 3 257.319 -1.054 20 0 CAADHN COC(=O)NCC(=O)NCCNCC(=O)NC1CC1 ZINC001124172234 779704979 /nfs/dbraw/zinc/70/49/79/779704979.db2.gz IVOJKRHKQDWDSA-UHFFFAOYSA-N 0 3 272.305 -1.673 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@H]1CCNC1=O ZINC001124172421 779705150 /nfs/dbraw/zinc/70/51/50/779705150.db2.gz LSXQBVITXLASPW-ZETCQYMHSA-N 0 3 258.278 -2.063 20 0 CAADHN COC(=O)NCC(=O)NCCNCC(=O)NC(N)=O ZINC001124172670 779705169 /nfs/dbraw/zinc/70/51/69/779705169.db2.gz NLCUMIANQPEXKU-UHFFFAOYSA-N 0 3 275.265 -2.757 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)CNC(=O)OC ZINC001124173201 779705268 /nfs/dbraw/zinc/70/52/68/779705268.db2.gz YJPQAXPKGOSNIT-UHFFFAOYSA-N 0 3 288.348 -1.083 20 0 CAADHN CCO[C@H]1C[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001124146255 779705285 /nfs/dbraw/zinc/70/52/85/779705285.db2.gz BWPXORMJMSEFTR-YUMQZZPRSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1cc(C)cn1 ZINC001124282390 779708594 /nfs/dbraw/zinc/70/85/94/779708594.db2.gz UBXQJJVMAQLFBL-UHFFFAOYSA-N 0 3 253.306 -1.357 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)nn1C ZINC001124298042 779708624 /nfs/dbraw/zinc/70/86/24/779708624.db2.gz NXYDKKVNLCUQMM-VIFPVBQESA-N 0 3 293.327 -1.147 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@H]1CCNC1=O ZINC001124305111 779708661 /nfs/dbraw/zinc/70/86/61/779708661.db2.gz HWDPHGPTUQSSLL-VIFPVBQESA-N 0 3 270.333 -1.503 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H]2CCNC2=O)nn1C ZINC001124281930 779708695 /nfs/dbraw/zinc/70/86/95/779708695.db2.gz NLQWXNFWLJTHIS-VIFPVBQESA-N 0 3 265.317 -1.064 20 0 CAADHN CO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124296797 779708735 /nfs/dbraw/zinc/70/87/35/779708735.db2.gz ALBNUGRLYVLNFX-RNFRBKRXSA-N 0 3 260.294 -1.690 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C)OC ZINC001124298955 779708896 /nfs/dbraw/zinc/70/88/96/779708896.db2.gz ZKMPHXANMHZIFU-SFYZADRCSA-N 0 3 274.321 -1.429 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124311434 779708906 /nfs/dbraw/zinc/70/89/06/779708906.db2.gz RWLHBHRNPDXJGA-SECBINFHSA-N 0 3 298.343 -1.586 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@@H](CC)C(N)=O ZINC001124311427 779708960 /nfs/dbraw/zinc/70/89/60/779708960.db2.gz RRBWGVZIZOFYEE-VIFPVBQESA-N 0 3 272.349 -1.128 20 0 CAADHN CO[C@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001124293634 779709270 /nfs/dbraw/zinc/70/92/70/779709270.db2.gz WJLQCFNRCPHVTP-MRVPVSSYSA-N 0 3 267.351 -1.724 20 0 CAADHN Cc1cnn(CC(=O)NCCN[C@H](C)C(N)=O)c1 ZINC001124287635 779709282 /nfs/dbraw/zinc/70/92/82/779709282.db2.gz HAKRLLWGCYYJGM-SECBINFHSA-N 0 3 253.306 -1.229 20 0 CAADHN CO[C@H](C)C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001124293660 779709328 /nfs/dbraw/zinc/70/93/28/779709328.db2.gz XAUURYNLRUQTTL-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NCCNC(=O)CS(C)(=O)=O)C(=O)NC(N)=O ZINC001124366278 779710119 /nfs/dbraw/zinc/71/01/19/779710119.db2.gz HTHWRSDVYOERRH-ZCFIWIBFSA-N 0 3 294.333 -2.680 20 0 CAADHN CC[C@H](NCCNC(=O)CS(C)(=O)=O)C(N)=O ZINC001124367618 779710328 /nfs/dbraw/zinc/71/03/28/779710328.db2.gz YTXJEPHRGRJYIM-ZETCQYMHSA-N 0 3 265.335 -1.999 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CS(C)(=O)=O)C1=O ZINC001124366481 779710488 /nfs/dbraw/zinc/71/04/88/779710488.db2.gz JNMFXCWRGVIEJR-QMMMGPOBSA-N 0 3 277.346 -2.033 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CS(C)(=O)=O)C1=O ZINC001124366207 779710648 /nfs/dbraw/zinc/71/06/48/779710648.db2.gz GRVNJMMPMDEWRE-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)CS(C)(=O)=O)C1=O ZINC001124362529 779711060 /nfs/dbraw/zinc/71/10/60/779711060.db2.gz NPVSMLWRYFBPRE-SECBINFHSA-N 0 3 291.373 -1.642 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1ccnn1C ZINC001124545006 779711396 /nfs/dbraw/zinc/71/13/96/779711396.db2.gz XKANGKHEGAGKLF-UHFFFAOYSA-N 0 3 296.331 -1.415 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCOC1)NC[C@@H]1CCOC1 ZINC001124509135 779711432 /nfs/dbraw/zinc/71/14/32/779711432.db2.gz MBRXVBMECOGNBU-RYUDHWBXSA-N 0 3 299.371 -1.119 20 0 CAADHN CCCOCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124454674 779711504 /nfs/dbraw/zinc/71/15/04/779711504.db2.gz KCGUSYJOAYVINB-MRVPVSSYSA-N 0 3 274.321 -1.298 20 0 CAADHN C[C@H](NCCNC(=O)c1ccnn1C)C(=O)NC(N)=O ZINC001124560293 779711812 /nfs/dbraw/zinc/71/18/12/779711812.db2.gz AOXBYEJGBMAPDC-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCOC1)NC[C@H]1CCOC1 ZINC001124509133 779712013 /nfs/dbraw/zinc/71/20/13/779712013.db2.gz MBRXVBMECOGNBU-NEPJUHHUSA-N 0 3 299.371 -1.119 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccnn1C)C(=O)NC(N)=O ZINC001124560292 779712065 /nfs/dbraw/zinc/71/20/65/779712065.db2.gz AOXBYEJGBMAPDC-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCOC1)NC[C@@H]1CCOC1 ZINC001124509134 779712266 /nfs/dbraw/zinc/71/22/66/779712266.db2.gz MBRXVBMECOGNBU-NWDGAFQWSA-N 0 3 299.371 -1.119 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)COC(C)C ZINC001124444296 779712295 /nfs/dbraw/zinc/71/22/95/779712295.db2.gz JAWGCEYDPBITGI-VIFPVBQESA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](OCC1CC1)C(=O)NCCNCC(=O)NC(N)=O ZINC001124464755 779712354 /nfs/dbraw/zinc/71/23/54/779712354.db2.gz AYSAQMBQEVWBGG-MRVPVSSYSA-N 0 3 286.332 -1.298 20 0 CAADHN Cn1nccc1C(=O)NCCNCC(=O)NC(N)=O ZINC001124544990 779712370 /nfs/dbraw/zinc/71/23/70/779712370.db2.gz WOUWEJJDGNEGIY-UHFFFAOYSA-N 0 3 268.277 -2.066 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1cnn(C)c1 ZINC001124608619 779713160 /nfs/dbraw/zinc/71/31/60/779713160.db2.gz YWZLGEBNPJRTMO-UHFFFAOYSA-N 0 3 253.306 -1.586 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1cnn(C)c1 ZINC001124613401 779713199 /nfs/dbraw/zinc/71/31/99/779713199.db2.gz NEWFNGBMTYJFJG-UHFFFAOYSA-N 0 3 296.331 -1.876 20 0 CAADHN Cn1cc(CC(=O)NCCNCC(=O)NC2CC2)cn1 ZINC001124612385 779713234 /nfs/dbraw/zinc/71/32/34/779713234.db2.gz ATJMDBKIVCLZDH-UHFFFAOYSA-N 0 3 279.344 -1.053 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1C(=O)NCCNCC(=O)N(C)C ZINC001124661334 779713328 /nfs/dbraw/zinc/71/33/28/779713328.db2.gz DBWHGKHLQQFOPX-RKDXNWHRSA-N 0 3 271.317 -1.411 20 0 CAADHN COC(=O)[C@H]1C[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001124663612 779713495 /nfs/dbraw/zinc/71/34/95/779713495.db2.gz RCASXYSNRKZEGE-RQJHMYQMSA-N 0 3 286.288 -2.304 20 0 CAADHN CC[C@H](OC)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124566969 779713535 /nfs/dbraw/zinc/71/35/35/779713535.db2.gz NDXHYKHXIJKDFE-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN CO[C@H](C)CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124606064 779713667 /nfs/dbraw/zinc/71/36/67/779713667.db2.gz AREDXXIQQHGRFF-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@H](OC)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124566968 779714057 /nfs/dbraw/zinc/71/40/57/779714057.db2.gz NDXHYKHXIJKDFE-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@@H](OC)C(=O)NCCNCC(=O)N1CCOCC1 ZINC001124567003 779714106 /nfs/dbraw/zinc/71/41/06/779714106.db2.gz NXGNUMOOSVEGIQ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CO[C@H](C)CC(=O)NCCNCCNS(C)(=O)=O ZINC001124599559 779714154 /nfs/dbraw/zinc/71/41/54/779714154.db2.gz AOTKFSKDZNLMPN-SECBINFHSA-N 0 3 281.378 -1.334 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001124661326 779714206 /nfs/dbraw/zinc/71/42/06/779714206.db2.gz DBWHGKHLQQFOPX-DTWKUNHWSA-N 0 3 271.317 -1.411 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001124664795 779714601 /nfs/dbraw/zinc/71/46/01/779714601.db2.gz ZVEYYTGMYUXKET-NXEZZACHSA-N 0 3 283.328 -1.266 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001124664579 779714665 /nfs/dbraw/zinc/71/46/65/779714665.db2.gz XPDZGBUQCFHGLC-VHSXEESVSA-N 0 3 285.344 -1.020 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)C1=COCCC1 ZINC001124674401 779714737 /nfs/dbraw/zinc/71/47/37/779714737.db2.gz GDQQOJLBKVOGOV-UHFFFAOYSA-N 0 3 291.373 -1.064 20 0 CAADHN CCOCCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124696155 779714789 /nfs/dbraw/zinc/71/47/89/779714789.db2.gz AOVUPTFVBGKBCO-SECBINFHSA-N 0 3 271.317 -1.076 20 0 CAADHN C[C@H](NCCNC(=O)C1=COCCC1)C(=O)NC(N)=O ZINC001124674448 779715147 /nfs/dbraw/zinc/71/51/47/779715147.db2.gz HQKFOHIOQOWOPM-QMMMGPOBSA-N 0 3 284.316 -1.030 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001124664797 779715170 /nfs/dbraw/zinc/71/51/70/779715170.db2.gz ZVEYYTGMYUXKET-VHSXEESVSA-N 0 3 283.328 -1.266 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001124664578 779715405 /nfs/dbraw/zinc/71/54/05/779715405.db2.gz XPDZGBUQCFHGLC-UWVGGRQHSA-N 0 3 285.344 -1.020 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001124664577 779715435 /nfs/dbraw/zinc/71/54/35/779715435.db2.gz XPDZGBUQCFHGLC-NXEZZACHSA-N 0 3 285.344 -1.020 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cocn1 ZINC001124787558 779715816 /nfs/dbraw/zinc/71/58/16/779715816.db2.gz DOPGNLWZFIYTEO-UHFFFAOYSA-N 0 3 255.234 -1.811 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cscn1 ZINC001124736654 779715861 /nfs/dbraw/zinc/71/58/61/779715861.db2.gz FHGPYMOHCGSLHL-UHFFFAOYSA-N 0 3 285.329 -1.082 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)c1cocn1 ZINC001124799052 779715925 /nfs/dbraw/zinc/71/59/25/779715925.db2.gz QFPBCUUWHOKBTR-UHFFFAOYSA-N 0 3 290.345 -1.067 20 0 CAADHN C[C@@H](NCCNC(=O)c1cocn1)C(=O)NC(N)=O ZINC001124799314 779716090 /nfs/dbraw/zinc/71/60/90/779716090.db2.gz ULSSYVJTVCCFKC-ZCFIWIBFSA-N 0 3 269.261 -1.423 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124727734 779716270 /nfs/dbraw/zinc/71/62/70/779716270.db2.gz SPSBCQVSMCJUBF-VIFPVBQESA-N 0 3 298.343 -1.586 20 0 CAADHN C[C@H](NCCNC(=O)c1cocn1)C(=O)NC(N)=O ZINC001124799309 779716350 /nfs/dbraw/zinc/71/63/50/779716350.db2.gz ULSSYVJTVCCFKC-LURJTMIESA-N 0 3 269.261 -1.423 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001124726895 779716403 /nfs/dbraw/zinc/71/64/03/779716403.db2.gz LTFVYCCMYKUJMW-SECBINFHSA-N 0 3 270.333 -1.503 20 0 CAADHN COC[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124759778 779716471 /nfs/dbraw/zinc/71/64/71/779716471.db2.gz JVVVCISSSKFRGO-SFYZADRCSA-N 0 3 274.321 -1.442 20 0 CAADHN COC[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124759776 779716579 /nfs/dbraw/zinc/71/65/79/779716579.db2.gz JVVVCISSSKFRGO-HTQZYQBOSA-N 0 3 274.321 -1.442 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@@H](C)C(N)=O ZINC001124728138 779716538 /nfs/dbraw/zinc/71/65/38/779716538.db2.gz YPQSAPQQKJIWJC-QMMMGPOBSA-N 0 3 258.322 -1.518 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC(=O)N1)C(=O)NC(N)=O ZINC001124804806 779717557 /nfs/dbraw/zinc/71/75/57/779717557.db2.gz LCGUZZMEFOBVCI-RNFRBKRXSA-N 0 3 285.304 -2.446 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804706 779717583 /nfs/dbraw/zinc/71/75/83/779717583.db2.gz GIUFZXLJLDLCOP-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001124814619 779717622 /nfs/dbraw/zinc/71/76/22/779717622.db2.gz KTDGZSBZSWHWGT-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001124818879 779717772 /nfs/dbraw/zinc/71/77/72/779717772.db2.gz NEXXKFYYENMUCH-GXSJLCMTSA-N 0 3 296.371 -1.115 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804634 779717846 /nfs/dbraw/zinc/71/78/46/779717846.db2.gz DDLRFHUSQFJQNL-SNVBAGLBSA-N 0 3 265.317 -1.096 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124805492 779717981 /nfs/dbraw/zinc/71/79/81/779717981.db2.gz YGNJPKVSAHLOMU-SECBINFHSA-N 0 3 270.333 -1.503 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001124818923 779718016 /nfs/dbraw/zinc/71/80/16/779718016.db2.gz NXIOHZDAPLESQM-HTQZYQBOSA-N 0 3 256.306 -1.765 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804907 779718191 /nfs/dbraw/zinc/71/81/91/779718191.db2.gz PIGWCUAGPUSCJO-ZCFIWIBFSA-N 0 3 271.277 -2.834 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804722 779718381 /nfs/dbraw/zinc/71/83/81/779718381.db2.gz HJFQIPKPYJQYMU-MRVPVSSYSA-N 0 3 256.306 -1.893 20 0 CAADHN CSC[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001124830416 779718394 /nfs/dbraw/zinc/71/83/94/779718394.db2.gz CCPZJVQRDVELCQ-SSDOTTSWSA-N 0 3 276.362 -1.114 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)[nH]1 ZINC001124824840 779718432 /nfs/dbraw/zinc/71/84/32/779718432.db2.gz HHSDBYFIBQYSLW-MRVPVSSYSA-N 0 3 279.300 -1.157 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCC(=O)N1 ZINC001124804912 779718447 /nfs/dbraw/zinc/71/84/47/779718447.db2.gz PIXWZOWYTKZZDB-JGVFFNPUSA-N 0 3 254.290 -2.141 20 0 CAADHN Cc1ncc(C(=O)NCCNCC(=O)N2CCOCC2)[nH]1 ZINC001124824433 779718520 /nfs/dbraw/zinc/71/85/20/779718520.db2.gz CXKHJDXEBGYEFR-UHFFFAOYSA-N 0 3 295.343 -1.104 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124805539 779718536 /nfs/dbraw/zinc/71/85/36/779718536.db2.gz ZCLPZNPPVRXBOG-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804915 779718545 /nfs/dbraw/zinc/71/85/45/779718545.db2.gz PNGRGPFETHGLLB-HTQZYQBOSA-N 0 3 299.331 -2.185 20 0 CAADHN CCC(=O)NCC(=O)NCCNCC(=O)N(C)C ZINC001124861444 779719006 /nfs/dbraw/zinc/71/90/06/779719006.db2.gz MGOPGSRTYJMMPJ-UHFFFAOYSA-N 0 3 258.322 -1.693 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001124856389 779719068 /nfs/dbraw/zinc/71/90/68/779719068.db2.gz RREKTUZVAHJMQF-SECBINFHSA-N 0 3 270.333 -1.503 20 0 CAADHN COCCOCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001124920055 779719341 /nfs/dbraw/zinc/71/93/41/779719341.db2.gz BDDUESWSTQRKNO-SNVBAGLBSA-N 0 3 273.333 -1.366 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccc(F)nc1 ZINC001124929954 779719695 /nfs/dbraw/zinc/71/96/95/779719695.db2.gz ABMFZQDBPQGLCD-UHFFFAOYSA-N 0 3 283.263 -1.265 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124861613 779719779 /nfs/dbraw/zinc/71/97/79/779719779.db2.gz OSNBDHJLGZXKFD-QMMMGPOBSA-N 0 3 284.316 -1.976 20 0 CAADHN Cc1cc(CC(=O)NCCNCC(=O)NC(N)=O)no1 ZINC001124999252 779720419 /nfs/dbraw/zinc/72/04/19/779720419.db2.gz NBSKDOHNRMZDPT-UHFFFAOYSA-N 0 3 283.288 -1.574 20 0 CAADHN CC(C)(C)N1CC[C@@H](NCCNC(=O)CC(N)=O)C1=O ZINC001125084708 779720469 /nfs/dbraw/zinc/72/04/69/779720469.db2.gz DZPKUZAUADTBBQ-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](NCCNC(=O)c1nccnc1N)C(N)=O ZINC001125028913 779720659 /nfs/dbraw/zinc/72/06/59/779720659.db2.gz AKTNQMAKCZRAEK-ZCFIWIBFSA-N 0 3 252.278 -1.748 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2nccnc2N)C1=O ZINC001125034939 779720682 /nfs/dbraw/zinc/72/06/82/779720682.db2.gz ZFEAZHMVSCFQKG-MRVPVSSYSA-N 0 3 278.316 -1.391 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1nccnc1N ZINC001125028970 779720695 /nfs/dbraw/zinc/72/06/95/779720695.db2.gz CTGUYSLLWBEVEF-UHFFFAOYSA-N 0 3 266.305 -1.534 20 0 CAADHN C[C@@H](NCCNC(=O)c1nccnc1N)C(=O)NC(N)=O ZINC001125034589 779720709 /nfs/dbraw/zinc/72/07/09/779720709.db2.gz RAIYKMVCYLJTSE-ZCFIWIBFSA-N 0 3 295.303 -2.038 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(C)nc1C ZINC001124961873 779720789 /nfs/dbraw/zinc/72/07/89/779720789.db2.gz MMQQYANVCGEGQM-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CC(N)=O)C1=O ZINC001125084714 779720860 /nfs/dbraw/zinc/72/08/60/779720860.db2.gz FEISFYAWMXOOBQ-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN C[C@@H](NCCNC(=O)c1nccnc1N)C(=O)N(C)C ZINC001125034043 779720873 /nfs/dbraw/zinc/72/08/73/779720873.db2.gz LZGVVGKSHCXBJG-MRVPVSSYSA-N 0 3 280.332 -1.145 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NCc1ccccc1 ZINC001125079578 779721209 /nfs/dbraw/zinc/72/12/09/779721209.db2.gz AIBNWMPFNIEZQZ-UHFFFAOYSA-N 0 3 292.339 -1.116 20 0 CAADHN C[C@H](NCCNC(=O)c1nccnc1N)C(=O)NC(N)=O ZINC001125034586 779721224 /nfs/dbraw/zinc/72/12/24/779721224.db2.gz RAIYKMVCYLJTSE-LURJTMIESA-N 0 3 295.303 -2.038 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)c2nccnc2N)C1=O ZINC001125028947 779721597 /nfs/dbraw/zinc/72/15/97/779721597.db2.gz BQNJVCSJNDEMIV-SECBINFHSA-N 0 3 292.343 -1.001 20 0 CAADHN O=C(Cc1cc[nH]n1)NCCN[C@@H]1CCNC1=O ZINC001125140967 779722105 /nfs/dbraw/zinc/72/21/05/779722105.db2.gz CBRMHQCDFQBPOI-SECBINFHSA-N 0 3 251.290 -1.454 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cc1ccon1 ZINC001125098631 779722216 /nfs/dbraw/zinc/72/22/16/779722216.db2.gz JPIRAXWEYNHIGR-UHFFFAOYSA-N 0 3 290.345 -1.528 20 0 CAADHN C[C@H](NCCNC(=O)CC(N)=O)C(=O)NC(C)(C)C ZINC001125090157 779722226 /nfs/dbraw/zinc/72/22/26/779722226.db2.gz CXCHJIVATYNMMQ-QMMMGPOBSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCOC1)C(=O)NC(N)=O ZINC001125128972 779722247 /nfs/dbraw/zinc/72/22/47/779722247.db2.gz IDDZJHNJCJTFBE-RKDXNWHRSA-N 0 3 286.332 -1.298 20 0 CAADHN O=C(Cc1cc[nH]n1)NCCN[C@H]1CCC(=O)NC1=O ZINC001125151717 779722261 /nfs/dbraw/zinc/72/22/61/779722261.db2.gz CNNXABZKLOBJQU-VIFPVBQESA-N 0 3 279.300 -1.537 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1ccon1 ZINC001125098213 779722284 /nfs/dbraw/zinc/72/22/84/779722284.db2.gz DTZHHTCJSCHEHA-QMMMGPOBSA-N 0 3 297.315 -1.233 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)C[C@H]1CCOC1 ZINC001125129203 779722313 /nfs/dbraw/zinc/72/23/13/779722313.db2.gz NMGGXYRUTCKSGG-SNVBAGLBSA-N 0 3 293.389 -1.332 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)CC(N)=O ZINC001125090312 779722357 /nfs/dbraw/zinc/72/23/57/779722357.db2.gz HXAVRPAICZPMIT-MRVPVSSYSA-N 0 3 258.322 -1.518 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)Cc1cc[nH]n1 ZINC001125141137 779722435 /nfs/dbraw/zinc/72/24/35/779722435.db2.gz HPNUZGHDBGDDKU-UHFFFAOYSA-N 0 3 297.359 -1.189 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCOC1)C(=O)NC(N)=O ZINC001125128970 779722611 /nfs/dbraw/zinc/72/26/11/779722611.db2.gz IDDZJHNJCJTFBE-DTWKUNHWSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H](NCCNC(=O)Cc1ccon1)C(=O)NC(N)=O ZINC001125099212 779722692 /nfs/dbraw/zinc/72/26/92/779722692.db2.gz SCJXBQKMZZPNMW-ZETCQYMHSA-N 0 3 283.288 -1.494 20 0 CAADHN CNC(=O)CNCCNC(=O)c1nnn(C)c1C ZINC001125169904 779722722 /nfs/dbraw/zinc/72/27/22/779722722.db2.gz NRWPRPFZNBBQOZ-UHFFFAOYSA-N 0 3 254.294 -1.811 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cc1cc[nH]n1 ZINC001125158419 779722758 /nfs/dbraw/zinc/72/27/58/779722758.db2.gz MLELMPWDVQWGHL-MRVPVSSYSA-N 0 3 253.306 -1.208 20 0 CAADHN O=C(Cc1cc[nH]n1)NCCNCC(=O)N1CCOCC1 ZINC001125141006 779722778 /nfs/dbraw/zinc/72/27/78/779722778.db2.gz DBDTXJVUWBICCF-UHFFFAOYSA-N 0 3 295.343 -1.483 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccncc1F ZINC001125169681 779722866 /nfs/dbraw/zinc/72/28/66/779722866.db2.gz IUBKQBCZRLQDLZ-UHFFFAOYSA-N 0 3 283.263 -1.265 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1ccon1 ZINC001125098029 779722881 /nfs/dbraw/zinc/72/28/81/779722881.db2.gz DTZHHTCJSCHEHA-MRVPVSSYSA-N 0 3 297.315 -1.233 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)Cc1cc[nH]n1 ZINC001125141090 779723096 /nfs/dbraw/zinc/72/30/96/779723096.db2.gz FSUBSRZZHSYYLX-UHFFFAOYSA-N 0 3 297.359 -1.189 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1nnn(C)c1C ZINC001125175145 779723370 /nfs/dbraw/zinc/72/33/70/779723370.db2.gz KWYMQFNYDSQHRB-SSDOTTSWSA-N 0 3 268.321 -1.423 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001125213290 779723402 /nfs/dbraw/zinc/72/34/02/779723402.db2.gz CXNXHDOMCCEJKF-GFCCVEGCSA-N 0 3 298.387 -1.451 20 0 CAADHN Cn1[nH]c(CNCCNC(=O)[C@@H]2CN(C)CCO2)nc1=O ZINC001125214933 779723416 /nfs/dbraw/zinc/72/34/16/779723416.db2.gz XVHNQSJRMGAHDS-VIFPVBQESA-N 0 3 298.347 -2.355 20 0 CAADHN Cc1c(C(=O)NCCNCC(=O)N(C)C)nnn1C ZINC001125175002 779723805 /nfs/dbraw/zinc/72/38/05/779723805.db2.gz DMACJFOGFKTDGT-UHFFFAOYSA-N 0 3 268.321 -1.469 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CN(C)CCO1 ZINC001125220839 779723979 /nfs/dbraw/zinc/72/39/79/779723979.db2.gz KYHYUHAISZIVGZ-SNVBAGLBSA-N 0 3 272.349 -1.889 20 0 CAADHN Cc1c(C(=O)NCCN[C@H]2CCN(C)C2=O)nnn1C ZINC001125185335 779723996 /nfs/dbraw/zinc/72/39/96/779723996.db2.gz XDQQRSMPKISQGW-VIFPVBQESA-N 0 3 280.332 -1.326 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)/C=C\C1CC1 ZINC001125236726 779724058 /nfs/dbraw/zinc/72/40/58/779724058.db2.gz KZYRDDOAVJFWMH-ARJAWSKDSA-N 0 3 254.290 -1.147 20 0 CAADHN Cc1c(C(=O)NCCN[C@H](C)C(N)=O)nnn1C ZINC001125175089 779724145 /nfs/dbraw/zinc/72/41/45/779724145.db2.gz ILVLMSMGOPPDQY-ZCFIWIBFSA-N 0 3 254.294 -1.683 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CN(C)CCO1)C(=O)NC1CC1 ZINC001125203344 779724308 /nfs/dbraw/zinc/72/43/08/779724308.db2.gz MACHDUIEXBCQFX-CMPLNLGQSA-N 0 3 298.387 -1.310 20 0 CAADHN Cc1c(C(=O)NCCN[C@H]2CCC(=O)NC2=O)nnn1C ZINC001125175269 779724322 /nfs/dbraw/zinc/72/43/22/779724322.db2.gz QGXLPZBUHGQQAU-QMMMGPOBSA-N 0 3 294.315 -1.752 20 0 CAADHN Cc1cncc(C(=O)NCCNCC(=O)NC(N)=O)c1 ZINC001125198839 779724382 /nfs/dbraw/zinc/72/43/82/779724382.db2.gz DLFLCPLCIZMTFM-UHFFFAOYSA-N 0 3 279.300 -1.096 20 0 CAADHN Cc1c(C(=O)NCCN[C@@H](C)C(N)=O)nnn1C ZINC001125175088 779724441 /nfs/dbraw/zinc/72/44/41/779724441.db2.gz ILVLMSMGOPPDQY-LURJTMIESA-N 0 3 254.294 -1.683 20 0 CAADHN Cc1ccncc1C(=O)NCCNCC(=O)NC(N)=O ZINC001125195443 779724464 /nfs/dbraw/zinc/72/44/64/779724464.db2.gz RTPGXBLHSQOUDO-UHFFFAOYSA-N 0 3 279.300 -1.096 20 0 CAADHN CN1CCO[C@H](C(=O)NCCNCCS(C)(=O)=O)C1 ZINC001125214427 779724502 /nfs/dbraw/zinc/72/45/02/779724502.db2.gz SZJJBBBZGOJWJA-JTQLQIEISA-N 0 3 293.389 -1.933 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CN(C)CCO1)C(=O)N(C)C ZINC001125220873 779724553 /nfs/dbraw/zinc/72/45/53/779724553.db2.gz LTHVTDKWACXQAL-MNOVXSKESA-N 0 3 286.376 -1.501 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CN(C)CCO1)C(=O)N(C)C ZINC001125220874 779724567 /nfs/dbraw/zinc/72/45/67/779724567.db2.gz LTHVTDKWACXQAL-QWRGUYRKSA-N 0 3 286.376 -1.501 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125220227 779724653 /nfs/dbraw/zinc/72/46/53/779724653.db2.gz GAEKEHUSPMYIKY-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125213881 779724678 /nfs/dbraw/zinc/72/46/78/779724678.db2.gz MGUUBRPZXQQGAZ-LBPRGKRZSA-N 0 3 281.360 -1.044 20 0 CAADHN CN1CCN(C)[C@@H](CNC(=O)[C@@H]2CNCCO2)C1 ZINC000225355678 779729676 /nfs/dbraw/zinc/72/96/76/779729676.db2.gz AZSAAYLHCSZFET-QWRGUYRKSA-N 0 3 256.350 -1.663 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H]1CN(CCCO)CCCO1 ZINC001149159766 779735581 /nfs/dbraw/zinc/73/55/81/779735581.db2.gz LTTVOEJPIANKAW-NSHDSACASA-N 0 3 298.347 -1.737 20 0 CAADHN CCN1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149159769 779735708 /nfs/dbraw/zinc/73/57/08/779735708.db2.gz LWFHEIUKBHQGKC-JTQLQIEISA-N 0 3 268.321 -1.100 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001140115660 779737082 /nfs/dbraw/zinc/73/70/82/779737082.db2.gz BKEDSZCECKWMSV-UTLUCORTSA-N 0 3 296.327 -1.748 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H]1CN(CCO)CCCO1 ZINC001149160749 779739153 /nfs/dbraw/zinc/73/91/53/779739153.db2.gz ZQWXHTRBXHPHNJ-SNVBAGLBSA-N 0 3 284.320 -2.128 20 0 CAADHN NC(=O)C(NC(=O)[C@H]1CC[C@@H]2CCCCN12)C(N)=O ZINC001141290797 779740021 /nfs/dbraw/zinc/74/00/21/779740021.db2.gz IPABWSXXJSCHPR-JGVFFNPUSA-N 0 3 268.317 -1.541 20 0 CAADHN NC(=O)C(NC(=O)[C@H]1CC[C@H]2CCCCN21)C(N)=O ZINC001141290796 779740714 /nfs/dbraw/zinc/74/07/14/779740714.db2.gz IPABWSXXJSCHPR-HTQZYQBOSA-N 0 3 268.317 -1.541 20 0 CAADHN CN1CCC(CO)(NC(=O)CN2CC(=O)NC2=O)CC1 ZINC001142097004 779751210 /nfs/dbraw/zinc/75/12/10/779751210.db2.gz RVKYOWJOAPFINT-UHFFFAOYSA-N 0 3 284.316 -1.889 20 0 CAADHN CN1CCC(CO)(NC(=O)Cn2cnnn2)CC1 ZINC001142141392 779754366 /nfs/dbraw/zinc/75/43/66/779754366.db2.gz IYZATQADHHIZGV-UHFFFAOYSA-N 0 3 254.294 -1.754 20 0 CAADHN CC(C)N(C)CC(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001142590995 779760374 /nfs/dbraw/zinc/76/03/74/779760374.db2.gz XHULFJIYEMCVJK-GARJFASQSA-N 0 3 256.354 -2.154 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001142590052 779760964 /nfs/dbraw/zinc/76/09/64/779760964.db2.gz BTFPUHZQSKTCFJ-RGHQJQCBSA-N 0 3 292.332 -2.757 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001142590053 779761035 /nfs/dbraw/zinc/76/10/35/779761035.db2.gz BTFPUHZQSKTCFJ-YNVCDSSISA-N 0 3 292.332 -2.757 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)NCCNCCF ZINC001150401119 779792460 /nfs/dbraw/zinc/79/24/60/779792460.db2.gz UNGYTLQJADLILM-SSDOTTSWSA-N 0 3 260.269 -1.350 20 0 CAADHN CC(=O)N1C[C@H](O)C[C@H]1C(=O)NC1(CO)CCN(C)CC1 ZINC001143039537 779767068 /nfs/dbraw/zinc/76/70/68/779767068.db2.gz FXMPWBBWAWXAQM-NEPJUHHUSA-N 0 3 299.371 -1.459 20 0 CAADHN CN1CCN(CCC(=O)N2CCCNC(=O)C2)CC1 ZINC001143224813 779769204 /nfs/dbraw/zinc/76/92/04/779769204.db2.gz CSBPXLGJLKFYGR-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN CN(C[C@@H](O)CO)C(=O)CCN1CCN(C)CC1 ZINC001143225217 779769291 /nfs/dbraw/zinc/76/92/91/779769291.db2.gz UZVJLHKBWMUSIA-LLVKDONJSA-N 0 3 259.350 -1.565 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)CCN1CCN(C)CC1 ZINC001143230247 779769794 /nfs/dbraw/zinc/76/97/94/779769794.db2.gz FYGHSIDQFFFJOQ-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CN1CCN(CCC(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)CC1 ZINC001143238533 779769873 /nfs/dbraw/zinc/76/98/73/779769873.db2.gz ZBVLNIUOQWJGOV-AVGNSLFASA-N 0 3 297.407 -2.857 20 0 CAADHN CCC(CO)(CO)NC(=O)CCN1CCN(C)CC1 ZINC001143236553 779770069 /nfs/dbraw/zinc/77/00/69/779770069.db2.gz KYHQHXRTAUACPD-UHFFFAOYSA-N 0 3 273.377 -1.127 20 0 CAADHN CN1CCN(CCC(=O)NC[C@@H]2CNC(=O)C2)CC1 ZINC001143236890 779770094 /nfs/dbraw/zinc/77/00/94/779770094.db2.gz WSWBNORUHLPILT-LLVKDONJSA-N 0 3 268.361 -1.124 20 0 CAADHN CN1CCN(CCC(=O)N2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC001143225137 779770113 /nfs/dbraw/zinc/77/01/13/779770113.db2.gz QVWWOMQNGPZBMB-OLZOCXBDSA-N 0 3 285.388 -1.174 20 0 CAADHN Cn1nnnc1NC(=O)CCN1CCN(C)CC1 ZINC001143223933 779770161 /nfs/dbraw/zinc/77/01/61/779770161.db2.gz LSMSBTBKJLZMBL-UHFFFAOYSA-N 0 3 253.310 -1.214 20 0 CAADHN CN1CCN(CCC(=O)NC(CO)(CO)CO)CC1 ZINC001143236502 779770215 /nfs/dbraw/zinc/77/02/15/779770215.db2.gz JEYWDCZHBGXNIX-UHFFFAOYSA-N 0 3 275.349 -2.544 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)CCN1CCN(C)CC1 ZINC001143230248 779770272 /nfs/dbraw/zinc/77/02/72/779770272.db2.gz FYGHSIDQFFFJOQ-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CN1CCN(CCC(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC001143230539 779770306 /nfs/dbraw/zinc/77/03/06/779770306.db2.gz BKBIVMVJQVEVIW-NSHDSACASA-N 0 3 284.360 -1.663 20 0 CAADHN CNC(=O)CNCCNC(=O)CO[C@H](C)c1nccn1C ZINC001149288102 779774675 /nfs/dbraw/zinc/77/46/75/779774675.db2.gz WXALQOVJPOEDDF-SNVBAGLBSA-N 0 3 297.359 -1.051 20 0 CAADHN COc1c(C(=O)NCCNCC(=O)NC(N)=O)cnn1C ZINC001149203109 779774844 /nfs/dbraw/zinc/77/48/44/779774844.db2.gz XHKZHFHMDLFWCV-UHFFFAOYSA-N 0 3 298.303 -2.057 20 0 CAADHN CC(=O)N(C)CCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001149268551 779775108 /nfs/dbraw/zinc/77/51/08/779775108.db2.gz HJSZLZVFXNNQKA-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)N(C)CCCC(=O)NCCN[C@H](C)C(N)=O ZINC001149247038 779775121 /nfs/dbraw/zinc/77/51/21/779775121.db2.gz ATZYYLQRJBUZKC-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CS(=O)(=O)N(C)C ZINC001149431691 779776252 /nfs/dbraw/zinc/77/62/52/779776252.db2.gz AYKPCWFVPFGEFW-UHFFFAOYSA-N 0 3 294.377 -2.328 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCN(C(C)=O)C1)C(N)=O ZINC001149325123 779776281 /nfs/dbraw/zinc/77/62/81/779776281.db2.gz KYLOXMAJXQUDKK-QWRGUYRKSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn(CCOC)c1 ZINC001149332922 779776545 /nfs/dbraw/zinc/77/65/45/779776545.db2.gz MDERCARIRFRAIN-UHFFFAOYSA-N 0 3 283.332 -1.405 20 0 CAADHN COCCn1cc(C(=O)NCCN[C@@H]2CCNC2=O)cn1 ZINC001149338741 779776688 /nfs/dbraw/zinc/77/66/88/779776688.db2.gz JKYYPUBSXAUYMW-LLVKDONJSA-N 0 3 295.343 -1.263 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001149318708 779776856 /nfs/dbraw/zinc/77/68/56/779776856.db2.gz YBNXRCLXQNKYHE-NEPJUHHUSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)c1cccc(C(=O)NCCNCC(N)=O)n1 ZINC001149464500 779778456 /nfs/dbraw/zinc/77/84/56/779778456.db2.gz XYXPWVJWDAFBGT-UHFFFAOYSA-N 0 3 279.300 -1.754 20 0 CAADHN CNC(=O)c1cccc(C(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001149463841 779778567 /nfs/dbraw/zinc/77/85/67/779778567.db2.gz IBQVUBPCALKNNA-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NCCNCC(N)=O ZINC001149456033 779778937 /nfs/dbraw/zinc/77/89/37/779778937.db2.gz WICSSEKFMITIPV-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCCC(=O)N1C)C(N)=O ZINC001149470274 779779060 /nfs/dbraw/zinc/77/90/60/779779060.db2.gz XGMQHBZTBKTXAE-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN COCCN1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149475663 779779082 /nfs/dbraw/zinc/77/90/82/779779082.db2.gz ZPKXATNRFAQQJZ-SNVBAGLBSA-N 0 3 273.333 -1.285 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)NCCNCCF)C1 ZINC001149530444 779779630 /nfs/dbraw/zinc/77/96/30/779779630.db2.gz KTTTXWFOKGLIBI-JTQLQIEISA-N 0 3 261.297 -1.091 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001149531450 779779668 /nfs/dbraw/zinc/77/96/68/779779668.db2.gz ZRACCCYJXOJKGR-WCBMZHEXSA-N 0 3 286.332 -2.187 20 0 CAADHN Cc1nn(CC(=O)NCCN[C@@H]2CCNC2=O)c(=O)n1C ZINC001149576324 779779923 /nfs/dbraw/zinc/77/99/23/779779923.db2.gz AXBLXALGECASKI-SECBINFHSA-N 0 3 296.331 -2.515 20 0 CAADHN Cc1nnc(CC(=O)NC[C@@H]2CN(CCO)CCCO2)[nH]1 ZINC001149680786 779780872 /nfs/dbraw/zinc/78/08/72/779780872.db2.gz DCNSBOOPRFGVSD-LLVKDONJSA-N 0 3 297.359 -1.145 20 0 CAADHN Cc1nn(CC(=O)NCCN[C@H](C)C(N)=O)c(=O)n1C ZINC001149576528 779781332 /nfs/dbraw/zinc/78/13/32/779781332.db2.gz GZEAVDJJPPBPEM-SSDOTTSWSA-N 0 3 284.320 -2.530 20 0 CAADHN CNC(=O)CC(=O)NC[C@@H]1CN(C[C@@H](C)O)CCCO1 ZINC001149599602 779781366 /nfs/dbraw/zinc/78/13/66/779781366.db2.gz JOIIGSGXQMPMLJ-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149576691 779781392 /nfs/dbraw/zinc/78/13/92/779781392.db2.gz KISHRMWTVZUXIL-UHFFFAOYSA-N 0 3 298.347 -2.268 20 0 CAADHN Cc1nn(CC(=O)NCCN[C@H]2CCNC2=O)c(=O)n1C ZINC001149576325 779781491 /nfs/dbraw/zinc/78/14/91/779781491.db2.gz AXBLXALGECASKI-VIFPVBQESA-N 0 3 296.331 -2.515 20 0 CAADHN O=C(CCn1ccnn1)NC[C@H]1CN(CCO)CCCO1 ZINC001149616063 779781891 /nfs/dbraw/zinc/78/18/91/779781891.db2.gz XHOFMQFWCDEZFM-LBPRGKRZSA-N 0 3 297.359 -1.132 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1ccc(=O)[nH]c1 ZINC001149763366 779782351 /nfs/dbraw/zinc/78/23/51/779782351.db2.gz PZWNIMMQRSWALI-VIFPVBQESA-N 0 3 292.295 -1.088 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccc(=O)[nH]c1 ZINC001149747645 779782426 /nfs/dbraw/zinc/78/24/26/779782426.db2.gz SKKXZFVICOSMMM-UHFFFAOYSA-N 0 3 295.299 -1.438 20 0 CAADHN C[C@H](O)CN1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149796429 779782470 /nfs/dbraw/zinc/78/24/70/779782470.db2.gz KWOAQEHFZVBVPJ-RYUDHWBXSA-N 0 3 297.359 -1.134 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)c1ccco1)C(N)=O ZINC001149884862 779782480 /nfs/dbraw/zinc/78/24/80/779782480.db2.gz QHPDLIVNTIILFD-MRVPVSSYSA-N 0 3 282.300 -1.411 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149855258 779782491 /nfs/dbraw/zinc/78/24/91/779782491.db2.gz WZVULTKVBLVWJB-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1ccc(=O)[nH]c1 ZINC001149747852 779782638 /nfs/dbraw/zinc/78/26/38/779782638.db2.gz YJSAOJJXGURAHW-VIFPVBQESA-N 0 3 264.285 -1.005 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccc(=O)[nH]c1 ZINC001149747156 779782709 /nfs/dbraw/zinc/78/27/09/779782709.db2.gz CFUDLKKFAOWDKB-UHFFFAOYSA-N 0 3 281.272 -1.699 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)c1ccc(F)cc1 ZINC001149874797 779782820 /nfs/dbraw/zinc/78/28/20/779782820.db2.gz IJMPGMHLWGILPY-UHFFFAOYSA-N 0 3 296.302 -1.253 20 0 CAADHN CC(C)(C(N)=O)C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149863228 779782860 /nfs/dbraw/zinc/78/28/60/779782860.db2.gz YZURJQQVJKMKNR-SNVBAGLBSA-N 0 3 287.360 -1.303 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1ccc(=O)[nH]c1 ZINC001149763365 779782943 /nfs/dbraw/zinc/78/29/43/779782943.db2.gz PZWNIMMQRSWALI-SECBINFHSA-N 0 3 292.295 -1.088 20 0 CAADHN Cc1cccc(C(=O)NCC(=O)NCCNCC(N)=O)c1 ZINC001149837943 779783180 /nfs/dbraw/zinc/78/31/80/779783180.db2.gz HRXGBADSLVHNJG-UHFFFAOYSA-N 0 3 292.339 -1.084 20 0 CAADHN C[C@H](O)CN1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149737979 779783264 /nfs/dbraw/zinc/78/32/64/779783264.db2.gz CNEBCNVFKYLMJE-QWRGUYRKSA-N 0 3 298.347 -1.739 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149855265 779783436 /nfs/dbraw/zinc/78/34/36/779783436.db2.gz WZVULTKVBLVWJB-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)c1cccs1 ZINC001149859818 779783471 /nfs/dbraw/zinc/78/34/71/779783471.db2.gz XUTJUQHWJPPANE-UHFFFAOYSA-N 0 3 298.368 -1.070 20 0 CAADHN O=C(Cn1nccn1)NC[C@@H]1CN(CCCO)CCCO1 ZINC001149781193 779783506 /nfs/dbraw/zinc/78/35/06/779783506.db2.gz NURCWDNQXWAXHY-GFCCVEGCSA-N 0 3 297.359 -1.132 20 0 CAADHN COCCN1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738676 779783517 /nfs/dbraw/zinc/78/35/17/779783517.db2.gz HDDWHLUHHKIRDA-NSHDSACASA-N 0 3 298.347 -1.473 20 0 CAADHN CC1(C)NC(=O)N(CC(=O)NCCNCC(N)=O)C1=O ZINC001149924558 779784217 /nfs/dbraw/zinc/78/42/17/779784217.db2.gz IUZLRKHDHSZECP-UHFFFAOYSA-N 0 3 285.304 -2.492 20 0 CAADHN C[C@H](NCCNC(=O)CN1C(=O)NC(C)(C)C1=O)C(N)=O ZINC001149925082 779784293 /nfs/dbraw/zinc/78/42/93/779784293.db2.gz OUNOMVKSQWZGNN-ZETCQYMHSA-N 0 3 299.331 -2.104 20 0 CAADHN O=C(CNC(=O)c1ccco1)NCCN[C@@H]1CCNC1=O ZINC001149885082 779784601 /nfs/dbraw/zinc/78/46/01/779784601.db2.gz VZINBKIHVFLCPB-SECBINFHSA-N 0 3 294.311 -1.396 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CNC(=O)c1ccco1 ZINC001149885138 779784944 /nfs/dbraw/zinc/78/49/44/779784944.db2.gz YAUFKSQYIMRNTR-UHFFFAOYSA-N 0 3 296.327 -1.197 20 0 CAADHN C[C@]1(C(=O)NC[C@@H]2CN(CCO)CCCO2)CNC(=O)C1 ZINC001150023925 779785007 /nfs/dbraw/zinc/78/50/07/779785007.db2.gz ZSHVYGDTLCVMNL-BXUZGUMPSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CNC(=O)c1ccco1 ZINC001149884924 779785168 /nfs/dbraw/zinc/78/51/68/779785168.db2.gz SPRUIUAUVPFVAT-VIFPVBQESA-N 0 3 296.327 -1.150 20 0 CAADHN Cn1nc(C(=O)NCCN[C@@H]2CCNC2=O)ccc1=O ZINC001150150626 779786629 /nfs/dbraw/zinc/78/66/29/779786629.db2.gz QKXHARFZNHIUSR-MRVPVSSYSA-N 0 3 279.300 -2.012 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001150130387 779786673 /nfs/dbraw/zinc/78/66/73/779786673.db2.gz PIIVKGYRDPLQSJ-QMMMGPOBSA-N 0 3 281.316 -1.636 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(=O)n(C)n1)C(=O)N(C)C ZINC001150130602 779786735 /nfs/dbraw/zinc/78/67/35/779786735.db2.gz UPHUKPKRDXBREG-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2ccc(=O)n(C)n2)C1=O ZINC001150137323 779786790 /nfs/dbraw/zinc/78/67/90/779786790.db2.gz MISUNONIEBFXAQ-JTQLQIEISA-N 0 3 293.327 -1.670 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccc(=O)n(C)n1 ZINC001150150002 779787210 /nfs/dbraw/zinc/78/72/10/779787210.db2.gz ICIWKUMCPCOSFW-UHFFFAOYSA-N 0 3 281.316 -1.764 20 0 CAADHN Cn1nc(C(=O)NCCN[C@@H]2CCCNC2=O)ccc1=O ZINC001150130208 779787239 /nfs/dbraw/zinc/78/72/39/779787239.db2.gz MQQCGMPIXNJMHL-SECBINFHSA-N 0 3 293.327 -1.622 20 0 CAADHN COCCN1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150218665 779787284 /nfs/dbraw/zinc/78/72/84/779787284.db2.gz IPHVAOCQNNQWRY-VIFPVBQESA-N 0 3 259.306 -1.675 20 0 CAADHN Cn1nc(C(=O)NCCNCC(=O)N2CCC2)ccc1=O ZINC001150141928 779787660 /nfs/dbraw/zinc/78/76/60/779787660.db2.gz LTXXKCVZZLDFJM-UHFFFAOYSA-N 0 3 293.327 -1.668 20 0 CAADHN COC[C@H](C)N1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150234370 779788187 /nfs/dbraw/zinc/78/81/87/779788187.db2.gz SEAMVEQREUOINX-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN CCOCCN1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150233901 779788262 /nfs/dbraw/zinc/78/82/62/779788262.db2.gz PYNAYSJQTBGJBW-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN O=C(Cn1cncn1)NCCNCC(=O)N1CCCC1 ZINC001150250050 779788508 /nfs/dbraw/zinc/78/85/08/779788508.db2.gz NCMBLNONVHLKBL-UHFFFAOYSA-N 0 3 280.332 -1.394 20 0 CAADHN O=C(Cn1cncn1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001150244162 779788758 /nfs/dbraw/zinc/78/87/58/779788758.db2.gz WYEBRJNKIOGJLC-MRVPVSSYSA-N 0 3 280.288 -2.211 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150243677 779788793 /nfs/dbraw/zinc/78/87/93/779788793.db2.gz IXFXVWLYVYIEOB-UHFFFAOYSA-N 0 3 269.265 -2.821 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)Cn2cncn2)C1=O ZINC001150243514 779788824 /nfs/dbraw/zinc/78/88/24/779788824.db2.gz ARKLVSBNQFHOQR-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1cncn1 ZINC001150243581 779788873 /nfs/dbraw/zinc/78/88/73/779788873.db2.gz DRCDMHDNYNDNPC-QMMMGPOBSA-N 0 3 254.294 -1.882 20 0 CAADHN Cn1cncc1CNCCNC(=O)Cn1cncn1 ZINC001150249853 779789009 /nfs/dbraw/zinc/78/90/09/779789009.db2.gz HFCYVILBCXYYLT-UHFFFAOYSA-N 0 3 263.305 -1.082 20 0 CAADHN CO[C@H](C)CN1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150220425 779789220 /nfs/dbraw/zinc/78/92/20/779789220.db2.gz WHZRAVHCCCBKLS-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1cncn1)C(N)=O ZINC001150243706 779789227 /nfs/dbraw/zinc/78/92/27/779789227.db2.gz JUCVNELOANRHMY-MRVPVSSYSA-N 0 3 254.294 -1.752 20 0 CAADHN O=C(Cn1cncn1)NCCN[C@H]1CCNC1=O ZINC001150260737 779789610 /nfs/dbraw/zinc/78/96/10/779789610.db2.gz GDHKVZWUOASFCZ-QMMMGPOBSA-N 0 3 252.278 -2.128 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150261950 779789809 /nfs/dbraw/zinc/78/98/09/779789809.db2.gz QBARMAWXJJGBSW-UHFFFAOYSA-N 0 3 298.347 -1.863 20 0 CAADHN CNC(=O)CNCCNC(=O)CCNC(=O)c1ccco1 ZINC001150284836 779789924 /nfs/dbraw/zinc/78/99/24/779789924.db2.gz IKHZXVFCGFRHHW-UHFFFAOYSA-N 0 3 296.327 -1.149 20 0 CAADHN C[C@H](NCCNC(=O)Cn1cncn1)C(=O)NC(N)=O ZINC001150250402 779790093 /nfs/dbraw/zinc/79/00/93/779790093.db2.gz VGLMBRADVQHEAF-ZETCQYMHSA-N 0 3 283.292 -2.433 20 0 CAADHN COC[C@H](OC)C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150283264 779790244 /nfs/dbraw/zinc/79/02/44/779790244.db2.gz SQMDFPJDRWJKTR-NEPJUHHUSA-N 0 3 290.360 -1.153 20 0 CAADHN Cn1cc(CNCCNC(=O)Cn2cncn2)cn1 ZINC001150250408 779790272 /nfs/dbraw/zinc/79/02/72/779790272.db2.gz VKPIJVOJWLUNJB-UHFFFAOYSA-N 0 3 263.305 -1.082 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150262374 779790363 /nfs/dbraw/zinc/79/03/63/779790363.db2.gz YIYPTYBULMOFQX-UHFFFAOYSA-N 0 3 282.348 -1.100 20 0 CAADHN O=C(Cn1cncn1)NCCNCC(=O)N1CCCCC1 ZINC001150250513 779790412 /nfs/dbraw/zinc/79/04/12/779790412.db2.gz ZRAKQTKFIHOISQ-UHFFFAOYSA-N 0 3 294.359 -1.004 20 0 CAADHN C[C@@H](O)CN1CCCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150254085 779790446 /nfs/dbraw/zinc/79/04/46/779790446.db2.gz KHCOPJDCUMQIRU-GHMZBOCLSA-N 0 3 299.371 -1.160 20 0 CAADHN O=C(Cn1cncn1)NCCNCC(=O)N1CCC1 ZINC001150250379 779790476 /nfs/dbraw/zinc/79/04/76/779790476.db2.gz UORKNCZNNXCRJP-UHFFFAOYSA-N 0 3 266.305 -1.784 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)Cn1cncn1 ZINC001150260103 779790490 /nfs/dbraw/zinc/79/04/90/779790490.db2.gz CLWSQRFMIXHNMP-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN CN1CC(=O)N(CC(=O)NCCNCC(N)=O)C1=O ZINC001150330735 779791299 /nfs/dbraw/zinc/79/12/99/779791299.db2.gz CLLTVZHABBEFBJ-UHFFFAOYSA-N 0 3 271.277 -2.929 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NCCNC/C=C\Cl ZINC001150339686 779791367 /nfs/dbraw/zinc/79/13/67/779791367.db2.gz RMUKZCXFSOSXTH-UPHRSURJSA-N 0 3 274.708 -1.004 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NCCNCc1cccnc1 ZINC001150345520 779791475 /nfs/dbraw/zinc/79/14/75/779791475.db2.gz WDRIVDGTHZFDOX-UHFFFAOYSA-N 0 3 291.311 -1.161 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001150338958 779791684 /nfs/dbraw/zinc/79/16/84/779791684.db2.gz HENMLZCIOQQLND-SSDOTTSWSA-N 0 3 285.304 -2.492 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1C(=O)CNC1=O ZINC001150339930 779791563 /nfs/dbraw/zinc/79/15/63/779791563.db2.gz TUZIVJPZYMNMEQ-ZETCQYMHSA-N 0 3 285.304 -2.622 20 0 CAADHN CN1CC(=O)N(CC(=O)NCCN[C@H]2CCNC2=O)C1=O ZINC001150332019 779791596 /nfs/dbraw/zinc/79/15/96/779791596.db2.gz QJIZPJLCYBWPTN-QMMMGPOBSA-N 0 3 297.315 -2.525 20 0 CAADHN C[C@H](NCCNC(=O)CN1C(=O)CNC1=O)C(=O)N(C)C ZINC001150340122 779791668 /nfs/dbraw/zinc/79/16/68/779791668.db2.gz XNCFEIIKAMVRPK-QMMMGPOBSA-N 0 3 299.331 -2.279 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NCCN[C@@H]1CCNC1=O ZINC001150331190 779791874 /nfs/dbraw/zinc/79/18/74/779791874.db2.gz ILLILNJNEHQSTD-SSDOTTSWSA-N 0 3 283.288 -2.868 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NCCNC/C=C/Cl ZINC001150339685 779791926 /nfs/dbraw/zinc/79/19/26/779791926.db2.gz RMUKZCXFSOSXTH-OWOJBTEDSA-N 0 3 274.708 -1.004 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CN1C(=O)CNC1=O ZINC001150345268 779791959 /nfs/dbraw/zinc/79/19/59/779791959.db2.gz PQHQUMFHLVZNOQ-UHFFFAOYSA-N 0 3 299.331 -2.278 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001150349804 779792160 /nfs/dbraw/zinc/79/21/60/779792160.db2.gz HLIPSALWJCZTKZ-QMMMGPOBSA-N 0 3 299.331 -2.279 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)NCCN[C@H]1CCNC1=O ZINC001150400035 779792902 /nfs/dbraw/zinc/79/29/02/779792902.db2.gz LBRZSZHWUWCSTJ-JGVFFNPUSA-N 0 3 297.315 -2.431 20 0 CAADHN NC(=O)CN1CCCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001150373684 779792947 /nfs/dbraw/zinc/79/29/47/779792947.db2.gz ZULMNTSYOINESZ-LLVKDONJSA-N 0 3 295.343 -1.355 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)NCCN[C@H]1CCNC1=O ZINC001150400038 779793154 /nfs/dbraw/zinc/79/31/54/779793154.db2.gz LBRZSZHWUWCSTJ-YUMQZZPRSA-N 0 3 297.315 -2.431 20 0 CAADHN NC(=O)CN1CCCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001150373685 779793179 /nfs/dbraw/zinc/79/31/79/779793179.db2.gz ZULMNTSYOINESZ-NSHDSACASA-N 0 3 295.343 -1.355 20 0 CAADHN NC(=O)CNCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150401429 779793224 /nfs/dbraw/zinc/79/32/24/779793224.db2.gz WYWKSRYWOUHYMU-ZCFIWIBFSA-N 0 3 271.277 -2.834 20 0 CAADHN C[C@@H](NCCNC(=O)CC[C@H]1NC(=O)NC1=O)C(N)=O ZINC001150401173 779793239 /nfs/dbraw/zinc/79/32/39/779793239.db2.gz WDOUWBJUKIGOHA-RNFRBKRXSA-N 0 3 285.304 -2.446 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)CCNC(N)=O ZINC001150415021 779793452 /nfs/dbraw/zinc/79/34/52/779793452.db2.gz RBGDORWHORLRAG-UHFFFAOYSA-N 0 3 299.375 -1.381 20 0 CAADHN C[C@@H](NCCNC(=O)CN1C(=O)CCC1=O)C(N)=O ZINC001150466181 779795377 /nfs/dbraw/zinc/79/53/77/779795377.db2.gz JKMKEYRPTWIKRY-SSDOTTSWSA-N 0 3 270.289 -2.285 20 0 CAADHN NC(=O)c1nccnc1C(=O)NCCN[C@H]1CCNC1=O ZINC001150450865 779795415 /nfs/dbraw/zinc/79/54/15/779795415.db2.gz WNZJYZGCWXNGQE-ZETCQYMHSA-N 0 3 292.299 -2.217 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1CC1 ZINC000130495780 779795534 /nfs/dbraw/zinc/79/55/34/779795534.db2.gz GROCLLIFGLBDQV-SSDOTTSWSA-N 0 3 256.306 -1.054 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1nccnc1C(N)=O ZINC001150450317 779795981 /nfs/dbraw/zinc/79/59/81/779795981.db2.gz IIDLOXKWWHWCGT-UHFFFAOYSA-N 0 3 294.315 -1.969 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H]2CN(CCO)CCCO2)CC1 ZINC001150444019 779796003 /nfs/dbraw/zinc/79/60/03/779796003.db2.gz BUYAGYMGFMCCRT-NSHDSACASA-N 0 3 299.371 -1.288 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CN2C(=O)CCC2=O)C1=O ZINC001150467816 779796018 /nfs/dbraw/zinc/79/60/18/779796018.db2.gz WKMYBNNRZWZKAH-VIFPVBQESA-N 0 3 296.327 -1.928 20 0 CAADHN O=C(Cn1ccccc1=O)NCCN[C@H]1CCNC1=O ZINC001150597632 779796761 /nfs/dbraw/zinc/79/67/61/779796761.db2.gz PHJNHHQOVBARFK-JTQLQIEISA-N 0 3 278.312 -1.557 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1ccccc1=O ZINC001150590305 779796888 /nfs/dbraw/zinc/79/68/88/779796888.db2.gz QYQHACSCHLCJQL-UHFFFAOYSA-N 0 3 280.328 -1.310 20 0 CAADHN C[C@@H](NCCNC(=O)C1CCN(C(N)=O)CC1)C(N)=O ZINC001150517576 779796981 /nfs/dbraw/zinc/79/69/81/779796981.db2.gz MMJRFIUZOUDONK-MRVPVSSYSA-N 0 3 285.348 -1.643 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1ccccc1=O)C(N)=O ZINC001150597965 779797128 /nfs/dbraw/zinc/79/71/28/779797128.db2.gz UQXMWSBZOFOBJB-SECBINFHSA-N 0 3 266.301 -1.572 20 0 CAADHN NC(=O)CNCCNC(=O)CCCN1C(=O)CNC1=O ZINC001150533537 779797159 /nfs/dbraw/zinc/79/71/59/779797159.db2.gz XASHRDMEAVKOCE-UHFFFAOYSA-N 0 3 285.304 -2.491 20 0 CAADHN CC(=O)N1CCC(C(=O)NCCN[C@H](C)C(N)=O)CC1 ZINC001150525007 779797604 /nfs/dbraw/zinc/79/76/04/779797604.db2.gz AWOWVCJUYVAXLP-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)Cn2ccccc2=O)C1=O ZINC001150603141 779797710 /nfs/dbraw/zinc/79/77/10/779797710.db2.gz CJMFPFQAHDFPQO-LLVKDONJSA-N 0 3 292.339 -1.215 20 0 CAADHN Cc1csc(=O)n1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001150793779 779798550 /nfs/dbraw/zinc/79/85/50/779798550.db2.gz IDXLPAABKAZQIQ-SECBINFHSA-N 0 3 298.368 -1.187 20 0 CAADHN C[C@@H](O)CN1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150699829 779798781 /nfs/dbraw/zinc/79/87/81/779798781.db2.gz NZFQBIINRYMLAO-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC001150647538 779798800 /nfs/dbraw/zinc/79/88/00/779798800.db2.gz QLHJGBHXRPCRQX-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN Cc1csc(=O)n1CC(=O)NCCN[C@H](C)C(N)=O ZINC001150788551 779798817 /nfs/dbraw/zinc/79/88/17/779798817.db2.gz JPGSHNOXFGAENK-MRVPVSSYSA-N 0 3 286.357 -1.202 20 0 CAADHN O=C(Cn1cncn1)NC[C@H]1CN(CCO)CCCO1 ZINC001150676930 779798971 /nfs/dbraw/zinc/79/89/71/779798971.db2.gz BZTPZVCNDKUQRE-NSHDSACASA-N 0 3 283.332 -1.523 20 0 CAADHN Cc1csc(=O)n1CC(=O)NCCNCC(N)=O ZINC001150793820 779799203 /nfs/dbraw/zinc/79/92/03/779799203.db2.gz KTRIEOGSNSOONG-UHFFFAOYSA-N 0 3 272.330 -1.591 20 0 CAADHN C[C@H](O)CN1CCCO[C@H](CNC(=O)Cn2cncn2)C1 ZINC001150699826 779799448 /nfs/dbraw/zinc/79/94/48/779799448.db2.gz NZFQBIINRYMLAO-NWDGAFQWSA-N 0 3 297.359 -1.134 20 0 CAADHN C[C@H](O)CN1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150699827 779799614 /nfs/dbraw/zinc/79/96/14/779799614.db2.gz NZFQBIINRYMLAO-RYUDHWBXSA-N 0 3 297.359 -1.134 20 0 CAADHN NC(=O)CNCCNC(=O)CCCNC(=O)c1ccco1 ZINC001150812269 779799682 /nfs/dbraw/zinc/79/96/82/779799682.db2.gz DHCGTTWLUGUZHT-UHFFFAOYSA-N 0 3 296.327 -1.019 20 0 CAADHN CCCn1nc(C(=O)NCCN[C@@H](C)C(N)=O)ccc1=O ZINC001150677112 779799697 /nfs/dbraw/zinc/79/96/97/779799697.db2.gz HPMSUNATLDRZJU-VIFPVBQESA-N 0 3 295.343 -1.154 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150984317 779799945 /nfs/dbraw/zinc/79/99/45/779799945.db2.gz QSAHSRFGWGVGHB-ZETCQYMHSA-N 0 3 297.315 -2.060 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)C(C)(C)C ZINC001150845015 779799971 /nfs/dbraw/zinc/79/99/71/779799971.db2.gz WYFDFVWILACAAN-SECBINFHSA-N 0 3 286.376 -1.011 20 0 CAADHN CC(C)(C)C(=O)NCC(=O)NCCN[C@@H]1CCNC1=O ZINC001150839692 779800093 /nfs/dbraw/zinc/80/00/93/779800093.db2.gz KRTWRFXBULVSPF-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150978235 779800346 /nfs/dbraw/zinc/80/03/46/779800346.db2.gz PIXOJJKGQNVKFE-UHFFFAOYSA-N 0 3 297.315 -2.059 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CNC(=O)C(C)(C)C ZINC001150845016 779800556 /nfs/dbraw/zinc/80/05/56/779800556.db2.gz WYFDFVWILACAAN-VIFPVBQESA-N 0 3 286.376 -1.011 20 0 CAADHN Cc1noc(CCCC(=O)NCCNCC(N)=O)n1 ZINC001150943966 779800820 /nfs/dbraw/zinc/80/08/20/779800820.db2.gz ZOLRVFURLUILIW-UHFFFAOYSA-N 0 3 269.305 -1.108 20 0 CAADHN CC(C)(C)C(=O)NCC(=O)NCCN[C@H]1CCNC1=O ZINC001150839693 779801172 /nfs/dbraw/zinc/80/11/72/779801172.db2.gz KRTWRFXBULVSPF-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](NCCNC(=O)Cc1nc2ncccn2n1)C(N)=O ZINC001151044024 779802331 /nfs/dbraw/zinc/80/23/31/779802331.db2.gz LISREVRVWHUWKJ-QMMMGPOBSA-N 0 3 291.315 -1.754 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1nc2ncccn2n1 ZINC001151049651 779803228 /nfs/dbraw/zinc/80/32/28/779803228.db2.gz VPKFPVHCSBVICZ-UHFFFAOYSA-N 0 3 291.315 -1.881 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccn(C)n1 ZINC001151084984 779804372 /nfs/dbraw/zinc/80/43/72/779804372.db2.gz WLSUJPZZTNPNJD-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccn(C)n1 ZINC001151081165 779804438 /nfs/dbraw/zinc/80/44/38/779804438.db2.gz TXKPSBSJAVHTPR-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN Cn1ccc(C(=O)NCCNCCNS(C)(=O)=O)n1 ZINC001151080610 779804573 /nfs/dbraw/zinc/80/45/73/779804573.db2.gz LJWQJBLLEYILKJ-UHFFFAOYSA-N 0 3 289.361 -1.711 20 0 CAADHN Cn1ccc(C(=O)NCCN[C@@H]2CCN(C)C2=O)n1 ZINC001151081311 779805080 /nfs/dbraw/zinc/80/50/80/779805080.db2.gz ZKFQWCLXVKBYAM-SNVBAGLBSA-N 0 3 265.317 -1.030 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccn(C)n1 ZINC001151081166 779805179 /nfs/dbraw/zinc/80/51/79/779805179.db2.gz TXKPSBSJAVHTPR-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccn(C)n1 ZINC001151080612 779805227 /nfs/dbraw/zinc/80/52/27/779805227.db2.gz LLLVFRXXNQLAAB-UHFFFAOYSA-N 0 3 253.306 -1.172 20 0 CAADHN Cn1ccc(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001151089720 779805266 /nfs/dbraw/zinc/80/52/66/779805266.db2.gz UKYOBHPBHIBPPX-QMMMGPOBSA-N 0 3 251.290 -1.372 20 0 CAADHN Cc1nccn1CC(=O)NCCNCC(=O)NC(N)=O ZINC001151122264 779805294 /nfs/dbraw/zinc/80/52/94/779805294.db2.gz PZYFRQNANNFNMF-UHFFFAOYSA-N 0 3 282.304 -1.908 20 0 CAADHN Cc1nccn1CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001151147769 779805437 /nfs/dbraw/zinc/80/54/37/779805437.db2.gz VLOIQZBPUYHUDA-QMMMGPOBSA-N 0 3 296.331 -1.519 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2c[nH]c(C(N)=O)c2)C1=O ZINC001151185535 779805895 /nfs/dbraw/zinc/80/58/95/779805895.db2.gz YEWOQDJAUAKGPB-VIFPVBQESA-N 0 3 293.327 -1.336 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NCCN[C@H]1CCNC1=O ZINC001151157952 779805929 /nfs/dbraw/zinc/80/59/29/779805929.db2.gz NQDZUGBPEDGPNE-NEPJUHHUSA-N 0 3 298.387 -1.451 20 0 CAADHN NC(=O)CNCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151174655 779806100 /nfs/dbraw/zinc/80/61/00/779806100.db2.gz XIHMQLDNIVYNQK-UHFFFAOYSA-N 0 3 253.262 -2.082 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)NCCNCC(N)=O ZINC001151156801 779806475 /nfs/dbraw/zinc/80/64/75/779806475.db2.gz HDGPIVOFYVEWTI-JTQLQIEISA-N 0 3 272.349 -1.854 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NCCN[C@@H]1CCNC1=O ZINC001151157955 779806655 /nfs/dbraw/zinc/80/66/55/779806655.db2.gz NQDZUGBPEDGPNE-VXGBXAGGSA-N 0 3 298.387 -1.451 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCCOC1 ZINC001151279043 779807838 /nfs/dbraw/zinc/80/78/38/779807838.db2.gz DNSJOIFTOBJMPE-VIFPVBQESA-N 0 3 286.332 -1.296 20 0 CAADHN CC[C@@H](C)C(=O)NCC(=O)NCCN[C@@H](C)C(N)=O ZINC001151345693 779808475 /nfs/dbraw/zinc/80/84/75/779808475.db2.gz IGOKPOXRYDUVMU-BDAKNGLRSA-N 0 3 272.349 -1.272 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNC(=O)[C@H](C)CC ZINC001151367167 779808605 /nfs/dbraw/zinc/80/86/05/779808605.db2.gz ZAHZXNSUQNDXFB-SNVBAGLBSA-N 0 3 286.376 -1.009 20 0 CAADHN Cc1nccc(C(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001151324136 779808698 /nfs/dbraw/zinc/80/86/98/779808698.db2.gz HUTYQBSGKQHGEG-SSDOTTSWSA-N 0 3 251.290 -1.022 20 0 CAADHN C[C@@H](NCCNC(=O)CCN1CCCC1=O)C(N)=O ZINC001151354656 779809009 /nfs/dbraw/zinc/80/90/09/779809009.db2.gz ORYWKRYGZCSFHU-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN Cc1nccc(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001151324321 779809280 /nfs/dbraw/zinc/80/92/80/779809280.db2.gz JOVAUUHWIJJYCL-SECBINFHSA-N 0 3 263.301 -1.007 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCNCc1ccnn1C ZINC001151372976 779809309 /nfs/dbraw/zinc/80/93/09/779809309.db2.gz HZUMYGBVKMKBSM-UHFFFAOYSA-N 0 3 289.361 -1.825 20 0 CAADHN CC[C@@H](C)C(=O)NCC(=O)NCCNCC(=O)N(C)C ZINC001151366507 779809370 /nfs/dbraw/zinc/80/93/70/779809370.db2.gz OBWSVWQAYZLLEB-SNVBAGLBSA-N 0 3 286.376 -1.057 20 0 CAADHN Cc1nccc(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001151324323 779809510 /nfs/dbraw/zinc/80/95/10/779809510.db2.gz JOVAUUHWIJJYCL-VIFPVBQESA-N 0 3 263.301 -1.007 20 0 CAADHN CC[C@@H](C)C(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001151373789 779810073 /nfs/dbraw/zinc/81/00/73/779810073.db2.gz XMAAJZZGNKAFOW-ZJUUUORDSA-N 0 3 286.376 -1.011 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCNCC(=O)N1CCC1 ZINC001151373623 779810167 /nfs/dbraw/zinc/81/01/67/779810167.db2.gz RQGUKIKFSWYUID-UHFFFAOYSA-N 0 3 292.361 -2.526 20 0 CAADHN CC[C@H](C)C(=O)NCC(=O)NCCN[C@H](C)C(=O)NC ZINC001151373788 779810233 /nfs/dbraw/zinc/81/02/33/779810233.db2.gz XMAAJZZGNKAFOW-VHSXEESVSA-N 0 3 286.376 -1.011 20 0 CAADHN COCC[C@@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001151506275 779811388 /nfs/dbraw/zinc/81/13/88/779811388.db2.gz QKSDCEFOZUPMMF-SNVBAGLBSA-N 0 3 295.405 -1.086 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1COCCN1C(C)=O ZINC001151585864 779811512 /nfs/dbraw/zinc/81/15/12/779811512.db2.gz FOQZOAIBXMICFJ-JTQLQIEISA-N 0 3 286.332 -2.315 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001151586793 779811670 /nfs/dbraw/zinc/81/16/70/779811670.db2.gz MWUQEQFTWCAIAK-WPRPVWTQSA-N 0 3 286.332 -2.187 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)NCCNCCF ZINC001151585326 779812061 /nfs/dbraw/zinc/81/20/61/779812061.db2.gz BZNKJTJCZFIBFT-JTQLQIEISA-N 0 3 261.297 -1.091 20 0 CAADHN COCC[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001151530356 779812116 /nfs/dbraw/zinc/81/21/16/779812116.db2.gz UFZBQPWZHSHFGG-RKDXNWHRSA-N 0 3 288.348 -1.052 20 0 CAADHN CC[C@H](C(=O)NCCN[C@@H]1CCNC1=O)N1CCCC1=O ZINC001151529355 779812233 /nfs/dbraw/zinc/81/22/33/779812233.db2.gz GKHGMQIZKYWWPT-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)CNCCNC(=O)CCNC(=O)c1cnccn1 ZINC001151512594 779812250 /nfs/dbraw/zinc/81/22/50/779812250.db2.gz UGGGIEJIMRMVDZ-UHFFFAOYSA-N 0 3 294.315 -2.212 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCCS1(=O)=O)C(N)=O ZINC001151684105 779812762 /nfs/dbraw/zinc/81/27/62/779812762.db2.gz ILXWMOGKUNGIOS-DTWKUNHWSA-N 0 3 291.373 -1.467 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCCS1(=O)=O)C(N)=O ZINC001151684103 779813123 /nfs/dbraw/zinc/81/31/23/779813123.db2.gz ILXWMOGKUNGIOS-BDAKNGLRSA-N 0 3 291.373 -1.467 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1noc2c1COCC2 ZINC001151693923 779813143 /nfs/dbraw/zinc/81/31/43/779813143.db2.gz XYEAEWVSLIXYQJ-VIFPVBQESA-N 0 3 294.311 -1.045 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCCS1(=O)=O)C(N)=O ZINC001151684106 779813342 /nfs/dbraw/zinc/81/33/42/779813342.db2.gz ILXWMOGKUNGIOS-IUCAKERBSA-N 0 3 291.373 -1.467 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCCS1(=O)=O)C(N)=O ZINC001151684108 779813495 /nfs/dbraw/zinc/81/34/95/779813495.db2.gz ILXWMOGKUNGIOS-RKDXNWHRSA-N 0 3 291.373 -1.467 20 0 CAADHN C[C@H](NCCNC(=O)Cc1nc(C2CC2)nn1C)C(N)=O ZINC001151723081 779813642 /nfs/dbraw/zinc/81/36/42/779813642.db2.gz IXEVTBGKSOSNNW-QMMMGPOBSA-N 0 3 294.359 -1.185 20 0 CAADHN C[C@H](NC(=O)c1ccco1)C(=O)NCCNCC(N)=O ZINC001151658636 779813817 /nfs/dbraw/zinc/81/38/17/779813817.db2.gz ABFROPOEOXMCHB-QMMMGPOBSA-N 0 3 282.300 -1.411 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CN(CC)CCO1)C(N)=O ZINC001151740251 779814270 /nfs/dbraw/zinc/81/42/70/779814270.db2.gz QZMNSTSCVAHRPN-QWRGUYRKSA-N 0 3 286.376 -1.323 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN[C@H](C)C(=O)NC)C1 ZINC001151740488 779815319 /nfs/dbraw/zinc/81/53/19/779815319.db2.gz UQHDZBMPJUFLDG-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCNCC(=O)NC)C1 ZINC001151739856 779816230 /nfs/dbraw/zinc/81/62/30/779816230.db2.gz ODIZNUBKXCCJTB-SNVBAGLBSA-N 0 3 272.349 -1.841 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cccnc1C(N)=O ZINC001151958820 779816846 /nfs/dbraw/zinc/81/68/46/779816846.db2.gz SRDVVSVOKQJWEQ-UHFFFAOYSA-N 0 3 279.300 -1.754 20 0 CAADHN CC[C@H](C)[C@H](NC(C)=O)C(=O)NCCNCC(=O)NC ZINC001151876333 779817079 /nfs/dbraw/zinc/81/70/79/779817079.db2.gz GABWUWNMZQUDDJ-CABZTGNLSA-N 0 3 286.376 -1.011 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cccnc1C(N)=O)C(N)=O ZINC001151967475 779817195 /nfs/dbraw/zinc/81/71/95/779817195.db2.gz OSQIVVXPCIBPCX-SECBINFHSA-N 0 3 293.327 -1.236 20 0 CAADHN CC[C@H](C)[C@H](NC(C)=O)C(=O)NCCNCC(N)=O ZINC001151877203 779817634 /nfs/dbraw/zinc/81/76/34/779817634.db2.gz PWWABUIGIWFHOZ-KWQFWETISA-N 0 3 272.349 -1.272 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)c1ccccn1)C(N)=O ZINC001152067267 779818136 /nfs/dbraw/zinc/81/81/36/779818136.db2.gz QJCLCSVNKBSUFG-VIFPVBQESA-N 0 3 293.327 -1.609 20 0 CAADHN CCN(CC)C(=O)CCC(=O)NCCNCC(N)=O ZINC001151981019 779818172 /nfs/dbraw/zinc/81/81/72/779818172.db2.gz MEXAMHHSHDJGNM-UHFFFAOYSA-N 0 3 272.349 -1.174 20 0 CAADHN C[C@@H](NCCNC(=O)CCS(=O)(=O)N(C)C)C(N)=O ZINC001152084547 779818255 /nfs/dbraw/zinc/81/82/55/779818255.db2.gz RBYJPWJWKMATAV-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cccnc1C(N)=O ZINC001151967999 779818442 /nfs/dbraw/zinc/81/84/42/779818442.db2.gz XPNGLGAEYZQXCZ-UHFFFAOYSA-N 0 3 293.327 -1.364 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)c1ccccn1)C(N)=O ZINC001152067261 779818650 /nfs/dbraw/zinc/81/86/50/779818650.db2.gz QJCLCSVNKBSUFG-SECBINFHSA-N 0 3 293.327 -1.609 20 0 CAADHN C[C@H](NCCNC(=O)CCc1cnn(C)c1)C(N)=O ZINC001152208618 779819422 /nfs/dbraw/zinc/81/94/22/779819422.db2.gz ONSMDXYILWTCKS-VIFPVBQESA-N 0 3 267.333 -1.068 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152149072 779819669 /nfs/dbraw/zinc/81/96/69/779819669.db2.gz UDMSXMRYYPOGQF-VIFPVBQESA-N 0 3 280.332 -1.708 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)N1CCCCC1=O)C(N)=O ZINC001152169842 779819719 /nfs/dbraw/zinc/81/97/19/779819719.db2.gz NWBJMZROPAJWPF-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCc2nncn2C1)C(N)=O ZINC001152156635 779819896 /nfs/dbraw/zinc/81/98/96/779819896.db2.gz POZWJDMQQMCEIZ-UWVGGRQHSA-N 0 3 294.359 -1.190 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H]1CCNC1=O)N1CCCCC1=O ZINC001152167997 779820165 /nfs/dbraw/zinc/82/01/65/779820165.db2.gz BQMMGBFQKSKCEL-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCc2nncn2C1)C(N)=O ZINC001152156638 779820188 /nfs/dbraw/zinc/82/01/88/779820188.db2.gz POZWJDMQQMCEIZ-ZJUUUORDSA-N 0 3 294.359 -1.190 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)N1CCCCC1=O ZINC001152162480 779820203 /nfs/dbraw/zinc/82/02/03/779820203.db2.gz XAZMBWBWSCPXAO-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCCC(=O)N1CCC[C@H]1C(=O)NCCNCC(N)=O ZINC001152102930 779820334 /nfs/dbraw/zinc/82/03/34/779820334.db2.gz QZWDLEUDELYLLY-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CCOCCO[C@@H](C)C(=O)NCCNCC(=O)NC ZINC001152196144 779820363 /nfs/dbraw/zinc/82/03/63/779820363.db2.gz QIMHHEDGARRCJT-JTQLQIEISA-N 0 3 275.349 -1.120 20 0 CAADHN Cc1nnc2n1C[C@@H](C(=O)NCCN[C@H](C)C(N)=O)CC2 ZINC001152097663 779820494 /nfs/dbraw/zinc/82/04/94/779820494.db2.gz RXECZZXAQDSOEF-SCZZXKLOSA-N 0 3 294.359 -1.271 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCc2nncn2C1)C(N)=O ZINC001152156687 779820534 /nfs/dbraw/zinc/82/05/34/779820534.db2.gz PZRBUALURMXNID-RKDXNWHRSA-N 0 3 280.332 -1.580 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC ZINC001152282837 779821053 /nfs/dbraw/zinc/82/10/53/779821053.db2.gz PTVHKLIHOMGBFP-QMMMGPOBSA-N 0 3 287.364 -1.466 20 0 CAADHN CCNC(=O)CNCCNC(=O)C(C)(C)NC(=O)NC ZINC001152282913 779821154 /nfs/dbraw/zinc/82/11/54/779821154.db2.gz QYORIJJHNUZTNP-UHFFFAOYSA-N 0 3 287.364 -1.464 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCN[C@H](C)C(N)=O ZINC001152282655 779821241 /nfs/dbraw/zinc/82/12/41/779821241.db2.gz KYYIIYTZCWSGIB-SSDOTTSWSA-N 0 3 273.337 -1.726 20 0 CAADHN CC[C@H](NCCNC(=O)C(C)(C)NC(=O)NC)C(N)=O ZINC001152288106 779821330 /nfs/dbraw/zinc/82/13/30/779821330.db2.gz RVJIXYHSJRQWCV-QMMMGPOBSA-N 0 3 287.364 -1.336 20 0 CAADHN NC(=O)CNCCNC(=O)COc1cccc(C(N)=O)c1 ZINC001152254293 779821364 /nfs/dbraw/zinc/82/13/64/779821364.db2.gz DHQSUJPIBZINOW-UHFFFAOYSA-N 0 3 294.311 -1.645 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001152287890 779821586 /nfs/dbraw/zinc/82/15/86/779821586.db2.gz MTNUCERUXZKZHL-VIFPVBQESA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCN[C@H]1CCNC1=O ZINC001152282260 779822004 /nfs/dbraw/zinc/82/20/04/779822004.db2.gz DUXFFIDJYVFKQY-QMMMGPOBSA-N 0 3 285.348 -1.712 20 0 CAADHN O=C(CNC(=O)C1CCC1)NCCN[C@@H]1CCNC1=O ZINC001152304391 779822693 /nfs/dbraw/zinc/82/26/93/779822693.db2.gz WUFMPWOBISMAFM-SNVBAGLBSA-N 0 3 282.344 -1.503 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)C1CCC1 ZINC001152323651 779822802 /nfs/dbraw/zinc/82/28/02/779822802.db2.gz AHEKFZIQXLJXML-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CNC(=O)C1CCC1 ZINC001152304399 779822834 /nfs/dbraw/zinc/82/28/34/779822834.db2.gz XBDDWCACMKFIQR-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CNC(=O)C2CCC2)C1=O ZINC001152324341 779822939 /nfs/dbraw/zinc/82/29/39/779822939.db2.gz RDDYROSRKVUVHI-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](NCCNC(=O)CS(=O)(=O)CC)C(N)=O ZINC001152383208 779823026 /nfs/dbraw/zinc/82/30/26/779823026.db2.gz FFSNFOWWYJXJGT-MRVPVSSYSA-N 0 3 279.362 -1.609 20 0 CAADHN O=C(CNC(=O)C1CCC1)NCCN[C@H]1CCNC1=O ZINC001152304390 779823096 /nfs/dbraw/zinc/82/30/96/779823096.db2.gz WUFMPWOBISMAFM-JTQLQIEISA-N 0 3 282.344 -1.503 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414639 779824424 /nfs/dbraw/zinc/82/44/24/779824424.db2.gz GJMNRVLIMPPKPN-UHFFFAOYSA-N 0 3 297.319 -2.829 20 0 CAADHN CN(C)C(=O)Cn1cc(C(=O)NCCNCC(N)=O)nn1 ZINC001152420768 779824690 /nfs/dbraw/zinc/82/46/90/779824690.db2.gz IPTSTWODIYGKES-UHFFFAOYSA-N 0 3 297.319 -2.829 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC(=O)N(C)C1)C(N)=O ZINC001152509131 779826203 /nfs/dbraw/zinc/82/62/03/779826203.db2.gz QQFDDNHGPCPSMU-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CCOCCOCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001152502490 779826408 /nfs/dbraw/zinc/82/64/08/779826408.db2.gz ZTHXCKAKSQEAGU-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CC[C@H](NCCNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001152712669 779828263 /nfs/dbraw/zinc/82/82/63/779828263.db2.gz OSHHLUYYJACDQX-QMMMGPOBSA-N 0 3 283.332 -1.693 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001152699197 779828382 /nfs/dbraw/zinc/82/83/82/779828382.db2.gz QIANYMRGCDPZPJ-ZETCQYMHSA-N 0 3 269.305 -2.083 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1cn(C)c(=O)n1C ZINC001152691300 779828654 /nfs/dbraw/zinc/82/86/54/779828654.db2.gz JZZPAKWJOHPAOG-UHFFFAOYSA-N 0 3 297.359 -1.479 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCCNC2=O)n(C)c1=O ZINC001152699306 779829076 /nfs/dbraw/zinc/82/90/76/779829076.db2.gz WEFLETVSFNCALE-VIFPVBQESA-N 0 3 295.343 -1.678 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001152777936 779831184 /nfs/dbraw/zinc/83/11/84/779831184.db2.gz TYUKOGUCXUNVCK-SECBINFHSA-N 0 3 299.331 -2.102 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001152776842 779831763 /nfs/dbraw/zinc/83/17/63/779831763.db2.gz DWBGTQMGWCPUQZ-PSASIEDQSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1ccc(C(N)=O)cc1)C(N)=O ZINC001152964254 779834198 /nfs/dbraw/zinc/83/41/98/779834198.db2.gz WIHJLHJFIWPDHC-SECBINFHSA-N 0 3 292.339 -1.092 20 0 CAADHN CNC(=O)CCCCC(=O)NCCN[C@@H](C)C(N)=O ZINC001153058134 779834733 /nfs/dbraw/zinc/83/47/33/779834733.db2.gz JYMCEWSUFIIMLQ-VIFPVBQESA-N 0 3 272.349 -1.128 20 0 CAADHN COCCOCCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001153219063 779835564 /nfs/dbraw/zinc/83/55/64/779835564.db2.gz IYBVWXOQJUAERZ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@H](OC[C@@H]1CCCO1)C(=O)NCCNCC(N)=O ZINC001153176483 779835692 /nfs/dbraw/zinc/83/56/92/779835692.db2.gz LWRFYOVUDOZEPT-UWVGGRQHSA-N 0 3 273.333 -1.238 20 0 CAADHN COCCOCCC(=O)NCCNCC(=O)NC(N)=O ZINC001153218768 779835891 /nfs/dbraw/zinc/83/58/91/779835891.db2.gz HIQCDSYZSIDESG-UHFFFAOYSA-N 0 3 290.320 -2.060 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCOCCOC ZINC001153219747 779835910 /nfs/dbraw/zinc/83/59/10/779835910.db2.gz OFZXAMQUXUFMCK-JTQLQIEISA-N 0 3 275.349 -1.120 20 0 CAADHN COC(=O)NCC(=O)NCCN(C)CCOCCO ZINC001153233705 779837171 /nfs/dbraw/zinc/83/71/71/779837171.db2.gz SOLRKNAYOPIEOX-UHFFFAOYSA-N 0 3 277.321 -1.601 20 0 CAADHN C[C@@H]1OC(=O)N[C@H]1C(=O)NCCN(C)CCOCCO ZINC001153233670 779837056 /nfs/dbraw/zinc/83/70/56/779837056.db2.gz SAYVLRFGUDSPLC-VHSXEESVSA-N 0 3 289.332 -1.460 20 0 CAADHN CCCC[C@@H](NC(N)=O)C(=O)NCCNCC(=O)NC ZINC001153330852 779837085 /nfs/dbraw/zinc/83/70/85/779837085.db2.gz INCKPUBLVLHKHW-SECBINFHSA-N 0 3 287.364 -1.335 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCOCCOC ZINC001153219749 779837143 /nfs/dbraw/zinc/83/71/43/779837143.db2.gz OFZXAMQUXUFMCK-SNVBAGLBSA-N 0 3 275.349 -1.120 20 0 CAADHN CCCC[C@H](NC(N)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001153330733 779837402 /nfs/dbraw/zinc/83/74/02/779837402.db2.gz FNCNJBIUDISRRJ-ZJUUUORDSA-N 0 3 299.375 -1.192 20 0 CAADHN C[C@H]1OC(=O)N[C@@H]1C(=O)NCCN(C)CCOCCO ZINC001153233673 779837517 /nfs/dbraw/zinc/83/75/17/779837517.db2.gz SAYVLRFGUDSPLC-ZJUUUORDSA-N 0 3 289.332 -1.460 20 0 CAADHN NC(=O)CCCC(=O)NCCN[C@H]1CCCNC1=O ZINC001153456292 779838363 /nfs/dbraw/zinc/83/83/63/779838363.db2.gz WSHRIXNSCIIOJI-VIFPVBQESA-N 0 3 270.333 -1.374 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(C(N)=O)cn1)C(N)=O ZINC001153373105 779838427 /nfs/dbraw/zinc/83/84/27/779838427.db2.gz SQMAKGLQVKAAFP-ZETCQYMHSA-N 0 3 279.300 -1.626 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@H]2CCNC2=O)cn1 ZINC001153528520 779841065 /nfs/dbraw/zinc/84/10/65/779841065.db2.gz SNNVBNXOHRABCD-JTQLQIEISA-N 0 3 291.311 -1.612 20 0 CAADHN Cc1nonc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001153567720 779841723 /nfs/dbraw/zinc/84/17/23/779841723.db2.gz WUUIKNCBXOHCBY-SSDOTTSWSA-N 0 3 281.272 -1.497 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1nonc1C ZINC001153561871 779841737 /nfs/dbraw/zinc/84/17/37/779841737.db2.gz UKASGIZGOHTRCC-UHFFFAOYSA-N 0 3 255.278 -1.166 20 0 CAADHN Cc1nonc1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001153572596 779841769 /nfs/dbraw/zinc/84/17/69/779841769.db2.gz OMVODBPMITZCQD-QMMMGPOBSA-N 0 3 267.289 -1.072 20 0 CAADHN NC(=O)N1CCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001153585988 779841812 /nfs/dbraw/zinc/84/18/12/779841812.db2.gz FTUQOGYITHIFKE-UWVGGRQHSA-N 0 3 297.359 -1.486 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1nonc1C ZINC001153572217 779841861 /nfs/dbraw/zinc/84/18/61/779841861.db2.gz FEATUXHWWYHHFV-ZETCQYMHSA-N 0 3 255.278 -1.168 20 0 CAADHN Cc1nonc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001153567721 779841937 /nfs/dbraw/zinc/84/19/37/779841937.db2.gz WUUIKNCBXOHCBY-ZETCQYMHSA-N 0 3 281.272 -1.497 20 0 CAADHN Cc1nonc1C(=O)NCCNCCNS(C)(=O)=O ZINC001153572823 779842016 /nfs/dbraw/zinc/84/20/16/779842016.db2.gz UXDKPOMFOZKGIO-UHFFFAOYSA-N 0 3 291.333 -1.753 20 0 CAADHN Cc1nonc1C(=O)NCCN[C@H]1CCNC1=O ZINC001153567730 779842026 /nfs/dbraw/zinc/84/20/26/779842026.db2.gz XCZFBQJIDWWSBX-ZETCQYMHSA-N 0 3 253.262 -1.414 20 0 CAADHN NC(=O)N1CCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001153585989 779842506 /nfs/dbraw/zinc/84/25/06/779842506.db2.gz FTUQOGYITHIFKE-ZJUUUORDSA-N 0 3 297.359 -1.486 20 0 CAADHN CC[C@@H](NCCNC(=O)c1nonc1C)C(N)=O ZINC001153572285 779842638 /nfs/dbraw/zinc/84/26/38/779842638.db2.gz IBCYKBKTQRHRIP-SSDOTTSWSA-N 0 3 255.278 -1.039 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1nonc1C ZINC001153577887 779842725 /nfs/dbraw/zinc/84/27/25/779842725.db2.gz HZGYFPSYXINFOK-SSDOTTSWSA-N 0 3 298.303 -1.458 20 0 CAADHN Cc1nonc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001153578033 779842828 /nfs/dbraw/zinc/84/28/28/779842828.db2.gz JPYRUMIKUMNIRJ-LURJTMIESA-N 0 3 284.276 -1.719 20 0 CAADHN C[C@H](NCCNC(=O)COC[C@@H]1CCCO1)C(N)=O ZINC001153673850 779843206 /nfs/dbraw/zinc/84/32/06/779843206.db2.gz OUVZPEJUXUHKNN-UWVGGRQHSA-N 0 3 273.333 -1.238 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001153591651 779843629 /nfs/dbraw/zinc/84/36/29/779843629.db2.gz WBUBWYFMHNJUHC-IUCAKERBSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)CNCCNC(=O)CCNC(=O)CC(C)C ZINC001153605720 779843734 /nfs/dbraw/zinc/84/37/34/779843734.db2.gz NROSFVWLQLHLQK-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN O=C(COC[C@H]1CCCO1)NCCN[C@H]1CCNC1=O ZINC001153672693 779843775 /nfs/dbraw/zinc/84/37/75/779843775.db2.gz GDENHGNGXBZUCQ-MNOVXSKESA-N 0 3 285.344 -1.224 20 0 CAADHN COc1ncnc(OC)c1C(=O)NCCN[C@H](C)C(N)=O ZINC001153591176 779843821 /nfs/dbraw/zinc/84/38/21/779843821.db2.gz IUFOHEWNKOCTII-SSDOTTSWSA-N 0 3 297.315 -1.313 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153586401 779843873 /nfs/dbraw/zinc/84/38/73/779843873.db2.gz QODNIWMJJQWOTP-JTQLQIEISA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](NC(=O)C1CCC1)C(=O)NCCN[C@@H](C)C(N)=O ZINC001153692398 779844041 /nfs/dbraw/zinc/84/40/41/779844041.db2.gz JFERMTVIINCRMP-DTWKUNHWSA-N 0 3 284.360 -1.129 20 0 CAADHN O=C(COC[C@@H]1CCCO1)NCCN[C@H]1CCNC1=O ZINC001153672694 779844057 /nfs/dbraw/zinc/84/40/57/779844057.db2.gz GDENHGNGXBZUCQ-QWRGUYRKSA-N 0 3 285.344 -1.224 20 0 CAADHN COc1ncnc(OC)c1C(=O)NCCNCC(N)=O ZINC001153590957 779844096 /nfs/dbraw/zinc/84/40/96/779844096.db2.gz CTLMHPOFRBTAIY-UHFFFAOYSA-N 0 3 283.288 -1.702 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)NC(=O)C1CCC1)C(N)=O ZINC001153692401 779844222 /nfs/dbraw/zinc/84/42/22/779844222.db2.gz JFERMTVIINCRMP-RKDXNWHRSA-N 0 3 284.360 -1.129 20 0 CAADHN Cn1cc(CCC(=O)NCCNCC(=O)NC2CC2)nn1 ZINC001153762155 779844721 /nfs/dbraw/zinc/84/47/21/779844721.db2.gz VRVYINOYDYUDQB-UHFFFAOYSA-N 0 3 294.359 -1.268 20 0 CAADHN Cn1cc(CCC(=O)NCCNCC(N)=O)nn1 ZINC001153761160 779845120 /nfs/dbraw/zinc/84/51/20/779845120.db2.gz FSYNQWTURXQAAZ-UHFFFAOYSA-N 0 3 254.294 -2.061 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCc1cn(C)nn1 ZINC001153761067 779845149 /nfs/dbraw/zinc/84/51/49/779845149.db2.gz AEFDJTJIWRUBQM-UHFFFAOYSA-N 0 3 282.348 -1.410 20 0 CAADHN C[C@H](NCCNC(=O)CCc1cn(C)nn1)C(=O)N(C)C ZINC001153770403 779845204 /nfs/dbraw/zinc/84/52/04/779845204.db2.gz DPGJCGQLDPUHNX-JTQLQIEISA-N 0 3 296.375 -1.070 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CCc1cn(C)nn1 ZINC001153762341 779845658 /nfs/dbraw/zinc/84/56/58/779845658.db2.gz ZBRPBNBMWMSBRY-UHFFFAOYSA-N 0 3 296.375 -1.068 20 0 CAADHN CC(=O)N[C@H](C(=O)NCCNCC(N)=O)C(C)(C)C ZINC001153720222 779845727 /nfs/dbraw/zinc/84/57/27/779845727.db2.gz WVUIMYLRIIYSHU-SNVBAGLBSA-N 0 3 272.349 -1.272 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153789675 779846259 /nfs/dbraw/zinc/84/62/59/779846259.db2.gz DWAMQQKODAJWIJ-VIFPVBQESA-N 0 3 272.349 -1.414 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001153789674 779846445 /nfs/dbraw/zinc/84/64/45/779846445.db2.gz DWAMQQKODAJWIJ-SECBINFHSA-N 0 3 272.349 -1.414 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1[nH]cnc1C ZINC001153820850 779846621 /nfs/dbraw/zinc/84/66/21/779846621.db2.gz VZELPLMUXCFTEJ-UHFFFAOYSA-N 0 3 282.304 -1.507 20 0 CAADHN Cc1nc[nH]c1C(=O)NCCNCC(=O)NC(N)=O ZINC001153819952 779846664 /nfs/dbraw/zinc/84/66/64/779846664.db2.gz GZVPECTUJYASTJ-UHFFFAOYSA-N 0 3 268.277 -1.768 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153795765 779846967 /nfs/dbraw/zinc/84/69/67/779846967.db2.gz VNHGFDCXKNVDJJ-ZJUUUORDSA-N 0 3 286.376 -1.026 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153789816 779847018 /nfs/dbraw/zinc/84/70/18/779847018.db2.gz GDSIDFOASHVYFB-JTQLQIEISA-N 0 3 286.376 -1.024 20 0 CAADHN Cc1nc[nH]c1C(=O)NCCN[C@H]1CCNC1=O ZINC001153820341 779847297 /nfs/dbraw/zinc/84/72/97/779847297.db2.gz LZSOXDRKGBIMIG-QMMMGPOBSA-N 0 3 251.290 -1.074 20 0 CAADHN CC(C)C[C@H](C(N)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001153790349 779847323 /nfs/dbraw/zinc/84/73/23/779847323.db2.gz UALAZTFOUZRNNJ-NXEZZACHSA-N 0 3 284.360 -1.272 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001153795764 779847333 /nfs/dbraw/zinc/84/73/33/779847333.db2.gz VNHGFDCXKNVDJJ-VHSXEESVSA-N 0 3 286.376 -1.026 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)N1CCOCC1)C(N)=O ZINC001153841000 779847788 /nfs/dbraw/zinc/84/77/88/779847788.db2.gz POUNMLUVAGMLLL-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC1CC1)N1CCOCC1 ZINC001153841233 779847915 /nfs/dbraw/zinc/84/79/15/779847915.db2.gz QPNFKBLPPUIUJY-NSHDSACASA-N 0 3 298.387 -1.309 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CC12CCOCC2 ZINC001153860111 779847952 /nfs/dbraw/zinc/84/79/52/779847952.db2.gz ATQDWWKTKBLWRB-VIFPVBQESA-N 0 3 255.318 -1.006 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1[nH]cnc1C ZINC001153832298 779848255 /nfs/dbraw/zinc/84/82/55/779848255.db2.gz RGROSBNRRCNTEW-QMMMGPOBSA-N 0 3 296.331 -1.118 20 0 CAADHN Cc1nc[nH]c1C(=O)NCCNCCNS(C)(=O)=O ZINC001153831337 779848474 /nfs/dbraw/zinc/84/84/74/779848474.db2.gz CQJCOJBVXOZRDZ-UHFFFAOYSA-N 0 3 289.361 -1.413 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NCCN[C@H]1CCCNC1=O ZINC001153882539 779848445 /nfs/dbraw/zinc/84/84/45/779848445.db2.gz IPXIWNFIEGIDGT-BDAKNGLRSA-N 0 3 296.327 -1.976 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)N1CCC1)N1CCOCC1 ZINC001153840233 779848488 /nfs/dbraw/zinc/84/84/88/779848488.db2.gz ATRGQZLGNJSNPU-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CC(=O)NC1=O)C(N)=O ZINC001153883089 779849413 /nfs/dbraw/zinc/84/94/13/779849413.db2.gz VSKZROFWMOSBLT-NKWVEPMBSA-N 0 3 270.289 -2.381 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CC(=O)NC1=O)C(=O)N(C)C ZINC001153886423 779849566 /nfs/dbraw/zinc/84/95/66/779849566.db2.gz AWWCYHQGTZYFHV-IUCAKERBSA-N 0 3 298.343 -1.778 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@H]2CC(=O)NC2=O)C1=O ZINC001153887408 779849637 /nfs/dbraw/zinc/84/96/37/779849637.db2.gz UVMFITCXFFVIMY-IUCAKERBSA-N 0 3 296.327 -2.024 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153887319 779849710 /nfs/dbraw/zinc/84/97/10/779849710.db2.gz RWHPLWYAQNLEFO-SECBINFHSA-N 0 3 298.343 -1.777 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CC(=O)NC1=O)C(N)=O ZINC001153883091 779849739 /nfs/dbraw/zinc/84/97/39/779849739.db2.gz VSKZROFWMOSBLT-RQJHMYQMSA-N 0 3 270.289 -2.381 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153882863 779849901 /nfs/dbraw/zinc/84/99/01/779849901.db2.gz QDQWSAIAFDSKCT-LURJTMIESA-N 0 3 299.287 -3.060 20 0 CAADHN Cn1cncc1CNCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153887174 779849970 /nfs/dbraw/zinc/84/99/70/779849970.db2.gz PMWRNSPAJJABRI-VIFPVBQESA-N 0 3 293.327 -1.321 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153883216 779849975 /nfs/dbraw/zinc/84/99/75/779849975.db2.gz ZJIBOVFTHPPRHS-SECBINFHSA-N 0 3 298.343 -1.730 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@@H]2CC(=O)NC2=O)C1=O ZINC001153887409 779850003 /nfs/dbraw/zinc/85/00/03/779850003.db2.gz UVMFITCXFFVIMY-RKDXNWHRSA-N 0 3 296.327 -2.024 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@H]1CC(=O)NC1=O)C(N)=O ZINC001153886743 779850008 /nfs/dbraw/zinc/85/00/08/779850008.db2.gz ICWDOUFLPRRYDP-JGVFFNPUSA-N 0 3 284.316 -1.991 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153886836 779850018 /nfs/dbraw/zinc/85/00/18/779850018.db2.gz JVIHAIQGAFZTIY-JGVFFNPUSA-N 0 3 284.316 -2.121 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@@H]2CC(=O)NC2=O)C1=O ZINC001153887406 779850028 /nfs/dbraw/zinc/85/00/28/779850028.db2.gz UVMFITCXFFVIMY-BDAKNGLRSA-N 0 3 296.327 -2.024 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NCCN[C@@H]1CCNC1=O ZINC001153882850 779850046 /nfs/dbraw/zinc/85/00/46/779850046.db2.gz QALOQAZWGYCWDJ-HTQZYQBOSA-N 0 3 282.300 -2.367 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc(C(N)=O)ccn1)C(N)=O ZINC001153929502 779850756 /nfs/dbraw/zinc/85/07/56/779850756.db2.gz DGRXIDRDTIATCF-SSDOTTSWSA-N 0 3 279.300 -1.626 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cc(C(N)=O)ccn1)C(N)=O ZINC001153933811 779850580 /nfs/dbraw/zinc/85/05/80/779850580.db2.gz CFUPPDMTLRPKPW-SECBINFHSA-N 0 3 293.327 -1.236 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001153929614 779850708 /nfs/dbraw/zinc/85/07/08/779850708.db2.gz JHHVIWYCYZWGDL-UHFFFAOYSA-N 0 3 293.327 -1.412 20 0 CAADHN CCC(CC)C(=O)NCC(=O)NCCNCC(N)=O ZINC001153949137 779850987 /nfs/dbraw/zinc/85/09/87/779850987.db2.gz OXVRVAKAPFGZEN-UHFFFAOYSA-N 0 3 272.349 -1.270 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001153929469 779851024 /nfs/dbraw/zinc/85/10/24/779851024.db2.gz BKRZOEDYVMNCHQ-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN NC(=O)c1ccnc(C(=O)NCCN[C@H]2CCNC2=O)c1 ZINC001153929566 779851067 /nfs/dbraw/zinc/85/10/67/779851067.db2.gz HQEISBDRCMOHOK-VIFPVBQESA-N 0 3 291.311 -1.612 20 0 CAADHN Cn1nnc2cccc(C(=O)NCCNCC(N)=O)c21 ZINC001153900953 779851206 /nfs/dbraw/zinc/85/12/06/779851206.db2.gz OXKJLNVVCDKXLA-UHFFFAOYSA-N 0 3 276.300 -1.227 20 0 CAADHN Cn1nncc1CNCCCNC(=O)CNC(N)=O ZINC001154458208 779858998 /nfs/dbraw/zinc/85/89/98/779858998.db2.gz XTNQIGDIIGUQFS-UHFFFAOYSA-N 0 3 269.309 -1.921 20 0 CAADHN O=C(Cn1cnnn1)NCCCNCc1cnns1 ZINC001154505945 779861318 /nfs/dbraw/zinc/86/13/18/779861318.db2.gz AOLNINHTXLZHNX-UHFFFAOYSA-N 0 3 282.333 -1.179 20 0 CAADHN CCN(CCOCCO)[C@H](C)CNC(=O)C(N)=O ZINC001154952602 779867384 /nfs/dbraw/zinc/86/73/84/779867384.db2.gz HZNZKPLWRXULEP-SECBINFHSA-N 0 3 261.322 -1.693 20 0 CAADHN CN1CCC[C@@H]1C(=O)NCCCNCc1nnnn1C ZINC001155791603 779877552 /nfs/dbraw/zinc/87/75/52/779877552.db2.gz XRTZPRILACLRIL-SNVBAGLBSA-N 0 3 281.364 -1.100 20 0 CAADHN C[C@@H]1[C@H](NC(=O)c2cn(CC(N)=O)nn2)CCN1C ZINC001155894480 779879092 /nfs/dbraw/zinc/87/90/92/779879092.db2.gz VQSWNVQNYGIEER-HTQZYQBOSA-N 0 3 266.305 -1.414 20 0 CAADHN Cn1ccnc1CNCCCNC(=O)CC(N)=O ZINC001156006996 779880199 /nfs/dbraw/zinc/88/01/99/779880199.db2.gz UWMVXJHSGRCOSE-UHFFFAOYSA-N 0 3 253.306 -1.109 20 0 CAADHN Cn1nncc1CNCCCNC(=O)CC(N)=O ZINC001156012320 779881516 /nfs/dbraw/zinc/88/15/16/779881516.db2.gz WLRYOJQIECUSAZ-UHFFFAOYSA-N 0 3 254.294 -1.714 20 0 CAADHN COc1cncc(CNCCCNC(=O)CC(N)=O)n1 ZINC001156025515 779881591 /nfs/dbraw/zinc/88/15/91/779881591.db2.gz TWPGDBODDFQYAJ-UHFFFAOYSA-N 0 3 281.316 -1.044 20 0 CAADHN C[C@@H]([NH2+]CCCNC(=O)CCc1nnc[n-]1)C(N)=O ZINC001156336989 779884197 /nfs/dbraw/zinc/88/41/97/779884197.db2.gz WQYUNOADVDFDMB-MRVPVSSYSA-N 0 3 268.321 -1.293 20 0 CAADHN CCN(CC(=O)NC)[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001156289154 779884292 /nfs/dbraw/zinc/88/42/92/779884292.db2.gz NEQBDUBSENMLTO-SECBINFHSA-N 0 3 282.348 -1.080 20 0 CAADHN CN(c1cc(C(N)=O)ccn1)S(=O)(=O)CCN ZINC001156231626 779884821 /nfs/dbraw/zinc/88/48/21/779884821.db2.gz JVIYOJRNUZNFEY-UHFFFAOYSA-N 0 3 258.303 -1.095 20 0 CAADHN CN(c1cncc(-n2cncn2)n1)S(=O)(=O)CCN ZINC001156238686 779885048 /nfs/dbraw/zinc/88/50/48/779885048.db2.gz MNQDLYYIEZRFEY-UHFFFAOYSA-N 0 3 283.317 -1.218 20 0 CAADHN CN(c1ncccc1C(N)=O)S(=O)(=O)CCN ZINC001156231621 779885090 /nfs/dbraw/zinc/88/50/90/779885090.db2.gz JTORLGWKXIIZSM-UHFFFAOYSA-N 0 3 258.303 -1.095 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001156516523 779886751 /nfs/dbraw/zinc/88/67/51/779886751.db2.gz IMKYMAVCZDAGJE-JTQLQIEISA-N 0 3 294.359 -1.063 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@H]1COCCN1C ZINC001156798933 779889515 /nfs/dbraw/zinc/88/95/15/779889515.db2.gz GYYVXWKZVACUHD-GFCCVEGCSA-N 0 3 296.375 -1.258 20 0 CAADHN CCNC(=O)CC(=O)NCCCNCc1cnnn1C ZINC001156857350 779890217 /nfs/dbraw/zinc/89/02/17/779890217.db2.gz ODHPESPCSXHTLG-UHFFFAOYSA-N 0 3 282.348 -1.063 20 0 CAADHN CNC(=O)CC(=O)NCCCNCC(=O)Nc1ccon1 ZINC001157012190 779894092 /nfs/dbraw/zinc/89/40/92/779894092.db2.gz UWIASFLHGCSXNU-UHFFFAOYSA-N 0 3 297.315 -1.155 20 0 CAADHN O=C(Cn1cncn1)N1CC(N[C@@H]2CCOC2)C1 ZINC001157007379 779894254 /nfs/dbraw/zinc/89/42/54/779894254.db2.gz WKAQVAPCIYMQET-SECBINFHSA-N 0 3 251.290 -1.133 20 0 CAADHN CC(=O)N1CC(C(=O)NCCCNCc2cnnn2C)C1 ZINC001157116527 779896473 /nfs/dbraw/zinc/89/64/73/779896473.db2.gz HLFODZMOQUYUSR-UHFFFAOYSA-N 0 3 294.359 -1.111 20 0 CAADHN NCc1cc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)ncn1 ZINC001157276960 779898009 /nfs/dbraw/zinc/89/80/09/779898009.db2.gz ZWSRSQYBMQSGFH-IALJFVCMSA-N 0 3 254.290 -1.550 20 0 CAADHN OC[C@H]1C[C@@H](Nc2cc3c(nn2)CCNC3)[C@H](O)[C@@H]1O ZINC001157278906 779898041 /nfs/dbraw/zinc/89/80/41/779898041.db2.gz ODRFLTLCGZBEKI-DXLKZPDWSA-N 0 3 280.328 -1.363 20 0 CAADHN Cn1nncc1CNCCCNC(=O)c1cnnn1C ZINC001157353515 779901050 /nfs/dbraw/zinc/90/10/50/779901050.db2.gz CASJHEUHTADPSO-UHFFFAOYSA-N 0 3 278.320 -1.147 20 0 CAADHN Cc1cc(N(C(=N)N)C(=O)[C@@H]2CCCN2C(=O)CN)n[nH]1 ZINC001157439245 779902562 /nfs/dbraw/zinc/90/25/62/779902562.db2.gz BBNFXACSTIHAFP-QMMMGPOBSA-N 0 3 293.331 -1.106 20 0 CAADHN Cc1cc(N(C(=N)N)C(=O)[C@@H]2COC3(CNC3)CN2)n[nH]1 ZINC001157439899 779902613 /nfs/dbraw/zinc/90/26/13/779902613.db2.gz PPXLUJMOEOPBFN-QMMMGPOBSA-N 0 3 293.331 -1.725 20 0 CAADHN Cn1ccnc1CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001157423754 779902972 /nfs/dbraw/zinc/90/29/72/779902972.db2.gz UUDHIIVBVVFILQ-JTQLQIEISA-N 0 3 279.344 -1.591 20 0 CAADHN N=C(NC(=O)[C@@H]1CNCCN1)n1nnc2ccccc21 ZINC001157424474 779903472 /nfs/dbraw/zinc/90/34/72/779903472.db2.gz VCIUKDJDCXTHGJ-VIFPVBQESA-N 0 3 273.300 -1.108 20 0 CAADHN CNC(=O)C1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001157495323 779905517 /nfs/dbraw/zinc/90/55/17/779905517.db2.gz ISODKCPFKRNBOP-NSHDSACASA-N 0 3 296.371 -1.699 20 0 CAADHN CN1CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC1=O ZINC001157486287 779905612 /nfs/dbraw/zinc/90/56/12/779905612.db2.gz UWWPJAPLARTKJQ-VIFPVBQESA-N 0 3 251.290 -1.420 20 0 CAADHN CN1CCN(C(=O)[C@H](N)Cc2cnc[nH]2)CC1=O ZINC001157486285 779905668 /nfs/dbraw/zinc/90/56/68/779905668.db2.gz UWWPJAPLARTKJQ-SECBINFHSA-N 0 3 251.290 -1.420 20 0 CAADHN COC(=O)N1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001157507953 779906634 /nfs/dbraw/zinc/90/66/34/779906634.db2.gz MJINTFBVAJNGPP-JTQLQIEISA-N 0 3 298.343 -1.773 20 0 CAADHN CN(CCO)C[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001157510624 779906697 /nfs/dbraw/zinc/90/66/97/779906697.db2.gz WEMZLPBESZKTMT-LLVKDONJSA-N 0 3 282.348 -1.022 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CCn2cnnc2C1 ZINC001157507738 779906958 /nfs/dbraw/zinc/90/69/58/779906958.db2.gz LZRRCOVQTBAWLR-SECBINFHSA-N 0 3 261.289 -1.087 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CCn2cnnc2C1 ZINC001157507738 779906961 /nfs/dbraw/zinc/90/69/61/779906961.db2.gz LZRRCOVQTBAWLR-SECBINFHSA-N 0 3 261.289 -1.087 20 0 CAADHN COCC1CN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001157521274 779907072 /nfs/dbraw/zinc/90/70/72/779907072.db2.gz GBURNERNIRWJNY-SECBINFHSA-N 0 3 258.322 -1.133 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC(N2CC(F)C2)C1 ZINC001157527593 779907640 /nfs/dbraw/zinc/90/76/40/779907640.db2.gz NYUBWYJQSFJJCJ-NSHDSACASA-N 0 3 284.335 -1.819 20 0 CAADHN Nc1nc2c(ncn2CC(=O)N2C[C@@H](F)[C@@H](N)C2)c(=O)[nH]1 ZINC001157538593 779907723 /nfs/dbraw/zinc/90/77/23/779907723.db2.gz NKXQOVVQXDQDAK-RITPCOANSA-N 0 3 295.278 -1.378 20 0 CAADHN COCC1CN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001157522606 779907751 /nfs/dbraw/zinc/90/77/51/779907751.db2.gz VXZBPJVQNWFRRE-SNVBAGLBSA-N 0 3 255.318 -1.578 20 0 CAADHN COCC1CN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001157522605 779907768 /nfs/dbraw/zinc/90/77/68/779907768.db2.gz VXZBPJVQNWFRRE-JTQLQIEISA-N 0 3 255.318 -1.578 20 0 CAADHN N[C@H]1CN(C(=O)CC2CC(=O)NC(=O)C2)C[C@H]1F ZINC001157539043 779907845 /nfs/dbraw/zinc/90/78/45/779907845.db2.gz XXDSBEIRRKWGNY-SFYZADRCSA-N 0 3 257.265 -1.063 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CC(N2CC(F)C2)C1 ZINC001157527592 779908011 /nfs/dbraw/zinc/90/80/11/779908011.db2.gz NYUBWYJQSFJJCJ-LLVKDONJSA-N 0 3 284.335 -1.819 20 0 CAADHN N[C@H]1CN(C(=O)C[C@@H]2NC(=O)CNC2=O)C[C@H]1F ZINC001157538159 779908205 /nfs/dbraw/zinc/90/82/05/779908205.db2.gz IMBMCPURYIVVJU-VQVTYTSYSA-N 0 3 258.253 -2.501 20 0 CAADHN N[C@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C[C@H]1F ZINC001157535505 779908385 /nfs/dbraw/zinc/90/83/85/779908385.db2.gz AEVXDEPXDRBGOB-JDDHQFAOSA-N 0 3 260.265 -2.093 20 0 CAADHN CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157531815 779908468 /nfs/dbraw/zinc/90/84/68/779908468.db2.gz RLFVRVHMDZWNQF-OUAUKWLOSA-N 0 3 283.307 -1.036 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157544686 779908967 /nfs/dbraw/zinc/90/89/67/779908967.db2.gz HPUAYIGIRUJXQC-YWIQKCBGSA-N 0 3 262.285 -2.682 20 0 CAADHN COC(=O)[C@H]1CCN(CC(=O)N2C[C@@H](F)[C@@H](N)C2)C1 ZINC001157545379 779909019 /nfs/dbraw/zinc/90/90/19/779909019.db2.gz RWMBVKUYTZPWJK-AEJSXWLSSA-N 0 3 273.308 -1.011 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCOCC(F)(F)C1 ZINC001157707971 779910163 /nfs/dbraw/zinc/91/01/63/779910163.db2.gz CVRCTVDMJQZTOO-VIFPVBQESA-N 0 3 291.298 -1.189 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)CCCO1 ZINC001157703319 779910825 /nfs/dbraw/zinc/91/08/25/779910825.db2.gz NCCYKZPWFYETLY-MNOVXSKESA-N 0 3 269.345 -1.046 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCCO1 ZINC001157681688 779910907 /nfs/dbraw/zinc/91/09/07/779910907.db2.gz MDZYAVMDFRIWRH-YUMQZZPRSA-N 0 3 272.305 -1.752 20 0 CAADHN C[C@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)CCCO1 ZINC001157703321 779910998 /nfs/dbraw/zinc/91/09/98/779910998.db2.gz NCCYKZPWFYETLY-QWRGUYRKSA-N 0 3 269.345 -1.046 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157729872 779911819 /nfs/dbraw/zinc/91/18/19/779911819.db2.gz IPDNGRPYGFVHCQ-KXUCPTDWSA-N 0 3 290.339 -1.059 20 0 CAADHN C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N(C)C[C@H]1CNCCO1 ZINC001157721471 779911836 /nfs/dbraw/zinc/91/18/36/779911836.db2.gz YDAJEIIHLRQWCT-VSSNEEPJSA-N 0 3 299.371 -1.435 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157729871 779912290 /nfs/dbraw/zinc/91/22/90/779912290.db2.gz IPDNGRPYGFVHCQ-IVZWLZJFSA-N 0 3 290.339 -1.059 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157731095 779912375 /nfs/dbraw/zinc/91/23/75/779912375.db2.gz RIPKECGOELZSKL-DCAQKATOSA-N 0 3 287.335 -1.504 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157729097 779912553 /nfs/dbraw/zinc/91/25/53/779912553.db2.gz CSBWCGVHKHRKJY-GZMMTYOYSA-N 0 3 285.327 -1.251 20 0 CAADHN C[C@@H]1CCN(C(=O)[C@@H](N)Cc2nnn[n-]2)C[C@@H]1[NH3+] ZINC001157792574 779913322 /nfs/dbraw/zinc/91/33/22/779913322.db2.gz AKBPMHIOWYPEBX-CSMHCCOUSA-N 0 3 253.310 -1.735 20 0 CAADHN C[C@@H]1CCN(C(=O)[C@@H](N)Cc2nn[n-]n2)C[C@@H]1[NH3+] ZINC001157792574 779913326 /nfs/dbraw/zinc/91/33/26/779913326.db2.gz AKBPMHIOWYPEBX-CSMHCCOUSA-N 0 3 253.310 -1.735 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001157854450 779914739 /nfs/dbraw/zinc/91/47/39/779914739.db2.gz DQUOLKNZMKPXIK-IWSPIJDZSA-N 0 3 276.312 -1.307 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCCC(=O)[C@@H](F)C1 ZINC001157854833 779914999 /nfs/dbraw/zinc/91/49/99/779914999.db2.gz IRMZMYGTHNOSGE-UWVGGRQHSA-N 0 3 285.319 -1.154 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@@H](O)[C@H](F)C1 ZINC001157854463 779915201 /nfs/dbraw/zinc/91/52/01/779915201.db2.gz DZDYDVCBMCHSLJ-KXUCPTDWSA-N 0 3 273.308 -1.752 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCCNC(=O)C1 ZINC001157890632 779916032 /nfs/dbraw/zinc/91/60/32/779916032.db2.gz QZKVHEQKAJXOLO-SECBINFHSA-N 0 3 268.317 -2.335 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCNC(=O)C1 ZINC001157889067 779916158 /nfs/dbraw/zinc/91/61/58/779916158.db2.gz IIZFUGHFECTZRF-VIFPVBQESA-N 0 3 251.290 -1.372 20 0 CAADHN NC[C@H](N)C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157877495 779916338 /nfs/dbraw/zinc/91/63/38/779916338.db2.gz FYOSODIKDYNHSM-VQVTYTSYSA-N 0 3 255.240 -1.098 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCCNC(=O)C1 ZINC001157890633 779916501 /nfs/dbraw/zinc/91/65/01/779916501.db2.gz QZKVHEQKAJXOLO-VIFPVBQESA-N 0 3 268.317 -2.335 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@H](CO)[C@H](O)C1 ZINC001157905887 779917493 /nfs/dbraw/zinc/91/74/93/779917493.db2.gz XRMRQFWHPMBFCK-OUAUKWLOSA-N 0 3 285.344 -2.482 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157905885 779917935 /nfs/dbraw/zinc/91/79/35/779917935.db2.gz XRMRQFWHPMBFCK-DCAQKATOSA-N 0 3 285.344 -2.482 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157935813 779918362 /nfs/dbraw/zinc/91/83/62/779918362.db2.gz WKQKEDIADASYDY-GARJFASQSA-N 0 3 285.344 -2.482 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCNCC(F)(F)C1 ZINC001157936399 779918512 /nfs/dbraw/zinc/91/85/12/779918512.db2.gz FGWAPZVSOJRGAQ-MRVPVSSYSA-N 0 3 293.318 -1.171 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157935146 779918550 /nfs/dbraw/zinc/91/85/50/779918550.db2.gz SFQHKMQKHMYNJE-USWWRNFRSA-N 0 3 282.344 -1.508 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCNCC(F)(F)C1 ZINC001157937010 779918865 /nfs/dbraw/zinc/91/88/65/779918865.db2.gz MMGIFKNFDXWHIP-SECBINFHSA-N 0 3 290.314 -1.616 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2CC[C@H](O)[C@@H](CO)C2)C1=O ZINC001157933782 779919044 /nfs/dbraw/zinc/91/90/44/779919044.db2.gz CYSSHNNLNVWMBL-WOPDTQHZSA-N 0 3 299.371 -1.472 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001157945907 779921115 /nfs/dbraw/zinc/92/11/15/779921115.db2.gz MEWRSSMQKNPWMN-OBJOEFQTSA-N 0 3 296.371 -1.118 20 0 CAADHN C[C@]1(CO)CN(C(=O)[C@H]2COC3(CNC3)CN2)CC[C@@H]1O ZINC001157947538 779921288 /nfs/dbraw/zinc/92/12/88/779921288.db2.gz UXBYNJLIIHEACC-NTZNESFSSA-N 0 3 299.371 -2.091 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@@](C)(CO)[C@H](O)C1 ZINC001157946042 779921463 /nfs/dbraw/zinc/92/14/63/779921463.db2.gz MEWRSSMQKNPWMN-SCRDCRAPSA-N 0 3 296.371 -1.118 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001157947533 779921520 /nfs/dbraw/zinc/92/15/20/779921520.db2.gz UTIWUWADMGRZRI-XZUANODZSA-N 0 3 292.401 -1.326 20 0 CAADHN CN(CCO)C[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001157977827 779922622 /nfs/dbraw/zinc/92/26/22/779922622.db2.gz LIQRDPLHRLPTAO-LLVKDONJSA-N 0 3 282.348 -1.022 20 0 CAADHN C[C@]1(O)CCN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001157996869 779923497 /nfs/dbraw/zinc/92/34/97/779923497.db2.gz HXFDYEVYQAWYMG-KCJUWKMLSA-N 0 3 258.322 -1.255 20 0 CAADHN Cc1nc(CCN(C)C(=O)[C@@H]2COC3(CNC3)CN2)no1 ZINC001157983627 779924136 /nfs/dbraw/zinc/92/41/36/779924136.db2.gz RUBZACPWZNYBTJ-JTQLQIEISA-N 0 3 295.343 -1.291 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071054 779925150 /nfs/dbraw/zinc/92/51/50/779925150.db2.gz SPQHFSSCQYWLNH-VIFPVBQESA-N 0 3 295.347 -1.950 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071054 779925154 /nfs/dbraw/zinc/92/51/54/779925154.db2.gz SPQHFSSCQYWLNH-VIFPVBQESA-N 0 3 295.347 -1.950 20 0 CAADHN NCc1nnnn1-c1ncccc1C(=O)N1CCNCC1 ZINC001158077432 779925683 /nfs/dbraw/zinc/92/56/83/779925683.db2.gz PJLWUXQMSAIXSX-UHFFFAOYSA-N 0 3 288.315 -1.439 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082407 779926036 /nfs/dbraw/zinc/92/60/36/779926036.db2.gz PLTLJHQYJKKQHT-VIFPVBQESA-N 0 3 279.348 -1.201 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082407 779926043 /nfs/dbraw/zinc/92/60/43/779926043.db2.gz PLTLJHQYJKKQHT-VIFPVBQESA-N 0 3 279.348 -1.201 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091882 779926221 /nfs/dbraw/zinc/92/62/21/779926221.db2.gz JFKUJGQDCYQEDQ-CPCISQLKSA-N 0 3 294.319 -3.240 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161465 779927902 /nfs/dbraw/zinc/92/79/02/779927902.db2.gz VSXNJOMDNXTMQI-CABZTGNLSA-N 0 3 279.348 -1.186 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158161465 779927907 /nfs/dbraw/zinc/92/79/07/779927907.db2.gz VSXNJOMDNXTMQI-CABZTGNLSA-N 0 3 279.348 -1.186 20 0 CAADHN Cn1nncc1CNCCCNC(=O)Cn1ncnn1 ZINC001158162854 779928424 /nfs/dbraw/zinc/92/84/24/779928424.db2.gz CJBRDEOWIKZHFP-UHFFFAOYSA-N 0 3 279.308 -1.902 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168968 779929068 /nfs/dbraw/zinc/92/90/68/779929068.db2.gz LBERJPJZNXDMHU-VIFPVBQESA-N 0 3 279.348 -1.186 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168968 779929077 /nfs/dbraw/zinc/92/90/77/779929077.db2.gz LBERJPJZNXDMHU-VIFPVBQESA-N 0 3 279.348 -1.186 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001160549260 779967280 /nfs/dbraw/zinc/96/72/80/779967280.db2.gz OITVQRIWHWHKHL-QTDQWHRXSA-N 0 3 261.347 -1.584 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCS(=O)(=O)CC1 ZINC001158370119 779933172 /nfs/dbraw/zinc/93/31/72/779933172.db2.gz PWFCFVQXSDYBBH-SECBINFHSA-N 0 3 289.357 -2.426 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158415748 779934964 /nfs/dbraw/zinc/93/49/64/779934964.db2.gz NSZVSFSOFQWQQA-RNJXMRFFSA-N 0 3 251.294 -1.968 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001158415748 779934968 /nfs/dbraw/zinc/93/49/68/779934968.db2.gz NSZVSFSOFQWQQA-RNJXMRFFSA-N 0 3 251.294 -1.968 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158415749 779935029 /nfs/dbraw/zinc/93/50/29/779935029.db2.gz NSZVSFSOFQWQQA-XLPZGREQSA-N 0 3 251.294 -1.968 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CCC[C@H]2[NH2+]C[C@H]21 ZINC001158415749 779935032 /nfs/dbraw/zinc/93/50/32/779935032.db2.gz NSZVSFSOFQWQQA-XLPZGREQSA-N 0 3 251.294 -1.968 20 0 CAADHN CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H](N)CN)C2 ZINC001158431804 779935082 /nfs/dbraw/zinc/93/50/82/779935082.db2.gz SDWFBUGGVMMLPZ-ZETCQYMHSA-N 0 3 282.304 -1.917 20 0 CAADHN NCc1cnnn1-c1cc(N2CCC[C@H]2C(N)=O)ncn1 ZINC001158427818 779935217 /nfs/dbraw/zinc/93/52/17/779935217.db2.gz FSQQHEXMYGSMCA-VIFPVBQESA-N 0 3 288.315 -1.030 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567416 779937732 /nfs/dbraw/zinc/93/77/32/779937732.db2.gz HWZWDTQOZTZSLP-HLTSFMKQSA-N 0 3 297.338 -1.395 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567416 779937737 /nfs/dbraw/zinc/93/77/37/779937737.db2.gz HWZWDTQOZTZSLP-HLTSFMKQSA-N 0 3 297.338 -1.395 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567418 779938180 /nfs/dbraw/zinc/93/81/80/779938180.db2.gz HWZWDTQOZTZSLP-VGMNWLOBSA-N 0 3 297.338 -1.395 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567418 779938184 /nfs/dbraw/zinc/93/81/84/779938184.db2.gz HWZWDTQOZTZSLP-VGMNWLOBSA-N 0 3 297.338 -1.395 20 0 CAADHN COCCN1CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC1 ZINC001158603154 779938192 /nfs/dbraw/zinc/93/81/92/779938192.db2.gz GFTGJNQEMUWICF-WLRWDXFRSA-N 0 3 291.417 -1.127 20 0 CAADHN COCCN1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001158602654 779938231 /nfs/dbraw/zinc/93/82/31/779938231.db2.gz ALUQAUUAZBSBOE-GFCCVEGCSA-N 0 3 298.387 -1.893 20 0 CAADHN CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H](N)CN)C2 ZINC001158790294 779939058 /nfs/dbraw/zinc/93/90/58/779939058.db2.gz KARDSFUASQLSSE-IUCAKERBSA-N 0 3 282.348 -1.344 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)[C@H](CO)NC(N)=O)C[C@@H]21 ZINC001158784343 779939174 /nfs/dbraw/zinc/93/91/74/779939174.db2.gz BFFKYBBYHUQDCU-VGMNWLOBSA-N 0 3 256.306 -1.822 20 0 CAADHN CN(C[C@H](O)CO)C(=O)[C@@H](N)CC[S@@](C)=O ZINC001158799223 779939357 /nfs/dbraw/zinc/93/93/57/779939357.db2.gz LDCRHDXJIQSLLE-DBQHQPDYSA-N 0 3 252.336 -2.106 20 0 CAADHN CN(C[C@@H](O)CO)C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001158799834 779939812 /nfs/dbraw/zinc/93/98/12/779939812.db2.gz POPFXAPJSCNXAI-LXKPXOPUSA-N 0 3 260.334 -1.324 20 0 CAADHN CN(C[C@H](O)CO)C(=O)CN1CCCC[C@H](N)C1=O ZINC001158800259 779940131 /nfs/dbraw/zinc/94/01/31/779940131.db2.gz SYSDOPBVJDXWTL-UWVGGRQHSA-N 0 3 273.333 -1.862 20 0 CAADHN CN(C[C@H](O)CO)C(=O)[C@@H](N)Cc1cncn1C ZINC001158800309 779940181 /nfs/dbraw/zinc/94/01/81/779940181.db2.gz UPQSNDKIUUWQNT-UWVGGRQHSA-N 0 3 256.306 -1.899 20 0 CAADHN CN(C[C@H](O)CO)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001158800087 779940204 /nfs/dbraw/zinc/94/02/04/779940204.db2.gz RIOWIVXTIFCXOP-IUCAKERBSA-N 0 3 259.306 -2.872 20 0 CAADHN CN1CCO[C@H]2CN(C(=O)[C@@H](N)CC[S@@](C)=O)C[C@H]21 ZINC001158802901 779940528 /nfs/dbraw/zinc/94/05/28/779940528.db2.gz ARFOWUOGCMDFQD-RPYSOMGDSA-N 0 3 289.401 -1.376 20 0 CAADHN CN(C[C@@H](O)CO)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001158800085 779940632 /nfs/dbraw/zinc/94/06/32/779940632.db2.gz RIOWIVXTIFCXOP-BDAKNGLRSA-N 0 3 259.306 -2.872 20 0 CAADHN C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCc1nnc[nH]1 ZINC001159160466 779943761 /nfs/dbraw/zinc/94/37/61/779943761.db2.gz PVEWTJSVFKXLMJ-VHSXEESVSA-N 0 3 264.333 -1.148 20 0 CAADHN COC[C@@H]1CN(C(=O)[C@@H](N)CN)Cc2cn(C)nc21 ZINC001159019613 779943847 /nfs/dbraw/zinc/94/38/47/779943847.db2.gz RSRLSUJEYUIAMS-UWVGGRQHSA-N 0 3 267.333 -1.222 20 0 CAADHN NC[C@H](N)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159272578 779945671 /nfs/dbraw/zinc/94/56/71/779945671.db2.gz LUUKVTNBLFXRAE-AXFHLTTASA-N 0 3 292.343 -1.821 20 0 CAADHN CCN1CC[C@@]2(CN(C(=O)[C@@H](N)CN)C[C@@H]2C)C1=O ZINC001159318268 779945848 /nfs/dbraw/zinc/94/58/48/779945848.db2.gz LYJJDGDORSHAKB-KWBADKCTSA-N 0 3 268.361 -1.011 20 0 CAADHN CN1CCN(CC2CN(C(=O)C[C@H]3CC(=O)N3)C2)CC1 ZINC001159366247 779946960 /nfs/dbraw/zinc/94/69/60/779946960.db2.gz MGOTZJWFLMUEIN-GFCCVEGCSA-N 0 3 280.372 -1.029 20 0 CAADHN Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H](N)CN)C3)n1 ZINC001159472168 779948761 /nfs/dbraw/zinc/94/87/61/779948761.db2.gz RKJYQBLJIJAYJJ-VDDIYKPWSA-N 0 3 281.316 -1.610 20 0 CAADHN C[C@@H](Nc1ccc(S(N)(=O)=O)nn1)[C@@H]1CNCCO1 ZINC001159502954 779950095 /nfs/dbraw/zinc/95/00/95/779950095.db2.gz REMOMUGYAYJSFX-SFYZADRCSA-N 0 3 287.345 -1.087 20 0 CAADHN Cn1nncc1CNCCCNC(=O)C[C@H]1CCNC1=O ZINC001159798306 779951682 /nfs/dbraw/zinc/95/16/82/779951682.db2.gz BDTOIEFUEMFURQ-SNVBAGLBSA-N 0 3 294.359 -1.063 20 0 CAADHN CN1C[C@@H]2CN(C(=O)[C@H](N)Cc3c[nH]cn3)C[C@@H]2C1=O ZINC001159887502 779952940 /nfs/dbraw/zinc/95/29/40/779952940.db2.gz WJJADVNRYFPDEB-DVVUODLYSA-N 0 3 277.328 -1.174 20 0 CAADHN CN1C[C@@H]2CN(C(=O)[C@H](N)Cc3cnc[nH]3)C[C@@H]2C1=O ZINC001159887502 779952945 /nfs/dbraw/zinc/95/29/45/779952945.db2.gz WJJADVNRYFPDEB-DVVUODLYSA-N 0 3 277.328 -1.174 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001159886237 779953062 /nfs/dbraw/zinc/95/30/62/779953062.db2.gz KXJJCWXYCCXBHC-USWWRNFRSA-N 0 3 291.355 -1.164 20 0 CAADHN CS(=O)(=O)N1C[C@H]2CCCN(C(=O)[C@@H](N)CN)[C@H]2C1 ZINC001159998373 779954263 /nfs/dbraw/zinc/95/42/63/779954263.db2.gz GQEKAFLSBOEUMK-UTLUCORTSA-N 0 3 290.389 -1.845 20 0 CAADHN Cn1cc(N2C[C@@H]3CN(C(=O)[C@@H](N)CN)C[C@@H]3C2=O)cn1 ZINC001160219159 779957348 /nfs/dbraw/zinc/95/73/48/779957348.db2.gz VBARVIUGGIFUDL-LSJOCFKGSA-N 0 3 292.343 -1.873 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCNC(=O)[C@H]1C ZINC001160450229 779959599 /nfs/dbraw/zinc/95/95/99/779959599.db2.gz CKHSHBBNBBEWCB-NGZCFLSTSA-N 0 3 284.360 -1.177 20 0 CAADHN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)N ZINC001160438658 779960142 /nfs/dbraw/zinc/96/01/42/779960142.db2.gz ALBXNZUAGXUNEG-HTQZYQBOSA-N 0 3 257.290 -1.386 20 0 CAADHN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CNCCN1 ZINC001160440680 779960152 /nfs/dbraw/zinc/96/01/52/779960152.db2.gz SAVXKLVHHOBFLP-VHSXEESVSA-N 0 3 298.343 -2.172 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCN(C(N)=O)CC1 ZINC001160456096 779960702 /nfs/dbraw/zinc/96/07/02/779960702.db2.gz BCCSOZBBYQOEDN-MRVPVSSYSA-N 0 3 286.336 -2.015 20 0 CAADHN CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001160454664 779960780 /nfs/dbraw/zinc/96/07/80/779960780.db2.gz QCMJBPTZFPUPBV-JTQLQIEISA-N 0 3 281.364 -1.130 20 0 CAADHN CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001160454664 779960786 /nfs/dbraw/zinc/96/07/86/779960786.db2.gz QCMJBPTZFPUPBV-JTQLQIEISA-N 0 3 281.364 -1.130 20 0 CAADHN CCN(CCC(N)=O)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160470620 779961294 /nfs/dbraw/zinc/96/12/94/779961294.db2.gz DMYDQQNPCULFOI-SECBINFHSA-N 0 3 270.333 -1.959 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCC2(C1)OCCO2 ZINC001160471039 779961472 /nfs/dbraw/zinc/96/14/72/779961472.db2.gz NHPAYOKAMLAFGA-JTQLQIEISA-N 0 3 283.328 -1.708 20 0 CAADHN CCN(CCC(N)=O)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160470621 779961522 /nfs/dbraw/zinc/96/15/22/779961522.db2.gz DMYDQQNPCULFOI-VIFPVBQESA-N 0 3 270.333 -1.959 20 0 CAADHN NC(=O)N1CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC1 ZINC001160456565 779961568 /nfs/dbraw/zinc/96/15/68/779961568.db2.gz NFXJOCBFWCZMMO-VIFPVBQESA-N 0 3 266.305 -1.498 20 0 CAADHN NC(=O)N1CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC1 ZINC001160456565 779961571 /nfs/dbraw/zinc/96/15/71/779961571.db2.gz NFXJOCBFWCZMMO-VIFPVBQESA-N 0 3 266.305 -1.498 20 0 CAADHN NC[C@H](N)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160507250 779964017 /nfs/dbraw/zinc/96/40/17/779964017.db2.gz VUABZPDUQLYNRL-QWRGUYRKSA-N 0 3 284.360 -1.488 20 0 CAADHN CN(C)C(=O)CN(C)C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001160504769 779964359 /nfs/dbraw/zinc/96/43/59/779964359.db2.gz PIZQITBQMITVFR-SECBINFHSA-N 0 3 253.306 -1.174 20 0 CAADHN COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H](N)CN ZINC001160495417 779964433 /nfs/dbraw/zinc/96/44/33/779964433.db2.gz YFMKOAQUORKQIR-SHYZEUOFSA-N 0 3 291.329 -2.112 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2CC(CO)C2)C1=O ZINC001160531656 779964808 /nfs/dbraw/zinc/96/48/08/779964808.db2.gz WQOSZDLGJWQJOS-JTQLQIEISA-N 0 3 255.318 -1.223 20 0 CAADHN CN(CC1(C)COC1)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160545422 779965565 /nfs/dbraw/zinc/96/55/65/779965565.db2.gz RHUUDFDJIDWSGR-SNVBAGLBSA-N 0 3 269.345 -1.188 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC(CO)C1 ZINC001160531498 779965691 /nfs/dbraw/zinc/96/56/91/779965691.db2.gz QZFFTMXDGJSOLB-KWQFWETISA-N 0 3 257.334 -1.073 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@H](C(N)=O)C1 ZINC001160549287 779966813 /nfs/dbraw/zinc/96/68/13/779966813.db2.gz OYOYJJOCCZPMRH-NGZCFLSTSA-N 0 3 284.360 -1.190 20 0 CAADHN Cn1ncc2c1CN(C(=O)[C@@H]1COC3(CNC3)CN1)C2 ZINC001160565253 779967166 /nfs/dbraw/zinc/96/71/66/779967166.db2.gz OSQLZZIRKOIMPR-JTQLQIEISA-N 0 3 277.328 -1.407 20 0 CAADHN CN1CCN(C2CN(C(=O)[C@@H](N)CC(F)F)C2)CC1=O ZINC001160634472 779969368 /nfs/dbraw/zinc/96/93/68/779969368.db2.gz ANKYIPZEDGRSGV-VIFPVBQESA-N 0 3 290.314 -1.046 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636026 779969610 /nfs/dbraw/zinc/96/96/10/779969610.db2.gz GYJSJMGWBDYPOC-LLVKDONJSA-N 0 3 292.343 -2.078 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636026 779969614 /nfs/dbraw/zinc/96/96/14/779969614.db2.gz GYJSJMGWBDYPOC-LLVKDONJSA-N 0 3 292.343 -2.078 20 0 CAADHN COC[C@@H](O)C[NH2+]CCCNC(=O)c1cnc[n-]c1=O ZINC001160640292 779970592 /nfs/dbraw/zinc/97/05/92/779970592.db2.gz WUIFZNZTKBIEMQ-VIFPVBQESA-N 0 3 284.316 -1.101 20 0 CAADHN CN1CCN(C2CN(C(=O)C(N)C(F)(F)F)C2)CC1=O ZINC001160637682 779970623 /nfs/dbraw/zinc/97/06/23/779970623.db2.gz VQVZNNYLCZOACX-VIFPVBQESA-N 0 3 294.277 -1.139 20 0 CAADHN CN1CCN(C2CN(C(=O)C(N)C(F)(F)F)C2)CC1=O ZINC001160637681 779970728 /nfs/dbraw/zinc/97/07/28/779970728.db2.gz VQVZNNYLCZOACX-SECBINFHSA-N 0 3 294.277 -1.139 20 0 CAADHN NC(=O)NC(=O)C[NH2+]CCCNC(=O)c1cnc[n-]c1=O ZINC001160639398 779970984 /nfs/dbraw/zinc/97/09/84/779970984.db2.gz AYKPGSLOWVBZGI-UHFFFAOYSA-N 0 3 296.287 -1.913 20 0 CAADHN NC(C(=O)N1CC(N2CCNC(=O)C2)C1)C(F)(F)F ZINC001160636922 779971219 /nfs/dbraw/zinc/97/12/19/779971219.db2.gz LKURFPOGVOUQNB-MRVPVSSYSA-N 0 3 280.250 -1.481 20 0 CAADHN C[C@H]1CC(=O)CCN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160642232 779972075 /nfs/dbraw/zinc/97/20/75/779972075.db2.gz IAHRNOVNYRYTQC-GXSJLCMTSA-N 0 3 267.329 -1.103 20 0 CAADHN CN(CC1COC1)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160644351 779972138 /nfs/dbraw/zinc/97/21/38/779972138.db2.gz CHZMMCURRUVLEH-SNVBAGLBSA-N 0 3 255.318 -1.578 20 0 CAADHN CN(CC1COC1)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160644349 779972397 /nfs/dbraw/zinc/97/23/97/779972397.db2.gz CHZMMCURRUVLEH-JTQLQIEISA-N 0 3 255.318 -1.578 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647610 779973473 /nfs/dbraw/zinc/97/34/73/779973473.db2.gz PIKDJPJXKAJOKR-GHMZBOCLSA-N 0 3 294.355 -1.850 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160647363 779974489 /nfs/dbraw/zinc/97/44/89/779974489.db2.gz IVAKNQZFGMCUDA-XVMARJQXSA-N 0 3 257.273 -2.033 20 0 CAADHN O=C([C@@H]1CNCCN1)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160660160 779975023 /nfs/dbraw/zinc/97/50/23/779975023.db2.gz FWQQVLUAFGWDBB-NGZCFLSTSA-N 0 3 253.302 -1.493 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653226 779975085 /nfs/dbraw/zinc/97/50/85/779975085.db2.gz ZNLWBKRVTFTXGH-DSYKOEDSSA-N 0 3 255.282 -3.010 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653226 779975089 /nfs/dbraw/zinc/97/50/89/779975089.db2.gz ZNLWBKRVTFTXGH-DSYKOEDSSA-N 0 3 255.282 -3.010 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001160705401 779976306 /nfs/dbraw/zinc/97/63/06/779976306.db2.gz XMJFTRUGENWSNV-LPDMDUEVSA-N 0 3 277.346 -2.205 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCC(=O)C(F)(F)C1 ZINC001160663399 779976379 /nfs/dbraw/zinc/97/63/79/779976379.db2.gz GMHNABKVHKJNMR-MRVPVSSYSA-N 0 3 289.282 -1.247 20 0 CAADHN CN(Cc1ccon1)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160687963 779976608 /nfs/dbraw/zinc/97/66/08/779976608.db2.gz KZZNAJJVEUKFEQ-SNVBAGLBSA-N 0 3 266.301 -1.037 20 0 CAADHN CN(CCC1OCCO1)C(=O)[C@H](N)CCCNC(N)=O ZINC001160683927 779976712 /nfs/dbraw/zinc/97/67/12/779976712.db2.gz OSOQKBURLVZKQV-SECBINFHSA-N 0 3 288.348 -1.016 20 0 CAADHN CN(CCC1OCCO1)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160681897 779976915 /nfs/dbraw/zinc/97/69/15/779976915.db2.gz AOBYNSYSTPRIQB-SNVBAGLBSA-N 0 3 285.344 -1.462 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCC(=O)C(F)(F)C1 ZINC001160663400 779977235 /nfs/dbraw/zinc/97/72/35/779977235.db2.gz GMHNABKVHKJNMR-QMMMGPOBSA-N 0 3 289.282 -1.247 20 0 CAADHN CC1(C)CN(C2CN(C(=O)[C@@H](N)CN)C2)CCO1 ZINC001160663846 779977368 /nfs/dbraw/zinc/97/73/68/779977368.db2.gz XGEPJEMWGSQGBO-JTQLQIEISA-N 0 3 256.350 -1.406 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@H](N)Cc2c[nH]cn2)CCO1 ZINC001160704548 779978290 /nfs/dbraw/zinc/97/82/90/779978290.db2.gz LUGSAQDZAATONF-BDAKNGLRSA-N 0 3 267.289 -2.008 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@H](N)Cc2cnc[nH]2)CCO1 ZINC001160704548 779978294 /nfs/dbraw/zinc/97/82/94/779978294.db2.gz LUGSAQDZAATONF-BDAKNGLRSA-N 0 3 267.289 -2.008 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@@H](N)Cc2c[nH]cn2)CCO1 ZINC001160704554 779978491 /nfs/dbraw/zinc/97/84/91/779978491.db2.gz LUGSAQDZAATONF-DTWKUNHWSA-N 0 3 267.289 -2.008 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@@H](N)Cc2cnc[nH]2)CCO1 ZINC001160704554 779978492 /nfs/dbraw/zinc/97/84/92/779978492.db2.gz LUGSAQDZAATONF-DTWKUNHWSA-N 0 3 267.289 -2.008 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@@H]2C[C@@H](F)CCN2)CCO1 ZINC001160704859 779978937 /nfs/dbraw/zinc/97/89/37/779978937.db2.gz PNVDUAHYYCCNIG-XHNCKOQMSA-N 0 3 259.281 -1.211 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2c[nH]cn2)CCO1 ZINC001160704556 779979050 /nfs/dbraw/zinc/97/90/50/779979050.db2.gz LUGSAQDZAATONF-IUCAKERBSA-N 0 3 267.289 -2.008 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2cnc[nH]2)CCO1 ZINC001160704556 779979054 /nfs/dbraw/zinc/97/90/54/779979054.db2.gz LUGSAQDZAATONF-IUCAKERBSA-N 0 3 267.289 -2.008 20 0 CAADHN CCN(CC(C)(C)O)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160755314 779979904 /nfs/dbraw/zinc/97/99/04/779979904.db2.gz CVDHZQOXEIXDPG-JTQLQIEISA-N 0 3 271.361 -1.064 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCc2nccn2CC1 ZINC001160761035 779980121 /nfs/dbraw/zinc/98/01/21/779980121.db2.gz UNNZOINWZIWKMT-LLVKDONJSA-N 0 3 291.355 -1.402 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789381 779981458 /nfs/dbraw/zinc/98/14/58/779981458.db2.gz BNQLGYCHIGDBHM-GHMZBOCLSA-N 0 3 293.327 -1.651 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789381 779981461 /nfs/dbraw/zinc/98/14/61/779981461.db2.gz BNQLGYCHIGDBHM-GHMZBOCLSA-N 0 3 293.327 -1.651 20 0 CAADHN NC(C(=O)N1CCN2C(=O)COC[C@@H]2C1)C(F)(F)F ZINC001160790657 779982247 /nfs/dbraw/zinc/98/22/47/779982247.db2.gz RVVLACYEVQWUGS-XPUUQOCRSA-N 0 3 281.234 -1.054 20 0 CAADHN NC[C@H](N)C(=O)N1CCN(c2ncccc2N)CC1 ZINC001160826000 779982506 /nfs/dbraw/zinc/98/25/06/779982506.db2.gz PELNBFIMPDIEPY-JTQLQIEISA-N 0 3 264.333 -1.402 20 0 CAADHN NC(C(=O)N1CCN2C(=O)COC[C@@H]2C1)C(F)(F)F ZINC001160790654 779982520 /nfs/dbraw/zinc/98/25/20/779982520.db2.gz RVVLACYEVQWUGS-POYBYMJQSA-N 0 3 281.234 -1.054 20 0 CAADHN NC(C(=O)N1CCN2C(=O)COC[C@H]2C1)C(F)(F)F ZINC001160790649 779982606 /nfs/dbraw/zinc/98/26/06/779982606.db2.gz RVVLACYEVQWUGS-HTRCEHHLSA-N 0 3 281.234 -1.054 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CCn2nncc2C1 ZINC001160834148 779982863 /nfs/dbraw/zinc/98/28/63/779982863.db2.gz YMRJOGIYNSVQKJ-YYSFKGJASA-N 0 3 271.346 -1.284 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCn2nncc2C1 ZINC001160834147 779982889 /nfs/dbraw/zinc/98/28/89/779982889.db2.gz YMRJOGIYNSVQKJ-NIVTXAMTSA-N 0 3 271.346 -1.284 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@H](N)Cc2c[nH]cn2)CCN1C ZINC001160871214 779985314 /nfs/dbraw/zinc/98/53/14/779985314.db2.gz RNYBSIMSVADFNP-GHMZBOCLSA-N 0 3 295.343 -1.405 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@H](N)Cc2cnc[nH]2)CCN1C ZINC001160871214 779985318 /nfs/dbraw/zinc/98/53/18/779985318.db2.gz RNYBSIMSVADFNP-GHMZBOCLSA-N 0 3 295.343 -1.405 20 0 CAADHN C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160940389 779987863 /nfs/dbraw/zinc/98/78/63/779987863.db2.gz CFDNLULLACJHNI-UWVGGRQHSA-N 0 3 282.344 -1.994 20 0 CAADHN C[C@H]1CN(C)C(=O)CN1C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001160940768 779987975 /nfs/dbraw/zinc/98/79/75/779987975.db2.gz FXWKALFVVOTDKM-WCBMZHEXSA-N 0 3 265.317 -1.031 20 0 CAADHN C[C@H]1CN(C)C(=O)CN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160940392 779988289 /nfs/dbraw/zinc/98/82/89/779988289.db2.gz CFDNLULLACJHNI-VHSXEESVSA-N 0 3 282.344 -1.994 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160968302 779989134 /nfs/dbraw/zinc/98/91/34/779989134.db2.gz SDHRTVVWZSGLFB-WDSKDSINSA-N 0 3 275.263 -1.736 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160968302 779989140 /nfs/dbraw/zinc/98/91/40/779989140.db2.gz SDHRTVVWZSGLFB-WDSKDSINSA-N 0 3 275.263 -1.736 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160968301 779989250 /nfs/dbraw/zinc/98/92/50/779989250.db2.gz SDHRTVVWZSGLFB-RITPCOANSA-N 0 3 275.263 -1.736 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160968301 779989256 /nfs/dbraw/zinc/98/92/56/779989256.db2.gz SDHRTVVWZSGLFB-RITPCOANSA-N 0 3 275.263 -1.736 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000041 779989458 /nfs/dbraw/zinc/98/94/58/779989458.db2.gz OIGSGLNOBSFBGV-DTWKUNHWSA-N 0 3 295.347 -2.215 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000041 779989462 /nfs/dbraw/zinc/98/94/62/779989462.db2.gz OIGSGLNOBSFBGV-DTWKUNHWSA-N 0 3 295.347 -2.215 20 0 CAADHN O=C1CNCCN1CCNc1cc2c(nn1)CCNC2 ZINC001161024152 779990156 /nfs/dbraw/zinc/99/01/56/779990156.db2.gz HDDNYCMUPMEEIO-UHFFFAOYSA-N 0 3 276.344 -1.034 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O ZINC001161034503 779990528 /nfs/dbraw/zinc/99/05/28/779990528.db2.gz KTLXSNBLTSGOBO-QXEWZRGKSA-N 0 3 284.360 -1.048 20 0 CAADHN O=C1CNCCN1CCNc1ncc2c(n1)CCNC2 ZINC001161018616 779991161 /nfs/dbraw/zinc/99/11/61/779991161.db2.gz ATDBZDGUBBYXCI-UHFFFAOYSA-N 0 3 276.344 -1.034 20 0 CAADHN O=C1CNCCN1CCNc1ncnc2c1CCNC2 ZINC001161019078 779991333 /nfs/dbraw/zinc/99/13/33/779991333.db2.gz KEVLHEQGRZCQTI-UHFFFAOYSA-N 0 3 276.344 -1.034 20 0 CAADHN CN(C(=O)[C@@H](N)Cc1nnn[n-]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058162 779992543 /nfs/dbraw/zinc/99/25/43/779992543.db2.gz OYGGFBVVWNHREH-CIUDSAMLSA-N 0 3 267.337 -1.202 20 0 CAADHN CN(C(=O)[C@@H](N)Cc1nn[n-]n1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058162 779992546 /nfs/dbraw/zinc/99/25/46/779992546.db2.gz OYGGFBVVWNHREH-CIUDSAMLSA-N 0 3 267.337 -1.202 20 0 CAADHN NC(=O)C(=O)NCCC1=CCN(CCn2cncn2)CC1 ZINC001161070618 779992707 /nfs/dbraw/zinc/99/27/07/779992707.db2.gz MRSOUIXVEGQTQF-UHFFFAOYSA-N 0 3 292.343 -1.098 20 0 CAADHN NC(=O)C(=O)NCCC1=CCN(CCOCCO)CC1 ZINC001161070691 779993111 /nfs/dbraw/zinc/99/31/11/779993111.db2.gz NNIVVTYQNJEEGG-UHFFFAOYSA-N 0 3 285.344 -1.381 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161085062 779994071 /nfs/dbraw/zinc/99/40/71/779994071.db2.gz MEWVDFPVIUYQPS-RNJXMRFFSA-N 0 3 270.289 -1.712 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084771 779994137 /nfs/dbraw/zinc/99/41/37/779994137.db2.gz ITEJUEFZLTXTLI-YIZRAAEISA-N 0 3 267.285 -2.157 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161084760 779994843 /nfs/dbraw/zinc/99/48/43/779994843.db2.gz ITEJUEFZLTXTLI-CIUDSAMLSA-N 0 3 267.285 -2.157 20 0 CAADHN COC(=O)[C@]1(N)CCN(C(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001161138360 779996831 /nfs/dbraw/zinc/99/68/31/779996831.db2.gz SUXLNAPQZGOMFM-JSXHELRYSA-N 0 3 291.373 -1.815 20 0 CAADHN CCN(C(=O)[C@H](N)CCCNC(N)=O)C1CN(C)C1 ZINC001161137129 779996919 /nfs/dbraw/zinc/99/69/19/779996919.db2.gz CGIADGXBCCVOKG-SNVBAGLBSA-N 0 3 271.365 -1.075 20 0 CAADHN COC(=O)[C@@]1(N)CCN(C(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001161138359 779997639 /nfs/dbraw/zinc/99/76/39/779997639.db2.gz SUXLNAPQZGOMFM-GYNAJNEGSA-N 0 3 291.373 -1.815 20 0 CAADHN COC(=O)[C@]1(N)CCN(C(=O)C(N)C(F)(F)F)C1 ZINC001161137451 779997886 /nfs/dbraw/zinc/99/78/86/779997886.db2.gz DYMMDFVRKGIFPY-XNCJUZBTSA-N 0 3 269.223 -1.021 20 0 CAADHN COC(=O)[C@]1(N)CCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161138205 779997915 /nfs/dbraw/zinc/99/79/15/779997915.db2.gz PHCVEGPSRHTSNI-RNCFNFMXSA-N 0 3 298.343 -2.580 20 0 CAADHN COC(=O)[C@]1(N)CCN(C(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001161138361 779997937 /nfs/dbraw/zinc/99/79/37/779997937.db2.gz SUXLNAPQZGOMFM-VCJDJFQASA-N 0 3 291.373 -1.815 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)CCO ZINC001161110956 779997974 /nfs/dbraw/zinc/99/79/74/779997974.db2.gz QROLSVWOPCDYSH-BQBZGAKWSA-N 0 3 260.294 -2.856 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)[C@@H](C)CO1 ZINC001161235009 780004536 /nfs/dbraw/zinc/00/45/36/780004536.db2.gz KTODZPDEBVADES-HBNTYKKESA-N 0 3 269.345 -1.047 20 0 CAADHN CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161270360 780005289 /nfs/dbraw/zinc/00/52/89/780005289.db2.gz NKYROHUMVCPHQU-NEPJUHHUSA-N 0 3 296.371 -1.556 20 0 CAADHN CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161270361 780005361 /nfs/dbraw/zinc/00/53/61/780005361.db2.gz NKYROHUMVCPHQU-VXGBXAGGSA-N 0 3 296.371 -1.556 20 0 CAADHN NC[C@H](N)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269421 780006185 /nfs/dbraw/zinc/00/61/85/780006185.db2.gz CCDQEMDDVGHLJR-NSHDSACASA-N 0 3 299.375 -1.695 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412179 780011611 /nfs/dbraw/zinc/01/16/11/780011611.db2.gz HGCZKPFYOQCWIF-KDXUFGMBSA-N 0 3 265.321 -1.735 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412179 780011621 /nfs/dbraw/zinc/01/16/21/780011621.db2.gz HGCZKPFYOQCWIF-KDXUFGMBSA-N 0 3 265.321 -1.735 20 0 CAADHN O=C([C@@H]1CNCCN1)N1CC(=O)NC2(CCCC2)C1 ZINC001161417504 780011757 /nfs/dbraw/zinc/01/17/57/780011757.db2.gz VIPFJXTYWBJSAU-JTQLQIEISA-N 0 3 266.345 -1.181 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412178 780012101 /nfs/dbraw/zinc/01/21/01/780012101.db2.gz HGCZKPFYOQCWIF-BGZDPUMWSA-N 0 3 265.321 -1.735 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001161412178 780012109 /nfs/dbraw/zinc/01/21/09/780012109.db2.gz HGCZKPFYOQCWIF-BGZDPUMWSA-N 0 3 265.321 -1.735 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCNC2)COC1(C)C ZINC001161418524 780012425 /nfs/dbraw/zinc/01/24/25/780012425.db2.gz DKDRLXBUTCBPDY-IUCAKERBSA-N 0 3 270.333 -1.314 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CCN2CC[C@@H]2C1 ZINC001161423978 780012721 /nfs/dbraw/zinc/01/27/21/780012721.db2.gz VCDSJNLHXFBXQT-KEYDSSBGSA-N 0 3 259.375 -1.001 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCN2CC[C@H]2C1 ZINC001161423792 780014290 /nfs/dbraw/zinc/01/42/90/780014290.db2.gz OBNDMFPYIRVAPK-GUBZILKMSA-N 0 3 270.333 -2.273 20 0 CAADHN C[C@]1(C[NH3+])CCCN(C(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001161489417 780015467 /nfs/dbraw/zinc/01/54/67/780015467.db2.gz MQEIFIDCZAKBSA-GZMMTYOYSA-N 0 3 267.337 -1.343 20 0 CAADHN C[C@]1(C[NH3+])CCCN(C(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001161489417 780015470 /nfs/dbraw/zinc/01/54/70/780015470.db2.gz MQEIFIDCZAKBSA-GZMMTYOYSA-N 0 3 267.337 -1.343 20 0 CAADHN C[C@@H]1CN(C2CN(C(=O)[C@@H](N)CN)C2)C[C@@H](C)O1 ZINC001161493465 780016550 /nfs/dbraw/zinc/01/65/50/780016550.db2.gz NLJCPPOCPHFSTE-KKZNHRDASA-N 0 3 256.350 -1.408 20 0 CAADHN C[C@H]1CN(C2CN(C(=O)[C@@H](N)CN)C2)C[C@H](C)O1 ZINC001161493469 780016747 /nfs/dbraw/zinc/01/67/47/780016747.db2.gz NLJCPPOCPHFSTE-QXEWZRGKSA-N 0 3 256.350 -1.408 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(C(F)F)C1 ZINC001161497625 780016880 /nfs/dbraw/zinc/01/68/80/780016880.db2.gz BRNGAYAZTFNTME-FSPLSTOPSA-N 0 3 292.286 -1.583 20 0 CAADHN CC(=O)OC[C@H](N)C(=O)N1CC(N(C)[C@H]2CCOC2)C1 ZINC001161499981 780018871 /nfs/dbraw/zinc/01/88/71/780018871.db2.gz QTHHYGKQIPIKHR-JQWIXIFHSA-N 0 3 285.344 -1.192 20 0 CAADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)N)C[C@@H]2C(=O)N(C)C ZINC001161506185 780019897 /nfs/dbraw/zinc/01/98/97/780019897.db2.gz BVDCYTDSWFBMFT-MWLCHTKSSA-N 0 3 296.371 -1.271 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCNC2(CC2)C1 ZINC001161544897 780020486 /nfs/dbraw/zinc/02/04/86/780020486.db2.gz ILBZADWOYHMUDB-SECBINFHSA-N 0 3 269.349 -1.273 20 0 CAADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCNC2(CC2)C1 ZINC001161545344 780020709 /nfs/dbraw/zinc/02/07/09/780020709.db2.gz ROEKZHSLIAZAOY-SNVBAGLBSA-N 0 3 299.396 -1.273 20 0 CAADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCNC2(CC2)C1 ZINC001161545343 780020776 /nfs/dbraw/zinc/02/07/76/780020776.db2.gz ROEKZHSLIAZAOY-JTQLQIEISA-N 0 3 299.396 -1.273 20 0 CAADHN CN1CC2(C1)CN(C(=O)[C@@H](N)CC[S@@](C)=O)C2 ZINC001161532356 780021247 /nfs/dbraw/zinc/02/12/47/780021247.db2.gz QVJVHMHGJCGADQ-HUTHGQBESA-N 0 3 259.375 -1.144 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCNC2(CC2)C1 ZINC001161550960 780022614 /nfs/dbraw/zinc/02/26/14/780022614.db2.gz VYBQUJBKTVBSOO-IUCAKERBSA-N 0 3 270.333 -2.225 20 0 CAADHN COCCOC1CN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001161571154 780022676 /nfs/dbraw/zinc/02/26/76/780022676.db2.gz RNZPGOSPNXXBFH-SNVBAGLBSA-N 0 3 288.348 -1.364 20 0 CAADHN NC[C@H](N)C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601248 780023925 /nfs/dbraw/zinc/02/39/25/780023925.db2.gz ASXSDMWYHGYXKR-GARJFASQSA-N 0 3 274.340 -1.456 20 0 CAADHN NC(=O)CN1CC=C(CCNC(=O)Cc2nnc[nH]2)CC1 ZINC001161683028 780026215 /nfs/dbraw/zinc/02/62/15/780026215.db2.gz IWOPQIZXLJHOCB-UHFFFAOYSA-N 0 3 292.343 -1.029 20 0 CAADHN CN1CCN(C)[C@H](CNC(=O)[C@H]2CNCCO2)C1 ZINC000250358520 780028935 /nfs/dbraw/zinc/02/89/35/780028935.db2.gz AZSAAYLHCSZFET-GHMZBOCLSA-N 0 3 256.350 -1.663 20 0 CAADHN N[C@@H]1NCN(c2nc(Cl)nc3[nH]cnc32)[C@H]2NCN[C@H]21 ZINC001162434974 780031386 /nfs/dbraw/zinc/03/13/86/780031386.db2.gz AYOQJLKOAORELI-CVTKMRTPSA-N 0 3 295.738 -1.497 20 0 CAADHN N[C@@H]1NCN(c2nc(Cl)nc3[nH]cnc32)[C@H]2NCN[C@@H]21 ZINC001162434977 780031424 /nfs/dbraw/zinc/03/14/24/780031424.db2.gz AYOQJLKOAORELI-UEYSZJFGSA-N 0 3 295.738 -1.497 20 0 CAADHN N[C@@H]1NCN(c2nc(Cl)nc3[nH]cnc32)[C@@H]2NCN[C@@H]21 ZINC001162434975 780031627 /nfs/dbraw/zinc/03/16/27/780031627.db2.gz AYOQJLKOAORELI-DVZGVGDCSA-N 0 3 295.738 -1.497 20 0 CAADHN N[C@@H]1NCN(c2ncc3c(n2)CCNC3)[C@@H]2NCN[C@@H]21 ZINC001162437570 780037147 /nfs/dbraw/zinc/03/71/47/780037147.db2.gz VEJVESQUSFNLSD-MXWKQRLJSA-N 0 3 276.348 -2.381 20 0 CAADHN N[C@@H]1NCN(c2ncnc3c2CCNC3)[C@H]2NCN[C@H]21 ZINC001162437785 780037577 /nfs/dbraw/zinc/03/75/77/780037577.db2.gz VPDTYCHVGOJJSA-HOSYDEDBSA-N 0 3 276.348 -2.381 20 0 CAADHN NCc1cc(N2CN[C@H](N)[C@@H]3NCN[C@H]32)ncn1 ZINC001162440752 780045297 /nfs/dbraw/zinc/04/52/97/780045297.db2.gz UWSOETABPFWWJN-GUBZILKMSA-N 0 3 250.310 -2.568 20 0 CAADHN CNC(=O)N[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC001163019821 780054038 /nfs/dbraw/zinc/05/40/38/780054038.db2.gz VGRIAVWRFCRZDB-RXMQYKEDSA-N 0 3 252.282 -1.456 20 0 CAADHN CC(=O)NCCC1(CNCC(=O)N2CCNC(=O)C2)CC1 ZINC001163067028 780054579 /nfs/dbraw/zinc/05/45/79/780054579.db2.gz BLTXSKMJWQVMES-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001163087650 780055388 /nfs/dbraw/zinc/05/53/88/780055388.db2.gz AGOOVNUKMKGYGA-CYBMUJFWSA-N 0 3 294.359 -1.063 20 0 CAADHN CNC(=O)c1cnc([N-][C@]23CC[NH2+][C@H]2CC(=O)N3)nc1 ZINC001163240208 780056853 /nfs/dbraw/zinc/05/68/53/780056853.db2.gz UIGHVBCZIIWLOP-QPUJVOFHSA-N 0 3 276.300 -1.174 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001163925758 780065460 /nfs/dbraw/zinc/06/54/60/780065460.db2.gz YGTLCUDSIPDNFT-GHMZBOCLSA-N 0 3 294.359 -1.078 20 0 CAADHN CN1C[C@H](C(=O)NCCCNCc2cnnn2C)NC1=O ZINC001163939258 780065603 /nfs/dbraw/zinc/06/56/03/780065603.db2.gz HTTQURNPCROUJH-SNVBAGLBSA-N 0 3 295.347 -1.565 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001163925761 780065697 /nfs/dbraw/zinc/06/56/97/780065697.db2.gz YGTLCUDSIPDNFT-WDEREUQCSA-N 0 3 294.359 -1.078 20 0 CAADHN CN1C[C@@H](C(=O)NCCCNCc2cnnn2C)NC1=O ZINC001163939257 780065841 /nfs/dbraw/zinc/06/58/41/780065841.db2.gz HTTQURNPCROUJH-JTQLQIEISA-N 0 3 295.347 -1.565 20 0 CAADHN NCc1nccnc1NC[C@@]1(CO)COCCN1 ZINC001164046510 780068335 /nfs/dbraw/zinc/06/83/35/780068335.db2.gz MCLDTWVUOOVHOZ-LLVKDONJSA-N 0 3 253.306 -1.302 20 0 CAADHN CCn1nncc1CNCCCNC(=O)c1nnn(C)n1 ZINC001164153766 780069576 /nfs/dbraw/zinc/06/95/76/780069576.db2.gz YHBBNZQEPWPJMY-UHFFFAOYSA-N 0 3 293.335 -1.269 20 0 CAADHN COC(=O)c1cnnc(N(C)S(=O)(=O)CCN)c1 ZINC001164288080 780070409 /nfs/dbraw/zinc/07/04/09/780070409.db2.gz MLYWHARKICWUQW-UHFFFAOYSA-N 0 3 274.302 -1.012 20 0 CAADHN CN(c1nccnc1C(N)=O)S(=O)(=O)CCN ZINC001164286894 780070925 /nfs/dbraw/zinc/07/09/25/780070925.db2.gz DLAIADIJQBVDPT-UHFFFAOYSA-N 0 3 259.291 -1.700 20 0 CAADHN CN(c1nnc(Cl)nn1)S(=O)(=O)CCN ZINC001164286981 780071058 /nfs/dbraw/zinc/07/10/58/780071058.db2.gz GDDJVCMIQPEJEB-UHFFFAOYSA-N 0 3 252.687 -1.355 20 0 CAADHN CN1CC[C@H](C(=O)NCCCNCc2cnnn2C)C1=O ZINC001164289281 780071592 /nfs/dbraw/zinc/07/15/92/780071592.db2.gz NIEMKOLQKVBMEG-LLVKDONJSA-N 0 3 294.359 -1.111 20 0 CAADHN CN(c1ccc2nncn2n1)S(=O)(=O)CCN ZINC001164297200 780072084 /nfs/dbraw/zinc/07/20/84/780072084.db2.gz MMCMNQAGSPFPHR-UHFFFAOYSA-N 0 3 256.291 -1.151 20 0 CAADHN CN(c1ncc2c(n1)NC(=O)CO2)S(=O)(=O)CCN ZINC001164292088 780072102 /nfs/dbraw/zinc/07/21/02/780072102.db2.gz BTQXNYDLUJCDCD-UHFFFAOYSA-N 0 3 287.301 -1.468 20 0 CAADHN CN1CC[C@@H](C(=O)NCCCNCc2cnnn2C)C1=O ZINC001164289282 780072238 /nfs/dbraw/zinc/07/22/38/780072238.db2.gz NIEMKOLQKVBMEG-NSHDSACASA-N 0 3 294.359 -1.111 20 0 CAADHN CN(c1nc(N)nc2nc[nH]c21)S(=O)(=O)CCN ZINC001164292126 780072489 /nfs/dbraw/zinc/07/24/89/780072489.db2.gz DNCLFEWZBTYWOU-UHFFFAOYSA-N 0 3 271.306 -1.340 20 0 CAADHN CN(c1ccc(-n2cnnn2)nc1)S(=O)(=O)CCN ZINC001164297079 780072785 /nfs/dbraw/zinc/07/27/85/780072785.db2.gz JNKFYMFSYWNYIF-UHFFFAOYSA-N 0 3 283.317 -1.218 20 0 CAADHN NS(=O)(=O)c1ccc(-n2ncc3c2CCNC3)nn1 ZINC001165223655 780076253 /nfs/dbraw/zinc/07/62/53/780076253.db2.gz QSWIPTUREXTISF-UHFFFAOYSA-N 0 3 280.313 -1.045 20 0 CAADHN NC(=O)CN1CCN(c2cc3c(nn2)CCNC3)CC1 ZINC001165155851 780076779 /nfs/dbraw/zinc/07/67/79/780076779.db2.gz ZPVNVSBJHHUCTP-UHFFFAOYSA-N 0 3 276.344 -1.270 20 0 CAADHN O=C1NCCN(c2ncc3c(n2)CNC3)C12CNC2 ZINC001165298697 780078423 /nfs/dbraw/zinc/07/84/23/780078423.db2.gz SAJLDFQXTPNYBS-UHFFFAOYSA-N 0 3 260.301 -1.642 20 0 CAADHN CCn1nncc1CNCCCNC(=O)[C@H]1CNC(=O)N1 ZINC001165467418 780080443 /nfs/dbraw/zinc/08/04/43/780080443.db2.gz NTIAMMKWWGVEOX-SNVBAGLBSA-N 0 3 295.347 -1.425 20 0 CAADHN Cn1ccc(CNCCCNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001165466213 780080633 /nfs/dbraw/zinc/08/06/33/780080633.db2.gz DVIFAKFJGMKFDH-SNVBAGLBSA-N 0 3 280.332 -1.303 20 0 CAADHN COc1nccc(CNCCCNC(=O)C(N)=O)n1 ZINC001165613213 780084985 /nfs/dbraw/zinc/08/49/85/780084985.db2.gz KUNIJAIHXSFORM-UHFFFAOYSA-N 0 3 267.289 -1.434 20 0 CAADHN Cc1nnsc1CNCCCNC(=O)C(N)=O ZINC001165618912 780085546 /nfs/dbraw/zinc/08/55/46/780085546.db2.gz GVUQWIDVHSGMPN-UHFFFAOYSA-N 0 3 257.319 -1.072 20 0 CAADHN Cc1cc(CNCCCNC(=O)C(N)=O)nn1C ZINC001165618857 780085645 /nfs/dbraw/zinc/08/56/45/780085645.db2.gz DYLFXRRANIACME-UHFFFAOYSA-N 0 3 253.306 -1.190 20 0 CAADHN Cc1nccnc1CNCCCNC(=O)C(N)=O ZINC001165624301 780085705 /nfs/dbraw/zinc/08/57/05/780085705.db2.gz KQGCPWDJWGUQFC-UHFFFAOYSA-N 0 3 251.290 -1.134 20 0 CAADHN Cc1cc(NC(=O)CNCCCNC(=O)C(N)=O)n(C)n1 ZINC001165646088 780086809 /nfs/dbraw/zinc/08/68/09/780086809.db2.gz YTAGWFYMPIBJEM-UHFFFAOYSA-N 0 3 296.331 -1.752 20 0 CAADHN Cc1cnc(CNCCCNC(=O)C(N)=O)cn1 ZINC001165635953 780087289 /nfs/dbraw/zinc/08/72/89/780087289.db2.gz HWEHYELPKKBSAN-UHFFFAOYSA-N 0 3 251.290 -1.134 20 0 CAADHN CN(C(=O)CNCCCNC(=O)C(N)=O)c1nccs1 ZINC001165637691 780087624 /nfs/dbraw/zinc/08/76/24/780087624.db2.gz ZAHSOQVFNVAAOI-UHFFFAOYSA-N 0 3 299.356 -1.313 20 0 CAADHN NC(=O)C(=O)NCCCNCc1cc2n(n1)CCC2 ZINC001165625284 780087806 /nfs/dbraw/zinc/08/78/06/780087806.db2.gz WTWOGAYLQYYVLB-UHFFFAOYSA-N 0 3 265.317 -1.090 20 0 CAADHN NC(=O)[C@@H]1CN(c2ncc3c(n2)CCNC3)CCN1 ZINC001166723719 780093890 /nfs/dbraw/zinc/09/38/90/780093890.db2.gz JFFIAUVOOYPKER-JTQLQIEISA-N 0 3 262.317 -1.614 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001166806112 780097148 /nfs/dbraw/zinc/09/71/48/780097148.db2.gz XJJAWBZURSYYNV-ZJUUUORDSA-N 0 3 280.332 -1.468 20 0 CAADHN CS(=O)(=O)N(c1ccc(C(N)=O)cn1)C1CNC1 ZINC001166966203 780100437 /nfs/dbraw/zinc/10/04/37/780100437.db2.gz CMRHCOAPOOLDMC-UHFFFAOYSA-N 0 3 270.314 -1.082 20 0 CAADHN Cn1nnnc1CNCCCNC(=O)CCc1cn[nH]n1 ZINC001166966532 780100548 /nfs/dbraw/zinc/10/05/48/780100548.db2.gz AXRVYOABMOENRD-UHFFFAOYSA-N 0 3 293.335 -1.443 20 0 CAADHN Cn1nnnc1CNCCCNC(=O)CCc1c[nH]nn1 ZINC001166966532 780100553 /nfs/dbraw/zinc/10/05/53/780100553.db2.gz AXRVYOABMOENRD-UHFFFAOYSA-N 0 3 293.335 -1.443 20 0 CAADHN COCCN1CC([C@@H](C)NC(=O)CN2C(=O)CNC2=O)C1 ZINC001276462472 780102614 /nfs/dbraw/zinc/10/26/14/780102614.db2.gz ZVLOSJXGNMMYOZ-SECBINFHSA-N 0 3 298.343 -1.379 20 0 CAADHN COCCN1CC([C@H](C)NC(=O)CN2C(=O)CNC2=O)C1 ZINC001276462474 780102800 /nfs/dbraw/zinc/10/28/00/780102800.db2.gz ZVLOSJXGNMMYOZ-VIFPVBQESA-N 0 3 298.343 -1.379 20 0 CAADHN CCN1CC([C@@H](C)NC(=O)CS(=O)(=O)NC)C1 ZINC001276460880 780102897 /nfs/dbraw/zinc/10/28/97/780102897.db2.gz RSFMGASHWUHOMV-MRVPVSSYSA-N 0 3 263.363 -1.008 20 0 CAADHN Cn1cc(CN2C[C@@H](F)[C@@H](N)C2)c(=O)n(C)c1=O ZINC001204830405 780103896 /nfs/dbraw/zinc/10/38/96/780103896.db2.gz UEAJCSDAYSPAJL-BDAKNGLRSA-N 0 3 256.281 -1.435 20 0 CAADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2C[C@@H](F)[C@@H](N)C2)O1 ZINC001204819777 780103908 /nfs/dbraw/zinc/10/39/08/780103908.db2.gz KQFIKCASAPAEOJ-NZHYYXIDSA-N 0 3 278.324 -1.159 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001205838922 780106820 /nfs/dbraw/zinc/10/68/20/780106820.db2.gz GKZMMVNANARTCO-WCABBAIRSA-N 0 3 257.334 -1.060 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001205765860 780106759 /nfs/dbraw/zinc/10/67/59/780106759.db2.gz CMCDFGMLCKTKME-ZYHUDNBSSA-N 0 3 287.360 -1.432 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001205838920 780106972 /nfs/dbraw/zinc/10/69/72/780106972.db2.gz GKZMMVNANARTCO-FXPVBKGRSA-N 0 3 257.334 -1.060 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)Cn1cnnn1 ZINC001205896205 780108111 /nfs/dbraw/zinc/10/81/11/780108111.db2.gz MPESRMPICIVLQH-GHMZBOCLSA-N 0 3 298.347 -1.882 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CNC(=O)C1CC1 ZINC001206236530 780109505 /nfs/dbraw/zinc/10/95/05/780109505.db2.gz ZCUUYLTUUOLCBG-MWLCHTKSSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@H](CC(=O)N[C@@H]1CN(CCO)C[C@H]1C)NC(N)=O ZINC001206971563 780113893 /nfs/dbraw/zinc/11/38/93/780113893.db2.gz SGSLIEIOBDJSRU-OPRDCNLKSA-N 0 3 272.349 -1.138 20 0 CAADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001206928084 780114325 /nfs/dbraw/zinc/11/43/25/780114325.db2.gz GTQSNCYKSNETAA-GMTAPVOTSA-N 0 3 297.359 -1.128 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001206970096 780114602 /nfs/dbraw/zinc/11/46/02/780114602.db2.gz BKQKEPHWXUWYGT-NXEZZACHSA-N 0 3 293.389 -1.646 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001207107940 780115251 /nfs/dbraw/zinc/11/52/51/780115251.db2.gz KFOIEXJRJVHPLL-WCBMZHEXSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001207221515 780115330 /nfs/dbraw/zinc/11/53/30/780115330.db2.gz GWZKQCHKEMSVMA-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001207222093 780115571 /nfs/dbraw/zinc/11/55/71/780115571.db2.gz MZZKDVWVFVWLSE-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207257938 780115608 /nfs/dbraw/zinc/11/56/08/780115608.db2.gz AVIOCPAIIUGIKT-SNVBAGLBSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001207107941 780115637 /nfs/dbraw/zinc/11/56/37/780115637.db2.gz KFOIEXJRJVHPLL-WPRPVWTQSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001207099836 780115650 /nfs/dbraw/zinc/11/56/50/780115650.db2.gz KXMUPZPVLANHAN-JTQLQIEISA-N 0 3 270.333 -1.551 20 0 CAADHN NC(=O)NCC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001207258449 780115691 /nfs/dbraw/zinc/11/56/91/780115691.db2.gz NLVOXUQDHCACTF-JTQLQIEISA-N 0 3 297.359 -1.486 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001207116757 780115757 /nfs/dbraw/zinc/11/57/57/780115757.db2.gz OHHVNFQLKJCGKR-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)Cn1nccn1 ZINC001207152852 780115840 /nfs/dbraw/zinc/11/58/40/780115840.db2.gz HLRPBXFCERZXAL-VXGBXAGGSA-N 0 3 297.359 -1.277 20 0 CAADHN NC(=O)NCC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001207258450 780115855 /nfs/dbraw/zinc/11/58/55/780115855.db2.gz NLVOXUQDHCACTF-SNVBAGLBSA-N 0 3 297.359 -1.486 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001207107132 780115870 /nfs/dbraw/zinc/11/58/70/780115870.db2.gz DKJUUJZJLWHNFA-WDEREUQCSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 ZINC001207243513 780115937 /nfs/dbraw/zinc/11/59/37/780115937.db2.gz XMUWULUODMNTGS-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001207107130 780115961 /nfs/dbraw/zinc/11/59/61/780115961.db2.gz DKJUUJZJLWHNFA-MNOVXSKESA-N 0 3 282.344 -1.408 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207258309 780115984 /nfs/dbraw/zinc/11/59/84/780115984.db2.gz KJIAUVOEGJSBNV-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001207152758 780115997 /nfs/dbraw/zinc/11/59/97/780115997.db2.gz DKSHLZLHLXYSJX-IJLUTSLNSA-N 0 3 297.359 -1.278 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001207109710 780116131 /nfs/dbraw/zinc/11/61/31/780116131.db2.gz XJPINEOCBPCZAO-VIFPVBQESA-N 0 3 299.331 -2.102 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001207101929 780116179 /nfs/dbraw/zinc/11/61/79/780116179.db2.gz WTOIEDZSQOKZID-GFCCVEGCSA-N 0 3 296.371 -1.065 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001207327754 780116865 /nfs/dbraw/zinc/11/68/65/780116865.db2.gz FAGDESAJZHOVOZ-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCCN(C(=O)CNC(N)=O)C2)C1=O ZINC001207266696 780117151 /nfs/dbraw/zinc/11/71/51/780117151.db2.gz JUNQJQLFCNKXQF-VHSXEESVSA-N 0 3 297.359 -1.534 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CCOC)C[C@H]1C ZINC001207375937 780117491 /nfs/dbraw/zinc/11/74/91/780117491.db2.gz BRUWJNNOBREXQQ-NXEZZACHSA-N 0 3 272.349 -1.002 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001207306265 780117475 /nfs/dbraw/zinc/11/74/75/780117475.db2.gz GOEMNMQKMHAKRX-GHMZBOCLSA-N 0 3 287.360 -1.480 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001207290190 780117578 /nfs/dbraw/zinc/11/75/78/780117578.db2.gz UELKZIXNARPSTJ-NXEZZACHSA-N 0 3 293.389 -1.646 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207258743 780117720 /nfs/dbraw/zinc/11/77/20/780117720.db2.gz RNJSHAYKMAUQQM-SSDOTTSWSA-N 0 3 257.294 -2.279 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC001207462911 780118336 /nfs/dbraw/zinc/11/83/36/780118336.db2.gz KXKNKJYPVIPLRP-VIFPVBQESA-N 0 3 294.315 -1.201 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001207673144 780118625 /nfs/dbraw/zinc/11/86/25/780118625.db2.gz XAGKWEBTIDJPBY-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)CC(N)=O)C1)C(=O)N(C)C ZINC001207724606 780118684 /nfs/dbraw/zinc/11/86/84/780118684.db2.gz AZBJFWVFIWLPQC-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001207541337 780118734 /nfs/dbraw/zinc/11/87/34/780118734.db2.gz CSPGZRSNQFEGOX-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC001207570357 780118747 /nfs/dbraw/zinc/11/87/47/780118747.db2.gz OTERIAUJNAZRGO-VHSXEESVSA-N 0 3 298.343 -1.202 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001207542261 780119074 /nfs/dbraw/zinc/11/90/74/780119074.db2.gz ZLUUQRAEWUVOHV-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001207689100 780118911 /nfs/dbraw/zinc/11/89/11/780118911.db2.gz VJIUJHRIDJBGBO-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001207689102 780119105 /nfs/dbraw/zinc/11/91/05/780119105.db2.gz VJIUJHRIDJBGBO-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001207675013 780119196 /nfs/dbraw/zinc/11/91/96/780119196.db2.gz BDIWBJSKOSOMJY-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@H](N[C@H](C)C(N)=O)C1 ZINC001207698396 780119506 /nfs/dbraw/zinc/11/95/06/780119506.db2.gz QBUYWJBNKAWUNN-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001207734836 780119908 /nfs/dbraw/zinc/11/99/08/780119908.db2.gz OYLCKLODJQWRPE-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725395 780119970 /nfs/dbraw/zinc/11/99/70/780119970.db2.gz OEJNZIZQHSZJCC-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001207726446 780120051 /nfs/dbraw/zinc/12/00/51/780120051.db2.gz YTIMSOPDVVTFKE-JTQLQIEISA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001207790130 780120231 /nfs/dbraw/zinc/12/02/31/780120231.db2.gz RMMLLAYPWCZYMR-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CS(=O)(=O)CCN[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207726162 780120250 /nfs/dbraw/zinc/12/02/50/780120250.db2.gz WKEFKJUASKVXOG-SECBINFHSA-N 0 3 291.373 -1.513 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001207790127 780120741 /nfs/dbraw/zinc/12/07/41/780120741.db2.gz RMMLLAYPWCZYMR-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001207725074 780120771 /nfs/dbraw/zinc/12/07/71/780120771.db2.gz IDWWYQGLOFBQOM-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001207828956 780120852 /nfs/dbraw/zinc/12/08/52/780120852.db2.gz JNCDGRAPSVKBFI-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725087 780120923 /nfs/dbraw/zinc/12/09/23/780120923.db2.gz IOVUYIQGPWNFPH-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001207890215 780121623 /nfs/dbraw/zinc/12/16/23/780121623.db2.gz XFVGINNDAWDIMA-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001207902749 780121628 /nfs/dbraw/zinc/12/16/28/780121628.db2.gz TXOSKSNIYFEBIK-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CCN1C(=O)CCC1=O ZINC001207901531 780121653 /nfs/dbraw/zinc/12/16/53/780121653.db2.gz DCNNRCMZKOQULX-GHMZBOCLSA-N 0 3 297.355 -1.046 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001207889676 780121671 /nfs/dbraw/zinc/12/16/71/780121671.db2.gz ORNXKXQCPKKJAB-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001207875007 780121677 /nfs/dbraw/zinc/12/16/77/780121677.db2.gz GIWIGXWLRIZYCN-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)CC(=O)NC)C1 ZINC001207889442 780121840 /nfs/dbraw/zinc/12/18/40/780121840.db2.gz LCBALSGEHBQZCR-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001207875006 780121929 /nfs/dbraw/zinc/12/19/29/780121929.db2.gz GIWIGXWLRIZYCN-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001207889173 780122018 /nfs/dbraw/zinc/12/20/18/780122018.db2.gz GLZXKFCVNXKGEX-LLVKDONJSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001207902342 780122040 /nfs/dbraw/zinc/12/20/40/780122040.db2.gz LJCKOLFSYFHHBT-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001207902344 780122133 /nfs/dbraw/zinc/12/21/33/780122133.db2.gz LJCKOLFSYFHHBT-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001207957317 780122146 /nfs/dbraw/zinc/12/21/46/780122146.db2.gz GGVUBFUHVZKHJF-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001207902170 780122286 /nfs/dbraw/zinc/12/22/86/780122286.db2.gz KCHCJTVDMHASRZ-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207909623 780122570 /nfs/dbraw/zinc/12/25/70/780122570.db2.gz VKAHIXCYMFPVBD-JGVFFNPUSA-N 0 3 271.321 -1.891 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001207909880 780122585 /nfs/dbraw/zinc/12/25/85/780122585.db2.gz YRRHNJKWSFSPFX-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001207957312 780122626 /nfs/dbraw/zinc/12/26/26/780122626.db2.gz GGVUBFUHVZKHJF-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](N[C@H](C)C(N)=O)C1 ZINC001207898213 780122745 /nfs/dbraw/zinc/12/27/45/780122745.db2.gz MFOKRHGPZJLTGB-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001207898214 780122759 /nfs/dbraw/zinc/12/27/59/780122759.db2.gz MFOKRHGPZJLTGB-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001208121468 780123077 /nfs/dbraw/zinc/12/30/77/780123077.db2.gz OGBBNPVOCQCCRH-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053428 780123173 /nfs/dbraw/zinc/12/31/73/780123173.db2.gz WAKSHXPJXITVHZ-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208056837 780123187 /nfs/dbraw/zinc/12/31/87/780123187.db2.gz SCOYFNOELFUPRL-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001207958520 780123225 /nfs/dbraw/zinc/12/32/25/780123225.db2.gz PJRCDVJWTYFPMG-RKDXNWHRSA-N 0 3 284.316 -1.579 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208052747 780123237 /nfs/dbraw/zinc/12/32/37/780123237.db2.gz DWTZRUFNDOPKNS-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001207958517 780123687 /nfs/dbraw/zinc/12/36/87/780123687.db2.gz PJRCDVJWTYFPMG-BDAKNGLRSA-N 0 3 284.316 -1.579 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001208121466 780123793 /nfs/dbraw/zinc/12/37/93/780123793.db2.gz OGBBNPVOCQCCRH-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001208042715 780124124 /nfs/dbraw/zinc/12/41/24/780124124.db2.gz XGCDFRKNQLXROH-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001276554173 780124141 /nfs/dbraw/zinc/12/41/41/780124141.db2.gz XMNISILQZRDYLU-RKDXNWHRSA-N 0 3 268.317 -1.765 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053431 780124169 /nfs/dbraw/zinc/12/41/69/780124169.db2.gz WAKSHXPJXITVHZ-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)NCCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207989612 780124190 /nfs/dbraw/zinc/12/41/90/780124190.db2.gz RNNVJLHDSJDPBH-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001208279447 780124528 /nfs/dbraw/zinc/12/45/28/780124528.db2.gz PSPQRFRGXPDIJS-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC)C1 ZINC001208290205 780124564 /nfs/dbraw/zinc/12/45/64/780124564.db2.gz RUQJOTABIBFETI-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001208290203 780124572 /nfs/dbraw/zinc/12/45/72/780124572.db2.gz RUQJOTABIBFETI-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001208279273 780124697 /nfs/dbraw/zinc/12/46/97/780124697.db2.gz MDAVARLQCNIDEO-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001208279094 780124721 /nfs/dbraw/zinc/12/47/21/780124721.db2.gz HSJUZGDXDDFMEU-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001208284759 780124787 /nfs/dbraw/zinc/12/47/87/780124787.db2.gz AWYGQHYSKQVIDU-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC001208231273 780124861 /nfs/dbraw/zinc/12/48/61/780124861.db2.gz WMBPGIDTPUULCO-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC001208231341 780124888 /nfs/dbraw/zinc/12/48/88/780124888.db2.gz XSIIMBCDARVTHM-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001208279448 780125067 /nfs/dbraw/zinc/12/50/67/780125067.db2.gz PSPQRFRGXPDIJS-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC001208231342 780125093 /nfs/dbraw/zinc/12/50/93/780125093.db2.gz XSIIMBCDARVTHM-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001208290202 780125162 /nfs/dbraw/zinc/12/51/62/780125162.db2.gz RUQJOTABIBFETI-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC001208231109 780125203 /nfs/dbraw/zinc/12/52/03/780125203.db2.gz RUUWOUGMNMAWRI-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC001208230328 780125287 /nfs/dbraw/zinc/12/52/87/780125287.db2.gz HJXLZHZCXAWINS-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001208325120 780126704 /nfs/dbraw/zinc/12/67/04/780126704.db2.gz HTZYOBDVSGJHDB-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001208370186 780126906 /nfs/dbraw/zinc/12/69/06/780126906.db2.gz SNPIVRKWLUUOKD-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001208386951 780126918 /nfs/dbraw/zinc/12/69/18/780126918.db2.gz LSKBCWUGVFVRHC-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CS(=O)(=O)CCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001208432747 780127154 /nfs/dbraw/zinc/12/71/54/780127154.db2.gz JRBFBKKMLFPDSB-SECBINFHSA-N 0 3 291.373 -1.513 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001208473693 780128858 /nfs/dbraw/zinc/12/88/58/780128858.db2.gz DBMFLLULWFRJOZ-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001208959528 780129940 /nfs/dbraw/zinc/12/99/40/780129940.db2.gz CUFGKHLQJWVWOR-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)C(C)(C)C(N)=O)C1CC1 ZINC001276602528 780130079 /nfs/dbraw/zinc/13/00/79/780130079.db2.gz AEWBFJNTZHOJKN-SECBINFHSA-N 0 3 284.360 -1.272 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001208944796 780130720 /nfs/dbraw/zinc/13/07/20/780130720.db2.gz WFFMCOFZRKYYQY-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001208944791 780130746 /nfs/dbraw/zinc/13/07/46/780130746.db2.gz WFFMCOFZRKYYQY-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001208959526 780130762 /nfs/dbraw/zinc/13/07/62/780130762.db2.gz CUFGKHLQJWVWOR-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001209052101 780131452 /nfs/dbraw/zinc/13/14/52/780131452.db2.gz LYUOQDFZUIREOV-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001209123270 780131534 /nfs/dbraw/zinc/13/15/34/780131534.db2.gz YXWCXBGQRKRZQW-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209040942 780131908 /nfs/dbraw/zinc/13/19/08/780131908.db2.gz XWLGPKBWTXKRJU-VIFPVBQESA-N 0 3 295.347 -1.508 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001209222756 780132047 /nfs/dbraw/zinc/13/20/47/780132047.db2.gz LYUOQDFZUIREOV-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209039222 780132054 /nfs/dbraw/zinc/13/20/54/780132054.db2.gz HRWQYJYPXOGXNO-SECBINFHSA-N 0 3 295.347 -1.460 20 0 CAADHN CNC(=O)CCN(C)C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO ZINC001209275428 780132119 /nfs/dbraw/zinc/13/21/19/780132119.db2.gz XPBBXGVLNCYXHG-JFGNBEQYSA-N 0 3 290.360 -1.072 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001276634740 780132637 /nfs/dbraw/zinc/13/26/37/780132637.db2.gz WONLUXIDLMASOU-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001209346164 780132665 /nfs/dbraw/zinc/13/26/65/780132665.db2.gz ROUXJUWXRJMVHR-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001209313169 780132850 /nfs/dbraw/zinc/13/28/50/780132850.db2.gz CXMMLIAYQYZBOB-DTWKUNHWSA-N 0 3 283.332 -2.006 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209355227 780133210 /nfs/dbraw/zinc/13/32/10/780133210.db2.gz IEJZHDPRZOPSAP-ZCFIWIBFSA-N 0 3 271.277 -2.753 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209354085 780133249 /nfs/dbraw/zinc/13/32/49/780133249.db2.gz AIPBEAXGENAFRP-MRVPVSSYSA-N 0 3 256.306 -1.860 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001209346167 780133290 /nfs/dbraw/zinc/13/32/90/780133290.db2.gz ROUXJUWXRJMVHR-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209355237 780133321 /nfs/dbraw/zinc/13/33/21/780133321.db2.gz IEZGWPBTQNHUNZ-SFYZADRCSA-N 0 3 256.306 -1.813 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001209345740 780133343 /nfs/dbraw/zinc/13/33/43/780133343.db2.gz NHFNRUFLJMRUHO-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209355232 780133408 /nfs/dbraw/zinc/13/34/08/780133408.db2.gz IEZGWPBTQNHUNZ-HTQZYQBOSA-N 0 3 256.306 -1.813 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001209437658 780134179 /nfs/dbraw/zinc/13/41/79/780134179.db2.gz YVDRHAHEBQTHQB-JFGNBEQYSA-N 0 3 297.359 -1.128 20 0 CAADHN CCN(CC)C(=O)CN[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209385870 780134745 /nfs/dbraw/zinc/13/47/45/780134745.db2.gz IRFKITXLVFETAP-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)C(N)=O)C1)C(=O)NC1CC1 ZINC001209366989 780134855 /nfs/dbraw/zinc/13/48/55/780134855.db2.gz WTARNIZYTQYDKR-WPRPVWTQSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)C(N)=O)C1)C(=O)NC(N)=O ZINC001209367210 780134875 /nfs/dbraw/zinc/13/48/75/780134875.db2.gz ZHAWPHNHKZBPSG-RQJHMYQMSA-N 0 3 285.304 -2.364 20 0 CAADHN CC(C)N(C)C(=O)CN[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209385897 780134928 /nfs/dbraw/zinc/13/49/28/780134928.db2.gz IZSFRDDFEDBZRT-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)C(N)=O)C1)C(=O)NC(N)=O ZINC001209367204 780134941 /nfs/dbraw/zinc/13/49/41/780134941.db2.gz ZHAWPHNHKZBPSG-BQBZGAKWSA-N 0 3 285.304 -2.364 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)C(N)=O)C1CC1)C(=O)N(C)C ZINC001276648161 780135457 /nfs/dbraw/zinc/13/54/57/780135457.db2.gz HRFJGBIKSQXFSZ-APPZFPTMSA-N 0 3 270.333 -1.567 20 0 CAADHN C[C@H](NC(=O)CNC[C@@H](NC(=O)C(N)=O)C1CC1)C1CC1 ZINC001276648415 780135584 /nfs/dbraw/zinc/13/55/84/780135584.db2.gz MPHOEYBZHMSWLW-GZMMTYOYSA-N 0 3 296.371 -1.129 20 0 CAADHN C[C@@H](NC(=O)CNC[C@@H](NC(=O)C(N)=O)C1CC1)C1CC1 ZINC001276648418 780135684 /nfs/dbraw/zinc/13/56/84/780135684.db2.gz MPHOEYBZHMSWLW-LDYMZIIASA-N 0 3 296.371 -1.129 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001276648328 780136028 /nfs/dbraw/zinc/13/60/28/780136028.db2.gz KRSXTYPEAGVQIB-SNVBAGLBSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001209514041 780136416 /nfs/dbraw/zinc/13/64/16/780136416.db2.gz RCPCXSCYCCMPQJ-YGRLFVJLSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2nc[n-]n2)C1 ZINC001210198663 780137092 /nfs/dbraw/zinc/13/70/92/780137092.db2.gz PGYACIXFNDAPNA-SSDOTTSWSA-N 0 3 295.303 -1.806 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001210125039 780137134 /nfs/dbraw/zinc/13/71/34/780137134.db2.gz KMDJYWLSTUYFRV-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)C(=O)CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001210027300 780137186 /nfs/dbraw/zinc/13/71/86/780137186.db2.gz AFWYSLOSDQGRMZ-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CN(C)C(=O)CC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001210027807 780137289 /nfs/dbraw/zinc/13/72/89/780137289.db2.gz BXKNPOMNSVHSRZ-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001210079903 780137319 /nfs/dbraw/zinc/13/73/19/780137319.db2.gz JLZACQXLTUXELX-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CC(=O)N(C)C)C1 ZINC001210010797 780137702 /nfs/dbraw/zinc/13/77/02/780137702.db2.gz QTTUUCNUYGTZFN-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001210227201 780138028 /nfs/dbraw/zinc/13/80/28/780138028.db2.gz BFVOTBQRHYTMDL-SSDOTTSWSA-N 0 3 296.287 -1.541 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1 ZINC001210010798 780138273 /nfs/dbraw/zinc/13/82/73/780138273.db2.gz QTTUUCNUYGTZFN-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)C(=O)NCC2CC2)C1)C(N)=O ZINC001210388317 780138788 /nfs/dbraw/zinc/13/87/88/780138788.db2.gz LBBUPDBWADGVOB-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001210751267 780138973 /nfs/dbraw/zinc/13/89/73/780138973.db2.gz XAGKWEBTIDJPBY-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001210751266 780139251 /nfs/dbraw/zinc/13/92/51/780139251.db2.gz XAGKWEBTIDJPBY-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001210750869 780139381 /nfs/dbraw/zinc/13/93/81/780139381.db2.gz NBKIXNYKDCKUIK-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001210285150 780139457 /nfs/dbraw/zinc/13/94/57/780139457.db2.gz XYLGJRLAVFVKCQ-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCC1 ZINC001210804051 780139535 /nfs/dbraw/zinc/13/95/35/780139535.db2.gz FDICTIKUMYHPMM-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001210995681 780140493 /nfs/dbraw/zinc/14/04/93/780140493.db2.gz UFGFPSRIMHIPEU-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211009290 780140540 /nfs/dbraw/zinc/14/05/40/780140540.db2.gz XICVKOFEYWVDNF-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001210974186 780140836 /nfs/dbraw/zinc/14/08/36/780140836.db2.gz AIXJOSFTGDRPPM-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@H]1C ZINC001211084645 780140858 /nfs/dbraw/zinc/14/08/58/780140858.db2.gz UQNBGMWYXYNPBZ-KXUCPTDWSA-N 0 3 293.389 -1.647 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001210976705 780141653 /nfs/dbraw/zinc/14/16/53/780141653.db2.gz ZTZARKYTUDBSOD-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211002337 780141668 /nfs/dbraw/zinc/14/16/68/780141668.db2.gz RMAFTFVCWCEMOH-MRVPVSSYSA-N 0 3 271.321 -1.889 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CNC(=O)C2CCC2)C1 ZINC001211250920 780142627 /nfs/dbraw/zinc/14/26/27/780142627.db2.gz YFMOCEMPCKABOZ-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN CS(=O)(=O)CCCNC(=O)C[C@H]1CNCCO1 ZINC000091301606 780142941 /nfs/dbraw/zinc/14/29/41/780142941.db2.gz USELPWXJZLNXJO-VIFPVBQESA-N 0 3 264.347 -1.084 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](NC(=O)c2nnc[nH]2)[C@H](OC)C1 ZINC001213593234 780145833 /nfs/dbraw/zinc/14/58/33/780145833.db2.gz QIZQQXKMAHBAMC-IVZWLZJFSA-N 0 3 299.331 -1.759 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](NC(=O)c2ncn[nH]2)[C@H](OC)C1 ZINC001213593234 780145840 /nfs/dbraw/zinc/14/58/40/780145840.db2.gz QIZQQXKMAHBAMC-IVZWLZJFSA-N 0 3 299.331 -1.759 20 0 CAADHN COC[C@H](O)CN1C[C@@H](NC(=O)c2nnc[nH]2)[C@H](OC)C1 ZINC001213593235 780145889 /nfs/dbraw/zinc/14/58/89/780145889.db2.gz QIZQQXKMAHBAMC-OPRDCNLKSA-N 0 3 299.331 -1.759 20 0 CAADHN COC[C@H](O)CN1C[C@@H](NC(=O)c2ncn[nH]2)[C@H](OC)C1 ZINC001213593235 780145898 /nfs/dbraw/zinc/14/58/98/780145898.db2.gz QIZQQXKMAHBAMC-OPRDCNLKSA-N 0 3 299.331 -1.759 20 0 CAADHN CCN1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@H](OC)C1 ZINC001213829253 780146162 /nfs/dbraw/zinc/14/61/62/780146162.db2.gz PYXUYSZVYZQGOZ-OPRDCNLKSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@@H]1CN(C(=O)C(F)F)C[C@H]1NCC(=O)NC(N)=O ZINC001214017496 780147424 /nfs/dbraw/zinc/14/74/24/780147424.db2.gz CFZPRDXLYGMFEQ-PHDIDXHHSA-N 0 3 278.259 -1.117 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214059181 780147761 /nfs/dbraw/zinc/14/77/61/780147761.db2.gz RZHPEEBAGLMHCO-VXNVDRBHSA-N 0 3 299.331 -2.246 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001214059182 780148087 /nfs/dbraw/zinc/14/80/87/780148087.db2.gz RZURWUUPCBQYQC-BXKDBHETSA-N 0 3 296.371 -1.162 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001276707233 780148277 /nfs/dbraw/zinc/14/82/77/780148277.db2.gz CVEMQDUDEUCFNZ-LURQLKTLSA-N 0 3 268.317 -1.970 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001214058635 780148411 /nfs/dbraw/zinc/14/84/11/780148411.db2.gz DXXZCEHYXMRPGR-PSASIEDQSA-N 0 3 270.333 -1.695 20 0 CAADHN COCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214005194 780148487 /nfs/dbraw/zinc/14/84/87/780148487.db2.gz KOBNNTJJLJUXES-HTQZYQBOSA-N 0 3 272.305 -1.736 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1NCC(=O)NC(N)=O ZINC001214177270 780149202 /nfs/dbraw/zinc/14/92/02/780149202.db2.gz SUXNLCOYJNEXSH-VXNVDRBHSA-N 0 3 294.315 -1.345 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C ZINC001214167992 780149558 /nfs/dbraw/zinc/14/95/58/780149558.db2.gz WIVFPJDTWVKJFT-GMTAPVOTSA-N 0 3 285.344 -1.416 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C)C(=O)N(C)C ZINC001214118322 780149761 /nfs/dbraw/zinc/14/97/61/780149761.db2.gz FXVOPBYIUDPERR-KXUCPTDWSA-N 0 3 299.375 -1.432 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C)C(=O)N(C)C ZINC001214118323 780149996 /nfs/dbraw/zinc/14/99/96/780149996.db2.gz FXVOPBYIUDPERR-OPRDCNLKSA-N 0 3 299.375 -1.432 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C ZINC001214181327 780150175 /nfs/dbraw/zinc/15/01/75/780150175.db2.gz NTUDOSLFUNLJOM-MWLCHTKSSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1NCC(=O)N(C)C ZINC001214319747 780150755 /nfs/dbraw/zinc/15/07/55/780150755.db2.gz BFDVUMQPWTZDHA-GMTAPVOTSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2nnc[n-]2)C[C@H]1C ZINC001214411440 780150782 /nfs/dbraw/zinc/15/07/82/780150782.db2.gz SWDOURHVCGZEQJ-NXEZZACHSA-N 0 3 294.359 -1.080 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214370051 780150811 /nfs/dbraw/zinc/15/08/11/780150811.db2.gz IGIJJRXJCBTDQP-NXEZZACHSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@H]1C ZINC001214382875 780150829 /nfs/dbraw/zinc/15/08/29/780150829.db2.gz ZIPXHQXGXCTTFJ-PSASIEDQSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1C ZINC001214429077 780150913 /nfs/dbraw/zinc/15/09/13/780150913.db2.gz WCFFGIFWQKCLCT-GMTAPVOTSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001214241444 780151065 /nfs/dbraw/zinc/15/10/65/780151065.db2.gz MUTBZGBRJFRIJD-RKDXNWHRSA-N 0 3 291.373 -1.787 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C)C(=O)NC1CC1 ZINC001214373152 780151138 /nfs/dbraw/zinc/15/11/38/780151138.db2.gz NCIWTCVDFWXAJL-WCABBAIRSA-N 0 3 296.371 -1.035 20 0 CAADHN C[C@@H]1CN(C(=O)c2cocn2)C[C@H]1NCC(=O)NC(N)=O ZINC001214315679 780151165 /nfs/dbraw/zinc/15/11/65/780151165.db2.gz XOAWUXCFXSQZAB-HTQZYQBOSA-N 0 3 295.299 -1.080 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)NCC1CC1 ZINC001214375001 780151224 /nfs/dbraw/zinc/15/12/24/780151224.db2.gz CCTINZJHRARYMU-MWLCHTKSSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C ZINC001214319745 780151285 /nfs/dbraw/zinc/15/12/85/780151285.db2.gz BDWJXGAGJUVRTP-OPRDCNLKSA-N 0 3 282.344 -1.553 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214370309 780151336 /nfs/dbraw/zinc/15/13/36/780151336.db2.gz STIDXDWHEKFWGF-HTQZYQBOSA-N 0 3 256.306 -1.956 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1C ZINC001214386837 780151586 /nfs/dbraw/zinc/15/15/86/780151586.db2.gz NPFPSQKRISDBKO-UTUOFQBUSA-N 0 3 298.387 -1.501 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1C ZINC001214322634 780151600 /nfs/dbraw/zinc/15/16/00/780151600.db2.gz OPUIXYCKQUCLRR-GMTAPVOTSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1C ZINC001214429078 780151615 /nfs/dbraw/zinc/15/16/15/780151615.db2.gz WCFFGIFWQKCLCT-OUAUKWLOSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1NCC(=O)NC(N)=O ZINC001214263349 780151762 /nfs/dbraw/zinc/15/17/62/780151762.db2.gz QERQEDMDRXZPGV-KXUCPTDWSA-N 0 3 298.343 -1.346 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C2CN(C(C)=O)C2)C[C@H]1C ZINC001214514182 780152305 /nfs/dbraw/zinc/15/23/05/780152305.db2.gz QYQCQCBUTQCJRH-BXKDBHETSA-N 0 3 296.371 -1.353 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001214555320 780152333 /nfs/dbraw/zinc/15/23/33/780152333.db2.gz AQHXWFCDAPDIDI-RKDXNWHRSA-N 0 3 280.332 -1.389 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214553299 780152369 /nfs/dbraw/zinc/15/23/69/780152369.db2.gz OUFMOCIFAHPXGS-RKDXNWHRSA-N 0 3 280.332 -1.389 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)C[C@H]1C ZINC001214508516 780152493 /nfs/dbraw/zinc/15/24/93/780152493.db2.gz PAHHVBJWKPHERT-HRDYMLBCSA-N 0 3 285.348 -1.774 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543896 780152538 /nfs/dbraw/zinc/15/25/38/780152538.db2.gz SHFANJHAIWXRJN-KXUCPTDWSA-N 0 3 294.359 -1.000 20 0 CAADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCC(=O)N(C)C ZINC001214555576 780152610 /nfs/dbraw/zinc/15/26/10/780152610.db2.gz MDSZYJAOVISAAH-NXEZZACHSA-N 0 3 294.359 -1.047 20 0 CAADHN CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001214482094 780152980 /nfs/dbraw/zinc/15/29/80/780152980.db2.gz GHGWSLHJVIRWBJ-OUAUKWLOSA-N 0 3 296.371 -1.162 20 0 CAADHN CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C1 ZINC001214482255 780153103 /nfs/dbraw/zinc/15/31/03/780153103.db2.gz NFVHJRPRBOCDRO-OPRDCNLKSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C1 ZINC001214497672 780153193 /nfs/dbraw/zinc/15/31/93/780153193.db2.gz REOIVXIRYAETOK-IWSPIJDZSA-N 0 3 270.333 -1.567 20 0 CAADHN CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001214482093 780153310 /nfs/dbraw/zinc/15/33/10/780153310.db2.gz GHGWSLHJVIRWBJ-GMTAPVOTSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C ZINC001214478489 780153328 /nfs/dbraw/zinc/15/33/28/780153328.db2.gz ZHFYODKBPZRZSP-PSASIEDQSA-N 0 3 294.359 -1.202 20 0 CAADHN CNC(=O)CCCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214486038 780153376 /nfs/dbraw/zinc/15/33/76/780153376.db2.gz MSYGPSQITAWPHK-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1C ZINC001214843243 780154038 /nfs/dbraw/zinc/15/40/38/780154038.db2.gz IIVFDTAMZZMYIZ-OUAUKWLOSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C ZINC001214900111 780154244 /nfs/dbraw/zinc/15/42/44/780154244.db2.gz HEXJYZSOIDSEED-RKDXNWHRSA-N 0 3 284.360 -1.320 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214784809 780154460 /nfs/dbraw/zinc/15/44/60/780154460.db2.gz WZMDZGOXCQKMOU-NXEZZACHSA-N 0 3 299.375 -1.560 20 0 CAADHN C[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1NCC(N)=O ZINC001214768100 780154541 /nfs/dbraw/zinc/15/45/41/780154541.db2.gz BVAHSKAIKQODKQ-MWLCHTKSSA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C1 ZINC001214790002 780154543 /nfs/dbraw/zinc/15/45/43/780154543.db2.gz ARBPCIVOWBYLMW-IWSPIJDZSA-N 0 3 285.348 -1.774 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214692624 780154573 /nfs/dbraw/zinc/15/45/73/780154573.db2.gz DVSBSOAPLJRDPP-KXUCPTDWSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C[C@H](C)NC(N)=O)C[C@H]1C ZINC001214617077 780154575 /nfs/dbraw/zinc/15/45/75/780154575.db2.gz DUJLELSHLHIXSW-KXUCPTDWSA-N 0 3 299.375 -1.384 20 0 CAADHN COC[C@@]1(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)CCOC1 ZINC001215242731 780154998 /nfs/dbraw/zinc/15/49/98/780154998.db2.gz TVASIIGONPOPBV-GYSYKLTISA-N 0 3 299.371 -1.039 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215334705 780155107 /nfs/dbraw/zinc/15/51/07/780155107.db2.gz PYEBJQTXUDTUIH-HTQZYQBOSA-N 0 3 281.320 -1.994 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431604 780155187 /nfs/dbraw/zinc/15/51/87/780155187.db2.gz GUBYXERRWJDJLO-OPRDCNLKSA-N 0 3 296.371 -1.177 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@H]1C ZINC001215309055 780155236 /nfs/dbraw/zinc/15/52/36/780155236.db2.gz CAEIXCXDXYSVDL-RKDXNWHRSA-N 0 3 295.343 -1.078 20 0 CAADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NCC(=O)N(C)C ZINC001215334416 780155325 /nfs/dbraw/zinc/15/53/25/780155325.db2.gz LSXODWRCEPRIAD-RKDXNWHRSA-N 0 3 295.347 -1.652 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1C ZINC001215201817 780155492 /nfs/dbraw/zinc/15/54/92/780155492.db2.gz BCMRGEYADNTTPB-RULNRJAQSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1C ZINC001215033813 780155521 /nfs/dbraw/zinc/15/55/21/780155521.db2.gz NSPWZGSJGZNCBG-GMTAPVOTSA-N 0 3 296.371 -1.305 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001215234239 780155528 /nfs/dbraw/zinc/15/55/28/780155528.db2.gz LKECOFLQNNDHJD-RKDXNWHRSA-N 0 3 296.368 -1.554 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnco2)C[C@H]1NCC(=O)NC(N)=O ZINC001215261561 780155611 /nfs/dbraw/zinc/15/56/11/780155611.db2.gz IBILTRJRATZPPK-HTQZYQBOSA-N 0 3 295.299 -1.080 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C ZINC001215288309 780155667 /nfs/dbraw/zinc/15/56/67/780155667.db2.gz OLSHSWBYXLCFCB-VXNVDRBHSA-N 0 3 280.332 -1.091 20 0 CAADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NCC(=O)N(C)C ZINC001215830125 780156296 /nfs/dbraw/zinc/15/62/96/780156296.db2.gz XAZVZLLSFGFFRT-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1C ZINC001215482414 780156418 /nfs/dbraw/zinc/15/64/18/780156418.db2.gz LOMQZFGGMOYWRL-RULNRJAQSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H]1CN(C(=O)COC[C@@H]2CCOC2)C[C@H]1NCC(N)=O ZINC001215754873 780156566 /nfs/dbraw/zinc/15/65/66/780156566.db2.gz NDTVCBBKPMZXCI-IJLUTSLNSA-N 0 3 299.371 -1.039 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)NCC1CCC1 ZINC001215438885 780156683 /nfs/dbraw/zinc/15/66/83/780156683.db2.gz HXOBVWPHEFQVKM-MWLCHTKSSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1C ZINC001215525590 780156748 /nfs/dbraw/zinc/15/67/48/780156748.db2.gz VHUKWKWGHMKAIX-RULNRJAQSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C ZINC001215824827 780156888 /nfs/dbraw/zinc/15/68/88/780156888.db2.gz CXRLZTYPLGQZHW-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1C ZINC001215525589 780157143 /nfs/dbraw/zinc/15/71/43/780157143.db2.gz VHUKWKWGHMKAIX-GPCCPHFNSA-N 0 3 296.371 -1.305 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215439215 780157177 /nfs/dbraw/zinc/15/71/77/780157177.db2.gz ROCREXHUXIQAQH-RKDXNWHRSA-N 0 3 270.333 -1.567 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C ZINC001216108765 780157711 /nfs/dbraw/zinc/15/77/11/780157711.db2.gz FZVHOIFQZJIYFQ-MWLCHTKSSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@@H]1CN(C(=O)CC(=O)NCC2CC2)C[C@H]1NCC(N)=O ZINC001216295306 780157803 /nfs/dbraw/zinc/15/78/03/780157803.db2.gz SBTZBVPULFDTEE-MWLCHTKSSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215907779 780157852 /nfs/dbraw/zinc/15/78/52/780157852.db2.gz ORABDKSAMIXGEC-WCABBAIRSA-N 0 3 294.359 -1.000 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001216049668 780157884 /nfs/dbraw/zinc/15/78/84/780157884.db2.gz IOCOJGZDWZXUBZ-NXEZZACHSA-N 0 3 295.347 -1.754 20 0 CAADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C2)CC1 ZINC001215915880 780157889 /nfs/dbraw/zinc/15/78/89/780157889.db2.gz RGSXROMKDWDIFN-OPRDCNLKSA-N 0 3 296.371 -1.177 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NCC(N)=O ZINC001216113824 780157957 /nfs/dbraw/zinc/15/79/57/780157957.db2.gz OOFRJCFOTQJMNV-PSASIEDQSA-N 0 3 282.344 -1.566 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C ZINC001216455887 780158308 /nfs/dbraw/zinc/15/83/08/780158308.db2.gz OPUIXYCKQUCLRR-OUAUKWLOSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H]1CN(C(=O)CCCCC(N)=O)C[C@H]1NCC(N)=O ZINC001216306493 780158371 /nfs/dbraw/zinc/15/83/71/780158371.db2.gz NWEWXZQAUWOTKV-NXEZZACHSA-N 0 3 284.360 -1.046 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCC(=O)N(C)C ZINC001215907821 780158390 /nfs/dbraw/zinc/15/83/90/780158390.db2.gz QPAVQVBLKAGLEO-MWLCHTKSSA-N 0 3 294.359 -1.047 20 0 CAADHN CN(CCNC(=O)Nc1cnnn1C)CCOCCO ZINC001216970127 780159734 /nfs/dbraw/zinc/15/97/34/780159734.db2.gz REUJPGDLXGPQJT-UHFFFAOYSA-N 0 3 286.336 -1.123 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)C2CNC2)C1 ZINC000405104748 780159887 /nfs/dbraw/zinc/15/98/87/780159887.db2.gz YAWLJUCHEDHOAO-MRVPVSSYSA-N 0 3 297.402 -1.698 20 0 CAADHN O=S(=O)(C1CNC1)N1CCN(c2ncccn2)CC1 ZINC000405108838 780160000 /nfs/dbraw/zinc/16/00/00/780160000.db2.gz ZUVDLRKYAMGLNK-UHFFFAOYSA-N 0 3 283.357 -1.100 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C ZINC001217021940 780160054 /nfs/dbraw/zinc/16/00/54/780160054.db2.gz OFECJIADPLBGBV-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN O=C1CC[C@@H]2CN(S(=O)(=O)C3CNC3)CC[C@H]2N1 ZINC000405123980 780160063 /nfs/dbraw/zinc/16/00/63/780160063.db2.gz COUURHYOYYIUJQ-PSASIEDQSA-N 0 3 273.358 -1.112 20 0 CAADHN COCCCN1C[C@H]2OCCN(C(=O)CC(N)=O)[C@H]2C1 ZINC001217560520 780163154 /nfs/dbraw/zinc/16/31/54/780163154.db2.gz GWJLGDNOVIQIHS-WDEREUQCSA-N 0 3 285.344 -1.190 20 0 CAADHN Cn1cnc(NC(=O)[C@@H]2CNCCN2)c2ncnc1-2 ZINC001218494231 780163879 /nfs/dbraw/zinc/16/38/79/780163879.db2.gz FXNYAKSTANKOSN-ZETCQYMHSA-N 0 3 261.289 -1.185 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)Nc1nnnn1C ZINC001218497759 780165224 /nfs/dbraw/zinc/16/52/24/780165224.db2.gz UJMZZPJSUZCSAY-XPUUQOCRSA-N 0 3 269.309 -1.362 20 0 CAADHN Cc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)n[nH]1 ZINC001218498985 780165919 /nfs/dbraw/zinc/16/59/19/780165919.db2.gz KKMSYWAQYOVDAD-BQBZGAKWSA-N 0 3 282.304 -1.636 20 0 CAADHN COc1nn(C)cc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218505128 780165988 /nfs/dbraw/zinc/16/59/88/780165988.db2.gz NFZSXEUQYWNSRT-SECBINFHSA-N 0 3 281.316 -1.302 20 0 CAADHN Cc1cc(NC(=O)[C@@H]2COC3(CNC3)CN2)n[nH]1 ZINC001218498287 780166037 /nfs/dbraw/zinc/16/60/37/780166037.db2.gz DJAJHTNQFQKEFB-QMMMGPOBSA-N 0 3 251.290 -1.013 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N=c1nc[nH]n1C ZINC001218501158 780166255 /nfs/dbraw/zinc/16/62/55/780166255.db2.gz LPEQRSQBCFIQIR-CBAPKCEASA-N 0 3 268.321 -1.335 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)Nc1nnnn1C ZINC001218497149 780166316 /nfs/dbraw/zinc/16/63/16/780166316.db2.gz OTMDTQDFVZSBAL-ZETCQYMHSA-N 0 3 250.266 -1.548 20 0 CAADHN O=C(Nc1ncnc2n[nH]nc21)[C@@H]1COC2(CNC2)CN1 ZINC001218515910 780166838 /nfs/dbraw/zinc/16/68/38/780166838.db2.gz NQKUSRWOEUQFHX-LURJTMIESA-N 0 3 290.287 -1.983 20 0 CAADHN Cc1c[nH]nc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218515875 780166983 /nfs/dbraw/zinc/16/69/83/780166983.db2.gz ZJKQKTHZCBBEHY-MRVPVSSYSA-N 0 3 251.290 -1.013 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccnn1 ZINC001218509102 780167257 /nfs/dbraw/zinc/16/72/57/780167257.db2.gz HFJCXWKXSWQZFF-BQBZGAKWSA-N 0 3 280.288 -1.878 20 0 CAADHN O=C(N=c1ncnc2[nH][n-]cc1-2)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001218517643 780167365 /nfs/dbraw/zinc/16/73/65/780167365.db2.gz ITJBRRFTYKVJTA-MADCSZMMSA-N 0 3 273.300 -1.384 20 0 CAADHN O=C(N=c1ncnc2[nH][n-]cc1-2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218517662 780167506 /nfs/dbraw/zinc/16/75/06/780167506.db2.gz JPIBEWVLARCKRY-CNUIFLNQSA-N 0 3 273.300 -1.385 20 0 CAADHN O=C(N=c1ncnc2[nH][nH]cc1-2)[C@@H]1COC2(CNC2)CN1 ZINC001218518947 780168372 /nfs/dbraw/zinc/16/83/72/780168372.db2.gz WUYLARQAYBMJEU-QMMMGPOBSA-N 0 3 289.299 -2.005 20 0 CAADHN Nc1nonc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218540790 780168823 /nfs/dbraw/zinc/16/88/23/780168823.db2.gz AGVSEMVTEQELJL-YFKPBYRVSA-N 0 3 254.250 -2.079 20 0 CAADHN N[C@]1(C(=O)N=c2ncnc3[nH][n-]cc2-3)CCC[NH2+]C1 ZINC001218518661 780168946 /nfs/dbraw/zinc/16/89/46/780168946.db2.gz RWNCFLXGUSYSBP-LLVKDONJSA-N 0 3 261.289 -1.254 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncccc1N ZINC001218539109 780169091 /nfs/dbraw/zinc/16/90/91/780169091.db2.gz YMOHTYYWDGQTNO-XPUUQOCRSA-N 0 3 294.315 -1.690 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccnc1F ZINC001218545037 780169130 /nfs/dbraw/zinc/16/91/30/780169130.db2.gz UOWUSLJELQIOQV-XPUUQOCRSA-N 0 3 297.290 -1.133 20 0 CAADHN C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncccc1[O-] ZINC001218539527 780169399 /nfs/dbraw/zinc/16/93/99/780169399.db2.gz JMSFIHZHTRBAFU-BQBZGAKWSA-N 0 3 295.299 -1.567 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncccc1O ZINC001218539527 780169402 /nfs/dbraw/zinc/16/94/02/780169402.db2.gz JMSFIHZHTRBAFU-BQBZGAKWSA-N 0 3 295.299 -1.567 20 0 CAADHN Cc1nonc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218563957 780169846 /nfs/dbraw/zinc/16/98/46/780169846.db2.gz VGLPYKDXSLNIIG-NJGYIYPDSA-N 0 3 284.276 -1.976 20 0 CAADHN Cc1noc([N-]C(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1C(N)=O ZINC001218551697 780170700 /nfs/dbraw/zinc/17/07/00/780170700.db2.gz SWJYVHUDYWTLCU-PHDIDXHHSA-N 0 3 254.246 -1.257 20 0 CAADHN O=C(Nc1ncnn2cccc12)[C@H]1COC2(CNC2)CN1 ZINC001218563866 780170746 /nfs/dbraw/zinc/17/07/46/780170746.db2.gz FDZPICKCBWIGNS-SECBINFHSA-N 0 3 288.311 -1.580 20 0 CAADHN CC(C)C[C@H](NC(=O)CN)C(=O)Nc1cn[nH]c1C(N)=O ZINC001218565241 780170873 /nfs/dbraw/zinc/17/08/73/780170873.db2.gz RBFJVYGLSUPTIM-ZETCQYMHSA-N 0 3 296.331 -1.063 20 0 CAADHN NC(=O)c1n[nH]cc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218565256 780171317 /nfs/dbraw/zinc/17/13/17/780171317.db2.gz RTTOXCUXVKPVKE-ZETCQYMHSA-N 0 3 280.288 -2.223 20 0 CAADHN NC(=O)c1n[nH]cc1NC(=O)CN1CCCC[C@H](N)C1=O ZINC001218565629 780171368 /nfs/dbraw/zinc/17/13/68/780171368.db2.gz XAULWXHBTZCDKV-ZETCQYMHSA-N 0 3 294.315 -1.213 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnoc1 ZINC001218573917 780171390 /nfs/dbraw/zinc/17/13/90/780171390.db2.gz BEZIADSFHYCTMV-FSPLSTOPSA-N 0 3 269.261 -1.680 20 0 CAADHN CN1CCN(c2cc(NC(=O)[C@@H](N)CN)ncn2)CC1 ZINC001218573571 780171594 /nfs/dbraw/zinc/17/15/94/780171594.db2.gz YVRKJXAYFBPWPV-VIFPVBQESA-N 0 3 279.348 -1.547 20 0 CAADHN NC[C@H](N)C(=O)Nc1nccnc1N1CCOCC1 ZINC001218570160 780172237 /nfs/dbraw/zinc/17/22/37/780172237.db2.gz GSFGAAKVMLSPBE-QMMMGPOBSA-N 0 3 266.305 -1.462 20 0 CAADHN CN1CCN(c2ncc(NC(=O)[C@@H](N)CN)cn2)CC1 ZINC001218580578 780173540 /nfs/dbraw/zinc/17/35/40/780173540.db2.gz SCBJJOHCQDWXCB-JTQLQIEISA-N 0 3 279.348 -1.547 20 0 CAADHN NC(=O)c1nccnc1NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001218616924 780175282 /nfs/dbraw/zinc/17/52/82/780175282.db2.gz BEINKVLHPXXGFS-ZETCQYMHSA-N 0 3 275.272 -1.193 20 0 CAADHN NC(=O)c1nccnc1NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001218616924 780175287 /nfs/dbraw/zinc/17/52/87/780175287.db2.gz BEINKVLHPXXGFS-ZETCQYMHSA-N 0 3 275.272 -1.193 20 0 CAADHN N=c1ccc(F)c(N)n1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001218604992 780175545 /nfs/dbraw/zinc/17/55/45/780175545.db2.gz ZTXXJSHRGXEXGY-MRVPVSSYSA-N 0 3 281.291 -1.341 20 0 CAADHN Nc1cn(C(=O)[C@H]2COC3(CNC3)CN2)nc1N ZINC001218627277 780176311 /nfs/dbraw/zinc/17/63/11/780176311.db2.gz QQAQZHSIOFHLBO-SSDOTTSWSA-N 0 3 252.278 -1.982 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cncn1C ZINC001218622090 780176547 /nfs/dbraw/zinc/17/65/47/780176547.db2.gz NXLBPSQSIREIQK-BQBZGAKWSA-N 0 3 282.304 -1.934 20 0 CAADHN N=c1c(N)cnc(Cl)n1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218622863 780176614 /nfs/dbraw/zinc/17/66/14/780176614.db2.gz XRPIYGZQUCLRNA-ZETCQYMHSA-N 0 3 298.734 -1.431 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cn(C)nn1 ZINC001218628939 780176707 /nfs/dbraw/zinc/17/67/07/780176707.db2.gz PSKUUCFISBZTKG-WDSKDSINSA-N 0 3 283.292 -2.539 20 0 CAADHN Cn1cncc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218622357 780176835 /nfs/dbraw/zinc/17/68/35/780176835.db2.gz RUFBHCISXRTDIE-MRVPVSSYSA-N 0 3 251.290 -1.311 20 0 CAADHN O=C(Nc1cn[nH]c(=O)c1)[C@H]1COC2(CNC2)CN1 ZINC001218651712 780177809 /nfs/dbraw/zinc/17/78/09/780177809.db2.gz DFIRIGNSUUGIDP-MRVPVSSYSA-N 0 3 265.273 -1.549 20 0 CAADHN Nc1cnc(Cl)c(NC(=O)[C@@H]2COC3(CNC3)CN2)n1 ZINC001218674132 780180421 /nfs/dbraw/zinc/18/04/21/780180421.db2.gz RPKSIESEVRCUPH-LURJTMIESA-N 0 3 298.734 -1.019 20 0 CAADHN NC(=O)c1cnoc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218702157 780181860 /nfs/dbraw/zinc/18/18/60/780181860.db2.gz MRQRQLLXFRHBLN-ZETCQYMHSA-N 0 3 281.272 -1.958 20 0 CAADHN NC(=O)c1cnoc1[N-]C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001218702368 780183033 /nfs/dbraw/zinc/18/30/33/780183033.db2.gz OPNYDFDWAMCBSP-JTQLQIEISA-N 0 3 253.262 -1.207 20 0 CAADHN CC(=O)c1nn(C)cc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218709173 780183091 /nfs/dbraw/zinc/18/30/91/780183091.db2.gz XXMZJVSIXWPXJA-SNVBAGLBSA-N 0 3 293.327 -1.108 20 0 CAADHN CN(C)c1cc(NC(=O)[C@H]2COC3(CNC3)CN2)[nH]n1 ZINC001218742579 780183424 /nfs/dbraw/zinc/18/34/24/780183424.db2.gz IHAMPGGIXDBOQS-MRVPVSSYSA-N 0 3 280.332 -1.255 20 0 CAADHN O=C(Nc1ncccc1CCO)[C@@H]1COC2(CNC2)CN1 ZINC001218792678 780184325 /nfs/dbraw/zinc/18/43/25/780184325.db2.gz NLHAKXZBTWNRQY-NSHDSACASA-N 0 3 292.339 -1.115 20 0 CAADHN COC(=O)c1c[nH]c2ncnc(NC(=O)[C@@H](N)CN)c12 ZINC001218772173 780184652 /nfs/dbraw/zinc/18/46/52/780184652.db2.gz KEIXPQITOUXKOX-LURJTMIESA-N 0 3 278.272 -1.031 20 0 CAADHN CCc1c(NC(=O)[C@@H](N)CN)c(C(N)=O)nn1C ZINC001218788090 780185092 /nfs/dbraw/zinc/18/50/92/780185092.db2.gz LRKYMTQAWYSSQO-YFKPBYRVSA-N 0 3 254.294 -1.694 20 0 CAADHN Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1CNCCN1 ZINC001218914559 780186250 /nfs/dbraw/zinc/18/62/50/780186250.db2.gz ZAUQGCXFPYFBLA-JTQLQIEISA-N 0 3 299.356 -1.584 20 0 CAADHN CC(C)N(C)CC(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 ZINC001219055131 780186924 /nfs/dbraw/zinc/18/69/24/780186924.db2.gz YGSJQPWDIYLGLC-NWDGAFQWSA-N 0 3 298.387 -1.277 20 0 CAADHN COCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001219084325 780189227 /nfs/dbraw/zinc/18/92/27/780189227.db2.gz ZUKFNOJAUDNNTO-MXWKQRLJSA-N 0 3 258.318 -1.169 20 0 CAADHN COCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001219084324 780189918 /nfs/dbraw/zinc/18/99/18/780189918.db2.gz ZUKFNOJAUDNNTO-AXFHLTTASA-N 0 3 258.318 -1.169 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O ZINC001219110546 780194152 /nfs/dbraw/zinc/19/41/52/780194152.db2.gz SOQHITICPVWAGL-XQQFMLRXSA-N 0 3 299.371 -1.290 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001219110545 780194252 /nfs/dbraw/zinc/19/42/52/780194252.db2.gz SOQHITICPVWAGL-UPJWGTAASA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@H](CN1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1)OC ZINC001219110309 780194359 /nfs/dbraw/zinc/19/43/59/780194359.db2.gz KODMJTLJXFUBPG-UTUOFQBUSA-N 0 3 287.360 -1.291 20 0 CAADHN CCOCCCN1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219112222 780194462 /nfs/dbraw/zinc/19/44/62/780194462.db2.gz ZACVGTNSRNHUDX-NEPJUHHUSA-N 0 3 287.360 -1.290 20 0 CAADHN COCCCN1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158707 780196936 /nfs/dbraw/zinc/19/69/36/780196936.db2.gz MXOIGOKJMDBAJE-ZJUUUORDSA-N 0 3 284.320 -2.129 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001219158434 780197114 /nfs/dbraw/zinc/19/71/14/780197114.db2.gz AKPILQFZNMHJBC-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN CCCCN1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219162995 780197489 /nfs/dbraw/zinc/19/74/89/780197489.db2.gz AYPUFLTYYBLAKE-BDAKNGLRSA-N 0 3 258.322 -1.384 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001219221952 780201377 /nfs/dbraw/zinc/20/13/77/780201377.db2.gz OJCOJZBWHISUJA-NEPJUHHUSA-N 0 3 287.360 -1.338 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001219357775 780213037 /nfs/dbraw/zinc/21/30/37/780213037.db2.gz KOVMOTOMNQBJEE-UTUOFQBUSA-N 0 3 299.371 -1.147 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001219377545 780214182 /nfs/dbraw/zinc/21/41/82/780214182.db2.gz PMKPGOFXRPWJOD-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN CO[C@H](CN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)C1CCC1 ZINC001219413152 780219992 /nfs/dbraw/zinc/21/99/92/780219992.db2.gz KLXWZRGJTXXXLX-GRYCIOLGSA-N 0 3 299.371 -1.162 20 0 CAADHN COCCCCCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412854 780220003 /nfs/dbraw/zinc/22/00/03/780220003.db2.gz GAZKEDXRIWRHLG-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@@H]1O ZINC001219412920 780220086 /nfs/dbraw/zinc/22/00/86/780220086.db2.gz IWRYPWDPALYZAU-UTUOFQBUSA-N 0 3 299.371 -1.018 20 0 CAADHN C[C@H](O)CCCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413220 780220190 /nfs/dbraw/zinc/22/01/90/780220190.db2.gz MSQGBFNFWWKAMB-AEJSXWLSSA-N 0 3 273.333 -1.816 20 0 CAADHN CC[C@H](CN1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1)OC ZINC001219510033 780225836 /nfs/dbraw/zinc/22/58/36/780225836.db2.gz GICRVUPCWYAMNY-MXWKQRLJSA-N 0 3 287.360 -1.291 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219521816 780226750 /nfs/dbraw/zinc/22/67/50/780226750.db2.gz XYWUBRLGSPUOTH-YIZRAAEISA-N 0 3 258.322 -1.386 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CCC[C@H](C)O)C[C@@H]1O ZINC001219510636 780226849 /nfs/dbraw/zinc/22/68/49/780226849.db2.gz YGFYFIVFLDRHOL-AXFHLTTASA-N 0 3 287.360 -1.555 20 0 CAADHN CC(C)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001219554248 780229793 /nfs/dbraw/zinc/22/97/93/780229793.db2.gz YILJZQVFMSNDQS-CIUDSAMLSA-N 0 3 272.349 -1.146 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cncn1C ZINC001219558561 780230104 /nfs/dbraw/zinc/23/01/04/780230104.db2.gz QYWUBPREBXSJOL-FKTZTGRPSA-N 0 3 256.306 -1.852 20 0 CAADHN CC(C)OCCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219557826 780230537 /nfs/dbraw/zinc/23/05/37/780230537.db2.gz FSCISXNPCGDGOM-JTQLQIEISA-N 0 3 257.334 -1.142 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)[C@@H](N)CC[S@@](C)=O ZINC001219558214 780230789 /nfs/dbraw/zinc/23/07/89/780230789.db2.gz NBSNYAXIDAJKFG-XIZVWSJBSA-N 0 3 252.336 -2.060 20 0 CAADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](CO)[C@@H](C)O ZINC001219558564 780230872 /nfs/dbraw/zinc/23/08/72/780230872.db2.gz QZQIYGNIYLIIQW-ZRUFSTJUSA-N 0 3 289.376 -1.278 20 0 CAADHN COCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001219558327 780230970 /nfs/dbraw/zinc/23/09/70/780230970.db2.gz NJZKXNRQMPNNLO-YUMQZZPRSA-N 0 3 274.321 -2.154 20 0 CAADHN CCCN1C[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001219562490 780231597 /nfs/dbraw/zinc/23/15/97/780231597.db2.gz MUIVCQNWPFNWAF-ZJUUUORDSA-N 0 3 272.349 -1.123 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(N)=O ZINC001219563612 780231652 /nfs/dbraw/zinc/23/16/52/780231652.db2.gz DBFUYAWBCACHKN-WHFBIAKZSA-N 0 3 259.266 -3.705 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCCN1CCCCC1=O ZINC001219567567 780231836 /nfs/dbraw/zinc/23/18/36/780231836.db2.gz OVGXFDSJQDFLHU-SNVBAGLBSA-N 0 3 299.375 -1.109 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NCCn1ccnn1 ZINC001219565924 780232229 /nfs/dbraw/zinc/23/22/29/780232229.db2.gz PXRWBBGKOLUREE-JTQLQIEISA-N 0 3 263.305 -1.302 20 0 CAADHN O=C(NCCn1ccnn1)[C@H]1COC2(CNC2)CN1 ZINC001219565972 780232284 /nfs/dbraw/zinc/23/22/84/780232284.db2.gz RLWDMWVXVPCCLN-SECBINFHSA-N 0 3 266.305 -2.275 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCn1ccnc1 ZINC001219564317 780232468 /nfs/dbraw/zinc/23/24/68/780232468.db2.gz XWNOWAHQSBVFRX-IUCAKERBSA-N 0 3 296.331 -2.293 20 0 CAADHN Cn1ccnc1CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219564294 780232484 /nfs/dbraw/zinc/23/24/84/780232484.db2.gz XEYRQYYXGWAARI-SECBINFHSA-N 0 3 265.317 -1.633 20 0 CAADHN O=C(NCCn1ccnc1)[C@@H]1COC2(CNC2)CN1 ZINC001219563721 780232735 /nfs/dbraw/zinc/23/27/35/780232735.db2.gz JNSJYRBEFOSZSR-JTQLQIEISA-N 0 3 265.317 -1.670 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCCn1ccnn1 ZINC001219566068 780232803 /nfs/dbraw/zinc/23/28/03/780232803.db2.gz RVDULEVCROBBJL-MRVPVSSYSA-N 0 3 269.309 -1.830 20 0 CAADHN COCCCN1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001219585737 780233946 /nfs/dbraw/zinc/23/39/46/780233946.db2.gz SAUSSEVVIJHBBZ-MNOVXSKESA-N 0 3 297.359 -1.147 20 0 CAADHN CCOCCN1C[C@@H](NC(=O)Cc2n[nH]c(C)n2)[C@@H](O)C1 ZINC001219587400 780234378 /nfs/dbraw/zinc/23/43/78/780234378.db2.gz DJXRVMCWAZETJD-MNOVXSKESA-N 0 3 297.359 -1.147 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(C)(F)F ZINC001219601021 780236296 /nfs/dbraw/zinc/23/62/96/780236296.db2.gz LXSFNAAFNDOOEU-WDSKDSINSA-N 0 3 280.275 -1.535 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1c[nH]cn1 ZINC001219606272 780236420 /nfs/dbraw/zinc/23/64/20/780236420.db2.gz JBKWRJGGQZCRRZ-XPUUQOCRSA-N 0 3 282.304 -2.267 20 0 CAADHN O=C(NC[C@@H](O)c1ccco1)[C@@H]1COC2(CNC2)CN1 ZINC001219604339 780236444 /nfs/dbraw/zinc/23/64/44/780236444.db2.gz NAIFHYHUAPMELA-VHSXEESVSA-N 0 3 281.312 -1.240 20 0 CAADHN Cc1ccnc(CNC(=O)[C@H]2COC3(CNC3)CN2)n1 ZINC001219600415 780236708 /nfs/dbraw/zinc/23/67/08/780236708.db2.gz SLQSRPGOXUHOEP-SNVBAGLBSA-N 0 3 277.328 -1.268 20 0 CAADHN Cc1ccnc(CNC(=O)[C@@H]2COC3(CNC3)CN2)n1 ZINC001219600414 780236915 /nfs/dbraw/zinc/23/69/15/780236915.db2.gz SLQSRPGOXUHOEP-JTQLQIEISA-N 0 3 277.328 -1.268 20 0 CAADHN CS(=O)(=O)CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219608021 780237861 /nfs/dbraw/zinc/23/78/61/780237861.db2.gz MBDWYOBHMYOGFV-MRVPVSSYSA-N 0 3 277.346 -2.522 20 0 CAADHN CS(=O)(=O)CCNC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001219608330 780237893 /nfs/dbraw/zinc/23/78/93/780237893.db2.gz VKKRHEYUIBTOJY-QMMMGPOBSA-N 0 3 260.319 -1.560 20 0 CAADHN Cc1nocc1CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219608093 780238053 /nfs/dbraw/zinc/23/80/53/780238053.db2.gz OQPDQCGKFLWJHG-JTQLQIEISA-N 0 3 266.301 -1.070 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611561 780238572 /nfs/dbraw/zinc/23/85/72/780238572.db2.gz ZWTYZNRFVHMCQS-XNCJUZBTSA-N 0 3 293.253 -1.520 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611561 780238575 /nfs/dbraw/zinc/23/85/75/780238575.db2.gz ZWTYZNRFVHMCQS-XNCJUZBTSA-N 0 3 293.253 -1.520 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@]2(O)CCNC[C@@H]2F)C1 ZINC001219617070 780240069 /nfs/dbraw/zinc/24/00/69/780240069.db2.gz HNXVUVSJYWAKEF-JFGNBEQYSA-N 0 3 275.324 -1.504 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@]2(O)CCNC[C@@H]2F)C1 ZINC001219617069 780240333 /nfs/dbraw/zinc/24/03/33/780240333.db2.gz HNXVUVSJYWAKEF-JBLDHEPKSA-N 0 3 275.324 -1.504 20 0 CAADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1CNCc2ccnn21 ZINC001219616376 780240549 /nfs/dbraw/zinc/24/05/49/780240549.db2.gz ZIPCMRMFDVONOZ-GMXVVIOVSA-N 0 3 297.334 -1.294 20 0 CAADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@H]1CNCCC1=O ZINC001219620297 780241157 /nfs/dbraw/zinc/24/11/57/780241157.db2.gz ZJHHWGCRGRYRME-PTOFAABTSA-N 0 3 273.308 -1.656 20 0 CAADHN O=C(CN1CC[C@@H](O)C1)NC[C@]1(O)CCNC[C@@H]1F ZINC001219622515 780241370 /nfs/dbraw/zinc/24/13/70/780241370.db2.gz WLQDMQIFNUYUJJ-JFGNBEQYSA-N 0 3 275.324 -1.768 20 0 CAADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)c1[nH]nc2c1CNC2 ZINC001219628564 780243298 /nfs/dbraw/zinc/24/32/98/780243298.db2.gz YUDPJLUAIYDCIC-JOYOIKCWSA-N 0 3 283.307 -1.195 20 0 CAADHN Cn1cnc(CCNC(=O)[C@@H]2COC3(CNC3)CN2)c1 ZINC001219632517 780243548 /nfs/dbraw/zinc/24/35/48/780243548.db2.gz ODQJOCPJHDQHOT-NSHDSACASA-N 0 3 279.344 -1.591 20 0 CAADHN CC(C)C[C@H](CO)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219631144 780243580 /nfs/dbraw/zinc/24/35/80/780243580.db2.gz SIYANFPNBUYLCY-GHMZBOCLSA-N 0 3 271.361 -1.160 20 0 CAADHN Cn1nc2c(c1C(=O)NC[C@]1(O)CCNC[C@@H]1F)CNC2 ZINC001219630751 780243940 /nfs/dbraw/zinc/24/39/40/780243940.db2.gz JBDOLOMHYFJVGI-GXFFZTMASA-N 0 3 297.334 -1.184 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219637689 780244011 /nfs/dbraw/zinc/24/40/11/780244011.db2.gz JUVDAJHDVMVESN-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001219961517 780282296 /nfs/dbraw/zinc/28/22/96/780282296.db2.gz NKWBDCJYKDHPAX-YUMQZZPRSA-N 0 3 267.326 -1.258 20 0 CAADHN Cn1cnc(CCNC(=O)[C@H](N)CCCNC(N)=O)c1 ZINC001219633248 780244174 /nfs/dbraw/zinc/24/41/74/780244174.db2.gz ZQJOTBPUQSWPOO-SNVBAGLBSA-N 0 3 282.348 -1.145 20 0 CAADHN C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001219642260 780245597 /nfs/dbraw/zinc/24/55/97/780245597.db2.gz QUGMVCKYCRMGDQ-CIUDSAMLSA-N 0 3 267.337 -1.569 20 0 CAADHN C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001219642260 780245604 /nfs/dbraw/zinc/24/56/04/780245604.db2.gz QUGMVCKYCRMGDQ-CIUDSAMLSA-N 0 3 267.337 -1.569 20 0 CAADHN O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1COC2(CNC2)CN1 ZINC001219671157 780245851 /nfs/dbraw/zinc/24/58/51/780245851.db2.gz ADXHQFQLXRPWIZ-IUCAKERBSA-N 0 3 289.357 -2.380 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001219675112 780246715 /nfs/dbraw/zinc/24/67/15/780246715.db2.gz MZZOLANUTBTYDN-MXWKQRLJSA-N 0 3 287.360 -1.293 20 0 CAADHN CCOC(=O)c1nc[nH]c1CNC(=O)[C@@H](N)CN ZINC001219676658 780247716 /nfs/dbraw/zinc/24/77/16/780247716.db2.gz SAZPCQMXZCMFQI-LURJTMIESA-N 0 3 255.278 -1.511 20 0 CAADHN NC(=O)C1(NC(=O)[C@@H](N)C2CCC(O)CC2)CC1 ZINC001219682412 780248231 /nfs/dbraw/zinc/24/82/31/780248231.db2.gz MMBAMVUTFDHEPZ-HACHORDNSA-N 0 3 255.318 -1.001 20 0 CAADHN CN(C(=O)CCNC(=O)[C@@H]1COC2(CNC2)CN1)C1CC1 ZINC001219692992 780248539 /nfs/dbraw/zinc/24/85/39/780248539.db2.gz LKJVPLCHUBLRQN-NSHDSACASA-N 0 3 296.371 -1.556 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCON ZINC001219970118 780286826 /nfs/dbraw/zinc/28/68/26/780286826.db2.gz VBFWZXLHWMHIRO-WDSKDSINSA-N 0 3 261.282 -3.300 20 0 CAADHN CN1CCO[C@@H](CNC(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001219694027 780249094 /nfs/dbraw/zinc/24/90/94/780249094.db2.gz DGQXLTQWLHHHGJ-WDEREUQCSA-N 0 3 267.333 -1.274 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@H]1CN(C)CCO1 ZINC001219695271 780249978 /nfs/dbraw/zinc/24/99/78/780249978.db2.gz SVQBUBZAQCIINK-RYUDHWBXSA-N 0 3 281.360 -1.263 20 0 CAADHN CN1CCO[C@H](CNC(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001219694498 780250337 /nfs/dbraw/zinc/25/03/37/780250337.db2.gz KBJRFRFYIGJWQQ-JJQCHNSYSA-N 0 3 277.390 -1.471 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccn1C ZINC001219698540 780250627 /nfs/dbraw/zinc/25/06/27/780250627.db2.gz CXBABAPHFJMJEX-WPRPVWTQSA-N 0 3 295.343 -1.651 20 0 CAADHN CN1CCO[C@@H](CNC(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001219694500 780251057 /nfs/dbraw/zinc/25/10/57/780251057.db2.gz KBJRFRFYIGJWQQ-RAALSFIWSA-N 0 3 277.390 -1.471 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1CN(C)CCO1 ZINC001219695270 780251171 /nfs/dbraw/zinc/25/11/71/780251171.db2.gz SVQBUBZAQCIINK-NEPJUHHUSA-N 0 3 281.360 -1.263 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736399 780253103 /nfs/dbraw/zinc/25/31/03/780253103.db2.gz PZTFYLIABPTMML-ZJUUUORDSA-N 0 3 293.389 -1.553 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)[C@@H](O)C1 ZINC001219733558 780253812 /nfs/dbraw/zinc/25/38/12/780253812.db2.gz UDHGRYNWARUVPP-TUAOUCFPSA-N 0 3 299.371 -1.338 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1O ZINC001219751869 780256477 /nfs/dbraw/zinc/25/64/77/780256477.db2.gz GTYMZDLRQZWPKX-MNOVXSKESA-N 0 3 284.360 -1.123 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001219742477 780257621 /nfs/dbraw/zinc/25/76/21/780257621.db2.gz GYRHNFVYQGMRHX-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN COCCCN1C[C@@H](NC(=O)C[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001219792371 780260963 /nfs/dbraw/zinc/26/09/63/780260963.db2.gz HFSLBBYHUDZRGU-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001219798022 780261049 /nfs/dbraw/zinc/26/10/49/780261049.db2.gz CNLPIROMRLOVJI-MXWKQRLJSA-N 0 3 298.387 -1.494 20 0 CAADHN CN(C)[C@@H](C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O)C1CC1 ZINC001219805956 780262164 /nfs/dbraw/zinc/26/21/64/780262164.db2.gz WWLGAUAXIRGTDC-FRRDWIJNSA-N 0 3 285.388 -1.130 20 0 CAADHN CNC(=O)CN1C[C@@H](NC(=O)[C@@H](C2CC2)N(C)C)[C@@H](O)C1 ZINC001219804232 780262265 /nfs/dbraw/zinc/26/22/65/780262265.db2.gz QFUSJANVJAKSRS-NTZNESFSSA-N 0 3 298.387 -1.766 20 0 CAADHN CN(C)[C@H](C(=O)N[C@@H]1CN(CCO)C[C@@H]1O)C1CC1 ZINC001219805644 780263114 /nfs/dbraw/zinc/26/31/14/780263114.db2.gz OMXWWTNHYDDEFD-WOPDTQHZSA-N 0 3 271.361 -1.520 20 0 CAADHN CN(C)[C@@H](C(=O)N[C@@H]1CN(CCO)C[C@@H]1O)C1CC1 ZINC001219805641 780263352 /nfs/dbraw/zinc/26/33/52/780263352.db2.gz OMXWWTNHYDDEFD-GRYCIOLGSA-N 0 3 271.361 -1.520 20 0 CAADHN CN(CC(=O)N[C@@H]1CN(CCO)C[C@@H]1O)C1CCC1 ZINC001219815963 780264275 /nfs/dbraw/zinc/26/42/75/780264275.db2.gz SVRVKANJQTUIDJ-NEPJUHHUSA-N 0 3 271.361 -1.376 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(CCO)C[C@@H]1O)N(C)C ZINC001219848870 780267260 /nfs/dbraw/zinc/26/72/60/780267260.db2.gz WCMJSHUCFWXSCL-WOPDTQHZSA-N 0 3 273.377 -1.274 20 0 CAADHN COCCCN1C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001219841611 780267295 /nfs/dbraw/zinc/26/72/95/780267295.db2.gz RWRMAQAMYPOSMM-ZJUUUORDSA-N 0 3 287.360 -1.304 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)N(C)C ZINC001219845377 780267700 /nfs/dbraw/zinc/26/77/00/780267700.db2.gz IRVARVSIIYDOOQ-SCVCMEIPSA-N 0 3 286.376 -1.781 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2CCCNC2=O)[C@@H](O)C1 ZINC001219839332 780268658 /nfs/dbraw/zinc/26/86/58/780268658.db2.gz LCGSANTVGDEKEI-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850600 780269861 /nfs/dbraw/zinc/26/98/61/780269861.db2.gz YWFGQXWUSFANMY-AATLWQCWSA-N 0 3 295.347 -2.190 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850600 780269866 /nfs/dbraw/zinc/26/98/66/780269866.db2.gz YWFGQXWUSFANMY-AATLWQCWSA-N 0 3 295.347 -2.190 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2CCCC(=O)N2)[C@@H](O)C1 ZINC001219853475 780269954 /nfs/dbraw/zinc/26/99/54/780269954.db2.gz WKVVVEJTNQUQSU-UTUOFQBUSA-N 0 3 299.371 -1.147 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O)N(C)C ZINC001219874671 780270627 /nfs/dbraw/zinc/27/06/27/780270627.db2.gz CHQDQPNNMKYDDF-MXWKQRLJSA-N 0 3 286.376 -1.766 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O ZINC001219879715 780271003 /nfs/dbraw/zinc/27/10/03/780271003.db2.gz LOZKAGPAJDMURO-YEPSODPASA-N 0 3 270.289 -1.682 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O ZINC001219879715 780271014 /nfs/dbraw/zinc/27/10/14/780271014.db2.gz LOZKAGPAJDMURO-YEPSODPASA-N 0 3 270.289 -1.682 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cncn1C)[C@@H](C)O ZINC001219879680 780271076 /nfs/dbraw/zinc/27/10/76/780271076.db2.gz JQBYMGPSEDTHNM-JEZHCXPESA-N 0 3 284.316 -1.672 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H](O)CO)COC1(C)C ZINC001219866013 780271491 /nfs/dbraw/zinc/27/14/91/780271491.db2.gz YTEDLQYISXQHBX-YIZRAAEISA-N 0 3 289.332 -2.234 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@H](N)CCCNC(N)=O)[C@@H](C)O ZINC001219879375 780271794 /nfs/dbraw/zinc/27/17/94/780271794.db2.gz FLEHJNYTFQESTH-PRJMDXOYSA-N 0 3 290.320 -2.199 20 0 CAADHN CCOC(=O)CC(=N)NC(=O)[C@H](N)CCCNC(N)=O ZINC001219882399 780272264 /nfs/dbraw/zinc/27/22/64/780272264.db2.gz FOGXCDIPVFCSGY-SSDOTTSWSA-N 0 3 287.320 -1.191 20 0 CAADHN CC(C)OC(=O)[C@H](C)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219880775 780272547 /nfs/dbraw/zinc/27/25/47/780272547.db2.gz JENKYJOQMHDOTI-VHSXEESVSA-N 0 3 285.344 -1.227 20 0 CAADHN CC(C)OC(=O)[C@H](C)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219880774 780272704 /nfs/dbraw/zinc/27/27/04/780272704.db2.gz JENKYJOQMHDOTI-UWVGGRQHSA-N 0 3 285.344 -1.227 20 0 CAADHN CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001219891452 780274747 /nfs/dbraw/zinc/27/47/47/780274747.db2.gz UQQYMFCMZABIFQ-GIPNMCIBSA-N 0 3 297.359 -1.501 20 0 CAADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001219903365 780275266 /nfs/dbraw/zinc/27/52/66/780275266.db2.gz ZFXNMUZKOXNSLU-ZJUUUORDSA-N 0 3 286.376 -1.637 20 0 CAADHN N[C@H](C(=O)N[C@@H]1SC(=O)[N-]C1=O)C1CC[NH2+]CC1 ZINC001219903753 780275593 /nfs/dbraw/zinc/27/55/93/780275593.db2.gz GECMQJQJTOUBGB-IMTBSYHQSA-N 0 3 272.330 -1.261 20 0 CAADHN N[C@@H](C(=O)N[C@H]1SC(=O)[N-]C1=O)C1CC[NH2+]CC1 ZINC001219903754 780275627 /nfs/dbraw/zinc/27/56/27/780275627.db2.gz GECMQJQJTOUBGB-MUWHJKNJSA-N 0 3 272.330 -1.261 20 0 CAADHN NC[C@H](N)C(=O)N[C@]12C[C@H]1CN(C(=O)c1ccco1)C2 ZINC001219901103 780275807 /nfs/dbraw/zinc/27/58/07/780275807.db2.gz CVLSSPLJWAWDPS-RVBZMBCESA-N 0 3 278.312 -1.104 20 0 CAADHN O=C(N[C@@H]1SC(=O)[N-]C1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219904126 780275948 /nfs/dbraw/zinc/27/59/48/780275948.db2.gz RAEJQIYVSUDILZ-AZTOOPQRSA-N 0 3 284.341 -1.389 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959220 780276758 /nfs/dbraw/zinc/27/67/58/780276758.db2.gz MYPXVODMYNJFEW-WFKSXWRXSA-N 0 3 261.347 -1.523 20 0 CAADHN N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001219904664 780276925 /nfs/dbraw/zinc/27/69/25/780276925.db2.gz YTGLZVJYXOXQTM-YLWLKBPMSA-N 0 3 260.319 -1.132 20 0 CAADHN O=C(N[C@@H]1SC(=O)[N-]C1=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219904690 780277184 /nfs/dbraw/zinc/27/71/84/780277184.db2.gz ZHBMLXSNKNAJNF-SVGQVSJJSA-N 0 3 270.314 -1.779 20 0 CAADHN O=C(N[C@@H]1SC(=O)[N-]C1=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219904693 780277227 /nfs/dbraw/zinc/27/72/27/780277227.db2.gz ZHBMLXSNKNAJNF-YLWLKBPMSA-N 0 3 270.314 -1.779 20 0 CAADHN Cc1nccn1CCNC(=O)[C@H](C)NC(=O)[C@@H](N)CO ZINC001219934903 780278417 /nfs/dbraw/zinc/27/84/17/780278417.db2.gz SDARHMIGQOGNNF-WPRPVWTQSA-N 0 3 283.332 -1.868 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945625 780278549 /nfs/dbraw/zinc/27/85/49/780278549.db2.gz ONGMRHBUUBOHKF-APPZFPTMSA-N 0 3 270.314 -1.294 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959267 780280198 /nfs/dbraw/zinc/28/01/98/780280198.db2.gz OZGRZKXQMPLYLW-HTQZYQBOSA-N 0 3 271.321 -1.843 20 0 CAADHN O=C(NC[C@@H]1CCC(=O)N1)[C@H]1COC2(CNC2)CN1 ZINC001219959049 780280343 /nfs/dbraw/zinc/28/03/43/780280343.db2.gz GMWARTZGFUWMFI-DTWKUNHWSA-N 0 3 268.317 -2.288 20 0 CAADHN Cc1c[nH]c(CCNC(=O)[C@H]2COC3(CNC3)CN2)n1 ZINC001219952311 780280366 /nfs/dbraw/zinc/28/03/66/780280366.db2.gz RZNBYNLUIHWJKE-SNVBAGLBSA-N 0 3 279.344 -1.293 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959219 780280687 /nfs/dbraw/zinc/28/06/87/780280687.db2.gz MYPXVODMYNJFEW-SNPJHEAGSA-N 0 3 261.347 -1.523 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CCC(=O)N1 ZINC001219958909 780280945 /nfs/dbraw/zinc/28/09/45/780280945.db2.gz ALMOURGSASAYSJ-AUTRQRHGSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CCC(=O)N1 ZINC001219958910 780281245 /nfs/dbraw/zinc/28/12/45/780281245.db2.gz ALMOURGSASAYSJ-SBMIAAHKSA-N 0 3 284.360 -1.129 20 0 CAADHN Cc1nonc1CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219948102 780281347 /nfs/dbraw/zinc/28/13/47/780281347.db2.gz KTTFKKYDASSFQP-VIFPVBQESA-N 0 3 267.289 -1.675 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959408 780281382 /nfs/dbraw/zinc/28/13/82/780281382.db2.gz UCPKVSDYXUWKTC-WPRPVWTQSA-N 0 3 265.317 -1.315 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001219961768 780282419 /nfs/dbraw/zinc/28/24/19/780282419.db2.gz VWUUMMVQWFYPMD-HYORBCNSSA-N 0 3 285.391 -2.252 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC[S@@](C)=O)CN1 ZINC001219965420 780282869 /nfs/dbraw/zinc/28/28/69/780282869.db2.gz MWDWZTRUQBCTMS-JQJHNJSSSA-N 0 3 291.373 -1.898 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@@H](N)Cc1cncn1C ZINC001219961177 780283010 /nfs/dbraw/zinc/28/30/10/780283010.db2.gz IJCFTTQZHGRTAW-VIFPVBQESA-N 0 3 289.361 -2.045 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001219961428 780283197 /nfs/dbraw/zinc/28/31/97/780283197.db2.gz KHSVDIQWACGUDI-QMMMGPOBSA-N 0 3 275.334 -2.055 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001219961428 780283206 /nfs/dbraw/zinc/28/32/06/780283206.db2.gz KHSVDIQWACGUDI-QMMMGPOBSA-N 0 3 275.334 -2.055 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219968026 780283726 /nfs/dbraw/zinc/28/37/26/780283726.db2.gz SRVNHKKWKYQRLR-KOLCDFICSA-N 0 3 292.343 -1.082 20 0 CAADHN O=C(CNC1CC[NH2+]CC1)NCCCc1c[n-][nH]c1=O ZINC001219968045 780283752 /nfs/dbraw/zinc/28/37/52/780283752.db2.gz TXLICYZHAKVENK-SNVBAGLBSA-N 0 3 281.360 -1.044 20 0 CAADHN N[C@H]1C[NH2+]C[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001219969436 780284217 /nfs/dbraw/zinc/28/42/17/780284217.db2.gz ACVZHJWKZFIVPA-VGMNWLOBSA-N 0 3 253.306 -1.839 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219967912 780284276 /nfs/dbraw/zinc/28/42/76/780284276.db2.gz OIMZGZLUDRQPIB-DTWKUNHWSA-N 0 3 298.347 -1.610 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001219968319 780284349 /nfs/dbraw/zinc/28/43/49/780284349.db2.gz ZSLLEXDZVYQHRP-CWSCBRNRSA-N 0 3 279.344 -1.434 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001219969567 780284545 /nfs/dbraw/zinc/28/45/45/780284545.db2.gz FMMRQUIBASPWHE-CIUDSAMLSA-N 0 3 254.290 -1.805 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219967730 780284671 /nfs/dbraw/zinc/28/46/71/780284671.db2.gz HRIGJSJHXVBMPU-VPOLOUISSA-N 0 3 279.344 -1.436 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001219969568 780285188 /nfs/dbraw/zinc/28/51/88/780285188.db2.gz FMMRQUIBASPWHE-DJLDLDEBSA-N 0 3 254.290 -1.805 20 0 CAADHN O=C(NCCn1cccc1)[C@@H]1COC2(CNC2)CN1 ZINC001219969465 780285244 /nfs/dbraw/zinc/28/52/44/780285244.db2.gz ATKZCBKDKGQWCS-NSHDSACASA-N 0 3 264.329 -1.065 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001219970348 780285690 /nfs/dbraw/zinc/28/56/90/780285690.db2.gz YUMZCPKMZFTTGT-CIUDSAMLSA-N 0 3 254.290 -1.663 20 0 CAADHN N[C@]1(C(=O)NCCCc2c[n-][nH]c2=O)CCC[NH2+]C1 ZINC001219970011 780285739 /nfs/dbraw/zinc/28/57/39/780285739.db2.gz RSAZOCWJWKLQNR-JOYOIKCWSA-N 0 3 267.333 -1.305 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219970349 780285772 /nfs/dbraw/zinc/28/57/72/780285772.db2.gz YUMZCPKMZFTTGT-DJLDLDEBSA-N 0 3 254.290 -1.663 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001219970350 780285820 /nfs/dbraw/zinc/28/58/20/780285820.db2.gz YUMZCPKMZFTTGT-IWSPIJDZSA-N 0 3 254.290 -1.663 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC(=O)OC ZINC001219975778 780286082 /nfs/dbraw/zinc/28/60/82/780286082.db2.gz WQAVZAQHJNAXFR-XVKPBYJWSA-N 0 3 259.306 -1.235 20 0 CAADHN N[C@@]1(C(=O)NCCCc2c[n-][nH]c2=O)CCC[NH2+]C1 ZINC001219970010 780286128 /nfs/dbraw/zinc/28/61/28/780286128.db2.gz RSAZOCWJWKLQNR-CABZTGNLSA-N 0 3 267.333 -1.305 20 0 CAADHN O=C(CN1CC[NH2+]CC1)NCCCc1c[n-][nH]c1=O ZINC001219969868 780286306 /nfs/dbraw/zinc/28/63/06/780286306.db2.gz PCDLLHRRYBQQAU-JTQLQIEISA-N 0 3 267.333 -1.480 20 0 CAADHN O=C(CNC(=O)[C@@H]1CNCCN1)NC1CCCC1 ZINC001219976154 780286330 /nfs/dbraw/zinc/28/63/30/780286330.db2.gz CJBZJHGJJKMARW-JTQLQIEISA-N 0 3 254.334 -1.277 20 0 CAADHN O=C(CNC(=O)[C@@H]1COC2(CNC2)CN1)NC1CCCC1 ZINC001219975125 780286341 /nfs/dbraw/zinc/28/63/41/780286341.db2.gz NZEYQTNOWKPKSS-NSHDSACASA-N 0 3 296.371 -1.508 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969694 780286433 /nfs/dbraw/zinc/28/64/33/780286433.db2.gz IYQLYFXOCCYRHC-OCCIGCLGSA-N 0 3 288.373 -1.290 20 0 CAADHN O=C(CN1CC[NH2+]CC1)NCCCc1c[n-][nH]c1=O ZINC001219969869 780286555 /nfs/dbraw/zinc/28/65/55/780286555.db2.gz PCDLLHRRYBQQAU-SNVBAGLBSA-N 0 3 267.333 -1.480 20 0 CAADHN Cn1c(NC(=O)[C@@H](N)CN)c(N=O)c(=O)[nH]c1=O ZINC001219984242 780287317 /nfs/dbraw/zinc/28/73/17/780287317.db2.gz ASUPSVCEPOFHJR-VKHMYHEASA-N 0 3 256.222 -1.892 20 0 CAADHN O=C(NCc1ccncn1)[C@H]1COC2(CNC2)CN1 ZINC001220004811 780287513 /nfs/dbraw/zinc/28/75/13/780287513.db2.gz DXVUZHHGEYFFNL-SNVBAGLBSA-N 0 3 263.301 -1.577 20 0 CAADHN COC(=O)C1(NC(=O)[C@@H](N)Cc2nnn[n-]2)CC[NH2+]CC1 ZINC001219998772 780288407 /nfs/dbraw/zinc/28/84/07/780288407.db2.gz BHCOROVASGSGKT-ZETCQYMHSA-N 0 3 297.319 -2.519 20 0 CAADHN COC(=O)C1(NC(=O)[C@@H](N)Cc2nn[n-]n2)CC[NH2+]CC1 ZINC001219998772 780288413 /nfs/dbraw/zinc/28/84/13/780288413.db2.gz BHCOROVASGSGKT-ZETCQYMHSA-N 0 3 297.319 -2.519 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cncnc1 ZINC001220007247 780288918 /nfs/dbraw/zinc/28/89/18/780288918.db2.gz LBXGDRUMNXKCOE-CBAPKCEASA-N 0 3 294.315 -2.200 20 0 CAADHN CN1C[C@H](NC(=O)[C@H]2COC3(CNC3)CN2)CCC1=O ZINC001220006726 780289020 /nfs/dbraw/zinc/28/90/20/780289020.db2.gz BEKXEUSCGMBJFN-NXEZZACHSA-N 0 3 282.344 -1.946 20 0 CAADHN CN1C[C@@H](NC(=O)[C@@H](N)CC[S@](C)=O)CCC1=O ZINC001220006972 780289036 /nfs/dbraw/zinc/28/90/36/780289036.db2.gz GTLYMLQEVIZFRF-ZMFHDSSTSA-N 0 3 275.374 -1.181 20 0 CAADHN N=c1cc(C[NH3+])ncn1C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220020327 780290981 /nfs/dbraw/zinc/29/09/81/780290981.db2.gz FFHZFOIGUFXHCL-LURJTMIESA-N 0 3 263.265 -2.455 20 0 CAADHN N=c1cc(C[NH3+])ncn1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220020327 780290988 /nfs/dbraw/zinc/29/09/88/780290988.db2.gz FFHZFOIGUFXHCL-LURJTMIESA-N 0 3 263.265 -2.455 20 0 CAADHN O=C(NCc1cccnn1)[C@@H]1COC2(CNC2)CN1 ZINC001220018636 780291330 /nfs/dbraw/zinc/29/13/30/780291330.db2.gz LTWHPCNMWBJPLO-JTQLQIEISA-N 0 3 263.301 -1.577 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1CN(C)C1 ZINC001220012948 780291434 /nfs/dbraw/zinc/29/14/34/780291434.db2.gz FAZVSUSDRHPZJW-XPUUQOCRSA-N 0 3 271.321 -2.876 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1CCOC1 ZINC001220020271 780291691 /nfs/dbraw/zinc/29/16/91/780291691.db2.gz COBBJITXMYMHDP-YIZRAAEISA-N 0 3 286.332 -2.154 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220028493 780294113 /nfs/dbraw/zinc/29/41/13/780294113.db2.gz UTXHDGXMDGFCJO-JGVFFNPUSA-N 0 3 265.273 -1.799 20 0 CAADHN O=C(N[C@@H]1CCC(=O)NC1=O)[C@H]1COC2(CNC2)CN1 ZINC001220028320 780294523 /nfs/dbraw/zinc/29/45/23/780294523.db2.gz OLCWMYYHXLSGBK-HTQZYQBOSA-N 0 3 282.300 -2.762 20 0 CAADHN O=C(N[C@@H]1CCC(=O)NC1=O)[C@@H]1COC2(CNC2)CN1 ZINC001220028322 780294620 /nfs/dbraw/zinc/29/46/20/780294620.db2.gz OLCWMYYHXLSGBK-SFYZADRCSA-N 0 3 282.300 -2.762 20 0 CAADHN CC(C)(CNC(=O)[C@@H](N)Cc1c[nH]cn1)C(N)=O ZINC001220032952 780295726 /nfs/dbraw/zinc/29/57/26/780295726.db2.gz FFLHGAUNZNKCAB-QMMMGPOBSA-N 0 3 253.306 -1.093 20 0 CAADHN CC(C)(CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O ZINC001220032952 780295728 /nfs/dbraw/zinc/29/57/28/780295728.db2.gz FFLHGAUNZNKCAB-QMMMGPOBSA-N 0 3 253.306 -1.093 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NCC(C)(C)C(N)=O ZINC001220034171 780295826 /nfs/dbraw/zinc/29/58/26/780295826.db2.gz WCLBTYCBBSFLJW-BWKAKNAASA-N 0 3 263.363 -1.290 20 0 CAADHN CC(C)(CNC(=O)[C@H](N)Cc1c[nH]cn1)C(N)=O ZINC001220032951 780296225 /nfs/dbraw/zinc/29/62/25/780296225.db2.gz FFLHGAUNZNKCAB-MRVPVSSYSA-N 0 3 253.306 -1.093 20 0 CAADHN CC(C)(CNC(=O)[C@H](N)Cc1cnc[nH]1)C(N)=O ZINC001220032951 780296230 /nfs/dbraw/zinc/29/62/30/780296230.db2.gz FFLHGAUNZNKCAB-MRVPVSSYSA-N 0 3 253.306 -1.093 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc[nH]1 ZINC001220034222 780296417 /nfs/dbraw/zinc/29/64/17/780296417.db2.gz XAXOLPXAKQHKPD-CBAPKCEASA-N 0 3 281.316 -1.662 20 0 CAADHN COC(=O)c1ccnc(CNC(=O)[C@@H](N)CN)c1 ZINC001220038111 780296451 /nfs/dbraw/zinc/29/64/51/780296451.db2.gz RCNYHXDSBVBPQD-VIFPVBQESA-N 0 3 252.274 -1.230 20 0 CAADHN COc1ncnc(OC)c1CNC(=O)[C@@H](N)CN ZINC001220045101 780297756 /nfs/dbraw/zinc/29/77/56/780297756.db2.gz LWFWDRSTVLVHFY-ZETCQYMHSA-N 0 3 255.278 -1.604 20 0 CAADHN CCOC(=O)C(C)(C)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220063902 780298397 /nfs/dbraw/zinc/29/83/97/780298397.db2.gz JDFBATFSIPAZTP-SECBINFHSA-N 0 3 285.344 -1.225 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCCc1cc[nH]n1 ZINC001220062201 780299053 /nfs/dbraw/zinc/29/90/53/780299053.db2.gz PZIYYOCXODGZSP-SECBINFHSA-N 0 3 268.321 -1.156 20 0 CAADHN N[C@H](CN1CCC([NH3+])CC1)C(=O)NCc1nnn[n-]1 ZINC001220073585 780299246 /nfs/dbraw/zinc/29/92/46/780299246.db2.gz JCWKZZPLBWEZJE-MRVPVSSYSA-N 0 3 268.325 -2.434 20 0 CAADHN N[C@H](CN1CCC([NH3+])CC1)C(=O)NCc1nn[n-]n1 ZINC001220073585 780299254 /nfs/dbraw/zinc/29/92/54/780299254.db2.gz JCWKZZPLBWEZJE-MRVPVSSYSA-N 0 3 268.325 -2.434 20 0 CAADHN N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1nnn[n-]1 ZINC001220073586 780299810 /nfs/dbraw/zinc/29/98/10/780299810.db2.gz JCWKZZPLBWEZJE-QMMMGPOBSA-N 0 3 268.325 -2.434 20 0 CAADHN N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1nn[n-]n1 ZINC001220073586 780299815 /nfs/dbraw/zinc/29/98/15/780299815.db2.gz JCWKZZPLBWEZJE-QMMMGPOBSA-N 0 3 268.325 -2.434 20 0 CAADHN CCCOCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220101275 780302606 /nfs/dbraw/zinc/30/26/06/780302606.db2.gz GLBMXSWYGALQDT-IUCAKERBSA-N 0 3 288.348 -1.763 20 0 CAADHN O=C(N[C@@H]1CCC[C@@H]1O)[C@@H]1COC2(CNC2)CN1 ZINC001220099623 780303134 /nfs/dbraw/zinc/30/31/34/780303134.db2.gz VBSSLABDUAQKFO-UTLUCORTSA-N 0 3 255.318 -1.654 20 0 CAADHN COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](N)CCC[NH3+] ZINC001220104625 780304820 /nfs/dbraw/zinc/30/48/20/780304820.db2.gz JEJFITKEKYDTBN-SFYZADRCSA-N 0 3 275.305 -1.425 20 0 CAADHN CC[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220113599 780305509 /nfs/dbraw/zinc/30/55/09/780305509.db2.gz YWYGJIFRIKDGPM-CSMHCCOUSA-N 0 3 258.322 -1.392 20 0 CAADHN NC(C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C(F)(F)F ZINC001220117253 780305635 /nfs/dbraw/zinc/30/56/35/780305635.db2.gz FCBVGHSIEPBBJJ-OVHBTUCOSA-N 0 3 272.223 -1.905 20 0 CAADHN CCC(CO)(CO)NC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220109766 780305968 /nfs/dbraw/zinc/30/59/68/780305968.db2.gz JADAVCAHZPQWSP-WNWIJWBNSA-N 0 3 266.363 -1.668 20 0 CAADHN NC(C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)C(F)(F)F ZINC001220117252 780306060 /nfs/dbraw/zinc/30/60/60/780306060.db2.gz FCBVGHSIEPBBJJ-BNWJMWRWSA-N 0 3 272.223 -1.905 20 0 CAADHN CCC(CO)(CO)NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220110059 780306088 /nfs/dbraw/zinc/30/60/88/780306088.db2.gz QAQKOLQXMCCUCD-VIFPVBQESA-N 0 3 256.306 -1.471 20 0 CAADHN CCC(CO)(CO)NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001220110059 780306095 /nfs/dbraw/zinc/30/60/95/780306095.db2.gz QAQKOLQXMCCUCD-VIFPVBQESA-N 0 3 256.306 -1.471 20 0 CAADHN CCC(CO)(CO)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220109798 780306160 /nfs/dbraw/zinc/30/61/60/780306160.db2.gz KSSYDIWHQUZMFG-SECBINFHSA-N 0 3 273.333 -2.434 20 0 CAADHN O=C(N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](F)CCN1 ZINC001220117173 780306448 /nfs/dbraw/zinc/30/64/48/780306448.db2.gz BKXANGFHFLFOMT-JXVKQMKBSA-N 0 3 276.308 -1.705 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001220118245 780306469 /nfs/dbraw/zinc/30/64/69/780306469.db2.gz TWWQPSQOXZCBFG-ITLGMPIFSA-N 0 3 294.373 -2.699 20 0 CAADHN CCC(CO)(CO)NC(=O)[C@@H](N)CC[S@](C)=O ZINC001220109765 780306584 /nfs/dbraw/zinc/30/65/84/780306584.db2.gz JADAVCAHZPQWSP-QPFGOUBPSA-N 0 3 266.363 -1.668 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001220130348 780306928 /nfs/dbraw/zinc/30/69/28/780306928.db2.gz VQRYQRCFPOCDEB-MXWKQRLJSA-N 0 3 285.344 -1.680 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220136594 780307573 /nfs/dbraw/zinc/30/75/73/780307573.db2.gz ZMHWRGLLXAFZHA-MXWKQRLJSA-N 0 3 287.360 -1.304 20 0 CAADHN Cc1cnc(=O)[nH]c1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220122235 780307982 /nfs/dbraw/zinc/30/79/82/780307982.db2.gz FWPSFGSUJZTTSF-QMMMGPOBSA-N 0 3 279.300 -1.240 20 0 CAADHN N[C@@H](CC1CCC1)C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001220118563 780307998 /nfs/dbraw/zinc/30/79/98/780307998.db2.gz YISRCINTAIHDME-ROHXPCBUSA-N 0 3 272.345 -1.277 20 0 CAADHN CCOCCCN1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001220130062 780308134 /nfs/dbraw/zinc/30/81/34/780308134.db2.gz LJMTZFHQWCNHDM-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN CCOC(=O)C1=C(NC(=O)[C@@H](N)CN)[C@@H](C)OC1 ZINC001220139824 780309065 /nfs/dbraw/zinc/30/90/65/780309065.db2.gz XDMRFIFTCOPZKW-SVRRBLITSA-N 0 3 257.290 -1.376 20 0 CAADHN CCOC(=O)C1=C(NC(=O)[C@@H](N)CN)[C@H](C)OC1 ZINC001220139828 780309535 /nfs/dbraw/zinc/30/95/35/780309535.db2.gz XDMRFIFTCOPZKW-XPUUQOCRSA-N 0 3 257.290 -1.376 20 0 CAADHN CO[C@@H]1COCC[C@H]1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220141090 780309628 /nfs/dbraw/zinc/30/96/28/780309628.db2.gz FWKZOQDPHUCJBK-OUAUKWLOSA-N 0 3 285.344 -1.763 20 0 CAADHN CS(=O)(=O)N1CC(NC(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001220145592 780310553 /nfs/dbraw/zinc/31/05/53/780310553.db2.gz HUEQEXKOOWHQAX-VIFPVBQESA-N 0 3 287.345 -1.961 20 0 CAADHN CS(=O)(=O)N1CC(NC(=O)[C@@H](N)Cc2cnc[nH]2)C1 ZINC001220145592 780310557 /nfs/dbraw/zinc/31/05/57/780310557.db2.gz HUEQEXKOOWHQAX-VIFPVBQESA-N 0 3 287.345 -1.961 20 0 CAADHN CS(=O)(=O)N1CC(NC(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001220145591 780310608 /nfs/dbraw/zinc/31/06/08/780310608.db2.gz HUEQEXKOOWHQAX-SECBINFHSA-N 0 3 287.345 -1.961 20 0 CAADHN CS(=O)(=O)N1CC(NC(=O)[C@H](N)Cc2cnc[nH]2)C1 ZINC001220145591 780310614 /nfs/dbraw/zinc/31/06/14/780310614.db2.gz HUEQEXKOOWHQAX-SECBINFHSA-N 0 3 287.345 -1.961 20 0 CAADHN O=C(NCc1cn[nH]c1)[C@H]1COC2(CNC2)CN1 ZINC001220147926 780312120 /nfs/dbraw/zinc/31/21/20/780312120.db2.gz LBYXAGPAVCMPME-SECBINFHSA-N 0 3 251.290 -1.644 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC001220150205 780312213 /nfs/dbraw/zinc/31/22/13/780312213.db2.gz UMLFDNOAJNBCMG-GLTNYXDESA-N 0 3 286.332 -2.277 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NC1CC(CO)(CO)C1 ZINC001220151871 780312270 /nfs/dbraw/zinc/31/22/70/780312270.db2.gz KTPYDURNQOEUQC-JTQLQIEISA-N 0 3 268.317 -1.471 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC1CC(CO)(CO)C1 ZINC001220151871 780312275 /nfs/dbraw/zinc/31/22/75/780312275.db2.gz KTPYDURNQOEUQC-JTQLQIEISA-N 0 3 268.317 -1.471 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[C@H](F)C1 ZINC001220148230 780312663 /nfs/dbraw/zinc/31/26/63/780312663.db2.gz RAWNJQXCYLKMDV-JBDRJPRFSA-N 0 3 288.323 -1.442 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NC1CC(CO)(CO)C1 ZINC001220151872 780312817 /nfs/dbraw/zinc/31/28/17/780312817.db2.gz KTPYDURNQOEUQC-SNVBAGLBSA-N 0 3 268.317 -1.471 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC1CC(CO)(CO)C1 ZINC001220151872 780312826 /nfs/dbraw/zinc/31/28/26/780312826.db2.gz KTPYDURNQOEUQC-SNVBAGLBSA-N 0 3 268.317 -1.471 20 0 CAADHN O=C(NCc1cc[nH]c(=O)c1)[C@H]1COC2(CNC2)CN1 ZINC001220148289 780312875 /nfs/dbraw/zinc/31/28/75/780312875.db2.gz UWDJEFNCNULPHG-SNVBAGLBSA-N 0 3 278.312 -1.266 20 0 CAADHN N=C(NC(=O)[C@H]1COC2(CNC2)CN1)c1ccc(F)cn1 ZINC001220170287 780313621 /nfs/dbraw/zinc/31/36/21/780313621.db2.gz GNGUOXBCHQSYBH-SNVBAGLBSA-N 0 3 293.302 -1.007 20 0 CAADHN N=C(NC(=O)[C@H]1COC2(CNC2)CN1)c1nccs1 ZINC001220153920 780313631 /nfs/dbraw/zinc/31/36/31/780313631.db2.gz DISUGBQEXONDFH-SSDOTTSWSA-N 0 3 281.341 -1.085 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1COCCC12OCCO2 ZINC001220170362 780313787 /nfs/dbraw/zinc/31/37/87/780313787.db2.gz ISRBNVUJJQNBDS-QWRGUYRKSA-N 0 3 296.327 -1.072 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1COCCC12OCCO2 ZINC001220170362 780313793 /nfs/dbraw/zinc/31/37/93/780313793.db2.gz ISRBNVUJJQNBDS-QWRGUYRKSA-N 0 3 296.327 -1.072 20 0 CAADHN CC(C)N1CC(NC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001220159390 780314083 /nfs/dbraw/zinc/31/40/83/780314083.db2.gz OESQYWQAUCBXHT-LLVKDONJSA-N 0 3 268.361 -1.474 20 0 CAADHN CC(C)N1CC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C1 ZINC001220159477 780314484 /nfs/dbraw/zinc/31/44/84/780314484.db2.gz PGFZFXGOZIICNN-WPRPVWTQSA-N 0 3 299.375 -2.097 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1COCCC12OCCO2 ZINC001220170361 780314707 /nfs/dbraw/zinc/31/47/07/780314707.db2.gz ISRBNVUJJQNBDS-MNOVXSKESA-N 0 3 296.327 -1.072 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1COCCC12OCCO2 ZINC001220170361 780314710 /nfs/dbraw/zinc/31/47/10/780314710.db2.gz ISRBNVUJJQNBDS-MNOVXSKESA-N 0 3 296.327 -1.072 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NC1(CCO)COC1 ZINC001220174098 780315474 /nfs/dbraw/zinc/31/54/74/780315474.db2.gz VSVTTZQWNYJGNK-VIFPVBQESA-N 0 3 254.290 -1.453 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC1(CCO)COC1 ZINC001220174098 780315477 /nfs/dbraw/zinc/31/54/77/780315477.db2.gz VSVTTZQWNYJGNK-VIFPVBQESA-N 0 3 254.290 -1.453 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC1(CCO)COC1 ZINC001220173187 780315766 /nfs/dbraw/zinc/31/57/66/780315766.db2.gz KIDHDVXEKYPGFJ-WNWIJWBNSA-N 0 3 264.347 -1.650 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC1(CCO)COC1 ZINC001220174293 780315809 /nfs/dbraw/zinc/31/58/09/780315809.db2.gz WOPFWNIUOXIOFY-MRVPVSSYSA-N 0 3 274.321 -1.970 20 0 CAADHN O=C(NC1(CCO)COC1)[C@@H]1COC2(CNC2)CN1 ZINC001220173292 780316113 /nfs/dbraw/zinc/31/61/13/780316113.db2.gz MJVSLRUZZGKGDU-VIFPVBQESA-N 0 3 271.317 -2.416 20 0 CAADHN Cc1ncc(CNC(=O)[C@@H]2COC3(CNC3)CN2)cn1 ZINC001220177993 780317129 /nfs/dbraw/zinc/31/71/29/780317129.db2.gz XGTYMPCZDZRXJL-NSHDSACASA-N 0 3 277.328 -1.268 20 0 CAADHN Cc1ncc(CNC(=O)[C@H]2COC3(CNC3)CN2)cn1 ZINC001220177992 780317225 /nfs/dbraw/zinc/31/72/25/780317225.db2.gz XGTYMPCZDZRXJL-LLVKDONJSA-N 0 3 277.328 -1.268 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1COCC[C@@H]1O ZINC001220181136 780317277 /nfs/dbraw/zinc/31/72/77/780317277.db2.gz BGYHVCOGYCFPCB-GMOBBJLQSA-N 0 3 287.360 -1.258 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181429 780317675 /nfs/dbraw/zinc/31/76/75/780317675.db2.gz OLMRXGKMNGMBML-UTLUCORTSA-N 0 3 254.290 -1.455 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181429 780317668 /nfs/dbraw/zinc/31/76/68/780317668.db2.gz OLMRXGKMNGMBML-UTLUCORTSA-N 0 3 254.290 -1.455 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202448 780318783 /nfs/dbraw/zinc/31/87/83/780318783.db2.gz CGGUGBVZZFRVNF-SNPJHEAGSA-N 0 3 261.347 -1.665 20 0 CAADHN C[C@H](NC(=O)[C@H]1COC2(CNC2)CN1)c1cncnc1 ZINC001220183806 780318995 /nfs/dbraw/zinc/31/89/95/780318995.db2.gz ZILNLCNZZREMGP-GXSJLCMTSA-N 0 3 277.328 -1.016 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202399 780319180 /nfs/dbraw/zinc/31/91/80/780319180.db2.gz CGGUGBVZZFRVNF-QTDQWHRXSA-N 0 3 261.347 -1.665 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202296 780319278 /nfs/dbraw/zinc/31/92/78/780319278.db2.gz ANVNUVRWAYAPCR-JGVFFNPUSA-N 0 3 271.321 -1.986 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]1F ZINC001220212884 780319818 /nfs/dbraw/zinc/31/98/18/780319818.db2.gz ZXKVMTXGMLZOKK-WNJXEPBRSA-N 0 3 260.269 -2.080 20 0 CAADHN O=C(NC[C@@H]1CNC(=O)C1)[C@@H]1COC2(CNC2)CN1 ZINC001220202890 780320197 /nfs/dbraw/zinc/32/01/97/780320197.db2.gz OGMGPKCQBVJDAW-IUCAKERBSA-N 0 3 268.317 -2.431 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202768 780320223 /nfs/dbraw/zinc/32/02/23/780320223.db2.gz JZDWIPMCMPFZBP-IONNQARKSA-N 0 3 251.290 -1.468 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202768 780320226 /nfs/dbraw/zinc/32/02/26/780320226.db2.gz JZDWIPMCMPFZBP-IONNQARKSA-N 0 3 251.290 -1.468 20 0 CAADHN O=C(NC[C@H]1CNC(=O)C1)[C@@H]1COC2(CNC2)CN1 ZINC001220202888 780320537 /nfs/dbraw/zinc/32/05/37/780320537.db2.gz OGMGPKCQBVJDAW-BDAKNGLRSA-N 0 3 268.317 -2.431 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC[C@@H]2CNC(=O)C2)C1=O ZINC001220202900 780320642 /nfs/dbraw/zinc/32/06/42/780320642.db2.gz OOXFXBMOUBCBFV-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001220207741 780320702 /nfs/dbraw/zinc/32/07/02/780320702.db2.gz RSHPZPFDKSPUGL-UTUOFQBUSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202887 780320800 /nfs/dbraw/zinc/32/08/00/780320800.db2.gz OFCCZKSOHGQCBM-RNJXMRFFSA-N 0 3 299.331 -3.054 20 0 CAADHN CC(C)(C)[C@H](CO)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220217383 780321623 /nfs/dbraw/zinc/32/16/23/780321623.db2.gz YFWLBELWJVBFCL-UWVGGRQHSA-N 0 3 271.361 -1.160 20 0 CAADHN CCOC(=O)CC[C@H](NC(=O)[C@@H](N)CN)C(=O)OCC ZINC001220230767 780321857 /nfs/dbraw/zinc/32/18/57/780321857.db2.gz OZIVYJQGUSPKSP-IUCAKERBSA-N 0 3 289.332 -1.336 20 0 CAADHN COCCCN1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001220225769 780322115 /nfs/dbraw/zinc/32/21/15/780322115.db2.gz UGOLAMIHFXWQCA-MNOVXSKESA-N 0 3 296.327 -1.419 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCCc1cnccn1 ZINC001220243270 780322990 /nfs/dbraw/zinc/32/29/90/780322990.db2.gz QVURZLDSDJSYNO-SNVBAGLBSA-N 0 3 280.332 -1.089 20 0 CAADHN N[C@@H](CSCC[NH3+])C(=O)NCS(=O)(=O)[O-] ZINC001220241296 780323159 /nfs/dbraw/zinc/32/31/59/780323159.db2.gz WSSXRODUUUAPBK-YFKPBYRVSA-N 0 3 257.337 -2.033 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC001220245534 780324767 /nfs/dbraw/zinc/32/47/67/780324767.db2.gz RTXFMVRQBNABNI-ONGXEEELSA-N 0 3 279.344 -1.116 20 0 CAADHN CN1C[C@@H](CNC(=O)[C@@H](N)Cc2c[nH]cn2)CC1=O ZINC001220245075 780325369 /nfs/dbraw/zinc/32/53/69/780325369.db2.gz FKTNHRIHEDMQFP-SCZZXKLOSA-N 0 3 265.317 -1.126 20 0 CAADHN CN1C[C@@H](CNC(=O)[C@@H](N)Cc2cnc[nH]2)CC1=O ZINC001220245075 780325376 /nfs/dbraw/zinc/32/53/76/780325376.db2.gz FKTNHRIHEDMQFP-SCZZXKLOSA-N 0 3 265.317 -1.126 20 0 CAADHN CN1C[C@@H](CNC(=O)[C@@H](N)CC[S@@](C)=O)CC1=O ZINC001220245273 780325475 /nfs/dbraw/zinc/32/54/75/780325475.db2.gz MHFGUBRPLFJVQT-SNFQMMDSSA-N 0 3 275.374 -1.323 20 0 CAADHN CN1C[C@H](CNC(=O)[C@H](N)Cc2c[nH]cn2)CC1=O ZINC001220245076 780325548 /nfs/dbraw/zinc/32/55/48/780325548.db2.gz FKTNHRIHEDMQFP-WCBMZHEXSA-N 0 3 265.317 -1.126 20 0 CAADHN CN1C[C@H](CNC(=O)[C@H](N)Cc2cnc[nH]2)CC1=O ZINC001220245076 780325549 /nfs/dbraw/zinc/32/55/49/780325549.db2.gz FKTNHRIHEDMQFP-WCBMZHEXSA-N 0 3 265.317 -1.126 20 0 CAADHN CN1C[C@H](CNC(=O)[C@@H]2COC3(CNC3)CN2)CC1=O ZINC001220245119 780325741 /nfs/dbraw/zinc/32/57/41/780325741.db2.gz HBBNPXRIIVZCTH-UWVGGRQHSA-N 0 3 282.344 -2.089 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249528 780326999 /nfs/dbraw/zinc/32/69/99/780326999.db2.gz NGFBHOWTCVMKEM-ZJUUUORDSA-N 0 3 293.389 -1.375 20 0 CAADHN CC(C)C[C@H](NC(=O)CN)C(=O)NCc1nc[nH]n1 ZINC001220249864 780327081 /nfs/dbraw/zinc/32/70/81/780327081.db2.gz DWWVWRHBFVEZJN-QMMMGPOBSA-N 0 3 268.321 -1.090 20 0 CAADHN O=C(NCc1n[nH]c(=O)[n-]1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220252226 780327113 /nfs/dbraw/zinc/32/71/13/780327113.db2.gz RTLIYXXSIYDKLE-RDDDGLTNSA-N 0 3 266.305 -1.674 20 0 CAADHN O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@@H]1COC2(CNC2)CN1 ZINC001220261354 780328578 /nfs/dbraw/zinc/32/85/78/780328578.db2.gz XKJXKYAYDXJTQQ-PWSUYJOCSA-N 0 3 291.355 -1.286 20 0 CAADHN NC[C@H](N)C(=O)NCCC(=O)Nc1nccs1 ZINC001220270848 780328603 /nfs/dbraw/zinc/32/86/03/780328603.db2.gz IZJZUFRUXVBHNZ-LURJTMIESA-N 0 3 257.319 -1.126 20 0 CAADHN O=C(NCC1OCCO1)[C@H]1COC2(CNC2)CN1 ZINC001220288882 780331161 /nfs/dbraw/zinc/33/11/61/780331161.db2.gz LRZRCVVYFGGJBT-MRVPVSSYSA-N 0 3 257.290 -2.194 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NCC2OCCO2)C1=O ZINC001220289149 780331950 /nfs/dbraw/zinc/33/19/50/780331950.db2.gz UHQFZZYBZKWXCI-VIFPVBQESA-N 0 3 271.317 -1.185 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316054 780331967 /nfs/dbraw/zinc/33/19/67/780331967.db2.gz LJDIDICJCOKOCJ-QQJLPTOTSA-N 0 3 277.346 -2.287 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NCC1OCCO1 ZINC001220288892 780331980 /nfs/dbraw/zinc/33/19/80/780331980.db2.gz MBBFGMXRVWGTAS-VIFPVBQESA-N 0 3 254.290 -1.221 20 0 CAADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CCO)C[C@@H]1O)N(C)C ZINC001220290330 780332283 /nfs/dbraw/zinc/33/22/83/780332283.db2.gz WCMJSHUCFWXSCL-GRYCIOLGSA-N 0 3 273.377 -1.274 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2COC(=O)C2)COC1(C)C ZINC001220296240 780332389 /nfs/dbraw/zinc/33/23/89/780332389.db2.gz KEICGGJBIUSVPI-YIZRAAEISA-N 0 3 299.327 -1.271 20 0 CAADHN NC(C(=O)NC[C@@H]1CNC(=O)CO1)C(F)(F)F ZINC001220315989 780334928 /nfs/dbraw/zinc/33/49/28/780334928.db2.gz LFGNVYXAGKFCHV-UJURSFKZSA-N 0 3 255.196 -1.493 20 0 CAADHN O=C(NC[C@@H]1CNC(=O)CO1)[C@H]1COC2(CNC2)CN1 ZINC001220315532 780335044 /nfs/dbraw/zinc/33/50/44/780335044.db2.gz FAZJXEAZMPXZNV-DTWKUNHWSA-N 0 3 284.316 -3.052 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316455 780335120 /nfs/dbraw/zinc/33/51/20/780335120.db2.gz PLTQWQUSKUTPFC-DTWKUNHWSA-N 0 3 267.289 -2.089 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316455 780335126 /nfs/dbraw/zinc/33/51/26/780335126.db2.gz PLTQWQUSKUTPFC-DTWKUNHWSA-N 0 3 267.289 -2.089 20 0 CAADHN O=C(NC[C@H]1CNC(=O)CO1)[C@@H]1C[C@@H](F)CCN1 ZINC001220315905 780335150 /nfs/dbraw/zinc/33/51/50/780335150.db2.gz KDBAOOQBYPKNNH-YIZRAAEISA-N 0 3 259.281 -1.292 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316071 780335297 /nfs/dbraw/zinc/33/52/97/780335297.db2.gz LWRYNORIZZDAOL-PTRXPTGYSA-N 0 3 295.347 -1.903 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316071 780335303 /nfs/dbraw/zinc/33/53/03/780335303.db2.gz LWRYNORIZZDAOL-PTRXPTGYSA-N 0 3 295.347 -1.903 20 0 CAADHN NC(C(=O)NC[C@H]1CNC(=O)CO1)C(F)(F)F ZINC001220315987 780335359 /nfs/dbraw/zinc/33/53/59/780335359.db2.gz LFGNVYXAGKFCHV-INEUFUBQSA-N 0 3 255.196 -1.493 20 0 CAADHN O=C(NC[C@H]1CNC(=O)CO1)[C@@H]1COC2(CNC2)CN1 ZINC001220315531 780335530 /nfs/dbraw/zinc/33/55/30/780335530.db2.gz FAZJXEAZMPXZNV-BDAKNGLRSA-N 0 3 284.316 -3.052 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316456 780335618 /nfs/dbraw/zinc/33/56/18/780335618.db2.gz PLTQWQUSKUTPFC-IUCAKERBSA-N 0 3 267.289 -2.089 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316456 780335620 /nfs/dbraw/zinc/33/56/20/780335620.db2.gz PLTQWQUSKUTPFC-IUCAKERBSA-N 0 3 267.289 -2.089 20 0 CAADHN NC(=O)[C@@H](CO)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220328735 780337537 /nfs/dbraw/zinc/33/75/37/780337537.db2.gz CMINZDZOZMMJBD-RQJHMYQMSA-N 0 3 258.278 -3.721 20 0 CAADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O ZINC001220329263 780337658 /nfs/dbraw/zinc/33/76/58/780337658.db2.gz KLRDCSBTSPVQQQ-CIUDSAMLSA-N 0 3 288.348 -2.173 20 0 CAADHN NC(=O)[C@@H](CO)NC(=O)CN1CCCC[C@H](N)C1=O ZINC001220328984 780337918 /nfs/dbraw/zinc/33/79/18/780337918.db2.gz GLKBFQHUWZZZOX-JGVFFNPUSA-N 0 3 272.305 -2.711 20 0 CAADHN CN[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)OC(C)(C)C ZINC001220329106 780338095 /nfs/dbraw/zinc/33/80/95/780338095.db2.gz GPTZSABZIJWYAG-VGMNWLOBSA-N 0 3 275.349 -1.260 20 0 CAADHN Cc1cc(NC(=O)[C@@H]2COC3(CNC3)CN2)n(N)c(=O)c1 ZINC001220323237 780338124 /nfs/dbraw/zinc/33/81/24/780338124.db2.gz DQQBUXXMHAMBNS-VIFPVBQESA-N 0 3 293.327 -1.861 20 0 CAADHN NC(=O)[C@@H](CO)NC(=O)[C@@H](N)C1CCC(O)CC1 ZINC001220329103 780338411 /nfs/dbraw/zinc/33/84/11/780338411.db2.gz GMGXGOWXDYIVFD-YNTFGVKOSA-N 0 3 259.306 -2.173 20 0 CAADHN CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NCc1c[nH]nn1 ZINC001220328869 780338441 /nfs/dbraw/zinc/33/84/41/780338441.db2.gz DEZOPRXBGSRWPH-VIFPVBQESA-N 0 3 298.347 -1.321 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H](CO)C(N)=O ZINC001220329772 780339262 /nfs/dbraw/zinc/33/92/62/780339262.db2.gz ZVTSLCFRGPXHLG-OOZYFLPDSA-N 0 3 274.321 -2.562 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC1COC1 ZINC001220341268 780339352 /nfs/dbraw/zinc/33/93/52/780339352.db2.gz VMQASDUPQIRSLD-CBAPKCEASA-N 0 3 286.332 -2.154 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](CO)C(N)=O ZINC001220329773 780339649 /nfs/dbraw/zinc/33/96/49/780339649.db2.gz ZVTSLCFRGPXHLG-ZKWXMUAHSA-N 0 3 274.321 -2.562 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1COC2(CNC2)CN1)c1cnccn1 ZINC001220368621 780341512 /nfs/dbraw/zinc/34/15/12/780341512.db2.gz JEAXXGVTHJYGDT-KOLCDFICSA-N 0 3 277.328 -1.016 20 0 CAADHN C[C@H](NC(=O)[C@H]1COC2(CNC2)CN1)c1cnccn1 ZINC001220368620 780341623 /nfs/dbraw/zinc/34/16/23/780341623.db2.gz JEAXXGVTHJYGDT-GXSJLCMTSA-N 0 3 277.328 -1.016 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220381596 780342429 /nfs/dbraw/zinc/34/24/29/780342429.db2.gz LQROYOLCQLJCLJ-QWRGUYRKSA-N 0 3 284.360 -2.236 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CN(CCO)C[C@@H]1O)N(C)C ZINC001220380166 780342578 /nfs/dbraw/zinc/34/25/78/780342578.db2.gz SFJIGMQKMIWGTQ-VWYCJHECSA-N 0 3 259.350 -1.520 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)[C@H](N)CCCNC(N)=O ZINC001220380970 780342615 /nfs/dbraw/zinc/34/26/15/780342615.db2.gz FAGSZXNNXGMOJG-VHSXEESVSA-N 0 3 287.364 -1.791 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O)N(C)C ZINC001220380249 780342780 /nfs/dbraw/zinc/34/27/80/780342780.db2.gz VSYYVWIZEYIKQQ-WOPDTQHZSA-N 0 3 273.377 -1.130 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC1(O)CCC1 ZINC001220384445 780343091 /nfs/dbraw/zinc/34/30/91/780343091.db2.gz ULOJWLAOYBAEQQ-YUMQZZPRSA-N 0 3 286.332 -2.275 20 0 CAADHN CNC(=O)[C@H](C)NC(=O)CN1CCCC[C@H](N)C1=O ZINC001220418608 780346224 /nfs/dbraw/zinc/34/62/24/780346224.db2.gz OBEIQNGIOPUHIQ-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[Si](C)(C)C ZINC001220418431 780346690 /nfs/dbraw/zinc/34/66/90/780346690.db2.gz KWKKZXNHMJQWDA-YUMQZZPRSA-N 0 3 288.424 -1.313 20 0 CAADHN Cn1c(=O)cc(NC(=O)[C@H](N)Cc2c[nH]cn2)[nH]c1=O ZINC001220422615 780346822 /nfs/dbraw/zinc/34/68/22/780346822.db2.gz HCDXPESTFIKQES-SSDOTTSWSA-N 0 3 278.272 -1.283 20 0 CAADHN Cn1c(=O)cc(NC(=O)[C@H](N)Cc2cnc[nH]2)[nH]c1=O ZINC001220422615 780346826 /nfs/dbraw/zinc/34/68/26/780346826.db2.gz HCDXPESTFIKQES-SSDOTTSWSA-N 0 3 278.272 -1.283 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1COCCN1 ZINC001220429408 780347727 /nfs/dbraw/zinc/34/77/27/780347727.db2.gz RBMICCSTNZRHME-GSRNSYJJSA-N 0 3 263.363 -1.813 20 0 CAADHN Cn1c(=O)cc(NC(=O)[C@@H]2COC3(CNC3)CN2)[nH]c1=O ZINC001220424942 780348041 /nfs/dbraw/zinc/34/80/41/780348041.db2.gz ZKFVXYQBFUMTAS-ZETCQYMHSA-N 0 3 295.299 -2.245 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)NC[C@H]1COCCN1 ZINC001220431838 780348427 /nfs/dbraw/zinc/34/84/27/780348427.db2.gz REHOUZZBWNFGEL-UWVGGRQHSA-N 0 3 270.333 -1.959 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC(=O)CCO ZINC001220448940 780349240 /nfs/dbraw/zinc/34/92/40/780349240.db2.gz CJTAYXQEBQBAIE-KWQFWETISA-N 0 3 273.333 -1.456 20 0 CAADHN O=C(N[C@@H](CO)C(F)(F)F)[C@@H]1COC2(CNC2)CN1 ZINC001220447756 780349421 /nfs/dbraw/zinc/34/94/21/780349421.db2.gz OZWLJGZIIHEONP-BQBZGAKWSA-N 0 3 283.250 -1.644 20 0 CAADHN O=C(N[C@H](CO)C(F)(F)F)[C@@H]1COC2(CNC2)CN1 ZINC001220447757 780349483 /nfs/dbraw/zinc/34/94/83/780349483.db2.gz OZWLJGZIIHEONP-NKWVEPMBSA-N 0 3 283.250 -1.644 20 0 CAADHN O=C(N[C@H](CO)C(F)(F)F)[C@H]1COC2(CNC2)CN1 ZINC001220447758 780349666 /nfs/dbraw/zinc/34/96/66/780349666.db2.gz OZWLJGZIIHEONP-RNFRBKRXSA-N 0 3 283.250 -1.644 20 0 CAADHN CSc1nc(NC(=O)[C@@H](N)CN)cc(=O)n1C ZINC001220435211 780349964 /nfs/dbraw/zinc/34/99/64/780349964.db2.gz CSNRXUMRKJYCIW-YFKPBYRVSA-N 0 3 257.319 -1.273 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447876 780349973 /nfs/dbraw/zinc/34/99/73/780349973.db2.gz QNMBENIAANINLX-RITPCOANSA-N 0 3 286.254 -1.198 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1C[C@H](O)C[C@@H]1CO ZINC001220481814 780352865 /nfs/dbraw/zinc/35/28/65/780352865.db2.gz SACADUDVAVAZIG-OPRDCNLKSA-N 0 3 271.317 -2.729 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220482066 780353035 /nfs/dbraw/zinc/35/30/35/780353035.db2.gz ZOCBNLZCNBNRHC-RNKCWLNFSA-N 0 3 264.347 -1.964 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481526 780353126 /nfs/dbraw/zinc/35/31/26/780353126.db2.gz JSTAXDAMRJIBIM-XNDJQWLSSA-N 0 3 287.360 -1.570 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220492637 780354192 /nfs/dbraw/zinc/35/41/92/780354192.db2.gz OVSPFCPPJQPXDB-IUCAKERBSA-N 0 3 253.306 -1.371 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220492007 780354951 /nfs/dbraw/zinc/35/49/51/780354951.db2.gz FWKIAFZPUVSJQI-VXNVDRBHSA-N 0 3 254.290 -1.195 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494060 780355591 /nfs/dbraw/zinc/35/55/91/780355591.db2.gz COEJFFIUKRBSRX-ZETCQYMHSA-N 0 3 253.310 -1.543 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NCC1([NH3+])CCCC1 ZINC001220494060 780355600 /nfs/dbraw/zinc/35/56/00/780355600.db2.gz COEJFFIUKRBSRX-ZETCQYMHSA-N 0 3 253.310 -1.543 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220493394 780355977 /nfs/dbraw/zinc/35/59/77/780355977.db2.gz ZPVPZJMYAZNWKN-LLVKDONJSA-N 0 3 253.306 -1.227 20 0 CAADHN COC(C)(CNC(=O)[C@H](N)CCCNC(N)=O)OC ZINC001220509410 780356755 /nfs/dbraw/zinc/35/67/55/780356755.db2.gz XIDGBQBHXHUGGA-MRVPVSSYSA-N 0 3 276.337 -1.113 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001220508166 780356866 /nfs/dbraw/zinc/35/68/66/780356866.db2.gz DLEGNIIKDQFIOC-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CN(CC[NH3+])CCNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220515601 780357970 /nfs/dbraw/zinc/35/79/70/780357970.db2.gz HGJTXNZSBZCEJG-ZETCQYMHSA-N 0 3 256.314 -2.924 20 0 CAADHN CN(CC[NH3+])CCNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220515601 780357979 /nfs/dbraw/zinc/35/79/79/780357979.db2.gz HGJTXNZSBZCEJG-ZETCQYMHSA-N 0 3 256.314 -2.924 20 0 CAADHN CCOC(=O)C1=C(NC(=O)C[C@H](N)C(=O)OC)CCNC1 ZINC001220521367 780359252 /nfs/dbraw/zinc/35/92/52/780359252.db2.gz DYXXTXVKCZGRGO-VIFPVBQESA-N 0 3 299.327 -1.197 20 0 CAADHN COCCCN1C[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001220528561 780361635 /nfs/dbraw/zinc/36/16/35/780361635.db2.gz SWKASCRSSJGQMY-TUAOUCFPSA-N 0 3 299.371 -1.147 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NCCN1CC2(COC2)C1 ZINC001220571564 780363333 /nfs/dbraw/zinc/36/33/33/780363333.db2.gz UOKFMEULGNZFGP-OVWNDWIMSA-N 0 3 289.401 -1.469 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NCCN1CC2(COC2)C1 ZINC001220571385 780364383 /nfs/dbraw/zinc/36/43/83/780364383.db2.gz QARGLGJNUMUYNF-NSHDSACASA-N 0 3 279.344 -1.272 20 0 CAADHN CC/C=C/NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220560741 780364407 /nfs/dbraw/zinc/36/44/07/780364407.db2.gz PNQBRZYMZVBGTG-VEVSIANRSA-N 0 3 256.306 -1.266 20 0 CAADHN CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)[C@@H](N)CN ZINC001220564893 780364723 /nfs/dbraw/zinc/36/47/23/780364723.db2.gz HGICMDOKTXZMFM-WDEREUQCSA-N 0 3 280.328 -1.042 20 0 CAADHN CCOCCN1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001220574569 780365027 /nfs/dbraw/zinc/36/50/27/780365027.db2.gz FGTNMIJWTBDPEW-BDAKNGLRSA-N 0 3 269.305 -1.384 20 0 CAADHN CCOCCN1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220574569 780365037 /nfs/dbraw/zinc/36/50/37/780365037.db2.gz FGTNMIJWTBDPEW-BDAKNGLRSA-N 0 3 269.305 -1.384 20 0 CAADHN COCCCN1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001220573083 780366180 /nfs/dbraw/zinc/36/61/80/780366180.db2.gz PIEMBADRZZNACM-BDAKNGLRSA-N 0 3 269.305 -1.384 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)[C@@H](N)CC1CCC1 ZINC001220575469 780366516 /nfs/dbraw/zinc/36/65/16/780366516.db2.gz IWBWYSULPOKLGE-VIFPVBQESA-N 0 3 271.317 -1.091 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001220573112 780366789 /nfs/dbraw/zinc/36/67/89/780366789.db2.gz QEBVLQAKOGYTNM-YIZRAAEISA-N 0 3 285.304 -2.413 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001220573112 780366800 /nfs/dbraw/zinc/36/68/00/780366800.db2.gz QEBVLQAKOGYTNM-YIZRAAEISA-N 0 3 285.304 -2.413 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220573112 780366809 /nfs/dbraw/zinc/36/68/09/780366809.db2.gz QEBVLQAKOGYTNM-YIZRAAEISA-N 0 3 285.304 -2.413 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220582788 780367179 /nfs/dbraw/zinc/36/71/79/780367179.db2.gz DTCACTUZLACGCK-AXFHLTTASA-N 0 3 286.376 -1.637 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001220576293 780368021 /nfs/dbraw/zinc/36/80/21/780368021.db2.gz XEOOPRFVCCBJLP-YUMQZZPRSA-N 0 3 275.280 -1.518 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220578520 780368077 /nfs/dbraw/zinc/36/80/77/780368077.db2.gz FZGCQQASOIEVIE-UTUOFQBUSA-N 0 3 298.387 -1.622 20 0 CAADHN CC(=O)N1CC(NC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001220596747 780369178 /nfs/dbraw/zinc/36/91/78/780369178.db2.gz HFTRUMJZBQUEIK-NSHDSACASA-N 0 3 282.344 -1.327 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001220596635 780370048 /nfs/dbraw/zinc/37/00/48/780370048.db2.gz CCEKBUIVXCQZBZ-JTQLQIEISA-N 0 3 251.290 -1.374 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@@H](N)Cc2cnc[nH]2)C1 ZINC001220596635 780370054 /nfs/dbraw/zinc/37/00/54/780370054.db2.gz CCEKBUIVXCQZBZ-JTQLQIEISA-N 0 3 251.290 -1.374 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001220596716 780370256 /nfs/dbraw/zinc/37/02/56/780370256.db2.gz GNOWEAANGCKKEN-SNVBAGLBSA-N 0 3 268.317 -2.336 20 0 CAADHN CCCN1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220653608 780372958 /nfs/dbraw/zinc/37/29/58/780372958.db2.gz NRQJHCUVNBBYBQ-MNOVXSKESA-N 0 3 297.359 -1.097 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220678577 780374081 /nfs/dbraw/zinc/37/40/81/780374081.db2.gz FBXCCIYHQODGRW-JLIMGVALSA-N 0 3 279.348 -1.141 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220678577 780374085 /nfs/dbraw/zinc/37/40/85/780374085.db2.gz FBXCCIYHQODGRW-JLIMGVALSA-N 0 3 279.348 -1.141 20 0 CAADHN Nc1ncc(CCNC(=O)[C@@H]2COC3(CNC3)CN2)s1 ZINC001220703555 780374107 /nfs/dbraw/zinc/37/41/07/780374107.db2.gz AECVHEPTPGKCBV-VIFPVBQESA-N 0 3 297.384 -1.286 20 0 CAADHN CC(C)(C)NC(=O)CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220708832 780374673 /nfs/dbraw/zinc/37/46/73/780374673.db2.gz IUXPPMWZJNFJEG-JTQLQIEISA-N 0 3 298.387 -1.262 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220725082 780376654 /nfs/dbraw/zinc/37/66/54/780376654.db2.gz MEAICSBRWCODII-RMDKCXRXSA-N 0 3 291.417 -1.081 20 0 CAADHN CC(=O)NCCCCCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220759168 780380291 /nfs/dbraw/zinc/38/02/91/780380291.db2.gz QVSXIELWPPNGQN-GFCCVEGCSA-N 0 3 298.387 -1.261 20 0 CAADHN CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220766474 780380402 /nfs/dbraw/zinc/38/04/02/780380402.db2.gz SXDSGZXHSUIRGW-KXUCPTDWSA-N 0 3 269.345 -1.408 20 0 CAADHN CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220766473 780380880 /nfs/dbraw/zinc/38/08/80/780380880.db2.gz SXDSGZXHSUIRGW-IVZWLZJFSA-N 0 3 269.345 -1.408 20 0 CAADHN CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220766475 780380941 /nfs/dbraw/zinc/38/09/41/780380941.db2.gz SXDSGZXHSUIRGW-LPEHRKFASA-N 0 3 269.345 -1.408 20 0 CAADHN CC(=O)NCCCCCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220759169 780381072 /nfs/dbraw/zinc/38/10/72/780381072.db2.gz QVSXIELWPPNGQN-LBPRGKRZSA-N 0 3 298.387 -1.261 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1O ZINC001220822464 780383601 /nfs/dbraw/zinc/38/36/01/780383601.db2.gz ZMVXTJWGHAPYTA-MXWKQRLJSA-N 0 3 286.376 -1.637 20 0 CAADHN CCOC(=O)C1=C(NC(=O)CN2CCC(=O)C2)CNC1 ZINC001220830155 780383768 /nfs/dbraw/zinc/38/37/68/780383768.db2.gz QBQFXUGYOVQUAP-UHFFFAOYSA-N 0 3 281.312 -1.202 20 0 CAADHN O=C([O-])CCC(=O)CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220848809 780385613 /nfs/dbraw/zinc/38/56/13/780385613.db2.gz JHZLMATWOISRAN-NOZJJQNGSA-N 0 3 283.328 -1.264 20 0 CAADHN COC(=O)c1cncc(CNC(=O)[C@@H](N)CN)c1 ZINC001220843493 780386182 /nfs/dbraw/zinc/38/61/82/780386182.db2.gz WRTMKZPSPKINKA-VIFPVBQESA-N 0 3 252.274 -1.230 20 0 CAADHN CCOC(=O)[C@H](C)CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220849119 780386396 /nfs/dbraw/zinc/38/63/96/780386396.db2.gz SRFGEVRYFFYPDN-ZJUUUORDSA-N 0 3 285.344 -1.368 20 0 CAADHN CCOC(=O)[C@@H](C)CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220849117 780386554 /nfs/dbraw/zinc/38/65/54/780386554.db2.gz SRFGEVRYFFYPDN-UWVGGRQHSA-N 0 3 285.344 -1.368 20 0 CAADHN CCOC(=O)C1(NC(=O)[C@@H](N)COC(C)=O)CNC1 ZINC001220850954 780387194 /nfs/dbraw/zinc/38/71/94/780387194.db2.gz BLNAIYZNMLNUFA-QMMMGPOBSA-N 0 3 273.289 -2.102 20 0 CAADHN O=C(NCCN1CCNCC1=O)[C@@H]1C[C@@H](F)CCN1 ZINC001220872073 780387897 /nfs/dbraw/zinc/38/78/97/780387897.db2.gz JDWDITDUZNTZRK-UWVGGRQHSA-N 0 3 272.324 -1.376 20 0 CAADHN CCOC(=O)C1(NC(=O)[C@@H](N)CC[S@@](C)=O)CNC1 ZINC001220851086 780388116 /nfs/dbraw/zinc/38/81/16/780388116.db2.gz HCNRGRCYRMJIDE-WPCRTTGESA-N 0 3 291.373 -1.896 20 0 CAADHN O=C(NCCO[C@@H]1CCCCO1)[C@@H]1COC2(CNC2)CN1 ZINC001220862316 780388158 /nfs/dbraw/zinc/38/81/58/780388158.db2.gz XFWDPMDNFJBIPI-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN CCC[C@@H](CCO)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220868835 780388234 /nfs/dbraw/zinc/38/82/34/780388234.db2.gz WIBMIHVVIIYYAL-QWRGUYRKSA-N 0 3 271.361 -1.016 20 0 CAADHN O=C(NCCN1CCNCC1=O)[C@@H]1COC2(CNC2)CN1 ZINC001220872103 780390719 /nfs/dbraw/zinc/39/07/19/780390719.db2.gz KHIRKGRJOPGLAQ-JTQLQIEISA-N 0 3 297.359 -3.135 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC1CN(C2COC2)C1 ZINC001221246270 780408582 /nfs/dbraw/zinc/40/85/82/780408582.db2.gz VYFZBLYZDWPQBJ-YPMLDQLKSA-N 0 3 275.374 -1.719 20 0 CAADHN CCC(=O)N1CC[C@H](NC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001220907437 780394500 /nfs/dbraw/zinc/39/45/00/780394500.db2.gz RTTOJVYOSDECDX-QWRGUYRKSA-N 0 3 296.371 -1.556 20 0 CAADHN Cc1noc(C2(NC(=O)[C@H]3COC4(CNC4)CN3)CC2)n1 ZINC001220933074 780396508 /nfs/dbraw/zinc/39/65/08/780396508.db2.gz VCSPEUINSDLZOL-SECBINFHSA-N 0 3 293.327 -1.186 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001220921638 780396793 /nfs/dbraw/zinc/39/67/93/780396793.db2.gz LLRLGMBAJGLZLN-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001220938045 780398495 /nfs/dbraw/zinc/39/84/95/780398495.db2.gz LZCJEIVXIOBCIH-ZJUUUORDSA-N 0 3 270.333 -1.384 20 0 CAADHN Cc1nnc(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)o1 ZINC001221010338 780401943 /nfs/dbraw/zinc/40/19/43/780401943.db2.gz FQZGKKUDPZRNLX-FSPLSTOPSA-N 0 3 298.303 -2.298 20 0 CAADHN COC[C@H](NC(=O)[C@H]1COC2(CNC2)CN1)C1CC1 ZINC001221012909 780401997 /nfs/dbraw/zinc/40/19/97/780401997.db2.gz DXXNVUIRFDLHCU-WDEREUQCSA-N 0 3 269.345 -1.142 20 0 CAADHN Cc1nnc(CNC(=O)[C@H](N)CCCNC(N)=O)o1 ZINC001221011286 780402288 /nfs/dbraw/zinc/40/22/88/780402288.db2.gz ZGHRKFYMNHEALM-SSDOTTSWSA-N 0 3 270.293 -1.230 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC=CCC1 ZINC001221019386 780403011 /nfs/dbraw/zinc/40/30/11/780403011.db2.gz VOFJWMWBCFGORO-GUBZILKMSA-N 0 3 282.344 -1.081 20 0 CAADHN O=C(NC1(c2cnccn2)CC1)[C@H]1COC2(CNC2)CN1 ZINC001221081985 780403141 /nfs/dbraw/zinc/40/31/41/780403141.db2.gz BQOGSXYGLLTULQ-SNVBAGLBSA-N 0 3 289.339 -1.088 20 0 CAADHN COc1cccc(CNC(=O)CNC(=O)[C@@H](N)CN)c1 ZINC001221060637 780403240 /nfs/dbraw/zinc/40/32/40/780403240.db2.gz IKJVNUZSEIMNND-NSHDSACASA-N 0 3 280.328 -1.286 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CC=CCC1 ZINC001221019385 780403254 /nfs/dbraw/zinc/40/32/54/780403254.db2.gz VOFJWMWBCFGORO-AEJSXWLSSA-N 0 3 282.344 -1.081 20 0 CAADHN COC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(N)=O ZINC001221019328 780403299 /nfs/dbraw/zinc/40/32/99/780403299.db2.gz TVWNOEGUVMLEQM-IUCAKERBSA-N 0 3 297.315 -1.797 20 0 CAADHN CNC(=O)CN1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001221089306 780403353 /nfs/dbraw/zinc/40/33/53/780403353.db2.gz BYRKGVRHNLYIGM-MNOVXSKESA-N 0 3 286.376 -1.766 20 0 CAADHN O=C(NC1(c2cnccn2)CC1)[C@@H]1COC2(CNC2)CN1 ZINC001221081984 780403446 /nfs/dbraw/zinc/40/34/46/780403446.db2.gz BQOGSXYGLLTULQ-JTQLQIEISA-N 0 3 289.339 -1.088 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001221093807 780403999 /nfs/dbraw/zinc/40/39/99/780403999.db2.gz XYAMISRYNTYAGG-WOPDTQHZSA-N 0 3 298.387 -1.624 20 0 CAADHN Cc1nccnc1CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001221103501 780404480 /nfs/dbraw/zinc/40/44/80/780404480.db2.gz LTQJUJSFCWQIMQ-NSHDSACASA-N 0 3 277.328 -1.268 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1O ZINC001221091846 780404631 /nfs/dbraw/zinc/40/46/31/780404631.db2.gz YKCOSZZVPGMBLG-MXWKQRLJSA-N 0 3 286.376 -1.638 20 0 CAADHN Nc1c2c(=O)nccc-2[n-]n1C(=O)[C@H](N)CCC[NH3+] ZINC001221236838 780407261 /nfs/dbraw/zinc/40/72/61/780407261.db2.gz KLQWZAFAZBGFPE-ZCFIWIBFSA-N 0 3 264.289 -1.035 20 0 CAADHN N[C@@H](CC(F)F)C(=O)N1CN[C@@H](N)[C@H]2NCN[C@H]21 ZINC001221266115 780408458 /nfs/dbraw/zinc/40/84/58/780408458.db2.gz SJYXYFIDWVPIPE-IHBLQFBFSA-N 0 3 264.280 -2.512 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC1CN(C2COC2)C1 ZINC001221246180 780408888 /nfs/dbraw/zinc/40/88/88/780408888.db2.gz SFAGMLPBXMAOEN-LBPRGKRZSA-N 0 3 279.344 -1.511 20 0 CAADHN N[C@@H](CC(F)F)C(=O)N1CN[C@@H](N)[C@@H]2NCN[C@H]21 ZINC001221266119 780409030 /nfs/dbraw/zinc/40/90/30/780409030.db2.gz SJYXYFIDWVPIPE-JPCMASIJSA-N 0 3 264.280 -2.512 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001221266332 780411095 /nfs/dbraw/zinc/41/10/95/780411095.db2.gz VFXWNOMJDDFKMB-VLEAKVRGSA-N 0 3 294.363 -3.191 20 0 CAADHN N[C@@H](Cc1ccsc1)C(=O)N1CN[C@@H](N)[C@@H]2NCN[C@H]21 ZINC001221266483 780411930 /nfs/dbraw/zinc/41/19/30/780411930.db2.gz WOCFXHAPEGXFAL-MMWGEVLESA-N 0 3 296.400 -1.863 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001221265411 780412016 /nfs/dbraw/zinc/41/20/16/780412016.db2.gz LKUMETUSZPUJRP-VFRUTBLMSA-N 0 3 297.363 -3.545 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1=CC(=O)NCC1 ZINC001221316645 780414232 /nfs/dbraw/zinc/41/42/32/780414232.db2.gz LZWBTCWTAIGTJQ-XPUUQOCRSA-N 0 3 297.315 -2.786 20 0 CAADHN Nc1cn(C(=O)[C@@H]2COC3(CNC3)CN2)c(N)nc1=O ZINC001221328804 780414427 /nfs/dbraw/zinc/41/44/27/780414427.db2.gz FUEXTIKKDODVOH-ZETCQYMHSA-N 0 3 280.288 -2.379 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1=CCOC1=O ZINC001221327774 780414465 /nfs/dbraw/zinc/41/44/65/780414465.db2.gz GDVSONVBIVURQN-FSPLSTOPSA-N 0 3 284.272 -2.749 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1cc(N)c(=O)nc1N ZINC001221329740 780414474 /nfs/dbraw/zinc/41/44/74/780414474.db2.gz LPVQQALIAAVIIQ-RCOVLWMOSA-N 0 3 296.331 -1.220 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC2=CCOC2=O)C1=O ZINC001221327609 780414535 /nfs/dbraw/zinc/41/45/35/780414535.db2.gz BOLVXSACSCAYAB-QMMMGPOBSA-N 0 3 267.285 -1.117 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC1=CC(=O)NCC1 ZINC001221316553 780414985 /nfs/dbraw/zinc/41/49/85/780414985.db2.gz KYWAWBTWBFZNLZ-MRVPVSSYSA-N 0 3 269.305 -1.718 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC2=CC(=O)NCC2)C1=O ZINC001221316895 780415084 /nfs/dbraw/zinc/41/50/84/780415084.db2.gz NONFGEHCHTZKFH-JTQLQIEISA-N 0 3 280.328 -1.154 20 0 CAADHN O=C(NC1=CCOC1=O)[C@@H]1COC2(CNC2)CN1 ZINC001221333222 780415643 /nfs/dbraw/zinc/41/56/43/780415643.db2.gz WBRQJBIAFNTYJA-QMMMGPOBSA-N 0 3 253.258 -2.126 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H](O)CF ZINC001221336465 780415902 /nfs/dbraw/zinc/41/59/02/780415902.db2.gz FRGGCIMSOYILML-XVMARJQXSA-N 0 3 278.284 -2.860 20 0 CAADHN NC[C@H](N)C(=O)NCCN1CCCS1(=O)=O ZINC001221338050 780416081 /nfs/dbraw/zinc/41/60/81/780416081.db2.gz WMQAQJBURKNVJC-ZETCQYMHSA-N 0 3 250.324 -2.576 20 0 CAADHN O=C(NC[C@H]1CNC(=O)O1)[C@H]1COC2(CNC2)CN1 ZINC001221368924 780416926 /nfs/dbraw/zinc/41/69/26/780416926.db2.gz IRISRUXNECVBBO-JGVFFNPUSA-N 0 3 270.289 -2.459 20 0 CAADHN O=C(NC[C@@H]1CNC(=O)O1)[C@@H]1COC2(CNC2)CN1 ZINC001221368926 780417312 /nfs/dbraw/zinc/41/73/12/780417312.db2.gz IRISRUXNECVBBO-SFYZADRCSA-N 0 3 270.289 -2.459 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CNC(=O)O1 ZINC001221367717 780417553 /nfs/dbraw/zinc/41/75/53/780417553.db2.gz AURNSRJGUGMMEC-XKSSXDPKSA-N 0 3 286.332 -1.299 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CNC(=O)O1 ZINC001221367716 780417671 /nfs/dbraw/zinc/41/76/71/780417671.db2.gz AURNSRJGUGMMEC-NRPADANISA-N 0 3 286.332 -1.299 20 0 CAADHN CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001221370526 780418575 /nfs/dbraw/zinc/41/85/75/780418575.db2.gz SDCUFBHVANCPQA-BDAKNGLRSA-N 0 3 265.317 -1.080 20 0 CAADHN CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H](N)Cc1cnc[nH]1 ZINC001221370526 780418582 /nfs/dbraw/zinc/41/85/82/780418582.db2.gz SDCUFBHVANCPQA-BDAKNGLRSA-N 0 3 265.317 -1.080 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N[C@@H]1CNC(=O)C1(C)C ZINC001221371845 780418675 /nfs/dbraw/zinc/41/86/75/780418675.db2.gz ZSFOXQMUHNVMJO-VHSXEESVSA-N 0 3 279.344 -1.069 20 0 CAADHN CC[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001221377189 780418903 /nfs/dbraw/zinc/41/89/03/780418903.db2.gz MSSBRZDDPGDNMN-FXQIFTODSA-N 0 3 274.321 -2.419 20 0 CAADHN CC[C@@H](CO)NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001221378007 780419285 /nfs/dbraw/zinc/41/92/85/780419285.db2.gz SNKMBNAWJBGVRN-XHNCKOQMSA-N 0 3 288.348 -2.029 20 0 CAADHN CC(=O)OC[C@H](N)C(=O)NC1(CO)CCN(C)CC1 ZINC001221403417 780420112 /nfs/dbraw/zinc/42/01/12/780420112.db2.gz SMHFULLMHXMSLO-JTQLQIEISA-N 0 3 273.333 -1.550 20 0 CAADHN COC(=O)[C@@H](N)CC(=O)NC1(CO)CCN(C)CC1 ZINC001221402617 780420235 /nfs/dbraw/zinc/42/02/35/780420235.db2.gz JUIXYNZLKHIFFD-VIFPVBQESA-N 0 3 273.333 -1.550 20 0 CAADHN COC(=O)[C@@H](N)CCC(=O)NC1(CO)CCN(C)CC1 ZINC001221402332 780420317 /nfs/dbraw/zinc/42/03/17/780420317.db2.gz DDTYVDGUBQIJMG-JTQLQIEISA-N 0 3 287.360 -1.160 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H]2CCN(C[C@@H](C)O)C[C@H]21 ZINC001221598454 780421508 /nfs/dbraw/zinc/42/15/08/780421508.db2.gz MSTWRSVGALHPTG-GMTAPVOTSA-N 0 3 284.360 -1.171 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001221595766 780421587 /nfs/dbraw/zinc/42/15/87/780421587.db2.gz ZNGZNMPINWQIPO-GHMZBOCLSA-N 0 3 284.360 -1.170 20 0 CAADHN CNC(=O)CC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001221507986 780421841 /nfs/dbraw/zinc/42/18/41/780421841.db2.gz YPVUTAKVDQBEPS-NXEZZACHSA-N 0 3 255.318 -1.353 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001221457758 780421930 /nfs/dbraw/zinc/42/19/30/780421930.db2.gz WCLKRJKJWBSTFH-OUAUKWLOSA-N 0 3 285.344 -1.598 20 0 CAADHN COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001221456602 780421943 /nfs/dbraw/zinc/42/19/43/780421943.db2.gz WCLKRJKJWBSTFH-GMTAPVOTSA-N 0 3 285.344 -1.598 20 0 CAADHN CNC(=O)CC(=O)N1C[C@H]2CCN(C[C@@H](O)COC)C[C@H]21 ZINC001221506375 780422095 /nfs/dbraw/zinc/42/20/95/780422095.db2.gz ZNTZSBQZEMKBLE-IJLUTSLNSA-N 0 3 299.371 -1.338 20 0 CAADHN COCC(=O)NCCC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001221595035 780422286 /nfs/dbraw/zinc/42/22/86/780422286.db2.gz OZXFUUYQIPWUCC-VXGBXAGGSA-N 0 3 299.371 -1.336 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001221508210 780422350 /nfs/dbraw/zinc/42/23/50/780422350.db2.gz LENRFCGPUDSASP-HBNTYKKESA-N 0 3 284.360 -1.042 20 0 CAADHN CCN1CC[C@@H]2CN(C(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H]2C1 ZINC001221852198 780422887 /nfs/dbraw/zinc/42/28/87/780422887.db2.gz VRIPYLVCJUAJOS-GRYCIOLGSA-N 0 3 296.371 -1.081 20 0 CAADHN NC(=O)NCCC(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001222005696 780424352 /nfs/dbraw/zinc/42/43/52/780424352.db2.gz LFCLUCGNMKEPFB-GHMZBOCLSA-N 0 3 284.360 -1.040 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CCCC(N)=O)C1 ZINC001222111201 780424365 /nfs/dbraw/zinc/42/43/65/780424365.db2.gz NULJYSRAPPZDTK-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN NC(=O)CCCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001222111761 780424687 /nfs/dbraw/zinc/42/46/87/780424687.db2.gz URSQESULIRUUCW-SECBINFHSA-N 0 3 270.333 -1.292 20 0 CAADHN NC(=O)NCCC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001222005548 780424867 /nfs/dbraw/zinc/42/48/67/780424867.db2.gz CODCRMOZKBFMNU-NXEZZACHSA-N 0 3 270.333 -1.430 20 0 CAADHN NC(=O)C(=O)NCC1CCN(CCN2CCCC2=O)CC1 ZINC001224304162 780433323 /nfs/dbraw/zinc/43/33/23/780433323.db2.gz SDEILWHQXJZTDR-UHFFFAOYSA-N 0 3 296.371 -1.078 20 0 CAADHN CCN1CC[C@H](N2CCC(CNC(=O)C(N)=O)CC2)C1=O ZINC001224304524 780434077 /nfs/dbraw/zinc/43/40/77/780434077.db2.gz XXVLMFNCJIGRQL-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(N)=O ZINC001224725753 780434741 /nfs/dbraw/zinc/43/47/41/780434741.db2.gz WQJRBYBVVYYGAF-RKDXNWHRSA-N 0 3 285.348 -1.582 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(N)=O ZINC001224732799 780435286 /nfs/dbraw/zinc/43/52/86/780435286.db2.gz WMBPWQBOWVUEBD-HTQZYQBOSA-N 0 3 271.321 -1.843 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(C)=O ZINC001224532250 780435568 /nfs/dbraw/zinc/43/55/68/780435568.db2.gz IYKBQSNNKVMLBD-GHMZBOCLSA-N 0 3 284.360 -1.115 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001224540169 780435632 /nfs/dbraw/zinc/43/56/32/780435632.db2.gz PEOMGMHWMQHODA-NXEZZACHSA-N 0 3 270.333 -1.375 20 0 CAADHN COC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001225084115 780436108 /nfs/dbraw/zinc/43/61/08/780436108.db2.gz OKOHKANHSCSUTM-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN NC(=O)CC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001277019980 780436503 /nfs/dbraw/zinc/43/65/03/780436503.db2.gz JJQMHPWUPKPMLF-QMMMGPOBSA-N 0 3 268.317 -1.621 20 0 CAADHN CS(=O)(=O)CCCNC1(CNC(=O)CC(N)=O)CC1 ZINC001277019540 780436814 /nfs/dbraw/zinc/43/68/14/780436814.db2.gz BJCQQBVNISNHIK-UHFFFAOYSA-N 0 3 291.373 -1.465 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(=O)NC ZINC001225844820 780440973 /nfs/dbraw/zinc/44/09/73/780440973.db2.gz GGSSLQDCGKZJHP-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN COCCN1CCC(NC(=O)CNC(N)=O)CC1 ZINC001226002629 780441185 /nfs/dbraw/zinc/44/11/85/780441185.db2.gz QAGKLANNPSRQBJ-UHFFFAOYSA-N 0 3 258.322 -1.118 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1ncnn1 ZINC001226283077 780442280 /nfs/dbraw/zinc/44/22/80/780442280.db2.gz BBASFSNTYSJPMB-NXEZZACHSA-N 0 3 295.347 -1.564 20 0 CAADHN C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O)NC(N)=O ZINC001226214031 780442291 /nfs/dbraw/zinc/44/22/91/780442291.db2.gz JDYAKRAZKCXIEV-IVZWLZJFSA-N 0 3 299.375 -1.064 20 0 CAADHN CC(=O)NCCOCCNC1(CNC(=O)C(N)=O)CC1 ZINC001277157614 780444507 /nfs/dbraw/zinc/44/45/07/780444507.db2.gz GEEXRPXFIGGPND-UHFFFAOYSA-N 0 3 286.332 -2.137 20 0 CAADHN CNC(=O)NCCC(=O)NC1CCN(CCO)CC1 ZINC001227225409 780446750 /nfs/dbraw/zinc/44/67/50/780446750.db2.gz SFFHOYARGFXQIW-UHFFFAOYSA-N 0 3 272.349 -1.122 20 0 CAADHN CNS(=O)(=O)CCC(=O)NC1CCN(CCO)CC1 ZINC001227323403 780447101 /nfs/dbraw/zinc/44/71/01/780447101.db2.gz RXFARFIFEKLXPE-UHFFFAOYSA-N 0 3 293.389 -1.501 20 0 CAADHN O=C(Cn1nccn1)NC1CCN(CCOCCO)CC1 ZINC001227555078 780447654 /nfs/dbraw/zinc/44/76/54/780447654.db2.gz RRZPEOOBXJVYIM-UHFFFAOYSA-N 0 3 297.359 -1.132 20 0 CAADHN O=C(Cn1ncnn1)NC1CCN(CCOCCO)CC1 ZINC001227400198 780448427 /nfs/dbraw/zinc/44/84/27/780448427.db2.gz WRZGJHXKXQRMMT-UHFFFAOYSA-N 0 3 298.347 -1.737 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1nnn(C)n1 ZINC001227999808 780449155 /nfs/dbraw/zinc/44/91/55/780449155.db2.gz KXVVUJUCMCZOJP-RKDXNWHRSA-N 0 3 295.347 -1.413 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001228255168 780450568 /nfs/dbraw/zinc/45/05/68/780450568.db2.gz RYDZPTVAESKDDS-OPRDCNLKSA-N 0 3 297.359 -1.569 20 0 CAADHN C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O)C(=O)NC(N)=O ZINC001228295158 780450655 /nfs/dbraw/zinc/45/06/55/780450655.db2.gz DHQDJKBPNBPZNN-XLPZGREQSA-N 0 3 299.331 -1.928 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228278062 780450752 /nfs/dbraw/zinc/45/07/52/780450752.db2.gz LCXDXWPCHSXAMV-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CS(=O)(=O)CCN[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228278303 780450789 /nfs/dbraw/zinc/45/07/89/780450789.db2.gz NSUYNWKEKDVYDU-RKDXNWHRSA-N 0 3 291.373 -1.467 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCn1cnnn1 ZINC001229295182 780454696 /nfs/dbraw/zinc/45/46/96/780454696.db2.gz NAYQLCCYZKJRGG-NXEZZACHSA-N 0 3 295.347 -1.435 20 0 CAADHN Cn1ncnc1COCC(=O)NC1CCN(CCO)CC1 ZINC001229832256 780455300 /nfs/dbraw/zinc/45/53/00/780455300.db2.gz KKJQNKWSFBXMFZ-UHFFFAOYSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@@H](C(=O)N(C)C)N(C)C1CCN(C(=O)C(N)=O)CC1 ZINC001277423469 780455468 /nfs/dbraw/zinc/45/54/68/780455468.db2.gz PWJPZLUSAWSSOV-VIFPVBQESA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O ZINC001230092128 780455676 /nfs/dbraw/zinc/45/56/76/780455676.db2.gz ZGSZBANNQWRFLP-NXEZZACHSA-N 0 3 299.375 -1.192 20 0 CAADHN O=C(CCn1cnnn1)NC1CCN(CCO)CC1 ZINC001229739876 780455786 /nfs/dbraw/zinc/45/57/86/780455786.db2.gz CDQONUYAKHEBJH-UHFFFAOYSA-N 0 3 268.321 -1.364 20 0 CAADHN O=C(NC1CCN(CCOCCO)CC1)[C@@H]1CCC(=O)N1 ZINC001230078120 780455903 /nfs/dbraw/zinc/45/59/03/780455903.db2.gz DTQXMQDLJMTURO-LBPRGKRZSA-N 0 3 299.371 -1.146 20 0 CAADHN CN(CC(=O)NC(N)=O)C1CCN(C(=O)C(N)=O)CC1 ZINC001277423584 780456023 /nfs/dbraw/zinc/45/60/23/780456023.db2.gz SLWMIZPYCBTEEZ-UHFFFAOYSA-N 0 3 285.304 -2.411 20 0 CAADHN CN(Cc1cn(C)c(=O)n(C)c1=O)C[C@@H](O)CO ZINC001231770306 780468532 /nfs/dbraw/zinc/46/85/32/780468532.db2.gz WGAPVFMESIGRMW-SECBINFHSA-N 0 3 257.290 -2.131 20 0 CAADHN Cn1cc(CN2CC[C@@H](O)[C@H](CO)C2)c(=O)n(C)c1=O ZINC001231767644 780469007 /nfs/dbraw/zinc/46/90/07/780469007.db2.gz XNARFCDCRRBLRT-WDEREUQCSA-N 0 3 283.328 -1.741 20 0 CAADHN Cn1cc(CN2C[C@H](O)[C@H](CO)C2)c(=O)n(C)c1=O ZINC001231767205 780469238 /nfs/dbraw/zinc/46/92/38/780469238.db2.gz QEXBACCLHYAVKY-UWVGGRQHSA-N 0 3 269.301 -2.131 20 0 CAADHN O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)CCCF)N1 ZINC001238328314 780517095 /nfs/dbraw/zinc/51/70/95/780517095.db2.gz HWHXGBKEQOHICY-CBAPKCEASA-N 0 3 265.310 -1.157 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccnn1C)NCC(N)=O ZINC001277772030 780471578 /nfs/dbraw/zinc/47/15/78/780471578.db2.gz UQZKRAIMGVLVHD-QMMMGPOBSA-N 0 3 253.306 -1.045 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)CC(N)=O ZINC001277781520 780472151 /nfs/dbraw/zinc/47/21/51/780472151.db2.gz LRRNXPXWINAELH-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN NCCS(=O)(=O)NCCS(=O)(=O)N1CCCC1 ZINC000721880022 780472215 /nfs/dbraw/zinc/47/22/15/780472215.db2.gz HFXXKIVNKRNSCV-UHFFFAOYSA-N 0 3 285.391 -1.710 20 0 CAADHN C[C@@H](CN(C)C(=O)CC(N)=O)NCc1nc(=O)n(C)[nH]1 ZINC001277780145 780472357 /nfs/dbraw/zinc/47/23/57/780472357.db2.gz BNUVBMFGEIWGDP-ZETCQYMHSA-N 0 3 284.320 -2.080 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(C)cn1)NCC(N)=O ZINC001277793811 780472835 /nfs/dbraw/zinc/47/28/35/780472835.db2.gz VXGPDOACALVXAZ-QMMMGPOBSA-N 0 3 253.306 -1.045 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O ZINC001277799742 780472969 /nfs/dbraw/zinc/47/29/69/780472969.db2.gz AVMGCMKHZCIEIE-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001277798629 780472985 /nfs/dbraw/zinc/47/29/85/780472985.db2.gz XWVFADVZKVJZRD-SECBINFHSA-N 0 3 256.306 -1.812 20 0 CAADHN CN(CCCNC(=O)CNC(N)=O)[C@@H]1CCCNC1=O ZINC001233705845 780473281 /nfs/dbraw/zinc/47/32/81/780473281.db2.gz NRWWGDIXQKWFJT-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN CN(CCCNC(=O)CNC(N)=O)[C@H]1CCCNC1=O ZINC001233705846 780473393 /nfs/dbraw/zinc/47/33/93/780473393.db2.gz NRWWGDIXQKWFJT-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O ZINC001277799740 780474076 /nfs/dbraw/zinc/47/40/76/780474076.db2.gz AVMGCMKHZCIEIE-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN CN(CCCNC(=O)CNC(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001233713526 780474089 /nfs/dbraw/zinc/47/40/89/780474089.db2.gz QDTXMMBPGBWOET-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCNC(=O)CNC(N)=O ZINC001233721830 780474474 /nfs/dbraw/zinc/47/44/74/780474474.db2.gz IRAJRMDNMHFFPJ-QMMMGPOBSA-N 0 3 273.337 -1.643 20 0 CAADHN CN(CCCNC(=O)Cn1cnnn1)[C@@H]1CCCNC1=O ZINC001233749587 780474795 /nfs/dbraw/zinc/47/47/95/780474795.db2.gz COQHQNUWBKZTFM-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCNC(=O)Cn1cnnn1 ZINC001233751189 780475109 /nfs/dbraw/zinc/47/51/09/780475109.db2.gz PPMRTCTVEMPZRC-VIFPVBQESA-N 0 3 283.336 -1.625 20 0 CAADHN CN(CCCNC(=O)CNC(N)=O)[C@H]1CCCN(C)C1=O ZINC001233714245 780475279 /nfs/dbraw/zinc/47/52/79/780475279.db2.gz XPXFIQCUQRGERB-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnnn1C)NCC(N)=O ZINC001277809620 780475474 /nfs/dbraw/zinc/47/54/74/780475474.db2.gz IGTXQIKKXJHYLQ-ZETCQYMHSA-N 0 3 254.294 -1.650 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)CC(N)=O)C(N)=O ZINC001277832085 780479592 /nfs/dbraw/zinc/47/95/92/780479592.db2.gz PSHLARGMLJDPIE-YUMQZZPRSA-N 0 3 256.306 -1.684 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](C)NCC(N)=O)[nH]1 ZINC001277819476 780478911 /nfs/dbraw/zinc/47/89/11/780478911.db2.gz MVZCGASWEKHJQE-SSDOTTSWSA-N 0 3 268.321 -1.423 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)CC(N)=O)C(N)=O ZINC001277832084 780480126 /nfs/dbraw/zinc/48/01/26/780480126.db2.gz PSHLARGMLJDPIE-SFYZADRCSA-N 0 3 256.306 -1.684 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@@H]1CNCC(=O)NCC1CC1 ZINC001277830110 780480143 /nfs/dbraw/zinc/48/01/43/780480143.db2.gz AQCOYKHFWOTWCV-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)CC(N)=O)C(N)=O ZINC001277832083 780480288 /nfs/dbraw/zinc/48/02/88/780480288.db2.gz PSHLARGMLJDPIE-JGVFFNPUSA-N 0 3 256.306 -1.684 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)CC(N)=O)C(=O)N(C)C ZINC001277830096 780480486 /nfs/dbraw/zinc/48/04/86/780480486.db2.gz ALUZJGKNDSBEER-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001277850974 780483201 /nfs/dbraw/zinc/48/32/01/780483201.db2.gz CKGHMAKNCVEFTH-QMMMGPOBSA-N 0 3 267.293 -2.261 20 0 CAADHN CC[C@H](N[C@H](C)CN(C)C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001277920883 780488533 /nfs/dbraw/zinc/48/85/33/780488533.db2.gz BVTOMURKVDDFQB-BDAKNGLRSA-N 0 3 284.360 -1.048 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]1CNCC(=O)N1CCCC1 ZINC001277932905 780490055 /nfs/dbraw/zinc/49/00/55/780490055.db2.gz PURNPZIAVLJCAG-JTQLQIEISA-N 0 3 282.344 -1.325 20 0 CAADHN COCC(=O)N1CCC(NS(=O)(=O)CCN)CC1 ZINC000722235538 780492478 /nfs/dbraw/zinc/49/24/78/780492478.db2.gz CWTIZBNERASFME-UHFFFAOYSA-N 0 3 279.362 -1.498 20 0 CAADHN COC(=O)[C@@H]1CNCCN1Cc1c[nH]c(=O)[nH]c1=O ZINC001236054897 780495457 /nfs/dbraw/zinc/49/54/57/780495457.db2.gz HFOAQQYXGBQDLL-QMMMGPOBSA-N 0 3 268.273 -1.165 20 0 CAADHN COC(=O)[C@@H]1CNCCN1CC1C(=O)N=CNC1=O ZINC001236055628 780495502 /nfs/dbraw/zinc/49/55/02/780495502.db2.gz UKQTTZHSBWVFOJ-QMMMGPOBSA-N 0 3 268.273 -1.165 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)CCN)CCO1 ZINC000722276830 780497786 /nfs/dbraw/zinc/49/77/86/780497786.db2.gz YDGLRJZMCWWVEX-ZETCQYMHSA-N 0 3 252.292 -1.851 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)CCN)CCO1 ZINC000722276828 780498009 /nfs/dbraw/zinc/49/80/09/780498009.db2.gz YDGLRJZMCWWVEX-SSDOTTSWSA-N 0 3 252.292 -1.851 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccn(C)n1)NCC(N)=O ZINC001278017734 780499098 /nfs/dbraw/zinc/49/90/98/780499098.db2.gz OADRIOUQIAGQDV-QMMMGPOBSA-N 0 3 253.306 -1.045 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ccnc1)NCC(N)=O ZINC001278036006 780500549 /nfs/dbraw/zinc/50/05/49/780500549.db2.gz WTXZJJVKUFNYOP-SECBINFHSA-N 0 3 253.306 -1.195 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001278040785 780500958 /nfs/dbraw/zinc/50/09/58/780500958.db2.gz DNLILVULWBVTLW-QMMMGPOBSA-N 0 3 270.289 -1.491 20 0 CAADHN COC[C@H](O)CN[C@H](CO)CNC(=O)C(=O)C(C)(C)C ZINC001278054809 780502308 /nfs/dbraw/zinc/50/23/08/780502308.db2.gz WJCZQRWWVXAHJP-VHSXEESVSA-N 0 3 290.360 -1.324 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1nnn(C)c1C ZINC001278062260 780503477 /nfs/dbraw/zinc/50/34/77/780503477.db2.gz RMFXQVGAHXXWNQ-SECBINFHSA-N 0 3 271.321 -1.550 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001278069417 780503619 /nfs/dbraw/zinc/50/36/19/780503619.db2.gz ADXHKCLWSKKAHR-LLVKDONJSA-N 0 3 273.333 -1.822 20 0 CAADHN CC(C)OCCN[C@H](CO)CNC(=O)c1ncn(C)n1 ZINC001278072399 780503632 /nfs/dbraw/zinc/50/36/32/780503632.db2.gz TVQVNELQMCTDEK-JTQLQIEISA-N 0 3 285.348 -1.080 20 0 CAADHN CC(C)OCCN[C@@H](CO)CNC(=O)c1ncn(C)n1 ZINC001278072400 780503954 /nfs/dbraw/zinc/50/39/54/780503954.db2.gz TVQVNELQMCTDEK-SNVBAGLBSA-N 0 3 285.348 -1.080 20 0 CAADHN CCN(CC(=O)NC)CC1CCN(C(=O)C(N)=O)CC1 ZINC001281840343 780504996 /nfs/dbraw/zinc/50/49/96/780504996.db2.gz MCDFQVQLMLGHPA-UHFFFAOYSA-N 0 3 284.360 -1.222 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001278113115 780506434 /nfs/dbraw/zinc/50/64/34/780506434.db2.gz RSFKDENEDJKZAI-QWRGUYRKSA-N 0 3 287.360 -1.242 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cc(OC)n(C)n1 ZINC001278112540 780506888 /nfs/dbraw/zinc/50/68/88/780506888.db2.gz MJIHIPLMIQKJAX-VIFPVBQESA-N 0 3 286.332 -1.245 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001278113113 780507076 /nfs/dbraw/zinc/50/70/76/780507076.db2.gz RSFKDENEDJKZAI-GHMZBOCLSA-N 0 3 287.360 -1.242 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCCNC1=O ZINC001281868065 780507088 /nfs/dbraw/zinc/50/70/88/780507088.db2.gz DJKPOCHTLJXGNM-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001278113114 780507133 /nfs/dbraw/zinc/50/71/33/780507133.db2.gz RSFKDENEDJKZAI-MNOVXSKESA-N 0 3 287.360 -1.242 20 0 CAADHN COC(=O)c1cc(NS(=O)(=O)CCN)n(C)n1 ZINC001237517082 780507147 /nfs/dbraw/zinc/50/71/47/780507147.db2.gz YXOFPGRSMDGETJ-UHFFFAOYSA-N 0 3 262.291 -1.093 20 0 CAADHN NC(=O)C(=O)NC[C@@H](CO)NC[C@H]1CCS(=O)(=O)C1 ZINC001278146263 780509313 /nfs/dbraw/zinc/50/93/13/780509313.db2.gz FDESBHNCFYTCHJ-SFYZADRCSA-N 0 3 293.345 -3.027 20 0 CAADHN CC(C)=CCN[C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001278136908 780509668 /nfs/dbraw/zinc/50/96/68/780509668.db2.gz BLIRCBMJXHTCMU-SECBINFHSA-N 0 3 268.321 -1.143 20 0 CAADHN NC(=O)C(=O)NC[C@H](CO)NC[C@H]1CCS(=O)(=O)C1 ZINC001278146257 780509898 /nfs/dbraw/zinc/50/98/98/780509898.db2.gz FDESBHNCFYTCHJ-HTQZYQBOSA-N 0 3 293.345 -3.027 20 0 CAADHN NC(=O)C(=O)NC[C@H](CO)NC[C@@H]1CCS(=O)(=O)C1 ZINC001278146261 780510016 /nfs/dbraw/zinc/51/00/16/780510016.db2.gz FDESBHNCFYTCHJ-JGVFFNPUSA-N 0 3 293.345 -3.027 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001278201939 780514158 /nfs/dbraw/zinc/51/41/58/780514158.db2.gz MHVNKAIAGOBTFH-VIFPVBQESA-N 0 3 286.332 -1.950 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cn(C)c(=O)n1C ZINC001278201938 780514292 /nfs/dbraw/zinc/51/42/92/780514292.db2.gz MHVNKAIAGOBTFH-SECBINFHSA-N 0 3 286.332 -1.950 20 0 CAADHN NCCS(=O)(=O)NCCNC(=O)c1ccncc1 ZINC001238367820 780517014 /nfs/dbraw/zinc/51/70/14/780517014.db2.gz CYNIRHHZLMDEKX-UHFFFAOYSA-N 0 3 272.330 -1.311 20 0 CAADHN COC(=O)CCS(=O)(=O)[N-][C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238333269 780517204 /nfs/dbraw/zinc/51/72/04/780517204.db2.gz VETDKJPFIFBKRU-XVKPBYJWSA-N 0 3 291.329 -1.953 20 0 CAADHN O=C1C[C@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)CCCF)N1 ZINC001238328272 780517224 /nfs/dbraw/zinc/51/72/24/780517224.db2.gz HWHXGBKEQOHICY-APPZFPTMSA-N 0 3 265.310 -1.157 20 0 CAADHN NCCS(=O)(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001238346022 780517241 /nfs/dbraw/zinc/51/72/41/780517241.db2.gz BDFSTKSPMIBUCB-JTQLQIEISA-N 0 3 271.342 -1.039 20 0 CAADHN COCCS(=O)(=O)[N-][C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238334129 780517300 /nfs/dbraw/zinc/51/73/00/780517300.db2.gz XJTIWAGCPYEZGB-APPZFPTMSA-N 0 3 263.319 -1.870 20 0 CAADHN CCOCCS(=O)(=O)[N-][C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238333754 780517348 /nfs/dbraw/zinc/51/73/48/780517348.db2.gz WWIOAUNSBLJYPP-WCBMZHEXSA-N 0 3 277.346 -1.480 20 0 CAADHN COC(=O)CC(CC(=O)OC)NS(=O)(=O)CCN ZINC001238583248 780521059 /nfs/dbraw/zinc/52/10/59/780521059.db2.gz RWXFMCIBNDULLJ-UHFFFAOYSA-N 0 3 282.318 -1.641 20 0 CAADHN COC(=O)[C@H](Cc1cncn1C)[N-]S(=O)(=O)CC[NH3+] ZINC001238746890 780523109 /nfs/dbraw/zinc/52/31/09/780523109.db2.gz UCMBXPQYZNQJRK-VIFPVBQESA-N 0 3 290.345 -1.618 20 0 CAADHN NCCS(=O)(=O)N[C@@H]1CCN(c2cnccn2)C1 ZINC001238813318 780523277 /nfs/dbraw/zinc/52/32/77/780523277.db2.gz RICXOWVTRNXCHL-SECBINFHSA-N 0 3 271.346 -1.067 20 0 CAADHN CN(C)S(=O)(=O)NCCCC[C@H](N)C(N)=O ZINC001238836430 780523311 /nfs/dbraw/zinc/52/33/11/780523311.db2.gz LCRRIYZNMGJFOD-ZETCQYMHSA-N 0 3 252.340 -1.635 20 0 CAADHN COCCn1cnc(CNS(=O)(=O)CCN)c1 ZINC001238818241 780523606 /nfs/dbraw/zinc/52/36/06/780523606.db2.gz KLDUSEOSGPQKSD-UHFFFAOYSA-N 0 3 262.335 -1.092 20 0 CAADHN NCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001239047053 780528780 /nfs/dbraw/zinc/52/87/80/780528780.db2.gz PCTAINLIDCIPKA-IVZWLZJFSA-N 0 3 264.347 -1.253 20 0 CAADHN COC(=O)[C@@]12COC[C@@H]1CN(S(=O)(=O)CCN)C2 ZINC001239031596 780528519 /nfs/dbraw/zinc/52/85/19/780528519.db2.gz MCRNQGMYWZKGNJ-WPRPVWTQSA-N 0 3 278.330 -1.604 20 0 CAADHN NCCS(=O)(=O)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001239047055 780528934 /nfs/dbraw/zinc/52/89/34/780528934.db2.gz PCTAINLIDCIPKA-KXUCPTDWSA-N 0 3 264.347 -1.253 20 0 CAADHN NCCS(=O)(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001239101111 780529814 /nfs/dbraw/zinc/52/98/14/780529814.db2.gz COWIDMNHQFABNZ-UHFFFAOYSA-N 0 3 289.357 -1.206 20 0 CAADHN CCOC(=O)[C@@H]1COCCN1S(=O)(=O)CCN ZINC001239125628 780531339 /nfs/dbraw/zinc/53/13/39/780531339.db2.gz MBMRMQGUXZQPIN-QMMMGPOBSA-N 0 3 266.319 -1.461 20 0 CAADHN NCCS(=O)(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001239108021 780531402 /nfs/dbraw/zinc/53/14/02/780531402.db2.gz VVHQXEVBIJUURD-MRVPVSSYSA-N 0 3 263.319 -2.182 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)CCN)CCN1C ZINC001239112524 780531939 /nfs/dbraw/zinc/53/19/39/780531939.db2.gz XHIOXWVPZZVGIC-QMMMGPOBSA-N 0 3 265.335 -1.936 20 0 CAADHN COC(=O)[C@H](C)NC(=O)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239299300 780534052 /nfs/dbraw/zinc/53/40/52/780534052.db2.gz RKCQRULKYABBGX-FXQIFTODSA-N 0 3 273.289 -1.310 20 0 CAADHN NCCS(=O)(=O)N1CCC(=O)N2CCC[C@H]2C1 ZINC001239168099 780534110 /nfs/dbraw/zinc/53/41/10/780534110.db2.gz ZJDCXPXDPGWXID-VIFPVBQESA-N 0 3 261.347 -1.028 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)C(F)F)C[C@H]1N ZINC001239137519 780534211 /nfs/dbraw/zinc/53/42/11/780534211.db2.gz XUYQJMIAQDTBGR-RFZPGFLSSA-N 0 3 258.246 -1.029 20 0 CAADHN CCOC(=O)CNC(=O)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239297419 780534264 /nfs/dbraw/zinc/53/42/64/780534264.db2.gz DISRRKLOFGCQII-HTQZYQBOSA-N 0 3 273.289 -1.309 20 0 CAADHN CCOC(=O)CS(=O)(=O)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239137011 780534276 /nfs/dbraw/zinc/53/42/76/780534276.db2.gz VVUPKVMEOVWQBE-JGVFFNPUSA-N 0 3 294.329 -1.689 20 0 CAADHN COCCNC(=S)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239450290 780537473 /nfs/dbraw/zinc/53/74/73/780537473.db2.gz AQMDHPIPPKCOCN-JGVFFNPUSA-N 0 3 261.347 -1.061 20 0 CAADHN COC(=O)CNC(=S)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239450606 780537507 /nfs/dbraw/zinc/53/75/07/780537507.db2.gz CCNSDCJPVYVSQC-RNFRBKRXSA-N 0 3 275.330 -1.534 20 0 CAADHN CCCOC[C@H](O)CN[C@H]1CCS(=O)(=O)C12CNC2 ZINC001245984099 780539222 /nfs/dbraw/zinc/53/92/22/780539222.db2.gz HZLRVZHGCQCCLJ-MNOVXSKESA-N 0 3 292.401 -1.107 20 0 CAADHN CCOC(=O)[C@H](N)CNC[C@H](O)CN1CCOCC1 ZINC001246007357 780539897 /nfs/dbraw/zinc/53/98/97/780539897.db2.gz KKKHIOUADYYYER-WDEREUQCSA-N 0 3 275.349 -1.841 20 0 CAADHN CCCOC[C@@H](O)CN[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001245984102 780540092 /nfs/dbraw/zinc/54/00/92/780540092.db2.gz HZLRVZHGCQCCLJ-WDEREUQCSA-N 0 3 292.401 -1.107 20 0 CAADHN COC(=O)[C@@H]1CNCCN1CC1(O)CCOCC1 ZINC001246048831 780540982 /nfs/dbraw/zinc/54/09/82/780540982.db2.gz NMRZUQNFTQGYSS-JTQLQIEISA-N 0 3 258.318 -1.025 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCN2CCNC2=O)CN1 ZINC001246071722 780542663 /nfs/dbraw/zinc/54/26/63/780542663.db2.gz CKOHFMKHAGYGLX-BDAKNGLRSA-N 0 3 256.306 -1.495 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCc2nnn3c2CNCCC3)CN1 ZINC001246129662 780543750 /nfs/dbraw/zinc/54/37/50/780543750.db2.gz HAXRYVZNAGHESM-ZJUUUORDSA-N 0 3 294.359 -1.236 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCc2nnn3c2CNCCC3)CN1 ZINC001246129658 780544223 /nfs/dbraw/zinc/54/42/23/780544223.db2.gz HAXRYVZNAGHESM-UWVGGRQHSA-N 0 3 294.359 -1.236 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCCS(C)(=O)=O)CN1 ZINC001246182057 780547075 /nfs/dbraw/zinc/54/70/75/780547075.db2.gz PDVAKNNUIGYYKU-BDAKNGLRSA-N 0 3 264.347 -1.086 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCCS(C)(=O)=O)CN1 ZINC001246182058 780547170 /nfs/dbraw/zinc/54/71/70/780547170.db2.gz PDVAKNNUIGYYKU-IUCAKERBSA-N 0 3 264.347 -1.086 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]([NH2+]CCCc2c[n-][nH]c2=O)CN1 ZINC001246171772 780547462 /nfs/dbraw/zinc/54/74/62/780547462.db2.gz DGARODGKSMAKDI-BBBLOLIVSA-N 0 3 268.317 -1.009 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](N(C)S(=O)(=O)CCN)CN1 ZINC001246182641 780547510 /nfs/dbraw/zinc/54/75/10/780547510.db2.gz BGEQVASZHBHXES-IUCAKERBSA-N 0 3 279.362 -1.500 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NC2CC(CO)(CO)C2)CN1 ZINC001246215102 780548930 /nfs/dbraw/zinc/54/89/30/780548930.db2.gz MLSQIMZNRIFEOA-WPRPVWTQSA-N 0 3 258.318 -1.387 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](NCCS(=O)(=O)N(C)C)CN1 ZINC001246248508 780549369 /nfs/dbraw/zinc/54/93/69/780549369.db2.gz YEVAUDGYFHVZJA-ZJUUUORDSA-N 0 3 293.389 -1.239 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](NCCS(=O)(=O)N(C)C)CN1 ZINC001246248505 780549562 /nfs/dbraw/zinc/54/95/62/780549562.db2.gz YEVAUDGYFHVZJA-UWVGGRQHSA-N 0 3 293.389 -1.239 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC[C@@H]2CNC(=O)CO2)CN1 ZINC001246254201 780549608 /nfs/dbraw/zinc/54/96/08/780549608.db2.gz FWWZYHKFHKXKKS-HLTSFMKQSA-N 0 3 257.290 -2.006 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NC[C@@H]2CNC(=O)CO2)CN1 ZINC001246254203 780549959 /nfs/dbraw/zinc/54/99/59/780549959.db2.gz FWWZYHKFHKXKKS-YIZRAAEISA-N 0 3 257.290 -2.006 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](NC2(C(N)=O)CCOCC2)CN1 ZINC001246258119 780549974 /nfs/dbraw/zinc/54/99/74/780549974.db2.gz WERIGAHYINHIRB-ZJUUUORDSA-N 0 3 285.344 -1.096 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCN2CCC(O)CC2)CN1 ZINC001246236542 780550089 /nfs/dbraw/zinc/55/00/89/780550089.db2.gz MCVADUPWUWDWDU-PWSUYJOCSA-N 0 3 271.361 -1.064 20 0 CAADHN CCOC(=O)CC1(N[C@@H]2CN[C@H](C(=O)OC)C2)CNC1 ZINC001246245935 780550159 /nfs/dbraw/zinc/55/01/59/780550159.db2.gz BLHLLDNKGYYJSF-UWVGGRQHSA-N 0 3 285.344 -1.225 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCN2CCC(O)CC2)CN1 ZINC001246236540 780550223 /nfs/dbraw/zinc/55/02/23/780550223.db2.gz MCVADUPWUWDWDU-JQWIXIFHSA-N 0 3 271.361 -1.064 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCN2CC3(COC3)C2)CN1 ZINC001246298599 780551302 /nfs/dbraw/zinc/55/13/02/780551302.db2.gz BRXKROONADFMEC-QWRGUYRKSA-N 0 3 269.345 -1.188 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCN2CC[C@@H](O)C2)CN1 ZINC001246265266 780551409 /nfs/dbraw/zinc/55/14/09/780551409.db2.gz VFQHQDUDFGMISU-AXFHLTTASA-N 0 3 257.334 -1.454 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCN2CCNCC2=O)CN1 ZINC001246356305 780552620 /nfs/dbraw/zinc/55/26/20/780552620.db2.gz NFAXBAIVGDZIPA-ZJUUUORDSA-N 0 3 270.333 -2.089 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](N[C@@H](C)C(=O)NCC(N)=O)CN1 ZINC001246406237 780553166 /nfs/dbraw/zinc/55/31/66/780553166.db2.gz SIOHICBDSLLAKX-YIZRAAEISA-N 0 3 286.332 -2.140 20 0 CAADHN CCOC(=O)[C@H](N)CN[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246414719 780553411 /nfs/dbraw/zinc/55/34/11/780553411.db2.gz BEFUXYTXOIXZNV-BBBLOLIVSA-N 0 3 273.333 -1.240 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](NC2CN(C3COC3)C2)CN1 ZINC001246463767 780555744 /nfs/dbraw/zinc/55/57/44/780555744.db2.gz WRAIFEDDEKDIAH-SKDRFNHKSA-N 0 3 269.345 -1.047 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N(C)C[C@H]2CNCCO2)CN1 ZINC001246560183 780556710 /nfs/dbraw/zinc/55/67/10/780556710.db2.gz UXRVRNUVXUKLTL-AXFHLTTASA-N 0 3 257.334 -1.190 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N(C)C[C@@H]2CNCCO2)CN1 ZINC001246560185 780557269 /nfs/dbraw/zinc/55/72/69/780557269.db2.gz UXRVRNUVXUKLTL-DCAQKATOSA-N 0 3 257.334 -1.190 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](N2CCNC(=O)C23CNC3)CN1 ZINC001246637942 780559634 /nfs/dbraw/zinc/55/96/34/780559634.db2.gz QSOCJCJAWFRSNT-UWVGGRQHSA-N 0 3 282.344 -1.946 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](N2CCOC3(CNC3)C2)CN1 ZINC001246627820 780559715 /nfs/dbraw/zinc/55/97/15/780559715.db2.gz XPLVUXVGBWJDJY-QWRGUYRKSA-N 0 3 269.345 -1.046 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](N2CCNC(=O)C23CNC3)CN1 ZINC001246637943 780559744 /nfs/dbraw/zinc/55/97/44/780559744.db2.gz QSOCJCJAWFRSNT-ZJUUUORDSA-N 0 3 282.344 -1.946 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CCNC[C@H]2C(=O)OC)CN1 ZINC001246627790 780559846 /nfs/dbraw/zinc/55/98/46/780559846.db2.gz XKBCBRAGZXXDRO-UTLUCORTSA-N 0 3 271.317 -1.663 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3OCCN[C@H]3C2)CN1 ZINC001246658230 780559864 /nfs/dbraw/zinc/55/98/64/780559864.db2.gz PQMJEQSYYUZCCK-BJDJZHNGSA-N 0 3 269.345 -1.047 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CCNC[C@H]2C(=O)OC)CCN1 ZINC001246857987 780562824 /nfs/dbraw/zinc/56/28/24/780562824.db2.gz YOMXHXOXALFKLR-VWYCJHECSA-N 0 3 285.344 -1.273 20 0 CAADHN COC(=O)[C@@H]1CN(C2CCS(=O)(=O)CC2)C[C@@H]1N ZINC001246930579 780565975 /nfs/dbraw/zinc/56/59/75/780565975.db2.gz LHTDQSBELUNAAH-ZJUUUORDSA-N 0 3 276.358 -1.004 20 0 CAADHN COC(=O)[C@@H]1CN([C@H]2CCS(=O)(=O)C2)C[C@@H]1N ZINC001246933144 780566104 /nfs/dbraw/zinc/56/61/04/780566104.db2.gz QRGMRURTWDJVJP-YIZRAAEISA-N 0 3 262.331 -1.394 20 0 CAADHN COC(=O)[C@@H]1CN([C@H]2CCS(=O)(=O)C2)C[C@H]1N ZINC001246933140 780566131 /nfs/dbraw/zinc/56/61/31/780566131.db2.gz QRGMRURTWDJVJP-DJLDLDEBSA-N 0 3 262.331 -1.394 20 0 CAADHN COC(=O)[C@@H]1CN([C@@H]2CCS(=O)(=O)C2)C[C@@H]1N ZINC001246933142 780566542 /nfs/dbraw/zinc/56/65/42/780566542.db2.gz QRGMRURTWDJVJP-HLTSFMKQSA-N 0 3 262.331 -1.394 20 0 CAADHN C[C@]1(CO)CN(C[C@H](O)CN2CCOCC2)CC[C@@H]1O ZINC001251010489 780569597 /nfs/dbraw/zinc/56/95/97/780569597.db2.gz XDHCRWHFTSYTCU-HZSPNIEDSA-N 0 3 288.388 -1.255 20 0 CAADHN CN1CCC2(CN(C[C@@H](O)CN3CCOCC3)C2)C1=O ZINC001251025080 780569764 /nfs/dbraw/zinc/56/97/64/780569764.db2.gz ZKHYQFZXRMGYPI-LBPRGKRZSA-N 0 3 283.372 -1.156 20 0 CAADHN O=C1NCCCC[C@@H]1NC[C@@H](O)CN1CCOCC1 ZINC001251033186 780569786 /nfs/dbraw/zinc/56/97/86/780569786.db2.gz LHKNFJUGKDCSGZ-NEPJUHHUSA-N 0 3 271.361 -1.062 20 0 CAADHN CN1CCN(C2CN(C[C@@H](O)CN3CCOCC3)C2)CC1 ZINC001251022653 780570388 /nfs/dbraw/zinc/57/03/88/780570388.db2.gz FROBIHGJHORCMS-HNNXBMFYSA-N 0 3 298.431 -1.389 20 0 CAADHN CC(=O)N1CC(NC[C@H](O)CN2CCOCC2)C1 ZINC001251044274 780572632 /nfs/dbraw/zinc/57/26/32/780572632.db2.gz WJUGGMPTUMNPOM-LBPRGKRZSA-N 0 3 257.334 -1.500 20 0 CAADHN C[C@@]1(NC[C@H](O)CN2CCOCC2)CCC(=O)NC1=O ZINC001251043900 780572638 /nfs/dbraw/zinc/57/26/38/780572638.db2.gz RVSGBACODMIYPO-GXFFZTMASA-N 0 3 285.344 -1.536 20 0 CAADHN O[C@H](CNC1CN(C2COC2)C1)CN1CCOCC1 ZINC001251047614 780573445 /nfs/dbraw/zinc/57/34/45/780573445.db2.gz URFDDDOLIXBQNV-CYBMUJFWSA-N 0 3 271.361 -1.648 20 0 CAADHN CCOC(=O)CNC(=O)CNC(=O)CNC[C@H](C)O ZINC001251971696 780579902 /nfs/dbraw/zinc/57/99/02/780579902.db2.gz OMGKMBRKQKBXFN-QMMMGPOBSA-N 0 3 275.305 -2.248 20 0 CAADHN C[C@H](O)CN[C@@H](Cc1ccc(O)cc1)C(=O)NCC(N)=O ZINC001251975392 780579947 /nfs/dbraw/zinc/57/99/47/780579947.db2.gz LWHSIMLUURPANH-CABZTGNLSA-N 0 3 295.339 -1.125 20 0 CAADHN CCOC[C@H](O)CN[C@@H](Cc1c[nH]cn1)C(N)=O ZINC001252052426 780580517 /nfs/dbraw/zinc/58/05/17/780580517.db2.gz LWPFRPCQEBNAPS-ZJUUUORDSA-N 0 3 256.306 -1.207 20 0 CAADHN CCOC[C@@H](O)CN1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001252027266 780580559 /nfs/dbraw/zinc/58/05/59/780580559.db2.gz VAOLQDDMQDYSBO-GXTWGEPZSA-N 0 3 299.371 -1.193 20 0 CAADHN OC[C@@H](O)CN1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001252058154 780580668 /nfs/dbraw/zinc/58/06/68/780580668.db2.gz WIJNRZCCSNNYEO-FRRDWIJNSA-N 0 3 294.355 -1.033 20 0 CAADHN OC[C@@H](O)CN1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001252058153 780580896 /nfs/dbraw/zinc/58/08/96/780580896.db2.gz WIJNRZCCSNNYEO-AVGNSLFASA-N 0 3 294.355 -1.033 20 0 CAADHN OC[C@@H](O)CN1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001252058155 780581261 /nfs/dbraw/zinc/58/12/61/780581261.db2.gz WIJNRZCCSNNYEO-RWMBFGLXSA-N 0 3 294.355 -1.033 20 0 CAADHN COC(=O)[C@@H]1C[C@H](C(=O)OC)CN(C[C@H](O)CO)C1 ZINC001252060420 780582042 /nfs/dbraw/zinc/58/20/42/780582042.db2.gz SJQGTTBYOQNSKW-AEJSXWLSSA-N 0 3 275.301 -1.376 20 0 CAADHN CN(C)CC(=O)N[C@@H]1CCCN(C[C@H](O)CO)C1 ZINC001252063113 780582740 /nfs/dbraw/zinc/58/27/40/780582740.db2.gz ZNNHXLWXLGDDII-MNOVXSKESA-N 0 3 259.350 -1.518 20 0 CAADHN COC(=O)[C@@H](O)CN1CCC2(CNC(=O)N2)CC1 ZINC001252423085 780585174 /nfs/dbraw/zinc/58/51/74/780585174.db2.gz NSGQZSMHYGSDQD-QMMMGPOBSA-N 0 3 257.290 -1.332 20 0 CAADHN COC(=O)[C@H](O)CN1CCC2(CNC(=O)N2)CC1 ZINC001252423084 780585801 /nfs/dbraw/zinc/58/58/01/780585801.db2.gz NSGQZSMHYGSDQD-MRVPVSSYSA-N 0 3 257.290 -1.332 20 0 CAADHN COC(=O)[C@@H](O)CN1CCC2(CC1)CNC(=O)CO2 ZINC001252428600 780586334 /nfs/dbraw/zinc/58/63/34/780586334.db2.gz SSZMPBCLWGLCGP-VIFPVBQESA-N 0 3 272.301 -1.499 20 0 CAADHN COC(=O)[C@@H](O)CN1CCC2(CC1)NC(=O)NC2=O ZINC001252427344 780586525 /nfs/dbraw/zinc/58/65/25/780586525.db2.gz HRLNGQYTWHCQDG-ZETCQYMHSA-N 0 3 271.273 -1.806 20 0 CAADHN C[C@H](NC[C@H](O)COCc1ccco1)C(=O)NCC(N)=O ZINC001252659403 780588178 /nfs/dbraw/zinc/58/81/78/780588178.db2.gz BUMSDLWSHLVFHT-UWVGGRQHSA-N 0 3 299.327 -1.263 20 0 CAADHN CC(C)OC[C@@H](O)CN[C@@H](C)C(=O)NCC(N)=O ZINC001252698247 780589173 /nfs/dbraw/zinc/58/91/73/780589173.db2.gz IDMAXBOBZBTBCX-IUCAKERBSA-N 0 3 261.322 -1.648 20 0 CAADHN CC(C)OC[C@@H](O)CN[C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001252698072 780589958 /nfs/dbraw/zinc/58/99/58/780589958.db2.gz AODXGJKFBLZQEE-GUBZILKMSA-N 0 3 275.349 -1.260 20 0 CAADHN C[C@H](NCC1(O)CCOCC1)C(=O)NCC(N)=O ZINC001252978195 780591121 /nfs/dbraw/zinc/59/11/21/780591121.db2.gz ALSOVFRJPKUPFW-QMMMGPOBSA-N 0 3 259.306 -1.893 20 0 CAADHN NC(=O)[C@H](Cc1c[nH]cn1)NCC1(O)CCOCC1 ZINC001252979427 780591311 /nfs/dbraw/zinc/59/13/11/780591311.db2.gz DBFNPHMMTUELKY-JTQLQIEISA-N 0 3 268.317 -1.063 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)COC ZINC001278703943 780591816 /nfs/dbraw/zinc/59/18/16/780591816.db2.gz NIJPSEUHBZCNQD-BDAKNGLRSA-N 0 3 261.322 -1.824 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CNCCS(C)(=O)=O ZINC001278703531 780592601 /nfs/dbraw/zinc/59/26/01/780592601.db2.gz JGGAWNXPBJEHGX-VIFPVBQESA-N 0 3 252.336 -1.540 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)COC ZINC001278703946 780592683 /nfs/dbraw/zinc/59/26/83/780592683.db2.gz NIJPSEUHBZCNQD-IUCAKERBSA-N 0 3 261.322 -1.824 20 0 CAADHN CN(C[C@H](O)CNC/C=C\Cl)C(=O)Cn1cnnn1 ZINC001278731197 780593770 /nfs/dbraw/zinc/59/37/70/780593770.db2.gz IAMLTANUALXKAT-PKRMOACSSA-N 0 3 288.739 -1.166 20 0 CAADHN CN(C[C@@H](O)CNCc1ccnn1C)C(=O)CC(N)=O ZINC001278737295 780594435 /nfs/dbraw/zinc/59/44/35/780594435.db2.gz KYGLIBWSNIFMNW-JTQLQIEISA-N 0 3 283.332 -1.796 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](O)CNCCF ZINC001278761999 780599285 /nfs/dbraw/zinc/59/92/85/780599285.db2.gz KPXLGBXCUJANFM-MRVPVSSYSA-N 0 3 264.301 -1.706 20 0 CAADHN COCCOCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001278765917 780601103 /nfs/dbraw/zinc/60/11/03/780601103.db2.gz FFUFWJURSJFXGF-GFCCVEGCSA-N 0 3 276.333 -1.805 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@@H]1CCOC1 ZINC001278765931 780601331 /nfs/dbraw/zinc/60/13/31/780601331.db2.gz FJCDGOSJTYFKEU-PWSUYJOCSA-N 0 3 258.318 -1.432 20 0 CAADHN COCCOCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001278765918 780601387 /nfs/dbraw/zinc/60/13/87/780601387.db2.gz FFUFWJURSJFXGF-LBPRGKRZSA-N 0 3 276.333 -1.805 20 0 CAADHN CCOC(=O)CN1CCC(N[C@H](CO)C(N)=O)CC1 ZINC001254395641 780604587 /nfs/dbraw/zinc/60/45/87/780604587.db2.gz SYNSMPRYCYPUQC-SNVBAGLBSA-N 0 3 273.333 -1.550 20 0 CAADHN Cc1nc([C@@H](C)NC[C@@H](O)CN(C)C(=O)C(N)=O)n[nH]1 ZINC001278797717 780606178 /nfs/dbraw/zinc/60/61/78/780606178.db2.gz LJZODMNBAXFRRK-HTRCEHHLSA-N 0 3 284.320 -1.932 20 0 CAADHN CCOCCN1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001278799404 780606193 /nfs/dbraw/zinc/60/61/93/780606193.db2.gz AIHPVPSYHWZKFM-GFCCVEGCSA-N 0 3 298.347 -1.587 20 0 CAADHN CC(C)COCCN1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278799717 780606364 /nfs/dbraw/zinc/60/63/64/780606364.db2.gz FSACKKRBCIWYRD-CYBMUJFWSA-N 0 3 287.360 -1.303 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NCC1CC1)C(=O)C(N)=O ZINC001278798737 780606441 /nfs/dbraw/zinc/60/64/41/780606441.db2.gz SXLWCORMMHKTDT-VIFPVBQESA-N 0 3 286.332 -2.593 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NCC1CC1)C(=O)C(N)=O ZINC001278798736 780606492 /nfs/dbraw/zinc/60/64/92/780606492.db2.gz SXLWCORMMHKTDT-SECBINFHSA-N 0 3 286.332 -2.593 20 0 CAADHN Cc1nc([C@@H](C)NC[C@H](O)CN(C)C(=O)C(N)=O)n[nH]1 ZINC001278797719 780606664 /nfs/dbraw/zinc/60/66/64/780606664.db2.gz LJZODMNBAXFRRK-SVRRBLITSA-N 0 3 284.320 -1.932 20 0 CAADHN Cn1ncc(C(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001278810699 780607240 /nfs/dbraw/zinc/60/72/40/780607240.db2.gz NTUUFJBRLNDWJU-LLVKDONJSA-N 0 3 269.305 -2.026 20 0 CAADHN C[C@@]1(C(=O)NC[C@@]2(O)CCN(CCO)C2)CCNC1=O ZINC001278805956 780607588 /nfs/dbraw/zinc/60/75/88/780607588.db2.gz TVPPUEZUSFPQNM-OLZOCXBDSA-N 0 3 285.344 -1.942 20 0 CAADHN NC(=O)C[C@H](N[C@@H]1CC2CCN(CC2)C1)C(N)=O ZINC001254848967 780608735 /nfs/dbraw/zinc/60/87/35/780608735.db2.gz ZPYNDOHQHWQMPQ-ZJUUUORDSA-N 0 3 254.334 -1.210 20 0 CAADHN CNC(=O)C1(C(=O)N(C)C[C@@H](O)CNCCF)CC1 ZINC001278817258 780608977 /nfs/dbraw/zinc/60/89/77/780608977.db2.gz NRKOYEMYTNBUDC-VIFPVBQESA-N 0 3 275.324 -1.109 20 0 CAADHN OC[C@H]1O[C@H](O)[C@H](NC2CCOCC2)[C@@H](O)[C@@H]1O ZINC001255033691 780611087 /nfs/dbraw/zinc/61/10/87/780611087.db2.gz USWVQYABSKIMJH-ILAIQSSSSA-N 0 3 263.290 -2.445 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@@H]1CCCN1C(N)=O ZINC001278839462 780611389 /nfs/dbraw/zinc/61/13/89/780611389.db2.gz PUUOABHFKAJHLB-ZJUUUORDSA-N 0 3 290.339 -1.092 20 0 CAADHN CC1(C)C[C@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CCO1 ZINC001255528367 780614903 /nfs/dbraw/zinc/61/49/03/780614903.db2.gz MOOLMAQUXQHCNQ-PAUJSFGCSA-N 0 3 291.344 -1.667 20 0 CAADHN CN1CCC[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001255471615 780615211 /nfs/dbraw/zinc/61/52/11/780615211.db2.gz BBLKQCUDSJJZEB-OJEYFTNHSA-N 0 3 276.333 -2.530 20 0 CAADHN CN1CCC[C@@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001255471618 780615229 /nfs/dbraw/zinc/61/52/29/780615229.db2.gz BBLKQCUDSJJZEB-ZKSVUJDCSA-N 0 3 276.333 -2.530 20 0 CAADHN CN1CCC[C@H](NCC(=O)NCC(=O)NCC(N)=O)C1 ZINC001255480024 780615295 /nfs/dbraw/zinc/61/52/95/780615295.db2.gz QNMMQQZFVKAGEM-VIFPVBQESA-N 0 3 285.348 -2.612 20 0 CAADHN COC[C@H](C)NCC(=O)NCC(=O)NCC(N)=O ZINC001255566085 780616175 /nfs/dbraw/zinc/61/61/75/780616175.db2.gz AJRSWEWVEKXOTL-ZETCQYMHSA-N 0 3 260.294 -2.671 20 0 CAADHN CCOC(=O)N1CCC(N[C@@H](CC(N)=O)C(N)=O)CC1 ZINC001256236900 780621188 /nfs/dbraw/zinc/62/11/88/780621188.db2.gz YQDVGZWRRLKECN-VIFPVBQESA-N 0 3 286.332 -1.074 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCc2nnn(C)n2)C1 ZINC001256124019 780621441 /nfs/dbraw/zinc/62/14/41/780621441.db2.gz SLQXRFIXVGRIQN-SNVBAGLBSA-N 0 3 269.309 -1.924 20 0 CAADHN COC(=O)CNC(=O)[C@H](C)NC1CCS(=O)(=O)CC1 ZINC001256382056 780623688 /nfs/dbraw/zinc/62/36/88/780623688.db2.gz VFYUYGFMHXQCGP-QMMMGPOBSA-N 0 3 292.357 -1.169 20 0 CAADHN CS(=O)(=O)N(C1CNC1)C1CCS(=O)(=O)CC1 ZINC001256389467 780623958 /nfs/dbraw/zinc/62/39/58/780623958.db2.gz MVOMYLKDQQNMSW-UHFFFAOYSA-N 0 3 282.387 -1.203 20 0 CAADHN C[C@@H](Cc1ccncc1)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001256725397 780625665 /nfs/dbraw/zinc/62/56/65/780625665.db2.gz IYLLFYCHJCQFST-UKLPQCNCSA-N 0 3 298.339 -1.598 20 0 CAADHN CCOC(=O)[C@H]1CC[C@@H](NCC(=O)NCC(N)=O)C1 ZINC001257046934 780626922 /nfs/dbraw/zinc/62/69/22/780626922.db2.gz ZAGMFFIBSADWTF-DTWKUNHWSA-N 0 3 271.317 -1.091 20 0 CAADHN C[C@@H]1CC(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@@H](C)O1 ZINC001257077726 780627345 /nfs/dbraw/zinc/62/73/45/780627345.db2.gz BYWVDKQBQNEKLV-IOZKPIKHSA-N 0 3 291.344 -1.668 20 0 CAADHN CC[C@H](C)N[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001257434238 780629683 /nfs/dbraw/zinc/62/96/83/780629683.db2.gz XRCIGNOETGUBOL-RULNCXCMSA-N 0 3 299.327 -1.044 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001258266992 780632407 /nfs/dbraw/zinc/63/24/07/780632407.db2.gz OCGISWWTENDMAI-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CCOC(=O)CC[C@@H](C)NCC(=O)NCC(N)=O ZINC001258488084 780633900 /nfs/dbraw/zinc/63/39/00/780633900.db2.gz TUVQMSOLMKFOAC-MRVPVSSYSA-N 0 3 259.306 -1.091 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)C1CCN([C@@H]2CCCNC2=O)CC1 ZINC001279097164 780634048 /nfs/dbraw/zinc/63/40/48/780634048.db2.gz MODBUQHVJMQQGA-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN COC(=O)CS(=O)(=O)N1C[C@H]2CN(C)C[C@H]2C1 ZINC001259022753 780637231 /nfs/dbraw/zinc/63/72/31/780637231.db2.gz HDDPYSOSSHYWBO-DTORHVGOSA-N 0 3 262.331 -1.017 20 0 CAADHN COCCN1CCO[C@@H]2CN(S(N)(=O)=O)CC[C@@H]2C1 ZINC001260077271 780646797 /nfs/dbraw/zinc/64/67/97/780646797.db2.gz NLVLYQRPWBXGBO-GHMZBOCLSA-N 0 3 293.389 -1.141 20 0 CAADHN Cn1nncc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC001261125311 780657370 /nfs/dbraw/zinc/65/73/70/780657370.db2.gz HSZFOQKWFQFLMP-LLVKDONJSA-N 0 3 264.333 -1.179 20 0 CAADHN Cn1cc([C@@H](O)CNC(=O)C[C@@H]2CNCCO2)cn1 ZINC001261493264 780666269 /nfs/dbraw/zinc/66/62/69/780666269.db2.gz QQKDFIRMYBFNPS-MNOVXSKESA-N 0 3 268.317 -1.052 20 0 CAADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC[NH2+]C1CC1 ZINC001261492182 780666384 /nfs/dbraw/zinc/66/63/84/780666384.db2.gz TZKYSNHKYFZPHA-UHFFFAOYSA-N 0 3 253.262 -1.048 20 0 CAADHN O=C(NC[C@H]1CNCCO1)[C@H]1CCS(=O)(=O)N1 ZINC001261527189 780669461 /nfs/dbraw/zinc/66/94/61/780669461.db2.gz JGIBBVHYPVFMJS-HTQZYQBOSA-N 0 3 263.319 -2.217 20 0 CAADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCCC2)n1 ZINC001261636408 780674581 /nfs/dbraw/zinc/67/45/81/780674581.db2.gz JJUYRSQKKRDKOH-UHFFFAOYSA-N 0 3 279.300 -1.121 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCC1=O ZINC001261634475 780674635 /nfs/dbraw/zinc/67/46/35/780674635.db2.gz HUSJFIONEIZTSJ-JTQLQIEISA-N 0 3 298.343 -2.218 20 0 CAADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CC(F)C2)n1 ZINC001261636379 780674669 /nfs/dbraw/zinc/67/46/69/780674669.db2.gz HWVVVLSXHUGRLW-UHFFFAOYSA-N 0 3 283.263 -1.563 20 0 CAADHN CC1(C)NC(=O)N(CCNC2(C(N)=O)CCOCC2)C1=O ZINC001261642143 780675900 /nfs/dbraw/zinc/67/59/00/780675900.db2.gz YFUGMFALQDJTSE-UHFFFAOYSA-N 0 3 298.343 -1.059 20 0 CAADHN CN1CCN(CCCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001261661887 780676989 /nfs/dbraw/zinc/67/69/89/780676989.db2.gz CLFCUSAIJQGTCV-NSHDSACASA-N 0 3 268.361 -1.124 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(C)C2=O)C1 ZINC001261696813 780677909 /nfs/dbraw/zinc/67/79/09/780677909.db2.gz XOEFRIXQCUGQFX-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001261742162 780681228 /nfs/dbraw/zinc/68/12/28/780681228.db2.gz MLRLIPRRVWTXAH-UWVGGRQHSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001261742163 780681325 /nfs/dbraw/zinc/68/13/25/780681325.db2.gz MLRLIPRRVWTXAH-VHSXEESVSA-N 0 3 257.334 -1.059 20 0 CAADHN O=CN1CCC[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001261746492 780681375 /nfs/dbraw/zinc/68/13/75/780681375.db2.gz LGPLAQNFMUXSFD-TUAOUCFPSA-N 0 3 267.329 -1.115 20 0 CAADHN CN1CCN(CCCNC(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC001261789114 780683312 /nfs/dbraw/zinc/68/33/12/780683312.db2.gz SVLUNKVJOZGZQW-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN C=CC(=O)NCCC(=O)NCCN1CC[C@H](O)C1 ZINC001261839968 780690297 /nfs/dbraw/zinc/69/02/97/780690297.db2.gz SKCASMVRAWDQAY-JTQLQIEISA-N 0 3 255.318 -1.139 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCCNC(=O)C1 ZINC001261902922 780693881 /nfs/dbraw/zinc/69/38/81/780693881.db2.gz HDYAFTASUXKEIA-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)C[C@@H]1CNCCO1 ZINC001262010173 780696243 /nfs/dbraw/zinc/69/62/43/780696243.db2.gz WVIOVOVFQNHYCZ-SECBINFHSA-N 0 3 279.362 -1.580 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)C[C@H]1CNCCO1 ZINC001262010174 780696377 /nfs/dbraw/zinc/69/63/77/780696377.db2.gz WVIOVOVFQNHYCZ-VIFPVBQESA-N 0 3 279.362 -1.580 20 0 CAADHN CO[C@@H](CN)C(=O)NCCC1N=NC(=S)N1C ZINC001262035343 780698203 /nfs/dbraw/zinc/69/82/03/780698203.db2.gz HBMNSQUVUKTCDT-LURJTMIESA-N 0 3 259.335 -1.264 20 0 CAADHN CN(Cc1ncc[nH]1)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001262069468 780698675 /nfs/dbraw/zinc/69/86/75/780698675.db2.gz DKNXLTMXBVCNJX-VIFPVBQESA-N 0 3 281.316 -1.527 20 0 CAADHN CN(Cc1ncc[nH]1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC001262069467 780698746 /nfs/dbraw/zinc/69/87/46/780698746.db2.gz DKNXLTMXBVCNJX-SECBINFHSA-N 0 3 281.316 -1.527 20 0 CAADHN CN1CCC(N(CCO)C(=O)CN2C(=O)CNC2=O)CC1 ZINC001262182369 780702073 /nfs/dbraw/zinc/70/20/73/780702073.db2.gz PPYNCGNUTRZMFH-UHFFFAOYSA-N 0 3 298.343 -1.547 20 0 CAADHN CN(CCO)CCN(C)C(=O)CSCC(N)=O ZINC001262184902 780703006 /nfs/dbraw/zinc/70/30/06/780703006.db2.gz VNLKRKFLJYBYOA-UHFFFAOYSA-N 0 3 263.363 -1.413 20 0 CAADHN CN(CCCCO)C(=O)C(=O)N1CCNCCNCC1 ZINC001262204423 780703912 /nfs/dbraw/zinc/70/39/12/780703912.db2.gz SFOCTCSQNWNARD-UHFFFAOYSA-N 0 3 286.376 -1.761 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CCNS(C)(=O)=O)C1=O ZINC001262197111 780704166 /nfs/dbraw/zinc/70/41/66/780704166.db2.gz FKKLOYMDKGIQPM-SSDOTTSWSA-N 0 3 278.334 -1.982 20 0 CAADHN CO[C@@H](C)CN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC001262204942 780704358 /nfs/dbraw/zinc/70/43/58/780704358.db2.gz GGGJRPAGHJKKDR-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CC1(C)CN(C[C@H](O)CO)CCN1C[C@H](O)CO ZINC001262234053 780705976 /nfs/dbraw/zinc/70/59/76/780705976.db2.gz UADJWEQTQIOPSN-QWRGUYRKSA-N 0 3 262.350 -1.911 20 0 CAADHN CN(C[C@H](O)C[C@@]1(O)CCOC1)[C@@H]1COC[C@H]1O ZINC001262305761 780707480 /nfs/dbraw/zinc/70/74/80/780707480.db2.gz UEPLJEYQTXQOFO-KKOKHZNYSA-N 0 3 261.318 -1.420 20 0 CAADHN CN(C)CCCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001262316615 780707838 /nfs/dbraw/zinc/70/78/38/780707838.db2.gz MKOAOIMFFYGXQT-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN O=S1(=O)NC[C@H]2CN(C[C@@H]3CCOC3)CCN21 ZINC001262320352 780708177 /nfs/dbraw/zinc/70/81/77/780708177.db2.gz IIOLKRQJOYPFAD-UWVGGRQHSA-N 0 3 261.347 -1.143 20 0 CAADHN CN1CCN(C)CCN(CC(=O)N2CCNC2=O)CC1 ZINC001262331723 780708679 /nfs/dbraw/zinc/70/86/79/780708679.db2.gz JYWSUNNJRZYRIX-UHFFFAOYSA-N 0 3 283.376 -1.283 20 0 CAADHN O=C(NC[C@@H]1CCOC1)C(=O)N1CCNCCNCC1 ZINC001262543762 780714160 /nfs/dbraw/zinc/71/41/60/780714160.db2.gz KRMRSWUOYYJJJK-NSHDSACASA-N 0 3 284.360 -1.840 20 0 CAADHN COC[C@H](NC(=O)[C@@H]1CNCCN1C)C(=O)OC ZINC001263116280 780721004 /nfs/dbraw/zinc/72/10/04/780721004.db2.gz SWYMUEFRDCUKIM-IUCAKERBSA-N 0 3 259.306 -1.806 20 0 CAADHN CCN1CCCN(C(=O)[C@H]2CNCCN2C)CC1=O ZINC001263122167 780721243 /nfs/dbraw/zinc/72/12/43/780721243.db2.gz PBYCWRYHGBJHBK-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN COC[C@@H](NC(=O)[C@@H]1CNCCN1C)C(=O)OC ZINC001263116278 780721660 /nfs/dbraw/zinc/72/16/60/780721660.db2.gz SWYMUEFRDCUKIM-BDAKNGLRSA-N 0 3 259.306 -1.806 20 0 CAADHN C[C@@H](C(=O)N1CCNCCNCC1)S(C)(=O)=O ZINC001263211282 780725421 /nfs/dbraw/zinc/72/54/21/780725421.db2.gz LEJDQKHJWQADOH-VIFPVBQESA-N 0 3 263.363 -1.559 20 0 CAADHN CC[C@H](N)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)OC ZINC001263271187 780726230 /nfs/dbraw/zinc/72/62/30/780726230.db2.gz VYRUXYHSQFPVCI-JGVFFNPUSA-N 0 3 257.290 -1.434 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)NCC(N)=O ZINC001265761150 780757438 /nfs/dbraw/zinc/75/74/38/780757438.db2.gz OLUJAKAAQFYOKJ-BDAKNGLRSA-N 0 3 258.322 -2.103 20 0 CAADHN NC(=O)[C@@]1(O)CCN(CCN2C(=O)CCC2=O)C1 ZINC000381182302 780729000 /nfs/dbraw/zinc/72/90/00/780729000.db2.gz KFWCUPUUHUZUFT-LLVKDONJSA-N 0 3 255.274 -1.943 20 0 CAADHN NC(=O)[C@]1(O)CCN(CCN2C(=O)CCC2=O)C1 ZINC000381182303 780729238 /nfs/dbraw/zinc/72/92/38/780729238.db2.gz KFWCUPUUHUZUFT-NSHDSACASA-N 0 3 255.274 -1.943 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001263825540 780731705 /nfs/dbraw/zinc/73/17/05/780731705.db2.gz ZJLSQQGPHLULTF-WDEREUQCSA-N 0 3 295.339 -1.197 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001263825539 780731894 /nfs/dbraw/zinc/73/18/94/780731894.db2.gz ZJLSQQGPHLULTF-QWRGUYRKSA-N 0 3 295.339 -1.197 20 0 CAADHN COC(=O)[C@@H](O)CNCCC(=O)N1CCOCC1 ZINC000385272751 780734394 /nfs/dbraw/zinc/73/43/94/780734394.db2.gz GMAKICHOJUHXAZ-VIFPVBQESA-N 0 3 260.290 -1.641 20 0 CAADHN CCNC(=O)CN[C@H]1CCCCCN(C(=O)C(N)=O)C1 ZINC001264122611 780734692 /nfs/dbraw/zinc/73/46/92/780734692.db2.gz PYHMTWKBSNYSSQ-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001281081684 780736423 /nfs/dbraw/zinc/73/64/23/780736423.db2.gz MGQINGZWHWLGSM-QMMMGPOBSA-N 0 3 274.321 -2.593 20 0 CAADHN CN(CCCNC(=O)c1nnn(C)n1)[C@@H]1CCCNC1=O ZINC001265023166 780742137 /nfs/dbraw/zinc/74/21/37/780742137.db2.gz XSLUMLXGUPXGGC-SECBINFHSA-N 0 3 295.347 -1.460 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@@H]1CCCCN1C(=O)C(N)=O ZINC001265090061 780742559 /nfs/dbraw/zinc/74/25/59/780742559.db2.gz VOZJKMUVTKKAEH-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001265278047 780744784 /nfs/dbraw/zinc/74/47/84/780744784.db2.gz YYHBYJGTNXKYLR-MNOVXSKESA-N 0 3 295.343 -1.690 20 0 CAADHN NC(=O)CC(=O)N[C@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001265278048 780745187 /nfs/dbraw/zinc/74/51/87/780745187.db2.gz YYHBYJGTNXKYLR-QWRGUYRKSA-N 0 3 295.343 -1.690 20 0 CAADHN O=C(CCN1C(=O)CCC1=O)N[C@@H]1CCN(CCO)C1 ZINC001265291862 780747420 /nfs/dbraw/zinc/74/74/20/780747420.db2.gz AIWACKKDRPKZLF-SNVBAGLBSA-N 0 3 283.328 -1.292 20 0 CAADHN Cn1ncc(CCC(=O)N[C@H]2CCN(CCO)C2)n1 ZINC001265303655 780747437 /nfs/dbraw/zinc/74/74/37/780747437.db2.gz LZNRWUJKDZNHNU-NSHDSACASA-N 0 3 267.333 -1.070 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)Cc1cc[nH]n1)C1CC1 ZINC001265350309 780748061 /nfs/dbraw/zinc/74/80/61/780748061.db2.gz NHFWNEHSPLIXKH-SNVBAGLBSA-N 0 3 265.317 -1.078 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CNC(=O)CC(N)=O)C1CC1 ZINC001265349406 780748084 /nfs/dbraw/zinc/74/80/84/780748084.db2.gz CVHSWJKKGZOFDB-IONNQARKSA-N 0 3 270.333 -1.519 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001265378801 780748104 /nfs/dbraw/zinc/74/81/04/780748104.db2.gz SPFMJWFWTDZGAF-DTWKUNHWSA-N 0 3 268.317 -1.765 20 0 CAADHN NC(=O)CC(=O)NC[C@H](NCC(=O)N1CCC1)C1CC1 ZINC001265350836 780748125 /nfs/dbraw/zinc/74/81/25/780748125.db2.gz ZEXSROJKGOLUHQ-JTQLQIEISA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CNC(=O)CC(N)=O)C1CC1 ZINC001265349405 780748148 /nfs/dbraw/zinc/74/81/48/780748148.db2.gz CVHSWJKKGZOFDB-CBAPKCEASA-N 0 3 270.333 -1.519 20 0 CAADHN NC(=O)CC(=O)NC[C@H](NCC(=O)NC1CC1)C1CC1 ZINC001265350094 780748232 /nfs/dbraw/zinc/74/82/32/780748232.db2.gz LODHOHSPNMDWOI-JTQLQIEISA-N 0 3 282.344 -1.375 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)Cn1cccn1)C1CC1 ZINC001265345582 780748366 /nfs/dbraw/zinc/74/83/66/780748366.db2.gz GMTUTVITPBXKQI-JTQLQIEISA-N 0 3 265.317 -1.147 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@]1(C)CCNC1=O)C1CC1 ZINC001265369676 780748468 /nfs/dbraw/zinc/74/84/68/780748468.db2.gz BTGFSQOSOFGPNP-IINYFYTJSA-N 0 3 296.371 -1.257 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)N[C@H]1CCN(CCO)C1 ZINC001265315094 780748499 /nfs/dbraw/zinc/74/84/99/780748499.db2.gz PENMIQAVECQBAR-DTWKUNHWSA-N 0 3 284.316 -1.843 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001265367621 780748647 /nfs/dbraw/zinc/74/86/47/780748647.db2.gz AFNOUDRMQIMMJP-KLBPJQLPSA-N 0 3 267.329 -1.152 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](NCC(=O)N1CCC1)C1CC1 ZINC001265350837 780748696 /nfs/dbraw/zinc/74/86/96/780748696.db2.gz ZEXSROJKGOLUHQ-SNVBAGLBSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)Cc1cc[nH]n1)C1CC1 ZINC001265350308 780748754 /nfs/dbraw/zinc/74/87/54/780748754.db2.gz NHFWNEHSPLIXKH-JTQLQIEISA-N 0 3 265.317 -1.078 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001265367622 780748887 /nfs/dbraw/zinc/74/88/87/780748887.db2.gz AFNOUDRMQIMMJP-MIZYBKAJSA-N 0 3 267.329 -1.152 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001265379751 780748931 /nfs/dbraw/zinc/74/89/31/780748931.db2.gz DZBTWPATHHQJHM-SECBINFHSA-N 0 3 266.305 -1.752 20 0 CAADHN CCCOCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001265421162 780749467 /nfs/dbraw/zinc/74/94/67/780749467.db2.gz SWVJLZPXAARXGH-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN CS(=O)(=O)CCN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001265424287 780749630 /nfs/dbraw/zinc/74/96/30/780749630.db2.gz OEDANKDGOAQJJS-QMMMGPOBSA-N 0 3 277.346 -1.903 20 0 CAADHN CCS(=O)(=O)NCCN[C@H]1CCN(C(=O)COC)C1 ZINC001265417332 780749649 /nfs/dbraw/zinc/74/96/49/780749649.db2.gz OBNLFPQQEZHYGQ-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CC(C)(C)C(=O)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001265422436 780749955 /nfs/dbraw/zinc/74/99/55/780749955.db2.gz MLSVSPQWVZUDQX-QMMMGPOBSA-N 0 3 298.343 -1.013 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001265451320 780750004 /nfs/dbraw/zinc/75/00/04/780750004.db2.gz KGXOHVMTFYUGLZ-QMMMGPOBSA-N 0 3 267.289 -1.038 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001265417161 780750119 /nfs/dbraw/zinc/75/01/19/780750119.db2.gz HQXIQRCEQLVUDM-UWVGGRQHSA-N 0 3 268.317 -1.799 20 0 CAADHN NC(=O)C(=O)NC[C@@H]1CCCN(CCNC(=O)C2CC2)C1 ZINC001265591175 780753586 /nfs/dbraw/zinc/75/35/86/780753586.db2.gz PFODWNKCZSRPRI-JTQLQIEISA-N 0 3 296.371 -1.174 20 0 CAADHN NC(=O)C(=O)NC[C@H]1CCCN(CCNC(=O)C2CC2)C1 ZINC001265591176 780754206 /nfs/dbraw/zinc/75/42/06/780754206.db2.gz PFODWNKCZSRPRI-SNVBAGLBSA-N 0 3 296.371 -1.174 20 0 CAADHN CS(=O)(=O)N1CCC(N2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000701612221 780755046 /nfs/dbraw/zinc/75/50/46/780755046.db2.gz CNGBLTNBKVECKI-KOLCDFICSA-N 0 3 278.374 -1.305 20 0 CAADHN CNC(=O)C1(C(=O)N2CCCC[C@H]2CNCC(N)=O)CC1 ZINC001265686569 780755084 /nfs/dbraw/zinc/75/50/84/780755084.db2.gz SZGXAHPGMDYYBN-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCC(=O)NC1=O ZINC001265750417 780755115 /nfs/dbraw/zinc/75/51/15/780755115.db2.gz LQKAXDYPTMWJQM-HTQZYQBOSA-N 0 3 295.303 -2.427 20 0 CAADHN CC[C@@H](NC[C@@H]1CCCCN1C(=O)C(N)=O)C(N)=O ZINC001265679584 780755341 /nfs/dbraw/zinc/75/53/41/780755341.db2.gz FXQKBIFDTRQJEN-DTWKUNHWSA-N 0 3 270.333 -1.294 20 0 CAADHN C[C@H](CNC(=O)CCn1cncn1)N[C@@H](C)C(N)=O ZINC001265752875 780755401 /nfs/dbraw/zinc/75/54/01/780755401.db2.gz PRGVCNZVIQNORD-BDAKNGLRSA-N 0 3 268.321 -1.364 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)NCc1n[nH]c(C)n1 ZINC001265748575 780755444 /nfs/dbraw/zinc/75/54/44/780755444.db2.gz NTFQBWRBZQJQEF-ZETCQYMHSA-N 0 3 268.321 -1.156 20 0 CAADHN CNC(=O)C1(C(=O)N2CCCC[C@@H]2CNCC(N)=O)CC1 ZINC001265686570 780755480 /nfs/dbraw/zinc/75/54/80/780755480.db2.gz SZGXAHPGMDYYBN-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN CS(=O)(=O)N1CCC(N2C[C@H](O)[C@H](CO)C2)CC1 ZINC000701612227 780755530 /nfs/dbraw/zinc/75/55/30/780755530.db2.gz CNGBLTNBKVECKI-ONGXEEELSA-N 0 3 278.374 -1.305 20 0 CAADHN C[C@@H](NC[C@H]1CCCCN1C(=O)CC(N)=O)C(N)=O ZINC001265665991 780755634 /nfs/dbraw/zinc/75/56/34/780755634.db2.gz PMAHGFYVGNFEJL-RKDXNWHRSA-N 0 3 270.333 -1.294 20 0 CAADHN C[C@@H](CNC(=O)c1cn[nH]c1)N[C@@H]1CCC(=O)NC1=O ZINC001265755066 780755730 /nfs/dbraw/zinc/75/57/30/780755730.db2.gz RFYTVJUJKCORSS-IONNQARKSA-N 0 3 279.300 -1.077 20 0 CAADHN C[C@@H](NC[C@@H]1CCCCN1C(=O)CC(N)=O)C(N)=O ZINC001265665988 780755809 /nfs/dbraw/zinc/75/58/09/780755809.db2.gz PMAHGFYVGNFEJL-BDAKNGLRSA-N 0 3 270.333 -1.294 20 0 CAADHN CC(C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC000393087502 780755986 /nfs/dbraw/zinc/75/59/86/780755986.db2.gz VNBBHDTUBJTABP-UHFFFAOYSA-N 0 3 282.344 -1.054 20 0 CAADHN CC[C@H](NC[C@@H]1CCCCN1C(=O)C(N)=O)C(N)=O ZINC001265679585 780756001 /nfs/dbraw/zinc/75/60/01/780756001.db2.gz FXQKBIFDTRQJEN-IUCAKERBSA-N 0 3 270.333 -1.294 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001265757930 780756044 /nfs/dbraw/zinc/75/60/44/780756044.db2.gz YXKLNJAANFNYCS-RNFRBKRXSA-N 0 3 260.294 -1.690 20 0 CAADHN CS(=O)(=O)N1CCC(N2C[C@H](CO)[C@H](O)C2)CC1 ZINC000701612224 780756078 /nfs/dbraw/zinc/75/60/78/780756078.db2.gz CNGBLTNBKVECKI-MWLCHTKSSA-N 0 3 278.374 -1.305 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001265768436 780756480 /nfs/dbraw/zinc/75/64/80/780756480.db2.gz BDBCWPVLFMVPJM-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N[C@H]1CCNC1=O ZINC001265770618 780756750 /nfs/dbraw/zinc/75/67/50/780756750.db2.gz GZSXQYXQVXGAHO-SFYZADRCSA-N 0 3 266.305 -1.589 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)N[C@H]1CCNC1=O ZINC001265770619 780756981 /nfs/dbraw/zinc/75/69/81/780756981.db2.gz GZSXQYXQVXGAHO-YUMQZZPRSA-N 0 3 266.305 -1.589 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)NCCS(C)(=O)=O ZINC001265760695 780757118 /nfs/dbraw/zinc/75/71/18/780757118.db2.gz FWRRBLUZTDOGCF-ZETCQYMHSA-N 0 3 265.335 -1.999 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)N[C@@H]1CCNC1=O ZINC001265770617 780757217 /nfs/dbraw/zinc/75/72/17/780757217.db2.gz GZSXQYXQVXGAHO-JGVFFNPUSA-N 0 3 266.305 -1.589 20 0 CAADHN C[C@H](CNC(=O)CCc1ccnn1C)NCC(N)=O ZINC001265781929 780757227 /nfs/dbraw/zinc/75/72/27/780757227.db2.gz OGTVVIUPQYFXKF-SECBINFHSA-N 0 3 267.333 -1.068 20 0 CAADHN C[C@H](CNC(=O)CC(C)(C)O)NCCNS(C)(=O)=O ZINC001265771356 780757236 /nfs/dbraw/zinc/75/72/36/780757236.db2.gz UPIMNMMNPOTFFJ-SECBINFHSA-N 0 3 295.405 -1.209 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001265758696 780757261 /nfs/dbraw/zinc/75/72/61/780757261.db2.gz IKSSTHCQTZXWNK-JGVFFNPUSA-N 0 3 258.322 -1.519 20 0 CAADHN C[C@@H](CNC(=O)CCc1ccn(C)n1)NCC(N)=O ZINC001265782430 780757272 /nfs/dbraw/zinc/75/72/72/780757272.db2.gz XSOKTFMESOOIPU-VIFPVBQESA-N 0 3 267.333 -1.068 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N[C@H](C)C(N)=O ZINC001265771388 780757356 /nfs/dbraw/zinc/75/73/56/780757356.db2.gz UXTKJCFQJBIQNY-RNFRBKRXSA-N 0 3 254.294 -1.603 20 0 CAADHN C[C@@H](CNC(=O)CCc1ccnn1C)NCC(N)=O ZINC001265781930 780757367 /nfs/dbraw/zinc/75/73/67/780757367.db2.gz OGTVVIUPQYFXKF-VIFPVBQESA-N 0 3 267.333 -1.068 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001265771387 780757381 /nfs/dbraw/zinc/75/73/81/780757381.db2.gz UXTKJCFQJBIQNY-NKWVEPMBSA-N 0 3 254.294 -1.603 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](C)NCC(=O)NC)n1 ZINC001265770398 780757452 /nfs/dbraw/zinc/75/74/52/780757452.db2.gz CCVYAKJKFMUPPD-MRVPVSSYSA-N 0 3 268.321 -1.248 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](C)NCC(=O)NC)n1 ZINC001265770399 780757466 /nfs/dbraw/zinc/75/74/66/780757466.db2.gz CCVYAKJKFMUPPD-QMMMGPOBSA-N 0 3 268.321 -1.248 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)NCc1ccnn1C ZINC001265761679 780757474 /nfs/dbraw/zinc/75/74/74/780757474.db2.gz YWWXWBATMKXFMW-QMMMGPOBSA-N 0 3 253.306 -1.110 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001265808587 780758142 /nfs/dbraw/zinc/75/81/42/780758142.db2.gz HAYANOWMOSABRX-VHSXEESVSA-N 0 3 284.360 -1.259 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001265808586 780758189 /nfs/dbraw/zinc/75/81/89/780758189.db2.gz HAYANOWMOSABRX-UWVGGRQHSA-N 0 3 284.360 -1.259 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N[C@H]1CCNC1=O ZINC001265811729 780758334 /nfs/dbraw/zinc/75/83/34/780758334.db2.gz WXXZAPNKQMEVRA-BQBZGAKWSA-N 0 3 267.293 -2.194 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCNC1=O)NCC(=O)N(C)C ZINC001265788401 780758471 /nfs/dbraw/zinc/75/84/71/780758471.db2.gz LNMNFYWWJZPIAM-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001265785563 780758611 /nfs/dbraw/zinc/75/86/11/780758611.db2.gz DWEGHCRKDYFLAO-SSDOTTSWSA-N 0 3 258.322 -1.662 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)NCC(=O)NC(N)=O ZINC001265808496 780758796 /nfs/dbraw/zinc/75/87/96/780758796.db2.gz FLFOUVMJFSBLGI-GJMOJQLCSA-N 0 3 256.306 -1.068 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001265789101 780758907 /nfs/dbraw/zinc/75/89/07/780758907.db2.gz ZPQLAAUAYKTRPH-YUMQZZPRSA-N 0 3 272.349 -1.273 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@]1(C)CCNC1=O ZINC001265823398 780760143 /nfs/dbraw/zinc/76/01/43/780760143.db2.gz HHUHIPRBWQEOAQ-PRHODGIISA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](CNC(=O)Cc1c[nH]cn1)N[C@@H]1CCNC1=O ZINC001265830097 780760455 /nfs/dbraw/zinc/76/04/55/780760455.db2.gz NTOXFEMZHFBKBF-WCBMZHEXSA-N 0 3 265.317 -1.065 20 0 CAADHN C[C@H](CNC(=O)c1cnon1)N[C@@H]1CCNC1=O ZINC001265841934 780761118 /nfs/dbraw/zinc/76/11/18/780761118.db2.gz ZOXGHNVVIIGGHP-RNFRBKRXSA-N 0 3 253.262 -1.334 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)Cc1nonc1C ZINC001265845865 780761133 /nfs/dbraw/zinc/76/11/33/780761133.db2.gz GVDWQMQNZXVAPM-SSDOTTSWSA-N 0 3 269.305 -1.239 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001265860758 780761263 /nfs/dbraw/zinc/76/12/63/780761263.db2.gz ALJKZMUIYGDBSJ-YUMQZZPRSA-N 0 3 299.331 -2.185 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)N[C@@H](C)C(N)=O ZINC001265838651 780761622 /nfs/dbraw/zinc/76/16/22/780761622.db2.gz NUKOOJGGMOQUAQ-BQBZGAKWSA-N 0 3 254.294 -1.603 20 0 CAADHN C[C@@H](CNC(=O)CCCn1cncn1)NCC(N)=O ZINC001265848651 780761638 /nfs/dbraw/zinc/76/16/38/780761638.db2.gz NDYVKZDUPGRYHE-VIFPVBQESA-N 0 3 268.321 -1.362 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N[C@H]1CCNC1=O ZINC001265839004 780761737 /nfs/dbraw/zinc/76/17/37/780761737.db2.gz WEJCSPIBWZIUBP-SFYZADRCSA-N 0 3 266.305 -1.589 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001265860756 780761947 /nfs/dbraw/zinc/76/19/47/780761947.db2.gz ALJKZMUIYGDBSJ-JGVFFNPUSA-N 0 3 299.331 -2.185 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001265860757 780762056 /nfs/dbraw/zinc/76/20/56/780762056.db2.gz ALJKZMUIYGDBSJ-SFYZADRCSA-N 0 3 299.331 -2.185 20 0 CAADHN C[C@H](CNC(=O)c1cnon1)N[C@H]1CCNC1=O ZINC001265841935 780762117 /nfs/dbraw/zinc/76/21/17/780762117.db2.gz ZOXGHNVVIIGGHP-RQJHMYQMSA-N 0 3 253.262 -1.334 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)Cc1nonc1C ZINC001265845866 780762265 /nfs/dbraw/zinc/76/22/65/780762265.db2.gz GVDWQMQNZXVAPM-ZETCQYMHSA-N 0 3 269.305 -1.239 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001265861386 780762820 /nfs/dbraw/zinc/76/28/20/780762820.db2.gz NOKDFCJEKYAZIM-QMMMGPOBSA-N 0 3 284.316 -2.024 20 0 CAADHN CCOCCNC(=O)CN[C@H]1CCN(C(=O)COC)C1 ZINC001265883565 780762911 /nfs/dbraw/zinc/76/29/11/780762911.db2.gz NYPXIJKZDCTCNE-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccnc1)N[C@@H](C)C(N)=O ZINC001265872867 780762936 /nfs/dbraw/zinc/76/29/36/780762936.db2.gz ILSLNIDQYUTWFP-IUCAKERBSA-N 0 3 253.306 -1.149 20 0 CAADHN CN(CC1CC1)C(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001265898019 780763316 /nfs/dbraw/zinc/76/33/16/780763316.db2.gz YURRFUTZYLLHDL-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN COCCOCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001265895052 780763398 /nfs/dbraw/zinc/76/33/98/780763398.db2.gz COJJTBVWHKCOSH-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)N[C@H]1CCCN(S(=O)(=O)CCN)C1 ZINC000702149157 780763511 /nfs/dbraw/zinc/76/35/11/780763511.db2.gz LYYFHPZIDGBYGF-QMMMGPOBSA-N 0 3 264.351 -1.332 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)NCCF ZINC001265867189 780763548 /nfs/dbraw/zinc/76/35/48/780763548.db2.gz LUTBDEZUIZQEJF-HTQZYQBOSA-N 0 3 267.326 -1.258 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)NCCF ZINC001265867192 780763619 /nfs/dbraw/zinc/76/36/19/780763619.db2.gz LUTBDEZUIZQEJF-YUMQZZPRSA-N 0 3 267.326 -1.258 20 0 CAADHN C[C@H](CNC(=O)Cn1ccnc1)N[C@@H](C)C(N)=O ZINC001265872865 780763660 /nfs/dbraw/zinc/76/36/60/780763660.db2.gz ILSLNIDQYUTWFP-BDAKNGLRSA-N 0 3 253.306 -1.149 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001265861385 780763679 /nfs/dbraw/zinc/76/36/79/780763679.db2.gz NOKDFCJEKYAZIM-MRVPVSSYSA-N 0 3 284.316 -2.024 20 0 CAADHN CN(C(=O)CC(N)=O)C1CCN(CCOCCO)CC1 ZINC001266179462 780771762 /nfs/dbraw/zinc/77/17/62/780771762.db2.gz CWBIYKYQRFHNMW-UHFFFAOYSA-N 0 3 287.360 -1.207 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1ccn(C)n1 ZINC001279457376 780772968 /nfs/dbraw/zinc/77/29/68/780772968.db2.gz IEXBKFGFXGLNEF-UHFFFAOYSA-N 0 3 283.332 -1.416 20 0 CAADHN CO[C@@H](C)C(=O)N(C)CCOCCN[C@H]1CCNC1=O ZINC001279393367 780773430 /nfs/dbraw/zinc/77/34/30/780773430.db2.gz RZYPKEATNBNLQJ-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NCCOCCN(C)C(=O)c1cn(C)cn1)C(N)=O ZINC001279401783 780773440 /nfs/dbraw/zinc/77/34/40/780773440.db2.gz HLCABIZDGUBIAM-SNVBAGLBSA-N 0 3 297.359 -1.028 20 0 CAADHN Cc1cnc(C(=O)N(C)CCOCCNCC(N)=O)cn1 ZINC001279375041 780773504 /nfs/dbraw/zinc/77/35/04/780773504.db2.gz CWRYTEYZUIOBCR-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN CCN1CCC[C@](CO)(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001279490296 780774083 /nfs/dbraw/zinc/77/40/83/780774083.db2.gz LPBJKSODBSDTAV-ZANVPECISA-N 0 3 298.343 -1.453 20 0 CAADHN COC[C@H](O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001279576653 780774614 /nfs/dbraw/zinc/77/46/14/780774614.db2.gz OYYLUSXFIIEFKI-GMTAPVOTSA-N 0 3 285.344 -1.456 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1CCCOC1 ZINC001279672698 780774741 /nfs/dbraw/zinc/77/47/41/780774741.db2.gz LRFOIHOQROXBHQ-NSHDSACASA-N 0 3 287.360 -1.431 20 0 CAADHN NC(=O)NC(=O)CNCCN(CCO)C(=O)C=C1CCC1 ZINC001279687913 780774784 /nfs/dbraw/zinc/77/47/84/780774784.db2.gz WGWTUJYAJWRSMQ-UHFFFAOYSA-N 0 3 298.343 -1.298 20 0 CAADHN CC(C)C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001279659976 780774885 /nfs/dbraw/zinc/77/48/85/780774885.db2.gz BCRLBMZWOPOWPK-SNVBAGLBSA-N 0 3 257.334 -1.059 20 0 CAADHN CO[C@@H](C)C(=O)N(CCO)CCNCC(=O)NC(N)=O ZINC001279667421 780775057 /nfs/dbraw/zinc/77/50/57/780775057.db2.gz PGOMAIZYASGYLE-QMMMGPOBSA-N 0 3 290.320 -2.373 20 0 CAADHN O=C(CNCCN(CCO)C(=O)C1CC1)N1CCOCC1 ZINC001279639626 780775140 /nfs/dbraw/zinc/77/51/40/780775140.db2.gz MPKVYITXIXUHGS-UHFFFAOYSA-N 0 3 299.371 -1.334 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)c1cnn(C)c1 ZINC001279654615 780775155 /nfs/dbraw/zinc/77/51/55/780775155.db2.gz JIHJYYXQMICRCP-UHFFFAOYSA-N 0 3 297.359 -1.420 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cnccn1 ZINC001279647250 780775215 /nfs/dbraw/zinc/77/52/15/780775215.db2.gz BLCCFICLXQADAB-UHFFFAOYSA-N 0 3 281.316 -1.753 20 0 CAADHN COC[C@H](O)CN1CC=C(CNC(=O)C(N)=O)CC1 ZINC001279628979 780775351 /nfs/dbraw/zinc/77/53/51/780775351.db2.gz RMYJRMRIGIUTGI-SNVBAGLBSA-N 0 3 271.317 -1.773 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NCC1=CCN(CCO)CC1 ZINC001279682004 780775550 /nfs/dbraw/zinc/77/55/50/780775550.db2.gz PMUJAPLNFUVWDO-UHFFFAOYSA-N 0 3 296.327 -1.721 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H]1CCCOC1 ZINC001279672697 780775753 /nfs/dbraw/zinc/77/57/53/780775753.db2.gz LRFOIHOQROXBHQ-LLVKDONJSA-N 0 3 287.360 -1.431 20 0 CAADHN COCC(=O)N(CCO)CCN[C@@H]1CCC(=O)NC1=O ZINC001279630568 780775815 /nfs/dbraw/zinc/77/58/15/780775815.db2.gz GBPQUOLBOIWKPI-SECBINFHSA-N 0 3 287.316 -2.152 20 0 CAADHN CN1CC[C@@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1=O ZINC001280449076 780781898 /nfs/dbraw/zinc/78/18/98/780781898.db2.gz ICHUQLGWKNVMEV-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CC[C@H](C(=O)NC[C@H](C)N(C)C(=O)C(N)=O)N(C)C ZINC001280520378 780782850 /nfs/dbraw/zinc/78/28/50/780782850.db2.gz UIJMZKIYWSHNSS-DTWKUNHWSA-N 0 3 272.349 -1.225 20 0 CAADHN CCCNC(=O)CNC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001280632775 780784918 /nfs/dbraw/zinc/78/49/18/780784918.db2.gz ZVFMHKHSXPKTGL-VIFPVBQESA-N 0 3 286.332 -2.185 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cnco2)CCO1 ZINC001280621507 780785184 /nfs/dbraw/zinc/78/51/84/780785184.db2.gz SRCNBDJEHROEKP-QMMMGPOBSA-N 0 3 268.273 -1.410 20 0 CAADHN C[C@H](NC(=O)C(N)=O)C1CN(C(=O)CN2CCCC2)C1 ZINC001280647539 780785435 /nfs/dbraw/zinc/78/54/35/780785435.db2.gz GWJFKPVZJHODQX-VIFPVBQESA-N 0 3 282.344 -1.469 20 0 CAADHN O=C(CCn1cnnn1)N1CCO[C@H](CNCCF)C1 ZINC001280650828 780786452 /nfs/dbraw/zinc/78/64/52/780786452.db2.gz ZWLJCNMKHJSSRR-SNVBAGLBSA-N 0 3 286.311 -1.150 20 0 CAADHN CC[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC001280772548 780787141 /nfs/dbraw/zinc/78/71/41/780787141.db2.gz IQVZHMFJSKWWSA-OPRDCNLKSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CN(C)C(=O)C(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001281043903 780791070 /nfs/dbraw/zinc/79/10/70/780791070.db2.gz AOPOYRRDTXIAPU-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(N)=O)N(C)C ZINC001281097231 780794088 /nfs/dbraw/zinc/79/40/88/780794088.db2.gz AEOYJIZCCCGTJT-IUCAKERBSA-N 0 3 288.348 -2.349 20 0 CAADHN CC(C)[C@@H](C(=O)NC[C@H](CO)NC(=O)C(N)=O)N(C)C ZINC001281097221 780794297 /nfs/dbraw/zinc/79/42/97/780794297.db2.gz AEOYJIZCCCGTJT-BDAKNGLRSA-N 0 3 288.348 -2.349 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001281100148 780795006 /nfs/dbraw/zinc/79/50/06/780795006.db2.gz OYVFZAOQDBVRNE-MRVPVSSYSA-N 0 3 274.321 -2.593 20 0 CAADHN COC[C@H](O)CN[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001281162705 780798399 /nfs/dbraw/zinc/79/83/99/780798399.db2.gz JEILQBIAGJFYJC-SKDRFNHKSA-N 0 3 289.332 -2.578 20 0 CAADHN CC[C@@H](NCC1(NC(=O)C(N)=O)CCOCC1)C(N)=O ZINC001281263926 780800435 /nfs/dbraw/zinc/80/04/35/780800435.db2.gz FIZLFZMUDUYRKI-MRVPVSSYSA-N 0 3 286.332 -2.009 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1NCCS(C)(=O)=O ZINC001281388354 780802386 /nfs/dbraw/zinc/80/23/86/780802386.db2.gz PTASMLMUKXGAAA-BDAKNGLRSA-N 0 3 291.373 -1.657 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cnon2)C[C@H]1C ZINC001281458834 780802796 /nfs/dbraw/zinc/80/27/96/780802796.db2.gz VQUIGINNIKPMOM-APPZFPTMSA-N 0 3 267.289 -1.134 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cnon2)C[C@@H]1C ZINC001281458836 780803179 /nfs/dbraw/zinc/80/31/79/780803179.db2.gz VQUIGINNIKPMOM-IONNQARKSA-N 0 3 267.289 -1.134 20 0 CAADHN COCCOCC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001281389151 780803208 /nfs/dbraw/zinc/80/32/08/780803208.db2.gz VSGPLDQLCLARRI-UWVGGRQHSA-N 0 3 273.333 -1.429 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001281799222 780807424 /nfs/dbraw/zinc/80/74/24/780807424.db2.gz AKCIRNUTBNVRCF-VIFPVBQESA-N 0 3 273.333 -1.814 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H]1CCCCN1C(=O)C(N)=O ZINC001281882005 780808876 /nfs/dbraw/zinc/80/88/76/780808876.db2.gz SPEQJPQCWKSGLV-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC(N)=O ZINC001282115592 780811774 /nfs/dbraw/zinc/81/17/74/780811774.db2.gz WRVOYYUIHRTYOU-HTQZYQBOSA-N 0 3 258.322 -1.519 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cc[n+]([O-])cc1 ZINC001282089384 780811981 /nfs/dbraw/zinc/81/19/81/780811981.db2.gz YPDREDDWZSZRTL-IUCAKERBSA-N 0 3 266.301 -1.098 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC(N)=O ZINC001282115594 780812227 /nfs/dbraw/zinc/81/22/27/780812227.db2.gz WRVOYYUIHRTYOU-JGVFFNPUSA-N 0 3 258.322 -1.519 20 0 CAADHN Cc1c(C(=O)N[C@H](C)[C@H](C)NCC(N)=O)nnn1C ZINC001282109410 780812632 /nfs/dbraw/zinc/81/26/32/780812632.db2.gz BUZYJVNYBPXHAC-NKWVEPMBSA-N 0 3 268.321 -1.295 20 0 CAADHN Cc1c(C(=O)N[C@@H](C)[C@@H](C)NCC(N)=O)nnn1C ZINC001282109413 780812740 /nfs/dbraw/zinc/81/27/40/780812740.db2.gz BUZYJVNYBPXHAC-RQJHMYQMSA-N 0 3 268.321 -1.295 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001282088233 780812806 /nfs/dbraw/zinc/81/28/06/780812806.db2.gz SOKMFKLBMFKAQS-GARJFASQSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001282184954 780812945 /nfs/dbraw/zinc/81/29/45/780812945.db2.gz LDKPKHRPDWZENM-BDAKNGLRSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](NC(=O)Cc1cnn(C)c1)[C@H](C)NCC(N)=O ZINC001282095344 780812968 /nfs/dbraw/zinc/81/29/68/780812968.db2.gz HATDKBGURLIMDO-DTWKUNHWSA-N 0 3 267.333 -1.069 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)Cc1cnn(C)c1 ZINC001282095346 780813126 /nfs/dbraw/zinc/81/31/26/780813126.db2.gz HATDKBGURLIMDO-RKDXNWHRSA-N 0 3 267.333 -1.069 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)N(C)CCN1C(=O)CNC1=O ZINC001282368332 780813797 /nfs/dbraw/zinc/81/37/97/780813797.db2.gz WHEKHDLMERJJRF-QMMMGPOBSA-N 0 3 299.331 -2.150 20 0 CAADHN COCCN(C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001282353127 780813932 /nfs/dbraw/zinc/81/39/32/780813932.db2.gz BGVVBVRSUSYDIR-SECBINFHSA-N 0 3 256.310 -1.244 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001282352649 780814038 /nfs/dbraw/zinc/81/40/38/780814038.db2.gz XZHNWYDZRKYEFP-ZJUUUORDSA-N 0 3 284.360 -1.083 20 0 CAADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H](C)NCC(N)=O)no1 ZINC001282227042 780814503 /nfs/dbraw/zinc/81/45/03/780814503.db2.gz FJCSXFKCDPTQLH-SFYZADRCSA-N 0 3 297.315 -1.110 20 0 CAADHN C[C@@H](NC(=O)CN1C(=O)CCC1=O)[C@H](C)NCC(N)=O ZINC001282231183 780814675 /nfs/dbraw/zinc/81/46/75/780814675.db2.gz VLNXDRFBIFHMIH-JGVFFNPUSA-N 0 3 284.316 -1.897 20 0 CAADHN Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)NCC(N)=O)no1 ZINC001282227041 780814761 /nfs/dbraw/zinc/81/47/61/780814761.db2.gz FJCSXFKCDPTQLH-JGVFFNPUSA-N 0 3 297.315 -1.110 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001282205450 780815058 /nfs/dbraw/zinc/81/50/58/780815058.db2.gz WRPQRNQKUNDFBN-BQBZGAKWSA-N 0 3 284.316 -1.993 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)CCO ZINC001282397285 780815623 /nfs/dbraw/zinc/81/56/23/780815623.db2.gz CMMWTHPTUJZSEQ-ZJUUUORDSA-N 0 3 257.334 -1.107 20 0 CAADHN COCCN(C)[C@@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001282402567 780816079 /nfs/dbraw/zinc/81/60/79/780816079.db2.gz OJMMJMWJDUJRCT-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CC(C)COC[C@H](O)CN(C)[C@@H](C)CNC(=O)C(N)=O ZINC001282448472 780816203 /nfs/dbraw/zinc/81/62/03/780816203.db2.gz CAVHPOLUVOYTJH-WDEREUQCSA-N 0 3 289.376 -1.058 20 0 CAADHN CC(C)COC[C@@H](O)CN(C)[C@H](C)CNC(=O)C(N)=O ZINC001282448470 780816523 /nfs/dbraw/zinc/81/65/23/780816523.db2.gz CAVHPOLUVOYTJH-MNOVXSKESA-N 0 3 289.376 -1.058 20 0 CAADHN C[C@@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C1CN(CCCO)C1 ZINC001282718181 780822550 /nfs/dbraw/zinc/82/25/50/780822550.db2.gz XAAWQCPLRCSWEK-SCZZXKLOSA-N 0 3 298.343 -1.597 20 0 CAADHN COC[C@H](O)CN1CC([C@@H](C)NC(=O)CC(N)=O)C1 ZINC001282700870 780822644 /nfs/dbraw/zinc/82/26/44/780822644.db2.gz PUQCGJOSZBALQT-PSASIEDQSA-N 0 3 273.333 -1.694 20 0 CAADHN COC[C@H](O)CN1CC([C@H](C)NC(=O)CC(N)=O)C1 ZINC001282700871 780823137 /nfs/dbraw/zinc/82/31/37/780823137.db2.gz PUQCGJOSZBALQT-WCBMZHEXSA-N 0 3 273.333 -1.694 20 0 CAADHN CCN1CC([C@@H](C)NC(=O)CN2C(=O)CNC2=O)C1 ZINC001282744285 780823589 /nfs/dbraw/zinc/82/35/89/780823589.db2.gz IPYWTUDXQFZGDL-MRVPVSSYSA-N 0 3 268.317 -1.005 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)CC(N)=O)[C@@H]2C1 ZINC001282844056 780824348 /nfs/dbraw/zinc/82/43/48/780824348.db2.gz GQAAQHBGIMBVRY-QEYWKRMJSA-N 0 3 282.344 -1.580 20 0 CAADHN CC(=O)N1CCO[C@H]([C@@H](C)NCCNS(C)(=O)=O)C1 ZINC001282895613 780827395 /nfs/dbraw/zinc/82/73/95/780827395.db2.gz OIDFONMYEADRQR-KOLCDFICSA-N 0 3 293.389 -1.239 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)CC(N)=O)N(C)C ZINC001282955115 780833915 /nfs/dbraw/zinc/83/39/15/780833915.db2.gz VEEZQMKSUSEDSU-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)[C@H](C)NC(N)=O)N(C)C ZINC001282986433 780837393 /nfs/dbraw/zinc/83/73/93/780837393.db2.gz RDKQPICAAXWJCQ-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001282992984 780838417 /nfs/dbraw/zinc/83/84/17/780838417.db2.gz VYDPDAPJGXGDKI-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001282992986 780838886 /nfs/dbraw/zinc/83/88/86/780838886.db2.gz VYDPDAPJGXGDKI-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CCNC1=O ZINC001283068115 780841740 /nfs/dbraw/zinc/84/17/40/780841740.db2.gz UZOCZFOLIJBSMC-SNVBAGLBSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)Cn1cncn1)N(C)C ZINC001283085391 780841427 /nfs/dbraw/zinc/84/14/27/780841427.db2.gz DMIITBDCQSITSS-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)C(N)=O ZINC001283135896 780844487 /nfs/dbraw/zinc/84/44/87/780844487.db2.gz SRNNJPBJIGXEOS-UHFFFAOYSA-N 0 3 253.262 -2.022 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001283135202 780844894 /nfs/dbraw/zinc/84/48/94/780844894.db2.gz LDYLUQIHJXIPCG-BDAKNGLRSA-N 0 3 293.327 -1.386 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001283159413 780845357 /nfs/dbraw/zinc/84/53/57/780845357.db2.gz ARKBNNGBBOAFKU-MXWKQRLJSA-N 0 3 296.371 -1.318 20 0 CAADHN CC[C@H](C(=O)NCCCNC(=O)CC(N)=O)N(C)C ZINC001283209884 780847595 /nfs/dbraw/zinc/84/75/95/780847595.db2.gz KQCPVECEZDOJFK-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001283336966 780849975 /nfs/dbraw/zinc/84/99/75/780849975.db2.gz NISVNYHXMWCTPX-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001283341953 780850059 /nfs/dbraw/zinc/85/00/59/780850059.db2.gz DYISYDOHTUJAGG-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CC(C)[C@H](C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1)N(C)C ZINC001283359590 780850134 /nfs/dbraw/zinc/85/01/34/780850134.db2.gz BEWAKKITOAHTGA-NXEZZACHSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@H]1CCCN1CC(=O)NCCCNC(=O)C(N)=O ZINC001283317966 780850144 /nfs/dbraw/zinc/85/01/44/780850144.db2.gz KYXBKGMVCMMONT-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CCCN(C)CC(=O)NCCCNC(=O)[C@H]1CNC(=O)N1 ZINC001283309000 780850515 /nfs/dbraw/zinc/85/05/15/780850515.db2.gz NFRIEUAIQFXEBL-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CCN1CC[C@H](N[C@@H](C)CN(C)C(=O)CC(N)=O)C1=O ZINC001283593139 780854141 /nfs/dbraw/zinc/85/41/41/780854141.db2.gz ZCMNZYNOGBYCRO-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN COCCOCC(=O)N(C)C[C@@H](C)N[C@@H]1CCNC1=O ZINC001283591030 780854242 /nfs/dbraw/zinc/85/42/42/780854242.db2.gz GTMFVXOPNDJZPR-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(C)nn1)NCC(N)=O ZINC001283605546 780854410 /nfs/dbraw/zinc/85/44/10/780854410.db2.gz GFDOOFHXBVRYHY-ZETCQYMHSA-N 0 3 254.294 -1.650 20 0 CAADHN CN(C(=O)c1cnon1)[C@H](CNCC(N)=O)C1CC1 ZINC001283542874 780854454 /nfs/dbraw/zinc/85/44/54/780854454.db2.gz DSIIXFJFUFEZAN-SECBINFHSA-N 0 3 267.289 -1.005 20 0 CAADHN C[C@H](CN(C)C(=O)CC(N)=O)NCC(=O)NCC1CC1 ZINC001283591493 780854593 /nfs/dbraw/zinc/85/45/93/780854593.db2.gz LKDOASNOCBDIIA-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN COCCOCC(=O)N(C)C[C@H](C)N[C@@H]1CCNC1=O ZINC001283591035 780854731 /nfs/dbraw/zinc/85/47/31/780854731.db2.gz GTMFVXOPNDJZPR-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CCN1CC[C@@H](N[C@H](C)CN(C)C(=O)CC(N)=O)C1=O ZINC001283593138 780854932 /nfs/dbraw/zinc/85/49/32/780854932.db2.gz ZCMNZYNOGBYCRO-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)C(N)=O ZINC001283532801 780855019 /nfs/dbraw/zinc/85/50/19/780855019.db2.gz PJODWSXOLOHTOJ-JTQLQIEISA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)NCC(N)=O ZINC001283650897 780856037 /nfs/dbraw/zinc/85/60/37/780856037.db2.gz AFISNEQDZKIKPL-WYOJIJJFSA-N 0 3 255.318 -1.199 20 0 CAADHN COC[C@H](OC)C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001283663843 780856044 /nfs/dbraw/zinc/85/60/44/780856044.db2.gz SAJPJRLONDSNQY-BDAKNGLRSA-N 0 3 261.322 -1.430 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C(C)(C)C(N)=O ZINC001283618260 780856093 /nfs/dbraw/zinc/85/60/93/780856093.db2.gz QSOYLYOKFOHOIZ-MRVPVSSYSA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@@H]1NC(=O)NC1=O)NCC(N)=O ZINC001283617946 780856224 /nfs/dbraw/zinc/85/62/24/780856224.db2.gz NQVXUQWLHJLASV-BQBZGAKWSA-N 0 3 285.304 -2.494 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001283665135 780857038 /nfs/dbraw/zinc/85/70/38/780857038.db2.gz RUPAAZMAPTZNQM-BDAKNGLRSA-N 0 3 284.360 -1.177 20 0 CAADHN CCC(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001283722820 780857199 /nfs/dbraw/zinc/85/71/99/780857199.db2.gz IKGMMPAWNGZHOL-SECBINFHSA-N 0 3 258.322 -1.512 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001283677252 780857273 /nfs/dbraw/zinc/85/72/73/780857273.db2.gz IRZUWJRLNOPRIU-NOZJJQNGSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(=O)NC[C@H](CO)NC[C@H]1CCS(=O)(=O)C1 ZINC001283722314 780857469 /nfs/dbraw/zinc/85/74/69/780857469.db2.gz GHOLCNSXSNBWRU-NXEZZACHSA-N 0 3 264.347 -1.492 20 0 CAADHN CCC(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001283722821 780857697 /nfs/dbraw/zinc/85/76/97/780857697.db2.gz IKGMMPAWNGZHOL-VIFPVBQESA-N 0 3 258.322 -1.512 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001283665136 780857703 /nfs/dbraw/zinc/85/77/03/780857703.db2.gz RUPAAZMAPTZNQM-DTWKUNHWSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(=O)NC[C@@H](CO)NCCN1C(=O)NC(C)(C)C1=O ZINC001283722825 780857726 /nfs/dbraw/zinc/85/77/26/780857726.db2.gz INDMAKVETCOAKC-VIFPVBQESA-N 0 3 286.332 -1.597 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001283725556 780857828 /nfs/dbraw/zinc/85/78/28/780857828.db2.gz XSVBRUNLDVBYJT-BDAKNGLRSA-N 0 3 298.343 -1.778 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnon1)N[C@@H]1CCC(=O)NC1=O ZINC001283689509 780857839 /nfs/dbraw/zinc/85/78/39/780857839.db2.gz BHUUAZOEZAAUNR-JGVFFNPUSA-N 0 3 295.299 -1.075 20 0 CAADHN CC(C)=CC(=O)NC[C@H](CO)NCCN1C(=O)CNC1=O ZINC001283734748 780859120 /nfs/dbraw/zinc/85/91/20/780859120.db2.gz XFYVANQCEQVENZ-SNVBAGLBSA-N 0 3 298.343 -1.429 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001283766116 780863129 /nfs/dbraw/zinc/86/31/29/780863129.db2.gz ZXIMPGACYAOGRT-QWRGUYRKSA-N 0 3 287.360 -1.384 20 0 CAADHN CCN(CCCNC(=O)C(N)=O)C(=O)[C@H]1CCCN1C ZINC001283756857 780863388 /nfs/dbraw/zinc/86/33/88/780863388.db2.gz YCSREKNRCDJGRW-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001283766115 780864007 /nfs/dbraw/zinc/86/40/07/780864007.db2.gz ZXIMPGACYAOGRT-MNOVXSKESA-N 0 3 287.360 -1.384 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCN[C@H](C)C(N)=O ZINC001135375628 781365369 /nfs/dbraw/zinc/36/53/69/781365369.db2.gz WJPOZHGCWJGMSG-SSDOTTSWSA-N 0 3 258.322 -1.519 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)C[C@H]2CCC(=O)N2)C1=O ZINC001135218742 781351528 /nfs/dbraw/zinc/35/15/28/781351528.db2.gz LCASYTUQPUXFCT-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)C[C@@H]2CCC(=O)N2)C1=O ZINC001135218744 781351570 /nfs/dbraw/zinc/35/15/70/781351570.db2.gz LCASYTUQPUXFCT-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NCCN[C@H]1CCC(=O)NC1=O ZINC001135218318 781351634 /nfs/dbraw/zinc/35/16/34/781351634.db2.gz GRIKWMNRVXINFD-BDAKNGLRSA-N 0 3 296.327 -1.834 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135218057 781351779 /nfs/dbraw/zinc/35/17/79/781351779.db2.gz CYJCLQMXLKPCPC-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NCCN[C@H]1CCC(=O)NC1=O ZINC001135218320 781351860 /nfs/dbraw/zinc/35/18/60/781351860.db2.gz GRIKWMNRVXINFD-IUCAKERBSA-N 0 3 296.327 -1.834 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCC(=O)N1)C(N)=O ZINC001135219818 781351953 /nfs/dbraw/zinc/35/19/53/781351953.db2.gz UAMCNZKTJCXGNK-HTQZYQBOSA-N 0 3 256.306 -1.765 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NCCN[C@@H]1CCNC1=O ZINC001135218835 781351970 /nfs/dbraw/zinc/35/19/70/781351970.db2.gz LUVIBVZYOWAMKK-DTWKUNHWSA-N 0 3 268.317 -1.751 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NCCN[C@@H]1CCCNC1=O ZINC001135219861 781351989 /nfs/dbraw/zinc/35/19/89/781351989.db2.gz URHPBDAEZNEJJP-VHSXEESVSA-N 0 3 282.344 -1.361 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135218030 781352067 /nfs/dbraw/zinc/35/20/67/781352067.db2.gz CLTCESRALMGJPA-MRVPVSSYSA-N 0 3 256.306 -1.893 20 0 CAADHN O=C(CCNC(=O)C1CCC1)NCCN[C@H]1CCNC1=O ZINC001135193940 781352092 /nfs/dbraw/zinc/35/20/92/781352092.db2.gz CSKCWNJIXYPZMQ-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135218059 781352136 /nfs/dbraw/zinc/35/21/36/781352136.db2.gz CYJCLQMXLKPCPC-IUCAKERBSA-N 0 3 270.333 -1.505 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135218724 781352231 /nfs/dbraw/zinc/35/22/31/781352231.db2.gz KLKLSYDPEJDIHH-SSDOTTSWSA-N 0 3 285.304 -2.444 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NCCN[C@@H]1CCCNC1=O ZINC001135219857 781352320 /nfs/dbraw/zinc/35/23/20/781352320.db2.gz URHPBDAEZNEJJP-NXEZZACHSA-N 0 3 282.344 -1.361 20 0 CAADHN CC(=O)N1CCCC[C@H]1CC(=O)NCCNCC(N)=O ZINC001135201498 781352339 /nfs/dbraw/zinc/35/23/39/781352339.db2.gz DADHYTCTXPEBNR-NSHDSACASA-N 0 3 284.360 -1.031 20 0 CAADHN C[C@@H](NCCNC(=O)CCNC(=O)C1CCC1)C(N)=O ZINC001135194680 781352397 /nfs/dbraw/zinc/35/23/97/781352397.db2.gz SQNNABZSFFIHEM-SECBINFHSA-N 0 3 284.360 -1.128 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NCCN[C@H]1CCNC1=O ZINC001135218834 781352926 /nfs/dbraw/zinc/35/29/26/781352926.db2.gz LUVIBVZYOWAMKK-BDAKNGLRSA-N 0 3 268.317 -1.751 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@H]2CCC(=O)N2)C1=O ZINC001135223624 781353400 /nfs/dbraw/zinc/35/34/00/781353400.db2.gz VIZPGFYCPXAYDR-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135223644 781353632 /nfs/dbraw/zinc/35/36/32/781353632.db2.gz WCKFDAGYRFEENH-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CCC(=O)N2)C1=O ZINC001135220159 781353712 /nfs/dbraw/zinc/35/37/12/781353712.db2.gz WSCQBALVCSYYAE-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@H]2CCC(=O)N2)C1=O ZINC001135223627 781353796 /nfs/dbraw/zinc/35/37/96/781353796.db2.gz VIZPGFYCPXAYDR-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)C[C@H]2CCC(=O)N2)C1=O ZINC001135220157 781354042 /nfs/dbraw/zinc/35/40/42/781354042.db2.gz WSCQBALVCSYYAE-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCC(=O)N1)C(=O)NC(N)=O ZINC001135231906 781354104 /nfs/dbraw/zinc/35/41/04/781354104.db2.gz QRJMTZFBAZFKQL-YUMQZZPRSA-N 0 3 299.331 -2.056 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NCCNCC(=O)N1CCCC1 ZINC001135223264 781354303 /nfs/dbraw/zinc/35/43/03/781354303.db2.gz PVZAUYKKJOQQQF-NSHDSACASA-N 0 3 296.371 -1.017 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCC(=O)N1)C(=O)NC(N)=O ZINC001135231903 781354323 /nfs/dbraw/zinc/35/43/23/781354323.db2.gz QRJMTZFBAZFKQL-HTQZYQBOSA-N 0 3 299.331 -2.056 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C1(C(=O)NC)CC1 ZINC001135259320 781354340 /nfs/dbraw/zinc/35/43/40/781354340.db2.gz ZPRSZILIVBVLSU-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)N2CCC2)CC1 ZINC001135257496 781354603 /nfs/dbraw/zinc/35/46/03/781354603.db2.gz XSMOFMZRDVTUDO-UHFFFAOYSA-N 0 3 282.344 -1.549 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc2nncn2c1 ZINC001135244415 781354944 /nfs/dbraw/zinc/35/49/44/781354944.db2.gz QXBKMWFKFCAKOQ-UHFFFAOYSA-N 0 3 276.300 -1.205 20 0 CAADHN CN(C(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001135222835 781355109 /nfs/dbraw/zinc/35/51/09/781355109.db2.gz MJVHTTFLXQXTQL-JTQLQIEISA-N 0 3 296.371 -1.018 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@@H]2CCC(=O)N2)C1=O ZINC001135223626 781355187 /nfs/dbraw/zinc/35/51/87/781355187.db2.gz VIZPGFYCPXAYDR-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H](C)C(=O)N(C)C)CC1 ZINC001135253979 781355545 /nfs/dbraw/zinc/35/55/45/781355545.db2.gz SFKDJXNASGPORL-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H]2CCNC2=O)CC1 ZINC001135250707 781355938 /nfs/dbraw/zinc/35/59/38/781355938.db2.gz VCFZOIZRVWPXOB-QMMMGPOBSA-N 0 3 268.317 -1.893 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(C(N)=O)s1 ZINC001135260368 781356060 /nfs/dbraw/zinc/35/60/60/781356060.db2.gz AYMOJKKVXIJMEW-UHFFFAOYSA-N 0 3 270.314 -1.348 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001135262896 781356198 /nfs/dbraw/zinc/35/61/98/781356198.db2.gz FOPAJCADDJYRJB-ZETCQYMHSA-N 0 3 299.331 -2.198 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC1 ZINC001135250022 781356431 /nfs/dbraw/zinc/35/64/31/781356431.db2.gz IWJDWJLONKWDOO-QMMMGPOBSA-N 0 3 296.327 -1.976 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1ccc2nncn2c1 ZINC001135247770 781356451 /nfs/dbraw/zinc/35/64/51/781356451.db2.gz UYFVDNNAELKXDY-SNVBAGLBSA-N 0 3 288.311 -1.063 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H](C)C(=O)NC2CC2)CC1 ZINC001135263099 781356652 /nfs/dbraw/zinc/35/66/52/781356652.db2.gz KOXQGRLODKMHRY-SECBINFHSA-N 0 3 296.371 -1.115 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C1(C(=O)NC)CC1 ZINC001135249977 781357250 /nfs/dbraw/zinc/35/72/50/781357250.db2.gz HLIAXGGHNOUYOC-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN Cn1ncc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001135283209 781357762 /nfs/dbraw/zinc/35/77/62/781357762.db2.gz OJHFXLSJAFZUTL-UHFFFAOYSA-N 0 3 269.265 -2.671 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)n1 ZINC001135284157 781357911 /nfs/dbraw/zinc/35/79/11/781357911.db2.gz FAZPVTVLNAKSFX-ZETCQYMHSA-N 0 3 280.288 -2.060 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@@H]2CCCNC2=O)n1 ZINC001135282931 781358281 /nfs/dbraw/zinc/35/82/81/781358281.db2.gz BAHCDYFIFOLZIP-MRVPVSSYSA-N 0 3 266.305 -1.587 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135268817 781358516 /nfs/dbraw/zinc/35/85/16/781358516.db2.gz HHXYEZMLVFPLAB-UHFFFAOYSA-N 0 3 298.343 -1.729 20 0 CAADHN C[C@@H](NCCNC(=O)C1CC(=O)NC(=O)C1)C(N)=O ZINC001135270511 781358653 /nfs/dbraw/zinc/35/86/53/781358653.db2.gz YHMFRRICRSLILV-ZCFIWIBFSA-N 0 3 270.289 -2.381 20 0 CAADHN C[C@H](NCCNC(=O)C1CC(=O)NC(=O)C1)C(N)=O ZINC001135270479 781358702 /nfs/dbraw/zinc/35/87/02/781358702.db2.gz YHMFRRICRSLILV-LURJTMIESA-N 0 3 270.289 -2.381 20 0 CAADHN Cn1ncc(C(=O)NCCNCC(=O)N2CCOCC2)n1 ZINC001135283354 781358951 /nfs/dbraw/zinc/35/89/51/781358951.db2.gz VKFXTFVCBUVGPH-UHFFFAOYSA-N 0 3 296.331 -2.007 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1cnn(C)n1 ZINC001135283292 781359016 /nfs/dbraw/zinc/35/90/16/781359016.db2.gz RPVKMWDHIGJFPA-UHFFFAOYSA-N 0 3 298.347 -1.713 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn(C)n1)C(=O)NC(N)=O ZINC001135286451 781359573 /nfs/dbraw/zinc/35/95/73/781359573.db2.gz BYBVTSRJVCHVQZ-LURJTMIESA-N 0 3 283.292 -2.282 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@H]2CCN(C)C2=O)n1 ZINC001135284406 781360033 /nfs/dbraw/zinc/36/00/33/781360033.db2.gz PAOQVBWSWPQDGF-QMMMGPOBSA-N 0 3 266.305 -1.635 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@@H]2CCN(C)C2=O)n1 ZINC001135284405 781360401 /nfs/dbraw/zinc/36/04/01/781360401.db2.gz PAOQVBWSWPQDGF-MRVPVSSYSA-N 0 3 266.305 -1.635 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn(C)n1)C(=O)NC(N)=O ZINC001135286452 781360430 /nfs/dbraw/zinc/36/04/30/781360430.db2.gz BYBVTSRJVCHVQZ-ZCFIWIBFSA-N 0 3 283.292 -2.282 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CCN2CCOCC2)C1=O ZINC001135340937 781362014 /nfs/dbraw/zinc/36/20/14/781362014.db2.gz LRTODTLCQHBNHW-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CCN2CCOCC2)C1=O ZINC001135340910 781362202 /nfs/dbraw/zinc/36/22/02/781362202.db2.gz LRTODTLCQHBNHW-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CNC(=O)CNCCNC(=O)CCN1CCOCC1 ZINC001135336947 781363147 /nfs/dbraw/zinc/36/31/47/781363147.db2.gz PTSARUDUJNBYFA-UHFFFAOYSA-N 0 3 272.349 -1.840 20 0 CAADHN C[C@@H](C[C@H](C)NC(=O)C(N)=O)NCC(=O)Nc1ccon1 ZINC001135353077 781363324 /nfs/dbraw/zinc/36/33/24/781363324.db2.gz BTCPSNDZXKJXLV-YUMQZZPRSA-N 0 3 297.315 -1.029 20 0 CAADHN CC(C)(C(=O)NCCNCC(N)=O)N1CCOCC1 ZINC001135347307 781363689 /nfs/dbraw/zinc/36/36/89/781363689.db2.gz YMJYTOZUECHYGE-UHFFFAOYSA-N 0 3 272.349 -1.712 20 0 CAADHN O=C(CCN1CCOCC1)NCCNCC(=O)NC1CC1 ZINC001135349859 781363984 /nfs/dbraw/zinc/36/39/84/781363984.db2.gz GIQMVCCFMOBNET-UHFFFAOYSA-N 0 3 298.387 -1.307 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCN1CCOCC1 ZINC001135349853 781364007 /nfs/dbraw/zinc/36/40/07/781364007.db2.gz GCYOJYPUQTWLGB-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCNCC(=O)NC(N)=O ZINC001135378644 781364520 /nfs/dbraw/zinc/36/45/20/781364520.db2.gz GEDINJOLZKCRLA-UHFFFAOYSA-N 0 3 287.320 -2.198 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001135375629 781364586 /nfs/dbraw/zinc/36/45/86/781364586.db2.gz WJPOZHGCWJGMSG-ZETCQYMHSA-N 0 3 258.322 -1.519 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(CNC(C)=O)o1 ZINC001135397495 781365219 /nfs/dbraw/zinc/36/52/19/781365219.db2.gz XDTNBKVQRPOFRT-UHFFFAOYSA-N 0 3 296.327 -1.019 20 0 CAADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)NCCNCCF ZINC001135385231 781365313 /nfs/dbraw/zinc/36/53/13/781365313.db2.gz UZMRYCSLSAVVTO-VIFPVBQESA-N 0 3 276.312 -1.568 20 0 CAADHN CC(=O)N[C@H](CCC(N)=O)C(=O)NCCNCCF ZINC001135385230 781365333 /nfs/dbraw/zinc/36/53/33/781365333.db2.gz UZMRYCSLSAVVTO-SECBINFHSA-N 0 3 276.312 -1.568 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCN[C@H]1CCNC1=O ZINC001135374476 781365476 /nfs/dbraw/zinc/36/54/76/781365476.db2.gz IKBZOUXAOKLGIH-VIFPVBQESA-N 0 3 270.333 -1.505 20 0 CAADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)NCCNCC(N)=O ZINC001135385157 781365540 /nfs/dbraw/zinc/36/55/40/781365540.db2.gz SJSYQMLUYZAOAR-QMMMGPOBSA-N 0 3 287.320 -3.052 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001135374508 781365674 /nfs/dbraw/zinc/36/56/74/781365674.db2.gz IZKAKFRAZMIVJK-VIFPVBQESA-N 0 3 298.343 -1.588 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCNCC(=O)N(C)C ZINC001135375772 781365715 /nfs/dbraw/zinc/36/57/15/781365715.db2.gz XSVHDSKCKKRRMW-UHFFFAOYSA-N 0 3 272.349 -1.305 20 0 CAADHN CC(C)CCC(=O)NCC(=O)NCCNCC(N)=O ZINC001135400755 781365778 /nfs/dbraw/zinc/36/57/78/781365778.db2.gz IVRBQIWLBPMYLR-UHFFFAOYSA-N 0 3 272.349 -1.270 20 0 CAADHN Cc1n[nH]c(C)c1C(=O)NCCNCC(=O)NC(N)=O ZINC001135425617 781366520 /nfs/dbraw/zinc/36/65/20/781366520.db2.gz JNTNZCJBILQTGZ-UHFFFAOYSA-N 0 3 282.304 -1.459 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1c(C)n[nH]c1C ZINC001135425625 781366903 /nfs/dbraw/zinc/36/69/03/781366903.db2.gz JPWAITLNICIRME-UHFFFAOYSA-N 0 3 296.331 -1.198 20 0 CAADHN CC[C@H](NCCNC(=O)CN1CC(=O)NC1=O)C(N)=O ZINC001135444050 781366978 /nfs/dbraw/zinc/36/69/78/781366978.db2.gz LRRZUHBTIONIEW-ZETCQYMHSA-N 0 3 285.304 -2.492 20 0 CAADHN CCn1nc(C(=O)NCCN[C@H](C)C(=O)NC)ccc1=O ZINC001135482459 781367803 /nfs/dbraw/zinc/36/78/03/781367803.db2.gz DCWWTKZLCVIDJS-SECBINFHSA-N 0 3 295.343 -1.283 20 0 CAADHN CCn1nc(C(=O)NCCN[C@@H](C)C(=O)NC)ccc1=O ZINC001135482460 781368817 /nfs/dbraw/zinc/36/88/17/781368817.db2.gz DCWWTKZLCVIDJS-VIFPVBQESA-N 0 3 295.343 -1.283 20 0 CAADHN CCn1nc(C(=O)NCCN[C@H](C)C(N)=O)ccc1=O ZINC001135482814 781368890 /nfs/dbraw/zinc/36/88/90/781368890.db2.gz KKBOVMVNOBVJIR-MRVPVSSYSA-N 0 3 281.316 -1.544 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NCCNCC(=O)N1CCC1 ZINC001135456526 781368910 /nfs/dbraw/zinc/36/89/10/781368910.db2.gz AEJTYXPUXYSQLQ-UHFFFAOYSA-N 0 3 297.315 -2.524 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NCCNC/C=C/Cl ZINC001135448224 781368950 /nfs/dbraw/zinc/36/89/50/781368950.db2.gz PXGOLVODEUVXSS-OWOJBTEDSA-N 0 3 274.708 -1.004 20 0 CAADHN CCn1nc(C(=O)NCCN[C@H]2CCNC2=O)ccc1=O ZINC001135482462 781369309 /nfs/dbraw/zinc/36/93/09/781369309.db2.gz DEBIVWUDIDXPMY-VIFPVBQESA-N 0 3 293.327 -1.529 20 0 CAADHN CCn1nncc1CNCCNC(=O)c1nnc[nH]1 ZINC001135520233 781369853 /nfs/dbraw/zinc/36/98/53/781369853.db2.gz IYTITXMKWKAJAB-UHFFFAOYSA-N 0 3 264.293 -1.064 20 0 CAADHN Cc1ncc(C(=O)NCCNCC(N)=O)c(C)n1 ZINC001135487709 781372418 /nfs/dbraw/zinc/37/24/18/781372418.db2.gz NSZARSCGFGDAIF-UHFFFAOYSA-N 0 3 251.290 -1.102 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccncn1 ZINC001135546061 781373343 /nfs/dbraw/zinc/37/33/43/781373343.db2.gz WPUCFNFENZRUNK-UHFFFAOYSA-N 0 3 280.288 -1.748 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1ccncn1 ZINC001135545425 781373473 /nfs/dbraw/zinc/37/34/73/781373473.db2.gz KRVBBSYDIUFTJO-MRVPVSSYSA-N 0 3 277.284 -1.399 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccncn1 ZINC001135539326 781373489 /nfs/dbraw/zinc/37/34/89/781373489.db2.gz QLJHXKSMLLEOHX-QMMMGPOBSA-N 0 3 251.290 -1.070 20 0 CAADHN CNC(=O)CNCCNC(=O)c1nc2ncccn2n1 ZINC001135550401 781373576 /nfs/dbraw/zinc/37/35/76/781373576.db2.gz HSXLPZNRSHWVQI-UHFFFAOYSA-N 0 3 277.288 -1.810 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1ccncn1 ZINC001135539460 781374259 /nfs/dbraw/zinc/37/42/59/781374259.db2.gz VZLRQXVHALGJGX-UHFFFAOYSA-N 0 3 287.345 -1.655 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1ncccn1)C(N)=O ZINC001135555989 781375316 /nfs/dbraw/zinc/37/53/16/781375316.db2.gz HHCYODLZHJKUQO-SECBINFHSA-N 0 3 265.317 -1.011 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1ncccn1 ZINC001135557207 781375457 /nfs/dbraw/zinc/37/54/57/781375457.db2.gz YXUWWTYBSOESRJ-UHFFFAOYSA-N 0 3 265.317 -1.139 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cnon2)C1=O ZINC001135567070 781375531 /nfs/dbraw/zinc/37/55/31/781375531.db2.gz FPNOTRGAYNKZSR-SSDOTTSWSA-N 0 3 253.262 -1.380 20 0 CAADHN C[C@H](NCCNC(=O)c1cnon1)C(=O)NC(N)=O ZINC001135582737 781375751 /nfs/dbraw/zinc/37/57/51/781375751.db2.gz STVPDZCIJIDUDC-YFKPBYRVSA-N 0 3 270.249 -2.028 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cnon1 ZINC001135562396 781375821 /nfs/dbraw/zinc/37/58/21/781375821.db2.gz FQNKLIZHWZDOIN-ZCFIWIBFSA-N 0 3 267.245 -1.806 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cnon1 ZINC001135567047 781375885 /nfs/dbraw/zinc/37/58/85/781375885.db2.gz DZRRRRCJAIYRHV-ZCFIWIBFSA-N 0 3 284.276 -1.767 20 0 CAADHN C[C@H](NCCNC(=O)CCc1ncccn1)C(N)=O ZINC001135555990 781375941 /nfs/dbraw/zinc/37/59/41/781375941.db2.gz HHCYODLZHJKUQO-VIFPVBQESA-N 0 3 265.317 -1.011 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)c1cnon1 ZINC001135566936 781376073 /nfs/dbraw/zinc/37/60/73/781376073.db2.gz BOIAPMTVFOTJDD-UHFFFAOYSA-N 0 3 291.333 -1.672 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc2ncccn2n1 ZINC001135584426 781376097 /nfs/dbraw/zinc/37/60/97/781376097.db2.gz GICNDEPTMHENNJ-UHFFFAOYSA-N 0 3 262.273 -1.466 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cnon1 ZINC001135567046 781376273 /nfs/dbraw/zinc/37/62/73/781376273.db2.gz DZRRRRCJAIYRHV-LURJTMIESA-N 0 3 284.276 -1.767 20 0 CAADHN NC(=O)CNCCNC(=O)CCc1ncccn1 ZINC001135557214 781376602 /nfs/dbraw/zinc/37/66/02/781376602.db2.gz ZDBXDXUTFZVFLL-UHFFFAOYSA-N 0 3 251.290 -1.400 20 0 CAADHN CCCNC(=O)NC(=O)CNCCNC(=O)c1cnon1 ZINC001135573376 781377008 /nfs/dbraw/zinc/37/70/08/781377008.db2.gz BBWKADYFFPHCMW-UHFFFAOYSA-N 0 3 298.303 -1.375 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cnon1 ZINC001135573487 781377026 /nfs/dbraw/zinc/37/70/26/781377026.db2.gz GILHLIYIBJXJLB-SSDOTTSWSA-N 0 3 298.303 -1.377 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1ncccn1 ZINC001135556305 781377147 /nfs/dbraw/zinc/37/71/47/781377147.db2.gz JYKYYMJJNYVLPE-UHFFFAOYSA-N 0 3 294.315 -1.690 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1cnon1 ZINC001135573881 781377191 /nfs/dbraw/zinc/37/71/91/781377191.db2.gz YFPXNAPGPLFWIR-UHFFFAOYSA-N 0 3 255.278 -1.133 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1ncccn1 ZINC001135602556 781377658 /nfs/dbraw/zinc/37/76/58/781377658.db2.gz VKRZELVNEUNUGU-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ncccn1 ZINC001135602188 781377721 /nfs/dbraw/zinc/37/77/21/781377721.db2.gz DSHJXQIONLDMFB-UHFFFAOYSA-N 0 3 266.261 -2.009 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc2ncccn2n1)C(N)=O ZINC001135584448 781377877 /nfs/dbraw/zinc/37/78/77/781377877.db2.gz HDHYVOFYYSLQSL-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN O=C(CNCCNC(=O)c1cccnn1)N1CCOCC1 ZINC001135640752 781378146 /nfs/dbraw/zinc/37/81/46/781378146.db2.gz BNPAGIMYEYKPFN-UHFFFAOYSA-N 0 3 293.327 -1.345 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cccnn1 ZINC001135640979 781378179 /nfs/dbraw/zinc/37/81/79/781378179.db2.gz JSYBVTBLLSOGND-UHFFFAOYSA-N 0 3 251.290 -1.068 20 0 CAADHN C[C@H](NCCNC(=O)c1cccnn1)C(=O)NC(N)=O ZINC001135631621 781378307 /nfs/dbraw/zinc/37/83/07/781378307.db2.gz CRMDSZUQTCKLAY-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN C[C@@H](NCCNC(=O)c1ncccn1)C(=O)NC(N)=O ZINC001135609683 781378384 /nfs/dbraw/zinc/37/83/84/781378384.db2.gz PUOBRUWGVIPPIF-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN O=C(CNCCNC(=O)c1cnon1)NC(=O)NC1CC1 ZINC001135577493 781378700 /nfs/dbraw/zinc/37/87/00/781378700.db2.gz UBNMDYQHCBWAOQ-UHFFFAOYSA-N 0 3 296.287 -1.623 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ncccn1 ZINC001135608348 781378709 /nfs/dbraw/zinc/37/87/09/781378709.db2.gz AAOBMYILNDZOKT-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN C[C@H](NCCNC(=O)c1ncccn1)C(=O)NC(N)=O ZINC001135609684 781378874 /nfs/dbraw/zinc/37/88/74/781378874.db2.gz PUOBRUWGVIPPIF-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN O=C(CCn1cnnn1)NCCN[C@H]1CCCNC1=O ZINC001135677348 781379331 /nfs/dbraw/zinc/37/93/31/781379331.db2.gz DIPSITHWXAEPON-VIFPVBQESA-N 0 3 281.320 -1.952 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cccnn1 ZINC001135641269 781379351 /nfs/dbraw/zinc/37/93/51/781379351.db2.gz QXYNMGMXYJOQHM-QMMMGPOBSA-N 0 3 277.284 -1.399 20 0 CAADHN O=C(CCn1cnnn1)NCCNCC(=O)NCC1CC1 ZINC001135677309 781379440 /nfs/dbraw/zinc/37/94/40/781379440.db2.gz BXXLDCXNSZXNGZ-UHFFFAOYSA-N 0 3 295.347 -1.705 20 0 CAADHN Cc1nc(C(=O)NCCNCC(=O)NC(N)=O)c(C)o1 ZINC001135672153 781379851 /nfs/dbraw/zinc/37/98/51/781379851.db2.gz IPZHWCDRRZGPGW-UHFFFAOYSA-N 0 3 283.288 -1.194 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135677485 781379959 /nfs/dbraw/zinc/37/99/59/781379959.db2.gz LIULZEXHFYQSAI-UHFFFAOYSA-N 0 3 297.363 -1.315 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135677571 781380427 /nfs/dbraw/zinc/38/04/27/781380427.db2.gz PABPSUGZAZIYTB-UHFFFAOYSA-N 0 3 269.309 -2.143 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CCn2cnnn2)C1=O ZINC001135681889 781381307 /nfs/dbraw/zinc/38/13/07/781381307.db2.gz XPLOHOFTWQFSAY-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CCCC[C@@H](NCCNC(=O)CCn1cnnn1)C(N)=O ZINC001135702933 781381618 /nfs/dbraw/zinc/38/16/18/781381618.db2.gz UVXFUEUBYLHXGH-SNVBAGLBSA-N 0 3 297.363 -1.187 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135681665 781381665 /nfs/dbraw/zinc/38/16/65/781381665.db2.gz OTKSVPCOTDWOFZ-UHFFFAOYSA-N 0 3 297.363 -1.459 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)CCn1cnnn1 ZINC001135703133 781381692 /nfs/dbraw/zinc/38/16/92/781381692.db2.gz XNUQOYNSAMKWGN-SNVBAGLBSA-N 0 3 297.363 -1.316 20 0 CAADHN O=C(CCn1cnnn1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001135681680 781381829 /nfs/dbraw/zinc/38/18/29/781381829.db2.gz PKJPXHFHKHHVLA-MRVPVSSYSA-N 0 3 295.303 -2.426 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CCn2cnnn2)C1=O ZINC001135681890 781382216 /nfs/dbraw/zinc/38/22/16/781382216.db2.gz XPLOHOFTWQFSAY-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cc1ncc[nH]1 ZINC001135756203 781382790 /nfs/dbraw/zinc/38/27/90/781382790.db2.gz XHNVQGVHBGUVGU-UHFFFAOYSA-N 0 3 253.306 -1.254 20 0 CAADHN CN1CC[C@H](NCCNC(=O)Cc2ncc[nH]2)C1=O ZINC001135758154 781382936 /nfs/dbraw/zinc/38/29/36/781382936.db2.gz ZROKXDBHHGFELZ-VIFPVBQESA-N 0 3 265.317 -1.111 20 0 CAADHN O=C(Cc1ncc[nH]1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001135757843 781382958 /nfs/dbraw/zinc/38/29/58/781382958.db2.gz RULSETZXWBYTEE-MRVPVSSYSA-N 0 3 279.300 -1.537 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cc1ncc[nH]1 ZINC001135754614 781383127 /nfs/dbraw/zinc/38/31/27/781383127.db2.gz FFWALBDDDBDAEY-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)Cc2ncc[nH]2)C1=O ZINC001135758153 781383553 /nfs/dbraw/zinc/38/35/53/781383553.db2.gz ZROKXDBHHGFELZ-SECBINFHSA-N 0 3 265.317 -1.111 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)Cc1ncc[nH]1 ZINC001135756194 781383857 /nfs/dbraw/zinc/38/38/57/781383857.db2.gz XAJVTVWKXHCRFE-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1ncc[nH]1)C(=O)NC(N)=O ZINC001135765979 781384263 /nfs/dbraw/zinc/38/42/63/781384263.db2.gz DMLHYJQNLJHTPR-SSDOTTSWSA-N 0 3 282.304 -1.759 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ncccc1F ZINC001135727516 781384380 /nfs/dbraw/zinc/38/43/80/781384380.db2.gz YSAYYFOHSNLRIN-UHFFFAOYSA-N 0 3 283.263 -1.265 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cc1ncc[nH]1 ZINC001135757689 781384425 /nfs/dbraw/zinc/38/44/25/781384425.db2.gz LTYCUHOTGAFINT-QMMMGPOBSA-N 0 3 253.306 -1.208 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CCOC1 ZINC001135780527 781384489 /nfs/dbraw/zinc/38/44/89/781384489.db2.gz DZSIUNHLZOQPJL-TVQRCGJNSA-N 0 3 283.328 -1.076 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCn1cccc1 ZINC001135737004 781384508 /nfs/dbraw/zinc/38/45/08/781384508.db2.gz XFXRYDGIHPGTRY-UHFFFAOYSA-N 0 3 281.316 -1.221 20 0 CAADHN C[C@]1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CCOC1 ZINC001135780526 781384686 /nfs/dbraw/zinc/38/46/86/781384686.db2.gz DZSIUNHLZOQPJL-RNCFNFMXSA-N 0 3 283.328 -1.076 20 0 CAADHN O=C(CNCCNC(=O)Cc1ncc[nH]1)NC1CC1 ZINC001135755069 781384700 /nfs/dbraw/zinc/38/47/00/781384700.db2.gz LSBZGKCNGXNHCY-UHFFFAOYSA-N 0 3 265.317 -1.063 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135809765 781385081 /nfs/dbraw/zinc/38/50/81/781385081.db2.gz LYSDSKVKXUFQIL-UHFFFAOYSA-N 0 3 281.316 -1.479 20 0 CAADHN C[C@H]1OCC[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001135782328 781385709 /nfs/dbraw/zinc/38/57/09/781385709.db2.gz AYPGFHZNZOVXFI-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H]1OCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001135787012 781385792 /nfs/dbraw/zinc/38/57/92/781385792.db2.gz XSJHJUBTIWWPMO-ZJUUUORDSA-N 0 3 293.389 -1.334 20 0 CAADHN C[C@@H]1OCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001135787010 781385902 /nfs/dbraw/zinc/38/59/02/781385902.db2.gz XSJHJUBTIWWPMO-UWVGGRQHSA-N 0 3 293.389 -1.334 20 0 CAADHN C[C@@]1(C(=O)NCCNCCNS(C)(=O)=O)CCOC1 ZINC001135801429 781385921 /nfs/dbraw/zinc/38/59/21/781385921.db2.gz LYKKIVNQSJUSJM-LLVKDONJSA-N 0 3 293.389 -1.332 20 0 CAADHN C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001135783793 781385950 /nfs/dbraw/zinc/38/59/50/781385950.db2.gz SULMFFCLAVGDRT-JGVFFNPUSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CCOC1)C(=O)NC(N)=O ZINC001135801760 781386370 /nfs/dbraw/zinc/38/63/70/781386370.db2.gz SZCSASCJMUEAAL-QPUJVOFHSA-N 0 3 286.332 -1.298 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NCCN[C@@H]2CCCNC2=O)c1 ZINC001135809678 781386417 /nfs/dbraw/zinc/38/64/17/781386417.db2.gz IXPYLJVYODMZQR-SECBINFHSA-N 0 3 293.327 -1.288 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCO[C@H]1C ZINC001135783042 781386430 /nfs/dbraw/zinc/38/64/30/781386430.db2.gz LKHKCRZZMZAOTB-IUCAKERBSA-N 0 3 286.332 -1.427 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001135895022 781386961 /nfs/dbraw/zinc/38/69/61/781386961.db2.gz CDNGTMJVKWFWFG-DTWKUNHWSA-N 0 3 282.348 -1.034 20 0 CAADHN Cc1cc(C)n(CC(=O)NCCNCC(N)=O)c(=O)n1 ZINC001135832780 781387042 /nfs/dbraw/zinc/38/70/42/781387042.db2.gz BOIUHNCLGGAZIN-UHFFFAOYSA-N 0 3 281.316 -1.949 20 0 CAADHN CCOCCn1cc(C(=O)NCCNCC(N)=O)cn1 ZINC001135906155 781387142 /nfs/dbraw/zinc/38/71/42/781387142.db2.gz SDLDSCFOSZMYML-UHFFFAOYSA-N 0 3 283.332 -1.276 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NCCNCC(=O)N2CCC2)c1 ZINC001135816073 781387366 /nfs/dbraw/zinc/38/73/66/781387366.db2.gz HMIXYUXMAATMLB-UHFFFAOYSA-N 0 3 293.327 -1.335 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NCCNCC(=O)NC2CC2)c1 ZINC001135815861 781387759 /nfs/dbraw/zinc/38/77/59/781387759.db2.gz BWJJRPBCXKLIHL-UHFFFAOYSA-N 0 3 293.327 -1.288 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001135895024 781387850 /nfs/dbraw/zinc/38/78/50/781387850.db2.gz CDNGTMJVKWFWFG-RKDXNWHRSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H]1C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CCO1 ZINC001135837077 781388063 /nfs/dbraw/zinc/38/80/63/781388063.db2.gz CWRQLZYGVRVXGV-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001135895023 781388249 /nfs/dbraw/zinc/38/82/49/781388249.db2.gz CDNGTMJVKWFWFG-IUCAKERBSA-N 0 3 282.348 -1.034 20 0 CAADHN COCCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090525517 781388404 /nfs/dbraw/zinc/38/84/04/781388404.db2.gz LNOMQFHQTTUKPV-MWLCHTKSSA-N 0 3 296.327 -1.419 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)NC(N)=O)CCCOC1 ZINC001135952120 781388905 /nfs/dbraw/zinc/38/89/05/781388905.db2.gz VVGIWEJVFOQSLV-LBPRGKRZSA-N 0 3 286.332 -1.296 20 0 CAADHN CC(C)n1cc(C(=O)NCCNCC(N)=O)nn1 ZINC001135981497 781388950 /nfs/dbraw/zinc/38/89/50/781388950.db2.gz NKTBDJAHAGLCAU-UHFFFAOYSA-N 0 3 254.294 -1.336 20 0 CAADHN CCCn1cc(C(=O)NCCN[C@H]2CCNC2=O)nn1 ZINC001135970833 781388977 /nfs/dbraw/zinc/38/89/77/781388977.db2.gz QDKKDFFVUGSIEA-VIFPVBQESA-N 0 3 280.332 -1.104 20 0 CAADHN CCCn1cc(C(=O)NCCN[C@H](C)C(N)=O)nn1 ZINC001135970830 781389360 /nfs/dbraw/zinc/38/93/60/781389360.db2.gz QCKUJDRWNRWWRM-MRVPVSSYSA-N 0 3 268.321 -1.119 20 0 CAADHN CC(C)n1cc(C(=O)NCCNCC(=O)NC(N)=O)nn1 ZINC001135981561 781389723 /nfs/dbraw/zinc/38/97/23/781389723.db2.gz QGGNFQHKLUTGEF-UHFFFAOYSA-N 0 3 297.319 -1.627 20 0 CAADHN NC(=O)CNCCNC(=O)c1cn(CC2CC2)nn1 ZINC001135965090 781390005 /nfs/dbraw/zinc/39/00/05/781390005.db2.gz AZLVAXWLOGVFIM-UHFFFAOYSA-N 0 3 266.305 -1.507 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)C(=O)NCC2CC2)C1=O ZINC001135907639 781390020 /nfs/dbraw/zinc/39/00/20/781390020.db2.gz YGGNOUGPJJHFHI-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NCCNC(=O)C(=O)NCC1CC1)C(N)=O ZINC001135907648 781390037 /nfs/dbraw/zinc/39/00/37/781390037.db2.gz YQQCMTPGZRBBDX-VIFPVBQESA-N 0 3 270.333 -1.518 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cn(CC2CC2)nn1 ZINC001135965301 781390192 /nfs/dbraw/zinc/39/01/92/781390192.db2.gz HCTKNIJHRRHTSF-JTQLQIEISA-N 0 3 292.343 -1.104 20 0 CAADHN NC(=O)CNCCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001136000369 781390677 /nfs/dbraw/zinc/39/06/77/781390677.db2.gz FIHGCHOZOJPKOZ-SECBINFHSA-N 0 3 296.331 -1.881 20 0 CAADHN CCn1cc(C(=O)NCCNCC(=O)NC(N)=O)nn1 ZINC001135994420 781390766 /nfs/dbraw/zinc/39/07/66/781390766.db2.gz STMVDWAOMNDDIZ-UHFFFAOYSA-N 0 3 283.292 -2.188 20 0 CAADHN CCn1cc(C(=O)NCCNCC(=O)N(C)C)nn1 ZINC001135994364 781390902 /nfs/dbraw/zinc/39/09/02/781390902.db2.gz QRKCKQPHNYIVMX-UHFFFAOYSA-N 0 3 268.321 -1.294 20 0 CAADHN NC(=O)CNCCNC(=O)c1cccc(-n2cncn2)n1 ZINC001136018903 781390934 /nfs/dbraw/zinc/39/09/34/781390934.db2.gz BKFPBRTWVBMCGD-UHFFFAOYSA-N 0 3 289.299 -1.533 20 0 CAADHN CCn1cc(C(=O)NCCNCC(=O)NC2CC2)nn1 ZINC001135994298 781391038 /nfs/dbraw/zinc/39/10/38/781391038.db2.gz NRYFALOHTWRCOE-UHFFFAOYSA-N 0 3 280.332 -1.104 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCn1cnccc1=O ZINC001136021771 781391107 /nfs/dbraw/zinc/39/11/07/781391107.db2.gz BHUJQIALZULWAU-UHFFFAOYSA-N 0 3 295.343 -1.525 20 0 CAADHN CCn1cc(C(=O)NCCNCC(=O)NC(=O)NC)nn1 ZINC001135994296 781391121 /nfs/dbraw/zinc/39/11/21/781391121.db2.gz NKPVFMHDDRKWEH-UHFFFAOYSA-N 0 3 297.319 -1.927 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(C(C)C)nn1 ZINC001135973073 781391825 /nfs/dbraw/zinc/39/18/25/781391825.db2.gz PSLKJYAOEVQGHF-UHFFFAOYSA-N 0 3 268.321 -1.076 20 0 CAADHN CCn1cc(C(=O)NCCNCC(=O)N2CCC2)nn1 ZINC001135996920 781391475 /nfs/dbraw/zinc/39/14/75/781391475.db2.gz WOZBPCUPEMXVCN-UHFFFAOYSA-N 0 3 280.332 -1.150 20 0 CAADHN CCn1cc(C(=O)NCCN[C@H]2CCNC2=O)nn1 ZINC001135994222 781391912 /nfs/dbraw/zinc/39/19/12/781391912.db2.gz KEXDTZNDIYDTFC-QMMMGPOBSA-N 0 3 266.305 -1.494 20 0 CAADHN C[C@@H](NCCNC(=O)CC(=O)NCC(F)(F)F)C(N)=O ZINC001136014236 781392601 /nfs/dbraw/zinc/39/26/01/781392601.db2.gz HUKXUMXYXYZHCZ-ZCFIWIBFSA-N 0 3 298.265 -1.365 20 0 CAADHN CC[C@H](NCCNC(=O)CCn1cnccc1=O)C(N)=O ZINC001136022126 781392722 /nfs/dbraw/zinc/39/27/22/781392722.db2.gz SBYLEXGLVXISPG-JTQLQIEISA-N 0 3 295.343 -1.397 20 0 CAADHN NC(=O)CNCCNC(=O)CCn1cnccc1=O ZINC001136022053 781392780 /nfs/dbraw/zinc/39/27/80/781392780.db2.gz PAMQRVBZZMSLMH-UHFFFAOYSA-N 0 3 267.289 -2.176 20 0 CAADHN Cc1nc2ccnn2cc1C(=O)NCCNCC(N)=O ZINC001136041727 781392947 /nfs/dbraw/zinc/39/29/47/781392947.db2.gz QDUQENPQKOZETJ-UHFFFAOYSA-N 0 3 276.300 -1.158 20 0 CAADHN COCc1nc(C(=O)NCCNCC(=O)NC(N)=O)co1 ZINC001136030515 781393062 /nfs/dbraw/zinc/39/30/62/781393062.db2.gz NEEVADBZJABNLQ-UHFFFAOYSA-N 0 3 299.287 -1.665 20 0 CAADHN NC(=O)CNCCNC(=O)CC(=O)NCC(F)(F)F ZINC001136015299 781393241 /nfs/dbraw/zinc/39/32/41/781393241.db2.gz VXXPNAXUHOMLCG-UHFFFAOYSA-N 0 3 284.238 -1.754 20 0 CAADHN C[C@H](NCCNC(=O)CC(=O)NCC(F)(F)F)C(N)=O ZINC001136014234 781393393 /nfs/dbraw/zinc/39/33/93/781393393.db2.gz HUKXUMXYXYZHCZ-LURJTMIESA-N 0 3 298.265 -1.365 20 0 CAADHN COC[C@@H](C)CC(=O)NCCNCCNS(C)(=O)=O ZINC001136122704 781394082 /nfs/dbraw/zinc/39/40/82/781394082.db2.gz CVEDJCSFRGQKBC-JTQLQIEISA-N 0 3 295.405 -1.086 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCn1cnccc1=O ZINC001136022283 781393654 /nfs/dbraw/zinc/39/36/54/781393654.db2.gz WGCSBPJATUODRB-JTQLQIEISA-N 0 3 295.343 -1.526 20 0 CAADHN O=C(CCn1cnccc1=O)NCCN[C@@H]1CCNC1=O ZINC001136022250 781393865 /nfs/dbraw/zinc/39/38/65/781393865.db2.gz UHKGNSICZBAOOJ-SNVBAGLBSA-N 0 3 293.327 -1.772 20 0 CAADHN COC[C@H](C)CC(=O)NCCNCCNS(C)(=O)=O ZINC001136122705 781394579 /nfs/dbraw/zinc/39/45/79/781394579.db2.gz CVEDJCSFRGQKBC-SNVBAGLBSA-N 0 3 295.405 -1.086 20 0 CAADHN Cn1cc(C(C)(C)C(=O)NCCNCC(N)=O)cn1 ZINC001136105677 781394980 /nfs/dbraw/zinc/39/49/80/781394980.db2.gz FAPOYXKXYNURAU-UHFFFAOYSA-N 0 3 267.333 -1.111 20 0 CAADHN COC[C@H](C)CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001136123342 781395174 /nfs/dbraw/zinc/39/51/74/781395174.db2.gz KVKCLFQWPXPAGD-BDAKNGLRSA-N 0 3 288.348 -1.052 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001090529582 781397021 /nfs/dbraw/zinc/39/70/21/781397021.db2.gz VRWDTSIDVNBNLB-GXSJLCMTSA-N 0 3 296.327 -1.683 20 0 CAADHN CC(C)=CCN1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090534791 781406118 /nfs/dbraw/zinc/40/61/18/781406118.db2.gz QGNVOZUMCVZRJF-UWVGGRQHSA-N 0 3 255.318 -1.011 20 0 CAADHN COCCN1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@H](O)C1 ZINC001090537890 781407958 /nfs/dbraw/zinc/40/79/58/781407958.db2.gz CZTRYDXRTZMERA-GXSJLCMTSA-N 0 3 298.343 -1.063 20 0 CAADHN NC(=O)CN1CC[C@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1 ZINC001090553823 781409659 /nfs/dbraw/zinc/40/96/59/781409659.db2.gz RWDCEYAYPWODEF-YUMQZZPRSA-N 0 3 285.279 -1.801 20 0 CAADHN O=C(Cc1c[nH]cn1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090599121 781410968 /nfs/dbraw/zinc/41/09/68/781410968.db2.gz DCQVVEHINMBDPI-NEPJUHHUSA-N 0 3 282.344 -1.114 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)Cc2cnc[nH]2)[C@H](O)C1 ZINC001090594949 781411458 /nfs/dbraw/zinc/41/14/58/781411458.db2.gz MKUSSGKNFRJXMT-GHMZBOCLSA-N 0 3 295.343 -1.750 20 0 CAADHN O=C(Cc1c[nH]cn1)N[C@H]1CCN(CCO)C[C@H]1O ZINC001090601478 781412135 /nfs/dbraw/zinc/41/21/35/781412135.db2.gz RSVVIZDCKGVBNA-WDEREUQCSA-N 0 3 268.317 -1.504 20 0 CAADHN O=C(Cc1c[nH]cn1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090599123 781412173 /nfs/dbraw/zinc/41/21/73/781412173.db2.gz DCQVVEHINMBDPI-RYUDHWBXSA-N 0 3 282.344 -1.114 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)Cc2cnc[nH]2)[C@H](O)C1 ZINC001090594954 781412203 /nfs/dbraw/zinc/41/22/03/781412203.db2.gz MKUSSGKNFRJXMT-WDEREUQCSA-N 0 3 295.343 -1.750 20 0 CAADHN CCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001090636340 781415309 /nfs/dbraw/zinc/41/53/09/781415309.db2.gz ACHJDNYDPKFZDO-ZJUUUORDSA-N 0 3 283.328 -1.390 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090645538 781416584 /nfs/dbraw/zinc/41/65/84/781416584.db2.gz SZVQUCQQEBYGQF-MWLCHTKSSA-N 0 3 283.332 -1.638 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 ZINC001090655953 781419156 /nfs/dbraw/zinc/41/91/56/781419156.db2.gz YAAYTZIYUUWYAM-RKDXNWHRSA-N 0 3 284.316 -1.891 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCN2CCOC2=O)CN1 ZINC001246241044 781421706 /nfs/dbraw/zinc/42/17/06/781421706.db2.gz VLXSLMSZDWBVLP-BDAKNGLRSA-N 0 3 257.290 -1.068 20 0 CAADHN Cc1nonc1CC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090690778 781421744 /nfs/dbraw/zinc/42/17/44/781421744.db2.gz UFVAVHVXGAUXLN-PWSUYJOCSA-N 0 3 298.343 -1.146 20 0 CAADHN O=C(Cc1ncc[nH]1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090678996 781421885 /nfs/dbraw/zinc/42/18/85/781421885.db2.gz KKDFQENWRWOIRH-MNOVXSKESA-N 0 3 282.344 -1.114 20 0 CAADHN CCn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)nn1 ZINC001090678498 781421909 /nfs/dbraw/zinc/42/19/09/781421909.db2.gz HOEDPDZMPUQGCJ-PWSUYJOCSA-N 0 3 297.359 -1.155 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCN2CCOC2=O)CN1 ZINC001246241045 781422566 /nfs/dbraw/zinc/42/25/66/781422566.db2.gz VLXSLMSZDWBVLP-IUCAKERBSA-N 0 3 257.290 -1.068 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC[C@H]2COCCN2C)CN1 ZINC001246267334 781424702 /nfs/dbraw/zinc/42/47/02/781424702.db2.gz RXFBZDLRYKYJGV-VWYCJHECSA-N 0 3 257.334 -1.190 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001090710709 781424992 /nfs/dbraw/zinc/42/49/92/781424992.db2.gz XWTKDRKJGLARAK-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC[C@@H]2COCCN2C)CN1 ZINC001246267324 781425430 /nfs/dbraw/zinc/42/54/30/781425430.db2.gz RXFBZDLRYKYJGV-MXWKQRLJSA-N 0 3 257.334 -1.190 20 0 CAADHN Cn1cncc1CC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090728449 781427252 /nfs/dbraw/zinc/42/72/52/781427252.db2.gz SCLGFUDSMCSBNJ-CHWSQXEVSA-N 0 3 296.371 -1.104 20 0 CAADHN Cn1cncc1CC(=O)N[C@H]1CCN(CCO)C[C@H]1O ZINC001090728462 781427377 /nfs/dbraw/zinc/42/73/77/781427377.db2.gz SIWWKKHKTVWFLE-NWDGAFQWSA-N 0 3 282.344 -1.494 20 0 CAADHN Cc1nc[nH]c1CC(=O)N[C@H]1CCN(CCO)C[C@H]1O ZINC001090765029 781428727 /nfs/dbraw/zinc/42/87/27/781428727.db2.gz USMFARQUPTZZQF-CMPLNLGQSA-N 0 3 282.344 -1.196 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001090769203 781428895 /nfs/dbraw/zinc/42/88/95/781428895.db2.gz CIINDDSDYBCLQE-QWRGUYRKSA-N 0 3 297.359 -1.538 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001090765155 781428905 /nfs/dbraw/zinc/42/89/05/781428905.db2.gz VSLDGDQROWPYLL-KOLCDFICSA-N 0 3 295.343 -1.703 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1CCN(CC(N)=O)C[C@H]1O ZINC001090765154 781428918 /nfs/dbraw/zinc/42/89/18/781428918.db2.gz VSLDGDQROWPYLL-GXSJLCMTSA-N 0 3 295.343 -1.703 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(CC(N)=O)C[C@H]1O ZINC001090765156 781428993 /nfs/dbraw/zinc/42/89/93/781428993.db2.gz VSLDGDQROWPYLL-MWLCHTKSSA-N 0 3 295.343 -1.703 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](O)C1 ZINC001090769201 781429184 /nfs/dbraw/zinc/42/91/84/781429184.db2.gz CIINDDSDYBCLQE-GHMZBOCLSA-N 0 3 297.359 -1.538 20 0 CAADHN Cc1nc[nH]c1CC(=O)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001090765033 781429674 /nfs/dbraw/zinc/42/96/74/781429674.db2.gz USMFARQUPTZZQF-JQWIXIFHSA-N 0 3 282.344 -1.196 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090786775 781430436 /nfs/dbraw/zinc/43/04/36/781430436.db2.gz INFJQJFJZQTQQO-WDEREUQCSA-N 0 3 283.332 -1.524 20 0 CAADHN COC(=O)[C@@H](N)CCN[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246335593 781430539 /nfs/dbraw/zinc/43/05/39/781430539.db2.gz RQRKVMARTRWPLJ-VGMNWLOBSA-N 0 3 259.306 -1.630 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090786774 781430550 /nfs/dbraw/zinc/43/05/50/781430550.db2.gz INFJQJFJZQTQQO-QWRGUYRKSA-N 0 3 283.332 -1.524 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090791684 781430829 /nfs/dbraw/zinc/43/08/29/781430829.db2.gz UWTOUHFLMLLZFS-VHSXEESVSA-N 0 3 253.306 -1.151 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001090792136 781433245 /nfs/dbraw/zinc/43/32/45/781433245.db2.gz CPXMHTICDYTFQI-UWVGGRQHSA-N 0 3 298.343 -1.548 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001090795421 781433554 /nfs/dbraw/zinc/43/35/54/781433554.db2.gz WRCNOIQVTLVXLY-IUCAKERBSA-N 0 3 284.316 -1.891 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001090795419 781433666 /nfs/dbraw/zinc/43/36/66/781433666.db2.gz WRCNOIQVTLVXLY-BDAKNGLRSA-N 0 3 284.316 -1.891 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](O)C1 ZINC001090806632 781434249 /nfs/dbraw/zinc/43/42/49/781434249.db2.gz VMQJUOTXDKIICS-ZJUUUORDSA-N 0 3 296.327 -1.329 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090832616 781435196 /nfs/dbraw/zinc/43/51/96/781435196.db2.gz FUSXTHMNJDXOMF-WCBMZHEXSA-N 0 3 296.331 -2.052 20 0 CAADHN Cn1ccc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090816597 781435601 /nfs/dbraw/zinc/43/56/01/781435601.db2.gz PRXNGLFOUHEANL-PWSUYJOCSA-N 0 3 282.344 -1.033 20 0 CAADHN O=C(CN1CCCC1)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001090816533 781435995 /nfs/dbraw/zinc/43/59/95/781435995.db2.gz PGABEIHHWWEMAQ-NEPJUHHUSA-N 0 3 271.361 -1.374 20 0 CAADHN Cn1ccc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090816599 781436124 /nfs/dbraw/zinc/43/61/24/781436124.db2.gz PRXNGLFOUHEANL-ZYHUDNBSSA-N 0 3 282.344 -1.033 20 0 CAADHN Cc1nonc1C(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090842580 781436779 /nfs/dbraw/zinc/43/67/79/781436779.db2.gz BXHVSSBPIJRUQI-NXEZZACHSA-N 0 3 284.316 -1.075 20 0 CAADHN O=C(Cn1ccnc1)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001090848403 781437549 /nfs/dbraw/zinc/43/75/49/781437549.db2.gz GCNFUHPCNXSELV-MNOVXSKESA-N 0 3 268.317 -1.573 20 0 CAADHN CC(=O)NCC1CC(NCC(=O)N2CCNC(=O)C2)C1 ZINC001090890388 781439440 /nfs/dbraw/zinc/43/94/40/781439440.db2.gz WTCDOGDPQJSGAC-UHFFFAOYSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160451600 781440611 /nfs/dbraw/zinc/44/06/11/781440611.db2.gz RLHNCZQBUGXHPC-RKDXNWHRSA-N 0 3 268.317 -2.336 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn(C)c1OC ZINC001149195817 781442134 /nfs/dbraw/zinc/44/21/34/781442134.db2.gz IUUVGYRQBKTTDC-UHFFFAOYSA-N 0 3 269.305 -1.506 20 0 CAADHN CN(CC(=O)NCCCc1c[n-][nH]c1=O)C(N)=[NH2+] ZINC001144141460 781444418 /nfs/dbraw/zinc/44/44/18/781444418.db2.gz AKJQDKWFWOWKBW-ZETCQYMHSA-N 0 3 254.294 -1.560 20 0 CAADHN Cc1noc([N-]C(=O)CN(C)C(N)=[NH2+])c1C(N)=O ZINC001144128697 781445339 /nfs/dbraw/zinc/44/53/39/781445339.db2.gz NNWKYCMMWTWIMI-UHFFFAOYSA-N 0 3 254.250 -1.154 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144333629 781449609 /nfs/dbraw/zinc/44/96/09/781449609.db2.gz UHZHXNMQEXNIDJ-IUCAKERBSA-N 0 3 284.316 -1.627 20 0 CAADHN Cc1nn(C)c(F)c1C(=O)NCCNCC(N)=O ZINC001149370183 781451776 /nfs/dbraw/zinc/45/17/76/781451776.db2.gz VINUXEKVJBPHLZ-UHFFFAOYSA-N 0 3 257.269 -1.328 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N(C)C[C@H]2CNCCO2)CN1 ZINC001246560187 781452392 /nfs/dbraw/zinc/45/23/92/781452392.db2.gz UXRVRNUVXUKLTL-MXWKQRLJSA-N 0 3 257.334 -1.190 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)CCCS(N)(=O)=O ZINC001144588792 781460656 /nfs/dbraw/zinc/46/06/56/781460656.db2.gz DJYLDVJKJOINPI-SNVBAGLBSA-N 0 3 293.389 -1.156 20 0 CAADHN CS(=O)(=O)NC1CN(C(=O)[C@@H]2C[C@@H](F)CCN2)C1 ZINC001160658043 781462751 /nfs/dbraw/zinc/46/27/51/781462751.db2.gz PFYHWCKEFDXSHW-CBAPKCEASA-N 0 3 279.337 -1.164 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@@H](N)C2CCC(O)CC2)CCO1 ZINC001160704444 781464086 /nfs/dbraw/zinc/46/40/86/781464086.db2.gz KXWDHIRALIVEKV-LXKPXOPUSA-N 0 3 285.344 -1.423 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](N2CC3(C2)CNCCO3)CN1 ZINC001246616482 781472495 /nfs/dbraw/zinc/47/24/95/781472495.db2.gz ARDONJCMRPSPCQ-QWRGUYRKSA-N 0 3 269.345 -1.046 20 0 CAADHN CN1CC[C@@H](CNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1 ZINC001144906403 781473730 /nfs/dbraw/zinc/47/37/30/781473730.db2.gz FBPKICHWWZFMOX-AXTSPUMRSA-N 0 3 290.316 -3.302 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144892576 781474584 /nfs/dbraw/zinc/47/45/84/781474584.db2.gz IZZVMUZNHBOFMM-OPRDCNLKSA-N 0 3 292.332 -2.912 20 0 CAADHN COC(=O)[C@H]1CNCCN1[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246623387 781477123 /nfs/dbraw/zinc/47/71/23/781477123.db2.gz QLPHTTVBTUCGGS-GARJFASQSA-N 0 3 285.344 -1.273 20 0 CAADHN NC(=O)CNCCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC001149114242 781480694 /nfs/dbraw/zinc/48/06/94/781480694.db2.gz YMZYJMZFLJZJHY-SECBINFHSA-N 0 3 270.333 -1.374 20 0 CAADHN C[C@H](NCCNC(=O)COCc1nncn1C)C(N)=O ZINC001146208466 781481687 /nfs/dbraw/zinc/48/16/87/781481687.db2.gz LZQILYJGDGMQOA-QMMMGPOBSA-N 0 3 284.320 -2.089 20 0 CAADHN CNC(=O)CNCCNC(=O)COCc1ncnn1C ZINC001146190811 781481856 /nfs/dbraw/zinc/48/18/56/781481856.db2.gz NCYXNPRLTPQQSL-UHFFFAOYSA-N 0 3 284.320 -2.217 20 0 CAADHN CCNC(=O)CNCCNC(=O)COCc1ncnn1C ZINC001146190748 781482209 /nfs/dbraw/zinc/48/22/09/781482209.db2.gz KUKHSKIXXVJXFQ-UHFFFAOYSA-N 0 3 298.347 -1.826 20 0 CAADHN Cn1ncnc1COCC(=O)NCCN[C@@H]1CCNC1=O ZINC001146191598 781482290 /nfs/dbraw/zinc/48/22/90/781482290.db2.gz XCFFHWNMNNJWNT-SECBINFHSA-N 0 3 296.331 -2.074 20 0 CAADHN Cn1cnnc1COCC(=O)NCCN[C@H]1CCNC1=O ZINC001146209522 781482301 /nfs/dbraw/zinc/48/23/01/781482301.db2.gz YYSYRGWJKOREMN-VIFPVBQESA-N 0 3 296.331 -2.074 20 0 CAADHN C[C@H](NCCNC(=O)COCc1ncnn1C)C(N)=O ZINC001146200717 781482593 /nfs/dbraw/zinc/48/25/93/781482593.db2.gz NRNYHLJZXYGQJX-QMMMGPOBSA-N 0 3 284.320 -2.089 20 0 CAADHN CC[C@@H](NCCNC(=O)Cc1nonc1C)C(N)=O ZINC001146243920 781483331 /nfs/dbraw/zinc/48/33/31/781483331.db2.gz BPEOHROZEAKAPF-MRVPVSSYSA-N 0 3 269.305 -1.110 20 0 CAADHN Cc1nonc1CC(=O)NCCN[C@H](C)C(N)=O ZINC001146239030 781483508 /nfs/dbraw/zinc/48/35/08/781483508.db2.gz NZXAXRBVKPJVOL-SSDOTTSWSA-N 0 3 255.278 -1.500 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cc1nonc1C ZINC001146238520 781483613 /nfs/dbraw/zinc/48/36/13/781483613.db2.gz JKPPTCLUWCTXQU-MRVPVSSYSA-N 0 3 269.305 -1.239 20 0 CAADHN Cc1nonc1CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001146239571 781483809 /nfs/dbraw/zinc/48/38/09/781483809.db2.gz WAIHOYMVUWOVGF-MRVPVSSYSA-N 0 3 295.299 -1.568 20 0 CAADHN Cc1nonc1CC(=O)NCCN[C@H]1CCNC1=O ZINC001146256220 781484297 /nfs/dbraw/zinc/48/42/97/781484297.db2.gz LTOCOVAXAAEJCV-QMMMGPOBSA-N 0 3 267.289 -1.485 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1[nH]cnc1C ZINC001149123134 781485399 /nfs/dbraw/zinc/48/53/99/781485399.db2.gz FSLIOZLZEKFHJE-UHFFFAOYSA-N 0 3 296.331 -1.578 20 0 CAADHN Cc1cnoc1C(=O)NCCNCC(=O)NC(N)=O ZINC001146490051 781485445 /nfs/dbraw/zinc/48/54/45/781485445.db2.gz VBIURTQHUPQEQI-UHFFFAOYSA-N 0 3 269.261 -1.503 20 0 CAADHN Cc1cc(=O)c(C(=O)NCCNCC(=O)NC(N)=O)c[nH]1 ZINC001146527522 781485569 /nfs/dbraw/zinc/48/55/69/781485569.db2.gz DHCVSMLUGTWLOE-UHFFFAOYSA-N 0 3 295.299 -1.802 20 0 CAADHN COc1ncc(C(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001146500666 781485897 /nfs/dbraw/zinc/48/58/97/781485897.db2.gz MQCIDOCWJBKMME-UHFFFAOYSA-N 0 3 296.287 -2.001 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1c[nH]nc1C1CC1 ZINC001146437175 781485955 /nfs/dbraw/zinc/48/59/55/781485955.db2.gz FHWLLFCIGZFHIK-UHFFFAOYSA-N 0 3 294.315 -1.199 20 0 CAADHN Cc1cc(=O)c(C(=O)NCCN[C@@H](C)C(N)=O)c[nH]1 ZINC001146550732 781485971 /nfs/dbraw/zinc/48/59/71/781485971.db2.gz UVNCDASGICBSCN-QMMMGPOBSA-N 0 3 266.301 -1.123 20 0 CAADHN CN1CCC[C@@H]2CN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C[C@@H]21 ZINC001146621327 781488361 /nfs/dbraw/zinc/48/83/61/781488361.db2.gz MBTAJOHRLINFAM-RHZHCTOVSA-N 0 3 296.367 -1.048 20 0 CAADHN CC[N@H+](C)CCC(=O)NCCNCc1nc(=O)n(C)[n-]1 ZINC001146719960 781490391 /nfs/dbraw/zinc/49/03/91/781490391.db2.gz YIMQEXSMFZOYSZ-UHFFFAOYSA-N 0 3 284.364 -1.344 20 0 CAADHN CC[N@@H+](C)CCC(=O)NCCNCc1nc(=O)n(C)[n-]1 ZINC001146719960 781490398 /nfs/dbraw/zinc/49/03/98/781490398.db2.gz YIMQEXSMFZOYSZ-UHFFFAOYSA-N 0 3 284.364 -1.344 20 0 CAADHN COc1ccc(C(=O)NCCNCC(N)=O)nn1 ZINC001146668159 781490552 /nfs/dbraw/zinc/49/05/52/781490552.db2.gz HMBSCCHENGROMG-UHFFFAOYSA-N 0 3 253.262 -1.710 20 0 CAADHN NC(=O)CNCCNC(=O)CCc1cnccn1 ZINC001146728179 781490568 /nfs/dbraw/zinc/49/05/68/781490568.db2.gz UOPSIEGOXVXKMP-UHFFFAOYSA-N 0 3 251.290 -1.400 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(OC)nn1 ZINC001146668461 781490794 /nfs/dbraw/zinc/49/07/94/781490794.db2.gz PFIJPMJKGHPFIL-UHFFFAOYSA-N 0 3 267.289 -1.449 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1cnccn1 ZINC001146727693 781491321 /nfs/dbraw/zinc/49/13/21/781491321.db2.gz LJCAQWNKTCVQIP-UHFFFAOYSA-N 0 3 294.315 -1.690 20 0 CAADHN C[C@H](NCCNC(=O)CCCn1cncn1)C(N)=O ZINC001146795800 781491809 /nfs/dbraw/zinc/49/18/09/781491809.db2.gz KMNNVPJQABYCSN-VIFPVBQESA-N 0 3 268.321 -1.362 20 0 CAADHN Cc1conc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001146849911 781492464 /nfs/dbraw/zinc/49/24/64/781492464.db2.gz ZSYFDOJIWZZOJJ-SSDOTTSWSA-N 0 3 283.288 -1.114 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1nocc1C ZINC001146838101 781492617 /nfs/dbraw/zinc/49/26/17/781492617.db2.gz HHXIEMWVRRKGQN-UHFFFAOYSA-N 0 3 283.288 -1.242 20 0 CAADHN Cc1conc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001146849912 781492747 /nfs/dbraw/zinc/49/27/47/781492747.db2.gz ZSYFDOJIWZZOJJ-ZETCQYMHSA-N 0 3 283.288 -1.114 20 0 CAADHN Cc1conc1C(=O)NCCNCCNS(C)(=O)=O ZINC001146848831 781492961 /nfs/dbraw/zinc/49/29/61/781492961.db2.gz KNRLPWFANDENAW-UHFFFAOYSA-N 0 3 290.345 -1.148 20 0 CAADHN C[C@@H](NCCNC(=O)CCCn1cncn1)C(N)=O ZINC001146795799 781492969 /nfs/dbraw/zinc/49/29/69/781492969.db2.gz KMNNVPJQABYCSN-SECBINFHSA-N 0 3 268.321 -1.362 20 0 CAADHN CCC(=O)N1CC[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001146901390 781493649 /nfs/dbraw/zinc/49/36/49/781493649.db2.gz CMPZKQQBILXQGJ-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCC(=O)N1CC[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001146901392 781493706 /nfs/dbraw/zinc/49/37/06/781493706.db2.gz CMPZKQQBILXQGJ-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NCCNC(=O)CN1CCC(=O)NC1=O)C(N)=O ZINC001146879251 781494062 /nfs/dbraw/zinc/49/40/62/781494062.db2.gz XTQSVKDRLJXMPN-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)NCCN[C@@H]1CCNC1=O ZINC001146877947 781494134 /nfs/dbraw/zinc/49/41/34/781494134.db2.gz CZVIYQKWEQYMBU-MRVPVSSYSA-N 0 3 297.315 -2.477 20 0 CAADHN CCC(=O)N1CC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001146901388 781494197 /nfs/dbraw/zinc/49/41/97/781494197.db2.gz CMPZKQQBILXQGJ-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCC(=O)N1CC[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001146903096 781494484 /nfs/dbraw/zinc/49/44/84/781494484.db2.gz RNPKSLUCTASFQY-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1CCC(=O)NC1=O ZINC001146879050 781494574 /nfs/dbraw/zinc/49/45/74/781494574.db2.gz SCYGUFQDGZGBEW-UHFFFAOYSA-N 0 3 299.331 -2.278 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1CCC(=O)NC1=O ZINC001146877936 781494595 /nfs/dbraw/zinc/49/45/95/781494595.db2.gz CPDMIVSLBFHHQY-UHFFFAOYSA-N 0 3 299.331 -2.230 20 0 CAADHN Cc1nc[nH]c1CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001149123522 781495250 /nfs/dbraw/zinc/49/52/50/781495250.db2.gz KNRLUDBMQPIHDV-SECBINFHSA-N 0 3 293.327 -1.228 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001146980048 781495607 /nfs/dbraw/zinc/49/56/07/781495607.db2.gz MZPDAHDRVIEOTC-SECBINFHSA-N 0 3 279.344 -1.034 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001146980048 781495611 /nfs/dbraw/zinc/49/56/11/781495611.db2.gz MZPDAHDRVIEOTC-SECBINFHSA-N 0 3 279.344 -1.034 20 0 CAADHN CC(=O)N1CC[C@@](C)(C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001146987478 781496040 /nfs/dbraw/zinc/49/60/40/781496040.db2.gz YTKQMRAQWNFMOU-NOZJJQNGSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)N1CC[C@](C)(C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001146987194 781496173 /nfs/dbraw/zinc/49/61/73/781496173.db2.gz WDKXXSUHKQTOLH-RISCZKNCSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(=O)N1CC[C@](C)(C(=O)NCCNCC(N)=O)C1 ZINC001146987169 781496254 /nfs/dbraw/zinc/49/62/54/781496254.db2.gz VVCPKXQIUMIIBQ-LBPRGKRZSA-N 0 3 270.333 -1.564 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC001147003839 781496944 /nfs/dbraw/zinc/49/69/44/781496944.db2.gz ONZAZOQADAWAQJ-BXKDBHETSA-N 0 3 255.318 -1.135 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC001147007756 781496969 /nfs/dbraw/zinc/49/69/69/781496969.db2.gz AHMWAUDPRXNHNM-ZANVPECISA-N 0 3 298.343 -1.426 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@]12CCOC2 ZINC001147007754 781497617 /nfs/dbraw/zinc/49/76/17/781497617.db2.gz AHMWAUDPRXNHNM-RNCFNFMXSA-N 0 3 298.343 -1.426 20 0 CAADHN Cc1cn2ccnc(C(=O)NCCNCC(N)=O)c2n1 ZINC001146998965 781498006 /nfs/dbraw/zinc/49/80/06/781498006.db2.gz OZZLNFMTPUEVMJ-UHFFFAOYSA-N 0 3 276.300 -1.158 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147016092 781498657 /nfs/dbraw/zinc/49/86/57/781498657.db2.gz QUURORSMAMYDTJ-VIFPVBQESA-N 0 3 296.331 -1.695 20 0 CAADHN C[C@H](NCCNC(=O)CC(=O)NCC1CC1)C(N)=O ZINC001147084496 781498672 /nfs/dbraw/zinc/49/86/72/781498672.db2.gz NHJLIINPJMTTOJ-QMMMGPOBSA-N 0 3 270.333 -1.518 20 0 CAADHN O=C(CC(=O)NCC1CC1)NCCN[C@@H]1CCNC1=O ZINC001147085329 781498865 /nfs/dbraw/zinc/49/88/65/781498865.db2.gz XCKNSAJJFTXRRW-SNVBAGLBSA-N 0 3 282.344 -1.503 20 0 CAADHN COCCC[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001147031896 781499025 /nfs/dbraw/zinc/49/90/25/781499025.db2.gz IVUHEBGLYTZNDI-SECBINFHSA-N 0 3 288.348 -1.050 20 0 CAADHN NC(=O)CNCCNC(=O)CC(=O)NCC1CC1 ZINC001147085360 781499174 /nfs/dbraw/zinc/49/91/74/781499174.db2.gz YGIBXRPMKMUXDI-UHFFFAOYSA-N 0 3 256.306 -1.906 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@]12CCOC2 ZINC001147011490 781499398 /nfs/dbraw/zinc/49/93/98/781499398.db2.gz XTRHAUWMLOOTLA-PELKAZGASA-N 0 3 284.316 -1.686 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn([C@@H]2CCOC2)nn1)C(N)=O ZINC001147015922 781499453 /nfs/dbraw/zinc/49/94/53/781499453.db2.gz PJISFRIRPBJBAR-RKDXNWHRSA-N 0 3 296.331 -1.567 20 0 CAADHN O=C(CC(=O)NCC1CC1)NCCN[C@H]1CCNC1=O ZINC001147085328 781499551 /nfs/dbraw/zinc/49/95/51/781499551.db2.gz XCKNSAJJFTXRRW-JTQLQIEISA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)NCCNCC(N)=O ZINC001147051789 781500567 /nfs/dbraw/zinc/50/05/67/781500567.db2.gz XKZCYYYKUASEHE-ZETCQYMHSA-N 0 3 298.307 -3.631 20 0 CAADHN CCNC(=O)CNCCNC(=O)COCCCOC ZINC001147061864 781501105 /nfs/dbraw/zinc/50/11/05/781501105.db2.gz JFCAUSVVLZBPFF-UHFFFAOYSA-N 0 3 275.349 -1.119 20 0 CAADHN COCCCOCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001147063763 781501154 /nfs/dbraw/zinc/50/11/54/781501154.db2.gz CXJOKQDXNUBSLJ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn(CCCOC)c1 ZINC001147056163 781501274 /nfs/dbraw/zinc/50/12/74/781501274.db2.gz NHJOEZQUYMHRQK-UHFFFAOYSA-N 0 3 297.359 -1.015 20 0 CAADHN C[C@H](NCCNC(=O)CCCCC(N)=O)C(N)=O ZINC001147118793 781501298 /nfs/dbraw/zinc/50/12/98/781501298.db2.gz BMAXUHKZNXIMLJ-QMMMGPOBSA-N 0 3 258.322 -1.388 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1[nH]cnc1C ZINC001149123538 781501325 /nfs/dbraw/zinc/50/13/25/781501325.db2.gz LGAQKPUUXIPBAB-UHFFFAOYSA-N 0 3 253.306 -1.288 20 0 CAADHN COCCCOCC(=O)NCCN[C@H](C)C(N)=O ZINC001147061833 781501437 /nfs/dbraw/zinc/50/14/37/781501437.db2.gz IHWFKFBXHQDPEZ-SECBINFHSA-N 0 3 261.322 -1.381 20 0 CAADHN CC[C@H](NCCNC(=O)C(=O)N1CC[C@@H](C)C1)C(N)=O ZINC001147195091 781501803 /nfs/dbraw/zinc/50/18/03/781501803.db2.gz CVXAYXJYYMYDOG-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](NCCNC(=O)CC(=O)NCC1CC1)C(N)=O ZINC001147092943 781502112 /nfs/dbraw/zinc/50/21/12/781502112.db2.gz PXYUJMCYLMUXQE-JTQLQIEISA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@H](NCCNC(=O)C(=O)N1CC[C@H](C)C1)C(N)=O ZINC001147195090 781502530 /nfs/dbraw/zinc/50/25/30/781502530.db2.gz CVXAYXJYYMYDOG-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CC(=O)NCC1CC1 ZINC001147092984 781502629 /nfs/dbraw/zinc/50/26/29/781502629.db2.gz RSHDTFASCVKMTD-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CC(=O)NCCNCC(=O)NC(N)=O)n1cccn1 ZINC001147103868 781502705 /nfs/dbraw/zinc/50/27/05/781502705.db2.gz MWOHIPDFWAPTPE-VIFPVBQESA-N 0 3 296.331 -1.265 20 0 CAADHN NC(=O)CCCCC(=O)NCCNCC(=O)N1CCC1 ZINC001147119347 781502999 /nfs/dbraw/zinc/50/29/99/781502999.db2.gz TWVDIYKMPJTXBO-UHFFFAOYSA-N 0 3 284.360 -1.030 20 0 CAADHN NC(=O)CCCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001147119169 781503138 /nfs/dbraw/zinc/50/31/38/781503138.db2.gz OQDHMFUGQIAKFB-SECBINFHSA-N 0 3 270.333 -1.374 20 0 CAADHN CC[C@H](NCCNC(=O)C(=O)N1CC[C@H](C)C1)C(N)=O ZINC001147195089 781503155 /nfs/dbraw/zinc/50/31/55/781503155.db2.gz CVXAYXJYYMYDOG-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H]([NH2+]CCNC(=O)Cc1nnc[n-]1)C(=O)NC1CC1 ZINC001147271345 781505433 /nfs/dbraw/zinc/50/54/33/781505433.db2.gz BSCIMCUHBRTNEO-QMMMGPOBSA-N 0 3 280.332 -1.280 20 0 CAADHN CC[C@H]([NH2+]CCNC(=O)Cc1nnc[n-]1)C(N)=O ZINC001147271916 781505729 /nfs/dbraw/zinc/50/57/29/781505729.db2.gz XMSSDJSMRIGSKD-ZETCQYMHSA-N 0 3 254.294 -1.683 20 0 CAADHN CCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nnc[n-]1 ZINC001147271493 781505498 /nfs/dbraw/zinc/50/54/98/781505498.db2.gz GJXCYJYQYKYHNG-SECBINFHSA-N 0 3 282.348 -1.032 20 0 CAADHN C[C@@H]([NH2+]CCNC(=O)Cc1nnc[n-]1)C(=O)NC1CC1 ZINC001147271344 781505514 /nfs/dbraw/zinc/50/55/14/781505514.db2.gz BSCIMCUHBRTNEO-MRVPVSSYSA-N 0 3 280.332 -1.280 20 0 CAADHN CN1CCC[C@H]([NH2+]CCNC(=O)Cc2nnc[n-]2)C1=O ZINC001147277263 781505528 /nfs/dbraw/zinc/50/55/28/781505528.db2.gz ATGMHZNKXNIXDB-VIFPVBQESA-N 0 3 280.332 -1.326 20 0 CAADHN CN1CCC[C@@H]([NH2+]CCNC(=O)Cc2nnc[n-]2)C1=O ZINC001147277261 781505636 /nfs/dbraw/zinc/50/56/36/781505636.db2.gz ATGMHZNKXNIXDB-SECBINFHSA-N 0 3 280.332 -1.326 20 0 CAADHN CC(=O)[C@H]1CCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161034203 781505920 /nfs/dbraw/zinc/50/59/20/781505920.db2.gz CMPBSSKKQUFSCD-WDEREUQCSA-N 0 3 267.329 -1.246 20 0 CAADHN C[C@H]([NH2+]CCNC(=O)Cc1nnc[n-]1)C(=O)NC(N)=O ZINC001147271617 781505977 /nfs/dbraw/zinc/50/59/77/781505977.db2.gz LBQLDKKNLRSHRJ-LURJTMIESA-N 0 3 283.292 -2.364 20 0 CAADHN CCN1CC[C@@H]([NH2+]CCNC(=O)Cc2nnc[n-]2)C1=O ZINC001147264931 781506248 /nfs/dbraw/zinc/50/62/48/781506248.db2.gz RRFHEEUALYWLRP-SECBINFHSA-N 0 3 280.332 -1.326 20 0 CAADHN C[C@H]([NH2+]CCNC(=O)Cc1nnc[n-]1)C(=O)N(C)C ZINC001147265335 781506446 /nfs/dbraw/zinc/50/64/46/781506446.db2.gz ZUGQIFXJELDFRR-QMMMGPOBSA-N 0 3 268.321 -1.470 20 0 CAADHN CC(=O)[C@H]1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161034202 781506614 /nfs/dbraw/zinc/50/66/14/781506614.db2.gz CMPBSSKKQUFSCD-QWRGUYRKSA-N 0 3 267.329 -1.246 20 0 CAADHN CN(C)C(=O)C1(C(=O)NCCN[C@H]2CCN(C)C2=O)CC1 ZINC001147313928 781507350 /nfs/dbraw/zinc/50/73/50/781507350.db2.gz HNSJPRIRNOSEPX-JTQLQIEISA-N 0 3 296.371 -1.209 20 0 CAADHN Cn1ccc(CNCCNC(=O)Cc2nnc[nH]2)n1 ZINC001147277853 781507474 /nfs/dbraw/zinc/50/74/74/781507474.db2.gz OAKPNYBEMDNCDT-UHFFFAOYSA-N 0 3 263.305 -1.013 20 0 CAADHN CC[C@@H](NCCNC(=O)C1(C(=O)N(C)C)CC1)C(N)=O ZINC001147314025 781507719 /nfs/dbraw/zinc/50/77/19/781507719.db2.gz LVPQQECPSPJRLT-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN O=C(Cc1nnc[n-]1)NCC[NH2+][C@@H]1CCCNC1=O ZINC001147278401 781507760 /nfs/dbraw/zinc/50/77/60/781507760.db2.gz ZOLUJGQFNWXWAT-MRVPVSSYSA-N 0 3 266.305 -1.668 20 0 CAADHN Cc1nc(C)n(CCCC(=O)NCCNCC(N)=O)n1 ZINC001147283511 781507800 /nfs/dbraw/zinc/50/78/00/781507800.db2.gz VCCZMVJWQZRGMG-UHFFFAOYSA-N 0 3 282.348 -1.134 20 0 CAADHN CC[C@H](NCCNC(=O)C1(C(=O)N(C)C)CC1)C(N)=O ZINC001147314026 781507813 /nfs/dbraw/zinc/50/78/13/781507813.db2.gz LVPQQECPSPJRLT-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NCCNC(=O)C1(C(=O)N(C)C)CC1)C(N)=O ZINC001147307305 781508135 /nfs/dbraw/zinc/50/81/35/781508135.db2.gz JJIHYMUZYXBRBE-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN NC(=O)N1CCCC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001147320968 781508610 /nfs/dbraw/zinc/50/86/10/781508610.db2.gz LBVHANVKUFEZLI-UWVGGRQHSA-N 0 3 297.359 -1.486 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCCN1C(N)=O)C(N)=O ZINC001147320993 781508634 /nfs/dbraw/zinc/50/86/34/781508634.db2.gz LPLGYVABMSWFRU-BDAKNGLRSA-N 0 3 285.348 -1.501 20 0 CAADHN NC(=O)N1CCCC[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001147320969 781508793 /nfs/dbraw/zinc/50/87/93/781508793.db2.gz LBVHANVKUFEZLI-VHSXEESVSA-N 0 3 297.359 -1.486 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147320794 781509193 /nfs/dbraw/zinc/50/91/93/781509193.db2.gz IYBVQJAFPFVKHD-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCCCN1C(N)=O)C(N)=O ZINC001147322007 781509222 /nfs/dbraw/zinc/50/92/22/781509222.db2.gz VBWIAHCFTGCNFW-ZJUUUORDSA-N 0 3 299.375 -1.111 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCCN1C(N)=O)C(N)=O ZINC001147320994 781509261 /nfs/dbraw/zinc/50/92/61/781509261.db2.gz LPLGYVABMSWFRU-DTWKUNHWSA-N 0 3 285.348 -1.501 20 0 CAADHN CC(=O)N[C@](C)(C(=O)NCCN[C@H]1CCNC1=O)C1CC1 ZINC001147458702 781509975 /nfs/dbraw/zinc/50/99/75/781509975.db2.gz MXJFUMCQBPFFCG-FZMZJTMJSA-N 0 3 296.371 -1.115 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CC(N3CCN(C)CC3)C2)CN1 ZINC001246930409 781510456 /nfs/dbraw/zinc/51/04/56/781510456.db2.gz ADZWMNBRHAGGEA-AAEUAGOBSA-N 0 3 282.388 -1.179 20 0 CAADHN CC(=O)N[C@@](C)(C(=O)NCCN[C@@H](C)C(N)=O)C1CC1 ZINC001147459709 781510499 /nfs/dbraw/zinc/51/04/99/781510499.db2.gz QOFSDLADYXNCMD-ISVAXAHUSA-N 0 3 284.360 -1.129 20 0 CAADHN CCn1cc(CC(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001147388089 781510936 /nfs/dbraw/zinc/51/09/36/781510936.db2.gz KRBQYEXWLMUGQT-UHFFFAOYSA-N 0 3 296.331 -1.654 20 0 CAADHN Cn1cc(C(=O)NCCNCC(N)=O)c(Cl)n1 ZINC001147489787 781511835 /nfs/dbraw/zinc/51/18/35/781511835.db2.gz FKNGYEADKPHAOW-UHFFFAOYSA-N 0 3 259.697 -1.122 20 0 CAADHN COCc1nocc1C(=O)NCCNCC(N)=O ZINC001147551666 781512741 /nfs/dbraw/zinc/51/27/41/781512741.db2.gz OOCBQNVUJYVWIZ-UHFFFAOYSA-N 0 3 256.262 -1.374 20 0 CAADHN CNC(=O)CNCCNC(=O)c1conc1COC ZINC001147550785 781513441 /nfs/dbraw/zinc/51/34/41/781513441.db2.gz AOZPVQRUYLBLRF-UHFFFAOYSA-N 0 3 270.289 -1.114 20 0 CAADHN CC(C)n1cc(C(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001147568731 781514168 /nfs/dbraw/zinc/51/41/68/781514168.db2.gz LOZYMHIXXXEPIF-UHFFFAOYSA-N 0 3 296.331 -1.022 20 0 CAADHN Cc1nc[nH]c1CC(=O)NCCN[C@H](C)C(N)=O ZINC001149124942 781514418 /nfs/dbraw/zinc/51/44/18/781514418.db2.gz YCKVQEYPSQYTKF-MRVPVSSYSA-N 0 3 253.306 -1.160 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NCCN[C@H]1CCNC1=O ZINC001149433380 781514455 /nfs/dbraw/zinc/51/44/55/781514455.db2.gz RWEMRYJVFACEOH-QMMMGPOBSA-N 0 3 292.361 -2.528 20 0 CAADHN Cn1nc2c(c1C(=O)NCCNCC(N)=O)CCC2 ZINC001147628444 781514806 /nfs/dbraw/zinc/51/48/06/781514806.db2.gz MQAVZWQXXYMBLO-UHFFFAOYSA-N 0 3 265.317 -1.287 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147645231 781514970 /nfs/dbraw/zinc/51/49/70/781514970.db2.gz SJOPAIQKZCODMU-UHFFFAOYSA-N 0 3 299.331 -2.278 20 0 CAADHN CN1CCC(CO)(NC(=O)c2c[nH]c(=O)cn2)CC1 ZINC001147633694 781515034 /nfs/dbraw/zinc/51/50/34/781515034.db2.gz VSXFLMVNZAOPHA-UHFFFAOYSA-N 0 3 266.301 -1.044 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCCCN(C)C1=O ZINC001147634388 781515171 /nfs/dbraw/zinc/51/51/71/781515171.db2.gz JXATVXPOWNRNEZ-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CN1CCCC[C@H](C(=O)NCCNCC(N)=O)C1=O ZINC001147634303 781515317 /nfs/dbraw/zinc/51/53/17/781515317.db2.gz HSXJTJZWRQRWBC-SECBINFHSA-N 0 3 270.333 -1.564 20 0 CAADHN CN1C(=O)CN(CC(=O)NCCNCC(N)=O)C1=O ZINC001147645443 781515421 /nfs/dbraw/zinc/51/54/21/781515421.db2.gz VDFPOQUDZWIQOK-UHFFFAOYSA-N 0 3 271.277 -2.929 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147645434 781515568 /nfs/dbraw/zinc/51/55/68/781515568.db2.gz UXGUIXNKHXKEAW-UHFFFAOYSA-N 0 3 299.331 -2.326 20 0 CAADHN CN1CCCC[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1=O ZINC001147633967 781515586 /nfs/dbraw/zinc/51/55/86/781515586.db2.gz CCDJLEOHJOBBQZ-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN Cc1nc2nccc(C(=O)NCCN[C@@H](C)C(N)=O)n2n1 ZINC001147644013 781515668 /nfs/dbraw/zinc/51/56/68/781515668.db2.gz DGRZNFRRMFIUSN-ZETCQYMHSA-N 0 3 291.315 -1.374 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCCCN(C)C1=O ZINC001147634387 781515825 /nfs/dbraw/zinc/51/58/25/781515825.db2.gz JXATVXPOWNRNEZ-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@@H](C)C(N)=O)N1CCCC1=O ZINC001147606573 781515891 /nfs/dbraw/zinc/51/58/91/781515891.db2.gz OTOQSVFNMFBPMG-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CC(=O)NCCN[C@H](C)C(N)=O)N1CCCC1=O ZINC001147606572 781515937 /nfs/dbraw/zinc/51/59/37/781515937.db2.gz OTOQSVFNMFBPMG-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@@H]1CCNC1=O)N1CCCC1=O ZINC001147606852 781516113 /nfs/dbraw/zinc/51/61/13/781516113.db2.gz QOKVYCNDDPBOKV-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccn2c1n[nH]c2=O)C(N)=O ZINC001147664609 781516665 /nfs/dbraw/zinc/51/66/65/781516665.db2.gz JJAXIUBAUFREQT-SSDOTTSWSA-N 0 3 292.299 -1.372 20 0 CAADHN CS(=O)(=O)N(CC[NH3+])C(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC001147689562 781516886 /nfs/dbraw/zinc/51/68/86/781516886.db2.gz VVZZBYSEJJLFKH-UHFFFAOYSA-N 0 3 276.274 -1.752 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099888309 781517043 /nfs/dbraw/zinc/51/70/43/781517043.db2.gz SLJVBSAPMLQBAI-ZJUUUORDSA-N 0 3 287.360 -1.304 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)c1nccnc1C(N)=O ZINC001147754279 781520920 /nfs/dbraw/zinc/52/09/20/781520920.db2.gz ZZRGIGSXUWSIBS-SECBINFHSA-N 0 3 293.327 -1.022 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CC[C@@]3(C2)CNCCO3)CN1 ZINC001246988405 781521542 /nfs/dbraw/zinc/52/15/42/781521542.db2.gz PWVQMKPJOXTXSA-GVXVVHGQSA-N 0 3 269.345 -1.046 20 0 CAADHN CN1CCC(CO)(NC(=O)c2nccnc2C(N)=O)CC1 ZINC001147765162 781522077 /nfs/dbraw/zinc/52/20/77/781522077.db2.gz KKIKYGVZUMYLLY-UHFFFAOYSA-N 0 3 293.327 -1.238 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C(N)=O ZINC001147786463 781523038 /nfs/dbraw/zinc/52/30/38/781523038.db2.gz FHXOYTOLIPMJJP-HTQZYQBOSA-N 0 3 287.364 -1.351 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C)C(N)=O ZINC001147786464 781523071 /nfs/dbraw/zinc/52/30/71/781523071.db2.gz FHXOYTOLIPMJJP-JGVFFNPUSA-N 0 3 287.364 -1.351 20 0 CAADHN O=C(c1cn[nH]n1)N1CC2(C1)CCN(CCOCCO)C2 ZINC001147846697 781523454 /nfs/dbraw/zinc/52/34/54/781523454.db2.gz KMVYYDWUSMBTKD-UHFFFAOYSA-N 0 3 295.343 -1.039 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CC[C@@]3(C2)CNCCO3)CN1 ZINC001246988408 781523597 /nfs/dbraw/zinc/52/35/97/781523597.db2.gz PWVQMKPJOXTXSA-MDZLAQPJSA-N 0 3 269.345 -1.046 20 0 CAADHN Cn1cncc1CC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001147877546 781524229 /nfs/dbraw/zinc/52/42/29/781524229.db2.gz LFYSNDUAEBSALB-LLVKDONJSA-N 0 3 279.344 -1.101 20 0 CAADHN Cn1cncc1CC(=O)NCCNCC(=O)NC(N)=O ZINC001147871793 781524298 /nfs/dbraw/zinc/52/42/98/781524298.db2.gz MBIAFIQOVJGKOI-UHFFFAOYSA-N 0 3 282.304 -2.137 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1cncn1C)C(N)=O ZINC001147871849 781524383 /nfs/dbraw/zinc/52/43/83/781524383.db2.gz OUVIPXAQPMFAJD-MRVPVSSYSA-N 0 3 253.306 -1.458 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081429 781525105 /nfs/dbraw/zinc/52/51/05/781525105.db2.gz JXHLLAHKWVBAJN-JTQLQIEISA-N 0 3 292.343 -1.047 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081429 781525108 /nfs/dbraw/zinc/52/51/08/781525108.db2.gz JXHLLAHKWVBAJN-JTQLQIEISA-N 0 3 292.343 -1.047 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cc1cncn1C ZINC001147877237 781525350 /nfs/dbraw/zinc/52/53/50/781525350.db2.gz HQVGXBMFMFQIAW-VIFPVBQESA-N 0 3 267.333 -1.197 20 0 CAADHN CC[C@H](NCCNC(=O)Cc1cncn1C)C(N)=O ZINC001147877241 781525362 /nfs/dbraw/zinc/52/53/62/781525362.db2.gz HUDHLBNVVWSLJI-JTQLQIEISA-N 0 3 267.333 -1.068 20 0 CAADHN Cn1cncc1CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001147871654 781525377 /nfs/dbraw/zinc/52/53/77/781525377.db2.gz GYIJVTDZDPXTFD-SNVBAGLBSA-N 0 3 293.327 -1.526 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cc1cncn1C ZINC001147877236 781525391 /nfs/dbraw/zinc/52/53/91/781525391.db2.gz HQVGXBMFMFQIAW-SECBINFHSA-N 0 3 267.333 -1.197 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1cncn1C)C(=O)NC(N)=O ZINC001147915905 781525544 /nfs/dbraw/zinc/52/55/44/781525544.db2.gz PTOANIISWMZYNE-MRVPVSSYSA-N 0 3 296.331 -1.748 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)C23CC[NH+](CC2)C3)nc1=O ZINC001147970227 781525570 /nfs/dbraw/zinc/52/55/70/781525570.db2.gz CDDPFAPKFFJCNF-UHFFFAOYSA-N 0 3 294.359 -1.590 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)C[C@H]2CC[N@H+](C)C2)nc1=O ZINC001147877739 781525675 /nfs/dbraw/zinc/52/56/75/781525675.db2.gz OEMGNYVQCBYSFP-SNVBAGLBSA-N 0 3 296.375 -1.344 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)C[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001147877739 781525679 /nfs/dbraw/zinc/52/56/79/781525679.db2.gz OEMGNYVQCBYSFP-SNVBAGLBSA-N 0 3 296.375 -1.344 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccc(N(C)C)nn1 ZINC001148120890 781526282 /nfs/dbraw/zinc/52/62/82/781526282.db2.gz FBCHMEIWWBUZFI-UHFFFAOYSA-N 0 3 294.359 -1.050 20 0 CAADHN CCc1nc[nH]c1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001149441805 781526522 /nfs/dbraw/zinc/52/65/22/781526522.db2.gz RNRMRMYUKWJXJJ-ZETCQYMHSA-N 0 3 296.331 -1.125 20 0 CAADHN CCn1cnc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)c1 ZINC001148044703 781527053 /nfs/dbraw/zinc/52/70/53/781527053.db2.gz VEJOWDYXLOYHKD-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(N(C)C)nn1)C(N)=O ZINC001148121946 781527103 /nfs/dbraw/zinc/52/71/03/781527103.db2.gz PNWUPWNSGHFYEU-QMMMGPOBSA-N 0 3 280.332 -1.264 20 0 CAADHN CCn1cnc(C(=O)NCCNCC(=O)NC(=O)NC)c1 ZINC001148033586 781527154 /nfs/dbraw/zinc/52/71/54/781527154.db2.gz WQCGMTRAJJIQES-UHFFFAOYSA-N 0 3 296.331 -1.322 20 0 CAADHN CCn1cnc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)c1 ZINC001148044704 781527310 /nfs/dbraw/zinc/52/73/10/781527310.db2.gz VEJOWDYXLOYHKD-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(N(C)C)nn1)C(N)=O ZINC001148121945 781527424 /nfs/dbraw/zinc/52/74/24/781527424.db2.gz PNWUPWNSGHFYEU-MRVPVSSYSA-N 0 3 280.332 -1.264 20 0 CAADHN CCNC(=O)CCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001148190839 781527914 /nfs/dbraw/zinc/52/79/14/781527914.db2.gz FZSSEHKWIDMZKP-SNVBAGLBSA-N 0 3 284.360 -1.113 20 0 CAADHN CNC(=O)CNCCNC(=O)CCCC(=O)N(C)C ZINC001148198770 781528544 /nfs/dbraw/zinc/52/85/44/781528544.db2.gz VZXDHKYGXVZNCV-UHFFFAOYSA-N 0 3 272.349 -1.303 20 0 CAADHN CCNC(=O)CCCC(=O)NCCN[C@H]1CCNC1=O ZINC001148190838 781528587 /nfs/dbraw/zinc/52/85/87/781528587.db2.gz FZSSEHKWIDMZKP-JTQLQIEISA-N 0 3 284.360 -1.113 20 0 CAADHN COCCOCCN1CCC2(CN(C(=O)C(N)=O)C2)C1 ZINC001148199562 781528626 /nfs/dbraw/zinc/52/86/26/781528626.db2.gz KAXSYDDNURHKCK-UHFFFAOYSA-N 0 3 285.344 -1.331 20 0 CAADHN CCCNC(=O)CCC(=O)NCCNCC(=O)NC ZINC001148199040 781528655 /nfs/dbraw/zinc/52/86/55/781528655.db2.gz YBVQLMKJQYYGOR-UHFFFAOYSA-N 0 3 272.349 -1.255 20 0 CAADHN CCCNC(=O)CCC(=O)NCCN[C@H]1CCNC1=O ZINC001148216699 781529768 /nfs/dbraw/zinc/52/97/68/781529768.db2.gz JOFOLSNHIRACDB-JTQLQIEISA-N 0 3 284.360 -1.113 20 0 CAADHN C[C@@H](NCCNC(=O)CCCC(=O)N(C)C)C(N)=O ZINC001148203976 781530083 /nfs/dbraw/zinc/53/00/83/781530083.db2.gz VTKFFJZCOHTDLA-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CCCNC(=O)CCCC(=O)NCCNCC(N)=O ZINC001148244035 781530459 /nfs/dbraw/zinc/53/04/59/781530459.db2.gz YTGMQEQRUGKMSD-UHFFFAOYSA-N 0 3 272.349 -1.126 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cccn(C)c1=O ZINC001148309644 781530580 /nfs/dbraw/zinc/53/05/80/781530580.db2.gz QONDJUITSXHDHJ-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN CC[C@@H](NCCNC(=O)CS(=O)(=O)N(C)C)C(N)=O ZINC001149447846 781530696 /nfs/dbraw/zinc/53/06/96/781530696.db2.gz PHCLRXWOBCWOES-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN CCCNC(=O)CCC(=O)NCCN[C@@H](C)C(N)=O ZINC001148216686 781530782 /nfs/dbraw/zinc/53/07/82/781530782.db2.gz JHXHVKIGJUHLND-VIFPVBQESA-N 0 3 272.349 -1.128 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccn(C)c1=O)C(N)=O ZINC001148296690 781531029 /nfs/dbraw/zinc/53/10/29/781531029.db2.gz BHINNENUMUNZKF-MRVPVSSYSA-N 0 3 266.301 -1.422 20 0 CAADHN CCc1cc(C(=O)NCCNCC(=O)NC(N)=O)no1 ZINC001148322248 781531933 /nfs/dbraw/zinc/53/19/33/781531933.db2.gz XADXSMSRBIIOGZ-UHFFFAOYSA-N 0 3 283.288 -1.249 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148427159 781532131 /nfs/dbraw/zinc/53/21/31/781532131.db2.gz JJSHWBJBGXCWAD-YUMQZZPRSA-N 0 3 256.306 -1.895 20 0 CAADHN NC(=O)CNCCNC(=O)CN1Cc2ccccc2C1=O ZINC001148337697 781532373 /nfs/dbraw/zinc/53/23/73/781532373.db2.gz VZENFXWQEXKMAT-UHFFFAOYSA-N 0 3 290.323 -1.167 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001148427629 781533264 /nfs/dbraw/zinc/53/32/64/781533264.db2.gz QHKRIDFILDNSCE-WDEREUQCSA-N 0 3 296.371 -1.020 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417659 781533313 /nfs/dbraw/zinc/53/33/13/781533313.db2.gz GFUDRSMNQYWFSH-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417660 781533515 /nfs/dbraw/zinc/53/35/15/781533515.db2.gz GFUDRSMNQYWFSH-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001148436861 781533526 /nfs/dbraw/zinc/53/35/26/781533526.db2.gz DWBGTQMGWCPUQZ-SCZZXKLOSA-N 0 3 270.333 -1.423 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCCN1C(C)=O ZINC001148433393 781533579 /nfs/dbraw/zinc/53/35/79/781533579.db2.gz RMURCENEAJYSTC-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417460 781533585 /nfs/dbraw/zinc/53/35/85/781533585.db2.gz DDLRFHUSQFJQNL-JTQLQIEISA-N 0 3 265.317 -1.096 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001148427932 781533645 /nfs/dbraw/zinc/53/36/45/781533645.db2.gz VSHDBARDZJXJNW-IUCAKERBSA-N 0 3 268.317 -1.799 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001148428272 781533669 /nfs/dbraw/zinc/53/36/69/781533669.db2.gz ZVHXQTVSRQVIOT-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCNCC(=O)N(C)C ZINC001148432826 781534202 /nfs/dbraw/zinc/53/42/02/781534202.db2.gz MMQNNUDQCGZOKY-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC(=O)N1)C(=O)N(C)C ZINC001148428157 781534349 /nfs/dbraw/zinc/53/43/49/781534349.db2.gz XGTGLMPJXHASLY-BDAKNGLRSA-N 0 3 270.333 -1.553 20 0 CAADHN CCN(C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001148427253 781534415 /nfs/dbraw/zinc/53/44/15/781534415.db2.gz MMSRUFITDGRZNP-NSHDSACASA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001148437224 781534441 /nfs/dbraw/zinc/53/44/41/781534441.db2.gz LFYXWHGSYBZXGG-NEPJUHHUSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)N[C@H](CC(C)C)C(=O)NCCNCC(N)=O ZINC001148485463 781534860 /nfs/dbraw/zinc/53/48/60/781534860.db2.gz SRLBCVJVJIWYHH-SNVBAGLBSA-N 0 3 272.349 -1.272 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148418357 781535024 /nfs/dbraw/zinc/53/50/24/781535024.db2.gz ZCLPZNPPVRXBOG-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148418238 781535194 /nfs/dbraw/zinc/53/51/94/781535194.db2.gz WRVYDUOVGKLTHE-JTQLQIEISA-N 0 3 284.360 -1.113 20 0 CAADHN CC(=O)N[C@@H](C(=O)NCCN[C@@H]1CCNC1=O)C(C)C ZINC001148465750 781535207 /nfs/dbraw/zinc/53/52/07/781535207.db2.gz KUYMBXDIGHNCOR-GHMZBOCLSA-N 0 3 284.360 -1.259 20 0 CAADHN CC(=O)N[C@@H](CC(C)C)C(=O)NCCNCC(N)=O ZINC001148478101 781535408 /nfs/dbraw/zinc/53/54/08/781535408.db2.gz SRLBCVJVJIWYHH-JTQLQIEISA-N 0 3 272.349 -1.272 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148418330 781535419 /nfs/dbraw/zinc/53/54/19/781535419.db2.gz YNWVPVLWUJXDTL-VIFPVBQESA-N 0 3 270.333 -1.505 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001148449882 781535546 /nfs/dbraw/zinc/53/55/46/781535546.db2.gz SNXRIXUZYBKUMU-NEPJUHHUSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148470734 781535695 /nfs/dbraw/zinc/53/56/95/781535695.db2.gz OGMPMNMWROWVTQ-MWLCHTKSSA-N 0 3 286.376 -1.013 20 0 CAADHN CC(=O)N[C@@H](C(=O)NCCN[C@H](C)C(N)=O)C(C)C ZINC001148466319 781535771 /nfs/dbraw/zinc/53/57/71/781535771.db2.gz WXXMOIPNCQVUIB-PSASIEDQSA-N 0 3 272.349 -1.273 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCC(=O)N1)N1CCC1 ZINC001148417735 781535915 /nfs/dbraw/zinc/53/59/15/781535915.db2.gz IXVZVXXICNOBBI-VIFPVBQESA-N 0 3 268.317 -1.797 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CCC(=O)N1 ZINC001148417976 781535964 /nfs/dbraw/zinc/53/59/64/781535964.db2.gz PIXWZOWYTKZZDB-YUMQZZPRSA-N 0 3 254.290 -2.141 20 0 CAADHN Cc1ccc(=O)n(CC(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001148557607 781536502 /nfs/dbraw/zinc/53/65/02/781536502.db2.gz XNVHSMXAOLDLGZ-VIFPVBQESA-N 0 3 281.316 -1.869 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)N(C)C)CCC1 ZINC001148598738 781536704 /nfs/dbraw/zinc/53/67/04/781536704.db2.gz HGTJGLUNFIYPCL-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)NC2CC2)CCC1 ZINC001148599365 781536811 /nfs/dbraw/zinc/53/68/11/781536811.db2.gz RECXASRKYZYROY-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)N2CCC2)CCC1 ZINC001148599740 781536939 /nfs/dbraw/zinc/53/69/39/781536939.db2.gz WXUFCMMLUDLCDV-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1nc(C)ccc1=O ZINC001148557305 781536945 /nfs/dbraw/zinc/53/69/45/781536945.db2.gz CXVPXMAETVFYLK-SNVBAGLBSA-N 0 3 295.343 -1.608 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(N)=O)CCC1 ZINC001148599392 781537032 /nfs/dbraw/zinc/53/70/32/781537032.db2.gz SYRSSBJHDVQHAU-UHFFFAOYSA-N 0 3 256.306 -1.906 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)NC(N)=O)CCC1 ZINC001148599789 781537308 /nfs/dbraw/zinc/53/73/08/781537308.db2.gz YFGPQEQTESJRCL-UHFFFAOYSA-N 0 3 299.331 -2.197 20 0 CAADHN Cc1ccc(=O)n(CC(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001148571080 781537373 /nfs/dbraw/zinc/53/73/73/781537373.db2.gz VKRMJFRZQVDXSM-JTQLQIEISA-N 0 3 293.327 -1.854 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H]2CCCNC2=O)CCC1 ZINC001148602478 781537399 /nfs/dbraw/zinc/53/73/99/781537399.db2.gz CXAJJLSDHOXOEM-JTQLQIEISA-N 0 3 296.371 -1.113 20 0 CAADHN CO[C@@H](C)C1CN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161146733 781538192 /nfs/dbraw/zinc/53/81/92/781538192.db2.gz RSSJZIALYLAAIX-ONGXEEELSA-N 0 3 269.345 -1.190 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149464466 781538252 /nfs/dbraw/zinc/53/82/52/781538252.db2.gz XCNAUGHQOZNXRD-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)c1ccccc1 ZINC001148716201 781538287 /nfs/dbraw/zinc/53/82/87/781538287.db2.gz SMDSCYSTLKLNNU-UHFFFAOYSA-N 0 3 292.339 -1.132 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H]2CCN(C)C2=O)CCC1 ZINC001148628629 781538699 /nfs/dbraw/zinc/53/86/99/781538699.db2.gz GABQRHCGBYYVJU-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)c1ccccc1 ZINC001148716251 781538899 /nfs/dbraw/zinc/53/88/99/781538899.db2.gz VTAJQCCKJNCORH-UHFFFAOYSA-N 0 3 278.312 -1.393 20 0 CAADHN CC[C@@H](NCCNC(=O)C1(C(=O)NC)CCC1)C(N)=O ZINC001148628198 781538977 /nfs/dbraw/zinc/53/89/77/781538977.db2.gz AKHHGRLROFRIQR-SECBINFHSA-N 0 3 284.360 -1.128 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C1(C(=O)NC)CCC1 ZINC001148628349 781539367 /nfs/dbraw/zinc/53/93/67/781539367.db2.gz CREGIBIOXMURLH-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149464465 781539614 /nfs/dbraw/zinc/53/96/14/781539614.db2.gz XCNAUGHQOZNXRD-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCCC(=O)N2C)C1=O ZINC001149477658 781540341 /nfs/dbraw/zinc/54/03/41/781540341.db2.gz VRNVBEBVOQXLEA-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)C1 ZINC001149326001 781540395 /nfs/dbraw/zinc/54/03/95/781540395.db2.gz YUVGADHOCFALPU-VXGBXAGGSA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1Cc2cccnc2C1 ZINC001149189093 781540650 /nfs/dbraw/zinc/54/06/50/781540650.db2.gz QAYWWYQSLUDDFC-JTQLQIEISA-N 0 3 262.313 -1.013 20 0 CAADHN COCC(=O)NC[C@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001149002913 781541252 /nfs/dbraw/zinc/54/12/52/781541252.db2.gz UGSBXFMILOMEGL-NEPJUHHUSA-N 0 3 290.360 -1.153 20 0 CAADHN NC(=O)CC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001149489295 781541966 /nfs/dbraw/zinc/54/19/66/781541966.db2.gz IIARNBMGNHNNKH-JTQLQIEISA-N 0 3 273.333 -1.549 20 0 CAADHN COc1cccnc1C(=O)NCCNCC(=O)NC(N)=O ZINC001149020196 781542047 /nfs/dbraw/zinc/54/20/47/781542047.db2.gz RLWLTGUPGDEQED-UHFFFAOYSA-N 0 3 295.299 -1.396 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001149530712 781542492 /nfs/dbraw/zinc/54/24/92/781542492.db2.gz NGZTYAQDDLKAGM-MNOVXSKESA-N 0 3 298.343 -2.172 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001149530713 781543095 /nfs/dbraw/zinc/54/30/95/781543095.db2.gz NGZTYAQDDLKAGM-QWRGUYRKSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001091971596 781544081 /nfs/dbraw/zinc/54/40/81/781544081.db2.gz IPJLFGHTQPYNKN-RULNRJAQSA-N 0 3 296.371 -1.271 20 0 CAADHN C[C@]12CN(C(=O)Cc3nnc[n-]3)C[C@H]1C[N@H+](CC(N)=O)C2 ZINC001092186228 781546164 /nfs/dbraw/zinc/54/61/64/781546164.db2.gz VOEYWDQKXLNKEA-RNCFNFMXSA-N 0 3 292.343 -1.387 20 0 CAADHN C[C@]12CN(C(=O)Cc3nnc[n-]3)C[C@H]1C[N@@H+](CC(N)=O)C2 ZINC001092186228 781546167 /nfs/dbraw/zinc/54/61/67/781546167.db2.gz VOEYWDQKXLNKEA-RNCFNFMXSA-N 0 3 292.343 -1.387 20 0 CAADHN CC(C)NC(=O)CNS(=O)(=O)N1CCNCC1 ZINC000036782074 781552619 /nfs/dbraw/zinc/55/26/19/781552619.db2.gz FCTOOAGPMBPRDQ-UHFFFAOYSA-N 0 3 264.351 -1.749 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NC2CC2)C1 ZINC001036806066 781554148 /nfs/dbraw/zinc/55/41/48/781554148.db2.gz IZODZWQTGKEDLQ-ONGXEEELSA-N 0 3 294.355 -1.327 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)N2CCC2)C1 ZINC001036804139 781554369 /nfs/dbraw/zinc/55/43/69/781554369.db2.gz FGOZWYZJKHYVGW-GHMZBOCLSA-N 0 3 294.355 -1.373 20 0 CAADHN CNC(=O)CN1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036804577 781554757 /nfs/dbraw/zinc/55/47/57/781554757.db2.gz LWUFRHZOLNVHJD-IUCAKERBSA-N 0 3 268.317 -1.860 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NC2CC2)C1 ZINC001036806063 781555155 /nfs/dbraw/zinc/55/51/55/781555155.db2.gz IZODZWQTGKEDLQ-GXSJLCMTSA-N 0 3 294.355 -1.327 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)N2CCC2)C1 ZINC001036804142 781555273 /nfs/dbraw/zinc/55/52/73/781555273.db2.gz FGOZWYZJKHYVGW-WDEREUQCSA-N 0 3 294.355 -1.373 20 0 CAADHN CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036806342 781555329 /nfs/dbraw/zinc/55/53/29/781555329.db2.gz NOWBKZQCSGNEDO-ZJUUUORDSA-N 0 3 282.344 -1.517 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)N2CCC2)C1 ZINC001036804141 781555507 /nfs/dbraw/zinc/55/55/07/781555507.db2.gz FGOZWYZJKHYVGW-QWRGUYRKSA-N 0 3 294.355 -1.373 20 0 CAADHN O=S(=O)(NCCCN1CCOCC1)N1CCNCC1 ZINC000036964124 781557135 /nfs/dbraw/zinc/55/71/35/781557135.db2.gz HRUICTRUOSYBCP-UHFFFAOYSA-N 0 3 292.405 -1.552 20 0 CAADHN NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3nnc[n-]3)CC[C@@H]21 ZINC001036865536 781559537 /nfs/dbraw/zinc/55/95/37/781559537.db2.gz OVCAZWIJAUCTSA-UWVGGRQHSA-N 0 3 292.343 -1.245 20 0 CAADHN NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cc3nnc[n-]3)CC[C@@H]21 ZINC001036865536 781559543 /nfs/dbraw/zinc/55/95/43/781559543.db2.gz OVCAZWIJAUCTSA-UWVGGRQHSA-N 0 3 292.343 -1.245 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001094117869 781562701 /nfs/dbraw/zinc/56/27/01/781562701.db2.gz VLVKAHKEKMHJFZ-OPRDCNLKSA-N 0 3 292.343 -1.009 20 0 CAADHN CN(C)C(=O)CNS(=O)(=O)N1CCNCC1 ZINC000037225654 781566263 /nfs/dbraw/zinc/56/62/63/781566263.db2.gz DMFWNGFWXYUQDY-UHFFFAOYSA-N 0 3 250.324 -2.186 20 0 CAADHN CN1CC[C@H](N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001171943561 781573647 /nfs/dbraw/zinc/57/36/47/781573647.db2.gz UKQPYJQKLSYEOD-RNJXMRFFSA-N 0 3 254.290 -2.264 20 0 CAADHN CCN1CC[C@H](NCC(=O)NCC(N)=O)CC1=O ZINC001172044904 781574126 /nfs/dbraw/zinc/57/41/26/781574126.db2.gz XIWNZMNBMQKKNW-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CCN1CC[C@@H](NCC(=O)NCC(=O)OC)CC1=O ZINC001172034932 781574556 /nfs/dbraw/zinc/57/45/56/781574556.db2.gz HEVNHSHNNXWJMF-SECBINFHSA-N 0 3 271.317 -1.124 20 0 CAADHN NC(=O)CNC(=O)CN[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172013784 781574909 /nfs/dbraw/zinc/57/49/09/781574909.db2.gz LIYMZAINZKQEGQ-MRVPVSSYSA-N 0 3 268.317 -1.669 20 0 CAADHN OC[C@H]1O[C@@H](O)[C@H](NC2C[C@H]3CC[C@@H](C2)O3)[C@@H](O)[C@@H]1O ZINC001172220314 781575609 /nfs/dbraw/zinc/57/56/09/781575609.db2.gz JKJVHZNWOAZWIS-SQTQVJJASA-N 0 3 289.328 -1.914 20 0 CAADHN NC(=O)C[C@H](N[C@@H]1CCN2C(=O)CC[C@H]2C1)C(N)=O ZINC001172170241 781575642 /nfs/dbraw/zinc/57/56/42/781575642.db2.gz IVLSVSQUUAHEIU-VGMNWLOBSA-N 0 3 268.317 -1.541 20 0 CAADHN NC(=O)C[C@H](N[C@@H]1CCN2C(=O)CC[C@@H]2C1)C(N)=O ZINC001172170240 781576357 /nfs/dbraw/zinc/57/63/57/781576357.db2.gz IVLSVSQUUAHEIU-HLTSFMKQSA-N 0 3 268.317 -1.541 20 0 CAADHN Cn1cnnc1CN[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 ZINC001094987939 781577010 /nfs/dbraw/zinc/57/70/10/781577010.db2.gz URBZSUYPSMJUOS-AEJSXWLSSA-N 0 3 292.343 -1.231 20 0 CAADHN CC(C)OCC[C@H](C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001172436037 781577487 /nfs/dbraw/zinc/57/74/87/781577487.db2.gz PJNWDPYBCSAWND-ZRFFIENRSA-N 0 3 293.360 -1.421 20 0 CAADHN COC(=O)N1CCC(N[C@@H](CC(N)=O)C(N)=O)CC1 ZINC001172734194 781577592 /nfs/dbraw/zinc/57/75/92/781577592.db2.gz BDQGTPKSVQACTA-QMMMGPOBSA-N 0 3 272.305 -1.464 20 0 CAADHN COC(=O)[C@@H]1CCC[C@H](NCC(=O)NCC(N)=O)C1 ZINC001172613285 781578083 /nfs/dbraw/zinc/57/80/83/781578083.db2.gz VJNKSVRPLOLEOW-BDAKNGLRSA-N 0 3 271.317 -1.091 20 0 CAADHN Cn1cc(CN[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)nn1 ZINC001094989550 781579454 /nfs/dbraw/zinc/57/94/54/781579454.db2.gz NXNCHNVDAWPSFA-QXEWZRGKSA-N 0 3 292.343 -1.231 20 0 CAADHN CCSC[C@H](C)NCC(=O)NCC(=O)NCC(N)=O ZINC001173300454 781579520 /nfs/dbraw/zinc/57/95/20/781579520.db2.gz HSJLTOYGGLKSFK-QMMMGPOBSA-N 0 3 290.389 -1.565 20 0 CAADHN O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001095154775 781579713 /nfs/dbraw/zinc/57/97/13/781579713.db2.gz REAKIZNBOIPEGK-VWYCJHECSA-N 0 3 280.332 -1.223 20 0 CAADHN CCN1CC[C@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001173354736 781579755 /nfs/dbraw/zinc/57/97/55/781579755.db2.gz JFIXEAGYUMYBJW-VQJPJQAJSA-N 0 3 276.333 -2.530 20 0 CAADHN C[C@H]1C[C@@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CCO1 ZINC001173169284 781580272 /nfs/dbraw/zinc/58/02/72/781580272.db2.gz CBDIGLOQQMCDQO-AOBMHGRSSA-N 0 3 277.317 -2.057 20 0 CAADHN COC[C@@H](O)CN1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150218697 781581480 /nfs/dbraw/zinc/58/14/80/781581480.db2.gz JGWKICQEDTXIIT-UWVGGRQHSA-N 0 3 289.332 -2.314 20 0 CAADHN COC[C@@H](O)CN1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150218698 781581711 /nfs/dbraw/zinc/58/17/11/781581711.db2.gz JGWKICQEDTXIIT-VHSXEESVSA-N 0 3 289.332 -2.314 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC(CO)CO)C[C@@H]1C(=O)OC ZINC001173566842 781581768 /nfs/dbraw/zinc/58/17/68/781581768.db2.gz RMOJRGZYLWUYPR-SLGCYQGISA-N 0 3 275.301 -1.330 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NCCN[C@@H]1CCCNC1=O ZINC001150332442 781582745 /nfs/dbraw/zinc/58/27/45/781582745.db2.gz UPHCPSPSGZQZKH-MRVPVSSYSA-N 0 3 297.315 -2.477 20 0 CAADHN CN(C(=O)CNCCNC(=O)Cn1cncn1)C1CC1 ZINC001150260927 781582773 /nfs/dbraw/zinc/58/27/73/781582773.db2.gz JLIMNJQRSPEEOQ-UHFFFAOYSA-N 0 3 280.332 -1.395 20 0 CAADHN NC(=O)NCCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001150423468 781584476 /nfs/dbraw/zinc/58/44/76/781584476.db2.gz HANXUPSGOWQPJS-SSDOTTSWSA-N 0 3 285.304 -2.444 20 0 CAADHN NC(=O)NCCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001150423892 781586376 /nfs/dbraw/zinc/58/63/76/781586376.db2.gz LNOGAJNPVGCRLY-MRVPVSSYSA-N 0 3 271.321 -1.971 20 0 CAADHN NC(=O)NCCC(=O)NCCNCC(=O)NCC1CC1 ZINC001150423528 781586651 /nfs/dbraw/zinc/58/66/51/781586651.db2.gz IZRKVCPIBCMZRF-UHFFFAOYSA-N 0 3 285.348 -1.723 20 0 CAADHN NC(=O)NCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001150423871 781587178 /nfs/dbraw/zinc/58/71/78/781587178.db2.gz KWZSUNLEHLPDCA-SSDOTTSWSA-N 0 3 257.294 -2.361 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCNC(N)=O ZINC001150424556 781587849 /nfs/dbraw/zinc/58/78/49/781587849.db2.gz SUYQDIHVXDQNGY-UHFFFAOYSA-N 0 3 259.310 -2.113 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCNC(N)=O ZINC001150432349 781588598 /nfs/dbraw/zinc/58/85/98/781588598.db2.gz QWHONYDUYHBOQE-ZETCQYMHSA-N 0 3 259.310 -2.115 20 0 CAADHN CC[C@H](NCCNC(=O)c1nccnc1C(N)=O)C(N)=O ZINC001150444074 781589399 /nfs/dbraw/zinc/58/93/99/781589399.db2.gz FZDPXEIHWOBELQ-ZETCQYMHSA-N 0 3 294.315 -1.841 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N[C@@]12CCN(C1)CCC2 ZINC001175053654 781589432 /nfs/dbraw/zinc/58/94/32/781589432.db2.gz HLAMYSCEYIDLDW-KCJUWKMLSA-N 0 3 256.306 -1.630 20 0 CAADHN C[C@]12CN(CC(=O)NC(N)=O)C[C@@]1(C)C(=O)NC2=O ZINC001175252001 781589669 /nfs/dbraw/zinc/58/96/69/781589669.db2.gz ZLTSEJQKBFUBNT-PHIMTYICSA-N 0 3 268.273 -1.834 20 0 CAADHN CC[C@@H](NCCNC(=O)c1nccnc1C(N)=O)C(N)=O ZINC001150444073 781589728 /nfs/dbraw/zinc/58/97/28/781589728.db2.gz FZDPXEIHWOBELQ-SSDOTTSWSA-N 0 3 294.315 -1.841 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1C(=O)CCC1=O ZINC001150466607 781589783 /nfs/dbraw/zinc/58/97/83/781589783.db2.gz KWRTUSQOZAVCPH-MRVPVSSYSA-N 0 3 284.316 -2.024 20 0 CAADHN C[C@@]12CN(CC(=O)NC(N)=O)C[C@@]1(C)C(=O)NC2=O ZINC001175252002 781589873 /nfs/dbraw/zinc/58/98/73/781589873.db2.gz ZLTSEJQKBFUBNT-QWRGUYRKSA-N 0 3 268.273 -1.834 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1C(=O)CCC1=O ZINC001150466612 781590153 /nfs/dbraw/zinc/59/01/53/781590153.db2.gz KWRTUSQOZAVCPH-QMMMGPOBSA-N 0 3 284.316 -2.024 20 0 CAADHN C[C@H](NCCNC(=O)C1CCN(C(N)=O)CC1)C(N)=O ZINC001150517577 781594562 /nfs/dbraw/zinc/59/45/62/781594562.db2.gz MMJRFIUZOUDONK-QMMMGPOBSA-N 0 3 285.348 -1.643 20 0 CAADHN NC(=O)N1CCC(C(=O)NCCN[C@H]2CCNC2=O)CC1 ZINC001150517872 781594665 /nfs/dbraw/zinc/59/46/65/781594665.db2.gz QACKYQFFTIFNRP-JTQLQIEISA-N 0 3 297.359 -1.629 20 0 CAADHN COC(=O)N[C@@H](C)C(=O)NCCN(C)CCOCCO ZINC001175822629 781595242 /nfs/dbraw/zinc/59/52/42/781595242.db2.gz OTLSAQGIFADZJK-JTQLQIEISA-N 0 3 291.348 -1.212 20 0 CAADHN CN(CCNC(=O)C1(NC(N)=O)CC1)CCOCCO ZINC001175822229 781596300 /nfs/dbraw/zinc/59/63/00/781596300.db2.gz KFYQLVWDXFIDRM-UHFFFAOYSA-N 0 3 288.348 -1.756 20 0 CAADHN C[C@H](NCCNC(=O)CCCN1C(=O)CNC1=O)C(N)=O ZINC001150532783 781596342 /nfs/dbraw/zinc/59/63/42/781596342.db2.gz FKQGTQAEESSVNS-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN CC(=O)N1CCC(C(=O)NCCNCC(N)=O)CC1 ZINC001150525923 781596463 /nfs/dbraw/zinc/59/64/63/781596463.db2.gz LKYJPAPDWHSGIA-UHFFFAOYSA-N 0 3 270.333 -1.564 20 0 CAADHN C[C@@H](NCCNC(=O)CCCN1C(=O)CNC1=O)C(N)=O ZINC001150532778 781596549 /nfs/dbraw/zinc/59/65/49/781596549.db2.gz FKQGTQAEESSVNS-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cn1ccccc1=O ZINC001150589849 781601036 /nfs/dbraw/zinc/60/10/36/781601036.db2.gz JJMQPHZRWOCIBM-UHFFFAOYSA-N 0 3 280.328 -1.358 20 0 CAADHN C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1nn[n-]n1 ZINC001176840691 781605402 /nfs/dbraw/zinc/60/54/02/781605402.db2.gz MNENIIOUWSHQII-WDEREUQCSA-N 0 3 293.375 -1.021 20 0 CAADHN CN1CCN(C2CN(C(=O)Cc3c[nH]cn3)C2)CC1=O ZINC001176830971 781605797 /nfs/dbraw/zinc/60/57/97/781605797.db2.gz IAOOXUXSDYKWLW-UHFFFAOYSA-N 0 3 277.328 -1.063 20 0 CAADHN CCN1CCCO[C@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001150684773 781617476 /nfs/dbraw/zinc/61/74/76/781617476.db2.gz ADKYUEYZDOGUMW-SNVBAGLBSA-N 0 3 298.343 -1.235 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCCO1 ZINC001178062433 781629694 /nfs/dbraw/zinc/62/96/94/781629694.db2.gz PINKNJXOVFFBBK-GUBZILKMSA-N 0 3 298.343 -1.061 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C)C(=O)N(C)C ZINC001178096095 781629746 /nfs/dbraw/zinc/62/97/46/781629746.db2.gz BIQXMCWQVIIADD-UTLUCORTSA-N 0 3 299.375 -1.290 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178089041 781630532 /nfs/dbraw/zinc/63/05/32/781630532.db2.gz YLRMHOAKHMEWLA-YUMQZZPRSA-N 0 3 271.321 -2.020 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H]1C ZINC001178202514 781630825 /nfs/dbraw/zinc/63/08/25/781630825.db2.gz HCVAMVTZTCDQES-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)c1cc[nH]n1 ZINC001178160726 781630875 /nfs/dbraw/zinc/63/08/75/781630875.db2.gz PWYSHYOEUGBAND-YUMQZZPRSA-N 0 3 294.315 -1.203 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1C ZINC001178084941 781630892 /nfs/dbraw/zinc/63/08/92/781630892.db2.gz BCBOTWBFPDYDQU-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178080712 781630982 /nfs/dbraw/zinc/63/09/82/781630982.db2.gz NRCGWYFYODYJBG-NRPADANISA-N 0 3 270.333 -1.425 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001178163560 781631108 /nfs/dbraw/zinc/63/11/08/781631108.db2.gz WXFBFLFDDHJQCH-QXEWZRGKSA-N 0 3 284.360 -1.083 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C)C(N)=O ZINC001178093356 781631287 /nfs/dbraw/zinc/63/12/87/781631287.db2.gz IHQRQQWFQTYHKM-FXQIFTODSA-N 0 3 271.321 -1.893 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178163235 781631553 /nfs/dbraw/zinc/63/15/53/781631553.db2.gz RMDWNFSQCJZCPF-WPRPVWTQSA-N 0 3 270.333 -1.471 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)CNC(N)=O)[C@H]2C)n[nH]1 ZINC001178093607 781631829 /nfs/dbraw/zinc/63/18/29/781631829.db2.gz LKAYKRCWCKHIEB-CBAPKCEASA-N 0 3 295.347 -1.140 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2nccnc2N)[C@H]1C ZINC001178371090 781632914 /nfs/dbraw/zinc/63/29/14/781632914.db2.gz LVFBQPBCKWXEEY-IUCAKERBSA-N 0 3 292.343 -1.003 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001178211231 781632993 /nfs/dbraw/zinc/63/29/93/781632993.db2.gz WAQGJFBBWVJRSP-CIUDSAMLSA-N 0 3 286.332 -1.205 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001178383666 781633391 /nfs/dbraw/zinc/63/33/91/781633391.db2.gz FUXAIJKKJRRSRF-GUBZILKMSA-N 0 3 284.360 -1.035 20 0 CAADHN CCCC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178275835 781633516 /nfs/dbraw/zinc/63/35/16/781633516.db2.gz UYBMGYWAPXYAEY-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COCCN2C)[C@H]1C ZINC001178488744 781633888 /nfs/dbraw/zinc/63/38/88/781633888.db2.gz DAYYNKFVAVJGEN-SDDRHHMPSA-N 0 3 298.387 -1.358 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)[C@@H]1C ZINC001178364732 781633986 /nfs/dbraw/zinc/63/39/86/781633986.db2.gz XYQOOXDGEJSUPT-DCAQKATOSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178390603 781634825 /nfs/dbraw/zinc/63/48/25/781634825.db2.gz ARUGYGOCXAFWPZ-VGMNWLOBSA-N 0 3 270.333 -1.425 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C)C(=O)N(C)C ZINC001178391002 781634957 /nfs/dbraw/zinc/63/49/57/781634957.db2.gz FMSAUIJQSNRMAD-UTLUCORTSA-N 0 3 284.360 -1.083 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](N[C@H](C)C(=O)NC)[C@@H]1C ZINC001178547933 781635884 /nfs/dbraw/zinc/63/58/84/781635884.db2.gz LCOZZQXEOICUMJ-UTLUCORTSA-N 0 3 284.360 -1.164 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)[C@@H]1C ZINC001178544570 781636070 /nfs/dbraw/zinc/63/60/70/781636070.db2.gz LHCIOZWSGFEBPI-LPEHRKFASA-N 0 3 282.344 -1.410 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178544824 781636421 /nfs/dbraw/zinc/63/64/21/781636421.db2.gz SXNJTGZSXHJRSY-YUMQZZPRSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC)[C@@H]1C ZINC001178547932 781636488 /nfs/dbraw/zinc/63/64/88/781636488.db2.gz LCOZZQXEOICUMJ-GUBZILKMSA-N 0 3 284.360 -1.164 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CC(=O)NC)[C@H]1C ZINC001178541082 781636745 /nfs/dbraw/zinc/63/67/45/781636745.db2.gz DHKAGGZECGUWIT-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN Cc1noc(C)c1CC(=O)NCCNCC(=O)NC(N)=O ZINC001150807687 781637235 /nfs/dbraw/zinc/63/72/35/781637235.db2.gz RVHVLVIBDLPVCB-UHFFFAOYSA-N 0 3 297.315 -1.265 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@H]1C ZINC001178555359 781637538 /nfs/dbraw/zinc/63/75/38/781637538.db2.gz LNFKJDTWXILJJW-CABZTGNLSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C ZINC001178615450 781637582 /nfs/dbraw/zinc/63/75/82/781637582.db2.gz KPGWKTGILYKUEY-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H]1C ZINC001178595297 781637919 /nfs/dbraw/zinc/63/79/19/781637919.db2.gz RQYBEWUSGAEAPC-XHNCKOQMSA-N 0 3 284.316 -1.580 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)[C@@H]1C ZINC001178548163 781637947 /nfs/dbraw/zinc/63/79/47/781637947.db2.gz SONZPNBDMBZDSO-DCAQKATOSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001178548519 781637982 /nfs/dbraw/zinc/63/79/82/781637982.db2.gz XWOBNCWMNCUQGI-CIUDSAMLSA-N 0 3 270.333 -1.425 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178632389 781637999 /nfs/dbraw/zinc/63/79/99/781637999.db2.gz QBYCVYOTYJENQA-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001178627436 781638053 /nfs/dbraw/zinc/63/80/53/781638053.db2.gz BLKIBWARFAQFQP-GUBZILKMSA-N 0 3 299.375 -1.242 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCn2ccnn2)[C@H]1C ZINC001178551544 781638070 /nfs/dbraw/zinc/63/80/70/781638070.db2.gz KYMKCBALDSELDO-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCNC(=O)NC)[C@H]1C ZINC001178627853 781638295 /nfs/dbraw/zinc/63/82/95/781638295.db2.gz UFSGDYLGLGJCHL-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C)C(N)=O ZINC001178552057 781638309 /nfs/dbraw/zinc/63/83/09/781638309.db2.gz UEFVTXXWNNTUAC-XGEHTFHBSA-N 0 3 285.348 -1.504 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cc(=O)n(C)o2)[C@H]1C ZINC001178555305 781638331 /nfs/dbraw/zinc/63/83/31/781638331.db2.gz JEJJXODSRWPTRV-IUCAKERBSA-N 0 3 296.327 -1.083 20 0 CAADHN CN1C[C@H](NC(=O)CCNC(=O)CO)C(C)(C)C1 ZINC001178709982 781638597 /nfs/dbraw/zinc/63/85/97/781638597.db2.gz TZSSBKDIXKRBPR-VIFPVBQESA-N 0 3 257.334 -1.059 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H]1C ZINC001178595296 781638611 /nfs/dbraw/zinc/63/86/11/781638611.db2.gz RQYBEWUSGAEAPC-CIUDSAMLSA-N 0 3 284.316 -1.580 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178563882 781638639 /nfs/dbraw/zinc/63/86/39/781638639.db2.gz UXWZEHWBECQDEE-FXQIFTODSA-N 0 3 271.321 -1.893 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C ZINC001178839497 781639431 /nfs/dbraw/zinc/63/94/31/781639431.db2.gz REWHILRIRYDQEH-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC)[C@@H]1C ZINC001178849620 781640325 /nfs/dbraw/zinc/64/03/25/781640325.db2.gz ORXJPXRJKLRXKA-UTLUCORTSA-N 0 3 299.375 -1.371 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)[C@H]1C ZINC001178940204 781640944 /nfs/dbraw/zinc/64/09/44/781640944.db2.gz GIWYTHCBJONKCT-AXFHLTTASA-N 0 3 296.371 -1.162 20 0 CAADHN Cc1nc(CNC(=O)CN2CCN(C)CC2)n[nH]1 ZINC001178956042 781642812 /nfs/dbraw/zinc/64/28/12/781642812.db2.gz JULSRYAYNSBPOP-UHFFFAOYSA-N 0 3 252.322 -1.023 20 0 CAADHN CN1CCN(CC(=O)NC2(CO)CCN(C)CC2)CC1 ZINC001178956183 781643102 /nfs/dbraw/zinc/64/31/02/781643102.db2.gz LRAIERUFYRDHIR-UHFFFAOYSA-N 0 3 284.404 -1.193 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)C(C)(C)C)C(N)=O ZINC001150844060 781645855 /nfs/dbraw/zinc/64/58/55/781645855.db2.gz IPHOGQDBWGBJRU-MRVPVSSYSA-N 0 3 272.349 -1.272 20 0 CAADHN CN1CCN(C)[C@H](CNC(=O)[C@@H]2CNCCO2)C1 ZINC000068807821 781645907 /nfs/dbraw/zinc/64/59/07/781645907.db2.gz AZSAAYLHCSZFET-MNOVXSKESA-N 0 3 256.350 -1.663 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)C(C)(C)C)C(N)=O ZINC001150844083 781646560 /nfs/dbraw/zinc/64/65/60/781646560.db2.gz IPHOGQDBWGBJRU-QMMMGPOBSA-N 0 3 272.349 -1.272 20 0 CAADHN COCCN1CCCO[C@H](CNC(=O)CNC(C)=O)C1 ZINC001149038926 781646766 /nfs/dbraw/zinc/64/67/66/781646766.db2.gz XZGQTPXVRVIYCW-GFCCVEGCSA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)[C@H]1C ZINC001179392622 781647528 /nfs/dbraw/zinc/64/75/28/781647528.db2.gz NFRAQFMKBYLJLO-GARJFASQSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)CC(N)=O)[C@H]1C ZINC001179300748 781647614 /nfs/dbraw/zinc/64/76/14/781647614.db2.gz WUEICGJPPWIVCO-UTLUCORTSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)[C@H]1C ZINC001179300643 781647767 /nfs/dbraw/zinc/64/77/67/781647767.db2.gz SOFYYYCZAQTXMJ-GUBZILKMSA-N 0 3 297.359 -1.665 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)[C@H]1C ZINC001179300644 781647820 /nfs/dbraw/zinc/64/78/20/781647820.db2.gz SOFYYYCZAQTXMJ-LPEHRKFASA-N 0 3 297.359 -1.665 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@H]1CCNC1=O ZINC001179300695 781647871 /nfs/dbraw/zinc/64/78/71/781647871.db2.gz VBXBYFDAINXCJS-DCAQKATOSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)c1nnn(C)n1 ZINC001179327300 781648004 /nfs/dbraw/zinc/64/80/04/781648004.db2.gz MJHVIEOWXMFXDP-IUCAKERBSA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001179431030 781648044 /nfs/dbraw/zinc/64/80/44/781648044.db2.gz MDWFUZGPJSAOKA-GUBZILKMSA-N 0 3 297.359 -1.665 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001179300216 781648054 /nfs/dbraw/zinc/64/80/54/781648054.db2.gz JXJLNOCGJXACLD-GUBZILKMSA-N 0 3 282.344 -1.553 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179327913 781648284 /nfs/dbraw/zinc/64/82/84/781648284.db2.gz SSRIGEQEEUAJEL-VGMNWLOBSA-N 0 3 295.347 -1.463 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001179431031 781648323 /nfs/dbraw/zinc/64/83/23/781648323.db2.gz MDWFUZGPJSAOKA-LPEHRKFASA-N 0 3 297.359 -1.665 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)CC(N)=O)[C@H]1C ZINC001179300747 781648408 /nfs/dbraw/zinc/64/84/08/781648408.db2.gz WUEICGJPPWIVCO-GUBZILKMSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179327908 781648538 /nfs/dbraw/zinc/64/85/38/781648538.db2.gz SSRIGEQEEUAJEL-CIUDSAMLSA-N 0 3 295.347 -1.463 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452012 781649052 /nfs/dbraw/zinc/64/90/52/781649052.db2.gz MAKCBZLUMXTEMK-CSMHCCOUSA-N 0 3 299.331 -2.105 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)CC2CC2)CCN1C(=O)C(N)=O ZINC001179446359 781649240 /nfs/dbraw/zinc/64/92/40/781649240.db2.gz JVULBSMZMSIOKF-ONGXEEELSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](NC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C1CC1 ZINC001179451671 781649451 /nfs/dbraw/zinc/64/94/51/781649451.db2.gz DFUJSAPFXCGMAC-QXEWZRGKSA-N 0 3 296.371 -1.035 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1C ZINC001179421365 781649633 /nfs/dbraw/zinc/64/96/33/781649633.db2.gz UUNRJCHJQVBMMY-IUCAKERBSA-N 0 3 293.327 -1.292 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446392 781649846 /nfs/dbraw/zinc/64/98/46/781649846.db2.gz KVCDZRUSJSXNFU-UTLUCORTSA-N 0 3 284.360 -1.035 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H](COC)OC)[C@H]1C ZINC001179503079 781649866 /nfs/dbraw/zinc/64/98/66/781649866.db2.gz NJZYVWFIQRDIRG-GARJFASQSA-N 0 3 287.360 -1.027 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)C(N)=O ZINC001179446664 781649904 /nfs/dbraw/zinc/64/99/04/781649904.db2.gz YMSMPFNPZHIFRX-YUMQZZPRSA-N 0 3 256.306 -1.861 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001179544113 781650750 /nfs/dbraw/zinc/65/07/50/781650750.db2.gz WEBJCJPTZSVNEE-VLEAKVRGSA-N 0 3 296.371 -1.225 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)CC(=O)N(C)C ZINC001179682548 781652334 /nfs/dbraw/zinc/65/23/34/781652334.db2.gz KRLLWWISLZZKMT-GARJFASQSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C ZINC001179678746 781652587 /nfs/dbraw/zinc/65/25/87/781652587.db2.gz VPUPDHFMRAKJHI-UWVGGRQHSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C ZINC001179706523 781652720 /nfs/dbraw/zinc/65/27/20/781652720.db2.gz CGBWMHIAYACPQH-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C(=O)NCC1CC1 ZINC001179807079 781653143 /nfs/dbraw/zinc/65/31/43/781653143.db2.gz QTRQDDAPPKUYAB-WPRPVWTQSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1C ZINC001179963515 781653866 /nfs/dbraw/zinc/65/38/66/781653866.db2.gz OIBNHRBGRZXTIX-RCWTZXSCSA-N 0 3 296.371 -1.022 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001180092527 781654274 /nfs/dbraw/zinc/65/42/74/781654274.db2.gz VUSVCKHEJKDTLM-VWYCJHECSA-N 0 3 294.359 -1.008 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCNC(N)=O ZINC001180096185 781654617 /nfs/dbraw/zinc/65/46/17/781654617.db2.gz KKFKKRCYBSOFAB-YUMQZZPRSA-N 0 3 271.321 -1.891 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CCNC(N)=O ZINC001180096383 781654819 /nfs/dbraw/zinc/65/48/19/781654819.db2.gz PYNLEIXTQXJTSW-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)Cn1cncn1 ZINC001180091892 781655137 /nfs/dbraw/zinc/65/51/37/781655137.db2.gz KHSIKXRQZHQEJM-QWRGUYRKSA-N 0 3 294.359 -1.055 20 0 CAADHN CN1CCC(CO)(NC(=O)Cc2nc(N)n[nH]2)CC1 ZINC001180252267 781658637 /nfs/dbraw/zinc/65/86/37/781658637.db2.gz ZRJSZNMKOIYAFA-UHFFFAOYSA-N 0 3 268.321 -1.498 20 0 CAADHN CN1CCC(CO)(NC(=O)C2=NNC(=O)CC2)CC1 ZINC001180262593 781659665 /nfs/dbraw/zinc/65/96/65/781659665.db2.gz ALPPNSMCPGDZSH-UHFFFAOYSA-N 0 3 268.317 -1.175 20 0 CAADHN CN(C)C1(C)CN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001180380182 781661181 /nfs/dbraw/zinc/66/11/81/781661181.db2.gz FNXMTBXXFVCRRR-UHFFFAOYSA-N 0 3 254.290 -1.299 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)CN1C(=O)CNC1=O ZINC001180384163 781662172 /nfs/dbraw/zinc/66/21/72/781662172.db2.gz DXAJYEVELXEINY-SECBINFHSA-N 0 3 284.316 -1.673 20 0 CAADHN CN1CCC(CO)(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001180388125 781664401 /nfs/dbraw/zinc/66/44/01/781664401.db2.gz OBPLZVYAJPUPOW-UHFFFAOYSA-N 0 3 284.316 -1.889 20 0 CAADHN CCN(CC)CC(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001180389967 781664537 /nfs/dbraw/zinc/66/45/37/781664537.db2.gz SOJBNNMWTDCMBM-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001180390904 781664556 /nfs/dbraw/zinc/66/45/56/781664556.db2.gz JRBVRMYYKQUPIO-RGHQJQCBSA-N 0 3 292.332 -2.756 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001180390471 781665360 /nfs/dbraw/zinc/66/53/60/781665360.db2.gz WKPVESVOFWABOY-IQIPOGNMSA-N 0 3 260.334 -1.453 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@H]2CSCC(=O)N2)CC1 ZINC001180555822 781668939 /nfs/dbraw/zinc/66/89/39/781668939.db2.gz WIDHKQIQUOSRBY-SECBINFHSA-N 0 3 287.385 -1.209 20 0 CAADHN C[C@H](C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21)N1CCCC1 ZINC001180585279 781669565 /nfs/dbraw/zinc/66/95/65/781669565.db2.gz KIEAKGURNVRFPU-RCWTZXSCSA-N 0 3 268.365 -2.010 20 0 CAADHN COCCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001180592733 781669953 /nfs/dbraw/zinc/66/99/53/781669953.db2.gz FFLKPJXYVKRVDF-MRVPVSSYSA-N 0 3 272.305 -1.592 20 0 CAADHN COCCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001180619300 781670036 /nfs/dbraw/zinc/67/00/36/781670036.db2.gz QYPXDQIGWOMCEB-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN COCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001180619299 781670417 /nfs/dbraw/zinc/67/04/17/781670417.db2.gz QYPXDQIGWOMCEB-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001180707221 781672419 /nfs/dbraw/zinc/67/24/19/781672419.db2.gz DNHORWVFLZGJIH-GHMZBOCLSA-N 0 3 282.344 -1.408 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001180707289 781672590 /nfs/dbraw/zinc/67/25/90/781672590.db2.gz GVTWVHZEFWGHDZ-MRVPVSSYSA-N 0 3 285.304 -2.492 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001180707150 781672907 /nfs/dbraw/zinc/67/29/07/781672907.db2.gz CKCFYMWSWKCHCE-LLVKDONJSA-N 0 3 282.344 -1.455 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 ZINC001180707435 781673823 /nfs/dbraw/zinc/67/38/23/781673823.db2.gz KJEDRFPDDLZDFZ-SNVBAGLBSA-N 0 3 291.373 -1.642 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180707688 781675266 /nfs/dbraw/zinc/67/52/66/781675266.db2.gz PTZNILYYXPCABQ-SECBINFHSA-N 0 3 256.306 -1.941 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001180722376 781676454 /nfs/dbraw/zinc/67/64/54/781676454.db2.gz AXQLMAVYMJFSQJ-IONNQARKSA-N 0 3 256.306 -1.813 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001180722664 781676721 /nfs/dbraw/zinc/67/67/21/781676721.db2.gz IAZYEENRGRNTAI-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN Cc1nc(C)c(CC(=O)NCCN[C@H](C)C(N)=O)c(=O)[nH]1 ZINC001150972375 781676775 /nfs/dbraw/zinc/67/67/75/781676775.db2.gz SKPBIQADNRLJDQ-MRVPVSSYSA-N 0 3 295.343 -1.079 20 0 CAADHN Cc1nc(C)c(CC(=O)NCCN[C@@H](C)C(N)=O)c(=O)[nH]1 ZINC001150972376 781677277 /nfs/dbraw/zinc/67/72/77/781677277.db2.gz SKPBIQADNRLJDQ-QMMMGPOBSA-N 0 3 295.343 -1.079 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001180829350 781677767 /nfs/dbraw/zinc/67/77/67/781677767.db2.gz XTTCFKIGZHRZTF-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001180828297 781678027 /nfs/dbraw/zinc/67/80/27/781678027.db2.gz LLIWAWKVWGZTHN-CMPLNLGQSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001180827697 781678340 /nfs/dbraw/zinc/67/83/40/781678340.db2.gz GLAROYBWCIXXMW-WCBMZHEXSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001180817236 781678770 /nfs/dbraw/zinc/67/87/70/781678770.db2.gz MQKVZTKAXPRXMQ-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001180817191 781678816 /nfs/dbraw/zinc/67/88/16/781678816.db2.gz MJEMAYVBABSGCG-RKDXNWHRSA-N 0 3 284.316 -1.449 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)c(=O)[nH]c1=O)C(N)=O ZINC001150978551 781678912 /nfs/dbraw/zinc/67/89/12/781678912.db2.gz UHLCTXURSAXOTF-LURJTMIESA-N 0 3 283.288 -2.321 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001180828487 781679025 /nfs/dbraw/zinc/67/90/25/781679025.db2.gz LVVJMASSVJKMAF-VXNVDRBHSA-N 0 3 299.331 -2.104 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001180829300 781679087 /nfs/dbraw/zinc/67/90/87/781679087.db2.gz WMECSNNSHLHWRB-VXNVDRBHSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001180871228 781680718 /nfs/dbraw/zinc/68/07/18/781680718.db2.gz RQXZXYSZYOIHFM-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180870229 781680798 /nfs/dbraw/zinc/68/07/98/781680798.db2.gz BJXRCSCSWQCWII-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CNC(N)=O)C1)C(N)=O ZINC001180905942 781680858 /nfs/dbraw/zinc/68/08/58/781680858.db2.gz GZNLACUWPWGFJR-HTQZYQBOSA-N 0 3 271.321 -1.891 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180855001 781680961 /nfs/dbraw/zinc/68/09/61/781680961.db2.gz GPARMPMUMIFLAF-SSDOTTSWSA-N 0 3 296.291 -2.942 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)Cn2cnnn2)C1)C(=O)N(C)C ZINC001180870876 781681155 /nfs/dbraw/zinc/68/11/55/781681155.db2.gz LWWHXEIETDAFMV-NXEZZACHSA-N 0 3 295.347 -1.660 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CNC(N)=O)C1)C(N)=O ZINC001180905943 781681555 /nfs/dbraw/zinc/68/15/55/781681555.db2.gz GZNLACUWPWGFJR-SFYZADRCSA-N 0 3 271.321 -1.891 20 0 CAADHN CN1CCC[C@@H](N[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001180905426 781681619 /nfs/dbraw/zinc/68/16/19/781681619.db2.gz AMOATAJCMDCSJV-NXEZZACHSA-N 0 3 297.359 -1.534 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180855783 781681643 /nfs/dbraw/zinc/68/16/43/781681643.db2.gz YMUPRWKNTKGJAD-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180905490 781681673 /nfs/dbraw/zinc/68/16/73/781681673.db2.gz DNFYFBBXBFGYEL-JGVFFNPUSA-N 0 3 271.321 -2.020 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CNC(N)=O)C1)C(=O)N(C)C ZINC001180907079 781682185 /nfs/dbraw/zinc/68/21/85/781682185.db2.gz RIRAVLAEXNRPMK-RKDXNWHRSA-N 0 3 285.348 -1.678 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001180907139 781682347 /nfs/dbraw/zinc/68/23/47/781682347.db2.gz RVOHAQYESWYWHO-SFYZADRCSA-N 0 3 297.315 -2.350 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001180906359 781682477 /nfs/dbraw/zinc/68/24/77/781682477.db2.gz LJGUTEFZSZHLCB-BDAKNGLRSA-N 0 3 283.332 -1.876 20 0 CAADHN Cn1cc(CN[C@@H]2CCN(C(=O)CNC(N)=O)C2)cn1 ZINC001180897132 781682721 /nfs/dbraw/zinc/68/27/21/781682721.db2.gz CCPNERGNCPHDSG-SNVBAGLBSA-N 0 3 280.332 -1.221 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001180913067 781682734 /nfs/dbraw/zinc/68/27/34/781682734.db2.gz GNDWLVKUZRBUQA-BDAKNGLRSA-N 0 3 283.332 -1.924 20 0 CAADHN CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180907650 781682846 /nfs/dbraw/zinc/68/28/46/781682846.db2.gz UBQNLSDGMPAPBA-SNVBAGLBSA-N 0 3 299.375 -1.383 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180912457 781682999 /nfs/dbraw/zinc/68/29/99/781682999.db2.gz BGHZWAWFSSBYQV-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CNC(N)=O)C1)C(N)=O ZINC001180906480 781683067 /nfs/dbraw/zinc/68/30/67/781683067.db2.gz NFDXYTMRCFKTCR-RNFRBKRXSA-N 0 3 257.294 -2.281 20 0 CAADHN CCCC[C@@H](N[C@@H]1CCN(C(=O)CNC(N)=O)C1)C(N)=O ZINC001180913059 781683092 /nfs/dbraw/zinc/68/30/92/781683092.db2.gz GEWLRULTWCANAP-NXEZZACHSA-N 0 3 299.375 -1.111 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001180897562 781683949 /nfs/dbraw/zinc/68/39/49/781683949.db2.gz MRMHJQUOMTTXCD-SNVBAGLBSA-N 0 3 297.359 -1.532 20 0 CAADHN Cn1cncc1CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897938 781684320 /nfs/dbraw/zinc/68/43/20/781684320.db2.gz XVSJUAHNXLUGHJ-SECBINFHSA-N 0 3 280.332 -1.221 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cc[nH]n2)C1)C(=O)NC(N)=O ZINC001181097779 781685235 /nfs/dbraw/zinc/68/52/35/781685235.db2.gz NOQJWKHVSJEJQU-JGVFFNPUSA-N 0 3 294.315 -1.203 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cc[nH]n2)C1)C(=O)NC(N)=O ZINC001181097778 781685424 /nfs/dbraw/zinc/68/54/24/781685424.db2.gz NOQJWKHVSJEJQU-HTQZYQBOSA-N 0 3 294.315 -1.203 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001181006996 781685709 /nfs/dbraw/zinc/68/57/09/781685709.db2.gz ZUXSLYMMGOYDCA-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001181080939 781686818 /nfs/dbraw/zinc/68/68/18/781686818.db2.gz DRIBYMLDPIGMRK-MRVPVSSYSA-N 0 3 251.290 -1.040 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001181075978 781686990 /nfs/dbraw/zinc/68/69/90/781686990.db2.gz LZRANEOCCINWEK-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001181131122 781687373 /nfs/dbraw/zinc/68/73/73/781687373.db2.gz MFKYRXMOHKZMLT-WCBMZHEXSA-N 0 3 270.333 -1.471 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001181131088 781687680 /nfs/dbraw/zinc/68/76/80/781687680.db2.gz KUCORTVZUQQYGN-NEPJUHHUSA-N 0 3 296.371 -1.114 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2CC(=O)N(C)C(=O)N2)CC1 ZINC001181137255 781689462 /nfs/dbraw/zinc/68/94/62/781689462.db2.gz OCJYROLJJJHMPM-VIFPVBQESA-N 0 3 298.343 -1.500 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC001181153820 781690015 /nfs/dbraw/zinc/69/00/15/781690015.db2.gz IMLSATMSQZCDCN-ZJUUUORDSA-N 0 3 298.343 -1.059 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001181279696 781690127 /nfs/dbraw/zinc/69/01/27/781690127.db2.gz LYILOUZVCGVCRR-JGVFFNPUSA-N 0 3 272.305 -1.593 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001181279695 781690225 /nfs/dbraw/zinc/69/02/25/781690225.db2.gz LYILOUZVCGVCRR-HTQZYQBOSA-N 0 3 272.305 -1.593 20 0 CAADHN CCO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181154423 781690376 /nfs/dbraw/zinc/69/03/76/781690376.db2.gz SXLZCXPKGUFKBA-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CCO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181154425 781690450 /nfs/dbraw/zinc/69/04/50/781690450.db2.gz SXLZCXPKGUFKBA-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001181242792 781690590 /nfs/dbraw/zinc/69/05/90/781690590.db2.gz NDBKVDYDDOEJOW-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cn[nH]c2)C1)C(=O)NC(N)=O ZINC001181177281 781690795 /nfs/dbraw/zinc/69/07/95/781690795.db2.gz JPWSGMNSNBXXNT-VXNVDRBHSA-N 0 3 294.315 -1.203 20 0 CAADHN O=C(CNC(=O)C1CC1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001181242779 781690951 /nfs/dbraw/zinc/69/09/51/781690951.db2.gz MSFILRGEHBTPDE-MNOVXSKESA-N 0 3 294.355 -1.408 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1)C(N)=O ZINC001181225347 781690972 /nfs/dbraw/zinc/69/09/72/781690972.db2.gz COUGUXOGHJSMSF-WCBMZHEXSA-N 0 3 282.344 -1.423 20 0 CAADHN CO[C@H](C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001181325168 781691363 /nfs/dbraw/zinc/69/13/63/781691363.db2.gz JCIWWEGXVJEFHW-IWSPIJDZSA-N 0 3 286.332 -1.205 20 0 CAADHN CO[C@@H](C)C(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001181324877 781691457 /nfs/dbraw/zinc/69/14/57/781691457.db2.gz JCIWWEGXVJEFHW-HRDYMLBCSA-N 0 3 286.332 -1.205 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001181294235 781691585 /nfs/dbraw/zinc/69/15/85/781691585.db2.gz DIJNHLCZOVKRBR-RKDXNWHRSA-N 0 3 284.316 -1.579 20 0 CAADHN CO[C@@H](C)C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001181302726 781692007 /nfs/dbraw/zinc/69/20/07/781692007.db2.gz VHUNEAWTCNDZMU-VHSXEESVSA-N 0 3 293.389 -1.239 20 0 CAADHN Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)[nH]n1 ZINC001181286764 781692049 /nfs/dbraw/zinc/69/20/49/781692049.db2.gz GOCNMJAEEPVAQP-MRVPVSSYSA-N 0 3 294.315 -1.283 20 0 CAADHN Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)n[nH]1 ZINC001181286764 781692054 /nfs/dbraw/zinc/69/20/54/781692054.db2.gz GOCNMJAEEPVAQP-MRVPVSSYSA-N 0 3 294.315 -1.283 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001181295638 781692312 /nfs/dbraw/zinc/69/23/12/781692312.db2.gz YOQNVSDZTVXVLA-SSDOTTSWSA-N 0 3 258.278 -1.982 20 0 CAADHN CCCC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001181369583 781692672 /nfs/dbraw/zinc/69/26/72/781692672.db2.gz KPBMHGJWURWMPJ-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CCCC(=O)NCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001181369971 781692976 /nfs/dbraw/zinc/69/29/76/781692976.db2.gz PHGLDNHIXPAFAP-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001181412983 781693069 /nfs/dbraw/zinc/69/30/69/781693069.db2.gz STCRPRHIPXTYEU-RKDXNWHRSA-N 0 3 284.316 -1.592 20 0 CAADHN CCCC(=O)NCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001181369969 781693446 /nfs/dbraw/zinc/69/34/46/781693446.db2.gz PHGLDNHIXPAFAP-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001181325613 781693549 /nfs/dbraw/zinc/69/35/49/781693549.db2.gz LFXALTDIKLLKEJ-RKDXNWHRSA-N 0 3 291.373 -1.644 20 0 CAADHN CO[C@@H](C)CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181569910 781694542 /nfs/dbraw/zinc/69/45/42/781694542.db2.gz PIXYPTBOKQOOMP-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN COCCC1(NC(=O)CC(N)=O)CCN(CCO)CC1 ZINC001151037727 781694979 /nfs/dbraw/zinc/69/49/79/781694979.db2.gz SSBFAIBWFWDSBJ-UHFFFAOYSA-N 0 3 287.360 -1.159 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181600309 781695469 /nfs/dbraw/zinc/69/54/69/781695469.db2.gz ZCFOPLBYTIYGDC-HTQZYQBOSA-N 0 3 297.315 -2.350 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001181681932 781695482 /nfs/dbraw/zinc/69/54/82/781695482.db2.gz UPFIAAZJLWAKEQ-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001181599366 781695491 /nfs/dbraw/zinc/69/54/91/781695491.db2.gz PXIBZHWTTDFJBJ-GHMZBOCLSA-N 0 3 294.355 -1.266 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001181591064 781695591 /nfs/dbraw/zinc/69/55/91/781695591.db2.gz XHGHFDNWARJWCK-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001181591065 781695892 /nfs/dbraw/zinc/69/58/92/781695892.db2.gz XHGHFDNWARJWCK-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN Cc1nc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)c[nH]1 ZINC001181608901 781695927 /nfs/dbraw/zinc/69/59/27/781695927.db2.gz JVWKQNIHHPNDKZ-MRVPVSSYSA-N 0 3 294.315 -1.283 20 0 CAADHN COC[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181627961 781696146 /nfs/dbraw/zinc/69/61/46/781696146.db2.gz WNJASVVOTJOAIJ-RKDXNWHRSA-N 0 3 286.332 -1.346 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181681317 781696256 /nfs/dbraw/zinc/69/62/56/781696256.db2.gz LOPUSYWXZQIBAQ-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001181578724 781696372 /nfs/dbraw/zinc/69/63/72/781696372.db2.gz DQPLDKFCKSBUHM-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181599768 781696578 /nfs/dbraw/zinc/69/65/78/781696578.db2.gz RKFGGBMLOUDTPK-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001181681589 781696656 /nfs/dbraw/zinc/69/66/56/781696656.db2.gz QMKQUJZYUJHMHZ-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN COCCOCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001181708751 781697447 /nfs/dbraw/zinc/69/74/47/781697447.db2.gz COJJTBVWHKCOSH-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001181680961 781697507 /nfs/dbraw/zinc/69/75/07/781697507.db2.gz CWMMWHVTRWFWNI-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001181716721 781697924 /nfs/dbraw/zinc/69/79/24/781697924.db2.gz SMNQHVPUOQSENB-MRVPVSSYSA-N 0 3 278.316 -1.391 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181761086 781698560 /nfs/dbraw/zinc/69/85/60/781698560.db2.gz VJECOWALCLSVHQ-JGVFFNPUSA-N 0 3 256.306 -1.813 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)COCCOC)C1 ZINC001181698901 781699063 /nfs/dbraw/zinc/69/90/63/781699063.db2.gz RCYJPYYHVRAOBI-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CN(CC1CC1)C(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181761280 781699116 /nfs/dbraw/zinc/69/91/16/781699116.db2.gz YURRFUTZYLLHDL-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)N(C)C ZINC001181761246 781699419 /nfs/dbraw/zinc/69/94/19/781699419.db2.gz XTTGBPYOGBCINQ-RKDXNWHRSA-N 0 3 270.333 -1.471 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001181780508 781700009 /nfs/dbraw/zinc/70/00/09/781700009.db2.gz VIMIPRUMLJIELA-SNVBAGLBSA-N 0 3 265.317 -1.111 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)NC(N)=O ZINC001181780295 781700125 /nfs/dbraw/zinc/70/01/25/781700125.db2.gz UPMLSEFTEYHBSN-RNFRBKRXSA-N 0 3 285.304 -2.364 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181769780 781700469 /nfs/dbraw/zinc/70/04/69/781700469.db2.gz QNNUQDXXIQMBHM-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)NC1CC1 ZINC001181779539 781700557 /nfs/dbraw/zinc/70/05/57/781700557.db2.gz KRFWGJNNEPZGBP-WCBMZHEXSA-N 0 3 282.344 -1.281 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001181822598 781701288 /nfs/dbraw/zinc/70/12/88/781701288.db2.gz SHPJZYNCJIZXPF-MNOVXSKESA-N 0 3 284.360 -1.747 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001181821858 781701670 /nfs/dbraw/zinc/70/16/70/781701670.db2.gz JKVYPUONQRXATB-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN Cc1ncoc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181860683 781702289 /nfs/dbraw/zinc/70/22/89/781702289.db2.gz SCTUJNGRYOBQGW-MRVPVSSYSA-N 0 3 295.299 -1.018 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001181979020 781702555 /nfs/dbraw/zinc/70/25/55/781702555.db2.gz LIJNMUGKJXJXHY-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001182002529 781702846 /nfs/dbraw/zinc/70/28/46/781702846.db2.gz UNUKQNAAMQRVEU-WYUUTHIRSA-N 0 3 282.392 -1.620 20 0 CAADHN CN1CCC(O)(C(=O)N2CCCNC(=O)C2)CC1 ZINC001182027565 781703705 /nfs/dbraw/zinc/70/37/05/781703705.db2.gz DEDVZQWAGWLYSS-UHFFFAOYSA-N 0 3 255.318 -1.208 20 0 CAADHN CCC(CO)(CO)NC(=O)C1(O)CCN(C)CC1 ZINC001182031783 781704414 /nfs/dbraw/zinc/70/44/14/781704414.db2.gz FELUZUNFVUULAZ-UHFFFAOYSA-N 0 3 260.334 -1.307 20 0 CAADHN CN1CCC(O)(C(=O)NCCn2ccnn2)CC1 ZINC001182029565 781704492 /nfs/dbraw/zinc/70/44/92/781704492.db2.gz WKHFOQNNKDNXTR-UHFFFAOYSA-N 0 3 253.306 -1.149 20 0 CAADHN CN1CCC(O)(C(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC001182031741 781704525 /nfs/dbraw/zinc/70/45/25/781704525.db2.gz DNGJSOGOVMIXGP-SECBINFHSA-N 0 3 271.317 -1.844 20 0 CAADHN COC(=O)[C@H]1CN(C)CCN1C(=O)C1(O)CCN(C)CC1 ZINC001182034786 781704531 /nfs/dbraw/zinc/70/45/31/781704531.db2.gz UWRCZTXIZFJJSM-LLVKDONJSA-N 0 3 299.371 -1.241 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C1(O)CCN(C)CC1 ZINC001182033837 781704707 /nfs/dbraw/zinc/70/47/07/781704707.db2.gz ZWVQATNMSYWCKH-SECBINFHSA-N 0 3 255.318 -1.210 20 0 CAADHN CN1CCC(O)(C(=O)N2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001182033661 781704717 /nfs/dbraw/zinc/70/47/17/781704717.db2.gz NTMNOPDTHCPQHP-LLVKDONJSA-N 0 3 297.355 -1.487 20 0 CAADHN CN1CCC(O)(C(=O)NC2CN(S(C)(=O)=O)C2)CC1 ZINC001182034383 781704978 /nfs/dbraw/zinc/70/49/78/781704978.db2.gz VDJOCVAFRGCLLI-UHFFFAOYSA-N 0 3 291.373 -1.797 20 0 CAADHN CN1CCC(O)(C(=O)NC[C@H]2CNC(=O)O2)CC1 ZINC001182036474 781705106 /nfs/dbraw/zinc/70/51/06/781705106.db2.gz CQFQJKLRLTUADP-QMMMGPOBSA-N 0 3 257.290 -1.332 20 0 CAADHN CN1CCC(O)(C(=O)Nc2c[nH]nc2C(N)=O)CC1 ZINC001182029513 781705392 /nfs/dbraw/zinc/70/53/92/781705392.db2.gz UQWRAHOWLDGOKX-UHFFFAOYSA-N 0 3 267.289 -1.096 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C1(O)CCN(C)CC1 ZINC001182033838 781705491 /nfs/dbraw/zinc/70/54/91/781705491.db2.gz ZWVQATNMSYWCKH-VIFPVBQESA-N 0 3 255.318 -1.210 20 0 CAADHN CN1CCC(O)(C(=O)NC[C@@H]2CNC(=O)O2)CC1 ZINC001182036473 781705544 /nfs/dbraw/zinc/70/55/44/781705544.db2.gz CQFQJKLRLTUADP-MRVPVSSYSA-N 0 3 257.290 -1.332 20 0 CAADHN CN1CCC(O)(C(=O)Nc2cc(=O)n(C)c(=O)[nH]2)CC1 ZINC001182035708 781705605 /nfs/dbraw/zinc/70/56/05/781705605.db2.gz AYEOVMOWMIPDRH-UHFFFAOYSA-N 0 3 282.300 -1.119 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001182016704 781706165 /nfs/dbraw/zinc/70/61/65/781706165.db2.gz VMBLMBBBAQZTGC-SECBINFHSA-N 0 3 265.317 -1.030 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001182120509 781707581 /nfs/dbraw/zinc/70/75/81/781707581.db2.gz BSPXZAPRUGKVMK-DTWKUNHWSA-N 0 3 296.331 -1.691 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccn(C)n1)C(=O)NC(N)=O ZINC001151083721 781707726 /nfs/dbraw/zinc/70/77/26/781707726.db2.gz FPQXCEUKBASBJT-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1ccn(C)n1 ZINC001151083640 781707756 /nfs/dbraw/zinc/70/77/56/781707756.db2.gz AFKJPMLDMCTHPF-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001182122324 781708473 /nfs/dbraw/zinc/70/84/73/781708473.db2.gz XIUSYQUXIAPRJV-MRVPVSSYSA-N 0 3 282.304 -2.080 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001182122440 781708537 /nfs/dbraw/zinc/70/85/37/781708537.db2.gz ZESQYFPFOGHCFL-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN Cn1ccc(C(=O)NCCNCC(=O)N2CCOCC2)n1 ZINC001151084631 781708630 /nfs/dbraw/zinc/70/86/30/781708630.db2.gz PSFSELHIFLTCBR-UHFFFAOYSA-N 0 3 295.343 -1.402 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001182134539 781709646 /nfs/dbraw/zinc/70/96/46/781709646.db2.gz PUPOBJVZERKXGR-SECBINFHSA-N 0 3 294.359 -1.058 20 0 CAADHN CC(=O)N[C@H](CCO)C(=O)NC1(CO)CCN(C)CC1 ZINC001182144977 781712490 /nfs/dbraw/zinc/71/24/90/781712490.db2.gz ACODGCUDKXGUGL-LLVKDONJSA-N 0 3 287.360 -1.554 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001182145423 781712530 /nfs/dbraw/zinc/71/25/30/781712530.db2.gz PDRYCHYZVBKPLW-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](N[C@H](CC)C(N)=O)C1 ZINC001182145163 781712551 /nfs/dbraw/zinc/71/25/51/781712551.db2.gz JGRZYVAIKXISJT-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001182163458 781713111 /nfs/dbraw/zinc/71/31/11/781713111.db2.gz CJRWRYCXLAGXDZ-VHSXEESVSA-N 0 3 297.359 -1.534 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182164040 781713461 /nfs/dbraw/zinc/71/34/61/781713461.db2.gz MNPRDMDIJKZBDI-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001182157274 781713629 /nfs/dbraw/zinc/71/36/29/781713629.db2.gz WNCDQSWZTLTMEH-SNVBAGLBSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001182194766 781714634 /nfs/dbraw/zinc/71/46/34/781714634.db2.gz NPCTUMINCBNZNU-NKWVEPMBSA-N 0 3 257.294 -2.281 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1)C(N)=O ZINC001182193776 781714817 /nfs/dbraw/zinc/71/48/17/781714817.db2.gz CQJHEOBUEAUYPL-YIZRAAEISA-N 0 3 285.348 -1.502 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001182195315 781714833 /nfs/dbraw/zinc/71/48/33/781714833.db2.gz UEFRDBDUGFLFHK-DTWKUNHWSA-N 0 3 285.348 -1.678 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC001182204588 781715346 /nfs/dbraw/zinc/71/53/46/781715346.db2.gz RDBWLEXZRXMGLH-LLVKDONJSA-N 0 3 277.328 -1.044 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)C1 ZINC001182188221 781715458 /nfs/dbraw/zinc/71/54/58/781715458.db2.gz OUHZBEBXYPYRLP-GFCCVEGCSA-N 0 3 296.371 -1.257 20 0 CAADHN CO[C@@H](C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1)C1CC1 ZINC001182240796 781715761 /nfs/dbraw/zinc/71/57/61/781715761.db2.gz RIOXNIFZWFQYKC-MWLCHTKSSA-N 0 3 298.343 -1.203 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182267585 781716031 /nfs/dbraw/zinc/71/60/31/781716031.db2.gz MPYHLUNJOJNXKZ-RKDXNWHRSA-N 0 3 284.316 -1.579 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182257876 781716181 /nfs/dbraw/zinc/71/61/81/781716181.db2.gz BUSMUEQEQXSZAA-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001182248969 781716215 /nfs/dbraw/zinc/71/62/15/781716215.db2.gz DYUOGEVZEGQWML-SECBINFHSA-N 0 3 280.332 -1.293 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182268457 781716473 /nfs/dbraw/zinc/71/64/73/781716473.db2.gz SHDVTJRGVJEHQT-BDAKNGLRSA-N 0 3 284.316 -1.627 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001182195406 781716363 /nfs/dbraw/zinc/71/63/63/781716363.db2.gz VQSXBBJAJYHVSX-AEJSXWLSSA-N 0 3 297.359 -1.488 20 0 CAADHN CS(=O)(=O)CCNCCNC(=O)CN1CCCC1 ZINC001151096760 781716393 /nfs/dbraw/zinc/71/63/93/781716393.db2.gz FVNOJRXZWHOGEM-UHFFFAOYSA-N 0 3 277.390 -1.167 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182266722 781716514 /nfs/dbraw/zinc/71/65/14/781716514.db2.gz HPDKHGBBCCJFOJ-NXEZZACHSA-N 0 3 298.343 -1.190 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001182260245 781716630 /nfs/dbraw/zinc/71/66/30/781716630.db2.gz ZBMPUJJJZCFYKN-MRVPVSSYSA-N 0 3 266.305 -1.635 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001182250687 781716720 /nfs/dbraw/zinc/71/67/20/781716720.db2.gz VCZVVUZJTNFCKC-SNVBAGLBSA-N 0 3 292.343 -1.102 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182302974 781716728 /nfs/dbraw/zinc/71/67/28/781716728.db2.gz OLKPZIHGGCXWQO-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001182195410 781716890 /nfs/dbraw/zinc/71/68/90/781716890.db2.gz VQSXBBJAJYHVSX-IVZWLZJFSA-N 0 3 297.359 -1.488 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001182329545 781717602 /nfs/dbraw/zinc/71/76/02/781717602.db2.gz LOWBRIJMFBPFQI-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001182337201 781717731 /nfs/dbraw/zinc/71/77/31/781717731.db2.gz VRFRVMWQJLHXLV-SECBINFHSA-N 0 3 280.332 -1.152 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CCNC(=O)NC)C1)C(N)=O ZINC001182342670 781718021 /nfs/dbraw/zinc/71/80/21/781718021.db2.gz DIQJYGVUWSUQPI-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001182343495 781718340 /nfs/dbraw/zinc/71/83/40/781718340.db2.gz LMOOAOLOUKBNTD-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001182352455 781719253 /nfs/dbraw/zinc/71/92/53/781719253.db2.gz TXEFSCSFEKFSCS-MRVPVSSYSA-N 0 3 294.315 -1.331 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001182362487 781719436 /nfs/dbraw/zinc/71/94/36/781719436.db2.gz OYBCQVUYWIGLCA-SECBINFHSA-N 0 3 298.343 -1.323 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151173022 781721513 /nfs/dbraw/zinc/72/15/13/781721513.db2.gz BYFDVZMBGLLDAQ-UHFFFAOYSA-N 0 3 295.343 -1.089 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151173045 781721880 /nfs/dbraw/zinc/72/18/80/781721880.db2.gz CEZJVIHDVYKOMR-UHFFFAOYSA-N 0 3 281.316 -1.431 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC001182459418 781723279 /nfs/dbraw/zinc/72/32/79/781723279.db2.gz VKRNVLYJAKYXAT-SNVBAGLBSA-N 0 3 297.359 -1.532 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182623470 781724004 /nfs/dbraw/zinc/72/40/04/781724004.db2.gz OEIZFYURHKGHLO-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001182531061 781724197 /nfs/dbraw/zinc/72/41/97/781724197.db2.gz SNQOHHRFCQREBN-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CC(=O)N1CC[C@@H](NCC(N)=O)C1)NC(N)=O ZINC001182553970 781724431 /nfs/dbraw/zinc/72/44/31/781724431.db2.gz PQHUPFPMKGHBRR-HTQZYQBOSA-N 0 3 271.321 -1.891 20 0 CAADHN O=C(NC(CO)(CO)CO)[C@@H]1CCCN1CC1CC1 ZINC001182559580 781724995 /nfs/dbraw/zinc/72/49/95/781724995.db2.gz SDFSNNUEKWRTDH-NSHDSACASA-N 0 3 272.345 -1.307 20 0 CAADHN CCN(CCNCC(=O)NC(=O)NC)C(=O)c1cn[nH]n1 ZINC001273476578 781725763 /nfs/dbraw/zinc/72/57/63/781725763.db2.gz RTOJUYZJEYGREK-UHFFFAOYSA-N 0 3 297.319 -1.688 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001182661480 781725831 /nfs/dbraw/zinc/72/58/31/781725831.db2.gz MVXUFEVXOPLBJD-GMTAPVOTSA-N 0 3 296.371 -1.162 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001182773635 781727396 /nfs/dbraw/zinc/72/73/96/781727396.db2.gz PHXNCYGRFBLYIW-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001182802705 781727490 /nfs/dbraw/zinc/72/74/90/781727490.db2.gz MUUSWWFIHSNWRH-RKDXNWHRSA-N 0 3 286.332 -2.187 20 0 CAADHN O=C(C1CS(=O)(=O)C1)N(c1ncccn1)C1CNC1 ZINC001182814021 781728235 /nfs/dbraw/zinc/72/82/35/781728235.db2.gz XJCMSSMBWARAJS-UHFFFAOYSA-N 0 3 282.325 -1.174 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)CN(C)S(C)(=O)=O ZINC001182877138 781729411 /nfs/dbraw/zinc/72/94/11/781729411.db2.gz KDBUNADNDJZQAL-SNVBAGLBSA-N 0 3 293.389 -1.333 20 0 CAADHN N=c1ncc(CN)cn1C(=O)C1CS(=O)(=O)C1 ZINC001182817319 781730004 /nfs/dbraw/zinc/73/00/04/781730004.db2.gz UPXCAYQLHAQMIG-UHFFFAOYSA-N 0 3 256.287 -1.494 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182879790 781730403 /nfs/dbraw/zinc/73/04/03/781730403.db2.gz VPZVHMLOYFDJSM-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300790 781732198 /nfs/dbraw/zinc/73/21/98/781732198.db2.gz PYZLHLTUWSJECT-MRVPVSSYSA-N 0 3 292.361 -2.528 20 0 CAADHN O=C(NCCNCCF)[C@H]1CCS(=O)(=O)N1 ZINC001151301856 781732902 /nfs/dbraw/zinc/73/29/02/781732902.db2.gz XEBYRHHFSPNKLU-SSDOTTSWSA-N 0 3 253.299 -1.647 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)[C@H]1CCNC1=O ZINC001183001997 781733419 /nfs/dbraw/zinc/73/34/19/781733419.db2.gz OMPCNEOWVROYOO-UWVGGRQHSA-N 0 3 255.318 -1.089 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001182973873 781733818 /nfs/dbraw/zinc/73/38/18/781733818.db2.gz VCCMBXAHBUKQJM-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN COCC(=O)N(C)CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001183016611 781733872 /nfs/dbraw/zinc/73/38/72/781733872.db2.gz YHLMIMUSIYCXOI-SECBINFHSA-N 0 3 286.332 -2.233 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001182973435 781734425 /nfs/dbraw/zinc/73/44/25/781734425.db2.gz KKXXPNYVIKXDMB-VHSXEESVSA-N 0 3 282.344 -1.599 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001182973434 781734565 /nfs/dbraw/zinc/73/45/65/781734565.db2.gz KKXXPNYVIKXDMB-NXEZZACHSA-N 0 3 282.344 -1.599 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001183073036 781736810 /nfs/dbraw/zinc/73/68/10/781736810.db2.gz NWJNCXYCZKFDSZ-UWVGGRQHSA-N 0 3 270.333 -1.201 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151306173 781737659 /nfs/dbraw/zinc/73/76/59/781737659.db2.gz ARRXRZKDBWVSSK-SFYZADRCSA-N 0 3 292.361 -2.482 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151306171 781737920 /nfs/dbraw/zinc/73/79/20/781737920.db2.gz ARRXRZKDBWVSSK-HTQZYQBOSA-N 0 3 292.361 -2.482 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151306174 781738019 /nfs/dbraw/zinc/73/80/19/781738019.db2.gz ARRXRZKDBWVSSK-YUMQZZPRSA-N 0 3 292.361 -2.482 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001183055098 781738525 /nfs/dbraw/zinc/73/85/25/781738525.db2.gz OWMGNCXGCNAQNL-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001183059885 781738639 /nfs/dbraw/zinc/73/86/39/781738639.db2.gz MZOPTNVFFFKRKQ-HTQZYQBOSA-N 0 3 271.321 -2.020 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001183054937 781738738 /nfs/dbraw/zinc/73/87/38/781738738.db2.gz JZLQXNSEOVPSDY-SECBINFHSA-N 0 3 285.348 -1.806 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC(C)C)C1 ZINC001183054908 781738906 /nfs/dbraw/zinc/73/89/06/781738906.db2.gz IDKNOFQRJLLGGB-SNVBAGLBSA-N 0 3 299.375 -1.370 20 0 CAADHN Cc1cc(CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)n(C)n1 ZINC001183104613 781738958 /nfs/dbraw/zinc/73/89/58/781738958.db2.gz VPBMMIBCLKOLBE-AOOOYVTPSA-N 0 3 265.317 -1.253 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001183054686 781739030 /nfs/dbraw/zinc/73/90/30/781739030.db2.gz AZEYFXZYGUTRKZ-SNVBAGLBSA-N 0 3 297.359 -1.662 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001183054706 781739117 /nfs/dbraw/zinc/73/91/17/781739117.db2.gz CDEPSIPMGRYAJH-RKDXNWHRSA-N 0 3 283.332 -2.006 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CNC(=O)NC)C1)C(N)=O ZINC001183059876 781739151 /nfs/dbraw/zinc/73/91/51/781739151.db2.gz MNETXPSFXKJHLP-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCS(=O)(=O)N1)C(N)=O ZINC001151306851 781740007 /nfs/dbraw/zinc/74/00/07/781740007.db2.gz UXSUHTUWMZQPJO-HTQZYQBOSA-N 0 3 292.361 -2.352 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001183222073 781740093 /nfs/dbraw/zinc/74/00/93/781740093.db2.gz GPFUGEOUEGAGNE-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001183214205 781740145 /nfs/dbraw/zinc/74/01/45/781740145.db2.gz OJMFIHICUWBDLO-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCS(=O)(=O)N1)C(N)=O ZINC001151306854 781740216 /nfs/dbraw/zinc/74/02/16/781740216.db2.gz UXSUHTUWMZQPJO-YUMQZZPRSA-N 0 3 292.361 -2.352 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001183435389 781742455 /nfs/dbraw/zinc/74/24/55/781742455.db2.gz BDZDWKFVQRATCK-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1 ZINC001183368541 781742554 /nfs/dbraw/zinc/74/25/54/781742554.db2.gz GPFYDLACBJSICN-SECBINFHSA-N 0 3 293.327 -1.670 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001183361303 781742637 /nfs/dbraw/zinc/74/26/37/781742637.db2.gz OXIGMCRQBJQATQ-UMNHJUIQSA-N 0 3 285.344 -1.273 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001183435882 781742657 /nfs/dbraw/zinc/74/26/57/781742657.db2.gz GKVSEHFWQUFGGE-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(C)[C@H](C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21)N(C)C ZINC001183366634 781742786 /nfs/dbraw/zinc/74/27/86/781742786.db2.gz VERAQSWATRTVIT-ZRUFSTJUSA-N 0 3 270.381 -1.908 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001183344789 781742817 /nfs/dbraw/zinc/74/28/17/781742817.db2.gz FIUMVTBPULVPGU-SFYZADRCSA-N 0 3 297.315 -2.479 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183421925 781742897 /nfs/dbraw/zinc/74/28/97/781742897.db2.gz KCQNULUPUMOTNJ-SECBINFHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001183466311 781742963 /nfs/dbraw/zinc/74/29/63/781742963.db2.gz ZCGPOMVBRFYNCC-SECBINFHSA-N 0 3 279.300 -1.268 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001183449607 781743060 /nfs/dbraw/zinc/74/30/60/781743060.db2.gz ADODVXKJOGGQIH-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN COC1CC(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)C1 ZINC001183488145 781743098 /nfs/dbraw/zinc/74/30/98/781743098.db2.gz ROEVJMWXVPCOJH-HWOCKDDLSA-N 0 3 298.343 -1.203 20 0 CAADHN CC(C)[C@H](C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21)N(C)C ZINC001183366626 781743161 /nfs/dbraw/zinc/74/31/61/781743161.db2.gz VERAQSWATRTVIT-CHWFTXMASA-N 0 3 270.381 -1.908 20 0 CAADHN COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001183521479 781743667 /nfs/dbraw/zinc/74/36/67/781743667.db2.gz GJEIYLZLUUUZIC-NXEZZACHSA-N 0 3 296.327 -1.006 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183496167 781743823 /nfs/dbraw/zinc/74/38/23/781743823.db2.gz HFWPZMQQQUBMDJ-HBNTYKKESA-N 0 3 296.371 -1.020 20 0 CAADHN Cn1ccnc1COCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001183508663 781744236 /nfs/dbraw/zinc/74/42/36/781744236.db2.gz UCWHYUKYRKRKGM-SNVBAGLBSA-N 0 3 295.343 -1.388 20 0 CAADHN Cn1nccc1COCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001183570057 781745010 /nfs/dbraw/zinc/74/50/10/781745010.db2.gz YJVDZASOWMRDRC-SNVBAGLBSA-N 0 3 295.343 -1.388 20 0 CAADHN O=C(NC(CO)(CO)CO)C12CCCN1CCC2 ZINC001183558533 781745062 /nfs/dbraw/zinc/74/50/62/781745062.db2.gz IJTRDOQNRLOPDZ-UHFFFAOYSA-N 0 3 258.318 -1.553 20 0 CAADHN C[NH+](C)CCNC(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183654647 781746383 /nfs/dbraw/zinc/74/63/83/781746383.db2.gz JOTURFIICOJGAU-UHFFFAOYSA-N 0 3 258.253 -1.234 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2ccn(C)c(=O)c2)C1 ZINC001183682985 781747863 /nfs/dbraw/zinc/74/78/63/781747863.db2.gz FTUHXXLAMAUOMN-LLVKDONJSA-N 0 3 292.339 -1.065 20 0 CAADHN [NH3+]CC1(NC(=O)Cn2cc(F)c(=O)[n-]c2=O)COC1 ZINC001183662868 781748716 /nfs/dbraw/zinc/74/87/16/781748716.db2.gz QNTFHVPSZGZUQX-UHFFFAOYSA-N 0 3 272.236 -2.068 20 0 CAADHN O=C(Cn1cc(F)c(=O)[n-]c1=O)NCC[NH2+]CCO ZINC001183663900 781748981 /nfs/dbraw/zinc/74/89/81/781748981.db2.gz YTFWJRHBQUEYJV-UHFFFAOYSA-N 0 3 274.252 -2.214 20 0 CAADHN N=c1cc(C[NH3+])ncn1C(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183664042 781749486 /nfs/dbraw/zinc/74/94/86/781749486.db2.gz ZPLCBEZWDJECTA-UHFFFAOYSA-N 0 3 294.246 -1.437 20 0 CAADHN O=C(CCN1CCCC1=O)NCCNCC(=O)NC1CC1 ZINC001151353434 781754171 /nfs/dbraw/zinc/75/41/71/781754171.db2.gz ACTXZDNOIKECKU-UHFFFAOYSA-N 0 3 296.371 -1.017 20 0 CAADHN CN1CCC(CO)(NC(=O)C[C@@H]2NC(=O)CNC2=O)CC1 ZINC001183728224 781756264 /nfs/dbraw/zinc/75/62/64/781756264.db2.gz DJCPRBUSJIWVND-VIFPVBQESA-N 0 3 298.343 -2.436 20 0 CAADHN CN1CCC[C@@](C)(NC(=O)C[C@@H]2NC(=O)CNC2=O)C1 ZINC001183728281 781756472 /nfs/dbraw/zinc/75/64/72/781756472.db2.gz FEFULZYCBYWFMP-TVQRCGJNSA-N 0 3 282.344 -1.408 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001183827234 781758167 /nfs/dbraw/zinc/75/81/67/781758167.db2.gz WRQDZEQEKYLQSF-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001183794070 781758649 /nfs/dbraw/zinc/75/86/49/781758649.db2.gz UWQTZXCRMUYGII-SECBINFHSA-N 0 3 296.331 -2.482 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001183867662 781759144 /nfs/dbraw/zinc/75/91/44/781759144.db2.gz HTQJSPVPFXJFBJ-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](C)C(=O)NCC(=O)NCCN[C@@H]1CCNC1=O ZINC001151365920 781759168 /nfs/dbraw/zinc/75/91/68/781759168.db2.gz FRIASAQRENUXLI-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCNCc1cccnc1 ZINC001151372689 781759381 /nfs/dbraw/zinc/75/93/81/781759381.db2.gz DZBVBBXPOJQRJE-UHFFFAOYSA-N 0 3 286.357 -1.163 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001183903237 781759461 /nfs/dbraw/zinc/75/94/61/781759461.db2.gz RBJBEHUXBWQZSS-MRVPVSSYSA-N 0 3 266.305 -1.303 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001183912989 781759516 /nfs/dbraw/zinc/75/95/16/781759516.db2.gz RZMVABYLWCYODY-SSDOTTSWSA-N 0 3 295.303 -1.936 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001183867657 781759859 /nfs/dbraw/zinc/75/98/59/781759859.db2.gz HNCMXBRNYYSPPF-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@@H](C)C(=O)NCC(=O)NCCN[C@H]1CCNC1=O ZINC001151365923 781759896 /nfs/dbraw/zinc/75/98/96/781759896.db2.gz FRIASAQRENUXLI-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)c2cn[nH]n2)C1)NC1CC1 ZINC001183912601 781759905 /nfs/dbraw/zinc/75/99/05/781759905.db2.gz NIPPBFXOCZNRCE-SECBINFHSA-N 0 3 278.316 -1.113 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCNCC(=O)NC1CC1 ZINC001151373721 781759961 /nfs/dbraw/zinc/75/99/61/781759961.db2.gz UYSUUUGBOSVHAK-UHFFFAOYSA-N 0 3 292.361 -2.480 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN[C@@H](C)C(N)=O ZINC001151379403 781760712 /nfs/dbraw/zinc/76/07/12/781760712.db2.gz BTIQPBKXNWJQKC-LURJTMIESA-N 0 3 266.323 -2.885 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC001183991751 781760988 /nfs/dbraw/zinc/76/09/88/781760988.db2.gz AQUAREOBWXANPP-SECBINFHSA-N 0 3 265.317 -1.030 20 0 CAADHN Cn1cncc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183991826 781761032 /nfs/dbraw/zinc/76/10/32/781761032.db2.gz FJHHHXXLAMUOGV-MRVPVSSYSA-N 0 3 294.315 -1.581 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCNCC(=O)NC(N)=O ZINC001151379415 781761080 /nfs/dbraw/zinc/76/10/80/781761080.db2.gz CIHMUFHPQPFWOS-UHFFFAOYSA-N 0 3 295.321 -3.564 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CCCCNC(N)=O)C1)C(N)=O ZINC001184032292 781761109 /nfs/dbraw/zinc/76/11/09/781761109.db2.gz CRLCJALDWNYHOL-VHSXEESVSA-N 0 3 299.375 -1.111 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)C1(CO)COC1 ZINC001184044840 781761758 /nfs/dbraw/zinc/76/17/58/781761758.db2.gz ZXPZAZIHSYFNGQ-JTQLQIEISA-N 0 3 258.318 -1.216 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCCCNC(N)=O)C1 ZINC001184049587 781763307 /nfs/dbraw/zinc/76/33/07/781763307.db2.gz LVKODILOHKNDCP-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001184092421 781763443 /nfs/dbraw/zinc/76/34/43/781763443.db2.gz OQDXQMUXPMYVQT-MRVPVSSYSA-N 0 3 294.311 -1.071 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCCCNC(N)=O)C1 ZINC001184049327 781763468 /nfs/dbraw/zinc/76/34/68/781763468.db2.gz IAKKNNJAEOGWDD-SECBINFHSA-N 0 3 285.348 -1.499 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001151390763 781763999 /nfs/dbraw/zinc/76/39/99/781763999.db2.gz PQZPDPQCZVDQRX-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCNC/C=C/Cl ZINC001151390681 781765572 /nfs/dbraw/zinc/76/55/72/781765572.db2.gz MANPDKFZJJCGOM-NSCUHMNNSA-N 0 3 269.754 -1.006 20 0 CAADHN CCCS(=O)(=O)CC(=O)NCCN[C@H](C)C(=O)NC ZINC001151405171 781765966 /nfs/dbraw/zinc/76/59/66/781765966.db2.gz ODXGODGVALXBFE-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CS(=O)(=O)C(C)C ZINC001151404954 781766049 /nfs/dbraw/zinc/76/60/49/781766049.db2.gz IXTDBUHUQVORSH-VIFPVBQESA-N 0 3 293.389 -1.350 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(COC)CCOC2)C1 ZINC001184618518 781768329 /nfs/dbraw/zinc/76/83/29/781768329.db2.gz DFAFRZSWGYNMSM-BXUZGUMPSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1 ZINC001184432827 781768560 /nfs/dbraw/zinc/76/85/60/781768560.db2.gz AGDIGMFRYQFRJX-SECBINFHSA-N 0 3 293.327 -1.670 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001184594697 781768998 /nfs/dbraw/zinc/76/89/98/781768998.db2.gz USWKIPJIRHAJIX-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001184499963 781769059 /nfs/dbraw/zinc/76/90/59/781769059.db2.gz NSVUUCKICOLORW-QMTHXVAHSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001184499975 781769086 /nfs/dbraw/zinc/76/90/86/781769086.db2.gz NSVUUCKICOLORW-YGRLFVJLSA-N 0 3 296.371 -1.209 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001184619307 781770162 /nfs/dbraw/zinc/77/01/62/781770162.db2.gz RNISLIYIXLVDAB-SSDOTTSWSA-N 0 3 293.349 -3.284 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC001184660605 781770256 /nfs/dbraw/zinc/77/02/56/781770256.db2.gz RNOIGRMLXWZMGU-ZCFIWIBFSA-N 0 3 298.328 -1.463 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001184792878 781770570 /nfs/dbraw/zinc/77/05/70/781770570.db2.gz XGBCXLBQZKEAQU-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001184686691 781770655 /nfs/dbraw/zinc/77/06/55/781770655.db2.gz ZDBZKDPJKHJPHN-MRVPVSSYSA-N 0 3 295.299 -1.066 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184833711 781770665 /nfs/dbraw/zinc/77/06/65/781770665.db2.gz KCFFYOHBFKSWOV-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)n1 ZINC001184924428 781771187 /nfs/dbraw/zinc/77/11/87/781771187.db2.gz LBPQULGVVNRQNK-SECBINFHSA-N 0 3 293.331 -1.707 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001184843048 781771289 /nfs/dbraw/zinc/77/12/89/781771289.db2.gz XUPBXLCLGWQUAM-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184858261 781771309 /nfs/dbraw/zinc/77/13/09/781771309.db2.gz IWNFPCXLWCCOMJ-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001184868495 781771848 /nfs/dbraw/zinc/77/18/48/781771848.db2.gz VFTYMOWGOQQMBW-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001184868095 781771929 /nfs/dbraw/zinc/77/19/29/781771929.db2.gz QOYJHEDLEJZEGS-HTQZYQBOSA-N 0 3 256.306 -1.826 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001184841508 781771946 /nfs/dbraw/zinc/77/19/46/781771946.db2.gz KWCRXLYRVQCSOY-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001184867796 781771985 /nfs/dbraw/zinc/77/19/85/781771985.db2.gz KQTDXVCTHIXYJH-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001184841847 781772072 /nfs/dbraw/zinc/77/20/72/781772072.db2.gz NYGPTHFUYLOPOF-BDAKNGLRSA-N 0 3 283.332 -2.054 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1)NC1CC1 ZINC001184859117 781772113 /nfs/dbraw/zinc/77/21/13/781772113.db2.gz VQOYMDHJVSBTHK-GHMZBOCLSA-N 0 3 294.355 -1.408 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184943495 781772724 /nfs/dbraw/zinc/77/27/24/781772724.db2.gz AKVSQDMCYFPVGY-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184943886 781772863 /nfs/dbraw/zinc/77/28/63/781772863.db2.gz HXJDHDMDRXVLHJ-MXWKQRLJSA-N 0 3 296.371 -1.068 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184925841 781773002 /nfs/dbraw/zinc/77/30/02/781773002.db2.gz ZEJLXRUHPWDCOF-SECBINFHSA-N 0 3 295.347 -1.460 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184925143 781773282 /nfs/dbraw/zinc/77/32/82/781773282.db2.gz QMHZRAQENBYQCO-MRVPVSSYSA-N 0 3 281.320 -1.850 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185109427 781774226 /nfs/dbraw/zinc/77/42/26/781774226.db2.gz HXJDHDMDRXVLHJ-GMTAPVOTSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC001185077366 781774269 /nfs/dbraw/zinc/77/42/69/781774269.db2.gz BTLIZFZNMDXXMQ-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185110269 781774385 /nfs/dbraw/zinc/77/43/85/781774385.db2.gz RHQFPLYSCLDHOQ-NXEZZACHSA-N 0 3 282.344 -1.456 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185207650 781774539 /nfs/dbraw/zinc/77/45/39/781774539.db2.gz JLAKNBDWFKQBFV-MRVPVSSYSA-N 0 3 279.300 -1.680 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185257209 781777002 /nfs/dbraw/zinc/77/70/02/781777002.db2.gz OJGXUISKGIKVFQ-ZJUUUORDSA-N 0 3 297.359 -1.617 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185257671 781777469 /nfs/dbraw/zinc/77/74/69/781777469.db2.gz WQQCLMJLFOUXSB-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001185265966 781780786 /nfs/dbraw/zinc/78/07/86/781780786.db2.gz VHIWXVDFCPOFPV-NXEZZACHSA-N 0 3 295.343 -1.863 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185266031 781780870 /nfs/dbraw/zinc/78/08/70/781780870.db2.gz YAOIHDIHMJCQFF-BDAKNGLRSA-N 0 3 283.332 -2.006 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185266032 781782505 /nfs/dbraw/zinc/78/25/05/781782505.db2.gz YAOIHDIHMJCQFF-RKDXNWHRSA-N 0 3 283.332 -2.006 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185288987 781782964 /nfs/dbraw/zinc/78/29/64/781782964.db2.gz CYIQJSROVWLSNH-SECBINFHSA-N 0 3 282.344 -1.469 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289751 781783002 /nfs/dbraw/zinc/78/30/02/781783002.db2.gz SJXLRCCEGJVBKR-SNVBAGLBSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)C(=O)N(C)C ZINC001185288945 781783191 /nfs/dbraw/zinc/78/31/91/781783191.db2.gz BCADOOWZFDRNRR-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)CC1 ZINC001185290074 781783555 /nfs/dbraw/zinc/78/35/55/781783555.db2.gz YJTMHZYGHTWHPR-SNVBAGLBSA-N 0 3 294.355 -1.279 20 0 CAADHN CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185312865 781783865 /nfs/dbraw/zinc/78/38/65/781783865.db2.gz CKUGMEGCTJQZDQ-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN CCS(=O)(=O)CCCN[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185314174 781783899 /nfs/dbraw/zinc/78/38/99/781783899.db2.gz VUHHZQGZUWUNND-SECBINFHSA-N 0 3 291.373 -1.513 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289812 781784289 /nfs/dbraw/zinc/78/42/89/781784289.db2.gz VMWWTRSFNPDQGR-MRVPVSSYSA-N 0 3 268.317 -1.812 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001185305665 781784332 /nfs/dbraw/zinc/78/43/32/781784332.db2.gz YXOYRQVEJGUEHV-MRVPVSSYSA-N 0 3 292.361 -2.269 20 0 CAADHN Cc1nocc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001185343936 781786012 /nfs/dbraw/zinc/78/60/12/781786012.db2.gz RTRMLZCYIBHLFZ-MRVPVSSYSA-N 0 3 295.299 -1.018 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cccc(=O)n2C)C1 ZINC001185576493 781786584 /nfs/dbraw/zinc/78/65/84/781786584.db2.gz LSPUICCUZDFUDI-SNVBAGLBSA-N 0 3 292.339 -1.065 20 0 CAADHN COC[C@H](OC)C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001185540318 781786674 /nfs/dbraw/zinc/78/66/74/781786674.db2.gz YCTYKKOHCWLOQC-MNOVXSKESA-N 0 3 287.360 -1.074 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001185478092 781787162 /nfs/dbraw/zinc/78/71/62/781787162.db2.gz KNRKFGULVISRCS-ZCFIWIBFSA-N 0 3 298.278 -1.452 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001185600081 781787388 /nfs/dbraw/zinc/78/73/88/781787388.db2.gz KOJZZYZJJSZYJI-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001185633578 781787505 /nfs/dbraw/zinc/78/75/05/781787505.db2.gz QNWWXBFMWVLSMT-QMTHXVAHSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001185633903 781787632 /nfs/dbraw/zinc/78/76/32/781787632.db2.gz RKGIPECOWOMCIV-NOZJJQNGSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCc2cnn(C)n2)C1 ZINC001185689986 781788263 /nfs/dbraw/zinc/78/82/63/781788263.db2.gz PKULSNCZNCVNDB-LLVKDONJSA-N 0 3 294.359 -1.316 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185689461 781788906 /nfs/dbraw/zinc/78/89/06/781788906.db2.gz CIRFEZQSSOBHDN-MXWKQRLJSA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)CCOC ZINC001151498993 781789146 /nfs/dbraw/zinc/78/91/46/781789146.db2.gz YDBWPNQJPWSNGA-VIFPVBQESA-N 0 3 288.348 -1.180 20 0 CAADHN NC(=O)CNCCNC(=O)COc1ccc(C(N)=O)cc1 ZINC001151512674 781789916 /nfs/dbraw/zinc/78/99/16/781789916.db2.gz XHXYOHCDWRTZMN-UHFFFAOYSA-N 0 3 294.311 -1.645 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001185805776 781790633 /nfs/dbraw/zinc/79/06/33/781790633.db2.gz BCOVINYLBKWAPP-NXEZZACHSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@@H](C(=O)NCCN[C@@H]1CCNC1=O)N1CCCC1=O ZINC001151529358 781791006 /nfs/dbraw/zinc/79/10/06/781791006.db2.gz GKHGMQIZKYWWPT-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001185917689 781791367 /nfs/dbraw/zinc/79/13/67/781791367.db2.gz DOXRDHHBDGAFAW-MRVPVSSYSA-N 0 3 294.315 -1.662 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001185941071 781791732 /nfs/dbraw/zinc/79/17/32/781791732.db2.gz QONXDLFRIRJCLO-SFYZADRCSA-N 0 3 297.315 -2.479 20 0 CAADHN CN(C1CN(C(=O)CN2CC[C@H](O)C2)C1)[C@H]1CCOC1 ZINC001186044385 781793446 /nfs/dbraw/zinc/79/34/46/781793446.db2.gz GJZATBPVXCTWIT-AAEUAGOBSA-N 0 3 283.372 -1.016 20 0 CAADHN CCNC(=O)NC(C)(C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001186074647 781793748 /nfs/dbraw/zinc/79/37/48/781793748.db2.gz HZRVCXGJKZTNLA-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@H](C(=O)NCCN[C@@H](C)C(N)=O)N1CCCC1=O ZINC001151534553 781793937 /nfs/dbraw/zinc/79/39/37/781793937.db2.gz FQSUYGSXCPTBAX-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](C(=O)NCCN[C@H](C)C(N)=O)N1CCCC1=O ZINC001151534551 781794589 /nfs/dbraw/zinc/79/45/89/781794589.db2.gz FQSUYGSXCPTBAX-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@@H](C(=O)NCCN[C@H](C)C(N)=O)N1CCCC1=O ZINC001151534554 781794742 /nfs/dbraw/zinc/79/47/42/781794742.db2.gz FQSUYGSXCPTBAX-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)N1CCCC1=O ZINC001151534552 781794758 /nfs/dbraw/zinc/79/47/58/781794758.db2.gz FQSUYGSXCPTBAX-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)OCCOC)C1 ZINC001186058530 781798581 /nfs/dbraw/zinc/79/85/81/781798581.db2.gz ALOKDQLTRDJXIR-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN COCCO[C@H](C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001186059403 781798930 /nfs/dbraw/zinc/79/89/30/781798930.db2.gz LGCAIXUQIYHQNJ-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CN1CCC(CO)(NC(=O)CN2CC[C@H](O)C2)CC1 ZINC001186056072 781799115 /nfs/dbraw/zinc/79/91/15/781799115.db2.gz BQJPEZYQXHNQHV-NSHDSACASA-N 0 3 271.361 -1.374 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N1CC[C@@H](NCCF)C1)C(N)=O ZINC001186119935 781801901 /nfs/dbraw/zinc/80/19/01/781801901.db2.gz ZYTRZGLWNQWLEX-ZJUUUORDSA-N 0 3 288.323 -1.474 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N1CC[C@@H](NCC(N)=O)C1)C(N)=O ZINC001186119256 781802377 /nfs/dbraw/zinc/80/23/77/781802377.db2.gz ORTJCFAWDZQITG-BDAKNGLRSA-N 0 3 299.331 -2.958 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)CC1 ZINC001186339168 781803402 /nfs/dbraw/zinc/80/34/02/781803402.db2.gz OGHWYZWTWFQRSQ-RKDXNWHRSA-N 0 3 282.344 -1.423 20 0 CAADHN Cc1c[nH]c(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)n1 ZINC001186214452 781803501 /nfs/dbraw/zinc/80/35/01/781803501.db2.gz ZLMZIDORIAMYJJ-MRVPVSSYSA-N 0 3 294.315 -1.283 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186320989 781803540 /nfs/dbraw/zinc/80/35/40/781803540.db2.gz FHNKNESCPUIQKV-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001186258764 781803970 /nfs/dbraw/zinc/80/39/70/781803970.db2.gz FHAXZAJUWBGETA-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCNC(=O)C2CCC2)C1 ZINC001186274415 781804234 /nfs/dbraw/zinc/80/42/34/781804234.db2.gz FMWBBYAIPGJXJI-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001186268847 781804507 /nfs/dbraw/zinc/80/45/07/781804507.db2.gz ITKNZEMADJEWEP-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)CC1 ZINC001186339167 781804621 /nfs/dbraw/zinc/80/46/21/781804621.db2.gz OGHWYZWTWFQRSQ-DTWKUNHWSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001186258748 781804762 /nfs/dbraw/zinc/80/47/62/781804762.db2.gz FHAXZAJUWBGETA-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186312839 781804849 /nfs/dbraw/zinc/80/48/49/781804849.db2.gz ZSNNLPSPWYXGAD-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001186321233 781805116 /nfs/dbraw/zinc/80/51/16/781805116.db2.gz HUVWIQBCOVZKGW-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001186444736 781805616 /nfs/dbraw/zinc/80/56/16/781805616.db2.gz MGRUHZADKPKABA-JGVFFNPUSA-N 0 3 266.305 -1.257 20 0 CAADHN CS(=O)(=O)CCN[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001186473215 781806051 /nfs/dbraw/zinc/80/60/51/781806051.db2.gz QNZZGQWGBNJSLS-MRVPVSSYSA-N 0 3 288.329 -1.082 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001186384924 781806199 /nfs/dbraw/zinc/80/61/99/781806199.db2.gz ZEAIGJHSVBIVMM-GHMZBOCLSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001186384925 781806326 /nfs/dbraw/zinc/80/63/26/781806326.db2.gz ZEAIGJHSVBIVMM-MNOVXSKESA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001186339422 781806645 /nfs/dbraw/zinc/80/66/45/781806645.db2.gz WCFMFVHRYCYJDJ-NXEZZACHSA-N 0 3 296.371 -1.162 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186555098 781807226 /nfs/dbraw/zinc/80/72/26/781807226.db2.gz KDSNZMBOJRTSNA-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186562800 781807657 /nfs/dbraw/zinc/80/76/57/781807657.db2.gz PWWXXJRZIBGENF-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001186576524 781807916 /nfs/dbraw/zinc/80/79/16/781807916.db2.gz UDNYUTRRAZQISA-SECBINFHSA-N 0 3 265.317 -1.111 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186554802 781808055 /nfs/dbraw/zinc/80/80/55/781808055.db2.gz HBBYIVQSKUEOMP-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN CCn1cc(C(=O)N2CC[C@@H](NCC(=O)NC)C2)nn1 ZINC001186665487 781810644 /nfs/dbraw/zinc/81/06/44/781810644.db2.gz JPBXHPJTFTXWRV-SECBINFHSA-N 0 3 280.332 -1.152 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CCNC(=O)CC1 ZINC001273527574 781811589 /nfs/dbraw/zinc/81/15/89/781811589.db2.gz TWTQNCWQNVIYQQ-SNVBAGLBSA-N 0 3 284.360 -1.174 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001186811122 781812986 /nfs/dbraw/zinc/81/29/86/781812986.db2.gz CHMVVXZMZRKQNL-DTWKUNHWSA-N 0 3 256.306 -1.820 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001186818845 781813227 /nfs/dbraw/zinc/81/32/27/781813227.db2.gz IULHFGIUNFZNQN-IVZWLZJFSA-N 0 3 295.343 -1.924 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001186818846 781813425 /nfs/dbraw/zinc/81/34/25/781813425.db2.gz IULHFGIUNFZNQN-LPEHRKFASA-N 0 3 295.343 -1.924 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C2(C(=O)N(C)C)CC2)C1 ZINC001186980680 781814019 /nfs/dbraw/zinc/81/40/19/781814019.db2.gz CCADVBZXQOWIDQ-SNVBAGLBSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001187092094 781814249 /nfs/dbraw/zinc/81/42/49/781814249.db2.gz OASVNVBSPFZNPH-SNVBAGLBSA-N 0 3 279.344 -1.101 20 0 CAADHN CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](NCC(N)=O)C1)C1CC1 ZINC001187034594 781814647 /nfs/dbraw/zinc/81/46/47/781814647.db2.gz JRDXKJXJNLWLNK-BXUZGUMPSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)C2(C(=O)N(C)C)CC2)C1)C(N)=O ZINC001186994376 781814835 /nfs/dbraw/zinc/81/48/35/781814835.db2.gz JHDJMXOUNJAIGX-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C)C(=O)C1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1 ZINC001186995231 781815219 /nfs/dbraw/zinc/81/52/19/781815219.db2.gz XPYSKLGHTFDUAW-SECBINFHSA-N 0 3 282.344 -1.469 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001187213556 781815655 /nfs/dbraw/zinc/81/56/55/781815655.db2.gz IGRGTLOCSLPKNC-NEPJUHHUSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cccn(C)c2=O)C1 ZINC001187176879 781815774 /nfs/dbraw/zinc/81/57/74/781815774.db2.gz QXDSDUAEYHQDPM-SNVBAGLBSA-N 0 3 292.339 -1.065 20 0 CAADHN CCNC(=O)CCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187185141 781816030 /nfs/dbraw/zinc/81/60/30/781816030.db2.gz XBRZRLDHLVXZTF-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CCCNC(=O)CCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187194007 781816645 /nfs/dbraw/zinc/81/66/45/781816645.db2.gz PJXJYGOOJQNRIN-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220051 781816885 /nfs/dbraw/zinc/81/68/85/781816885.db2.gz COTNQLFUZBOLBQ-AEJSXWLSSA-N 0 3 282.344 -1.410 20 0 CAADHN CC(=O)N[C@@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)C(C)C ZINC001187253034 781817504 /nfs/dbraw/zinc/81/75/04/781817504.db2.gz KZMXZHGKRYNUNV-ZYHUDNBSSA-N 0 3 284.360 -1.177 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187428200 781820856 /nfs/dbraw/zinc/82/08/56/781820856.db2.gz MUMTUYNBRWVOOA-RKDXNWHRSA-N 0 3 285.348 -1.501 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001187427795 781821332 /nfs/dbraw/zinc/82/13/32/781821332.db2.gz CTQMPCOFQVSCSJ-OPRDCNLKSA-N 0 3 299.375 -1.112 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001187490572 781822427 /nfs/dbraw/zinc/82/24/27/781822427.db2.gz BBFZQIDMZZKQHE-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N(C)CCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187475671 781822875 /nfs/dbraw/zinc/82/28/75/781822875.db2.gz RKEXBIYDHSXXEO-LLVKDONJSA-N 0 3 284.360 -1.079 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001187628855 781824937 /nfs/dbraw/zinc/82/49/37/781824937.db2.gz OQFMMCIVRSGCNH-SECBINFHSA-N 0 3 293.327 -1.670 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187656497 781825403 /nfs/dbraw/zinc/82/54/03/781825403.db2.gz RPAFKTNFMPTQML-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001187667721 781826555 /nfs/dbraw/zinc/82/65/55/781826555.db2.gz SNIAIWFBWFANFR-GARJFASQSA-N 0 3 294.355 -1.456 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001273545514 781826778 /nfs/dbraw/zinc/82/67/78/781826778.db2.gz AKEAOMHPYJVMQY-VHSXEESVSA-N 0 3 284.360 -1.318 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698411 781826895 /nfs/dbraw/zinc/82/68/95/781826895.db2.gz DJACCZWFSGTAEX-SNVBAGLBSA-N 0 3 299.375 -1.240 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001187698799 781826930 /nfs/dbraw/zinc/82/69/30/781826930.db2.gz NBRJPAGYWOHQHU-BDAKNGLRSA-N 0 3 283.332 -1.876 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698948 781827076 /nfs/dbraw/zinc/82/70/76/781827076.db2.gz PRSQCCPUYHEAGW-SSDOTTSWSA-N 0 3 257.294 -2.279 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001273545745 781827257 /nfs/dbraw/zinc/82/72/57/781827257.db2.gz CRQHHWWDDORHOE-DTWKUNHWSA-N 0 3 270.333 -1.579 20 0 CAADHN CCNC(=O)CNCCN(CC)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001273545547 781827379 /nfs/dbraw/zinc/82/73/79/781827379.db2.gz AYMFMRZVMDKVEL-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187664003 781827437 /nfs/dbraw/zinc/82/74/37/781827437.db2.gz BVIMQGCOYKFDSR-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698989 781827712 /nfs/dbraw/zinc/82/77/12/781827712.db2.gz QFFUXZJNYJEVKU-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698619 781827783 /nfs/dbraw/zinc/82/77/83/781827783.db2.gz IURZOGZQNTWDHM-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001187698800 781827872 /nfs/dbraw/zinc/82/78/72/781827872.db2.gz NBRJPAGYWOHQHU-RKDXNWHRSA-N 0 3 283.332 -1.876 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001187698404 781827918 /nfs/dbraw/zinc/82/79/18/781827918.db2.gz CYVZYTKBGBQWCP-NXEZZACHSA-N 0 3 297.359 -1.486 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001187690158 781827946 /nfs/dbraw/zinc/82/79/46/781827946.db2.gz FEDXIXTXNJUHGF-LPEHRKFASA-N 0 3 270.333 -1.432 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001187664616 781828121 /nfs/dbraw/zinc/82/81/21/781828121.db2.gz VHPKJCJZQTYXQS-MRVPVSSYSA-N 0 3 297.315 -2.525 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187663988 781828181 /nfs/dbraw/zinc/82/81/81/781828181.db2.gz AYSARJVGFMEWJR-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCNC1=O ZINC001273546609 781828703 /nfs/dbraw/zinc/82/87/03/781828703.db2.gz PSUPLIGHZCZOMH-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CCNC(N)=O)C1)C(=O)N(C)C ZINC001187703868 781829039 /nfs/dbraw/zinc/82/90/39/781829039.db2.gz KEJUSRKINIAZRH-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CCNC1=O ZINC001273547317 781829110 /nfs/dbraw/zinc/82/91/10/781829110.db2.gz ZBHRDAAAFAFGOX-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001187699312 781829287 /nfs/dbraw/zinc/82/92/87/781829287.db2.gz YXHQABNSUABECX-SNVBAGLBSA-N 0 3 297.359 -1.486 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001187720124 781829374 /nfs/dbraw/zinc/82/93/74/781829374.db2.gz HZXUAUKKZBWNDE-LLVKDONJSA-N 0 3 292.339 -1.215 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CCNC1=O ZINC001273547314 781829498 /nfs/dbraw/zinc/82/94/98/781829498.db2.gz ZBHRDAAAFAFGOX-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@@H](C)C(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187901254 781830349 /nfs/dbraw/zinc/83/03/49/781830349.db2.gz BMYWEQILHATVGJ-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCN2CCCC2=O)C1 ZINC001187895459 781830882 /nfs/dbraw/zinc/83/08/82/781830882.db2.gz UVMOKHJFYZLNLW-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CC[C@H](C)C(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187901255 781831122 /nfs/dbraw/zinc/83/11/22/781831122.db2.gz BMYWEQILHATVGJ-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CC(=O)N1CC[C@H]2CN(CCO)C[C@H]21)NC(N)=O ZINC001187911370 781832089 /nfs/dbraw/zinc/83/20/89/781832089.db2.gz GKASZHGBFOJLER-GARJFASQSA-N 0 3 284.360 -1.042 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](NCCF)C1 ZINC001187914879 781832414 /nfs/dbraw/zinc/83/24/14/781832414.db2.gz AJGFVKSPQHQQJH-MRVPVSSYSA-N 0 3 267.326 -1.304 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC001187988646 781832653 /nfs/dbraw/zinc/83/26/53/781832653.db2.gz ORZMKPGKYWSTLY-SNVBAGLBSA-N 0 3 293.327 -1.057 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC)C2)C1 ZINC001187982976 781833154 /nfs/dbraw/zinc/83/31/54/781833154.db2.gz VFOUCIXTGYEOCP-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCOCCOC)C1 ZINC001188287596 781835300 /nfs/dbraw/zinc/83/53/00/781835300.db2.gz OJEBXMPYNYSSHK-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001188132463 781835443 /nfs/dbraw/zinc/83/54/43/781835443.db2.gz FUBFMVNFERMKEO-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CCCC(N)=O)C1)C(N)=O ZINC001188384315 781837180 /nfs/dbraw/zinc/83/71/80/781837180.db2.gz YOFPVRREXJPZJZ-RKDXNWHRSA-N 0 3 270.333 -1.294 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001188390398 781837233 /nfs/dbraw/zinc/83/72/33/781837233.db2.gz HVZRGIDISIBZJA-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001188390289 781837500 /nfs/dbraw/zinc/83/75/00/781837500.db2.gz FUMCXZFNBLJASU-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001188369147 781837563 /nfs/dbraw/zinc/83/75/63/781837563.db2.gz UHUJNMDHEGIEKN-NXEZZACHSA-N 0 3 299.375 -1.111 20 0 CAADHN NC(=O)CCCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001188376874 781837576 /nfs/dbraw/zinc/83/75/76/781837576.db2.gz RTPWITKEHJNSKL-MRVPVSSYSA-N 0 3 299.331 -1.973 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001188368601 781837592 /nfs/dbraw/zinc/83/75/92/781837592.db2.gz DFYYTQOEMUMTSR-SNVBAGLBSA-N 0 3 265.317 -1.180 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CCCC(N)=O)C1)C(N)=O ZINC001188384314 781838111 /nfs/dbraw/zinc/83/81/11/781838111.db2.gz YOFPVRREXJPZJZ-DTWKUNHWSA-N 0 3 270.333 -1.294 20 0 CAADHN C[C@H](NC(=O)C1CCC1)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001188431306 781839224 /nfs/dbraw/zinc/83/92/24/781839224.db2.gz QAUSWVZMCPMJIN-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 ZINC001188438748 781839568 /nfs/dbraw/zinc/83/95/68/781839568.db2.gz VBFTULLQUUOKJZ-MNOVXSKESA-N 0 3 285.344 -1.142 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CCN(C)C1=O ZINC001273562130 781840411 /nfs/dbraw/zinc/84/04/11/781840411.db2.gz KTBOCMWGTWIVAA-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CCN(C)C1=O ZINC001273562127 781840426 /nfs/dbraw/zinc/84/04/26/781840426.db2.gz KTBOCMWGTWIVAA-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCN(C)C1=O ZINC001273562152 781840905 /nfs/dbraw/zinc/84/09/05/781840905.db2.gz LGPHKMGNQZSNHO-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001188495308 781841618 /nfs/dbraw/zinc/84/16/18/781841618.db2.gz KZJKEIKFZIMVIZ-RKDXNWHRSA-N 0 3 296.327 -2.024 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N(C)CCn2cncn2)C1 ZINC001188693919 781843490 /nfs/dbraw/zinc/84/34/90/781843490.db2.gz UDZJBKDHSIEVMF-LBPRGKRZSA-N 0 3 294.359 -1.053 20 0 CAADHN COCCN(C)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784944 781845666 /nfs/dbraw/zinc/84/56/66/781845666.db2.gz SXPSPLDVJNDCFF-JTQLQIEISA-N 0 3 268.321 -1.148 20 0 CAADHN COCCN(C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784951 781845706 /nfs/dbraw/zinc/84/57/06/781845706.db2.gz SXPSPLDVJNDCFF-SNVBAGLBSA-N 0 3 268.321 -1.148 20 0 CAADHN COCCN(C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811998 781847539 /nfs/dbraw/zinc/84/75/39/781847539.db2.gz HNXWDTYQCBOXIX-VIFPVBQESA-N 0 3 258.322 -1.166 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001151749176 781850564 /nfs/dbraw/zinc/85/05/64/781850564.db2.gz QOCWJRPOUNZQFF-GHMZBOCLSA-N 0 3 284.360 -1.699 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001151749381 781850919 /nfs/dbraw/zinc/85/09/19/781850919.db2.gz WQCBFHJXODGVPL-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001151749177 781850995 /nfs/dbraw/zinc/85/09/95/781850995.db2.gz QOCWJRPOUNZQFF-MNOVXSKESA-N 0 3 284.360 -1.699 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CN(CC)CCO1 ZINC001151748758 781851469 /nfs/dbraw/zinc/85/14/69/781851469.db2.gz KIHXHRRHYSIDIW-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001151749178 781851569 /nfs/dbraw/zinc/85/15/69/781851569.db2.gz QOCWJRPOUNZQFF-QWRGUYRKSA-N 0 3 284.360 -1.699 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001189344386 781852979 /nfs/dbraw/zinc/85/29/79/781852979.db2.gz ANSJCDMFGMWQGK-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)C(=O)CC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001189375480 781853235 /nfs/dbraw/zinc/85/32/35/781853235.db2.gz KUEQDLYGQUQTCL-WDEREUQCSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189479195 781856185 /nfs/dbraw/zinc/85/61/85/781856185.db2.gz FBZUBYYVHBMZRD-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C)C1(C)CN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1 ZINC001189427576 781857099 /nfs/dbraw/zinc/85/70/99/781857099.db2.gz BSWOGRJSIWPOFK-UHFFFAOYSA-N 0 3 280.328 -1.140 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)C1(C(N)=O)CC1 ZINC001273581619 781859398 /nfs/dbraw/zinc/85/93/98/781859398.db2.gz GJLCAMVXSCIBEN-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1ccc[nH]1 ZINC001151781360 781860740 /nfs/dbraw/zinc/86/07/40/781860740.db2.gz HHLKUVPOCSPNGO-UHFFFAOYSA-N 0 3 281.316 -1.281 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189481282 781861624 /nfs/dbraw/zinc/86/16/24/781861624.db2.gz SNOZCSWWLIJABT-JTQLQIEISA-N 0 3 273.333 -1.597 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189481285 781862086 /nfs/dbraw/zinc/86/20/86/781862086.db2.gz SNOZCSWWLIJABT-SNVBAGLBSA-N 0 3 273.333 -1.597 20 0 CAADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110414887 781863921 /nfs/dbraw/zinc/86/39/21/781863921.db2.gz MJIIVGMPEHBCGS-DBIOUOCHSA-N 0 3 285.344 -1.409 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001110418561 781864230 /nfs/dbraw/zinc/86/42/30/781864230.db2.gz YRNNKDSQMSXLMF-BBBLOLIVSA-N 0 3 255.318 -1.034 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001189961658 781868154 /nfs/dbraw/zinc/86/81/54/781868154.db2.gz AMVMOYKMHVUMSI-NSHDSACASA-N 0 3 297.359 -1.030 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001189961656 781868562 /nfs/dbraw/zinc/86/85/62/781868562.db2.gz AMVMOYKMHVUMSI-LLVKDONJSA-N 0 3 297.359 -1.030 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001190108037 781869640 /nfs/dbraw/zinc/86/96/40/781869640.db2.gz MKKQDRFMQFMYEF-VHSXEESVSA-N 0 3 270.333 -1.430 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190382365 781871467 /nfs/dbraw/zinc/87/14/67/781871467.db2.gz XEJWTXDZYDOLPO-LBPRGKRZSA-N 0 3 297.359 -1.180 20 0 CAADHN CCN(CC)CC(=O)N(C)CCCNC(=O)C(N)=O ZINC001294280837 781873919 /nfs/dbraw/zinc/87/39/19/781873919.db2.gz AAMFVEVTYYRASQ-UHFFFAOYSA-N 0 3 272.349 -1.222 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@@]1(C)CCNC1=O ZINC001273605277 781879387 /nfs/dbraw/zinc/87/93/87/781879387.db2.gz SUPIWFYAMOWMBA-ZDUSSCGKSA-N 0 3 284.360 -1.303 20 0 CAADHN COCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@H]1O ZINC001190645989 781882732 /nfs/dbraw/zinc/88/27/32/781882732.db2.gz UPYFLFIDHXCSOW-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001190725558 781886673 /nfs/dbraw/zinc/88/66/73/781886673.db2.gz VWEKGVYEZYFWLZ-IJLUTSLNSA-N 0 3 285.344 -1.680 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001190786637 781888646 /nfs/dbraw/zinc/88/86/46/781888646.db2.gz UJSKIMZATGDVPW-YUSALJHKSA-N 0 3 287.360 -1.291 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001190785466 781889612 /nfs/dbraw/zinc/88/96/12/781889612.db2.gz CLSYCCNGLKYYAA-GHMZBOCLSA-N 0 3 296.327 -1.006 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001190921499 781893653 /nfs/dbraw/zinc/89/36/53/781893653.db2.gz AKPILQFZNMHJBC-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001190978093 781895320 /nfs/dbraw/zinc/89/53/20/781895320.db2.gz RUCXGYPZMGLHDA-NXEZZACHSA-N 0 3 290.339 -1.044 20 0 CAADHN C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977042 781895632 /nfs/dbraw/zinc/89/56/32/781895632.db2.gz AKYJXXZQKZUNIP-DJLDLDEBSA-N 0 3 276.312 -1.436 20 0 CAADHN COCCN(C)[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191041118 781896791 /nfs/dbraw/zinc/89/67/91/781896791.db2.gz OPAMQPOVYDZYFK-LLVKDONJSA-N 0 3 297.359 -1.239 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191119136 781898364 /nfs/dbraw/zinc/89/83/64/781898364.db2.gz NBGAALVMAGGGMI-SNVBAGLBSA-N 0 3 283.332 -1.040 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CCn2cncn2)C1 ZINC001191120083 781898575 /nfs/dbraw/zinc/89/85/75/781898575.db2.gz CVJSBBXWPISQMU-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001191119132 781899867 /nfs/dbraw/zinc/89/98/67/781899867.db2.gz NBGAALVMAGGGMI-JTQLQIEISA-N 0 3 283.332 -1.040 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191355039 781903898 /nfs/dbraw/zinc/90/38/98/781903898.db2.gz BCHUXNVSJQQTSD-NXEZZACHSA-N 0 3 289.332 -1.460 20 0 CAADHN COC(=O)NCC(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001191356347 781904427 /nfs/dbraw/zinc/90/44/27/781904427.db2.gz NYLZISJLWZCHAQ-RKDXNWHRSA-N 0 3 259.306 -1.088 20 0 CAADHN CN1CCC(CO)(NC(=O)c2ncc[nH]c2=O)CC1 ZINC001191518841 781910356 /nfs/dbraw/zinc/91/03/56/781910356.db2.gz GHOHOXFZOWFRQP-UHFFFAOYSA-N 0 3 266.301 -1.044 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001191720217 781916116 /nfs/dbraw/zinc/91/61/16/781916116.db2.gz QSFXEPXSGURDRR-NWDGAFQWSA-N 0 3 299.371 -1.336 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cccnc1C(N)=O ZINC001151967546 781916181 /nfs/dbraw/zinc/91/61/81/781916181.db2.gz RMZDDOUWQQLEML-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN CC[C@H](C(=O)NCCN(C)CC(=O)NC(N)=O)N(C)C ZINC001420332513 890429468 /nfs/dbraw/zinc/42/94/68/890429468.db2.gz CDZYAUCIKBJOTM-SECBINFHSA-N 0 3 287.364 -1.431 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H](O)C(C)C ZINC001420412199 890439395 /nfs/dbraw/zinc/43/93/95/890439395.db2.gz DTPZHNKOWVRJKH-WCBMZHEXSA-N 0 3 288.348 -1.447 20 0 CAADHN CCN(CCNC(=O)c1nnn(C)n1)C[C@@H](O)COC ZINC001420414293 890439924 /nfs/dbraw/zinc/43/99/24/890439924.db2.gz GHEMWSPXUATIOF-SECBINFHSA-N 0 3 286.336 -1.731 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001420445010 890441351 /nfs/dbraw/zinc/44/13/51/890441351.db2.gz KVMUPJBVIZLDLG-ZETCQYMHSA-N 0 3 283.288 -2.472 20 0 CAADHN COCC1(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)CC1 ZINC001420447697 890441873 /nfs/dbraw/zinc/44/18/73/890441873.db2.gz KKQXTNHODWHLTQ-QMMMGPOBSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCS(=O)(=O)NC ZINC001420419621 890441893 /nfs/dbraw/zinc/44/18/93/890441893.db2.gz APNYYRRDIPWRNZ-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001420498820 890448677 /nfs/dbraw/zinc/44/86/77/890448677.db2.gz JSFKUOVBQXVJGC-XHNCKOQMSA-N 0 3 287.364 -1.209 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CCCC(N)=O ZINC001420521594 890449232 /nfs/dbraw/zinc/44/92/32/890449232.db2.gz LCZZOWJPTCVMET-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN NS(=O)(=O)CCCC(=O)NC[C@@H]1CCCN1CCO ZINC001420507955 890450521 /nfs/dbraw/zinc/45/05/21/890450521.db2.gz SQSXXMSOZUPQOE-JTQLQIEISA-N 0 3 293.389 -1.372 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@]1(C)CCC(=O)N1)C(N)=O ZINC001420720708 890459630 /nfs/dbraw/zinc/45/96/30/890459630.db2.gz BWJHNYNCNDAMDQ-PELKAZGASA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CS(C)(=O)=O ZINC001420718851 890461333 /nfs/dbraw/zinc/46/13/33/890461333.db2.gz ZELVSBRYQIUWDL-MRVPVSSYSA-N 0 3 279.362 -1.787 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001420719767 890461902 /nfs/dbraw/zinc/46/19/02/890461902.db2.gz VQEBZLUCQBYFEM-GMSGAONNSA-N 0 3 270.333 -1.519 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001420719773 890461964 /nfs/dbraw/zinc/46/19/64/890461964.db2.gz VQEBZLUCQBYFEM-XCBNKYQSSA-N 0 3 270.333 -1.519 20 0 CAADHN CCN1CCO[C@H](C(=O)N(C)CCN[C@H](C)C(N)=O)C1 ZINC001420746154 890465538 /nfs/dbraw/zinc/46/55/38/890465538.db2.gz RKRNACODBPLDAZ-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN COCc1nc(CNC(=O)CN2CCN(C)CC2)n[nH]1 ZINC001420987529 890476302 /nfs/dbraw/zinc/47/63/02/890476302.db2.gz LFECLWQTJLCYQA-UHFFFAOYSA-N 0 3 282.348 -1.185 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)CNC(=O)NC ZINC001421122757 890487551 /nfs/dbraw/zinc/48/75/51/890487551.db2.gz WIPVHSMGOGGROB-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)C1=CCOCC1 ZINC001421351411 890500470 /nfs/dbraw/zinc/50/04/70/890500470.db2.gz VQAICWMVFQYUJQ-ZDUSSCGKSA-N 0 3 270.329 -1.122 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@@]1(F)CCOC1 ZINC001421374888 890502672 /nfs/dbraw/zinc/50/26/72/890502672.db2.gz JEHQULPBGLUCAX-VXGBXAGGSA-N 0 3 276.308 -1.340 20 0 CAADHN CCO[C@H](C)C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001421642516 890524069 /nfs/dbraw/zinc/52/40/69/890524069.db2.gz OCDDILHCWOLGSM-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(C(F)F)N(CCO)CCN[C@H]1CCCNC1=O ZINC001421644257 890526123 /nfs/dbraw/zinc/52/61/23/890526123.db2.gz RZPHJCFQBPUYQJ-QMMMGPOBSA-N 0 3 279.287 -1.059 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001421885249 890540015 /nfs/dbraw/zinc/54/00/15/890540015.db2.gz JFIASOQAURADTD-JGVFFNPUSA-N 0 3 272.305 -1.723 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001421886872 890540177 /nfs/dbraw/zinc/54/01/77/890540177.db2.gz HOOFCVMKXNYBNM-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN CC[C@@H](NC[C@@H](C)N(C)C(=O)Cn1cnnn1)C(N)=O ZINC001421871638 890540410 /nfs/dbraw/zinc/54/04/10/890540410.db2.gz LSLUYJIRIAYNCZ-RKDXNWHRSA-N 0 3 283.336 -1.627 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001421937076 890544646 /nfs/dbraw/zinc/54/46/46/890544646.db2.gz ZXPCBJWPLUMMKF-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN NC(=O)C1(NC[C@H]2CNC(=O)C2)CCS(=O)(=O)CC1 ZINC001422164459 890552843 /nfs/dbraw/zinc/55/28/43/890552843.db2.gz WXGVETZSEDYIIL-MRVPVSSYSA-N 0 3 289.357 -1.855 20 0 CAADHN COCCN(C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001422228827 890556985 /nfs/dbraw/zinc/55/69/85/890556985.db2.gz DAFYUCQFGMIBLN-SNVBAGLBSA-N 0 3 293.389 -1.285 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NC[C@H](O)CNC(=O)CC ZINC001422267512 890562105 /nfs/dbraw/zinc/56/21/05/890562105.db2.gz JPTQLNNCTXDOPA-IUCAKERBSA-N 0 3 288.348 -1.303 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CC ZINC001422267505 890562676 /nfs/dbraw/zinc/56/26/76/890562676.db2.gz JPTQLNNCTXDOPA-BDAKNGLRSA-N 0 3 288.348 -1.303 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001422268076 890563484 /nfs/dbraw/zinc/56/34/84/890563484.db2.gz BBFLYKRUNNGZAV-JGVFFNPUSA-N 0 3 270.289 -1.463 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001422288510 890569580 /nfs/dbraw/zinc/56/95/80/890569580.db2.gz MXIKMLFOUQARJL-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CNCC(=O)NC(=O)NC ZINC001422286290 890565517 /nfs/dbraw/zinc/56/55/17/890565517.db2.gz XORCBTZBPWXYAW-QMMMGPOBSA-N 0 3 290.320 -2.455 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)C1CC(F)(F)C1 ZINC001422279070 890566258 /nfs/dbraw/zinc/56/62/58/890566258.db2.gz BZMVMWYVMHCOII-BDAKNGLRSA-N 0 3 291.298 -1.013 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cn[nH]c1)C(=O)N(C)C ZINC001422285977 890566829 /nfs/dbraw/zinc/56/68/29/890566829.db2.gz HAMFHTVPXGACNS-PSASIEDQSA-N 0 3 283.332 -1.433 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001422316354 890573510 /nfs/dbraw/zinc/57/35/10/890573510.db2.gz QPANKVGDDOHVIN-IUCAKERBSA-N 0 3 283.336 -1.708 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCn1ccnc1 ZINC001422355389 890581050 /nfs/dbraw/zinc/58/10/50/890581050.db2.gz YFBXATMEWGRIEH-JTQLQIEISA-N 0 3 283.332 -1.914 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1cnco1 ZINC001422350358 890580781 /nfs/dbraw/zinc/58/07/81/890580781.db2.gz JBLKTPMUBJDUKO-RNFRBKRXSA-N 0 3 283.288 -1.034 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccnc(C)n1 ZINC001422409244 890590724 /nfs/dbraw/zinc/59/07/24/890590724.db2.gz KCIAQXHHLCQREK-SECBINFHSA-N 0 3 281.316 -1.789 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)CC1(O)CCC1 ZINC001422497689 890594768 /nfs/dbraw/zinc/59/47/68/890594768.db2.gz PKSMLIVTOWREFL-MRVPVSSYSA-N 0 3 286.332 -1.419 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CNCC(=O)N(C)C1CC1 ZINC001422488633 890595726 /nfs/dbraw/zinc/59/57/26/890595726.db2.gz DVDIMYCDBYWKPK-SECBINFHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001422514377 890595760 /nfs/dbraw/zinc/59/57/60/890595760.db2.gz JDJLAKDENUZKDL-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN Cc1nc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)co1 ZINC001422501345 890596101 /nfs/dbraw/zinc/59/61/01/890596101.db2.gz WHDCSVWRLKLHER-ZCFIWIBFSA-N 0 3 283.288 -1.114 20 0 CAADHN CCc1noc(C)c1C(=O)NC[C@H](O)CNCC(N)=O ZINC001422409665 890592845 /nfs/dbraw/zinc/59/28/45/890592845.db2.gz XDWWYXFUNRACPG-MRVPVSSYSA-N 0 3 284.316 -1.289 20 0 CAADHN Cc1conc1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001422591496 890599747 /nfs/dbraw/zinc/59/97/47/890599747.db2.gz VDPNNIDVEQKEQL-SSDOTTSWSA-N 0 3 283.288 -1.114 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001422695110 890610627 /nfs/dbraw/zinc/61/06/27/890610627.db2.gz HJJHGFICCIMENN-JGVFFNPUSA-N 0 3 283.332 -1.032 20 0 CAADHN CC[C@H](N[C@@H](C)CN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001423054259 890622992 /nfs/dbraw/zinc/62/29/92/890622992.db2.gz RVQBOHRDGLCNFP-IUCAKERBSA-N 0 3 283.336 -1.627 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CCn1ccnn1 ZINC001423058685 890624302 /nfs/dbraw/zinc/62/43/02/890624302.db2.gz GDFBXPGQAFCNTI-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)NCC(N)=O ZINC001423079534 890627559 /nfs/dbraw/zinc/62/75/59/890627559.db2.gz QXQQOTTZEBWMOA-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NCC(N)=O ZINC001423174721 890631883 /nfs/dbraw/zinc/63/18/83/890631883.db2.gz RDGDLVICVJZWEI-MRVPVSSYSA-N 0 3 281.316 -1.684 20 0 CAADHN CC(C)C(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001423210272 890642129 /nfs/dbraw/zinc/64/21/29/890642129.db2.gz XENVQOLYPKNURM-SNVBAGLBSA-N 0 3 272.349 -1.266 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)CCOC ZINC001423401898 890670148 /nfs/dbraw/zinc/67/01/48/890670148.db2.gz FGSQSZIVBWJQHM-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN Cc1nocc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001423454948 890678235 /nfs/dbraw/zinc/67/82/35/890678235.db2.gz NTUQATQJVHQEEL-IUCAKERBSA-N 0 3 284.316 -1.121 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)Cn1cnnn1 ZINC001423592148 890683534 /nfs/dbraw/zinc/68/35/34/890683534.db2.gz KQHYTAPHQWBWTK-MRVPVSSYSA-N 0 3 283.336 -1.721 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001423524024 890684751 /nfs/dbraw/zinc/68/47/51/890684751.db2.gz NVSIRIRSDFMWKO-SNVBAGLBSA-N 0 3 270.333 -1.223 20 0 CAADHN CN(CC(N)=O)C[C@H](O)CN(C)C(=O)CN1CCCC1 ZINC001423544056 890685006 /nfs/dbraw/zinc/68/50/06/890685006.db2.gz HBQWBWGGZBTGGC-NSHDSACASA-N 0 3 286.376 -1.681 20 0 CAADHN CN(CC(N)=O)C[C@@H](O)CN(C)C(=O)CN1CCCC1 ZINC001423544052 890684270 /nfs/dbraw/zinc/68/42/70/890684270.db2.gz HBQWBWGGZBTGGC-LLVKDONJSA-N 0 3 286.376 -1.681 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001423745328 890694875 /nfs/dbraw/zinc/69/48/75/890694875.db2.gz VELUDJHWZQBBHD-YPMHNXCESA-N 0 3 287.360 -2.138 20 0 CAADHN Cc1nonc1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001423795177 890697934 /nfs/dbraw/zinc/69/79/34/890697934.db2.gz VPMZTABDENYVJB-LLVKDONJSA-N 0 3 270.289 -1.463 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001423798069 890698873 /nfs/dbraw/zinc/69/88/73/890698873.db2.gz FDERRJAAZGQJJQ-JTQLQIEISA-N 0 3 295.361 -2.919 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)CNC(=O)NC)CCC1 ZINC001424178967 890723699 /nfs/dbraw/zinc/72/36/99/890723699.db2.gz YVIFLZWEDDGELP-UHFFFAOYSA-N 0 3 299.375 -1.320 20 0 CAADHN CCNC(=O)CCC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001424460736 890732717 /nfs/dbraw/zinc/73/27/17/890732717.db2.gz BOVDSDABJGSBOG-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCn1cnnn1 ZINC001424832712 890744402 /nfs/dbraw/zinc/74/44/02/890744402.db2.gz NVTZLLKGGLMKQA-BDAKNGLRSA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)NCC(N)=O ZINC001424779619 890745211 /nfs/dbraw/zinc/74/52/11/890745211.db2.gz OBXIBRXVSSWHFR-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001424796046 890745431 /nfs/dbraw/zinc/74/54/31/890745431.db2.gz XBEBEOKWTGDMLE-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN O=C(NC[C@H](CO)NC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001425717074 890798733 /nfs/dbraw/zinc/79/87/33/890798733.db2.gz NAAXGUSRFYVQAB-MWLCHTKSSA-N 0 3 290.385 -1.102 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)NC[C@@H](CO)NCC(N)=O ZINC001425835839 890830259 /nfs/dbraw/zinc/83/02/59/890830259.db2.gz ARVJMIFYROPFAC-WDEREUQCSA-N 0 3 286.376 -1.587 20 0 CAADHN CCN1CCCC[C@H]1C(=O)NC[C@H](CO)NCC(N)=O ZINC001425835829 890828464 /nfs/dbraw/zinc/82/84/64/890828464.db2.gz ARVJMIFYROPFAC-MNOVXSKESA-N 0 3 286.376 -1.587 20 0 CAADHN CCN1CCCC[C@H]1C(=O)NC[C@@H](CO)NCC(N)=O ZINC001425835834 890828970 /nfs/dbraw/zinc/82/89/70/890828970.db2.gz ARVJMIFYROPFAC-QWRGUYRKSA-N 0 3 286.376 -1.587 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cnn(C)c1N ZINC001425997669 890839281 /nfs/dbraw/zinc/83/92/81/890839281.db2.gz KBJWTCAUWNVYIL-SSDOTTSWSA-N 0 3 284.320 -2.490 20 0 CAADHN COCCC(=O)N(C)C[C@H](O)CN[C@@H]1CCCNC1=O ZINC001425979778 890840600 /nfs/dbraw/zinc/84/06/00/890840600.db2.gz LQDDKRSPXWKNGJ-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@H]1CCOC1 ZINC001426026943 890844305 /nfs/dbraw/zinc/84/43/05/890844305.db2.gz LGTSNYWGSGTWBZ-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001426082248 890853165 /nfs/dbraw/zinc/85/31/65/890853165.db2.gz UWKSRSRDSRTECO-QWRGUYRKSA-N 0 3 287.360 -1.649 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001426082247 890852813 /nfs/dbraw/zinc/85/28/13/890852813.db2.gz UWKSRSRDSRTECO-MNOVXSKESA-N 0 3 287.360 -1.649 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001426144539 890854827 /nfs/dbraw/zinc/85/48/27/890854827.db2.gz FIPSJROCUBSMCA-IUCAKERBSA-N 0 3 284.360 -1.129 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001426078849 890855826 /nfs/dbraw/zinc/85/58/26/890855826.db2.gz QERJDAJNKHNJPY-JTQLQIEISA-N 0 3 285.348 -1.174 20 0 CAADHN CNC(=O)NCC(=O)NC1CN(C(=O)CN(C)C(C)C)C1 ZINC001430213454 890948472 /nfs/dbraw/zinc/94/84/72/890948472.db2.gz WBFRQERDWWSBNV-UHFFFAOYSA-N 0 3 299.375 -1.417 20 0 CAADHN CC[C@@H](C(=O)N(C)C1CN(C(=O)CNC(N)=O)C1)N(C)C ZINC001432432672 891004956 /nfs/dbraw/zinc/00/49/56/891004956.db2.gz VAZZYXUQCGXZRT-JTQLQIEISA-N 0 3 299.375 -1.336 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001434221894 891089334 /nfs/dbraw/zinc/08/93/34/891089334.db2.gz IXSYYUYPXOIZDV-IUCAKERBSA-N 0 3 270.333 -1.628 20 0 CAADHN CC(C)N1CC[C@@H](N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001434482579 891119908 /nfs/dbraw/zinc/11/99/08/891119908.db2.gz NRVDHLHHUHTOTL-KXUCPTDWSA-N 0 3 282.344 -1.486 20 0 CAADHN CCCN1CCN(CCNC(=O)c2nnn(C)n2)CC1 ZINC001436706387 891152749 /nfs/dbraw/zinc/15/27/49/891152749.db2.gz UGGXRLOOQKXXRX-UHFFFAOYSA-N 0 3 281.364 -1.033 20 0 CAADHN CCN1CCN(CCNC(=O)CNC(=O)NC)CC1 ZINC001436712793 891154101 /nfs/dbraw/zinc/15/41/01/891154101.db2.gz YSRMKIUEBFIHGM-UHFFFAOYSA-N 0 3 271.365 -1.331 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(N)=O ZINC001436659991 891154319 /nfs/dbraw/zinc/15/43/19/891154319.db2.gz MEDDWYATYCNMJW-MWLCHTKSSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)CCCS(N)(=O)=O ZINC001438905456 891232529 /nfs/dbraw/zinc/23/25/29/891232529.db2.gz KRLYGSPFBVYCDR-SNVBAGLBSA-N 0 3 295.405 -1.174 20 0 CAADHN COC[C@@H](O)CN1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001484059729 892798549 /nfs/dbraw/zinc/79/85/49/892798549.db2.gz YDWYNULWWLWSHR-GZMMTYOYSA-N 0 3 259.306 -1.940 20 0 CAADHN CCOCC(=O)NC[C@@H](NCC(=O)NC(N)=O)C1CC1 ZINC001436769450 891156728 /nfs/dbraw/zinc/15/67/28/891156728.db2.gz RVPIPJASEHRMDR-SECBINFHSA-N 0 3 286.332 -1.298 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001436876439 891156759 /nfs/dbraw/zinc/15/67/59/891156759.db2.gz LKIWGXGZAMJGFW-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H](CN(C)C(=O)CC(N)=O)N[C@@H](C)C(=O)N(C)C ZINC001507057507 893954306 /nfs/dbraw/zinc/95/43/06/893954306.db2.gz XLGHYYOPQJQQEA-IUCAKERBSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)N1CCNCC1 ZINC000689195138 883990317 /nfs/dbraw/zinc/99/03/17/883990317.db2.gz JCFHAXQNWZSSJX-VIFPVBQESA-N 0 3 299.418 -1.499 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001083699272 884033517 /nfs/dbraw/zinc/03/35/17/884033517.db2.gz RDHPVBPWQGCVDF-AEJSXWLSSA-N 0 3 255.318 -1.308 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001152508203 884064561 /nfs/dbraw/zinc/06/45/61/884064561.db2.gz IJVGGIYNGDUVTN-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1ccon1 ZINC001124201058 884053217 /nfs/dbraw/zinc/05/32/17/884053217.db2.gz RCBYTBAMQZRGBX-ZETCQYMHSA-N 0 3 266.257 -1.201 20 0 CAADHN COC(=O)NCC(=O)NCCNCC(=O)N1CCC1 ZINC001124181135 884053802 /nfs/dbraw/zinc/05/38/02/884053802.db2.gz ATIDPMXXVRLKEO-UHFFFAOYSA-N 0 3 272.305 -1.720 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)N(C)C)n1cncn1 ZINC001125918341 884054927 /nfs/dbraw/zinc/05/49/27/884054927.db2.gz MTHSPZRXIJQROC-VIFPVBQESA-N 0 3 268.321 -1.367 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001126654138 884057268 /nfs/dbraw/zinc/05/72/68/884057268.db2.gz LROJRRKMWYGURU-MRVPVSSYSA-N 0 3 268.321 -1.389 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)nn1)C(=O)NC1CC1 ZINC001126657457 884057390 /nfs/dbraw/zinc/05/73/90/884057390.db2.gz FBBXXHJWZQIFOO-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001192931166 884071596 /nfs/dbraw/zinc/07/15/96/884071596.db2.gz FWIGZZTZPFIYLU-NXEZZACHSA-N 0 3 293.389 -1.505 20 0 CAADHN C[C@@]1(O)COCCN(C[C@H](O)CN2CCOCC2)C1 ZINC001251010101 884080151 /nfs/dbraw/zinc/08/01/51/884080151.db2.gz TVYIDKVTORRHHL-OLZOCXBDSA-N 0 3 274.361 -1.237 20 0 CAADHN OC[C@@H]1CCN(C[C@@H](O)CN2CCOCC2)C[C@@H]1O ZINC001251009815 884080670 /nfs/dbraw/zinc/08/06/70/884080670.db2.gz QHGTXCGBILFYJH-AVGNSLFASA-N 0 3 274.361 -1.645 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001268323909 884091275 /nfs/dbraw/zinc/09/12/75/884091275.db2.gz QXSPLQHUYAUQMI-ZETCQYMHSA-N 0 3 272.305 -2.935 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnco1)C(N)=O ZINC001268319422 884091491 /nfs/dbraw/zinc/09/14/91/884091491.db2.gz XPWUGMMHTIKJRN-NKWVEPMBSA-N 0 3 256.262 -1.771 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)C1CC1 ZINC001278721333 884108339 /nfs/dbraw/zinc/10/83/39/884108339.db2.gz OEHQVJOMOPESOL-PSASIEDQSA-N 0 3 257.334 -1.060 20 0 CAADHN NS(=O)(=O)CCCN1CCC(CO)(CO)CC1 ZINC001308061561 884126790 /nfs/dbraw/zinc/12/67/90/884126790.db2.gz HTZRBFKMQKWSDC-UHFFFAOYSA-N 0 3 266.363 -1.268 20 0 CAADHN CN(CCCNC(=O)CCc1cn[nH]n1)CC(N)=O ZINC001316851001 884159505 /nfs/dbraw/zinc/15/95/05/884159505.db2.gz OADYQMSFNFKVAA-UHFFFAOYSA-N 0 3 268.321 -1.339 20 0 CAADHN CN(CCCNC(=O)CCc1c[nH]nn1)CC(N)=O ZINC001316851001 884159516 /nfs/dbraw/zinc/15/95/16/884159516.db2.gz OADYQMSFNFKVAA-UHFFFAOYSA-N 0 3 268.321 -1.339 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@@H]1CCNC1=O ZINC001316842522 884157478 /nfs/dbraw/zinc/15/74/78/884157478.db2.gz HYTWSEYLCDBMCE-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCCNC(=O)C(N)=O)[C@@H]1CCCN(C)C1=O ZINC001316845952 884158044 /nfs/dbraw/zinc/15/80/44/884158044.db2.gz TWGQTPHBBZEGJB-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CCOCC(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001317224639 884178115 /nfs/dbraw/zinc/17/81/15/884178115.db2.gz KSDJXKXZJGESEU-ZETCQYMHSA-N 0 3 260.294 -1.688 20 0 CAADHN CCOCC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001317224634 884178148 /nfs/dbraw/zinc/17/81/48/884178148.db2.gz KSDJXKXZJGESEU-SSDOTTSWSA-N 0 3 260.294 -1.688 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)C(=O)NCC1CC1)C(N)=O ZINC001317280325 884186234 /nfs/dbraw/zinc/18/62/34/884186234.db2.gz KOBQFZFAKQQPMG-WCBMZHEXSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)N[C@@H](C)C(N)=O ZINC001317277457 884186670 /nfs/dbraw/zinc/18/66/70/884186670.db2.gz QNHQEZVLOJRLQH-BQBZGAKWSA-N 0 3 284.316 -1.993 20 0 CAADHN C[C@H](CNC(=O)Cc1ncc[nH]1)N[C@@H]1CCNC1=O ZINC001317279026 884186822 /nfs/dbraw/zinc/18/68/22/884186822.db2.gz GUHGHZGWUDUNRJ-RKDXNWHRSA-N 0 3 265.317 -1.065 20 0 CAADHN C[C@H](CNC(=O)C1(C(N)=O)CC1)N[C@@H](C)C(=O)N(C)C ZINC001317269719 884182574 /nfs/dbraw/zinc/18/25/74/884182574.db2.gz SBFFITAVOGRZSG-BDAKNGLRSA-N 0 3 284.360 -1.177 20 0 CAADHN CN(CCCO)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001317453894 884194058 /nfs/dbraw/zinc/19/40/58/884194058.db2.gz TXCHSJWPWWHUQU-JTQLQIEISA-N 0 3 257.334 -1.057 20 0 CAADHN CN(CCNC(=O)c1ccc(=O)[nH]n1)CCOCCO ZINC001317437521 884195492 /nfs/dbraw/zinc/19/54/92/884195492.db2.gz SNYGGPIWEZDWBT-UHFFFAOYSA-N 0 3 284.316 -1.147 20 0 CAADHN CCOCCN(C)CCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001317450865 884195817 /nfs/dbraw/zinc/19/58/17/884195817.db2.gz YALIVAAUTMJBKY-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN(C)C[C@@H](C)O)C1 ZINC001317445069 884196032 /nfs/dbraw/zinc/19/60/32/884196032.db2.gz QMJUIBLCZGFFIN-SECBINFHSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(CCO)CCNC(=O)CCn1cnccc1=O ZINC001317467701 884203294 /nfs/dbraw/zinc/20/32/94/884203294.db2.gz JYBBMXNYYXDGJP-UHFFFAOYSA-N 0 3 268.317 -1.326 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CCCCC(N)=O ZINC001317649295 884232380 /nfs/dbraw/zinc/23/23/80/884232380.db2.gz SDTNAMZEGNWXPG-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001317627465 884230599 /nfs/dbraw/zinc/23/05/99/884230599.db2.gz IAGAGAVSAWYENI-UHFFFAOYSA-N 0 3 267.289 -1.740 20 0 CAADHN CC(C)N(CCCNC(=O)[C@H]1CCC(=O)N1)CC(N)=O ZINC001317680716 884237134 /nfs/dbraw/zinc/23/71/34/884237134.db2.gz CPZZVBLIQKVWBL-SNVBAGLBSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN1CCO[C@@H](C(=O)N(C)CCNCC(N)=O)C1 ZINC001317666283 884237319 /nfs/dbraw/zinc/23/73/19/884237319.db2.gz UFIJMLBTMCVJIP-SNVBAGLBSA-N 0 3 272.349 -1.760 20 0 CAADHN CCN(C(=O)CC(N)=O)[C@H]1CCN(CCOCCO)C1 ZINC001318457777 884281985 /nfs/dbraw/zinc/28/19/85/884281985.db2.gz JSUWUNKEPNGLTB-NSHDSACASA-N 0 3 287.360 -1.207 20 0 CAADHN CC[C@@H](CNC(=O)c1cnon1)NCC(=O)NC ZINC001318591758 884290706 /nfs/dbraw/zinc/29/07/06/884290706.db2.gz QGQAPVHXXCWCKG-ZETCQYMHSA-N 0 3 255.278 -1.086 20 0 CAADHN CC[C@H](CNC(=O)C(=O)NCC1CC1)N[C@H](C)C(N)=O ZINC001318592105 884287604 /nfs/dbraw/zinc/28/76/04/884287604.db2.gz SFLTVRKUKGAAAR-PSASIEDQSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001319419250 884327801 /nfs/dbraw/zinc/32/78/01/884327801.db2.gz QPNNETZEDLDRIA-HTQZYQBOSA-N 0 3 258.322 -1.567 20 0 CAADHN C[C@H](NC[C@H](C)N(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001319547269 884339694 /nfs/dbraw/zinc/33/96/94/884339694.db2.gz QICKESDCKQVATF-YUMQZZPRSA-N 0 3 268.321 -1.261 20 0 CAADHN CC(C)C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C(N)=O ZINC001319633461 884345296 /nfs/dbraw/zinc/34/52/96/884345296.db2.gz HYOJBRJLEBZYSK-NXEZZACHSA-N 0 3 284.360 -1.177 20 0 CAADHN NC(=O)N[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001319802448 884353782 /nfs/dbraw/zinc/35/37/82/884353782.db2.gz FUGDTIHMTWXRCY-NXEZZACHSA-N 0 3 253.306 -1.013 20 0 CAADHN CN(CCOCCO)CCN(C)C(=O)c1cnnn1C ZINC001319993914 884368214 /nfs/dbraw/zinc/36/82/14/884368214.db2.gz GPLPQDPYSHTGLX-UHFFFAOYSA-N 0 3 285.348 -1.172 20 0 CAADHN CN(CCO)CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001320094263 884376223 /nfs/dbraw/zinc/37/62/23/884376223.db2.gz CYOMLLUEDWRIQE-SECBINFHSA-N 0 3 271.317 -1.578 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CC1CC1 ZINC001320189774 884380594 /nfs/dbraw/zinc/38/05/94/884380594.db2.gz RTKSHBFGDAGOHO-SCZZXKLOSA-N 0 3 257.334 -1.012 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCC(=O)NC1=O)C1CC1 ZINC001320185877 884380634 /nfs/dbraw/zinc/38/06/34/884380634.db2.gz FGCYOGQBVQKEQJ-IUCAKERBSA-N 0 3 269.301 -1.732 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001320198992 884381827 /nfs/dbraw/zinc/38/18/27/884381827.db2.gz HHOMYGNFTQMFEU-YUMQZZPRSA-N 0 3 269.305 -1.776 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001320202138 884383775 /nfs/dbraw/zinc/38/37/75/884383775.db2.gz NAPHYSDAIUMMEU-MRVPVSSYSA-N 0 3 269.305 -2.106 20 0 CAADHN Cc1nnc(CC(=O)NC[C@@H](O)CNCCF)o1 ZINC001320215671 884390053 /nfs/dbraw/zinc/39/00/53/884390053.db2.gz UFGQGLYIHUKNLU-QMMMGPOBSA-N 0 3 260.269 -1.043 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ncc[nH]1)C(N)=O ZINC001320216127 884391868 /nfs/dbraw/zinc/39/18/68/884391868.db2.gz IUZUPWSSYYHCAG-SFYZADRCSA-N 0 3 269.305 -1.646 20 0 CAADHN CCCOCC(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001320205949 884392946 /nfs/dbraw/zinc/39/29/46/884392946.db2.gz VWEHKENDMKMANX-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1c(C(=O)NC[C@]2(O)CCN(C)C2)nnn1C ZINC001320228514 884393450 /nfs/dbraw/zinc/39/34/50/884393450.db2.gz YJRYLTLLZTVRCT-LLVKDONJSA-N 0 3 253.306 -1.080 20 0 CAADHN C[C@H](C(=O)NC[C@H](O)CNCCF)N1C(=O)CCC1=O ZINC001320227037 884393948 /nfs/dbraw/zinc/39/39/48/884393948.db2.gz JQVIDWXNVIECPY-RKDXNWHRSA-N 0 3 289.307 -1.440 20 0 CAADHN C/C=C(\C)C(=O)NC[C@@H](O)CNCCNS(C)(=O)=O ZINC001320219258 884394583 /nfs/dbraw/zinc/39/45/83/884394583.db2.gz ZZCPITXVLXYNDO-LLGDCAAFSA-N 0 3 293.389 -1.432 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCCn2cncn2)C1 ZINC001320223373 884395134 /nfs/dbraw/zinc/39/51/34/884395134.db2.gz ZNRDWQKOYVSVIX-LLVKDONJSA-N 0 3 268.321 -1.356 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001320250870 884401391 /nfs/dbraw/zinc/40/13/91/884401391.db2.gz VKRDXYKSKHNBJZ-SECBINFHSA-N 0 3 269.305 -2.256 20 0 CAADHN O=C(NC[C@@H](O)CNC/C=C\Cl)[C@H]1CCNC1=O ZINC001320259757 884402990 /nfs/dbraw/zinc/40/29/90/884402990.db2.gz RXUHVFPHIVBAQX-FSQLHZRSSA-N 0 3 275.736 -1.058 20 0 CAADHN NC(=O)C(=O)NC[C@H](O)CNCc1ccc(Cl)nc1 ZINC001320269993 884405253 /nfs/dbraw/zinc/40/52/53/884405253.db2.gz GBQDNFIRFYSJMP-MRVPVSSYSA-N 0 3 286.719 -1.213 20 0 CAADHN CC(C)N1CC[C@@H](NC[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001320270054 884405910 /nfs/dbraw/zinc/40/59/10/884405910.db2.gz HCPVBLHBXKPLBG-DTWKUNHWSA-N 0 3 286.332 -2.452 20 0 CAADHN O=C(NC[C@H](O)CNC/C=C/Cl)[C@H]1CNC(=O)N1 ZINC001320271676 884406338 /nfs/dbraw/zinc/40/63/38/884406338.db2.gz UIBVORIRIANMPZ-XLNBVVSQSA-N 0 3 276.724 -1.513 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)C(N)=O)cn1 ZINC001320272663 884408123 /nfs/dbraw/zinc/40/81/23/884408123.db2.gz YHLRVQOMESNQOS-MRVPVSSYSA-N 0 3 255.278 -2.528 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)C1CCS(=O)(=O)CC1 ZINC001320282475 884408166 /nfs/dbraw/zinc/40/81/66/884408166.db2.gz HXQKHYXVTICVFL-JTQLQIEISA-N 0 3 296.364 -1.153 20 0 CAADHN Cc1nonc1CC(=O)NC[C@H](O)CNCCF ZINC001320293127 884410864 /nfs/dbraw/zinc/41/08/64/884410864.db2.gz PSSAPWNHCUKMDZ-MRVPVSSYSA-N 0 3 260.269 -1.043 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccncn1 ZINC001320286903 884411409 /nfs/dbraw/zinc/41/14/09/884411409.db2.gz RUDPOSYKAIWIAU-QMMMGPOBSA-N 0 3 267.289 -2.097 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H](CO)NC(N)=O ZINC001320323487 884413564 /nfs/dbraw/zinc/41/35/64/884413564.db2.gz GWSYYCSIPXNCKE-QMMMGPOBSA-N 0 3 262.310 -2.554 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)CN(C)C(C)=O ZINC001320682595 884439823 /nfs/dbraw/zinc/43/98/23/884439823.db2.gz IEHIERMUBNIFGB-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CN(C)CCO1 ZINC001320703782 884442669 /nfs/dbraw/zinc/44/26/69/884442669.db2.gz SCYRWYRLGFUVLV-SNVBAGLBSA-N 0 3 272.349 -1.760 20 0 CAADHN C[C@H](CC[NH2+]CC(N)=O)NC(=O)CCc1nnc[n-]1 ZINC001320388069 884420175 /nfs/dbraw/zinc/42/01/75/884420175.db2.gz ONDQQAMVNZPDQA-MRVPVSSYSA-N 0 3 268.321 -1.293 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001320513723 884427800 /nfs/dbraw/zinc/42/78/00/884427800.db2.gz LXXXEQSZUPRYBP-GFCCVEGCSA-N 0 3 266.301 -1.090 20 0 CAADHN CCN(CCO)CCNC(=O)C(=O)Nc1cncnc1 ZINC001320591252 884431690 /nfs/dbraw/zinc/43/16/90/884431690.db2.gz CRUPCYCRJSRXSR-UHFFFAOYSA-N 0 3 281.316 -1.155 20 0 CAADHN C[C@H](C[NH2+]CC(N)=O)NC(=O)c1cnc[n-]c1=O ZINC001321552992 884500448 /nfs/dbraw/zinc/50/04/48/884500448.db2.gz YOBDFGVEAXQKKQ-ZCFIWIBFSA-N 0 3 253.262 -1.625 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCCCS(C)(=O)=O)C1 ZINC001321137337 884470859 /nfs/dbraw/zinc/47/08/59/884470859.db2.gz WZGKFNHBLWTSOO-LLVKDONJSA-N 0 3 293.389 -1.213 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC=CC[NH2+][C@@H](C)C(N)=O ZINC001321193438 884477763 /nfs/dbraw/zinc/47/77/63/884477763.db2.gz QEZMGMUTNYWLQJ-RTMURIBGSA-N 0 3 266.305 -1.137 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)c1cnn(C)n1)C(N)=O ZINC001321288629 884483073 /nfs/dbraw/zinc/48/30/73/884483073.db2.gz FVYAYUTZILQTPM-TUUFMJSCSA-N 0 3 266.305 -1.436 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cnns1 ZINC001321800958 884520698 /nfs/dbraw/zinc/52/06/98/884520698.db2.gz UROBSQFAKSCHBO-LURJTMIESA-N 0 3 257.319 -1.008 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001321948030 884530522 /nfs/dbraw/zinc/53/05/22/884530522.db2.gz WNFZDIUOYRUQFB-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@H]1CCC(=O)NC1 ZINC001322194716 884540392 /nfs/dbraw/zinc/54/03/92/884540392.db2.gz VPZCXEOYQJMFSP-ZJUUUORDSA-N 0 3 257.334 -1.059 20 0 CAADHN CC(C)COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)C(N)=O ZINC001322239277 884544459 /nfs/dbraw/zinc/54/44/59/884544459.db2.gz ZAHBXFAFGJQPJX-MNOVXSKESA-N 0 3 289.376 -1.058 20 0 CAADHN C[C@@H](CN(C)[C@@H](C)C(N)=O)NC(=O)c1ncn[nH]1 ZINC001322269386 884547268 /nfs/dbraw/zinc/54/72/68/884547268.db2.gz NKKLQTFAIIOGDY-BQBZGAKWSA-N 0 3 254.294 -1.271 20 0 CAADHN C[C@@H](CN(C)[C@@H](C)C(N)=O)NC(=O)c1nc[nH]n1 ZINC001322269386 884547277 /nfs/dbraw/zinc/54/72/77/884547277.db2.gz NKKLQTFAIIOGDY-BQBZGAKWSA-N 0 3 254.294 -1.271 20 0 CAADHN Cn1nncc1CNC[C@@H](NC(=O)CC(N)=O)C1CC1 ZINC001322976456 884588550 /nfs/dbraw/zinc/58/85/50/884588550.db2.gz QEWCDQVTHOCGLS-SNVBAGLBSA-N 0 3 280.332 -1.325 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001323016433 884593114 /nfs/dbraw/zinc/59/31/14/884593114.db2.gz WYOGXIFHRDZFSL-MRVPVSSYSA-N 0 3 270.333 -1.532 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H](CO)CN1CCCC1 ZINC001323633997 884628017 /nfs/dbraw/zinc/62/80/17/884628017.db2.gz VWLHCVODXVQZDJ-BDAKNGLRSA-N 0 3 284.316 -1.843 20 0 CAADHN O=C1CNC(=O)N1CCCN1C[C@@H](O)C[C@H]1CO ZINC001324149985 884650413 /nfs/dbraw/zinc/65/04/13/884650413.db2.gz HJZUMJWZQLEVKD-IUCAKERBSA-N 0 3 257.290 -1.644 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cncnc1 ZINC001325081988 884706439 /nfs/dbraw/zinc/70/64/39/884706439.db2.gz LZGNOFOCTUNJGB-LBPRGKRZSA-N 0 3 266.301 -1.365 20 0 CAADHN NC(=O)C(=O)NC[C@@]1(O)CCN(CCOCC2CC2)C1 ZINC001325127496 884708367 /nfs/dbraw/zinc/70/83/67/884708367.db2.gz VNLBNPSIVFPYCP-ZDUSSCGKSA-N 0 3 285.344 -1.549 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCF)C1)c1ncn[nH]1 ZINC001325141945 884714071 /nfs/dbraw/zinc/71/40/71/884714071.db2.gz QVGDTBHCZBISBW-JTQLQIEISA-N 0 3 257.269 -1.059 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCF)C1)c1nc[nH]n1 ZINC001325141945 884714080 /nfs/dbraw/zinc/71/40/80/884714080.db2.gz QVGDTBHCZBISBW-JTQLQIEISA-N 0 3 257.269 -1.059 20 0 CAADHN NC(=O)NC(=O)OCCCN1CC[C@@H](CO)[C@H](O)C1 ZINC001325346694 884727681 /nfs/dbraw/zinc/72/76/81/884727681.db2.gz YLIJTNNLSZYERO-DTWKUNHWSA-N 0 3 275.305 -1.144 20 0 CAADHN Cn1cnc(CNC(=O)NC[C@@]2(O)CCN(C)C2)n1 ZINC001325493713 884736150 /nfs/dbraw/zinc/73/61/50/884736150.db2.gz HNTKZMGETLOVMN-NSHDSACASA-N 0 3 268.321 -1.319 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1[nH]cnc1C ZINC001326160588 884773387 /nfs/dbraw/zinc/77/33/87/884773387.db2.gz WZVRIKKOFSFBPY-UHFFFAOYSA-N 0 3 283.332 -1.512 20 0 CAADHN NC(=O)[C@@H](O)CNCCC(=O)Nc1cccnc1 ZINC001326202589 884774647 /nfs/dbraw/zinc/77/46/47/884774647.db2.gz SGYJHXURBRWPFE-VIFPVBQESA-N 0 3 252.274 -1.154 20 0 CAADHN O=C(C[C@@H]1CNCCO1)NCCCN1C(=O)CNC1=O ZINC001326014163 884761001 /nfs/dbraw/zinc/76/10/01/884761001.db2.gz UWBCHGYFBPZZJZ-SECBINFHSA-N 0 3 284.316 -1.577 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NC[C@@H]1CNCCO1 ZINC001326451050 884796040 /nfs/dbraw/zinc/79/60/40/884796040.db2.gz KVBZNKOSEOQQEV-QMMMGPOBSA-N 0 3 265.335 -2.018 20 0 CAADHN C[C@H](N)C(=O)NCC(=O)NCCN1CCOCC1 ZINC001326673535 884820437 /nfs/dbraw/zinc/82/04/37/884820437.db2.gz BIOCQMZRKZTRDO-VIFPVBQESA-N 0 3 258.322 -2.102 20 0 CAADHN C[C@@H](N)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC001326815753 884839017 /nfs/dbraw/zinc/83/90/17/884839017.db2.gz BQGNJYAUARCCSO-SSDOTTSWSA-N 0 3 276.318 -1.443 20 0 CAADHN COC(=O)NC1CN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC001327242662 884872906 /nfs/dbraw/zinc/87/29/06/884872906.db2.gz FMKODCAAQSNGJS-UHFFFAOYSA-N 0 3 286.332 -1.427 20 0 CAADHN CC(C)NC(=O)CNC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001327019792 884854583 /nfs/dbraw/zinc/85/45/83/884854583.db2.gz MBSCWKPADRMTPK-VIFPVBQESA-N 0 3 286.332 -2.187 20 0 CAADHN CCOCCN[C@@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001327590770 884903461 /nfs/dbraw/zinc/90/34/61/884903461.db2.gz IGOHULFLKHMALM-LBPRGKRZSA-N 0 3 273.333 -1.549 20 0 CAADHN O[C@@H]1CN(C/C=C/CN2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001327617967 884914512 /nfs/dbraw/zinc/91/45/12/884914512.db2.gz YFIXVUYEFJFCRU-WTYPTZRFSA-N 0 3 258.318 -2.383 20 0 CAADHN CN1CCN(CCCNC(=O)[C@H]2CC(=O)N2)CC1 ZINC001327721222 884920016 /nfs/dbraw/zinc/92/00/16/884920016.db2.gz XMUFPWGMAHSDBM-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN COCCN[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001327593706 884908700 /nfs/dbraw/zinc/90/87/00/884908700.db2.gz ZLWAUOWMNQYPOU-LLVKDONJSA-N 0 3 259.306 -1.939 20 0 CAADHN NC[C@H]1CC(C(=O)N[C@@H]2CCS(=O)(=O)C2)=NO1 ZINC001327915709 884938643 /nfs/dbraw/zinc/93/86/43/884938643.db2.gz CNHXEZVIANDQPJ-RNFRBKRXSA-N 0 3 261.303 -1.607 20 0 CAADHN COC(=O)COCC(=O)NCCCN1CCN(C)CC1 ZINC001328626045 885007566 /nfs/dbraw/zinc/00/75/66/885007566.db2.gz NPRAOVYCPZNMIW-UHFFFAOYSA-N 0 3 287.360 -1.070 20 0 CAADHN CCN(CC)C(=O)CN[C@@H](C)[C@H](C)NC(=O)C(N)=O ZINC001329108059 885065803 /nfs/dbraw/zinc/06/58/03/885065803.db2.gz HLQCQXIJEOMVOD-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](NC(=O)CC(N)=O)[C@H](C)NCC(=O)N1CCC1 ZINC001329006941 885048705 /nfs/dbraw/zinc/04/87/05/885048705.db2.gz GBNAUBYKBOMHBW-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001329058710 885055384 /nfs/dbraw/zinc/05/53/84/885055384.db2.gz CIGWZSYSBWGWRK-MNOVXSKESA-N 0 3 265.317 -1.054 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H]1CNCCO1 ZINC001329127299 885070647 /nfs/dbraw/zinc/07/06/47/885070647.db2.gz QNGJTYDAZNOJRD-QMMMGPOBSA-N 0 3 250.320 -1.474 20 0 CAADHN COCCNCC(=O)N1CCC(CS(N)(=O)=O)CC1 ZINC001329272997 885085392 /nfs/dbraw/zinc/08/53/92/885085392.db2.gz MVNPEXBJOJFPIR-UHFFFAOYSA-N 0 3 293.389 -1.251 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)CC1 ZINC001329432347 885100925 /nfs/dbraw/zinc/10/09/25/885100925.db2.gz FARLSKGMZCBAIK-ZJUUUORDSA-N 0 3 267.329 -1.081 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)N(C)C[C@@H](O)Cn1cccn1 ZINC001329529468 885114395 /nfs/dbraw/zinc/11/43/95/885114395.db2.gz BAXAYNASLLDSPU-VHSXEESVSA-N 0 3 283.332 -1.834 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N[C@H](C)CN ZINC001329844522 885144893 /nfs/dbraw/zinc/14/48/93/885144893.db2.gz ZOBUOAFDMWAJLR-CSMHCCOUSA-N 0 3 293.345 -2.622 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC001329843641 885145963 /nfs/dbraw/zinc/14/59/63/885145963.db2.gz QEBNVTIAMCZEGO-YIZRAAEISA-N 0 3 291.373 -1.468 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)CCN ZINC001329843324 885146378 /nfs/dbraw/zinc/14/63/78/885146378.db2.gz PWOUBIFUOZURHJ-HTQZYQBOSA-N 0 3 293.345 -2.668 20 0 CAADHN NC(=O)CCCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001329925441 885156671 /nfs/dbraw/zinc/15/66/71/885156671.db2.gz QINFVVCRCWFPPW-VHSXEESVSA-N 0 3 255.318 -1.081 20 0 CAADHN COCCN1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001329999401 885162811 /nfs/dbraw/zinc/16/28/11/885162811.db2.gz XVTZZYJKFWQQRF-SECBINFHSA-N 0 3 268.321 -1.244 20 0 CAADHN CCN(CC)C(=O)CNC(=O)C(=O)N(C)CCN(C)C ZINC001330713064 885223416 /nfs/dbraw/zinc/22/34/16/885223416.db2.gz BIDFLJONLVHNQC-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN CN(CC(=O)N1CCN(C)CC1)C[C@@H]1CNC(=O)C1 ZINC001331142510 885254904 /nfs/dbraw/zinc/25/49/04/885254904.db2.gz BSPYBWKIZMSDLB-NSHDSACASA-N 0 3 268.361 -1.172 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001331472960 885278109 /nfs/dbraw/zinc/27/81/09/885278109.db2.gz CFLMOBOFYZSJPM-LURJTMIESA-N 0 3 269.305 -1.041 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn[nH]c(=O)c1)NCC(N)=O ZINC001331475441 885279511 /nfs/dbraw/zinc/27/95/11/885279511.db2.gz ORVKSFUMJWGZDK-SSDOTTSWSA-N 0 3 267.289 -1.282 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001331569808 885288221 /nfs/dbraw/zinc/28/82/21/885288221.db2.gz ITHBJPCOCJCTGA-NXEZZACHSA-N 0 3 283.328 -1.362 20 0 CAADHN C[C@@H]1CS(=O)(=O)CCN1c1nc(N)nc(N)n1 ZINC001331531621 885282298 /nfs/dbraw/zinc/28/22/98/885282298.db2.gz DTLJUUXLJUGUBK-RXMQYKEDSA-N 0 3 258.307 -1.341 20 0 CAADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)NCC(N)=O ZINC001331530060 885284616 /nfs/dbraw/zinc/28/46/16/885284616.db2.gz MRZNUJORYNCFIW-ZETCQYMHSA-N 0 3 267.289 -1.695 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cn(C)nc1OC ZINC001331760147 885333800 /nfs/dbraw/zinc/33/38/00/885333800.db2.gz YIHDOBCJQXUTFH-VIFPVBQESA-N 0 3 286.332 -1.245 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001331833744 885354466 /nfs/dbraw/zinc/35/44/66/885354466.db2.gz CZOLZMBDUIGLAH-VHSXEESVSA-N 0 3 294.373 -1.723 20 0 CAADHN CN(CCO)Cc1cn(C[C@@H]2CNCCO2)nn1 ZINC001331857765 885360250 /nfs/dbraw/zinc/36/02/50/885360250.db2.gz OVFFOKFHXZWKAG-NSHDSACASA-N 0 3 255.322 -1.309 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC001332028838 885371740 /nfs/dbraw/zinc/37/17/40/885371740.db2.gz DGNHJZGLCMXSDB-SFYZADRCSA-N 0 3 266.305 -1.257 20 0 CAADHN CNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2nc[n-]n2)C1 ZINC001332028838 885371759 /nfs/dbraw/zinc/37/17/59/885371759.db2.gz DGNHJZGLCMXSDB-SFYZADRCSA-N 0 3 266.305 -1.257 20 0 CAADHN COC[C@H](O)CN1CC[C@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC001332110312 885378004 /nfs/dbraw/zinc/37/80/04/885378004.db2.gz INRRPXDTFLEFPE-GIPNMCIBSA-N 0 3 285.344 -1.408 20 0 CAADHN CO[C@H]1C[C@H](CNC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC001332302874 885397040 /nfs/dbraw/zinc/39/70/40/885397040.db2.gz BMYCWEUQAFAIPX-GMTAPVOTSA-N 0 3 285.344 -1.368 20 0 CAADHN CN(C[C@H](O)CNCc1ccns1)C(=O)CC(N)=O ZINC001332490392 885415423 /nfs/dbraw/zinc/41/54/23/885415423.db2.gz WKWKXLDCEGVALE-MRVPVSSYSA-N 0 3 286.357 -1.073 20 0 CAADHN CN(C[C@@H](O)CNCc1ccns1)C(=O)CC(N)=O ZINC001332490395 885416270 /nfs/dbraw/zinc/41/62/70/885416270.db2.gz WKWKXLDCEGVALE-QMMMGPOBSA-N 0 3 286.357 -1.073 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001332604736 885427319 /nfs/dbraw/zinc/42/73/19/885427319.db2.gz CHSRGFFSUPSIIN-RKDXNWHRSA-N 0 3 297.352 -1.944 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001332648648 885428647 /nfs/dbraw/zinc/42/86/47/885428647.db2.gz RGIMUZXLMJEAQL-WDEREUQCSA-N 0 3 287.360 -1.480 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001332664945 885429340 /nfs/dbraw/zinc/42/93/40/885429340.db2.gz ONBJOJGSQNLCTN-JTQLQIEISA-N 0 3 268.317 -1.166 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001332648645 885430919 /nfs/dbraw/zinc/43/09/19/885430919.db2.gz RGIMUZXLMJEAQL-MNOVXSKESA-N 0 3 287.360 -1.480 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccnnc1 ZINC001332576154 885424074 /nfs/dbraw/zinc/42/40/74/885424074.db2.gz YASPRCABQXSQKN-VIFPVBQESA-N 0 3 267.289 -2.016 20 0 CAADHN CN(C(=O)CC(N)=O)C1CC(NCCS(C)(=O)=O)C1 ZINC001333049239 885453963 /nfs/dbraw/zinc/45/39/63/885453963.db2.gz OVPMCHUGLDNULF-UHFFFAOYSA-N 0 3 291.373 -1.515 20 0 CAADHN CO[C@@H]1CN(C[C@@H](O)C[C@@]2(O)CCOC2)C[C@H]1O ZINC001333101911 885456477 /nfs/dbraw/zinc/45/64/77/885456477.db2.gz XPCYKCROYWDUPH-QCNOEVLYSA-N 0 3 261.318 -1.420 20 0 CAADHN OCc1cn([C@@H]2CCCN(C[C@@H](O)CO)C2)nn1 ZINC001333079982 885457170 /nfs/dbraw/zinc/45/71/70/885457170.db2.gz IMTGLFVXPMGDMR-GHMZBOCLSA-N 0 3 256.306 -1.240 20 0 CAADHN CN(CCOCCN[C@@H]1CCNC1=O)C(=O)CC(N)=O ZINC001333202013 885462499 /nfs/dbraw/zinc/46/24/99/885462499.db2.gz GMNOXGGLROLHKB-SECBINFHSA-N 0 3 286.332 -2.185 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1cn(C)nn1 ZINC001333217301 885463961 /nfs/dbraw/zinc/46/39/61/885463961.db2.gz IWGMTLLWGCAMPF-UHFFFAOYSA-N 0 3 284.320 -2.021 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)C1CCOCC1 ZINC001333190141 885464642 /nfs/dbraw/zinc/46/46/42/885464642.db2.gz DBGNPXZXBLPQDF-UHFFFAOYSA-N 0 3 287.360 -1.037 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN(C[C@@H](O)CO)C1 ZINC001333184349 885464703 /nfs/dbraw/zinc/46/47/03/885464703.db2.gz VPHLCNUDOXDSKM-VHSXEESVSA-N 0 3 266.363 -1.399 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)[C@@H]1CCCOC1 ZINC001333205754 885464724 /nfs/dbraw/zinc/46/47/24/885464724.db2.gz IDCJFYWZABWNNI-LLVKDONJSA-N 0 3 287.360 -1.037 20 0 CAADHN NC(=O)CN(C[C@H]1CNCCO1)C1CCOCC1 ZINC001333160896 885461097 /nfs/dbraw/zinc/46/10/97/885461097.db2.gz GTRSGUDKFZGMTQ-LLVKDONJSA-N 0 3 257.334 -1.059 20 0 CAADHN O=C(C[C@@H]1CNCCO1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001333354294 885474599 /nfs/dbraw/zinc/47/45/99/885474599.db2.gz MEVKDLQXCNJBEO-OPRDCNLKSA-N 0 3 254.286 -1.004 20 0 CAADHN O=C(CCn1cncn1)N1CCOC2(CNC2)C1 ZINC001333671245 885499298 /nfs/dbraw/zinc/49/92/98/885499298.db2.gz FBESOKKBCDRTFE-UHFFFAOYSA-N 0 3 251.290 -1.131 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001334047877 885521240 /nfs/dbraw/zinc/52/12/40/885521240.db2.gz XQNWRPVNAKPUDC-ZJUUUORDSA-N 0 3 255.318 -1.081 20 0 CAADHN O=C([C@@H]1CCNC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001334459422 885545605 /nfs/dbraw/zinc/54/56/05/885545605.db2.gz SYDKFNZTNGJQKT-IVZWLZJFSA-N 0 3 253.302 -1.600 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)C(N)=O)N(C)C ZINC001334546053 885552892 /nfs/dbraw/zinc/55/28/92/885552892.db2.gz UIJMZKIYWSHNSS-BDAKNGLRSA-N 0 3 272.349 -1.225 20 0 CAADHN COC(=O)[C@@H]1CN(C[C@H](O)CO)C[C@H]1C(=O)OC ZINC001334727408 885562029 /nfs/dbraw/zinc/56/20/29/885562029.db2.gz ACNYYEZZKZZNCO-DJLDLDEBSA-N 0 3 261.274 -1.766 20 0 CAADHN CN1CCN(C)CCN([C@H]2CCC(=O)NC2=O)CC1 ZINC001334657129 885557385 /nfs/dbraw/zinc/55/73/85/885557385.db2.gz GRSCDSXNJKGLFX-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN COC(=O)[C@H]1CN(C[C@H](O)CO)C[C@@H]1C(=O)OC ZINC001334727401 885561048 /nfs/dbraw/zinc/56/10/48/885561048.db2.gz ACNYYEZZKZZNCO-CIUDSAMLSA-N 0 3 261.274 -1.766 20 0 CAADHN Cn1cc(S(=O)(=O)N2CCNCCNCC2)cn1 ZINC001335181091 885590861 /nfs/dbraw/zinc/59/08/61/885590861.db2.gz MUEOIJAJWUCMOT-UHFFFAOYSA-N 0 3 273.362 -1.396 20 0 CAADHN C[C@H]1COCCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC001335217579 885592522 /nfs/dbraw/zinc/59/25/22/885592522.db2.gz OZKUZQJSKDWNLJ-GHMZBOCLSA-N 0 3 285.344 -1.414 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCCNCC2)CO1 ZINC001335240397 885597673 /nfs/dbraw/zinc/59/76/73/885597673.db2.gz ISGZJHDTUSIYOP-GHMZBOCLSA-N 0 3 284.360 -1.699 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCO1 ZINC001335242457 885600748 /nfs/dbraw/zinc/60/07/48/885600748.db2.gz XHUVZXWEPQVOKB-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CCN(OC)C(=O)CNC[C@@H](O)C[C@]1(O)CCOC1 ZINC001335467664 885620270 /nfs/dbraw/zinc/62/02/70/885620270.db2.gz AHLWQJXIAHOVBE-CMPLNLGQSA-N 0 3 276.333 -1.112 20 0 CAADHN Cn1nncc1CNC(=O)NC[C@H]1CNCCO1 ZINC001335605546 885623807 /nfs/dbraw/zinc/62/38/07/885623807.db2.gz ZQNPARQIBYNAHF-SECBINFHSA-N 0 3 254.294 -1.397 20 0 CAADHN O=C(CO)NCCC(=O)N[C@H]1CN2CCC1CC2 ZINC001336055915 885645511 /nfs/dbraw/zinc/64/55/11/885645511.db2.gz QKXPISIOWCGPTL-JTQLQIEISA-N 0 3 255.318 -1.305 20 0 CAADHN COC(=O)[C@H]1CN(CCOCCO)C[C@@H]1C(=O)OC ZINC001336083672 885645978 /nfs/dbraw/zinc/64/59/78/885645978.db2.gz JSSAZEMQQDVHHC-UWVGGRQHSA-N 0 3 275.301 -1.111 20 0 CAADHN O=C(N[C@H]1CNOC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001335660410 885627921 /nfs/dbraw/zinc/62/79/21/885627921.db2.gz JNJBHKIODKRHDH-LPEHRKFASA-N 0 3 256.306 -1.650 20 0 CAADHN CC(C)OC[C@H](O)CNC[C@H](O)CS(C)(=O)=O ZINC001336310402 885655523 /nfs/dbraw/zinc/65/55/23/885655523.db2.gz WPEQLAMPHJHCIE-ZJUUUORDSA-N 0 3 269.363 -1.233 20 0 CAADHN CN1CC[C@H](NC[C@H](O)C[C@@]2(O)CCOC2)C1=O ZINC001336294263 885656082 /nfs/dbraw/zinc/65/60/82/885656082.db2.gz HZKHEMSQZDBNBY-SCVCMEIPSA-N 0 3 258.318 -1.291 20 0 CAADHN O=C1NCCC[C@@H]1NC[C@H](O)C1(O)CCOCC1 ZINC001336764750 885680988 /nfs/dbraw/zinc/68/09/88/885680988.db2.gz IBIXLDGJOONKTB-UWVGGRQHSA-N 0 3 258.318 -1.243 20 0 CAADHN CO[C@@H]1COC[C@H]1NC[C@@H](O)C[C@@]1(O)CCOC1 ZINC001336737910 885681062 /nfs/dbraw/zinc/68/10/62/885681062.db2.gz RQISZEOBGDUCNV-QCNOEVLYSA-N 0 3 261.318 -1.108 20 0 CAADHN CO[C@@H]1COC[C@H]1NC[C@H](O)C[C@]1(O)CCOC1 ZINC001336737416 885681603 /nfs/dbraw/zinc/68/16/03/885681603.db2.gz RQISZEOBGDUCNV-DDHJBXDOSA-N 0 3 261.318 -1.108 20 0 CAADHN O=C(CNC[C@@H](O)C1(O)CCOCC1)NC1CC1 ZINC001336725687 885681806 /nfs/dbraw/zinc/68/18/06/885681806.db2.gz ATYNARWAFMNASF-SNVBAGLBSA-N 0 3 258.318 -1.243 20 0 CAADHN O=C(CNC[C@@H](O)C[C@@]1(O)CCOC1)NC1CC1 ZINC001336727779 885682208 /nfs/dbraw/zinc/68/22/08/885682208.db2.gz PEOYPTAUYCWTSS-JQWIXIFHSA-N 0 3 258.318 -1.243 20 0 CAADHN COC(=O)CNC(=O)CN[C@@H](C)Cn1cncn1 ZINC001336757150 885682545 /nfs/dbraw/zinc/68/25/45/885682545.db2.gz CCJMIVUJGLWLCM-QMMMGPOBSA-N 0 3 255.278 -1.455 20 0 CAADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1nnc(N)n1 ZINC001336612476 885672568 /nfs/dbraw/zinc/67/25/68/885672568.db2.gz UREWWOASMFIOOH-DTWKUNHWSA-N 0 3 265.321 -1.050 20 0 CAADHN Cn1nncc1CNC(=O)N1CCOC2(CNC2)C1 ZINC001337062484 885692153 /nfs/dbraw/zinc/69/21/53/885692153.db2.gz MXNMAIGCZOOXTE-UHFFFAOYSA-N 0 3 266.305 -1.301 20 0 CAADHN C[C@H](CN(C)C(=O)CN(C)C1CCC1)NC(=O)C(N)=O ZINC001337245550 885694152 /nfs/dbraw/zinc/69/41/52/885694152.db2.gz LFMJKUUNRGUHDL-SECBINFHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@H](CO)CNC(=O)C(N)=O)N(C)C ZINC001337839776 885726201 /nfs/dbraw/zinc/72/62/01/885726201.db2.gz MUVPCMMNQIAHJQ-IUCAKERBSA-N 0 3 288.348 -2.349 20 0 CAADHN C[C@@H](NC[C@@H](O)C[C@@]1(O)CCOC1)C(=O)N(C)C ZINC001337854926 885725669 /nfs/dbraw/zinc/72/56/69/885725669.db2.gz OFIDTSSJOBRVAO-SCVCMEIPSA-N 0 3 260.334 -1.045 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N1CC=C[C@H]1CO ZINC001338539102 885750890 /nfs/dbraw/zinc/75/08/90/885750890.db2.gz QLACGQADBYTAOR-LBPRGKRZSA-N 0 3 299.371 -1.170 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(C[C@@H]2CCCNC2=O)C1=O ZINC001339981097 885783342 /nfs/dbraw/zinc/78/33/42/885783342.db2.gz PDUDNUAYLWXLAG-DTWKUNHWSA-N 0 3 268.317 -1.005 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(C[C@H]2CCCNC2=O)C1=O ZINC001339981096 885784844 /nfs/dbraw/zinc/78/48/44/885784844.db2.gz PDUDNUAYLWXLAG-BDAKNGLRSA-N 0 3 268.317 -1.005 20 0 CAADHN Cn1cnn(CC(=O)NC[C@H]2CNCCO2)c1=O ZINC001339766361 885776231 /nfs/dbraw/zinc/77/62/31/885776231.db2.gz CSAMLQAGKXQBRA-MRVPVSSYSA-N 0 3 255.278 -2.314 20 0 CAADHN C[C@@H](Cn1cncn1)NC(=O)[C@@H]1CNCCN1C ZINC001340605949 885804540 /nfs/dbraw/zinc/80/45/40/885804540.db2.gz PZQJWZAPNMWADB-UWVGGRQHSA-N 0 3 252.322 -1.314 20 0 CAADHN O=C1CCN(C[C@H](O)C[C@@]2(O)CCOC2)CCN1 ZINC001340551337 885806056 /nfs/dbraw/zinc/80/60/56/885806056.db2.gz QWNMGOOTIGTRFO-PWSUYJOCSA-N 0 3 258.318 -1.289 20 0 CAADHN Cn1cc([C@H](O)C(=O)N2CCOC3(CNC3)C2)cn1 ZINC001340678072 885808640 /nfs/dbraw/zinc/80/86/40/885808640.db2.gz UGELLQSRPTYWNF-JTQLQIEISA-N 0 3 266.301 -1.346 20 0 CAADHN COC(=O)[C@H]1C[C@@H](NC(=O)[C@H]2CNCCN2C)C1 ZINC001340769468 885812347 /nfs/dbraw/zinc/81/23/47/885812347.db2.gz YLGSMSFSWCLHJQ-KXUCPTDWSA-N 0 3 255.318 -1.042 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CNCCN1C ZINC001340983382 885824722 /nfs/dbraw/zinc/82/47/22/885824722.db2.gz LPEWGQQWOZWPEZ-BBBLOLIVSA-N 0 3 255.318 -1.185 20 0 CAADHN CNC(=O)NC(=O)CCN1CC[C@H](NC(N)=O)C1 ZINC001341310311 885835924 /nfs/dbraw/zinc/83/59/24/885835924.db2.gz PFVNFAISSLFNKI-ZETCQYMHSA-N 0 3 257.294 -1.425 20 0 CAADHN Cn1cc([C@H](O)C(=O)N[C@H]2COC3(CNC3)C2)cn1 ZINC001341370274 885838942 /nfs/dbraw/zinc/83/89/42/885838942.db2.gz WBLVMGFLPSLZQL-ZJUUUORDSA-N 0 3 266.301 -1.299 20 0 CAADHN COC[C@H](N)C(=O)N1CCN(C)CCN(C)CC1 ZINC001341511468 885840361 /nfs/dbraw/zinc/84/03/61/885840361.db2.gz GFOMMALEUUPVRN-NSHDSACASA-N 0 3 258.366 -1.334 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001341568008 885843817 /nfs/dbraw/zinc/84/38/17/885843817.db2.gz UHMLFEBNALBKTO-MWLCHTKSSA-N 0 3 266.345 -1.231 20 0 CAADHN COCCNCC(=O)NCC[C@@H]1CNCCS1(=O)=O ZINC001341644918 885850106 /nfs/dbraw/zinc/85/01/06/885850106.db2.gz BKXPVJAJQJONIK-SNVBAGLBSA-N 0 3 293.389 -1.885 20 0 CAADHN CN1CCNC[C@H]1C(=O)NC(C)(C)CNC(N)=O ZINC001341733822 885852522 /nfs/dbraw/zinc/85/25/22/885852522.db2.gz QJMYTWPUMXDADY-QMMMGPOBSA-N 0 3 257.338 -1.547 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)NCC1=O ZINC001341673001 885855336 /nfs/dbraw/zinc/85/53/36/885855336.db2.gz SIXNIWOLWKAOHK-ONGXEEELSA-N 0 3 266.345 -1.231 20 0 CAADHN Cn1nnnc1CCCNC(=O)C[C@@H]1CNCCO1 ZINC001342182216 885874732 /nfs/dbraw/zinc/87/47/32/885874732.db2.gz CRKLKZCUTFHDCM-SECBINFHSA-N 0 3 268.321 -1.363 20 0 CAADHN N[C@H](CO)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC001341764452 885856687 /nfs/dbraw/zinc/85/66/87/885856687.db2.gz HIMKKUJAOSYQBU-GHMZBOCLSA-N 0 3 250.302 -1.126 20 0 CAADHN COC(=O)C1(CNC(=O)[C@@H]2CNCCN2C)CC1 ZINC001341830719 885857554 /nfs/dbraw/zinc/85/75/54/885857554.db2.gz IYKOEDMPDRNZFV-VIFPVBQESA-N 0 3 255.318 -1.041 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@H]2COC3(CNC3)C2)C1=O ZINC001341976965 885863461 /nfs/dbraw/zinc/86/34/61/885863461.db2.gz XUXOYGCARWERBF-RKDXNWHRSA-N 0 3 269.301 -1.909 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2COC3(CNC3)C2)NCC1=O ZINC001342216913 885878636 /nfs/dbraw/zinc/87/86/36/885878636.db2.gz XYTRRBGUBXTFIY-IUCAKERBSA-N 0 3 268.317 -2.336 20 0 CAADHN CN(C[C@@H]1COCCO1)C(=O)[C@H]1CNCCN1C ZINC001342217863 885879068 /nfs/dbraw/zinc/87/90/68/885879068.db2.gz GFANEJHDPYBONQ-GHMZBOCLSA-N 0 3 257.334 -1.236 20 0 CAADHN CN(C[C@H]1COCCO1)C(=O)[C@@H]1CNCCN1C ZINC001342217889 885879082 /nfs/dbraw/zinc/87/90/82/885879082.db2.gz GFANEJHDPYBONQ-QWRGUYRKSA-N 0 3 257.334 -1.236 20 0 CAADHN CNS(=O)(=O)[C@H]1CCN(C(=O)CNCCOC)C1 ZINC001342243010 885879188 /nfs/dbraw/zinc/87/91/88/885879188.db2.gz COXQQPFCJSSVOB-VIFPVBQESA-N 0 3 279.362 -1.628 20 0 CAADHN CN(C[C@H]1COCCO1)C(=O)[C@H]1CNCCN1C ZINC001342217891 885880798 /nfs/dbraw/zinc/88/07/98/885880798.db2.gz GFANEJHDPYBONQ-WDEREUQCSA-N 0 3 257.334 -1.236 20 0 CAADHN COCC[C@@H](N)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC001342493104 885889759 /nfs/dbraw/zinc/88/97/59/885889759.db2.gz AFEVXNFBYGHIBS-WDEREUQCSA-N 0 3 257.334 -1.107 20 0 CAADHN CC[C@H](N)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001342773771 885897737 /nfs/dbraw/zinc/89/77/37/885897737.db2.gz KVOMQHDGFKGECW-YUMQZZPRSA-N 0 3 262.335 -1.916 20 0 CAADHN O=C(C1CS(=O)(=O)C1)N1CCNCCNCC1 ZINC001342624249 885894683 /nfs/dbraw/zinc/89/46/83/885894683.db2.gz XGEBOAZUBZIOMD-UHFFFAOYSA-N 0 3 261.347 -1.948 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1CNCCO1 ZINC001343672117 885923431 /nfs/dbraw/zinc/92/34/31/885923431.db2.gz IOOJQVIXBWRDIS-YUMQZZPRSA-N 0 3 255.274 -1.856 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1CNCCO1 ZINC001343672107 885923685 /nfs/dbraw/zinc/92/36/85/885923685.db2.gz IOOJQVIXBWRDIS-HTQZYQBOSA-N 0 3 255.274 -1.856 20 0 CAADHN O=C(N[C@H]1COC2(CNC2)C1)[C@@H]1CCNC(=O)C1 ZINC001344000006 885930389 /nfs/dbraw/zinc/93/03/89/885930389.db2.gz NFFYTBPGFSVZGQ-RKDXNWHRSA-N 0 3 253.302 -1.240 20 0 CAADHN Cc1c(C(=O)N[C@H]2COC3(CNC3)C2)nnn1C ZINC001344000563 885930437 /nfs/dbraw/zinc/93/04/37/885930437.db2.gz UAGBRKMYJXGQJJ-MRVPVSSYSA-N 0 3 251.290 -1.016 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CCOC3(CNC3)C2)C1=O ZINC001344091710 885934833 /nfs/dbraw/zinc/93/48/33/885934833.db2.gz CJQATMVFZGYMGV-SECBINFHSA-N 0 3 269.301 -1.956 20 0 CAADHN CCCN(C)CC(=O)NC[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001344223502 885936167 /nfs/dbraw/zinc/93/61/67/885936167.db2.gz HNPYIDTXNQOTNH-AOOOYVTPSA-N 0 3 284.360 -1.176 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCc2cnn(C)n2)C1 ZINC001344553257 885945318 /nfs/dbraw/zinc/94/53/18/885945318.db2.gz OUKAXERUFBBNDW-LLVKDONJSA-N 0 3 268.321 -1.319 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC[C@@H](O)C[C@]1(O)CCOC1 ZINC001345195007 885957861 /nfs/dbraw/zinc/95/78/61/885957861.db2.gz HGMMVDYKLBNWON-JFGNBEQYSA-N 0 3 276.333 -1.113 20 0 CAADHN O=C1N[C@@]2(CCOC2)C(=O)N1C[C@@H]1CNCCO1 ZINC001346687579 886016995 /nfs/dbraw/zinc/01/69/95/886016995.db2.gz JKUDLLPUVNWPRL-GZMMTYOYSA-N 0 3 255.274 -1.314 20 0 CAADHN O=C1N[C@]2(CCOC2)C(=O)N1C[C@@H]1CNCCO1 ZINC001346687581 886017499 /nfs/dbraw/zinc/01/74/99/886017499.db2.gz JKUDLLPUVNWPRL-KWQFWETISA-N 0 3 255.274 -1.314 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCc1nc[nH]n1 ZINC001348570860 886091797 /nfs/dbraw/zinc/09/17/97/886091797.db2.gz SKSNVCMGAARJIX-RKDXNWHRSA-N 0 3 250.306 -1.191 20 0 CAADHN CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001349173487 886116371 /nfs/dbraw/zinc/11/63/71/886116371.db2.gz GMOSIENIXRXRDF-VIFPVBQESA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H]1NC(=O)N(CCN2CCC[C@@H](CO)[C@H]2CO)C1=O ZINC001349676266 886143328 /nfs/dbraw/zinc/14/33/28/886143328.db2.gz KZUGCILGZKFUNA-GARJFASQSA-N 0 3 285.344 -1.008 20 0 CAADHN Cn1cc(CCC(=O)NC[C@@H]2CNCCO2)nn1 ZINC001350323249 886164160 /nfs/dbraw/zinc/16/41/60/886164160.db2.gz PLBHAFWQLIYMRA-JTQLQIEISA-N 0 3 253.306 -1.148 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O ZINC001350340133 886166242 /nfs/dbraw/zinc/16/62/42/886166242.db2.gz AZSPHRKHQSDPAR-BQBZGAKWSA-N 0 3 265.335 -2.001 20 0 CAADHN CCS(=O)(=O)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC001350396475 886169438 /nfs/dbraw/zinc/16/94/38/886169438.db2.gz CTHCUYNONDTBDT-SSDOTTSWSA-N 0 3 263.319 -1.359 20 0 CAADHN C[C@@H](CNC(=O)C1(O)CNC1)N1CCN(C)CC1 ZINC001350405013 886171937 /nfs/dbraw/zinc/17/19/37/886171937.db2.gz HDPSTRQXVSTVKI-JTQLQIEISA-N 0 3 256.350 -1.927 20 0 CAADHN CC[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)C(N)=O)C1)N(C)C ZINC001350742783 886182853 /nfs/dbraw/zinc/18/28/53/886182853.db2.gz IJIYNRMDAOSGOW-UWVGGRQHSA-N 0 3 284.360 -1.129 20 0 CAADHN CN(C)C1(C(=O)N(C)CCCNC(=O)C(N)=O)CCC1 ZINC001351873814 886232656 /nfs/dbraw/zinc/23/26/56/886232656.db2.gz YYLAWAVIHGQSJM-UHFFFAOYSA-N 0 3 284.360 -1.079 20 0 CAADHN Cn1cc([C@H](O)C(=O)NC[C@H]2CNCCO2)cn1 ZINC001353883252 886291859 /nfs/dbraw/zinc/29/18/59/886291859.db2.gz WJKDQKRAUVXHRU-ZJUUUORDSA-N 0 3 254.290 -1.442 20 0 CAADHN O=C(CN1CCCNC1=O)N[C@H]1COC2(CNC2)C1 ZINC001354261037 886304378 /nfs/dbraw/zinc/30/43/78/886304378.db2.gz YNQXZCDMDABIGU-SECBINFHSA-N 0 3 268.317 -1.351 20 0 CAADHN O=C(CN1CCCNC1=O)N[C@@H]1COC2(CNC2)C1 ZINC001354261038 886305333 /nfs/dbraw/zinc/30/53/33/886305333.db2.gz YNQXZCDMDABIGU-VIFPVBQESA-N 0 3 268.317 -1.351 20 0 CAADHN C[C@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCN1C ZINC001355386848 886336815 /nfs/dbraw/zinc/33/68/15/886336815.db2.gz WTSMYSLXKGKXLJ-YUMQZZPRSA-N 0 3 254.290 -1.253 20 0 CAADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@H]2CNCCN2C)C1 ZINC001354331548 886311310 /nfs/dbraw/zinc/31/13/10/886311310.db2.gz YLGSMSFSWCLHJQ-OPRDCNLKSA-N 0 3 255.318 -1.042 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@H](O)C[C@@]1(O)CCOC1 ZINC001356103846 886356018 /nfs/dbraw/zinc/35/60/18/886356018.db2.gz WKURYWRNXTYEQS-MNOVXSKESA-N 0 3 296.389 -1.630 20 0 CAADHN CON(C)C(=O)[C@H](C)NC[C@H](O)C[C@]1(O)CCOC1 ZINC001356101476 886357471 /nfs/dbraw/zinc/35/74/71/886357471.db2.gz HGMMVDYKLBNWON-HOSYDEDBSA-N 0 3 276.333 -1.113 20 0 CAADHN CC(C)[C@@H](C(=O)NC1CN(C(=O)C(N)=O)C1)N(C)C ZINC001356770087 886380048 /nfs/dbraw/zinc/38/00/48/886380048.db2.gz UZIRNIJBALTQDS-VIFPVBQESA-N 0 3 270.333 -1.615 20 0 CAADHN CC(C)[C@H](C(=O)N(C)CCN(C)C(=O)C(N)=O)N(C)C ZINC001357270089 886401267 /nfs/dbraw/zinc/40/12/67/886401267.db2.gz HNKHZXDVIDYCBF-SNVBAGLBSA-N 0 3 286.376 -1.025 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@H](C)CNC(=O)C(N)=O ZINC001357033806 886391411 /nfs/dbraw/zinc/39/14/11/886391411.db2.gz ZYMBCZIYHYMVNY-ZETCQYMHSA-N 0 3 281.316 -1.386 20 0 CAADHN CC(C)[C@H](C(=O)NC[C@@H](O)CNC(=O)C(N)=O)N(C)C ZINC001357461321 886410171 /nfs/dbraw/zinc/41/01/71/886410171.db2.gz WIIFELRSJIBXPY-RKDXNWHRSA-N 0 3 288.348 -2.349 20 0 CAADHN CC[C@H](C(=O)N1CC[C@](C)(NC(=O)C(N)=O)C1)N(C)C ZINC001358804810 886443242 /nfs/dbraw/zinc/44/32/42/886443242.db2.gz ALUMABWMIOAAAH-RNCFNFMXSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(CC(=O)N1CCN(CCO)CC1)[C@@H]1CCC[C@H]1O ZINC001362096196 886535239 /nfs/dbraw/zinc/53/52/39/886535239.db2.gz YJVCZKHRHQLLET-CHWSQXEVSA-N 0 3 285.388 -1.032 20 0 CAADHN O=C([C@@H]1CCS(=O)(=O)N1)N1CC(N[C@H]2CCOC2)C1 ZINC001363632839 886953622 /nfs/dbraw/zinc/95/36/22/886953622.db2.gz MZPFKLCYDQFQNC-WPRPVWTQSA-N 0 3 289.357 -1.733 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001363696577 886962800 /nfs/dbraw/zinc/96/28/00/886962800.db2.gz JRXBGMDQJHPHCY-QMMMGPOBSA-N 0 3 292.361 -2.371 20 0 CAADHN NC(=O)[C@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1C(N)=O ZINC001363812731 886987290 /nfs/dbraw/zinc/98/72/90/886987290.db2.gz SGYKRMJVYLBOMQ-XHNCKOQMSA-N 0 3 289.357 -2.060 20 0 CAADHN CNC(=O)C1(NCCN2CCNC2=O)CCOCC1 ZINC001363834797 886991544 /nfs/dbraw/zinc/99/15/44/886991544.db2.gz SIYFAJKYENDSFU-UHFFFAOYSA-N 0 3 270.333 -1.104 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@H](O)Cn1ccnn1 ZINC001364007306 887019691 /nfs/dbraw/zinc/01/96/91/887019691.db2.gz XCXWVYVBKYBRHY-JTQLQIEISA-N 0 3 291.377 -1.490 20 0 CAADHN O=C(CN1CCC(CO)CC1)NCc1nc(CO)n[nH]1 ZINC001364102469 887034357 /nfs/dbraw/zinc/03/43/57/887034357.db2.gz PFKMZARGWLYFTC-UHFFFAOYSA-N 0 3 283.332 -1.383 20 0 CAADHN CC(C)[C@@H](C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)N(C)C ZINC001364212610 887046761 /nfs/dbraw/zinc/04/67/61/887046761.db2.gz ZCRZKDHQDJYJKA-GUBZILKMSA-N 0 3 284.360 -1.382 20 0 CAADHN CS(=O)(=O)NC[C@H]1CCN(CCCS(N)(=O)=O)C1 ZINC001364493096 887098998 /nfs/dbraw/zinc/09/89/98/887098998.db2.gz WQIQDGMJLKBAFK-SECBINFHSA-N 0 3 299.418 -1.464 20 0 CAADHN CNC(=O)N[C@H]1CCCN(CCC(=O)NC(N)=O)C1 ZINC001364511446 887103593 /nfs/dbraw/zinc/10/35/93/887103593.db2.gz WUROJDYBFDEOBO-QMMMGPOBSA-N 0 3 271.321 -1.035 20 0 CAADHN NC(=O)[C@H](CO)NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC001364859738 887145311 /nfs/dbraw/zinc/14/53/11/887145311.db2.gz SOWGETKJCCZPMR-ONGXEEELSA-N 0 3 291.373 -1.762 20 0 CAADHN CN(C)c1nc(N)nc(C(=O)NCCN(C)CCO)n1 ZINC001364836630 887141627 /nfs/dbraw/zinc/14/16/27/887141627.db2.gz RHKVAMNPKYZHPK-UHFFFAOYSA-N 0 3 283.336 -1.826 20 0 CAADHN O=S1(=O)CCCN1CCN1C[C@H](CO)[C@H](CCO)C1 ZINC001364843341 887145924 /nfs/dbraw/zinc/14/59/24/887145924.db2.gz KMXOWUIUVROGAU-VXGBXAGGSA-N 0 3 292.401 -1.055 20 0 CAADHN CS(=O)(=O)NC[C@H]1CCN(CCC(=O)NC(N)=O)C1 ZINC001365331613 887193777 /nfs/dbraw/zinc/19/37/77/887193777.db2.gz BLPSKQNVJCLOOQ-MRVPVSSYSA-N 0 3 292.361 -1.558 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001366254431 887280432 /nfs/dbraw/zinc/28/04/32/887280432.db2.gz CMJIXFKCSOOHQQ-ZCFIWIBFSA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCOC1)NCC(=O)NC(N)=O ZINC001366257071 887280961 /nfs/dbraw/zinc/28/09/61/887280961.db2.gz IIGPZHALYHONMM-HTQZYQBOSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCNS(C)(=O)=O ZINC001366287025 887284810 /nfs/dbraw/zinc/28/48/10/887284810.db2.gz VZUPITWCQQFVCV-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN C[C@@H](CNC(=O)COCc1nccn1C)NCC(N)=O ZINC001366305308 887291287 /nfs/dbraw/zinc/29/12/87/887291287.db2.gz ZKZNGHCRJBIECP-VIFPVBQESA-N 0 3 283.332 -1.484 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001366375284 887294316 /nfs/dbraw/zinc/29/43/16/887294316.db2.gz MJEMAYVBABSGCG-DTWKUNHWSA-N 0 3 284.316 -1.449 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)N[C@H]1CCNC1=O ZINC001366372252 887294351 /nfs/dbraw/zinc/29/43/51/887294351.db2.gz NPUVWKLCDDXILQ-YUMQZZPRSA-N 0 3 271.321 -1.972 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001366374402 887294375 /nfs/dbraw/zinc/29/43/75/887294375.db2.gz LFXALTDIKLLKEJ-BDAKNGLRSA-N 0 3 291.373 -1.644 20 0 CAADHN C[C@@H](CNC(=O)C[C@H]1CCOC1)NCC(=O)NC(N)=O ZINC001366257233 887278244 /nfs/dbraw/zinc/27/82/44/887278244.db2.gz FLYFTYBHQHRKGR-DTWKUNHWSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C[C@@H](C)OC ZINC001366264237 887279200 /nfs/dbraw/zinc/27/92/00/887279200.db2.gz SQCIBDHZHDGRRI-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)CN(C)C(C)=O)C1)C(N)=O ZINC001366375868 887297480 /nfs/dbraw/zinc/29/74/80/887297480.db2.gz VEUKQXOCGHXVNG-WDEREUQCSA-N 0 3 284.360 -1.081 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001366518119 887305029 /nfs/dbraw/zinc/30/50/29/887305029.db2.gz BNHPCVBLUAYRSU-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)NCCN(C)CCO ZINC001366567594 887315418 /nfs/dbraw/zinc/31/54/18/887315418.db2.gz JJBQXDITNVCTTN-UHFFFAOYSA-N 0 3 282.366 -2.577 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001366555140 887315617 /nfs/dbraw/zinc/31/56/17/887315617.db2.gz HTWFETTZFXDGBK-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)CN1CCNC(=O)C1 ZINC001366561961 887317135 /nfs/dbraw/zinc/31/71/35/887317135.db2.gz XKFYXBUJMGGODA-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN CN(CCCF)CCNC(=O)Cn1ncn(C)c1=O ZINC001366552898 887317516 /nfs/dbraw/zinc/31/75/16/887317516.db2.gz UYSLFDGCZIJMLY-UHFFFAOYSA-N 0 3 273.312 -1.011 20 0 CAADHN CCN(CCNC(=O)c1ncn(C)n1)C[C@@H](O)COC ZINC001366613007 887321011 /nfs/dbraw/zinc/32/10/11/887321011.db2.gz YJHRWMSUKWOLBJ-SNVBAGLBSA-N 0 3 285.348 -1.126 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)Cn1cncn1 ZINC001366586079 887322697 /nfs/dbraw/zinc/32/26/97/887322697.db2.gz MVHUBYJFHHQNOK-SNVBAGLBSA-N 0 3 271.321 -1.667 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001366675167 887326191 /nfs/dbraw/zinc/32/61/91/887326191.db2.gz WKXZJEWKTSCKGC-QWRGUYRKSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001366779349 887334036 /nfs/dbraw/zinc/33/40/36/887334036.db2.gz WQRDTSPODQYWAY-BDAKNGLRSA-N 0 3 283.332 -2.006 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H](C)NC(C)=O)C(N)=O ZINC001366758501 887335620 /nfs/dbraw/zinc/33/56/20/887335620.db2.gz CNVVUOMHGLEHGH-SCZZXKLOSA-N 0 3 272.349 -1.177 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H](COC)OC)C1 ZINC001367016031 887360102 /nfs/dbraw/zinc/36/01/02/887360102.db2.gz MDIOACKYEFXNJF-QJPTWQEYSA-N 0 3 290.360 -1.154 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H]1CCN(C[C@H](C)O)C1 ZINC001367031180 887361714 /nfs/dbraw/zinc/36/17/14/887361714.db2.gz VNQVGXMOKPJUTH-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001366835034 887342144 /nfs/dbraw/zinc/34/21/44/887342144.db2.gz VIRTYCLJVBNPPL-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CN(C)CCO1)NCC(=O)NC ZINC001367086748 887368306 /nfs/dbraw/zinc/36/83/06/887368306.db2.gz GTGWQZXXMWUFHJ-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CNC(=O)NC)CCCC1 ZINC001367315931 887375094 /nfs/dbraw/zinc/37/50/94/887375094.db2.gz BJPRXGHVKLAAQD-UHFFFAOYSA-N 0 3 299.375 -1.320 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(N)=O ZINC001367466692 887379480 /nfs/dbraw/zinc/37/94/80/887379480.db2.gz RQNWPKMSAXSTRQ-SFYZADRCSA-N 0 3 272.305 -1.690 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CCNC1=O ZINC001367357709 887380300 /nfs/dbraw/zinc/38/03/00/887380300.db2.gz KFEJGEIDPNKMMK-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(CCCO)C1 ZINC001367011266 887362978 /nfs/dbraw/zinc/36/29/78/887362978.db2.gz AEZPBFQVJSPDNK-VIFPVBQESA-N 0 3 294.377 -2.387 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(C)CCN(C)CCO ZINC001367521257 887388417 /nfs/dbraw/zinc/38/84/17/887388417.db2.gz XKRRNAJRBCQSNE-UHFFFAOYSA-N 0 3 288.348 -2.379 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1ccccc1[O-] ZINC001367569206 887389950 /nfs/dbraw/zinc/38/99/50/887389950.db2.gz IPNRAPXPIDDXRW-VIFPVBQESA-N 0 3 281.312 -1.182 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccon1 ZINC001367565743 887392266 /nfs/dbraw/zinc/39/22/66/887392266.db2.gz JDQNWUDCYYLLRI-HTQZYQBOSA-N 0 3 270.289 -1.511 20 0 CAADHN CC(F)(F)C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001367564331 887392296 /nfs/dbraw/zinc/39/22/96/887392296.db2.gz NIHZHUVIGICYDM-HTQZYQBOSA-N 0 3 279.287 -1.013 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)CNC(C)=O)C(N)=O ZINC001367570081 887395403 /nfs/dbraw/zinc/39/54/03/887395403.db2.gz WIBAJHYKAHUJMA-DTWKUNHWSA-N 0 3 274.321 -2.547 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCn1ccnn1 ZINC001367576909 887395624 /nfs/dbraw/zinc/39/56/24/887395624.db2.gz GIAGKLCNZCCXEK-VIFPVBQESA-N 0 3 284.320 -2.519 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)CC(C)(C)O)C1=O ZINC001367578252 887395898 /nfs/dbraw/zinc/39/58/98/887395898.db2.gz HVQBXNCZEUJCJR-ZJUUUORDSA-N 0 3 287.360 -1.555 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001367583661 887400362 /nfs/dbraw/zinc/40/03/62/887400362.db2.gz OGCASHPOFWSRJV-DTWKUNHWSA-N 0 3 287.316 -2.248 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001367644379 887416198 /nfs/dbraw/zinc/41/61/98/887416198.db2.gz LLBWKLBCWNRYGO-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CNC(=O)C1CC1 ZINC001367654282 887420797 /nfs/dbraw/zinc/42/07/97/887420797.db2.gz AQAHBQXGUQGEDQ-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)[C@H](C)NC(N)=O ZINC001367667492 887420933 /nfs/dbraw/zinc/42/09/33/887420933.db2.gz ZYGGFNNJTBTGIY-HRDYMLBCSA-N 0 3 287.364 -1.386 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001367672374 887422133 /nfs/dbraw/zinc/42/21/33/887422133.db2.gz RUVCBVWYPKYCPV-BDAKNGLRSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H](C)CC(N)=O ZINC001367691229 887423138 /nfs/dbraw/zinc/42/31/38/887423138.db2.gz CESKOUXETWZXGV-DTWKUNHWSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CNCC(=O)NCC1CC1 ZINC001367673685 887424483 /nfs/dbraw/zinc/42/44/83/887424483.db2.gz GULNILUXBORBJZ-SECBINFHSA-N 0 3 299.375 -1.464 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001367710726 887425532 /nfs/dbraw/zinc/42/55/32/887425532.db2.gz JSFKUOVBQXVJGC-HRDYMLBCSA-N 0 3 287.364 -1.209 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@H](C)NC(N)=O ZINC001367725817 887425849 /nfs/dbraw/zinc/42/58/49/887425849.db2.gz OGXMZPNZIVFHFS-IUCAKERBSA-N 0 3 299.375 -1.336 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H]1CN(C(C)=O)CCO1 ZINC001368503875 887490263 /nfs/dbraw/zinc/49/02/63/887490263.db2.gz SLCPOQIABHWHFM-SECBINFHSA-N 0 3 272.305 -1.721 20 0 CAADHN C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1NCC(=O)N(C)C ZINC001368667645 887498153 /nfs/dbraw/zinc/49/81/53/887498153.db2.gz ONWJFBNIULPBDR-ZJUUUORDSA-N 0 3 299.375 -1.431 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001368866229 887505244 /nfs/dbraw/zinc/50/52/44/887505244.db2.gz IPXRTSCHALTYAF-BDAKNGLRSA-N 0 3 285.348 -2.614 20 0 CAADHN CNC(=O)CCCC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001368848675 887505280 /nfs/dbraw/zinc/50/52/80/887505280.db2.gz UUNSQMVEKHNPDR-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001368937032 887510528 /nfs/dbraw/zinc/51/05/28/887510528.db2.gz BDZGAQCOWBITQJ-ZJUUUORDSA-N 0 3 286.336 -1.883 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001368874198 887506749 /nfs/dbraw/zinc/50/67/49/887506749.db2.gz IDYSVGRBAKSMKQ-QWRGUYRKSA-N 0 3 286.376 -1.323 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N(C)C ZINC001368842942 887506791 /nfs/dbraw/zinc/50/67/91/887506791.db2.gz IHEMDKDKKCLURO-RKDXNWHRSA-N 0 3 287.364 -1.514 20 0 CAADHN C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)NCC(N)=O ZINC001369301253 887529053 /nfs/dbraw/zinc/52/90/53/887529053.db2.gz PHMNFTJTDGCVDY-VIFPVBQESA-N 0 3 282.348 -1.331 20 0 CAADHN COCC(=O)NC[C@H](CO)NCCn1nc(C)nc1C ZINC001369295703 887529074 /nfs/dbraw/zinc/52/90/74/887529074.db2.gz JQKBWTGDFWXRJW-LLVKDONJSA-N 0 3 285.348 -1.392 20 0 CAADHN COC[C@H](O)CN1CC([C@@H](C)NC(=O)CNC(C)=O)C1 ZINC001369074547 887522419 /nfs/dbraw/zinc/52/24/19/887522419.db2.gz WNQGUEWNSGJMBE-BXKDBHETSA-N 0 3 287.360 -1.434 20 0 CAADHN CO[C@@H](C)C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001369238109 887526042 /nfs/dbraw/zinc/52/60/42/887526042.db2.gz RPBGRSAYQGOWSZ-SFYZADRCSA-N 0 3 274.321 -1.347 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001369252250 887527400 /nfs/dbraw/zinc/52/74/00/887527400.db2.gz SHJRXUAIIUVILQ-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C1=CCOCC1 ZINC001369455843 887567794 /nfs/dbraw/zinc/56/77/94/887567794.db2.gz MSWZIZXMPGKXRJ-PWSUYJOCSA-N 0 3 299.371 -1.124 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001369450004 887567814 /nfs/dbraw/zinc/56/78/14/887567814.db2.gz AWSILSDCEWNULO-ZJUUUORDSA-N 0 3 273.333 -1.822 20 0 CAADHN COC1(CC(=O)N(C)C[C@H](O)CNCC(N)=O)CCC1 ZINC001369454030 887568038 /nfs/dbraw/zinc/56/80/38/887568038.db2.gz GLFCIGYYJJNJEC-SNVBAGLBSA-N 0 3 287.360 -1.160 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CN1CCCC1=O ZINC001369446579 887568174 /nfs/dbraw/zinc/56/81/74/887568174.db2.gz RYNBXTHVVICAMY-VIFPVBQESA-N 0 3 286.332 -2.497 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CO[C@H]1CCOC1 ZINC001369465539 887571860 /nfs/dbraw/zinc/57/18/60/887571860.db2.gz HACZRDOBVAPDGE-ZJUUUORDSA-N 0 3 289.332 -2.314 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001369465776 887573513 /nfs/dbraw/zinc/57/35/13/887573513.db2.gz CDICJZILWAFDLD-SNVBAGLBSA-N 0 3 284.316 -1.628 20 0 CAADHN CCNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCCN1C ZINC001369355564 887552843 /nfs/dbraw/zinc/55/28/43/887552843.db2.gz QTARMNGEJBSBLQ-WDEREUQCSA-N 0 3 286.376 -1.717 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001369495462 887582905 /nfs/dbraw/zinc/58/29/05/887582905.db2.gz OKHYJUDGVUGUFH-LLVKDONJSA-N 0 3 270.333 -1.223 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001369506016 887583795 /nfs/dbraw/zinc/58/37/95/887583795.db2.gz IMIDITCAGZJOPO-QMMMGPOBSA-N 0 3 274.296 -1.094 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001369502902 887584413 /nfs/dbraw/zinc/58/44/13/887584413.db2.gz DKKDZZCFNMDFBN-VIFPVBQESA-N 0 3 276.337 -2.341 20 0 CAADHN CC[C@H](C(=O)N(C)C[C@H](O)CN(C)CC(N)=O)N(C)C ZINC001369513557 887584546 /nfs/dbraw/zinc/58/45/46/887584546.db2.gz MQSYHNSSHYKEDO-GHMZBOCLSA-N 0 3 288.392 -1.437 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001370396883 887605919 /nfs/dbraw/zinc/60/59/19/887605919.db2.gz PTKMOJRUVKDJBI-AEJSXWLSSA-N 0 3 282.344 -1.614 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001370395463 887606043 /nfs/dbraw/zinc/60/60/43/887606043.db2.gz RRAIBDVAUJRJLV-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CCC(=O)NCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001370913817 887640145 /nfs/dbraw/zinc/64/01/45/887640145.db2.gz CRPSPBQSVMPMBA-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCO1 ZINC001371104105 887646986 /nfs/dbraw/zinc/64/69/86/887646986.db2.gz MKZRKYSZWHUIEF-RKDXNWHRSA-N 0 3 286.332 -1.285 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001371444543 887659885 /nfs/dbraw/zinc/65/98/85/887659885.db2.gz QKCVABLDWZINJL-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)CC1(O)CCC1)NCC(=O)NC(N)=O ZINC001371188348 887650913 /nfs/dbraw/zinc/65/09/13/887650913.db2.gz VDUHZMXIKIIEJF-MRVPVSSYSA-N 0 3 286.332 -1.419 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)CN1CCOCC1 ZINC001371952901 887676517 /nfs/dbraw/zinc/67/65/17/887676517.db2.gz KEAMFIJXHRXNCU-LBPRGKRZSA-N 0 3 289.376 -1.626 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CC(C)(C)O)C(=O)NC(N)=O ZINC001372940493 887714793 /nfs/dbraw/zinc/71/47/93/887714793.db2.gz LGDCTCURDUQZQY-MRVPVSSYSA-N 0 3 288.348 -1.221 20 0 CAADHN CCCN(C)CC(=O)NC1CN([C@H](C)C(=O)NC(N)=O)C1 ZINC001373469738 887741657 /nfs/dbraw/zinc/74/16/57/887741657.db2.gz DOVWWFRNOZZMNQ-SECBINFHSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@@H](C(=O)NC1CN(CC(=O)NC(=O)NC)C1)N(C)C ZINC001373468896 887743587 /nfs/dbraw/zinc/74/35/87/887743587.db2.gz JDKGBZGJFCPBLD-JTQLQIEISA-N 0 3 299.375 -1.417 20 0 CAADHN COCC(=O)NCCC(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001373669084 887763212 /nfs/dbraw/zinc/76/32/12/887763212.db2.gz ATWDLBRMPLTIDJ-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)N[C@@H](C)C(N)=O ZINC001373757605 887765203 /nfs/dbraw/zinc/76/52/03/887765203.db2.gz YXRUSBYGRZLKAT-CBAPKCEASA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NCC1CN(CCO)C1 ZINC001373558305 887749551 /nfs/dbraw/zinc/74/95/51/887749551.db2.gz TUBHDXPUBNKBCD-GFCCVEGCSA-N 0 3 285.388 -1.005 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001373604449 887756470 /nfs/dbraw/zinc/75/64/70/887756470.db2.gz PDSFWKNYAVCMOB-MMWGEVLESA-N 0 3 285.344 -1.694 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)COC ZINC001374565509 887792666 /nfs/dbraw/zinc/79/26/66/887792666.db2.gz CLQHCIMISKJGNH-HTQZYQBOSA-N 0 3 290.320 -2.456 20 0 CAADHN COCCC(=O)NC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001374563575 887793236 /nfs/dbraw/zinc/79/32/36/887793236.db2.gz AJPYGACEXJFRGD-SECBINFHSA-N 0 3 271.321 -1.284 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001374256315 887781321 /nfs/dbraw/zinc/78/13/21/887781321.db2.gz ZIEZITFEACVXCV-ZANVPECISA-N 0 3 284.360 -1.176 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCOC1 ZINC001374588780 887803990 /nfs/dbraw/zinc/80/39/90/887803990.db2.gz OEPFKLOADDTHPZ-QWRGUYRKSA-N 0 3 287.360 -1.384 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)C1=COCCC1 ZINC001374592105 887805175 /nfs/dbraw/zinc/80/51/75/887805175.db2.gz TYZRZQNHQLFMMP-MNOVXSKESA-N 0 3 283.328 -1.364 20 0 CAADHN C[C@](O)(CC(=O)NC[C@@H](O)CNCC(N)=O)C1CC1 ZINC001374594205 887805205 /nfs/dbraw/zinc/80/52/05/887805205.db2.gz KMOKOHXRPKNXTB-CABZTGNLSA-N 0 3 273.333 -1.911 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C(C)(C)COC ZINC001374623886 887817650 /nfs/dbraw/zinc/81/76/50/887817650.db2.gz FHXOUNSQYIBWMA-ZJUUUORDSA-N 0 3 289.376 -1.140 20 0 CAADHN CC(C)CC(=O)NC[C@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001374574059 887796750 /nfs/dbraw/zinc/79/67/50/887796750.db2.gz AVTNLDUMVADUAB-RKDXNWHRSA-N 0 3 288.348 -1.317 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cncc(C)c1 ZINC001374590010 887803365 /nfs/dbraw/zinc/80/33/65/887803365.db2.gz SWLUMVRBLZPODL-NSHDSACASA-N 0 3 280.328 -1.184 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1oncc1C ZINC001374660668 887827905 /nfs/dbraw/zinc/82/79/05/887827905.db2.gz HOTLGFUMVPUQNH-DTWKUNHWSA-N 0 3 284.316 -1.202 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001374684931 887833508 /nfs/dbraw/zinc/83/35/08/887833508.db2.gz OLXJKCOTDPRHJU-HTQZYQBOSA-N 0 3 293.345 -2.884 20 0 CAADHN CCNC(=O)CCC(=O)N[C@H](C)CNCC(=O)NC ZINC001374737768 887839859 /nfs/dbraw/zinc/83/98/59/887839859.db2.gz MOLCZUWCHNYODK-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN O=C(NC[C@H](O)CNCc1cnns1)c1nnc[nH]1 ZINC001374655916 887822575 /nfs/dbraw/zinc/82/25/75/887822575.db2.gz FKFUEPHOFCOEGK-ZCFIWIBFSA-N 0 3 283.317 -1.463 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cnns1)c1nnc[nH]1 ZINC001374655874 887822877 /nfs/dbraw/zinc/82/28/77/887822877.db2.gz FKFUEPHOFCOEGK-LURJTMIESA-N 0 3 283.317 -1.463 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001374893735 887853020 /nfs/dbraw/zinc/85/30/20/887853020.db2.gz ATHCFWFZFZDLKQ-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1cncnc1 ZINC001374884095 887853269 /nfs/dbraw/zinc/85/32/69/887853269.db2.gz OKXXXYJSRILOFN-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001375037897 887862818 /nfs/dbraw/zinc/86/28/18/887862818.db2.gz MHPMTVWYADWUTP-NXEZZACHSA-N 0 3 286.336 -1.883 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001375204546 887864238 /nfs/dbraw/zinc/86/42/38/887864238.db2.gz YMIBDRKORMJRAJ-XVKPBYJWSA-N 0 3 270.333 -1.519 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001375207889 887864583 /nfs/dbraw/zinc/86/45/83/887864583.db2.gz FJYJDLGORWQWDM-SNVBAGLBSA-N 0 3 270.333 -1.566 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cnns1 ZINC001376004418 887898334 /nfs/dbraw/zinc/89/83/34/887898334.db2.gz GDUIPOPJLWGEBG-SNVBAGLBSA-N 0 3 272.330 -1.303 20 0 CAADHN CN(CCO)C[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001375681016 887887728 /nfs/dbraw/zinc/88/77/28/887887728.db2.gz SWNJAAQDMWYOTP-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN COCC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)NC(N)=O ZINC001375738549 887888606 /nfs/dbraw/zinc/88/86/06/887888606.db2.gz KTPOVTXPVAMDLU-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CCCN(C)CC(=O)NC[C@@]1(O)CCN(CC(N)=O)C1 ZINC001376086775 887903011 /nfs/dbraw/zinc/90/30/11/887903011.db2.gz BTQQYWBHSRNOII-ZDUSSCGKSA-N 0 3 286.376 -1.634 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001376204474 887916010 /nfs/dbraw/zinc/91/60/10/887916010.db2.gz ILNISFNLHNVQQV-POYBYMJQSA-N 0 3 271.321 -1.987 20 0 CAADHN CC(=O)NCC(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001376534502 887938115 /nfs/dbraw/zinc/93/81/15/887938115.db2.gz WWHAVLVEZXIQOJ-MRVPVSSYSA-N 0 3 274.321 -2.593 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001376552682 887942749 /nfs/dbraw/zinc/94/27/49/887942749.db2.gz WQIMXQHBZJTRFC-JGVFFNPUSA-N 0 3 287.320 -3.048 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C1=CCOCC1)C(N)=O ZINC001376540276 887942770 /nfs/dbraw/zinc/94/27/70/887942770.db2.gz PHRXVYQKNKEKLG-JTQLQIEISA-N 0 3 285.344 -1.383 20 0 CAADHN C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)NCCF ZINC001376732046 887956797 /nfs/dbraw/zinc/95/67/97/887956797.db2.gz NFYQYWSKRUOKQN-SSDOTTSWSA-N 0 3 272.284 -1.559 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCn1cnnn1 ZINC001376838213 887961098 /nfs/dbraw/zinc/96/10/98/887961098.db2.gz RFUBRUNRNGUENR-RKDXNWHRSA-N 0 3 283.336 -1.708 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001376897747 887967995 /nfs/dbraw/zinc/96/79/95/887967995.db2.gz WRIUGZJSHRSSTM-QMMMGPOBSA-N 0 3 272.305 -1.721 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCC(N)=O ZINC001376946476 887969505 /nfs/dbraw/zinc/96/95/05/887969505.db2.gz ZVYFVYYAOJYYCS-SFYZADRCSA-N 0 3 271.321 -1.891 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001377145685 887979353 /nfs/dbraw/zinc/97/93/53/887979353.db2.gz QIPCKSAXVNJOGY-IUCAKERBSA-N 0 3 275.305 -1.850 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001377222505 887981595 /nfs/dbraw/zinc/98/15/95/887981595.db2.gz CCCOZTCDUXKXKJ-SFYZADRCSA-N 0 3 272.305 -1.987 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001377568031 887999588 /nfs/dbraw/zinc/99/95/88/887999588.db2.gz DGDSFJNNQFPCLP-NSHDSACASA-N 0 3 284.360 -1.257 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)[C@H](C)NC(N)=O)C1=O ZINC001377572941 888001418 /nfs/dbraw/zinc/00/14/18/888001418.db2.gz AXPGMOBFZNHOQF-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001377593325 888005994 /nfs/dbraw/zinc/00/59/94/888005994.db2.gz OWAZJQCOCOCHKO-JTQLQIEISA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H]([NH2+]CC(=O)N(C)C)[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001377879811 888018146 /nfs/dbraw/zinc/01/81/46/888018146.db2.gz HEYTVHLKLNFJGQ-BDAKNGLRSA-N 0 3 282.348 -1.082 20 0 CAADHN CNC(=O)NCC(=O)NCC1CN([C@H](C)COC)C1 ZINC001377975006 888026837 /nfs/dbraw/zinc/02/68/37/888026837.db2.gz MTVYDSKJNSLFHZ-SECBINFHSA-N 0 3 272.349 -1.002 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001379170969 888092402 /nfs/dbraw/zinc/09/24/02/888092402.db2.gz SVJXSBGIWPNMSD-RKDXNWHRSA-N 0 3 286.332 -2.580 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CC[C@H]1CCCO1 ZINC001379164889 888094728 /nfs/dbraw/zinc/09/47/28/888094728.db2.gz ICXWCRZWTGUQIE-WDEREUQCSA-N 0 3 287.360 -1.242 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001379168906 888094779 /nfs/dbraw/zinc/09/47/79/888094779.db2.gz SFZATTSTHOIJFV-MWLCHTKSSA-N 0 3 280.328 -1.056 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001379176818 888096027 /nfs/dbraw/zinc/09/60/27/888096027.db2.gz PZVHJCQFLCDRBB-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN CCOCC(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001379176823 888098751 /nfs/dbraw/zinc/09/87/51/888098751.db2.gz PZVHJCQFLCDRBB-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ncc[nH]1)C(=O)N(C)C ZINC001379195087 888102437 /nfs/dbraw/zinc/10/24/37/888102437.db2.gz FBGPMXASMGWHCK-RKDXNWHRSA-N 0 3 283.332 -1.433 20 0 CAADHN CCc1c[nH]c(CC(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001379208695 888104243 /nfs/dbraw/zinc/10/42/43/888104243.db2.gz XQZSFORHAWJWQK-VIFPVBQESA-N 0 3 283.332 -1.933 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001379254255 888114946 /nfs/dbraw/zinc/11/49/46/888114946.db2.gz OOYIJYCWZPNJFZ-QMMMGPOBSA-N 0 3 284.320 -2.416 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001379330462 888121383 /nfs/dbraw/zinc/12/13/83/888121383.db2.gz QLPKYGYUKCDEHM-BDAKNGLRSA-N 0 3 284.360 -1.116 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O ZINC001379318600 888121406 /nfs/dbraw/zinc/12/14/06/888121406.db2.gz DZUVIZVTYVDASI-RKDXNWHRSA-N 0 3 293.389 -1.269 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)Cn1cncn1 ZINC001379311534 888122393 /nfs/dbraw/zinc/12/23/93/888122393.db2.gz KDZCFAGTXLMQKO-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN CC[C@H](CNC(=O)C[C@@H](C)NC(N)=O)NCC(=O)NC ZINC001378254691 888046628 /nfs/dbraw/zinc/04/66/28/888046628.db2.gz YKIAGMVHBAVMRW-RKDXNWHRSA-N 0 3 287.364 -1.336 20 0 CAADHN CN(C(=O)[C@@H]1CCC(=O)N1)[C@H](CNCC(N)=O)C1CC1 ZINC001379057382 888080639 /nfs/dbraw/zinc/08/06/39/888080639.db2.gz MOCJFWRYEYZCQD-VHSXEESVSA-N 0 3 282.344 -1.423 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H]1CCCNC1=O ZINC001379065703 888086465 /nfs/dbraw/zinc/08/64/65/888086465.db2.gz OMGTYEYNLUKOEM-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001379456499 888146136 /nfs/dbraw/zinc/14/61/36/888146136.db2.gz DYFBWXYKUIFURH-SFYZADRCSA-N 0 3 281.316 -1.638 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001379482613 888149377 /nfs/dbraw/zinc/14/93/77/888149377.db2.gz RAJUYFRFIZMMDN-VGMNWLOBSA-N 0 3 285.348 -1.502 20 0 CAADHN COCCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001379470818 888150218 /nfs/dbraw/zinc/15/02/18/888150218.db2.gz ABNYOPPDZFCRPT-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)Cn1cnnn1 ZINC001379482812 888151012 /nfs/dbraw/zinc/15/10/12/888151012.db2.gz KEAMRPQLDNDKFJ-QMMMGPOBSA-N 0 3 281.320 -1.954 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001379515579 888161507 /nfs/dbraw/zinc/16/15/07/888161507.db2.gz VXCVCFUUOIUXPH-JGVFFNPUSA-N 0 3 291.373 -1.740 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H](CO)N[C@H](C)C(N)=O ZINC001379531557 888163073 /nfs/dbraw/zinc/16/30/73/888163073.db2.gz WKGQPYUQCCKHGO-SCZZXKLOSA-N 0 3 283.332 -1.868 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCn1cnnn1 ZINC001379562595 888163097 /nfs/dbraw/zinc/16/30/97/888163097.db2.gz QVLHTAJUZPDYOU-DTWKUNHWSA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCNC(N)=O ZINC001379600485 888166414 /nfs/dbraw/zinc/16/64/14/888166414.db2.gz RMSSFNWIZREVFO-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CCCC(N)=O ZINC001379605775 888166602 /nfs/dbraw/zinc/16/66/02/888166602.db2.gz LIOLNWGCWTTXED-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cnsn1)C(N)=O ZINC001379740596 888169578 /nfs/dbraw/zinc/16/95/78/888169578.db2.gz GLABFPWHFSVFED-NKWVEPMBSA-N 0 3 287.345 -1.566 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@H]1COC(=O)C1 ZINC001379763401 888170107 /nfs/dbraw/zinc/17/01/07/888170107.db2.gz BWVZCAXQANMNRA-RKDXNWHRSA-N 0 3 287.316 -2.166 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cocn1)C(N)=O ZINC001379753364 888170577 /nfs/dbraw/zinc/17/05/77/888170577.db2.gz BALFHOKECXKVPJ-IUCAKERBSA-N 0 3 284.316 -1.039 20 0 CAADHN CCC(=O)NC[C@H](CO)NC[C@@H]1CCS(=O)(=O)C1 ZINC001379333483 888124752 /nfs/dbraw/zinc/12/47/52/888124752.db2.gz IUDIUEMIJDLBPD-VHSXEESVSA-N 0 3 278.374 -1.102 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)CS(C)(=O)=O)n[nH]1 ZINC001379344042 888125031 /nfs/dbraw/zinc/12/50/31/888125031.db2.gz LNUUJEQWHXOXAR-SSDOTTSWSA-N 0 3 289.361 -1.248 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001379389320 888133607 /nfs/dbraw/zinc/13/36/07/888133607.db2.gz QYGFIQURWXHWNH-HTQZYQBOSA-N 0 3 279.362 -1.740 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@H]1CCCO1)C(N)=O ZINC001380761669 888229493 /nfs/dbraw/zinc/22/94/93/888229493.db2.gz DIADQZMOUMGNOD-ZJUUUORDSA-N 0 3 273.333 -1.550 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cn(C)nn1)C(N)=O ZINC001380768940 888231187 /nfs/dbraw/zinc/23/11/87/888231187.db2.gz RQUJERZQJMFVRT-QMMMGPOBSA-N 0 3 284.320 -2.287 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)Cn1cncn1 ZINC001379783397 888173690 /nfs/dbraw/zinc/17/36/90/888173690.db2.gz YFRTVQPASNGFFN-WDEREUQCSA-N 0 3 285.348 -1.278 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001379971627 888186626 /nfs/dbraw/zinc/18/66/26/888186626.db2.gz XPQGXNLCUSXNAU-ZYHUDNBSSA-N 0 3 278.324 -1.142 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cnon1)C(N)=O ZINC001380768014 888233888 /nfs/dbraw/zinc/23/38/88/888233888.db2.gz WVUOWGWSLBHFGX-ZETCQYMHSA-N 0 3 271.277 -2.033 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)CC(C)(C)O ZINC001381356782 888251122 /nfs/dbraw/zinc/25/11/22/888251122.db2.gz AVWFCBJDUIFTMP-SFYZADRCSA-N 0 3 288.348 -1.175 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001382069583 888276114 /nfs/dbraw/zinc/27/61/14/888276114.db2.gz KYJKZINBCBTEJR-JGVFFNPUSA-N 0 3 272.305 -1.723 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001382059793 888277459 /nfs/dbraw/zinc/27/74/59/888277459.db2.gz NJGWRXYBGBNUQH-MNOVXSKESA-N 0 3 286.376 -1.501 20 0 CAADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)N[C@H]1CCN(C)C1=O ZINC001382158525 888278773 /nfs/dbraw/zinc/27/87/73/888278773.db2.gz JAJPJXHJPUCXMJ-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CN(C)C(=O)c1nc[nH]n1)NCCS(C)(=O)=O ZINC001382142221 888279487 /nfs/dbraw/zinc/27/94/87/888279487.db2.gz NNTBNVGSCCCPSO-MRVPVSSYSA-N 0 3 289.361 -1.101 20 0 CAADHN CC[C@H](C(=O)NC1(CCO)CN(CCO)C1)N(C)C ZINC001381737355 888265432 /nfs/dbraw/zinc/26/54/32/888265432.db2.gz JENKSJUXEWZWCO-LLVKDONJSA-N 0 3 273.377 -1.128 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)NCC(N)=O ZINC001382117385 888280623 /nfs/dbraw/zinc/28/06/23/888280623.db2.gz RRLLJVRHGRFAPL-TVQRCGJNSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CCNC(N)=O ZINC001382305992 888333456 /nfs/dbraw/zinc/33/34/56/888333456.db2.gz PYNLEIXTQXJTSW-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001382460920 888363651 /nfs/dbraw/zinc/36/36/51/888363651.db2.gz KIYBEBGNQDWXTC-JTQLQIEISA-N 0 3 284.316 -1.461 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CNCC(N)=O)C(C)(C)C ZINC001382524042 888367462 /nfs/dbraw/zinc/36/74/62/888367462.db2.gz UQIXBBBVMAGVTE-MRVPVSSYSA-N 0 3 287.364 -1.479 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N[C@@H](C)C(=O)N(C)C ZINC001390298333 888575166 /nfs/dbraw/zinc/57/51/66/888575166.db2.gz SRQUWEVGVAKSFZ-IUCAKERBSA-N 0 3 283.336 -1.756 20 0 CAADHN Cc1nc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)co1 ZINC001390344249 888576695 /nfs/dbraw/zinc/57/66/95/888576695.db2.gz NELAUCCLCRFESD-LURJTMIESA-N 0 3 283.288 -1.114 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cn(C)ccc1=O ZINC001390432096 888579883 /nfs/dbraw/zinc/57/98/83/888579883.db2.gz NSZFHNOCHIUGBK-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001389776516 888561378 /nfs/dbraw/zinc/56/13/78/888561378.db2.gz LMOOAOLOUKBNTD-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001390551505 888589927 /nfs/dbraw/zinc/58/99/27/888589927.db2.gz DIJNHLCZOVKRBR-DTWKUNHWSA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001390866638 888607340 /nfs/dbraw/zinc/60/73/40/888607340.db2.gz UIODPRDUSZLDLT-VIFPVBQESA-N 0 3 270.333 -1.234 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1COC(=O)N1)C(=O)N(C)C ZINC001391204309 888613895 /nfs/dbraw/zinc/61/38/95/888613895.db2.gz DIINJSLESDFBKE-DTWKUNHWSA-N 0 3 286.332 -1.381 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CS(=O)(=O)CC)C(N)=O ZINC001391227050 888618186 /nfs/dbraw/zinc/61/81/86/888618186.db2.gz QZNOGOSKUCAUTJ-SECBINFHSA-N 0 3 293.389 -1.267 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)C[C@@H](C)NC(N)=O)C(N)=O ZINC001391210620 888618221 /nfs/dbraw/zinc/61/82/21/888618221.db2.gz QNVDKMOXWPPUBL-RKDXNWHRSA-N 0 3 287.364 -1.255 20 0 CAADHN CS(=O)(=O)NCCC(=O)NC[C@H]1CCCN1CCO ZINC001391056619 888611060 /nfs/dbraw/zinc/61/10/60/888611060.db2.gz ONJLRPXUNBXURK-SNVBAGLBSA-N 0 3 293.389 -1.501 20 0 CAADHN CC[C@@H](CNC(=O)c1cnn(C)c1N)N[C@@H](C)C(N)=O ZINC001391675417 888640343 /nfs/dbraw/zinc/64/03/43/888640343.db2.gz GBSZSPQLHUVFBM-YUMQZZPRSA-N 0 3 282.348 -1.026 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)NCC(N)=O ZINC001391703128 888643520 /nfs/dbraw/zinc/64/35/20/888643520.db2.gz NIODWTGPZWXVQZ-DTWKUNHWSA-N 0 3 291.373 -1.609 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)c1nnn(C)n1 ZINC001391723967 888644232 /nfs/dbraw/zinc/64/42/32/888644232.db2.gz XYXBREUFDRRSSA-MRVPVSSYSA-N 0 3 283.336 -1.556 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CN1CCCNC1=O ZINC001392073302 888661795 /nfs/dbraw/zinc/66/17/95/888661795.db2.gz DGWXSFYFAABSIJ-SECBINFHSA-N 0 3 285.348 -1.677 20 0 CAADHN CCN1C[C@@H](C(=O)N(C)[C@@H](C)CNCC(N)=O)CC1=O ZINC001392078196 888662546 /nfs/dbraw/zinc/66/25/46/888662546.db2.gz UNSOYQFQMYGWNK-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001392049195 888663136 /nfs/dbraw/zinc/66/31/36/888663136.db2.gz JJABWEZAUYFWPA-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@@H](O)CNCC(N)=O)o1 ZINC001392364002 888683917 /nfs/dbraw/zinc/68/39/17/888683917.db2.gz JKIRVMLJFBHOHL-QMMMGPOBSA-N 0 3 270.289 -1.543 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001392366297 888684357 /nfs/dbraw/zinc/68/43/57/888684357.db2.gz AUJXEELDQVNGDG-MRVPVSSYSA-N 0 3 284.320 -2.369 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)COC(C)(C)C ZINC001392364818 888684380 /nfs/dbraw/zinc/68/43/80/888684380.db2.gz HGBRGSCPWJDWJN-VIFPVBQESA-N 0 3 275.349 -1.386 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C(C)C ZINC001392213860 888668018 /nfs/dbraw/zinc/66/80/18/888668018.db2.gz BQMBGAAQIMQJHL-GHMZBOCLSA-N 0 3 298.387 -1.059 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(N)=O ZINC001392208230 888668106 /nfs/dbraw/zinc/66/81/06/888668106.db2.gz CGBVKYCEOULPPC-BDAKNGLRSA-N 0 3 270.333 -1.519 20 0 CAADHN CC(C)[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)NCC(N)=O ZINC001392237694 888669903 /nfs/dbraw/zinc/66/99/03/888669903.db2.gz SESOFHRXTLVLLZ-QMMMGPOBSA-N 0 3 283.332 -1.045 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)NC1CCOCC1 ZINC001392336481 888672812 /nfs/dbraw/zinc/67/28/12/888672812.db2.gz AKRORLVHTFNEKX-NSHDSACASA-N 0 3 273.333 -1.632 20 0 CAADHN CN(CCCO)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392301318 888672842 /nfs/dbraw/zinc/67/28/42/888672842.db2.gz SQIRTWCGQPSFQM-JTQLQIEISA-N 0 3 272.349 -1.217 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cccn1C ZINC001392352554 888676545 /nfs/dbraw/zinc/67/65/45/888676545.db2.gz YWLNAXMZXILXPQ-JTQLQIEISA-N 0 3 282.344 -1.159 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnns1 ZINC001392353288 888677455 /nfs/dbraw/zinc/67/74/55/888677455.db2.gz FNSYEKHARNDLOP-SSDOTTSWSA-N 0 3 287.345 -1.693 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001392356732 888679623 /nfs/dbraw/zinc/67/96/23/888679623.db2.gz PIYFIVXIGGDUKT-VIFPVBQESA-N 0 3 283.332 -1.465 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001392389584 888693327 /nfs/dbraw/zinc/69/33/27/888693327.db2.gz CJDRONAVKGGBRW-SECBINFHSA-N 0 3 286.307 -1.030 20 0 CAADHN O=C(COCC(F)F)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392393114 888693365 /nfs/dbraw/zinc/69/33/65/888693365.db2.gz HFGLJQHBQKFUDQ-SFYZADRCSA-N 0 3 295.286 -1.777 20 0 CAADHN CC(F)(F)CC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392392625 888694176 /nfs/dbraw/zinc/69/41/76/888694176.db2.gz LTARBGGFXJJIIS-YUMQZZPRSA-N 0 3 279.287 -1.013 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCCF)C(=O)NC(N)=O ZINC001392399986 888696167 /nfs/dbraw/zinc/69/61/67/888696167.db2.gz QIIZLMNXEAHDOF-HTQZYQBOSA-N 0 3 292.311 -1.614 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001392397724 888698197 /nfs/dbraw/zinc/69/81/97/888698197.db2.gz WUAKJIOHSAJQPP-JGVFFNPUSA-N 0 3 287.320 -3.177 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC12CCOCC2 ZINC001392421363 888703132 /nfs/dbraw/zinc/70/31/32/888703132.db2.gz DDQXZSXGCGGDKV-VHSXEESVSA-N 0 3 285.344 -1.645 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CNCC(N)=O)n(C)c1=O ZINC001392434326 888707604 /nfs/dbraw/zinc/70/76/04/888707604.db2.gz WYRPJXARNYZLGN-ZETCQYMHSA-N 0 3 285.304 -3.111 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001392470213 888710744 /nfs/dbraw/zinc/71/07/44/888710744.db2.gz KPQRNHLULHFORH-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001392527862 888718610 /nfs/dbraw/zinc/71/86/10/888718610.db2.gz ZJZKDEXDUFRJMZ-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCCC(N)=O ZINC001392538127 888720617 /nfs/dbraw/zinc/72/06/17/888720617.db2.gz SEHDGUWDIPWFDU-BDAKNGLRSA-N 0 3 270.333 -1.375 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001392548851 888720631 /nfs/dbraw/zinc/72/06/31/888720631.db2.gz GAZJJAYYNJQIOA-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN COC(=O)NCC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001392757400 888737105 /nfs/dbraw/zinc/73/71/05/888737105.db2.gz CVFVDLZMSQYXJS-MRVPVSSYSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)[C@@H](C)N(C)C[C@H](C)NC(=O)Cc1nnc[nH]1 ZINC001392727736 888737241 /nfs/dbraw/zinc/73/72/41/888737241.db2.gz UFZCTCPHBSLNCH-DTWKUNHWSA-N 0 3 282.348 -1.082 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001392576462 888724636 /nfs/dbraw/zinc/72/46/36/888724636.db2.gz OQEQSPSNARTRNB-TVQRCGJNSA-N 0 3 284.360 -1.257 20 0 CAADHN COCCn1cc(C(=O)N[C@H](C)CN(C)CCO)nn1 ZINC001392658592 888729071 /nfs/dbraw/zinc/72/90/71/888729071.db2.gz PDFJSEUWJRNHIT-SNVBAGLBSA-N 0 3 285.348 -1.033 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CCn1cnnn1)C1CC1 ZINC001392796685 888740923 /nfs/dbraw/zinc/74/09/23/888740923.db2.gz GSGVUAPTKZPPHB-SECBINFHSA-N 0 3 281.320 -1.967 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C[C@H]1CCCO1)C(N)=O ZINC001393468213 888789495 /nfs/dbraw/zinc/78/94/95/888789495.db2.gz USPMTJQSHPGMCU-WDEREUQCSA-N 0 3 287.360 -1.160 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCCOC2)CCO1 ZINC001393587190 888794312 /nfs/dbraw/zinc/79/43/12/888794312.db2.gz UZHXEJFPLDOWFZ-MNOVXSKESA-N 0 3 285.344 -1.285 20 0 CAADHN CC[C@H](C(=O)NCC1(O)CN(CCCO)C1)N(C)C ZINC001393362603 888783717 /nfs/dbraw/zinc/78/37/17/888783717.db2.gz VMDJMTSFJPTCFW-LLVKDONJSA-N 0 3 273.377 -1.128 20 0 CAADHN O=C([C@H]1CCOC1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001393458591 888786449 /nfs/dbraw/zinc/78/64/49/888786449.db2.gz GTENKRDZPBJWCI-WDEREUQCSA-N 0 3 285.344 -1.678 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001394482591 888830523 /nfs/dbraw/zinc/83/05/23/888830523.db2.gz GRYVWMZKVMWVJV-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)CNC(C)=O ZINC001394456395 888831413 /nfs/dbraw/zinc/83/14/13/888831413.db2.gz GFQXLIFSZWVFER-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CS(C)(=O)=O ZINC001394484707 888831832 /nfs/dbraw/zinc/83/18/32/888831832.db2.gz YUTMXTBSKOJCMR-BDAKNGLRSA-N 0 3 293.389 -1.398 20 0 CAADHN CN(CCO)C[C@@H]1CCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001393887660 888808605 /nfs/dbraw/zinc/80/86/05/888808605.db2.gz YDOXTFUPLOCLAZ-WDEREUQCSA-N 0 3 284.360 -1.075 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCN1CCCC1=O ZINC001393990408 888810787 /nfs/dbraw/zinc/81/07/87/888810787.db2.gz CHYFRLOTDBVREW-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)CCO ZINC001394126472 888817407 /nfs/dbraw/zinc/81/74/07/888817407.db2.gz NACCXEMEYMXSPF-VIFPVBQESA-N 0 3 286.332 -1.643 20 0 CAADHN COC[C@H](C)N[C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001394582091 888849860 /nfs/dbraw/zinc/84/98/60/888849860.db2.gz ZQHUWIOUAQGWAH-IUCAKERBSA-N 0 3 282.362 -1.867 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(CC(N)=O)nn1)NCCF ZINC001394567622 888835455 /nfs/dbraw/zinc/83/54/55/888835455.db2.gz QDACTPSTFZOHTG-MRVPVSSYSA-N 0 3 286.311 -1.217 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1ncc[nH]1)C(N)=O ZINC001394734484 888886893 /nfs/dbraw/zinc/88/68/93/888886893.db2.gz OMDCHICOUWOYFJ-RKDXNWHRSA-N 0 3 283.332 -1.304 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CCCOC1 ZINC001394734812 888888182 /nfs/dbraw/zinc/88/81/82/888888182.db2.gz ZGIOZPZMUMXLEM-ZJUUUORDSA-N 0 3 273.333 -1.693 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cocn1 ZINC001394734315 888888361 /nfs/dbraw/zinc/88/83/61/888888361.db2.gz XITSFDYVBODKSN-MRVPVSSYSA-N 0 3 270.289 -1.557 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1)C(N)=O ZINC001394720394 888884209 /nfs/dbraw/zinc/88/42/09/888884209.db2.gz NVKFQOHATSXLDJ-PSASIEDQSA-N 0 3 283.332 -1.684 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cc1cc[nH]n1)C(N)=O ZINC001394733059 888886423 /nfs/dbraw/zinc/88/64/23/888886423.db2.gz GAMCVFAHFJOPAA-SCZZXKLOSA-N 0 3 283.332 -1.765 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001394772686 888898608 /nfs/dbraw/zinc/89/86/08/888898608.db2.gz USHKKHKBERYLKE-WDEREUQCSA-N 0 3 288.344 -1.317 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001394774001 888898710 /nfs/dbraw/zinc/89/87/10/888898710.db2.gz DGGOLDFKWWTYFH-DTWKUNHWSA-N 0 3 276.337 -2.213 20 0 CAADHN CC[C@@H](C(=O)N(C)CCNC(=O)c1nnn(C)n1)N(C)C ZINC001398015835 888985636 /nfs/dbraw/zinc/98/56/36/888985636.db2.gz ZVNXRKIQEZQSCZ-VIFPVBQESA-N 0 3 297.363 -1.262 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001398485827 888992450 /nfs/dbraw/zinc/99/24/50/888992450.db2.gz IKNFBAZAPLTCPL-VGMNWLOBSA-N 0 3 285.348 -1.632 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001398437918 888992476 /nfs/dbraw/zinc/99/24/76/888992476.db2.gz BAZHZRJRXUNPDX-NXEZZACHSA-N 0 3 282.344 -1.375 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)N[C@H]1CCN(CCO)C1 ZINC001398344850 888993492 /nfs/dbraw/zinc/99/34/92/888993492.db2.gz QBXIOVQXNTWKBM-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@@H](C)NCC(N)=O)C1 ZINC001399153130 889031137 /nfs/dbraw/zinc/03/11/37/889031137.db2.gz HRAVJRMUXKKVET-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001399125749 889031393 /nfs/dbraw/zinc/03/13/93/889031393.db2.gz WXPRKANDQUDDPC-ZETCQYMHSA-N 0 3 281.316 -1.433 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)NCC(=O)N(C)C1CC1 ZINC001398872595 889017601 /nfs/dbraw/zinc/01/76/01/889017601.db2.gz ZKVINORGMJVEBQ-VIFPVBQESA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)C[C@H](C)NC(N)=O ZINC001398934438 889023195 /nfs/dbraw/zinc/02/31/95/889023195.db2.gz MKVPBLQRUSADPJ-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@H](CNC(=O)CCNS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001398952581 889024503 /nfs/dbraw/zinc/02/45/03/889024503.db2.gz KIKIYAFTXKRQDM-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001399115215 889031723 /nfs/dbraw/zinc/03/17/23/889031723.db2.gz PDUYPOVBSCVXQW-YUMQZZPRSA-N 0 3 292.361 -2.482 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)NC1CC1 ZINC001399117688 889033500 /nfs/dbraw/zinc/03/35/00/889033500.db2.gz XETRCANVJKCJQH-SCZZXKLOSA-N 0 3 282.344 -1.362 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@H](C)NCC(N)=O)C1 ZINC001399153129 889033581 /nfs/dbraw/zinc/03/35/81/889033581.db2.gz HRAVJRMUXKKVET-VHSXEESVSA-N 0 3 272.349 -1.713 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1CCC(=O)N1 ZINC001399430865 889042157 /nfs/dbraw/zinc/04/21/57/889042157.db2.gz AROINTZTKVCHIO-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CN1CCNC(=O)C1 ZINC001399557409 889046468 /nfs/dbraw/zinc/04/64/68/889046468.db2.gz JEGZUAGJLMDVKY-JTQLQIEISA-N 0 3 272.349 -2.153 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)Cn1ncn(C)c1=O ZINC001399514071 889049157 /nfs/dbraw/zinc/04/91/57/889049157.db2.gz HDPDQBYSNPEYLX-JTQLQIEISA-N 0 3 285.348 -1.335 20 0 CAADHN CCCN(C)CC(=O)N[C@H](C)CNC(=O)CNC(N)=O ZINC001400037454 889087063 /nfs/dbraw/zinc/08/70/63/889087063.db2.gz FJLPCXJYKZTBSA-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN CCCN(C)CC(=O)NC1CN(CC(=O)NC(N)=O)C1 ZINC001400427586 889105542 /nfs/dbraw/zinc/10/55/42/889105542.db2.gz FRXMBODGZWEMAU-UHFFFAOYSA-N 0 3 285.348 -1.677 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001400529164 889111603 /nfs/dbraw/zinc/11/16/03/889111603.db2.gz PIANNKANMUABQF-UWVGGRQHSA-N 0 3 286.332 -2.277 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001400834359 889121497 /nfs/dbraw/zinc/12/14/97/889121497.db2.gz SECJBWHZSNJRSU-HTQZYQBOSA-N 0 3 271.321 -2.020 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NCC(N)=O ZINC001400862178 889123005 /nfs/dbraw/zinc/12/30/05/889123005.db2.gz SEYSJXAWMODRNE-HRDYMLBCSA-N 0 3 286.332 -2.011 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001401081325 889123928 /nfs/dbraw/zinc/12/39/28/889123928.db2.gz JJJQMPOZOHYWMT-SNVBAGLBSA-N 0 3 270.333 -1.469 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001401248131 889131992 /nfs/dbraw/zinc/13/19/92/889131992.db2.gz RELCMJJLQMMJIS-UFBFGSQYSA-N 0 3 270.333 -1.423 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001401264814 889132369 /nfs/dbraw/zinc/13/23/69/889132369.db2.gz YMQXVKWINJOFJT-RKDXNWHRSA-N 0 3 287.364 -1.255 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)CNC(=O)OC ZINC001401486571 889139322 /nfs/dbraw/zinc/13/93/22/889139322.db2.gz HFCYRGVIHRGQBL-MRVPVSSYSA-N 0 3 290.320 -2.455 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1coc(C)n1)C(N)=O ZINC001401488813 889139469 /nfs/dbraw/zinc/13/94/69/889139469.db2.gz JHFDOBULOZRUSM-IUCAKERBSA-N 0 3 284.316 -1.073 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001401492427 889140064 /nfs/dbraw/zinc/14/00/64/889140064.db2.gz IBLDKMFMNPORRN-CBAPKCEASA-N 0 3 283.332 -1.467 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cnns1 ZINC001401495165 889142407 /nfs/dbraw/zinc/14/24/07/889142407.db2.gz VGGMEDFUERQYOY-RQJHMYQMSA-N 0 3 285.329 -1.893 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCn1cccn1)C(N)=O ZINC001401494268 889143848 /nfs/dbraw/zinc/14/38/48/889143848.db2.gz SQDDBCKJDPJGJV-VHSXEESVSA-N 0 3 283.332 -1.786 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1cnn(C)c1)C(N)=O ZINC001401498065 889144035 /nfs/dbraw/zinc/14/40/35/889144035.db2.gz NFMXDSOODZCXOE-SCZZXKLOSA-N 0 3 283.332 -2.097 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001401493525 889144048 /nfs/dbraw/zinc/14/40/48/889144048.db2.gz BRSBUNSYICCDQJ-YUMQZZPRSA-N 0 3 284.320 -2.148 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001401511679 889149570 /nfs/dbraw/zinc/14/95/70/889149570.db2.gz RQNICGKIXNRHTJ-CSMHCCOUSA-N 0 3 279.287 -1.300 20 0 CAADHN CCN1C[C@H](C(=O)NC[C@H](O)CNCC(N)=O)CC1=O ZINC001401536701 889154560 /nfs/dbraw/zinc/15/45/60/889154560.db2.gz HSPZTKDZRNPSKD-RKDXNWHRSA-N 0 3 286.332 -2.593 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001401563891 889157495 /nfs/dbraw/zinc/15/74/95/889157495.db2.gz OZHUVOCEHZOLBB-YUMQZZPRSA-N 0 3 272.305 -2.935 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1(C(F)F)CCC1 ZINC001401563589 889157511 /nfs/dbraw/zinc/15/75/11/889157511.db2.gz IEQRKDVXFKPXLL-ZETCQYMHSA-N 0 3 279.287 -1.026 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001401564461 889157659 /nfs/dbraw/zinc/15/76/59/889157659.db2.gz KMXFHAYXEYVAMZ-JGVFFNPUSA-N 0 3 283.332 -1.474 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001401561396 889158663 /nfs/dbraw/zinc/15/86/63/889158663.db2.gz YMQXALWWZAKDSQ-BREBYQMCSA-N 0 3 285.344 -1.502 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)CS(C)(=O)=O ZINC001401668702 889174388 /nfs/dbraw/zinc/17/43/88/889174388.db2.gz LCAAYDJMPHDSLK-QMMMGPOBSA-N 0 3 291.373 -1.596 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001401682592 889176470 /nfs/dbraw/zinc/17/64/70/889176470.db2.gz VOQQLQGGVBXPPH-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCn1cccc1)C(N)=O ZINC001401574592 889164250 /nfs/dbraw/zinc/16/42/50/889164250.db2.gz LLJIWEOMDRZQRG-GHMZBOCLSA-N 0 3 282.344 -1.181 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)c1nccnc1C(N)=O ZINC001401813712 889187882 /nfs/dbraw/zinc/18/78/82/889187882.db2.gz ZLCZICINODLIKH-QMMMGPOBSA-N 0 3 281.316 -1.382 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@H]1CCN1CC1CC1 ZINC001401895536 889190342 /nfs/dbraw/zinc/19/03/42/889190342.db2.gz CZOJRHQPLNFLME-JTQLQIEISA-N 0 3 290.389 -1.359 20 0 CAADHN C[C@@]1(NC(=O)CN2CCOCC2)CCN(CCO)C1 ZINC001402129419 889208022 /nfs/dbraw/zinc/20/80/22/889208022.db2.gz MHGWRDZRYWIUNL-CYBMUJFWSA-N 0 3 271.361 -1.109 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NC[C@]1(O)CCN(CCO)C1 ZINC001402291799 889217534 /nfs/dbraw/zinc/21/75/34/889217534.db2.gz LZXGYVRCAGYOMG-ZWNOBZJWSA-N 0 3 285.344 -1.800 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cc1ncc[nH]1)C(N)=O ZINC001402465339 889242585 /nfs/dbraw/zinc/24/25/85/889242585.db2.gz CDVSZTWAWPKFPE-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN CO[C@@H](C)CC(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001402557043 889248489 /nfs/dbraw/zinc/24/84/89/889248489.db2.gz RXIRNTSQHWEWTO-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001402396843 889237363 /nfs/dbraw/zinc/23/73/63/889237363.db2.gz GVTWVHZEFWGHDZ-QMMMGPOBSA-N 0 3 285.304 -2.492 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)CCNC(N)=O ZINC001402894522 889272882 /nfs/dbraw/zinc/27/28/82/889272882.db2.gz MIOCFXVVLGPZLK-VIFPVBQESA-N 0 3 285.348 -1.499 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCCn1cncn1 ZINC001403090103 889283647 /nfs/dbraw/zinc/28/36/47/889283647.db2.gz XZKUSCRALWZEDC-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)Cn1cncn1 ZINC001403138782 889284596 /nfs/dbraw/zinc/28/45/96/889284596.db2.gz RBCOOVMCFRSFKI-SNVBAGLBSA-N 0 3 282.348 -1.103 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COCCO1)NCC(=O)N(C)C ZINC001402832210 889260841 /nfs/dbraw/zinc/26/08/41/889260841.db2.gz DGCUQRBMOJRHIK-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N(C)CCO ZINC001403204489 889290450 /nfs/dbraw/zinc/29/04/50/889290450.db2.gz MICGRGSJVZPEDG-VIFPVBQESA-N 0 3 270.333 -1.234 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CN(CCO)CC1(C)C ZINC001403368865 889297745 /nfs/dbraw/zinc/29/77/45/889297745.db2.gz UJOQAFNBNRIWMN-VIFPVBQESA-N 0 3 272.349 -1.266 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001403529841 889307334 /nfs/dbraw/zinc/30/73/34/889307334.db2.gz IFFDNJIHRBIYOB-NEPJUHHUSA-N 0 3 289.376 -1.628 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CCn1cncn1)C(N)=O ZINC001403517119 889309509 /nfs/dbraw/zinc/30/95/09/889309509.db2.gz AKPVXFDNEMMWNY-VHSXEESVSA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001403519731 889309816 /nfs/dbraw/zinc/30/98/16/889309816.db2.gz VVOMBLUWDQSITC-VIFPVBQESA-N 0 3 285.348 -1.773 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001403545002 889310705 /nfs/dbraw/zinc/31/07/05/889310705.db2.gz QVRBSTZZBJURCT-WDEREUQCSA-N 0 3 288.344 -1.005 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001403552369 889313304 /nfs/dbraw/zinc/31/33/04/889313304.db2.gz FUAQYNUJKOIELC-PSASIEDQSA-N 0 3 288.348 -1.365 20 0 CAADHN CN(CCO)CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001403614296 889319065 /nfs/dbraw/zinc/31/90/65/889319065.db2.gz VEIKSRNKVNBVFD-JTQLQIEISA-N 0 3 272.349 -1.183 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)C[C@H]1COC(=O)C1 ZINC001403544976 889314015 /nfs/dbraw/zinc/31/40/15/889314015.db2.gz QVRBSTZZBJURCT-MNOVXSKESA-N 0 3 288.344 -1.005 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H]1CCNC1=O ZINC001403552450 889314429 /nfs/dbraw/zinc/31/44/29/889314429.db2.gz XPPWZAMRFXFNPV-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](CO)N[C@H](C)C(N)=O ZINC001403686591 889349077 /nfs/dbraw/zinc/34/90/77/889349077.db2.gz OULJLNQRYGMUSX-NXEZZACHSA-N 0 3 283.332 -1.868 20 0 CAADHN CC(C)OCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001403831943 889371729 /nfs/dbraw/zinc/37/17/29/889371729.db2.gz NUMNADXFKXLNCO-VHSXEESVSA-N 0 3 275.349 -1.306 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nocc1C ZINC001403866398 889382019 /nfs/dbraw/zinc/38/20/19/889382019.db2.gz DTXGNJZPZPPPPL-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1)C(N)=O ZINC001403885306 889382788 /nfs/dbraw/zinc/38/27/88/889382788.db2.gz XYKUTEYZHPCCIS-WCBMZHEXSA-N 0 3 283.332 -1.765 20 0 CAADHN CC[C@H](NCCN(C)C(=O)C[C@@H]1CCNC1=O)C(N)=O ZINC001404306496 889402891 /nfs/dbraw/zinc/40/28/91/889402891.db2.gz FIIGLSVLTFHZOJ-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)C(N)=O ZINC001404319862 889402946 /nfs/dbraw/zinc/40/29/46/889402946.db2.gz GSGALPXAMHUXCQ-YUMQZZPRSA-N 0 3 292.361 -2.400 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)CCNC(N)=O ZINC001404338587 889403999 /nfs/dbraw/zinc/40/39/99/889403999.db2.gz INPLRVLJRBTFOO-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)C[C@@H]1CCNC1=O)C(N)=O ZINC001404306503 889405631 /nfs/dbraw/zinc/40/56/31/889405631.db2.gz FIIGLSVLTFHZOJ-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001404887326 889422244 /nfs/dbraw/zinc/42/22/44/889422244.db2.gz MHCXTXKBJHHXPW-VIFPVBQESA-N 0 3 283.332 -1.989 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001405147414 889428083 /nfs/dbraw/zinc/42/80/83/889428083.db2.gz YIUFWKQTKQITRL-NXEZZACHSA-N 0 3 293.389 -1.551 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001405205107 889433584 /nfs/dbraw/zinc/43/35/84/889433584.db2.gz KXHFDVVAYOGMJL-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(N)=O)N[C@@H]1CCNC1=O ZINC001405347894 889453112 /nfs/dbraw/zinc/45/31/12/889453112.db2.gz XEZNCSNFWPCWJR-DTWKUNHWSA-N 0 3 285.348 -1.582 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)CCNC(N)=O ZINC001405890385 889471218 /nfs/dbraw/zinc/47/12/18/889471218.db2.gz HYURGGGGLNKYRP-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN COCC(=O)N(C)[C@H](C)CNCC(=O)N1CCOCC1 ZINC001405796883 889471231 /nfs/dbraw/zinc/47/12/31/889471231.db2.gz URIOASJFIGNZTG-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001405824302 889472146 /nfs/dbraw/zinc/47/21/46/889472146.db2.gz GREWLWGQLZTQJU-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)c1cnnn1C ZINC001405812696 889470628 /nfs/dbraw/zinc/47/06/28/889470628.db2.gz OXLHUIATUCQTJK-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cc(C)on1 ZINC001406183716 889477614 /nfs/dbraw/zinc/47/76/14/889477614.db2.gz BZTHWHHCFCIVAR-RKDXNWHRSA-N 0 3 284.316 -1.202 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccncc1 ZINC001406183433 889477631 /nfs/dbraw/zinc/47/76/31/889477631.db2.gz DHEWRJQBXZYOCZ-LLVKDONJSA-N 0 3 280.328 -1.150 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cccn1C ZINC001406192803 889482306 /nfs/dbraw/zinc/48/23/06/889482306.db2.gz RFUPUIYSDNWGAI-SNVBAGLBSA-N 0 3 282.344 -1.206 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccncc1F)C(N)=O ZINC001406219780 889488429 /nfs/dbraw/zinc/48/84/29/889488429.db2.gz UKONXVGROHSHGU-SFYZADRCSA-N 0 3 284.291 -1.225 20 0 CAADHN CCc1nnsc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001406249750 889498026 /nfs/dbraw/zinc/49/80/26/889498026.db2.gz YBGQAXZZDCFCMS-LURJTMIESA-N 0 3 287.345 -1.734 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CCS(C)(=O)=O)C(N)=O ZINC001406378937 889517806 /nfs/dbraw/zinc/51/78/06/889517806.db2.gz JBLJLTRQUQZXOD-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001406332887 889510791 /nfs/dbraw/zinc/51/07/91/889510791.db2.gz RNOLDDXKUYJQST-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC ZINC001406340814 889513060 /nfs/dbraw/zinc/51/30/60/889513060.db2.gz WOVZEZBSJRXDLO-BDAKNGLRSA-N 0 3 272.349 -1.259 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001406363386 889513084 /nfs/dbraw/zinc/51/30/84/889513084.db2.gz QVPOKSIMYKDFHO-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)C1CS(=O)(=O)C1 ZINC001406365509 889513120 /nfs/dbraw/zinc/51/31/20/889513120.db2.gz IWWPPCWYDWHDGD-MRVPVSSYSA-N 0 3 291.373 -1.787 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cccn(C)c1=O ZINC001406419061 889522197 /nfs/dbraw/zinc/52/21/97/889522197.db2.gz OKVVMYMYIMQPEA-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1ccncn1 ZINC001406539088 889531293 /nfs/dbraw/zinc/53/12/93/889531293.db2.gz XNBSJAKXZAKAKJ-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001406556778 889528993 /nfs/dbraw/zinc/52/89/93/889528993.db2.gz IPKQQFICQFHIHL-YUMQZZPRSA-N 0 3 279.362 -1.611 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@@H]2COC(=O)N2)CC1)C(N)=O ZINC001406924432 889544803 /nfs/dbraw/zinc/54/48/03/889544803.db2.gz TYCSCKRFTAZMQC-YUMQZZPRSA-N 0 3 284.316 -1.403 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CC1)C(N)=O ZINC001406967391 889548482 /nfs/dbraw/zinc/54/84/82/889548482.db2.gz UTRZDGBWHJJSSZ-VGMNWLOBSA-N 0 3 282.344 -1.390 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001407099565 889551575 /nfs/dbraw/zinc/55/15/75/889551575.db2.gz ZRYZBQMVCBDCOY-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)c1cn(C)nn1)C1CC1)C(N)=O ZINC001406748719 889536506 /nfs/dbraw/zinc/53/65/06/889536506.db2.gz HUBWMHOEDBBOQG-APPZFPTMSA-N 0 3 280.332 -1.213 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001406785930 889537775 /nfs/dbraw/zinc/53/77/75/889537775.db2.gz USYLFMMIDBSQHE-POYBYMJQSA-N 0 3 271.321 -1.987 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407368047 889565894 /nfs/dbraw/zinc/56/58/94/889565894.db2.gz QVZMIBQYOHLERZ-SKDRFNHKSA-N 0 3 286.332 -2.133 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001407841371 889590570 /nfs/dbraw/zinc/59/05/70/889590570.db2.gz PLPDYEVCJVBNQK-GXSJLCMTSA-N 0 3 273.333 -1.694 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H](C)CC(N)=O)CCC1 ZINC001407793827 889591078 /nfs/dbraw/zinc/59/10/78/889591078.db2.gz UWONFMMYLABUHC-SECBINFHSA-N 0 3 284.360 -1.128 20 0 CAADHN Cc1conc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001407864989 889594136 /nfs/dbraw/zinc/59/41/36/889594136.db2.gz KEFZAIPCTGCKKV-VIFPVBQESA-N 0 3 282.300 -1.101 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cocn1)C(N)=O ZINC001407699920 889588686 /nfs/dbraw/zinc/58/86/86/889588686.db2.gz UPXWAEZLPADEPH-SECBINFHSA-N 0 3 284.316 -1.037 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001409353887 889632227 /nfs/dbraw/zinc/63/22/27/889632227.db2.gz ICHXMHJVILKMTG-RKDXNWHRSA-N 0 3 286.332 -2.187 20 0 CAADHN CC(=O)NCC(=O)NC1CN(C(=O)CN(C)C(C)C)C1 ZINC001409024953 889623858 /nfs/dbraw/zinc/62/38/58/889623858.db2.gz SKVUBYZYAFTZCZ-UHFFFAOYSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CNC(=O)NC ZINC001409340988 889633479 /nfs/dbraw/zinc/63/34/79/889633479.db2.gz BXSPTUWCFPOLQT-JGVFFNPUSA-N 0 3 273.337 -1.856 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CNC(=O)NC ZINC001409340979 889633688 /nfs/dbraw/zinc/63/36/88/889633688.db2.gz BXSPTUWCFPOLQT-HTQZYQBOSA-N 0 3 273.337 -1.856 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001409383009 889633711 /nfs/dbraw/zinc/63/37/11/889633711.db2.gz OEDNFDYMDBTPDU-HTQZYQBOSA-N 0 3 283.332 -1.032 20 0 CAADHN C[C@@H](CNC(=O)COCc1nncn1C)N(C)CCO ZINC001409657216 889642939 /nfs/dbraw/zinc/64/29/39/889642939.db2.gz OVDBMDHGXKZDSQ-JTQLQIEISA-N 0 3 285.348 -1.240 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001410426538 889677123 /nfs/dbraw/zinc/67/71/23/889677123.db2.gz ATRLGKMIQZHIAH-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](CO)NCCn1cncn1 ZINC001410577142 889683672 /nfs/dbraw/zinc/68/36/72/889683672.db2.gz ZBUXLDKZFKEPBP-SNVBAGLBSA-N 0 3 284.320 -2.519 20 0 CAADHN O=C(NC[C@@H](CO)NCCO)[C@H]1CCCCS1(=O)=O ZINC001410647713 889696370 /nfs/dbraw/zinc/69/63/70/889696370.db2.gz FDGPRWZKQUDOND-VHSXEESVSA-N 0 3 294.373 -1.987 20 0 CAADHN CC[C@@H](OC)C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001410972086 889726614 /nfs/dbraw/zinc/72/66/14/889726614.db2.gz FVCIHPVLVVARHG-WDEREUQCSA-N 0 3 289.376 -1.092 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1n[nH]cc1C ZINC001411066679 889728791 /nfs/dbraw/zinc/72/87/91/889728791.db2.gz NODBYPBYAGUQDR-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@@H]1CCCOC1 ZINC001411132311 889732624 /nfs/dbraw/zinc/73/26/24/889732624.db2.gz YUCYGLZSTCBXTR-WDEREUQCSA-N 0 3 287.360 -1.303 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001411173307 889737998 /nfs/dbraw/zinc/73/79/98/889737998.db2.gz WBNILZFMGZTGSH-LOWVWBTDSA-N 0 3 272.345 -1.234 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001411165229 889739584 /nfs/dbraw/zinc/73/95/84/889739584.db2.gz UFWPDUCFILSFAO-VIFPVBQESA-N 0 3 285.348 -1.641 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC001411753752 889761039 /nfs/dbraw/zinc/76/10/39/889761039.db2.gz OCDZHQULFWNBIZ-SNVBAGLBSA-N 0 3 290.389 -1.407 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CC[C@H](CS(N)(=O)=O)C1 ZINC001413066648 889935421 /nfs/dbraw/zinc/93/54/21/889935421.db2.gz MSQORFALDNNLGN-WPRPVWTQSA-N 0 3 280.346 -1.479 20 0 CAADHN C[C@@H]1[C@H](C(=O)NC[C@H](O)CS(C)(=O)=O)CCN1C ZINC001413742399 890011513 /nfs/dbraw/zinc/01/15/13/890011513.db2.gz ZSYTXHWESLSOKR-KXUCPTDWSA-N 0 3 278.374 -1.152 20 0 CAADHN OC[C@@H]1CN(C[C@H](O)CC2(O)CCOCC2)CC[C@@H]1O ZINC001413999237 890039763 /nfs/dbraw/zinc/03/97/63/890039763.db2.gz KTIALVFSMQOPEV-XQQFMLRXSA-N 0 3 289.372 -1.046 20 0 CAADHN CC(C)(CNC[C@]1(O)CCS(=O)(=O)C1)S(C)(=O)=O ZINC001414089119 890046343 /nfs/dbraw/zinc/04/63/43/890046343.db2.gz XATVMYJAXXHIFY-SNVBAGLBSA-N 0 3 299.414 -1.051 20 0 CAADHN CC(C)(CNC[C@@]1(O)CCS(=O)(=O)C1)S(C)(=O)=O ZINC001414089105 890046364 /nfs/dbraw/zinc/04/63/64/890046364.db2.gz XATVMYJAXXHIFY-JTQLQIEISA-N 0 3 299.414 -1.051 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](C)NC(=O)CNC(N)=O)N(C)C ZINC001415219096 890086763 /nfs/dbraw/zinc/08/67/63/890086763.db2.gz JKPRLFNQBDDOPW-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001415988259 890108903 /nfs/dbraw/zinc/10/89/03/890108903.db2.gz GJKNVXYAUSVIQV-VIFPVBQESA-N 0 3 299.375 -1.290 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001417868331 890173517 /nfs/dbraw/zinc/17/35/17/890173517.db2.gz FQCWKZHNULRTLN-LLVKDONJSA-N 0 3 287.341 -1.074 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)CNC(=O)OC)C1)C(N)=O ZINC001418036630 890185329 /nfs/dbraw/zinc/18/53/29/890185329.db2.gz FLCDZMNJBYADJX-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1cnnn1C)C1CC1 ZINC001417982405 890185618 /nfs/dbraw/zinc/18/56/18/890185618.db2.gz YDMWFZYWFYDXGY-VIFPVBQESA-N 0 3 280.332 -1.341 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001418044157 890186330 /nfs/dbraw/zinc/18/63/30/890186330.db2.gz MTMGZSNHPUFNNB-ZANVPECISA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H](CNC(=O)CCS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001418241148 890198751 /nfs/dbraw/zinc/19/87/51/890198751.db2.gz YBIDZMUYOQCXTN-SFYZADRCSA-N 0 3 279.362 -1.611 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001418330193 890214276 /nfs/dbraw/zinc/21/42/76/890214276.db2.gz RNISLIYIXLVDAB-ZETCQYMHSA-N 0 3 293.349 -3.284 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1cnn(C)n1 ZINC001418501182 890234205 /nfs/dbraw/zinc/23/42/05/890234205.db2.gz HWRBJFMJNYACJG-SECBINFHSA-N 0 3 271.321 -1.516 20 0 CAADHN CN(CC(=O)N1CCN(C)C[C@@H]1CO)[C@@H]1CCC[C@H]1O ZINC001418637942 890249290 /nfs/dbraw/zinc/24/92/90/890249290.db2.gz ISIUXKZYMYHYNG-JHJVBQTASA-N 0 3 285.388 -1.034 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1COCCO1 ZINC001418805594 890261914 /nfs/dbraw/zinc/26/19/14/890261914.db2.gz FBNLIWQTBKWNFG-VHSXEESVSA-N 0 3 271.317 -1.662 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@H]1CCC(=O)N1)C(N)=O ZINC001418832451 890266781 /nfs/dbraw/zinc/26/67/81/890266781.db2.gz OELBSPYCFCLXLS-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN COC[C@@H](C)C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001418819810 890267808 /nfs/dbraw/zinc/26/78/08/890267808.db2.gz ZWJYHMXDWYTMEA-BDAKNGLRSA-N 0 3 288.348 -1.100 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001419062105 890295036 /nfs/dbraw/zinc/29/50/36/890295036.db2.gz IHYMWGWNNQJGDP-GUBZILKMSA-N 0 3 286.332 -2.134 20 0 CAADHN CC[C@H](CNC(=O)CNC(C)=O)NCC(=O)NC1CC1 ZINC001419149576 890306195 /nfs/dbraw/zinc/30/61/95/890306195.db2.gz CGLIGVFYTLPATN-SNVBAGLBSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)N[C@@H](C)C(=O)NC ZINC001419198995 890309434 /nfs/dbraw/zinc/30/94/34/890309434.db2.gz MHJRFRWMDVYBCY-IUCAKERBSA-N 0 3 287.364 -1.466 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CNC(C)=O)C1CC1 ZINC001419204726 890312572 /nfs/dbraw/zinc/31/25/72/890312572.db2.gz AMLXSRAWOSRIDR-JTQLQIEISA-N 0 3 270.333 -1.647 20 0 CAADHN CC[C@H](CNC(=O)C1CN(C(C)=O)C1)N[C@H](C)C(N)=O ZINC001419185509 890312946 /nfs/dbraw/zinc/31/29/46/890312946.db2.gz QJFVGVFMOFHSMR-LDYMZIIASA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1COCCO1)C1CC1 ZINC001419232026 890315231 /nfs/dbraw/zinc/31/52/31/890315231.db2.gz FMHNGNQASSVTMR-GHMZBOCLSA-N 0 3 285.344 -1.368 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CN(CC)CCO1)NCC(N)=O ZINC001419267746 890316216 /nfs/dbraw/zinc/31/62/16/890316216.db2.gz HVXATAUMNYJCQO-MNOVXSKESA-N 0 3 286.376 -1.323 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CN(CC)CCO1)NCC(N)=O ZINC001419267750 890317044 /nfs/dbraw/zinc/31/70/44/890317044.db2.gz HVXATAUMNYJCQO-QWRGUYRKSA-N 0 3 286.376 -1.323 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1cnn(C)c1N ZINC001419656121 890338877 /nfs/dbraw/zinc/33/88/77/890338877.db2.gz GMOUBQVIIYIHLC-QMMMGPOBSA-N 0 3 282.348 -1.202 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CS(C)(=O)=O ZINC001419648230 890338913 /nfs/dbraw/zinc/33/89/13/890338913.db2.gz XXTFTZQQDKKNJZ-YUMQZZPRSA-N 0 3 279.362 -1.659 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CN1CCOCC1 ZINC001419724276 890348596 /nfs/dbraw/zinc/34/85/96/890348596.db2.gz DCTCCVYJCLIDMM-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001419714415 890351513 /nfs/dbraw/zinc/35/15/13/890351513.db2.gz GAWSIHGNECBAIS-YIZRAAEISA-N 0 3 270.333 -1.710 20 0 CAADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N[C@H](C)C(N)=O ZINC001419792033 890352054 /nfs/dbraw/zinc/35/20/54/890352054.db2.gz KZLHWIMYOVYYDR-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCOCC1 ZINC001420110107 890387162 /nfs/dbraw/zinc/38/71/62/890387162.db2.gz LYAWLWHFKHSQNU-QWRGUYRKSA-N 0 3 287.360 -1.384 20 0 CAADHN CC(C)OCC(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC001420111500 890388919 /nfs/dbraw/zinc/38/89/19/890388919.db2.gz OIPHPDPSVGOPHK-MNOVXSKESA-N 0 3 289.376 -1.045 20 0 CAADHN CC(C)(O)CC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420109981 890390968 /nfs/dbraw/zinc/39/09/68/890390968.db2.gz LVVWHJBUJQXIMQ-BDAKNGLRSA-N 0 3 273.333 -1.897 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001420129337 890396722 /nfs/dbraw/zinc/39/67/22/890396722.db2.gz SYSGTJBDVCTVNU-AUTRQRHGSA-N 0 3 271.317 -2.164 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)CC1=O ZINC001420145400 890400955 /nfs/dbraw/zinc/40/09/55/890400955.db2.gz MLAKUQGRTPXLRM-RKDXNWHRSA-N 0 3 286.332 -2.593 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001420152520 890402780 /nfs/dbraw/zinc/40/27/80/890402780.db2.gz CKKAKMGZQQNUIA-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN CCn1ccc(C(=O)NC[C@H](O)CNCC(=O)NC)n1 ZINC001420183959 890409849 /nfs/dbraw/zinc/40/98/49/890409849.db2.gz QZXQEIISVVFFGK-SECBINFHSA-N 0 3 283.332 -1.671 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420242585 890421130 /nfs/dbraw/zinc/42/11/30/890421130.db2.gz QURZYYJOENRGLM-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)Cn1ncnn1 ZINC001420240302 890421514 /nfs/dbraw/zinc/42/15/14/890421514.db2.gz FNIJPQBDBAMHLU-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001420268724 890422035 /nfs/dbraw/zinc/42/20/35/890422035.db2.gz HJJFUFFHTCVDJL-RKDXNWHRSA-N 0 3 284.360 -1.259 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001420253985 890422813 /nfs/dbraw/zinc/42/28/13/890422813.db2.gz PTYMHPXHLQMGKF-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN CCOC(=O)[C@H](C)CNS(=O)(=O)N1CCNCC1 ZINC000923629373 883996445 /nfs/dbraw/zinc/99/64/45/883996445.db2.gz UOYZASNQYUDIHN-SECBINFHSA-N 0 3 279.362 -1.075 20 0 CAADHN CCC(=O)N1CC[C@@H](NS(=O)(=O)C2CNC2)C1 ZINC000923628600 883996602 /nfs/dbraw/zinc/99/66/02/883996602.db2.gz MLCQZKSSVRCBTL-MRVPVSSYSA-N 0 3 261.347 -1.112 20 0 CAADHN COCCN1CCN(S(=O)(=O)C2CNC2)C[C@H]1C ZINC000923613321 883996756 /nfs/dbraw/zinc/99/67/56/883996756.db2.gz XEAYQDKNDKKHKP-SNVBAGLBSA-N 0 3 277.390 -1.060 20 0 CAADHN C[C@@H](NS(=O)(=O)C1CNC1)[C@@H](C)N1CCOCC1 ZINC000923606521 883996797 /nfs/dbraw/zinc/99/67/97/883996797.db2.gz PDZNXAYNZAOSOC-NXEZZACHSA-N 0 3 277.390 -1.013 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923627984 883996996 /nfs/dbraw/zinc/99/69/96/883996996.db2.gz YSEJARDDRPTPHB-QMMMGPOBSA-N 0 3 297.402 -1.698 20 0 CAADHN C[C@H](CCS(C)(=O)=O)NS(=O)(=O)N1CCNCC1 ZINC000923629290 883997729 /nfs/dbraw/zinc/99/77/29/883997729.db2.gz SJTBRNCIXCUURX-SECBINFHSA-N 0 3 299.418 -1.451 20 0 CAADHN CCC(=O)N1CC[C@H](NS(=O)(=O)C2CNC2)C1 ZINC000923628601 883997746 /nfs/dbraw/zinc/99/77/46/883997746.db2.gz MLCQZKSSVRCBTL-QMMMGPOBSA-N 0 3 261.347 -1.112 20 0 CAADHN CNC(=O)CCCN(C)S(=O)(=O)N1CCNCC1 ZINC000923630097 883996238 /nfs/dbraw/zinc/99/62/38/883996238.db2.gz RFYCSEWVRKCVFI-UHFFFAOYSA-N 0 3 278.378 -1.406 20 0 CAADHN C[C@@H](CNS(=O)(=O)C1CNC1)CN1CCOCC1 ZINC000923614523 883996288 /nfs/dbraw/zinc/99/62/88/883996288.db2.gz ARHXHVFFGYYEQL-JTQLQIEISA-N 0 3 277.390 -1.154 20 0 CAADHN Cn1ccnc1CN1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923606258 883997181 /nfs/dbraw/zinc/99/71/81/883997181.db2.gz JOCBNTZLXSFFTD-UHFFFAOYSA-N 0 3 299.400 -1.161 20 0 CAADHN CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)C1CNC1 ZINC000923605160 883997647 /nfs/dbraw/zinc/99/76/47/883997647.db2.gz NBQQPVAHFLPIGJ-VIFPVBQESA-N 0 3 261.347 -1.256 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000938824848 883998565 /nfs/dbraw/zinc/99/85/65/883998565.db2.gz LAMKOLNQZLWUKJ-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000938827479 883998927 /nfs/dbraw/zinc/99/89/27/883998927.db2.gz VBLYHQOWDGIRJL-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000938824849 883999227 /nfs/dbraw/zinc/99/92/27/883999227.db2.gz LAMKOLNQZLWUKJ-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000974391836 884004439 /nfs/dbraw/zinc/00/44/39/884004439.db2.gz JXVUZEQMDCVASH-LPEHRKFASA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986752055 884005452 /nfs/dbraw/zinc/00/54/52/884005452.db2.gz XKXONXASYGOVIF-YUMQZZPRSA-N 0 3 279.300 -1.552 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cnon1 ZINC000987205018 884006302 /nfs/dbraw/zinc/00/63/02/884006302.db2.gz HZHQBSHNXGKUNR-RNFRBKRXSA-N 0 3 253.262 -1.253 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cnon1 ZINC000987205020 884007109 /nfs/dbraw/zinc/00/71/09/884007109.db2.gz HZHQBSHNXGKUNR-RQJHMYQMSA-N 0 3 253.262 -1.253 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC000987181437 884008046 /nfs/dbraw/zinc/00/80/46/884008046.db2.gz VNUMKTNYXFSAEV-IONNQARKSA-N 0 3 296.327 -1.897 20 0 CAADHN Cc1nnc(CN[C@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)[nH]1 ZINC001047949010 884019421 /nfs/dbraw/zinc/01/94/21/884019421.db2.gz APFRXHCCJMTINR-APPZFPTMSA-N 0 3 280.332 -1.075 20 0 CAADHN Cc1nnc(CN[C@@H](C)[C@H]2CCN(C(=O)C(N)=O)C2)[nH]1 ZINC001047949012 884019697 /nfs/dbraw/zinc/01/96/97/884019697.db2.gz APFRXHCCJMTINR-CBAPKCEASA-N 0 3 280.332 -1.075 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNCc1cn(C)nn1 ZINC001048185504 884021003 /nfs/dbraw/zinc/02/10/03/884021003.db2.gz UGJOSXRIGLYDRQ-UWVGGRQHSA-N 0 3 294.359 -1.125 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001083699025 884031065 /nfs/dbraw/zinc/03/10/65/884031065.db2.gz IAOOIZLYCDIYHZ-AXFHLTTASA-N 0 3 269.345 -1.060 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001083699198 884031402 /nfs/dbraw/zinc/03/14/02/884031402.db2.gz OFJMRWDGBRJWLG-AEJSXWLSSA-N 0 3 255.318 -1.306 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001083653874 884032217 /nfs/dbraw/zinc/03/22/17/884032217.db2.gz IWNWLGPNYLMTHE-KOLCDFICSA-N 0 3 280.328 -1.036 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@@H]1CCNC1=O ZINC001083698525 884033260 /nfs/dbraw/zinc/03/32/60/884033260.db2.gz LZCMJPLWJPNKPN-MXWKQRLJSA-N 0 3 267.329 -1.306 20 0 CAADHN CCOCCOCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001152501206 884064078 /nfs/dbraw/zinc/06/40/78/884064078.db2.gz HSYDHNKSRTZLMG-JTQLQIEISA-N 0 3 275.349 -1.120 20 0 CAADHN CCS(=O)(=O)CC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001152377768 884064767 /nfs/dbraw/zinc/06/47/67/884064767.db2.gz YDJQROSHYFCYLB-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN CS(=O)(=O)NCCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114360508 884042841 /nfs/dbraw/zinc/04/28/41/884042841.db2.gz CAGFXILLBIGTHA-JZYVYDRUSA-N 0 3 291.373 -2.036 20 0 CAADHN Cn1nccc1COCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114452164 884043530 /nfs/dbraw/zinc/04/35/30/884043530.db2.gz BZACDSVBIJXJLI-IMRBUKKESA-N 0 3 294.355 -1.025 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114437229 884043834 /nfs/dbraw/zinc/04/38/34/884043834.db2.gz WZBLHCSVKBNBLJ-URLYPYJESA-N 0 3 299.371 -1.447 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001114433171 884044274 /nfs/dbraw/zinc/04/42/74/884044274.db2.gz HPCDRTFJFFHIHR-RGOKHQFPSA-N 0 3 294.355 -1.567 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)[C@H]1[C@@H]2COC[C@@H]21 ZINC001114712117 884045931 /nfs/dbraw/zinc/04/59/31/884045931.db2.gz FUSJCPGZDXXUPX-ARDSDWSFSA-N 0 3 296.367 -1.066 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN(C[C@H](O)CC(F)(F)F)C[C@H]21 ZINC001114752609 884046872 /nfs/dbraw/zinc/04/68/72/884046872.db2.gz HZDCYALRJSQCSF-NGJRWZKOSA-N 0 3 295.261 -1.169 20 0 CAADHN CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114988257 884047512 /nfs/dbraw/zinc/04/75/12/884047512.db2.gz BHRQQVZRBIVOKO-MBTKJCJQSA-N 0 3 278.316 -1.399 20 0 CAADHN CCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC001114988257 884047528 /nfs/dbraw/zinc/04/75/28/884047528.db2.gz BHRQQVZRBIVOKO-MBTKJCJQSA-N 0 3 278.316 -1.399 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)n1cncn1 ZINC001125917485 884053504 /nfs/dbraw/zinc/05/35/04/884053504.db2.gz DAJCXYHASMQHKR-QMMMGPOBSA-N 0 3 254.294 -1.709 20 0 CAADHN CC[C@@H](NCCNC(=O)CNC(=O)OC)C(N)=O ZINC001124176423 884053684 /nfs/dbraw/zinc/05/36/84/884053684.db2.gz HDAHAPHMFNHUSO-SSDOTTSWSA-N 0 3 260.294 -1.688 20 0 CAADHN CC1CC(C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001125509506 884054005 /nfs/dbraw/zinc/05/40/05/884054005.db2.gz XKEANOKDWUEMSV-UHFFFAOYSA-N 0 3 256.306 -1.067 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCOCC1 ZINC001126432655 884054758 /nfs/dbraw/zinc/05/47/58/884054758.db2.gz SRCDSHYKRRDESS-SECBINFHSA-N 0 3 286.332 -1.296 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)n1cncn1 ZINC001125919141 884054796 /nfs/dbraw/zinc/05/47/96/884054796.db2.gz SRLOWRZUQQVLHE-DTWKUNHWSA-N 0 3 268.321 -1.321 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)c1cn(C)nn1 ZINC001126655031 884054859 /nfs/dbraw/zinc/05/48/59/884054859.db2.gz WXVIMAGEFZWEJE-UHFFFAOYSA-N 0 3 282.348 -1.093 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H](C)n1cncn1)C(N)=O ZINC001125919222 884055534 /nfs/dbraw/zinc/05/55/34/884055534.db2.gz VBZOODXWQJWXCS-IUCAKERBSA-N 0 3 268.321 -1.191 20 0 CAADHN Cc1nnc(CC(=O)NCCN[C@H](C)C(N)=O)o1 ZINC001126668069 884056010 /nfs/dbraw/zinc/05/60/10/884056010.db2.gz VIEUNDFWXPLBPQ-ZCFIWIBFSA-N 0 3 255.278 -1.500 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1ncc[nH]1 ZINC001126432426 884056106 /nfs/dbraw/zinc/05/61/06/884056106.db2.gz RZPUQKHSRGCDBO-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)n1cncn1 ZINC001125917915 884056142 /nfs/dbraw/zinc/05/61/42/884056142.db2.gz IVVPWXWJDWHRFN-ZETCQYMHSA-N 0 3 283.292 -2.260 20 0 CAADHN C[C@H](C(=O)NCCN[C@H]1CCN(C)C1=O)n1cncn1 ZINC001125919229 884056493 /nfs/dbraw/zinc/05/64/93/884056493.db2.gz VDTNNFHZDPJMMY-ZJUUUORDSA-N 0 3 280.332 -1.224 20 0 CAADHN Cn1cc(C(=O)NCCNCCNS(C)(=O)=O)nn1 ZINC001126659076 884056731 /nfs/dbraw/zinc/05/67/31/884056731.db2.gz ZSFYTOPXPFIIPW-UHFFFAOYSA-N 0 3 290.349 -2.316 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn2c(n1)CCC2 ZINC001127633245 884058680 /nfs/dbraw/zinc/05/86/80/884058680.db2.gz OLKROFSKZBOMES-UHFFFAOYSA-N 0 3 265.317 -1.105 20 0 CAADHN NC(=O)c1ncn(CC(=O)NCCNCCF)n1 ZINC001127652975 884059522 /nfs/dbraw/zinc/05/95/22/884059522.db2.gz IKPPUSUXNTVVJC-UHFFFAOYSA-N 0 3 258.257 -1.948 20 0 CAADHN CCS(=O)(=O)CC(=O)NCCN[C@H](C)C(=O)NC ZINC001152376953 884064046 /nfs/dbraw/zinc/06/40/46/884064046.db2.gz OTIHPCSRSYHSCN-MRVPVSSYSA-N 0 3 279.362 -1.739 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN[C@H]2CCN(C)C2=O)C1 ZINC001151739356 884063917 /nfs/dbraw/zinc/06/39/17/884063917.db2.gz LFHOVCORXVWOMZ-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN[C@H]2CCN(C)C2=O)C1 ZINC001151739355 884063981 /nfs/dbraw/zinc/06/39/81/884063981.db2.gz LFHOVCORXVWOMZ-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)C1 ZINC001151739354 884064176 /nfs/dbraw/zinc/06/41/76/884064176.db2.gz LFHOVCORXVWOMZ-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCC(O)CC1 ZINC001161178758 884066492 /nfs/dbraw/zinc/06/64/92/884066492.db2.gz WARTVNBYZQLCKB-SNVBAGLBSA-N 0 3 255.318 -1.700 20 0 CAADHN NC(=O)c1[nH]ncc1NC[C@H](O)CN1CCOCC1 ZINC001251008118 884081542 /nfs/dbraw/zinc/08/15/42/884081542.db2.gz YFCISMOYJVYEBO-QMMMGPOBSA-N 0 3 269.305 -1.386 20 0 CAADHN CC(C)(O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001252371498 884082452 /nfs/dbraw/zinc/08/24/52/884082452.db2.gz SHVCCDRJOPDQKV-UHFFFAOYSA-N 0 3 260.294 -2.935 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cnc2nccn2c1 ZINC001266774571 884088097 /nfs/dbraw/zinc/08/80/97/884088097.db2.gz FQSKSAYKSPLIKL-UHFFFAOYSA-N 0 3 276.300 -1.124 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H](C)CC(N)=O)C(N)=O ZINC001266800108 884088587 /nfs/dbraw/zinc/08/85/87/884088587.db2.gz MVWFHVZTLXSDAZ-JGVFFNPUSA-N 0 3 258.322 -1.580 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001266800107 884089044 /nfs/dbraw/zinc/08/90/44/884089044.db2.gz MVWFHVZTLXSDAZ-HTQZYQBOSA-N 0 3 258.322 -1.580 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H](OC)c1cnn(C)c1 ZINC001266789135 884089185 /nfs/dbraw/zinc/08/91/85/884089185.db2.gz OURCTQZWMVZXPN-GFCCVEGCSA-N 0 3 297.359 -1.098 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266800343 884089597 /nfs/dbraw/zinc/08/95/97/884089597.db2.gz UADRJYJHKQHEPP-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001266800344 884089336 /nfs/dbraw/zinc/08/93/36/884089336.db2.gz UADRJYJHKQHEPP-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001268323908 884090029 /nfs/dbraw/zinc/09/00/29/884090029.db2.gz QXSPLQHUYAUQMI-SSDOTTSWSA-N 0 3 272.305 -2.935 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)CC(N)=O ZINC001268302040 884090233 /nfs/dbraw/zinc/09/02/33/884090233.db2.gz ZSFUBGBBQRRANP-VIFPVBQESA-N 0 3 288.348 -2.205 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC12CCC2 ZINC001268323376 884090303 /nfs/dbraw/zinc/09/03/03/884090303.db2.gz IGCQSOQAUGXACH-BDAKNGLRSA-N 0 3 255.318 -1.271 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C(N)=O)C(=O)NC1CC1 ZINC001268323917 884092712 /nfs/dbraw/zinc/09/27/12/884092712.db2.gz RESOXRFPXKGWRM-XPUUQOCRSA-N 0 3 272.305 -2.795 20 0 CAADHN CN(C)CCN1C(=O)COCC12CN(C(=O)C1COC1)C2 ZINC001269921165 884097529 /nfs/dbraw/zinc/09/75/29/884097529.db2.gz UHZYJFYGZMTQGH-UHFFFAOYSA-N 0 3 297.355 -1.366 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1COC(=O)N1 ZINC001273989972 884099836 /nfs/dbraw/zinc/09/98/36/884099836.db2.gz BATCTMRRLWYJDJ-HNRDENNGSA-N 0 3 284.316 -1.509 20 0 CAADHN CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)C(N)=O ZINC001273554150 884099985 /nfs/dbraw/zinc/09/99/85/884099985.db2.gz PJDIGNRYUKYPMT-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CCOCC(=O)NC/C=C/CN[C@@H](C)C(=O)NC(N)=O ZINC001273822626 884100143 /nfs/dbraw/zinc/10/01/43/884100143.db2.gz KONZAGKPIWHWQR-MOVJSRMASA-N 0 3 286.332 -1.132 20 0 CAADHN CCNC(=O)CN1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001273699527 884100743 /nfs/dbraw/zinc/10/07/43/884100743.db2.gz NDYYJWKFEDJANB-UHFFFAOYSA-N 0 3 298.387 -1.403 20 0 CAADHN C[C@H](NCC1(NC(=O)C(N)=O)CCOCC1)C(N)=O ZINC001273994916 884100940 /nfs/dbraw/zinc/10/09/40/884100940.db2.gz IQRYQSOPMBBQSD-ZETCQYMHSA-N 0 3 272.305 -2.400 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1COC(=O)N1 ZINC001273989968 884101286 /nfs/dbraw/zinc/10/12/86/884101286.db2.gz BATCTMRRLWYJDJ-FBFNWGNUSA-N 0 3 284.316 -1.509 20 0 CAADHN CCN1C[C@H](C(=O)NC/C=C\CN[C@H](C)C(N)=O)CC1=O ZINC001274076763 884101320 /nfs/dbraw/zinc/10/13/20/884101320.db2.gz UKLPSRKJEBPPPU-WQMVXFAESA-N 0 3 296.371 -1.009 20 0 CAADHN CCN1C[C@H](C(=O)NC/C=C/CN[C@H](C)C(N)=O)CC1=O ZINC001274076764 884101439 /nfs/dbraw/zinc/10/14/39/884101439.db2.gz UKLPSRKJEBPPPU-XKFHPXPTSA-N 0 3 296.371 -1.009 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C\CNC(=O)C(C)(C)C(N)=O ZINC001274105795 884102772 /nfs/dbraw/zinc/10/27/72/884102772.db2.gz OQYZITJGGGFTIQ-SSJHQANKSA-N 0 3 284.360 -1.106 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001278092798 884104497 /nfs/dbraw/zinc/10/44/97/884104497.db2.gz CIFYRDYUUHIXHG-SNVBAGLBSA-N 0 3 298.343 -1.008 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C1CC1 ZINC001278721334 884108086 /nfs/dbraw/zinc/10/80/86/884108086.db2.gz OEHQVJOMOPESOL-SCZZXKLOSA-N 0 3 257.334 -1.060 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@H](O)[C@@H](CO)C1 ZINC001306854637 884120623 /nfs/dbraw/zinc/12/06/23/884120623.db2.gz MEGUYJCVVJJOID-WOPDTQHZSA-N 0 3 269.345 -1.812 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@H](CO)[C@H](O)C1 ZINC001306854625 884121331 /nfs/dbraw/zinc/12/13/31/884121331.db2.gz MEGUYJCVVJJOID-GRYCIOLGSA-N 0 3 269.345 -1.812 20 0 CAADHN O=C1CNC(=O)N1CCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001307731369 884123710 /nfs/dbraw/zinc/12/37/10/884123710.db2.gz GMNRWWRAOBYEFR-GFCCVEGCSA-N 0 3 295.299 -1.788 20 0 CAADHN O=C1CNC(=O)N1CCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001307731370 884124080 /nfs/dbraw/zinc/12/40/80/884124080.db2.gz GMNRWWRAOBYEFR-LBPRGKRZSA-N 0 3 295.299 -1.788 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001307731159 884125261 /nfs/dbraw/zinc/12/52/61/884125261.db2.gz BRVRXRKIUSJKMD-RNSXUZJQSA-N 0 3 257.290 -1.598 20 0 CAADHN NC(=O)[C@@H]1CN(C[C@H](O)C(F)(F)F)C[C@H]1C(N)=O ZINC001307930319 884128103 /nfs/dbraw/zinc/12/81/03/884128103.db2.gz RCRSUZZNRPUZHQ-PBXRRBTRSA-N 0 3 269.223 -1.572 20 0 CAADHN NC(=O)[C@@H]1CN(C[C@@H](O)C(F)(F)F)C[C@H]1C(N)=O ZINC001307930316 884129098 /nfs/dbraw/zinc/12/90/98/884129098.db2.gz RCRSUZZNRPUZHQ-HSUXUTPPSA-N 0 3 269.223 -1.572 20 0 CAADHN NS(=O)(=O)CCCN1CCC(O)(COCCO)CC1 ZINC001308088237 884129420 /nfs/dbraw/zinc/12/94/20/884129420.db2.gz DVAIBSYRXALIPR-UHFFFAOYSA-N 0 3 296.389 -1.499 20 0 CAADHN CS(=O)(=O)NC[C@@H]1CCN(C[C@@H](O)CO)C1 ZINC001308060147 884129616 /nfs/dbraw/zinc/12/96/16/884129616.db2.gz QXAJMJGAZKCVAQ-DTWKUNHWSA-N 0 3 252.336 -1.789 20 0 CAADHN NC(=O)[C@H]1CN([C@@H]2CCCNC2=O)C[C@H]1C(N)=O ZINC001307930809 884129693 /nfs/dbraw/zinc/12/96/93/884129693.db2.gz VDQOCGLJOUQCLS-GJMOJQLCSA-N 0 3 254.290 -2.216 20 0 CAADHN CN1CCC[C@@H](NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC001311657172 884140245 /nfs/dbraw/zinc/14/02/45/884140245.db2.gz YXXAJWNHKXQESS-BBBLOLIVSA-N 0 3 280.328 -1.005 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001316814823 884152030 /nfs/dbraw/zinc/15/20/30/884152030.db2.gz XWLMHHIDZGCYTC-LLVKDONJSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCN1CCOCCO ZINC001316783374 884152459 /nfs/dbraw/zinc/15/24/59/884152459.db2.gz PDSKSPLLYLMDOD-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001316814742 884153380 /nfs/dbraw/zinc/15/33/80/884153380.db2.gz NUNORHJTKLUAND-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O)C(N)=O ZINC001316704073 884153869 /nfs/dbraw/zinc/15/38/69/884153869.db2.gz NJYAMEVRNFPWEJ-VGMNWLOBSA-N 0 3 270.333 -1.438 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@H]1COC(=O)N1 ZINC001316821152 884153950 /nfs/dbraw/zinc/15/39/50/884153950.db2.gz MFWAMECLQKCNRF-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1CCOCCO ZINC001316779014 884154037 /nfs/dbraw/zinc/15/40/37/884154037.db2.gz XSLRSTJMOUZGIA-GRYCIOLGSA-N 0 3 299.371 -1.147 20 0 CAADHN CN(CCCNC(=O)Cn1cncn1)[C@H]1CCCNC1=O ZINC001316865363 884156256 /nfs/dbraw/zinc/15/62/56/884156256.db2.gz XNSZLZBEHRIQBE-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CNC(=O)N1 ZINC001316848905 884157869 /nfs/dbraw/zinc/15/78/69/884157869.db2.gz MVTIJGMCNQFQRG-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCN(C[C@H](C)O)C1 ZINC001316980617 884164454 /nfs/dbraw/zinc/16/44/54/884164454.db2.gz OZOUWWMFXAPBKH-IUCAKERBSA-N 0 3 258.322 -1.513 20 0 CAADHN CCN1CCN(CCNC(=O)[C@@H]2CCNC2=O)CC1 ZINC001316966998 884164728 /nfs/dbraw/zinc/16/47/28/884164728.db2.gz MXBIXQFFMCJFMA-LLVKDONJSA-N 0 3 268.361 -1.124 20 0 CAADHN CCNC(=O)CC(=O)N[C@H]1CCN(C[C@H](O)COC)C1 ZINC001316975862 884165468 /nfs/dbraw/zinc/16/54/68/884165468.db2.gz MKWSUJJVQAARKP-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001317055762 884167559 /nfs/dbraw/zinc/16/75/59/884167559.db2.gz HPHDYBDIINJQEE-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](NC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1)C1CC1 ZINC001317055703 884167057 /nfs/dbraw/zinc/16/70/57/884167057.db2.gz FYQBZUFREYFHLQ-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001317031007 884167509 /nfs/dbraw/zinc/16/75/09/884167509.db2.gz DWKUZHKDCWPFAB-QMMMGPOBSA-N 0 3 267.289 -1.039 20 0 CAADHN CC(C)(C(N)=O)C(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001317014963 884167603 /nfs/dbraw/zinc/16/76/03/884167603.db2.gz DUEZOUADRZWEIC-VHSXEESVSA-N 0 3 296.371 -1.129 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001317030999 884167818 /nfs/dbraw/zinc/16/78/18/884167818.db2.gz DWKUZHKDCWPFAB-MRVPVSSYSA-N 0 3 267.289 -1.039 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001317052327 884167866 /nfs/dbraw/zinc/16/78/66/884167866.db2.gz CVNQADCLAVGIHZ-QMMMGPOBSA-N 0 3 267.293 -2.390 20 0 CAADHN COC[C@H](OC)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001317062838 884167879 /nfs/dbraw/zinc/16/78/79/884167879.db2.gz STGRPVBHCHDHPR-IUCAKERBSA-N 0 3 259.306 -1.676 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001317022331 884167956 /nfs/dbraw/zinc/16/79/56/884167956.db2.gz FLXOPUQKLHLFRY-MRVPVSSYSA-N 0 3 268.317 -1.778 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001317056435 884169436 /nfs/dbraw/zinc/16/94/36/884169436.db2.gz YCFWKWBGAHTMMP-ZETCQYMHSA-N 0 3 285.304 -2.492 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)C(C)(C)C(N)=O)C1CC1)C(N)=O ZINC001317016575 884169779 /nfs/dbraw/zinc/16/97/79/884169779.db2.gz NGCJLXGLMCGDME-CBAPKCEASA-N 0 3 284.360 -1.144 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)C2)CCC1 ZINC001317066209 884171856 /nfs/dbraw/zinc/17/18/56/884171856.db2.gz GSEMTMYBYSWQTJ-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)CC1 ZINC001317063653 884172277 /nfs/dbraw/zinc/17/22/77/884172277.db2.gz CHGPTKATJJPKTE-JTQLQIEISA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)C(=O)NC[C@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC001317135485 884174209 /nfs/dbraw/zinc/17/42/09/884174209.db2.gz LAPUNKIPEABCBX-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)CC(N)=O ZINC001317184821 884175010 /nfs/dbraw/zinc/17/50/10/884175010.db2.gz OKENRAQBEBQXCD-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN NC(=O)C(=O)NC[C@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC001317135482 884175140 /nfs/dbraw/zinc/17/51/40/884175140.db2.gz LAPUNKIPEABCBX-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCCN1C(=O)C(N)=O ZINC001317193955 884175661 /nfs/dbraw/zinc/17/56/61/884175661.db2.gz DONOLHAJFZSJSI-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001317234964 884178037 /nfs/dbraw/zinc/17/80/37/884178037.db2.gz JXKFYFPWNAIUEV-JGVFFNPUSA-N 0 3 268.321 -1.343 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)CCNCC(N)=O ZINC001317592378 884221531 /nfs/dbraw/zinc/22/15/31/884221531.db2.gz ZIYZOPLMMCALRY-UHFFFAOYSA-N 0 3 280.350 -2.541 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C[C@H](C)NC(N)=O ZINC001317586165 884222043 /nfs/dbraw/zinc/22/20/43/884222043.db2.gz FVLQNQFKMJWJNR-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001317229516 884178325 /nfs/dbraw/zinc/17/83/25/884178325.db2.gz OWALTJKYQHPBCT-JGVFFNPUSA-N 0 3 256.306 -1.895 20 0 CAADHN C[C@@H](CNC(=O)C1=COCCO1)N[C@@H]1CCC(=O)NC1=O ZINC001317225323 884177948 /nfs/dbraw/zinc/17/79/48/884177948.db2.gz QBUKYKGWEIYDHW-DTWKUNHWSA-N 0 3 297.311 -1.226 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)c1cnnn1C)C(N)=O ZINC001317237413 884178224 /nfs/dbraw/zinc/17/82/24/884178224.db2.gz YLJXCXYVKJLVTG-YUMQZZPRSA-N 0 3 268.321 -1.213 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001317234961 884178319 /nfs/dbraw/zinc/17/83/19/884178319.db2.gz JXKFYFPWNAIUEV-HTQZYQBOSA-N 0 3 268.321 -1.343 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001317234968 884178367 /nfs/dbraw/zinc/17/83/67/884178367.db2.gz JXKFYFPWNAIUEV-YUMQZZPRSA-N 0 3 268.321 -1.343 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001317223910 884178687 /nfs/dbraw/zinc/17/86/87/884178687.db2.gz GDKRQMZAETVDJN-YUMQZZPRSA-N 0 3 258.322 -1.649 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H](C)n1cncn1 ZINC001317234261 884178723 /nfs/dbraw/zinc/17/87/23/884178723.db2.gz MGUUHRCIHGYGIO-BDAKNGLRSA-N 0 3 268.321 -1.321 20 0 CAADHN C[C@H](CNC(=O)Cc1cc[nH]n1)N[C@@H]1CCC(=O)NC1=O ZINC001317232855 884179679 /nfs/dbraw/zinc/17/96/79/884179679.db2.gz VJWUQSLQBXCPSD-PSASIEDQSA-N 0 3 293.327 -1.148 20 0 CAADHN C[C@@H](CNC(=O)C1(C(N)=O)CC1)N[C@@H](C)C(=O)N(C)C ZINC001317269725 884181472 /nfs/dbraw/zinc/18/14/72/884181472.db2.gz SBFFITAVOGRZSG-IUCAKERBSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CNC(=O)c1cnc[n-]c1=O)[NH2+]CCOCCO ZINC001317247021 884182296 /nfs/dbraw/zinc/18/22/96/884182296.db2.gz JPDWLAHLFWWFFO-VIFPVBQESA-N 0 3 284.316 -1.101 20 0 CAADHN CCCCNC(=O)CN[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001317260874 884182509 /nfs/dbraw/zinc/18/25/09/884182509.db2.gz AJJLBQXQHBPQIE-VIFPVBQESA-N 0 3 297.363 -1.166 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001317252705 884183133 /nfs/dbraw/zinc/18/31/33/884183133.db2.gz BYKSJPCONNHDOJ-RNFRBKRXSA-N 0 3 257.294 -2.410 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCNC1=O)NCCS(C)(=O)=O ZINC001317259430 884183059 /nfs/dbraw/zinc/18/30/59/884183059.db2.gz WITDZNWPEAXEPE-DTWKUNHWSA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@@H](CNC(=O)c1cnco1)NCC(=O)NC(N)=O ZINC001317251550 884183095 /nfs/dbraw/zinc/18/30/95/884183095.db2.gz ANLRPPGNGWEXGZ-LURJTMIESA-N 0 3 269.261 -1.423 20 0 CAADHN CCCCNC(=O)CN[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001317260873 884183336 /nfs/dbraw/zinc/18/33/36/884183336.db2.gz AJJLBQXQHBPQIE-SECBINFHSA-N 0 3 297.363 -1.166 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001317288659 884185137 /nfs/dbraw/zinc/18/51/37/884185137.db2.gz IDZOYCIOIRJPOJ-IYSWYEEDSA-N 0 3 255.278 -1.040 20 0 CAADHN C[C@H](CNC(=O)CCc1cn[nH]c1)NCC(N)=O ZINC001317271274 884185264 /nfs/dbraw/zinc/18/52/64/884185264.db2.gz QOXWYZYTTFWXLS-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ncccn1 ZINC001317283831 884185273 /nfs/dbraw/zinc/18/52/73/884185273.db2.gz ZUNXWMBQLRJCAQ-QMMMGPOBSA-N 0 3 251.290 -1.070 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001317288658 884185294 /nfs/dbraw/zinc/18/52/94/884185294.db2.gz IDZOYCIOIRJPOJ-FSPLSTOPSA-N 0 3 255.278 -1.040 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)C1CC(=O)NC(=O)C1)C(N)=O ZINC001317277515 884185603 /nfs/dbraw/zinc/18/56/03/884185603.db2.gz QNHQEZVLOJRLQH-NKWVEPMBSA-N 0 3 284.316 -1.993 20 0 CAADHN C[C@H](CNC(=O)Cc1ncc[nH]1)N[C@H]1CCNC1=O ZINC001317279009 884186472 /nfs/dbraw/zinc/18/64/72/884186472.db2.gz GUHGHZGWUDUNRJ-BDAKNGLRSA-N 0 3 265.317 -1.065 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001317298809 884188261 /nfs/dbraw/zinc/18/82/61/884188261.db2.gz NVIWQUQOSXTIKI-QMMMGPOBSA-N 0 3 266.305 -1.635 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001317303127 884188705 /nfs/dbraw/zinc/18/87/05/884188705.db2.gz KKKOQPFNBJHVKE-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001317300740 884189371 /nfs/dbraw/zinc/18/93/71/884189371.db2.gz ADODVXKJOGGQIH-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001317300741 884189869 /nfs/dbraw/zinc/18/98/69/884189869.db2.gz ADODVXKJOGGQIH-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(=O)NCC(=O)NCCC[C@@H]1CCCN1CC(N)=O ZINC001317416830 884191062 /nfs/dbraw/zinc/19/10/62/884191062.db2.gz SOUDWFPQIILYEF-LLVKDONJSA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1nnc[n-]1 ZINC001317410997 884192323 /nfs/dbraw/zinc/19/23/23/884192323.db2.gz PDWLDZNCQQSWGZ-MRVPVSSYSA-N 0 3 268.321 -1.422 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCNC(=O)C1)CCOCCO ZINC001317443441 884193915 /nfs/dbraw/zinc/19/39/15/884193915.db2.gz SFEWQBARBXLMDB-LLVKDONJSA-N 0 3 287.360 -1.431 20 0 CAADHN CN(CCNC(=O)[C@H]1CCNC(=O)C1)CCOCCO ZINC001317443444 884194458 /nfs/dbraw/zinc/19/44/58/884194458.db2.gz SFEWQBARBXLMDB-NSHDSACASA-N 0 3 287.360 -1.431 20 0 CAADHN CN(CCO)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001317462757 884201649 /nfs/dbraw/zinc/20/16/49/884201649.db2.gz YFTQTEXJANXWPZ-DTWKUNHWSA-N 0 3 259.306 -1.940 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN(C)C[C@@H](C)O ZINC001317470671 884201777 /nfs/dbraw/zinc/20/17/77/884201777.db2.gz VKMHPNWDGWGPOK-MRVPVSSYSA-N 0 3 267.351 -2.036 20 0 CAADHN CN(CCCO)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC001317467815 884203563 /nfs/dbraw/zinc/20/35/63/884203563.db2.gz ZDEOJVVFYGCRMQ-UHFFFAOYSA-N 0 3 286.332 -1.689 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H]1CNC(=O)C(N)=O ZINC001317507436 884206612 /nfs/dbraw/zinc/20/66/12/884206612.db2.gz JCCDYQQDIPOMGZ-BDAKNGLRSA-N 0 3 259.306 -1.940 20 0 CAADHN NC(=O)C1(C(=O)NC[C@H]2CCCN2CCO)CC1 ZINC001317510802 884211281 /nfs/dbraw/zinc/21/12/81/884211281.db2.gz YCGVRRTXOVQERN-SECBINFHSA-N 0 3 255.318 -1.175 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1cnn(C)c1 ZINC001317564367 884213195 /nfs/dbraw/zinc/21/31/95/884213195.db2.gz DPOZEJVGEXLBRS-UHFFFAOYSA-N 0 3 296.331 -1.463 20 0 CAADHN CCO[C@H]1C[C@H]1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001317570344 884213558 /nfs/dbraw/zinc/21/35/58/884213558.db2.gz PLDZYAPCPFXTEQ-BDAKNGLRSA-N 0 3 286.332 -1.346 20 0 CAADHN CCO[C@@H]1C[C@@H]1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001317570365 884213769 /nfs/dbraw/zinc/21/37/69/884213769.db2.gz PLDZYAPCPFXTEQ-DTWKUNHWSA-N 0 3 286.332 -1.346 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)c1cc[nH]n1 ZINC001317568342 884214675 /nfs/dbraw/zinc/21/46/75/884214675.db2.gz DQLCIFYXMUDZKP-MRVPVSSYSA-N 0 3 279.300 -1.124 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1ccon1 ZINC001317568578 884215222 /nfs/dbraw/zinc/21/52/22/884215222.db2.gz AIBSUOUWUSQWCV-UHFFFAOYSA-N 0 3 269.261 -1.469 20 0 CAADHN CN(CCNCCNS(C)(=O)=O)C(=O)c1cc[nH]n1 ZINC001317569687 884216371 /nfs/dbraw/zinc/21/63/71/884216371.db2.gz MKGZBTKGTVYFFU-UHFFFAOYSA-N 0 3 289.361 -1.380 20 0 CAADHN CN(CCNCc1ccnn1C)C(=O)Cn1cnnn1 ZINC001317565419 884216498 /nfs/dbraw/zinc/21/64/98/884216498.db2.gz WYFFIFUWFBDVSO-UHFFFAOYSA-N 0 3 278.320 -1.345 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cnnn1C ZINC001317584234 884219615 /nfs/dbraw/zinc/21/96/15/884219615.db2.gz YKRWPHUPPVSQFM-MRVPVSSYSA-N 0 3 266.305 -1.635 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1COC(=O)N1 ZINC001317583949 884220095 /nfs/dbraw/zinc/22/00/95/884220095.db2.gz VPGFZLLBQAMRFP-SECBINFHSA-N 0 3 284.316 -1.579 20 0 CAADHN Cc1nnc(CC(=O)N(C)CCN[C@@H](C)C(N)=O)o1 ZINC001317582267 884219991 /nfs/dbraw/zinc/21/99/91/884219991.db2.gz HHQQPBWURAWZPO-ZETCQYMHSA-N 0 3 269.305 -1.158 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cnnn1C)C(N)=O ZINC001317583363 884220628 /nfs/dbraw/zinc/22/06/28/884220628.db2.gz KAPFYLAMWHUHSP-SSDOTTSWSA-N 0 3 254.294 -1.650 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cc1ccn(C)n1 ZINC001317585757 884221306 /nfs/dbraw/zinc/22/13/06/884221306.db2.gz DDJJJXMXDRXOPO-UHFFFAOYSA-N 0 3 267.333 -1.243 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)CC(N)=O)C1=O ZINC001317573722 884221079 /nfs/dbraw/zinc/22/10/79/884221079.db2.gz FKJWCQDWLLYFSC-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN Cc1cc(C(=O)N(C)CCNCC(N)=O)cnn1 ZINC001317580957 884221170 /nfs/dbraw/zinc/22/11/70/884221170.db2.gz CGOPAJVJADIRDP-UHFFFAOYSA-N 0 3 251.290 -1.068 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1COC(=O)N1 ZINC001317583950 884221207 /nfs/dbraw/zinc/22/12/07/884221207.db2.gz VPGFZLLBQAMRFP-VIFPVBQESA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccnn1C)C(N)=O ZINC001317572357 884221355 /nfs/dbraw/zinc/22/13/55/884221355.db2.gz JIWILPABLSGSKM-QMMMGPOBSA-N 0 3 253.306 -1.045 20 0 CAADHN CCn1nncc1C(=O)N(C)CCNCC(=O)NC ZINC001317582053 884221987 /nfs/dbraw/zinc/22/19/87/884221987.db2.gz DIAJSOPUCSGTLV-UHFFFAOYSA-N 0 3 268.321 -1.294 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccnn1C)C(N)=O ZINC001317572356 884222176 /nfs/dbraw/zinc/22/21/76/884222176.db2.gz JIWILPABLSGSKM-MRVPVSSYSA-N 0 3 253.306 -1.045 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)CC(N)=O)C1=O ZINC001317573723 884222209 /nfs/dbraw/zinc/22/22/09/884222209.db2.gz FKJWCQDWLLYFSC-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001317583406 884222590 /nfs/dbraw/zinc/22/25/90/884222590.db2.gz MYTHZJNVYYUYGS-SECBINFHSA-N 0 3 274.321 -1.754 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1ncn(C)n1 ZINC001317582157 884222693 /nfs/dbraw/zinc/22/26/93/884222693.db2.gz FVEUVWBOHYIKTN-UHFFFAOYSA-N 0 3 283.292 -2.328 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cnn(C)c1N)C(N)=O ZINC001317578919 884222938 /nfs/dbraw/zinc/22/29/38/884222938.db2.gz FSQJWTPWJBLVOZ-SSDOTTSWSA-N 0 3 268.321 -1.462 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001317596798 884223321 /nfs/dbraw/zinc/22/33/21/884223321.db2.gz OBJGSWVRPNPNPW-UHFFFAOYSA-N 0 3 295.343 -1.422 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CCn1ccccc1=O ZINC001317591184 884223353 /nfs/dbraw/zinc/22/33/53/884223353.db2.gz MLDTVNOADOGXIN-UHFFFAOYSA-N 0 3 280.328 -1.228 20 0 CAADHN CCN(CC)C(=O)CNCCN(C)C(=O)CC(N)=O ZINC001317574328 884223940 /nfs/dbraw/zinc/22/39/40/884223940.db2.gz LLMLXGWELHWFHO-UHFFFAOYSA-N 0 3 272.349 -1.222 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCN(C)C1=O ZINC001317621214 884224593 /nfs/dbraw/zinc/22/45/93/884224593.db2.gz HNMLQUOSQSAFSL-UWVGGRQHSA-N 0 3 282.344 -1.599 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)[C@H]1CCNC1=O ZINC001317618159 884226677 /nfs/dbraw/zinc/22/66/77/884226677.db2.gz GCGLBNYEUHSSOJ-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001317621680 884224907 /nfs/dbraw/zinc/22/49/07/884224907.db2.gz UUXBKRRSTYKRAI-JZYVYDRUSA-N 0 3 298.343 -1.618 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001317622969 884224957 /nfs/dbraw/zinc/22/49/57/884224957.db2.gz GTCULHQHBLFYDC-UHFFFAOYSA-N 0 3 283.332 -1.077 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001317623097 884225835 /nfs/dbraw/zinc/22/58/35/884225835.db2.gz KPVFRYZEYROCQM-ZETCQYMHSA-N 0 3 267.289 -1.695 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cnc2n1CCOC2 ZINC001317597924 884226239 /nfs/dbraw/zinc/22/62/39/884226239.db2.gz JSSZBMAGPTYZRO-UHFFFAOYSA-N 0 3 281.316 -1.440 20 0 CAADHN Cc1cnn(C)c1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001317619746 884226346 /nfs/dbraw/zinc/22/63/46/884226346.db2.gz IFKRIJUZPHODTR-UHFFFAOYSA-N 0 3 296.331 -1.415 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCNC1=O)C(N)=O ZINC001317618144 884226428 /nfs/dbraw/zinc/22/64/28/884226428.db2.gz FXGQZVVWFVWQHC-SFYZADRCSA-N 0 3 256.306 -1.956 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCN(C)C1=O ZINC001317621692 884226987 /nfs/dbraw/zinc/22/69/87/884226987.db2.gz VMNWLEZETMURSD-MRVPVSSYSA-N 0 3 256.306 -2.002 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)c1cn[nH]n1 ZINC001317605775 884227387 /nfs/dbraw/zinc/22/73/87/884227387.db2.gz WONMTRFCDKWZFX-UHFFFAOYSA-N 0 3 266.305 -1.255 20 0 CAADHN CN(CCNCCS(C)(=O)=O)C(=O)c1cn[nH]n1 ZINC001317603931 884227617 /nfs/dbraw/zinc/22/76/17/884227617.db2.gz GEKQWJZNNKODHR-UHFFFAOYSA-N 0 3 275.334 -1.489 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001317621975 884227702 /nfs/dbraw/zinc/22/77/02/884227702.db2.gz YWTIEFFKPRKRLY-AXTSPUMRSA-N 0 3 255.318 -1.199 20 0 CAADHN CN(CCNCC(N)=O)C(=O)Cn1ncc2cccnc21 ZINC001317611802 884227948 /nfs/dbraw/zinc/22/79/48/884227948.db2.gz DKOYUSASVMPZKN-UHFFFAOYSA-N 0 3 290.327 -1.035 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCNC1=O)C(N)=O ZINC001317618140 884227969 /nfs/dbraw/zinc/22/79/69/884227969.db2.gz FXGQZVVWFVWQHC-HTQZYQBOSA-N 0 3 256.306 -1.956 20 0 CAADHN CC[C@]1(C(=O)N(C)CCN[C@@H]2CCNC2=O)CCNC1=O ZINC001317598600 884228855 /nfs/dbraw/zinc/22/88/55/884228855.db2.gz SXCFLCPOTUXJDQ-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@]1(C)CCNC1=O)C(N)=O ZINC001317628961 884229696 /nfs/dbraw/zinc/22/96/96/884229696.db2.gz MIUVHWNFDKSHTN-ZANVPECISA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCNCc1nnn(C)n1)C(=O)Cc1c[nH]cn1 ZINC001317634043 884230077 /nfs/dbraw/zinc/23/00/77/884230077.db2.gz MJDLDXIKDJEFIX-UHFFFAOYSA-N 0 3 278.320 -1.276 20 0 CAADHN CN(CCNCC(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001317640896 884230137 /nfs/dbraw/zinc/23/01/37/884230137.db2.gz XAIIXNJZXZNUPD-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN CCN(C)C(=O)CNCCN(C)C(=O)c1cnn(C)n1 ZINC001317639504 884230478 /nfs/dbraw/zinc/23/04/78/884230478.db2.gz KXKDIDBPWGIFKB-UHFFFAOYSA-N 0 3 282.348 -1.045 20 0 CAADHN CN(CCNCc1cncn1C)C(=O)[C@H]1CNC(=O)N1 ZINC001317631846 884230805 /nfs/dbraw/zinc/23/08/05/884230805.db2.gz BVNQINQXUDPBAP-SNVBAGLBSA-N 0 3 280.332 -1.351 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)c1nc[nH]n1 ZINC001317638254 884231074 /nfs/dbraw/zinc/23/10/74/884231074.db2.gz ANFOZELAWWCGSL-UHFFFAOYSA-N 0 3 266.305 -1.255 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CN1CCCCCC1=O ZINC001317660440 884231193 /nfs/dbraw/zinc/23/11/93/884231193.db2.gz CFISOYMMECXHFA-UHFFFAOYSA-N 0 3 284.360 -1.078 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CCCCC(N)=O ZINC001317649299 884232031 /nfs/dbraw/zinc/23/20/31/884232031.db2.gz SDTNAMZEGNWXPG-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN COC[C@@H](OC)C(=O)N(C)CCNCC(=O)N(C)C ZINC001317633504 884233418 /nfs/dbraw/zinc/23/34/18/884233418.db2.gz PUNKYGXZMIXMJL-SNVBAGLBSA-N 0 3 275.349 -1.216 20 0 CAADHN COC[C@H](OC)C(=O)N(C)CCNCC(=O)N(C)C ZINC001317633503 884233583 /nfs/dbraw/zinc/23/35/83/884233583.db2.gz PUNKYGXZMIXMJL-JTQLQIEISA-N 0 3 275.349 -1.216 20 0 CAADHN CCN1CCO[C@H](C(=O)N(C)CCNCC(N)=O)C1 ZINC001317666255 884237787 /nfs/dbraw/zinc/23/77/87/884237787.db2.gz UFIJMLBTMCVJIP-JTQLQIEISA-N 0 3 272.349 -1.760 20 0 CAADHN NC(=O)C(=O)NCC[C@@H]1CCN(CC(=O)N2CCC2)C1 ZINC001317798988 884237874 /nfs/dbraw/zinc/23/78/74/884237874.db2.gz ZYWHLLRXNBYWCI-SNVBAGLBSA-N 0 3 282.344 -1.468 20 0 CAADHN CCN(C)C(=O)CNCCN(C)C(=O)CCNC(N)=O ZINC001317661706 884238445 /nfs/dbraw/zinc/23/84/45/884238445.db2.gz JBLRRAYTLQZMFZ-UHFFFAOYSA-N 0 3 287.364 -1.429 20 0 CAADHN CN(CCNCCF)C(=O)c1cn(CC(N)=O)nn1 ZINC001317662909 884238615 /nfs/dbraw/zinc/23/86/15/884238615.db2.gz ARAHGUAWHSTNHE-UHFFFAOYSA-N 0 3 272.284 -1.606 20 0 CAADHN NC(=O)C(=O)NCC[C@H]1CCN(CC(=O)N2CCC2)C1 ZINC001317798987 884238984 /nfs/dbraw/zinc/23/89/84/884238984.db2.gz ZYWHLLRXNBYWCI-JTQLQIEISA-N 0 3 282.344 -1.468 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCC1CN(CCCO)C1 ZINC001318100968 884253660 /nfs/dbraw/zinc/25/36/60/884253660.db2.gz FPHGOZGEOIXBNW-SECBINFHSA-N 0 3 257.334 -1.059 20 0 CAADHN CN1CCN(CCCNC(=O)Cn2cnnn2)CC1 ZINC001318068947 884253858 /nfs/dbraw/zinc/25/38/58/884253858.db2.gz NXAVPQRIUJEIGZ-UHFFFAOYSA-N 0 3 267.337 -1.573 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCC1CN(CCCO)C1 ZINC001318117929 884255228 /nfs/dbraw/zinc/25/52/28/884255228.db2.gz NDRPUEXTSXNMLE-QMMMGPOBSA-N 0 3 258.322 -1.526 20 0 CAADHN CNC(=O)NCC(=O)NCC1CN(CCCO)C1 ZINC001318127032 884256329 /nfs/dbraw/zinc/25/63/29/884256329.db2.gz LORZQQHHIYXVED-UHFFFAOYSA-N 0 3 258.322 -1.654 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001318153762 884257002 /nfs/dbraw/zinc/25/70/02/884257002.db2.gz AKVRBSKUHOVGHF-TVQRCGJNSA-N 0 3 269.345 -1.059 20 0 CAADHN CO[C@H](C)CN1CC(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001318172573 884257251 /nfs/dbraw/zinc/25/72/51/884257251.db2.gz DPYIXTKWFNQQBV-SECBINFHSA-N 0 3 298.343 -1.379 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001318268640 884263337 /nfs/dbraw/zinc/26/33/37/884263337.db2.gz FGBGQTCHCVVAQW-TUAOUCFPSA-N 0 3 299.371 -1.338 20 0 CAADHN COCCN(CCN(C)C)C(=O)CN1C(=O)CNC1=O ZINC001318293660 884264998 /nfs/dbraw/zinc/26/49/98/884264998.db2.gz MCQZBUQMYWWMSI-UHFFFAOYSA-N 0 3 286.332 -1.425 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001318273417 884266352 /nfs/dbraw/zinc/26/63/52/884266352.db2.gz RJAANVQWKSGSTK-VHSXEESVSA-N 0 3 285.344 -1.550 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001318338128 884270247 /nfs/dbraw/zinc/27/02/47/884270247.db2.gz OECLPIRCHBIZHY-NXEZZACHSA-N 0 3 287.360 -1.304 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001318347387 884270457 /nfs/dbraw/zinc/27/04/57/884270457.db2.gz YIENVSKSCXXCID-MXWKQRLJSA-N 0 3 285.344 -1.680 20 0 CAADHN CN(C(=O)Cn1cncn1)[C@H]1CCN(CCOCCO)C1 ZINC001318447009 884274531 /nfs/dbraw/zinc/27/45/31/884274531.db2.gz UODALPWYOQKWQN-LBPRGKRZSA-N 0 3 297.359 -1.180 20 0 CAADHN CCN(C(=O)CC(N)=O)[C@@H]1CCN(CCOCCO)C1 ZINC001318457776 884280064 /nfs/dbraw/zinc/28/00/64/884280064.db2.gz JSUWUNKEPNGLTB-LLVKDONJSA-N 0 3 287.360 -1.207 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NCC(=O)N(C)C1CC1 ZINC001318567215 884283969 /nfs/dbraw/zinc/28/39/69/884283969.db2.gz GKXGNVYIGOZYKJ-MRVPVSSYSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)NCC(=O)NC ZINC001318527337 884284211 /nfs/dbraw/zinc/28/42/11/884284211.db2.gz CEZOBGFZVFFFJQ-SFYZADRCSA-N 0 3 299.331 -2.185 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001318555869 884286679 /nfs/dbraw/zinc/28/66/79/884286679.db2.gz OJVSRSFIWZYJQY-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](CNC(=O)Cc1nonc1C)NCC(N)=O ZINC001318590857 884288778 /nfs/dbraw/zinc/28/87/78/884288778.db2.gz JPBWQDSBUMPJQZ-MRVPVSSYSA-N 0 3 269.305 -1.110 20 0 CAADHN CC[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H](C)C(N)=O ZINC001318593834 884290929 /nfs/dbraw/zinc/29/09/29/884290929.db2.gz CHRKZQAEELTLRU-SFYZADRCSA-N 0 3 268.321 -1.295 20 0 CAADHN COC1CCN(CCNC(=O)CN2C(=O)CNC2=O)CC1 ZINC001318970043 884300939 /nfs/dbraw/zinc/30/09/39/884300939.db2.gz XXLSNLDTVSRWCB-UHFFFAOYSA-N 0 3 298.343 -1.235 20 0 CAADHN CC(=O)N(C)[C@H](C)CNCCNS(C)(=O)=O ZINC001319411708 884326652 /nfs/dbraw/zinc/32/66/52/884326652.db2.gz KTDQEDUKMWXVBU-MRVPVSSYSA-N 0 3 251.352 -1.008 20 0 CAADHN C[C@H](NC[C@H](C)N(C)C(=O)c1cnnn1C)C(N)=O ZINC001319453557 884330892 /nfs/dbraw/zinc/33/08/92/884330892.db2.gz PMZQJFMHYVQBMG-YUMQZZPRSA-N 0 3 268.321 -1.261 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001319522762 884333172 /nfs/dbraw/zinc/33/31/72/884333172.db2.gz KYPLOQWRNNGEFY-UWVGGRQHSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CCNC1=O ZINC001319510907 884335060 /nfs/dbraw/zinc/33/50/60/884335060.db2.gz NEUANKFWDLKZNE-ZJUUUORDSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)C1(C(N)=O)CC1 ZINC001319523438 884336514 /nfs/dbraw/zinc/33/65/14/884336514.db2.gz QYHMVIIIZSQUSA-RKDXNWHRSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001319522764 884336788 /nfs/dbraw/zinc/33/67/88/884336788.db2.gz KYPLOQWRNNGEFY-ZJUUUORDSA-N 0 3 296.371 -1.081 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)C1(C(N)=O)CC1 ZINC001319524881 884337144 /nfs/dbraw/zinc/33/71/44/884337144.db2.gz YUXAILUZFDAESR-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)c1cnn(C)n1 ZINC001319547267 884338616 /nfs/dbraw/zinc/33/86/16/884338616.db2.gz QICKESDCKQVATF-SFYZADRCSA-N 0 3 268.321 -1.261 20 0 CAADHN Cn1cnc(CNC(=O)[C@@H]2CN3CCN2CCC3)n1 ZINC001319693514 884345041 /nfs/dbraw/zinc/34/50/41/884345041.db2.gz HFIMQNOXIXKPBA-JTQLQIEISA-N 0 3 264.333 -1.179 20 0 CAADHN Cn1cnc(CNC(=O)[C@H]2CN3CCN2CCC3)n1 ZINC001319693516 884345535 /nfs/dbraw/zinc/34/55/35/884345535.db2.gz HFIMQNOXIXKPBA-SNVBAGLBSA-N 0 3 264.333 -1.179 20 0 CAADHN C[C@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNCC(=O)N(C)C ZINC001319862280 884355980 /nfs/dbraw/zinc/35/59/80/884355980.db2.gz UWVYPJAFDBMNPZ-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCN(C)CCCO ZINC001319990684 884367545 /nfs/dbraw/zinc/36/75/45/884367545.db2.gz ABOOMMGLINUPKJ-VIFPVBQESA-N 0 3 260.338 -1.184 20 0 CAADHN CN(CCOCCO)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001320047939 884370124 /nfs/dbraw/zinc/37/01/24/884370124.db2.gz LJEJCDHQDWBOOY-SNVBAGLBSA-N 0 3 288.348 -1.933 20 0 CAADHN CN(CCN(C)C(=O)C(N)=O)C[C@@H](O)Cn1cccn1 ZINC001320041740 884370891 /nfs/dbraw/zinc/37/08/91/884370891.db2.gz GPVQBKWWBNPJDW-SNVBAGLBSA-N 0 3 283.332 -1.881 20 0 CAADHN CCCNC(=O)CN1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001320113698 884376177 /nfs/dbraw/zinc/37/61/77/884376177.db2.gz ZJKFRYYVWSBVTH-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1CC1)NCC1CC1 ZINC001320185792 884377799 /nfs/dbraw/zinc/37/77/99/884377799.db2.gz DUJIJWJGLVOGHP-NSHDSACASA-N 0 3 269.345 -1.011 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1CC1)NCC1CC1 ZINC001320185790 884378117 /nfs/dbraw/zinc/37/81/17/884378117.db2.gz DUJIJWJGLVOGHP-LLVKDONJSA-N 0 3 269.345 -1.011 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccco1)C(N)=O ZINC001320187266 884380172 /nfs/dbraw/zinc/38/01/72/884380172.db2.gz KSFWWCDGNXULLK-SFYZADRCSA-N 0 3 255.274 -1.166 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cccnc1)C(N)=O ZINC001320190389 884379932 /nfs/dbraw/zinc/37/99/32/884379932.db2.gz WIVNWQQENSQEKT-SCZZXKLOSA-N 0 3 266.301 -1.364 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)C(F)F)C(N)=O ZINC001320187538 884379976 /nfs/dbraw/zinc/37/99/76/884379976.db2.gz LFOFYYCVRFBCMO-RITPCOANSA-N 0 3 253.249 -1.418 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cccnc1)C(N)=O ZINC001320190388 884381106 /nfs/dbraw/zinc/38/11/06/884381106.db2.gz WIVNWQQENSQEKT-PSASIEDQSA-N 0 3 266.301 -1.364 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CC1CC1 ZINC001320189775 884382378 /nfs/dbraw/zinc/38/23/78/884382378.db2.gz RTKSHBFGDAGOHO-WCBMZHEXSA-N 0 3 257.334 -1.012 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001320198889 884382709 /nfs/dbraw/zinc/38/27/09/884382709.db2.gz HHOMYGNFTQMFEU-HTQZYQBOSA-N 0 3 269.305 -1.776 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)C1CC1 ZINC001320190482 884382899 /nfs/dbraw/zinc/38/28/99/884382899.db2.gz YAVZINISGNYBOZ-JTQLQIEISA-N 0 3 257.334 -1.059 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001320201800 884384059 /nfs/dbraw/zinc/38/40/59/884384059.db2.gz PWOZRCIXMKOCPM-SFYZADRCSA-N 0 3 261.278 -3.046 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@H](O)CNCCF)CC1=O ZINC001320227405 884397071 /nfs/dbraw/zinc/39/70/71/884397071.db2.gz QCKPNEKJXBRHSB-IUCAKERBSA-N 0 3 261.297 -1.499 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1CC=CC1 ZINC001320204538 884383961 /nfs/dbraw/zinc/38/39/61/884383961.db2.gz YCUBLPGETAJKGK-JTQLQIEISA-N 0 3 255.318 -1.235 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccc[nH]1 ZINC001320200290 884384482 /nfs/dbraw/zinc/38/44/82/884384482.db2.gz NDKXLHLSRILYAV-DTWKUNHWSA-N 0 3 268.317 -1.171 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccc[nH]1 ZINC001320200289 884384272 /nfs/dbraw/zinc/38/42/72/884384272.db2.gz NDKXLHLSRILYAV-BDAKNGLRSA-N 0 3 268.317 -1.171 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O)c1ccn[nH]1 ZINC001320200243 884384331 /nfs/dbraw/zinc/38/43/31/884384331.db2.gz MXVFMLQCOOWDAZ-HTQZYQBOSA-N 0 3 295.299 -2.105 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccon1)C(N)=O ZINC001320200233 884384668 /nfs/dbraw/zinc/38/46/68/884384668.db2.gz MWMWDZAYEXAWOC-RNFRBKRXSA-N 0 3 256.262 -1.771 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CC1CCC1 ZINC001320204315 884384929 /nfs/dbraw/zinc/38/49/29/884384929.db2.gz XRTSKFZJTWFHEH-JTQLQIEISA-N 0 3 257.334 -1.011 20 0 CAADHN CC1(C(=O)NC[C@H](O)CNCCS(C)(=O)=O)CC1 ZINC001320233927 884400226 /nfs/dbraw/zinc/40/02/26/884400226.db2.gz SNQYXNVWFUUVMT-SECBINFHSA-N 0 3 278.374 -1.102 20 0 CAADHN Cc1cc(CNC[C@H](O)CNC(=O)CC(N)=O)sn1 ZINC001320202611 884385498 /nfs/dbraw/zinc/38/54/98/884385498.db2.gz PPMYPWMRWTVXCK-QMMMGPOBSA-N 0 3 286.357 -1.106 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCC(=O)NC1=O)c1ccn[nH]1 ZINC001320200276 884387201 /nfs/dbraw/zinc/38/72/01/884387201.db2.gz MXVFMLQCOOWDAZ-SFYZADRCSA-N 0 3 295.299 -2.105 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001320201801 884387725 /nfs/dbraw/zinc/38/77/25/884387725.db2.gz PWOZRCIXMKOCPM-YUMQZZPRSA-N 0 3 261.278 -3.046 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)[nH]n1 ZINC001320200056 884387987 /nfs/dbraw/zinc/38/79/87/884387987.db2.gz DQTVIBFIEVPFPP-SFYZADRCSA-N 0 3 269.305 -1.728 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)OC ZINC001320201095 884388101 /nfs/dbraw/zinc/38/81/01/884388101.db2.gz HQPRLSAXZBMKDI-DTWKUNHWSA-N 0 3 261.322 -1.776 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001320217019 884388594 /nfs/dbraw/zinc/38/85/94/884388594.db2.gz OJZNKZKAQWJQGA-YUMQZZPRSA-N 0 3 274.321 -2.547 20 0 CAADHN CC/C(C)=C\C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001320216119 884388626 /nfs/dbraw/zinc/38/86/26/884388626.db2.gz WHFAUVYTVGYOEK-OTOXVQDCSA-N 0 3 286.332 -1.396 20 0 CAADHN CCCOCC(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001320205950 884389132 /nfs/dbraw/zinc/38/91/32/884389132.db2.gz VWEHKENDMKMANX-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001320215426 884390786 /nfs/dbraw/zinc/39/07/86/884390786.db2.gz FHJKUJDBZHWWON-QMMMGPOBSA-N 0 3 269.305 -1.774 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001320216975 884392131 /nfs/dbraw/zinc/39/21/31/884392131.db2.gz OBCWIWMDSCABCJ-SECBINFHSA-N 0 3 288.348 -2.333 20 0 CAADHN CCCOCC(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001320205951 884392430 /nfs/dbraw/zinc/39/24/30/884392430.db2.gz VWEHKENDMKMANX-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001320215619 884392876 /nfs/dbraw/zinc/39/28/76/884392876.db2.gz SPWWSKIHEHYTBX-NTSWFWBYSA-N 0 3 251.233 -1.806 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)C1(C)CC1 ZINC001320228871 884394052 /nfs/dbraw/zinc/39/40/52/884394052.db2.gz DBGCDZAEBDTFEO-VIFPVBQESA-N 0 3 257.334 -1.059 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc[nH]c1C ZINC001320218236 884394428 /nfs/dbraw/zinc/39/44/28/884394428.db2.gz UBXBSYBPHOAGKC-VIFPVBQESA-N 0 3 268.317 -1.251 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001320217924 884395196 /nfs/dbraw/zinc/39/51/96/884395196.db2.gz QAONKVJBOOVLDG-MRVPVSSYSA-N 0 3 269.305 -2.106 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](O)CNC/C=C\Cl ZINC001320227230 884395318 /nfs/dbraw/zinc/39/53/18/884395318.db2.gz MXRGYOSOBXTBPE-YAJNLLPGSA-N 0 3 278.740 -1.265 20 0 CAADHN CC(=O)NCCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC001320222488 884395896 /nfs/dbraw/zinc/39/58/96/884395896.db2.gz AGFBEVAWGHGSNP-NSHDSACASA-N 0 3 258.322 -1.512 20 0 CAADHN CN1CC[C@@H](CC(=O)NC[C@@H](O)CNCCF)C1=O ZINC001320239287 884397946 /nfs/dbraw/zinc/39/79/46/884397946.db2.gz VPHOYLDFOLHFDV-UWVGGRQHSA-N 0 3 275.324 -1.109 20 0 CAADHN CN1CC[C@@H](CC(=O)NC[C@H](O)CNCCF)C1=O ZINC001320239288 884398815 /nfs/dbraw/zinc/39/88/15/884398815.db2.gz VPHOYLDFOLHFDV-VHSXEESVSA-N 0 3 275.324 -1.109 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001320236443 884399144 /nfs/dbraw/zinc/39/91/44/884399144.db2.gz ZGLNAZMMPLYEEY-SNVBAGLBSA-N 0 3 297.359 -1.502 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)C=CCC1 ZINC001320260205 884402464 /nfs/dbraw/zinc/40/24/64/884402464.db2.gz STNITXKUVJCYHS-ZANVPECISA-N 0 3 298.343 -1.396 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001320250905 884403210 /nfs/dbraw/zinc/40/32/10/884403210.db2.gz VKRDXYKSKHNBJZ-VIFPVBQESA-N 0 3 269.305 -2.256 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](O)C[NH2+]CCCO ZINC001320260751 884404950 /nfs/dbraw/zinc/40/49/50/884404950.db2.gz AZRXUSBKAWDKDO-VIFPVBQESA-N 0 3 284.316 -1.447 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[C@@H]1C ZINC001320260913 884405101 /nfs/dbraw/zinc/40/51/01/884405101.db2.gz VISKKAWSNJPXQF-AEJSXWLSSA-N 0 3 257.334 -1.155 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)C(N)=O ZINC001320270734 884405352 /nfs/dbraw/zinc/40/53/52/884405352.db2.gz OGFAPVVGKZWJJG-ZETCQYMHSA-N 0 3 260.294 -2.937 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(N)=O ZINC001320264042 884405463 /nfs/dbraw/zinc/40/54/63/884405463.db2.gz PZSXZVKCXVBAEJ-UVOCVTCTSA-N 0 3 269.345 -1.027 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001320260994 884405576 /nfs/dbraw/zinc/40/55/76/884405576.db2.gz WHQZYJHGFQBIGW-DTWKUNHWSA-N 0 3 286.332 -2.675 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001320271093 884405679 /nfs/dbraw/zinc/40/56/79/884405679.db2.gz QXCACBUTUVGIOK-SNVBAGLBSA-N 0 3 295.343 -1.748 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1=O ZINC001320261364 884405779 /nfs/dbraw/zinc/40/57/79/884405779.db2.gz CCOHYJISSPTMMF-JGVFFNPUSA-N 0 3 272.305 -2.983 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)C1(C(N)=O)CC1 ZINC001320271092 884405788 /nfs/dbraw/zinc/40/57/88/884405788.db2.gz QXCACBUTUVGIOK-JTQLQIEISA-N 0 3 295.343 -1.748 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C(N)=O)C(=O)N(C)C ZINC001320269983 884406038 /nfs/dbraw/zinc/40/60/38/884406038.db2.gz FSOGVBVNLNMOLR-BQBZGAKWSA-N 0 3 260.294 -2.985 20 0 CAADHN CCC(C)(C)NC(=O)CNC[C@H](O)CNC(=O)C(N)=O ZINC001320270676 884406138 /nfs/dbraw/zinc/40/61/38/884406138.db2.gz NQIZPBDDUORRKJ-QMMMGPOBSA-N 0 3 288.348 -2.157 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(N)=O ZINC001320264040 884406294 /nfs/dbraw/zinc/40/62/94/884406294.db2.gz PZSXZVKCXVBAEJ-FBDQPXRJSA-N 0 3 269.345 -1.027 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001320280624 884408350 /nfs/dbraw/zinc/40/83/50/884408350.db2.gz JSBGEFJZRAIHLD-BDAKNGLRSA-N 0 3 255.318 -1.401 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NC[C@@H](O)CNCCF ZINC001320285243 884408694 /nfs/dbraw/zinc/40/86/94/884408694.db2.gz BAWBACNFAJUNBD-IUCAKERBSA-N 0 3 261.297 -1.309 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccncn1 ZINC001320286902 884412197 /nfs/dbraw/zinc/41/21/97/884412197.db2.gz RUDPOSYKAIWIAU-MRVPVSSYSA-N 0 3 267.289 -2.097 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001320314747 884415245 /nfs/dbraw/zinc/41/52/45/884415245.db2.gz AFUPDANWNSPNOM-JGVFFNPUSA-N 0 3 269.305 -1.728 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001320314744 884415162 /nfs/dbraw/zinc/41/51/62/884415162.db2.gz AFUPDANWNSPNOM-HTQZYQBOSA-N 0 3 269.305 -1.728 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)S(N)(=O)=O ZINC001320559149 884430331 /nfs/dbraw/zinc/43/03/31/884430331.db2.gz BZCQWGQJLCPCEU-QMMMGPOBSA-N 0 3 294.377 -2.200 20 0 CAADHN CCN(CCNCC(=O)NC(=O)NC)C(=O)[C@@H](C)OC ZINC001320693411 884442413 /nfs/dbraw/zinc/44/24/13/884442413.db2.gz YSZRJZPZURKOMJ-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN CCN(CCNCC(=O)N(C)C1CC1)C(=O)CC(N)=O ZINC001320701769 884442623 /nfs/dbraw/zinc/44/26/23/884442623.db2.gz CCSOEQSFKHHNOS-UHFFFAOYSA-N 0 3 284.360 -1.079 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@H]1CN(C)CCO1 ZINC001320702695 884443198 /nfs/dbraw/zinc/44/31/98/884443198.db2.gz GAMFJEROABZWON-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)CO[C@@H]1CCOC1 ZINC001320733675 884445237 /nfs/dbraw/zinc/44/52/37/884445237.db2.gz ACHWVUFIEFKBTI-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001320756549 884445469 /nfs/dbraw/zinc/44/54/69/884445469.db2.gz NWJCIECGGTVSJQ-VIFPVBQESA-N 0 3 270.333 -1.564 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)C(C)(C)C(N)=O ZINC001320758433 884446301 /nfs/dbraw/zinc/44/63/01/884446301.db2.gz KAWDCMFEMMPDNJ-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(CC)CCNCC(N)=O ZINC001320744585 884446328 /nfs/dbraw/zinc/44/63/28/884446328.db2.gz RIMGGSZANAWHFM-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CCN1C(=O)CCC1=O ZINC001320786649 884448080 /nfs/dbraw/zinc/44/80/80/884448080.db2.gz CKDXVTZECJPMEN-UHFFFAOYSA-N 0 3 298.343 -1.551 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@H](C)CC(N)=O ZINC001320810669 884448215 /nfs/dbraw/zinc/44/82/15/884448215.db2.gz BPDBQGVOVCEVDA-SECBINFHSA-N 0 3 272.349 -1.318 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1c[nH]c(=O)n1C ZINC001320811091 884448262 /nfs/dbraw/zinc/44/82/62/884448262.db2.gz IXIYPOCWVGOSSB-UHFFFAOYSA-N 0 3 269.305 -1.337 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1ccnc2n[nH]nc21 ZINC001320792607 884449001 /nfs/dbraw/zinc/44/90/01/884449001.db2.gz YAHIQRPZYRZJTE-UHFFFAOYSA-N 0 3 291.315 -1.110 20 0 CAADHN CCN(CCNCCN(C)S(C)(=O)=O)C(=O)C(N)=O ZINC001320831131 884452329 /nfs/dbraw/zinc/45/23/29/884452329.db2.gz JVTMWMWOLJDDQV-UHFFFAOYSA-N 0 3 294.377 -2.199 20 0 CAADHN COCC(=O)NC/C=C\CN[C@H]1CCC(=O)NC1=O ZINC001320941664 884455469 /nfs/dbraw/zinc/45/54/69/884455469.db2.gz ORFFOSRGSXCAKQ-XADBCAIWSA-N 0 3 269.301 -1.300 20 0 CAADHN COCC(=O)NC/C=C/CN[C@@H]1CCC(=O)NC1=O ZINC001320941659 884455781 /nfs/dbraw/zinc/45/57/81/884455781.db2.gz ORFFOSRGSXCAKQ-GKQMSVHHSA-N 0 3 269.301 -1.300 20 0 CAADHN CC(=O)NCC(=O)NC/C=C\CN[C@H](C)C(N)=O ZINC001320957494 884457437 /nfs/dbraw/zinc/45/74/37/884457437.db2.gz SBLXONYBBMODLQ-TUUFMJSCSA-N 0 3 256.306 -1.742 20 0 CAADHN CCS(=O)(=O)NCCCN1CC[C@](O)(C(N)=O)C1 ZINC001320980616 884457571 /nfs/dbraw/zinc/45/75/71/884457571.db2.gz GYPIOKIONZKUNN-SNVBAGLBSA-N 0 3 279.362 -1.762 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)CCn1cncn1)C(N)=O ZINC001320970204 884458814 /nfs/dbraw/zinc/45/88/14/884458814.db2.gz LMCYPKKTIMLMFP-PBKGFPTLSA-N 0 3 280.332 -1.196 20 0 CAADHN CC(=O)NCC(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001320957495 884458897 /nfs/dbraw/zinc/45/88/97/884458897.db2.gz SBLXONYBBMODLQ-VEMNSZJBSA-N 0 3 256.306 -1.742 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1COCCO1 ZINC001320979007 884459526 /nfs/dbraw/zinc/45/95/26/884459526.db2.gz MMTSFRRTDJPGLU-CBZSPVTBSA-N 0 3 285.344 -1.202 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)CCn1cncn1)C(N)=O ZINC001320970201 884459678 /nfs/dbraw/zinc/45/96/78/884459678.db2.gz LMCYPKKTIMLMFP-MXQLGCADSA-N 0 3 280.332 -1.196 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001321025864 884462009 /nfs/dbraw/zinc/46/20/09/884462009.db2.gz VTALGIFHKWHPNI-MJKAUQOVSA-N 0 3 296.371 -1.091 20 0 CAADHN CN1CCC[C@@H](NC/C=C\CNC(=O)CC(N)=O)C1=O ZINC001320999343 884462453 /nfs/dbraw/zinc/46/24/53/884462453.db2.gz JISKZEODQFACKX-MXQLGCADSA-N 0 3 282.344 -1.255 20 0 CAADHN CC[C@H](NC/C=C\CNC(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001320996333 884463020 /nfs/dbraw/zinc/46/30/20/884463020.db2.gz CUIWUMCIBXFEKZ-RWCMCFKCSA-N 0 3 282.344 -1.209 20 0 CAADHN CC[C@@H](NC/C=C\CNC(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001320996332 884463200 /nfs/dbraw/zinc/46/32/00/884463200.db2.gz CUIWUMCIBXFEKZ-HWKXXFMVSA-N 0 3 282.344 -1.209 20 0 CAADHN O=C(NC/C=C/CN[C@@H]1CCCNC1=O)[C@@H]1COC(=O)N1 ZINC001321043301 884465158 /nfs/dbraw/zinc/46/51/58/884465158.db2.gz CYEIFXAIHLHNEK-HXNLBGINSA-N 0 3 296.327 -1.365 20 0 CAADHN Cc1nnc(CC(=O)NC/C=C\CN[C@@H]2CCNC2=O)[nH]1 ZINC001321050304 884465448 /nfs/dbraw/zinc/46/54/48/884465448.db2.gz CKZAXJLIPYKQEJ-MXQLGCADSA-N 0 3 292.343 -1.194 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CCNC(=O)C1 ZINC001321025869 884465501 /nfs/dbraw/zinc/46/55/01/884465501.db2.gz VTALGIFHKWHPNI-WZQADMAKSA-N 0 3 296.371 -1.091 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCN1C(=O)CNC1=O ZINC001321038101 884466143 /nfs/dbraw/zinc/46/61/43/884466143.db2.gz YHLLGBRLLBYLLL-UHFFFAOYSA-N 0 3 265.273 -1.071 20 0 CAADHN O=C(NC/C=C\CN[C@@H]1CCCNC1=O)[C@@H]1COC(=O)N1 ZINC001321043304 884466439 /nfs/dbraw/zinc/46/64/39/884466439.db2.gz CYEIFXAIHLHNEK-SZXTZRQCSA-N 0 3 296.327 -1.365 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)c1cnn(C)c1N)C(N)=O ZINC001321026285 884466558 /nfs/dbraw/zinc/46/65/58/884466558.db2.gz AJDUSZZQTNFDMA-MPJRPATESA-N 0 3 280.332 -1.248 20 0 CAADHN Cc1nnc(CC(=O)NC/C=C/CN[C@@H]2CCNC2=O)[nH]1 ZINC001321050310 884466592 /nfs/dbraw/zinc/46/65/92/884466592.db2.gz CKZAXJLIPYKQEJ-VMZHVLLKSA-N 0 3 292.343 -1.194 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@@H]1CC(=O)N(C)C1)C(N)=O ZINC001321082402 884469450 /nfs/dbraw/zinc/46/94/50/884469450.db2.gz GMPMSDVNSUQPFN-FCVPOFOPSA-N 0 3 282.344 -1.400 20 0 CAADHN O=C(Cn1ncnn1)NC/C=C\CN[C@H]1CCCNC1=O ZINC001321062671 884469537 /nfs/dbraw/zinc/46/95/37/884469537.db2.gz CFSJJOROMJELFZ-SYBPUXJVSA-N 0 3 293.331 -1.786 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCCCS(C)(=O)=O)C1 ZINC001321137338 884471972 /nfs/dbraw/zinc/47/19/72/884471972.db2.gz WZGKFNHBLWTSOO-NSHDSACASA-N 0 3 293.389 -1.213 20 0 CAADHN O=C1CNC(=O)N1CCN1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001321205103 884476858 /nfs/dbraw/zinc/47/68/58/884476858.db2.gz TYENKQBHGOXMBU-BDAKNGLRSA-N 0 3 282.300 -1.032 20 0 CAADHN NC(=O)CNC/C=C/CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001321211586 884477612 /nfs/dbraw/zinc/47/76/12/884477612.db2.gz OKESWCGPVUYNCV-GPYPMJJRSA-N 0 3 292.343 -1.028 20 0 CAADHN NC(=O)CNC/C=C\CNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001321211587 884478722 /nfs/dbraw/zinc/47/87/22/884478722.db2.gz OKESWCGPVUYNCV-IYABHPQVSA-N 0 3 292.343 -1.028 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)N(C)C ZINC001321248334 884480249 /nfs/dbraw/zinc/48/02/49/884480249.db2.gz BGEOSRXQHNZIBU-OFOQJXSYSA-N 0 3 296.371 -1.154 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CCN(C)C1=O ZINC001321234718 884481794 /nfs/dbraw/zinc/48/17/94/884481794.db2.gz YFIRJLZPMZOANH-BXXZLRJFSA-N 0 3 296.371 -1.139 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)c1cnn(C)n1)C(N)=O ZINC001321288630 884484506 /nfs/dbraw/zinc/48/45/06/884484506.db2.gz FVYAYUTZILQTPM-VEMNSZJBSA-N 0 3 266.305 -1.436 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)CCN1CCOCC1)C(N)=O ZINC001321295248 884484811 /nfs/dbraw/zinc/48/48/11/884484811.db2.gz WYVUXTVYDNMYFW-ZZKXABKFSA-N 0 3 298.387 -1.156 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001321368488 884489388 /nfs/dbraw/zinc/48/93/88/884489388.db2.gz GBNQHFYROLTORD-UWVGGRQHSA-N 0 3 296.327 -1.482 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001321368492 884489562 /nfs/dbraw/zinc/48/95/62/884489562.db2.gz GBNQHFYROLTORD-ZJUUUORDSA-N 0 3 296.327 -1.482 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cnccn1 ZINC001321453027 884492676 /nfs/dbraw/zinc/49/26/76/884492676.db2.gz XXYMYESGPWVJKX-BDAKNGLRSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)C[C@H]1CC(=O)NC1=O)C(N)=O ZINC001321445475 884493055 /nfs/dbraw/zinc/49/30/55/884493055.db2.gz WTGXUVXKSBOTEQ-JKRGSOBMSA-N 0 3 296.327 -1.825 20 0 CAADHN O=C1NC(=O)[C@]2(CCCN(CCn3cncn3)C2)N1 ZINC001321406834 884493353 /nfs/dbraw/zinc/49/33/53/884493353.db2.gz BVYOCMTZFXIDJH-LLVKDONJSA-N 0 3 264.289 -1.048 20 0 CAADHN CCN1CCO[C@H](C(=O)NC/C=C\CNCC(=O)NC)C1 ZINC001321401627 884494494 /nfs/dbraw/zinc/49/44/94/884494494.db2.gz ALOUDCNWGOTQAF-RXNFCKPNSA-N 0 3 298.387 -1.285 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H](C)CNCCF ZINC001321600152 884504310 /nfs/dbraw/zinc/50/43/10/884504310.db2.gz QVQKKUYNDOAXMC-SSDOTTSWSA-N 0 3 270.330 -1.896 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001321618819 884504352 /nfs/dbraw/zinc/50/43/52/884504352.db2.gz ZMNUVOBTRXCMLX-RWHSBRQSSA-N 0 3 295.339 -1.222 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1nnn(C)n1 ZINC001321617234 884504388 /nfs/dbraw/zinc/50/43/88/884504388.db2.gz INIOFHPQBPNWPR-RNFRBKRXSA-N 0 3 267.293 -2.194 20 0 CAADHN CCN(CC)C(=O)[C@@H](C)NC[C@@H](C)NC(=O)C(N)=O ZINC001321640443 884506175 /nfs/dbraw/zinc/50/61/75/884506175.db2.gz FCDSXBSRAMOMEF-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001321628013 884506453 /nfs/dbraw/zinc/50/64/53/884506453.db2.gz LERGINDIXMVVPA-MRVPVSSYSA-N 0 3 270.333 -1.518 20 0 CAADHN Cc1ncc(C(=O)N[C@H](C)CNCC(N)=O)n1C ZINC001321627670 884506732 /nfs/dbraw/zinc/50/67/32/884506732.db2.gz KDVVIHDDULWSFX-SSDOTTSWSA-N 0 3 253.306 -1.078 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)C1(C(=O)NC)CC1)C(N)=O ZINC001321672535 884509075 /nfs/dbraw/zinc/50/90/75/884509075.db2.gz HZJMOORIFWGBHD-RKDXNWHRSA-N 0 3 284.360 -1.129 20 0 CAADHN NS(=O)(=O)C[C@H]1CCCN(CCOCCO)C1 ZINC001321663800 884509171 /nfs/dbraw/zinc/50/91/71/884509171.db2.gz ZIYUFYOJLXOHHL-JTQLQIEISA-N 0 3 266.363 -1.004 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C1CC(=O)NC(=O)C1 ZINC001321680343 884509442 /nfs/dbraw/zinc/50/94/42/884509442.db2.gz DLPJLYUNXHEMMM-VXNVDRBHSA-N 0 3 296.327 -1.978 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)C1(C(=O)NC)CC1)C(N)=O ZINC001321672534 884509755 /nfs/dbraw/zinc/50/97/55/884509755.db2.gz HZJMOORIFWGBHD-BDAKNGLRSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001321680226 884510976 /nfs/dbraw/zinc/51/09/76/884510976.db2.gz AMDZAWYACLELBQ-HTQZYQBOSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1ccn(C)n1 ZINC001321740135 884512492 /nfs/dbraw/zinc/51/24/92/884512492.db2.gz SQCXHYZMZGAHEJ-RKDXNWHRSA-N 0 3 293.327 -1.067 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001321735075 884512810 /nfs/dbraw/zinc/51/28/10/884512810.db2.gz BDRVDQHRTAFLQA-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001321735080 884514246 /nfs/dbraw/zinc/51/42/46/884514246.db2.gz BDRVDQHRTAFLQA-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC001321779534 884515320 /nfs/dbraw/zinc/51/53/20/884515320.db2.gz NGINTOSQRKGEOY-JGVFFNPUSA-N 0 3 258.322 -1.649 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)Cn1cccn1 ZINC001321790197 884515394 /nfs/dbraw/zinc/51/53/94/884515394.db2.gz WNDFUKCMMOJSLF-VIFPVBQESA-N 0 3 253.306 -1.277 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccc(=O)[nH]n1)C(N)=O ZINC001321779205 884516040 /nfs/dbraw/zinc/51/60/40/884516040.db2.gz MTZKGLUIXDLIIG-NKWVEPMBSA-N 0 3 267.289 -1.236 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001321779898 884517076 /nfs/dbraw/zinc/51/70/76/884517076.db2.gz VCIDFNBMCSOEGM-CBAPKCEASA-N 0 3 284.316 -1.978 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)Cn1cnnn1 ZINC001321789613 884517109 /nfs/dbraw/zinc/51/71/09/884517109.db2.gz OEDBPICGOPDZQA-YUMQZZPRSA-N 0 3 269.309 -2.098 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001321832492 884518677 /nfs/dbraw/zinc/51/86/77/884518677.db2.gz ZETMMROEBTVVQT-JGVFFNPUSA-N 0 3 258.322 -1.519 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001321830784 884519915 /nfs/dbraw/zinc/51/99/15/884519915.db2.gz GSXMRXRNNHRVSX-ZETCQYMHSA-N 0 3 256.306 -1.956 20 0 CAADHN C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC001321802220 884520110 /nfs/dbraw/zinc/52/01/10/884520110.db2.gz PCOCFBMBDTZMKM-JTQLQIEISA-N 0 3 296.371 -1.114 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cnnn1C ZINC001321831821 884521150 /nfs/dbraw/zinc/52/11/50/884521150.db2.gz PILYZBLJIKJZHW-YUMQZZPRSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cn(C)nn1 ZINC001321843049 884523427 /nfs/dbraw/zinc/52/34/27/884523427.db2.gz KAEIMIBAHPLVKA-YUMQZZPRSA-N 0 3 266.305 -1.589 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@H]1CCC(=O)NC1 ZINC001322194714 884542789 /nfs/dbraw/zinc/54/27/89/884542789.db2.gz VPZCXEOYQJMFSP-UWVGGRQHSA-N 0 3 257.334 -1.059 20 0 CAADHN Cc1c(CC(=O)N[C@@H](C)CNCC(N)=O)cnn1C ZINC001321868821 884524935 /nfs/dbraw/zinc/52/49/35/884524935.db2.gz DUDCJIMPRLYEHV-QMMMGPOBSA-N 0 3 267.333 -1.149 20 0 CAADHN NC(=O)[C@H]1CCCN(CCCNS(N)(=O)=O)C1 ZINC001322403923 884549151 /nfs/dbraw/zinc/54/91/51/884549151.db2.gz BHRJISUTLHJNTQ-QMMMGPOBSA-N 0 3 264.351 -1.633 20 0 CAADHN NC(=O)[C@@H]1CCCN(CCCNS(N)(=O)=O)C1 ZINC001322403922 884550095 /nfs/dbraw/zinc/55/00/95/884550095.db2.gz BHRJISUTLHJNTQ-MRVPVSSYSA-N 0 3 264.351 -1.633 20 0 CAADHN C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)C1(C(N)=O)CC1 ZINC001321967932 884530604 /nfs/dbraw/zinc/53/06/04/884530604.db2.gz BSZKKYPJLSTSGV-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN CCN(CC)C(=O)[C@@H](C)NC[C@H](C)NC(=O)C(N)=O ZINC001321968104 884530804 /nfs/dbraw/zinc/53/08/04/884530804.db2.gz FCDSXBSRAMOMEF-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001321967017 884530885 /nfs/dbraw/zinc/53/08/85/884530885.db2.gz VVXRUJIOUNDPRM-BQBZGAKWSA-N 0 3 257.294 -2.492 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCNC1=O ZINC001321948026 884531188 /nfs/dbraw/zinc/53/11/88/884531188.db2.gz WNFZDIUOYRUQFB-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CN(CCNC(=O)C(=O)NCCNC(=O)C1CC1)C1CC1 ZINC001322020041 884533727 /nfs/dbraw/zinc/53/37/27/884533727.db2.gz UHXCUXPAVONZSE-UHFFFAOYSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)C1(C(=O)NC)CC1)C(N)=O ZINC001322023383 884533977 /nfs/dbraw/zinc/53/39/77/884533977.db2.gz HZJMOORIFWGBHD-DTWKUNHWSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)Cc1c[nH]cn1 ZINC001322002469 884534142 /nfs/dbraw/zinc/53/41/42/884534142.db2.gz LOLPZALOTQASDX-WCBMZHEXSA-N 0 3 265.317 -1.065 20 0 CAADHN CN(CCNC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1)C1CC1 ZINC001322024664 884534404 /nfs/dbraw/zinc/53/44/04/884534404.db2.gz IMGNIBHCUVADGE-SECBINFHSA-N 0 3 297.359 -1.534 20 0 CAADHN C[C@@H](CN(C)CCOCCO)NC(=O)[C@@H]1COC(=O)N1 ZINC001322150161 884537450 /nfs/dbraw/zinc/53/74/50/884537450.db2.gz YOGACLFUOIEMLO-UWVGGRQHSA-N 0 3 289.332 -1.460 20 0 CAADHN Cc1nonc1C(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001322093008 884536416 /nfs/dbraw/zinc/53/64/16/884536416.db2.gz ATTPWUOHVCGVDT-POYBYMJQSA-N 0 3 267.289 -1.026 20 0 CAADHN C[C@@H](CN(C)CCOCCO)NC(=O)[C@H]1COC(=O)N1 ZINC001322150162 884537529 /nfs/dbraw/zinc/53/75/29/884537529.db2.gz YOGACLFUOIEMLO-VHSXEESVSA-N 0 3 289.332 -1.460 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)Cn1ccccc1=O ZINC001322072475 884537995 /nfs/dbraw/zinc/53/79/95/884537995.db2.gz CHKTWMVSBFDJSK-VIFPVBQESA-N 0 3 266.301 -1.572 20 0 CAADHN C[C@H](CN(C)[C@H]1CCNC1=O)NC(=O)c1cn[nH]n1 ZINC001322192244 884541390 /nfs/dbraw/zinc/54/13/90/884541390.db2.gz GGTUVEVCRBDLTR-APPZFPTMSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@H](CN(C)CCOCCO)NC(=O)[C@@H]1COC(=O)N1 ZINC001322150163 884541567 /nfs/dbraw/zinc/54/15/67/884541567.db2.gz YOGACLFUOIEMLO-ZJUUUORDSA-N 0 3 289.332 -1.460 20 0 CAADHN COCCOCCN(C)C[C@H](C)NC(=O)C(N)=O ZINC001322236359 884545162 /nfs/dbraw/zinc/54/51/62/884545162.db2.gz KSOUXYHLRCJAOM-VIFPVBQESA-N 0 3 261.322 -1.429 20 0 CAADHN CN(CCCNCc1cnnn1C)C(=O)CC(N)=O ZINC001322449290 884554111 /nfs/dbraw/zinc/55/41/11/884554111.db2.gz IVZJYGALSYMOTJ-UHFFFAOYSA-N 0 3 268.321 -1.371 20 0 CAADHN CN(CCCNCc1cnnn1C)C(=O)Cn1ncnn1 ZINC001322511797 884557373 /nfs/dbraw/zinc/55/73/73/884557373.db2.gz LMGOQSFOBFIYCL-UHFFFAOYSA-N 0 3 293.335 -1.560 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCCn1cncn1 ZINC001322495627 884557456 /nfs/dbraw/zinc/55/74/56/884557456.db2.gz KEVVQHWHQJOSGA-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCCn1cncn1 ZINC001322495628 884557562 /nfs/dbraw/zinc/55/75/62/884557562.db2.gz KEVVQHWHQJOSGA-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001322651316 884571231 /nfs/dbraw/zinc/57/12/31/884571231.db2.gz XDRNHKGAEFQIOL-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN1CCN(CCC(=O)NCCOCC(N)=O)CC1 ZINC001322899865 884587310 /nfs/dbraw/zinc/58/73/10/884587310.db2.gz YMGPPEZYULLMSK-UHFFFAOYSA-N 0 3 286.376 -1.368 20 0 CAADHN CC(C)N(CCN(C)C)C(=O)C(=O)NCc1nnn(C)n1 ZINC001322939814 884587615 /nfs/dbraw/zinc/58/76/15/884587615.db2.gz HSKDGHYDHLBRKJ-UHFFFAOYSA-N 0 3 297.363 -1.375 20 0 CAADHN CN1CC[C@@H](NC[C@@H](NC(=O)CC(N)=O)C2CC2)C1=O ZINC001322977916 884589266 /nfs/dbraw/zinc/58/92/66/884589266.db2.gz ZRSXGNPFLJRKRL-NXEZZACHSA-N 0 3 282.344 -1.423 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCc1ncn(C)n1 ZINC001323004054 884591744 /nfs/dbraw/zinc/59/17/44/884591744.db2.gz GZKQFZRZMJFDSS-UHFFFAOYSA-N 0 3 294.359 -1.016 20 0 CAADHN CN1CC[C@H](NC[C@@H](NC(=O)C(N)=O)C2CC2)C1=O ZINC001323063042 884596606 /nfs/dbraw/zinc/59/66/06/884596606.db2.gz DLSKWLVPLPMONC-DTWKUNHWSA-N 0 3 268.317 -1.813 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)C(=O)NCC1CC1)C1CC1)C(N)=O ZINC001323089619 884597069 /nfs/dbraw/zinc/59/70/69/884597069.db2.gz NCFFYQPLBGKPOO-GZMMTYOYSA-N 0 3 296.371 -1.129 20 0 CAADHN Cn1ncc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)n1 ZINC001323086998 884597594 /nfs/dbraw/zinc/59/75/94/884597594.db2.gz BUCBAJGBCQZZAM-QMMMGPOBSA-N 0 3 266.305 -1.602 20 0 CAADHN CN1CC[C@@H](NC[C@H](NC(=O)C(N)=O)C2CC2)C1=O ZINC001323063040 884597852 /nfs/dbraw/zinc/59/78/52/884597852.db2.gz DLSKWLVPLPMONC-BDAKNGLRSA-N 0 3 268.317 -1.813 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](CN[C@H](C)C(N)=O)C2CC2)CC1 ZINC001323080491 884597879 /nfs/dbraw/zinc/59/78/79/884597879.db2.gz IMBRJORPIWFBFF-SCZZXKLOSA-N 0 3 296.371 -1.129 20 0 CAADHN NC(=O)CC(=O)NC[C@@H]1CCN1C[C@H]1CCNC(=O)CC1 ZINC001323210281 884602728 /nfs/dbraw/zinc/60/27/28/884602728.db2.gz IQPMMAXKNFEKJX-MNOVXSKESA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CC(=O)NC[C@@H]1CCN1C[C@@H]1CCNC(=O)CC1 ZINC001323210282 884604576 /nfs/dbraw/zinc/60/45/76/884604576.db2.gz IQPMMAXKNFEKJX-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@H](NC(=O)C(=O)N(C)CCN(C)C)C(=O)N(C)C ZINC001323286448 884606584 /nfs/dbraw/zinc/60/65/84/884606584.db2.gz NKJIOYKWMQUBOU-VIFPVBQESA-N 0 3 272.349 -1.401 20 0 CAADHN CN(C)C(=O)CCNC(=O)C(=O)NCCN(C)C1CC1 ZINC001323297634 884609879 /nfs/dbraw/zinc/60/98/79/884609879.db2.gz KLTFLMKXGVBNRX-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCCCNC(N)=O ZINC001323413253 884617175 /nfs/dbraw/zinc/61/71/75/884617175.db2.gz ICHZZYRDBYJMHI-SECBINFHSA-N 0 3 260.338 -1.136 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCCCNC(N)=O ZINC001323413254 884617797 /nfs/dbraw/zinc/61/77/97/884617797.db2.gz ICHZZYRDBYJMHI-VIFPVBQESA-N 0 3 260.338 -1.136 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCc1nnn(C)n1 ZINC001323686090 884630817 /nfs/dbraw/zinc/63/08/17/884630817.db2.gz SAJBKMGNQJCBNY-UHFFFAOYSA-N 0 3 295.347 -1.621 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCCNC1=O ZINC001324175993 884653836 /nfs/dbraw/zinc/65/38/36/884653836.db2.gz QUMBNUBJYCKYKP-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCCNC1=O ZINC001324175991 884654651 /nfs/dbraw/zinc/65/46/51/884654651.db2.gz QUMBNUBJYCKYKP-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001324218987 884655189 /nfs/dbraw/zinc/65/51/89/884655189.db2.gz BTFOFGVJVHEJLC-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@H]2CNCC(N)=O)CCC1 ZINC001324264184 884656714 /nfs/dbraw/zinc/65/67/14/884656714.db2.gz SNQFASREGUNYDB-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN CN1CCN(CCCCNC(=O)Cn2cnnn2)CC1 ZINC001324255461 884656990 /nfs/dbraw/zinc/65/69/90/884656990.db2.gz MRHNFFUYMVAINV-UHFFFAOYSA-N 0 3 281.364 -1.183 20 0 CAADHN O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCCCO)C1 ZINC001324284672 884660117 /nfs/dbraw/zinc/66/01/17/884660117.db2.gz DHIZTPAFJRYBEV-MNOVXSKESA-N 0 3 278.374 -1.544 20 0 CAADHN CCN(CCO)CCNC(=O)C(=O)Nc1nc(C)n(C)n1 ZINC001324289143 884661195 /nfs/dbraw/zinc/66/11/95/884661195.db2.gz VYOWFNPRUFNMFA-UHFFFAOYSA-N 0 3 298.347 -1.508 20 0 CAADHN O=S1(=O)C[C@@H](NCCCO)[C@H](N2CCOCC2)C1 ZINC001324284671 884661908 /nfs/dbraw/zinc/66/19/08/884661908.db2.gz DHIZTPAFJRYBEV-GHMZBOCLSA-N 0 3 278.374 -1.544 20 0 CAADHN CO[C@@]1(CNC(=O)C(=O)N(C)CCN(C)C)CCOC1 ZINC001324454243 884670528 /nfs/dbraw/zinc/67/05/28/884670528.db2.gz DABTZARWYGEDGY-CYBMUJFWSA-N 0 3 287.360 -1.072 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CC(N)=O)C1CCCC1 ZINC001324467816 884673812 /nfs/dbraw/zinc/67/38/12/884673812.db2.gz VHRREZHQRISGNK-SECBINFHSA-N 0 3 270.333 -1.388 20 0 CAADHN CC(=O)NCC(=O)N[C@]1(C)CCN(CCOCCO)C1 ZINC001324571556 884679052 /nfs/dbraw/zinc/67/90/52/884679052.db2.gz MLFRUMBZHQFOOJ-CYBMUJFWSA-N 0 3 287.360 -1.288 20 0 CAADHN C[C@@]1(NC(=O)CC[C@H]2NC(=O)NC2=O)CCN(CCO)C1 ZINC001324668750 884685187 /nfs/dbraw/zinc/68/51/87/884685187.db2.gz IJPQYMTXEYWJAP-NOZJJQNGSA-N 0 3 298.343 -1.453 20 0 CAADHN CN1CCN(CCCNC(=O)C2(NC(N)=O)CC2)CC1 ZINC001324672812 884686905 /nfs/dbraw/zinc/68/69/05/884686905.db2.gz BQTLTPPTJRGMKQ-UHFFFAOYSA-N 0 3 283.376 -1.059 20 0 CAADHN C[C@@]1(NC(=O)C[C@H]2CC(=O)NC2=O)CCN(CCO)C1 ZINC001324681139 884687606 /nfs/dbraw/zinc/68/76/06/884687606.db2.gz SZQDQPTWYZRIEF-NOZJJQNGSA-N 0 3 283.328 -1.388 20 0 CAADHN C[C@@]1(NC(=O)CN2C(=O)CCC2=O)CCN(CCO)C1 ZINC001324673321 884687928 /nfs/dbraw/zinc/68/79/28/884687928.db2.gz LOJSJNQRGDVREB-CYBMUJFWSA-N 0 3 283.328 -1.292 20 0 CAADHN CC1(CNC(=O)C(N)=O)CCN([C@@H]2CCNC2=O)CC1 ZINC001324880573 884694935 /nfs/dbraw/zinc/69/49/35/884694935.db2.gz OTDNFNREMUXYNY-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN CCOCCN1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001325056101 884704157 /nfs/dbraw/zinc/70/41/57/884704157.db2.gz XLONPEAHLYVHHU-ZDUSSCGKSA-N 0 3 287.360 -1.288 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCOCCO)C1)c1ccon1 ZINC001325069321 884706880 /nfs/dbraw/zinc/70/68/80/884706880.db2.gz GFHGXCVRKRDBCR-ZDUSSCGKSA-N 0 3 299.327 -1.150 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1ccncn1 ZINC001325143354 884714491 /nfs/dbraw/zinc/71/44/91/884714491.db2.gz ZBSYTLWAYNLNDE-GFCCVEGCSA-N 0 3 266.301 -1.365 20 0 CAADHN CNC(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC001325664138 884736263 /nfs/dbraw/zinc/73/62/63/884736263.db2.gz VMHDDYLLJAQUKI-SNVBAGLBSA-N 0 3 256.350 -1.268 20 0 CAADHN Cn1cnc(CNC(=O)NC[C@]2(O)CCN(C)C2)n1 ZINC001325493712 884736283 /nfs/dbraw/zinc/73/62/83/884736283.db2.gz HNTKZMGETLOVMN-LLVKDONJSA-N 0 3 268.321 -1.319 20 0 CAADHN Cn1cc(CNCCOCCCO)c(=O)n(C)c1=O ZINC001325658170 884736839 /nfs/dbraw/zinc/73/68/39/884736839.db2.gz FJGKSRXVRSMULY-UHFFFAOYSA-N 0 3 271.317 -1.427 20 0 CAADHN CCNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(N)=O)C2 ZINC001325630940 884737677 /nfs/dbraw/zinc/73/76/77/884737677.db2.gz YSMLKVJVCQNXNI-JGPRNRPPSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CCCNC(=O)C(=O)NCCN(C)C1CC1 ZINC001325710109 884740543 /nfs/dbraw/zinc/74/05/43/884740543.db2.gz JBAJWTPWIBGHQO-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN COCCOC[C@@H](O)CNC[C@H]1CC(C(N)=O)=NO1 ZINC001325843513 884742902 /nfs/dbraw/zinc/74/29/02/884742902.db2.gz CEQZQGMXQZXLPB-DTWKUNHWSA-N 0 3 275.305 -1.770 20 0 CAADHN COCC(=O)N[C@@]1(CO)CCCN(CCCO)C1 ZINC001325817097 884743217 /nfs/dbraw/zinc/74/32/17/884743217.db2.gz FSTKVTYWDOINBD-LBPRGKRZSA-N 0 3 260.334 -1.042 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCCC(=O)N(C)C ZINC001325890784 884747562 /nfs/dbraw/zinc/74/75/62/884747562.db2.gz HYHCXSRUYMVFKK-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@H]2CNCCO2)CC1=O ZINC001325854981 884748451 /nfs/dbraw/zinc/74/84/51/884748451.db2.gz BEXRJZWHFVQRJV-VHSXEESVSA-N 0 3 255.318 -1.041 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC001325854980 884748274 /nfs/dbraw/zinc/74/82/74/884748274.db2.gz BEXRJZWHFVQRJV-UWVGGRQHSA-N 0 3 255.318 -1.041 20 0 CAADHN C[C@H](CS(C)(=O)=O)NCCC(=O)NC(N)=O ZINC001325870130 884748569 /nfs/dbraw/zinc/74/85/69/884748569.db2.gz BULCNBXATCZPFY-ZCFIWIBFSA-N 0 3 251.308 -1.406 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCNCC(N)=O)no1 ZINC001325969319 884750758 /nfs/dbraw/zinc/75/07/58/884750758.db2.gz KOCHAWARPWTTLD-UHFFFAOYSA-N 0 3 270.289 -1.508 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1C[C@H]1C ZINC001325971444 884751363 /nfs/dbraw/zinc/75/13/63/884751363.db2.gz ISADDLDFSWUXSC-ZJUUUORDSA-N 0 3 257.334 -1.201 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H]1C[C@@H]1C ZINC001325971442 884751419 /nfs/dbraw/zinc/75/14/19/884751419.db2.gz ISADDLDFSWUXSC-VHSXEESVSA-N 0 3 257.334 -1.201 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cc(C)ncn1 ZINC001326010473 884754834 /nfs/dbraw/zinc/75/48/34/884754834.db2.gz ZYZSHYIIPYORKL-UHFFFAOYSA-N 0 3 295.343 -1.445 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C1CC=CC1 ZINC001325996974 884755535 /nfs/dbraw/zinc/75/55/35/884755535.db2.gz ADHMPGJYOBWUHY-UHFFFAOYSA-N 0 3 255.318 -1.152 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(CCO)CCNCC(N)=O ZINC001326011335 884755921 /nfs/dbraw/zinc/75/59/21/884755921.db2.gz ALXMUWYMHVYEEW-SNVBAGLBSA-N 0 3 261.322 -2.101 20 0 CAADHN CC(C)C(=O)N(CCO)CCN[C@@H]1CCC(=O)NC1=O ZINC001325981298 884756467 /nfs/dbraw/zinc/75/64/67/884756467.db2.gz YWIPIIZRBAMPCU-SNVBAGLBSA-N 0 3 285.344 -1.142 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cc(C)n[nH]1 ZINC001325983939 884756516 /nfs/dbraw/zinc/75/65/16/884756516.db2.gz LBQZJWRKLCACQH-UHFFFAOYSA-N 0 3 283.332 -1.512 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cc(C)[nH]n1 ZINC001325983939 884756534 /nfs/dbraw/zinc/75/65/34/884756534.db2.gz LBQZJWRKLCACQH-UHFFFAOYSA-N 0 3 283.332 -1.512 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1cnn2c1CCC2 ZINC001326034639 884758693 /nfs/dbraw/zinc/75/86/93/884758693.db2.gz XUTIPUOHIFHQEY-UHFFFAOYSA-N 0 3 295.343 -1.661 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C1(C(F)F)CC1 ZINC001326024084 884758809 /nfs/dbraw/zinc/75/88/09/884758809.db2.gz SANSDHCYLAFNRZ-UHFFFAOYSA-N 0 3 279.287 -1.073 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001326090699 884767867 /nfs/dbraw/zinc/76/78/67/884767867.db2.gz GCVICZKDDJIEOS-BDAKNGLRSA-N 0 3 286.332 -2.736 20 0 CAADHN COc1cncc(C(=O)N(CCO)CCNCC(N)=O)n1 ZINC001326103799 884768007 /nfs/dbraw/zinc/76/80/07/884768007.db2.gz PUYWDSJNKSENQJ-UHFFFAOYSA-N 0 3 297.315 -2.005 20 0 CAADHN NC(=O)C1=NO[C@@H](CNC[C@@H](O)Cn2cccn2)C1 ZINC001326155305 884769324 /nfs/dbraw/zinc/76/93/24/884769324.db2.gz DEDDMMHIEOYCMQ-RKDXNWHRSA-N 0 3 267.289 -1.536 20 0 CAADHN Cc1nccn1CC(=O)N(CCO)CCNCC(N)=O ZINC001326149584 884770520 /nfs/dbraw/zinc/77/05/20/884770520.db2.gz YRQQUGDCDOVDDK-UHFFFAOYSA-N 0 3 283.332 -1.913 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1nccs1 ZINC001326119147 884770599 /nfs/dbraw/zinc/77/05/99/884770599.db2.gz KDIHLHGMUVHNMR-UHFFFAOYSA-N 0 3 272.330 -1.348 20 0 CAADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCCN1CC[NH2+]CC1 ZINC001326258766 884776744 /nfs/dbraw/zinc/77/67/44/884776744.db2.gz JTUQFHMFMGFVQT-UHFFFAOYSA-N 0 3 296.331 -1.505 20 0 CAADHN CCOC(=O)CC[C@@H](O)CN[C@H](CO)C(=O)NC ZINC001326230473 884777325 /nfs/dbraw/zinc/77/73/25/884777325.db2.gz CZFVFVNUOAKIJJ-RKDXNWHRSA-N 0 3 262.306 -1.613 20 0 CAADHN NC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001326299976 884780868 /nfs/dbraw/zinc/78/08/68/884780868.db2.gz CDVUJUYYJFBIGG-MRVPVSSYSA-N 0 3 266.305 -1.268 20 0 CAADHN NCc1ccc(C(=O)NCC(=O)N2CCNCC2)o1 ZINC001326361072 884788247 /nfs/dbraw/zinc/78/82/47/884788247.db2.gz FWWLXEXBKCEZNB-UHFFFAOYSA-N 0 3 266.301 -1.100 20 0 CAADHN NC(=O)Cn1ccc(NC(=O)C[C@@H]2CNCCO2)n1 ZINC001326346290 884788687 /nfs/dbraw/zinc/78/86/87/884788687.db2.gz DEKXHSMTDQYYNS-MRVPVSSYSA-N 0 3 267.289 -1.315 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)CCO1 ZINC001326353665 884788714 /nfs/dbraw/zinc/78/87/14/884788714.db2.gz NHYFRUPSCYHSMX-BQBZGAKWSA-N 0 3 265.260 -1.058 20 0 CAADHN CN(C)CCn1nccc1NC(=O)CN1C(=O)CNC1=O ZINC001326395509 884790967 /nfs/dbraw/zinc/79/09/67/884790967.db2.gz WUICTYVWIACWCI-UHFFFAOYSA-N 0 3 294.315 -1.065 20 0 CAADHN CS(=O)(=O)CCOCCNC(=O)C[C@@H]1CNCCO1 ZINC001326597313 884810434 /nfs/dbraw/zinc/81/04/34/884810434.db2.gz AMZLZGNDJJCURV-SNVBAGLBSA-N 0 3 294.373 -1.458 20 0 CAADHN COCCNCC(=O)NCCC1N=NC(=S)N1C ZINC001326596722 884812000 /nfs/dbraw/zinc/81/20/00/884812000.db2.gz ZLCIUANETKANTI-UHFFFAOYSA-N 0 3 273.362 -1.002 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCN1C(=O)CNC1=O ZINC001326644915 884818191 /nfs/dbraw/zinc/81/81/91/884818191.db2.gz VKTHAORARDZZSS-UHFFFAOYSA-N 0 3 299.331 -2.326 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NCc1cn(C)nn1 ZINC001326702897 884822109 /nfs/dbraw/zinc/82/21/09/884822109.db2.gz OPWNDLITPXSOIF-LLVKDONJSA-N 0 3 294.359 -1.016 20 0 CAADHN C[C@H](N)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC001326805134 884834749 /nfs/dbraw/zinc/83/47/49/884834749.db2.gz FWUCXTKCWHWHKP-QMMMGPOBSA-N 0 3 264.351 -2.234 20 0 CAADHN O=C([C@@H]1CCNC(=O)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001326824561 884838727 /nfs/dbraw/zinc/83/87/27/884838727.db2.gz XHZDEMXDOVWDRP-OUAUKWLOSA-N 0 3 267.329 -1.210 20 0 CAADHN NC(=O)[C@]1(NC(=O)C[C@H]2CNCCO2)CCOC1 ZINC001326828119 884838748 /nfs/dbraw/zinc/83/87/48/884838748.db2.gz IINDVWLVDNSIKS-KWQFWETISA-N 0 3 257.290 -1.875 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@H]2CNCCO2)c[nH]1 ZINC001326937314 884845002 /nfs/dbraw/zinc/84/50/02/884845002.db2.gz LCXIMSGCCVEQOU-MRVPVSSYSA-N 0 3 252.274 -1.168 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCO[C@@H](CNCCF)C1 ZINC001326973661 884849857 /nfs/dbraw/zinc/84/98/57/884849857.db2.gz HDLNLBLLJRUIFW-IUCAKERBSA-N 0 3 276.312 -1.170 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCO[C@H](CNCCF)C1 ZINC001326973660 884851446 /nfs/dbraw/zinc/85/14/46/884851446.db2.gz HDLNLBLLJRUIFW-DTWKUNHWSA-N 0 3 276.312 -1.170 20 0 CAADHN NC(=O)C(=O)N1CCO[C@H](CNCC(=O)N2CCCC2)C1 ZINC001327020691 884854821 /nfs/dbraw/zinc/85/48/21/884854821.db2.gz QMEQDMQWGNHCJQ-SNVBAGLBSA-N 0 3 298.343 -2.089 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)CNCCOC)CCO1 ZINC001327108083 884863012 /nfs/dbraw/zinc/86/30/12/884863012.db2.gz ZGEQLHXVSNIHCX-SECBINFHSA-N 0 3 259.306 -1.804 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC001327408916 884887720 /nfs/dbraw/zinc/88/77/20/884887720.db2.gz ONWMOVWMDSYMBI-XHNCKOQMSA-N 0 3 289.282 -1.186 20 0 CAADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NC2CCC2)n1 ZINC001327470770 884891355 /nfs/dbraw/zinc/89/13/55/884891355.db2.gz FITIPNQBDDTUQO-UHFFFAOYSA-N 0 3 279.300 -1.074 20 0 CAADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)NCC2CC2)n1 ZINC001327501298 884894867 /nfs/dbraw/zinc/89/48/67/884894867.db2.gz RZVBPKRSQALGCQ-UHFFFAOYSA-N 0 3 279.300 -1.217 20 0 CAADHN Cc1cnn(C)c1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC001327484928 884895255 /nfs/dbraw/zinc/89/52/55/884895255.db2.gz BKQRNMRBTJDHBX-SECBINFHSA-N 0 3 281.316 -1.228 20 0 CAADHN C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)S(C)(=O)=O ZINC001327533328 884897841 /nfs/dbraw/zinc/89/78/41/884897841.db2.gz RBRUPIHYKXVTIV-JGVFFNPUSA-N 0 3 279.362 -1.659 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)C(=O)N(C)CCN)CS1(=O)=O ZINC001327524701 884897883 /nfs/dbraw/zinc/89/78/83/884897883.db2.gz QJEMINBUTWFBRU-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)NC[C@H](C)S(C)(=O)=O ZINC001327533330 884898478 /nfs/dbraw/zinc/89/84/78/884898478.db2.gz RBRUPIHYKXVTIV-YUMQZZPRSA-N 0 3 279.362 -1.659 20 0 CAADHN COC[C@@]1(CO)CCN(CCN2C(=O)CNC2=O)C1 ZINC001327565710 884900084 /nfs/dbraw/zinc/90/00/84/884900084.db2.gz WHVCKZUWAYRPMD-LBPRGKRZSA-N 0 3 271.317 -1.131 20 0 CAADHN C[C@@H](C(=O)N1CCOC2(CNC2)C1)S(C)(=O)=O ZINC001327633391 884912496 /nfs/dbraw/zinc/91/24/96/884912496.db2.gz SWLHWSLWGPXEFO-QMMMGPOBSA-N 0 3 262.331 -1.380 20 0 CAADHN NC(=O)C1(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC001327654483 884916902 /nfs/dbraw/zinc/91/69/02/884916902.db2.gz VCXZREIMNMBODS-DTWKUNHWSA-N 0 3 253.302 -1.471 20 0 CAADHN CCn1nccc1CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC001327658395 884918396 /nfs/dbraw/zinc/91/83/96/884918396.db2.gz ICABLZZBUAIQOM-LLVKDONJSA-N 0 3 295.343 -1.376 20 0 CAADHN Cn1cnnc1N1CCN(C(=O)C2(N)CC2)CC1 ZINC001327663470 884918450 /nfs/dbraw/zinc/91/84/50/884918450.db2.gz SVWPFXIFSQOPKW-UHFFFAOYSA-N 0 3 250.306 -1.045 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCOC2(CNC2)C1 ZINC001327739889 884923708 /nfs/dbraw/zinc/92/37/08/884923708.db2.gz IEIGLNYBAUYRHF-UHFFFAOYSA-N 0 3 263.319 -2.264 20 0 CAADHN C[C@@H](CN1CCN(C)CC1)NC(=O)CN1CCN(C)CC1 ZINC001327751846 884924335 /nfs/dbraw/zinc/92/43/35/884924335.db2.gz MDQPNOMHJVZGPN-AWEZNQCLSA-N 0 3 297.447 -1.014 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001327845827 884931024 /nfs/dbraw/zinc/93/10/24/884931024.db2.gz HARPIVBCDIKQCF-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCC2)n1 ZINC001327857322 884932480 /nfs/dbraw/zinc/93/24/80/884932480.db2.gz FJYYYKJOJBOIDW-UHFFFAOYSA-N 0 3 265.273 -1.511 20 0 CAADHN C[C@H](CNC(=O)C(=O)N[C@H](CN)C1CC1)S(C)(=O)=O ZINC001327840740 884932751 /nfs/dbraw/zinc/93/27/51/884932751.db2.gz IUIVYBNEYNKGPN-VXNVDRBHSA-N 0 3 291.373 -1.611 20 0 CAADHN CNC(=O)C1(C(=O)N2C[C@H](C)[C@H](NCC(N)=O)C2)CCC1 ZINC001327942563 884943063 /nfs/dbraw/zinc/94/30/63/884943063.db2.gz VNOCMDCWPQKNMQ-VHSXEESVSA-N 0 3 296.371 -1.176 20 0 CAADHN CS(=O)(=O)C1(CNCCC(=O)NC(N)=O)CC1 ZINC001327992520 884947040 /nfs/dbraw/zinc/94/70/40/884947040.db2.gz NLZLNYWIGIGKIJ-UHFFFAOYSA-N 0 3 263.319 -1.262 20 0 CAADHN CCNS(=O)(=O)CCNCCC(=O)NC(N)=O ZINC001327977157 884947537 /nfs/dbraw/zinc/94/75/37/884947537.db2.gz GCPMKUYYJFMVSR-UHFFFAOYSA-N 0 3 266.323 -1.900 20 0 CAADHN COC(=O)c1cn(CCNCCS(C)(=O)=O)nn1 ZINC001327994117 884947925 /nfs/dbraw/zinc/94/79/25/884947925.db2.gz ZSAQRZAENBBOKX-UHFFFAOYSA-N 0 3 276.318 -1.301 20 0 CAADHN NCc1cn([C@H]2CCCN(S(N)(=O)=O)C2)nn1 ZINC001328644780 885007047 /nfs/dbraw/zinc/00/70/47/885007047.db2.gz ACDOYYGILYCWTF-QMMMGPOBSA-N 0 3 260.323 -1.423 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1CCC(O)(CNCCF)CC1 ZINC001328197936 884959048 /nfs/dbraw/zinc/95/90/48/884959048.db2.gz FUPLXSYRYOHRLZ-VIFPVBQESA-N 0 3 288.323 -1.420 20 0 CAADHN Cn1nnnc1CNC(=O)CNC[C@@H]1CCCO1 ZINC001328206581 884959496 /nfs/dbraw/zinc/95/94/96/884959496.db2.gz ZLZAZKRRGKJHDF-QMMMGPOBSA-N 0 3 254.294 -1.405 20 0 CAADHN NC(=O)C(=O)N1CCC(O)(CNCC(=O)N2CCC2)CC1 ZINC001328199499 884960541 /nfs/dbraw/zinc/96/05/41/884960541.db2.gz ZAYLEHBKBVAUAE-UHFFFAOYSA-N 0 3 298.343 -2.353 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CCNC2=O)C1 ZINC001328276150 884964322 /nfs/dbraw/zinc/96/43/22/884964322.db2.gz MKGSPAYHUBJNFR-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN Cc1cnn(C)c1NC(=O)C(=O)N1CCOC2(CNC2)C1 ZINC001328334620 884972316 /nfs/dbraw/zinc/97/23/16/884972316.db2.gz RYQKHJSJRZOBIO-UHFFFAOYSA-N 0 3 293.327 -1.132 20 0 CAADHN C[C@]12COC[C@@H]1CN(C(=O)C(=O)NC[C@@H]1CNCCO1)C2 ZINC001328371115 884974262 /nfs/dbraw/zinc/97/42/62/884974262.db2.gz XOSLLIGYFCWBOL-MJVIPROJSA-N 0 3 297.355 -1.414 20 0 CAADHN CCS(=O)(=O)CCNC[C@@H](O)CN1CCCC1=O ZINC001328378717 884976154 /nfs/dbraw/zinc/97/61/54/884976154.db2.gz DUTNRCQPTMDYFF-SNVBAGLBSA-N 0 3 278.374 -1.006 20 0 CAADHN C[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@H]1CNCCO1)C2 ZINC001328371113 884976794 /nfs/dbraw/zinc/97/67/94/884976794.db2.gz XOSLLIGYFCWBOL-GYSYKLTISA-N 0 3 297.355 -1.414 20 0 CAADHN COC(=O)[C@@H]1OCC[C@@H]1NCCN1C(=O)CNC1=O ZINC001328423183 884983138 /nfs/dbraw/zinc/98/31/38/884983138.db2.gz BIEMPNNPGVBZTK-IONNQARKSA-N 0 3 271.273 -1.542 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001328604474 885003746 /nfs/dbraw/zinc/00/37/46/885003746.db2.gz JLXNSLHUSLILCJ-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN NCc1cn([C@@H]2CCCN(S(N)(=O)=O)C2)nn1 ZINC001328644779 885006506 /nfs/dbraw/zinc/00/65/06/885006506.db2.gz ACDOYYGILYCWTF-MRVPVSSYSA-N 0 3 260.323 -1.423 20 0 CAADHN CCN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)C(N)=O ZINC001328644238 885007254 /nfs/dbraw/zinc/00/72/54/885007254.db2.gz UJRNFDOAWSPTLY-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1nccnc1C(N)=O ZINC001328702922 885016009 /nfs/dbraw/zinc/01/60/09/885016009.db2.gz NNIPLOFFCXQPNK-SSDOTTSWSA-N 0 3 267.289 -1.772 20 0 CAADHN C[C@]1(CO)CN(c2nc(N)nc(N)n2)C[C@@]1(C)CO ZINC001328733468 885020093 /nfs/dbraw/zinc/02/00/93/885020093.db2.gz IPJMIZDZBOCDTH-PHIMTYICSA-N 0 3 268.321 -1.147 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001328851886 885030844 /nfs/dbraw/zinc/03/08/44/885030844.db2.gz ZCDCVRDDCIBONB-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001328851888 885031511 /nfs/dbraw/zinc/03/15/11/885031511.db2.gz ZCDCVRDDCIBONB-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN CN(CCNS(C)(=O)=O)CC[C@H]1CCNC1=O ZINC001329001365 885043805 /nfs/dbraw/zinc/04/38/05/885043805.db2.gz YMOIWXUBYYFQEZ-SECBINFHSA-N 0 3 263.363 -1.006 20 0 CAADHN Cn1cc(S(=O)(=O)NCCNC(CO)CO)cn1 ZINC001329018710 885048285 /nfs/dbraw/zinc/04/82/85/885048285.db2.gz SUZVLSDIGQLDFP-UHFFFAOYSA-N 0 3 278.334 -2.359 20 0 CAADHN C[C@H](NCCS(C)(=O)=O)[C@H](C)NC(=O)CC(N)=O ZINC001329008679 885048448 /nfs/dbraw/zinc/04/84/48/885048448.db2.gz NTNATLXLNWSDFD-YUMQZZPRSA-N 0 3 279.362 -1.611 20 0 CAADHN O=C([C@H]1CCNC1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001329062795 885053251 /nfs/dbraw/zinc/05/32/51/885053251.db2.gz SYBFWHQZVTZVGW-AXFHLTTASA-N 0 3 267.329 -1.210 20 0 CAADHN CCN(CCN)C(=O)C(=O)NC[C@H](C)S(C)(=O)=O ZINC001329069989 885054206 /nfs/dbraw/zinc/05/42/06/885054206.db2.gz OUIUKDZTEDMITM-QMMMGPOBSA-N 0 3 279.362 -1.657 20 0 CAADHN CC(C)CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C(N)=O ZINC001329108011 885064606 /nfs/dbraw/zinc/06/46/06/885064606.db2.gz GWZKEYCBFOPTTG-BDAKNGLRSA-N 0 3 272.349 -1.273 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001329111364 885064751 /nfs/dbraw/zinc/06/47/51/885064751.db2.gz SUGWSGLYOWXKNW-GDNZZTSVSA-N 0 3 299.371 -1.168 20 0 CAADHN C[C@@H](NCC(=O)N1CCCC1)[C@@H](C)NC(=O)C(N)=O ZINC001329111525 885065305 /nfs/dbraw/zinc/06/53/05/885065305.db2.gz RPQXCEMTGDNRQY-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCN(CC)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001329108057 885066281 /nfs/dbraw/zinc/06/62/81/885066281.db2.gz HLQCQXIJEOMVOD-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)[C@H](C)NCC(=O)N1CCOCC1 ZINC001329113572 885067038 /nfs/dbraw/zinc/06/70/38/885067038.db2.gz XBULWFRIACOXPT-DTWKUNHWSA-N 0 3 286.332 -2.187 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001329108751 885067070 /nfs/dbraw/zinc/06/70/70/885067070.db2.gz ISOPVSCLCDOHSD-SFYZADRCSA-N 0 3 270.333 -1.519 20 0 CAADHN CS(=O)(=O)CCNC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001329143896 885068308 /nfs/dbraw/zinc/06/83/08/885068308.db2.gz XTZAYOBMMPKHOP-YUMQZZPRSA-N 0 3 250.320 -1.347 20 0 CAADHN COCCNCC(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC001329283051 885083443 /nfs/dbraw/zinc/08/34/43/885083443.db2.gz ZWAQQGBMCASNDA-UHFFFAOYSA-N 0 3 280.328 -1.099 20 0 CAADHN CN(CC(C)(C)C[NH2+]CC(N)=O)C(=O)c1cn[n-]n1 ZINC001329307547 885089775 /nfs/dbraw/zinc/08/97/75/885089775.db2.gz KNOBHKZZUCRDRY-UHFFFAOYSA-N 0 3 268.321 -1.022 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CNCCO1 ZINC001329369735 885090964 /nfs/dbraw/zinc/09/09/64/885090964.db2.gz LMKLGJIHUNOFQY-JGVFFNPUSA-N 0 3 265.335 -1.971 20 0 CAADHN C[C@H](CNC(=O)CC(N)=O)N(C)CCN1C(=O)CCC1=O ZINC001329410024 885100082 /nfs/dbraw/zinc/10/00/82/885100082.db2.gz MRSGFJFAFBTNFO-SECBINFHSA-N 0 3 298.343 -1.553 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N(C)CCOC ZINC001329462005 885102794 /nfs/dbraw/zinc/10/27/94/885102794.db2.gz XAAXMKZFAWMEDH-SECBINFHSA-N 0 3 260.338 -1.002 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)N(C)C[C@H](O)Cn1cccn1 ZINC001329529470 885115149 /nfs/dbraw/zinc/11/51/49/885115149.db2.gz BAXAYNASLLDSPU-ZJUUUORDSA-N 0 3 283.332 -1.834 20 0 CAADHN O=C(CCCN1C(=O)CNC1=O)NCCN1CC[C@@H](O)C1 ZINC001329571117 885118666 /nfs/dbraw/zinc/11/86/66/885118666.db2.gz ZVBWFQWXXXTVKB-SNVBAGLBSA-N 0 3 298.343 -1.499 20 0 CAADHN Cn1cc(CCC(=O)NCCN2CC[C@H](O)C2)nn1 ZINC001329625341 885123347 /nfs/dbraw/zinc/12/33/47/885123347.db2.gz FCSRBGGZNCUXRT-NSHDSACASA-N 0 3 267.333 -1.070 20 0 CAADHN CS(=O)(=O)CCNC[C@]12COCCN1C(=O)COC2 ZINC001329701276 885132369 /nfs/dbraw/zinc/13/23/69/885132369.db2.gz HRZAJNISWKLDSW-LLVKDONJSA-N 0 3 292.357 -1.752 20 0 CAADHN O=C(NCCN1CCCC1=O)C(=O)NC[C@@H]1CNCCO1 ZINC001329726188 885136262 /nfs/dbraw/zinc/13/62/62/885136262.db2.gz CJKAWDZNTJNBAW-JTQLQIEISA-N 0 3 298.343 -2.170 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCNC(=O)C3)C[C@@H]21 ZINC001329738324 885136651 /nfs/dbraw/zinc/13/66/51/885136651.db2.gz HUUUFIXKKIRBAF-MNOVXSKESA-N 0 3 294.355 -1.503 20 0 CAADHN COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC001329812076 885143889 /nfs/dbraw/zinc/14/38/89/885143889.db2.gz SCKRGTMNCFNWCO-NWDGAFQWSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC001329843638 885145767 /nfs/dbraw/zinc/14/57/67/885145767.db2.gz QEBNVTIAMCZEGO-CIUDSAMLSA-N 0 3 291.373 -1.468 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1ccn(CCF)n1 ZINC001329939001 885157094 /nfs/dbraw/zinc/15/70/94/885157094.db2.gz QANXYJRGSRHZCS-SECBINFHSA-N 0 3 299.306 -1.104 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cnnn1C ZINC001329981583 885163104 /nfs/dbraw/zinc/16/31/04/885163104.db2.gz VMPDBIOLALXFAA-ZETCQYMHSA-N 0 3 254.294 -1.180 20 0 CAADHN C[C@H](NC(=O)Cn1ncnn1)C1CN(CCCO)C1 ZINC001329998421 885163564 /nfs/dbraw/zinc/16/35/64/885163564.db2.gz SSFGTZQICUTQLP-VIFPVBQESA-N 0 3 268.321 -1.508 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)C1CN(C[C@@H]2CCc3ncnn32)C1 ZINC001330048711 885168588 /nfs/dbraw/zinc/16/85/88/885168588.db2.gz QEFMVIGOEUQLKY-SCZZXKLOSA-N 0 3 292.343 -1.313 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC001330041789 885169606 /nfs/dbraw/zinc/16/96/06/885169606.db2.gz UPAMCYKOAWYNPM-SDDRHHMPSA-N 0 3 297.355 -1.129 20 0 CAADHN O=C(CCN1C(=O)CCC1=O)NCCN1CC[C@H](O)C1 ZINC001330214296 885182586 /nfs/dbraw/zinc/18/25/86/885182586.db2.gz LTHNERJPPKJHKJ-JTQLQIEISA-N 0 3 283.328 -1.292 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2cc(CO)on2)C1 ZINC001330400646 885192475 /nfs/dbraw/zinc/19/24/75/885192475.db2.gz LXCJWENIPNPFPS-LLVKDONJSA-N 0 3 255.274 -1.037 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2cc(CO)on2)C1 ZINC001330400649 885192795 /nfs/dbraw/zinc/19/27/95/885192795.db2.gz LXCJWENIPNPFPS-NSHDSACASA-N 0 3 255.274 -1.037 20 0 CAADHN CN(C)CCCS(=O)(=O)NCC1(CO)COC1 ZINC001330371087 885192865 /nfs/dbraw/zinc/19/28/65/885192865.db2.gz LMMZMCMFMUQMBR-UHFFFAOYSA-N 0 3 266.363 -1.134 20 0 CAADHN O=C1NC[C@H]2CN(C[C@H]3CNCCO3)CCN2C1=O ZINC001330583643 885208472 /nfs/dbraw/zinc/20/84/72/885208472.db2.gz BULMGPIUZDPTRC-VHSXEESVSA-N 0 3 268.317 -2.383 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CNC(=O)C2)C1 ZINC001330627560 885214310 /nfs/dbraw/zinc/21/43/10/885214310.db2.gz AQLVKIXVVCINSS-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)C[C@@H]3CNCCO3)C[C@H]2C1=O ZINC001330647940 885214737 /nfs/dbraw/zinc/21/47/37/885214737.db2.gz KIXISOPZVGMERU-BBBLOLIVSA-N 0 3 281.312 -1.562 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NCCN1CC[C@H](O)C1 ZINC001330736168 885225961 /nfs/dbraw/zinc/22/59/61/885225961.db2.gz HPTGPEKIFYWGCQ-UWVGGRQHSA-N 0 3 255.318 -1.305 20 0 CAADHN CCN1CCN(C[C@@H](C)CNC(=O)C(N)=O)CC1 ZINC001330855131 885233850 /nfs/dbraw/zinc/23/38/50/885233850.db2.gz YGHQZJGXVUJPOL-JTQLQIEISA-N 0 3 256.350 -1.139 20 0 CAADHN CO[C@@H](CN)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC001330867898 885238601 /nfs/dbraw/zinc/23/86/01/885238601.db2.gz UYAYJEPIBYJSTL-IUCAKERBSA-N 0 3 253.306 -1.009 20 0 CAADHN CNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001330956109 885240697 /nfs/dbraw/zinc/24/06/97/885240697.db2.gz WQLZPEOWWRHFOL-SECBINFHSA-N 0 3 282.348 -1.032 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O ZINC001331369188 885276184 /nfs/dbraw/zinc/27/61/84/885276184.db2.gz CNNSKCQGMPXISX-JGVFFNPUSA-N 0 3 258.322 -1.567 20 0 CAADHN O=C(NCc1ccnc(F)c1)C(=O)NC[C@@H]1CNCCO1 ZINC001331167319 885260415 /nfs/dbraw/zinc/26/04/15/885260415.db2.gz GBAFEYDILBOJMR-JTQLQIEISA-N 0 3 296.302 -1.059 20 0 CAADHN O=C(NCc1ccnc(F)c1)C(=O)NC[C@H]1CNCCO1 ZINC001331167323 885261060 /nfs/dbraw/zinc/26/10/60/885261060.db2.gz GBAFEYDILBOJMR-SNVBAGLBSA-N 0 3 296.302 -1.059 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCCNC(=O)C1)C1CC1 ZINC001331180271 885261621 /nfs/dbraw/zinc/26/16/21/885261621.db2.gz RUKLWPLBWVGCTA-UHFFFAOYSA-N 0 3 282.344 -1.455 20 0 CAADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3cn(C)nn3)[C@H]2C1 ZINC001331245139 885267096 /nfs/dbraw/zinc/26/70/96/885267096.db2.gz PUBWVLBNYWLKOW-BDAKNGLRSA-N 0 3 278.316 -1.084 20 0 CAADHN CN(C(=O)CC(N)=O)[C@@H](CNCC(N)=O)C1CC1 ZINC001331266790 885267796 /nfs/dbraw/zinc/26/77/96/885267796.db2.gz AVRISTHYMNLUQU-QMMMGPOBSA-N 0 3 256.306 -1.826 20 0 CAADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3cn(C)nn3)[C@@H]2C1 ZINC001331245144 885268053 /nfs/dbraw/zinc/26/80/53/885268053.db2.gz PUBWVLBNYWLKOW-RKDXNWHRSA-N 0 3 278.316 -1.084 20 0 CAADHN CN(C(=O)CC(N)=O)[C@H](CNCC(N)=O)C1CC1 ZINC001331266789 885268099 /nfs/dbraw/zinc/26/80/99/885268099.db2.gz AVRISTHYMNLUQU-MRVPVSSYSA-N 0 3 256.306 -1.826 20 0 CAADHN CCNC(=O)CC(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001331274741 885270629 /nfs/dbraw/zinc/27/06/29/885270629.db2.gz OEFNYBHOULKWBP-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C(=O)C(N)=O)[C@H](CNCC(=O)NC1CC1)C1CC1 ZINC001331318776 885273535 /nfs/dbraw/zinc/27/35/35/885273535.db2.gz MDDGBFHYTXEHAQ-SNVBAGLBSA-N 0 3 282.344 -1.423 20 0 CAADHN CN(C(=O)C(N)=O)[C@@H](CNCC(=O)NCC1CC1)C1CC1 ZINC001331318211 885273774 /nfs/dbraw/zinc/27/37/74/885273774.db2.gz JSZZZXPCCKPPBP-NSHDSACASA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)c1nccnc1N)NCC(N)=O ZINC001331411803 885276145 /nfs/dbraw/zinc/27/61/45/885276145.db2.gz YHWQCVOHMLDOEO-SSDOTTSWSA-N 0 3 266.305 -1.406 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O ZINC001331369194 885276087 /nfs/dbraw/zinc/27/60/87/885276087.db2.gz CNNSKCQGMPXISX-YUMQZZPRSA-N 0 3 258.322 -1.567 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001331519101 885283550 /nfs/dbraw/zinc/28/35/50/885283550.db2.gz MPVONWRQDCAVAM-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H]1CS(=O)(=O)CCN1c1nc(N)nc(N)n1 ZINC001331531631 885284709 /nfs/dbraw/zinc/28/47/09/885284709.db2.gz DTLJUUXLJUGUBK-YFKPBYRVSA-N 0 3 258.307 -1.341 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCC(N)=O ZINC001331561959 885288927 /nfs/dbraw/zinc/28/89/27/885288927.db2.gz WTBYVSGAZUQOLL-PRJMDXOYSA-N 0 3 256.306 -1.970 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001331587635 885293491 /nfs/dbraw/zinc/29/34/91/885293491.db2.gz ZZYBJIVTPAKPSR-QMMMGPOBSA-N 0 3 298.343 -1.778 20 0 CAADHN C[C@H](CN(C)C(=O)CCNC(N)=O)NCC(N)=O ZINC001331633568 885300395 /nfs/dbraw/zinc/30/03/95/885300395.db2.gz WOMWEDYYHXUZTK-SSDOTTSWSA-N 0 3 259.310 -2.033 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC[C@H](CF)C1 ZINC001331636590 885300512 /nfs/dbraw/zinc/30/05/12/885300512.db2.gz FNYGKYMNYMLWPC-NXEZZACHSA-N 0 3 273.308 -1.091 20 0 CAADHN C[C@@H](CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O)NCC(N)=O ZINC001331629856 885301329 /nfs/dbraw/zinc/30/13/29/885301329.db2.gz DRUDSWJSAKORRM-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCC(O)(C(N)=O)CC1 ZINC001331648132 885301582 /nfs/dbraw/zinc/30/15/82/885301582.db2.gz GALAVSLTZWZCLG-SECBINFHSA-N 0 3 255.318 -1.081 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1ccnn1C ZINC001331683708 885309842 /nfs/dbraw/zinc/30/98/42/885309842.db2.gz MKTNFYCUYPDITO-VIFPVBQESA-N 0 3 256.306 -1.253 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)c1cnn(C)c1N ZINC001331709891 885320085 /nfs/dbraw/zinc/32/00/85/885320085.db2.gz YTXSHFDMVWKEKC-SECBINFHSA-N 0 3 285.348 -1.281 20 0 CAADHN Cn1c(C(=O)N2CCOC3(CNC3)C2)c[nH]c1=O ZINC001331712656 885320786 /nfs/dbraw/zinc/32/07/86/885320786.db2.gz OZIWXLIFPFQLHK-UHFFFAOYSA-N 0 3 252.274 -1.060 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)c1cc(=O)n(C)cn1 ZINC001331725149 885321321 /nfs/dbraw/zinc/32/13/21/885321321.db2.gz LYGVUOLJCRIZMX-JTQLQIEISA-N 0 3 298.343 -1.503 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cn(C)nc1OC ZINC001331760146 885336052 /nfs/dbraw/zinc/33/60/52/885336052.db2.gz YIHDOBCJQXUTFH-SECBINFHSA-N 0 3 286.332 -1.245 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001331774335 885344577 /nfs/dbraw/zinc/34/45/77/885344577.db2.gz LDWYMPCLMIYDBU-JGVFFNPUSA-N 0 3 260.294 -2.619 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001331774986 885346059 /nfs/dbraw/zinc/34/60/59/885346059.db2.gz QHMOJPZGPKJQDG-DTWKUNHWSA-N 0 3 274.321 -2.229 20 0 CAADHN NC(=O)C(=O)NC[C@H](CO)NCCOCC1CC1 ZINC001331776411 885347021 /nfs/dbraw/zinc/34/70/21/885347021.db2.gz YEWDOPGCUAMTIT-SECBINFHSA-N 0 3 259.306 -2.035 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001331788461 885348049 /nfs/dbraw/zinc/34/80/49/885348049.db2.gz VYUJBSCJDVSSCZ-LPEHRKFASA-N 0 3 289.332 -2.268 20 0 CAADHN CC(C)=CCN[C@@H](CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001331792210 885348904 /nfs/dbraw/zinc/34/89/04/885348904.db2.gz ZEGDZSPBKWKJAG-ZJUUUORDSA-N 0 3 298.343 -1.383 20 0 CAADHN Cn1ncc(CCC(=O)NCCN2CC[C@@H](O)C2)n1 ZINC001331810510 885351041 /nfs/dbraw/zinc/35/10/41/885351041.db2.gz GXPXYXLESGZHAK-LLVKDONJSA-N 0 3 267.333 -1.070 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1ccncn1 ZINC001331806471 885351829 /nfs/dbraw/zinc/35/18/29/885351829.db2.gz VZQYNBOCZMYQQW-VIFPVBQESA-N 0 3 254.290 -1.197 20 0 CAADHN CN(CCO)Cc1cn(C[C@H]2CNCCO2)nn1 ZINC001331857762 885361933 /nfs/dbraw/zinc/36/19/33/885361933.db2.gz OVFFOKFHXZWKAG-LLVKDONJSA-N 0 3 255.322 -1.309 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)C(N)=O ZINC001331916188 885366235 /nfs/dbraw/zinc/36/62/35/885366235.db2.gz DSCWIPSIBKQIJS-SCZZXKLOSA-N 0 3 282.344 -1.329 20 0 CAADHN CO[C@@H](CN)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001331968962 885368023 /nfs/dbraw/zinc/36/80/23/885368023.db2.gz LHENGUDTOYVICL-RNJXMRFFSA-N 0 3 255.274 -1.967 20 0 CAADHN NC(=O)NC(=O)CCNC[C@H]1CCCS1(=O)=O ZINC001331958795 885370276 /nfs/dbraw/zinc/37/02/76/885370276.db2.gz LKOZLECMIZWPIQ-SSDOTTSWSA-N 0 3 263.319 -1.262 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC001332028836 885375335 /nfs/dbraw/zinc/37/53/35/885375335.db2.gz DGNHJZGLCMXSDB-JGVFFNPUSA-N 0 3 266.305 -1.257 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2nc[n-]n2)C1 ZINC001332028836 885375356 /nfs/dbraw/zinc/37/53/56/885375356.db2.gz DGNHJZGLCMXSDB-JGVFFNPUSA-N 0 3 266.305 -1.257 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](C)N ZINC001332124798 885382116 /nfs/dbraw/zinc/38/21/16/885382116.db2.gz MCZJAIUNHJBADH-HTQZYQBOSA-N 0 3 256.306 -1.813 20 0 CAADHN CNS(=O)(=O)CCNC[C@H](O)CC(C)(C)O ZINC001332239371 885395501 /nfs/dbraw/zinc/39/55/01/885395501.db2.gz UPYAUZYVYKQMHG-MRVPVSSYSA-N 0 3 254.352 -1.353 20 0 CAADHN CO[C@H]1C[C@H](CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC001332302873 885396822 /nfs/dbraw/zinc/39/68/22/885396822.db2.gz BMYCWEUQAFAIPX-DCAQKATOSA-N 0 3 285.344 -1.368 20 0 CAADHN O=C(C(=O)N1CCCNCC1)N1CCC(CO)(CO)CC1 ZINC001332286942 885397492 /nfs/dbraw/zinc/39/74/92/885397492.db2.gz ATQHWSBABNVEOC-UHFFFAOYSA-N 0 3 299.371 -1.598 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCCNC(=O)C1 ZINC001332312825 885400326 /nfs/dbraw/zinc/40/03/26/885400326.db2.gz DJSIIFHBRSMQFP-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN Cc1ncc(S(=O)(=O)N2CCNCCNCC2)n1C ZINC001332367757 885403628 /nfs/dbraw/zinc/40/36/28/885403628.db2.gz IJOSMAWVLGPXBT-UHFFFAOYSA-N 0 3 287.389 -1.088 20 0 CAADHN CN(CCO)CCNC(=O)/C=C/Cn1cncn1 ZINC001332364204 885403798 /nfs/dbraw/zinc/40/37/98/885403798.db2.gz JICGUSUQHUVLAS-NSCUHMNNSA-N 0 3 253.306 -1.125 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CC1(C)C ZINC001332404991 885406989 /nfs/dbraw/zinc/40/69/89/885406989.db2.gz NVQRJSFZLYEILL-NXEZZACHSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@H]1COCCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001332412116 885407503 /nfs/dbraw/zinc/40/75/03/885407503.db2.gz MRILECVVPAAIFR-GFCCVEGCSA-N 0 3 298.387 -1.497 20 0 CAADHN COC[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001332412767 885408587 /nfs/dbraw/zinc/40/85/87/885408587.db2.gz PUGJQVUYDHSRAK-LBPRGKRZSA-N 0 3 298.387 -1.497 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)C(F)F)C(N)=O ZINC001332470376 885410488 /nfs/dbraw/zinc/41/04/88/885410488.db2.gz JHQBAIBAKPRDAH-RITPCOANSA-N 0 3 253.249 -1.466 20 0 CAADHN Cc1cc(NC(=O)C(=O)N2CCNCCNCC2)n(C)n1 ZINC001332464301 885410675 /nfs/dbraw/zinc/41/06/75/885410675.db2.gz YCIUTRHGBHBXFJ-UHFFFAOYSA-N 0 3 294.359 -1.312 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@@H]1CCC(=O)NC1=O ZINC001332470426 885411533 /nfs/dbraw/zinc/41/15/33/885411533.db2.gz JKNAQGHCHPJGIB-RKDXNWHRSA-N 0 3 287.316 -2.153 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CN[C@H]1CCC(=O)NC1=O ZINC001332470995 885411827 /nfs/dbraw/zinc/41/18/27/885411827.db2.gz LUQGKTNUIFCLLI-IUCAKERBSA-N 0 3 257.290 -1.780 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCC(=O)NC1=O ZINC001332470400 885411844 /nfs/dbraw/zinc/41/18/44/885411844.db2.gz JKNAQGHCHPJGIB-DTWKUNHWSA-N 0 3 287.316 -2.153 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001332486694 885413196 /nfs/dbraw/zinc/41/31/96/885413196.db2.gz AVNVUCCUCUZVJS-SECBINFHSA-N 0 3 288.348 -2.205 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccoc1 ZINC001332475054 885413340 /nfs/dbraw/zinc/41/33/40/885413340.db2.gz LKCLLYBWHFBAQJ-VIFPVBQESA-N 0 3 255.274 -1.213 20 0 CAADHN CC(=O)N(C)C[C@H](O)CN[C@@H]1CCC(=O)NC1=O ZINC001332470998 885413578 /nfs/dbraw/zinc/41/35/78/885413578.db2.gz LUQGKTNUIFCLLI-RKDXNWHRSA-N 0 3 257.290 -1.780 20 0 CAADHN CC(C)C(=O)N(C)C[C@@H](O)CNCCNS(C)(=O)=O ZINC001332476879 885413715 /nfs/dbraw/zinc/41/37/15/885413715.db2.gz UOPYGGRASKAFRE-JTQLQIEISA-N 0 3 295.405 -1.400 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@H](O)CNCCF ZINC001332502184 885415975 /nfs/dbraw/zinc/41/59/75/885415975.db2.gz APEWMVWICFWRBW-JGVFFNPUSA-N 0 3 264.301 -1.578 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccc(F)nc1 ZINC001332490937 885416453 /nfs/dbraw/zinc/41/64/53/885416453.db2.gz ZOOUCOBFZFAORO-VIFPVBQESA-N 0 3 284.291 -1.272 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CN(C)C(=O)C(N)=O ZINC001332560000 885421740 /nfs/dbraw/zinc/42/17/40/885421740.db2.gz GOJWFGZQZLMQBU-QMMMGPOBSA-N 0 3 274.321 -2.593 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@@H]1CCC(=O)N1 ZINC001332593199 885423182 /nfs/dbraw/zinc/42/31/82/885423182.db2.gz ZYXIUDZANMDMFK-IUCAKERBSA-N 0 3 261.297 -1.357 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@@H]1CCCS1(=O)=O ZINC001332605727 885425911 /nfs/dbraw/zinc/42/59/11/885425911.db2.gz KXFVCTWVNHDHMI-ZJUUUORDSA-N 0 3 296.364 -1.058 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)Cn1cncn1 ZINC001332602546 885426539 /nfs/dbraw/zinc/42/65/39/885426539.db2.gz PXDHMCHNMMLCOE-SECBINFHSA-N 0 3 259.285 -1.344 20 0 CAADHN CN1CCN(CCCNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001332615231 885426730 /nfs/dbraw/zinc/42/67/30/885426730.db2.gz PGZPMPFXDFLBNX-LLVKDONJSA-N 0 3 296.371 -1.207 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@H]1CCCS1(=O)=O ZINC001332605725 885426745 /nfs/dbraw/zinc/42/67/45/885426745.db2.gz KXFVCTWVNHDHMI-VHSXEESVSA-N 0 3 296.364 -1.058 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@H]1CCCS1(=O)=O ZINC001332605722 885427010 /nfs/dbraw/zinc/42/70/10/885427010.db2.gz KXFVCTWVNHDHMI-NXEZZACHSA-N 0 3 296.364 -1.058 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@@H]1CCCS1(=O)=O ZINC001332605724 885427838 /nfs/dbraw/zinc/42/78/38/885427838.db2.gz KXFVCTWVNHDHMI-UWVGGRQHSA-N 0 3 296.364 -1.058 20 0 CAADHN CN(CCn1cncn1)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332664551 885429522 /nfs/dbraw/zinc/42/95/22/885429522.db2.gz VFBDSUZXTVDNBL-VIFPVBQESA-N 0 3 284.320 -2.486 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001332648647 885429828 /nfs/dbraw/zinc/42/98/28/885429828.db2.gz RGIMUZXLMJEAQL-QWRGUYRKSA-N 0 3 287.360 -1.480 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001332665459 885433400 /nfs/dbraw/zinc/43/34/00/885433400.db2.gz SMJVVSZHZCYPQN-JTQLQIEISA-N 0 3 268.317 -1.166 20 0 CAADHN C[C@H](NC(=O)CN1CCN(C)CC1)[C@H]1CN(C)CCN1C ZINC001332753995 885435553 /nfs/dbraw/zinc/43/55/53/885435553.db2.gz AMKIKFNXTSPTQP-UONOGXRCSA-N 0 3 297.447 -1.016 20 0 CAADHN CN(CCNC(=O)c1cccc[n+]1[O-])CCOCCO ZINC001332782694 885440372 /nfs/dbraw/zinc/44/03/72/885440372.db2.gz ISUVPICDECSQKL-UHFFFAOYSA-N 0 3 283.328 -1.010 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CC(N)=O)C(C)(C)C ZINC001332777286 885440405 /nfs/dbraw/zinc/44/04/05/885440405.db2.gz UOPCXPMJFJYVFX-QMMMGPOBSA-N 0 3 272.349 -1.272 20 0 CAADHN CN1CC[C@H](NC[C@@H](NC(=O)C(N)=O)C(C)(C)C)C1=O ZINC001332858248 885442406 /nfs/dbraw/zinc/44/24/06/885442406.db2.gz QDNZQCXXXINAOA-DTWKUNHWSA-N 0 3 284.360 -1.177 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CC[C@@H]2CNC(=O)C2)C1=O ZINC001332845050 885443414 /nfs/dbraw/zinc/44/34/14/885443414.db2.gz TWVOQVMBWLEUFK-DTWKUNHWSA-N 0 3 268.317 -1.005 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCC[C@H]1CCO ZINC001332895403 885447057 /nfs/dbraw/zinc/44/70/57/885447057.db2.gz VWWDDAXSYYEFEF-LBPRGKRZSA-N 0 3 298.387 -1.619 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCC(F)CC1 ZINC001332891367 885447467 /nfs/dbraw/zinc/44/74/67/885447467.db2.gz AYKJDQBJDOVUMP-UHFFFAOYSA-N 0 3 286.351 -1.032 20 0 CAADHN CC1(C)CNC(=O)[C@H]1NC[C@@H](O)Cn1ccnn1 ZINC001332899621 885447573 /nfs/dbraw/zinc/44/75/73/885447573.db2.gz UPJWSMBYKAHYNG-RKDXNWHRSA-N 0 3 253.306 -1.247 20 0 CAADHN CS(=O)(=O)NCC1CCN(C[C@H](O)CO)CC1 ZINC001333032807 885454209 /nfs/dbraw/zinc/45/42/09/885454209.db2.gz SYIZQXJHFBTKCS-JTQLQIEISA-N 0 3 266.363 -1.399 20 0 CAADHN OCc1cn([C@H]2CCCN(C[C@@H](O)CO)C2)nn1 ZINC001333079983 885457340 /nfs/dbraw/zinc/45/73/40/885457340.db2.gz IMTGLFVXPMGDMR-WDEREUQCSA-N 0 3 256.306 -1.240 20 0 CAADHN NC(=O)CN(C[C@@H]1CNCCO1)C1CCOCC1 ZINC001333160897 885459400 /nfs/dbraw/zinc/45/94/00/885459400.db2.gz GTRSGUDKFZGMTQ-NSHDSACASA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@@H](O)[C@@H](O)CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC001333155662 885459464 /nfs/dbraw/zinc/45/94/64/885459464.db2.gz CWPDSNBUXAFYCO-BDAKNGLRSA-N 0 3 271.317 -1.256 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC001333155665 885460772 /nfs/dbraw/zinc/46/07/72/885460772.db2.gz CWPDSNBUXAFYCO-DTWKUNHWSA-N 0 3 271.317 -1.256 20 0 CAADHN CNC(=O)C[NH2+]C1CC(N(C)C(=O)c2nc[n-]n2)C1 ZINC001333128771 885460964 /nfs/dbraw/zinc/46/09/64/885460964.db2.gz LNOIANPHXWIWMB-UHFFFAOYSA-N 0 3 266.305 -1.257 20 0 CAADHN CN(CCOCCN[C@H]1CCNC1=O)C(=O)c1cc[nH]n1 ZINC001333206705 885464225 /nfs/dbraw/zinc/46/42/25/885464225.db2.gz MLPNSOWLPBYAAQ-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN NS(=O)(=O)CCN1CC[C@H](C2OCCO2)C1 ZINC001333238584 885464265 /nfs/dbraw/zinc/46/42/65/885464265.db2.gz OSFVPBBSWLJHAF-QMMMGPOBSA-N 0 3 250.320 -1.030 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN(C[C@@H](O)CO)C1 ZINC001333184348 885464283 /nfs/dbraw/zinc/46/42/83/885464283.db2.gz VPHLCNUDOXDSKM-NXEZZACHSA-N 0 3 266.363 -1.399 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)c1ccnn1C ZINC001333207327 885464874 /nfs/dbraw/zinc/46/48/74/885464874.db2.gz TXJSGJDCVUDLTM-UHFFFAOYSA-N 0 3 297.359 -1.156 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCC1=CCN(CCO)CC1 ZINC001333377218 885473840 /nfs/dbraw/zinc/47/38/40/885473840.db2.gz GKNKGOQQKHSQGD-UHFFFAOYSA-N 0 3 296.371 -1.841 20 0 CAADHN NC(=O)NCCC(=O)NCC1=CCN(CCO)CC1 ZINC001333448094 885480154 /nfs/dbraw/zinc/48/01/54/885480154.db2.gz OZEGSNPZZXPLLW-UHFFFAOYSA-N 0 3 270.333 -1.215 20 0 CAADHN CN(C)CC(=O)NCCOCCNC(=O)CN(C)C ZINC001333513020 885484885 /nfs/dbraw/zinc/48/48/85/885484885.db2.gz AHXSGTJAPXLMIS-UHFFFAOYSA-N 0 3 274.365 -1.641 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H](O)[C@@H](CO)C1 ZINC001333561675 885490596 /nfs/dbraw/zinc/49/05/96/885490596.db2.gz ASZZQGSQLZZTKL-CKYFFXLPSA-N 0 3 261.318 -1.024 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CC[C@H](O)[C@@H](CO)C1 ZINC001333561682 885491161 /nfs/dbraw/zinc/49/11/61/885491161.db2.gz ASZZQGSQLZZTKL-JFGNBEQYSA-N 0 3 261.318 -1.024 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(C[C@H]2CN(C)CCN2C)C1=O ZINC001333582381 885493981 /nfs/dbraw/zinc/49/39/81/885493981.db2.gz ISDKMNBMHJQXOV-GHMZBOCLSA-N 0 3 283.376 -1.286 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCNC[C@@H]1c1nccn1C ZINC001333643205 885498720 /nfs/dbraw/zinc/49/87/20/885498720.db2.gz MVZVSFUFVQZALO-ZJUUUORDSA-N 0 3 267.333 -1.133 20 0 CAADHN O[C@H](CN1C[C@H](O)C[C@H](O)C1)C[C@@]1(O)CCOC1 ZINC001333834512 885506040 /nfs/dbraw/zinc/50/60/40/885506040.db2.gz OTRFDNYWQBLXRQ-USZNOCQGSA-N 0 3 261.318 -1.684 20 0 CAADHN Cn1nnc(C(=O)NCCCN2CCC(O)CC2)n1 ZINC001333995368 885516479 /nfs/dbraw/zinc/51/64/79/885516479.db2.gz PXDMVKQPCSSKFP-UHFFFAOYSA-N 0 3 268.321 -1.213 20 0 CAADHN CCS(=O)(=O)CCNC[C@@H](O)C1(O)CCOCC1 ZINC001334763344 885563546 /nfs/dbraw/zinc/56/35/46/885563546.db2.gz KCAXNYPBCZHXFO-SNVBAGLBSA-N 0 3 281.374 -1.087 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](C)N(C)C(=O)C(N)=O ZINC001334330737 885535652 /nfs/dbraw/zinc/53/56/52/885535652.db2.gz DXKRAXSFIFXVAR-SECBINFHSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CC[C@@H]1O ZINC001334404789 885542403 /nfs/dbraw/zinc/54/24/03/885542403.db2.gz AMLYKSKTONEFKX-NEPJUHHUSA-N 0 3 298.387 -1.763 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CC[C@@H]1O ZINC001334404794 885543917 /nfs/dbraw/zinc/54/39/17/885543917.db2.gz AMLYKSKTONEFKX-RYUDHWBXSA-N 0 3 298.387 -1.763 20 0 CAADHN COCC(=O)NC1CCN(C[C@@H](O)[C@H](C)O)CC1 ZINC001334548536 885552638 /nfs/dbraw/zinc/55/26/38/885552638.db2.gz JNUMNWDRBPWRGE-GXSJLCMTSA-N 0 3 260.334 -1.045 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](C)N(C)C(=O)C(N)=O)N(C)C ZINC001334546054 885552765 /nfs/dbraw/zinc/55/27/65/885552765.db2.gz UIJMZKIYWSHNSS-IUCAKERBSA-N 0 3 272.349 -1.225 20 0 CAADHN COCC(=O)NC1CCN(C[C@@H](O)[C@@H](C)O)CC1 ZINC001334548538 885553666 /nfs/dbraw/zinc/55/36/66/885553666.db2.gz JNUMNWDRBPWRGE-MWLCHTKSSA-N 0 3 260.334 -1.045 20 0 CAADHN COCCn1nnc2c1CCN(c1nc(N)nc(N)n1)C2 ZINC001334938436 885574042 /nfs/dbraw/zinc/57/40/42/885574042.db2.gz YHEAEHWNGUKFPV-UHFFFAOYSA-N 0 3 291.319 -1.163 20 0 CAADHN CCN(CC)CC(=O)N1CC([C@H](C)NC(=O)C(N)=O)C1 ZINC001335119443 885583378 /nfs/dbraw/zinc/58/33/78/885583378.db2.gz XLGLSRXWGZUFHW-VIFPVBQESA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H]1COC[C@@H]1NCCS(=O)(=O)CCC(N)=O ZINC001335128519 885585001 /nfs/dbraw/zinc/58/50/01/885585001.db2.gz OPGXOVNBNLPLKT-BDAKNGLRSA-N 0 3 264.347 -1.099 20 0 CAADHN O=C(NC1CCOCC1)C(=O)N1CCNCCNCC1 ZINC001335187633 885588967 /nfs/dbraw/zinc/58/89/67/885588967.db2.gz NNPNVOGPXBUZNJ-UHFFFAOYSA-N 0 3 284.360 -1.697 20 0 CAADHN C[C@H]1COCCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC001335217580 885593315 /nfs/dbraw/zinc/59/33/15/885593315.db2.gz OZKUZQJSKDWNLJ-MNOVXSKESA-N 0 3 285.344 -1.414 20 0 CAADHN O=C(NCc1cccnc1)C(=O)N1CCNCCNCC1 ZINC001335218674 885593786 /nfs/dbraw/zinc/59/37/86/885593786.db2.gz FIOCWPXPYOLPNA-UHFFFAOYSA-N 0 3 291.355 -1.281 20 0 CAADHN C[C@@H]1C[C@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC001335219080 885593988 /nfs/dbraw/zinc/59/39/88/885593988.db2.gz HFTLDAKBNVYFQC-NXEZZACHSA-N 0 3 254.334 -1.468 20 0 CAADHN COCCN1CC[C@H](N2C(=O)N[C@@H](CO)C2=O)C1 ZINC001335228369 885595353 /nfs/dbraw/zinc/59/53/53/885595353.db2.gz MAJGDJMUJLBRRD-IUCAKERBSA-N 0 3 257.290 -1.380 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCCNCC2)CO1 ZINC001335240401 885596564 /nfs/dbraw/zinc/59/65/64/885596564.db2.gz ISGZJHDTUSIYOP-MNOVXSKESA-N 0 3 284.360 -1.699 20 0 CAADHN O=C(N[C@@H]1CCOC1)C(=O)N1CCNCCNCC1 ZINC001335222295 885597123 /nfs/dbraw/zinc/59/71/23/885597123.db2.gz LLGZXHVBUZFYNR-SNVBAGLBSA-N 0 3 270.333 -2.087 20 0 CAADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCNCCNCC2)CO1 ZINC001335240402 885597134 /nfs/dbraw/zinc/59/71/34/885597134.db2.gz ISGZJHDTUSIYOP-QWRGUYRKSA-N 0 3 284.360 -1.699 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H](C)CS(C)(=O)=O ZINC001335230227 885597268 /nfs/dbraw/zinc/59/72/68/885597268.db2.gz MEVKOJUVPYLOKQ-MRVPVSSYSA-N 0 3 279.362 -1.657 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CCO1 ZINC001335242460 885598999 /nfs/dbraw/zinc/59/89/99/885598999.db2.gz XHUVZXWEPQVOKB-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CCOCCOCCNC(=O)C(=O)N1CCCNCC1 ZINC001335246410 885599860 /nfs/dbraw/zinc/59/98/60/885599860.db2.gz GGOJBQKTQTXDKA-UHFFFAOYSA-N 0 3 287.360 -1.022 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCCNCC2)[C@H](C)O1 ZINC001335255426 885603047 /nfs/dbraw/zinc/60/30/47/885603047.db2.gz LVLLSPRERDKVOC-GRYCIOLGSA-N 0 3 298.387 -1.310 20 0 CAADHN C[C@@](O)(CNC[C@H](O)CS(C)(=O)=O)C(F)F ZINC001335320615 885609300 /nfs/dbraw/zinc/60/93/00/885609300.db2.gz XVOQKMYVDCXGFO-POYBYMJQSA-N 0 3 261.290 -1.002 20 0 CAADHN C=CC(=O)NCCC(=O)NCCN1CC[C@@H](O)C1 ZINC001335354505 885615740 /nfs/dbraw/zinc/61/57/40/885615740.db2.gz SKCASMVRAWDQAY-SNVBAGLBSA-N 0 3 255.318 -1.139 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NCCN1CC[C@H](O)C1 ZINC001335401501 885617933 /nfs/dbraw/zinc/61/79/33/885617933.db2.gz DSJIHGURWFUHRR-ZJUUUORDSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NCCN1CC[C@H](O)C1 ZINC001335401500 885618119 /nfs/dbraw/zinc/61/81/19/885618119.db2.gz DSJIHGURWFUHRR-UWVGGRQHSA-N 0 3 255.318 -1.162 20 0 CAADHN CCN(OC)C(=O)CNC[C@H](O)C[C@@]1(O)CCOC1 ZINC001335467668 885620348 /nfs/dbraw/zinc/62/03/48/885620348.db2.gz AHLWQJXIAHOVBE-PWSUYJOCSA-N 0 3 276.333 -1.112 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001335591113 885625686 /nfs/dbraw/zinc/62/56/86/885625686.db2.gz NOEXOHNBSNDIDV-MRVPVSSYSA-N 0 3 277.346 -1.903 20 0 CAADHN CC[C@@H]1C[C@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC001335739282 885629723 /nfs/dbraw/zinc/62/97/23/885629723.db2.gz KOMAUFKPPNXAGV-GHMZBOCLSA-N 0 3 268.361 -1.078 20 0 CAADHN CON(C)C(=O)CNC[C@H](O)CC1(O)CCOCC1 ZINC001335845960 885640071 /nfs/dbraw/zinc/64/00/71/885640071.db2.gz YABQQEGPLDWWDL-SNVBAGLBSA-N 0 3 276.333 -1.112 20 0 CAADHN CN(CCOCCO)C[C@@H](O)C1(O)CCOCC1 ZINC001335979254 885642906 /nfs/dbraw/zinc/64/29/06/885642906.db2.gz WZMIMNIDMNACER-LLVKDONJSA-N 0 3 263.334 -1.171 20 0 CAADHN O=S1(=O)C[C@H]2CN(C[C@@H]3CNCCO3)C[C@H]2C1 ZINC001336092799 885646569 /nfs/dbraw/zinc/64/65/69/885646569.db2.gz BVTQHTKRRQQQFF-AXFHLTTASA-N 0 3 260.359 -1.049 20 0 CAADHN CN1C(=O)CC[C@H](NC[C@@H](O)C[C@]2(O)CCOC2)C1=O ZINC001336302580 885655227 /nfs/dbraw/zinc/65/52/27/885655227.db2.gz CJNJKIGHMPDNQU-OUJBWJOFSA-N 0 3 286.328 -1.374 20 0 CAADHN CN1C(=O)CC[C@H](NC[C@@H](O)C[C@@]2(O)CCOC2)C1=O ZINC001336302575 885655355 /nfs/dbraw/zinc/65/53/55/885655355.db2.gz CJNJKIGHMPDNQU-KWBADKCTSA-N 0 3 286.328 -1.374 20 0 CAADHN C[C@@H](NC[C@@H](O)C1(O)CCOCC1)C(=O)N(C)C ZINC001336293304 885655736 /nfs/dbraw/zinc/65/57/36/885655736.db2.gz CELGNOLBBLSNJQ-NXEZZACHSA-N 0 3 260.334 -1.045 20 0 CAADHN CN1C(=O)CC[C@H](NC[C@H](O)C[C@@]2(O)CCOC2)C1=O ZINC001336302577 885655970 /nfs/dbraw/zinc/65/59/70/885655970.db2.gz CJNJKIGHMPDNQU-NRUUGDAUSA-N 0 3 286.328 -1.374 20 0 CAADHN C[C@@H](NC[C@H](O)C1(O)CCOCC1)C(=O)N(C)C ZINC001336293306 885657103 /nfs/dbraw/zinc/65/71/03/885657103.db2.gz CELGNOLBBLSNJQ-ZJUUUORDSA-N 0 3 260.334 -1.045 20 0 CAADHN Cn1cc(CNC(=O)C(=O)N2CCNCCNCC2)cn1 ZINC001336558030 885666593 /nfs/dbraw/zinc/66/65/93/885666593.db2.gz VAMDGOLOAVZTRH-UHFFFAOYSA-N 0 3 294.359 -1.942 20 0 CAADHN O=C(N[C@H]1C=CCC1)C(=O)N1CCNCCNCC1 ZINC001336600059 885667865 /nfs/dbraw/zinc/66/78/65/885667865.db2.gz LLMCKIWAMBLQDP-NSHDSACASA-N 0 3 266.345 -1.157 20 0 CAADHN C[C@H]1CCOCCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001336587009 885669754 /nfs/dbraw/zinc/66/97/54/885669754.db2.gz DROCHIKVIVQHLR-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CC(N2CCCC2=O)C1 ZINC001336606950 885672295 /nfs/dbraw/zinc/67/22/95/885672295.db2.gz YUFHLQHJSJKJRS-UHFFFAOYSA-N 0 3 296.371 -1.160 20 0 CAADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)Cn1nnc(N)n1 ZINC001336612473 885672639 /nfs/dbraw/zinc/67/26/39/885672639.db2.gz UREWWOASMFIOOH-BDAKNGLRSA-N 0 3 265.321 -1.050 20 0 CAADHN Cn1ccc(NC(=O)C2CNCCS2(=O)=O)n1 ZINC001336693361 885678376 /nfs/dbraw/zinc/67/83/76/885678376.db2.gz PNQAYLJDRYSDHT-SSDOTTSWSA-N 0 3 258.303 -1.255 20 0 CAADHN O=C1NCCC[C@@H]1NC[C@@H](O)C1(O)CCOCC1 ZINC001336764751 885680746 /nfs/dbraw/zinc/68/07/46/885680746.db2.gz IBIXLDGJOONKTB-VHSXEESVSA-N 0 3 258.318 -1.243 20 0 CAADHN NC(=O)CCNCC(=O)NCCN1CCOCC1 ZINC001336739527 885681397 /nfs/dbraw/zinc/68/13/97/885681397.db2.gz OHWSIJQZZCGGMG-UHFFFAOYSA-N 0 3 258.322 -2.100 20 0 CAADHN CN1C[C@@H]2CN(C(=O)C(=O)N=c3nc[nH]n3C)C[C@]2(C)C1 ZINC001337242088 885694803 /nfs/dbraw/zinc/69/48/03/885694803.db2.gz HVCCQYFSBLJVMD-RNCFNFMXSA-N 0 3 292.343 -1.414 20 0 CAADHN O=C(NCCN1CCNC1=O)C(=O)N1CCCNCC1 ZINC001337539794 885709489 /nfs/dbraw/zinc/70/94/89/885709489.db2.gz JEXZBEHOPHDVLK-UHFFFAOYSA-N 0 3 283.332 -2.050 20 0 CAADHN CNC(=O)C1(NCCN2C(=O)N[C@H](C)C2=O)CCOCC1 ZINC001337601224 885710993 /nfs/dbraw/zinc/71/09/93/885710993.db2.gz HCIQWQOUYNKTOQ-SECBINFHSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)C1(NCCN2C(=O)N[C@@H](C)C2=O)CCOCC1 ZINC001337601226 885711395 /nfs/dbraw/zinc/71/13/95/885711395.db2.gz HCIQWQOUYNKTOQ-VIFPVBQESA-N 0 3 298.343 -1.189 20 0 CAADHN CO[C@H]1CC[C@@H]1N(C)C(=O)C(=O)N1CCNCCNCC1 ZINC001337850355 885725240 /nfs/dbraw/zinc/72/52/40/885725240.db2.gz OOHHSDRSSIBFTC-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H](NC[C@H](O)C[C@]1(O)CCOC1)C(=O)N(C)C ZINC001337854921 885726094 /nfs/dbraw/zinc/72/60/94/885726094.db2.gz OFIDTSSJOBRVAO-CKYFFXLPSA-N 0 3 260.334 -1.045 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC001338006205 885731329 /nfs/dbraw/zinc/73/13/29/885731329.db2.gz PSJXMSIYRSUHME-VHSXEESVSA-N 0 3 275.324 -1.062 20 0 CAADHN O=C(NCc1ccon1)C(=O)N1CCNCCNCC1 ZINC001338276697 885735037 /nfs/dbraw/zinc/73/50/37/885735037.db2.gz FEGFRVNSVKICQN-UHFFFAOYSA-N 0 3 281.316 -1.688 20 0 CAADHN CO[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCNCCNCC2)C1 ZINC001338279380 885737236 /nfs/dbraw/zinc/73/72/36/885737236.db2.gz ISAVGFLHFWALID-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN CO[C@H]1CC[C@H](NC(=O)C(=O)N2CCNCCNCC2)C1 ZINC001338279379 885737171 /nfs/dbraw/zinc/73/71/71/885737171.db2.gz ISAVGFLHFWALID-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN Cn1cc(CN2C[C@@H](O)C[C@H]2CO)c(=O)n(C)c1=O ZINC001338342066 885738743 /nfs/dbraw/zinc/73/87/43/885738743.db2.gz UHDUTJIRNHDCGF-UWVGGRQHSA-N 0 3 269.301 -1.989 20 0 CAADHN CCN1CCC[C@H](NC(=O)C(=O)N2CCCNCC2)C1=O ZINC001338330868 885739822 /nfs/dbraw/zinc/73/98/22/885739822.db2.gz WEABRLDUAZKDTR-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN Cn1ccnc1CNC(=O)C(=O)N1CCNCCNCC1 ZINC001338296433 885740390 /nfs/dbraw/zinc/74/03/90/885740390.db2.gz SXOFOAFYWKEYDE-UHFFFAOYSA-N 0 3 294.359 -1.942 20 0 CAADHN C[C@@H](O)CN[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC001338472408 885744824 /nfs/dbraw/zinc/74/48/24/885744824.db2.gz AFJLFHZVGROSRC-BDAKNGLRSA-N 0 3 264.347 -1.398 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)C(N)=O)N(C)C ZINC001338594560 885748705 /nfs/dbraw/zinc/74/87/05/885748705.db2.gz HRZFERXSSZEFKG-RKDXNWHRSA-N 0 3 288.348 -2.253 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CN(C)C(=O)C(N)=O)N(C)C ZINC001338594558 885750111 /nfs/dbraw/zinc/75/01/11/885750111.db2.gz HRZFERXSSZEFKG-DTWKUNHWSA-N 0 3 288.348 -2.253 20 0 CAADHN NOCCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001338756192 885755962 /nfs/dbraw/zinc/75/59/62/885755962.db2.gz VMVUKWXCKZMWPD-VHSXEESVSA-N 0 3 258.322 -1.273 20 0 CAADHN CN1C[C@@H](O)C[C@]1(C)C(=O)NCCc1nnc[nH]1 ZINC001339085421 885762617 /nfs/dbraw/zinc/76/26/17/885762617.db2.gz CYQBRKYBYQWCBW-GZMMTYOYSA-N 0 3 253.306 -1.082 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CN2CCC1CC2 ZINC001339092277 885767022 /nfs/dbraw/zinc/76/70/22/885767022.db2.gz ACSKFKYUJGITCL-LLVKDONJSA-N 0 3 266.345 -1.371 20 0 CAADHN CN(CCO)CCN(C)c1cc(=O)n(C)c(=O)[nH]1 ZINC001339774882 885777321 /nfs/dbraw/zinc/77/73/21/885777321.db2.gz WAPLVQLVUOAATF-UHFFFAOYSA-N 0 3 256.306 -1.154 20 0 CAADHN Cn1cnn(CC(=O)NC[C@@H]2CNCCO2)c1=O ZINC001339766362 885777802 /nfs/dbraw/zinc/77/78/02/885777802.db2.gz CSAMLQAGKXQBRA-QMMMGPOBSA-N 0 3 255.278 -2.314 20 0 CAADHN CC(C)[C@H]1C(=O)NCCN1C(=O)[C@H]1CNCCN1C ZINC001339921609 885783565 /nfs/dbraw/zinc/78/35/65/885783565.db2.gz YFZRSMXTZMKPEJ-MNOVXSKESA-N 0 3 268.361 -1.127 20 0 CAADHN Cn1cnc(CCCNS(=O)(=O)C2CNC2)n1 ZINC001339935124 885783624 /nfs/dbraw/zinc/78/36/24/885783624.db2.gz ZGSBFJODLSAQIF-UHFFFAOYSA-N 0 3 259.335 -1.361 20 0 CAADHN O=C1CNC(=O)N1CCCN1C[C@H](O)C[C@H](O)C1 ZINC001340049811 885787576 /nfs/dbraw/zinc/78/75/76/885787576.db2.gz WGZHSQDIWIMOSE-DTORHVGOSA-N 0 3 257.290 -1.644 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(Cc2cnn(C)n2)C1=O ZINC001339982204 885787937 /nfs/dbraw/zinc/78/79/37/885787937.db2.gz YGMGEBXCABPREC-MRVPVSSYSA-N 0 3 252.278 -1.203 20 0 CAADHN CN1CCNC[C@H]1C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC001340107585 885791285 /nfs/dbraw/zinc/79/12/85/885791285.db2.gz OTHGTIIBJFSPCM-DTWKUNHWSA-N 0 3 256.350 -1.094 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCCNC(=O)C1 ZINC001340097487 885791376 /nfs/dbraw/zinc/79/13/76/885791376.db2.gz FFXXFOJNAFBSOQ-UHFFFAOYSA-N 0 3 297.359 -2.644 20 0 CAADHN C[C@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](C)CN1 ZINC001340129363 885792264 /nfs/dbraw/zinc/79/22/64/885792264.db2.gz UVRRXAFZAMMAGK-FXQIFTODSA-N 0 3 254.290 -1.207 20 0 CAADHN C[C@@H]1CN(CCCNC(=O)[C@H](N)CO)C[C@H](C)O1 ZINC001340155578 885794013 /nfs/dbraw/zinc/79/40/13/885794013.db2.gz RDLXTVVXXOAPHL-OUAUKWLOSA-N 0 3 259.350 -1.079 20 0 CAADHN C[C@H]1CN(CCCNC(=O)[C@H](N)CO)C[C@H](C)O1 ZINC001340155576 885795739 /nfs/dbraw/zinc/79/57/39/885795739.db2.gz RDLXTVVXXOAPHL-GARJFASQSA-N 0 3 259.350 -1.079 20 0 CAADHN C[C@H]1NCCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C ZINC001340280287 885797753 /nfs/dbraw/zinc/79/77/53/885797753.db2.gz BRSYMAISELOAPM-CSMHCCOUSA-N 0 3 254.290 -1.207 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@H]2CNCCO2)NCC1=O ZINC001340471146 885803772 /nfs/dbraw/zinc/80/37/72/885803772.db2.gz HOYCBIMGQJWGDZ-IUCAKERBSA-N 0 3 256.306 -2.479 20 0 CAADHN O=C1CCN(C[C@H](O)C[C@]2(O)CCOC2)CCN1 ZINC001340551338 885805003 /nfs/dbraw/zinc/80/50/03/885805003.db2.gz QWNMGOOTIGTRFO-ZYHUDNBSSA-N 0 3 258.318 -1.289 20 0 CAADHN O=C(CN1CCNC(=O)C1)N1CCOC2(CNC2)C1 ZINC001340675970 885810214 /nfs/dbraw/zinc/81/02/14/885810214.db2.gz HHASIWJRUVRQJJ-UHFFFAOYSA-N 0 3 268.317 -2.381 20 0 CAADHN CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CNCCN2C)C1=O ZINC001340767168 885812396 /nfs/dbraw/zinc/81/23/96/885812396.db2.gz LOULPMIEGKPFJP-VHSXEESVSA-N 0 3 282.344 -1.458 20 0 CAADHN O[C@H](COC1CCOCC1)CN1C[C@@H](O)[C@@H](O)C1 ZINC001340810074 885817260 /nfs/dbraw/zinc/81/72/60/885817260.db2.gz WZTIVGVVHZLCAQ-ZMLRMANQSA-N 0 3 261.318 -1.420 20 0 CAADHN CN1CCN(C)[C@H](CNC(=O)[C@@H](N)C(C)(C)O)C1 ZINC001341735050 885854659 /nfs/dbraw/zinc/85/46/59/885854659.db2.gz ZWEONAMNGHIOED-NXEZZACHSA-N 0 3 258.366 -1.553 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001341118290 885826965 /nfs/dbraw/zinc/82/69/65/885826965.db2.gz IXOJDZGZDALZPH-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN CC[C@@H](N)C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001341260473 885830018 /nfs/dbraw/zinc/83/00/18/885830018.db2.gz KVOMQHDGFKGECW-JGVFFNPUSA-N 0 3 262.335 -1.916 20 0 CAADHN O=C(c1cnncc1[O-])N1CCOC2(C[NH2+]C2)C1 ZINC001341435945 885838466 /nfs/dbraw/zinc/83/84/66/885838466.db2.gz ZWRSDHYRKFKFIP-UHFFFAOYSA-N 0 3 250.258 -1.003 20 0 CAADHN Cn1cc([C@@H](O)C(=O)N[C@@H]2COC3(CNC3)C2)cn1 ZINC001341370273 885838709 /nfs/dbraw/zinc/83/87/09/885838709.db2.gz WBLVMGFLPSLZQL-VHSXEESVSA-N 0 3 266.301 -1.299 20 0 CAADHN Cn1nnnc1CCCNC(=O)[C@@H]1CNCCN1C ZINC001341536358 885844933 /nfs/dbraw/zinc/84/49/33/885844933.db2.gz MEEKFVRBHMMNQM-VIFPVBQESA-N 0 3 267.337 -1.838 20 0 CAADHN CN1CCN(CCCNC(=O)[C@@H]2CN(C)C(=O)CN2)CC1 ZINC001341626942 885849336 /nfs/dbraw/zinc/84/93/36/885849336.db2.gz JIBZMWRYNBFINZ-LBPRGKRZSA-N 0 3 297.403 -1.830 20 0 CAADHN CN(C(=O)C1CNCCS1(=O)=O)c1cn[nH]c1 ZINC001341718050 885854535 /nfs/dbraw/zinc/85/45/35/885854535.db2.gz ZEBJWRHFAADFET-MRVPVSSYSA-N 0 3 258.303 -1.241 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN(C[C@H](O)CO)C1 ZINC001341786599 885857469 /nfs/dbraw/zinc/85/74/69/885857469.db2.gz VPHLCNUDOXDSKM-UWVGGRQHSA-N 0 3 266.363 -1.399 20 0 CAADHN COC(=O)C1(CNC(=O)[C@H]2CNCCN2C)CC1 ZINC001341830718 885857672 /nfs/dbraw/zinc/85/76/72/885857672.db2.gz IYKOEDMPDRNZFV-SECBINFHSA-N 0 3 255.318 -1.041 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC001341835368 885858552 /nfs/dbraw/zinc/85/85/52/885858552.db2.gz FVXXAMMPXMTZLA-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN O=C(C[C@H]1CCCS1(=O)=O)N1CCNCCNCC1 ZINC001341842070 885860203 /nfs/dbraw/zinc/86/02/03/885860203.db2.gz ZSHFRDIPBHWOME-LLVKDONJSA-N 0 3 289.401 -1.025 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@H]2COC3(CNC3)C2)C1=O ZINC001341976945 885864672 /nfs/dbraw/zinc/86/46/72/885864672.db2.gz XUXOYGCARWERBF-BDAKNGLRSA-N 0 3 269.301 -1.909 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CCNNCC2)CC1=O ZINC001342024725 885868300 /nfs/dbraw/zinc/86/83/00/885868300.db2.gz FDGUAACEILSXIS-NSHDSACASA-N 0 3 283.376 -1.667 20 0 CAADHN Cn1cc(C(=O)C(=O)N[C@@H]2COC3(CNC3)C2)cn1 ZINC001342125179 885871120 /nfs/dbraw/zinc/87/11/20/885871120.db2.gz GZMAKYKAMKUSPH-VIFPVBQESA-N 0 3 264.285 -1.150 20 0 CAADHN C[C@@H]([NH3+])CO[N-]C(=O)CC1(n2cnnn2)CCOCC1 ZINC001342077067 885872493 /nfs/dbraw/zinc/87/24/93/885872493.db2.gz MSSXWSVOCLAEKM-SECBINFHSA-N 0 3 284.320 -1.036 20 0 CAADHN Cn1cc(C(=O)C(=O)N[C@H]2COC3(CNC3)C2)cn1 ZINC001342125178 885873518 /nfs/dbraw/zinc/87/35/18/885873518.db2.gz GZMAKYKAMKUSPH-SECBINFHSA-N 0 3 264.285 -1.150 20 0 CAADHN O=C(CCN1C(=O)CCC1=O)N[C@H]1COC2(CNC2)C1 ZINC001342215739 885876742 /nfs/dbraw/zinc/87/67/42/885876742.db2.gz NQVWCEDDNAQWBF-SECBINFHSA-N 0 3 281.312 -1.227 20 0 CAADHN O=C([C@H]1CCCNC1=O)N1CCOC2(CNC2)C1 ZINC001342286834 885880997 /nfs/dbraw/zinc/88/09/97/885880997.db2.gz YGICPZXLEXUTMZ-VIFPVBQESA-N 0 3 253.302 -1.287 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCNC[C@@H]1CO ZINC001342357285 885884374 /nfs/dbraw/zinc/88/43/74/885884374.db2.gz LQEKWIBDYNJPLX-UTUOFQBUSA-N 0 3 268.361 -1.833 20 0 CAADHN CC[C@@H](CO)NCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001342405668 885887959 /nfs/dbraw/zinc/88/79/59/885887959.db2.gz JCCJSMBQVZWFGG-IUCAKERBSA-N 0 3 264.347 -1.350 20 0 CAADHN COCC[C@H](N)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC001342493103 885891683 /nfs/dbraw/zinc/89/16/83/885891683.db2.gz AFEVXNFBYGHIBS-QWRGUYRKSA-N 0 3 257.334 -1.107 20 0 CAADHN CCCS(=O)(=O)CC(=O)N1CCNCCNCC1 ZINC001342620706 885893252 /nfs/dbraw/zinc/89/32/52/885893252.db2.gz AZMQBLBPCDIUJH-UHFFFAOYSA-N 0 3 277.390 -1.167 20 0 CAADHN C[C@@H](NC1CC1)C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001342611212 885893333 /nfs/dbraw/zinc/89/33/33/885893333.db2.gz KYJUKCJAUQMIQS-VXNVDRBHSA-N 0 3 264.347 -1.351 20 0 CAADHN CC[C@H](N)C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001342773770 885897208 /nfs/dbraw/zinc/89/72/08/885897208.db2.gz KVOMQHDGFKGECW-SFYZADRCSA-N 0 3 262.335 -1.916 20 0 CAADHN COCCNCC(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC001342870141 885901666 /nfs/dbraw/zinc/90/16/66/885901666.db2.gz VCCNGFFYFJLMET-SNVBAGLBSA-N 0 3 294.373 -1.506 20 0 CAADHN O=C1CNC(=O)N1CCCN1CC[C@@H](CO)[C@H](O)C1 ZINC001342948088 885903186 /nfs/dbraw/zinc/90/31/86/885903186.db2.gz RUQVMJWNIAZLNP-VHSXEESVSA-N 0 3 271.317 -1.397 20 0 CAADHN CCN(CCC(=O)NC)C(=O)[C@H]1CNCCN1C ZINC001343011340 885905007 /nfs/dbraw/zinc/90/50/07/885905007.db2.gz WJSBNLYZGRFTCK-SNVBAGLBSA-N 0 3 256.350 -1.125 20 0 CAADHN CC[C@@H](N)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001342989970 885905323 /nfs/dbraw/zinc/90/53/23/885905323.db2.gz NOSKTHTZHIKFNJ-DTWKUNHWSA-N 0 3 264.347 -1.004 20 0 CAADHN CCN(CCC(=O)NC)C(=O)[C@@H]1CNCCN1C ZINC001343011339 885905682 /nfs/dbraw/zinc/90/56/82/885905682.db2.gz WJSBNLYZGRFTCK-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN Cn1cc(CN2C[C@@H]3C[C@]3(CO)C2)c(=O)n(C)c1=O ZINC001343301095 885911773 /nfs/dbraw/zinc/91/17/73/885911773.db2.gz SESNIFOFLXAHNX-GXFFZTMASA-N 0 3 265.313 -1.102 20 0 CAADHN Cn1cnc(C(=O)N[C@H]2COC3(CNC3)C2)cc1=O ZINC001343820869 885927190 /nfs/dbraw/zinc/92/71/90/885927190.db2.gz QIOLQIJEOMFHLA-MRVPVSSYSA-N 0 3 264.285 -1.359 20 0 CAADHN Cn1nc(C(=O)N[C@@H]2COC3(CNC3)C2)ccc1=O ZINC001343999824 885929298 /nfs/dbraw/zinc/92/92/98/885929298.db2.gz LUTWWBWPYYVLFU-QMMMGPOBSA-N 0 3 264.285 -1.359 20 0 CAADHN CN1N=C(C(=O)N[C@H]2COC3(CNC3)C2)CCC1=O ZINC001344012646 885930003 /nfs/dbraw/zinc/93/00/03/885930003.db2.gz XBAQJBQRZCIIBR-MRVPVSSYSA-N 0 3 266.301 -1.158 20 0 CAADHN Cc1c(C(=O)N[C@@H]2COC3(CNC3)C2)nnn1C ZINC001344000565 885930147 /nfs/dbraw/zinc/93/01/47/885930147.db2.gz UAGBRKMYJXGQJJ-QMMMGPOBSA-N 0 3 251.290 -1.016 20 0 CAADHN CN1N=C(C(=O)N[C@@H]2COC3(CNC3)C2)CCC1=O ZINC001344012648 885931055 /nfs/dbraw/zinc/93/10/55/885931055.db2.gz XBAQJBQRZCIIBR-QMMMGPOBSA-N 0 3 266.301 -1.158 20 0 CAADHN O=C1NC(=O)[C@@]2(CCCN(CCN3CCOCC3)C2)N1 ZINC001344070212 885933014 /nfs/dbraw/zinc/93/30/14/885933014.db2.gz XQMLOLIVFBKJCK-ZDUSSCGKSA-N 0 3 282.344 -1.007 20 0 CAADHN O=C1NC(=O)[C@]2(CCCN(CCN3CCOCC3)C2)N1 ZINC001344070211 885933499 /nfs/dbraw/zinc/93/34/99/885933499.db2.gz XQMLOLIVFBKJCK-CYBMUJFWSA-N 0 3 282.344 -1.007 20 0 CAADHN CC[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)C(N)=O)N(C)C ZINC001344182722 885937903 /nfs/dbraw/zinc/93/79/03/885937903.db2.gz QCVRUKRCSMHWFE-NXEZZACHSA-N 0 3 284.360 -1.129 20 0 CAADHN NCc1cc(C(=O)N2CCNC[C@@H]2CO)ccn1 ZINC001344517259 885945152 /nfs/dbraw/zinc/94/51/52/885945152.db2.gz JZBRGJGHDVDTDY-LLVKDONJSA-N 0 3 250.302 -1.053 20 0 CAADHN CNC(=O)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001345145560 885956745 /nfs/dbraw/zinc/95/67/45/885956745.db2.gz CXLHQEGBZVSIOQ-JTQLQIEISA-N 0 3 282.344 -1.327 20 0 CAADHN Cn1nccc1[C@H](O)CNC(=O)C[C@@H]1CNCCO1 ZINC001345233749 885958644 /nfs/dbraw/zinc/95/86/44/885958644.db2.gz ZXJAWXXZSQRLTD-MWLCHTKSSA-N 0 3 268.317 -1.052 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC[C@H](O)C[C@@]1(O)CCOC1 ZINC001345195006 885959377 /nfs/dbraw/zinc/95/93/77/885959377.db2.gz HGMMVDYKLBNWON-FOGDFJRCSA-N 0 3 276.333 -1.113 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)C1(O)CCOCC1 ZINC001345196923 885960326 /nfs/dbraw/zinc/96/03/26/885960326.db2.gz XYCKZQFKXXDFEB-SNVBAGLBSA-N 0 3 260.334 -1.043 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)C1(O)CCOCC1 ZINC001345196918 885960426 /nfs/dbraw/zinc/96/04/26/885960426.db2.gz XYCKZQFKXXDFEB-JTQLQIEISA-N 0 3 260.334 -1.043 20 0 CAADHN CC[C@H](N)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001345392011 885963511 /nfs/dbraw/zinc/96/35/11/885963511.db2.gz NOSKTHTZHIKFNJ-IUCAKERBSA-N 0 3 264.347 -1.004 20 0 CAADHN Cn1cc(NC(=O)C(=O)N2CCNCCNCC2)cn1 ZINC001345634341 885966779 /nfs/dbraw/zinc/96/67/79/885966779.db2.gz JDCYBZVKYXDDRT-UHFFFAOYSA-N 0 3 280.332 -1.620 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001345612972 885966917 /nfs/dbraw/zinc/96/69/17/885966917.db2.gz QOZIOTOQLLEPSW-SNVBAGLBSA-N 0 3 295.343 -1.641 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCCCn1ccc(=O)[nH]c1=O ZINC001345612971 885967456 /nfs/dbraw/zinc/96/74/56/885967456.db2.gz QOZIOTOQLLEPSW-JTQLQIEISA-N 0 3 295.343 -1.641 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)C[C@H]2CNCCO2)CCO1 ZINC001345762411 885968811 /nfs/dbraw/zinc/96/88/11/885968811.db2.gz JEWSUOVHAGPROB-IUCAKERBSA-N 0 3 257.290 -1.922 20 0 CAADHN NCC(=O)NCC(=O)N1CCNC[C@H]1C(F)F ZINC001346046297 885981575 /nfs/dbraw/zinc/98/15/75/885981575.db2.gz HKKHXCFZBHVGQJ-LURJTMIESA-N 0 3 250.249 -1.873 20 0 CAADHN NCC(=O)NCC(=O)N1CCNC[C@@H]1C(F)F ZINC001346046299 885983069 /nfs/dbraw/zinc/98/30/69/885983069.db2.gz HKKHXCFZBHVGQJ-ZCFIWIBFSA-N 0 3 250.249 -1.873 20 0 CAADHN COC[C@@H]1C[C@@H](O)CN1CCCS(N)(=O)=O ZINC001346126082 885986379 /nfs/dbraw/zinc/98/63/79/885986379.db2.gz IIMGBPWPZVDKAA-DTWKUNHWSA-N 0 3 252.336 -1.253 20 0 CAADHN O=S1(=O)CCCN1CCNC[C@H](O)C1(O)CCC1 ZINC001346205301 885992135 /nfs/dbraw/zinc/99/21/35/885992135.db2.gz ZYORDOAMYWEBEL-JTQLQIEISA-N 0 3 278.374 -1.113 20 0 CAADHN O=S1(=O)CCCN1CCNC[C@@H](O)C1(O)CCC1 ZINC001346205305 885992694 /nfs/dbraw/zinc/99/26/94/885992694.db2.gz ZYORDOAMYWEBEL-SNVBAGLBSA-N 0 3 278.374 -1.113 20 0 CAADHN CON(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001346238614 885996021 /nfs/dbraw/zinc/99/60/21/885996021.db2.gz DEWKSRQUAINSHJ-UHFFFAOYSA-N 0 3 286.332 -1.761 20 0 CAADHN CN(CCNC(=O)C(=O)NCc1cn(C)nn1)C1CC1 ZINC001346322162 886001787 /nfs/dbraw/zinc/00/17/87/886001787.db2.gz XBZNNAVQSWFQPA-UHFFFAOYSA-N 0 3 280.332 -1.358 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H](CO)CN1CCCCC1 ZINC001347055676 886023271 /nfs/dbraw/zinc/02/32/71/886023271.db2.gz MLMUBUSIMYSQBV-SNVBAGLBSA-N 0 3 268.321 -1.364 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC001347073190 886025708 /nfs/dbraw/zinc/02/57/08/886025708.db2.gz HSNJFAJJEZTXAJ-MXWKQRLJSA-N 0 3 267.329 -1.041 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cnn(CCO)c1 ZINC001347065437 886025859 /nfs/dbraw/zinc/02/58/59/886025859.db2.gz GHWQZAZAEBMXNE-SNVBAGLBSA-N 0 3 256.306 -1.472 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N(CCN)CCO)S(C)(=O)=O ZINC001347092390 886026699 /nfs/dbraw/zinc/02/66/99/886026699.db2.gz XRFSJKNXMVWODH-QMMMGPOBSA-N 0 3 295.361 -2.685 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001347177502 886032505 /nfs/dbraw/zinc/03/25/05/886032505.db2.gz FGSZNAIVBVXNJG-UWVGGRQHSA-N 0 3 255.318 -1.034 20 0 CAADHN O=C(N[C@H]1CCNC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001347387627 886035779 /nfs/dbraw/zinc/03/57/79/886035779.db2.gz UVIYOENHJPYZEZ-AEJSXWLSSA-N 0 3 268.317 -1.665 20 0 CAADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC001347392985 886036448 /nfs/dbraw/zinc/03/64/48/886036448.db2.gz ZMLGCRSPRGGQGR-QWRGUYRKSA-N 0 3 294.355 -1.184 20 0 CAADHN CC1(C)OCC(CO)(NCCCS(N)(=O)=O)CO1 ZINC001347448214 886039854 /nfs/dbraw/zinc/03/98/54/886039854.db2.gz XELCDAWGFOLXMM-UHFFFAOYSA-N 0 3 282.362 -1.231 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ncn(C)n3)[C@@H]2C1 ZINC001347679009 886049236 /nfs/dbraw/zinc/04/92/36/886049236.db2.gz VGGKGYFCQNETBC-DTWKUNHWSA-N 0 3 278.316 -1.084 20 0 CAADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ncn(C)n3)[C@H]2C1 ZINC001347679008 886049601 /nfs/dbraw/zinc/04/96/01/886049601.db2.gz VGGKGYFCQNETBC-BDAKNGLRSA-N 0 3 278.316 -1.084 20 0 CAADHN CC(C)N(C)CC(=O)N1CCN(C(=O)CC(N)=O)CC1 ZINC001348196655 886065874 /nfs/dbraw/zinc/06/58/74/886065874.db2.gz FCNPJDUMXXPALH-UHFFFAOYSA-N 0 3 284.360 -1.127 20 0 CAADHN O=C(NCCCn1cncn1)C(=O)NC[C@H]1CNCCO1 ZINC001348331965 886073087 /nfs/dbraw/zinc/07/30/87/886073087.db2.gz CNEJKEUJDNRDPV-SNVBAGLBSA-N 0 3 296.331 -2.111 20 0 CAADHN CC(=O)NCC(=O)NCCNC(=O)C1(N(C)C)CCC1 ZINC001348347069 886075936 /nfs/dbraw/zinc/07/59/36/886075936.db2.gz IATLUQASZFTJBP-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN O=C(CN1[C@@H]2CC[C@H]1CNC(=O)C2)N1CCNCC1 ZINC001348423662 886082391 /nfs/dbraw/zinc/08/23/91/886082391.db2.gz USQTZVZGMLSKDM-MNOVXSKESA-N 0 3 266.345 -1.229 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@H]1COCCO1)N(C)C ZINC001348515169 886087984 /nfs/dbraw/zinc/08/79/84/886087984.db2.gz NXGOJBPYDSPOBM-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@@H]1COCCO1 ZINC001348515171 886089187 /nfs/dbraw/zinc/08/91/87/886089187.db2.gz OAPKHMNXGZUPFO-NSHDSACASA-N 0 3 296.327 -1.092 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)CC(N)=O)N(C)C ZINC001348681214 886098520 /nfs/dbraw/zinc/09/85/20/886098520.db2.gz VEEZQMKSUSEDSU-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NC[C@@H]1CN(C)CCN1C ZINC001348833185 886102754 /nfs/dbraw/zinc/10/27/54/886102754.db2.gz YPNDEAVEZIXOPI-MGPQQGTHSA-N 0 3 295.431 -1.263 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)NC[C@H]1CN(C)CCN1C ZINC001348833188 886103086 /nfs/dbraw/zinc/10/30/86/886103086.db2.gz YPNDEAVEZIXOPI-RDBSUJKOSA-N 0 3 295.431 -1.263 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NC[C@H]1CN(C)CCN1C ZINC001348833058 886103521 /nfs/dbraw/zinc/10/35/21/886103521.db2.gz YPNDEAVEZIXOPI-HZSPNIEDSA-N 0 3 295.431 -1.263 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)C1(NC(N)=O)CC1)N(C)C ZINC001348819264 886103958 /nfs/dbraw/zinc/10/39/58/886103958.db2.gz LRNLKJIEXDTIEF-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)CCNC(N)=O)N(C)C ZINC001348938562 886106670 /nfs/dbraw/zinc/10/66/70/886106670.db2.gz DJFNQSSAYUIBKB-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001348886576 886106811 /nfs/dbraw/zinc/10/68/11/886106811.db2.gz HICSUPSWYPIOHM-VIFPVBQESA-N 0 3 295.299 -1.399 20 0 CAADHN CNS(=O)(=O)CCNC[C@H](O)Cn1cccn1 ZINC001348973523 886109542 /nfs/dbraw/zinc/10/95/42/886109542.db2.gz UAGDMVOBPXJDJY-VIFPVBQESA-N 0 3 262.335 -1.617 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001349049372 886112839 /nfs/dbraw/zinc/11/28/39/886112839.db2.gz GWHYGUXZHPJQMR-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CS(=O)(=O)CCOCCNC(=O)CNC1CC1 ZINC001349092523 886112871 /nfs/dbraw/zinc/11/28/71/886112871.db2.gz CKZXNKXEDNABKP-UHFFFAOYSA-N 0 3 264.347 -1.084 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CNCCO2)c(=O)[nH]c1=O ZINC001349092329 886113225 /nfs/dbraw/zinc/11/32/25/886113225.db2.gz APFFOYZZKMKLED-ZETCQYMHSA-N 0 3 268.273 -1.796 20 0 CAADHN CC(C)[C@H](C(=O)NCCNC(=O)Cn1ncnn1)N(C)C ZINC001349063966 886113339 /nfs/dbraw/zinc/11/33/39/886113339.db2.gz FZFJFEIENYNMJR-LLVKDONJSA-N 0 3 297.363 -1.508 20 0 CAADHN Cc1nccn1CCCNC(=O)CNC(=O)CN ZINC001349081983 886113410 /nfs/dbraw/zinc/11/34/10/886113410.db2.gz NADAYYWHDKOBDX-UHFFFAOYSA-N 0 3 253.306 -1.227 20 0 CAADHN CC(C)[C@@H](C(=O)NCCNC(=O)Cn1ncnn1)N(C)C ZINC001349063980 886113501 /nfs/dbraw/zinc/11/35/01/886113501.db2.gz FZFJFEIENYNMJR-NSHDSACASA-N 0 3 297.363 -1.508 20 0 CAADHN NS(=O)(=O)CCNC(=O)CNC[C@H]1CCCO1 ZINC001349131730 886115611 /nfs/dbraw/zinc/11/56/11/886115611.db2.gz NYUSGSLEDJTMQF-MRVPVSSYSA-N 0 3 265.335 -1.840 20 0 CAADHN CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001349173486 886115989 /nfs/dbraw/zinc/11/59/89/886115989.db2.gz GMOSIENIXRXRDF-SECBINFHSA-N 0 3 285.348 -1.760 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)CNC(=O)NC)N(C)C ZINC001349172315 886116282 /nfs/dbraw/zinc/11/62/82/886116282.db2.gz MMPCVLCSVRKRJI-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)CCn1cnnn1)N(C)C ZINC001349248158 886118839 /nfs/dbraw/zinc/11/88/39/886118839.db2.gz NBRCMIZAEPMYFF-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCCc1ncn(C)n1 ZINC001349268894 886119571 /nfs/dbraw/zinc/11/95/71/886119571.db2.gz FYLAJNUMDZWHDZ-UHFFFAOYSA-N 0 3 296.375 -1.116 20 0 CAADHN CS(=O)(=O)CCNC(=O)CNC[C@H]1CCCO1 ZINC001349398651 886124707 /nfs/dbraw/zinc/12/47/07/886124707.db2.gz OMIDNCBTZWDVSR-SECBINFHSA-N 0 3 264.347 -1.084 20 0 CAADHN CC1(C)CNCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001349362472 886125303 /nfs/dbraw/zinc/12/53/03/886125303.db2.gz MAVQRFWTBXTEIW-UHFFFAOYSA-N 0 3 266.305 -1.413 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001349381097 886126051 /nfs/dbraw/zinc/12/60/51/886126051.db2.gz BKCSKVWTOLSWBF-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)CCn1cnnn1)N(C)C ZINC001349383131 886126385 /nfs/dbraw/zinc/12/63/85/886126385.db2.gz NBRCMIZAEPMYFF-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001349381077 886126455 /nfs/dbraw/zinc/12/64/55/886126455.db2.gz BKCSKVWTOLSWBF-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCN1C(=O)CNC1=O ZINC001349410534 886129518 /nfs/dbraw/zinc/12/95/18/886129518.db2.gz WHGUXQLFNBTIJD-JTQLQIEISA-N 0 3 299.331 -2.246 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCCNC(=O)C2)C1 ZINC001349438929 886129654 /nfs/dbraw/zinc/12/96/54/886129654.db2.gz ILLDXNLMHHVTMM-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001349545716 886134983 /nfs/dbraw/zinc/13/49/83/886134983.db2.gz SHEFIHLAQSYXDJ-MRVPVSSYSA-N 0 3 266.305 -1.413 20 0 CAADHN CN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001349545717 886135482 /nfs/dbraw/zinc/13/54/82/886135482.db2.gz SHEFIHLAQSYXDJ-QMMMGPOBSA-N 0 3 266.305 -1.413 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001349586367 886138702 /nfs/dbraw/zinc/13/87/02/886138702.db2.gz HKRAVYHVIVXTMV-AXFHLTTASA-N 0 3 258.318 -1.291 20 0 CAADHN CN1C(=O)CN(CC(=O)NC[C@H]2CNCCO2)C1=O ZINC001349608228 886138973 /nfs/dbraw/zinc/13/89/73/886138973.db2.gz JETILOZUIGHGKT-MRVPVSSYSA-N 0 3 270.289 -2.015 20 0 CAADHN CN1C(=O)CN(CC(=O)NC[C@@H]2CNCCO2)C1=O ZINC001349608235 886138995 /nfs/dbraw/zinc/13/89/95/886138995.db2.gz JETILOZUIGHGKT-QMMMGPOBSA-N 0 3 270.289 -2.015 20 0 CAADHN Cn1cc(CNC(=O)[C@H]2CN3CCN2CCC3)nn1 ZINC001349651865 886141550 /nfs/dbraw/zinc/14/15/50/886141550.db2.gz ZSVPVAQCFQQKQK-LLVKDONJSA-N 0 3 264.333 -1.179 20 0 CAADHN Cn1cc(CNC(=O)[C@@H]2CN3CCN2CCC3)nn1 ZINC001349651866 886141654 /nfs/dbraw/zinc/14/16/54/886141654.db2.gz ZSVPVAQCFQQKQK-NSHDSACASA-N 0 3 264.333 -1.179 20 0 CAADHN CN1C[C@H](CN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)OC1=O ZINC001349689780 886144983 /nfs/dbraw/zinc/14/49/83/886144983.db2.gz RJJXBJQZHHSDMP-HLTSFMKQSA-N 0 3 267.285 -1.016 20 0 CAADHN NC(=O)NC1(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC001349822494 886149949 /nfs/dbraw/zinc/14/99/49/886149949.db2.gz BDGVYIKNZYSBCV-DTWKUNHWSA-N 0 3 268.317 -1.535 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC001350046449 886156803 /nfs/dbraw/zinc/15/68/03/886156803.db2.gz ONPAAERHDYBFOS-OUAUKWLOSA-N 0 3 283.328 -1.804 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cn(C)nn1 ZINC001350098897 886160033 /nfs/dbraw/zinc/16/00/33/886160033.db2.gz AGXMEZAOWRUHNO-UHFFFAOYSA-N 0 3 298.347 -1.210 20 0 CAADHN CC[C@H](C(=O)NCCCNC(=O)Cn1ncnn1)N(C)C ZINC001350089205 886160998 /nfs/dbraw/zinc/16/09/98/886160998.db2.gz FOUZOHWTSLJBKK-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CCC(O)(COCCO)CC1 ZINC001350085953 886161533 /nfs/dbraw/zinc/16/15/33/886161533.db2.gz OFKRNWIVMDQBTJ-LBPRGKRZSA-N 0 3 291.344 -1.254 20 0 CAADHN CO[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001350345723 886167145 /nfs/dbraw/zinc/16/71/45/886167145.db2.gz YNTYSYQDFNCUDX-IUCAKERBSA-N 0 3 259.306 -1.758 20 0 CAADHN C[C@H](CNC(=O)C1(O)CNC1)N1CCN(C)CC1 ZINC001350405023 886171352 /nfs/dbraw/zinc/17/13/52/886171352.db2.gz HDPSTRQXVSTVKI-SNVBAGLBSA-N 0 3 256.350 -1.927 20 0 CAADHN COCCNCC(=O)NCc1nc(C(N)=O)co1 ZINC001350404653 886171988 /nfs/dbraw/zinc/17/19/88/886171988.db2.gz BSSPKGIPDVOVRM-UHFFFAOYSA-N 0 3 256.262 -1.374 20 0 CAADHN C[C@H](CNC(=O)C1=NO[C@@H](CN)C1)S(C)(=O)=O ZINC001350420091 886174190 /nfs/dbraw/zinc/17/41/90/886174190.db2.gz WKKYTABAGBVCQM-RNFRBKRXSA-N 0 3 263.319 -1.361 20 0 CAADHN CN1CCN(CCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001350532098 886174945 /nfs/dbraw/zinc/17/49/45/886174945.db2.gz YURHQGMGLYKXGM-JTQLQIEISA-N 0 3 297.359 -1.662 20 0 CAADHN CN1CC(=O)N(CC(=O)N2CCOC3(CNC3)C2)C1=O ZINC001350516937 886175198 /nfs/dbraw/zinc/17/51/98/886175198.db2.gz SPBLPQQUGHNMBX-UHFFFAOYSA-N 0 3 282.300 -1.919 20 0 CAADHN CC[C@H](C(=O)N1CC[C@@H](NC(=O)CC(N)=O)C1)N(C)C ZINC001350548941 886178509 /nfs/dbraw/zinc/17/85/09/886178509.db2.gz AREPFPSSMMRVEJ-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN NC(=O)CCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001350730833 886184023 /nfs/dbraw/zinc/18/40/23/886184023.db2.gz JCXBIAGWBMFPAK-ZJUUUORDSA-N 0 3 255.318 -1.081 20 0 CAADHN C[C@H](NC(=O)C(=O)N[C@H]1CCNC1=O)C1=CCN(C)CC1 ZINC001350833302 886186257 /nfs/dbraw/zinc/18/62/57/886186257.db2.gz IIOOTDFDGCYBER-ONGXEEELSA-N 0 3 294.355 -1.242 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H](O)c1cnn(C)c1 ZINC001350931306 886188960 /nfs/dbraw/zinc/18/89/60/886188960.db2.gz KVPKNUDQKUQCOY-JTQLQIEISA-N 0 3 256.306 -1.506 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCC[C@H](CO)C1 ZINC001350964124 886190481 /nfs/dbraw/zinc/19/04/81/886190481.db2.gz HBAWKJFLVVPOBD-LBPRGKRZSA-N 0 3 298.387 -1.761 20 0 CAADHN CO[C@@H]1CCCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001350964089 886191009 /nfs/dbraw/zinc/19/10/09/886191009.db2.gz GLKMCDFAAAQRIZ-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CCCN(C)CC(=O)NCCCN(C)C(=O)C(N)=O ZINC001351779464 886228414 /nfs/dbraw/zinc/22/84/14/886228414.db2.gz WRUZWZLFQKETKK-UHFFFAOYSA-N 0 3 272.349 -1.222 20 0 CAADHN CC(C)N(C)CC(=O)N(C)CCCNC(=O)C(N)=O ZINC001351873680 886233731 /nfs/dbraw/zinc/23/37/31/886233731.db2.gz TZESVOWIXHNNLQ-UHFFFAOYSA-N 0 3 272.349 -1.223 20 0 CAADHN CC(C)(O)C[C@@H](O)CNCCNS(C)(=O)=O ZINC001352095340 886238587 /nfs/dbraw/zinc/23/85/87/886238587.db2.gz XNXWGEUHEPPDLW-MRVPVSSYSA-N 0 3 254.352 -1.353 20 0 CAADHN CC(C)(O)C[C@H](O)CNCCNS(C)(=O)=O ZINC001352095341 886240230 /nfs/dbraw/zinc/24/02/30/886240230.db2.gz XNXWGEUHEPPDLW-QMMMGPOBSA-N 0 3 254.352 -1.353 20 0 CAADHN C[C@H](NC[C@@H](O)C[C@]1(O)CCOC1)C(=O)N(C)C ZINC001352803469 886246185 /nfs/dbraw/zinc/24/61/85/886246185.db2.gz OFIDTSSJOBRVAO-JBLDHEPKSA-N 0 3 260.334 -1.045 20 0 CAADHN C[C@H](NC[C@@H](O)C[C@@]1(O)CCOC1)C(=O)N(C)C ZINC001352803470 886246359 /nfs/dbraw/zinc/24/63/59/886246359.db2.gz OFIDTSSJOBRVAO-NHCYSSNCSA-N 0 3 260.334 -1.045 20 0 CAADHN CC(C)OC[C@@H](O)CNC[C@@H](O)CS(C)(=O)=O ZINC001352818782 886248862 /nfs/dbraw/zinc/24/88/62/886248862.db2.gz WPEQLAMPHJHCIE-VHSXEESVSA-N 0 3 269.363 -1.233 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C1)N(C)C ZINC001352897665 886251037 /nfs/dbraw/zinc/25/10/37/886251037.db2.gz MADHRCSKIJENNU-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN O[C@@H]1CCN(C/C=C/CN2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001352925481 886251522 /nfs/dbraw/zinc/25/15/22/886251522.db2.gz MRDIWEDKHWXNEK-LLKIENLASA-N 0 3 286.372 -1.602 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H]2CNCCO2)cc1=O ZINC001352849866 886252314 /nfs/dbraw/zinc/25/23/14/886252314.db2.gz RIHASPLQMSASIW-QMMMGPOBSA-N 0 3 252.274 -1.502 20 0 CAADHN CCN(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001352935088 886255430 /nfs/dbraw/zinc/25/54/30/886255430.db2.gz ZXWLSQSBSGYARO-SECBINFHSA-N 0 3 284.360 -1.081 20 0 CAADHN O=C(NCc1ccccn1)C(=O)N1CCNCCNCC1 ZINC001353141506 886262115 /nfs/dbraw/zinc/26/21/15/886262115.db2.gz ILPUWJRUNOMCHR-UHFFFAOYSA-N 0 3 291.355 -1.281 20 0 CAADHN O=C(NC/C=C\Cl)C(=O)NC[C@H]1CNCCO1 ZINC001353148735 886264915 /nfs/dbraw/zinc/26/49/15/886264915.db2.gz HTKJYMMWFWXIOI-SLYZXXNYSA-N 0 3 261.709 -1.040 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)[C@@H](C)O1 ZINC001353311159 886275368 /nfs/dbraw/zinc/27/53/68/886275368.db2.gz RNKCSMOELDBTOW-ZNSHCXBVSA-N 0 3 285.344 -1.227 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)[C@@H](C)O1 ZINC001353311147 886276532 /nfs/dbraw/zinc/27/65/32/886276532.db2.gz RNKCSMOELDBTOW-DBIOUOCHSA-N 0 3 285.344 -1.227 20 0 CAADHN CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)CC(N)=O)C1)N(C)C ZINC001353744331 886287525 /nfs/dbraw/zinc/28/75/25/886287525.db2.gz MPQDBLCHJCNUJN-AEJSXWLSSA-N 0 3 284.360 -1.035 20 0 CAADHN Cn1cc([C@H](O)C(=O)NC[C@@H]2CNCCO2)cn1 ZINC001353883250 886291951 /nfs/dbraw/zinc/29/19/51/886291951.db2.gz WJKDQKRAUVXHRU-UWVGGRQHSA-N 0 3 254.290 -1.442 20 0 CAADHN CN(CCNC(=O)C[C@@H]1CCNC1=O)CCOCCO ZINC001354172254 886301377 /nfs/dbraw/zinc/30/13/77/886301377.db2.gz YABKANPJAHFSPV-NSHDSACASA-N 0 3 287.360 -1.431 20 0 CAADHN CCN1C[C@H](CNC(=O)[C@@H]2CNCCN2C)CC1=O ZINC001354190199 886303065 /nfs/dbraw/zinc/30/30/65/886303065.db2.gz FOEDPENWWDZKQB-QWRGUYRKSA-N 0 3 268.361 -1.125 20 0 CAADHN O=C(CCn1cnnn1)N[C@H]1COC2(CNC2)C1 ZINC001354260084 886304812 /nfs/dbraw/zinc/30/48/12/886304812.db2.gz NYNILYPEJMKYHX-MRVPVSSYSA-N 0 3 252.278 -1.690 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC001354243013 886305900 /nfs/dbraw/zinc/30/59/00/886305900.db2.gz RNEWGLQKDSGNGR-TXEJJXNPSA-N 0 3 296.371 -1.602 20 0 CAADHN NS(=O)(=O)[C@@H]1CCN(CC2(O)CCOCC2)C1 ZINC001354350943 886308605 /nfs/dbraw/zinc/30/86/05/886308605.db2.gz LMXKTYXWLOXZEO-SECBINFHSA-N 0 3 264.347 -1.109 20 0 CAADHN COC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CNCCN2C)C1 ZINC001354331545 886309068 /nfs/dbraw/zinc/30/90/68/886309068.db2.gz YLGSMSFSWCLHJQ-GUBZILKMSA-N 0 3 255.318 -1.042 20 0 CAADHN CCn1nncc1CNC(=O)[C@@H]1CNCCN1C ZINC001354371168 886309967 /nfs/dbraw/zinc/30/99/67/886309967.db2.gz YTQMRLFJJFVBSE-JTQLQIEISA-N 0 3 252.322 -1.182 20 0 CAADHN CCCN(C)CC(=O)N[C@H](C)CNC(=O)CC(N)=O ZINC001354311476 886310350 /nfs/dbraw/zinc/31/03/50/886310350.db2.gz VEOOODZCDOOIAF-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)[C@H]3CNCCN3C)C[C@H]2C1=O ZINC001354524481 886315450 /nfs/dbraw/zinc/31/54/50/886315450.db2.gz XCMVBHFQHPJQRM-KXUCPTDWSA-N 0 3 280.328 -2.037 20 0 CAADHN O=C(c1[nH]nc2c1CNCC2)N1CCNC[C@H]1CO ZINC001354595832 886319689 /nfs/dbraw/zinc/31/96/89/886319689.db2.gz ZYALNMDOWBPVII-QMMMGPOBSA-N 0 3 265.317 -1.538 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)NC(=O)CN1CCC(C)(C)C1 ZINC001354686044 886322162 /nfs/dbraw/zinc/32/21/62/886322162.db2.gz QFGMMPSTFFCBTR-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CS(=O)(=O)N1CC(CN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC001354762890 886325025 /nfs/dbraw/zinc/32/50/25/886325025.db2.gz HDOOSKMAEAUSQA-DTORHVGOSA-N 0 3 287.341 -1.918 20 0 CAADHN CS(=O)(=O)N1CC(CN2C[C@@H](O)[C@H](CO)C2)C1 ZINC001354765187 886325331 /nfs/dbraw/zinc/32/53/31/886325331.db2.gz UOTABPHHHKJDRK-VHSXEESVSA-N 0 3 264.347 -1.837 20 0 CAADHN CS(=O)(=O)N1CC(CN2C[C@H](O)[C@H](CO)C2)C1 ZINC001354765185 886327463 /nfs/dbraw/zinc/32/74/63/886327463.db2.gz UOTABPHHHKJDRK-UWVGGRQHSA-N 0 3 264.347 -1.837 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCCON)CC1=O ZINC001355305515 886335954 /nfs/dbraw/zinc/33/59/54/886335954.db2.gz JJHFRZNTLPFBEU-SNVBAGLBSA-N 0 3 272.349 -1.207 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CNCCN1C)c1nnnn1C ZINC001355863201 886347666 /nfs/dbraw/zinc/34/76/66/886347666.db2.gz HNOFJKAHMDBFGQ-HTQZYQBOSA-N 0 3 253.310 -1.709 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)CC(N)=O)C1 ZINC001355915764 886352030 /nfs/dbraw/zinc/35/20/30/886352030.db2.gz NNOIITXIZJLDQA-SNVBAGLBSA-N 0 3 284.360 -1.222 20 0 CAADHN COC(=O)[C@H]1CN(C[C@@H](O)CO)C[C@@H]1C(=O)OC ZINC001356060897 886353910 /nfs/dbraw/zinc/35/39/10/886353910.db2.gz ACNYYEZZKZZNCO-VGMNWLOBSA-N 0 3 261.274 -1.766 20 0 CAADHN COC(=O)[C@@H]1CN(C[C@@H](O)CO)C[C@H]1C(=O)OC ZINC001356060896 886354171 /nfs/dbraw/zinc/35/41/71/886354171.db2.gz ACNYYEZZKZZNCO-IWSPIJDZSA-N 0 3 261.274 -1.766 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCCNCC2)CCO1 ZINC001356439635 886365728 /nfs/dbraw/zinc/36/57/28/886365728.db2.gz KJRWSEZLPPYKKD-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN CO[C@@H](C)CNC(=O)C(=O)N1CCNCCNCC1 ZINC001356463800 886366646 /nfs/dbraw/zinc/36/66/46/886366646.db2.gz VSSNDBCEFCDGNF-JTQLQIEISA-N 0 3 272.349 -1.841 20 0 CAADHN O=C(NCC1CCC1)C(=O)N1CCNCCNCC1 ZINC001356437187 886366959 /nfs/dbraw/zinc/36/69/59/886366959.db2.gz KHDIQZFXJMJPIP-UHFFFAOYSA-N 0 3 268.361 -1.076 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001356464728 886367230 /nfs/dbraw/zinc/36/72/30/886367230.db2.gz ZQDWUUQZLXJVEN-IWTNGPMKSA-N 0 3 295.339 -1.617 20 0 CAADHN CNC(=O)CNC[C@H](O)CN1C(=O)c2ccccc2C1=O ZINC001356545308 886369272 /nfs/dbraw/zinc/36/92/72/886369272.db2.gz TWTWNHFKYDCDLN-VIFPVBQESA-N 0 3 291.307 -1.021 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(CNC(=O)CC(N)=O)C1 ZINC001356804980 886385528 /nfs/dbraw/zinc/38/55/28/886385528.db2.gz MXXZAUGCTDWBNZ-JTQLQIEISA-N 0 3 282.344 -1.469 20 0 CAADHN CC[C@H](C(=O)N[C@@H](CC)CNC(=O)C(N)=O)N(C)C ZINC001356918559 886390020 /nfs/dbraw/zinc/39/00/20/886390020.db2.gz FSHBKVZCVKHTCQ-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](C(=O)NC[C@H]1CCCN1C(=O)C(N)=O)N(C)C ZINC001356998707 886393108 /nfs/dbraw/zinc/39/31/08/886393108.db2.gz HDFNDAITJYJOBS-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](CNC(=O)CN1CCC[C@@H]1C)CNC(=O)C(N)=O ZINC001357034632 886393513 /nfs/dbraw/zinc/39/35/13/886393513.db2.gz QUVYMHJWVZWZCQ-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@@H](C)CNC(=O)C(N)=O ZINC001357033805 886394038 /nfs/dbraw/zinc/39/40/38/886394038.db2.gz ZYMBCZIYHYMVNY-SSDOTTSWSA-N 0 3 281.316 -1.386 20 0 CAADHN COCCOC[C@@H](O)CNCC(=O)N1CCCO1 ZINC001357243275 886395541 /nfs/dbraw/zinc/39/55/41/886395541.db2.gz UJXXBNAPICJNAR-JTQLQIEISA-N 0 3 262.306 -1.236 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCCCN1CCOC1=O ZINC001357244018 886397290 /nfs/dbraw/zinc/39/72/90/886397290.db2.gz SOQADSUEAYXEQQ-JTQLQIEISA-N 0 3 270.333 -1.152 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC001357349951 886399695 /nfs/dbraw/zinc/39/96/95/886399695.db2.gz CACVLSISDZVEIE-LBPRGKRZSA-N 0 3 291.355 -1.169 20 0 CAADHN CC(=O)NC[C@@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001357361861 886400699 /nfs/dbraw/zinc/40/06/99/886400699.db2.gz OTCBMSNKVYYWMG-SECBINFHSA-N 0 3 254.290 -1.126 20 0 CAADHN CC(C)CN1CCO[C@H](CNC(=O)[C@H](N)CO)C1 ZINC001357336828 886400851 /nfs/dbraw/zinc/40/08/51/886400851.db2.gz FGIIIJFNXHFHIS-GHMZBOCLSA-N 0 3 259.350 -1.221 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCCNC(=O)c1cccnc1 ZINC001357349950 886401221 /nfs/dbraw/zinc/40/12/21/886401221.db2.gz CACVLSISDZVEIE-GFCCVEGCSA-N 0 3 291.355 -1.169 20 0 CAADHN N[C@H](CO)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC001357396614 886406202 /nfs/dbraw/zinc/40/62/02/886406202.db2.gz LIRAUPQZVVZUMH-OUAUKWLOSA-N 0 3 257.334 -1.636 20 0 CAADHN COCC(C)(C)N1CCN(C(=O)[C@H](N)CO)CC1 ZINC001357656150 886411520 /nfs/dbraw/zinc/41/15/20/886411520.db2.gz ZEZIMKSWJBFNJP-SNVBAGLBSA-N 0 3 259.350 -1.125 20 0 CAADHN C[C@H]1CCN(CC(=O)NC/C=C/CNC(=O)CC(N)=O)C1 ZINC001357685392 886412158 /nfs/dbraw/zinc/41/21/58/886412158.db2.gz KZWIOSOMZBTUAX-VUDBWIFFSA-N 0 3 296.371 -1.008 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)CC(N)=O ZINC001357684390 886412366 /nfs/dbraw/zinc/41/23/66/886412366.db2.gz CTMZZBYPQFMSSA-VMZHVLLKSA-N 0 3 282.344 -1.255 20 0 CAADHN O=C(CN1CCOCC1)N[C@@H]1COC2(CNC2)C1 ZINC001357846002 886415692 /nfs/dbraw/zinc/41/56/92/886415692.db2.gz JQIAJQVZJIBGBS-JTQLQIEISA-N 0 3 255.318 -1.434 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](C)NC(=O)CC(N)=O)N(C)C ZINC001358109634 886421119 /nfs/dbraw/zinc/42/11/19/886421119.db2.gz OQLDMNITKBNQOY-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](C(=O)N[C@H](C)CNC(=O)C(N)=O)N(C)C ZINC001358388364 886426517 /nfs/dbraw/zinc/42/65/17/886426517.db2.gz BTOVGNDUFBNZFK-SFYZADRCSA-N 0 3 258.322 -1.567 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)CC(N)=O ZINC001358595436 886432771 /nfs/dbraw/zinc/43/27/71/886432771.db2.gz NTODKCMTKXZYJR-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001358543542 886433160 /nfs/dbraw/zinc/43/31/60/886433160.db2.gz RDHGOXBHADNAPV-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](C(=O)N(C)C1CN(C(=O)C(N)=O)C1)N(C)C ZINC001358737676 886442709 /nfs/dbraw/zinc/44/27/09/886442709.db2.gz PDACVXNMLJSPKV-SECBINFHSA-N 0 3 270.333 -1.519 20 0 CAADHN CC(C)N(C)CC(=O)N(C)C1CN(C(=O)CC(N)=O)C1 ZINC001358735002 886442909 /nfs/dbraw/zinc/44/29/09/886442909.db2.gz DSAUQQJJKVDYRC-UHFFFAOYSA-N 0 3 284.360 -1.129 20 0 CAADHN CCN(CC)CC(=O)N[C@]1(C)CCN(C(=O)C(N)=O)C1 ZINC001358794565 886443117 /nfs/dbraw/zinc/44/31/17/886443117.db2.gz IAWGYMOYAUPGNF-CYBMUJFWSA-N 0 3 284.360 -1.079 20 0 CAADHN CC[C@H](C(=O)N1CC[C@@](C)(NC(=O)C(N)=O)C1)N(C)C ZINC001358804809 886443426 /nfs/dbraw/zinc/44/34/26/886443426.db2.gz ALUMABWMIOAAAH-NOZJJQNGSA-N 0 3 284.360 -1.081 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001358805909 886445257 /nfs/dbraw/zinc/44/52/57/886445257.db2.gz YRNMEULLDYOHIG-CYBMUJFWSA-N 0 3 284.360 -1.079 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001358805910 886446690 /nfs/dbraw/zinc/44/66/90/886446690.db2.gz YRNMEULLDYOHIG-ZDUSSCGKSA-N 0 3 284.360 -1.079 20 0 CAADHN CC(C)N1CCCN(C(=O)[C@H](CO)NC(N)=O)CC1 ZINC001361898261 886499473 /nfs/dbraw/zinc/49/94/73/886499473.db2.gz LOSQUBPVUYWFEE-JTQLQIEISA-N 0 3 272.349 -1.042 20 0 CAADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cn1nnc(N)n1 ZINC001361942004 886509788 /nfs/dbraw/zinc/50/97/88/886509788.db2.gz RHXTZAGFVZYVAI-SNVBAGLBSA-N 0 3 297.363 -1.176 20 0 CAADHN COCCN1CCC(NC(=O)Cn2nnc(N)n2)CC1 ZINC001361988414 886511756 /nfs/dbraw/zinc/51/17/56/886511756.db2.gz YSZNUFJRHGSOKG-UHFFFAOYSA-N 0 3 283.336 -1.518 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CC1C(=O)N=CNC1=O ZINC001362307296 886580593 /nfs/dbraw/zinc/58/05/93/886580593.db2.gz CNBMVYRJAJRLPA-GFCCVEGCSA-N 0 3 284.316 -1.141 20 0 CAADHN COCCn1cc(C(=O)NC[C@]2(O)CCN(C)C2)nn1 ZINC001362319698 886588104 /nfs/dbraw/zinc/58/81/04/886588104.db2.gz NUXRLHPPTFSRQB-GFCCVEGCSA-N 0 3 283.332 -1.279 20 0 CAADHN COC1CCN(CCNC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001362344807 886590883 /nfs/dbraw/zinc/59/08/83/886590883.db2.gz IEWDGYIROLOWAF-SNVBAGLBSA-N 0 3 288.348 -1.757 20 0 CAADHN CCN(CCO)CCNC(=O)Cn1nc(C)oc1=O ZINC001362366781 886601758 /nfs/dbraw/zinc/60/17/58/886601758.db2.gz RLDJRVADVHKFGX-UHFFFAOYSA-N 0 3 272.305 -1.425 20 0 CAADHN CCN1CCN(CCC(=O)NC[C@@H](O)C(N)=O)CC1 ZINC001362415250 886610195 /nfs/dbraw/zinc/61/01/95/886610195.db2.gz WIRZINMLVFFIKW-SNVBAGLBSA-N 0 3 272.349 -2.024 20 0 CAADHN O=C(CO)NCCC(=O)N[C@H](CO)CN1CCCCC1 ZINC001362432510 886614533 /nfs/dbraw/zinc/61/45/33/886614533.db2.gz PALLGSAIGVWVDV-NSHDSACASA-N 0 3 287.360 -1.552 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001362440490 886617529 /nfs/dbraw/zinc/61/75/29/886617529.db2.gz PWAIPZHVNZIEHK-FBIMIBRVSA-N 0 3 283.332 -1.374 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001362511761 886632737 /nfs/dbraw/zinc/63/27/37/886632737.db2.gz WZXWRBYCNYSFBN-BDAKNGLRSA-N 0 3 284.316 -1.843 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)Cn1ncn2nccc2c1=O ZINC001362525048 886636542 /nfs/dbraw/zinc/63/65/42/886636542.db2.gz VONSYNTUHSZCLE-VIFPVBQESA-N 0 3 294.315 -2.070 20 0 CAADHN Nc1nnn(CC(=O)N[C@H]2CCCN(CCCO)C2)n1 ZINC001362592233 886651924 /nfs/dbraw/zinc/65/19/24/886651924.db2.gz PGOAMKKQJWUCDJ-VIFPVBQESA-N 0 3 283.336 -1.782 20 0 CAADHN Nc1nnn(CC(=O)N[C@@H]2CCCN(CCCO)C2)n1 ZINC001362592229 886652841 /nfs/dbraw/zinc/65/28/41/886652841.db2.gz PGOAMKKQJWUCDJ-SECBINFHSA-N 0 3 283.336 -1.782 20 0 CAADHN CN1CCC(N(CCO)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001362613217 886658368 /nfs/dbraw/zinc/65/83/68/886658368.db2.gz OFUGAWUAQHJQJD-NWDGAFQWSA-N 0 3 299.371 -1.066 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001362616990 886658880 /nfs/dbraw/zinc/65/88/80/886658880.db2.gz LJPKTJZKEDTMJM-NSHDSACASA-N 0 3 282.304 -2.440 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001362619973 886661154 /nfs/dbraw/zinc/66/11/54/886661154.db2.gz XNJKCGKUQZVMIC-CYBMUJFWSA-N 0 3 278.312 -1.023 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2ns[nH]c2=O)CC1=O ZINC001362631522 886665681 /nfs/dbraw/zinc/66/56/81/886665681.db2.gz LTYAYTOUQQQTBA-UHFFFAOYSA-N 0 3 299.356 -1.323 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cn1nccc1N ZINC001362653821 886668435 /nfs/dbraw/zinc/66/84/35/886668435.db2.gz ZOLKRRGOBOOZTB-UHFFFAOYSA-N 0 3 296.375 -1.056 20 0 CAADHN CCN(CCO)CCNC(=O)CNS(=O)(=O)NC ZINC001362707228 886682079 /nfs/dbraw/zinc/68/20/79/886682079.db2.gz QGENJAQZAIJVLQ-UHFFFAOYSA-N 0 3 282.366 -2.529 20 0 CAADHN CN1C[C@H](O)C[C@]1(C)C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001362794510 886709931 /nfs/dbraw/zinc/70/99/31/886709931.db2.gz HYYDTAKQZXDDDS-DMDPSCGWSA-N 0 3 282.344 -1.116 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)O1 ZINC001362848900 886727950 /nfs/dbraw/zinc/72/79/50/886727950.db2.gz RAJSZABUSNWMRC-WISYIIOYSA-N 0 3 297.355 -1.313 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)O1 ZINC001362848892 886728432 /nfs/dbraw/zinc/72/84/32/886728432.db2.gz RAJSZABUSNWMRC-NOOOWODRSA-N 0 3 297.355 -1.313 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)O1 ZINC001362848887 886728567 /nfs/dbraw/zinc/72/85/67/886728567.db2.gz RAJSZABUSNWMRC-FIQHERPVSA-N 0 3 297.355 -1.313 20 0 CAADHN O=C(c1ns[nH]c1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001362883091 886733241 /nfs/dbraw/zinc/73/32/41/886733241.db2.gz DPNWQXUFEJIOOY-NKWVEPMBSA-N 0 3 270.314 -1.278 20 0 CAADHN COC(=O)c1cn(CC(=O)NCCN(C)CCO)nn1 ZINC001362949326 886749563 /nfs/dbraw/zinc/74/95/63/886749563.db2.gz DVRBTPVGXXITDJ-UHFFFAOYSA-N 0 3 285.304 -1.895 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H](CO)NC(N)=O)CCN(C2CC2)C1 ZINC001362943702 886749922 /nfs/dbraw/zinc/74/99/22/886749922.db2.gz MDOJDGWSNHRVIH-GXSJLCMTSA-N 0 3 284.360 -1.042 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)N[C@@H](CO)CN1CCCC1 ZINC001362961846 886754256 /nfs/dbraw/zinc/75/42/56/886754256.db2.gz GDRHEYJXUUCWEB-SNVBAGLBSA-N 0 3 298.343 -1.499 20 0 CAADHN Cn1cc(C(=O)N2CC(N[C@H]3CCOC3)C2)n(C)c1=O ZINC001362992163 886759251 /nfs/dbraw/zinc/75/92/51/886759251.db2.gz POIWUODPYZJSTA-VIFPVBQESA-N 0 3 280.328 -1.073 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CN(C)CC1(C)C ZINC001362987608 886759892 /nfs/dbraw/zinc/75/98/92/886759892.db2.gz KZEJOEZPKKGLLX-SNVBAGLBSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@H]1CN(C)CC1(C)C ZINC001362987603 886760174 /nfs/dbraw/zinc/76/01/74/886760174.db2.gz KZEJOEZPKKGLLX-JTQLQIEISA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)NCCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001362994773 886764790 /nfs/dbraw/zinc/76/47/90/886764790.db2.gz ZJGKMSQLRVPVID-VIFPVBQESA-N 0 3 270.333 -1.105 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)NC[C@@H]1CCCCN1CCO ZINC001363032883 886772239 /nfs/dbraw/zinc/77/22/39/886772239.db2.gz PCYCTBMVQLRGEM-UWVGGRQHSA-N 0 3 288.348 -2.021 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)NC[C@H]1CCCCN1CCO ZINC001363032881 886773285 /nfs/dbraw/zinc/77/32/85/886773285.db2.gz PCYCTBMVQLRGEM-NXEZZACHSA-N 0 3 288.348 -2.021 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CCCN1C ZINC001363076071 886784753 /nfs/dbraw/zinc/78/47/53/886784753.db2.gz VMYBVPJQJNXHIY-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H](O)[C@H](CO)C1 ZINC001363119232 886796832 /nfs/dbraw/zinc/79/68/32/886796832.db2.gz XMFVAUVDJKCMGX-AVGNSLFASA-N 0 3 283.372 -1.422 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H](O)[C@H](CO)C1 ZINC001363119244 886797410 /nfs/dbraw/zinc/79/74/10/886797410.db2.gz XMFVAUVDJKCMGX-RWMBFGLXSA-N 0 3 283.372 -1.422 20 0 CAADHN Cc1nn(CC(=O)N[C@H](CO)CN2CCCC2)c(=O)o1 ZINC001363144139 886803260 /nfs/dbraw/zinc/80/32/60/886803260.db2.gz UTQJYRDZEDSFSP-JTQLQIEISA-N 0 3 284.316 -1.282 20 0 CAADHN CC[C@@H](C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)N(C)C ZINC001363139982 886803857 /nfs/dbraw/zinc/80/38/57/886803857.db2.gz GLYBWFQFLCVZHP-CIUDSAMLSA-N 0 3 270.333 -1.628 20 0 CAADHN CC[C@@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)N(C)C ZINC001363139999 886805005 /nfs/dbraw/zinc/80/50/05/886805005.db2.gz GLYBWFQFLCVZHP-YIZRAAEISA-N 0 3 270.333 -1.628 20 0 CAADHN CC[C@@H](C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)N(C)C ZINC001363139995 886805566 /nfs/dbraw/zinc/80/55/66/886805566.db2.gz GLYBWFQFLCVZHP-HLTSFMKQSA-N 0 3 270.333 -1.628 20 0 CAADHN Cc1nn(CC(=O)N[C@@H](CO)CN2CCCC2)c(=O)o1 ZINC001363144145 886806160 /nfs/dbraw/zinc/80/61/60/886806160.db2.gz UTQJYRDZEDSFSP-SNVBAGLBSA-N 0 3 284.316 -1.282 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)C[C@@H](O)C(C)(C)O ZINC001363197462 886826561 /nfs/dbraw/zinc/82/65/61/886826561.db2.gz PTMYATRTAWTCEX-VXGBXAGGSA-N 0 3 276.377 -1.257 20 0 CAADHN CCOC(=O)[C@@](C)(O)CN1CCC(O)(C(N)=O)CC1 ZINC001363235701 886836409 /nfs/dbraw/zinc/83/64/09/886836409.db2.gz LYTFNTPGYYJUPQ-NSHDSACASA-N 0 3 274.317 -1.387 20 0 CAADHN C[C@@H](O)CN(CC1(O)CCS(=O)(=O)CC1)[C@H](C)CO ZINC001363232968 886837146 /nfs/dbraw/zinc/83/71/46/886837146.db2.gz WGCBVBUWIGBYNV-GHMZBOCLSA-N 0 3 295.401 -1.010 20 0 CAADHN O=C(CO)NCCC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC001363271109 886848725 /nfs/dbraw/zinc/84/87/25/886848725.db2.gz VANBVMOJAQDKBP-LLVKDONJSA-N 0 3 287.360 -1.552 20 0 CAADHN CCN1C[C@@H](CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)OC1=O ZINC001363304066 886861470 /nfs/dbraw/zinc/86/14/70/886861470.db2.gz RAQLNWWOBXHPSX-HLTSFMKQSA-N 0 3 284.316 -1.654 20 0 CAADHN CNS(=O)(=O)CCN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001363302510 886862662 /nfs/dbraw/zinc/86/26/62/886862662.db2.gz FIQQHAQMIWMKEE-KNVOCYPGSA-N 0 3 278.334 -2.946 20 0 CAADHN CC1CCN(CC(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001363317752 886866381 /nfs/dbraw/zinc/86/63/81/886866381.db2.gz QTTCTNLKLSBKKI-GHMZBOCLSA-N 0 3 296.371 -1.237 20 0 CAADHN CNC(=O)CN1CCCN(C[C@@H](O)Cn2cccn2)CC1 ZINC001363320989 886869798 /nfs/dbraw/zinc/86/97/98/886869798.db2.gz NPJDMGIYLXDACY-CYBMUJFWSA-N 0 3 295.387 -1.002 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001363337782 886874131 /nfs/dbraw/zinc/87/41/31/886874131.db2.gz NIRVJJMCIMAWPX-NEPJUHHUSA-N 0 3 280.372 -1.186 20 0 CAADHN CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1nc[nH]n1 ZINC001363353978 886877992 /nfs/dbraw/zinc/87/79/92/886877992.db2.gz KNVOIXOTZANKCS-QMMMGPOBSA-N 0 3 277.288 -1.456 20 0 CAADHN NS(=O)(=O)CCCC(=O)N[C@H](CO)CN1CCCC1 ZINC001363373633 886884979 /nfs/dbraw/zinc/88/49/79/886884979.db2.gz JFCHKHVTPQUBDF-JTQLQIEISA-N 0 3 293.389 -1.372 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H](CO)CN1CCCC1 ZINC001363373427 886885027 /nfs/dbraw/zinc/88/50/27/886885027.db2.gz HXGRYHVKDGSAAN-SECBINFHSA-N 0 3 294.377 -2.387 20 0 CAADHN NC(=O)c1ncn(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC001363466663 886908322 /nfs/dbraw/zinc/90/83/22/886908322.db2.gz REXXWAIVUXZLJD-DTWKUNHWSA-N 0 3 294.315 -2.346 20 0 CAADHN O=S1(=O)CC[C@](O)(CNC2CCS(=O)(=O)CC2)C1 ZINC001363598908 886947278 /nfs/dbraw/zinc/94/72/78/886947278.db2.gz GXQVWOWEZUESNB-JTQLQIEISA-N 0 3 297.398 -1.297 20 0 CAADHN O=C(N1CC(N[C@@H]2CCOC2)C1)C1(n2cnnn2)CC1 ZINC001363631365 886950245 /nfs/dbraw/zinc/95/02/45/886950245.db2.gz LLEUHRJWQLUYCT-SECBINFHSA-N 0 3 278.316 -1.249 20 0 CAADHN O=C(N1CC(N[C@H]2CCOC2)C1)C1(n2cnnn2)CC1 ZINC001363631372 886951215 /nfs/dbraw/zinc/95/12/15/886951215.db2.gz LLEUHRJWQLUYCT-VIFPVBQESA-N 0 3 278.316 -1.249 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001363684514 886959169 /nfs/dbraw/zinc/95/91/69/886959169.db2.gz WIFMBQIPXSGUGY-SECBINFHSA-N 0 3 294.311 -1.462 20 0 CAADHN COC(=O)COCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001363672477 886959299 /nfs/dbraw/zinc/95/92/99/886959299.db2.gz FLTOXZZJJLJLRF-VIFPVBQESA-N 0 3 272.301 -1.235 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001363696255 886963879 /nfs/dbraw/zinc/96/38/79/886963879.db2.gz JCOZSDOJYAVMHX-BDAKNGLRSA-N 0 3 291.373 -1.487 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1C[C@@H](CO)[C@H](CO)C1 ZINC001363732950 886969775 /nfs/dbraw/zinc/96/97/75/886969775.db2.gz SBLZXUVLZSLZMH-RWMBFGLXSA-N 0 3 283.372 -1.565 20 0 CAADHN CS(=O)(=O)C[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC001363722819 886970079 /nfs/dbraw/zinc/97/00/79/886970079.db2.gz ALBAPADRXBTDDW-LURJTMIESA-N 0 3 272.334 -1.093 20 0 CAADHN CS(=O)(=O)C[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC001363722824 886971225 /nfs/dbraw/zinc/97/12/25/886971225.db2.gz ALBAPADRXBTDDW-ZCFIWIBFSA-N 0 3 272.334 -1.093 20 0 CAADHN NS(=O)(=O)NC[C@H]1CCCN(C[C@H]2COCCO2)C1 ZINC001363777738 886976480 /nfs/dbraw/zinc/97/64/80/886976480.db2.gz LGFWITPWEIYRMC-MNOVXSKESA-N 0 3 293.389 -1.093 20 0 CAADHN CC(C)(O)[C@@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC001363783517 886981428 /nfs/dbraw/zinc/98/14/28/886981428.db2.gz YDZSEZVDOACXCM-UWVGGRQHSA-N 0 3 295.405 -1.377 20 0 CAADHN CS(=O)(=O)N1CC(CN[C@@]2(C(N)=O)CCOC2)C1 ZINC001363809355 886983796 /nfs/dbraw/zinc/98/37/96/886983796.db2.gz ROKDCLJMEBRFFV-JTQLQIEISA-N 0 3 277.346 -1.888 20 0 CAADHN CNC(=O)CCCN1CCN2CCOC[C@]2(CO)C1 ZINC001363847634 886995891 /nfs/dbraw/zinc/99/58/91/886995891.db2.gz TXFASCWYZOXZGL-CYBMUJFWSA-N 0 3 271.361 -1.109 20 0 CAADHN O=C(N1CC[C@@H]2[C@H]1CCCN2CCO)C1(O)COC1 ZINC001363885010 886997266 /nfs/dbraw/zinc/99/72/66/886997266.db2.gz LHCNVRNBYGIRPS-GHMZBOCLSA-N 0 3 270.329 -1.195 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@@H](O)Cn1ccnn1 ZINC001364007308 887018553 /nfs/dbraw/zinc/01/85/53/887018553.db2.gz XCXWVYVBKYBRHY-SNVBAGLBSA-N 0 3 291.377 -1.490 20 0 CAADHN O=C(N[C@H](CO)[C@@H]1CCOC1)[C@H]1CN2CCN1CCC2 ZINC001364061626 887025923 /nfs/dbraw/zinc/02/59/23/887025923.db2.gz RYGPOSDDHCJMRH-JHJVBQTASA-N 0 3 283.372 -1.110 20 0 CAADHN O=C(N[C@H](CO)[C@@H]1CCOC1)[C@@H]1CN2CCN1CCC2 ZINC001364061640 887027162 /nfs/dbraw/zinc/02/71/62/887027162.db2.gz RYGPOSDDHCJMRH-UPJWGTAASA-N 0 3 283.372 -1.110 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NCc1nc(CO)n[nH]1 ZINC001364104277 887032549 /nfs/dbraw/zinc/03/25/49/887032549.db2.gz VGZWZNFJFPZXKN-SECBINFHSA-N 0 3 283.332 -1.119 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)c1nnnn1C ZINC001364128208 887036973 /nfs/dbraw/zinc/03/69/73/887036973.db2.gz MYZOPCHPPKFZBS-NXEZZACHSA-N 0 3 279.348 -1.223 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)c1nnnn1C ZINC001364128219 887037437 /nfs/dbraw/zinc/03/74/37/887037437.db2.gz MYZOPCHPPKFZBS-UWVGGRQHSA-N 0 3 279.348 -1.223 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)CC1=O ZINC001364147118 887040571 /nfs/dbraw/zinc/04/05/71/887040571.db2.gz AXEJHTPSAPQMMR-FIQHERPVSA-N 0 3 299.371 -1.603 20 0 CAADHN CCN1C[C@H](NC(=O)NC[C@]2(O)CCN(C)C2)CC1=O ZINC001364274447 887055906 /nfs/dbraw/zinc/05/59/06/887055906.db2.gz PVDYMCVWFPUVDS-ZWNOBZJWSA-N 0 3 284.360 -1.027 20 0 CAADHN C[C@@H](CCN(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001364358712 887068754 /nfs/dbraw/zinc/06/87/54/887068754.db2.gz YHSWPMDFHPXACD-IVZWLZJFSA-N 0 3 278.374 -1.152 20 0 CAADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NC[C@@H](O)CO)cn1 ZINC001364391222 887076452 /nfs/dbraw/zinc/07/64/52/887076452.db2.gz ODHFWWJNPTWUFL-JHJVBQTASA-N 0 3 296.371 -1.075 20 0 CAADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NC[C@@H](O)CO)cn1 ZINC001364391221 887076180 /nfs/dbraw/zinc/07/61/80/887076180.db2.gz ODHFWWJNPTWUFL-FRRDWIJNSA-N 0 3 296.371 -1.075 20 0 CAADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NC[C@@H](O)CO)cn1 ZINC001364391220 887076700 /nfs/dbraw/zinc/07/67/00/887076700.db2.gz ODHFWWJNPTWUFL-AGIUHOORSA-N 0 3 296.371 -1.075 20 0 CAADHN Nc1nnn(CC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)n1 ZINC001364416422 887080622 /nfs/dbraw/zinc/08/06/22/887080622.db2.gz PIKAPGWFKJGDLO-ZJUUUORDSA-N 0 3 295.347 -1.687 20 0 CAADHN O=C1CO[C@@H]2CCN(C[C@@H](O)Cn3cccn3)C[C@H]2N1 ZINC001364422251 887082352 /nfs/dbraw/zinc/08/23/52/887082352.db2.gz XAXIXSZYARNZDC-IJLUTSLNSA-N 0 3 280.328 -1.167 20 0 CAADHN COC(=O)Cn1cc(CCN2CC[C@@H](O)[C@@H](CO)C2)nn1 ZINC001364437529 887082805 /nfs/dbraw/zinc/08/28/05/887082805.db2.gz GPVGSNYNQLRTFX-ZYHUDNBSSA-N 0 3 298.343 -1.331 20 0 CAADHN COC(=O)Cn1cc(CCN2CC[C@H](O)[C@H](CO)C2)nn1 ZINC001364437525 887084747 /nfs/dbraw/zinc/08/47/47/887084747.db2.gz GPVGSNYNQLRTFX-JQWIXIFHSA-N 0 3 298.343 -1.331 20 0 CAADHN C[C@H]1CN(CCNS(C)(=O)=O)[C@@H](C)CN1CCO ZINC001364445242 887086268 /nfs/dbraw/zinc/08/62/68/887086268.db2.gz KWLRIPHATZNUQH-QWRGUYRKSA-N 0 3 279.406 -1.078 20 0 CAADHN CC(C)NC(=O)NCCN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001364451488 887087740 /nfs/dbraw/zinc/08/77/40/887087740.db2.gz KHNUFEABKKACTG-IUCAKERBSA-N 0 3 285.348 -1.787 20 0 CAADHN CC(C)NC(=O)NCCN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364451483 887088841 /nfs/dbraw/zinc/08/88/41/887088841.db2.gz KHNUFEABKKACTG-DTORHVGOSA-N 0 3 285.348 -1.787 20 0 CAADHN NC(=O)[C@H]1CN([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C(N)=O ZINC001364452170 887089366 /nfs/dbraw/zinc/08/93/66/887089366.db2.gz OFSXPIQEHVYQLR-OUAUKWLOSA-N 0 3 294.355 -1.342 20 0 CAADHN NC(=O)[C@@H]1CN(C[C@H]2CN(C3CC3)C(=O)O2)C[C@H]1C(N)=O ZINC001364469782 887091164 /nfs/dbraw/zinc/09/11/64/887091164.db2.gz OGANETIOKPAOHY-IVZWLZJFSA-N 0 3 296.327 -1.512 20 0 CAADHN NC(=O)[C@@H]1CN(Cc2cnn(CCF)c2)C[C@H]1C(N)=O ZINC001364469558 887091656 /nfs/dbraw/zinc/09/16/56/887091656.db2.gz MKVPWUJCEFKGCX-NXEZZACHSA-N 0 3 283.307 -1.129 20 0 CAADHN C[C@H](O)[C@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1 ZINC001364512805 887101329 /nfs/dbraw/zinc/10/13/29/887101329.db2.gz PIFXQKCTBRUYEX-RWMBFGLXSA-N 0 3 283.372 -1.016 20 0 CAADHN C[C@H](O)[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCO1 ZINC001364512807 887101654 /nfs/dbraw/zinc/10/16/54/887101654.db2.gz PIFXQKCTBRUYEX-XQQFMLRXSA-N 0 3 283.372 -1.016 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC001364638301 887117511 /nfs/dbraw/zinc/11/75/11/887117511.db2.gz GWTGFSGEKRONDI-UMNHJUIQSA-N 0 3 273.333 -1.234 20 0 CAADHN NC(=O)NC(=O)CCCN1CCC(S(N)(=O)=O)CC1 ZINC001364685862 887124164 /nfs/dbraw/zinc/12/41/64/887124164.db2.gz RODIWGGMGKTTAZ-UHFFFAOYSA-N 0 3 292.361 -1.286 20 0 CAADHN COC(=O)CNC(=O)CCN1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001364718709 887126089 /nfs/dbraw/zinc/12/60/89/887126089.db2.gz RBSHCEWFMDVNPT-NXEZZACHSA-N 0 3 299.327 -1.745 20 0 CAADHN O=C1CO[C@@H]2CCN(C[C@@H](O)C3(O)CCC3)C[C@H]2N1 ZINC001364718759 887127014 /nfs/dbraw/zinc/12/70/14/887127014.db2.gz SDTNTEDWPZPDCI-GMTAPVOTSA-N 0 3 270.329 -1.148 20 0 CAADHN CN(C)C(=O)OCCN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001364754111 887128961 /nfs/dbraw/zinc/12/89/61/887128961.db2.gz DVRPIEWYDNQTTD-YUMQZZPRSA-N 0 3 272.305 -1.797 20 0 CAADHN CCOC(=O)[C@@](C)(O)CN1CC[C@@H](CS(N)(=O)=O)C1 ZINC001364816039 887139304 /nfs/dbraw/zinc/13/93/04/887139304.db2.gz VVKMXCFCMWNDJB-KOLCDFICSA-N 0 3 294.373 -1.089 20 0 CAADHN O=C1NCC[C@@H]1CCN1CCN2CCOC[C@]2(CO)C1 ZINC001364821802 887140354 /nfs/dbraw/zinc/14/03/54/887140354.db2.gz WKNOWWHWHXBMOX-TZMCWYRMSA-N 0 3 283.372 -1.109 20 0 CAADHN Cc1cn2nnc(C(=O)NCCN(C)CCO)c2c(=O)[nH]1 ZINC001364834498 887142040 /nfs/dbraw/zinc/14/20/40/887142040.db2.gz FMKIZDHIQQTQCD-UHFFFAOYSA-N 0 3 294.315 -1.208 20 0 CAADHN CN(CCO)CCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001364836296 887142249 /nfs/dbraw/zinc/14/22/49/887142249.db2.gz OOHZMGVJJLOMOF-GMTAPVOTSA-N 0 3 274.317 -2.561 20 0 CAADHN O=S1(=O)CCCN1CCN1C[C@@H](CO)[C@H](CCO)C1 ZINC001364843335 887145648 /nfs/dbraw/zinc/14/56/48/887145648.db2.gz KMXOWUIUVROGAU-NEPJUHHUSA-N 0 3 292.401 -1.055 20 0 CAADHN COC(=O)CNC(=O)CN[C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC001364987418 887160860 /nfs/dbraw/zinc/16/08/60/887160860.db2.gz FVDCOCPZAJUWHU-IUCAKERBSA-N 0 3 292.357 -1.312 20 0 CAADHN O=C(C1CS(=O)(=O)C1)N1CC(N[C@H]2CCOC2)C1 ZINC001364996010 887161497 /nfs/dbraw/zinc/16/14/97/887161497.db2.gz BKURRWQDFFFSMU-VIFPVBQESA-N 0 3 274.342 -1.380 20 0 CAADHN COC(=O)CNC(=O)CN[C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC001364987413 887161913 /nfs/dbraw/zinc/16/19/13/887161913.db2.gz FVDCOCPZAJUWHU-BDAKNGLRSA-N 0 3 292.357 -1.312 20 0 CAADHN Cc1nn(CC(=O)N2CC(N[C@@H]3CCOC3)C2)c(=O)o1 ZINC001364999127 887163538 /nfs/dbraw/zinc/16/35/38/887163538.db2.gz VSUATSZSEDNIDB-SECBINFHSA-N 0 3 282.300 -1.266 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1COC[C@@H]1O ZINC001365104166 887170587 /nfs/dbraw/zinc/17/05/87/887170587.db2.gz PZVIXCOLTHHPSX-KKOKHZNYSA-N 0 3 285.344 -1.092 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC001365134509 887173071 /nfs/dbraw/zinc/17/30/71/887173071.db2.gz KFVQZVMOPSSBDH-SECBINFHSA-N 0 3 299.418 -1.369 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001365133235 887173110 /nfs/dbraw/zinc/17/31/10/887173110.db2.gz HSPRYWVMEDAAAP-ZJUUUORDSA-N 0 3 293.389 -1.110 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001365133231 887173233 /nfs/dbraw/zinc/17/32/33/887173233.db2.gz HSPRYWVMEDAAAP-VHSXEESVSA-N 0 3 293.389 -1.110 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC001365134510 887173940 /nfs/dbraw/zinc/17/39/40/887173940.db2.gz KFVQZVMOPSSBDH-VIFPVBQESA-N 0 3 299.418 -1.369 20 0 CAADHN CNC(=O)[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC001365197887 887182052 /nfs/dbraw/zinc/18/20/52/887182052.db2.gz QNFRLPCBXFJTKI-NEPJUHHUSA-N 0 3 280.372 -1.029 20 0 CAADHN COC(=O)c1cn([C@H]2CCN(C[C@H](O)CO)C2)nn1 ZINC001365289934 887191614 /nfs/dbraw/zinc/19/16/14/887191614.db2.gz QCPKGKFPTGXOLZ-IUCAKERBSA-N 0 3 270.289 -1.335 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1C[C@@H](O)[C@H](CO)C1 ZINC001365556332 887219029 /nfs/dbraw/zinc/21/90/29/887219029.db2.gz WEVCCOQWDOAXDU-UMSGYPCISA-N 0 3 299.371 -1.156 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1C[C@H](O)[C@@H](CO)C1 ZINC001365556329 887220699 /nfs/dbraw/zinc/22/06/99/887220699.db2.gz WEVCCOQWDOAXDU-LPWJVIDDSA-N 0 3 299.371 -1.156 20 0 CAADHN COCn1ncc(C)c1CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001365610863 887227228 /nfs/dbraw/zinc/22/72/28/887227228.db2.gz SACHRIRZDXKOKD-UWVGGRQHSA-N 0 3 295.343 -1.186 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001365892005 887248694 /nfs/dbraw/zinc/24/86/94/887248694.db2.gz MIWANLSQIXWPGX-VHSXEESVSA-N 0 3 299.375 -1.111 20 0 CAADHN CCC(=O)NCC1CC(NCC(=O)N2CCNC(=O)C2)C1 ZINC001365908488 887250623 /nfs/dbraw/zinc/25/06/23/887250623.db2.gz OSJONVNJSULFGW-UHFFFAOYSA-N 0 3 296.371 -1.161 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001365933525 887253057 /nfs/dbraw/zinc/25/30/57/887253057.db2.gz CDXINRPTCVJNMG-QWRGUYRKSA-N 0 3 298.347 -1.739 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001365948325 887253736 /nfs/dbraw/zinc/25/37/36/887253736.db2.gz DAQWXBBIZVXWKA-TUAOUCFPSA-N 0 3 299.371 -1.147 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001365967663 887254799 /nfs/dbraw/zinc/25/47/99/887254799.db2.gz FEJGAOWKSKDLDB-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001365940097 887255370 /nfs/dbraw/zinc/25/53/70/887255370.db2.gz SWHDWZPXETZBSV-QWRGUYRKSA-N 0 3 298.347 -1.739 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001365948326 887256139 /nfs/dbraw/zinc/25/61/39/887256139.db2.gz DAQWXBBIZVXWKA-UTUOFQBUSA-N 0 3 299.371 -1.147 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)CN2CCCC2=O)C1 ZINC001365967664 887256401 /nfs/dbraw/zinc/25/64/01/887256401.db2.gz FEJGAOWKSKDLDB-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001365995793 887259504 /nfs/dbraw/zinc/25/95/04/887259504.db2.gz YMFAWTNUGXVLNL-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN COCC(=O)NC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001366023723 887260509 /nfs/dbraw/zinc/26/05/09/887260509.db2.gz ULZGIOHVGYRXDW-IONNQARKSA-N 0 3 286.332 -1.299 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)CN(C)C(C)=O)C1 ZINC001365989944 887261251 /nfs/dbraw/zinc/26/12/51/887261251.db2.gz ZGDCKOAZIMQGTL-VXGBXAGGSA-N 0 3 287.360 -1.338 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CNC(=O)OC)C1CC1 ZINC001366023081 887261308 /nfs/dbraw/zinc/26/13/08/887261308.db2.gz RHNPDKARGRKEEG-SECBINFHSA-N 0 3 286.332 -1.427 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001365978875 887262257 /nfs/dbraw/zinc/26/22/57/887262257.db2.gz GNSICIVKTPEJAI-SDDRHHMPSA-N 0 3 299.371 -1.147 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CNC(=O)OC)C1CC1 ZINC001366023121 887265267 /nfs/dbraw/zinc/26/52/67/887265267.db2.gz RHNPDKARGRKEEG-VIFPVBQESA-N 0 3 286.332 -1.427 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)Cn1ccccc1=O)C1CC1 ZINC001366081680 887265920 /nfs/dbraw/zinc/26/59/20/887265920.db2.gz XHIGEDFVEBSSNW-LLVKDONJSA-N 0 3 292.339 -1.182 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001366035725 887266001 /nfs/dbraw/zinc/26/60/01/887266001.db2.gz SVRWXHMRSGSYHT-SNVBAGLBSA-N 0 3 295.347 -1.754 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001366104552 887266637 /nfs/dbraw/zinc/26/66/37/887266637.db2.gz YQEIQQAPBWHQGC-ZETCQYMHSA-N 0 3 278.334 -2.789 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001366098473 887266298 /nfs/dbraw/zinc/26/62/98/887266298.db2.gz LLULYGUROFZEFR-QMMMGPOBSA-N 0 3 294.315 -1.662 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001366095194 887266396 /nfs/dbraw/zinc/26/63/96/887266396.db2.gz OYBCQVUYWIGLCA-VIFPVBQESA-N 0 3 298.343 -1.323 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001366052638 887266429 /nfs/dbraw/zinc/26/64/29/887266429.db2.gz GIMSWSRWMLMTPK-KXUCPTDWSA-N 0 3 298.343 -2.011 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN2CCCCC2=O)C1 ZINC001366096726 887266531 /nfs/dbraw/zinc/26/65/31/887266531.db2.gz DIBNGMYNGPOKJR-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001366091002 887267324 /nfs/dbraw/zinc/26/73/24/887267324.db2.gz BXBZQVWXZDMIGM-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001366087652 887267506 /nfs/dbraw/zinc/26/75/06/887267506.db2.gz LUWKWAWLCFGDTN-UWVGGRQHSA-N 0 3 298.343 -1.331 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001366088826 887267534 /nfs/dbraw/zinc/26/75/34/887267534.db2.gz URHFLMHTYBNMMJ-UWVGGRQHSA-N 0 3 283.328 -1.124 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)c1nccnc1N)C1CC1 ZINC001366034255 887267991 /nfs/dbraw/zinc/26/79/91/887267991.db2.gz YOAXFGZAEOFZJY-MRVPVSSYSA-N 0 3 278.316 -1.358 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001366087654 887268313 /nfs/dbraw/zinc/26/83/13/887268313.db2.gz LUWKWAWLCFGDTN-ZJUUUORDSA-N 0 3 298.343 -1.331 20 0 CAADHN Cn1ccc(=O)c(C(=O)NC[C@H](NCC(N)=O)C2CC2)c1 ZINC001366036913 887268505 /nfs/dbraw/zinc/26/85/05/887268505.db2.gz COAQCSAKXSAPHN-NSHDSACASA-N 0 3 292.339 -1.031 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001366090010 887268722 /nfs/dbraw/zinc/26/87/22/887268722.db2.gz LKIWGXGZAMJGFW-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)Cn1ccccc1=O)C1CC1 ZINC001366081683 887268844 /nfs/dbraw/zinc/26/88/44/887268844.db2.gz XHIGEDFVEBSSNW-NSHDSACASA-N 0 3 292.339 -1.182 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)n2cncn2)C1 ZINC001366086955 887268872 /nfs/dbraw/zinc/26/88/72/887268872.db2.gz FLYRFLGKFNHGAF-UWVGGRQHSA-N 0 3 280.332 -1.224 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)Cn1cncn1)C1CC1)C(N)=O ZINC001366063417 887268970 /nfs/dbraw/zinc/26/89/70/887268970.db2.gz XVTODWPOQZQJNX-PSASIEDQSA-N 0 3 280.332 -1.364 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CNC(=O)CCNC(N)=O)C1CC1 ZINC001366081208 887269041 /nfs/dbraw/zinc/26/90/41/887269041.db2.gz URGYKYLIHQFCRP-WPRPVWTQSA-N 0 3 299.375 -1.336 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001366090244 887269185 /nfs/dbraw/zinc/26/91/85/887269185.db2.gz HXVKHJVJLCBBGF-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC001366049162 887269215 /nfs/dbraw/zinc/26/92/15/887269215.db2.gz XOZYGZJBJHEQBB-GHMZBOCLSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@H](CC(=O)N1CC[C@H](NCC(=O)N(C)C)C1)NC(N)=O ZINC001366094821 887269343 /nfs/dbraw/zinc/26/93/43/887269343.db2.gz NXLFVOGLHMIVDS-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)Cn1cncn1)C1CC1)C(N)=O ZINC001366063453 887269552 /nfs/dbraw/zinc/26/95/52/887269552.db2.gz XVTODWPOQZQJNX-WPRPVWTQSA-N 0 3 280.332 -1.364 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001366101734 887269657 /nfs/dbraw/zinc/26/96/57/887269657.db2.gz FRVUZBCBZORLDX-VIFPVBQESA-N 0 3 293.327 -1.336 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001366109493 887272230 /nfs/dbraw/zinc/27/22/30/887272230.db2.gz OCVCJKGMQLPZJD-KYZUINATSA-N 0 3 291.373 -1.596 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001366116965 887271332 /nfs/dbraw/zinc/27/13/32/887271332.db2.gz JLKDSPWQUVLHHY-IWSPIJDZSA-N 0 3 291.373 -1.598 20 0 CAADHN Cc1nc[nH]c1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001366107521 887272826 /nfs/dbraw/zinc/27/28/26/887272826.db2.gz TZTNMBLKTATVGJ-QMMMGPOBSA-N 0 3 294.315 -1.283 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N[C@@H]1CCNC1=O ZINC001366244886 887274632 /nfs/dbraw/zinc/27/46/32/887274632.db2.gz AWDSGKNUCVQAGS-JGVFFNPUSA-N 0 3 279.300 -1.221 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N[C@H]1CCNC1=O ZINC001366244903 887275707 /nfs/dbraw/zinc/27/57/07/887275707.db2.gz AWDSGKNUCVQAGS-YUMQZZPRSA-N 0 3 279.300 -1.221 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)N1CCCC1 ZINC001366247683 887277138 /nfs/dbraw/zinc/27/71/38/887277138.db2.gz DEPXJVOISVVIKM-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cncnc1 ZINC001366265497 887277790 /nfs/dbraw/zinc/27/77/90/887277790.db2.gz XBLGVXJWIMFKKY-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)NCC(=O)N1CCCC1 ZINC001366249354 887277855 /nfs/dbraw/zinc/27/78/55/887277855.db2.gz PTZLROSOSRNSMT-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@H](CNC(=O)C[C@H]1CCOC1)NCC(=O)NC(N)=O ZINC001366257248 887277911 /nfs/dbraw/zinc/27/79/11/887277911.db2.gz FLYFTYBHQHRKGR-RKDXNWHRSA-N 0 3 286.332 -1.298 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC001366255574 887278065 /nfs/dbraw/zinc/27/80/65/887278065.db2.gz KXMUSVYOPSBDJW-BDAKNGLRSA-N 0 3 288.348 -1.087 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)N[C@H](C)C(=O)N(C)C ZINC001366255596 887278098 /nfs/dbraw/zinc/27/80/98/887278098.db2.gz KXMUSVYOPSBDJW-RKDXNWHRSA-N 0 3 288.348 -1.087 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)CNC(=O)OC ZINC001366251295 887278495 /nfs/dbraw/zinc/27/84/95/887278495.db2.gz ARZPUSLQELPXFX-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001366269018 887278794 /nfs/dbraw/zinc/27/87/94/887278794.db2.gz MGNHLKJPOWRQBZ-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cnn(C)c1N ZINC001366258091 887278835 /nfs/dbraw/zinc/27/88/35/887278835.db2.gz FFTCYAVPICNYAO-JGVFFNPUSA-N 0 3 282.348 -1.155 20 0 CAADHN CO[C@@H](C)CC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001366253724 887278956 /nfs/dbraw/zinc/27/89/56/887278956.db2.gz AJIZCOQFAJVMLO-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001366252545 887279613 /nfs/dbraw/zinc/27/96/13/887279613.db2.gz OBTAQKJFRFPWME-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](C)NCCS(C)(=O)=O ZINC001366258389 887279700 /nfs/dbraw/zinc/27/97/00/887279700.db2.gz NWATUKDCYQCSJZ-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCn1cncn1 ZINC001366254195 887280323 /nfs/dbraw/zinc/28/03/23/887280323.db2.gz CZZFTIQPLODQFT-NXEZZACHSA-N 0 3 282.348 -1.103 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1)N[C@H]1CCCNC1=O ZINC001366258428 887279843 /nfs/dbraw/zinc/27/98/43/887279843.db2.gz FGKOYQPXSZKMPQ-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)N[C@H](C)C(=O)N(C)C ZINC001366255579 887280036 /nfs/dbraw/zinc/28/00/36/887280036.db2.gz KXMUSVYOPSBDJW-DTWKUNHWSA-N 0 3 288.348 -1.087 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)N1CCCC1 ZINC001366258693 887280131 /nfs/dbraw/zinc/28/01/31/887280131.db2.gz GNTNQWXDMMIPTB-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](C)NCCS(C)(=O)=O ZINC001366258394 887280726 /nfs/dbraw/zinc/28/07/26/887280726.db2.gz NWATUKDCYQCSJZ-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)[C@H]2CCC(=O)N2)n[nH]1 ZINC001366259014 887281214 /nfs/dbraw/zinc/28/12/14/887281214.db2.gz MEWLJADHBIIILO-IONNQARKSA-N 0 3 280.332 -1.014 20 0 CAADHN C[C@H](CNC(=O)CCn1cccn1)NCC(=O)NC(N)=O ZINC001366255718 887281404 /nfs/dbraw/zinc/28/14/04/887281404.db2.gz HXKKHOXGEXNDBS-SECBINFHSA-N 0 3 296.331 -1.438 20 0 CAADHN CO[C@H](C)CC(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001366253722 887281665 /nfs/dbraw/zinc/28/16/65/887281665.db2.gz AJIZCOQFAJVMLO-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN Cc1cnn(CC(=O)NC[C@H](C)NCC(=O)NC(N)=O)c1 ZINC001366261736 887281762 /nfs/dbraw/zinc/28/17/62/887281762.db2.gz OCGSSYPQQIWJRT-VIFPVBQESA-N 0 3 296.331 -1.519 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cocn1 ZINC001366255539 887281801 /nfs/dbraw/zinc/28/18/01/887281801.db2.gz HFHVNIJBMFRFJM-SSDOTTSWSA-N 0 3 283.288 -1.162 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCO1)NCC(=O)NC(N)=O ZINC001366255883 887281964 /nfs/dbraw/zinc/28/19/64/887281964.db2.gz WAEJFTNCMMFETE-HTQZYQBOSA-N 0 3 272.305 -1.545 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCOC1)NCC(=O)NC(N)=O ZINC001366257077 887282338 /nfs/dbraw/zinc/28/23/38/887282338.db2.gz IIGPZHALYHONMM-JGVFFNPUSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1)N[C@@H]1CCCNC1=O ZINC001366258433 887282435 /nfs/dbraw/zinc/28/24/35/887282435.db2.gz FGKOYQPXSZKMPQ-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001366269733 887282586 /nfs/dbraw/zinc/28/25/86/887282586.db2.gz YQDXOKDBPCEFKM-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1CCCO1)NCC(=O)NC(N)=O ZINC001366253933 887282614 /nfs/dbraw/zinc/28/26/14/887282614.db2.gz GQXKQJQAZPDXCH-IUCAKERBSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@H](CNC(=O)c1ccn[nH]1)NCC(=O)N1CCOCC1 ZINC001366264986 887282733 /nfs/dbraw/zinc/28/27/33/887282733.db2.gz VGWMLNRBEVLCFP-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001366252540 887282759 /nfs/dbraw/zinc/28/27/59/887282759.db2.gz OBTAQKJFRFPWME-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@H](CNC(=O)c1cnccn1)NCC(=O)NC(N)=O ZINC001366252016 887282909 /nfs/dbraw/zinc/28/29/09/887282909.db2.gz YLJUJRPDDAGKPT-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN C[C@H](CNC(=O)CS(C)(=O)=O)N[C@@H]1CCNC1=O ZINC001366255400 887282950 /nfs/dbraw/zinc/28/29/50/887282950.db2.gz FDEOAJHMPPLTCZ-HTQZYQBOSA-N 0 3 277.346 -1.986 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)N[C@@H]1CCN(C)C1=O ZINC001366270986 887283395 /nfs/dbraw/zinc/28/33/95/887283395.db2.gz CXDRXITWDHXKNS-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001366283923 887283602 /nfs/dbraw/zinc/28/36/02/887283602.db2.gz SWJGYQOKEULPSW-VIFPVBQESA-N 0 3 286.332 -2.315 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)NCC(=O)N1CCC1 ZINC001366274996 887283635 /nfs/dbraw/zinc/28/36/35/887283635.db2.gz NZTYCJJPRAULTA-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1=O)N[C@H](C)C(N)=O ZINC001366284024 887283673 /nfs/dbraw/zinc/28/36/73/887283673.db2.gz TYBMTJTYHZPLTO-RKDXNWHRSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)NCC(=O)NC1CC1 ZINC001366275725 887283746 /nfs/dbraw/zinc/28/37/46/887283746.db2.gz IHMDQUUMZOOEAJ-DTWKUNHWSA-N 0 3 299.375 -1.194 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC1CC1 ZINC001366289788 887283854 /nfs/dbraw/zinc/28/38/54/887283854.db2.gz WJYQKJZOYNZIIN-RKDXNWHRSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@H](CNC(=O)CN1CCCCC1=O)N[C@@H]1CCNC1=O ZINC001366294267 887284095 /nfs/dbraw/zinc/28/40/95/887284095.db2.gz FWFVQNPBSJBAJH-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N[C@H]1CCNC1=O ZINC001366285479 887284309 /nfs/dbraw/zinc/28/43/09/887284309.db2.gz XLNZEYWZBHJEHZ-IUCAKERBSA-N 0 3 293.327 -1.128 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ncc(OC)cn1 ZINC001366295734 887284370 /nfs/dbraw/zinc/28/43/70/887284370.db2.gz KVHJSXGXQGDXDJ-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1=O)N[C@@H]1CCNC1=O ZINC001366280665 887284909 /nfs/dbraw/zinc/28/49/09/887284909.db2.gz KCJRTGCTLDHVEX-NXEZZACHSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)N[C@@H]1CCN(C)C1=O ZINC001366270972 887284941 /nfs/dbraw/zinc/28/49/41/887284941.db2.gz CXDRXITWDHXKNS-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001366286261 887285152 /nfs/dbraw/zinc/28/51/52/887285152.db2.gz IBDYLOFNPCVEJQ-RKDXNWHRSA-N 0 3 295.343 -1.377 20 0 CAADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)NCC(N)=O ZINC001366285014 887285190 /nfs/dbraw/zinc/28/51/90/887285190.db2.gz SVVZHODISWYBSH-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CNC(=O)c1ccnc2n[nH]nc21)NCC(N)=O ZINC001366291144 887285275 /nfs/dbraw/zinc/28/52/75/887285275.db2.gz AMUFDWFNBZCEFM-ZCFIWIBFSA-N 0 3 277.288 -1.454 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(=O)N1CCC1 ZINC001366282626 887285308 /nfs/dbraw/zinc/28/53/08/887285308.db2.gz OFSCVNXNNFVIHM-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cc(OC)ncn1 ZINC001366272520 887285549 /nfs/dbraw/zinc/28/55/49/887285549.db2.gz FUDPOCRUBAOXQP-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001366286258 887285580 /nfs/dbraw/zinc/28/55/80/887285580.db2.gz IBDYLOFNPCVEJQ-BDAKNGLRSA-N 0 3 295.343 -1.377 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](C)NCC(=O)NC2CC2)C1 ZINC001366274188 887285653 /nfs/dbraw/zinc/28/56/53/887285653.db2.gz JBBKUODFYHUHMG-SECBINFHSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ncc(OC)cn1 ZINC001366295727 887285699 /nfs/dbraw/zinc/28/56/99/887285699.db2.gz KVHJSXGXQGDXDJ-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)NCC(=O)NC1CC1 ZINC001366275728 887286239 /nfs/dbraw/zinc/28/62/39/887286239.db2.gz IHMDQUUMZOOEAJ-IUCAKERBSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)NCC(N)=O ZINC001366285017 887286454 /nfs/dbraw/zinc/28/64/54/887286454.db2.gz SVVZHODISWYBSH-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CNC(=O)NC)C(N)=O ZINC001366291243 887286684 /nfs/dbraw/zinc/28/66/84/887286684.db2.gz YYLHABPOWRHWGK-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC1CC1 ZINC001366289784 887287500 /nfs/dbraw/zinc/28/75/00/887287500.db2.gz WJYQKJZOYNZIIN-BDAKNGLRSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(=O)N1CCC1 ZINC001366282632 887287532 /nfs/dbraw/zinc/28/75/32/887287532.db2.gz OFSCVNXNNFVIHM-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCCN1C(N)=O)NCC(N)=O ZINC001366349630 887288339 /nfs/dbraw/zinc/28/83/39/887288339.db2.gz WWFHNZSZQPLRLV-IUCAKERBSA-N 0 3 285.348 -1.501 20 0 CAADHN C[C@H](CNC(=O)[C@@]1(F)CCOC1)NCC(=O)NC(N)=O ZINC001366319804 887288542 /nfs/dbraw/zinc/28/85/42/887288542.db2.gz FYEHJXZBGRKCOX-RDDDGLTNSA-N 0 3 290.295 -1.596 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001366313154 887288707 /nfs/dbraw/zinc/28/87/07/887288707.db2.gz AZLHUNWXUXUAAP-MRVPVSSYSA-N 0 3 283.336 -1.557 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCCN1C(N)=O)NCC(N)=O ZINC001366349629 887288732 /nfs/dbraw/zinc/28/87/32/887288732.db2.gz WWFHNZSZQPLRLV-DTWKUNHWSA-N 0 3 285.348 -1.501 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@H](C)NC/C=C\Cl ZINC001366304565 887288872 /nfs/dbraw/zinc/28/88/72/887288872.db2.gz KMTXKTSZKAZGHO-TUUFMJSCSA-N 0 3 298.796 -1.113 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)CC(N)=O)NCC(=O)N1CCC1 ZINC001366313794 887289158 /nfs/dbraw/zinc/28/91/58/887289158.db2.gz WWFNSMUDYXZRFU-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001366309331 887289265 /nfs/dbraw/zinc/28/92/65/887289265.db2.gz UNEHFFDUYHVLBP-UWVGGRQHSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](CNC(=O)COCc1nccn1C)NCC(N)=O ZINC001366305232 887289833 /nfs/dbraw/zinc/28/98/33/887289833.db2.gz ZKZNGHCRJBIECP-SECBINFHSA-N 0 3 283.332 -1.484 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H](NC(C)=O)C(C)C ZINC001366354157 887289998 /nfs/dbraw/zinc/28/99/98/887289998.db2.gz PZQHQMDZZQBKQH-BXKDBHETSA-N 0 3 286.376 -1.013 20 0 CAADHN C[C@@H](CNC(=O)c1cnc2c(c1)nnn2C)NCC(N)=O ZINC001366316550 887290207 /nfs/dbraw/zinc/29/02/07/887290207.db2.gz RIJBYFAUQNWZKZ-ZETCQYMHSA-N 0 3 291.315 -1.444 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+]CC(=O)N1CCC1 ZINC001366348136 887290277 /nfs/dbraw/zinc/29/02/77/887290277.db2.gz SGRIQKWQNMBNPV-VIFPVBQESA-N 0 3 280.332 -1.326 20 0 CAADHN CCN(CC)C(=O)CN[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001366316711 887290498 /nfs/dbraw/zinc/29/04/98/887290498.db2.gz KMMKDFUTDHQNGB-VIFPVBQESA-N 0 3 297.363 -1.214 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001366327083 887290590 /nfs/dbraw/zinc/29/05/90/887290590.db2.gz USHAWLHNPCTNLP-LURJTMIESA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(=O)NC1CC1 ZINC001366314261 887290939 /nfs/dbraw/zinc/29/09/39/887290939.db2.gz CVUWJEVTVJFJSX-ONGXEEELSA-N 0 3 296.371 -1.020 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@H](C)NC/C=C/Cl ZINC001366304559 887291151 /nfs/dbraw/zinc/29/11/51/887291151.db2.gz KMTXKTSZKAZGHO-MPJRPATESA-N 0 3 298.796 -1.113 20 0 CAADHN C[C@@H](CNC(=O)CCn1cnnn1)N[C@@H](C)C(=O)N(C)C ZINC001366336780 887291834 /nfs/dbraw/zinc/29/18/34/887291834.db2.gz FEFXAWMJUVFWGL-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)N[C@@H]1CCN(C)C1=O ZINC001366337983 887291921 /nfs/dbraw/zinc/29/19/21/887291921.db2.gz AGYSPIFHCOODAR-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNC(=O)Cc1cnc[nH]1)NCc1nnnn1C ZINC001366350893 887291961 /nfs/dbraw/zinc/29/19/61/887291961.db2.gz QWXCJXANSJMQJN-QMMMGPOBSA-N 0 3 278.320 -1.230 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001366353739 887292150 /nfs/dbraw/zinc/29/21/50/887292150.db2.gz JTSYWQCDVJQGAH-MRVPVSSYSA-N 0 3 299.331 -2.231 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001366383892 887293096 /nfs/dbraw/zinc/29/30/96/887293096.db2.gz LGRRAZMUTVYYHM-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001366383244 887293501 /nfs/dbraw/zinc/29/35/01/887293501.db2.gz WRQDZEQEKYLQSF-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CCCS(=O)(=O)CC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001366363920 887293867 /nfs/dbraw/zinc/29/38/67/887293867.db2.gz ISQWVIGSWZMVHL-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)N[C@@H]1CCNC1=O ZINC001366372249 887293902 /nfs/dbraw/zinc/29/39/02/887293902.db2.gz NPUVWKLCDDXILQ-JGVFFNPUSA-N 0 3 271.321 -1.972 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)Cn2cncn2)C1)NC1CC1 ZINC001366390571 887294097 /nfs/dbraw/zinc/29/40/97/887294097.db2.gz VGOGSZVDEONYNK-NSHDSACASA-N 0 3 292.343 -1.253 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001366380386 887294521 /nfs/dbraw/zinc/29/45/21/887294521.db2.gz KQVDMZXIRAITBX-LBPRGKRZSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001366373267 887294546 /nfs/dbraw/zinc/29/45/46/887294546.db2.gz DNHORWVFLZGJIH-QWRGUYRKSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N[C@@H]1CCNC1=O ZINC001366372248 887294714 /nfs/dbraw/zinc/29/47/14/887294714.db2.gz NPUVWKLCDDXILQ-HTQZYQBOSA-N 0 3 271.321 -1.972 20 0 CAADHN C[C@@H](CNC(=O)COC[C@@H]1CCCO1)NCC(N)=O ZINC001366362566 887294749 /nfs/dbraw/zinc/29/47/49/887294749.db2.gz DPDLILBNZJGYAD-UWVGGRQHSA-N 0 3 273.333 -1.238 20 0 CAADHN Cc1nc(C)c(CC(=O)NC[C@@H](C)NCC(N)=O)c(=O)[nH]1 ZINC001366359866 887295068 /nfs/dbraw/zinc/29/50/68/887295068.db2.gz SPJCJESXHXTBKI-SSDOTTSWSA-N 0 3 295.343 -1.079 20 0 CAADHN CCCS(=O)(=O)CC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001366363934 887295760 /nfs/dbraw/zinc/29/57/60/887295760.db2.gz ISQWVIGSWZMVHL-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CCS(C)(=O)=O)C1)C(N)=O ZINC001366379895 887295794 /nfs/dbraw/zinc/29/57/94/887295794.db2.gz AMDOPHJNXNPRMP-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001366381972 887296239 /nfs/dbraw/zinc/29/62/39/887296239.db2.gz PUPOBJVZERKXGR-VIFPVBQESA-N 0 3 294.359 -1.058 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cc[nH]n2)C1)C(=O)NC(N)=O ZINC001366374733 887296289 /nfs/dbraw/zinc/29/62/89/887296289.db2.gz NOQJWKHVSJEJQU-YUMQZZPRSA-N 0 3 294.315 -1.203 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001366373275 887296498 /nfs/dbraw/zinc/29/64/98/887296498.db2.gz MOIGLUQZQHKSRU-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H](NC(C)=O)C(C)C ZINC001366354158 887296530 /nfs/dbraw/zinc/29/65/30/887296530.db2.gz PZQHQMDZZQBKQH-JOYOIKCWSA-N 0 3 286.376 -1.013 20 0 CAADHN Cc1nn(CC(=O)NC[C@@H](C)NCC(N)=O)c(=O)n1C ZINC001366357674 887296613 /nfs/dbraw/zinc/29/66/13/887296613.db2.gz OJCWATJENRMWIK-SSDOTTSWSA-N 0 3 284.320 -2.530 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[n-]1 ZINC001366360341 887296830 /nfs/dbraw/zinc/29/68/30/887296830.db2.gz UKDKQXOWLJCBLA-VHSXEESVSA-N 0 3 296.375 -1.346 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[n-]1 ZINC001366360341 887296851 /nfs/dbraw/zinc/29/68/51/887296851.db2.gz UKDKQXOWLJCBLA-VHSXEESVSA-N 0 3 296.375 -1.346 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[n-]1 ZINC001366360246 887297197 /nfs/dbraw/zinc/29/71/97/887297197.db2.gz UKDKQXOWLJCBLA-NXEZZACHSA-N 0 3 296.375 -1.346 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[n-]1 ZINC001366360246 887297213 /nfs/dbraw/zinc/29/72/13/887297213.db2.gz UKDKQXOWLJCBLA-NXEZZACHSA-N 0 3 296.375 -1.346 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2nnn(C)n2)C1)C(=O)N(C)C ZINC001366383497 887297241 /nfs/dbraw/zinc/29/72/41/887297241.db2.gz AQBKUEFVQUTWOS-IUCAKERBSA-N 0 3 295.347 -1.509 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NC[C@@H](C)NCC(N)=O ZINC001366356786 887297872 /nfs/dbraw/zinc/29/78/72/887297872.db2.gz CIFUDYRMFHMROR-HTQZYQBOSA-N 0 3 273.337 -1.597 20 0 CAADHN C[C@@H](C(=O)NC(N)=O)N(C)CCNC(=O)[C@@H]1CCCN1C ZINC001366520866 887302192 /nfs/dbraw/zinc/30/21/92/887302192.db2.gz SOFKOVBYBHGKSQ-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)CCN[C@@H](C)C(=O)NC ZINC001366771858 887334695 /nfs/dbraw/zinc/33/46/95/887334695.db2.gz AGZKXDZTLASZBF-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001366566567 887314980 /nfs/dbraw/zinc/31/49/80/887314980.db2.gz TZJAFWJZDDFMJE-DTWKUNHWSA-N 0 3 274.321 -2.277 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCN(C)CCO)C(N)=O ZINC001366569428 887315055 /nfs/dbraw/zinc/31/50/55/887315055.db2.gz CLTAXOJNBRHIKC-VIFPVBQESA-N 0 3 274.321 -2.593 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)C(C)(C)NC(C)=O ZINC001366573904 887317998 /nfs/dbraw/zinc/31/79/98/887317998.db2.gz IJWQELVFFPRBRR-NSHDSACASA-N 0 3 289.376 -1.044 20 0 CAADHN CCN(CCNC(=O)Cc1nnc[nH]1)[C@@H]1CCNC1=O ZINC001366640515 887322117 /nfs/dbraw/zinc/32/21/17/887322117.db2.gz YAURGGUPWBXLEY-SECBINFHSA-N 0 3 280.332 -1.326 20 0 CAADHN CCN(CCNC(=O)[C@@H]1COCCO1)C[C@@H](O)COC ZINC001366606523 887324422 /nfs/dbraw/zinc/32/44/22/887324422.db2.gz KTZWNEGQOCXJQG-NEPJUHHUSA-N 0 3 290.360 -1.153 20 0 CAADHN CNC(=O)CN1CC[C@@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001366685259 887328600 /nfs/dbraw/zinc/32/86/00/887328600.db2.gz WCPJNJHGQYQGFZ-JTQLQIEISA-N 0 3 294.359 -1.079 20 0 CAADHN CNC(=O)CN1CC[C@@H](CNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001366685935 887330382 /nfs/dbraw/zinc/33/03/82/887330382.db2.gz BYKKKCAVIAJWRA-JTQLQIEISA-N 0 3 294.359 -1.160 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)CNC(C)=O)C1 ZINC001366675163 887330692 /nfs/dbraw/zinc/33/06/92/887330692.db2.gz WKXZJEWKTSCKGC-GHMZBOCLSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NCCN(C)C(=O)COCc1ccnn1C)C(N)=O ZINC001366765419 887332397 /nfs/dbraw/zinc/33/23/97/887332397.db2.gz FUASGIXKXJLEJC-JTQLQIEISA-N 0 3 297.359 -1.142 20 0 CAADHN CCN1C[C@H](C(=O)N(C)CCN[C@@H](C)C(N)=O)CC1=O ZINC001366769970 887332826 /nfs/dbraw/zinc/33/28/26/887332826.db2.gz MMJOEASZFLSKEY-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](NCCN(C)C(=O)COCc1ccnn1C)C(N)=O ZINC001366765420 887333000 /nfs/dbraw/zinc/33/30/00/887333000.db2.gz FUASGIXKXJLEJC-SNVBAGLBSA-N 0 3 297.359 -1.142 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001366770779 887333757 /nfs/dbraw/zinc/33/37/57/887333757.db2.gz BNXPAMVLYLJZMA-ZJUUUORDSA-N 0 3 282.344 -1.456 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001366760017 887333677 /nfs/dbraw/zinc/33/36/77/887333677.db2.gz IBLNRHRVPDCIJZ-WDEREUQCSA-N 0 3 284.360 -1.747 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)Cn2cncn2)C1=O ZINC001366778941 887333894 /nfs/dbraw/zinc/33/38/94/887333894.db2.gz YCLNPNBKDQEESU-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H](C)NC(C)=O)C(N)=O ZINC001366758504 887334785 /nfs/dbraw/zinc/33/47/85/887334785.db2.gz CNVVUOMHGLEHGH-WCBMZHEXSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ncn(C)n1)C(=O)N(C)C ZINC001366769689 887334876 /nfs/dbraw/zinc/33/48/76/887334876.db2.gz NWZYVTZKQHTOTI-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001366772624 887335105 /nfs/dbraw/zinc/33/51/05/887335105.db2.gz CCSOERZXZVANFP-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1nnn(C(C)(C)C)n1)C(N)=O ZINC001366774952 887335137 /nfs/dbraw/zinc/33/51/37/887335137.db2.gz YHUBUQYELWZTBH-QMMMGPOBSA-N 0 3 297.363 -1.037 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001366775057 887336042 /nfs/dbraw/zinc/33/60/42/887336042.db2.gz LXNKFKKBJBGLNN-VIFPVBQESA-N 0 3 293.327 -1.336 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001366760006 887336117 /nfs/dbraw/zinc/33/61/17/887336117.db2.gz IBLNRHRVPDCIJZ-GHMZBOCLSA-N 0 3 284.360 -1.747 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001366778899 887336793 /nfs/dbraw/zinc/33/67/93/887336793.db2.gz VXMJLSNHPFEGND-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)CNC(=O)NC)C1=O ZINC001366764355 887336829 /nfs/dbraw/zinc/33/68/29/887336829.db2.gz BLTXXYBSWCXJPQ-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCCN(CCO)C1CC1 ZINC001366746851 887336885 /nfs/dbraw/zinc/33/68/85/887336885.db2.gz ILCMMNSLTVEOOJ-UHFFFAOYSA-N 0 3 284.360 -2.009 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@]1(C)CCNC(=O)C1)C(N)=O ZINC001366838926 887339795 /nfs/dbraw/zinc/33/97/95/887339795.db2.gz ZFPIXQSAFWKWFX-RNCFNFMXSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)CCNC(N)=O)C1 ZINC001366858198 887341348 /nfs/dbraw/zinc/34/13/48/887341348.db2.gz RVMNPVIYZHCEAC-NXEZZACHSA-N 0 3 299.375 -1.253 20 0 CAADHN NC(=O)c1ncn(CC(=O)NCC2CN(CCCF)C2)n1 ZINC001366966160 887350055 /nfs/dbraw/zinc/35/00/55/887350055.db2.gz DPMUKNRUCJVLFX-UHFFFAOYSA-N 0 3 298.322 -1.215 20 0 CAADHN CCC(=O)NCC(=O)NCC1CN(C[C@H](O)COC)C1 ZINC001366960126 887350157 /nfs/dbraw/zinc/35/01/57/887350157.db2.gz DNPXHIKYPSMUNI-NSHDSACASA-N 0 3 287.360 -1.432 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001366960944 887352372 /nfs/dbraw/zinc/35/23/72/887352372.db2.gz GRFQIQPMJLVWAT-ZYHUDNBSSA-N 0 3 297.359 -1.106 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001366970835 887352659 /nfs/dbraw/zinc/35/26/59/887352659.db2.gz MODNFNLGFBDMJL-NWDGAFQWSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001366969781 887352783 /nfs/dbraw/zinc/35/27/83/887352783.db2.gz BQKIWNSVZLCBAI-MWLCHTKSSA-N 0 3 287.360 -1.447 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001366982192 887355517 /nfs/dbraw/zinc/35/55/17/887355517.db2.gz DCUWZLKENHLUTI-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)Cn2cncn2)C1 ZINC001366988007 887356126 /nfs/dbraw/zinc/35/61/26/887356126.db2.gz FYYQMZNCODSXTL-LLVKDONJSA-N 0 3 283.332 -1.667 20 0 CAADHN Cc1nn(CC(=O)NCC2CN(C[C@H](C)O)C2)c(=O)n1C ZINC001366994040 887357025 /nfs/dbraw/zinc/35/70/25/887357025.db2.gz XCBVFSPCGSTGLC-VIFPVBQESA-N 0 3 297.359 -1.681 20 0 CAADHN C[C@@H](O)CCCN1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001366975928 887358577 /nfs/dbraw/zinc/35/85/77/887358577.db2.gz LVTPVNUHOVQPTF-MWLCHTKSSA-N 0 3 284.360 -1.123 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001367032180 887362230 /nfs/dbraw/zinc/36/22/30/887362230.db2.gz HPXBKXZHWOFDTI-PSASIEDQSA-N 0 3 280.332 -1.198 20 0 CAADHN CS(=O)(=O)NCCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001367029400 887362762 /nfs/dbraw/zinc/36/27/62/887362762.db2.gz BWRCVCCWEZUECR-SECBINFHSA-N 0 3 279.362 -1.892 20 0 CAADHN CCC(=O)NCC(=O)N[C@H]1CCN(C[C@H](O)COC)C1 ZINC001367007032 887363075 /nfs/dbraw/zinc/36/30/75/887363075.db2.gz BUKQIWPPUQCCIF-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001367033352 887363122 /nfs/dbraw/zinc/36/31/22/887363122.db2.gz PDSFWKNYAVCMOB-YTWAJWBKSA-N 0 3 285.344 -1.694 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001367019021 887363556 /nfs/dbraw/zinc/36/35/56/887363556.db2.gz NFMHYXBCXHIIAZ-MNOVXSKESA-N 0 3 297.359 -1.097 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001367006739 887363637 /nfs/dbraw/zinc/36/36/37/887363637.db2.gz OTIRRAHDORBICV-STQMWFEESA-N 0 3 299.371 -1.338 20 0 CAADHN CN(C(=O)CCn1ncn(C)c1=O)[C@H]1CCN(CCO)C1 ZINC001367048756 887364764 /nfs/dbraw/zinc/36/47/64/887364764.db2.gz GMTBQCBSOQLKBZ-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N1CCC1 ZINC001367124492 887364831 /nfs/dbraw/zinc/36/48/31/887364831.db2.gz IIJZOZOZSIDIMW-MXWKQRLJSA-N 0 3 296.371 -1.176 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCCC(=O)N1)NCC(=O)NC ZINC001367102190 887364879 /nfs/dbraw/zinc/36/48/79/887364879.db2.gz NEHYELUMONZVKD-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)NCC(=O)NC ZINC001367086861 887365598 /nfs/dbraw/zinc/36/55/98/887365598.db2.gz GTGWQZXXMWUFHJ-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)NCC(N)=O ZINC001367117891 887365840 /nfs/dbraw/zinc/36/58/40/887365840.db2.gz VHANGTYPUNOKBF-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](CNC(=O)c1cnn(C)c1N)N[C@H]1CCNC1=O ZINC001367095552 887365875 /nfs/dbraw/zinc/36/58/75/887365875.db2.gz DZCUDOPJKRRWPX-SCZZXKLOSA-N 0 3 294.359 -1.011 20 0 CAADHN CC[C@@H](CNC(=O)c1ncc[nH]1)NCC(=O)NC(=O)NC ZINC001367107032 887366241 /nfs/dbraw/zinc/36/62/41/887366241.db2.gz UWIROBODGDWGMA-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N(C)C ZINC001367121096 887366555 /nfs/dbraw/zinc/36/65/55/887366555.db2.gz AXUTZDWTZDFILW-AEJSXWLSSA-N 0 3 284.360 -1.320 20 0 CAADHN CC[C@@H](CNC(=O)c1cnn(C)c1N)N[C@H]1CCNC1=O ZINC001367095557 887366753 /nfs/dbraw/zinc/36/67/53/887366753.db2.gz DZCUDOPJKRRWPX-WPRPVWTQSA-N 0 3 294.359 -1.011 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001367063866 887366788 /nfs/dbraw/zinc/36/67/88/887366788.db2.gz RKUUKODITFNGCC-VXGBXAGGSA-N 0 3 297.359 -1.182 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001367056332 887366914 /nfs/dbraw/zinc/36/69/14/887366914.db2.gz WDEATJLUUPGQDG-ZJUUUORDSA-N 0 3 283.332 -1.042 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)NCC(N)=O ZINC001367110277 887367213 /nfs/dbraw/zinc/36/72/13/887367213.db2.gz PDXRKRWBVCXKDT-JTQLQIEISA-N 0 3 299.375 -2.270 20 0 CAADHN CC[C@H](CNC(=O)CN1CCOCC1)N[C@@H]1CCNC1=O ZINC001367106983 887367716 /nfs/dbraw/zinc/36/77/16/887367716.db2.gz XLZSFLZCROKMGW-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N(C)C ZINC001367121101 887367895 /nfs/dbraw/zinc/36/78/95/887367895.db2.gz AXUTZDWTZDFILW-BBBLOLIVSA-N 0 3 284.360 -1.320 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCC(=O)NC1)NCC(N)=O ZINC001367117887 887368039 /nfs/dbraw/zinc/36/80/39/887368039.db2.gz VHANGTYPUNOKBF-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)NCC(=O)NC ZINC001367108339 887368218 /nfs/dbraw/zinc/36/82/18/887368218.db2.gz KHRGJGFSCRUJMS-VIFPVBQESA-N 0 3 298.347 -2.188 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncn(C)c1=O)NCC(=O)NC ZINC001367108328 887368336 /nfs/dbraw/zinc/36/83/36/887368336.db2.gz KHRGJGFSCRUJMS-SECBINFHSA-N 0 3 298.347 -2.188 20 0 CAADHN CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cc1nnc[n-]1 ZINC001367278191 887374026 /nfs/dbraw/zinc/37/40/26/887374026.db2.gz KCAHGLQMAXZXJS-VIFPVBQESA-N 0 3 282.348 -1.175 20 0 CAADHN Cc1nc(CNC[C@@H](C)N(C)C(=O)Cn2cnnn2)n[nH]1 ZINC001367338582 887375372 /nfs/dbraw/zinc/37/53/72/887375372.db2.gz AGKWQAIZSDUKEE-MRVPVSSYSA-N 0 3 293.335 -1.264 20 0 CAADHN Cc1nc(CNC[C@H](C)N(C)C(=O)Cn2ncnn2)n[nH]1 ZINC001367350517 887376540 /nfs/dbraw/zinc/37/65/40/887376540.db2.gz KGUSHSWDUBIKBM-QMMMGPOBSA-N 0 3 293.335 -1.264 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)Cn1cnnn1 ZINC001367351122 887376816 /nfs/dbraw/zinc/37/68/16/887376816.db2.gz XKXLHQDZOMLABO-VIFPVBQESA-N 0 3 295.347 -1.612 20 0 CAADHN CO[C@@H](C)C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001367344897 887376882 /nfs/dbraw/zinc/37/68/82/887376882.db2.gz LPTWGMDKWRLFAS-SFYZADRCSA-N 0 3 274.321 -1.347 20 0 CAADHN Cc1nc(CNC[C@@H](C)N(C)C(=O)Cn2ncnn2)n[nH]1 ZINC001367350511 887377954 /nfs/dbraw/zinc/37/79/54/887377954.db2.gz KGUSHSWDUBIKBM-MRVPVSSYSA-N 0 3 293.335 -1.264 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001367338642 887378171 /nfs/dbraw/zinc/37/81/71/887378171.db2.gz BHSJENZXWOSWJY-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@@H](C)CN[C@H]2CCNC2=O)[nH]1 ZINC001367343647 887378472 /nfs/dbraw/zinc/37/84/72/887378472.db2.gz MNXXQMHIOSOIGG-WPRPVWTQSA-N 0 3 294.359 -1.019 20 0 CAADHN COCC(=O)NCC1(NCC(=O)NC(N)=O)CCCC1 ZINC001367312459 887378528 /nfs/dbraw/zinc/37/85/28/887378528.db2.gz VHUYYLFUOPPFIG-UHFFFAOYSA-N 0 3 286.332 -1.154 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CNC(=O)C1CC1 ZINC001367346300 887378601 /nfs/dbraw/zinc/37/86/01/887378601.db2.gz MYXNTNQSQZYXEO-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCC(N)=O ZINC001367466685 887379690 /nfs/dbraw/zinc/37/96/90/887379690.db2.gz RQNWPKMSAXSTRQ-HTQZYQBOSA-N 0 3 272.305 -1.690 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001367378450 887379772 /nfs/dbraw/zinc/37/97/72/887379772.db2.gz SFVWYCCSHGYQBC-UWVGGRQHSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1nc2ncccn2n1 ZINC001367393108 887379859 /nfs/dbraw/zinc/37/98/59/887379859.db2.gz RTCSDBKAWDNTIY-MRVPVSSYSA-N 0 3 291.315 -1.340 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CCn1cnnn1 ZINC001367399135 887379884 /nfs/dbraw/zinc/37/98/84/887379884.db2.gz RLHMBNGJROPXKQ-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001367389566 887379969 /nfs/dbraw/zinc/37/99/69/887379969.db2.gz ZDLAEWFFOBCMLE-AEJSXWLSSA-N 0 3 284.360 -1.368 20 0 CAADHN Cc1nc(C(=O)N(C)[C@H](C)CNCC(N)=O)c(=O)[nH]c1C ZINC001367369447 887380347 /nfs/dbraw/zinc/38/03/47/887380347.db2.gz VXEHITNBPLKUIQ-SSDOTTSWSA-N 0 3 295.343 -1.078 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001367378449 887380469 /nfs/dbraw/zinc/38/04/69/887380469.db2.gz SFVWYCCSHGYQBC-NXEZZACHSA-N 0 3 299.375 -1.371 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H](C)NC(N)=O)NCC(N)=O ZINC001367468489 887380527 /nfs/dbraw/zinc/38/05/27/887380527.db2.gz XEENRJYNZNJKIX-JGVFFNPUSA-N 0 3 273.337 -1.741 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@H](C)CN[C@H]1CCNC1=O ZINC001367356038 887380847 /nfs/dbraw/zinc/38/08/47/887380847.db2.gz JIXJPNMMXDQYBS-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001367412691 887381202 /nfs/dbraw/zinc/38/12/02/887381202.db2.gz KCUNBMGPHOVBHN-SECBINFHSA-N 0 3 297.359 -1.480 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001367414118 887381297 /nfs/dbraw/zinc/38/12/97/887381297.db2.gz ZBOSUMQWUFJRLP-MRVPVSSYSA-N 0 3 294.377 -2.200 20 0 CAADHN Cc1nc(C(=O)N(C)[C@@H](C)CNCC(N)=O)c(=O)[nH]c1C ZINC001367369450 887381368 /nfs/dbraw/zinc/38/13/68/887381368.db2.gz VXEHITNBPLKUIQ-ZETCQYMHSA-N 0 3 295.343 -1.078 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)Cn1ncn(C)c1=O ZINC001367371115 887381403 /nfs/dbraw/zinc/38/14/03/887381403.db2.gz SKAPTYDCUBHSCH-SECBINFHSA-N 0 3 298.347 -2.236 20 0 CAADHN CC(C)[C@@H](CNC(=O)CCn1cncn1)NCC(N)=O ZINC001367461318 887381484 /nfs/dbraw/zinc/38/14/84/887381484.db2.gz QSFYGVXPYDBZBF-SNVBAGLBSA-N 0 3 282.348 -1.116 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001367388621 887382180 /nfs/dbraw/zinc/38/21/80/887382180.db2.gz ZROVNNPJLUXTTB-MRBYEJRBSA-N 0 3 299.371 -1.040 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001367412693 887382249 /nfs/dbraw/zinc/38/22/49/887382249.db2.gz KCUNBMGPHOVBHN-VIFPVBQESA-N 0 3 297.359 -1.480 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@@H](C)CN[C@@H]1CCNC1=O ZINC001367356035 887382296 /nfs/dbraw/zinc/38/22/96/887382296.db2.gz JIXJPNMMXDQYBS-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(N)=O ZINC001367466694 887382337 /nfs/dbraw/zinc/38/23/37/887382337.db2.gz RQNWPKMSAXSTRQ-YUMQZZPRSA-N 0 3 272.305 -1.690 20 0 CAADHN CNC(=O)CNC[C@@H](CC(C)C)NC(=O)c1nnn(C)n1 ZINC001367411921 887382608 /nfs/dbraw/zinc/38/26/08/887382608.db2.gz IUOVNVCDDVRXOT-SECBINFHSA-N 0 3 297.363 -1.310 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccn2nnnc2c1 ZINC001367384788 887382846 /nfs/dbraw/zinc/38/28/46/887382846.db2.gz RDCGDYDYSYLWKP-QMMMGPOBSA-N 0 3 291.315 -1.340 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H](C)NC(N)=O)NCC(N)=O ZINC001367468493 887382903 /nfs/dbraw/zinc/38/29/03/887382903.db2.gz XEENRJYNZNJKIX-YUMQZZPRSA-N 0 3 273.337 -1.741 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C(C)C ZINC001367476307 887383087 /nfs/dbraw/zinc/38/30/87/887383087.db2.gz AQXJPTURBAMHDX-OUAUKWLOSA-N 0 3 298.387 -1.026 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001367533480 887383729 /nfs/dbraw/zinc/38/37/29/887383729.db2.gz IHHKVQAVKWTISK-IUCAKERBSA-N 0 3 286.332 -1.645 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001367529345 887383773 /nfs/dbraw/zinc/38/37/73/887383773.db2.gz OIRXPHXQNJJUQT-NSHDSACASA-N 0 3 295.343 -1.252 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1CCC(=O)NC1)NCC(N)=O ZINC001367495660 887384577 /nfs/dbraw/zinc/38/45/77/887384577.db2.gz YABZLKDELLYADK-UWVGGRQHSA-N 0 3 284.360 -1.272 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1nnn(C)n1)C(C)C ZINC001367488900 887385563 /nfs/dbraw/zinc/38/55/63/887385563.db2.gz VKAYVTBQJGTODU-MRVPVSSYSA-N 0 3 283.336 -1.700 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001367538808 887385700 /nfs/dbraw/zinc/38/57/00/887385700.db2.gz YDMAXQJSVPZRMK-ZJUUUORDSA-N 0 3 288.348 -1.935 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001367560555 887386271 /nfs/dbraw/zinc/38/62/71/887386271.db2.gz AWRHUSXQOJDSRH-NXEZZACHSA-N 0 3 286.332 -2.580 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)NCC(N)=O ZINC001367495656 887388319 /nfs/dbraw/zinc/38/83/19/887388319.db2.gz YABZLKDELLYADK-NXEZZACHSA-N 0 3 284.360 -1.272 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccon1)NC1CC1 ZINC001367567256 887389264 /nfs/dbraw/zinc/38/92/64/887389264.db2.gz MGASCMAGJXFCLT-SECBINFHSA-N 0 3 282.300 -1.367 20 0 CAADHN Cc1nnsc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001367561263 887389123 /nfs/dbraw/zinc/38/91/23/887389123.db2.gz AOCKIRYRKZNGFL-YUMQZZPRSA-N 0 3 299.356 -1.585 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1ccccc1[O-] ZINC001367569204 887389200 /nfs/dbraw/zinc/38/92/00/887389200.db2.gz IPNRAPXPIDDXRW-SECBINFHSA-N 0 3 281.312 -1.182 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(C)n1C ZINC001367561444 887389568 /nfs/dbraw/zinc/38/95/68/887389568.db2.gz AWQMOGQXRFMTDI-JTQLQIEISA-N 0 3 282.344 -1.240 20 0 CAADHN CC(F)(F)C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001367564345 887389743 /nfs/dbraw/zinc/38/97/43/887389743.db2.gz NIHZHUVIGICYDM-YUMQZZPRSA-N 0 3 279.287 -1.013 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C(C)C ZINC001367567623 887389867 /nfs/dbraw/zinc/38/98/67/887389867.db2.gz GPHLJWMFUGTTOC-RKDXNWHRSA-N 0 3 288.348 -1.447 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCCO1)N1CCCC1 ZINC001367564844 887389900 /nfs/dbraw/zinc/38/99/00/887389900.db2.gz CEVPZIDNRAZDFJ-RYUDHWBXSA-N 0 3 299.371 -1.146 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CC[C@H]1CCCO1 ZINC001367568976 887390083 /nfs/dbraw/zinc/39/00/83/887390083.db2.gz PFJMRUKWOGQZDW-NXEZZACHSA-N 0 3 273.333 -1.502 20 0 CAADHN CC(F)(F)C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001367564341 887390234 /nfs/dbraw/zinc/39/02/34/887390234.db2.gz NIHZHUVIGICYDM-SFYZADRCSA-N 0 3 279.287 -1.013 20 0 CAADHN CCCC(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC(=O)NC ZINC001367560735 887390256 /nfs/dbraw/zinc/39/02/56/887390256.db2.gz BXXPXSLBOQIGAF-DTWKUNHWSA-N 0 3 288.348 -1.303 20 0 CAADHN Cn1cccc1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001367567628 887390316 /nfs/dbraw/zinc/39/03/16/887390316.db2.gz GVFQYAUEVIJJNY-GHMZBOCLSA-N 0 3 294.355 -1.016 20 0 CAADHN CCO[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001367568877 887390375 /nfs/dbraw/zinc/39/03/75/887390375.db2.gz OZACSVVYIIOCAL-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001367567541 887390591 /nfs/dbraw/zinc/39/05/91/887390591.db2.gz GOCBHBRWEOTVHX-LLVKDONJSA-N 0 3 296.327 -1.125 20 0 CAADHN CC(F)(F)C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001367564336 887390619 /nfs/dbraw/zinc/39/06/19/887390619.db2.gz NIHZHUVIGICYDM-JGVFFNPUSA-N 0 3 279.287 -1.013 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cncnc1C ZINC001367564265 887390649 /nfs/dbraw/zinc/39/06/49/887390649.db2.gz GPMXRZUMVUOKLK-VHSXEESVSA-N 0 3 295.343 -1.400 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C(C)C ZINC001367567620 887390684 /nfs/dbraw/zinc/39/06/84/887390684.db2.gz GPHLJWMFUGTTOC-BDAKNGLRSA-N 0 3 288.348 -1.447 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cnccn1 ZINC001367562394 887390714 /nfs/dbraw/zinc/39/07/14/887390714.db2.gz FJVVCZLHCYMFCB-BDAKNGLRSA-N 0 3 279.300 -1.955 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnccn1)N1CCC1 ZINC001367562687 887390774 /nfs/dbraw/zinc/39/07/74/887390774.db2.gz FTDSNIYJAPUXGF-SNVBAGLBSA-N 0 3 293.327 -1.611 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCCO1)N1CCCC1 ZINC001367564840 887390918 /nfs/dbraw/zinc/39/09/18/887390918.db2.gz CEVPZIDNRAZDFJ-NEPJUHHUSA-N 0 3 299.371 -1.146 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCCO1)N1CCCC1 ZINC001367564842 887390975 /nfs/dbraw/zinc/39/09/75/887390975.db2.gz CEVPZIDNRAZDFJ-NWDGAFQWSA-N 0 3 299.371 -1.146 20 0 CAADHN Cn1cccc1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001367567629 887391093 /nfs/dbraw/zinc/39/10/93/887391093.db2.gz GVFQYAUEVIJJNY-MNOVXSKESA-N 0 3 294.355 -1.016 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)COCC2CC2)C1=O ZINC001367565432 887391121 /nfs/dbraw/zinc/39/11/21/887391121.db2.gz IUNAJCMFFWRPMK-NEPJUHHUSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(C)n1C ZINC001367561448 887391149 /nfs/dbraw/zinc/39/11/49/887391149.db2.gz AWQMOGQXRFMTDI-SNVBAGLBSA-N 0 3 282.344 -1.240 20 0 CAADHN Cn1cccc1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001367567630 887391839 /nfs/dbraw/zinc/39/18/39/887391839.db2.gz GVFQYAUEVIJJNY-QWRGUYRKSA-N 0 3 294.355 -1.016 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccn[nH]1)N1CCC1 ZINC001367563189 887391961 /nfs/dbraw/zinc/39/19/61/887391961.db2.gz DLYHOTBSNISGJA-SECBINFHSA-N 0 3 281.316 -1.678 20 0 CAADHN Cn1cccc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001367564866 887392134 /nfs/dbraw/zinc/39/21/34/887392134.db2.gz BQLJUMYNVCCVAL-ZJUUUORDSA-N 0 3 280.328 -1.406 20 0 CAADHN CCO[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001367568882 887392572 /nfs/dbraw/zinc/39/25/72/887392572.db2.gz OZACSVVYIIOCAL-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001367565646 887392429 /nfs/dbraw/zinc/39/24/29/887392429.db2.gz JBELYKZVHSJYIY-SNVBAGLBSA-N 0 3 288.348 -2.380 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)COCC2CC2)C1=O ZINC001367565440 887392454 /nfs/dbraw/zinc/39/24/54/887392454.db2.gz IUNAJCMFFWRPMK-RYUDHWBXSA-N 0 3 299.371 -1.290 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cnccn1 ZINC001367562397 887392617 /nfs/dbraw/zinc/39/26/17/887392617.db2.gz FJVVCZLHCYMFCB-DTWKUNHWSA-N 0 3 279.300 -1.955 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C1CC1 ZINC001367564501 887392758 /nfs/dbraw/zinc/39/27/58/887392758.db2.gz NTOYSLNTVJVVOG-SECBINFHSA-N 0 3 286.332 -1.691 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccc(F)cn1 ZINC001367576682 887393486 /nfs/dbraw/zinc/39/34/86/887393486.db2.gz RAKSEDHRDGKVEV-JTQLQIEISA-N 0 3 298.318 -1.011 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)COC(C)(C)C)C(N)=O ZINC001367575999 887393543 /nfs/dbraw/zinc/39/35/43/887393543.db2.gz PEWJTBXRHSZQSR-IUCAKERBSA-N 0 3 275.349 -1.258 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCCCO1 ZINC001367571988 887394256 /nfs/dbraw/zinc/39/42/56/887394256.db2.gz SCQMGUOGOJUERU-UWVGGRQHSA-N 0 3 273.333 -1.502 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ocnc1C ZINC001367576053 887394348 /nfs/dbraw/zinc/39/43/48/887394348.db2.gz ATVOMNLHDNQLBH-IUCAKERBSA-N 0 3 284.316 -1.202 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)CNC(C)=O)C(N)=O ZINC001367570088 887394539 /nfs/dbraw/zinc/39/45/39/887394539.db2.gz WIBAJHYKAHUJMA-IUCAKERBSA-N 0 3 274.321 -2.547 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001367575391 887395014 /nfs/dbraw/zinc/39/50/14/887395014.db2.gz QHQNNXYDOCZPCU-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](O)CNCc1ccnn1C ZINC001367574478 887395093 /nfs/dbraw/zinc/39/50/93/887395093.db2.gz ZRRSEZJDKAPZFS-SNVBAGLBSA-N 0 3 299.331 -1.657 20 0 CAADHN CCOCC(=O)NC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001367570775 887395165 /nfs/dbraw/zinc/39/51/65/887395165.db2.gz KSOJUALBDVIKQC-SECBINFHSA-N 0 3 271.321 -1.284 20 0 CAADHN CCc1ocnc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001367575984 887395751 /nfs/dbraw/zinc/39/57/51/887395751.db2.gz AOYULTPBBVUOEA-MRVPVSSYSA-N 0 3 284.316 -1.337 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)on1 ZINC001367577728 887395772 /nfs/dbraw/zinc/39/57/72/887395772.db2.gz UOXBGGVXULVTTL-LURJTMIESA-N 0 3 272.261 -2.151 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)CC(C)(C)O)n[nH]1 ZINC001367576485 887395802 /nfs/dbraw/zinc/39/58/02/887395802.db2.gz FLMYTYPOVAEQPN-VIFPVBQESA-N 0 3 285.348 -1.159 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001367572556 887396632 /nfs/dbraw/zinc/39/66/32/887396632.db2.gz AWJURMQEXURMCN-JTQLQIEISA-N 0 3 297.359 -1.075 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCn1ccnn1 ZINC001367576905 887396707 /nfs/dbraw/zinc/39/67/07/887396707.db2.gz GIAGKLCNZCCXEK-SECBINFHSA-N 0 3 284.320 -2.519 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCOC1)NCC1CC1 ZINC001367576601 887396815 /nfs/dbraw/zinc/39/68/15/887396815.db2.gz AMHITEAZKQGWOF-VXGBXAGGSA-N 0 3 299.371 -1.384 20 0 CAADHN Cn1nncc1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001367573282 887396860 /nfs/dbraw/zinc/39/68/60/887396860.db2.gz APECZPNFDIPAMB-IUCAKERBSA-N 0 3 296.331 -2.226 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccc[nH]1)NC1CC1 ZINC001367571056 887397032 /nfs/dbraw/zinc/39/70/32/887397032.db2.gz VUWSITDKWZUKRE-SNVBAGLBSA-N 0 3 280.328 -1.026 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)COC(C)(C)C)C(N)=O ZINC001367575997 887397051 /nfs/dbraw/zinc/39/70/51/887397051.db2.gz PEWJTBXRHSZQSR-DTWKUNHWSA-N 0 3 275.349 -1.258 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)CC(C)(C)O)C1=O ZINC001367578238 887397112 /nfs/dbraw/zinc/39/71/12/887397112.db2.gz HVQBXNCZEUJCJR-VHSXEESVSA-N 0 3 287.360 -1.555 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCOC1)NCC1CC1 ZINC001367576596 887397136 /nfs/dbraw/zinc/39/71/36/887397136.db2.gz AMHITEAZKQGWOF-NWDGAFQWSA-N 0 3 299.371 -1.384 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)[C@@H]2COC(=O)N2)cn1 ZINC001367584672 887397833 /nfs/dbraw/zinc/39/78/33/887397833.db2.gz QFGJNXASKQGKQR-UWVGGRQHSA-N 0 3 297.315 -1.905 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1)N1CCC1 ZINC001367583472 887398206 /nfs/dbraw/zinc/39/82/06/887398206.db2.gz QPCBNDKOIMVHEM-NXEZZACHSA-N 0 3 298.343 -2.436 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001367581149 887398476 /nfs/dbraw/zinc/39/84/76/887398476.db2.gz LMZHSWCKMJFNJR-YUMQZZPRSA-N 0 3 288.304 -2.702 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001367581127 887398651 /nfs/dbraw/zinc/39/86/51/887398651.db2.gz LMZHSWCKMJFNJR-JGVFFNPUSA-N 0 3 288.304 -2.702 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C(C)C ZINC001367579162 887398720 /nfs/dbraw/zinc/39/87/20/887398720.db2.gz VALPAIKBEGXJQU-QMMMGPOBSA-N 0 3 274.321 -1.835 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1cccnc1)C(N)=O ZINC001367581721 887398751 /nfs/dbraw/zinc/39/87/51/887398751.db2.gz MKXKVKREKZJISV-RYUDHWBXSA-N 0 3 294.355 -1.045 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1cccnc1 ZINC001367584910 887398807 /nfs/dbraw/zinc/39/88/07/887398807.db2.gz QQSGTWLDGFSOQQ-JQWIXIFHSA-N 0 3 294.355 -1.175 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001367581293 887398902 /nfs/dbraw/zinc/39/89/02/887398902.db2.gz GZYGQCVNJSUFND-SFYZADRCSA-N 0 3 295.361 -2.638 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1cccnc1)C(N)=O ZINC001367581723 887398916 /nfs/dbraw/zinc/39/89/16/887398916.db2.gz MKXKVKREKZJISV-VXGBXAGGSA-N 0 3 294.355 -1.045 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1cccnc1 ZINC001367584898 887398973 /nfs/dbraw/zinc/39/89/73/887398973.db2.gz QQSGTWLDGFSOQQ-CMPLNLGQSA-N 0 3 294.355 -1.175 20 0 CAADHN COC[C@H](C)C(=O)NC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001367578650 887399564 /nfs/dbraw/zinc/39/95/64/887399564.db2.gz JKQBVRGZLSGEDZ-WCBMZHEXSA-N 0 3 285.348 -1.038 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1cccnc1)C(N)=O ZINC001367581718 887399641 /nfs/dbraw/zinc/39/96/41/887399641.db2.gz MKXKVKREKZJISV-NWDGAFQWSA-N 0 3 294.355 -1.045 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1cccnc1 ZINC001367584920 887399963 /nfs/dbraw/zinc/39/99/63/887399963.db2.gz QQSGTWLDGFSOQQ-PWSUYJOCSA-N 0 3 294.355 -1.175 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1cccnc1)C(N)=O ZINC001367581714 887400059 /nfs/dbraw/zinc/40/00/59/887400059.db2.gz MKXKVKREKZJISV-NEPJUHHUSA-N 0 3 294.355 -1.045 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001367581138 887400518 /nfs/dbraw/zinc/40/05/18/887400518.db2.gz LMZHSWCKMJFNJR-SFYZADRCSA-N 0 3 288.304 -2.702 20 0 CAADHN CCc1ncsc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001367584251 887400706 /nfs/dbraw/zinc/40/07/06/887400706.db2.gz QLIZQQISPLBWFM-ZETCQYMHSA-N 0 3 286.357 -1.129 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CNCc2ccnn2C)n1 ZINC001367583608 887400724 /nfs/dbraw/zinc/40/07/24/887400724.db2.gz MKRJOAGCOYODOB-JTQLQIEISA-N 0 3 293.331 -1.571 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccnn1C)C(=O)N(C)C ZINC001367580866 887400796 /nfs/dbraw/zinc/40/07/96/887400796.db2.gz GFYTUQWMHOIHAK-ZJUUUORDSA-N 0 3 297.359 -1.423 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001367581299 887400923 /nfs/dbraw/zinc/40/09/23/887400923.db2.gz GZYGQCVNJSUFND-YUMQZZPRSA-N 0 3 295.361 -2.638 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)[nH]n1 ZINC001367585327 887402105 /nfs/dbraw/zinc/40/21/05/887402105.db2.gz MDHZRBSYFJODFI-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN Cc1ccn(C[C@H](C)C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001367590309 887402206 /nfs/dbraw/zinc/40/22/06/887402206.db2.gz NRRHUSKMPKOGAI-GXSJLCMTSA-N 0 3 297.359 -1.620 20 0 CAADHN Cc1cnccc1CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001367588120 887402308 /nfs/dbraw/zinc/40/23/08/887402308.db2.gz ZEPLKJDWXCDTPS-ZYHUDNBSSA-N 0 3 294.355 -1.127 20 0 CAADHN Cc1cnccc1CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001367588119 887402335 /nfs/dbraw/zinc/40/23/35/887402335.db2.gz ZEPLKJDWXCDTPS-PWSUYJOCSA-N 0 3 294.355 -1.127 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001367591007 887402353 /nfs/dbraw/zinc/40/23/53/887402353.db2.gz YKFMHXDLVAADMS-VIFPVBQESA-N 0 3 283.332 -1.385 20 0 CAADHN Cc1[nH]nc(Cl)c1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001367589212 887402398 /nfs/dbraw/zinc/40/23/98/887402398.db2.gz ZLZHYRYLAPJXSN-LURJTMIESA-N 0 3 289.723 -1.463 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001367591030 887402547 /nfs/dbraw/zinc/40/25/47/887402547.db2.gz YPQXGXUJEVIPOU-VIFPVBQESA-N 0 3 298.347 -1.978 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnc(C)s1 ZINC001367590201 887402691 /nfs/dbraw/zinc/40/26/91/887402691.db2.gz VGGSLWYLEIVAQA-QMMMGPOBSA-N 0 3 286.357 -1.122 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)Cc1ccon1)NC1CC1 ZINC001367586858 887402821 /nfs/dbraw/zinc/40/28/21/887402821.db2.gz PSGLMDGIPTYVSB-NSHDSACASA-N 0 3 296.327 -1.438 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001367585365 887403399 /nfs/dbraw/zinc/40/33/99/887403399.db2.gz MHVSORZYNDQZLT-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001367588091 887403458 /nfs/dbraw/zinc/40/34/58/887403458.db2.gz XVQAVAQIDVMYJW-SNVBAGLBSA-N 0 3 298.347 -2.084 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)n1 ZINC001367586038 887403499 /nfs/dbraw/zinc/40/34/99/887403499.db2.gz QFIWOQIJCFOIAA-VIFPVBQESA-N 0 3 298.347 -1.934 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cncs1 ZINC001367588863 887403558 /nfs/dbraw/zinc/40/35/58/887403558.db2.gz MDVLFAXPMVHVCV-MRVPVSSYSA-N 0 3 286.357 -1.502 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)[nH]n1 ZINC001367585139 887403612 /nfs/dbraw/zinc/40/36/12/887403612.db2.gz LWIWLUOUYXUOLJ-UWVGGRQHSA-N 0 3 295.343 -1.323 20 0 CAADHN CC[C@@H](C)CC(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001367586432 887404068 /nfs/dbraw/zinc/40/40/68/887404068.db2.gz UDRJGSHROJDFME-RKDXNWHRSA-N 0 3 288.348 -1.316 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccncc1F ZINC001367586842 887403989 /nfs/dbraw/zinc/40/39/89/887403989.db2.gz POKAZIYKVJOKOY-VIFPVBQESA-N 0 3 298.318 -1.011 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)n1 ZINC001367586037 887404300 /nfs/dbraw/zinc/40/43/00/887404300.db2.gz QFIWOQIJCFOIAA-SECBINFHSA-N 0 3 298.347 -1.934 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)c1 ZINC001367584973 887404442 /nfs/dbraw/zinc/40/44/42/887404442.db2.gz QTFQRSNTQSLEEW-GFCCVEGCSA-N 0 3 294.355 -1.062 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNCc1nnnn1C)N(C)C ZINC001367592145 887405331 /nfs/dbraw/zinc/40/53/31/887405331.db2.gz FJSJUOJZIOGVAE-VHSXEESVSA-N 0 3 299.379 -1.883 20 0 CAADHN CCc1c(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cnn1C ZINC001367601028 887405347 /nfs/dbraw/zinc/40/53/47/887405347.db2.gz DRRMACVIDAJJFI-DTWKUNHWSA-N 0 3 297.359 -1.463 20 0 CAADHN O=C(NC[C@H](O)CNCc1cncs1)[C@@H]1CNC(=O)N1 ZINC001367602621 887405560 /nfs/dbraw/zinc/40/55/60/887405560.db2.gz QFXTUCYQDSZVSB-APPZFPTMSA-N 0 3 299.356 -1.609 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001367603510 887405696 /nfs/dbraw/zinc/40/56/96/887405696.db2.gz QJVMWNXRKZAETE-SNVBAGLBSA-N 0 3 296.327 -1.058 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2cc[nH]c2)C1=O ZINC001367592083 887405723 /nfs/dbraw/zinc/40/57/23/887405723.db2.gz RBDSUIUXVWLNQG-QWRGUYRKSA-N 0 3 280.328 -1.074 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)CCC1 ZINC001367596179 887405781 /nfs/dbraw/zinc/40/57/81/887405781.db2.gz AIDRDLWRKORFGF-MNOVXSKESA-N 0 3 299.371 -1.242 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnc2n1CCC2 ZINC001367595713 887405869 /nfs/dbraw/zinc/40/58/69/887405869.db2.gz UAXPECIDLYLBMZ-QMMMGPOBSA-N 0 3 281.316 -2.005 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc2occc2[nH]1 ZINC001367592954 887405949 /nfs/dbraw/zinc/40/59/49/887405949.db2.gz VIZDSWGGXCOQDK-ZETCQYMHSA-N 0 3 280.284 -1.074 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001367597644 887406002 /nfs/dbraw/zinc/40/60/02/887406002.db2.gz BJVMROOAKIKRNA-VIFPVBQESA-N 0 3 282.300 -1.744 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001367598838 887406213 /nfs/dbraw/zinc/40/62/13/887406213.db2.gz BSPVJFMGFGIXFC-MRVPVSSYSA-N 0 3 299.331 -2.058 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)ccn1 ZINC001367597988 887406283 /nfs/dbraw/zinc/40/62/83/887406283.db2.gz LJGBIOBQFMZPPO-WPRPVWTQSA-N 0 3 296.327 -1.356 20 0 CAADHN CC(C)n1ccc(CC(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001367599541 887406630 /nfs/dbraw/zinc/40/66/30/887406630.db2.gz LFQLCRFTLSIZCN-NSHDSACASA-N 0 3 297.359 -1.442 20 0 CAADHN CCc1c(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cnn1C ZINC001367601033 887406787 /nfs/dbraw/zinc/40/67/87/887406787.db2.gz DRRMACVIDAJJFI-RKDXNWHRSA-N 0 3 297.359 -1.463 20 0 CAADHN CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001367593006 887406834 /nfs/dbraw/zinc/40/68/34/887406834.db2.gz YUKVNOPZVGZXTN-QMMMGPOBSA-N 0 3 297.315 -2.001 20 0 CAADHN O=C(NC[C@H](O)CNCc1cncs1)[C@H]1CNC(=O)N1 ZINC001367602671 887406929 /nfs/dbraw/zinc/40/69/29/887406929.db2.gz QFXTUCYQDSZVSB-VXNVDRBHSA-N 0 3 299.356 -1.609 20 0 CAADHN O=C(C[C@H]1CCOC1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001367598859 887406969 /nfs/dbraw/zinc/40/69/69/887406969.db2.gz CVUDEAONLJTPSW-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc2occc2[nH]1 ZINC001367592953 887407151 /nfs/dbraw/zinc/40/71/51/887407151.db2.gz VIZDSWGGXCOQDK-SSDOTTSWSA-N 0 3 280.284 -1.074 20 0 CAADHN COc1ccnc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001367599203 887407272 /nfs/dbraw/zinc/40/72/72/887407272.db2.gz BWJQZJXXMLMWTB-MRVPVSSYSA-N 0 3 282.300 -1.744 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C(C)(C)COC ZINC001367596221 887407299 /nfs/dbraw/zinc/40/72/99/887407299.db2.gz BGRBGEUPCOSAES-VIFPVBQESA-N 0 3 275.349 -1.528 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)ccn1 ZINC001367597985 887407307 /nfs/dbraw/zinc/40/73/07/887407307.db2.gz LJGBIOBQFMZPPO-WCBMZHEXSA-N 0 3 296.327 -1.356 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1nccn1C)C(N)=O ZINC001367597857 887407343 /nfs/dbraw/zinc/40/73/43/887407343.db2.gz GKFLYISBLCDLEU-VHSXEESVSA-N 0 3 297.359 -1.707 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)cc1=O ZINC001367595862 887407419 /nfs/dbraw/zinc/40/74/19/887407419.db2.gz AVFGXVNHNIHCSX-VIFPVBQESA-N 0 3 282.300 -2.449 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1ccncc1 ZINC001367597234 887407434 /nfs/dbraw/zinc/40/74/34/887407434.db2.gz ITVGWAKCGORURD-LBPRGKRZSA-N 0 3 294.355 -1.173 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnc(C)n1C)C(N)=O ZINC001367602687 887407457 /nfs/dbraw/zinc/40/74/57/887407457.db2.gz QGOBCDHAXZIUJY-VHSXEESVSA-N 0 3 297.359 -1.327 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001367598844 887407466 /nfs/dbraw/zinc/40/74/66/887407466.db2.gz BSPVJFMGFGIXFC-QMMMGPOBSA-N 0 3 299.331 -2.058 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1csnn1 ZINC001367604741 887408374 /nfs/dbraw/zinc/40/83/74/887408374.db2.gz DGECUCJWTSPPBZ-YUMQZZPRSA-N 0 3 299.356 -1.503 20 0 CAADHN CCCn1ncc(C(=O)NC[C@@H](O)CNCC(N)=O)c1C ZINC001367613520 887408706 /nfs/dbraw/zinc/40/87/06/887408706.db2.gz MLIUJABYGAPQFF-JTQLQIEISA-N 0 3 297.359 -1.233 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cncnc1C1CC1 ZINC001367613134 887408786 /nfs/dbraw/zinc/40/87/86/887408786.db2.gz BNGVPKFAQXPKIH-SECBINFHSA-N 0 3 293.327 -1.480 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2ncccn2)n[nH]1 ZINC001367612275 887408836 /nfs/dbraw/zinc/40/88/36/887408836.db2.gz IPRDVWAENNUNLZ-SECBINFHSA-N 0 3 291.315 -1.216 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)CC1 ZINC001367606679 887408889 /nfs/dbraw/zinc/40/88/89/887408889.db2.gz YCJSUMWACPPMGZ-RKDXNWHRSA-N 0 3 273.333 -1.647 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1c(C)cnn1C ZINC001367604596 887409042 /nfs/dbraw/zinc/40/90/42/887409042.db2.gz IMEGYBNPKLBVMD-SNVBAGLBSA-N 0 3 297.359 -1.455 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)COC1CCCCC1 ZINC001367606312 887409079 /nfs/dbraw/zinc/40/90/79/887409079.db2.gz ZHZZRBOIVHETBR-JTQLQIEISA-N 0 3 287.360 -1.112 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@H](CC)C(N)=O ZINC001367610219 887409121 /nfs/dbraw/zinc/40/91/21/887409121.db2.gz SKDQRQZPDXQVKY-GZMMTYOYSA-N 0 3 297.359 -1.084 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001367609602 887409304 /nfs/dbraw/zinc/40/93/04/887409304.db2.gz VQQFEZDFKIDPEU-SNVBAGLBSA-N 0 3 295.343 -1.369 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)CC1 ZINC001367606658 887409457 /nfs/dbraw/zinc/40/94/57/887409457.db2.gz YCJSUMWACPPMGZ-DTWKUNHWSA-N 0 3 273.333 -1.647 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2n[nH]cc2F)C1=O ZINC001367612350 887409503 /nfs/dbraw/zinc/40/95/03/887409503.db2.gz XVDXSRCRGPNIRU-APPZFPTMSA-N 0 3 299.306 -1.540 20 0 CAADHN CN1CCC[C@@H](NC[C@@H](O)CNC(=O)c2cnco2)C1=O ZINC001367607506 887409543 /nfs/dbraw/zinc/40/95/43/887409543.db2.gz GWELEUFQJGPBTE-NXEZZACHSA-N 0 3 296.327 -1.024 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1ccncn1 ZINC001367613854 887409663 /nfs/dbraw/zinc/40/96/63/887409663.db2.gz MYSMITZGBWTRLF-SNVBAGLBSA-N 0 3 295.343 -1.319 20 0 CAADHN CN1CCC[C@H](NC[C@@H](O)CNC(=O)c2cnco2)C1=O ZINC001367607522 887409688 /nfs/dbraw/zinc/40/96/88/887409688.db2.gz GWELEUFQJGPBTE-ZJUUUORDSA-N 0 3 296.327 -1.024 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)CC1 ZINC001367606668 887410005 /nfs/dbraw/zinc/41/00/05/887410005.db2.gz YCJSUMWACPPMGZ-IUCAKERBSA-N 0 3 273.333 -1.647 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1c(C)nn(C)c1C ZINC001367605973 887410023 /nfs/dbraw/zinc/41/00/23/887410023.db2.gz DTRHAOHMZXAYLR-SNVBAGLBSA-N 0 3 297.359 -1.537 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2ncccn2)n[nH]1 ZINC001367612277 887410048 /nfs/dbraw/zinc/41/00/48/887410048.db2.gz IPRDVWAENNUNLZ-VIFPVBQESA-N 0 3 291.315 -1.216 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc2ncccn2n1 ZINC001367613493 887410081 /nfs/dbraw/zinc/41/00/81/887410081.db2.gz MGFIPGIZSNIKSG-MRVPVSSYSA-N 0 3 292.299 -2.105 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccncc1Cl ZINC001367608579 887410115 /nfs/dbraw/zinc/41/01/15/887410115.db2.gz FJBIVKPLXPIXLL-ZETCQYMHSA-N 0 3 286.719 -1.099 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001367605109 887410136 /nfs/dbraw/zinc/41/01/36/887410136.db2.gz UEAVLXNYIHHECW-QMMMGPOBSA-N 0 3 272.280 -1.420 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1cncn1C ZINC001367610528 887410157 /nfs/dbraw/zinc/41/01/57/887410157.db2.gz WYJQZJINMUCYEY-ONGXEEELSA-N 0 3 297.359 -1.502 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001367623736 887411511 /nfs/dbraw/zinc/41/15/11/887411511.db2.gz WDNDEHABWYIHBP-AXFHLTTASA-N 0 3 295.343 -1.892 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccc(Cl)cn1 ZINC001367617485 887411778 /nfs/dbraw/zinc/41/17/78/887411778.db2.gz AYOBYGVLNWCHGB-QMMMGPOBSA-N 0 3 286.719 -1.099 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ocnc1C(F)F ZINC001367617071 887412738 /nfs/dbraw/zinc/41/27/38/887412738.db2.gz LAGPMQJRLHWROL-RXMQYKEDSA-N 0 3 292.242 -1.222 20 0 CAADHN CCc1c(C(=O)NC[C@@H](O)CNCC(N)=O)ccn1C ZINC001367625369 887412023 /nfs/dbraw/zinc/41/20/23/887412023.db2.gz YNYSHTZVGWCDNB-VIFPVBQESA-N 0 3 282.344 -1.247 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1cnccn1)C(N)=O ZINC001367615980 887412047 /nfs/dbraw/zinc/41/20/47/887412047.db2.gz GYVUKBKNXKXPHY-GXSJLCMTSA-N 0 3 295.343 -1.650 20 0 CAADHN O=C(CCn1cccc1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001367623700 887412120 /nfs/dbraw/zinc/41/21/20/887412120.db2.gz ZGBDEIVGZDJDBP-RYUDHWBXSA-N 0 3 294.355 -1.167 20 0 CAADHN CO[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)c1ccccc1 ZINC001367625556 887412252 /nfs/dbraw/zinc/41/22/52/887412252.db2.gz SXBZNWVZBRSKST-DGCLKSJQSA-N 0 3 295.339 -1.074 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001367615978 887412294 /nfs/dbraw/zinc/41/22/94/887412294.db2.gz JAXOHUAUEIUHIP-OPRDCNLKSA-N 0 3 281.312 -1.065 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)Cc1ncc[nH]1)NC1CC1 ZINC001367616093 887412678 /nfs/dbraw/zinc/41/26/78/887412678.db2.gz MDGLBQSWUHYKDG-JTQLQIEISA-N 0 3 295.343 -1.703 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001367615940 887412818 /nfs/dbraw/zinc/41/28/18/887412818.db2.gz IVTIQNJOMZBXLM-KKOKHZNYSA-N 0 3 299.371 -1.291 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)n1 ZINC001367621382 887413193 /nfs/dbraw/zinc/41/31/93/887413193.db2.gz PMJKADMHXLUGBR-JTQLQIEISA-N 0 3 295.343 -1.323 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001367621658 887413263 /nfs/dbraw/zinc/41/32/63/887413263.db2.gz MFIOQKJUHBIZPL-JTQLQIEISA-N 0 3 294.355 -1.070 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@]1(C)CCCOC1 ZINC001367622664 887413313 /nfs/dbraw/zinc/41/33/13/887413313.db2.gz WXACTMMKDHKTMH-GXFFZTMASA-N 0 3 287.360 -1.384 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1CNC(=O)N1 ZINC001367643869 887414671 /nfs/dbraw/zinc/41/46/71/887414671.db2.gz ANYDVIAEGOJHTB-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001367645505 887414752 /nfs/dbraw/zinc/41/47/52/887414752.db2.gz BEPHRORVRPAJMK-VXNVDRBHSA-N 0 3 288.348 -2.158 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CCC(=O)N1C ZINC001367645910 887415144 /nfs/dbraw/zinc/41/51/44/887415144.db2.gz GMXQOLOEKNQVHW-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1ccc[nH]1)C(N)=O ZINC001367633265 887415401 /nfs/dbraw/zinc/41/54/01/887415401.db2.gz XNNOJOFPKGNSQK-GHMZBOCLSA-N 0 3 282.344 -1.112 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001367638560 887415453 /nfs/dbraw/zinc/41/54/53/887415453.db2.gz GPFMLSXVOBBKNU-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001367645862 887415475 /nfs/dbraw/zinc/41/54/75/887415475.db2.gz GKWSMKNHUCTWGO-IUCAKERBSA-N 0 3 283.332 -2.006 20 0 CAADHN O=C(Cc1ccc[nH]1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001367629034 887415519 /nfs/dbraw/zinc/41/55/19/887415519.db2.gz IKZAJGHJKCBLJO-GFCCVEGCSA-N 0 3 294.355 -1.144 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@@H](C)NC(N)=O ZINC001367647667 887415576 /nfs/dbraw/zinc/41/55/76/887415576.db2.gz LQQPGHOHWMPZCH-RKDXNWHRSA-N 0 3 287.364 -1.255 20 0 CAADHN O=C(Cc1ccc[nH]1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001367629048 887415932 /nfs/dbraw/zinc/41/59/32/887415932.db2.gz IKZAJGHJKCBLJO-LBPRGKRZSA-N 0 3 294.355 -1.144 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001367627145 887415965 /nfs/dbraw/zinc/41/59/65/887415965.db2.gz HDIYJFYKWQKOBZ-SNVBAGLBSA-N 0 3 295.343 -1.323 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001367638559 887416003 /nfs/dbraw/zinc/41/60/03/887416003.db2.gz GPFMLSXVOBBKNU-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001367645868 887416014 /nfs/dbraw/zinc/41/60/14/887416014.db2.gz GKWSMKNHUCTWGO-RKDXNWHRSA-N 0 3 283.332 -2.006 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001367641335 887416027 /nfs/dbraw/zinc/41/60/27/887416027.db2.gz DTTIZAPKXLJVQD-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001367631572 887416147 /nfs/dbraw/zinc/41/61/47/887416147.db2.gz ONYWFTHWUYKNHP-DTWKUNHWSA-N 0 3 284.320 -2.521 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001367628327 887416171 /nfs/dbraw/zinc/41/61/71/887416171.db2.gz FJCSBVSXUJWDJA-LLVKDONJSA-N 0 3 293.331 -1.722 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001367641328 887416241 /nfs/dbraw/zinc/41/62/41/887416241.db2.gz DTTIZAPKXLJVQD-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](O)CNCC(=O)NC ZINC001367632110 887416287 /nfs/dbraw/zinc/41/62/87/887416287.db2.gz TXZYNDRAEZYEOA-MRVPVSSYSA-N 0 3 295.361 -2.766 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1CNC(=O)N1 ZINC001367643863 887416306 /nfs/dbraw/zinc/41/63/06/887416306.db2.gz ANYDVIAEGOJHTB-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1COCCO1 ZINC001367643256 887416377 /nfs/dbraw/zinc/41/63/77/887416377.db2.gz OBNBJOGUUQLOMP-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CCC(=O)N1C ZINC001367645915 887416392 /nfs/dbraw/zinc/41/63/92/887416392.db2.gz GMXQOLOEKNQVHW-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1nonc1C ZINC001367631817 887416550 /nfs/dbraw/zinc/41/65/50/887416550.db2.gz ZFWHPWCNKNEKFW-SECBINFHSA-N 0 3 299.331 -1.463 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccnc(C)n1 ZINC001367631331 887416652 /nfs/dbraw/zinc/41/66/52/887416652.db2.gz OQMCLVPRCYUZRW-SNVBAGLBSA-N 0 3 295.343 -1.399 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001367627144 887416693 /nfs/dbraw/zinc/41/66/93/887416693.db2.gz HDIYJFYKWQKOBZ-JTQLQIEISA-N 0 3 295.343 -1.323 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCC(=O)N1C ZINC001367644979 887416853 /nfs/dbraw/zinc/41/68/53/887416853.db2.gz DEYLCHSMEUZXEB-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CO[C@H](C(=O)N[C@H](C)CNCC(=O)NC(N)=O)C1CC1 ZINC001367669104 887418388 /nfs/dbraw/zinc/41/83/88/887418388.db2.gz YTEMRWTWXGWSGT-XCBNKYQSSA-N 0 3 286.332 -1.299 20 0 CAADHN Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001367669157 887418534 /nfs/dbraw/zinc/41/85/34/887418534.db2.gz VHHMCFWCYPBTER-OIBJUYFYSA-N 0 3 297.359 -1.318 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)Cc1ccon1 ZINC001367664701 887419031 /nfs/dbraw/zinc/41/90/31/887419031.db2.gz HSFIFJAZYKYRMU-HTQZYQBOSA-N 0 3 297.315 -1.105 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001367656272 887418865 /nfs/dbraw/zinc/41/88/65/887418865.db2.gz LGJXJMBWGDDKEE-SSDOTTSWSA-N 0 3 287.320 -2.246 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)CC(C)(C)O ZINC001367667689 887419053 /nfs/dbraw/zinc/41/90/53/887419053.db2.gz FICHTEKMQUSFTA-SFYZADRCSA-N 0 3 288.348 -1.175 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001367671364 887419135 /nfs/dbraw/zinc/41/91/35/887419135.db2.gz MTKNBDYXKZJTPN-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)CN1CCOCC1 ZINC001367666227 887419414 /nfs/dbraw/zinc/41/94/14/887419414.db2.gz MAZQWOLIZHNREO-LLVKDONJSA-N 0 3 298.387 -1.309 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001367657536 887419448 /nfs/dbraw/zinc/41/94/48/887419448.db2.gz RQPPWSUGHNMXKE-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001367650601 887419483 /nfs/dbraw/zinc/41/94/83/887419483.db2.gz XCZDLVVRWZPVQO-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ncn[nH]1)c1nncn1C ZINC001367662488 887419527 /nfs/dbraw/zinc/41/95/27/887419527.db2.gz MQZRAYJRUZGTAL-HTQZYQBOSA-N 0 3 294.319 -1.625 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1nc[nH]n1)c1nncn1C ZINC001367662488 887419536 /nfs/dbraw/zinc/41/95/36/887419536.db2.gz MQZRAYJRUZGTAL-HTQZYQBOSA-N 0 3 294.319 -1.625 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001367663976 887419626 /nfs/dbraw/zinc/41/96/26/887419626.db2.gz TYAYTTIYBZWQOX-PSASIEDQSA-N 0 3 282.344 -1.362 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCCO1 ZINC001367660056 887419853 /nfs/dbraw/zinc/41/98/53/887419853.db2.gz XBNAZOAYUFIGNU-SFYZADRCSA-N 0 3 272.305 -1.545 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)CCOC ZINC001367655089 887419960 /nfs/dbraw/zinc/41/99/60/887419960.db2.gz JSYOTGUXRFHLAH-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ncn[nH]1)c1nncn1C ZINC001367662518 887420580 /nfs/dbraw/zinc/42/05/80/887420580.db2.gz MQZRAYJRUZGTAL-YUMQZZPRSA-N 0 3 294.319 -1.625 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1nc[nH]n1)c1nncn1C ZINC001367662518 887420592 /nfs/dbraw/zinc/42/05/92/887420592.db2.gz MQZRAYJRUZGTAL-YUMQZZPRSA-N 0 3 294.319 -1.625 20 0 CAADHN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001367669159 887420884 /nfs/dbraw/zinc/42/08/84/887420884.db2.gz VHHMCFWCYPBTER-XCBNKYQSSA-N 0 3 297.359 -1.318 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001367649020 887420892 /nfs/dbraw/zinc/42/08/92/887420892.db2.gz VSQIOOBCHZPVKN-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CCn1nc(C(=O)N[C@H](C)CNCC(N)=O)ccc1=O ZINC001367701361 887422377 /nfs/dbraw/zinc/42/23/77/887422377.db2.gz GKDOKONTQVFIEZ-MRVPVSSYSA-N 0 3 281.316 -1.544 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001367686426 887422484 /nfs/dbraw/zinc/42/24/84/887422484.db2.gz ZABNGULVPKUXJF-BDAKNGLRSA-N 0 3 291.373 -1.609 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1nnn(C)n1 ZINC001367691655 887422495 /nfs/dbraw/zinc/42/24/95/887422495.db2.gz JHFNHYVSVDBCSD-SFYZADRCSA-N 0 3 281.320 -1.851 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cc2n(n1)CCCO2 ZINC001367683361 887422660 /nfs/dbraw/zinc/42/26/60/887422660.db2.gz SYBZORLGMVMMMC-MRVPVSSYSA-N 0 3 281.316 -1.141 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001367672375 887422788 /nfs/dbraw/zinc/42/27/88/887422788.db2.gz RUVCBVWYPKYCPV-RKDXNWHRSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1c[nH]c(=O)n1C ZINC001367691299 887422808 /nfs/dbraw/zinc/42/28/08/887422808.db2.gz CXGQLAIOKZYRHZ-SFYZADRCSA-N 0 3 281.316 -1.278 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)Cn1ncnn1 ZINC001367678887 887422832 /nfs/dbraw/zinc/42/28/32/887422832.db2.gz YTLSETKTZTXPHA-SECBINFHSA-N 0 3 295.347 -1.706 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCn1cnccc1=O ZINC001367708898 887422867 /nfs/dbraw/zinc/42/28/67/887422867.db2.gz UVTKYUKOJKJLFG-ZJUUUORDSA-N 0 3 295.343 -1.399 20 0 CAADHN CCN1C[C@H](C(=O)N[C@H](C)CNCC(N)=O)CC1=O ZINC001367674424 887423261 /nfs/dbraw/zinc/42/32/61/887423261.db2.gz HFCGWIWKNWHQHW-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCCC(=O)N1C ZINC001367708028 887423739 /nfs/dbraw/zinc/42/37/39/887423739.db2.gz SPUXNMPJAYUYLF-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CS(=O)(=O)N(C)C ZINC001367710658 887423779 /nfs/dbraw/zinc/42/37/79/887423779.db2.gz IPJCFRZIGXIIQO-HTQZYQBOSA-N 0 3 294.377 -2.154 20 0 CAADHN CCCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001367693950 887423871 /nfs/dbraw/zinc/42/38/71/887423871.db2.gz WDJBJKYRCYYBNR-BDAKNGLRSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1cncn1C ZINC001367681157 887423936 /nfs/dbraw/zinc/42/39/36/887423936.db2.gz SVXXMXSXOLHUBK-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001367694811 887424075 /nfs/dbraw/zinc/42/40/75/887424075.db2.gz WXHFJPJKUULWAL-ZJUUUORDSA-N 0 3 299.375 -2.353 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)C[C@H]1CCNC1=O ZINC001367676186 887424318 /nfs/dbraw/zinc/42/43/18/887424318.db2.gz OKWSVLKMHNMOMO-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)Cc1nc2ncccn2n1 ZINC001367713458 887425607 /nfs/dbraw/zinc/42/56/07/887425607.db2.gz UHBZRYWEORYYEM-MRVPVSSYSA-N 0 3 291.315 -1.754 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1COC(=O)N1 ZINC001367728823 887425651 /nfs/dbraw/zinc/42/56/51/887425651.db2.gz ZSGDBJSNZZITCE-WCBMZHEXSA-N 0 3 298.343 -1.190 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCO1 ZINC001367720637 887425807 /nfs/dbraw/zinc/42/58/07/887425807.db2.gz QMHYXYIWSWSWFP-IUCAKERBSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)Cn1cccn1 ZINC001367720854 887425917 /nfs/dbraw/zinc/42/59/17/887425917.db2.gz QPVQQCGWGBRFGU-QMMMGPOBSA-N 0 3 282.304 -1.828 20 0 CAADHN CNC(=O)CCCC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001367729526 887426175 /nfs/dbraw/zinc/42/61/75/887426175.db2.gz YDZACTOAVPXNOK-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C1CS(=O)(=O)C1 ZINC001367734320 887426337 /nfs/dbraw/zinc/42/63/37/887426337.db2.gz JHUAXIZRMKXKPQ-IONNQARKSA-N 0 3 289.357 -1.986 20 0 CAADHN CCn1ccnc1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001367727686 887426433 /nfs/dbraw/zinc/42/64/33/887426433.db2.gz GSGBGDIRFKNKRE-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)[C@@H]2COC(=O)N2)n[nH]1 ZINC001367726275 887426515 /nfs/dbraw/zinc/42/65/15/887426515.db2.gz DKYGVXHJXLRJMD-XPUUQOCRSA-N 0 3 282.304 -1.184 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)NC(=O)CCNC(N)=O)C1=O ZINC001367712788 887426662 /nfs/dbraw/zinc/42/66/62/887426662.db2.gz SLBKNMPRNYPRPL-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)Cn1ncnn1 ZINC001367735805 887426851 /nfs/dbraw/zinc/42/68/51/887426851.db2.gz VECDJVBSEPMBSR-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001367726003 887427321 /nfs/dbraw/zinc/42/73/21/887427321.db2.gz TUJBYJPRCNZUQM-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)COC[C@H]1CCCO1 ZINC001367715765 887427446 /nfs/dbraw/zinc/42/74/46/887427446.db2.gz QOMMZCWWEPICRE-NXEZZACHSA-N 0 3 273.333 -1.238 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)CNC(C)=O ZINC001367719360 887427518 /nfs/dbraw/zinc/42/75/18/887427518.db2.gz GDCFVDQANNLROC-ZETCQYMHSA-N 0 3 287.320 -2.328 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)C[C@H](C)NC(N)=O ZINC001367730564 887427643 /nfs/dbraw/zinc/42/76/43/887427643.db2.gz CARXIZYSEYLBNW-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001367733875 887427763 /nfs/dbraw/zinc/42/77/63/887427763.db2.gz JUNYQTFCSPSUDV-JGVFFNPUSA-N 0 3 299.331 -2.246 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)NC(=O)CCNC(N)=O)C1=O ZINC001367712786 887427842 /nfs/dbraw/zinc/42/78/42/887427842.db2.gz SLBKNMPRNYPRPL-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CCCC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001367729188 887427959 /nfs/dbraw/zinc/42/79/59/887427959.db2.gz VXCYUGSMIKYORZ-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CO[C@@H]1CCOC1 ZINC001367731892 887428021 /nfs/dbraw/zinc/42/80/21/887428021.db2.gz MOHWOSIRAFWLAI-VHSXEESVSA-N 0 3 273.333 -1.368 20 0 CAADHN CC[C@H](C(=O)N[C@H](C)CNCC(N)=O)N1CCCC1=O ZINC001367714710 887428326 /nfs/dbraw/zinc/42/83/26/887428326.db2.gz GFXJLLIHGMBWIJ-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN COCC(=O)N[C@@H](C)CNCC(=O)NC[C@@H]1CCOC1 ZINC001367722310 887428615 /nfs/dbraw/zinc/42/86/15/887428615.db2.gz SQLWOZSPRVTJTN-QWRGUYRKSA-N 0 3 287.360 -1.120 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1COC(=O)N1 ZINC001367727123 887428665 /nfs/dbraw/zinc/42/86/65/887428665.db2.gz IZYAUYMWNBGIHN-NKWVEPMBSA-N 0 3 298.303 -2.189 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)Cn1cncn1 ZINC001367769982 887430086 /nfs/dbraw/zinc/43/00/86/887430086.db2.gz JQBOZBSTVOKLCH-QMMMGPOBSA-N 0 3 297.319 -2.172 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001367740282 887430105 /nfs/dbraw/zinc/43/01/05/887430105.db2.gz SRYCONHYAGCFFA-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CCNC(N)=O ZINC001367769775 887430202 /nfs/dbraw/zinc/43/02/02/887430202.db2.gz HDQGMNOBJARDQY-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CCn1cnnn1 ZINC001367762972 887430222 /nfs/dbraw/zinc/43/02/22/887430222.db2.gz OSPNDRLAMXUKAA-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001367772506 887430248 /nfs/dbraw/zinc/43/02/48/887430248.db2.gz ATUZMOUPTOAZKQ-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN Cc1nonc1CC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001367764435 887430290 /nfs/dbraw/zinc/43/02/90/887430290.db2.gz SSMARKMEQSLSBF-IONNQARKSA-N 0 3 281.316 -1.097 20 0 CAADHN C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)c1nnn(C)n1 ZINC001367752507 887430447 /nfs/dbraw/zinc/43/04/47/887430447.db2.gz VJXFSLBUGYAYDE-IUCAKERBSA-N 0 3 295.347 -1.461 20 0 CAADHN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001367765855 887430549 /nfs/dbraw/zinc/43/05/49/887430549.db2.gz FOVGHIRZRWUVQF-ZANVPECISA-N 0 3 284.360 -1.176 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001367771426 887430595 /nfs/dbraw/zinc/43/05/95/887430595.db2.gz NMLOLHWOCVMSSW-NKWVEPMBSA-N 0 3 280.350 -2.496 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)CNCC(N)=O ZINC001367765227 887430680 /nfs/dbraw/zinc/43/06/80/887430680.db2.gz ZHZKHEADBDKBMP-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CS(=O)(=O)N(C)C ZINC001367768883 887430795 /nfs/dbraw/zinc/43/07/95/887430795.db2.gz SOPCUENJBMSZMV-ZETCQYMHSA-N 0 3 280.350 -2.543 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001367749086 887430835 /nfs/dbraw/zinc/43/08/35/887430835.db2.gz JYQAJLBZLIHBPE-WPRPVWTQSA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)Cn1cncn1 ZINC001367770099 887431259 /nfs/dbraw/zinc/43/12/59/887431259.db2.gz LXLURYPLRUWNCW-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001367773270 887431287 /nfs/dbraw/zinc/43/12/87/887431287.db2.gz IUWCCMJWTZKNJV-UWVGGRQHSA-N 0 3 296.375 -1.024 20 0 CAADHN C[C@@H](CNCc1cncn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001367754900 887431351 /nfs/dbraw/zinc/43/13/51/887431351.db2.gz OTYPGOHQFYPCSI-WCBMZHEXSA-N 0 3 280.332 -1.304 20 0 CAADHN C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)c1nnn(C)n1 ZINC001367752504 887431364 /nfs/dbraw/zinc/43/13/64/887431364.db2.gz VJXFSLBUGYAYDE-DTWKUNHWSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001367751791 887431502 /nfs/dbraw/zinc/43/15/02/887431502.db2.gz RXNXAFAIGGHCTN-UWVGGRQHSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001367756470 887431550 /nfs/dbraw/zinc/43/15/50/887431550.db2.gz ULSZVVRXVDLUIG-JGVFFNPUSA-N 0 3 281.316 -1.278 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)Cn1ncn(C)c1=O ZINC001367743816 887431570 /nfs/dbraw/zinc/43/15/70/887431570.db2.gz SLWQSXKWCQGCEI-VIFPVBQESA-N 0 3 298.347 -2.236 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)Cn1nnc2c1CCCC2 ZINC001367758664 887431709 /nfs/dbraw/zinc/43/17/09/887431709.db2.gz APLZRBQFOAUVEB-VIFPVBQESA-N 0 3 294.359 -1.264 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCNC(=O)NC ZINC001367747283 887431875 /nfs/dbraw/zinc/43/18/75/887431875.db2.gz FELVZBRXHYTMEQ-QMMMGPOBSA-N 0 3 273.337 -1.854 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001367753338 887431896 /nfs/dbraw/zinc/43/18/96/887431896.db2.gz HVTKTGFDWPRLGF-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ncc(OC)cn1 ZINC001367746114 887431916 /nfs/dbraw/zinc/43/19/16/887431916.db2.gz RXRNHWNVRMSWAG-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnon1 ZINC001367761306 887432072 /nfs/dbraw/zinc/43/20/72/887432072.db2.gz BQWZSSRYPCYVDY-LURJTMIESA-N 0 3 281.276 -1.601 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001367807860 887434341 /nfs/dbraw/zinc/43/43/41/887434341.db2.gz YBJZYYPLMIBSDU-JTQLQIEISA-N 0 3 298.343 -2.024 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001367825439 887435043 /nfs/dbraw/zinc/43/50/43/887435043.db2.gz MNJUHTRHEJTKOY-ONGXEEELSA-N 0 3 295.343 -1.206 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001367812214 887435161 /nfs/dbraw/zinc/43/51/61/887435161.db2.gz HHPJYJHIKCVZAU-IUCAKERBSA-N 0 3 295.343 -1.377 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@H]1COC(=O)N1 ZINC001367811850 887435257 /nfs/dbraw/zinc/43/52/57/887435257.db2.gz XVTYQGDTIXRDRA-VHSXEESVSA-N 0 3 296.331 -1.177 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)N1CCCC1=O ZINC001367773582 887436340 /nfs/dbraw/zinc/43/63/40/887436340.db2.gz GFXJLLIHGMBWIJ-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001367814793 887435915 /nfs/dbraw/zinc/43/59/15/887435915.db2.gz CPJJTKBVNBYWLF-VIFPVBQESA-N 0 3 284.316 -1.622 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001367920601 887437863 /nfs/dbraw/zinc/43/78/63/887437863.db2.gz LROAYOWVWSIQKL-SECBINFHSA-N 0 3 280.332 -1.422 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001367890738 887438253 /nfs/dbraw/zinc/43/82/53/887438253.db2.gz NAFHDSFMDGGKPG-NXEZZACHSA-N 0 3 285.348 -1.128 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001367890741 887437944 /nfs/dbraw/zinc/43/79/44/887437944.db2.gz NAFHDSFMDGGKPG-VHSXEESVSA-N 0 3 285.348 -1.128 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CNCC(=O)N(C)C)C1CC1 ZINC001367876775 887437959 /nfs/dbraw/zinc/43/79/59/887437959.db2.gz NDISLEMICBHAOB-LLVKDONJSA-N 0 3 284.360 -1.305 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001367897566 887438000 /nfs/dbraw/zinc/43/80/00/887438000.db2.gz SKOZRYKJFISFRY-MNOVXSKESA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)Cn1cncn1)C1CC1 ZINC001367918715 887438148 /nfs/dbraw/zinc/43/81/48/887438148.db2.gz OCEVJMPUVPCMOW-JTQLQIEISA-N 0 3 280.332 -1.492 20 0 CAADHN CCOCC(=O)N[C@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001367887127 887438360 /nfs/dbraw/zinc/43/83/60/887438360.db2.gz TVACVRFVAOQIBC-SECBINFHSA-N 0 3 286.332 -1.298 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001367884100 887438476 /nfs/dbraw/zinc/43/84/76/887438476.db2.gz NAZFRTHZRHIDKG-SECBINFHSA-N 0 3 279.300 -1.235 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001367914674 887438517 /nfs/dbraw/zinc/43/85/17/887438517.db2.gz IUUHNMNAPXJYMH-QWRGUYRKSA-N 0 3 296.371 -1.115 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001367858954 887438536 /nfs/dbraw/zinc/43/85/36/887438536.db2.gz GPUWVVRGEVLIER-SECBINFHSA-N 0 3 298.347 -1.540 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CN[C@H](C)C(=O)NC)C1CC1 ZINC001367893149 887438557 /nfs/dbraw/zinc/43/85/57/887438557.db2.gz CWLKKWKAHLEGES-SCZZXKLOSA-N 0 3 299.375 -1.466 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1CCNC(=O)CC1)C1CC1 ZINC001367902998 887438648 /nfs/dbraw/zinc/43/86/48/887438648.db2.gz PUNKONCSQKEYKB-GHMZBOCLSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)c1ncn(C)n1)C1CC1)C(N)=O ZINC001367882554 887438774 /nfs/dbraw/zinc/43/87/74/887438774.db2.gz AIXBDJAMWSKURO-IONNQARKSA-N 0 3 280.332 -1.213 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001367894086 887438865 /nfs/dbraw/zinc/43/88/65/887438865.db2.gz FXZXOPCWZPRXDZ-VHSXEESVSA-N 0 3 297.359 -1.712 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CN(C)C(C)=O)C1CC1 ZINC001367897530 887438950 /nfs/dbraw/zinc/43/89/50/887438950.db2.gz WTGLEPMNTLOZGY-NSHDSACASA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001367908174 887439022 /nfs/dbraw/zinc/43/90/22/887439022.db2.gz ZMUNFXNUZYITLB-IONNQARKSA-N 0 3 270.333 -1.532 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001367887086 887439047 /nfs/dbraw/zinc/43/90/47/887439047.db2.gz QJYCAQXGZWHQNC-JGVFFNPUSA-N 0 3 270.289 -1.936 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001367922741 887439095 /nfs/dbraw/zinc/43/90/95/887439095.db2.gz PUCGKNCYNTXWOW-GHMZBOCLSA-N 0 3 296.371 -1.033 20 0 CAADHN COC[C@H](O)CN1CC[C@H]1CNC(=O)CCc1cn[nH]n1 ZINC001367963840 887445882 /nfs/dbraw/zinc/44/58/82/887445882.db2.gz XVHMPGLZBIUTOZ-NWDGAFQWSA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@H](O)CN1CC[C@H]1CNC(=O)CCc1c[nH]nn1 ZINC001367963840 887445893 /nfs/dbraw/zinc/44/58/93/887445893.db2.gz XVHMPGLZBIUTOZ-NWDGAFQWSA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@H](O)CN1CC[C@@H]1CNC(=O)CCc1cn[nH]n1 ZINC001367963841 887447058 /nfs/dbraw/zinc/44/70/58/887447058.db2.gz XVHMPGLZBIUTOZ-VXGBXAGGSA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@H](O)CN1CC[C@@H]1CNC(=O)CCc1c[nH]nn1 ZINC001367963841 887447069 /nfs/dbraw/zinc/44/70/69/887447069.db2.gz XVHMPGLZBIUTOZ-VXGBXAGGSA-N 0 3 297.359 -1.065 20 0 CAADHN CCN1CCO[C@H](C(=O)NCC2(N[C@H](C)C(N)=O)CC2)C1 ZINC001368046001 887450691 /nfs/dbraw/zinc/45/06/91/887450691.db2.gz ISYLJLVQIQLCOJ-MNOVXSKESA-N 0 3 298.387 -1.181 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CCNC(N)=O)C1CCCC1 ZINC001368144066 887452014 /nfs/dbraw/zinc/45/20/14/887452014.db2.gz IICBTTYGHSSAKZ-SNVBAGLBSA-N 0 3 299.375 -1.205 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@]1(C)CCN(CCO)C1 ZINC001368152051 887452088 /nfs/dbraw/zinc/45/20/88/887452088.db2.gz JZZWERWPQJLANE-LLVKDONJSA-N 0 3 293.389 -1.501 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)CN1CCOCC1)C(N)=O ZINC001368095532 887452718 /nfs/dbraw/zinc/45/27/18/887452718.db2.gz CBQLLDUACXSDKT-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CCNC(N)=O)C1CCCC1 ZINC001368144065 887453189 /nfs/dbraw/zinc/45/31/89/887453189.db2.gz IICBTTYGHSSAKZ-JTQLQIEISA-N 0 3 299.375 -1.205 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001368103291 887453272 /nfs/dbraw/zinc/45/32/72/887453272.db2.gz ADNVIQQRGSMOEW-OUAUKWLOSA-N 0 3 296.371 -1.046 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)CN1CCOCC1)C(N)=O ZINC001368095520 887453329 /nfs/dbraw/zinc/45/33/29/887453329.db2.gz CBQLLDUACXSDKT-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001368119878 887453432 /nfs/dbraw/zinc/45/34/32/887453432.db2.gz SUOZEWVWGDXHMR-NXEZZACHSA-N 0 3 299.375 -1.111 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)Cn1ccccc1=O ZINC001368122815 887453535 /nfs/dbraw/zinc/45/35/35/887453535.db2.gz YQQUASRHBQJRFT-NSHDSACASA-N 0 3 292.339 -1.086 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001368107818 887453588 /nfs/dbraw/zinc/45/35/88/887453588.db2.gz IFNUKHZEDDYERF-BDAKNGLRSA-N 0 3 270.333 -1.436 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@]1(C)CCN(CCO)C1 ZINC001368151973 887453610 /nfs/dbraw/zinc/45/36/10/887453610.db2.gz KGRZDSYKJPCBDC-CYBMUJFWSA-N 0 3 287.360 -1.336 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001368104498 887453920 /nfs/dbraw/zinc/45/39/20/887453920.db2.gz IHURSWNZHYGLPH-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001368099833 887454135 /nfs/dbraw/zinc/45/41/35/887454135.db2.gz MWALPQKOCQEBSP-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)c1nccnc1N ZINC001368102866 887454196 /nfs/dbraw/zinc/45/41/96/887454196.db2.gz QXXVYAYSAKKKON-MRVPVSSYSA-N 0 3 278.316 -1.262 20 0 CAADHN Cc1nonc1CC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001368128609 887454221 /nfs/dbraw/zinc/45/42/21/887454221.db2.gz USMWGMCWLMWSEO-SECBINFHSA-N 0 3 281.316 -1.014 20 0 CAADHN Cc1nonc1CC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001368128610 887454573 /nfs/dbraw/zinc/45/45/73/887454573.db2.gz USMWGMCWLMWSEO-VIFPVBQESA-N 0 3 281.316 -1.014 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001368152052 887454605 /nfs/dbraw/zinc/45/46/05/887454605.db2.gz JZZWERWPQJLANE-NSHDSACASA-N 0 3 293.389 -1.501 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CCCC1 ZINC001368137137 887454766 /nfs/dbraw/zinc/45/47/66/887454766.db2.gz DUCDDVHFKNRIIH-NXEZZACHSA-N 0 3 298.343 -1.155 20 0 CAADHN NC(=O)NCCC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001368112381 887454824 /nfs/dbraw/zinc/45/48/24/887454824.db2.gz AZYXAEJEDQDLCU-ZJUUUORDSA-N 0 3 297.359 -1.486 20 0 CAADHN C[C@@]1(NC(=O)CCc2cnn[nH]2)CCN(CC(N)=O)C1 ZINC001368167529 887456568 /nfs/dbraw/zinc/45/65/68/887456568.db2.gz CTGPPDZJFZYKKY-GFCCVEGCSA-N 0 3 280.332 -1.197 20 0 CAADHN COC[C@@H](O)CN1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001368161152 887456610 /nfs/dbraw/zinc/45/66/10/887456610.db2.gz HYPAEWMFJWDMAU-CABZTGNLSA-N 0 3 298.347 -1.588 20 0 CAADHN CC(C)(O)CC(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001368220284 887457927 /nfs/dbraw/zinc/45/79/27/887457927.db2.gz BURWXPYDFIQCEU-UHFFFAOYSA-N 0 3 287.360 -1.112 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2ncc[nH]2)CCOCC1 ZINC001368233831 887458197 /nfs/dbraw/zinc/45/81/97/887458197.db2.gz WVMJIQFJVLNOMK-UHFFFAOYSA-N 0 3 281.316 -1.236 20 0 CAADHN CNC(=O)NC(=O)CNC1(CNC(C)=O)CCOCC1 ZINC001368223120 887459405 /nfs/dbraw/zinc/45/94/05/887459405.db2.gz FGIFRUATCNDSKW-UHFFFAOYSA-N 0 3 286.332 -1.283 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001368255588 887462353 /nfs/dbraw/zinc/46/23/53/887462353.db2.gz CVGKLDLYKGADBR-ZDUSSCGKSA-N 0 3 296.327 -1.417 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001368255584 887462533 /nfs/dbraw/zinc/46/25/33/887462533.db2.gz CVGKLDLYKGADBR-CYBMUJFWSA-N 0 3 296.327 -1.417 20 0 CAADHN COC[C@H](O)CN1CC[C@](O)(CNC(=O)c2cnco2)C1 ZINC001368257909 887463026 /nfs/dbraw/zinc/46/30/26/887463026.db2.gz NUXPVNGECOYDKQ-MFKMUULPSA-N 0 3 299.327 -1.152 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001368262332 887463685 /nfs/dbraw/zinc/46/36/85/887463685.db2.gz GNXPFTYZKDNCIC-SMDDNHRTSA-N 0 3 299.371 -1.193 20 0 CAADHN COC[C@@H](O)CN1CC[C@@](O)(CNC(=O)c2cocn2)C1 ZINC001368248284 887464037 /nfs/dbraw/zinc/46/40/37/887464037.db2.gz RDDAHUSSZDAVJW-GXFFZTMASA-N 0 3 299.327 -1.152 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cccc(=O)[nH]1 ZINC001368244140 887464270 /nfs/dbraw/zinc/46/42/70/887464270.db2.gz DBNKZJXQNXBXSC-CYBMUJFWSA-N 0 3 281.312 -1.054 20 0 CAADHN O=C(CCn1ccnn1)NC[C@]1(O)CCN(CCO)C1 ZINC001368256975 887464286 /nfs/dbraw/zinc/46/42/86/887464286.db2.gz BGKYUMXEVQYWCC-GFCCVEGCSA-N 0 3 283.332 -1.787 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001368276295 887465369 /nfs/dbraw/zinc/46/53/69/887465369.db2.gz WDSWAKFPUNRIQY-LLVKDONJSA-N 0 3 270.289 -1.117 20 0 CAADHN O=C(CCn1cnnn1)NC[C@@]1(O)CCN(CCO)C1 ZINC001368271316 887465511 /nfs/dbraw/zinc/46/55/11/887465511.db2.gz DZJCALVQWGATNI-NSHDSACASA-N 0 3 284.320 -2.392 20 0 CAADHN O=C(CCn1cnnn1)NC[C@]1(O)CCN(CCO)C1 ZINC001368271315 887465694 /nfs/dbraw/zinc/46/56/94/887465694.db2.gz DZJCALVQWGATNI-LLVKDONJSA-N 0 3 284.320 -2.392 20 0 CAADHN COC[C@@H](OC)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001368269279 887465771 /nfs/dbraw/zinc/46/57/71/887465771.db2.gz DQCVPIRADYAWPG-OPRDCNLKSA-N 0 3 273.333 -1.430 20 0 CAADHN C[C@]1(C(=O)NC[C@@]2(O)CCN(CCO)C2)CCC(=O)NC1 ZINC001368266992 887465961 /nfs/dbraw/zinc/46/59/61/887465961.db2.gz OHVJJCAHAGLHEB-KBPBESRZSA-N 0 3 299.371 -1.552 20 0 CAADHN Cc1nonc1C(=O)NC[C@]1(O)CCN(CCCO)C1 ZINC001368277815 887466063 /nfs/dbraw/zinc/46/60/63/887466063.db2.gz TVBWCRRTHHBTLC-GFCCVEGCSA-N 0 3 284.316 -1.073 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)CCCC(N)=O)C1 ZINC001368274968 887466558 /nfs/dbraw/zinc/46/65/58/887466558.db2.gz HTNYEQUIJDUENQ-ZDUSSCGKSA-N 0 3 287.360 -1.159 20 0 CAADHN COC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001368275593 887467148 /nfs/dbraw/zinc/46/71/48/887467148.db2.gz GXMNNMHRLXSHSE-ZWNOBZJWSA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001368275593 887467153 /nfs/dbraw/zinc/46/71/53/887467153.db2.gz GXMNNMHRLXSHSE-ZWNOBZJWSA-N 0 3 297.359 -1.065 20 0 CAADHN Cn1cnn(CC(=O)NC[C@@]2(O)CCN(CCO)C2)c1=O ZINC001368266964 887467457 /nfs/dbraw/zinc/46/74/57/887467457.db2.gz YMYHXZYKUGHVEB-LBPRGKRZSA-N 0 3 299.331 -2.873 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368281973 887470320 /nfs/dbraw/zinc/47/03/20/887470320.db2.gz RXNJIYAVOPZFMJ-PELKAZGASA-N 0 3 296.331 -2.226 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368281977 887471125 /nfs/dbraw/zinc/47/11/25/887471125.db2.gz RXNJIYAVOPZFMJ-PRHODGIISA-N 0 3 296.331 -2.226 20 0 CAADHN O=C(CCc1nnc[nH]1)N[C@]1(CO)CCCN(CCO)C1 ZINC001368365305 887479692 /nfs/dbraw/zinc/47/96/92/887479692.db2.gz CTWBDHWHBLUPSE-CYBMUJFWSA-N 0 3 297.359 -1.327 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001368330997 887481119 /nfs/dbraw/zinc/48/11/19/887481119.db2.gz UVTFCXGHYFKSLB-LLVKDONJSA-N 0 3 298.387 -1.622 20 0 CAADHN O=C(N[C@]1(CO)CCCN(CCCO)C1)[C@H]1CCC(=O)N1 ZINC001368375926 887482327 /nfs/dbraw/zinc/48/23/27/887482327.db2.gz UGKRQXDPIRRKIW-BXUZGUMPSA-N 0 3 299.371 -1.410 20 0 CAADHN O=C(C1=CCOCC1)N(CCO)CCN[C@H]1CCNC1=O ZINC001368394227 887482351 /nfs/dbraw/zinc/48/23/51/887482351.db2.gz PKPFETNVZUUXQK-LBPRGKRZSA-N 0 3 297.355 -1.368 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@H](C)n1cncn1)C(N)=O ZINC001368398004 887482504 /nfs/dbraw/zinc/48/25/04/887482504.db2.gz YFEOEIRMSGPXEK-NXEZZACHSA-N 0 3 298.347 -1.877 20 0 CAADHN CC(=O)N(C)CC(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001368384613 887483083 /nfs/dbraw/zinc/48/30/83/887483083.db2.gz DAKRWFIGSXBGQE-SECBINFHSA-N 0 3 288.348 -2.251 20 0 CAADHN Cc1nocc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001368393521 887483224 /nfs/dbraw/zinc/48/32/24/887483224.db2.gz FUKXUUBINUZPLO-SECBINFHSA-N 0 3 284.316 -1.119 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cnco1)C(N)=O ZINC001368397340 887482985 /nfs/dbraw/zinc/48/29/85/887482985.db2.gz MTYHTDCVEKAXJA-MRVPVSSYSA-N 0 3 270.289 -1.428 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@@H](C)OC ZINC001368390338 887483155 /nfs/dbraw/zinc/48/31/55/887483155.db2.gz DZECWUVSUZANJM-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN Cc1nocc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001368393528 887483202 /nfs/dbraw/zinc/48/32/02/887483202.db2.gz FUKXUUBINUZPLO-VIFPVBQESA-N 0 3 284.316 -1.119 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001368392292 887483251 /nfs/dbraw/zinc/48/32/51/887483251.db2.gz KSIORJLMSLGBAH-VIFPVBQESA-N 0 3 296.327 -1.315 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)c2ncc[nH]2)C1=O ZINC001368396008 887483323 /nfs/dbraw/zinc/48/33/23/887483323.db2.gz UIHNLQZHSDLMBY-SNVBAGLBSA-N 0 3 295.343 -1.336 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H]1CC1(F)F)C(N)=O ZINC001368395996 887483341 /nfs/dbraw/zinc/48/33/41/887483341.db2.gz UHEFFHFNNKOOMU-JGVFFNPUSA-N 0 3 279.287 -1.074 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)[nH]n1 ZINC001368389285 887483483 /nfs/dbraw/zinc/48/34/83/887483483.db2.gz ALCXKFVDVOUUIQ-JTQLQIEISA-N 0 3 295.343 -1.369 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)n[nH]1 ZINC001368389285 887483491 /nfs/dbraw/zinc/48/34/91/887483491.db2.gz ALCXKFVDVOUUIQ-JTQLQIEISA-N 0 3 295.343 -1.369 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cn[nH]n1)C(N)=O ZINC001368393852 887484110 /nfs/dbraw/zinc/48/41/10/887484110.db2.gz FMKHCSPWOPJDOH-ZETCQYMHSA-N 0 3 270.293 -2.297 20 0 CAADHN CC(C)C(=O)N(CCO)CCN[C@@H](C)C(=O)NC(N)=O ZINC001368385282 887484462 /nfs/dbraw/zinc/48/44/62/887484462.db2.gz GAFKMVOEDGWLDT-VIFPVBQESA-N 0 3 288.348 -1.364 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001368390950 887484516 /nfs/dbraw/zinc/48/45/16/887484516.db2.gz FRFXXNNCXCZWBN-VHSXEESVSA-N 0 3 275.349 -1.712 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001368390948 887484730 /nfs/dbraw/zinc/48/47/30/887484730.db2.gz FRFXXNNCXCZWBN-NXEZZACHSA-N 0 3 275.349 -1.712 20 0 CAADHN O=C(Cc1ccon1)N(CCO)CCN[C@H]1CCNC1=O ZINC001368389297 887485049 /nfs/dbraw/zinc/48/50/49/887485049.db2.gz ANJKGVRHWZDOCE-NSHDSACASA-N 0 3 296.327 -1.484 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cccnn1 ZINC001368402611 887486283 /nfs/dbraw/zinc/48/62/83/887486283.db2.gz YKIIHIIGDRVHDP-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1ccncn1 ZINC001368402405 887486355 /nfs/dbraw/zinc/48/63/55/887486355.db2.gz XYOAUHIPTQJGBO-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)Cn2cnnn2)CCC1 ZINC001368458281 887486393 /nfs/dbraw/zinc/48/63/93/887486393.db2.gz AKIZHVIMKRYVDN-UHFFFAOYSA-N 0 3 295.347 -1.610 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001368445807 887486759 /nfs/dbraw/zinc/48/67/59/887486759.db2.gz ABSWVBRYFSQLOG-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN Cn1cnc(C(=O)N2CCCC[C@@H]2CNCC(N)=O)n1 ZINC001368458323 887486822 /nfs/dbraw/zinc/48/68/22/887486822.db2.gz QYZGAWOWBWBJFF-SECBINFHSA-N 0 3 280.332 -1.115 20 0 CAADHN CNC(=O)CNC1(CNC(=O)C[C@H](C)NC(N)=O)CCC1 ZINC001368468931 887486907 /nfs/dbraw/zinc/48/69/07/887486907.db2.gz UUCBYDPHGGIFBA-VIFPVBQESA-N 0 3 299.375 -1.192 20 0 CAADHN Cc1nnc(CC(=O)N(CCO)CCN[C@@H](C)C(N)=O)[nH]1 ZINC001368398364 887486923 /nfs/dbraw/zinc/48/69/23/887486923.db2.gz ZGGCVEFXQCJSEL-QMMMGPOBSA-N 0 3 298.347 -2.060 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)CNC(=O)C1CC1 ZINC001368445864 887486938 /nfs/dbraw/zinc/48/69/38/887486938.db2.gz BSGODVBYRKRFJR-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN O=C(Cc1ncc[nH]1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001368402268 887487027 /nfs/dbraw/zinc/48/70/27/887487027.db2.gz XDVXUIFLOYWWIH-SNVBAGLBSA-N 0 3 295.343 -1.749 20 0 CAADHN CNC(=O)CNC1(CNC(=O)C[C@@H](C)NC(N)=O)CCC1 ZINC001368468929 887487044 /nfs/dbraw/zinc/48/70/44/887487044.db2.gz UUCBYDPHGGIFBA-SECBINFHSA-N 0 3 299.375 -1.192 20 0 CAADHN O=C(c1ncc[nH]1)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001368398146 887487185 /nfs/dbraw/zinc/48/71/85/887487185.db2.gz YVLULUORUOIWAW-SNVBAGLBSA-N 0 3 295.343 -1.288 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001368443728 887487793 /nfs/dbraw/zinc/48/77/93/887487793.db2.gz MZDXOTKVTQKVOP-VXGBXAGGSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1nnn(C)n1 ZINC001368400707 887487959 /nfs/dbraw/zinc/48/79/59/887487959.db2.gz UHWWXMLKVQDGBE-QMMMGPOBSA-N 0 3 299.335 -2.631 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@@H]1CN[C@H](C)C(N)=O ZINC001368443772 887488193 /nfs/dbraw/zinc/48/81/93/887488193.db2.gz NFLWGIBKQUVRHZ-MWLCHTKSSA-N 0 3 284.360 -1.033 20 0 CAADHN COCC(C)(C)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001368524577 887489950 /nfs/dbraw/zinc/48/99/50/887489950.db2.gz XYRFEYAWTQQZFR-JTQLQIEISA-N 0 3 287.360 -1.039 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)Cc2cnoc2)CCO1)C(N)=O ZINC001368504880 887490187 /nfs/dbraw/zinc/49/01/87/887490187.db2.gz LCNPTLKSEWZIPB-MWLCHTKSSA-N 0 3 296.327 -1.092 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001368507709 887490295 /nfs/dbraw/zinc/49/02/95/887490295.db2.gz ARHALNYQLBIILJ-JTQLQIEISA-N 0 3 295.343 -1.403 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001368505661 887490309 /nfs/dbraw/zinc/49/03/09/887490309.db2.gz NRYKDRUXATXWDF-NSHDSACASA-N 0 3 295.343 -1.024 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CCNC(N)=O)CCC1 ZINC001368487403 887490380 /nfs/dbraw/zinc/49/03/80/887490380.db2.gz RLAMZBOUVLSHCX-UHFFFAOYSA-N 0 3 285.348 -1.581 20 0 CAADHN Cc1nonc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001368524944 887490424 /nfs/dbraw/zinc/49/04/24/887490424.db2.gz ZMVBQEOXVPPFJU-MRVPVSSYSA-N 0 3 283.288 -1.706 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001368509175 887490913 /nfs/dbraw/zinc/49/09/13/887490913.db2.gz KFHXRUHWXWHSRN-IUCAKERBSA-N 0 3 284.316 -2.433 20 0 CAADHN CCCC(=O)N1CCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001368503228 887491069 /nfs/dbraw/zinc/49/10/69/887491069.db2.gz PNRCVDAYNGKCSS-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C2=COCCC2)CCO1 ZINC001368513176 887491105 /nfs/dbraw/zinc/49/11/05/887491105.db2.gz HSBNKUOBMIRIJJ-NSHDSACASA-N 0 3 283.328 -1.017 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)Cc2cnoc2)CCO1)C(N)=O ZINC001368504881 887491538 /nfs/dbraw/zinc/49/15/38/887491538.db2.gz LCNPTLKSEWZIPB-ONGXEEELSA-N 0 3 296.327 -1.092 20 0 CAADHN Cc1nc(C)c(C(=O)N2CCO[C@H](CNCC(N)=O)C2)[nH]1 ZINC001368540033 887491563 /nfs/dbraw/zinc/49/15/63/887491563.db2.gz ZPIGGQIBYCXFKS-SNVBAGLBSA-N 0 3 295.343 -1.058 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001368509115 887491613 /nfs/dbraw/zinc/49/16/13/887491613.db2.gz KFHXRUHWXWHSRN-BDAKNGLRSA-N 0 3 284.316 -2.433 20 0 CAADHN NC(=O)NC(=O)CNC[C@H]1CN(C(=O)CC2CC2)CCO1 ZINC001368502717 887491873 /nfs/dbraw/zinc/49/18/73/887491873.db2.gz OIWRVCJQNNNICK-JTQLQIEISA-N 0 3 298.343 -1.202 20 0 CAADHN Cc1cn(C)nc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001368578245 887494419 /nfs/dbraw/zinc/49/44/19/887494419.db2.gz JFRJCBAINCZPRW-SNVBAGLBSA-N 0 3 295.343 -1.356 20 0 CAADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1NCC(=O)N(C)C ZINC001368662649 887496062 /nfs/dbraw/zinc/49/60/62/887496062.db2.gz MDSZYJAOVISAAH-ZJUUUORDSA-N 0 3 294.359 -1.047 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2cn[nH]c2)CC1 ZINC001368688903 887496246 /nfs/dbraw/zinc/49/62/46/887496246.db2.gz VDGIGUDGJOLKMK-UHFFFAOYSA-N 0 3 281.316 -1.548 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC)C1 ZINC001368654156 887496459 /nfs/dbraw/zinc/49/64/59/887496459.db2.gz XHZGCYGMONKPJR-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CCC(=O)N1CCC(O)(CNCC(=O)NC(N)=O)CC1 ZINC001368677167 887496379 /nfs/dbraw/zinc/49/63/79/887496379.db2.gz IYGQPJNDQOSXAQ-UHFFFAOYSA-N 0 3 286.332 -1.466 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2cncnc2)CC1 ZINC001368691568 887496700 /nfs/dbraw/zinc/49/67/00/887496700.db2.gz XAJLCOHDNUKFAM-UHFFFAOYSA-N 0 3 293.327 -1.481 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001368642317 887497887 /nfs/dbraw/zinc/49/78/87/887497887.db2.gz MZBNKOQYNCCYSJ-GMTAPVOTSA-N 0 3 296.371 -1.020 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@H](NCC(=O)NC)[C@@H](C)C1 ZINC001368654153 887497905 /nfs/dbraw/zinc/49/79/05/887497905.db2.gz XHZGCYGMONKPJR-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)NC(=O)CNCC1(O)CCN(C(C)=O)CC1 ZINC001368678329 887497955 /nfs/dbraw/zinc/49/79/55/887497955.db2.gz NOISVLOWTFPXGH-UHFFFAOYSA-N 0 3 286.332 -1.595 20 0 CAADHN C[C@@H]([NH2+]CC1(O)CCN(C(=O)c2nc[n-]n2)CC1)C(N)=O ZINC001368694368 887498038 /nfs/dbraw/zinc/49/80/38/887498038.db2.gz VIVMLTZJIISBKD-MRVPVSSYSA-N 0 3 296.331 -1.765 20 0 CAADHN C[C@H]([NH2+]CC1(O)CCN(C(=O)c2nc[n-]n2)CC1)C(N)=O ZINC001368694371 887498045 /nfs/dbraw/zinc/49/80/45/887498045.db2.gz VIVMLTZJIISBKD-QMMMGPOBSA-N 0 3 296.331 -1.765 20 0 CAADHN C[C@H](NCC1(O)CCN(C(=O)c2cnon2)CC1)C(N)=O ZINC001368694914 887498051 /nfs/dbraw/zinc/49/80/51/887498051.db2.gz ZBSDVDXVXSANRW-QMMMGPOBSA-N 0 3 297.315 -1.500 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C ZINC001368658918 887498057 /nfs/dbraw/zinc/49/80/57/887498057.db2.gz OFECJIADPLBGBV-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN Cn1cncc1C(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001368629351 887498094 /nfs/dbraw/zinc/49/80/94/887498094.db2.gz LSKLBZOGJQIPBY-UHFFFAOYSA-N 0 3 295.343 -1.226 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C ZINC001368659546 887498135 /nfs/dbraw/zinc/49/81/35/887498135.db2.gz SVKFGPDKVUPSEU-BDAKNGLRSA-N 0 3 295.343 -1.078 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@@H]1C ZINC001368659563 887498209 /nfs/dbraw/zinc/49/82/09/887498209.db2.gz SVKFGPDKVUPSEU-IUCAKERBSA-N 0 3 295.343 -1.078 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1C ZINC001368653535 887498256 /nfs/dbraw/zinc/49/82/56/887498256.db2.gz WSFZFGFYIRIUDR-BDAKNGLRSA-N 0 3 292.343 -1.145 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC1(CO)CCN(CCO)CC1 ZINC001368761637 887500474 /nfs/dbraw/zinc/50/04/74/887500474.db2.gz MITRJPKACYAQNG-LLVKDONJSA-N 0 3 274.361 -1.061 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CCCS(N)(=O)=O)CCN1CCO ZINC001368782780 887500525 /nfs/dbraw/zinc/50/05/25/887500525.db2.gz SYHDPKDSPGIZQJ-ZJUUUORDSA-N 0 3 293.389 -1.374 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@]12C[C@H]1COC2 ZINC001368759903 887500605 /nfs/dbraw/zinc/50/06/05/887500605.db2.gz JPHOIERVJUNWOA-FZMZJTMJSA-N 0 3 284.356 -1.042 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC001368782749 887500981 /nfs/dbraw/zinc/50/09/81/887500981.db2.gz ROWQDKPLGCIMPZ-BBBLOLIVSA-N 0 3 298.347 -1.590 20 0 CAADHN O=C(Cn1cncn1)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001368738765 887501999 /nfs/dbraw/zinc/50/19/99/887501999.db2.gz VRCUSHSIAXMHHX-GFCCVEGCSA-N 0 3 297.359 -1.444 20 0 CAADHN O=C(CCc1nnc[nH]1)NC1(CO)CCN(CCO)CC1 ZINC001368767016 887502141 /nfs/dbraw/zinc/50/21/41/887502141.db2.gz RKLDENCKSKKYHA-UHFFFAOYSA-N 0 3 297.359 -1.327 20 0 CAADHN CN(CCO)C[C@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001368797879 887502865 /nfs/dbraw/zinc/50/28/65/887502865.db2.gz LZJYNOLSGUABBQ-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)NCCF ZINC001368883024 887504347 /nfs/dbraw/zinc/50/43/47/887504347.db2.gz WDRZETVQKRWLNP-YUMQZZPRSA-N 0 3 284.357 -1.508 20 0 CAADHN C[C@@H](NC(=O)Cc1ccon1)[C@H](C)NCC(=O)NC(N)=O ZINC001368860356 887504372 /nfs/dbraw/zinc/50/43/72/887504372.db2.gz OPXXVKAGXKVVNR-JGVFFNPUSA-N 0 3 297.315 -1.105 20 0 CAADHN Cc1nc(CN[C@@H](C)[C@H](C)NC(=O)Cn2ncnn2)n[nH]1 ZINC001368867046 887505119 /nfs/dbraw/zinc/50/51/19/887505119.db2.gz RUBSGWCKPVGJHU-YUMQZZPRSA-N 0 3 293.335 -1.217 20 0 CAADHN CCOCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC(N)=O ZINC001368839649 887505212 /nfs/dbraw/zinc/50/52/12/887505212.db2.gz UWNZSXPHMNKRCB-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN COCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCOCC1 ZINC001368826692 887505641 /nfs/dbraw/zinc/50/56/41/887505641.db2.gz YRBVGVAIZKLTTQ-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001368899272 887505699 /nfs/dbraw/zinc/50/56/99/887505699.db2.gz RZEKAZCBQNHZMV-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN CCOCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC(N)=O ZINC001368839633 887505728 /nfs/dbraw/zinc/50/57/28/887505728.db2.gz UWNZSXPHMNKRCB-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001368858051 887505991 /nfs/dbraw/zinc/50/59/91/887505991.db2.gz UROOQGXJMNAAOR-IUCAKERBSA-N 0 3 293.389 -1.350 20 0 CAADHN CNC(=O)CCCC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001368848678 887506062 /nfs/dbraw/zinc/50/60/62/887506062.db2.gz UUNSQMVEKHNPDR-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001368862648 887506348 /nfs/dbraw/zinc/50/63/48/887506348.db2.gz ODCWPQOJKFDSDD-UWVGGRQHSA-N 0 3 297.363 -1.320 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)Cc1ccon1 ZINC001368860360 887506437 /nfs/dbraw/zinc/50/64/37/887506437.db2.gz OPXXVKAGXKVVNR-SFYZADRCSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001368870134 887506548 /nfs/dbraw/zinc/50/65/48/887506548.db2.gz TWXZDCGZURHROC-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)NCCF ZINC001368883015 887506611 /nfs/dbraw/zinc/50/66/11/887506611.db2.gz WDRZETVQKRWLNP-JGVFFNPUSA-N 0 3 284.357 -1.508 20 0 CAADHN C[C@@H](NC(=O)CNC(=O)N1CCCC1)[C@H](C)NCC(N)=O ZINC001368870138 887506832 /nfs/dbraw/zinc/50/68/32/887506832.db2.gz TWXZDCGZURHROC-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](NC(=O)CN1CCCCC1=O)[C@H](C)NCC(N)=O ZINC001368856621 887506971 /nfs/dbraw/zinc/50/69/71/887506971.db2.gz DJYUBPLEASVAII-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001368866234 887507405 /nfs/dbraw/zinc/50/74/05/887507405.db2.gz IPXRTSCHALTYAF-IUCAKERBSA-N 0 3 285.348 -2.614 20 0 CAADHN COc1c[nH]c(C(=O)N[C@H](C)[C@@H](C)NCC(N)=O)cc1=O ZINC001368855332 887507164 /nfs/dbraw/zinc/50/71/64/887507164.db2.gz LGTQGFUTMOGSRN-HTQZYQBOSA-N 0 3 296.327 -1.035 20 0 CAADHN COCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N1CCOCC1 ZINC001368826693 887507225 /nfs/dbraw/zinc/50/72/25/887507225.db2.gz YRBVGVAIZKLTTQ-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1ccn(C)n1 ZINC001368910246 887507490 /nfs/dbraw/zinc/50/74/90/887507490.db2.gz KOVMDONMYRTWKA-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](NC(=O)CCc1cn(C)nn1)[C@H](C)NCC(N)=O ZINC001368900938 887507549 /nfs/dbraw/zinc/50/75/49/887507549.db2.gz DBIBIRLJGYZOMS-DTWKUNHWSA-N 0 3 282.348 -1.284 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001368866684 887507571 /nfs/dbraw/zinc/50/75/71/887507571.db2.gz OQVKIBQYIFBZHK-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)CNC(C)=O ZINC001368930726 887508809 /nfs/dbraw/zinc/50/88/09/887508809.db2.gz MWVYWGIBXFWPES-GXSJLCMTSA-N 0 3 275.349 -1.434 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001368985464 887509949 /nfs/dbraw/zinc/50/99/49/887509949.db2.gz QTSYJKIABDOKDN-DTWKUNHWSA-N 0 3 286.336 -1.733 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[nH]1)N(C)[C@H]1CCNC1=O ZINC001369004364 887512936 /nfs/dbraw/zinc/51/29/36/887512936.db2.gz VOPYCOKUCOIZRL-IUCAKERBSA-N 0 3 280.332 -1.328 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[nH]1)N(C)[C@@H]1CCNC1=O ZINC001369004365 887514109 /nfs/dbraw/zinc/51/41/09/887514109.db2.gz VOPYCOKUCOIZRL-RKDXNWHRSA-N 0 3 280.332 -1.328 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[nH]1)N(C)[C@H]1CCNC1=O ZINC001369004362 887514403 /nfs/dbraw/zinc/51/44/03/887514403.db2.gz VOPYCOKUCOIZRL-BDAKNGLRSA-N 0 3 280.332 -1.328 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001368995293 887514844 /nfs/dbraw/zinc/51/48/44/887514844.db2.gz VTAWRPKOESFBSP-NXEZZACHSA-N 0 3 285.348 -1.128 20 0 CAADHN COCCN(C)[C@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001368999250 887515095 /nfs/dbraw/zinc/51/50/95/887515095.db2.gz JMWVNCVVOICMSP-NXEZZACHSA-N 0 3 293.389 -1.239 20 0 CAADHN O=C(Cc1cnc[nH]1)NC1(CCO)CN(CCCO)C1 ZINC001369026803 887518620 /nfs/dbraw/zinc/51/86/20/887518620.db2.gz HGIWRNZVRLNEQF-UHFFFAOYSA-N 0 3 282.344 -1.112 20 0 CAADHN COC[C@@H](O)CN1CC([C@@H](C)NC(=O)CNC(C)=O)C1 ZINC001369074558 887521611 /nfs/dbraw/zinc/52/16/11/887521611.db2.gz WNQGUEWNSGJMBE-SKDRFNHKSA-N 0 3 287.360 -1.434 20 0 CAADHN COC[C@@H](O)CN1CC([C@H](C)NC(=O)Cn2cncn2)C1 ZINC001369099730 887521663 /nfs/dbraw/zinc/52/16/63/887521663.db2.gz ZPPGUIUKQBZPOQ-JQWIXIFHSA-N 0 3 297.359 -1.278 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001369148630 887521690 /nfs/dbraw/zinc/52/16/90/887521690.db2.gz NBYMHVMQDVXXRV-WPRPVWTQSA-N 0 3 296.331 -1.881 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)C1CN(C[C@H](C)O)C1 ZINC001369096330 887521957 /nfs/dbraw/zinc/52/19/57/887521957.db2.gz BIPRQYQTLMCBID-DTWKUNHWSA-N 0 3 293.389 -1.647 20 0 CAADHN CCOCC(=O)N1CCO[C@@H]([C@H](C)NCC(N)=O)C1 ZINC001369150783 887522738 /nfs/dbraw/zinc/52/27/38/887522738.db2.gz VICCJJWRMSTAPC-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001369145219 887522831 /nfs/dbraw/zinc/52/28/31/887522831.db2.gz LYUSXLHAJUWAMD-MWLCHTKSSA-N 0 3 295.343 -1.025 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)C1CN(C[C@H](C)O)C1 ZINC001369096333 887523087 /nfs/dbraw/zinc/52/30/87/887523087.db2.gz BIPRQYQTLMCBID-IUCAKERBSA-N 0 3 293.389 -1.647 20 0 CAADHN COC[C@@H](O)CN1CC([C@H](C)NC(=O)CNC(C)=O)C1 ZINC001369074551 887523100 /nfs/dbraw/zinc/52/31/00/887523100.db2.gz WNQGUEWNSGJMBE-CABZTGNLSA-N 0 3 287.360 -1.434 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)C1CN(C[C@@H](C)O)C1 ZINC001369096326 887523218 /nfs/dbraw/zinc/52/32/18/887523218.db2.gz BIPRQYQTLMCBID-BDAKNGLRSA-N 0 3 293.389 -1.647 20 0 CAADHN COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)Cc2nnc[n-]2)C1 ZINC001369099053 887523316 /nfs/dbraw/zinc/52/33/16/887523316.db2.gz SECWTPDCBDNDBK-GXSJLCMTSA-N 0 3 297.359 -1.209 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001369145220 887523348 /nfs/dbraw/zinc/52/33/48/887523348.db2.gz LYUSXLHAJUWAMD-ONGXEEELSA-N 0 3 295.343 -1.025 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001369205499 887525023 /nfs/dbraw/zinc/52/50/23/887525023.db2.gz BCDNQXNUUYIMGJ-SNVBAGLBSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CN1CCOCC1)C(N)=O ZINC001369245968 887524698 /nfs/dbraw/zinc/52/46/98/887524698.db2.gz SCVRVMZSSYPOQC-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN CN(C(=O)[C@@H]1CCC(=O)N1C)[C@H](CNCC(N)=O)C1CC1 ZINC001369223767 887524847 /nfs/dbraw/zinc/52/48/47/887524847.db2.gz WFHZNUBKBZYIQZ-WDEREUQCSA-N 0 3 296.371 -1.081 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CNC(C)=O ZINC001369235635 887524869 /nfs/dbraw/zinc/52/48/69/887524869.db2.gz SIIIUDIWVOWBNH-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cnnn1)N[C@H]1CCNC1=O ZINC001369225698 887524914 /nfs/dbraw/zinc/52/49/14/887524914.db2.gz KUWHQRRCPJSJGY-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001369158349 887525516 /nfs/dbraw/zinc/52/55/16/887525516.db2.gz WCELOCGRYFGTMO-ZJUUUORDSA-N 0 3 295.343 -1.025 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001369206331 887525634 /nfs/dbraw/zinc/52/56/34/887525634.db2.gz CIZSGYYPPFSLCF-WPRPVWTQSA-N 0 3 299.375 -1.384 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001369179685 887525892 /nfs/dbraw/zinc/52/58/92/887525892.db2.gz MQPVWIWWFUPHSR-UHFFFAOYSA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1nccnc1N ZINC001369244386 887526382 /nfs/dbraw/zinc/52/63/82/887526382.db2.gz WZOPKVRLPAOPJU-MRVPVSSYSA-N 0 3 280.332 -1.145 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cc[nH]n1)NCC(=O)NC(N)=O ZINC001369227150 887526415 /nfs/dbraw/zinc/52/64/15/887526415.db2.gz BIAGWHUPZXIKGA-ZETCQYMHSA-N 0 3 282.304 -1.345 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CCc1cn(C)nn1 ZINC001369294022 887527858 /nfs/dbraw/zinc/52/78/58/887527858.db2.gz CKKZMDHLDRGUSM-JTQLQIEISA-N 0 3 296.375 -1.070 20 0 CAADHN C[C@H](CN(C)C(=O)CCCC(N)=O)N[C@@H](C)C(N)=O ZINC001369294409 887527968 /nfs/dbraw/zinc/52/79/68/887527968.db2.gz DIMFPGUZPKHDCH-BDAKNGLRSA-N 0 3 272.349 -1.048 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001369252255 887528464 /nfs/dbraw/zinc/52/84/64/887528464.db2.gz SHJRXUAIIUVILQ-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)NCC(N)=O ZINC001369280112 887528785 /nfs/dbraw/zinc/52/87/85/887528785.db2.gz QAGZRWKQPDHRCV-SFYZADRCSA-N 0 3 294.377 -2.154 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001369290663 887528948 /nfs/dbraw/zinc/52/89/48/887528948.db2.gz BNNZFYXTJGZING-SSDOTTSWSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)NCC(=O)N(C)C ZINC001369252896 887529461 /nfs/dbraw/zinc/52/94/61/887529461.db2.gz FNRYXLSHRBDUHE-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001369273386 887529530 /nfs/dbraw/zinc/52/95/30/887529530.db2.gz OVSZSCGBHLSAGA-ZJUUUORDSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ncccn1)NCC(=O)NC(N)=O ZINC001369289546 887529624 /nfs/dbraw/zinc/52/96/24/887529624.db2.gz OQFQCHCOFHSBPF-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CO[C@@H]1CCOC1 ZINC001369249475 887529646 /nfs/dbraw/zinc/52/96/46/887529646.db2.gz HCMCSJSDQWWMIK-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CCc1cn(C)nn1 ZINC001369294030 887530036 /nfs/dbraw/zinc/53/00/36/887530036.db2.gz CKKZMDHLDRGUSM-SNVBAGLBSA-N 0 3 296.375 -1.070 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](CO)NCc1ccccc1 ZINC001369305250 887531500 /nfs/dbraw/zinc/53/15/00/887531500.db2.gz COYYGUBKSUJCND-GFCCVEGCSA-N 0 3 290.327 -1.060 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001369318848 887539130 /nfs/dbraw/zinc/53/91/30/887539130.db2.gz PZJOOVXQIHZVMR-DTWKUNHWSA-N 0 3 298.347 -2.062 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC[C@H](CO)NCc1cnnn1C ZINC001369325868 887544510 /nfs/dbraw/zinc/54/45/10/887544510.db2.gz ZNALBFLMKSQAKK-ZYHUDNBSSA-N 0 3 296.375 -1.524 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NCc1cnnn1C)N(C)C ZINC001369335895 887546708 /nfs/dbraw/zinc/54/67/08/887546708.db2.gz XWYYEEPDTQSQOM-CMPLNLGQSA-N 0 3 298.391 -1.278 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001369335465 887548331 /nfs/dbraw/zinc/54/83/31/887548331.db2.gz MUNLHTLRNOZGFY-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nnn(C)n1)NCC(=O)NC1CC1 ZINC001369357193 887552485 /nfs/dbraw/zinc/55/24/85/887552485.db2.gz ZMQVPQOTWWITAB-QMMMGPOBSA-N 0 3 295.347 -1.461 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](CO)NCCC(F)(F)F)n1 ZINC001369354612 887552728 /nfs/dbraw/zinc/55/27/28/887552728.db2.gz OSSJWVDKYZFNNH-LURJTMIESA-N 0 3 296.253 -1.157 20 0 CAADHN CCNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCCN1C ZINC001369355563 887554185 /nfs/dbraw/zinc/55/41/85/887554185.db2.gz QTARMNGEJBSBLQ-GHMZBOCLSA-N 0 3 286.376 -1.717 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCS(C)(=O)=O ZINC001369383381 887561404 /nfs/dbraw/zinc/56/14/04/887561404.db2.gz FXNXBNXWRIRDOC-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN CN(C)C(=O)CN[C@@H](CO)CNC(=O)CN1CCCC1 ZINC001369383958 887562511 /nfs/dbraw/zinc/56/25/11/887562511.db2.gz OCIKIUKXQASQOM-LLVKDONJSA-N 0 3 286.376 -1.763 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NCc1cnn(C)n1 ZINC001369374364 887563062 /nfs/dbraw/zinc/56/30/62/887563062.db2.gz MRUCEDCBAHHVBI-LBPRGKRZSA-N 0 3 298.391 -1.278 20 0 CAADHN C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)c1nnn(C)n1 ZINC001369391628 887563970 /nfs/dbraw/zinc/56/39/70/887563970.db2.gz MJHVIEOWXMFXDP-DTWKUNHWSA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)NC[C@@H](CO)NCCF ZINC001369390260 887564009 /nfs/dbraw/zinc/56/40/09/887564009.db2.gz ZZGLRBFEDNXCLR-RYUDHWBXSA-N 0 3 291.367 -1.009 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2nccnc2N)[C@@H]1C ZINC001369386670 887564164 /nfs/dbraw/zinc/56/41/64/887564164.db2.gz LVFBQPBCKWXEEY-RKDXNWHRSA-N 0 3 292.343 -1.003 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001369436343 887564186 /nfs/dbraw/zinc/56/41/86/887564186.db2.gz KYRWPVAGGWHAGZ-MRVPVSSYSA-N 0 3 285.348 -1.773 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2=O)C1 ZINC001369389519 887564209 /nfs/dbraw/zinc/56/42/09/887564209.db2.gz QVUAYJBJNHMOTR-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CN(C)C(=O)COC ZINC001369439805 887564553 /nfs/dbraw/zinc/56/45/53/887564553.db2.gz FPDFLZMKESKKHD-QMMMGPOBSA-N 0 3 290.320 -2.503 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)Cn1cnnn1)C(N)=O ZINC001369441550 887564896 /nfs/dbraw/zinc/56/48/96/887564896.db2.gz LLKWCWZNTOHNOO-RKDXNWHRSA-N 0 3 299.335 -2.654 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)c1nnn(C)n1 ZINC001369391632 887565115 /nfs/dbraw/zinc/56/51/15/887565115.db2.gz MJHVIEOWXMFXDP-RKDXNWHRSA-N 0 3 295.347 -1.509 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC1(C)C ZINC001369431944 887565210 /nfs/dbraw/zinc/56/52/10/887565210.db2.gz CENMHRCJMNRUQE-DTWKUNHWSA-N 0 3 297.359 -1.760 20 0 CAADHN COCCC(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001369441284 887565317 /nfs/dbraw/zinc/56/53/17/887565317.db2.gz JQWFUWPPEWSPCE-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001369439443 887565725 /nfs/dbraw/zinc/56/57/25/887565725.db2.gz FFJIKNAAQKLLDG-HTQZYQBOSA-N 0 3 290.320 -2.375 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NC[C@@H](CO)NCCF ZINC001369390247 887565817 /nfs/dbraw/zinc/56/58/17/887565817.db2.gz ZZGLRBFEDNXCLR-NEPJUHHUSA-N 0 3 291.367 -1.009 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CN2CCCC2=O)C1 ZINC001369389530 887566076 /nfs/dbraw/zinc/56/60/76/887566076.db2.gz QVUAYJBJNHMOTR-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN COCCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001369441293 887566589 /nfs/dbraw/zinc/56/65/89/887566589.db2.gz JQWFUWPPEWSPCE-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001369444898 887567835 /nfs/dbraw/zinc/56/78/35/887567835.db2.gz OZPQQKLAOFIHDD-NSHDSACASA-N 0 3 297.359 -1.620 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001369448084 887568150 /nfs/dbraw/zinc/56/81/50/887568150.db2.gz GANITQUXNXWYBB-NSHDSACASA-N 0 3 297.359 -1.551 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)[C@@H]1CCCO1 ZINC001369453843 887568219 /nfs/dbraw/zinc/56/82/19/887568219.db2.gz LYFOIHIFHHBHFZ-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1cn[nH]c1 ZINC001369446921 887568584 /nfs/dbraw/zinc/56/85/84/887568584.db2.gz IYUOITNHVOTJGP-MNOVXSKESA-N 0 3 295.343 -1.337 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001369454447 887568754 /nfs/dbraw/zinc/56/87/54/887568754.db2.gz HTGUQSRPRWXSLC-SNVBAGLBSA-N 0 3 298.347 -2.177 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001369449975 887568774 /nfs/dbraw/zinc/56/87/74/887568774.db2.gz AWSILSDCEWNULO-NXEZZACHSA-N 0 3 273.333 -1.822 20 0 CAADHN Cc1ncncc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001369445152 887568823 /nfs/dbraw/zinc/56/88/23/887568823.db2.gz GBVKGVRFLCCUEF-VIFPVBQESA-N 0 3 281.316 -1.707 20 0 CAADHN Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)c1C ZINC001369454764 887569349 /nfs/dbraw/zinc/56/93/49/887569349.db2.gz XRAKGWDXOGYQSO-UWVGGRQHSA-N 0 3 297.359 -1.077 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1cn[nH]c1 ZINC001369446939 887569518 /nfs/dbraw/zinc/56/95/18/887569518.db2.gz IYUOITNHVOTJGP-WDEREUQCSA-N 0 3 295.343 -1.337 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ncoc1C ZINC001369456158 887569681 /nfs/dbraw/zinc/56/96/81/887569681.db2.gz QQSVMYFZIPCURE-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN Cc1ncoc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001369456032 887569752 /nfs/dbraw/zinc/56/97/52/887569752.db2.gz ASUPTNBBOYGNMY-DTWKUNHWSA-N 0 3 284.316 -1.121 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccccn1 ZINC001369447777 887569853 /nfs/dbraw/zinc/56/98/53/887569853.db2.gz BBVYXBHWQJRBSS-WDEREUQCSA-N 0 3 292.339 -1.007 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccnn1C ZINC001369451028 887570091 /nfs/dbraw/zinc/57/00/91/887570091.db2.gz CSUNFBUOGFLLBN-VHSXEESVSA-N 0 3 295.343 -1.669 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001369449488 887570402 /nfs/dbraw/zinc/57/04/02/887570402.db2.gz SNJOPBOGQKDGMM-YUMQZZPRSA-N 0 3 285.348 -1.645 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)ns1 ZINC001369453174 887570474 /nfs/dbraw/zinc/57/04/74/887570474.db2.gz CGXKPWSNYGYXAF-QMMMGPOBSA-N 0 3 286.357 -1.041 20 0 CAADHN Cc1ncoc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001369456031 887570670 /nfs/dbraw/zinc/57/06/70/887570670.db2.gz ASUPTNBBOYGNMY-BDAKNGLRSA-N 0 3 284.316 -1.121 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)COCC1CC1 ZINC001369452868 887570985 /nfs/dbraw/zinc/57/09/85/887570985.db2.gz UDYXXQGDQSYJOD-RYUDHWBXSA-N 0 3 299.371 -1.290 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cc[nH]c(=O)c1 ZINC001369457815 887572075 /nfs/dbraw/zinc/57/20/75/887572075.db2.gz FJDQJZPVLZUIFL-VIFPVBQESA-N 0 3 282.300 -1.705 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001369468529 887572442 /nfs/dbraw/zinc/57/24/42/887572442.db2.gz CTMHCFZQKDOYSF-MWLCHTKSSA-N 0 3 297.359 -1.504 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cc(C)n[nH]1 ZINC001369457897 887572795 /nfs/dbraw/zinc/57/27/95/887572795.db2.gz UTRBFDQBBXBVBF-NXEZZACHSA-N 0 3 297.359 -1.125 20 0 CAADHN CC(C)n1ccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001369469662 887572975 /nfs/dbraw/zinc/57/29/75/887572975.db2.gz GTQPIZJWZAQABU-SNVBAGLBSA-N 0 3 297.359 -1.028 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001369468438 887573041 /nfs/dbraw/zinc/57/30/41/887573041.db2.gz GAJNSOHWXUNQFP-QMMMGPOBSA-N 0 3 297.315 -2.049 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@H]1CCCCO1 ZINC001369457291 887573384 /nfs/dbraw/zinc/57/33/84/887573384.db2.gz DSAJHVYIVAQFQL-WDEREUQCSA-N 0 3 287.360 -1.160 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001369463248 887573419 /nfs/dbraw/zinc/57/34/19/887573419.db2.gz AZLKGPJNYZYNGW-SECBINFHSA-N 0 3 299.335 -2.830 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001369468531 887573462 /nfs/dbraw/zinc/57/34/62/887573462.db2.gz CTMHCFZQKDOYSF-ONGXEEELSA-N 0 3 297.359 -1.504 20 0 CAADHN Cc1ccnc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001369459192 887573477 /nfs/dbraw/zinc/57/34/77/887573477.db2.gz ZXDSHJNVOUGXJD-NXEZZACHSA-N 0 3 295.343 -1.319 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cnco1 ZINC001369472198 887574099 /nfs/dbraw/zinc/57/40/99/887574099.db2.gz ZQZBZULXMZUHDV-VIFPVBQESA-N 0 3 284.316 -1.215 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001369472266 887573819 /nfs/dbraw/zinc/57/38/19/887573819.db2.gz ZTJCSDJOEKAVCN-ZTHPDXAWSA-N 0 3 297.355 -1.696 20 0 CAADHN COCC1(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)CC1 ZINC001369468856 887573888 /nfs/dbraw/zinc/57/38/88/887573888.db2.gz OUCMVOODHBODJQ-VHSXEESVSA-N 0 3 287.360 -1.304 20 0 CAADHN CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001369469660 887573913 /nfs/dbraw/zinc/57/39/13/887573913.db2.gz GTQPIZJWZAQABU-JTQLQIEISA-N 0 3 297.359 -1.028 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001369469444 887573985 /nfs/dbraw/zinc/57/39/85/887573985.db2.gz HVKNMSZKBYOSJB-UWVGGRQHSA-N 0 3 295.343 -1.366 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001369469448 887574385 /nfs/dbraw/zinc/57/43/85/887574385.db2.gz HVKNMSZKBYOSJB-ZJUUUORDSA-N 0 3 295.343 -1.366 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001369467383 887574559 /nfs/dbraw/zinc/57/45/59/887574559.db2.gz APJACQAWTIMNEB-MRVPVSSYSA-N 0 3 284.320 -2.085 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001369467383 887574568 /nfs/dbraw/zinc/57/45/68/887574568.db2.gz APJACQAWTIMNEB-MRVPVSSYSA-N 0 3 284.320 -2.085 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1ncc[nH]1 ZINC001369460877 887574734 /nfs/dbraw/zinc/57/47/34/887574734.db2.gz NSKKWFVHNMVQLW-ZJUUUORDSA-N 0 3 295.343 -1.337 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1ncc[nH]1 ZINC001369460874 887574783 /nfs/dbraw/zinc/57/47/83/887574783.db2.gz NSKKWFVHNMVQLW-UWVGGRQHSA-N 0 3 295.343 -1.337 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001369467655 887574807 /nfs/dbraw/zinc/57/48/07/887574807.db2.gz CZVVZDCWRHGBRX-SECBINFHSA-N 0 3 298.347 -1.728 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CN1CCOCC1 ZINC001369461316 887574819 /nfs/dbraw/zinc/57/48/19/887574819.db2.gz MMTQPEPOOFXNQY-SNVBAGLBSA-N 0 3 288.348 -2.787 20 0 CAADHN CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)c1cn[nH]n1 ZINC001369472678 887576377 /nfs/dbraw/zinc/57/63/77/887576377.db2.gz KMJANMMAYONUTQ-SNVBAGLBSA-N 0 3 293.331 -1.239 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1cnn(C)n1 ZINC001369473519 887576423 /nfs/dbraw/zinc/57/64/23/887576423.db2.gz HGCBKGRAMAAPOB-JTQLQIEISA-N 0 3 298.347 -2.358 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cccn(C)c1=O ZINC001369489459 887576626 /nfs/dbraw/zinc/57/66/26/887576626.db2.gz XFKVBHWIJZXTJZ-VIFPVBQESA-N 0 3 296.327 -2.107 20 0 CAADHN CCOc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)[nH]n1 ZINC001369486929 887576738 /nfs/dbraw/zinc/57/67/38/887576738.db2.gz WVSCTZDRBPWXAN-QMMMGPOBSA-N 0 3 299.331 -1.684 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001369484048 887576881 /nfs/dbraw/zinc/57/68/81/887576881.db2.gz OJYAEQXPLZARLL-UWVGGRQHSA-N 0 3 297.359 -1.504 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001369472736 887576997 /nfs/dbraw/zinc/57/69/97/887576997.db2.gz KBPMDHYZUGFUPW-YUMQZZPRSA-N 0 3 287.320 -3.096 20 0 CAADHN CCn1cnc(C(=O)N(C)C[C@@H](O)CNCC(=O)NC)c1 ZINC001369481067 887577076 /nfs/dbraw/zinc/57/70/76/887577076.db2.gz GKVRCMDKJWBAQA-JTQLQIEISA-N 0 3 297.359 -1.329 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)CCn1cnnn1)C(N)=O ZINC001369485767 887577365 /nfs/dbraw/zinc/57/73/65/887577365.db2.gz RUQXRRBHKIQNTK-IUCAKERBSA-N 0 3 299.335 -2.654 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001369477979 887577766 /nfs/dbraw/zinc/57/77/66/887577766.db2.gz WXBNAGHSQQLIKL-LLVKDONJSA-N 0 3 295.343 -1.413 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cncn1C ZINC001369477139 887577927 /nfs/dbraw/zinc/57/79/27/887577927.db2.gz DTUKTRBXIRFRGQ-LLVKDONJSA-N 0 3 297.359 -1.883 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001369484043 887578120 /nfs/dbraw/zinc/57/81/20/887578120.db2.gz OJYAEQXPLZARLL-NXEZZACHSA-N 0 3 297.359 -1.504 20 0 CAADHN Cc1nonc1CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001369483451 887578216 /nfs/dbraw/zinc/57/82/16/887578216.db2.gz OAGHHEIQMVVJBZ-BDAKNGLRSA-N 0 3 299.331 -1.797 20 0 CAADHN CCOc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)[nH]n1 ZINC001369486927 887578244 /nfs/dbraw/zinc/57/82/44/887578244.db2.gz WVSCTZDRBPWXAN-MRVPVSSYSA-N 0 3 299.331 -1.684 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001369474836 887578481 /nfs/dbraw/zinc/57/84/81/887578481.db2.gz NVPIGQRAQBTEAB-SECBINFHSA-N 0 3 298.347 -1.647 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)Cn1ccnc1)C(N)=O ZINC001369485590 887579063 /nfs/dbraw/zinc/57/90/63/887579063.db2.gz DOQUVSHXRVDBDD-WDEREUQCSA-N 0 3 297.359 -1.444 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001369516065 887580557 /nfs/dbraw/zinc/58/05/57/887580557.db2.gz ZLDVSDTVCREFMY-SNVBAGLBSA-N 0 3 298.343 -1.863 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001369526290 887581905 /nfs/dbraw/zinc/58/19/05/887581905.db2.gz YMGTYOODTMYWQR-GHMZBOCLSA-N 0 3 287.360 -1.602 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001369510208 887582231 /nfs/dbraw/zinc/58/22/31/887582231.db2.gz DULAXFUYXISRJC-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001369512606 887582599 /nfs/dbraw/zinc/58/25/99/887582599.db2.gz WTUZFAVHJOSDBR-IUCAKERBSA-N 0 3 275.305 -2.162 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)Cn1ncnn1)C(C)(C)C ZINC001369539156 887582615 /nfs/dbraw/zinc/58/26/15/887582615.db2.gz IJZMOBRLRJBQFY-SECBINFHSA-N 0 3 297.363 -1.460 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001369511723 887582966 /nfs/dbraw/zinc/58/29/66/887582966.db2.gz VGPNCUXKUBMADZ-VIFPVBQESA-N 0 3 271.321 -1.828 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001369512588 887584180 /nfs/dbraw/zinc/58/41/80/887584180.db2.gz WTUZFAVHJOSDBR-DTWKUNHWSA-N 0 3 275.305 -2.162 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@H](O)CN(C)CCO ZINC001369497350 887584265 /nfs/dbraw/zinc/58/42/65/887584265.db2.gz OLDOFIYSTWFKQC-SECBINFHSA-N 0 3 277.321 -1.914 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001369793627 887591564 /nfs/dbraw/zinc/59/15/64/887591564.db2.gz DAQWXBBIZVXWKA-SDDRHHMPSA-N 0 3 299.371 -1.147 20 0 CAADHN Cn1cnn(CCC(=O)N[C@@H]2CCN(CCO)C2)c1=O ZINC001370004766 887600197 /nfs/dbraw/zinc/60/01/97/887600197.db2.gz CVNMVAGXBUPUJA-SNVBAGLBSA-N 0 3 283.332 -1.845 20 0 CAADHN NS(=O)(=O)CCCC(=O)N[C@H]1CCN(CCO)C1 ZINC001370012688 887600235 /nfs/dbraw/zinc/60/02/35/887600235.db2.gz DVZMPRQRQVMBJE-VIFPVBQESA-N 0 3 279.362 -1.762 20 0 CAADHN CCN1CC[C@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001370031721 887600307 /nfs/dbraw/zinc/60/03/07/887600307.db2.gz JYUGKRBAYBKTAR-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN COCC(=O)NCCC(=O)N[C@H]1CCN(C[C@@H](C)O)C1 ZINC001369978045 887600479 /nfs/dbraw/zinc/60/04/79/887600479.db2.gz PUXOHYSNCSFUBJ-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001370047482 887600692 /nfs/dbraw/zinc/60/06/92/887600692.db2.gz UKAJWWWGDUTTFQ-QWRGUYRKSA-N 0 3 283.332 -1.524 20 0 CAADHN COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001369984471 887600915 /nfs/dbraw/zinc/60/09/15/887600915.db2.gz XGJPXZADWGJXCJ-NXEZZACHSA-N 0 3 296.327 -1.006 20 0 CAADHN COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001369984471 887600919 /nfs/dbraw/zinc/60/09/19/887600919.db2.gz XGJPXZADWGJXCJ-NXEZZACHSA-N 0 3 296.327 -1.006 20 0 CAADHN Cc1nnc(CC(=O)NC[C@@H](NCC(N)=O)C2CC2)o1 ZINC001370170804 887602320 /nfs/dbraw/zinc/60/23/20/887602320.db2.gz KCMCRQBHNGPBIK-SECBINFHSA-N 0 3 281.316 -1.110 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CN1CCOCC1)C1CC1 ZINC001370162117 887602361 /nfs/dbraw/zinc/60/23/61/887602361.db2.gz VPKLWCHYBMMOCR-LBPRGKRZSA-N 0 3 298.387 -1.451 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](N[C@@H](C)C(N)=O)C1CC1 ZINC001370180922 887602568 /nfs/dbraw/zinc/60/25/68/887602568.db2.gz USHZGOQODQTIAK-CBAPKCEASA-N 0 3 285.348 -1.726 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C1CC1 ZINC001370168888 887603020 /nfs/dbraw/zinc/60/30/20/887603020.db2.gz BDXCJINISUIYRS-WPRPVWTQSA-N 0 3 299.375 -1.336 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](N[C@H](C)C(=O)NC)C1CC1 ZINC001370176681 887603102 /nfs/dbraw/zinc/60/31/02/887603102.db2.gz LFDKIZWXYSKKPM-SCZZXKLOSA-N 0 3 299.375 -1.466 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001370271338 887603293 /nfs/dbraw/zinc/60/32/93/887603293.db2.gz HOHDGYKOCVLVHU-NWDGAFQWSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](N[C@H](C)C(N)=O)C1CC1 ZINC001370180921 887603338 /nfs/dbraw/zinc/60/33/38/887603338.db2.gz USHZGOQODQTIAK-APPZFPTMSA-N 0 3 285.348 -1.726 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CN1CCOCC1)C1CC1 ZINC001370162109 887603375 /nfs/dbraw/zinc/60/33/75/887603375.db2.gz VPKLWCHYBMMOCR-GFCCVEGCSA-N 0 3 298.387 -1.451 20 0 CAADHN C[C@H](N[C@H](CNC(=O)CCn1cnnn1)C1CC1)C(N)=O ZINC001370273554 887603491 /nfs/dbraw/zinc/60/34/91/887603491.db2.gz OHBUREFYUZBWTP-WCBMZHEXSA-N 0 3 295.347 -1.579 20 0 CAADHN CN(C)C(=O)C[NH2+][C@@H](CNC(=O)Cc1nnc[n-]1)C1CC1 ZINC001370258614 887603601 /nfs/dbraw/zinc/60/36/01/887603601.db2.gz TUWMXVMYRGLBPV-JTQLQIEISA-N 0 3 294.359 -1.080 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](N[C@@H](C)C(N)=O)C1CC1 ZINC001370149618 887603708 /nfs/dbraw/zinc/60/37/08/887603708.db2.gz NHILNWMDVZJWMT-WPRPVWTQSA-N 0 3 284.360 -1.129 20 0 CAADHN Cc1nnc(CC(=O)NC[C@H](NCC(N)=O)C2CC2)o1 ZINC001370170805 887603772 /nfs/dbraw/zinc/60/37/72/887603772.db2.gz KCMCRQBHNGPBIK-VIFPVBQESA-N 0 3 281.316 -1.110 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](NCC(N)=O)C1CC1)S(C)(=O)=O ZINC001370200423 887603883 /nfs/dbraw/zinc/60/38/83/887603883.db2.gz JBQXMFQYPSKNFG-IONNQARKSA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@H](N[C@H](CNC(=O)Cn1ncnn1)C1CC1)C(N)=O ZINC001370168658 887603894 /nfs/dbraw/zinc/60/38/94/887603894.db2.gz AHYISXPVWCEEIV-IONNQARKSA-N 0 3 281.320 -1.969 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](N[C@@H](C)C(=O)NC)C1CC1 ZINC001370176683 887603915 /nfs/dbraw/zinc/60/39/15/887603915.db2.gz LFDKIZWXYSKKPM-WCBMZHEXSA-N 0 3 299.375 -1.466 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)CCn1cnnn1)C1CC1)C(N)=O ZINC001370273559 887604016 /nfs/dbraw/zinc/60/40/16/887604016.db2.gz OHBUREFYUZBWTP-WPRPVWTQSA-N 0 3 295.347 -1.579 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](NCC(N)=O)C2CC2)n(C)c1=O ZINC001370269099 887604054 /nfs/dbraw/zinc/60/40/54/887604054.db2.gz AGMOJNZNFXGYHV-SECBINFHSA-N 0 3 295.343 -1.693 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001370359456 887604560 /nfs/dbraw/zinc/60/45/60/887604560.db2.gz NSHDWNUJBURNRH-BDAKNGLRSA-N 0 3 294.359 -1.059 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001370370937 887604722 /nfs/dbraw/zinc/60/47/22/887604722.db2.gz HNCMXBRNYYSPPF-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001370348297 887605081 /nfs/dbraw/zinc/60/50/81/887605081.db2.gz LVVJMASSVJKMAF-CBAPKCEASA-N 0 3 299.331 -2.104 20 0 CAADHN CC[C@@H](OC)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001370355791 887605124 /nfs/dbraw/zinc/60/51/24/887605124.db2.gz KSAHPDIADWIVQZ-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCCS(C)(=O)=O)C1 ZINC001370339612 887605183 /nfs/dbraw/zinc/60/51/83/887605183.db2.gz KJEDRFPDDLZDFZ-JTQLQIEISA-N 0 3 291.373 -1.642 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001370365766 887605316 /nfs/dbraw/zinc/60/53/16/887605316.db2.gz MPYHLUNJOJNXKZ-IUCAKERBSA-N 0 3 284.316 -1.579 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001370358463 887605393 /nfs/dbraw/zinc/60/53/93/887605393.db2.gz VSPDEEVSSVTYES-VIFPVBQESA-N 0 3 292.343 -1.049 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001370407656 887605456 /nfs/dbraw/zinc/60/54/56/887605456.db2.gz GFNDHPLXMOBTGZ-JTQLQIEISA-N 0 3 297.359 -1.532 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001370357592 887605640 /nfs/dbraw/zinc/60/56/40/887605640.db2.gz DKFFKWXTTFCVGH-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001370370997 887605761 /nfs/dbraw/zinc/60/57/61/887605761.db2.gz HTQJSPVPFXJFBJ-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001370338083 887605770 /nfs/dbraw/zinc/60/57/70/887605770.db2.gz FMLPGMSMEDIAKD-WDEREUQCSA-N 0 3 282.344 -1.456 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001370354608 887605820 /nfs/dbraw/zinc/60/58/20/887605820.db2.gz DLEOFXLANAPXIQ-VIFPVBQESA-N 0 3 294.315 -1.331 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001370396326 887605838 /nfs/dbraw/zinc/60/58/38/887605838.db2.gz VNHBCKKNNAHHQQ-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001370395460 887605894 /nfs/dbraw/zinc/60/58/94/887605894.db2.gz RRAIBDVAUJRJLV-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001370367035 887606054 /nfs/dbraw/zinc/60/60/54/887606054.db2.gz QYXYOMRFMYJABC-JTQLQIEISA-N 0 3 294.359 -1.018 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001370357662 887606155 /nfs/dbraw/zinc/60/61/55/887606155.db2.gz UPFIAAZJLWAKEQ-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001370355922 887606220 /nfs/dbraw/zinc/60/62/20/887606220.db2.gz LOPUSYWXZQIBAQ-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001370359377 887606383 /nfs/dbraw/zinc/60/63/83/887606383.db2.gz MADSEAUPTIWGKN-VIFPVBQESA-N 0 3 292.299 -1.524 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001370364041 887606630 /nfs/dbraw/zinc/60/66/30/887606630.db2.gz HPDKHGBBCCJFOJ-VHSXEESVSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CCCC(N)=O)C1)C(N)=O ZINC001370432541 887608521 /nfs/dbraw/zinc/60/85/21/887608521.db2.gz YOFPVRREXJPZJZ-BDAKNGLRSA-N 0 3 270.333 -1.294 20 0 CAADHN CS(=O)(=O)CCCC(=O)N[C@H]1C[C@H](NCC(N)=O)C1 ZINC001370545159 887612701 /nfs/dbraw/zinc/61/27/01/887612701.db2.gz WCZKCKNWZIJWMC-KYZUINATSA-N 0 3 291.373 -1.467 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](NC(=O)CCS(C)(=O)=O)C1 ZINC001370648902 887620090 /nfs/dbraw/zinc/62/00/90/887620090.db2.gz KBJSLYJLCPBCLR-DTORHVGOSA-N 0 3 291.373 -1.596 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](CO)NC(=O)c1cnon1 ZINC001370707435 887629552 /nfs/dbraw/zinc/62/95/52/887629552.db2.gz UZSUNIZRMTXLNA-SECBINFHSA-N 0 3 299.331 -1.382 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](CO)NC(=O)c1ccn[nH]1 ZINC001370757810 887632140 /nfs/dbraw/zinc/63/21/40/887632140.db2.gz JWPSKKNZABQHJO-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c1ncc[nH]1)N(C)C ZINC001370732170 887632800 /nfs/dbraw/zinc/63/28/00/887632800.db2.gz OBJRJDZCPVVONC-VHSXEESVSA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cnon1)N(C)C ZINC001370763938 887633785 /nfs/dbraw/zinc/63/37/85/887633785.db2.gz XZNSMVUGWZQSQQ-WCBMZHEXSA-N 0 3 299.331 -1.383 20 0 CAADHN COCC(=O)N[C@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001370802055 887638757 /nfs/dbraw/zinc/63/87/57/887638757.db2.gz GGVNZADKYBTHJS-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN CCC(=O)NCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001370913811 887639308 /nfs/dbraw/zinc/63/93/08/887639308.db2.gz CRPSPBQSVMPMBA-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001370905225 887639253 /nfs/dbraw/zinc/63/92/53/887639253.db2.gz DYXOKYKNLIMTGZ-IUCAKERBSA-N 0 3 284.316 -1.449 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1COC(=O)N1 ZINC001370905248 887639733 /nfs/dbraw/zinc/63/97/33/887639733.db2.gz DYXOKYKNLIMTGZ-RKDXNWHRSA-N 0 3 284.316 -1.449 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001370905171 887640024 /nfs/dbraw/zinc/64/00/24/887640024.db2.gz DYXOKYKNLIMTGZ-BDAKNGLRSA-N 0 3 284.316 -1.449 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)COC)N(C)C ZINC001370939813 887640035 /nfs/dbraw/zinc/64/00/35/887640035.db2.gz BKHVGKPNVQHDRW-GHMZBOCLSA-N 0 3 289.376 -1.092 20 0 CAADHN CC[C@H](C(=O)N(C)C[C@H](O)CNC(=O)COC)N(C)C ZINC001371006220 887644617 /nfs/dbraw/zinc/64/46/17/887644617.db2.gz XEDZPTFAFMKAHD-GHMZBOCLSA-N 0 3 289.376 -1.092 20 0 CAADHN C[C@H](CNC(=O)Cc1ccon1)NCC(=O)NC(N)=O ZINC001371155654 887647347 /nfs/dbraw/zinc/64/73/47/887647347.db2.gz XIBVNZFMUZOFLL-SSDOTTSWSA-N 0 3 283.288 -1.494 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001371140827 887647435 /nfs/dbraw/zinc/64/74/35/887647435.db2.gz OSDHTPJGYXRDOQ-IUCAKERBSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)N[C@H]1CCCNC1=O ZINC001371104437 887647654 /nfs/dbraw/zinc/64/76/54/887647654.db2.gz NAGQAOXGIOAZFV-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN COCCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC(N)=O ZINC001371088826 887647778 /nfs/dbraw/zinc/64/77/78/887647778.db2.gz PGCLYYSVNKWCGA-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)N[C@@H]1CCCNC1=O ZINC001371104434 887647876 /nfs/dbraw/zinc/64/78/76/887647876.db2.gz NAGQAOXGIOAZFV-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCN(C)C1=O ZINC001371099844 887647976 /nfs/dbraw/zinc/64/79/76/887647976.db2.gz BVBTXFXVHIKXGL-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN CC[C@@H](OC)C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001371132816 887648134 /nfs/dbraw/zinc/64/81/34/887648134.db2.gz LXEJULYHTHSUBZ-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN COCCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC(N)=O ZINC001371088818 887648166 /nfs/dbraw/zinc/64/81/66/887648166.db2.gz PGCLYYSVNKWCGA-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)NCCS(C)(=O)=O ZINC001371103454 887648207 /nfs/dbraw/zinc/64/82/07/887648207.db2.gz QBYXSFFIWYCAPT-DTWKUNHWSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@H]1CCN(C)C1=O ZINC001371099829 887648316 /nfs/dbraw/zinc/64/83/16/887648316.db2.gz BVBTXFXVHIKXGL-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN COC[C@H](C)C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001371138295 887648396 /nfs/dbraw/zinc/64/83/96/887648396.db2.gz ZWWINAZDGSYKRR-YUMQZZPRSA-N 0 3 274.321 -1.442 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CCOC1 ZINC001371129142 887648414 /nfs/dbraw/zinc/64/84/14/887648414.db2.gz BRFMVYKDLLSKDV-BDAKNGLRSA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)N(C)C ZINC001371157574 887648563 /nfs/dbraw/zinc/64/85/63/887648563.db2.gz IWDHXTDVRPUXPM-SFYZADRCSA-N 0 3 273.337 -1.774 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)NCC1CC1 ZINC001371159431 887648571 /nfs/dbraw/zinc/64/85/71/887648571.db2.gz LVMNKTLJWRMVPJ-BDAKNGLRSA-N 0 3 299.375 -1.336 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cc1ccon1)C(=O)NC(N)=O ZINC001371142639 887648941 /nfs/dbraw/zinc/64/89/41/887648941.db2.gz FBKLKEPWSSBCNV-JGVFFNPUSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N[C@H]1CCN(C)C1=O ZINC001371099838 887649072 /nfs/dbraw/zinc/64/90/72/887649072.db2.gz BVBTXFXVHIKXGL-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1=O)N[C@H]1CCCNC1=O ZINC001371104440 887649143 /nfs/dbraw/zinc/64/91/43/887649143.db2.gz NAGQAOXGIOAZFV-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC ZINC001371143638 887649607 /nfs/dbraw/zinc/64/96/07/887649607.db2.gz UGMAKGFONBCJAC-IUCAKERBSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@H](CNC(=O)CCn1ccnn1)NCC(=O)N(C)C ZINC001371156146 887649679 /nfs/dbraw/zinc/64/96/79/887649679.db2.gz BDENJLAXCCKQTK-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)N1CCCC1 ZINC001371141930 887649961 /nfs/dbraw/zinc/64/99/61/887649961.db2.gz RESURBIRDGTFDE-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001371234942 887650758 /nfs/dbraw/zinc/65/07/58/887650758.db2.gz IGEONEDQDIKVCA-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cnnn1C ZINC001371167132 887651045 /nfs/dbraw/zinc/65/10/45/887651045.db2.gz GHMNCXUVAYUNIQ-ZETCQYMHSA-N 0 3 297.319 -2.021 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)N(C)C ZINC001371173206 887651120 /nfs/dbraw/zinc/65/11/20/887651120.db2.gz XZWOUHUHEIUVCL-SFYZADRCSA-N 0 3 272.305 -1.723 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)NCC(=O)NCC1CC1 ZINC001371176766 887651178 /nfs/dbraw/zinc/65/11/78/887651178.db2.gz GSNWVMLWKAJZPD-VIFPVBQESA-N 0 3 295.347 -1.706 20 0 CAADHN C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)NCC(N)=O ZINC001371179904 887651242 /nfs/dbraw/zinc/65/12/42/887651242.db2.gz RYKIEVOKAKSMDZ-QMMMGPOBSA-N 0 3 280.332 -1.264 20 0 CAADHN C[C@@H](CNC(=O)c1cnnn1C)N[C@H]1CCCNC1=O ZINC001371165794 887651343 /nfs/dbraw/zinc/65/13/43/887651343.db2.gz BBEOLEARBKNOSK-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001371234932 887651394 /nfs/dbraw/zinc/65/13/94/887651394.db2.gz IGEONEDQDIKVCA-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)Cn1ncnn1 ZINC001371180238 887651442 /nfs/dbraw/zinc/65/14/42/887651442.db2.gz RPGMXRKQVGWDCI-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)NCc1cncn1C ZINC001371178570 887651661 /nfs/dbraw/zinc/65/16/61/887651661.db2.gz MSOCDUPTTNCUSC-SECBINFHSA-N 0 3 278.320 -1.299 20 0 CAADHN C[C@H](CNC(=O)c1cnc(N(C)C)cn1)NCC(N)=O ZINC001371179903 887651777 /nfs/dbraw/zinc/65/17/77/887651777.db2.gz RYKIEVOKAKSMDZ-MRVPVSSYSA-N 0 3 280.332 -1.264 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001371206154 887651796 /nfs/dbraw/zinc/65/17/96/887651796.db2.gz MJSGKUJRABAVAK-QMMMGPOBSA-N 0 3 273.337 -1.902 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCCNC1=O ZINC001371206013 887652019 /nfs/dbraw/zinc/65/20/19/887652019.db2.gz LFAOWFQAFAOOSU-IUCAKERBSA-N 0 3 285.348 -1.712 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)NCC(=O)N1CCC1 ZINC001371173630 887652500 /nfs/dbraw/zinc/65/25/00/887652500.db2.gz SMBUEBHITSOELW-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@@H](CNC(=O)c1cnnn1C)N[C@@H]1CCCNC1=O ZINC001371165792 887653125 /nfs/dbraw/zinc/65/31/25/887653125.db2.gz BBEOLEARBKNOSK-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)N(C)C ZINC001371173203 887653394 /nfs/dbraw/zinc/65/33/94/887653394.db2.gz XZWOUHUHEIUVCL-HTQZYQBOSA-N 0 3 272.305 -1.723 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001371258227 887654816 /nfs/dbraw/zinc/65/48/16/887654816.db2.gz GJBRAKIIGKAAQE-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](CNC(=O)c1ncccn1)NCC(=O)NC(N)=O ZINC001371384157 887655358 /nfs/dbraw/zinc/65/53/58/887655358.db2.gz CHLVRIBWWVPUST-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN C[C@@H](CNC(=O)c1cnn2cccnc12)NCC(N)=O ZINC001371323056 887655389 /nfs/dbraw/zinc/65/53/89/887655389.db2.gz QUHCPIVOUSZEPD-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@H](CNC(=O)c1ncccn1)NCC(=O)NC(N)=O ZINC001371384151 887655528 /nfs/dbraw/zinc/65/55/28/887655528.db2.gz CHLVRIBWWVPUST-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN C[C@H](CNC(=O)c1ccc2nnnn2c1)N[C@H](C)C(N)=O ZINC001371278993 887656127 /nfs/dbraw/zinc/65/61/27/887656127.db2.gz OMCHQOPHJFKWJV-HTQZYQBOSA-N 0 3 291.315 -1.294 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001371264011 887656228 /nfs/dbraw/zinc/65/62/28/887656228.db2.gz VGFJIPIHNNIIFJ-MRVPVSSYSA-N 0 3 284.320 -2.578 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@@H]1CCN(C)C1=O ZINC001371350850 887656460 /nfs/dbraw/zinc/65/64/60/887656460.db2.gz UHPWKMBAMJCZNJ-DTWKUNHWSA-N 0 3 293.327 -1.292 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@H]1CCN(C)C1=O ZINC001371350848 887656498 /nfs/dbraw/zinc/65/64/98/887656498.db2.gz UHPWKMBAMJCZNJ-BDAKNGLRSA-N 0 3 293.327 -1.292 20 0 CAADHN CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001371350778 887656531 /nfs/dbraw/zinc/65/65/31/887656531.db2.gz SEELCLRDYAPPGW-UWVGGRQHSA-N 0 3 299.375 -1.371 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001371264028 887656692 /nfs/dbraw/zinc/65/66/92/887656692.db2.gz VGFJIPIHNNIIFJ-QMMMGPOBSA-N 0 3 284.320 -2.578 20 0 CAADHN CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001371350780 887656858 /nfs/dbraw/zinc/65/68/58/887656858.db2.gz SEELCLRDYAPPGW-ZJUUUORDSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)N[C@@H](C)C(=O)N(C)C ZINC001371447358 887658369 /nfs/dbraw/zinc/65/83/69/887658369.db2.gz FEAWJVOQJBTBBL-ZJUUUORDSA-N 0 3 282.348 -1.151 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)[C@@H]2CCC(=O)N2)n[nH]1 ZINC001371427354 887658188 /nfs/dbraw/zinc/65/81/88/887658188.db2.gz MEWLJADHBIIILO-APPZFPTMSA-N 0 3 280.332 -1.014 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NC[C@@H](C)NCC(=O)NC ZINC001371444961 887658235 /nfs/dbraw/zinc/65/82/35/887658235.db2.gz WMHYTSBJVGWFQG-RKDXNWHRSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001371390035 887658315 /nfs/dbraw/zinc/65/83/15/887658315.db2.gz VZJQCUYZYWTSHK-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N[C@H]1CCNC1=O ZINC001371447396 887658329 /nfs/dbraw/zinc/65/83/29/887658329.db2.gz FINBAMGAYABMIB-IUCAKERBSA-N 0 3 293.327 -1.623 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)N[C@@H]1CCCN(C)C1=O ZINC001371446140 887658420 /nfs/dbraw/zinc/65/84/20/887658420.db2.gz CHRWGCZZGIYKSL-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)CCn1cnnn1 ZINC001371391166 887658448 /nfs/dbraw/zinc/65/84/48/887658448.db2.gz MVBSDSJRWIHOGJ-SNVBAGLBSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)N[C@@H]1CCCN(C)C1=O ZINC001371446137 887658480 /nfs/dbraw/zinc/65/84/80/887658480.db2.gz CHRWGCZZGIYKSL-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N[C@H]1CCNC1=O ZINC001371447393 887658493 /nfs/dbraw/zinc/65/84/93/887658493.db2.gz FINBAMGAYABMIB-BDAKNGLRSA-N 0 3 293.327 -1.623 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001371448635 887658510 /nfs/dbraw/zinc/65/85/10/887658510.db2.gz IULPHIUCYLYTBM-BDAKNGLRSA-N 0 3 295.343 -1.377 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001371390029 887658700 /nfs/dbraw/zinc/65/87/00/887658700.db2.gz VZJQCUYZYWTSHK-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)N[C@H](C)C(=O)N(C)C ZINC001371447355 887658831 /nfs/dbraw/zinc/65/88/31/887658831.db2.gz FEAWJVOQJBTBBL-NXEZZACHSA-N 0 3 282.348 -1.151 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N[C@@H]1CCNC1=O ZINC001371447398 887658841 /nfs/dbraw/zinc/65/88/41/887658841.db2.gz FINBAMGAYABMIB-RKDXNWHRSA-N 0 3 293.327 -1.623 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001371446199 887659113 /nfs/dbraw/zinc/65/91/13/887659113.db2.gz CPMAFZGOCWLULX-IUCAKERBSA-N 0 3 295.343 -1.248 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)N[C@H]1CCCN(C)C1=O ZINC001371446138 887659261 /nfs/dbraw/zinc/65/92/61/887659261.db2.gz CHRWGCZZGIYKSL-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN COC[C@@H](C)CC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001371404003 887659495 /nfs/dbraw/zinc/65/94/95/887659495.db2.gz MRJCKEVXHOQMQA-DTWKUNHWSA-N 0 3 288.348 -1.052 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001371414478 887659722 /nfs/dbraw/zinc/65/97/22/887659722.db2.gz BJKQKAORNIWMLX-ZJUUUORDSA-N 0 3 284.360 -1.116 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccc(C(N)=O)cn1 ZINC001371487743 887661716 /nfs/dbraw/zinc/66/17/16/887661716.db2.gz OWEPJFLOMVTYTO-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@@H](CNC(=O)CCCC(N)=O)NCC(=O)N(C)C ZINC001371480713 887662060 /nfs/dbraw/zinc/66/20/60/887662060.db2.gz CLEFLJPYRPFZMG-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001371473377 887662123 /nfs/dbraw/zinc/66/21/23/887662123.db2.gz JTVGMDZAAHMYSJ-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cccnc1C(N)=O ZINC001371463619 887662350 /nfs/dbraw/zinc/66/23/50/887662350.db2.gz GHXHRIIRSCTBSF-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001371495981 887662855 /nfs/dbraw/zinc/66/28/55/887662855.db2.gz BJXRCSCSWQCWII-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN Cc1nnc2n1C[C@H](C(=O)NC[C@H](C)NCC(N)=O)CC2 ZINC001371465380 887662989 /nfs/dbraw/zinc/66/29/89/887662989.db2.gz MUVKGCJANLZNHE-WCBMZHEXSA-N 0 3 294.359 -1.271 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001371496814 887663054 /nfs/dbraw/zinc/66/30/54/887663054.db2.gz KIRHQDCREKTZMM-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001371473695 887663215 /nfs/dbraw/zinc/66/32/15/887663215.db2.gz XJYYUBOOAQVIRF-ZETCQYMHSA-N 0 3 281.316 -1.433 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCN1CCCC1=O ZINC001371462282 887663387 /nfs/dbraw/zinc/66/33/87/887663387.db2.gz AFBDWQTUFJUJJH-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001371473380 887663509 /nfs/dbraw/zinc/66/35/09/887663509.db2.gz JTVGMDZAAHMYSJ-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cccnc1C(N)=O ZINC001371463616 887663750 /nfs/dbraw/zinc/66/37/50/887663750.db2.gz GHXHRIIRSCTBSF-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001371451825 887663811 /nfs/dbraw/zinc/66/38/11/887663811.db2.gz VGSWZGRJOMJFPG-VIFPVBQESA-N 0 3 295.343 -1.376 20 0 CAADHN C[C@H](CNC(=O)Cn1ccnc1)NCc1nc(=O)n(C)[nH]1 ZINC001371487667 887663837 /nfs/dbraw/zinc/66/38/37/887663837.db2.gz OJHOKHMVSPGURC-SECBINFHSA-N 0 3 293.331 -1.401 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001371510699 887665872 /nfs/dbraw/zinc/66/58/72/887665872.db2.gz NDLJNXIIFIHDGK-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001371511275 887665989 /nfs/dbraw/zinc/66/59/89/887665989.db2.gz ZFJBUVKNGOUHGD-VIFPVBQESA-N 0 3 293.327 -1.174 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC001371509832 887666064 /nfs/dbraw/zinc/66/60/64/887666064.db2.gz GRGDMBNOHBZAHM-SNVBAGLBSA-N 0 3 296.327 -1.282 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001371502647 887666079 /nfs/dbraw/zinc/66/60/79/887666079.db2.gz YNQDSNBENDOFOM-VIFPVBQESA-N 0 3 292.343 -1.001 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001371507996 887666136 /nfs/dbraw/zinc/66/61/36/887666136.db2.gz COSBORUXYATKRL-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001371510700 887666161 /nfs/dbraw/zinc/66/61/61/887666161.db2.gz NDLJNXIIFIHDGK-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001371500031 887666204 /nfs/dbraw/zinc/66/62/04/887666204.db2.gz JIHTYKLFUANBQH-IUCAKERBSA-N 0 3 292.343 -1.003 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001371510476 887666647 /nfs/dbraw/zinc/66/66/47/887666647.db2.gz OJMFIHICUWBDLO-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001371538052 887669324 /nfs/dbraw/zinc/66/93/24/887669324.db2.gz RKFGGBMLOUDTPK-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001371554770 887669476 /nfs/dbraw/zinc/66/94/76/887669476.db2.gz HVZRGIDISIBZJA-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)Cn1ncnn1 ZINC001371974547 887677032 /nfs/dbraw/zinc/67/70/32/887677032.db2.gz VZQXPWVMLCBKBS-VIFPVBQESA-N 0 3 272.309 -2.272 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1c[nH]c(=O)n1C ZINC001372060628 887681786 /nfs/dbraw/zinc/68/17/86/887681786.db2.gz SZPUSOPGNAVTKR-SECBINFHSA-N 0 3 286.332 -1.205 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001371999610 887682413 /nfs/dbraw/zinc/68/24/13/887682413.db2.gz MARFMRGXPHLZKX-JTQLQIEISA-N 0 3 298.343 -1.551 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CCn1ncn(C)c1=O ZINC001372052923 887682868 /nfs/dbraw/zinc/68/28/68/887682868.db2.gz MFLKXISTJMJPRE-SNVBAGLBSA-N 0 3 285.348 -1.599 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001371997755 887683021 /nfs/dbraw/zinc/68/30/21/887683021.db2.gz SBTBPDISBBNNEG-GHMZBOCLSA-N 0 3 287.360 -1.480 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001372109270 887684789 /nfs/dbraw/zinc/68/47/89/887684789.db2.gz CGAKUOOHVYPSBU-GWCFXTLKSA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001372069518 887684828 /nfs/dbraw/zinc/68/48/28/887684828.db2.gz ANJPCCPMTGDPRD-NNYUYHANSA-N 0 3 272.345 -1.066 20 0 CAADHN CCN(CCNC(=O)CNC(C)=O)CCn1cncn1 ZINC001372271211 887694394 /nfs/dbraw/zinc/69/43/94/887694394.db2.gz AAQAQZSGRILTPT-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001372564698 887700621 /nfs/dbraw/zinc/70/06/21/887700621.db2.gz IFEWMRYCANHADI-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN O=C(CN1CCCNC1=O)NC[C@H]1CCCN1CCO ZINC001372539981 887701183 /nfs/dbraw/zinc/70/11/83/887701183.db2.gz ZSUHDDVWYTUYMK-LLVKDONJSA-N 0 3 284.360 -1.025 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001372592945 887701345 /nfs/dbraw/zinc/70/13/45/887701345.db2.gz PABZZUZRMDZIDH-VHSXEESVSA-N 0 3 295.347 -1.625 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001372564702 887701880 /nfs/dbraw/zinc/70/18/80/887701880.db2.gz IFEWMRYCANHADI-RYUDHWBXSA-N 0 3 297.359 -1.134 20 0 CAADHN CCN(CC)CC(=O)N[C@H](C)CNC(=O)Cn1cnnn1 ZINC001372769743 887708993 /nfs/dbraw/zinc/70/89/93/887708993.db2.gz QTKRMIBIJGXIKS-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NCCN(CCO)C1CC1 ZINC001372857740 887712152 /nfs/dbraw/zinc/71/21/52/887712152.db2.gz JIDJJCLMSIIGLC-VIFPVBQESA-N 0 3 293.389 -1.503 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@H](C)OC ZINC001372919178 887714441 /nfs/dbraw/zinc/71/44/41/887714441.db2.gz DZJOVEHVXBOLFY-BDAKNGLRSA-N 0 3 288.348 -1.087 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1)C(=O)N(C)C ZINC001372928216 887714377 /nfs/dbraw/zinc/71/43/77/887714377.db2.gz XEQWJJKUNNMIMU-NXEZZACHSA-N 0 3 284.360 -1.210 20 0 CAADHN Cn1nc(C(=O)NCCN(CCO)C2CC2)ccc1=O ZINC001372899929 887714401 /nfs/dbraw/zinc/71/44/01/887714401.db2.gz QXKRHPQHMBJLNR-UHFFFAOYSA-N 0 3 280.328 -1.033 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)[C@@H](C)OC ZINC001372919181 887714428 /nfs/dbraw/zinc/71/44/28/887714428.db2.gz DZJOVEHVXBOLFY-DTWKUNHWSA-N 0 3 288.348 -1.087 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001372907140 887714529 /nfs/dbraw/zinc/71/45/29/887714529.db2.gz DEQZFQCLNFNXRK-SNVBAGLBSA-N 0 3 270.333 -1.599 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001372940590 887714544 /nfs/dbraw/zinc/71/45/44/887714544.db2.gz MWAKJVCKSJPDNN-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@]12C[C@H]1COC2)C(=O)NC(N)=O ZINC001372937870 887714581 /nfs/dbraw/zinc/71/45/81/887714581.db2.gz HPVIHLUKOFXJLO-ZDMBXUJBSA-N 0 3 298.343 -1.346 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001372939641 887714724 /nfs/dbraw/zinc/71/47/24/887714724.db2.gz NPSJZRUGYTXSFK-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)c1cnn(C)c1N ZINC001372936222 887714905 /nfs/dbraw/zinc/71/49/05/887714905.db2.gz DBEASQKTZLDPNN-SNVBAGLBSA-N 0 3 294.359 -1.105 20 0 CAADHN CCn1ncc(C(=O)N(C)CCN[C@H]2CCNC2=O)n1 ZINC001372938366 887714923 /nfs/dbraw/zinc/71/49/23/887714923.db2.gz HQUHDQGBQJIWRD-VIFPVBQESA-N 0 3 280.332 -1.152 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001372934779 887715255 /nfs/dbraw/zinc/71/52/55/887715255.db2.gz JBHIBEHFQAXKOJ-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001372921489 887715304 /nfs/dbraw/zinc/71/53/04/887715304.db2.gz PRYTYHLMCUBQIC-SNVBAGLBSA-N 0 3 270.333 -1.599 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cn(C)cn1)C(=O)NC(N)=O ZINC001372938517 887715512 /nfs/dbraw/zinc/71/55/12/887715512.db2.gz JDHRXOGNSAEZNF-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001372905312 887715597 /nfs/dbraw/zinc/71/55/97/887715597.db2.gz GZCKXUGFDGQPNV-UWVGGRQHSA-N 0 3 299.375 -1.371 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001372905317 887715644 /nfs/dbraw/zinc/71/56/44/887715644.db2.gz GZCKXUGFDGQPNV-ZJUUUORDSA-N 0 3 299.375 -1.371 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001372934785 887715802 /nfs/dbraw/zinc/71/58/02/887715802.db2.gz JBHIBEHFQAXKOJ-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001372939738 887715843 /nfs/dbraw/zinc/71/58/43/887715843.db2.gz OFGWYZHYFBTDHJ-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)Cn2ncnn2)C1=O ZINC001372936710 887715874 /nfs/dbraw/zinc/71/58/74/887715874.db2.gz FLEWHKMEJUGWMR-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001372942562 887715971 /nfs/dbraw/zinc/71/59/71/887715971.db2.gz FRSVGPJGZBLBRV-ZANVPECISA-N 0 3 284.360 -1.162 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001372905310 887716042 /nfs/dbraw/zinc/71/60/42/887716042.db2.gz GZCKXUGFDGQPNV-NXEZZACHSA-N 0 3 299.375 -1.371 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H](C)OC ZINC001372919736 887716742 /nfs/dbraw/zinc/71/67/42/887716742.db2.gz DZJOVEHVXBOLFY-RKDXNWHRSA-N 0 3 288.348 -1.087 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1)C(=O)N(C)C ZINC001372928218 887716804 /nfs/dbraw/zinc/71/68/04/887716804.db2.gz XEQWJJKUNNMIMU-VHSXEESVSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ncn(C)n1)C(=O)NC(N)=O ZINC001372935179 887716845 /nfs/dbraw/zinc/71/68/45/887716845.db2.gz AVTCCRQYKILCBD-SSDOTTSWSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cn(C)cn1)C(=O)NC(N)=O ZINC001372938516 887717351 /nfs/dbraw/zinc/71/73/51/887717351.db2.gz JDHRXOGNSAEZNF-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001372939739 887717392 /nfs/dbraw/zinc/71/73/92/887717392.db2.gz OFGWYZHYFBTDHJ-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ncn(C)n1)C(=O)NC(N)=O ZINC001372935180 887717471 /nfs/dbraw/zinc/71/74/71/887717471.db2.gz AVTCCRQYKILCBD-ZETCQYMHSA-N 0 3 297.319 -1.940 20 0 CAADHN CCn1ncc(C(=O)N(C)CCN[C@@H]2CCNC2=O)n1 ZINC001372938365 887717672 /nfs/dbraw/zinc/71/76/72/887717672.db2.gz HQUHDQGBQJIWRD-SECBINFHSA-N 0 3 280.332 -1.152 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H](C)CC(N)=O)C(N)=O ZINC001372956622 887718529 /nfs/dbraw/zinc/71/85/29/887718529.db2.gz YRILNZJMWNHUGG-BDAKNGLRSA-N 0 3 272.349 -1.190 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001372951454 887718747 /nfs/dbraw/zinc/71/87/47/887718747.db2.gz VLRZXGNJOSKOJG-OUAUKWLOSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cc(C(N)=O)c[nH]1)C(N)=O ZINC001372985358 887719034 /nfs/dbraw/zinc/71/90/34/887719034.db2.gz RCJGPOOUAIXTJP-SSDOTTSWSA-N 0 3 281.316 -1.351 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001372953079 887719291 /nfs/dbraw/zinc/71/92/91/887719291.db2.gz YDYBIWYPBMLNCS-UTLUCORTSA-N 0 3 282.344 -1.614 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H](C)CC(N)=O)C(N)=O ZINC001372956625 887719497 /nfs/dbraw/zinc/71/94/97/887719497.db2.gz YRILNZJMWNHUGG-IUCAKERBSA-N 0 3 272.349 -1.190 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001372951659 887719528 /nfs/dbraw/zinc/71/95/28/887719528.db2.gz OLYGFEXGZSLIIO-RKDXNWHRSA-N 0 3 270.333 -1.471 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CO[C@@H]1CCOC1 ZINC001372947561 887720243 /nfs/dbraw/zinc/72/02/43/887720243.db2.gz ZYBFIWOQHYVOPB-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001372949848 887720270 /nfs/dbraw/zinc/72/02/70/887720270.db2.gz RZCWQPMZRUMHOX-YGRLFVJLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cccn(C)c1=O)C(N)=O ZINC001372966811 887720711 /nfs/dbraw/zinc/72/07/11/887720711.db2.gz IIGJIHFMLONFDR-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CN1CCNC(=O)C1)C(N)=O ZINC001372946701 887720730 /nfs/dbraw/zinc/72/07/30/887720730.db2.gz GJXAMJJYMRDEDM-JTQLQIEISA-N 0 3 299.375 -2.270 20 0 CAADHN Cc1nnc(CC(=O)N(C)CCN[C@@H]2CCNC2=O)o1 ZINC001372947359 887720756 /nfs/dbraw/zinc/72/07/56/887720756.db2.gz XMABMEQRABKZMS-SECBINFHSA-N 0 3 281.316 -1.143 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)CCNC(N)=O)C1=O ZINC001372979564 887721074 /nfs/dbraw/zinc/72/10/74/887721074.db2.gz PMFPJXRVTYMYOW-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1cnc[n-]c1=O ZINC001372945898 887721287 /nfs/dbraw/zinc/72/12/87/887721287.db2.gz ZATRHNMZMVKKDP-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cc1ncc[nH]1)C(=O)NC(N)=O ZINC001372976375 887721554 /nfs/dbraw/zinc/72/15/54/887721554.db2.gz DCDUQJXRBOUGOI-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN CC[C@H](C(=O)N[C@@H](C)CNC(=O)c1nnn(C)n1)N(C)C ZINC001373027156 887722940 /nfs/dbraw/zinc/72/29/40/887722940.db2.gz IHRLNAREAUJUAQ-DTWKUNHWSA-N 0 3 297.363 -1.215 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2CCCO ZINC001373042119 887724222 /nfs/dbraw/zinc/72/42/22/887724222.db2.gz DZEUVJPSCMUJLY-PHIMTYICSA-N 0 3 284.360 -1.027 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](C)NC(=O)Cn1ncnn1)N(C)C ZINC001373111098 887726465 /nfs/dbraw/zinc/72/64/65/887726465.db2.gz WOMRNPKSZMPVHZ-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)CNC(C)=O)C1 ZINC001373139931 887727875 /nfs/dbraw/zinc/72/78/75/887727875.db2.gz QVSRZBPPISYHKU-NSHDSACASA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001373276552 887728837 /nfs/dbraw/zinc/72/88/37/887728837.db2.gz XUJABFJBMAXCBG-ZJUUUORDSA-N 0 3 295.347 -1.673 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2COCCO2)C1 ZINC001373143595 887729792 /nfs/dbraw/zinc/72/97/92/887729792.db2.gz DETLOMWWUCANQR-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](C)NC(=O)Cn1ncnn1)N(C)C ZINC001373111088 887730158 /nfs/dbraw/zinc/73/01/58/887730158.db2.gz WOMRNPKSZMPVHZ-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001373291461 887732346 /nfs/dbraw/zinc/73/23/46/887732346.db2.gz PWBMIXPDUVDMFB-ZJUUUORDSA-N 0 3 299.375 -1.431 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001373291457 887733157 /nfs/dbraw/zinc/73/31/57/887733157.db2.gz PWBMIXPDUVDMFB-UWVGGRQHSA-N 0 3 299.375 -1.431 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001373385408 887735604 /nfs/dbraw/zinc/73/56/04/887735604.db2.gz GHTGZVWSNDATDN-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001373368148 887735634 /nfs/dbraw/zinc/73/56/34/887735634.db2.gz MZBNKOQYNCCYSJ-DCAQKATOSA-N 0 3 296.371 -1.020 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001373404148 887735912 /nfs/dbraw/zinc/73/59/12/887735912.db2.gz GHTGZVWSNDATDN-NWDGAFQWSA-N 0 3 297.359 -1.134 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](NC(=O)CNC(C)=O)C1 ZINC001373386058 887736614 /nfs/dbraw/zinc/73/66/14/887736614.db2.gz GOMVPYFNTDPUDG-RYUDHWBXSA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001373392111 887736978 /nfs/dbraw/zinc/73/69/78/887736978.db2.gz SWHDWZPXETZBSV-WDEREUQCSA-N 0 3 298.347 -1.739 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](NC(=O)Cn2cncn2)C1 ZINC001373404150 887737344 /nfs/dbraw/zinc/73/73/44/887737344.db2.gz GHTGZVWSNDATDN-RYUDHWBXSA-N 0 3 297.359 -1.134 20 0 CAADHN CCCN(C)CC(=O)NC1CN(Cc2nnn(C)n2)C1 ZINC001373470322 887742908 /nfs/dbraw/zinc/74/29/08/887742908.db2.gz KQSIQWREVPVVGQ-UHFFFAOYSA-N 0 3 281.364 -1.148 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001373494219 887745113 /nfs/dbraw/zinc/74/51/13/887745113.db2.gz IKGMEWWSQMBNHJ-NWDGAFQWSA-N 0 3 288.344 -1.543 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001373512685 887745265 /nfs/dbraw/zinc/74/52/65/887745265.db2.gz DFVDTOSRVXCVRC-NSHDSACASA-N 0 3 296.327 -1.149 20 0 CAADHN C[C@@H](CC(=O)NCC1CN(CCCO)C1)NC(N)=O ZINC001373507203 887745344 /nfs/dbraw/zinc/74/53/44/887745344.db2.gz CWOZYZQAGNAVGY-VIFPVBQESA-N 0 3 272.349 -1.136 20 0 CAADHN CC[C@@H](C(=O)NCC1CN(CC(=O)NC(N)=O)C1)N(C)C ZINC001373550451 887749793 /nfs/dbraw/zinc/74/97/93/887749793.db2.gz PTMSNKZSZDPRER-JTQLQIEISA-N 0 3 299.375 -1.431 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001373589559 887749941 /nfs/dbraw/zinc/74/99/41/887749941.db2.gz FLGASWBUJKQNJY-GUBZILKMSA-N 0 3 287.316 -1.707 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CNC(=O)OC)C1 ZINC001373587797 887750040 /nfs/dbraw/zinc/75/00/40/887750040.db2.gz NTFMSZLJXXNIIC-UWVGGRQHSA-N 0 3 289.332 -1.460 20 0 CAADHN CC[C@H](C(=O)NCC1CN(CC(=O)NC(N)=O)C1)N(C)C ZINC001373550453 887750402 /nfs/dbraw/zinc/75/04/02/887750402.db2.gz PTMSNKZSZDPRER-SNVBAGLBSA-N 0 3 299.375 -1.431 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001373526491 887750797 /nfs/dbraw/zinc/75/07/97/887750797.db2.gz RLGKAUSNHRFRDO-JTQLQIEISA-N 0 3 297.359 -1.599 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001373589560 887751661 /nfs/dbraw/zinc/75/16/61/887751661.db2.gz FLGASWBUJKQNJY-IVZWLZJFSA-N 0 3 287.316 -1.707 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCC1CN(CCCO)C1 ZINC001373527762 887752255 /nfs/dbraw/zinc/75/22/55/887752255.db2.gz DZBPRFZOKUPYIJ-UHFFFAOYSA-N 0 3 284.360 -2.151 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001373625977 887754849 /nfs/dbraw/zinc/75/48/49/887754849.db2.gz OTIRRAHDORBICV-OLZOCXBDSA-N 0 3 299.371 -1.338 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001373610714 887755137 /nfs/dbraw/zinc/75/51/37/887755137.db2.gz WYWJNCSMXHTNAA-GRYCIOLGSA-N 0 3 299.371 -1.147 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001373610717 887756775 /nfs/dbraw/zinc/75/67/75/887756775.db2.gz WYWJNCSMXHTNAA-WOPDTQHZSA-N 0 3 299.371 -1.147 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCN(C[C@@H](O)COC)C1 ZINC001373594668 887757881 /nfs/dbraw/zinc/75/78/81/887757881.db2.gz CQPGNNLUNVGFFM-VHSXEESVSA-N 0 3 288.348 -1.887 20 0 CAADHN CC(=O)NCC(=O)N(C)CCNC(=O)Cc1nc[nH]c1C ZINC001373598240 887758071 /nfs/dbraw/zinc/75/80/71/887758071.db2.gz FXWLUDTUPVWABF-UHFFFAOYSA-N 0 3 295.343 -1.029 20 0 CAADHN CC[C@H](C(=O)N(C)CCNC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001373644455 887761342 /nfs/dbraw/zinc/76/13/42/887761342.db2.gz JOJJNOICTYCXOQ-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN CC[C@@H](C(=O)N(C)CCNC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001373644470 887761073 /nfs/dbraw/zinc/76/10/73/887761073.db2.gz JOJJNOICTYCXOQ-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001373663391 887762067 /nfs/dbraw/zinc/76/20/67/887762067.db2.gz HEIPLBBDQYDGAD-QWRGUYRKSA-N 0 3 298.347 -1.787 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001373656149 887762210 /nfs/dbraw/zinc/76/22/10/887762210.db2.gz HNXFMEBZIVXJMW-QWRGUYRKSA-N 0 3 298.347 -1.787 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001373656150 887762460 /nfs/dbraw/zinc/76/24/60/887762460.db2.gz HNXFMEBZIVXJMW-WDEREUQCSA-N 0 3 298.347 -1.787 20 0 CAADHN CC[C@H](C(=O)N(C)CCNC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001373644463 887762717 /nfs/dbraw/zinc/76/27/17/887762717.db2.gz JOJJNOICTYCXOQ-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@@H](CC(=O)N(C)[C@@H]1CCN(CCO)C1)NC(N)=O ZINC001373669288 887763364 /nfs/dbraw/zinc/76/33/64/887763364.db2.gz YVTKZQPUAPGFNM-VHSXEESVSA-N 0 3 272.349 -1.042 20 0 CAADHN CCCN(C)CC(=O)N(C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001373647764 887764115 /nfs/dbraw/zinc/76/41/15/887764115.db2.gz YNGGMOVKHKDSGH-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCCC1=O)N[C@H]1CCNC1=O ZINC001373728395 887765009 /nfs/dbraw/zinc/76/50/09/887765009.db2.gz LEJALXWLDGCYEC-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@H](CNC(=O)c1cnnn1C)N[C@H]1CCNC1=O ZINC001373748868 887765028 /nfs/dbraw/zinc/76/50/28/887765028.db2.gz HTLAJYVPNVFDAQ-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](CNC(=O)CN(C)C(C)=O)N[C@H](C)C(N)=O ZINC001373726131 887765293 /nfs/dbraw/zinc/76/52/93/887765293.db2.gz BZHLZXSKKASFJR-SCZZXKLOSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)NCC(N)=O ZINC001373758696 887765400 /nfs/dbraw/zinc/76/54/00/887765400.db2.gz CTKNHLAVSATFHQ-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](CNC(=O)c1cnnn1C)N[C@@H]1CCNC1=O ZINC001373748869 887765431 /nfs/dbraw/zinc/76/54/31/887765431.db2.gz HTLAJYVPNVFDAQ-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NCC(=O)NC(N)=O ZINC001373754898 887765809 /nfs/dbraw/zinc/76/58/09/887765809.db2.gz SUFQQDJBCQBOAF-RVBZMBCESA-N 0 3 298.343 -1.298 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1COCCO1)NCC(=O)N(C)C ZINC001373727653 887765834 /nfs/dbraw/zinc/76/58/34/887765834.db2.gz JXSBNLBRTZNEIL-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1COCCO1)NCC(=O)N(C)C ZINC001373727662 887765989 /nfs/dbraw/zinc/76/59/89/887765989.db2.gz JXSBNLBRTZNEIL-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)OC)N[C@@H](C)C(=O)NC ZINC001373740352 887766037 /nfs/dbraw/zinc/76/60/37/887766037.db2.gz ZACSBJKXMBCQBM-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@@H](CNC(=O)c1c[nH]c(=O)n1C)NCC(=O)NC ZINC001373777456 887766731 /nfs/dbraw/zinc/76/67/31/887766731.db2.gz ARAAVOAKZWGOCY-QMMMGPOBSA-N 0 3 283.332 -1.030 20 0 CAADHN CC[C@H](CNC(=O)COC)NCC(=O)NC(=O)NC ZINC001373716592 887766441 /nfs/dbraw/zinc/76/64/41/887766441.db2.gz ACWONASNRVTLOG-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN CC[C@H](CNC(=O)c1cnnn1C)N[C@@H]1CCNC1=O ZINC001373748871 887766479 /nfs/dbraw/zinc/76/64/79/887766479.db2.gz HTLAJYVPNVFDAQ-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)NCC(N)=O ZINC001373758698 887766495 /nfs/dbraw/zinc/76/64/95/887766495.db2.gz CTKNHLAVSATFHQ-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](CNC(=O)COC)NCC(=O)NC(=O)NC ZINC001373716593 887767300 /nfs/dbraw/zinc/76/73/00/887767300.db2.gz ACWONASNRVTLOG-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)C1CC1)NCC(=O)NC ZINC001373740445 887767585 /nfs/dbraw/zinc/76/75/85/887767585.db2.gz ZXAPBEFDHNGVRS-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)COC)NCC(=O)NC(N)=O ZINC001373739572 887767843 /nfs/dbraw/zinc/76/78/43/887767843.db2.gz QFWQNGIYZBSNQK-RKDXNWHRSA-N 0 3 288.348 -1.052 20 0 CAADHN CC[C@@H](CNC(=O)c1cnnn1C)N[C@H]1CCNC1=O ZINC001373748870 887768011 /nfs/dbraw/zinc/76/80/11/887768011.db2.gz HTLAJYVPNVFDAQ-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)c1C)NCC(=O)NC ZINC001373736193 887768195 /nfs/dbraw/zinc/76/81/95/887768195.db2.gz PXOWMNYORDIAJO-VIFPVBQESA-N 0 3 282.348 -1.032 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCN(C)C1=O ZINC001373728385 887768234 /nfs/dbraw/zinc/76/82/34/887768234.db2.gz LBQVJXCFDCCNNE-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN Cn1c(C(=O)N2CCC[C@@H]2CNCC(N)=O)c[nH]c1=O ZINC001373966192 887769348 /nfs/dbraw/zinc/76/93/48/887769348.db2.gz WBRGETWDRGXWLI-MRVPVSSYSA-N 0 3 281.316 -1.195 20 0 CAADHN C[C@@H](C(=O)N1CCC[C@@H]1CNCC(N)=O)n1cncn1 ZINC001373960450 887769892 /nfs/dbraw/zinc/76/98/92/887769892.db2.gz KUNXSDIAFFFXTP-VHSXEESVSA-N 0 3 280.332 -1.095 20 0 CAADHN COCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NC(N)=O ZINC001373950655 887769984 /nfs/dbraw/zinc/76/99/84/887769984.db2.gz KTPOVTXPVAMDLU-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CNC(C)=O ZINC001373948958 887770032 /nfs/dbraw/zinc/77/00/32/887770032.db2.gz AHLNNKXLYKSEIL-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001373964766 887770507 /nfs/dbraw/zinc/77/05/07/887770507.db2.gz GFOJMXDHECPYND-BBBLOLIVSA-N 0 3 282.344 -1.566 20 0 CAADHN CN1C[C@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)NC1=O ZINC001373966056 887771022 /nfs/dbraw/zinc/77/10/22/887771022.db2.gz SOYDQEUSJGVWKL-RKDXNWHRSA-N 0 3 283.332 -1.924 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001373960046 887771214 /nfs/dbraw/zinc/77/12/14/887771214.db2.gz XNWXXVNINIRBGB-HBNTYKKESA-N 0 3 296.371 -1.020 20 0 CAADHN COCC(=O)NC1(CNCC(=O)NC(N)=O)CCCC1 ZINC001373839326 887771379 /nfs/dbraw/zinc/77/13/79/887771379.db2.gz ZIQJURPKFOCNGL-UHFFFAOYSA-N 0 3 286.332 -1.154 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001373959714 887771500 /nfs/dbraw/zinc/77/15/00/887771500.db2.gz KXFHFUGHXSFCFB-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CC[C@H](CNC(=O)c1cnon1)NCC(=O)NC(=O)NC ZINC001373806430 887771554 /nfs/dbraw/zinc/77/15/54/887771554.db2.gz ADBALWGQABMFHN-SSDOTTSWSA-N 0 3 298.303 -1.377 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN[C@H](C)C(N)=O ZINC001373956095 887772143 /nfs/dbraw/zinc/77/21/43/887772143.db2.gz YUJVWJJROMLKNF-MWLCHTKSSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001373956092 887772334 /nfs/dbraw/zinc/77/23/34/887772334.db2.gz YUJVWJJROMLKNF-GXSJLCMTSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](CNC(=O)CS(=O)(=O)NC)N[C@H](C)C(N)=O ZINC001373824315 887772407 /nfs/dbraw/zinc/77/24/07/887772407.db2.gz FJPMOSBIEWRJMD-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1COCCO1 ZINC001374196429 887776196 /nfs/dbraw/zinc/77/61/96/887776196.db2.gz NAKXRVFNORYBJE-GHMZBOCLSA-N 0 3 287.360 -1.074 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1COCCO1 ZINC001374196431 887776921 /nfs/dbraw/zinc/77/69/21/887776921.db2.gz NAKXRVFNORYBJE-MNOVXSKESA-N 0 3 287.360 -1.074 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1COCCO1 ZINC001374196433 887777417 /nfs/dbraw/zinc/77/74/17/887777417.db2.gz NAKXRVFNORYBJE-WDEREUQCSA-N 0 3 287.360 -1.074 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1COCCO1 ZINC001374196432 887778432 /nfs/dbraw/zinc/77/84/32/887778432.db2.gz NAKXRVFNORYBJE-QWRGUYRKSA-N 0 3 287.360 -1.074 20 0 CAADHN CCOCC(=O)N(C)[C@H](C)CNCC(=O)NC(=O)NC ZINC001374191929 887778867 /nfs/dbraw/zinc/77/88/67/887778867.db2.gz ALSSLHPEHDGBPX-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN COCCC(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001374196288 887779230 /nfs/dbraw/zinc/77/92/30/887779230.db2.gz LVLYXMDZRJULDO-MRVPVSSYSA-N 0 3 274.321 -1.346 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@@H](C)CN[C@H]1CCNC1=O ZINC001374220450 887780204 /nfs/dbraw/zinc/78/02/04/887780204.db2.gz MIVDOOQLABXUHN-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1nccnc1N ZINC001374210391 887780267 /nfs/dbraw/zinc/78/02/67/887780267.db2.gz ZXKJWJIYSXMWPF-RKDXNWHRSA-N 0 3 292.343 -1.003 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cn(C)cn1 ZINC001374225172 887780392 /nfs/dbraw/zinc/78/03/92/887780392.db2.gz ZCXZEMGAOIAAAW-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCn1cnccc1=O ZINC001374302496 887781358 /nfs/dbraw/zinc/78/13/58/887781358.db2.gz LLCMEISXZFAQIX-SNVBAGLBSA-N 0 3 295.343 -1.445 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001374284662 887781412 /nfs/dbraw/zinc/78/14/12/887781412.db2.gz DKULIXFGBDURST-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001374284663 887781496 /nfs/dbraw/zinc/78/14/96/887781496.db2.gz DKULIXFGBDURST-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cn(C)ccc1=O ZINC001374257139 887781988 /nfs/dbraw/zinc/78/19/88/887781988.db2.gz OBOZSKMOLFNFOS-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CCNC(=O)NC ZINC001374222245 887782193 /nfs/dbraw/zinc/78/21/93/887782193.db2.gz QLDXYCFUEWEETK-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CN[C@@H](C)C(N)=O ZINC001374237277 887782341 /nfs/dbraw/zinc/78/23/41/887782341.db2.gz YSLAUMGWVXVGDY-SFYZADRCSA-N 0 3 273.337 -1.774 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCCS(C)(=O)=O ZINC001374294428 887782565 /nfs/dbraw/zinc/78/25/65/887782565.db2.gz NXRCRTPWFJLJCS-SECBINFHSA-N 0 3 293.389 -1.267 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CN1CCNC(=O)C1 ZINC001374269590 887782581 /nfs/dbraw/zinc/78/25/81/887782581.db2.gz QJWNTTFFJPQFAY-UWVGGRQHSA-N 0 3 299.375 -2.272 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CN[C@H](C)C(N)=O ZINC001374237196 887782602 /nfs/dbraw/zinc/78/26/02/887782602.db2.gz YSLAUMGWVXVGDY-HTQZYQBOSA-N 0 3 273.337 -1.774 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C)CC(N)=O ZINC001374266173 887782674 /nfs/dbraw/zinc/78/26/74/887782674.db2.gz DNXNLAFEZHVRQN-RKDXNWHRSA-N 0 3 272.349 -1.320 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H](C)CC(N)=O ZINC001374266163 887782692 /nfs/dbraw/zinc/78/26/92/887782692.db2.gz DNXNLAFEZHVRQN-BDAKNGLRSA-N 0 3 272.349 -1.320 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CN[C@H](C)C(N)=O ZINC001374237271 887782712 /nfs/dbraw/zinc/78/27/12/887782712.db2.gz YSLAUMGWVXVGDY-JGVFFNPUSA-N 0 3 273.337 -1.774 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(N)=O ZINC001374237283 887782805 /nfs/dbraw/zinc/78/28/05/887782805.db2.gz YSLAUMGWVXVGDY-YUMQZZPRSA-N 0 3 273.337 -1.774 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001374289731 887783505 /nfs/dbraw/zinc/78/35/05/887783505.db2.gz XKKQILBKCJUJBJ-JGVFFNPUSA-N 0 3 271.321 -2.150 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)c1nnn(C)n1 ZINC001374271083 887783537 /nfs/dbraw/zinc/78/35/37/887783537.db2.gz KKGZKYATONJRFI-VIFPVBQESA-N 0 3 295.347 -1.508 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)CCNC(N)=O ZINC001374319681 887784273 /nfs/dbraw/zinc/78/42/73/887784273.db2.gz GVMQPKVEJMADBE-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(C)[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H](C)C(N)=O ZINC001374441416 887784372 /nfs/dbraw/zinc/78/43/72/887784372.db2.gz FGQZDAUVSQUVAK-BDAKNGLRSA-N 0 3 282.348 -1.049 20 0 CAADHN C[C@@H]1CCCN(C(=O)CCNC(N)=O)[C@@H]1CNCC(N)=O ZINC001374392466 887784416 /nfs/dbraw/zinc/78/44/16/887784416.db2.gz BOWRFLVHYIJNPZ-NXEZZACHSA-N 0 3 299.375 -1.253 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CNCC(N)=O)CC(C)C ZINC001374346492 887785969 /nfs/dbraw/zinc/78/59/69/887785969.db2.gz KLFJJQLDHKYJMZ-SECBINFHSA-N 0 3 287.364 -1.479 20 0 CAADHN CC(C)[C@@H](CNC(=O)Cn1ncn(C)c1=O)NCC(N)=O ZINC001374463381 887786562 /nfs/dbraw/zinc/78/65/62/887786562.db2.gz VCWZVYWCMAAZPW-SECBINFHSA-N 0 3 298.347 -2.203 20 0 CAADHN CC(C)[C@H](CNC(=O)CCn1ccnn1)NCC(N)=O ZINC001374420823 887786760 /nfs/dbraw/zinc/78/67/60/887786760.db2.gz ULBHBRRWKHHFIS-JTQLQIEISA-N 0 3 282.348 -1.116 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1ncn(C)n1)C(C)C ZINC001374419056 887787555 /nfs/dbraw/zinc/78/75/55/887787555.db2.gz GKWTWMNQDVHEEB-VIFPVBQESA-N 0 3 282.348 -1.095 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CNCC(N)=O)CC(C)C ZINC001374346493 887787298 /nfs/dbraw/zinc/78/72/98/887787298.db2.gz KLFJJQLDHKYJMZ-VIFPVBQESA-N 0 3 287.364 -1.479 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CNC(C)=O)C(C)C ZINC001374406573 887787482 /nfs/dbraw/zinc/78/74/82/887787482.db2.gz MDDLOUTVMXMGEQ-JTQLQIEISA-N 0 3 272.349 -1.401 20 0 CAADHN CC(C)[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H](C)C(N)=O ZINC001374441422 887787525 /nfs/dbraw/zinc/78/75/25/887787525.db2.gz FGQZDAUVSQUVAK-RKDXNWHRSA-N 0 3 282.348 -1.049 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001374316027 887787941 /nfs/dbraw/zinc/78/79/41/887787941.db2.gz IOIAEKYQKRBOKI-MRVPVSSYSA-N 0 3 281.316 -1.684 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)Cn1cncn1 ZINC001374323527 887788164 /nfs/dbraw/zinc/78/81/64/887788164.db2.gz WJYWFHQMVCLQRD-JTQLQIEISA-N 0 3 294.359 -1.007 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)Cn1cnnn1)C(C)C ZINC001374413300 887788334 /nfs/dbraw/zinc/78/83/34/887788334.db2.gz YEYMBUCYSOLAFS-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001374315849 887788385 /nfs/dbraw/zinc/78/83/85/887788385.db2.gz XLZWOPXZHUNTIQ-UWVGGRQHSA-N 0 3 299.375 -1.159 20 0 CAADHN COCC(=O)NC[C@H](O)CNCC(=O)N(C)C(C)C ZINC001374565763 887789473 /nfs/dbraw/zinc/78/94/73/887789473.db2.gz CZZIJCFMGKTKCQ-SNVBAGLBSA-N 0 3 275.349 -1.434 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@@H]1CCN(C2CCC2)C1=O ZINC001374568541 887789535 /nfs/dbraw/zinc/78/95/35/887789535.db2.gz JQBXBMLWWZGBMM-NWDGAFQWSA-N 0 3 299.371 -1.147 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)c1ccccc1 ZINC001374571704 887789814 /nfs/dbraw/zinc/78/98/14/887789814.db2.gz IARVQZVEIPBBSC-JTQLQIEISA-N 0 3 294.311 -1.438 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C(C)(F)F ZINC001374568345 887791197 /nfs/dbraw/zinc/79/11/97/887791197.db2.gz WVLWPDDAPVTPJU-ZCFIWIBFSA-N 0 3 296.274 -1.836 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C(F)F ZINC001374567254 887792058 /nfs/dbraw/zinc/79/20/58/887792058.db2.gz QQPHPKFKKYJFIN-RXMQYKEDSA-N 0 3 282.247 -2.226 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C(C)(F)F ZINC001374568342 887792302 /nfs/dbraw/zinc/79/23/02/887792302.db2.gz WVLWPDDAPVTPJU-LURJTMIESA-N 0 3 296.274 -1.836 20 0 CAADHN CCC(=O)NC[C@H](O)CNCc1cc(=O)n(C)c(=O)n1C ZINC001374571500 887792728 /nfs/dbraw/zinc/79/27/28/887792728.db2.gz RFIGSIGPZVDNLO-SNVBAGLBSA-N 0 3 298.343 -1.939 20 0 CAADHN COCCC(=O)NC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001374563577 887793539 /nfs/dbraw/zinc/79/35/39/887793539.db2.gz AJPYGACEXJFRGD-VIFPVBQESA-N 0 3 271.321 -1.284 20 0 CAADHN Cc1noc(C)c1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001374579496 887794564 /nfs/dbraw/zinc/79/45/64/887794564.db2.gz BROYNVUOSFRUQS-IONNQARKSA-N 0 3 284.316 -1.154 20 0 CAADHN Cc1noc(C)c1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001374579497 887794666 /nfs/dbraw/zinc/79/46/66/887794666.db2.gz BROYNVUOSFRUQS-VXNVDRBHSA-N 0 3 284.316 -1.154 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)C1=COCCO1 ZINC001374576061 887795035 /nfs/dbraw/zinc/79/50/35/887795035.db2.gz HGZVMQXBSRLWRX-IUCAKERBSA-N 0 3 285.300 -2.170 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)C1CCOCC1 ZINC001374572991 887795061 /nfs/dbraw/zinc/79/50/61/887795061.db2.gz OFEBRIKHTUDZLJ-MNOVXSKESA-N 0 3 285.344 -1.632 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001374574896 887795890 /nfs/dbraw/zinc/79/58/90/887795890.db2.gz VXFORHLSSMBTSI-SECBINFHSA-N 0 3 274.321 -2.723 20 0 CAADHN CCCC(=O)NC[C@H](O)CNCC(=O)NC(=O)NC ZINC001374573613 887796195 /nfs/dbraw/zinc/79/61/95/887796195.db2.gz PUCGWZLWSKMXPP-MRVPVSSYSA-N 0 3 274.321 -1.691 20 0 CAADHN Cc1noc(C)c1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001374579493 887796373 /nfs/dbraw/zinc/79/63/73/887796373.db2.gz BROYNVUOSFRUQS-APPZFPTMSA-N 0 3 284.316 -1.154 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cncnc1C ZINC001374581666 887796560 /nfs/dbraw/zinc/79/65/60/887796560.db2.gz DZYMLAVUZODGQS-SNVBAGLBSA-N 0 3 295.343 -1.399 20 0 CAADHN CC(C)CC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001374574054 887797340 /nfs/dbraw/zinc/79/73/40/887797340.db2.gz AVTNLDUMVADUAB-IUCAKERBSA-N 0 3 288.348 -1.317 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001374583423 887798515 /nfs/dbraw/zinc/79/85/15/887798515.db2.gz KSUCTRIBJCMOPE-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN CC(C)OCC(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001374583967 887798660 /nfs/dbraw/zinc/79/86/60/887798660.db2.gz MRWPABLZRFSCJR-MNOVXSKESA-N 0 3 287.360 -1.291 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)CN(C)C(C)=O)C(N)=O ZINC001374586988 887799367 /nfs/dbraw/zinc/79/93/67/887799367.db2.gz NNSBKCMZBGTLGN-ZJUUUORDSA-N 0 3 288.348 -2.205 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001374583421 887799636 /nfs/dbraw/zinc/79/96/36/887799636.db2.gz KSUCTRIBJCMOPE-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2ccn[nH]2)C1=O ZINC001374585604 887799865 /nfs/dbraw/zinc/79/98/65/887799865.db2.gz KGMCXOSXIWUROI-WPRPVWTQSA-N 0 3 281.316 -1.679 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)CSC ZINC001374587038 887799906 /nfs/dbraw/zinc/79/99/06/887799906.db2.gz AWXBCLCEXRVHPY-IUCAKERBSA-N 0 3 277.390 -1.202 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)CN(C)C(C)=O)C(N)=O ZINC001374586982 887800205 /nfs/dbraw/zinc/80/02/05/887800205.db2.gz NNSBKCMZBGTLGN-NXEZZACHSA-N 0 3 288.348 -2.205 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001374583427 887800244 /nfs/dbraw/zinc/80/02/44/887800244.db2.gz KSUCTRIBJCMOPE-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN CC(C)OCC(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001374583966 887800305 /nfs/dbraw/zinc/80/03/05/887800305.db2.gz MRWPABLZRFSCJR-GHMZBOCLSA-N 0 3 287.360 -1.291 20 0 CAADHN Cc1cnn(CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c1 ZINC001374584058 887800415 /nfs/dbraw/zinc/80/04/15/887800415.db2.gz NIHXNZYCGHCQAI-ZJUUUORDSA-N 0 3 283.332 -1.868 20 0 CAADHN Cc1cnn(CC(=O)NC[C@H](O)CN[C@H]2CCNC2=O)c1 ZINC001374584769 887800657 /nfs/dbraw/zinc/80/06/57/887800657.db2.gz PHWKGWXYLGUQBC-MNOVXSKESA-N 0 3 295.343 -1.853 20 0 CAADHN Cc1ncncc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001374583460 887800746 /nfs/dbraw/zinc/80/07/46/887800746.db2.gz KXYBOHLYDREFLM-ONGXEEELSA-N 0 3 293.327 -1.646 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n(C)n1 ZINC001374586368 887801113 /nfs/dbraw/zinc/80/11/13/887801113.db2.gz YDUNKJVUPWHMKR-ZJUUUORDSA-N 0 3 295.343 -1.703 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1cn[nH]c1 ZINC001374586064 887801201 /nfs/dbraw/zinc/80/12/01/887801201.db2.gz LDQJKNILNZUHRC-ZJUUUORDSA-N 0 3 281.316 -1.631 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](O)CNCc1ccccn1 ZINC001374582812 887801755 /nfs/dbraw/zinc/80/17/55/887801755.db2.gz QCQFHIWQVTUISE-LLVKDONJSA-N 0 3 291.315 -1.665 20 0 CAADHN Cc1cnn(CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001374584041 887801862 /nfs/dbraw/zinc/80/18/62/887801862.db2.gz NIHXNZYCGHCQAI-UWVGGRQHSA-N 0 3 283.332 -1.868 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cn1cnnn1)C(=O)N(C)C ZINC001374585193 887802003 /nfs/dbraw/zinc/80/20/03/887802003.db2.gz YCPRLIYAUSCBPO-RKDXNWHRSA-N 0 3 299.335 -2.784 20 0 CAADHN Cc1ncncc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001374583455 887802054 /nfs/dbraw/zinc/80/20/54/887802054.db2.gz KXYBOHLYDREFLM-KOLCDFICSA-N 0 3 293.327 -1.646 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1nnn(C)c1C ZINC001374589265 887803068 /nfs/dbraw/zinc/80/30/68/887803068.db2.gz PNCPDEXCKXHSSF-VXNVDRBHSA-N 0 3 298.347 -2.062 20 0 CAADHN O=C(Cc1cc[nH]n1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001374589945 887803178 /nfs/dbraw/zinc/80/31/78/887803178.db2.gz SDBRZFKVQMERRM-GHMZBOCLSA-N 0 3 295.343 -1.703 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCC(F)(F)F ZINC001374589932 887803214 /nfs/dbraw/zinc/80/32/14/887803214.db2.gz SCKRNTBJMPVENO-LURJTMIESA-N 0 3 271.239 -1.119 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)[C@@H]2CCCN2C)nn1 ZINC001374592340 887803452 /nfs/dbraw/zinc/80/34/52/887803452.db2.gz UOUQXSMJEKPQKZ-RYUDHWBXSA-N 0 3 296.375 -1.524 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1nnn(C)c1C ZINC001374589255 887803700 /nfs/dbraw/zinc/80/37/00/887803700.db2.gz PNCPDEXCKXHSSF-CBAPKCEASA-N 0 3 298.347 -2.062 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)ncn1 ZINC001374591585 887804338 /nfs/dbraw/zinc/80/43/38/887804338.db2.gz FSUGQABVHXBDNY-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN Cn1cnnc1CNC[C@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001374592140 887804535 /nfs/dbraw/zinc/80/45/35/887804535.db2.gz UBYCTEKONIKRIW-QWRGUYRKSA-N 0 3 296.375 -1.524 20 0 CAADHN C[C@@](O)(CC(=O)NC[C@@H](O)CNCC(N)=O)C1CC1 ZINC001374594207 887804577 /nfs/dbraw/zinc/80/45/77/887804577.db2.gz KMOKOHXRPKNXTB-JOYOIKCWSA-N 0 3 273.333 -1.911 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1cnn(C)c1)C(N)=O ZINC001374590446 887804610 /nfs/dbraw/zinc/80/46/10/887804610.db2.gz MCJHEISVAHFUNE-WDEREUQCSA-N 0 3 297.359 -1.707 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)C1=CCOCC1)C(N)=O ZINC001374592484 887804627 /nfs/dbraw/zinc/80/46/27/887804627.db2.gz DMWKCJOIGILRFA-MNOVXSKESA-N 0 3 285.344 -1.336 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccn(C)c1 ZINC001374593333 887804702 /nfs/dbraw/zinc/80/47/02/887804702.db2.gz MPPMUOAJKBYLMS-ONGXEEELSA-N 0 3 282.344 -1.160 20 0 CAADHN CC(=O)N(C)CC(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001374590633 887804754 /nfs/dbraw/zinc/80/47/54/887804754.db2.gz VUCKPBADXOSVHE-GFCCVEGCSA-N 0 3 296.371 -1.114 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)C2=CCOCC2)C1=O ZINC001374594040 887804795 /nfs/dbraw/zinc/80/47/95/887804795.db2.gz JDKLMGYIRYHMLA-NWDGAFQWSA-N 0 3 297.355 -1.370 20 0 CAADHN CC[C@H](OC)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001374593036 887804810 /nfs/dbraw/zinc/80/48/10/887804810.db2.gz WQEZKBYUIBHWGY-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)C1=COCCC1 ZINC001374593032 887804870 /nfs/dbraw/zinc/80/48/70/887804870.db2.gz WPZRJIDBZDXGDW-NSHDSACASA-N 0 3 285.344 -1.117 20 0 CAADHN CO[C@@H](C)CC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001374593649 887805303 /nfs/dbraw/zinc/80/53/03/887805303.db2.gz YTFXDQPIYQWJRL-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCOC1 ZINC001374588776 887805962 /nfs/dbraw/zinc/80/59/62/887805962.db2.gz OEPFKLOADDTHPZ-MNOVXSKESA-N 0 3 287.360 -1.384 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001374588810 887806009 /nfs/dbraw/zinc/80/60/09/887806009.db2.gz GCVIKRPIDAHSPQ-GHMZBOCLSA-N 0 3 295.343 -1.735 20 0 CAADHN Cn1cnnc1CNC[C@H](O)CNC(=O)[C@H]1CCCN1C ZINC001374592146 887806067 /nfs/dbraw/zinc/80/60/67/887806067.db2.gz UBYCTEKONIKRIW-WDEREUQCSA-N 0 3 296.375 -1.524 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1nnc(C)o1 ZINC001374598687 887807683 /nfs/dbraw/zinc/80/76/83/887807683.db2.gz AAYMWZACPKAOBM-APPZFPTMSA-N 0 3 299.331 -1.878 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1csnc1C ZINC001374597358 887807772 /nfs/dbraw/zinc/80/77/72/887807772.db2.gz XGVIUBIAXLDNNG-QMMMGPOBSA-N 0 3 286.357 -1.122 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001374596133 887807794 /nfs/dbraw/zinc/80/77/94/887807794.db2.gz YJOADVMHNMXPJT-HTQZYQBOSA-N 0 3 273.289 -2.508 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CC1(F)F)N1CCC1 ZINC001374599410 887807976 /nfs/dbraw/zinc/80/79/76/887807976.db2.gz INCIWDPWGMJJPJ-DTWKUNHWSA-N 0 3 291.298 -1.059 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001374601573 887808109 /nfs/dbraw/zinc/80/81/09/887808109.db2.gz KEFPMWNRTWENJG-YUMQZZPRSA-N 0 3 284.320 -2.241 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)CC(C)(C)O ZINC001374598936 887808162 /nfs/dbraw/zinc/80/81/62/887808162.db2.gz LFKLFJLRTIZWDV-JTQLQIEISA-N 0 3 289.376 -1.308 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(C)ncn1 ZINC001374595277 887808205 /nfs/dbraw/zinc/80/82/05/887808205.db2.gz VHFHUOWIUSKSEB-VIFPVBQESA-N 0 3 281.316 -1.789 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001374601566 887808238 /nfs/dbraw/zinc/80/82/38/887808238.db2.gz KEFPMWNRTWENJG-JGVFFNPUSA-N 0 3 284.320 -2.241 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cncnc1)C(N)=O ZINC001374595332 887808493 /nfs/dbraw/zinc/80/84/93/887808493.db2.gz NYHLYEFZRMPWGI-VHSXEESVSA-N 0 3 281.316 -1.579 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CNCC(=O)NC)n1 ZINC001374601772 887808586 /nfs/dbraw/zinc/80/85/86/887808586.db2.gz KSHKXJWFIINSSU-MRVPVSSYSA-N 0 3 284.320 -2.276 20 0 CAADHN O=C(Cc1ccoc1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001374596865 887809303 /nfs/dbraw/zinc/80/93/03/887809303.db2.gz VKOLRQLXNYSAEC-GHMZBOCLSA-N 0 3 281.312 -1.223 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1CCC(O)CC1 ZINC001374602301 887809394 /nfs/dbraw/zinc/80/93/94/887809394.db2.gz TXPHRYDPFPWKIK-ILDUYXDCSA-N 0 3 287.360 -1.650 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1nnc(C)o1 ZINC001374598701 887809546 /nfs/dbraw/zinc/80/95/46/887809546.db2.gz AAYMWZACPKAOBM-VXNVDRBHSA-N 0 3 299.331 -1.878 20 0 CAADHN C[C@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C)n1cncn1 ZINC001374596935 887809649 /nfs/dbraw/zinc/80/96/49/887809649.db2.gz VUPHBTAOKWNHOK-ZJUUUORDSA-N 0 3 298.347 -2.006 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1csnc1C ZINC001374597356 887810187 /nfs/dbraw/zinc/81/01/87/887810187.db2.gz XGVIUBIAXLDNNG-MRVPVSSYSA-N 0 3 286.357 -1.122 20 0 CAADHN C[C@](O)(CC(=O)NC[C@H](O)CNCC(N)=O)C1CC1 ZINC001374594209 887810303 /nfs/dbraw/zinc/81/03/03/887810303.db2.gz KMOKOHXRPKNXTB-SKDRFNHKSA-N 0 3 273.333 -1.911 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ocnc1C)C(N)=O ZINC001374594583 887810369 /nfs/dbraw/zinc/81/03/69/887810369.db2.gz JPQDNEVBEHKTCO-IUCAKERBSA-N 0 3 284.316 -1.073 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001374604975 887812116 /nfs/dbraw/zinc/81/21/16/887812116.db2.gz MNINRPKQHNHYQH-WDMOLILDSA-N 0 3 299.371 -1.386 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)ncn1 ZINC001374604221 887812173 /nfs/dbraw/zinc/81/21/73/887812173.db2.gz KHNGOFVKFUGZMV-YUMQZZPRSA-N 0 3 297.315 -1.961 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1cncs1)C(N)=O ZINC001374613778 887812380 /nfs/dbraw/zinc/81/23/80/887812380.db2.gz CTZYMINIOCYYLO-HTQZYQBOSA-N 0 3 286.357 -1.374 20 0 CAADHN CCC(=O)NCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001374612405 887812410 /nfs/dbraw/zinc/81/24/10/887812410.db2.gz YMJXOJVIDKJBMA-UHFFFAOYSA-N 0 3 296.371 -1.065 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001374604351 887812640 /nfs/dbraw/zinc/81/26/40/887812640.db2.gz QRIHGEHKNZYBJB-VIFPVBQESA-N 0 3 298.347 -2.026 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)ncn1 ZINC001374604218 887812658 /nfs/dbraw/zinc/81/26/58/887812658.db2.gz KHNGOFVKFUGZMV-HTQZYQBOSA-N 0 3 297.315 -1.961 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001374604135 887812907 /nfs/dbraw/zinc/81/29/07/887812907.db2.gz XBYYREADXXHDJC-UWVGGRQHSA-N 0 3 297.359 -1.125 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1ccncn1 ZINC001374613225 887813268 /nfs/dbraw/zinc/81/32/68/887813268.db2.gz SSYBVVFTIZAFKE-SNVBAGLBSA-N 0 3 281.316 -2.039 20 0 CAADHN O=C(NC[C@@H](O)C[NH2+]C[C@H]1CCOC1)c1cnc[n-]c1=O ZINC001374612748 887813939 /nfs/dbraw/zinc/81/39/39/887813939.db2.gz ASPBUGDWUBJJEL-ZJUUUORDSA-N 0 3 296.327 -1.101 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1ccncn1 ZINC001374613224 887814095 /nfs/dbraw/zinc/81/40/95/887814095.db2.gz SSYBVVFTIZAFKE-JTQLQIEISA-N 0 3 281.316 -2.039 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1n[nH]cc1C ZINC001374602768 887814128 /nfs/dbraw/zinc/81/41/28/887814128.db2.gz SWOHPOYADOYTQL-SNVBAGLBSA-N 0 3 297.359 -1.075 20 0 CAADHN CCc1c[nH]c(CC(=O)NC[C@@H](O)CNCC(=O)NC)n1 ZINC001374614535 887814224 /nfs/dbraw/zinc/81/42/24/887814224.db2.gz GIGSHTLLPBHEKI-JTQLQIEISA-N 0 3 297.359 -1.673 20 0 CAADHN O=C(NC[C@H](O)C[NH2+]C[C@@H]1CCOC1)c1cnc[n-]c1=O ZINC001374612745 887814356 /nfs/dbraw/zinc/81/43/56/887814356.db2.gz ASPBUGDWUBJJEL-VHSXEESVSA-N 0 3 296.327 -1.101 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnn2c1CCC2)C(N)=O ZINC001374613499 887814399 /nfs/dbraw/zinc/81/43/99/887814399.db2.gz UHMVRJMTDUSEEU-DTWKUNHWSA-N 0 3 295.343 -1.617 20 0 CAADHN CCCn1nccc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001374607815 887814431 /nfs/dbraw/zinc/81/44/31/887814431.db2.gz HXOJWWJPDFGBOJ-VIFPVBQESA-N 0 3 283.332 -1.541 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001374623138 887815281 /nfs/dbraw/zinc/81/52/81/887815281.db2.gz JBOHJSIRFXPSCT-LDYMZIIASA-N 0 3 295.343 -1.459 20 0 CAADHN CCc1nn(C)cc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001374615224 887815352 /nfs/dbraw/zinc/81/53/52/887815352.db2.gz IXDFZKHYDPFVHW-RKDXNWHRSA-N 0 3 297.359 -1.463 20 0 CAADHN CN(C)Cc1cc(C(=O)NC[C@H](O)CNCC(N)=O)no1 ZINC001374623052 887815575 /nfs/dbraw/zinc/81/55/75/887815575.db2.gz IFUWIBTXRGASBJ-MRVPVSSYSA-N 0 3 299.331 -2.098 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001374617114 887815630 /nfs/dbraw/zinc/81/56/30/887815630.db2.gz TVTHNXPOFUFISM-SECBINFHSA-N 0 3 297.315 -2.001 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001374625506 887816067 /nfs/dbraw/zinc/81/60/67/887816067.db2.gz RMQRCWABWWSPFJ-JGVFFNPUSA-N 0 3 283.332 -1.474 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc2n(n1)CCCO2 ZINC001374622959 887816566 /nfs/dbraw/zinc/81/65/66/887816566.db2.gz AXBHRYVTSRQDQY-QMMMGPOBSA-N 0 3 297.315 -2.169 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C(C)(C)COC ZINC001374623884 887816744 /nfs/dbraw/zinc/81/67/44/887816744.db2.gz FHXOUNSQYIBWMA-UWVGGRQHSA-N 0 3 289.376 -1.140 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001374617116 887816949 /nfs/dbraw/zinc/81/69/49/887816949.db2.gz TVTHNXPOFUFISM-VIFPVBQESA-N 0 3 297.315 -2.001 20 0 CAADHN Cc1ccncc1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001374616961 887816999 /nfs/dbraw/zinc/81/69/99/887816999.db2.gz SENOZJJHOZVBPM-LLVKDONJSA-N 0 3 280.328 -1.515 20 0 CAADHN Cc1ccncc1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001374616963 887817016 /nfs/dbraw/zinc/81/70/16/887817016.db2.gz SENOZJJHOZVBPM-NSHDSACASA-N 0 3 280.328 -1.515 20 0 CAADHN Cn1cncc1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001374627678 887817088 /nfs/dbraw/zinc/81/70/88/887817088.db2.gz KIHYZCXBOLKTHX-JTQLQIEISA-N 0 3 295.343 -1.667 20 0 CAADHN COC1CC(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)C1 ZINC001374615904 887817307 /nfs/dbraw/zinc/81/73/07/887817307.db2.gz QAQYKIADOWIRST-CKBZRRDASA-N 0 3 299.371 -1.243 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1occ2c1CCC2 ZINC001374630478 887817720 /nfs/dbraw/zinc/81/77/20/887817720.db2.gz CRRPPALJBCOYMT-SECBINFHSA-N 0 3 281.312 -1.066 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001374624079 887817751 /nfs/dbraw/zinc/81/77/51/887817751.db2.gz LRTOGMZIKOUCJV-SNVBAGLBSA-N 0 3 296.327 -2.188 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001374634168 887818927 /nfs/dbraw/zinc/81/89/27/887818927.db2.gz BAVCYICJYKDEGO-SVDPJWKOSA-N 0 3 285.344 -1.918 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)n1 ZINC001374636001 887818976 /nfs/dbraw/zinc/81/89/76/887818976.db2.gz XPKHBHSQYGHVGQ-QMMMGPOBSA-N 0 3 297.319 -2.877 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1(c2cccnc2)CC1 ZINC001374639905 887819419 /nfs/dbraw/zinc/81/94/19/887819419.db2.gz VKTALSFKBVAHKK-LLVKDONJSA-N 0 3 292.339 -1.335 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NC[C@H](O)CNCC(=O)N1CCOCC1 ZINC001374636274 887820372 /nfs/dbraw/zinc/82/03/72/887820372.db2.gz YZIZKTMEXGIOHY-TUAOUCFPSA-N 0 3 299.371 -1.432 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cc(F)c[nH]1)C(N)=O ZINC001374633636 887820512 /nfs/dbraw/zinc/82/05/12/887820512.db2.gz YMDYPHUJCQQXIQ-SVRRBLITSA-N 0 3 272.280 -1.292 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cc(F)c[nH]1)C(N)=O ZINC001374633634 887820699 /nfs/dbraw/zinc/82/06/99/887820699.db2.gz YMDYPHUJCQQXIQ-HTRCEHHLSA-N 0 3 272.280 -1.292 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cc(F)c[nH]1)C(N)=O ZINC001374633635 887820785 /nfs/dbraw/zinc/82/07/85/887820785.db2.gz YMDYPHUJCQQXIQ-POYBYMJQSA-N 0 3 272.280 -1.292 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1nc(Cl)cs1 ZINC001374634284 887820853 /nfs/dbraw/zinc/82/08/53/887820853.db2.gz BOUVVOCNWUQJNL-RXMQYKEDSA-N 0 3 292.748 -1.038 20 0 CAADHN COC1CCC(C(=O)NC[C@H](O)CNCC(N)=O)CC1 ZINC001374642249 887821090 /nfs/dbraw/zinc/82/10/90/887821090.db2.gz MISKRFYRQUMOES-HSOILSAZSA-N 0 3 287.360 -1.256 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cc(F)c[nH]1)C(N)=O ZINC001374633637 887821244 /nfs/dbraw/zinc/82/12/44/887821244.db2.gz YMDYPHUJCQQXIQ-XPUUQOCRSA-N 0 3 272.280 -1.292 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001374632476 887821480 /nfs/dbraw/zinc/82/14/80/887821480.db2.gz UZLMEZDIQILSTB-MRBYEJRBSA-N 0 3 299.371 -1.386 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1nc(Cl)cs1 ZINC001374634292 887821577 /nfs/dbraw/zinc/82/15/77/887821577.db2.gz BOUVVOCNWUQJNL-YFKPBYRVSA-N 0 3 292.748 -1.038 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001374645021 887822639 /nfs/dbraw/zinc/82/26/39/887822639.db2.gz YVDKFOQTQQNFKA-UWVGGRQHSA-N 0 3 296.331 -2.332 20 0 CAADHN COc1cncc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001374652105 887822694 /nfs/dbraw/zinc/82/26/94/887822694.db2.gz OIFQCORQBYLDCC-HTQZYQBOSA-N 0 3 297.315 -1.961 20 0 CAADHN CC(C)n1ccc(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001374652726 887823196 /nfs/dbraw/zinc/82/31/96/887823196.db2.gz QKEYXRBMJWQRAC-SECBINFHSA-N 0 3 283.332 -1.370 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001374643115 887823346 /nfs/dbraw/zinc/82/33/46/887823346.db2.gz QDCIVIDUVDMXPC-WPRPVWTQSA-N 0 3 282.300 -1.448 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1n[nH]cc1F)C(N)=O ZINC001374646455 887823375 /nfs/dbraw/zinc/82/33/75/887823375.db2.gz OSRLFBSWGYCXQB-SVRRBLITSA-N 0 3 287.295 -1.507 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001374644077 887823403 /nfs/dbraw/zinc/82/34/03/887823403.db2.gz ULEYOUVCXGTUMI-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1ccncn1 ZINC001374655750 887823690 /nfs/dbraw/zinc/82/36/90/887823690.db2.gz DPDBWJNBQWZUBV-UWVGGRQHSA-N 0 3 293.327 -1.565 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2nc[nH]n2)co1 ZINC001374655393 887823924 /nfs/dbraw/zinc/82/39/24/887823924.db2.gz DIVQFWCGHQOQSD-VIFPVBQESA-N 0 3 280.288 -1.018 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cccc(=O)n1C ZINC001374647531 887824078 /nfs/dbraw/zinc/82/40/78/887824078.db2.gz YZBBHALGSQFXRD-SECBINFHSA-N 0 3 296.327 -2.188 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2nc[nH]n2)co1 ZINC001374655390 887824610 /nfs/dbraw/zinc/82/46/10/887824610.db2.gz DIVQFWCGHQOQSD-SECBINFHSA-N 0 3 280.288 -1.018 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC001374651915 887824739 /nfs/dbraw/zinc/82/47/39/887824739.db2.gz XXNGKXSGEAYZRA-UHFFFAOYSA-N 0 3 295.347 -1.658 20 0 CAADHN O=C(Cc1ccco1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001374655301 887824780 /nfs/dbraw/zinc/82/47/80/887824780.db2.gz CRQIYALDSRQNCN-GXSJLCMTSA-N 0 3 281.312 -1.223 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001374643111 887824815 /nfs/dbraw/zinc/82/48/15/887824815.db2.gz QDCIVIDUVDMXPC-SCZZXKLOSA-N 0 3 282.300 -1.448 20 0 CAADHN COc1nc(C)ccc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001374652658 887824896 /nfs/dbraw/zinc/82/48/96/887824896.db2.gz PEPSHPMPSFNZBJ-SECBINFHSA-N 0 3 296.327 -1.436 20 0 CAADHN O=C(CCc1cnn[nH]1)NC[C@@H](O)CNCc1ccon1 ZINC001374652926 887824939 /nfs/dbraw/zinc/82/49/39/887824939.db2.gz PHMHUUYRIBSDSS-NSHDSACASA-N 0 3 294.315 -1.008 20 0 CAADHN O=C(Cc1ncc[nH]1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001374663235 887826385 /nfs/dbraw/zinc/82/63/85/887826385.db2.gz YRPPAVJCHUFVLQ-DTWKUNHWSA-N 0 3 281.316 -2.093 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1oncc1C ZINC001374660676 887827407 /nfs/dbraw/zinc/82/74/07/887827407.db2.gz HOTLGFUMVPUQNH-RKDXNWHRSA-N 0 3 284.316 -1.202 20 0 CAADHN COc1ncc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001374664187 887827556 /nfs/dbraw/zinc/82/75/56/887827556.db2.gz XNOFKTXVUFGFSD-APPZFPTMSA-N 0 3 297.315 -1.961 20 0 CAADHN O=C(Cc1ncc[nH]1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001374662895 887827577 /nfs/dbraw/zinc/82/75/77/887827577.db2.gz XRGBVHJCBHNKQU-NXEZZACHSA-N 0 3 295.343 -1.703 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2cccnn2)C1=O ZINC001374659437 887827596 /nfs/dbraw/zinc/82/75/96/887827596.db2.gz OZYJCAIJCMXLKZ-ONGXEEELSA-N 0 3 293.327 -1.612 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@]1(C)CCOC1 ZINC001374657442 887827646 /nfs/dbraw/zinc/82/76/46/887827646.db2.gz JJQYMNHIWARBNJ-BXKDBHETSA-N 0 3 273.333 -1.774 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CCn1cnnn1 ZINC001374663139 887827714 /nfs/dbraw/zinc/82/77/14/887827714.db2.gz XUMLYULTVOSSOV-SECBINFHSA-N 0 3 299.335 -2.782 20 0 CAADHN COc1ncc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001374664190 887827726 /nfs/dbraw/zinc/82/77/26/887827726.db2.gz XNOFKTXVUFGFSD-CBAPKCEASA-N 0 3 297.315 -1.961 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]nc1C1CC1 ZINC001374660636 887828285 /nfs/dbraw/zinc/82/82/85/887828285.db2.gz HLAMKTLANFEUFT-MRVPVSSYSA-N 0 3 281.316 -1.547 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)c2cnn(C)n2)cn1 ZINC001374660305 887828595 /nfs/dbraw/zinc/82/85/95/887828595.db2.gz ZEISNVCNHFNEKH-JTQLQIEISA-N 0 3 293.331 -1.571 20 0 CAADHN O=C(Cc1ncc[nH]1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001374663232 887828708 /nfs/dbraw/zinc/82/87/08/887828708.db2.gz YRPPAVJCHUFVLQ-BDAKNGLRSA-N 0 3 281.316 -2.093 20 0 CAADHN CC[C@H](C)NC(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001374662071 887828807 /nfs/dbraw/zinc/82/88/07/887828807.db2.gz YTLODDUGKVJMOY-DTWKUNHWSA-N 0 3 299.331 -1.335 20 0 CAADHN COc1cccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001374664433 887828860 /nfs/dbraw/zinc/82/88/60/887828860.db2.gz YMZRWVZVYBNMKG-RKDXNWHRSA-N 0 3 296.327 -1.356 20 0 CAADHN CCn1cc(CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001374666812 887829132 /nfs/dbraw/zinc/82/91/32/887829132.db2.gz OSOYOEKQUWJUBB-MWLCHTKSSA-N 0 3 297.359 -1.614 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CNCC(N)=O)nn1 ZINC001374663302 887829188 /nfs/dbraw/zinc/82/91/88/887829188.db2.gz ZMTSAEGUHUWBRK-SSDOTTSWSA-N 0 3 270.293 -2.536 20 0 CAADHN CCn1cc(CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001374666813 887829423 /nfs/dbraw/zinc/82/94/23/887829423.db2.gz OSOYOEKQUWJUBB-ONGXEEELSA-N 0 3 297.359 -1.614 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001374667328 887829472 /nfs/dbraw/zinc/82/94/72/887829472.db2.gz UMWNPNOOOYGOSD-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)Cn2cncn2)C1=O ZINC001374683381 887830576 /nfs/dbraw/zinc/83/05/76/887830576.db2.gz UFYJMORQOJDDAS-VHSXEESVSA-N 0 3 296.331 -2.425 20 0 CAADHN Cc1noc(C)c1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001374676676 887831088 /nfs/dbraw/zinc/83/10/88/887831088.db2.gz PFZDLBDVGFVMAH-SECBINFHSA-N 0 3 284.316 -1.614 20 0 CAADHN Cc1ccc(CC(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001374682469 887831324 /nfs/dbraw/zinc/83/13/24/887831324.db2.gz HEWPWVTUYPENPH-LLVKDONJSA-N 0 3 280.328 -1.515 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001374684588 887831375 /nfs/dbraw/zinc/83/13/75/887831375.db2.gz YECZLDATJLHOOB-UWVGGRQHSA-N 0 3 296.327 -1.269 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)n1 ZINC001374680199 887831592 /nfs/dbraw/zinc/83/15/92/887831592.db2.gz AVJOXYAZYGETMO-UWVGGRQHSA-N 0 3 295.343 -1.621 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1noc2c1COCC2 ZINC001374679947 887831648 /nfs/dbraw/zinc/83/16/48/887831648.db2.gz AGZJJBYMGBREJE-ZETCQYMHSA-N 0 3 298.299 -2.087 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C(C)(C)C ZINC001374673838 887831790 /nfs/dbraw/zinc/83/17/90/887831790.db2.gz PTYXGJYTWSBPKH-QMMMGPOBSA-N 0 3 288.348 -1.445 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@H](O)CN[C@@H](CC)C(N)=O ZINC001374676851 887831860 /nfs/dbraw/zinc/83/18/60/887831860.db2.gz JDQZIVOJPNAKAA-SCZZXKLOSA-N 0 3 297.359 -1.084 20 0 CAADHN Cc1noc(C)c1CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001374674750 887831885 /nfs/dbraw/zinc/83/18/85/887831885.db2.gz KAKSNZPJMIESGN-PSASIEDQSA-N 0 3 298.343 -1.226 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CNCc1ccnn1C ZINC001374679288 887831937 /nfs/dbraw/zinc/83/19/37/887831937.db2.gz ZGJBMSMKJYYUAA-SNVBAGLBSA-N 0 3 294.315 -1.008 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)Cn2cncn2)C1=O ZINC001374683369 887831967 /nfs/dbraw/zinc/83/19/67/887831967.db2.gz UFYJMORQOJDDAS-NXEZZACHSA-N 0 3 296.331 -2.425 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](O)CNCC(N)=O ZINC001374686080 887832188 /nfs/dbraw/zinc/83/21/88/887832188.db2.gz RXACMSBXDWBLCH-SSDOTTSWSA-N 0 3 281.334 -3.027 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1nccs1 ZINC001374683346 887832265 /nfs/dbraw/zinc/83/22/65/887832265.db2.gz JENPNQRBBSPNSC-MRVPVSSYSA-N 0 3 286.357 -1.372 20 0 CAADHN Cc1noc(C)c1CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001374674969 887832460 /nfs/dbraw/zinc/83/24/60/887832460.db2.gz KAKSNZPJMIESGN-WCBMZHEXSA-N 0 3 298.343 -1.226 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@@H](CC)C(N)=O ZINC001374676857 887832490 /nfs/dbraw/zinc/83/24/90/887832490.db2.gz JDQZIVOJPNAKAA-WPRPVWTQSA-N 0 3 297.359 -1.084 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCCOC1 ZINC001374683952 887832606 /nfs/dbraw/zinc/83/26/06/887832606.db2.gz KJJOGSBWKSXATK-WDEREUQCSA-N 0 3 287.360 -1.384 20 0 CAADHN Cn1cc(CCC(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001374686277 887832707 /nfs/dbraw/zinc/83/27/07/887832707.db2.gz SRAUPDCOCXIURY-JTQLQIEISA-N 0 3 283.332 -2.095 20 0 CAADHN Cc1noc(C)c1CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001374674959 887832881 /nfs/dbraw/zinc/83/28/81/887832881.db2.gz KAKSNZPJMIESGN-SCZZXKLOSA-N 0 3 298.343 -1.226 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)n1 ZINC001374680200 887833472 /nfs/dbraw/zinc/83/34/72/887833472.db2.gz AVJOXYAZYGETMO-VHSXEESVSA-N 0 3 295.343 -1.621 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1[nH]cnc1C ZINC001374676740 887833757 /nfs/dbraw/zinc/83/37/57/887833757.db2.gz ISCRCLDLJCELGY-UWVGGRQHSA-N 0 3 297.359 -1.538 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001374684586 887833865 /nfs/dbraw/zinc/83/38/65/887833865.db2.gz YECZLDATJLHOOB-NXEZZACHSA-N 0 3 296.327 -1.269 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001374674832 887834051 /nfs/dbraw/zinc/83/40/51/887834051.db2.gz HILYOVWXLNLWSP-BDAKNGLRSA-N 0 3 297.315 -1.711 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001374684972 887834064 /nfs/dbraw/zinc/83/40/64/887834064.db2.gz OLXJKCOTDPRHJU-YUMQZZPRSA-N 0 3 293.345 -2.884 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnn2cc[nH]c12)C(N)=O ZINC001374678374 887834093 /nfs/dbraw/zinc/83/40/93/887834093.db2.gz NAKJVHDFTFJDJW-JGVFFNPUSA-N 0 3 294.315 -1.784 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1cscn1 ZINC001374676253 887834198 /nfs/dbraw/zinc/83/41/98/887834198.db2.gz LWHZNEKMBDLABL-SECBINFHSA-N 0 3 286.357 -1.372 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnn2cc[nH]c12)C(N)=O ZINC001374678370 887834105 /nfs/dbraw/zinc/83/41/05/887834105.db2.gz NAKJVHDFTFJDJW-HTQZYQBOSA-N 0 3 294.315 -1.784 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)c1nnn(C)n1 ZINC001374719036 887835572 /nfs/dbraw/zinc/83/55/72/887835572.db2.gz FZCUHDWFEXUNEX-MRVPVSSYSA-N 0 3 283.336 -1.604 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001374736328 887835244 /nfs/dbraw/zinc/83/52/44/887835244.db2.gz AMARIXZTCMYDDB-MWLCHTKSSA-N 0 3 296.371 -1.020 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001374722116 887835480 /nfs/dbraw/zinc/83/54/80/887835480.db2.gz OVKFLVQXWXGYEZ-DTWKUNHWSA-N 0 3 285.348 -1.678 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCO1 ZINC001374726969 887835907 /nfs/dbraw/zinc/83/59/07/887835907.db2.gz QMHYXYIWSWSWFP-BDAKNGLRSA-N 0 3 286.332 -1.285 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1COC(=O)N1 ZINC001374713538 887836090 /nfs/dbraw/zinc/83/60/90/887836090.db2.gz SXCNSINUPRSTJQ-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001374722111 887836308 /nfs/dbraw/zinc/83/63/08/887836308.db2.gz OVKFLVQXWXGYEZ-BDAKNGLRSA-N 0 3 285.348 -1.678 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001374736440 887836392 /nfs/dbraw/zinc/83/63/92/887836392.db2.gz DIAGFDQZBRQNGQ-HTQZYQBOSA-N 0 3 296.331 -2.019 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)c1cnnn1C ZINC001374712687 887836653 /nfs/dbraw/zinc/83/66/53/887836653.db2.gz PKVMSFSSNCOZGC-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CCn1ccnn1 ZINC001374713148 887836888 /nfs/dbraw/zinc/83/68/88/887836888.db2.gz QXJQPTGDKOTZSV-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CNCC(=O)NC(C)C ZINC001374730331 887836986 /nfs/dbraw/zinc/83/69/86/887836986.db2.gz NHYPSCJNDAVJOS-SECBINFHSA-N 0 3 272.349 -1.259 20 0 CAADHN COCC(=O)N[C@H](C)CNCC(=O)NC[C@@H]1CCOC1 ZINC001374722377 887837134 /nfs/dbraw/zinc/83/71/34/887837134.db2.gz SQLWOZSPRVTJTN-MNOVXSKESA-N 0 3 287.360 -1.120 20 0 CAADHN Cc1cc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)on1 ZINC001374725387 887837727 /nfs/dbraw/zinc/83/77/27/887837727.db2.gz DSKYCKVXJKADQZ-SSDOTTSWSA-N 0 3 283.288 -1.114 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)c2nnn(C)n2)C1 ZINC001374730613 887837872 /nfs/dbraw/zinc/83/78/72/887837872.db2.gz VMGKPTZLTAVCLW-UHFFFAOYSA-N 0 3 295.347 -1.508 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)Cn1cncn1 ZINC001374720929 887838003 /nfs/dbraw/zinc/83/80/03/887838003.db2.gz ATKRPNLBKXTEGP-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1COC(=O)N1 ZINC001374713544 887838082 /nfs/dbraw/zinc/83/80/82/887838082.db2.gz SXCNSINUPRSTJQ-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)CS(C)(=O)=O ZINC001374739199 887839045 /nfs/dbraw/zinc/83/90/45/887839045.db2.gz UTPFEEZCGSXNKI-RKDXNWHRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1COCCO1 ZINC001374741178 887839188 /nfs/dbraw/zinc/83/91/88/887839188.db2.gz SYRKDIIWZSUQBC-SFYZADRCSA-N 0 3 288.304 -2.309 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1nccnc1N ZINC001374738438 887839807 /nfs/dbraw/zinc/83/98/07/887839807.db2.gz CYDKNQRCJRZYIL-MRVPVSSYSA-N 0 3 280.332 -1.145 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CN1CCOCC1=O ZINC001374769056 887840413 /nfs/dbraw/zinc/84/04/13/887840413.db2.gz AIMPOTSAHOFVQK-RKDXNWHRSA-N 0 3 286.332 -2.187 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001374750527 887840563 /nfs/dbraw/zinc/84/05/63/887840563.db2.gz APJRLKKVHHARQA-SFYZADRCSA-N 0 3 282.348 -1.155 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ccnn1C ZINC001374739716 887840615 /nfs/dbraw/zinc/84/06/15/887840615.db2.gz XYPZBEJAEDURGN-MRVPVSSYSA-N 0 3 293.331 -1.250 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001374774884 887840751 /nfs/dbraw/zinc/84/07/51/887840751.db2.gz GEKODJCJQQPSMQ-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001374752242 887840854 /nfs/dbraw/zinc/84/08/54/887840854.db2.gz CHFURQKOHBRLTI-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001374750521 887840976 /nfs/dbraw/zinc/84/09/76/887840976.db2.gz APJRLKKVHHARQA-HTQZYQBOSA-N 0 3 282.348 -1.155 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnsn1 ZINC001374738665 887841148 /nfs/dbraw/zinc/84/11/48/887841148.db2.gz DFTBLOAJJIRLPG-ZCFIWIBFSA-N 0 3 297.344 -1.132 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001374744281 887841376 /nfs/dbraw/zinc/84/13/76/887841376.db2.gz IXUITXYDSVOVHU-PWSUYJOCSA-N 0 3 298.387 -1.310 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)C[C@@H]1CCNC1=O ZINC001374769513 887841407 /nfs/dbraw/zinc/84/14/07/887841407.db2.gz CZCDGZZGSLPFLQ-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1COCCO1 ZINC001374741172 887841499 /nfs/dbraw/zinc/84/14/99/887841499.db2.gz SYRKDIIWZSUQBC-HTQZYQBOSA-N 0 3 288.304 -2.309 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@H](C)CNCC(N)=O ZINC001374756413 887841675 /nfs/dbraw/zinc/84/16/75/887841675.db2.gz SXZLRXRIQTZVKL-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)CS(C)(=O)=O ZINC001374739198 887841912 /nfs/dbraw/zinc/84/19/12/887841912.db2.gz UTPFEEZCGSXNKI-BDAKNGLRSA-N 0 3 291.373 -1.596 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001374814316 887843353 /nfs/dbraw/zinc/84/33/53/887843353.db2.gz MKKOUMACRBMJHY-NXEZZACHSA-N 0 3 296.375 -1.024 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001374776014 887843999 /nfs/dbraw/zinc/84/39/99/887843999.db2.gz VGMGOESPLGPZQD-RKDXNWHRSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](CNCc1ccnn1C)NC(=O)c1nnn(C)n1 ZINC001374800747 887843379 /nfs/dbraw/zinc/84/33/79/887843379.db2.gz SZIRIMGODYQHJJ-MRVPVSSYSA-N 0 3 278.320 -1.148 20 0 CAADHN Cc1cnn(C)c1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001374799103 887844067 /nfs/dbraw/zinc/84/40/67/887844067.db2.gz LEJBIESYWABRLQ-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCc2nnnn2CC1 ZINC001374813800 887844609 /nfs/dbraw/zinc/84/46/09/887844609.db2.gz WALIXVQPRQFCBQ-BDAKNGLRSA-N 0 3 295.347 -1.795 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001374813801 887844642 /nfs/dbraw/zinc/84/46/42/887844642.db2.gz WALIXVQPRQFCBQ-RKDXNWHRSA-N 0 3 295.347 -1.795 20 0 CAADHN CCCC[C@@H](NC[C@@H](C)NC(=O)c1nnn(C)n1)C(N)=O ZINC001374799825 887845073 /nfs/dbraw/zinc/84/50/73/887845073.db2.gz PGCFEBPUXRLMSL-RKDXNWHRSA-N 0 3 297.363 -1.038 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CN1CCCNC1=O ZINC001374779899 887845228 /nfs/dbraw/zinc/84/52/28/887845228.db2.gz HZFXNTNFFBQLDK-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CCn1nc(C(=O)N[C@H](C)CN[C@@H](C)C(N)=O)ccc1=O ZINC001374822614 887845306 /nfs/dbraw/zinc/84/53/06/887845306.db2.gz OITRFKGIXBXEDS-BDAKNGLRSA-N 0 3 295.343 -1.155 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001374814317 887845477 /nfs/dbraw/zinc/84/54/77/887845477.db2.gz MKKOUMACRBMJHY-ZJUUUORDSA-N 0 3 296.375 -1.024 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1ncn(C)c1=O ZINC001374780607 887845981 /nfs/dbraw/zinc/84/59/81/887845981.db2.gz FPBHJJKRNKBYHU-SFYZADRCSA-N 0 3 284.320 -2.450 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001374844260 887846635 /nfs/dbraw/zinc/84/66/35/887846635.db2.gz YCWBWKYOMGOFJY-ZCFIWIBFSA-N 0 3 283.288 -2.321 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)Cn1cncn1 ZINC001374843875 887846813 /nfs/dbraw/zinc/84/68/13/887846813.db2.gz AAPSUHUWKLRISC-ZJUUUORDSA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CS(C)(=O)=O ZINC001374870217 887846878 /nfs/dbraw/zinc/84/68/78/887846878.db2.gz PUQYNGPXBKRFOI-IUCAKERBSA-N 0 3 291.373 -1.644 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)CNC(=O)C1CC1 ZINC001374866153 887847170 /nfs/dbraw/zinc/84/71/70/887847170.db2.gz ATLOJYXRZFBVEP-VIFPVBQESA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1nnn(C)c1C ZINC001374871233 887847216 /nfs/dbraw/zinc/84/72/16/887847216.db2.gz GJWBBEDCRLHRQL-JGVFFNPUSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1cccn1C ZINC001374863541 887847391 /nfs/dbraw/zinc/84/73/91/887847391.db2.gz GNCPCNMQSKZPHJ-QMMMGPOBSA-N 0 3 281.316 -1.072 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001374866222 887847434 /nfs/dbraw/zinc/84/74/34/887847434.db2.gz CBGLNJDXJWWMBG-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)CS(C)(=O)=O ZINC001374870204 887847453 /nfs/dbraw/zinc/84/74/53/887847453.db2.gz PDKATBVQCHXEMU-VIFPVBQESA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)CCn1cnnn1 ZINC001374825256 887847641 /nfs/dbraw/zinc/84/76/41/887847641.db2.gz IJNWADFUAHLKEL-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CCNC(N)=O ZINC001374841712 887847753 /nfs/dbraw/zinc/84/77/53/887847753.db2.gz KKGPJWCQPSDKLU-MRVPVSSYSA-N 0 3 273.337 -1.725 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001374871432 887847918 /nfs/dbraw/zinc/84/79/18/887847918.db2.gz IXUITXYDSVOVHU-CMPLNLGQSA-N 0 3 298.387 -1.310 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cc(C)n[nH]1 ZINC001374869407 887848411 /nfs/dbraw/zinc/84/84/11/887848411.db2.gz YXVKFSYPKKBCCL-QMMMGPOBSA-N 0 3 296.331 -1.118 20 0 CAADHN COC[C@H](C)C(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001374877671 887848606 /nfs/dbraw/zinc/84/86/06/887848606.db2.gz XMUAJHUAFXNCBJ-IUCAKERBSA-N 0 3 285.348 -1.015 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CCNC(=O)NC)C(N)=O ZINC001374879920 887848851 /nfs/dbraw/zinc/84/88/51/887848851.db2.gz BARSCEJYZDERLT-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CCOC1 ZINC001374869869 887848926 /nfs/dbraw/zinc/84/89/26/887848926.db2.gz HPKPRJXYMWKQAD-IUCAKERBSA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)CCc1nnc[n-]1 ZINC001374872625 887849478 /nfs/dbraw/zinc/84/94/78/887849478.db2.gz AGHGCUWVXSPHSV-IUCAKERBSA-N 0 3 280.332 -1.280 20 0 CAADHN Cc1nccc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)n1 ZINC001374848344 887849623 /nfs/dbraw/zinc/84/96/23/887849623.db2.gz VBEMBDPOTCSABI-SSDOTTSWSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)CN1CCCC1=O ZINC001374860618 887849786 /nfs/dbraw/zinc/84/97/86/887849786.db2.gz LHKBXRQHLPKVGK-JTQLQIEISA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001374923125 887851133 /nfs/dbraw/zinc/85/11/33/887851133.db2.gz ZUTWCUNCTMEFPO-CIUDSAMLSA-N 0 3 270.333 -1.425 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)c1cn(C)nn1 ZINC001374880675 887851169 /nfs/dbraw/zinc/85/11/69/887851169.db2.gz JEQMYCSXPDVTPJ-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cnc(N(C)C)cn1 ZINC001374886449 887851402 /nfs/dbraw/zinc/85/14/02/887851402.db2.gz GYEDBXFCDGNZTK-QMMMGPOBSA-N 0 3 280.332 -1.264 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CN[C@H]2CCNC2=O)C1 ZINC001374880695 887851487 /nfs/dbraw/zinc/85/14/87/887851487.db2.gz VGNFFSSVOCJAHN-KWQFWETISA-N 0 3 282.344 -1.553 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001374905605 887851826 /nfs/dbraw/zinc/85/18/26/887851826.db2.gz QYGFIQURWXHWNH-YUMQZZPRSA-N 0 3 279.362 -1.740 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CNCc1cnn(C)c1 ZINC001374891694 887851888 /nfs/dbraw/zinc/85/18/88/887851888.db2.gz HNHWXZIUSMMIMQ-VIFPVBQESA-N 0 3 282.348 -1.057 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cn2cccnc2n1 ZINC001374905406 887852359 /nfs/dbraw/zinc/85/23/59/887852359.db2.gz FPODJXRGXGKVQY-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001374926162 887852385 /nfs/dbraw/zinc/85/23/85/887852385.db2.gz DYKXGUQHYAWRRI-QPUJVOFHSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)Cc1ccn(C)n1 ZINC001374886437 887852513 /nfs/dbraw/zinc/85/25/13/887852513.db2.gz KEOSYPKERFXNSP-ONGXEEELSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1c[nH]c(=O)n1C ZINC001374920248 887852673 /nfs/dbraw/zinc/85/26/73/887852673.db2.gz ADWBEUIHKGUEMK-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN CC[C@H](C)NC(=O)CNC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001374920965 887852693 /nfs/dbraw/zinc/85/26/93/887852693.db2.gz BWCRXQDRZKGEMK-IUCAKERBSA-N 0 3 297.363 -1.167 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001374894350 887852823 /nfs/dbraw/zinc/85/28/23/887852823.db2.gz IKKHFQYMGWIJKM-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cccc2ncnn21 ZINC001374908219 887853063 /nfs/dbraw/zinc/85/30/63/887853063.db2.gz NSMCGDTYMCCKRY-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CCN(CC)C(=O)CNC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001374925267 887853137 /nfs/dbraw/zinc/85/31/37/887853137.db2.gz DLULDXNCABYKEB-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cnc2n[nH]nc2c1 ZINC001374898194 887853329 /nfs/dbraw/zinc/85/33/29/887853329.db2.gz ISHLWELDYXJOAH-ZETCQYMHSA-N 0 3 291.315 -1.193 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cncn1C ZINC001374907665 887853634 /nfs/dbraw/zinc/85/36/34/887853634.db2.gz HJLHSOPIDWDUGE-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001374923281 887853840 /nfs/dbraw/zinc/85/38/40/887853840.db2.gz WXHFJPJKUULWAL-UWVGGRQHSA-N 0 3 299.375 -2.353 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)Cn1cnnn1 ZINC001375000249 887854841 /nfs/dbraw/zinc/85/48/41/887854841.db2.gz FRUYILYEWHKCBB-SNVBAGLBSA-N 0 3 293.335 -1.599 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)Cn1ccccc1=O ZINC001374973886 887854874 /nfs/dbraw/zinc/85/48/74/887854874.db2.gz FCRRIKHJJSFDJQ-JTQLQIEISA-N 0 3 280.328 -1.311 20 0 CAADHN Cc1ccnn1CC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001374966452 887855870 /nfs/dbraw/zinc/85/58/70/887855870.db2.gz YRLYNIDAPRQQIJ-QMMMGPOBSA-N 0 3 296.331 -1.519 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)COCc1nncn1C)C(N)=O ZINC001374952554 887856110 /nfs/dbraw/zinc/85/61/10/887856110.db2.gz MMCBZUCPRQZDFE-DTWKUNHWSA-N 0 3 298.347 -1.700 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)CCn2cnnn2)n[nH]1 ZINC001374945188 887856393 /nfs/dbraw/zinc/85/63/93/887856393.db2.gz UQIBVPFQNVLRDW-QMMMGPOBSA-N 0 3 293.335 -1.216 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001374980881 887857132 /nfs/dbraw/zinc/85/71/32/887857132.db2.gz BYVNPLNZEIYKJR-CIUDSAMLSA-N 0 3 270.333 -1.506 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CS(=O)(=O)NC)C(N)=O ZINC001374977482 887857150 /nfs/dbraw/zinc/85/71/50/887857150.db2.gz ALQBHZABSBKORG-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001374987326 887857214 /nfs/dbraw/zinc/85/72/14/887857214.db2.gz TUJBYJPRCNZUQM-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001374980882 887857351 /nfs/dbraw/zinc/85/73/51/887857351.db2.gz BYVNPLNZEIYKJR-YIZRAAEISA-N 0 3 270.333 -1.506 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001375095400 887858739 /nfs/dbraw/zinc/85/87/39/887858739.db2.gz QRIZVYGOJAPZEL-ZJUUUORDSA-N 0 3 298.343 -1.173 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001375063081 887861391 /nfs/dbraw/zinc/86/13/91/887861391.db2.gz JEKMOZLJNTUXRU-NXEZZACHSA-N 0 3 297.359 -1.025 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001375243311 887864486 /nfs/dbraw/zinc/86/44/86/887864486.db2.gz JJEUITUOOZHUBD-SECBINFHSA-N 0 3 295.347 -1.556 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001375248875 887865014 /nfs/dbraw/zinc/86/50/14/887865014.db2.gz YWWJUMDMYMAYFD-NXEZZACHSA-N 0 3 282.344 -1.423 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001375243312 887865083 /nfs/dbraw/zinc/86/50/83/887865083.db2.gz JJEUITUOOZHUBD-VIFPVBQESA-N 0 3 295.347 -1.556 20 0 CAADHN C[C@H](NC[C@H](NC(=O)c1cnn(C)c1N)C1CC1)C(N)=O ZINC001375216290 887865209 /nfs/dbraw/zinc/86/52/09/887865209.db2.gz HLULFEOCNJMSIV-XVKPBYJWSA-N 0 3 294.359 -1.026 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001375210442 887865576 /nfs/dbraw/zinc/86/55/76/887865576.db2.gz CHYDACBVSRGVPH-WCBMZHEXSA-N 0 3 283.328 -1.091 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001375207886 887866582 /nfs/dbraw/zinc/86/65/82/887866582.db2.gz FJYJDLGORWQWDM-JTQLQIEISA-N 0 3 270.333 -1.566 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001375210440 887866934 /nfs/dbraw/zinc/86/69/34/887866934.db2.gz CHYDACBVSRGVPH-PSASIEDQSA-N 0 3 283.328 -1.091 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](NC(=O)CCc1nnc[n-]1)C1CC1 ZINC001375224620 887866965 /nfs/dbraw/zinc/86/69/65/887866965.db2.gz YCYNYPBPCTUHAY-SNVBAGLBSA-N 0 3 294.359 -1.032 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H]1CCN1C[C@H]1CCOC1 ZINC001375292430 887871366 /nfs/dbraw/zinc/87/13/66/887871366.db2.gz IBENPXVKURHBID-GHMZBOCLSA-N 0 3 280.332 -1.100 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@H]2COCCO2)CC1)C(N)=O ZINC001375395748 887872478 /nfs/dbraw/zinc/87/24/78/887872478.db2.gz COPYNUBROAEKFB-VHSXEESVSA-N 0 3 285.344 -1.096 20 0 CAADHN CC[C@H](NC1(CNC(=O)c2cn(C)nn2)CC1)C(N)=O ZINC001375412020 887875284 /nfs/dbraw/zinc/87/52/84/887875284.db2.gz BSBBNZQJACHJEJ-QMMMGPOBSA-N 0 3 280.332 -1.069 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001375409951 887875617 /nfs/dbraw/zinc/87/56/17/887875617.db2.gz OGNYZTUWJBOYJV-OPRDCNLKSA-N 0 3 297.359 -1.760 20 0 CAADHN CCCN1CC[C@@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001375347095 887876282 /nfs/dbraw/zinc/87/62/82/887876282.db2.gz FNEJLKWBDXGQKL-MNOVXSKESA-N 0 3 284.360 -1.033 20 0 CAADHN CCN1CC[C@@H]1CN(C)C(=O)CNS(=O)(=O)N(C)C ZINC001375478250 887878022 /nfs/dbraw/zinc/87/80/22/887878022.db2.gz ZEHSIWCWOYCIIR-SNVBAGLBSA-N 0 3 292.405 -1.065 20 0 CAADHN CCN1CC[C@H]1CN(C)C(=O)CNC(=O)CNC(C)=O ZINC001375456297 887879170 /nfs/dbraw/zinc/87/91/70/887879170.db2.gz FRDADSZMDSDDLV-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001375508908 887882057 /nfs/dbraw/zinc/88/20/57/887882057.db2.gz FQDVATXGGAFSKS-BBBLOLIVSA-N 0 3 294.359 -1.034 20 0 CAADHN CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)Cn2cnnn2)n1 ZINC001375606776 887882977 /nfs/dbraw/zinc/88/29/77/887882977.db2.gz SEODZVRHIZAGGD-UHFFFAOYSA-N 0 3 292.303 -1.405 20 0 CAADHN COCC(=O)NCc1nc(C[NH2+]C[C@H](C)O)cc(=O)[n-]1 ZINC001375597324 887883584 /nfs/dbraw/zinc/88/35/84/887883584.db2.gz QHJKQNGLYQEKMG-QMMMGPOBSA-N 0 3 284.316 -1.085 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@@H](N(CCO)CCO)C2)n1 ZINC001375624675 887883594 /nfs/dbraw/zinc/88/35/94/887883594.db2.gz VJOLIGMYMXUJAR-SNVBAGLBSA-N 0 3 298.347 -1.899 20 0 CAADHN C[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H](CNCC(N)=O)C1 ZINC001375588110 887883658 /nfs/dbraw/zinc/88/36/58/887883658.db2.gz SHECCGGRDIGPCY-ZJUUUORDSA-N 0 3 295.347 -1.625 20 0 CAADHN CN(CCO)C[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001375681015 887886421 /nfs/dbraw/zinc/88/64/21/887886421.db2.gz SWNJAAQDMWYOTP-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001375747805 887888821 /nfs/dbraw/zinc/88/88/21/887888821.db2.gz HWXLJWZYEZANFU-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001375762066 887889040 /nfs/dbraw/zinc/88/90/40/887889040.db2.gz OVNPLKVTFSBWLY-LPEHRKFASA-N 0 3 298.343 -1.915 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001375752107 887889342 /nfs/dbraw/zinc/88/93/42/887889342.db2.gz WHTSNFCZBDLNPU-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001375760654 887889738 /nfs/dbraw/zinc/88/97/38/887889738.db2.gz LNLXGXLBQBONCR-JTQLQIEISA-N 0 3 297.359 -2.516 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)Cc1nnc(C)[nH]1 ZINC001375748295 887889997 /nfs/dbraw/zinc/88/99/97/887889997.db2.gz KMNSHMCUSBHYGB-JTQLQIEISA-N 0 3 294.359 -1.018 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001375747807 887890160 /nfs/dbraw/zinc/89/01/60/887890160.db2.gz HWXLJWZYEZANFU-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)Cc1nnc(C)[nH]1 ZINC001375748296 887890299 /nfs/dbraw/zinc/89/02/99/887890299.db2.gz KMNSHMCUSBHYGB-SNVBAGLBSA-N 0 3 294.359 -1.018 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@]1(C)CCC(=O)N1 ZINC001375764030 887890400 /nfs/dbraw/zinc/89/04/00/887890400.db2.gz YCBQSCOIJYJIMD-YGRLFVJLSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001375738085 887890441 /nfs/dbraw/zinc/89/04/41/887890441.db2.gz ICRYYTSVHLOAPN-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@H]1CN[C@@H](C)C(N)=O ZINC001375752106 887890681 /nfs/dbraw/zinc/89/06/81/887890681.db2.gz WHTSNFCZBDLNPU-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@@H]1CN[C@H](C)C(N)=O ZINC001375752105 887890736 /nfs/dbraw/zinc/89/07/36/887890736.db2.gz WHTSNFCZBDLNPU-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001375747809 887890853 /nfs/dbraw/zinc/89/08/53/887890853.db2.gz HWXLJWZYEZANFU-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN O=C(CN1CCCC1=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001376000040 887892226 /nfs/dbraw/zinc/89/22/26/887892226.db2.gz XYAZYZVGRPCUMH-ZDUSSCGKSA-N 0 3 285.344 -1.846 20 0 CAADHN COCC(=O)NC[C@]1(O)CCN(CCN2CCCC2=O)C1 ZINC001375987881 887892843 /nfs/dbraw/zinc/89/28/43/887892843.db2.gz JFYRAWJKKWIFME-CQSZACIVSA-N 0 3 299.371 -1.192 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001375992341 887893493 /nfs/dbraw/zinc/89/34/93/887893493.db2.gz ANMDACIRCCQJNL-BXKDBHETSA-N 0 3 273.333 -1.944 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001376045969 887896843 /nfs/dbraw/zinc/89/68/43/887896843.db2.gz SFRSDPUAHCSSLL-LBPRGKRZSA-N 0 3 284.316 -1.417 20 0 CAADHN CNC(=O)NCC(=O)N(C)C1CCN(CCO)CC1 ZINC001376010892 887899217 /nfs/dbraw/zinc/89/92/17/887899217.db2.gz DZBPCEFCDQGILF-UHFFFAOYSA-N 0 3 272.349 -1.170 20 0 CAADHN Cc1nnc(CC(=O)NC[C@]2(O)CCN(CCO)C2)o1 ZINC001376036355 887899782 /nfs/dbraw/zinc/89/97/82/887899782.db2.gz MBZXVKPGXWSXRJ-GFCCVEGCSA-N 0 3 284.316 -1.534 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@]1(O)CCN(CCO)C1 ZINC001376037873 887899888 /nfs/dbraw/zinc/89/98/88/887899888.db2.gz QLLBVWJHBNCWAQ-JTQLQIEISA-N 0 3 270.293 -2.782 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001376112083 887903314 /nfs/dbraw/zinc/90/33/14/887903314.db2.gz QUFBEVRJYLSVJK-VHSXEESVSA-N 0 3 296.327 -1.006 20 0 CAADHN C[C@@H](O)CN1CCN(CCNC(=O)Cn2ccnc2)CC1 ZINC001376103056 887903579 /nfs/dbraw/zinc/90/35/79/887903579.db2.gz HMOXMUDQQGZQJH-CYBMUJFWSA-N 0 3 295.387 -1.002 20 0 CAADHN C[C@H](O)CN1CCN(CCNC(=O)Cn2ccnc2)CC1 ZINC001376103063 887903638 /nfs/dbraw/zinc/90/36/38/887903638.db2.gz HMOXMUDQQGZQJH-ZDUSSCGKSA-N 0 3 295.387 -1.002 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001376127307 887906043 /nfs/dbraw/zinc/90/60/43/887906043.db2.gz GSRJNDREYAKKSU-SNVBAGLBSA-N 0 3 273.333 -1.678 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001376122283 887906299 /nfs/dbraw/zinc/90/62/99/887906299.db2.gz UTYHXCLCACSUGU-SECBINFHSA-N 0 3 279.362 -1.892 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001376132182 887906354 /nfs/dbraw/zinc/90/63/54/887906354.db2.gz VAUYNKFHPYWPMJ-UWVGGRQHSA-N 0 3 293.389 -1.503 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001376142686 887908790 /nfs/dbraw/zinc/90/87/90/887908790.db2.gz HAOOJLNETFZHCQ-ZJUUUORDSA-N 0 3 283.332 -1.075 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001376142684 887908978 /nfs/dbraw/zinc/90/89/78/887908978.db2.gz HAOOJLNETFZHCQ-VHSXEESVSA-N 0 3 283.332 -1.075 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)COCc2nncn2C)C1 ZINC001376152890 887909131 /nfs/dbraw/zinc/90/91/31/887909131.db2.gz NFMHYXBCXHIIAZ-WDEREUQCSA-N 0 3 297.359 -1.097 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001376142703 887909599 /nfs/dbraw/zinc/90/95/99/887909599.db2.gz HEMDDJOBJDMWFJ-NXEZZACHSA-N 0 3 298.343 -1.063 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001376138404 887910468 /nfs/dbraw/zinc/91/04/68/887910468.db2.gz FZMAZVGAZMEKLQ-GRYCIOLGSA-N 0 3 299.371 -1.195 20 0 CAADHN COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001376158855 887912233 /nfs/dbraw/zinc/91/22/33/887912233.db2.gz HEVKCBLPDBTPSN-UWVGGRQHSA-N 0 3 283.332 -1.455 20 0 CAADHN COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001376158855 887912235 /nfs/dbraw/zinc/91/22/35/887912235.db2.gz HEVKCBLPDBTPSN-UWVGGRQHSA-N 0 3 283.332 -1.455 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)CN1CCOCC1)C1CC1)C(N)=O ZINC001376204037 887915380 /nfs/dbraw/zinc/91/53/80/887915380.db2.gz GRNMACKZFZCYDT-JQWIXIFHSA-N 0 3 298.387 -1.323 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001376204476 887915404 /nfs/dbraw/zinc/91/54/04/887915404.db2.gz ILNISFNLHNVQQV-XPUUQOCRSA-N 0 3 271.321 -1.987 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001376210614 887915636 /nfs/dbraw/zinc/91/56/36/887915636.db2.gz FCMAMUSYKUKHGT-ZJUUUORDSA-N 0 3 282.344 -1.518 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](NCC(=O)N(C)C)C1CC1 ZINC001376232712 887915689 /nfs/dbraw/zinc/91/56/89/887915689.db2.gz WTKFGMOYSRJJNL-SNVBAGLBSA-N 0 3 299.375 -1.512 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001376224948 887915743 /nfs/dbraw/zinc/91/57/43/887915743.db2.gz VPMMIPAUEPFJLU-SNVBAGLBSA-N 0 3 295.347 -1.706 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001376214994 887915829 /nfs/dbraw/zinc/91/58/29/887915829.db2.gz CXXWWUSIWKLQRA-NSHDSACASA-N 0 3 282.344 -1.566 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](NCC(N)=O)C2CC2)c1N ZINC001376208945 887916254 /nfs/dbraw/zinc/91/62/54/887916254.db2.gz ZORYOKSFEWPHBW-VIFPVBQESA-N 0 3 280.332 -1.414 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001376213665 887916267 /nfs/dbraw/zinc/91/62/67/887916267.db2.gz LGRHHCOGKAAHAT-SECBINFHSA-N 0 3 279.300 -1.235 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001376214990 887916350 /nfs/dbraw/zinc/91/63/50/887916350.db2.gz CXXWWUSIWKLQRA-LLVKDONJSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](NCC(=O)N(C)C)C1CC1 ZINC001376232709 887916542 /nfs/dbraw/zinc/91/65/42/887916542.db2.gz WTKFGMOYSRJJNL-JTQLQIEISA-N 0 3 299.375 -1.512 20 0 CAADHN Cn1nncc1C(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001376224653 887916776 /nfs/dbraw/zinc/91/67/76/887916776.db2.gz VJGMRFSLABYODE-ZJUUUORDSA-N 0 3 292.343 -1.198 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001376283146 887918075 /nfs/dbraw/zinc/91/80/75/887918075.db2.gz WYCOGRDEGLFIHG-MNOVXSKESA-N 0 3 296.371 -1.033 20 0 CAADHN CCCN(C)CC(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1 ZINC001376267113 887918149 /nfs/dbraw/zinc/91/81/49/887918149.db2.gz HRXIBLWPIJDFFV-LLVKDONJSA-N 0 3 298.387 -1.620 20 0 CAADHN CCCN(C)CC(=O)NCC1(O)CN(C[C@H](C)O)C1 ZINC001376266976 887918329 /nfs/dbraw/zinc/91/83/29/887918329.db2.gz GBDNUIMEEGJTCN-NSHDSACASA-N 0 3 273.377 -1.128 20 0 CAADHN CC[C@@H](C(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1)N(C)C ZINC001376268812 887918568 /nfs/dbraw/zinc/91/85/68/887918568.db2.gz CCWDALJXHXIHIO-UWVGGRQHSA-N 0 3 286.376 -1.637 20 0 CAADHN CNC(=O)C[NH2+][C@H](CNC(=O)Cc1nnc[n-]1)C1CC1 ZINC001376257802 887918592 /nfs/dbraw/zinc/91/85/92/887918592.db2.gz HDZMDYYSYAMHDF-SECBINFHSA-N 0 3 280.332 -1.422 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001376252633 887918700 /nfs/dbraw/zinc/91/87/00/887918700.db2.gz GOVDPAQIRVWIFD-GHMZBOCLSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001376252643 887918863 /nfs/dbraw/zinc/91/88/63/887918863.db2.gz GOVDPAQIRVWIFD-MNOVXSKESA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@H](C(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1)N(C)C ZINC001376268822 887919201 /nfs/dbraw/zinc/91/92/01/887919201.db2.gz CCWDALJXHXIHIO-VHSXEESVSA-N 0 3 286.376 -1.637 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001376252653 887919374 /nfs/dbraw/zinc/91/93/74/887919374.db2.gz GOVDPAQIRVWIFD-QWRGUYRKSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001376301825 887921256 /nfs/dbraw/zinc/92/12/56/887921256.db2.gz YHKRSLVFORCAOS-WPRPVWTQSA-N 0 3 295.347 -1.708 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001376314651 887921667 /nfs/dbraw/zinc/92/16/67/887921667.db2.gz UBAQPKWFLTYNSF-RVBZMBCESA-N 0 3 296.327 -1.592 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001376319729 887921864 /nfs/dbraw/zinc/92/18/64/887921864.db2.gz ILPUWVFXYIWQMD-UWVGGRQHSA-N 0 3 298.343 -1.202 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001376304517 887922278 /nfs/dbraw/zinc/92/22/78/887922278.db2.gz INFLVAGXMARFRI-JTQLQIEISA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cc2nnc(C)o2)C1 ZINC001376319695 887922369 /nfs/dbraw/zinc/92/23/69/887922369.db2.gz SACQYCKOPNZRGL-VIFPVBQESA-N 0 3 281.316 -1.143 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001376319670 887922379 /nfs/dbraw/zinc/92/23/79/887922379.db2.gz RYGDEXIXSNCPEC-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001376319900 887922458 /nfs/dbraw/zinc/92/24/58/887922458.db2.gz UEFRDBDUGFLFHK-IUCAKERBSA-N 0 3 285.348 -1.678 20 0 CAADHN COCC(=O)N1CC[C@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001376306441 887922462 /nfs/dbraw/zinc/92/24/62/887922462.db2.gz QRQBJTROIPOQHI-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C(F)F)C1 ZINC001376306241 887922549 /nfs/dbraw/zinc/92/25/49/887922549.db2.gz PSHOLIJDOQFKKQ-LURJTMIESA-N 0 3 278.259 -1.102 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001376341299 887924444 /nfs/dbraw/zinc/92/44/44/887924444.db2.gz PXIBZHWTTDFJBJ-QWRGUYRKSA-N 0 3 294.355 -1.266 20 0 CAADHN CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001376340073 887925398 /nfs/dbraw/zinc/92/53/98/887925398.db2.gz ZTCXOZIUSRZABX-WPRPVWTQSA-N 0 3 299.375 -1.255 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001376530524 887937322 /nfs/dbraw/zinc/93/73/22/887937322.db2.gz IURFFMTUPKJZEU-NSHDSACASA-N 0 3 297.359 -1.042 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)c2ccon2)C1=O ZINC001376535618 887937659 /nfs/dbraw/zinc/93/76/59/887937659.db2.gz FTFFAMCQTHQYEH-JTQLQIEISA-N 0 3 296.327 -1.071 20 0 CAADHN Cn1cnc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)n1 ZINC001376536234 887937734 /nfs/dbraw/zinc/93/77/34/887937734.db2.gz GRZBBXLXJBQDAN-VIFPVBQESA-N 0 3 296.331 -2.272 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)[C@H](C)OC)N(C)C ZINC001376520401 887938328 /nfs/dbraw/zinc/93/83/28/887938328.db2.gz IUOIJDBEZNHDJM-DCAQKATOSA-N 0 3 289.376 -1.045 20 0 CAADHN CO[C@H](C)C(=O)N(CCO)CCN[C@@H](C)C(=O)N(C)C ZINC001376533829 887938565 /nfs/dbraw/zinc/93/85/65/887938565.db2.gz CQJPUSVMBNJZRW-WDEREUQCSA-N 0 3 289.376 -1.092 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)c2ccon2)C1=O ZINC001376535637 887939384 /nfs/dbraw/zinc/93/93/84/887939384.db2.gz FTFFAMCQTHQYEH-SNVBAGLBSA-N 0 3 296.327 -1.071 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C1=CCOCC1)C(N)=O ZINC001376540284 887941236 /nfs/dbraw/zinc/94/12/36/887941236.db2.gz PHRXVYQKNKEKLG-SNVBAGLBSA-N 0 3 285.344 -1.383 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ccn(C)n1)C(N)=O ZINC001376549675 887942213 /nfs/dbraw/zinc/94/22/13/887942213.db2.gz PGSQBSBHMODNFO-SECBINFHSA-N 0 3 283.332 -1.682 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001376549308 887942414 /nfs/dbraw/zinc/94/24/14/887942414.db2.gz MMKCQRIORLRCEP-BDAKNGLRSA-N 0 3 299.331 -3.033 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cc1cccnc1)C(N)=O ZINC001376541628 887942886 /nfs/dbraw/zinc/94/28/86/887942886.db2.gz SEJGGLFEGDBFEV-NSHDSACASA-N 0 3 294.355 -1.092 20 0 CAADHN CCc1cc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)[nH]n1 ZINC001376539176 887943355 /nfs/dbraw/zinc/94/33/55/887943355.db2.gz LXUMAXUKZWOIEH-VIFPVBQESA-N 0 3 297.359 -1.130 20 0 CAADHN O=C([C@H]1CCCCO1)N(CCO)CCN[C@H]1CCNC1=O ZINC001376540618 887943703 /nfs/dbraw/zinc/94/37/03/887943703.db2.gz QHMFHRKCDKJZPD-NWDGAFQWSA-N 0 3 299.371 -1.146 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001376601520 887944958 /nfs/dbraw/zinc/94/49/58/887944958.db2.gz OFWDAVXTTDFZKM-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN COC(=O)NCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001376611300 887945077 /nfs/dbraw/zinc/94/50/77/887945077.db2.gz ZZCCNPZBZXYSJQ-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)Cn1cncn1 ZINC001376613317 887945149 /nfs/dbraw/zinc/94/51/49/887945149.db2.gz SHCSUKVXXKZQLN-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)Cn1cncn1 ZINC001376613315 887945170 /nfs/dbraw/zinc/94/51/70/887945170.db2.gz SHCSUKVXXKZQLN-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cnco1)C(N)=O ZINC001376634533 887945211 /nfs/dbraw/zinc/94/52/11/887945211.db2.gz PITQHVWWDQFWOX-VIFPVBQESA-N 0 3 284.316 -1.037 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1n[nH]nc1C ZINC001376629870 887945302 /nfs/dbraw/zinc/94/53/02/887945302.db2.gz LMAJYPIDWYKCEX-SECBINFHSA-N 0 3 298.347 -1.728 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001376601515 887946877 /nfs/dbraw/zinc/94/68/77/887946877.db2.gz OFWDAVXTTDFZKM-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001376601508 887946881 /nfs/dbraw/zinc/94/68/81/887946881.db2.gz OFWDAVXTTDFZKM-GHMZBOCLSA-N 0 3 296.371 -1.031 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1n[nH]nc1C ZINC001376629889 887947025 /nfs/dbraw/zinc/94/70/25/887947025.db2.gz LMAJYPIDWYKCEX-VIFPVBQESA-N 0 3 298.347 -1.728 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CNC(=O)OC ZINC001376687532 887948434 /nfs/dbraw/zinc/94/84/34/887948434.db2.gz DNQGGDPHJKRFNS-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN CCOCC(=O)NC[C@@H](C)NCC(=O)N1CCOCC1 ZINC001376698179 887948901 /nfs/dbraw/zinc/94/89/01/887948901.db2.gz VNNBYFGAXSQVDF-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001376691674 887949261 /nfs/dbraw/zinc/94/92/61/887949261.db2.gz DAOKCKJXVHYPIS-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1ccn[nH]1 ZINC001376690612 887949327 /nfs/dbraw/zinc/94/93/27/887949327.db2.gz AOVGPVGTHSMRSL-JGVFFNPUSA-N 0 3 296.331 -1.038 20 0 CAADHN CC(=O)NC[C@H](C)NCC(=O)N1CCC(C(N)=O)CC1 ZINC001376683033 887949375 /nfs/dbraw/zinc/94/93/75/887949375.db2.gz WYVRVLWECNACLR-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CNC(=O)OC ZINC001376697474 887949489 /nfs/dbraw/zinc/94/94/89/887949489.db2.gz UWXAKVLKHNERBU-HTQZYQBOSA-N 0 3 274.321 -1.429 20 0 CAADHN COCC(=O)NC[C@H](C)NCC(=O)N1CCO[C@H](C)C1 ZINC001376681212 887949508 /nfs/dbraw/zinc/94/95/08/887949508.db2.gz LMYPMJGNGRWPFM-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CC(=O)N1CCCC[C@@H]1CNCC(=O)N1CCNC(=O)C1 ZINC001376673704 887949519 /nfs/dbraw/zinc/94/95/19/887949519.db2.gz DOOQIFGMNUBSNW-GFCCVEGCSA-N 0 3 296.371 -1.065 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001376694709 887949617 /nfs/dbraw/zinc/94/96/17/887949617.db2.gz OQXFGRPCKGTWBM-BDAKNGLRSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@H](CNC(=O)Cc1cnn(C)c1)N[C@H]1CCNC1=O ZINC001376694349 887949741 /nfs/dbraw/zinc/94/97/41/887949741.db2.gz JAILOPUMOLROMA-KOLCDFICSA-N 0 3 279.344 -1.055 20 0 CAADHN CNC(=O)NCC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001376682756 887949781 /nfs/dbraw/zinc/94/97/81/887949781.db2.gz DVCAXBWGVGPKPX-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN CN1C[C@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)NC1=O ZINC001376685575 887949812 /nfs/dbraw/zinc/94/98/12/887949812.db2.gz LFEKBYFHZFOWJH-NXEZZACHSA-N 0 3 297.359 -1.534 20 0 CAADHN CC(=O)NC[C@@H](C)NCC(=O)N1CCC(C(N)=O)CC1 ZINC001376683028 887949902 /nfs/dbraw/zinc/94/99/02/887949902.db2.gz WYVRVLWECNACLR-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN COC[C@@H](C)NC(=O)NC(=O)CN[C@@H](C)CNC(C)=O ZINC001376681743 887949914 /nfs/dbraw/zinc/94/99/14/887949914.db2.gz OMLJJCOKEWWMRJ-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CNC(=O)OC ZINC001376697480 887950050 /nfs/dbraw/zinc/95/00/50/887950050.db2.gz UWXAKVLKHNERBU-SFYZADRCSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CC1(F)F)NCC(=O)NC(N)=O ZINC001376726722 887952391 /nfs/dbraw/zinc/95/23/91/887952391.db2.gz JKRJBFHHRHUEBR-NTSWFWBYSA-N 0 3 278.259 -1.069 20 0 CAADHN Cc1cc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)cnn1 ZINC001376721784 887951883 /nfs/dbraw/zinc/95/18/83/887951883.db2.gz HZSKQBGFCGYGOO-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@H](CNC(=O)CS(C)(=O)=O)NCC(=O)N1CCC1 ZINC001376702964 887951936 /nfs/dbraw/zinc/95/19/36/887951936.db2.gz GSORGRNPRTUZGX-SECBINFHSA-N 0 3 291.373 -1.642 20 0 CAADHN C[C@@H](CNC(=O)CS(C)(=O)=O)N[C@@H]1CCCNC1=O ZINC001376704052 887951965 /nfs/dbraw/zinc/95/19/65/887951965.db2.gz HVLQYULPSYDKGB-DTWKUNHWSA-N 0 3 291.373 -1.596 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001376702520 887952029 /nfs/dbraw/zinc/95/20/29/887952029.db2.gz RNYOIXRQSVCSLG-VIFPVBQESA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N[C@H]1CCCN(C)C1=O ZINC001376722835 887952121 /nfs/dbraw/zinc/95/21/21/887952121.db2.gz JEUDBIFNUDXYMM-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)[C@H](C)NC(N)=O)n[nH]1 ZINC001376725743 887952258 /nfs/dbraw/zinc/95/22/58/887952258.db2.gz PSBACVPLEDZPJD-RQJHMYQMSA-N 0 3 283.336 -1.236 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001376713961 887952272 /nfs/dbraw/zinc/95/22/72/887952272.db2.gz IEXWTINHQVXDBS-DTWKUNHWSA-N 0 3 286.332 -1.286 20 0 CAADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)NCC(=O)NC(N)=O ZINC001376716518 887952549 /nfs/dbraw/zinc/95/25/49/887952549.db2.gz JXBPCZJVCVIIPA-QMMMGPOBSA-N 0 3 296.331 -1.748 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001376713967 887952708 /nfs/dbraw/zinc/95/27/08/887952708.db2.gz IEXWTINHQVXDBS-IUCAKERBSA-N 0 3 286.332 -1.286 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COCCO1)NCC(=O)N1CCC1 ZINC001376701725 887953071 /nfs/dbraw/zinc/95/30/71/887953071.db2.gz QJICLFYXWFDJKE-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2COCCO2)CCC1 ZINC001376711023 887953277 /nfs/dbraw/zinc/95/32/77/887953277.db2.gz HQTVMGMTTVNQLB-SECBINFHSA-N 0 3 271.317 -1.484 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001376713972 887953350 /nfs/dbraw/zinc/95/33/50/887953350.db2.gz IEXWTINHQVXDBS-RKDXNWHRSA-N 0 3 286.332 -1.286 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)N[C@H]1CCCN(C)C1=O ZINC001376722829 887953504 /nfs/dbraw/zinc/95/35/04/887953504.db2.gz JEUDBIFNUDXYMM-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COCCO1)NCC(=O)N1CCC1 ZINC001376701729 887953619 /nfs/dbraw/zinc/95/36/19/887953619.db2.gz QJICLFYXWFDJKE-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC ZINC001376715526 887953788 /nfs/dbraw/zinc/95/37/88/887953788.db2.gz JLQWCCFAQSSPCK-DTWKUNHWSA-N 0 3 287.364 -1.466 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cn(C)cn1 ZINC001376707214 887954029 /nfs/dbraw/zinc/95/40/29/887954029.db2.gz HPPZVAHXWYEMHF-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](CNC(=O)C[C@H]1CCC(=O)NC1)NCC(N)=O ZINC001376741305 887955834 /nfs/dbraw/zinc/95/58/34/887955834.db2.gz CPCQVCAFGHZTSE-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN COC[C@H](O)C[NH2+][C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001376747389 887955869 /nfs/dbraw/zinc/95/58/69/887955869.db2.gz JIVCDXCIYPSKOF-RKDXNWHRSA-N 0 3 284.316 -1.103 20 0 CAADHN Cn1cnn(CC(=O)NCC2(NCC(N)=O)CCC2)c1=O ZINC001376761262 887955974 /nfs/dbraw/zinc/95/59/74/887955974.db2.gz XRJQIQDHFUFDFZ-UHFFFAOYSA-N 0 3 296.331 -2.304 20 0 CAADHN COCc1nn(C)cc1C(=O)NC[C@H](C)NCC(N)=O ZINC001376750718 887955995 /nfs/dbraw/zinc/95/59/95/887955995.db2.gz CQRQAYNIEQIBEY-QMMMGPOBSA-N 0 3 283.332 -1.240 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 ZINC001376734931 887956132 /nfs/dbraw/zinc/95/61/32/887956132.db2.gz MZTYKPFDCPEBEN-QMMMGPOBSA-N 0 3 284.316 -1.531 20 0 CAADHN COc1c[nH]c(C(=O)NC[C@H](C)N[C@H](C)C(N)=O)cc1=O ZINC001376770744 887956177 /nfs/dbraw/zinc/95/61/77/887956177.db2.gz BKQPGWVHUDIKLB-JGVFFNPUSA-N 0 3 296.327 -1.035 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CCC(=O)NC2)CCC1 ZINC001376753718 887956204 /nfs/dbraw/zinc/95/62/04/887956204.db2.gz BMULWLAQEITMRG-SECBINFHSA-N 0 3 282.344 -1.374 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](C)NC(=O)Cn1cnnn1)N(C)C ZINC001376731756 887956302 /nfs/dbraw/zinc/95/63/02/887956302.db2.gz YFGDAHQNBMMJIY-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN COCc1nn(C)cc1C(=O)NC[C@@H](C)NCC(N)=O ZINC001376750709 887956493 /nfs/dbraw/zinc/95/64/93/887956493.db2.gz CQRQAYNIEQIBEY-MRVPVSSYSA-N 0 3 283.332 -1.240 20 0 CAADHN COc1c[nH]c(C(=O)NC[C@H](C)N[C@@H](C)C(N)=O)cc1=O ZINC001376770749 887956703 /nfs/dbraw/zinc/95/67/03/887956703.db2.gz BKQPGWVHUDIKLB-YUMQZZPRSA-N 0 3 296.327 -1.035 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CC1(F)F)NCC(=O)NC(N)=O ZINC001376726724 887956992 /nfs/dbraw/zinc/95/69/92/887956992.db2.gz JKRJBFHHRHUEBR-PHDIDXHHSA-N 0 3 278.259 -1.069 20 0 CAADHN COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001376747386 887957065 /nfs/dbraw/zinc/95/70/65/887957065.db2.gz JIVCDXCIYPSKOF-IUCAKERBSA-N 0 3 284.316 -1.103 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001376781623 887957225 /nfs/dbraw/zinc/95/72/25/887957225.db2.gz FOCSFFRCTPYQFI-SNVBAGLBSA-N 0 3 299.375 -2.351 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)NCCF ZINC001376732050 887957656 /nfs/dbraw/zinc/95/76/56/887957656.db2.gz NFYQYWSKRUOKQN-ZETCQYMHSA-N 0 3 272.284 -1.559 20 0 CAADHN C[C@H](CNC(=O)CC1CS(=O)(=O)C1)N[C@@H](C)C(N)=O ZINC001376756723 887957902 /nfs/dbraw/zinc/95/79/02/887957902.db2.gz KPXZEZNQHCCWBM-SFYZADRCSA-N 0 3 291.373 -1.611 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN1CCCCC1=O ZINC001376753109 887958259 /nfs/dbraw/zinc/95/82/59/887958259.db2.gz NCTXOZPZLDAKJB-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)CCO1 ZINC001376837972 887959297 /nfs/dbraw/zinc/95/92/97/887959297.db2.gz FFOUAIRZRWEYSF-VIFPVBQESA-N 0 3 295.299 -1.902 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001376787553 887959334 /nfs/dbraw/zinc/95/93/34/887959334.db2.gz RQCBWDOZTVEBJO-SSDOTTSWSA-N 0 3 295.365 -3.120 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)COCC2CC2)CCO1 ZINC001376833546 887959361 /nfs/dbraw/zinc/95/93/61/887959361.db2.gz FHDMBSTVRCWLRC-LLVKDONJSA-N 0 3 285.344 -1.285 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001376834971 887959371 /nfs/dbraw/zinc/95/93/71/887959371.db2.gz HMOBBNZYXNBRDI-ONGXEEELSA-N 0 3 295.343 -1.025 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001376822880 887959569 /nfs/dbraw/zinc/95/95/69/887959569.db2.gz ODKJZZOWXZUMSJ-YUMQZZPRSA-N 0 3 272.349 -1.131 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)COCC2CC2)CCO1 ZINC001376833548 887959620 /nfs/dbraw/zinc/95/96/20/887959620.db2.gz FHDMBSTVRCWLRC-NSHDSACASA-N 0 3 285.344 -1.285 20 0 CAADHN C[C@H](CNC(=O)CCn1cnnn1)NCC(=O)N(C)C ZINC001376830981 887959870 /nfs/dbraw/zinc/95/98/70/887959870.db2.gz GDXSYLQUAHLGBA-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN CC(=O)N1CCO[C@@H](CNCC(=O)NC(=O)NC2CC2)C1 ZINC001376832938 887959920 /nfs/dbraw/zinc/95/99/20/887959920.db2.gz RAMGHRRKAXHFHD-NSHDSACASA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCc1cnn(C)c1 ZINC001376795370 887959977 /nfs/dbraw/zinc/95/99/77/887959977.db2.gz BDUDONFTVRKBCZ-WPRPVWTQSA-N 0 3 280.332 -1.304 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NC[C@@H](C)NCCF)C(N)=O ZINC001376821897 887960428 /nfs/dbraw/zinc/96/04/28/887960428.db2.gz RJKJYYVZAGKPSP-APPZFPTMSA-N 0 3 276.312 -1.570 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001376834968 887960666 /nfs/dbraw/zinc/96/06/66/887960666.db2.gz HMOBBNZYXNBRDI-KOLCDFICSA-N 0 3 295.343 -1.025 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cncn1C)C(=O)NC(N)=O ZINC001376819460 887960823 /nfs/dbraw/zinc/96/08/23/887960823.db2.gz LLCGUBAWJCQYNS-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccoc1CC(N)=O ZINC001376794407 887960943 /nfs/dbraw/zinc/96/09/43/887960943.db2.gz WIMXQJMQJVRFSP-MRVPVSSYSA-N 0 3 296.327 -1.239 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001376825972 887960983 /nfs/dbraw/zinc/96/09/83/887960983.db2.gz AMOWMMFUHRZMEU-JTQLQIEISA-N 0 3 293.327 -1.347 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001376822870 887961127 /nfs/dbraw/zinc/96/11/27/887961127.db2.gz ODKJZZOWXZUMSJ-HTQZYQBOSA-N 0 3 272.349 -1.131 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)NCCS(C)(=O)=O ZINC001376816927 887961230 /nfs/dbraw/zinc/96/12/30/887961230.db2.gz CYVPXXBACDRPGY-MRVPVSSYSA-N 0 3 289.361 -1.432 20 0 CAADHN C[C@H](CNC(=O)c1cncn1C)N[C@H](C)C(=O)NC(N)=O ZINC001376819459 887961349 /nfs/dbraw/zinc/96/13/49/887961349.db2.gz LLCGUBAWJCQYNS-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN CC[C@@H](NC[C@@H]1CN(C(=O)c2cnon2)CCO1)C(N)=O ZINC001376854411 887962502 /nfs/dbraw/zinc/96/25/02/887962502.db2.gz VPGFDXNMRVCPJQ-RKDXNWHRSA-N 0 3 297.315 -1.236 20 0 CAADHN C[C@@]1(C(=O)N2CCO[C@H](CNCC(N)=O)C2)CCC(=O)N1 ZINC001376844832 887962619 /nfs/dbraw/zinc/96/26/19/887962619.db2.gz PVHKPRWSMKPUNJ-RNCFNFMXSA-N 0 3 298.343 -2.043 20 0 CAADHN Cc1c[nH]c(C(=O)N2CCO[C@H](CNCC(N)=O)C2)n1 ZINC001376849315 887962635 /nfs/dbraw/zinc/96/26/35/887962635.db2.gz XYKGNLBXJCAUNE-SECBINFHSA-N 0 3 281.316 -1.366 20 0 CAADHN CN1C[C@@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)NC1=O ZINC001376864818 887962762 /nfs/dbraw/zinc/96/27/62/887962762.db2.gz IXXWTHGGUODFFV-IUCAKERBSA-N 0 3 299.331 -2.688 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001376858982 887962806 /nfs/dbraw/zinc/96/28/06/887962806.db2.gz YAPYRMOQGIUUJV-RYUDHWBXSA-N 0 3 299.371 -1.072 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)NCC(=O)N(C)C ZINC001376866563 887962853 /nfs/dbraw/zinc/96/28/53/887962853.db2.gz QQCGZNKTWHARTI-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001376858973 887962889 /nfs/dbraw/zinc/96/28/89/887962889.db2.gz YAPYRMOQGIUUJV-NWDGAFQWSA-N 0 3 299.371 -1.072 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)NCC(=O)N(C)C ZINC001376870261 887963087 /nfs/dbraw/zinc/96/30/87/887963087.db2.gz VTIOWQHEDBKIJJ-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCO1 ZINC001376851368 887963107 /nfs/dbraw/zinc/96/31/07/887963107.db2.gz UCGLRWRNTARFHU-UWVGGRQHSA-N 0 3 298.343 -2.185 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001376862288 887963141 /nfs/dbraw/zinc/96/31/41/887963141.db2.gz FXBICHKHFKJEAF-HTQZYQBOSA-N 0 3 295.343 -1.044 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@]2(F)CCOC2)CCO1 ZINC001376867583 887963386 /nfs/dbraw/zinc/96/33/86/887963386.db2.gz NAEWJIOQRXKYRT-BXKDBHETSA-N 0 3 289.307 -1.583 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CS(=O)(=O)NC)C(N)=O ZINC001376870342 887964278 /nfs/dbraw/zinc/96/42/78/887964278.db2.gz RPVDJPNBRXGUDP-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)CN1CCOCC1)NCC(N)=O ZINC001376861336 887963540 /nfs/dbraw/zinc/96/35/40/887963540.db2.gz CVKJRAFTSHZUIB-GHMZBOCLSA-N 0 3 286.376 -1.466 20 0 CAADHN Cc1c(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)nnn1C ZINC001376850012 887963674 /nfs/dbraw/zinc/96/36/74/887963674.db2.gz DYXISWHLXAVTDL-VIFPVBQESA-N 0 3 296.331 -1.961 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N[C@H](C)C(=O)N(C)C ZINC001376869059 887964123 /nfs/dbraw/zinc/96/41/23/887964123.db2.gz VVUILYYSSTZCTR-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001376844174 887964130 /nfs/dbraw/zinc/96/41/30/887964130.db2.gz PVHVENBZKWNOPD-ZJUUUORDSA-N 0 3 296.327 -1.006 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001376843782 887964179 /nfs/dbraw/zinc/96/41/79/887964179.db2.gz UZGLVXGQVDWKRL-QMMMGPOBSA-N 0 3 283.292 -3.025 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2ccnnc2)CCO1)C(N)=O ZINC001376847561 887964204 /nfs/dbraw/zinc/96/42/04/887964204.db2.gz UNPXERZJUJIIPE-KOLCDFICSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cnnn2C)CCO1)C(N)=O ZINC001376848603 887964211 /nfs/dbraw/zinc/96/42/11/887964211.db2.gz NEJRHCMXJAAIFZ-RKDXNWHRSA-N 0 3 296.331 -1.881 20 0 CAADHN Cc1ccnn1CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001376843511 887964263 /nfs/dbraw/zinc/96/42/63/887964263.db2.gz NMWJDABSFZTAPK-NSHDSACASA-N 0 3 295.343 -1.506 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001376851388 887964284 /nfs/dbraw/zinc/96/42/84/887964284.db2.gz UDZQJYZMZZQPSG-VIFPVBQESA-N 0 3 297.319 -2.764 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001376868627 887964426 /nfs/dbraw/zinc/96/44/26/887964426.db2.gz OQLQUTGUNAMNJL-VHSXEESVSA-N 0 3 298.343 -2.091 20 0 CAADHN CN1C[C@H](C(=O)N2CCO[C@H](CNCC(N)=O)C2)CC1=O ZINC001376839597 887964451 /nfs/dbraw/zinc/96/44/51/887964451.db2.gz AFWLCJYELDVRLR-NXEZZACHSA-N 0 3 298.343 -2.233 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)NCC(=O)N(C)C ZINC001376866612 887964499 /nfs/dbraw/zinc/96/44/99/887964499.db2.gz QQCGZNKTWHARTI-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CCO1 ZINC001376851370 887964535 /nfs/dbraw/zinc/96/45/35/887964535.db2.gz UCGLRWRNTARFHU-VHSXEESVSA-N 0 3 298.343 -2.185 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CS(=O)(=O)NC ZINC001376874547 887965790 /nfs/dbraw/zinc/96/57/90/887965790.db2.gz YJUIFRWVQVTEIJ-YUMQZZPRSA-N 0 3 294.377 -2.236 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC001376896475 887965837 /nfs/dbraw/zinc/96/58/37/887965837.db2.gz OBYRAOQGDMTEHK-UWVGGRQHSA-N 0 3 298.343 -1.059 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)c2cn[nH]n2)C1)NC1CC1 ZINC001376911032 887966055 /nfs/dbraw/zinc/96/60/55/887966055.db2.gz NIPPBFXOCZNRCE-VIFPVBQESA-N 0 3 278.316 -1.113 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cccc(C(N)=O)n1 ZINC001376884749 887966489 /nfs/dbraw/zinc/96/64/89/887966489.db2.gz KVKRYXQVCBEYFU-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cn1ccnc1)C(=O)NC(N)=O ZINC001376887674 887966644 /nfs/dbraw/zinc/96/66/44/887966644.db2.gz QXYLNADHJHUJMG-DTWKUNHWSA-N 0 3 296.331 -1.439 20 0 CAADHN COc1ncnc(OC)c1C(=O)NC[C@@H](C)NCC(N)=O ZINC001376917501 887966731 /nfs/dbraw/zinc/96/67/31/887966731.db2.gz CVQMOQXRCGJKOF-SSDOTTSWSA-N 0 3 297.315 -1.313 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001376874519 887966794 /nfs/dbraw/zinc/96/67/94/887966794.db2.gz YJUIFRWVQVTEIJ-HTQZYQBOSA-N 0 3 294.377 -2.236 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001376898505 887966919 /nfs/dbraw/zinc/96/69/19/887966919.db2.gz PHKDGUIBPZJWBD-BXKDBHETSA-N 0 3 296.371 -1.210 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cnco2)C1 ZINC001376907701 887966956 /nfs/dbraw/zinc/96/69/56/887966956.db2.gz FJQAOXLWJBQNEO-ZETCQYMHSA-N 0 3 281.272 -1.326 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001376898792 887967253 /nfs/dbraw/zinc/96/72/53/887967253.db2.gz MFYUYQMMCQDCDA-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)NCC(=O)N(C)C ZINC001376883084 887967295 /nfs/dbraw/zinc/96/72/95/887967295.db2.gz IATMKGQPAHAKQK-SECBINFHSA-N 0 3 297.359 -1.480 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001376894924 887967603 /nfs/dbraw/zinc/96/76/03/887967603.db2.gz HUAWEOWYHIRKFW-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001376917852 887967692 /nfs/dbraw/zinc/96/76/92/887967692.db2.gz JHGHPONTLWSJFA-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ccn(C)n1 ZINC001376878403 887967844 /nfs/dbraw/zinc/96/78/44/887967844.db2.gz ISMRLTKLIVOXRT-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001376898524 887967919 /nfs/dbraw/zinc/96/79/19/887967919.db2.gz PRSVBCSMZPYJRV-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001376899346 887967955 /nfs/dbraw/zinc/96/79/55/887967955.db2.gz SNQOHHRFCQREBN-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NCC(=O)N(C)C ZINC001376883086 887968042 /nfs/dbraw/zinc/96/80/42/887968042.db2.gz IATMKGQPAHAKQK-VIFPVBQESA-N 0 3 297.359 -1.480 20 0 CAADHN CCNC(=O)CCCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001376923459 887970446 /nfs/dbraw/zinc/97/04/46/887970446.db2.gz XBRZRLDHLVXZTF-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H](C)NC(C)=O ZINC001377117156 887976461 /nfs/dbraw/zinc/97/64/61/887976461.db2.gz SOOKQVYTFWNDLL-KOLCDFICSA-N 0 3 275.349 -1.434 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H]1COCCO1 ZINC001377125487 887976601 /nfs/dbraw/zinc/97/66/01/887976601.db2.gz CRIOBBXHWDURIU-MNOVXSKESA-N 0 3 276.333 -1.543 20 0 CAADHN C[C@H](CCNC(=O)Cc1nnc[n-]1)[NH2+]CC(=O)N(C)C ZINC001377090778 887976929 /nfs/dbraw/zinc/97/69/29/887976929.db2.gz GWTUKICENNPMKY-SECBINFHSA-N 0 3 282.348 -1.080 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1COC(=O)N1 ZINC001377145683 887978077 /nfs/dbraw/zinc/97/80/77/887978077.db2.gz QIPCKSAXVNJOGY-DTWKUNHWSA-N 0 3 275.305 -1.850 20 0 CAADHN CN(CCNC(=O)Cn1ncnn1)CCc1ccnn1C ZINC001377154742 887979317 /nfs/dbraw/zinc/97/93/17/887979317.db2.gz RBCJFWLPORPLIS-UHFFFAOYSA-N 0 3 292.347 -1.303 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC001377179335 887981231 /nfs/dbraw/zinc/98/12/31/887981231.db2.gz FSGYNJWYZMLIIF-LLVKDONJSA-N 0 3 286.376 -1.811 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001377219143 887981619 /nfs/dbraw/zinc/98/16/19/887981619.db2.gz FQPCTNAZULUYEA-AEJSXWLSSA-N 0 3 297.359 -1.488 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCN(C)CC(=O)NC(N)=O)C1 ZINC001377222689 887981873 /nfs/dbraw/zinc/98/18/73/887981873.db2.gz NLSZWDOFEIICLZ-JTQLQIEISA-N 0 3 299.375 -1.429 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001377219151 887983376 /nfs/dbraw/zinc/98/33/76/887983376.db2.gz FQPCTNAZULUYEA-IVZWLZJFSA-N 0 3 297.359 -1.488 20 0 CAADHN CN(CCNC(=O)c1cnon1)C[C@@H](O)Cn1cccn1 ZINC001377233429 887985351 /nfs/dbraw/zinc/98/53/51/887985351.db2.gz CQNVYUFISZKSBB-SNVBAGLBSA-N 0 3 294.315 -1.011 20 0 CAADHN CN(CCCO)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001377270792 887985474 /nfs/dbraw/zinc/98/54/74/887985474.db2.gz GPKKKJCHRSPEFB-UHFFFAOYSA-N 0 3 284.320 -2.193 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001377250933 887985910 /nfs/dbraw/zinc/98/59/10/887985910.db2.gz YGHBUKJQCVQBOD-SECBINFHSA-N 0 3 286.332 -1.643 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCCF)C1 ZINC001377274857 887986003 /nfs/dbraw/zinc/98/60/03/887986003.db2.gz LKECOFLQNNDHJD-BDAKNGLRSA-N 0 3 296.368 -1.554 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CN1CCC(=O)NC1=O ZINC001377251312 887986181 /nfs/dbraw/zinc/98/61/81/887986181.db2.gz YGHBUKJQCVQBOD-VIFPVBQESA-N 0 3 286.332 -1.643 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)Cn1ccnc1 ZINC001377273483 887986575 /nfs/dbraw/zinc/98/65/75/887986575.db2.gz GBDRDSXAEIEAFH-NSHDSACASA-N 0 3 270.333 -1.062 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1C ZINC001377257735 887986715 /nfs/dbraw/zinc/98/67/15/887986715.db2.gz GJQLFNMWMGZZHJ-QWRGUYRKSA-N 0 3 294.359 -1.149 20 0 CAADHN COCCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC(N)=O)C1 ZINC001377258345 887988133 /nfs/dbraw/zinc/98/81/33/887988133.db2.gz XHPVUQLKALBQFS-BDAKNGLRSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC(=O)N(C)C ZINC001377255475 887988292 /nfs/dbraw/zinc/98/82/92/887988292.db2.gz ARNBUWLAQCAREL-VHSXEESVSA-N 0 3 294.359 -1.047 20 0 CAADHN CCN(CCNC(=O)[C@@H]1CNC(=O)N1)CCn1cncn1 ZINC001377342470 887990255 /nfs/dbraw/zinc/99/02/55/887990255.db2.gz PYNBVKVFLDLYPY-JTQLQIEISA-N 0 3 295.347 -1.602 20 0 CAADHN CCN(CCNC(=O)[C@H]1CNC(=O)N1)CCn1cncn1 ZINC001377342474 887990667 /nfs/dbraw/zinc/99/06/67/887990667.db2.gz PYNBVKVFLDLYPY-SNVBAGLBSA-N 0 3 295.347 -1.602 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)C2CCOCC2)CC1 ZINC001377329133 887990760 /nfs/dbraw/zinc/99/07/60/887990760.db2.gz VCFRSIKQTWLTCX-UHFFFAOYSA-N 0 3 299.371 -1.159 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C ZINC001377279798 887990785 /nfs/dbraw/zinc/99/07/85/887990785.db2.gz PYEBJQTXUDTUIH-JGVFFNPUSA-N 0 3 281.320 -1.994 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C ZINC001377288924 887991186 /nfs/dbraw/zinc/99/11/86/887991186.db2.gz RSASTJRPTDCFFH-IUCAKERBSA-N 0 3 285.348 -1.773 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1C ZINC001377279815 887991473 /nfs/dbraw/zinc/99/14/73/887991473.db2.gz PYEBJQTXUDTUIH-YUMQZZPRSA-N 0 3 281.320 -1.994 20 0 CAADHN CC(=O)N1CCC(O)(CNCC(=O)N2CCOCC2)CC1 ZINC001377325146 887991916 /nfs/dbraw/zinc/99/19/16/887991916.db2.gz KDVQMPMFYHNKHV-UHFFFAOYSA-N 0 3 299.371 -1.192 20 0 CAADHN Cc1nn(CC(=O)NC[C@H]2CCCN2CCO)c(=O)n1C ZINC001377412854 887993721 /nfs/dbraw/zinc/99/37/21/887993721.db2.gz HZENFWJWOFQIAZ-LLVKDONJSA-N 0 3 297.359 -1.537 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001377357734 887994461 /nfs/dbraw/zinc/99/44/61/887994461.db2.gz XDYSLERMSPHURQ-UHFFFAOYSA-N 0 3 295.343 -1.619 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC001377382937 887994487 /nfs/dbraw/zinc/99/44/87/887994487.db2.gz WNLIFQOFFUEDQV-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN Cn1cc(C(=O)N2CCC(O)(CNCC(N)=O)CC2)nn1 ZINC001377346201 887995297 /nfs/dbraw/zinc/99/52/97/887995297.db2.gz MNRVPVFFFNTWPU-UHFFFAOYSA-N 0 3 296.331 -2.143 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001377468222 887996782 /nfs/dbraw/zinc/99/67/82/887996782.db2.gz MATTVBKWLGAPHG-DTWKUNHWSA-N 0 3 280.332 -1.341 20 0 CAADHN CCCN(CCNC(=O)Cc1n[nH]c(C)n1)CC(N)=O ZINC001377473223 887996871 /nfs/dbraw/zinc/99/68/71/887996871.db2.gz ARVGIVANRMIOBD-UHFFFAOYSA-N 0 3 282.348 -1.031 20 0 CAADHN Cc1nc(CC(=O)NC[C@@H]2CCN(CC(N)=O)C2)n[nH]1 ZINC001377448188 887997226 /nfs/dbraw/zinc/99/72/26/887997226.db2.gz ZFDVWFQQJPISHK-VIFPVBQESA-N 0 3 280.332 -1.421 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001377468340 887997318 /nfs/dbraw/zinc/99/73/18/887997318.db2.gz MATTVBKWLGAPHG-RKDXNWHRSA-N 0 3 280.332 -1.341 20 0 CAADHN Cc1nc(CC(=O)NC[C@H]2CCN(CC(N)=O)C2)n[nH]1 ZINC001377448185 887998549 /nfs/dbraw/zinc/99/85/49/887998549.db2.gz ZFDVWFQQJPISHK-SECBINFHSA-N 0 3 280.332 -1.421 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001377571181 888000856 /nfs/dbraw/zinc/00/08/56/888000856.db2.gz IIJIYOQXJLYHHT-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)CCOC ZINC001377568878 888001055 /nfs/dbraw/zinc/00/10/55/888001055.db2.gz BLSXRXHVJIQZEP-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccon1)C(=O)NC(N)=O ZINC001377569460 888001081 /nfs/dbraw/zinc/00/10/81/888001081.db2.gz GHVKMBMYEVMXEV-ZETCQYMHSA-N 0 3 283.288 -1.080 20 0 CAADHN COC[C@H](O)CN(CCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001377568974 888001580 /nfs/dbraw/zinc/00/15/80/888001580.db2.gz YSIPTPFPCJZMHS-NEPJUHHUSA-N 0 3 299.371 -1.147 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001377568028 888002561 /nfs/dbraw/zinc/00/25/61/888002561.db2.gz DGDSFJNNQFPCLP-LLVKDONJSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@H](NCCN(C)C(=O)Cc1nnc(C)[nH]1)C(N)=O ZINC001377581103 888003666 /nfs/dbraw/zinc/00/36/66/888003666.db2.gz VDPAFEMEGJYXIL-VIFPVBQESA-N 0 3 282.348 -1.032 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001377578570 888003715 /nfs/dbraw/zinc/00/37/15/888003715.db2.gz OKIPORMEOYPWSI-JGVFFNPUSA-N 0 3 271.321 -2.020 20 0 CAADHN COc1c(C(=O)N(C)CCN[C@@H](C)C(N)=O)cnn1C ZINC001377592769 888003738 /nfs/dbraw/zinc/00/37/38/888003738.db2.gz WFZCIVNPRJRUAL-QMMMGPOBSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1nnn(C)n1)C(=O)NC1CC1 ZINC001377579017 888003926 /nfs/dbraw/zinc/00/39/26/888003926.db2.gz IPEABCFDBABQHQ-MRVPVSSYSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001377597111 888003950 /nfs/dbraw/zinc/00/39/50/888003950.db2.gz VTTJSYLAOQJRPL-YUMQZZPRSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cccn2nnnc12)C(N)=O ZINC001377577374 888003974 /nfs/dbraw/zinc/00/39/74/888003974.db2.gz KAJTUJMWAJUPDS-MRVPVSSYSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cccn2nnnc12)C(N)=O ZINC001377577379 888004133 /nfs/dbraw/zinc/00/41/33/888004133.db2.gz KAJTUJMWAJUPDS-QMMMGPOBSA-N 0 3 291.315 -1.340 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cn(C)c(=O)n1C ZINC001377600795 888004293 /nfs/dbraw/zinc/00/42/93/888004293.db2.gz MKFUEHLNOKSGAR-SECBINFHSA-N 0 3 295.343 -1.726 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccc(C(N)=O)nc1)C(N)=O ZINC001377607655 888004578 /nfs/dbraw/zinc/00/45/78/888004578.db2.gz ZHWNNHCOCLUFTP-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)Cn1ccccc1=O ZINC001377593519 888004605 /nfs/dbraw/zinc/00/46/05/888004605.db2.gz BLCFGDJFSSQXKA-LLVKDONJSA-N 0 3 292.339 -1.215 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN1CCNC(=O)C1)C(N)=O ZINC001377583318 888004764 /nfs/dbraw/zinc/00/47/64/888004764.db2.gz XWSMXZSXGPMFAY-VIFPVBQESA-N 0 3 285.348 -2.660 20 0 CAADHN CNC(=O)NCCC(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001377581387 888004889 /nfs/dbraw/zinc/00/48/89/888004889.db2.gz WGBMVXAKAVMUKL-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001377589207 888005057 /nfs/dbraw/zinc/00/50/57/888005057.db2.gz HTMBMFDBUPSNEI-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccn2nnnc2c1)C(N)=O ZINC001377594179 888005102 /nfs/dbraw/zinc/00/51/02/888005102.db2.gz XNZNFRPTKPATFE-MRVPVSSYSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001377576254 888005140 /nfs/dbraw/zinc/00/51/40/888005140.db2.gz BITSVDWYTSWAAT-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN1CCC(=O)NC1=O)C(N)=O ZINC001377590771 888005192 /nfs/dbraw/zinc/00/51/92/888005192.db2.gz FJJKULYWANQMFF-MRVPVSSYSA-N 0 3 299.331 -2.150 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@H](CC)C(N)=O ZINC001377587928 888005234 /nfs/dbraw/zinc/00/52/34/888005234.db2.gz LEERIDCABNZMRG-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001377595304 888005346 /nfs/dbraw/zinc/00/53/46/888005346.db2.gz XSGDPDLHOSFHKN-VHSXEESVSA-N 0 3 283.328 -1.124 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CNC(=O)OC ZINC001377579659 888005370 /nfs/dbraw/zinc/00/53/70/888005370.db2.gz XPRGHPVBMBRMTF-QMMMGPOBSA-N 0 3 274.321 -1.475 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@]1(C)CCC(=O)NC1)C(N)=O ZINC001377581533 888005472 /nfs/dbraw/zinc/00/54/72/888005472.db2.gz ONVSPLSBJJQENX-TVQRCGJNSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CC(=O)N(C)CCN[C@H]1CCNC1=O)NC(N)=O ZINC001377579823 888005549 /nfs/dbraw/zinc/00/55/49/888005549.db2.gz RLGUPBJMOIOVQE-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001377582975 888005584 /nfs/dbraw/zinc/00/55/84/888005584.db2.gz VTUBFACRJQETPT-SFYZADRCSA-N 0 3 271.321 -2.068 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cnco1)C(=O)NC(N)=O ZINC001377594020 888005645 /nfs/dbraw/zinc/00/56/45/888005645.db2.gz WUVBYSVAOZGFMR-ZETCQYMHSA-N 0 3 283.288 -1.080 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1COC(=O)C1 ZINC001377595278 888005720 /nfs/dbraw/zinc/00/57/20/888005720.db2.gz XSGDPDLHOSFHKN-NXEZZACHSA-N 0 3 283.328 -1.124 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)c1nnn(C)n1 ZINC001377576153 888005895 /nfs/dbraw/zinc/00/58/95/888005895.db2.gz ATWLSOJEJVCSDJ-VIFPVBQESA-N 0 3 295.347 -1.508 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001377576095 888006066 /nfs/dbraw/zinc/00/60/66/888006066.db2.gz AYOHMOBCIPUFIQ-MNOVXSKESA-N 0 3 299.371 -1.411 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001377573237 888006101 /nfs/dbraw/zinc/00/61/01/888006101.db2.gz QXGJQQNRMCLNKG-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@]1(C)CCC(=O)NC1)C(N)=O ZINC001377581525 888006229 /nfs/dbraw/zinc/00/62/29/888006229.db2.gz ONVSPLSBJJQENX-NOZJJQNGSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CNC(=O)N1)C(=O)N(C)C ZINC001377582872 888006254 /nfs/dbraw/zinc/00/62/54/888006254.db2.gz VJRLGFIUHQUMLA-RKDXNWHRSA-N 0 3 285.348 -1.808 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001377587099 888006449 /nfs/dbraw/zinc/00/64/49/888006449.db2.gz CQEMSPBTHLNJBG-RNCFNFMXSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@]1(C)CCC(=O)NC1)C(N)=O ZINC001377581537 888006593 /nfs/dbraw/zinc/00/65/93/888006593.db2.gz ONVSPLSBJJQENX-ZANVPECISA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cn(C)ccc1=O ZINC001377674062 888007591 /nfs/dbraw/zinc/00/75/91/888007591.db2.gz XJVROKSUGMSRPW-NSHDSACASA-N 0 3 292.339 -1.065 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cn(C)ccc1=O ZINC001377674059 888009319 /nfs/dbraw/zinc/00/93/19/888009319.db2.gz XJVROKSUGMSRPW-LLVKDONJSA-N 0 3 292.339 -1.065 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC1CC1 ZINC001377757529 888010973 /nfs/dbraw/zinc/01/09/73/888010973.db2.gz GNBKOLHLQKYOGR-BDAKNGLRSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cn(C)cn1 ZINC001377788582 888010842 /nfs/dbraw/zinc/01/08/42/888010842.db2.gz QJIRRUNWHHGDQZ-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001377800734 888011055 /nfs/dbraw/zinc/01/10/55/888011055.db2.gz IGXICKXEWJCOBQ-RQJHMYQMSA-N 0 3 277.346 -2.001 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001377755679 888011159 /nfs/dbraw/zinc/01/11/59/888011159.db2.gz MOGGHQDRUSLPFN-NXEZZACHSA-N 0 3 295.347 -1.673 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001377813258 888011265 /nfs/dbraw/zinc/01/12/65/888011265.db2.gz VLIKXMUVCBWQOD-SFYZADRCSA-N 0 3 281.316 -1.638 20 0 CAADHN C[C@@H](NC(=O)C1CS(=O)(=O)C1)[C@H](C)NCC(N)=O ZINC001377800731 888011320 /nfs/dbraw/zinc/01/13/20/888011320.db2.gz IGXICKXEWJCOBQ-NKWVEPMBSA-N 0 3 277.346 -2.001 20 0 CAADHN CCOCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC(=O)NC ZINC001377746853 888011372 /nfs/dbraw/zinc/01/13/72/888011372.db2.gz AUUPIXZZEVQIJZ-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC1CC1 ZINC001377757540 888011416 /nfs/dbraw/zinc/01/14/16/888011416.db2.gz GNBKOLHLQKYOGR-IUCAKERBSA-N 0 3 284.360 -1.116 20 0 CAADHN CCOCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC(=O)NC ZINC001377746847 888011884 /nfs/dbraw/zinc/01/18/84/888011884.db2.gz AUUPIXZZEVQIJZ-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[N@@H+](CC(N)=O)C[C@H]1CCN(C(=O)Cc2nnc[n-]2)C1 ZINC001377767043 888013337 /nfs/dbraw/zinc/01/33/37/888013337.db2.gz YFNUKSNEHOFPHV-SECBINFHSA-N 0 3 280.332 -1.387 20 0 CAADHN C[N@H+](CC(N)=O)C[C@H]1CCN(C(=O)Cc2nnc[n-]2)C1 ZINC001377767043 888013351 /nfs/dbraw/zinc/01/33/51/888013351.db2.gz YFNUKSNEHOFPHV-SECBINFHSA-N 0 3 280.332 -1.387 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc2n[nH]nc2n1 ZINC001377827690 888013429 /nfs/dbraw/zinc/01/34/29/888013429.db2.gz PXAVIVWGOQXANB-RQJHMYQMSA-N 0 3 291.315 -1.065 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CN1CCCC1=O ZINC001377773033 888013566 /nfs/dbraw/zinc/01/35/66/888013566.db2.gz UBYBPJIXSFTQKV-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCOCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC(=O)NC ZINC001377746858 888013741 /nfs/dbraw/zinc/01/37/41/888013741.db2.gz AUUPIXZZEVQIJZ-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001377755706 888013775 /nfs/dbraw/zinc/01/37/75/888013775.db2.gz MOGGHQDRUSLPFN-ZJUUUORDSA-N 0 3 295.347 -1.673 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CCn1cnnn1 ZINC001377864295 888014846 /nfs/dbraw/zinc/01/48/46/888014846.db2.gz USSQAKQOLXDMQE-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H](NCCF)[C@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001377856163 888016530 /nfs/dbraw/zinc/01/65/30/888016530.db2.gz GPXDZLWNBLYKRC-BDAKNGLRSA-N 0 3 298.384 -1.165 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001377909766 888017710 /nfs/dbraw/zinc/01/77/10/888017710.db2.gz WGLNZDMMSJIRAF-HTQZYQBOSA-N 0 3 281.316 -1.638 20 0 CAADHN C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)NCC(=O)N(C)C ZINC001377899216 888018227 /nfs/dbraw/zinc/01/82/27/888018227.db2.gz LEBQOJYSBKXGDO-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001377911273 888018619 /nfs/dbraw/zinc/01/86/19/888018619.db2.gz VTVUPJBQJDJXPI-ZJUUUORDSA-N 0 3 296.375 -1.024 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001377909770 888019393 /nfs/dbraw/zinc/01/93/93/888019393.db2.gz WGLNZDMMSJIRAF-SFYZADRCSA-N 0 3 281.316 -1.638 20 0 CAADHN CC[C@@H](C(=O)NC1CN([C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001377930985 888022075 /nfs/dbraw/zinc/02/20/75/888022075.db2.gz CLNCBVPOXYQWPX-SCZZXKLOSA-N 0 3 299.375 -1.290 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](C)NC(=O)c1nnn(C)n1)N(C)C ZINC001377912085 888022455 /nfs/dbraw/zinc/02/24/55/888022455.db2.gz YQFALPQNEDQBCL-IUCAKERBSA-N 0 3 297.363 -1.215 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)CNC(C)=O)C1 ZINC001377953100 888023156 /nfs/dbraw/zinc/02/31/56/888023156.db2.gz ABYJIELOJRHIBF-LLVKDONJSA-N 0 3 273.333 -1.822 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NCC1CN(CCCO)C1 ZINC001378002093 888023906 /nfs/dbraw/zinc/02/39/06/888023906.db2.gz UQZMCLXOACKYIO-VIFPVBQESA-N 0 3 293.389 -1.646 20 0 CAADHN CNC(=O)NCC(=O)NCC1CN([C@@H](C)COC)C1 ZINC001377975019 888024194 /nfs/dbraw/zinc/02/41/94/888024194.db2.gz MTVYDSKJNSLFHZ-VIFPVBQESA-N 0 3 272.349 -1.002 20 0 CAADHN CNC(=O)NCCC(=O)NCC1CN(C[C@H](C)O)C1 ZINC001377975838 888026196 /nfs/dbraw/zinc/02/61/96/888026196.db2.gz WTYNDSBWLOTUJX-VIFPVBQESA-N 0 3 272.349 -1.266 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001377995208 888027373 /nfs/dbraw/zinc/02/73/73/888027373.db2.gz IWQMNMTWWYBJRY-AXFHLTTASA-N 0 3 285.344 -1.837 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)CN(C)C(C)=O ZINC001378005469 888028229 /nfs/dbraw/zinc/02/82/29/888028229.db2.gz MAAKWUDMIAXMIK-CMPLNLGQSA-N 0 3 289.376 -1.092 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)c1cnnn1C ZINC001378040421 888029395 /nfs/dbraw/zinc/02/93/95/888029395.db2.gz XITNWKVXCCKMMI-VHSXEESVSA-N 0 3 285.348 -1.128 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(CCO)C1 ZINC001378070041 888033422 /nfs/dbraw/zinc/03/34/22/888033422.db2.gz KEHHXOWQVWFBRJ-QMMMGPOBSA-N 0 3 280.350 -2.777 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)c1cnnn1C ZINC001378040412 888030510 /nfs/dbraw/zinc/03/05/10/888030510.db2.gz XITNWKVXCCKMMI-UWVGGRQHSA-N 0 3 285.348 -1.128 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001378088990 888032828 /nfs/dbraw/zinc/03/28/28/888032828.db2.gz CBYUXGVXQHPKFL-WOPDTQHZSA-N 0 3 288.344 -1.400 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001378111473 888035640 /nfs/dbraw/zinc/03/56/40/888035640.db2.gz LMUCCNHLXRRHIG-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001378065234 888036359 /nfs/dbraw/zinc/03/63/59/888036359.db2.gz AAVBQNNJIQJTAC-OUAUKWLOSA-N 0 3 287.360 -1.304 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@H]2CCN(CCO)C2)O1 ZINC001378070844 888036145 /nfs/dbraw/zinc/03/61/45/888036145.db2.gz OCDPRHQEZQESGW-TUAOUCFPSA-N 0 3 299.371 -1.018 20 0 CAADHN CN(CC(=O)N[C@H]1CCN(CCCO)C1)S(C)(=O)=O ZINC001378059102 888036223 /nfs/dbraw/zinc/03/62/23/888036223.db2.gz RTVHIZVHENFKDO-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001378119501 888037836 /nfs/dbraw/zinc/03/78/36/888037836.db2.gz IHYMWGWNNQJGDP-UTLUCORTSA-N 0 3 286.332 -2.134 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001378150081 888039537 /nfs/dbraw/zinc/03/95/37/888039537.db2.gz KBAOEWHYVAMFRO-MNOVXSKESA-N 0 3 297.359 -1.031 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001378115132 888040118 /nfs/dbraw/zinc/04/01/18/888040118.db2.gz FZSGNAIZQHEDFA-GHMZBOCLSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001378112948 888040753 /nfs/dbraw/zinc/04/07/53/888040753.db2.gz JBEDNQGJUUIXGP-NXEZZACHSA-N 0 3 272.349 -1.123 20 0 CAADHN C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)CCO ZINC001378223665 888042651 /nfs/dbraw/zinc/04/26/51/888042651.db2.gz ZYPDPMXFBYJNRR-VIFPVBQESA-N 0 3 281.378 -1.693 20 0 CAADHN CC[C@H](CNC(=O)C1CN(C(C)=O)C1)NCC(=O)NC ZINC001378238214 888042900 /nfs/dbraw/zinc/04/29/00/888042900.db2.gz UQYGVIFJFWIIIE-LLVKDONJSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(C)nn1)N[C@@H]1CCNC1=O ZINC001378244956 888044036 /nfs/dbraw/zinc/04/40/36/888044036.db2.gz FTCRAIHBKUQQBZ-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1COCCO1)NCC(=O)NC ZINC001378216923 888044760 /nfs/dbraw/zinc/04/47/60/888044760.db2.gz AAUKUADTROZWHS-NXEZZACHSA-N 0 3 273.333 -1.368 20 0 CAADHN CC[C@H](CNC(=O)c1cn(C)nn1)N[C@H]1CCNC1=O ZINC001378244949 888044780 /nfs/dbraw/zinc/04/47/80/888044780.db2.gz FTCRAIHBKUQQBZ-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](CNC(=O)CNC(C)=O)NCC(=O)N(C)C ZINC001378215255 888045348 /nfs/dbraw/zinc/04/53/48/888045348.db2.gz NYSAGFQSQKKMQE-JTQLQIEISA-N 0 3 272.349 -1.305 20 0 CAADHN CC[C@H](CNC(=O)c1ncn(C)n1)N[C@H]1CCNC1=O ZINC001378242538 888045758 /nfs/dbraw/zinc/04/57/58/888045758.db2.gz CAJIPQLEXKRVAB-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)NCC(=O)NC ZINC001378254683 888046871 /nfs/dbraw/zinc/04/68/71/888046871.db2.gz YKIAGMVHBAVMRW-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(=O)N(C)C ZINC001378292942 888047009 /nfs/dbraw/zinc/04/70/09/888047009.db2.gz QHKGBXGLZWFTND-SECBINFHSA-N 0 3 295.343 -1.044 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N(C)CC ZINC001378279224 888047384 /nfs/dbraw/zinc/04/73/84/888047384.db2.gz AHEYIAUAQNZDIC-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@H](CNC(=O)Cc1cnoc1)NCC(=O)NC(N)=O ZINC001378279032 888048095 /nfs/dbraw/zinc/04/80/95/888048095.db2.gz AWGJQXVUGWDHKN-SECBINFHSA-N 0 3 297.315 -1.104 20 0 CAADHN CC[C@H](CNC(=O)CCn1ncn(C)c1=O)NCC(N)=O ZINC001378272301 888048520 /nfs/dbraw/zinc/04/85/20/888048520.db2.gz IMGFEEMWWUZMLN-SECBINFHSA-N 0 3 298.347 -2.058 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(=O)NC ZINC001378291512 888048535 /nfs/dbraw/zinc/04/85/35/888048535.db2.gz BPJCUXSRRDCSOK-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(N)=O ZINC001378258506 888049359 /nfs/dbraw/zinc/04/93/59/888049359.db2.gz RJFFECXQLZHYLD-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@H](CNC(=O)Cn1nnnc1C(C)C)NCC(N)=O ZINC001378288702 888049443 /nfs/dbraw/zinc/04/94/43/888049443.db2.gz BJAVIYYFTUZTTK-SECBINFHSA-N 0 3 297.363 -1.234 20 0 CAADHN CC[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NCC(=O)NC ZINC001378331847 888050166 /nfs/dbraw/zinc/05/01/66/888050166.db2.gz ZRKDIOAIYIDKAJ-VIFPVBQESA-N 0 3 295.343 -1.376 20 0 CAADHN CC[C@H](CNC(=O)CCc1cnn(C)n1)NCC(N)=O ZINC001378306689 888050969 /nfs/dbraw/zinc/05/09/69/888050969.db2.gz XRGRWSKXNZOBBA-SECBINFHSA-N 0 3 282.348 -1.283 20 0 CAADHN CC[C@@H](CNC(=O)c1ccn(C)n1)NCC(=O)NC(N)=O ZINC001378339368 888051244 /nfs/dbraw/zinc/05/12/44/888051244.db2.gz JYCGLAAMGKWTAU-QMMMGPOBSA-N 0 3 296.331 -1.287 20 0 CAADHN CN1C[C@H](C(=O)NC2(CNCC(N)=O)CCCC2)CC1=O ZINC001378355025 888052131 /nfs/dbraw/zinc/05/21/31/888052131.db2.gz NUVSRTPCZYDAGZ-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN CN1C[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)CC1=O ZINC001378355021 888052389 /nfs/dbraw/zinc/05/23/89/888052389.db2.gz NUVSRTPCZYDAGZ-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN Cn1cnc(C(=O)NC2(CNCC(N)=O)CCCC2)n1 ZINC001378358020 888052944 /nfs/dbraw/zinc/05/29/44/888052944.db2.gz OVZVRRCTBQYEEK-UHFFFAOYSA-N 0 3 280.332 -1.067 20 0 CAADHN CC[C@@H](C(=O)NC1(CCO)CN(CC(N)=O)C1)N(C)C ZINC001378323843 888052996 /nfs/dbraw/zinc/05/29/96/888052996.db2.gz GTCHOAGSXTXIOM-JTQLQIEISA-N 0 3 286.376 -1.635 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CCC(=O)NC1 ZINC001378501332 888054453 /nfs/dbraw/zinc/05/44/53/888054453.db2.gz OJFMDOXLPKQYDY-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)CNC(N)=O ZINC001378464780 888054593 /nfs/dbraw/zinc/05/45/93/888054593.db2.gz HAGJMLSFHPGTQU-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001378389016 888054827 /nfs/dbraw/zinc/05/48/27/888054827.db2.gz SGOVIVWSUVPIMM-LKFCYVNXSA-N 0 3 296.371 -1.128 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)CNC(N)=O ZINC001378361673 888054899 /nfs/dbraw/zinc/05/48/99/888054899.db2.gz NJCOGIZUXKOYDS-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CCN1CC([C@@H](C)NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001378517793 888055259 /nfs/dbraw/zinc/05/52/59/888055259.db2.gz HMYUZMKELFODHA-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001378406943 888055537 /nfs/dbraw/zinc/05/55/37/888055537.db2.gz JFZXEADXCVJKFU-ZDMBXUJBSA-N 0 3 282.344 -1.532 20 0 CAADHN COC[C@H](O)CN1CC([C@@H](C)NC(=O)c2cn(C)nn2)C1 ZINC001378490960 888055759 /nfs/dbraw/zinc/05/57/59/888055759.db2.gz ADMSGIZLLLSIBC-MWLCHTKSSA-N 0 3 297.359 -1.128 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)CCn1cnnn1)C1CC1 ZINC001378409047 888055889 /nfs/dbraw/zinc/05/58/89/888055889.db2.gz DTXQYVQWGIBVQZ-LBPRGKRZSA-N 0 3 295.347 -1.577 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001378389022 888057164 /nfs/dbraw/zinc/05/71/64/888057164.db2.gz SGOVIVWSUVPIMM-OTYXRUKQSA-N 0 3 296.371 -1.128 20 0 CAADHN COC[C@H](O)CN1CC([C@@H](C)NC(=O)c2nnn(C)n2)C1 ZINC001378541962 888059075 /nfs/dbraw/zinc/05/90/75/888059075.db2.gz FZAKAEUJNWRJOZ-PSASIEDQSA-N 0 3 298.347 -1.733 20 0 CAADHN COC[C@H](O)CN1CC([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC001378541965 888060409 /nfs/dbraw/zinc/06/04/09/888060409.db2.gz FZAKAEUJNWRJOZ-WCBMZHEXSA-N 0 3 298.347 -1.733 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@@H]1CCNC1=O ZINC001378609812 888061565 /nfs/dbraw/zinc/06/15/65/888061565.db2.gz CPBNFYYGKSXTRO-DTWKUNHWSA-N 0 3 280.332 -1.422 20 0 CAADHN CCC(=O)N1CCO[C@@H]([C@H](C)NCC(=O)NC(N)=O)C1 ZINC001378742003 888065255 /nfs/dbraw/zinc/06/52/55/888065255.db2.gz DTGSNTREMSCKRE-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001378796177 888069769 /nfs/dbraw/zinc/06/97/69/888069769.db2.gz WXTUETUOVLRRRG-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN CCC(=O)N1CCO[C@@H]([C@@H](C)NCC(=O)NC(N)=O)C1 ZINC001378742008 888065025 /nfs/dbraw/zinc/06/50/25/888065025.db2.gz DTGSNTREMSCKRE-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)CC(C)(C)O)CCO1 ZINC001378768674 888070556 /nfs/dbraw/zinc/07/05/56/888070556.db2.gz PZKKKCOFKXNHAC-VHSXEESVSA-N 0 3 287.360 -1.162 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@H]1CN(CC(N)=O)CCO1 ZINC001378671458 888065385 /nfs/dbraw/zinc/06/53/85/888065385.db2.gz QQJVQGUBVLSMIB-JTQLQIEISA-N 0 3 295.343 -1.437 20 0 CAADHN O=C(CCc1cnn[nH]1)NC[C@@H]1CN(CCCO)CCO1 ZINC001378694973 888065687 /nfs/dbraw/zinc/06/56/87/888065687.db2.gz ZSLVOKYBXJKQFC-GFCCVEGCSA-N 0 3 297.359 -1.063 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)COC ZINC001378737942 888066114 /nfs/dbraw/zinc/06/61/14/888066114.db2.gz SUANRWXWVKTWET-RKDXNWHRSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCCC1 ZINC001378706554 888066512 /nfs/dbraw/zinc/06/65/12/888066512.db2.gz ABKQHOLBUDBDBL-ZJUUUORDSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001378814534 888073578 /nfs/dbraw/zinc/07/35/78/888073578.db2.gz VNLWDJJBAYHFHD-ZETCQYMHSA-N 0 3 282.300 -1.086 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@@H]1CN(CC(N)=O)CCO1 ZINC001378671461 888067388 /nfs/dbraw/zinc/06/73/88/888067388.db2.gz QQJVQGUBVLSMIB-SNVBAGLBSA-N 0 3 295.343 -1.437 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CNC(C)=O ZINC001378728730 888067409 /nfs/dbraw/zinc/06/74/09/888067409.db2.gz QBXGWEPBLCINPA-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001378772037 888068902 /nfs/dbraw/zinc/06/89/02/888068902.db2.gz YKAQFKLELQGKLD-GXSJLCMTSA-N 0 3 293.327 -1.219 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001378772319 888069004 /nfs/dbraw/zinc/06/90/04/888069004.db2.gz FZCNNPPOGYPSEI-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001378788501 888069164 /nfs/dbraw/zinc/06/91/64/888069164.db2.gz YOAYDRVCQKZRBD-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001378768715 888069470 /nfs/dbraw/zinc/06/94/70/888069470.db2.gz LPVJPTDYTPUJTJ-IUCAKERBSA-N 0 3 286.332 -1.381 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001378803234 888069505 /nfs/dbraw/zinc/06/95/05/888069505.db2.gz LNEZFSXWMNLORE-DTWKUNHWSA-N 0 3 285.348 -1.808 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001378812790 888074819 /nfs/dbraw/zinc/07/48/19/888074819.db2.gz PGIVHGVMNCRJNF-QMMMGPOBSA-N 0 3 281.316 -1.434 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@H](C)NC(C)=O ZINC001379005960 888076618 /nfs/dbraw/zinc/07/66/18/888076618.db2.gz GQAOECSYNYLNIG-CMPLNLGQSA-N 0 3 289.376 -1.092 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001378801868 888070240 /nfs/dbraw/zinc/07/02/40/888070240.db2.gz IMAJUBKYEMUSHR-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cccnn2)CCO1 ZINC001378753498 888070384 /nfs/dbraw/zinc/07/03/84/888070384.db2.gz FEXVNPNZCGJPIP-GXSJLCMTSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)c1nnn(C)n1 ZINC001378807991 888070758 /nfs/dbraw/zinc/07/07/58/888070758.db2.gz VASDVDOXJVEEJZ-RKDXNWHRSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cc1ccon1 ZINC001378756890 888070805 /nfs/dbraw/zinc/07/08/05/888070805.db2.gz QUJWXUUPTFRAGW-MRVPVSSYSA-N 0 3 297.315 -1.152 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCS(C)(=O)=O ZINC001378790295 888071301 /nfs/dbraw/zinc/07/13/01/888071301.db2.gz PPXPHBUWUASXBY-MRVPVSSYSA-N 0 3 279.362 -1.657 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@H](C)CN[C@@H](C)C(N)=O ZINC001378775815 888071143 /nfs/dbraw/zinc/07/11/43/888071143.db2.gz WNHVYTDKDQTKLQ-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CN1CCCNC1=O)C(N)=O ZINC001378802086 888071401 /nfs/dbraw/zinc/07/14/01/888071401.db2.gz UBBQIKFFAKCZFM-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cccnn2)CCO1 ZINC001378753534 888071609 /nfs/dbraw/zinc/07/16/09/888071609.db2.gz FEXVNPNZCGJPIP-MWLCHTKSSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CNC(=O)C1CC1 ZINC001378757206 888071737 /nfs/dbraw/zinc/07/17/37/888071737.db2.gz PPWVNEQPTHRBMV-RKDXNWHRSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001378756946 888071869 /nfs/dbraw/zinc/07/18/69/888071869.db2.gz QZVQAKOZAFIZOH-VHSXEESVSA-N 0 3 272.349 -1.761 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cccnn2)CCO1 ZINC001378753537 888072012 /nfs/dbraw/zinc/07/20/12/888072012.db2.gz FEXVNPNZCGJPIP-ONGXEEELSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001378796185 888072096 /nfs/dbraw/zinc/07/20/96/888072096.db2.gz WXTUETUOVLRRRG-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CNC(=O)C1CC1 ZINC001378757196 888072436 /nfs/dbraw/zinc/07/24/36/888072436.db2.gz PPWVNEQPTHRBMV-BDAKNGLRSA-N 0 3 284.360 -1.177 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001378801873 888072468 /nfs/dbraw/zinc/07/24/68/888072468.db2.gz IMAJUBKYEMUSHR-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001378832648 888073106 /nfs/dbraw/zinc/07/31/06/888073106.db2.gz SXAUWHCUGRKGQD-PSASIEDQSA-N 0 3 272.349 -1.177 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001378886377 888073134 /nfs/dbraw/zinc/07/31/34/888073134.db2.gz WXOJTVLCYLISKE-BDAKNGLRSA-N 0 3 285.348 -1.726 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CNCC(N)=O)CC(C)C ZINC001378861288 888073257 /nfs/dbraw/zinc/07/32/57/888073257.db2.gz BEWQHGIZAWJGQF-SNVBAGLBSA-N 0 3 272.349 -1.272 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)C(C)C ZINC001378952680 888073285 /nfs/dbraw/zinc/07/32/85/888073285.db2.gz BXSQPWHLKFMGDR-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN COCC(=O)N1CCC(N(C)CC(=O)NC(N)=O)CC1 ZINC001378892648 888074000 /nfs/dbraw/zinc/07/40/00/888074000.db2.gz ROJIUEDQVVEPJN-UHFFFAOYSA-N 0 3 286.332 -1.250 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001378914252 888074540 /nfs/dbraw/zinc/07/45/40/888074540.db2.gz ATWSFVJTDJKVRK-SNVBAGLBSA-N 0 3 297.359 -1.663 20 0 CAADHN CC(C)C[C@@H](CN[C@H](C)C(N)=O)NC(=O)c1nnn(C)n1 ZINC001378874590 888074615 /nfs/dbraw/zinc/07/46/15/888074615.db2.gz PVJCSXYTIMXFAH-BDAKNGLRSA-N 0 3 297.363 -1.182 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001378914237 888074919 /nfs/dbraw/zinc/07/49/19/888074919.db2.gz ATWSFVJTDJKVRK-JTQLQIEISA-N 0 3 297.359 -1.663 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001378832652 888075078 /nfs/dbraw/zinc/07/50/78/888075078.db2.gz SXAUWHCUGRKGQD-SCZZXKLOSA-N 0 3 272.349 -1.177 20 0 CAADHN CC(C)C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1nnn(C)n1 ZINC001378874592 888075351 /nfs/dbraw/zinc/07/53/51/888075351.db2.gz PVJCSXYTIMXFAH-IUCAKERBSA-N 0 3 297.363 -1.182 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001378886379 888075504 /nfs/dbraw/zinc/07/55/04/888075504.db2.gz WXOJTVLCYLISKE-IUCAKERBSA-N 0 3 285.348 -1.726 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccc(C(N)=O)nc1 ZINC001378863198 888075908 /nfs/dbraw/zinc/07/59/08/888075908.db2.gz FSADGXKGIVSDOA-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001378858332 888076282 /nfs/dbraw/zinc/07/62/82/888076282.db2.gz UVNHXFDRQSSJGM-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001379032389 888076927 /nfs/dbraw/zinc/07/69/27/888076927.db2.gz LOPRDOAKVKHZJW-VHSXEESVSA-N 0 3 290.364 -1.559 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)CN(C)C(C)=O ZINC001379021573 888077800 /nfs/dbraw/zinc/07/78/00/888077800.db2.gz FMBXUUHKAGAUMP-LBPRGKRZSA-N 0 3 289.376 -1.138 20 0 CAADHN CN(C(=O)c1c[nH]c(=O)cn1)[C@H](CNCC(N)=O)C1CC1 ZINC001379026166 888078250 /nfs/dbraw/zinc/07/82/50/888078250.db2.gz PORMXKCLIJVGRU-SNVBAGLBSA-N 0 3 293.327 -1.305 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1cncn1)N[C@@H]1CCNC1=O ZINC001379062777 888079032 /nfs/dbraw/zinc/07/90/32/888079032.db2.gz JEBMZNMVKCOEEV-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1cncn1)N[C@H]1CCNC1=O ZINC001379062790 888079114 /nfs/dbraw/zinc/07/91/14/888079114.db2.gz JEBMZNMVKCOEEV-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CCn1cnnn1)C(C)C ZINC001379010576 888079138 /nfs/dbraw/zinc/07/91/38/888079138.db2.gz OXOVNAIRBQAOLT-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN CN(C(=O)[C@H]1CCNC(=O)C1)[C@@H](CNCC(N)=O)C1CC1 ZINC001379000138 888079165 /nfs/dbraw/zinc/07/91/65/888079165.db2.gz RZBGGTMCBOWQBK-QWRGUYRKSA-N 0 3 296.371 -1.176 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)CN(C)C(C)=O ZINC001379021570 888079213 /nfs/dbraw/zinc/07/92/13/888079213.db2.gz FMBXUUHKAGAUMP-GFCCVEGCSA-N 0 3 289.376 -1.138 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)CCOC ZINC001379060000 888080052 /nfs/dbraw/zinc/08/00/52/888080052.db2.gz OURREISOLCNTLR-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001378989655 888079924 /nfs/dbraw/zinc/07/99/24/888079924.db2.gz KMEKVMJQEAWUQK-UWVGGRQHSA-N 0 3 299.375 -1.466 20 0 CAADHN CN(C(=O)[C@H]1CCNC(=O)C1)[C@H](CNCC(N)=O)C1CC1 ZINC001379000139 888079973 /nfs/dbraw/zinc/07/99/73/888079973.db2.gz RZBGGTMCBOWQBK-WDEREUQCSA-N 0 3 296.371 -1.176 20 0 CAADHN CN(C(=O)c1c[nH]c(=O)cn1)[C@@H](CNCC(N)=O)C1CC1 ZINC001379026163 888080118 /nfs/dbraw/zinc/08/01/18/888080118.db2.gz PORMXKCLIJVGRU-JTQLQIEISA-N 0 3 293.327 -1.305 20 0 CAADHN CN(CCCO)CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001379040893 888080899 /nfs/dbraw/zinc/08/08/99/888080899.db2.gz JBVTZEJOFDRVNO-UHFFFAOYSA-N 0 3 298.347 -1.850 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O)[nH]1 ZINC001379125091 888082005 /nfs/dbraw/zinc/08/20/05/888082005.db2.gz YPYWRCQFUOGGPQ-HTQZYQBOSA-N 0 3 282.348 -1.034 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1cnnn1C ZINC001379104026 888082064 /nfs/dbraw/zinc/08/20/64/888082064.db2.gz DRHZWQFPNOLMFV-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1COCCO1)NCC(=O)N(C)C ZINC001379065420 888082085 /nfs/dbraw/zinc/08/20/85/888082085.db2.gz OSXUFFFCBXABAF-QWRGUYRKSA-N 0 3 287.360 -1.074 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O)c[nH]1 ZINC001379106474 888082390 /nfs/dbraw/zinc/08/23/90/888082390.db2.gz PWGPBXCWEAVMSJ-SSDOTTSWSA-N 0 3 296.331 -1.037 20 0 CAADHN COCCN(C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001379140047 888082500 /nfs/dbraw/zinc/08/25/00/888082500.db2.gz DEFYIGTXOAMRAE-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CN1CCOCC1 ZINC001379091470 888082564 /nfs/dbraw/zinc/08/25/64/888082564.db2.gz GXDRWDPWOIDCNW-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001379085632 888083627 /nfs/dbraw/zinc/08/36/27/888083627.db2.gz WQRWLXSUUBZJFK-JTQLQIEISA-N 0 3 297.359 -1.071 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1COCCO1)NCC(=O)N(C)C ZINC001379065391 888084207 /nfs/dbraw/zinc/08/42/07/888084207.db2.gz OSXUFFFCBXABAF-GHMZBOCLSA-N 0 3 287.360 -1.074 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1ccnn1)N[C@@H](C)C(N)=O ZINC001379103654 888084728 /nfs/dbraw/zinc/08/47/28/888084728.db2.gz WKJZFDWPGKPRRI-ZJUUUORDSA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1cnnn1C ZINC001379104034 888085390 /nfs/dbraw/zinc/08/53/90/888085390.db2.gz DRHZWQFPNOLMFV-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](CN(C)C(=O)CN(C)S(C)(=O)=O)NCC(N)=O ZINC001379137604 888086171 /nfs/dbraw/zinc/08/61/71/888086171.db2.gz QITNGZWZYPQMHQ-QMMMGPOBSA-N 0 3 294.377 -2.200 20 0 CAADHN COCCN(C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001379140045 888086337 /nfs/dbraw/zinc/08/63/37/888086337.db2.gz DEFYIGTXOAMRAE-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccncc1 ZINC001379159666 888088225 /nfs/dbraw/zinc/08/82/25/888088225.db2.gz ZKOFAWYGBWSXPD-ONGXEEELSA-N 0 3 280.328 -1.104 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001379145791 888088647 /nfs/dbraw/zinc/08/86/47/888088647.db2.gz JFNLXBBTZDCNOA-NXEZZACHSA-N 0 3 295.405 -1.305 20 0 CAADHN CC(=O)NC[C@H](O)CNCc1cc(=O)n(C)c(=O)n1C ZINC001379158239 888089311 /nfs/dbraw/zinc/08/93/11/888089311.db2.gz HDPPMGILWBUSRU-SNVBAGLBSA-N 0 3 284.316 -2.329 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cncs1)C(N)=O ZINC001379162467 888089576 /nfs/dbraw/zinc/08/95/76/888089576.db2.gz BXDUXSOGXZQOHQ-RQJHMYQMSA-N 0 3 272.330 -1.303 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001379145798 888089717 /nfs/dbraw/zinc/08/97/17/888089717.db2.gz JFNLXBBTZDCNOA-ZJUUUORDSA-N 0 3 295.405 -1.305 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2ccnn2C)C1=O ZINC001379162342 888089904 /nfs/dbraw/zinc/08/99/04/888089904.db2.gz CJCFBJPAHPDECL-VHSXEESVSA-N 0 3 295.343 -1.669 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccccn1 ZINC001379156835 888090482 /nfs/dbraw/zinc/09/04/82/888090482.db2.gz UMWITNKPCFGSEM-GXSJLCMTSA-N 0 3 278.312 -1.350 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001379157929 888090747 /nfs/dbraw/zinc/09/07/47/888090747.db2.gz XIQBXUVMWNQZSV-SNVBAGLBSA-N 0 3 286.332 -2.532 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1CCOCC1)C(N)=O ZINC001379151267 888090799 /nfs/dbraw/zinc/09/07/99/888090799.db2.gz BCLYYAORMDWWMW-WCBMZHEXSA-N 0 3 273.333 -1.647 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)[C@H]2COCCO2)n[nH]1 ZINC001379162692 888090861 /nfs/dbraw/zinc/09/08/61/888090861.db2.gz FIXGXIBZNWNVPK-NXEZZACHSA-N 0 3 299.331 -1.905 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CC[C@@H]1CCCO1 ZINC001379164881 888091586 /nfs/dbraw/zinc/09/15/86/888091586.db2.gz ICXWCRZWTGUQIE-MNOVXSKESA-N 0 3 287.360 -1.242 20 0 CAADHN CCC(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC(=O)NC ZINC001379171520 888092090 /nfs/dbraw/zinc/09/20/90/888092090.db2.gz VNFSWXHUMYYDFR-JGVFFNPUSA-N 0 3 274.321 -1.693 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001379167247 888092298 /nfs/dbraw/zinc/09/22/98/888092298.db2.gz HOBALBFNMLLQHC-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN Cn1nccc1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001379168710 888093202 /nfs/dbraw/zinc/09/32/02/888093202.db2.gz OMFGAMDPFWUIQH-JTQLQIEISA-N 0 3 295.343 -1.667 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001379167242 888094318 /nfs/dbraw/zinc/09/43/18/888094318.db2.gz HOBALBFNMLLQHC-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cscn1 ZINC001379166824 888094448 /nfs/dbraw/zinc/09/44/48/888094448.db2.gz KSKKVBYBMZTJLV-YUMQZZPRSA-N 0 3 284.341 -1.288 20 0 CAADHN Cn1cccc1C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001379164955 888094583 /nfs/dbraw/zinc/09/45/83/888094583.db2.gz JVYQBOPMJKVODO-MRVPVSSYSA-N 0 3 297.315 -2.100 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001379166056 888094934 /nfs/dbraw/zinc/09/49/34/888094934.db2.gz JVAASPCTPNFQEB-LLVKDONJSA-N 0 3 297.359 -1.883 20 0 CAADHN Cn1nccc1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001379168715 888095092 /nfs/dbraw/zinc/09/50/92/888095092.db2.gz OMFGAMDPFWUIQH-SNVBAGLBSA-N 0 3 295.343 -1.667 20 0 CAADHN Cc1cnc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)cn1 ZINC001379173114 888095629 /nfs/dbraw/zinc/09/56/29/888095629.db2.gz LXEZFRJXKFGAJX-UWVGGRQHSA-N 0 3 293.327 -1.646 20 0 CAADHN CCOCC(=O)NC[C@H](O)CN[C@@H]1CCN(CC)C1=O ZINC001379180638 888095990 /nfs/dbraw/zinc/09/59/90/888095990.db2.gz TZMUBNBJHUKWCJ-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001379176452 888096247 /nfs/dbraw/zinc/09/62/47/888096247.db2.gz VVYVVUYLPJSXHE-VXNVDRBHSA-N 0 3 274.321 -2.595 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001379337778 888124857 /nfs/dbraw/zinc/12/48/57/888124857.db2.gz DALVKBSOVVPOTQ-MRVPVSSYSA-N 0 3 274.321 -1.475 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001379176446 888096644 /nfs/dbraw/zinc/09/66/44/888096644.db2.gz VVYVVUYLPJSXHE-CBAPKCEASA-N 0 3 274.321 -2.595 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001379191316 888096711 /nfs/dbraw/zinc/09/67/11/888096711.db2.gz RPPWJYWYUVLIKQ-VIFPVBQESA-N 0 3 288.348 -2.333 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)COC1CCCC1 ZINC001379174436 888096756 /nfs/dbraw/zinc/09/67/56/888096756.db2.gz QKYIVGBAUOEHHA-SNVBAGLBSA-N 0 3 287.360 -1.242 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C)[nH]1 ZINC001379189261 888097119 /nfs/dbraw/zinc/09/71/19/888097119.db2.gz NVXLPLNWCIYUOO-PSASIEDQSA-N 0 3 297.359 -1.125 20 0 CAADHN CS[C@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001379180131 888097145 /nfs/dbraw/zinc/09/71/45/888097145.db2.gz YPKRGWOFEZEQMQ-RKDXNWHRSA-N 0 3 277.390 -1.107 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)cn1 ZINC001379181027 888097207 /nfs/dbraw/zinc/09/72/07/888097207.db2.gz CORZUMNQELYZMX-NSHDSACASA-N 0 3 297.359 -1.329 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001379176448 888097513 /nfs/dbraw/zinc/09/75/13/888097513.db2.gz VVYVVUYLPJSXHE-IONNQARKSA-N 0 3 274.321 -2.595 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001379181245 888097542 /nfs/dbraw/zinc/09/75/42/888097542.db2.gz ZQHZSJXKJIWWBY-NKWVEPMBSA-N 0 3 281.334 -3.029 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1nnc[n-]1 ZINC001379185982 888097657 /nfs/dbraw/zinc/09/76/57/888097657.db2.gz ULTFWLUOFOKWDE-UWVGGRQHSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001379177405 888097886 /nfs/dbraw/zinc/09/78/86/888097886.db2.gz VGUUZPWMYGCKPX-IONNQARKSA-N 0 3 286.332 -2.547 20 0 CAADHN Cn1ncc(CNC[C@H](O)CNC(=O)[C@@H]2CCCN2C)n1 ZINC001379183208 888098098 /nfs/dbraw/zinc/09/80/98/888098098.db2.gz GRHKXXGKWUSIOU-RYUDHWBXSA-N 0 3 296.375 -1.524 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1nnc[n-]1 ZINC001379185989 888098166 /nfs/dbraw/zinc/09/81/66/888098166.db2.gz ULTFWLUOFOKWDE-VHSXEESVSA-N 0 3 294.359 -1.032 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ocnc1C ZINC001379184412 888098565 /nfs/dbraw/zinc/09/85/65/888098565.db2.gz RQLOASHXXKGCOS-QMMMGPOBSA-N 0 3 270.289 -1.591 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1nnc[n-]1 ZINC001379185997 888098877 /nfs/dbraw/zinc/09/88/77/888098877.db2.gz ULTFWLUOFOKWDE-ZJUUUORDSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001379177369 888098982 /nfs/dbraw/zinc/09/89/82/888098982.db2.gz VGUUZPWMYGCKPX-APPZFPTMSA-N 0 3 286.332 -2.547 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)c1N ZINC001379190820 888099029 /nfs/dbraw/zinc/09/90/29/888099029.db2.gz AHYQNHVVXDIINT-QMMMGPOBSA-N 0 3 298.347 -2.181 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001379191906 888099294 /nfs/dbraw/zinc/09/92/94/888099294.db2.gz USXWCJZUWKWULZ-BDAKNGLRSA-N 0 3 286.332 -2.675 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CN[C@H]1CCN(CC)C1=O ZINC001379180645 888099840 /nfs/dbraw/zinc/09/98/40/888099840.db2.gz TZMUBNBJHUKWCJ-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001379185059 888100275 /nfs/dbraw/zinc/10/02/75/888100275.db2.gz JQQFOTZGZNRYRK-YUMQZZPRSA-N 0 3 274.321 -2.547 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001379184385 888100125 /nfs/dbraw/zinc/10/01/25/888100125.db2.gz RGHKJRYRAAITHP-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cncnc1 ZINC001379199265 888101118 /nfs/dbraw/zinc/10/11/18/888101118.db2.gz SXUQVUWMXYEEOX-UWVGGRQHSA-N 0 3 279.300 -1.955 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)c2cn(C)nn2)cn1 ZINC001379198539 888101152 /nfs/dbraw/zinc/10/11/52/888101152.db2.gz NBOUPFALIGRPNQ-SNVBAGLBSA-N 0 3 293.331 -1.571 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1cc(C)on1)C(N)=O ZINC001379193494 888101208 /nfs/dbraw/zinc/10/12/08/888101208.db2.gz ZTMYUHWIHDGVPQ-QWRGUYRKSA-N 0 3 298.343 -1.144 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1ncn(C)c1=O)NCC(N)=O ZINC001379194605 888101592 /nfs/dbraw/zinc/10/15/92/888101592.db2.gz RAEDZTZZRRZUJR-SECBINFHSA-N 0 3 298.347 -2.106 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2cncnc2)C1=O ZINC001379200842 888101874 /nfs/dbraw/zinc/10/18/74/888101874.db2.gz XRDUPFPODBRQAN-QWRGUYRKSA-N 0 3 293.327 -1.612 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001379202395 888101968 /nfs/dbraw/zinc/10/19/68/888101968.db2.gz RNVZMXHTWPKOBS-VIFPVBQESA-N 0 3 272.305 -2.983 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)COC(C)(C)C ZINC001379192972 888101985 /nfs/dbraw/zinc/10/19/85/888101985.db2.gz FVQXMCYVYXOWDP-SNVBAGLBSA-N 0 3 289.376 -1.044 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001379194056 888102111 /nfs/dbraw/zinc/10/21/11/888102111.db2.gz DBEYROZIUKVGSX-BDAKNGLRSA-N 0 3 285.348 -1.808 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001379201532 888102141 /nfs/dbraw/zinc/10/21/41/888102141.db2.gz WSHKRCSSTOGPFH-GXSJLCMTSA-N 0 3 275.349 -1.842 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001379201533 888102156 /nfs/dbraw/zinc/10/21/56/888102156.db2.gz WSHKRCSSTOGPFH-MWLCHTKSSA-N 0 3 275.349 -1.842 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccnn1CC ZINC001379201878 888102281 /nfs/dbraw/zinc/10/22/81/888102281.db2.gz PVXJMUUVTDHIJZ-JTQLQIEISA-N 0 3 297.359 -1.281 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1nccn1CC)C(N)=O ZINC001379199590 888102349 /nfs/dbraw/zinc/10/23/49/888102349.db2.gz IMEUQETXYLEXPJ-ZJUUUORDSA-N 0 3 297.359 -1.153 20 0 CAADHN CCn1nccc1C(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC ZINC001379201354 888102368 /nfs/dbraw/zinc/10/23/68/888102368.db2.gz NPNFFCICJOAKBX-ZJUUUORDSA-N 0 3 297.359 -1.282 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@H](O)C(C)C ZINC001379196140 888102401 /nfs/dbraw/zinc/10/24/01/888102401.db2.gz FVHHKCDCCVWNAM-CMPLNLGQSA-N 0 3 289.376 -1.405 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2cncnc2)C1=O ZINC001379200838 888102466 /nfs/dbraw/zinc/10/24/66/888102466.db2.gz XRDUPFPODBRQAN-MNOVXSKESA-N 0 3 293.327 -1.612 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CN1CCNC(=O)C1)C(N)=O ZINC001379194882 888102508 /nfs/dbraw/zinc/10/25/08/888102508.db2.gz GRDJGSMJBSJZHT-VHSXEESVSA-N 0 3 299.375 -2.272 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)N[C@@H](C)C(N)=O ZINC001379194883 888102648 /nfs/dbraw/zinc/10/26/48/888102648.db2.gz GRDJGSMJBSJZHT-ZJUUUORDSA-N 0 3 299.375 -2.272 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@H](O)C(C)C ZINC001379196146 888103392 /nfs/dbraw/zinc/10/33/92/888103392.db2.gz FVHHKCDCCVWNAM-ZYHUDNBSSA-N 0 3 289.376 -1.405 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001379196813 888102836 /nfs/dbraw/zinc/10/28/36/888102836.db2.gz HNJJWBYRVJCFBG-ZJUUUORDSA-N 0 3 297.315 -1.905 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)COC(C)(C)C ZINC001379192968 888103309 /nfs/dbraw/zinc/10/33/09/888103309.db2.gz FVQXMCYVYXOWDP-JTQLQIEISA-N 0 3 289.376 -1.044 20 0 CAADHN Cc1nnc(CC(=O)NC[C@@H](O)CNCC(=O)N(C)C)o1 ZINC001379198685 888103329 /nfs/dbraw/zinc/10/33/29/888103329.db2.gz OJDKXIJMHPIDQW-VIFPVBQESA-N 0 3 299.331 -1.925 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1n[nH]c2c1CCC2)C(N)=O ZINC001379205796 888104294 /nfs/dbraw/zinc/10/42/94/888104294.db2.gz HXWGGWGTIABWGS-YUMQZZPRSA-N 0 3 295.343 -1.548 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1c[nH]nc1C ZINC001379218112 888104314 /nfs/dbraw/zinc/10/43/14/888104314.db2.gz JPWXNISQJWQHEH-RKDXNWHRSA-N 0 3 283.332 -1.467 20 0 CAADHN Cn1ccc(CNC[C@H](O)CNC(=O)c2cn[nH]n2)n1 ZINC001379208887 888104671 /nfs/dbraw/zinc/10/46/71/888104671.db2.gz RLVFECRUMRZIPT-VIFPVBQESA-N 0 3 279.304 -1.581 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1onc2c1CCCC2 ZINC001379219003 888104831 /nfs/dbraw/zinc/10/48/31/888104831.db2.gz JAHIRLQIBVXRKW-QMMMGPOBSA-N 0 3 296.327 -1.281 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1onc2c1CCCC2 ZINC001379219001 888104871 /nfs/dbraw/zinc/10/48/71/888104871.db2.gz JAHIRLQIBVXRKW-MRVPVSSYSA-N 0 3 296.327 -1.281 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cn(C2CCC2)nn1 ZINC001379207833 888104956 /nfs/dbraw/zinc/10/49/56/888104956.db2.gz IAEIBBOUAFQXSX-SECBINFHSA-N 0 3 296.331 -1.831 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1c(C)ncn1C ZINC001379207014 888105082 /nfs/dbraw/zinc/10/50/82/888105082.db2.gz QNDUIDXHCMVXNU-JTQLQIEISA-N 0 3 297.359 -1.455 20 0 CAADHN Cn1ncc(Cl)c1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001379204002 888105229 /nfs/dbraw/zinc/10/52/29/888105229.db2.gz ATZYLCQKBOQXAS-LURJTMIESA-N 0 3 289.723 -1.761 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001379203243 888105254 /nfs/dbraw/zinc/10/52/54/888105254.db2.gz BXXSENMGXOAZLE-NSHDSACASA-N 0 3 295.343 -1.423 20 0 CAADHN Cc1nnccc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001379210871 888105566 /nfs/dbraw/zinc/10/55/66/888105566.db2.gz AOSQRZUXBRNPAC-BDAKNGLRSA-N 0 3 281.316 -1.661 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1n[nH]c2c1CCC2)C(N)=O ZINC001379205779 888105714 /nfs/dbraw/zinc/10/57/14/888105714.db2.gz HXWGGWGTIABWGS-HTQZYQBOSA-N 0 3 295.343 -1.548 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccsn1 ZINC001379212993 888105733 /nfs/dbraw/zinc/10/57/33/888105733.db2.gz DHYCNTWZFAAYKO-YUMQZZPRSA-N 0 3 286.357 -1.042 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnco1)N1CCC1 ZINC001379212264 888105874 /nfs/dbraw/zinc/10/58/74/888105874.db2.gz BMBQBUSUOMAFBU-VIFPVBQESA-N 0 3 282.300 -1.413 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccsn1 ZINC001379212929 888105928 /nfs/dbraw/zinc/10/59/28/888105928.db2.gz DHYCNTWZFAAYKO-HTQZYQBOSA-N 0 3 286.357 -1.042 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001379207874 888105970 /nfs/dbraw/zinc/10/59/70/888105970.db2.gz IIIJMUMSSZAOMH-SDDRHHMPSA-N 0 3 292.339 -1.263 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cn(C2CCC2)nn1 ZINC001379207837 888105982 /nfs/dbraw/zinc/10/59/82/888105982.db2.gz IAEIBBOUAFQXSX-VIFPVBQESA-N 0 3 296.331 -1.831 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](O)CNCc1ccccn1 ZINC001379206094 888106022 /nfs/dbraw/zinc/10/60/22/888106022.db2.gz GGRPBQBJEGXIEE-LLVKDONJSA-N 0 3 291.315 -1.665 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1n[nH]c2c1CCC2)C(N)=O ZINC001379205791 888106066 /nfs/dbraw/zinc/10/60/66/888106066.db2.gz HXWGGWGTIABWGS-SFYZADRCSA-N 0 3 295.343 -1.548 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1n[nH]c2c1CCC2)C(N)=O ZINC001379205784 888106105 /nfs/dbraw/zinc/10/61/05/888106105.db2.gz HXWGGWGTIABWGS-JGVFFNPUSA-N 0 3 295.343 -1.548 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001379207873 888106208 /nfs/dbraw/zinc/10/62/08/888106208.db2.gz IIIJMUMSSZAOMH-GRYCIOLGSA-N 0 3 292.339 -1.263 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1csnn1 ZINC001379222995 888107500 /nfs/dbraw/zinc/10/75/00/888107500.db2.gz BZOUZYOYDLERGM-NKWVEPMBSA-N 0 3 287.345 -1.647 20 0 CAADHN COCc1ccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)o1 ZINC001379223084 888107511 /nfs/dbraw/zinc/10/75/11/888107511.db2.gz MMFUFLBUGLZBPR-BDAKNGLRSA-N 0 3 299.327 -1.020 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001379229821 888107545 /nfs/dbraw/zinc/10/75/45/888107545.db2.gz RXXMRQNIHGDEFG-YUMQZZPRSA-N 0 3 271.321 -2.150 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001379230227 888108233 /nfs/dbraw/zinc/10/82/33/888108233.db2.gz SXLJFTKQJVLNQZ-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1csnn1 ZINC001379222992 888108734 /nfs/dbraw/zinc/10/87/34/888108734.db2.gz BZOUZYOYDLERGM-BQBZGAKWSA-N 0 3 287.345 -1.647 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1coc(OC)n1 ZINC001379229264 888107918 /nfs/dbraw/zinc/10/79/18/888107918.db2.gz INZIWWPYTLONBR-SSDOTTSWSA-N 0 3 286.288 -1.891 20 0 CAADHN Cc1cc(C)n(CCC(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001379228404 888108088 /nfs/dbraw/zinc/10/80/88/888108088.db2.gz YGTDCPVRHBYUOR-LLVKDONJSA-N 0 3 297.359 -1.558 20 0 CAADHN Cc1cc(C)n(CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001379232580 888108118 /nfs/dbraw/zinc/10/81/18/888108118.db2.gz WTXMFGNGYGMAQP-QWRGUYRKSA-N 0 3 297.359 -1.560 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1occ2c1CCOC2 ZINC001379226410 888108141 /nfs/dbraw/zinc/10/81/41/888108141.db2.gz GOPWXZXGLOKVAM-VIFPVBQESA-N 0 3 297.311 -1.482 20 0 CAADHN COCc1ccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)o1 ZINC001379223086 888108292 /nfs/dbraw/zinc/10/82/92/888108292.db2.gz MMFUFLBUGLZBPR-DTWKUNHWSA-N 0 3 299.327 -1.020 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)C1CC(OC)C1 ZINC001379235566 888108585 /nfs/dbraw/zinc/10/85/85/888108585.db2.gz ZERMWXAYKJWDNG-YVNMAJEFSA-N 0 3 287.360 -1.386 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](O)CNCC(N)=O)CCNC(=O)C1 ZINC001379229690 888108846 /nfs/dbraw/zinc/10/88/46/888108846.db2.gz QRARKZXXARJDCZ-PRHODGIISA-N 0 3 286.332 -2.545 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001379232129 888108866 /nfs/dbraw/zinc/10/88/66/888108866.db2.gz NVXCFCQYZSLZTK-YUMQZZPRSA-N 0 3 295.299 -2.661 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1ccc(F)cn1)C(N)=O ZINC001379221159 888108900 /nfs/dbraw/zinc/10/89/00/888108900.db2.gz JQJUYHSASNACFH-KCJUWKMLSA-N 0 3 298.318 -1.296 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001379232128 888109020 /nfs/dbraw/zinc/10/90/20/888109020.db2.gz NVXCFCQYZSLZTK-SFYZADRCSA-N 0 3 295.299 -2.661 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N1CCC1 ZINC001379226057 888109168 /nfs/dbraw/zinc/10/91/68/888109168.db2.gz TYYOIKDABUOVEV-MXWKQRLJSA-N 0 3 296.371 -1.223 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)CC1 ZINC001379224777 888109267 /nfs/dbraw/zinc/10/92/67/888109267.db2.gz OHVYYNAEBLUVRL-MNOVXSKESA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001379229801 888109302 /nfs/dbraw/zinc/10/93/02/888109302.db2.gz RXXMRQNIHGDEFG-JGVFFNPUSA-N 0 3 271.321 -2.150 20 0 CAADHN COCc1ccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)o1 ZINC001379223089 888109323 /nfs/dbraw/zinc/10/93/23/888109323.db2.gz MMFUFLBUGLZBPR-IUCAKERBSA-N 0 3 299.327 -1.020 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001379230220 888109343 /nfs/dbraw/zinc/10/93/43/888109343.db2.gz SXLJFTKQJVLNQZ-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001379238773 888110116 /nfs/dbraw/zinc/11/01/16/888110116.db2.gz DZROZUHXNIMUOZ-QMMMGPOBSA-N 0 3 299.331 -2.106 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001379236728 888110147 /nfs/dbraw/zinc/11/01/47/888110147.db2.gz WKOVGWAUSINPST-JOYOIKCWSA-N 0 3 291.323 -1.730 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCS(C)(=O)=O)C(N)=O ZINC001379236866 888110175 /nfs/dbraw/zinc/11/01/75/888110175.db2.gz XXADHGDDIJFLNJ-HTQZYQBOSA-N 0 3 295.361 -2.638 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)Cc2cnc[nH]2)nn1 ZINC001379250104 888110993 /nfs/dbraw/zinc/11/09/93/888110993.db2.gz UWHXLKDKTAIOGO-LLVKDONJSA-N 0 3 293.331 -1.652 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001379236726 888111247 /nfs/dbraw/zinc/11/12/47/888111247.db2.gz WKOVGWAUSINPST-BXKDBHETSA-N 0 3 291.323 -1.730 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)n1 ZINC001379251947 888111271 /nfs/dbraw/zinc/11/12/71/888111271.db2.gz LERMQYLRXWCYRS-RKDXNWHRSA-N 0 3 296.331 -2.274 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)[nH]1 ZINC001379250247 888111342 /nfs/dbraw/zinc/11/13/42/888111342.db2.gz SJEYDCQNSJRZAN-VHSXEESVSA-N 0 3 295.343 -1.405 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCS(C)(=O)=O)C(N)=O ZINC001379236867 888111425 /nfs/dbraw/zinc/11/14/25/888111425.db2.gz XXADHGDDIJFLNJ-JGVFFNPUSA-N 0 3 295.361 -2.638 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)NCC(=O)NC1CC1 ZINC001379236613 888111470 /nfs/dbraw/zinc/11/14/70/888111470.db2.gz ZQOCWOXATCRDCW-WCBMZHEXSA-N 0 3 297.359 -1.617 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1ccnnc1 ZINC001379249037 888111507 /nfs/dbraw/zinc/11/15/07/888111507.db2.gz QIWQNVPHDQYJKM-WDEREUQCSA-N 0 3 293.327 -1.565 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)CNCc1cncs1 ZINC001379246208 888111514 /nfs/dbraw/zinc/11/15/14/888111514.db2.gz TZHBGHKRTRJFNY-QNSHHTMESA-N 0 3 298.368 -1.169 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1ccnnc1 ZINC001379249034 888111528 /nfs/dbraw/zinc/11/15/28/888111528.db2.gz QIWQNVPHDQYJKM-MNOVXSKESA-N 0 3 293.327 -1.565 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccn(C)c1C ZINC001379237455 888111540 /nfs/dbraw/zinc/11/15/40/888111540.db2.gz BFUNYFCSOGVYCK-SNVBAGLBSA-N 0 3 282.344 -1.240 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCS(C)(=O)=O)C(N)=O ZINC001379236868 888111666 /nfs/dbraw/zinc/11/16/66/888111666.db2.gz XXADHGDDIJFLNJ-SFYZADRCSA-N 0 3 295.361 -2.638 20 0 CAADHN O=C(NC[C@H](O)CNCc1ccccn1)[C@H]1CNC(=O)N1 ZINC001379238179 888111745 /nfs/dbraw/zinc/11/17/45/888111745.db2.gz KHUTXOZMHMIGHK-GHMZBOCLSA-N 0 3 293.327 -1.670 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001379236729 888111787 /nfs/dbraw/zinc/11/17/87/888111787.db2.gz WKOVGWAUSINPST-SKDRFNHKSA-N 0 3 291.323 -1.730 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnn(C)n1)C(=O)N(C)C ZINC001379250895 888111965 /nfs/dbraw/zinc/11/19/65/888111965.db2.gz KBEDWANRAKOCGX-IUCAKERBSA-N 0 3 298.347 -2.028 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001379243939 888112330 /nfs/dbraw/zinc/11/23/30/888112330.db2.gz TYZOYOBNKBAFPE-SFYZADRCSA-N 0 3 299.331 -2.060 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001379246246 888112380 /nfs/dbraw/zinc/11/23/80/888112380.db2.gz UCVRWSYCEHJUBO-YIZRAAEISA-N 0 3 286.332 -2.689 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001379246243 888112433 /nfs/dbraw/zinc/11/24/33/888112433.db2.gz UCVRWSYCEHJUBO-HLTSFMKQSA-N 0 3 286.332 -2.689 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)CNCc1cncs1 ZINC001379246210 888112562 /nfs/dbraw/zinc/11/25/62/888112562.db2.gz TZHBGHKRTRJFNY-SFGNSQDASA-N 0 3 298.368 -1.169 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001379254258 888113528 /nfs/dbraw/zinc/11/35/28/888113528.db2.gz OOZAOWYDPUYKBA-SNVBAGLBSA-N 0 3 283.332 -1.845 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ncccn1 ZINC001379257228 888113516 /nfs/dbraw/zinc/11/35/16/888113516.db2.gz GTOBLANNVZNVQI-DTWKUNHWSA-N 0 3 281.316 -1.709 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnon1)NCC1CC1 ZINC001379259330 888113588 /nfs/dbraw/zinc/11/35/88/888113588.db2.gz LIOJIDNIWWJOOC-VIFPVBQESA-N 0 3 297.315 -1.724 20 0 CAADHN Cn1cncc1CC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001379262514 888113641 /nfs/dbraw/zinc/11/36/41/888113641.db2.gz YREUKPHVDAFYHH-QWRGUYRKSA-N 0 3 295.343 -2.082 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1nccs1 ZINC001379255068 888113918 /nfs/dbraw/zinc/11/39/18/888113918.db2.gz GPROHYNQKZVGID-SFYZADRCSA-N 0 3 284.341 -1.288 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCC1CCOCC1 ZINC001379260553 888114134 /nfs/dbraw/zinc/11/41/34/888114134.db2.gz UUOXIEPUGZDVHH-LLVKDONJSA-N 0 3 287.360 -1.255 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnn(C)n1)C(N)=O ZINC001379258269 888114187 /nfs/dbraw/zinc/11/41/87/888114187.db2.gz WRXFABLUNQFGEQ-YUMQZZPRSA-N 0 3 284.320 -2.241 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ncccn1 ZINC001379257235 888114239 /nfs/dbraw/zinc/11/42/39/888114239.db2.gz GTOBLANNVZNVQI-RKDXNWHRSA-N 0 3 281.316 -1.709 20 0 CAADHN CCCn1cc(C(=O)NC[C@H](O)CNCC(N)=O)c(C)n1 ZINC001379261358 888114273 /nfs/dbraw/zinc/11/42/73/888114273.db2.gz QRQNOUSUKSQXTI-SNVBAGLBSA-N 0 3 297.359 -1.233 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnn(C)n1)C(N)=O ZINC001379256070 888114563 /nfs/dbraw/zinc/11/45/63/888114563.db2.gz UBMJUPWCFCGXPQ-RNFRBKRXSA-N 0 3 270.293 -2.631 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnn(C)n1)C(N)=O ZINC001379256066 888114859 /nfs/dbraw/zinc/11/48/59/888114859.db2.gz UBMJUPWCFCGXPQ-BQBZGAKWSA-N 0 3 270.293 -2.631 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c(C)o1 ZINC001379259983 888115085 /nfs/dbraw/zinc/11/50/85/888115085.db2.gz OVINONPOYNPQKD-IMTBSYHQSA-N 0 3 284.316 -1.154 20 0 CAADHN CCn1cnc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)c1 ZINC001379259625 888115123 /nfs/dbraw/zinc/11/51/23/888115123.db2.gz POWUCHNPJGIUCG-SNVBAGLBSA-N 0 3 297.359 -1.329 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c(C)n1 ZINC001379258734 888115179 /nfs/dbraw/zinc/11/51/79/888115179.db2.gz JUFNOPAOFKFCBX-WCBMZHEXSA-N 0 3 295.343 -1.352 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnon1)NCC1CC1 ZINC001379259327 888115224 /nfs/dbraw/zinc/11/52/24/888115224.db2.gz LIOJIDNIWWJOOC-SECBINFHSA-N 0 3 297.315 -1.724 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC001379262327 888115279 /nfs/dbraw/zinc/11/52/79/888115279.db2.gz WXDQJNZLHTUFIC-VIFPVBQESA-N 0 3 297.359 -1.500 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)o1 ZINC001379253755 888115451 /nfs/dbraw/zinc/11/54/51/888115451.db2.gz CVLJJHAXXGBRFM-SSDOTTSWSA-N 0 3 271.273 -1.546 20 0 CAADHN Cn1cncc1CC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001379262508 888115476 /nfs/dbraw/zinc/11/54/76/888115476.db2.gz YREUKPHVDAFYHH-GHMZBOCLSA-N 0 3 295.343 -2.082 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ncccn1)C(N)=O ZINC001379259084 888115572 /nfs/dbraw/zinc/11/55/72/888115572.db2.gz KKBGYFAUHIFSRO-RKDXNWHRSA-N 0 3 281.316 -1.579 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ncccn1)C(N)=O ZINC001379259075 888115675 /nfs/dbraw/zinc/11/56/75/888115675.db2.gz KKBGYFAUHIFSRO-DTWKUNHWSA-N 0 3 281.316 -1.579 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1nccs1 ZINC001379255064 888115858 /nfs/dbraw/zinc/11/58/58/888115858.db2.gz GPROHYNQKZVGID-JGVFFNPUSA-N 0 3 284.341 -1.288 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cncn1C ZINC001379256790 888115966 /nfs/dbraw/zinc/11/59/66/888115966.db2.gz IJAHGSHSZAXTPC-SNVBAGLBSA-N 0 3 283.332 -2.225 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001379267722 888117080 /nfs/dbraw/zinc/11/70/80/888117080.db2.gz MJWQFLVKWZXRAH-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cn1cncn1)C(N)=O ZINC001379282029 888117100 /nfs/dbraw/zinc/11/71/00/888117100.db2.gz YWZTYQXTKAXYKC-HTQZYQBOSA-N 0 3 270.293 -2.781 20 0 CAADHN CO[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1CCCC1 ZINC001379286482 888117297 /nfs/dbraw/zinc/11/72/97/888117297.db2.gz YPUPEFJSXPRVBC-CMPLNLGQSA-N 0 3 287.360 -1.256 20 0 CAADHN C[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1)C(=O)N(C)C ZINC001379264102 888117422 /nfs/dbraw/zinc/11/74/22/888117422.db2.gz PJIVZIYOIFGDHV-RKDXNWHRSA-N 0 3 298.347 -2.109 20 0 CAADHN COCc1nocc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001379268448 888118957 /nfs/dbraw/zinc/11/89/57/888118957.db2.gz XIKBDUQZZSUNFI-SSDOTTSWSA-N 0 3 286.288 -2.013 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001379275698 888117680 /nfs/dbraw/zinc/11/76/80/888117680.db2.gz IFKQUVICADDEFO-SNVBAGLBSA-N 0 3 296.327 -1.444 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1coc(CC2CC2)n1 ZINC001379265994 888117712 /nfs/dbraw/zinc/11/77/12/888117712.db2.gz JKCKTPPQNFLZPO-SECBINFHSA-N 0 3 296.327 -1.207 20 0 CAADHN CO[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)C1CCCC1 ZINC001379286518 888117800 /nfs/dbraw/zinc/11/78/00/888117800.db2.gz YPUPEFJSXPRVBC-ZYHUDNBSSA-N 0 3 287.360 -1.256 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001379283117 888117921 /nfs/dbraw/zinc/11/79/21/888117921.db2.gz GMKBOIKEFJYGPE-QWRGUYRKSA-N 0 3 295.343 -1.853 20 0 CAADHN C[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1)C(=O)N(C)C ZINC001379264092 888118477 /nfs/dbraw/zinc/11/84/77/888118477.db2.gz PJIVZIYOIFGDHV-DTWKUNHWSA-N 0 3 298.347 -2.109 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1ccc[nH]1 ZINC001379288587 888118509 /nfs/dbraw/zinc/11/85/09/888118509.db2.gz IWWBYBJLEFAPEN-GXSJLCMTSA-N 0 3 282.344 -1.242 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cn1cncn1)C(N)=O ZINC001379282044 888119145 /nfs/dbraw/zinc/11/91/45/888119145.db2.gz YWZTYQXTKAXYKC-YUMQZZPRSA-N 0 3 270.293 -2.781 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001379284848 888119252 /nfs/dbraw/zinc/11/92/52/888119252.db2.gz IQPWDYSNGAPDAC-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN CC[C@H](N[C@@H](C)CN(C)C(=O)CCn1cnnn1)C(N)=O ZINC001379272468 888119394 /nfs/dbraw/zinc/11/93/94/888119394.db2.gz VPFIEEBMCIOLAX-UWVGGRQHSA-N 0 3 297.363 -1.236 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccncn1 ZINC001379265622 888119482 /nfs/dbraw/zinc/11/94/82/888119482.db2.gz UPAJZJWPNADYBK-DTWKUNHWSA-N 0 3 279.300 -1.955 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccncn1 ZINC001379265619 888119509 /nfs/dbraw/zinc/11/95/09/888119509.db2.gz UPAJZJWPNADYBK-BDAKNGLRSA-N 0 3 279.300 -1.955 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O ZINC001379318593 888120688 /nfs/dbraw/zinc/12/06/88/888120688.db2.gz DZUVIZVTYVDASI-IUCAKERBSA-N 0 3 293.389 -1.269 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001379317471 888120799 /nfs/dbraw/zinc/12/07/99/888120799.db2.gz RZTLKJLOSMAXKO-QMMMGPOBSA-N 0 3 281.320 -1.850 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001379322535 888120856 /nfs/dbraw/zinc/12/08/56/888120856.db2.gz ZHWONWIILNKWGV-SFYZADRCSA-N 0 3 271.321 -2.020 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1COC(=O)N1 ZINC001379294732 888121082 /nfs/dbraw/zinc/12/10/82/888121082.db2.gz CSAXEWNJDCDBKP-JGVFFNPUSA-N 0 3 272.305 -1.593 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001379330465 888121093 /nfs/dbraw/zinc/12/10/93/888121093.db2.gz QLPKYGYUKCDEHM-RKDXNWHRSA-N 0 3 284.360 -1.116 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001379308413 888121172 /nfs/dbraw/zinc/12/11/72/888121172.db2.gz GXZILHPIKNIAPO-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCOC ZINC001379317121 888121274 /nfs/dbraw/zinc/12/12/74/888121274.db2.gz ADSKMRYGXTVSCZ-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1COC(=O)N1 ZINC001379294727 888121303 /nfs/dbraw/zinc/12/13/03/888121303.db2.gz CSAXEWNJDCDBKP-HTQZYQBOSA-N 0 3 272.305 -1.593 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCn1cc(C)cn1 ZINC001379298339 888121466 /nfs/dbraw/zinc/12/14/66/888121466.db2.gz VZBMTGKSQZADLC-LLVKDONJSA-N 0 3 297.359 -1.606 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CNC(=O)N1 ZINC001379322522 888121528 /nfs/dbraw/zinc/12/15/28/888121528.db2.gz ZHWONWIILNKWGV-JGVFFNPUSA-N 0 3 271.321 -2.020 20 0 CAADHN CCN1CCO[C@H](C(=O)N(C)C[C@H](C)NCC(N)=O)C1 ZINC001379326282 888121790 /nfs/dbraw/zinc/12/17/90/888121790.db2.gz UFIFWDIZFLYBJT-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)c1cnn(C)c1N ZINC001379294168 888121840 /nfs/dbraw/zinc/12/18/40/888121840.db2.gz AUKCQCGIYXMUTE-MRVPVSSYSA-N 0 3 282.348 -1.072 20 0 CAADHN O=C(Cn1ccnc1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001379291705 888121988 /nfs/dbraw/zinc/12/19/88/888121988.db2.gz MDVYWQNQNICVCL-VHSXEESVSA-N 0 3 281.316 -2.162 20 0 CAADHN O=C(Cn1ccnc1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001379291704 888122047 /nfs/dbraw/zinc/12/20/47/888122047.db2.gz MDVYWQNQNICVCL-UWVGGRQHSA-N 0 3 281.316 -2.162 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001379314311 888122119 /nfs/dbraw/zinc/12/21/19/888122119.db2.gz HGGSCHGYGVEGHS-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN Cn1nncc1CNC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001379290590 888122173 /nfs/dbraw/zinc/12/21/73/888122173.db2.gz KAWXKGLXFFVXEU-NSHDSACASA-N 0 3 293.331 -1.722 20 0 CAADHN CCN1CCO[C@H](C(=O)N(C)C[C@@H](C)NCC(N)=O)C1 ZINC001379326281 888122517 /nfs/dbraw/zinc/12/25/17/888122517.db2.gz UFIFWDIZFLYBJT-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001379308420 888122544 /nfs/dbraw/zinc/12/25/44/888122544.db2.gz GXZILHPIKNIAPO-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001379290803 888122595 /nfs/dbraw/zinc/12/25/95/888122595.db2.gz KTBISSNHNCOKQA-QMMMGPOBSA-N 0 3 299.331 -2.850 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CNC(=O)N1 ZINC001379322511 888122686 /nfs/dbraw/zinc/12/26/86/888122686.db2.gz ZHWONWIILNKWGV-HTQZYQBOSA-N 0 3 271.321 -2.020 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NCC(N)=O ZINC001379315840 888122780 /nfs/dbraw/zinc/12/27/80/888122780.db2.gz RVJUWCAHACPNKG-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001379296867 888122854 /nfs/dbraw/zinc/12/28/54/888122854.db2.gz LCWSQWFZRQCKRB-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H](C(=O)NC[C@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001379290975 888122871 /nfs/dbraw/zinc/12/28/71/888122871.db2.gz RMNZZQXYKXWUJH-WCBMZHEXSA-N 0 3 283.332 -1.924 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)c1nnn(C)n1)C(N)=O ZINC001379307077 888122992 /nfs/dbraw/zinc/12/29/92/888122992.db2.gz DLCWTFMXIIKSQH-QMMMGPOBSA-N 0 3 283.336 -1.474 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001379296865 888123049 /nfs/dbraw/zinc/12/30/49/888123049.db2.gz LCWSQWFZRQCKRB-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001379345121 888124024 /nfs/dbraw/zinc/12/40/24/888124024.db2.gz WUCXDLVTYWSZIH-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CS(C)(=O)=O ZINC001379344951 888124311 /nfs/dbraw/zinc/12/43/11/888124311.db2.gz PUQYNGPXBKRFOI-RKDXNWHRSA-N 0 3 291.373 -1.644 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CN[C@@H](CC)C(N)=O ZINC001379340899 888124579 /nfs/dbraw/zinc/12/45/79/888124579.db2.gz DOQGCRPGQVMNOZ-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN CCC(=O)NC[C@@H](CO)NC[C@H]1CCS(=O)(=O)C1 ZINC001379333485 888124840 /nfs/dbraw/zinc/12/48/40/888124840.db2.gz IUDIUEMIJDLBPD-ZJUUUORDSA-N 0 3 278.374 -1.102 20 0 CAADHN CCC(=O)NC[C@H](CO)NC[C@H]1CCS(=O)(=O)C1 ZINC001379333479 888124993 /nfs/dbraw/zinc/12/49/93/888124993.db2.gz IUDIUEMIJDLBPD-NXEZZACHSA-N 0 3 278.374 -1.102 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)C1CCC1 ZINC001379333726 888125073 /nfs/dbraw/zinc/12/50/73/888125073.db2.gz LMJGBTAASLJAOO-NSHDSACASA-N 0 3 284.360 -1.122 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)c1ccoc1 ZINC001379351510 888125102 /nfs/dbraw/zinc/12/51/02/888125102.db2.gz PVVDZMPZWAYCLD-LLVKDONJSA-N 0 3 296.327 -1.015 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)COC ZINC001379349966 888125158 /nfs/dbraw/zinc/12/51/58/888125158.db2.gz TWHIHXCQOFWOFC-DTWKUNHWSA-N 0 3 288.348 -1.181 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCCNC1=O ZINC001379338043 888125248 /nfs/dbraw/zinc/12/52/48/888125248.db2.gz FPQPXEZHDBAXPE-RKDXNWHRSA-N 0 3 286.332 -1.285 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)Cn1cccn1 ZINC001379332821 888125376 /nfs/dbraw/zinc/12/53/76/888125376.db2.gz MBDKOCAMINEEOD-SECBINFHSA-N 0 3 296.331 -1.567 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCCNC1=O ZINC001379338042 888125385 /nfs/dbraw/zinc/12/53/85/888125385.db2.gz FPQPXEZHDBAXPE-BDAKNGLRSA-N 0 3 286.332 -1.285 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H](C)COC ZINC001379349969 888125674 /nfs/dbraw/zinc/12/56/74/888125674.db2.gz TWHIHXCQOFWOFC-RKDXNWHRSA-N 0 3 288.348 -1.181 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CN[C@H](C)C(=O)N(C)C ZINC001379338280 888126128 /nfs/dbraw/zinc/12/61/28/888126128.db2.gz IKOABYGZARORDX-RKDXNWHRSA-N 0 3 288.348 -1.087 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCOC1 ZINC001379342966 888126188 /nfs/dbraw/zinc/12/61/88/888126188.db2.gz HNJPNFLOEBUJRK-HTQZYQBOSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)c1ncn(C)n1 ZINC001379359018 888127304 /nfs/dbraw/zinc/12/73/04/888127304.db2.gz FHBFSFRKVRBEOM-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CNCC(=O)NC2CC2)C1 ZINC001379357137 888128082 /nfs/dbraw/zinc/12/80/82/888128082.db2.gz VTUACDRFPKLTNG-SECBINFHSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1ncn(C)n1 ZINC001379359162 888128882 /nfs/dbraw/zinc/12/88/82/888128882.db2.gz HQWYEKXDESYHMC-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1ncn(C)n1 ZINC001379359165 888129214 /nfs/dbraw/zinc/12/92/14/888129214.db2.gz HQWYEKXDESYHMC-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)C[C@@H](C)NC(N)=O ZINC001379353196 888129425 /nfs/dbraw/zinc/12/94/25/888129425.db2.gz DAAPTEVWOAQGDF-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001379367003 888132367 /nfs/dbraw/zinc/13/23/67/888132367.db2.gz VXCVCFUUOIUXPH-HTQZYQBOSA-N 0 3 291.373 -1.740 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCCC1=O)c1cocn1 ZINC001379373698 888131095 /nfs/dbraw/zinc/13/10/95/888131095.db2.gz ZQCMVSYPJXXEEG-SNVBAGLBSA-N 0 3 296.327 -1.023 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@H]1CCC(=O)N1 ZINC001379367976 888131137 /nfs/dbraw/zinc/13/11/37/888131137.db2.gz IJAAPKVXAQOLTR-NXEZZACHSA-N 0 3 296.331 -2.377 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCCNC1=O ZINC001379372006 888131330 /nfs/dbraw/zinc/13/13/30/888131330.db2.gz MLDTVVRASSVPFN-BDAKNGLRSA-N 0 3 285.348 -1.712 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cncn1C ZINC001379389475 888133766 /nfs/dbraw/zinc/13/37/66/888133766.db2.gz PPOGRFBNUNESLE-MRVPVSSYSA-N 0 3 293.331 -1.250 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001379380323 888134451 /nfs/dbraw/zinc/13/44/51/888134451.db2.gz ICYKAPBNOQSXBK-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001379381369 888134781 /nfs/dbraw/zinc/13/47/81/888134781.db2.gz KLHACIYZBFYCMK-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1ccn(C)c(=O)c1 ZINC001379381724 888134797 /nfs/dbraw/zinc/13/47/97/888134797.db2.gz QTVQYRGXSWAEFH-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001379381600 888134815 /nfs/dbraw/zinc/13/48/15/888134815.db2.gz JAOBTQJGGBPFOW-ZJUUUORDSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1coc(C(N)=O)c1 ZINC001379401426 888136947 /nfs/dbraw/zinc/13/69/47/888136947.db2.gz ARQWZZHALJJUHX-APPZFPTMSA-N 0 3 294.311 -1.025 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@H]1CCCCO1 ZINC001379407607 888139681 /nfs/dbraw/zinc/13/96/81/888139681.db2.gz ZZSCVRSXEZVECT-VXGBXAGGSA-N 0 3 297.359 -1.086 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)c1nnn(C)n1 ZINC001379422657 888140205 /nfs/dbraw/zinc/14/02/05/888140205.db2.gz NWDRISIGIDQSMH-HTQZYQBOSA-N 0 3 281.320 -1.803 20 0 CAADHN CN(C)C(=O)CN[C@H](CO)CNC(=O)CCc1c[nH]cn1 ZINC001379407425 888140728 /nfs/dbraw/zinc/14/07/28/888140728.db2.gz BHGDXNQTNIJMKH-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN CN(C)C(=O)CN[C@H](CO)CNC(=O)CCc1cnc[nH]1 ZINC001379407425 888140731 /nfs/dbraw/zinc/14/07/31/888140731.db2.gz BHGDXNQTNIJMKH-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCNC(=O)C1 ZINC001379413227 888140737 /nfs/dbraw/zinc/14/07/37/888140737.db2.gz QCFROAOVNRSKPX-BDAKNGLRSA-N 0 3 285.348 -2.614 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCc1cnn(C)n1 ZINC001379413607 888141251 /nfs/dbraw/zinc/14/12/51/888141251.db2.gz ALALTMIMHWBFGB-MWLCHTKSSA-N 0 3 294.359 -1.270 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NCc1nnn(C)n1)N(C)C ZINC001379440872 888142419 /nfs/dbraw/zinc/14/24/19/888142419.db2.gz SXSKKYRLTTZKNJ-NXEZZACHSA-N 0 3 299.379 -1.883 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NCc1cnon1)N(C)C ZINC001379433986 888142715 /nfs/dbraw/zinc/14/27/15/888142715.db2.gz IVCJWJLNBUVMLS-GHMZBOCLSA-N 0 3 285.348 -1.024 20 0 CAADHN C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001379436896 888143061 /nfs/dbraw/zinc/14/30/61/888143061.db2.gz NJLTUAUQFQCQBQ-JGVFFNPUSA-N 0 3 270.289 -1.757 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NCc1nnn(C)n1)N(C)C ZINC001379440909 888143680 /nfs/dbraw/zinc/14/36/80/888143680.db2.gz SXSKKYRLTTZKNJ-VHSXEESVSA-N 0 3 299.379 -1.883 20 0 CAADHN CC[C@@H](N[C@H](CO)CNC(=O)Cn1cncc1C)C(N)=O ZINC001379440504 888143756 /nfs/dbraw/zinc/14/37/56/888143756.db2.gz JHLAEEZLXVQHSO-WDEREUQCSA-N 0 3 297.359 -1.478 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001379456666 888145591 /nfs/dbraw/zinc/14/55/91/888145591.db2.gz USAFRRYLWXQBDR-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001379466774 888146027 /nfs/dbraw/zinc/14/60/27/888146027.db2.gz RZWPMGUXHUQRII-SFYZADRCSA-N 0 3 294.377 -2.236 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)NC(=O)Cn2cncn2)C1=O ZINC001379460102 888146205 /nfs/dbraw/zinc/14/62/05/888146205.db2.gz YMLLNQNQSCJHLJ-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001379450795 888146865 /nfs/dbraw/zinc/14/68/65/888146865.db2.gz PRRWJZDVTPVLKY-OUAUKWLOSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)N1CCC(C(=O)N[C@H](C)CNCC(N)=O)CC1 ZINC001379457732 888147734 /nfs/dbraw/zinc/14/77/34/888147734.db2.gz HAEYBJMHLSSIPM-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)Cn1cnnn1 ZINC001379484943 888149768 /nfs/dbraw/zinc/14/97/68/888149768.db2.gz UTHLRZPWQDJKBI-IUCAKERBSA-N 0 3 295.347 -1.566 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)[C@H]1CC12CC2 ZINC001379477865 888150088 /nfs/dbraw/zinc/15/00/88/888150088.db2.gz VGQALMIYZLUELI-WDEREUQCSA-N 0 3 296.371 -1.122 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)Cn1cnnn1 ZINC001379483719 888151100 /nfs/dbraw/zinc/15/11/00/888151100.db2.gz OACXDHNOVQCQJY-VIFPVBQESA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccon1)C(=O)NC(N)=O ZINC001379496293 888152534 /nfs/dbraw/zinc/15/25/34/888152534.db2.gz VNZCGGABVBOXNP-NKWVEPMBSA-N 0 3 283.288 -1.034 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)Cc1cccnc1 ZINC001379493760 888152553 /nfs/dbraw/zinc/15/25/53/888152553.db2.gz KJESBZVQJDBPLE-VIFPVBQESA-N 0 3 293.327 -1.087 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1cn(C)nn1 ZINC001379491284 888152708 /nfs/dbraw/zinc/15/27/08/888152708.db2.gz BZTARQHWSASOBK-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001379489498 888152769 /nfs/dbraw/zinc/15/27/69/888152769.db2.gz RRVZCCQMPZSHNY-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CN1CCOCC1)C(N)=O ZINC001379494069 888153849 /nfs/dbraw/zinc/15/38/49/888153849.db2.gz WKOSMUOLCZRYAM-VHSXEESVSA-N 0 3 272.349 -1.713 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)CS(C)(=O)=O ZINC001379495724 888154259 /nfs/dbraw/zinc/15/42/59/888154259.db2.gz QDRQDKGAQCWLIV-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001379497095 888154372 /nfs/dbraw/zinc/15/43/72/888154372.db2.gz RUVCBVWYPKYCPV-DTWKUNHWSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)Cn1cnnn1 ZINC001379485262 888154395 /nfs/dbraw/zinc/15/43/95/888154395.db2.gz WWCFQKNJNJHLTR-ZETCQYMHSA-N 0 3 295.307 -2.611 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C[C@H]1CCOC1 ZINC001379498674 888154538 /nfs/dbraw/zinc/15/45/38/888154538.db2.gz WLUTWPZFFOYSIG-DTWKUNHWSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001379491275 888154645 /nfs/dbraw/zinc/15/46/45/888154645.db2.gz BVXYZUDERKQXRV-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NCc1nncn1C)N(C)C ZINC001379507156 888155779 /nfs/dbraw/zinc/15/57/79/888155779.db2.gz UOCQOKWVMBMHJI-MNOVXSKESA-N 0 3 298.391 -1.278 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NCc1nncn1C)N(C)C ZINC001379507159 888156331 /nfs/dbraw/zinc/15/63/31/888156331.db2.gz UOCQOKWVMBMHJI-WDEREUQCSA-N 0 3 298.391 -1.278 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@@H](C)NC(N)=O ZINC001379510648 888156554 /nfs/dbraw/zinc/15/65/54/888156554.db2.gz VLTRNVBCRRLEGD-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@H](C)NC(N)=O ZINC001379502385 888156638 /nfs/dbraw/zinc/15/66/38/888156638.db2.gz QWFRSJILDSQLIW-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN Cc1oncc1CN[C@@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001379510057 888156752 /nfs/dbraw/zinc/15/67/52/888156752.db2.gz RKURNQKRKIMFRE-SNVBAGLBSA-N 0 3 294.315 -1.089 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CN(C)C(=O)C1CC1 ZINC001379507312 888157085 /nfs/dbraw/zinc/15/70/85/888157085.db2.gz CTJMGFDGJNFPNI-IUCAKERBSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)CCn1ccnn1 ZINC001379503593 888157187 /nfs/dbraw/zinc/15/71/87/888157187.db2.gz XYKXXLNFDFZJOA-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CN1CC[C@@H](N[C@H](CO)CNC(=O)CN2CCCC2)C1=O ZINC001379523323 888159151 /nfs/dbraw/zinc/15/91/51/888159151.db2.gz CXMOWBMCZGEBAU-NWDGAFQWSA-N 0 3 298.387 -1.620 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CNC(=O)NC)C(N)=O ZINC001379512942 888159214 /nfs/dbraw/zinc/15/92/14/888159214.db2.gz ZQSMZDVHBBBRGF-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CNCc1cncn1C ZINC001379511996 888159551 /nfs/dbraw/zinc/15/95/51/888159551.db2.gz WFKBFEUJPHEKMI-VIFPVBQESA-N 0 3 282.348 -1.057 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCS(C)(=O)=O ZINC001379518837 888159569 /nfs/dbraw/zinc/15/95/69/888159569.db2.gz SAXSPFNESJIXEG-IUCAKERBSA-N 0 3 291.373 -1.596 20 0 CAADHN O=C(CN1CCCC1)NC[C@H](CO)NCC(=O)N1CCC1 ZINC001379526933 888159888 /nfs/dbraw/zinc/15/98/88/888159888.db2.gz LYEZLVBJAAJWCK-GFCCVEGCSA-N 0 3 298.387 -1.619 20 0 CAADHN CN1CC[C@H](N[C@@H](CO)CNC(=O)CN2CCCC2)C1=O ZINC001379523322 888160001 /nfs/dbraw/zinc/16/00/01/888160001.db2.gz CXMOWBMCZGEBAU-NEPJUHHUSA-N 0 3 298.387 -1.620 20 0 CAADHN COCc1nn(C)cc1C(=O)N[C@@H](C)CNCC(N)=O ZINC001379521497 888160324 /nfs/dbraw/zinc/16/03/24/888160324.db2.gz VKLNSJGEOABSTL-QMMMGPOBSA-N 0 3 283.332 -1.240 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC ZINC001379521932 888160748 /nfs/dbraw/zinc/16/07/48/888160748.db2.gz SZCDMDCTCPGLRG-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN CN1CC[C@H](N[C@H](CO)CNC(=O)CN2CCCC2)C1=O ZINC001379523661 888160769 /nfs/dbraw/zinc/16/07/69/888160769.db2.gz CXMOWBMCZGEBAU-RYUDHWBXSA-N 0 3 298.387 -1.620 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CCn1cnnn1 ZINC001379562597 888162744 /nfs/dbraw/zinc/16/27/44/888162744.db2.gz QVLHTAJUZPDYOU-IUCAKERBSA-N 0 3 283.336 -1.708 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CNC(C)=O)C1 ZINC001379581915 888162666 /nfs/dbraw/zinc/16/26/66/888162666.db2.gz VZKGWZQTFITNRG-PSASIEDQSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001379569444 888162685 /nfs/dbraw/zinc/16/26/85/888162685.db2.gz DKNGAYIINHVNLP-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC)[C@H]1C ZINC001379544660 888162714 /nfs/dbraw/zinc/16/27/14/888162714.db2.gz MYUBBJZYQQWENL-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001379569848 888162882 /nfs/dbraw/zinc/16/28/82/888162882.db2.gz KZAZXCHCTBDANU-ZETCQYMHSA-N 0 3 281.316 -1.433 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001379565468 888163015 /nfs/dbraw/zinc/16/30/15/888163015.db2.gz MFIFFXFOTALQDO-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)Cn1cnnn1 ZINC001379546393 888163340 /nfs/dbraw/zinc/16/33/40/888163340.db2.gz OWMPVHOITQSMFN-ZJUUUORDSA-N 0 3 295.347 -1.660 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCCn1cncn1 ZINC001379582611 888163359 /nfs/dbraw/zinc/16/33/59/888163359.db2.gz VOHZWJWRZGPAMD-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001379569457 888163499 /nfs/dbraw/zinc/16/34/99/888163499.db2.gz DKNGAYIINHVNLP-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N(C)C ZINC001379579331 888163528 /nfs/dbraw/zinc/16/35/28/888163528.db2.gz JVAANSSHKCZPSX-AEJSXWLSSA-N 0 3 284.360 -1.164 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001379544822 888163568 /nfs/dbraw/zinc/16/35/68/888163568.db2.gz NBUJVWKMDWTCIO-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)Cn2cncn2)C1 ZINC001379580360 888163775 /nfs/dbraw/zinc/16/37/75/888163775.db2.gz BFKJHOAXXVIESP-NXEZZACHSA-N 0 3 280.332 -1.397 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2cnn(C)c2N)C1 ZINC001379580687 888163816 /nfs/dbraw/zinc/16/38/16/888163816.db2.gz LUEJPDBNWKMMRS-BDAKNGLRSA-N 0 3 294.359 -1.059 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCCC(N)=O ZINC001379583066 888163835 /nfs/dbraw/zinc/16/38/35/888163835.db2.gz GGEWDWMQKREYJC-RKDXNWHRSA-N 0 3 270.333 -1.294 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1c[nH]nc1C ZINC001379533075 888163935 /nfs/dbraw/zinc/16/39/35/888163935.db2.gz APJZTBSJMBVUOT-ZETCQYMHSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ccncn1 ZINC001379565146 888164049 /nfs/dbraw/zinc/16/40/49/888164049.db2.gz DGUBISMTQBANHF-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCN1CCOCC1 ZINC001379559998 888164091 /nfs/dbraw/zinc/16/40/91/888164091.db2.gz KNTDWOKSWQUYPF-JTQLQIEISA-N 0 3 272.349 -1.712 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CCc1cnn(C)n1 ZINC001379555085 888164244 /nfs/dbraw/zinc/16/42/44/888164244.db2.gz XHUNEGMELSQTCP-JTQLQIEISA-N 0 3 296.375 -1.070 20 0 CAADHN C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001379580916 888164267 /nfs/dbraw/zinc/16/42/67/888164267.db2.gz SSCWCLOZSYUCBT-DCAQKATOSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1C ZINC001379557436 888164697 /nfs/dbraw/zinc/16/46/97/888164697.db2.gz UUNRJCHJQVBMMY-DTWKUNHWSA-N 0 3 293.327 -1.292 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CNC(=O)C1CC1 ZINC001379575634 888164768 /nfs/dbraw/zinc/16/47/68/888164768.db2.gz FPCXPINIEIVMJP-SCZZXKLOSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001379578329 888164917 /nfs/dbraw/zinc/16/49/17/888164917.db2.gz DIAGFDQZBRQNGQ-YUMQZZPRSA-N 0 3 296.331 -2.019 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001379569463 888164931 /nfs/dbraw/zinc/16/49/31/888164931.db2.gz DKNGAYIINHVNLP-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C2CN(C(C)=O)C2)C1 ZINC001379588427 888164957 /nfs/dbraw/zinc/16/49/57/888164957.db2.gz VRLNLIGNRWKAIO-SKDRFNHKSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001379569452 888165056 /nfs/dbraw/zinc/16/50/56/888165056.db2.gz DKNGAYIINHVNLP-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001379579335 888165094 /nfs/dbraw/zinc/16/50/94/888165094.db2.gz JVAANSSHKCZPSX-GUBZILKMSA-N 0 3 284.360 -1.164 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2cnn(C)c2N)C1 ZINC001379580697 888165246 /nfs/dbraw/zinc/16/52/46/888165246.db2.gz LUEJPDBNWKMMRS-RKDXNWHRSA-N 0 3 294.359 -1.059 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CNC(C)=O)C1 ZINC001379581938 888165322 /nfs/dbraw/zinc/16/53/22/888165322.db2.gz VZKGWZQTFITNRG-WPRPVWTQSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CNC(=O)c1ccccn1 ZINC001379597144 888166126 /nfs/dbraw/zinc/16/61/26/888166126.db2.gz VALHTOKEQRZBKI-VIFPVBQESA-N 0 3 293.327 -1.609 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CNC(=O)OC)C1 ZINC001379589460 888166480 /nfs/dbraw/zinc/16/64/80/888166480.db2.gz WPWDQYXLJJJJAK-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1ccc(=O)n(C)n1 ZINC001379595944 888167115 /nfs/dbraw/zinc/16/71/15/888167115.db2.gz LVRJPIYITABFLJ-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCc1cn(C)nn1 ZINC001379597997 888167388 /nfs/dbraw/zinc/16/73/88/888167388.db2.gz KWSBJVRXIRIDBK-GXSJLCMTSA-N 0 3 294.359 -1.270 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1noc2c1COCC2 ZINC001379590012 888167577 /nfs/dbraw/zinc/16/75/77/888167577.db2.gz ACNWRODXXPLIQN-ZETCQYMHSA-N 0 3 282.300 -1.060 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ccn(C)n1 ZINC001379599417 888167670 /nfs/dbraw/zinc/16/76/70/888167670.db2.gz MLEVWOMBTQUWAB-QMMMGPOBSA-N 0 3 293.331 -1.250 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CCNC(N)=O)C(N)=O ZINC001379594477 888167681 /nfs/dbraw/zinc/16/76/81/888167681.db2.gz FUJRBMBFRUIIPF-YUMQZZPRSA-N 0 3 273.337 -1.597 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)CN1CCOCC1=O ZINC001379677663 888167780 /nfs/dbraw/zinc/16/77/80/888167780.db2.gz JEPNIAXWTXVFBM-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN(C)C[C@H](O)COC ZINC001379691887 888167924 /nfs/dbraw/zinc/16/79/24/888167924.db2.gz SRPYEPTXDXLQQO-UWVGGRQHSA-N 0 3 290.364 -1.641 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001379603443 888168111 /nfs/dbraw/zinc/16/81/11/888168111.db2.gz PWJYWHXASQZVGV-IUCAKERBSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCc1cn(C)nn1 ZINC001379598004 888168373 /nfs/dbraw/zinc/16/83/73/888168373.db2.gz KWSBJVRXIRIDBK-ONGXEEELSA-N 0 3 294.359 -1.270 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CCNC(N)=O)C(N)=O ZINC001379594472 888168458 /nfs/dbraw/zinc/16/84/58/888168458.db2.gz FUJRBMBFRUIIPF-JGVFFNPUSA-N 0 3 273.337 -1.597 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001379597506 888168582 /nfs/dbraw/zinc/16/85/82/888168582.db2.gz NVUQGPBRCUGLHW-IUCAKERBSA-N 0 3 293.389 -1.493 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CNCC(=O)N1CCO[C@H](C)C1 ZINC001379731284 888169786 /nfs/dbraw/zinc/16/97/86/888169786.db2.gz SSTSPKHJVSIRMN-PWSUYJOCSA-N 0 3 287.360 -1.338 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CCn1cccn1 ZINC001379740567 888169726 /nfs/dbraw/zinc/16/97/26/888169726.db2.gz GKLQKBMNAUIQSX-LLVKDONJSA-N 0 3 297.359 -1.572 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001379742944 888169622 /nfs/dbraw/zinc/16/96/22/888169622.db2.gz IIYCJMLXYAXMML-ZJUUUORDSA-N 0 3 286.332 -2.580 20 0 CAADHN CC(C)OCC(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001379759220 888169706 /nfs/dbraw/zinc/16/97/06/888169706.db2.gz FUNPIZJZFXDMIZ-LLVKDONJSA-N 0 3 289.376 -1.092 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NC[C@H](O)CN(C)C(C)=O ZINC001379728736 888169883 /nfs/dbraw/zinc/16/98/83/888169883.db2.gz KAGQMUWNRSAPJH-SCZZXKLOSA-N 0 3 288.348 -1.351 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001379740212 888169894 /nfs/dbraw/zinc/16/98/94/888169894.db2.gz DVBOLUXOKLFZPC-NXEZZACHSA-N 0 3 295.343 -1.366 20 0 CAADHN Cc1ncncc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001379743642 888170065 /nfs/dbraw/zinc/17/00/65/888170065.db2.gz NBJRJAMJFHKRSZ-UWVGGRQHSA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccncc1F ZINC001379754170 888170150 /nfs/dbraw/zinc/17/01/50/888170150.db2.gz CCDGVJCVRWYOST-VIFPVBQESA-N 0 3 298.318 -1.011 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001379760593 888170322 /nfs/dbraw/zinc/17/03/22/888170322.db2.gz HVOKOPFELOOPJV-LLVKDONJSA-N 0 3 297.359 -1.883 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cnsn1)C(N)=O ZINC001379740606 888171063 /nfs/dbraw/zinc/17/10/63/888171063.db2.gz GLABFPWHFSVFED-RQJHMYQMSA-N 0 3 287.345 -1.566 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cocn1)C(N)=O ZINC001379753355 888171171 /nfs/dbraw/zinc/17/11/71/888171171.db2.gz BALFHOKECXKVPJ-BDAKNGLRSA-N 0 3 284.316 -1.039 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001379742128 888171219 /nfs/dbraw/zinc/17/12/19/888171219.db2.gz FGDBWWDYCCXEJR-NSHDSACASA-N 0 3 297.359 -1.469 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNCc1cnn(C)c1 ZINC001379731792 888171495 /nfs/dbraw/zinc/17/14/95/888171495.db2.gz USZYWTMXSJSTAF-LLVKDONJSA-N 0 3 270.333 -1.025 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1c[nH]c(C)n1 ZINC001379755922 888171791 /nfs/dbraw/zinc/17/17/91/888171791.db2.gz IDTWJFPBVMCOGZ-WPRPVWTQSA-N 0 3 297.359 -1.125 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CCCOCC1 ZINC001379776025 888172482 /nfs/dbraw/zinc/17/24/82/888172482.db2.gz QULPBSLTOIAITK-MNOVXSKESA-N 0 3 287.360 -1.303 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001379781767 888172750 /nfs/dbraw/zinc/17/27/50/888172750.db2.gz SMVVYDIAOVBNKY-SECBINFHSA-N 0 3 283.332 -1.480 20 0 CAADHN CCn1ccnc1C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001379769354 888172913 /nfs/dbraw/zinc/17/29/13/888172913.db2.gz CASYGFFYKKLMON-SNVBAGLBSA-N 0 3 297.359 -1.329 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)[C@@H]1CCOC1 ZINC001379769923 888173645 /nfs/dbraw/zinc/17/36/45/888173645.db2.gz SRWVELVXCROSEW-PWSUYJOCSA-N 0 3 299.371 -1.290 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001379779720 888173653 /nfs/dbraw/zinc/17/36/53/888173653.db2.gz OBEQFQNQYGQULF-ZYHUDNBSSA-N 0 3 289.376 -1.500 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CCCOCC1 ZINC001379776019 888173673 /nfs/dbraw/zinc/17/36/73/888173673.db2.gz QULPBSLTOIAITK-GHMZBOCLSA-N 0 3 287.360 -1.303 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)Cn1cncn1 ZINC001379783393 888173820 /nfs/dbraw/zinc/17/38/20/888173820.db2.gz YFRTVQPASNGFFN-GHMZBOCLSA-N 0 3 285.348 -1.278 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CCCOCC1 ZINC001379776033 888174076 /nfs/dbraw/zinc/17/40/76/888174076.db2.gz QULPBSLTOIAITK-QWRGUYRKSA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](OC)C(C)C ZINC001379839229 888176128 /nfs/dbraw/zinc/17/61/28/888176128.db2.gz MQEDKBKPVQNPTE-CMPLNLGQSA-N 0 3 289.376 -1.188 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ncccn1 ZINC001379849614 888175456 /nfs/dbraw/zinc/17/54/56/888175456.db2.gz GJGVECNYEFTDQU-VHSXEESVSA-N 0 3 293.327 -1.612 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001379846253 888175571 /nfs/dbraw/zinc/17/55/71/888175571.db2.gz XLUQAFDNOWNHHL-PELKAZGASA-N 0 3 286.332 -2.451 20 0 CAADHN Cn1cc(C(=O)N[C@@H](CN[C@H]2CCNC2=O)C2CC2)nn1 ZINC001379854924 888175731 /nfs/dbraw/zinc/17/57/31/888175731.db2.gz FZIBOWNKRJIPGA-UWVGGRQHSA-N 0 3 292.343 -1.198 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CN1CCOCC1)C1CC1 ZINC001379859876 888175837 /nfs/dbraw/zinc/17/58/37/888175837.db2.gz LBTIHKIFZGRUBD-GFCCVEGCSA-N 0 3 298.387 -1.451 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccncn1 ZINC001379838947 888175887 /nfs/dbraw/zinc/17/58/87/888175887.db2.gz GYMWRGBWJIBHKU-UWVGGRQHSA-N 0 3 293.327 -1.612 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1cnoc1)C(N)=O ZINC001379816765 888175937 /nfs/dbraw/zinc/17/59/37/888175937.db2.gz NYEZMLMMRAREPT-GHMZBOCLSA-N 0 3 298.343 -1.110 20 0 CAADHN Cc1nccn1CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001379855701 888175957 /nfs/dbraw/zinc/17/59/57/888175957.db2.gz DHWLPAWUQJHHRI-JTQLQIEISA-N 0 3 283.332 -1.914 20 0 CAADHN Cn1cc(C(=O)N[C@@H](CN[C@@H]2CCNC2=O)C2CC2)nn1 ZINC001379854930 888175970 /nfs/dbraw/zinc/17/59/70/888175970.db2.gz FZIBOWNKRJIPGA-ZJUUUORDSA-N 0 3 292.343 -1.198 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)c1cnon1 ZINC001379852565 888176037 /nfs/dbraw/zinc/17/60/37/888176037.db2.gz LTBWBKKLOLVXRZ-VIFPVBQESA-N 0 3 297.315 -1.629 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001379828842 888176067 /nfs/dbraw/zinc/17/60/67/888176067.db2.gz VRJNFVHFXDNQHX-SNVBAGLBSA-N 0 3 297.359 -1.171 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001379836559 888176097 /nfs/dbraw/zinc/17/60/97/888176097.db2.gz CSIMZRKUYMJHOM-RKDXNWHRSA-N 0 3 298.347 -2.028 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001379854777 888176152 /nfs/dbraw/zinc/17/61/52/888176152.db2.gz HPWOFIWRUSMTMR-PSASIEDQSA-N 0 3 295.347 -1.708 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1ncccn1 ZINC001379849624 888176179 /nfs/dbraw/zinc/17/61/79/888176179.db2.gz GJGVECNYEFTDQU-ZJUUUORDSA-N 0 3 293.327 -1.612 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001379846254 888176232 /nfs/dbraw/zinc/17/62/32/888176232.db2.gz XLUQAFDNOWNHHL-UFBFGSQYSA-N 0 3 286.332 -2.451 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001379850965 888176278 /nfs/dbraw/zinc/17/62/78/888176278.db2.gz JDVPTESJGZFTDK-VIFPVBQESA-N 0 3 299.331 -1.430 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cccnn1)C(N)=O ZINC001379848804 888176333 /nfs/dbraw/zinc/17/63/33/888176333.db2.gz DRRDMFSTLZGMJQ-ZJUUUORDSA-N 0 3 295.343 -1.237 20 0 CAADHN Cc1nc(C)c(C(=O)N(C)C[C@H](O)CNCC(N)=O)[nH]1 ZINC001379836027 888176424 /nfs/dbraw/zinc/17/64/24/888176424.db2.gz RTPGWPVCKWUFFA-SECBINFHSA-N 0 3 283.332 -1.466 20 0 CAADHN CC(=O)N[C@H](CNCC(=O)N1CCNC(=O)C1)C1CC1 ZINC001379843167 888176496 /nfs/dbraw/zinc/17/64/96/888176496.db2.gz WOTXEWNAKZUEQY-LLVKDONJSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)Cc1cnoc1)C(N)=O ZINC001379816802 888176625 /nfs/dbraw/zinc/17/66/25/888176625.db2.gz NYEZMLMMRAREPT-MNOVXSKESA-N 0 3 298.343 -1.110 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](OC)C(C)C ZINC001379839239 888176867 /nfs/dbraw/zinc/17/68/67/888176867.db2.gz MQEDKBKPVQNPTE-JQWIXIFHSA-N 0 3 289.376 -1.188 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)CN1CCCC1=O ZINC001379893758 888177974 /nfs/dbraw/zinc/17/79/74/888177974.db2.gz AIWDMCQJDPKYGS-LLVKDONJSA-N 0 3 287.360 -1.648 20 0 CAADHN CCc1ncncc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001379861667 888178084 /nfs/dbraw/zinc/17/80/84/888178084.db2.gz NALJLBPVFRJKFZ-VIFPVBQESA-N 0 3 295.343 -1.453 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)c1ncn(C)n1)C1CC1 ZINC001379862099 888178303 /nfs/dbraw/zinc/17/83/03/888178303.db2.gz RRVQWZWUEMKCJD-SECBINFHSA-N 0 3 280.332 -1.341 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001379865181 888179314 /nfs/dbraw/zinc/17/93/14/888179314.db2.gz VZRYIWYUWBRFPO-CBAPKCEASA-N 0 3 285.348 -1.726 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ncccn1)C(N)=O ZINC001379861331 888179570 /nfs/dbraw/zinc/17/95/70/888179570.db2.gz ZIXDQHWHPPPRIU-BDAKNGLRSA-N 0 3 281.316 -1.627 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H]1CCC(=O)N1C)C1CC1 ZINC001379896380 888179647 /nfs/dbraw/zinc/17/96/47/888179647.db2.gz DQTHGSSCNXSVQZ-QWRGUYRKSA-N 0 3 296.371 -1.162 20 0 CAADHN COc1c(C(=O)N(C)C[C@@H](O)CNCC(N)=O)cnn1C ZINC001379874015 888179767 /nfs/dbraw/zinc/17/97/67/888179767.db2.gz LFEZKWVOKRTTRJ-QMMMGPOBSA-N 0 3 299.331 -2.064 20 0 CAADHN Cn1nnc(C(=O)N[C@@H](CN[C@@H]2CCNC2=O)C2CC2)n1 ZINC001379900632 888179775 /nfs/dbraw/zinc/17/97/75/888179775.db2.gz QDZAJLAGFJZSIM-BDAKNGLRSA-N 0 3 293.331 -1.803 20 0 CAADHN C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1nnc[n-]1 ZINC001379904349 888179857 /nfs/dbraw/zinc/17/98/57/888179857.db2.gz BLELNYYNQHYTMV-QWRGUYRKSA-N 0 3 299.375 -1.131 20 0 CAADHN C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1nnc[n-]1 ZINC001379904349 888179859 /nfs/dbraw/zinc/17/98/59/888179859.db2.gz BLELNYYNQHYTMV-QWRGUYRKSA-N 0 3 299.375 -1.131 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)Cc1ccc[nH]1 ZINC001379867591 888179925 /nfs/dbraw/zinc/17/99/25/888179925.db2.gz QCQHDGJMBOXZGR-VXGBXAGGSA-N 0 3 294.355 -1.145 20 0 CAADHN Cn1nnc(C(=O)N[C@H](CN[C@H]2CCNC2=O)C2CC2)n1 ZINC001379900634 888180152 /nfs/dbraw/zinc/18/01/52/888180152.db2.gz QDZAJLAGFJZSIM-DTWKUNHWSA-N 0 3 293.331 -1.803 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 ZINC001379911879 888180168 /nfs/dbraw/zinc/18/01/68/888180168.db2.gz DGUSJHDQHWHFQM-ZJUUUORDSA-N 0 3 297.359 -1.501 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001379916535 888180292 /nfs/dbraw/zinc/18/02/92/888180292.db2.gz RXVWUDFCHHXALP-VHSXEESVSA-N 0 3 290.364 -1.559 20 0 CAADHN Cn1nnc(C(=O)N[C@H](CN[C@@H]2CCNC2=O)C2CC2)n1 ZINC001379900653 888180563 /nfs/dbraw/zinc/18/05/63/888180563.db2.gz QDZAJLAGFJZSIM-RKDXNWHRSA-N 0 3 293.331 -1.803 20 0 CAADHN COc1c(C(=O)N(C)C[C@H](O)CNCC(N)=O)cnn1C ZINC001379874008 888180659 /nfs/dbraw/zinc/18/06/59/888180659.db2.gz LFEZKWVOKRTTRJ-MRVPVSSYSA-N 0 3 299.331 -2.064 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001379968938 888182634 /nfs/dbraw/zinc/18/26/34/888182634.db2.gz SZBMOZFTHMCSFF-SNVBAGLBSA-N 0 3 298.343 -1.219 20 0 CAADHN Cc1nnc(CC(=O)NCC2(N[C@H](C)C(N)=O)CC2)[nH]1 ZINC001380087238 888189685 /nfs/dbraw/zinc/18/96/85/888189685.db2.gz WBGPLZHESPEOLJ-SSDOTTSWSA-N 0 3 280.332 -1.232 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)Cn1ncnn1)C(C)(C)C)C(N)=O ZINC001380077652 888190427 /nfs/dbraw/zinc/19/04/27/888190427.db2.gz XYWWWDSVJDVCRB-BDAKNGLRSA-N 0 3 297.363 -1.333 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001380064028 888190779 /nfs/dbraw/zinc/19/07/79/888190779.db2.gz LZTYDWZIJPZRMQ-NSHDSACASA-N 0 3 298.387 -1.309 20 0 CAADHN CC[C@@H](NC1(CNC(=O)Cn2ncnn2)CC1)C(N)=O ZINC001380079959 888190891 /nfs/dbraw/zinc/19/08/91/888190891.db2.gz NTLZBJUEQNWCEO-MRVPVSSYSA-N 0 3 281.320 -1.825 20 0 CAADHN CN1CCO[C@H](C(=O)NCC2(N[C@@H]3CCNC3=O)CC2)C1 ZINC001380065230 888190927 /nfs/dbraw/zinc/19/09/27/888190927.db2.gz TUPZLEFHHTVNQS-MNOVXSKESA-N 0 3 296.371 -1.556 20 0 CAADHN Cn1cnc(C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)n1 ZINC001380087600 888191174 /nfs/dbraw/zinc/19/11/74/888191174.db2.gz OHVUUDSXXIXZNH-VIFPVBQESA-N 0 3 292.343 -1.054 20 0 CAADHN Cn1ncc(C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)n1 ZINC001380148746 888195218 /nfs/dbraw/zinc/19/52/18/888195218.db2.gz GIVXKGNIDYMKBH-VIFPVBQESA-N 0 3 292.343 -1.054 20 0 CAADHN CN(C(=O)[C@@H]1CCCN1C)C1CN(CC(=O)NC(N)=O)C1 ZINC001380220535 888196769 /nfs/dbraw/zinc/19/67/69/888196769.db2.gz IGQWFUPHYRAKSL-JTQLQIEISA-N 0 3 297.359 -1.582 20 0 CAADHN CN1CC[C@@H](CC(=O)N2CCC[C@@H]2CNCC(N)=O)C1=O ZINC001380281751 888198954 /nfs/dbraw/zinc/19/89/54/888198954.db2.gz BFDJKYLGKKJQCV-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)Cn1cncn1 ZINC001380280732 888198986 /nfs/dbraw/zinc/19/89/86/888198986.db2.gz AHIKPWYEMUFOME-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CCn1cncn1 ZINC001380261256 888199014 /nfs/dbraw/zinc/19/90/14/888199014.db2.gz NYDRLOYJQLYCIW-SNVBAGLBSA-N 0 3 280.332 -1.266 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001380268187 888199086 /nfs/dbraw/zinc/19/90/86/888199086.db2.gz AENSFIIHHCGYPH-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)c1cnnn1C ZINC001380262262 888199114 /nfs/dbraw/zinc/19/91/14/888199114.db2.gz GGIFOGRCZJYBNZ-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)c1cnnn1C ZINC001380262265 888199129 /nfs/dbraw/zinc/19/91/29/888199129.db2.gz GGIFOGRCZJYBNZ-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC001380277461 888199292 /nfs/dbraw/zinc/19/92/92/888199292.db2.gz VVKXKGDWJLETET-UWVGGRQHSA-N 0 3 298.343 -1.202 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001380285403 888199363 /nfs/dbraw/zinc/19/93/63/888199363.db2.gz RAMKLFOFGLVWOM-SNVBAGLBSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)Cn1cncn1 ZINC001380280730 888199471 /nfs/dbraw/zinc/19/94/71/888199471.db2.gz AHIKPWYEMUFOME-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CCn1ccnn1 ZINC001380273535 888199743 /nfs/dbraw/zinc/19/97/43/888199743.db2.gz UYJRYLFZPGTWQV-JTQLQIEISA-N 0 3 280.332 -1.266 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001380262875 888200099 /nfs/dbraw/zinc/20/00/99/888200099.db2.gz RPHIKGRYCOZFBJ-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001380292678 888200430 /nfs/dbraw/zinc/20/04/30/888200430.db2.gz VDTYOORUDCRTJN-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)c1cn(C)nn1)C(N)=O ZINC001380262287 888200524 /nfs/dbraw/zinc/20/05/24/888200524.db2.gz GMUAADXLNJCCEN-BDAKNGLRSA-N 0 3 280.332 -1.117 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@H]2CNCC(N)=O)c1N ZINC001380268718 888200889 /nfs/dbraw/zinc/20/08/89/888200889.db2.gz IVSGICQEBFZLQU-QMMMGPOBSA-N 0 3 280.332 -1.318 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001380283170 888201225 /nfs/dbraw/zinc/20/12/25/888201225.db2.gz GFOJMXDHECPYND-AEJSXWLSSA-N 0 3 282.344 -1.566 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CNC(=O)N2)CCOCC1 ZINC001380501727 888202612 /nfs/dbraw/zinc/20/26/12/888202612.db2.gz AMYKJMHFCKAMCN-QMMMGPOBSA-N 0 3 299.331 -2.592 20 0 CAADHN COCCC(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001380494174 888202929 /nfs/dbraw/zinc/20/29/29/888202929.db2.gz XJLTZJGIYITJPO-UHFFFAOYSA-N 0 3 273.333 -1.237 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@]1(O)CCN(CCn2cncn2)C1 ZINC001380513173 888203315 /nfs/dbraw/zinc/20/33/15/888203315.db2.gz FWPPWXLNYJTNIY-YPMHNXCESA-N 0 3 297.359 -1.134 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@H]1COCCO1 ZINC001380521113 888205551 /nfs/dbraw/zinc/20/55/51/888205551.db2.gz LUCDMCVFRIVYDY-ZYHUDNBSSA-N 0 3 274.317 -2.053 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001380519679 888205302 /nfs/dbraw/zinc/20/53/02/888205302.db2.gz SIPMMNRBZFIMNB-NSHDSACASA-N 0 3 284.320 -2.128 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001380527439 888205486 /nfs/dbraw/zinc/20/54/86/888205486.db2.gz BLCHKODQQGQPQU-ZDUSSCGKSA-N 0 3 297.359 -1.063 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cn2cnnn2)CCOCC1 ZINC001380491883 888205678 /nfs/dbraw/zinc/20/56/78/888205678.db2.gz PRSPTRZMOFXYFL-UHFFFAOYSA-N 0 3 297.319 -2.587 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@]23C[C@H]2COC3)CCOCC1 ZINC001380503610 888205827 /nfs/dbraw/zinc/20/58/27/888205827.db2.gz ZYRMFFDQYUEQRL-HZMBPMFUSA-N 0 3 297.355 -1.237 20 0 CAADHN Cc1noc(CCC(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001380548833 888207135 /nfs/dbraw/zinc/20/71/35/888207135.db2.gz CSHVTAMRXFFBCF-ZDUSSCGKSA-N 0 3 298.343 -1.144 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001380552719 888207373 /nfs/dbraw/zinc/20/73/73/888207373.db2.gz SXIHIEFTMDBQSK-ZWNOBZJWSA-N 0 3 285.344 -1.848 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001380546650 888208331 /nfs/dbraw/zinc/20/83/31/888208331.db2.gz BQLPGGXJJXXEOE-FZMZJTMJSA-N 0 3 299.371 -1.146 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001380552717 888208396 /nfs/dbraw/zinc/20/83/96/888208396.db2.gz SXIHIEFTMDBQSK-MFKMUULPSA-N 0 3 285.344 -1.848 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001380546653 888208430 /nfs/dbraw/zinc/20/84/30/888208430.db2.gz BQLPGGXJJXXEOE-SMDDNHRTSA-N 0 3 299.371 -1.146 20 0 CAADHN CN(CC(=O)NC[C@@]1(O)CCN(CC(N)=O)C1)C1CCC1 ZINC001380534102 888210650 /nfs/dbraw/zinc/21/06/50/888210650.db2.gz KXAZTZIJPOMEDY-AWEZNQCLSA-N 0 3 298.387 -1.491 20 0 CAADHN CCCN1CCC[C@@H]1C(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001380596667 888217055 /nfs/dbraw/zinc/21/70/55/888217055.db2.gz BRAFPDCQTORFLA-LLVKDONJSA-N 0 3 298.387 -1.491 20 0 CAADHN CC[C@H](C(=O)NCC1(O)CN([C@@H]2CCNC2=O)C1)N(C)C ZINC001380639088 888222424 /nfs/dbraw/zinc/22/24/24/888222424.db2.gz AIWQQQOLURQLGA-GHMZBOCLSA-N 0 3 298.387 -1.622 20 0 CAADHN C[C@H]1CC[C@H](C)N1CC(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001380648506 888223402 /nfs/dbraw/zinc/22/34/02/888223402.db2.gz HHFGZZQGVQGYTE-QWRGUYRKSA-N 0 3 298.387 -1.493 20 0 CAADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001380648498 888225721 /nfs/dbraw/zinc/22/57/21/888225721.db2.gz HHFGZZQGVQGYTE-GHMZBOCLSA-N 0 3 298.387 -1.493 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)C(F)F)C1=O ZINC001380755292 888226396 /nfs/dbraw/zinc/22/63/96/888226396.db2.gz ZHLAWPGAKUPYPW-QMMMGPOBSA-N 0 3 279.287 -1.107 20 0 CAADHN O=C(C[C@H]1CCOC1)N(CCO)CCN[C@H]1CCNC1=O ZINC001380760998 888226467 /nfs/dbraw/zinc/22/64/67/888226467.db2.gz CCFVGUQKLMUZEJ-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@]1(C(=O)N(CCO)CCN[C@H]2CCNC2=O)CCOC1 ZINC001380764503 888226810 /nfs/dbraw/zinc/22/68/10/888226810.db2.gz NINGEPWJRGHZAA-FZMZJTMJSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(C[C@@H]1CCOC1)N(CCO)CCN[C@H]1CCNC1=O ZINC001380761004 888227489 /nfs/dbraw/zinc/22/74/89/888227489.db2.gz CCFVGUQKLMUZEJ-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@@H]1C ZINC001380686909 888227853 /nfs/dbraw/zinc/22/78/53/888227853.db2.gz HPXOYGVLPCINCQ-DTWKUNHWSA-N 0 3 280.332 -1.152 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ccon1)C(N)=O ZINC001380765605 888227982 /nfs/dbraw/zinc/22/79/82/888227982.db2.gz MQMRJKYFGPLMLI-MRVPVSSYSA-N 0 3 270.289 -1.428 20 0 CAADHN Cc1nc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)c[nH]1 ZINC001380760936 888228069 /nfs/dbraw/zinc/22/80/69/888228069.db2.gz BUAQSMDKRGVCOJ-MRVPVSSYSA-N 0 3 283.332 -1.384 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ccon1)C(N)=O ZINC001380765609 888228332 /nfs/dbraw/zinc/22/83/32/888228332.db2.gz MQMRJKYFGPLMLI-QMMMGPOBSA-N 0 3 270.289 -1.428 20 0 CAADHN O=C(c1cnns1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001380764915 888228410 /nfs/dbraw/zinc/22/84/10/888228410.db2.gz LQROXGHYJZGUOT-MRVPVSSYSA-N 0 3 299.356 -1.549 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2nc[n-]n2)C[C@@H]1C ZINC001380686913 888228648 /nfs/dbraw/zinc/22/86/48/888228648.db2.gz HPXOYGVLPCINCQ-IUCAKERBSA-N 0 3 280.332 -1.152 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H]1CCCO1)C(N)=O ZINC001380761666 888228711 /nfs/dbraw/zinc/22/87/11/888228711.db2.gz DIADQZMOUMGNOD-VHSXEESVSA-N 0 3 273.333 -1.550 20 0 CAADHN COCC1(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)CC1 ZINC001380763518 888228874 /nfs/dbraw/zinc/22/88/74/888228874.db2.gz JCTIPWBHEMKYJQ-LLVKDONJSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(C[C@@H]1CCOC1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001380761002 888229274 /nfs/dbraw/zinc/22/92/74/888229274.db2.gz CCFVGUQKLMUZEJ-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001380686902 888229464 /nfs/dbraw/zinc/22/94/64/888229464.db2.gz HPXOYGVLPCINCQ-BDAKNGLRSA-N 0 3 280.332 -1.152 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cnn(C)c1N)C(N)=O ZINC001380771791 888230334 /nfs/dbraw/zinc/23/03/34/888230334.db2.gz XPKLGRPNHVFEGJ-MRVPVSSYSA-N 0 3 298.347 -2.100 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001380839315 888231405 /nfs/dbraw/zinc/23/14/05/888231405.db2.gz UHYXPVFRQITURW-SNVBAGLBSA-N 0 3 295.347 -1.481 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001380769386 888231941 /nfs/dbraw/zinc/23/19/41/888231941.db2.gz WWYSNCOPNSNZEC-VIFPVBQESA-N 0 3 299.335 -2.782 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)Cn2ncnn2)CCC1 ZINC001380858376 888232092 /nfs/dbraw/zinc/23/20/92/888232092.db2.gz RJKJEWMVIYCACS-UHFFFAOYSA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cnn(C)c1N)C(N)=O ZINC001380771838 888232620 /nfs/dbraw/zinc/23/26/20/888232620.db2.gz XPKLGRPNHVFEGJ-QMMMGPOBSA-N 0 3 298.347 -2.100 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CCNC(=O)C2)CCC1 ZINC001380858215 888232835 /nfs/dbraw/zinc/23/28/35/888232835.db2.gz PXXUPAVXZSZDHO-SECBINFHSA-N 0 3 282.344 -1.374 20 0 CAADHN COC(=O)[C@H]1C[C@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001380852491 888233749 /nfs/dbraw/zinc/23/37/49/888233749.db2.gz LFTVBKPROCGIQF-BDAKNGLRSA-N 0 3 283.328 -1.091 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)CC(C)(C)O)CCO1 ZINC001380906897 888234972 /nfs/dbraw/zinc/23/49/72/888234972.db2.gz XVCITYQWQAPRML-JTQLQIEISA-N 0 3 287.360 -1.290 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001380913519 888235329 /nfs/dbraw/zinc/23/53/29/888235329.db2.gz JVKLLKIDRWERGR-SECBINFHSA-N 0 3 297.315 -1.364 20 0 CAADHN COCC(=O)N1CCO[C@@H](CNCC(=O)NCC2CC2)C1 ZINC001380898136 888235523 /nfs/dbraw/zinc/23/55/23/888235523.db2.gz OLKGKITVWWVGTM-LBPRGKRZSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@@H](C(=O)N1CCO[C@@H](CNCC(N)=O)C1)n1cccn1 ZINC001380905984 888235629 /nfs/dbraw/zinc/23/56/29/888235629.db2.gz XFCVXHOOXFTZMM-QWRGUYRKSA-N 0 3 295.343 -1.254 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001380876118 888235656 /nfs/dbraw/zinc/23/56/56/888235656.db2.gz HRECRMMBFAPLOS-VIFPVBQESA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H](OC)C2CC2)CCO1 ZINC001380906601 888236517 /nfs/dbraw/zinc/23/65/17/888236517.db2.gz XDYUVEIZJGRZIT-WCQYABFASA-N 0 3 299.371 -1.026 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2nnn(C)n2)CCO1)C(N)=O ZINC001380911547 888236638 /nfs/dbraw/zinc/23/66/38/888236638.db2.gz GNWRWMNDGSYZBT-SFYZADRCSA-N 0 3 297.319 -2.486 20 0 CAADHN C[C@](O)(CC(=O)N1CCO[C@H](CNCC(N)=O)C1)C1CC1 ZINC001380906904 888236822 /nfs/dbraw/zinc/23/68/22/888236822.db2.gz XZALUUQXKGPULO-RISCZKNCSA-N 0 3 299.371 -1.160 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001380899699 888237113 /nfs/dbraw/zinc/23/71/13/888237113.db2.gz BTBIKXUPLMEJCT-SNVBAGLBSA-N 0 3 295.343 -1.403 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ccncn2)CCO1 ZINC001380920264 888237390 /nfs/dbraw/zinc/23/73/90/888237390.db2.gz UPJVEBLMSIRKJS-VIFPVBQESA-N 0 3 279.300 -1.608 20 0 CAADHN Cn1cnc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)n1 ZINC001380907636 888237426 /nfs/dbraw/zinc/23/74/26/888237426.db2.gz FABWBVCBSRZRBQ-MRVPVSSYSA-N 0 3 282.304 -2.269 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)Cc2ccon2)CCO1)C(N)=O ZINC001380899683 888237626 /nfs/dbraw/zinc/23/76/26/888237626.db2.gz BJMZCFHXTLDPRL-ONGXEEELSA-N 0 3 296.327 -1.092 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001380900119 888237933 /nfs/dbraw/zinc/23/79/33/888237933.db2.gz XKDZJCKTSTWMCY-WDEREUQCSA-N 0 3 298.343 -2.172 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ccncn2)CCO1 ZINC001380920263 888238043 /nfs/dbraw/zinc/23/80/43/888238043.db2.gz UPJVEBLMSIRKJS-SECBINFHSA-N 0 3 279.300 -1.608 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001380905918 888238072 /nfs/dbraw/zinc/23/80/72/888238072.db2.gz WNBHORJKWSIIAJ-ZJUUUORDSA-N 0 3 271.317 -1.675 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)Cc2ccon2)CCO1)C(N)=O ZINC001380899667 888238356 /nfs/dbraw/zinc/23/83/56/888238356.db2.gz BJMZCFHXTLDPRL-GXSJLCMTSA-N 0 3 296.327 -1.092 20 0 CAADHN C[C@@](O)(CC(=O)N1CCO[C@@H](CNCC(N)=O)C1)C1CC1 ZINC001380906905 888238389 /nfs/dbraw/zinc/23/83/89/888238389.db2.gz XZALUUQXKGPULO-SMDDNHRTSA-N 0 3 299.371 -1.160 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001380971513 888238822 /nfs/dbraw/zinc/23/88/22/888238822.db2.gz NIMGVLZPDXWJEV-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2csnn2)CCO1 ZINC001380922766 888238985 /nfs/dbraw/zinc/23/89/85/888238985.db2.gz YFRKMKUPGWOTRK-ZETCQYMHSA-N 0 3 285.329 -1.546 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2csnn2)CCO1 ZINC001380922761 888240968 /nfs/dbraw/zinc/24/09/68/888240968.db2.gz YFRKMKUPGWOTRK-SSDOTTSWSA-N 0 3 285.329 -1.546 20 0 CAADHN C[C@H]1CN(C(=O)c2nc[n-]n2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001381115232 888242810 /nfs/dbraw/zinc/24/28/10/888242810.db2.gz NBCCKYXXIADCFU-IUCAKERBSA-N 0 3 280.332 -1.057 20 0 CAADHN C[C@@H]1CN(C(=O)c2cocn2)C[C@@H]1NCC(=O)NC(N)=O ZINC001381099150 888243166 /nfs/dbraw/zinc/24/31/66/888243166.db2.gz XOAWUXCFXSQZAB-SFYZADRCSA-N 0 3 295.299 -1.080 20 0 CAADHN C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1NCC(=O)NC(N)=O ZINC001381095709 888243231 /nfs/dbraw/zinc/24/32/31/888243231.db2.gz HYYSKTTUHXUGCU-SFYZADRCSA-N 0 3 294.315 -1.345 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N(C)C)C1 ZINC001381095223 888243402 /nfs/dbraw/zinc/24/34/02/888243402.db2.gz FLNLTTDXJFGCJZ-PWSUYJOCSA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1NCC(=O)N(C)C ZINC001381116827 888243430 /nfs/dbraw/zinc/24/34/30/888243430.db2.gz QPAVQVBLKAGLEO-KOLCDFICSA-N 0 3 294.359 -1.047 20 0 CAADHN C[C@H]1CN(C(=O)c2cocn2)C[C@H]1NCC(=O)NC(N)=O ZINC001381099142 888243646 /nfs/dbraw/zinc/24/36/46/888243646.db2.gz XOAWUXCFXSQZAB-JGVFFNPUSA-N 0 3 295.299 -1.080 20 0 CAADHN CNC(=O)C[NH2+][C@H]1CN(C(=O)CCc2nnc[n-]2)C[C@@H]1C ZINC001381098015 888243953 /nfs/dbraw/zinc/24/39/53/888243953.db2.gz SWDOURHVCGZEQJ-UWVGGRQHSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001381148137 888244084 /nfs/dbraw/zinc/24/40/84/888244084.db2.gz WRXFDVHPDWNORH-LLVKDONJSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001381115230 888244509 /nfs/dbraw/zinc/24/45/09/888244509.db2.gz NBCCKYXXIADCFU-BDAKNGLRSA-N 0 3 280.332 -1.057 20 0 CAADHN CNC(=O)C[NH2+][C@H]1CN(C(=O)CCc2nnc[n-]2)C[C@H]1C ZINC001381098021 888244682 /nfs/dbraw/zinc/24/46/82/888244682.db2.gz SWDOURHVCGZEQJ-ZJUUUORDSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)[C@H]2CCOC2)CC1 ZINC001381148138 888244911 /nfs/dbraw/zinc/24/49/11/888244911.db2.gz WRXFDVHPDWNORH-NSHDSACASA-N 0 3 299.371 -1.288 20 0 CAADHN Cn1cnc(C(=O)NC2(CNCC(N)=O)CCOCC2)n1 ZINC001381063455 888245143 /nfs/dbraw/zinc/24/51/43/888245143.db2.gz UCLCVELVFZTZSG-UHFFFAOYSA-N 0 3 296.331 -1.831 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)Cn2ncnn2)CC1 ZINC001381139965 888245338 /nfs/dbraw/zinc/24/53/38/888245338.db2.gz FZMGRDJFTRAHTJ-UHFFFAOYSA-N 0 3 297.319 -2.899 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CCCOC2)CC1 ZINC001381147681 888245419 /nfs/dbraw/zinc/24/54/19/888245419.db2.gz VTAYPOJYDQWLCG-LLVKDONJSA-N 0 3 299.371 -1.159 20 0 CAADHN CNC(=O)NCC(=O)N1CCCC[C@H]1CN[C@@H](C)C(N)=O ZINC001381269534 888246830 /nfs/dbraw/zinc/24/68/30/888246830.db2.gz NSTIYDNWWLSOBM-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CCNC(=O)c1nnc[nH]1)NCc1nnnn1C ZINC001381218539 888247261 /nfs/dbraw/zinc/24/72/61/888247261.db2.gz HJIRBAMPPAREHI-ZETCQYMHSA-N 0 3 279.308 -1.374 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001381267402 888248119 /nfs/dbraw/zinc/24/81/19/888248119.db2.gz NUNFJTJBLUJCRM-LBPRGKRZSA-N 0 3 296.371 -1.079 20 0 CAADHN O=C(Cc1c[nH]cn1)NC1(CO)CCN(CCO)CC1 ZINC001381263972 888248984 /nfs/dbraw/zinc/24/89/84/888248984.db2.gz SSIHAPQEDACFEX-UHFFFAOYSA-N 0 3 282.344 -1.112 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001381273381 888249518 /nfs/dbraw/zinc/24/95/18/888249518.db2.gz ZEFKDAZTVHVOQK-VIFPVBQESA-N 0 3 293.327 -1.161 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001381269252 888249875 /nfs/dbraw/zinc/24/98/75/888249875.db2.gz LNPDOOFHOOHWEM-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001381373680 888250964 /nfs/dbraw/zinc/25/09/64/888250964.db2.gz MHSQPZGINCJXQJ-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)COC ZINC001381354051 888251255 /nfs/dbraw/zinc/25/12/55/888251255.db2.gz QLPOFXSXYKGEAX-JGVFFNPUSA-N 0 3 274.321 -1.429 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001381361763 888251345 /nfs/dbraw/zinc/25/13/45/888251345.db2.gz UHPXCJODKIZTEB-JGVFFNPUSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cncn1C ZINC001381407791 888251381 /nfs/dbraw/zinc/25/13/81/888251381.db2.gz NVUIJLBRMYBTGC-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](NC(=O)c1ccnnc1)[C@H](C)NCC(=O)NC(N)=O ZINC001381437679 888251524 /nfs/dbraw/zinc/25/15/24/888251524.db2.gz QFMIXQKHBWEYFE-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)CNC(=O)OC ZINC001381490752 888251677 /nfs/dbraw/zinc/25/16/77/888251677.db2.gz NFTAUUXECUSGBD-ZJUUUORDSA-N 0 3 291.348 -1.214 20 0 CAADHN C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)NCC(=O)NC1CC1 ZINC001381454314 888251935 /nfs/dbraw/zinc/25/19/35/888251935.db2.gz SOYWQUCTGGZMHV-DTWKUNHWSA-N 0 3 299.375 -1.194 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)COC ZINC001381354013 888251970 /nfs/dbraw/zinc/25/19/70/888251970.db2.gz QLPOFXSXYKGEAX-HTQZYQBOSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)CCNC(N)=O ZINC001381454318 888252379 /nfs/dbraw/zinc/25/23/79/888252379.db2.gz SOYWQUCTGGZMHV-IUCAKERBSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)CC(C)(C)O ZINC001381356778 888253931 /nfs/dbraw/zinc/25/39/31/888253931.db2.gz AVWFCBJDUIFTMP-HTQZYQBOSA-N 0 3 288.348 -1.175 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001381401672 888254156 /nfs/dbraw/zinc/25/41/56/888254156.db2.gz PYPGJPOXSSMMFF-VHSXEESVSA-N 0 3 299.375 -2.353 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001381373676 888254175 /nfs/dbraw/zinc/25/41/75/888254175.db2.gz MHSQPZGINCJXQJ-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](NC(=O)CC(C)(C)O)[C@H](C)NCC(=O)NC(N)=O ZINC001381356780 888254210 /nfs/dbraw/zinc/25/42/10/888254210.db2.gz AVWFCBJDUIFTMP-JGVFFNPUSA-N 0 3 288.348 -1.175 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)N(C)CCO ZINC001381533601 888255006 /nfs/dbraw/zinc/25/50/06/888255006.db2.gz IWNJSMJUTWYSCF-SECBINFHSA-N 0 3 288.348 -2.333 20 0 CAADHN COCCN(C)[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001381536989 888255370 /nfs/dbraw/zinc/25/53/70/888255370.db2.gz XQNDRAMCDRLUJF-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001381566432 888255270 /nfs/dbraw/zinc/25/52/70/888255270.db2.gz BWWNPTQBWVTIGL-ZJUUUORDSA-N 0 3 298.343 -1.173 20 0 CAADHN COCCN(C)[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001381536990 888256630 /nfs/dbraw/zinc/25/66/30/888256630.db2.gz XQNDRAMCDRLUJF-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN C[C@H](O)CN1CC(CCO)(NC(=O)Cc2cnc[nH]2)C1 ZINC001381686958 888263136 /nfs/dbraw/zinc/26/31/36/888263136.db2.gz MKMXINBURYWQJN-JTQLQIEISA-N 0 3 282.344 -1.114 20 0 CAADHN CC[C@@H](C(=O)NC1(CCO)CN(CCO)C1)N(C)C ZINC001381737356 888264637 /nfs/dbraw/zinc/26/46/37/888264637.db2.gz JENKSJUXEWZWCO-NSHDSACASA-N 0 3 273.377 -1.128 20 0 CAADHN CCNC(=O)CN1CC([C@@H](C)NC(=O)c2ncn[nH]2)C1 ZINC001381826981 888265402 /nfs/dbraw/zinc/26/54/02/888265402.db2.gz VHEDHIHURYJJKI-MRVPVSSYSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)COC)CCO1 ZINC001381924936 888269756 /nfs/dbraw/zinc/26/97/56/888269756.db2.gz HQZGRNIGYAEHFD-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001381925395 888271963 /nfs/dbraw/zinc/27/19/63/888271963.db2.gz HSHISGLVLSFHPL-UWVGGRQHSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001381939473 888272119 /nfs/dbraw/zinc/27/21/19/888272119.db2.gz XYLROWYINUACQY-SCZZXKLOSA-N 0 3 296.331 -1.881 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H]1CCNC1=O ZINC001382044277 888273154 /nfs/dbraw/zinc/27/31/54/888273154.db2.gz SIMYWPLBFHFHJH-WCBMZHEXSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001382069593 888273011 /nfs/dbraw/zinc/27/30/11/888273011.db2.gz KYJKZINBCBTEJR-SFYZADRCSA-N 0 3 272.305 -1.723 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O ZINC001382060360 888273049 /nfs/dbraw/zinc/27/30/49/888273049.db2.gz WMRQQVYXILLGQO-IUCAKERBSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NCC(N)=O ZINC001382054411 888273695 /nfs/dbraw/zinc/27/36/95/888273695.db2.gz IVNJCDVMEFSTLM-DTWKUNHWSA-N 0 3 271.317 -1.139 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)NCc1nc(=O)n(C)[nH]1 ZINC001382044858 888273271 /nfs/dbraw/zinc/27/32/71/888273271.db2.gz VNUNJEVBHPHURQ-QMMMGPOBSA-N 0 3 298.347 -1.819 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)NCC(N)=O ZINC001382073415 888273500 /nfs/dbraw/zinc/27/35/00/888273500.db2.gz VIPJDEQHCLIXAF-QMMMGPOBSA-N 0 3 297.363 -1.037 20 0 CAADHN CN(C(=O)C[C@H]1CCNC1=O)[C@@H](CNCC(N)=O)C1CC1 ZINC001382022533 888273827 /nfs/dbraw/zinc/27/38/27/888273827.db2.gz XTPCEIZFXIIBMR-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN COc1c[nH]c(C(=O)N(C)C[C@H](C)NCC(N)=O)cc1=O ZINC001382105035 888274185 /nfs/dbraw/zinc/27/41/85/888274185.db2.gz VPANQNKUACLCOS-QMMMGPOBSA-N 0 3 296.327 -1.081 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@@H](C)NCC(=O)NC ZINC001382058991 888274268 /nfs/dbraw/zinc/27/42/68/888274268.db2.gz QNBJFALUZDULPU-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001382045261 888274308 /nfs/dbraw/zinc/27/43/08/888274308.db2.gz UFGDDBMKQPNCIB-NXEZZACHSA-N 0 3 297.359 -1.760 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001382009045 888274346 /nfs/dbraw/zinc/27/43/46/888274346.db2.gz CWTIWCWSMBBGQS-CBAPKCEASA-N 0 3 285.348 -1.645 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(C)nn1)N[C@@H]1CCNC1=O ZINC001382077162 888274419 /nfs/dbraw/zinc/27/44/19/888274419.db2.gz WDESBCZERUPWAM-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CC(=O)NCC(=O)N1CCC(N(C)[C@H]2CCNC2=O)CC1 ZINC001381979553 888275092 /nfs/dbraw/zinc/27/50/92/888275092.db2.gz PEIRRBRBXXGFTI-LBPRGKRZSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001382094017 888275422 /nfs/dbraw/zinc/27/54/22/888275422.db2.gz AAKXROVKQOJMPS-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1ccnn1)N[C@H]1CCNC1=O ZINC001382075909 888275802 /nfs/dbraw/zinc/27/58/02/888275802.db2.gz VDADYJRHZNGMJI-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001382070297 888275847 /nfs/dbraw/zinc/27/58/47/888275847.db2.gz PNDOURBGHZCZKX-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001382070322 888276273 /nfs/dbraw/zinc/27/62/73/888276273.db2.gz PNDOURBGHZCZKX-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN CN(C(=O)CS(C)(=O)=O)[C@@H](CNCC(N)=O)C1CC1 ZINC001382010700 888276332 /nfs/dbraw/zinc/27/63/32/888276332.db2.gz NOLUDNCOTOVXTN-VIFPVBQESA-N 0 3 291.373 -1.657 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CCNC(=O)NC ZINC001382061865 888277386 /nfs/dbraw/zinc/27/73/86/888277386.db2.gz FEQWVLSGNXPHOU-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN CN(C(=O)CS(C)(=O)=O)[C@H](CNCC(N)=O)C1CC1 ZINC001382010699 888277796 /nfs/dbraw/zinc/27/77/96/888277796.db2.gz NOLUDNCOTOVXTN-SECBINFHSA-N 0 3 291.373 -1.657 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001382045265 888277910 /nfs/dbraw/zinc/27/79/10/888277910.db2.gz UFGDDBMKQPNCIB-VHSXEESVSA-N 0 3 297.359 -1.760 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NCC(N)=O ZINC001382162886 888278571 /nfs/dbraw/zinc/27/85/71/888278571.db2.gz GUDNRCMNLXYOTC-QMMMGPOBSA-N 0 3 283.332 -1.741 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)NCC(N)=O ZINC001382165510 888279914 /nfs/dbraw/zinc/27/99/14/888279914.db2.gz SGYFJDWYFABLEN-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN COc1nn(C)cc1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001382114871 888280397 /nfs/dbraw/zinc/28/03/97/888280397.db2.gz CHUHFOMJDCXFFJ-MRVPVSSYSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)NCC(N)=O ZINC001382128342 888280448 /nfs/dbraw/zinc/28/04/48/888280448.db2.gz BQXUKFYLRGKYDB-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001382129720 888280551 /nfs/dbraw/zinc/28/05/51/888280551.db2.gz VKLASJBYNJUNPX-MRVPVSSYSA-N 0 3 281.316 -1.434 20 0 CAADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)N[C@@H]1CCN(C)C1=O ZINC001382158532 888281258 /nfs/dbraw/zinc/28/12/58/888281258.db2.gz JAJPJXHJPUCXMJ-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1cnnn1)N[C@@H](C)C(N)=O ZINC001382141185 888282064 /nfs/dbraw/zinc/28/20/64/888282064.db2.gz TUOQGDGMKGBSAR-IUCAKERBSA-N 0 3 283.336 -1.627 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCCN1C ZINC001382177451 888285273 /nfs/dbraw/zinc/28/52/73/888285273.db2.gz BMANLILKLNJQFD-ZJUUUORDSA-N 0 3 272.349 -2.107 20 0 CAADHN CN(C)C(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCCN1C ZINC001382184206 888287996 /nfs/dbraw/zinc/28/79/96/888287996.db2.gz NJGHVLHDYPIHFT-MNOVXSKESA-N 0 3 286.376 -1.765 20 0 CAADHN CN(C)C(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCCN1C ZINC001382184205 888289743 /nfs/dbraw/zinc/28/97/43/888289743.db2.gz NJGHVLHDYPIHFT-GHMZBOCLSA-N 0 3 286.376 -1.765 20 0 CAADHN Cc1cc(C(=O)NC[C@H](CO)NCCn2cncn2)on1 ZINC001382184183 888291236 /nfs/dbraw/zinc/29/12/36/888291236.db2.gz YYICJOPSRMMLQR-SNVBAGLBSA-N 0 3 294.315 -1.045 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1cncnc1 ZINC001382200220 888297993 /nfs/dbraw/zinc/29/79/93/888297993.db2.gz OQUKJIHKPAREAF-LLVKDONJSA-N 0 3 291.315 -1.551 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)C1=CCOCC1 ZINC001382202754 888300477 /nfs/dbraw/zinc/30/04/77/888300477.db2.gz XTQOKXTZTGPGQN-LBPRGKRZSA-N 0 3 295.343 -1.309 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O ZINC001382240159 888312316 /nfs/dbraw/zinc/31/23/16/888312316.db2.gz QTQNKOAANRFOJZ-CBAPKCEASA-N 0 3 284.316 -1.448 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1cnco1 ZINC001382244925 888313858 /nfs/dbraw/zinc/31/38/58/888313858.db2.gz ZCVJYRFTZJHSFN-SECBINFHSA-N 0 3 280.288 -1.353 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@H](CO)NCC(N)=O)C1 ZINC001382243290 888314383 /nfs/dbraw/zinc/31/43/83/888314383.db2.gz FSAHGMWZSFDLKV-NXEZZACHSA-N 0 3 272.349 -2.120 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)O ZINC001382240142 888314940 /nfs/dbraw/zinc/31/49/40/888314940.db2.gz QTQNKOAANRFOJZ-APPZFPTMSA-N 0 3 284.316 -1.448 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001382256316 888318587 /nfs/dbraw/zinc/31/85/87/888318587.db2.gz KHNLFPVFLLPBIW-JTQLQIEISA-N 0 3 294.315 -1.045 20 0 CAADHN Cc1nocc1CN[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001382262285 888318832 /nfs/dbraw/zinc/31/88/32/888318832.db2.gz YKMHWAYUGRVGGT-VIFPVBQESA-N 0 3 280.288 -1.018 20 0 CAADHN Cc1nocc1CN[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001382262285 888318844 /nfs/dbraw/zinc/31/88/44/888318844.db2.gz YKMHWAYUGRVGGT-VIFPVBQESA-N 0 3 280.288 -1.018 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)Cn1ccnc1C ZINC001382276768 888326330 /nfs/dbraw/zinc/32/63/30/888326330.db2.gz XRCMPFDWRLEVPZ-MWLCHTKSSA-N 0 3 297.359 -1.607 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@H]1C ZINC001382281222 888327550 /nfs/dbraw/zinc/32/75/50/888327550.db2.gz AZZWXFYCIZQUGT-PWSUYJOCSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001382281220 888328397 /nfs/dbraw/zinc/32/83/97/888328397.db2.gz AZZWXFYCIZQUGT-CMPLNLGQSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CNC(=O)NC)C1 ZINC001382289424 888328888 /nfs/dbraw/zinc/32/88/88/888328888.db2.gz DVPPPBVBJGXUGV-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H]1C[C@H](NCC(=O)NC(N)=O)CN1C(=O)c1cc[nH]n1 ZINC001382310627 888331992 /nfs/dbraw/zinc/33/19/92/888331992.db2.gz YKODVDYHRHVXAH-YUMQZZPRSA-N 0 3 294.315 -1.203 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCNC(N)=O)C1 ZINC001382319959 888332343 /nfs/dbraw/zinc/33/23/43/888332343.db2.gz WOSYXFNHTWBXRP-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)CCNC(N)=O ZINC001382305987 888332792 /nfs/dbraw/zinc/33/27/92/888332792.db2.gz PYNLEIXTQXJTSW-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](NCC(=O)NC2CC2)C[C@@H]1C ZINC001382308074 888332906 /nfs/dbraw/zinc/33/29/06/888332906.db2.gz NGCCZNQVSBPCAW-CABZTGNLSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCNC(N)=O ZINC001382319013 888332996 /nfs/dbraw/zinc/33/29/96/888332996.db2.gz UFYRRROKEYGDBK-SFYZADRCSA-N 0 3 271.321 -1.891 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCNC(N)=O)C1 ZINC001382319932 888333318 /nfs/dbraw/zinc/33/33/18/888333318.db2.gz WOSYXFNHTWBXRP-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCNC(N)=O ZINC001382319004 888333502 /nfs/dbraw/zinc/33/35/02/888333502.db2.gz UFYRRROKEYGDBK-HTQZYQBOSA-N 0 3 271.321 -1.891 20 0 CAADHN C[C@H]1C[C@@H](NCC(=O)NC(N)=O)CN1C(=O)c1cc[nH]n1 ZINC001382310617 888333583 /nfs/dbraw/zinc/33/35/83/888333583.db2.gz YKODVDYHRHVXAH-JGVFFNPUSA-N 0 3 294.315 -1.203 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCNC(N)=O ZINC001382319016 888334081 /nfs/dbraw/zinc/33/40/81/888334081.db2.gz UFYRRROKEYGDBK-YUMQZZPRSA-N 0 3 271.321 -1.891 20 0 CAADHN CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c1ccn[nH]1)N(C)C ZINC001382324907 888334932 /nfs/dbraw/zinc/33/49/32/888334932.db2.gz CLEUZCZTMCMNTJ-ONGXEEELSA-N 0 3 297.359 -1.043 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001382326500 888336193 /nfs/dbraw/zinc/33/61/93/888336193.db2.gz GKMYFKCXGMOURJ-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)C1CCOCC1)C(N)=O ZINC001382373825 888339260 /nfs/dbraw/zinc/33/92/60/888339260.db2.gz IDHVIZPLAZKFPQ-ONGXEEELSA-N 0 3 287.360 -1.304 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)C1CCOCC1)C(N)=O ZINC001382373823 888340426 /nfs/dbraw/zinc/34/04/26/888340426.db2.gz IDHVIZPLAZKFPQ-MWLCHTKSSA-N 0 3 287.360 -1.304 20 0 CAADHN CO[C@@H](C)CC(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001382389456 888342093 /nfs/dbraw/zinc/34/20/93/888342093.db2.gz OBAFYPWYZLBCRH-WDEREUQCSA-N 0 3 289.376 -1.092 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001382384044 888342294 /nfs/dbraw/zinc/34/22/94/888342294.db2.gz AVODVBAERUWQBQ-VIFPVBQESA-N 0 3 299.335 -2.830 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001382388870 888342546 /nfs/dbraw/zinc/34/25/46/888342546.db2.gz TYEQBHMFXIDIQK-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNCC(=O)NC(C)(C)C ZINC001382382756 888342770 /nfs/dbraw/zinc/34/27/70/888342770.db2.gz LLXSTDQHXZGJQW-JTQLQIEISA-N 0 3 289.376 -1.044 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](O)CNCc1cnn(C)c1 ZINC001382380774 888343015 /nfs/dbraw/zinc/34/30/15/888343015.db2.gz QJZXSPXOBZDYEJ-GFCCVEGCSA-N 0 3 297.359 -1.535 20 0 CAADHN Cc1ocnc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001382390542 888343284 /nfs/dbraw/zinc/34/32/84/888343284.db2.gz QHDWEQPYOLVPOV-VXNVDRBHSA-N 0 3 284.316 -1.121 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNCC(=O)N(C)C1CC1 ZINC001382386844 888343525 /nfs/dbraw/zinc/34/35/25/888343525.db2.gz QSCFQYVNZMFUCC-LLVKDONJSA-N 0 3 287.360 -1.338 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)CC(C)(C)O ZINC001382388208 888344089 /nfs/dbraw/zinc/34/40/89/888344089.db2.gz FCCLJZVHHQQLSW-JTQLQIEISA-N 0 3 289.376 -1.356 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@@](C)(O)C1CC1 ZINC001382391986 888344206 /nfs/dbraw/zinc/34/42/06/888344206.db2.gz WKCWHZIVWYOIAM-GXFFZTMASA-N 0 3 287.360 -1.568 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001382378468 888344355 /nfs/dbraw/zinc/34/43/55/888344355.db2.gz BTXFVDFGIKEBQV-ZJUUUORDSA-N 0 3 288.348 -2.789 20 0 CAADHN CCCC(=O)N(C)C[C@H](O)CNCC(=O)NC(=O)NC ZINC001382384317 888344917 /nfs/dbraw/zinc/34/49/17/888344917.db2.gz YQAGFMCOMYUHGT-SECBINFHSA-N 0 3 288.348 -1.349 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)C(F)F ZINC001382378412 888345110 /nfs/dbraw/zinc/34/51/10/888345110.db2.gz VXHKMFAYHLMZGB-QMMMGPOBSA-N 0 3 279.287 -1.061 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)c1cc[nH]n1 ZINC001382387258 888345791 /nfs/dbraw/zinc/34/57/91/888345791.db2.gz JWRUTODBDRNSAD-JTQLQIEISA-N 0 3 295.343 -1.336 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)COC1CCCC1 ZINC001382392792 888345995 /nfs/dbraw/zinc/34/59/95/888345995.db2.gz WPQCEKUHXQHGSY-SNVBAGLBSA-N 0 3 287.360 -1.160 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001382400902 888346630 /nfs/dbraw/zinc/34/66/30/888346630.db2.gz MTQASJONCLFRLQ-MJVIPROJSA-N 0 3 299.371 -1.432 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001382411472 888347472 /nfs/dbraw/zinc/34/74/72/888347472.db2.gz CMQKPFSUKIDFQH-VIFPVBQESA-N 0 3 297.315 -2.049 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001382400903 888347551 /nfs/dbraw/zinc/34/75/51/888347551.db2.gz MTQASJONCLFRLQ-WDMOLILDSA-N 0 3 299.371 -1.432 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001382407230 888347580 /nfs/dbraw/zinc/34/75/80/888347580.db2.gz ATUGTBNUSXSWHG-VHSXEESVSA-N 0 3 295.343 -1.371 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cc1ccn(C)n1)C(N)=O ZINC001382407167 888347735 /nfs/dbraw/zinc/34/77/35/888347735.db2.gz ALMOFPGPCNNKGK-ONGXEEELSA-N 0 3 297.359 -1.755 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)CC(C)(C)O)C(N)=O ZINC001382393693 888347913 /nfs/dbraw/zinc/34/79/13/888347913.db2.gz OEUHPJLKOIEISN-BDAKNGLRSA-N 0 3 275.349 -1.570 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1ccn(C)n1 ZINC001382410171 888347974 /nfs/dbraw/zinc/34/79/74/888347974.db2.gz YVYCUADWKCQFPL-LLVKDONJSA-N 0 3 297.359 -1.753 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)SC ZINC001382393712 888348686 /nfs/dbraw/zinc/34/86/86/888348686.db2.gz YSALFQGZZRXTTD-BDAKNGLRSA-N 0 3 277.390 -1.107 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001382407235 888348801 /nfs/dbraw/zinc/34/88/01/888348801.db2.gz ATUGTBNUSXSWHG-ZJUUUORDSA-N 0 3 295.343 -1.371 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1)C(N)=O ZINC001382407156 888349076 /nfs/dbraw/zinc/34/90/76/888349076.db2.gz ALMOFPGPCNNKGK-GXSJLCMTSA-N 0 3 297.359 -1.755 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)C1(C)CC1 ZINC001382398673 888349206 /nfs/dbraw/zinc/34/92/06/888349206.db2.gz FFGYTXHRGFDPJI-MRVPVSSYSA-N 0 3 286.332 -1.610 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001382410428 888349255 /nfs/dbraw/zinc/34/92/55/888349255.db2.gz KDLPDOOXYCLQCS-SNVBAGLBSA-N 0 3 297.359 -1.043 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)CC(C)(C)O)C(N)=O ZINC001382393696 888349519 /nfs/dbraw/zinc/34/95/19/888349519.db2.gz OEUHPJLKOIEISN-DTWKUNHWSA-N 0 3 275.349 -1.570 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001382410422 888350167 /nfs/dbraw/zinc/35/01/67/888350167.db2.gz KDLPDOOXYCLQCS-JTQLQIEISA-N 0 3 297.359 -1.043 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001382414314 888351065 /nfs/dbraw/zinc/35/10/65/888351065.db2.gz NAROPWHWQWNBIM-SSDOTTSWSA-N 0 3 285.304 -2.367 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001382420937 888351458 /nfs/dbraw/zinc/35/14/58/888351458.db2.gz HIHPEYHGXZLJJR-ZDCRXTMVSA-N 0 3 285.344 -1.552 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C1CC(OC)C1 ZINC001382418999 888351661 /nfs/dbraw/zinc/35/16/61/888351661.db2.gz QGZMEGVWDMJSAK-YVNMAJEFSA-N 0 3 287.360 -1.434 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001382413105 888351683 /nfs/dbraw/zinc/35/16/83/888351683.db2.gz DRGMNMDTQWRSHM-MRVPVSSYSA-N 0 3 284.320 -2.118 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cc2n(n1)CCO2 ZINC001382413978 888351804 /nfs/dbraw/zinc/35/18/04/888351804.db2.gz IWZZBRPMRLBDGN-QMMMGPOBSA-N 0 3 297.315 -2.217 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCCNC1=O)C(=O)c1cnon1 ZINC001382424275 888351888 /nfs/dbraw/zinc/35/18/88/888351888.db2.gz GXWCQJGPFBFCTK-DTWKUNHWSA-N 0 3 297.315 -1.629 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C1CC(OC)C1 ZINC001382418997 888351908 /nfs/dbraw/zinc/35/19/08/888351908.db2.gz QGZMEGVWDMJSAK-HSOILSAZSA-N 0 3 287.360 -1.434 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCCNC1=O)C(=O)c1cnon1 ZINC001382424278 888352147 /nfs/dbraw/zinc/35/21/47/888352147.db2.gz GXWCQJGPFBFCTK-IUCAKERBSA-N 0 3 297.315 -1.629 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001382413106 888352694 /nfs/dbraw/zinc/35/26/94/888352694.db2.gz DRGMNMDTQWRSHM-QMMMGPOBSA-N 0 3 284.320 -2.118 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001382419520 888352747 /nfs/dbraw/zinc/35/27/47/888352747.db2.gz CZNDFPGRAGXEDE-NSHDSACASA-N 0 3 297.359 -1.551 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1cnco1 ZINC001382413685 888353215 /nfs/dbraw/zinc/35/32/15/888353215.db2.gz RTSFMIOVMCHEJO-UWVGGRQHSA-N 0 3 296.327 -1.072 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001382414901 888353402 /nfs/dbraw/zinc/35/34/02/888353402.db2.gz IEELYQAMWARTBX-ZIQFBCGOSA-N 0 3 299.371 -1.448 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)CC1(O)CCC1 ZINC001382412712 888353534 /nfs/dbraw/zinc/35/35/34/888353534.db2.gz OYCBZBBSJLQOEO-QWRGUYRKSA-N 0 3 299.371 -1.411 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)CCn1ccnc1)C(N)=O ZINC001382415359 888353669 /nfs/dbraw/zinc/35/36/69/888353669.db2.gz VGQPPGUSOZLKHH-GHMZBOCLSA-N 0 3 297.359 -1.444 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CCC1(F)F ZINC001382414952 888354027 /nfs/dbraw/zinc/35/40/27/888354027.db2.gz JSBDDNFUSXIKAT-SFYZADRCSA-N 0 3 279.287 -1.074 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001382434011 888354806 /nfs/dbraw/zinc/35/48/06/888354806.db2.gz LWJVKUOHNOTYFF-BDAKNGLRSA-N 0 3 286.332 -2.580 20 0 CAADHN Cc1conc1C(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001382435151 888355144 /nfs/dbraw/zinc/35/51/44/888355144.db2.gz QCDRCRWZANFPQZ-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001382440049 888355519 /nfs/dbraw/zinc/35/55/19/888355519.db2.gz HTPDZKMRDJJHBT-VHSXEESVSA-N 0 3 297.359 -1.423 20 0 CAADHN CN(C[C@@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)c1nc[n-]n1 ZINC001382431808 888356196 /nfs/dbraw/zinc/35/61/96/888356196.db2.gz WASKDUADPNEATI-JGVFFNPUSA-N 0 3 282.304 -2.284 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001382428949 888356379 /nfs/dbraw/zinc/35/63/79/888356379.db2.gz PKFYOEITLOGCTQ-JTQLQIEISA-N 0 3 295.343 -1.413 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccn(C)n1)C(N)=O ZINC001382439966 888356485 /nfs/dbraw/zinc/35/64/85/888356485.db2.gz HIFIRNWCDYHIGV-RKDXNWHRSA-N 0 3 283.332 -1.684 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001382434014 888356675 /nfs/dbraw/zinc/35/66/75/888356675.db2.gz LWJVKUOHNOTYFF-IUCAKERBSA-N 0 3 286.332 -2.580 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)c1nc[nH]n1 ZINC001382431792 888357460 /nfs/dbraw/zinc/35/74/60/888357460.db2.gz VZBYDHWAMGRVJT-VIFPVBQESA-N 0 3 296.331 -1.894 20 0 CAADHN CN(C[C@@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)c1nc[n-]n1 ZINC001382431792 888357471 /nfs/dbraw/zinc/35/74/71/888357471.db2.gz VZBYDHWAMGRVJT-VIFPVBQESA-N 0 3 296.331 -1.894 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@H](O)CN(C)CCO)C1 ZINC001382451374 888357559 /nfs/dbraw/zinc/35/75/59/888357559.db2.gz BPXBKXYBLRQVND-GFCCVEGCSA-N 0 3 287.360 -1.792 20 0 CAADHN CN(C[C@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)c1nc[n-]n1 ZINC001382431810 888357950 /nfs/dbraw/zinc/35/79/50/888357950.db2.gz WASKDUADPNEATI-SFYZADRCSA-N 0 3 282.304 -2.284 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cc1ccc[nH]1)C(N)=O ZINC001382440027 888358389 /nfs/dbraw/zinc/35/83/89/888358389.db2.gz HRNOWQWGMIWJQA-GXSJLCMTSA-N 0 3 282.344 -1.160 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001382440046 888358870 /nfs/dbraw/zinc/35/88/70/888358870.db2.gz HTPDZKMRDJJHBT-UWVGGRQHSA-N 0 3 297.359 -1.423 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)CO[C@H]1CCOC1 ZINC001382463419 888360601 /nfs/dbraw/zinc/36/06/01/888360601.db2.gz NMNKAVMVULHXNS-RYUDHWBXSA-N 0 3 290.360 -1.465 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001382477756 888361365 /nfs/dbraw/zinc/36/13/65/888361365.db2.gz YJQYMCOWQDWESV-SNVBAGLBSA-N 0 3 286.336 -2.193 20 0 CAADHN COc1cncc(C(=O)N(C)C[C@@H](O)CN(C)CCO)n1 ZINC001382473721 888362180 /nfs/dbraw/zinc/36/21/80/888362180.db2.gz RVTZCPKYHMBGJI-JTQLQIEISA-N 0 3 298.343 -1.158 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](O)CN(C)CCO)C1 ZINC001382451375 888362593 /nfs/dbraw/zinc/36/25/93/888362593.db2.gz BPXBKXYBLRQVND-LBPRGKRZSA-N 0 3 287.360 -1.792 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001382466548 888363242 /nfs/dbraw/zinc/36/32/42/888363242.db2.gz SDTXLKMMUZVMDQ-VIFPVBQESA-N 0 3 271.321 -1.828 20 0 CAADHN C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001382466143 888363370 /nfs/dbraw/zinc/36/33/70/888363370.db2.gz VYGDPPJMKKDAQN-NXEZZACHSA-N 0 3 298.343 -1.072 20 0 CAADHN C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001382466143 888363382 /nfs/dbraw/zinc/36/33/82/888363382.db2.gz VYGDPPJMKKDAQN-NXEZZACHSA-N 0 3 298.343 -1.072 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001382460933 888363557 /nfs/dbraw/zinc/36/35/57/888363557.db2.gz KIYBEBGNQDWXTC-SNVBAGLBSA-N 0 3 284.316 -1.461 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NC(=O)c1ccn[nH]1)N(C)C ZINC001382495465 888365121 /nfs/dbraw/zinc/36/51/21/888365121.db2.gz RBBZBUSSZKSAMN-MWLCHTKSSA-N 0 3 297.359 -1.043 20 0 CAADHN Cc1nn[nH]c1C(=O)N(C)C[C@@H](O)CN(C)[C@@H](C)C(N)=O ZINC001382479927 888368860 /nfs/dbraw/zinc/36/88/60/888368860.db2.gz WDTJWFYNOROPBW-IUCAKERBSA-N 0 3 298.347 -1.648 20 0 CAADHN COCCN(CCNC(=O)c1nnn(C)n1)C[C@H](C)O ZINC001382582733 888373728 /nfs/dbraw/zinc/37/37/28/888373728.db2.gz ZUDKLRMIVFCRJQ-VIFPVBQESA-N 0 3 286.336 -1.731 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1ncc[nH]1)N(C)C ZINC001383916064 888406612 /nfs/dbraw/zinc/40/66/12/888406612.db2.gz XYENDJLBSLNSST-ZJUUUORDSA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@H](C(=O)N[C@H](CO)CNC(=O)c1ncc[nH]1)N(C)C ZINC001383916063 888406741 /nfs/dbraw/zinc/40/67/41/888406741.db2.gz XYENDJLBSLNSST-VHSXEESVSA-N 0 3 297.359 -1.043 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](CO)NC(=O)c1ncc[nH]1 ZINC001383934055 888409675 /nfs/dbraw/zinc/40/96/75/888409675.db2.gz XPXAOJZZVBRYJC-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1O)N(C)C ZINC001384733270 888430983 /nfs/dbraw/zinc/43/09/83/888430983.db2.gz XLRULESNGNWHDZ-GMTAPVOTSA-N 0 3 287.360 -1.339 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C1)N(C)C ZINC001385703413 888445236 /nfs/dbraw/zinc/44/52/36/888445236.db2.gz OKWJZVLGKVEWOT-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C1)N(C)C ZINC001385703406 888445865 /nfs/dbraw/zinc/44/58/65/888445865.db2.gz OKWJZVLGKVEWOT-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@H](C(=O)N1CC[C@H](NC(=O)CNC(N)=O)C1)N(C)C ZINC001386083178 888450380 /nfs/dbraw/zinc/45/03/80/888450380.db2.gz CKIOLAVZRQJFET-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@H](NC(=O)CNC(N)=O)C1)N(C)C ZINC001386083170 888451974 /nfs/dbraw/zinc/45/19/74/888451974.db2.gz CKIOLAVZRQJFET-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001386158347 888452000 /nfs/dbraw/zinc/45/20/00/888452000.db2.gz KDEQHDJROQFGFH-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CC[C@H](C(=O)NCCN(C)C(=O)CNC(N)=O)N(C)C ZINC001387016847 888476277 /nfs/dbraw/zinc/47/62/77/888476277.db2.gz TXXPWHOZKHKRSC-SECBINFHSA-N 0 3 287.364 -1.431 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001386999120 888476794 /nfs/dbraw/zinc/47/67/94/888476794.db2.gz ZCYALDRJIMXAMB-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](C)NC(=O)Cn1cnnn1)N(C)C ZINC001387147089 888483215 /nfs/dbraw/zinc/48/32/15/888483215.db2.gz YFGDAHQNBMMJIY-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN CC(=O)NCC(=O)NC1CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001387691796 888488616 /nfs/dbraw/zinc/48/86/16/888488616.db2.gz POMQUEJXSBKJLC-JTQLQIEISA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)[C@H]1CCCN1C ZINC001387710962 888491107 /nfs/dbraw/zinc/49/11/07/888491107.db2.gz LRITVRXZBVYQMF-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN CN(CCNC(=O)[C@@H]1COC(=O)N1)C(=O)[C@@H]1CCCN1C ZINC001387710961 888491522 /nfs/dbraw/zinc/49/15/22/888491522.db2.gz LRITVRXZBVYQMF-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN CC(C)N(C)CC(=O)NCCN(C)C(=O)Cn1ncnn1 ZINC001387803949 888495100 /nfs/dbraw/zinc/49/51/00/888495100.db2.gz LTISXWUIOGANOU-UHFFFAOYSA-N 0 3 297.363 -1.412 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1)N(C)C ZINC001387780767 888495659 /nfs/dbraw/zinc/49/56/59/888495659.db2.gz OSQRYETXMSYQSY-QWRGUYRKSA-N 0 3 296.371 -1.068 20 0 CAADHN CC(C)N(C)CC(=O)N(C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001388028981 888501074 /nfs/dbraw/zinc/50/10/74/888501074.db2.gz ODHDOLRMOGXLKK-JTQLQIEISA-N 0 3 299.375 -1.417 20 0 CAADHN CCCN(C)CC(=O)NCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001387949224 888502028 /nfs/dbraw/zinc/50/20/28/888502028.db2.gz JJESZHIPXHPQOE-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CC(C)N(C)CC(=O)N(C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001388028984 888503256 /nfs/dbraw/zinc/50/32/56/888503256.db2.gz ODHDOLRMOGXLKK-SNVBAGLBSA-N 0 3 299.375 -1.417 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@H](N(CCO)CCO)C2)nn1 ZINC001388775341 888513503 /nfs/dbraw/zinc/51/35/03/888513503.db2.gz FMMPWJGXOXBDOQ-NSHDSACASA-N 0 3 297.359 -1.294 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c1cn[nH]c1)N(C)C ZINC001389070574 888522594 /nfs/dbraw/zinc/52/25/94/888522594.db2.gz NODVHJADSSJARZ-MNOVXSKESA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1cn[nH]c1)N(C)C ZINC001389070578 888523282 /nfs/dbraw/zinc/52/32/82/888523282.db2.gz NODVHJADSSJARZ-QWRGUYRKSA-N 0 3 297.359 -1.043 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](O)CNC(=O)c1cnon1 ZINC001389091055 888525495 /nfs/dbraw/zinc/52/54/95/888525495.db2.gz CJEKVMMYBBHIDD-SECBINFHSA-N 0 3 299.331 -1.383 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](C)NC(=O)Cn1cnnn1)N(C)C ZINC001389134664 888530167 /nfs/dbraw/zinc/53/01/67/888530167.db2.gz YFGDAHQNBMMJIY-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN CN(CC(=O)N[C@H]1CCN(CCO)C1)S(C)(=O)=O ZINC001389451725 888549549 /nfs/dbraw/zinc/54/95/49/888549549.db2.gz KIJWDMQVWDOCAO-VIFPVBQESA-N 0 3 279.362 -1.939 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001389183305 888531559 /nfs/dbraw/zinc/53/15/59/888531559.db2.gz PUJSNHDXXWKQFG-JTQLQIEISA-N 0 3 298.343 -1.236 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001389212259 888534240 /nfs/dbraw/zinc/53/42/40/888534240.db2.gz ROPWXYRSNDHNBY-SNVBAGLBSA-N 0 3 298.343 -1.236 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)CCNC(N)=O)C1 ZINC001389188224 888535427 /nfs/dbraw/zinc/53/54/27/888535427.db2.gz MDJCFLFCYXGZOO-JTQLQIEISA-N 0 3 297.359 -1.534 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)CCNC(N)=O)C1 ZINC001389188226 888535550 /nfs/dbraw/zinc/53/55/50/888535550.db2.gz MDJCFLFCYXGZOO-SNVBAGLBSA-N 0 3 297.359 -1.534 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001389212258 888535877 /nfs/dbraw/zinc/53/58/77/888535877.db2.gz ROPWXYRSNDHNBY-JTQLQIEISA-N 0 3 298.343 -1.236 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001390286033 888573324 /nfs/dbraw/zinc/57/33/24/888573324.db2.gz DSWQDUUJHBYEMT-MRVPVSSYSA-N 0 3 279.362 -1.739 20 0 CAADHN NC(=O)NCCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001389192782 888536747 /nfs/dbraw/zinc/53/67/47/888536747.db2.gz XOQKTRBALRBCEM-UHFFFAOYSA-N 0 3 297.359 -1.532 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@@H](C)NCC(N)=O ZINC001390384294 888575954 /nfs/dbraw/zinc/57/59/54/888575954.db2.gz RUVPUMDYGFYEGG-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN CC[C@@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001389278361 888538514 /nfs/dbraw/zinc/53/85/14/888538514.db2.gz LAHDVAIZPIIUDZ-BBBLOLIVSA-N 0 3 299.375 -1.371 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001389258650 888539650 /nfs/dbraw/zinc/53/96/50/888539650.db2.gz BSLRRYPQMVJXSK-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CCN(C[C@H](O)COC)C1 ZINC001389444590 888546302 /nfs/dbraw/zinc/54/63/02/888546302.db2.gz BUKQIWPPUQCCIF-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H]1CCN(C[C@@H](C)O)C1 ZINC001389454157 888548090 /nfs/dbraw/zinc/54/80/90/888548090.db2.gz LUWDHMRGBGRPIW-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001389485229 888548195 /nfs/dbraw/zinc/54/81/95/888548195.db2.gz PRQGHKSMSBMGMV-NXEZZACHSA-N 0 3 298.343 -1.063 20 0 CAADHN CC[C@@H](C(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C1)N(C)C ZINC001389485645 888549132 /nfs/dbraw/zinc/54/91/32/888549132.db2.gz JHZISHGQHVIMMU-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CN(CC(=O)N[C@@H]1CCN(CCO)C1)S(C)(=O)=O ZINC001389451643 888549524 /nfs/dbraw/zinc/54/95/24/888549524.db2.gz KIJWDMQVWDOCAO-SECBINFHSA-N 0 3 279.362 -1.939 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001389454116 888551377 /nfs/dbraw/zinc/55/13/77/888551377.db2.gz LUWDHMRGBGRPIW-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001389564345 888553306 /nfs/dbraw/zinc/55/33/06/888553306.db2.gz NJXSYEPVSBZUMK-MNOVXSKESA-N 0 3 296.371 -1.115 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001389564381 888553452 /nfs/dbraw/zinc/55/34/52/888553452.db2.gz NJXSYEPVSBZUMK-WDEREUQCSA-N 0 3 296.371 -1.115 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](N[C@H](C)C(N)=O)C1CC1 ZINC001389568129 888553672 /nfs/dbraw/zinc/55/36/72/888553672.db2.gz FIYFKCBZXWVQCQ-LDYMZIIASA-N 0 3 284.360 -1.177 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C1)N(C)C ZINC001389507537 888553746 /nfs/dbraw/zinc/55/37/46/888553746.db2.gz JHZISHGQHVIMMU-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CN1CCCC1=O)C1CC1 ZINC001389552033 888554246 /nfs/dbraw/zinc/55/42/46/888554246.db2.gz KCNWXKZCMFLHMT-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001389564323 888554324 /nfs/dbraw/zinc/55/43/24/888554324.db2.gz NJXSYEPVSBZUMK-GHMZBOCLSA-N 0 3 296.371 -1.115 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001389515726 888554895 /nfs/dbraw/zinc/55/48/95/888554895.db2.gz UKDVKKVIFKTQJK-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)[C@H]1COCCO1)C1CC1 ZINC001389577213 888554955 /nfs/dbraw/zinc/55/49/55/888554955.db2.gz LOYVIFNKUHBYAV-NWDGAFQWSA-N 0 3 299.371 -1.026 20 0 CAADHN CC[C@H](C(=O)N[C@H]1CCN(CC(=O)NC(N)=O)C1)N(C)C ZINC001389507551 888555033 /nfs/dbraw/zinc/55/50/33/888555033.db2.gz JHZISHGQHVIMMU-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001389577211 888555077 /nfs/dbraw/zinc/55/50/77/888555077.db2.gz LOYVIFNKUHBYAV-NEPJUHHUSA-N 0 3 299.371 -1.026 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@H](NCC(=O)N(C)C)C1CC1 ZINC001389601148 888556256 /nfs/dbraw/zinc/55/62/56/888556256.db2.gz QTGQSNSZZYHXKE-WPRPVWTQSA-N 0 3 299.375 -1.384 20 0 CAADHN C[C@H](N[C@H](CNC(=O)CCNC(N)=O)C1CC1)C(N)=O ZINC001389699165 888556613 /nfs/dbraw/zinc/55/66/13/888556613.db2.gz XKHXQAFWVKFPPB-IONNQARKSA-N 0 3 285.348 -1.597 20 0 CAADHN CCN1C[C@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC1=O ZINC001389604148 888557110 /nfs/dbraw/zinc/55/71/10/888557110.db2.gz BADLGMBMKMCXGN-GHMZBOCLSA-N 0 3 296.371 -1.176 20 0 CAADHN Cn1cc(CCC(=O)NC[C@H](NCC(N)=O)C2CC2)nn1 ZINC001389693770 888557426 /nfs/dbraw/zinc/55/74/26/888557426.db2.gz POMYNIZOUXDEFK-NSHDSACASA-N 0 3 294.359 -1.283 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@H](NCC(=O)N(C)C)C1CC1 ZINC001389601139 888557865 /nfs/dbraw/zinc/55/78/65/888557865.db2.gz QTGQSNSZZYHXKE-WCBMZHEXSA-N 0 3 299.375 -1.384 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)CCNC(N)=O)C1CC1)C(N)=O ZINC001389699160 888557978 /nfs/dbraw/zinc/55/79/78/888557978.db2.gz XKHXQAFWVKFPPB-CBAPKCEASA-N 0 3 285.348 -1.597 20 0 CAADHN Cn1c(C(=O)NC[C@H](NCC(N)=O)C2CC2)cccc1=O ZINC001389659993 888558234 /nfs/dbraw/zinc/55/82/34/888558234.db2.gz IJERTYCRXDREAK-JTQLQIEISA-N 0 3 292.339 -1.031 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](NCC(N)=O)C2CC2)[nH]c1=O ZINC001389644717 888558533 /nfs/dbraw/zinc/55/85/33/888558533.db2.gz NGIKLPIRNRHJBE-MRVPVSSYSA-N 0 3 281.316 -1.291 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001389796684 888559153 /nfs/dbraw/zinc/55/91/53/888559153.db2.gz YVVZANWQWSRZTJ-QMMMGPOBSA-N 0 3 281.316 -1.324 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001389783755 888559600 /nfs/dbraw/zinc/55/96/00/888559600.db2.gz PIPHMBTYFXNIRS-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001389759552 888560311 /nfs/dbraw/zinc/56/03/11/888560311.db2.gz DKNCJSZBOLSEBS-CABZTGNLSA-N 0 3 296.371 -1.020 20 0 CAADHN COCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001389766190 888560386 /nfs/dbraw/zinc/56/03/86/888560386.db2.gz UAWVSMWEELTGBM-JTQLQIEISA-N 0 3 298.343 -1.189 20 0 CAADHN CO[C@@H](C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1)C1CC1 ZINC001389779074 888560400 /nfs/dbraw/zinc/56/04/00/888560400.db2.gz RIOXNIFZWFQYKC-GXSJLCMTSA-N 0 3 298.343 -1.203 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CNC(=O)N2CCCC2)C1 ZINC001389786074 888560538 /nfs/dbraw/zinc/56/05/38/888560538.db2.gz VKRNVLYJAKYXAT-JTQLQIEISA-N 0 3 297.359 -1.532 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001389773595 888560675 /nfs/dbraw/zinc/56/06/75/888560675.db2.gz OXVNTIPOFPYOIL-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001389786374 888560918 /nfs/dbraw/zinc/56/09/18/888560918.db2.gz YMKPIGJYDCRXEB-VIFPVBQESA-N 0 3 280.332 -1.408 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001389760547 888561009 /nfs/dbraw/zinc/56/10/09/888561009.db2.gz HKSAOYBSIQMELD-QMMMGPOBSA-N 0 3 294.315 -1.331 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001389781125 888561464 /nfs/dbraw/zinc/56/14/64/888561464.db2.gz VGQZYOFQXIMPQF-YUMQZZPRSA-N 0 3 270.289 -1.969 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001389793721 888561562 /nfs/dbraw/zinc/56/15/62/888561562.db2.gz SVJHAFMMTXHLTR-VIFPVBQESA-N 0 3 299.331 -3.086 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001389804222 888563043 /nfs/dbraw/zinc/56/30/43/888563043.db2.gz SANPMJBZLZPORG-VIFPVBQESA-N 0 3 295.299 -1.398 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001389813183 888563196 /nfs/dbraw/zinc/56/31/96/888563196.db2.gz AUGXHWGYWQKOSQ-UWVGGRQHSA-N 0 3 282.344 -1.456 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N1CC[C@H](NCCF)C1 ZINC001389803420 888563723 /nfs/dbraw/zinc/56/37/23/888563723.db2.gz SJIZTLJXTVCONH-VIFPVBQESA-N 0 3 296.368 -1.458 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001389818576 888564615 /nfs/dbraw/zinc/56/46/15/888564615.db2.gz PZFSOTVMISZEJW-QMMMGPOBSA-N 0 3 292.361 -2.446 20 0 CAADHN C[C@@H](C(=O)N[C@H]1C[C@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001389875389 888564648 /nfs/dbraw/zinc/56/46/48/888564648.db2.gz SAZKVQJYMUEMDB-FXQIFTODSA-N 0 3 277.346 -1.858 20 0 CAADHN CC(=O)N[C@H]1C[C@H](NCC(=O)NCC(=O)N2CCCC2)C1 ZINC001389826515 888564784 /nfs/dbraw/zinc/56/47/84/888564784.db2.gz HYCFAWJEIQBYPG-HAQNSBGRSA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001389936877 888567476 /nfs/dbraw/zinc/56/74/76/888567476.db2.gz OCVCJKGMQLPZJD-DTORHVGOSA-N 0 3 291.373 -1.596 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)CCNC(N)=O ZINC001390151498 888571997 /nfs/dbraw/zinc/57/19/97/888571997.db2.gz BYWIVBZBHLACFI-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001390293753 888572149 /nfs/dbraw/zinc/57/21/49/888572149.db2.gz LRKYQRMSZGRHCH-PSASIEDQSA-N 0 3 270.333 -1.553 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](C)NCC(=O)N1CCOCC1 ZINC001390285638 888572273 /nfs/dbraw/zinc/57/22/73/888572273.db2.gz DKPZZQZVUYWLQP-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001390279895 888572307 /nfs/dbraw/zinc/57/23/07/888572307.db2.gz CNTMZDMPZBSSEU-SSDOTTSWSA-N 0 3 287.320 -2.246 20 0 CAADHN CC(=O)NC[C@H](C)NCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001390272003 888572429 /nfs/dbraw/zinc/57/24/29/888572429.db2.gz DAJLNTKYNXHQTC-ONGXEEELSA-N 0 3 284.360 -1.176 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001390286034 888572617 /nfs/dbraw/zinc/57/26/17/888572617.db2.gz DSWQDUUJHBYEMT-QMMMGPOBSA-N 0 3 279.362 -1.739 20 0 CAADHN C[C@@H](NC[C@H]1CCCCN1C(=O)CCNC(N)=O)C(N)=O ZINC001390153132 888572762 /nfs/dbraw/zinc/57/27/62/888572762.db2.gz FICOFRFSKZAUTA-NXEZZACHSA-N 0 3 299.375 -1.111 20 0 CAADHN C[C@@H](NC[C@@H]1CCCCN1C(=O)CCNC(N)=O)C(N)=O ZINC001390153147 888572804 /nfs/dbraw/zinc/57/28/04/888572804.db2.gz FICOFRFSKZAUTA-ZJUUUORDSA-N 0 3 299.375 -1.111 20 0 CAADHN C[C@H](NC[C@@H]1CCCCN1C(=O)c1nnn(C)n1)C(N)=O ZINC001390146310 888573005 /nfs/dbraw/zinc/57/30/05/888573005.db2.gz PIVDSPHIEMITIO-IUCAKERBSA-N 0 3 295.347 -1.332 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001390293760 888573167 /nfs/dbraw/zinc/57/31/67/888573167.db2.gz LRKYQRMSZGRHCH-SCZZXKLOSA-N 0 3 270.333 -1.553 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1COCCO1 ZINC001390281145 888573363 /nfs/dbraw/zinc/57/33/63/888573363.db2.gz DOHJKAVJPUOWCT-VHSXEESVSA-N 0 3 273.333 -1.368 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001390281139 888573674 /nfs/dbraw/zinc/57/36/74/888573674.db2.gz DOHJKAVJPUOWCT-UWVGGRQHSA-N 0 3 273.333 -1.368 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)CCNC(N)=O ZINC001390151499 888573818 /nfs/dbraw/zinc/57/38/18/888573818.db2.gz BYWIVBZBHLACFI-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN C[C@H](NC[C@H]1CCCCN1C(=O)c1nnn(C)n1)C(N)=O ZINC001390146303 888573838 /nfs/dbraw/zinc/57/38/38/888573838.db2.gz PIVDSPHIEMITIO-DTWKUNHWSA-N 0 3 295.347 -1.332 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)N[C@@H]1CCNC1=O ZINC001390306339 888574709 /nfs/dbraw/zinc/57/47/09/888574709.db2.gz HKZBLYCDEYWJTN-WCBMZHEXSA-N 0 3 282.344 -1.505 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@@H](C)C(=O)N(C)C ZINC001390298323 888574820 /nfs/dbraw/zinc/57/48/20/888574820.db2.gz SRQUWEVGVAKSFZ-BDAKNGLRSA-N 0 3 283.336 -1.756 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001390331554 888576124 /nfs/dbraw/zinc/57/61/24/888576124.db2.gz UCCHQBAKVGWIEP-VHSXEESVSA-N 0 3 272.349 -1.843 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C1CC1)N[C@H]1CCN(C)C1=O ZINC001390333955 888576261 /nfs/dbraw/zinc/57/62/61/888576261.db2.gz YYQMWPZZWQFCFD-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)NCc1cnn(C)c1 ZINC001390382373 888576290 /nfs/dbraw/zinc/57/62/90/888576290.db2.gz MBANWUOAYHFKJS-VIFPVBQESA-N 0 3 278.320 -1.299 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001390351299 888576392 /nfs/dbraw/zinc/57/63/92/888576392.db2.gz NZFWYZAQPPQABT-RKDXNWHRSA-N 0 3 284.360 -1.307 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cnc(N(C)C)cn1 ZINC001390390424 888576451 /nfs/dbraw/zinc/57/64/51/888576451.db2.gz VGYVRXAJWFLUOO-VIFPVBQESA-N 0 3 294.359 -1.004 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001390370467 888576853 /nfs/dbraw/zinc/57/68/53/888576853.db2.gz SCEJWUQIPOGIDJ-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)NCc1cnn(C)c1 ZINC001390382366 888576992 /nfs/dbraw/zinc/57/69/92/888576992.db2.gz MBANWUOAYHFKJS-SECBINFHSA-N 0 3 278.320 -1.299 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)NCC(=O)NC1CC1 ZINC001390332101 888577833 /nfs/dbraw/zinc/57/78/33/888577833.db2.gz VNRGTOQXXKMDLC-PWSUYJOCSA-N 0 3 298.387 -1.310 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN(C)C(=O)C1CC1 ZINC001390397577 888577876 /nfs/dbraw/zinc/57/78/76/888577876.db2.gz GPSCGARLBSIBLC-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001390373759 888577951 /nfs/dbraw/zinc/57/79/51/888577951.db2.gz VGQGTRRAFDKIND-DTWKUNHWSA-N 0 3 285.348 -1.712 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001390370471 888578094 /nfs/dbraw/zinc/57/80/94/888578094.db2.gz SCEJWUQIPOGIDJ-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001390339832 888578283 /nfs/dbraw/zinc/57/82/83/888578283.db2.gz KRVGDUHBRLBNIZ-BDAKNGLRSA-N 0 3 271.317 -1.220 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001390329491 888578296 /nfs/dbraw/zinc/57/82/96/888578296.db2.gz QTJDTNFZEHGHPY-ZCFIWIBFSA-N 0 3 283.288 -1.114 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ncn(C)n1 ZINC001390354604 888578752 /nfs/dbraw/zinc/57/87/52/888578752.db2.gz BIZJOBQIDTXGNH-ZETCQYMHSA-N 0 3 297.319 -2.021 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)N[C@H]1CCN(C)C1=O ZINC001390333965 888579064 /nfs/dbraw/zinc/57/90/64/888579064.db2.gz YYQMWPZZWQFCFD-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001390454028 888580004 /nfs/dbraw/zinc/58/00/04/888580004.db2.gz KELVCYHSLSFWNA-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001390428978 888580276 /nfs/dbraw/zinc/58/02/76/888580276.db2.gz BQEUUDHKCZQUDY-MRVPVSSYSA-N 0 3 296.327 -1.163 20 0 CAADHN C[C@@H](CNC(=O)CCc1ccon1)NCC(=O)NC(N)=O ZINC001390436364 888581944 /nfs/dbraw/zinc/58/19/44/888581944.db2.gz KILFGCFLRMZLOR-QMMMGPOBSA-N 0 3 297.315 -1.104 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001390454793 888582329 /nfs/dbraw/zinc/58/23/29/888582329.db2.gz NDODIYHQEUNBQN-RKDXNWHRSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@@H](CNC(=O)c1cnco1)N[C@@H](C)C(=O)NC(N)=O ZINC001390451676 888583046 /nfs/dbraw/zinc/58/30/46/888583046.db2.gz AWKVVCZTYSTQHG-BQBZGAKWSA-N 0 3 283.288 -1.034 20 0 CAADHN C[C@@H](CNC(=O)Cc1nc2ncccn2n1)NCC(N)=O ZINC001390518736 888584051 /nfs/dbraw/zinc/58/40/51/888584051.db2.gz HNBHZPIWPQVCKD-QMMMGPOBSA-N 0 3 291.315 -1.754 20 0 CAADHN C[C@H](CNC(=O)c1cccc(=O)n1C)N[C@@H](C)C(N)=O ZINC001390478759 888584314 /nfs/dbraw/zinc/58/43/14/888584314.db2.gz KLKYDCMIACBDLN-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CNC(=O)c1cnon1)NCCS(C)(=O)=O ZINC001390487265 888584586 /nfs/dbraw/zinc/58/45/86/888584586.db2.gz HDMGEXZVVNFCLD-SSDOTTSWSA-N 0 3 276.318 -1.178 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CCc1cnn(C)n1 ZINC001390472985 888584733 /nfs/dbraw/zinc/58/47/33/888584733.db2.gz CKWCMIDEXVZTAZ-SNVBAGLBSA-N 0 3 296.375 -1.022 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@H]1CCCNC1=O ZINC001390467025 888585185 /nfs/dbraw/zinc/58/51/85/888585185.db2.gz VCOYOHFHRCUJHM-IUCAKERBSA-N 0 3 293.327 -1.244 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001390481251 888585339 /nfs/dbraw/zinc/58/53/39/888585339.db2.gz LJTNVWNARRJKOZ-SFYZADRCSA-N 0 3 299.331 -2.185 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001390481262 888585587 /nfs/dbraw/zinc/58/55/87/888585587.db2.gz LJTNVWNARRJKOZ-YUMQZZPRSA-N 0 3 299.331 -2.185 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N1CCC1 ZINC001390463290 888585640 /nfs/dbraw/zinc/58/56/40/888585640.db2.gz IRNJYMZNDNVKMR-BDAKNGLRSA-N 0 3 283.332 -2.006 20 0 CAADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)N[C@@H](C)C(N)=O ZINC001390478782 888585822 /nfs/dbraw/zinc/58/58/22/888585822.db2.gz KLKYDCMIACBDLN-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CNC(=O)[C@@]1(C)CCOC1)NCC(=O)NC(N)=O ZINC001390493191 888585851 /nfs/dbraw/zinc/58/58/51/888585851.db2.gz IDJAUCYMTXPOMU-UFBFGSQYSA-N 0 3 286.332 -1.298 20 0 CAADHN CCn1nc(C(=O)NC[C@@H](C)NCC(=O)NC)ccc1=O ZINC001390486368 888585961 /nfs/dbraw/zinc/58/59/61/888585961.db2.gz DGVRLTFQCRFXRY-SECBINFHSA-N 0 3 295.343 -1.283 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCc2nn[nH]c21)NCC(N)=O ZINC001390467874 888586028 /nfs/dbraw/zinc/58/60/28/888586028.db2.gz WFOCCPLOZTUSAJ-YUMQZZPRSA-N 0 3 280.332 -1.196 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N(C)C ZINC001390467078 888586186 /nfs/dbraw/zinc/58/61/86/888586186.db2.gz PIPCXYMLEYNKQZ-YUMQZZPRSA-N 0 3 271.321 -2.150 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cccn(C)c1=O)C(N)=O ZINC001390517967 888586277 /nfs/dbraw/zinc/58/62/77/888586277.db2.gz UVZJAFOZMMSGPD-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@@H]1CCCNC1=O ZINC001390467027 888586335 /nfs/dbraw/zinc/58/63/35/888586335.db2.gz VCOYOHFHRCUJHM-RKDXNWHRSA-N 0 3 293.327 -1.244 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N(C)C ZINC001390467062 888586351 /nfs/dbraw/zinc/58/63/51/888586351.db2.gz PIPCXYMLEYNKQZ-HTQZYQBOSA-N 0 3 271.321 -2.150 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCc2nn[nH]c21)NCC(N)=O ZINC001390467865 888586888 /nfs/dbraw/zinc/58/68/88/888586888.db2.gz WFOCCPLOZTUSAJ-HTQZYQBOSA-N 0 3 280.332 -1.196 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001390529503 888587842 /nfs/dbraw/zinc/58/78/42/888587842.db2.gz XHDIRBWVQUOTGF-JGVFFNPUSA-N 0 3 281.316 -1.638 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CCNC(N)=O)C(N)=O ZINC001390530131 888588312 /nfs/dbraw/zinc/58/83/12/888588312.db2.gz QMXKEZCKVYKWMY-SFYZADRCSA-N 0 3 273.337 -1.597 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)NCC(N)=O ZINC001390533098 888589086 /nfs/dbraw/zinc/58/90/86/888589086.db2.gz OWIVTJBGJFEWTA-RNFRBKRXSA-N 0 3 278.334 -2.742 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001390558643 888589323 /nfs/dbraw/zinc/58/93/23/888589323.db2.gz ZYUVXISHONBGOC-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCc2nnc[n-]2)C1 ZINC001390583867 888589410 /nfs/dbraw/zinc/58/94/10/888589410.db2.gz NHQKBDXKYYCVJT-SECBINFHSA-N 0 3 280.332 -1.339 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CC[C@H](NCC(=O)NC)C2)C1 ZINC001390577816 888589504 /nfs/dbraw/zinc/58/95/04/888589504.db2.gz VFOUCIXTGYEOCP-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N[C@H](C)C(N)=O ZINC001390529310 888589598 /nfs/dbraw/zinc/58/95/98/888589598.db2.gz XHDIRBWVQUOTGF-HTQZYQBOSA-N 0 3 281.316 -1.638 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001390555656 888589746 /nfs/dbraw/zinc/58/97/46/888589746.db2.gz GPFUGEOUEGAGNE-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001390533972 888590213 /nfs/dbraw/zinc/59/02/13/888590213.db2.gz YJDSMXFFCBCMDG-ZETCQYMHSA-N 0 3 294.315 -1.971 20 0 CAADHN CS(=O)(=O)CCN[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001390566723 888590238 /nfs/dbraw/zinc/59/02/38/888590238.db2.gz QNZZGQWGBNJSLS-QMMMGPOBSA-N 0 3 288.329 -1.082 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CCNC(N)=O)C(N)=O ZINC001390530128 888590535 /nfs/dbraw/zinc/59/05/35/888590535.db2.gz QMXKEZCKVYKWMY-JGVFFNPUSA-N 0 3 273.337 -1.597 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001390761949 888602462 /nfs/dbraw/zinc/60/24/62/888602462.db2.gz SBTBPDISBBNNEG-QWRGUYRKSA-N 0 3 287.360 -1.480 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CS(=O)(=O)CC)C(N)=O ZINC001391227051 888621688 /nfs/dbraw/zinc/62/16/88/888621688.db2.gz QZNOGOSKUCAUTJ-VIFPVBQESA-N 0 3 293.389 -1.267 20 0 CAADHN CN(CCO)CCNC(=O)c1cn(C[C@H]2CCOC2)nn1 ZINC001390841313 888604953 /nfs/dbraw/zinc/60/49/53/888604953.db2.gz KGAVDPHOAJWALE-LLVKDONJSA-N 0 3 297.359 -1.032 20 0 CAADHN CCN(CCNC(=O)[C@H]1COC(=O)N1)C[C@H](O)COC ZINC001390892032 888606591 /nfs/dbraw/zinc/60/65/91/888606591.db2.gz KLWAIDXQJDSPKL-VHSXEESVSA-N 0 3 289.332 -1.460 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001390861805 888607177 /nfs/dbraw/zinc/60/71/77/888607177.db2.gz ROGIYSHMOXSPCO-UWVGGRQHSA-N 0 3 293.389 -1.239 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)Cc1nonc1C ZINC001390836874 888607269 /nfs/dbraw/zinc/60/72/69/888607269.db2.gz IOLJVDSDWXLJSS-SNVBAGLBSA-N 0 3 286.332 -1.024 20 0 CAADHN CN(CCO)CCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001390841324 888607365 /nfs/dbraw/zinc/60/73/65/888607365.db2.gz KGAVDPHOAJWALE-NSHDSACASA-N 0 3 297.359 -1.032 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001390861773 888607725 /nfs/dbraw/zinc/60/77/25/888607725.db2.gz ROGIYSHMOXSPCO-NXEZZACHSA-N 0 3 293.389 -1.239 20 0 CAADHN CCN(CCO)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001390911702 888608224 /nfs/dbraw/zinc/60/82/24/888608224.db2.gz ZUPUQFLLIYBKJL-UHFFFAOYSA-N 0 3 284.320 -2.193 20 0 CAADHN CCN(CCNC(=O)[C@@H]1CNC(=O)N1)C[C@H](O)COC ZINC001390961960 888612344 /nfs/dbraw/zinc/61/23/44/888612344.db2.gz PGORJAUXTIODEX-UWVGGRQHSA-N 0 3 288.348 -1.887 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001391205108 888613931 /nfs/dbraw/zinc/61/39/31/888613931.db2.gz ZTKORXHHDUCCGV-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CCC(=O)NC1 ZINC001391199845 888614440 /nfs/dbraw/zinc/61/44/40/888614440.db2.gz HHRYYONPFCGZGS-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001391199853 888614500 /nfs/dbraw/zinc/61/45/00/888614500.db2.gz HHRYYONPFCGZGS-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@H]1CCN(C)C1=O)C(N)=O ZINC001391203071 888615753 /nfs/dbraw/zinc/61/57/53/888615753.db2.gz AAMZXPPTKDQION-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN O=C(NCCN(CCCO)C1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001391192777 888615867 /nfs/dbraw/zinc/61/58/67/888615867.db2.gz VSYJTUHIXKDCTA-JTQLQIEISA-N 0 3 298.343 -1.453 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)c1nccnc1N)C(N)=O ZINC001391205237 888617193 /nfs/dbraw/zinc/61/71/93/888617193.db2.gz AVPWYUJFKLZZIM-MRVPVSSYSA-N 0 3 280.332 -1.016 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cc1cc[nH]n1)C(=O)NC(N)=O ZINC001391211886 888618262 /nfs/dbraw/zinc/61/82/62/888618262.db2.gz KRJTZLNGYIHOPS-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1CCNC(=O)C1)C(N)=O ZINC001391205242 888618303 /nfs/dbraw/zinc/61/83/03/888618303.db2.gz AWFMIWHKNVGOSI-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)NCC(=O)NCC[C@@H]1CCN([C@@H](C)C(N)=O)C1 ZINC001391306836 888618383 /nfs/dbraw/zinc/61/83/83/888618383.db2.gz DGUWVXICQHXMAH-VHSXEESVSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCCC(=O)N1C)C(N)=O ZINC001391231157 888618614 /nfs/dbraw/zinc/61/86/14/888618614.db2.gz WATXHVBECJXJIV-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001391209929 888618789 /nfs/dbraw/zinc/61/87/89/888618789.db2.gz OHXQHMLFOMZYGW-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2COC(=O)N2)C1 ZINC001391303572 888619144 /nfs/dbraw/zinc/61/91/44/888619144.db2.gz WPOGPNWTAVDWMS-VHSXEESVSA-N 0 3 298.343 -1.331 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1COCCO1)C(=O)N(C)C ZINC001391207422 888619274 /nfs/dbraw/zinc/61/92/74/888619274.db2.gz IIKZEGWSPHIBEP-WDEREUQCSA-N 0 3 287.360 -1.074 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cc1cc[nH]n1)C(=O)NC(N)=O ZINC001391211883 888619414 /nfs/dbraw/zinc/61/94/14/888619414.db2.gz KRJTZLNGYIHOPS-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN Cc1nn(CC(=O)N(C)CCN[C@@H](C)C(N)=O)c(=O)n1C ZINC001391232939 888619569 /nfs/dbraw/zinc/61/95/69/888619569.db2.gz YKPTXXMDMFJECR-QMMMGPOBSA-N 0 3 298.347 -2.188 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CNC(=O)C1CC1)C(N)=O ZINC001391217537 888619948 /nfs/dbraw/zinc/61/99/48/888619948.db2.gz WBEWZWUSCPAZFP-JTQLQIEISA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001391208847 888619964 /nfs/dbraw/zinc/61/99/64/888619964.db2.gz NNOHYBDMOXRSLI-SECBINFHSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)NCC(=O)NCC[C@H]1CCN([C@@H](C)C(N)=O)C1 ZINC001391306833 888619980 /nfs/dbraw/zinc/61/99/80/888619980.db2.gz DGUWVXICQHXMAH-UWVGGRQHSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1COCCO1)C(=O)N(C)C ZINC001391207405 888619990 /nfs/dbraw/zinc/61/99/90/888619990.db2.gz IIKZEGWSPHIBEP-MNOVXSKESA-N 0 3 287.360 -1.074 20 0 CAADHN CCn1nc(C(=O)N(C)CCN[C@@H](C)C(N)=O)ccc1=O ZINC001391218043 888620078 /nfs/dbraw/zinc/62/00/78/888620078.db2.gz WCJLZJBGQQAACM-VIFPVBQESA-N 0 3 295.343 -1.201 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cc[nH]n1)C(=O)NC(N)=O ZINC001391219151 888620142 /nfs/dbraw/zinc/62/01/42/888620142.db2.gz WXKIMMHWDBSDNK-SSDOTTSWSA-N 0 3 282.304 -1.345 20 0 CAADHN CNC(=O)CCCC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001391215419 888620294 /nfs/dbraw/zinc/62/02/94/888620294.db2.gz QJDQDMBHNDLYNB-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)C[C@H](C)NC(N)=O)C(N)=O ZINC001391210609 888620360 /nfs/dbraw/zinc/62/03/60/888620360.db2.gz QNVDKMOXWPPUBL-DTWKUNHWSA-N 0 3 287.364 -1.255 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@H]1CCN(C)C1=O ZINC001391215080 888620554 /nfs/dbraw/zinc/62/05/54/888620554.db2.gz WPMVLLCQPXYSSV-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN COC[C@@H](OC)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001391220288 888621042 /nfs/dbraw/zinc/62/10/42/888621042.db2.gz QVVYRTBIXVYUJX-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001391209051 888621101 /nfs/dbraw/zinc/62/11/01/888621101.db2.gz AOZKWVYIVDGKII-ZETCQYMHSA-N 0 3 295.365 -3.038 20 0 CAADHN CC[C@H](NCCN(C)C(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001391226062 888621257 /nfs/dbraw/zinc/62/12/57/888621257.db2.gz JUZOQGVESLLJSC-QMMMGPOBSA-N 0 3 281.316 -1.305 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001391208926 888621553 /nfs/dbraw/zinc/62/15/53/888621553.db2.gz AOZKWVYIVDGKII-SSDOTTSWSA-N 0 3 295.365 -3.038 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2COC(=O)N2)C1 ZINC001391303562 888621577 /nfs/dbraw/zinc/62/15/77/888621577.db2.gz WPOGPNWTAVDWMS-NXEZZACHSA-N 0 3 298.343 -1.331 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)c1nccnc1N ZINC001391213558 888621706 /nfs/dbraw/zinc/62/17/06/888621706.db2.gz NIJDGSQXEQDVIK-SECBINFHSA-N 0 3 292.343 -1.001 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)CCNC(N)=O)CC1 ZINC001391364157 888626165 /nfs/dbraw/zinc/62/61/65/888626165.db2.gz GSTCBWQNDRQUNX-UHFFFAOYSA-N 0 3 299.375 -1.300 20 0 CAADHN COC[C@@H](O)CN1CC(NC(=O)c2[nH]ncc2F)C1 ZINC001391443873 888627506 /nfs/dbraw/zinc/62/75/06/888627506.db2.gz CUIQKUZJKAUVTE-QMMMGPOBSA-N 0 3 272.280 -1.030 20 0 CAADHN COCC(=O)NCC1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001391468190 888631641 /nfs/dbraw/zinc/63/16/41/888631641.db2.gz RUFMSPVUJYALHU-GFCCVEGCSA-N 0 3 282.344 -1.062 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)Cc2nonc2C)C1 ZINC001391512229 888634342 /nfs/dbraw/zinc/63/43/42/888634342.db2.gz SKUPWCLHJMQBEC-LLVKDONJSA-N 0 3 298.343 -1.024 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)Cn2ccnc2)C1 ZINC001391511652 888634414 /nfs/dbraw/zinc/63/44/14/888634414.db2.gz AZWYUDTVCROWSU-GFCCVEGCSA-N 0 3 282.344 -1.062 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)CCn2cnnn2)C1 ZINC001391520787 888634542 /nfs/dbraw/zinc/63/45/42/888634542.db2.gz XIZCTCCDHLUFBN-LLVKDONJSA-N 0 3 298.347 -1.882 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001391546537 888635229 /nfs/dbraw/zinc/63/52/29/888635229.db2.gz CMFXQKUTEDNHGQ-WOPDTQHZSA-N 0 3 299.371 -1.290 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001391584800 888638309 /nfs/dbraw/zinc/63/83/09/888638309.db2.gz AEZPBFQVJSPDNK-SECBINFHSA-N 0 3 294.377 -2.387 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(CCCF)C1 ZINC001391587973 888638634 /nfs/dbraw/zinc/63/86/34/888638634.db2.gz VSYIBYMWMPIHSG-SECBINFHSA-N 0 3 296.368 -1.410 20 0 CAADHN CC[C@@H](CNC(=O)c1ccn[nH]1)NCC(=O)NC(=O)NC ZINC001391671550 888638316 /nfs/dbraw/zinc/63/83/16/888638316.db2.gz KEDMGGANQJADNF-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CC(=O)N(CC)C1)NCC(N)=O ZINC001391682562 888638329 /nfs/dbraw/zinc/63/83/29/888638329.db2.gz KOEVENLMNRIBKV-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](CNC(=O)c1cn(C)cn1)NCC(=O)NC(N)=O ZINC001391681080 888638506 /nfs/dbraw/zinc/63/85/06/888638506.db2.gz KJWQWKDNIVLYSG-MRVPVSSYSA-N 0 3 296.331 -1.287 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001391611077 888638886 /nfs/dbraw/zinc/63/88/86/888638886.db2.gz BWOTVDOEKOHGSV-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)C1CC1)NCC(N)=O ZINC001391666851 888638926 /nfs/dbraw/zinc/63/89/26/888638926.db2.gz BZRRNAMMVOTWLK-VIFPVBQESA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)NC ZINC001391666492 888639521 /nfs/dbraw/zinc/63/95/21/888639521.db2.gz RAKXUDCABFZQFB-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN CCN(C(=O)Cn1ncnn1)[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001391643149 888640054 /nfs/dbraw/zinc/64/00/54/888640054.db2.gz NOYYXMYGAYBVTR-GHMZBOCLSA-N 0 3 282.348 -1.023 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)CNC(=O)OC ZINC001391673014 888640648 /nfs/dbraw/zinc/64/06/48/888640648.db2.gz ZTTAFKPCNBWXHU-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CC[C@H](CNC(=O)CS(C)(=O)=O)N[C@H](CC)C(N)=O ZINC001391666079 888640957 /nfs/dbraw/zinc/64/09/57/888640957.db2.gz KTEMOWWCZWLFAV-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](CC)CNC(=O)COC ZINC001391657955 888641077 /nfs/dbraw/zinc/64/10/77/888641077.db2.gz MGNYKSHYZUMGOH-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001391578573 888641202 /nfs/dbraw/zinc/64/12/02/888641202.db2.gz QLWGBIPQJRCTLA-TUAOUCFPSA-N 0 3 299.371 -1.338 20 0 CAADHN CC[C@@H](N[C@@H](CC)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001391666071 888641372 /nfs/dbraw/zinc/64/13/72/888641372.db2.gz KTEMOWWCZWLFAV-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCc1n[nH]c(C)n1 ZINC001391714135 888642591 /nfs/dbraw/zinc/64/25/91/888642591.db2.gz AELLDOYNZSANID-DTWKUNHWSA-N 0 3 295.347 -1.221 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)N[C@H]1CCN(C)C1=O ZINC001391693304 888642766 /nfs/dbraw/zinc/64/27/66/888642766.db2.gz ONMPPUTVFQQXMG-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CC[C@@H](CNC(=O)c1cc(=O)c(OC)c[nH]1)NCC(N)=O ZINC001391702517 888643031 /nfs/dbraw/zinc/64/30/31/888643031.db2.gz AORSLRGXIODDEB-QMMMGPOBSA-N 0 3 296.327 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(=O)NC ZINC001391723525 888643199 /nfs/dbraw/zinc/64/31/99/888643199.db2.gz ZVBXQXWDUFPSDU-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)N[C@H](C)C(=O)NC ZINC001391688342 888643266 /nfs/dbraw/zinc/64/32/66/888643266.db2.gz DRWLDQBCPMFGKU-RKDXNWHRSA-N 0 3 283.336 -1.708 20 0 CAADHN CC[C@@H](CNC(=O)C[C@@H]1CCNC1=O)NCC(N)=O ZINC001391692673 888643333 /nfs/dbraw/zinc/64/33/33/888643333.db2.gz GJCLZNYLQUFHFB-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)NCC(N)=O ZINC001391705203 888643371 /nfs/dbraw/zinc/64/33/71/888643371.db2.gz VWLHCKPJDYHPPA-QMMMGPOBSA-N 0 3 297.315 -2.081 20 0 CAADHN CC[C@@H](CNC(=O)c1ccnnc1)NCC(=O)NC(N)=O ZINC001391724454 888643456 /nfs/dbraw/zinc/64/34/56/888643456.db2.gz JHVKKTKLSOQNQR-VIFPVBQESA-N 0 3 294.315 -1.231 20 0 CAADHN Cn1cc(C(=O)NC2(CNCC(N)=O)CCCC2)nn1 ZINC001391761326 888644640 /nfs/dbraw/zinc/64/46/40/888644640.db2.gz VRZOWJPBKRSDEM-UHFFFAOYSA-N 0 3 280.332 -1.067 20 0 CAADHN CC[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H]1CCNC1=O ZINC001391736002 888644935 /nfs/dbraw/zinc/64/49/35/888644935.db2.gz KURONMMUBDSDAD-IUCAKERBSA-N 0 3 280.332 -1.280 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)NCC(N)=O ZINC001391703135 888644972 /nfs/dbraw/zinc/64/49/72/888644972.db2.gz NIODWTGPZWXVQZ-RKDXNWHRSA-N 0 3 291.373 -1.609 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)NCC(=O)NC(C)C ZINC001391723917 888644993 /nfs/dbraw/zinc/64/49/93/888644993.db2.gz XHACAQOOQMGUBG-SECBINFHSA-N 0 3 297.363 -1.167 20 0 CAADHN CC[C@@H](CNC(=O)C[C@H]1CCNC1=O)NCC(N)=O ZINC001391692670 888645072 /nfs/dbraw/zinc/64/50/72/888645072.db2.gz GJCLZNYLQUFHFB-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](CNC(=O)c1ccc(=O)n(C)n1)N[C@@H](C)C(N)=O ZINC001391743248 888645085 /nfs/dbraw/zinc/64/50/85/888645085.db2.gz MURMFJYBFOIORA-DTWKUNHWSA-N 0 3 295.343 -1.248 20 0 CAADHN CC[C@H](CNC(=O)c1cncn1C)NCC(=O)NC(N)=O ZINC001391704824 888645124 /nfs/dbraw/zinc/64/51/24/888645124.db2.gz TUWQYBCMWRWFLP-MRVPVSSYSA-N 0 3 296.331 -1.287 20 0 CAADHN C[C@@H](CNCc1ccn(C)n1)CNC(=O)Cn1ncnn1 ZINC001391887193 888646150 /nfs/dbraw/zinc/64/61/50/888646150.db2.gz LNGUOLJMGWGYGD-JTQLQIEISA-N 0 3 292.347 -1.051 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)c1nccnc1N ZINC001391854766 888646578 /nfs/dbraw/zinc/64/65/78/888646578.db2.gz GEERMQOTFRTFJV-SECBINFHSA-N 0 3 292.343 -1.001 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001391816243 888646736 /nfs/dbraw/zinc/64/67/36/888646736.db2.gz OLPKSXLIMHYMFA-NOZJJQNGSA-N 0 3 297.359 -1.712 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001391786206 888646788 /nfs/dbraw/zinc/64/67/88/888646788.db2.gz JWAFIRTZVXOAKB-RNCFNFMXSA-N 0 3 282.344 -1.375 20 0 CAADHN Cn1ncc(CCC(=O)N2CCC[C@@H]2CNCC(N)=O)n1 ZINC001391867076 888646818 /nfs/dbraw/zinc/64/68/18/888646818.db2.gz WPMGKVBTSUQHMV-LLVKDONJSA-N 0 3 294.359 -1.186 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)c1nnn(C)n1)C(N)=O ZINC001391861409 888647069 /nfs/dbraw/zinc/64/70/69/888647069.db2.gz HRELIRUYVMVDLA-JGVFFNPUSA-N 0 3 281.320 -1.722 20 0 CAADHN CS(=O)(=O)CCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001391859148 888647755 /nfs/dbraw/zinc/64/77/55/888647755.db2.gz GBMFPHYSYAZJQJ-SECBINFHSA-N 0 3 291.373 -1.513 20 0 CAADHN CC[C@@H]([NH2+]C[C@H](C)CNC(=O)Cc1nnc[n-]1)C(N)=O ZINC001391948170 888649705 /nfs/dbraw/zinc/64/97/05/888649705.db2.gz HZBPAKXMVJHKHM-DTWKUNHWSA-N 0 3 282.348 -1.047 20 0 CAADHN CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc1nnc[n-]1)C(N)=O ZINC001391948178 888650545 /nfs/dbraw/zinc/65/05/45/888650545.db2.gz HZBPAKXMVJHKHM-RKDXNWHRSA-N 0 3 282.348 -1.047 20 0 CAADHN COCC(=O)NC[C@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC001391980557 888652707 /nfs/dbraw/zinc/65/27/07/888652707.db2.gz VZOGWBDLLHCBIV-JQWIXIFHSA-N 0 3 289.376 -1.188 20 0 CAADHN C[C@@H](CC(=O)NCC1(NCC(N)=O)CCCC1)NC(N)=O ZINC001392008189 888656142 /nfs/dbraw/zinc/65/61/42/888656142.db2.gz QFRFCOSFHGHYAM-VIFPVBQESA-N 0 3 299.375 -1.063 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001392027705 888658285 /nfs/dbraw/zinc/65/82/85/888658285.db2.gz YUMWRCYZPYRJDE-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)COC ZINC001392026563 888658321 /nfs/dbraw/zinc/65/83/21/888658321.db2.gz NSOOKRHFMQVOLY-QMMMGPOBSA-N 0 3 274.321 -1.475 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CN1CCCC1=O ZINC001392038674 888658723 /nfs/dbraw/zinc/65/87/23/888658723.db2.gz KCSZURUDSDYYTF-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CN1CCCC1=O ZINC001392038677 888659239 /nfs/dbraw/zinc/65/92/39/888659239.db2.gz KCSZURUDSDYYTF-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001392029719 888660485 /nfs/dbraw/zinc/66/04/85/888660485.db2.gz AHGMPJHREVLKEQ-VIFPVBQESA-N 0 3 272.349 -1.353 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cncnc1 ZINC001392063081 888661667 /nfs/dbraw/zinc/66/16/67/888661667.db2.gz QALLTJNSHFORJX-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN CC[C@H](NC[C@H](C)N(C)C(=O)Cn1ncnn1)C(N)=O ZINC001392065838 888661701 /nfs/dbraw/zinc/66/17/01/888661701.db2.gz USNTWLKJGVONRY-IUCAKERBSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CN1CCCNC1=O ZINC001392073307 888661752 /nfs/dbraw/zinc/66/17/52/888661752.db2.gz DGWXSFYFAABSIJ-VIFPVBQESA-N 0 3 285.348 -1.677 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCn1cncn1 ZINC001392044992 888661935 /nfs/dbraw/zinc/66/19/35/888661935.db2.gz NPEDMZICAUJMHV-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CN[C@H]1CCNC1=O ZINC001392078380 888662028 /nfs/dbraw/zinc/66/20/28/888662028.db2.gz VBDWIEWOYRAFSS-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cncnc1 ZINC001392063088 888662081 /nfs/dbraw/zinc/66/20/81/888662081.db2.gz QALLTJNSHFORJX-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CNCC(=O)N1CCC1 ZINC001392073758 888662227 /nfs/dbraw/zinc/66/22/27/888662227.db2.gz JUUCUEQSYQAGIV-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CN1CCOCC1 ZINC001392057128 888662724 /nfs/dbraw/zinc/66/27/24/888662724.db2.gz HSTDYPRIDIVXLZ-SNVBAGLBSA-N 0 3 272.349 -1.760 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1nnn(C)c1C ZINC001392050110 888662761 /nfs/dbraw/zinc/66/27/61/888662761.db2.gz KFWFFVBEXOMNJL-MRVPVSSYSA-N 0 3 282.348 -1.080 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCn1ncn(C)c1=O ZINC001392087849 888662802 /nfs/dbraw/zinc/66/28/02/888662802.db2.gz ZKZMBAATZWTUCO-SECBINFHSA-N 0 3 298.347 -2.106 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCn1cncn1 ZINC001392044975 888662812 /nfs/dbraw/zinc/66/28/12/888662812.db2.gz NPEDMZICAUJMHV-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CNCC(=O)N1CCNC(=O)C1)N(C)C(=O)C1CC1 ZINC001392044821 888662848 /nfs/dbraw/zinc/66/28/48/888662848.db2.gz WBZACVPSYHMPMC-SNVBAGLBSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cnc2n[nH]nc2c1 ZINC001392077790 888662934 /nfs/dbraw/zinc/66/29/34/888662934.db2.gz XQMCWBICANBDBE-ZETCQYMHSA-N 0 3 291.315 -1.112 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CN[C@@H]1CCNC1=O ZINC001392078384 888663041 /nfs/dbraw/zinc/66/30/41/888663041.db2.gz VBDWIEWOYRAFSS-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001392087006 888663050 /nfs/dbraw/zinc/66/30/50/888663050.db2.gz FUFQEWGMVZYVBV-JGVFFNPUSA-N 0 3 283.336 -1.605 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)Cn1ncnn1 ZINC001392056209 888663062 /nfs/dbraw/zinc/66/30/62/888663062.db2.gz FJEOWNQHYDUOJE-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@@H](C)CN[C@@H](C)C(N)=O)C1 ZINC001392054334 888663170 /nfs/dbraw/zinc/66/31/70/888663170.db2.gz WYYXPRQUOMSBIZ-IUCAKERBSA-N 0 3 284.360 -1.225 20 0 CAADHN CC[C@@H](NC[C@H](C)N(C)C(=O)Cn1ncnn1)C(N)=O ZINC001392065837 888663212 /nfs/dbraw/zinc/66/32/12/888663212.db2.gz USNTWLKJGVONRY-DTWKUNHWSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cnc2n[nH]nc2c1 ZINC001392077786 888663227 /nfs/dbraw/zinc/66/32/27/888663227.db2.gz XQMCWBICANBDBE-SSDOTTSWSA-N 0 3 291.315 -1.112 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)Cn1ncnn1 ZINC001392056218 888663283 /nfs/dbraw/zinc/66/32/83/888663283.db2.gz FJEOWNQHYDUOJE-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001392161440 888664960 /nfs/dbraw/zinc/66/49/60/888664960.db2.gz FCQZOLSNLUKFIB-UWVGGRQHSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001392092462 888665055 /nfs/dbraw/zinc/66/50/55/888665055.db2.gz ZXTUTOFAHDRXPO-NXEZZACHSA-N 0 3 299.375 -1.301 20 0 CAADHN CNC(=O)CNC[C@H](CC(C)C)NC(=O)Cn1ncnn1 ZINC001392152765 888665100 /nfs/dbraw/zinc/66/51/00/888665100.db2.gz NNIKFZWHVRNZEM-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN CC[C@H](NC[C@@H](C)N(C)C(=O)CCNC(N)=O)C(N)=O ZINC001392121878 888665397 /nfs/dbraw/zinc/66/53/97/888665397.db2.gz AAQMCPDOMQKKEV-BDAKNGLRSA-N 0 3 287.364 -1.255 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CS(=O)(=O)NC ZINC001392141780 888665520 /nfs/dbraw/zinc/66/55/20/888665520.db2.gz VCQIQAJMFRRDDP-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CCc1cn(C)nn1 ZINC001392137987 888665894 /nfs/dbraw/zinc/66/58/94/888665894.db2.gz BDSRPAHMNXDGSO-JTQLQIEISA-N 0 3 296.375 -1.070 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCc1cn(C)nn1 ZINC001392146212 888666458 /nfs/dbraw/zinc/66/64/58/888666458.db2.gz XIUGZZXYTCGZMQ-VIFPVBQESA-N 0 3 282.348 -1.331 20 0 CAADHN CNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@H]1CNC(=O)N1 ZINC001392172456 888666697 /nfs/dbraw/zinc/66/66/97/888666697.db2.gz SZFVWUSONMTPNP-VHSXEESVSA-N 0 3 299.375 -1.466 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CCc1cn(C)nn1 ZINC001392137989 888666850 /nfs/dbraw/zinc/66/68/50/888666850.db2.gz BDSRPAHMNXDGSO-SNVBAGLBSA-N 0 3 296.375 -1.070 20 0 CAADHN CNC(=O)CNC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001392172461 888667091 /nfs/dbraw/zinc/66/70/91/888667091.db2.gz SZFVWUSONMTPNP-ZJUUUORDSA-N 0 3 299.375 -1.466 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)CNC(=O)OC ZINC001392260522 888669670 /nfs/dbraw/zinc/66/96/70/888669670.db2.gz GZOQTEUGFRVMPG-JTQLQIEISA-N 0 3 291.348 -1.260 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H](C)NC(C)=O)C(C)C ZINC001392199469 888669691 /nfs/dbraw/zinc/66/96/91/888669691.db2.gz FOOLEGUNOWMAIN-MWLCHTKSSA-N 0 3 286.376 -1.013 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H](C)NC(C)=O)C(C)C ZINC001392199462 888669706 /nfs/dbraw/zinc/66/97/06/888669706.db2.gz FOOLEGUNOWMAIN-GXSJLCMTSA-N 0 3 286.376 -1.013 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1CC1)NC[C@H]1CCCO1 ZINC001392336589 888672041 /nfs/dbraw/zinc/67/20/41/888672041.db2.gz BEVCKTZKKROYJO-NWDGAFQWSA-N 0 3 299.371 -1.242 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)NC[C@@H]1CCOC1 ZINC001392340066 888672126 /nfs/dbraw/zinc/67/21/26/888672126.db2.gz IEDRIFKQWBWQSS-QWRGUYRKSA-N 0 3 273.333 -1.774 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)NC1CCOCC1 ZINC001392336479 888673099 /nfs/dbraw/zinc/67/30/99/888673099.db2.gz AKRORLVHTFNEKX-LLVKDONJSA-N 0 3 273.333 -1.632 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1CC1)NC[C@@H]1CCCO1 ZINC001392336588 888673493 /nfs/dbraw/zinc/67/34/93/888673493.db2.gz BEVCKTZKKROYJO-NEPJUHHUSA-N 0 3 299.371 -1.242 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1CC1)NC[C@H]1CCCO1 ZINC001392336591 888674402 /nfs/dbraw/zinc/67/44/02/888674402.db2.gz BEVCKTZKKROYJO-VXGBXAGGSA-N 0 3 299.371 -1.242 20 0 CAADHN COCCC(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001392345572 888676317 /nfs/dbraw/zinc/67/63/17/888676317.db2.gz VUUCYVPRBROVHY-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN O=C(CN1CCCC1=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392342322 888675794 /nfs/dbraw/zinc/67/57/94/888675794.db2.gz CCVBXPUSSMUHLL-UWVGGRQHSA-N 0 3 298.343 -2.436 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cccn1C ZINC001392352568 888675811 /nfs/dbraw/zinc/67/58/11/888675811.db2.gz YWLNAXMZXILXPQ-SNVBAGLBSA-N 0 3 282.344 -1.159 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnsn1)C(N)=O ZINC001392352723 888675826 /nfs/dbraw/zinc/67/58/26/888675826.db2.gz DETXNOVNXNHYBL-RQJHMYQMSA-N 0 3 287.345 -1.518 20 0 CAADHN CCCC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001392341661 888675967 /nfs/dbraw/zinc/67/59/67/888675967.db2.gz MHWAJOPWMYJGJR-YUMQZZPRSA-N 0 3 274.321 -1.563 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001392350189 888676050 /nfs/dbraw/zinc/67/60/50/888676050.db2.gz IYTZCPYIYDPHLU-LLVKDONJSA-N 0 3 297.359 -1.421 20 0 CAADHN CCCC(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001392341655 888676878 /nfs/dbraw/zinc/67/68/78/888676878.db2.gz MHWAJOPWMYJGJR-JGVFFNPUSA-N 0 3 274.321 -1.563 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2cccnc2)C1=O ZINC001392343770 888677351 /nfs/dbraw/zinc/67/73/51/888677351.db2.gz RQFHOJLACBZLJU-NEPJUHHUSA-N 0 3 292.339 -1.007 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cccnc2)C1=O ZINC001392343806 888677720 /nfs/dbraw/zinc/67/77/20/888677720.db2.gz RQFHOJLACBZLJU-VXGBXAGGSA-N 0 3 292.339 -1.007 20 0 CAADHN O=C(CN1CCCC1=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392342321 888677847 /nfs/dbraw/zinc/67/78/47/888677847.db2.gz CCVBXPUSSMUHLL-NXEZZACHSA-N 0 3 298.343 -2.436 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCn1cncn1 ZINC001392348754 888678134 /nfs/dbraw/zinc/67/81/34/888678134.db2.gz JNEWEMGCPANEPQ-MRVPVSSYSA-N 0 3 270.293 -2.780 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C1CCC1 ZINC001392343163 888678279 /nfs/dbraw/zinc/67/82/79/888678279.db2.gz QBEUKUXQDWVHRA-SECBINFHSA-N 0 3 286.332 -1.691 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)n1cccn1 ZINC001392356716 888679695 /nfs/dbraw/zinc/67/96/95/888679695.db2.gz PHSBHHLLXNJRAT-WDEREUQCSA-N 0 3 297.359 -1.353 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001392353356 888679803 /nfs/dbraw/zinc/67/98/03/888679803.db2.gz RIEHNXXMLUIPQH-OIBJUYFYSA-N 0 3 298.347 -1.796 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](O)CNCc1cncn1C ZINC001392356742 888679887 /nfs/dbraw/zinc/67/98/87/888679887.db2.gz PLHWKCZBHWDETG-JTQLQIEISA-N 0 3 299.331 -1.657 20 0 CAADHN Cc1nnc(CNC[C@H](O)CNC(=O)[C@H]2CCCN2C)[nH]1 ZINC001392360587 888680171 /nfs/dbraw/zinc/68/01/71/888680171.db2.gz FHDIFPMSYXDXMQ-WDEREUQCSA-N 0 3 296.375 -1.226 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)[nH]n1 ZINC001392355627 888680230 /nfs/dbraw/zinc/68/02/30/888680230.db2.gz LPAVIMMIXHQIEK-ZJUUUORDSA-N 0 3 295.343 -1.371 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001392358669 888680496 /nfs/dbraw/zinc/68/04/96/888680496.db2.gz YFTSKLBSVVDRSR-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)[nH]n1 ZINC001392355625 888680585 /nfs/dbraw/zinc/68/05/85/888680585.db2.gz LPAVIMMIXHQIEK-VHSXEESVSA-N 0 3 295.343 -1.371 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001392356406 888680868 /nfs/dbraw/zinc/68/08/68/888680868.db2.gz GWFYUXFTIRQYNG-WCBMZHEXSA-N 0 3 273.333 -1.633 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccon1 ZINC001392359233 888681164 /nfs/dbraw/zinc/68/11/64/888681164.db2.gz CHMBLAJVWOOIJV-SECBINFHSA-N 0 3 270.289 -1.970 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2cnsn2)C1=O ZINC001392356077 888681186 /nfs/dbraw/zinc/68/11/86/888681186.db2.gz NBMUOKHAPQSTOV-YUMQZZPRSA-N 0 3 299.356 -1.551 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001392356405 888681292 /nfs/dbraw/zinc/68/12/92/888681292.db2.gz GWFYUXFTIRQYNG-SCZZXKLOSA-N 0 3 273.333 -1.633 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)n1cccn1 ZINC001392356711 888681313 /nfs/dbraw/zinc/68/13/13/888681313.db2.gz PHSBHHLLXNJRAT-GHMZBOCLSA-N 0 3 297.359 -1.353 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CC1CCOCC1 ZINC001392361390 888683063 /nfs/dbraw/zinc/68/30/63/888683063.db2.gz GCQMJCSBCZVCCT-JTQLQIEISA-N 0 3 273.333 -1.645 20 0 CAADHN CCn1nccc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392366437 888683114 /nfs/dbraw/zinc/68/31/14/888683114.db2.gz ZFKBTBHXNSSATN-UWVGGRQHSA-N 0 3 295.343 -1.528 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C[C@@H]1CCOC1)NC1CC1 ZINC001392366052 888683407 /nfs/dbraw/zinc/68/34/07/888683407.db2.gz PDBIEJOSRBSBLS-JQWIXIFHSA-N 0 3 299.371 -1.242 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cncnc1 ZINC001392364898 888683677 /nfs/dbraw/zinc/68/36/77/888683677.db2.gz STVMBTSDRUHIQU-SNVBAGLBSA-N 0 3 281.316 -1.755 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCOC1)N1CCCC1 ZINC001392363336 888683742 /nfs/dbraw/zinc/68/37/42/888683742.db2.gz UNYQGCPJNNDUHQ-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CN1CCOCC1)C(N)=O ZINC001392365857 888683757 /nfs/dbraw/zinc/68/37/57/888683757.db2.gz KQKDTITWFDPSQX-VHSXEESVSA-N 0 3 288.348 -2.741 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1=CCOCC1)C(=O)N(C)C ZINC001392364858 888683798 /nfs/dbraw/zinc/68/37/98/888683798.db2.gz SSFMEJDSYWCCJM-ZYHUDNBSSA-N 0 3 299.371 -1.124 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCOC1)N1CCCC1 ZINC001392363322 888684063 /nfs/dbraw/zinc/68/40/63/888684063.db2.gz UNYQGCPJNNDUHQ-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(Cc1ccon1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001392364701 888684131 /nfs/dbraw/zinc/68/41/31/888684131.db2.gz MIJSHKBCMQNEFT-WDEREUQCSA-N 0 3 296.327 -1.438 20 0 CAADHN Cn1nccc1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001392361587 888684473 /nfs/dbraw/zinc/68/44/73/888684473.db2.gz QCGJEDODOMRJAH-NXEZZACHSA-N 0 3 295.343 -1.621 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCOC1)N1CCCC1 ZINC001392363330 888684509 /nfs/dbraw/zinc/68/45/09/888684509.db2.gz UNYQGCPJNNDUHQ-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)co1 ZINC001392364964 888684554 /nfs/dbraw/zinc/68/45/54/888684554.db2.gz UDAWSQDGBPIAJL-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN CCn1nccc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001392366029 888684587 /nfs/dbraw/zinc/68/45/87/888684587.db2.gz XYFOSKNCGQLBPJ-SECBINFHSA-N 0 3 283.332 -1.671 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001392361761 888684872 /nfs/dbraw/zinc/68/48/72/888684872.db2.gz CXXNXAYFYQNSKL-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)COC(C)(C)C ZINC001392364817 888685212 /nfs/dbraw/zinc/68/52/12/888685212.db2.gz HGBRGSCPWJDWJN-SECBINFHSA-N 0 3 275.349 -1.386 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001392364461 888685291 /nfs/dbraw/zinc/68/52/91/888685291.db2.gz RTFFJVSXUJZMAR-GFCCVEGCSA-N 0 3 299.371 -1.076 20 0 CAADHN CCOC1CC(C(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001392366265 888685308 /nfs/dbraw/zinc/68/53/08/888685308.db2.gz AMXNLHOBMSXYTL-HWOCKDDLSA-N 0 3 273.333 -1.647 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccc(C)o1 ZINC001392363770 888685364 /nfs/dbraw/zinc/68/53/64/888685364.db2.gz DROABCZTORBKCL-SNVBAGLBSA-N 0 3 283.328 -1.057 20 0 CAADHN Cn1nccc1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001392361596 888685441 /nfs/dbraw/zinc/68/54/41/888685441.db2.gz QCGJEDODOMRJAH-UWVGGRQHSA-N 0 3 295.343 -1.621 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(N)=O)ns1 ZINC001392370422 888686550 /nfs/dbraw/zinc/68/65/50/888686550.db2.gz XAMQTJXSSVHDEA-SSDOTTSWSA-N 0 3 272.330 -1.383 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1nccc(C)n1)C(N)=O ZINC001392370522 888686263 /nfs/dbraw/zinc/68/62/63/888686263.db2.gz YIZFZBNPVWLWQC-UWVGGRQHSA-N 0 3 295.343 -1.271 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1cccnc1)C(N)=O ZINC001392368559 888686579 /nfs/dbraw/zinc/68/65/79/888686579.db2.gz RMKHYYWRXMSADU-ONGXEEELSA-N 0 3 280.328 -1.435 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)CC2(O)CCC2)n[nH]1 ZINC001392369661 888686517 /nfs/dbraw/zinc/68/65/17/888686517.db2.gz MUMCVQKLQPCWGC-JTQLQIEISA-N 0 3 297.359 -1.015 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1ncc[nH]1 ZINC001392367768 888686842 /nfs/dbraw/zinc/68/68/42/888686842.db2.gz FPUBXVXSPDFMKA-BDAKNGLRSA-N 0 3 281.316 -1.631 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCCO1 ZINC001392368815 888687047 /nfs/dbraw/zinc/68/70/47/888687047.db2.gz TZSPABULJMOJEA-WDEREUQCSA-N 0 3 287.360 -1.242 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCOCC1 ZINC001392367572 888687116 /nfs/dbraw/zinc/68/71/16/888687116.db2.gz LSECYCZJVJHXQB-NXEZZACHSA-N 0 3 273.333 -1.645 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1cccnc1)C(N)=O ZINC001392368558 888687141 /nfs/dbraw/zinc/68/71/41/888687141.db2.gz RMKHYYWRXMSADU-MWLCHTKSSA-N 0 3 280.328 -1.435 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)nn1 ZINC001392376733 888687180 /nfs/dbraw/zinc/68/71/80/888687180.db2.gz OWWJTVOZVFKNKK-UWVGGRQHSA-N 0 3 293.327 -1.646 20 0 CAADHN COC1(CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)CCC1 ZINC001392367522 888687317 /nfs/dbraw/zinc/68/73/17/888687317.db2.gz LNEGHZMMANRBIX-NXEZZACHSA-N 0 3 287.360 -1.114 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnn(CC)n1)C(N)=O ZINC001392367988 888687336 /nfs/dbraw/zinc/68/73/36/888687336.db2.gz GIQGATMCRLYKAC-BDAKNGLRSA-N 0 3 298.347 -1.758 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001392374715 888687389 /nfs/dbraw/zinc/68/73/89/888687389.db2.gz DQAFRHWDZXICLW-DTWKUNHWSA-N 0 3 286.332 -2.723 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)nn1 ZINC001392370475 888687401 /nfs/dbraw/zinc/68/74/01/888687401.db2.gz UJLKCYWLLKJSCY-RKDXNWHRSA-N 0 3 296.331 -2.226 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](OC)C1CC1 ZINC001392367585 888687478 /nfs/dbraw/zinc/68/74/78/888687478.db2.gz LTPVHINWXZEFPU-KOLCDFICSA-N 0 3 273.333 -1.776 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001392371289 888687494 /nfs/dbraw/zinc/68/74/94/888687494.db2.gz DLZMXMCWKIUCNV-QMMMGPOBSA-N 0 3 297.315 -2.793 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1(C)CC1)C(=O)NC(N)=O ZINC001392376619 888687807 /nfs/dbraw/zinc/68/78/07/888687807.db2.gz LLLXPWBBYAXXON-SFYZADRCSA-N 0 3 286.332 -1.563 20 0 CAADHN COC1(CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)CCC1 ZINC001392367529 888687966 /nfs/dbraw/zinc/68/79/66/888687966.db2.gz LNEGHZMMANRBIX-VHSXEESVSA-N 0 3 287.360 -1.114 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2)N1CCC1 ZINC001392372274 888687994 /nfs/dbraw/zinc/68/79/94/888687994.db2.gz CUBVXHABSDTCRK-WDMOLILDSA-N 0 3 297.355 -1.678 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CNCc2ccnn2C)nn1 ZINC001392371413 888688028 /nfs/dbraw/zinc/68/80/28/888688028.db2.gz YWFWCROIBOBGGA-SNVBAGLBSA-N 0 3 293.331 -1.571 20 0 CAADHN Cc1c(CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cnn1C ZINC001392374489 888688101 /nfs/dbraw/zinc/68/81/01/888688101.db2.gz CZEARXFZFLUXBG-GZMMTYOYSA-N 0 3 297.359 -1.788 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1cnc(C)o1)C(N)=O ZINC001392370775 888688152 /nfs/dbraw/zinc/68/81/52/888688152.db2.gz AEYNUXJAWZSKGZ-MWLCHTKSSA-N 0 3 298.343 -1.144 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)nn1 ZINC001392370473 888688162 /nfs/dbraw/zinc/68/81/62/888688162.db2.gz UJLKCYWLLKJSCY-IUCAKERBSA-N 0 3 296.331 -2.226 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnn(CC)n1)C(N)=O ZINC001392367991 888688181 /nfs/dbraw/zinc/68/81/81/888688181.db2.gz GIQGATMCRLYKAC-DTWKUNHWSA-N 0 3 298.347 -1.758 20 0 CAADHN Cc1nnc(CC(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)o1 ZINC001392371436 888688193 /nfs/dbraw/zinc/68/81/93/888688193.db2.gz ZCGYFJUGTYODKL-RKDXNWHRSA-N 0 3 297.315 -2.124 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccnn1C1CCC1 ZINC001392372090 888688254 /nfs/dbraw/zinc/68/82/54/888688254.db2.gz FWVIMGBKRMXTLH-JTQLQIEISA-N 0 3 295.343 -1.226 20 0 CAADHN Cc1nnc(CC(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)o1 ZINC001392371433 888688278 /nfs/dbraw/zinc/68/82/78/888688278.db2.gz ZCGYFJUGTYODKL-DTWKUNHWSA-N 0 3 297.315 -2.124 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cn2c(n1)CCC2 ZINC001392372808 888688371 /nfs/dbraw/zinc/68/83/71/888688371.db2.gz DSRUYGGUDDHJJX-VIFPVBQESA-N 0 3 295.343 -1.744 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccnc2ccnn21 ZINC001392386141 888689682 /nfs/dbraw/zinc/68/96/82/888689682.db2.gz ZLRJNEHVKDTZFE-MRVPVSSYSA-N 0 3 292.299 -2.105 20 0 CAADHN C[C@H](CC(=O)NC[C@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001392388111 888689979 /nfs/dbraw/zinc/68/99/79/888689979.db2.gz APNAYKBAQNGNHS-MWLCHTKSSA-N 0 3 297.359 -1.534 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1cccnc1)C(N)=O ZINC001392383724 888690514 /nfs/dbraw/zinc/69/05/14/888690514.db2.gz GRVQIHJWFYUJHE-JQWIXIFHSA-N 0 3 294.355 -1.045 20 0 CAADHN CN1CC[C@H](CC(=O)NC[C@@H](O)CNCC(N)=O)C1=O ZINC001392378512 888690526 /nfs/dbraw/zinc/69/05/26/888690526.db2.gz BXWGXYLUDMWPLG-BDAKNGLRSA-N 0 3 286.332 -2.593 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001392381561 888690544 /nfs/dbraw/zinc/69/05/44/888690544.db2.gz JTSWLDSOMSVUDF-IWSPIJDZSA-N 0 3 281.316 -1.935 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c(C)nn1 ZINC001392380834 888690562 /nfs/dbraw/zinc/69/05/62/888690562.db2.gz YZUDNHVIAVTQBY-ZJUUUORDSA-N 0 3 295.343 -1.352 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)nn1 ZINC001392376735 888690626 /nfs/dbraw/zinc/69/06/26/888690626.db2.gz OWWJTVOZVFKNKK-VHSXEESVSA-N 0 3 293.327 -1.646 20 0 CAADHN CN1CC[C@H](CC(=O)NC[C@H](O)CNCC(N)=O)C1=O ZINC001392378520 888690691 /nfs/dbraw/zinc/69/06/91/888690691.db2.gz BXWGXYLUDMWPLG-RKDXNWHRSA-N 0 3 286.332 -2.593 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1cccnc1)C(N)=O ZINC001392383731 888690715 /nfs/dbraw/zinc/69/07/15/888690715.db2.gz GRVQIHJWFYUJHE-ZYHUDNBSSA-N 0 3 294.355 -1.045 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1ccncn1 ZINC001392378176 888690789 /nfs/dbraw/zinc/69/07/89/888690789.db2.gz RVRKEZQWKFDOSJ-LLVKDONJSA-N 0 3 295.343 -1.778 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccsn1 ZINC001392382509 888691050 /nfs/dbraw/zinc/69/10/50/888691050.db2.gz KGOBUFJLZKLHCT-MRVPVSSYSA-N 0 3 286.357 -1.041 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1n[nH]cc1C ZINC001392378758 888691108 /nfs/dbraw/zinc/69/11/08/888691108.db2.gz WNKMZEFRGQDOIM-BDAKNGLRSA-N 0 3 283.332 -1.467 20 0 CAADHN Cn1nc(C(=O)NC[C@@H](O)CNCC(N)=O)cc1C1CC1 ZINC001392386215 888691433 /nfs/dbraw/zinc/69/14/33/888691433.db2.gz ZUCNVUAEVVSEOS-VIFPVBQESA-N 0 3 295.343 -1.537 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)nn1 ZINC001392378175 888691456 /nfs/dbraw/zinc/69/14/56/888691456.db2.gz VBLWGHCPFXPVTJ-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001392397045 888692710 /nfs/dbraw/zinc/69/27/10/888692710.db2.gz LMVWGXINRZBQKG-QMMMGPOBSA-N 0 3 299.335 -2.631 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001392389888 888692831 /nfs/dbraw/zinc/69/28/31/888692831.db2.gz JBBPQOBJSRUYHV-ZETCQYMHSA-N 0 3 285.304 -2.406 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001392390420 888693047 /nfs/dbraw/zinc/69/30/47/888693047.db2.gz GUEJZVWKQXUQOC-HTQZYQBOSA-N 0 3 297.315 -2.415 20 0 CAADHN CO[C@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C)C(C)C ZINC001392390704 888693261 /nfs/dbraw/zinc/69/32/61/888693261.db2.gz HBFDPSSEZDJEEN-JQWIXIFHSA-N 0 3 289.376 -1.188 20 0 CAADHN CO[C@@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C)C(C)C ZINC001392390709 888693514 /nfs/dbraw/zinc/69/35/14/888693514.db2.gz HBFDPSSEZDJEEN-ZYHUDNBSSA-N 0 3 289.376 -1.188 20 0 CAADHN CCc1cncc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001392395555 888693849 /nfs/dbraw/zinc/69/38/49/888693849.db2.gz WNWDJKDNUBMNQL-NSHDSACASA-N 0 3 280.328 -1.190 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001392390427 888693693 /nfs/dbraw/zinc/69/36/93/888693693.db2.gz GUEJZVWKQXUQOC-JGVFFNPUSA-N 0 3 297.315 -2.415 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001392395864 888693901 /nfs/dbraw/zinc/69/39/01/888693901.db2.gz VNIXRJGOFUFALJ-DTWKUNHWSA-N 0 3 288.348 -2.347 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001392395860 888693995 /nfs/dbraw/zinc/69/39/95/888693995.db2.gz HZKMUMZAYVQHHW-HHHUOAJASA-N 0 3 297.355 -1.776 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001392395821 888694067 /nfs/dbraw/zinc/69/40/67/888694067.db2.gz HVYLTWXJLMICMH-SSDOTTSWSA-N 0 3 285.308 -2.974 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)Cc2cnoc2)C1=O ZINC001392392211 888694580 /nfs/dbraw/zinc/69/45/80/888694580.db2.gz MEAPHEFZTHCKFN-MNOVXSKESA-N 0 3 296.327 -1.486 20 0 CAADHN COC1CC(C(=O)NC[C@H](O)CNCC(=O)N(C)C)C1 ZINC001392392860 888694746 /nfs/dbraw/zinc/69/47/46/888694746.db2.gz YATAORANHZSHQZ-HSOILSAZSA-N 0 3 287.360 -1.434 20 0 CAADHN COCc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)o1 ZINC001392389344 888694905 /nfs/dbraw/zinc/69/49/05/888694905.db2.gz QACMMXWSEPSEPJ-QMMMGPOBSA-N 0 3 285.300 -1.408 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)n1 ZINC001392393571 888694984 /nfs/dbraw/zinc/69/49/84/888694984.db2.gz DDIIQEQDQUXSPH-HTQZYQBOSA-N 0 3 297.319 -2.831 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C1(COC)CC1 ZINC001392394061 888695097 /nfs/dbraw/zinc/69/50/97/888695097.db2.gz STSMCUUKQYYWGP-ZJUUUORDSA-N 0 3 287.360 -1.386 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001392396058 888695177 /nfs/dbraw/zinc/69/51/77/888695177.db2.gz LMHIDFANJAANSY-ZTHPDXAWSA-N 0 3 297.355 -1.778 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cncc(Cl)c1 ZINC001392407493 888696247 /nfs/dbraw/zinc/69/62/47/888696247.db2.gz HFZDVRKGUJJLDZ-VIFPVBQESA-N 0 3 286.719 -1.099 20 0 CAADHN Cn1cc([C@@H]2C[C@H]2C(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001392399282 888696331 /nfs/dbraw/zinc/69/63/31/888696331.db2.gz FZQVPJXOLSDBGL-OUAUKWLOSA-N 0 3 295.343 -1.924 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001392401950 888696377 /nfs/dbraw/zinc/69/63/77/888696377.db2.gz NKJHURODFIJHGD-HLTSFMKQSA-N 0 3 286.332 -2.737 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1n[nH]cc1F ZINC001392401976 888696656 /nfs/dbraw/zinc/69/66/56/888696656.db2.gz IVGMVWANPZRWJJ-ZETCQYMHSA-N 0 3 287.295 -1.683 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)Cn1cnnn1 ZINC001392399317 888696768 /nfs/dbraw/zinc/69/67/68/888696768.db2.gz FSHRUPBVUGBGLJ-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001392407222 888696872 /nfs/dbraw/zinc/69/68/72/888696872.db2.gz GVDGKTKDEKNSOH-HTQZYQBOSA-N 0 3 272.305 -2.793 20 0 CAADHN Cc1cnc(CNC[C@H](O)CNC(=O)c2nnc[nH]2)cn1 ZINC001392408448 888696937 /nfs/dbraw/zinc/69/69/37/888696937.db2.gz ISKJUYUEMXTJME-JTQLQIEISA-N 0 3 291.315 -1.216 20 0 CAADHN CC1(C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)CCC1 ZINC001392401302 888696960 /nfs/dbraw/zinc/69/69/60/888696960.db2.gz SFOHXPBGICDCMD-MRVPVSSYSA-N 0 3 286.332 -1.562 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001392399037 888697394 /nfs/dbraw/zinc/69/73/94/888697394.db2.gz ZVIKGKFANDCLNU-UFBFGSQYSA-N 0 3 286.332 -2.532 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CNCc2ccnn2C)n1 ZINC001392408485 888697165 /nfs/dbraw/zinc/69/71/65/888697165.db2.gz IVLRJBLRJKUJMP-SNVBAGLBSA-N 0 3 293.331 -1.571 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCCF)C(=O)NC(N)=O ZINC001392400011 888697186 /nfs/dbraw/zinc/69/71/86/888697186.db2.gz QIIZLMNXEAHDOF-JGVFFNPUSA-N 0 3 292.311 -1.614 20 0 CAADHN CC(C)c1cc(C(=O)NC[C@@H](O)CNCC(N)=O)n(C)n1 ZINC001392405804 888697657 /nfs/dbraw/zinc/69/76/57/888697657.db2.gz APCDVEMOPUZREO-VIFPVBQESA-N 0 3 297.359 -1.291 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001392406107 888698060 /nfs/dbraw/zinc/69/80/60/888698060.db2.gz ADZLKZYTLOWHFN-LLVKDONJSA-N 0 3 297.359 -1.654 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CNC(=O)N1)N1CCC1 ZINC001392397555 888698099 /nfs/dbraw/zinc/69/80/99/888698099.db2.gz WERCKBGLUMKBHI-DTWKUNHWSA-N 0 3 299.331 -3.033 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)CCCF ZINC001392397731 888698314 /nfs/dbraw/zinc/69/83/14/888698314.db2.gz MLTYHQVKRQSABZ-MRVPVSSYSA-N 0 3 292.311 -1.742 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)CCC1 ZINC001392401304 888698370 /nfs/dbraw/zinc/69/83/70/888698370.db2.gz SFOHXPBGICDCMD-QMMMGPOBSA-N 0 3 286.332 -1.562 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001392401901 888698823 /nfs/dbraw/zinc/69/88/23/888698823.db2.gz SQUYFRHBVDZJCZ-WYOJIJJFSA-N 0 3 271.317 -2.309 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CNCc2cncs2)n1 ZINC001392402202 888698880 /nfs/dbraw/zinc/69/88/80/888698880.db2.gz UZMPOMKGIIZNAY-ZETCQYMHSA-N 0 3 297.344 -1.453 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)ccn1C ZINC001392405043 888698948 /nfs/dbraw/zinc/69/89/48/888698948.db2.gz SUFKHUGIJSGEOB-PSASIEDQSA-N 0 3 282.344 -1.112 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CNCC(=O)NC)n(C)n1 ZINC001392412707 888700447 /nfs/dbraw/zinc/70/04/47/888700447.db2.gz NBGXLDVTWJAKKD-JTQLQIEISA-N 0 3 297.359 -1.591 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001392414276 888700654 /nfs/dbraw/zinc/70/06/54/888700654.db2.gz AEOKATGMWMNDPU-JTQLQIEISA-N 0 3 297.359 -1.584 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CNCC(=O)NC)n(C)n1 ZINC001392412708 888700972 /nfs/dbraw/zinc/70/09/72/888700972.db2.gz NBGXLDVTWJAKKD-SNVBAGLBSA-N 0 3 297.359 -1.591 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC12CCOCC2 ZINC001392421359 888701083 /nfs/dbraw/zinc/70/10/83/888701083.db2.gz DDQXZSXGCGGDKV-NXEZZACHSA-N 0 3 285.344 -1.645 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001392409916 888701144 /nfs/dbraw/zinc/70/11/44/888701144.db2.gz NMTBTWKMDSJPGZ-IUCAKERBSA-N 0 3 283.332 -1.847 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1nocc1C)C(N)=O ZINC001392416458 888701356 /nfs/dbraw/zinc/70/13/56/888701356.db2.gz CMLRYLHTEOPOGP-IUCAKERBSA-N 0 3 284.316 -1.073 20 0 CAADHN NC(=O)CCCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392419103 888701444 /nfs/dbraw/zinc/70/14/44/888701444.db2.gz AATZANRCZJCFGG-BDAKNGLRSA-N 0 3 286.332 -2.403 20 0 CAADHN O=C(Cn1cncn1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392416805 888701472 /nfs/dbraw/zinc/70/14/72/888701472.db2.gz DTWFZDINSJCIGC-BDAKNGLRSA-N 0 3 282.304 -2.767 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ncccc1F ZINC001392412688 888701638 /nfs/dbraw/zinc/70/16/38/888701638.db2.gz MYTHJQQPSMYYCL-PSASIEDQSA-N 0 3 296.302 -1.211 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cn(CC)nn1)C(N)=O ZINC001392409354 888701766 /nfs/dbraw/zinc/70/17/66/888701766.db2.gz KFAVMAXHOUFVOV-IUCAKERBSA-N 0 3 298.347 -1.758 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1cn[nH]c1)C(N)=O ZINC001392409763 888702479 /nfs/dbraw/zinc/70/24/79/888702479.db2.gz OYIWIWHFYDZKGZ-PSASIEDQSA-N 0 3 283.332 -1.717 20 0 CAADHN CCc1oncc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392413529 888701959 /nfs/dbraw/zinc/70/19/59/888701959.db2.gz QSBGLDAVIGTUQD-PSASIEDQSA-N 0 3 296.327 -1.194 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001392421365 888702033 /nfs/dbraw/zinc/70/20/33/888702033.db2.gz DDQXZSXGCGGDKV-ZJUUUORDSA-N 0 3 285.344 -1.645 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1nocc1C)C(N)=O ZINC001392416447 888702243 /nfs/dbraw/zinc/70/22/43/888702243.db2.gz CMLRYLHTEOPOGP-DTWKUNHWSA-N 0 3 284.316 -1.073 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1cnon1 ZINC001392413442 888702257 /nfs/dbraw/zinc/70/22/57/888702257.db2.gz RWUCZKAYVWZSEA-YUMQZZPRSA-N 0 3 283.288 -1.972 20 0 CAADHN Cc1nonc1CC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392410778 888702309 /nfs/dbraw/zinc/70/23/09/888702309.db2.gz OTHGSYINMBLJHN-DTWKUNHWSA-N 0 3 297.315 -2.124 20 0 CAADHN CCc1oncc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392413532 888702337 /nfs/dbraw/zinc/70/23/37/888702337.db2.gz QSBGLDAVIGTUQD-WCBMZHEXSA-N 0 3 296.327 -1.194 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnon1)NC1CC1 ZINC001392412419 888702490 /nfs/dbraw/zinc/70/24/90/888702490.db2.gz MKNPGROIRLBGEA-MRVPVSSYSA-N 0 3 283.288 -1.972 20 0 CAADHN NC(=O)CCCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392419105 888702547 /nfs/dbraw/zinc/70/25/47/888702547.db2.gz AATZANRCZJCFGG-IUCAKERBSA-N 0 3 286.332 -2.403 20 0 CAADHN COc1c(C(=O)NC[C@H](O)CNCC(N)=O)c(C)nn1C ZINC001392412330 888702648 /nfs/dbraw/zinc/70/26/48/888702648.db2.gz LLPKHZLHEGAHAP-MRVPVSSYSA-N 0 3 299.331 -2.097 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)o1 ZINC001392413521 888702667 /nfs/dbraw/zinc/70/26/67/888702667.db2.gz SQYVSDUQEYCDCM-YUMQZZPRSA-N 0 3 285.300 -1.158 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnon1)N1CCC1 ZINC001392412265 888702692 /nfs/dbraw/zinc/70/26/92/888702692.db2.gz LBESYTRBRXUMLF-MRVPVSSYSA-N 0 3 283.288 -2.018 20 0 CAADHN CCc1oncc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001392413162 888702830 /nfs/dbraw/zinc/70/28/30/888702830.db2.gz NVJNTVSTRNWMII-JGVFFNPUSA-N 0 3 284.316 -1.209 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnoc1C1CC1 ZINC001392409883 888702916 /nfs/dbraw/zinc/70/29/16/888702916.db2.gz MYUPTSRJAPZINI-VIFPVBQESA-N 0 3 296.327 -1.022 20 0 CAADHN CC(C)c1cc(C(=O)NC[C@H](O)CNCC(N)=O)on1 ZINC001392415985 888703241 /nfs/dbraw/zinc/70/32/41/888703241.db2.gz ZEERYYLCSOQNII-MRVPVSSYSA-N 0 3 284.316 -1.036 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnoc1C1CC1 ZINC001392409882 888703459 /nfs/dbraw/zinc/70/34/59/888703459.db2.gz MYUPTSRJAPZINI-SECBINFHSA-N 0 3 296.327 -1.022 20 0 CAADHN Cc1nonc1CC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392410787 888703490 /nfs/dbraw/zinc/70/34/90/888703490.db2.gz OTHGSYINMBLJHN-IUCAKERBSA-N 0 3 297.315 -2.124 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ncccc1F ZINC001392412698 888703687 /nfs/dbraw/zinc/70/36/87/888703687.db2.gz MYTHJQQPSMYYCL-WPRPVWTQSA-N 0 3 296.302 -1.211 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)cc1 ZINC001392415791 888703719 /nfs/dbraw/zinc/70/37/19/888703719.db2.gz GEITXPRFUICRPE-JTQLQIEISA-N 0 3 281.312 -1.139 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c(=O)[nH]1 ZINC001392409732 888703780 /nfs/dbraw/zinc/70/37/80/888703780.db2.gz UITIFGBDXXTYLL-RKDXNWHRSA-N 0 3 296.327 -1.350 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001392431724 888705549 /nfs/dbraw/zinc/70/55/49/888705549.db2.gz RXBXLPIXCJTHES-MRVPVSSYSA-N 0 3 285.304 -1.853 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001392424856 888705632 /nfs/dbraw/zinc/70/56/32/888705632.db2.gz SBVMBZNRDBZJAA-SCZZXKLOSA-N 0 3 296.327 -1.398 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001392429194 888705857 /nfs/dbraw/zinc/70/58/57/888705857.db2.gz SVWSGHVCXNNAKO-HTQZYQBOSA-N 0 3 297.315 -2.666 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001392424568 888706223 /nfs/dbraw/zinc/70/62/23/888706223.db2.gz SVJXSBGIWPNMSD-IUCAKERBSA-N 0 3 286.332 -2.580 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001392434431 888706315 /nfs/dbraw/zinc/70/63/15/888706315.db2.gz XRYCJKBXYMWVDI-JTQLQIEISA-N 0 3 295.343 -1.369 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)Cn2ccnc2)C1=O ZINC001392426690 888707644 /nfs/dbraw/zinc/70/76/44/888707644.db2.gz LBVYUKIPLBEFOP-QWRGUYRKSA-N 0 3 295.343 -1.820 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)Cn1ccnc1)NC1CC1 ZINC001392430426 888707843 /nfs/dbraw/zinc/70/78/43/888707843.db2.gz RBGPLKBEQUUYIK-NSHDSACASA-N 0 3 295.343 -1.772 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CN1CCOCC1)C(N)=O ZINC001392470733 888709700 /nfs/dbraw/zinc/70/97/00/888709700.db2.gz GNJYIMKGVNQMNW-MNOVXSKESA-N 0 3 286.376 -1.323 20 0 CAADHN C[C@H](CNCC(=O)N1CCOCC1)NC(=O)[C@@H]1CCOC1 ZINC001392467006 888710176 /nfs/dbraw/zinc/71/01/76/888710176.db2.gz WJPYZNNOAOKZSM-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCn1ccnn1 ZINC001392474960 888710237 /nfs/dbraw/zinc/71/02/37/888710237.db2.gz JVXZCEJPQNPPHY-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CCNC(=O)NC ZINC001392444606 888710308 /nfs/dbraw/zinc/71/03/08/888710308.db2.gz SNNQDIDIUHOZCB-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001392474959 888710566 /nfs/dbraw/zinc/71/05/66/888710566.db2.gz GBCHFDBFDQLFQK-SFYZADRCSA-N 0 3 272.305 -1.675 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1COCCO1 ZINC001392469476 888710697 /nfs/dbraw/zinc/71/06/97/888710697.db2.gz YSBDTLBBMHQOHE-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001392451625 888710949 /nfs/dbraw/zinc/71/09/49/888710949.db2.gz BXVDUYSTQJFXLU-BBBLOLIVSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)Cn1ncnn1 ZINC001392476438 888710979 /nfs/dbraw/zinc/71/09/79/888710979.db2.gz KKGKZFPJPOZWPW-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)COC ZINC001392461247 888711038 /nfs/dbraw/zinc/71/10/38/888711038.db2.gz UMRRPQZVYIGCCB-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCn1cncn1 ZINC001392460184 888712274 /nfs/dbraw/zinc/71/22/74/888712274.db2.gz ZJUMJMSXMCSDFN-ZJUUUORDSA-N 0 3 280.332 -1.349 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)C[C@H](C)OC ZINC001392467404 888712348 /nfs/dbraw/zinc/71/23/48/888712348.db2.gz UGHCXQWPPVEBHD-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001392469558 888712718 /nfs/dbraw/zinc/71/27/18/888712718.db2.gz ZTZXFWVAJOQDDR-SCZZXKLOSA-N 0 3 270.333 -1.553 20 0 CAADHN Cc1ccnc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)n1 ZINC001392476156 888712735 /nfs/dbraw/zinc/71/27/35/888712735.db2.gz IKDWOKUUDVXLQP-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)Cc1ccn(C)n1 ZINC001392475070 888712815 /nfs/dbraw/zinc/71/28/15/888712815.db2.gz KEOSYPKERFXNSP-MWLCHTKSSA-N 0 3 279.344 -1.055 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001392473316 888712838 /nfs/dbraw/zinc/71/28/38/888712838.db2.gz CTHUKSQMMQROBR-SSDOTTSWSA-N 0 3 297.319 -2.021 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)CCn1cnnn1 ZINC001392453989 888712863 /nfs/dbraw/zinc/71/28/63/888712863.db2.gz ATRMVTQOLNAGGQ-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1coc(C(N)=O)c1 ZINC001392496936 888714501 /nfs/dbraw/zinc/71/45/01/888714501.db2.gz GDEDUBKLQXPRIE-SSDOTTSWSA-N 0 3 282.300 -1.168 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001392508361 888714091 /nfs/dbraw/zinc/71/40/91/888714091.db2.gz XNBPZFDJTOBCJC-SCZZXKLOSA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCS(C)(=O)=O ZINC001392490588 888714258 /nfs/dbraw/zinc/71/42/58/888714258.db2.gz SAXSPFNESJIXEG-BDAKNGLRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001392498535 888714298 /nfs/dbraw/zinc/71/42/98/888714298.db2.gz UQOJKTOPQDGFDR-RKDXNWHRSA-N 0 3 298.347 -2.060 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CO[C@@H]1CCOC1 ZINC001392480082 888714719 /nfs/dbraw/zinc/71/47/19/888714719.db2.gz MOHWOSIRAFWLAI-NXEZZACHSA-N 0 3 273.333 -1.368 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001392495516 888715466 /nfs/dbraw/zinc/71/54/66/888715466.db2.gz WRIAOOPMNSDGKJ-MRVPVSSYSA-N 0 3 297.315 -2.211 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN1CCCNC1=O ZINC001392490981 888715487 /nfs/dbraw/zinc/71/54/87/888715487.db2.gz IEYIOZZCOVXBFE-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001392488961 888715586 /nfs/dbraw/zinc/71/55/86/888715586.db2.gz VIDXMBJEFBEAIL-ZJUUUORDSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CNCC(=O)N1CCOCC1)NC(=O)c1ncc[nH]1 ZINC001392478029 888715618 /nfs/dbraw/zinc/71/56/18/888715618.db2.gz WWXMXDKOTBJITF-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001392507463 888715677 /nfs/dbraw/zinc/71/56/77/888715677.db2.gz SLONIARXVNEMEP-RKDXNWHRSA-N 0 3 285.348 -1.712 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001392507461 888715776 /nfs/dbraw/zinc/71/57/76/888715776.db2.gz SLONIARXVNEMEP-BDAKNGLRSA-N 0 3 285.348 -1.712 20 0 CAADHN COc1cc(=O)[nH]cc1C(=O)N[C@H](C)CNCC(N)=O ZINC001392512280 888715846 /nfs/dbraw/zinc/71/58/46/888715846.db2.gz XMHHIKCFNKTPEO-SSDOTTSWSA-N 0 3 282.300 -1.011 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CO[C@H]1CCOC1 ZINC001392480083 888715907 /nfs/dbraw/zinc/71/59/07/888715907.db2.gz MOHWOSIRAFWLAI-ZJUUUORDSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)CC[NH+](C)C ZINC001392506561 888715919 /nfs/dbraw/zinc/71/59/19/888715919.db2.gz VRMZXDLXOYRIOY-SECBINFHSA-N 0 3 284.364 -1.346 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ccncn1 ZINC001392515738 888715970 /nfs/dbraw/zinc/71/59/70/888715970.db2.gz KFZAVUIVQOFVPK-MRVPVSSYSA-N 0 3 291.315 -1.194 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)n[nH]1 ZINC001392512129 888716027 /nfs/dbraw/zinc/71/60/27/888716027.db2.gz OFHIOUAJQJOEPA-VDAHYXPESA-N 0 3 280.332 -1.171 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CNC(=O)N1CCCC1 ZINC001392480000 888716062 /nfs/dbraw/zinc/71/60/62/888716062.db2.gz MHAQHJLUBYANQM-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1nnn(C)n1 ZINC001392506886 888716380 /nfs/dbraw/zinc/71/63/80/888716380.db2.gz UDMBVPRDAHVALX-SFYZADRCSA-N 0 3 283.336 -1.605 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001392498533 888716645 /nfs/dbraw/zinc/71/66/45/888716645.db2.gz UQOJKTOPQDGFDR-BDAKNGLRSA-N 0 3 298.347 -2.060 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001392508489 888716728 /nfs/dbraw/zinc/71/67/28/888716728.db2.gz DRDZOTHNHUQLKS-KYXWUPHJSA-N 0 3 298.343 -1.157 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CNCC(=O)N1CCCC1 ZINC001392489414 888716928 /nfs/dbraw/zinc/71/69/28/888716928.db2.gz ZDHBINGEFXTIIF-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001392529903 888718074 /nfs/dbraw/zinc/71/80/74/888718074.db2.gz WDRGDQDYLDXUNS-RKDXNWHRSA-N 0 3 295.343 -1.248 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001392524313 888718118 /nfs/dbraw/zinc/71/81/18/888718118.db2.gz GYSDCJHHPOVAGD-BDAKNGLRSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CCn1cccn1 ZINC001392546386 888718227 /nfs/dbraw/zinc/71/82/27/888718227.db2.gz BTVOLLCEZQMQJF-VIFPVBQESA-N 0 3 296.331 -1.438 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCCO1 ZINC001392544737 888718303 /nfs/dbraw/zinc/71/83/03/888718303.db2.gz XBNAZOAYUFIGNU-YUMQZZPRSA-N 0 3 272.305 -1.545 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1ccncc1 ZINC001392541058 888718376 /nfs/dbraw/zinc/71/83/76/888718376.db2.gz GAQPOKIKWGPFKQ-QMMMGPOBSA-N 0 3 279.300 -1.016 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cnn(C)c1N ZINC001392552346 888718421 /nfs/dbraw/zinc/71/84/21/888718421.db2.gz APJRLKKVHHARQA-JGVFFNPUSA-N 0 3 282.348 -1.155 20 0 CAADHN Cc1c(C(=O)N[C@@H](C)CNCC(=O)N(C)C)nnn1C ZINC001392551936 888718492 /nfs/dbraw/zinc/71/84/92/888718492.db2.gz GBULJVBDEADNFE-QMMMGPOBSA-N 0 3 282.348 -1.080 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CN[C@H]2CCCNC2=O)C1 ZINC001392558979 888718757 /nfs/dbraw/zinc/71/87/57/888718757.db2.gz YODGHNUIBDNMTP-CABZTGNLSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCCC(N)=O ZINC001392538128 888718942 /nfs/dbraw/zinc/71/89/42/888718942.db2.gz SEHDGUWDIPWFDU-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN CCOCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(=O)NC ZINC001392543343 888718971 /nfs/dbraw/zinc/71/89/71/888718971.db2.gz OPJHWJXGYASCPF-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CO[C@H](C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)C1CC1 ZINC001392559000 888719104 /nfs/dbraw/zinc/71/91/04/888719104.db2.gz YTEMRWTWXGWSGT-XVKPBYJWSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001392549983 888719378 /nfs/dbraw/zinc/71/93/78/888719378.db2.gz KPQRNHLULHFORH-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CN[C@@H]2CCCNC2=O)C1 ZINC001392558981 888719557 /nfs/dbraw/zinc/71/95/57/888719557.db2.gz YODGHNUIBDNMTP-JOYOIKCWSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)Cn1cncn1 ZINC001392533259 888719796 /nfs/dbraw/zinc/71/97/96/888719796.db2.gz RQKMTWDNZJFVEC-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001392529902 888719823 /nfs/dbraw/zinc/71/98/23/888719823.db2.gz WDRGDQDYLDXUNS-BDAKNGLRSA-N 0 3 295.343 -1.248 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cnn(C)c1N ZINC001392552351 888720281 /nfs/dbraw/zinc/72/02/81/888720281.db2.gz APJRLKKVHHARQA-YUMQZZPRSA-N 0 3 282.348 -1.155 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C1=COCCO1 ZINC001392540462 888720649 /nfs/dbraw/zinc/72/06/49/888720649.db2.gz FFTFVIJBPJELGV-ZETCQYMHSA-N 0 3 286.288 -1.836 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001392530582 888720680 /nfs/dbraw/zinc/72/06/80/888720680.db2.gz LULPFACEEDKXPY-KXUCPTDWSA-N 0 3 299.375 -1.194 20 0 CAADHN Cc1nc([C@H](C)NC[C@H](C)NC(=O)Cn2cnnn2)n[nH]1 ZINC001392542717 888721171 /nfs/dbraw/zinc/72/11/71/888721171.db2.gz OMGNHNMFAFPEQA-YUMQZZPRSA-N 0 3 293.335 -1.045 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cccnn1 ZINC001392600227 888722056 /nfs/dbraw/zinc/72/20/56/888722056.db2.gz JZBCUDMFESZXKM-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)c1 ZINC001392569023 888722079 /nfs/dbraw/zinc/72/20/79/888722079.db2.gz DWPDZRPKCAXBIP-ONGXEEELSA-N 0 3 292.339 -1.018 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001392578892 888722109 /nfs/dbraw/zinc/72/21/09/888722109.db2.gz HPEVOCBRKBVTPI-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)c1 ZINC001392569013 888722145 /nfs/dbraw/zinc/72/21/45/888722145.db2.gz DWPDZRPKCAXBIP-GXSJLCMTSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001392569194 888722440 /nfs/dbraw/zinc/72/24/40/888722440.db2.gz ICYKAPBNOQSXBK-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001392576463 888722509 /nfs/dbraw/zinc/72/25/09/888722509.db2.gz OQEQSPSNARTRNB-ZANVPECISA-N 0 3 284.360 -1.257 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001392591299 888722737 /nfs/dbraw/zinc/72/27/37/888722737.db2.gz PKWBAIQVOUIQNS-VIFPVBQESA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cccc(=O)n1C)C(N)=O ZINC001392597087 888722779 /nfs/dbraw/zinc/72/27/79/888722779.db2.gz XRNZCNJNPZFNAT-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN COC[C@H](OC)C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001392599379 888723291 /nfs/dbraw/zinc/72/32/91/888723291.db2.gz LRENOFZNPBTTHC-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392584077 888723584 /nfs/dbraw/zinc/72/35/84/888723584.db2.gz YZQBSKMCNSOEEV-UWVGGRQHSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001392589961 888723632 /nfs/dbraw/zinc/72/36/32/888723632.db2.gz KSJUQYDNYRHKKQ-IUCAKERBSA-N 0 3 293.327 -1.244 20 0 CAADHN COc1c[nH]c(C(=O)N[C@@H](C)CN[C@H](C)C(N)=O)cc1=O ZINC001392581165 888723905 /nfs/dbraw/zinc/72/39/05/888723905.db2.gz SHJAHSMPVMWKMN-JGVFFNPUSA-N 0 3 296.327 -1.035 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H](C)CC(N)=O ZINC001392582236 888724040 /nfs/dbraw/zinc/72/40/40/888724040.db2.gz GAMINODCYGJQQW-BDAKNGLRSA-N 0 3 272.349 -1.272 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC1CC1 ZINC001392565265 888724084 /nfs/dbraw/zinc/72/40/84/888724084.db2.gz CIMAGIKATCNANU-IUCAKERBSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001392584078 888724116 /nfs/dbraw/zinc/72/41/16/888724116.db2.gz VLNPAKMLBPRBKK-VHSXEESVSA-N 0 3 297.359 -2.599 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001392607280 888724590 /nfs/dbraw/zinc/72/45/90/888724590.db2.gz BGORIDOLCVXPPJ-IONNQARKSA-N 0 3 287.364 -1.351 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001392560466 888724441 /nfs/dbraw/zinc/72/44/41/888724441.db2.gz IPMMVVZWLSZIOG-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCc1cnn(C)n1 ZINC001392589648 888724873 /nfs/dbraw/zinc/72/48/73/888724873.db2.gz ALALTMIMHWBFGB-ONGXEEELSA-N 0 3 294.359 -1.270 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001392584468 888724901 /nfs/dbraw/zinc/72/49/01/888724901.db2.gz FKDADARVNOJOLS-IVZWLZJFSA-N 0 3 284.360 -1.164 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1nc[nH]n1)c1nnnn1C ZINC001392603476 888724954 /nfs/dbraw/zinc/72/49/54/888724954.db2.gz VBULGZYFBBEHDV-NKWVEPMBSA-N 0 3 279.308 -1.203 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccnc2n[nH]nc21 ZINC001392575254 888724990 /nfs/dbraw/zinc/72/49/90/888724990.db2.gz POASZIYJTFLMJR-LURJTMIESA-N 0 3 277.288 -1.454 20 0 CAADHN C[C@H](CN(C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCCN1C ZINC001392644477 888727149 /nfs/dbraw/zinc/72/71/49/888727149.db2.gz VBVDXHUBPFQPLM-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cn1cncn1)C(=O)N(C)C ZINC001392612666 888728902 /nfs/dbraw/zinc/72/89/02/888728902.db2.gz IAFGLHZQPNYMDD-VHSXEESVSA-N 0 3 282.348 -1.151 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)Cn2cncn2)n[nH]1 ZINC001392618634 888729006 /nfs/dbraw/zinc/72/90/06/888729006.db2.gz XYWVLZLUYSVXFW-QMMMGPOBSA-N 0 3 278.320 -1.001 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CCNC(N)=O ZINC001392613377 888729230 /nfs/dbraw/zinc/72/92/30/888729230.db2.gz KKGPJWCQPSDKLU-QMMMGPOBSA-N 0 3 273.337 -1.725 20 0 CAADHN CC[C@@H](C(=O)N[C@H](C)CNC(=O)Cn1ncnn1)N(C)C ZINC001392613782 888729460 /nfs/dbraw/zinc/72/94/60/888729460.db2.gz LOPBLNRUOKQDLW-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN(C)C[C@@H](O)COC ZINC001392661137 888729871 /nfs/dbraw/zinc/72/98/71/888729871.db2.gz SRPYEPTXDXLQQO-VHSXEESVSA-N 0 3 290.364 -1.641 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001392721704 888730901 /nfs/dbraw/zinc/73/09/01/888730901.db2.gz ORKFOWIPKLLDMF-AXFHLTTASA-N 0 3 287.360 -1.291 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001392721712 888730941 /nfs/dbraw/zinc/73/09/41/888730941.db2.gz ORKFOWIPKLLDMF-MXWKQRLJSA-N 0 3 287.360 -1.291 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)COCc1nncn1C ZINC001392705824 888731862 /nfs/dbraw/zinc/73/18/62/888731862.db2.gz KGXKOOVBSCWODH-JTQLQIEISA-N 0 3 285.348 -1.240 20 0 CAADHN O=C(Cn1ncnn1)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001392774627 888735763 /nfs/dbraw/zinc/73/57/63/888735763.db2.gz QYATYEOASNWSQW-VHSXEESVSA-N 0 3 293.331 -1.954 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001392756838 888735885 /nfs/dbraw/zinc/73/58/85/888735885.db2.gz FQMUPJXNYZXGTG-RYUDHWBXSA-N 0 3 299.371 -1.026 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001392789904 888736261 /nfs/dbraw/zinc/73/62/61/888736261.db2.gz BUGZAQPYLLXKJA-ZJUUUORDSA-N 0 3 297.359 -1.712 20 0 CAADHN Cn1ncc(CCC(=O)N[C@@H](CNCC(N)=O)C2CC2)n1 ZINC001392790569 888736326 /nfs/dbraw/zinc/73/63/26/888736326.db2.gz BZMUVKFNRHYPPU-NSHDSACASA-N 0 3 294.359 -1.283 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)Cn1ncnn1)C1CC1)C(N)=O ZINC001392775938 888736374 /nfs/dbraw/zinc/73/63/74/888736374.db2.gz VZWOKNRQYLRLKS-IONNQARKSA-N 0 3 281.320 -1.969 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](NC(=O)CNC(C)=O)C1CC1 ZINC001392770207 888736786 /nfs/dbraw/zinc/73/67/86/888736786.db2.gz UTJRZJTURCJQEX-GZMMTYOYSA-N 0 3 284.360 -1.259 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001392774626 888736866 /nfs/dbraw/zinc/73/68/66/888736866.db2.gz QYATYEOASNWSQW-UWVGGRQHSA-N 0 3 293.331 -1.954 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001392759556 888736955 /nfs/dbraw/zinc/73/69/55/888736955.db2.gz HMUJLYVURLDXFY-NWDGAFQWSA-N 0 3 298.387 -1.453 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001392789898 888737449 /nfs/dbraw/zinc/73/74/49/888737449.db2.gz BUGZAQPYLLXKJA-NXEZZACHSA-N 0 3 297.359 -1.712 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001392759561 888738182 /nfs/dbraw/zinc/73/81/82/888738182.db2.gz HMUJLYVURLDXFY-VXGBXAGGSA-N 0 3 298.387 -1.453 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)c1cnn(C)n1)C1CC1)C(N)=O ZINC001392796504 888739449 /nfs/dbraw/zinc/73/94/49/888739449.db2.gz JFOXDOXOMZDELT-APPZFPTMSA-N 0 3 280.332 -1.213 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001392803608 888739787 /nfs/dbraw/zinc/73/97/87/888739787.db2.gz SMPPIEQBPGTFSU-NXEZZACHSA-N 0 3 282.344 -1.375 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CCN1CCOCC1)C1CC1 ZINC001392800781 888739838 /nfs/dbraw/zinc/73/98/38/888739838.db2.gz PPNPPZKWMICYFC-GFCCVEGCSA-N 0 3 298.387 -1.322 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CCn1cnnn1)C1CC1 ZINC001392802147 888739995 /nfs/dbraw/zinc/73/99/95/888739995.db2.gz OTHRYVKQNYKOSB-JTQLQIEISA-N 0 3 295.347 -1.706 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC1 ZINC001392797419 888740120 /nfs/dbraw/zinc/74/01/20/888740120.db2.gz YVELPGYVWZVAAR-VWYCJHECSA-N 0 3 296.371 -1.142 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)c1cnn(C)n1)C1CC1)C(N)=O ZINC001392796512 888740323 /nfs/dbraw/zinc/74/03/23/888740323.db2.gz JFOXDOXOMZDELT-IONNQARKSA-N 0 3 280.332 -1.213 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CCN1CCOCC1)C1CC1 ZINC001392800784 888740631 /nfs/dbraw/zinc/74/06/31/888740631.db2.gz PPNPPZKWMICYFC-LBPRGKRZSA-N 0 3 298.387 -1.322 20 0 CAADHN CC[C@@H](NC1(CNC(=O)C[C@H](C)NC(N)=O)CC1)C(N)=O ZINC001392897766 888743439 /nfs/dbraw/zinc/74/34/39/888743439.db2.gz NHNWENRMGSCJCM-DTWKUNHWSA-N 0 3 299.375 -1.064 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)CNC(C)=O ZINC001394036517 888810997 /nfs/dbraw/zinc/81/09/97/888810997.db2.gz MWVYWGIBXFWPES-ONGXEEELSA-N 0 3 275.349 -1.434 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)Cn1cnnn1)C(N)=O ZINC001393030530 888751302 /nfs/dbraw/zinc/75/13/02/888751302.db2.gz GBAJTWBXNWZNDJ-BDAKNGLRSA-N 0 3 281.320 -1.873 20 0 CAADHN CN(C(=O)Cc1c[nH]cn1)C1CN(CC(=O)NC(N)=O)C1 ZINC001393017539 888752690 /nfs/dbraw/zinc/75/26/90/888752690.db2.gz FJXKOYMEICCGQF-UHFFFAOYSA-N 0 3 294.315 -1.710 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001393036483 888754245 /nfs/dbraw/zinc/75/42/45/888754245.db2.gz UQWLUFSFFNDTRX-QMMMGPOBSA-N 0 3 272.305 -1.592 20 0 CAADHN COC[C@H](O)CN1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001393098543 888754290 /nfs/dbraw/zinc/75/42/90/888754290.db2.gz SEPJZNZFEYJJSA-PWSUYJOCSA-N 0 3 298.347 -1.739 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001393035662 888754622 /nfs/dbraw/zinc/75/46/22/888754622.db2.gz PHSHKZOBVLXGMQ-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CCNC1=O ZINC001393051393 888754724 /nfs/dbraw/zinc/75/47/24/888754724.db2.gz YWDDJBVXUFRZKC-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN COC[C@H](O)CN1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001393098546 888754824 /nfs/dbraw/zinc/75/48/24/888754824.db2.gz SEPJZNZFEYJJSA-ZYHUDNBSSA-N 0 3 298.347 -1.739 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001393035660 888755360 /nfs/dbraw/zinc/75/53/60/888755360.db2.gz PHSHKZOBVLXGMQ-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CCNC1=O ZINC001393051399 888755495 /nfs/dbraw/zinc/75/54/95/888755495.db2.gz YWDDJBVXUFRZKC-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@H]1CNCC(=O)NC ZINC001393037644 888755761 /nfs/dbraw/zinc/75/57/61/888755761.db2.gz XRRLVDNRSKMSQF-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)c1cnn(C)n1)C(N)=O ZINC001393046955 888755788 /nfs/dbraw/zinc/75/57/88/888755788.db2.gz KEHGDKAAAZEDJN-IUCAKERBSA-N 0 3 280.332 -1.117 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)c1ncn(C)n1)C(N)=O ZINC001393044889 888755906 /nfs/dbraw/zinc/75/59/06/888755906.db2.gz RQMLNMONYSJFOJ-RKDXNWHRSA-N 0 3 280.332 -1.117 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)c1cnn(C)n1)C(N)=O ZINC001393046952 888756160 /nfs/dbraw/zinc/75/61/60/888756160.db2.gz KEHGDKAAAZEDJN-BDAKNGLRSA-N 0 3 280.332 -1.117 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H]1CCNC1=O ZINC001393043679 888756180 /nfs/dbraw/zinc/75/61/80/888756180.db2.gz DFSKPVQJQWYXIC-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001393036480 888756281 /nfs/dbraw/zinc/75/62/81/888756281.db2.gz UQWLUFSFFNDTRX-MRVPVSSYSA-N 0 3 272.305 -1.592 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001393035070 888756439 /nfs/dbraw/zinc/75/64/39/888756439.db2.gz ZKTCLYBKTVBJCM-NEPJUHHUSA-N 0 3 296.371 -1.066 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@H]1CN[C@H](C)C(N)=O ZINC001393036418 888756533 /nfs/dbraw/zinc/75/65/33/888756533.db2.gz TYBOWLALDJYAGA-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)c1ncn(C)n1)C(N)=O ZINC001393044884 888756688 /nfs/dbraw/zinc/75/66/88/888756688.db2.gz RQMLNMONYSJFOJ-IUCAKERBSA-N 0 3 280.332 -1.117 20 0 CAADHN C[C@]1(C(=O)N2CCC[C@H]2CNCC(N)=O)CCNC(=O)C1 ZINC001393054980 888756819 /nfs/dbraw/zinc/75/68/19/888756819.db2.gz WCGFNXYDIUDTNK-HZMBPMFUSA-N 0 3 296.371 -1.031 20 0 CAADHN COC[C@@H](O)CN1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001393098539 888756855 /nfs/dbraw/zinc/75/68/55/888756855.db2.gz SEPJZNZFEYJJSA-JQWIXIFHSA-N 0 3 298.347 -1.739 20 0 CAADHN C[C@@]1(NC(=O)Cn2ccc(=O)[nH]c2=O)CCN(CCO)C1 ZINC001393123934 888758404 /nfs/dbraw/zinc/75/84/04/888758404.db2.gz YSWRSOHFQJAOCN-CYBMUJFWSA-N 0 3 296.327 -1.478 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2cncnc2)CCOCC1 ZINC001393214595 888758459 /nfs/dbraw/zinc/75/84/59/888758459.db2.gz JXVKIWSJKFKBDU-UHFFFAOYSA-N 0 3 293.327 -1.170 20 0 CAADHN NC(=O)CNC1(CNC(=O)C2=COCCO2)CCOCC1 ZINC001393197291 888758727 /nfs/dbraw/zinc/75/87/27/888758727.db2.gz JDGQBIMWZMXNJW-UHFFFAOYSA-N 0 3 299.327 -1.385 20 0 CAADHN COC[C@H](O)CN1CC[C@@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001393112549 888758926 /nfs/dbraw/zinc/75/89/26/888758926.db2.gz BHQVKBWLLRDNGJ-UHIISALHSA-N 0 3 299.371 -1.147 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2cccnn2)CCOCC1 ZINC001393219795 888759231 /nfs/dbraw/zinc/75/92/31/888759231.db2.gz LIUGUJFXKHSKLE-UHFFFAOYSA-N 0 3 293.327 -1.170 20 0 CAADHN C[C@@H](CC(=O)NC[C@]1(O)CCN(CCO)C1)NC(N)=O ZINC001393249251 888764198 /nfs/dbraw/zinc/76/41/98/888764198.db2.gz LLXKJBWWNIGLGW-JOYOIKCWSA-N 0 3 288.348 -2.021 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@@H]1CCNC(=O)C1 ZINC001393246151 888764713 /nfs/dbraw/zinc/76/47/13/888764713.db2.gz DHULKOJMRSTHRJ-MFKMUULPSA-N 0 3 285.344 -1.942 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@@H]1CCNC(=O)C1 ZINC001393246155 888765158 /nfs/dbraw/zinc/76/51/58/888765158.db2.gz DHULKOJMRSTHRJ-ZWNOBZJWSA-N 0 3 285.344 -1.942 20 0 CAADHN Cn1nnc(C(=O)NC[C@@]2(O)CCN(CCCO)C2)n1 ZINC001393257100 888766098 /nfs/dbraw/zinc/76/60/98/888766098.db2.gz PJSCMHDVNPFLFT-NSHDSACASA-N 0 3 284.320 -2.241 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001393275318 888767088 /nfs/dbraw/zinc/76/70/88/888767088.db2.gz MSDNTAWXVGNITI-DGCLKSJQSA-N 0 3 287.360 -1.554 20 0 CAADHN Cc1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)cnn1 ZINC001393250931 888767635 /nfs/dbraw/zinc/76/76/35/888767635.db2.gz ZMVCAOTXNZUONX-CYBMUJFWSA-N 0 3 280.328 -1.056 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001393268734 888769256 /nfs/dbraw/zinc/76/92/56/888769256.db2.gz BFCATPJYLDRQCM-GBIKHYSHSA-N 0 3 285.344 -1.693 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001393268740 888769365 /nfs/dbraw/zinc/76/93/65/888769365.db2.gz BFCATPJYLDRQCM-NRUUGDAUSA-N 0 3 285.344 -1.693 20 0 CAADHN C[C@H](O)CN1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001393271200 888769608 /nfs/dbraw/zinc/76/96/08/888769608.db2.gz AFWJWQDXQLECPY-KWQFWETISA-N 0 3 270.289 -1.383 20 0 CAADHN Cn1cccc(C(=O)NC[C@]2(O)CCN(CCO)C2)c1=O ZINC001393288053 888770954 /nfs/dbraw/zinc/77/09/54/888770954.db2.gz XHJGOFNSJBMZMQ-CQSZACIVSA-N 0 3 295.339 -1.456 20 0 CAADHN CCn1cc(CC(=O)NC[C@]2(O)CCN(CCO)C2)cn1 ZINC001393286051 888771260 /nfs/dbraw/zinc/77/12/60/888771260.db2.gz RKEAPERTTCVPTN-CQSZACIVSA-N 0 3 296.371 -1.009 20 0 CAADHN CN(C)C1(C(=O)NCC2(O)CN(CCO)C2)CCC1 ZINC001393321177 888777832 /nfs/dbraw/zinc/77/78/32/888777832.db2.gz WYOITSHMZXMMKW-UHFFFAOYSA-N 0 3 271.361 -1.374 20 0 CAADHN CC[C@@H](C(=O)NCC1(O)CN(CCCO)C1)N(C)C ZINC001393362605 888781959 /nfs/dbraw/zinc/78/19/59/888781959.db2.gz VMDJMTSFJPTCFW-NSHDSACASA-N 0 3 273.377 -1.128 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@@H]1CCOC1)C(N)=O ZINC001393458107 888784747 /nfs/dbraw/zinc/78/47/47/888784747.db2.gz FLXXHDPAKWNKGF-VHSXEESVSA-N 0 3 273.333 -1.693 20 0 CAADHN Cn1cc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)cn1 ZINC001393458594 888785259 /nfs/dbraw/zinc/78/52/59/888785259.db2.gz GUPMICWMLRGZII-LLVKDONJSA-N 0 3 295.343 -1.667 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cn1cnnn1)C(N)=O ZINC001393463538 888785395 /nfs/dbraw/zinc/78/53/95/888785395.db2.gz MAQUIDPCQHCEGI-MRVPVSSYSA-N 0 3 285.308 -3.043 20 0 CAADHN CO[C@H](C(=O)N(CCO)CCN[C@H]1CCNC1=O)C1CC1 ZINC001393459315 888785477 /nfs/dbraw/zinc/78/54/77/888785477.db2.gz PGYNHAXKEIQGMX-RYUDHWBXSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H]1CCOC1)C(N)=O ZINC001393458090 888786280 /nfs/dbraw/zinc/78/62/80/888786280.db2.gz FLXXHDPAKWNKGF-UWVGGRQHSA-N 0 3 273.333 -1.693 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001393466979 888786387 /nfs/dbraw/zinc/78/63/87/888786387.db2.gz FKOHCVJNQJAKMB-IUCAKERBSA-N 0 3 286.332 -2.451 20 0 CAADHN CO[C@@H](C(=O)N(CCO)CCN[C@@H]1CCNC1=O)C1CC1 ZINC001393459316 888786624 /nfs/dbraw/zinc/78/66/24/888786624.db2.gz PGYNHAXKEIQGMX-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN CO[C@@H](C(=O)N(CCO)CCN[C@H]1CCNC1=O)C1CC1 ZINC001393459311 888786909 /nfs/dbraw/zinc/78/69/09/888786909.db2.gz PGYNHAXKEIQGMX-NWDGAFQWSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cn1cnnn1)C(N)=O ZINC001393463687 888786993 /nfs/dbraw/zinc/78/69/93/888786993.db2.gz MAQUIDPCQHCEGI-QMMMGPOBSA-N 0 3 285.308 -3.043 20 0 CAADHN Cc1ncoc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001393458612 888787068 /nfs/dbraw/zinc/78/70/68/888787068.db2.gz OCOOPVUBEYTFTC-VIFPVBQESA-N 0 3 284.316 -1.119 20 0 CAADHN O=C([C@@H]1CCOC1)N(CCO)CCN[C@H]1CCNC1=O ZINC001393458585 888787267 /nfs/dbraw/zinc/78/72/67/888787267.db2.gz GTENKRDZPBJWCI-MNOVXSKESA-N 0 3 285.344 -1.678 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001393390423 888787337 /nfs/dbraw/zinc/78/73/37/888787337.db2.gz ONHZZEQQUNPCIA-IUCAKERBSA-N 0 3 280.332 -1.009 20 0 CAADHN CCOCC(=O)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001393461921 888787464 /nfs/dbraw/zinc/78/74/64/888787464.db2.gz KGWQFGPLQFYLTR-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN CCOCC(=O)N(CCO)CCN[C@H]1CCCNC1=O ZINC001393461924 888787596 /nfs/dbraw/zinc/78/75/96/888787596.db2.gz KGWQFGPLQFYLTR-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN Cn1nnc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)n1 ZINC001393465442 888787664 /nfs/dbraw/zinc/78/76/64/888787664.db2.gz WETVOTZUBMUFJG-QMMMGPOBSA-N 0 3 297.319 -2.877 20 0 CAADHN O=C([C@@H]1CCOC1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001393458582 888788224 /nfs/dbraw/zinc/78/82/24/888788224.db2.gz GTENKRDZPBJWCI-GHMZBOCLSA-N 0 3 285.344 -1.678 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)Cn1cnnn1 ZINC001393465876 888788387 /nfs/dbraw/zinc/78/83/87/888788387.db2.gz QLHHOPKDLOYHKD-VIFPVBQESA-N 0 3 299.335 -2.782 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cn1ccnc1)C(N)=O ZINC001393483799 888789818 /nfs/dbraw/zinc/78/98/18/888789818.db2.gz UDETWKXOCRXIRL-JTQLQIEISA-N 0 3 283.332 -1.833 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cn1ccnc1)C(N)=O ZINC001393483800 888790312 /nfs/dbraw/zinc/79/03/12/888790312.db2.gz UDETWKXOCRXIRL-SNVBAGLBSA-N 0 3 283.332 -1.833 20 0 CAADHN CC[C@H](C(=O)NC[C@@H]1COCCN1CC(N)=O)N(C)C ZINC001393507221 888791592 /nfs/dbraw/zinc/79/15/92/888791592.db2.gz MZFNCHKRMCROIT-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H](C)NC(N)=O ZINC001393523256 888791879 /nfs/dbraw/zinc/79/18/79/888791879.db2.gz HAKDRDOEHIVQCM-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C[C@H]1CCCO1)C(N)=O ZINC001393468210 888791992 /nfs/dbraw/zinc/79/19/92/888791992.db2.gz USPMTJQSHPGMCU-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN COCCC(=O)N1CCO[C@@H](CN[C@@H](C)C(N)=O)C1 ZINC001393570097 888793970 /nfs/dbraw/zinc/79/39/70/888793970.db2.gz LXITUVPRHYMJFV-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN CC[C@H](NC[C@@H]1CN(C(=O)COC)CCO1)C(N)=O ZINC001393570880 888793328 /nfs/dbraw/zinc/79/33/28/888793328.db2.gz QCPYGGKGIPRVKY-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CCC1 ZINC001393552762 888793354 /nfs/dbraw/zinc/79/33/54/888793354.db2.gz WYCXVSHOYYNUEB-DTWKUNHWSA-N 0 3 282.344 -1.388 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2nonc2C)CCO1 ZINC001393584845 888793480 /nfs/dbraw/zinc/79/34/80/888793480.db2.gz GXONPVUCRGCWFA-SECBINFHSA-N 0 3 297.315 -1.445 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)cnn1 ZINC001393578056 888794093 /nfs/dbraw/zinc/79/40/93/888794093.db2.gz JKLFSPWVPKSJFF-NSHDSACASA-N 0 3 293.327 -1.299 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001393573981 888794353 /nfs/dbraw/zinc/79/43/53/888794353.db2.gz GCGAQIQFPWOBFE-BDAKNGLRSA-N 0 3 286.332 -2.200 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2ccnn2C)CCO1)C(N)=O ZINC001393584405 888794461 /nfs/dbraw/zinc/79/44/61/888794461.db2.gz QVPRVNUMWXTXSR-UWVGGRQHSA-N 0 3 295.343 -1.276 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001393577527 888794943 /nfs/dbraw/zinc/79/49/43/888794943.db2.gz GXIXNTNVIYBNNP-SNVBAGLBSA-N 0 3 286.332 -2.233 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1)C(N)=O ZINC001393577415 888794797 /nfs/dbraw/zinc/79/47/97/888794797.db2.gz ISSMDPZBXCCNIR-WDEREUQCSA-N 0 3 299.371 -1.018 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001393579825 888794856 /nfs/dbraw/zinc/79/48/56/888794856.db2.gz LLPLSJMXUXZMGO-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cncn2C)CCO1)C(N)=O ZINC001393578752 888794970 /nfs/dbraw/zinc/79/49/70/888794970.db2.gz XGBVXVLBZZRAQW-ZJUUUORDSA-N 0 3 295.343 -1.276 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCOC2)CCO1 ZINC001393587185 888795055 /nfs/dbraw/zinc/79/50/55/888795055.db2.gz UZHXEJFPLDOWFZ-GHMZBOCLSA-N 0 3 285.344 -1.285 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CNC(=O)C2CC2)CCC1 ZINC001393541130 888795116 /nfs/dbraw/zinc/79/51/16/888795116.db2.gz SYDALWVEATVTAA-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)COCC)CCO1 ZINC001393571542 888795522 /nfs/dbraw/zinc/79/55/22/888795522.db2.gz MOPNTYJJSZDQHV-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001393582342 888795655 /nfs/dbraw/zinc/79/56/55/888795655.db2.gz FJCXZAFIJYCVBE-DTWKUNHWSA-N 0 3 299.331 -2.769 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCOC2)CCO1 ZINC001393587203 888795795 /nfs/dbraw/zinc/79/57/95/888795795.db2.gz UZHXEJFPLDOWFZ-WDEREUQCSA-N 0 3 285.344 -1.285 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CCNC(N)=O)CCO1 ZINC001393584051 888795889 /nfs/dbraw/zinc/79/58/89/888795889.db2.gz LIHDQYUIDAMZCO-QMMMGPOBSA-N 0 3 287.320 -2.653 20 0 CAADHN CCOCC(=O)N1CCO[C@@H](CN[C@@H](C)C(=O)NC)C1 ZINC001393572397 888796128 /nfs/dbraw/zinc/79/61/28/888796128.db2.gz QZNUPRPVEMBBCF-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001393579826 888796069 /nfs/dbraw/zinc/79/60/69/888796069.db2.gz LLPLSJMXUXZMGO-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN Cc1cnn(C)c1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001393573859 888796487 /nfs/dbraw/zinc/79/64/87/888796487.db2.gz FLJAQCTYALYWQQ-JTQLQIEISA-N 0 3 295.343 -1.356 20 0 CAADHN Cc1cnoc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001393580119 888796535 /nfs/dbraw/zinc/79/65/35/888796535.db2.gz DFWJOXHPOIENKD-VIFPVBQESA-N 0 3 282.300 -1.101 20 0 CAADHN CN1CCO[C@@H](C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001393547228 888796583 /nfs/dbraw/zinc/79/65/83/888796583.db2.gz SFULSWRCKREJDB-SNVBAGLBSA-N 0 3 284.360 -1.569 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2c[nH]c(=O)cn2)CCC1 ZINC001393557350 888796781 /nfs/dbraw/zinc/79/67/81/888796781.db2.gz BHRKEDJJMUSUGV-UHFFFAOYSA-N 0 3 279.300 -1.503 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2ccnn2C)CCO1)C(N)=O ZINC001393584412 888796862 /nfs/dbraw/zinc/79/68/62/888796862.db2.gz QVPRVNUMWXTXSR-ZJUUUORDSA-N 0 3 295.343 -1.276 20 0 CAADHN NC(=O)CNC1(CNC(=O)C[C@@H]2CCNC2=O)CCC1 ZINC001393546101 888796929 /nfs/dbraw/zinc/79/69/29/888796929.db2.gz QWNBYXQECDSTLZ-VIFPVBQESA-N 0 3 282.344 -1.374 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2ncccn2)CCO1)C(N)=O ZINC001393589189 888798073 /nfs/dbraw/zinc/79/80/73/888798073.db2.gz RJPFBVUWPCORAA-VHSXEESVSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2ncccn2)CCO1)C(N)=O ZINC001393589185 888799336 /nfs/dbraw/zinc/79/93/36/888799336.db2.gz RJPFBVUWPCORAA-NXEZZACHSA-N 0 3 293.327 -1.219 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2ccn[nH]2)CCOCC1 ZINC001393698519 888799702 /nfs/dbraw/zinc/79/97/02/888799702.db2.gz CQYBRCVBPJNMQN-UHFFFAOYSA-N 0 3 281.316 -1.236 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2ncccn2)CCO1)C(N)=O ZINC001393589188 888800694 /nfs/dbraw/zinc/80/06/94/888800694.db2.gz RJPFBVUWPCORAA-UWVGGRQHSA-N 0 3 293.327 -1.219 20 0 CAADHN CC[C@H]([NH2+]C[C@H]1CN(C(=O)c2nc[n-]n2)CCO1)C(N)=O ZINC001393589165 888801277 /nfs/dbraw/zinc/80/12/77/888801277.db2.gz RGWQOHTWFWQBQB-IUCAKERBSA-N 0 3 296.331 -1.501 20 0 CAADHN COCCC(=O)N1CCC(O)(CN[C@@H](C)C(N)=O)CC1 ZINC001393766782 888801830 /nfs/dbraw/zinc/80/18/30/888801830.db2.gz OABDNLBIJREMRC-JTQLQIEISA-N 0 3 287.360 -1.160 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC001393769236 888802739 /nfs/dbraw/zinc/80/27/39/888802739.db2.gz FVVSRRPKJIAKST-HZMBPMFUSA-N 0 3 297.355 -1.549 20 0 CAADHN CC(=O)N1CCC(O)(CNCC(=O)NC(N)=O)CC1 ZINC001393767838 888803134 /nfs/dbraw/zinc/80/31/34/888803134.db2.gz UNQSMMXONPTYKX-UHFFFAOYSA-N 0 3 272.305 -1.856 20 0 CAADHN C[C@@H](NCC1(O)CCN(C(=O)c2cn[nH]c2)CC1)C(N)=O ZINC001393763225 888803510 /nfs/dbraw/zinc/80/35/10/888803510.db2.gz MSYNIEONEHQEJX-SECBINFHSA-N 0 3 295.343 -1.160 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001393740650 888804896 /nfs/dbraw/zinc/80/48/96/888804896.db2.gz BVKWKAABJRDKJA-SFYZADRCSA-N 0 3 271.321 -2.163 20 0 CAADHN C[C@H]1CN(C(=O)CCCC(N)=O)C[C@H]1NCC(N)=O ZINC001393739161 888805207 /nfs/dbraw/zinc/80/52/07/888805207.db2.gz HDDJQZBRMPEQFN-DTWKUNHWSA-N 0 3 270.333 -1.436 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1C ZINC001393728771 888805223 /nfs/dbraw/zinc/80/52/23/888805223.db2.gz JIBHCVUPCGCKFL-WCBMZHEXSA-N 0 3 293.327 -1.022 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC001393766806 888805264 /nfs/dbraw/zinc/80/52/64/888805264.db2.gz RMMANUDAHHXDDA-NSHDSACASA-N 0 3 299.371 -1.016 20 0 CAADHN CN(CCO)C[C@@H]1CCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001393887658 888806991 /nfs/dbraw/zinc/80/69/91/888806991.db2.gz YDOXTFUPLOCLAZ-QWRGUYRKSA-N 0 3 284.360 -1.075 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)[C@H](C)NCCS(C)(=O)=O ZINC001393921303 888807626 /nfs/dbraw/zinc/80/76/26/888807626.db2.gz WDRCQFNJPVKVJO-IUCAKERBSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)c2nnn(C)n2)CC1 ZINC001393840764 888807677 /nfs/dbraw/zinc/80/76/77/888807677.db2.gz BIPKPNOEMXOMKM-VIFPVBQESA-N 0 3 298.347 -1.852 20 0 CAADHN Cn1cc(C(=O)NC2(CO)CCN(CCO)CC2)[nH]c1=O ZINC001393847669 888807897 /nfs/dbraw/zinc/80/78/97/888807897.db2.gz WWPTUZOACAYIEG-UHFFFAOYSA-N 0 3 298.343 -1.325 20 0 CAADHN COCCN1CCC(CO)(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001393841405 888807963 /nfs/dbraw/zinc/80/79/63/888807963.db2.gz DOXKPVRSWIMNMJ-LLVKDONJSA-N 0 3 299.371 -1.146 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001393942792 888810403 /nfs/dbraw/zinc/81/04/03/888810403.db2.gz DJBWBKCEUIIETE-YUMQZZPRSA-N 0 3 291.373 -1.611 20 0 CAADHN CCCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001393950103 888811067 /nfs/dbraw/zinc/81/10/67/888811067.db2.gz MDQHNEWPNAFPRD-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CNC(=O)OC ZINC001393938311 888811107 /nfs/dbraw/zinc/81/11/07/888811107.db2.gz ZIVLLXPVKJHODG-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001393976846 888811147 /nfs/dbraw/zinc/81/11/47/888811147.db2.gz RURKYDZEKSJXBJ-CDDJKKQXSA-N 0 3 298.343 -1.444 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1ncc[nH]1 ZINC001393928358 888811261 /nfs/dbraw/zinc/81/12/61/888811261.db2.gz GPQAYZMVDKYIRZ-YUMQZZPRSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)[C@H](C)NCC(=O)N(C)C ZINC001393934012 888811343 /nfs/dbraw/zinc/81/13/43/888811343.db2.gz YTSHDNJAQRTGOZ-DTWKUNHWSA-N 0 3 283.336 -1.756 20 0 CAADHN CCCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001393950119 888811352 /nfs/dbraw/zinc/81/13/52/888811352.db2.gz MDQHNEWPNAFPRD-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H](NC(=O)[C@H]1[C@@H]2COC[C@@H]21)[C@H](C)NCC(=O)NC(N)=O ZINC001393976859 888811359 /nfs/dbraw/zinc/81/13/59/888811359.db2.gz RURKYDZEKSJXBJ-KSFAHDSMSA-N 0 3 298.343 -1.444 20 0 CAADHN C[C@@H](NC(=O)c1cccnn1)[C@H](C)NCC(=O)NC(N)=O ZINC001393978882 888811365 /nfs/dbraw/zinc/81/13/65/888811365.db2.gz ZJXUOBITYDJDBQ-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001393959335 888811407 /nfs/dbraw/zinc/81/14/07/888811407.db2.gz BULLOUKCIJHZMM-HTQZYQBOSA-N 0 3 281.316 -1.388 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001393934009 888811441 /nfs/dbraw/zinc/81/14/41/888811441.db2.gz YTSHDNJAQRTGOZ-BDAKNGLRSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCN1CCCC1=O ZINC001393990424 888811490 /nfs/dbraw/zinc/81/14/90/888811490.db2.gz CHYFRLOTDBVREW-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN COCCN(C)[C@@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001394063688 888812711 /nfs/dbraw/zinc/81/27/11/888812711.db2.gz WPNWBUHZGHHZGK-VIFPVBQESA-N 0 3 298.347 -1.540 20 0 CAADHN C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)N(C)CCO ZINC001394063783 888813318 /nfs/dbraw/zinc/81/33/18/888813318.db2.gz XFRVJDQDDIOFID-MRVPVSSYSA-N 0 3 284.320 -2.194 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC2N=NC(=O)N2C1)N(C)CCO ZINC001394076965 888813877 /nfs/dbraw/zinc/81/38/77/888813877.db2.gz DHBKMQUWWLQEQS-ZJUUUORDSA-N 0 3 297.359 -1.025 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@@H](C)N(C)CCO ZINC001394065874 888814346 /nfs/dbraw/zinc/81/43/46/888814346.db2.gz IUIILIKYXVUAFI-SNVBAGLBSA-N 0 3 275.349 -1.480 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)CN(C)C(C)=O ZINC001394045621 888814258 /nfs/dbraw/zinc/81/42/58/888814258.db2.gz MAAKWUDMIAXMIK-PWSUYJOCSA-N 0 3 289.376 -1.092 20 0 CAADHN CCC[C@H](C(=O)NC[C@@H](C)N(C)CCO)S(N)(=O)=O ZINC001394089662 888814845 /nfs/dbraw/zinc/81/48/45/888814845.db2.gz AFOXUWHVIPGLBB-NXEZZACHSA-N 0 3 295.405 -1.128 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)N(C)CCO ZINC001394076932 888815028 /nfs/dbraw/zinc/81/50/28/888815028.db2.gz DHBKMQUWWLQEQS-NXEZZACHSA-N 0 3 297.359 -1.025 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)CCn1cncn1 ZINC001394107260 888816234 /nfs/dbraw/zinc/81/62/34/888816234.db2.gz ZPTLMQCYBMWVPU-VHSXEESVSA-N 0 3 295.347 -1.604 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001394121254 888816769 /nfs/dbraw/zinc/81/67/69/888816769.db2.gz CJXSCCGDGJOPEK-MXWKQRLJSA-N 0 3 287.360 -1.291 20 0 CAADHN C[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)N(C)CCO ZINC001394114265 888818556 /nfs/dbraw/zinc/81/85/56/888818556.db2.gz IOLHTLMGZHGBJX-VIFPVBQESA-N 0 3 296.393 -2.189 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001394121251 888818590 /nfs/dbraw/zinc/81/85/90/888818590.db2.gz CJXSCCGDGJOPEK-AXFHLTTASA-N 0 3 287.360 -1.291 20 0 CAADHN CCCC[C@H](CNCC(=O)NC)NC(=O)[C@H]1CNC(=O)N1 ZINC001394203171 888821695 /nfs/dbraw/zinc/82/16/95/888821695.db2.gz IIWRUJMODFSNGU-NXEZZACHSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@@H](NC(=O)CN1CCNC(=O)C1)C1CN(CCCO)C1 ZINC001394245216 888822742 /nfs/dbraw/zinc/82/27/42/888822742.db2.gz OJOPWRXSPIHNNE-LLVKDONJSA-N 0 3 298.387 -1.763 20 0 CAADHN CCCN(C)CC(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001394170723 888822953 /nfs/dbraw/zinc/82/29/53/888822953.db2.gz YABMFLGEVNKLAS-UHFFFAOYSA-N 0 3 286.376 -1.634 20 0 CAADHN CCCC[C@@H](CNCC(=O)NC)NC(=O)[C@@H]1CNC(=O)N1 ZINC001394203173 888823645 /nfs/dbraw/zinc/82/36/45/888823645.db2.gz IIWRUJMODFSNGU-UWVGGRQHSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001394334566 888824682 /nfs/dbraw/zinc/82/46/82/888824682.db2.gz IFIGJSFHXNUFPX-DTWKUNHWSA-N 0 3 296.331 -1.881 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001394334570 888824878 /nfs/dbraw/zinc/82/48/78/888824878.db2.gz IFIGJSFHXNUFPX-IUCAKERBSA-N 0 3 296.331 -1.881 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001394340701 888825468 /nfs/dbraw/zinc/82/54/68/888825468.db2.gz VUYVMSRWDYUQDB-QWRGUYRKSA-N 0 3 295.343 -1.426 20 0 CAADHN C[C@@H](O)CN1CC([C@H](C)NC(=O)CN2CCNC(=O)C2)C1 ZINC001394249913 888825533 /nfs/dbraw/zinc/82/55/33/888825533.db2.gz WJRZBHZTAZQPLC-MNOVXSKESA-N 0 3 298.387 -1.765 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001394340697 888826617 /nfs/dbraw/zinc/82/66/17/888826617.db2.gz VUYVMSRWDYUQDB-MNOVXSKESA-N 0 3 295.343 -1.426 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001394340694 888826721 /nfs/dbraw/zinc/82/67/21/888826721.db2.gz VUYVMSRWDYUQDB-GHMZBOCLSA-N 0 3 295.343 -1.426 20 0 CAADHN C[C@@H](NC(=O)CN1CCNC(=O)C1)C1CN(C[C@H](C)O)C1 ZINC001394249922 888827382 /nfs/dbraw/zinc/82/73/82/888827382.db2.gz WJRZBHZTAZQPLC-WDEREUQCSA-N 0 3 298.387 -1.765 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1 ZINC001394498073 888828342 /nfs/dbraw/zinc/82/83/42/888828342.db2.gz JLLNYRLBWYRVSD-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H]1CCNC1=O ZINC001394503999 888828930 /nfs/dbraw/zinc/82/89/30/888828930.db2.gz OUQRRAQXTSQGJJ-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccon1)NCC(=O)NC(N)=O ZINC001394462473 888828986 /nfs/dbraw/zinc/82/89/86/888828986.db2.gz MWLQNJAXWZFMNR-ZETCQYMHSA-N 0 3 283.288 -1.080 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nnn(C)n1)N[C@@H](C)C(=O)N(C)C ZINC001394509110 888829245 /nfs/dbraw/zinc/82/92/45/888829245.db2.gz SZXJKLHDRDYJNP-IUCAKERBSA-N 0 3 297.363 -1.263 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)NCC(=O)NC1CC1 ZINC001394468399 888829861 /nfs/dbraw/zinc/82/98/61/888829861.db2.gz OPAYDYRMOBZFQH-IUCAKERBSA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)NCC(N)=O ZINC001394507310 888829997 /nfs/dbraw/zinc/82/99/97/888829997.db2.gz IARDNYIVBKLZBR-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN COCC(=O)N(C)CC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001394503633 888830037 /nfs/dbraw/zinc/83/00/37/888830037.db2.gz NPUWNQBIFXZVSE-SECBINFHSA-N 0 3 288.348 -1.987 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)CNC(=O)NC ZINC001394495018 888830197 /nfs/dbraw/zinc/83/01/97/888830197.db2.gz DIJBLVPWGHZBGZ-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN CN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H](CNCC(N)=O)C1CC1 ZINC001394429718 888830270 /nfs/dbraw/zinc/83/02/70/888830270.db2.gz GPDBXPPRLBPBCL-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN CN(C(=O)[C@@H]1CN(C)CCO1)[C@H](CNCC(N)=O)C1CC1 ZINC001394429238 888830315 /nfs/dbraw/zinc/83/03/15/888830315.db2.gz QPRSOKJIXZMSBM-NEPJUHHUSA-N 0 3 298.387 -1.371 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](C)N[C@@H]2CCNC2=O)[nH]1 ZINC001394483891 888830353 /nfs/dbraw/zinc/83/03/53/888830353.db2.gz RDGCJCKWBJIMTB-WCBMZHEXSA-N 0 3 294.359 -1.019 20 0 CAADHN C[C@H](CN(C)C(=O)c1nccnc1N)N[C@@H](C)C(N)=O ZINC001394470209 888830452 /nfs/dbraw/zinc/83/04/52/888830452.db2.gz RBPRGFJJPHYEGJ-SFYZADRCSA-N 0 3 280.332 -1.017 20 0 CAADHN CN(C(=O)CN1CCCC1=O)[C@@H](CNCC(N)=O)C1CC1 ZINC001394416666 888830779 /nfs/dbraw/zinc/83/07/79/888830779.db2.gz FCCZKRYVNWUSGW-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](C)N[C@H]2CCNC2=O)[nH]1 ZINC001394483888 888830843 /nfs/dbraw/zinc/83/08/43/888830843.db2.gz RDGCJCKWBJIMTB-SCZZXKLOSA-N 0 3 294.359 -1.019 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001394495035 888831116 /nfs/dbraw/zinc/83/11/16/888831116.db2.gz DPAHEDXBGBXUAB-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)c1nccnc1N)C(N)=O ZINC001394470208 888831157 /nfs/dbraw/zinc/83/11/57/888831157.db2.gz RBPRGFJJPHYEGJ-JGVFFNPUSA-N 0 3 280.332 -1.017 20 0 CAADHN CC[C@H](N[C@H](C)CN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001394507692 888831342 /nfs/dbraw/zinc/83/13/42/888831342.db2.gz RBGMVROAAFBVKT-SFYZADRCSA-N 0 3 283.336 -1.476 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](C)N[C@@H]2CCNC2=O)[nH]1 ZINC001394483883 888831449 /nfs/dbraw/zinc/83/14/49/888831449.db2.gz RDGCJCKWBJIMTB-PSASIEDQSA-N 0 3 294.359 -1.019 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)CNC(=O)NC ZINC001394495017 888831668 /nfs/dbraw/zinc/83/16/68/888831668.db2.gz DIJBLVPWGHZBGZ-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001394495540 888831716 /nfs/dbraw/zinc/83/17/16/888831716.db2.gz DPAHEDXBGBXUAB-ZJUUUORDSA-N 0 3 284.360 -1.353 20 0 CAADHN CN(C(=O)[C@@H]1CN(C)CCO1)[C@@H](CNCC(N)=O)C1CC1 ZINC001394429284 888832122 /nfs/dbraw/zinc/83/21/22/888832122.db2.gz QPRSOKJIXZMSBM-RYUDHWBXSA-N 0 3 298.387 -1.371 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001394482587 888832240 /nfs/dbraw/zinc/83/22/40/888832240.db2.gz GRYVWMZKVMWVJV-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCCNC1=O)N[C@@H](C)C(N)=O ZINC001394516713 888833151 /nfs/dbraw/zinc/83/31/51/888833151.db2.gz ZHDALIJZGUAHOT-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001394552507 888833205 /nfs/dbraw/zinc/83/32/05/888833205.db2.gz IKFJTZOYJCEWBU-RKDXNWHRSA-N 0 3 287.364 -1.255 20 0 CAADHN O=C(NC[C@H](CO)NC[C@H](O)CN1CCCC1=O)C1CC1 ZINC001394565295 888833494 /nfs/dbraw/zinc/83/34/94/888833494.db2.gz PAVJKRHZHAPEQO-NEPJUHHUSA-N 0 3 299.371 -1.554 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)NCC(N)=O ZINC001394548506 888834620 /nfs/dbraw/zinc/83/46/20/888834620.db2.gz WUCZTDGLDKCHBL-ZETCQYMHSA-N 0 3 281.316 -1.351 20 0 CAADHN CC(C)c1nnnn1CC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001394547813 888834691 /nfs/dbraw/zinc/83/46/91/888834691.db2.gz OQCHWSZJSJXTCF-SECBINFHSA-N 0 3 297.363 -1.282 20 0 CAADHN C[C@H](CN(C)C(=O)CNS(=O)(=O)N(C)C)NCCF ZINC001394533117 888835979 /nfs/dbraw/zinc/83/59/79/888835979.db2.gz QPDHMDFMRVJXIY-SECBINFHSA-N 0 3 298.384 -1.212 20 0 CAADHN CC(=O)NC[C@@H](CO)NCC1(CS(C)(=O)=O)CC1 ZINC001394567318 888836111 /nfs/dbraw/zinc/83/61/11/888836111.db2.gz YRDPXVCKNGPSMX-JTQLQIEISA-N 0 3 278.374 -1.102 20 0 CAADHN C[C@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)NCC(N)=O ZINC001394563699 888836864 /nfs/dbraw/zinc/83/68/64/888836864.db2.gz SOIAJQCWGHPOCN-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN Cn1cc(C(=O)NC[C@H](CO)NCCn2cncn2)cn1 ZINC001394572948 888838219 /nfs/dbraw/zinc/83/82/19/888838219.db2.gz HHDFJVBOYFBWSB-LLVKDONJSA-N 0 3 293.331 -1.608 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)c1cn[nH]c1 ZINC001394571660 888838947 /nfs/dbraw/zinc/83/89/47/888838947.db2.gz JHAPWJJJAHXNLO-SNVBAGLBSA-N 0 3 296.331 -1.885 20 0 CAADHN O=C(CCc1nnc[nH]1)NC[C@@H](CO)N[C@@H]1CCNC1=O ZINC001394578135 888843126 /nfs/dbraw/zinc/84/31/26/888843126.db2.gz JXLMFNKYISWJQI-DTWKUNHWSA-N 0 3 296.331 -2.308 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](CO)NCc1ccn(C)c(=O)c1 ZINC001394577972 888844157 /nfs/dbraw/zinc/84/41/57/888844157.db2.gz QTJARIZXTOWLKV-JQWIXIFHSA-N 0 3 297.355 -1.013 20 0 CAADHN O=C(CCc1nnc[nH]1)NC[C@H](CO)N[C@@H]1CCNC1=O ZINC001394578236 888845014 /nfs/dbraw/zinc/84/50/14/888845014.db2.gz JXLMFNKYISWJQI-RKDXNWHRSA-N 0 3 296.331 -2.308 20 0 CAADHN O=C(C[C@@H]1CCCO1)NC[C@@H](CO)NCCn1cncn1 ZINC001394577765 888845679 /nfs/dbraw/zinc/84/56/79/888845679.db2.gz ZVURDGOSRGANFV-RYUDHWBXSA-N 0 3 297.359 -1.086 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001394590508 888850667 /nfs/dbraw/zinc/85/06/67/888850667.db2.gz BTCPVOFOAXRHDR-IVZWLZJFSA-N 0 3 295.343 -1.674 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@@H](CO)NCc2cnon2)C1 ZINC001394632834 888863841 /nfs/dbraw/zinc/86/38/41/888863841.db2.gz IPOHYRFOCZNBPR-JQWIXIFHSA-N 0 3 297.359 -1.022 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1csnn1 ZINC001394621648 888865779 /nfs/dbraw/zinc/86/57/79/888865779.db2.gz YFJFHKBEHHMEOC-MRVPVSSYSA-N 0 3 297.344 -1.490 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@H](CO)NCc2cnon2)C1 ZINC001394632833 888865878 /nfs/dbraw/zinc/86/58/78/888865878.db2.gz IPOHYRFOCZNBPR-CMPLNLGQSA-N 0 3 297.359 -1.022 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001394639390 888869207 /nfs/dbraw/zinc/86/92/07/888869207.db2.gz YUHHKYFMIHCBHM-BBBLOLIVSA-N 0 3 296.331 -2.534 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001394639379 888870690 /nfs/dbraw/zinc/87/06/90/888870690.db2.gz YUHHKYFMIHCBHM-AEJSXWLSSA-N 0 3 296.331 -2.534 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1cccnn1 ZINC001394653188 888872593 /nfs/dbraw/zinc/87/25/93/888872593.db2.gz RQDDSMSKNYLEDY-SNVBAGLBSA-N 0 3 291.315 -1.551 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1cccnn1 ZINC001394653187 888873293 /nfs/dbraw/zinc/87/32/93/888873293.db2.gz RQDDSMSKNYLEDY-JTQLQIEISA-N 0 3 291.315 -1.551 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001394693161 888877111 /nfs/dbraw/zinc/87/71/11/888877111.db2.gz RQBVCHPAGQMHBL-SFYZADRCSA-N 0 3 281.320 -1.851 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)Cn2cnnn2)C1 ZINC001394672169 888877183 /nfs/dbraw/zinc/87/71/83/888877183.db2.gz JIUWSXWVLYHLFG-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001394682626 888877271 /nfs/dbraw/zinc/87/72/71/888877271.db2.gz ZZPAWKPEOMGUTO-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C ZINC001394664821 888877634 /nfs/dbraw/zinc/87/76/34/888877634.db2.gz CGBWMHIAYACPQH-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCn2ccnn2)C1 ZINC001394689155 888877861 /nfs/dbraw/zinc/87/78/61/888877861.db2.gz WASSLCSRYXOJOT-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)Cn1cncn1 ZINC001394666186 888878281 /nfs/dbraw/zinc/87/82/81/888878281.db2.gz FSXHNMDTVMJKEC-MNOVXSKESA-N 0 3 294.359 -1.055 20 0 CAADHN CCS(=O)(=O)CC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001394678725 888878400 /nfs/dbraw/zinc/87/84/00/888878400.db2.gz JQBPSOKPMMLAMD-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)Cn1ncnn1 ZINC001394662988 888878904 /nfs/dbraw/zinc/87/89/04/888878904.db2.gz KHROFNOTUKVEGT-NXEZZACHSA-N 0 3 295.347 -1.660 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C ZINC001394684187 888878945 /nfs/dbraw/zinc/87/89/45/888878945.db2.gz YRCVLLTZGDNILS-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCn2ccnn2)C1 ZINC001394689157 888879051 /nfs/dbraw/zinc/87/90/51/888879051.db2.gz WASSLCSRYXOJOT-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCn2ccnn2)C1 ZINC001394689154 888879135 /nfs/dbraw/zinc/87/91/35/888879135.db2.gz WASSLCSRYXOJOT-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)NC(N)=O)CC1(C)C ZINC001394712551 888879944 /nfs/dbraw/zinc/87/99/44/888879944.db2.gz FOIRGHJMJSYHDR-DTWKUNHWSA-N 0 3 299.375 -1.384 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C ZINC001394664045 888880189 /nfs/dbraw/zinc/88/01/89/888880189.db2.gz ODIUPRYXYXPEIE-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)Cn1ncnn1 ZINC001394689916 888880737 /nfs/dbraw/zinc/88/07/37/888880737.db2.gz WVRMZRHJGSARTN-NXEZZACHSA-N 0 3 295.347 -1.660 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)COC(C)C ZINC001394728272 888881581 /nfs/dbraw/zinc/88/15/81/888881581.db2.gz DXMDZROMKXOGND-MNOVXSKESA-N 0 3 289.376 -1.045 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)Cn1cccn1 ZINC001394730531 888881636 /nfs/dbraw/zinc/88/16/36/888881636.db2.gz WSDVUNLDUYIJHG-WDEREUQCSA-N 0 3 295.343 -1.820 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cn[nH]c1)C(N)=O ZINC001394724840 888881841 /nfs/dbraw/zinc/88/18/41/888881841.db2.gz CPKMIBYEJPQBJJ-VHSXEESVSA-N 0 3 283.332 -1.304 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001394727506 888881894 /nfs/dbraw/zinc/88/18/94/888881894.db2.gz TZNCDFCGPNDYHU-SSDOTTSWSA-N 0 3 276.293 -2.763 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C(C)(F)F ZINC001394723709 888882275 /nfs/dbraw/zinc/88/22/75/888882275.db2.gz NILFPCMRLMKBLA-HTQZYQBOSA-N 0 3 279.287 -1.061 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C[C@@H](C)OC ZINC001394728089 888882514 /nfs/dbraw/zinc/88/25/14/888882514.db2.gz DGXPGLDWYOBNLB-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001394731007 888883139 /nfs/dbraw/zinc/88/31/39/888883139.db2.gz ALKJTEFQEXBEQL-RKDXNWHRSA-N 0 3 299.335 -2.654 20 0 CAADHN Cc1nnsc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001394720960 888883319 /nfs/dbraw/zinc/88/33/19/888883319.db2.gz PCFADDMQHZTPOK-SSDOTTSWSA-N 0 3 287.345 -1.646 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001394726093 888883475 /nfs/dbraw/zinc/88/34/75/888883475.db2.gz FJKDLNXJCRQVBW-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001394724304 888884135 /nfs/dbraw/zinc/88/41/35/888884135.db2.gz JVPWPNSYKBWRCP-VIFPVBQESA-N 0 3 271.321 -1.332 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNCc1n[nH]c(C)n1 ZINC001394724303 888884687 /nfs/dbraw/zinc/88/46/87/888884687.db2.gz JVPWPNSYKBWRCP-SECBINFHSA-N 0 3 271.321 -1.332 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCCNC1=O)C(=O)c1cocn1 ZINC001394727799 888884860 /nfs/dbraw/zinc/88/48/60/888884860.db2.gz CHKYIGBIJIQXLJ-ZJUUUORDSA-N 0 3 296.327 -1.024 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cc[nH]n1 ZINC001394730475 888884928 /nfs/dbraw/zinc/88/49/28/888884928.db2.gz WESNCLMJOSMRDN-BDAKNGLRSA-N 0 3 281.316 -1.679 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001394726162 888885065 /nfs/dbraw/zinc/88/50/65/888885065.db2.gz GEIJAEJDVZSPGP-SNVBAGLBSA-N 0 3 288.348 -2.333 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cn[nH]c1 ZINC001394725636 888885130 /nfs/dbraw/zinc/88/51/30/888885130.db2.gz GCZNMKUTTSXTNA-VHSXEESVSA-N 0 3 281.316 -1.679 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)COC(C)C ZINC001394728269 888885169 /nfs/dbraw/zinc/88/51/69/888885169.db2.gz DXMDZROMKXOGND-GHMZBOCLSA-N 0 3 289.376 -1.045 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)on1 ZINC001394721710 888885386 /nfs/dbraw/zinc/88/53/86/888885386.db2.gz QBGYJWQJWSXUSA-MRVPVSSYSA-N 0 3 270.289 -1.509 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCCNC1=O)C(=O)c1cn[nH]c1 ZINC001394727148 888885404 /nfs/dbraw/zinc/88/54/04/888885404.db2.gz LOKCNARYULMNCN-QWRGUYRKSA-N 0 3 295.343 -1.289 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cn[nH]c1)C(N)=O ZINC001394724839 888885426 /nfs/dbraw/zinc/88/54/26/888885426.db2.gz CPKMIBYEJPQBJJ-UWVGGRQHSA-N 0 3 283.332 -1.304 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001394720380 888885499 /nfs/dbraw/zinc/88/54/99/888885499.db2.gz NMUCFVWYOLROPF-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1ncc[nH]1)C(N)=O ZINC001394734482 888886101 /nfs/dbraw/zinc/88/61/01/888886101.db2.gz OMDCHICOUWOYFJ-DTWKUNHWSA-N 0 3 283.332 -1.304 20 0 CAADHN CCc1ocnc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001394740394 888886385 /nfs/dbraw/zinc/88/63/85/888886385.db2.gz YPRQVENPJAFYNO-QMMMGPOBSA-N 0 3 284.316 -1.255 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cnco1 ZINC001394748295 888886751 /nfs/dbraw/zinc/88/67/51/888886751.db2.gz VCVOKZJLBDLKCF-IUCAKERBSA-N 0 3 284.316 -1.168 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)c1cnco1 ZINC001394745144 888886927 /nfs/dbraw/zinc/88/69/27/888886927.db2.gz MMVXJLVEZXCGDP-SNVBAGLBSA-N 0 3 296.327 -1.071 20 0 CAADHN CCn1ccc(CC(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001394744226 888887572 /nfs/dbraw/zinc/88/75/72/888887572.db2.gz SXDWYGAPSTZIQB-LLVKDONJSA-N 0 3 297.359 -1.660 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnc(C)n1C ZINC001394744640 888887786 /nfs/dbraw/zinc/88/77/86/888887786.db2.gz AXEBWEATQPGFDF-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN CCc1n[nH]cc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001394737806 888888064 /nfs/dbraw/zinc/88/80/64/888888064.db2.gz AQSKAGTYZXFFNR-RKDXNWHRSA-N 0 3 297.359 -1.132 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](O)CN[C@@H]2CCNC2=O)c[nH]1 ZINC001394734292 888888476 /nfs/dbraw/zinc/88/84/76/888888476.db2.gz XGIMDQFZAJGXFQ-NXEZZACHSA-N 0 3 295.343 -1.371 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cnco1 ZINC001394748291 888888511 /nfs/dbraw/zinc/88/85/11/888888511.db2.gz VCVOKZJLBDLKCF-BDAKNGLRSA-N 0 3 284.316 -1.168 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnc(C)n1C ZINC001394744648 888888622 /nfs/dbraw/zinc/88/86/22/888888622.db2.gz AXEBWEATQPGFDF-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cc1cc[nH]n1)C(N)=O ZINC001394733061 888888691 /nfs/dbraw/zinc/88/86/91/888888691.db2.gz GAMCVFAHFJOPAA-WPRPVWTQSA-N 0 3 283.332 -1.765 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001394731211 888888807 /nfs/dbraw/zinc/88/88/07/888888807.db2.gz WVCZOBZXDRSCAM-SECBINFHSA-N 0 3 281.316 -1.755 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cc1cncs1 ZINC001394744101 888888942 /nfs/dbraw/zinc/88/89/42/888888942.db2.gz MVRCCHBLJFJYRR-MRVPVSSYSA-N 0 3 286.357 -1.420 20 0 CAADHN CO[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)C1CC1 ZINC001394731991 888889058 /nfs/dbraw/zinc/88/90/58/888889058.db2.gz BEEGLPYPPUGACJ-MWLCHTKSSA-N 0 3 273.333 -1.694 20 0 CAADHN CCc1ocnc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001394740390 888889334 /nfs/dbraw/zinc/88/93/34/888889334.db2.gz YPRQVENPJAFYNO-MRVPVSSYSA-N 0 3 284.316 -1.255 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CC(C)(C)O ZINC001394736409 888889352 /nfs/dbraw/zinc/88/93/52/888889352.db2.gz QRSVMSDGCRPRAT-SECBINFHSA-N 0 3 275.349 -1.698 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CCCOC1 ZINC001394734807 888889629 /nfs/dbraw/zinc/88/96/29/888889629.db2.gz ZGIOZPZMUMXLEM-NXEZZACHSA-N 0 3 273.333 -1.693 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001394756552 888891218 /nfs/dbraw/zinc/89/12/18/888891218.db2.gz LLOBIUMFDNAXHZ-QMMMGPOBSA-N 0 3 284.320 -2.416 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cnon1)C(N)=O ZINC001394756693 888891542 /nfs/dbraw/zinc/89/15/42/888891542.db2.gz VGLMGLNXXUSESK-RQJHMYQMSA-N 0 3 271.277 -2.034 20 0 CAADHN CC[C@H](F)C(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001394754997 888892537 /nfs/dbraw/zinc/89/25/37/888892537.db2.gz UWAGZYVCJDOCQL-YUMQZZPRSA-N 0 3 292.311 -1.662 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1nc(C)c[nH]1 ZINC001394752234 888892786 /nfs/dbraw/zinc/89/27/86/888892786.db2.gz BVOJLVNRJVWULC-NXEZZACHSA-N 0 3 297.359 -1.125 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1ccn(C)n1)C(N)=O ZINC001394755676 888892828 /nfs/dbraw/zinc/89/28/28/888892828.db2.gz RCKVNGCDWKVQBR-UWVGGRQHSA-N 0 3 297.359 -1.294 20 0 CAADHN CC[C@H](F)C(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001394754995 888892911 /nfs/dbraw/zinc/89/29/11/888892911.db2.gz UWAGZYVCJDOCQL-SFYZADRCSA-N 0 3 292.311 -1.662 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)c(C)o1 ZINC001394754266 888893358 /nfs/dbraw/zinc/89/33/58/888893358.db2.gz PVVALRIAVYIYLY-VIFPVBQESA-N 0 3 284.316 -1.201 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnon1)C(N)=O ZINC001394756691 888893503 /nfs/dbraw/zinc/89/35/03/888893503.db2.gz VGLMGLNXXUSESK-RNFRBKRXSA-N 0 3 271.277 -2.034 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1ccn(C)n1)C(N)=O ZINC001394755678 888893799 /nfs/dbraw/zinc/89/37/99/888893799.db2.gz RCKVNGCDWKVQBR-ZJUUUORDSA-N 0 3 297.359 -1.294 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)Cn1cncn1)C(N)=O ZINC001394763422 888893830 /nfs/dbraw/zinc/89/38/30/888893830.db2.gz IWRPOFNDBGQDEF-UWVGGRQHSA-N 0 3 298.347 -2.049 20 0 CAADHN Cc1cnoc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001394757243 888894632 /nfs/dbraw/zinc/89/46/32/888894632.db2.gz MJBIGASJICPFJO-DTWKUNHWSA-N 0 3 284.316 -1.121 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001394774090 888896538 /nfs/dbraw/zinc/89/65/38/888896538.db2.gz DGGOLDFKWWTYFH-IUCAKERBSA-N 0 3 276.337 -2.213 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cc2n(n1)CCO2 ZINC001394781102 888897716 /nfs/dbraw/zinc/89/77/16/888897716.db2.gz YXMZFVMRPNZWGS-JTQLQIEISA-N 0 3 298.343 -1.368 20 0 CAADHN Cn1nnc(C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)n1 ZINC001394827391 888899349 /nfs/dbraw/zinc/89/93/49/888899349.db2.gz ZRBXXOULIMCBNK-SSDOTTSWSA-N 0 3 283.336 -1.571 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)Cn1cnnn1)C(C)(C)C)C(N)=O ZINC001394813891 888899522 /nfs/dbraw/zinc/89/95/22/888899522.db2.gz LVZJJELUPUGALB-BDAKNGLRSA-N 0 3 297.363 -1.333 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)Cn1cnnn1)C(C)(C)C)C(N)=O ZINC001394813894 888901278 /nfs/dbraw/zinc/90/12/78/888901278.db2.gz LVZJJELUPUGALB-DTWKUNHWSA-N 0 3 297.363 -1.333 20 0 CAADHN CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c1cn[nH]c1)N(C)C ZINC001395692339 888918733 /nfs/dbraw/zinc/91/87/33/888918733.db2.gz BFUJEMIYNLBMTJ-QWRGUYRKSA-N 0 3 297.359 -1.043 20 0 CAADHN CO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)CN(C)C(C)C ZINC001395740189 888924594 /nfs/dbraw/zinc/92/45/94/888924594.db2.gz DKVHPHPQLMZUIV-QWRGUYRKSA-N 0 3 289.376 -1.045 20 0 CAADHN CO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001395777484 888932230 /nfs/dbraw/zinc/93/22/30/888932230.db2.gz LMKBKMXMKFMXCA-NXEZZACHSA-N 0 3 298.343 -1.111 20 0 CAADHN CC[C@H](C(=O)N[C@H](CO)CNC(=O)c1cnon1)N(C)C ZINC001395799496 888934890 /nfs/dbraw/zinc/93/48/90/888934890.db2.gz YVNFIPQDZYSBHZ-WCBMZHEXSA-N 0 3 299.331 -1.383 20 0 CAADHN CS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](NCC(N)=O)C1 ZINC001397038968 888957381 /nfs/dbraw/zinc/95/73/81/888957381.db2.gz ZTTSVHHBDOQSPD-OCAPTIKFSA-N 0 3 277.346 -1.999 20 0 CAADHN C[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)CNC(N)=O ZINC001397461706 888966733 /nfs/dbraw/zinc/96/67/33/888966733.db2.gz RXWPFURPXIILOX-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001399136747 889032534 /nfs/dbraw/zinc/03/25/34/889032534.db2.gz WIHWVGBLJYMGTC-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN CC[C@H](C(=O)NC[C@H](C)NC(=O)Cn1cnnn1)N(C)C ZINC001397491026 888970291 /nfs/dbraw/zinc/97/02/91/888970291.db2.gz YFGDAHQNBMMJIY-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001397609596 888973380 /nfs/dbraw/zinc/97/33/80/888973380.db2.gz ZWAKVROUYTVBNX-XHNCKOQMSA-N 0 3 280.332 -1.295 20 0 CAADHN CS(=O)(=O)CC(=O)NC[C@H]1C[C@H](NCC(N)=O)C1 ZINC001397640731 888973849 /nfs/dbraw/zinc/97/38/49/888973849.db2.gz ZTTSVHHBDOQSPD-ZKCHVHJHSA-N 0 3 277.346 -1.999 20 0 CAADHN CCO[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+]CC(N)=O ZINC001397727644 888976413 /nfs/dbraw/zinc/97/64/13/888976413.db2.gz CUWZJDNKFJUPCU-RKDXNWHRSA-N 0 3 296.331 -1.643 20 0 CAADHN CCN(CC)CC(=O)NCCN(C)C(=O)Cn1ncnn1 ZINC001397918473 888983214 /nfs/dbraw/zinc/98/32/14/888983214.db2.gz FQXNXDIJCLOZGY-UHFFFAOYSA-N 0 3 297.363 -1.411 20 0 CAADHN CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)CN1CCCC1 ZINC001398015753 888987015 /nfs/dbraw/zinc/98/70/15/888987015.db2.gz TZHKGGYPWVMOLQ-JTQLQIEISA-N 0 3 297.359 -1.662 20 0 CAADHN O=C(Cn1ccnc1)NCCN1CCN(CCCO)CC1 ZINC001398265089 888990944 /nfs/dbraw/zinc/99/09/44/888990944.db2.gz ACDFJDNRRZASBL-UHFFFAOYSA-N 0 3 295.387 -1.001 20 0 CAADHN O=C(CCc1cn[nH]n1)NCCN1CCN(CCO)CC1 ZINC001398271608 888991400 /nfs/dbraw/zinc/99/14/00/888991400.db2.gz IZHJROIQQXNTQT-UHFFFAOYSA-N 0 3 296.375 -1.537 20 0 CAADHN O=C(CCc1c[nH]nn1)NCCN1CCN(CCO)CC1 ZINC001398271608 888991409 /nfs/dbraw/zinc/99/14/09/888991409.db2.gz IZHJROIQQXNTQT-UHFFFAOYSA-N 0 3 296.375 -1.537 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](NCC(N)=O)C2CC2)cc1=O ZINC001398406197 888992567 /nfs/dbraw/zinc/99/25/67/888992567.db2.gz USWBWASTGSZYNV-SNVBAGLBSA-N 0 3 293.327 -1.636 20 0 CAADHN COCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001398490796 888992612 /nfs/dbraw/zinc/99/26/12/888992612.db2.gz PJQSFZNKPJEUTN-SFYZADRCSA-N 0 3 272.305 -1.593 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001398488768 888993121 /nfs/dbraw/zinc/99/31/21/888993121.db2.gz VPQJGUIEPJORPJ-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)CN1CCCC1=O)C1CC1)C(N)=O ZINC001398382608 888992823 /nfs/dbraw/zinc/99/28/23/888992823.db2.gz ADSGLMHGSRERGI-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](N[C@H](C)C(N)=O)C1CC1 ZINC001398376174 888992960 /nfs/dbraw/zinc/99/29/60/888992960.db2.gz QJZMQSHLIGBHHG-GMSGAONNSA-N 0 3 270.333 -1.519 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1nnn(C)n1)C1CC1 ZINC001398439350 888993287 /nfs/dbraw/zinc/99/32/87/888993287.db2.gz RYOHOECAFAUKJW-QMMMGPOBSA-N 0 3 281.320 -1.946 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CCNC(=O)NC)C1CC1 ZINC001398392478 888993616 /nfs/dbraw/zinc/99/36/16/888993616.db2.gz JQEMDAFUGRXAGW-SNVBAGLBSA-N 0 3 299.375 -1.464 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C1CC1 ZINC001398430900 888993940 /nfs/dbraw/zinc/99/39/40/888993940.db2.gz BXWXVNLDQSESAB-HZMBPMFUSA-N 0 3 296.371 -1.115 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](N[C@H](C)C(N)=O)C2CC2)C1 ZINC001398414084 888993997 /nfs/dbraw/zinc/99/39/97/888993997.db2.gz UJVZGDGZWBVCKZ-PRHODGIISA-N 0 3 296.371 -1.177 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001398416371 888994092 /nfs/dbraw/zinc/99/40/92/888994092.db2.gz UYNCPXLKDMUVOD-VHSXEESVSA-N 0 3 298.343 -1.333 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)CN1CCCC1=O)C1CC1)C(N)=O ZINC001398382602 888994521 /nfs/dbraw/zinc/99/45/21/888994521.db2.gz ADSGLMHGSRERGI-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001398328673 888994685 /nfs/dbraw/zinc/99/46/85/888994685.db2.gz JFEHLAZPRMXOEO-WDMOLILDSA-N 0 3 299.371 -1.147 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001398404910 888994986 /nfs/dbraw/zinc/99/49/86/888994986.db2.gz OGFPNURSYUCVOR-WCBMZHEXSA-N 0 3 299.375 -1.336 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CCNC(=O)NC)C1CC1 ZINC001398392440 888994865 /nfs/dbraw/zinc/99/48/65/888994865.db2.gz JQEMDAFUGRXAGW-JTQLQIEISA-N 0 3 299.375 -1.464 20 0 CAADHN C[C@H](N[C@H](CNC(=O)CN1CCCC1=O)C1CC1)C(N)=O ZINC001398382585 888995166 /nfs/dbraw/zinc/99/51/66/888995166.db2.gz ADSGLMHGSRERGI-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001398437924 888995321 /nfs/dbraw/zinc/99/53/21/888995321.db2.gz LVEWSSAJQNRAQE-JTQLQIEISA-N 0 3 297.359 -2.612 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1cnn(C)c1N)C1CC1 ZINC001398396786 888995433 /nfs/dbraw/zinc/99/54/33/888995433.db2.gz ZKJMTLUSHUFLLJ-SNVBAGLBSA-N 0 3 294.359 -1.154 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001398482603 888995531 /nfs/dbraw/zinc/99/55/31/888995531.db2.gz LYILOUZVCGVCRR-SFYZADRCSA-N 0 3 272.305 -1.593 20 0 CAADHN Cn1cnnc1COCC(=O)N[C@H]1CCN(CCCO)C1 ZINC001398320330 888995742 /nfs/dbraw/zinc/99/57/42/888995742.db2.gz BLKSGGANPAORFU-NSHDSACASA-N 0 3 297.359 -1.095 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001398519567 888997184 /nfs/dbraw/zinc/99/71/84/888997184.db2.gz NYGPTHFUYLOPOF-IUCAKERBSA-N 0 3 283.332 -2.054 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001398493342 888997340 /nfs/dbraw/zinc/99/73/40/888997340.db2.gz VCCMBXAHBUKQJM-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001398508931 888997500 /nfs/dbraw/zinc/99/75/00/888997500.db2.gz JULHXPKXCBAZSV-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001398519565 888998052 /nfs/dbraw/zinc/99/80/52/888998052.db2.gz NYGPTHFUYLOPOF-DTWKUNHWSA-N 0 3 283.332 -2.054 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC001398530687 888998081 /nfs/dbraw/zinc/99/80/81/888998081.db2.gz GOGRQPJHNBTASI-MGCOHNPYSA-N 0 3 292.339 -1.018 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001398509475 888998305 /nfs/dbraw/zinc/99/83/05/888998305.db2.gz OLKPZIHGGCXWQO-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001398508921 888998783 /nfs/dbraw/zinc/99/87/83/888998783.db2.gz JULHXPKXCBAZSV-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001398535569 888998832 /nfs/dbraw/zinc/99/88/32/888998832.db2.gz SZWPZPUWXQMJSA-CIUDSAMLSA-N 0 3 295.347 -1.391 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001398536213 888999192 /nfs/dbraw/zinc/99/91/92/888999192.db2.gz VHPODYVUIDJZCE-VIFPVBQESA-N 0 3 295.343 -1.726 20 0 CAADHN COCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001398505020 888999463 /nfs/dbraw/zinc/99/94/63/888999463.db2.gz QYPXDQIGWOMCEB-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001398522335 888999366 /nfs/dbraw/zinc/99/93/66/888999366.db2.gz PWWXXJRZIBGENF-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN COC[C@H](C)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001398516276 888999393 /nfs/dbraw/zinc/99/93/93/888999393.db2.gz WNJASVVOTJOAIJ-IUCAKERBSA-N 0 3 286.332 -1.346 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)Cn2nccn2)C1)N(C)C ZINC001398654176 889010990 /nfs/dbraw/zinc/01/09/90/889010990.db2.gz STJGHKCTNOZNJW-LLVKDONJSA-N 0 3 294.359 -1.055 20 0 CAADHN CNC(=O)NCC(=O)N1CCCC[C@@H]1CN[C@H](C)C(N)=O ZINC001398766863 889014997 /nfs/dbraw/zinc/01/49/97/889014997.db2.gz NSTIYDNWWLSOBM-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN COCC(=O)N1CCCC[C@H]1CNCC(=O)NC(N)=O ZINC001398767767 889015699 /nfs/dbraw/zinc/01/56/99/889015699.db2.gz OUACYXYUXBUJNQ-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@H]1CCCNC1=O ZINC001398855890 889017433 /nfs/dbraw/zinc/01/74/33/889017433.db2.gz OXVCLCSDCXSKHF-BDAKNGLRSA-N 0 3 281.320 -1.954 20 0 CAADHN CCOCC(=O)NC[C@@H](C)NCC(=O)NC(=O)NC ZINC001398862638 889017914 /nfs/dbraw/zinc/01/79/14/889017914.db2.gz SVHVDKRXTXMPDQ-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN C[C@H](CNC(=O)C1=COCCC1)NCC(=O)NC(N)=O ZINC001398876427 889018083 /nfs/dbraw/zinc/01/80/83/889018083.db2.gz NESSHSGVQQAULH-MRVPVSSYSA-N 0 3 284.316 -1.030 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCCNC1=O ZINC001398855891 889018216 /nfs/dbraw/zinc/01/82/16/889018216.db2.gz OXVCLCSDCXSKHF-DTWKUNHWSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)N(C)C1CC1 ZINC001398852475 889018479 /nfs/dbraw/zinc/01/84/79/889018479.db2.gz KBKLIBFODQCFAX-VIFPVBQESA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)NCC(=O)N(C)C ZINC001398900636 889018598 /nfs/dbraw/zinc/01/85/98/889018598.db2.gz ZHLDFXYEXOKXPW-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CCOCC(=O)NC[C@H](C)NCC(=O)NC(=O)NC ZINC001398862646 889018896 /nfs/dbraw/zinc/01/88/96/889018896.db2.gz SVHVDKRXTXMPDQ-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1N)N[C@@H]1CCNC1=O ZINC001398898588 889018952 /nfs/dbraw/zinc/01/89/52/889018952.db2.gz AEWMCZCKOYANLG-VXNVDRBHSA-N 0 3 280.332 -1.401 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1N)N[C@H]1CCNC1=O ZINC001398898562 889018977 /nfs/dbraw/zinc/01/89/77/889018977.db2.gz AEWMCZCKOYANLG-APPZFPTMSA-N 0 3 280.332 -1.401 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)Cc1ccon1 ZINC001398875539 889019303 /nfs/dbraw/zinc/01/93/03/889019303.db2.gz IKQOTVTXYGCQOI-QMMMGPOBSA-N 0 3 297.315 -1.233 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1nccnc1N ZINC001398866339 889019406 /nfs/dbraw/zinc/01/94/06/889019406.db2.gz DGNRGLLNQLFXAD-JGVFFNPUSA-N 0 3 280.332 -1.099 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1nccnc1N ZINC001398866332 889019537 /nfs/dbraw/zinc/01/95/37/889019537.db2.gz DGNRGLLNQLFXAD-HTQZYQBOSA-N 0 3 280.332 -1.099 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)Cc1ccon1 ZINC001398875527 889020198 /nfs/dbraw/zinc/02/01/98/889020198.db2.gz IKQOTVTXYGCQOI-MRVPVSSYSA-N 0 3 297.315 -1.233 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COCCO1)NCC(=O)NC(N)=O ZINC001398878297 889020544 /nfs/dbraw/zinc/02/05/44/889020544.db2.gz HXDHGMVCPYFCAE-HTQZYQBOSA-N 0 3 288.304 -2.309 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CCS(C)(=O)=O)C(N)=O ZINC001398957873 889021448 /nfs/dbraw/zinc/02/14/48/889021448.db2.gz OLZYTFLGHGKSLJ-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN CO[C@H](C(=O)NC[C@H](C)NCC(=O)NC(N)=O)C1CC1 ZINC001398935286 889021606 /nfs/dbraw/zinc/02/16/06/889021606.db2.gz ZXDRADZVCHIHDX-XVKPBYJWSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1N)N[C@H]1CCN(C)C1=O ZINC001398903271 889021931 /nfs/dbraw/zinc/02/19/31/889021931.db2.gz INEGIGRYWPUPRL-SCZZXKLOSA-N 0 3 294.359 -1.059 20 0 CAADHN CO[C@@H](C(=O)NC[C@H](C)NCC(=O)NC(N)=O)C1CC1 ZINC001398935268 889022079 /nfs/dbraw/zinc/02/20/79/889022079.db2.gz ZXDRADZVCHIHDX-OIBJUYFYSA-N 0 3 286.332 -1.299 20 0 CAADHN Cc1nnc(CC(=O)NC[C@H](C)N[C@@H]2CCNC2=O)o1 ZINC001398926958 889022163 /nfs/dbraw/zinc/02/21/63/889022163.db2.gz XJCXIXZRURETEP-IONNQARKSA-N 0 3 281.316 -1.097 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)N[C@H]1CCNC1=O ZINC001398999585 889022327 /nfs/dbraw/zinc/02/23/27/889022327.db2.gz KEYCGXPOIVJCBY-KOLCDFICSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)NCC(=O)N(C)C1CC1 ZINC001398936380 889022760 /nfs/dbraw/zinc/02/27/60/889022760.db2.gz ORCNCCKTVYOGLG-SECBINFHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CCCC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001398922118 889022797 /nfs/dbraw/zinc/02/27/97/889022797.db2.gz WGRULVVSVKFRFS-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CCS(C)(=O)=O)C(N)=O ZINC001398957886 889022819 /nfs/dbraw/zinc/02/28/19/889022819.db2.gz OLZYTFLGHGKSLJ-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN CNS(=O)(=O)CCC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001398949096 889022993 /nfs/dbraw/zinc/02/29/93/889022993.db2.gz ZDYJPUCRTKHWRY-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1N)N[C@@H]1CCN(C)C1=O ZINC001398903267 889023121 /nfs/dbraw/zinc/02/31/21/889023121.db2.gz INEGIGRYWPUPRL-PSASIEDQSA-N 0 3 294.359 -1.059 20 0 CAADHN C[C@@H](CNC(=O)c1cnn2c1OCCC2)NCC(N)=O ZINC001398938002 889023506 /nfs/dbraw/zinc/02/35/06/889023506.db2.gz VZFFQROCTXUMMA-QMMMGPOBSA-N 0 3 281.316 -1.141 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1N)N[C@H]1CCN(C)C1=O ZINC001398903277 889023841 /nfs/dbraw/zinc/02/38/41/889023841.db2.gz INEGIGRYWPUPRL-WPRPVWTQSA-N 0 3 294.359 -1.059 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)NCC(N)=O ZINC001398953933 889023861 /nfs/dbraw/zinc/02/38/61/889023861.db2.gz GRSOJOLRKNDWQS-ZETCQYMHSA-N 0 3 270.293 -2.839 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)NCC(=O)NC1CC1 ZINC001398911792 889024025 /nfs/dbraw/zinc/02/40/25/889024025.db2.gz BPBLMIPGGKANIY-MRVPVSSYSA-N 0 3 281.320 -1.954 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)C[C@H](C)NC(N)=O ZINC001398934439 889024407 /nfs/dbraw/zinc/02/44/07/889024407.db2.gz MKVPBLQRUSADPJ-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)N(C)C1CC1 ZINC001398918625 889024736 /nfs/dbraw/zinc/02/47/36/889024736.db2.gz YAONXNOXUOVXHJ-IUCAKERBSA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N[C@H]1CCNC1=O ZINC001398972183 889025077 /nfs/dbraw/zinc/02/50/77/889025077.db2.gz YKGOALLWOXIGDX-ONGXEEELSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)N[C@@H]1CCNC1=O ZINC001399020406 889025957 /nfs/dbraw/zinc/02/59/57/889025957.db2.gz KIEUFHYBLLOJFX-HTQZYQBOSA-N 0 3 281.316 -1.278 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@H]1CCN(C)C1=O ZINC001399018911 889026056 /nfs/dbraw/zinc/02/60/56/889026056.db2.gz DXTIAFFOSNZKOQ-SFYZADRCSA-N 0 3 281.320 -1.851 20 0 CAADHN C[C@H](CNC(=O)c1ccnc2n[nH]nc21)N[C@H](C)C(N)=O ZINC001399006319 889026153 /nfs/dbraw/zinc/02/61/53/889026153.db2.gz TWPYNRIXYXHCJP-RNFRBKRXSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCCS(C)(=O)=O ZINC001399033359 889026831 /nfs/dbraw/zinc/02/68/31/889026831.db2.gz NBXIGGKKJKSMBZ-JGVFFNPUSA-N 0 3 292.361 -2.193 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCCS(C)(=O)=O ZINC001399033362 889027133 /nfs/dbraw/zinc/02/71/33/889027133.db2.gz NBXIGGKKJKSMBZ-SFYZADRCSA-N 0 3 292.361 -2.193 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCc1ccnn1C ZINC001399013312 889027179 /nfs/dbraw/zinc/02/71/79/889027179.db2.gz AASJBPQVUHPPQB-WCBMZHEXSA-N 0 3 280.332 -1.304 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NCC(N)=O ZINC001399035167 889027199 /nfs/dbraw/zinc/02/71/99/889027199.db2.gz KVFNTYCMOBWDKD-GJMOJQLCSA-N 0 3 272.305 -2.401 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001399047195 889027817 /nfs/dbraw/zinc/02/78/17/889027817.db2.gz ZGUZHOVSXSSDJC-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001399025060 889027722 /nfs/dbraw/zinc/02/77/22/889027722.db2.gz GWZJYWHCMPWTLU-ZANVPECISA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CNC(=O)CCn1ncn(C)c1=O)N[C@@H](C)C(N)=O ZINC001399012297 889028119 /nfs/dbraw/zinc/02/81/19/889028119.db2.gz FEGHFBJIYUNQPB-BDAKNGLRSA-N 0 3 298.347 -2.060 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001399024388 889028620 /nfs/dbraw/zinc/02/86/20/889028620.db2.gz HNGXTPAEIGKPPS-RKDXNWHRSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)N[C@H]1CCNC1=O ZINC001399026497 889028796 /nfs/dbraw/zinc/02/87/96/889028796.db2.gz OZABMQJJSMLKFF-UWVGGRQHSA-N 0 3 297.359 -2.599 20 0 CAADHN C[C@H](CNC(=O)CCn1ncn(C)c1=O)NCC(N)=O ZINC001399038928 889028846 /nfs/dbraw/zinc/02/88/46/889028846.db2.gz ULZRJUIZBGMSOV-MRVPVSSYSA-N 0 3 284.320 -2.449 20 0 CAADHN C[C@H](CNC(=O)c1ccnc2n[nH]nc21)N[C@@H](C)C(N)=O ZINC001399006323 889028960 /nfs/dbraw/zinc/02/89/60/889028960.db2.gz TWPYNRIXYXHCJP-RQJHMYQMSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ccnc2n[nH]nc21)C(N)=O ZINC001399006316 889029090 /nfs/dbraw/zinc/02/90/90/889029090.db2.gz TWPYNRIXYXHCJP-NKWVEPMBSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)N[C@H]1CCNC1=O ZINC001399020425 889029159 /nfs/dbraw/zinc/02/91/59/889029159.db2.gz KIEUFHYBLLOJFX-SFYZADRCSA-N 0 3 281.316 -1.278 20 0 CAADHN C[C@H](CNC(=O)c1cccn2c1n[nH]c2=O)NCC(N)=O ZINC001399094499 889030241 /nfs/dbraw/zinc/03/02/41/889030241.db2.gz FXXQBCNYBMPGAS-SSDOTTSWSA-N 0 3 292.299 -1.372 20 0 CAADHN C[C@@H](CNC(=O)Cc1ccc[nH]1)NCC(=O)NC(N)=O ZINC001399148093 889030396 /nfs/dbraw/zinc/03/03/96/889030396.db2.gz BWLRGZZYUGCZNN-QMMMGPOBSA-N 0 3 281.316 -1.154 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cnon1 ZINC001399094637 889030654 /nfs/dbraw/zinc/03/06/54/889030654.db2.gz STDCKGUUJUBUCB-NKWVEPMBSA-N 0 3 298.303 -1.378 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001399093299 889030690 /nfs/dbraw/zinc/03/06/90/889030690.db2.gz YBQLYKHEQSBGOX-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cnon1 ZINC001399094652 889030882 /nfs/dbraw/zinc/03/08/82/889030882.db2.gz STDCKGUUJUBUCB-RQJHMYQMSA-N 0 3 298.303 -1.378 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001399122032 889031079 /nfs/dbraw/zinc/03/10/79/889031079.db2.gz TZJKGKWYPFPZEF-NKWVEPMBSA-N 0 3 280.350 -2.496 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001399157344 889031266 /nfs/dbraw/zinc/03/12/66/889031266.db2.gz MFKYRXMOHKZMLT-SCZZXKLOSA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@H](CNC(=O)CCN1CCCC1=O)NCC(N)=O ZINC001399123466 889031548 /nfs/dbraw/zinc/03/15/48/889031548.db2.gz UXPABKOXDCXZMQ-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)N[C@@H]1CCCNC1=O ZINC001399129905 889031808 /nfs/dbraw/zinc/03/18/08/889031808.db2.gz MIXZSFHWJGEVKW-DTWKUNHWSA-N 0 3 285.348 -1.582 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)N1CCCC1 ZINC001399108423 889032005 /nfs/dbraw/zinc/03/20/05/889032005.db2.gz RESURBIRDGTFDE-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001399122036 889032159 /nfs/dbraw/zinc/03/21/59/889032159.db2.gz TZJKGKWYPFPZEF-RNFRBKRXSA-N 0 3 280.350 -2.496 20 0 CAADHN C[C@H](CNC(=O)c1nc2ncccn2n1)NCC(N)=O ZINC001399081471 889032258 /nfs/dbraw/zinc/03/22/58/889032258.db2.gz HRCNNPZQNSSPRF-SSDOTTSWSA-N 0 3 277.288 -1.683 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001399115211 889032352 /nfs/dbraw/zinc/03/23/52/889032352.db2.gz PDUYPOVBSCVXQW-SFYZADRCSA-N 0 3 292.361 -2.482 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001399093300 889032494 /nfs/dbraw/zinc/03/24/94/889032494.db2.gz YBQLYKHEQSBGOX-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CNC(=O)c1ccn(C)n1)NCC(=O)NC(N)=O ZINC001399128939 889032969 /nfs/dbraw/zinc/03/29/69/889032969.db2.gz XMOLOIJZPXLSMF-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)NC1CC1 ZINC001399117705 889033030 /nfs/dbraw/zinc/03/30/30/889033030.db2.gz XETRCANVJKCJQH-WPRPVWTQSA-N 0 3 282.344 -1.362 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)N[C@@H]1CCN(C)C1=O ZINC001399118581 889033305 /nfs/dbraw/zinc/03/33/05/889033305.db2.gz STQAXQHDGDKKEJ-VHSXEESVSA-N 0 3 280.332 -1.397 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1nc2ncccn2n1 ZINC001399089650 889033730 /nfs/dbraw/zinc/03/37/30/889033730.db2.gz PDAWYQJJNQAKSJ-MRVPVSSYSA-N 0 3 291.315 -1.422 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cnsn2)C1 ZINC001399175081 889034492 /nfs/dbraw/zinc/03/44/92/889034492.db2.gz ZKTJMGVVRYSZDR-LURJTMIESA-N 0 3 298.328 -1.463 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1)NC1CC1 ZINC001399160714 889034523 /nfs/dbraw/zinc/03/45/23/889034523.db2.gz YOGDDXHVOSGTQG-RYUDHWBXSA-N 0 3 297.355 -1.129 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001399189478 889034746 /nfs/dbraw/zinc/03/47/46/889034746.db2.gz VHIWXVDFCPOFPV-UWVGGRQHSA-N 0 3 295.343 -1.863 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@H]2COCCO2)C1)NC1CC1 ZINC001399160711 889034792 /nfs/dbraw/zinc/03/47/92/889034792.db2.gz YOGDDXHVOSGTQG-NWDGAFQWSA-N 0 3 297.355 -1.129 20 0 CAADHN CN(CC(=O)N1CC[C@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001399163333 889034978 /nfs/dbraw/zinc/03/49/78/889034978.db2.gz UJVICJWIAAQGRI-QMMMGPOBSA-N 0 3 292.361 -2.446 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001399187414 889035961 /nfs/dbraw/zinc/03/59/61/889035961.db2.gz ZCFOPLBYTIYGDC-JGVFFNPUSA-N 0 3 297.315 -2.350 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](NCC(=O)N(C)C)C2)[nH]1 ZINC001399179845 889037162 /nfs/dbraw/zinc/03/71/62/889037162.db2.gz WXZHVGANPLWADR-JTQLQIEISA-N 0 3 294.359 -1.066 20 0 CAADHN COCCn1cc(C(=O)NCCN(C)C[C@@H](C)O)nn1 ZINC001399491911 889046143 /nfs/dbraw/zinc/04/61/43/889046143.db2.gz SNVMMDBZZSNTEA-SNVBAGLBSA-N 0 3 285.348 -1.033 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001399487921 889050184 /nfs/dbraw/zinc/05/01/84/889050184.db2.gz MCWBYXZJJASQOG-SNVBAGLBSA-N 0 3 298.343 -2.024 20 0 CAADHN CN(CCNC(=O)[C@H]1CCCN1C)CC(=O)NC(N)=O ZINC001399572024 889052500 /nfs/dbraw/zinc/05/25/00/889052500.db2.gz UJVFEDPRVRQGHK-SECBINFHSA-N 0 3 285.348 -1.677 20 0 CAADHN CN(CCNC(=O)[C@@H]1CNC(=O)N1)CCc1ccnn1C ZINC001399570248 889054904 /nfs/dbraw/zinc/05/49/04/889054904.db2.gz LNLLEXWAHBRMCQ-NSHDSACASA-N 0 3 294.359 -1.308 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001399561286 889056052 /nfs/dbraw/zinc/05/60/52/889056052.db2.gz PXHGNIHQXVYGBR-VHSXEESVSA-N 0 3 288.348 -1.935 20 0 CAADHN COC[C@H](O)CN(CCNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001400000950 889080538 /nfs/dbraw/zinc/08/05/38/889080538.db2.gz YSIPTPFPCJZMHS-VXGBXAGGSA-N 0 3 299.371 -1.147 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCNC(=O)CC1 ZINC001400059582 889085354 /nfs/dbraw/zinc/08/53/54/889085354.db2.gz TWBJJCNAIGBFOR-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@@H]1COC(=O)C1)C(N)=O ZINC001400056326 889086303 /nfs/dbraw/zinc/08/63/03/889086303.db2.gz MBHNWSTXIDSOND-BDAKNGLRSA-N 0 3 271.317 -1.139 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@H]1CCNC1=O)C(N)=O ZINC001400059792 889086329 /nfs/dbraw/zinc/08/63/29/889086329.db2.gz RMRNCXDSKWRLLK-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H](C)NC(C)=O ZINC001400047953 889086352 /nfs/dbraw/zinc/08/63/52/889086352.db2.gz RMCMMJOWVVCAOG-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001400045952 889086620 /nfs/dbraw/zinc/08/66/20/889086620.db2.gz UOGPSVVATZVEHQ-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1coc(C(N)=O)c1 ZINC001400059573 889086720 /nfs/dbraw/zinc/08/67/20/889086720.db2.gz TUKSXYKPZVBNFU-SECBINFHSA-N 0 3 294.311 -1.071 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)C[C@@H]1CCNC1=O ZINC001400049152 889086876 /nfs/dbraw/zinc/08/68/76/889086876.db2.gz GBFNSQLCEJMVQL-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN1CCOCC1)C(N)=O ZINC001400053511 889086910 /nfs/dbraw/zinc/08/69/10/889086910.db2.gz IRKIFCNNSVKFPO-SNVBAGLBSA-N 0 3 272.349 -1.760 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001400045818 889087282 /nfs/dbraw/zinc/08/72/82/889087282.db2.gz DTMMWHTZVAVDPT-BDAKNGLRSA-N 0 3 285.348 -1.808 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H](C)CC(N)=O ZINC001400056626 889087658 /nfs/dbraw/zinc/08/76/58/889087658.db2.gz PKQVFAMCXOWGDV-BDAKNGLRSA-N 0 3 272.349 -1.320 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001400045832 889088268 /nfs/dbraw/zinc/08/82/68/889088268.db2.gz DTMMWHTZVAVDPT-DTWKUNHWSA-N 0 3 285.348 -1.808 20 0 CAADHN Cn1cnn(CCC(=O)NCCN(CCO)C2CC2)c1=O ZINC001400016716 889087985 /nfs/dbraw/zinc/08/79/85/889087985.db2.gz ZOZNPWCZBLPHJD-UHFFFAOYSA-N 0 3 297.359 -1.455 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001400036370 889088349 /nfs/dbraw/zinc/08/83/49/889088349.db2.gz ADQWINLYDQCLMS-QMMMGPOBSA-N 0 3 281.316 -1.324 20 0 CAADHN COCCC(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001400037705 889088603 /nfs/dbraw/zinc/08/86/03/889088603.db2.gz FBVKOMWHFOLJOO-MRVPVSSYSA-N 0 3 274.321 -1.346 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001400059583 889088698 /nfs/dbraw/zinc/08/86/98/889088698.db2.gz TWBJJCNAIGBFOR-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001400036649 889088948 /nfs/dbraw/zinc/08/89/48/889088948.db2.gz BJSZPKHLWBKKHA-JGVFFNPUSA-N 0 3 271.321 -2.020 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001400057567 889089188 /nfs/dbraw/zinc/08/91/88/889089188.db2.gz QPNUNTLEINPGPR-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)c1cnn(C)n1 ZINC001400071740 889089855 /nfs/dbraw/zinc/08/98/55/889089855.db2.gz XZLUVWWTBLHKMA-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)c1cn[nH]c1 ZINC001400072786 889090521 /nfs/dbraw/zinc/09/05/21/889090521.db2.gz UHKMUEBWZVLVLM-QMMMGPOBSA-N 0 3 296.331 -1.085 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001400067661 889091068 /nfs/dbraw/zinc/09/10/68/889091068.db2.gz LWSGVFDHUPJTGV-VWYCJHECSA-N 0 3 296.371 -1.223 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)Cn2cnnn2)CC1 ZINC001400228279 889095566 /nfs/dbraw/zinc/09/55/66/889095566.db2.gz DYEONPMDZSDCIC-UHFFFAOYSA-N 0 3 295.347 -1.671 20 0 CAADHN CC[C@H](C(=O)NC1CN(CC(=O)NC(N)=O)C1)N(C)C ZINC001400372959 889101713 /nfs/dbraw/zinc/10/17/13/889101713.db2.gz FQIWCTUJOPFUKA-SECBINFHSA-N 0 3 285.348 -1.678 20 0 CAADHN CC[C@@H](C(=O)NC1CN(CC(=O)NC(N)=O)C1)N(C)C ZINC001400415139 889105097 /nfs/dbraw/zinc/10/50/97/889105097.db2.gz FQIWCTUJOPFUKA-VIFPVBQESA-N 0 3 285.348 -1.678 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001400484462 889107684 /nfs/dbraw/zinc/10/76/84/889107684.db2.gz UHLIWKGFIQTHCG-UWVGGRQHSA-N 0 3 287.316 -1.850 20 0 CAADHN CC[C@H](C(=O)NC[C@H]1CCN1C(=O)CNC(N)=O)N(C)C ZINC001400436583 889107968 /nfs/dbraw/zinc/10/79/68/889107968.db2.gz AVDGCOAUEBGEPB-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)NC(=O)CN1CC(NC(=O)CN(C)C(C)C)C1 ZINC001400450453 889108306 /nfs/dbraw/zinc/10/83/06/889108306.db2.gz GUADASSQJPVSFU-UHFFFAOYSA-N 0 3 299.375 -1.417 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001400510121 889110127 /nfs/dbraw/zinc/11/01/27/889110127.db2.gz FZJBYUSPVUJHDH-JTQLQIEISA-N 0 3 298.343 -1.205 20 0 CAADHN CNC(=O)[C@@H](C)N1CC(CNC(=O)CCc2cnn[nH]2)C1 ZINC001400527169 889111370 /nfs/dbraw/zinc/11/13/70/889111370.db2.gz IPTAPJPEKPODLX-SECBINFHSA-N 0 3 294.359 -1.080 20 0 CAADHN O=C(Cc1cnc[nH]1)NCC1CN([C@@H]2CCNC2=O)C1 ZINC001400516932 889111566 /nfs/dbraw/zinc/11/15/66/889111566.db2.gz HGERIFXLWQZGMI-LLVKDONJSA-N 0 3 277.328 -1.111 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)CN2CCCC2=O)C1 ZINC001400489025 889111972 /nfs/dbraw/zinc/11/19/72/889111972.db2.gz YPZJXXIFHPVDFO-GFCCVEGCSA-N 0 3 299.371 -1.336 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001400649718 889114631 /nfs/dbraw/zinc/11/46/31/889114631.db2.gz VUNYOKSSUIPHTD-NEPJUHHUSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400653836 889115166 /nfs/dbraw/zinc/11/51/66/889115166.db2.gz MZUHMGZENAYOOA-NXEZZACHSA-N 0 3 293.389 -1.551 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CCn2cncn2)C1 ZINC001400588605 889115225 /nfs/dbraw/zinc/11/52/25/889115225.db2.gz GLUPKJJYEBNEJQ-RYUDHWBXSA-N 0 3 297.359 -1.134 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001400681744 889116114 /nfs/dbraw/zinc/11/61/14/889116114.db2.gz WYWJNCSMXHTNAA-IJLUTSLNSA-N 0 3 299.371 -1.147 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)OC)N[C@H]1CCNC1=O ZINC001400799151 889117835 /nfs/dbraw/zinc/11/78/35/889117835.db2.gz RAQLODLZRQJODC-IUCAKERBSA-N 0 3 286.332 -1.285 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCCO1)NCC(=O)NC(N)=O ZINC001400799948 889117943 /nfs/dbraw/zinc/11/79/43/889117943.db2.gz VSXRRMZQWXUYNB-BDAKNGLRSA-N 0 3 286.332 -1.155 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)C1CC1)N[C@H](C)C(N)=O ZINC001400796339 889118204 /nfs/dbraw/zinc/11/82/04/889118204.db2.gz MYPYVVTVPZWZIO-PSASIEDQSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)CNC(C)=O)N[C@H]1CCNC1=O ZINC001400774772 889118429 /nfs/dbraw/zinc/11/84/29/889118429.db2.gz ZBTUECDFOFLKKD-UWVGGRQHSA-N 0 3 270.333 -1.505 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)COC ZINC001401669394 889174890 /nfs/dbraw/zinc/17/48/90/889174890.db2.gz UMRRPQZVYIGCCB-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)C1CC1)N[C@@H](C)C(N)=O ZINC001400796343 889118829 /nfs/dbraw/zinc/11/88/29/889118829.db2.gz MYPYVVTVPZWZIO-WCBMZHEXSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)NCC(=O)NC ZINC001400793699 889118923 /nfs/dbraw/zinc/11/89/23/889118923.db2.gz BJIPDINHCCDANP-VIFPVBQESA-N 0 3 291.373 -1.739 20 0 CAADHN CC[C@H](CNC(=O)CNC(C)=O)N[C@H]1CCNC1=O ZINC001400774787 889119059 /nfs/dbraw/zinc/11/90/59/889119059.db2.gz ZBTUECDFOFLKKD-ZJUUUORDSA-N 0 3 270.333 -1.505 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)OC)N[C@H]1CCNC1=O ZINC001400799126 889119139 /nfs/dbraw/zinc/11/91/39/889119139.db2.gz RAQLODLZRQJODC-BDAKNGLRSA-N 0 3 286.332 -1.285 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001400743735 889119214 /nfs/dbraw/zinc/11/92/14/889119214.db2.gz MTAJLEAAHORKKY-SRVKXCTJSA-N 0 3 299.371 -1.195 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCCC1=O)N[C@H](C)C(N)=O ZINC001400798237 889119598 /nfs/dbraw/zinc/11/95/98/889119598.db2.gz UXJQPGSRNHLPHG-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](CNC(=O)CN1CCCC1=O)N[C@@H](C)C(N)=O ZINC001400798235 889119505 /nfs/dbraw/zinc/11/95/05/889119505.db2.gz UXJQPGSRNHLPHG-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)CN1CCOCC1)C1CC1 ZINC001400977716 889121088 /nfs/dbraw/zinc/12/10/88/889121088.db2.gz OBSYLISACRSODF-AWEZNQCLSA-N 0 3 298.387 -1.322 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001400901961 889121170 /nfs/dbraw/zinc/12/11/70/889121170.db2.gz IJJYYTNCOKNDFT-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@H](CNC(=O)c1nc2ncccn2n1)NCC(N)=O ZINC001400872519 889121246 /nfs/dbraw/zinc/12/12/46/889121246.db2.gz MWBOCLZKPYEGBC-MRVPVSSYSA-N 0 3 291.315 -1.292 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1COC(=O)N1 ZINC001400816858 889121341 /nfs/dbraw/zinc/12/13/41/889121341.db2.gz QAPYLPFSEDXOCI-IUCAKERBSA-N 0 3 286.332 -1.285 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)NCC(N)=O ZINC001400899200 889121406 /nfs/dbraw/zinc/12/14/06/889121406.db2.gz OZYKKEYRZZPQOT-ZETCQYMHSA-N 0 3 297.315 -1.931 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001401004264 889121471 /nfs/dbraw/zinc/12/14/71/889121471.db2.gz WWERKNGPCVGERL-RNCFNFMXSA-N 0 3 298.343 -1.285 20 0 CAADHN CC[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(=O)NC ZINC001400852267 889121491 /nfs/dbraw/zinc/12/14/91/889121491.db2.gz CZTHYIAMOHUTBA-QMMMGPOBSA-N 0 3 281.316 -1.386 20 0 CAADHN CN1C[C@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)CC1=O ZINC001401008937 889121507 /nfs/dbraw/zinc/12/15/07/889121507.db2.gz SKFXNNWPSCZBBD-OTYXRUKQSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)NCCC(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001401002960 889121516 /nfs/dbraw/zinc/12/15/16/889121516.db2.gz VQJCGXWBPKVGKJ-CYBMUJFWSA-N 0 3 299.375 -1.335 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NC[C@H](CC)NCC(N)=O ZINC001400832514 889121645 /nfs/dbraw/zinc/12/16/45/889121645.db2.gz DWFAHLIVWLKIFU-VHSXEESVSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)NCC(N)=O ZINC001400899199 889121989 /nfs/dbraw/zinc/12/19/89/889121989.db2.gz OZYKKEYRZZPQOT-SSDOTTSWSA-N 0 3 297.315 -1.931 20 0 CAADHN CC[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCC(N)=O ZINC001400866635 889122241 /nfs/dbraw/zinc/12/22/41/889122241.db2.gz WFHSSVRZKVAKPY-UFBFGSQYSA-N 0 3 270.333 -1.375 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001400834361 889122296 /nfs/dbraw/zinc/12/22/96/889122296.db2.gz SECJBWHZSNJRSU-JGVFFNPUSA-N 0 3 271.321 -2.020 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)N[C@@H](C)C(=O)NC ZINC001400829074 889122374 /nfs/dbraw/zinc/12/23/74/889122374.db2.gz KABJRQSAQGCCAX-JGVFFNPUSA-N 0 3 283.336 -1.557 20 0 CAADHN CC[C@@H](CNC(=O)CS(=O)(=O)CC)NCC(=O)NC ZINC001400919194 889122959 /nfs/dbraw/zinc/12/29/59/889122959.db2.gz NIGAMKXTMGBVKA-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN CN1C[C@@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)CC1=O ZINC001401008932 889122456 /nfs/dbraw/zinc/12/24/56/889122456.db2.gz SKFXNNWPSCZBBD-LKFCYVNXSA-N 0 3 296.371 -1.176 20 0 CAADHN CC[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)NCC(N)=O ZINC001400838139 889122506 /nfs/dbraw/zinc/12/25/06/889122506.db2.gz ZAKVVLVFEFVDLT-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001400834367 889122659 /nfs/dbraw/zinc/12/26/59/889122659.db2.gz SECJBWHZSNJRSU-YUMQZZPRSA-N 0 3 271.321 -2.020 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001401004261 889122728 /nfs/dbraw/zinc/12/27/28/889122728.db2.gz WWERKNGPCVGERL-NOZJJQNGSA-N 0 3 298.343 -1.285 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001401087550 889124134 /nfs/dbraw/zinc/12/41/34/889124134.db2.gz PPFJNOKSHUUVMU-RKDXNWHRSA-N 0 3 293.327 -1.162 20 0 CAADHN C[C@H](CNC(=O)CCc1nnc[n-]1)C[NH2+][C@H]1CCNC1=O ZINC001401109973 889124279 /nfs/dbraw/zinc/12/42/79/889124279.db2.gz QIQGGQZESRJIIN-UWVGGRQHSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)c1cnnn1C)C(N)=O ZINC001401083210 889124972 /nfs/dbraw/zinc/12/49/72/889124972.db2.gz FIHRKBXYMILZCZ-DTWKUNHWSA-N 0 3 280.332 -1.117 20 0 CAADHN C[C@@H](CNC(=O)CCc1nnc[n-]1)C[NH2+][C@H]1CCNC1=O ZINC001401109981 889125200 /nfs/dbraw/zinc/12/52/00/889125200.db2.gz QIQGGQZESRJIIN-ZJUUUORDSA-N 0 3 294.359 -1.032 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)[C@H](C)NC(N)=O ZINC001401083834 889125285 /nfs/dbraw/zinc/12/52/85/889125285.db2.gz LFFCNWGBHPFEDR-LPEHRKFASA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)c1cnnn1C)C(N)=O ZINC001401083211 889125615 /nfs/dbraw/zinc/12/56/15/889125615.db2.gz FIHRKBXYMILZCZ-RKDXNWHRSA-N 0 3 280.332 -1.117 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001401087495 889125721 /nfs/dbraw/zinc/12/57/21/889125721.db2.gz ZRYZBQMVCBDCOY-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)CNC(=O)C1CC1)C(N)=O ZINC001401081718 889125887 /nfs/dbraw/zinc/12/58/87/889125887.db2.gz ONUXNUYZEOJJEC-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)CCn1cnnn1)C(N)=O ZINC001401091594 889125902 /nfs/dbraw/zinc/12/59/02/889125902.db2.gz CSPAIBKWHRJIEV-NXEZZACHSA-N 0 3 295.347 -1.482 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001401087624 889125949 /nfs/dbraw/zinc/12/59/49/889125949.db2.gz KCYALTHGOCPRCL-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)Cn1ccccc1=O ZINC001401250932 889130523 /nfs/dbraw/zinc/13/05/23/889130523.db2.gz MQJDEKKQZKFRIU-SNVBAGLBSA-N 0 3 280.328 -1.230 20 0 CAADHN C[C@@H](O)CN1CCO[C@@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001401171235 889130543 /nfs/dbraw/zinc/13/05/43/889130543.db2.gz USHFMKHQURVVHO-PWSUYJOCSA-N 0 3 297.359 -1.065 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)CCNC(N)=O ZINC001401249057 889130594 /nfs/dbraw/zinc/13/05/94/889130594.db2.gz AZBYKTMFUHJXNY-SECBINFHSA-N 0 3 287.364 -1.431 20 0 CAADHN CC(=O)NC[C@@H](NCC(=O)N1CCNC(=O)C1)C(C)C ZINC001401312442 889130804 /nfs/dbraw/zinc/13/08/04/889130804.db2.gz NWTKZFZDZBAJKA-LLVKDONJSA-N 0 3 284.360 -1.305 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001401237594 889131061 /nfs/dbraw/zinc/13/10/61/889131061.db2.gz RPDRZCWARRBMQI-MRVPVSSYSA-N 0 3 283.336 -1.604 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001401253771 889131113 /nfs/dbraw/zinc/13/11/13/889131113.db2.gz OLJZGFNVYNPSNC-ZETCQYMHSA-N 0 3 280.350 -2.543 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CS(C)(=O)=O ZINC001401198773 889131172 /nfs/dbraw/zinc/13/11/72/889131172.db2.gz FJOLQZVEZSTCMY-DTWKUNHWSA-N 0 3 291.373 -1.644 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CS(C)(=O)=O ZINC001401198776 889131889 /nfs/dbraw/zinc/13/18/89/889131889.db2.gz FJOLQZVEZSTCMY-IUCAKERBSA-N 0 3 291.373 -1.644 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2COC(=O)N2)CCCC1 ZINC001401178442 889131301 /nfs/dbraw/zinc/13/13/01/889131301.db2.gz AEMYQYWKWQVSPZ-MRVPVSSYSA-N 0 3 284.316 -1.401 20 0 CAADHN C[C@@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNCC(N)=O ZINC001401314314 889131463 /nfs/dbraw/zinc/13/14/63/889131463.db2.gz UDANWUJSSOIKFU-GHMZBOCLSA-N 0 3 294.359 -1.020 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCN1CCOCC1 ZINC001401253101 889131562 /nfs/dbraw/zinc/13/15/62/889131562.db2.gz BASXNAOLQMKMIO-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C)NC(N)=O ZINC001401213534 889131854 /nfs/dbraw/zinc/13/18/54/889131854.db2.gz JMLILFYUKZLDKO-SFYZADRCSA-N 0 3 273.337 -1.774 20 0 CAADHN C[C@H](O)CN1CCO[C@@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001401171228 889132153 /nfs/dbraw/zinc/13/21/53/889132153.db2.gz USHFMKHQURVVHO-JQWIXIFHSA-N 0 3 297.359 -1.065 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H](C)NC(N)=O ZINC001401213537 889132477 /nfs/dbraw/zinc/13/24/77/889132477.db2.gz JMLILFYUKZLDKO-YUMQZZPRSA-N 0 3 273.337 -1.774 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CCn1cnnn1 ZINC001401255991 889132646 /nfs/dbraw/zinc/13/26/46/889132646.db2.gz MGODXANRUBRLOX-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CNC(=O)C1CC1 ZINC001401198557 889132667 /nfs/dbraw/zinc/13/26/67/889132667.db2.gz FIRUDAVXPMMHAM-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001401275399 889132710 /nfs/dbraw/zinc/13/27/10/889132710.db2.gz WEVOPXSXPNTYOY-VIFPVBQESA-N 0 3 295.343 -1.011 20 0 CAADHN CCCNC(=O)CNC[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001401207268 889132856 /nfs/dbraw/zinc/13/28/56/889132856.db2.gz KIXLUNOPDVZVGS-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001401275396 889132965 /nfs/dbraw/zinc/13/29/65/889132965.db2.gz WEVOPXSXPNTYOY-SECBINFHSA-N 0 3 295.343 -1.011 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CCNC(N)=O)C(C)C ZINC001401359145 889134196 /nfs/dbraw/zinc/13/41/96/889134196.db2.gz UXLUVYAKTPCWSO-SECBINFHSA-N 0 3 287.364 -1.479 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)NCC(N)=O ZINC001401326707 889134786 /nfs/dbraw/zinc/13/47/86/889134786.db2.gz CBGHXWPPBTZCGP-BDAKNGLRSA-N 0 3 293.389 -1.365 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C(C)C ZINC001401343191 889134817 /nfs/dbraw/zinc/13/48/17/889134817.db2.gz XJQOLVQLTAEWLV-VHSXEESVSA-N 0 3 299.375 -1.514 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)c1cnn(C)n1 ZINC001401398137 889134904 /nfs/dbraw/zinc/13/49/04/889134904.db2.gz SCAZXJXAGVTDQS-SNVBAGLBSA-N 0 3 285.348 -1.174 20 0 CAADHN CN(CCCO)CCN(C)C(=O)CCn1cnnn1 ZINC001401417718 889135935 /nfs/dbraw/zinc/13/59/35/889135935.db2.gz URWHKFUKIOZPJC-UHFFFAOYSA-N 0 3 270.337 -1.164 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN(C)C[C@H](O)COC ZINC001401373602 889135718 /nfs/dbraw/zinc/13/57/18/889135718.db2.gz XPOLPZVCIFNOEM-JTQLQIEISA-N 0 3 290.364 -1.687 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001401386863 889136094 /nfs/dbraw/zinc/13/60/94/889136094.db2.gz YDMAXQJSVPZRMK-VHSXEESVSA-N 0 3 288.348 -1.935 20 0 CAADHN CN(CCN(C)C(=O)Cc1ncn[nH]1)CC(=O)NC(N)=O ZINC001401423857 889136449 /nfs/dbraw/zinc/13/64/49/889136449.db2.gz RAWDZAWTNIVBPQ-UHFFFAOYSA-N 0 3 297.319 -2.068 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C(C)C ZINC001401343193 889136547 /nfs/dbraw/zinc/13/65/47/889136547.db2.gz XJQOLVQLTAEWLV-ZJUUUORDSA-N 0 3 299.375 -1.514 20 0 CAADHN COCCN(C)CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001401443985 889136566 /nfs/dbraw/zinc/13/65/66/889136566.db2.gz VHLQLIKEMUVSHL-UHFFFAOYSA-N 0 3 298.347 -1.586 20 0 CAADHN CC(C)[C@@H](CNC(=O)CN1CCCNC1=O)NCC(N)=O ZINC001401327265 889136632 /nfs/dbraw/zinc/13/66/32/889136632.db2.gz AILUTMWQLIFGPL-SNVBAGLBSA-N 0 3 299.375 -1.383 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)C1CCOCC1 ZINC001401475685 889136656 /nfs/dbraw/zinc/13/66/56/889136656.db2.gz BRNMNWDKNOYMPP-LLVKDONJSA-N 0 3 287.360 -1.384 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1CC1)N1CCOCC1 ZINC001401487590 889138278 /nfs/dbraw/zinc/13/82/78/889138278.db2.gz LOYLDNGGASDGQT-LLVKDONJSA-N 0 3 285.344 -1.678 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001401486353 889138469 /nfs/dbraw/zinc/13/84/69/889138469.db2.gz GYMXGQPQAJXHQE-WDEREUQCSA-N 0 3 287.360 -1.242 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CN[C@H](C)c1n[nH]c(C)n1 ZINC001401491841 889138690 /nfs/dbraw/zinc/13/86/90/889138690.db2.gz XAOFGGPMMSKAIM-XCBNKYQSSA-N 0 3 298.347 -1.623 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)NC(C)C)[nH]n1 ZINC001401484114 889139488 /nfs/dbraw/zinc/13/94/88/889139488.db2.gz DSAZVBQQVRHEEG-SNVBAGLBSA-N 0 3 297.359 -1.077 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CN[C@@H](C)c1n[nH]c(C)n1 ZINC001401491826 889139674 /nfs/dbraw/zinc/13/96/74/889139674.db2.gz XAOFGGPMMSKAIM-OIBJUYFYSA-N 0 3 298.347 -1.623 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnns1 ZINC001401488378 889140031 /nfs/dbraw/zinc/14/00/31/889140031.db2.gz KAHLPGLMIUCWAH-ZCFIWIBFSA-N 0 3 273.318 -2.036 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cn[nH]c1)C(=O)NC1CC1 ZINC001401485718 889139707 /nfs/dbraw/zinc/13/97/07/889139707.db2.gz HQOMSPDFRIMOQI-GZMMTYOYSA-N 0 3 295.343 -1.243 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001401486343 889139768 /nfs/dbraw/zinc/13/97/68/889139768.db2.gz GYMXGQPQAJXHQE-MNOVXSKESA-N 0 3 287.360 -1.242 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnccn1 ZINC001401484698 889139926 /nfs/dbraw/zinc/13/99/26/889139926.db2.gz GESOQCVZVCIAOV-IUCAKERBSA-N 0 3 281.316 -1.709 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1coc(C)n1)C(N)=O ZINC001401488804 889139951 /nfs/dbraw/zinc/13/99/51/889139951.db2.gz JHFDOBULOZRUSM-BDAKNGLRSA-N 0 3 284.316 -1.073 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnccn1 ZINC001401484677 889140507 /nfs/dbraw/zinc/14/05/07/889140507.db2.gz GESOQCVZVCIAOV-BDAKNGLRSA-N 0 3 281.316 -1.709 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001401480320 889140790 /nfs/dbraw/zinc/14/07/90/889140790.db2.gz ATOYTJXRCPIHSL-WDEREUQCSA-N 0 3 287.360 -1.384 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnsn1 ZINC001401494861 889142219 /nfs/dbraw/zinc/14/22/19/889142219.db2.gz TZAMLMOPZNMXQP-ZETCQYMHSA-N 0 3 287.345 -1.646 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnsn1 ZINC001401494857 889142000 /nfs/dbraw/zinc/14/20/00/889142000.db2.gz TZAMLMOPZNMXQP-SSDOTTSWSA-N 0 3 287.345 -1.646 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)C1=CCOCC1 ZINC001401496673 889142031 /nfs/dbraw/zinc/14/20/31/889142031.db2.gz KQSNHTFPMBNVJX-RYUDHWBXSA-N 0 3 297.355 -1.322 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cnns1 ZINC001401495159 889142051 /nfs/dbraw/zinc/14/20/51/889142051.db2.gz VGGMEDFUERQYOY-RNFRBKRXSA-N 0 3 285.329 -1.893 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cncnc1C)C(N)=O ZINC001401496646 889142136 /nfs/dbraw/zinc/14/21/36/889142136.db2.gz RORCTBWRGOEODF-KOLCDFICSA-N 0 3 295.343 -1.271 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1ccon1 ZINC001401495527 889142691 /nfs/dbraw/zinc/14/26/91/889142691.db2.gz QAPPLRCBAXCCTP-SECBINFHSA-N 0 3 284.316 -1.121 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCCO1)NC1CC1 ZINC001401493262 889142899 /nfs/dbraw/zinc/14/28/99/889142899.db2.gz RVAISDKPDCIYOU-QWRGUYRKSA-N 0 3 285.344 -1.489 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)co1 ZINC001401492469 889142991 /nfs/dbraw/zinc/14/29/91/889142991.db2.gz FVWBTHQZDQOPAD-XPUUQOCRSA-N 0 3 270.289 -1.463 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCn1cccn1)C(N)=O ZINC001401494259 889143319 /nfs/dbraw/zinc/14/33/19/889143319.db2.gz SQDDBCKJDPJGJV-UWVGGRQHSA-N 0 3 283.332 -1.786 20 0 CAADHN Cc1ccnc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001401496034 889143111 /nfs/dbraw/zinc/14/31/11/889143111.db2.gz UIGCSSMNUSILOC-NXEZZACHSA-N 0 3 293.327 -1.646 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1=COCCO1)C(N)=O ZINC001401493048 889143490 /nfs/dbraw/zinc/14/34/90/889143490.db2.gz PJOWOUJTLRWHTM-SFYZADRCSA-N 0 3 273.289 -2.185 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnc(C)cn1 ZINC001401497242 889143615 /nfs/dbraw/zinc/14/36/15/889143615.db2.gz VPQBWJZNZLVDFM-SNVBAGLBSA-N 0 3 295.343 -1.399 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCCO1)NC1CC1 ZINC001401493264 889143813 /nfs/dbraw/zinc/14/38/13/889143813.db2.gz RVAISDKPDCIYOU-WDEREUQCSA-N 0 3 285.344 -1.489 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C1CC1 ZINC001401496146 889143927 /nfs/dbraw/zinc/14/39/27/889143927.db2.gz WXTFWERIVRIOHS-VXNVDRBHSA-N 0 3 286.332 -1.693 20 0 CAADHN CCCC(=O)NC[C@H](O)CNCC(=O)N1CCOCC1 ZINC001401492710 889144111 /nfs/dbraw/zinc/14/41/11/889144111.db2.gz XPEGLGOQNPUVCD-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN CCc1ocnc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001401497151 889144207 /nfs/dbraw/zinc/14/42/07/889144207.db2.gz ALUXFFZFUVSPGZ-SSDOTTSWSA-N 0 3 270.289 -1.597 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1=COCCO1)C(N)=O ZINC001401493043 889144285 /nfs/dbraw/zinc/14/42/85/889144285.db2.gz PJOWOUJTLRWHTM-HTQZYQBOSA-N 0 3 273.289 -2.185 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cncnc1C)C(N)=O ZINC001401496677 889144306 /nfs/dbraw/zinc/14/43/06/889144306.db2.gz RORCTBWRGOEODF-ONGXEEELSA-N 0 3 295.343 -1.271 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1cnn(C)c1)C(N)=O ZINC001401498068 889144491 /nfs/dbraw/zinc/14/44/91/889144491.db2.gz NFMXDSOODZCXOE-WCBMZHEXSA-N 0 3 283.332 -2.097 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001401507738 889146369 /nfs/dbraw/zinc/14/63/69/889146369.db2.gz OIBJRPWVZOPMPO-NXEZZACHSA-N 0 3 295.343 -1.371 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cncs1 ZINC001401503375 889146401 /nfs/dbraw/zinc/14/64/01/889146401.db2.gz YAGKFZHQEOXMAK-MRVPVSSYSA-N 0 3 286.357 -1.088 20 0 CAADHN O=C(C[C@@H]1CCOC1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001401500317 889146479 /nfs/dbraw/zinc/14/64/79/889146479.db2.gz CVUDEAONLJTPSW-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cnn1 ZINC001401498803 889146579 /nfs/dbraw/zinc/14/65/79/889146579.db2.gz WWLAVJWCVZRPMR-WPRPVWTQSA-N 0 3 281.316 -1.661 20 0 CAADHN O=C(C[C@@H]1CCOC1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001401500325 889146621 /nfs/dbraw/zinc/14/66/21/889146621.db2.gz CVUDEAONLJTPSW-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001401503831 889146822 /nfs/dbraw/zinc/14/68/22/889146822.db2.gz HMTZEJRNLSOPBU-POYBYMJQSA-N 0 3 293.345 -3.029 20 0 CAADHN O=C(NC[C@H](O)CNCc1ccccn1)[C@H]1COC(=O)N1 ZINC001401504947 889146831 /nfs/dbraw/zinc/14/68/31/889146831.db2.gz JIKAYYDETQVWNN-GHMZBOCLSA-N 0 3 294.311 -1.243 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cncs1 ZINC001401503377 889146874 /nfs/dbraw/zinc/14/68/74/889146874.db2.gz YAGKFZHQEOXMAK-QMMMGPOBSA-N 0 3 286.357 -1.088 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnnc(C)c1 ZINC001401499565 889147073 /nfs/dbraw/zinc/14/70/73/889147073.db2.gz YNXNVYTXSJXYHH-NSHDSACASA-N 0 3 295.343 -1.399 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001401504335 889147107 /nfs/dbraw/zinc/14/71/07/889147107.db2.gz LFHXWNMRSNLFKG-DTWKUNHWSA-N 0 3 296.331 -2.133 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccnn1C)C(N)=O ZINC001401502602 889147327 /nfs/dbraw/zinc/14/73/27/889147327.db2.gz PMUNTRGQLIDJLJ-BDAKNGLRSA-N 0 3 283.332 -1.636 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cnn1 ZINC001401498799 889147677 /nfs/dbraw/zinc/14/76/77/889147677.db2.gz WWLAVJWCVZRPMR-SCZZXKLOSA-N 0 3 281.316 -1.661 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001401498414 889147442 /nfs/dbraw/zinc/14/74/42/889147442.db2.gz FWSJBPCAJCJZNX-UWVGGRQHSA-N 0 3 295.343 -1.323 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001401504342 889147501 /nfs/dbraw/zinc/14/75/01/889147501.db2.gz LFHXWNMRSNLFKG-IUCAKERBSA-N 0 3 296.331 -2.133 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1=COCCC1)N1CCC1 ZINC001401502483 889147540 /nfs/dbraw/zinc/14/75/40/889147540.db2.gz PAXUCNLEBRWJAM-GFCCVEGCSA-N 0 3 297.355 -1.020 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001401498415 889147700 /nfs/dbraw/zinc/14/77/00/889147700.db2.gz FWSJBPCAJCJZNX-VHSXEESVSA-N 0 3 295.343 -1.323 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001401504773 889147767 /nfs/dbraw/zinc/14/77/67/889147767.db2.gz JAHSKMUVXWJJGP-ZYHUDNBSSA-N 0 3 287.360 -1.698 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)cn1 ZINC001401508770 889148989 /nfs/dbraw/zinc/14/89/89/889148989.db2.gz MQNTYJPICNQTIU-MNOVXSKESA-N 0 3 295.343 -1.528 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1n[nH]cc1C)C(N)=O ZINC001401511500 889149228 /nfs/dbraw/zinc/14/92/28/889149228.db2.gz UDSCOKWYTAERPO-BDAKNGLRSA-N 0 3 283.332 -1.338 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cncc(F)c1)C(N)=O ZINC001401520528 889149423 /nfs/dbraw/zinc/14/94/23/889149423.db2.gz RQQXBRYVHFWCJG-OIBJUYFYSA-N 0 3 284.291 -1.225 20 0 CAADHN COCC1(CC(=O)NC[C@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001401509965 889149602 /nfs/dbraw/zinc/14/96/02/889149602.db2.gz QYPAQDNHYWHOMR-MNOVXSKESA-N 0 3 299.371 -1.242 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)Cn2cccn2)n[nH]1 ZINC001401511202 889149884 /nfs/dbraw/zinc/14/98/84/889149884.db2.gz MJZQUSOIAYQJGY-JTQLQIEISA-N 0 3 293.331 -1.423 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)cn1 ZINC001401518594 889150006 /nfs/dbraw/zinc/15/00/06/889150006.db2.gz UJTWBXYRDLHWEP-RYUDHWBXSA-N 0 3 292.339 -1.041 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cncc2[nH]ccc21 ZINC001401532792 889150152 /nfs/dbraw/zinc/15/01/52/889150152.db2.gz CUUQFWXXTXBFNS-QMMMGPOBSA-N 0 3 291.311 -1.272 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cccn1C ZINC001401522171 889150280 /nfs/dbraw/zinc/15/02/80/889150280.db2.gz WWEQFZKWVTZPMQ-VHSXEESVSA-N 0 3 282.344 -1.160 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cncc2[nH]ccc21 ZINC001401532789 889150570 /nfs/dbraw/zinc/15/05/70/889150570.db2.gz CUUQFWXXTXBFNS-MRVPVSSYSA-N 0 3 291.311 -1.272 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1n[nH]cc1C)C(N)=O ZINC001401511529 889150591 /nfs/dbraw/zinc/15/05/91/889150591.db2.gz UDSCOKWYTAERPO-DTWKUNHWSA-N 0 3 283.332 -1.338 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1nnc(C)o1 ZINC001401518230 889150847 /nfs/dbraw/zinc/15/08/47/889150847.db2.gz ZUJRWMGNGVSLSG-MRVPVSSYSA-N 0 3 285.304 -2.267 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCCCO1 ZINC001401517205 889150868 /nfs/dbraw/zinc/15/08/68/889150868.db2.gz OSZXNOOYKDMSIK-WDEREUQCSA-N 0 3 287.360 -1.242 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cncc(F)c1 ZINC001401517601 889151061 /nfs/dbraw/zinc/15/10/61/889151061.db2.gz PMLRIVOQOFZALP-MNOVXSKESA-N 0 3 296.302 -1.211 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)nn1 ZINC001401508592 889151087 /nfs/dbraw/zinc/15/10/87/889151087.db2.gz OOVOBQMWYFICQJ-BDAKNGLRSA-N 0 3 296.331 -2.274 20 0 CAADHN Cn1cc(CC(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)cn1 ZINC001401508875 889151187 /nfs/dbraw/zinc/15/11/87/889151187.db2.gz UMKLBFADYRCOPQ-WDEREUQCSA-N 0 3 295.343 -2.082 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cncc(F)c1 ZINC001401517616 889151266 /nfs/dbraw/zinc/15/12/66/889151266.db2.gz PMLRIVOQOFZALP-WDEREUQCSA-N 0 3 296.302 -1.211 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1nnn(C)c1C ZINC001401510421 889151331 /nfs/dbraw/zinc/15/13/31/889151331.db2.gz OGRHIPARAUMEGS-QMMMGPOBSA-N 0 3 284.320 -2.450 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CCn1cncn1 ZINC001401515077 889151534 /nfs/dbraw/zinc/15/15/34/889151534.db2.gz RFGDBEXIEHAVNT-SNVBAGLBSA-N 0 3 298.347 -2.177 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccc2cc[nH]c2n1 ZINC001401536588 889152684 /nfs/dbraw/zinc/15/26/84/889152684.db2.gz INSSZQRPEWWCEV-SECBINFHSA-N 0 3 291.311 -1.272 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccns1 ZINC001401541682 889153062 /nfs/dbraw/zinc/15/30/62/889153062.db2.gz NBPPXNACAKXNTB-ZETCQYMHSA-N 0 3 272.330 -1.431 20 0 CAADHN COc1nc(C(=O)NC[C@@H](O)CNCC(N)=O)co1 ZINC001401540175 889153283 /nfs/dbraw/zinc/15/32/83/889153283.db2.gz DPRUCDWNOALSSD-LURJTMIESA-N 0 3 272.261 -2.151 20 0 CAADHN CC(C)(C)n1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001401542915 889153637 /nfs/dbraw/zinc/15/36/37/889153637.db2.gz PJCMRKWXIHZIJY-VIFPVBQESA-N 0 3 297.359 -1.196 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1cncnc1)C(N)=O ZINC001401544316 889154056 /nfs/dbraw/zinc/15/40/56/889154056.db2.gz FXMOWQIKWXIEMK-GXSJLCMTSA-N 0 3 295.343 -1.650 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC1(F)F ZINC001401537915 889154280 /nfs/dbraw/zinc/15/42/80/889154280.db2.gz JAMCXQCMQGDCCI-YUMQZZPRSA-N 0 3 279.287 -1.156 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cncn1C ZINC001401550364 889154386 /nfs/dbraw/zinc/15/43/86/889154386.db2.gz XBVXOWHZTHRGPU-VIFPVBQESA-N 0 3 283.332 -1.811 20 0 CAADHN CCCc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)[nH]n1 ZINC001401543654 889154467 /nfs/dbraw/zinc/15/44/67/889154467.db2.gz BDHDXZMWBYPZJT-VIFPVBQESA-N 0 3 283.332 -1.472 20 0 CAADHN O=C(Cc1cnoc1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001401541911 889154641 /nfs/dbraw/zinc/15/46/41/889154641.db2.gz AUYYJLQZBLHACV-VHSXEESVSA-N 0 3 282.300 -1.828 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)[nH]1 ZINC001401549075 889154658 /nfs/dbraw/zinc/15/46/58/889154658.db2.gz CCHDZDYPHGRQCH-IONNQARKSA-N 0 3 283.332 -1.419 20 0 CAADHN Cn1ccc(CCC(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001401536561 889154799 /nfs/dbraw/zinc/15/47/99/889154799.db2.gz HLDCFMXERGCCHW-JTQLQIEISA-N 0 3 283.332 -2.095 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001401544659 889154847 /nfs/dbraw/zinc/15/48/47/889154847.db2.gz PYASCNBPTMKLIB-UWVGGRQHSA-N 0 3 295.343 -1.703 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CNCc2cccnc2)n1 ZINC001401546608 889154931 /nfs/dbraw/zinc/15/49/31/889154931.db2.gz BMJACHYQVHJIOS-JTQLQIEISA-N 0 3 291.315 -1.514 20 0 CAADHN CCCc1cc(C(=O)NC[C@H](O)CNCC(N)=O)[nH]n1 ZINC001401543596 889154987 /nfs/dbraw/zinc/15/49/87/889154987.db2.gz BDHDXZMWBYPZJT-SECBINFHSA-N 0 3 283.332 -1.472 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1ccon1 ZINC001401554951 889156068 /nfs/dbraw/zinc/15/60/68/889156068.db2.gz RFNNTWKGISJGFV-SECBINFHSA-N 0 3 270.289 -1.841 20 0 CAADHN Cc1nn(C)cc1CCC(=O)NC[C@H](O)CNCC(N)=O ZINC001401557853 889156194 /nfs/dbraw/zinc/15/61/94/889156194.db2.gz LCTOVRQRPBPUBG-LLVKDONJSA-N 0 3 297.359 -1.787 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001401556396 889156448 /nfs/dbraw/zinc/15/64/48/889156448.db2.gz ADVANWIYARPRFS-SCZZXKLOSA-N 0 3 295.343 -1.459 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001401560390 889156465 /nfs/dbraw/zinc/15/64/65/889156465.db2.gz DKDNENCPCBWXIY-SSDOTTSWSA-N 0 3 283.288 -2.804 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CCn1ccnc1 ZINC001401556861 889156506 /nfs/dbraw/zinc/15/65/06/889156506.db2.gz PMOSBWBUFNANPS-LLVKDONJSA-N 0 3 297.359 -1.572 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc2n(n1)CCO2 ZINC001401560724 889156518 /nfs/dbraw/zinc/15/65/18/889156518.db2.gz UVHZLPFHVVHEKV-QMMMGPOBSA-N 0 3 297.315 -2.298 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001401553982 889156553 /nfs/dbraw/zinc/15/65/53/889156553.db2.gz JNWFSPPEPBWNOK-MRVPVSSYSA-N 0 3 299.335 -2.583 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001401556385 889156635 /nfs/dbraw/zinc/15/66/35/889156635.db2.gz ADVANWIYARPRFS-PSASIEDQSA-N 0 3 295.343 -1.459 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccnnc1)C(N)=O ZINC001401555006 889156716 /nfs/dbraw/zinc/15/67/16/889156716.db2.gz JWROWCGUWBKCBG-UWVGGRQHSA-N 0 3 281.316 -1.579 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001401564554 889156776 /nfs/dbraw/zinc/15/67/76/889156776.db2.gz ZTNLOIINIXFKOF-VIFPVBQESA-N 0 3 295.343 -1.287 20 0 CAADHN COc1ccc(CC(=O)NC[C@@H](O)CNCC(N)=O)cc1 ZINC001401557752 889156886 /nfs/dbraw/zinc/15/68/86/889156886.db2.gz AUPMMUMDOISUIZ-NSHDSACASA-N 0 3 295.339 -1.210 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccnnc1)C(N)=O ZINC001401555001 889156912 /nfs/dbraw/zinc/15/69/12/889156912.db2.gz JWROWCGUWBKCBG-NXEZZACHSA-N 0 3 281.316 -1.579 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccnnc1)C(N)=O ZINC001401555012 889156982 /nfs/dbraw/zinc/15/69/82/889156982.db2.gz JWROWCGUWBKCBG-ZJUUUORDSA-N 0 3 281.316 -1.579 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNCc1ncnn1C)N(C)C ZINC001401551749 889157007 /nfs/dbraw/zinc/15/70/07/889157007.db2.gz HBWWWKWCEZJRCP-QWRGUYRKSA-N 0 3 298.391 -1.278 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C2CC2)n[nH]1 ZINC001401564551 889157152 /nfs/dbraw/zinc/15/71/52/889157152.db2.gz ZTNLOIINIXFKOF-SECBINFHSA-N 0 3 295.343 -1.287 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CCn1cnnn1 ZINC001401562900 889157182 /nfs/dbraw/zinc/15/71/82/889157182.db2.gz BONSSEXPIONCIE-BDAKNGLRSA-N 0 3 299.335 -2.736 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1oncc1C)C(N)=O ZINC001401560357 889157240 /nfs/dbraw/zinc/15/72/40/889157240.db2.gz HLDFKBSHOSESOW-RKDXNWHRSA-N 0 3 284.316 -1.073 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001401564886 889157304 /nfs/dbraw/zinc/15/73/04/889157304.db2.gz CBQLTVUWNGIOCA-VIFPVBQESA-N 0 3 283.332 -1.845 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cccnc1C ZINC001401564927 889157332 /nfs/dbraw/zinc/15/73/32/889157332.db2.gz YAWMLEGFMJOLDV-GFCCVEGCSA-N 0 3 294.355 -1.255 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)n1 ZINC001401556101 889157413 /nfs/dbraw/zinc/15/74/13/889157413.db2.gz BTNSHLIELMRIIT-DTWKUNHWSA-N 0 3 296.331 -2.226 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2csnn2)C1=O ZINC001401553462 889157596 /nfs/dbraw/zinc/15/75/96/889157596.db2.gz VVCDUTKPRMOFDV-YUMQZZPRSA-N 0 3 299.356 -1.551 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001401564465 889157625 /nfs/dbraw/zinc/15/76/25/889157625.db2.gz KMXFHAYXEYVAMZ-SFYZADRCSA-N 0 3 283.332 -1.474 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001401563282 889157642 /nfs/dbraw/zinc/15/76/42/889157642.db2.gz SNTDAGNTLGKNBJ-ZETCQYMHSA-N 0 3 285.308 -3.021 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnn2cc[nH]c12 ZINC001401558232 889157842 /nfs/dbraw/zinc/15/78/42/889157842.db2.gz CXGSUSIMYCQKND-QMMMGPOBSA-N 0 3 294.315 -1.911 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccnnc1)N1CCC1 ZINC001401551387 889157907 /nfs/dbraw/zinc/15/79/07/889157907.db2.gz CZPUEASWCYEHBX-NSHDSACASA-N 0 3 293.327 -1.611 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cnoc1 ZINC001401552449 889157928 /nfs/dbraw/zinc/15/79/28/889157928.db2.gz KHJWYNXVTQSXOI-VIFPVBQESA-N 0 3 270.289 -1.970 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)CCC1 ZINC001401553301 889157944 /nfs/dbraw/zinc/15/79/44/889157944.db2.gz QVOBXPWQAJNVDC-NXEZZACHSA-N 0 3 287.360 -1.256 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1noc2c1CCCC2 ZINC001401561980 889158122 /nfs/dbraw/zinc/15/81/22/889158122.db2.gz VWCDEUHESADKME-QMMMGPOBSA-N 0 3 296.327 -1.281 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnco1)NC1CC1 ZINC001401555466 889158614 /nfs/dbraw/zinc/15/86/14/889158614.db2.gz OPXSBIZQRMKTHH-SECBINFHSA-N 0 3 282.300 -1.367 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001401560554 889158715 /nfs/dbraw/zinc/15/87/15/889158715.db2.gz DKDNENCPCBWXIY-ZETCQYMHSA-N 0 3 283.288 -2.804 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)nn1 ZINC001401569710 889159797 /nfs/dbraw/zinc/15/97/97/889159797.db2.gz QHBRIBUVFHWRTR-SFYZADRCSA-N 0 3 297.315 -1.961 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1cnoc1)C(N)=O ZINC001401565025 889159948 /nfs/dbraw/zinc/15/99/48/889159948.db2.gz YHYHQHULRPRUOJ-ZJUUUORDSA-N 0 3 284.316 -1.452 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1COc2ccccc21 ZINC001401571327 889160026 /nfs/dbraw/zinc/16/00/26/889160026.db2.gz JXKWEZIGXFFAJZ-ONGXEEELSA-N 0 3 293.323 -1.285 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1cnoc1)C(N)=O ZINC001401565021 889160388 /nfs/dbraw/zinc/16/03/88/889160388.db2.gz YHYHQHULRPRUOJ-UWVGGRQHSA-N 0 3 284.316 -1.452 20 0 CAADHN CCCc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001401569912 889160499 /nfs/dbraw/zinc/16/04/99/889160499.db2.gz SHMOQKOPCBBOKB-BDAKNGLRSA-N 0 3 297.359 -1.084 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)nn1 ZINC001401569714 889160758 /nfs/dbraw/zinc/16/07/58/889160758.db2.gz QHBRIBUVFHWRTR-YUMQZZPRSA-N 0 3 297.315 -1.961 20 0 CAADHN Cn1cnnc1CNC[C@H](O)CNC(=O)CN1CCCC1 ZINC001401572925 889160983 /nfs/dbraw/zinc/16/09/83/889160983.db2.gz SALIXPZIICMBFC-NSHDSACASA-N 0 3 296.375 -1.522 20 0 CAADHN CCN(CC)C(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001401573716 889161121 /nfs/dbraw/zinc/16/11/21/889161121.db2.gz GPFDVCAGSCXBRZ-SECBINFHSA-N 0 3 299.331 -1.382 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001401572512 889161152 /nfs/dbraw/zinc/16/11/52/889161152.db2.gz SXCGRWXOIAVCBK-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)CCOC1 ZINC001401574529 889161253 /nfs/dbraw/zinc/16/12/53/889161253.db2.gz LEGJIDPSKJHSKL-BXUZGUMPSA-N 0 3 299.371 -1.242 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccncn1)C(N)=O ZINC001401566455 889161326 /nfs/dbraw/zinc/16/13/26/889161326.db2.gz AZNMRQPGAMDCTR-DTWKUNHWSA-N 0 3 281.316 -1.579 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001401568338 889161352 /nfs/dbraw/zinc/16/13/52/889161352.db2.gz HFAVSVKZOYWOBW-UWVGGRQHSA-N 0 3 283.332 -1.916 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnc(OC)nc1 ZINC001401571335 889161520 /nfs/dbraw/zinc/16/15/20/889161520.db2.gz SCWYEKDKBALEDT-VIFPVBQESA-N 0 3 297.315 -2.089 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)nn1 ZINC001401569708 889161632 /nfs/dbraw/zinc/16/16/32/889161632.db2.gz QHBRIBUVFHWRTR-JGVFFNPUSA-N 0 3 297.315 -1.961 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001401566123 889161638 /nfs/dbraw/zinc/16/16/38/889161638.db2.gz MCWSWEGQLSFCMX-MNOVXSKESA-N 0 3 292.339 -1.652 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1COc2ccccc21 ZINC001401571314 889161857 /nfs/dbraw/zinc/16/18/57/889161857.db2.gz JXKWEZIGXFFAJZ-GXSJLCMTSA-N 0 3 293.323 -1.285 20 0 CAADHN COc1cccc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001401565589 889162064 /nfs/dbraw/zinc/16/20/64/889162064.db2.gz JOUOBYBZDAGLJC-JTQLQIEISA-N 0 3 281.312 -1.139 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cn1nccc1C ZINC001401576756 889163704 /nfs/dbraw/zinc/16/37/04/889163704.db2.gz PVQYEMACMHDPIE-QWRGUYRKSA-N 0 3 297.359 -1.607 20 0 CAADHN Cc1cc(CNC[C@H](O)CNC(=O)c2ncn[nH]2)no1 ZINC001401577921 889163828 /nfs/dbraw/zinc/16/38/28/889163828.db2.gz KJOPDNDBPYRBGC-VIFPVBQESA-N 0 3 280.288 -1.018 20 0 CAADHN Cc1cc(CNC[C@H](O)CNC(=O)c2nc[nH]n2)no1 ZINC001401577921 889163831 /nfs/dbraw/zinc/16/38/31/889163831.db2.gz KJOPDNDBPYRBGC-VIFPVBQESA-N 0 3 280.288 -1.018 20 0 CAADHN Cn1ccc(CNC[C@@H](O)CNC(=O)c2nnc[nH]2)n1 ZINC001401576358 889164201 /nfs/dbraw/zinc/16/42/01/889164201.db2.gz IOTPPDHCPPHWHR-SECBINFHSA-N 0 3 279.304 -1.581 20 0 CAADHN Cn1ccc(CNC[C@@H](O)CNC(=O)c2ncn[nH]2)n1 ZINC001401576358 889164204 /nfs/dbraw/zinc/16/42/04/889164204.db2.gz IOTPPDHCPPHWHR-SECBINFHSA-N 0 3 279.304 -1.581 20 0 CAADHN Cc1nn(C)cc1CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001401582651 889164223 /nfs/dbraw/zinc/16/42/23/889164223.db2.gz OEUAWPMYKPLOBW-SNVBAGLBSA-N 0 3 294.315 -1.008 20 0 CAADHN Cn1ccc(CNC[C@H](O)CNC(=O)c2nnc[nH]2)n1 ZINC001401576361 889164693 /nfs/dbraw/zinc/16/46/93/889164693.db2.gz IOTPPDHCPPHWHR-VIFPVBQESA-N 0 3 279.304 -1.581 20 0 CAADHN Cn1ccc(CNC[C@H](O)CNC(=O)c2ncn[nH]2)n1 ZINC001401576361 889164697 /nfs/dbraw/zinc/16/46/97/889164697.db2.gz IOTPPDHCPPHWHR-VIFPVBQESA-N 0 3 279.304 -1.581 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccncn1)N1CCC1 ZINC001401582399 889165061 /nfs/dbraw/zinc/16/50/61/889165061.db2.gz NUPXQNJKBCKSDX-JTQLQIEISA-N 0 3 293.327 -1.611 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1cncn1C)C(N)=O ZINC001401585163 889165085 /nfs/dbraw/zinc/16/50/85/889165085.db2.gz OPMYCXIMVZONPJ-GHMZBOCLSA-N 0 3 297.359 -1.707 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)CCOC1 ZINC001401574548 889165174 /nfs/dbraw/zinc/16/51/74/889165174.db2.gz LEGJIDPSKJHSKL-SMDDNHRTSA-N 0 3 299.371 -1.242 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC12CCOCC2 ZINC001401577480 889165371 /nfs/dbraw/zinc/16/53/71/889165371.db2.gz MONQGLKJXLOHDC-WDEREUQCSA-N 0 3 299.371 -1.384 20 0 CAADHN CN(CC(=O)NC[C@H](O)CNCC(N)=O)c1ccccc1 ZINC001401579315 889166023 /nfs/dbraw/zinc/16/60/23/889166023.db2.gz XLBCMFKWWREFML-GFCCVEGCSA-N 0 3 294.355 -1.325 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001401613509 889166872 /nfs/dbraw/zinc/16/68/72/889166872.db2.gz VOQQLQGGVBXPPH-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN COCCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001401598137 889166956 /nfs/dbraw/zinc/16/69/56/889166956.db2.gz ABNYOPPDZFCRPT-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1cn(C)nn1)C(N)=O ZINC001401586326 889167077 /nfs/dbraw/zinc/16/70/77/889167077.db2.gz XXVFGCSUMNUFES-SCZZXKLOSA-N 0 3 298.347 -2.312 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001401597944 889167123 /nfs/dbraw/zinc/16/71/23/889167123.db2.gz BLOWFWPMXVMJJP-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)CNC(C)=O ZINC001401596351 889167192 /nfs/dbraw/zinc/16/71/92/889167192.db2.gz BZXUNZNVYGGPGG-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001401592001 889167231 /nfs/dbraw/zinc/16/72/31/889167231.db2.gz PQGKTAXZXLVOMV-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)c2cnon2)cn1 ZINC001401587537 889167462 /nfs/dbraw/zinc/16/74/62/889167462.db2.gz WGLHRERZHQJWHG-SECBINFHSA-N 0 3 280.288 -1.316 20 0 CAADHN CCC(=O)NCC(=O)N(CC)CCN[C@H]1CCNC1=O ZINC001401599795 889167495 /nfs/dbraw/zinc/16/74/95/889167495.db2.gz PRJNHAVHWXLLQN-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN COCCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001401598143 889167859 /nfs/dbraw/zinc/16/78/59/889167859.db2.gz ABNYOPPDZFCRPT-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)Cn1cnnn1 ZINC001401602351 889167878 /nfs/dbraw/zinc/16/78/78/889167878.db2.gz FPKWSQAKMHCMDM-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CN1CCCC1=O ZINC001401608300 889167924 /nfs/dbraw/zinc/16/79/24/889167924.db2.gz XZEYBLGOHVJIOT-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@H](OC)C(=O)N[C@H](C)CNCC(=O)NC(=O)NC ZINC001401609339 889167992 /nfs/dbraw/zinc/16/79/92/889167992.db2.gz WEUDLQOLQZXANG-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CCn1cnc(C(=O)NC[C@@H](O)CNCC(=O)NC)c1 ZINC001401591369 889168020 /nfs/dbraw/zinc/16/80/20/889168020.db2.gz YTFYHIFDLXKFKV-VIFPVBQESA-N 0 3 283.332 -1.671 20 0 CAADHN CCn1cnc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001401586950 889168044 /nfs/dbraw/zinc/16/80/44/889168044.db2.gz QNMLRHKGNXTMAB-DTWKUNHWSA-N 0 3 283.332 -1.543 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)c1nccnc1N ZINC001401595753 889168075 /nfs/dbraw/zinc/16/80/75/889168075.db2.gz GQKYOSHFMJAPNA-VIFPVBQESA-N 0 3 292.343 -1.001 20 0 CAADHN CCn1cnc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c1 ZINC001401586956 889168098 /nfs/dbraw/zinc/16/80/98/889168098.db2.gz QNMLRHKGNXTMAB-RKDXNWHRSA-N 0 3 283.332 -1.543 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001401604751 889168237 /nfs/dbraw/zinc/16/82/37/889168237.db2.gz QWTPYJQJLLSDED-RNCFNFMXSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)Cn1cnnn1 ZINC001401603790 889168497 /nfs/dbraw/zinc/16/84/97/889168497.db2.gz LFCGVUGIGQBYNG-BDAKNGLRSA-N 0 3 283.336 -1.756 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001401607261 889168544 /nfs/dbraw/zinc/16/85/44/889168544.db2.gz WXTNWFAWIMWYJT-YGRLFVJLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001401611987 889168639 /nfs/dbraw/zinc/16/86/39/889168639.db2.gz KORNKBXEUUDLBO-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001401592005 889168685 /nfs/dbraw/zinc/16/86/85/889168685.db2.gz PQGKTAXZXLVOMV-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H](C)NC(C)=O ZINC001401590309 889168732 /nfs/dbraw/zinc/16/87/32/889168732.db2.gz KFJZJLMPIBPGMT-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1nccnc1N ZINC001401611639 889168764 /nfs/dbraw/zinc/16/87/64/889168764.db2.gz JBKUKNWSDWZTOU-BDAKNGLRSA-N 0 3 292.343 -1.003 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001401610280 889168797 /nfs/dbraw/zinc/16/87/97/889168797.db2.gz NFBSVTZDSLMRID-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)CNC(=O)C1CC1 ZINC001401610519 889168825 /nfs/dbraw/zinc/16/88/25/889168825.db2.gz ATLOJYXRZFBVEP-SECBINFHSA-N 0 3 296.371 -1.115 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CCn1cncn1 ZINC001401601503 889169023 /nfs/dbraw/zinc/16/90/23/889169023.db2.gz BSXTTZORVNFZOW-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCCNC1=O ZINC001401598337 889168991 /nfs/dbraw/zinc/16/89/91/889168991.db2.gz MZBCOEJYVNUFJC-SCZZXKLOSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001401637442 889170191 /nfs/dbraw/zinc/17/01/91/889170191.db2.gz HJJHGFICCIMENN-HTQZYQBOSA-N 0 3 283.332 -1.032 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1cn(C)ccc1=O ZINC001401632659 889170334 /nfs/dbraw/zinc/17/03/34/889170334.db2.gz WYJGQARVWWDUOP-KOLCDFICSA-N 0 3 292.339 -1.018 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001401627490 889170688 /nfs/dbraw/zinc/17/06/88/889170688.db2.gz JEBBZPDLVWRVLI-WPRPVWTQSA-N 0 3 295.343 -1.933 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)Cc2nnc[nH]2)nn1 ZINC001401631766 889170709 /nfs/dbraw/zinc/17/07/09/889170709.db2.gz ORBCWNZHPNOOCQ-VIFPVBQESA-N 0 3 294.319 -2.257 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@@H](C)NC(N)=O ZINC001401620868 889170822 /nfs/dbraw/zinc/17/08/22/889170822.db2.gz VLTRNVBCRRLEGD-HTQZYQBOSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001401616427 889170934 /nfs/dbraw/zinc/17/09/34/889170934.db2.gz DROJBDSUGIUUNM-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001401620870 889170961 /nfs/dbraw/zinc/17/09/61/889170961.db2.gz VLTRNVBCRRLEGD-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)CC(N)=O ZINC001401637267 889170978 /nfs/dbraw/zinc/17/09/78/889170978.db2.gz GAMINODCYGJQQW-DTWKUNHWSA-N 0 3 272.349 -1.272 20 0 CAADHN Cn1nccc1C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001401638066 889171012 /nfs/dbraw/zinc/17/10/12/889171012.db2.gz TWLZZDJRVVWGDH-JTQLQIEISA-N 0 3 293.331 -1.652 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001401633024 889171018 /nfs/dbraw/zinc/17/10/18/889171018.db2.gz PLFXVWZMCYJHJY-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1ncc[nH]1 ZINC001401622496 889171038 /nfs/dbraw/zinc/17/10/38/889171038.db2.gz FVCKFLBNTZWUBF-SFYZADRCSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)Cc1cnn(C)c1 ZINC001401619302 889171137 /nfs/dbraw/zinc/17/11/37/889171137.db2.gz GXFKTXPABLAUOP-KOLCDFICSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)Cc1cnn(C)c1 ZINC001401619306 889171200 /nfs/dbraw/zinc/17/12/00/889171200.db2.gz GXFKTXPABLAUOP-MWLCHTKSSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)CN1CCOCC1 ZINC001401616499 889171234 /nfs/dbraw/zinc/17/12/34/889171234.db2.gz UOBJUWBWVKLCLE-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)Cc2nnc[nH]2)nn1 ZINC001401631764 889171359 /nfs/dbraw/zinc/17/13/59/889171359.db2.gz ORBCWNZHPNOOCQ-SECBINFHSA-N 0 3 294.319 -2.257 20 0 CAADHN Cc1nc([C@H](C)NC[C@@H](C)NC(=O)Cn2ncnn2)n[nH]1 ZINC001401616105 889171377 /nfs/dbraw/zinc/17/13/77/889171377.db2.gz CIOIQRIXFKCPNI-SFYZADRCSA-N 0 3 293.335 -1.045 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)CN1CCOCC1 ZINC001401616757 889171392 /nfs/dbraw/zinc/17/13/92/889171392.db2.gz UOBJUWBWVKLCLE-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001401630036 889171682 /nfs/dbraw/zinc/17/16/82/889171682.db2.gz AJIJNTZFMZKPOG-MRVPVSSYSA-N 0 3 279.362 -1.739 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001401627479 889171787 /nfs/dbraw/zinc/17/17/87/889171787.db2.gz JEBBZPDLVWRVLI-SCZZXKLOSA-N 0 3 295.343 -1.933 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001401617868 889171906 /nfs/dbraw/zinc/17/19/06/889171906.db2.gz BYVNPLNZEIYKJR-HRDYMLBCSA-N 0 3 270.333 -1.506 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)Cn1cncn1 ZINC001401660322 889173308 /nfs/dbraw/zinc/17/33/08/889173308.db2.gz DDDBJTBYKQUURC-SNVBAGLBSA-N 0 3 282.348 -1.103 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CCNC(=O)NC ZINC001401681995 889173780 /nfs/dbraw/zinc/17/37/80/889173780.db2.gz NVYGAMMOVZILRB-VIFPVBQESA-N 0 3 287.364 -1.464 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)C1=COCCO1 ZINC001401666998 889174218 /nfs/dbraw/zinc/17/42/18/889174218.db2.gz FPEKFKTYEYEETL-QMMMGPOBSA-N 0 3 297.315 -1.409 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001401640569 889174266 /nfs/dbraw/zinc/17/42/66/889174266.db2.gz QXBXUGUPDMDSPX-SFYZADRCSA-N 0 3 280.332 -1.196 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CCc1cnn(C)n1 ZINC001401649511 889174626 /nfs/dbraw/zinc/17/46/26/889174626.db2.gz XHUNEGMELSQTCP-SNVBAGLBSA-N 0 3 296.375 -1.070 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cnn(C)c1 ZINC001401665553 889174669 /nfs/dbraw/zinc/17/46/69/889174669.db2.gz CDQMNHYWLLIQHF-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001401669588 889174697 /nfs/dbraw/zinc/17/46/97/889174697.db2.gz OOSUUUIDLMPHSM-APPZFPTMSA-N 0 3 293.327 -1.290 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001401671013 889174715 /nfs/dbraw/zinc/17/47/15/889174715.db2.gz LGJXJMBWGDDKEE-ZETCQYMHSA-N 0 3 287.320 -2.246 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cncnc1 ZINC001401678553 889174731 /nfs/dbraw/zinc/17/47/31/889174731.db2.gz ZSRJEBNXOJORJT-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H](C)NC(N)=O ZINC001401678544 889174869 /nfs/dbraw/zinc/17/48/69/889174869.db2.gz ZGVAHYMOPROAQU-YUMQZZPRSA-N 0 3 285.348 -1.584 20 0 CAADHN Cc1nnc2n1C[C@H](C(=O)N[C@H](C)CNCC(N)=O)CC2 ZINC001401669747 889175060 /nfs/dbraw/zinc/17/50/60/889175060.db2.gz MCJZEFWFFVDOIZ-PSASIEDQSA-N 0 3 294.359 -1.271 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)Cc1cnoc1 ZINC001401641441 889175323 /nfs/dbraw/zinc/17/53/23/889175323.db2.gz BKGXMNSFTWZOOX-MRVPVSSYSA-N 0 3 294.315 -1.067 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001401680222 889175349 /nfs/dbraw/zinc/17/53/49/889175349.db2.gz CHFURQKOHBRLTI-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)Cn1cnnn1 ZINC001401668735 889175520 /nfs/dbraw/zinc/17/55/20/889175520.db2.gz LPPLNOSYTBWYHQ-VIFPVBQESA-N 0 3 295.347 -1.706 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN1CCOCC1 ZINC001401675320 889176142 /nfs/dbraw/zinc/17/61/42/889176142.db2.gz ILGWKVBXRAUOPB-JTQLQIEISA-N 0 3 272.349 -1.841 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CN(C)C(C)=O ZINC001401675169 889175991 /nfs/dbraw/zinc/17/59/91/889175991.db2.gz SRKKFIOITVHFJY-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1cccn(C)c1=O ZINC001401657119 889176235 /nfs/dbraw/zinc/17/62/35/889176235.db2.gz AEGMHOVMAUYYLR-MWLCHTKSSA-N 0 3 292.339 -1.018 20 0 CAADHN CCn1ncc(C(=O)N[C@@H](C)CN[C@H]2CCNC2=O)n1 ZINC001401680170 889176438 /nfs/dbraw/zinc/17/64/38/889176438.db2.gz BPZDWKZBMBSMTM-IUCAKERBSA-N 0 3 280.332 -1.106 20 0 CAADHN CCCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001401703557 889177503 /nfs/dbraw/zinc/17/75/03/889177503.db2.gz WDJBJKYRCYYBNR-DTWKUNHWSA-N 0 3 297.363 -1.167 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001401684371 889177701 /nfs/dbraw/zinc/17/77/01/889177701.db2.gz GBCHFDBFDQLFQK-JGVFFNPUSA-N 0 3 272.305 -1.675 20 0 CAADHN CC(C)c1nnnn1CC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001401710946 889177810 /nfs/dbraw/zinc/17/78/10/889177810.db2.gz FBBOIHZZPKVFMJ-DTWKUNHWSA-N 0 3 297.363 -1.235 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001401688310 889178532 /nfs/dbraw/zinc/17/85/32/889178532.db2.gz YSDHKDDIJRQBHN-CBAPKCEASA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)Cc1cncn1C ZINC001401718593 889178566 /nfs/dbraw/zinc/17/85/66/889178566.db2.gz QXJPYLVZZYTAOU-GXSJLCMTSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)CCn1cnnn1 ZINC001401709744 889178766 /nfs/dbraw/zinc/17/87/66/889178766.db2.gz IJNWADFUAHLKEL-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001401703660 889178983 /nfs/dbraw/zinc/17/89/83/889178983.db2.gz XNBPZFDJTOBCJC-WPRPVWTQSA-N 0 3 297.359 -1.617 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001401698168 889179127 /nfs/dbraw/zinc/17/91/27/889179127.db2.gz AUBWYERWXWAESE-YUMQZZPRSA-N 0 3 281.316 -1.258 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001401706026 889179162 /nfs/dbraw/zinc/17/91/62/889179162.db2.gz OKUMONKFSXPLRE-ZETCQYMHSA-N 0 3 297.315 -2.723 20 0 CAADHN CCN1CC[C@@H](NC[C@H](C)NC(=O)c2nnn(C)n2)C1=O ZINC001401701846 889179339 /nfs/dbraw/zinc/17/93/39/889179339.db2.gz NTSKMLMLCZEZPR-DTWKUNHWSA-N 0 3 295.347 -1.461 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001401709193 889179393 /nfs/dbraw/zinc/17/93/93/889179393.db2.gz TWFZICUEXSMWAO-AEJSXWLSSA-N 0 3 284.360 -1.273 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CN(C)C(=O)C1CC1 ZINC001401683637 889179472 /nfs/dbraw/zinc/17/94/72/889179472.db2.gz VRPDJKXMUAWINR-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccnc2c1CC(=O)N2 ZINC001401694661 889179717 /nfs/dbraw/zinc/17/97/17/889179717.db2.gz VICXAMXJUYUIRA-ZETCQYMHSA-N 0 3 291.311 -1.231 20 0 CAADHN Cc1nc(C)c(CC(=O)N[C@@H](C)C[NH2+]CC(N)=O)c(=O)[n-]1 ZINC001401718840 889179792 /nfs/dbraw/zinc/17/97/92/889179792.db2.gz BIEWIIRWVJNPLW-ZETCQYMHSA-N 0 3 295.343 -1.079 20 0 CAADHN Cc1nc(C)c(CC(=O)N[C@@H](C)CNCC(N)=O)c(=O)[nH]1 ZINC001401718840 889179796 /nfs/dbraw/zinc/17/97/96/889179796.db2.gz BIEWIIRWVJNPLW-ZETCQYMHSA-N 0 3 295.343 -1.079 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001401702366 889179892 /nfs/dbraw/zinc/17/98/92/889179892.db2.gz NNEMSDNMBRYUDW-BQBZGAKWSA-N 0 3 297.319 -2.616 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001401689858 889179946 /nfs/dbraw/zinc/17/99/46/889179946.db2.gz MMYWWKROXOSEQX-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)Cn1cncn1 ZINC001401719589 889180096 /nfs/dbraw/zinc/18/00/96/889180096.db2.gz AAPSUHUWKLRISC-UWVGGRQHSA-N 0 3 280.332 -1.349 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)[C@@H]2CNC(=O)N2)n[nH]1 ZINC001401703084 889180192 /nfs/dbraw/zinc/18/01/92/889180192.db2.gz TWBVAFMBXQKKQQ-XPUUQOCRSA-N 0 3 281.320 -1.611 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)Cn1cc(C2CC2)nn1 ZINC001401685256 889180216 /nfs/dbraw/zinc/18/02/16/889180216.db2.gz KEVGXDIFEKOCND-VIFPVBQESA-N 0 3 294.359 -1.004 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccc(C(N)=O)cn1 ZINC001401720547 889180490 /nfs/dbraw/zinc/18/04/90/889180490.db2.gz LWUNYIPLTIIWKM-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCc1cnn(C)n1)C(N)=O ZINC001401701265 889180507 /nfs/dbraw/zinc/18/05/07/889180507.db2.gz AHBMIPMNKZHGPM-DTWKUNHWSA-N 0 3 282.348 -1.284 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CN1CCCNC1=O ZINC001401750813 889181599 /nfs/dbraw/zinc/18/15/99/889181599.db2.gz IYLDQTGMTOXYAE-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001401760624 889181921 /nfs/dbraw/zinc/18/19/21/889181921.db2.gz WVOHDKMGYGIXLM-SECBINFHSA-N 0 3 298.347 -1.540 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001401760616 889182096 /nfs/dbraw/zinc/18/20/96/889182096.db2.gz MXNXXNQSWCPJRZ-ZJUUUORDSA-N 0 3 285.348 -1.128 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001401730407 889182340 /nfs/dbraw/zinc/18/23/40/889182340.db2.gz VFOXZGLNKYVXGC-CMPLNLGQSA-N 0 3 289.376 -1.092 20 0 CAADHN C[C@H](CN(C)CC(=O)NC(N)=O)NC(=O)Cc1cnc[nH]1 ZINC001401789278 889182820 /nfs/dbraw/zinc/18/28/20/889182820.db2.gz ZYDNQUXHHXBRAS-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001401760647 889183002 /nfs/dbraw/zinc/18/30/02/889183002.db2.gz WVOHDKMGYGIXLM-VIFPVBQESA-N 0 3 298.347 -1.540 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)c1cnnn1C ZINC001401744970 889183646 /nfs/dbraw/zinc/18/36/46/889183646.db2.gz DAYATOAGRGXAHG-VHSXEESVSA-N 0 3 285.348 -1.128 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)c1cnnn1C ZINC001401744971 889184123 /nfs/dbraw/zinc/18/41/23/889184123.db2.gz DAYATOAGRGXAHG-ZJUUUORDSA-N 0 3 285.348 -1.128 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)C[C@@H](C)NC(N)=O)C1CC1 ZINC001401844004 889185637 /nfs/dbraw/zinc/18/56/37/889185637.db2.gz GJOATTIFRVQSJV-PSASIEDQSA-N 0 3 299.375 -1.336 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001401849013 889185618 /nfs/dbraw/zinc/18/56/18/889185618.db2.gz MSZRDRVYMPMHRI-VIFPVBQESA-N 0 3 293.327 -1.386 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CN1CCC(=O)NC1=O ZINC001401813862 889186036 /nfs/dbraw/zinc/18/60/36/889186036.db2.gz UQXWJASEMMFZHY-SECBINFHSA-N 0 3 286.332 -1.643 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001401842407 889186372 /nfs/dbraw/zinc/18/63/72/889186372.db2.gz OCWDNQAYELICKA-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001401827850 889186493 /nfs/dbraw/zinc/18/64/93/889186493.db2.gz BHUSWLINRGHADJ-WDEREUQCSA-N 0 3 284.360 -1.713 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)c1cc2n(n1)CCO2)C1CC1 ZINC001401844456 889186626 /nfs/dbraw/zinc/18/66/26/889186626.db2.gz OLMFXQSZDSNVEF-JTQLQIEISA-N 0 3 293.327 -1.141 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H](CNCC(N)=O)C2CC2)c1=O ZINC001401845108 889186903 /nfs/dbraw/zinc/18/69/03/889186903.db2.gz CMLWNMCQDBMXPK-VIFPVBQESA-N 0 3 296.331 -2.449 20 0 CAADHN Cn1ncc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)c1N ZINC001401837471 889186932 /nfs/dbraw/zinc/18/69/32/889186932.db2.gz GBHQBJOTPOXGCO-VIFPVBQESA-N 0 3 280.332 -1.414 20 0 CAADHN Cn1ncc(C(=O)N[C@H](CNCC(N)=O)C2CC2)c1N ZINC001401837438 889187038 /nfs/dbraw/zinc/18/70/38/889187038.db2.gz GBHQBJOTPOXGCO-SECBINFHSA-N 0 3 280.332 -1.414 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1CC1 ZINC001401838742 889187237 /nfs/dbraw/zinc/18/72/37/889187237.db2.gz CXXCFLJWLHYOCH-QWRGUYRKSA-N 0 3 296.371 -1.305 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001401829690 889187340 /nfs/dbraw/zinc/18/73/40/889187340.db2.gz JEPGYYUSJIOZGL-UWVGGRQHSA-N 0 3 282.344 -1.518 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001401842447 889187426 /nfs/dbraw/zinc/18/74/26/889187426.db2.gz OONHFXWTOVCOPU-WDEREUQCSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001401849006 889187452 /nfs/dbraw/zinc/18/74/52/889187452.db2.gz MSZRDRVYMPMHRI-SECBINFHSA-N 0 3 293.327 -1.386 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001401839773 889187573 /nfs/dbraw/zinc/18/75/73/889187573.db2.gz GYWJDIWECJPTBM-APPZFPTMSA-N 0 3 285.348 -1.726 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CCn1ccnn1)C1CC1 ZINC001401836580 889187597 /nfs/dbraw/zinc/18/75/97/889187597.db2.gz DYXRKTCSRVYAPT-LLVKDONJSA-N 0 3 294.359 -1.101 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](CN[C@@H](C)C(N)=O)C2CC2)C1 ZINC001401836981 889187771 /nfs/dbraw/zinc/18/77/71/889187771.db2.gz OMPFNPYEYDPCBS-UFBFGSQYSA-N 0 3 296.371 -1.177 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CCn1ccnn1)C1CC1 ZINC001401840289 889187798 /nfs/dbraw/zinc/18/77/98/889187798.db2.gz JOHSDMRQTKZUGI-SNVBAGLBSA-N 0 3 280.332 -1.362 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)C[C@H](C)NC(N)=O)C1CC1 ZINC001401844020 889187825 /nfs/dbraw/zinc/18/78/25/889187825.db2.gz GJOATTIFRVQSJV-WPRPVWTQSA-N 0 3 299.375 -1.336 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CN1CCC(=O)NC1=O ZINC001401813888 889187843 /nfs/dbraw/zinc/18/78/43/889187843.db2.gz UQXWJASEMMFZHY-VIFPVBQESA-N 0 3 286.332 -1.643 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CCn1ccnn1)C1CC1 ZINC001401840283 889187860 /nfs/dbraw/zinc/18/78/60/889187860.db2.gz JOHSDMRQTKZUGI-JTQLQIEISA-N 0 3 280.332 -1.362 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](CN[C@H](C)C(N)=O)C2CC2)C1 ZINC001401836963 889187868 /nfs/dbraw/zinc/18/78/68/889187868.db2.gz OMPFNPYEYDPCBS-PELKAZGASA-N 0 3 296.371 -1.177 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@H]1CCN1CC1CC1 ZINC001401895539 889190012 /nfs/dbraw/zinc/19/00/12/889190012.db2.gz CZOJRHQPLNFLME-SNVBAGLBSA-N 0 3 290.389 -1.359 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001401862842 889190528 /nfs/dbraw/zinc/19/05/28/889190528.db2.gz DJNOCPIYBZBLJV-QMMMGPOBSA-N 0 3 271.321 -1.986 20 0 CAADHN COC[C@H](O)CN1CC[C@H]1CNC(=O)CCc1nnc[nH]1 ZINC001401879563 889190730 /nfs/dbraw/zinc/19/07/30/889190730.db2.gz RXIHZZBQMMNANB-WDEREUQCSA-N 0 3 297.359 -1.065 20 0 CAADHN O=C(NCC1(N[C@H]2CCCNC2=O)CC1)[C@H]1COCCO1 ZINC001401919636 889194688 /nfs/dbraw/zinc/19/46/88/889194688.db2.gz MGNSRUMYGPAIMZ-WDEREUQCSA-N 0 3 297.355 -1.081 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001401945700 889195892 /nfs/dbraw/zinc/19/58/92/889195892.db2.gz RNOINUXFOSTXMK-WCBMZHEXSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)Cn1ncnn1)C(N)=O ZINC001402039573 889199335 /nfs/dbraw/zinc/19/93/35/889199335.db2.gz ADBYOSSBLYLCOG-IUCAKERBSA-N 0 3 281.320 -1.873 20 0 CAADHN Cc1nnc(CC(=O)N2CCC[C@H]2CNCC(N)=O)o1 ZINC001402063195 889199362 /nfs/dbraw/zinc/19/93/62/889199362.db2.gz NDASXXYJEHOIOA-VIFPVBQESA-N 0 3 281.316 -1.014 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001402052040 889200101 /nfs/dbraw/zinc/20/01/01/889200101.db2.gz LXUYCWGHKYNPNN-VIFPVBQESA-N 0 3 295.347 -1.508 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCC[C@H]2CN[C@@H](C)C(N)=O)C1 ZINC001402068809 889200253 /nfs/dbraw/zinc/20/02/53/889200253.db2.gz UXPNFSHGWBLIPR-CABZTGNLSA-N 0 3 296.371 -1.081 20 0 CAADHN COC[C@H](O)CN1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001402119946 889200340 /nfs/dbraw/zinc/20/03/40/889200340.db2.gz BHQVKBWLLRDNGJ-JTNHKYCSSA-N 0 3 299.371 -1.147 20 0 CAADHN CNC(=O)NCCC(=O)N1CCC[C@H]1CN[C@H](C)C(N)=O ZINC001402056318 889201015 /nfs/dbraw/zinc/20/10/15/889201015.db2.gz GHABFLKJTRCSOV-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN Cc1nnc(CC(=O)N2CCC[C@@H]2CNCC(N)=O)o1 ZINC001402063188 889201065 /nfs/dbraw/zinc/20/10/65/889201065.db2.gz NDASXXYJEHOIOA-SECBINFHSA-N 0 3 281.316 -1.014 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001402052032 889201126 /nfs/dbraw/zinc/20/11/26/889201126.db2.gz LXUYCWGHKYNPNN-SECBINFHSA-N 0 3 295.347 -1.508 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001402043060 889201567 /nfs/dbraw/zinc/20/15/67/889201567.db2.gz FGMJTRKDPIITQV-QWRGUYRKSA-N 0 3 282.344 -1.408 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001402043065 889201869 /nfs/dbraw/zinc/20/18/69/889201869.db2.gz FGMJTRKDPIITQV-WDEREUQCSA-N 0 3 282.344 -1.408 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@H]2CNCC(N)=O)n(C)c1=O ZINC001402082508 889201890 /nfs/dbraw/zinc/20/18/90/889201890.db2.gz UUHAFXTYGXYAOX-VIFPVBQESA-N 0 3 295.343 -1.597 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCN(C[C@H](O)COC)C1 ZINC001402170117 889204069 /nfs/dbraw/zinc/20/40/69/889204069.db2.gz CQPGNNLUNVGFFM-ZJUUUORDSA-N 0 3 288.348 -1.887 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H]1CCN(CCO)C1 ZINC001402175843 889205681 /nfs/dbraw/zinc/20/56/81/889205681.db2.gz RAYNTCQMVPKLHD-JTQLQIEISA-N 0 3 273.333 -1.726 20 0 CAADHN COC[C@@H](O)CN1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001402140510 889206709 /nfs/dbraw/zinc/20/67/09/889206709.db2.gz PVUKQLXRTSJDIC-CMPLNLGQSA-N 0 3 298.347 -1.739 20 0 CAADHN CS(=O)(=O)NCCC(=O)N[C@H]1CCN(CCCO)C1 ZINC001402174372 889207424 /nfs/dbraw/zinc/20/74/24/889207424.db2.gz NMDJIZYPWIZZKA-JTQLQIEISA-N 0 3 293.389 -1.501 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001402133932 889207896 /nfs/dbraw/zinc/20/78/96/889207896.db2.gz VDZJLEDPDVMVEL-NSHDSACASA-N 0 3 293.389 -1.501 20 0 CAADHN Cc1ccc(C(=O)NC[C@@]2(O)CCN(CCO)C2)nn1 ZINC001402267401 889208795 /nfs/dbraw/zinc/20/87/95/889208795.db2.gz KBKRVKUVVMIRRA-ZDUSSCGKSA-N 0 3 280.328 -1.056 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2ccnnc2)CCOCC1 ZINC001402248887 889209358 /nfs/dbraw/zinc/20/93/58/889209358.db2.gz UBTDORKQPYIYLF-UHFFFAOYSA-N 0 3 293.327 -1.170 20 0 CAADHN O=C(C[C@@H]1CCC(=O)NC1)NC[C@]1(O)CCN(CCO)C1 ZINC001402265810 889209840 /nfs/dbraw/zinc/20/98/40/889209840.db2.gz HWDXLQOQEPNLQR-SMDDNHRTSA-N 0 3 299.371 -1.552 20 0 CAADHN Cc1ccc(C(=O)NC[C@]2(O)CCN(CCO)C2)nn1 ZINC001402267343 889211613 /nfs/dbraw/zinc/21/16/13/889211613.db2.gz KBKRVKUVVMIRRA-CYBMUJFWSA-N 0 3 280.328 -1.056 20 0 CAADHN Cn1ncc(C(=O)NC[C@@]2(O)CCN(CCO)C2)c1N ZINC001402269179 889211833 /nfs/dbraw/zinc/21/18/33/889211833.db2.gz RVRGZBSBFDDIJH-LBPRGKRZSA-N 0 3 283.332 -1.839 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001402254222 889212432 /nfs/dbraw/zinc/21/24/32/889212432.db2.gz BSHQXBPXNYAZDU-CQSZACIVSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1c[nH]c(=O)cn1 ZINC001402257612 889212561 /nfs/dbraw/zinc/21/25/61/889212561.db2.gz BEKNKPPRNSZIGA-LBPRGKRZSA-N 0 3 282.300 -2.071 20 0 CAADHN COCCC(=O)NC[C@@]1(O)CCN(CCn2cncn2)C1 ZINC001402249263 889212697 /nfs/dbraw/zinc/21/26/97/889212697.db2.gz PIUARJITZGKQGJ-ZDUSSCGKSA-N 0 3 297.359 -1.132 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001402272597 889216014 /nfs/dbraw/zinc/21/60/14/889216014.db2.gz PMWFEEILGYUJIZ-LLVKDONJSA-N 0 3 284.320 -2.128 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001402288482 889216488 /nfs/dbraw/zinc/21/64/88/889216488.db2.gz MCNOZIVWFXBLIH-CYBMUJFWSA-N 0 3 287.360 -1.554 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001402274112 889217572 /nfs/dbraw/zinc/21/75/72/889217572.db2.gz XOJSDQQLARSVRG-CYBMUJFWSA-N 0 3 297.359 -1.132 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)CCn2ccnn2)C1 ZINC001402274114 889218624 /nfs/dbraw/zinc/21/86/24/889218624.db2.gz XOJSDQQLARSVRG-ZDUSSCGKSA-N 0 3 297.359 -1.132 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001402302578 889220280 /nfs/dbraw/zinc/22/02/80/889220280.db2.gz BRWLRHRVQGNOOS-WDEREUQCSA-N 0 3 285.344 -1.238 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@]1(O)CCN(CC(N)=O)C1 ZINC001402308965 889220541 /nfs/dbraw/zinc/22/05/41/889220541.db2.gz HSESYNVDNRZQFF-ZDUSSCGKSA-N 0 3 286.376 -1.635 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)CS(C)(=O)=O)C1CC1)C(N)=O ZINC001402292465 889220866 /nfs/dbraw/zinc/22/08/66/889220866.db2.gz NWUCFWANAJYIPB-VXNVDRBHSA-N 0 3 291.373 -1.611 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001402302526 889221140 /nfs/dbraw/zinc/22/11/40/889221140.db2.gz BRWLRHRVQGNOOS-GHMZBOCLSA-N 0 3 285.344 -1.238 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)c1cnn(C)c1N)C1CC1)C(N)=O ZINC001402294622 889221555 /nfs/dbraw/zinc/22/15/55/889221555.db2.gz SOKKPLYSEJUOAD-XCBNKYQSSA-N 0 3 294.359 -1.026 20 0 CAADHN C[C@H](N[C@H](CNC(=O)c1cn(C)nn1)C1CC1)C(N)=O ZINC001402292554 889221737 /nfs/dbraw/zinc/22/17/37/889221737.db2.gz RTRZKDONSUTHKY-IONNQARKSA-N 0 3 280.332 -1.213 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)CS(C)(=O)=O)C1CC1)C(N)=O ZINC001402292459 889222157 /nfs/dbraw/zinc/22/21/57/889222157.db2.gz NWUCFWANAJYIPB-CBAPKCEASA-N 0 3 291.373 -1.611 20 0 CAADHN COCc1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)no1 ZINC001402294531 889223200 /nfs/dbraw/zinc/22/32/00/889223200.db2.gz QBOCAJCBKXDLNN-CYBMUJFWSA-N 0 3 299.327 -1.020 20 0 CAADHN CN1CC[C@@H](CC(=O)NC[C@H](NCC(N)=O)C2CC2)C1=O ZINC001402317563 889224241 /nfs/dbraw/zinc/22/42/41/889224241.db2.gz QAABNHSWTLXHBI-QWRGUYRKSA-N 0 3 296.371 -1.176 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001402317291 889224748 /nfs/dbraw/zinc/22/47/48/889224748.db2.gz KXNCJNDOLFXAGS-RYUDHWBXSA-N 0 3 298.387 -1.323 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001402325971 889225056 /nfs/dbraw/zinc/22/50/56/889225056.db2.gz YWNXPSIZJYUMAD-ZDUSSCGKSA-N 0 3 282.344 -1.263 20 0 CAADHN Cc1nccn1CC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001402325967 889227172 /nfs/dbraw/zinc/22/71/72/889227172.db2.gz YWNXPSIZJYUMAD-CYBMUJFWSA-N 0 3 282.344 -1.263 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001402317277 889227346 /nfs/dbraw/zinc/22/73/46/889227346.db2.gz KXNCJNDOLFXAGS-NEPJUHHUSA-N 0 3 298.387 -1.323 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001402324502 889227406 /nfs/dbraw/zinc/22/74/06/889227406.db2.gz DCUBPIUVBHJHAP-SECBINFHSA-N 0 3 295.343 -1.030 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)c1nnn(C)n1)C1CC1 ZINC001402331481 889230316 /nfs/dbraw/zinc/23/03/16/889230316.db2.gz DVDWEZSBJBCION-VIFPVBQESA-N 0 3 295.347 -1.556 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CCNC(N)=O)C1CC1 ZINC001402365392 889231626 /nfs/dbraw/zinc/23/16/26/889231626.db2.gz ABWHDXNVZFJQHT-SECBINFHSA-N 0 3 285.348 -1.725 20 0 CAADHN CC[C@@H](C(=O)NCC1(O)CN(CC(N)=O)C1)N(C)C ZINC001402355955 889232531 /nfs/dbraw/zinc/23/25/31/889232531.db2.gz QCTMDRZWBFTDCE-VIFPVBQESA-N 0 3 272.349 -2.025 20 0 CAADHN CCCN(C)CC(=O)NCC1(O)CN(CC(=O)NC)C1 ZINC001402369696 889237753 /nfs/dbraw/zinc/23/77/53/889237753.db2.gz KKBJWSCOBWLCSZ-UHFFFAOYSA-N 0 3 286.376 -1.763 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC)C1 ZINC001402429198 889237413 /nfs/dbraw/zinc/23/74/13/889237413.db2.gz DKORWLAKQYQDQG-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN Cc1nc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)co1 ZINC001402440051 889237620 /nfs/dbraw/zinc/23/76/20/889237620.db2.gz ARMWVXVCLVXUBY-QMMMGPOBSA-N 0 3 295.299 -1.018 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001402429278 889238131 /nfs/dbraw/zinc/23/81/31/889238131.db2.gz DQPLDKFCKSBUHM-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CC(C)[C@@H](C(=O)NCC1(O)CN(CCO)C1)N(C)C ZINC001402367565 889238661 /nfs/dbraw/zinc/23/86/61/889238661.db2.gz FNCSDFJTSDDEON-NSHDSACASA-N 0 3 273.377 -1.272 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1)C(=O)N(C)C ZINC001402444905 889238885 /nfs/dbraw/zinc/23/88/85/889238885.db2.gz ZFELNFJHVQLPOQ-UTLUCORTSA-N 0 3 299.375 -1.290 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001402436638 889239023 /nfs/dbraw/zinc/23/90/23/889239023.db2.gz OIHABKDAXKPDAQ-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@]1(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)CCOC1 ZINC001402450650 889239864 /nfs/dbraw/zinc/23/98/64/889239864.db2.gz GZJJTOLYKCEBJB-ZANVPECISA-N 0 3 298.343 -1.202 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cncnc1)C(N)=O ZINC001402459980 889239947 /nfs/dbraw/zinc/23/99/47/889239947.db2.gz DCGXAOXQYACGRH-LLVKDONJSA-N 0 3 295.343 -1.235 20 0 CAADHN Cc1cnoc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001402477637 889240024 /nfs/dbraw/zinc/24/00/24/889240024.db2.gz VLBDFQIAQAHMST-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CCNC(N)=O)C1)C(N)=O ZINC001402459573 889240838 /nfs/dbraw/zinc/24/08/38/889240838.db2.gz PIHKDAAIHDNICP-SFYZADRCSA-N 0 3 271.321 -1.891 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)c2nc[nH]n2)C1=O ZINC001402469255 889242731 /nfs/dbraw/zinc/24/27/31/889242731.db2.gz IHWKUKXWJRNINO-SECBINFHSA-N 0 3 296.331 -1.941 20 0 CAADHN CN1CC[C@@H]([NH2+]CCN(CCO)C(=O)c2nc[n-]n2)C1=O ZINC001402469255 889242745 /nfs/dbraw/zinc/24/27/45/889242745.db2.gz IHWKUKXWJRNINO-SECBINFHSA-N 0 3 296.331 -1.941 20 0 CAADHN C[C@H](O)CN1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001402457352 889243105 /nfs/dbraw/zinc/24/31/05/889243105.db2.gz YPPTUPVSLQTWCZ-JQWIXIFHSA-N 0 3 298.347 -2.003 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cnon1)C(N)=O ZINC001402471860 889243226 /nfs/dbraw/zinc/24/32/26/889243226.db2.gz NSKBYXNYGZNWRP-MRVPVSSYSA-N 0 3 285.304 -1.642 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@@H]1CCCCO1)C(N)=O ZINC001402470425 889243253 /nfs/dbraw/zinc/24/32/53/889243253.db2.gz UCBUPBWUIIPCHM-QWRGUYRKSA-N 0 3 287.360 -1.160 20 0 CAADHN C[C@H](O)CN1CCC[C@@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001402457350 889243283 /nfs/dbraw/zinc/24/32/83/889243283.db2.gz YPPTUPVSLQTWCZ-CMPLNLGQSA-N 0 3 298.347 -2.003 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCN(CCO)C(C)=O ZINC001402536922 889245266 /nfs/dbraw/zinc/24/52/66/889245266.db2.gz GUIJMULITMDYAN-MRVPVSSYSA-N 0 3 274.321 -1.739 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001402533317 889245685 /nfs/dbraw/zinc/24/56/85/889245685.db2.gz LCCJXQLLNUHKQH-RKDXNWHRSA-N 0 3 283.332 -1.876 20 0 CAADHN COC[C@@H](C)C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001402540487 889245862 /nfs/dbraw/zinc/24/58/62/889245862.db2.gz HSYYWRJKWBZQQF-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001402497018 889246102 /nfs/dbraw/zinc/24/61/02/889246102.db2.gz VESFWPIXOHULBU-ZKCHVHJHSA-N 0 3 279.300 -1.221 20 0 CAADHN CCCN(C)CC(=O)NC[C@H]1COCCN1CC(N)=O ZINC001402525846 889247442 /nfs/dbraw/zinc/24/74/42/889247442.db2.gz HCOBYMYWFLDQIZ-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2nnc[n-]2)C1 ZINC001402572038 889248599 /nfs/dbraw/zinc/24/85/99/889248599.db2.gz VVUMLTQJFBAGKJ-DTORHVGOSA-N 0 3 280.332 -1.280 20 0 CAADHN COCCC(=O)N1CCO[C@H](CNCC(=O)N(C)C)C1 ZINC001402586351 889249641 /nfs/dbraw/zinc/24/96/41/889249641.db2.gz DNPWZEPFKJRFNE-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN COC[C@H](C)C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001402540507 889250142 /nfs/dbraw/zinc/25/01/42/889250142.db2.gz HSYYWRJKWBZQQF-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN Cc1nc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)c[nH]1 ZINC001402553273 889250224 /nfs/dbraw/zinc/25/02/24/889250224.db2.gz OZNLGMXGTXPJOR-SNVBAGLBSA-N 0 3 295.343 -1.369 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H]1CN(C(=O)C2CC2)CCO1 ZINC001402590182 889250420 /nfs/dbraw/zinc/25/04/20/889250420.db2.gz FKCUQPSOXKSZEM-SNVBAGLBSA-N 0 3 298.343 -1.331 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 ZINC001402570907 889250474 /nfs/dbraw/zinc/25/04/74/889250474.db2.gz DSCCSMJOKLHNKK-ZJUUUORDSA-N 0 3 296.371 -1.128 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001402609352 889251950 /nfs/dbraw/zinc/25/19/50/889251950.db2.gz QRZPEVGVTZJIKI-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001402600215 889252019 /nfs/dbraw/zinc/25/20/19/889252019.db2.gz NPKODZQNQBJOLP-VIFPVBQESA-N 0 3 296.331 -1.677 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001402600215 889252037 /nfs/dbraw/zinc/25/20/37/889252037.db2.gz NPKODZQNQBJOLP-VIFPVBQESA-N 0 3 296.331 -1.677 20 0 CAADHN COCC(=O)N1CCO[C@H](CNCC(=O)N2CCC2)C1 ZINC001402597593 889252073 /nfs/dbraw/zinc/25/20/73/889252073.db2.gz WYTZHZSXBLDNBS-LLVKDONJSA-N 0 3 285.344 -1.318 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001402601263 889252250 /nfs/dbraw/zinc/25/22/50/889252250.db2.gz MDVYENFZPNEWQG-VIFPVBQESA-N 0 3 297.319 -2.764 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cocn2)CCO1 ZINC001402619821 889252484 /nfs/dbraw/zinc/25/24/84/889252484.db2.gz ZXLFOCSKKHWFOC-VIFPVBQESA-N 0 3 282.300 -1.149 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1)C(N)=O ZINC001402604158 889252531 /nfs/dbraw/zinc/25/25/31/889252531.db2.gz PTQKLCJWVDBZEA-UWVGGRQHSA-N 0 3 295.343 -1.357 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CCc2ccon2)CCO1 ZINC001402613853 889252665 /nfs/dbraw/zinc/25/26/65/889252665.db2.gz WKBKVOSAWCJBKT-NSHDSACASA-N 0 3 296.327 -1.091 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001402609360 889253310 /nfs/dbraw/zinc/25/33/10/889253310.db2.gz QRZPEVGVTZJIKI-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1)C(N)=O ZINC001402604154 889253380 /nfs/dbraw/zinc/25/33/80/889253380.db2.gz PTQKLCJWVDBZEA-NXEZZACHSA-N 0 3 295.343 -1.357 20 0 CAADHN COCC(=O)N1CCO[C@@H](CN[C@H](C)C(=O)N(C)C)C1 ZINC001402596958 889253428 /nfs/dbraw/zinc/25/34/28/889253428.db2.gz UCRUKYGYRVXFDZ-MNOVXSKESA-N 0 3 287.360 -1.074 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001402612688 889254180 /nfs/dbraw/zinc/25/41/80/889254180.db2.gz WZMNYCCYNUOWCM-LLVKDONJSA-N 0 3 295.343 -1.554 20 0 CAADHN CCn1ccc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)n1 ZINC001402610089 889254238 /nfs/dbraw/zinc/25/42/38/889254238.db2.gz VYBBZBNZXBVSBS-JTQLQIEISA-N 0 3 295.343 -1.181 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001402612691 889254512 /nfs/dbraw/zinc/25/45/12/889254512.db2.gz WZMNYCCYNUOWCM-NSHDSACASA-N 0 3 295.343 -1.554 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001402601185 889254617 /nfs/dbraw/zinc/25/46/17/889254617.db2.gz MDVYENFZPNEWQG-SECBINFHSA-N 0 3 297.319 -2.764 20 0 CAADHN Cc1ncc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)n1C ZINC001402591933 889254657 /nfs/dbraw/zinc/25/46/57/889254657.db2.gz FAQBLFACLJZQNR-JTQLQIEISA-N 0 3 295.343 -1.356 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cocn2)CCO1 ZINC001402619779 889254884 /nfs/dbraw/zinc/25/48/84/889254884.db2.gz ZXLFOCSKKHWFOC-SECBINFHSA-N 0 3 282.300 -1.149 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CCc2c[nH]cn2)CCO1 ZINC001402602742 889255259 /nfs/dbraw/zinc/25/52/59/889255259.db2.gz QSNFVTUOQGMZEX-NSHDSACASA-N 0 3 295.343 -1.355 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2ccc[nH]2)CCO1 ZINC001402593665 889255291 /nfs/dbraw/zinc/25/52/91/889255291.db2.gz HMBAVHBXOAYWIY-NSHDSACASA-N 0 3 280.328 -1.141 20 0 CAADHN Cc1ccnc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)n1 ZINC001402610502 889255352 /nfs/dbraw/zinc/25/53/52/889255352.db2.gz ZXZLMTBZRZOXKL-JTQLQIEISA-N 0 3 293.327 -1.299 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1)C(N)=O ZINC001402604160 889255465 /nfs/dbraw/zinc/25/54/65/889255465.db2.gz PTQKLCJWVDBZEA-VHSXEESVSA-N 0 3 295.343 -1.357 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CCc2c[nH]cn2)CCO1 ZINC001402602737 889255580 /nfs/dbraw/zinc/25/55/80/889255580.db2.gz QSNFVTUOQGMZEX-LLVKDONJSA-N 0 3 295.343 -1.355 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001402605980 889255684 /nfs/dbraw/zinc/25/56/84/889255684.db2.gz VSOJCEUYQPADDY-SECBINFHSA-N 0 3 296.331 -2.008 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1)C(N)=O ZINC001402599742 889256060 /nfs/dbraw/zinc/25/60/60/889256060.db2.gz LWEJMRFZGDEFFQ-VHSXEESVSA-N 0 3 295.343 -1.276 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001402766395 889257483 /nfs/dbraw/zinc/25/74/83/889257483.db2.gz BNTITGYVBPCCPG-SCZZXKLOSA-N 0 3 270.333 -1.614 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001402728284 889257985 /nfs/dbraw/zinc/25/79/85/889257985.db2.gz RJYPHSWQZQXOEY-LLVKDONJSA-N 0 3 298.387 -1.229 20 0 CAADHN O=C(c1cnc[n-]c1=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001402728549 889258377 /nfs/dbraw/zinc/25/83/77/889258377.db2.gz MRTXQHTTZFGUCX-ZDUSSCGKSA-N 0 3 296.327 -1.269 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)CN1CCOCC1 ZINC001402756164 889258467 /nfs/dbraw/zinc/25/84/67/889258467.db2.gz XQGXDAKSUOORRR-LBPRGKRZSA-N 0 3 298.387 -1.225 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402760444 889258529 /nfs/dbraw/zinc/25/85/29/889258529.db2.gz MZBNKOQYNCCYSJ-MXWKQRLJSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C ZINC001402767679 889258776 /nfs/dbraw/zinc/25/87/76/889258776.db2.gz BDQDJPUJOUIULW-SCZZXKLOSA-N 0 3 293.327 -1.434 20 0 CAADHN CNC(=O)CN[C@]1(CO)CCCN(C(=O)c2ccn[nH]2)C1 ZINC001402718083 889259420 /nfs/dbraw/zinc/25/94/20/889259420.db2.gz RQXQRXKTFOUCPN-CYBMUJFWSA-N 0 3 295.343 -1.288 20 0 CAADHN C[C@@H]1CO[C@@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)C1 ZINC001402793290 889259921 /nfs/dbraw/zinc/25/99/21/889259921.db2.gz GWUKTISCAULYMW-WDEREUQCSA-N 0 3 299.371 -1.160 20 0 CAADHN CC(=O)N1CCC(O)(CN[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001402797388 889262061 /nfs/dbraw/zinc/26/20/61/889262061.db2.gz RUWJQAHYJJIWRL-QMMMGPOBSA-N 0 3 286.332 -1.467 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001402833107 889261359 /nfs/dbraw/zinc/26/13/59/889261359.db2.gz BZFOCMOMJIIXHM-SFYZADRCSA-N 0 3 279.362 -1.740 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1C ZINC001402800241 889261557 /nfs/dbraw/zinc/26/15/57/889261557.db2.gz ZGABOLYGFBFFGY-SCZZXKLOSA-N 0 3 294.359 -1.162 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H](C)OC ZINC001402833409 889261901 /nfs/dbraw/zinc/26/19/01/889261901.db2.gz CWKHSDOLWDXKKR-HTQZYQBOSA-N 0 3 274.321 -1.429 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cn[nH]c1 ZINC001402837415 889262254 /nfs/dbraw/zinc/26/22/54/889262254.db2.gz GHHNOYSHRMEJMO-SSDOTTSWSA-N 0 3 282.304 -1.427 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H](C)OC ZINC001402833413 889262775 /nfs/dbraw/zinc/26/27/75/889262775.db2.gz CWKHSDOLWDXKKR-SFYZADRCSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@H](CNC(=O)CS(C)(=O)=O)NCC(=O)N(C)C ZINC001402832545 889262878 /nfs/dbraw/zinc/26/28/78/889262878.db2.gz AVUNAPTWYUJKPM-MRVPVSSYSA-N 0 3 279.362 -1.787 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COCCO1)NCCS(C)(=O)=O ZINC001402834411 889263224 /nfs/dbraw/zinc/26/32/24/889263224.db2.gz JWUMAPCVAZDXLG-VHSXEESVSA-N 0 3 294.373 -1.459 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCCNC1=O ZINC001402833794 889263300 /nfs/dbraw/zinc/26/33/00/889263300.db2.gz MJTPJIFFIWWWIU-SCZZXKLOSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C ZINC001402800707 889263315 /nfs/dbraw/zinc/26/33/15/889263315.db2.gz ZVRSTNAGOLDRFJ-DTWKUNHWSA-N 0 3 280.332 -1.389 20 0 CAADHN CCN1CC[C@H](N[C@H](C)CNC(=O)Cn2cnnn2)C1=O ZINC001402835444 889263330 /nfs/dbraw/zinc/26/33/30/889263330.db2.gz AEYKJKUMNVJUPZ-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@H](C)CNC(=O)Cn1cnnn1 ZINC001402840045 889263453 /nfs/dbraw/zinc/26/34/53/889263453.db2.gz IETBSUVZLAGVNA-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)Cn2cnnn2)n[nH]1 ZINC001402843505 889263528 /nfs/dbraw/zinc/26/35/28/889263528.db2.gz NVHYUTZSRLBACF-SSDOTTSWSA-N 0 3 279.308 -1.606 20 0 CAADHN CC(C)CNC(=O)CN[C@H](C)CNC(=O)Cn1cnnn1 ZINC001402843496 889263677 /nfs/dbraw/zinc/26/36/77/889263677.db2.gz NUKWRKKDSWVDPS-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN CC(C)CNC(=O)CN[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001402843494 889263945 /nfs/dbraw/zinc/26/39/45/889263945.db2.gz NUKWRKKDSWVDPS-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN CC(C)(O)CC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001402795508 889263983 /nfs/dbraw/zinc/26/39/83/889263983.db2.gz RNCSWBBJZKWVKN-UHFFFAOYSA-N 0 3 287.360 -1.424 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1)N[C@@H](C)C(=O)NC(N)=O ZINC001402841356 889264072 /nfs/dbraw/zinc/26/40/72/889264072.db2.gz BNTDGYURGVJFHJ-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN CCN1CC[C@H](N[C@@H](C)CNC(=O)Cn2cnnn2)C1=O ZINC001402835442 889264242 /nfs/dbraw/zinc/26/42/42/889264242.db2.gz AEYKJKUMNVJUPZ-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)N[C@@H]1CCCNC1=O ZINC001402876459 889265429 /nfs/dbraw/zinc/26/54/29/889265429.db2.gz JUXOOBQZZUIOGC-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001402862261 889265934 /nfs/dbraw/zinc/26/59/34/889265934.db2.gz CPKNLJAHMJCHBK-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)c1cnn(C)c1N ZINC001402872275 889265955 /nfs/dbraw/zinc/26/59/55/889265955.db2.gz RKCUZCFEESGAHD-QMMMGPOBSA-N 0 3 282.348 -1.154 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001402880557 889266163 /nfs/dbraw/zinc/26/61/63/889266163.db2.gz JIDJVXBAIXCRTG-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)NC1CC1 ZINC001402874430 889266227 /nfs/dbraw/zinc/26/62/27/889266227.db2.gz TURBGZOQANPEKB-CBAPKCEASA-N 0 3 284.316 -1.532 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CN1CCCC1=O)C(N)=O ZINC001402848468 889266332 /nfs/dbraw/zinc/26/63/32/889266332.db2.gz VRYOIVDHRNQOBJ-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)NCC(=O)NC1CC1 ZINC001402848814 889266594 /nfs/dbraw/zinc/26/65/94/889266594.db2.gz VIJIFDJHEKGTKJ-VIFPVBQESA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@H](C)CNC(=O)Cn1ncnn1 ZINC001402880547 889266747 /nfs/dbraw/zinc/26/67/47/889266747.db2.gz JIDJVXBAIXCRTG-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N[C@@H]1CCN(C)C1=O ZINC001402879075 889266980 /nfs/dbraw/zinc/26/69/80/889266980.db2.gz QTCXEIQUUNHFJY-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)N[C@H]1CCN(C)C1=O ZINC001402879074 889267093 /nfs/dbraw/zinc/26/70/93/889267093.db2.gz QTCXEIQUUNHFJY-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CNC(=O)c1cnns1)NCC(=O)NC(N)=O ZINC001402847510 889267848 /nfs/dbraw/zinc/26/78/48/889267848.db2.gz SMGZTYJGNWJOPX-RXMQYKEDSA-N 0 3 286.317 -1.559 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NC1(CO)CCN(CCO)CC1 ZINC001402877860 889268036 /nfs/dbraw/zinc/26/80/36/889268036.db2.gz GVZHLTGSCQHCFB-LLVKDONJSA-N 0 3 299.371 -1.457 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001402879071 889268225 /nfs/dbraw/zinc/26/82/25/889268225.db2.gz QRZWPAWHVRZKPG-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)N1CCCC1 ZINC001402870863 889268305 /nfs/dbraw/zinc/26/83/05/889268305.db2.gz NHIUKIKVFSHWHY-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)N[C@@H]1CCCNC1=O ZINC001402876457 889268508 /nfs/dbraw/zinc/26/85/08/889268508.db2.gz JUXOOBQZZUIOGC-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)NC1CC1 ZINC001402861473 889268642 /nfs/dbraw/zinc/26/86/42/889268642.db2.gz BYYXTUCBVSWPLN-YUMQZZPRSA-N 0 3 285.348 -1.584 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCCO1)NCC(=O)NC(N)=O ZINC001402856648 889268685 /nfs/dbraw/zinc/26/86/85/889268685.db2.gz ADXJBIXTQMQLLH-IUCAKERBSA-N 0 3 286.332 -1.155 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001402851586 889268790 /nfs/dbraw/zinc/26/87/90/889268790.db2.gz YOQVZFBMUQLOOG-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001402879068 889268818 /nfs/dbraw/zinc/26/88/18/889268818.db2.gz QRZWPAWHVRZKPG-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@H](C)CNC(=O)Cn1ncnn1 ZINC001402880553 889269093 /nfs/dbraw/zinc/26/90/93/889269093.db2.gz JIDJVXBAIXCRTG-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)c2cn(C)nn2)CC1 ZINC001402864935 889269250 /nfs/dbraw/zinc/26/92/50/889269250.db2.gz VEDHMOCKFRJGTD-JTQLQIEISA-N 0 3 297.359 -1.247 20 0 CAADHN Cn1cncc1C(=O)NC1(CO)CCN(CCO)CC1 ZINC001402878936 889269338 /nfs/dbraw/zinc/26/93/38/889269338.db2.gz QTVDGHIYRREPRO-UHFFFAOYSA-N 0 3 282.344 -1.031 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCCO1)NCC(=O)NC(N)=O ZINC001402856655 889269442 /nfs/dbraw/zinc/26/94/42/889269442.db2.gz ADXJBIXTQMQLLH-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)CNC(=O)OC ZINC001402849952 889269515 /nfs/dbraw/zinc/26/95/15/889269515.db2.gz WGMHZNQTDBOOSN-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)CNC(=O)OC ZINC001402849704 889269542 /nfs/dbraw/zinc/26/95/42/889269542.db2.gz WGMHZNQTDBOOSN-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001402862934 889269572 /nfs/dbraw/zinc/26/95/72/889269572.db2.gz DLVHHJSBDDAAEW-MRVPVSSYSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@H](CNC(=O)CN1CCCNC1=O)N[C@@H](C)C(N)=O ZINC001402929293 889270628 /nfs/dbraw/zinc/27/06/28/889270628.db2.gz NHCYTXJLNJKFNA-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN Cc1occc1C(=O)NCC(=O)NC[C@H](C)NCC(N)=O ZINC001402900373 889271004 /nfs/dbraw/zinc/27/10/04/889271004.db2.gz WRMDDMYCASFZHM-QMMMGPOBSA-N 0 3 296.327 -1.103 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N[C@@H](C)C(=O)NC1CC1 ZINC001402883537 889271041 /nfs/dbraw/zinc/27/10/41/889271041.db2.gz POCRCIQKMQQQDY-BDAKNGLRSA-N 0 3 295.347 -1.566 20 0 CAADHN CCN1CC[C@H](N[C@@H](C)CNC(=O)CNC(=O)NC)C1=O ZINC001402887891 889271208 /nfs/dbraw/zinc/27/12/08/889271208.db2.gz FREJZXCTOPAUER-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)NCc1ccnn1C ZINC001402895339 889271378 /nfs/dbraw/zinc/27/13/78/889271378.db2.gz PZWUSRIZAMSUKO-SECBINFHSA-N 0 3 282.348 -1.057 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001402896970 889271584 /nfs/dbraw/zinc/27/15/84/889271584.db2.gz SMLIIQGVGDFSDE-JGVFFNPUSA-N 0 3 271.321 -2.102 20 0 CAADHN O=C(Cn1ccnc1)NC1(CO)CCN(CCO)CC1 ZINC001402885581 889271672 /nfs/dbraw/zinc/27/16/72/889271672.db2.gz JBXCGSBXZXPKLI-UHFFFAOYSA-N 0 3 282.344 -1.182 20 0 CAADHN Cc1cnc2nc(C(=O)NC[C@@H](C)NCC(N)=O)nn2c1 ZINC001402914734 889272025 /nfs/dbraw/zinc/27/20/25/889272025.db2.gz SHZZDALFXPSJBW-MRVPVSSYSA-N 0 3 291.315 -1.374 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001402913715 889272128 /nfs/dbraw/zinc/27/21/28/889272128.db2.gz YUKSAKNSARIMPV-SECBINFHSA-N 0 3 295.343 -1.376 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H](C)NCCF ZINC001402907124 889272469 /nfs/dbraw/zinc/27/24/69/889272469.db2.gz LXJWLZHBKYBZTB-QMMMGPOBSA-N 0 3 276.312 -1.698 20 0 CAADHN CCN1CC[C@@H](N[C@H](C)CNC(=O)CNC(=O)NC)C1=O ZINC001402887887 889272503 /nfs/dbraw/zinc/27/25/03/889272503.db2.gz FREJZXCTOPAUER-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N[C@@H](C)C(=O)N(C)C ZINC001402885030 889272529 /nfs/dbraw/zinc/27/25/29/889272529.db2.gz QOGRRZLYFXLPRP-BDAKNGLRSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)NCC(N)=O ZINC001402923530 889272749 /nfs/dbraw/zinc/27/27/49/889272749.db2.gz FUNWYARSXHMEET-RKDXNWHRSA-N 0 3 285.348 -1.643 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N[C@H](C)C(=O)NC1CC1 ZINC001402883549 889273605 /nfs/dbraw/zinc/27/36/05/889273605.db2.gz POCRCIQKMQQQDY-RKDXNWHRSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)NCCS(C)(=O)=O ZINC001402880766 889274111 /nfs/dbraw/zinc/27/41/11/889274111.db2.gz JZOIMEJIIOBMSR-QMMMGPOBSA-N 0 3 290.349 -2.188 20 0 CAADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)N[C@@H]1CCNC1=O ZINC001402967156 889274678 /nfs/dbraw/zinc/27/46/78/889274678.db2.gz JEUOAKJYUJESIE-IONNQARKSA-N 0 3 294.311 -1.025 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCC1 ZINC001402982100 889274707 /nfs/dbraw/zinc/27/47/07/889274707.db2.gz GVWNYRHOVYUREF-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001403007718 889275019 /nfs/dbraw/zinc/27/50/19/889275019.db2.gz QPNVABRXPVAXQT-ZETCQYMHSA-N 0 3 281.316 -1.433 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCNC(=O)NC ZINC001402993180 889275077 /nfs/dbraw/zinc/27/50/77/889275077.db2.gz NISIHJTWJUWZAJ-RKDXNWHRSA-N 0 3 287.364 -1.466 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N1CCC1 ZINC001402996994 889275111 /nfs/dbraw/zinc/27/51/11/889275111.db2.gz HMDQZCKZJKPRDG-AEJSXWLSSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)NCC(N)=O ZINC001402963603 889275524 /nfs/dbraw/zinc/27/55/24/889275524.db2.gz ALCHUWWWAKXZCQ-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](CNC(=O)c1cncn1C)NCC(=O)NC(N)=O ZINC001402940865 889275963 /nfs/dbraw/zinc/27/59/63/889275963.db2.gz UOELLTGDNAPDFL-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001403010500 889276497 /nfs/dbraw/zinc/27/64/97/889276497.db2.gz YTALPQMAKUJYOZ-IUCAKERBSA-N 0 3 288.348 -1.941 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCC(N)=O ZINC001402954997 889276605 /nfs/dbraw/zinc/27/66/05/889276605.db2.gz JEPMBEJWQAVRNB-FYLLDIAZSA-N 0 3 285.344 -1.383 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NCC(N)=O ZINC001403008025 889276770 /nfs/dbraw/zinc/27/67/70/889276770.db2.gz RDDWUVNVYIYASP-HLTSFMKQSA-N 0 3 270.333 -1.532 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CNC(=O)OC ZINC001402971849 889276874 /nfs/dbraw/zinc/27/68/74/889276874.db2.gz WAAKPVGKXZLLST-JGVFFNPUSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)NCC(=O)N1CCC1 ZINC001402980769 889276942 /nfs/dbraw/zinc/27/69/42/889276942.db2.gz AKBHXXKLBXMMNP-QMMMGPOBSA-N 0 3 281.320 -1.850 20 0 CAADHN CC(C)CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001402979824 889277008 /nfs/dbraw/zinc/27/70/08/889277008.db2.gz LZZKVUIYVVOGSB-VHSXEESVSA-N 0 3 299.375 -1.466 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccc(C(N)=O)o1 ZINC001402947258 889277062 /nfs/dbraw/zinc/27/70/62/889277062.db2.gz WSBSCZMLHQXSDU-SSDOTTSWSA-N 0 3 282.300 -1.168 20 0 CAADHN CC(C)CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001402979821 889277178 /nfs/dbraw/zinc/27/71/78/889277178.db2.gz LZZKVUIYVVOGSB-UWVGGRQHSA-N 0 3 299.375 -1.466 20 0 CAADHN C[C@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)Cn1cnnn1 ZINC001402945776 889277323 /nfs/dbraw/zinc/27/73/23/889277323.db2.gz ANAPJEYBLDOHRD-IUCAKERBSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)N[C@H]1CCNC1=O ZINC001402967151 889277725 /nfs/dbraw/zinc/27/77/25/889277725.db2.gz JEUOAKJYUJESIE-APPZFPTMSA-N 0 3 294.311 -1.025 20 0 CAADHN CC(C)CNC(=O)CN[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001402991688 889277828 /nfs/dbraw/zinc/27/78/28/889277828.db2.gz NZHVRQAFJPNUQR-SECBINFHSA-N 0 3 297.363 -1.310 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NC(C)(C)C ZINC001402992605 889278041 /nfs/dbraw/zinc/27/80/41/889278041.db2.gz ZNDKDRSHNUXCDD-BDAKNGLRSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@H](CNC(=O)c1cncn1C)NCC(=O)NC(N)=O ZINC001402940861 889278081 /nfs/dbraw/zinc/27/80/81/889278081.db2.gz UOELLTGDNAPDFL-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)c1cnnn1C ZINC001403004128 889278288 /nfs/dbraw/zinc/27/82/88/889278288.db2.gz RBFYTWIULPGQLC-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001403003790 889278305 /nfs/dbraw/zinc/27/83/05/889278305.db2.gz NUKMTEFZFDZECU-AEJSXWLSSA-N 0 3 284.360 -1.272 20 0 CAADHN CCN(CC)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001402975041 889278324 /nfs/dbraw/zinc/27/83/24/889278324.db2.gz FSBMRSSAZXYKBD-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)NCC(=O)NC(N)=O ZINC001403024273 889279073 /nfs/dbraw/zinc/27/90/73/889279073.db2.gz WGDNQVYITNNYFT-JLIMGVALSA-N 0 3 298.343 -1.157 20 0 CAADHN C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)NCC(N)=O ZINC001403041961 889279453 /nfs/dbraw/zinc/27/94/53/889279453.db2.gz YLDCHVVUMVBHTQ-JGVFFNPUSA-N 0 3 294.377 -2.154 20 0 CAADHN CCn1nc(C(=O)N[C@H](C)[C@H](C)NCC(N)=O)ccc1=O ZINC001403031532 889279534 /nfs/dbraw/zinc/27/95/34/889279534.db2.gz KGFNBSKNONHRQR-DTWKUNHWSA-N 0 3 295.343 -1.155 20 0 CAADHN C[C@@H](NC(=O)c1nc2ncccn2n1)[C@H](C)NCC(N)=O ZINC001403050366 889279587 /nfs/dbraw/zinc/27/95/87/889279587.db2.gz VKNNRJJSRUHXBO-JGVFFNPUSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1nc2ncccn2n1 ZINC001403050377 889279730 /nfs/dbraw/zinc/27/97/30/889279730.db2.gz VKNNRJJSRUHXBO-SFYZADRCSA-N 0 3 291.315 -1.294 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001403036377 889279792 /nfs/dbraw/zinc/27/97/92/889279792.db2.gz FJFWQLGSMMUQHM-YUMQZZPRSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@@H](NC(=O)c1ccn(C)c(=O)c1)[C@H](C)NCC(N)=O ZINC001403027714 889279915 /nfs/dbraw/zinc/27/99/15/889279915.db2.gz OZWOJTKTXPPMTN-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001403049957 889280191 /nfs/dbraw/zinc/28/01/91/889280191.db2.gz POPNBCSNAQLWAM-MRVPVSSYSA-N 0 3 283.332 -1.030 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1ccc(=O)n(C)c1 ZINC001403032473 889280258 /nfs/dbraw/zinc/28/02/58/889280258.db2.gz ZBMPXFCKGZJEDX-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN Cc1nn(CC(=O)NC[C@H](C)N[C@H](C)C(N)=O)c(=O)n1C ZINC001403083597 889280342 /nfs/dbraw/zinc/28/03/42/889280342.db2.gz JKDYFICWVVKKLN-JGVFFNPUSA-N 0 3 298.347 -2.142 20 0 CAADHN COc1c(C(=O)NC[C@@H](C)NCC(N)=O)c(C)nn1C ZINC001403053606 889280405 /nfs/dbraw/zinc/28/04/05/889280405.db2.gz SEYRMTSWXWHNGY-SSDOTTSWSA-N 0 3 283.332 -1.070 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncn2nccc2c1=O)NCCF ZINC001403058150 889280566 /nfs/dbraw/zinc/28/05/66/889280566.db2.gz XOWWNEGWXRVDRX-VIFPVBQESA-N 0 3 296.306 -1.045 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCCC(N)=O ZINC001403058845 889280608 /nfs/dbraw/zinc/28/06/08/889280608.db2.gz XTIRIWNVRMVBOG-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN CCn1nc(C(=O)N[C@@H](C)[C@@H](C)NCC(N)=O)ccc1=O ZINC001403031524 889280698 /nfs/dbraw/zinc/28/06/98/889280698.db2.gz KGFNBSKNONHRQR-BDAKNGLRSA-N 0 3 295.343 -1.155 20 0 CAADHN C[C@H](CNC(=O)COCc1nncn1C)NCC(N)=O ZINC001403081803 889280860 /nfs/dbraw/zinc/28/08/60/889280860.db2.gz JEJVTKSLZQAKCC-MRVPVSSYSA-N 0 3 284.320 -2.089 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cccnn1)C(=O)NC(N)=O ZINC001403071409 889280882 /nfs/dbraw/zinc/28/08/82/889280882.db2.gz VGBUJLZKTZYITD-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)C(C)(C)S(C)(=O)=O)C(N)=O ZINC001403058362 889281004 /nfs/dbraw/zinc/28/10/04/889281004.db2.gz YAMQYENVELNSME-JGVFFNPUSA-N 0 3 293.389 -1.222 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)n[nH]1 ZINC001403012618 889281171 /nfs/dbraw/zinc/28/11/71/889281171.db2.gz VAQOSCKHOZTABM-VXNVDRBHSA-N 0 3 295.347 -1.269 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001403069571 889281226 /nfs/dbraw/zinc/28/12/26/889281226.db2.gz LKHWKZZLBLWGGC-SFYZADRCSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(=O)N1CCC1 ZINC001403019721 889281395 /nfs/dbraw/zinc/28/13/95/889281395.db2.gz XZCHVLVADKNMCN-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(=O)N1CCC1 ZINC001403019778 889281472 /nfs/dbraw/zinc/28/14/72/889281472.db2.gz XZCHVLVADKNMCN-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@@H](NC(=O)c1c[nH]c(=O)cn1)[C@H](C)NCC(=O)N(C)C ZINC001403039997 889281569 /nfs/dbraw/zinc/28/15/69/889281569.db2.gz KAUZBFSQCGHNTE-DTWKUNHWSA-N 0 3 295.343 -1.046 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001403058366 889281928 /nfs/dbraw/zinc/28/19/28/889281928.db2.gz YAMQYENVELNSME-SFYZADRCSA-N 0 3 293.389 -1.222 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(=O)N1CCC1 ZINC001403019759 889281957 /nfs/dbraw/zinc/28/19/57/889281957.db2.gz XZCHVLVADKNMCN-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001403041954 889281987 /nfs/dbraw/zinc/28/19/87/889281987.db2.gz YLDCHVVUMVBHTQ-HTQZYQBOSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1ccn(C)c(=O)c1 ZINC001403027720 889282105 /nfs/dbraw/zinc/28/21/05/889282105.db2.gz OZWOJTKTXPPMTN-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1nnn(C)c1C ZINC001403018262 889282408 /nfs/dbraw/zinc/28/24/08/889282408.db2.gz RNBBLIWYZUDWEW-HTQZYQBOSA-N 0 3 282.348 -1.034 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1nnn(C)c1C ZINC001403018267 889282483 /nfs/dbraw/zinc/28/24/83/889282483.db2.gz RNBBLIWYZUDWEW-JGVFFNPUSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc(=O)n(C)c1 ZINC001403032468 889282509 /nfs/dbraw/zinc/28/25/09/889282509.db2.gz ZBMPXFCKGZJEDX-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1nnn(C)c1C ZINC001403018280 889282608 /nfs/dbraw/zinc/28/26/08/889282608.db2.gz RNBBLIWYZUDWEW-YUMQZZPRSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001403039992 889282654 /nfs/dbraw/zinc/28/26/54/889282654.db2.gz KAUZBFSQCGHNTE-BDAKNGLRSA-N 0 3 295.343 -1.046 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCN1CCOCC1 ZINC001403080069 889282996 /nfs/dbraw/zinc/28/29/96/889282996.db2.gz VNKDXAVKRUKQHP-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN CCN1CC[C@H](N[C@H]2CCN(C(=O)CNC(C)=O)C2)C1=O ZINC001403148642 889283674 /nfs/dbraw/zinc/28/36/74/889283674.db2.gz MDOMMXIVRLYDPD-RYUDHWBXSA-N 0 3 296.371 -1.066 20 0 CAADHN COCCN(C)[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001403149473 889284032 /nfs/dbraw/zinc/28/40/32/889284032.db2.gz MCUAKENAERKZNK-JTQLQIEISA-N 0 3 285.348 -1.335 20 0 CAADHN C[C@H](CNC(=O)CCc1cn(C)nn1)N[C@@H](C)C(N)=O ZINC001403146184 889284126 /nfs/dbraw/zinc/28/41/26/889284126.db2.gz HHXJIJLPCJANJE-BDAKNGLRSA-N 0 3 282.348 -1.284 20 0 CAADHN CNC(=O)c1cccc(C(=O)NC[C@H](C)NCC(N)=O)n1 ZINC001403119440 889285234 /nfs/dbraw/zinc/28/52/34/889285234.db2.gz RVTZBCPGHWENOC-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@H](CNC(=O)Cn1ccnc1)NCC(=O)NC(N)=O ZINC001403128634 889285424 /nfs/dbraw/zinc/28/54/24/889285424.db2.gz DVANECWCESMMRH-MRVPVSSYSA-N 0 3 282.304 -1.828 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001403137992 889285817 /nfs/dbraw/zinc/28/58/17/889285817.db2.gz LYPWHCALLJYHOQ-SSDOTTSWSA-N 0 3 280.350 -2.624 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](C)NCC(N)=O)N1CCCC1=O ZINC001403144500 889286312 /nfs/dbraw/zinc/28/63/12/889286312.db2.gz QVEABJHTEUBXRE-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCCn1cncn1 ZINC001403090095 889286573 /nfs/dbraw/zinc/28/65/73/889286573.db2.gz XZKUSCRALWZEDC-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)CCO ZINC001403151545 889286882 /nfs/dbraw/zinc/28/68/82/889286882.db2.gz WLHVFRUQDKUGTO-SECBINFHSA-N 0 3 284.316 -1.622 20 0 CAADHN CC[C@H](C(=O)NC[C@H](C)NCC(N)=O)N1CCCC1=O ZINC001403144518 889288188 /nfs/dbraw/zinc/28/81/88/889288188.db2.gz QVEABJHTEUBXRE-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)nn1 ZINC001403162169 889290025 /nfs/dbraw/zinc/29/00/25/889290025.db2.gz JYMSTMNSXRDRCD-JTQLQIEISA-N 0 3 292.343 -1.102 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001403164394 889290320 /nfs/dbraw/zinc/29/03/20/889290320.db2.gz NCZBLGGVFQUANE-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001403182609 889290574 /nfs/dbraw/zinc/29/05/74/889290574.db2.gz UZBXKCFITSZKNJ-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)N(C)CCO ZINC001403204485 889291433 /nfs/dbraw/zinc/29/14/33/889291433.db2.gz MICGRGSJVZPEDG-SECBINFHSA-N 0 3 270.333 -1.234 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001403182614 889291626 /nfs/dbraw/zinc/29/16/26/889291626.db2.gz UZBXKCFITSZKNJ-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2[n-]nnc2C)C1 ZINC001403237084 889295849 /nfs/dbraw/zinc/29/58/49/889295849.db2.gz GIXCSXGWTPZZDD-SECBINFHSA-N 0 3 280.332 -1.089 20 0 CAADHN C[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)N(C)CCO ZINC001403233467 889296132 /nfs/dbraw/zinc/29/61/32/889296132.db2.gz XYBBUHOGTLMSOR-JTQLQIEISA-N 0 3 295.405 -1.303 20 0 CAADHN C[C@H](O)CN1CC([C@H](C)NC(=O)CCn2cnnn2)C1 ZINC001403334653 889298074 /nfs/dbraw/zinc/29/80/74/889298074.db2.gz SUDAHXUSRQIUKD-UWVGGRQHSA-N 0 3 282.348 -1.120 20 0 CAADHN CCN1CC([C@H](C)NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001403347126 889298356 /nfs/dbraw/zinc/29/83/56/889298356.db2.gz UVSQUTGVXHSYKH-VIFPVBQESA-N 0 3 292.405 -1.161 20 0 CAADHN COC[C@@H](O)CN1CC([C@@H](C)NC(=O)c2nnn(C)n2)C1 ZINC001403318074 889299209 /nfs/dbraw/zinc/29/92/09/889299209.db2.gz FZAKAEUJNWRJOZ-SCZZXKLOSA-N 0 3 298.347 -1.733 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H](C)C1CN(CCCO)C1 ZINC001403292463 889300428 /nfs/dbraw/zinc/30/04/28/889300428.db2.gz GJUCXHLYURZVAW-IUCAKERBSA-N 0 3 272.349 -1.138 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001403429766 889301620 /nfs/dbraw/zinc/30/16/20/889301620.db2.gz YYTXCNJRLSFSDK-ZKCHVHJHSA-N 0 3 279.300 -1.235 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001403437597 889301818 /nfs/dbraw/zinc/30/18/18/889301818.db2.gz XVAFJOHLNBYBNL-JGVFFNPUSA-N 0 3 297.319 -2.486 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001403437476 889302084 /nfs/dbraw/zinc/30/20/84/889302084.db2.gz XVAFJOHLNBYBNL-HTQZYQBOSA-N 0 3 297.319 -2.486 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001403437637 889302147 /nfs/dbraw/zinc/30/21/47/889302147.db2.gz XVAFJOHLNBYBNL-SFYZADRCSA-N 0 3 297.319 -2.486 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001403419693 889302278 /nfs/dbraw/zinc/30/22/78/889302278.db2.gz LUBACVORVOGHLG-DTWKUNHWSA-N 0 3 296.331 -1.630 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001403419693 889302286 /nfs/dbraw/zinc/30/22/86/889302286.db2.gz LUBACVORVOGHLG-DTWKUNHWSA-N 0 3 296.331 -1.630 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2ccncn2)CCO1 ZINC001403415753 889302547 /nfs/dbraw/zinc/30/25/47/889302547.db2.gz JZJLACOYJUVUNR-GXSJLCMTSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001403429285 889303214 /nfs/dbraw/zinc/30/32/14/889303214.db2.gz WNBIRTAGNTVUHH-MNOVXSKESA-N 0 3 295.343 -1.426 20 0 CAADHN NC(=O)CN1C[C@@H]2[C@@H](CNC(=O)CCc3cn[nH]n3)[C@@H]2C1 ZINC001403398698 889303707 /nfs/dbraw/zinc/30/37/07/889303707.db2.gz CNZWMCRIERKBAR-RTCCRHLQSA-N 0 3 292.343 -1.483 20 0 CAADHN NC(=O)CN1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]nn3)[C@@H]2C1 ZINC001403398698 889303721 /nfs/dbraw/zinc/30/37/21/889303721.db2.gz CNZWMCRIERKBAR-RTCCRHLQSA-N 0 3 292.343 -1.483 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001403434632 889303755 /nfs/dbraw/zinc/30/37/55/889303755.db2.gz UTKBYUGRZQBGHT-KOLCDFICSA-N 0 3 293.327 -1.219 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001403461479 889304846 /nfs/dbraw/zinc/30/48/46/889304846.db2.gz SHHZVFDAMGUBRY-GUBZILKMSA-N 0 3 294.359 -1.034 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1cncn1)N[C@@H](C)C(N)=O ZINC001403517139 889304978 /nfs/dbraw/zinc/30/49/78/889304978.db2.gz AKPVXFDNEMMWNY-ZJUUUORDSA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001403458910 889306192 /nfs/dbraw/zinc/30/61/92/889306192.db2.gz OEOOWSNPJXCNCE-SNVBAGLBSA-N 0 3 298.343 -1.236 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1cnn(C)c1N ZINC001403529700 889306357 /nfs/dbraw/zinc/30/63/57/889306357.db2.gz DCQIPADMXHZUQJ-VIFPVBQESA-N 0 3 285.348 -1.329 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001403519729 889306559 /nfs/dbraw/zinc/30/65/59/889306559.db2.gz VVOMBLUWDQSITC-SECBINFHSA-N 0 3 285.348 -1.773 20 0 CAADHN CC(=O)NCC(=O)NCCN(C)C[C@@H](O)Cn1cccn1 ZINC001403487425 889307133 /nfs/dbraw/zinc/30/71/33/889307133.db2.gz JONLTYFVQIZBMV-GFCCVEGCSA-N 0 3 297.359 -1.572 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)CNC(C)=O)CC1 ZINC001403457659 889307756 /nfs/dbraw/zinc/30/77/56/889307756.db2.gz GVDFTKATXYKWTH-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN CN(C(=O)[C@@H]1COC(=O)N1)[C@@H](CNCC(N)=O)C1CC1 ZINC001403497926 889309010 /nfs/dbraw/zinc/30/90/10/889309010.db2.gz XREFACAWIYMEMW-IUCAKERBSA-N 0 3 284.316 -1.593 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CCn1cncn1 ZINC001403530157 889309215 /nfs/dbraw/zinc/30/92/15/889309215.db2.gz VAZQOCXGPYPOLP-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCCC1=O)N[C@H]1CCNC1=O ZINC001403522968 889309259 /nfs/dbraw/zinc/30/92/59/889309259.db2.gz KCXMQNHPSGJACN-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](CN(C)C(=O)c1ncn(C)n1)N[C@H]1CCNC1=O ZINC001403550146 889310944 /nfs/dbraw/zinc/31/09/44/889310944.db2.gz CPNXHVXFJZDINA-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@H](C)N[C@H]1CCNC1=O ZINC001403552462 889312071 /nfs/dbraw/zinc/31/20/71/889312071.db2.gz XPPWZAMRFXFNPV-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001403564435 889312399 /nfs/dbraw/zinc/31/23/99/889312399.db2.gz JZCUIQOQINZUNK-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnc2n1CCOC2)NCC(N)=O ZINC001403553625 889312507 /nfs/dbraw/zinc/31/25/07/889312507.db2.gz KVGFWJHXSKNILK-SECBINFHSA-N 0 3 295.343 -1.051 20 0 CAADHN CC[C@H](N[C@@H](C)CN(C)C(=O)CNC(=O)NC)C(N)=O ZINC001403564401 889313657 /nfs/dbraw/zinc/31/36/57/889313657.db2.gz JUPRPWQYZOMBCU-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001403564431 889313828 /nfs/dbraw/zinc/31/38/28/889313828.db2.gz JZCUIQOQINZUNK-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@H](CC(=O)N(C)C[C@@H](C)NCC(N)=O)NC(N)=O ZINC001403560784 889313858 /nfs/dbraw/zinc/31/38/58/889313858.db2.gz YNCJUZDJDFZWIQ-HTQZYQBOSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCOCC1)N[C@H]1CCNC1=O ZINC001403540907 889314055 /nfs/dbraw/zinc/31/40/55/889314055.db2.gz LSWXDECPOBSZPB-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CNC(=O)NC ZINC001403558409 889314142 /nfs/dbraw/zinc/31/41/42/889314142.db2.gz GIUUESRETWVPEG-QMMMGPOBSA-N 0 3 273.337 -1.902 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnnn1C)N[C@@H]1CCNC1=O ZINC001403545741 889314174 /nfs/dbraw/zinc/31/41/74/889314174.db2.gz FGCWPCORJFVKRT-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1cn(C)nn1 ZINC001403549569 889314258 /nfs/dbraw/zinc/31/42/58/889314258.db2.gz BOLKAYBIYPFVBO-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnc2n1CCOC2)NCC(N)=O ZINC001403553643 889314292 /nfs/dbraw/zinc/31/42/92/889314292.db2.gz KVGFWJHXSKNILK-VIFPVBQESA-N 0 3 295.343 -1.051 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCOCC1)N[C@H]1CCNC1=O ZINC001403540885 889314720 /nfs/dbraw/zinc/31/47/20/889314720.db2.gz LSWXDECPOBSZPB-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)NCC(N)=O ZINC001403533047 889315042 /nfs/dbraw/zinc/31/50/42/889315042.db2.gz COBBEDGQNYVEKL-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nnn(C)n1)N[C@@H]1CCN(C)C1=O ZINC001403573423 889315806 /nfs/dbraw/zinc/31/58/06/889315806.db2.gz FIOHODAILZLFIM-DTWKUNHWSA-N 0 3 295.347 -1.509 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001403609712 889315967 /nfs/dbraw/zinc/31/59/67/889315967.db2.gz MXZJRCDGSBGRBY-QMMMGPOBSA-N 0 3 272.349 -1.177 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCN(C)C[C@H](C)O ZINC001403566467 889316194 /nfs/dbraw/zinc/31/61/94/889316194.db2.gz MGICVRSMWWNSAG-JTQLQIEISA-N 0 3 275.349 -1.480 20 0 CAADHN COCCn1nc(C(=O)NCCN(C)CCO)ccc1=O ZINC001403608965 889316477 /nfs/dbraw/zinc/31/64/77/889316477.db2.gz JFJYFKDRJLXCHB-UHFFFAOYSA-N 0 3 298.343 -1.456 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001403575562 889317301 /nfs/dbraw/zinc/31/73/01/889317301.db2.gz FOPOUOVZKAZYSJ-SSDOTTSWSA-N 0 3 295.365 -3.038 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CCc1cnn(C)n1 ZINC001403584185 889318092 /nfs/dbraw/zinc/31/80/92/889318092.db2.gz CKXBWFKWRZZIHD-JTQLQIEISA-N 0 3 296.375 -1.070 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001403603308 889318230 /nfs/dbraw/zinc/31/82/30/889318230.db2.gz ZIQFIFPCULYBJW-NXEZZACHSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1cnnn1)N[C@@H]1CCNC1=O ZINC001403603809 889319178 /nfs/dbraw/zinc/31/91/78/889319178.db2.gz CBVMUSKGHBERCH-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)NCC(N)=O ZINC001403595006 889319203 /nfs/dbraw/zinc/31/92/03/889319203.db2.gz OYFMNXUTSDZEAQ-AEJSXWLSSA-N 0 3 284.360 -1.190 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccn2nnnc2c1)NCC(N)=O ZINC001403592464 889319853 /nfs/dbraw/zinc/31/98/53/889319853.db2.gz VJVGIXFITSFLRS-QMMMGPOBSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cncn1)N[C@H]1CCNC1=O ZINC001403615992 889321529 /nfs/dbraw/zinc/32/15/29/889321529.db2.gz VBZQHNIQBZULAN-ZJUUUORDSA-N 0 3 280.332 -1.397 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001403626320 889323273 /nfs/dbraw/zinc/32/32/73/889323273.db2.gz NBPDREIIBCDAAU-KOLCDFICSA-N 0 3 295.343 -1.206 20 0 CAADHN C[C@H](CN(C)C(=O)c1cccn(C)c1=O)NCC(N)=O ZINC001403625693 889323440 /nfs/dbraw/zinc/32/34/40/889323440.db2.gz DLNCRBZJKDDLHA-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001403627292 889324261 /nfs/dbraw/zinc/32/42/61/889324261.db2.gz JYYQOCIUTOHAMJ-SECBINFHSA-N 0 3 297.359 -1.480 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001403827352 889371425 /nfs/dbraw/zinc/37/14/25/889371425.db2.gz HFTVFAVQZNTMRC-SECBINFHSA-N 0 3 274.321 -2.723 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1cnsn1 ZINC001403661716 889335425 /nfs/dbraw/zinc/33/54/25/889335425.db2.gz ZHBDAEPPXRTMTG-QMMMGPOBSA-N 0 3 297.344 -1.490 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@]12C[C@H]1COC2 ZINC001403662113 889336671 /nfs/dbraw/zinc/33/66/71/889336671.db2.gz CXZOMIHAFVYKFA-GVXVVHGQSA-N 0 3 295.343 -1.619 20 0 CAADHN CNC(=O)[C@@H](C)N(C)CCNC(=O)C1=NC(=O)N(C)C1 ZINC001403666804 889339284 /nfs/dbraw/zinc/33/92/84/889339284.db2.gz ZWZUKLZCTYHWMN-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCCC1=O)c1ncc[nH]1 ZINC001403671090 889340504 /nfs/dbraw/zinc/34/05/04/889340504.db2.gz YLVHHGBABOELNO-SNVBAGLBSA-N 0 3 295.343 -1.288 20 0 CAADHN CNC(=O)[C@H](C)N(C)CCNC(=O)C1=NC(=O)N(C)C1 ZINC001403666813 889341659 /nfs/dbraw/zinc/34/16/59/889341659.db2.gz ZWZUKLZCTYHWMN-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1ncc[nH]1 ZINC001403668761 889341921 /nfs/dbraw/zinc/34/19/21/889341921.db2.gz XWBWZOBFJACBQR-VIFPVBQESA-N 0 3 279.304 -1.618 20 0 CAADHN COC[C@@H](C)N[C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001403673500 889343553 /nfs/dbraw/zinc/34/35/53/889343553.db2.gz QFROMUYIZGWWKI-SCZZXKLOSA-N 0 3 294.373 -1.867 20 0 CAADHN C[C@@H](O)CN[C@@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001403679627 889344091 /nfs/dbraw/zinc/34/40/91/889344091.db2.gz XVIOTPOVBRKQRP-PSASIEDQSA-N 0 3 294.373 -2.131 20 0 CAADHN COC[C@H](C)N[C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001403673508 889345508 /nfs/dbraw/zinc/34/55/08/889345508.db2.gz QFROMUYIZGWWKI-WPRPVWTQSA-N 0 3 294.373 -1.867 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](CO)N[C@@H](C)C(N)=O ZINC001403686599 889348294 /nfs/dbraw/zinc/34/82/94/889348294.db2.gz OULJLNQRYGMUSX-VHSXEESVSA-N 0 3 283.332 -1.868 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](CO)N[C@@H]1CCNC1=O ZINC001403685808 889350165 /nfs/dbraw/zinc/35/01/65/889350165.db2.gz MSFFLNNVIGZJKR-WDEREUQCSA-N 0 3 295.343 -1.853 20 0 CAADHN Cn1ccnc1CN[C@@H](CO)CNC(=O)Cc1cnc[nH]1 ZINC001403706611 889351907 /nfs/dbraw/zinc/35/19/07/889351907.db2.gz VFMYYLKSARBWHR-LLVKDONJSA-N 0 3 292.343 -1.047 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](CO)NCCn2cncn2)CCOC1 ZINC001403712069 889355521 /nfs/dbraw/zinc/35/55/21/889355521.db2.gz DGCAERBZVLVRMG-WCQYABFASA-N 0 3 297.359 -1.229 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NCCN(C)C[C@H](C)O ZINC001403715941 889355969 /nfs/dbraw/zinc/35/59/69/889355969.db2.gz JFNMWSOPCVLSNU-JTQLQIEISA-N 0 3 295.405 -1.303 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001403720422 889356378 /nfs/dbraw/zinc/35/63/78/889356378.db2.gz ORCAADNEHYIBHK-SNVBAGLBSA-N 0 3 298.343 -1.218 20 0 CAADHN CC[C@H](F)C(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001403710203 889357090 /nfs/dbraw/zinc/35/70/90/889357090.db2.gz YCLORFPRUWKMST-UWVGGRQHSA-N 0 3 290.339 -1.174 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](CO)NCCn2cncn2)CCOC1 ZINC001403712066 889357524 /nfs/dbraw/zinc/35/75/24/889357524.db2.gz DGCAERBZVLVRMG-AAEUAGOBSA-N 0 3 297.359 -1.229 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001403740125 889359911 /nfs/dbraw/zinc/35/99/11/889359911.db2.gz FXJAYUZREAYDQO-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](N[C@H](CO)CNC(=O)CN1CCCC1)C(N)=O ZINC001403734150 889360705 /nfs/dbraw/zinc/36/07/05/889360705.db2.gz DDPDVBNQQNDSCL-ZJUUUORDSA-N 0 3 272.349 -1.977 20 0 CAADHN C[C@H](O)CN[C@H](CO)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001403728232 889360786 /nfs/dbraw/zinc/36/07/86/889360786.db2.gz HVANXGXDSRCZHL-IUCAKERBSA-N 0 3 296.389 -1.743 20 0 CAADHN C[C@@H](O)CN[C@@H](CO)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001403728237 889360813 /nfs/dbraw/zinc/36/08/13/889360813.db2.gz HVANXGXDSRCZHL-RKDXNWHRSA-N 0 3 296.389 -1.743 20 0 CAADHN CC(C)(C)S(=O)(=O)CC(=O)NC[C@@H](CO)NCCO ZINC001403730284 889361615 /nfs/dbraw/zinc/36/16/15/889361615.db2.gz PCBVCFMCYWKSDC-VIFPVBQESA-N 0 3 296.389 -1.741 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001403733909 889362100 /nfs/dbraw/zinc/36/21/00/889362100.db2.gz GCJQXHBWBANBPP-RKDXNWHRSA-N 0 3 293.327 -1.292 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001403740124 889362230 /nfs/dbraw/zinc/36/22/30/889362230.db2.gz FXJAYUZREAYDQO-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@@H]1C ZINC001403740280 889362457 /nfs/dbraw/zinc/36/24/57/889362457.db2.gz GPQNFEYYQSRELU-HTQZYQBOSA-N 0 3 281.320 -1.851 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN(C)C[C@@H](C)OC ZINC001403773346 889363882 /nfs/dbraw/zinc/36/38/82/889363882.db2.gz KCSMGGDFCQEASK-SECBINFHSA-N 0 3 281.378 -1.382 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001403750566 889364404 /nfs/dbraw/zinc/36/44/04/889364404.db2.gz NIWOBRXJYLPVMS-HTQZYQBOSA-N 0 3 292.361 -2.400 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001403750593 889366221 /nfs/dbraw/zinc/36/62/21/889366221.db2.gz NIWOBRXJYLPVMS-SFYZADRCSA-N 0 3 292.361 -2.400 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C ZINC001403759765 889366319 /nfs/dbraw/zinc/36/63/19/889366319.db2.gz ZTJPEHFYJHAUET-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCCC(N)=O ZINC001403760240 889366955 /nfs/dbraw/zinc/36/69/55/889366955.db2.gz VBBODJRMVHJRMX-BDAKNGLRSA-N 0 3 270.333 -1.294 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@H]1C ZINC001403745043 889366984 /nfs/dbraw/zinc/36/69/84/889366984.db2.gz LNFKJDTWXILJJW-JOYOIKCWSA-N 0 3 296.371 -1.210 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)Cn2cnnn2)C1 ZINC001403748867 889367079 /nfs/dbraw/zinc/36/70/79/889367079.db2.gz PRHRWPFRZVMVOP-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H]1C[C@H](NCC(=O)NC(N)=O)CN1C(=O)c1ncc[nH]1 ZINC001403754406 889367267 /nfs/dbraw/zinc/36/72/67/889367267.db2.gz NLXSVDMSYNHWNN-YUMQZZPRSA-N 0 3 294.315 -1.203 20 0 CAADHN CCN(CCNC(=O)[C@H]1CCCN1C)CC(=O)NC(N)=O ZINC001403816645 889369084 /nfs/dbraw/zinc/36/90/84/889369084.db2.gz IOUIUIOPBKIPJV-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cscn1 ZINC001403834023 889369263 /nfs/dbraw/zinc/36/92/63/889369263.db2.gz RVCPSMIZCUAKHO-QMMMGPOBSA-N 0 3 286.357 -1.088 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001403826674 889369373 /nfs/dbraw/zinc/36/93/73/889369373.db2.gz BXQQISQFNPGMFV-RKDXNWHRSA-N 0 3 288.348 -2.205 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1ccon1 ZINC001403821322 889370233 /nfs/dbraw/zinc/37/02/33/889370233.db2.gz FGJYSKPBGHNOHE-SECBINFHSA-N 0 3 284.316 -1.215 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001403822202 889370504 /nfs/dbraw/zinc/37/05/04/889370504.db2.gz ISZNQMZOARXOOU-JGVFFNPUSA-N 0 3 289.336 -2.802 20 0 CAADHN COCCC(=O)N(C)C[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001403832591 889370532 /nfs/dbraw/zinc/37/05/32/889370532.db2.gz RONPXKJRGKGGBE-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C1CCOCC1 ZINC001403832622 889371247 /nfs/dbraw/zinc/37/12/47/889371247.db2.gz RPKYJAXOKWCFEP-RYUDHWBXSA-N 0 3 299.371 -1.290 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)C(C)(F)F ZINC001403828973 889371361 /nfs/dbraw/zinc/37/13/61/889371361.db2.gz NFMJGPMVBNRDSZ-ZCFIWIBFSA-N 0 3 296.274 -1.755 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cscn1 ZINC001403822663 889371582 /nfs/dbraw/zinc/37/15/82/889371582.db2.gz DSWRPAYMLKSMCX-SSDOTTSWSA-N 0 3 272.330 -1.349 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNCC(=O)N1CCCC1 ZINC001403821200 889371930 /nfs/dbraw/zinc/37/19/30/889371930.db2.gz ANUUKQBVXDGCFJ-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCOCC1)C(=O)C1CC1 ZINC001403830920 889372121 /nfs/dbraw/zinc/37/21/21/889372121.db2.gz PEEVTDVKVQUBDF-GFCCVEGCSA-N 0 3 299.371 -1.336 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cn(C)cn1)C(N)=O ZINC001403839755 889373541 /nfs/dbraw/zinc/37/35/41/889373541.db2.gz LQAJEODWACXUJF-DTWKUNHWSA-N 0 3 283.332 -1.684 20 0 CAADHN CCn1ncc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001403837504 889373641 /nfs/dbraw/zinc/37/36/41/889373641.db2.gz HWKYPCPBIMOWLD-IUCAKERBSA-N 0 3 298.347 -1.806 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cn(C)cn1)C(N)=O ZINC001403839759 889373793 /nfs/dbraw/zinc/37/37/93/889373793.db2.gz LQAJEODWACXUJF-IUCAKERBSA-N 0 3 283.332 -1.684 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001403847673 889374017 /nfs/dbraw/zinc/37/40/17/889374017.db2.gz UGOXDJLTASZXIA-BDAKNGLRSA-N 0 3 283.332 -1.386 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](O)CNCC(N)=O)[nH]1 ZINC001403844900 889374119 /nfs/dbraw/zinc/37/41/19/889374119.db2.gz QGJPQXJCSBRJLU-MRVPVSSYSA-N 0 3 284.320 -2.450 20 0 CAADHN CCn1ncc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001403837463 889374259 /nfs/dbraw/zinc/37/42/59/889374259.db2.gz HWKYPCPBIMOWLD-BDAKNGLRSA-N 0 3 298.347 -1.806 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1cocn1 ZINC001403841267 889374625 /nfs/dbraw/zinc/37/46/25/889374625.db2.gz ZKAHQLYWLJUKRR-NXEZZACHSA-N 0 3 296.327 -1.072 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)[nH]1 ZINC001403844901 889374664 /nfs/dbraw/zinc/37/46/64/889374664.db2.gz QGJPQXJCSBRJLU-QMMMGPOBSA-N 0 3 284.320 -2.450 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cnns1)C(N)=O ZINC001403838714 889374707 /nfs/dbraw/zinc/37/47/07/889374707.db2.gz XMFAZAOOSPNJIQ-NKWVEPMBSA-N 0 3 287.345 -1.566 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001403847196 889374798 /nfs/dbraw/zinc/37/47/98/889374798.db2.gz RPMDDGUZNFDXBR-JGVFFNPUSA-N 0 3 288.304 -2.750 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cnns1)C(N)=O ZINC001403838735 889374929 /nfs/dbraw/zinc/37/49/29/889374929.db2.gz XMFAZAOOSPNJIQ-RQJHMYQMSA-N 0 3 287.345 -1.566 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cn(C)cn1 ZINC001403839730 889375062 /nfs/dbraw/zinc/37/50/62/889375062.db2.gz LMRCNMWYBJDAEB-VHSXEESVSA-N 0 3 295.343 -1.669 20 0 CAADHN CCN(CCNC(=O)c1cn(C)nn1)C[C@H](O)COC ZINC001403847363 889375150 /nfs/dbraw/zinc/37/51/50/889375150.db2.gz HKSLNWCDXJMRJX-JTQLQIEISA-N 0 3 285.348 -1.126 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001403843912 889375187 /nfs/dbraw/zinc/37/51/87/889375187.db2.gz JAJNBAQSCPUAHH-BDAKNGLRSA-N 0 3 286.332 -2.641 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ccncc1)C(N)=O ZINC001403837543 889375202 /nfs/dbraw/zinc/37/52/02/889375202.db2.gz YPQAIFBDOXMULJ-GXSJLCMTSA-N 0 3 280.328 -1.022 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)[nH]1 ZINC001403841122 889375367 /nfs/dbraw/zinc/37/53/67/889375367.db2.gz KKKSRQVOXZGNJQ-VXNVDRBHSA-N 0 3 298.347 -2.062 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)[C@@H]1CCCO1 ZINC001403839350 889375469 /nfs/dbraw/zinc/37/54/69/889375469.db2.gz YWDVJUGRJNGAOU-NEPJUHHUSA-N 0 3 299.371 -1.147 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccnn1C)C(N)=O ZINC001403841364 889375684 /nfs/dbraw/zinc/37/56/84/889375684.db2.gz ZRLRFSRJRURGGA-NXEZZACHSA-N 0 3 297.359 -1.294 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccn(C)c1 ZINC001403845129 889376212 /nfs/dbraw/zinc/37/62/12/889376212.db2.gz VMQSNUAXUMOPHM-NSHDSACASA-N 0 3 282.344 -1.206 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cn(C)cn1 ZINC001403839727 889376384 /nfs/dbraw/zinc/37/63/84/889376384.db2.gz LMRCNMWYBJDAEB-UWVGGRQHSA-N 0 3 295.343 -1.669 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001403862632 889377946 /nfs/dbraw/zinc/37/79/46/889377946.db2.gz AUDRMPFYGFOQIT-UWVGGRQHSA-N 0 3 295.343 -1.750 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1[nH]c(C)nc1C ZINC001403863975 889378256 /nfs/dbraw/zinc/37/82/56/889378256.db2.gz QCWWJHCIDITWRJ-SNVBAGLBSA-N 0 3 297.359 -1.205 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1[nH]c(C)nc1C ZINC001403863970 889378353 /nfs/dbraw/zinc/37/83/53/889378353.db2.gz QCWWJHCIDITWRJ-JTQLQIEISA-N 0 3 297.359 -1.205 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1cccnc1 ZINC001403851445 889378765 /nfs/dbraw/zinc/37/87/65/889378765.db2.gz DWYWXGPJKJUZLU-LBPRGKRZSA-N 0 3 294.355 -1.092 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001403862635 889378584 /nfs/dbraw/zinc/37/85/84/889378584.db2.gz AUDRMPFYGFOQIT-VHSXEESVSA-N 0 3 295.343 -1.750 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cncn1C ZINC001403853411 889378817 /nfs/dbraw/zinc/37/88/17/889378817.db2.gz HZHDDXGKOZHJEI-JTQLQIEISA-N 0 3 297.359 -1.469 20 0 CAADHN Cc1conc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001403866303 889379270 /nfs/dbraw/zinc/37/92/70/889379270.db2.gz DJHOVTZHWOUBPT-IUCAKERBSA-N 0 3 284.316 -1.121 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1n[nH]cc1F ZINC001403864777 889380329 /nfs/dbraw/zinc/38/03/29/889380329.db2.gz DRUAOFIZZGEPJY-ZCFIWIBFSA-N 0 3 273.268 -1.943 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001403851279 889380445 /nfs/dbraw/zinc/38/04/45/889380445.db2.gz WNCQSGFLJYXFOW-MRVPVSSYSA-N 0 3 289.336 -2.800 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001403866321 889380911 /nfs/dbraw/zinc/38/09/11/889380911.db2.gz ITKYLYIJTQGNHJ-VIFPVBQESA-N 0 3 281.316 -1.755 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1csnn1)C(N)=O ZINC001403859324 889381143 /nfs/dbraw/zinc/38/11/43/889381143.db2.gz MWJDLOPOEFLJOV-BQBZGAKWSA-N 0 3 287.345 -1.566 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cc1cnc[nH]1)C(N)=O ZINC001403885317 889383272 /nfs/dbraw/zinc/38/32/72/889383272.db2.gz XYKUTEYZHPCCIS-WPRPVWTQSA-N 0 3 283.332 -1.765 20 0 CAADHN COc1ncc(C(=O)N(C)C[C@H](O)CN(C)CCO)cn1 ZINC001403892682 889383448 /nfs/dbraw/zinc/38/34/48/889383448.db2.gz ITTKGSNBEZTVKD-LLVKDONJSA-N 0 3 298.343 -1.158 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cnn2cc[nH]c12 ZINC001403878968 889384194 /nfs/dbraw/zinc/38/41/94/889384194.db2.gz WWXMCGIVNOWNNJ-MRVPVSSYSA-N 0 3 294.315 -1.830 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001403892166 889384240 /nfs/dbraw/zinc/38/42/40/889384240.db2.gz ILFGYJBFGMZTAL-WDEREUQCSA-N 0 3 287.360 -1.744 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403898357 889384340 /nfs/dbraw/zinc/38/43/40/889384340.db2.gz GAMXNUGMFUFZJE-ZJUUUORDSA-N 0 3 273.333 -1.992 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)Cc1cnc[nH]1 ZINC001403884140 889384378 /nfs/dbraw/zinc/38/43/78/889384378.db2.gz VWOGEBJFABEZSM-WDEREUQCSA-N 0 3 295.343 -1.750 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001403890714 889384595 /nfs/dbraw/zinc/38/45/95/889384595.db2.gz XGUQHMMQNHQLKT-ZETCQYMHSA-N 0 3 271.277 -2.114 20 0 CAADHN CN(CC(N)=O)C[C@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001403898373 889385217 /nfs/dbraw/zinc/38/52/17/889385217.db2.gz QLANZDYUHAOWSZ-WDEREUQCSA-N 0 3 286.376 -1.683 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001403876581 889386428 /nfs/dbraw/zinc/38/64/28/889386428.db2.gz ZDHGCFXGUYIDID-YUMQZZPRSA-N 0 3 299.331 -1.978 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cn1cncn1 ZINC001403878642 889386522 /nfs/dbraw/zinc/38/65/22/889386522.db2.gz WDKYFCBCWLJQHA-MRVPVSSYSA-N 0 3 270.293 -2.828 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1ccncn1)C(N)=O ZINC001403877230 889386858 /nfs/dbraw/zinc/38/68/58/889386858.db2.gz SUEURXRMQQJZHV-IUCAKERBSA-N 0 3 281.316 -1.627 20 0 CAADHN CCn1nc(C)c(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001403880316 889387119 /nfs/dbraw/zinc/38/71/19/889387119.db2.gz MCAAQZWZNLJSEI-VIFPVBQESA-N 0 3 298.347 -1.886 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)Cc1cnc[nH]1 ZINC001403884124 889387277 /nfs/dbraw/zinc/38/72/77/889387277.db2.gz VWOGEBJFABEZSM-GHMZBOCLSA-N 0 3 295.343 -1.750 20 0 CAADHN Cc1c(C(=O)N(C)C[C@@H](O)CN(C)CCO)nnn1C ZINC001403918881 889389494 /nfs/dbraw/zinc/38/94/94/889389494.db2.gz UOAFICWEEIOVMA-JTQLQIEISA-N 0 3 285.348 -1.519 20 0 CAADHN C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001403909559 889389944 /nfs/dbraw/zinc/38/99/44/889389944.db2.gz XQNWBPRHSMGZDL-DTWKUNHWSA-N 0 3 271.321 -1.450 20 0 CAADHN C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001403909559 889389950 /nfs/dbraw/zinc/38/99/50/889389950.db2.gz XQNWBPRHSMGZDL-DTWKUNHWSA-N 0 3 271.321 -1.450 20 0 CAADHN CN(CC(=O)NC[C@H]1CCCN1CCO)S(C)(=O)=O ZINC001403988030 889390211 /nfs/dbraw/zinc/39/02/11/889390211.db2.gz OLKFFKYVAYSTLE-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001403981516 889390291 /nfs/dbraw/zinc/39/02/91/889390291.db2.gz FXWLXXRCYBHQRL-YUMQZZPRSA-N 0 3 285.348 -1.726 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001403981498 889391414 /nfs/dbraw/zinc/39/14/14/889391414.db2.gz FXWLXXRCYBHQRL-JGVFFNPUSA-N 0 3 285.348 -1.726 20 0 CAADHN C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001403909561 889392701 /nfs/dbraw/zinc/39/27/01/889392701.db2.gz XQNWBPRHSMGZDL-RKDXNWHRSA-N 0 3 271.321 -1.450 20 0 CAADHN C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001403909561 889392711 /nfs/dbraw/zinc/39/27/11/889392711.db2.gz XQNWBPRHSMGZDL-RKDXNWHRSA-N 0 3 271.321 -1.450 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001403981491 889392960 /nfs/dbraw/zinc/39/29/60/889392960.db2.gz FXWLXXRCYBHQRL-HTQZYQBOSA-N 0 3 285.348 -1.726 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CCNC(N)=O ZINC001404336938 889404823 /nfs/dbraw/zinc/40/48/23/889404823.db2.gz FIDFQJHOYKOEDL-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001404030312 889396706 /nfs/dbraw/zinc/39/67/06/889396706.db2.gz VDTDBZQOFZXZFM-NXEZZACHSA-N 0 3 275.349 -1.759 20 0 CAADHN CNC(=O)CN1CC[C@@H](CNC(=O)CCc2cn[nH]n2)C1 ZINC001404082426 889396811 /nfs/dbraw/zinc/39/68/11/889396811.db2.gz OGSNHXHLCGGHCY-JTQLQIEISA-N 0 3 294.359 -1.079 20 0 CAADHN CNC(=O)CN1CC[C@@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001404082426 889396822 /nfs/dbraw/zinc/39/68/22/889396822.db2.gz OGSNHXHLCGGHCY-JTQLQIEISA-N 0 3 294.359 -1.079 20 0 CAADHN CN(C)C(=O)CN1CC[C@@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001404097259 889397116 /nfs/dbraw/zinc/39/71/16/889397116.db2.gz MZUSVOJOKZUREQ-JTQLQIEISA-N 0 3 294.359 -1.127 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001404030317 889397663 /nfs/dbraw/zinc/39/76/63/889397663.db2.gz VDTDBZQOFZXZFM-UWVGGRQHSA-N 0 3 275.349 -1.759 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001404035208 889398505 /nfs/dbraw/zinc/39/85/05/889398505.db2.gz VDTDBZQOFZXZFM-VHSXEESVSA-N 0 3 275.349 -1.759 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001404300118 889400618 /nfs/dbraw/zinc/40/06/18/889400618.db2.gz NQSJYLIQJWONEV-MRVPVSSYSA-N 0 3 279.362 -1.657 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCCN(CCCO)C1CC1 ZINC001404259545 889400656 /nfs/dbraw/zinc/40/06/56/889400656.db2.gz OKKIEALLPXWCPK-UHFFFAOYSA-N 0 3 298.387 -1.619 20 0 CAADHN O=C(CN1CCOCC1=O)NCCN(CCCO)C1CC1 ZINC001404240930 889401846 /nfs/dbraw/zinc/40/18/46/889401846.db2.gz KYIYQQZMVAQEFI-UHFFFAOYSA-N 0 3 299.371 -1.192 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001404333510 889403272 /nfs/dbraw/zinc/40/32/72/889403272.db2.gz YNDUYAPJSGXHIO-BDAKNGLRSA-N 0 3 283.332 -2.054 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)c1ncc[nH]1 ZINC001404322540 889403143 /nfs/dbraw/zinc/40/31/43/889403143.db2.gz NHJXYYJAZVUXEL-QMMMGPOBSA-N 0 3 296.331 -1.085 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001404312462 889403243 /nfs/dbraw/zinc/40/32/43/889403243.db2.gz FRCJHPOJKCDGGF-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCOC1)C(=O)NC(N)=O ZINC001404320406 889403373 /nfs/dbraw/zinc/40/33/73/889403373.db2.gz JTQVBACPHBBZIC-DTWKUNHWSA-N 0 3 286.332 -1.346 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001404316704 889403445 /nfs/dbraw/zinc/40/34/45/889403445.db2.gz HPMCYXDERGXXBT-SECBINFHSA-N 0 3 285.348 -1.806 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1)C(=O)NC(N)=O ZINC001404307998 889403545 /nfs/dbraw/zinc/40/35/45/889403545.db2.gz BCFHXXKQVUIGOX-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)CCNC(N)=O ZINC001404338592 889403580 /nfs/dbraw/zinc/40/35/80/889403580.db2.gz INPLRVLJRBTFOO-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)C[C@H]1CCNC1=O)C(N)=O ZINC001404306485 889403877 /nfs/dbraw/zinc/40/38/77/889403877.db2.gz FIIGLSVLTFHZOJ-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CN1CCNC(=O)C1 ZINC001404331527 889403941 /nfs/dbraw/zinc/40/39/41/889403941.db2.gz VUDJPAUDWRCVRZ-JTQLQIEISA-N 0 3 297.359 -2.645 20 0 CAADHN C[C@H](NCCN(C)C(=O)C1=CCOCC1)C(=O)NC(N)=O ZINC001404324598 889404061 /nfs/dbraw/zinc/40/40/61/889404061.db2.gz OSMQGKOHLLXPME-VIFPVBQESA-N 0 3 298.343 -1.036 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)[C@H]2COC(=O)N2)C1=O ZINC001404306521 889404492 /nfs/dbraw/zinc/40/44/92/889404492.db2.gz ALIBQDCBSLSKDU-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1)C(N)=O ZINC001404319845 889404645 /nfs/dbraw/zinc/40/46/45/889404645.db2.gz GSGALPXAMHUXCQ-JGVFFNPUSA-N 0 3 292.361 -2.400 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001404331972 889404798 /nfs/dbraw/zinc/40/47/98/889404798.db2.gz UFQKMWPPNVAOFT-MRVPVSSYSA-N 0 3 279.300 -1.680 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001404338612 889404846 /nfs/dbraw/zinc/40/48/46/889404846.db2.gz ISJQTMVCBPAEIJ-SECBINFHSA-N 0 3 295.343 -1.294 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1)C(N)=O ZINC001404319837 889404941 /nfs/dbraw/zinc/40/49/41/889404941.db2.gz GSGALPXAMHUXCQ-HTQZYQBOSA-N 0 3 292.361 -2.400 20 0 CAADHN CC[C@H](NCCN(C)C(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001404338614 889404970 /nfs/dbraw/zinc/40/49/70/889404970.db2.gz ISJQTMVCBPAEIJ-VIFPVBQESA-N 0 3 295.343 -1.294 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1)C(=O)N(C)C ZINC001404312933 889405039 /nfs/dbraw/zinc/40/50/39/889405039.db2.gz FHOXVURPOVVBEK-NXEZZACHSA-N 0 3 299.375 -1.465 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cccc(=O)n1C ZINC001404334286 889405209 /nfs/dbraw/zinc/40/52/09/889405209.db2.gz WPCOYWIZOVIKEB-SNVBAGLBSA-N 0 3 292.339 -1.065 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1ccccc1=O)C(N)=O ZINC001404348975 889405222 /nfs/dbraw/zinc/40/52/22/889405222.db2.gz YJQDJGCAEYYZTC-JTQLQIEISA-N 0 3 280.328 -1.230 20 0 CAADHN C[C@H](NCCN(C)C(=O)CS(=O)(=O)N(C)C)C(N)=O ZINC001404337096 889405267 /nfs/dbraw/zinc/40/52/67/889405267.db2.gz GECYXBJPHAPHTR-QMMMGPOBSA-N 0 3 294.377 -2.200 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)COC ZINC001404304643 889405284 /nfs/dbraw/zinc/40/52/84/889405284.db2.gz RJASVYQVEJEJJR-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@H](CC(=O)N(C)CCN[C@@H](C)C(N)=O)NC(N)=O ZINC001404332716 889405298 /nfs/dbraw/zinc/40/52/98/889405298.db2.gz WKULUXUIEDBGFW-SFYZADRCSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1)C(=O)N(C)C ZINC001404312962 889405507 /nfs/dbraw/zinc/40/55/07/889405507.db2.gz FHOXVURPOVVBEK-UWVGGRQHSA-N 0 3 299.375 -1.465 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@H](C)NC(N)=O)C(N)=O ZINC001404332712 889405748 /nfs/dbraw/zinc/40/57/48/889405748.db2.gz WKULUXUIEDBGFW-JGVFFNPUSA-N 0 3 273.337 -1.645 20 0 CAADHN CNC(=O)NCC(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001404620682 889407761 /nfs/dbraw/zinc/40/77/61/889407761.db2.gz UFVMJWNKBMMFLW-UHFFFAOYSA-N 0 3 299.375 -1.429 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001404431988 889407980 /nfs/dbraw/zinc/40/79/80/889407980.db2.gz CVZCEWTWVJZZNQ-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001404567806 889409891 /nfs/dbraw/zinc/40/98/91/889409891.db2.gz KAMBINAIRFSDBB-MWLCHTKSSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCCN(C[C@@H](C)O)C1 ZINC001404668429 889411106 /nfs/dbraw/zinc/41/11/06/889411106.db2.gz ALLAAOGBCOLSJJ-NXEZZACHSA-N 0 3 272.349 -1.123 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CN(CC(=O)NC(N)=O)C1 ZINC001404843693 889418135 /nfs/dbraw/zinc/41/81/35/889418135.db2.gz TYNBARJLCMXVQQ-UHFFFAOYSA-N 0 3 294.315 -1.744 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001404923297 889420515 /nfs/dbraw/zinc/42/05/15/889420515.db2.gz FFWWCMSKCDRWSC-MRVPVSSYSA-N 0 3 296.331 -2.194 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001404906411 889420690 /nfs/dbraw/zinc/42/06/90/889420690.db2.gz MLJUBEBYFQSQRW-JTQLQIEISA-N 0 3 298.343 -1.205 20 0 CAADHN COC[C@@H](C)N1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001404906034 889421718 /nfs/dbraw/zinc/42/17/18/889421718.db2.gz WHXHNYDHIFBNFN-LLVKDONJSA-N 0 3 298.387 -1.499 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001404886238 889421840 /nfs/dbraw/zinc/42/18/40/889421840.db2.gz ITFGFXUKJOFMMM-VXGBXAGGSA-N 0 3 299.371 -1.432 20 0 CAADHN CNS(=O)(=O)CC(=O)NCC1CN(C[C@H](C)O)C1 ZINC001404928137 889421856 /nfs/dbraw/zinc/42/18/56/889421856.db2.gz ASRMCZHWPXCCQA-QMMMGPOBSA-N 0 3 279.362 -2.036 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001404923301 889421961 /nfs/dbraw/zinc/42/19/61/889421961.db2.gz FFWWCMSKCDRWSC-QMMMGPOBSA-N 0 3 296.331 -2.194 20 0 CAADHN CCCN1C[C@@H]2C[C@H]1CN2C(=O)CNC(=O)CNC(C)=O ZINC001404955605 889422401 /nfs/dbraw/zinc/42/24/01/889422401.db2.gz BPNCCSPJACAMSV-RYUDHWBXSA-N 0 3 296.371 -1.066 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001405049956 889423746 /nfs/dbraw/zinc/42/37/46/889423746.db2.gz CMFXQKUTEDNHGQ-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001405017807 889423762 /nfs/dbraw/zinc/42/37/62/889423762.db2.gz LMUCCNHLXRRHIG-WOPDTQHZSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001404991622 889423965 /nfs/dbraw/zinc/42/39/65/889423965.db2.gz VUNYOKSSUIPHTD-RYUDHWBXSA-N 0 3 299.371 -1.290 20 0 CAADHN NC(=O)NC(=O)CN1CC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001405027231 889424953 /nfs/dbraw/zinc/42/49/53/889424953.db2.gz FJXZFOCEMTZZQM-LURJTMIESA-N 0 3 298.278 -1.452 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001405100276 889427693 /nfs/dbraw/zinc/42/76/93/889427693.db2.gz MTAJLEAAHORKKY-QJPTWQEYSA-N 0 3 299.371 -1.195 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001405100283 889428345 /nfs/dbraw/zinc/42/83/45/889428345.db2.gz MTAJLEAAHORKKY-SDDRHHMPSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001405147468 889429273 /nfs/dbraw/zinc/42/92/73/889429273.db2.gz YIUFWKQTKQITRL-ZJUUUORDSA-N 0 3 293.389 -1.551 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@@H]1CCN(CCO)C1)C(N)=O ZINC001405093068 889429468 /nfs/dbraw/zinc/42/94/68/889429468.db2.gz PBCZMJVJTOMSSG-ZJUUUORDSA-N 0 3 286.332 -2.451 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCOC1)NCC(=O)NC(N)=O ZINC001405197540 889432312 /nfs/dbraw/zinc/43/23/12/889432312.db2.gz MBKFDVXLKRUMDP-DTWKUNHWSA-N 0 3 286.332 -1.298 20 0 CAADHN COCCC(=O)NC[C@H](CO)NC(=O)Cc1nc[nH]c1C ZINC001405194713 889432099 /nfs/dbraw/zinc/43/20/99/889432099.db2.gz VAUOFPXSVPVWNF-SNVBAGLBSA-N 0 3 298.343 -1.110 20 0 CAADHN COCCC(=O)NC[C@@H](CO)NC(=O)Cc1nc[nH]c1C ZINC001405194710 889432522 /nfs/dbraw/zinc/43/25/22/889432522.db2.gz VAUOFPXSVPVWNF-JTQLQIEISA-N 0 3 298.343 -1.110 20 0 CAADHN CC[C@@H](CNC(=O)CNC(C)=O)N[C@@H](C)C(=O)NC ZINC001405197174 889432575 /nfs/dbraw/zinc/43/25/75/889432575.db2.gz QMSXAAAETYWLDM-WPRPVWTQSA-N 0 3 272.349 -1.259 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)C1CC1)N[C@@H]1CCNC1=O ZINC001405203902 889434966 /nfs/dbraw/zinc/43/49/66/889434966.db2.gz NXIQNQJKJATVAG-WDEREUQCSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@H](CNC(=O)CNC(C)=O)NCC(=O)N1CCC1 ZINC001405205227 889435133 /nfs/dbraw/zinc/43/51/33/889435133.db2.gz ZFWBMBKFSDJFMS-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)C1CC1)N[C@H]1CCNC1=O ZINC001405203889 889435272 /nfs/dbraw/zinc/43/52/72/889435272.db2.gz NXIQNQJKJATVAG-QWRGUYRKSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@@H](CNC(=O)C[C@H]1COC(=O)C1)NCC(N)=O ZINC001405208356 889435306 /nfs/dbraw/zinc/43/53/06/889435306.db2.gz CTSCGYUZMOCCPA-BDAKNGLRSA-N 0 3 271.317 -1.091 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)N(C)C ZINC001405223815 889436868 /nfs/dbraw/zinc/43/68/68/889436868.db2.gz MXFLBLJJZAJNFB-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CC[C@@H](CNC(=O)CS(C)(=O)=O)N[C@H]1CCNC1=O ZINC001405213095 889437805 /nfs/dbraw/zinc/43/78/05/889437805.db2.gz YCGLASIEZAHMJB-IUCAKERBSA-N 0 3 291.373 -1.596 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)[C@H](C)NC(N)=O ZINC001405231380 889439230 /nfs/dbraw/zinc/43/92/30/889439230.db2.gz XHYRLPFFJIGXLC-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCCNC1=O)N[C@@H](C)C(N)=O ZINC001405266239 889442651 /nfs/dbraw/zinc/44/26/51/889442651.db2.gz MLWCWFARCBUZOU-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@H](CNC(=O)c1ccn(C)c(=O)c1)NCC(N)=O ZINC001405248399 889442782 /nfs/dbraw/zinc/44/27/82/889442782.db2.gz AZFMWYLEOXTYOS-SNVBAGLBSA-N 0 3 280.328 -1.031 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCCNC1=O)N[C@H](C)C(N)=O ZINC001405266255 889443431 /nfs/dbraw/zinc/44/34/31/889443431.db2.gz MLWCWFARCBUZOU-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001405294421 889445887 /nfs/dbraw/zinc/44/58/87/889445887.db2.gz BQYOVTLWFIBFKV-AEJSXWLSSA-N 0 3 284.360 -1.272 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)N[C@H](C)C(=O)N(C)C ZINC001405275027 889446227 /nfs/dbraw/zinc/44/62/27/889446227.db2.gz DCZZXHXCLQJXSA-RKDXNWHRSA-N 0 3 297.363 -1.215 20 0 CAADHN CC[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)NCC(=O)NC ZINC001405302097 889446521 /nfs/dbraw/zinc/44/65/21/889446521.db2.gz QXPLWQTYYHVMJD-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)NCC(N)=O ZINC001405289637 889446809 /nfs/dbraw/zinc/44/68/09/889446809.db2.gz AIGOFSFQYVHODN-IUCAKERBSA-N 0 3 270.333 -1.375 20 0 CAADHN CC[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)NCC(=O)NC ZINC001405302095 889446901 /nfs/dbraw/zinc/44/69/01/889446901.db2.gz QXPLWQTYYHVMJD-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)NCC(=O)NC ZINC001405302092 889447174 /nfs/dbraw/zinc/44/71/74/889447174.db2.gz QXPLWQTYYHVMJD-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)N[C@@H](C)C(=O)N(C)C ZINC001405275011 889447254 /nfs/dbraw/zinc/44/72/54/889447254.db2.gz DCZZXHXCLQJXSA-DTWKUNHWSA-N 0 3 297.363 -1.215 20 0 CAADHN CC[C@H](CNC(=O)C[C@H]1CCC(=O)N1)NCC(N)=O ZINC001405289650 889447494 /nfs/dbraw/zinc/44/74/94/889447494.db2.gz AIGOFSFQYVHODN-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN COCC(=O)N[C@H](CO)CNC(=O)[C@H](C(C)C)N(C)C ZINC001405330727 889448703 /nfs/dbraw/zinc/44/87/03/889448703.db2.gz BBIDLTCWMRHIGR-JQWIXIFHSA-N 0 3 289.376 -1.188 20 0 CAADHN COCC(=O)N[C@@H](CO)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001405330738 889449147 /nfs/dbraw/zinc/44/91/47/889449147.db2.gz BBIDLTCWMRHIGR-ZYHUDNBSSA-N 0 3 289.376 -1.188 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@H](C)OC)N(C)C ZINC001405305797 889449424 /nfs/dbraw/zinc/44/94/24/889449424.db2.gz FQAMVROHCGZDQE-GARJFASQSA-N 0 3 289.376 -1.045 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(N)=O)NCC(=O)N1CCC1 ZINC001405337423 889449576 /nfs/dbraw/zinc/44/95/76/889449576.db2.gz JNAFRFXJSPSHIK-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN CC[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)NCC(=O)NC ZINC001405341645 889450212 /nfs/dbraw/zinc/45/02/12/889450212.db2.gz IUFXOYXJAUBRPK-VIFPVBQESA-N 0 3 295.343 -1.042 20 0 CAADHN CC[C@H](CNC(=O)CCNC(N)=O)N[C@@H]1CCNC1=O ZINC001405347896 889452440 /nfs/dbraw/zinc/45/24/40/889452440.db2.gz XEZNCSNFWPCWJR-RKDXNWHRSA-N 0 3 285.348 -1.582 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2c[nH]c(=O)cn2)CCCC1 ZINC001405413344 889455664 /nfs/dbraw/zinc/45/56/64/889455664.db2.gz XJCFXVXVMDKGRG-UHFFFAOYSA-N 0 3 293.327 -1.113 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001405609061 889461865 /nfs/dbraw/zinc/46/18/65/889461865.db2.gz SBBACZUTYVXRRX-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001405599551 889462060 /nfs/dbraw/zinc/46/20/60/889462060.db2.gz WCCCVXHRWSRBAP-MXWKQRLJSA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CCNC(=O)NC ZINC001405584020 889462534 /nfs/dbraw/zinc/46/25/34/889462534.db2.gz XEWBAORDZVGUFD-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cn2cnnn2)CCCC1 ZINC001405751206 889466486 /nfs/dbraw/zinc/46/64/86/889466486.db2.gz NVMNYMBCILBGQJ-UHFFFAOYSA-N 0 3 281.320 -1.823 20 0 CAADHN CC[C@@H](NC[C@@H](C)N(C)C(=O)CNC(C)=O)C(N)=O ZINC001405790328 889467070 /nfs/dbraw/zinc/46/70/70/889467070.db2.gz USEQGKXSIRRRDQ-PSASIEDQSA-N 0 3 272.349 -1.177 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](C)CNCC(=O)N1CCC1 ZINC001405782149 889467289 /nfs/dbraw/zinc/46/72/89/889467289.db2.gz DXKXSYOXQZCIMH-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)COC(C)C ZINC001406221666 889489183 /nfs/dbraw/zinc/48/91/83/889489183.db2.gz UNCBVBXBARQHAF-ZJUUUORDSA-N 0 3 275.349 -1.387 20 0 CAADHN Cn1nnc(C(=O)NCC2(NCC(N)=O)CCCC2)n1 ZINC001405767959 889468402 /nfs/dbraw/zinc/46/84/02/889468402.db2.gz SZKYAEXORVAFKB-UHFFFAOYSA-N 0 3 281.320 -1.672 20 0 CAADHN NC(=O)C[NH2+]C1(CNC(=O)Cc2nnc[n-]2)CCCC1 ZINC001405776233 889469234 /nfs/dbraw/zinc/46/92/34/889469234.db2.gz WGHFEOLQJLBQJI-UHFFFAOYSA-N 0 3 280.332 -1.149 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001405875316 889470531 /nfs/dbraw/zinc/47/05/31/889470531.db2.gz OIDCVRUWSMCJLC-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@H](C)CN[C@H]1CCNC1=O ZINC001405809632 889470131 /nfs/dbraw/zinc/47/01/31/889470131.db2.gz QWVGGZDMZRFPKO-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN COCCn1cc(C(=O)N(C)[C@H](C)CNCC(N)=O)nn1 ZINC001405823945 889470456 /nfs/dbraw/zinc/47/04/56/889470456.db2.gz PGEZIJYFTMGKGZ-SECBINFHSA-N 0 3 298.347 -1.540 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CN1CCOCC1 ZINC001405819525 889470732 /nfs/dbraw/zinc/47/07/32/889470732.db2.gz PRXFYHGZEFWJJB-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)c1cnn(C)n1 ZINC001405875253 889470756 /nfs/dbraw/zinc/47/07/56/889470756.db2.gz OAMKCBJTNDJVPH-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001405851159 889470843 /nfs/dbraw/zinc/47/08/43/889470843.db2.gz IJXSTJCKFLAZSS-TVQRCGJNSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNC[C@H](CC(C)C)NC(=O)Cn1cnnn1 ZINC001405912722 889470983 /nfs/dbraw/zinc/47/09/83/889470983.db2.gz WFGQTBUARLGIGF-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN Cc1nc(C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O)c[nH]1 ZINC001405798516 889471074 /nfs/dbraw/zinc/47/10/74/889471074.db2.gz QHLFWZQKVCLDDH-SSDOTTSWSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001405851166 889471100 /nfs/dbraw/zinc/47/11/00/889471100.db2.gz IJXSTJCKFLAZSS-ZANVPECISA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)C1=CCOCC1 ZINC001405819668 889471395 /nfs/dbraw/zinc/47/13/95/889471395.db2.gz VRPZMFAMFZJJQI-VIFPVBQESA-N 0 3 298.343 -1.036 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001405912152 889471602 /nfs/dbraw/zinc/47/16/02/889471602.db2.gz APSRTGDTJLOVPU-BDAKNGLRSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccoc1CC(N)=O ZINC001405868230 889471671 /nfs/dbraw/zinc/47/16/71/889471671.db2.gz MNBPDVZYRHGXJF-MRVPVSSYSA-N 0 3 296.327 -1.157 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@@H](C)CNCC(=O)N(C)C)C1 ZINC001405801701 889471738 /nfs/dbraw/zinc/47/17/38/889471738.db2.gz GHDAVOUGWMGALZ-JTQLQIEISA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001405863224 889471768 /nfs/dbraw/zinc/47/17/68/889471768.db2.gz TUPRJPBGIAULSH-WYOJIJJFSA-N 0 3 298.343 -1.490 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)Cn1cnnn1 ZINC001405808803 889471810 /nfs/dbraw/zinc/47/18/10/889471810.db2.gz YQLJMKOLWBENLW-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)c1cnon1 ZINC001405868675 889472209 /nfs/dbraw/zinc/47/22/09/889472209.db2.gz OPDYGONYJXANNQ-ZETCQYMHSA-N 0 3 298.303 -1.425 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001405875314 889472247 /nfs/dbraw/zinc/47/22/47/889472247.db2.gz OIDCVRUWSMCJLC-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@@H](CC(C)C)NC(=O)Cn1cnnn1 ZINC001405912739 889473699 /nfs/dbraw/zinc/47/36/99/889473699.db2.gz WFGQTBUARLGIGF-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001406055363 889473900 /nfs/dbraw/zinc/47/39/00/889473900.db2.gz XDOQASICTNDKMC-IUCAKERBSA-N 0 3 285.348 -1.774 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)c1cnnn1C ZINC001406099728 889473932 /nfs/dbraw/zinc/47/39/32/889473932.db2.gz YCDXMYRZHGXDSJ-SNVBAGLBSA-N 0 3 285.348 -1.174 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001406081630 889474604 /nfs/dbraw/zinc/47/46/04/889474604.db2.gz RHYWQCSRLVZRSF-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(N)=O ZINC001406044809 889474879 /nfs/dbraw/zinc/47/48/79/889474879.db2.gz MLSVNWMNKAGVQK-VHSXEESVSA-N 0 3 284.360 -1.320 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001406055357 889475075 /nfs/dbraw/zinc/47/50/75/889475075.db2.gz XDOQASICTNDKMC-BDAKNGLRSA-N 0 3 285.348 -1.774 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)c1cnnn1C ZINC001406099727 889475760 /nfs/dbraw/zinc/47/57/60/889475760.db2.gz YCDXMYRZHGXDSJ-JTQLQIEISA-N 0 3 285.348 -1.174 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cc(C)no1 ZINC001406182340 889477436 /nfs/dbraw/zinc/47/74/36/889477436.db2.gz ITSIKDHVIMIPKE-DTWKUNHWSA-N 0 3 284.316 -1.202 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)no1 ZINC001406182021 889477524 /nfs/dbraw/zinc/47/75/24/889477524.db2.gz BBYIBNYCFSZGRV-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN CC(=O)CCCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001406178122 889477800 /nfs/dbraw/zinc/47/78/00/889477800.db2.gz DMJJFANYQNEOEC-MNOVXSKESA-N 0 3 285.344 -1.299 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnn(C)c1C)C(N)=O ZINC001406178010 889477711 /nfs/dbraw/zinc/47/77/11/889477711.db2.gz CRWBCFOYCBFIDH-GXSJLCMTSA-N 0 3 297.359 -1.327 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CNCC(=O)N(C)C)cnn1C ZINC001406191565 889477787 /nfs/dbraw/zinc/47/77/87/889477787.db2.gz UUOULOLQFAMJMB-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2ccc[nH]2)C1=O ZINC001406176871 889477993 /nfs/dbraw/zinc/47/79/93/889477993.db2.gz ALVNPXNORZNBJB-ONGXEEELSA-N 0 3 280.328 -1.074 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cc(C)on1 ZINC001406183709 889478074 /nfs/dbraw/zinc/47/80/74/889478074.db2.gz BZTHWHHCFCIVAR-IUCAKERBSA-N 0 3 284.316 -1.202 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCN(C)CCCO ZINC001406145173 889478103 /nfs/dbraw/zinc/47/81/03/889478103.db2.gz XXCPKLWGIFSVAS-SNVBAGLBSA-N 0 3 295.405 -1.303 20 0 CAADHN O=C(CCn1cncn1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001406182457 889478216 /nfs/dbraw/zinc/47/82/16/889478216.db2.gz DCFVUUZYIUFQIQ-UWVGGRQHSA-N 0 3 296.331 -2.377 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1CC1)NC[C@H]1CCOC1 ZINC001406189469 889478286 /nfs/dbraw/zinc/47/82/86/889478286.db2.gz IORPCPAXKBAASQ-PWSUYJOCSA-N 0 3 299.371 -1.384 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN(C)C[C@H](C)OC ZINC001406173747 889479103 /nfs/dbraw/zinc/47/91/03/889479103.db2.gz OJJJKXGHCUNVOT-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1CC1)NC[C@@H]1CCOC1 ZINC001406189457 889478327 /nfs/dbraw/zinc/47/83/27/889478327.db2.gz IORPCPAXKBAASQ-CMPLNLGQSA-N 0 3 299.371 -1.384 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnn(C)c1C)C(N)=O ZINC001406178012 889478517 /nfs/dbraw/zinc/47/85/17/889478517.db2.gz CRWBCFOYCBFIDH-KOLCDFICSA-N 0 3 297.359 -1.327 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001406186378 889478709 /nfs/dbraw/zinc/47/87/09/889478709.db2.gz FFYNUAKHUPSDOM-MRVPVSSYSA-N 0 3 297.315 -2.001 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1CCC1)N1CCOCC1 ZINC001406185122 889478835 /nfs/dbraw/zinc/47/88/35/889478835.db2.gz GDAZULRNAYGSFJ-LBPRGKRZSA-N 0 3 299.371 -1.288 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)on1 ZINC001406180656 889479071 /nfs/dbraw/zinc/47/90/71/889479071.db2.gz HDPGHDLBGBNUSG-SFYZADRCSA-N 0 3 270.289 -1.463 20 0 CAADHN CCC(=O)NC[C@H](O)CNCC(=O)N1CCO[C@@H](C)C1 ZINC001406187514 889479752 /nfs/dbraw/zinc/47/97/52/889479752.db2.gz IFKDPHDXMRARIL-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ccc[nH]2)C1=O ZINC001406176864 889479846 /nfs/dbraw/zinc/47/98/46/889479846.db2.gz ALVNPXNORZNBJB-MWLCHTKSSA-N 0 3 280.328 -1.074 20 0 CAADHN O=C(CCn1cncn1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001406182466 889479865 /nfs/dbraw/zinc/47/98/65/889479865.db2.gz DCFVUUZYIUFQIQ-ZJUUUORDSA-N 0 3 296.331 -2.377 20 0 CAADHN CCC(=O)NC[C@@H](O)CNCC(=O)N1CCO[C@H](C)C1 ZINC001406187509 889479913 /nfs/dbraw/zinc/47/99/13/889479913.db2.gz IFKDPHDXMRARIL-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001406201872 889480920 /nfs/dbraw/zinc/48/09/20/889480920.db2.gz BBKDHYZMNYIVSJ-SFYZADRCSA-N 0 3 283.292 -3.372 20 0 CAADHN CCCC(=O)NC[C@H](O)CNCC(=O)NC(=O)NCC ZINC001406196390 889481103 /nfs/dbraw/zinc/48/11/03/889481103.db2.gz VYTOHMJFGBDKAV-SECBINFHSA-N 0 3 288.348 -1.301 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)c1 ZINC001406201387 889481124 /nfs/dbraw/zinc/48/11/24/889481124.db2.gz BYSDNOIXNOMNKR-VXGBXAGGSA-N 0 3 294.355 -1.016 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001406203222 889481259 /nfs/dbraw/zinc/48/12/59/889481259.db2.gz SSJIMOBNLRMDFC-YUMQZZPRSA-N 0 3 285.308 -3.126 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001406198547 889481372 /nfs/dbraw/zinc/48/13/72/889481372.db2.gz BEPAPPRJXKPQMA-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001406197265 889481419 /nfs/dbraw/zinc/48/14/19/889481419.db2.gz PTDYJKHECKGULF-CABZTGNLSA-N 0 3 297.359 -1.489 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001406197304 889481811 /nfs/dbraw/zinc/48/18/11/889481811.db2.gz PTDYJKHECKGULF-SKDRFNHKSA-N 0 3 297.359 -1.489 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cccn1C ZINC001406192800 889482146 /nfs/dbraw/zinc/48/21/46/889482146.db2.gz RFUPUIYSDNWGAI-JTQLQIEISA-N 0 3 282.344 -1.206 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cocn1)NC1CC1 ZINC001406203864 889482170 /nfs/dbraw/zinc/48/21/70/889482170.db2.gz GARUXRIIRGPAON-VIFPVBQESA-N 0 3 282.300 -1.367 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001406199706 889482255 /nfs/dbraw/zinc/48/22/55/889482255.db2.gz CKPQHEHAJSXHEH-JTQLQIEISA-N 0 3 297.359 -1.075 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)c1 ZINC001406198856 889482337 /nfs/dbraw/zinc/48/23/37/889482337.db2.gz CRBBHOHLEBGRNP-IUCAKERBSA-N 0 3 281.316 -2.011 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CC1OCCCO1)C(N)=O ZINC001406203395 889482394 /nfs/dbraw/zinc/48/23/94/889482394.db2.gz GYOCEEIQNMRWQD-BDAKNGLRSA-N 0 3 289.332 -1.920 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnc(C)[nH]1)C(N)=O ZINC001406201930 889482662 /nfs/dbraw/zinc/48/26/62/889482662.db2.gz CULUCVFDCONIFW-BDAKNGLRSA-N 0 3 283.332 -1.338 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CC1OCCCO1)C(N)=O ZINC001406203524 889482781 /nfs/dbraw/zinc/48/27/81/889482781.db2.gz GYOCEEIQNMRWQD-DTWKUNHWSA-N 0 3 289.332 -1.920 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)CN(C)C(C)=O ZINC001406192648 889482944 /nfs/dbraw/zinc/48/29/44/889482944.db2.gz QFYGOZQUAFSFOD-JTQLQIEISA-N 0 3 288.348 -2.333 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001406201706 889482957 /nfs/dbraw/zinc/48/29/57/889482957.db2.gz BBKDHYZMNYIVSJ-HTQZYQBOSA-N 0 3 283.292 -3.372 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnn(C)c1N ZINC001406197456 889483008 /nfs/dbraw/zinc/48/30/08/889483008.db2.gz AHHCELBFVAOKBV-JGVFFNPUSA-N 0 3 298.347 -2.183 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)CCC1CC1 ZINC001406200878 889483189 /nfs/dbraw/zinc/48/31/89/889483189.db2.gz CSPKUVWBBJNAQY-VIFPVBQESA-N 0 3 286.332 -1.562 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001406198557 889483208 /nfs/dbraw/zinc/48/32/08/889483208.db2.gz BEPAPPRJXKPQMA-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001406199732 889483236 /nfs/dbraw/zinc/48/32/36/889483236.db2.gz CKPQHEHAJSXHEH-SNVBAGLBSA-N 0 3 297.359 -1.075 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2ccncc2)C1=O ZINC001406193285 889483303 /nfs/dbraw/zinc/48/33/03/889483303.db2.gz QTGZWOYTASDEMZ-NWDGAFQWSA-N 0 3 292.339 -1.007 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)[nH]1 ZINC001406203318 889483366 /nfs/dbraw/zinc/48/33/66/889483366.db2.gz FAUINLZCCXQRFK-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)c1 ZINC001406201378 889483410 /nfs/dbraw/zinc/48/34/10/889483410.db2.gz BYSDNOIXNOMNKR-NEPJUHHUSA-N 0 3 294.355 -1.016 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)CCC1CC1 ZINC001406200869 889483437 /nfs/dbraw/zinc/48/34/37/889483437.db2.gz CSPKUVWBBJNAQY-SECBINFHSA-N 0 3 286.332 -1.562 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1cc[nH]n1)C(N)=O ZINC001406214360 889484498 /nfs/dbraw/zinc/48/44/98/889484498.db2.gz OKTUJXNPRDXZEZ-ZJUUUORDSA-N 0 3 283.332 -1.717 20 0 CAADHN CO[C@H](C)CC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001406208889 889484656 /nfs/dbraw/zinc/48/46/56/889484656.db2.gz KAFPLUMUJQAQBH-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1ccon1 ZINC001406212669 889484750 /nfs/dbraw/zinc/48/47/50/889484750.db2.gz KTNZGXZHDXVOFW-BDAKNGLRSA-N 0 3 282.300 -1.367 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)C1=CCOCC1 ZINC001406212617 889484768 /nfs/dbraw/zinc/48/47/68/889484768.db2.gz MNRCWOUFADGFMO-NSHDSACASA-N 0 3 285.344 -1.464 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C(F)F)N1CCCC1 ZINC001406213881 889484789 /nfs/dbraw/zinc/48/47/89/889484789.db2.gz YIXLAVFXPIZGBD-QMMMGPOBSA-N 0 3 279.287 -1.059 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001406208537 889484863 /nfs/dbraw/zinc/48/48/63/889484863.db2.gz GOEXOYOMZFZDGC-IUCAKERBSA-N 0 3 295.343 -1.618 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccc(F)cn1 ZINC001406208461 889485044 /nfs/dbraw/zinc/48/50/44/889485044.db2.gz KEOTXLLEQMLOOK-MWLCHTKSSA-N 0 3 296.302 -1.211 20 0 CAADHN O=C(CCn1ccnn1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001406212192 889485115 /nfs/dbraw/zinc/48/51/15/889485115.db2.gz LPPAPSAVRNZYFM-UWVGGRQHSA-N 0 3 296.331 -2.377 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CN1CCOCC1 ZINC001406214003 889485134 /nfs/dbraw/zinc/48/51/34/889485134.db2.gz MNDAFPAXSIAGGC-VIFPVBQESA-N 0 3 274.321 -3.129 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1ccon1 ZINC001406212686 889485199 /nfs/dbraw/zinc/48/51/99/889485199.db2.gz KTNZGXZHDXVOFW-IUCAKERBSA-N 0 3 282.300 -1.367 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1cc[nH]n1)C(N)=O ZINC001406214347 889485281 /nfs/dbraw/zinc/48/52/81/889485281.db2.gz OKTUJXNPRDXZEZ-UWVGGRQHSA-N 0 3 283.332 -1.717 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccc(F)cn1 ZINC001406208452 889485377 /nfs/dbraw/zinc/48/53/77/889485377.db2.gz KEOTXLLEQMLOOK-KOLCDFICSA-N 0 3 296.302 -1.211 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)n1 ZINC001406213324 889485484 /nfs/dbraw/zinc/48/54/84/889485484.db2.gz FRKYCYCOICPHRA-SECBINFHSA-N 0 3 296.331 -2.272 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001406208522 889485539 /nfs/dbraw/zinc/48/55/39/889485539.db2.gz GOEXOYOMZFZDGC-BDAKNGLRSA-N 0 3 295.343 -1.618 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccc(F)cn1 ZINC001406208471 889485552 /nfs/dbraw/zinc/48/55/52/889485552.db2.gz KEOTXLLEQMLOOK-ONGXEEELSA-N 0 3 296.302 -1.211 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1CN(C(C)=O)C1 ZINC001406208407 889486541 /nfs/dbraw/zinc/48/65/41/889486541.db2.gz KDENKSFXDBMFMI-SNVBAGLBSA-N 0 3 286.332 -2.723 20 0 CAADHN CCn1ccnc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001406211464 889486566 /nfs/dbraw/zinc/48/65/66/889486566.db2.gz JBHAPRWDGGJOLK-VHSXEESVSA-N 0 3 295.343 -1.528 20 0 CAADHN CO[C@@H](C)CC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001406208929 889486746 /nfs/dbraw/zinc/48/67/46/889486746.db2.gz KAFPLUMUJQAQBH-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CN1CCOCC1 ZINC001406213958 889486808 /nfs/dbraw/zinc/48/68/08/889486808.db2.gz MNDAFPAXSIAGGC-SECBINFHSA-N 0 3 274.321 -3.129 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)nn1 ZINC001406219106 889487725 /nfs/dbraw/zinc/48/77/25/889487725.db2.gz LGASSTQPXBUWTB-SFYZADRCSA-N 0 3 282.304 -2.616 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@H](O)CNCc1cccnc1 ZINC001406220261 889487874 /nfs/dbraw/zinc/48/78/74/889487874.db2.gz RGFHZVGCBJUULQ-GXSJLCMTSA-N 0 3 295.343 -1.295 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CC1(F)F)NC1CC1 ZINC001406220421 889487951 /nfs/dbraw/zinc/48/79/51/889487951.db2.gz LVARPEQJIQSHPF-BDAKNGLRSA-N 0 3 291.298 -1.013 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ncoc1C ZINC001406217861 889488080 /nfs/dbraw/zinc/48/80/80/889488080.db2.gz PTBDDQVFLIZALV-CBAPKCEASA-N 0 3 284.316 -1.202 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CNCc2cncn2C)n1 ZINC001406220670 889488119 /nfs/dbraw/zinc/48/81/19/889488119.db2.gz MRLROWHXCBHCMZ-JTQLQIEISA-N 0 3 293.331 -1.571 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)nnn1C ZINC001406224034 889488554 /nfs/dbraw/zinc/48/85/54/889488554.db2.gz ZMYHRZMIHIRVSQ-XPUUQOCRSA-N 0 3 284.320 -2.322 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001406224116 889488678 /nfs/dbraw/zinc/48/86/78/889488678.db2.gz WAZOYFUKODMZEB-SVRRBLITSA-N 0 3 270.289 -1.463 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1cccnc1 ZINC001406219435 889488706 /nfs/dbraw/zinc/48/87/06/889488706.db2.gz RMCXGTGATMGHTD-LBPRGKRZSA-N 0 3 294.355 -1.221 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)c1 ZINC001406216630 889488811 /nfs/dbraw/zinc/48/88/11/889488811.db2.gz PSCPZDNIXFZXEB-QWRGUYRKSA-N 0 3 280.328 -1.406 20 0 CAADHN O=C(Cc1ccon1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001406221028 889488832 /nfs/dbraw/zinc/48/88/32/889488832.db2.gz OVPJPCOYWKURCC-NXEZZACHSA-N 0 3 282.300 -1.828 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)co1 ZINC001406216436 889489025 /nfs/dbraw/zinc/48/90/25/889489025.db2.gz OUPIWBQUZYGECP-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)nn1 ZINC001406219109 889489071 /nfs/dbraw/zinc/48/90/71/889489071.db2.gz LGASSTQPXBUWTB-YUMQZZPRSA-N 0 3 282.304 -2.616 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)c1 ZINC001406222769 889489161 /nfs/dbraw/zinc/48/91/61/889489161.db2.gz XXLVNEPDBSDSEO-ZJUUUORDSA-N 0 3 295.343 -1.621 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)nn1 ZINC001406219099 889489173 /nfs/dbraw/zinc/48/91/73/889489173.db2.gz LGASSTQPXBUWTB-HTQZYQBOSA-N 0 3 282.304 -2.616 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)nn1 ZINC001406219102 889489226 /nfs/dbraw/zinc/48/92/26/889489226.db2.gz LGASSTQPXBUWTB-JGVFFNPUSA-N 0 3 282.304 -2.616 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001406222222 889489239 /nfs/dbraw/zinc/48/92/39/889489239.db2.gz QVEDDEJQNIZOEB-ZJUUUORDSA-N 0 3 273.333 -1.632 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CNCc2cncn2C)n1 ZINC001406220674 889489246 /nfs/dbraw/zinc/48/92/46/889489246.db2.gz MRLROWHXCBHCMZ-SNVBAGLBSA-N 0 3 293.331 -1.571 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)co1 ZINC001406216430 889489341 /nfs/dbraw/zinc/48/93/41/889489341.db2.gz OUPIWBQUZYGECP-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN O=C(Cc1ccon1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001406221032 889489369 /nfs/dbraw/zinc/48/93/69/889489369.db2.gz OVPJPCOYWKURCC-UWVGGRQHSA-N 0 3 282.300 -1.828 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C1CC1 ZINC001406216438 889489564 /nfs/dbraw/zinc/48/95/64/889489564.db2.gz PKKLAVOIRVOXSI-MWLCHTKSSA-N 0 3 287.360 -1.291 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccncc1F ZINC001406221356 889489593 /nfs/dbraw/zinc/48/95/93/889489593.db2.gz WGXWLIUPSFKGDN-KCJUWKMLSA-N 0 3 296.302 -1.211 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)c1 ZINC001406216633 889489612 /nfs/dbraw/zinc/48/96/12/889489612.db2.gz PSCPZDNIXFZXEB-WDEREUQCSA-N 0 3 280.328 -1.406 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ncoc1C ZINC001406217859 889489688 /nfs/dbraw/zinc/48/96/88/889489688.db2.gz PTBDDQVFLIZALV-APPZFPTMSA-N 0 3 284.316 -1.202 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccncc1F)C(N)=O ZINC001406219767 889489727 /nfs/dbraw/zinc/48/97/27/889489727.db2.gz UKONXVGROHSHGU-JGVFFNPUSA-N 0 3 284.291 -1.225 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccncc1F)C(N)=O ZINC001406219760 889489862 /nfs/dbraw/zinc/48/98/62/889489862.db2.gz UKONXVGROHSHGU-HTQZYQBOSA-N 0 3 284.291 -1.225 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cn(C)nc1C)C(N)=O ZINC001406223609 889489917 /nfs/dbraw/zinc/48/99/17/889489917.db2.gz RBEGTMQACYJATH-ONGXEEELSA-N 0 3 297.359 -1.327 20 0 CAADHN Cc1ncc(CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)o1 ZINC001406232760 889491595 /nfs/dbraw/zinc/49/15/95/889491595.db2.gz FPTOPKHFNXSNCG-VXNVDRBHSA-N 0 3 284.316 -1.534 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@H](O)CNCc1cncn1C ZINC001406226417 889491868 /nfs/dbraw/zinc/49/18/68/889491868.db2.gz ZFBFSRZIWDNHBY-WPRPVWTQSA-N 0 3 298.347 -1.956 20 0 CAADHN CC(C)n1nccc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001406229957 889492084 /nfs/dbraw/zinc/49/20/84/889492084.db2.gz MDYMAEJGKCHAQD-SECBINFHSA-N 0 3 283.332 -1.370 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001406227366 889492180 /nfs/dbraw/zinc/49/21/80/889492180.db2.gz UCJACPRDVTUUNH-SECBINFHSA-N 0 3 298.347 -1.934 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001406229270 889492471 /nfs/dbraw/zinc/49/24/71/889492471.db2.gz VXAYYWLERMBUNX-QMMMGPOBSA-N 0 3 284.320 -2.416 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)[nH]1 ZINC001406227473 889492772 /nfs/dbraw/zinc/49/27/72/889492772.db2.gz YCEUQOPGQDBPFT-ZJUUUORDSA-N 0 3 295.343 -1.371 20 0 CAADHN CN1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1ncnn1C ZINC001406228459 889493050 /nfs/dbraw/zinc/49/30/50/889493050.db2.gz ZIDXBFBRSLMNDT-QWRGUYRKSA-N 0 3 296.375 -1.524 20 0 CAADHN Cc1ncc(CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)o1 ZINC001406232739 889493451 /nfs/dbraw/zinc/49/34/51/889493451.db2.gz FPTOPKHFNXSNCG-CBAPKCEASA-N 0 3 284.316 -1.534 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001406240567 889494614 /nfs/dbraw/zinc/49/46/14/889494614.db2.gz MRPXEHDLKVJEHC-BDAKNGLRSA-N 0 3 286.332 -2.545 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001406242464 889494738 /nfs/dbraw/zinc/49/47/38/889494738.db2.gz YJHSTMVFPXKCRM-MJVIPROJSA-N 0 3 299.371 -1.432 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1ccncc1)C(N)=O ZINC001406242670 889494765 /nfs/dbraw/zinc/49/47/65/889494765.db2.gz CVMHNLZRWYJGFO-CMPLNLGQSA-N 0 3 294.355 -1.045 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001406243674 889495042 /nfs/dbraw/zinc/49/50/42/889495042.db2.gz ZIHWVPDXYBXKNM-CWSCBRNRSA-N 0 3 285.344 -1.774 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnn2c1OCCC2 ZINC001406239604 889495074 /nfs/dbraw/zinc/49/50/74/889495074.db2.gz MYHLTXSUPTUFMX-MRVPVSSYSA-N 0 3 297.315 -2.169 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1cccnc1 ZINC001406246951 889495522 /nfs/dbraw/zinc/49/55/22/889495522.db2.gz UTPCNXOCTQNGPW-NSHDSACASA-N 0 3 280.328 -1.434 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001406242476 889495827 /nfs/dbraw/zinc/49/58/27/889495827.db2.gz YJHSTMVFPXKCRM-WDMOLILDSA-N 0 3 299.371 -1.432 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cncn1C ZINC001406235987 889495859 /nfs/dbraw/zinc/49/58/59/889495859.db2.gz IZLMUNOMXBJPJL-JTQLQIEISA-N 0 3 297.359 -1.375 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cnn(C)c1C ZINC001406233817 889495896 /nfs/dbraw/zinc/49/58/96/889495896.db2.gz HEYZIWPKUMBMAX-NSHDSACASA-N 0 3 297.359 -1.916 20 0 CAADHN COCC(C)(C)C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001406241406 889496081 /nfs/dbraw/zinc/49/60/81/889496081.db2.gz HOTRTRLRNQPQOJ-IUCAKERBSA-N 0 3 275.349 -1.401 20 0 CAADHN Cc1ncc(CC(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)o1 ZINC001406241696 889496099 /nfs/dbraw/zinc/49/60/99/889496099.db2.gz NZFFVTPFZJZPRL-GXSJLCMTSA-N 0 3 296.327 -1.519 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001406241796 889496134 /nfs/dbraw/zinc/49/61/34/889496134.db2.gz IMIQHLRLOJGMCZ-SECBINFHSA-N 0 3 286.307 -1.078 20 0 CAADHN Cc1ncc(CC(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)o1 ZINC001406241715 889496159 /nfs/dbraw/zinc/49/61/59/889496159.db2.gz NZFFVTPFZJZPRL-MWLCHTKSSA-N 0 3 296.327 -1.519 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnn2c1OCCC2 ZINC001406239662 889496257 /nfs/dbraw/zinc/49/62/57/889496257.db2.gz MYHLTXSUPTUFMX-QMMMGPOBSA-N 0 3 297.315 -2.169 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001406240597 889496331 /nfs/dbraw/zinc/49/63/31/889496331.db2.gz MRPXEHDLKVJEHC-IUCAKERBSA-N 0 3 286.332 -2.545 20 0 CAADHN Cc1cc(OCC(=O)NC[C@H](O)CNCC(N)=O)no1 ZINC001406233984 889496365 /nfs/dbraw/zinc/49/63/65/889496365.db2.gz FABJIAFLGYVWNB-MRVPVSSYSA-N 0 3 286.288 -2.086 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CNCC(N)=O)cc1=O ZINC001406241132 889496412 /nfs/dbraw/zinc/49/64/12/889496412.db2.gz JZHLYEQAIMWOMU-SSDOTTSWSA-N 0 3 283.288 -3.054 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](O)CNCC(N)=O)CCC(=O)N1 ZINC001406258432 889497626 /nfs/dbraw/zinc/49/76/26/889497626.db2.gz NALJMMVYTHASFA-CPCISQLKSA-N 0 3 272.305 -2.793 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)[nH]c1=O ZINC001406259141 889498217 /nfs/dbraw/zinc/49/82/17/889498217.db2.gz PEUSUFUNVVKOEL-HTQZYQBOSA-N 0 3 297.315 -2.306 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](O)CNCC(N)=O)CCC(=O)N1 ZINC001406258436 889498523 /nfs/dbraw/zinc/49/85/23/889498523.db2.gz NALJMMVYTHASFA-HQJQHLMTSA-N 0 3 272.305 -2.793 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)[nH]c1=O ZINC001406259166 889498635 /nfs/dbraw/zinc/49/86/35/889498635.db2.gz PEUSUFUNVVKOEL-JGVFFNPUSA-N 0 3 297.315 -2.306 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001406259353 889498655 /nfs/dbraw/zinc/49/86/55/889498655.db2.gz IEFXDLWLXUHXLN-JGVFFNPUSA-N 0 3 272.305 -2.841 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[C@@H]1C ZINC001406250673 889498787 /nfs/dbraw/zinc/49/87/87/889498787.db2.gz JAIQHDXYUHAGLV-YIZRAAEISA-N 0 3 286.332 -1.835 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1C ZINC001406257848 889498855 /nfs/dbraw/zinc/49/88/55/889498855.db2.gz GMPPXRXVPVXHGS-IONNQARKSA-N 0 3 283.332 -1.717 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1n[nH]cc1F ZINC001406258009 889499034 /nfs/dbraw/zinc/49/90/34/889499034.db2.gz LFZHTFLRNHCXKV-RQJHMYQMSA-N 0 3 287.295 -1.636 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1C ZINC001406257851 889499256 /nfs/dbraw/zinc/49/92/56/889499256.db2.gz GMPPXRXVPVXHGS-VXNVDRBHSA-N 0 3 283.332 -1.717 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001406260549 889499342 /nfs/dbraw/zinc/49/93/42/889499342.db2.gz XETXTYJWZOHICE-ZJUUUORDSA-N 0 3 295.343 -2.003 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)[nH]c1=O ZINC001406259169 889499439 /nfs/dbraw/zinc/49/94/39/889499439.db2.gz PEUSUFUNVVKOEL-SFYZADRCSA-N 0 3 297.315 -2.306 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCc2nccn2C1 ZINC001406260544 889499500 /nfs/dbraw/zinc/49/95/00/889499500.db2.gz XETXTYJWZOHICE-VHSXEESVSA-N 0 3 295.343 -2.003 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cn(C(C)C)cn1 ZINC001406250150 889499545 /nfs/dbraw/zinc/49/95/45/889499545.db2.gz IDQMMZXYMLRSCH-JTQLQIEISA-N 0 3 297.359 -1.110 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1n[nH]cc1F ZINC001406258005 889499774 /nfs/dbraw/zinc/49/97/74/889499774.db2.gz LFZHTFLRNHCXKV-RNFRBKRXSA-N 0 3 287.295 -1.636 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1C ZINC001406257845 889499941 /nfs/dbraw/zinc/49/99/41/889499941.db2.gz GMPPXRXVPVXHGS-CBAPKCEASA-N 0 3 283.332 -1.717 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@@H](C)n1ccnc1 ZINC001406262853 889501142 /nfs/dbraw/zinc/50/11/42/889501142.db2.gz DNMXYQLLRMEUIR-MNOVXSKESA-N 0 3 297.359 -1.353 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1nonc1C ZINC001406268717 889501592 /nfs/dbraw/zinc/50/15/92/889501592.db2.gz AAYKTUULGWKTBN-DTWKUNHWSA-N 0 3 299.331 -1.878 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)c(C)o1 ZINC001406270290 889501669 /nfs/dbraw/zinc/50/16/69/889501669.db2.gz BFNYEWJKSZARJK-NXEZZACHSA-N 0 3 296.327 -1.140 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccn(CC)n1)C(N)=O ZINC001406271465 889501723 /nfs/dbraw/zinc/50/17/23/889501723.db2.gz SZRWQSCWOMLQNV-NXEZZACHSA-N 0 3 297.359 -1.153 20 0 CAADHN CCCn1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001406270429 889501744 /nfs/dbraw/zinc/50/17/44/889501744.db2.gz RHUMMJNSPBYFOB-ONGXEEELSA-N 0 3 297.359 -1.153 20 0 CAADHN Cn1ncnc1CNC[C@@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001406264752 889501958 /nfs/dbraw/zinc/50/19/58/889501958.db2.gz BLHVOFVPOHTRPE-SNVBAGLBSA-N 0 3 293.331 -1.652 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001406264792 889502806 /nfs/dbraw/zinc/50/28/06/889502806.db2.gz HBNAKBMMXRRCAO-QMMMGPOBSA-N 0 3 297.315 -2.462 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCc2cccnc21 ZINC001406261570 889502853 /nfs/dbraw/zinc/50/28/53/889502853.db2.gz ABXKKDOUPIKCIP-WDEREUQCSA-N 0 3 292.339 -1.337 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CNCC(N)=O)ccc1F ZINC001406265588 889502925 /nfs/dbraw/zinc/50/29/25/889502925.db2.gz ZIZCKUZDYLEYPJ-SECBINFHSA-N 0 3 299.302 -1.000 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cn(CC)cn1)C(N)=O ZINC001406274163 889503148 /nfs/dbraw/zinc/50/31/48/889503148.db2.gz FKWOALQJKICMIO-NXEZZACHSA-N 0 3 297.359 -1.153 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)c(C)o1 ZINC001406270368 889503195 /nfs/dbraw/zinc/50/31/95/889503195.db2.gz BFNYEWJKSZARJK-ZJUUUORDSA-N 0 3 296.327 -1.140 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]c2ncccc12 ZINC001406272239 889503622 /nfs/dbraw/zinc/50/36/22/889503622.db2.gz BHJQNJJJMOGRIG-MRVPVSSYSA-N 0 3 291.311 -1.272 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1cnoc1)C(=O)N(C)C ZINC001406262507 889503685 /nfs/dbraw/zinc/50/36/85/889503685.db2.gz ORVFNXLLIQESLF-ONGXEEELSA-N 0 3 298.343 -1.240 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001406273390 889503811 /nfs/dbraw/zinc/50/38/11/889503811.db2.gz FEWGQMDLRGLKCH-SNVBAGLBSA-N 0 3 298.347 -2.131 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1c[nH]c2ncccc12 ZINC001406272243 889503899 /nfs/dbraw/zinc/50/38/99/889503899.db2.gz BHJQNJJJMOGRIG-QMMMGPOBSA-N 0 3 291.311 -1.272 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1conc1C ZINC001406263092 889503957 /nfs/dbraw/zinc/50/39/57/889503957.db2.gz CYZHTIBPHWLECF-SECBINFHSA-N 0 3 284.316 -1.201 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001406261639 889504084 /nfs/dbraw/zinc/50/40/84/889504084.db2.gz YZIZKTMEXGIOHY-GRYCIOLGSA-N 0 3 299.371 -1.432 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@H](C)n1ccnc1 ZINC001406262860 889504114 /nfs/dbraw/zinc/50/41/14/889504114.db2.gz DNMXYQLLRMEUIR-WDEREUQCSA-N 0 3 297.359 -1.353 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001406265320 889504199 /nfs/dbraw/zinc/50/41/99/889504199.db2.gz YMURDJFKKWKOLH-MXWKQRLJSA-N 0 3 295.343 -1.892 20 0 CAADHN CC(C)c1nccn1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001406267278 889504286 /nfs/dbraw/zinc/50/42/86/889504286.db2.gz NFEAIWFROAHDLM-SNVBAGLBSA-N 0 3 297.359 -1.442 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCc2cccnc21 ZINC001406261558 889504337 /nfs/dbraw/zinc/50/43/37/889504337.db2.gz ABXKKDOUPIKCIP-QWRGUYRKSA-N 0 3 292.339 -1.337 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1ncccn1 ZINC001406291179 889505253 /nfs/dbraw/zinc/50/52/53/889505253.db2.gz RCVWOSZDQAWAOK-ZJUUUORDSA-N 0 3 293.327 -1.565 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1ncccn1 ZINC001406291117 889505329 /nfs/dbraw/zinc/50/53/29/889505329.db2.gz RCVWOSZDQAWAOK-NXEZZACHSA-N 0 3 293.327 -1.565 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)c1cnon1)C1CC1 ZINC001406278487 889505441 /nfs/dbraw/zinc/50/54/41/889505441.db2.gz OCKQHUALPFKCAP-VIFPVBQESA-N 0 3 297.315 -1.629 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001406277036 889505482 /nfs/dbraw/zinc/50/54/82/889505482.db2.gz ISHSYACRVAYMIN-VIFPVBQESA-N 0 3 297.359 -1.259 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001406278647 889506251 /nfs/dbraw/zinc/50/62/51/889506251.db2.gz UGEIHMQCXDNLPE-MNOVXSKESA-N 0 3 295.343 -1.703 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CCNC(N)=O ZINC001406287140 889506330 /nfs/dbraw/zinc/50/63/30/889506330.db2.gz QNYZZTXZMUHADW-MRVPVSSYSA-N 0 3 289.336 -2.800 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001406278645 889506502 /nfs/dbraw/zinc/50/65/02/889506502.db2.gz UGEIHMQCXDNLPE-GHMZBOCLSA-N 0 3 295.343 -1.703 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001406277012 889506812 /nfs/dbraw/zinc/50/68/12/889506812.db2.gz ISHSYACRVAYMIN-SECBINFHSA-N 0 3 297.359 -1.259 20 0 CAADHN Cc1ncoc1CNC[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001406288892 889506921 /nfs/dbraw/zinc/50/69/21/889506921.db2.gz ZRIDCCISGHWBLE-MRVPVSSYSA-N 0 3 280.288 -1.018 20 0 CAADHN CN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)Cc2nnc[n-]2)C1=O ZINC001406288750 889506967 /nfs/dbraw/zinc/50/69/67/889506967.db2.gz OQUFCACUXYVBDH-BDAKNGLRSA-N 0 3 296.331 -2.355 20 0 CAADHN O=C(Cc1ccc[nH]1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001406274969 889507498 /nfs/dbraw/zinc/50/74/98/889507498.db2.gz DDVZUSPCZNZSHG-NWDGAFQWSA-N 0 3 294.355 -1.098 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001406278653 889507648 /nfs/dbraw/zinc/50/76/48/889507648.db2.gz UGEIHMQCXDNLPE-WDEREUQCSA-N 0 3 295.343 -1.703 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCN1CCCC1=O ZINC001406282050 889507804 /nfs/dbraw/zinc/50/78/04/889507804.db2.gz IUBUCIHLQDJLFX-SECBINFHSA-N 0 3 286.332 -2.449 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1ncccn1 ZINC001406291158 889508024 /nfs/dbraw/zinc/50/80/24/889508024.db2.gz RCVWOSZDQAWAOK-VHSXEESVSA-N 0 3 293.327 -1.565 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccc2nccn2c1 ZINC001406290300 889508214 /nfs/dbraw/zinc/50/82/14/889508214.db2.gz VWSQDNVSBVKNOY-SNVBAGLBSA-N 0 3 291.311 -1.500 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ncccn1)NC1CC1 ZINC001406292520 889508424 /nfs/dbraw/zinc/50/84/24/889508424.db2.gz RYRFBXWTYQKXCQ-JTQLQIEISA-N 0 3 293.327 -1.565 20 0 CAADHN CCO[C@H](C)C(=O)N[C@H](C)CNCC(=O)NC(=O)NC ZINC001406336971 889509399 /nfs/dbraw/zinc/50/93/99/889509399.db2.gz CKJAFKHYJBZJFV-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN CCn1cccc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001406300336 889509538 /nfs/dbraw/zinc/50/95/38/889509538.db2.gz YASVULVIILOLJT-JTQLQIEISA-N 0 3 282.344 -1.066 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CN1CCOCC1 ZINC001406301332 889509782 /nfs/dbraw/zinc/50/97/82/889509782.db2.gz BVTVZTHAUQUWEF-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ncccc1F ZINC001406294287 889509850 /nfs/dbraw/zinc/50/98/50/889509850.db2.gz UMLFGYMIHMMVKU-ZETCQYMHSA-N 0 3 270.264 -1.614 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001406319899 889509966 /nfs/dbraw/zinc/50/99/66/889509966.db2.gz FRYVCGRHASGNMH-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001406329236 889510607 /nfs/dbraw/zinc/51/06/07/889510607.db2.gz PKVIXHDDOKOERW-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001406322895 889510877 /nfs/dbraw/zinc/51/08/77/889510877.db2.gz YSUFFNBBTGJSSM-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CN1CCCC1=O ZINC001406334845 889510901 /nfs/dbraw/zinc/51/09/01/889510901.db2.gz WBLKCQGDOSITNL-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)Cn1cnnn1 ZINC001406334829 889511095 /nfs/dbraw/zinc/51/10/95/889511095.db2.gz WAWQUGVELUTFGZ-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)Cn1cncn1 ZINC001406332591 889511339 /nfs/dbraw/zinc/51/13/39/889511339.db2.gz BTTWFWHWHRBFBU-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)[C@@H]1COC(=O)N1)C(N)=O ZINC001406303758 889511372 /nfs/dbraw/zinc/51/13/72/889511372.db2.gz FSZAIRMFVZDPJN-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CN1CCOCC1 ZINC001406301333 889511396 /nfs/dbraw/zinc/51/13/96/889511396.db2.gz BVTVZTHAUQUWEF-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CNCC(=O)NC)c1C ZINC001406299097 889511406 /nfs/dbraw/zinc/51/14/06/889511406.db2.gz ZEAJKYHAFRBEAB-SNVBAGLBSA-N 0 3 297.359 -1.362 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H](C)NC(N)=O ZINC001406306517 889511478 /nfs/dbraw/zinc/51/14/78/889511478.db2.gz IOXKJEIAASMMMO-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)[C@@H]1COC(=O)N1)C(N)=O ZINC001406303803 889511516 /nfs/dbraw/zinc/51/15/16/889511516.db2.gz FSZAIRMFVZDPJN-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1[nH]cnc1C ZINC001406329534 889511554 /nfs/dbraw/zinc/51/15/54/889511554.db2.gz YKEVPTGHQNFZAY-SECBINFHSA-N 0 3 283.332 -1.465 20 0 CAADHN CCOCC(=O)N[C@H](C)CNCC(=O)NC(=O)NC ZINC001406332136 889511671 /nfs/dbraw/zinc/51/16/71/889511671.db2.gz LPAKQGZDXFZQMJ-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1[nH]cnc1C ZINC001406322840 889511689 /nfs/dbraw/zinc/51/16/89/889511689.db2.gz RUZWCJXGTSOIEF-DTWKUNHWSA-N 0 3 283.332 -1.467 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccnc2n[nH]nc21 ZINC001406363939 889512505 /nfs/dbraw/zinc/51/25/05/889512505.db2.gz CMEOYRIWSBFHPG-RQJHMYQMSA-N 0 3 291.315 -1.065 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCOC1 ZINC001406337328 889512539 /nfs/dbraw/zinc/51/25/39/889512539.db2.gz HPKPRJXYMWKQAD-RKDXNWHRSA-N 0 3 286.332 -1.427 20 0 CAADHN COCCn1cc(C(=O)N[C@H](C)CN[C@@H](C)C(N)=O)nn1 ZINC001406349443 889512648 /nfs/dbraw/zinc/51/26/48/889512648.db2.gz AKXFKGKNNVZMDU-BDAKNGLRSA-N 0 3 298.347 -1.494 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001406339576 889512674 /nfs/dbraw/zinc/51/26/74/889512674.db2.gz RRVZCCQMPZSHNY-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN COCCn1cc(C(=O)N[C@H](C)CN[C@H](C)C(N)=O)nn1 ZINC001406349459 889512900 /nfs/dbraw/zinc/51/29/00/889512900.db2.gz AKXFKGKNNVZMDU-RKDXNWHRSA-N 0 3 298.347 -1.494 20 0 CAADHN CO[C@H](C)C(=O)N[C@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001406340605 889513018 /nfs/dbraw/zinc/51/30/18/889513018.db2.gz QWSWATQJNULBGE-GJMOJQLCSA-N 0 3 274.321 -1.301 20 0 CAADHN COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001406363059 889513324 /nfs/dbraw/zinc/51/33/24/889513324.db2.gz KBDPCBJIKVUSHL-RKDXNWHRSA-N 0 3 284.316 -1.103 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1COC(=O)N1 ZINC001406350723 889513926 /nfs/dbraw/zinc/51/39/26/889513926.db2.gz KUKTXUIXXHEPKF-HTQZYQBOSA-N 0 3 272.305 -1.723 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1ccc2n[nH]nc2n1 ZINC001406369354 889513695 /nfs/dbraw/zinc/51/36/95/889513695.db2.gz YAXNEKXURDKPOH-RNFRBKRXSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1cn(C)nn1 ZINC001406347799 889513717 /nfs/dbraw/zinc/51/37/17/889513717.db2.gz BVXYZUDERKQXRV-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN CO[C@@H](C)C(=O)N[C@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001406340600 889513794 /nfs/dbraw/zinc/51/37/94/889513794.db2.gz QWSWATQJNULBGE-CSMHCCOUSA-N 0 3 274.321 -1.301 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CCNC(=O)NC)C(N)=O ZINC001406347685 889514174 /nfs/dbraw/zinc/51/41/74/889514174.db2.gz BARSCEJYZDERLT-RKDXNWHRSA-N 0 3 287.364 -1.336 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1O ZINC001406365865 889514311 /nfs/dbraw/zinc/51/43/11/889514311.db2.gz MQCFZBWJQNTRHE-UTUOFQBUSA-N 0 3 299.371 -1.338 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)CNC(=O)C1CC1 ZINC001406341181 889514481 /nfs/dbraw/zinc/51/44/81/889514481.db2.gz ZSRPVJDGLPBQHW-KOLCDFICSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)COCc1ccnn1C ZINC001406367277 889514507 /nfs/dbraw/zinc/51/45/07/889514507.db2.gz WRTKFWRHRATKPD-SECBINFHSA-N 0 3 283.332 -1.484 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001406339862 889514867 /nfs/dbraw/zinc/51/48/67/889514867.db2.gz KUUCHKGWEVPBBU-SECBINFHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)[C@@H]1CNC(=O)N1 ZINC001406337222 889514913 /nfs/dbraw/zinc/51/49/13/889514913.db2.gz YPFAXNNLYXZMHJ-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)c1cnn(C)c1N ZINC001406346514 889515005 /nfs/dbraw/zinc/51/50/05/889515005.db2.gz MGDGNYQLNCZJQT-PSASIEDQSA-N 0 3 294.359 -1.011 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001406391131 889516023 /nfs/dbraw/zinc/51/60/23/889516023.db2.gz GRHPFIAXZATXPO-ODXREFDESA-N 0 3 284.316 -1.832 20 0 CAADHN C[C@H](CN[C@H]1CCCN(C)C1=O)NC(=O)c1nnn(C)n1 ZINC001406395576 889516780 /nfs/dbraw/zinc/51/67/80/889516780.db2.gz VJXFSLBUGYAYDE-BDAKNGLRSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001406397031 889516799 /nfs/dbraw/zinc/51/67/99/889516799.db2.gz RGZSDUKCBCPAAD-YGRLFVJLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1ccn2nnnc2c1 ZINC001406387674 889517076 /nfs/dbraw/zinc/51/70/76/889517076.db2.gz WZLPOVFVPZJRQV-HTQZYQBOSA-N 0 3 291.315 -1.294 20 0 CAADHN Cc1occc(=O)c1OCC(=O)N[C@H](C)CNCC(N)=O ZINC001406384102 889517146 /nfs/dbraw/zinc/51/71/46/889517146.db2.gz NHQZIQIMRWLTHU-MRVPVSSYSA-N 0 3 297.311 -1.093 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001406393418 889517188 /nfs/dbraw/zinc/51/71/88/889517188.db2.gz OMSJQWFXBZKXEQ-RKDXNWHRSA-N 0 3 294.359 -1.500 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CN1CCCCC1=O ZINC001406380012 889517351 /nfs/dbraw/zinc/51/73/51/889517351.db2.gz XGALCYHYEPXCHB-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@H]1CCCS1(=O)=O ZINC001406390790 889517613 /nfs/dbraw/zinc/51/76/13/889517613.db2.gz RUFCUUNMIUNUEO-RKDXNWHRSA-N 0 3 291.373 -1.467 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001406399464 889519351 /nfs/dbraw/zinc/51/93/51/889519351.db2.gz KKGOWXHVHXPOTK-IEBDPFPHSA-N 0 3 296.371 -1.177 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001406452381 889519520 /nfs/dbraw/zinc/51/95/20/889519520.db2.gz HJJFUFFHTCVDJL-IUCAKERBSA-N 0 3 284.360 -1.259 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O)C1 ZINC001406458319 889519596 /nfs/dbraw/zinc/51/95/96/889519596.db2.gz BKAHSZHGOZJFHH-YUMQZZPRSA-N 0 3 270.333 -1.567 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cn[nH]c1 ZINC001406452345 889519678 /nfs/dbraw/zinc/51/96/78/889519678.db2.gz HIIGQWCTRISFAI-ZETCQYMHSA-N 0 3 279.304 -1.260 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)C1 ZINC001406458519 889520115 /nfs/dbraw/zinc/52/01/15/889520115.db2.gz CGRALTVDVWPFFF-ZETCQYMHSA-N 0 3 299.331 -2.246 20 0 CAADHN CO[C@@H](C)CC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001406453834 889520281 /nfs/dbraw/zinc/52/02/81/889520281.db2.gz OPSFUFVANOIKOG-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CN[C@H](C)C(N)=O)C1 ZINC001406458313 889520668 /nfs/dbraw/zinc/52/06/68/889520668.db2.gz BKAHSZHGOZJFHH-JGVFFNPUSA-N 0 3 270.333 -1.567 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)C1CN(C(C)=O)C1)C(N)=O ZINC001406460549 889520782 /nfs/dbraw/zinc/52/07/82/889520782.db2.gz JTCWLNQMQMSHIB-KWQFWETISA-N 0 3 284.360 -1.177 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001406433292 889520946 /nfs/dbraw/zinc/52/09/46/889520946.db2.gz NMLOLHWOCVMSSW-RQJHMYQMSA-N 0 3 280.350 -2.496 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCOC ZINC001406440800 889520981 /nfs/dbraw/zinc/52/09/81/889520981.db2.gz ADSKMRYGXTVSCZ-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCc2nncn2C1 ZINC001406433940 889521182 /nfs/dbraw/zinc/52/11/82/889521182.db2.gz TYGPBNDMYBXKEM-BDAKNGLRSA-N 0 3 280.332 -1.580 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001406402144 889521373 /nfs/dbraw/zinc/52/13/73/889521373.db2.gz RWQRSPBSCBQCRF-PRJMDXOYSA-N 0 3 296.331 -2.176 20 0 CAADHN C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)Cn1cnnn1 ZINC001406449989 889521541 /nfs/dbraw/zinc/52/15/41/889521541.db2.gz QFKVTCAULUYVQT-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001406434626 889521613 /nfs/dbraw/zinc/52/16/13/889521613.db2.gz PHFDHCBCVJGEGB-BDAKNGLRSA-N 0 3 293.389 -1.222 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001406434632 889521783 /nfs/dbraw/zinc/52/17/83/889521783.db2.gz PHFDHCBCVJGEGB-RKDXNWHRSA-N 0 3 293.389 -1.222 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)C1CN(C(C)=O)C1)C(N)=O ZINC001406460547 889521828 /nfs/dbraw/zinc/52/18/28/889521828.db2.gz JTCWLNQMQMSHIB-GZMMTYOYSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cncc(OC)n1 ZINC001406407867 889522139 /nfs/dbraw/zinc/52/21/39/889522139.db2.gz UEHZRGDKUUNPNS-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCc1cnn(C)n1 ZINC001406397240 889522159 /nfs/dbraw/zinc/52/21/59/889522159.db2.gz AHBMIPMNKZHGPM-RKDXNWHRSA-N 0 3 282.348 -1.284 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001406397242 889522177 /nfs/dbraw/zinc/52/21/77/889522177.db2.gz AKQPPJWVTHNNNO-MXWKQRLJSA-N 0 3 298.387 -1.026 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001406401135 889522627 /nfs/dbraw/zinc/52/26/27/889522627.db2.gz QJWREJOHTLJPER-APPZFPTMSA-N 0 3 293.327 -1.290 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001406467093 889524300 /nfs/dbraw/zinc/52/43/00/889524300.db2.gz ZWYHLIRRTVDZAH-VIFPVBQESA-N 0 3 272.349 -1.353 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCC(=O)N1C ZINC001406512756 889524425 /nfs/dbraw/zinc/52/44/25/889524425.db2.gz GSOYCVWIHAJFPK-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CN1CCOCC1 ZINC001406461301 889524954 /nfs/dbraw/zinc/52/49/54/889524954.db2.gz OWIBGSLOLGAJNV-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001406464082 889525086 /nfs/dbraw/zinc/52/50/86/889525086.db2.gz UGGGETVJAFMRCA-QMMMGPOBSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CN1CCNC(=O)C1 ZINC001406519091 889525189 /nfs/dbraw/zinc/52/51/89/889525189.db2.gz SAMYZPCUCCGBQU-QMMMGPOBSA-N 0 3 271.321 -3.002 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CN1CCCNC1=O ZINC001406491487 889525251 /nfs/dbraw/zinc/52/52/51/889525251.db2.gz IEYIOZZCOVXBFE-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1COC(=O)N1 ZINC001406466338 889525579 /nfs/dbraw/zinc/52/55/79/889525579.db2.gz HUXYLXQZCPCVPW-DTWKUNHWSA-N 0 3 284.316 -1.579 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001406507047 889525817 /nfs/dbraw/zinc/52/58/17/889525817.db2.gz WOWYPUUEZDCTTJ-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN COCCn1cc(C(=O)N[C@@H](C)CNCC(N)=O)nn1 ZINC001406470015 889525917 /nfs/dbraw/zinc/52/59/17/889525917.db2.gz WCOJDYJBDLYXPL-QMMMGPOBSA-N 0 3 284.320 -1.882 20 0 CAADHN Cc1nnccc1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001406491094 889526086 /nfs/dbraw/zinc/52/60/86/889526086.db2.gz GDNYCKXDEDWUGF-ZETCQYMHSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1cnn(C)c1N ZINC001406469645 889526377 /nfs/dbraw/zinc/52/63/77/889526377.db2.gz QFEGAXIACFIVKM-WCBMZHEXSA-N 0 3 294.359 -1.059 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cccn2nnnc12 ZINC001406485257 889526519 /nfs/dbraw/zinc/52/65/19/889526519.db2.gz VXIFJIAPXFRENQ-ZETCQYMHSA-N 0 3 277.288 -1.683 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001406480237 889526695 /nfs/dbraw/zinc/52/66/95/889526695.db2.gz JAOBTQJGGBPFOW-UWVGGRQHSA-N 0 3 298.343 -2.172 20 0 CAADHN CC(C)[C@@H](O)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001406464379 889526708 /nfs/dbraw/zinc/52/67/08/889526708.db2.gz AONMOBVEBQKGPT-IONNQARKSA-N 0 3 274.321 -1.708 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C(C)(C)N1CCOCC1 ZINC001406536650 889527774 /nfs/dbraw/zinc/52/77/74/889527774.db2.gz PDTKNYCSCSNONO-JTQLQIEISA-N 0 3 286.376 -1.323 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cccn(C)c1=O ZINC001406554486 889527875 /nfs/dbraw/zinc/52/78/75/889527875.db2.gz AEGMHOVMAUYYLR-GXSJLCMTSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1nc2ncccn2n1)C(N)=O ZINC001406540316 889528316 /nfs/dbraw/zinc/52/83/16/889528316.db2.gz CCXXAECLXVGQST-JGVFFNPUSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001406561985 889528417 /nfs/dbraw/zinc/52/84/17/889528417.db2.gz OOSUUUIDLMPHSM-IONNQARKSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@@H](C[NH2+]CC(=O)NC1CC1)NC(=O)Cc1nnc[n-]1 ZINC001406546586 889528793 /nfs/dbraw/zinc/52/87/93/889528793.db2.gz CTJSLWPXJLJMTM-QMMMGPOBSA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)Cc1ccc(C(N)=O)cc1 ZINC001406565708 889529018 /nfs/dbraw/zinc/52/90/18/889529018.db2.gz ZSMPVMYOIIKGHF-VIFPVBQESA-N 0 3 292.339 -1.092 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cccn(C)c1=O ZINC001406554490 889529732 /nfs/dbraw/zinc/52/97/32/889529732.db2.gz AEGMHOVMAUYYLR-ONGXEEELSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ncccn1)C(=O)NC(N)=O ZINC001406545561 889530098 /nfs/dbraw/zinc/53/00/98/889530098.db2.gz VFACIKLGRTVUFN-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cccnc1C(N)=O ZINC001406557924 889531173 /nfs/dbraw/zinc/53/11/73/889531173.db2.gz IPMVPBLXPCPZBV-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@]1(C)CCCS1(=O)=O ZINC001406536412 889531530 /nfs/dbraw/zinc/53/15/30/889531530.db2.gz XJRIQGCXCNMQQG-KWQFWETISA-N 0 3 291.373 -1.467 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001406679128 889532576 /nfs/dbraw/zinc/53/25/76/889532576.db2.gz SCELDTWZOMDWJN-LPEHRKFASA-N 0 3 273.333 -1.552 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001406679115 889532621 /nfs/dbraw/zinc/53/26/21/889532621.db2.gz SCELDTWZOMDWJN-KXUCPTDWSA-N 0 3 273.333 -1.552 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001406737131 889532699 /nfs/dbraw/zinc/53/26/99/889532699.db2.gz HCCXVIRKFDPLQS-SECBINFHSA-N 0 3 281.320 -2.097 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@H](C)NC(N)=O ZINC001406620399 889533137 /nfs/dbraw/zinc/53/31/37/889533137.db2.gz VNUYIXKCVIWWQV-UWVGGRQHSA-N 0 3 297.363 -1.229 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CNS(=O)(=O)N(C)C ZINC001406684045 889533896 /nfs/dbraw/zinc/53/38/96/889533896.db2.gz ACYQVBKDCPKURV-SECBINFHSA-N 0 3 296.393 -2.189 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001406769724 889536330 /nfs/dbraw/zinc/53/63/30/889536330.db2.gz ZBBWPAOCMYOQMW-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001406762724 889536639 /nfs/dbraw/zinc/53/66/39/889536639.db2.gz ZSLMSOKWPZZKNR-VHSXEESVSA-N 0 3 298.343 -1.333 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001406769730 889536837 /nfs/dbraw/zinc/53/68/37/889536837.db2.gz ZBBWPAOCMYOQMW-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN Cn1cc(C(=O)N[C@H](CNCC(N)=O)C2CC2)[nH]c1=O ZINC001406779722 889537192 /nfs/dbraw/zinc/53/71/92/889537192.db2.gz PSVRSPNQIDADJG-MRVPVSSYSA-N 0 3 281.316 -1.291 20 0 CAADHN Cn1cncc1CC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001406784318 889537335 /nfs/dbraw/zinc/53/73/35/889537335.db2.gz OGUCSRQAKVMLGT-LLVKDONJSA-N 0 3 279.344 -1.068 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)c1cn(C)nn1)C1CC1)C(N)=O ZINC001406748727 889537544 /nfs/dbraw/zinc/53/75/44/889537544.db2.gz HUBWMHOEDBBOQG-VXNVDRBHSA-N 0 3 280.332 -1.213 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001406780478 889537609 /nfs/dbraw/zinc/53/76/09/889537609.db2.gz DZRKCICPCOAYKE-MRVPVSSYSA-N 0 3 292.361 -2.495 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CNC(=O)NC)C1CC1 ZINC001406750706 889537704 /nfs/dbraw/zinc/53/77/04/889537704.db2.gz AUEBICHWODVRCL-SECBINFHSA-N 0 3 285.348 -1.854 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001406769720 889537720 /nfs/dbraw/zinc/53/77/20/889537720.db2.gz ZBBWPAOCMYOQMW-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001406762717 889538640 /nfs/dbraw/zinc/53/86/40/889538640.db2.gz ZSLMSOKWPZZKNR-UWVGGRQHSA-N 0 3 298.343 -1.333 20 0 CAADHN Cc1nonc1CC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001406788276 889538989 /nfs/dbraw/zinc/53/89/89/889538989.db2.gz PDWOUCZRQAOTOP-SNVBAGLBSA-N 0 3 281.316 -1.110 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001406785932 889539103 /nfs/dbraw/zinc/53/91/03/889539103.db2.gz USYLFMMIDBSQHE-XPUUQOCRSA-N 0 3 271.321 -1.987 20 0 CAADHN CC(=O)NCC(=O)NCC1(N[C@@H]2CCCN(C)C2=O)CC1 ZINC001406894541 889544235 /nfs/dbraw/zinc/54/42/35/889544235.db2.gz MKEIVAYYWYMRHL-LLVKDONJSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H](C)NC(C)=O ZINC001407095298 889551652 /nfs/dbraw/zinc/55/16/52/889551652.db2.gz JNHCDKLGZUVRET-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)Cn1cncn1)C(N)=O ZINC001407110028 889552193 /nfs/dbraw/zinc/55/21/93/889552193.db2.gz KLJDYSLWVCRUTG-UWVGGRQHSA-N 0 3 280.332 -1.268 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001407095283 889553621 /nfs/dbraw/zinc/55/36/21/889553621.db2.gz JJJQMPOZOHYWMT-JTQLQIEISA-N 0 3 270.333 -1.469 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001407108246 889553776 /nfs/dbraw/zinc/55/37/76/889553776.db2.gz FZEVWCYRPXLHSC-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN Cn1cnnc1COCC(=O)N[C@]1(C)CCN(CCO)C1 ZINC001407186070 889555603 /nfs/dbraw/zinc/55/56/03/889555603.db2.gz DQAFJLWMUOUKOO-CYBMUJFWSA-N 0 3 297.359 -1.095 20 0 CAADHN CN1C[C@H](C(=O)N2CCC[C@H]2CNCC(N)=O)NC1=O ZINC001407116829 889556025 /nfs/dbraw/zinc/55/60/25/889556025.db2.gz SOYDQEUSJGVWKL-DTWKUNHWSA-N 0 3 283.332 -1.924 20 0 CAADHN COC[C@@H](O)CN1CC[C@@](C)(NC(=O)Cn2cncn2)C1 ZINC001407213716 889556383 /nfs/dbraw/zinc/55/63/83/889556383.db2.gz ZRARZJYVEIERJE-WCQYABFASA-N 0 3 297.359 -1.134 20 0 CAADHN CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)c2nc[n-]n2)C1 ZINC001407235690 889556613 /nfs/dbraw/zinc/55/66/13/889556613.db2.gz CIWFNLVEQGTINA-GFCCVEGCSA-N 0 3 280.332 -1.008 20 0 CAADHN C[C@]1(NC(=O)CN2CCNC(=O)C2)CCN(CCO)C1 ZINC001407169846 889557005 /nfs/dbraw/zinc/55/70/05/889557005.db2.gz LCZUZWSFHBLJNU-ZDUSSCGKSA-N 0 3 284.360 -2.009 20 0 CAADHN CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)c2nc[n-]n2)C1 ZINC001407235694 889557307 /nfs/dbraw/zinc/55/73/07/889557307.db2.gz CIWFNLVEQGTINA-LBPRGKRZSA-N 0 3 280.332 -1.008 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CCN1CCOCC1 ZINC001407119431 889557497 /nfs/dbraw/zinc/55/74/97/889557497.db2.gz WWRTYDHQRKBTDN-LBPRGKRZSA-N 0 3 298.387 -1.225 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001407125668 889557507 /nfs/dbraw/zinc/55/75/07/889557507.db2.gz YDTNEGNMWVLLID-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN Cn1cnnc1COCC(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001407186077 889557786 /nfs/dbraw/zinc/55/77/86/889557786.db2.gz DQAFJLWMUOUKOO-ZDUSSCGKSA-N 0 3 297.359 -1.095 20 0 CAADHN CCn1nncc1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001407342535 889559164 /nfs/dbraw/zinc/55/91/64/889559164.db2.gz FGAGFZVIBFDALB-LBPRGKRZSA-N 0 3 283.332 -1.543 20 0 CAADHN NC(=O)CN1CC[C@](O)(CNC(=O)CCc2cnn[nH]2)C1 ZINC001407353780 889559408 /nfs/dbraw/zinc/55/94/08/889559408.db2.gz OXIAMUQUYUOCHJ-LBPRGKRZSA-N 0 3 296.331 -2.224 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)CC1=O ZINC001407354029 889559441 /nfs/dbraw/zinc/55/94/41/889559441.db2.gz WMAJUDFSYDAHGG-MFKMUULPSA-N 0 3 285.344 -1.990 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001407351259 889560860 /nfs/dbraw/zinc/56/08/60/889560860.db2.gz OFOVBKBKYMUBOB-GWCFXTLKSA-N 0 3 287.360 -1.554 20 0 CAADHN C[C@@H](O)CN1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001407352689 889561696 /nfs/dbraw/zinc/56/16/96/889561696.db2.gz PKLXYZHFRYQDRQ-SKDRFNHKSA-N 0 3 283.332 -1.638 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001407351274 889562378 /nfs/dbraw/zinc/56/23/78/889562378.db2.gz OFOVBKBKYMUBOB-ZWNOBZJWSA-N 0 3 287.360 -1.554 20 0 CAADHN Cn1c(C(=O)NC[C@]2(O)CCN(CCO)C2)c[nH]c1=O ZINC001407379394 889564664 /nfs/dbraw/zinc/56/46/64/889564664.db2.gz JLLRMDKFWJDFBA-GFCCVEGCSA-N 0 3 284.316 -1.715 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001407378506 889565741 /nfs/dbraw/zinc/56/57/41/889565741.db2.gz ZLKIOERIMOMUJP-MPPDQPJWSA-N 0 3 270.329 -1.576 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)CC1=O ZINC001407384554 889565817 /nfs/dbraw/zinc/56/58/17/889565817.db2.gz PZBKKJNYEDFQEK-RISCZKNCSA-N 0 3 299.371 -1.600 20 0 CAADHN Cn1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)ccc1=O ZINC001407382918 889565839 /nfs/dbraw/zinc/56/58/39/889565839.db2.gz ONDPFKGGFJYBCB-CQSZACIVSA-N 0 3 295.339 -1.456 20 0 CAADHN COC[C@@H](OC)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001407372838 889566074 /nfs/dbraw/zinc/56/60/74/889566074.db2.gz XZJGKKLZYBWVPN-ZYHUDNBSSA-N 0 3 276.333 -1.807 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)CC1=O ZINC001407384547 889566175 /nfs/dbraw/zinc/56/61/75/889566175.db2.gz PZBKKJNYEDFQEK-FZMZJTMJSA-N 0 3 299.371 -1.600 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407368042 889567397 /nfs/dbraw/zinc/56/73/97/889567397.db2.gz QVZMIBQYOHLERZ-JOYOIKCWSA-N 0 3 286.332 -2.133 20 0 CAADHN CN1CC[C@H](CC(=O)NC[C@]2(O)CCN(CCO)C2)C1=O ZINC001407393802 889570396 /nfs/dbraw/zinc/57/03/96/889570396.db2.gz VGUJUZKHFITNIZ-BXUZGUMPSA-N 0 3 299.371 -1.600 20 0 CAADHN CN1CC[C@@H](CC(=O)NC[C@]2(O)CCN(CCO)C2)C1=O ZINC001407393815 889570979 /nfs/dbraw/zinc/57/09/79/889570979.db2.gz VGUJUZKHFITNIZ-SMDDNHRTSA-N 0 3 299.371 -1.600 20 0 CAADHN CC[C@H](C(=O)NC[C@H]1CN(CC(N)=O)CCO1)N(C)C ZINC001407486345 889579798 /nfs/dbraw/zinc/57/97/98/889579798.db2.gz GJRBGTVHFDOWGS-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cn[n-]n2)C[C@@H]1C ZINC001407547690 889581868 /nfs/dbraw/zinc/58/18/68/889581868.db2.gz QZUDARYEZSTDKJ-IUCAKERBSA-N 0 3 280.332 -1.152 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)CNC(C)=O ZINC001407653535 889582548 /nfs/dbraw/zinc/58/25/48/889582548.db2.gz LXBHOYXULZUGMA-SECBINFHSA-N 0 3 288.348 -2.333 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001407547673 889582616 /nfs/dbraw/zinc/58/26/16/889582616.db2.gz QZUDARYEZSTDKJ-BDAKNGLRSA-N 0 3 280.332 -1.152 20 0 CAADHN O=C([C@H]1CCCO1)N(CCO)CCN[C@H]1CCCNC1=O ZINC001407655868 889583073 /nfs/dbraw/zinc/58/30/73/889583073.db2.gz NQRYXQOHXITMBT-NWDGAFQWSA-N 0 3 299.371 -1.146 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)on1 ZINC001407660479 889583722 /nfs/dbraw/zinc/58/37/22/889583722.db2.gz UFUQDPZOIDJZGE-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001407654043 889584616 /nfs/dbraw/zinc/58/46/16/889584616.db2.gz HNDYNGLLLUPXIS-UKKRHICBSA-N 0 3 285.344 -1.837 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2C1 ZINC001407555450 889584849 /nfs/dbraw/zinc/58/48/49/889584849.db2.gz VSFTZXJXTDOHIZ-ZMLRMANQSA-N 0 3 296.371 -1.353 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C1=COCCC1)C(N)=O ZINC001407702608 889586218 /nfs/dbraw/zinc/58/62/18/889586218.db2.gz XPKCUENHOZGTSK-JTQLQIEISA-N 0 3 285.344 -1.035 20 0 CAADHN O=C([C@@H]1CCCOC1)N(CCO)CCN[C@H]1CCNC1=O ZINC001407681934 889586394 /nfs/dbraw/zinc/58/63/94/889586394.db2.gz DHDJSONSVNVGKY-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cncnc1 ZINC001407689038 889586422 /nfs/dbraw/zinc/58/64/22/889586422.db2.gz JFWRGGTXDBOHEN-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cc1ccn(C)n1)C(N)=O ZINC001407696855 889586449 /nfs/dbraw/zinc/58/64/49/889586449.db2.gz QEHBRQDZTLYQCJ-JTQLQIEISA-N 0 3 297.359 -1.753 20 0 CAADHN Cn1ccc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)c1 ZINC001407681989 889586775 /nfs/dbraw/zinc/58/67/75/889586775.db2.gz DNMISDIPHDAKCN-LBPRGKRZSA-N 0 3 294.355 -1.062 20 0 CAADHN Cn1ccc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)c1 ZINC001407681987 889586795 /nfs/dbraw/zinc/58/67/95/889586795.db2.gz DNMISDIPHDAKCN-GFCCVEGCSA-N 0 3 294.355 -1.062 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cnsn1)C(N)=O ZINC001407680002 889586894 /nfs/dbraw/zinc/58/68/94/889586894.db2.gz ANIIOIYZEQWOPR-SSDOTTSWSA-N 0 3 287.345 -1.564 20 0 CAADHN CO[C@H](C)C(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001407759330 889587073 /nfs/dbraw/zinc/58/70/73/889587073.db2.gz GWELDLBOVPEIIK-MRVPVSSYSA-N 0 3 286.332 -1.155 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cocn1)C(N)=O ZINC001407699923 889587219 /nfs/dbraw/zinc/58/72/19/889587219.db2.gz UPXWAEZLPADEPH-VIFPVBQESA-N 0 3 284.316 -1.037 20 0 CAADHN O=C([C@H]1CCCOC1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001407681937 889587794 /nfs/dbraw/zinc/58/77/94/889587794.db2.gz DHDJSONSVNVGKY-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)CC(C)(C)O)C(N)=O ZINC001407680224 889588926 /nfs/dbraw/zinc/58/89/26/889588926.db2.gz BVLRZHHJOLEHJA-SECBINFHSA-N 0 3 275.349 -1.568 20 0 CAADHN COC(=O)NCC(=O)NCC1(NCC(N)=O)CCC1 ZINC001407759315 889589040 /nfs/dbraw/zinc/58/90/40/889589040.db2.gz GVUFJRRVUANKOH-UHFFFAOYSA-N 0 3 272.305 -1.544 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C[C@@H]2COC(=O)C2)CCO1 ZINC001407836478 889590213 /nfs/dbraw/zinc/59/02/13/889590213.db2.gz IGHZMXITGROFSL-UWVGGRQHSA-N 0 3 299.327 -1.758 20 0 CAADHN CCOCC(=O)N1CCO[C@H](CNCC(=O)N(C)C)C1 ZINC001407835459 889590298 /nfs/dbraw/zinc/59/02/98/889590298.db2.gz NRVXJBQWSIZPTH-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C[C@H]2COC(=O)C2)CCO1 ZINC001407836490 889590428 /nfs/dbraw/zinc/59/04/28/889590428.db2.gz IGHZMXITGROFSL-ZJUUUORDSA-N 0 3 299.327 -1.758 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)C2=COCCO2)CCO1)C(N)=O ZINC001407827164 889590512 /nfs/dbraw/zinc/59/05/12/889590512.db2.gz KWTVDPTVOOARNZ-UWVGGRQHSA-N 0 3 299.327 -1.435 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)[C@H]2COC(=O)N2)CCC1 ZINC001407783159 889590749 /nfs/dbraw/zinc/59/07/49/889590749.db2.gz DCPRXBCWWGZFQQ-SECBINFHSA-N 0 3 298.343 -1.141 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)ncn1 ZINC001407826877 889590786 /nfs/dbraw/zinc/59/07/86/889590786.db2.gz AHCYZKWMDDPAFJ-SNVBAGLBSA-N 0 3 293.327 -1.299 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cccnn2)CCO1)C(N)=O ZINC001407855362 889590808 /nfs/dbraw/zinc/59/08/08/889590808.db2.gz CRCRRLHIMPYCFL-NXEZZACHSA-N 0 3 293.327 -1.219 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)OC)CCO1 ZINC001407841783 889591149 /nfs/dbraw/zinc/59/11/49/889591149.db2.gz WLEGFNBAOVFNJD-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)N1CCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001407856876 889591303 /nfs/dbraw/zinc/59/13/03/889591303.db2.gz QINCFCXDWZNQNR-AEJSXWLSSA-N 0 3 298.343 -1.346 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001407828707 889591352 /nfs/dbraw/zinc/59/13/52/889591352.db2.gz BEDORBDBBIVFLS-JGVFFNPUSA-N 0 3 286.288 -2.603 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cnsn2)CCO1)C(N)=O ZINC001407829438 889591887 /nfs/dbraw/zinc/59/18/87/889591887.db2.gz ILMIAQCQOURSFD-HTQZYQBOSA-N 0 3 299.356 -1.158 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)OC)CCO1 ZINC001407828426 889591991 /nfs/dbraw/zinc/59/19/91/889591991.db2.gz HTZKSLNYSWUPHC-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CCn2cccn2)CCO1 ZINC001407835091 889592020 /nfs/dbraw/zinc/59/20/20/889592020.db2.gz MMBXPFLFELMNRN-LLVKDONJSA-N 0 3 295.343 -1.425 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)C2=COCCO2)CCO1)C(N)=O ZINC001407827169 889592044 /nfs/dbraw/zinc/59/20/44/889592044.db2.gz KWTVDPTVOOARNZ-VHSXEESVSA-N 0 3 299.327 -1.435 20 0 CAADHN CNC(=O)CNC1(CNC(=O)C[C@H]2CCNC2=O)CCC1 ZINC001407792747 889592424 /nfs/dbraw/zinc/59/24/24/889592424.db2.gz PMBNXZJJYGTPKD-SNVBAGLBSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 ZINC001407807687 889592560 /nfs/dbraw/zinc/59/25/60/889592560.db2.gz ZNAMCBNRNCQSNP-VIFPVBQESA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cccnn2)CCO1)C(N)=O ZINC001407855364 889592676 /nfs/dbraw/zinc/59/26/76/889592676.db2.gz CRCRRLHIMPYCFL-UWVGGRQHSA-N 0 3 293.327 -1.219 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001407881893 889593848 /nfs/dbraw/zinc/59/38/48/889593848.db2.gz XOXIBYNOXAVDKU-VIFPVBQESA-N 0 3 281.316 -1.746 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cnco2)CCO1)C(N)=O ZINC001407871714 889594280 /nfs/dbraw/zinc/59/42/80/889594280.db2.gz WYTHDKSRMMLEIZ-RKDXNWHRSA-N 0 3 282.300 -1.021 20 0 CAADHN COC[C@H](C)CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001407866732 889595898 /nfs/dbraw/zinc/59/58/98/889595898.db2.gz MQRSBJGQTBUQTM-GHMZBOCLSA-N 0 3 287.360 -1.039 20 0 CAADHN COC[C@@H](C)CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001407867495 889596251 /nfs/dbraw/zinc/59/62/51/889596251.db2.gz MQRSBJGQTBUQTM-WDEREUQCSA-N 0 3 287.360 -1.039 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cnco2)CCO1)C(N)=O ZINC001407871706 889596514 /nfs/dbraw/zinc/59/65/14/889596514.db2.gz WYTHDKSRMMLEIZ-BDAKNGLRSA-N 0 3 282.300 -1.021 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@@H]2CCOC2)CCOCC1 ZINC001408026349 889597391 /nfs/dbraw/zinc/59/73/91/889597391.db2.gz BZWHWPDZGBTXCC-SNVBAGLBSA-N 0 3 285.344 -1.237 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2CNC(=O)N2)CCOCC1 ZINC001408048285 889599206 /nfs/dbraw/zinc/59/92/06/889599206.db2.gz NEZYXOBZJXBBPB-MRVPVSSYSA-N 0 3 299.331 -2.592 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001408087920 889600875 /nfs/dbraw/zinc/60/08/75/889600875.db2.gz HUSAQCQMWLWXQJ-BDAKNGLRSA-N 0 3 295.347 -1.604 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC001408103735 889601273 /nfs/dbraw/zinc/60/12/73/889601273.db2.gz REZWNUPXEWYDFM-UWVGGRQHSA-N 0 3 280.332 -1.539 20 0 CAADHN CO[C@H](C)C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001408145137 889603866 /nfs/dbraw/zinc/60/38/66/889603866.db2.gz NYTUIZMOPRKZOX-SECBINFHSA-N 0 3 273.333 -1.550 20 0 CAADHN CC[C@H](OC)C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001408147876 889603951 /nfs/dbraw/zinc/60/39/51/889603951.db2.gz YNXOHWQVLMSXEC-JTQLQIEISA-N 0 3 287.360 -1.160 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001408176759 889604365 /nfs/dbraw/zinc/60/43/65/889604365.db2.gz KTJTXMFEYPBADR-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@@H](OC)C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001408147878 889605518 /nfs/dbraw/zinc/60/55/18/889605518.db2.gz YNXOHWQVLMSXEC-SNVBAGLBSA-N 0 3 287.360 -1.160 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001408166935 889605719 /nfs/dbraw/zinc/60/57/19/889605719.db2.gz ZROVINUSGLCDIW-UHFFFAOYSA-N 0 3 299.306 -1.409 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2cnccn2)CC1 ZINC001408148859 889605727 /nfs/dbraw/zinc/60/57/27/889605727.db2.gz BQMKBANKJMFDHA-UHFFFAOYSA-N 0 3 293.327 -1.481 20 0 CAADHN Cn1cncc1CC(=O)NC1(CO)CCN(CCO)CC1 ZINC001408280762 889607086 /nfs/dbraw/zinc/60/70/86/889607086.db2.gz LTHHZNAOGIOLBJ-UHFFFAOYSA-N 0 3 296.371 -1.102 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NC1(CO)CCN(CCO)CC1 ZINC001408281785 889607568 /nfs/dbraw/zinc/60/75/68/889607568.db2.gz VVPXGUWYYNKUMK-NSHDSACASA-N 0 3 299.371 -1.410 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@@H]1CCOC1 ZINC001408267090 889607678 /nfs/dbraw/zinc/60/76/78/889607678.db2.gz LYURMIABFYTSRH-LLVKDONJSA-N 0 3 272.345 -1.042 20 0 CAADHN CC[C@H](C(=O)N(C)CCNC(=O)Cn1ncnn1)N(C)C ZINC001408579022 889614157 /nfs/dbraw/zinc/61/41/57/889614157.db2.gz VVRHUZHPQYYTPJ-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN CN(CCNC(=O)Cn1ncnn1)C(=O)[C@@H]1CCCN1C ZINC001408578595 889614335 /nfs/dbraw/zinc/61/43/35/889614335.db2.gz ILHFBIRDQJYAPL-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN CC[C@@H](C(=O)NCCN(C)C(=O)c1nnn(C)n1)N(C)C ZINC001408694706 889620411 /nfs/dbraw/zinc/62/04/11/889620411.db2.gz XVBWVWJSTKMYOW-VIFPVBQESA-N 0 3 297.363 -1.262 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001409026139 889623416 /nfs/dbraw/zinc/62/34/16/889623416.db2.gz LCVJWKHIXVRKIF-JTQLQIEISA-N 0 3 296.371 -1.066 20 0 CAADHN CCC(=O)NCC(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001409038890 889624268 /nfs/dbraw/zinc/62/42/68/889624268.db2.gz KVXZLMOEVAXMKI-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC001409056145 889626830 /nfs/dbraw/zinc/62/68/30/889626830.db2.gz ZTVKBWGJSQIBJH-UHFFFAOYSA-N 0 3 295.347 -1.660 20 0 CAADHN C[C@@H](NC(=O)c1cnn(C)n1)[C@H](C)NCC(=O)N(C)C ZINC001409392633 889633326 /nfs/dbraw/zinc/63/33/26/889633326.db2.gz VYPQOKZNNFVRNC-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001409392652 889633626 /nfs/dbraw/zinc/63/36/26/889633626.db2.gz VYPQOKZNNFVRNC-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)c1cnn(C)n1 ZINC001409392642 889633936 /nfs/dbraw/zinc/63/39/36/889633936.db2.gz VYPQOKZNNFVRNC-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)c1cnn(C)n1 ZINC001409392627 889634385 /nfs/dbraw/zinc/63/43/85/889634385.db2.gz VYPQOKZNNFVRNC-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCn1cnnn1 ZINC001409408278 889635904 /nfs/dbraw/zinc/63/59/04/889635904.db2.gz PUGNKRBEEDXTCA-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cc2n(n1)CCO2 ZINC001409403280 889636015 /nfs/dbraw/zinc/63/60/15/889636015.db2.gz VJIDJTHRNOBDKB-YUMQZZPRSA-N 0 3 281.316 -1.143 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCn1cnnn1 ZINC001409408296 889637668 /nfs/dbraw/zinc/63/76/68/889637668.db2.gz PUGNKRBEEDXTCA-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001409397942 889638585 /nfs/dbraw/zinc/63/85/85/889638585.db2.gz MKAOYVDWDOVGBH-RKDXNWHRSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)COCc1nncn1C ZINC001409422165 889639386 /nfs/dbraw/zinc/63/93/86/889639386.db2.gz GZVACHZAEPILHP-IUCAKERBSA-N 0 3 298.347 -1.700 20 0 CAADHN C[C@H](CNC(=O)COCc1nncn1C)N(C)CCO ZINC001409657240 889640760 /nfs/dbraw/zinc/64/07/60/889640760.db2.gz OVDBMDHGXKZDSQ-SNVBAGLBSA-N 0 3 285.348 -1.240 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1)N(C)CC(=O)NC(N)=O ZINC001409674980 889641023 /nfs/dbraw/zinc/64/10/23/889641023.db2.gz HCTDTMPREMUQAS-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NC[C@H](C)N(C)CCO)C(N)=O ZINC001409649651 889643051 /nfs/dbraw/zinc/64/30/51/889643051.db2.gz WSMNJMDSPYPQIN-WPRPVWTQSA-N 0 3 288.348 -2.205 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2(CCO)CN(CCO)C2)C1 ZINC001409744646 889644111 /nfs/dbraw/zinc/64/41/11/889644111.db2.gz LXTCEBNVMPIVOK-LBPRGKRZSA-N 0 3 285.388 -1.127 20 0 CAADHN COC[C@H](O)CN1CC([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001409863551 889644436 /nfs/dbraw/zinc/64/44/36/889644436.db2.gz YNLLGPUITOJMSR-YUSALJHKSA-N 0 3 299.371 -1.291 20 0 CAADHN COC[C@@H](O)CN1CC([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001409863541 889645205 /nfs/dbraw/zinc/64/52/05/889645205.db2.gz YNLLGPUITOJMSR-ADEWGFFLSA-N 0 3 299.371 -1.291 20 0 CAADHN COC[C@@H](O)CN1CC([C@H](C)NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001409863558 889646630 /nfs/dbraw/zinc/64/66/30/889646630.db2.gz YNLLGPUITOJMSR-ZMLRMANQSA-N 0 3 299.371 -1.291 20 0 CAADHN COC[C@H](O)CN1CC([C@H](C)NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001409863545 889646741 /nfs/dbraw/zinc/64/67/41/889646741.db2.gz YNLLGPUITOJMSR-MVWJERBFSA-N 0 3 299.371 -1.291 20 0 CAADHN COCCN1CC([C@H](C)NC(=O)CN2CCNC(=O)C2)C1 ZINC001409925661 889648587 /nfs/dbraw/zinc/64/85/87/889648587.db2.gz RBVLNDHHOCHGLU-NSHDSACASA-N 0 3 298.387 -1.499 20 0 CAADHN C[C@H](NC(=O)CN1CCOCC1=O)C1CN(CCCO)C1 ZINC001409915089 889649577 /nfs/dbraw/zinc/64/95/77/889649577.db2.gz LBYQBWNJYUZPFL-NSHDSACASA-N 0 3 299.371 -1.336 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)CCn1cnnn1 ZINC001410013476 889649805 /nfs/dbraw/zinc/64/98/05/889649805.db2.gz BWGOMDSEFOJJNI-JTQLQIEISA-N 0 3 282.348 -1.118 20 0 CAADHN C[C@@H](O)CN1CC([C@H](C)NC(=O)CN2CCOCC2=O)C1 ZINC001409899353 889650005 /nfs/dbraw/zinc/65/00/05/889650005.db2.gz CQLVDOGCUVKHCO-MNOVXSKESA-N 0 3 299.371 -1.338 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@@H]2[C@@H](CNC(=O)CNC(C)=O)[C@@H]2C1 ZINC001410030193 889650109 /nfs/dbraw/zinc/65/01/09/889650109.db2.gz GULBKTDOZBHDBX-HKWIRBFKSA-N 0 3 296.371 -1.449 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNC(=O)c1cn[nH]c1)N(C)C ZINC001410093289 889660866 /nfs/dbraw/zinc/66/08/66/889660866.db2.gz NODVHJADSSJARZ-GHMZBOCLSA-N 0 3 297.359 -1.043 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC001410150123 889664800 /nfs/dbraw/zinc/66/48/00/889664800.db2.gz FDPHMAHWBGSAGF-HMUNZLOLSA-N 0 3 297.355 -1.430 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001410140164 889664923 /nfs/dbraw/zinc/66/49/23/889664923.db2.gz GCVLQRVUNHNLGD-WCBMZHEXSA-N 0 3 281.316 -1.286 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001410158867 889665023 /nfs/dbraw/zinc/66/50/23/889665023.db2.gz QMBQJRBVTBRHPO-MWLCHTKSSA-N 0 3 295.343 -1.357 20 0 CAADHN C[C@@H](NCCF)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001410146266 889665096 /nfs/dbraw/zinc/66/50/96/889665096.db2.gz IOFWNANLMAPXMS-NXEZZACHSA-N 0 3 286.311 -1.152 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001410158869 889665134 /nfs/dbraw/zinc/66/51/34/889665134.db2.gz QMBQJRBVTBRHPO-ONGXEEELSA-N 0 3 295.343 -1.357 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NCC(=O)NC1CC1 ZINC001410352601 889670816 /nfs/dbraw/zinc/67/08/16/889670816.db2.gz STJQDULWYULNRP-GXSJLCMTSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001410310749 889671223 /nfs/dbraw/zinc/67/12/23/889671223.db2.gz OVALLHQDGRZADK-LBPRGKRZSA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)CCNC(N)=O ZINC001410322910 889671856 /nfs/dbraw/zinc/67/18/56/889671856.db2.gz FJPCIVICUARFOS-JTQLQIEISA-N 0 3 299.375 -1.383 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001410287633 889672361 /nfs/dbraw/zinc/67/23/61/889672361.db2.gz XWQMYSIJAPCVES-NSHDSACASA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](CN(C)C(=O)Cc1cnoc1)NCC(=O)NC(N)=O ZINC001410421307 889673199 /nfs/dbraw/zinc/67/31/99/889673199.db2.gz DMCLRHBZOXYTAE-QMMMGPOBSA-N 0 3 297.315 -1.152 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NCC(=O)NC1CC1 ZINC001410352611 889674201 /nfs/dbraw/zinc/67/42/01/889674201.db2.gz STJQDULWYULNRP-MWLCHTKSSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NCC(N)=O ZINC001410383083 889674340 /nfs/dbraw/zinc/67/43/40/889674340.db2.gz NEKOHVPBDGYLDT-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O ZINC001410395318 889675134 /nfs/dbraw/zinc/67/51/34/889675134.db2.gz NYTQEUQTQZHIQG-SFYZADRCSA-N 0 3 273.337 -1.774 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)NCC(N)=O ZINC001410424809 889675384 /nfs/dbraw/zinc/67/53/84/889675384.db2.gz OFLFVMAWAJYQFO-BDAKNGLRSA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NCC(N)=O ZINC001410383098 889675395 /nfs/dbraw/zinc/67/53/95/889675395.db2.gz NEKOHVPBDGYLDT-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001410447024 889676363 /nfs/dbraw/zinc/67/63/63/889676363.db2.gz YEDWYRRCMFFXAK-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN C[C@@H](CN(C)C(=O)CCN1CCCC1=O)NCC(N)=O ZINC001410501327 889676531 /nfs/dbraw/zinc/67/65/31/889676531.db2.gz JONUMBISROGMCY-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)N[C@H]1CCCNC1=O ZINC001410468739 889677155 /nfs/dbraw/zinc/67/71/55/889677155.db2.gz FHABLILLXILYPX-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)N[C@@H]1CCCNC1=O ZINC001410468741 889677304 /nfs/dbraw/zinc/67/73/04/889677304.db2.gz FHABLILLXILYPX-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](CO)NCCn2cncn2)n1 ZINC001410651601 889695843 /nfs/dbraw/zinc/69/58/43/889695843.db2.gz WXPWWGWFQWZJAV-SECBINFHSA-N 0 3 294.319 -2.213 20 0 CAADHN Cc1ncc(CN[C@H](CO)CNC(=O)c2cn[nH]n2)cn1 ZINC001410687227 889698297 /nfs/dbraw/zinc/69/82/97/889698297.db2.gz LWBRUPQXUKEAPD-JTQLQIEISA-N 0 3 291.315 -1.216 20 0 CAADHN CN1CCCC[C@@H]1C(=O)NC[C@H](CO)NCC(N)=O ZINC001410686951 889700010 /nfs/dbraw/zinc/70/00/10/889700010.db2.gz WIVVOXCOGAQIED-NXEZZACHSA-N 0 3 272.349 -1.977 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NCc1cn(C)nn1)N(C)C ZINC001410749217 889709050 /nfs/dbraw/zinc/70/90/50/889709050.db2.gz HUHMVDQJAXUDKD-VXGBXAGGSA-N 0 3 298.391 -1.278 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001410738044 889710227 /nfs/dbraw/zinc/71/02/27/889710227.db2.gz ZZMKGOSAQZYERD-WPRPVWTQSA-N 0 3 298.347 -2.062 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001410738044 889710233 /nfs/dbraw/zinc/71/02/33/889710233.db2.gz ZZMKGOSAQZYERD-WPRPVWTQSA-N 0 3 298.347 -2.062 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NCc1cn(C)nn1)N(C)C ZINC001410749214 889711894 /nfs/dbraw/zinc/71/18/94/889711894.db2.gz HUHMVDQJAXUDKD-NWDGAFQWSA-N 0 3 298.391 -1.278 20 0 CAADHN CCNC(=O)CN[C@H](CO)CNC(=O)CN1CCCC1 ZINC001410780355 889714797 /nfs/dbraw/zinc/71/47/97/889714797.db2.gz FFQRERRNXUULKX-NSHDSACASA-N 0 3 286.376 -1.715 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001410805474 889716798 /nfs/dbraw/zinc/71/67/98/889716798.db2.gz RMDWNFSQCJZCPF-WCBMZHEXSA-N 0 3 270.333 -1.471 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001410819486 889718487 /nfs/dbraw/zinc/71/84/87/889718487.db2.gz QBYCVYOTYJENQA-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001410819512 889719079 /nfs/dbraw/zinc/71/90/79/889719079.db2.gz QBYCVYOTYJENQA-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)Cn1ccnc1C ZINC001410795971 889719556 /nfs/dbraw/zinc/71/95/56/889719556.db2.gz YIAACANIKPPPAY-SNVBAGLBSA-N 0 3 283.332 -1.996 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC001410818711 889719589 /nfs/dbraw/zinc/71/95/89/889719589.db2.gz MDIJKMYLGCRDDT-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](NCCF)C[C@@H]1C ZINC001410863539 889721415 /nfs/dbraw/zinc/72/14/15/889721415.db2.gz NBOLHECTSGPDHW-IUCAKERBSA-N 0 3 296.368 -1.411 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2nccnc2N)C1 ZINC001410834963 889721537 /nfs/dbraw/zinc/72/15/37/889721537.db2.gz HPELPTMGYYTCDC-BDAKNGLRSA-N 0 3 292.343 -1.003 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2nccnc2N)C1 ZINC001410834973 889722540 /nfs/dbraw/zinc/72/25/40/889722540.db2.gz HPELPTMGYYTCDC-RKDXNWHRSA-N 0 3 292.343 -1.003 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)C1=COCCO1)C(N)=O ZINC001410974641 889724723 /nfs/dbraw/zinc/72/47/23/889724723.db2.gz HQWFOHJUTRNUKA-IUCAKERBSA-N 0 3 287.316 -1.843 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2COCCO2)CC1(C)C ZINC001410942018 889724771 /nfs/dbraw/zinc/72/47/71/889724771.db2.gz NLAIRCBVHLJXRW-WDEREUQCSA-N 0 3 299.371 -1.026 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CCCCO1 ZINC001410997011 889724840 /nfs/dbraw/zinc/72/48/40/889724840.db2.gz WNXJXEWPBORMIY-NXEZZACHSA-N 0 3 273.333 -1.550 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](N[C@@H](C)C(N)=O)C(C)(C)C1 ZINC001410941076 889725334 /nfs/dbraw/zinc/72/53/34/889725334.db2.gz LJMCWJANDBRPCE-WCBMZHEXSA-N 0 3 284.360 -1.177 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CCCCO1 ZINC001410997025 889725507 /nfs/dbraw/zinc/72/55/07/889725507.db2.gz WNXJXEWPBORMIY-UWVGGRQHSA-N 0 3 273.333 -1.550 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001410979536 889725615 /nfs/dbraw/zinc/72/56/15/889725615.db2.gz JYPXXOOCHZIPSG-MNOVXSKESA-N 0 3 297.359 -1.574 20 0 CAADHN C[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)n1cccc1 ZINC001410991321 889725731 /nfs/dbraw/zinc/72/57/31/889725731.db2.gz UEHPZFUHBIWCBH-GHMZBOCLSA-N 0 3 282.344 -1.057 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)C1=CCOCC1 ZINC001410987427 889726000 /nfs/dbraw/zinc/72/60/00/889726000.db2.gz QVPMNYKXZAIBNR-LBPRGKRZSA-N 0 3 299.371 -1.122 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)COC ZINC001410987565 889726039 /nfs/dbraw/zinc/72/60/39/889726039.db2.gz SFYKJBMDWUSUEN-UWVGGRQHSA-N 0 3 275.349 -1.576 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001410987260 889726275 /nfs/dbraw/zinc/72/62/75/889726275.db2.gz QLALWFWKFDFRQI-MNOVXSKESA-N 0 3 289.376 -1.092 20 0 CAADHN CC[C@@H](OC)C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001410972049 889726518 /nfs/dbraw/zinc/72/65/18/889726518.db2.gz FVCIHPVLVVARHG-GHMZBOCLSA-N 0 3 289.376 -1.092 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnsn1 ZINC001410984442 889726581 /nfs/dbraw/zinc/72/65/81/889726581.db2.gz OKWOBDIOHRISSE-SFYZADRCSA-N 0 3 299.356 -1.551 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001410980454 889726684 /nfs/dbraw/zinc/72/66/84/889726684.db2.gz LMUKKZHFUWMKNE-VIFPVBQESA-N 0 3 287.316 -1.971 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)[C@@H]2COCCO2)CC1(C)C ZINC001410942016 889726777 /nfs/dbraw/zinc/72/67/77/889726777.db2.gz NLAIRCBVHLJXRW-QWRGUYRKSA-N 0 3 299.371 -1.026 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CCCCO1 ZINC001410997057 889726874 /nfs/dbraw/zinc/72/68/74/889726874.db2.gz WNXJXEWPBORMIY-ZJUUUORDSA-N 0 3 273.333 -1.550 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C1=CCOCC1 ZINC001410977590 889727036 /nfs/dbraw/zinc/72/70/36/889727036.db2.gz JHWLVZVRATZCLT-VXGBXAGGSA-N 0 3 297.355 -1.370 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001411053529 889728048 /nfs/dbraw/zinc/72/80/48/889728048.db2.gz QSMMWXIRXGKSDG-WDMOLILDSA-N 0 3 299.371 -1.160 20 0 CAADHN CCn1nncc1C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001411064683 889728203 /nfs/dbraw/zinc/72/82/03/889728203.db2.gz LJHCEVSXABAHMS-VIFPVBQESA-N 0 3 298.347 -1.934 20 0 CAADHN C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001411080143 889728362 /nfs/dbraw/zinc/72/83/62/889728362.db2.gz OQWJGNTVHROICG-DTWKUNHWSA-N 0 3 284.316 -1.415 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnco1)C(N)=O ZINC001411079412 889729129 /nfs/dbraw/zinc/72/91/29/889729129.db2.gz RWJNGKOFIMXBHI-HTQZYQBOSA-N 0 3 270.289 -1.429 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001411083440 889729220 /nfs/dbraw/zinc/72/92/20/889729220.db2.gz ZXTZHKVRDTTXLU-DTWKUNHWSA-N 0 3 299.335 -2.784 20 0 CAADHN CCC(=O)N(C)C[C@H](O)CN[C@H](C)C(=O)NC(=O)NC ZINC001411013391 889729310 /nfs/dbraw/zinc/72/93/10/889729310.db2.gz KMKKNCZWFOOINH-RKDXNWHRSA-N 0 3 288.348 -1.351 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1n[nH]cc1C ZINC001411066774 889729495 /nfs/dbraw/zinc/72/94/95/889729495.db2.gz NODBYPBYAGUQDR-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001411083437 889729606 /nfs/dbraw/zinc/72/96/06/889729606.db2.gz ZXTZHKVRDTTXLU-BDAKNGLRSA-N 0 3 299.335 -2.784 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001411063670 889729642 /nfs/dbraw/zinc/72/96/42/889729642.db2.gz KFLXUGGMMJPSJE-JGVFFNPUSA-N 0 3 285.308 -3.044 20 0 CAADHN C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001411080149 889729834 /nfs/dbraw/zinc/72/98/34/889729834.db2.gz OQWJGNTVHROICG-IUCAKERBSA-N 0 3 284.316 -1.415 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1n[nH]c(C)c1C ZINC001411004448 889730197 /nfs/dbraw/zinc/73/01/97/889730197.db2.gz KGTRGYOJOWDDBQ-JTQLQIEISA-N 0 3 297.359 -1.205 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1ccncc1 ZINC001411070740 889730233 /nfs/dbraw/zinc/73/02/33/889730233.db2.gz YFZQUITXHYSBDD-LBPRGKRZSA-N 0 3 294.355 -1.092 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1ncn(C)n1)C(N)=O ZINC001411076404 889730336 /nfs/dbraw/zinc/73/03/36/889730336.db2.gz QMMVSKZMYSHIFZ-DTWKUNHWSA-N 0 3 298.347 -1.899 20 0 CAADHN Cc1ccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1C ZINC001411005848 889730803 /nfs/dbraw/zinc/73/08/03/889730803.db2.gz YWTNVBBSTHIXLE-JTQLQIEISA-N 0 3 282.344 -1.159 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1n[nH]cc1C ZINC001411062418 889730895 /nfs/dbraw/zinc/73/08/95/889730895.db2.gz JCQWTIXDXSRQMY-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cncc(F)c1 ZINC001411000287 889730928 /nfs/dbraw/zinc/73/09/28/889730928.db2.gz YGAVJCFZOWRAFE-NSHDSACASA-N 0 3 298.318 -1.011 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)CC1(O)CCC1)C(N)=O ZINC001411072099 889730964 /nfs/dbraw/zinc/73/09/64/889730964.db2.gz QGDMMKYDEWFVIK-VHSXEESVSA-N 0 3 287.360 -1.426 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1ccon1 ZINC001411043523 889731012 /nfs/dbraw/zinc/73/10/12/889731012.db2.gz CKTYFEXHOZOTJH-SNVBAGLBSA-N 0 3 284.316 -1.499 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)CC1(O)CCC1)C(N)=O ZINC001411072102 889731086 /nfs/dbraw/zinc/73/10/86/889731086.db2.gz QGDMMKYDEWFVIK-ZJUUUORDSA-N 0 3 287.360 -1.426 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1ccncn1)C(N)=O ZINC001411133779 889732669 /nfs/dbraw/zinc/73/26/69/889732669.db2.gz XVJDLOBGOXGDFU-UWVGGRQHSA-N 0 3 295.343 -1.237 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cccc(=O)n1C ZINC001411091578 889733333 /nfs/dbraw/zinc/73/33/33/889733333.db2.gz GOMHUOIFZKDLOY-SECBINFHSA-N 0 3 296.327 -2.107 20 0 CAADHN Cc1nnc(C[NH2+]C[C@H](O)CN(C)C(=O)c2ncn[n-]2)o1 ZINC001411122174 889733862 /nfs/dbraw/zinc/73/38/62/889733862.db2.gz HEOJXQQYIFVODB-QMMMGPOBSA-N 0 3 295.303 -1.281 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cc1cscn1 ZINC001411099541 889734983 /nfs/dbraw/zinc/73/49/83/889734983.db2.gz GXUAINPHAGUJGX-SECBINFHSA-N 0 3 286.357 -1.420 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)Cc1cnoc1 ZINC001411088931 889734300 /nfs/dbraw/zinc/73/43/00/889734300.db2.gz LOMNPBHASQWEER-GHMZBOCLSA-N 0 3 296.327 -1.486 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001411125875 889734367 /nfs/dbraw/zinc/73/43/67/889734367.db2.gz MOOMMRIQHLDWQH-MNOVXSKESA-N 0 3 297.359 -1.574 20 0 CAADHN CN(C[C@@H](O)C[N@H+](C)CCCO)C(=O)c1cnc[n-]c1=O ZINC001411168696 889737307 /nfs/dbraw/zinc/73/73/07/889737307.db2.gz QHLKXGISWNXRSQ-JTQLQIEISA-N 0 3 298.343 -1.071 20 0 CAADHN CN(C[C@@H](O)C[N@@H+](C)CCCO)C(=O)c1cnc[n-]c1=O ZINC001411168696 889737316 /nfs/dbraw/zinc/73/73/16/889737316.db2.gz QHLKXGISWNXRSQ-JTQLQIEISA-N 0 3 298.343 -1.071 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001411168644 889737469 /nfs/dbraw/zinc/73/74/69/889737469.db2.gz JFMJIDXIMGLDKU-GFCCVEGCSA-N 0 3 284.360 -1.294 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@@H](O)CN(C)[C@H](C)C(N)=O)[nH]1 ZINC001411162159 889738275 /nfs/dbraw/zinc/73/82/75/889738275.db2.gz HZBNHSBHFKHVDP-SCZZXKLOSA-N 0 3 297.359 -1.043 20 0 CAADHN CCn1cc(CC(=O)N(C)C[C@H](O)CNCC(N)=O)cn1 ZINC001411153655 889738742 /nfs/dbraw/zinc/73/87/42/889738742.db2.gz UAUHGEJWOQEYJJ-LLVKDONJSA-N 0 3 297.359 -1.660 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1coc(C(N)=O)c1 ZINC001411173653 889739365 /nfs/dbraw/zinc/73/93/65/889739365.db2.gz QEOAFPHTMIAVND-JTQLQIEISA-N 0 3 299.327 -1.265 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001411150572 889739429 /nfs/dbraw/zinc/73/94/29/889739429.db2.gz WTUMJWHNJOTMHI-PSASIEDQSA-N 0 3 296.327 -1.317 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)CNC(=O)OC ZINC001411152869 889740311 /nfs/dbraw/zinc/74/03/11/889740311.db2.gz OACIUPBOHSXXDN-JTQLQIEISA-N 0 3 291.348 -1.260 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001411177340 889741947 /nfs/dbraw/zinc/74/19/47/889741947.db2.gz CLNZNCVGUFEIJS-IUCAKERBSA-N 0 3 274.321 -2.589 20 0 CAADHN Cc1nonc1CC(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001411185255 889744447 /nfs/dbraw/zinc/74/44/47/889744447.db2.gz ZKMUZYWZMWQUJM-JTQLQIEISA-N 0 3 286.332 -1.336 20 0 CAADHN COCCN(CCNC(=O)[C@@H]1COC(=O)N1)C[C@H](C)O ZINC001411224536 889744786 /nfs/dbraw/zinc/74/47/86/889744786.db2.gz DNCLGIVHDYTKIV-UWVGGRQHSA-N 0 3 289.332 -1.460 20 0 CAADHN Cc1nonc1CC(=O)N(C)C[C@H](O)CN(C)CCO ZINC001411185257 889745034 /nfs/dbraw/zinc/74/50/34/889745034.db2.gz ZKMUZYWZMWQUJM-SNVBAGLBSA-N 0 3 286.332 -1.336 20 0 CAADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C1(O)COC1 ZINC001412041230 889783544 /nfs/dbraw/zinc/78/35/44/889783544.db2.gz HNIWSUJWEBWNAB-LLVKDONJSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C1(O)COC1 ZINC001412041233 889783916 /nfs/dbraw/zinc/78/39/16/889783916.db2.gz HNIWSUJWEBWNAB-NSHDSACASA-N 0 3 271.361 -1.110 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H](O)c1cnn(C)c1 ZINC001412044669 889785217 /nfs/dbraw/zinc/78/52/17/889785217.db2.gz SNVTTXKTDVFZSI-NSHDSACASA-N 0 3 270.333 -1.116 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N1CC[C@@H](N2CCC2)C1)C(N)=O ZINC001412361533 889814304 /nfs/dbraw/zinc/81/43/04/889814304.db2.gz CVEHZXLVWDNFID-MNOVXSKESA-N 0 3 282.344 -1.327 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N1CC[C@H](N2CCC2)C1)C(N)=O ZINC001412361534 889814911 /nfs/dbraw/zinc/81/49/11/889814911.db2.gz CVEHZXLVWDNFID-QWRGUYRKSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(C)C1(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CCC1 ZINC001412397404 889821713 /nfs/dbraw/zinc/82/17/13/889821713.db2.gz IUCQGYVFZXRDSQ-RKDXNWHRSA-N 0 3 282.344 -1.484 20 0 CAADHN CN(C)C1(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CCC1 ZINC001412397402 889822591 /nfs/dbraw/zinc/82/25/91/889822591.db2.gz IUCQGYVFZXRDSQ-IUCAKERBSA-N 0 3 282.344 -1.484 20 0 CAADHN CN(CC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)C1CCC1 ZINC001412413624 889827483 /nfs/dbraw/zinc/82/74/83/889827483.db2.gz WZYULROSKJOAQM-UWVGGRQHSA-N 0 3 282.344 -1.484 20 0 CAADHN COCCN1CCC(NC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001412457984 889831453 /nfs/dbraw/zinc/83/14/53/889831453.db2.gz STTIQOBBUTZNGZ-SNVBAGLBSA-N 0 3 288.348 -1.757 20 0 CAADHN O=C(CCN1CC[C@H](F)C1)NC[C@@]1(CO)COCCN1 ZINC001412465698 889835415 /nfs/dbraw/zinc/83/54/15/889835415.db2.gz NFMWNOQQHUQUSR-WCQYABFASA-N 0 3 289.351 -1.113 20 0 CAADHN Nc1nnn(CC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)n1 ZINC001412481209 889837041 /nfs/dbraw/zinc/83/70/41/889837041.db2.gz ZZZLBTYMLCLSRS-DTWKUNHWSA-N 0 3 281.320 -1.765 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N[C@@]12CCN(C1)CCC2 ZINC001412494795 889840099 /nfs/dbraw/zinc/84/00/99/889840099.db2.gz SQYFMIRAXQSKEM-NSHDSACASA-N 0 3 290.389 -1.263 20 0 CAADHN NC(=O)NC1(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)CC1 ZINC001412519680 889841618 /nfs/dbraw/zinc/84/16/18/889841618.db2.gz GJSHTONJEJNOGV-VHSXEESVSA-N 0 3 282.344 -1.145 20 0 CAADHN C[C@H](CNC(=O)Cn1nnc(N)n1)CN1CCN(C)CC1 ZINC001412525286 889847068 /nfs/dbraw/zinc/84/70/68/889847068.db2.gz FBZATIZDYUYDMH-SNVBAGLBSA-N 0 3 296.379 -1.745 20 0 CAADHN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCN(C)CCO ZINC001412610859 889856501 /nfs/dbraw/zinc/85/65/01/889856501.db2.gz SAWQKFCXZFYNJU-MWLCHTKSSA-N 0 3 287.360 -1.698 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001412638244 889859895 /nfs/dbraw/zinc/85/98/95/889859895.db2.gz DWOLMSBRARLMSD-KXUCPTDWSA-N 0 3 295.347 -1.613 20 0 CAADHN COCC(=O)NCCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001412683545 889866619 /nfs/dbraw/zinc/86/66/19/889866619.db2.gz AYRMZYSDJNKIJR-SNVBAGLBSA-N 0 3 285.344 -1.272 20 0 CAADHN NC(=O)Cn1cc(C(=O)N2CC(N[C@H]3CCOC3)C2)nn1 ZINC001412692244 889867156 /nfs/dbraw/zinc/86/71/56/889867156.db2.gz HWSDCRNLTMQSRD-QMMMGPOBSA-N 0 3 294.315 -2.034 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)CN(C)C(C)C ZINC001412786800 889887793 /nfs/dbraw/zinc/88/77/93/889887793.db2.gz CDCPDXZXYPOZKU-MNOVXSKESA-N 0 3 289.376 -1.045 20 0 CAADHN CN1CCN(CC(=O)NCCN2CCC(O)CC2)CC1 ZINC001412842325 889897352 /nfs/dbraw/zinc/89/73/52/889897352.db2.gz YDXZOJFEBKVIBB-UHFFFAOYSA-N 0 3 284.404 -1.193 20 0 CAADHN CC(C)(CNC(N)=O)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC001412891046 889905838 /nfs/dbraw/zinc/90/58/38/889905838.db2.gz NGNFKMPICXCXQP-JTQLQIEISA-N 0 3 283.376 -1.061 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC001412943186 889915564 /nfs/dbraw/zinc/91/55/64/889915564.db2.gz RBHNJZJYDWYFLR-LPEHRKFASA-N 0 3 281.378 -1.767 20 0 CAADHN COC(=O)c1cn([C@@H]2CCN(C[C@@H](O)CO)C2)nn1 ZINC001412967072 889917501 /nfs/dbraw/zinc/91/75/01/889917501.db2.gz QCPKGKFPTGXOLZ-RKDXNWHRSA-N 0 3 270.289 -1.335 20 0 CAADHN NS(=O)(=O)NC1CCN(C[C@H](O)C2(O)CCC2)CC1 ZINC001413035271 889927681 /nfs/dbraw/zinc/92/76/81/889927681.db2.gz OMPZYNFWQITTQH-JTQLQIEISA-N 0 3 293.389 -1.480 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CC[C@@H](CS(N)(=O)=O)C1 ZINC001413066577 889935067 /nfs/dbraw/zinc/93/50/67/889935067.db2.gz MSQORFALDNNLGN-SCZZXKLOSA-N 0 3 280.346 -1.479 20 0 CAADHN COC(=O)[C@](C)(O)CN1CC[C@H](CS(N)(=O)=O)C1 ZINC001413066595 889936620 /nfs/dbraw/zinc/93/66/20/889936620.db2.gz MSQORFALDNNLGN-WCBMZHEXSA-N 0 3 280.346 -1.479 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1cnc(N)n1 ZINC001413197187 889946816 /nfs/dbraw/zinc/94/68/16/889946816.db2.gz XZNDDQXQEVIFMX-VIFPVBQESA-N 0 3 295.347 -1.561 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001413204895 889947411 /nfs/dbraw/zinc/94/74/11/889947411.db2.gz WILCJGSMQSBERJ-SNVBAGLBSA-N 0 3 298.343 -1.157 20 0 CAADHN Cn1nc2c(c1CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)CCC2 ZINC001413233509 889948997 /nfs/dbraw/zinc/94/89/97/889948997.db2.gz ANMVDJUIIHPBCQ-UWVGGRQHSA-N 0 3 291.355 -1.073 20 0 CAADHN Cn1nc2c(c1CN1C[C@H](C(N)=O)[C@H](C(N)=O)C1)CCC2 ZINC001413233492 889950357 /nfs/dbraw/zinc/95/03/57/889950357.db2.gz ANMVDJUIIHPBCQ-AOOOYVTPSA-N 0 3 291.355 -1.073 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001413323430 889965236 /nfs/dbraw/zinc/96/52/36/889965236.db2.gz BFFFQAFWTPZYJO-VHSXEESVSA-N 0 3 273.333 -1.598 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@]12CCN(C1)CCC2 ZINC001413454561 889986531 /nfs/dbraw/zinc/98/65/31/889986531.db2.gz OKZUCGSOEJTKEO-JTQLQIEISA-N 0 3 276.362 -1.605 20 0 CAADHN CC(C)C(=O)N[C@@H](CO)C(=O)NCCN(C)CCO ZINC001413572593 889998105 /nfs/dbraw/zinc/99/81/05/889998105.db2.gz DWULJCJEVZLOHP-JTQLQIEISA-N 0 3 275.349 -1.840 20 0 CAADHN CN(CCO)CCNC(=O)c1cnn(C)c1-n1cnnc1 ZINC001413575933 890001526 /nfs/dbraw/zinc/00/15/26/890001526.db2.gz VJUSKYXOGHUSPX-UHFFFAOYSA-N 0 3 293.331 -1.345 20 0 CAADHN O=C(c1nc2n(n1)CCCN2)N1CC(N[C@H]2CCOC2)C1 ZINC001413683555 890003764 /nfs/dbraw/zinc/00/37/64/890003764.db2.gz FWHBIPCQNFIBNE-VIFPVBQESA-N 0 3 292.343 -1.446 20 0 CAADHN CN(CC(=O)N1CC(N[C@H]2CCOC2)C1)S(C)(=O)=O ZINC001413680037 890004725 /nfs/dbraw/zinc/00/47/25/890004725.db2.gz BQTYNZSYKOCHED-VIFPVBQESA-N 0 3 291.373 -1.533 20 0 CAADHN CN(CC(=O)N1CC(N[C@@H]2CCOC2)C1)S(C)(=O)=O ZINC001413680026 890005084 /nfs/dbraw/zinc/00/50/84/890005084.db2.gz BQTYNZSYKOCHED-SECBINFHSA-N 0 3 291.373 -1.533 20 0 CAADHN O=C(c1nc2n(n1)CCCN2)N1CC(N[C@@H]2CCOC2)C1 ZINC001413683552 890005945 /nfs/dbraw/zinc/00/59/45/890005945.db2.gz FWHBIPCQNFIBNE-SECBINFHSA-N 0 3 292.343 -1.446 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001413694541 890008975 /nfs/dbraw/zinc/00/89/75/890008975.db2.gz UKSQLAIHBIPTQB-CBAPKCEASA-N 0 3 272.305 -2.395 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001413694557 890009027 /nfs/dbraw/zinc/00/90/27/890009027.db2.gz UKSQLAIHBIPTQB-VXNVDRBHSA-N 0 3 272.305 -2.395 20 0 CAADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CS(C)(=O)=O)CCN1C ZINC001413742414 890010720 /nfs/dbraw/zinc/01/07/20/890010720.db2.gz ZSYTXHWESLSOKR-OPRDCNLKSA-N 0 3 278.374 -1.152 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@H]2CC(C(N)=O)=NO2)C1 ZINC001413808476 890013313 /nfs/dbraw/zinc/01/33/13/890013313.db2.gz DNNZIIVVUJSXBG-PRHODGIISA-N 0 3 299.331 -2.018 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CC(C(N)=O)=NO2)C1 ZINC001413808511 890013683 /nfs/dbraw/zinc/01/36/83/890013683.db2.gz DNNZIIVVUJSXBG-QPUJVOFHSA-N 0 3 299.331 -2.018 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@H]2CNC(=O)C2)C1 ZINC001413862972 890019763 /nfs/dbraw/zinc/01/97/63/890019763.db2.gz YIQKYVBEEPBZHL-BXKDBHETSA-N 0 3 270.333 -1.512 20 0 CAADHN CCN(CCO)CCNC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC001413898213 890024054 /nfs/dbraw/zinc/02/40/54/890024054.db2.gz OGQIUGCTVREWPM-MGCOHNPYSA-N 0 3 272.349 -1.136 20 0 CAADHN COCCN1CC[C@H](NC(=O)NCc2nc(N)n[nH]2)C1 ZINC001413903765 890024366 /nfs/dbraw/zinc/02/43/66/890024366.db2.gz RRZWJUZDTMZWJG-QMMMGPOBSA-N 0 3 283.336 -1.093 20 0 CAADHN COCCN1CC[C@@H](NC(=O)NCc2nc(N)n[nH]2)C1 ZINC001413903764 890026965 /nfs/dbraw/zinc/02/69/65/890026965.db2.gz RRZWJUZDTMZWJG-MRVPVSSYSA-N 0 3 283.336 -1.093 20 0 CAADHN NC(=O)N1CCCN(C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001413956817 890031444 /nfs/dbraw/zinc/03/14/44/890031444.db2.gz NXFWTHPKKIYGEZ-LLVKDONJSA-N 0 3 287.360 -1.025 20 0 CAADHN C[C@H](NC(=O)NC[C@]1(O)CCN(C)C1)C1N=NC(=O)N1C ZINC001413958291 890032869 /nfs/dbraw/zinc/03/28/69/890032869.db2.gz SGNQTWFUBDKVQE-QPUJVOFHSA-N 0 3 298.347 -1.053 20 0 CAADHN O=c1[nH]ccn2c(CN3CCN4C[C@H](O)C[C@H]4C3)nnc12 ZINC001414013212 890035437 /nfs/dbraw/zinc/03/54/37/890035437.db2.gz JXYBZBUZEUTYAG-VHSXEESVSA-N 0 3 290.327 -1.332 20 0 CAADHN CO[C@@H]1CN(C[C@@H](O)CC2(O)CCOCC2)C[C@H]1O ZINC001413995610 890035497 /nfs/dbraw/zinc/03/54/97/890035497.db2.gz ZWWJUYJWDRKLMF-QJPTWQEYSA-N 0 3 275.345 -1.030 20 0 CAADHN NC(=O)NC(=O)CCCN1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001414001166 890037557 /nfs/dbraw/zinc/03/75/57/890037557.db2.gz UPBNNJNPWXJTFT-RKDXNWHRSA-N 0 3 284.316 -1.449 20 0 CAADHN CO[C@@H]1CN(C[C@H](O)CC2(O)CCOCC2)C[C@H]1O ZINC001413995562 890038574 /nfs/dbraw/zinc/03/85/74/890038574.db2.gz ZWWJUYJWDRKLMF-IJLUTSLNSA-N 0 3 275.345 -1.030 20 0 CAADHN OC[C@@H]1CN(C[C@H](O)C[C@@]2(O)CCOC2)CC[C@@H]1O ZINC001413999226 890039223 /nfs/dbraw/zinc/03/92/23/890039223.db2.gz KRJQXLBPBCWDBZ-RNJOBUHISA-N 0 3 275.345 -1.436 20 0 CAADHN NC(=O)CN(CCC(=O)NC(N)=O)C1CCOCC1 ZINC001414040758 890041213 /nfs/dbraw/zinc/04/12/13/890041213.db2.gz WNWPBYOZCOOGEL-UHFFFAOYSA-N 0 3 272.305 -1.462 20 0 CAADHN CCN(CCO)CCNC(=O)Nc1cn(C)nc1C(N)=O ZINC001414494394 890064163 /nfs/dbraw/zinc/06/41/63/890064163.db2.gz OJDZGFBDCCWHAU-UHFFFAOYSA-N 0 3 298.347 -1.045 20 0 CAADHN CCN(CCO)CCNC(=O)NCc1nc(N)n[nH]1 ZINC001414713139 890074867 /nfs/dbraw/zinc/07/48/67/890074867.db2.gz JYWHXHHXMKCALG-UHFFFAOYSA-N 0 3 271.325 -1.500 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001414791023 890075983 /nfs/dbraw/zinc/07/59/83/890075983.db2.gz LOICLNOZHGHOSY-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001416058788 890111785 /nfs/dbraw/zinc/11/17/85/890111785.db2.gz XOLSNFNCHZFPHH-MNOVXSKESA-N 0 3 296.371 -1.223 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNC(=O)COC)N(C)C ZINC001416709644 890118938 /nfs/dbraw/zinc/11/89/38/890118938.db2.gz NCGXQZNXXNRUIC-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNC(=O)COC)N(C)C ZINC001416709637 890119342 /nfs/dbraw/zinc/11/93/42/890119342.db2.gz NCGXQZNXXNRUIC-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN COCC(=O)NC[C@H](O)CNC(=O)CN(C)C(C)C ZINC001416709181 890119660 /nfs/dbraw/zinc/11/96/60/890119660.db2.gz MLQORLQMWHLIIL-SNVBAGLBSA-N 0 3 275.349 -1.434 20 0 CAADHN CCOCC(=O)NC[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001416723875 890121859 /nfs/dbraw/zinc/12/18/59/890121859.db2.gz NQLJLTWUCSHKJY-SNVBAGLBSA-N 0 3 298.343 -1.110 20 0 CAADHN CCN(CC)CC(=O)N(C)C1CN(C(=O)CNC(N)=O)C1 ZINC001417252179 890140612 /nfs/dbraw/zinc/14/06/12/890140612.db2.gz JECNDZRLWSFUKB-UHFFFAOYSA-N 0 3 299.375 -1.334 20 0 CAADHN NC(=O)CN1CCC[C@@H](NC(=O)c2ns[nH]c2=O)C1 ZINC001417637735 890150490 /nfs/dbraw/zinc/15/04/90/890150490.db2.gz JKTWUIJIJNMLDF-ZCFIWIBFSA-N 0 3 285.329 -1.077 20 0 CAADHN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCc1nnc[nH]1 ZINC001417642443 890150084 /nfs/dbraw/zinc/15/00/84/890150084.db2.gz ILDDXKHISKVJSN-GMSGAONNSA-N 0 3 281.316 -1.261 20 0 CAADHN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCc1nc[nH]n1 ZINC001417642443 890150099 /nfs/dbraw/zinc/15/00/99/890150099.db2.gz ILDDXKHISKVJSN-GMSGAONNSA-N 0 3 281.316 -1.261 20 0 CAADHN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)Cn1cnc(N)n1 ZINC001417649054 890150193 /nfs/dbraw/zinc/15/01/93/890150193.db2.gz SVFOMXBHBCQJJF-SFYZADRCSA-N 0 3 287.345 -1.106 20 0 CAADHN Cn1cnnc1COCC(=O)N1CCS(=O)CC1 ZINC001417637059 890150244 /nfs/dbraw/zinc/15/02/44/890150244.db2.gz HBLJYUSBNIOOJM-UHFFFAOYSA-N 0 3 272.330 -1.077 20 0 CAADHN NS(=O)(=O)C1(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001417645548 890150330 /nfs/dbraw/zinc/15/03/30/890150330.db2.gz VBGACYIREYGJTH-ZETCQYMHSA-N 0 3 296.370 -1.499 20 0 CAADHN COCCN(CCN(C)C)C(=O)Cn1nnc(N)n1 ZINC001417639880 890150341 /nfs/dbraw/zinc/15/03/41/890150341.db2.gz SACMCOQEKGCLNF-UHFFFAOYSA-N 0 3 271.325 -1.708 20 0 CAADHN CN1CCN(C)[C@@H](CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001417641715 890150404 /nfs/dbraw/zinc/15/04/04/890150404.db2.gz IACIYHXJCXPCRA-JTQLQIEISA-N 0 3 295.343 -1.689 20 0 CAADHN C[C@@H](CS(C)(=O)=O)N(C)C(=O)CCNC(=O)CO ZINC001417640200 890150547 /nfs/dbraw/zinc/15/05/47/890150547.db2.gz BTPUMOAISHQPPQ-QMMMGPOBSA-N 0 3 280.346 -1.624 20 0 CAADHN NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001417638444 890150562 /nfs/dbraw/zinc/15/05/62/890150562.db2.gz HCMKCOYIODDCEL-HTQZYQBOSA-N 0 3 279.300 -1.120 20 0 CAADHN CN1CCN(C)[C@H](CNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001417641694 890150637 /nfs/dbraw/zinc/15/06/37/890150637.db2.gz HJDFZXIMWALKGZ-SECBINFHSA-N 0 3 295.347 -2.261 20 0 CAADHN C[C@@H]1OC(=O)N[C@@H]1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001417637840 890150658 /nfs/dbraw/zinc/15/06/58/890150658.db2.gz MUADXVUOEYZTCT-BQBZGAKWSA-N 0 3 293.345 -1.073 20 0 CAADHN COC1(C(=O)NCCc2ncc[nH]2)CS(=O)(=O)C1 ZINC001417644798 890150713 /nfs/dbraw/zinc/15/07/13/890150713.db2.gz VYASSOPIAPHGHS-UHFFFAOYSA-N 0 3 273.314 -1.118 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001417637926 890150745 /nfs/dbraw/zinc/15/07/45/890150745.db2.gz QEQZBKYCGBLAJG-HTQZYQBOSA-N 0 3 295.303 -2.475 20 0 CAADHN C[C@@H](O)C[C@H](C)CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001417649780 890150796 /nfs/dbraw/zinc/15/07/96/890150796.db2.gz PYOQXGVLVXILPE-AEJSXWLSSA-N 0 3 298.347 -1.299 20 0 CAADHN CC[C@H]1COCCN1C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001417645481 890150825 /nfs/dbraw/zinc/15/08/25/890150825.db2.gz SUYALHISJBAOIU-UWVGGRQHSA-N 0 3 296.331 -1.185 20 0 CAADHN CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1nn[nH]n1 ZINC001417649998 890150862 /nfs/dbraw/zinc/15/08/62/890150862.db2.gz CWMIAOAZCMCNGV-UHFFFAOYSA-N 0 3 271.262 -1.327 20 0 CAADHN Cn1cnnc1CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001417639591 890150919 /nfs/dbraw/zinc/15/09/19/890150919.db2.gz HBRLSBACBCUKAX-UHFFFAOYSA-N 0 3 278.272 -1.564 20 0 CAADHN CNC(=O)CCNC(=O)C1(CS(C)(=O)=O)COC1 ZINC001417646707 890150954 /nfs/dbraw/zinc/15/09/54/890150954.db2.gz OPLKEFHGRADLCK-UHFFFAOYSA-N 0 3 278.330 -1.700 20 0 CAADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCc1nnc[nH]1 ZINC001417642444 890150965 /nfs/dbraw/zinc/15/09/65/890150965.db2.gz ILDDXKHISKVJSN-OIBJUYFYSA-N 0 3 281.316 -1.261 20 0 CAADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCc1nc[nH]n1 ZINC001417642444 890150968 /nfs/dbraw/zinc/15/09/68/890150968.db2.gz ILDDXKHISKVJSN-OIBJUYFYSA-N 0 3 281.316 -1.261 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001417640493 890150973 /nfs/dbraw/zinc/15/09/73/890150973.db2.gz HGEZTMNMVJJYET-RNJXMRFFSA-N 0 3 275.330 -1.742 20 0 CAADHN CN1C[C@H](NC(=O)C2=NN(CCO)C(=O)CC2)CC1=O ZINC001417637680 890151087 /nfs/dbraw/zinc/15/10/87/890151087.db2.gz HEASITHTMUGATP-MRVPVSSYSA-N 0 3 282.300 -1.696 20 0 CAADHN CCn1cnnc1CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001417639630 890151118 /nfs/dbraw/zinc/15/11/18/890151118.db2.gz IZIFLNJDCVBOOP-UHFFFAOYSA-N 0 3 292.303 -1.653 20 0 CAADHN CN(CCNS(C)(=O)=O)C(=O)c1ns[nH]c1=O ZINC001417640131 890151135 /nfs/dbraw/zinc/15/11/35/890151135.db2.gz AZONZCNSKDMALE-UHFFFAOYSA-N 0 3 280.331 -1.547 20 0 CAADHN CC(C)(C)[S@](=O)CCNC(=O)[C@@H](CO)NC(N)=O ZINC001417643946 890151164 /nfs/dbraw/zinc/15/11/64/890151164.db2.gz MFLLKDOLJDGSIN-LWESTGQBSA-N 0 3 279.362 -1.321 20 0 CAADHN C[C@H]1CC(=O)NCCN1C(=O)CCCS(N)(=O)=O ZINC001417643271 890151342 /nfs/dbraw/zinc/15/13/42/890151342.db2.gz WDTWCCSMFCSMQN-QMMMGPOBSA-N 0 3 277.346 -1.208 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H](CO)CN(C)C ZINC001417771963 890171173 /nfs/dbraw/zinc/17/11/73/890171173.db2.gz DHFCFNWLQIQAQM-BDAKNGLRSA-N 0 3 299.335 -2.784 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](N(CCO)CCO)C1 ZINC001417840731 890173131 /nfs/dbraw/zinc/17/31/31/890173131.db2.gz JEPZRPPVQMRIRI-TUAOUCFPSA-N 0 3 299.371 -1.615 20 0 CAADHN C[C@@H]1[C@H](C(=O)NC[C@]2(O)CCS(=O)(=O)C2)CCN1C ZINC001417868371 890173977 /nfs/dbraw/zinc/17/39/77/890173977.db2.gz GKEINFNPQHQKNP-CKYFFXLPSA-N 0 3 290.385 -1.008 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001417909089 890176990 /nfs/dbraw/zinc/17/69/90/890176990.db2.gz SWHDWZPXETZBSV-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN CCN1CCN(CCC(=O)N2C[C@@H](O)[C@H](CO)C2)CC1 ZINC001417929875 890179729 /nfs/dbraw/zinc/17/97/29/890179729.db2.gz FIYGDRORVQLWFJ-QWHCGFSZSA-N 0 3 285.388 -1.174 20 0 CAADHN O=C(CCN1CCOCC1)N[C@H]1CCN(CCO)C1 ZINC001417944470 890181629 /nfs/dbraw/zinc/18/16/29/890181629.db2.gz REAAGRAYCIXKJT-LBPRGKRZSA-N 0 3 271.361 -1.109 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001417946976 890181892 /nfs/dbraw/zinc/18/18/92/890181892.db2.gz BRGQWEUUTQMAJH-AXFHLTTASA-N 0 3 285.344 -1.537 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001417970517 890182124 /nfs/dbraw/zinc/18/21/24/890182124.db2.gz FNBZVMKNHJCRGQ-WDEREUQCSA-N 0 3 284.360 -1.713 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CCN(CCOC)C1 ZINC001417939468 890182778 /nfs/dbraw/zinc/18/27/78/890182778.db2.gz GIVYGPXOFKRPQW-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CC(=O)NC[C@H](NCC(=O)N1CCNC(=O)C1)C1CC1 ZINC001417961691 890182969 /nfs/dbraw/zinc/18/29/69/890182969.db2.gz ZUIMDIMWYISSIH-NSHDSACASA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H]1CCN(C[C@@H](C)O)C1 ZINC001417938868 890183329 /nfs/dbraw/zinc/18/33/29/890183329.db2.gz JBEDNQGJUUIXGP-ZJUUUORDSA-N 0 3 272.349 -1.123 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)CCNC(N)=O)C2)n[nH]1 ZINC001418045280 890184291 /nfs/dbraw/zinc/18/42/91/890184291.db2.gz VSYAZJKZXLDFPO-VIFPVBQESA-N 0 3 295.347 -1.138 20 0 CAADHN Cn1c(C(=O)NC[C@@H](NCC(N)=O)C2CC2)c[nH]c1=O ZINC001417993408 890184501 /nfs/dbraw/zinc/18/45/01/890184501.db2.gz XPTIUMHCDHJGNQ-MRVPVSSYSA-N 0 3 281.316 -1.291 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001418037831 890184698 /nfs/dbraw/zinc/18/46/98/890184698.db2.gz PCAASZYYTQZYDI-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)CNC(=O)OC)C1)C(N)=O ZINC001418036632 890184807 /nfs/dbraw/zinc/18/48/07/890184807.db2.gz FLCDZMNJBYADJX-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001418040593 890184821 /nfs/dbraw/zinc/18/48/21/890184821.db2.gz JXZDBIKFMVBJRV-JTQLQIEISA-N 0 3 298.343 -2.218 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001418034942 890184894 /nfs/dbraw/zinc/18/48/94/890184894.db2.gz PTIVYOBZOFJJHU-VIFPVBQESA-N 0 3 299.331 -2.231 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001418043001 890185060 /nfs/dbraw/zinc/18/50/60/890185060.db2.gz UWPQEOREQKSVOH-AXFHLTTASA-N 0 3 294.355 -1.423 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001418036737 890185200 /nfs/dbraw/zinc/18/52/00/890185200.db2.gz WGKFVTYQYBEDHV-QWRGUYRKSA-N 0 3 282.344 -1.456 20 0 CAADHN CCNC(=O)C[NH2+][C@H](CNC(=O)Cc1nnc[n-]1)C1CC1 ZINC001418003885 890185241 /nfs/dbraw/zinc/18/52/41/890185241.db2.gz NJESCTVCIPEQSG-SNVBAGLBSA-N 0 3 294.359 -1.032 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001418037517 890185516 /nfs/dbraw/zinc/18/55/16/890185516.db2.gz HKCZPQIVPAOKIY-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001418038502 890185718 /nfs/dbraw/zinc/18/57/18/890185718.db2.gz GCWDBLAEJSUORV-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001418042118 890185742 /nfs/dbraw/zinc/18/57/42/890185742.db2.gz GGQGJXIEWBPDER-JTQLQIEISA-N 0 3 297.359 -1.662 20 0 CAADHN C[C@H](N[C@H](CNC(=O)c1nnn(C)n1)C1CC1)C(N)=O ZINC001417992499 890185755 /nfs/dbraw/zinc/18/57/55/890185755.db2.gz VGMAVVGIWQPRPO-POYBYMJQSA-N 0 3 281.320 -1.818 20 0 CAADHN COCC1(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)CC1 ZINC001418041675 890185824 /nfs/dbraw/zinc/18/58/24/890185824.db2.gz NAUAFQIZPDVXFZ-VIFPVBQESA-N 0 3 298.343 -1.202 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1cnnn1C)C1CC1 ZINC001417982400 890185834 /nfs/dbraw/zinc/18/58/34/890185834.db2.gz YDMWFZYWFYDXGY-SECBINFHSA-N 0 3 280.332 -1.341 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001418039352 890186046 /nfs/dbraw/zinc/18/60/46/890186046.db2.gz SWIRSXBWOSUBNW-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)c1nnn(C)n1)C1CC1)C(N)=O ZINC001417992496 890186297 /nfs/dbraw/zinc/18/62/97/890186297.db2.gz VGMAVVGIWQPRPO-HTRCEHHLSA-N 0 3 281.320 -1.818 20 0 CAADHN C[C@@H](N[C@@H]1C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1)C(N)=O ZINC001418098919 890190682 /nfs/dbraw/zinc/19/06/82/890190682.db2.gz VWVZTYDPXKGZCP-XAVMHZPKSA-N 0 3 291.373 -1.470 20 0 CAADHN CCO[C@@H](C)C(=O)NC[C@@H](C)NCC(=O)NC(=O)NC ZINC001418191750 890192555 /nfs/dbraw/zinc/19/25/55/890192555.db2.gz BCJABHZUTFZFQC-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001418166054 890192723 /nfs/dbraw/zinc/19/27/23/890192723.db2.gz RTADYYCBGSEPBE-VIFPVBQESA-N 0 3 281.320 -1.871 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001418166245 890193647 /nfs/dbraw/zinc/19/36/47/890193647.db2.gz WMPNAXRKMJSINX-IUCAKERBSA-N 0 3 285.348 -1.501 20 0 CAADHN CCN(CC)C(=O)CN[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001418190720 890193463 /nfs/dbraw/zinc/19/34/63/890193463.db2.gz BBCBABZPEONNIO-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)NCC1CC1 ZINC001418216524 890195579 /nfs/dbraw/zinc/19/55/79/890195579.db2.gz CHRGYQDDGKCMCJ-WPRPVWTQSA-N 0 3 298.343 -1.285 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)COCC ZINC001418208657 890196103 /nfs/dbraw/zinc/19/61/03/890196103.db2.gz MYBSKLJEZDGDIY-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@H](C(=O)NC[C@H](C)NCC(=O)NC(N)=O)n1cccn1 ZINC001418194306 890196143 /nfs/dbraw/zinc/19/61/43/890196143.db2.gz KMNBXFLHBTYZCK-DTWKUNHWSA-N 0 3 296.331 -1.267 20 0 CAADHN Cc1cc(CC(=O)NC[C@H](C)NCC(=O)NC(N)=O)no1 ZINC001418215439 890196270 /nfs/dbraw/zinc/19/62/70/890196270.db2.gz QWRJOMFNCNGRRT-ZETCQYMHSA-N 0 3 297.315 -1.185 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)COCC ZINC001418208654 890196398 /nfs/dbraw/zinc/19/63/98/890196398.db2.gz MYBSKLJEZDGDIY-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cn[nH]c1 ZINC001418204293 890196623 /nfs/dbraw/zinc/19/66/23/890196623.db2.gz FBMSAROELYKPEE-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN Cc1c(C(=O)NC[C@H](C)NCC(=O)N(C)C)nnn1C ZINC001418209061 890196821 /nfs/dbraw/zinc/19/68/21/890196821.db2.gz LSHICACYWQWFQN-QMMMGPOBSA-N 0 3 282.348 -1.080 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)NCC(=O)N1CCC1 ZINC001418206258 890197188 /nfs/dbraw/zinc/19/71/88/890197188.db2.gz FSTLNZCPRRXGSQ-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)N[C@@H]1CCN(C)C1=O ZINC001418196876 890197495 /nfs/dbraw/zinc/19/74/95/890197495.db2.gz SKTAGVICHDNIGG-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001418202557 890197583 /nfs/dbraw/zinc/19/75/83/890197583.db2.gz OIHITPZXXKRSBE-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)cn1)NCC(=O)NC(N)=O ZINC001418204994 890197592 /nfs/dbraw/zinc/19/75/92/890197592.db2.gz OAIDRWDIKLUTMQ-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)NCC1CC1 ZINC001418216520 890197609 /nfs/dbraw/zinc/19/76/09/890197609.db2.gz CHRGYQDDGKCMCJ-SCZZXKLOSA-N 0 3 298.343 -1.285 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001418225001 890198914 /nfs/dbraw/zinc/19/89/14/890198914.db2.gz VRBGAYNJOMLXKF-IONNQARKSA-N 0 3 291.373 -1.611 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cccn2nnnc12 ZINC001418224901 890198983 /nfs/dbraw/zinc/19/89/83/890198983.db2.gz VCJTYKZXKBFLTP-QMMMGPOBSA-N 0 3 291.315 -1.422 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@H](C)NCC(N)=O)cn1C ZINC001418235862 890199087 /nfs/dbraw/zinc/19/90/87/890199087.db2.gz FDKHUBIVHLBHHS-QMMMGPOBSA-N 0 3 280.328 -1.113 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001418224988 890199131 /nfs/dbraw/zinc/19/91/31/890199131.db2.gz VRBGAYNJOMLXKF-APPZFPTMSA-N 0 3 291.373 -1.611 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@H](C)NCC(=O)NC ZINC001418223471 890199183 /nfs/dbraw/zinc/19/91/83/890199183.db2.gz QVOREMAPGLABKK-IUCAKERBSA-N 0 3 272.349 -1.259 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)Cn1ncnn1 ZINC001418227338 890199953 /nfs/dbraw/zinc/19/99/53/890199953.db2.gz OFETUKJTMUMROA-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)C1CN(C(C)=O)C1)C(N)=O ZINC001418220649 890199969 /nfs/dbraw/zinc/19/99/69/890199969.db2.gz ZKWTXVFHIIFQOZ-LDYMZIIASA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001418231530 890200397 /nfs/dbraw/zinc/20/03/97/890200397.db2.gz ZNSXGHPPXJXTQP-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN CCN(CC)C(=O)CN[C@H](C)CNC(=O)Cn1ncnn1 ZINC001418224748 890200484 /nfs/dbraw/zinc/20/04/84/890200484.db2.gz GSDNJNYOPFTWLP-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@H](CNC(=O)COCc1ccnn1C)NCC(N)=O ZINC001418237125 890200638 /nfs/dbraw/zinc/20/06/38/890200638.db2.gz PAOPXXXBCHCQPY-SECBINFHSA-N 0 3 283.332 -1.484 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001418225003 890200903 /nfs/dbraw/zinc/20/09/03/890200903.db2.gz VRBGAYNJOMLXKF-VXNVDRBHSA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@@H](CNC(=O)Cc1cnoc1)N[C@@H](C)C(=O)NC(N)=O ZINC001418273067 890201390 /nfs/dbraw/zinc/20/13/90/890201390.db2.gz SQYRFPMPCWJWDS-YUMQZZPRSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCNC1=O)N[C@H]1CCNC1=O ZINC001418242453 890201448 /nfs/dbraw/zinc/20/14/48/890201448.db2.gz IKEFLKJCJUZFOA-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@H](CNC(=O)CN1CCCNC1=O)N[C@H]1CCNC1=O ZINC001418242457 890201498 /nfs/dbraw/zinc/20/14/98/890201498.db2.gz IKEFLKJCJUZFOA-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCc2nncn2CC1)NCC(N)=O ZINC001418259580 890201976 /nfs/dbraw/zinc/20/19/76/890201976.db2.gz XRVYCBAVOSBVHN-ZJUUUORDSA-N 0 3 294.359 -1.190 20 0 CAADHN C[C@H](CNC(=O)CN1CCCNC1=O)N[C@@H]1CCNC1=O ZINC001418242451 890202007 /nfs/dbraw/zinc/20/20/07/890202007.db2.gz IKEFLKJCJUZFOA-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCc1cncn1C ZINC001418263549 890202911 /nfs/dbraw/zinc/20/29/11/890202911.db2.gz HUWINYLFJCWAMW-WPRPVWTQSA-N 0 3 280.332 -1.304 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)NCc1cnn(C)c1 ZINC001418267795 890202943 /nfs/dbraw/zinc/20/29/43/890202943.db2.gz OHQNDRALBGOSPQ-QMMMGPOBSA-N 0 3 278.320 -1.148 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(=O)NC1CC1 ZINC001418263675 890203288 /nfs/dbraw/zinc/20/32/88/890203288.db2.gz CVUWJEVTVJFJSX-MWLCHTKSSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001418241947 890203425 /nfs/dbraw/zinc/20/34/25/890203425.db2.gz FPTRUJGETSQNPX-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCc2nncn2CC1)NCC(N)=O ZINC001418259578 890203764 /nfs/dbraw/zinc/20/37/64/890203764.db2.gz XRVYCBAVOSBVHN-VHSXEESVSA-N 0 3 294.359 -1.190 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(=O)NC1CC1 ZINC001418263671 890204409 /nfs/dbraw/zinc/20/44/09/890204409.db2.gz CVUWJEVTVJFJSX-GXSJLCMTSA-N 0 3 296.371 -1.020 20 0 CAADHN Cc1nnccc1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001418248908 890204511 /nfs/dbraw/zinc/20/45/11/890204511.db2.gz OCDZLBQSXRIYCJ-SSDOTTSWSA-N 0 3 294.315 -1.312 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001418244028 890204615 /nfs/dbraw/zinc/20/46/15/890204615.db2.gz RASOVTROVOGCPN-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)n1C ZINC001418268487 890204712 /nfs/dbraw/zinc/20/47/12/890204712.db2.gz HPYUOBYEQGVMQI-ZETCQYMHSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)NCCF ZINC001418263116 890204786 /nfs/dbraw/zinc/20/47/86/890204786.db2.gz MWSCKZGYVFMPRM-SFYZADRCSA-N 0 3 295.336 -2.037 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001418244025 890204944 /nfs/dbraw/zinc/20/49/44/890204944.db2.gz RASOVTROVOGCPN-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)NCC(=O)N(C)C ZINC001418245901 890205100 /nfs/dbraw/zinc/20/51/00/890205100.db2.gz DPUJZPGPTVSDNW-VIFPVBQESA-N 0 3 298.347 -2.236 20 0 CAADHN C[C@H](CNC(=O)CN1CCCCC1=O)NCC(N)=O ZINC001418242745 890205519 /nfs/dbraw/zinc/20/55/19/890205519.db2.gz JYTUXAXMQZUZNJ-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N[C@H]1CCCNC1=O ZINC001418273498 890205688 /nfs/dbraw/zinc/20/56/88/890205688.db2.gz YOBGHKUDGWQCEA-YUMQZZPRSA-N 0 3 281.320 -1.803 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001418248027 890205816 /nfs/dbraw/zinc/20/58/16/890205816.db2.gz RCZNATOBKILQKO-RKDXNWHRSA-N 0 3 295.343 -1.248 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001418325631 890206233 /nfs/dbraw/zinc/20/62/33/890206233.db2.gz FPPOMPPKMLYVGX-QMMMGPOBSA-N 0 3 295.299 -1.066 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001418291791 890206902 /nfs/dbraw/zinc/20/69/02/890206902.db2.gz NXKHVRZVYDBNKH-WCBMZHEXSA-N 0 3 284.360 -1.116 20 0 CAADHN Cc1nonc1CC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001418307341 890207029 /nfs/dbraw/zinc/20/70/29/890207029.db2.gz VPMMZFTWJIJGHQ-APPZFPTMSA-N 0 3 281.316 -1.097 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)NCC(N)=O ZINC001418315413 890207057 /nfs/dbraw/zinc/20/70/57/890207057.db2.gz QQBFFVUBFZKQLU-IUCAKERBSA-N 0 3 296.327 -1.023 20 0 CAADHN Cc1nonc1CC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001418307348 890207116 /nfs/dbraw/zinc/20/71/16/890207116.db2.gz VPMMZFTWJIJGHQ-IONNQARKSA-N 0 3 281.316 -1.097 20 0 CAADHN C[C@@H](CNC(=O)c1ccn(C)n1)N[C@@H](C)C(=O)NC(N)=O ZINC001418313254 890207855 /nfs/dbraw/zinc/20/78/55/890207855.db2.gz DWFVRBCMELNSBM-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@H](CNC(=O)CCn1cnnn1)NCC(=O)NC1CC1 ZINC001418288032 890208735 /nfs/dbraw/zinc/20/87/35/890208735.db2.gz FDBDAADSCNJTPX-SECBINFHSA-N 0 3 295.347 -1.564 20 0 CAADHN C[C@@H](CNC(=O)CCCC(N)=O)N[C@@H]1CCN(C)C1=O ZINC001418322277 890208859 /nfs/dbraw/zinc/20/88/59/890208859.db2.gz OFGSWVMWSXMEJD-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001418323317 890209019 /nfs/dbraw/zinc/20/90/19/890209019.db2.gz NDBKVDYDDOEJOW-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CNC(=O)c1ccn(C)n1)N[C@H](C)C(=O)NC(N)=O ZINC001418313248 890209334 /nfs/dbraw/zinc/20/93/34/890209334.db2.gz DWFVRBCMELNSBM-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC001418323416 890209663 /nfs/dbraw/zinc/20/96/63/890209663.db2.gz OQJBPWJPPMGNSN-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CCCN1C[C@@H](C(=O)NC[C@H](C)NCC(N)=O)CC1=O ZINC001418285242 890209685 /nfs/dbraw/zinc/20/96/85/890209685.db2.gz SPJDXLTXOYQJMN-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)NCC(N)=O ZINC001418315412 890209852 /nfs/dbraw/zinc/20/98/52/890209852.db2.gz QQBFFVUBFZKQLU-BDAKNGLRSA-N 0 3 296.327 -1.023 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CS(=O)(=O)CC ZINC001418310617 890209919 /nfs/dbraw/zinc/20/99/19/890209919.db2.gz BFMJTFMQFRDABC-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@H](CNC(=O)CCn1cnnn1)N[C@@H]1CCN(C)C1=O ZINC001418292511 890209952 /nfs/dbraw/zinc/20/99/52/890209952.db2.gz VVUUIVSAIXRTJY-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001418278110 890209996 /nfs/dbraw/zinc/20/99/96/890209996.db2.gz NNQFGQDHORQZGQ-DJLDLDEBSA-N 0 3 272.305 -2.707 20 0 CAADHN Cc1conc1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001418299688 890210485 /nfs/dbraw/zinc/21/04/85/890210485.db2.gz CJPOKIVBPVRMGU-ZETCQYMHSA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@H](CNC(=O)CCCC(N)=O)N[C@H]1CCNC1=O ZINC001418319928 890210519 /nfs/dbraw/zinc/21/05/19/890210519.db2.gz GJAFHBQYZKUCTF-BDAKNGLRSA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@H](CNC(=O)c1ccn(C)n1)N[C@@H](C)C(=O)NC(N)=O ZINC001418313252 890210667 /nfs/dbraw/zinc/21/06/67/890210667.db2.gz DWFVRBCMELNSBM-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN Cc1nonc1CC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001418307355 890210772 /nfs/dbraw/zinc/21/07/72/890210772.db2.gz VPMMZFTWJIJGHQ-VXNVDRBHSA-N 0 3 281.316 -1.097 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)NCC(=O)N1CCCC1 ZINC001418308336 890210824 /nfs/dbraw/zinc/21/08/24/890210824.db2.gz OCFDNFKATHYWDY-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001418348191 890211831 /nfs/dbraw/zinc/21/18/31/890211831.db2.gz ZINOVHMDBPHILD-SECBINFHSA-N 0 3 293.327 -1.020 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001418327278 890213815 /nfs/dbraw/zinc/21/38/15/890213815.db2.gz LZRANEOCCINWEK-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1cnnn1C ZINC001418455824 890220409 /nfs/dbraw/zinc/22/04/09/890220409.db2.gz PUAHNIGVQKFTFF-VIFPVBQESA-N 0 3 271.321 -1.516 20 0 CAADHN CN(CCO)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001418476061 890225902 /nfs/dbraw/zinc/22/59/02/890225902.db2.gz NGFWZQVODWNZLW-UHFFFAOYSA-N 0 3 270.289 -2.011 20 0 CAADHN CC(C)[C@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)N(C)C ZINC001418597305 890242943 /nfs/dbraw/zinc/24/29/43/890242943.db2.gz ZCRZKDHQDJYJKA-KXUCPTDWSA-N 0 3 284.360 -1.382 20 0 CAADHN CC(C)[C@H](C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)N(C)C ZINC001418597312 890242750 /nfs/dbraw/zinc/24/27/50/890242750.db2.gz ZCRZKDHQDJYJKA-OPRDCNLKSA-N 0 3 284.360 -1.382 20 0 CAADHN CCCN1CC[C@H]1CN(C)C(=O)CNS(=O)(=O)NC ZINC001418581915 890244217 /nfs/dbraw/zinc/24/42/17/890244217.db2.gz GZGRVUTZCLQXOL-JTQLQIEISA-N 0 3 292.405 -1.017 20 0 CAADHN CCCN(C)CC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001418593944 890244976 /nfs/dbraw/zinc/24/49/76/890244976.db2.gz SYHZYHUPJJXEGO-DTORHVGOSA-N 0 3 270.333 -1.627 20 0 CAADHN CC(C)[C@H](C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)N(C)C ZINC001418597308 890245770 /nfs/dbraw/zinc/24/57/70/890245770.db2.gz ZCRZKDHQDJYJKA-LPEHRKFASA-N 0 3 284.360 -1.382 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@H]1CCCN1CCO ZINC001418622425 890248458 /nfs/dbraw/zinc/24/84/58/890248458.db2.gz VRJHISOVVIPAMN-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001418658034 890252787 /nfs/dbraw/zinc/25/27/87/890252787.db2.gz LAGMGJUJOPBRGD-DTORHVGOSA-N 0 3 280.332 -1.422 20 0 CAADHN O=C(Cc1nc[nH]n1)NC[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001418683137 890253504 /nfs/dbraw/zinc/25/35/04/890253504.db2.gz NYDHZKSWIFKRNY-ZJUUUORDSA-N 0 3 292.343 -1.326 20 0 CAADHN NC(=O)c1ncn(CC(=O)NCCN(CCO)C2CC2)n1 ZINC001418764212 890256726 /nfs/dbraw/zinc/25/67/26/890256726.db2.gz MDONPTMFEUUDLV-UHFFFAOYSA-N 0 3 296.331 -2.050 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001418806090 890260236 /nfs/dbraw/zinc/26/02/36/890260236.db2.gz GSEAIHBQTWVZLB-VIFPVBQESA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](C(=O)N(C)CCN[C@@H]1CCNC1=O)n1cncn1 ZINC001418807883 890260417 /nfs/dbraw/zinc/26/04/17/890260417.db2.gz PXHZCIMJUDUNJK-NXEZZACHSA-N 0 3 280.332 -1.224 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001418809003 890261496 /nfs/dbraw/zinc/26/14/96/890261496.db2.gz GXHMPLMIIHXORC-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[C@@H]1CCNC1=O ZINC001418804629 890261790 /nfs/dbraw/zinc/26/17/90/890261790.db2.gz BRDSFLXSHDUDCG-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](C(=O)N(C)CCN[C@@H]1CCNC1=O)n1cncn1 ZINC001418807888 890261947 /nfs/dbraw/zinc/26/19/47/890261947.db2.gz PXHZCIMJUDUNJK-VHSXEESVSA-N 0 3 280.332 -1.224 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)C1CN(C(C)=O)C1)C(N)=O ZINC001418805947 890262409 /nfs/dbraw/zinc/26/24/09/890262409.db2.gz MKUVRGHEYPOSTJ-LLVKDONJSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](C(=O)N(C)CCN[C@H]1CCNC1=O)n1cncn1 ZINC001418807884 890262572 /nfs/dbraw/zinc/26/25/72/890262572.db2.gz PXHZCIMJUDUNJK-UWVGGRQHSA-N 0 3 280.332 -1.224 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN1CCCNC1=O)C(N)=O ZINC001418807858 890263369 /nfs/dbraw/zinc/26/33/69/890263369.db2.gz CKWAFCNCHWVJGA-VIFPVBQESA-N 0 3 285.348 -1.677 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1cnnn1)C(=O)NC1CC1 ZINC001418814329 890264511 /nfs/dbraw/zinc/26/45/11/890264511.db2.gz QWJAYFKRWAIKQT-SECBINFHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001418826430 890264534 /nfs/dbraw/zinc/26/45/34/890264534.db2.gz HCEDWSQQEKUTQR-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001418828704 890264690 /nfs/dbraw/zinc/26/46/90/890264690.db2.gz NIIWPVQYTFFUBJ-VIFPVBQESA-N 0 3 293.327 -1.290 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001418826425 890264825 /nfs/dbraw/zinc/26/48/25/890264825.db2.gz HCEDWSQQEKUTQR-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001418832860 890265191 /nfs/dbraw/zinc/26/51/91/890265191.db2.gz QZCHJTPYHOHCLX-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN COC[C@H](OC)C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001418824566 890265292 /nfs/dbraw/zinc/26/52/92/890265292.db2.gz WUNLZQYDPFGZSS-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccc(C(N)=O)cn1)C(N)=O ZINC001418839606 890265505 /nfs/dbraw/zinc/26/55/05/890265505.db2.gz VDNUCUVBWYVHIJ-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001418810853 890265691 /nfs/dbraw/zinc/26/56/91/890265691.db2.gz LVHKLFIWQMKLSN-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H]1C ZINC001418820531 890265754 /nfs/dbraw/zinc/26/57/54/890265754.db2.gz NKQVLUFPDXCPLZ-RHYQMDGZSA-N 0 3 299.371 -1.149 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cc1cnc[nH]1)C(=O)NC(N)=O ZINC001418819152 890265805 /nfs/dbraw/zinc/26/58/05/890265805.db2.gz KVEQAOHNMLKIHZ-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001418834975 890265991 /nfs/dbraw/zinc/26/59/91/890265991.db2.gz SFNBMLBEZJUUIE-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001418835566 890267036 /nfs/dbraw/zinc/26/70/36/890267036.db2.gz XRQSNYOCHUCMOX-ZJUUUORDSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001418826458 890267068 /nfs/dbraw/zinc/26/70/68/890267068.db2.gz HCEDWSQQEKUTQR-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@@H](C)C(=O)N(C)C ZINC001418813960 890267477 /nfs/dbraw/zinc/26/74/77/890267477.db2.gz WTIYLLMJMPCZAJ-VIFPVBQESA-N 0 3 287.364 -1.560 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCC(=O)NC1)C(N)=O ZINC001418828077 890267615 /nfs/dbraw/zinc/26/76/15/890267615.db2.gz WQUZIQLBDAGCPZ-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN COC[C@H](OC)C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001418824562 890267759 /nfs/dbraw/zinc/26/77/59/890267759.db2.gz WUNLZQYDPFGZSS-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001418810841 890268099 /nfs/dbraw/zinc/26/80/99/890268099.db2.gz LVHKLFIWQMKLSN-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001418876603 890270664 /nfs/dbraw/zinc/27/06/64/890270664.db2.gz ITINQELQBFTHSX-SNVBAGLBSA-N 0 3 295.347 -1.753 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001418895371 890271459 /nfs/dbraw/zinc/27/14/59/890271459.db2.gz ADDOXYGYLMUXOY-BDAKNGLRSA-N 0 3 295.347 -1.474 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001418945339 890272292 /nfs/dbraw/zinc/27/22/92/890272292.db2.gz GALIXMBEBFUNPE-UHFFFAOYSA-N 0 3 295.347 -1.521 20 0 CAADHN C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001418932415 890272792 /nfs/dbraw/zinc/27/27/92/890272792.db2.gz GAEDGBUEZFPYLB-QWRGUYRKSA-N 0 3 294.359 -1.068 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001418932413 890272838 /nfs/dbraw/zinc/27/28/38/890272838.db2.gz GAEDGBUEZFPYLB-GHMZBOCLSA-N 0 3 294.359 -1.068 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@]2(CO)COCCN2)C1 ZINC001418953381 890276382 /nfs/dbraw/zinc/27/63/82/890276382.db2.gz QZOAGKCRWUZRQG-YPMHNXCESA-N 0 3 271.361 -1.205 20 0 CAADHN CC[C@@H](C(=O)NC1CN(Cc2nnnn2C)C1)N(C)C ZINC001419001055 890286060 /nfs/dbraw/zinc/28/60/60/890286060.db2.gz XYEMPZSQIINFBZ-JTQLQIEISA-N 0 3 281.364 -1.149 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)Cc2nnc(C)[nH]2)C1 ZINC001419019654 890289121 /nfs/dbraw/zinc/28/91/21/890289121.db2.gz GLTGEXZYBYSSKE-NSHDSACASA-N 0 3 297.359 -1.289 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001419021130 890290825 /nfs/dbraw/zinc/29/08/25/890290825.db2.gz UQXWLYHQMKGOEN-SECBINFHSA-N 0 3 293.389 -1.646 20 0 CAADHN COC[C@@H](C)N1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001419023918 890292014 /nfs/dbraw/zinc/29/20/14/890292014.db2.gz LFPLPLRSOKZPJA-SNVBAGLBSA-N 0 3 297.359 -1.335 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@H]1CCN(C[C@H](C)O)C1 ZINC001419060037 890296269 /nfs/dbraw/zinc/29/62/69/890296269.db2.gz MJTTVBHATCDIST-UWVGGRQHSA-N 0 3 293.389 -1.503 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)NCC1CN(CCCO)C1 ZINC001419038461 890296296 /nfs/dbraw/zinc/29/62/96/890296296.db2.gz GKLYAKNDMFHSSI-UHFFFAOYSA-N 0 3 298.343 -1.641 20 0 CAADHN O=C(CNC(=O)c1ccccn1)N[C@H]1CCN(CCO)C1 ZINC001419069732 890298008 /nfs/dbraw/zinc/29/80/08/890298008.db2.gz ZWDAKJSDWJVQNN-NSHDSACASA-N 0 3 292.339 -1.006 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001419080808 890299090 /nfs/dbraw/zinc/29/90/90/890299090.db2.gz NZPHITNNQIKVHN-DTWKUNHWSA-N 0 3 295.347 -1.332 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CCNC(N)=O ZINC001419074464 890299486 /nfs/dbraw/zinc/29/94/86/890299486.db2.gz BQBXQPDVVBGLOB-NXEZZACHSA-N 0 3 299.375 -1.111 20 0 CAADHN CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1CCN(CCO)C1 ZINC001419145148 890304079 /nfs/dbraw/zinc/30/40/79/890304079.db2.gz BIFXBLOTAAZWHO-UWVGGRQHSA-N 0 3 272.349 -1.042 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCN(CCCO)C1 ZINC001419113877 890306088 /nfs/dbraw/zinc/30/60/88/890306088.db2.gz MVFLMIKGEXSTNR-VHSXEESVSA-N 0 3 272.349 -1.042 20 0 CAADHN CC[C@H](CNC(=O)C1CN(C(C)=O)C1)N[C@@H]1CCNC1=O ZINC001419188328 890308946 /nfs/dbraw/zinc/30/89/46/890308946.db2.gz XLLXOPMRPIHEBZ-VXGBXAGGSA-N 0 3 296.371 -1.162 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)NCC(N)=O ZINC001419167036 890309673 /nfs/dbraw/zinc/30/96/73/890309673.db2.gz CEQRGRPDCUYXKE-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN O=C(CCc1cnn[nH]1)N[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001419174612 890310376 /nfs/dbraw/zinc/31/03/76/890310376.db2.gz VXTPIZKNVHSWFX-WDEREUQCSA-N 0 3 292.343 -1.184 20 0 CAADHN O=C(CCc1cnn[nH]1)N[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001419174558 890310621 /nfs/dbraw/zinc/31/06/21/890310621.db2.gz VXTPIZKNVHSWFX-GHMZBOCLSA-N 0 3 292.343 -1.184 20 0 CAADHN O=C(CCc1cnn[nH]1)N[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001419174592 890311031 /nfs/dbraw/zinc/31/10/31/890311031.db2.gz VXTPIZKNVHSWFX-QWRGUYRKSA-N 0 3 292.343 -1.184 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)NCC(N)=O ZINC001419167043 890311486 /nfs/dbraw/zinc/31/14/86/890311486.db2.gz CEQRGRPDCUYXKE-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN CCN(C(=O)Cn1ncn(C)c1=O)[C@@H]1CCN(CCO)C1 ZINC001419165204 890311521 /nfs/dbraw/zinc/31/15/21/890311521.db2.gz SVURDXNOFCHTOK-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](N[C@H]1CCN(C)C1=O)C1CC1 ZINC001419207639 890311759 /nfs/dbraw/zinc/31/17/59/890311759.db2.gz FFWWXNQNISXOPN-RYUDHWBXSA-N 0 3 296.371 -1.162 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001419176324 890311905 /nfs/dbraw/zinc/31/19/05/890311905.db2.gz IJJYYTNCOKNDFT-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@@H](CNC(=O)C1CN(C(C)=O)C1)N[C@@H]1CCNC1=O ZINC001419188317 890312965 /nfs/dbraw/zinc/31/29/65/890312965.db2.gz XLLXOPMRPIHEBZ-NWDGAFQWSA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)NC(=O)CN[C@@H](CNC(=O)[C@@H]1CCCO1)C1CC1 ZINC001419205052 890313022 /nfs/dbraw/zinc/31/30/22/890313022.db2.gz FHSYFMZDVJSXJR-UWVGGRQHSA-N 0 3 298.343 -1.155 20 0 CAADHN CC[C@@H](CNC(=O)CCn1cnccc1=O)NCC(N)=O ZINC001419275355 890313847 /nfs/dbraw/zinc/31/38/47/890313847.db2.gz YWSJIKJMOAUEHT-JTQLQIEISA-N 0 3 295.343 -1.397 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001419209973 890313986 /nfs/dbraw/zinc/31/39/86/890313986.db2.gz MCOBAASKPDYVHA-VHSXEESVSA-N 0 3 293.331 -1.954 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C[C@@H]1CCC(=O)NC1)C1CC1 ZINC001419258741 890314129 /nfs/dbraw/zinc/31/41/29/890314129.db2.gz IIMAIJQDDUBBIZ-ONGXEEELSA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001419239303 890314374 /nfs/dbraw/zinc/31/43/74/890314374.db2.gz LMFBRRUXKURLNN-UWVGGRQHSA-N 0 3 282.344 -1.518 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001419242253 890314479 /nfs/dbraw/zinc/31/44/79/890314479.db2.gz HRBXEDWFEGOONJ-VXGBXAGGSA-N 0 3 298.387 -1.453 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001419237073 890314516 /nfs/dbraw/zinc/31/45/16/890314516.db2.gz CADKWXDQUIFKSU-VIFPVBQESA-N 0 3 270.333 -1.518 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)CNC(=O)NC)C1CC1 ZINC001419245204 890314774 /nfs/dbraw/zinc/31/47/74/890314774.db2.gz BCKDYYCXUZNHKU-SNVBAGLBSA-N 0 3 299.375 -1.464 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001419239305 890315110 /nfs/dbraw/zinc/31/51/10/890315110.db2.gz LMFBRRUXKURLNN-VHSXEESVSA-N 0 3 282.344 -1.518 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001419242248 890315890 /nfs/dbraw/zinc/31/58/90/890315890.db2.gz HRBXEDWFEGOONJ-NEPJUHHUSA-N 0 3 298.387 -1.453 20 0 CAADHN C[C@H](N[C@H](CNC(=O)CNC(=O)C1CC1)C1CC1)C(N)=O ZINC001419236594 890316085 /nfs/dbraw/zinc/31/60/85/890316085.db2.gz OLLLIIBSPPJOIV-GZMMTYOYSA-N 0 3 296.371 -1.129 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C[C@@H]1CCC(=O)NC1)C1CC1 ZINC001419258727 890316157 /nfs/dbraw/zinc/31/61/57/890316157.db2.gz IIMAIJQDDUBBIZ-GXSJLCMTSA-N 0 3 296.371 -1.128 20 0 CAADHN CC[C@H](CNC(=O)CCn1cnccc1=O)NCC(N)=O ZINC001419275361 890316259 /nfs/dbraw/zinc/31/62/59/890316259.db2.gz YWSJIKJMOAUEHT-SNVBAGLBSA-N 0 3 295.343 -1.397 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)C1CC1 ZINC001419275659 890316520 /nfs/dbraw/zinc/31/65/20/890316520.db2.gz KVFLQRGXZFOWOH-QWRGUYRKSA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C[C@H]1CCC(=O)NC1)C1CC1 ZINC001419258739 890316716 /nfs/dbraw/zinc/31/67/16/890316716.db2.gz IIMAIJQDDUBBIZ-MWLCHTKSSA-N 0 3 296.371 -1.128 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001419251325 890316835 /nfs/dbraw/zinc/31/68/35/890316835.db2.gz POMPNNKTSJRHOC-SCZZXKLOSA-N 0 3 284.360 -1.129 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001419251322 890317367 /nfs/dbraw/zinc/31/73/67/890317367.db2.gz POMPNNKTSJRHOC-PSASIEDQSA-N 0 3 284.360 -1.129 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C[C@H]1CCC(=O)NC1)C1CC1 ZINC001419258734 890317708 /nfs/dbraw/zinc/31/77/08/890317708.db2.gz IIMAIJQDDUBBIZ-KOLCDFICSA-N 0 3 296.371 -1.128 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)NCC(=O)N1CCC1 ZINC001419222021 890317776 /nfs/dbraw/zinc/31/77/76/890317776.db2.gz KCINKJCRDKGIJL-SECBINFHSA-N 0 3 295.347 -1.460 20 0 CAADHN CNC(=O)[C@H](C)[NH2+][C@H](CNC(=O)Cc1nnc[n-]1)C1CC1 ZINC001419311601 890318306 /nfs/dbraw/zinc/31/83/06/890318306.db2.gz NHVYUPQRAWEHBM-WCBMZHEXSA-N 0 3 294.359 -1.034 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](N[C@H]2CCNC2=O)C2CC2)n1 ZINC001419299679 890318559 /nfs/dbraw/zinc/31/85/59/890318559.db2.gz YDYMOSWJVAPTNC-DTWKUNHWSA-N 0 3 293.331 -1.803 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001419294174 890318674 /nfs/dbraw/zinc/31/86/74/890318674.db2.gz WJRBAOXFMOHQQX-BDAKNGLRSA-N 0 3 283.332 -2.102 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001419366650 890318895 /nfs/dbraw/zinc/31/88/95/890318895.db2.gz XHGHFDNWARJWCK-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001419375712 890319190 /nfs/dbraw/zinc/31/91/90/890319190.db2.gz JSNDAWWDIJVJMI-HZMBPMFUSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CCN1CCCC1=O)C1CC1 ZINC001419320486 890319226 /nfs/dbraw/zinc/31/92/26/890319226.db2.gz HYOYJKJQQVUQPD-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)CNC(=O)NC)C1CC1 ZINC001419349113 890319265 /nfs/dbraw/zinc/31/92/65/890319265.db2.gz LXQCKJVLGWCFMU-ZDUSSCGKSA-N 0 3 299.375 -1.464 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001419361628 890319317 /nfs/dbraw/zinc/31/93/17/890319317.db2.gz KIPKTPBOTDNBNE-UWVGGRQHSA-N 0 3 271.317 -1.662 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001419294179 890320389 /nfs/dbraw/zinc/32/03/89/890320389.db2.gz WJRBAOXFMOHQQX-DTWKUNHWSA-N 0 3 283.332 -2.102 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001419357362 890320423 /nfs/dbraw/zinc/32/04/23/890320423.db2.gz FIQKZNRADRRWPX-IINYFYTJSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001419375732 890320567 /nfs/dbraw/zinc/32/05/67/890320567.db2.gz KDPNBCVWEHJSFA-QMMMGPOBSA-N 0 3 281.316 -1.324 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001419368116 890321607 /nfs/dbraw/zinc/32/16/07/890321607.db2.gz PHXNCYGRFBLYIW-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001419383992 890321341 /nfs/dbraw/zinc/32/13/41/890321341.db2.gz UMPZIBBMWVLDMR-QWRGUYRKSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001419383201 890321665 /nfs/dbraw/zinc/32/16/65/890321665.db2.gz WWYGXQTYNHUPAT-VIFPVBQESA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001419371346 890321734 /nfs/dbraw/zinc/32/17/34/890321734.db2.gz QONXDLFRIRJCLO-YUMQZZPRSA-N 0 3 297.315 -2.479 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CCN1CCCC1=O)C1CC1 ZINC001419320493 890321766 /nfs/dbraw/zinc/32/17/66/890321766.db2.gz HYOYJKJQQVUQPD-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN Cn1ncc(C(=O)NC2(CNCC(N)=O)CCCC2)n1 ZINC001419313932 890322061 /nfs/dbraw/zinc/32/20/61/890322061.db2.gz XWTKXZUZQHCAQK-UHFFFAOYSA-N 0 3 280.332 -1.067 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1)C(N)=O ZINC001419368701 890322424 /nfs/dbraw/zinc/32/24/24/890322424.db2.gz CQJHEOBUEAUYPL-CIUDSAMLSA-N 0 3 285.348 -1.502 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1nnc[n-]1)C1CC1 ZINC001419311599 890322503 /nfs/dbraw/zinc/32/25/03/890322503.db2.gz NHVYUPQRAWEHBM-SCZZXKLOSA-N 0 3 294.359 -1.034 20 0 CAADHN CC(C)(C(=O)N[C@H]1C[C@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001419425143 890323096 /nfs/dbraw/zinc/32/30/96/890323096.db2.gz FFLMEHAJCAQQQM-ZKCHVHJHSA-N 0 3 291.373 -1.468 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001419419645 890323642 /nfs/dbraw/zinc/32/36/42/890323642.db2.gz MBZNHFAMUJOSEB-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)C[C@H]1CCNC1=O ZINC001419602605 890335204 /nfs/dbraw/zinc/33/52/04/890335204.db2.gz VXYXDPCOEURKCC-GHMZBOCLSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)CNC(=O)C1CC1 ZINC001419598668 890337166 /nfs/dbraw/zinc/33/71/66/890337166.db2.gz BSGODVBYRKRFJR-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CCC(=O)N2)CCCC1 ZINC001419588712 890337275 /nfs/dbraw/zinc/33/72/75/890337275.db2.gz DIOKJPVUZHANRC-SECBINFHSA-N 0 3 282.344 -1.231 20 0 CAADHN CCCNC(=O)CNC[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001419644415 890338307 /nfs/dbraw/zinc/33/83/07/890338307.db2.gz HQXSTDBINCOBJP-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CN1CCOCC1 ZINC001419656685 890338341 /nfs/dbraw/zinc/33/83/41/890338341.db2.gz JJMZKLZXTLHCGX-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)c1ncn(C)n1 ZINC001419658464 890338568 /nfs/dbraw/zinc/33/85/68/890338568.db2.gz UBZVVYKHLIPTDC-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCNS(C)(=O)=O ZINC001419676244 890338595 /nfs/dbraw/zinc/33/85/95/890338595.db2.gz HLUGDYMZXPEFCU-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001419644418 890338625 /nfs/dbraw/zinc/33/86/25/890338625.db2.gz HQXSTDBINCOBJP-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)C[C@H]1CCNC1=O ZINC001419668569 890339216 /nfs/dbraw/zinc/33/92/16/890339216.db2.gz RREJBOWBYXBZRD-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001419648224 890339522 /nfs/dbraw/zinc/33/95/22/890339522.db2.gz XXTFTZQQDKKNJZ-JGVFFNPUSA-N 0 3 279.362 -1.659 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cnc2n1CCOC2 ZINC001419672148 890339684 /nfs/dbraw/zinc/33/96/84/890339684.db2.gz KWCRXARUVREHQE-VIFPVBQESA-N 0 3 295.343 -1.051 20 0 CAADHN COCC(=O)NC[C@@H](C)NCC(=O)NC(=O)NC1CC1 ZINC001419671180 890339967 /nfs/dbraw/zinc/33/99/67/890339967.db2.gz HGPSWGFZVXICMR-MRVPVSSYSA-N 0 3 286.332 -1.285 20 0 CAADHN COc1cc(C(=O)N(C)[C@H](C)CNCC(N)=O)nn1C ZINC001419684493 890340010 /nfs/dbraw/zinc/34/00/10/890340010.db2.gz JMQHUFIXMJOXGU-MRVPVSSYSA-N 0 3 283.332 -1.036 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CNC(=O)NC ZINC001419670028 890340562 /nfs/dbraw/zinc/34/05/62/890340562.db2.gz WXCOCPJFTCNCSI-QMMMGPOBSA-N 0 3 273.337 -1.902 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001419684594 890341022 /nfs/dbraw/zinc/34/10/22/890341022.db2.gz KRYQVVPACZQAKZ-MRVPVSSYSA-N 0 3 291.373 -1.657 20 0 CAADHN CN(CCO)CCNC(=O)C1=NN(CCO)C(=O)CC1 ZINC001419629175 890341266 /nfs/dbraw/zinc/34/12/66/890341266.db2.gz UGQGXZZVXBIQGK-UHFFFAOYSA-N 0 3 286.332 -2.003 20 0 CAADHN COCC(=O)NC[C@H](C)NCC(=O)NC(=O)NC1CC1 ZINC001419671181 890341596 /nfs/dbraw/zinc/34/15/96/890341596.db2.gz HGPSWGFZVXICMR-QMMMGPOBSA-N 0 3 286.332 -1.285 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001419623220 890341711 /nfs/dbraw/zinc/34/17/11/890341711.db2.gz WWOOIIPUPFDNJE-BBBLOLIVSA-N 0 3 282.344 -1.436 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1cnnn1C ZINC001419647040 890342250 /nfs/dbraw/zinc/34/22/50/890342250.db2.gz BNSYLXCJUBBPNK-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCCN(C)C1=O ZINC001419698594 890342614 /nfs/dbraw/zinc/34/26/14/890342614.db2.gz NTIDGEWUCYPGQA-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001419689097 890342671 /nfs/dbraw/zinc/34/26/71/890342671.db2.gz BXVDJDSRUOZDGU-IUCAKERBSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](CNC(=O)CCn1cncn1)N[C@H]1CCNC1=O ZINC001419693133 890342760 /nfs/dbraw/zinc/34/27/60/890342760.db2.gz FYKHBHLYSZBVNU-UWVGGRQHSA-N 0 3 280.332 -1.349 20 0 CAADHN Cc1cc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)on1 ZINC001419692821 890342821 /nfs/dbraw/zinc/34/28/21/890342821.db2.gz FDPTYUVEMXSHGR-ZETCQYMHSA-N 0 3 283.288 -1.114 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001419710483 890342947 /nfs/dbraw/zinc/34/29/47/890342947.db2.gz QWUZCMDEPILTOO-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001419694226 890343005 /nfs/dbraw/zinc/34/30/05/890343005.db2.gz ZNEWQDWHVGLOKA-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cnc(C)[nH]1 ZINC001419711566 890343571 /nfs/dbraw/zinc/34/35/71/890343571.db2.gz OVTJLMIWCAFKMS-SSDOTTSWSA-N 0 3 296.331 -1.118 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001419706914 890343967 /nfs/dbraw/zinc/34/39/67/890343967.db2.gz NAIIJWBFOUCJIL-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001419698173 890344546 /nfs/dbraw/zinc/34/45/46/890344546.db2.gz NGDHBIHGTICMNY-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001419706138 890344936 /nfs/dbraw/zinc/34/49/36/890344936.db2.gz STRWLFOZYRCSPH-VIFPVBQESA-N 0 3 295.343 -1.044 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001419703952 890345045 /nfs/dbraw/zinc/34/50/45/890345045.db2.gz GKUKGZMCNGAYAI-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001419698178 890345150 /nfs/dbraw/zinc/34/51/50/890345150.db2.gz NGDHBIHGTICMNY-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001419710481 890345677 /nfs/dbraw/zinc/34/56/77/890345677.db2.gz QWUZCMDEPILTOO-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001419703955 890345787 /nfs/dbraw/zinc/34/57/87/890345787.db2.gz GKUKGZMCNGAYAI-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cnc(C)[nH]1 ZINC001419711568 890346165 /nfs/dbraw/zinc/34/61/65/890346165.db2.gz OVTJLMIWCAFKMS-ZETCQYMHSA-N 0 3 296.331 -1.118 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001419718989 890347298 /nfs/dbraw/zinc/34/72/98/890347298.db2.gz WGZWFLNVPDCVDA-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CN1CCOCC1 ZINC001419724283 890347480 /nfs/dbraw/zinc/34/74/80/890347480.db2.gz DCTCCVYJCLIDMM-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1cnn(C)n1 ZINC001419746872 890347798 /nfs/dbraw/zinc/34/77/98/890347798.db2.gz LUSSSPTWKLYPMC-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNC(=O)c1cnnn1C)NCC(=O)NC1CC1 ZINC001419728308 890348031 /nfs/dbraw/zinc/34/80/31/890348031.db2.gz AVWNIYLLBYUVOD-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CCNC(N)=O)C(N)=O ZINC001419742441 890348090 /nfs/dbraw/zinc/34/80/90/890348090.db2.gz QMBHZRYDQXUJLU-JGVFFNPUSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001419735513 890348689 /nfs/dbraw/zinc/34/86/89/890348689.db2.gz MLKZKJIIOBAKDM-ZJUUUORDSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001419718393 890348816 /nfs/dbraw/zinc/34/88/16/890348816.db2.gz GIOQRDQNNOTBAS-NXEZZACHSA-N 0 3 284.360 -1.210 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)nn1 ZINC001419732527 890349262 /nfs/dbraw/zinc/34/92/62/890349262.db2.gz IVWLHLZSMYMFPR-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN Cc1nn(C)c(C)c1OCC(=O)NC[C@@H](C)NCC(N)=O ZINC001419746689 890349354 /nfs/dbraw/zinc/34/93/54/890349354.db2.gz LMSKZKQFKRTOFD-MRVPVSSYSA-N 0 3 297.359 -1.005 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001419718985 890349703 /nfs/dbraw/zinc/34/97/03/890349703.db2.gz WGZWFLNVPDCVDA-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)Cc1cc[nH]n1 ZINC001419720971 890351224 /nfs/dbraw/zinc/35/12/24/890351224.db2.gz TXOOSWCKIXMQDF-MRVPVSSYSA-N 0 3 296.331 -1.498 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001419802951 890352121 /nfs/dbraw/zinc/35/21/21/890352121.db2.gz DWOLMSBRARLMSD-AEJSXWLSSA-N 0 3 295.347 -1.613 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)NCc1cnn(C)c1 ZINC001419758507 890352212 /nfs/dbraw/zinc/35/22/12/890352212.db2.gz QWBRDLSBSLOFSI-VIFPVBQESA-N 0 3 282.348 -1.057 20 0 CAADHN CC(C)C[C@H](CN[C@H](C)C(N)=O)NC(=O)Cn1ncnn1 ZINC001419798374 890352280 /nfs/dbraw/zinc/35/22/80/890352280.db2.gz SOPAMGKNRBHBFF-NXEZZACHSA-N 0 3 297.363 -1.333 20 0 CAADHN CC(C)C[C@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1ncnn1 ZINC001419798382 890352431 /nfs/dbraw/zinc/35/24/31/890352431.db2.gz SOPAMGKNRBHBFF-VHSXEESVSA-N 0 3 297.363 -1.333 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)Cn1cnnn1 ZINC001419778179 890352668 /nfs/dbraw/zinc/35/26/68/890352668.db2.gz AOJUILRKOLFCMS-VIFPVBQESA-N 0 3 283.336 -1.721 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001419753286 890353519 /nfs/dbraw/zinc/35/35/19/890353519.db2.gz CFKZNXIKQDQXRM-BDAKNGLRSA-N 0 3 270.333 -1.695 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCCN(C)C1=O ZINC001419752824 890352723 /nfs/dbraw/zinc/35/27/23/890352723.db2.gz BHYXSFPQACVUIY-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CC(C)C[C@@H](CN[C@H](C)C(N)=O)NC(=O)Cn1ncnn1 ZINC001419798385 890352858 /nfs/dbraw/zinc/35/28/58/890352858.db2.gz SOPAMGKNRBHBFF-ZJUUUORDSA-N 0 3 297.363 -1.333 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001419804068 890353053 /nfs/dbraw/zinc/35/30/53/890353053.db2.gz IWJFLOMHDMGELA-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001419802974 890353305 /nfs/dbraw/zinc/35/33/05/890353305.db2.gz DWOLMSBRARLMSD-LPEHRKFASA-N 0 3 295.347 -1.613 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cncn1C ZINC001419781957 890353337 /nfs/dbraw/zinc/35/33/37/890353337.db2.gz PXZOUFFCMXXYDP-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N[C@H]1CCCNC1=O ZINC001419754722 890353428 /nfs/dbraw/zinc/35/34/28/890353428.db2.gz ZFCAEWVDQXXOOI-BDAKNGLRSA-N 0 3 281.320 -1.954 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001419748084 890354150 /nfs/dbraw/zinc/35/41/50/890354150.db2.gz NHMDEJFJNNZHCN-VIFPVBQESA-N 0 3 283.336 -1.708 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001419793392 890354317 /nfs/dbraw/zinc/35/43/17/890354317.db2.gz QZTSCVDTUJGGLF-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001419764345 890354379 /nfs/dbraw/zinc/35/43/79/890354379.db2.gz HBSSBSMMCMAKCH-HTQZYQBOSA-N 0 3 291.373 -1.740 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCCC(N)=O ZINC001419772607 890354443 /nfs/dbraw/zinc/35/44/43/890354443.db2.gz OASDCDFNUDAJIQ-BDAKNGLRSA-N 0 3 272.349 -1.048 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(=O)N1CCC1 ZINC001419811237 890354675 /nfs/dbraw/zinc/35/46/75/890354675.db2.gz ABHACSVTVCVRSZ-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](CNC(=O)c1cnc2nccn2c1)NCC(N)=O ZINC001419804578 890354714 /nfs/dbraw/zinc/35/47/14/890354714.db2.gz LMOBHTPQXCRKEA-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001419800496 890355025 /nfs/dbraw/zinc/35/50/25/890355025.db2.gz VTFSWOHOUWXZIH-BBBLOLIVSA-N 0 3 284.360 -1.286 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@H](C)NCC(=O)NC ZINC001419752765 890355064 /nfs/dbraw/zinc/35/50/64/890355064.db2.gz AFKLJOORDSTJSF-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001419804066 890355182 /nfs/dbraw/zinc/35/51/82/890355182.db2.gz IWJFLOMHDMGELA-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CNC(=O)CN1CCCS1(=O)=O)NCC(N)=O ZINC001419762390 890355247 /nfs/dbraw/zinc/35/52/47/890355247.db2.gz GRMCDAZTTKXGEJ-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CCCC(N)=O)C(N)=O ZINC001419772613 890355363 /nfs/dbraw/zinc/35/53/63/890355363.db2.gz OASDCDFNUDAJIQ-DTWKUNHWSA-N 0 3 272.349 -1.048 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H](C)NS(C)(=O)=O ZINC001419847327 890357214 /nfs/dbraw/zinc/35/72/14/890357214.db2.gz HLSUKDNWDRULEY-YUMQZZPRSA-N 0 3 294.377 -2.236 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1COCCO1)NCC(N)=O ZINC001419856501 890356759 /nfs/dbraw/zinc/35/67/59/890356759.db2.gz VPCLPBWOMRUFOA-NXEZZACHSA-N 0 3 273.333 -1.383 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001419847181 890357293 /nfs/dbraw/zinc/35/72/93/890357293.db2.gz HLSUKDNWDRULEY-HTQZYQBOSA-N 0 3 294.377 -2.236 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001419823607 890357532 /nfs/dbraw/zinc/35/75/32/890357532.db2.gz PBHYTUOMQBBTJN-YUMQZZPRSA-N 0 3 271.321 -2.102 20 0 CAADHN C[C@@H](CNC(=O)c1nccn2ccnc12)NCC(N)=O ZINC001419865727 890357812 /nfs/dbraw/zinc/35/78/12/890357812.db2.gz SXTLEAFFIUQHIB-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1COCCO1)C(C)C ZINC001419850978 890358348 /nfs/dbraw/zinc/35/83/48/890358348.db2.gz FVWDCGMSUVALFA-GHMZBOCLSA-N 0 3 287.360 -1.122 20 0 CAADHN C[C@@H](CNC(=O)c1ccn2nnnc2c1)NCC(N)=O ZINC001419831751 890359009 /nfs/dbraw/zinc/35/90/09/890359009.db2.gz HQBNNQXYGPFCJW-ZETCQYMHSA-N 0 3 277.288 -1.683 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NCC(=O)NC(N)=O ZINC001419832741 890359073 /nfs/dbraw/zinc/35/90/73/890359073.db2.gz FXFQHSKBDHEVII-QHOPCYEYSA-N 0 3 284.316 -1.832 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001419847317 890360072 /nfs/dbraw/zinc/36/00/72/890360072.db2.gz HLSUKDNWDRULEY-JGVFFNPUSA-N 0 3 294.377 -2.236 20 0 CAADHN C[C@H](CNC(=O)c1nccn2ccnc12)NCC(N)=O ZINC001419865722 890359358 /nfs/dbraw/zinc/35/93/58/890359358.db2.gz SXTLEAFFIUQHIB-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](CNC(=O)Cc1cscn1)NCC(=O)NC(N)=O ZINC001419864237 890359469 /nfs/dbraw/zinc/35/94/69/890359469.db2.gz HXTWNWIYDJNZIR-ZETCQYMHSA-N 0 3 299.356 -1.025 20 0 CAADHN C[C@@H]([NH2+][C@@H](C)CNC(=O)Cc1nnc[n-]1)C(=O)N(C)C ZINC001419908470 890361258 /nfs/dbraw/zinc/36/12/58/890361258.db2.gz XYYACADNTLLVBU-DTWKUNHWSA-N 0 3 282.348 -1.082 20 0 CAADHN C[C@@H](CNC(=O)CCN1CCOCC1)N[C@H]1CCNC1=O ZINC001419876000 890361301 /nfs/dbraw/zinc/36/13/01/890361301.db2.gz KVRJTDORAHLPFC-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)N[C@@H]1CCCN(C)C1=O ZINC001419927446 890361507 /nfs/dbraw/zinc/36/15/07/890361507.db2.gz ZKERXJDUQJACHN-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001419928723 890361791 /nfs/dbraw/zinc/36/17/91/890361791.db2.gz MJEGOVXYSYHVMG-NXEZZACHSA-N 0 3 294.359 -1.319 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001419894026 890362463 /nfs/dbraw/zinc/36/24/63/890362463.db2.gz KTROCKMGIDXCFP-DTWKUNHWSA-N 0 3 280.332 -1.328 20 0 CAADHN C[C@@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)NCC(N)=O ZINC001419869419 890362555 /nfs/dbraw/zinc/36/25/55/890362555.db2.gz LQIZZNVHHBDQBG-ZETCQYMHSA-N 0 3 292.299 -1.372 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[nH]1)NCc1cn(C)nn1 ZINC001419891972 890362875 /nfs/dbraw/zinc/36/28/75/890362875.db2.gz IERGZBURRFGBDF-MRVPVSSYSA-N 0 3 278.320 -1.230 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)N[C@H]1CCCN(C)C1=O ZINC001419927439 890363041 /nfs/dbraw/zinc/36/30/41/890363041.db2.gz ZKERXJDUQJACHN-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H]1CCN(C)C1=O ZINC001419894021 890363179 /nfs/dbraw/zinc/36/31/79/890363179.db2.gz KTROCKMGIDXCFP-BDAKNGLRSA-N 0 3 280.332 -1.328 20 0 CAADHN CC(C)[C@H](CNC(=O)CS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001419866806 890363327 /nfs/dbraw/zinc/36/33/27/890363327.db2.gz SXYHDOZUBAAEBV-IUCAKERBSA-N 0 3 293.389 -1.365 20 0 CAADHN CCN1CC[C@@H](N[C@@H](C)CNC(=O)Cn2cncn2)C1=O ZINC001419920730 890363640 /nfs/dbraw/zinc/36/36/40/890363640.db2.gz MPEODZIXLUTSEO-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cccn(C)c1=O ZINC001419887062 890363919 /nfs/dbraw/zinc/36/39/19/890363919.db2.gz CQFUIWSMWRIPSP-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCC(N)=O ZINC001419904454 890364084 /nfs/dbraw/zinc/36/40/84/890364084.db2.gz JNXFUCKLUSFNGM-ZANVPECISA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[nH]1)NCc1cn(C)nn1 ZINC001419891976 890364316 /nfs/dbraw/zinc/36/43/16/890364316.db2.gz IERGZBURRFGBDF-QMMMGPOBSA-N 0 3 278.320 -1.230 20 0 CAADHN C[C@@H](CNC(=O)CCN1CCOCC1)N[C@@H]1CCNC1=O ZINC001419875999 890364474 /nfs/dbraw/zinc/36/44/74/890364474.db2.gz KVRJTDORAHLPFC-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001419931207 890364723 /nfs/dbraw/zinc/36/47/23/890364723.db2.gz FOCGWJPQUVEKDK-SFYZADRCSA-N 0 3 292.361 -2.482 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001419928729 890364749 /nfs/dbraw/zinc/36/47/49/890364749.db2.gz MJEGOVXYSYHVMG-ZJUUUORDSA-N 0 3 294.359 -1.319 20 0 CAADHN CCn1ccc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)n1 ZINC001419867096 890364930 /nfs/dbraw/zinc/36/49/30/890364930.db2.gz LJJGMFXEXDABHD-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001419931202 890365398 /nfs/dbraw/zinc/36/53/98/890365398.db2.gz FOCGWJPQUVEKDK-JGVFFNPUSA-N 0 3 292.361 -2.482 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001419928728 890365454 /nfs/dbraw/zinc/36/54/54/890365454.db2.gz MJEGOVXYSYHVMG-VHSXEESVSA-N 0 3 294.359 -1.319 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001419954479 890366078 /nfs/dbraw/zinc/36/60/78/890366078.db2.gz APOOUOVGXZCGHE-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001419965318 890366167 /nfs/dbraw/zinc/36/61/67/890366167.db2.gz AKVSQDMCYFPVGY-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001419950716 890366195 /nfs/dbraw/zinc/36/61/95/890366195.db2.gz MZZSLRRMUCHGJY-VIFPVBQESA-N 0 3 281.320 -2.048 20 0 CAADHN CS(=O)(=O)CCN[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001419962544 890366305 /nfs/dbraw/zinc/36/63/05/890366305.db2.gz UMPFKNIBJCPGRH-QMMMGPOBSA-N 0 3 287.345 -1.347 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001419962547 890366787 /nfs/dbraw/zinc/36/67/87/890366787.db2.gz UWQTZXCRMUYGII-VIFPVBQESA-N 0 3 296.331 -2.482 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001419935890 890368485 /nfs/dbraw/zinc/36/84/85/890368485.db2.gz LVNPFXDXWYJXAF-BDAKNGLRSA-N 0 3 297.359 -1.434 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001419935894 890369466 /nfs/dbraw/zinc/36/94/66/890369466.db2.gz LVNPFXDXWYJXAF-DTWKUNHWSA-N 0 3 297.359 -1.434 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001419952358 890369848 /nfs/dbraw/zinc/36/98/48/890369848.db2.gz CWMMWHVTRWFWNI-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@H]1CN(C)CC1(C)C)C(N)=O ZINC001419989703 890372568 /nfs/dbraw/zinc/37/25/68/890372568.db2.gz JZBSFMLNKJJFNF-UWVGGRQHSA-N 0 3 284.360 -1.177 20 0 CAADHN COCCN(C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001420049257 890375034 /nfs/dbraw/zinc/37/50/34/890375034.db2.gz WGWSGDDSRUUANY-UHFFFAOYSA-N 0 3 295.405 -1.086 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@@H]1CN(C)CC1(C)C)C(N)=O ZINC001419989707 890376100 /nfs/dbraw/zinc/37/61/00/890376100.db2.gz JZBSFMLNKJJFNF-VHSXEESVSA-N 0 3 284.360 -1.177 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)CNC(C)=O ZINC001420084151 890378191 /nfs/dbraw/zinc/37/81/91/890378191.db2.gz UPRZAYCZJWIIFI-SECBINFHSA-N 0 3 274.321 -2.675 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)N1CCO[C@@H](C)C1 ZINC001420083909 890378425 /nfs/dbraw/zinc/37/84/25/890378425.db2.gz MKKQBVWQUYLLNB-ONGXEEELSA-N 0 3 273.333 -1.680 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2cnccn2)C1=O ZINC001420091055 890378554 /nfs/dbraw/zinc/37/85/54/890378554.db2.gz PDXWZLZHMFFTBE-VHSXEESVSA-N 0 3 293.327 -1.612 20 0 CAADHN CCC(=O)NC[C@@H](O)CNCC(=O)NC[C@H]1CCOC1 ZINC001420081194 890379008 /nfs/dbraw/zinc/37/90/08/890379008.db2.gz JPFNNTOMIHCVHN-MNOVXSKESA-N 0 3 287.360 -1.384 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001420091936 890379074 /nfs/dbraw/zinc/37/90/74/890379074.db2.gz AVLUGNCGOCITSE-QWRGUYRKSA-N 0 3 297.359 -1.607 20 0 CAADHN CCC(=O)NC[C@H](O)CNCC(=O)NC[C@@H]1CCOC1 ZINC001420081197 890379103 /nfs/dbraw/zinc/37/91/03/890379103.db2.gz JPFNNTOMIHCVHN-WDEREUQCSA-N 0 3 287.360 -1.384 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)CNC(C)=O ZINC001420084160 890379127 /nfs/dbraw/zinc/37/91/27/890379127.db2.gz UPRZAYCZJWIIFI-VIFPVBQESA-N 0 3 274.321 -2.675 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)N1CCO[C@H](C)C1 ZINC001420083908 890379711 /nfs/dbraw/zinc/37/97/11/890379711.db2.gz MKKQBVWQUYLLNB-MWLCHTKSSA-N 0 3 273.333 -1.680 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2ccccn2)C1=O ZINC001420085380 890380187 /nfs/dbraw/zinc/38/01/87/890380187.db2.gz XSCUVZFDKSGAPW-JQWIXIFHSA-N 0 3 292.339 -1.007 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnccn1 ZINC001420089257 890380240 /nfs/dbraw/zinc/38/02/40/890380240.db2.gz MNIPFHAVIJXVGU-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cnccn2)C1=O ZINC001420090995 890380566 /nfs/dbraw/zinc/38/05/66/890380566.db2.gz PDXWZLZHMFFTBE-NXEZZACHSA-N 0 3 293.327 -1.612 20 0 CAADHN CCCNC(=O)NC(=O)CNC[C@H](O)CNC(C)=O ZINC001420079522 890380738 /nfs/dbraw/zinc/38/07/38/890380738.db2.gz HJMHQZYEYVPEDU-VIFPVBQESA-N 0 3 274.321 -1.691 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001420091946 890380962 /nfs/dbraw/zinc/38/09/62/890380962.db2.gz AVLUGNCGOCITSE-WDEREUQCSA-N 0 3 297.359 -1.607 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1CCC(O)CC1 ZINC001420099805 890381805 /nfs/dbraw/zinc/38/18/05/890381805.db2.gz DORVHLXGNLQOPK-RTBKNWGFSA-N 0 3 273.333 -1.911 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CN1CCOCC1 ZINC001420105491 890382130 /nfs/dbraw/zinc/38/21/30/890382130.db2.gz GDJGSOVVZSHLHK-JTQLQIEISA-N 0 3 288.348 -2.869 20 0 CAADHN CCn1ccnc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001420103128 890382508 /nfs/dbraw/zinc/38/25/08/890382508.db2.gz GZFLEQJYYJWZKX-JTQLQIEISA-N 0 3 297.359 -1.329 20 0 CAADHN CC(C)C(=O)NC[C@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001420108111 890382539 /nfs/dbraw/zinc/38/25/39/890382539.db2.gz OACLQHYWKZEDOF-HTQZYQBOSA-N 0 3 274.321 -1.708 20 0 CAADHN O=C(Cc1cc[nH]n1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420096954 890382947 /nfs/dbraw/zinc/38/29/47/890382947.db2.gz DTAJVHCTUDBARU-UWVGGRQHSA-N 0 3 281.316 -2.093 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CCn1cccn1 ZINC001420101800 890383058 /nfs/dbraw/zinc/38/30/58/890383058.db2.gz KZXHDVOBJVOSPG-NSHDSACASA-N 0 3 297.359 -1.572 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)[nH]n1 ZINC001420099070 890383107 /nfs/dbraw/zinc/38/31/07/890383107.db2.gz GLOUNFDYQSQULI-NXEZZACHSA-N 0 3 295.343 -1.459 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccn[nH]1)N1CCCC1 ZINC001420107785 890383553 /nfs/dbraw/zinc/38/35/53/890383553.db2.gz LUKFRQQTCXYLDY-SNVBAGLBSA-N 0 3 295.343 -1.288 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)[nH]n1 ZINC001420096824 890383627 /nfs/dbraw/zinc/38/36/27/890383627.db2.gz DUEKUVFSMKKICS-APPZFPTMSA-N 0 3 283.332 -1.474 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)C1=CCOCC1 ZINC001420107342 890383696 /nfs/dbraw/zinc/38/36/96/890383696.db2.gz GWOJDMGBSVVUJV-LBPRGKRZSA-N 0 3 299.371 -1.074 20 0 CAADHN CC(C)C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001420108130 890383814 /nfs/dbraw/zinc/38/38/14/890383814.db2.gz OACLQHYWKZEDOF-YUMQZZPRSA-N 0 3 274.321 -1.708 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)[nH]n1 ZINC001420096908 890385371 /nfs/dbraw/zinc/38/53/71/890385371.db2.gz DUEKUVFSMKKICS-VXNVDRBHSA-N 0 3 283.332 -1.474 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001420107340 890386408 /nfs/dbraw/zinc/38/64/08/890386408.db2.gz GWOJDMGBSVVUJV-GFCCVEGCSA-N 0 3 299.371 -1.074 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCOC1 ZINC001420116284 890386846 /nfs/dbraw/zinc/38/68/46/890386846.db2.gz VKIHGHPJOISRPM-ZJUUUORDSA-N 0 3 273.333 -1.774 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCCO1 ZINC001420114403 890387368 /nfs/dbraw/zinc/38/73/68/890387368.db2.gz QROXBLDOEBUIAP-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)nnn1C ZINC001420112226 890387475 /nfs/dbraw/zinc/38/74/75/890387475.db2.gz NGRGJSPQSPVZNG-BDAKNGLRSA-N 0 3 296.331 -2.308 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cc(C)ncn1)C(N)=O ZINC001420113819 890387740 /nfs/dbraw/zinc/38/77/40/890387740.db2.gz PTWWXRCTYAOMFS-UWVGGRQHSA-N 0 3 295.343 -1.271 20 0 CAADHN O=C(CC1CCOCC1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420111768 890387819 /nfs/dbraw/zinc/38/78/19/890387819.db2.gz MQLXZYVUMJQBDU-NEPJUHHUSA-N 0 3 299.371 -1.242 20 0 CAADHN O=C(CC1CCOCC1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420111803 890387851 /nfs/dbraw/zinc/38/78/51/890387851.db2.gz MQLXZYVUMJQBDU-RYUDHWBXSA-N 0 3 299.371 -1.242 20 0 CAADHN CC(C)OCC(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001420111513 890388285 /nfs/dbraw/zinc/38/82/85/890388285.db2.gz OIPHPDPSVGOPHK-WDEREUQCSA-N 0 3 289.376 -1.045 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C[C@@H]1CCCO1)NC1CC1 ZINC001420111715 890388483 /nfs/dbraw/zinc/38/84/83/890388483.db2.gz NQMXBNIVFFVBEC-RYUDHWBXSA-N 0 3 299.371 -1.099 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001420109551 890388749 /nfs/dbraw/zinc/38/87/49/890388749.db2.gz OPUMDUPIQOEIKJ-SCZZXKLOSA-N 0 3 283.332 -1.765 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001420109576 890388781 /nfs/dbraw/zinc/38/87/81/890388781.db2.gz OPUMDUPIQOEIKJ-WPRPVWTQSA-N 0 3 283.332 -1.765 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2ccon2)n[nH]1 ZINC001420116687 890389036 /nfs/dbraw/zinc/38/90/36/890389036.db2.gz SPSGYYSXLICIHJ-QMMMGPOBSA-N 0 3 280.288 -1.018 20 0 CAADHN O=C(CC1CCOCC1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420111788 890389094 /nfs/dbraw/zinc/38/90/94/890389094.db2.gz MQLXZYVUMJQBDU-NWDGAFQWSA-N 0 3 299.371 -1.242 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420114374 890389404 /nfs/dbraw/zinc/38/94/04/890389404.db2.gz UWGJAQNYMKTXDF-HTQZYQBOSA-N 0 3 283.292 -3.372 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cncnc1 ZINC001420113276 890389504 /nfs/dbraw/zinc/38/95/04/890389504.db2.gz JHMVUEKYRWHMLF-PSASIEDQSA-N 0 3 281.316 -1.709 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001420109564 890389542 /nfs/dbraw/zinc/38/95/42/890389542.db2.gz OPUMDUPIQOEIKJ-WCBMZHEXSA-N 0 3 283.332 -1.765 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C[C@H]1CCCO1)NC1CC1 ZINC001420111728 890390081 /nfs/dbraw/zinc/39/00/81/890390081.db2.gz NQMXBNIVFFVBEC-VXGBXAGGSA-N 0 3 299.371 -1.099 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC001420114409 890390908 /nfs/dbraw/zinc/39/09/08/890390908.db2.gz QROXBLDOEBUIAP-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1cnccc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001420125600 890392097 /nfs/dbraw/zinc/39/20/97/890392097.db2.gz HCSGDQQARLDIJV-UWVGGRQHSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)nnn1C ZINC001420112289 890391146 /nfs/dbraw/zinc/39/11/46/890391146.db2.gz NGRGJSPQSPVZNG-IUCAKERBSA-N 0 3 296.331 -2.308 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C[C@@H]1CCCO1)NC1CC1 ZINC001420111686 890391270 /nfs/dbraw/zinc/39/12/70/890391270.db2.gz NQMXBNIVFFVBEC-NEPJUHHUSA-N 0 3 299.371 -1.099 20 0 CAADHN Cc1cnccc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001420125603 890392238 /nfs/dbraw/zinc/39/22/38/890392238.db2.gz HCSGDQQARLDIJV-ZJUUUORDSA-N 0 3 280.328 -1.056 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)c1ncc[nH]1)C1CC1 ZINC001420123645 890392365 /nfs/dbraw/zinc/39/23/65/890392365.db2.gz BKNBYSORHZDAQP-SNVBAGLBSA-N 0 3 295.343 -1.289 20 0 CAADHN Cc1cnccc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001420125601 890392435 /nfs/dbraw/zinc/39/24/35/890392435.db2.gz HCSGDQQARLDIJV-VHSXEESVSA-N 0 3 280.328 -1.056 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCn1ccnn1)C(N)=O ZINC001420118128 890392584 /nfs/dbraw/zinc/39/25/84/890392584.db2.gz UFSQLFRKOVVBLE-BDAKNGLRSA-N 0 3 284.320 -2.391 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001420117175 890392862 /nfs/dbraw/zinc/39/28/62/890392862.db2.gz UOTSVGJRIUVEIF-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN CS[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001420119988 890393384 /nfs/dbraw/zinc/39/33/84/890393384.db2.gz WYLOMJLVDWFWPV-NKWVEPMBSA-N 0 3 292.361 -2.001 20 0 CAADHN O=C(Cn1cccn1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420120013 890393662 /nfs/dbraw/zinc/39/36/62/890393662.db2.gz ZUULPJYVRGFCDD-VHSXEESVSA-N 0 3 281.316 -2.162 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)on1 ZINC001420117835 890394305 /nfs/dbraw/zinc/39/43/05/890394305.db2.gz ZTDLCPBOJULSCH-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001420124848 890394341 /nfs/dbraw/zinc/39/43/41/890394341.db2.gz FDTJQWFLGGBTJA-UWVGGRQHSA-N 0 3 289.332 -2.395 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CNCC(N)=O)sn1 ZINC001420124248 890394379 /nfs/dbraw/zinc/39/43/79/890394379.db2.gz DZDBRQMWDALZIH-ZCFIWIBFSA-N 0 3 288.329 -1.683 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C)[nH]n1 ZINC001420117213 890394851 /nfs/dbraw/zinc/39/48/51/890394851.db2.gz UTSHFFFDHDLZFJ-NXEZZACHSA-N 0 3 297.359 -1.125 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001420119381 890395274 /nfs/dbraw/zinc/39/52/74/890395274.db2.gz WNESCFUMMBFQNJ-CBAPKCEASA-N 0 3 271.321 -1.285 20 0 CAADHN NC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1nnc[n-]1 ZINC001420119156 890395457 /nfs/dbraw/zinc/39/54/57/890395457.db2.gz MCFKITUBJJAPJT-IUCAKERBSA-N 0 3 280.332 -1.293 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001420118310 890395540 /nfs/dbraw/zinc/39/55/40/890395540.db2.gz VUYVCAYTXMFEDI-VHSXEESVSA-N 0 3 296.327 -1.058 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cocn1)N1CCC1 ZINC001420118812 890395575 /nfs/dbraw/zinc/39/55/75/890395575.db2.gz YHZLSSXGYFMGJV-VIFPVBQESA-N 0 3 282.300 -1.413 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001420123486 890395700 /nfs/dbraw/zinc/39/57/00/890395700.db2.gz AMNYLTQTGYGMKS-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCn1ccnn1)C(N)=O ZINC001420118139 890396439 /nfs/dbraw/zinc/39/64/39/890396439.db2.gz UFSQLFRKOVVBLE-DTWKUNHWSA-N 0 3 284.320 -2.391 20 0 CAADHN Cn1nncc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420128564 890396851 /nfs/dbraw/zinc/39/68/51/890396851.db2.gz XPKCBSZNGGKWCJ-YUMQZZPRSA-N 0 3 282.304 -2.616 20 0 CAADHN COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)Cc1nc[nH]n1 ZINC001420139722 890397194 /nfs/dbraw/zinc/39/71/94/890397194.db2.gz HJBJDYQSRBFOMD-MRVPVSSYSA-N 0 3 278.272 -1.029 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001420133179 890397587 /nfs/dbraw/zinc/39/75/87/890397587.db2.gz BLXACWWBUCCDTI-SECBINFHSA-N 0 3 296.331 -2.293 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001420127812 890397798 /nfs/dbraw/zinc/39/77/98/890397798.db2.gz VNDLFVTYLSZLKZ-HTQZYQBOSA-N 0 3 284.320 -2.370 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001420128601 890397924 /nfs/dbraw/zinc/39/79/24/890397924.db2.gz YJZVLPKRWCIQGP-CMPLNLGQSA-N 0 3 287.360 -1.651 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccns1)C(N)=O ZINC001420137474 890398365 /nfs/dbraw/zinc/39/83/65/890398365.db2.gz NFPFXEGOUJCQPI-NKWVEPMBSA-N 0 3 272.330 -1.303 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccns1 ZINC001420136397 890398659 /nfs/dbraw/zinc/39/86/59/890398659.db2.gz LCUYEFVMLHICED-HTQZYQBOSA-N 0 3 286.357 -1.042 20 0 CAADHN CCCn1nccc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001420138111 890398710 /nfs/dbraw/zinc/39/87/10/890398710.db2.gz KFLRJSUNXZAZFH-ZJUUUORDSA-N 0 3 297.359 -1.153 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccc(C)nn1 ZINC001420131992 890398741 /nfs/dbraw/zinc/39/87/41/890398741.db2.gz WWBLWPRCWCOQJX-NXEZZACHSA-N 0 3 295.343 -1.400 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CNCc2cncn2C)nn1 ZINC001420126172 890398959 /nfs/dbraw/zinc/39/89/59/890398959.db2.gz PQGBQBOTWKARHE-JTQLQIEISA-N 0 3 293.331 -1.571 20 0 CAADHN Cn1cc(C(=O)N2CC(N[C@H]3CCOC3)C2)c(=O)[nH]c1=O ZINC001420132706 890399007 /nfs/dbraw/zinc/39/90/07/890399007.db2.gz LRTDUDXXHJMNOM-QMMMGPOBSA-N 0 3 294.311 -1.311 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccns1)C(N)=O ZINC001420137479 890399131 /nfs/dbraw/zinc/39/91/31/890399131.db2.gz NFPFXEGOUJCQPI-RQJHMYQMSA-N 0 3 272.330 -1.303 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001420142797 890399549 /nfs/dbraw/zinc/39/95/49/890399549.db2.gz ISCSCJKJWJYWFJ-ZJUUUORDSA-N 0 3 295.343 -2.003 20 0 CAADHN Cc1cnccc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420128712 890399707 /nfs/dbraw/zinc/39/97/07/890399707.db2.gz PMSICLFFIWIDBV-JQWIXIFHSA-N 0 3 292.339 -1.041 20 0 CAADHN CCCn1nccc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001420138108 890399937 /nfs/dbraw/zinc/39/99/37/890399937.db2.gz KFLRJSUNXZAZFH-NXEZZACHSA-N 0 3 297.359 -1.153 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001420137537 890399979 /nfs/dbraw/zinc/39/99/79/890399979.db2.gz YTBSDRYYWRZHBD-HTQZYQBOSA-N 0 3 272.305 -2.793 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001420128485 890400206 /nfs/dbraw/zinc/40/02/06/890400206.db2.gz QVITZRUQFPXJNC-SECBINFHSA-N 0 3 299.335 -2.782 20 0 CAADHN Cn1nncc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420128561 890400254 /nfs/dbraw/zinc/40/02/54/890400254.db2.gz XPKCBSZNGGKWCJ-HTQZYQBOSA-N 0 3 282.304 -2.616 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001420127403 890400342 /nfs/dbraw/zinc/40/03/42/890400342.db2.gz UYRIYRVHWWJTAH-QMMMGPOBSA-N 0 3 284.320 -2.276 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccns1 ZINC001420136399 890400383 /nfs/dbraw/zinc/40/03/83/890400383.db2.gz LCUYEFVMLHICED-JGVFFNPUSA-N 0 3 286.357 -1.042 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccc(C)nn1 ZINC001420131998 890400591 /nfs/dbraw/zinc/40/05/91/890400591.db2.gz WWBLWPRCWCOQJX-VHSXEESVSA-N 0 3 295.343 -1.400 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccc(C)nn1 ZINC001420131994 890400447 /nfs/dbraw/zinc/40/04/47/890400447.db2.gz WWBLWPRCWCOQJX-UWVGGRQHSA-N 0 3 295.343 -1.400 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001420127815 890400470 /nfs/dbraw/zinc/40/04/70/890400470.db2.gz VNDLFVTYLSZLKZ-JGVFFNPUSA-N 0 3 284.320 -2.370 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccns1)C(N)=O ZINC001420137472 890400506 /nfs/dbraw/zinc/40/05/06/890400506.db2.gz NFPFXEGOUJCQPI-BQBZGAKWSA-N 0 3 272.330 -1.303 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001420142793 890400537 /nfs/dbraw/zinc/40/05/37/890400537.db2.gz ISCSCJKJWJYWFJ-VHSXEESVSA-N 0 3 295.343 -2.003 20 0 CAADHN O=C(CCn1ccnc1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420156262 890401861 /nfs/dbraw/zinc/40/18/61/890401861.db2.gz HPUYRINEEQVYLZ-MNOVXSKESA-N 0 3 295.343 -1.772 20 0 CAADHN O=C(CCn1ccnc1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420156266 890402022 /nfs/dbraw/zinc/40/20/22/890402022.db2.gz HPUYRINEEQVYLZ-QWRGUYRKSA-N 0 3 295.343 -1.772 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C ZINC001420156118 890402114 /nfs/dbraw/zinc/40/21/14/890402114.db2.gz GWZREWVRNVXVAZ-NXEZZACHSA-N 0 3 297.359 -1.125 20 0 CAADHN COCc1cccc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001420158668 890403065 /nfs/dbraw/zinc/40/30/65/890403065.db2.gz NRWTYQBETJFPPW-GFCCVEGCSA-N 0 3 295.339 -1.001 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1csnn1)C(N)=O ZINC001420157475 890403228 /nfs/dbraw/zinc/40/32/28/890403228.db2.gz NGFIDZGQLDVECD-PHDIDXHHSA-N 0 3 273.318 -1.908 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1csnn1)C(N)=O ZINC001420157478 890403310 /nfs/dbraw/zinc/40/33/10/890403310.db2.gz NGFIDZGQLDVECD-RITPCOANSA-N 0 3 273.318 -1.908 20 0 CAADHN O=C(CCn1ccnc1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420156268 890403414 /nfs/dbraw/zinc/40/34/14/890403414.db2.gz HPUYRINEEQVYLZ-WDEREUQCSA-N 0 3 295.343 -1.772 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1csnn1 ZINC001420152114 890403563 /nfs/dbraw/zinc/40/35/63/890403563.db2.gz GXUVVKAAZKZURH-ZCFIWIBFSA-N 0 3 273.318 -2.036 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccc(=O)n(C)c1)C(N)=O ZINC001420157525 890403688 /nfs/dbraw/zinc/40/36/88/890403688.db2.gz OYKRPQXNLBSBGH-WCBMZHEXSA-N 0 3 296.327 -2.061 20 0 CAADHN Cc1cncc(CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c1 ZINC001420159102 890403744 /nfs/dbraw/zinc/40/37/44/890403744.db2.gz PYLAVNQAFJEKGU-ZYHUDNBSSA-N 0 3 294.355 -1.127 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1csnn1)NC1CC1 ZINC001420153892 890403798 /nfs/dbraw/zinc/40/37/98/890403798.db2.gz IAPYDZASDOBEMI-QMMMGPOBSA-N 0 3 299.356 -1.503 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N1CCC1 ZINC001420162575 890403936 /nfs/dbraw/zinc/40/39/36/890403936.db2.gz JSUPXVCFUZXFJF-MEWQQHAOSA-N 0 3 297.355 -1.822 20 0 CAADHN Cc1cncc(CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001420159075 890404069 /nfs/dbraw/zinc/40/40/69/890404069.db2.gz PYLAVNQAFJEKGU-CMPLNLGQSA-N 0 3 294.355 -1.127 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001420161607 890404164 /nfs/dbraw/zinc/40/41/64/890404164.db2.gz WFOMUZBMCZJCSW-ZETCQYMHSA-N 0 3 283.288 -2.392 20 0 CAADHN CCc1c(C(=O)NC[C@H](O)CNCC(=O)NC)cnn1C ZINC001420152487 890404643 /nfs/dbraw/zinc/40/46/43/890404643.db2.gz HQULPBPTCBDYJM-SECBINFHSA-N 0 3 297.359 -1.591 20 0 CAADHN CCc1cccc(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001420150391 890404759 /nfs/dbraw/zinc/40/47/59/890404759.db2.gz YJZIDLZGGFBEAI-SNVBAGLBSA-N 0 3 280.328 -1.190 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1conc1C1CC1 ZINC001420176284 890405655 /nfs/dbraw/zinc/40/56/55/890405655.db2.gz PGYRDIVURIELEC-QMMMGPOBSA-N 0 3 282.300 -1.282 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)CC(N)=O ZINC001420168706 890405906 /nfs/dbraw/zinc/40/59/06/890405906.db2.gz YCUJVFKZQFXLBB-SFYZADRCSA-N 0 3 274.321 -2.689 20 0 CAADHN Cc1nnccc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420164279 890406055 /nfs/dbraw/zinc/40/60/55/890406055.db2.gz YDNSQFMHMMSZPD-MWLCHTKSSA-N 0 3 293.327 -1.646 20 0 CAADHN Cc1ccn(CC(=O)NC[C@@H](O)CNCC(N)=O)c(=O)c1 ZINC001420174153 890406074 /nfs/dbraw/zinc/40/60/74/890406074.db2.gz ALGYCKQEAAVERP-JTQLQIEISA-N 0 3 296.327 -2.291 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1csc2cncn21 ZINC001420180828 890406686 /nfs/dbraw/zinc/40/66/86/890406686.db2.gz SRWQVBKEGRCXDO-ZETCQYMHSA-N 0 3 297.340 -1.439 20 0 CAADHN CC(F)(F)CC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001420177038 890407444 /nfs/dbraw/zinc/40/74/44/890407444.db2.gz RFDZEQYZAHUYMR-LURJTMIESA-N 0 3 296.274 -1.707 20 0 CAADHN CCn1ccc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001420178008 890407871 /nfs/dbraw/zinc/40/78/71/890407871.db2.gz BYZJCBUYAGCDPV-NXEZZACHSA-N 0 3 295.343 -1.528 20 0 CAADHN CC(C)[C@H](C)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001420179295 890408213 /nfs/dbraw/zinc/40/82/13/890408213.db2.gz PQGFCWVACDRTEG-DTWKUNHWSA-N 0 3 288.348 -1.460 20 0 CAADHN Cn1cc(Cl)cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001420164949 890408237 /nfs/dbraw/zinc/40/82/37/890408237.db2.gz YHYAMHVIRPHYHV-QMMMGPOBSA-N 0 3 288.735 -1.156 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CS(=O)(=O)NC ZINC001420256570 890420329 /nfs/dbraw/zinc/42/03/29/890420329.db2.gz VZFJIPCFVSUAHF-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@H](C(=O)NC[C@H](O)CNCC(N)=O)C(F)(F)F ZINC001420167065 890408414 /nfs/dbraw/zinc/40/84/14/890408414.db2.gz FPODBYDGGFRLTE-PHDIDXHHSA-N 0 3 271.239 -1.263 20 0 CAADHN Cc1cc(CCC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)no1 ZINC001420175650 890408425 /nfs/dbraw/zinc/40/84/25/890408425.db2.gz NPAUGWYBTOFUST-KOLCDFICSA-N 0 3 298.343 -1.144 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)CC(N)=O ZINC001420168707 890408544 /nfs/dbraw/zinc/40/85/44/890408544.db2.gz YCUJVFKZQFXLBB-YUMQZZPRSA-N 0 3 274.321 -2.689 20 0 CAADHN CC(C)[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001420179294 890408629 /nfs/dbraw/zinc/40/86/29/890408629.db2.gz PQGFCWVACDRTEG-BDAKNGLRSA-N 0 3 288.348 -1.460 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC12CCC2 ZINC001420185282 890409895 /nfs/dbraw/zinc/40/98/95/890409895.db2.gz YQWZVBJURFUNHX-DTWKUNHWSA-N 0 3 298.343 -1.562 20 0 CAADHN Cc1cc(CNC[C@H](O)CNC(=O)c2nnc[nH]2)nn1C ZINC001420191982 890410001 /nfs/dbraw/zinc/41/00/01/890410001.db2.gz HMCJLOKAPYJCNJ-JTQLQIEISA-N 0 3 293.331 -1.273 20 0 CAADHN Cc1cc(CNC[C@H](O)CNC(=O)c2ncn[nH]2)nn1C ZINC001420191982 890410008 /nfs/dbraw/zinc/41/00/08/890410008.db2.gz HMCJLOKAPYJCNJ-JTQLQIEISA-N 0 3 293.331 -1.273 20 0 CAADHN C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)c1cccnc1 ZINC001420190736 890410074 /nfs/dbraw/zinc/41/00/74/890410074.db2.gz FGJQHJJFCJXATH-MWLCHTKSSA-N 0 3 280.328 -1.263 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2ccn(C)n2)n[nH]1 ZINC001420195452 890410289 /nfs/dbraw/zinc/41/02/89/890410289.db2.gz YEJRPGLVNHTWNO-VIFPVBQESA-N 0 3 293.331 -1.273 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)n1 ZINC001420185837 890410263 /nfs/dbraw/zinc/41/02/63/890410263.db2.gz ARNXPLFKLLXHSO-SNVBAGLBSA-N 0 3 295.343 -1.667 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001420182631 890410275 /nfs/dbraw/zinc/41/02/75/890410275.db2.gz PPNOAFRBBRMVAV-JTQLQIEISA-N 0 3 297.359 -1.075 20 0 CAADHN Cc1ncc(CNC[C@H](O)CNC(=O)c2nnc[nH]2)o1 ZINC001420188583 890410332 /nfs/dbraw/zinc/41/03/32/890410332.db2.gz CBHOBBFRPXTZNR-QMMMGPOBSA-N 0 3 280.288 -1.018 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2cnon2)C1=O ZINC001420188536 890410482 /nfs/dbraw/zinc/41/04/82/890410482.db2.gz BTPQLCXNKITPLH-JGVFFNPUSA-N 0 3 283.288 -2.019 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@]1(C)CCOC1 ZINC001420185202 890410699 /nfs/dbraw/zinc/41/06/99/890410699.db2.gz MOFWXGMRRNDJEZ-MFKMUULPSA-N 0 3 287.360 -1.384 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c1C ZINC001420193401 890410801 /nfs/dbraw/zinc/41/08/01/890410801.db2.gz ILPOLAIYWYFDIH-WPRPVWTQSA-N 0 3 297.359 -1.234 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccncn1 ZINC001420196304 890410815 /nfs/dbraw/zinc/41/08/15/890410815.db2.gz MQCWGGWAUXFEBN-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC12CCC2 ZINC001420185286 890410922 /nfs/dbraw/zinc/41/09/22/890410922.db2.gz YQWZVBJURFUNHX-RKDXNWHRSA-N 0 3 298.343 -1.562 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1nocc1C ZINC001420191482 890411528 /nfs/dbraw/zinc/41/15/28/890411528.db2.gz DYUJZKYJRXFVGI-QMMMGPOBSA-N 0 3 270.289 -1.591 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccnnc1 ZINC001420191872 890411748 /nfs/dbraw/zinc/41/17/48/890411748.db2.gz LRJQCHDIOPPHCJ-UWVGGRQHSA-N 0 3 279.300 -1.955 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cnon2)C1=O ZINC001420188531 890411639 /nfs/dbraw/zinc/41/16/39/890411639.db2.gz BTPQLCXNKITPLH-HTQZYQBOSA-N 0 3 283.288 -2.019 20 0 CAADHN C[C@H](C(=O)NC[C@H](O)CNCC(N)=O)c1cccnc1 ZINC001420190732 890411900 /nfs/dbraw/zinc/41/19/00/890411900.db2.gz FGJQHJJFCJXATH-GXSJLCMTSA-N 0 3 280.328 -1.263 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001420189436 890411909 /nfs/dbraw/zinc/41/19/09/890411909.db2.gz JKJRMVZTIWUITK-SECBINFHSA-N 0 3 283.332 -1.811 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccnnc1 ZINC001420191883 890412171 /nfs/dbraw/zinc/41/21/71/890412171.db2.gz LRJQCHDIOPPHCJ-ZJUUUORDSA-N 0 3 279.300 -1.955 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)n1 ZINC001420185828 890412216 /nfs/dbraw/zinc/41/22/16/890412216.db2.gz ARNXPLFKLLXHSO-JTQLQIEISA-N 0 3 295.343 -1.667 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cn1cncn1)C(N)=O ZINC001420198805 890413370 /nfs/dbraw/zinc/41/33/70/890413370.db2.gz AILLWPAWOHYZSD-BDAKNGLRSA-N 0 3 284.320 -2.391 20 0 CAADHN CCCc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)no1 ZINC001420203274 890413154 /nfs/dbraw/zinc/41/31/54/890413154.db2.gz XNWMOSFCKSNTEM-QMMMGPOBSA-N 0 3 284.316 -1.207 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNCc1cn(C)nn1)N(C)C ZINC001420197614 890413280 /nfs/dbraw/zinc/41/32/80/890413280.db2.gz PJFXEDJIZADIJO-NEPJUHHUSA-N 0 3 298.391 -1.278 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001420721491 890460975 /nfs/dbraw/zinc/46/09/75/890460975.db2.gz AYBCTPDQULLVKA-WPRPVWTQSA-N 0 3 272.349 -1.177 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)ccn1 ZINC001420201350 890413650 /nfs/dbraw/zinc/41/36/50/890413650.db2.gz UQEOHSIOBVWVIB-NEPJUHHUSA-N 0 3 292.339 -1.041 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001420203624 890413729 /nfs/dbraw/zinc/41/37/29/890413729.db2.gz XPEABFKHRUPWPX-IUCAKERBSA-N 0 3 286.332 -2.532 20 0 CAADHN O=C(Cn1cncn1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001420200888 890413923 /nfs/dbraw/zinc/41/39/23/890413923.db2.gz DECJOOUSTFOPBI-UWVGGRQHSA-N 0 3 296.331 -2.377 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001420204365 890413939 /nfs/dbraw/zinc/41/39/39/890413939.db2.gz JBWVLAPTEXMOCJ-LLVKDONJSA-N 0 3 297.359 -1.526 20 0 CAADHN CCn1nc(C(=O)NC[C@H](O)CNCC(N)=O)ccc1=O ZINC001420196753 890413947 /nfs/dbraw/zinc/41/39/47/890413947.db2.gz OQOHMGNXQIGGBH-MRVPVSSYSA-N 0 3 297.315 -2.571 20 0 CAADHN CC(C)(C(=O)NC[C@H](O)CNCC(N)=O)c1c[nH]cn1 ZINC001420201437 890413971 /nfs/dbraw/zinc/41/39/71/890413971.db2.gz SZAZPKRYWSHRSJ-MRVPVSSYSA-N 0 3 283.332 -1.761 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)ccn1 ZINC001420203446 890414190 /nfs/dbraw/zinc/41/41/90/890414190.db2.gz XKCUVYCPFUJMGB-GXSJLCMTSA-N 0 3 280.328 -1.056 20 0 CAADHN O=C(Cn1cncn1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001420200867 890414632 /nfs/dbraw/zinc/41/46/32/890414632.db2.gz DECJOOUSTFOPBI-NXEZZACHSA-N 0 3 296.331 -2.377 20 0 CAADHN CCc1nc(C(=O)NC[C@@H](O)CNCC(=O)NC)c(C)o1 ZINC001420196440 890415090 /nfs/dbraw/zinc/41/50/90/890415090.db2.gz XPMHQDWBSBUCFR-VIFPVBQESA-N 0 3 298.343 -1.028 20 0 CAADHN CC(C)(C(=O)NC[C@@H](O)CNCC(N)=O)c1c[nH]cn1 ZINC001420201442 890415146 /nfs/dbraw/zinc/41/51/46/890415146.db2.gz SZAZPKRYWSHRSJ-QMMMGPOBSA-N 0 3 283.332 -1.761 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)ccn1 ZINC001420201358 890415263 /nfs/dbraw/zinc/41/52/63/890415263.db2.gz UQEOHSIOBVWVIB-RYUDHWBXSA-N 0 3 292.339 -1.041 20 0 CAADHN CCn1nc(C(=O)NC[C@@H](O)CNCC(N)=O)ccc1=O ZINC001420196756 890415330 /nfs/dbraw/zinc/41/53/30/890415330.db2.gz OQOHMGNXQIGGBH-QMMMGPOBSA-N 0 3 297.315 -2.571 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)ccn1 ZINC001420203458 890415593 /nfs/dbraw/zinc/41/55/93/890415593.db2.gz XKCUVYCPFUJMGB-MWLCHTKSSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420206619 890415729 /nfs/dbraw/zinc/41/57/29/890415729.db2.gz RQGFFUVMLKQEML-HTQZYQBOSA-N 0 3 283.288 -2.053 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NCCN(C)C[C@@H](C)O ZINC001420216539 890417864 /nfs/dbraw/zinc/41/78/64/890417864.db2.gz XJZYGWAKNMCUIK-NXEZZACHSA-N 0 3 295.405 -1.257 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1cnn(C)c1)C(N)=O ZINC001420210375 890418595 /nfs/dbraw/zinc/41/85/95/890418595.db2.gz JDJRDMKCYZTJKY-MWLCHTKSSA-N 0 3 297.359 -1.707 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001420217445 890418700 /nfs/dbraw/zinc/41/87/00/890418700.db2.gz AIMLIIASQWLPMC-VHSXEESVSA-N 0 3 295.343 -1.323 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)NC(=O)CNC(C)=O)C1=O ZINC001420247766 890420914 /nfs/dbraw/zinc/42/09/14/890420914.db2.gz AKFMYELPKUMYEB-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN Cn1c(Cl)ncc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001420266349 890420949 /nfs/dbraw/zinc/42/09/49/890420949.db2.gz MTOARAIOUJNPEY-ZCFIWIBFSA-N 0 3 289.723 -1.761 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CCc1ccon1 ZINC001420245332 890420972 /nfs/dbraw/zinc/42/09/72/890420972.db2.gz BIDUSTUDPXYISX-LLVKDONJSA-N 0 3 298.343 -1.238 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)Cn1cnnn1 ZINC001420261966 890421271 /nfs/dbraw/zinc/42/12/71/890421271.db2.gz UTHLRZPWQDJKBI-RKDXNWHRSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)Cn1cnnn1 ZINC001420261960 890421362 /nfs/dbraw/zinc/42/13/62/890421362.db2.gz UTHLRZPWQDJKBI-BDAKNGLRSA-N 0 3 295.347 -1.566 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001420253991 890421658 /nfs/dbraw/zinc/42/16/58/890421658.db2.gz PTYMHPXHLQMGKF-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN Cn1c(Cl)ncc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001420266345 890421441 /nfs/dbraw/zinc/42/14/41/890421441.db2.gz MTOARAIOUJNPEY-LURJTMIESA-N 0 3 289.723 -1.761 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001420268723 890422144 /nfs/dbraw/zinc/42/21/44/890422144.db2.gz HJJFUFFHTCVDJL-BDAKNGLRSA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)CNC(C)=O ZINC001420249475 890422385 /nfs/dbraw/zinc/42/23/85/890422385.db2.gz GDCFVDQANNLROC-SSDOTTSWSA-N 0 3 287.320 -2.328 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H](C)OC ZINC001420265756 890422919 /nfs/dbraw/zinc/42/29/19/890422919.db2.gz KBRMTLLETCMNJA-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1ccncc1 ZINC001420249444 890422995 /nfs/dbraw/zinc/42/29/95/890422995.db2.gz GAQPOKIKWGPFKQ-MRVPVSSYSA-N 0 3 279.300 -1.016 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CCn1cnnn1 ZINC001420239732 890423241 /nfs/dbraw/zinc/42/32/41/890423241.db2.gz UWVRXYJLWXLXPS-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN Cc1cc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)cnn1 ZINC001420276896 890424028 /nfs/dbraw/zinc/42/40/28/890424028.db2.gz KLPPHNXXWZGIGP-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN CC1(C)CO[C@@H](CC(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001420277650 890424687 /nfs/dbraw/zinc/42/46/87/890424687.db2.gz WOTJPUFBEIZQOE-UWVGGRQHSA-N 0 3 287.360 -1.256 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CCCS(N)(=O)=O ZINC001420278923 890424720 /nfs/dbraw/zinc/42/47/20/890424720.db2.gz CHDHKACILMODTL-SECBINFHSA-N 0 3 281.378 -1.516 20 0 CAADHN CC1(C)CO[C@@H](CC(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001420277659 890424952 /nfs/dbraw/zinc/42/49/52/890424952.db2.gz WOTJPUFBEIZQOE-ZJUUUORDSA-N 0 3 287.360 -1.256 20 0 CAADHN CC1(C)CO[C@H](CC(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001420277653 890425323 /nfs/dbraw/zinc/42/53/23/890425323.db2.gz WOTJPUFBEIZQOE-VHSXEESVSA-N 0 3 287.360 -1.256 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCS(=O)(=O)NC ZINC001420279674 890425894 /nfs/dbraw/zinc/42/58/94/890425894.db2.gz APNYYRRDIPWRNZ-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CCCS(N)(=O)=O ZINC001420278925 890426200 /nfs/dbraw/zinc/42/62/00/890426200.db2.gz CHDHKACILMODTL-VIFPVBQESA-N 0 3 281.378 -1.516 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC001420294056 890426286 /nfs/dbraw/zinc/42/62/86/890426286.db2.gz XUWYLWLCBBKAKP-BDAKNGLRSA-N 0 3 296.327 -1.023 20 0 CAADHN CCn1nncc1C(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001420273887 890426707 /nfs/dbraw/zinc/42/67/07/890426707.db2.gz OCIRNZBVDBVARU-BDAKNGLRSA-N 0 3 280.332 -1.106 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC001420294059 890426757 /nfs/dbraw/zinc/42/67/57/890426757.db2.gz XUWYLWLCBBKAKP-RKDXNWHRSA-N 0 3 296.327 -1.023 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCN1CCOCC1 ZINC001420336482 890428421 /nfs/dbraw/zinc/42/84/21/890428421.db2.gz CMSSFPTVNRZQRY-GHMZBOCLSA-N 0 3 286.376 -1.323 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001420301380 890428835 /nfs/dbraw/zinc/42/88/35/890428835.db2.gz HSHFADNBTZRWSE-HRDYMLBCSA-N 0 3 270.333 -1.377 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CCS(C)(=O)=O ZINC001420315279 890428918 /nfs/dbraw/zinc/42/89/18/890428918.db2.gz VFDHLYDFWLGLNL-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001420332042 890429504 /nfs/dbraw/zinc/42/95/04/890429504.db2.gz ZHAUDEHAXMZRIE-APPZFPTMSA-N 0 3 294.315 -2.055 20 0 CAADHN CN(CCO)CCNC(=O)Cn1ncn2nccc2c1=O ZINC001420306107 890429541 /nfs/dbraw/zinc/42/95/41/890429541.db2.gz HRKHFXOAOPVIOZ-UHFFFAOYSA-N 0 3 294.315 -2.069 20 0 CAADHN CN(CCCO)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001420304017 890429695 /nfs/dbraw/zinc/42/96/95/890429695.db2.gz WLMFHEBWUTUMLS-UHFFFAOYSA-N 0 3 295.405 -1.255 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)c1nnn(C)n1 ZINC001420332268 890429660 /nfs/dbraw/zinc/42/96/60/890429660.db2.gz WFTNYXDAKFKWMD-MRVPVSSYSA-N 0 3 295.347 -1.556 20 0 CAADHN CN(CCO)CCNC(=O)CN1CCC(=O)NC1=O ZINC001420323118 890429823 /nfs/dbraw/zinc/42/98/23/890429823.db2.gz CNSSWQMSKLVOHX-UHFFFAOYSA-N 0 3 272.305 -2.031 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCNS(C)(=O)=O ZINC001420297025 890429847 /nfs/dbraw/zinc/42/98/47/890429847.db2.gz KQAQKSVGWFZZHK-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001420309690 890430177 /nfs/dbraw/zinc/43/01/77/890430177.db2.gz OQEQSPSNARTRNB-RNCFNFMXSA-N 0 3 284.360 -1.257 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001420295184 890430356 /nfs/dbraw/zinc/43/03/56/890430356.db2.gz POCRYTFFGZHUIQ-SECBINFHSA-N 0 3 283.336 -1.708 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001420329580 890430433 /nfs/dbraw/zinc/43/04/33/890430433.db2.gz CSQOSYASCLJUHD-REIXXSIJSA-N 0 3 298.343 -1.571 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001420305128 890430648 /nfs/dbraw/zinc/43/06/48/890430648.db2.gz FWKYZXYFRTXTJM-VIFPVBQESA-N 0 3 296.393 -2.189 20 0 CAADHN CCn1nc(C(=O)N[C@H](C)CNCC(=O)NC)ccc1=O ZINC001420348891 890432069 /nfs/dbraw/zinc/43/20/69/890432069.db2.gz NGWWXJNEWBNOMX-SECBINFHSA-N 0 3 295.343 -1.283 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001420354021 890432501 /nfs/dbraw/zinc/43/25/01/890432501.db2.gz RKJQLKCMODKSMY-MRVPVSSYSA-N 0 3 275.330 -1.218 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001420340784 890433357 /nfs/dbraw/zinc/43/33/57/890433357.db2.gz DVWKXUOAJVYVEG-RNCFNFMXSA-N 0 3 284.360 -1.115 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001420375635 890435035 /nfs/dbraw/zinc/43/50/35/890435035.db2.gz HILKTKVPSDDQGB-BDAKNGLRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)Cc1cncn1C ZINC001420367382 890435077 /nfs/dbraw/zinc/43/50/77/890435077.db2.gz QXJPYLVZZYTAOU-MWLCHTKSSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)c1cn[nH]c1 ZINC001420392267 890435191 /nfs/dbraw/zinc/43/51/91/890435191.db2.gz PVJLGYIPBLEQHK-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1nccnc1N ZINC001420405328 890435541 /nfs/dbraw/zinc/43/55/41/890435541.db2.gz PKWXWFGQXCUACE-JGVFFNPUSA-N 0 3 280.332 -1.099 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1ccnn1C ZINC001420396278 890435896 /nfs/dbraw/zinc/43/58/96/890435896.db2.gz WYYLKQBJCGMVKR-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)Cn1cncn1 ZINC001420377258 890436197 /nfs/dbraw/zinc/43/61/97/890436197.db2.gz YUEJJFDODZNZBQ-MRVPVSSYSA-N 0 3 294.319 -2.006 20 0 CAADHN C[C@@H](CNCc1cnnn1C)NC(=O)[C@H]1CN(C)CCO1 ZINC001420405822 890436577 /nfs/dbraw/zinc/43/65/77/890436577.db2.gz RFTCVJNUJJURQB-CMPLNLGQSA-N 0 3 296.375 -1.260 20 0 CAADHN CC(C)OCC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001420394439 890436661 /nfs/dbraw/zinc/43/66/61/890436661.db2.gz RDGBPPOOQQPXPK-QMMMGPOBSA-N 0 3 274.321 -1.299 20 0 CAADHN CCO[C@@H](C)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001420393245 890436778 /nfs/dbraw/zinc/43/67/78/890436778.db2.gz SHFYLYPDXPWTNT-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)Cn1cncn1 ZINC001420374411 890436853 /nfs/dbraw/zinc/43/68/53/890436853.db2.gz LRBMTAGLOPJYKE-SNVBAGLBSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C[C@@H](C)OC ZINC001420395296 890436900 /nfs/dbraw/zinc/43/69/00/890436900.db2.gz UGHCXQWPPVEBHD-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCn1cncn1 ZINC001420398105 890437222 /nfs/dbraw/zinc/43/72/22/890437222.db2.gz FJGCMFQLWFUBCQ-VHSXEESVSA-N 0 3 282.348 -1.103 20 0 CAADHN Cc1nn(CC(=O)N[C@H](C)CN[C@@H](C)C(N)=O)c(=O)n1C ZINC001420364902 890436958 /nfs/dbraw/zinc/43/69/58/890436958.db2.gz CDCRSAAWVZWGGE-SFYZADRCSA-N 0 3 298.347 -2.142 20 0 CAADHN CC[C@H](C)NC(=O)CNC[C@H](C)NC(=O)Cn1cnnn1 ZINC001420403444 890437211 /nfs/dbraw/zinc/43/72/11/890437211.db2.gz YYEYGVRGXYPNFB-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001420404680 890437423 /nfs/dbraw/zinc/43/74/23/890437423.db2.gz ZTZXFWVAJOQDDR-WPRPVWTQSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001420374672 890437494 /nfs/dbraw/zinc/43/74/94/890437494.db2.gz CIOSKGQOCWWGFS-HTQZYQBOSA-N 0 3 279.362 -1.753 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CCn1cncn1 ZINC001420398103 890437766 /nfs/dbraw/zinc/43/77/66/890437766.db2.gz FJGCMFQLWFUBCQ-UWVGGRQHSA-N 0 3 282.348 -1.103 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001420374673 890437788 /nfs/dbraw/zinc/43/77/88/890437788.db2.gz CIOSKGQOCWWGFS-JGVFFNPUSA-N 0 3 279.362 -1.753 20 0 CAADHN CC[C@@H](C)NC(=O)CNC[C@H](C)NC(=O)Cn1cnnn1 ZINC001420403445 890437972 /nfs/dbraw/zinc/43/79/72/890437972.db2.gz YYEYGVRGXYPNFB-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN COCCn1cc(C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O)nn1 ZINC001420417647 890439528 /nfs/dbraw/zinc/43/95/28/890439528.db2.gz AKXFKGKNNVZMDU-IUCAKERBSA-N 0 3 298.347 -1.494 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)c1cn(C)nn1 ZINC001420413113 890439828 /nfs/dbraw/zinc/43/98/28/890439828.db2.gz IQHKMHPLHBFNLX-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001420419552 890440061 /nfs/dbraw/zinc/44/00/61/890440061.db2.gz HJEPEGDZFOXWBK-ZETCQYMHSA-N 0 3 299.335 -2.368 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001420422334 890440168 /nfs/dbraw/zinc/44/01/68/890440168.db2.gz VAICNKRXTRWJIN-DTWKUNHWSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)c1cnn(C)c1N ZINC001420413263 890440292 /nfs/dbraw/zinc/44/02/92/890440292.db2.gz STDXANDHEKDYGJ-VIFPVBQESA-N 0 3 294.359 -1.058 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H](C)NC(N)=O ZINC001420412662 890440499 /nfs/dbraw/zinc/44/04/99/890440499.db2.gz DJEYPOZJKBESFD-YUMQZZPRSA-N 0 3 273.337 -1.774 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CN(C)S(C)(=O)=O ZINC001420420516 890441402 /nfs/dbraw/zinc/44/14/02/890441402.db2.gz CINFQUJSMZPHRC-YUMQZZPRSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001420430849 890441429 /nfs/dbraw/zinc/44/14/29/890441429.db2.gz HSHFADNBTZRWSE-XHNCKOQMSA-N 0 3 270.333 -1.377 20 0 CAADHN CCN(CCNC(=O)c1nc[nH]n1)CC(=O)NC(=O)NC ZINC001420437494 890441653 /nfs/dbraw/zinc/44/16/53/890441653.db2.gz RMJMPQHFJURWEZ-UHFFFAOYSA-N 0 3 297.319 -1.688 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)Cn1ncnn1 ZINC001420422859 890441799 /nfs/dbraw/zinc/44/17/99/890441799.db2.gz ROFDDZNQENTKSB-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001420453727 890442757 /nfs/dbraw/zinc/44/27/57/890442757.db2.gz QBXRTQDQAUISBU-HBNTYKKESA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CNCc1nnnn1C)NC(=O)CCc1cnn[nH]1 ZINC001420462284 890443449 /nfs/dbraw/zinc/44/34/49/890443449.db2.gz DLMGGXJZMQMNIF-QMMMGPOBSA-N 0 3 293.335 -1.445 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001420453724 890443619 /nfs/dbraw/zinc/44/36/19/890443619.db2.gz QBXRTQDQAUISBU-GARJFASQSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1ccncn1 ZINC001420484731 890443716 /nfs/dbraw/zinc/44/37/16/890443716.db2.gz VSVJYJPIMVNQAL-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN COc1cc(=O)[nH]cc1C(=O)N[C@@H](C)CNCC(N)=O ZINC001420473531 890443734 /nfs/dbraw/zinc/44/37/34/890443734.db2.gz XMHHIKCFNKTPEO-ZETCQYMHSA-N 0 3 282.300 -1.011 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1nnn(C)n1 ZINC001420458301 890443874 /nfs/dbraw/zinc/44/38/74/890443874.db2.gz JHFNHYVSVDBCSD-JGVFFNPUSA-N 0 3 281.320 -1.851 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001420476277 890444436 /nfs/dbraw/zinc/44/44/36/890444436.db2.gz OUHVFQKGGCSPHE-SDDRHHMPSA-N 0 3 299.371 -1.147 20 0 CAADHN Cn1cnn(CC(=O)NC[C@H]2CCCN2CCO)c1=O ZINC001420479092 890445179 /nfs/dbraw/zinc/44/51/79/890445179.db2.gz BSBURTSCDQHERE-SNVBAGLBSA-N 0 3 283.332 -1.845 20 0 CAADHN COC[C@@H](OC)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001420471303 890446097 /nfs/dbraw/zinc/44/60/97/890446097.db2.gz PGSRPMSWIKUMDR-JGVFFNPUSA-N 0 3 290.320 -2.063 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001420458154 890446236 /nfs/dbraw/zinc/44/62/36/890446236.db2.gz MWKJSPIATWCRPD-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN COCC(=O)NCCC(=O)NC[C@@H]1CCCN1CCO ZINC001420478404 890446364 /nfs/dbraw/zinc/44/63/64/890446364.db2.gz BHQHDFXAUSLREE-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001420511615 890447694 /nfs/dbraw/zinc/44/76/94/890447694.db2.gz UGRDKEHCDKVONZ-QMMMGPOBSA-N 0 3 295.343 -1.042 20 0 CAADHN NS(=O)(=O)CCCC(=O)NC[C@H]1CCCN1CCO ZINC001420507958 890447736 /nfs/dbraw/zinc/44/77/36/890447736.db2.gz SQSXXMSOZUPQOE-SNVBAGLBSA-N 0 3 293.389 -1.372 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cccn(C)c1=O)C(N)=O ZINC001420503615 890448054 /nfs/dbraw/zinc/44/80/54/890448054.db2.gz OKVVMYMYIMQPEA-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN CNC(=O)c1cccc(C(=O)N[C@@H](C)CNCC(N)=O)n1 ZINC001420502748 890448727 /nfs/dbraw/zinc/44/87/27/890448727.db2.gz DQOOKWHLFXWVSL-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420509701 890448747 /nfs/dbraw/zinc/44/87/47/890448747.db2.gz FQDCDHIKCYPRGY-UWVGGRQHSA-N 0 3 296.375 -1.346 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420509701 890448754 /nfs/dbraw/zinc/44/87/54/890448754.db2.gz FQDCDHIKCYPRGY-UWVGGRQHSA-N 0 3 296.375 -1.346 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)Cn1cncn1 ZINC001420499845 890449877 /nfs/dbraw/zinc/44/98/77/890449877.db2.gz KHUHUZOFLPTMTL-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001420553550 890450377 /nfs/dbraw/zinc/45/03/77/890450377.db2.gz QDEJQZBIRUAPDF-KOLCDFICSA-N 0 3 275.349 -1.434 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001420499114 890450805 /nfs/dbraw/zinc/45/08/05/890450805.db2.gz HFWRNINFPNZOJA-NWDGAFQWSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CCc1cn(C)nn1 ZINC001420527558 890450918 /nfs/dbraw/zinc/45/09/18/890450918.db2.gz NIIBLGCXIKWWSL-JTQLQIEISA-N 0 3 296.375 -1.070 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](C)CNCC(=O)NC ZINC001420513992 890450949 /nfs/dbraw/zinc/45/09/49/890450949.db2.gz BPODULJXEFDLIM-QMMMGPOBSA-N 0 3 279.362 -1.739 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001420566160 890452261 /nfs/dbraw/zinc/45/22/61/890452261.db2.gz MZKRUOQNAGFOTL-UWVGGRQHSA-N 0 3 299.375 -1.253 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CCNS(C)(=O)=O ZINC001420583349 890453572 /nfs/dbraw/zinc/45/35/72/890453572.db2.gz OAMBFLMKPWTKDW-SECBINFHSA-N 0 3 281.378 -1.646 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001420613365 890453709 /nfs/dbraw/zinc/45/37/09/890453709.db2.gz QHWNVEKBUYCKCR-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)Cn1ncn(C)c1=O ZINC001420595616 890454930 /nfs/dbraw/zinc/45/49/30/890454930.db2.gz CUZIQLQFWDFCAW-VIFPVBQESA-N 0 3 271.321 -1.989 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)Cn1ncn(C)c1=O ZINC001420595610 890455355 /nfs/dbraw/zinc/45/53/55/890455355.db2.gz CUZIQLQFWDFCAW-SECBINFHSA-N 0 3 271.321 -1.989 20 0 CAADHN COCC(=O)N[C@@H](CN[C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001420700674 890456671 /nfs/dbraw/zinc/45/66/71/890456671.db2.gz QCPGSMZCNJYOPO-CBAPKCEASA-N 0 3 286.332 -1.299 20 0 CAADHN COCC(=O)N[C@@H](CN[C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001420700672 890456935 /nfs/dbraw/zinc/45/69/35/890456935.db2.gz QCPGSMZCNJYOPO-APPZFPTMSA-N 0 3 286.332 -1.299 20 0 CAADHN COCC(=O)N[C@H](CN[C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001420700678 890457563 /nfs/dbraw/zinc/45/75/63/890457563.db2.gz QCPGSMZCNJYOPO-VXNVDRBHSA-N 0 3 286.332 -1.299 20 0 CAADHN COCC(=O)N[C@H](CN[C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001420700675 890457960 /nfs/dbraw/zinc/45/79/60/890457960.db2.gz QCPGSMZCNJYOPO-IONNQARKSA-N 0 3 286.332 -1.299 20 0 CAADHN COCCC(=O)N[C@@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001420697636 890458254 /nfs/dbraw/zinc/45/82/54/890458254.db2.gz BDBCITLSWTWQSV-VIFPVBQESA-N 0 3 286.332 -1.298 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001420727024 890459746 /nfs/dbraw/zinc/45/97/46/890459746.db2.gz LFICMLPKIUBZOZ-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cc(=O)n(C)cn1 ZINC001420739266 890459873 /nfs/dbraw/zinc/45/98/73/890459873.db2.gz ZXNCSCYUWFAIID-SECBINFHSA-N 0 3 293.327 -1.670 20 0 CAADHN C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C1CC1)n1cncn1 ZINC001420720255 890460056 /nfs/dbraw/zinc/46/00/56/890460056.db2.gz CWPYJRCWOMBZDK-WPRPVWTQSA-N 0 3 280.332 -1.191 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(N)=O ZINC001420721430 890460773 /nfs/dbraw/zinc/46/07/73/890460773.db2.gz DBIKQMWLKPWNAX-XHNCKOQMSA-N 0 3 286.332 -2.059 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001420710107 890460432 /nfs/dbraw/zinc/46/04/32/890460432.db2.gz PEDGCYBBBOINQJ-ZJUUUORDSA-N 0 3 298.343 -1.155 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CS(C)(=O)=O ZINC001420718855 890460472 /nfs/dbraw/zinc/46/04/72/890460472.db2.gz ZELVSBRYQIUWDL-QMMMGPOBSA-N 0 3 279.362 -1.787 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)c1cnn(C)c1N ZINC001420714381 890460650 /nfs/dbraw/zinc/46/06/50/890460650.db2.gz MSBNSSAPALWZRY-JTQLQIEISA-N 0 3 294.359 -1.058 20 0 CAADHN C[C@H](C(=O)N[C@@H](CNCC(N)=O)C1CC1)n1cncn1 ZINC001420720249 890460731 /nfs/dbraw/zinc/46/07/31/890460731.db2.gz CWPYJRCWOMBZDK-SCZZXKLOSA-N 0 3 280.332 -1.191 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)C(N)=O ZINC001420735953 890460784 /nfs/dbraw/zinc/46/07/84/890460784.db2.gz STNNJKJFILJPTI-ZJUUUORDSA-N 0 3 299.375 -1.301 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](NC(=O)[C@H]1CCCO1)C1CC1 ZINC001420710106 890460853 /nfs/dbraw/zinc/46/08/53/890460853.db2.gz PEDGCYBBBOINQJ-VHSXEESVSA-N 0 3 298.343 -1.155 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cnnn1C)C(=O)NC(N)=O ZINC001420717765 890460860 /nfs/dbraw/zinc/46/08/60/890460860.db2.gz QIXNQZJQEDUYGM-SSDOTTSWSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)C(N)=O ZINC001420735947 890460877 /nfs/dbraw/zinc/46/08/77/890460877.db2.gz STNNJKJFILJPTI-UWVGGRQHSA-N 0 3 299.375 -1.301 20 0 CAADHN C[C@@H](C(=O)N[C@H](CNCC(N)=O)C1CC1)n1cncn1 ZINC001420720251 890460886 /nfs/dbraw/zinc/46/08/86/890460886.db2.gz CWPYJRCWOMBZDK-WCBMZHEXSA-N 0 3 280.332 -1.191 20 0 CAADHN COC(=O)NCC(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001420714511 890460907 /nfs/dbraw/zinc/46/09/07/890460907.db2.gz LGVSCDCCWWEWHS-SECBINFHSA-N 0 3 286.332 -1.379 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1ncnn1)C(=O)N(C)C ZINC001420714584 890460916 /nfs/dbraw/zinc/46/09/16/890460916.db2.gz IHHQEGNUKLXFKM-VIFPVBQESA-N 0 3 283.336 -1.802 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cc1ccon1)C(=O)NC(N)=O ZINC001420714410 890460965 /nfs/dbraw/zinc/46/09/65/890460965.db2.gz KWRUFHCVARVTLN-QMMMGPOBSA-N 0 3 297.315 -1.152 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CCN1CCCC1=O ZINC001420744588 890460991 /nfs/dbraw/zinc/46/09/91/890460991.db2.gz PNDLGKKMBDNJLH-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ncccn1)C(=O)NC(N)=O ZINC001420736945 890461101 /nfs/dbraw/zinc/46/11/01/890461101.db2.gz RKBFTBWORUBRGZ-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCNC(N)=O)C(=O)NC1CC1 ZINC001420739330 890461456 /nfs/dbraw/zinc/46/14/56/890461456.db2.gz JXSGOZHIJYEDQM-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cccc(C(N)=O)n1)C(N)=O ZINC001420743550 890461486 /nfs/dbraw/zinc/46/14/86/890461486.db2.gz NGYQRXVUGXGHSY-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)c1ncn(C)n1 ZINC001420719156 890461517 /nfs/dbraw/zinc/46/15/17/890461517.db2.gz WBYRKFQTAVGGHR-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001420727029 890461649 /nfs/dbraw/zinc/46/16/49/890461649.db2.gz LFICMLPKIUBZOZ-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001420726987 890462258 /nfs/dbraw/zinc/46/22/58/890462258.db2.gz OHJJYQVZIYBXMO-DTWKUNHWSA-N 0 3 283.332 -2.054 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001420721488 890462035 /nfs/dbraw/zinc/46/20/35/890462035.db2.gz AYBCTPDQULLVKA-PSASIEDQSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cc1ccon1)C(=O)NC(N)=O ZINC001420714405 890462242 /nfs/dbraw/zinc/46/22/42/890462242.db2.gz KWRUFHCVARVTLN-MRVPVSSYSA-N 0 3 297.315 -1.152 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001420716618 890462398 /nfs/dbraw/zinc/46/23/98/890462398.db2.gz JEPKOWLVHXNSIB-GHMZBOCLSA-N 0 3 296.371 -1.115 20 0 CAADHN Cn1ccc(CC(=O)N[C@@H](CNCC(N)=O)C2CC2)n1 ZINC001420744924 890463823 /nfs/dbraw/zinc/46/38/23/890463823.db2.gz SLTSEBHLROKAPL-NSHDSACASA-N 0 3 279.344 -1.068 20 0 CAADHN O=C(Cn1cncn1)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001420791160 890464067 /nfs/dbraw/zinc/46/40/67/890464067.db2.gz WGRWBKQVLOWVSZ-GHMZBOCLSA-N 0 3 292.343 -1.349 20 0 CAADHN O=C(Cn1cncn1)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001420791162 890464273 /nfs/dbraw/zinc/46/42/73/890464273.db2.gz WGRWBKQVLOWVSZ-MNOVXSKESA-N 0 3 292.343 -1.349 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CCc1cn(C)nn1 ZINC001420746351 890464381 /nfs/dbraw/zinc/46/43/81/890464381.db2.gz NZXVRJWRFFKECH-LLVKDONJSA-N 0 3 294.359 -1.316 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)CCn1cnnn1)C1CC1)C(N)=O ZINC001420788221 890464399 /nfs/dbraw/zinc/46/43/99/890464399.db2.gz IEOTWILMCJYGBL-WCBMZHEXSA-N 0 3 295.347 -1.579 20 0 CAADHN C[C@H](NC[C@H](NC(=O)CCn1cnnn1)C1CC1)C(N)=O ZINC001420788222 890464534 /nfs/dbraw/zinc/46/45/34/890464534.db2.gz IEOTWILMCJYGBL-WPRPVWTQSA-N 0 3 295.347 -1.579 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CN1CCCNC1=O ZINC001420752625 890464665 /nfs/dbraw/zinc/46/46/65/890464665.db2.gz WJMGGCLPNMOOED-SNVBAGLBSA-N 0 3 297.359 -1.662 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001420757580 890464741 /nfs/dbraw/zinc/46/47/41/890464741.db2.gz DIOMORGJUUWNTH-MNOVXSKESA-N 0 3 284.360 -1.129 20 0 CAADHN Cn1ccc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)cc1=O ZINC001420752068 890465180 /nfs/dbraw/zinc/46/51/80/890465180.db2.gz PCBYISBMPJIIIC-NSHDSACASA-N 0 3 292.339 -1.031 20 0 CAADHN O=C(Cn1cncn1)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001420791165 890465469 /nfs/dbraw/zinc/46/54/69/890465469.db2.gz WGRWBKQVLOWVSZ-WDEREUQCSA-N 0 3 292.343 -1.349 20 0 CAADHN NC(=O)C[NH2+]C[C@H](NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001420749303 890465813 /nfs/dbraw/zinc/46/58/13/890465813.db2.gz LXAIZEQPFDMION-VIFPVBQESA-N 0 3 279.300 -1.235 20 0 CAADHN CCCN(C(=O)Cn1cnnn1)[C@@H]1CCN(CCO)C1 ZINC001420806992 890465967 /nfs/dbraw/zinc/46/59/67/890465967.db2.gz AEONUODEKKXFEG-LLVKDONJSA-N 0 3 282.348 -1.022 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)Cn2cnnn2)C1 ZINC001420828956 890469347 /nfs/dbraw/zinc/46/93/47/890469347.db2.gz WUPFYFJJFFGWCB-VHSXEESVSA-N 0 3 295.347 -1.625 20 0 CAADHN CCCN(C)CC(=O)NC[C@H]1CCN1CC(=O)NC(N)=O ZINC001420896134 890471525 /nfs/dbraw/zinc/47/15/25/890471525.db2.gz QCCDZDQZQRKDLK-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN O=C(NC[C@@H](O)Cn1ccnn1)[C@H]1CN2CCN1CCC2 ZINC001420964879 890475076 /nfs/dbraw/zinc/47/50/76/890475076.db2.gz OFZVSCJCIATBEA-VXGBXAGGSA-N 0 3 294.359 -1.855 20 0 CAADHN O=C(NC[C@H](O)Cn1ccnn1)[C@@H]1CN2CCN1CCC2 ZINC001420964877 890475485 /nfs/dbraw/zinc/47/54/85/890475485.db2.gz OFZVSCJCIATBEA-RYUDHWBXSA-N 0 3 294.359 -1.855 20 0 CAADHN Cn1nncc1CNC1(CNC(=O)Cc2nnc[nH]2)CC1 ZINC001420991491 890475614 /nfs/dbraw/zinc/47/56/14/890475614.db2.gz OFTJLEVGMBHZRM-UHFFFAOYSA-N 0 3 290.331 -1.086 20 0 CAADHN CC[C@@H](NC1(CNC(=O)CCNC(=O)NC)CC1)C(N)=O ZINC001420938353 890476220 /nfs/dbraw/zinc/47/62/20/890476220.db2.gz AHRWJBPKTJIDDR-SECBINFHSA-N 0 3 299.375 -1.192 20 0 CAADHN O=C(NCC1(N[C@H]2CCCNC2=O)CC1)[C@H]1COC(=O)N1 ZINC001420934854 890476967 /nfs/dbraw/zinc/47/69/67/890476967.db2.gz ZRWNCNVZQSRHRI-DTWKUNHWSA-N 0 3 296.327 -1.388 20 0 CAADHN O=C(Cc1nc[nH]n1)NCC1(NCC(=O)N2CCC2)CC1 ZINC001420989887 890477524 /nfs/dbraw/zinc/47/75/24/890477524.db2.gz BCVQLCAYFJTDOP-UHFFFAOYSA-N 0 3 292.343 -1.182 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)CCn2cncn2)C1 ZINC001421102395 890484624 /nfs/dbraw/zinc/48/46/24/890484624.db2.gz IJLPCKRTJKKQHI-LBPRGKRZSA-N 0 3 297.359 -1.277 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)Cn2cccn2)C1 ZINC001421105083 890485037 /nfs/dbraw/zinc/48/50/37/890485037.db2.gz QJQFMEZKRJQZSB-LBPRGKRZSA-N 0 3 282.344 -1.062 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)Cn2cccn2)C1 ZINC001421105079 890485386 /nfs/dbraw/zinc/48/53/86/890485386.db2.gz QJQFMEZKRJQZSB-GFCCVEGCSA-N 0 3 282.344 -1.062 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001421112513 890486857 /nfs/dbraw/zinc/48/68/57/890486857.db2.gz OHCWFMOEODTMQM-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001421130971 890487225 /nfs/dbraw/zinc/48/72/25/890487225.db2.gz MBZNHFAMUJOSEB-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001421137678 890487698 /nfs/dbraw/zinc/48/76/98/890487698.db2.gz QVUZTJDXHOIKEM-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)C1CN(C(C)=O)C1 ZINC001421108530 890488062 /nfs/dbraw/zinc/48/80/62/890488062.db2.gz FKUUXNWZIJFLDI-LBPRGKRZSA-N 0 3 296.371 -1.209 20 0 CAADHN CCN1C[C@H](C(=O)N2CCC[C@H]2CNCC(N)=O)CC1=O ZINC001421121830 890488147 /nfs/dbraw/zinc/48/81/47/890488147.db2.gz RMVWASTUFBWOLJ-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001421129856 890488316 /nfs/dbraw/zinc/48/83/16/890488316.db2.gz ZUKAHTNZXLMYGR-WPRPVWTQSA-N 0 3 288.348 -1.902 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001421137680 890488427 /nfs/dbraw/zinc/48/84/27/890488427.db2.gz QVUZTJDXHOIKEM-UWVGGRQHSA-N 0 3 282.344 -1.279 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001421137224 890488602 /nfs/dbraw/zinc/48/86/02/890488602.db2.gz NCNJGBKGAILULA-VIFPVBQESA-N 0 3 296.327 -1.622 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CCNC(=O)NC ZINC001421115712 890488708 /nfs/dbraw/zinc/48/87/08/890488708.db2.gz XEWBAORDZVGUFD-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN O=C(CN1CCOCC1=O)NCC1CN(CCCO)C1 ZINC001421140455 890488874 /nfs/dbraw/zinc/48/88/74/890488874.db2.gz WNSXJTDQVWWRDO-UHFFFAOYSA-N 0 3 285.344 -1.724 20 0 CAADHN CNS(=O)(=O)CCC(=O)NCC1CN(C[C@@H](C)O)C1 ZINC001421124070 890489025 /nfs/dbraw/zinc/48/90/25/890489025.db2.gz CYLJLADHRQDXEN-SECBINFHSA-N 0 3 293.389 -1.646 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001421228901 890492231 /nfs/dbraw/zinc/49/22/31/890492231.db2.gz QLWGBIPQJRCTLA-GRYCIOLGSA-N 0 3 299.371 -1.338 20 0 CAADHN COC[C@H](O)CN1CC[C@](C)(NC(=O)Cn2ncnn2)C1 ZINC001421209733 890492352 /nfs/dbraw/zinc/49/23/52/890492352.db2.gz PVUKQLXRTSJDIC-PWSUYJOCSA-N 0 3 298.347 -1.739 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H]1CCN(C[C@H](C)O)C1 ZINC001421301330 890493898 /nfs/dbraw/zinc/49/38/98/890493898.db2.gz JSKBVKUJXOHICX-VHSXEESVSA-N 0 3 272.349 -1.171 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001421330883 890496092 /nfs/dbraw/zinc/49/60/92/890496092.db2.gz ORFBCASGGOIUEA-GXFFZTMASA-N 0 3 287.360 -1.290 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001421347912 890497362 /nfs/dbraw/zinc/49/73/62/890497362.db2.gz LPFMPZFQSQENJT-BXUZGUMPSA-N 0 3 299.371 -1.336 20 0 CAADHN CC[C@H](C(=O)NC[C@]1(O)CCN(CC(N)=O)C1)N(C)C ZINC001421361528 890497750 /nfs/dbraw/zinc/49/77/50/890497750.db2.gz ODBPHANADIYTKW-ZWNOBZJWSA-N 0 3 286.376 -1.635 20 0 CAADHN Nc1nccnc1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001421339063 890499263 /nfs/dbraw/zinc/49/92/63/890499263.db2.gz KSXYSLNSQATHNW-LBPRGKRZSA-N 0 3 281.316 -1.782 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)C1=CCOCC1 ZINC001421351409 890499534 /nfs/dbraw/zinc/49/95/34/890499534.db2.gz VQAICWMVFQYUJQ-CYBMUJFWSA-N 0 3 270.329 -1.122 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCNC1=O ZINC001421362258 890499613 /nfs/dbraw/zinc/49/96/13/890499613.db2.gz FFRGIAIUVLYGOX-RKDXNWHRSA-N 0 3 281.320 -1.954 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001421347926 890500111 /nfs/dbraw/zinc/50/01/11/890500111.db2.gz LPFMPZFQSQENJT-SMDDNHRTSA-N 0 3 299.371 -1.336 20 0 CAADHN CC[C@@H](CNC(=O)COC)N[C@H](C)C(=O)NC(=O)NC ZINC001421363663 890500291 /nfs/dbraw/zinc/50/02/91/890500291.db2.gz LXFPKYPOXLEOAB-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@H](CNC(=O)COC)N[C@H](C)C(=O)NC(=O)NC ZINC001421363685 890500881 /nfs/dbraw/zinc/50/08/81/890500881.db2.gz LXFPKYPOXLEOAB-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001421350737 890500946 /nfs/dbraw/zinc/50/09/46/890500946.db2.gz SGTBOMREQCBOTH-CABZTGNLSA-N 0 3 288.348 -1.757 20 0 CAADHN Cc1cc(OCC(=O)NC[C@]2(O)CCN(CCO)C2)no1 ZINC001421368885 890502037 /nfs/dbraw/zinc/50/20/37/890502037.db2.gz OYLFLEUXXHFJDW-CYBMUJFWSA-N 0 3 299.327 -1.093 20 0 CAADHN Cn1nnc(C(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001421381729 890502094 /nfs/dbraw/zinc/50/20/94/890502094.db2.gz OLRRIYKZTWNKCQ-SNVBAGLBSA-N 0 3 270.293 -2.631 20 0 CAADHN CC[C@@H](CNC(=O)c1nccnc1N)NCC(=O)NC ZINC001421381698 890502492 /nfs/dbraw/zinc/50/24/92/890502492.db2.gz YWEOPAXVWMTQBO-QMMMGPOBSA-N 0 3 280.332 -1.097 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001421372897 890502977 /nfs/dbraw/zinc/50/29/77/890502977.db2.gz CFOCNNMZEIWPQH-UONOGXRCSA-N 0 3 299.371 -1.146 20 0 CAADHN Cc1cc(OCC(=O)NC[C@@]2(O)CCN(CCO)C2)no1 ZINC001421368890 890503092 /nfs/dbraw/zinc/50/30/92/890503092.db2.gz OYLFLEUXXHFJDW-ZDUSSCGKSA-N 0 3 299.327 -1.093 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001421392037 890503217 /nfs/dbraw/zinc/50/32/17/890503217.db2.gz UJMATKYPWUJNRZ-ZDUSSCGKSA-N 0 3 282.344 -1.263 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1n[nH]cc1F ZINC001421377675 890503910 /nfs/dbraw/zinc/50/39/10/890503910.db2.gz PBEDVPALNXGTNA-NSHDSACASA-N 0 3 272.280 -1.292 20 0 CAADHN O=C(COCC(F)F)NC[C@]1(O)CCN(CCO)C1 ZINC001421386310 890504871 /nfs/dbraw/zinc/50/48/71/890504871.db2.gz XTJJWDCDBJJJSV-LLVKDONJSA-N 0 3 282.287 -1.187 20 0 CAADHN CC[C@H](CNC(=O)c1nccnc1N)NCC(=O)NC ZINC001421381696 890505292 /nfs/dbraw/zinc/50/52/92/890505292.db2.gz YWEOPAXVWMTQBO-MRVPVSSYSA-N 0 3 280.332 -1.097 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@@]2(O)CCN(CCO)C2)[nH]1 ZINC001421375281 890505564 /nfs/dbraw/zinc/50/55/64/890505564.db2.gz OQOSCHHZXRMFLU-ZDUSSCGKSA-N 0 3 296.327 -1.728 20 0 CAADHN CC[C@@H](CNC(=O)CS(C)(=O)=O)N[C@H](C)C(N)=O ZINC001421399295 890506916 /nfs/dbraw/zinc/50/69/16/890506916.db2.gz ZLUVFTQTVXWFIQ-SFYZADRCSA-N 0 3 279.362 -1.611 20 0 CAADHN CC[C@H](CNC(=O)c1cnc2n1CCOC2)NCC(N)=O ZINC001421413383 890506940 /nfs/dbraw/zinc/50/69/40/890506940.db2.gz JZGLLTAWRMKAPJ-SECBINFHSA-N 0 3 295.343 -1.003 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)NC ZINC001421406328 890507746 /nfs/dbraw/zinc/50/77/46/890507746.db2.gz LPFIIMKWYHRWDA-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)NCC(=O)N(C)C ZINC001421406928 890508478 /nfs/dbraw/zinc/50/84/78/890508478.db2.gz RKYKLMHJVBMEBW-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)NCC(=O)NC(C)C ZINC001421427103 890509876 /nfs/dbraw/zinc/50/98/76/890509876.db2.gz UUMDMZAFGOXWQP-JTQLQIEISA-N 0 3 297.363 -1.318 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)NCC(=O)NC(C)C ZINC001421427107 890511394 /nfs/dbraw/zinc/51/13/94/890511394.db2.gz UUMDMZAFGOXWQP-SNVBAGLBSA-N 0 3 297.363 -1.318 20 0 CAADHN CC[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)NCC(N)=O ZINC001421416164 890511917 /nfs/dbraw/zinc/51/19/17/890511917.db2.gz DMKFZWNKONEJJT-NOZJJQNGSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001421550516 890516523 /nfs/dbraw/zinc/51/65/23/890516523.db2.gz BACBIUKGLBBJEN-LKFCYVNXSA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2COC(=O)N2)CCCC1 ZINC001421495418 890516774 /nfs/dbraw/zinc/51/67/74/890516774.db2.gz KZHPLCHVHNDQNN-MRVPVSSYSA-N 0 3 284.316 -1.401 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(O)CN(CCCO)C1 ZINC001421507003 890517173 /nfs/dbraw/zinc/51/71/73/890517173.db2.gz YOCVWGJNPYFXJN-UHFFFAOYSA-N 0 3 273.377 -1.128 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@@H]2COC(=O)N2)CCCC1 ZINC001421495422 890517407 /nfs/dbraw/zinc/51/74/07/890517407.db2.gz KZHPLCHVHNDQNN-QMMMGPOBSA-N 0 3 284.316 -1.401 20 0 CAADHN CN1C[C@@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)NC1=O ZINC001421571867 890517672 /nfs/dbraw/zinc/51/76/72/890517672.db2.gz ZMOUNENOHLEDMD-TVQRCGJNSA-N 0 3 297.359 -1.630 20 0 CAADHN CNC(=O)CN1CC(O)(CNC(=O)CN(C)C(C)C)C1 ZINC001421501401 890517710 /nfs/dbraw/zinc/51/77/10/890517710.db2.gz GNEPHEFRNMOWNR-UHFFFAOYSA-N 0 3 286.376 -1.765 20 0 CAADHN NC(=O)CNCC1(NC(=O)CN2CCOCC2)CCCC1 ZINC001421500719 890517830 /nfs/dbraw/zinc/51/78/30/890517830.db2.gz CGMIBRWWAWZONK-UHFFFAOYSA-N 0 3 298.387 -1.178 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCCN1C(C)=O)NCC(N)=O ZINC001421503624 890518016 /nfs/dbraw/zinc/51/80/16/890518016.db2.gz UQYYOTIRIYBCHM-WDEREUQCSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001421552435 890518137 /nfs/dbraw/zinc/51/81/37/890518137.db2.gz GLVFIDGDYPLCKT-PRHODGIISA-N 0 3 284.316 -1.545 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001421550529 890518329 /nfs/dbraw/zinc/51/83/29/890518329.db2.gz BACBIUKGLBBJEN-XPTSAGLGSA-N 0 3 296.371 -1.128 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001421503093 890518521 /nfs/dbraw/zinc/51/85/21/890518521.db2.gz LPODWHLNHWHEQB-UHFFFAOYSA-N 0 3 272.349 -2.025 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@]12C[C@H]1COC2)C(N)=O ZINC001421633269 890519646 /nfs/dbraw/zinc/51/96/46/890519646.db2.gz FQLDEZZSHAIRFO-KWBADKCTSA-N 0 3 285.344 -1.693 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(N)=O ZINC001421634171 890520267 /nfs/dbraw/zinc/52/02/67/890520267.db2.gz KNPHXYGHZPXBQL-KKOKHZNYSA-N 0 3 299.371 -1.162 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001421633263 890520323 /nfs/dbraw/zinc/52/03/23/890520323.db2.gz FKOHCVJNQJAKMB-RKDXNWHRSA-N 0 3 286.332 -2.451 20 0 CAADHN Cc1nc(C)c(C(=O)N(CCO)CCN[C@H](C)C(N)=O)[nH]1 ZINC001421632623 890520462 /nfs/dbraw/zinc/52/04/62/890520462.db2.gz DTPVIFPRTDJMGT-SECBINFHSA-N 0 3 297.359 -1.076 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)Cn1cncn1)C1CC1 ZINC001421579066 890520507 /nfs/dbraw/zinc/52/05/07/890520507.db2.gz AAEUYRQJYYCXRE-ZDUSSCGKSA-N 0 3 294.359 -1.101 20 0 CAADHN CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001421626933 890520569 /nfs/dbraw/zinc/52/05/69/890520569.db2.gz RNVXKYKBQGCTQZ-TVQRCGJNSA-N 0 3 298.343 -1.453 20 0 CAADHN CC(=O)NCC(=O)N[C@]1(CO)CCCN(CCCO)C1 ZINC001421588979 890521039 /nfs/dbraw/zinc/52/10/39/890521039.db2.gz GIVWIRSZYFNAKW-CYBMUJFWSA-N 0 3 287.360 -1.552 20 0 CAADHN Cc1c[nH]nc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001421638184 890521671 /nfs/dbraw/zinc/52/16/71/890521671.db2.gz SXGYTRPISANXRS-JTQLQIEISA-N 0 3 295.343 -1.369 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)on1 ZINC001421639112 890521848 /nfs/dbraw/zinc/52/18/48/890521848.db2.gz JIUYCDSQWROIOI-VIFPVBQESA-N 0 3 284.316 -1.119 20 0 CAADHN C[C@@H](O)CN1CCC[C@@](CO)(NC(=O)c2nnc[nH]2)C1 ZINC001421611849 890522250 /nfs/dbraw/zinc/52/22/50/890522250.db2.gz ISHPIWFWDJMPJE-BXKDBHETSA-N 0 3 283.332 -1.258 20 0 CAADHN O=C(c1cocn1)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001421633613 890522634 /nfs/dbraw/zinc/52/26/34/890522634.db2.gz GPHRRJWCFZLPNN-SNVBAGLBSA-N 0 3 296.327 -1.023 20 0 CAADHN CC(=O)NCC(=O)N[C@@]1(CO)CCCN(CCCO)C1 ZINC001421588988 890522851 /nfs/dbraw/zinc/52/28/51/890522851.db2.gz GIVWIRSZYFNAKW-ZDUSSCGKSA-N 0 3 287.360 -1.552 20 0 CAADHN O=C(c1ccon1)N(CCO)CCN[C@H]1CCCNC1=O ZINC001421642780 890524299 /nfs/dbraw/zinc/52/42/99/890524299.db2.gz OVCOMOLBBRVWAY-JTQLQIEISA-N 0 3 296.327 -1.023 20 0 CAADHN CCO[C@@H](C)C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001421642525 890524453 /nfs/dbraw/zinc/52/44/53/890524453.db2.gz OCDDILHCWOLGSM-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(c1cnco1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001421644684 890525096 /nfs/dbraw/zinc/52/50/96/890525096.db2.gz XTGAJLAFLYPDNV-SECBINFHSA-N 0 3 282.300 -1.413 20 0 CAADHN O=C(c1ccon1)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001421642787 890525202 /nfs/dbraw/zinc/52/52/02/890525202.db2.gz OVCOMOLBBRVWAY-SNVBAGLBSA-N 0 3 296.327 -1.023 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C[C@H]1CCOC1)C(N)=O ZINC001421639621 890525382 /nfs/dbraw/zinc/52/53/82/890525382.db2.gz XJYUOIOUVLGGOG-WDEREUQCSA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001421668293 890525750 /nfs/dbraw/zinc/52/57/50/890525750.db2.gz XNWXXVNINIRBGB-MXWKQRLJSA-N 0 3 296.371 -1.020 20 0 CAADHN NC(=O)CNC1(CNC(=O)C[C@@H]2CCC(=O)N2)CCC1 ZINC001421771152 890530895 /nfs/dbraw/zinc/53/08/95/890530895.db2.gz BBXMUXUPTUKQBV-VIFPVBQESA-N 0 3 282.344 -1.231 20 0 CAADHN CCN(C)C(=O)CNC[C@@H]1CN(C(=O)COC)CCO1 ZINC001421790295 890531051 /nfs/dbraw/zinc/53/10/51/890531051.db2.gz XAIPBUOKOYRJQP-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN C[C@H](C(=O)N1CCO[C@@H](CNCC(N)=O)C1)n1cncn1 ZINC001421788552 890531332 /nfs/dbraw/zinc/53/13/32/890531332.db2.gz DWEDIUZMZDTICK-ZJUUUORDSA-N 0 3 296.331 -1.859 20 0 CAADHN Cc1nnsc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001421785663 890531586 /nfs/dbraw/zinc/53/15/86/890531586.db2.gz LNUONQVJVLBZFG-MRVPVSSYSA-N 0 3 299.356 -1.238 20 0 CAADHN CCC(=O)N1CCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001421782461 890531611 /nfs/dbraw/zinc/53/16/11/890531611.db2.gz BZFTUQXATASKCV-MRVPVSSYSA-N 0 3 272.305 -1.592 20 0 CAADHN C[C@H](C(=O)NCC1(NCC(N)=O)CCC1)n1cncn1 ZINC001421735654 890531656 /nfs/dbraw/zinc/53/16/56/890531656.db2.gz HTPPRAICFPLMJI-SECBINFHSA-N 0 3 280.332 -1.047 20 0 CAADHN Cc1nc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)co1 ZINC001421786490 890531833 /nfs/dbraw/zinc/53/18/33/890531833.db2.gz BAQDNBJAGHPHRZ-SECBINFHSA-N 0 3 282.300 -1.101 20 0 CAADHN Cc1ccc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)nn1 ZINC001421790256 890531878 /nfs/dbraw/zinc/53/18/78/890531878.db2.gz IAKFNNCJWISCBZ-JTQLQIEISA-N 0 3 293.327 -1.299 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CN2CCCC2=O)CCO1 ZINC001421788471 890531954 /nfs/dbraw/zinc/53/19/54/890531954.db2.gz RTWMBQALTKOWNX-JTQLQIEISA-N 0 3 298.343 -2.089 20 0 CAADHN CNC(=O)CNC1(CNC(=O)c2ncn(C)n2)CCC1 ZINC001421742087 890532077 /nfs/dbraw/zinc/53/20/77/890532077.db2.gz SVLGHMCLTFVVMU-UHFFFAOYSA-N 0 3 280.332 -1.197 20 0 CAADHN C[C@H](C(=O)N1CCO[C@H](CNCC(N)=O)C1)n1cncn1 ZINC001421788539 890532106 /nfs/dbraw/zinc/53/21/06/890532106.db2.gz DWEDIUZMZDTICK-NXEZZACHSA-N 0 3 296.331 -1.859 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CCC(=O)NC2)CCC1 ZINC001421751567 890532474 /nfs/dbraw/zinc/53/24/74/890532474.db2.gz YMEMOWUAPJDTFM-SNVBAGLBSA-N 0 3 296.371 -1.113 20 0 CAADHN Cc1nnsc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001421785671 890532508 /nfs/dbraw/zinc/53/25/08/890532508.db2.gz LNUONQVJVLBZFG-QMMMGPOBSA-N 0 3 299.356 -1.238 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1)C(N)=O ZINC001421819145 890534557 /nfs/dbraw/zinc/53/45/57/890534557.db2.gz JXHOUENXGSTBTK-JGVFFNPUSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)CCO1)C(N)=O ZINC001421819145 890534566 /nfs/dbraw/zinc/53/45/66/890534566.db2.gz JXHOUENXGSTBTK-JGVFFNPUSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1)C(N)=O ZINC001421825743 890534649 /nfs/dbraw/zinc/53/46/49/890534649.db2.gz RMOJHFWJTZHIGF-KOLCDFICSA-N 0 3 295.343 -1.357 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1)C(N)=O ZINC001421819134 890534798 /nfs/dbraw/zinc/53/47/98/890534798.db2.gz JXHOUENXGSTBTK-HTQZYQBOSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)CCO1)C(N)=O ZINC001421819134 890534802 /nfs/dbraw/zinc/53/48/02/890534802.db2.gz JXHOUENXGSTBTK-HTQZYQBOSA-N 0 3 282.304 -1.891 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001421804527 890534864 /nfs/dbraw/zinc/53/48/64/890534864.db2.gz OWHPLYWCWUUAJL-SNVBAGLBSA-N 0 3 279.300 -1.608 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001421809863 890535353 /nfs/dbraw/zinc/53/53/53/890535353.db2.gz YGQFZLINABHONQ-LLVKDONJSA-N 0 3 295.343 -1.072 20 0 CAADHN CCO[C@@H](C)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001421809621 890536218 /nfs/dbraw/zinc/53/62/18/890536218.db2.gz XEQKOURLRWYBFB-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1)C(N)=O ZINC001421796406 890535819 /nfs/dbraw/zinc/53/58/19/890535819.db2.gz GHAVYZXHFBAHFX-IUCAKERBSA-N 0 3 281.316 -1.286 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2nccnc2N)CCO1 ZINC001421804253 890535862 /nfs/dbraw/zinc/53/58/62/890535862.db2.gz PCWUXLZMGNQOOK-QMMMGPOBSA-N 0 3 294.315 -2.025 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001421804010 890535930 /nfs/dbraw/zinc/53/59/30/890535930.db2.gz OFKOFFYJWLNJER-JTQLQIEISA-N 0 3 298.343 -2.185 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CNC(=O)C2CC2)CCO1 ZINC001421804013 890536004 /nfs/dbraw/zinc/53/60/04/890536004.db2.gz OFKOFFYJWLNJER-SNVBAGLBSA-N 0 3 298.343 -2.185 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001421810273 890536501 /nfs/dbraw/zinc/53/65/01/890536501.db2.gz QINCFCXDWZNQNR-KXUCPTDWSA-N 0 3 298.343 -1.346 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)Cn2ccnc2)CCO1)C(N)=O ZINC001421825126 890536602 /nfs/dbraw/zinc/53/66/02/890536602.db2.gz JRPMDCKZNMDRRO-WDEREUQCSA-N 0 3 295.343 -1.426 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2ccon2)CCO1 ZINC001421809711 890536768 /nfs/dbraw/zinc/53/67/68/890536768.db2.gz XQAIQXQCOKYYQV-SECBINFHSA-N 0 3 282.300 -1.149 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1)C(N)=O ZINC001421796385 890536995 /nfs/dbraw/zinc/53/69/95/890536995.db2.gz GHAVYZXHFBAHFX-DTWKUNHWSA-N 0 3 281.316 -1.286 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H](C)NC(N)=O ZINC001421891812 890538058 /nfs/dbraw/zinc/53/80/58/890538058.db2.gz KXFNHSQFCPTSMB-BDAKNGLRSA-N 0 3 287.364 -1.432 20 0 CAADHN CC[C@H](NC[C@@H](C)N(C)C(=O)Cn1cnnn1)C(N)=O ZINC001421871577 890538249 /nfs/dbraw/zinc/53/82/49/890538249.db2.gz LSLUYJIRIAYNCZ-BDAKNGLRSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)Cn1ncnn1 ZINC001421909660 890538390 /nfs/dbraw/zinc/53/83/90/890538390.db2.gz XLDQTCIIJCVHTN-SECBINFHSA-N 0 3 283.336 -1.802 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H](C)NC(N)=O ZINC001421896553 890538424 /nfs/dbraw/zinc/53/84/24/890538424.db2.gz KXMJDOFJWRRZEZ-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)Cn1cnnn1)C(=O)N(C)C ZINC001421878531 890538587 /nfs/dbraw/zinc/53/85/87/890538587.db2.gz WBDDHBSPKFETPR-VHSXEESVSA-N 0 3 297.363 -1.414 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CN1CCOCC1 ZINC001421885376 890538671 /nfs/dbraw/zinc/53/86/71/890538671.db2.gz HLWOHNKNBQXJCU-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)c1cc[nH]n1 ZINC001421889527 890538932 /nfs/dbraw/zinc/53/89/32/890538932.db2.gz ZFRBVZGEIBUFCV-MRVPVSSYSA-N 0 3 296.331 -1.085 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H](C)NC(N)=O ZINC001421891813 890539030 /nfs/dbraw/zinc/53/90/30/890539030.db2.gz KXFNHSQFCPTSMB-IUCAKERBSA-N 0 3 287.364 -1.432 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)Cn1cnnn1 ZINC001421878528 890539132 /nfs/dbraw/zinc/53/91/32/890539132.db2.gz WBDDHBSPKFETPR-UWVGGRQHSA-N 0 3 297.363 -1.414 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ncn(C)n1 ZINC001421873582 890539251 /nfs/dbraw/zinc/53/92/51/890539251.db2.gz CWJHZHFOADQNJR-SSDOTTSWSA-N 0 3 297.319 -1.940 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001421886853 890539604 /nfs/dbraw/zinc/53/96/04/890539604.db2.gz HOOFCVMKXNYBNM-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1cn(C)nn1 ZINC001421878110 890539736 /nfs/dbraw/zinc/53/97/36/890539736.db2.gz QPOWBHDFHQPRNI-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CN1CCOCC1 ZINC001421885361 890539960 /nfs/dbraw/zinc/53/99/60/890539960.db2.gz HLWOHNKNBQXJCU-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cn1cccn1 ZINC001421871354 890540324 /nfs/dbraw/zinc/54/03/24/890540324.db2.gz LERVDZDBKBCLJQ-SECBINFHSA-N 0 3 296.331 -1.486 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H](C)NC(N)=O ZINC001421896548 890540350 /nfs/dbraw/zinc/54/03/50/890540350.db2.gz KXMJDOFJWRRZEZ-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)NC ZINC001421890042 890540487 /nfs/dbraw/zinc/54/04/87/890540487.db2.gz NYOWSHSDVWHCPC-RKDXNWHRSA-N 0 3 287.364 -1.514 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)Cn1cnnn1 ZINC001421878535 890540559 /nfs/dbraw/zinc/54/05/59/890540559.db2.gz WBDDHBSPKFETPR-ZJUUUORDSA-N 0 3 297.363 -1.414 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cn1cccn1 ZINC001421871359 890540578 /nfs/dbraw/zinc/54/05/78/890540578.db2.gz LERVDZDBKBCLJQ-VIFPVBQESA-N 0 3 296.331 -1.486 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001421894964 890540590 /nfs/dbraw/zinc/54/05/90/890540590.db2.gz ZNITUPCMRJHDJV-MRVPVSSYSA-N 0 3 291.373 -1.787 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001421885234 890540618 /nfs/dbraw/zinc/54/06/18/890540618.db2.gz JFIASOQAURADTD-HTQZYQBOSA-N 0 3 272.305 -1.723 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001421877772 890540733 /nfs/dbraw/zinc/54/07/33/890540733.db2.gz PUVRYYCEEHPRMV-WCBMZHEXSA-N 0 3 288.348 -1.365 20 0 CAADHN CCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001421949525 890541867 /nfs/dbraw/zinc/54/18/67/890541867.db2.gz UFKHMNGDHOIIAC-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)c1nnn(C)n1 ZINC001421938393 890542112 /nfs/dbraw/zinc/54/21/12/890542112.db2.gz KAMARIRZZSEERD-DTWKUNHWSA-N 0 3 295.347 -1.509 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001421937067 890543054 /nfs/dbraw/zinc/54/30/54/890543054.db2.gz ZXPCBJWPLUMMKF-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN COc1c[nH]c(C(=O)N(C)[C@H](C)CNCC(N)=O)cc1=O ZINC001421921272 890543579 /nfs/dbraw/zinc/54/35/79/890543579.db2.gz FONVZGSQHVVNAJ-MRVPVSSYSA-N 0 3 296.327 -1.081 20 0 CAADHN CS(=O)(=O)N1CC(CN2[C@H](CO)CC[C@H]2CO)C1 ZINC001421962300 890543653 /nfs/dbraw/zinc/54/36/53/890543653.db2.gz AVOVMKBLNLBUHX-QWRGUYRKSA-N 0 3 278.374 -1.305 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001421945040 890543709 /nfs/dbraw/zinc/54/37/09/890543709.db2.gz OIHYZYFMQXBQMA-IEBDPFPHSA-N 0 3 296.371 -1.177 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001421942342 890543891 /nfs/dbraw/zinc/54/38/91/890543891.db2.gz QUVPVKCQBLSRJE-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCCn1cncn1 ZINC001421976440 890544396 /nfs/dbraw/zinc/54/43/96/890544396.db2.gz XIWSYDGNCSTPIT-JTQLQIEISA-N 0 3 282.348 -1.020 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001421949528 890544478 /nfs/dbraw/zinc/54/44/78/890544478.db2.gz UFKHMNGDHOIIAC-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)Cn1cncn1 ZINC001422001839 890546035 /nfs/dbraw/zinc/54/60/35/890546035.db2.gz ZZDYYJLUNXFHPF-VHSXEESVSA-N 0 3 280.332 -1.397 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)N(C)C(=O)Cn1cncn1 ZINC001421994432 890546608 /nfs/dbraw/zinc/54/66/08/890546608.db2.gz QXPDQGMTLMPXHE-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C ZINC001422040501 890546645 /nfs/dbraw/zinc/54/66/45/890546645.db2.gz ABLMDTWDFRSFTN-VHSXEESVSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)Cn1cncn1 ZINC001421994429 890546693 /nfs/dbraw/zinc/54/66/93/890546693.db2.gz QXPDQGMTLMPXHE-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)Cn1cncn1 ZINC001422000704 890547002 /nfs/dbraw/zinc/54/70/02/890547002.db2.gz YFNAXWVXLKQNLF-MNOVXSKESA-N 0 3 294.359 -1.055 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001422040504 890547017 /nfs/dbraw/zinc/54/70/17/890547017.db2.gz ABLMDTWDFRSFTN-ZJUUUORDSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)Cn1cncn1 ZINC001422000701 890547757 /nfs/dbraw/zinc/54/77/57/890547757.db2.gz YFNAXWVXLKQNLF-GHMZBOCLSA-N 0 3 294.359 -1.055 20 0 CAADHN CN(C)S(=O)(=O)CCN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422050930 890547813 /nfs/dbraw/zinc/54/78/13/890547813.db2.gz PFMDITYHRFERFI-HTQZYQBOSA-N 0 3 292.361 -2.604 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)Cn1cncn1 ZINC001422001832 890547919 /nfs/dbraw/zinc/54/79/19/890547919.db2.gz ZZDYYJLUNXFHPF-UWVGGRQHSA-N 0 3 280.332 -1.397 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)CCNC(N)=O ZINC001421997843 890548034 /nfs/dbraw/zinc/54/80/34/890548034.db2.gz USERRUATEQVTSA-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN C[C@H]1CN(C(=O)c2ccon2)C[C@@H]1NCC(=O)NC(N)=O ZINC001422036036 890548219 /nfs/dbraw/zinc/54/82/19/890548219.db2.gz VKNBWQLNGLIXFQ-CBAPKCEASA-N 0 3 295.299 -1.080 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)Cn1cncn1 ZINC001422000707 890548288 /nfs/dbraw/zinc/54/82/88/890548288.db2.gz YFNAXWVXLKQNLF-QWRGUYRKSA-N 0 3 294.359 -1.055 20 0 CAADHN C[C@@H]1OCC[C@H]1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001422104721 890549307 /nfs/dbraw/zinc/54/93/07/890549307.db2.gz WDYYHRQPNACZNY-WDEREUQCSA-N 0 3 299.371 -1.160 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](NCC(N)=O)C(C)C ZINC001422087596 890549325 /nfs/dbraw/zinc/54/93/25/890549325.db2.gz ITLAVUKWNIIZTH-VIFPVBQESA-N 0 3 272.349 -1.272 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](NCC(N)=O)C(C)C ZINC001422069414 890549362 /nfs/dbraw/zinc/54/93/62/890549362.db2.gz GLDUZHBQPBOMDO-WCBMZHEXSA-N 0 3 272.349 -1.273 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C(C)C ZINC001422109040 890549380 /nfs/dbraw/zinc/54/93/80/890549380.db2.gz NVBRNHRQWAABQW-UTLUCORTSA-N 0 3 284.360 -1.416 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(N)=O ZINC001422129028 890549437 /nfs/dbraw/zinc/54/94/37/890549437.db2.gz CGBVKYCEOULPPC-IUCAKERBSA-N 0 3 270.333 -1.519 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(N)=O ZINC001422129023 890549645 /nfs/dbraw/zinc/54/96/45/890549645.db2.gz CGBVKYCEOULPPC-DTWKUNHWSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@H](NCC1(O)CCN(C(=O)[C@H]2CCCO2)CC1)C(N)=O ZINC001422092407 890549712 /nfs/dbraw/zinc/54/97/12/890549712.db2.gz HMLJNXFAAHPUCG-WDEREUQCSA-N 0 3 299.371 -1.018 20 0 CAADHN Cn1nncc1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001422106657 890549785 /nfs/dbraw/zinc/54/97/85/890549785.db2.gz ZCAPSUUDFSZKQD-UHFFFAOYSA-N 0 3 296.331 -2.143 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](NCC(N)=O)C(C)C ZINC001422083583 890550423 /nfs/dbraw/zinc/55/04/23/890550423.db2.gz RPSYDFGYBMJWRR-VIFPVBQESA-N 0 3 287.364 -1.479 20 0 CAADHN C[C@H]1OCC[C@H]1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001422104660 890550826 /nfs/dbraw/zinc/55/08/26/890550826.db2.gz WDYYHRQPNACZNY-GHMZBOCLSA-N 0 3 299.371 -1.160 20 0 CAADHN C[C@@H]1OCC[C@@H]1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001422104717 890551109 /nfs/dbraw/zinc/55/11/09/890551109.db2.gz WDYYHRQPNACZNY-QWRGUYRKSA-N 0 3 299.371 -1.160 20 0 CAADHN CC(C)[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NCC(N)=O ZINC001422138939 890551189 /nfs/dbraw/zinc/55/11/89/890551189.db2.gz UFYMHCKXOXONKS-SECBINFHSA-N 0 3 297.359 -1.447 20 0 CAADHN C[C@]1(C(=O)N2CCC(O)(CNCC(N)=O)CC2)CCOC1 ZINC001422102970 890551365 /nfs/dbraw/zinc/55/13/65/890551365.db2.gz OJYHXGXMTGHHDK-ZDUSSCGKSA-N 0 3 299.371 -1.159 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C(C)C ZINC001422109037 890551378 /nfs/dbraw/zinc/55/13/78/890551378.db2.gz NVBRNHRQWAABQW-KXUCPTDWSA-N 0 3 284.360 -1.416 20 0 CAADHN C[C@H](NCC1(O)CCN(C(=O)[C@@H]2CCCO2)CC1)C(N)=O ZINC001422092404 890551532 /nfs/dbraw/zinc/55/15/32/890551532.db2.gz HMLJNXFAAHPUCG-QWRGUYRKSA-N 0 3 299.371 -1.018 20 0 CAADHN C[C@H]1OCC[C@@H]1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001422104711 890551550 /nfs/dbraw/zinc/55/15/50/890551550.db2.gz WDYYHRQPNACZNY-MNOVXSKESA-N 0 3 299.371 -1.160 20 0 CAADHN CNC(=O)NCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001422187530 890553209 /nfs/dbraw/zinc/55/32/09/890553209.db2.gz FNDQOCLBVKLXMP-UHFFFAOYSA-N 0 3 288.348 -2.149 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001422355663 890580472 /nfs/dbraw/zinc/58/04/72/890580472.db2.gz OITDFRPKGHBHSG-SFYZADRCSA-N 0 3 294.377 -2.154 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001422360572 890584133 /nfs/dbraw/zinc/58/41/33/890584133.db2.gz SHTRPERJALLYQZ-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001422180871 890554968 /nfs/dbraw/zinc/55/49/68/890554968.db2.gz AOKMOEBNSNSACN-NSHDSACASA-N 0 3 299.375 -1.257 20 0 CAADHN CNC(=O)NC(=O)CCN1CC[C@](O)(C(=O)OC)C1 ZINC001422177165 890555222 /nfs/dbraw/zinc/55/52/22/890555222.db2.gz SJTFISUJYGTHQL-LLVKDONJSA-N 0 3 273.289 -1.558 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H](C)CN(C)CCO ZINC001422838314 890617230 /nfs/dbraw/zinc/61/72/30/890617230.db2.gz ZDYRHQYKMIVYLS-SECBINFHSA-N 0 3 281.378 -1.646 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@H]1COC(=O)N1 ZINC001422199026 890555414 /nfs/dbraw/zinc/55/54/14/890555414.db2.gz QTGCYHQNDORZBE-SECBINFHSA-N 0 3 287.316 -1.970 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CC1CCOCC1)C(N)=O ZINC001422264207 890556613 /nfs/dbraw/zinc/55/66/13/890556613.db2.gz JYWUSGLAVAPYHM-KOLCDFICSA-N 0 3 287.360 -1.256 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnn(CC)c1 ZINC001422261197 890557856 /nfs/dbraw/zinc/55/78/56/890557856.db2.gz ANHVPOQYWSNVIP-NSHDSACASA-N 0 3 297.359 -1.281 20 0 CAADHN CN(CCO)C[C@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001422222804 890557997 /nfs/dbraw/zinc/55/79/97/890557997.db2.gz BZIIKAHGGCSGPM-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CC1CCOCC1)C(N)=O ZINC001422264205 890558563 /nfs/dbraw/zinc/55/85/63/890558563.db2.gz JYWUSGLAVAPYHM-GXSJLCMTSA-N 0 3 287.360 -1.256 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC)cn1 ZINC001422262428 890558713 /nfs/dbraw/zinc/55/87/13/890558713.db2.gz FNSCJRUCXRAOQQ-KOLCDFICSA-N 0 3 297.359 -1.282 20 0 CAADHN COCCN(C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001422228825 890558734 /nfs/dbraw/zinc/55/87/34/890558734.db2.gz DAFYUCQFGMIBLN-JTQLQIEISA-N 0 3 293.389 -1.285 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)cn1 ZINC001422262670 890559249 /nfs/dbraw/zinc/55/92/49/890559249.db2.gz DDRPPVXDKSRQIR-VHSXEESVSA-N 0 3 281.316 -2.011 20 0 CAADHN O=C(Cc1cc[nH]n1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001422271629 890560854 /nfs/dbraw/zinc/56/08/54/890560854.db2.gz IHFQBLGWGNRRCQ-LLVKDONJSA-N 0 3 295.343 -1.749 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001422270450 890560899 /nfs/dbraw/zinc/56/08/99/890560899.db2.gz XZBIGHLVRYNGEF-VIFPVBQESA-N 0 3 299.335 -2.782 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1cocn1 ZINC001422267393 890560952 /nfs/dbraw/zinc/56/09/52/890560952.db2.gz RMYNFCKFWWPSFP-DTWKUNHWSA-N 0 3 282.300 -1.367 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1cocn1 ZINC001422267387 890561258 /nfs/dbraw/zinc/56/12/58/890561258.db2.gz RMYNFCKFWWPSFP-BDAKNGLRSA-N 0 3 282.300 -1.367 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)NC[C@@H]1CCCO1 ZINC001422272608 890561418 /nfs/dbraw/zinc/56/14/18/890561418.db2.gz ODRPCQWUAWUZPI-MNOVXSKESA-N 0 3 273.333 -1.632 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCO1 ZINC001422270695 890561701 /nfs/dbraw/zinc/56/17/01/890561701.db2.gz FYRAQHXJYJQULK-GHMZBOCLSA-N 0 3 287.360 -1.243 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)cn1 ZINC001422267431 890562267 /nfs/dbraw/zinc/56/22/67/890562267.db2.gz RIAMGYOHVORQRB-NSHDSACASA-N 0 3 295.343 -1.667 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001422270502 890562728 /nfs/dbraw/zinc/56/27/28/890562728.db2.gz FMINXUZVBKFUNE-QMMMGPOBSA-N 0 3 285.308 -3.172 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ocnc1C ZINC001422269044 890562880 /nfs/dbraw/zinc/56/28/80/890562880.db2.gz CEODKMIWYWRBHY-SECBINFHSA-N 0 3 284.316 -1.201 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cc(C)on1 ZINC001422265429 890562938 /nfs/dbraw/zinc/56/29/38/890562938.db2.gz MJSSWXVYTNVXIH-JTQLQIEISA-N 0 3 284.316 -1.662 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cc(C)on1 ZINC001422265431 890563018 /nfs/dbraw/zinc/56/30/18/890563018.db2.gz MJSSWXVYTNVXIH-SNVBAGLBSA-N 0 3 284.316 -1.662 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)Cn1cccn1 ZINC001422268473 890563311 /nfs/dbraw/zinc/56/33/11/890563311.db2.gz UDQDDCBVIHMOFJ-NSHDSACASA-N 0 3 297.359 -1.572 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cocn1 ZINC001422268818 890563640 /nfs/dbraw/zinc/56/36/40/890563640.db2.gz VKJFVCRXJIQQIR-VIFPVBQESA-N 0 3 284.316 -1.121 20 0 CAADHN O=C(COCC1CC1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001422280519 890564482 /nfs/dbraw/zinc/56/44/82/890564482.db2.gz BXJPHEOWYXPIGI-VXGBXAGGSA-N 0 3 299.371 -1.242 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)n1cccc1 ZINC001422282616 890564502 /nfs/dbraw/zinc/56/45/02/890564502.db2.gz OKPAEMQNNDAVBN-QWRGUYRKSA-N 0 3 282.344 -1.138 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccn[nH]1)C(=O)NC1CC1 ZINC001422282394 890564711 /nfs/dbraw/zinc/56/47/11/890564711.db2.gz DGFRIESSELGWPF-WCBMZHEXSA-N 0 3 295.343 -1.243 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)c1ccon1)C1CC1 ZINC001422284201 890564752 /nfs/dbraw/zinc/56/47/52/890564752.db2.gz FHJSENSKVKKLEM-SNVBAGLBSA-N 0 3 296.327 -1.024 20 0 CAADHN Cc1ccncc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001422281294 890564790 /nfs/dbraw/zinc/56/47/90/890564790.db2.gz YRIPJTWHZCFTAC-ZYHUDNBSSA-N 0 3 292.339 -1.041 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cn[nH]c1)NCC1CC1 ZINC001422280468 890565074 /nfs/dbraw/zinc/56/50/74/890565074.db2.gz BQFLBCGRRGJVNR-NSHDSACASA-N 0 3 295.343 -1.384 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC001422284049 890565313 /nfs/dbraw/zinc/56/53/13/890565313.db2.gz PXTOASMHIVCQQA-UWVGGRQHSA-N 0 3 273.333 -1.632 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cc(C)on1)C(N)=O ZINC001422281308 890565545 /nfs/dbraw/zinc/56/55/45/890565545.db2.gz RDGUVZGLTVZUSH-DTWKUNHWSA-N 0 3 284.316 -1.073 20 0 CAADHN O=C(COCC1CC1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001422280513 890565566 /nfs/dbraw/zinc/56/55/66/890565566.db2.gz BXJPHEOWYXPIGI-NWDGAFQWSA-N 0 3 299.371 -1.242 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001422280856 890565580 /nfs/dbraw/zinc/56/55/80/890565580.db2.gz QJCBESMPFJRCGQ-VIFPVBQESA-N 0 3 299.335 -2.736 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001422278604 890565630 /nfs/dbraw/zinc/56/56/30/890565630.db2.gz LIBLZHXFEVUQSQ-UWVGGRQHSA-N 0 3 286.332 -2.580 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)c1ccon1)C1CC1 ZINC001422284200 890565673 /nfs/dbraw/zinc/56/56/73/890565673.db2.gz FHJSENSKVKKLEM-JTQLQIEISA-N 0 3 296.327 -1.024 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001422285911 890565722 /nfs/dbraw/zinc/56/57/22/890565722.db2.gz VWNYQRJHGMUBLW-JGVFFNPUSA-N 0 3 297.315 -2.003 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cn[nH]c1)C(=O)N(C)C ZINC001422285987 890565801 /nfs/dbraw/zinc/56/58/01/890565801.db2.gz HAMFHTVPXGACNS-WPRPVWTQSA-N 0 3 283.332 -1.433 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001422277339 890565982 /nfs/dbraw/zinc/56/59/82/890565982.db2.gz AAJPRFCJFLTVKE-SCZZXKLOSA-N 0 3 296.327 -1.398 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cc(C)on1)C(N)=O ZINC001422281301 890566013 /nfs/dbraw/zinc/56/60/13/890566013.db2.gz RDGUVZGLTVZUSH-BDAKNGLRSA-N 0 3 284.316 -1.073 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC001422284054 890566192 /nfs/dbraw/zinc/56/61/92/890566192.db2.gz PXTOASMHIVCQQA-ZJUUUORDSA-N 0 3 273.333 -1.632 20 0 CAADHN Cc1ccncc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001422281273 890566369 /nfs/dbraw/zinc/56/63/69/890566369.db2.gz YRIPJTWHZCFTAC-CMPLNLGQSA-N 0 3 292.339 -1.041 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)[nH]n1 ZINC001422278787 890566388 /nfs/dbraw/zinc/56/63/88/890566388.db2.gz LXLVVFCNFARAKF-JTQLQIEISA-N 0 3 297.359 -1.259 20 0 CAADHN Cc1ccncc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001422281280 890566450 /nfs/dbraw/zinc/56/64/50/890566450.db2.gz YRIPJTWHZCFTAC-JQWIXIFHSA-N 0 3 292.339 -1.041 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccn[nH]1)C(=O)NC1CC1 ZINC001422282396 890566712 /nfs/dbraw/zinc/56/67/12/890566712.db2.gz DGFRIESSELGWPF-WPRPVWTQSA-N 0 3 295.343 -1.243 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001422293696 890567992 /nfs/dbraw/zinc/56/79/92/890567992.db2.gz UBUIAIDVYCZPNZ-NSHDSACASA-N 0 3 297.359 -1.835 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N(C)C ZINC001422294806 890568015 /nfs/dbraw/zinc/56/80/15/890568015.db2.gz GQZWSZGMXIFDTF-BDAKNGLRSA-N 0 3 288.348 -1.087 20 0 CAADHN CCN(CC)C(=O)CNC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001422297439 890568070 /nfs/dbraw/zinc/56/80/70/890568070.db2.gz YCAUJRLCQANQKD-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ncccc1C ZINC001422288256 890568309 /nfs/dbraw/zinc/56/83/09/890568309.db2.gz PDVLBFPHWCMKBU-SNVBAGLBSA-N 0 3 280.328 -1.184 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)N1CCCC1 ZINC001422295495 890568344 /nfs/dbraw/zinc/56/83/44/890568344.db2.gz XWJMJROASJAILJ-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cnns2)C1=O ZINC001422290079 890568431 /nfs/dbraw/zinc/56/84/31/890568431.db2.gz LVHMTPFXLSPOIV-HTQZYQBOSA-N 0 3 299.356 -1.551 20 0 CAADHN CC(C)(F)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001422288930 890568546 /nfs/dbraw/zinc/56/85/46/890568546.db2.gz YNZFMGGHBRXBAE-ZCFIWIBFSA-N 0 3 278.284 -2.004 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001422293693 890568576 /nfs/dbraw/zinc/56/85/76/890568576.db2.gz UBRDJKQFCWRCAD-MWLCHTKSSA-N 0 3 297.359 -1.836 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnsn1 ZINC001422293408 890569426 /nfs/dbraw/zinc/56/94/26/890569426.db2.gz PQPPPKJTDWXIBL-ZCFIWIBFSA-N 0 3 273.318 -2.036 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cnnn2C)C1=O ZINC001422291745 890569471 /nfs/dbraw/zinc/56/94/71/890569471.db2.gz DPNBDRZLRXXZCW-RKDXNWHRSA-N 0 3 296.331 -2.274 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2cnnn2C)C1=O ZINC001422291728 890569486 /nfs/dbraw/zinc/56/94/86/890569486.db2.gz DPNBDRZLRXXZCW-BDAKNGLRSA-N 0 3 296.331 -2.274 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CC1(OC)CCC1 ZINC001422294176 890569623 /nfs/dbraw/zinc/56/96/23/890569623.db2.gz HFJUPIFCVDVLNE-JTQLQIEISA-N 0 3 287.360 -1.242 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)N1CCCC1 ZINC001422295489 890569695 /nfs/dbraw/zinc/56/96/95/890569695.db2.gz XWJMJROASJAILJ-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)no1 ZINC001422288598 890569909 /nfs/dbraw/zinc/56/99/09/890569909.db2.gz ZTYKWDPIVDWUOA-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001422299091 890570506 /nfs/dbraw/zinc/57/05/06/890570506.db2.gz AHCJWNFUTZKVFK-RNFRBKRXSA-N 0 3 270.293 -2.631 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)on1 ZINC001422294246 890570528 /nfs/dbraw/zinc/57/05/28/890570528.db2.gz FCRANBZLEITDIR-SFYZADRCSA-N 0 3 298.299 -1.748 20 0 CAADHN CC(C)(F)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001422288926 890570799 /nfs/dbraw/zinc/57/07/99/890570799.db2.gz YNZFMGGHBRXBAE-LURJTMIESA-N 0 3 278.284 -2.004 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001422293694 890570636 /nfs/dbraw/zinc/57/06/36/890570636.db2.gz UBRDJKQFCWRCAD-ONGXEEELSA-N 0 3 297.359 -1.836 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2cnns2)C1=O ZINC001422290090 890570697 /nfs/dbraw/zinc/57/06/97/890570697.db2.gz LVHMTPFXLSPOIV-SFYZADRCSA-N 0 3 299.356 -1.551 20 0 CAADHN CCN(CC)C(=O)CNC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001422297437 890570786 /nfs/dbraw/zinc/57/07/86/890570786.db2.gz YCAUJRLCQANQKD-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2ncn(C)n2)n[nH]1 ZINC001422300719 890571784 /nfs/dbraw/zinc/57/17/84/890571784.db2.gz CMHGSBOHAIQZGA-QMMMGPOBSA-N 0 3 294.319 -1.878 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001422309261 890572505 /nfs/dbraw/zinc/57/25/05/890572505.db2.gz BUMCIVBXGYILJE-YUMQZZPRSA-N 0 3 291.373 -1.740 20 0 CAADHN CC(C)c1cc(C(=O)NC[C@H](O)CNCC(N)=O)nn1C ZINC001422305821 890572636 /nfs/dbraw/zinc/57/26/36/890572636.db2.gz AELNCXOKZOWYOW-SECBINFHSA-N 0 3 297.359 -1.291 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnnn1CC)C(N)=O ZINC001422304114 890572715 /nfs/dbraw/zinc/57/27/15/890572715.db2.gz IHRJVZGYEQPQQJ-RKDXNWHRSA-N 0 3 298.347 -1.758 20 0 CAADHN CC[C@H](F)CNC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001422312879 890573040 /nfs/dbraw/zinc/57/30/40/890573040.db2.gz MFXOBFRBBNBMRM-DTWKUNHWSA-N 0 3 274.300 -1.512 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001422308745 890573332 /nfs/dbraw/zinc/57/33/32/890573332.db2.gz HADPKPFCWAAKAQ-MRVPVSSYSA-N 0 3 285.308 -3.172 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001422309253 890573185 /nfs/dbraw/zinc/57/31/85/890573185.db2.gz BUMCIVBXGYILJE-SFYZADRCSA-N 0 3 291.373 -1.740 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@H](O)CNCc1ccccn1 ZINC001422302669 890573976 /nfs/dbraw/zinc/57/39/76/890573976.db2.gz VGNGQLOYRWAYKV-GXSJLCMTSA-N 0 3 295.343 -1.295 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cn2c(n1)CCC2)C(N)=O ZINC001422310273 890574007 /nfs/dbraw/zinc/57/40/07/890574007.db2.gz IEUUYOJTJPEUIC-RKDXNWHRSA-N 0 3 295.343 -1.617 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)CC1(O)CCC1 ZINC001422306897 890574112 /nfs/dbraw/zinc/57/41/12/890574112.db2.gz LYLMOLVWGQOMRV-JTQLQIEISA-N 0 3 287.360 -1.506 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1ccn(C)n1)C(N)=O ZINC001422313993 890574285 /nfs/dbraw/zinc/57/42/85/890574285.db2.gz PCLUVISSRCIVTH-GXSJLCMTSA-N 0 3 297.359 -1.707 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cn2c(n1)CCC2)C(N)=O ZINC001422310256 890574359 /nfs/dbraw/zinc/57/43/59/890574359.db2.gz IEUUYOJTJPEUIC-DTWKUNHWSA-N 0 3 295.343 -1.617 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1c[nH]nc1C)C(N)=O ZINC001422339378 890575486 /nfs/dbraw/zinc/57/54/86/890575486.db2.gz BOOGMUJUYCYCEU-PSASIEDQSA-N 0 3 283.332 -1.338 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001422338249 890575500 /nfs/dbraw/zinc/57/55/00/890575500.db2.gz LDIOCNIAIILXMW-JLIMGVALSA-N 0 3 298.343 -1.706 20 0 CAADHN O=C(NC[C@H](O)C[NH2+][C@@H]1CCNC1=O)c1cnc[n-]c1=O ZINC001422324562 890575678 /nfs/dbraw/zinc/57/56/78/890575678.db2.gz IXPAOSIFXVMGSG-VXNVDRBHSA-N 0 3 295.299 -2.249 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cncn1C ZINC001422334484 890575785 /nfs/dbraw/zinc/57/57/85/890575785.db2.gz XDEJPMVXAHOTMK-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](O)CNCC(N)=O)CCC(=O)NC1 ZINC001422339650 890575834 /nfs/dbraw/zinc/57/58/34/890575834.db2.gz MBZBSVYOWDWVRA-UFBFGSQYSA-N 0 3 286.332 -2.545 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1snnc1C1CC1 ZINC001422337349 890576494 /nfs/dbraw/zinc/57/64/94/890576494.db2.gz WEHYPCGBTSGOLM-ZETCQYMHSA-N 0 3 299.356 -1.419 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001422319058 890576539 /nfs/dbraw/zinc/57/65/39/890576539.db2.gz YXDQITOCRBANDD-RITPCOANSA-N 0 3 294.258 -2.097 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cn2c(n1)CCC2 ZINC001422320619 890576652 /nfs/dbraw/zinc/57/66/52/890576652.db2.gz XVEOOZSJTUWHNM-QMMMGPOBSA-N 0 3 281.316 -2.005 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2cnco2)C1=O ZINC001422338284 890576786 /nfs/dbraw/zinc/57/67/86/890576786.db2.gz FAUXEHNKACRISS-DTWKUNHWSA-N 0 3 282.300 -1.414 20 0 CAADHN CCc1nn(C)cc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001422321673 890577025 /nfs/dbraw/zinc/57/70/25/890577025.db2.gz GIMBCWBYUFTHGN-SECBINFHSA-N 0 3 297.359 -1.591 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnn(CCF)c1 ZINC001422339410 890577113 /nfs/dbraw/zinc/57/71/13/890577113.db2.gz FDIUHPRHXCODOD-VIFPVBQESA-N 0 3 287.295 -1.982 20 0 CAADHN COc1ccc(CC(=O)NC[C@H](O)CNCC(N)=O)nc1 ZINC001422333407 890577342 /nfs/dbraw/zinc/57/73/42/890577342.db2.gz COAFKMBBLRXQAM-SNVBAGLBSA-N 0 3 296.327 -1.815 20 0 CAADHN Cc1ncc(CC(=O)NC[C@H](O)CNCC(=O)N(C)C)o1 ZINC001422331362 890577843 /nfs/dbraw/zinc/57/78/43/890577843.db2.gz VRCKIAMGJQILOG-SNVBAGLBSA-N 0 3 298.343 -1.320 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cnc2n[nH]nc2c1 ZINC001422327388 890578223 /nfs/dbraw/zinc/57/82/23/890578223.db2.gz PHYUZPLJOGVHLC-RNFRBKRXSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cnc2n[nH]nc2c1 ZINC001422327381 890578247 /nfs/dbraw/zinc/57/82/47/890578247.db2.gz PHYUZPLJOGVHLC-BQBZGAKWSA-N 0 3 291.315 -1.065 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cncn1C ZINC001422334491 890578257 /nfs/dbraw/zinc/57/82/57/890578257.db2.gz XDEJPMVXAHOTMK-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1c[nH]nc1C)C(N)=O ZINC001422339383 890578290 /nfs/dbraw/zinc/57/82/90/890578290.db2.gz BOOGMUJUYCYCEU-WPRPVWTQSA-N 0 3 283.332 -1.338 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1c[nH]nc1C)C(N)=O ZINC001422339380 890578412 /nfs/dbraw/zinc/57/84/12/890578412.db2.gz BOOGMUJUYCYCEU-WCBMZHEXSA-N 0 3 283.332 -1.338 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnc2ccccn12 ZINC001422353957 890579203 /nfs/dbraw/zinc/57/92/03/890579203.db2.gz TUAYYSOMUZFRDE-SECBINFHSA-N 0 3 291.311 -1.500 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1n[nH]cc1F ZINC001422349099 890579508 /nfs/dbraw/zinc/57/95/08/890579508.db2.gz QXUCRRPJEKJWHT-LURJTMIESA-N 0 3 273.268 -2.025 20 0 CAADHN Cc1ncccc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001422350617 890579538 /nfs/dbraw/zinc/57/95/38/890579538.db2.gz WZQRKQBIEWXMKG-UWVGGRQHSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001422355446 890579714 /nfs/dbraw/zinc/57/97/14/890579714.db2.gz SURWWRSODHWGFE-GXSJLCMTSA-N 0 3 295.343 -1.371 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422354806 890579732 /nfs/dbraw/zinc/57/97/32/890579732.db2.gz LAIJYZVNFAXIRS-UXCLJVHYSA-N 0 3 285.344 -1.966 20 0 CAADHN Cc1cc(C)c(C(=O)NC[C@H](O)CNCC(N)=O)c(=O)[nH]1 ZINC001422352480 890579818 /nfs/dbraw/zinc/57/98/18/890579818.db2.gz UCOFCJQERUUEAK-SECBINFHSA-N 0 3 296.327 -1.430 20 0 CAADHN Cc1cc(C2(C(=O)NC[C@@H](O)CNCC(N)=O)CC2)on1 ZINC001422342478 890579833 /nfs/dbraw/zinc/57/98/33/890579833.db2.gz OJUWMGFVVPPKLK-VIFPVBQESA-N 0 3 296.327 -1.433 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnco1 ZINC001422345077 890579965 /nfs/dbraw/zinc/57/99/65/890579965.db2.gz LTCOIGMBSWVNQT-QMMMGPOBSA-N 0 3 270.289 -1.509 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001422346620 890580093 /nfs/dbraw/zinc/58/00/93/890580093.db2.gz IXKAXRQCSWZVNW-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1ccnn1C ZINC001422344332 890580145 /nfs/dbraw/zinc/58/01/45/890580145.db2.gz GDOKSJLGIKMCSH-MWLCHTKSSA-N 0 3 297.359 -1.502 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001422359507 890580172 /nfs/dbraw/zinc/58/01/72/890580172.db2.gz XIFKAYCSJINTED-MWLCHTKSSA-N 0 3 295.343 -1.323 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnc2ccccn12 ZINC001422353960 890580446 /nfs/dbraw/zinc/58/04/46/890580446.db2.gz TUAYYSOMUZFRDE-VIFPVBQESA-N 0 3 291.311 -1.500 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2csnn2)n[nH]1 ZINC001422350939 890580663 /nfs/dbraw/zinc/58/06/63/890580663.db2.gz RRZNXJKHMRWEHB-ZETCQYMHSA-N 0 3 297.344 -1.155 20 0 CAADHN Cc1cc(C2(C(=O)NC[C@H](O)CNCC(N)=O)CC2)on1 ZINC001422342475 890580882 /nfs/dbraw/zinc/58/08/82/890580882.db2.gz OJUWMGFVVPPKLK-SECBINFHSA-N 0 3 296.327 -1.433 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001422343456 890580905 /nfs/dbraw/zinc/58/09/05/890580905.db2.gz FFIHVNRFJBIXTC-HTQZYQBOSA-N 0 3 287.320 -3.177 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC001422354758 890581071 /nfs/dbraw/zinc/58/10/71/890581071.db2.gz VGDOPAHXFPUWOO-JTQLQIEISA-N 0 3 296.327 -2.188 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001422355668 890581128 /nfs/dbraw/zinc/58/11/28/890581128.db2.gz OITDFRPKGHBHSG-YUMQZZPRSA-N 0 3 294.377 -2.154 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnco1)N1CCCC1 ZINC001422345273 890581191 /nfs/dbraw/zinc/58/11/91/890581191.db2.gz MHQFFLUHHZLROT-JTQLQIEISA-N 0 3 296.327 -1.023 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1c[nH]nc1CC ZINC001422358214 890581534 /nfs/dbraw/zinc/58/15/34/890581534.db2.gz ZPAKTJPQBMBZLE-VIFPVBQESA-N 0 3 297.359 -1.212 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001422347322 890581785 /nfs/dbraw/zinc/58/17/85/890581785.db2.gz WXHVPRNIPLUNMM-IIRVCBMXSA-N 0 3 281.356 -1.012 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1ccccn1 ZINC001422347586 890581799 /nfs/dbraw/zinc/58/17/99/890581799.db2.gz IHYLESHGTDDCEB-LBPRGKRZSA-N 0 3 294.355 -1.173 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1c[nH]cn1)C(=O)N(C)C ZINC001422379079 890582880 /nfs/dbraw/zinc/58/28/80/890582880.db2.gz XSYUZNPEYAOJTM-GXSJLCMTSA-N 0 3 297.359 -1.504 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2ncccn2)C1=O ZINC001422380002 890582990 /nfs/dbraw/zinc/58/29/90/890582990.db2.gz KRXGDNVNKDAHLN-UWVGGRQHSA-N 0 3 293.327 -1.612 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H](C)n1cccn1 ZINC001422378982 890583044 /nfs/dbraw/zinc/58/30/44/890583044.db2.gz JYYNFAFDSRSBJJ-GHMZBOCLSA-N 0 3 297.359 -1.353 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1ncccn1 ZINC001422378150 890583261 /nfs/dbraw/zinc/58/32/61/890583261.db2.gz INRWUVPIEATJRX-JTQLQIEISA-N 0 3 295.343 -1.778 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001422378640 890583282 /nfs/dbraw/zinc/58/32/82/890583282.db2.gz JLBKTEVFWHVGJJ-IUCAKERBSA-N 0 3 282.300 -1.448 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)n1 ZINC001422367294 890583669 /nfs/dbraw/zinc/58/36/69/890583669.db2.gz GGLUYDMTNVQMIE-SECBINFHSA-N 0 3 296.331 -2.226 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001422378629 890584016 /nfs/dbraw/zinc/58/40/16/890584016.db2.gz JLBKTEVFWHVGJJ-DTWKUNHWSA-N 0 3 282.300 -1.448 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1c[nH]cn1)C(=O)N(C)C ZINC001422379087 890584803 /nfs/dbraw/zinc/58/48/03/890584803.db2.gz XSYUZNPEYAOJTM-KOLCDFICSA-N 0 3 297.359 -1.504 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnn2c1CCCC2 ZINC001422371776 890585095 /nfs/dbraw/zinc/58/50/95/890585095.db2.gz CPZWWSBMGFSMQO-VIFPVBQESA-N 0 3 295.343 -1.615 20 0 CAADHN C[C@@H](Oc1cccnc1)C(=O)NC[C@H](O)CNCC(N)=O ZINC001422364984 890585116 /nfs/dbraw/zinc/58/51/16/890585116.db2.gz KUXWDSNOEISMEU-NXEZZACHSA-N 0 3 296.327 -1.599 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc2n(c1)CCCC2 ZINC001422400161 890586410 /nfs/dbraw/zinc/58/64/10/890586410.db2.gz DAIFKNXBXDRJLR-GFCCVEGCSA-N 0 3 294.355 -1.010 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001422382584 890586507 /nfs/dbraw/zinc/58/65/07/890586507.db2.gz BGFSWODDWIVANI-YUMQZZPRSA-N 0 3 272.349 -1.131 20 0 CAADHN C[C@]1(C(=O)NC[C@H](O)CNCC(N)=O)CCCOC1 ZINC001422384608 890586978 /nfs/dbraw/zinc/58/69/78/890586978.db2.gz BGUVVTRHWBZGNS-SKDRFNHKSA-N 0 3 273.333 -1.645 20 0 CAADHN Cc1nocc1CNC[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001422399243 890586999 /nfs/dbraw/zinc/58/69/99/890586999.db2.gz NBQVBJDQXUBRMD-SNVBAGLBSA-N 0 3 294.315 -1.089 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](O)CNCC(N)=O)CCCOC1 ZINC001422384604 890587080 /nfs/dbraw/zinc/58/70/80/890587080.db2.gz BGUVVTRHWBZGNS-CABZTGNLSA-N 0 3 273.333 -1.645 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001422382578 890587170 /nfs/dbraw/zinc/58/71/70/890587170.db2.gz BGFSWODDWIVANI-SFYZADRCSA-N 0 3 272.349 -1.131 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ncccn1 ZINC001422387232 890587426 /nfs/dbraw/zinc/58/74/26/890587426.db2.gz TUCIQUUIQWFDJF-RKDXNWHRSA-N 0 3 279.300 -1.955 20 0 CAADHN CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001422387465 890587474 /nfs/dbraw/zinc/58/74/74/890587474.db2.gz GZSONEYBSUMPQT-IUCAKERBSA-N 0 3 297.363 -1.235 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1nonc1C ZINC001422398967 890587614 /nfs/dbraw/zinc/58/76/14/890587614.db2.gz VKCTXJXIRLCNOT-VIFPVBQESA-N 0 3 299.331 -1.877 20 0 CAADHN CC(C)c1nnnn1CC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001422387455 890587866 /nfs/dbraw/zinc/58/78/66/890587866.db2.gz GZSONEYBSUMPQT-BDAKNGLRSA-N 0 3 297.363 -1.235 20 0 CAADHN Cc1oncc1CNC[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001422392199 890588113 /nfs/dbraw/zinc/58/81/13/890588113.db2.gz DFGDJGOTIPUORI-SNVBAGLBSA-N 0 3 294.315 -1.089 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cccnn1 ZINC001422384221 890588242 /nfs/dbraw/zinc/58/82/42/890588242.db2.gz RFJVMWLHMGJVFK-VIFPVBQESA-N 0 3 281.316 -1.707 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)c1cnon1 ZINC001422389890 890588516 /nfs/dbraw/zinc/58/85/16/890588516.db2.gz VRZPSGPQVLWJCU-VIFPVBQESA-N 0 3 280.288 -1.316 20 0 CAADHN COc1cccnc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001422392095 890588561 /nfs/dbraw/zinc/58/85/61/890588561.db2.gz NFWZOKMKCQZDQN-QMMMGPOBSA-N 0 3 282.300 -1.744 20 0 CAADHN CC(C)c1nnnn1CC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001422387497 890588720 /nfs/dbraw/zinc/58/87/20/890588720.db2.gz GZSONEYBSUMPQT-RKDXNWHRSA-N 0 3 297.363 -1.235 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cn(CC)cn1 ZINC001422400497 890588774 /nfs/dbraw/zinc/58/87/74/890588774.db2.gz OIYNLPNPBSWVGT-SNVBAGLBSA-N 0 3 297.359 -1.281 20 0 CAADHN CCn1cnc(C(=O)NC[C@H](O)CN[C@H](C)C(=O)NC)c1 ZINC001422391700 890588900 /nfs/dbraw/zinc/58/89/00/890588900.db2.gz BZBREBMADKYZJC-NXEZZACHSA-N 0 3 297.359 -1.282 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001422401071 890588977 /nfs/dbraw/zinc/58/89/77/890588977.db2.gz FYXZUQKKAYXXQP-DTWKUNHWSA-N 0 3 299.331 -1.465 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)Cn1cccn1 ZINC001422454606 890590238 /nfs/dbraw/zinc/59/02/38/890590238.db2.gz HAHVFNXVUWHXCX-RKDXNWHRSA-N 0 3 296.331 -1.439 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CN(C)CCO1 ZINC001422417697 890590390 /nfs/dbraw/zinc/59/03/90/890590390.db2.gz BJZWJLZOHAUZCI-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN Cc1nn(CC(=O)N[C@H](C)[C@H](C)NCC(N)=O)c(=O)n1C ZINC001422432610 890590553 /nfs/dbraw/zinc/59/05/53/890590553.db2.gz XXCHZKVOXRNWKS-JGVFFNPUSA-N 0 3 298.347 -2.142 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCNC(N)=O ZINC001422414109 890590563 /nfs/dbraw/zinc/59/05/63/890590563.db2.gz KONHYFUAPSPNOJ-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001422456370 890590636 /nfs/dbraw/zinc/59/06/36/890590636.db2.gz QILFDXXTNFWDOP-SECBINFHSA-N 0 3 283.336 -1.708 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CN(C)CCO1 ZINC001422417690 890590924 /nfs/dbraw/zinc/59/09/24/890590924.db2.gz BJZWJLZOHAUZCI-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN Cc1nn(CC(=O)N[C@H](C)[C@@H](C)NCC(N)=O)c(=O)n1C ZINC001422432604 890590972 /nfs/dbraw/zinc/59/09/72/890590972.db2.gz XXCHZKVOXRNWKS-HTQZYQBOSA-N 0 3 298.347 -2.142 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001422409798 890591009 /nfs/dbraw/zinc/59/10/09/890591009.db2.gz RSHCWPQRNQAHRY-QWRGUYRKSA-N 0 3 295.343 -1.735 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1cccc(F)c1 ZINC001422413144 890591183 /nfs/dbraw/zinc/59/11/83/890591183.db2.gz RWZGCOWELTWKEC-NSHDSACASA-N 0 3 283.303 -1.080 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001422458345 890591519 /nfs/dbraw/zinc/59/15/19/890591519.db2.gz XMRVWBCOZMJRLY-SECBINFHSA-N 0 3 295.343 -1.294 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1nonc1C ZINC001422408214 890591587 /nfs/dbraw/zinc/59/15/87/890591587.db2.gz TTZISGQSZRYSSM-SECBINFHSA-N 0 3 299.331 -1.415 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CNC(=O)C1CC1 ZINC001422429641 890591892 /nfs/dbraw/zinc/59/18/92/890591892.db2.gz TZEWKFJQMWLNOE-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN Cn1cncc1CCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001422410146 890592222 /nfs/dbraw/zinc/59/22/22/890592222.db2.gz XYLYWLPCXIEOPL-JTQLQIEISA-N 0 3 283.332 -2.095 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001422535957 890593881 /nfs/dbraw/zinc/59/38/81/890593881.db2.gz QBXRTQDQAUISBU-VWYCJHECSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N(C)C[C@H](O)COC ZINC001422521631 890594027 /nfs/dbraw/zinc/59/40/27/890594027.db2.gz SWZHYAFQNBGNCU-UWVGGRQHSA-N 0 3 290.364 -1.641 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1cccn1C ZINC001422459921 890594163 /nfs/dbraw/zinc/59/41/63/890594163.db2.gz GNCPCNMQSKZPHJ-MRVPVSSYSA-N 0 3 281.316 -1.072 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)C[C@H](C)NC(N)=O ZINC001422500307 890595670 /nfs/dbraw/zinc/59/56/70/890595670.db2.gz WGQBIRSXMRKURZ-DTWKUNHWSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)[C@H](C)NC(N)=O ZINC001422495178 890594850 /nfs/dbraw/zinc/59/48/50/890594850.db2.gz IJNQPRONMIRFFZ-HLTSFMKQSA-N 0 3 299.375 -1.195 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)[C@H](C)NC(N)=O ZINC001422499819 890595265 /nfs/dbraw/zinc/59/52/65/890595265.db2.gz RDXJBOKTUGAWCG-CSMHCCOUSA-N 0 3 271.321 -1.974 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cc2n(n1)CCO2 ZINC001422507697 890595293 /nfs/dbraw/zinc/59/52/93/890595293.db2.gz YQEIQRDTMACSJW-SFYZADRCSA-N 0 3 281.316 -1.143 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001422489746 890595828 /nfs/dbraw/zinc/59/58/28/890595828.db2.gz JUNYQTFCSPSUDV-SFYZADRCSA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)CS(C)(=O)=O ZINC001422467698 890595914 /nfs/dbraw/zinc/59/59/14/890595914.db2.gz YTKXGFCCXIEIPF-SECBINFHSA-N 0 3 291.373 -1.642 20 0 CAADHN CNC(=O)CCCC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001422484246 890595930 /nfs/dbraw/zinc/59/59/30/890595930.db2.gz YDZACTOAVPXNOK-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)c1nnn(C)n1 ZINC001422535342 890596236 /nfs/dbraw/zinc/59/62/36/890596236.db2.gz LTZKWUSJBDKARC-MRVPVSSYSA-N 0 3 295.347 -1.461 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1COCCO1 ZINC001422463000 890596536 /nfs/dbraw/zinc/59/65/36/890596536.db2.gz LGEKOHLICJSEPW-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001422492652 890596973 /nfs/dbraw/zinc/59/69/73/890596973.db2.gz XIKLGFJWRRWUMC-SFYZADRCSA-N 0 3 271.321 -2.102 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001422536176 890597031 /nfs/dbraw/zinc/59/70/31/890597031.db2.gz SESACGJYGVVEDP-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN COCCN(C)[C@@H](C)CNC(=O)CN1CCOCC1=O ZINC001422527322 890597058 /nfs/dbraw/zinc/59/70/58/890597058.db2.gz QGWCMVDPLBFNAU-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cnco1 ZINC001422528647 890597174 /nfs/dbraw/zinc/59/71/74/890597174.db2.gz OQQTYDBXDRUBDL-SSDOTTSWSA-N 0 3 283.288 -1.162 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cc2n(n1)CCO2 ZINC001422507695 890597335 /nfs/dbraw/zinc/59/73/35/890597335.db2.gz YQEIQRDTMACSJW-HTQZYQBOSA-N 0 3 281.316 -1.143 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cn2c(n1)COCC2 ZINC001422515980 890597514 /nfs/dbraw/zinc/59/75/14/890597514.db2.gz OEHRUMQISCUAIP-BDAKNGLRSA-N 0 3 295.343 -1.005 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cccn2nnnc12 ZINC001422493987 890597939 /nfs/dbraw/zinc/59/79/39/890597939.db2.gz DBKWIRBWDZGSGS-MRVPVSSYSA-N 0 3 291.315 -1.422 20 0 CAADHN CCN1CCO[C@@H](C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001422597397 890598952 /nfs/dbraw/zinc/59/89/52/890598952.db2.gz IYMVUPDSLGEMOQ-NXEZZACHSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001422583262 890599025 /nfs/dbraw/zinc/59/90/25/890599025.db2.gz UFTXTRNRNPVCPM-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)c1c[nH]c(=O)cn1 ZINC001422553405 890599284 /nfs/dbraw/zinc/59/92/84/890599284.db2.gz YHNDOFWAXAKHQM-MRVPVSSYSA-N 0 3 293.327 -1.244 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CCNC(N)=O ZINC001422598453 890599623 /nfs/dbraw/zinc/59/96/23/890599623.db2.gz HDQGMNOBJARDQY-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)[C@H](C)N(C)[C@@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001422576966 890600102 /nfs/dbraw/zinc/60/01/02/890600102.db2.gz IBAGXNMEIYXRLG-IUCAKERBSA-N 0 3 282.348 -1.082 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)CCNC(N)=O ZINC001422598456 890600339 /nfs/dbraw/zinc/60/03/39/890600339.db2.gz HDQGMNOBJARDQY-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001422569944 890600694 /nfs/dbraw/zinc/60/06/94/890600694.db2.gz RIHJDVFYLGNDGP-SFYZADRCSA-N 0 3 294.377 -2.236 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001422573610 890600746 /nfs/dbraw/zinc/60/07/46/890600746.db2.gz OKUMONKFSXPLRE-SSDOTTSWSA-N 0 3 297.315 -2.723 20 0 CAADHN CNC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001422576965 890601013 /nfs/dbraw/zinc/60/10/13/890601013.db2.gz IBAGXNMEIYXRLG-DTWKUNHWSA-N 0 3 282.348 -1.082 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001422589753 890601088 /nfs/dbraw/zinc/60/10/88/890601088.db2.gz JVAANSSHKCZPSX-BBBLOLIVSA-N 0 3 284.360 -1.164 20 0 CAADHN CCC(=O)N1CC[C@@H](C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001422592203 890601377 /nfs/dbraw/zinc/60/13/77/890601377.db2.gz ZEALAZKHIWLLEL-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCn1cnccc1=O ZINC001422586994 890601644 /nfs/dbraw/zinc/60/16/44/890601644.db2.gz UXDGAUQJQGSAJE-SECBINFHSA-N 0 3 281.316 -1.787 20 0 CAADHN CN(C)C1(C(=O)NC2(CCO)CN(CC(N)=O)C2)CCC1 ZINC001422628109 890602816 /nfs/dbraw/zinc/60/28/16/890602816.db2.gz MTPWZDSLRDPQOE-UHFFFAOYSA-N 0 3 298.387 -1.491 20 0 CAADHN Cc1ccnc2nc(C(=O)N[C@H](C)CNCC(N)=O)nn21 ZINC001422602836 890602916 /nfs/dbraw/zinc/60/29/16/890602916.db2.gz BJLDTFQPDOTIAZ-SSDOTTSWSA-N 0 3 291.315 -1.374 20 0 CAADHN CCCNC(=O)[C@H](C)NC[C@H](C)NC(=O)Cn1cnnn1 ZINC001422622969 890603071 /nfs/dbraw/zinc/60/30/71/890603071.db2.gz JREAMUVCQCTGRO-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)CCOC ZINC001422623576 890603635 /nfs/dbraw/zinc/60/36/35/890603635.db2.gz JSYOTGUXRFHLAH-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN CCO[C@@H](C)C(=O)N[C@@H](C)CNCC(=O)NC(=O)NC ZINC001422626936 890603833 /nfs/dbraw/zinc/60/38/33/890603833.db2.gz CKJAFKHYJBZJFV-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1cccnc1 ZINC001422615294 890604298 /nfs/dbraw/zinc/60/42/98/890604298.db2.gz WXODNZARZKTNQJ-QMMMGPOBSA-N 0 3 279.300 -1.016 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)Cc1ccon1 ZINC001422629523 890605779 /nfs/dbraw/zinc/60/57/79/890605779.db2.gz BGZVEXDEKFDQLZ-ZETCQYMHSA-N 0 3 283.288 -1.494 20 0 CAADHN C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)Cn1cnnn1 ZINC001422622974 890604570 /nfs/dbraw/zinc/60/45/70/890604570.db2.gz JTEUWYFQQHTCMD-VIFPVBQESA-N 0 3 297.363 -1.318 20 0 CAADHN CCN(CC)C(=O)CNC[C@H](C)NC(=O)Cn1cnnn1 ZINC001422624877 890604621 /nfs/dbraw/zinc/60/46/21/890604621.db2.gz QNRRXMKNLLLWAU-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001422625785 890604636 /nfs/dbraw/zinc/60/46/36/890604636.db2.gz RQPPWSUGHNMXKE-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN Cc1cc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)ncn1 ZINC001422632702 890605678 /nfs/dbraw/zinc/60/56/78/890605678.db2.gz JKNVDZAAOFEIQK-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H](C)OC ZINC001422630090 890605734 /nfs/dbraw/zinc/60/57/34/890605734.db2.gz KBRMTLLETCMNJA-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C1=COCCC1 ZINC001422638189 890605768 /nfs/dbraw/zinc/60/57/68/890605768.db2.gz XFOVERZWCZWZQS-QMMMGPOBSA-N 0 3 284.316 -1.030 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1COCCO1 ZINC001422629308 890605774 /nfs/dbraw/zinc/60/57/74/890605774.db2.gz VUWDVURQLNKOQM-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)c1ncn(C)n1 ZINC001422640665 890605879 /nfs/dbraw/zinc/60/58/79/890605879.db2.gz SRWORZMWTQNOSB-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cccn2nnnc12 ZINC001422650738 890606088 /nfs/dbraw/zinc/60/60/88/890606088.db2.gz ASLHVZQDSVFZLU-YUMQZZPRSA-N 0 3 291.315 -1.294 20 0 CAADHN CCN1CC[C@H](NC[C@H](C)NC(=O)[C@H](C)NC(N)=O)C1=O ZINC001422643251 890606339 /nfs/dbraw/zinc/60/63/39/890606339.db2.gz YYOXHDTVAASRLD-GUBZILKMSA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001422633648 890607112 /nfs/dbraw/zinc/60/71/12/890607112.db2.gz SSCWCLOZSYUCBT-AXFHLTTASA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)Cn1ncnn1 ZINC001422648297 890607243 /nfs/dbraw/zinc/60/72/43/890607243.db2.gz YTLSETKTZTXPHA-VIFPVBQESA-N 0 3 295.347 -1.706 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001422628934 890607558 /nfs/dbraw/zinc/60/75/58/890607558.db2.gz CWOMEPNJFCEVOM-GXSJLCMTSA-N 0 3 296.371 -1.115 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)Cn1ncnn1 ZINC001422645970 890607711 /nfs/dbraw/zinc/60/77/11/890607711.db2.gz KHTMMPQUPJVKIQ-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N[C@@H](C)CNCC(=O)NC ZINC001422656603 890607792 /nfs/dbraw/zinc/60/77/92/890607792.db2.gz RJTSPGXVCFKMEV-DTWKUNHWSA-N 0 3 272.349 -1.259 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001422630288 890607867 /nfs/dbraw/zinc/60/78/67/890607867.db2.gz BIQUJAWSXBALGA-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@H](OC)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001422638038 890608012 /nfs/dbraw/zinc/60/80/12/890608012.db2.gz VMOLVFRKYLJGLF-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CNC(=O)OC)C(N)=O ZINC001422629127 890607925 /nfs/dbraw/zinc/60/79/25/890607925.db2.gz HLMXOZJCJFAFFO-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CNCC(=O)NC2CC2)C1 ZINC001422655712 890608026 /nfs/dbraw/zinc/60/80/26/890608026.db2.gz VTUACDRFPKLTNG-VIFPVBQESA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@@H](C)OC ZINC001422628356 890608066 /nfs/dbraw/zinc/60/80/66/890608066.db2.gz AMIJMIWVYPTELR-DJLDLDEBSA-N 0 3 288.348 -1.040 20 0 CAADHN CCn1cc(C(=O)N[C@@H](C)CN[C@@H]2CCNC2=O)nn1 ZINC001422725128 890608775 /nfs/dbraw/zinc/60/87/75/890608775.db2.gz WGZSXTUICQZZGE-DTWKUNHWSA-N 0 3 280.332 -1.106 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001422663275 890609300 /nfs/dbraw/zinc/60/93/00/890609300.db2.gz YPUMWTJXJOMGAO-DTWKUNHWSA-N 0 3 295.343 -1.377 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001422694164 890609571 /nfs/dbraw/zinc/60/95/71/890609571.db2.gz CCSPZPPGOAXQKI-YUMQZZPRSA-N 0 3 295.343 -1.044 20 0 CAADHN COC[C@@H](O)CN1CC([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001422711777 890609728 /nfs/dbraw/zinc/60/97/28/890609728.db2.gz XFYWPBDXLQIFSQ-ONGXEEELSA-N 0 3 298.347 -1.883 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNCC(N)=O ZINC001422716632 890609787 /nfs/dbraw/zinc/60/97/87/890609787.db2.gz HLYBCERIWPXKAU-QMMMGPOBSA-N 0 3 272.349 -1.272 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cnc(OC)nc1 ZINC001422731951 890609829 /nfs/dbraw/zinc/60/98/29/890609829.db2.gz JHKYLYAQJBWSPE-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1ccnnc1 ZINC001422704081 890610000 /nfs/dbraw/zinc/61/00/00/890610000.db2.gz JSKCRAXBDGAUPN-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001422695111 890610057 /nfs/dbraw/zinc/61/00/57/890610057.db2.gz HJJHGFICCIMENN-YUMQZZPRSA-N 0 3 283.332 -1.032 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CN1CCCNC1=O ZINC001422677372 890610127 /nfs/dbraw/zinc/61/01/27/890610127.db2.gz OJQMCVVNIVVVKH-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1nccn2ccnc12 ZINC001422699054 890610171 /nfs/dbraw/zinc/61/01/71/890610171.db2.gz UZZSCUHQSDUJMV-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CN1CCCCC1=O)C(N)=O ZINC001422679294 890610299 /nfs/dbraw/zinc/61/02/99/890610299.db2.gz XGALCYHYEPXCHB-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)[C@H]2C[C@H]2C(N)=O)n[nH]1 ZINC001422696932 890610428 /nfs/dbraw/zinc/61/04/28/890610428.db2.gz OFHIOUAJQJOEPA-ZQARSLAVSA-N 0 3 280.332 -1.171 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CNS(=O)(=O)NC ZINC001422679345 890610500 /nfs/dbraw/zinc/61/05/00/890610500.db2.gz BXKHHFWWZOSHJH-ZETCQYMHSA-N 0 3 295.365 -3.120 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CC1CS(=O)(=O)C1 ZINC001422665830 890610692 /nfs/dbraw/zinc/61/06/92/890610692.db2.gz FRSPMHGMIBDMLN-ZETCQYMHSA-N 0 3 277.346 -1.999 20 0 CAADHN COC[C@@H](O)CN1CC([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001422711775 890611106 /nfs/dbraw/zinc/61/11/06/890611106.db2.gz XFYWPBDXLQIFSQ-KOLCDFICSA-N 0 3 298.347 -1.883 20 0 CAADHN C[C@H](O)CN1CC([C@H](C)NC(=O)CCNC(N)=O)C1 ZINC001422747744 890612318 /nfs/dbraw/zinc/61/23/18/890612318.db2.gz AMNZJLAGOYWAMM-IUCAKERBSA-N 0 3 272.349 -1.138 20 0 CAADHN CCN1CC[C@H](NC[C@H](C)NC(=O)CCNC(N)=O)C1=O ZINC001422746546 890612374 /nfs/dbraw/zinc/61/23/74/890612374.db2.gz SLBKNMPRNYPRPL-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CCc1cn(C)nn1 ZINC001422766904 890612525 /nfs/dbraw/zinc/61/25/25/890612525.db2.gz MYQCTBIRDWRRBJ-IUCAKERBSA-N 0 3 282.348 -1.284 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)CCNC(N)=O ZINC001422741423 890612681 /nfs/dbraw/zinc/61/26/81/890612681.db2.gz FQKRLBQSQJZFFK-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)CCNC(N)=O ZINC001422741433 890612701 /nfs/dbraw/zinc/61/27/01/890612701.db2.gz FRJOUBPXDAURCL-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001422761993 890612851 /nfs/dbraw/zinc/61/28/51/890612851.db2.gz VTBBORGQSGVYBN-VIFPVBQESA-N 0 3 297.359 -1.432 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN(C)CCn1cncn1 ZINC001422782639 890612872 /nfs/dbraw/zinc/61/28/72/890612872.db2.gz STPURNDPUYHRPU-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)Cn1cncn1 ZINC001422743868 890612976 /nfs/dbraw/zinc/61/29/76/890612976.db2.gz LRBMTAGLOPJYKE-JTQLQIEISA-N 0 3 294.359 -1.007 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN(C)CCn1cncn1 ZINC001422782641 890613672 /nfs/dbraw/zinc/61/36/72/890613672.db2.gz STPURNDPUYHRPU-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN Cc1ccnc2nc(C(=O)N[C@@H](C)CNCC(N)=O)nn21 ZINC001422742775 890614195 /nfs/dbraw/zinc/61/41/95/890614195.db2.gz BJLDTFQPDOTIAZ-ZETCQYMHSA-N 0 3 291.315 -1.374 20 0 CAADHN C[C@@H](NC(=O)CCNC(N)=O)C1CN(C[C@H](C)O)C1 ZINC001422747735 890614546 /nfs/dbraw/zinc/61/45/46/890614546.db2.gz AMNZJLAGOYWAMM-DTWKUNHWSA-N 0 3 272.349 -1.138 20 0 CAADHN C[C@H]([NH2+]CCO)[C@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001422855116 890615841 /nfs/dbraw/zinc/61/58/41/890615841.db2.gz LZZNPAQBFUVYNJ-GXSJLCMTSA-N 0 3 296.327 -1.006 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H](C)CN(C)CCO ZINC001422853119 890616691 /nfs/dbraw/zinc/61/66/91/890616691.db2.gz YWHJPEOSRZGEHM-QMMMGPOBSA-N 0 3 282.366 -2.531 20 0 CAADHN C[C@@H]([NH2+]CCO)[C@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001422855118 890617057 /nfs/dbraw/zinc/61/70/57/890617057.db2.gz LZZNPAQBFUVYNJ-MWLCHTKSSA-N 0 3 296.327 -1.006 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001422858747 890617288 /nfs/dbraw/zinc/61/72/88/890617288.db2.gz RXKMQJZJSSCMOU-NXEZZACHSA-N 0 3 295.343 -1.357 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H](C)CN(C)CCO ZINC001422853116 890618093 /nfs/dbraw/zinc/61/80/93/890618093.db2.gz YWHJPEOSRZGEHM-MRVPVSSYSA-N 0 3 282.366 -2.531 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001422928915 890618965 /nfs/dbraw/zinc/61/89/65/890618965.db2.gz GMONZGOSTDOGPS-VIFPVBQESA-N 0 3 299.375 -1.288 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](CNCC(=O)NC)C1CC1 ZINC001422977470 890619109 /nfs/dbraw/zinc/61/91/09/890619109.db2.gz ASFVSGYIFAIVRG-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)CS(C)(=O)=O)C1CC1)C(N)=O ZINC001422977830 890619336 /nfs/dbraw/zinc/61/93/36/890619336.db2.gz VTDAYBVQOULDIV-VXNVDRBHSA-N 0 3 291.373 -1.611 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1CC1 ZINC001422973020 890619517 /nfs/dbraw/zinc/61/95/17/890619517.db2.gz LQCFBOLDPPJKOC-GZMMTYOYSA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001422975329 890619949 /nfs/dbraw/zinc/61/99/49/890619949.db2.gz QPKKPVBXXRQNJY-LLVKDONJSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)CS(C)(=O)=O)C1CC1)C(N)=O ZINC001422977467 890620593 /nfs/dbraw/zinc/62/05/93/890620593.db2.gz VTDAYBVQOULDIV-APPZFPTMSA-N 0 3 291.373 -1.611 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1CCC(=O)N1C)C1CC1 ZINC001423019366 890621978 /nfs/dbraw/zinc/62/19/78/890621978.db2.gz DQTHGSSCNXSVQZ-GHMZBOCLSA-N 0 3 296.371 -1.162 20 0 CAADHN Cn1cc(CC(=O)N[C@@H](CNCC(N)=O)C2CC2)cn1 ZINC001422987784 890622111 /nfs/dbraw/zinc/62/21/11/890622111.db2.gz ODUSJEJYTGIOOL-NSHDSACASA-N 0 3 279.344 -1.068 20 0 CAADHN CN(C(=O)c1ncn(C)n1)[C@H](CNCC(N)=O)C1CC1 ZINC001422983319 890622144 /nfs/dbraw/zinc/62/21/44/890622144.db2.gz OYOWMILHLDPIJC-SECBINFHSA-N 0 3 280.332 -1.259 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001423056052 890622475 /nfs/dbraw/zinc/62/24/75/890622475.db2.gz VAWVDUHNWBBERQ-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001423034502 890622851 /nfs/dbraw/zinc/62/28/51/890622851.db2.gz XIQZSLWEAQZVIG-DTWKUNHWSA-N 0 3 283.332 -2.102 20 0 CAADHN CC[C@@H](N[C@@H](C)CN(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001423035506 890622873 /nfs/dbraw/zinc/62/28/73/890622873.db2.gz ZUQOECBQZBUQPB-DTWKUNHWSA-N 0 3 293.389 -1.269 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncnn1)N[C@@H](C)C(=O)N(C)C ZINC001423046433 890622889 /nfs/dbraw/zinc/62/28/89/890622889.db2.gz DZELUWHZMUYXPD-ZJUUUORDSA-N 0 3 297.363 -1.414 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CCNC(=O)NC)C1CC1 ZINC001423002270 890622957 /nfs/dbraw/zinc/62/29/57/890622957.db2.gz MYXMGQFQQBIXQJ-JTQLQIEISA-N 0 3 299.375 -1.464 20 0 CAADHN C[C@H](CN(C)C(=O)c1cocn1)NCC(=O)NC(N)=O ZINC001423050669 890623295 /nfs/dbraw/zinc/62/32/95/890623295.db2.gz NUJIVFXCJMABGB-SSDOTTSWSA-N 0 3 283.288 -1.080 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnccn1)NCC(=O)NC(N)=O ZINC001423007158 890623030 /nfs/dbraw/zinc/62/30/30/890623030.db2.gz IKDRAHAKUUZXJT-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN CN(C(=O)[C@H]1CCC(=O)N1)[C@@H](CNCC(N)=O)C1CC1 ZINC001422986873 890623241 /nfs/dbraw/zinc/62/32/41/890623241.db2.gz MOCJFWRYEYZCQD-ZJUUUORDSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001423006410 890623459 /nfs/dbraw/zinc/62/34/59/890623459.db2.gz IFMNPFBUMONKIW-CBAPKCEASA-N 0 3 295.347 -1.557 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@H](C)N[C@@H]2CCNC2=O)C1 ZINC001423062715 890623487 /nfs/dbraw/zinc/62/34/87/890623487.db2.gz LMIGBBKQSTZFHK-JOYOIKCWSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)nn1)NCC(=O)N(C)C ZINC001423042592 890623506 /nfs/dbraw/zinc/62/35/06/890623506.db2.gz MKKFRGIOOQKRPG-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN CC[C@@H](N[C@H](C)CN(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001423035510 890623792 /nfs/dbraw/zinc/62/37/92/890623792.db2.gz ZUQOECBQZBUQPB-RKDXNWHRSA-N 0 3 293.389 -1.269 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001422983172 890623810 /nfs/dbraw/zinc/62/38/10/890623810.db2.gz DTEXJRAJJAKMGY-WCBMZHEXSA-N 0 3 299.375 -1.384 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)Cn1cncn1)C1CC1)C(N)=O ZINC001423057386 890623929 /nfs/dbraw/zinc/62/39/29/890623929.db2.gz DJSNAPNFRBRNNS-SCZZXKLOSA-N 0 3 280.332 -1.364 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncnn1)N[C@H](C)C(=O)N(C)C ZINC001423046413 890623951 /nfs/dbraw/zinc/62/39/51/890623951.db2.gz DZELUWHZMUYXPD-NXEZZACHSA-N 0 3 297.363 -1.414 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001423027391 890624105 /nfs/dbraw/zinc/62/41/05/890624105.db2.gz NVLDGIPWWOFOFQ-ZJUUUORDSA-N 0 3 297.359 -1.760 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@H](C)N[C@H]2CCNC2=O)C1 ZINC001423062709 890624232 /nfs/dbraw/zinc/62/42/32/890624232.db2.gz LMIGBBKQSTZFHK-CABZTGNLSA-N 0 3 296.371 -1.210 20 0 CAADHN CN1CC[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC1=O ZINC001423008108 890624240 /nfs/dbraw/zinc/62/42/40/890624240.db2.gz RXLZAUHBRYAYMV-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN CC[C@@H](N[C@@H](C)CN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001423054254 890624356 /nfs/dbraw/zinc/62/43/56/890624356.db2.gz RVQBOHRDGLCNFP-DTWKUNHWSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccnc2n[nH]nc21)NCC(N)=O ZINC001423092782 890625354 /nfs/dbraw/zinc/62/53/54/890625354.db2.gz NINXHXRJRXUKGT-ZETCQYMHSA-N 0 3 291.315 -1.112 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)NCCF ZINC001423102530 890625827 /nfs/dbraw/zinc/62/58/27/890625827.db2.gz UUYVZYYDEMREHO-JTQLQIEISA-N 0 3 274.340 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccn(C)c(=O)c1)NCC(N)=O ZINC001423083793 890626130 /nfs/dbraw/zinc/62/61/30/890626130.db2.gz YCMWTAKGWUFKMY-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccnc2n[nH]nc21)NCC(N)=O ZINC001423092781 890626515 /nfs/dbraw/zinc/62/65/15/890626515.db2.gz NINXHXRJRXUKGT-SSDOTTSWSA-N 0 3 291.315 -1.112 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnnn1C)NCC(=O)NC(N)=O ZINC001423068292 890626643 /nfs/dbraw/zinc/62/66/43/890626643.db2.gz UHOXXCYDDOJLRH-ZETCQYMHSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CCS(C)(=O)=O)C(N)=O ZINC001423080350 890626687 /nfs/dbraw/zinc/62/66/87/890626687.db2.gz QTNPXTKLEFXFDB-DTWKUNHWSA-N 0 3 293.389 -1.269 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCCCN1C(N)=O)NCC(N)=O ZINC001423145875 890628626 /nfs/dbraw/zinc/62/86/26/890628626.db2.gz JNRHJQUOZXWWAX-ZJUUUORDSA-N 0 3 299.375 -1.159 20 0 CAADHN CNS(=O)(=O)CCN[C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC001423143816 890628798 /nfs/dbraw/zinc/62/87/98/890628798.db2.gz QIMULQAORMPAHX-RKDXNWHRSA-N 0 3 284.403 -1.052 20 0 CAADHN CNS(=O)(=O)CCN[C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC001423143814 890630058 /nfs/dbraw/zinc/63/00/58/890630058.db2.gz QIMULQAORMPAHX-DTWKUNHWSA-N 0 3 284.403 -1.052 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001423126758 890630108 /nfs/dbraw/zinc/63/01/08/890630108.db2.gz QCKWXAFPMKMWJL-MRVPVSSYSA-N 0 3 283.336 -1.604 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001423160978 890630467 /nfs/dbraw/zinc/63/04/67/890630467.db2.gz BCDHPBWJKNOSTM-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001423110014 890630555 /nfs/dbraw/zinc/63/05/55/890630555.db2.gz PRLJPTGEQFKNDH-SECBINFHSA-N 0 3 295.343 -1.044 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001423162714 890631652 /nfs/dbraw/zinc/63/16/52/890631652.db2.gz ROELRRDBFCOYQK-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001423180879 890632146 /nfs/dbraw/zinc/63/21/46/890632146.db2.gz DDCBAMUYOCHDSV-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1cnccn1 ZINC001423177735 890632949 /nfs/dbraw/zinc/63/29/49/890632949.db2.gz OJTHOOYFBZGKKO-SNVBAGLBSA-N 0 3 291.315 -1.551 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)c1cnon1 ZINC001423162925 890632980 /nfs/dbraw/zinc/63/29/80/890632980.db2.gz UJCNNKNMHPDILD-SSDOTTSWSA-N 0 3 298.303 -1.425 20 0 CAADHN C[C@H](CN(C)C(=O)CCNC(N)=O)NCC(=O)N(C)C ZINC001423162000 890633202 /nfs/dbraw/zinc/63/32/02/890633202.db2.gz BOOCWGDNALQMPL-SECBINFHSA-N 0 3 287.364 -1.431 20 0 CAADHN CC[C@H](NC1(CNC(=O)CNC(C)=O)CC1)C(N)=O ZINC001423162191 890633578 /nfs/dbraw/zinc/63/35/78/890633578.db2.gz RDQMUEDKUNLSQN-VIFPVBQESA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NCC(N)=O ZINC001423174725 890633624 /nfs/dbraw/zinc/63/36/24/890633624.db2.gz RDGDLVICVJZWEI-QMMMGPOBSA-N 0 3 281.316 -1.684 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)NCC(N)=O ZINC001423180941 890633788 /nfs/dbraw/zinc/63/37/88/890633788.db2.gz DECGDOJKCQNFEX-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ccnc1)NCC(=O)NC(N)=O ZINC001423190606 890638329 /nfs/dbraw/zinc/63/83/29/890638329.db2.gz WORNROSTVIAQMY-VIFPVBQESA-N 0 3 296.331 -1.486 20 0 CAADHN CCNC(=O)CN[C@@H](CO)CNC(=O)Cc1n[nH]c(C)n1 ZINC001423205779 890641262 /nfs/dbraw/zinc/64/12/62/890641262.db2.gz FIZPHNRHVBCUJG-SECBINFHSA-N 0 3 298.347 -2.142 20 0 CAADHN Cc1nc(C(=O)NC[C@H](CO)NCCn2cncn2)co1 ZINC001423210614 890641932 /nfs/dbraw/zinc/64/19/32/890641932.db2.gz MVAJIRPXDOBGPU-SNVBAGLBSA-N 0 3 294.315 -1.045 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](CO)NCCn1nc(C)nc1C ZINC001423214650 890645009 /nfs/dbraw/zinc/64/50/09/890645009.db2.gz WKIGYGOBJDDTEA-BXKDBHETSA-N 0 3 299.375 -1.003 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](CO)NCCn1nc(C)nc1C ZINC001423214656 890644595 /nfs/dbraw/zinc/64/45/95/890644595.db2.gz WKIGYGOBJDDTEA-SKDRFNHKSA-N 0 3 299.375 -1.003 20 0 CAADHN CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001423224975 890647681 /nfs/dbraw/zinc/64/76/81/890647681.db2.gz IHSOBZHSVOBKIW-BDAKNGLRSA-N 0 3 284.316 -1.103 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](CO)NCCn2cncn2)c1 ZINC001423221881 890648016 /nfs/dbraw/zinc/64/80/16/890648016.db2.gz VCYGCLSLRHGYEX-JTQLQIEISA-N 0 3 293.331 -1.608 20 0 CAADHN CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001423224986 890648680 /nfs/dbraw/zinc/64/86/80/890648680.db2.gz IHSOBZHSVOBKIW-IUCAKERBSA-N 0 3 284.316 -1.103 20 0 CAADHN CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001423224993 890649303 /nfs/dbraw/zinc/64/93/03/890649303.db2.gz IHSOBZHSVOBKIW-RKDXNWHRSA-N 0 3 284.316 -1.103 20 0 CAADHN O=C(C[C@@H]1CCS(=O)(=O)C1)NC[C@@H](CO)NCCO ZINC001423241880 890650976 /nfs/dbraw/zinc/65/09/76/890650976.db2.gz IUQUNSKWGUVKPT-UWVGGRQHSA-N 0 3 294.373 -2.130 20 0 CAADHN O=C(CCc1c[nH]cn1)NC[C@H](CO)N[C@@H]1CCNC1=O ZINC001423246576 890651989 /nfs/dbraw/zinc/65/19/89/890651989.db2.gz XWVTYBNQWCJGII-GHMZBOCLSA-N 0 3 295.343 -1.703 20 0 CAADHN O=C(CCc1cnc[nH]1)NC[C@H](CO)N[C@@H]1CCNC1=O ZINC001423246576 890651993 /nfs/dbraw/zinc/65/19/93/890651993.db2.gz XWVTYBNQWCJGII-GHMZBOCLSA-N 0 3 295.343 -1.703 20 0 CAADHN O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@@H](CO)NCCO ZINC001423241892 890652093 /nfs/dbraw/zinc/65/20/93/890652093.db2.gz IUQUNSKWGUVKPT-ZJUUUORDSA-N 0 3 294.373 -2.130 20 0 CAADHN O=C(CCc1c[nH]cn1)NC[C@@H](CO)N[C@H]1CCNC1=O ZINC001423246586 890652216 /nfs/dbraw/zinc/65/22/16/890652216.db2.gz XWVTYBNQWCJGII-QWRGUYRKSA-N 0 3 295.343 -1.703 20 0 CAADHN O=C(CCc1cnc[nH]1)NC[C@@H](CO)N[C@H]1CCNC1=O ZINC001423246586 890652224 /nfs/dbraw/zinc/65/22/24/890652224.db2.gz XWVTYBNQWCJGII-QWRGUYRKSA-N 0 3 295.343 -1.703 20 0 CAADHN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](CO)NCC(N)=O ZINC001423269001 890658509 /nfs/dbraw/zinc/65/85/09/890658509.db2.gz SAFKVTATYUVWKI-SCZZXKLOSA-N 0 3 283.332 -1.860 20 0 CAADHN O=C(NCC1(N[C@@H]2CCCNC2=O)CC1)[C@@H]1CCC(=O)N1 ZINC001423295573 890661159 /nfs/dbraw/zinc/66/11/59/890661159.db2.gz XKWVAMCSYYARAJ-VHSXEESVSA-N 0 3 294.355 -1.218 20 0 CAADHN Cn1nncc1CN[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001423292236 890661564 /nfs/dbraw/zinc/66/15/64/890661564.db2.gz RIAQXHHSTVOULZ-ZETCQYMHSA-N 0 3 280.292 -2.186 20 0 CAADHN Cn1nncc1CN[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001423292236 890661569 /nfs/dbraw/zinc/66/15/69/890661569.db2.gz RIAQXHHSTVOULZ-ZETCQYMHSA-N 0 3 280.292 -2.186 20 0 CAADHN CC[C@@H](NC1(CNC(=O)c2cnn(C)n2)CC1)C(N)=O ZINC001423277554 890661796 /nfs/dbraw/zinc/66/17/96/890661796.db2.gz JIKKRMYFSZCAKH-MRVPVSSYSA-N 0 3 280.332 -1.069 20 0 CAADHN O=C(NC[C@H](CO)NCCO)[C@@H]1CCCS1(=O)=O ZINC001423299856 890663534 /nfs/dbraw/zinc/66/35/34/890663534.db2.gz JZCCEVHQRCKMFM-BDAKNGLRSA-N 0 3 280.346 -2.377 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)COC)[C@@H]1C ZINC001423308893 890663648 /nfs/dbraw/zinc/66/36/48/890663648.db2.gz KGPLFFURJGQXED-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](CO)NCCn2cncn2)n1 ZINC001423304998 890663654 /nfs/dbraw/zinc/66/36/54/890663654.db2.gz NJVJRAIANAGTAM-SNVBAGLBSA-N 0 3 293.331 -1.608 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NC[C@H](CO)NCCO ZINC001423302227 890664846 /nfs/dbraw/zinc/66/48/46/890664846.db2.gz LVHGJQRYGYIEIM-SECBINFHSA-N 0 3 282.362 -2.131 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@@H](CO)NCC(N)=O)C1 ZINC001423299833 890664910 /nfs/dbraw/zinc/66/49/10/890664910.db2.gz JUHBNEVSNKKCRX-VHSXEESVSA-N 0 3 288.348 -2.741 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CS(C)(=O)=O)C1 ZINC001423338323 890666715 /nfs/dbraw/zinc/66/67/15/890666715.db2.gz OCIZXSXVTOCEEI-RKDXNWHRSA-N 0 3 291.373 -1.644 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CN2CCOCC2)C1 ZINC001423343596 890666843 /nfs/dbraw/zinc/66/68/43/890666843.db2.gz TYOHTNCAPIIOEI-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CN2CCOCC2)C1 ZINC001423343584 890666876 /nfs/dbraw/zinc/66/68/76/890666876.db2.gz TYOHTNCAPIIOEI-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CN2CCOCC2)C1 ZINC001423343586 890667020 /nfs/dbraw/zinc/66/70/20/890667020.db2.gz TYOHTNCAPIIOEI-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)c2N)[C@@H]1C ZINC001423330382 890667501 /nfs/dbraw/zinc/66/75/01/890667501.db2.gz NENLWWIPBSVSIB-SCZZXKLOSA-N 0 3 294.359 -1.059 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCn2cncn2)[C@@H]1C ZINC001423318136 890667524 /nfs/dbraw/zinc/66/75/24/890667524.db2.gz QUYDMJAGQPFXBW-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CNC(=O)C2CC2)C1 ZINC001423335166 890667646 /nfs/dbraw/zinc/66/76/46/890667646.db2.gz KOUGRDGKVWFGPD-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)Cn2cncn2)C1 ZINC001423340269 890667666 /nfs/dbraw/zinc/66/76/66/890667666.db2.gz IWZNLKYKBRVDPN-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001423352835 890667779 /nfs/dbraw/zinc/66/77/79/890667779.db2.gz YFQJTFAGYYQKFZ-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001423333672 890667859 /nfs/dbraw/zinc/66/78/59/890667859.db2.gz OGJBPEWTPJQVPL-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001423333676 890668014 /nfs/dbraw/zinc/66/80/14/890668014.db2.gz OGJBPEWTPJQVPL-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)Cn2cncn2)C1 ZINC001423340270 890668189 /nfs/dbraw/zinc/66/81/89/890668189.db2.gz IWZNLKYKBRVDPN-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CS(C)(=O)=O)C1 ZINC001423338318 890668217 /nfs/dbraw/zinc/66/82/17/890668217.db2.gz OCIZXSXVTOCEEI-BDAKNGLRSA-N 0 3 291.373 -1.644 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)[C@@H]1C ZINC001423352831 890668362 /nfs/dbraw/zinc/66/83/62/890668362.db2.gz YFQJTFAGYYQKFZ-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCn2cncn2)[C@@H]1C ZINC001423318139 890668540 /nfs/dbraw/zinc/66/85/40/890668540.db2.gz QUYDMJAGQPFXBW-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001423333027 890668641 /nfs/dbraw/zinc/66/86/41/890668641.db2.gz NOQAHKVULSEHSK-WCBMZHEXSA-N 0 3 294.359 -1.019 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)CCOC ZINC001423401895 890669858 /nfs/dbraw/zinc/66/98/58/890669858.db2.gz FGSQSZIVBWJQHM-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001423426380 890669957 /nfs/dbraw/zinc/66/99/57/890669957.db2.gz FRENCPXCHIWYJS-NSHDSACASA-N 0 3 297.359 -1.043 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)C(C)(C)F ZINC001423424671 890670451 /nfs/dbraw/zinc/67/04/51/890670451.db2.gz XCUUAZKACJULCX-ZETCQYMHSA-N 0 3 292.311 -1.662 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001423418559 890670537 /nfs/dbraw/zinc/67/05/37/890670537.db2.gz PJKHADVPFMZZST-RKDXNWHRSA-N 0 3 283.332 -1.433 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CNCc1cc(=O)n(C)c(=O)n1C ZINC001423404011 890670552 /nfs/dbraw/zinc/67/05/52/890670552.db2.gz HDFMJOXDVPQYCW-NSHDSACASA-N 0 3 298.343 -1.987 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)on1 ZINC001423412372 890670823 /nfs/dbraw/zinc/67/08/23/890670823.db2.gz GQGUQIPIPHGFDB-IUCAKERBSA-N 0 3 284.316 -1.121 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@H]1CCCNC1=O ZINC001423411036 890670855 /nfs/dbraw/zinc/67/08/55/890670855.db2.gz QNYDWWJJPKAZGP-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)CCOC ZINC001423401893 890670930 /nfs/dbraw/zinc/67/09/30/890670930.db2.gz FGSQSZIVBWJQHM-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@H]1CCCNC1=O ZINC001423411040 890671036 /nfs/dbraw/zinc/67/10/36/890671036.db2.gz QNYDWWJJPKAZGP-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)c1ccon1 ZINC001423426424 890671171 /nfs/dbraw/zinc/67/11/71/890671171.db2.gz FYRXJDCDMWDRFK-JTQLQIEISA-N 0 3 296.327 -1.024 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001423418546 890671243 /nfs/dbraw/zinc/67/12/43/890671243.db2.gz PJKHADVPFMZZST-BDAKNGLRSA-N 0 3 283.332 -1.433 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H](N[C@@H](C)C(N)=O)C(C)(C)C1 ZINC001423400184 890671262 /nfs/dbraw/zinc/67/12/62/890671262.db2.gz UZFGZBIHDSTHJL-IUCAKERBSA-N 0 3 299.375 -1.384 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)OC ZINC001423426334 890671388 /nfs/dbraw/zinc/67/13/88/890671388.db2.gz FDWODPWIYRMIJR-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)c1ccon1 ZINC001423426428 890672002 /nfs/dbraw/zinc/67/20/02/890672002.db2.gz FYRXJDCDMWDRFK-SNVBAGLBSA-N 0 3 296.327 -1.024 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnn(C)c1 ZINC001423412316 890672065 /nfs/dbraw/zinc/67/20/65/890672065.db2.gz GOVKOBJYXMCWLF-GHMZBOCLSA-N 0 3 295.343 -1.669 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1nnn(C)n1 ZINC001423452006 890673089 /nfs/dbraw/zinc/67/30/89/890673089.db2.gz DVEVMLLTCLEAEW-LURJTMIESA-N 0 3 271.281 -3.282 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001423444607 890673108 /nfs/dbraw/zinc/67/31/08/890673108.db2.gz SKEVHKFXMQROSU-JTQLQIEISA-N 0 3 297.359 -1.090 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnnn1C ZINC001423448217 890673245 /nfs/dbraw/zinc/67/32/45/890673245.db2.gz ZAPWUWDTWGCLEF-BDAKNGLRSA-N 0 3 296.331 -2.274 20 0 CAADHN COC1CC(C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1 ZINC001423447952 890673377 /nfs/dbraw/zinc/67/33/77/890673377.db2.gz UPGCFETVAZNNMV-KYHHOPLUSA-N 0 3 273.333 -1.694 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001423429026 890673395 /nfs/dbraw/zinc/67/33/95/890673395.db2.gz FLCFUDZSRDPSDV-ONGXEEELSA-N 0 3 297.359 -1.504 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnnn1C ZINC001423448226 890673410 /nfs/dbraw/zinc/67/34/10/890673410.db2.gz ZAPWUWDTWGCLEF-RKDXNWHRSA-N 0 3 296.331 -2.274 20 0 CAADHN COC1CC(C(=O)N(C)C[C@H](O)CNCC(N)=O)C1 ZINC001423447951 890673448 /nfs/dbraw/zinc/67/34/48/890673448.db2.gz UPGCFETVAZNNMV-HWOCKDDLSA-N 0 3 273.333 -1.694 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)c(C)nn1 ZINC001423442060 890673683 /nfs/dbraw/zinc/67/36/83/890673683.db2.gz OJEXEIOVDFZLOQ-JTQLQIEISA-N 0 3 295.343 -1.399 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CC1OCCCO1 ZINC001423439449 890673895 /nfs/dbraw/zinc/67/38/95/890673895.db2.gz CTXLZGQKNBQYKV-SECBINFHSA-N 0 3 289.332 -1.966 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnns1 ZINC001423433924 890673926 /nfs/dbraw/zinc/67/39/26/890673926.db2.gz YKJVHGZIEXROAA-HTQZYQBOSA-N 0 3 299.356 -1.551 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)ncn1 ZINC001423428296 890674338 /nfs/dbraw/zinc/67/43/38/890674338.db2.gz ILXFJSULUOBCIC-SECBINFHSA-N 0 3 281.316 -1.707 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001423450100 890674767 /nfs/dbraw/zinc/67/47/67/890674767.db2.gz ASDAIFIFIGBAQB-JGVFFNPUSA-N 0 3 270.289 -1.839 20 0 CAADHN Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001423445362 890674895 /nfs/dbraw/zinc/67/48/95/890674895.db2.gz PTZSUOSUNQIDLZ-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001423447169 890675019 /nfs/dbraw/zinc/67/50/19/890675019.db2.gz UPXZOHYLQPIZNC-KWBADKCTSA-N 0 3 285.344 -1.822 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001423455799 890676191 /nfs/dbraw/zinc/67/61/91/890676191.db2.gz PDOXZOCLXHSKED-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001423454460 890676375 /nfs/dbraw/zinc/67/63/75/890676375.db2.gz IKBZALXNYIFYNP-MRVPVSSYSA-N 0 3 299.335 -2.631 20 0 CAADHN CCn1ccc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001423467646 890676399 /nfs/dbraw/zinc/67/63/99/890676399.db2.gz MVQCGIFLFVEQPL-VHSXEESVSA-N 0 3 297.359 -1.201 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001423455809 890676523 /nfs/dbraw/zinc/67/65/23/890676523.db2.gz PDOXZOCLXHSKED-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN Cc1ccncc1CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001423468920 890676721 /nfs/dbraw/zinc/67/67/21/890676721.db2.gz RSXCDNVCZNHLCP-GFCCVEGCSA-N 0 3 294.355 -1.173 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001423455179 890676742 /nfs/dbraw/zinc/67/67/42/890676742.db2.gz ASDCKBXWZIHXLP-DTWKUNHWSA-N 0 3 283.332 -1.386 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCCNC1=O)C(=O)c1cnco1 ZINC001423455226 890676881 /nfs/dbraw/zinc/67/68/81/890676881.db2.gz BCTDRDKTARHNBS-NXEZZACHSA-N 0 3 296.327 -1.024 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H](C)NC(N)=O ZINC001423457740 890676932 /nfs/dbraw/zinc/67/69/32/890676932.db2.gz XKCMFLUWCWFBBR-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)c1cc2n(n1)CCO2 ZINC001423466120 890677041 /nfs/dbraw/zinc/67/70/41/890677041.db2.gz HEJLARYXILUANX-VIFPVBQESA-N 0 3 293.327 -1.045 20 0 CAADHN Cc1ncc(CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)o1 ZINC001423462709 890677136 /nfs/dbraw/zinc/67/71/36/890677136.db2.gz KZCINSYPYZYPPX-WPRPVWTQSA-N 0 3 298.343 -1.192 20 0 CAADHN C[C@@H](C(=O)N1CCC[C@@H]1CNCC(N)=O)S(C)(=O)=O ZINC001423474901 890677290 /nfs/dbraw/zinc/67/72/90/890677290.db2.gz YWILOKLBOJDTAZ-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cc1cncn1C ZINC001423473681 890677339 /nfs/dbraw/zinc/67/73/39/890677339.db2.gz AGLKOHKSZKHYMJ-JTQLQIEISA-N 0 3 283.332 -2.143 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCCNC1=O)C(=O)c1cnco1 ZINC001423455234 890677416 /nfs/dbraw/zinc/67/74/16/890677416.db2.gz BCTDRDKTARHNBS-VHSXEESVSA-N 0 3 296.327 -1.024 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001423463502 890677503 /nfs/dbraw/zinc/67/75/03/890677503.db2.gz QNKUAWVTVYPEKQ-APLZJWDSSA-N 0 3 285.344 -1.839 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)n1C ZINC001423457941 890677534 /nfs/dbraw/zinc/67/75/34/890677534.db2.gz SUMIPIYTYGNJNT-WCBMZHEXSA-N 0 3 297.359 -1.375 20 0 CAADHN Cc1ncc(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)o1 ZINC001423468899 890677696 /nfs/dbraw/zinc/67/76/96/890677696.db2.gz RQDCTDOZGOVMDQ-VIFPVBQESA-N 0 3 284.316 -1.580 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1csnn1 ZINC001423461470 890677642 /nfs/dbraw/zinc/67/76/42/890677642.db2.gz IASQVCNWIRUXGB-YUMQZZPRSA-N 0 3 299.356 -1.551 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001423459426 890677712 /nfs/dbraw/zinc/67/77/12/890677712.db2.gz AGALXXKWDNCWRB-QCNOEVLYSA-N 0 3 299.371 -1.291 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001423455186 890677736 /nfs/dbraw/zinc/67/77/36/890677736.db2.gz ASDCKBXWZIHXLP-RKDXNWHRSA-N 0 3 283.332 -1.386 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001423456906 890677797 /nfs/dbraw/zinc/67/77/97/890677797.db2.gz QSLLLQKDTMZDIE-SKDRFNHKSA-N 0 3 291.323 -1.730 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001423466021 890677892 /nfs/dbraw/zinc/67/78/92/890677892.db2.gz ZRSGYKJSKHDTQX-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN Cc1cncn1CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001423462749 890678114 /nfs/dbraw/zinc/67/81/14/890678114.db2.gz RVVMQPNRKZNLBG-MNOVXSKESA-N 0 3 297.359 -1.526 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)C[C@@H](C)NC(N)=O ZINC001423457700 890678415 /nfs/dbraw/zinc/67/84/15/890678415.db2.gz XKCMFLUWCWFBBR-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001423454467 890678386 /nfs/dbraw/zinc/67/83/86/890678386.db2.gz IKBZALXNYIFYNP-QMMMGPOBSA-N 0 3 299.335 -2.631 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1c(C)cnn1C ZINC001423460811 890678400 /nfs/dbraw/zinc/67/84/00/890678400.db2.gz OSHBXYUMWWKYTA-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN CCn1ccc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001423467645 890678454 /nfs/dbraw/zinc/67/84/54/890678454.db2.gz MVQCGIFLFVEQPL-UWVGGRQHSA-N 0 3 297.359 -1.201 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001423487443 890679741 /nfs/dbraw/zinc/67/97/41/890679741.db2.gz PZCUPLJSGOULMW-DTWKUNHWSA-N 0 3 296.331 -2.274 20 0 CAADHN Cc1ccc(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)cn1 ZINC001423484066 890679794 /nfs/dbraw/zinc/67/97/94/890679794.db2.gz KZXQQENVEKISME-LBPRGKRZSA-N 0 3 294.355 -1.173 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001423487255 890679922 /nfs/dbraw/zinc/67/99/22/890679922.db2.gz ZRODGTIMXZISFO-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnon1)C(=O)N(C)C ZINC001423478439 890680262 /nfs/dbraw/zinc/68/02/62/890680262.db2.gz LBZJWHUKHVCVPD-RKDXNWHRSA-N 0 3 299.331 -1.431 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001423477444 890681679 /nfs/dbraw/zinc/68/16/79/890681679.db2.gz KTPMBBNSTBXJCD-SECBINFHSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cnon1)C(=O)N(C)C ZINC001423478436 890681876 /nfs/dbraw/zinc/68/18/76/890681876.db2.gz LBZJWHUKHVCVPD-BDAKNGLRSA-N 0 3 299.331 -1.431 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccn(C)n1 ZINC001423485255 890682619 /nfs/dbraw/zinc/68/26/19/890682619.db2.gz NXLHPWDNMYZESE-VHSXEESVSA-N 0 3 295.343 -1.669 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cncn1C ZINC001423534456 890684611 /nfs/dbraw/zinc/68/46/11/890684611.db2.gz ZPRMXOYBXRJIPR-JTQLQIEISA-N 0 3 270.333 -1.223 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001423521648 890684704 /nfs/dbraw/zinc/68/47/04/890684704.db2.gz GMYAMBIYVCZZIK-BBBLOLIVSA-N 0 3 273.333 -2.149 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001423602923 890684836 /nfs/dbraw/zinc/68/48/36/890684836.db2.gz FIPSJROCUBSMCA-BDAKNGLRSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CNCC(N)=O)C1CCCC1 ZINC001423542119 890685022 /nfs/dbraw/zinc/68/50/22/890685022.db2.gz QXVBWYKJOIIBQK-SNVBAGLBSA-N 0 3 299.375 -1.335 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001423521640 890685469 /nfs/dbraw/zinc/68/54/69/890685469.db2.gz GMYAMBIYVCZZIK-AEJSXWLSSA-N 0 3 273.333 -2.149 20 0 CAADHN C[C@]1(NC(=O)Cc2nnc[nH]2)CCN([C@H]2CCNC2=O)C1 ZINC001423582961 890686607 /nfs/dbraw/zinc/68/66/07/890686607.db2.gz IVLSABNPABOOCU-ZANVPECISA-N 0 3 292.343 -1.184 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001423524023 890686699 /nfs/dbraw/zinc/68/66/99/890686699.db2.gz NVSIRIRSDFMWKO-JTQLQIEISA-N 0 3 270.333 -1.223 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001423551454 890686922 /nfs/dbraw/zinc/68/69/22/890686922.db2.gz UWKSRSRDSRTECO-WDEREUQCSA-N 0 3 287.360 -1.649 20 0 CAADHN Cc1c(CC(=O)NC[C@@]2(O)CCN(CCO)C2)cnn1C ZINC001423770496 890692057 /nfs/dbraw/zinc/69/20/57/890692057.db2.gz SXPCUVIZLGNDDZ-AWEZNQCLSA-N 0 3 296.371 -1.184 20 0 CAADHN CCn1ccc(CC(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001423763376 890692416 /nfs/dbraw/zinc/69/24/16/890692416.db2.gz MSXPLPYIAZDRDC-CQSZACIVSA-N 0 3 296.371 -1.009 20 0 CAADHN Cn1cnc(C(=O)NC[C@@]2(O)CCN(CCO)C2)cc1=O ZINC001423759565 890692511 /nfs/dbraw/zinc/69/25/11/890692511.db2.gz NWNJXRKABCFBSJ-ZDUSSCGKSA-N 0 3 296.327 -2.061 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@]1(O)CCN(CCO)C1 ZINC001423752425 890692623 /nfs/dbraw/zinc/69/26/23/890692623.db2.gz STJWJBONMGAVPE-JTQLQIEISA-N 0 3 270.293 -2.782 20 0 CAADHN C[C@H](C(=O)NC[C@]1(O)CCN(CCO)C1)n1cccn1 ZINC001423753561 890693191 /nfs/dbraw/zinc/69/31/91/890693191.db2.gz NXTRLUHHQWICLK-DGCLKSJQSA-N 0 3 282.344 -1.011 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001423744013 890693347 /nfs/dbraw/zinc/69/33/47/890693347.db2.gz IKOQMFZYVQCNNH-CYBMUJFWSA-N 0 3 296.327 -1.005 20 0 CAADHN O=C(CCc1nnc[n-]1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001423769424 890693600 /nfs/dbraw/zinc/69/36/00/890693600.db2.gz SCXIBFXSTJPRTH-GFCCVEGCSA-N 0 3 283.332 -1.717 20 0 CAADHN O=C(CCc1nnc[n-]1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001423769424 890693607 /nfs/dbraw/zinc/69/36/07/890693607.db2.gz SCXIBFXSTJPRTH-GFCCVEGCSA-N 0 3 283.332 -1.717 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001423744016 890693925 /nfs/dbraw/zinc/69/39/25/890693925.db2.gz IKOQMFZYVQCNNH-ZDUSSCGKSA-N 0 3 296.327 -1.005 20 0 CAADHN O=C(CCc1nnc[n-]1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001423769427 890695389 /nfs/dbraw/zinc/69/53/89/890695389.db2.gz SCXIBFXSTJPRTH-LBPRGKRZSA-N 0 3 283.332 -1.717 20 0 CAADHN O=C(CCc1nnc[n-]1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001423769427 890695396 /nfs/dbraw/zinc/69/53/96/890695396.db2.gz SCXIBFXSTJPRTH-LBPRGKRZSA-N 0 3 283.332 -1.717 20 0 CAADHN Cn1cc(CCC(=O)NC[C@@]2(O)CCN(CCO)C2)cn1 ZINC001423797253 890696586 /nfs/dbraw/zinc/69/65/86/890696586.db2.gz DTAWACFXGUYRCZ-AWEZNQCLSA-N 0 3 296.371 -1.102 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001423801654 890697306 /nfs/dbraw/zinc/69/73/06/890697306.db2.gz XBJVVBDUUNJHSZ-SMDDNHRTSA-N 0 3 299.371 -1.457 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001423801645 890697822 /nfs/dbraw/zinc/69/78/22/890697822.db2.gz XBJVVBDUUNJHSZ-BXUZGUMPSA-N 0 3 299.371 -1.457 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001423779822 890697970 /nfs/dbraw/zinc/69/79/70/890697970.db2.gz WOSBHDZBMXDOCM-WZUGGRCDSA-N 0 3 296.367 -1.045 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001423796296 890698813 /nfs/dbraw/zinc/69/88/13/890698813.db2.gz XLALBXXPVPYBQC-VDDIYKPWSA-N 0 3 271.317 -2.347 20 0 CAADHN CC[C@@H](C(=O)NC[C@]1(O)CCN(CC(N)=O)C1)N(C)C ZINC001423798521 890699104 /nfs/dbraw/zinc/69/91/04/890699104.db2.gz ODBPHANADIYTKW-GXFFZTMASA-N 0 3 286.376 -1.635 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@](O)(CNC(=O)CN2CCCC2)C1 ZINC001423802552 890699261 /nfs/dbraw/zinc/69/92/61/890699261.db2.gz ROELEGYEELETCJ-SMDDNHRTSA-N 0 3 298.387 -1.491 20 0 CAADHN O=C(Cc1nnc[nH]1)NCC1(O)CN(C[C@@H]2CCOC2)C1 ZINC001423885135 890711083 /nfs/dbraw/zinc/71/10/83/890711083.db2.gz DVFVDZTWGYNQLU-JTQLQIEISA-N 0 3 295.343 -1.453 20 0 CAADHN CC(=O)NCC(=O)N[C@@]1(CO)CCCN(C[C@H](C)O)C1 ZINC001424005603 890713566 /nfs/dbraw/zinc/71/35/66/890713566.db2.gz BHORZOKDHBLWGF-GWCFXTLKSA-N 0 3 287.360 -1.554 20 0 CAADHN CC(=O)NCC(=O)N[C@]1(CO)CCCN(C[C@H](C)O)C1 ZINC001424005606 890716641 /nfs/dbraw/zinc/71/66/41/890716641.db2.gz BHORZOKDHBLWGF-GXFFZTMASA-N 0 3 287.360 -1.554 20 0 CAADHN Cc1cnn(C)c1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001424045309 890717693 /nfs/dbraw/zinc/71/76/93/890717693.db2.gz PHBUYSTYHOQBNT-SNVBAGLBSA-N 0 3 297.359 -1.374 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)[C@]12C[C@H]1COC2)C(N)=O ZINC001424051039 890717749 /nfs/dbraw/zinc/71/77/49/890717749.db2.gz RZKHUXLLCRUARO-MJVIPROJSA-N 0 3 299.371 -1.303 20 0 CAADHN CC(F)(F)C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001424064825 890717828 /nfs/dbraw/zinc/71/78/28/890717828.db2.gz HPVOGYZMMCDOSK-QMMMGPOBSA-N 0 3 279.287 -1.059 20 0 CAADHN Cc1ccnn1CC(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001424057472 890717882 /nfs/dbraw/zinc/71/78/82/890717882.db2.gz ZBSAUDOXQMYRJF-NSHDSACASA-N 0 3 297.359 -1.524 20 0 CAADHN O=C([C@@H]1CCOC1)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001424072651 890717935 /nfs/dbraw/zinc/71/79/35/890717935.db2.gz SUYXWKMPBHEWES-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1c[nH]nc1C ZINC001424048741 890717956 /nfs/dbraw/zinc/71/79/56/890717956.db2.gz XICZGOFOFFCQIW-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cnn(C)n1)C(N)=O ZINC001424058107 890718471 /nfs/dbraw/zinc/71/84/71/890718471.db2.gz ZQEOVNHUQUSOOC-QMMMGPOBSA-N 0 3 284.320 -2.287 20 0 CAADHN O=C(Cc1cc[nH]n1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001424059392 890718600 /nfs/dbraw/zinc/71/86/00/890718600.db2.gz AJSIEOFTCFGKGS-LLVKDONJSA-N 0 3 295.343 -1.749 20 0 CAADHN Cc1c(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)cnn1C ZINC001424067928 890718916 /nfs/dbraw/zinc/71/89/16/890718916.db2.gz LGHOMTXENHZRGJ-VIFPVBQESA-N 0 3 297.359 -1.374 20 0 CAADHN COC(=O)NCC(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001424068122 890719136 /nfs/dbraw/zinc/71/91/36/890719136.db2.gz MAQMSPMQQQNEAC-QMMMGPOBSA-N 0 3 290.320 -2.373 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1c[nH]nc1C ZINC001424048743 890719306 /nfs/dbraw/zinc/71/93/06/890719306.db2.gz XICZGOFOFFCQIW-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cn(C)nn1 ZINC001424042634 890719738 /nfs/dbraw/zinc/71/97/38/890719738.db2.gz AGQBQSCLVPDAJZ-VIFPVBQESA-N 0 3 298.347 -2.026 20 0 CAADHN Cc1nccn1CC(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001424043117 890720125 /nfs/dbraw/zinc/72/01/25/890720125.db2.gz ACGLVRLZLWPSFS-JTQLQIEISA-N 0 3 297.359 -1.524 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cn(C)cn1 ZINC001424049046 890720174 /nfs/dbraw/zinc/72/01/74/890720174.db2.gz MFQQBVZYGBXTID-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN O=C(c1ncc[nH]1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001424044004 890720411 /nfs/dbraw/zinc/72/04/11/890720411.db2.gz CSNNEZYVQDEOJN-SECBINFHSA-N 0 3 281.316 -1.678 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H]1COCCN1CC(N)=O ZINC001424124296 890720478 /nfs/dbraw/zinc/72/04/78/890720478.db2.gz JHJWKVTZCFFAIQ-NSHDSACASA-N 0 3 286.376 -1.371 20 0 CAADHN Cc1nccn1CC(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001424043127 890720658 /nfs/dbraw/zinc/72/06/58/890720658.db2.gz ACGLVRLZLWPSFS-SNVBAGLBSA-N 0 3 297.359 -1.524 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NCCN(CCO)C(C)=O ZINC001424064971 890720775 /nfs/dbraw/zinc/72/07/75/890720775.db2.gz JBALLRIRLDCORI-VIFPVBQESA-N 0 3 288.348 -1.349 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CCC1 ZINC001424197398 890721592 /nfs/dbraw/zinc/72/15/92/890721592.db2.gz YOKJAPRXVCJGJP-VHSXEESVSA-N 0 3 296.371 -1.128 20 0 CAADHN Cn1nncc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001424222607 890721925 /nfs/dbraw/zinc/72/19/25/890721925.db2.gz SMUKKLIKQCNQCI-QMMMGPOBSA-N 0 3 282.304 -2.269 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)Cn2cnnn2)CCC1 ZINC001424157892 890722015 /nfs/dbraw/zinc/72/20/15/890722015.db2.gz XMAQBPXWQJSKSG-UHFFFAOYSA-N 0 3 295.347 -1.562 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1)C(N)=O ZINC001424218568 890722173 /nfs/dbraw/zinc/72/21/73/890722173.db2.gz KTIQTTVLPKJYIT-RKDXNWHRSA-N 0 3 297.319 -2.636 20 0 CAADHN Cc1cnn(CC(=O)N2CCO[C@@H](CNCC(N)=O)C2)c1 ZINC001424214982 890722582 /nfs/dbraw/zinc/72/25/82/890722582.db2.gz BSNWREINHVFIIC-NSHDSACASA-N 0 3 295.343 -1.506 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)CC(C)(C)O)CCO1)C(N)=O ZINC001424215158 890722609 /nfs/dbraw/zinc/72/26/09/890722609.db2.gz DAARUHKFGAXORQ-UWVGGRQHSA-N 0 3 287.360 -1.162 20 0 CAADHN COCC(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001424142238 890722767 /nfs/dbraw/zinc/72/27/67/890722767.db2.gz SDZNPECAJYFRFQ-UHFFFAOYSA-N 0 3 272.305 -1.544 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H]1CN(C(=O)C(F)F)CCO1 ZINC001424225960 890722817 /nfs/dbraw/zinc/72/28/17/890722817.db2.gz BOTLIHAXTRZWPJ-ZCFIWIBFSA-N 0 3 294.258 -1.737 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 ZINC001424193923 890722925 /nfs/dbraw/zinc/72/29/25/890722925.db2.gz DTWWPQIISFLLEB-SECBINFHSA-N 0 3 297.359 -1.568 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)CCC1 ZINC001424197391 890722991 /nfs/dbraw/zinc/72/29/91/890722991.db2.gz YOKJAPRXVCJGJP-UWVGGRQHSA-N 0 3 296.371 -1.128 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)CCC1 ZINC001424197383 890723404 /nfs/dbraw/zinc/72/34/04/890723404.db2.gz YOKJAPRXVCJGJP-NXEZZACHSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)Cn2ncnn2)CCO1)C(N)=O ZINC001424218564 890723776 /nfs/dbraw/zinc/72/37/76/890723776.db2.gz KTIQTTVLPKJYIT-BDAKNGLRSA-N 0 3 297.319 -2.636 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cnccn2)CCO1)C(N)=O ZINC001424223878 890723879 /nfs/dbraw/zinc/72/38/79/890723879.db2.gz FZUOUWGDMRIZKE-UWVGGRQHSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1)C(N)=O ZINC001424218565 890724284 /nfs/dbraw/zinc/72/42/84/890724284.db2.gz KTIQTTVLPKJYIT-DTWKUNHWSA-N 0 3 297.319 -2.636 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2c[nH]c(C)n2)CCO1 ZINC001424220866 890724516 /nfs/dbraw/zinc/72/45/16/890724516.db2.gz MWFZHCSKLLGWQU-JTQLQIEISA-N 0 3 295.343 -1.105 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2csnn2)CCO1)C(N)=O ZINC001424234571 890725898 /nfs/dbraw/zinc/72/58/98/890725898.db2.gz DPUXQTRZBGTFRC-HTQZYQBOSA-N 0 3 299.356 -1.158 20 0 CAADHN Cn1c(C(=O)N2CCO[C@H](CNCC(N)=O)C2)c[nH]c1=O ZINC001424248514 890726170 /nfs/dbraw/zinc/72/61/70/890726170.db2.gz VDCUNRFIYZVTCS-MRVPVSSYSA-N 0 3 297.315 -1.958 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001424252344 890726721 /nfs/dbraw/zinc/72/67/21/890726721.db2.gz ZPAQIVLIWDKIBO-QMMMGPOBSA-N 0 3 282.304 -1.971 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)CCO1 ZINC001424233339 890726935 /nfs/dbraw/zinc/72/69/35/890726935.db2.gz XDUNFGCIZJHWLL-VHSXEESVSA-N 0 3 298.343 -2.043 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001424240148 890727934 /nfs/dbraw/zinc/72/79/34/890727934.db2.gz PRGCLNZZJTUHTD-SNVBAGLBSA-N 0 3 293.327 -1.347 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@H]1C ZINC001424485317 890733060 /nfs/dbraw/zinc/73/30/60/890733060.db2.gz NTUDOSLFUNLJOM-KOLCDFICSA-N 0 3 284.360 -1.353 20 0 CAADHN COCC(=O)N1CCC(O)(CNCC(=O)NC2CC2)CC1 ZINC001424511674 890733755 /nfs/dbraw/zinc/73/37/55/890733755.db2.gz UYRIVXITGYPLCT-UHFFFAOYSA-N 0 3 299.371 -1.146 20 0 CAADHN C[C@@H]1CN(C(=O)C(F)F)C[C@@H]1NCC(=O)NC(N)=O ZINC001424451948 890734294 /nfs/dbraw/zinc/73/42/94/890734294.db2.gz CFZPRDXLYGMFEQ-RITPCOANSA-N 0 3 278.259 -1.117 20 0 CAADHN C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCC(=O)N(C)C ZINC001424461884 890734323 /nfs/dbraw/zinc/73/43/23/890734323.db2.gz DKINGYNODMGIHH-VHSXEESVSA-N 0 3 294.359 -1.047 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001424482617 890734346 /nfs/dbraw/zinc/73/43/46/890734346.db2.gz KDNVALHHGKMULM-JGVFFNPUSA-N 0 3 292.361 -2.543 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC001424489205 890734534 /nfs/dbraw/zinc/73/45/34/890734534.db2.gz YBWWRIFADJEGCX-VHSXEESVSA-N 0 3 299.375 -1.512 20 0 CAADHN Cn1nnc(C(=O)N2CCC(O)(CNCC(N)=O)CC2)n1 ZINC001424546302 890736133 /nfs/dbraw/zinc/73/61/33/890736133.db2.gz QJEBGAINOWBZLO-UHFFFAOYSA-N 0 3 297.319 -2.748 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)Cc2ccon2)CC1 ZINC001424546859 890736350 /nfs/dbraw/zinc/73/63/50/890736350.db2.gz LQTGFOMEMUCQBH-UHFFFAOYSA-N 0 3 296.327 -1.355 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2cocn2)CC1 ZINC001424553432 890737913 /nfs/dbraw/zinc/73/79/13/890737913.db2.gz YXFIGAJVKHSNFN-UHFFFAOYSA-N 0 3 282.300 -1.283 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001424677847 890738819 /nfs/dbraw/zinc/73/88/19/890738819.db2.gz WSTSIMOSWMFQDL-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CCCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001424741283 890739107 /nfs/dbraw/zinc/73/91/07/890739107.db2.gz CZUQDBSOPSVLLX-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@H]1CN[C@H]1CCNC1=O ZINC001424670408 890739148 /nfs/dbraw/zinc/73/91/48/890739148.db2.gz MZDXOTKVTQKVOP-RYUDHWBXSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NC(=O)CN1CCCC1=O)[C@H](C)NCC(N)=O ZINC001424744144 890739270 /nfs/dbraw/zinc/73/92/70/890739270.db2.gz GNZGXQGZYVCRRK-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001424762946 890739457 /nfs/dbraw/zinc/73/94/57/890739457.db2.gz FZUQKBQHIPGDTG-HTQZYQBOSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CN1CCCC1=O ZINC001424744149 890740007 /nfs/dbraw/zinc/74/00/07/890740007.db2.gz GNZGXQGZYVCRRK-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCC(=O)NCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001424636597 890740606 /nfs/dbraw/zinc/74/06/06/890740606.db2.gz KPTWARVADYESHM-UHFFFAOYSA-N 0 3 287.360 -1.552 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001424749791 890741737 /nfs/dbraw/zinc/74/17/37/890741737.db2.gz JNDDPNPGVOMCDQ-BDAKNGLRSA-N 0 3 293.389 -1.398 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001424754324 890742023 /nfs/dbraw/zinc/74/20/23/890742023.db2.gz WSAMXQJEJZFQGE-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001424796048 890742796 /nfs/dbraw/zinc/74/27/96/890742796.db2.gz XBEBEOKWTGDMLE-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](NC(=O)CN1CCCNC1=O)[C@H](C)NCC(N)=O ZINC001424796044 890743248 /nfs/dbraw/zinc/74/32/48/890743248.db2.gz XBEBEOKWTGDMLE-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001424763744 890743590 /nfs/dbraw/zinc/74/35/90/890743590.db2.gz GNLMSYOSEXCQBD-RKDXNWHRSA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001424763724 890744233 /nfs/dbraw/zinc/74/42/33/890744233.db2.gz GNLMSYOSEXCQBD-BDAKNGLRSA-N 0 3 284.360 -1.259 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCNS(C)(=O)=O ZINC001424779616 890744532 /nfs/dbraw/zinc/74/45/32/890744532.db2.gz OBXIBRXVSSWHFR-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)c1ncn(C)n1 ZINC001424769111 890745939 /nfs/dbraw/zinc/74/59/39/890745939.db2.gz YDNPCEJMZOCGIY-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](NC(=O)Cn1cncn1)[C@H](C)NCC(=O)N1CCC1 ZINC001424847596 890746012 /nfs/dbraw/zinc/74/60/12/890746012.db2.gz GHQLTKGKQWYFMQ-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCOCC1 ZINC001424788877 890746033 /nfs/dbraw/zinc/74/60/33/890746033.db2.gz UOKZMKHAKYRKAJ-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCOCC1 ZINC001424788881 890746142 /nfs/dbraw/zinc/74/61/42/890746142.db2.gz UOKZMKHAKYRKAJ-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H](C)N(C)CCO ZINC001424952759 890748079 /nfs/dbraw/zinc/74/80/79/890748079.db2.gz VFFDFVWODNGOSB-VHSXEESVSA-N 0 3 295.405 -1.257 20 0 CAADHN C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)N(C)CCO ZINC001425070733 890750146 /nfs/dbraw/zinc/75/01/46/890750146.db2.gz ORSMSCQYMFGHLN-MRVPVSSYSA-N 0 3 284.320 -2.194 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)C1CN(C[C@@H](C)O)C1 ZINC001425232182 890758562 /nfs/dbraw/zinc/75/85/62/890758562.db2.gz QSBCUGBJQKQKFL-RKDXNWHRSA-N 0 3 272.349 -1.267 20 0 CAADHN CCN1CC([C@@H](C)NC(=O)CNS(=O)(=O)NC)C1 ZINC001425247745 890758838 /nfs/dbraw/zinc/75/88/38/890758838.db2.gz WGWLJCOEDDYUBS-MRVPVSSYSA-N 0 3 278.378 -1.503 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](CO)NC(=O)Cc1nc[nH]c1C ZINC001425312505 890769363 /nfs/dbraw/zinc/76/93/63/890769363.db2.gz IRLWLDFDLNXNTM-NXEZZACHSA-N 0 3 298.343 -1.111 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2csnn2)CCO1 ZINC001425357740 890771074 /nfs/dbraw/zinc/77/10/74/890771074.db2.gz KAAUAJFSMDBOFA-IONNQARKSA-N 0 3 299.356 -1.158 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001425344117 890771712 /nfs/dbraw/zinc/77/17/12/890771712.db2.gz AENLYBWFJLSHFO-VXNVDRBHSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2csnn2)CCO1 ZINC001425357735 890771917 /nfs/dbraw/zinc/77/19/17/890771917.db2.gz KAAUAJFSMDBOFA-APPZFPTMSA-N 0 3 299.356 -1.158 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnns2)CCO1 ZINC001425361378 890774189 /nfs/dbraw/zinc/77/41/89/890774189.db2.gz LFBGSMLGZOALSW-JGVFFNPUSA-N 0 3 299.356 -1.158 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001425363044 890774934 /nfs/dbraw/zinc/77/49/34/890774934.db2.gz OYPLKKNUCVZLCO-ONGXEEELSA-N 0 3 295.343 -1.357 20 0 CAADHN CCOCC(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001425451424 890778744 /nfs/dbraw/zinc/77/87/44/890778744.db2.gz GWOYCFJXNHZMEV-SNVBAGLBSA-N 0 3 298.343 -1.110 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](CO)NC(=O)c1ncc[nH]1 ZINC001425458348 890779229 /nfs/dbraw/zinc/77/92/29/890779229.db2.gz YUWZCHWNJFAIQV-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN CCOCC(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001425451419 890780455 /nfs/dbraw/zinc/78/04/55/890780455.db2.gz GWOYCFJXNHZMEV-JTQLQIEISA-N 0 3 298.343 -1.110 20 0 CAADHN CN(C(=O)Cn1cnnn1)[C@@H](CNCC(N)=O)C1CC1 ZINC001425475573 890782586 /nfs/dbraw/zinc/78/25/86/890782586.db2.gz YAABKTNDUNPJIA-VIFPVBQESA-N 0 3 281.320 -2.015 20 0 CAADHN CCCN(C)CC(=O)N[C@H](CO)CNC(=O)c1cnon1 ZINC001425491664 890782641 /nfs/dbraw/zinc/78/26/41/890782641.db2.gz UKCXGZOPFQBVKE-VIFPVBQESA-N 0 3 299.331 -1.382 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](CO)CNC(=O)c1cnon1 ZINC001425491662 890784267 /nfs/dbraw/zinc/78/42/67/890784267.db2.gz UKCXGZOPFQBVKE-SECBINFHSA-N 0 3 299.331 -1.382 20 0 CAADHN CN(C(=O)Cn1ncnn1)[C@H](CNCC(N)=O)C1CC1 ZINC001425485169 890784838 /nfs/dbraw/zinc/78/48/38/890784838.db2.gz GRZOSFNHFPIXQW-SECBINFHSA-N 0 3 281.320 -2.015 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001425529036 890786057 /nfs/dbraw/zinc/78/60/57/890786057.db2.gz XTRVOINNAXWJSD-QWRGUYRKSA-N 0 3 296.371 -1.162 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O)C1 ZINC001425550012 890786242 /nfs/dbraw/zinc/78/62/42/890786242.db2.gz BSMRDKXDZBFBDE-DTWKUNHWSA-N 0 3 284.360 -1.225 20 0 CAADHN COC[C@H](C)C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O ZINC001425548956 890787056 /nfs/dbraw/zinc/78/70/56/890787056.db2.gz QSFDVRZNYNAKSI-IUCAKERBSA-N 0 3 288.348 -1.100 20 0 CAADHN COCC(=O)N(C)C[C@H](C)NCc1nc(=O)n(C)[nH]1 ZINC001425507062 890787231 /nfs/dbraw/zinc/78/72/31/890787231.db2.gz ISIBCNKVUGXNLG-QMMMGPOBSA-N 0 3 271.321 -1.309 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn[nH]c1)NCC(=O)NC(N)=O ZINC001425537205 890787705 /nfs/dbraw/zinc/78/77/05/890787705.db2.gz ZZKFETSSMXMHCH-SSDOTTSWSA-N 0 3 282.304 -1.345 20 0 CAADHN COCC(=O)N(C)C[C@@H](C)NCc1nc(=O)n(C)[nH]1 ZINC001425507057 890787891 /nfs/dbraw/zinc/78/78/91/890787891.db2.gz ISIBCNKVUGXNLG-MRVPVSSYSA-N 0 3 271.321 -1.309 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)COC ZINC001425512917 890788331 /nfs/dbraw/zinc/78/83/31/890788331.db2.gz XSJNPPQLOHUQIO-RKDXNWHRSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001425521333 890788401 /nfs/dbraw/zinc/78/84/01/890788401.db2.gz WEFFKJNRMLXOMM-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnn(C)c1N)N[C@@H]1CCNC1=O ZINC001425536207 890788910 /nfs/dbraw/zinc/78/89/10/890788910.db2.gz CFBHGBWTAJRZAJ-PSASIEDQSA-N 0 3 294.359 -1.059 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)COC ZINC001425512906 890789174 /nfs/dbraw/zinc/78/91/74/890789174.db2.gz XSJNPPQLOHUQIO-DTWKUNHWSA-N 0 3 288.348 -1.087 20 0 CAADHN CCCNC(=O)CN[C@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001425606158 890790598 /nfs/dbraw/zinc/79/05/98/890790598.db2.gz VWLMWZIGTISOIP-SECBINFHSA-N 0 3 297.363 -1.214 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccc(C(N)=O)o1)NCC(N)=O ZINC001425610343 890790849 /nfs/dbraw/zinc/79/08/49/890790849.db2.gz IAPJCWQXYXCXQJ-SSDOTTSWSA-N 0 3 282.300 -1.086 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccc2n[nH]nc2n1)NCC(N)=O ZINC001425551383 890791407 /nfs/dbraw/zinc/79/14/07/890791407.db2.gz CWHTXYWCFFWBRI-SSDOTTSWSA-N 0 3 291.315 -1.112 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O ZINC001425608522 890791568 /nfs/dbraw/zinc/79/15/68/890791568.db2.gz AGXZQFWDKWEFIS-ZETCQYMHSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](CN(C)C(=O)c1nnn(C)n1)N[C@H]1CCCNC1=O ZINC001425606832 890792758 /nfs/dbraw/zinc/79/27/58/890792758.db2.gz ZIMNQNIIAQBXEI-BDAKNGLRSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)Cn1cncn1 ZINC001425691142 890793583 /nfs/dbraw/zinc/79/35/83/890793583.db2.gz SPAWPENLMHOWJC-UWVGGRQHSA-N 0 3 282.348 -1.151 20 0 CAADHN CCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001425635245 890793612 /nfs/dbraw/zinc/79/36/12/890793612.db2.gz VBHXGODHTLAQHO-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC[C@@H](CO)NCC(=O)NC1CC1 ZINC001425708720 890794805 /nfs/dbraw/zinc/79/48/05/890794805.db2.gz GLIAKTBTLBQNCT-NWDGAFQWSA-N 0 3 298.387 -1.574 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC[C@H](CO)NCC(=O)NC1CC1 ZINC001425708733 890795727 /nfs/dbraw/zinc/79/57/27/890795727.db2.gz GLIAKTBTLBQNCT-VXGBXAGGSA-N 0 3 298.387 -1.574 20 0 CAADHN CN1CCC[C@H]1C(=O)NC[C@@H](CO)NCC(=O)NC1CC1 ZINC001425708727 890796742 /nfs/dbraw/zinc/79/67/42/890796742.db2.gz GLIAKTBTLBQNCT-RYUDHWBXSA-N 0 3 298.387 -1.574 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)C1CC1 ZINC001425708882 890796911 /nfs/dbraw/zinc/79/69/11/890796911.db2.gz CBEGCTMOKXZZRC-JTQLQIEISA-N 0 3 270.333 -1.512 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)NCC(N)=O ZINC001425704531 890797146 /nfs/dbraw/zinc/79/71/46/890797146.db2.gz WIJSAEPFNTUGHR-ZJUUUORDSA-N 0 3 294.359 -1.238 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCc2nncn2C1)NCC(N)=O ZINC001425704526 890797284 /nfs/dbraw/zinc/79/72/84/890797284.db2.gz WIJSAEPFNTUGHR-UWVGGRQHSA-N 0 3 294.359 -1.238 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)c1cocn1 ZINC001425717524 890798205 /nfs/dbraw/zinc/79/82/05/890798205.db2.gz XJLZQEAXZJZYAB-VIFPVBQESA-N 0 3 297.315 -1.620 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001425713020 890798266 /nfs/dbraw/zinc/79/82/66/890798266.db2.gz NRVOEMJQFWCWQB-ONGXEEELSA-N 0 3 298.347 -2.131 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCCC1=O)c1cn[nH]c1 ZINC001425719389 890798370 /nfs/dbraw/zinc/79/83/70/890798370.db2.gz VGABSSVNRVDFQS-NSHDSACASA-N 0 3 295.343 -1.288 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCCC1=O)c1cn[nH]c1 ZINC001425719386 890799205 /nfs/dbraw/zinc/79/92/05/890799205.db2.gz VGABSSVNRVDFQS-LLVKDONJSA-N 0 3 295.343 -1.288 20 0 CAADHN O=C(NC[C@@H](CO)NC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001425717066 890801059 /nfs/dbraw/zinc/80/10/59/890801059.db2.gz NAAXGUSRFYVQAB-KOLCDFICSA-N 0 3 290.385 -1.102 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001425713016 890801107 /nfs/dbraw/zinc/80/11/07/890801107.db2.gz NRVOEMJQFWCWQB-MWLCHTKSSA-N 0 3 298.347 -2.131 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1cn[nH]c1 ZINC001425718100 890801433 /nfs/dbraw/zinc/80/14/33/890801433.db2.gz UGJRYKNMIVAUPE-JTQLQIEISA-N 0 3 279.304 -1.618 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)C(F)F ZINC001425727411 890804591 /nfs/dbraw/zinc/80/45/91/890804591.db2.gz YYJCEYDQLDBSHI-SSDOTTSWSA-N 0 3 280.275 -1.657 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@H]1COC(=O)N1 ZINC001425735540 890806018 /nfs/dbraw/zinc/80/60/18/890806018.db2.gz AARRCRDGRRXDGF-RKDXNWHRSA-N 0 3 298.303 -2.547 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)CCc1c[nH]cn1 ZINC001425752277 890809828 /nfs/dbraw/zinc/80/98/28/890809828.db2.gz DGTJHQXEIWMTSU-KOLCDFICSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)CCc1cnc[nH]1 ZINC001425752277 890809840 /nfs/dbraw/zinc/80/98/40/890809840.db2.gz DGTJHQXEIWMTSU-KOLCDFICSA-N 0 3 297.359 -1.457 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](CO)NCCC(F)(F)F ZINC001425748399 890811431 /nfs/dbraw/zinc/81/14/31/890811431.db2.gz AWUYTOKAXSYZBN-SSDOTTSWSA-N 0 3 296.253 -1.308 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](CO)NCc1ccccc1 ZINC001425756141 890814268 /nfs/dbraw/zinc/81/42/68/890814268.db2.gz NOCWUAFDZFHIRF-GFCCVEGCSA-N 0 3 290.327 -1.060 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001425780907 890818857 /nfs/dbraw/zinc/81/88/57/890818857.db2.gz XRNABBYFBCOXAN-VIFPVBQESA-N 0 3 296.331 -1.974 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)Cn1cncc1C ZINC001425788527 890819566 /nfs/dbraw/zinc/81/95/66/890819566.db2.gz UVZQENCRRVSXAZ-QWRGUYRKSA-N 0 3 297.359 -1.607 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NCc1cnnn1C)N(C)C ZINC001425809165 890820458 /nfs/dbraw/zinc/82/04/58/890820458.db2.gz XWYYEEPDTQSQOM-JQWIXIFHSA-N 0 3 298.391 -1.278 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC[C@H](CO)NCC(=O)N1CCC1 ZINC001425789865 890820617 /nfs/dbraw/zinc/82/06/17/890820617.db2.gz HZNDSMFNSRRAOD-VXGBXAGGSA-N 0 3 298.387 -1.620 20 0 CAADHN O=C(Cc1cnoc1)NC[C@@H](CO)NCCn1cncn1 ZINC001425796965 890820628 /nfs/dbraw/zinc/82/06/28/890820628.db2.gz LJFXMXLZBSTOHT-NSHDSACASA-N 0 3 294.315 -1.425 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NCc1ncnn1C)N(C)C ZINC001425795876 890821021 /nfs/dbraw/zinc/82/10/21/890821021.db2.gz CCTUUZAPLFXOIR-QWRGUYRKSA-N 0 3 298.391 -1.278 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001425809345 890825653 /nfs/dbraw/zinc/82/56/53/890825653.db2.gz PHKYTYJHQCBEQR-SNVBAGLBSA-N 0 3 294.315 -1.045 20 0 CAADHN Cn1ccnc1CN[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001425817624 890826130 /nfs/dbraw/zinc/82/61/30/890826130.db2.gz QMJYBIMFSMIRRW-QMMMGPOBSA-N 0 3 279.304 -1.581 20 0 CAADHN Cn1ccnc1CN[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001425817624 890826138 /nfs/dbraw/zinc/82/61/38/890826138.db2.gz QMJYBIMFSMIRRW-QMMMGPOBSA-N 0 3 279.304 -1.581 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@@H](CO)NCc1cnon1 ZINC001425837349 890827569 /nfs/dbraw/zinc/82/75/69/890827569.db2.gz JUPHJXJMPXTDOQ-JTQLQIEISA-N 0 3 294.315 -1.089 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cnnn2C)[C@H]1C ZINC001425864285 890832867 /nfs/dbraw/zinc/83/28/67/890832867.db2.gz ODSHTBJJOWHDFA-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)[C@@H]1C ZINC001425863897 890833701 /nfs/dbraw/zinc/83/37/01/890833701.db2.gz GAXRCWNXHGJJLG-JOYOIKCWSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCNC(=O)NC)[C@@H]1C ZINC001425866069 890834109 /nfs/dbraw/zinc/83/41/09/890834109.db2.gz UFSGDYLGLGJCHL-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2cnn(C)n2)C1 ZINC001425903575 890835069 /nfs/dbraw/zinc/83/50/69/890835069.db2.gz MURHVIPLRDFZDL-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](O)CNCc1cncn1C ZINC001425973005 890835094 /nfs/dbraw/zinc/83/50/94/890835094.db2.gz RONYJUMUNRDUCV-LBPRGKRZSA-N 0 3 297.359 -1.535 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCn2cnnn2)C1 ZINC001425905613 890835263 /nfs/dbraw/zinc/83/52/63/890835263.db2.gz PBNLXXSKKXXFJT-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)CCn1cncn1)C(N)=O ZINC001425975363 890835590 /nfs/dbraw/zinc/83/55/90/890835590.db2.gz UGCSXIJBFJTPPV-UWVGGRQHSA-N 0 3 298.347 -2.049 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001425944926 890835915 /nfs/dbraw/zinc/83/59/15/890835915.db2.gz JPGVWUAMKFDIIN-JTQLQIEISA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001425963262 890835942 /nfs/dbraw/zinc/83/59/42/890835942.db2.gz LOHSOQTZTOJPHI-BDAKNGLRSA-N 0 3 284.360 -1.190 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnccn1 ZINC001425967863 890836040 /nfs/dbraw/zinc/83/60/40/890836040.db2.gz JCRLLIOEZWUEER-UWVGGRQHSA-N 0 3 293.327 -1.612 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cccnc1 ZINC001425975422 890836135 /nfs/dbraw/zinc/83/61/35/890836135.db2.gz VYRXTEARESMGLJ-VXGBXAGGSA-N 0 3 292.339 -1.007 20 0 CAADHN CCCNC(=O)NC(=O)CNC[C@H](O)CN(C)C(C)=O ZINC001425972085 890836484 /nfs/dbraw/zinc/83/64/84/890836484.db2.gz ACFYNDDBDDZYCO-JTQLQIEISA-N 0 3 288.348 -1.349 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)CCn1cncn1)C(N)=O ZINC001425975360 890836810 /nfs/dbraw/zinc/83/68/10/890836810.db2.gz UGCSXIJBFJTPPV-NXEZZACHSA-N 0 3 298.347 -2.049 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2cnn(C)n2)C1 ZINC001425903580 890837185 /nfs/dbraw/zinc/83/71/85/890837185.db2.gz MURHVIPLRDFZDL-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@@H]1C ZINC001425874039 890837436 /nfs/dbraw/zinc/83/74/36/890837436.db2.gz GNHSAJSROHBNRO-RKDXNWHRSA-N 0 3 295.347 -1.461 20 0 CAADHN CCCNC(=O)NC(=O)CNC[C@@H](O)CN(C)C(C)=O ZINC001425972093 890837573 /nfs/dbraw/zinc/83/75/73/890837573.db2.gz ACFYNDDBDDZYCO-SNVBAGLBSA-N 0 3 288.348 -1.349 20 0 CAADHN CCn1nccc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001425991151 890838876 /nfs/dbraw/zinc/83/88/76/890838876.db2.gz AXLRIYDJAYXJOV-UWVGGRQHSA-N 0 3 297.359 -1.201 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)ncn1 ZINC001425986515 890839110 /nfs/dbraw/zinc/83/91/10/890839110.db2.gz KYIDMTKQFVZQNY-ZJUUUORDSA-N 0 3 295.343 -1.319 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)C1=COCCC1)C(N)=O ZINC001425980217 890839431 /nfs/dbraw/zinc/83/94/31/890839431.db2.gz ITUDKEYWPJUJGP-ONGXEEELSA-N 0 3 285.344 -1.037 20 0 CAADHN CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001425979217 890839521 /nfs/dbraw/zinc/83/95/21/890839521.db2.gz OWDPHIHCMNOPBF-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1cncn1 ZINC001425996030 890839555 /nfs/dbraw/zinc/83/95/55/890839555.db2.gz HQYIVTDTYVUFBN-IUCAKERBSA-N 0 3 284.320 -2.267 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)CCc1c[nH]cn1)C(N)=O ZINC001425998954 890839657 /nfs/dbraw/zinc/83/96/57/890839657.db2.gz FTTFXYXHBWZUEN-ONGXEEELSA-N 0 3 297.359 -1.375 20 0 CAADHN CCn1nccc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001425991167 890839818 /nfs/dbraw/zinc/83/98/18/890839818.db2.gz AXLRIYDJAYXJOV-ZJUUUORDSA-N 0 3 297.359 -1.201 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ccnn1C)C(N)=O ZINC001425985113 890840011 /nfs/dbraw/zinc/84/00/11/890840011.db2.gz ULCBYKQCRQKGFI-DTWKUNHWSA-N 0 3 283.332 -1.684 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cc1cnn(C)c1)C(N)=O ZINC001425980920 890840359 /nfs/dbraw/zinc/84/03/59/890840359.db2.gz JZYWXFNAVDUFOZ-ONGXEEELSA-N 0 3 297.359 -1.755 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001425989372 890840449 /nfs/dbraw/zinc/84/04/49/890840449.db2.gz OGLXWMACYZJUJN-QMMMGPOBSA-N 0 3 296.331 -2.173 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ccnn1C)C(N)=O ZINC001425985085 890840545 /nfs/dbraw/zinc/84/05/45/890840545.db2.gz ULCBYKQCRQKGFI-BDAKNGLRSA-N 0 3 283.332 -1.684 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cc1cnn(C)c1)C(N)=O ZINC001425980902 890840630 /nfs/dbraw/zinc/84/06/30/890840630.db2.gz JZYWXFNAVDUFOZ-KOLCDFICSA-N 0 3 297.359 -1.755 20 0 CAADHN COCCC(=O)N(C)C[C@@H](O)CN[C@H]1CCCNC1=O ZINC001425979780 890840712 /nfs/dbraw/zinc/84/07/12/890840712.db2.gz LQDDKRSPXWKNGJ-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCCOC1 ZINC001425980682 890840908 /nfs/dbraw/zinc/84/09/08/890840908.db2.gz JJZWAVOXQMEVLR-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cc1cnn(C)c1 ZINC001425986588 890841070 /nfs/dbraw/zinc/84/10/70/890841070.db2.gz XZXBXUOTGZOJEX-JTQLQIEISA-N 0 3 283.332 -2.143 20 0 CAADHN C[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)n1cncn1 ZINC001425996033 890841115 /nfs/dbraw/zinc/84/11/15/890841115.db2.gz HQYIVTDTYVUFBN-RKDXNWHRSA-N 0 3 284.320 -2.267 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@H]2CCNC2=O)on1 ZINC001425976151 890841193 /nfs/dbraw/zinc/84/11/93/890841193.db2.gz CEVPQIRQITUJTM-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)CCc1c[nH]cn1)C(N)=O ZINC001425998942 890841336 /nfs/dbraw/zinc/84/13/36/890841336.db2.gz FTTFXYXHBWZUEN-KOLCDFICSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)[C@@H]1CCOC1 ZINC001425985437 890841686 /nfs/dbraw/zinc/84/16/86/890841686.db2.gz VASJNGBOSYSPIA-NEPJUHHUSA-N 0 3 299.371 -1.336 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)CCc1c[nH]cn1)C(N)=O ZINC001425998949 890842112 /nfs/dbraw/zinc/84/21/12/890842112.db2.gz FTTFXYXHBWZUEN-MWLCHTKSSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cn2c(n1)CCC2 ZINC001426017253 890843059 /nfs/dbraw/zinc/84/30/59/890843059.db2.gz QSCWYTZRNIWFQE-SECBINFHSA-N 0 3 295.343 -1.663 20 0 CAADHN Cc1nocc1C(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001426033954 890843632 /nfs/dbraw/zinc/84/36/32/890843632.db2.gz XHKGTRSMITWBSO-MWLCHTKSSA-N 0 3 296.327 -1.106 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001426002601 890843705 /nfs/dbraw/zinc/84/37/05/890843705.db2.gz HRTHCCHVTCSULU-VIFPVBQESA-N 0 3 298.347 -2.074 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCn1cccc1 ZINC001426023380 890843973 /nfs/dbraw/zinc/84/39/73/890843973.db2.gz IIPBDWKSWNSQKG-NSHDSACASA-N 0 3 282.344 -1.228 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001426016971 890844039 /nfs/dbraw/zinc/84/40/39/890844039.db2.gz SAAPSWLLXAMIFJ-IUCAKERBSA-N 0 3 286.332 -2.499 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1ncccn1 ZINC001426028758 890844243 /nfs/dbraw/zinc/84/42/43/890844243.db2.gz VKXBTCSIJCARGD-JTQLQIEISA-N 0 3 295.343 -1.697 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cnnn1C)C(N)=O ZINC001426012043 890844593 /nfs/dbraw/zinc/84/45/93/890844593.db2.gz SILGMANGMSIUOI-YUMQZZPRSA-N 0 3 284.320 -2.289 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cnnn1C)C(N)=O ZINC001426012036 890844927 /nfs/dbraw/zinc/84/49/27/890844927.db2.gz SILGMANGMSIUOI-SFYZADRCSA-N 0 3 284.320 -2.289 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001426017588 890845119 /nfs/dbraw/zinc/84/51/19/890845119.db2.gz ZAKBRPSFVOEITJ-DTWKUNHWSA-N 0 3 298.347 -2.028 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001426029662 890845224 /nfs/dbraw/zinc/84/52/24/890845224.db2.gz FDUILLCHNDJTQR-BDAKNGLRSA-N 0 3 283.332 -1.386 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CCn1ccnc1 ZINC001426027554 890845472 /nfs/dbraw/zinc/84/54/72/890845472.db2.gz ZZGFBTUKCNLJHU-NSHDSACASA-N 0 3 297.359 -1.572 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ncn(C)n1)C(N)=O ZINC001426017942 890845529 /nfs/dbraw/zinc/84/55/29/890845529.db2.gz ZUGMAGLAVCGCQU-SFYZADRCSA-N 0 3 284.320 -2.289 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001426015355 890845573 /nfs/dbraw/zinc/84/55/73/890845573.db2.gz OYLDQVMHDPZOSM-HTQZYQBOSA-N 0 3 274.321 -2.608 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001426015400 890845800 /nfs/dbraw/zinc/84/58/00/890845800.db2.gz IGAVPDQJLBLWOY-ONGXEEELSA-N 0 3 295.343 -1.371 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001426017601 890845825 /nfs/dbraw/zinc/84/58/25/890845825.db2.gz ZAKBRPSFVOEITJ-RKDXNWHRSA-N 0 3 298.347 -2.028 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C[C@H]1CCOC1 ZINC001426026944 890845987 /nfs/dbraw/zinc/84/59/87/890845987.db2.gz LGTSNYWGSGTWBZ-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001426041402 890846962 /nfs/dbraw/zinc/84/69/62/890846962.db2.gz WQWOUMOEQPHEKX-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccc(=O)[nH]c1 ZINC001426035237 890847019 /nfs/dbraw/zinc/84/70/19/890847019.db2.gz CKKYPMAAFFNSMM-SECBINFHSA-N 0 3 282.300 -1.705 20 0 CAADHN CCn1nc(C)cc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001426035788 890848038 /nfs/dbraw/zinc/84/80/38/890848038.db2.gz PLIISCGQHJRVPV-JTQLQIEISA-N 0 3 297.359 -1.281 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001426059650 890848211 /nfs/dbraw/zinc/84/82/11/890848211.db2.gz XFYPDKSZBGCRRJ-VIFPVBQESA-N 0 3 283.332 -1.811 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001426060461 890848236 /nfs/dbraw/zinc/84/82/36/890848236.db2.gz VLNPOWMHHJZQGB-IUCAKERBSA-N 0 3 283.332 -1.386 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001426060193 890848262 /nfs/dbraw/zinc/84/82/62/890848262.db2.gz UMURUJKBOMSPEA-ZJUUUORDSA-N 0 3 295.343 -1.371 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001426057631 890849349 /nfs/dbraw/zinc/84/93/49/890849349.db2.gz HODXRHNTJJMSII-MNOVXSKESA-N 0 3 276.333 -1.855 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1nonc1C ZINC001426056240 890849390 /nfs/dbraw/zinc/84/93/90/890849390.db2.gz OLQGDPXXMDVWHE-RKDXNWHRSA-N 0 3 299.331 -1.465 20 0 CAADHN Cc1nccc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001426046858 890849432 /nfs/dbraw/zinc/84/94/32/890849432.db2.gz CXALPAYAPQHHIJ-PSASIEDQSA-N 0 3 295.343 -1.319 20 0 CAADHN Cc1n[nH]c(C)c1CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001426037008 890849457 /nfs/dbraw/zinc/84/94/57/890849457.db2.gz IBLMZXZASPGFQH-SNVBAGLBSA-N 0 3 297.359 -1.537 20 0 CAADHN COc1cncc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001426043672 890849492 /nfs/dbraw/zinc/84/94/92/890849492.db2.gz YLFQYDJDCZFENC-MRVPVSSYSA-N 0 3 297.315 -2.007 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]c1 ZINC001426043432 890849537 /nfs/dbraw/zinc/84/95/37/890849537.db2.gz YAXGUIOBKFWGLY-SNVBAGLBSA-N 0 3 296.327 -1.444 20 0 CAADHN CCc1nc[nH]c1C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001426050389 890849607 /nfs/dbraw/zinc/84/96/07/890849607.db2.gz UZNRCUHZONXJSI-SECBINFHSA-N 0 3 297.359 -1.259 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001426041305 890849996 /nfs/dbraw/zinc/84/99/96/890849996.db2.gz WOLUVTMTERHNPO-LLVKDONJSA-N 0 3 295.343 -1.365 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001426037381 890850292 /nfs/dbraw/zinc/85/02/92/890850292.db2.gz QEDOYXQBOMPVCI-RKDXNWHRSA-N 0 3 286.332 -2.451 20 0 CAADHN COc1cccnc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001426045719 890850328 /nfs/dbraw/zinc/85/03/28/890850328.db2.gz OSZPRVQNBJBNHS-VIFPVBQESA-N 0 3 296.327 -1.402 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001426041396 890850372 /nfs/dbraw/zinc/85/03/72/890850372.db2.gz WQWOUMOEQPHEKX-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccc(=O)[nH]c1 ZINC001426035242 890851007 /nfs/dbraw/zinc/85/10/07/890851007.db2.gz CKKYPMAAFFNSMM-VIFPVBQESA-N 0 3 282.300 -1.705 20 0 CAADHN COCCN(CCO)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001426154140 890852001 /nfs/dbraw/zinc/85/20/01/890852001.db2.gz HHCZTZYWUSQWNC-LBPRGKRZSA-N 0 3 289.376 -1.626 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cccn(C)c1=O ZINC001426103227 890853338 /nfs/dbraw/zinc/85/33/38/890853338.db2.gz YKWQPLKASXSTFQ-NSHDSACASA-N 0 3 297.355 -1.258 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001426080383 890854238 /nfs/dbraw/zinc/85/42/38/890854238.db2.gz LBNDRDDERFYGCK-WYUUTHIRSA-N 0 3 272.345 -1.378 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1O ZINC001426508324 890856628 /nfs/dbraw/zinc/85/66/28/890856628.db2.gz VEBFUSPXPBVTJK-GHMZBOCLSA-N 0 3 299.371 -1.195 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)Nc2cnn(C)c(=O)c2)C1 ZINC001426354668 890857931 /nfs/dbraw/zinc/85/79/31/890857931.db2.gz WHOHENZRQFFVJW-GFCCVEGCSA-N 0 3 281.316 -1.032 20 0 CAADHN COCC(=O)N1C[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001426662017 890862566 /nfs/dbraw/zinc/86/25/66/890862566.db2.gz GPBCTWKTGXFIFV-MNOVXSKESA-N 0 3 287.360 -1.339 20 0 CAADHN COCCN(C)CCNC(=O)NC[C@H]1CNC(=O)C1 ZINC001426836096 890867330 /nfs/dbraw/zinc/86/73/30/890867330.db2.gz OVQXGUBGMLDJKT-SNVBAGLBSA-N 0 3 272.349 -1.000 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@@H]2CCCNC2=O)C1 ZINC001427681513 890876370 /nfs/dbraw/zinc/87/63/70/890876370.db2.gz FRGQHWOJTLMWRQ-GWCFXTLKSA-N 0 3 284.360 -1.122 20 0 CAADHN CC[C@H](C(=O)N[C@H](CO)CNC(=O)[C@H](C)OC)N(C)C ZINC001427755738 890885995 /nfs/dbraw/zinc/88/59/95/890885995.db2.gz CVOMSRIIVHPQBH-GARJFASQSA-N 0 3 289.376 -1.045 20 0 CAADHN CCN(CC)CC(=O)N[C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001427777268 890888746 /nfs/dbraw/zinc/88/87/46/890888746.db2.gz UHKGCKRLUYWZJT-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN CC[C@H](C(=O)N[C@H](CO)CNC(=O)c1ccn[nH]1)N(C)C ZINC001427765407 890889225 /nfs/dbraw/zinc/88/92/25/890889225.db2.gz CLEUZCZTMCMNTJ-GXSJLCMTSA-N 0 3 297.359 -1.043 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)c1ncc[nH]1 ZINC001427850987 890893250 /nfs/dbraw/zinc/89/32/50/890893250.db2.gz BVCPOEWJZRXFIN-JTQLQIEISA-N 0 3 297.359 -1.043 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)c1cnon1 ZINC001427918019 890898088 /nfs/dbraw/zinc/89/80/88/890898088.db2.gz GADYCQYXPOKZNC-VIFPVBQESA-N 0 3 299.331 -1.383 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001428498540 890918239 /nfs/dbraw/zinc/91/82/39/890918239.db2.gz FSHRUPBVUGBGLJ-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](C)CNC(=O)Cn1ncnn1)N(C)C ZINC001428632820 890920138 /nfs/dbraw/zinc/92/01/38/890920138.db2.gz LOPBLNRUOKQDLW-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001428642765 890921260 /nfs/dbraw/zinc/92/12/60/890921260.db2.gz ZELOFZLMQUEDAE-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001428754225 890921675 /nfs/dbraw/zinc/92/16/75/890921675.db2.gz FTSUUYDWVNCGPK-SECBINFHSA-N 0 3 297.363 -1.215 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](C)NC(=O)CNC(N)=O ZINC001428640080 890922551 /nfs/dbraw/zinc/92/25/51/890922551.db2.gz DSSXJVWCLZAYIQ-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001428642768 890922896 /nfs/dbraw/zinc/92/28/96/890922896.db2.gz ZELOFZLMQUEDAE-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CN(CCNC(=O)Cn1cnnn1)C(=O)[C@H]1CCCN1C ZINC001429154830 890932440 /nfs/dbraw/zinc/93/24/40/890932440.db2.gz RXRWILQCUGNGOH-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001429229793 890934085 /nfs/dbraw/zinc/93/40/85/890934085.db2.gz YGEXNWIKAZVPEU-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CCN(CC)CC(=O)N(C)CCNC(=O)Cn1ncnn1 ZINC001429268769 890935413 /nfs/dbraw/zinc/93/54/13/890935413.db2.gz CNZAVPFMOJYPSD-UHFFFAOYSA-N 0 3 297.363 -1.411 20 0 CAADHN CCCN(C)CC(=O)N(C)CCNC(=O)Cn1ncnn1 ZINC001429270402 890936512 /nfs/dbraw/zinc/93/65/12/890936512.db2.gz MAAAGPAJAAGZBU-UHFFFAOYSA-N 0 3 297.363 -1.411 20 0 CAADHN CN(CCNC(=O)[C@@H]1CNC(=O)N1)C(=O)[C@@H]1CCCN1C ZINC001429458255 890939536 /nfs/dbraw/zinc/93/95/36/890939536.db2.gz PGBGFOIFEOWUCP-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001429536938 890940428 /nfs/dbraw/zinc/94/04/28/890940428.db2.gz HYEIADPTSRUVKQ-NXEZZACHSA-N 0 3 297.359 -1.534 20 0 CAADHN CC(=O)NCC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001430097023 890944038 /nfs/dbraw/zinc/94/40/38/890944038.db2.gz NAYNAJFQCGIFSF-LBPRGKRZSA-N 0 3 296.371 -1.065 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)Cn2cncn2)C1 ZINC001430216293 890948880 /nfs/dbraw/zinc/94/88/80/890948880.db2.gz MYOZKCLNSYMBJS-UHFFFAOYSA-N 0 3 294.359 -1.055 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001430752228 890959665 /nfs/dbraw/zinc/95/96/65/890959665.db2.gz FAKXLPLYCNQCPO-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN COCCC(=O)NC[C@@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001431454231 890971273 /nfs/dbraw/zinc/97/12/73/890971273.db2.gz FYCVQSMRSFJGIA-SNVBAGLBSA-N 0 3 298.343 -1.110 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001431728700 890989319 /nfs/dbraw/zinc/98/93/19/890989319.db2.gz CFYGNTQVIBEODW-OPRDCNLKSA-N 0 3 299.375 -1.371 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)CCNC(N)=O)C1 ZINC001432301183 890999588 /nfs/dbraw/zinc/99/95/88/890999588.db2.gz DXJSNXOMZCXYNV-UHFFFAOYSA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001432350102 891002256 /nfs/dbraw/zinc/00/22/56/891002256.db2.gz MHORMWHBJAEBCC-SECBINFHSA-N 0 3 297.359 -1.677 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2CN(C(=O)CNC(N)=O)C2)C1 ZINC001432350105 891002436 /nfs/dbraw/zinc/00/24/36/891002436.db2.gz MHORMWHBJAEBCC-VIFPVBQESA-N 0 3 297.359 -1.677 20 0 CAADHN CC(C)N(C)CC(=O)N(C)C1CN(C(=O)CNC(N)=O)C1 ZINC001432402227 891006665 /nfs/dbraw/zinc/00/66/65/891006665.db2.gz IEGKMWXYLUMMKX-UHFFFAOYSA-N 0 3 299.375 -1.336 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001433604512 891037347 /nfs/dbraw/zinc/03/73/47/891037347.db2.gz CFYGNTQVIBEODW-GUBZILKMSA-N 0 3 299.375 -1.371 20 0 CAADHN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1nc[nH]n1 ZINC001433875877 891062138 /nfs/dbraw/zinc/06/21/38/891062138.db2.gz HJBJDYQSRBFOMD-QMMMGPOBSA-N 0 3 278.272 -1.029 20 0 CAADHN Cn1nnc(C(=O)N2CC(CN3CCN(C)CC3)C2)n1 ZINC001434014185 891072067 /nfs/dbraw/zinc/07/20/67/891072067.db2.gz XLBRJWRHUVEICO-UHFFFAOYSA-N 0 3 279.348 -1.471 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@H]1CN2CCC1CC2)C(N)=O ZINC001434331407 891104110 /nfs/dbraw/zinc/10/41/10/891104110.db2.gz QGHYQDMDGDTWEA-QWRGUYRKSA-N 0 3 282.344 -1.423 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N[C@H]1CN(C)CC1(C)C ZINC001434379328 891112088 /nfs/dbraw/zinc/11/20/88/891112088.db2.gz BCOAOJZDTOYPTA-VIFPVBQESA-N 0 3 292.405 -1.161 20 0 CAADHN CC(C)N1CC[C@H](N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)C1=O ZINC001434482578 891120579 /nfs/dbraw/zinc/12/05/79/891120579.db2.gz NRVDHLHHUHTOTL-GUBZILKMSA-N 0 3 282.344 -1.486 20 0 CAADHN NC(=O)NC(=O)CCCN1CCN(Cc2nc[nH]n2)CC1 ZINC001434478531 891120176 /nfs/dbraw/zinc/12/01/76/891120176.db2.gz RVUHLAXQSWMNLP-UHFFFAOYSA-N 0 3 295.347 -1.103 20 0 CAADHN NC(=O)NC(=O)CCCN1CCN(Cc2nnc[nH]2)CC1 ZINC001434478531 891120178 /nfs/dbraw/zinc/12/01/78/891120178.db2.gz RVUHLAXQSWMNLP-UHFFFAOYSA-N 0 3 295.347 -1.103 20 0 CAADHN COC(=O)Cn1cc(CCN2C[C@H](O)C[C@]2(C)CO)nn1 ZINC001434481004 891120207 /nfs/dbraw/zinc/12/02/07/891120207.db2.gz OJXGVAKXTGUXER-DGCLKSJQSA-N 0 3 298.343 -1.189 20 0 CAADHN COC(=O)Cn1cc(CCN2C[C@@H](O)C[C@]2(C)CO)nn1 ZINC001434481006 891121612 /nfs/dbraw/zinc/12/16/12/891121612.db2.gz OJXGVAKXTGUXER-WCQYABFASA-N 0 3 298.343 -1.189 20 0 CAADHN NC(=O)[C@](O)(CN1CC[C@@H](O)[C@@H](O)C1)c1ccccc1 ZINC001434481284 891121635 /nfs/dbraw/zinc/12/16/35/891121635.db2.gz DHNWJXUSUIOBME-DYEKYZERSA-N 0 3 280.324 -1.213 20 0 CAADHN NC(=O)C1(NCCc2c[nH]nn2)CCS(=O)(=O)CC1 ZINC001434483766 891123674 /nfs/dbraw/zinc/12/36/74/891123674.db2.gz VBAROPTZPGGAMB-UHFFFAOYSA-N 0 3 287.345 -1.631 20 0 CAADHN COCCN(C)CCNC(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC001434770492 891135940 /nfs/dbraw/zinc/13/59/40/891135940.db2.gz NAUPENQKIWFJSZ-WDEREUQCSA-N 0 3 275.349 -1.441 20 0 CAADHN CN1CCCN(C(=O)NC[C@H]2CC(C(N)=O)=NO2)CC1 ZINC001434799196 891139690 /nfs/dbraw/zinc/13/96/90/891139690.db2.gz JUPCVMJZOIBJKH-SECBINFHSA-N 0 3 283.332 -1.036 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001436465456 891150158 /nfs/dbraw/zinc/15/01/58/891150158.db2.gz PXFUALCYBXRKTD-MXWKQRLJSA-N 0 3 298.347 -1.741 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001436449561 891150330 /nfs/dbraw/zinc/15/03/30/891150330.db2.gz KDFIRMLXAQHWQN-GFCCVEGCSA-N 0 3 287.360 -1.600 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001436465549 891150777 /nfs/dbraw/zinc/15/07/77/891150777.db2.gz PXFUALCYBXRKTD-VWYCJHECSA-N 0 3 298.347 -1.741 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(N)=O ZINC001436659987 891153187 /nfs/dbraw/zinc/15/31/87/891153187.db2.gz MEDDWYATYCNMJW-KOLCDFICSA-N 0 3 284.360 -1.033 20 0 CAADHN CN1CCC[C@H]1C(=O)NCCN1CCN(CCO)CC1 ZINC001436699031 891153397 /nfs/dbraw/zinc/15/33/97/891153397.db2.gz JTLBYUKTYMEFRL-ZDUSSCGKSA-N 0 3 284.404 -1.193 20 0 CAADHN O=C(CCc1nnc[nH]1)NCCN1CCN(CCO)CC1 ZINC001436697397 891153428 /nfs/dbraw/zinc/15/34/28/891153428.db2.gz FHUSCANERUYZME-UHFFFAOYSA-N 0 3 296.375 -1.537 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)NCC(N)=O ZINC001436659978 891153771 /nfs/dbraw/zinc/15/37/71/891153771.db2.gz MEDDWYATYCNMJW-GXSJLCMTSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)NCC(N)=O ZINC001436667254 891153966 /nfs/dbraw/zinc/15/39/66/891153966.db2.gz JNNPPUIBKWIWTP-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCCN1CCN(CCNC(=O)Cn2ncnn2)CC1 ZINC001436713701 891154742 /nfs/dbraw/zinc/15/47/42/891154742.db2.gz VOXVPTPVGUTXKN-UHFFFAOYSA-N 0 3 281.364 -1.183 20 0 CAADHN CC(C)N1CCN(CCNC(=O)Cn2cnnn2)CC1 ZINC001436697541 891154752 /nfs/dbraw/zinc/15/47/52/891154752.db2.gz UCVISVQSMQGVNE-UHFFFAOYSA-N 0 3 281.364 -1.185 20 0 CAADHN CNC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)NCC(N)=O ZINC001436667257 891154840 /nfs/dbraw/zinc/15/48/40/891154840.db2.gz JNNPPUIBKWIWTP-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001436765488 891155799 /nfs/dbraw/zinc/15/57/99/891155799.db2.gz DXSHUEBGFDQICV-XCBNKYQSSA-N 0 3 270.333 -1.519 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H](C)NC(C)=O)C1CC1 ZINC001436768442 891156008 /nfs/dbraw/zinc/15/60/08/891156008.db2.gz OBAIJGAPDWPJMR-KWQFWETISA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001436860244 891156213 /nfs/dbraw/zinc/15/62/13/891156213.db2.gz SBFAMCBUIKMAKS-JTQLQIEISA-N 0 3 270.333 -1.599 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CCn1cnnn1)C1CC1 ZINC001436830037 891156228 /nfs/dbraw/zinc/15/62/28/891156228.db2.gz STFOOKLULYYKHK-SECBINFHSA-N 0 3 281.320 -1.967 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001436791927 891156268 /nfs/dbraw/zinc/15/62/68/891156268.db2.gz NMOSWTCWULLQAE-QMMMGPOBSA-N 0 3 271.321 -2.115 20 0 CAADHN CCCC(=O)N[C@H]1C[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001436881776 891156312 /nfs/dbraw/zinc/15/63/12/891156312.db2.gz JFHHLURUJISUIZ-XYPYZODXSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001436878054 891156420 /nfs/dbraw/zinc/15/64/20/891156420.db2.gz VSZSTPOOVDMCIX-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CN1CCCC1=O)C1CC1 ZINC001436770386 891156431 /nfs/dbraw/zinc/15/64/31/891156431.db2.gz PZCHBGNCXZUBNE-SNVBAGLBSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001436800733 891156543 /nfs/dbraw/zinc/15/65/43/891156543.db2.gz SKEQMRZJXYGHCY-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN CS(=O)(=O)CCC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001436794516 891156548 /nfs/dbraw/zinc/15/65/48/891156548.db2.gz FBMVBFFWCRZQGM-VIFPVBQESA-N 0 3 291.373 -1.609 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001436879722 891156580 /nfs/dbraw/zinc/15/65/80/891156580.db2.gz AVCRXXRWDUKZER-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001436870951 891156586 /nfs/dbraw/zinc/15/65/86/891156586.db2.gz QFBULWLQVWPHBQ-VIFPVBQESA-N 0 3 294.311 -1.071 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CN1CCCC1=O)C1CC1 ZINC001436770363 891156609 /nfs/dbraw/zinc/15/66/09/891156609.db2.gz PZCHBGNCXZUBNE-JTQLQIEISA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001436868375 891156819 /nfs/dbraw/zinc/15/68/19/891156819.db2.gz KKXXPNYVIKXDMB-UWVGGRQHSA-N 0 3 282.344 -1.599 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC1=O ZINC001436799126 891156835 /nfs/dbraw/zinc/15/68/35/891156835.db2.gz YGQWMHYVKYSMRA-VHSXEESVSA-N 0 3 282.344 -1.566 20 0 CAADHN Cn1cncc1CC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001436823469 891156949 /nfs/dbraw/zinc/15/69/49/891156949.db2.gz CBNHIEPKTBLBAD-NSHDSACASA-N 0 3 279.344 -1.068 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(CCCF)C1 ZINC001436731405 891157094 /nfs/dbraw/zinc/15/70/94/891157094.db2.gz VSYIBYMWMPIHSG-VIFPVBQESA-N 0 3 296.368 -1.410 20 0 CAADHN CCOCC(=O)NC[C@H](NCC(=O)NC(N)=O)C1CC1 ZINC001436769452 891157261 /nfs/dbraw/zinc/15/72/61/891157261.db2.gz RVPIPJASEHRMDR-VIFPVBQESA-N 0 3 286.332 -1.298 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001437052085 891160764 /nfs/dbraw/zinc/16/07/64/891160764.db2.gz ZEFKDAZTVHVOQK-SECBINFHSA-N 0 3 293.327 -1.161 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)NCC(=O)NCC(C)C ZINC001437099270 891160823 /nfs/dbraw/zinc/16/08/23/891160823.db2.gz SMDQNXLPXXIXHI-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CN(C)C(C)=O ZINC001437107640 891160881 /nfs/dbraw/zinc/16/08/81/891160881.db2.gz LFFUMHWKZNGTBE-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)CCNC(N)=O ZINC001437052677 891160950 /nfs/dbraw/zinc/16/09/50/891160950.db2.gz MIOCFXVVLGPZLK-SECBINFHSA-N 0 3 285.348 -1.499 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1=O)NCC(=O)N(C)C ZINC001437109905 891161195 /nfs/dbraw/zinc/16/11/95/891161195.db2.gz RIHKWJVVGKOTCL-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001437051786 891161250 /nfs/dbraw/zinc/16/12/50/891161250.db2.gz WSTSIMOSWMFQDL-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COCCO1)NCC(=O)NC1CC1 ZINC001437109475 891161289 /nfs/dbraw/zinc/16/12/89/891161289.db2.gz QOLKJBQNSQQOMH-KOLCDFICSA-N 0 3 285.344 -1.225 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CNC(=O)C1CC1 ZINC001437103422 891161660 /nfs/dbraw/zinc/16/16/60/891161660.db2.gz BZXUOPZCHUXFSV-RKDXNWHRSA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cnn(C)c1 ZINC001437111119 891161708 /nfs/dbraw/zinc/16/17/08/891161708.db2.gz VBCXYOOSXUAHLX-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COCCO1)NCC(=O)NC1CC1 ZINC001437109477 891161742 /nfs/dbraw/zinc/16/17/42/891161742.db2.gz QOLKJBQNSQQOMH-MWLCHTKSSA-N 0 3 285.344 -1.225 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001437049102 891161929 /nfs/dbraw/zinc/16/19/29/891161929.db2.gz ITRMVZQTIBYJOF-UWVGGRQHSA-N 0 3 284.360 -1.046 20 0 CAADHN C[C@H](CNC(=O)c1cnsn1)NCC(=O)NC(N)=O ZINC001437111286 891162062 /nfs/dbraw/zinc/16/20/62/891162062.db2.gz OLCUKBKGGPDAIW-RXMQYKEDSA-N 0 3 286.317 -1.559 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)c2cn[n-]n2)C1 ZINC001437016773 891162126 /nfs/dbraw/zinc/16/21/26/891162126.db2.gz YDQSPFFVHZAADZ-VIFPVBQESA-N 0 3 280.332 -1.008 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)N[C@@H](C)C(N)=O ZINC001437108071 891162902 /nfs/dbraw/zinc/16/29/02/891162902.db2.gz OVSWJHBMVSPPLZ-YUMQZZPRSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001437108069 891162934 /nfs/dbraw/zinc/16/29/34/891162934.db2.gz OVSWJHBMVSPPLZ-JGVFFNPUSA-N 0 3 270.333 -1.519 20 0 CAADHN CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001437067412 891163149 /nfs/dbraw/zinc/16/31/49/891163149.db2.gz JCVWUHWKYDEHLN-RNWYCLNJSA-N 0 3 281.356 -1.062 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001437153797 891163931 /nfs/dbraw/zinc/16/39/31/891163931.db2.gz JYWWTZMXHVUQMQ-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001437116885 891163951 /nfs/dbraw/zinc/16/39/51/891163951.db2.gz FDHMMZWPDKEJRL-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001437141706 891164406 /nfs/dbraw/zinc/16/44/06/891164406.db2.gz CJVSMLSQJOHCIK-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001437129459 891164114 /nfs/dbraw/zinc/16/41/14/891164114.db2.gz KBKYNYDTMREVKQ-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001437153799 891164147 /nfs/dbraw/zinc/16/41/47/891164147.db2.gz JYWWTZMXHVUQMQ-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)NCC(=O)N1CCC1 ZINC001437136623 891164439 /nfs/dbraw/zinc/16/44/39/891164439.db2.gz XBFUNMCLHAWWBZ-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001437115142 891164573 /nfs/dbraw/zinc/16/45/73/891164573.db2.gz XKNWMYNYJHKZRY-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001437115144 891164544 /nfs/dbraw/zinc/16/45/44/891164544.db2.gz XKNWMYNYJHKZRY-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001437141709 891164827 /nfs/dbraw/zinc/16/48/27/891164827.db2.gz CJVSMLSQJOHCIK-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001437156914 891164856 /nfs/dbraw/zinc/16/48/56/891164856.db2.gz OTCVTTCPQYPYHA-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N[C@@H](C)C(N)=O ZINC001437145812 891165042 /nfs/dbraw/zinc/16/50/42/891165042.db2.gz BFXZPCFXXYGQIQ-BDAKNGLRSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@]12C[C@H]1COC2 ZINC001437133775 891165071 /nfs/dbraw/zinc/16/50/71/891165071.db2.gz AEQMMFIYFYXHMW-RVBZMBCESA-N 0 3 298.343 -1.427 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001437137241 891165348 /nfs/dbraw/zinc/16/53/48/891165348.db2.gz SPLRQTITOXGFPN-SECBINFHSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)NCC(=O)NC1CC1 ZINC001437128975 891165373 /nfs/dbraw/zinc/16/53/73/891165373.db2.gz VNHUIXIKRUERCP-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)NCC(=O)N(C)C ZINC001437145137 891165385 /nfs/dbraw/zinc/16/53/85/891165385.db2.gz AZLWWYMLPWZEHO-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)CCn1ccnn1)N[C@H]1CCNC1=O ZINC001437119065 891165462 /nfs/dbraw/zinc/16/54/62/891165462.db2.gz JXTGPKQCKBUSDG-ZJUUUORDSA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@H](CC(=O)NC[C@H](C)NCC(=O)N1CCC1)NC(N)=O ZINC001437136625 891165515 /nfs/dbraw/zinc/16/55/15/891165515.db2.gz XBFUNMCLHAWWBZ-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1)NCC(=O)N(C)C ZINC001437122523 891165614 /nfs/dbraw/zinc/16/56/14/891165614.db2.gz IVFKCEWALRFFHY-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001437153795 891165771 /nfs/dbraw/zinc/16/57/71/891165771.db2.gz JYWWTZMXHVUQMQ-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCNC(=O)NC ZINC001437135599 891165822 /nfs/dbraw/zinc/16/58/22/891165822.db2.gz NIHZAEWRRGLBLA-MRVPVSSYSA-N 0 3 273.337 -1.854 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)N[C@@H](C)C(=O)N(C)C ZINC001437139086 891166200 /nfs/dbraw/zinc/16/62/00/891166200.db2.gz YZELDBUZQOFWSU-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001437156913 891166276 /nfs/dbraw/zinc/16/62/76/891166276.db2.gz OTCVTTCPQYPYHA-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)NCC(=O)N(C)C ZINC001437145135 891166349 /nfs/dbraw/zinc/16/63/49/891166349.db2.gz AZLWWYMLPWZEHO-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCc1cnn(C)n1 ZINC001437213649 891167407 /nfs/dbraw/zinc/16/74/07/891167407.db2.gz VZABQBZHXCZVMM-NXEZZACHSA-N 0 3 296.375 -1.024 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001437208067 891167700 /nfs/dbraw/zinc/16/77/00/891167700.db2.gz OEQAKFQUXRUXLR-BBBLOLIVSA-N 0 3 284.360 -1.320 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001437192356 891168061 /nfs/dbraw/zinc/16/80/61/891168061.db2.gz CXPKRZMXLHBYGB-RKDXNWHRSA-N 0 3 285.348 -1.712 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cnco1 ZINC001437194278 891168221 /nfs/dbraw/zinc/16/82/21/891168221.db2.gz ZELGHKVMECTZHP-ZETCQYMHSA-N 0 3 283.288 -1.162 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)NCC(N)=O ZINC001437186668 891168241 /nfs/dbraw/zinc/16/82/41/891168241.db2.gz ZFJKNXMNHPRURP-CBAPKCEASA-N 0 3 294.315 -2.055 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC2N=NC(=O)N2C1)NCC(N)=O ZINC001437159213 891168400 /nfs/dbraw/zinc/16/84/00/891168400.db2.gz DUEDKLCPAROUOX-YUMQZZPRSA-N 0 3 296.331 -1.874 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)NCC(=O)N1CCC1 ZINC001437170181 891168412 /nfs/dbraw/zinc/16/84/12/891168412.db2.gz WSYQYQPPIZLXJA-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001437196588 891168508 /nfs/dbraw/zinc/16/85/08/891168508.db2.gz CHTBBTMRTGWGRH-REIXXSIJSA-N 0 3 298.343 -1.571 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(=O)NC(N)=O ZINC001437182255 891168524 /nfs/dbraw/zinc/16/85/24/891168524.db2.gz BDWWHHACQGVHKF-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)NCC(N)=O ZINC001437165454 891168579 /nfs/dbraw/zinc/16/85/79/891168579.db2.gz PYRLTSLIHWCCQB-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001437196597 891168620 /nfs/dbraw/zinc/16/86/20/891168620.db2.gz CHTBBTMRTGWGRH-WYOJIJJFSA-N 0 3 298.343 -1.571 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCc1cnn(C)n1 ZINC001437213651 891168681 /nfs/dbraw/zinc/16/86/81/891168681.db2.gz VZABQBZHXCZVMM-UWVGGRQHSA-N 0 3 296.375 -1.024 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cncc(OC)n1 ZINC001437217255 891168694 /nfs/dbraw/zinc/16/86/94/891168694.db2.gz SWKIEDGYUOXUPK-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001437161113 891168758 /nfs/dbraw/zinc/16/87/58/891168758.db2.gz XWUAEXCMKQQZST-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](C)NCC(N)=O)c(=O)[nH]c1C ZINC001437174359 891168780 /nfs/dbraw/zinc/16/87/80/891168780.db2.gz SCRDWTWTEFSAQU-ZCFIWIBFSA-N 0 3 281.316 -1.008 20 0 CAADHN C[C@H](CNC(=O)c1csnn1)NCC(=O)NC(N)=O ZINC001437193182 891168813 /nfs/dbraw/zinc/16/88/13/891168813.db2.gz VDDODEAWNCHGGD-RXMQYKEDSA-N 0 3 286.317 -1.559 20 0 CAADHN CO[C@H](C(=O)NC[C@H](C)NCC(=O)NC(N)=O)C(C)C ZINC001437206595 891168907 /nfs/dbraw/zinc/16/89/07/891168907.db2.gz XVQXNSGQFRIGMV-WPRPVWTQSA-N 0 3 288.348 -1.053 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccc(=O)n(C)c1 ZINC001437160274 891168921 /nfs/dbraw/zinc/16/89/21/891168921.db2.gz IAZBTIZVGYRDAN-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1c[nH]nc1C ZINC001437185096 891168964 /nfs/dbraw/zinc/16/89/64/891168964.db2.gz GGYYEGZXHBKPAM-SSDOTTSWSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCc2nnn(C)c2C1)NCC(N)=O ZINC001437203902 891168977 /nfs/dbraw/zinc/16/89/77/891168977.db2.gz TVYYJJXTALFZEF-IUCAKERBSA-N 0 3 294.359 -1.500 20 0 CAADHN COCC(C)(C)C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001437163896 891169079 /nfs/dbraw/zinc/16/90/79/891169079.db2.gz GVGQMIFWHKFOQN-QMMMGPOBSA-N 0 3 288.348 -1.052 20 0 CAADHN CO[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)C(C)C ZINC001437206582 891169166 /nfs/dbraw/zinc/16/91/66/891169166.db2.gz XVQXNSGQFRIGMV-PSASIEDQSA-N 0 3 288.348 -1.053 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)NCC(=O)NC1CC1 ZINC001437220918 891169194 /nfs/dbraw/zinc/16/91/94/891169194.db2.gz FFRSKHQNYPOFCS-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)NCC(N)=O ZINC001437165451 891169206 /nfs/dbraw/zinc/16/92/06/891169206.db2.gz PYRLTSLIHWCCQB-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCc2nnn(C)c2C1)NCC(N)=O ZINC001437203899 891169256 /nfs/dbraw/zinc/16/92/56/891169256.db2.gz TVYYJJXTALFZEF-DTWKUNHWSA-N 0 3 294.359 -1.500 20 0 CAADHN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)C1 ZINC001437158467 891169346 /nfs/dbraw/zinc/16/93/46/891169346.db2.gz DNEWSHJLMSNPNH-MWLCHTKSSA-N 0 3 284.360 -1.176 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001437233284 891170283 /nfs/dbraw/zinc/17/02/83/891170283.db2.gz FWKJDIPWGRCGNW-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)c1 ZINC001437275647 891170558 /nfs/dbraw/zinc/17/05/58/891170558.db2.gz WBHCMPWTPLSCSS-QMMMGPOBSA-N 0 3 294.315 -1.581 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001437290842 891170590 /nfs/dbraw/zinc/17/05/90/891170590.db2.gz HHBPMDWAMLGBIC-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001437228962 891170695 /nfs/dbraw/zinc/17/06/95/891170695.db2.gz WVYVKDQKAUBFBU-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001437274331 891170983 /nfs/dbraw/zinc/17/09/83/891170983.db2.gz CFOASWWYTHPDQD-YUMQZZPRSA-N 0 3 271.321 -2.020 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCN1CCOCC1)C(N)=O ZINC001437232631 891171011 /nfs/dbraw/zinc/17/10/11/891171011.db2.gz ZWMBCDZLZWPHGJ-WDEREUQCSA-N 0 3 286.376 -1.323 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)NCC(N)=O ZINC001437248114 891171052 /nfs/dbraw/zinc/17/10/52/891171052.db2.gz NDKQSAJGMYZYGO-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CNC(=O)Cc1cncn1C)N[C@H]1CCNC1=O ZINC001437235866 891171091 /nfs/dbraw/zinc/17/10/91/891171091.db2.gz KNUVNBJSBCFJAR-ONGXEEELSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@H](CNC(=O)CCN1CCOCC1)N[C@@H](C)C(N)=O ZINC001437232628 891171186 /nfs/dbraw/zinc/17/11/86/891171186.db2.gz ZWMBCDZLZWPHGJ-MNOVXSKESA-N 0 3 286.376 -1.323 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N[C@@H]1CCNC1=O ZINC001437257691 891171397 /nfs/dbraw/zinc/17/13/97/891171397.db2.gz DUWFOCJAKUKTOE-IONNQARKSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)NCC(=O)N(C)C1CC1 ZINC001437249681 891171408 /nfs/dbraw/zinc/17/14/08/891171408.db2.gz RSRYISGEUMAROB-SNVBAGLBSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H](CNC(=O)CCN1CCOCC1)N[C@@H](C)C(N)=O ZINC001437232629 891171693 /nfs/dbraw/zinc/17/16/93/891171693.db2.gz ZWMBCDZLZWPHGJ-QWRGUYRKSA-N 0 3 286.376 -1.323 20 0 CAADHN CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001437311541 891174315 /nfs/dbraw/zinc/17/43/15/891174315.db2.gz PZAZJIHHGFZCJV-VIFPVBQESA-N 0 3 280.332 -1.008 20 0 CAADHN CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1nnc[n-]1 ZINC001437414236 891177551 /nfs/dbraw/zinc/17/75/51/891177551.db2.gz PACPCHYBLKJUJK-VIFPVBQESA-N 0 3 282.348 -1.032 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001437461809 891178479 /nfs/dbraw/zinc/17/84/79/891178479.db2.gz FWYUGFYDVZCUFD-SNVBAGLBSA-N 0 3 295.343 -1.197 20 0 CAADHN CN(CCCO)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001437469830 891180940 /nfs/dbraw/zinc/18/09/40/891180940.db2.gz FKXGDAHOALZSIP-UHFFFAOYSA-N 0 3 298.343 -2.023 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001437478321 891181079 /nfs/dbraw/zinc/18/10/79/891181079.db2.gz AIIMGGAUYGMJHA-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001437478310 891181438 /nfs/dbraw/zinc/18/14/38/891181438.db2.gz AIIMGGAUYGMJHA-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN CCN(CCNC(=O)Cn1cnnn1)CCn1cncn1 ZINC001437574936 891184989 /nfs/dbraw/zinc/18/49/89/891184989.db2.gz DJSAGHHVLNNISY-UHFFFAOYSA-N 0 3 293.335 -1.597 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN(C)[C@@H](C)COC ZINC001437560850 891185142 /nfs/dbraw/zinc/18/51/42/891185142.db2.gz DVCUYVXWWSFJEQ-VIFPVBQESA-N 0 3 281.378 -1.382 20 0 CAADHN CNC(=O)NC(=O)CN(C)CCNC(=O)CN1CCCC1 ZINC001437564953 891185420 /nfs/dbraw/zinc/18/54/20/891185420.db2.gz WWOGVSZLXMZGEK-UHFFFAOYSA-N 0 3 299.375 -1.414 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001437524728 891185485 /nfs/dbraw/zinc/18/54/85/891185485.db2.gz HPEUNHDSZCINDJ-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001437655060 891187369 /nfs/dbraw/zinc/18/73/69/891187369.db2.gz VIPMCPOAAQXAJU-JTQLQIEISA-N 0 3 272.349 -1.040 20 0 CAADHN O=C(CN1CCOCC1)NC[C@H]1CCCN1CCO ZINC001437667030 891187476 /nfs/dbraw/zinc/18/74/76/891187476.db2.gz SIFMWPKUTYISGS-GFCCVEGCSA-N 0 3 271.361 -1.109 20 0 CAADHN CCNC(=O)CCC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001437826625 891190905 /nfs/dbraw/zinc/19/09/05/891190905.db2.gz DEKQSNGUYVIEQN-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001437832131 891190959 /nfs/dbraw/zinc/19/09/59/891190959.db2.gz WEBCUZHALGZVEL-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001437828614 891191001 /nfs/dbraw/zinc/19/10/01/891191001.db2.gz BKYOYPVTMMXEOT-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)c1cnnn1C ZINC001437830771 891191084 /nfs/dbraw/zinc/19/10/84/891191084.db2.gz BSVPFIXLAUWEBX-SECBINFHSA-N 0 3 280.332 -1.293 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CN1CCCNC1=O ZINC001437829693 891191237 /nfs/dbraw/zinc/19/12/37/891191237.db2.gz HQKJEOFQZZRTSI-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CCNC(=O)NC)C(N)=O ZINC001437830507 891191533 /nfs/dbraw/zinc/19/15/33/891191533.db2.gz AOIKSFGNJKNTCY-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001437831110 891191624 /nfs/dbraw/zinc/19/16/24/891191624.db2.gz PBOOOZUIHKNOPF-WDEREUQCSA-N 0 3 286.376 -1.501 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CNC(=O)N1)C(=O)NC1CC1 ZINC001437833109 891191727 /nfs/dbraw/zinc/19/17/27/891191727.db2.gz XPJWSLYEZAFVIL-PSASIEDQSA-N 0 3 297.359 -1.617 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)CCn1cncn1 ZINC001437832129 891191772 /nfs/dbraw/zinc/19/17/72/891191772.db2.gz WBRCJRIDNQOULK-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001437829453 891192101 /nfs/dbraw/zinc/19/21/01/891192101.db2.gz IXWYFAVWNDMXRZ-MRVPVSSYSA-N 0 3 283.336 -1.652 20 0 CAADHN COC[C@H](OC)C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001437833769 891192127 /nfs/dbraw/zinc/19/21/27/891192127.db2.gz DEMHLDNWNXPBBM-QWRGUYRKSA-N 0 3 287.360 -1.074 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001437828018 891192165 /nfs/dbraw/zinc/19/21/65/891192165.db2.gz KHHAREZFRRLBRQ-RKDXNWHRSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H](C)NC(N)=O)C(=O)NC1CC1 ZINC001437832497 891192188 /nfs/dbraw/zinc/19/21/88/891192188.db2.gz HOZFRJRGETYDDL-IUCAKERBSA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCNC(=O)C1)C(N)=O ZINC001437827660 891192333 /nfs/dbraw/zinc/19/23/33/891192333.db2.gz BFTMGVHHFADEKV-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CNC(=O)N1)C(=O)NC1CC1 ZINC001437833112 891192539 /nfs/dbraw/zinc/19/25/39/891192539.db2.gz XPJWSLYEZAFVIL-WPRPVWTQSA-N 0 3 297.359 -1.617 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001437822732 891192593 /nfs/dbraw/zinc/19/25/93/891192593.db2.gz JTHLHRVJDQHKMK-WPRPVWTQSA-N 0 3 270.333 -1.553 20 0 CAADHN CCCC[C@H](NCCN(C)C(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001437833194 891192619 /nfs/dbraw/zinc/19/26/19/891192619.db2.gz YOFLFRJQLFSRLY-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001437828017 891192736 /nfs/dbraw/zinc/19/27/36/891192736.db2.gz KHHAREZFRRLBRQ-DTWKUNHWSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1cnnn1)C(=O)N(C)C ZINC001437823569 891192804 /nfs/dbraw/zinc/19/28/04/891192804.db2.gz KSFHOZKZSPKUFD-VIFPVBQESA-N 0 3 283.336 -1.802 20 0 CAADHN CCNC(=O)CCC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001437826627 891193478 /nfs/dbraw/zinc/19/34/78/891193478.db2.gz DEKQSNGUYVIEQN-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCNC(=O)C1)C(N)=O ZINC001437827657 891193776 /nfs/dbraw/zinc/19/37/76/891193776.db2.gz BFTMGVHHFADEKV-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CNC(=O)NC)C(N)=O ZINC001437835768 891195139 /nfs/dbraw/zinc/19/51/39/891195139.db2.gz OHVOHMLSMWZMLK-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H](C)S(C)(=O)=O)C(N)=O ZINC001437836919 891195155 /nfs/dbraw/zinc/19/51/55/891195155.db2.gz AKDKRBLVPBMPCP-DTWKUNHWSA-N 0 3 293.389 -1.269 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001437855782 891195688 /nfs/dbraw/zinc/19/56/88/891195688.db2.gz KHHAREZFRRLBRQ-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCc2nncn2C1)C(N)=O ZINC001437842497 891195774 /nfs/dbraw/zinc/19/57/74/891195774.db2.gz IGVQUUGLXXRFJI-VHSXEESVSA-N 0 3 294.359 -1.238 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001437848484 891196037 /nfs/dbraw/zinc/19/60/37/891196037.db2.gz RASZUTSFUUBVHP-RKDXNWHRSA-N 0 3 293.389 -1.398 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001437837151 891196109 /nfs/dbraw/zinc/19/61/09/891196109.db2.gz CLCYOZIHOBQYOY-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CC(C)c1nnnn1CC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001437848056 891196169 /nfs/dbraw/zinc/19/61/69/891196169.db2.gz VOHFZLUITMJATD-VIFPVBQESA-N 0 3 297.363 -1.282 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001437837146 891196179 /nfs/dbraw/zinc/19/61/79/891196179.db2.gz CLCYOZIHOBQYOY-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001437842021 891196190 /nfs/dbraw/zinc/19/61/90/891196190.db2.gz IDMQGBKTNVYDRG-MRVPVSSYSA-N 0 3 281.316 -1.684 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001437833990 891196203 /nfs/dbraw/zinc/19/62/03/891196203.db2.gz DTRLENGXHONSOB-BDAKNGLRSA-N 0 3 285.348 -1.678 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCc2nncn2C1)C(N)=O ZINC001437842458 891196471 /nfs/dbraw/zinc/19/64/71/891196471.db2.gz IGVQUUGLXXRFJI-NXEZZACHSA-N 0 3 294.359 -1.238 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](CC)NCC(=O)NC ZINC001438288992 891219257 /nfs/dbraw/zinc/21/92/57/891219257.db2.gz UDDTTXZZCJUREL-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001438005070 891196545 /nfs/dbraw/zinc/19/65/45/891196545.db2.gz QVCPMLGQMLUDKH-MNOVXSKESA-N 0 3 296.371 -1.237 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001437843572 891196659 /nfs/dbraw/zinc/19/66/59/891196659.db2.gz ZVGSTQAVVNOFDS-VHSXEESVSA-N 0 3 284.360 -1.353 20 0 CAADHN CC(=O)NCC(=O)NCC[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001437912249 891196722 /nfs/dbraw/zinc/19/67/22/891196722.db2.gz YMXRSVUIVVMFET-VXGBXAGGSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)c1nc[nH]n1 ZINC001437841146 891196749 /nfs/dbraw/zinc/19/67/49/891196749.db2.gz IRFRQJPPWAOLIF-ZETCQYMHSA-N 0 3 297.319 -1.690 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1nc[n-]n1 ZINC001437841146 891196753 /nfs/dbraw/zinc/19/67/53/891196753.db2.gz IRFRQJPPWAOLIF-ZETCQYMHSA-N 0 3 297.319 -1.690 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H](C)S(C)(=O)=O)C(N)=O ZINC001437836920 891196774 /nfs/dbraw/zinc/19/67/74/891196774.db2.gz AKDKRBLVPBMPCP-IUCAKERBSA-N 0 3 293.389 -1.269 20 0 CAADHN CC(=O)NCC(=O)NCC[C@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001437912247 891196822 /nfs/dbraw/zinc/19/68/22/891196822.db2.gz YMXRSVUIVVMFET-NWDGAFQWSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccn(C)n1)C(=O)NC(N)=O ZINC001437847868 891196854 /nfs/dbraw/zinc/19/68/54/891196854.db2.gz QDCSJBUHODHVSB-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001437834001 891196942 /nfs/dbraw/zinc/19/69/42/891196942.db2.gz DTRLENGXHONSOB-DTWKUNHWSA-N 0 3 285.348 -1.678 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CNC(=O)NC)C(N)=O ZINC001437835773 891197065 /nfs/dbraw/zinc/19/70/65/891197065.db2.gz OHVOHMLSMWZMLK-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cnc2n[nH]nc2c1)C(N)=O ZINC001437836520 891197641 /nfs/dbraw/zinc/19/76/41/891197641.db2.gz AISIRLYKPJSSDD-SSDOTTSWSA-N 0 3 291.315 -1.112 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@]1(C)CCC(=O)N1)C(N)=O ZINC001437835395 891197847 /nfs/dbraw/zinc/19/78/47/891197847.db2.gz HZBLCJPKJMKEKD-RNCFNFMXSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CC(C)(C)O ZINC001438981553 891253097 /nfs/dbraw/zinc/25/30/97/891253097.db2.gz PATRRISJAJHROP-IUCAKERBSA-N 0 3 275.349 -1.651 20 0 CAADHN CNS(=O)(=O)CCC(=O)NCC1CN(CCCO)C1 ZINC001438126500 891208503 /nfs/dbraw/zinc/20/85/03/891208503.db2.gz WSYQYERJIHSROY-UHFFFAOYSA-N 0 3 293.389 -1.644 20 0 CAADHN CC[C@@H](CNC(=O)COC)N[C@H](C)C(=O)NC(N)=O ZINC001438272060 891209255 /nfs/dbraw/zinc/20/92/55/891209255.db2.gz HHXMEIBUZHLJQQ-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@H](CNC(=O)COC)N[C@@H](C)C(=O)NC(N)=O ZINC001438272059 891209653 /nfs/dbraw/zinc/20/96/53/891209653.db2.gz HHXMEIBUZHLJQQ-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001438185789 891211409 /nfs/dbraw/zinc/21/14/09/891211409.db2.gz QLWGBIPQJRCTLA-SRVKXCTJSA-N 0 3 299.371 -1.338 20 0 CAADHN CC[C@@H](CNC(=O)COC)NCC(=O)N1CCOCC1 ZINC001438274214 891212940 /nfs/dbraw/zinc/21/29/40/891212940.db2.gz SMDRFQCWRBVTMV-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001438184310 891213439 /nfs/dbraw/zinc/21/34/39/891213439.db2.gz DJQCLKACWIEAFD-ADEWGFFLSA-N 0 3 287.360 -1.291 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001438185794 891213559 /nfs/dbraw/zinc/21/35/59/891213559.db2.gz QLWGBIPQJRCTLA-WOPDTQHZSA-N 0 3 299.371 -1.338 20 0 CAADHN CCOCC(=O)NC[C@@H](CC)NCC(=O)NC(N)=O ZINC001438274877 891214727 /nfs/dbraw/zinc/21/47/27/891214727.db2.gz NKCIWZXETIXMOM-MRVPVSSYSA-N 0 3 274.321 -1.298 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)OC)NCC(=O)NC ZINC001438280146 891215018 /nfs/dbraw/zinc/21/50/18/891215018.db2.gz LDGAAXWLUFELHA-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN CC[C@H](CNC(=O)c1cnco1)NCC(=O)NC(N)=O ZINC001438329102 891215220 /nfs/dbraw/zinc/21/52/20/891215220.db2.gz OHGDPTYEIPKRQB-SSDOTTSWSA-N 0 3 283.288 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)CCN1CCOCC1)NCC(N)=O ZINC001438353281 891215289 /nfs/dbraw/zinc/21/52/89/891215289.db2.gz OUDIDOBRGXFSNL-NSHDSACASA-N 0 3 286.376 -1.322 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)NCC(N)=O ZINC001438329235 891215596 /nfs/dbraw/zinc/21/55/96/891215596.db2.gz PZLJPEYZFKBGGO-UWVGGRQHSA-N 0 3 299.375 -1.253 20 0 CAADHN CC[C@H](CNC(=O)C(C)(C)NC(C)=O)NCC(N)=O ZINC001438352199 891215631 /nfs/dbraw/zinc/21/56/31/891215631.db2.gz LRZMPWHCVXBWMU-SECBINFHSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@H](CNC(=O)CCN1CCOCC1)NCC(N)=O ZINC001438353278 891216033 /nfs/dbraw/zinc/21/60/33/891216033.db2.gz OUDIDOBRGXFSNL-LLVKDONJSA-N 0 3 286.376 -1.322 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](C)CC(N)=O)NCC(=O)NC ZINC001438329119 891216136 /nfs/dbraw/zinc/21/61/36/891216136.db2.gz RRVZMKMNYIYZAM-DTWKUNHWSA-N 0 3 272.349 -1.272 20 0 CAADHN CC[C@H](CNC(=O)c1nc[nH]n1)NCc1nnnn1C ZINC001438352960 891216272 /nfs/dbraw/zinc/21/62/72/891216272.db2.gz RGPHUKRWWLOXNE-SSDOTTSWSA-N 0 3 279.308 -1.374 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)NCC(=O)NC ZINC001438335552 891216483 /nfs/dbraw/zinc/21/64/83/891216483.db2.gz URJYBINKFWXGCP-QMMMGPOBSA-N 0 3 283.332 -1.030 20 0 CAADHN CC[C@H](CNC(=O)c1ccc(=O)n(C)c1)NCC(N)=O ZINC001438329945 891216515 /nfs/dbraw/zinc/21/65/15/891216515.db2.gz QZDLOMIPLVUXDD-SNVBAGLBSA-N 0 3 280.328 -1.031 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)NCC(N)=O ZINC001438329228 891217238 /nfs/dbraw/zinc/21/72/38/891217238.db2.gz PZLJPEYZFKBGGO-NXEZZACHSA-N 0 3 299.375 -1.253 20 0 CAADHN CC[C@H](CNC(=O)CCc1cn(C)nn1)NCC(N)=O ZINC001438379946 891217778 /nfs/dbraw/zinc/21/77/78/891217778.db2.gz RNONHQGIOWCCDE-SECBINFHSA-N 0 3 282.348 -1.283 20 0 CAADHN CNC(=O)CNCC1(NC(=O)c2nnn(C)n2)CCCC1 ZINC001438393192 891217808 /nfs/dbraw/zinc/21/78/08/891217808.db2.gz ZYZRVCMDWHLQLA-UHFFFAOYSA-N 0 3 295.347 -1.412 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)NCC(=O)NC1CC1 ZINC001438351928 891217837 /nfs/dbraw/zinc/21/78/37/891217837.db2.gz JZAYFAILIGXUFK-MRVPVSSYSA-N 0 3 295.347 -1.413 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1COCCN1CC)NCC(N)=O ZINC001438324441 891217934 /nfs/dbraw/zinc/21/79/34/891217934.db2.gz JZSWLMCIEPTABE-MNOVXSKESA-N 0 3 286.376 -1.323 20 0 CAADHN CC[C@H](CNC(=O)CS(C)(=O)=O)NCC(=O)NC ZINC001438290123 891218416 /nfs/dbraw/zinc/21/84/16/891218416.db2.gz JPXIDYJJJQQNQV-MRVPVSSYSA-N 0 3 279.362 -1.739 20 0 CAADHN CC[C@@H](CNC(=O)c1cnco1)NCC(=O)NC(N)=O ZINC001438329107 891218489 /nfs/dbraw/zinc/21/84/89/891218489.db2.gz OHGDPTYEIPKRQB-ZETCQYMHSA-N 0 3 283.288 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCCN(C(N)=O)C1)NCC(N)=O ZINC001438329247 891218548 /nfs/dbraw/zinc/21/85/48/891218548.db2.gz PZLJPEYZFKBGGO-ZJUUUORDSA-N 0 3 299.375 -1.253 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001438415665 891218603 /nfs/dbraw/zinc/21/86/03/891218603.db2.gz PHFAGGXGTFCXTF-AWEZNQCLSA-N 0 3 296.371 -1.176 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCNC(=O)C1)NCC(N)=O ZINC001438327742 891219055 /nfs/dbraw/zinc/21/90/55/891219055.db2.gz QVACOOUXVSSGEP-VIFPVBQESA-N 0 3 285.348 -2.612 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001438461884 891218757 /nfs/dbraw/zinc/21/87/57/891218757.db2.gz FFCKUDMOKZXCHX-SFYZADRCSA-N 0 3 297.315 -2.350 20 0 CAADHN CC(=O)N1CC(C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001438387728 891218887 /nfs/dbraw/zinc/21/88/87/891218887.db2.gz XVTFIAKAFPIMMV-UHFFFAOYSA-N 0 3 296.371 -1.031 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)NCC(=O)NC ZINC001438340186 891218976 /nfs/dbraw/zinc/21/89/76/891218976.db2.gz JSUIZURLTZXARI-IUCAKERBSA-N 0 3 293.389 -1.350 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H](C)CC(N)=O)NCC(=O)NC ZINC001438329123 891219028 /nfs/dbraw/zinc/21/90/28/891219028.db2.gz RRVZMKMNYIYZAM-IUCAKERBSA-N 0 3 272.349 -1.272 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)CNC(C)=O ZINC001438287512 891219314 /nfs/dbraw/zinc/21/93/14/891219314.db2.gz WLIDBHVVQBUJSH-JTQLQIEISA-N 0 3 272.349 -1.257 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)c1nnn(C)n1)C1CC1 ZINC001438419440 891219343 /nfs/dbraw/zinc/21/93/43/891219343.db2.gz KKFFDTLMOLZGIQ-LBPRGKRZSA-N 0 3 295.347 -1.556 20 0 CAADHN CC[C@H](CNC(=O)CS(=O)(=O)NC)NCC(N)=O ZINC001438363322 891219468 /nfs/dbraw/zinc/21/94/68/891219468.db2.gz BIEFWYFZTFRARG-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN C[C@H](CNCc1nnnn1C)CNC(=O)c1nnc[nH]1 ZINC001438536466 891220970 /nfs/dbraw/zinc/22/09/70/891220970.db2.gz PMIDRYWIKMJTMM-SSDOTTSWSA-N 0 3 279.308 -1.516 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H]1CN(CC(N)=O)CCO1)N(C)C ZINC001438574315 891224164 /nfs/dbraw/zinc/22/41/64/891224164.db2.gz GJRBGTVHFDOWGS-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN CNC(=O)NCC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001438608804 891224255 /nfs/dbraw/zinc/22/42/55/891224255.db2.gz HDVJIOILRJOADT-UHFFFAOYSA-N 0 3 284.360 -1.168 20 0 CAADHN NC(=O)CNC1(CNC(=O)CCNC(N)=O)CCCC1 ZINC001438609684 891224674 /nfs/dbraw/zinc/22/46/74/891224674.db2.gz BLCRPEYDPMNBBW-UHFFFAOYSA-N 0 3 285.348 -1.451 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001438635321 891224848 /nfs/dbraw/zinc/22/48/48/891224848.db2.gz KUZMZSAKIZTGLV-MWLCHTKSSA-N 0 3 296.371 -1.020 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CNC(=O)N2)CCCC1 ZINC001438608735 891224974 /nfs/dbraw/zinc/22/49/74/891224974.db2.gz YBWAKCXXEVAKOV-QMMMGPOBSA-N 0 3 283.332 -1.828 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001438635318 891225659 /nfs/dbraw/zinc/22/56/59/891225659.db2.gz KUZMZSAKIZTGLV-GXSJLCMTSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)Cn1cnnn1 ZINC001438619594 891226459 /nfs/dbraw/zinc/22/64/59/891226459.db2.gz MHBLMIDSUAOMCE-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN COCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001438617402 891226487 /nfs/dbraw/zinc/22/64/87/891226487.db2.gz AJVBSRNFOKBLDO-JGVFFNPUSA-N 0 3 274.321 -1.347 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)Cn1cnnn1 ZINC001438619598 891226676 /nfs/dbraw/zinc/22/66/76/891226676.db2.gz MHBLMIDSUAOMCE-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CNC(=O)OC ZINC001438636143 891226902 /nfs/dbraw/zinc/22/69/02/891226902.db2.gz JUOPKZWCJFXTJH-IUCAKERBSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CCNC(N)=O ZINC001438713887 891227738 /nfs/dbraw/zinc/22/77/38/891227738.db2.gz AIGJTOSJALDKRH-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1cn(C)nn1)C(C)C ZINC001438797719 891227770 /nfs/dbraw/zinc/22/77/70/891227770.db2.gz AQAWSCHTBVTOEO-VIFPVBQESA-N 0 3 282.348 -1.095 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CN[C@H]1CCCNC1=O ZINC001438654636 891228259 /nfs/dbraw/zinc/22/82/59/891228259.db2.gz ANNITZUEXZNQCG-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CCS(C)(=O)=O ZINC001438657392 891228297 /nfs/dbraw/zinc/22/82/97/891228297.db2.gz AITWGPYSTWWKSA-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN Cc1nc(CNC[C@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)n[nH]1 ZINC001438677766 891228370 /nfs/dbraw/zinc/22/83/70/891228370.db2.gz WYQYJPSKEQSZKJ-IONNQARKSA-N 0 3 295.347 -1.269 20 0 CAADHN CC[C@H](NC[C@@H](C)N(C)C(=O)CCn1cnnn1)C(N)=O ZINC001438704525 891228436 /nfs/dbraw/zinc/22/84/36/891228436.db2.gz YFJVMUWLHWKTNO-ZJUUUORDSA-N 0 3 297.363 -1.236 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1cn(C)nn1)C(C)C ZINC001438797713 891228507 /nfs/dbraw/zinc/22/85/07/891228507.db2.gz AQAWSCHTBVTOEO-SECBINFHSA-N 0 3 282.348 -1.095 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001438667948 891228714 /nfs/dbraw/zinc/22/87/14/891228714.db2.gz ZZDOQSZGQJFSSZ-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CN[C@@H]1CCCNC1=O ZINC001438654637 891228884 /nfs/dbraw/zinc/22/88/84/891228884.db2.gz ANNITZUEXZNQCG-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)CCNC(N)=O ZINC001438713946 891229264 /nfs/dbraw/zinc/22/92/64/891229264.db2.gz BENUCHNMHQWGFN-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN COCC(=O)N(C)CC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001438654217 891229414 /nfs/dbraw/zinc/22/94/14/891229414.db2.gz SJVZRUDJGVWWBO-VIFPVBQESA-N 0 3 288.348 -1.987 20 0 CAADHN CC[C@H](NC[C@H](C)N(C)C(=O)CNC(=O)NC)C(N)=O ZINC001438663856 891229516 /nfs/dbraw/zinc/22/95/16/891229516.db2.gz VMOSICOGBBHQDI-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CN1CCOCC1=O ZINC001438645848 891229629 /nfs/dbraw/zinc/22/96/29/891229629.db2.gz AUMYEMJOLBSOLC-SECBINFHSA-N 0 3 286.332 -2.233 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1CCNC(=O)C1)NCC(N)=O ZINC001438803844 891229960 /nfs/dbraw/zinc/22/99/60/891229960.db2.gz PCWJPYIBCIETIV-UWVGGRQHSA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001438642020 891230139 /nfs/dbraw/zinc/23/01/39/891230139.db2.gz OLJWHLNLMZIDFL-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001438709506 891230197 /nfs/dbraw/zinc/23/01/97/891230197.db2.gz AJXSFDAMENTIIV-SFYZADRCSA-N 0 3 292.361 -2.400 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001438667945 891230227 /nfs/dbraw/zinc/23/02/27/891230227.db2.gz ZZDOQSZGQJFSSZ-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001438643307 891230594 /nfs/dbraw/zinc/23/05/94/891230594.db2.gz KVOIEQFGHSMUTC-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001438674276 891230648 /nfs/dbraw/zinc/23/06/48/891230648.db2.gz OMMKHFUVOXAGGF-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nc[n-]n2)C[C@@H]1C ZINC001438771872 891230683 /nfs/dbraw/zinc/23/06/83/891230683.db2.gz MACJBZUVLLMGDC-IUCAKERBSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001438681792 891230785 /nfs/dbraw/zinc/23/07/85/891230785.db2.gz LZUWZTLLXWSPGI-DTWKUNHWSA-N 0 3 295.343 -1.046 20 0 CAADHN CC[C@H](NC[C@H](C)N(C)C(=O)CCn1cnnn1)C(N)=O ZINC001438704521 891230821 /nfs/dbraw/zinc/23/08/21/891230821.db2.gz YFJVMUWLHWKTNO-UWVGGRQHSA-N 0 3 297.363 -1.236 20 0 CAADHN Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@@H]2CNC(=O)N2)n[nH]1 ZINC001438677747 891230968 /nfs/dbraw/zinc/23/09/68/891230968.db2.gz WYQYJPSKEQSZKJ-APPZFPTMSA-N 0 3 295.347 -1.269 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001438695115 891231047 /nfs/dbraw/zinc/23/10/47/891231047.db2.gz YNJAGAUWFBYVLV-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001438682699 891231087 /nfs/dbraw/zinc/23/10/87/891231087.db2.gz RYVXVKONCZEIKN-ZETCQYMHSA-N 0 3 296.331 -1.037 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)C1CN(C(C)=O)C1 ZINC001438642004 891231242 /nfs/dbraw/zinc/23/12/42/891231242.db2.gz OBVCMJAAQAFWMQ-VIFPVBQESA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001438709502 891231299 /nfs/dbraw/zinc/23/12/99/891231299.db2.gz AJXSFDAMENTIIV-HTQZYQBOSA-N 0 3 292.361 -2.400 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001438642019 891231397 /nfs/dbraw/zinc/23/13/97/891231397.db2.gz OLJWHLNLMZIDFL-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001438643309 891231453 /nfs/dbraw/zinc/23/14/53/891231453.db2.gz KVOIEQFGHSMUTC-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1cn(C)nn1 ZINC001438655201 891231488 /nfs/dbraw/zinc/23/14/88/891231488.db2.gz UUZMPANWRIJJHV-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001438695112 891231734 /nfs/dbraw/zinc/23/17/34/891231734.db2.gz YNJAGAUWFBYVLV-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001438692201 891231784 /nfs/dbraw/zinc/23/17/84/891231784.db2.gz NDHOHRGFTXHGFV-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1cn(C)nn1 ZINC001438655210 891231898 /nfs/dbraw/zinc/23/18/98/891231898.db2.gz UUZMPANWRIJJHV-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CC(C)[C@@H](CNC(=O)c1nccnc1N)NCC(N)=O ZINC001438798939 891231934 /nfs/dbraw/zinc/23/19/34/891231934.db2.gz RQDSHSJDQPHNBZ-MRVPVSSYSA-N 0 3 280.332 -1.112 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H](C)CC(N)=O)NCC(N)=O ZINC001438815760 891234967 /nfs/dbraw/zinc/23/49/67/891234967.db2.gz GNRMZHDDLSEMJZ-BDAKNGLRSA-N 0 3 272.349 -1.286 20 0 CAADHN CN(CCN(C)C(=O)Cn1cnnn1)CCn1cccn1 ZINC001438842700 891236111 /nfs/dbraw/zinc/23/61/11/891236111.db2.gz CJFAJARMCCTFQC-UHFFFAOYSA-N 0 3 292.347 -1.040 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC001438952957 891238381 /nfs/dbraw/zinc/23/83/81/891238381.db2.gz GIPSHXFCZLPNEU-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C(C)(F)F)C(=O)NC(N)=O ZINC001438954630 891238413 /nfs/dbraw/zinc/23/84/13/891238413.db2.gz JXPLNWRRPXMAEN-PHDIDXHHSA-N 0 3 296.274 -1.708 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cccnc1 ZINC001438957172 891238472 /nfs/dbraw/zinc/23/84/72/891238472.db2.gz OCOTWNSTKYMGRC-GHMZBOCLSA-N 0 3 278.312 -1.350 20 0 CAADHN COCCC(=O)NC[C@@H](O)CN[C@@H]1CCCN(C)C1=O ZINC001438955776 891238506 /nfs/dbraw/zinc/23/85/06/891238506.db2.gz DIVIWWLITDUXKG-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C)on1 ZINC001438957076 891238800 /nfs/dbraw/zinc/23/88/00/891238800.db2.gz NVJSVLUTVNMQCE-MRVPVSSYSA-N 0 3 270.289 -1.591 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCO1)C1CC1 ZINC001438957104 891239026 /nfs/dbraw/zinc/23/90/26/891239026.db2.gz OAWULMLLFFKCSS-RYUDHWBXSA-N 0 3 299.371 -1.147 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(C)on1 ZINC001438957090 891239371 /nfs/dbraw/zinc/23/93/71/891239371.db2.gz NVJSVLUTVNMQCE-QMMMGPOBSA-N 0 3 270.289 -1.591 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1CCOCC1 ZINC001438955368 891239683 /nfs/dbraw/zinc/23/96/83/891239683.db2.gz DLGKLMWAFXKIEL-SNVBAGLBSA-N 0 3 273.333 -1.774 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C1=COCCO1 ZINC001438952874 891240101 /nfs/dbraw/zinc/24/01/01/891240101.db2.gz FNOUKTYMYOFMPV-IUCAKERBSA-N 0 3 287.316 -1.924 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCc1cnc(C)nc1 ZINC001438952607 891240152 /nfs/dbraw/zinc/24/01/52/891240152.db2.gz HLQMGJZIZOASNU-GFCCVEGCSA-N 0 3 295.343 -1.512 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cc(C)no1)C(N)=O ZINC001438953659 891240616 /nfs/dbraw/zinc/24/06/16/891240616.db2.gz BTGLJIUJKXCWOH-RKDXNWHRSA-N 0 3 284.316 -1.073 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCO1)C1CC1 ZINC001438957098 891240521 /nfs/dbraw/zinc/24/05/21/891240521.db2.gz OAWULMLLFFKCSS-NEPJUHHUSA-N 0 3 299.371 -1.147 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)no1 ZINC001438953098 891240739 /nfs/dbraw/zinc/24/07/39/891240739.db2.gz ADRKKEXVXHIUQC-SNVBAGLBSA-N 0 3 296.327 -1.058 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC1CC1 ZINC001438956856 891241337 /nfs/dbraw/zinc/24/13/37/891241337.db2.gz FDSYSUGDOYVWND-SCZZXKLOSA-N 0 3 273.333 -1.633 20 0 CAADHN COCCC(=O)NC[C@H](O)CN[C@@H]1CCCN(C)C1=O ZINC001438955773 891241376 /nfs/dbraw/zinc/24/13/76/891241376.db2.gz DIVIWWLITDUXKG-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1CCOCC1 ZINC001438955302 891241810 /nfs/dbraw/zinc/24/18/10/891241810.db2.gz DLGKLMWAFXKIEL-JTQLQIEISA-N 0 3 273.333 -1.774 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001438957065 891241546 /nfs/dbraw/zinc/24/15/46/891241546.db2.gz NTRVAGSYKIINID-JTQLQIEISA-N 0 3 273.333 -1.678 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1CC1)C(=O)NC(N)=O ZINC001438956661 891241897 /nfs/dbraw/zinc/24/18/97/891241897.db2.gz GIJZVIJLSSEXCW-HTRCEHHLSA-N 0 3 272.305 -1.954 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)no1 ZINC001438956457 891242149 /nfs/dbraw/zinc/24/21/49/891242149.db2.gz FUDWHJUCSNMJJR-BDAKNGLRSA-N 0 3 282.300 -1.448 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001438955870 891242441 /nfs/dbraw/zinc/24/24/41/891242441.db2.gz LAJMYUDXQDFOGE-MRVPVSSYSA-N 0 3 273.289 -2.313 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001438952871 891242654 /nfs/dbraw/zinc/24/26/54/891242654.db2.gz FNOUKTYMYOFMPV-DTWKUNHWSA-N 0 3 287.316 -1.924 20 0 CAADHN CCOCC(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001438952955 891242744 /nfs/dbraw/zinc/24/27/44/891242744.db2.gz GIPSHXFCZLPNEU-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cc(C)no1)C(N)=O ZINC001438953647 891242890 /nfs/dbraw/zinc/24/28/90/891242890.db2.gz BTGLJIUJKXCWOH-DTWKUNHWSA-N 0 3 284.316 -1.073 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)no1 ZINC001438953055 891243116 /nfs/dbraw/zinc/24/31/16/891243116.db2.gz ADRKKEXVXHIUQC-JTQLQIEISA-N 0 3 296.327 -1.058 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnccn1)C(=O)N(C)C ZINC001438959726 891243443 /nfs/dbraw/zinc/24/34/43/891243443.db2.gz UESREZZKJCMYHP-UWVGGRQHSA-N 0 3 295.343 -1.366 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1ccc[nH]1 ZINC001438958206 891243471 /nfs/dbraw/zinc/24/34/71/891243471.db2.gz JVXFIXJMZWLIOV-KOLCDFICSA-N 0 3 280.328 -1.026 20 0 CAADHN Cc1noc(C)c1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001438962495 891243561 /nfs/dbraw/zinc/24/35/61/891243561.db2.gz SLCXTNCJGLQVDS-NXEZZACHSA-N 0 3 296.327 -1.140 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1ccc[nH]1 ZINC001438958218 891243846 /nfs/dbraw/zinc/24/38/46/891243846.db2.gz JVXFIXJMZWLIOV-MWLCHTKSSA-N 0 3 280.328 -1.026 20 0 CAADHN Cc1noc(C)c1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001438962563 891243895 /nfs/dbraw/zinc/24/38/95/891243895.db2.gz SLCXTNCJGLQVDS-ZJUUUORDSA-N 0 3 296.327 -1.140 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnccn1)C(=O)N(C)C ZINC001438959719 891244386 /nfs/dbraw/zinc/24/43/86/891244386.db2.gz UESREZZKJCMYHP-NXEZZACHSA-N 0 3 295.343 -1.366 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)CC1CC1 ZINC001438967000 891244418 /nfs/dbraw/zinc/24/44/18/891244418.db2.gz WVNZUYHNRWFSTQ-QMMMGPOBSA-N 0 3 272.305 -1.952 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c1)C1CC1 ZINC001438966390 891244619 /nfs/dbraw/zinc/24/46/19/891244619.db2.gz BYDPGEUXOIENQI-NSHDSACASA-N 0 3 295.343 -1.289 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CC1CC1)C(=O)NC(N)=O ZINC001438961498 891244823 /nfs/dbraw/zinc/24/48/23/891244823.db2.gz OXJGVFFLTZCLFQ-VXNVDRBHSA-N 0 3 286.332 -1.563 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnn(C)c1)C(=O)N(C)C ZINC001438958157 891244865 /nfs/dbraw/zinc/24/48/65/891244865.db2.gz JVOZBTJRULZZCY-KOLCDFICSA-N 0 3 297.359 -1.423 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)[nH]n1 ZINC001438964594 891245001 /nfs/dbraw/zinc/24/50/01/891245001.db2.gz DWRWICGRCYFAEF-JTQLQIEISA-N 0 3 295.343 -1.369 20 0 CAADHN CCC(=O)NC[C@H](O)CNCC(=O)NC(=O)NC1CC1 ZINC001438958255 891245376 /nfs/dbraw/zinc/24/53/76/891245376.db2.gz GTTVJHMNBMGNTO-SECBINFHSA-N 0 3 286.332 -1.549 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001438965242 891245426 /nfs/dbraw/zinc/24/54/26/891245426.db2.gz GCGWENQGIRGJLD-IUCAKERBSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CC1CC1)C(=O)NC(N)=O ZINC001438961495 891245560 /nfs/dbraw/zinc/24/55/60/891245560.db2.gz OXJGVFFLTZCLFQ-CBAPKCEASA-N 0 3 286.332 -1.563 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)[nH]n1 ZINC001438964637 891245814 /nfs/dbraw/zinc/24/58/14/891245814.db2.gz DWRWICGRCYFAEF-SNVBAGLBSA-N 0 3 295.343 -1.369 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CNC(=O)C(F)F)C1=O ZINC001438960449 891246203 /nfs/dbraw/zinc/24/62/03/891246203.db2.gz LVTFXVPQGQJTCF-SFYZADRCSA-N 0 3 279.287 -1.061 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C1CCOCC1 ZINC001438960636 891246248 /nfs/dbraw/zinc/24/62/48/891246248.db2.gz MIEMYBXOICOZGX-LLVKDONJSA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnns1 ZINC001438962968 891246355 /nfs/dbraw/zinc/24/63/55/891246355.db2.gz BNGSGHLGZUKIRQ-NKWVEPMBSA-N 0 3 287.345 -1.647 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CNC(=O)C(F)F)C1=O ZINC001438960452 891246531 /nfs/dbraw/zinc/24/65/31/891246531.db2.gz LVTFXVPQGQJTCF-YUMQZZPRSA-N 0 3 279.287 -1.061 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)[nH]n1 ZINC001438962828 891246980 /nfs/dbraw/zinc/24/69/80/891246980.db2.gz BAIVWMJUXBROJL-JTQLQIEISA-N 0 3 295.343 -1.323 20 0 CAADHN Cc1noc(C)c1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001438962545 891247434 /nfs/dbraw/zinc/24/74/34/891247434.db2.gz SLCXTNCJGLQVDS-UWVGGRQHSA-N 0 3 296.327 -1.140 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CC1CC1)C(=O)NC(N)=O ZINC001438961496 891247161 /nfs/dbraw/zinc/24/71/61/891247161.db2.gz OXJGVFFLTZCLFQ-IONNQARKSA-N 0 3 286.332 -1.563 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1ccc[nH]1 ZINC001438958193 891247244 /nfs/dbraw/zinc/24/72/44/891247244.db2.gz JVXFIXJMZWLIOV-GXSJLCMTSA-N 0 3 280.328 -1.026 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1snnc1C ZINC001438962953 891247515 /nfs/dbraw/zinc/24/75/15/891247515.db2.gz TVTRLDDVXZHJCX-SSDOTTSWSA-N 0 3 287.345 -1.727 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CN(C)C(C)=O ZINC001438967740 891247687 /nfs/dbraw/zinc/24/76/87/891247687.db2.gz DEZZPRLCQOWBHE-SECBINFHSA-N 0 3 274.321 -2.723 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001438977720 891248117 /nfs/dbraw/zinc/24/81/17/891248117.db2.gz HXLZJNXXQHSKJQ-CBAPKCEASA-N 0 3 282.300 -1.659 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1cc[nH]n1)C(=O)N(C)C ZINC001438972611 891248417 /nfs/dbraw/zinc/24/84/17/891248417.db2.gz QRGXQXRUHFWBSD-MWLCHTKSSA-N 0 3 297.359 -1.504 20 0 CAADHN CC[C@@H](SC)C(=O)NC[C@H](O)CNCC(=O)NC ZINC001438974838 891248457 /nfs/dbraw/zinc/24/84/57/891248457.db2.gz AXZCRUQZPJGNAJ-RKDXNWHRSA-N 0 3 277.390 -1.059 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001438978380 891248490 /nfs/dbraw/zinc/24/84/90/891248490.db2.gz DIWVVARDGLAHEH-MRVPVSSYSA-N 0 3 284.320 -2.369 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnns1)C(N)=O ZINC001438972806 891249499 /nfs/dbraw/zinc/24/94/99/891249499.db2.gz RPHRJCGJAHDQRS-BQBZGAKWSA-N 0 3 287.345 -1.518 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C)ncn1 ZINC001438976336 891248597 /nfs/dbraw/zinc/24/85/97/891248597.db2.gz FGCFCQMBEHXKHV-SNVBAGLBSA-N 0 3 295.343 -1.399 20 0 CAADHN Cc1cccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001438970780 891248661 /nfs/dbraw/zinc/24/86/61/891248661.db2.gz LSHFIPVHGCUVIE-NXEZZACHSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cn(C)cn2)n[nH]1 ZINC001438978669 891248823 /nfs/dbraw/zinc/24/88/23/891248823.db2.gz JSPQHKMEBSFRCI-SECBINFHSA-N 0 3 293.331 -1.273 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnns1)N1CCC1 ZINC001438968986 891248972 /nfs/dbraw/zinc/24/89/72/891248972.db2.gz FIRFIYIDBZOQTN-MRVPVSSYSA-N 0 3 299.356 -1.549 20 0 CAADHN Cc1ccn(C)c1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001438975932 891249208 /nfs/dbraw/zinc/24/92/08/891249208.db2.gz BNMPUBKTCPAFRC-UWVGGRQHSA-N 0 3 282.344 -1.112 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cn(C)cn2)n[nH]1 ZINC001438978685 891249343 /nfs/dbraw/zinc/24/93/43/891249343.db2.gz JSPQHKMEBSFRCI-VIFPVBQESA-N 0 3 293.331 -1.273 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001438968930 891250023 /nfs/dbraw/zinc/25/00/23/891250023.db2.gz FGUBSPRXDPMQKH-WDEREUQCSA-N 0 3 287.360 -1.242 20 0 CAADHN Cc1ccn(C)c1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001438975877 891250234 /nfs/dbraw/zinc/25/02/34/891250234.db2.gz BNMPUBKTCPAFRC-NXEZZACHSA-N 0 3 282.344 -1.112 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)n1cccn1 ZINC001438974183 891250771 /nfs/dbraw/zinc/25/07/71/891250771.db2.gz LVWDKDLNGKGNQI-ZJUUUORDSA-N 0 3 283.332 -1.743 20 0 CAADHN Cc1ccncc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001438973678 891250960 /nfs/dbraw/zinc/25/09/60/891250960.db2.gz UXXLNEJZPANLOE-UWVGGRQHSA-N 0 3 280.328 -1.056 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)OC ZINC001438971499 891250997 /nfs/dbraw/zinc/25/09/97/891250997.db2.gz OEIJRPNNGBEKKA-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CCn1cncn1 ZINC001438975658 891251148 /nfs/dbraw/zinc/25/11/48/891251148.db2.gz VZVGTLPVQKLPMU-ZJUUUORDSA-N 0 3 298.347 -2.131 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnsn1 ZINC001438975656 891251207 /nfs/dbraw/zinc/25/12/07/891251207.db2.gz PNWHJTVAXOEUBX-ZETCQYMHSA-N 0 3 287.345 -1.693 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001438974004 891251410 /nfs/dbraw/zinc/25/14/10/891251410.db2.gz WARGSLVGCOCBPZ-NXEZZACHSA-N 0 3 273.333 -1.822 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CCn1cncn1 ZINC001438975652 891251614 /nfs/dbraw/zinc/25/16/14/891251614.db2.gz VZVGTLPVQKLPMU-VHSXEESVSA-N 0 3 298.347 -2.131 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001438968911 891251992 /nfs/dbraw/zinc/25/19/92/891251992.db2.gz FGUBSPRXDPMQKH-GHMZBOCLSA-N 0 3 287.360 -1.242 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001438968924 891252277 /nfs/dbraw/zinc/25/22/77/891252277.db2.gz FGUBSPRXDPMQKH-QWRGUYRKSA-N 0 3 287.360 -1.242 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001438974012 891252103 /nfs/dbraw/zinc/25/21/03/891252103.db2.gz WARGSLVGCOCBPZ-UWVGGRQHSA-N 0 3 273.333 -1.822 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnsn1 ZINC001438971827 891252206 /nfs/dbraw/zinc/25/22/06/891252206.db2.gz HYCOVLNSIMSPST-NKWVEPMBSA-N 0 3 287.345 -1.647 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001438982366 891253511 /nfs/dbraw/zinc/25/35/11/891253511.db2.gz LEPPLTNANQDRKD-JGVFFNPUSA-N 0 3 288.304 -2.750 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CCn1ccnn1 ZINC001438979836 891253018 /nfs/dbraw/zinc/25/30/18/891253018.db2.gz KMICFNNFTLAFID-UWVGGRQHSA-N 0 3 298.347 -2.131 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCCOC1)NC1CC1 ZINC001438984869 891253359 /nfs/dbraw/zinc/25/33/59/891253359.db2.gz PIVVJZHFGRLGKU-PWSUYJOCSA-N 0 3 299.371 -1.242 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CN[C@H](C)C(=O)NC)n1 ZINC001438979517 891253385 /nfs/dbraw/zinc/25/33/85/891253385.db2.gz GBZSBZCLNLPTSR-RKDXNWHRSA-N 0 3 298.347 -1.887 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001438982369 891253480 /nfs/dbraw/zinc/25/34/80/891253480.db2.gz LEPPLTNANQDRKD-SFYZADRCSA-N 0 3 288.304 -2.750 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1coc(C)n1 ZINC001438986654 891253831 /nfs/dbraw/zinc/25/38/31/891253831.db2.gz VKDDHZDPXRRRNA-CBAPKCEASA-N 0 3 284.316 -1.202 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1coc(C)n1 ZINC001438981029 891253968 /nfs/dbraw/zinc/25/39/68/891253968.db2.gz HWLQPEVRDYNMGY-SECBINFHSA-N 0 3 284.316 -1.201 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)C1 ZINC001438980038 891253997 /nfs/dbraw/zinc/25/39/97/891253997.db2.gz LBRVLQNHXQPYIG-XVKPBYJWSA-N 0 3 286.332 -2.595 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1coc(C)n1 ZINC001438986656 891254128 /nfs/dbraw/zinc/25/41/28/891254128.db2.gz VKDDHZDPXRRRNA-IONNQARKSA-N 0 3 284.316 -1.202 20 0 CAADHN Cc1ccn(C)c1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001438982164 891254168 /nfs/dbraw/zinc/25/41/68/891254168.db2.gz QPTUXWCQHBEFOY-WDEREUQCSA-N 0 3 294.355 -1.098 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)c1cnnn1C ZINC001438982345 891254567 /nfs/dbraw/zinc/25/45/67/891254567.db2.gz LAAZVCOHMVGXQS-SNVBAGLBSA-N 0 3 293.331 -1.571 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001438980049 891254681 /nfs/dbraw/zinc/25/46/81/891254681.db2.gz XWYHIEGUNYHUSK-SECBINFHSA-N 0 3 283.332 -1.384 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cncnc1 ZINC001438983917 891254754 /nfs/dbraw/zinc/25/47/54/891254754.db2.gz NORXMVOKERMKSO-NSHDSACASA-N 0 3 295.343 -1.317 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001438983532 891255172 /nfs/dbraw/zinc/25/51/72/891255172.db2.gz SXRQOJJHBIVAIQ-RKDXNWHRSA-N 0 3 283.332 -1.765 20 0 CAADHN Cc1ccnc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)n1 ZINC001438981232 891255202 /nfs/dbraw/zinc/25/52/02/891255202.db2.gz ODBXTIGZNNHGJI-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1coc(C)n1 ZINC001438986657 891255551 /nfs/dbraw/zinc/25/55/51/891255551.db2.gz VKDDHZDPXRRRNA-VXNVDRBHSA-N 0 3 284.316 -1.202 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)ncn1 ZINC001438981855 891255779 /nfs/dbraw/zinc/25/57/79/891255779.db2.gz OUELCYWHLBZBPG-DTWKUNHWSA-N 0 3 281.316 -1.661 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)C1 ZINC001438980034 891255843 /nfs/dbraw/zinc/25/58/43/891255843.db2.gz LBRVLQNHXQPYIG-OIBJUYFYSA-N 0 3 286.332 -2.595 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)ncn1 ZINC001438981844 891256075 /nfs/dbraw/zinc/25/60/75/891256075.db2.gz OUELCYWHLBZBPG-BDAKNGLRSA-N 0 3 281.316 -1.661 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)C1 ZINC001438979970 891256304 /nfs/dbraw/zinc/25/63/04/891256304.db2.gz LBRVLQNHXQPYIG-GMSGAONNSA-N 0 3 286.332 -2.595 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCCOC1)NC1CC1 ZINC001438984866 891256376 /nfs/dbraw/zinc/25/63/76/891256376.db2.gz PIVVJZHFGRLGKU-CMPLNLGQSA-N 0 3 299.371 -1.242 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C1=COCCC1 ZINC001438979476 891256525 /nfs/dbraw/zinc/25/65/25/891256525.db2.gz GXPAXADSMOSBQG-ONGXEEELSA-N 0 3 285.344 -1.118 20 0 CAADHN Cc1ccn(C)c1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001438982150 891256563 /nfs/dbraw/zinc/25/65/63/891256563.db2.gz QPTUXWCQHBEFOY-GHMZBOCLSA-N 0 3 294.355 -1.098 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)ncn1 ZINC001438981857 891256936 /nfs/dbraw/zinc/25/69/36/891256936.db2.gz OUELCYWHLBZBPG-IUCAKERBSA-N 0 3 281.316 -1.661 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](O)CNCc1ccns1 ZINC001438990452 891258065 /nfs/dbraw/zinc/25/80/65/891258065.db2.gz KTLLWSLVWKIHJG-QMMMGPOBSA-N 0 3 297.344 -1.604 20 0 CAADHN Cc1cc(C)nc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001438999812 891258174 /nfs/dbraw/zinc/25/81/74/891258174.db2.gz JXGJUUMQOSSPGK-SNVBAGLBSA-N 0 3 280.328 -1.136 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnc(C2CC2)o1 ZINC001438989210 891258318 /nfs/dbraw/zinc/25/83/18/891258318.db2.gz BEMDTABIIDVUOV-QMMMGPOBSA-N 0 3 282.300 -1.282 20 0 CAADHN CN1CCCC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001438997956 891258469 /nfs/dbraw/zinc/25/84/69/891258469.db2.gz IJQVWIYBPGQZNY-VHSXEESVSA-N 0 3 272.349 -1.977 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1ccncn1)C(N)=O ZINC001438991585 891258774 /nfs/dbraw/zinc/25/87/74/891258774.db2.gz QAWCCAXFYFYAEV-MWLCHTKSSA-N 0 3 295.343 -1.650 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1ccncn1)C(N)=O ZINC001438991581 891259120 /nfs/dbraw/zinc/25/91/20/891259120.db2.gz QAWCCAXFYFYAEV-KOLCDFICSA-N 0 3 295.343 -1.650 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cccn2nccc12 ZINC001439001369 891259205 /nfs/dbraw/zinc/25/92/05/891259205.db2.gz MNRRMFLYULWIQY-VIFPVBQESA-N 0 3 291.311 -1.500 20 0 CAADHN CCc1c[nH]c(CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001438989649 891259385 /nfs/dbraw/zinc/25/93/85/891259385.db2.gz CCVHSUIWAITQFS-PSASIEDQSA-N 0 3 297.359 -1.545 20 0 CAADHN CCn1ccc(CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001438988343 891259753 /nfs/dbraw/zinc/25/97/53/891259753.db2.gz BVZXFOPUPKZGRX-KOLCDFICSA-N 0 3 297.359 -1.614 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001438996477 891259814 /nfs/dbraw/zinc/25/98/14/891259814.db2.gz PEJCWOSIUJCXLC-HTQZYQBOSA-N 0 3 279.287 -1.156 20 0 CAADHN CCn1ccc(CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001438988346 891259944 /nfs/dbraw/zinc/25/99/44/891259944.db2.gz BVZXFOPUPKZGRX-MWLCHTKSSA-N 0 3 297.359 -1.614 20 0 CAADHN CCc1c[nH]c(CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001438989655 891260777 /nfs/dbraw/zinc/26/07/77/891260777.db2.gz CCVHSUIWAITQFS-SCZZXKLOSA-N 0 3 297.359 -1.545 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001439001353 891260925 /nfs/dbraw/zinc/26/09/25/891260925.db2.gz MKVBVYCVYBJHHG-MRVPVSSYSA-N 0 3 295.343 -1.675 20 0 CAADHN CCc1ccnc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001438993046 891261341 /nfs/dbraw/zinc/26/13/41/891261341.db2.gz VDKWTOFEZXYBPL-SNVBAGLBSA-N 0 3 280.328 -1.190 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CNCC(N)=O)ccc1=O ZINC001438993949 891261526 /nfs/dbraw/zinc/26/15/26/891261526.db2.gz AEFXBDGQNLPZJZ-VIFPVBQESA-N 0 3 282.300 -2.449 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001438996482 891261571 /nfs/dbraw/zinc/26/15/71/891261571.db2.gz PEJCWOSIUJCXLC-YUMQZZPRSA-N 0 3 279.287 -1.156 20 0 CAADHN CC[C@@H](F)CNC[C@@H](O)CNC(=O)CNC(=O)NC ZINC001438999818 891261601 /nfs/dbraw/zinc/26/16/01/891261601.db2.gz SHXACPRDRUENMP-RKDXNWHRSA-N 0 3 278.328 -1.270 20 0 CAADHN CCc1ccnc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001438993045 891261788 /nfs/dbraw/zinc/26/17/88/891261788.db2.gz VDKWTOFEZXYBPL-JTQLQIEISA-N 0 3 280.328 -1.190 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001438995102 891261989 /nfs/dbraw/zinc/26/19/89/891261989.db2.gz ZDKOXSNBUPTPFF-SECBINFHSA-N 0 3 297.319 -3.028 20 0 CAADHN CC[C@H](F)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001439011294 891263293 /nfs/dbraw/zinc/26/32/93/891263293.db2.gz JHHIATUWABSSBU-RQJHMYQMSA-N 0 3 278.284 -2.004 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001439008260 891263621 /nfs/dbraw/zinc/26/36/21/891263621.db2.gz BIQXHFUSMJAROK-ONGXEEELSA-N 0 3 297.359 -1.502 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H](O)C[NH2+]C[C@H](C)O ZINC001439016221 891263871 /nfs/dbraw/zinc/26/38/71/891263871.db2.gz AVDJOSCVPYRYNB-IONNQARKSA-N 0 3 284.316 -1.448 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnc(C)n1C ZINC001439017894 891264064 /nfs/dbraw/zinc/26/40/64/891264064.db2.gz RYUVODZTYDBTQJ-SNVBAGLBSA-N 0 3 297.359 -1.455 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnc(C)n1C ZINC001439009795 891264158 /nfs/dbraw/zinc/26/41/58/891264158.db2.gz CFNBAXGOMZTJIY-VIFPVBQESA-N 0 3 283.332 -1.845 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)NC1=O ZINC001439011934 891264400 /nfs/dbraw/zinc/26/44/00/891264400.db2.gz KGKQOXUOTISOGR-RQJHMYQMSA-N 0 3 273.293 -3.438 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H](O)CNCC(N)=O)NC1=O ZINC001439011929 891264466 /nfs/dbraw/zinc/26/44/66/891264466.db2.gz KGKQOXUOTISOGR-RNFRBKRXSA-N 0 3 273.293 -3.438 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnc(C)n1C ZINC001439017892 891264941 /nfs/dbraw/zinc/26/49/41/891264941.db2.gz RYUVODZTYDBTQJ-JTQLQIEISA-N 0 3 297.359 -1.455 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001439008258 891264972 /nfs/dbraw/zinc/26/49/72/891264972.db2.gz BIQXHFUSMJAROK-KOLCDFICSA-N 0 3 297.359 -1.502 20 0 CAADHN CC[C@H](F)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001439011237 891265001 /nfs/dbraw/zinc/26/50/01/891265001.db2.gz JHHIATUWABSSBU-BQBZGAKWSA-N 0 3 278.284 -2.004 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1cccnc1 ZINC001439019503 891265029 /nfs/dbraw/zinc/26/50/29/891265029.db2.gz WXTKFOYNFJFTSE-GFCCVEGCSA-N 0 3 294.355 -1.173 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001439018668 891265211 /nfs/dbraw/zinc/26/52/11/891265211.db2.gz WQZATACXQRPGTB-RNFRBKRXSA-N 0 3 283.292 -3.221 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001439016455 891265466 /nfs/dbraw/zinc/26/54/66/891265466.db2.gz PNKAWVONTWVASP-LDYMZIIASA-N 0 3 277.296 -2.072 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)n1 ZINC001439013375 891265678 /nfs/dbraw/zinc/26/56/78/891265678.db2.gz MPQRXCXYXLOZIG-QMMMGPOBSA-N 0 3 297.319 -2.831 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1cnoc1 ZINC001439019230 891265723 /nfs/dbraw/zinc/26/57/23/891265723.db2.gz DSYIPCATGCIIST-NSHDSACASA-N 0 3 298.343 -1.238 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1cncs1 ZINC001439015845 891266169 /nfs/dbraw/zinc/26/61/69/891266169.db2.gz DGEKUAWXYNIRKI-QMMMGPOBSA-N 0 3 286.357 -1.372 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1cccnc1 ZINC001439019511 891266491 /nfs/dbraw/zinc/26/64/91/891266491.db2.gz WXTKFOYNFJFTSE-LBPRGKRZSA-N 0 3 294.355 -1.173 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnn2cccnc12 ZINC001439019068 891266526 /nfs/dbraw/zinc/26/65/26/891266526.db2.gz NVAFPKKRFNUXOP-MRVPVSSYSA-N 0 3 292.299 -2.105 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001439028899 891267897 /nfs/dbraw/zinc/26/78/97/891267897.db2.gz FQTVDCVGSJUWJW-DBIOUOCHSA-N 0 3 285.344 -1.633 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001439025990 891267949 /nfs/dbraw/zinc/26/79/49/891267949.db2.gz QVWZHRKLBZJBDD-DTWKUNHWSA-N 0 3 286.332 -2.580 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001439025605 891268145 /nfs/dbraw/zinc/26/81/45/891268145.db2.gz GEZFDYYRQRITEK-LLVKDONJSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001439023383 891268244 /nfs/dbraw/zinc/26/82/44/891268244.db2.gz KQLLEUUAFCJKOZ-APLZJWDSSA-N 0 3 285.344 -1.920 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cc(C2CC2)n[nH]1)C(N)=O ZINC001439030940 891268404 /nfs/dbraw/zinc/26/84/04/891268404.db2.gz JMQBWUBRVVNDOV-CBAPKCEASA-N 0 3 295.343 -1.159 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)C(F)(F)F ZINC001439019905 891268511 /nfs/dbraw/zinc/26/85/11/891268511.db2.gz YAZGDYASTWZYBS-RQJHMYQMSA-N 0 3 285.266 -1.003 20 0 CAADHN CCn1nc(C)cc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001439028770 891268550 /nfs/dbraw/zinc/26/85/50/891268550.db2.gz FIQAOXUVYIQDRD-UWVGGRQHSA-N 0 3 297.359 -1.234 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)nn1 ZINC001439029131 891268660 /nfs/dbraw/zinc/26/86/60/891268660.db2.gz BWZSTEZJMVIIOJ-RKDXNWHRSA-N 0 3 296.331 -2.133 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnco1)C(N)=O ZINC001439023771 891268823 /nfs/dbraw/zinc/26/88/23/891268823.db2.gz XFTCWECPSHAIJR-HTQZYQBOSA-N 0 3 270.289 -1.381 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccnnc1 ZINC001439028111 891269042 /nfs/dbraw/zinc/26/90/42/891269042.db2.gz DEWWUOAWOSLEHF-NSHDSACASA-N 0 3 295.343 -1.365 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCS(C)(=O)=O)C(N)=O ZINC001439220882 891291415 /nfs/dbraw/zinc/29/14/15/891291415.db2.gz KVEUTDUPLWNTDO-JGVFFNPUSA-N 0 3 279.362 -1.611 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)C(F)(F)F ZINC001439019894 891269156 /nfs/dbraw/zinc/26/91/56/891269156.db2.gz YAZGDYASTWZYBS-BQBZGAKWSA-N 0 3 285.266 -1.003 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n[nH]1 ZINC001439022664 891269297 /nfs/dbraw/zinc/26/92/97/891269297.db2.gz IEJHTAIRMXDIPC-UXCLJVHYSA-N 0 3 295.343 -1.428 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001439023413 891269337 /nfs/dbraw/zinc/26/93/37/891269337.db2.gz KQLLEUUAFCJKOZ-OGBGREFGSA-N 0 3 285.344 -1.920 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1c[nH]c(C)cc1=O ZINC001439030575 891269390 /nfs/dbraw/zinc/26/93/90/891269390.db2.gz FJOPKMQWWIVCQI-VIFPVBQESA-N 0 3 296.327 -1.890 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001439027367 891269558 /nfs/dbraw/zinc/26/95/58/891269558.db2.gz BYGQVPUEKHJITE-DTWKUNHWSA-N 0 3 283.332 -1.467 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1cscn1)C(N)=O ZINC001439030374 891269678 /nfs/dbraw/zinc/26/96/78/891269678.db2.gz FTIPZBATQQXFTE-APPZFPTMSA-N 0 3 286.357 -1.374 20 0 CAADHN CCn1nc(C)cc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001439028762 891269713 /nfs/dbraw/zinc/26/97/13/891269713.db2.gz FIQAOXUVYIQDRD-NXEZZACHSA-N 0 3 297.359 -1.234 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@@H](C)CNCC(N)=O ZINC001439282749 891299407 /nfs/dbraw/zinc/29/94/07/891299407.db2.gz NHGPZZKVYAXNML-QMMMGPOBSA-N 0 3 279.362 -1.609 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)n[nH]1 ZINC001439022659 891269947 /nfs/dbraw/zinc/26/99/47/891269947.db2.gz IEJHTAIRMXDIPC-SVDPJWKOSA-N 0 3 295.343 -1.428 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001439027375 891270002 /nfs/dbraw/zinc/27/00/02/891270002.db2.gz BYGQVPUEKHJITE-RKDXNWHRSA-N 0 3 283.332 -1.467 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)C(F)(F)F ZINC001439019898 891270029 /nfs/dbraw/zinc/27/00/29/891270029.db2.gz YAZGDYASTWZYBS-NKWVEPMBSA-N 0 3 285.266 -1.003 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1C ZINC001439025992 891270372 /nfs/dbraw/zinc/27/03/72/891270372.db2.gz QVWZHRKLBZJBDD-RKDXNWHRSA-N 0 3 286.332 -2.580 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1cnoc1 ZINC001439027140 891270476 /nfs/dbraw/zinc/27/04/76/891270476.db2.gz WWTCBHZZIJNFIA-WCBMZHEXSA-N 0 3 284.316 -1.582 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1c[nH]nc1C1CC1 ZINC001439029641 891270572 /nfs/dbraw/zinc/27/05/72/891270572.db2.gz CUALTDIFOYUXIZ-VIFPVBQESA-N 0 3 295.343 -1.287 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]nc1C1CC1 ZINC001439029639 891271357 /nfs/dbraw/zinc/27/13/57/891271357.db2.gz CUALTDIFOYUXIZ-SECBINFHSA-N 0 3 295.343 -1.287 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1cscn1)C(N)=O ZINC001439030392 891271478 /nfs/dbraw/zinc/27/14/78/891271478.db2.gz FTIPZBATQQXFTE-IONNQARKSA-N 0 3 286.357 -1.374 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1cscn1)C(N)=O ZINC001439030383 891271575 /nfs/dbraw/zinc/27/15/75/891271575.db2.gz FTIPZBATQQXFTE-CBAPKCEASA-N 0 3 286.357 -1.374 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)nn1 ZINC001439037443 891272011 /nfs/dbraw/zinc/27/20/11/891272011.db2.gz VBPXSUAROSZTKC-HTQZYQBOSA-N 0 3 284.320 -2.148 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)cn1 ZINC001439045990 891272087 /nfs/dbraw/zinc/27/20/87/891272087.db2.gz JJRCFKPMHKWKLV-MNOVXSKESA-N 0 3 295.343 -1.735 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cnon2)C1=O ZINC001439040103 891272154 /nfs/dbraw/zinc/27/21/54/891272154.db2.gz LYIOSTKYNIREGN-RKDXNWHRSA-N 0 3 297.315 -1.629 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)c1OC ZINC001439042733 891272183 /nfs/dbraw/zinc/27/21/83/891272183.db2.gz IHHZDRUMIVVFPS-QMMMGPOBSA-N 0 3 299.331 -2.145 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1cncn1C ZINC001439045945 891273010 /nfs/dbraw/zinc/27/30/10/891273010.db2.gz IYOWCWIWIRPXRJ-LLVKDONJSA-N 0 3 297.359 -1.835 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001439033025 891273041 /nfs/dbraw/zinc/27/30/41/891273041.db2.gz MYHKNBQLNCWWBX-JLIMGVALSA-N 0 3 271.317 -1.894 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001439031530 891273120 /nfs/dbraw/zinc/27/31/20/891273120.db2.gz LCNRTOOTHMYVAY-BDAKNGLRSA-N 0 3 286.332 -2.532 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001439039942 891273574 /nfs/dbraw/zinc/27/35/74/891273574.db2.gz CDDNDAOVHXZGLV-RKDXNWHRSA-N 0 3 283.332 -1.765 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001439039938 891274102 /nfs/dbraw/zinc/27/41/02/891274102.db2.gz CDDNDAOVHXZGLV-IUCAKERBSA-N 0 3 283.332 -1.765 20 0 CAADHN C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001439031687 891274136 /nfs/dbraw/zinc/27/41/36/891274136.db2.gz IHKQEHIYSNRZEV-ONGXEEELSA-N 0 3 297.359 -1.849 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1 ZINC001439033970 891274598 /nfs/dbraw/zinc/27/45/98/891274598.db2.gz QFDDPFSFEYDFPP-SFYZADRCSA-N 0 3 282.304 -2.616 20 0 CAADHN C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001439031669 891274710 /nfs/dbraw/zinc/27/47/10/891274710.db2.gz IHKQEHIYSNRZEV-KOLCDFICSA-N 0 3 297.359 -1.849 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC)nn1 ZINC001439031713 891275046 /nfs/dbraw/zinc/27/50/46/891275046.db2.gz IMJVDRPGDMSIEH-DTWKUNHWSA-N 0 3 298.347 -1.887 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)nn1 ZINC001439037468 891275369 /nfs/dbraw/zinc/27/53/69/891275369.db2.gz VBPXSUAROSZTKC-YUMQZZPRSA-N 0 3 284.320 -2.148 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1cscn1 ZINC001439041279 891275453 /nfs/dbraw/zinc/27/54/53/891275453.db2.gz ZFHUXXKLBLFRJN-MRVPVSSYSA-N 0 3 272.330 -1.762 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001439033962 891275739 /nfs/dbraw/zinc/27/57/39/891275739.db2.gz QFDDPFSFEYDFPP-JGVFFNPUSA-N 0 3 282.304 -2.616 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ncccc1F ZINC001439033145 891275850 /nfs/dbraw/zinc/27/58/50/891275850.db2.gz LPNXQBWEWIIFSN-SECBINFHSA-N 0 3 298.318 -1.011 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1ncccn1 ZINC001439044190 891276079 /nfs/dbraw/zinc/27/60/79/891276079.db2.gz SIJSCJVXARRTGJ-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1nc(C)oc1C ZINC001439031703 891276326 /nfs/dbraw/zinc/27/63/26/891276326.db2.gz IMIIASIQDBPXPO-SECBINFHSA-N 0 3 284.316 -1.282 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001439033032 891276505 /nfs/dbraw/zinc/27/65/05/891276505.db2.gz MYHKNBQLNCWWBX-KYXWUPHJSA-N 0 3 271.317 -1.894 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CNCC(=O)NC(C)C ZINC001439057740 891276787 /nfs/dbraw/zinc/27/67/87/891276787.db2.gz SECOGNKWSRRCQX-SNVBAGLBSA-N 0 3 297.359 -1.077 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001439048328 891277101 /nfs/dbraw/zinc/27/71/01/891277101.db2.gz ANEBSDHRCBVFGL-JGVFFNPUSA-N 0 3 295.361 -2.638 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)C[C@H]1CCNC1=O ZINC001439070060 891277233 /nfs/dbraw/zinc/27/72/33/891277233.db2.gz JJAVHNIDHZPIOY-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001439076404 891277343 /nfs/dbraw/zinc/27/73/43/891277343.db2.gz GMXQOLOEKNQVHW-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CCn1cncn1 ZINC001439074893 891277572 /nfs/dbraw/zinc/27/75/72/891277572.db2.gz OEJGXKBUHWDYKP-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001439070038 891277760 /nfs/dbraw/zinc/27/77/60/891277760.db2.gz JCTZXWBDLLCKRG-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cn1ccnc1C ZINC001439061848 891278212 /nfs/dbraw/zinc/27/82/12/891278212.db2.gz SLTBIQNXSQKWCB-KOLCDFICSA-N 0 3 297.359 -1.607 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](O)CNCc1cnon1 ZINC001439065013 891278335 /nfs/dbraw/zinc/27/83/35/891278335.db2.gz YZJOAKXNADKDDF-NSHDSACASA-N 0 3 285.348 -1.024 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccnc(C)n1 ZINC001439063111 891278867 /nfs/dbraw/zinc/27/88/67/891278867.db2.gz USONKKBOVGADCO-WCBMZHEXSA-N 0 3 295.343 -1.400 20 0 CAADHN O=C(NC[C@H](O)CNCc1cncs1)[C@@H]1CCC(=O)N1 ZINC001439049107 891278896 /nfs/dbraw/zinc/27/88/96/891278896.db2.gz RHBAKKUTCOWNIK-SCZZXKLOSA-N 0 3 298.368 -1.012 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCc2nncn2C1 ZINC001439056956 891278927 /nfs/dbraw/zinc/27/89/27/891278927.db2.gz PJZOMMSLHWSRBT-BDAKNGLRSA-N 0 3 296.331 -2.608 20 0 CAADHN C[C@@H](Oc1ccccn1)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001439046831 891279358 /nfs/dbraw/zinc/27/93/58/891279358.db2.gz KQRUIPRWAIENJW-ZJUUUORDSA-N 0 3 296.327 -1.599 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001439048335 891279587 /nfs/dbraw/zinc/27/95/87/891279587.db2.gz ANEBSDHRCBVFGL-YUMQZZPRSA-N 0 3 295.361 -2.638 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC(N)=O)C(=O)COC ZINC001439078082 891279619 /nfs/dbraw/zinc/27/96/19/891279619.db2.gz UNQDUXCNTBKQTA-MRVPVSSYSA-N 0 3 274.321 -1.346 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cccn(C)c1=O)C(N)=O ZINC001439048252 891279860 /nfs/dbraw/zinc/27/98/60/891279860.db2.gz OQFFBDQZGALRPE-RKDXNWHRSA-N 0 3 296.327 -2.061 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1cncn1C ZINC001439049125 891280137 /nfs/dbraw/zinc/28/01/37/891280137.db2.gz RLKFVYRPBMDCTA-KOLCDFICSA-N 0 3 297.359 -1.836 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cccn(C)c1=O)C(N)=O ZINC001439047914 891280233 /nfs/dbraw/zinc/28/02/33/891280233.db2.gz OQFFBDQZGALRPE-BDAKNGLRSA-N 0 3 296.327 -2.061 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001439048327 891280368 /nfs/dbraw/zinc/28/03/68/891280368.db2.gz ANEBSDHRCBVFGL-HTQZYQBOSA-N 0 3 295.361 -2.638 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001439059642 891280399 /nfs/dbraw/zinc/28/03/99/891280399.db2.gz ZCVSZJYVRRMZSJ-IONNQARKSA-N 0 3 282.300 -1.659 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001439050217 891280434 /nfs/dbraw/zinc/28/04/34/891280434.db2.gz GSVMNDIUZYNGLV-NXEZZACHSA-N 0 3 295.343 -1.371 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CCn1cncn1 ZINC001439074904 891280765 /nfs/dbraw/zinc/28/07/65/891280765.db2.gz OEJGXKBUHWDYKP-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1nnc[n-]1 ZINC001439077745 891280906 /nfs/dbraw/zinc/28/09/06/891280906.db2.gz YUPBNEVLDJDKHV-DTWKUNHWSA-N 0 3 280.332 -1.280 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1[nH]cnc1C ZINC001439054964 891281075 /nfs/dbraw/zinc/28/10/75/891281075.db2.gz OPZWRKAUXFATFC-JTQLQIEISA-N 0 3 297.359 -1.075 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CCNC1=O ZINC001439070064 891281149 /nfs/dbraw/zinc/28/11/49/891281149.db2.gz JJAVHNIDHZPIOY-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001439075649 891281242 /nfs/dbraw/zinc/28/12/42/891281242.db2.gz DEYLCHSMEUZXEB-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001439121144 891281775 /nfs/dbraw/zinc/28/17/75/891281775.db2.gz GOXKVJSPGURWAO-BDAKNGLRSA-N 0 3 293.327 -1.623 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001439087343 891281870 /nfs/dbraw/zinc/28/18/70/891281870.db2.gz CXANLWVTZFGWTM-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CNC(=O)C1CC1 ZINC001439096153 891281904 /nfs/dbraw/zinc/28/19/04/891281904.db2.gz ZFMUKAHLKINWCU-PSASIEDQSA-N 0 3 282.344 -1.505 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1COC(=O)N1 ZINC001439098932 891281969 /nfs/dbraw/zinc/28/19/69/891281969.db2.gz DAUFETBKBSLODH-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001439085857 891282133 /nfs/dbraw/zinc/28/21/33/891282133.db2.gz DSNMAMNAYLAUFZ-PSASIEDQSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001439094551 891282230 /nfs/dbraw/zinc/28/22/30/891282230.db2.gz GIIXZMUETCBKSS-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001439118734 891282315 /nfs/dbraw/zinc/28/23/15/891282315.db2.gz IKKHFQYMGWIJKM-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cnn2ncccc12 ZINC001439121899 891282413 /nfs/dbraw/zinc/28/24/13/891282413.db2.gz MOWMOPZBCKTLAY-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CC1CS(=O)(=O)C1 ZINC001439125888 891282442 /nfs/dbraw/zinc/28/24/42/891282442.db2.gz FRSPMHGMIBDMLN-SSDOTTSWSA-N 0 3 277.346 -1.999 20 0 CAADHN Cc1nn(C)c(C)c1OCC(=O)N[C@H](C)CNCC(N)=O ZINC001439108245 891282546 /nfs/dbraw/zinc/28/25/46/891282546.db2.gz AOXAOUCZLSJFMG-MRVPVSSYSA-N 0 3 297.359 -1.005 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)NC(=O)Cn2cnnn2)C1=O ZINC001439087327 891282683 /nfs/dbraw/zinc/28/26/83/891282683.db2.gz CUJHGOZWRRAPCN-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001439081515 891282812 /nfs/dbraw/zinc/28/28/12/891282812.db2.gz TYNCKNWLKBRNLA-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1ncn(C)n1 ZINC001439101480 891282951 /nfs/dbraw/zinc/28/29/51/891282951.db2.gz KWAFMEUIUCXHFR-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cocn1 ZINC001439103930 891283612 /nfs/dbraw/zinc/28/36/12/891283612.db2.gz RGEONFQWMWWBFV-SSDOTTSWSA-N 0 3 283.288 -1.162 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CN1CCCNC1=O ZINC001439122292 891283396 /nfs/dbraw/zinc/28/33/96/891283396.db2.gz AGHAGCCVGYGFPV-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001439082073 891283431 /nfs/dbraw/zinc/28/34/31/891283431.db2.gz WCNYMQKSYMXZTM-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001439108424 891283707 /nfs/dbraw/zinc/28/37/07/891283707.db2.gz CYOZEUKSORYSKK-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CNCc1ccnn1C ZINC001439116314 891283964 /nfs/dbraw/zinc/28/39/64/891283964.db2.gz VBIKQYFVIISUQY-SECBINFHSA-N 0 3 282.348 -1.057 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cn(C)cn1 ZINC001439105983 891284507 /nfs/dbraw/zinc/28/45/07/891284507.db2.gz GFAVSUBEYFYZOK-MRVPVSSYSA-N 0 3 293.331 -1.250 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001439080939 891284585 /nfs/dbraw/zinc/28/45/85/891284585.db2.gz FASOKMFVPWQPEL-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1nccnc1N ZINC001439096447 891284701 /nfs/dbraw/zinc/28/47/01/891284701.db2.gz BGERIALQFBJELU-HTQZYQBOSA-N 0 3 278.316 -1.345 20 0 CAADHN C[C@H](CNCc1cnnn1C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001439103359 891285406 /nfs/dbraw/zinc/28/54/06/891285406.db2.gz RFTCVJNUJJURQB-PWSUYJOCSA-N 0 3 296.375 -1.260 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H](C)n1cccn1 ZINC001439093022 891285434 /nfs/dbraw/zinc/28/54/34/891285434.db2.gz JKNRVSPJKVMZDO-BDAKNGLRSA-N 0 3 296.331 -1.267 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001439081507 891285690 /nfs/dbraw/zinc/28/56/90/891285690.db2.gz TYNCKNWLKBRNLA-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001439098890 891285814 /nfs/dbraw/zinc/28/58/14/891285814.db2.gz GFPPEPJQFKIDFO-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN CO[C@H](C)C(=O)N[C@H](C)CNCC(=O)N1CCOCC1 ZINC001439094089 891285905 /nfs/dbraw/zinc/28/59/05/891285905.db2.gz UJCULGWSPVOIQP-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C(C)(C)S(C)(=O)=O ZINC001439158308 891286646 /nfs/dbraw/zinc/28/66/46/891286646.db2.gz GIAGVQANERTJJY-SFYZADRCSA-N 0 3 293.389 -1.222 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnsn1 ZINC001439191377 891286745 /nfs/dbraw/zinc/28/67/45/891286745.db2.gz DFTBLOAJJIRLPG-LURJTMIESA-N 0 3 297.344 -1.132 20 0 CAADHN CCN1CCO[C@H](C(=O)N[C@H](C)CNCC(=O)NC)C1 ZINC001439180479 891286908 /nfs/dbraw/zinc/28/69/08/891286908.db2.gz FQEXZUDEALKUGY-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001439168724 891286990 /nfs/dbraw/zinc/28/69/90/891286990.db2.gz FOVGHIRZRWUVQF-RNCFNFMXSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CN1CCCC1=O ZINC001439190597 891287326 /nfs/dbraw/zinc/28/73/26/891287326.db2.gz XZEYBLGOHVJIOT-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnn(C)n1 ZINC001439160607 891287546 /nfs/dbraw/zinc/28/75/46/891287546.db2.gz BJEQIUWNTYADHY-SSDOTTSWSA-N 0 3 294.319 -1.855 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)n[nH]1 ZINC001439137962 891287784 /nfs/dbraw/zinc/28/77/84/891287784.db2.gz FXAIWCKVDNEUPC-APPZFPTMSA-N 0 3 295.347 -1.269 20 0 CAADHN CCn1cc(C(=O)N[C@H](C)CN[C@H]2CCNC2=O)nn1 ZINC001439164797 891287859 /nfs/dbraw/zinc/28/78/59/891287859.db2.gz WGZSXTUICQZZGE-BDAKNGLRSA-N 0 3 280.332 -1.106 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CN1CCCC1=O ZINC001439190598 891287915 /nfs/dbraw/zinc/28/79/15/891287915.db2.gz XZEYBLGOHVJIOT-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001439164794 891287937 /nfs/dbraw/zinc/28/79/37/891287937.db2.gz WBSWAHHSGMMOIA-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001439192163 891288028 /nfs/dbraw/zinc/28/80/28/891288028.db2.gz AMARIXZTCMYDDB-GXSJLCMTSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001439162963 891288177 /nfs/dbraw/zinc/28/81/77/891288177.db2.gz YNIUBSUBLHFHOP-PSASIEDQSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnn(C)c1 ZINC001439186781 891288226 /nfs/dbraw/zinc/28/82/26/891288226.db2.gz GMGWMZSKUNWWSI-QMMMGPOBSA-N 0 3 293.331 -1.250 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001439185953 891288329 /nfs/dbraw/zinc/28/83/29/891288329.db2.gz YCCDWUQKMSHHQZ-RKDXNWHRSA-N 0 3 295.343 -1.680 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)Cn1cnnn1 ZINC001439189983 891288438 /nfs/dbraw/zinc/28/84/38/891288438.db2.gz WAWQUGVELUTFGZ-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001439138562 891288530 /nfs/dbraw/zinc/28/85/30/891288530.db2.gz JYQAJLBZLIHBPE-PSASIEDQSA-N 0 3 297.359 -1.617 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N[C@H](C)CNCC(N)=O ZINC001439165032 891288598 /nfs/dbraw/zinc/28/85/98/891288598.db2.gz ZHZKHEADBDKBMP-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN CCN1CCO[C@@H](C(=O)N[C@H](C)CNCC(=O)NC)C1 ZINC001439180477 891288737 /nfs/dbraw/zinc/28/87/37/891288737.db2.gz FQEXZUDEALKUGY-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001439183610 891288772 /nfs/dbraw/zinc/28/87/72/891288772.db2.gz BVIQHOSJBKTGBW-QMMMGPOBSA-N 0 3 270.333 -1.505 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)Cn1cnnn1 ZINC001439188777 891289131 /nfs/dbraw/zinc/28/91/31/891289131.db2.gz QILFDXXTNFWDOP-VIFPVBQESA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001439145309 891289163 /nfs/dbraw/zinc/28/91/63/891289163.db2.gz QHCHDZILRQQEPM-KGDYZURWSA-N 0 3 298.343 -1.444 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N[C@H](C)CNCC(=O)NC ZINC001439156353 891289466 /nfs/dbraw/zinc/28/94/66/891289466.db2.gz LGZHDRVZLPUPOO-PSASIEDQSA-N 0 3 272.349 -1.259 20 0 CAADHN CCn1cc(C(=O)N[C@H](C)CN[C@@H]2CCNC2=O)nn1 ZINC001439164798 891289496 /nfs/dbraw/zinc/28/94/96/891289496.db2.gz WGZSXTUICQZZGE-RKDXNWHRSA-N 0 3 280.332 -1.106 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ncc[nH]1 ZINC001439157279 891290419 /nfs/dbraw/zinc/29/04/19/891290419.db2.gz XGWHIIMEIUXAGL-SSDOTTSWSA-N 0 3 279.304 -1.260 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001439162965 891290688 /nfs/dbraw/zinc/29/06/88/891290688.db2.gz YNIUBSUBLHFHOP-SCZZXKLOSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)COCC1CC1 ZINC001439196043 891290886 /nfs/dbraw/zinc/29/08/86/891290886.db2.gz TUJHQRLFGGRYBY-QMMMGPOBSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001439229986 891291458 /nfs/dbraw/zinc/29/14/58/891291458.db2.gz HHCDCIAAVUAUJX-DTWKUNHWSA-N 0 3 291.373 -1.739 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001439219472 891291702 /nfs/dbraw/zinc/29/17/02/891291702.db2.gz GEKODJCJQQPSMQ-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)Cn1ncnn1 ZINC001439239106 891291774 /nfs/dbraw/zinc/29/17/74/891291774.db2.gz JRFMVRGTKTXMCU-ZETCQYMHSA-N 0 3 295.307 -2.611 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001439255779 891292359 /nfs/dbraw/zinc/29/23/59/891292359.db2.gz WALIXVQPRQFCBQ-DTWKUNHWSA-N 0 3 295.347 -1.795 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)CS(C)(=O)=O)n[nH]1 ZINC001439199935 891292397 /nfs/dbraw/zinc/29/23/97/891292397.db2.gz LNUUJEQWHXOXAR-ZETCQYMHSA-N 0 3 289.361 -1.248 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1ccn(C)c(=O)c1 ZINC001439224233 891292490 /nfs/dbraw/zinc/29/24/90/891292490.db2.gz UWNJPCRSFJRKRK-ONGXEEELSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@]1(F)CCOC1 ZINC001439245842 891292978 /nfs/dbraw/zinc/29/29/78/891292978.db2.gz YAFVKSRKCPOUGF-CPCISQLKSA-N 0 3 290.295 -1.596 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CC1CS(=O)(=O)C1)C(N)=O ZINC001439228673 891293088 /nfs/dbraw/zinc/29/30/88/891293088.db2.gz YXTNSQGKFCFZQJ-JGVFFNPUSA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ccnnc1 ZINC001439253900 891293231 /nfs/dbraw/zinc/29/32/31/891293231.db2.gz ASWZHOBTQDGZFL-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccnnc1)C(=O)NC(N)=O ZINC001439253899 891293601 /nfs/dbraw/zinc/29/36/01/891293601.db2.gz ASWZHOBTQDGZFL-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)Cc1ccon1 ZINC001439199343 891293860 /nfs/dbraw/zinc/29/38/60/891293860.db2.gz JUSUTDRKDHORBL-QMMMGPOBSA-N 0 3 297.315 -1.233 20 0 CAADHN CO[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)C(C)C ZINC001439247436 891293897 /nfs/dbraw/zinc/29/38/97/891293897.db2.gz WQRXMZOJGKVBJV-WCBMZHEXSA-N 0 3 288.348 -1.053 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001439211919 891293973 /nfs/dbraw/zinc/29/39/73/891293973.db2.gz CYOZEUKSORYSKK-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccc2n[nH]nc2n1)C(N)=O ZINC001439218939 891294010 /nfs/dbraw/zinc/29/40/10/891294010.db2.gz YAXNEKXURDKPOH-NKWVEPMBSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)COCc1nccn1C)C(N)=O ZINC001439218741 891294083 /nfs/dbraw/zinc/29/40/83/891294083.db2.gz BJVXZSRVMCJLLT-VHSXEESVSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)COCc1nccn1C ZINC001439218730 891294368 /nfs/dbraw/zinc/29/43/68/891294368.db2.gz BJVXZSRVMCJLLT-UWVGGRQHSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ncn(C)n1 ZINC001439209262 891294817 /nfs/dbraw/zinc/29/48/17/891294817.db2.gz JYDKKOBZLHIAIA-ZETCQYMHSA-N 0 3 294.319 -1.855 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CN1CCNC(=O)C1 ZINC001439239770 891294851 /nfs/dbraw/zinc/29/48/51/891294851.db2.gz SQJJWPQQXAOJMC-JTQLQIEISA-N 0 3 299.375 -2.399 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ncn(C)n1)C(=O)N(C)C ZINC001439209289 891294966 /nfs/dbraw/zinc/29/49/66/891294966.db2.gz KWAFMEUIUCXHFR-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001439241676 891295013 /nfs/dbraw/zinc/29/50/13/891295013.db2.gz FJECLSANXCLRAN-ZETCQYMHSA-N 0 3 281.316 -1.055 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)C[C@H]1CCNC1=O ZINC001439212492 891295144 /nfs/dbraw/zinc/29/51/44/891295144.db2.gz CZCDGZZGSLPFLQ-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](OC)C(=O)N[C@@H](C)CNCC(=O)NC(=O)NC ZINC001439199304 891295215 /nfs/dbraw/zinc/29/52/15/891295215.db2.gz WEUDLQOLQZXANG-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccnn1C)C(=O)NC(N)=O ZINC001439196619 891295583 /nfs/dbraw/zinc/29/55/83/891295583.db2.gz RLUWQFWDHSUSGY-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCNS(C)(=O)=O ZINC001439213430 891295609 /nfs/dbraw/zinc/29/56/09/891295609.db2.gz KQAQKSVGWFZZHK-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccc2nnnn2c1)C(N)=O ZINC001439231604 891295734 /nfs/dbraw/zinc/29/57/34/891295734.db2.gz ZXKVTXGIUNZLIH-JGVFFNPUSA-N 0 3 291.315 -1.294 20 0 CAADHN Cc1nn(C)c(C)c1OCC(=O)N[C@@H](C)CNCC(N)=O ZINC001439211849 891295773 /nfs/dbraw/zinc/29/57/73/891295773.db2.gz AOXAOUCZLSJFMG-QMMMGPOBSA-N 0 3 297.359 -1.005 20 0 CAADHN C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001439259799 891297046 /nfs/dbraw/zinc/29/70/46/891297046.db2.gz TXAJOFRPGMDFOM-IUCAKERBSA-N 0 3 299.375 -1.323 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cnon1 ZINC001439266733 891297210 /nfs/dbraw/zinc/29/72/10/891297210.db2.gz USVGWJVESQPESG-LURJTMIESA-N 0 3 284.276 -1.767 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCCC(=O)N(C)C ZINC001439272969 891297910 /nfs/dbraw/zinc/29/79/10/891297910.db2.gz CHPKMISJEVLELX-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CCN1CCO[C@H](C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001439292910 891298217 /nfs/dbraw/zinc/29/82/17/891298217.db2.gz IYMVUPDSLGEMOQ-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001439278337 891299189 /nfs/dbraw/zinc/29/91/89/891299189.db2.gz XRXLEESJLDMKAH-QMMMGPOBSA-N 0 3 281.316 -1.766 20 0 CAADHN Cc1nn(CC(=O)N[C@@H](C)CNCC(N)=O)c(=O)n1C ZINC001439277082 891300160 /nfs/dbraw/zinc/30/01/60/891300160.db2.gz NGMBTKBLTVFJGS-ZETCQYMHSA-N 0 3 284.320 -2.530 20 0 CAADHN Cc1nccc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)n1 ZINC001439284051 891300263 /nfs/dbraw/zinc/30/02/63/891300263.db2.gz VBEMBDPOTCSABI-ZETCQYMHSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001439256397 891300359 /nfs/dbraw/zinc/30/03/59/891300359.db2.gz IUDQPMSEZMNABE-IUCAKERBSA-N 0 3 293.327 -1.292 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001439276953 891300437 /nfs/dbraw/zinc/30/04/37/891300437.db2.gz TYAYTTIYBZWQOX-WPRPVWTQSA-N 0 3 282.344 -1.362 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001439398983 891302541 /nfs/dbraw/zinc/30/25/41/891302541.db2.gz HMWDJDQEWRSFRN-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001439370347 891303214 /nfs/dbraw/zinc/30/32/14/891303214.db2.gz ZMFDNBBFGKJBGN-IUCAKERBSA-N 0 3 286.336 -1.733 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CCS(=O)(=O)N(C)C ZINC001439412076 891303690 /nfs/dbraw/zinc/30/36/90/891303690.db2.gz XSQGJCGANJXKBV-JTQLQIEISA-N 0 3 295.405 -1.303 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H](C)CN(C)CCO ZINC001439334596 891304458 /nfs/dbraw/zinc/30/44/58/891304458.db2.gz SUNYGBGAIIZRLJ-SNVBAGLBSA-N 0 3 275.349 -1.480 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)CCNC(N)=O ZINC001439401708 891304550 /nfs/dbraw/zinc/30/45/50/891304550.db2.gz CZYGTDXLCOWPOD-JTQLQIEISA-N 0 3 297.363 -1.227 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001439498549 891307315 /nfs/dbraw/zinc/30/73/15/891307315.db2.gz JWLXLMISQFXMKP-UWVGGRQHSA-N 0 3 297.359 -1.582 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)CNC(=O)C1CC1)C1CC1)C(N)=O ZINC001439449187 891307645 /nfs/dbraw/zinc/30/76/45/891307645.db2.gz NBJZRTQDZGTACI-LDYMZIIASA-N 0 3 296.371 -1.129 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001439445908 891308527 /nfs/dbraw/zinc/30/85/27/891308527.db2.gz CRQDVBOSWCRGHD-NWDGAFQWSA-N 0 3 296.371 -1.162 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCN1C(C)C ZINC001439538684 891308576 /nfs/dbraw/zinc/30/85/76/891308576.db2.gz MNWXKXMUYUHHOT-NSHDSACASA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001439445906 891308958 /nfs/dbraw/zinc/30/89/58/891308958.db2.gz CRQDVBOSWCRGHD-NEPJUHHUSA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)c1ncn(CC(=O)NC[C@H]2CCN2CC2CC2)n1 ZINC001439526241 891309204 /nfs/dbraw/zinc/30/92/04/891309204.db2.gz QKIDNDRQEYDYIX-SNVBAGLBSA-N 0 3 292.343 -1.023 20 0 CAADHN CN1C[C@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)NC1=O ZINC001439468344 891310142 /nfs/dbraw/zinc/31/01/42/891310142.db2.gz CFSPGOMEWXMVEZ-RKDXNWHRSA-N 0 3 283.332 -2.020 20 0 CAADHN CC(=O)NCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001439579218 891311530 /nfs/dbraw/zinc/31/15/30/891311530.db2.gz DTOZTJDVKGYRQC-JTQLQIEISA-N 0 3 282.344 -1.361 20 0 CAADHN CC[C@@H](NC1(CNC(=O)CNC(=O)NC)CC1)C(N)=O ZINC001439613725 891312246 /nfs/dbraw/zinc/31/22/46/891312246.db2.gz TWKLJOYIMRUAAX-MRVPVSSYSA-N 0 3 285.348 -1.582 20 0 CAADHN CC[C@H](NC1(CNC(=O)CNC(=O)NC)CC1)C(N)=O ZINC001439613729 891312369 /nfs/dbraw/zinc/31/23/69/891312369.db2.gz TWKLJOYIMRUAAX-QMMMGPOBSA-N 0 3 285.348 -1.582 20 0 CAADHN CC(C)N1CC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001439560889 891313305 /nfs/dbraw/zinc/31/33/05/891313305.db2.gz PDBFAJCFOMLIBD-SNVBAGLBSA-N 0 3 292.405 -1.019 20 0 CAADHN CC[C@@H](C(=O)NC[C@H]1CCN1CC(=O)NC(N)=O)N(C)C ZINC001439572528 891315068 /nfs/dbraw/zinc/31/50/68/891315068.db2.gz MOHITXFEZBEYJO-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@@H](NC1(CNC(=O)c2cnnn2C)CC1)C(N)=O ZINC001439600860 891315229 /nfs/dbraw/zinc/31/52/29/891315229.db2.gz LAQPBPHMUYTQGN-MRVPVSSYSA-N 0 3 280.332 -1.069 20 0 CAADHN NC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)c1cnc[n-]c1=O ZINC001439774906 891321043 /nfs/dbraw/zinc/32/10/43/891321043.db2.gz OKAZALAKXKEDOF-QMMMGPOBSA-N 0 3 279.300 -1.138 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001439781824 891321408 /nfs/dbraw/zinc/32/14/08/891321408.db2.gz FFCKUDMOKZXCHX-YUMQZZPRSA-N 0 3 297.315 -2.350 20 0 CAADHN CCn1cc(C(=O)N2CCC[C@H]2CNCC(N)=O)nn1 ZINC001439785504 891322401 /nfs/dbraw/zinc/32/24/01/891322401.db2.gz UEZAXMJIJVTMQX-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)c1nnn(C)n1)C(N)=O ZINC001439785146 891322880 /nfs/dbraw/zinc/32/28/80/891322880.db2.gz HRELIRUYVMVDLA-YUMQZZPRSA-N 0 3 281.320 -1.722 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CCCC1 ZINC001439819125 891323277 /nfs/dbraw/zinc/32/32/77/891323277.db2.gz UTMZIXGZNJKEAP-VWYCJHECSA-N 0 3 296.371 -1.142 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CO[C@H]1CCOC1 ZINC001439762555 891323921 /nfs/dbraw/zinc/32/39/21/891323921.db2.gz CJUYAHVBIGVKLY-QWRGUYRKSA-N 0 3 285.344 -1.142 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001439767224 891323578 /nfs/dbraw/zinc/32/35/78/891323578.db2.gz MXEDFJWSMWFSHU-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN CN(CC(=O)N1CCC[C@H]1CNCC(N)=O)C(=O)C1CC1 ZINC001439768669 891323999 /nfs/dbraw/zinc/32/39/99/891323999.db2.gz GNANTBKIADBRGS-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001439764388 891324351 /nfs/dbraw/zinc/32/43/51/891324351.db2.gz INIPZHMHTYOVEI-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001439786768 891324383 /nfs/dbraw/zinc/32/43/83/891324383.db2.gz NVMYPMOKAXESJH-QMMMGPOBSA-N 0 3 281.320 -1.850 20 0 CAADHN C[C@@]1(NC(=O)CCNS(C)(=O)=O)CCN(CCO)C1 ZINC001439849173 891325079 /nfs/dbraw/zinc/32/50/79/891325079.db2.gz UEVVMTDHJRTGNV-LLVKDONJSA-N 0 3 293.389 -1.501 20 0 CAADHN C[C@]1(NC(=O)CN2CCCNC2=O)CCN(CCO)C1 ZINC001439846310 891325437 /nfs/dbraw/zinc/32/54/37/891325437.db2.gz GYZVJWLYQLQUFC-ZDUSSCGKSA-N 0 3 284.360 -1.025 20 0 CAADHN CN1CCCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001439895839 891328433 /nfs/dbraw/zinc/32/84/33/891328433.db2.gz SNJSXMYFIKMXRZ-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001439987440 891331515 /nfs/dbraw/zinc/33/15/15/891331515.db2.gz XFKYDHRZQRORNT-ZWNOBZJWSA-N 0 3 285.344 -1.536 20 0 CAADHN Cc1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)n(C)n1 ZINC001439985668 891331661 /nfs/dbraw/zinc/33/16/61/891331661.db2.gz RVUUBWGNCJQKQF-ZDUSSCGKSA-N 0 3 282.344 -1.113 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cn[nH]c(=O)c1 ZINC001439990041 891332113 /nfs/dbraw/zinc/33/21/13/891332113.db2.gz FUNFKSWNHLQXHA-LBPRGKRZSA-N 0 3 282.300 -1.659 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H]2COCCO2)C1 ZINC001439986527 891332781 /nfs/dbraw/zinc/33/27/81/891332781.db2.gz SXEWIIVMTGWFHQ-DGCLKSJQSA-N 0 3 288.344 -1.399 20 0 CAADHN COC[C@@H](C)N1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001439995100 891334134 /nfs/dbraw/zinc/33/41/34/891334134.db2.gz BQVZOPWXJBOOPV-BXKDBHETSA-N 0 3 298.347 -1.588 20 0 CAADHN C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001439984851 891334304 /nfs/dbraw/zinc/33/43/04/891334304.db2.gz VWOFKGGHVIILLE-GXFFZTMASA-N 0 3 297.359 -1.329 20 0 CAADHN C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001439984851 891334321 /nfs/dbraw/zinc/33/43/21/891334321.db2.gz VWOFKGGHVIILLE-GXFFZTMASA-N 0 3 297.359 -1.329 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cnn2c1CCC2 ZINC001439993559 891335256 /nfs/dbraw/zinc/33/52/56/891335256.db2.gz XVEQAPXOBZYYMF-AWEZNQCLSA-N 0 3 294.355 -1.012 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cc2n(n1)CCO2 ZINC001439994014 891335452 /nfs/dbraw/zinc/33/54/52/891335452.db2.gz ZQOQKWVYMGCTIL-CYBMUJFWSA-N 0 3 296.327 -1.566 20 0 CAADHN C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001439984853 891336696 /nfs/dbraw/zinc/33/66/96/891336696.db2.gz VWOFKGGHVIILLE-MFKMUULPSA-N 0 3 297.359 -1.329 20 0 CAADHN C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001439984853 891336712 /nfs/dbraw/zinc/33/67/12/891336712.db2.gz VWOFKGGHVIILLE-MFKMUULPSA-N 0 3 297.359 -1.329 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001439986518 891338161 /nfs/dbraw/zinc/33/81/61/891338161.db2.gz SXEWIIVMTGWFHQ-AAEUAGOBSA-N 0 3 288.344 -1.399 20 0 CAADHN CCOCC(=O)NC[C@]1(O)CCN(CCn2cncn2)C1 ZINC001439983240 891338352 /nfs/dbraw/zinc/33/83/52/891338352.db2.gz YXGBJTXUXKPTNB-CYBMUJFWSA-N 0 3 297.359 -1.132 20 0 CAADHN COC[C@H](C)N1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001439995510 891339723 /nfs/dbraw/zinc/33/97/23/891339723.db2.gz BQVZOPWXJBOOPV-JOYOIKCWSA-N 0 3 298.347 -1.588 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)c[nH]1 ZINC001440023208 891340254 /nfs/dbraw/zinc/34/02/54/891340254.db2.gz MJGBNERYHQLQNW-CYBMUJFWSA-N 0 3 296.327 -1.728 20 0 CAADHN COC[C@@H](C)N1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001439995514 891340344 /nfs/dbraw/zinc/34/03/44/891340344.db2.gz BQVZOPWXJBOOPV-SKDRFNHKSA-N 0 3 298.347 -1.588 20 0 CAADHN CN1CCN(CCCNC(=O)C2(O)COC2)CC1 ZINC001440649199 891377875 /nfs/dbraw/zinc/37/78/75/891377875.db2.gz WXTFIGCSIWCMDQ-UHFFFAOYSA-N 0 3 257.334 -1.499 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)Cn2cncn2)C1 ZINC001440018548 891340812 /nfs/dbraw/zinc/34/08/12/891340812.db2.gz BHYBGBJDLNRPHH-GFCCVEGCSA-N 0 3 283.332 -1.523 20 0 CAADHN COCC[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001440019702 891341424 /nfs/dbraw/zinc/34/14/24/891341424.db2.gz HDAPKAXAPILIPT-LBPRGKRZSA-N 0 3 283.332 -1.453 20 0 CAADHN O=C(CCc1ncccn1)NC[C@]1(O)CCN(CCO)C1 ZINC001440011505 891340959 /nfs/dbraw/zinc/34/09/59/891340959.db2.gz YJIQXCARYLHHIY-CQSZACIVSA-N 0 3 294.355 -1.046 20 0 CAADHN COCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001440019702 891341409 /nfs/dbraw/zinc/34/14/09/891341409.db2.gz HDAPKAXAPILIPT-LBPRGKRZSA-N 0 3 283.332 -1.453 20 0 CAADHN C[C@]1(C(=O)NC[C@]2(O)CCN(CCO)C2)CCOC1 ZINC001440007062 891342125 /nfs/dbraw/zinc/34/21/25/891342125.db2.gz IBURKFGOBBOJBG-QWHCGFSZSA-N 0 3 272.345 -1.042 20 0 CAADHN C[C@]1(C(=O)NC[C@@]2(O)CCN(CCO)C2)CCOC1 ZINC001440007064 891344189 /nfs/dbraw/zinc/34/41/89/891344189.db2.gz IBURKFGOBBOJBG-STQMWFEESA-N 0 3 272.345 -1.042 20 0 CAADHN C[C@@]1(C(=O)NC[C@]2(O)CCN(CCO)C2)CCOC1 ZINC001440007058 891344466 /nfs/dbraw/zinc/34/44/66/891344466.db2.gz IBURKFGOBBOJBG-CHWSQXEVSA-N 0 3 272.345 -1.042 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001440200897 891355412 /nfs/dbraw/zinc/35/54/12/891355412.db2.gz QRJAMSRSEQDSMD-IUCAKERBSA-N 0 3 288.348 -2.205 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ccncc1)C(N)=O ZINC001440200204 891355516 /nfs/dbraw/zinc/35/55/16/891355516.db2.gz NRLAHVYRSMYRET-JTQLQIEISA-N 0 3 280.328 -1.021 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)[nH]n1 ZINC001440198170 891355820 /nfs/dbraw/zinc/35/58/20/891355820.db2.gz FRSZXAKICWFWON-VIFPVBQESA-N 0 3 283.332 -1.384 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)n[nH]1 ZINC001440198170 891355832 /nfs/dbraw/zinc/35/58/32/891355832.db2.gz FRSZXAKICWFWON-VIFPVBQESA-N 0 3 283.332 -1.384 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)no1 ZINC001440198423 891357058 /nfs/dbraw/zinc/35/70/58/891357058.db2.gz DMCYKKFQPJDHNC-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN COCC(=O)N(CCO)CCN[C@@H](C)C(=O)N(C)C ZINC001440200841 891357149 /nfs/dbraw/zinc/35/71/49/891357149.db2.gz QAIVHWMRLINPHZ-JTQLQIEISA-N 0 3 275.349 -1.480 20 0 CAADHN C[C@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C[NH2+]CC(N)=O ZINC001440138660 891359155 /nfs/dbraw/zinc/35/91/55/891359155.db2.gz ZXDXJHSPKCYCDV-DTWKUNHWSA-N 0 3 293.327 -1.035 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001440116814 891359378 /nfs/dbraw/zinc/35/93/78/891359378.db2.gz OPWUIRLTTVSBPI-BDAKNGLRSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001440116822 891359401 /nfs/dbraw/zinc/35/94/01/891359401.db2.gz OPWUIRLTTVSBPI-RKDXNWHRSA-N 0 3 280.332 -1.009 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1C[NH2+]CC(N)=O ZINC001440138657 891359540 /nfs/dbraw/zinc/35/95/40/891359540.db2.gz ZXDXJHSPKCYCDV-BDAKNGLRSA-N 0 3 293.327 -1.035 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)Cc1cnc[nH]1 ZINC001440211301 891360158 /nfs/dbraw/zinc/36/01/58/891360158.db2.gz ZSXBMWOCFPAKPM-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cncn1C ZINC001440212721 891360322 /nfs/dbraw/zinc/36/03/22/891360322.db2.gz YXCUBHKIPOTHLD-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN COC1CC(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)C1 ZINC001440206384 891360576 /nfs/dbraw/zinc/36/05/76/891360576.db2.gz KPVRUPOQXUXZCR-HTAVTVPLSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001440207442 891360811 /nfs/dbraw/zinc/36/08/11/891360811.db2.gz NHOKCHHVFALALA-WYUUTHIRSA-N 0 3 299.371 -1.576 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ncc[nH]1)C(=O)N(C)C ZINC001440203777 891361016 /nfs/dbraw/zinc/36/10/16/891361016.db2.gz XEOHFVQCAUVMDH-JTQLQIEISA-N 0 3 297.359 -1.090 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)Cc1cnc[nH]1 ZINC001440211295 891361127 /nfs/dbraw/zinc/36/11/27/891361127.db2.gz ZSXBMWOCFPAKPM-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN CCn1cc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)nn1 ZINC001440203915 891361868 /nfs/dbraw/zinc/36/18/68/891361868.db2.gz GEKFNENEVQLUIS-SECBINFHSA-N 0 3 298.347 -1.804 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cncn1C ZINC001440212725 891361894 /nfs/dbraw/zinc/36/18/94/891361894.db2.gz YXCUBHKIPOTHLD-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN O=C(C1=COCCO1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001440202199 891362129 /nfs/dbraw/zinc/36/21/29/891362129.db2.gz VVDTWBZJPJISQF-SNVBAGLBSA-N 0 3 299.327 -1.826 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@H]1COCCO1)C(N)=O ZINC001440204432 891363192 /nfs/dbraw/zinc/36/31/92/891363192.db2.gz ZUXJHRYMNVUKAN-ZJUUUORDSA-N 0 3 289.332 -2.314 20 0 CAADHN Cc1nnccc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001440205006 891363486 /nfs/dbraw/zinc/36/34/86/891363486.db2.gz HPHGLQWREBPOOS-JTQLQIEISA-N 0 3 295.343 -1.317 20 0 CAADHN CNC(=O)CNC1(CNC(=O)c2c[nH]c(=O)cn2)CCC1 ZINC001440332385 891364457 /nfs/dbraw/zinc/36/44/57/891364457.db2.gz KKYXGLWBEQHYDC-UHFFFAOYSA-N 0 3 293.327 -1.242 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CCNC(=O)C2)CCC1 ZINC001440299266 891364905 /nfs/dbraw/zinc/36/49/05/891364905.db2.gz NAKDHQANVWTMCL-JTQLQIEISA-N 0 3 296.371 -1.113 20 0 CAADHN Cn1c(C(=O)NCC2(NCC(N)=O)CCC2)c[nH]c1=O ZINC001440320746 891365001 /nfs/dbraw/zinc/36/50/01/891365001.db2.gz RUSLHRXMWXAUKK-UHFFFAOYSA-N 0 3 281.316 -1.147 20 0 CAADHN NC(=O)CNC1(CNC(=O)CO[C@H]2CCOC2)CCC1 ZINC001440306115 891365063 /nfs/dbraw/zinc/36/50/63/891365063.db2.gz WFKAPYPGWNMRSI-JTQLQIEISA-N 0 3 285.344 -1.094 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001440361116 891365167 /nfs/dbraw/zinc/36/51/67/891365167.db2.gz KBGSGZHREVKNSE-SNVBAGLBSA-N 0 3 295.343 -1.072 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cnn(C)c2)CCO1)C(N)=O ZINC001440359963 891365457 /nfs/dbraw/zinc/36/54/57/891365457.db2.gz HXBQTFYJPUJCGZ-KOLCDFICSA-N 0 3 295.343 -1.276 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001440361111 891365813 /nfs/dbraw/zinc/36/58/13/891365813.db2.gz KBGSGZHREVKNSE-JTQLQIEISA-N 0 3 295.343 -1.072 20 0 CAADHN NC(=O)CNC1(CNC(=O)CO[C@@H]2CCOC2)CCC1 ZINC001440306127 891366192 /nfs/dbraw/zinc/36/61/92/891366192.db2.gz WFKAPYPGWNMRSI-SNVBAGLBSA-N 0 3 285.344 -1.094 20 0 CAADHN COCC(=O)N1CCO[C@@H](CNCC(=O)NC2CC2)C1 ZINC001440352542 891366337 /nfs/dbraw/zinc/36/63/37/891366337.db2.gz BHIRJZJEOFSBPO-NSHDSACASA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CN2CCOCC2)CCC1 ZINC001440306269 891366770 /nfs/dbraw/zinc/36/67/70/891366770.db2.gz KPCMAHHSFQRFCG-UHFFFAOYSA-N 0 3 298.387 -1.307 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H](C)NC(C)=O)CCC1 ZINC001440287777 891366868 /nfs/dbraw/zinc/36/68/68/891366868.db2.gz ZOLDZRFJVMNQCJ-SECBINFHSA-N 0 3 284.360 -1.115 20 0 CAADHN Cn1cnc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)c1 ZINC001440379163 891368102 /nfs/dbraw/zinc/36/81/02/891368102.db2.gz PBECKATTZYRUGU-VIFPVBQESA-N 0 3 281.316 -1.664 20 0 CAADHN CC[C@H](OC)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001440364760 891368336 /nfs/dbraw/zinc/36/83/36/891368336.db2.gz BMNNJBGWJLYZOC-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1)C(N)=O ZINC001440386265 891368422 /nfs/dbraw/zinc/36/84/22/891368422.db2.gz UIJJSUPVBXBUBO-YUMQZZPRSA-N 0 3 299.306 -1.147 20 0 CAADHN CCn1cnc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)c1 ZINC001440379898 891368477 /nfs/dbraw/zinc/36/84/77/891368477.db2.gz WLGJKYILKFZGPM-SNVBAGLBSA-N 0 3 295.343 -1.181 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)CCO1 ZINC001440366712 891368890 /nfs/dbraw/zinc/36/88/90/891368890.db2.gz DOAGKDQNFYAABP-SECBINFHSA-N 0 3 294.311 -1.297 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2n[nH]cc2F)CCO1)C(N)=O ZINC001440385559 891369315 /nfs/dbraw/zinc/36/93/15/891369315.db2.gz UIJJSUPVBXBUBO-HTQZYQBOSA-N 0 3 299.306 -1.147 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNCC(N)=O ZINC001440411088 891369454 /nfs/dbraw/zinc/36/94/54/891369454.db2.gz ATWKUCGANNKHRB-KOLCDFICSA-N 0 3 284.360 -1.176 20 0 CAADHN CO[C@H](C)CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001440384376 891369480 /nfs/dbraw/zinc/36/94/80/891369480.db2.gz UUWIXTPPNWCRMU-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001440373643 891370187 /nfs/dbraw/zinc/37/01/87/891370187.db2.gz IJXVNWDEEJSBPX-LLVKDONJSA-N 0 3 299.371 -1.146 20 0 CAADHN CC[C@H](OC)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001440364758 891370818 /nfs/dbraw/zinc/37/08/18/891370818.db2.gz BMNNJBGWJLYZOC-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@@H](N(CCO)CCO)C2)n1 ZINC001440442618 891371308 /nfs/dbraw/zinc/37/13/08/891371308.db2.gz AHFGDDKHOYQOGL-LLVKDONJSA-N 0 3 297.359 -1.294 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCO[C@H](CNCC(N)=O)C2)C1 ZINC001440385143 891372154 /nfs/dbraw/zinc/37/21/54/891372154.db2.gz RLQOHLLHLFBEPK-LLVKDONJSA-N 0 3 298.343 -2.233 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cn2cccn2)CCOCC1 ZINC001440570212 891373154 /nfs/dbraw/zinc/37/31/54/891373154.db2.gz YQTHGOZOZQJYPK-UHFFFAOYSA-N 0 3 295.343 -1.377 20 0 CAADHN CO[C@@H](C)C(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001440566860 891375885 /nfs/dbraw/zinc/37/58/85/891375885.db2.gz UPSIYFMSRCWMHY-VIFPVBQESA-N 0 3 273.333 -1.238 20 0 CAADHN C[C@H]1C[C@@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)CO1 ZINC001440625113 891376328 /nfs/dbraw/zinc/37/63/28/891376328.db2.gz XGSPTBMFWNCKBF-WDEREUQCSA-N 0 3 299.371 -1.160 20 0 CAADHN CO[C@H](C(=O)N1CCC(O)(CNCC(N)=O)CC1)C1CC1 ZINC001440629919 891376899 /nfs/dbraw/zinc/37/68/99/891376899.db2.gz DCRSZNXEAQOJLT-LBPRGKRZSA-N 0 3 299.371 -1.160 20 0 CAADHN COCC1(C(=O)N2CCC(O)(CNCC(N)=O)CC2)CC1 ZINC001440628046 891376958 /nfs/dbraw/zinc/37/69/58/891376958.db2.gz QOLKQYPIFRYWGI-UHFFFAOYSA-N 0 3 299.371 -1.159 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)c2cnco2)CC1 ZINC001440627373 891377376 /nfs/dbraw/zinc/37/73/76/891377376.db2.gz NRTAWGJRFHOHIS-UHFFFAOYSA-N 0 3 296.327 -1.023 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C ZINC001440590165 891377555 /nfs/dbraw/zinc/37/75/55/891377555.db2.gz MUTBZGBRJFRIJD-BDAKNGLRSA-N 0 3 291.373 -1.787 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1C ZINC001440590166 891378403 /nfs/dbraw/zinc/37/84/03/891378403.db2.gz MUTBZGBRJFRIJD-DTWKUNHWSA-N 0 3 291.373 -1.787 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)CC2(O)CCC2)CC1 ZINC001440631781 891378612 /nfs/dbraw/zinc/37/86/12/891378612.db2.gz PIWWOXGEQIQJRT-UHFFFAOYSA-N 0 3 299.371 -1.280 20 0 CAADHN C[C@@H]1C[C@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)CO1 ZINC001440625105 891379104 /nfs/dbraw/zinc/37/91/04/891379104.db2.gz XGSPTBMFWNCKBF-MNOVXSKESA-N 0 3 299.371 -1.160 20 0 CAADHN C[C@@H]1C[C@@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)CO1 ZINC001440625101 891379506 /nfs/dbraw/zinc/37/95/06/891379506.db2.gz XGSPTBMFWNCKBF-GHMZBOCLSA-N 0 3 299.371 -1.160 20 0 CAADHN CN1C[C@@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)NC1=O ZINC001440710264 891380182 /nfs/dbraw/zinc/38/01/82/891380182.db2.gz LFEKBYFHZFOWJH-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN O=C(Cc1ncc[nH]1)NC1(CO)CCN(CCO)CC1 ZINC001440707797 891380694 /nfs/dbraw/zinc/38/06/94/891380694.db2.gz SXSMGJVRXYVYPV-UHFFFAOYSA-N 0 3 282.344 -1.112 20 0 CAADHN C[C@@H](NC[C@@H]1CCCCN1C(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001440716434 891380469 /nfs/dbraw/zinc/38/04/69/891380469.db2.gz ISXOUGYQVJRHGV-UTLUCORTSA-N 0 3 299.375 -1.112 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC1CC1 ZINC001440783359 891380801 /nfs/dbraw/zinc/38/08/01/891380801.db2.gz HFXCUFOVUZCOMS-DTWKUNHWSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001440801397 891380826 /nfs/dbraw/zinc/38/08/26/891380826.db2.gz GIVWRFGPOMWYFX-ZJUUUORDSA-N 0 3 299.375 -2.272 20 0 CAADHN CCNC(=O)CCC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001440779883 891380994 /nfs/dbraw/zinc/38/09/94/891380994.db2.gz RBSRUOXJIAZVAF-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001440804719 891381513 /nfs/dbraw/zinc/38/15/13/891381513.db2.gz VWEKADTWFKZTHB-DTWKUNHWSA-N 0 3 298.347 -2.189 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1ccnn1C ZINC001440766889 891381729 /nfs/dbraw/zinc/38/17/29/891381729.db2.gz AIKRQULIFLFHSB-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001440777217 891381773 /nfs/dbraw/zinc/38/17/73/891381773.db2.gz HEOZLLFYXVTXBA-NXEZZACHSA-N 0 3 297.363 -1.320 20 0 CAADHN Cc1nc(CN[C@@H](C)[C@@H](C)NC(=O)Cn2cnnn2)n[nH]1 ZINC001440780836 891381855 /nfs/dbraw/zinc/38/18/55/891381855.db2.gz JXOLXBFQKRWZGT-JGVFFNPUSA-N 0 3 293.335 -1.217 20 0 CAADHN CN1C[C@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)NC1=O ZINC001440710685 891381923 /nfs/dbraw/zinc/38/19/23/891381923.db2.gz LFEKBYFHZFOWJH-VHSXEESVSA-N 0 3 297.359 -1.534 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1ccon1 ZINC001440775310 891383277 /nfs/dbraw/zinc/38/32/77/891383277.db2.gz DRHQHFKUZVBBIL-BQBZGAKWSA-N 0 3 283.288 -1.034 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001440777221 891383504 /nfs/dbraw/zinc/38/35/04/891383504.db2.gz HEOZLLFYXVTXBA-VHSXEESVSA-N 0 3 297.363 -1.320 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cocn1 ZINC001440780006 891383784 /nfs/dbraw/zinc/38/37/84/891383784.db2.gz RIODXXRCNZXJQE-RQJHMYQMSA-N 0 3 283.288 -1.034 20 0 CAADHN CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001440838018 891386096 /nfs/dbraw/zinc/38/60/96/891386096.db2.gz JZAUTHHRPYDDAR-IUCAKERBSA-N 0 3 282.348 -1.034 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001440824701 891386216 /nfs/dbraw/zinc/38/62/16/891386216.db2.gz YTVBMSSLAFNKAF-DTWKUNHWSA-N 0 3 297.363 -1.215 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001440806064 891386986 /nfs/dbraw/zinc/38/69/86/891386986.db2.gz RCWCHTCBFQNGKM-HTQZYQBOSA-N 0 3 291.315 -1.294 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCNC(N)=O ZINC001440860671 891388198 /nfs/dbraw/zinc/38/81/98/891388198.db2.gz LMHJGXBGZLTFHS-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCNC(N)=O ZINC001440860668 891388224 /nfs/dbraw/zinc/38/82/24/891388224.db2.gz LMHJGXBGZLTFHS-HTQZYQBOSA-N 0 3 273.337 -1.726 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001440902668 891388277 /nfs/dbraw/zinc/38/82/77/891388277.db2.gz SNQCGNZDAHUSJV-UWVGGRQHSA-N 0 3 286.336 -1.883 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)Cc1cnoc1 ZINC001440824794 891388435 /nfs/dbraw/zinc/38/84/35/891388435.db2.gz ZDTHWZVXKRVAMN-YUMQZZPRSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)Cc1cnoc1 ZINC001440824740 891388542 /nfs/dbraw/zinc/38/85/42/891388542.db2.gz ZDTHWZVXKRVAMN-HTQZYQBOSA-N 0 3 297.315 -1.105 20 0 CAADHN CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001440838023 891388660 /nfs/dbraw/zinc/38/86/60/891388660.db2.gz JZAUTHHRPYDDAR-RKDXNWHRSA-N 0 3 282.348 -1.034 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001440859834 891388863 /nfs/dbraw/zinc/38/88/63/891388863.db2.gz ORGSEFJHZHLSQF-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)N(C)CCO ZINC001440950414 891390879 /nfs/dbraw/zinc/39/08/79/891390879.db2.gz DWGGXLGAUHRRNI-JTQLQIEISA-N 0 3 272.349 -2.153 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001440955677 891391551 /nfs/dbraw/zinc/39/15/51/891391551.db2.gz BWWNPTQBWVTIGL-VHSXEESVSA-N 0 3 298.343 -1.173 20 0 CAADHN Cc1nc(CC(=O)NC[C@H](C)N(C)[C@H]2CCNC2=O)n[nH]1 ZINC001440917255 891392377 /nfs/dbraw/zinc/39/23/77/891392377.db2.gz KKCFNVPPCTWMPY-WPRPVWTQSA-N 0 3 294.359 -1.019 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N(C)CCO ZINC001440976527 891393565 /nfs/dbraw/zinc/39/35/65/891393565.db2.gz XRHOPEGINKHODN-KXUCPTDWSA-N 0 3 273.333 -1.552 20 0 CAADHN O=C(Cn1ncnn1)NCCN1CCN(CC2CC2)CC1 ZINC001441052789 891400626 /nfs/dbraw/zinc/40/06/26/891400626.db2.gz BFDJPHXSYNIUOJ-UHFFFAOYSA-N 0 3 293.375 -1.183 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001441171594 891403124 /nfs/dbraw/zinc/40/31/24/891403124.db2.gz NRRFRLNWKNBPNE-JTQLQIEISA-N 0 3 295.347 -1.706 20 0 CAADHN NC(=O)c1ncn(CC(=O)NC[C@@H](NCCF)C2CC2)n1 ZINC001441188010 891403391 /nfs/dbraw/zinc/40/33/91/891403391.db2.gz AMYWPIVRGSUKGT-SECBINFHSA-N 0 3 298.322 -1.169 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001441196922 891404167 /nfs/dbraw/zinc/40/41/67/891404167.db2.gz PGWFPHQUYHGPIV-PSASIEDQSA-N 0 3 295.347 -1.708 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1nccnc1N)C1CC1 ZINC001441193335 891405283 /nfs/dbraw/zinc/40/52/83/891405283.db2.gz VAYPPUNEGFKTCP-SECBINFHSA-N 0 3 292.343 -1.097 20 0 CAADHN C[C@H](C(=O)NC[C@@H](NCC(N)=O)C1CC1)n1cncn1 ZINC001441180699 891405399 /nfs/dbraw/zinc/40/53/99/891405399.db2.gz RVWVXWRNMVZDHD-PSASIEDQSA-N 0 3 280.332 -1.191 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1nccnc1N)C1CC1 ZINC001441193339 891405460 /nfs/dbraw/zinc/40/54/60/891405460.db2.gz VAYPPUNEGFKTCP-VIFPVBQESA-N 0 3 292.343 -1.097 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H](C)CC(N)=O)C1CC1 ZINC001441223194 891406408 /nfs/dbraw/zinc/40/64/08/891406408.db2.gz HRTRDUOUMPYSKR-PSASIEDQSA-N 0 3 284.360 -1.272 20 0 CAADHN O=C(Cn1cncn1)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001441269498 891406474 /nfs/dbraw/zinc/40/64/74/891406474.db2.gz LADLLONVFSGHSD-GHMZBOCLSA-N 0 3 292.343 -1.349 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001441318164 891406573 /nfs/dbraw/zinc/40/65/73/891406573.db2.gz PDCHMUCNXDJZPY-MWLCHTKSSA-N 0 3 295.343 -1.025 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](N[C@H]2CCNC2=O)C2CC2)n1 ZINC001441211335 891407089 /nfs/dbraw/zinc/40/70/89/891407089.db2.gz MPKGZQQGFVRKKX-VHSXEESVSA-N 0 3 292.343 -1.198 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)CCNC(N)=O)C1CC1 ZINC001441265377 891407460 /nfs/dbraw/zinc/40/74/60/891407460.db2.gz DGNSRUMFHSDKDQ-SNVBAGLBSA-N 0 3 299.375 -1.383 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)COC)CCO1 ZINC001441306325 891407475 /nfs/dbraw/zinc/40/74/75/891407475.db2.gz APSOHIYSVWCFKC-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](NCC(N)=O)C2CC2)CCC(=O)N1 ZINC001441228457 891407628 /nfs/dbraw/zinc/40/76/28/891407628.db2.gz MQNBFISZMPJIDA-ZANVPECISA-N 0 3 282.344 -1.375 20 0 CAADHN O=C(Cn1cncn1)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001441269501 891407654 /nfs/dbraw/zinc/40/76/54/891407654.db2.gz LADLLONVFSGHSD-MNOVXSKESA-N 0 3 292.343 -1.349 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001441318141 891407856 /nfs/dbraw/zinc/40/78/56/891407856.db2.gz PDCHMUCNXDJZPY-GXSJLCMTSA-N 0 3 295.343 -1.025 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001441336801 891407884 /nfs/dbraw/zinc/40/78/84/891407884.db2.gz COTNQLFUZBOLBQ-LPEHRKFASA-N 0 3 282.344 -1.410 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC[C@H](NCCF)C1CC1 ZINC001441237276 891407916 /nfs/dbraw/zinc/40/79/16/891407916.db2.gz ZLHDWVKGUBNYKM-NSHDSACASA-N 0 3 286.351 -1.128 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001441318167 891407950 /nfs/dbraw/zinc/40/79/50/891407950.db2.gz PDCHMUCNXDJZPY-ONGXEEELSA-N 0 3 295.343 -1.025 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1)C(N)=O ZINC001441247061 891408155 /nfs/dbraw/zinc/40/81/55/891408155.db2.gz MBDYLVIDHFHSEJ-VXNVDRBHSA-N 0 3 293.327 -1.258 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001441333850 891408192 /nfs/dbraw/zinc/40/81/92/891408192.db2.gz CKTYNUAITIDOSN-VIFPVBQESA-N 0 3 280.332 -1.293 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001441356991 891409779 /nfs/dbraw/zinc/40/97/79/891409779.db2.gz YONSSZKINNPIJL-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCc2nnc[n-]2)C1)C(N)=O ZINC001441385377 891409812 /nfs/dbraw/zinc/40/98/12/891409812.db2.gz HXGXTEJYUABSBS-IWSPIJDZSA-N 0 3 280.332 -1.152 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001441356986 891410641 /nfs/dbraw/zinc/41/06/41/891410641.db2.gz YONSSZKINNPIJL-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CS(=O)(=O)CCC(=O)N[C@H]1C[C@H](NCC(N)=O)C1 ZINC001441399881 891411407 /nfs/dbraw/zinc/41/14/07/891411407.db2.gz PHNAVNDRLLUOQU-ZKCHVHJHSA-N 0 3 277.346 -1.857 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCOC1)NCC(=O)NC(N)=O ZINC001441493133 891412813 /nfs/dbraw/zinc/41/28/13/891412813.db2.gz ZPQZFYZQOWRJKF-RKDXNWHRSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCCC1=O)NCC(N)=O ZINC001441488022 891413235 /nfs/dbraw/zinc/41/32/35/891413235.db2.gz KXXYTVKCTXEXRU-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCOC1)NCC(=O)NC(N)=O ZINC001441493123 891413666 /nfs/dbraw/zinc/41/36/66/891413666.db2.gz ZPQZFYZQOWRJKF-DTWKUNHWSA-N 0 3 286.332 -1.346 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1COCCO1 ZINC001441441939 891413902 /nfs/dbraw/zinc/41/39/02/891413902.db2.gz RQBXCDFNIQNRLK-VXGBXAGGSA-N 0 3 299.371 -1.026 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001441485735 891414295 /nfs/dbraw/zinc/41/42/95/891414295.db2.gz IQOXHYSIYJKASE-IUCAKERBSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@H](NCC(N)=O)C1 ZINC001441427718 891414524 /nfs/dbraw/zinc/41/45/24/891414524.db2.gz DRVUGIUNOWJMQV-CIUDSAMLSA-N 0 3 291.373 -1.611 20 0 CAADHN CN(C(=O)c1nccnc1N)[C@H](CNCC(N)=O)C1CC1 ZINC001441428220 891414658 /nfs/dbraw/zinc/41/46/58/891414658.db2.gz AYOBHPUAXOEXBP-SECBINFHSA-N 0 3 292.343 -1.016 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCOC1)NCC(=O)NC(N)=O ZINC001441493127 891414685 /nfs/dbraw/zinc/41/46/85/891414685.db2.gz ZPQZFYZQOWRJKF-IUCAKERBSA-N 0 3 286.332 -1.346 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CN1CCCNC1=O ZINC001441543925 891415807 /nfs/dbraw/zinc/41/58/07/891415807.db2.gz GGTOGYURQSOKQQ-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H]1CCCNC1=O ZINC001441520855 891415896 /nfs/dbraw/zinc/41/58/96/891415896.db2.gz JYIXOARYISKREQ-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NCC(N)=O ZINC001441532297 891416274 /nfs/dbraw/zinc/41/62/74/891416274.db2.gz FLMSUXOHBINBNU-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)N[C@@H](C)C(N)=O ZINC001441520084 891416554 /nfs/dbraw/zinc/41/65/54/891416554.db2.gz BAMDAJRSSPCUJF-SFYZADRCSA-N 0 3 291.373 -1.659 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001441517927 891416718 /nfs/dbraw/zinc/41/67/18/891416718.db2.gz PHIKIXMRJSYITQ-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1cnn(C)c1N ZINC001441504903 891417029 /nfs/dbraw/zinc/41/70/29/891417029.db2.gz ALTUKSALHHMKJD-MRVPVSSYSA-N 0 3 282.348 -1.202 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)c1cnn(C)c1N)C(N)=O ZINC001441522631 891417152 /nfs/dbraw/zinc/41/71/52/891417152.db2.gz WLKRIRJINLPMNK-JGVFFNPUSA-N 0 3 282.348 -1.074 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCOCC1)NCC(N)=O ZINC001441509482 891417173 /nfs/dbraw/zinc/41/71/73/891417173.db2.gz HTVHCCKNXRUART-JTQLQIEISA-N 0 3 272.349 -1.760 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001441565278 891417404 /nfs/dbraw/zinc/41/74/04/891417404.db2.gz CJDHIQDDMGBORJ-YUMQZZPRSA-N 0 3 283.336 -1.605 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)NCC(=O)NC1CC1 ZINC001441523181 891417772 /nfs/dbraw/zinc/41/77/72/891417772.db2.gz MULFWQQSBXAVLH-VIFPVBQESA-N 0 3 299.375 -1.370 20 0 CAADHN CCN1C[C@@H](C(=O)N(C)C[C@H](C)NCC(N)=O)CC1=O ZINC001441519261 891417785 /nfs/dbraw/zinc/41/77/85/891417785.db2.gz HRDPCUPGQCFARP-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001441594284 891419046 /nfs/dbraw/zinc/41/90/46/891419046.db2.gz JARYCQOSIPTSJL-AEJSXWLSSA-N 0 3 284.360 -1.320 20 0 CAADHN Cc1nc(CN[C@H](C)CN(C)C(=O)[C@@H]2CNC(=O)N2)n[nH]1 ZINC001441590153 891419107 /nfs/dbraw/zinc/41/91/07/891419107.db2.gz JTYMUJPUNYXNHR-APPZFPTMSA-N 0 3 295.347 -1.269 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001441655082 891419473 /nfs/dbraw/zinc/41/94/73/891419473.db2.gz LCCJXQLLNUHKQH-IUCAKERBSA-N 0 3 283.332 -1.876 20 0 CAADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)NCC(=O)NC1CC1 ZINC001441651139 891419729 /nfs/dbraw/zinc/41/97/29/891419729.db2.gz WVQXILPHUDRGDW-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)NCC(=O)N1CCC1 ZINC001441603881 891420094 /nfs/dbraw/zinc/42/00/94/891420094.db2.gz YNENDBBELASZDV-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)NCC(=O)N(C)C ZINC001441600311 891420655 /nfs/dbraw/zinc/42/06/55/891420655.db2.gz XLJAGFUNFKNGTH-UWVGGRQHSA-N 0 3 299.375 -1.465 20 0 CAADHN Cc1nc(CN[C@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)n[nH]1 ZINC001441590158 891420887 /nfs/dbraw/zinc/42/08/87/891420887.db2.gz JTYMUJPUNYXNHR-VXNVDRBHSA-N 0 3 295.347 -1.269 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001441594286 891420938 /nfs/dbraw/zinc/42/09/38/891420938.db2.gz JARYCQOSIPTSJL-BBBLOLIVSA-N 0 3 284.360 -1.320 20 0 CAADHN COCCC(=O)NC[C@H](CO)NCc1ccn(C)c(=O)c1 ZINC001441654588 891421075 /nfs/dbraw/zinc/42/10/75/891421075.db2.gz LCBFFDAUAUVMLG-GFCCVEGCSA-N 0 3 297.355 -1.012 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)NCCF ZINC001441594919 891421218 /nfs/dbraw/zinc/42/12/18/891421218.db2.gz DFMLYUDPWRYHSU-SFYZADRCSA-N 0 3 274.296 -1.010 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001441647241 891421360 /nfs/dbraw/zinc/42/13/60/891421360.db2.gz QZZJXLWFCZKCCD-DTWKUNHWSA-N 0 3 295.343 -1.296 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)NCC(=O)N(C)C ZINC001441600321 891421425 /nfs/dbraw/zinc/42/14/25/891421425.db2.gz XLJAGFUNFKNGTH-ZJUUUORDSA-N 0 3 299.375 -1.465 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NCC(=O)NC(N)=O ZINC001441617473 891421510 /nfs/dbraw/zinc/42/15/10/891421510.db2.gz CWAPYAWKTNBPNN-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CCn1cnnn1 ZINC001441619006 891421575 /nfs/dbraw/zinc/42/15/75/891421575.db2.gz LUYKDIQJJRLYMS-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN CC(=O)NC[C@H](CO)NC[C@@H]1CCCS(=O)(=O)C1 ZINC001441657438 891423682 /nfs/dbraw/zinc/42/36/82/891423682.db2.gz QNRSBJQOLMBTCP-WDEREUQCSA-N 0 3 278.374 -1.102 20 0 CAADHN CS(=O)(=O)CCN[C@@H](CO)CNC(=O)c1cn[nH]n1 ZINC001441708675 891436340 /nfs/dbraw/zinc/43/63/40/891436340.db2.gz GADPPZSKEPKPMC-SSDOTTSWSA-N 0 3 291.333 -2.470 20 0 CAADHN CS(=O)(=O)CCN[C@H](CO)CNC(=O)c1cn[nH]n1 ZINC001441708692 891437901 /nfs/dbraw/zinc/43/79/01/891437901.db2.gz GADPPZSKEPKPMC-ZETCQYMHSA-N 0 3 291.333 -2.470 20 0 CAADHN O=C(NC[C@@H](CO)NCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001441724615 891439965 /nfs/dbraw/zinc/43/99/65/891439965.db2.gz UFECCCFPHSDYFX-BDAKNGLRSA-N 0 3 280.346 -2.520 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)Cn1cncc1C ZINC001441720035 891440523 /nfs/dbraw/zinc/44/05/23/891440523.db2.gz LTZRAHQCRGCSQY-JTQLQIEISA-N 0 3 283.332 -1.996 20 0 CAADHN O=C(CCN1CCOCC1)NC[C@@H](CO)NCCF ZINC001441755320 891444115 /nfs/dbraw/zinc/44/41/15/891444115.db2.gz PRCCRABPNIRNQE-NSHDSACASA-N 0 3 277.340 -1.255 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001441754208 891444130 /nfs/dbraw/zinc/44/41/30/891444130.db2.gz HWYKMYGCENUUQA-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@H](CO)NCCn1cncn1 ZINC001441745438 891444718 /nfs/dbraw/zinc/44/47/18/891444718.db2.gz CTPAPZILWWTFSO-LLVKDONJSA-N 0 3 293.331 -1.689 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001441745992 891444864 /nfs/dbraw/zinc/44/48/64/891444864.db2.gz ABLXFNQAJUVTGX-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC001441746223 891445054 /nfs/dbraw/zinc/44/50/54/891445054.db2.gz CUYRJUXSQJYKJP-MNOVXSKESA-N 0 3 286.376 -1.859 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001441746224 891445304 /nfs/dbraw/zinc/44/53/04/891445304.db2.gz CUYRJUXSQJYKJP-QWRGUYRKSA-N 0 3 286.376 -1.859 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](C)N[C@H]1CCCNC1=O ZINC001441757160 891446555 /nfs/dbraw/zinc/44/65/55/891446555.db2.gz CWIINMKGSUIRBY-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCCN(C)C1=O ZINC001441761477 891447409 /nfs/dbraw/zinc/44/74/09/891447409.db2.gz QJXFHJMBTQFTSV-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)NCCS(C)(=O)=O ZINC001441766962 891448621 /nfs/dbraw/zinc/44/86/21/891448621.db2.gz JJRRHFKVRHVMDM-QMMMGPOBSA-N 0 3 295.361 -1.519 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NCc1nnn(C)n1)N(C)C ZINC001441756355 891448800 /nfs/dbraw/zinc/44/88/00/891448800.db2.gz SXSKKYRLTTZKNJ-UWVGGRQHSA-N 0 3 299.379 -1.883 20 0 CAADHN O=C(NC[C@H](CO)NCCO)C1CCS(=O)(=O)CC1 ZINC001441759210 891448765 /nfs/dbraw/zinc/44/87/65/891448765.db2.gz MGNBYXLPAQKCJH-SNVBAGLBSA-N 0 3 294.373 -2.130 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCOC1)NCC(=O)NC(N)=O ZINC001441786554 891450129 /nfs/dbraw/zinc/45/01/29/891450129.db2.gz UEIOIDPENQSYDS-DTWKUNHWSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(C)OCC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001441785968 891450288 /nfs/dbraw/zinc/45/02/88/891450288.db2.gz HIEBULUUBRTEEQ-MRVPVSSYSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCOC1)NCC(=O)N1CCOCC1 ZINC001441786542 891450304 /nfs/dbraw/zinc/45/03/04/891450304.db2.gz UDMDUSMIIXPBRO-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN CC(C)OCC(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001441786003 891450889 /nfs/dbraw/zinc/45/08/89/891450889.db2.gz HIEBULUUBRTEEQ-QMMMGPOBSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@@H](CNC(=O)C1=CCOCC1)NCC(=O)NC(N)=O ZINC001441790129 891451056 /nfs/dbraw/zinc/45/10/56/891451056.db2.gz DJURTUDRLJLLQL-QMMMGPOBSA-N 0 3 284.316 -1.378 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCOC1)NCC(=O)NC(N)=O ZINC001441786556 891451451 /nfs/dbraw/zinc/45/14/51/891451451.db2.gz UEIOIDPENQSYDS-IUCAKERBSA-N 0 3 286.332 -1.298 20 0 CAADHN Cc1cc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)n(C)n1 ZINC001441789049 891451812 /nfs/dbraw/zinc/45/18/12/891451812.db2.gz KFWHHSIRMGAUBE-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001441782476 891452137 /nfs/dbraw/zinc/45/21/37/891452137.db2.gz CRKXQKFTKOTXKI-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001441795639 891453534 /nfs/dbraw/zinc/45/35/34/891453534.db2.gz XDRVWQXXLKRQLN-SECBINFHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CNC(=O)CCn1cncn1)NCC(=O)N1CCC1 ZINC001441795601 891453651 /nfs/dbraw/zinc/45/36/51/891453651.db2.gz YTWAFJQGIRRIMP-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1)N[C@@H]1CCN(C)C1=O ZINC001441797146 891453843 /nfs/dbraw/zinc/45/38/43/891453843.db2.gz JATOGEJAXNYLQI-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1)N[C@@H]1CCN(C)C1=O ZINC001441797126 891454041 /nfs/dbraw/zinc/45/40/41/891454041.db2.gz JATOGEJAXNYLQI-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC001441798996 891454124 /nfs/dbraw/zinc/45/41/24/891454124.db2.gz AFSSOEUPKIVCBD-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CNC(=O)c1cocn1)N[C@@H](C)C(=O)NC(N)=O ZINC001441796752 891454581 /nfs/dbraw/zinc/45/45/81/891454581.db2.gz YAEHUBGSSLNFAX-BQBZGAKWSA-N 0 3 283.288 -1.034 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)NCC(=O)N(C)C ZINC001441797877 891454727 /nfs/dbraw/zinc/45/47/27/891454727.db2.gz YQNOKVMODVFCNS-QWRGUYRKSA-N 0 3 286.376 -1.501 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1C ZINC001441799002 891454935 /nfs/dbraw/zinc/45/49/35/891454935.db2.gz AFSSOEUPKIVCBD-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@H]1C ZINC001441799168 891455153 /nfs/dbraw/zinc/45/51/53/891455153.db2.gz BCBOTWBFPDYDQU-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001441795643 891455220 /nfs/dbraw/zinc/45/52/20/891455220.db2.gz XDRVWQXXLKRQLN-VIFPVBQESA-N 0 3 284.360 -1.115 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001441803256 891455249 /nfs/dbraw/zinc/45/52/49/891455249.db2.gz KBZNGJXHEGKOPA-BDAKNGLRSA-N 0 3 287.364 -1.338 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CN(C)CCO1)NCC(=O)N(C)C ZINC001441797851 891455730 /nfs/dbraw/zinc/45/57/30/891455730.db2.gz YQNOKVMODVFCNS-GHMZBOCLSA-N 0 3 286.376 -1.501 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001441802387 891455982 /nfs/dbraw/zinc/45/59/82/891455982.db2.gz QZEKJZHZNGAKIF-SECBINFHSA-N 0 3 295.303 -1.650 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CNC(C)=O)C1 ZINC001441826009 891457245 /nfs/dbraw/zinc/45/72/45/891457245.db2.gz TYPAAQSMZNPHPG-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN COCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C[C@@H]1C ZINC001441813056 891457267 /nfs/dbraw/zinc/45/72/67/891457267.db2.gz FLFYQOANCVXJEP-JGVFFNPUSA-N 0 3 272.305 -1.593 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CCNC(=O)NC)C(N)=O ZINC001441812899 891457302 /nfs/dbraw/zinc/45/73/02/891457302.db2.gz PFCDEVHQFIZGMI-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN COCCn1cc(C(=O)NC[C@@H](C)N[C@@H](C)C(N)=O)nn1 ZINC001441838336 891457415 /nfs/dbraw/zinc/45/74/15/891457415.db2.gz AEWNPLVEJGSHGC-BDAKNGLRSA-N 0 3 298.347 -1.494 20 0 CAADHN C[C@@H](CNC(=O)CCNS(C)(=O)=O)NCC(N)=O ZINC001441853901 891457438 /nfs/dbraw/zinc/45/74/38/891457438.db2.gz DNDLHTKDXHBMCB-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)N1CCCC1)NCC(N)=O ZINC001441841008 891457582 /nfs/dbraw/zinc/45/75/82/891457582.db2.gz DECFLZRWGHKVNY-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N[C@@H](C)C(=O)N(C)C ZINC001441811221 891457818 /nfs/dbraw/zinc/45/78/18/891457818.db2.gz KHDBKUSODGDWNI-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)N[C@@H]1CCN(C)C1=O ZINC001441830996 891457855 /nfs/dbraw/zinc/45/78/55/891457855.db2.gz UOMZOHOTFXRGFT-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001441843325 891458008 /nfs/dbraw/zinc/45/80/08/891458008.db2.gz VKXOMDRYEUYESE-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N[C@H]1CCN(C)C1=O ZINC001441830994 891458124 /nfs/dbraw/zinc/45/81/24/891458124.db2.gz UOMZOHOTFXRGFT-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN Cc1ccnc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)n1 ZINC001441815586 891458327 /nfs/dbraw/zinc/45/83/27/891458327.db2.gz GRKUGZWOVRFHEL-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@H](CNC(=O)CCS(C)(=O)=O)N[C@@H]1CCNC1=O ZINC001441849150 891458744 /nfs/dbraw/zinc/45/87/44/891458744.db2.gz BHZIMLXNCUYPIF-RKDXNWHRSA-N 0 3 291.373 -1.596 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001441834498 891458894 /nfs/dbraw/zinc/45/88/94/891458894.db2.gz RQTNVIUBBSJEHP-DTWKUNHWSA-N 0 3 291.373 -1.644 20 0 CAADHN COCCn1cc(C(=O)NC[C@H](C)N[C@@H](C)C(N)=O)nn1 ZINC001441838399 891458950 /nfs/dbraw/zinc/45/89/50/891458950.db2.gz AEWNPLVEJGSHGC-IUCAKERBSA-N 0 3 298.347 -1.494 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CNC(C)=O)C1 ZINC001441826007 891458961 /nfs/dbraw/zinc/45/89/61/891458961.db2.gz TYPAAQSMZNPHPG-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)NCC(=O)N(C)C ZINC001441846282 891459036 /nfs/dbraw/zinc/45/90/36/891459036.db2.gz SADVAROGJWESNT-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001441839414 891459239 /nfs/dbraw/zinc/45/92/39/891459239.db2.gz DVZFTOCFGSZKPP-SFYZADRCSA-N 0 3 271.321 -2.020 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001441839412 891459288 /nfs/dbraw/zinc/45/92/88/891459288.db2.gz DVZFTOCFGSZKPP-JGVFFNPUSA-N 0 3 271.321 -2.020 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001441827200 891459305 /nfs/dbraw/zinc/45/93/05/891459305.db2.gz SBCDZLFTKODSSX-JGVFFNPUSA-N 0 3 272.305 -1.675 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(=O)N2CCC2)C[C@@H]1C ZINC001441826158 891459456 /nfs/dbraw/zinc/45/94/56/891459456.db2.gz UXLCGVXPJUHVDQ-CMPLNLGQSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(=O)N2CCC2)C[C@H]1C ZINC001441826166 891459569 /nfs/dbraw/zinc/45/95/69/891459569.db2.gz UXLCGVXPJUHVDQ-ZYHUDNBSSA-N 0 3 296.371 -1.066 20 0 CAADHN COCCn1ccc(C(=O)NC[C@@H](C)NCC(N)=O)n1 ZINC001441901319 891461169 /nfs/dbraw/zinc/46/11/69/891461169.db2.gz CXRQANCJJJURRJ-SECBINFHSA-N 0 3 283.332 -1.277 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)NCCF ZINC001441872090 891461236 /nfs/dbraw/zinc/46/12/36/891461236.db2.gz UVMIUWMUCPIHEO-VIFPVBQESA-N 0 3 286.307 -1.389 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN1CCN(C)C(=O)C1 ZINC001441872900 891461316 /nfs/dbraw/zinc/46/13/16/891461316.db2.gz KYJPMICMSAEESO-SNVBAGLBSA-N 0 3 299.375 -2.399 20 0 CAADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N[C@H]1CCNC1=O ZINC001441874736 891461551 /nfs/dbraw/zinc/46/15/51/891461551.db2.gz XPIPNFHVGJZVHW-BDAKNGLRSA-N 0 3 293.327 -1.623 20 0 CAADHN COCC1(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)CC1 ZINC001441901499 891461573 /nfs/dbraw/zinc/46/15/73/891461573.db2.gz DTLPWOYNFHSUET-MRVPVSSYSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)CCNC(N)=O ZINC001441888643 891461629 /nfs/dbraw/zinc/46/16/29/891461629.db2.gz ZYIJZHSLRLYJFC-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CNC(=O)c1cnc[n-]c1=O)[NH2+][C@H]1CCNC1=O ZINC001441863609 891461670 /nfs/dbraw/zinc/46/16/70/891461670.db2.gz NEPIHDBUWDUFNV-APPZFPTMSA-N 0 3 279.300 -1.221 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CN1CCCNC1=O)C(N)=O ZINC001441865051 891462626 /nfs/dbraw/zinc/46/26/26/891462626.db2.gz DGMJDKCTCHYYFN-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CO[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)c1cnn(C)c1 ZINC001441912823 891462757 /nfs/dbraw/zinc/46/27/57/891462757.db2.gz IVZAZPAISSBQEE-LDYMZIIASA-N 0 3 283.332 -1.313 20 0 CAADHN Cc1nn(C)c(=O)c(C(=O)NC[C@H](C)NCC(N)=O)c1C ZINC001441912513 891462960 /nfs/dbraw/zinc/46/29/60/891462960.db2.gz IRVFAEWJKXWMNN-ZETCQYMHSA-N 0 3 295.343 -1.410 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@H](C)NCC(N)=O ZINC001441874370 891462989 /nfs/dbraw/zinc/46/29/89/891462989.db2.gz SCESSXUFAFCZNR-QMMMGPOBSA-N 0 3 274.321 -2.329 20 0 CAADHN C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)NCCF ZINC001441872084 891463044 /nfs/dbraw/zinc/46/30/44/891463044.db2.gz UVMIUWMUCPIHEO-SECBINFHSA-N 0 3 286.307 -1.389 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cn1cnnn1)C(N)=O ZINC001441950192 891464424 /nfs/dbraw/zinc/46/44/24/891464424.db2.gz HWNQNTCBKWIZTI-JGVFFNPUSA-N 0 3 285.308 -3.044 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001441937533 891464560 /nfs/dbraw/zinc/46/45/60/891464560.db2.gz XALFTQHFQGYUKC-VIFPVBQESA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cn1cnnn1)C(N)=O ZINC001441950189 891464857 /nfs/dbraw/zinc/46/48/57/891464857.db2.gz HWNQNTCBKWIZTI-HTQZYQBOSA-N 0 3 285.308 -3.044 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C1CCOCC1 ZINC001441941143 891464938 /nfs/dbraw/zinc/46/49/38/891464938.db2.gz DUWQXQRDJPTQNN-JTQLQIEISA-N 0 3 273.333 -1.693 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1c[nH]c(=O)n1C ZINC001441918749 891465230 /nfs/dbraw/zinc/46/52/30/891465230.db2.gz LRMIGONEEFEDIN-JGVFFNPUSA-N 0 3 283.332 -1.032 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)NCC(=O)N(C)C1CC1 ZINC001441914884 891465538 /nfs/dbraw/zinc/46/55/38/891465538.db2.gz MSQNTMCOTDXZOY-MRVPVSSYSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccc2nnnn2c1 ZINC001441918709 891465700 /nfs/dbraw/zinc/46/57/00/891465700.db2.gz ZIXZKAGKUKWFLH-QMMMGPOBSA-N 0 3 291.315 -1.422 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001441948712 891465836 /nfs/dbraw/zinc/46/58/36/891465836.db2.gz GHBXEBPOYIDTIG-ONGXEEELSA-N 0 3 297.359 -1.423 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)C(F)F ZINC001441944096 891465867 /nfs/dbraw/zinc/46/58/67/891465867.db2.gz ITLGMEPGSCSLLS-HTQZYQBOSA-N 0 3 279.287 -1.109 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001441953858 891465921 /nfs/dbraw/zinc/46/59/21/891465921.db2.gz QPEXXNAPFMOZPO-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN COC[C@@H](OC)C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001441949186 891465966 /nfs/dbraw/zinc/46/59/66/891465966.db2.gz YLMNTFDEKMWFPQ-JGVFFNPUSA-N 0 3 290.320 -2.063 20 0 CAADHN CC(C)C(=O)N(C)C[C@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001441948353 891466000 /nfs/dbraw/zinc/46/60/00/891466000.db2.gz KNTKPGDAORAKGD-RKDXNWHRSA-N 0 3 288.348 -1.365 20 0 CAADHN CC(C)C(=O)N(C)C[C@@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001441948342 891466171 /nfs/dbraw/zinc/46/61/71/891466171.db2.gz KNTKPGDAORAKGD-BDAKNGLRSA-N 0 3 288.348 -1.365 20 0 CAADHN CC(C)C(=O)N(C)C[C@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001441948347 891466233 /nfs/dbraw/zinc/46/62/33/891466233.db2.gz KNTKPGDAORAKGD-DTWKUNHWSA-N 0 3 288.348 -1.365 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@H](C)NCCF ZINC001441917943 891466242 /nfs/dbraw/zinc/46/62/42/891466242.db2.gz JEUZEOHHKBRPAC-SSDOTTSWSA-N 0 3 270.330 -1.896 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccc2nnnn2c1 ZINC001441918704 891466250 /nfs/dbraw/zinc/46/62/50/891466250.db2.gz ZIXZKAGKUKWFLH-MRVPVSSYSA-N 0 3 291.315 -1.422 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C1CCOCC1 ZINC001441941148 891466306 /nfs/dbraw/zinc/46/63/06/891466306.db2.gz DUWQXQRDJPTQNN-SNVBAGLBSA-N 0 3 273.333 -1.693 20 0 CAADHN COC[C@@H](OC)C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001441949182 891466392 /nfs/dbraw/zinc/46/63/92/891466392.db2.gz YLMNTFDEKMWFPQ-HTQZYQBOSA-N 0 3 290.320 -2.063 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CNCC(=O)NC[C@@H]1CCCO1 ZINC001441933243 891466427 /nfs/dbraw/zinc/46/64/27/891466427.db2.gz KRIKQFQZWXJUKN-RYUDHWBXSA-N 0 3 287.360 -1.290 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001441953863 891466567 /nfs/dbraw/zinc/46/65/67/891466567.db2.gz QPEXXNAPFMOZPO-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN CC1(C)CN(C(=O)CCNC(N)=O)C[C@@H]1NCC(N)=O ZINC001441935859 891466618 /nfs/dbraw/zinc/46/66/18/891466618.db2.gz PFQIHLAFIYLDJB-QMMMGPOBSA-N 0 3 285.348 -1.643 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cn1cnnn1)C(N)=O ZINC001441950194 891466655 /nfs/dbraw/zinc/46/66/55/891466655.db2.gz HWNQNTCBKWIZTI-SFYZADRCSA-N 0 3 285.308 -3.044 20 0 CAADHN C[C@@H](CNC(=O)c1ccnc2c1nnn2C)NCC(N)=O ZINC001441941604 891466779 /nfs/dbraw/zinc/46/67/79/891466779.db2.gz NVQYAMOHLWMTKU-ZETCQYMHSA-N 0 3 291.315 -1.444 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cccnc1)C(N)=O ZINC001441952963 891466851 /nfs/dbraw/zinc/46/68/51/891466851.db2.gz PEQWFVJGYSWHPN-MWLCHTKSSA-N 0 3 280.328 -1.022 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001441948708 891466910 /nfs/dbraw/zinc/46/69/10/891466910.db2.gz GHBXEBPOYIDTIG-KOLCDFICSA-N 0 3 297.359 -1.423 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)co1 ZINC001441969430 891468047 /nfs/dbraw/zinc/46/80/47/891468047.db2.gz JRMWCOLFAJXFMP-QMMMGPOBSA-N 0 3 270.289 -1.509 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001441973926 891468059 /nfs/dbraw/zinc/46/80/59/891468059.db2.gz OYQWHNMVCRPOIO-BDAKNGLRSA-N 0 3 297.319 -3.030 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001441957844 891468122 /nfs/dbraw/zinc/46/81/22/891468122.db2.gz FKIRLWRORCTTAO-YUMQZZPRSA-N 0 3 295.361 -2.686 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cn[nH]c1)C(=O)N(C)C ZINC001441971009 891468133 /nfs/dbraw/zinc/46/81/33/891468133.db2.gz XIYMWIZCZLCUQZ-ONGXEEELSA-N 0 3 297.359 -1.091 20 0 CAADHN C[C@H](CNC(=O)COCc1nncn1C)N[C@@H](C)C(N)=O ZINC001441977849 891468314 /nfs/dbraw/zinc/46/83/14/891468314.db2.gz IEQCOOKBCCWMRE-BDAKNGLRSA-N 0 3 298.347 -1.700 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C1=COCCC1 ZINC001441967039 891468348 /nfs/dbraw/zinc/46/83/48/891468348.db2.gz LYYXVQZJLUEAKO-RYUDHWBXSA-N 0 3 297.355 -1.022 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001441957842 891468401 /nfs/dbraw/zinc/46/84/01/891468401.db2.gz FKIRLWRORCTTAO-SFYZADRCSA-N 0 3 295.361 -2.686 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CC[C@H]1CCOC1 ZINC001441972888 891468509 /nfs/dbraw/zinc/46/85/09/891468509.db2.gz MHZWSCIIUJAVHE-QWRGUYRKSA-N 0 3 287.360 -1.303 20 0 CAADHN Cc1cnccc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001441970780 891468721 /nfs/dbraw/zinc/46/87/21/891468721.db2.gz HKTCJFFIDFZQQK-JTQLQIEISA-N 0 3 280.328 -1.102 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C)n[nH]1 ZINC001441967380 891468854 /nfs/dbraw/zinc/46/88/54/891468854.db2.gz SDKVYWGYRAPAAE-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C)[nH]n1 ZINC001441967380 891468864 /nfs/dbraw/zinc/46/88/64/891468864.db2.gz SDKVYWGYRAPAAE-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C1=COCCO1 ZINC001441954433 891468958 /nfs/dbraw/zinc/46/89/58/891468958.db2.gz MVCAGTAQPAPBDF-ZJUUUORDSA-N 0 3 299.327 -1.828 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cncn1C ZINC001441976496 891469035 /nfs/dbraw/zinc/46/90/35/891469035.db2.gz ARTXQBDDQTXRQA-NXEZZACHSA-N 0 3 295.343 -1.669 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001441968274 891469276 /nfs/dbraw/zinc/46/92/76/891469276.db2.gz CRZAAFLEXYFHID-RKDXNWHRSA-N 0 3 283.332 -1.433 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccncc1F ZINC001441964841 891469437 /nfs/dbraw/zinc/46/94/37/891469437.db2.gz ZVZSQTAWNKPCHY-MRVPVSSYSA-N 0 3 284.291 -1.272 20 0 CAADHN Cc1ncn(C)c1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001441974809 891469537 /nfs/dbraw/zinc/46/95/37/891469537.db2.gz AGZYGBBGNQDZDP-VHSXEESVSA-N 0 3 297.359 -1.375 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cc[nH]n1)C(=O)N(C)C ZINC001441965673 891469572 /nfs/dbraw/zinc/46/95/72/891469572.db2.gz QHUGFHAPRHFSBK-UWVGGRQHSA-N 0 3 297.359 -1.091 20 0 CAADHN C[C@H](CNC(=O)COCc1nncn1C)N[C@H](C)C(N)=O ZINC001441977880 891469705 /nfs/dbraw/zinc/46/97/05/891469705.db2.gz IEQCOOKBCCWMRE-RKDXNWHRSA-N 0 3 298.347 -1.700 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@H]1CCCO1 ZINC001441970015 891469792 /nfs/dbraw/zinc/46/97/92/891469792.db2.gz WNSFKVHGIBXLIG-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001441975209 891469901 /nfs/dbraw/zinc/46/99/01/891469901.db2.gz ALZIXCMSVQYJMK-IUCAKERBSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001441957840 891470052 /nfs/dbraw/zinc/47/00/52/891470052.db2.gz FKIRLWRORCTTAO-JGVFFNPUSA-N 0 3 295.361 -2.686 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)c1cn[nH]c1 ZINC001441971161 891470070 /nfs/dbraw/zinc/47/00/70/891470070.db2.gz XSULZTJPBFQXTK-LLVKDONJSA-N 0 3 295.343 -1.336 20 0 CAADHN Cc1c(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)nnn1C ZINC001441962384 891470268 /nfs/dbraw/zinc/47/02/68/891470268.db2.gz UWQLPNYUEISFPW-CBAPKCEASA-N 0 3 298.347 -1.980 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@@H]1CCCO1 ZINC001441970021 891470379 /nfs/dbraw/zinc/47/03/79/891470379.db2.gz WNSFKVHGIBXLIG-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnns1 ZINC001441960534 891470432 /nfs/dbraw/zinc/47/04/32/891470432.db2.gz JXMBJHPWTNIHLJ-SSDOTTSWSA-N 0 3 287.345 -1.693 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cc[nH]n1)C(=O)N(C)C ZINC001441965682 891470529 /nfs/dbraw/zinc/47/05/29/891470529.db2.gz QHUGFHAPRHFSBK-ZJUUUORDSA-N 0 3 297.359 -1.091 20 0 CAADHN Cc1ccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)nn1 ZINC001441984070 891471363 /nfs/dbraw/zinc/47/13/63/891471363.db2.gz ZUSGQQFGOFDAIO-VIFPVBQESA-N 0 3 281.316 -1.707 20 0 CAADHN CC[C@H](F)CNC[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001441983950 891471446 /nfs/dbraw/zinc/47/14/46/891471446.db2.gz YUDYXLZNVDJXJM-UWVGGRQHSA-N 0 3 288.327 -1.170 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cc1ncccc1F ZINC001441991760 891471615 /nfs/dbraw/zinc/47/16/15/891471615.db2.gz KRVYEIDJEZGVHI-VIFPVBQESA-N 0 3 298.318 -1.343 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1csnn1 ZINC001442001540 891471985 /nfs/dbraw/zinc/47/19/85/891471985.db2.gz ZIPOGZGFOPWYKM-SSDOTTSWSA-N 0 3 287.345 -1.693 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnco1 ZINC001441980362 891472036 /nfs/dbraw/zinc/47/20/36/891472036.db2.gz GMFMJARAVXMSFW-IUCAKERBSA-N 0 3 282.300 -1.414 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001441985058 891472076 /nfs/dbraw/zinc/47/20/76/891472076.db2.gz GELHBPUZJRJOJQ-HTQZYQBOSA-N 0 3 287.320 -3.177 20 0 CAADHN C[C@@H](CNC(=O)CCn1cnccc1=O)N[C@@H](C)C(N)=O ZINC001441985121 891472336 /nfs/dbraw/zinc/47/23/36/891472336.db2.gz RDBHBYHYZNMISQ-UWVGGRQHSA-N 0 3 295.343 -1.399 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001441988849 891472465 /nfs/dbraw/zinc/47/24/65/891472465.db2.gz MAUAGGFVZNOICM-VIFPVBQESA-N 0 3 298.347 -1.776 20 0 CAADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N[C@@H]1CCNC1=O ZINC001441993522 891472540 /nfs/dbraw/zinc/47/25/40/891472540.db2.gz ZGFXHJKORFPYRC-IONNQARKSA-N 0 3 293.327 -1.290 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)c1cn[nH]n1 ZINC001442000617 891472615 /nfs/dbraw/zinc/47/26/15/891472615.db2.gz OFZTVQZPFIRFSL-VIFPVBQESA-N 0 3 296.331 -1.894 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnco1 ZINC001441980370 891472642 /nfs/dbraw/zinc/47/26/42/891472642.db2.gz GMFMJARAVXMSFW-RKDXNWHRSA-N 0 3 282.300 -1.414 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnco1 ZINC001441980344 891472832 /nfs/dbraw/zinc/47/28/32/891472832.db2.gz GMFMJARAVXMSFW-BDAKNGLRSA-N 0 3 282.300 -1.414 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001441980223 891472922 /nfs/dbraw/zinc/47/29/22/891472922.db2.gz WBWCAUDMHBRGBP-NSHDSACASA-N 0 3 297.359 -1.883 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001441996576 891473172 /nfs/dbraw/zinc/47/31/72/891473172.db2.gz NBDYVRGXCSESLS-RKDXNWHRSA-N 0 3 296.331 -2.274 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CC1(O)CCC1 ZINC001441984051 891473400 /nfs/dbraw/zinc/47/34/00/891473400.db2.gz ZNTKQFFROAHMLK-SNVBAGLBSA-N 0 3 287.360 -1.554 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001441994965 891473539 /nfs/dbraw/zinc/47/35/39/891473539.db2.gz NVZKZUWYHIKULB-NSHDSACASA-N 0 3 298.343 -1.286 20 0 CAADHN C[C@H](CNC(=O)CCn1cnnn1)N[C@@H]1CCCNC1=O ZINC001441997753 891473657 /nfs/dbraw/zinc/47/36/57/891473657.db2.gz DCMUCFJOXNSQNG-NXEZZACHSA-N 0 3 295.347 -1.564 20 0 CAADHN Cc1nn(CC(=O)NC[C@H](C)NCCF)c(=O)n1C ZINC001442027158 891474870 /nfs/dbraw/zinc/47/48/70/891474870.db2.gz ZHTIRPATOAKAON-QMMMGPOBSA-N 0 3 273.312 -1.046 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@H](C)NCC(=O)NC)C1 ZINC001442043502 891474816 /nfs/dbraw/zinc/47/48/16/891474816.db2.gz FIFSNWLCOAOUHR-WDEREUQCSA-N 0 3 286.376 -1.453 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1ccnnc1)C(N)=O ZINC001442010831 891474923 /nfs/dbraw/zinc/47/49/23/891474923.db2.gz DPRLQUHIVQLIMR-QWRGUYRKSA-N 0 3 295.343 -1.237 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@H](C)NCC(=O)NC)C1 ZINC001442043497 891475115 /nfs/dbraw/zinc/47/51/15/891475115.db2.gz FIFSNWLCOAOUHR-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@H](CNC(=O)Cn1ccccc1=O)N[C@H](C)C(N)=O ZINC001442039539 891475101 /nfs/dbraw/zinc/47/51/01/891475101.db2.gz QCZAOAXNMIWXIB-NXEZZACHSA-N 0 3 280.328 -1.184 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C(C)(C)c1cnc[nH]1 ZINC001442042762 891475155 /nfs/dbraw/zinc/47/51/55/891475155.db2.gz PJTHROPHJVZFLT-SECBINFHSA-N 0 3 297.359 -1.419 20 0 CAADHN C[C@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)NCC(N)=O ZINC001442016030 891475224 /nfs/dbraw/zinc/47/52/24/891475224.db2.gz YFNNBJNGJUUBSA-VXNVDRBHSA-N 0 3 287.364 -1.351 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1nccs1 ZINC001442017946 891475239 /nfs/dbraw/zinc/47/52/39/891475239.db2.gz HUUQYQOPIMLTRP-ZETCQYMHSA-N 0 3 272.330 -1.349 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)Cc1cnc[nH]1)C(N)=O ZINC001442008951 891475397 /nfs/dbraw/zinc/47/53/97/891475397.db2.gz BOBBHMBJFWAIQW-WDEREUQCSA-N 0 3 297.359 -1.375 20 0 CAADHN Cc1ccnn1CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001442015447 891475403 /nfs/dbraw/zinc/47/54/03/891475403.db2.gz KZJQSQIHUQEMGR-WDEREUQCSA-N 0 3 297.359 -1.526 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1nccs1 ZINC001442017922 891475410 /nfs/dbraw/zinc/47/54/10/891475410.db2.gz HUUQYQOPIMLTRP-SSDOTTSWSA-N 0 3 272.330 -1.349 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)C[C@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001442021673 891475415 /nfs/dbraw/zinc/47/54/15/891475415.db2.gz CGKZSWFEQXJBJJ-NXEZZACHSA-N 0 3 295.343 -1.371 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H]1CCCNC1=O ZINC001442009551 891475426 /nfs/dbraw/zinc/47/54/26/891475426.db2.gz HJACUVMLADFOEF-BDAKNGLRSA-N 0 3 280.332 -1.280 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001442046927 891475449 /nfs/dbraw/zinc/47/54/49/891475449.db2.gz DULAXFUYXISRJC-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCNC(N)=O ZINC001442042469 891475454 /nfs/dbraw/zinc/47/54/54/891475454.db2.gz TWQRUOBVBMXQTL-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)no1 ZINC001442044564 891475483 /nfs/dbraw/zinc/47/54/83/891475483.db2.gz QFFYEHWWZUYHSK-QMMMGPOBSA-N 0 3 284.316 -1.255 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H]1CCCNC1=O ZINC001442010294 891475507 /nfs/dbraw/zinc/47/55/07/891475507.db2.gz HJACUVMLADFOEF-RKDXNWHRSA-N 0 3 280.332 -1.280 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1)C(N)=O ZINC001442008945 891475531 /nfs/dbraw/zinc/47/55/31/891475531.db2.gz BOBBHMBJFWAIQW-MNOVXSKESA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001442046459 891475619 /nfs/dbraw/zinc/47/56/19/891475619.db2.gz RWKKKXGQKJTHCK-SFYZADRCSA-N 0 3 272.305 -2.841 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001442046460 891475685 /nfs/dbraw/zinc/47/56/85/891475685.db2.gz RWKKKXGQKJTHCK-YUMQZZPRSA-N 0 3 272.305 -2.841 20 0 CAADHN Cc1ccnc2nc(C(=O)NC[C@H](C)NCC(N)=O)nn21 ZINC001442041493 891475737 /nfs/dbraw/zinc/47/57/37/891475737.db2.gz LZXWOTPODCDULT-ZETCQYMHSA-N 0 3 291.315 -1.374 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cccnn1 ZINC001442028548 891475809 /nfs/dbraw/zinc/47/58/09/891475809.db2.gz XABSHSNVNOCGSB-ZJUUUORDSA-N 0 3 293.327 -1.612 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001442046918 891475862 /nfs/dbraw/zinc/47/58/62/891475862.db2.gz AGMMJTGYMWTAEE-LLVKDONJSA-N 0 3 297.359 -1.620 20 0 CAADHN C[C@H](CNC(=O)Cn1ccccc1=O)N[C@@H](C)C(N)=O ZINC001442039551 891475936 /nfs/dbraw/zinc/47/59/36/891475936.db2.gz QCZAOAXNMIWXIB-ZJUUUORDSA-N 0 3 280.328 -1.184 20 0 CAADHN Cc1ccnn1CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001442015440 891475968 /nfs/dbraw/zinc/47/59/68/891475968.db2.gz KZJQSQIHUQEMGR-MNOVXSKESA-N 0 3 297.359 -1.526 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)C(C)(C)C ZINC001442018803 891476121 /nfs/dbraw/zinc/47/61/21/891476121.db2.gz BNLQACHEQIIBFW-QMMMGPOBSA-N 0 3 288.348 -1.364 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1nonc1C ZINC001442030713 891476183 /nfs/dbraw/zinc/47/61/83/891476183.db2.gz IVUXIQHBODSSNN-VIFPVBQESA-N 0 3 299.331 -1.925 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n(C)n1 ZINC001442015774 891476432 /nfs/dbraw/zinc/47/64/32/891476432.db2.gz CMZYQNONFVIWSE-JTQLQIEISA-N 0 3 297.359 -1.510 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@@H](C)NCC(=O)NC)C1 ZINC001442043495 891476595 /nfs/dbraw/zinc/47/65/95/891476595.db2.gz FIFSNWLCOAOUHR-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)Cc1cnc[nH]1)C(N)=O ZINC001442008948 891476712 /nfs/dbraw/zinc/47/67/12/891476712.db2.gz BOBBHMBJFWAIQW-QWRGUYRKSA-N 0 3 297.359 -1.375 20 0 CAADHN Cc1ccnn1CC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001442015427 891476938 /nfs/dbraw/zinc/47/69/38/891476938.db2.gz KZJQSQIHUQEMGR-GHMZBOCLSA-N 0 3 297.359 -1.526 20 0 CAADHN C[C@@H](CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)NCC(N)=O ZINC001442016027 891477038 /nfs/dbraw/zinc/47/70/38/891477038.db2.gz YFNNBJNGJUUBSA-IONNQARKSA-N 0 3 287.364 -1.351 20 0 CAADHN C[C@@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)NCC(N)=O ZINC001442016023 891477210 /nfs/dbraw/zinc/47/72/10/891477210.db2.gz YFNNBJNGJUUBSA-CBAPKCEASA-N 0 3 287.364 -1.351 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001442062744 891478590 /nfs/dbraw/zinc/47/85/90/891478590.db2.gz QWBQGRQSECHHAQ-VIFPVBQESA-N 0 3 299.331 -1.511 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001442071853 891478823 /nfs/dbraw/zinc/47/88/23/891478823.db2.gz XOHNGSOWUPBCMY-BDAKNGLRSA-N 0 3 297.359 -1.304 20 0 CAADHN Cc1ccnn1CC(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001442082470 891479317 /nfs/dbraw/zinc/47/93/17/891479317.db2.gz LPACHXZBUQOWFR-LBPRGKRZSA-N 0 3 284.360 -1.065 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001442059462 891479337 /nfs/dbraw/zinc/47/93/37/891479337.db2.gz RMMQYFKCCQLCDF-WDEREUQCSA-N 0 3 289.376 -1.356 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001442078234 891479500 /nfs/dbraw/zinc/47/95/00/891479500.db2.gz YYURTQVZRVRMDM-SECBINFHSA-N 0 3 271.321 -1.828 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001442071854 891479553 /nfs/dbraw/zinc/47/95/53/891479553.db2.gz XOHNGSOWUPBCMY-DTWKUNHWSA-N 0 3 297.359 -1.304 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001442085215 891479629 /nfs/dbraw/zinc/47/96/29/891479629.db2.gz VYALCDNTFGYFSE-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001442071855 891479835 /nfs/dbraw/zinc/47/98/35/891479835.db2.gz XOHNGSOWUPBCMY-IUCAKERBSA-N 0 3 297.359 -1.304 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001442050232 891480008 /nfs/dbraw/zinc/48/00/08/891480008.db2.gz OMKRKFRKKZFIHH-RKDXNWHRSA-N 0 3 293.389 -1.222 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001442068125 891480350 /nfs/dbraw/zinc/48/03/50/891480350.db2.gz BZSGGTXCSXYWRI-SECBINFHSA-N 0 3 282.348 -1.412 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001442066522 891480428 /nfs/dbraw/zinc/48/04/28/891480428.db2.gz GVZMZQRJYMMDCO-VIFPVBQESA-N 0 3 286.332 -1.219 20 0 CAADHN C[C@H](CNC(=O)CCN1CCCC1=O)N[C@@H]1CCNC1=O ZINC001442050248 891480468 /nfs/dbraw/zinc/48/04/68/891480468.db2.gz OPDAYHRBHUSWCP-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN Cc1ccnn1CC(=O)N(C)C[C@H](O)CN(C)CCO ZINC001442082467 891480588 /nfs/dbraw/zinc/48/05/88/891480588.db2.gz LPACHXZBUQOWFR-GFCCVEGCSA-N 0 3 284.360 -1.065 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001442048558 891480668 /nfs/dbraw/zinc/48/06/68/891480668.db2.gz GAMXNUGMFUFZJE-NXEZZACHSA-N 0 3 273.333 -1.992 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001442049694 891480837 /nfs/dbraw/zinc/48/08/37/891480837.db2.gz VLZSBZQJCWLKBE-SNVBAGLBSA-N 0 3 274.317 -1.382 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)Cn1ccnc1 ZINC001442055178 891480866 /nfs/dbraw/zinc/48/08/66/891480866.db2.gz HDWGVMXPKHOJIA-GHMZBOCLSA-N 0 3 295.343 -1.820 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001442068126 891481181 /nfs/dbraw/zinc/48/11/81/891481181.db2.gz BZSGGTXCSXYWRI-VIFPVBQESA-N 0 3 282.348 -1.412 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001442084778 891481451 /nfs/dbraw/zinc/48/14/51/891481451.db2.gz FDKGURURJPTEMO-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](CNC(=O)Cc1nc(C2CC2)nn1C)NCC(N)=O ZINC001442053405 891481465 /nfs/dbraw/zinc/48/14/65/891481465.db2.gz QQXAWJAAPSRDEB-QMMMGPOBSA-N 0 3 294.359 -1.185 20 0 CAADHN CN(C(=O)CS(C)(=O)=O)C1CC(NCC(N)=O)C1 ZINC001442229778 891488271 /nfs/dbraw/zinc/48/82/71/891488271.db2.gz CQRSSMFBSJOLEK-UHFFFAOYSA-N 0 3 277.346 -1.905 20 0 CAADHN COc1ccc(C(=O)N(C)C[C@@H](O)CN(C)CCO)nn1 ZINC001442095355 891482979 /nfs/dbraw/zinc/48/29/79/891482979.db2.gz OMUPMCORNNBVOD-JTQLQIEISA-N 0 3 298.343 -1.158 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCc2nncn2C1)NCC(N)=O ZINC001442138025 891483485 /nfs/dbraw/zinc/48/34/85/891483485.db2.gz TXTLARUWCGFKFN-BDAKNGLRSA-N 0 3 280.332 -1.580 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001442152337 891483772 /nfs/dbraw/zinc/48/37/72/891483772.db2.gz LATLMAMAIMSARH-JGVFFNPUSA-N 0 3 286.332 -1.299 20 0 CAADHN COCCN(CCNC(=O)c1ncn[nH]1)[C@@H](C)C(N)=O ZINC001442194624 891484007 /nfs/dbraw/zinc/48/40/07/891484007.db2.gz FUEYGTJDTDQKMX-QMMMGPOBSA-N 0 3 284.320 -1.643 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)c1nnn(C)n1)C(C)(C)C)C(N)=O ZINC001442166403 891484679 /nfs/dbraw/zinc/48/46/79/891484679.db2.gz FVHRMGWAMJIONW-HTQZYQBOSA-N 0 3 297.363 -1.182 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)C1CC(NCC(N)=O)C1 ZINC001442260875 891486452 /nfs/dbraw/zinc/48/64/52/891486452.db2.gz PXFCKVBAUKTLBZ-UHFFFAOYSA-N 0 3 291.373 -1.515 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC001442298739 891486602 /nfs/dbraw/zinc/48/66/02/891486602.db2.gz ORHUQHWAKMAVQQ-VXNVDRBHSA-N 0 3 256.306 -1.632 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC001442298734 891488354 /nfs/dbraw/zinc/48/83/54/891488354.db2.gz ORHUQHWAKMAVQQ-IONNQARKSA-N 0 3 256.306 -1.632 20 0 CAADHN Cc1nc(CN(C)CCNC(=O)[C@H]2CN(C)CCO2)n[nH]1 ZINC001442371235 891492145 /nfs/dbraw/zinc/49/21/45/891492145.db2.gz FSZDBUKOUSLLRH-LLVKDONJSA-N 0 3 296.375 -1.008 20 0 CAADHN COCCN(C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001442418158 891495452 /nfs/dbraw/zinc/49/54/52/891495452.db2.gz ZIDYHXZNPJFYJY-UHFFFAOYSA-N 0 3 284.320 -1.929 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CN1CCOCC1=O ZINC001442419755 891495572 /nfs/dbraw/zinc/49/55/72/891495572.db2.gz VVFWWVKDDHUFTR-SNVBAGLBSA-N 0 3 273.333 -1.726 20 0 CAADHN CCC[C@H](C(=O)NCCN(C)C[C@@H](C)O)S(N)(=O)=O ZINC001442481791 891495745 /nfs/dbraw/zinc/49/57/45/891495745.db2.gz PGGFKFGKHVTKLO-NXEZZACHSA-N 0 3 295.405 -1.128 20 0 CAADHN CCC[C@H](C(=O)NCCN(C)C[C@H](C)O)S(N)(=O)=O ZINC001442481801 891496025 /nfs/dbraw/zinc/49/60/25/891496025.db2.gz PGGFKFGKHVTKLO-VHSXEESVSA-N 0 3 295.405 -1.128 20 0 CAADHN CN(CCO)CCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001442480818 891496369 /nfs/dbraw/zinc/49/63/69/891496369.db2.gz KZEDIJATBVTGDL-UHFFFAOYSA-N 0 3 291.315 -1.289 20 0 CAADHN COC[C@H](C)N(C)CCNC(=O)CN1CCOCC1=O ZINC001442420695 891496575 /nfs/dbraw/zinc/49/65/75/891496575.db2.gz YDAMGOOMLLUUIG-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN COC[C@@H](C)N(C)CCNC(=O)CN1CCOCC1=O ZINC001442420692 891497055 /nfs/dbraw/zinc/49/70/55/891497055.db2.gz YDAMGOOMLLUUIG-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN CC[C@@H](CNC(=O)CCS(C)(=O)=O)N[C@H](C)C(N)=O ZINC001443956884 891541493 /nfs/dbraw/zinc/54/14/93/891541493.db2.gz QESSACIMXZUZHA-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1(O)COC1 ZINC001442972369 891511741 /nfs/dbraw/zinc/51/17/41/891511741.db2.gz HHKZCDPMBILLTM-NSHDSACASA-N 0 3 299.371 -1.193 20 0 CAADHN CCn1cc(C(=O)N(C)CCN[C@H]2CCNC2=O)nn1 ZINC001443090525 891514053 /nfs/dbraw/zinc/51/40/53/891514053.db2.gz GBGBSHNFOSWNRJ-VIFPVBQESA-N 0 3 280.332 -1.152 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CCS(C)(=O)=O)C(N)=O ZINC001443076053 891514077 /nfs/dbraw/zinc/51/40/77/891514077.db2.gz BQFUEWCHDODYGA-SECBINFHSA-N 0 3 293.389 -1.267 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1CCC(=O)NC1)C(N)=O ZINC001443075744 891514125 /nfs/dbraw/zinc/51/41/25/891514125.db2.gz AIDAAEQTKQEASG-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)C[C@@H]1CCC(=O)N1)C(N)=O ZINC001443078725 891514485 /nfs/dbraw/zinc/51/44/85/891514485.db2.gz LTCFGQSUKDLUMA-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccn(C)c(=O)c1)C(N)=O ZINC001443087351 891514573 /nfs/dbraw/zinc/51/45/73/891514573.db2.gz WKNWBCWCIKHYFJ-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001443074612 891514698 /nfs/dbraw/zinc/51/46/98/891514698.db2.gz CLCMIWCEKOFXAV-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CCn1ccnn1 ZINC001443085946 891514765 /nfs/dbraw/zinc/51/47/65/891514765.db2.gz VMHKENYKDOMNDC-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CS(C)(=O)=O ZINC001443059823 891514791 /nfs/dbraw/zinc/51/47/91/891514791.db2.gz BSFBFKYIQUPDNI-QMMMGPOBSA-N 0 3 277.346 -2.033 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1cncn1)C(=O)N(C)C ZINC001443086961 891515219 /nfs/dbraw/zinc/51/52/19/891515219.db2.gz CFWKIXHVXDMDLC-JTQLQIEISA-N 0 3 282.348 -1.197 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(N)=O ZINC001443062699 891514975 /nfs/dbraw/zinc/51/49/75/891514975.db2.gz COUPRSKBMNLHJO-NOOOWODRSA-N 0 3 299.371 -1.040 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)C(N)=O ZINC001443081866 891515266 /nfs/dbraw/zinc/51/52/66/891515266.db2.gz UQMNWIZIJPAAJE-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)C(N)=O ZINC001443081864 891515536 /nfs/dbraw/zinc/51/55/36/891515536.db2.gz UQMNWIZIJPAAJE-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN COc1cc(C(=O)N(C)CCN[C@@H]2CCNC2=O)nn1C ZINC001443083111 891515761 /nfs/dbraw/zinc/51/57/61/891515761.db2.gz NJCXAIGLHBITGQ-SECBINFHSA-N 0 3 295.343 -1.021 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001443060304 891516172 /nfs/dbraw/zinc/51/61/72/891516172.db2.gz CRXAZMPEPQLIHA-SECBINFHSA-N 0 3 281.320 -2.048 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccc(C(N)=O)[nH]1)C(N)=O ZINC001443082296 891516191 /nfs/dbraw/zinc/51/61/91/891516191.db2.gz UDFCCCQSIJWYOR-SSDOTTSWSA-N 0 3 281.316 -1.351 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(N)=O ZINC001443062687 891516397 /nfs/dbraw/zinc/51/63/97/891516397.db2.gz COUPRSKBMNLHJO-FIQHERPVSA-N 0 3 299.371 -1.040 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1CCC(=O)NC1)C(N)=O ZINC001443075740 891516462 /nfs/dbraw/zinc/51/64/62/891516462.db2.gz AIDAAEQTKQEASG-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001443078721 891516481 /nfs/dbraw/zinc/51/64/81/891516481.db2.gz GHWVBEPPJCPKKU-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CS(C)(=O)=O ZINC001443059736 891516488 /nfs/dbraw/zinc/51/64/88/891516488.db2.gz BSFBFKYIQUPDNI-MRVPVSSYSA-N 0 3 277.346 -2.033 20 0 CAADHN Cc1nnc(CC(=O)N(C)CCN[C@H]2CCCNC2=O)[nH]1 ZINC001443087392 891516558 /nfs/dbraw/zinc/51/65/58/891516558.db2.gz YYKXORYMOLLPBW-JTQLQIEISA-N 0 3 294.359 -1.018 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001443083470 891516572 /nfs/dbraw/zinc/51/65/72/891516572.db2.gz NMMCAKCGMKYQEE-IUCAKERBSA-N 0 3 285.348 -1.678 20 0 CAADHN CCN1CCO[C@@H](C(=O)N(C)CCN[C@H]2CCNC2=O)C1 ZINC001443102731 891517744 /nfs/dbraw/zinc/51/77/44/891517744.db2.gz QFJLESPARBHOJV-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN1CCO[C@@H](C(=O)N(C)CCN[C@@H]2CCNC2=O)C1 ZINC001443102735 891517894 /nfs/dbraw/zinc/51/78/94/891517894.db2.gz QFJLESPARBHOJV-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN NC(=O)CN(CC(N)=O)C(=O)[C@@H]1CC[C@H]2CCCCN21 ZINC001443298318 891518002 /nfs/dbraw/zinc/51/80/02/891518002.db2.gz VEMHQNDLGIYJBH-ZJUUUORDSA-N 0 3 282.344 -1.198 20 0 CAADHN CCCN(C(=O)Cn1ncnn1)[C@H]1CCN(CCO)C1 ZINC001443178561 891518170 /nfs/dbraw/zinc/51/81/70/891518170.db2.gz LGNSLXOVKWGURJ-NSHDSACASA-N 0 3 282.348 -1.022 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001443104986 891518571 /nfs/dbraw/zinc/51/85/71/891518571.db2.gz QDXPOZSVEVLUES-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCOC(=O)C[C@@H](O)C(=O)NCCN(C)CCOC ZINC001443152326 891518860 /nfs/dbraw/zinc/51/88/60/891518860.db2.gz IDQFQLQGXFZWQI-SNVBAGLBSA-N 0 3 276.333 -1.005 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001443104716 891519013 /nfs/dbraw/zinc/51/90/13/891519013.db2.gz UEALMZGMZIRIGT-MRVPVSSYSA-N 0 3 279.362 -1.657 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H](C)NC(N)=O)C1 ZINC001443230986 891519061 /nfs/dbraw/zinc/51/90/61/891519061.db2.gz NGMRCRVSKLXHBD-VHSXEESVSA-N 0 3 299.375 -1.383 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)CNC(=O)NC)C1 ZINC001443265259 891519378 /nfs/dbraw/zinc/51/93/78/891519378.db2.gz ZTCFDPSPQUQNGI-JTQLQIEISA-N 0 3 299.375 -1.510 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001443640038 891534402 /nfs/dbraw/zinc/53/44/02/891534402.db2.gz YVNHYURBVOHMCW-VIFPVBQESA-N 0 3 293.389 -1.693 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001443610895 891534644 /nfs/dbraw/zinc/53/46/44/891534644.db2.gz PFLNJVWDXJRRIA-NDBYEHHHSA-N 0 3 284.356 -1.066 20 0 CAADHN CCN1CC(CNC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001443639687 891535558 /nfs/dbraw/zinc/53/55/58/891535558.db2.gz AQMMAZWCLXNIMX-VIFPVBQESA-N 0 3 295.347 -1.754 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001443613672 891535994 /nfs/dbraw/zinc/53/59/94/891535994.db2.gz JMYXWAASBOSNCN-RISCZKNCSA-N 0 3 299.371 -1.290 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@@H](CC)NCC(N)=O ZINC001443949114 891541010 /nfs/dbraw/zinc/54/10/10/891541010.db2.gz ZOCFVDOUOXKRRX-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)NCC(=O)N(C)C ZINC001443911248 891541237 /nfs/dbraw/zinc/54/12/37/891541237.db2.gz BIJJNWIHSFLJMU-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@H](CC)NCC(N)=O ZINC001443949105 891541267 /nfs/dbraw/zinc/54/12/67/891541267.db2.gz ZOCFVDOUOXKRRX-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)NCCF ZINC001443945351 891542436 /nfs/dbraw/zinc/54/24/36/891542436.db2.gz UQPYLGYWOQUVJP-MRVPVSSYSA-N 0 3 286.311 -1.169 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H](C)OC)NCC(=O)NC(N)=O ZINC001443886851 891542563 /nfs/dbraw/zinc/54/25/63/891542563.db2.gz FSVHTRPWTSUIEF-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)NCC(=O)NC ZINC001443952414 891542625 /nfs/dbraw/zinc/54/26/25/891542625.db2.gz JIYZDJITXDXUQD-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)NC(C)=O)NCC(=O)NC ZINC001443887652 891543055 /nfs/dbraw/zinc/54/30/55/891543055.db2.gz LYQRZKDXOXJWPS-WCBMZHEXSA-N 0 3 272.349 -1.259 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)NCCF ZINC001443945352 891543181 /nfs/dbraw/zinc/54/31/81/891543181.db2.gz UQPYLGYWOQUVJP-QMMMGPOBSA-N 0 3 286.311 -1.169 20 0 CAADHN CC[C@@H](CNC(=O)CN(C)C(C)=O)NCC(=O)NC ZINC001443884230 891543209 /nfs/dbraw/zinc/54/32/09/891543209.db2.gz CVBWHKRYKISEGY-JTQLQIEISA-N 0 3 272.349 -1.305 20 0 CAADHN CC[C@H](CNC(=O)c1cnn(C)c1)NCC(=O)NC(N)=O ZINC001443883743 891543409 /nfs/dbraw/zinc/54/34/09/891543409.db2.gz GDFZMXTZBMGPTG-SECBINFHSA-N 0 3 296.331 -1.287 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)N[C@@H](C)C(=O)N(C)C ZINC001443917397 891543718 /nfs/dbraw/zinc/54/37/18/891543718.db2.gz OHAHCBHNRWTYDW-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@H](CNC(=O)CNC(C)=O)NCCS(C)(=O)=O ZINC001443886234 891543668 /nfs/dbraw/zinc/54/36/68/891543668.db2.gz KWQMIEIBCAFCKX-SNVBAGLBSA-N 0 3 293.389 -1.349 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H](C)NC(C)=O)NCC(=O)NC ZINC001443887651 891543766 /nfs/dbraw/zinc/54/37/66/891543766.db2.gz LYQRZKDXOXJWPS-SCZZXKLOSA-N 0 3 272.349 -1.259 20 0 CAADHN CCN(C(=O)CCNC(N)=O)[C@H]1CCN(CCO)C1 ZINC001443867551 891543939 /nfs/dbraw/zinc/54/39/39/891543939.db2.gz CJFYIUORNXGXAJ-JTQLQIEISA-N 0 3 272.349 -1.040 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)N[C@H](C)C(=O)N(C)C ZINC001443892854 891544009 /nfs/dbraw/zinc/54/40/09/891544009.db2.gz UFPXRDLNWLSNOK-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCCS1(=O)=O)NCC(N)=O ZINC001444035723 891545254 /nfs/dbraw/zinc/54/52/54/891545254.db2.gz RFFHVQMZURHBTH-RKDXNWHRSA-N 0 3 291.373 -1.467 20 0 CAADHN CC[C@H](CNC(=O)CN1CCNC(=O)C1)N[C@H](C)C(N)=O ZINC001443963116 891545275 /nfs/dbraw/zinc/54/52/75/891545275.db2.gz KBMRRFCSPXTHGU-NXEZZACHSA-N 0 3 299.375 -2.224 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(N)=O)N[C@H](C)C(=O)NC ZINC001444042272 891546216 /nfs/dbraw/zinc/54/62/16/891546216.db2.gz ZFNYDRSQPUJDPG-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N[C@H](C)C(N)=O ZINC001444043494 891546239 /nfs/dbraw/zinc/54/62/39/891546239.db2.gz SAXOTKCQKOLMNP-BDAKNGLRSA-N 0 3 297.359 -1.304 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001444031763 891546578 /nfs/dbraw/zinc/54/65/78/891546578.db2.gz KXHFDVVAYOGMJL-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@@H](CNC(=O)c1cccc(=O)n1C)NCC(N)=O ZINC001443982706 891546701 /nfs/dbraw/zinc/54/67/01/891546701.db2.gz LLECVAQMMFDCKI-VIFPVBQESA-N 0 3 280.328 -1.031 20 0 CAADHN CC[C@H](C(=O)N[C@@H](CO)CNC(=O)COC)N(C)C ZINC001444060017 891548744 /nfs/dbraw/zinc/54/87/44/891548744.db2.gz LSWWHCLLTATDMF-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN CC[C@H](CNC(=O)c1cn(C)c(=O)n1C)NCC(=O)NC ZINC001444049411 891549071 /nfs/dbraw/zinc/54/90/71/891549071.db2.gz ZIZKYRDROGZRLQ-SECBINFHSA-N 0 3 297.359 -1.432 20 0 CAADHN COCC(=O)NC[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)C ZINC001444062988 891551631 /nfs/dbraw/zinc/55/16/31/891551631.db2.gz QIWRGWWLLGPUBG-JQWIXIFHSA-N 0 3 289.376 -1.188 20 0 CAADHN NC(=O)C[NH2+]CC1(NC(=O)Cc2nnc[n-]2)CCCC1 ZINC001444087779 891555544 /nfs/dbraw/zinc/55/55/44/891555544.db2.gz KAVABSQNYSLQKU-UHFFFAOYSA-N 0 3 280.332 -1.149 20 0 CAADHN COC(=O)NCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(N)=O ZINC001444569032 891579994 /nfs/dbraw/zinc/57/99/94/891579994.db2.gz PUZVOHFFVWVEQW-YUMQZZPRSA-N 0 3 274.321 -1.347 20 0 CAADHN C[C@@H](CNCc1nccn1C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001444385889 891574012 /nfs/dbraw/zinc/57/40/12/891574012.db2.gz QJNMVJLTUQWSJY-VHSXEESVSA-N 0 3 294.359 -1.057 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@H]1CCN(C)C1=O ZINC001444389402 891574401 /nfs/dbraw/zinc/57/44/01/891574401.db2.gz MZUFFLWVFWLTRY-ZJUUUORDSA-N 0 3 294.359 -1.080 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNC(=O)CN(C)C(C)C ZINC001444583865 891580554 /nfs/dbraw/zinc/58/05/54/891580554.db2.gz VVXDZBPPMBIRSI-LLVKDONJSA-N 0 3 289.376 -1.092 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CNC(=O)C1CC1 ZINC001444570182 891581390 /nfs/dbraw/zinc/58/13/90/891581390.db2.gz STVKWOBSQSXUDX-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN COC(=O)NCC(=O)N(C)[C@H](C)CN[C@@H](C)C(N)=O ZINC001444569029 891581627 /nfs/dbraw/zinc/58/16/27/891581627.db2.gz PUZVOHFFVWVEQW-SFYZADRCSA-N 0 3 274.321 -1.347 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001444572176 891581963 /nfs/dbraw/zinc/58/19/63/891581963.db2.gz OXTNWZMLYGUQRN-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CNC(=O)C1CC1 ZINC001444570173 891582139 /nfs/dbraw/zinc/58/21/39/891582139.db2.gz STVKWOBSQSXUDX-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001444629232 891583489 /nfs/dbraw/zinc/58/34/89/891583489.db2.gz UPCPPYLKCPYXMO-MRVPVSSYSA-N 0 3 281.316 -1.684 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CNCC(=O)NC1CC1 ZINC001444611243 891583530 /nfs/dbraw/zinc/58/35/30/891583530.db2.gz IHFNRFWGTOHPLA-VIFPVBQESA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](NC[C@@H](C)N(C)C(=O)c1nccnc1N)C(N)=O ZINC001444606682 891583647 /nfs/dbraw/zinc/58/36/47/891583647.db2.gz SHUHEYAVSCENHU-HTQZYQBOSA-N 0 3 280.332 -1.017 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CCn1ccnn1)C(N)=O ZINC001444603325 891583720 /nfs/dbraw/zinc/58/37/20/891583720.db2.gz WVXGMLZSKYALOI-VHSXEESVSA-N 0 3 282.348 -1.022 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)c1nccnc1N ZINC001444606695 891584304 /nfs/dbraw/zinc/58/43/04/891584304.db2.gz SHUHEYAVSCENHU-SFYZADRCSA-N 0 3 280.332 -1.017 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[n-]1)N(C)C(=O)CC[NH+](C)C ZINC001444664969 891584464 /nfs/dbraw/zinc/58/44/64/891584464.db2.gz KQZHQFXUMOBWEQ-JTQLQIEISA-N 0 3 298.391 -1.003 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001444673952 891584590 /nfs/dbraw/zinc/58/45/90/891584590.db2.gz VLNSTKGPLGUBQU-RNCFNFMXSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001444656360 891584611 /nfs/dbraw/zinc/58/46/11/891584611.db2.gz QGQOTODBTHPXOQ-SFYZADRCSA-N 0 3 271.321 -2.068 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCn1ccnn1 ZINC001444603327 891584799 /nfs/dbraw/zinc/58/47/99/891584799.db2.gz WVXGMLZSKYALOI-ZJUUUORDSA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001444646098 891585038 /nfs/dbraw/zinc/58/50/38/891585038.db2.gz GIOQRDQNNOTBAS-ZJUUUORDSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CNCc1n[nH]c(C)n1 ZINC001444612831 891585134 /nfs/dbraw/zinc/58/51/34/891585134.db2.gz MBRZRWALQMWWEO-MRVPVSSYSA-N 0 3 297.363 -1.021 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001444616497 891585168 /nfs/dbraw/zinc/58/51/68/891585168.db2.gz SVNSNFADOQEHCV-BDAKNGLRSA-N 0 3 270.333 -1.614 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001444640313 891585348 /nfs/dbraw/zinc/58/53/48/891585348.db2.gz RVJWMNFXSAWJNP-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN Cc1nn(CC(=O)N(C)[C@H](C)CNCC(N)=O)c(=O)n1C ZINC001444712944 891586267 /nfs/dbraw/zinc/58/62/67/891586267.db2.gz KLHKSJPVGOEDEL-MRVPVSSYSA-N 0 3 298.347 -2.188 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCCC(N)=O ZINC001444730572 891586667 /nfs/dbraw/zinc/58/66/67/891586667.db2.gz RNRPLHPQOANHSC-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001444698327 891587415 /nfs/dbraw/zinc/58/74/15/891587415.db2.gz KUZMZSAKIZTGLV-KOLCDFICSA-N 0 3 296.371 -1.020 20 0 CAADHN CCn1nc(C(=O)N(C)[C@@H](C)CNCC(N)=O)ccc1=O ZINC001444679638 891587737 /nfs/dbraw/zinc/58/77/37/891587737.db2.gz DLHMVUREHCHSBX-VIFPVBQESA-N 0 3 295.343 -1.201 20 0 CAADHN Cc1nn(CC(=O)N(C)[C@@H](C)CNCC(N)=O)c(=O)n1C ZINC001444712949 891588268 /nfs/dbraw/zinc/58/82/68/891588268.db2.gz KLHKSJPVGOEDEL-QMMMGPOBSA-N 0 3 298.347 -2.188 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001444702160 891588343 /nfs/dbraw/zinc/58/83/43/891588343.db2.gz VUBBHYOYHLMLJU-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CCn1nc(C(=O)N(C)[C@H](C)CNCC(N)=O)ccc1=O ZINC001444679633 891588413 /nfs/dbraw/zinc/58/84/13/891588413.db2.gz DLHMVUREHCHSBX-SECBINFHSA-N 0 3 295.343 -1.201 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1cnn(C)n1)C(C)C ZINC001444911874 891589155 /nfs/dbraw/zinc/58/91/55/891589155.db2.gz JJOCEVBQYQWPIR-VIFPVBQESA-N 0 3 282.348 -1.095 20 0 CAADHN CC(C)[C@H](CNC(=O)c1cnn(C)c1N)NCC(N)=O ZINC001444855893 891589273 /nfs/dbraw/zinc/58/92/73/891589273.db2.gz GCPPWXDSHSUBGI-VIFPVBQESA-N 0 3 282.348 -1.168 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNCC(N)=O ZINC001444820356 891590317 /nfs/dbraw/zinc/59/03/17/891590317.db2.gz PSMBUZVXOVVFAR-MWLCHTKSSA-N 0 3 284.360 -1.176 20 0 CAADHN Cc1c(C(=O)NC[C@@H](NCC(N)=O)C(C)C)nnn1C ZINC001444854793 891590442 /nfs/dbraw/zinc/59/04/42/891590442.db2.gz ARGLFAAFPAJECO-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)C(C)C ZINC001444881703 891590672 /nfs/dbraw/zinc/59/06/72/891590672.db2.gz OYFQFBWGHDYUAH-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C(C)C ZINC001444881701 891591063 /nfs/dbraw/zinc/59/10/63/891591063.db2.gz OYFQFBWGHDYUAH-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)C[NH2+][C@H](CNC(=O)Cc1nnc[n-]1)C(C)C ZINC001444930872 891591312 /nfs/dbraw/zinc/59/13/12/891591312.db2.gz GSZLRTDHWKVVIU-SECBINFHSA-N 0 3 282.348 -1.176 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)CNC(C)=O)C(C)C ZINC001444842252 891591346 /nfs/dbraw/zinc/59/13/46/891591346.db2.gz NMVUTMIDMAJUJY-NSHDSACASA-N 0 3 286.376 -1.011 20 0 CAADHN C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNCC(N)=O ZINC001444826948 891591442 /nfs/dbraw/zinc/59/14/42/891591442.db2.gz KTUNFXRCQOARQJ-ZJUUUORDSA-N 0 3 295.347 -1.625 20 0 CAADHN CC(C)C[C@@H](C[NH2+]CC(N)=O)NC(=O)Cc1nnc[n-]1 ZINC001444757553 891591545 /nfs/dbraw/zinc/59/15/45/891591545.db2.gz JXSCLYDCFNQHIX-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC(N)=O ZINC001444820352 891591682 /nfs/dbraw/zinc/59/16/82/891591682.db2.gz PSMBUZVXOVVFAR-KOLCDFICSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)C[NH2+][C@@H](CNC(=O)Cc1nnc[n-]1)C(C)C ZINC001444931690 891591741 /nfs/dbraw/zinc/59/17/41/891591741.db2.gz GSZLRTDHWKVVIU-VIFPVBQESA-N 0 3 282.348 -1.176 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001445010780 891592757 /nfs/dbraw/zinc/59/27/57/891592757.db2.gz MNRGDTXAMCXORC-JTQLQIEISA-N 0 3 298.343 -1.280 20 0 CAADHN CN(CCN(C)C(=O)[C@@H]1CCCN1C)CC(=O)NC(N)=O ZINC001444955346 891593521 /nfs/dbraw/zinc/59/35/21/891593521.db2.gz LJFVLWQHSSUOAG-JTQLQIEISA-N 0 3 299.375 -1.334 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001444984587 891593655 /nfs/dbraw/zinc/59/36/55/891593655.db2.gz AVVHVBKFAKKKAC-VIFPVBQESA-N 0 3 298.347 -1.852 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001445010784 891595124 /nfs/dbraw/zinc/59/51/24/891595124.db2.gz MNRGDTXAMCXORC-SNVBAGLBSA-N 0 3 298.343 -1.280 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001445011944 891595700 /nfs/dbraw/zinc/59/57/00/891595700.db2.gz VUDDNVXJWYXIMY-SNVBAGLBSA-N 0 3 285.348 -1.647 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C1CCOCC1 ZINC001445114698 891597262 /nfs/dbraw/zinc/59/72/62/891597262.db2.gz FLESPTUAZXJVMP-GXSJLCMTSA-N 0 3 287.360 -1.386 20 0 CAADHN CC(C)OCC(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001445128356 891597308 /nfs/dbraw/zinc/59/73/08/891597308.db2.gz DKDHYRZSVDSIIG-GHMZBOCLSA-N 0 3 287.360 -1.243 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001445125582 891597621 /nfs/dbraw/zinc/59/76/21/891597621.db2.gz CCUJWHGCZYEKNY-SNVBAGLBSA-N 0 3 298.347 -1.842 20 0 CAADHN O=C(CCn1cccn1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001445125324 891597890 /nfs/dbraw/zinc/59/78/90/891597890.db2.gz AGLMVUSRXVHBKR-QWRGUYRKSA-N 0 3 295.343 -1.772 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)C2CCOCC2)C1=O ZINC001445111425 891598078 /nfs/dbraw/zinc/59/80/78/891598078.db2.gz ANDBYJNMZOENBR-NWDGAFQWSA-N 0 3 299.371 -1.290 20 0 CAADHN CC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001445108431 891598243 /nfs/dbraw/zinc/59/82/43/891598243.db2.gz JGURIYFZZCWNDW-WPRPVWTQSA-N 0 3 288.348 -1.304 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)C2CCOCC2)C1=O ZINC001445111416 891598262 /nfs/dbraw/zinc/59/82/62/891598262.db2.gz ANDBYJNMZOENBR-NEPJUHHUSA-N 0 3 299.371 -1.290 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN(C)[C@@H](C)COC ZINC001445096759 891598480 /nfs/dbraw/zinc/59/84/80/891598480.db2.gz ZDBVKCUPPMFWBJ-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1C ZINC001445131567 891598695 /nfs/dbraw/zinc/59/86/95/891598695.db2.gz JFHZIZAAFKGAKV-WDEREUQCSA-N 0 3 294.355 -1.098 20 0 CAADHN CC(C)OCC(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001445128372 891598960 /nfs/dbraw/zinc/59/89/60/891598960.db2.gz DKDHYRZSVDSIIG-WDEREUQCSA-N 0 3 287.360 -1.243 20 0 CAADHN O=C(CCn1cccn1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001445125320 891599000 /nfs/dbraw/zinc/59/90/00/891599000.db2.gz AGLMVUSRXVHBKR-GHMZBOCLSA-N 0 3 295.343 -1.772 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)CC1CC1 ZINC001445115472 891599507 /nfs/dbraw/zinc/59/95/07/891599507.db2.gz HDARIGSUKQZSDJ-SECBINFHSA-N 0 3 286.332 -1.691 20 0 CAADHN CC(F)(F)C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001445112793 891599675 /nfs/dbraw/zinc/59/96/75/891599675.db2.gz CNKPWQQSPLMPDC-QMMMGPOBSA-N 0 3 279.287 -1.013 20 0 CAADHN O=C(CCn1cccn1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001445125321 891599718 /nfs/dbraw/zinc/59/97/18/891599718.db2.gz AGLMVUSRXVHBKR-MNOVXSKESA-N 0 3 295.343 -1.772 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)C1=COCCO1)C(N)=O ZINC001445129609 891599915 /nfs/dbraw/zinc/59/99/15/891599915.db2.gz DKRODWHBMTYLOO-RKDXNWHRSA-N 0 3 287.316 -1.795 20 0 CAADHN CCC(=O)NC[C@@H](O)CNCC(=O)NC[C@H]1CCCO1 ZINC001445121280 891599983 /nfs/dbraw/zinc/59/99/83/891599983.db2.gz WYKGNGZEWCYSOL-WDEREUQCSA-N 0 3 287.360 -1.242 20 0 CAADHN CC(F)(F)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001445113012 891600192 /nfs/dbraw/zinc/60/01/92/891600192.db2.gz DSQCCBHEMDVJHG-RXMQYKEDSA-N 0 3 282.247 -2.097 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cccnc1)N1CCC1 ZINC001445143670 891601472 /nfs/dbraw/zinc/60/14/72/891601472.db2.gz OBTWXABGOZOYFC-GFCCVEGCSA-N 0 3 292.339 -1.006 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2CCCO2)n[nH]1 ZINC001445142159 891601500 /nfs/dbraw/zinc/60/15/00/891601500.db2.gz NMBORJGTVRHPEK-VHSXEESVSA-N 0 3 283.332 -1.141 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)[C@@H]2CCCO2)n[nH]1 ZINC001445142154 891601554 /nfs/dbraw/zinc/60/15/54/891601554.db2.gz NMBORJGTVRHPEK-UWVGGRQHSA-N 0 3 283.332 -1.141 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)Cn1cnnn1)NC1CC1 ZINC001445135728 891601649 /nfs/dbraw/zinc/60/16/49/891601649.db2.gz QCIFLYOXZBXJSX-SECBINFHSA-N 0 3 297.319 -2.982 20 0 CAADHN CC(C)CCC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001445132233 891601774 /nfs/dbraw/zinc/60/17/74/891601774.db2.gz GFHVSYFMYNPHDP-VIFPVBQESA-N 0 3 288.348 -1.316 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CN(C)C(C)=O ZINC001445139355 891601830 /nfs/dbraw/zinc/60/18/30/891601830.db2.gz PPMABTARTPVVKD-WCBMZHEXSA-N 0 3 288.348 -2.334 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001445137535 891602064 /nfs/dbraw/zinc/60/20/64/891602064.db2.gz NHEWZHQDYUIBPU-GFCCVEGCSA-N 0 3 297.359 -1.535 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CN(C)C(C)=O ZINC001445139357 891602540 /nfs/dbraw/zinc/60/25/40/891602540.db2.gz PPMABTARTPVVKD-WPRPVWTQSA-N 0 3 288.348 -2.334 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001445147039 891602592 /nfs/dbraw/zinc/60/25/92/891602592.db2.gz DOYMKVSYLDXRCQ-SNVBAGLBSA-N 0 3 283.332 -1.432 20 0 CAADHN CC[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001445144998 891602758 /nfs/dbraw/zinc/60/27/58/891602758.db2.gz XYQVSHDOLNYONH-HTQZYQBOSA-N 0 3 274.321 -1.706 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cnn1C ZINC001445145026 891602787 /nfs/dbraw/zinc/60/27/87/891602787.db2.gz YFLYXIFMZCLVTO-CBAPKCEASA-N 0 3 283.332 -1.717 20 0 CAADHN CC[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)NC(=O)NC ZINC001445145278 891602836 /nfs/dbraw/zinc/60/28/36/891602836.db2.gz ZKZLWKHWFSADLM-RKDXNWHRSA-N 0 3 288.348 -1.445 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCOC1)N1CCC1 ZINC001445131699 891602916 /nfs/dbraw/zinc/60/29/16/891602916.db2.gz HKHSIMYSWWSORV-QWRGUYRKSA-N 0 3 285.344 -1.678 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CN(C)C(C)=O ZINC001445139350 891602934 /nfs/dbraw/zinc/60/29/34/891602934.db2.gz PPMABTARTPVVKD-SCZZXKLOSA-N 0 3 288.348 -2.334 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC(C)C ZINC001445132626 891602975 /nfs/dbraw/zinc/60/29/75/891602975.db2.gz HZNMGPZQBROINF-ZJUUUORDSA-N 0 3 275.349 -1.387 20 0 CAADHN CC[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC(=O)NC ZINC001445145277 891602998 /nfs/dbraw/zinc/60/29/98/891602998.db2.gz ZKZLWKHWFSADLM-IUCAKERBSA-N 0 3 288.348 -1.445 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CC(F)(F)F ZINC001445140637 891603071 /nfs/dbraw/zinc/60/30/71/891603071.db2.gz WIRUXXIAWCAZIY-ZCFIWIBFSA-N 0 3 271.239 -1.249 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCn1cccn1 ZINC001445139062 891603092 /nfs/dbraw/zinc/60/30/92/891603092.db2.gz OINWVPPHOSGVQQ-JTQLQIEISA-N 0 3 283.332 -1.914 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1=COCCC1 ZINC001445141399 891603107 /nfs/dbraw/zinc/60/31/07/891603107.db2.gz XDOAHYBCUGEYJS-SNVBAGLBSA-N 0 3 271.317 -1.507 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)on1 ZINC001445134582 891603153 /nfs/dbraw/zinc/60/31/53/891603153.db2.gz OXMPJDAGTCQDCC-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)Cn1cnnn1)NC1CC1 ZINC001445135770 891603197 /nfs/dbraw/zinc/60/31/97/891603197.db2.gz QCIFLYOXZBXJSX-VIFPVBQESA-N 0 3 297.319 -2.982 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCCCO1)NC1CC1 ZINC001445146508 891603234 /nfs/dbraw/zinc/60/32/34/891603234.db2.gz ALJVEUCMUNLSCQ-VXGBXAGGSA-N 0 3 299.371 -1.099 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)on1 ZINC001445139719 891603352 /nfs/dbraw/zinc/60/33/52/891603352.db2.gz WZQIKEFODMBUAZ-SNVBAGLBSA-N 0 3 296.327 -1.058 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CN(C)C(C)=O ZINC001445139345 891603706 /nfs/dbraw/zinc/60/37/06/891603706.db2.gz PPMABTARTPVVKD-PSASIEDQSA-N 0 3 288.348 -2.334 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCOC1)N1CCC1 ZINC001445131732 891603749 /nfs/dbraw/zinc/60/37/49/891603749.db2.gz HKHSIMYSWWSORV-WDEREUQCSA-N 0 3 285.344 -1.678 20 0 CAADHN O=C(NC[C@H](O)C[NH2+][C@H]1CCNC1=O)c1ccccc1[O-] ZINC001445134284 891604186 /nfs/dbraw/zinc/60/41/86/891604186.db2.gz KEVZNLBBWWOQAP-KOLCDFICSA-N 0 3 293.323 -1.039 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccn(C)c1 ZINC001445146636 891604230 /nfs/dbraw/zinc/60/42/30/891604230.db2.gz ASJHMZIVKJQNFO-LLVKDONJSA-N 0 3 282.344 -1.159 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnccn1 ZINC001445154715 891605188 /nfs/dbraw/zinc/60/51/88/891605188.db2.gz WZAWSMLZYXBFAU-VIFPVBQESA-N 0 3 281.316 -1.755 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CNC(=O)C1CC1 ZINC001445149051 891605368 /nfs/dbraw/zinc/60/53/68/891605368.db2.gz GGGHWGRGXLXUMX-MRVPVSSYSA-N 0 3 272.305 -2.935 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnnn1C)C(=O)N(C)C ZINC001445154557 891605446 /nfs/dbraw/zinc/60/54/46/891605446.db2.gz KLBKAYHVBQAQJW-BDAKNGLRSA-N 0 3 298.347 -2.028 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cocn2)C1=O ZINC001445149709 891605998 /nfs/dbraw/zinc/60/59/98/891605998.db2.gz GWEBHTWOCBTOKV-RKDXNWHRSA-N 0 3 282.300 -1.414 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1=CCOCC1)N1CCC1 ZINC001445151984 891606404 /nfs/dbraw/zinc/60/64/04/891606404.db2.gz PZVSKWWIRQIRCB-GFCCVEGCSA-N 0 3 297.355 -1.368 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnnn1C)C(=O)N(C)C ZINC001445155009 891606462 /nfs/dbraw/zinc/60/64/62/891606462.db2.gz KLBKAYHVBQAQJW-IUCAKERBSA-N 0 3 298.347 -2.028 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cncnc1 ZINC001445155045 891606616 /nfs/dbraw/zinc/60/66/16/891606616.db2.gz TYXRZWWQCKDBLA-LLVKDONJSA-N 0 3 295.343 -1.365 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001445152392 891606672 /nfs/dbraw/zinc/60/66/72/891606672.db2.gz VCWNIOAWDVLPNR-JTQLQIEISA-N 0 3 286.332 -2.579 20 0 CAADHN Cc1cc(CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)no1 ZINC001445151553 891606746 /nfs/dbraw/zinc/60/67/46/891606746.db2.gz IVUQYTKBWFNWQZ-WCBMZHEXSA-N 0 3 284.316 -1.534 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cccnc1)[C@H]1CCC(=O)N1 ZINC001445151449 891606931 /nfs/dbraw/zinc/60/69/31/891606931.db2.gz IHUVUDJEAGSEJI-NWDGAFQWSA-N 0 3 292.339 -1.073 20 0 CAADHN CCc1ocnc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001445149811 891607056 /nfs/dbraw/zinc/60/70/56/891607056.db2.gz DUFYUNSJLUFCBH-BDAKNGLRSA-N 0 3 296.327 -1.194 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CNC(C)=O ZINC001445149137 891607280 /nfs/dbraw/zinc/60/72/80/891607280.db2.gz RDELFRJPQCEHCE-APPZFPTMSA-N 0 3 274.321 -2.676 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001445151874 891607348 /nfs/dbraw/zinc/60/73/48/891607348.db2.gz JPYBQXCLYLAOPO-KOLCDFICSA-N 0 3 295.343 -1.703 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001445151861 891607455 /nfs/dbraw/zinc/60/74/55/891607455.db2.gz JPYBQXCLYLAOPO-GXSJLCMTSA-N 0 3 295.343 -1.703 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)ncn1 ZINC001445148979 891607498 /nfs/dbraw/zinc/60/74/98/891607498.db2.gz FQNVYDMBMXEBPF-VHSXEESVSA-N 0 3 293.327 -1.646 20 0 CAADHN Cc1cc(CC(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)no1 ZINC001445151506 891607512 /nfs/dbraw/zinc/60/75/12/891607512.db2.gz IRUSHVPCPANKFF-GHMZBOCLSA-N 0 3 296.327 -1.519 20 0 CAADHN Cc1cc(CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)no1 ZINC001445151546 891607552 /nfs/dbraw/zinc/60/75/52/891607552.db2.gz IVUQYTKBWFNWQZ-SCZZXKLOSA-N 0 3 284.316 -1.534 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cncnc1 ZINC001445155049 891607581 /nfs/dbraw/zinc/60/75/81/891607581.db2.gz TYXRZWWQCKDBLA-NSHDSACASA-N 0 3 295.343 -1.365 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)C1=COCCO1 ZINC001445151418 891607706 /nfs/dbraw/zinc/60/77/06/891607706.db2.gz XDHICMGCGBUHKZ-NSHDSACASA-N 0 3 296.327 -1.125 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)[nH]1 ZINC001445147538 891607810 /nfs/dbraw/zinc/60/78/10/891607810.db2.gz FOSSSZXUKFZRMX-IUCAKERBSA-N 0 3 281.316 -1.713 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1nccc(C)n1 ZINC001445164229 891609201 /nfs/dbraw/zinc/60/92/01/891609201.db2.gz XMIYMGBALPCAKX-ZJUUUORDSA-N 0 3 295.343 -1.400 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CN[C@H]1CCCN(C)C1=O ZINC001445155513 891609525 /nfs/dbraw/zinc/60/95/25/891609525.db2.gz ZWARREDSADTADU-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001445155711 891609682 /nfs/dbraw/zinc/60/96/82/891609682.db2.gz NSPKPYCILUQJIF-UWVGGRQHSA-N 0 3 296.327 -1.269 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001445165626 891609740 /nfs/dbraw/zinc/60/97/40/891609740.db2.gz XDKKXPLMUIZFNF-LLVKDONJSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001445161189 891609959 /nfs/dbraw/zinc/60/99/59/891609959.db2.gz PIUZQBGPIFKIQX-DTWKUNHWSA-N 0 3 275.305 -2.786 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)co1 ZINC001445157633 891610003 /nfs/dbraw/zinc/61/00/03/891610003.db2.gz ZRNOWJYSDWMSFR-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)n[nH]1 ZINC001445161030 891610144 /nfs/dbraw/zinc/61/01/44/891610144.db2.gz QSMLFAICTKTKDG-RKDXNWHRSA-N 0 3 296.331 -2.042 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cc[nH]c(=O)c1 ZINC001445162849 891610255 /nfs/dbraw/zinc/61/02/55/891610255.db2.gz ZDCNTAHCTURACX-VHSXEESVSA-N 0 3 294.311 -1.644 20 0 CAADHN CCOCC(=O)NC[C@H](O)CN[C@H]1CCCN(C)C1=O ZINC001445155512 891610696 /nfs/dbraw/zinc/61/06/96/891610696.db2.gz ZWARREDSADTADU-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001445162927 891610788 /nfs/dbraw/zinc/61/07/88/891610788.db2.gz SWCRXLMWJJXPEK-JGVFFNPUSA-N 0 3 282.300 -1.659 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1ccnn1C ZINC001445170932 891610859 /nfs/dbraw/zinc/61/08/59/891610859.db2.gz BKCIQBKTMLPSCI-LLVKDONJSA-N 0 3 297.359 -1.835 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1cccnc1 ZINC001445157071 891610915 /nfs/dbraw/zinc/61/09/15/891610915.db2.gz POLRDOQNLDMOFN-GFCCVEGCSA-N 0 3 294.355 -1.173 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001445155712 891610991 /nfs/dbraw/zinc/61/09/91/891610991.db2.gz NSPKPYCILUQJIF-VHSXEESVSA-N 0 3 296.327 -1.269 20 0 CAADHN CCn1ccnc1C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC ZINC001445157772 891611012 /nfs/dbraw/zinc/61/10/12/891611012.db2.gz NZAMRLFZYZFZCF-UWVGGRQHSA-N 0 3 297.359 -1.282 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)n[nH]1 ZINC001445161028 891611057 /nfs/dbraw/zinc/61/10/57/891611057.db2.gz QSMLFAICTKTKDG-DTWKUNHWSA-N 0 3 296.331 -2.042 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001445161193 891611428 /nfs/dbraw/zinc/61/14/28/891611428.db2.gz PIUZQBGPIFKIQX-RKDXNWHRSA-N 0 3 275.305 -2.786 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)c1 ZINC001445162194 891611548 /nfs/dbraw/zinc/61/15/48/891611548.db2.gz YTAULTPUEITREZ-JTQLQIEISA-N 0 3 295.343 -1.667 20 0 CAADHN COC1(CC(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)CCC1 ZINC001445164074 891611591 /nfs/dbraw/zinc/61/15/91/891611591.db2.gz XAQFFFGMKFXBQC-GHMZBOCLSA-N 0 3 299.371 -1.099 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccn(C(F)F)n1 ZINC001445184970 891612959 /nfs/dbraw/zinc/61/29/59/891612959.db2.gz PABJTRBTGACWQG-ZCFIWIBFSA-N 0 3 291.258 -1.556 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001445177644 891612986 /nfs/dbraw/zinc/61/29/86/891612986.db2.gz DVOFUBYGHKWKGB-SECBINFHSA-N 0 3 298.347 -1.978 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1(C(F)F)CC1 ZINC001445185987 891613193 /nfs/dbraw/zinc/61/31/93/891613193.db2.gz QOQLBFGTXAFEGQ-ZETCQYMHSA-N 0 3 279.287 -1.156 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccc(C)nn1)C(N)=O ZINC001445180898 891613241 /nfs/dbraw/zinc/61/32/41/891613241.db2.gz LHGRTFROLIJKEB-ZJUUUORDSA-N 0 3 295.343 -1.271 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001445188499 891613365 /nfs/dbraw/zinc/61/33/65/891613365.db2.gz UKHBDUJVZKGRMN-ZJUUUORDSA-N 0 3 295.343 -1.703 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1(C(F)F)CC1)C(N)=O ZINC001445190531 891613442 /nfs/dbraw/zinc/61/34/42/891613442.db2.gz XGGGYIDAOYKOSG-BQBZGAKWSA-N 0 3 279.287 -1.028 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1nn(C)cc1C ZINC001445178193 891613520 /nfs/dbraw/zinc/61/35/20/891613520.db2.gz HXXSMSGKQNOWBH-UWVGGRQHSA-N 0 3 297.359 -1.457 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001445179109 891613684 /nfs/dbraw/zinc/61/36/84/891613684.db2.gz CCWKQKTXWSKABH-DTWKUNHWSA-N 0 3 295.299 -2.249 20 0 CAADHN Cn1ncc(C2CC2)c1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001445187607 891613745 /nfs/dbraw/zinc/61/37/45/891613745.db2.gz DBGVGTTYSSQPOB-VIFPVBQESA-N 0 3 295.343 -1.537 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](O)CNCc1cccnc1 ZINC001445184208 891613917 /nfs/dbraw/zinc/61/39/17/891613917.db2.gz PTFSCQQTBQPZML-LLVKDONJSA-N 0 3 291.315 -1.665 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)Cn2ncnn2)C1=O ZINC001445187491 891613941 /nfs/dbraw/zinc/61/39/41/891613941.db2.gz RSQGVGMSYDPRRT-RKDXNWHRSA-N 0 3 297.319 -3.030 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)CC1=O ZINC001445190127 891614007 /nfs/dbraw/zinc/61/40/07/891614007.db2.gz FLJPILQUPRBSRF-SFYZADRCSA-N 0 3 272.305 -2.983 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001445179106 891614087 /nfs/dbraw/zinc/61/40/87/891614087.db2.gz CCWKQKTXWSKABH-BDAKNGLRSA-N 0 3 295.299 -2.249 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1nn(C)cc1C ZINC001445178207 891614716 /nfs/dbraw/zinc/61/47/16/891614716.db2.gz HXXSMSGKQNOWBH-VHSXEESVSA-N 0 3 297.359 -1.457 20 0 CAADHN Cc1c(CCC(=O)NC[C@H](O)CNCC(N)=O)cnn1C ZINC001445181998 891614750 /nfs/dbraw/zinc/61/47/50/891614750.db2.gz NRRRIJWNWPNOKR-LLVKDONJSA-N 0 3 297.359 -1.787 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccc(C)nn1)C(N)=O ZINC001445180891 891614845 /nfs/dbraw/zinc/61/48/45/891614845.db2.gz LHGRTFROLIJKEB-UWVGGRQHSA-N 0 3 295.343 -1.271 20 0 CAADHN COc1nc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)co1 ZINC001445198650 891615893 /nfs/dbraw/zinc/61/58/93/891615893.db2.gz FQISCDQMCVLBBF-SFYZADRCSA-N 0 3 298.299 -1.748 20 0 CAADHN O=C(CCc1c[nH]cn1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001445216164 891616076 /nfs/dbraw/zinc/61/60/76/891616076.db2.gz ZKDJTIRSNKYEBK-WDEREUQCSA-N 0 3 295.343 -1.703 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1ccon1)C(N)=O ZINC001445216387 891616146 /nfs/dbraw/zinc/61/61/46/891616146.db2.gz ULCXSPUWOUDEOH-WCBMZHEXSA-N 0 3 284.316 -1.452 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnco1 ZINC001445206002 891616186 /nfs/dbraw/zinc/61/61/86/891616186.db2.gz OPXXDSMFDCLXKC-SECBINFHSA-N 0 3 284.316 -1.167 20 0 CAADHN CO[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1CCC1 ZINC001445212484 891616277 /nfs/dbraw/zinc/61/62/77/891616277.db2.gz XCDVMMDENTTXGN-ONGXEEELSA-N 0 3 273.333 -1.647 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1(C(F)F)CC1)C(N)=O ZINC001445190544 891616312 /nfs/dbraw/zinc/61/63/12/891616312.db2.gz XGGGYIDAOYKOSG-RQJHMYQMSA-N 0 3 279.287 -1.028 20 0 CAADHN COc1nc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)co1 ZINC001445198626 891616366 /nfs/dbraw/zinc/61/63/66/891616366.db2.gz FQISCDQMCVLBBF-HTQZYQBOSA-N 0 3 298.299 -1.748 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ncc[nH]1)C(=O)NC1CC1 ZINC001445204581 891616670 /nfs/dbraw/zinc/61/66/70/891616670.db2.gz ZCIJGXQAIFUUMB-WPRPVWTQSA-N 0 3 295.343 -1.243 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001445196726 891617073 /nfs/dbraw/zinc/61/70/73/891617073.db2.gz RTNMOHGGKBWHHC-LLVKDONJSA-N 0 3 299.371 -1.410 20 0 CAADHN COc1nc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)co1 ZINC001445198848 891617224 /nfs/dbraw/zinc/61/72/24/891617224.db2.gz FSTHPKKEKUWBGT-NKWVEPMBSA-N 0 3 286.288 -1.763 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cncn2C)n[nH]1 ZINC001445201232 891617254 /nfs/dbraw/zinc/61/72/54/891617254.db2.gz KBBZSTOMYFRARH-VIFPVBQESA-N 0 3 293.331 -1.273 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cnccc1C ZINC001445202752 891617552 /nfs/dbraw/zinc/61/75/52/891617552.db2.gz VXLRGDAOQCASRZ-GFCCVEGCSA-N 0 3 294.355 -1.255 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ncc(Cl)s1 ZINC001445202613 891617574 /nfs/dbraw/zinc/61/75/74/891617574.db2.gz GCRUKVPKEHHIDD-YFKPBYRVSA-N 0 3 292.748 -1.038 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ncc(Cl)s1 ZINC001445202611 891617779 /nfs/dbraw/zinc/61/77/79/891617779.db2.gz GCRUKVPKEHHIDD-RXMQYKEDSA-N 0 3 292.748 -1.038 20 0 CAADHN COc1nc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)co1 ZINC001445198676 891617820 /nfs/dbraw/zinc/61/78/20/891617820.db2.gz FSTHPKKEKUWBGT-BQBZGAKWSA-N 0 3 286.288 -1.763 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CC1CC(F)(F)C1 ZINC001445212741 891618031 /nfs/dbraw/zinc/61/80/31/891618031.db2.gz QSCPWGWLMXOGHM-QMMMGPOBSA-N 0 3 279.287 -1.026 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cncn1C ZINC001445210551 891618074 /nfs/dbraw/zinc/61/80/74/891618074.db2.gz UHTNOPIRLYLIEE-BDAKNGLRSA-N 0 3 283.332 -1.765 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001445212081 891618174 /nfs/dbraw/zinc/61/81/74/891618174.db2.gz NYQLHHLEXLWPHS-NSHDSACASA-N 0 3 297.359 -1.654 20 0 CAADHN CO[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1CCC1 ZINC001445212462 891618217 /nfs/dbraw/zinc/61/82/17/891618217.db2.gz XCDVMMDENTTXGN-GXSJLCMTSA-N 0 3 273.333 -1.647 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1ccon1)C(N)=O ZINC001445216392 891618315 /nfs/dbraw/zinc/61/83/15/891618315.db2.gz ULCXSPUWOUDEOH-WPRPVWTQSA-N 0 3 284.316 -1.452 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cccnc1)[C@@H]1CNC(=O)N1 ZINC001445232961 891619443 /nfs/dbraw/zinc/61/94/43/891619443.db2.gz MZVGENSARBOFMT-QWRGUYRKSA-N 0 3 293.327 -1.670 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001445238877 891619740 /nfs/dbraw/zinc/61/97/40/891619740.db2.gz MCUQDZKDWFMPAQ-MWLCHTKSSA-N 0 3 297.359 -1.599 20 0 CAADHN CCCc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)[nH]n1 ZINC001445230593 891619809 /nfs/dbraw/zinc/61/98/09/891619809.db2.gz XIVMQNSXOLQPDY-WPRPVWTQSA-N 0 3 297.359 -1.084 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1n[nH]cc1F ZINC001445241957 891619833 /nfs/dbraw/zinc/61/98/33/891619833.db2.gz SZORATRQSACLAQ-APPZFPTMSA-N 0 3 299.306 -1.492 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1c[nH]cn1)C(N)=O ZINC001445240276 891619934 /nfs/dbraw/zinc/61/99/34/891619934.db2.gz AUCNMUAJUMTVST-NXEZZACHSA-N 0 3 283.332 -1.717 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1conc1C ZINC001445221218 891619985 /nfs/dbraw/zinc/61/99/85/891619985.db2.gz BMFUEBXCLTZQPW-MRVPVSSYSA-N 0 3 270.289 -1.591 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)N(C)C ZINC001445222455 891620108 /nfs/dbraw/zinc/62/01/08/891620108.db2.gz WETBZSACOYMQOX-KKJSVHSVSA-N 0 3 299.371 -1.578 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001445240946 891620167 /nfs/dbraw/zinc/62/01/67/891620167.db2.gz QNMRBMPAPGVKCF-MWLCHTKSSA-N 0 3 297.359 -1.457 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1n[nH]cc1F ZINC001445242114 891620314 /nfs/dbraw/zinc/62/03/14/891620314.db2.gz SZORATRQSACLAQ-IONNQARKSA-N 0 3 299.306 -1.492 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001445220718 891620358 /nfs/dbraw/zinc/62/03/58/891620358.db2.gz QIERKODXBFSWHD-NKWVEPMBSA-N 0 3 285.308 -2.975 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccnnc1 ZINC001445235584 891620398 /nfs/dbraw/zinc/62/03/98/891620398.db2.gz AZBJXJGWTGTXKU-PSASIEDQSA-N 0 3 281.316 -1.709 20 0 CAADHN CCn1nc(C)cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001445241504 891620516 /nfs/dbraw/zinc/62/05/16/891620516.db2.gz JGHVXXGLKRIZIH-SECBINFHSA-N 0 3 283.332 -1.623 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1c[nH]cn1)C(N)=O ZINC001445240302 891620601 /nfs/dbraw/zinc/62/06/01/891620601.db2.gz AUCNMUAJUMTVST-VHSXEESVSA-N 0 3 283.332 -1.717 20 0 CAADHN CCCc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)[nH]n1 ZINC001445230588 891620661 /nfs/dbraw/zinc/62/06/61/891620661.db2.gz XIVMQNSXOLQPDY-WCBMZHEXSA-N 0 3 297.359 -1.084 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1conc1C1CC1 ZINC001445237605 891620990 /nfs/dbraw/zinc/62/09/90/891620990.db2.gz OSQILRIVCXZIKA-SECBINFHSA-N 0 3 296.327 -1.022 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001445238875 891621116 /nfs/dbraw/zinc/62/11/16/891621116.db2.gz MCUQDZKDWFMPAQ-GXSJLCMTSA-N 0 3 297.359 -1.599 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)N(C)C ZINC001445222443 891621417 /nfs/dbraw/zinc/62/14/17/891621417.db2.gz WETBZSACOYMQOX-JCIQBVFBSA-N 0 3 299.371 -1.578 20 0 CAADHN CCCc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)[nH]n1 ZINC001445230581 891621531 /nfs/dbraw/zinc/62/15/31/891621531.db2.gz XIVMQNSXOLQPDY-PSASIEDQSA-N 0 3 297.359 -1.084 20 0 CAADHN COc1cccnc1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001445235840 891621900 /nfs/dbraw/zinc/62/19/00/891621900.db2.gz QLMVPOJOYSFXCD-VIFPVBQESA-N 0 3 296.327 -1.815 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)N(C)C ZINC001445222457 891621960 /nfs/dbraw/zinc/62/19/60/891621960.db2.gz WETBZSACOYMQOX-LVEVGFFFSA-N 0 3 299.371 -1.578 20 0 CAADHN CCn1nc(C)cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001445241513 891622051 /nfs/dbraw/zinc/62/20/51/891622051.db2.gz JGHVXXGLKRIZIH-VIFPVBQESA-N 0 3 283.332 -1.623 20 0 CAADHN Cc1nc(CC(=O)NC[C@H](O)CNCC(N)=O)cs1 ZINC001445272474 891623031 /nfs/dbraw/zinc/62/30/31/891623031.db2.gz OVPASSYTSNBRLA-SECBINFHSA-N 0 3 286.357 -1.454 20 0 CAADHN Cc1nc(CC(=O)NC[C@@H](O)CNCC(N)=O)cs1 ZINC001445272484 891623200 /nfs/dbraw/zinc/62/32/00/891623200.db2.gz OVPASSYTSNBRLA-VIFPVBQESA-N 0 3 286.357 -1.454 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccc(=O)[nH]c1 ZINC001445274367 891623446 /nfs/dbraw/zinc/62/34/46/891623446.db2.gz FJINJEZJMBNCJY-NXEZZACHSA-N 0 3 294.311 -1.644 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CNCC(N)=O)c(C)n1 ZINC001445263766 891623949 /nfs/dbraw/zinc/62/39/49/891623949.db2.gz XHLPPXWBGNNBDK-VIFPVBQESA-N 0 3 283.332 -1.623 20 0 CAADHN CCc1ncncc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001445266359 891624262 /nfs/dbraw/zinc/62/42/62/891624262.db2.gz BTTYEAZKIOMJKV-VIFPVBQESA-N 0 3 295.343 -1.535 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccnc(C2CC2)n1 ZINC001445258336 891624750 /nfs/dbraw/zinc/62/47/50/891624750.db2.gz QYURCMLLYSDTMD-VIFPVBQESA-N 0 3 293.327 -1.480 20 0 CAADHN Cn1ccnc1CNC[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001445256207 891624866 /nfs/dbraw/zinc/62/48/66/891624866.db2.gz QAEQLACXAZBKKH-MRVPVSSYSA-N 0 3 279.304 -1.581 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1[nH]cnc1C)C(N)=O ZINC001445261351 891625002 /nfs/dbraw/zinc/62/50/02/891625002.db2.gz ZATMVUGLCWNNPS-ZJUUUORDSA-N 0 3 297.359 -1.409 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ncccc1OC ZINC001445254123 891625149 /nfs/dbraw/zinc/62/51/49/891625149.db2.gz IRCHQWFGARNMRY-VIFPVBQESA-N 0 3 296.327 -1.484 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)n1 ZINC001445272103 891625551 /nfs/dbraw/zinc/62/55/51/891625551.db2.gz ONKUWNMMICGBRB-JTQLQIEISA-N 0 3 295.343 -1.621 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnon1)C(=O)NC1CC1 ZINC001445245882 891625865 /nfs/dbraw/zinc/62/58/65/891625865.db2.gz CTDQXNALUXLVGL-APPZFPTMSA-N 0 3 297.315 -1.583 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001445265771 891625956 /nfs/dbraw/zinc/62/59/56/891625956.db2.gz ZFTITUHJSUKAMX-UWVGGRQHSA-N 0 3 281.316 -2.093 20 0 CAADHN Cc1conc1CNC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001445259175 891626319 /nfs/dbraw/zinc/62/63/19/891626319.db2.gz UDPNNNNYPGSNSG-MRVPVSSYSA-N 0 3 280.288 -1.018 20 0 CAADHN Cc1conc1CNC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001445259175 891626326 /nfs/dbraw/zinc/62/63/26/891626326.db2.gz UDPNNNNYPGSNSG-MRVPVSSYSA-N 0 3 280.288 -1.018 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H](C)NC(N)=O ZINC001445316826 891627883 /nfs/dbraw/zinc/62/78/83/891627883.db2.gz TUXTUCFGHQZXBN-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001445315447 891628102 /nfs/dbraw/zinc/62/81/02/891628102.db2.gz WKWHXDIOKMVUJM-KOLCDFICSA-N 0 3 297.359 -1.664 20 0 CAADHN C[C@H](CNCc1cnn(C)c1)NC(=O)Cn1cnnn1 ZINC001445329619 891628124 /nfs/dbraw/zinc/62/81/24/891628124.db2.gz DEENOEHJNQJMBG-SECBINFHSA-N 0 3 278.320 -1.299 20 0 CAADHN COc1c(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cnn1C ZINC001445286986 891628422 /nfs/dbraw/zinc/62/84/22/891628422.db2.gz ZWFXWXIYFPUIKX-SFYZADRCSA-N 0 3 299.331 -2.017 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001445315444 891628547 /nfs/dbraw/zinc/62/85/47/891628547.db2.gz WKWHXDIOKMVUJM-GXSJLCMTSA-N 0 3 297.359 -1.664 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccc(=O)[nH]c1 ZINC001445274370 891628961 /nfs/dbraw/zinc/62/89/61/891628961.db2.gz FJINJEZJMBNCJY-ZJUUUORDSA-N 0 3 294.311 -1.644 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)nn1C ZINC001445279648 891629033 /nfs/dbraw/zinc/62/90/33/891629033.db2.gz OTLJWWCRSARUNK-WPRPVWTQSA-N 0 3 297.359 -1.463 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001445305899 891629088 /nfs/dbraw/zinc/62/90/88/891629088.db2.gz LAQDDTBMEXIFON-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)CNC(=O)NC ZINC001445303353 891629172 /nfs/dbraw/zinc/62/91/72/891629172.db2.gz OLTDHQQBRUWHHH-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)nn1C ZINC001445279645 891629194 /nfs/dbraw/zinc/62/91/94/891629194.db2.gz OTLJWWCRSARUNK-WCBMZHEXSA-N 0 3 297.359 -1.463 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H](C)NC(C)=O ZINC001445298088 891629213 /nfs/dbraw/zinc/62/92/13/891629213.db2.gz HPXZVKRUBJNGLK-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001445305905 891629285 /nfs/dbraw/zinc/62/92/85/891629285.db2.gz LAQDDTBMEXIFON-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN Cn1nc2c(c1C(=O)NC[C@@H](O)CNCC(N)=O)CCC2 ZINC001445279569 891629321 /nfs/dbraw/zinc/62/93/21/891629321.db2.gz RJLFDXCCHTVMHV-QMMMGPOBSA-N 0 3 295.343 -1.926 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001445306891 891629546 /nfs/dbraw/zinc/62/95/46/891629546.db2.gz HKFMOXGJYONUGH-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN Cc1ccc(CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001445275092 891629701 /nfs/dbraw/zinc/62/97/01/891629701.db2.gz RWXOVQMLAKVFEH-CMPLNLGQSA-N 0 3 294.355 -1.127 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CN1CCCC1=O ZINC001445333335 891629746 /nfs/dbraw/zinc/62/97/46/891629746.db2.gz TZDLXYGWORKMER-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001445274905 891629814 /nfs/dbraw/zinc/62/98/14/891629814.db2.gz BPLQKEORUPAJQP-MRVPVSSYSA-N 0 3 284.320 -2.228 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)Cc1nnc(C)[nH]1 ZINC001445315503 891629828 /nfs/dbraw/zinc/62/98/28/891629828.db2.gz REWNMMDEEYQVSA-SNVBAGLBSA-N 0 3 294.359 -1.018 20 0 CAADHN CCc1c[nH]c(=O)c(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001445283003 891629855 /nfs/dbraw/zinc/62/98/55/891629855.db2.gz YZPCPSVEWCCPJT-SECBINFHSA-N 0 3 296.327 -1.485 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001445354273 891631222 /nfs/dbraw/zinc/63/12/22/891631222.db2.gz WPOZNSUMPOEGDS-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)Cn1cccn1 ZINC001445346569 891631482 /nfs/dbraw/zinc/63/14/82/891631482.db2.gz DHYUNVIGRQKRJM-SECBINFHSA-N 0 3 293.331 -1.401 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001445370553 891631552 /nfs/dbraw/zinc/63/15/52/891631552.db2.gz ITGPCVAHKFHSBO-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1cc(=O)n(C)cn1 ZINC001445387542 891631754 /nfs/dbraw/zinc/63/17/54/891631754.db2.gz WRWFCJLIQYLSHB-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001445385748 891632145 /nfs/dbraw/zinc/63/21/45/891632145.db2.gz LWRBWRUHAPNPKF-HTQZYQBOSA-N 0 3 281.316 -1.638 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccn(CCOC)n1 ZINC001445409149 891632214 /nfs/dbraw/zinc/63/22/14/891632214.db2.gz NDZCRSXRJMQBSO-SNVBAGLBSA-N 0 3 297.359 -1.017 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001445343604 891632296 /nfs/dbraw/zinc/63/22/96/891632296.db2.gz IVDBABMGOPAUSC-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1cc2n(n1)CCO2 ZINC001445389301 891632347 /nfs/dbraw/zinc/63/23/47/891632347.db2.gz LPXOLGSTTJJLML-BDAKNGLRSA-N 0 3 293.327 -1.128 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CN[C@@H](C)C(N)=O)C1 ZINC001445358658 891632410 /nfs/dbraw/zinc/63/24/10/891632410.db2.gz BKAHSZHGOZJFHH-SFYZADRCSA-N 0 3 270.333 -1.567 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1COCCO1 ZINC001445342413 891632587 /nfs/dbraw/zinc/63/25/87/891632587.db2.gz DLYSEKWLZWKHOT-BDAKNGLRSA-N 0 3 299.331 -1.882 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)COCC1CC1 ZINC001445352248 891632881 /nfs/dbraw/zinc/63/28/81/891632881.db2.gz TUJHQRLFGGRYBY-MRVPVSSYSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001445354270 891632969 /nfs/dbraw/zinc/63/29/69/891632969.db2.gz WPOZNSUMPOEGDS-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cnc2nccn2c1 ZINC001445408316 891633466 /nfs/dbraw/zinc/63/34/66/891633466.db2.gz IIXULLQFVWUJKU-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001445365441 891633585 /nfs/dbraw/zinc/63/35/85/891633585.db2.gz RRJVKZCJFVHCDR-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)[C@H]1CCC(=O)N1 ZINC001445354124 891633977 /nfs/dbraw/zinc/63/39/77/891633977.db2.gz JVAANSSHKCZPSX-OPRDCNLKSA-N 0 3 284.360 -1.164 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC1(F)F ZINC001445369155 891634017 /nfs/dbraw/zinc/63/40/17/891634017.db2.gz GMMXHPLXHDTBII-RITPCOANSA-N 0 3 278.259 -1.069 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CNC(=O)N1CCCC1 ZINC001445359291 891634205 /nfs/dbraw/zinc/63/42/05/891634205.db2.gz GNJNACLLZALURJ-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCCNC1=O ZINC001445406806 891634438 /nfs/dbraw/zinc/63/44/38/891634438.db2.gz WAJSMPOPJWFKNP-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001445421583 891635905 /nfs/dbraw/zinc/63/59/05/891635905.db2.gz FIGBYYQCFYDVDV-MRVPVSSYSA-N 0 3 283.336 -1.604 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1ccnc2c1nnn2C ZINC001445439232 891636053 /nfs/dbraw/zinc/63/60/53/891636053.db2.gz WHRZZCLRDFBWJB-SSDOTTSWSA-N 0 3 291.315 -1.444 20 0 CAADHN CCN(CC)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001445434045 891636502 /nfs/dbraw/zinc/63/65/02/891636502.db2.gz DLULDXNCABYKEB-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1O ZINC001445480082 891636603 /nfs/dbraw/zinc/63/66/03/891636603.db2.gz LQLFWWOCISQJAV-IJLUTSLNSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@]1(C)CCCS1(=O)=O ZINC001445459832 891636730 /nfs/dbraw/zinc/63/67/30/891636730.db2.gz XJRIQGCXCNMQQG-KCJUWKMLSA-N 0 3 291.373 -1.467 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001445459836 891636864 /nfs/dbraw/zinc/63/68/64/891636864.db2.gz XJRIQGCXCNMQQG-LDYMZIIASA-N 0 3 291.373 -1.467 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1nc2ncccn2n1 ZINC001445448978 891637139 /nfs/dbraw/zinc/63/71/39/891637139.db2.gz GJVNKXAJLCQWLH-SSDOTTSWSA-N 0 3 277.288 -1.683 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)Cn1ccccc1=O ZINC001445491631 891637265 /nfs/dbraw/zinc/63/72/65/891637265.db2.gz FCRRIKHJJSFDJQ-SNVBAGLBSA-N 0 3 280.328 -1.311 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)CCn1cnnn1 ZINC001445453951 891637298 /nfs/dbraw/zinc/63/72/98/891637298.db2.gz LGTOLHGOXNXGCG-NXEZZACHSA-N 0 3 295.347 -1.564 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001445428562 891637504 /nfs/dbraw/zinc/63/75/04/891637504.db2.gz XPYSTADCPSVICP-RULNRJAQSA-N 0 3 296.371 -1.020 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1O ZINC001445480086 891637908 /nfs/dbraw/zinc/63/79/08/891637908.db2.gz LQLFWWOCISQJAV-QJPTWQEYSA-N 0 3 299.371 -1.195 20 0 CAADHN COc1ncnc(OC)c1C(=O)N[C@H](C)CNCC(N)=O ZINC001445494722 891638605 /nfs/dbraw/zinc/63/86/05/891638605.db2.gz AMKRPHRJDAJYII-SSDOTTSWSA-N 0 3 297.315 -1.313 20 0 CAADHN CO[C@@H](C)C(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001445515895 891638652 /nfs/dbraw/zinc/63/86/52/891638652.db2.gz FQEUCCVUBVUKQC-YUMQZZPRSA-N 0 3 271.321 -1.262 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCN1C(C)=O ZINC001445496408 891638877 /nfs/dbraw/zinc/63/88/77/891638877.db2.gz GBVBEOMSBIPLAX-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)CNCC(=O)NC ZINC001445494765 891639037 /nfs/dbraw/zinc/63/90/37/891639037.db2.gz BPODULJXEFDLIM-MRVPVSSYSA-N 0 3 279.362 -1.739 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC ZINC001445501833 891639265 /nfs/dbraw/zinc/63/92/65/891639265.db2.gz KZMACLPLKSFFAH-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001445520130 891639514 /nfs/dbraw/zinc/63/95/14/891639514.db2.gz ZGHLQNRFPNWBRW-QMMMGPOBSA-N 0 3 286.332 -1.285 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)Cn1cncn1 ZINC001445493593 891639934 /nfs/dbraw/zinc/63/99/34/891639934.db2.gz FJHIGDHIFMOPDW-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001445500244 891640070 /nfs/dbraw/zinc/64/00/70/891640070.db2.gz IMYZADKOVBQAGN-RQJHMYQMSA-N 0 3 297.315 -1.932 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)Cc1cnn(C)c1 ZINC001445526507 891640180 /nfs/dbraw/zinc/64/01/80/891640180.db2.gz GXFKTXPABLAUOP-ONGXEEELSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CNC(=O)C1CC1 ZINC001445519595 891640248 /nfs/dbraw/zinc/64/02/48/891640248.db2.gz ZFMUKAHLKINWCU-WCBMZHEXSA-N 0 3 282.344 -1.505 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CS(C)(=O)=O)C(N)=O ZINC001445529335 891640360 /nfs/dbraw/zinc/64/03/60/891640360.db2.gz MJQWCZNPNGWBIS-JGVFFNPUSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001445497214 891640377 /nfs/dbraw/zinc/64/03/77/891640377.db2.gz CFNJNWVSNAPJFV-RQJHMYQMSA-N 0 3 278.334 -2.742 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCc1cn(C)nn1 ZINC001445496644 891640408 /nfs/dbraw/zinc/64/04/08/891640408.db2.gz IUWCCMJWTZKNJV-NXEZZACHSA-N 0 3 296.375 -1.024 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001445513020 891640767 /nfs/dbraw/zinc/64/07/67/891640767.db2.gz GIIXZMUETCBKSS-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CNC(=O)C1CC1 ZINC001445515463 891640434 /nfs/dbraw/zinc/64/04/34/891640434.db2.gz IHMNDLOEEBCFSP-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN COCCC(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001445507938 891640540 /nfs/dbraw/zinc/64/05/40/891640540.db2.gz SMWZPBCFUKXYMI-QMMMGPOBSA-N 0 3 271.321 -1.261 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001445512164 891640832 /nfs/dbraw/zinc/64/08/32/891640832.db2.gz MOGFRGXTVOQBJH-ZETCQYMHSA-N 0 3 284.320 -2.161 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001445570981 891641864 /nfs/dbraw/zinc/64/18/64/891641864.db2.gz KKJXUNWLGPATQX-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cc2n(n1)CCO2 ZINC001445557685 891641950 /nfs/dbraw/zinc/64/19/50/891641950.db2.gz LPXOLGSTTJJLML-DTWKUNHWSA-N 0 3 293.327 -1.128 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC ZINC001445550887 891642087 /nfs/dbraw/zinc/64/20/87/891642087.db2.gz MKEDCVVDTNZWTK-IUCAKERBSA-N 0 3 287.364 -1.466 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cc(OC)n(C)n1 ZINC001445581854 891642228 /nfs/dbraw/zinc/64/22/28/891642228.db2.gz HHWGOQMCMLPKFG-QMMMGPOBSA-N 0 3 283.332 -1.117 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CCc1ccon1 ZINC001445577974 891642396 /nfs/dbraw/zinc/64/23/96/891642396.db2.gz PDNXDVUKPZDULI-QMMMGPOBSA-N 0 3 297.315 -1.104 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001445554157 891642502 /nfs/dbraw/zinc/64/25/02/891642502.db2.gz WPOZNSUMPOEGDS-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN Cc1occc1C(=O)NCC(=O)N[C@@H](C)CNCC(N)=O ZINC001445533057 891642566 /nfs/dbraw/zinc/64/25/66/891642566.db2.gz AMWKCMOEYOTRPU-QMMMGPOBSA-N 0 3 296.327 -1.103 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CC1OCCCO1 ZINC001445548130 891642723 /nfs/dbraw/zinc/64/27/23/891642723.db2.gz ZMVIGPMXVDXSTK-VIFPVBQESA-N 0 3 273.333 -1.020 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cc1cnoc1)C(=O)NC(N)=O ZINC001445593155 891642828 /nfs/dbraw/zinc/64/28/28/891642828.db2.gz GVKYVCIVDZRIGU-JGVFFNPUSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)c1ncn(C)n1 ZINC001445548609 891642861 /nfs/dbraw/zinc/64/28/61/891642861.db2.gz FHBFSFRKVRBEOM-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1cnnn1C ZINC001445554816 891642892 /nfs/dbraw/zinc/64/28/92/891642892.db2.gz MJHDHUJGDYXFHN-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001445571698 891642950 /nfs/dbraw/zinc/64/29/50/891642950.db2.gz LWRBWRUHAPNPKF-JGVFFNPUSA-N 0 3 281.316 -1.638 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001445567930 891643004 /nfs/dbraw/zinc/64/30/04/891643004.db2.gz PLFXVWZMCYJHJY-DTWKUNHWSA-N 0 3 293.389 -1.350 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cn2c(n1)COCC2 ZINC001445578488 891643048 /nfs/dbraw/zinc/64/30/48/891643048.db2.gz XQQVZUPDQZNCFG-VIFPVBQESA-N 0 3 295.343 -1.133 20 0 CAADHN C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)[C@@H]1CCOC1 ZINC001445533816 891643078 /nfs/dbraw/zinc/64/30/78/891643078.db2.gz WJPYZNNOAOKZSM-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)[C@H]1CCOC1 ZINC001445533820 891643236 /nfs/dbraw/zinc/64/32/36/891643236.db2.gz WJPYZNNOAOKZSM-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CN[C@@H]2CCN(C)C2=O)C1 ZINC001445543366 891643259 /nfs/dbraw/zinc/64/32/59/891643259.db2.gz HEENOLOZHBFAPL-JOYOIKCWSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)Cn1ncnn1 ZINC001445547435 891643491 /nfs/dbraw/zinc/64/34/91/891643491.db2.gz LQPZSOAVQKMCRQ-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001445604490 891643522 /nfs/dbraw/zinc/64/35/22/891643522.db2.gz JEADHDURSQYLPL-YUMQZZPRSA-N 0 3 271.321 -2.150 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001445591179 891643670 /nfs/dbraw/zinc/64/36/70/891643670.db2.gz QBXRTQDQAUISBU-AXFHLTTASA-N 0 3 296.371 -1.020 20 0 CAADHN Cc1nc([C@@H](C)NC[C@H](C)NC(=O)Cn2ncnn2)n[nH]1 ZINC001445544206 891643827 /nfs/dbraw/zinc/64/38/27/891643827.db2.gz CIOIQRIXFKCPNI-JGVFFNPUSA-N 0 3 293.335 -1.045 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)C[C@H](C)NC(N)=O ZINC001445549838 891643864 /nfs/dbraw/zinc/64/38/64/891643864.db2.gz WGQBIRSXMRKURZ-IUCAKERBSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@H](CC(=O)N[C@@H](C)CNCC(=O)NC1CC1)NC(N)=O ZINC001445549832 891644218 /nfs/dbraw/zinc/64/42/18/891644218.db2.gz WGQBIRSXMRKURZ-BDAKNGLRSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001445591183 891644297 /nfs/dbraw/zinc/64/42/97/891644297.db2.gz QBXRTQDQAUISBU-DCAQKATOSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CNC(=O)N1 ZINC001445604487 891644469 /nfs/dbraw/zinc/64/44/69/891644469.db2.gz JEADHDURSQYLPL-JGVFFNPUSA-N 0 3 271.321 -2.150 20 0 CAADHN C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)Cn1ncnn1 ZINC001445547433 891644481 /nfs/dbraw/zinc/64/44/81/891644481.db2.gz LQPZSOAVQKMCRQ-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@@H]1O ZINC001445628196 891645483 /nfs/dbraw/zinc/64/54/83/891645483.db2.gz LQLFWWOCISQJAV-UTUOFQBUSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)CCn1cnnn1 ZINC001445623196 891646113 /nfs/dbraw/zinc/64/61/13/891646113.db2.gz LGTOLHGOXNXGCG-VHSXEESVSA-N 0 3 295.347 -1.564 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1O ZINC001445632850 891646769 /nfs/dbraw/zinc/64/67/69/891646769.db2.gz XZJQPPVGQDZCMM-NEPJUHHUSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)CCn1cnnn1 ZINC001445623187 891647166 /nfs/dbraw/zinc/64/71/66/891647166.db2.gz LGTOLHGOXNXGCG-UWVGGRQHSA-N 0 3 295.347 -1.564 20 0 CAADHN C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CNCC(N)=O ZINC001445652522 891650704 /nfs/dbraw/zinc/65/07/04/891650704.db2.gz CIOSKGQOCWWGFS-YUMQZZPRSA-N 0 3 279.362 -1.753 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)CCCC(N)=O ZINC001445669228 891650916 /nfs/dbraw/zinc/65/09/16/891650916.db2.gz UKFMYXCDWYHOTG-QMMMGPOBSA-N 0 3 298.347 -1.642 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001445669028 891651164 /nfs/dbraw/zinc/65/11/64/891651164.db2.gz RAJUYFRFIZMMDN-YIZRAAEISA-N 0 3 285.348 -1.502 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1nnc(N)n1 ZINC001445780704 891654565 /nfs/dbraw/zinc/65/45/65/891654565.db2.gz GGHROSRXDDLNTN-VXNVDRBHSA-N 0 3 265.321 -1.146 20 0 CAADHN CCC(=O)N[C@@H](CNCC(=O)N1CCNC(=O)C1)C1CC1 ZINC001445915858 891655623 /nfs/dbraw/zinc/65/56/23/891655623.db2.gz PRUVGXSHEBYHEN-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001445932420 891656285 /nfs/dbraw/zinc/65/62/85/891656285.db2.gz IGERIQKFSXOAAN-DTWKUNHWSA-N 0 3 284.316 -1.675 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001445940233 891656305 /nfs/dbraw/zinc/65/63/05/891656305.db2.gz UMGBUTSGFQEPCQ-UWVGGRQHSA-N 0 3 293.331 -1.954 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001445939884 891656314 /nfs/dbraw/zinc/65/63/14/891656314.db2.gz YZXOPBFPDRMKRI-VHSXEESVSA-N 0 3 298.343 -1.285 20 0 CAADHN CS(=O)(=O)CC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001445922853 891656361 /nfs/dbraw/zinc/65/63/61/891656361.db2.gz FYTRPRKOWZRKQW-QMMMGPOBSA-N 0 3 277.346 -1.999 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)Cn1cnnn1)C1CC1)C(N)=O ZINC001445934255 891656494 /nfs/dbraw/zinc/65/64/94/891656494.db2.gz MVJBZHJJSMAYSH-VXNVDRBHSA-N 0 3 281.320 -1.969 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001445939882 891656573 /nfs/dbraw/zinc/65/65/73/891656573.db2.gz YZXOPBFPDRMKRI-UWVGGRQHSA-N 0 3 298.343 -1.285 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)CNC(=O)NC)C1CC1 ZINC001445948957 891658107 /nfs/dbraw/zinc/65/81/07/891658107.db2.gz IPOKOWLEIUMLAJ-SNVBAGLBSA-N 0 3 299.375 -1.464 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H]1CCN1C[C@@H]1CCOC1 ZINC001446032045 891658859 /nfs/dbraw/zinc/65/88/59/891658859.db2.gz SUVDFQMERLXTAU-QWRGUYRKSA-N 0 3 280.332 -1.100 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)c1cn(C)nn1)C1CC1 ZINC001445944076 891659581 /nfs/dbraw/zinc/65/95/81/891659581.db2.gz VIUCMZPBHSNQSC-VIFPVBQESA-N 0 3 280.332 -1.341 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001445945938 891659698 /nfs/dbraw/zinc/65/96/98/891659698.db2.gz BLTRJSJVGRYVAQ-SECBINFHSA-N 0 3 289.357 -1.999 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)CCNC(N)=O)C1CC1)C(N)=O ZINC001445997746 891659765 /nfs/dbraw/zinc/65/97/65/891659765.db2.gz FVMBORZVJHRFPA-VXNVDRBHSA-N 0 3 285.348 -1.597 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001445944421 891659799 /nfs/dbraw/zinc/65/97/99/891659799.db2.gz ZTSWTESACANORG-UWVGGRQHSA-N 0 3 271.317 -1.629 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)CNC(=O)NC)C1CC1 ZINC001445948940 891659973 /nfs/dbraw/zinc/65/99/73/891659973.db2.gz IPOKOWLEIUMLAJ-JTQLQIEISA-N 0 3 299.375 -1.464 20 0 CAADHN CCN1CCO[C@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001445992275 891660028 /nfs/dbraw/zinc/66/00/28/891660028.db2.gz ZICZTLNVFGIEIQ-NEPJUHHUSA-N 0 3 298.387 -1.323 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@]1(C)CCC(=O)N1)C1CC1 ZINC001445980698 891660106 /nfs/dbraw/zinc/66/01/06/891660106.db2.gz NCQPDERTIJNLCB-HZMBPMFUSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)c1cn(C)nn1)C1CC1 ZINC001445944074 891660199 /nfs/dbraw/zinc/66/01/99/891660199.db2.gz VIUCMZPBHSNQSC-SECBINFHSA-N 0 3 280.332 -1.341 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001446048663 891661507 /nfs/dbraw/zinc/66/15/07/891661507.db2.gz UEWBFJFBOIKMOH-MNOVXSKESA-N 0 3 297.359 -1.147 20 0 CAADHN O=C(Cn1cncn1)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001446270345 891669402 /nfs/dbraw/zinc/66/94/02/891669402.db2.gz VOUXEYIUMIEVMF-JTQLQIEISA-N 0 3 292.343 -1.205 20 0 CAADHN NC(=O)NCCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001446275015 891669694 /nfs/dbraw/zinc/66/96/94/891669694.db2.gz USTDEXJSLJQVAL-VIFPVBQESA-N 0 3 297.359 -1.438 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CCN2CCOCC2)CC1 ZINC001446259252 891669887 /nfs/dbraw/zinc/66/98/87/891669887.db2.gz FGPYKQIQRAUQNI-UHFFFAOYSA-N 0 3 298.387 -1.307 20 0 CAADHN CCN1CCO[C@H](C(=O)NCC2(NCC(=O)NC)CC2)C1 ZINC001446300434 891672522 /nfs/dbraw/zinc/67/25/22/891672522.db2.gz STXLMQUUBBUQAZ-NSHDSACASA-N 0 3 298.387 -1.309 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CCC(=O)NC1 ZINC001446435074 891675954 /nfs/dbraw/zinc/67/59/54/891675954.db2.gz OJFMDOXLPKQYDY-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001446438837 891677949 /nfs/dbraw/zinc/67/79/49/891677949.db2.gz WYQHBOWSNPHUCT-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN Cc1nnc(CC(=O)N2CCC[C@H]2CNCC(N)=O)[nH]1 ZINC001446439413 891678817 /nfs/dbraw/zinc/67/88/17/891678817.db2.gz HJWIMPAHGUVATO-VIFPVBQESA-N 0 3 280.332 -1.278 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)Cn1cncn1 ZINC001446458433 891679530 /nfs/dbraw/zinc/67/95/30/891679530.db2.gz VLFXWRNEMYWXIK-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC001446440730 891679561 /nfs/dbraw/zinc/67/95/61/891679561.db2.gz KXFHFUGHXSFCFB-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)CCn1cnnn1)C(N)=O ZINC001446436924 891679632 /nfs/dbraw/zinc/67/96/32/891679632.db2.gz CSPAIBKWHRJIEV-UWVGGRQHSA-N 0 3 295.347 -1.482 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001446453117 891680067 /nfs/dbraw/zinc/68/00/67/891680067.db2.gz GKDBJESDYGVTJY-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2cnon2)CCOCC1 ZINC001446718063 891682021 /nfs/dbraw/zinc/68/20/21/891682021.db2.gz YTCXCBISHUEMEA-UHFFFAOYSA-N 0 3 283.288 -1.577 20 0 CAADHN CCOCC(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001446688815 891682157 /nfs/dbraw/zinc/68/21/57/891682157.db2.gz HPTKHLGEWOKWBR-UHFFFAOYSA-N 0 3 273.333 -1.237 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@]1(C)CCN(C[C@H](C)O)C1 ZINC001446554045 891682472 /nfs/dbraw/zinc/68/24/72/891682472.db2.gz DGFRJCRKXVNVQS-ONGXEEELSA-N 0 3 293.389 -1.503 20 0 CAADHN Cn1cnc(C(=O)NCC2(NCC(N)=O)CCOCC2)n1 ZINC001446704320 891683311 /nfs/dbraw/zinc/68/33/11/891683311.db2.gz VYTXTFFDCXLLRN-UHFFFAOYSA-N 0 3 296.331 -1.831 20 0 CAADHN O=C(CCc1c[nH]cn1)NC[C@]1(O)CCN(CCO)C1 ZINC001446747491 891684795 /nfs/dbraw/zinc/68/47/95/891684795.db2.gz BYVUBDMXMWCZTF-CYBMUJFWSA-N 0 3 282.344 -1.112 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cc[nH]c(=O)c1 ZINC001446752993 891685382 /nfs/dbraw/zinc/68/53/82/891685382.db2.gz BWQPWAAKQFHJMD-CYBMUJFWSA-N 0 3 281.312 -1.054 20 0 CAADHN O=C(CCn1cccn1)NC[C@]1(O)CCN(CCO)C1 ZINC001446746459 891685397 /nfs/dbraw/zinc/68/53/97/891685397.db2.gz ZETQEMITLMUPAF-CYBMUJFWSA-N 0 3 282.344 -1.182 20 0 CAADHN O=C(CCc1c[nH]cn1)NC[C@@]1(O)CCN(CCO)C1 ZINC001446747492 891685512 /nfs/dbraw/zinc/68/55/12/891685512.db2.gz BYVUBDMXMWCZTF-ZDUSSCGKSA-N 0 3 282.344 -1.112 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001446764251 891685830 /nfs/dbraw/zinc/68/58/30/891685830.db2.gz SWYIZJNZCADALD-GWCFXTLKSA-N 0 3 285.344 -1.942 20 0 CAADHN COc1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)nn1C ZINC001446765934 891685948 /nfs/dbraw/zinc/68/59/48/891685948.db2.gz YQOICQUVHVWFRN-ZDUSSCGKSA-N 0 3 298.343 -1.412 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NC[C@]1(O)CCN(CCO)C1 ZINC001446764259 891687087 /nfs/dbraw/zinc/68/70/87/891687087.db2.gz SWYIZJNZCADALD-ZWNOBZJWSA-N 0 3 285.344 -1.942 20 0 CAADHN COc1cnc(C(=O)NC[C@@]2(O)CCN(CCO)C2)nc1 ZINC001446762120 891687127 /nfs/dbraw/zinc/68/71/27/891687127.db2.gz RDOBLIDDMLMMNB-ZDUSSCGKSA-N 0 3 296.327 -1.356 20 0 CAADHN Cn1ccnc1CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001446758875 891687370 /nfs/dbraw/zinc/68/73/70/891687370.db2.gz PLZMSNJJEDSORP-CQSZACIVSA-N 0 3 296.371 -1.102 20 0 CAADHN COCC1(C(=O)NC[C@]2(O)CCN(CCO)C2)CC1 ZINC001446760195 891687612 /nfs/dbraw/zinc/68/76/12/891687612.db2.gz ROZKJENFUJJUKM-CYBMUJFWSA-N 0 3 272.345 -1.042 20 0 CAADHN O=C(CCN1CCCC1=O)NC[C@]1(O)CCN(CCO)C1 ZINC001446793282 891690180 /nfs/dbraw/zinc/69/01/80/891690180.db2.gz MTUAEGIYYOOHCM-CQSZACIVSA-N 0 3 299.371 -1.456 20 0 CAADHN O=C(CCN1CCCC1=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001446793260 891690244 /nfs/dbraw/zinc/69/02/44/891690244.db2.gz MTUAEGIYYOOHCM-AWEZNQCLSA-N 0 3 299.371 -1.456 20 0 CAADHN COc1ncc(C(=O)NC[C@]2(O)CCN(CCO)C2)cn1 ZINC001446793101 891690357 /nfs/dbraw/zinc/69/03/57/891690357.db2.gz BKIIJWQIWLSCPS-CYBMUJFWSA-N 0 3 296.327 -1.356 20 0 CAADHN O=C(CCc1cn[nH]c1)NC[C@]1(O)CCN(CCO)C1 ZINC001446783736 891690477 /nfs/dbraw/zinc/69/04/77/891690477.db2.gz PSWBOACPJWSWLR-CYBMUJFWSA-N 0 3 282.344 -1.112 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H](COC)OC)C1 ZINC001446784538 891691543 /nfs/dbraw/zinc/69/15/43/891691543.db2.gz CRPRVOYPDXNVTK-AAEUAGOBSA-N 0 3 290.360 -1.153 20 0 CAADHN Cn1cncc1CC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001446808618 891693000 /nfs/dbraw/zinc/69/30/00/891693000.db2.gz UXXRMKCJFXYCMJ-ZDUSSCGKSA-N 0 3 282.344 -1.492 20 0 CAADHN Cc1nonc1C(=O)NC[C@]1(O)CCN(C[C@H](C)O)C1 ZINC001446816613 891694210 /nfs/dbraw/zinc/69/42/10/891694210.db2.gz MINOCNZFVRKYPB-QPUJVOFHSA-N 0 3 284.316 -1.075 20 0 CAADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NOCC(N)=O)cn1 ZINC001446959914 891707576 /nfs/dbraw/zinc/70/75/76/891707576.db2.gz ZWQSDKLCCJZFCL-WDEREUQCSA-N 0 3 295.343 -1.012 20 0 CAADHN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)CCO ZINC001448030943 891747455 /nfs/dbraw/zinc/74/74/55/891747455.db2.gz DKHCONYMTYSMEW-SECBINFHSA-N 0 3 281.378 -1.693 20 0 CAADHN O=C(c1ccncn1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001447046794 891709361 /nfs/dbraw/zinc/70/93/61/891709361.db2.gz AWFKOFWWHCIPCT-SNVBAGLBSA-N 0 3 293.327 -1.611 20 0 CAADHN O=C(c1ccon1)N(CCO)CCN[C@H]1CCNC1=O ZINC001447052447 891709419 /nfs/dbraw/zinc/70/94/19/891709419.db2.gz KSVWZIMJJOSDDB-VIFPVBQESA-N 0 3 282.300 -1.413 20 0 CAADHN CCn1cnc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)c1 ZINC001447050444 891709619 /nfs/dbraw/zinc/70/96/19/891709619.db2.gz HAMZAXSBCKCTOT-JTQLQIEISA-N 0 3 297.359 -1.199 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@@]1(C)CCOC1)C(N)=O ZINC001447046851 891709804 /nfs/dbraw/zinc/70/98/04/891709804.db2.gz BKURUPHGXXLMJV-GWCFXTLKSA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1ccn(C)n1 ZINC001447051833 891709885 /nfs/dbraw/zinc/70/98/85/891709885.db2.gz HTPCWRQTTUBUJK-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cocn1 ZINC001447051128 891711537 /nfs/dbraw/zinc/71/15/37/891711537.db2.gz JPAPREGSRZPYLR-VIFPVBQESA-N 0 3 284.316 -1.167 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O ZINC001448633419 891766230 /nfs/dbraw/zinc/76/62/30/891766230.db2.gz DELZJLBHNZYGMV-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cc1cnn(C)c1)C(N)=O ZINC001447058938 891712559 /nfs/dbraw/zinc/71/25/59/891712559.db2.gz VJCDKIANOLBNGC-SNVBAGLBSA-N 0 3 297.359 -1.753 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)Cn1cccn1 ZINC001447059534 891712938 /nfs/dbraw/zinc/71/29/38/891712938.db2.gz WDCHOJKUHTVVDA-LLVKDONJSA-N 0 3 297.359 -1.572 20 0 CAADHN Cc1nc[nH]c1CC(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001447061925 891713214 /nfs/dbraw/zinc/71/32/14/891713214.db2.gz WOHIFGFNSJNVLR-JTQLQIEISA-N 0 3 297.359 -1.455 20 0 CAADHN Cn1cnc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)c1 ZINC001447053116 891713654 /nfs/dbraw/zinc/71/36/54/891713654.db2.gz FJUACKQEJPTGSE-SNVBAGLBSA-N 0 3 295.343 -1.667 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H](C)n1cccn1)C(N)=O ZINC001447059574 891714241 /nfs/dbraw/zinc/71/42/41/891714241.db2.gz WKSZWOCZTQLYOL-MNOVXSKESA-N 0 3 297.359 -1.272 20 0 CAADHN Cn1cnc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)c1 ZINC001447053112 891714409 /nfs/dbraw/zinc/71/44/09/891714409.db2.gz FJUACKQEJPTGSE-JTQLQIEISA-N 0 3 295.343 -1.667 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cc1cc[nH]n1)C(N)=O ZINC001447055758 891714524 /nfs/dbraw/zinc/71/45/24/891714524.db2.gz RAMJKRUUIPTMSL-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN O=C(c1cn[nH]n1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001447056691 891714663 /nfs/dbraw/zinc/71/46/63/891714663.db2.gz CAONYAXHNBZLIP-MRVPVSSYSA-N 0 3 282.304 -2.283 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C1=COCCO1)C(N)=O ZINC001447061047 891714708 /nfs/dbraw/zinc/71/47/08/891714708.db2.gz XSLNDKWORWFLCK-SECBINFHSA-N 0 3 287.316 -1.841 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cc[nH]n1)C(N)=O ZINC001447053693 891714749 /nfs/dbraw/zinc/71/47/49/891714749.db2.gz NCKSKQLICRRGJH-VIFPVBQESA-N 0 3 283.332 -1.302 20 0 CAADHN Cc1ncncc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001447060084 891714886 /nfs/dbraw/zinc/71/48/86/891714886.db2.gz XDQKUKMTUAZCJP-SNVBAGLBSA-N 0 3 295.343 -1.317 20 0 CAADHN Cc1ncc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)n1C ZINC001447064151 891714899 /nfs/dbraw/zinc/71/48/99/891714899.db2.gz MPZJVOLWZLKGFH-VIFPVBQESA-N 0 3 297.359 -1.374 20 0 CAADHN CC[C@@H](OC)C(=O)N1CCO[C@H](CNCC(=O)NC)C1 ZINC001447256132 891716864 /nfs/dbraw/zinc/71/68/64/891716864.db2.gz CJQXQFMGBOJZOL-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCCO2)CCO1 ZINC001447262807 891716894 /nfs/dbraw/zinc/71/68/94/891716894.db2.gz IEGPYOKLSNLYNN-MNOVXSKESA-N 0 3 285.344 -1.142 20 0 CAADHN COCC(=O)N1CCO[C@H](CNCC(=O)NC(C)C)C1 ZINC001447265475 891717448 /nfs/dbraw/zinc/71/74/48/891717448.db2.gz LZFSTYZGXKZGJR-LLVKDONJSA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCCO2)CCO1 ZINC001447262804 891717803 /nfs/dbraw/zinc/71/78/03/891717803.db2.gz IEGPYOKLSNLYNN-GHMZBOCLSA-N 0 3 285.344 -1.142 20 0 CAADHN Cn1cc(C(=O)NCC2(NCC(N)=O)CCC2)[nH]c1=O ZINC001447230728 891718001 /nfs/dbraw/zinc/71/80/01/891718001.db2.gz QELNHXDOJVKHNO-UHFFFAOYSA-N 0 3 281.316 -1.147 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCCCO2)CCO1 ZINC001447262809 891718316 /nfs/dbraw/zinc/71/83/16/891718316.db2.gz IEGPYOKLSNLYNN-QWRGUYRKSA-N 0 3 285.344 -1.142 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001447286778 891720238 /nfs/dbraw/zinc/72/02/38/891720238.db2.gz UCIVNJMEURVXQD-NSHDSACASA-N 0 3 283.328 -1.365 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001447267701 891720563 /nfs/dbraw/zinc/72/05/63/891720563.db2.gz LFDIJOBEVKDYDO-SECBINFHSA-N 0 3 272.305 -2.575 20 0 CAADHN Cn1cncc1CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001447316760 891720601 /nfs/dbraw/zinc/72/06/01/891720601.db2.gz YBAIDNDIZIFCBO-LLVKDONJSA-N 0 3 295.343 -1.735 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)Cn2cncn2)CCO1)C(N)=O ZINC001447296540 891720796 /nfs/dbraw/zinc/72/07/96/891720796.db2.gz CCFHJFPWLYCPKZ-NXEZZACHSA-N 0 3 296.331 -2.031 20 0 CAADHN COCC(=O)N1CCO[C@@H](CNCC(=O)NC(C)C)C1 ZINC001447265478 891720853 /nfs/dbraw/zinc/72/08/53/891720853.db2.gz LZFSTYZGXKZGJR-NSHDSACASA-N 0 3 287.360 -1.026 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)no1 ZINC001447269325 891720965 /nfs/dbraw/zinc/72/09/65/891720965.db2.gz MHVVSMMWQHZNIO-SECBINFHSA-N 0 3 282.300 -1.101 20 0 CAADHN Cc1c(C(=O)N2CCO[C@H](CNCC(N)=O)C2)cnn1C ZINC001447267602 891721324 /nfs/dbraw/zinc/72/13/24/891721324.db2.gz LBUVRNIWRXVCOX-SNVBAGLBSA-N 0 3 295.343 -1.356 20 0 CAADHN CCn1ncc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)n1 ZINC001447285274 891721339 /nfs/dbraw/zinc/72/13/39/891721339.db2.gz QNVFNTCJSNZUNK-VIFPVBQESA-N 0 3 296.331 -1.786 20 0 CAADHN CCn1ncc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)n1 ZINC001447285273 891721442 /nfs/dbraw/zinc/72/14/42/891721442.db2.gz QNVFNTCJSNZUNK-SECBINFHSA-N 0 3 296.331 -1.786 20 0 CAADHN CCn1ccnc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001447279499 891721671 /nfs/dbraw/zinc/72/16/71/891721671.db2.gz FELHSTCMHRUGHP-SNVBAGLBSA-N 0 3 295.343 -1.181 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001447286775 891721810 /nfs/dbraw/zinc/72/18/10/891721810.db2.gz UCIVNJMEURVXQD-LLVKDONJSA-N 0 3 283.328 -1.365 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001447294471 891722260 /nfs/dbraw/zinc/72/22/60/891722260.db2.gz AHKCKIYIAUGVDE-VIFPVBQESA-N 0 3 297.315 -1.412 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCCO2)CCO1 ZINC001447273257 891722424 /nfs/dbraw/zinc/72/24/24/891722424.db2.gz UKDKRRGCUOJUDW-UWVGGRQHSA-N 0 3 271.317 -1.532 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ccccn2)CCO1 ZINC001447270733 891722444 /nfs/dbraw/zinc/72/24/44/891722444.db2.gz OQTDSDJSOSRPLE-JTQLQIEISA-N 0 3 278.312 -1.003 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)C1 ZINC001447358645 891726332 /nfs/dbraw/zinc/72/63/32/891726332.db2.gz DFOILSTUWOWXKD-NQBHXWOUSA-N 0 3 295.343 -1.230 20 0 CAADHN Cn1cc(C(=O)NC2(CNCC(N)=O)CCOCC2)nn1 ZINC001447472423 891727484 /nfs/dbraw/zinc/72/74/84/891727484.db2.gz XXGGELDTAAGZJL-UHFFFAOYSA-N 0 3 296.331 -1.831 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2n[nH]cc2F)CCOCC1 ZINC001447494590 891727707 /nfs/dbraw/zinc/72/77/07/891727707.db2.gz WMEMJTNDQWBHRG-UHFFFAOYSA-N 0 3 299.306 -1.097 20 0 CAADHN C[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)c2cn[n-]n2)C1 ZINC001447454570 891728217 /nfs/dbraw/zinc/72/82/17/891728217.db2.gz AWAKGKJKEYAAAI-CABZTGNLSA-N 0 3 283.332 -1.258 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)COC)C[C@@H]1C ZINC001447518029 891730550 /nfs/dbraw/zinc/73/05/50/891730550.db2.gz GODUOTQABSADLR-DTWKUNHWSA-N 0 3 286.332 -1.475 20 0 CAADHN C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1NCC(N)=O ZINC001447567178 891730640 /nfs/dbraw/zinc/73/06/40/891730640.db2.gz NFTSUVAUUMWRDZ-YUMQZZPRSA-N 0 3 271.321 -2.033 20 0 CAADHN C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1NCC(N)=O ZINC001447567174 891731327 /nfs/dbraw/zinc/73/13/27/891731327.db2.gz NFTSUVAUUMWRDZ-JGVFFNPUSA-N 0 3 271.321 -2.033 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001447534232 891731279 /nfs/dbraw/zinc/73/12/79/891731279.db2.gz DFBNWUAXIBXPOW-WCBMZHEXSA-N 0 3 284.360 -1.177 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001447548438 891731301 /nfs/dbraw/zinc/73/13/01/891731301.db2.gz PGKXQAIOGHVIPK-VHSXEESVSA-N 0 3 295.347 -1.754 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)[C@@H](C)OC)CC1 ZINC001447583387 891732056 /nfs/dbraw/zinc/73/20/56/891732056.db2.gz FVUPPYDDMYSFGJ-SNVBAGLBSA-N 0 3 287.360 -1.290 20 0 CAADHN CCO[C@@H](C)C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001447592946 891732356 /nfs/dbraw/zinc/73/23/56/891732356.db2.gz XCCDRBQESQJRKS-JTQLQIEISA-N 0 3 287.360 -1.160 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C ZINC001447553238 891732399 /nfs/dbraw/zinc/73/23/99/891732399.db2.gz XKQBEXWNFAUOIW-NEPJUHHUSA-N 0 3 298.387 -1.499 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001447614524 891735456 /nfs/dbraw/zinc/73/54/56/891735456.db2.gz SIKIWIAEIZMSJJ-VIFPVBQESA-N 0 3 298.343 -2.307 20 0 CAADHN Cn1cc(CC(=O)NC2(CO)CCN(CCO)CC2)cn1 ZINC001447711698 891738722 /nfs/dbraw/zinc/73/87/22/891738722.db2.gz JXLFWMWVAGOIOD-UHFFFAOYSA-N 0 3 296.371 -1.102 20 0 CAADHN C[C@@H](NCC(=O)N1CCNC(=O)C1)[C@H](C)NC(=O)C1CC1 ZINC001447831060 891740399 /nfs/dbraw/zinc/74/03/99/891740399.db2.gz NHOHCRLHHMSMKB-ZJUUUORDSA-N 0 3 296.371 -1.162 20 0 CAADHN COCCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC(N)=O ZINC001447831184 891740424 /nfs/dbraw/zinc/74/04/24/891740424.db2.gz NTWBNKDRQFQQDZ-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@@H](NC(=O)C1CC1)[C@H](C)NCC(=O)N1CCNC(=O)C1 ZINC001447831057 891741224 /nfs/dbraw/zinc/74/12/24/891741224.db2.gz NHOHCRLHHMSMKB-VHSXEESVSA-N 0 3 296.371 -1.162 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)[C@@H](C)NCC(N)=O)C1 ZINC001447828517 891741345 /nfs/dbraw/zinc/74/13/45/891741345.db2.gz GTMRXTGYJWRFCP-HTQZYQBOSA-N 0 3 270.333 -1.567 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)NCC(N)=O)C1 ZINC001447828563 891741488 /nfs/dbraw/zinc/74/14/88/891741488.db2.gz GTMRXTGYJWRFCP-JGVFFNPUSA-N 0 3 270.333 -1.567 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1ncccn1 ZINC001447889766 891741554 /nfs/dbraw/zinc/74/15/54/891741554.db2.gz DIJNAYCCCZAQCJ-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CN1CCOCC1 ZINC001447856548 891741728 /nfs/dbraw/zinc/74/17/28/891741728.db2.gz QXCQTLPSNCOGSO-WDEREUQCSA-N 0 3 286.376 -1.453 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CN1CCOCC1 ZINC001447856546 891742270 /nfs/dbraw/zinc/74/22/70/891742270.db2.gz QXCQTLPSNCOGSO-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001447834757 891742320 /nfs/dbraw/zinc/74/23/20/891742320.db2.gz ADOIRADISLTVKG-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001447840596 891742605 /nfs/dbraw/zinc/74/26/05/891742605.db2.gz VUSHDLXFMSLJHZ-YUMQZZPRSA-N 0 3 279.362 -1.740 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001447895028 891743724 /nfs/dbraw/zinc/74/37/24/891743724.db2.gz ZDFMGCBGEXSMMX-YUMQZZPRSA-N 0 3 284.320 -2.450 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001447928559 891744071 /nfs/dbraw/zinc/74/40/71/891744071.db2.gz FNLRPEMXSNPUJQ-JGVFFNPUSA-N 0 3 295.343 -1.044 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001447928558 891744181 /nfs/dbraw/zinc/74/41/81/891744181.db2.gz FNLRPEMXSNPUJQ-HTQZYQBOSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001447905561 891744445 /nfs/dbraw/zinc/74/44/45/891744445.db2.gz JZUKRCCFHGTNPB-IUCAKERBSA-N 0 3 282.348 -1.284 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001447933344 891744575 /nfs/dbraw/zinc/74/45/75/891744575.db2.gz NSMJKAGMLPRGAI-DTWKUNHWSA-N 0 3 297.359 -1.434 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001447905575 891744602 /nfs/dbraw/zinc/74/46/02/891744602.db2.gz KAILSPCRKZUZPW-YUMQZZPRSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cccn(C)c1=O ZINC001447935850 891745183 /nfs/dbraw/zinc/74/51/83/891745183.db2.gz SXPVTFJYNJRYHQ-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001447895024 891745309 /nfs/dbraw/zinc/74/53/09/891745309.db2.gz ZDFMGCBGEXSMMX-SFYZADRCSA-N 0 3 284.320 -2.450 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001447905571 891745371 /nfs/dbraw/zinc/74/53/71/891745371.db2.gz KAILSPCRKZUZPW-SFYZADRCSA-N 0 3 295.343 -1.044 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001447926568 891745946 /nfs/dbraw/zinc/74/59/46/891745946.db2.gz BZWDHTINDBKQOQ-YUMQZZPRSA-N 0 3 294.377 -2.236 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001447905563 891745981 /nfs/dbraw/zinc/74/59/81/891745981.db2.gz JZUKRCCFHGTNPB-RKDXNWHRSA-N 0 3 282.348 -1.284 20 0 CAADHN CC[C@H](C(=O)NC1(CCO)CN(CC(N)=O)C1)N(C)C ZINC001448173148 891753018 /nfs/dbraw/zinc/75/30/18/891753018.db2.gz GTCHOAGSXTXIOM-SNVBAGLBSA-N 0 3 286.376 -1.635 20 0 CAADHN NC(=O)CNCC1(NC(=O)CCNC(N)=O)CCCCC1 ZINC001448232991 891757569 /nfs/dbraw/zinc/75/75/69/891757569.db2.gz FOOXIEUFFNYUCN-UHFFFAOYSA-N 0 3 299.375 -1.061 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001448479273 891763325 /nfs/dbraw/zinc/76/33/25/891763325.db2.gz ZEYHALODOSTZQB-BDAKNGLRSA-N 0 3 297.319 -2.636 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001448463882 891763543 /nfs/dbraw/zinc/76/35/43/891763543.db2.gz IJXBXQNIUOHHJJ-DTWKUNHWSA-N 0 3 281.316 -1.286 20 0 CAADHN CCOCC(=O)N1CCO[C@H]([C@@H](C)NCC(=O)NC)C1 ZINC001448465398 891764125 /nfs/dbraw/zinc/76/41/25/891764125.db2.gz HOQHKPSAYLBJOT-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN Cc1nonc1C(=O)N1CCO[C@H]([C@H](C)NCC(N)=O)C1 ZINC001448466270 891764307 /nfs/dbraw/zinc/76/43/07/891764307.db2.gz RZDNWJOCZLLBSV-CBAPKCEASA-N 0 3 297.315 -1.318 20 0 CAADHN Cc1nonc1C(=O)N1CCO[C@@H]([C@H](C)NCC(N)=O)C1 ZINC001448466273 891764772 /nfs/dbraw/zinc/76/47/72/891764772.db2.gz RZDNWJOCZLLBSV-IONNQARKSA-N 0 3 297.315 -1.318 20 0 CAADHN CCOCC(=O)N1CCO[C@@H]([C@H](C)NCC(=O)NC)C1 ZINC001448465400 891765198 /nfs/dbraw/zinc/76/51/98/891765198.db2.gz HOQHKPSAYLBJOT-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](NC[C@@H](C1CC1)N(C)C(=O)Cn1cncn1)C(N)=O ZINC001448613936 891766106 /nfs/dbraw/zinc/76/61/06/891766106.db2.gz FSQHPEFYZXRGDF-ONGXEEELSA-N 0 3 294.359 -1.022 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001448576923 891766813 /nfs/dbraw/zinc/76/68/13/891766813.db2.gz CKACQFCJWDAOFG-GZMMTYOYSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001448533662 891766848 /nfs/dbraw/zinc/76/68/48/891766848.db2.gz DIPXZNUOPUBXHW-UHFFFAOYSA-N 0 3 295.347 -1.508 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001448576931 891766910 /nfs/dbraw/zinc/76/69/10/891766910.db2.gz CKACQFCJWDAOFG-LDYMZIIASA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H](NC[C@H](C1CC1)N(C)C(=O)CCNC(N)=O)C(N)=O ZINC001448620526 891766943 /nfs/dbraw/zinc/76/69/43/891766943.db2.gz SYMYDJPSZQVQNP-WCBMZHEXSA-N 0 3 299.375 -1.255 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O ZINC001448633426 891767002 /nfs/dbraw/zinc/76/70/02/891767002.db2.gz DELZJLBHNZYGMV-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001448627262 891767111 /nfs/dbraw/zinc/76/71/11/891767111.db2.gz FLUPIZSFGAQCIR-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001448630424 891767616 /nfs/dbraw/zinc/76/76/16/891767616.db2.gz IVUOLQAXMDJVSX-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN CN(C(=O)[C@]1(C)CCC(=O)N1)[C@@H](CNCC(N)=O)C1CC1 ZINC001448589839 891767667 /nfs/dbraw/zinc/76/76/67/891767667.db2.gz JAVAFFRPPNSUII-HZMBPMFUSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncnn1)N[C@H]1CCNC1=O ZINC001448655941 891767786 /nfs/dbraw/zinc/76/77/86/891767786.db2.gz NQEFDNAUIRICSF-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001448633206 891767915 /nfs/dbraw/zinc/76/79/15/891767915.db2.gz OETZARMAZMWDDO-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncnn1)N[C@H]1CCNC1=O ZINC001448655354 891767975 /nfs/dbraw/zinc/76/79/75/891767975.db2.gz NQEFDNAUIRICSF-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncnn1)N[C@@H]1CCNC1=O ZINC001448655939 891768180 /nfs/dbraw/zinc/76/81/80/891768180.db2.gz NQEFDNAUIRICSF-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@H](NC[C@@H](C1CC1)N(C)C(=O)CCNC(N)=O)C(N)=O ZINC001448620529 891768224 /nfs/dbraw/zinc/76/82/24/891768224.db2.gz SYMYDJPSZQVQNP-WPRPVWTQSA-N 0 3 299.375 -1.255 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cnc(C(N)=O)n1)NCCF ZINC001448654734 891768260 /nfs/dbraw/zinc/76/82/60/891768260.db2.gz QRHOYROQMUBSGY-QMMMGPOBSA-N 0 3 286.311 -1.217 20 0 CAADHN C[C@H](CN(C)C(=O)c1cncnc1)NCC(=O)NC(N)=O ZINC001448649063 891768345 /nfs/dbraw/zinc/76/83/45/891768345.db2.gz ISLGJYCOHQIJRF-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)C[C@H](C)NCCF ZINC001448707000 891771906 /nfs/dbraw/zinc/77/19/06/891771906.db2.gz VNCXTYMVPHLUNE-QMMMGPOBSA-N 0 3 284.357 -1.554 20 0 CAADHN CC(=O)N(C)[C@@H](CNCC(=O)N1CCNC(=O)C1)C1CC1 ZINC001448581799 891768650 /nfs/dbraw/zinc/76/86/50/891768650.db2.gz LNIJVGTTXKRXNA-LBPRGKRZSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCCC1=O)N[C@@H](C)C(N)=O ZINC001448629701 891768723 /nfs/dbraw/zinc/76/87/23/891768723.db2.gz HINQYRSYZBQQOZ-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)C[C@H](C)NCC(=O)NC ZINC001448774445 891773492 /nfs/dbraw/zinc/77/34/92/891773492.db2.gz JMXNCKXIZQQVKY-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001448690842 891769718 /nfs/dbraw/zinc/76/97/18/891769718.db2.gz FMXDXOWFRIUDMI-VIFPVBQESA-N 0 3 298.347 -2.236 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)NCC(N)=O ZINC001448716852 891769772 /nfs/dbraw/zinc/76/97/72/891769772.db2.gz XPJQPPTUJPKZNC-UFBFGSQYSA-N 0 3 270.333 -1.423 20 0 CAADHN CN(CCNC(=O)Cn1cnnn1)C(=O)[C@@H]1CCCN1C ZINC001448702077 891770215 /nfs/dbraw/zinc/77/02/15/891770215.db2.gz RXRWILQCUGNGOH-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)Cn1ncn(C)c1=O ZINC001448690839 891770552 /nfs/dbraw/zinc/77/05/52/891770552.db2.gz FMXDXOWFRIUDMI-SECBINFHSA-N 0 3 298.347 -2.236 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)NCC(N)=O ZINC001448708262 891770950 /nfs/dbraw/zinc/77/09/50/891770950.db2.gz YNHGKOYVWYORLJ-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)NCC(N)=O ZINC001448708256 891771055 /nfs/dbraw/zinc/77/10/55/891771055.db2.gz YNHGKOYVWYORLJ-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)NCC(N)=O ZINC001448723009 891771580 /nfs/dbraw/zinc/77/15/80/891771580.db2.gz AHUBAECCRMDXBM-RQJHMYQMSA-N 0 3 285.304 -2.494 20 0 CAADHN C[C@H](CN(C)C(=O)Cc1ncc[nH]1)NCC(=O)NC(N)=O ZINC001448750047 891773100 /nfs/dbraw/zinc/77/31/00/891773100.db2.gz LRPRCXVPSKOMLS-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@H](CN(C)C(=O)CCNC(N)=O)N[C@@H](C)C(N)=O ZINC001448768869 891774099 /nfs/dbraw/zinc/77/40/99/891774099.db2.gz GDHYPNGBUHSWCW-SFYZADRCSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnn(C)n1)N[C@@H]1CCNC1=O ZINC001448753692 891774688 /nfs/dbraw/zinc/77/46/88/891774688.db2.gz KKVHERBSUCAVMQ-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnn(C)n1)N[C@H]1CCNC1=O ZINC001448753689 891774893 /nfs/dbraw/zinc/77/48/93/891774893.db2.gz KKVHERBSUCAVMQ-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)C[C@@H](C)NCC(=O)NC ZINC001448774444 891774909 /nfs/dbraw/zinc/77/49/09/891774909.db2.gz JMXNCKXIZQQVKY-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)NCC(N)=O ZINC001448729376 891775160 /nfs/dbraw/zinc/77/51/60/891775160.db2.gz TWNVRHKEJBJYPW-SSDOTTSWSA-N 0 3 281.316 -1.351 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)NCC(N)=O ZINC001448794437 891777821 /nfs/dbraw/zinc/77/78/21/891777821.db2.gz XNGVVAKGRHSSNW-SFYZADRCSA-N 0 3 292.361 -2.400 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)NCC(N)=O ZINC001448794445 891778199 /nfs/dbraw/zinc/77/81/99/891778199.db2.gz XNGVVAKGRHSSNW-YUMQZZPRSA-N 0 3 292.361 -2.400 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCCC1=O)c1ccn[nH]1 ZINC001448812230 891780120 /nfs/dbraw/zinc/78/01/20/891780120.db2.gz GQPLFWUEMVQOIO-SNVBAGLBSA-N 0 3 295.343 -1.288 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCCC1=O)[C@H]1CCCO1 ZINC001448813212 891780566 /nfs/dbraw/zinc/78/05/66/891780566.db2.gz RLIRPTKGMRFVQR-NWDGAFQWSA-N 0 3 299.371 -1.146 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCCC1=O)c1ccn[nH]1 ZINC001448812225 891782501 /nfs/dbraw/zinc/78/25/01/891782501.db2.gz GQPLFWUEMVQOIO-JTQLQIEISA-N 0 3 295.343 -1.288 20 0 CAADHN Cn1nncc1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001448826571 891784870 /nfs/dbraw/zinc/78/48/70/891784870.db2.gz JCNUYPVRCJFXSC-SECBINFHSA-N 0 3 294.319 -2.213 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@@H]1CCOC1 ZINC001448823726 891785806 /nfs/dbraw/zinc/78/58/06/891785806.db2.gz JKHHRVWMXMCFTF-GHMZBOCLSA-N 0 3 283.332 -1.619 20 0 CAADHN CC(C)(O)CC(=O)NC[C@H](CO)NCCn1cncn1 ZINC001448830724 891789008 /nfs/dbraw/zinc/78/90/08/891789008.db2.gz PLVDXSZHQZVPGL-SNVBAGLBSA-N 0 3 285.348 -1.494 20 0 CAADHN O=C(C[C@@H]1CCOC1)NC[C@@H](CO)NCCn1cncn1 ZINC001448839145 891791114 /nfs/dbraw/zinc/79/11/14/891791114.db2.gz RZOJBHUTZVQYKE-RYUDHWBXSA-N 0 3 297.359 -1.229 20 0 CAADHN O=C(C[C@@H]1CCOC1)NC[C@H](CO)NCCn1cncn1 ZINC001448839142 891792420 /nfs/dbraw/zinc/79/24/20/891792420.db2.gz RZOJBHUTZVQYKE-NWDGAFQWSA-N 0 3 297.359 -1.229 20 0 CAADHN CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](CO)NCC(N)=O ZINC001448846642 891796884 /nfs/dbraw/zinc/79/68/84/891796884.db2.gz SBRFOGWFGFEZAQ-WDEREUQCSA-N 0 3 286.376 -1.589 20 0 CAADHN CCN(CC)CC(=O)NCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001448878786 891798171 /nfs/dbraw/zinc/79/81/71/891798171.db2.gz YJYSGYWXZDEAIQ-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN COc1coc(C(=O)NC[C@@H](CO)NCCO)cc1=O ZINC001448872399 891799817 /nfs/dbraw/zinc/79/98/17/891799817.db2.gz SVCXMGJTXDLLHP-QMMMGPOBSA-N 0 3 286.284 -1.679 20 0 CAADHN O=C(NC[C@@H](CO)NCc1ccccc1)[C@@H]1CNC(=O)N1 ZINC001448893270 891803201 /nfs/dbraw/zinc/80/32/01/891803201.db2.gz VFQDNQOCNKHUFS-RYUDHWBXSA-N 0 3 292.339 -1.065 20 0 CAADHN Cc1oncc1CN[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001448933523 891810252 /nfs/dbraw/zinc/81/02/52/891810252.db2.gz ZSMJYVDFWATFPP-VIFPVBQESA-N 0 3 280.288 -1.018 20 0 CAADHN Cc1oncc1CN[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001448933523 891810260 /nfs/dbraw/zinc/81/02/60/891810260.db2.gz ZSMJYVDFWATFPP-VIFPVBQESA-N 0 3 280.288 -1.018 20 0 CAADHN CS(=O)(=O)C1(C(=O)NC[C@@H](CO)NCCO)CCC1 ZINC001448916733 891811950 /nfs/dbraw/zinc/81/19/50/891811950.db2.gz GSHIKHZMBQVTNR-VIFPVBQESA-N 0 3 294.373 -1.987 20 0 CAADHN Cc1oncc1CN[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001448933516 891812924 /nfs/dbraw/zinc/81/29/24/891812924.db2.gz ZSMJYVDFWATFPP-SECBINFHSA-N 0 3 280.288 -1.018 20 0 CAADHN Cc1oncc1CN[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001448933516 891812929 /nfs/dbraw/zinc/81/29/29/891812929.db2.gz ZSMJYVDFWATFPP-SECBINFHSA-N 0 3 280.288 -1.018 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@@H](CO)NCCF)C1 ZINC001448952696 891813969 /nfs/dbraw/zinc/81/39/69/891813969.db2.gz OOABDGHREDBRFZ-WDEREUQCSA-N 0 3 277.340 -1.257 20 0 CAADHN CCOCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@H]1C ZINC001448958967 891814147 /nfs/dbraw/zinc/81/41/47/891814147.db2.gz HGFUPXRJJHPNGZ-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@H](CO)NCCF)C1 ZINC001448952688 891815385 /nfs/dbraw/zinc/81/53/85/891815385.db2.gz OOABDGHREDBRFZ-GHMZBOCLSA-N 0 3 277.340 -1.257 20 0 CAADHN O=C(Cc1ccc[nH]1)NC[C@H](CO)NCCn1cncn1 ZINC001448957054 891815755 /nfs/dbraw/zinc/81/57/55/891815755.db2.gz WOSLQCDZHKCZAF-GFCCVEGCSA-N 0 3 292.343 -1.084 20 0 CAADHN Cc1nnc(CN[C@@H](CO)CNC(=O)CN2CCCC2)[nH]1 ZINC001448954784 891816103 /nfs/dbraw/zinc/81/61/03/891816103.db2.gz OHVGNVLIJLLIKF-LLVKDONJSA-N 0 3 296.375 -1.224 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1C[C@@H](C)N(C(=O)COC)C1 ZINC001448974595 891818210 /nfs/dbraw/zinc/81/82/10/891818210.db2.gz LGWGHHIEHYTAIJ-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](CO)CN(C)C ZINC001449057180 891818287 /nfs/dbraw/zinc/81/82/87/891818287.db2.gz DHFCFNWLQIQAQM-DTWKUNHWSA-N 0 3 299.335 -2.784 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CN(C)C(C)=O)C1 ZINC001448979289 891818349 /nfs/dbraw/zinc/81/83/49/891818349.db2.gz IWXFHWYMWHZGFB-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001449063115 891818378 /nfs/dbraw/zinc/81/83/78/891818378.db2.gz QPPQYGHKRXBUKX-DTWKUNHWSA-N 0 3 283.332 -1.415 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)COC)C1 ZINC001448974608 891818640 /nfs/dbraw/zinc/81/86/40/891818640.db2.gz LGWGHHIEHYTAIJ-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CN(C)C(C)=O)C1 ZINC001448979291 891819401 /nfs/dbraw/zinc/81/94/01/891819401.db2.gz IWXFHWYMWHZGFB-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1C[C@H](C)N(C(=O)COC)C1 ZINC001448974603 891819549 /nfs/dbraw/zinc/81/95/49/891819549.db2.gz LGWGHHIEHYTAIJ-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNCC(=O)N1CCC1 ZINC001449078855 891819603 /nfs/dbraw/zinc/81/96/03/891819603.db2.gz KDZHCOJBXAANJB-JTQLQIEISA-N 0 3 273.333 -1.726 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001448983150 891819784 /nfs/dbraw/zinc/81/97/84/891819784.db2.gz YUTSLHOUAVEEQV-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C ZINC001448981009 891819926 /nfs/dbraw/zinc/81/99/26/891819926.db2.gz OMMNYEIUZVDLEG-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001448987864 891820437 /nfs/dbraw/zinc/82/04/37/891820437.db2.gz YNXZORSOXCWIAP-VHSXEESVSA-N 0 3 280.332 -1.397 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001449062555 891820571 /nfs/dbraw/zinc/82/05/71/891820571.db2.gz OOQNJWQCWMGEPN-SECBINFHSA-N 0 3 299.375 -1.383 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001449062557 891820843 /nfs/dbraw/zinc/82/08/43/891820843.db2.gz OOQNJWQCWMGEPN-VIFPVBQESA-N 0 3 299.375 -1.383 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001448983146 891820889 /nfs/dbraw/zinc/82/08/89/891820889.db2.gz YUTSLHOUAVEEQV-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCCC(N)=O)C1 ZINC001449016928 891820927 /nfs/dbraw/zinc/82/09/27/891820927.db2.gz NNLHYEMTXFSIPY-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCC(=O)N(C)C[C@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001449083243 891821113 /nfs/dbraw/zinc/82/11/13/891821113.db2.gz OKQWJRYBEJIERW-HTQZYQBOSA-N 0 3 274.321 -1.611 20 0 CAADHN C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)Cn1cnnn1 ZINC001448979233 891821579 /nfs/dbraw/zinc/82/15/79/891821579.db2.gz IRVPMNSAVYUFJI-VHSXEESVSA-N 0 3 295.347 -1.660 20 0 CAADHN CCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001449083250 891821795 /nfs/dbraw/zinc/82/17/95/891821795.db2.gz OKQWJRYBEJIERW-SFYZADRCSA-N 0 3 274.321 -1.611 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C ZINC001448987860 891821895 /nfs/dbraw/zinc/82/18/95/891821895.db2.gz YNXZORSOXCWIAP-NXEZZACHSA-N 0 3 280.332 -1.397 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001449085177 891822686 /nfs/dbraw/zinc/82/26/86/891822686.db2.gz DTEMRHAFJQZROX-PSASIEDQSA-N 0 3 288.348 -2.334 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001449099003 891823009 /nfs/dbraw/zinc/82/30/09/891823009.db2.gz YANWAUIPWQAVDY-MRVPVSSYSA-N 0 3 295.361 -2.814 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001449097990 891823074 /nfs/dbraw/zinc/82/30/74/891823074.db2.gz VYABFTCWIZQKRT-SFYZADRCSA-N 0 3 290.320 -2.375 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cc1ccon1 ZINC001449102086 891823109 /nfs/dbraw/zinc/82/31/09/891823109.db2.gz NGPIXWJSIQTMOS-SECBINFHSA-N 0 3 270.289 -1.889 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)CNC(C)=O)C(N)=O ZINC001449103693 891823254 /nfs/dbraw/zinc/82/32/54/891823254.db2.gz PUZLMICDHSSRDQ-ZJUUUORDSA-N 0 3 288.348 -2.205 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001449085246 891823439 /nfs/dbraw/zinc/82/34/39/891823439.db2.gz DTEMRHAFJQZROX-SCZZXKLOSA-N 0 3 288.348 -2.334 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)[nH]n1 ZINC001449090699 891823584 /nfs/dbraw/zinc/82/35/84/891823584.db2.gz DUOTZCPCUGTKCP-IUCAKERBSA-N 0 3 283.332 -1.386 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@H](C)C(=O)NC1CC1 ZINC001449090361 891823890 /nfs/dbraw/zinc/82/38/90/891823890.db2.gz YILANTLRISJZNR-MWLCHTKSSA-N 0 3 287.360 -1.291 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1ccon1 ZINC001449102161 891824238 /nfs/dbraw/zinc/82/42/38/891824238.db2.gz NGVIZCUENWLMDR-JTQLQIEISA-N 0 3 284.316 -1.628 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)[nH]n1 ZINC001449090704 891824512 /nfs/dbraw/zinc/82/45/12/891824512.db2.gz DUOTZCPCUGTKCP-RKDXNWHRSA-N 0 3 283.332 -1.386 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C)n[nH]1 ZINC001449089636 891824859 /nfs/dbraw/zinc/82/48/59/891824859.db2.gz BUBKWNDBZWQUPB-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C)[nH]n1 ZINC001449089636 891824880 /nfs/dbraw/zinc/82/48/80/891824880.db2.gz BUBKWNDBZWQUPB-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001449085247 891824997 /nfs/dbraw/zinc/82/49/97/891824997.db2.gz DTEMRHAFJQZROX-WCBMZHEXSA-N 0 3 288.348 -2.334 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1COCCO1 ZINC001449107414 891825249 /nfs/dbraw/zinc/82/52/49/891825249.db2.gz BFFBIMQHBLYIGG-DTWKUNHWSA-N 0 3 275.305 -2.704 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001449097986 891825305 /nfs/dbraw/zinc/82/53/05/891825305.db2.gz VYABFTCWIZQKRT-HTQZYQBOSA-N 0 3 290.320 -2.375 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001449093637 891825323 /nfs/dbraw/zinc/82/53/23/891825323.db2.gz PHMRHVUOVOTRFE-MRVPVSSYSA-N 0 3 285.308 -3.172 20 0 CAADHN CCCN(C)CC(=O)NCCN(C)C(=O)c1nnn(C)n1 ZINC001449083888 891825460 /nfs/dbraw/zinc/82/54/60/891825460.db2.gz PVSRUFRXDVZVIN-UHFFFAOYSA-N 0 3 297.363 -1.260 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001449101629 891825802 /nfs/dbraw/zinc/82/58/02/891825802.db2.gz LYRJCOVMTCOYRP-BDAKNGLRSA-N 0 3 296.327 -1.317 20 0 CAADHN CO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)NC(C)C ZINC001449094757 891825839 /nfs/dbraw/zinc/82/58/39/891825839.db2.gz PGQBUZKZLKZTEI-QWRGUYRKSA-N 0 3 289.376 -1.045 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001449109372 891826120 /nfs/dbraw/zinc/82/61/20/891826120.db2.gz CZOAYNHTEWJUME-SNVBAGLBSA-N 0 3 297.359 -1.090 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001449101638 891826248 /nfs/dbraw/zinc/82/62/48/891826248.db2.gz LYRJCOVMTCOYRP-RKDXNWHRSA-N 0 3 296.327 -1.317 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)n1cccn1 ZINC001449097067 891826328 /nfs/dbraw/zinc/82/63/28/891826328.db2.gz SGWLNAJOHHGRRI-VHSXEESVSA-N 0 3 283.332 -1.662 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccsn1 ZINC001449125818 891827155 /nfs/dbraw/zinc/82/71/55/891827155.db2.gz LMNHTDDMIHQSIH-ZETCQYMHSA-N 0 3 272.330 -1.349 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001449116021 891827185 /nfs/dbraw/zinc/82/71/85/891827185.db2.gz LACNMKHLTALPBE-VHSXEESVSA-N 0 3 289.332 -2.443 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1c(C)ncn1C ZINC001449117851 891827240 /nfs/dbraw/zinc/82/72/40/891827240.db2.gz CTDKWHZIGWIDBW-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001449116022 891827287 /nfs/dbraw/zinc/82/72/87/891827287.db2.gz LACNMKHLTALPBE-ZJUUUORDSA-N 0 3 289.332 -2.443 20 0 CAADHN CSC[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001449117578 891827550 /nfs/dbraw/zinc/82/75/50/891827550.db2.gz SCZJGFIUCDTGEX-BDAKNGLRSA-N 0 3 277.390 -1.120 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001449130203 891827800 /nfs/dbraw/zinc/82/78/00/891827800.db2.gz JOOWQAXVSKBOOH-SSDOTTSWSA-N 0 3 270.293 -2.427 20 0 CAADHN CSC[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001449117591 891827853 /nfs/dbraw/zinc/82/78/53/891827853.db2.gz SCZJGFIUCDTGEX-IUCAKERBSA-N 0 3 277.390 -1.120 20 0 CAADHN CCc1nc(C(=O)N(C)C[C@H](O)CNCC(N)=O)co1 ZINC001449116477 891827983 /nfs/dbraw/zinc/82/79/83/891827983.db2.gz UYFZTUSCABGNJV-MRVPVSSYSA-N 0 3 284.316 -1.255 20 0 CAADHN CCc1nc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)co1 ZINC001449116615 891828171 /nfs/dbraw/zinc/82/81/71/891828171.db2.gz UYFZTUSCABGNJV-QMMMGPOBSA-N 0 3 284.316 -1.255 20 0 CAADHN Cc1nn(C)cc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001449123268 891828319 /nfs/dbraw/zinc/82/83/19/891828319.db2.gz YDRLRODYOJKKCD-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001449116019 891828622 /nfs/dbraw/zinc/82/86/22/891828622.db2.gz LACNMKHLTALPBE-NXEZZACHSA-N 0 3 289.332 -2.443 20 0 CAADHN Cc1ccc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)nn1 ZINC001449129741 891828966 /nfs/dbraw/zinc/82/89/66/891828966.db2.gz SGBOAOLDDKBRFT-NXEZZACHSA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccsn1 ZINC001449130619 891829055 /nfs/dbraw/zinc/82/90/55/891829055.db2.gz RIMKLLFXTTXROZ-QMMMGPOBSA-N 0 3 286.357 -1.088 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001449127946 891829125 /nfs/dbraw/zinc/82/91/25/891829125.db2.gz XLTITGRGZFKMDD-SECBINFHSA-N 0 3 274.321 -2.641 20 0 CAADHN COC[C@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001449123490 891829437 /nfs/dbraw/zinc/82/94/37/891829437.db2.gz YSMZPRUGYRAMPZ-WDEREUQCSA-N 0 3 289.376 -1.234 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001449129758 891829502 /nfs/dbraw/zinc/82/95/02/891829502.db2.gz SHAMFEDIKPXUOP-SECBINFHSA-N 0 3 283.332 -1.432 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)o1 ZINC001449128489 891829943 /nfs/dbraw/zinc/82/99/43/891829943.db2.gz VVXCJARIAOIEMF-QMMMGPOBSA-N 0 3 285.304 -2.185 20 0 CAADHN Cc1ccc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)nn1 ZINC001449129744 891830540 /nfs/dbraw/zinc/83/05/40/891830540.db2.gz SGBOAOLDDKBRFT-UWVGGRQHSA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001449123209 891830792 /nfs/dbraw/zinc/83/07/92/891830792.db2.gz PFDMXILMDROQLK-DTWKUNHWSA-N 0 3 298.347 -2.028 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cc(C)on1 ZINC001449124641 891830859 /nfs/dbraw/zinc/83/08/59/891830859.db2.gz ZLEXMPOTVWTNNE-LLVKDONJSA-N 0 3 298.343 -1.320 20 0 CAADHN CN(C[C@H](O)C[NH2+]Cc1cnn(C)c1)C(=O)c1nc[n-]n1 ZINC001449157822 891831734 /nfs/dbraw/zinc/83/17/34/891831734.db2.gz DRUYGJGOSCDVMZ-SNVBAGLBSA-N 0 3 293.331 -1.239 20 0 CAADHN CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)c1nc[nH]n1 ZINC001449157822 891831743 /nfs/dbraw/zinc/83/17/43/891831743.db2.gz DRUYGJGOSCDVMZ-SNVBAGLBSA-N 0 3 293.331 -1.239 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cnon1)C(N)=O ZINC001449157426 891832095 /nfs/dbraw/zinc/83/20/95/891832095.db2.gz CHNZUFAGEGKBJM-JGVFFNPUSA-N 0 3 285.304 -1.644 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cncn1C ZINC001449148817 891832205 /nfs/dbraw/zinc/83/22/05/891832205.db2.gz VQSDFOGYNXKHKG-VIFPVBQESA-N 0 3 283.332 -1.811 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001449155642 891832280 /nfs/dbraw/zinc/83/22/80/891832280.db2.gz BCGROPLUPNQCCY-VIFPVBQESA-N 0 3 298.347 -1.647 20 0 CAADHN CCCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449155642 891832294 /nfs/dbraw/zinc/83/22/94/891832294.db2.gz BCGROPLUPNQCCY-VIFPVBQESA-N 0 3 298.347 -1.647 20 0 CAADHN COCc1ccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)o1 ZINC001449139578 891832329 /nfs/dbraw/zinc/83/23/29/891832329.db2.gz CRNUHSAEDULVEN-VIFPVBQESA-N 0 3 299.327 -1.066 20 0 CAADHN CCn1cnc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001449154243 891832616 /nfs/dbraw/zinc/83/26/16/891832616.db2.gz ABJILTJELJLCGC-VHSXEESVSA-N 0 3 297.359 -1.201 20 0 CAADHN CCc1n[nH]cc1C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001449139425 891832682 /nfs/dbraw/zinc/83/26/82/891832682.db2.gz WHETXNLRTVRGSF-SECBINFHSA-N 0 3 297.359 -1.259 20 0 CAADHN Cc1ccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)c(=O)[nH]1 ZINC001449145839 891832709 /nfs/dbraw/zinc/83/27/09/891832709.db2.gz JTDUUMQDHIDHCU-VIFPVBQESA-N 0 3 296.327 -1.397 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1nc(C)c[nH]1 ZINC001449151377 891832950 /nfs/dbraw/zinc/83/29/50/891832950.db2.gz SUCZSOMDURGGQC-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN COCC(C)(C)C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001449136834 891833050 /nfs/dbraw/zinc/83/30/50/891833050.db2.gz INNPLESKTVYCFX-VHSXEESVSA-N 0 3 289.376 -1.058 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@]1(C)CCOC1 ZINC001449158303 891833114 /nfs/dbraw/zinc/83/31/14/891833114.db2.gz DSNPIONTQBCVFV-CABZTGNLSA-N 0 3 273.333 -1.693 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001449141210 891833156 /nfs/dbraw/zinc/83/31/56/891833156.db2.gz ZXHXGISFOHBUFN-DTWKUNHWSA-N 0 3 286.332 -2.593 20 0 CAADHN CO[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)C1CCC1 ZINC001449137130 891833461 /nfs/dbraw/zinc/83/34/61/891833461.db2.gz SQASDKMZYFOQEF-ZYHUDNBSSA-N 0 3 287.360 -1.304 20 0 CAADHN COCC1(C(=O)N(C)C[C@@H](O)CNCC(N)=O)CCC1 ZINC001449144313 891833504 /nfs/dbraw/zinc/83/35/04/891833504.db2.gz YAYRLWYHGVCPGX-JTQLQIEISA-N 0 3 287.360 -1.303 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)CCc1ccon1)C(N)=O ZINC001449142357 891833675 /nfs/dbraw/zinc/83/36/75/891833675.db2.gz VPFYHHINMDOZGL-MWLCHTKSSA-N 0 3 298.343 -1.110 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001449139856 891833992 /nfs/dbraw/zinc/83/39/92/891833992.db2.gz PMMFINUQCKHAAQ-KOLCDFICSA-N 0 3 298.343 -1.240 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001449141064 891834445 /nfs/dbraw/zinc/83/44/45/891834445.db2.gz HRQMGNJNYXULMH-NXEZZACHSA-N 0 3 297.359 -1.423 20 0 CAADHN CCn1cnc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001449154242 891834564 /nfs/dbraw/zinc/83/45/64/891834564.db2.gz ABJILTJELJLCGC-UWVGGRQHSA-N 0 3 297.359 -1.201 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cncn1C ZINC001449145694 891834690 /nfs/dbraw/zinc/83/46/90/891834690.db2.gz QJRMMVACBZLKEU-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnon1 ZINC001449160678 891835959 /nfs/dbraw/zinc/83/59/59/891835959.db2.gz IHSYGDJBPADECX-JGVFFNPUSA-N 0 3 283.288 -2.019 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)COc1ccccc1 ZINC001449170353 891836825 /nfs/dbraw/zinc/83/68/25/891836825.db2.gz JBNUWFJEMLKPBF-NSHDSACASA-N 0 3 295.339 -1.040 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cn1cncn1)C(N)=O ZINC001449174708 891837659 /nfs/dbraw/zinc/83/76/59/891837659.db2.gz DOCPGIRCCXCZRT-IUCAKERBSA-N 0 3 284.320 -2.439 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001449164839 891838070 /nfs/dbraw/zinc/83/80/70/891838070.db2.gz NQJOBRCXTLUWKF-ZJUUUORDSA-N 0 3 295.343 -1.366 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001449164827 891838512 /nfs/dbraw/zinc/83/85/12/891838512.db2.gz NQJOBRCXTLUWKF-NXEZZACHSA-N 0 3 295.343 -1.366 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001449188376 891839392 /nfs/dbraw/zinc/83/93/92/891839392.db2.gz SERXZCGLAXNOOK-SECBINFHSA-N 0 3 284.320 -2.567 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1nonc1C)C(N)=O ZINC001449178514 891839711 /nfs/dbraw/zinc/83/97/11/891839711.db2.gz VVXKNCOUISGJRE-BDAKNGLRSA-N 0 3 299.331 -1.336 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cn1cncn1)C(N)=O ZINC001449174701 891840065 /nfs/dbraw/zinc/84/00/65/891840065.db2.gz DOCPGIRCCXCZRT-BDAKNGLRSA-N 0 3 284.320 -2.439 20 0 CAADHN CC(C)N(C)CC(=O)N(C)C[C@H](O)CN(C)CC(N)=O ZINC001449230617 891842197 /nfs/dbraw/zinc/84/21/97/891842197.db2.gz DNMSHSBZWOUEDW-LLVKDONJSA-N 0 3 288.392 -1.437 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001449207814 891842591 /nfs/dbraw/zinc/84/25/91/891842591.db2.gz CAZFQSNVEHRJDH-ZJUUUORDSA-N 0 3 288.348 -1.935 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001449239471 891843116 /nfs/dbraw/zinc/84/31/16/891843116.db2.gz YWOLCYDJSHJYIB-VIFPVBQESA-N 0 3 297.377 -2.721 20 0 CAADHN C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449253584 891847956 /nfs/dbraw/zinc/84/79/56/891847956.db2.gz PDSDLLJFKORNGF-RKDXNWHRSA-N 0 3 271.321 -1.450 20 0 CAADHN C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449253584 891847978 /nfs/dbraw/zinc/84/79/78/891847978.db2.gz PDSDLLJFKORNGF-RKDXNWHRSA-N 0 3 271.321 -1.450 20 0 CAADHN C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449253583 891848871 /nfs/dbraw/zinc/84/88/71/891848871.db2.gz PDSDLLJFKORNGF-IUCAKERBSA-N 0 3 271.321 -1.450 20 0 CAADHN C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449253583 891848879 /nfs/dbraw/zinc/84/88/79/891848879.db2.gz PDSDLLJFKORNGF-IUCAKERBSA-N 0 3 271.321 -1.450 20 0 CAADHN COCCN(CCNC(=O)[C@@H]1CNC(=O)N1)C[C@H](C)O ZINC001449342685 891849567 /nfs/dbraw/zinc/84/95/67/891849567.db2.gz MTALEROEUJSEMW-UWVGGRQHSA-N 0 3 288.348 -1.887 20 0 CAADHN COC(=O)NCC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001450279264 891866953 /nfs/dbraw/zinc/86/69/53/891866953.db2.gz LZFZKRYDUATVBJ-JTQLQIEISA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001450321427 891869366 /nfs/dbraw/zinc/86/93/66/891869366.db2.gz QPDPMHHCRFRVIK-VIFPVBQESA-N 0 3 297.359 -1.534 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)[C@H](C)NC(N)=O)C1)N(C)C ZINC001450325768 891869736 /nfs/dbraw/zinc/86/97/36/891869736.db2.gz ZUBKJSTVQNUVFI-WCBMZHEXSA-N 0 3 299.375 -1.290 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)CCNC(N)=O)C1 ZINC001450375808 891871187 /nfs/dbraw/zinc/87/11/87/891871187.db2.gz AAVGVILHSKUVJV-UHFFFAOYSA-N 0 3 299.375 -1.288 20 0 CAADHN COCCC(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001451480208 891912152 /nfs/dbraw/zinc/91/21/52/891912152.db2.gz WOKHREZWOJAWKX-SNVBAGLBSA-N 0 3 298.343 -1.110 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001452288363 891942628 /nfs/dbraw/zinc/94/26/28/891942628.db2.gz KAQDAJQWNNWSEF-SNVBAGLBSA-N 0 3 297.359 -1.043 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001452282832 891942968 /nfs/dbraw/zinc/94/29/68/891942968.db2.gz HXWORCQMUPUVRU-QWRGUYRKSA-N 0 3 289.376 -1.045 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)Cn1ncnn1 ZINC001452820943 891964956 /nfs/dbraw/zinc/96/49/56/891964956.db2.gz ODZOWOZGSLKNLG-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN Nc1nnn(CC(=O)NC2CCN([C@H]3CCOC3)CC2)n1 ZINC001453746142 891982254 /nfs/dbraw/zinc/98/22/54/891982254.db2.gz YGJQHFGCDDHFPU-JTQLQIEISA-N 0 3 295.347 -1.375 20 0 CAADHN O=C(CO)NCCC(=O)NCCN1CC[C@@H](O)C1 ZINC001454579254 892010507 /nfs/dbraw/zinc/01/05/07/892010507.db2.gz SADFKYOTFUQAHD-SECBINFHSA-N 0 3 259.306 -2.332 20 0 CAADHN CN(CC(=O)N1CCN(C)[C@H](CO)C1)[C@@H]1CCC[C@H]1O ZINC001454666183 892013610 /nfs/dbraw/zinc/01/36/10/892013610.db2.gz XHYKMZUHMVSRNW-YNEHKIRRSA-N 0 3 285.388 -1.034 20 0 CAADHN O=C(CCc1nc[nH]n1)NC[C@@]1(CO)COCCN1 ZINC001454785340 892019330 /nfs/dbraw/zinc/01/93/30/892019330.db2.gz UOXMQQIMGOMOMZ-LLVKDONJSA-N 0 3 269.305 -1.796 20 0 CAADHN CN(CCNC(=O)Cn1ncnn1)CCOCCO ZINC001455176836 892027798 /nfs/dbraw/zinc/02/77/98/892027798.db2.gz JSIYLUHBTHZETC-UHFFFAOYSA-N 0 3 272.309 -2.270 20 0 CAADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CO)NC(N)=O ZINC001455763220 892056706 /nfs/dbraw/zinc/05/67/06/892056706.db2.gz BZPCBFZYLZEIRM-IVZWLZJFSA-N 0 3 270.333 -1.289 20 0 CAADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CO)NC(N)=O ZINC001455763216 892058605 /nfs/dbraw/zinc/05/86/05/892058605.db2.gz BZPCBFZYLZEIRM-AEJSXWLSSA-N 0 3 270.333 -1.289 20 0 CAADHN C[C@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CCN1C ZINC001455942607 892060327 /nfs/dbraw/zinc/06/03/27/892060327.db2.gz FRNKAMYQAHQCJS-YUMQZZPRSA-N 0 3 266.305 -1.414 20 0 CAADHN CCN1CCC[C@H](NC(=O)Cn2nnc(N)n2)C1 ZINC001456154325 892064323 /nfs/dbraw/zinc/06/43/23/892064323.db2.gz QOJMRCQCRJPCOT-QMMMGPOBSA-N 0 3 253.310 -1.144 20 0 CAADHN O=C([C@@H]1COCCO1)N1CC(N[C@@H]2CCOC2)C1 ZINC001456299642 892070052 /nfs/dbraw/zinc/07/00/52/892070052.db2.gz QWRVCYMDMQWOCZ-KOLCDFICSA-N 0 3 256.302 -1.009 20 0 CAADHN CC(=O)NCC(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001456294482 892070380 /nfs/dbraw/zinc/07/03/80/892070380.db2.gz GWDFANPVWCBVPB-UHFFFAOYSA-N 0 3 284.360 -1.210 20 0 CAADHN Cn1cnnc1COCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001456302135 892070551 /nfs/dbraw/zinc/07/05/51/892070551.db2.gz KHWCNQWPZVCBTO-JTQLQIEISA-N 0 3 295.343 -1.079 20 0 CAADHN Cn1cnnc1COCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001456302141 892070859 /nfs/dbraw/zinc/07/08/59/892070859.db2.gz KHWCNQWPZVCBTO-SNVBAGLBSA-N 0 3 295.343 -1.079 20 0 CAADHN O=C([C@@H]1COCCO1)N1CC(N[C@H]2CCOC2)C1 ZINC001456299650 892071555 /nfs/dbraw/zinc/07/15/55/892071555.db2.gz QWRVCYMDMQWOCZ-ONGXEEELSA-N 0 3 256.302 -1.009 20 0 CAADHN C[C@@H](O)c1cn(CC(=O)N2CC(N[C@@H]3CCOC3)C2)nn1 ZINC001456303860 892071679 /nfs/dbraw/zinc/07/16/79/892071679.db2.gz ZARIYQLQGINSTI-NXEZZACHSA-N 0 3 295.343 -1.079 20 0 CAADHN CS(=O)(=O)CC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001456300369 892072276 /nfs/dbraw/zinc/07/22/76/892072276.db2.gz RKJAIWPMDYJSOZ-QMMMGPOBSA-N 0 3 262.331 -1.380 20 0 CAADHN Nc1nnn(CC(=O)NC[C@@H]2CCN2C2CCOCC2)n1 ZINC001456276345 892072332 /nfs/dbraw/zinc/07/23/32/892072332.db2.gz RDUVIIANNMUBDC-JTQLQIEISA-N 0 3 295.347 -1.375 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001456300470 892072721 /nfs/dbraw/zinc/07/27/21/892072721.db2.gz HSETXKMNHPCFQF-JGVFFNPUSA-N 0 3 256.306 -1.368 20 0 CAADHN COCC(=O)N(C)CC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001456301236 892073474 /nfs/dbraw/zinc/07/34/74/892073474.db2.gz SCWFYLCJQYLKEP-JTQLQIEISA-N 0 3 285.344 -1.320 20 0 CAADHN O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CC(N[C@H]2CCOC2)C1 ZINC001456302463 892074112 /nfs/dbraw/zinc/07/41/12/892074112.db2.gz WGAZKDOQBWHXIU-WKSBVSIWSA-N 0 3 298.339 -2.012 20 0 CAADHN O=C([C@H]1COCCO1)N1CC(N[C@H]2CCOC2)C1 ZINC001456299638 892074172 /nfs/dbraw/zinc/07/41/72/892074172.db2.gz QWRVCYMDMQWOCZ-GXSJLCMTSA-N 0 3 256.302 -1.009 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)N(C)C ZINC001456341504 892075361 /nfs/dbraw/zinc/07/53/61/892075361.db2.gz FWJMILRIDFIGCM-VWYCJHECSA-N 0 3 296.371 -1.225 20 0 CAADHN CC[C@H](C(=O)NCC1CN(C(=O)CNC(N)=O)C1)N(C)C ZINC001456520405 892079226 /nfs/dbraw/zinc/07/92/26/892079226.db2.gz VFKFWPGQPUQMLZ-SNVBAGLBSA-N 0 3 299.375 -1.431 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC001457853564 892102774 /nfs/dbraw/zinc/10/27/74/892102774.db2.gz LQJOXKTWGIYFEM-GMTAPVOTSA-N 0 3 257.334 -1.766 20 0 CAADHN C[C@H](CNC(=O)CNC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001458301540 892118467 /nfs/dbraw/zinc/11/84/67/892118467.db2.gz QNQVEYCIFXVGGN-NXEZZACHSA-N 0 3 299.375 -1.383 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001458543941 892122459 /nfs/dbraw/zinc/12/24/59/892122459.db2.gz LAHDVAIZPIIUDZ-AEJSXWLSSA-N 0 3 299.375 -1.371 20 0 CAADHN Nc1nc(N)nc(N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)n1 ZINC001458574778 892124884 /nfs/dbraw/zinc/12/48/84/892124884.db2.gz QETLQONOFJJRDJ-RQJHMYQMSA-N 0 3 284.345 -1.093 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001458644945 892125880 /nfs/dbraw/zinc/12/58/80/892125880.db2.gz KEHJONJAYHSCLC-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN Nc1nc(N)nc(N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)n1 ZINC001458673529 892126342 /nfs/dbraw/zinc/12/63/42/892126342.db2.gz STQYCSUVKRWVNV-OLQVQODUSA-N 0 3 270.318 -1.483 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C[C@@H]2CNC(=O)C2)C1 ZINC001459485941 892134710 /nfs/dbraw/zinc/13/47/10/892134710.db2.gz HZICCUFLHFRVQD-IUCAKERBSA-N 0 3 261.347 -1.254 20 0 CAADHN COC(=O)CC1(NC[C@@H](O)CO)CCS(=O)(=O)CC1 ZINC001459992317 892140332 /nfs/dbraw/zinc/14/03/32/892140332.db2.gz NZVXEJXTTOKTBQ-SECBINFHSA-N 0 3 295.357 -1.560 20 0 CAADHN NC(=O)NC(=O)CCN1CCC(S(N)(=O)=O)CC1 ZINC001459873326 892141412 /nfs/dbraw/zinc/14/14/12/892141412.db2.gz KMWGULJZAFCDFX-UHFFFAOYSA-N 0 3 278.334 -1.676 20 0 CAADHN CC(C)(O)[C@@H](O)CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001460042217 892141433 /nfs/dbraw/zinc/14/14/33/892141433.db2.gz ZBUQXWWMJWIDIF-QPUJVOFHSA-N 0 3 271.317 -1.208 20 0 CAADHN C[C@@H]1CN(CCO)CCN1C[C@H](O)C1(O)CCOCC1 ZINC001460231666 892143796 /nfs/dbraw/zinc/14/37/96/892143796.db2.gz DCYIFKFQWDZZND-OLZOCXBDSA-N 0 3 288.388 -1.113 20 0 CAADHN NS(=O)(=O)CCCN1CC[C@H](O)[C@@H](CO)C1 ZINC001460255747 892146475 /nfs/dbraw/zinc/14/64/75/892146475.db2.gz OXMIEDKESLTROB-BDAKNGLRSA-N 0 3 252.336 -1.660 20 0 CAADHN CNC(=O)[C@H]1CCN(CCS(=O)(=O)N(C)C)C1 ZINC001460271921 892146559 /nfs/dbraw/zinc/14/65/59/892146559.db2.gz RCWSKPXUYDAWNM-VIFPVBQESA-N 0 3 263.363 -1.054 20 0 CAADHN CCN1CC[C@H](N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001460427567 892148187 /nfs/dbraw/zinc/14/81/87/892148187.db2.gz DLVFQTHZDIZMGS-HLTSFMKQSA-N 0 3 268.317 -1.874 20 0 CAADHN Cc1nn(C)cc1CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001460431948 892148484 /nfs/dbraw/zinc/14/84/84/892148484.db2.gz KFRJPUDJOMAFDC-NXEZZACHSA-N 0 3 265.317 -1.253 20 0 CAADHN CC(=O)[C@](C)(O)CN1CC[C@H](CS(N)(=O)=O)C1 ZINC001460884149 892151158 /nfs/dbraw/zinc/15/11/58/892151158.db2.gz SJRRRJKJGDVKFW-VHSXEESVSA-N 0 3 264.347 -1.063 20 0 CAADHN CN(C[C@@H](O)CC1(O)CCOCC1)[C@@H]1COC[C@H]1O ZINC001460797896 892152273 /nfs/dbraw/zinc/15/22/73/892152273.db2.gz VFWPZCYPYBHCJO-QJPTWQEYSA-N 0 3 275.345 -1.030 20 0 CAADHN CC(=O)[C@@](C)(O)CN1CC[C@H](CS(N)(=O)=O)C1 ZINC001460884032 892153083 /nfs/dbraw/zinc/15/30/83/892153083.db2.gz SJRRRJKJGDVKFW-UWVGGRQHSA-N 0 3 264.347 -1.063 20 0 CAADHN O=C1NCCN1CCN1CCC2(CC1)C[C@H](O)CNC2=O ZINC001460878823 892153610 /nfs/dbraw/zinc/15/36/10/892153610.db2.gz MNYQXVKTRDVPCG-NSHDSACASA-N 0 3 296.371 -1.025 20 0 CAADHN CC(C)NS(=O)(=O)NCCNC1COCCOC1 ZINC001462088122 892160666 /nfs/dbraw/zinc/16/06/66/892160666.db2.gz PGVRHSHLQBQDOX-UHFFFAOYSA-N 0 3 281.378 -1.176 20 0 CAADHN CC[C@H](O)Cn1cc(C(=O)NC[C@@]2(O)CCN(C)C2)nn1 ZINC001466682327 892231805 /nfs/dbraw/zinc/23/18/05/892231805.db2.gz JPWVHUIWJPSKNQ-GWCFXTLKSA-N 0 3 297.359 -1.155 20 0 CAADHN CC[C@@H](O)Cn1cc(C(=O)NC[C@@]2(O)CCN(C)C2)nn1 ZINC001466682329 892232485 /nfs/dbraw/zinc/23/24/85/892232485.db2.gz JPWVHUIWJPSKNQ-MFKMUULPSA-N 0 3 297.359 -1.155 20 0 CAADHN CC[C@H](O)Cn1cc(C(=O)NC[C@]2(O)CCN(C)C2)nn1 ZINC001466682328 892232745 /nfs/dbraw/zinc/23/27/45/892232745.db2.gz JPWVHUIWJPSKNQ-GXFFZTMASA-N 0 3 297.359 -1.155 20 0 CAADHN C[C@H](NC(=O)[C@@H](CO)NC(N)=O)C1=CCN(C)CC1 ZINC001466796850 892236545 /nfs/dbraw/zinc/23/65/45/892236545.db2.gz YXBBODNHQLZLMU-WCBMZHEXSA-N 0 3 270.333 -1.218 20 0 CAADHN CCN(CCO)CCNC(=O)CCCS(N)(=O)=O ZINC001467375620 892242872 /nfs/dbraw/zinc/24/28/72/892242872.db2.gz KBBNAXNMQCQBEL-UHFFFAOYSA-N 0 3 281.378 -1.515 20 0 CAADHN CCN(CCO)CCNC(=O)Cn1cnc(N)n1 ZINC001467377094 892245100 /nfs/dbraw/zinc/24/51/00/892245100.db2.gz WEDJCHMGMKSJJE-UHFFFAOYSA-N 0 3 256.310 -1.709 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCCS(N)(=O)=O ZINC001467814624 892255655 /nfs/dbraw/zinc/25/56/55/892255655.db2.gz PHJPPDFXIRQJTF-MRVPVSSYSA-N 0 3 267.351 -1.906 20 0 CAADHN CN(C)C1(C(=O)NCCOCCS(N)(=O)=O)CCC1 ZINC001467850757 892257328 /nfs/dbraw/zinc/25/73/28/892257328.db2.gz AGEYCBQRLMDNPE-UHFFFAOYSA-N 0 3 293.389 -1.108 20 0 CAADHN NC(=O)C1(C(=O)NCC(=O)NCCN2CCCCC2)CC1 ZINC001468041737 892261033 /nfs/dbraw/zinc/26/10/33/892261033.db2.gz IJQFGNNOMDPBPF-UHFFFAOYSA-N 0 3 296.371 -1.030 20 0 CAADHN CN(C)CC1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1 ZINC001468178764 892264831 /nfs/dbraw/zinc/26/48/31/892264831.db2.gz KDTYVUUKASWBAP-VIFPVBQESA-N 0 3 289.357 -2.080 20 0 CAADHN CN1C[C@@H](O)C[C@]1(C)C(=O)NCc1n[nH]c(=O)n1C ZINC001469511195 892297569 /nfs/dbraw/zinc/29/75/69/892297569.db2.gz DZFUFDDHGWUQAB-WRWORJQWSA-N 0 3 269.305 -1.408 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@@]1(C)CN2CCC1CC2)C(N)=O ZINC001469997057 892304032 /nfs/dbraw/zinc/30/40/32/892304032.db2.gz BLKSNVVLZBJQJS-FZMZJTMJSA-N 0 3 296.371 -1.033 20 0 CAADHN CCN(CC)CC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001470559263 892319334 /nfs/dbraw/zinc/31/93/34/892319334.db2.gz KNSVIJIQKDQNIV-IUCAKERBSA-N 0 3 270.333 -1.627 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NCCN1CC[C@H](O)C1 ZINC001470844769 892336277 /nfs/dbraw/zinc/33/62/77/892336277.db2.gz PEMHTQOLLHCRHX-YUMQZZPRSA-N 0 3 270.289 -2.233 20 0 CAADHN CN(C)C(=O)/C=C/C(=O)NCCN1CC[C@H](O)C1 ZINC001470844730 892338683 /nfs/dbraw/zinc/33/86/83/892338683.db2.gz OMUJCJCBILLNFB-FSIBCCDJSA-N 0 3 255.318 -1.186 20 0 CAADHN COC(=O)COCCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC001471003163 892340537 /nfs/dbraw/zinc/34/05/37/892340537.db2.gz WSSNVOMMSRDHCV-LBPRGKRZSA-N 0 3 289.332 -1.458 20 0 CAADHN COC(=O)COCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC001471003161 892342932 /nfs/dbraw/zinc/34/29/32/892342932.db2.gz WSSNVOMMSRDHCV-GFCCVEGCSA-N 0 3 289.332 -1.458 20 0 CAADHN CCN1CCN(CCC(=O)N2CC(C(N)=O)C2)CC1 ZINC001471357760 892353544 /nfs/dbraw/zinc/35/35/44/892353544.db2.gz JMPCJDUHEGYTNA-UHFFFAOYSA-N 0 3 268.361 -1.042 20 0 CAADHN CN(CCNC(=O)Cn1nccc1N)CCOCCO ZINC001471517208 892361351 /nfs/dbraw/zinc/36/13/51/892361351.db2.gz ITILSVGLJCKZMY-UHFFFAOYSA-N 0 3 285.348 -1.478 20 0 CAADHN CN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC001472028139 892379711 /nfs/dbraw/zinc/37/97/11/892379711.db2.gz AIRZHMZFUVLABC-QMMMGPOBSA-N 0 3 280.332 -1.167 20 0 CAADHN CN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C(C)(C)C1 ZINC001472028136 892380628 /nfs/dbraw/zinc/38/06/28/892380628.db2.gz AIRZHMZFUVLABC-MRVPVSSYSA-N 0 3 280.332 -1.167 20 0 CAADHN NC(=O)c1nccnc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001472080700 892382301 /nfs/dbraw/zinc/38/23/01/892382301.db2.gz WKGPEJQIWDNCLL-MRVPVSSYSA-N 0 3 291.311 -1.222 20 0 CAADHN NC(=O)c1nccnc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001472080701 892383792 /nfs/dbraw/zinc/38/37/92/892383792.db2.gz WKGPEJQIWDNCLL-QMMMGPOBSA-N 0 3 291.311 -1.222 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001472082973 892384142 /nfs/dbraw/zinc/38/41/42/892384142.db2.gz AAJJUTDUJIBPES-SFGNSQDASA-N 0 3 253.302 -1.303 20 0 CAADHN O=C(Cn1cnnn1)N1CC(N[C@@H]2CCOC2)C1 ZINC001472080924 892385350 /nfs/dbraw/zinc/38/53/50/892385350.db2.gz ZDKGFNRFRAKRFU-MRVPVSSYSA-N 0 3 252.278 -1.738 20 0 CAADHN CN1CCN(CC(=O)NCCc2nc[nH]n2)CC1 ZINC001472510333 892401111 /nfs/dbraw/zinc/40/11/11/892401111.db2.gz RZBKLAFREQQJBX-UHFFFAOYSA-N 0 3 252.322 -1.289 20 0 CAADHN C[C@]1(C2CCN(C[C@H](O)CO)CC2)NC(=O)NC1=O ZINC001473210848 892410101 /nfs/dbraw/zinc/41/01/01/892410101.db2.gz DUHFONDRPLEFGL-JOYOIKCWSA-N 0 3 271.317 -1.350 20 0 CAADHN C[C@@]1(C2CCN(C[C@H](O)CO)CC2)NC(=O)NC1=O ZINC001473210842 892411766 /nfs/dbraw/zinc/41/17/66/892411766.db2.gz DUHFONDRPLEFGL-CABZTGNLSA-N 0 3 271.317 -1.350 20 0 CAADHN C[C@@H]1CN(C[C@H](O)C[C@@]2(O)CCOC2)CCN1CCO ZINC001473412171 892413333 /nfs/dbraw/zinc/41/33/33/892413333.db2.gz NSWFCINMWWGJKW-MCIONIFRSA-N 0 3 288.388 -1.113 20 0 CAADHN C[C@@H]1CN(C[C@H](O)C2(O)CCOCC2)CCN1CCO ZINC001473411906 892414039 /nfs/dbraw/zinc/41/40/39/892414039.db2.gz JJRZYXBKQDAEGD-OLZOCXBDSA-N 0 3 288.388 -1.113 20 0 CAADHN Cn1cc([C@@H](CO)NCC2CN(S(C)(=O)=O)C2)cn1 ZINC001473360685 892414165 /nfs/dbraw/zinc/41/41/65/892414165.db2.gz CEJDPVBQFJXBJO-LLVKDONJSA-N 0 3 288.373 -1.066 20 0 CAADHN NC(=O)N[C@H]1CCN(C[C@@H](O)C2(O)CCOCC2)C1 ZINC001473349205 892414279 /nfs/dbraw/zinc/41/42/79/892414279.db2.gz SNVSDFZHHWEHFK-VHSXEESVSA-N 0 3 273.333 -1.369 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)C2(O)CCOCC2)CCN1CCO ZINC001473411905 892414470 /nfs/dbraw/zinc/41/44/70/892414470.db2.gz JJRZYXBKQDAEGD-CHWSQXEVSA-N 0 3 288.388 -1.113 20 0 CAADHN CNS(=O)(=O)NC1CCN(C[C@H](O)C(C)(C)O)CC1 ZINC001473443731 892414630 /nfs/dbraw/zinc/41/46/30/892414630.db2.gz JVNJYNZRRFGUKV-JTQLQIEISA-N 0 3 295.405 -1.364 20 0 CAADHN C[C@@H]1CN(C[C@H](O)C[C@]2(O)CCOC2)CCN1CCO ZINC001473412172 892415021 /nfs/dbraw/zinc/41/50/21/892415021.db2.gz NSWFCINMWWGJKW-MGPQQGTHSA-N 0 3 288.388 -1.113 20 0 CAADHN OC[C@@H]1CCN(C[C@@H](O)CC2(O)CCOCC2)C[C@H]1O ZINC001473443436 892416182 /nfs/dbraw/zinc/41/61/82/892416182.db2.gz YBGGIWMFIDFPDV-RWMBFGLXSA-N 0 3 289.372 -1.046 20 0 CAADHN CC1(C)NC(=O)N(CCN2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1=O ZINC001473489436 892417730 /nfs/dbraw/zinc/41/77/30/892417730.db2.gz JGPUHUWGXCJGOK-OCAPTIKFSA-N 0 3 294.311 -1.479 20 0 CAADHN OC[C@@H]1CN(C[C@H](O)CC2(O)CCOCC2)C[C@H]1O ZINC001473538634 892418292 /nfs/dbraw/zinc/41/82/92/892418292.db2.gz UVJVRFXGOUIMEF-QJPTWQEYSA-N 0 3 275.345 -1.436 20 0 CAADHN OCC1(O)CCN(C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001473626122 892421661 /nfs/dbraw/zinc/42/16/61/892421661.db2.gz ICMVITBZLBKMFM-DGCLKSJQSA-N 0 3 275.345 -1.292 20 0 CAADHN CC(C)N(C)C(=O)[C@H](C)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001473642288 892422770 /nfs/dbraw/zinc/42/27/70/892422770.db2.gz INKLYIWJGMDOMS-LPEHRKFASA-N 0 3 284.360 -1.240 20 0 CAADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001473642289 892423591 /nfs/dbraw/zinc/42/35/91/892423591.db2.gz INKLYIWJGMDOMS-OPRDCNLKSA-N 0 3 284.360 -1.240 20 0 CAADHN OCC1(O)CCN(C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001473626126 892424013 /nfs/dbraw/zinc/42/40/13/892424013.db2.gz ICMVITBZLBKMFM-YPMHNXCESA-N 0 3 275.345 -1.292 20 0 CAADHN C[C@H](O)[C@H](O)CN1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001473777144 892426494 /nfs/dbraw/zinc/42/64/94/892426494.db2.gz XHCYSNXWFJPYIF-LPEHRKFASA-N 0 3 266.363 -1.401 20 0 CAADHN COCCN(C)C[C@@H](O)C[N@H+]1CC[C@H](c2nnn[n-]2)C1 ZINC001473753299 892428057 /nfs/dbraw/zinc/42/80/57/892428057.db2.gz WGINCKSQZRZBNX-WDEREUQCSA-N 0 3 284.364 -1.072 20 0 CAADHN COCCN(C)C[C@@H](O)C[N@@H+]1CC[C@H](c2nnn[n-]2)C1 ZINC001473753299 892428052 /nfs/dbraw/zinc/42/80/52/892428052.db2.gz WGINCKSQZRZBNX-WDEREUQCSA-N 0 3 284.364 -1.072 20 0 CAADHN CC[C@H](CO)[NH2+]Cc1nc2c([n-]1)n(C)c(=O)n(C)c2=O ZINC001473801318 892428249 /nfs/dbraw/zinc/42/82/49/892428249.db2.gz FHYFOCXXCIOFSA-SSDOTTSWSA-N 0 3 281.316 -1.179 20 0 CAADHN NC(=O)Cn1cc(CNC[C@@H]2CCCCN2CCO)nn1 ZINC001474156369 892429643 /nfs/dbraw/zinc/42/96/43/892429643.db2.gz VWLKUYJMWZSIBQ-LBPRGKRZSA-N 0 3 296.375 -1.300 20 0 CAADHN OC[C@@]12COCCN1CCN(C[C@@]1(O)CCCOC1)C2 ZINC001473831854 892430532 /nfs/dbraw/zinc/43/05/32/892430532.db2.gz DTBJONALZTUQJH-KBPBESRZSA-N 0 3 286.372 -1.093 20 0 CAADHN CNC(=O)NC(=O)CCN[C@@H]1C(=O)NCC12CCOCC2 ZINC001473830983 892431897 /nfs/dbraw/zinc/43/18/97/892431897.db2.gz UJIFYPHWTDVUEW-SNVBAGLBSA-N 0 3 298.343 -1.283 20 0 CAADHN NS(=O)(=O)C[C@H]1CCN(CCOCCO)C1 ZINC001473850746 892432282 /nfs/dbraw/zinc/43/22/82/892432282.db2.gz VJAXSHDRCYYWTN-VIFPVBQESA-N 0 3 252.336 -1.394 20 0 CAADHN NC(=O)[C@H]1CN(Cc2cnc3n2CCC3)C[C@@H]1C(N)=O ZINC001474650371 892433940 /nfs/dbraw/zinc/43/39/40/892433940.db2.gz SKJXHZJRTLNGEK-UWVGGRQHSA-N 0 3 277.328 -1.152 20 0 CAADHN Cc1ncc(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)n1C ZINC001474650396 892434336 /nfs/dbraw/zinc/43/43/36/892434336.db2.gz SYYNRYBJSJMDNR-UWVGGRQHSA-N 0 3 265.317 -1.253 20 0 CAADHN CS(=O)(=O)C1CC(NC[C@@]2(O)CCS(=O)(=O)C2)C1 ZINC001474526298 892436201 /nfs/dbraw/zinc/43/62/01/892436201.db2.gz BETDXRPHKGPCEX-RTBKNWGFSA-N 0 3 297.398 -1.299 20 0 CAADHN CN(C)CCCS(=O)(=O)N[C@H]1CCC(=O)NC1=O ZINC001475120806 892438438 /nfs/dbraw/zinc/43/84/38/892438438.db2.gz JOIGLOLCOKOHSG-QMMMGPOBSA-N 0 3 277.346 -1.337 20 0 CAADHN COCC[C@H](NS(=O)(=O)CCCN(C)C)C(N)=O ZINC001475134328 892438789 /nfs/dbraw/zinc/43/87/89/892438789.db2.gz CLVGYHWXQHWYKI-VIFPVBQESA-N 0 3 281.378 -1.252 20 0 CAADHN CN(CCO)CCNC(=O)Nc1cn(C)nc1C(N)=O ZINC001477053222 892452516 /nfs/dbraw/zinc/45/25/16/892452516.db2.gz JNFYNZMPDMEXAJ-UHFFFAOYSA-N 0 3 284.320 -1.435 20 0 CAADHN COCCN(C)CCNC(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001477738471 892455103 /nfs/dbraw/zinc/45/51/03/892455103.db2.gz INRGLZIWTOVUHD-NEPJUHHUSA-N 0 3 289.376 -1.051 20 0 CAADHN COCCN(C)CCNC(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001477738474 892455272 /nfs/dbraw/zinc/45/52/72/892455272.db2.gz INRGLZIWTOVUHD-VXGBXAGGSA-N 0 3 289.376 -1.051 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCCCS(N)(=O)=O)C1 ZINC001478891371 892467011 /nfs/dbraw/zinc/46/70/11/892467011.db2.gz MBFFLHXGUPLGLY-JTQLQIEISA-N 0 3 294.377 -1.969 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001479738625 892478793 /nfs/dbraw/zinc/47/87/93/892478793.db2.gz KHPPTFDHAILMPI-WDEREUQCSA-N 0 3 287.360 -1.208 20 0 CAADHN CN(CCOCCN(C)C(=O)C(N)=O)CCn1cccn1 ZINC001479679580 892479088 /nfs/dbraw/zinc/47/90/88/892479088.db2.gz NWQQKSZTUKIKMW-UHFFFAOYSA-N 0 3 297.359 -1.225 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN(C)S(C)(=O)=O)CCN1CCO ZINC001479707823 892479118 /nfs/dbraw/zinc/47/91/18/892479118.db2.gz LUPMMWMBYMCHTQ-ZJUUUORDSA-N 0 3 293.389 -1.551 20 0 CAADHN CCCC[C@H](C(N)=O)N(C)CCCNC(=O)C(N)=O ZINC001479793136 892481950 /nfs/dbraw/zinc/48/19/50/892481950.db2.gz FDUFHUZUWNQRBH-SECBINFHSA-N 0 3 272.349 -1.046 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)C(N)=O ZINC001479829367 892484846 /nfs/dbraw/zinc/48/48/46/892484846.db2.gz MRUKAEIHWNHMLC-SFYZADRCSA-N 0 3 256.306 -1.684 20 0 CAADHN CCN(CCCNC(=O)[C@@H]1CCC(=O)N1)[C@H](C)C(N)=O ZINC001479860045 892485674 /nfs/dbraw/zinc/48/56/74/892485674.db2.gz PSZRONCIRBQWEB-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CCCNC(=O)Cc1nnc(C)[nH]1)CC(N)=O ZINC001479843786 892485886 /nfs/dbraw/zinc/48/58/86/892485886.db2.gz MZBQSPGNPYGNSQ-UHFFFAOYSA-N 0 3 282.348 -1.031 20 0 CAADHN CC[C@@H](C(N)=O)N(CCCNC(=O)C(N)=O)C1CC1 ZINC001479874884 892486471 /nfs/dbraw/zinc/48/64/71/892486471.db2.gz GNEBQLKCHMRDEC-VIFPVBQESA-N 0 3 270.333 -1.294 20 0 CAADHN CCN(CCCNC(=O)C(N)=O)[C@@H]1CCNC1=O ZINC001479853710 892486584 /nfs/dbraw/zinc/48/65/84/892486584.db2.gz UIGRUIDJHVOIRP-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)C(N)=O ZINC001479829365 892487341 /nfs/dbraw/zinc/48/73/41/892487341.db2.gz MRUKAEIHWNHMLC-HTQZYQBOSA-N 0 3 256.306 -1.684 20 0 CAADHN CCN(CCCNC(=O)[C@H]1CCC(=O)N1)[C@@H]1CCNC1=O ZINC001479839085 892487639 /nfs/dbraw/zinc/48/76/39/892487639.db2.gz LOMHGZKLNYNUMV-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(CCCNC(=O)[C@H]1CNC(=O)N1)[C@@H](C)C(N)=O ZINC001479852411 892488028 /nfs/dbraw/zinc/48/80/28/892488028.db2.gz HYUFNLSZXXQYCO-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN O=C(CNC(=O)C1CC1)N[C@H]1CCN(CCO)C1 ZINC001479946389 892489626 /nfs/dbraw/zinc/48/96/26/892489626.db2.gz KTHIZHYLJYYFIA-JTQLQIEISA-N 0 3 255.318 -1.305 20 0 CAADHN Cc1nn[n-]c1C(=O)N[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001479959867 892491581 /nfs/dbraw/zinc/49/15/81/892491581.db2.gz NDNQNVWJYGPBLF-SNVBAGLBSA-N 0 3 283.332 -1.074 20 0 CAADHN Cc1nn[n-]c1C(=O)N[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001479959867 892491587 /nfs/dbraw/zinc/49/15/87/892491587.db2.gz NDNQNVWJYGPBLF-SNVBAGLBSA-N 0 3 283.332 -1.074 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001479949181 892491758 /nfs/dbraw/zinc/49/17/58/892491758.db2.gz IANXRNSVSQUDCY-IUCAKERBSA-N 0 3 259.306 -1.940 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001479949180 892491782 /nfs/dbraw/zinc/49/17/82/892491782.db2.gz IANXRNSVSQUDCY-DTWKUNHWSA-N 0 3 259.306 -1.940 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001480021797 892493369 /nfs/dbraw/zinc/49/33/69/892493369.db2.gz INDIDEXJQIXLLR-SECBINFHSA-N 0 3 289.357 -1.999 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001480021803 892493400 /nfs/dbraw/zinc/49/34/00/892493400.db2.gz INDIDEXJQIXLLR-VIFPVBQESA-N 0 3 289.357 -1.999 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001480016534 892493422 /nfs/dbraw/zinc/49/34/22/892493422.db2.gz DZUGNGZHALIKFR-MWLCHTKSSA-N 0 3 257.334 -1.027 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001480005685 892493643 /nfs/dbraw/zinc/49/36/43/892493643.db2.gz UYBLXFGFNYOLMM-ZJUUUORDSA-N 0 3 271.317 -1.629 20 0 CAADHN COCCC(=O)NC[C@H](NCC(=O)NC(N)=O)C1CC1 ZINC001479997165 892493764 /nfs/dbraw/zinc/49/37/64/892493764.db2.gz FTTZXMRWVTWIIP-VIFPVBQESA-N 0 3 286.332 -1.298 20 0 CAADHN Cn1cc(CC(=O)NC[C@@H](NCC(N)=O)C2CC2)cn1 ZINC001480008093 892493808 /nfs/dbraw/zinc/49/38/08/892493808.db2.gz HQPLBHSJPCVPLL-LLVKDONJSA-N 0 3 279.344 -1.068 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001480019027 892494184 /nfs/dbraw/zinc/49/41/84/892494184.db2.gz ZBXATIPPIRSDIM-VIFPVBQESA-N 0 3 280.332 -1.119 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001480013896 892493907 /nfs/dbraw/zinc/49/39/07/892493907.db2.gz BGTHPVDVDBBOSW-VIFPVBQESA-N 0 3 270.333 -1.518 20 0 CAADHN Cn1ccc(CC(=O)NC[C@H](NCC(N)=O)C2CC2)n1 ZINC001480019307 892494012 /nfs/dbraw/zinc/49/40/12/892494012.db2.gz CUBHYIPDOOAYAS-NSHDSACASA-N 0 3 279.344 -1.068 20 0 CAADHN CNC(=O)[C@H](C)N1CCC2(C[C@@H]2NC(=O)CC(N)=O)CC1 ZINC001479977914 892494415 /nfs/dbraw/zinc/49/44/15/892494415.db2.gz IQWNMVDXLWCBRL-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001480013895 892494444 /nfs/dbraw/zinc/49/44/44/892494444.db2.gz BGTHPVDVDBBOSW-SECBINFHSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CCn1cncn1)C1CC1 ZINC001480004218 892494532 /nfs/dbraw/zinc/49/45/32/892494532.db2.gz WPNRLIUYHPNYKD-LLVKDONJSA-N 0 3 294.359 -1.101 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C(C)(C)C(N)=O)C1CC1 ZINC001480025779 892494609 /nfs/dbraw/zinc/49/46/09/892494609.db2.gz FAEQQFLIDACGCN-VIFPVBQESA-N 0 3 284.360 -1.272 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001480018047 892494676 /nfs/dbraw/zinc/49/46/76/892494676.db2.gz NTTOQDMFQUQAKJ-RKDXNWHRSA-N 0 3 284.316 -1.675 20 0 CAADHN CNC(=O)[C@@H](C)N1CCC2(C[C@H]2NC(=O)CC(N)=O)CC1 ZINC001479977912 892494746 /nfs/dbraw/zinc/49/47/46/892494746.db2.gz IQWNMVDXLWCBRL-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1ncn(C)n1)C1CC1 ZINC001480018880 892494788 /nfs/dbraw/zinc/49/47/88/892494788.db2.gz XEGXAPBQGWBSLB-VIFPVBQESA-N 0 3 280.332 -1.341 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC1=O ZINC001480029653 892494845 /nfs/dbraw/zinc/49/48/45/892494845.db2.gz HQNWRINBQNVVDJ-GHMZBOCLSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001480021326 892494974 /nfs/dbraw/zinc/49/49/74/892494974.db2.gz OHCDBFZNIYKASH-SECBINFHSA-N 0 3 281.320 -2.097 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001480018043 892495107 /nfs/dbraw/zinc/49/51/07/892495107.db2.gz NTTOQDMFQUQAKJ-IUCAKERBSA-N 0 3 284.316 -1.675 20 0 CAADHN C[C@H](N[C@H](CNC(=O)c1ncn(C)n1)C1CC1)C(N)=O ZINC001480018741 892495124 /nfs/dbraw/zinc/49/51/24/892495124.db2.gz WHANAHFFMYGQNP-IONNQARKSA-N 0 3 280.332 -1.213 20 0 CAADHN Cn1cc(CCC(=O)N[C@H]2CCN(CCO)C2)nn1 ZINC001479974453 892495167 /nfs/dbraw/zinc/49/51/67/892495167.db2.gz VZQMSHBXOLXSQN-JTQLQIEISA-N 0 3 267.333 -1.070 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)c1ncn(C)n1)C1CC1)C(N)=O ZINC001480018742 892495182 /nfs/dbraw/zinc/49/51/82/892495182.db2.gz WHANAHFFMYGQNP-VXNVDRBHSA-N 0 3 280.332 -1.213 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC1=O ZINC001480029658 892495282 /nfs/dbraw/zinc/49/52/82/892495282.db2.gz HQNWRINBQNVVDJ-WDEREUQCSA-N 0 3 296.371 -1.176 20 0 CAADHN CN1CC[C@@H](N[C@H](CNC(=O)CC(N)=O)C2CC2)C1=O ZINC001480009822 892495314 /nfs/dbraw/zinc/49/53/14/892495314.db2.gz DJPXUHQUZPBCIW-NXEZZACHSA-N 0 3 282.344 -1.423 20 0 CAADHN Cn1cc(CCC(=O)N[C@@H]2CCN(CCO)C2)nn1 ZINC001479974455 892495529 /nfs/dbraw/zinc/49/55/29/892495529.db2.gz VZQMSHBXOLXSQN-SNVBAGLBSA-N 0 3 267.333 -1.070 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001480015395 892495575 /nfs/dbraw/zinc/49/55/75/892495575.db2.gz JERVGPJSZNOFQB-CBAPKCEASA-N 0 3 285.348 -1.726 20 0 CAADHN CC[C@@]1(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CCNC1=O ZINC001480029072 892495648 /nfs/dbraw/zinc/49/56/48/892495648.db2.gz ZKYQQDKOCCSAQF-QMTHXVAHSA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@H]1COCCO1)C1CC1 ZINC001480005682 892495677 /nfs/dbraw/zinc/49/56/77/892495677.db2.gz UYBLXFGFNYOLMM-NXEZZACHSA-N 0 3 271.317 -1.629 20 0 CAADHN C[C@]1(C(=O)NC[C@H](NCC(N)=O)C2CC2)CCNC1=O ZINC001480045871 892496978 /nfs/dbraw/zinc/49/69/78/892496978.db2.gz AQSAEIJCFVBZNN-ZANVPECISA-N 0 3 282.344 -1.518 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](N[C@H]2CCNC2=O)C2CC2)n1 ZINC001480054095 892497241 /nfs/dbraw/zinc/49/72/41/892497241.db2.gz SUGUBDJWYPAOFD-UWVGGRQHSA-N 0 3 292.343 -1.198 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CC(N)=O)C1)C(=O)N(C)C ZINC001480107392 892497334 /nfs/dbraw/zinc/49/73/34/892497334.db2.gz XTTGBPYOGBCINQ-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](N[C@@H]2CCNC2=O)C2CC2)n1 ZINC001480054098 892497359 /nfs/dbraw/zinc/49/73/59/892497359.db2.gz SUGUBDJWYPAOFD-ZJUUUORDSA-N 0 3 292.343 -1.198 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 ZINC001480068959 892497500 /nfs/dbraw/zinc/49/75/00/892497500.db2.gz VOPKOKUQQKEILU-RKDXNWHRSA-N 0 3 296.327 -1.991 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](N[C@H]2CCNC2=O)C2CC2)n1 ZINC001480054097 892497513 /nfs/dbraw/zinc/49/75/13/892497513.db2.gz SUGUBDJWYPAOFD-VHSXEESVSA-N 0 3 292.343 -1.198 20 0 CAADHN CCN1C[C@@H](C(=O)N2CC[C@H](NCC(=O)NC)C2)CC1=O ZINC001480110950 892497547 /nfs/dbraw/zinc/49/75/47/892497547.db2.gz MVAPCGTYEGNAPZ-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001480108439 892497592 /nfs/dbraw/zinc/49/75/92/892497592.db2.gz PLEMGZGDLRTWOX-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN NC(=O)C(=O)NC[C@@H](NCC(=O)N1CCCC1)C1CC1 ZINC001480042819 892497665 /nfs/dbraw/zinc/49/76/65/892497665.db2.gz HRNNYCMPMWZJJT-SNVBAGLBSA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2ncnn2)C1)C(=O)N(C)C ZINC001480110086 892497708 /nfs/dbraw/zinc/49/77/08/892497708.db2.gz YJVZYGFISAHVEP-ZJUUUORDSA-N 0 3 295.347 -1.660 20 0 CAADHN NC(=O)C(=O)NC[C@H](NCC(=O)N1CCOCC1)C1CC1 ZINC001480043590 892497763 /nfs/dbraw/zinc/49/77/63/892497763.db2.gz LQJOJQRETRGEFH-JTQLQIEISA-N 0 3 298.343 -2.185 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001480039278 892497998 /nfs/dbraw/zinc/49/79/98/892497998.db2.gz ZSIPLQIUWPXSCW-NXEZZACHSA-N 0 3 282.344 -1.647 20 0 CAADHN NC(=O)C1(C(=O)NC[C@H](N[C@@H]2CCNC2=O)C2CC2)CC1 ZINC001480043031 892498170 /nfs/dbraw/zinc/49/81/70/892498170.db2.gz IWAURDXDCWGODQ-ZJUUUORDSA-N 0 3 294.355 -1.375 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CCC1 ZINC001480056617 892498278 /nfs/dbraw/zinc/49/82/78/892498278.db2.gz DTUIGQAANAMWQA-SNVBAGLBSA-N 0 3 296.371 -1.128 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001480108037 892498287 /nfs/dbraw/zinc/49/82/87/892498287.db2.gz WHCWDBOVPQKFGH-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001480108909 892498345 /nfs/dbraw/zinc/49/83/45/892498345.db2.gz VPPAQEBPGHCDSW-LPEHRKFASA-N 0 3 297.359 -1.536 20 0 CAADHN NC(=O)C(=O)NC[C@@H](NCC(=O)N1CCOCC1)C1CC1 ZINC001480043594 892498622 /nfs/dbraw/zinc/49/86/22/892498622.db2.gz LQJOJQRETRGEFH-SNVBAGLBSA-N 0 3 298.343 -2.185 20 0 CAADHN C[C@H](N[C@H](CNC(=O)C(=O)NCC1CC1)C1CC1)C(N)=O ZINC001480054922 892498686 /nfs/dbraw/zinc/49/86/86/892498686.db2.gz GREGLQDBSVSZMY-GZMMTYOYSA-N 0 3 296.371 -1.129 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001480115376 892500974 /nfs/dbraw/zinc/50/09/74/892500974.db2.gz HXJDHDMDRXVLHJ-DCAQKATOSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001480114604 892501103 /nfs/dbraw/zinc/50/11/03/892501103.db2.gz AIMZNHDBCXMHBH-IUCAKERBSA-N 0 3 268.317 -1.941 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CCNC(N)=O)C1)C(=O)N(C)C ZINC001480121220 892501522 /nfs/dbraw/zinc/50/15/22/892501522.db2.gz KEJUSRKINIAZRH-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN CCOCCOCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001480122665 892502321 /nfs/dbraw/zinc/50/23/21/892502321.db2.gz QJXNDPZDLCYTQR-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN C[C@H](N[C@H]1C[C@@H](NC(=O)CCS(C)(=O)=O)C1)C(N)=O ZINC001480212081 892506867 /nfs/dbraw/zinc/50/68/67/892506867.db2.gz ZELTUZIBMYOEDR-XHNCKOQMSA-N 0 3 291.373 -1.468 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N[C@H]1C[C@@H](NCC(N)=O)C1 ZINC001480237087 892507652 /nfs/dbraw/zinc/50/76/52/892507652.db2.gz LSUDWFRXUXEEIN-DTORHVGOSA-N 0 3 291.373 -1.468 20 0 CAADHN Cc1nc(CC(=O)NC[C@H]2CCCN(CC(N)=O)C2)n[nH]1 ZINC001480252545 892508692 /nfs/dbraw/zinc/50/86/92/892508692.db2.gz MYVOGEQCDBYGDA-SNVBAGLBSA-N 0 3 294.359 -1.031 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)Cn1cncn1 ZINC001480367391 892512243 /nfs/dbraw/zinc/51/22/43/892512243.db2.gz LFXMZXXULQWEPW-SNVBAGLBSA-N 0 3 280.332 -1.266 20 0 CAADHN CO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001480389547 892512265 /nfs/dbraw/zinc/51/22/65/892512265.db2.gz CCHSOWSDXOUVEI-DSPMHBFJSA-N 0 3 295.339 -1.127 20 0 CAADHN CCCNC(=O)NC(=O)CN[C@H](C)CNC(=O)COC ZINC001480412860 892512291 /nfs/dbraw/zinc/51/22/91/892512291.db2.gz NJJVTGFIHRWZJK-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)NCC(=O)NC ZINC001480436139 892513527 /nfs/dbraw/zinc/51/35/27/892513527.db2.gz ODARZIHURLZNSF-QMMMGPOBSA-N 0 3 258.322 -1.647 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CN(C)C(C)=O)C(N)=O ZINC001480428217 892513602 /nfs/dbraw/zinc/51/36/02/892513602.db2.gz CGPWIAOERRWMMV-SCZZXKLOSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)COC(C)C ZINC001480435226 892513643 /nfs/dbraw/zinc/51/36/43/892513643.db2.gz RFLQJNSHLFUXBA-SECBINFHSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CNC(=O)c1ccon1)N[C@H](C)C(=O)NC(N)=O ZINC001480430464 892513658 /nfs/dbraw/zinc/51/36/58/892513658.db2.gz MPKPGZFEIWUQRF-RNFRBKRXSA-N 0 3 283.288 -1.034 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1nccnc1N ZINC001480437109 892513786 /nfs/dbraw/zinc/51/37/86/892513786.db2.gz DEBNKHROGHLROH-ZETCQYMHSA-N 0 3 266.305 -1.487 20 0 CAADHN C[C@@H](CNC(=O)C1=COCCO1)N[C@H]1CCNC1=O ZINC001480421588 892514031 /nfs/dbraw/zinc/51/40/31/892514031.db2.gz VDMSKLLHVIMXCY-IUCAKERBSA-N 0 3 269.301 -1.143 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1)N[C@H]1CCC(=O)NC1=O ZINC001480422202 892514133 /nfs/dbraw/zinc/51/41/33/892514133.db2.gz QECJOKDNXSPXDN-WPRPVWTQSA-N 0 3 293.327 -1.067 20 0 CAADHN C[C@H](CNC(=O)CS(C)(=O)=O)N[C@H](C)C(=O)N(C)C ZINC001480431773 892514305 /nfs/dbraw/zinc/51/43/05/892514305.db2.gz COKTYDSVDYKXSY-RKDXNWHRSA-N 0 3 293.389 -1.398 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCC(=O)NC1=O ZINC001480417452 892514317 /nfs/dbraw/zinc/51/43/17/892514317.db2.gz WGZMPRLETDDIEH-CBAPKCEASA-N 0 3 284.316 -1.978 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CN(C)C(C)=O)C(N)=O ZINC001480428219 892514536 /nfs/dbraw/zinc/51/45/36/892514536.db2.gz CGPWIAOERRWMMV-WPRPVWTQSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001480434592 892514604 /nfs/dbraw/zinc/51/46/04/892514604.db2.gz XHZDUIDZDPDAOQ-SSDOTTSWSA-N 0 3 265.335 -2.129 20 0 CAADHN C[C@@H](CNC(=O)C(C)(F)F)NCC(=O)NC(N)=O ZINC001480415599 892514710 /nfs/dbraw/zinc/51/47/10/892514710.db2.gz NNJMHUNBZRMVDD-YFKPBYRVSA-N 0 3 266.248 -1.069 20 0 CAADHN C[C@H](CNC(=O)c1ccon1)N[C@@H](C)C(=O)NC(N)=O ZINC001480430465 892514919 /nfs/dbraw/zinc/51/49/19/892514919.db2.gz MPKPGZFEIWUQRF-RQJHMYQMSA-N 0 3 283.288 -1.034 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001480415503 892515103 /nfs/dbraw/zinc/51/51/03/892515103.db2.gz HKAODZNPAQNZPM-VXNVDRBHSA-N 0 3 256.306 -1.895 20 0 CAADHN C[C@@H](CNC(=O)Cn1cccn1)N[C@@H]1CCC(=O)NC1=O ZINC001480424303 892515173 /nfs/dbraw/zinc/51/51/73/892515173.db2.gz XZUDFAQUSDGCLO-VHSXEESVSA-N 0 3 293.327 -1.217 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cc(C)n[nH]1 ZINC001480430679 892515552 /nfs/dbraw/zinc/51/55/52/892515552.db2.gz QXIOOPRPFCXNOA-QMMMGPOBSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1)N[C@H]1CCC(=O)NC1=O ZINC001480422200 892515577 /nfs/dbraw/zinc/51/55/77/892515577.db2.gz QECJOKDNXSPXDN-SCZZXKLOSA-N 0 3 293.327 -1.067 20 0 CAADHN C[C@H](CNC(=O)C(C)(F)F)NCC(=O)NC(N)=O ZINC001480415595 892515596 /nfs/dbraw/zinc/51/55/96/892515596.db2.gz NNJMHUNBZRMVDD-RXMQYKEDSA-N 0 3 266.248 -1.069 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CNC(=O)OC)C(N)=O ZINC001480431555 892515798 /nfs/dbraw/zinc/51/57/98/892515798.db2.gz YHPXGQKRSZPKRP-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CNC(C)=O ZINC001480415736 892516128 /nfs/dbraw/zinc/51/61/28/892516128.db2.gz IQGCZHLMSCLHOY-SFYZADRCSA-N 0 3 258.322 -1.649 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cnnn1C ZINC001480455162 892517043 /nfs/dbraw/zinc/51/70/43/892517043.db2.gz ZOAMVPWQLNVALG-SSDOTTSWSA-N 0 3 254.294 -1.731 20 0 CAADHN C[C@H](CNC(=O)c1cnnn1C)N[C@H]1CCNC1=O ZINC001480455611 892517149 /nfs/dbraw/zinc/51/71/49/892517149.db2.gz WLYNGDSZASUYPH-SFYZADRCSA-N 0 3 266.305 -1.589 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cnnn1C ZINC001480455169 892517213 /nfs/dbraw/zinc/51/72/13/892517213.db2.gz ZOAMVPWQLNVALG-ZETCQYMHSA-N 0 3 254.294 -1.731 20 0 CAADHN C[C@@H](CNC(=O)c1cnnn1C)N[C@H]1CCNC1=O ZINC001480455612 892517467 /nfs/dbraw/zinc/51/74/67/892517467.db2.gz WLYNGDSZASUYPH-YUMQZZPRSA-N 0 3 266.305 -1.589 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H](C)NCCS(C)(=O)=O ZINC001480449296 892517623 /nfs/dbraw/zinc/51/76/23/892517623.db2.gz YYSJXIXSWVDGNN-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cnn(C)c1N)C(N)=O ZINC001480448486 892517836 /nfs/dbraw/zinc/51/78/36/892517836.db2.gz KCMIPWQJPPCOFB-NKWVEPMBSA-N 0 3 268.321 -1.416 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](C)N[C@@H]2CCN(C)C2=O)C1 ZINC001480452836 892517941 /nfs/dbraw/zinc/51/79/41/892517941.db2.gz QAHZCHYOJHVNRF-BXKDBHETSA-N 0 3 296.371 -1.210 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ncc[nH]1 ZINC001480457845 892518039 /nfs/dbraw/zinc/51/80/39/892518039.db2.gz RDNNUEIDJUBIHZ-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001480453196 892518155 /nfs/dbraw/zinc/51/81/55/892518155.db2.gz APTJUGOWVZZUFZ-YUMQZZPRSA-N 0 3 268.321 -1.213 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1N)N[C@@H](C)C(N)=O ZINC001480448489 892518172 /nfs/dbraw/zinc/51/81/72/892518172.db2.gz KCMIPWQJPPCOFB-RQJHMYQMSA-N 0 3 268.321 -1.416 20 0 CAADHN C[C@@H](CNC(=O)c1cnnn1C)N[C@@H]1CCN(C)C1=O ZINC001480453428 892518235 /nfs/dbraw/zinc/51/82/35/892518235.db2.gz LTAQCFIWOKALMY-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNC(=O)c1nccnc1N)NCC(N)=O ZINC001480440122 892518255 /nfs/dbraw/zinc/51/82/55/892518255.db2.gz TUOMERSZPSLBGG-LURJTMIESA-N 0 3 252.278 -1.748 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)NCCS(C)(=O)=O ZINC001480455541 892518495 /nfs/dbraw/zinc/51/84/95/892518495.db2.gz CMAXOIKDRODFSE-MRVPVSSYSA-N 0 3 289.361 -1.432 20 0 CAADHN COc1cc(C(=O)NC[C@@H](C)NCC(N)=O)on1 ZINC001480449760 892518535 /nfs/dbraw/zinc/51/85/35/892518535.db2.gz SKBYNXQIUQLJPV-ZCFIWIBFSA-N 0 3 256.262 -1.124 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001480445374 892518803 /nfs/dbraw/zinc/51/88/03/892518803.db2.gz DBYKBFGUUPDAAK-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CCNC(=O)NC ZINC001480455539 892518834 /nfs/dbraw/zinc/51/88/34/892518834.db2.gz CLXKMAXHNITNJD-SECBINFHSA-N 0 3 287.364 -1.464 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001480445372 892518843 /nfs/dbraw/zinc/51/88/43/892518843.db2.gz DBYKBFGUUPDAAK-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNC(=O)c1cnnn1C)N[C@@H]1CCNC1=O ZINC001480455610 892518908 /nfs/dbraw/zinc/51/89/08/892518908.db2.gz WLYNGDSZASUYPH-JGVFFNPUSA-N 0 3 266.305 -1.589 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001480456517 892518921 /nfs/dbraw/zinc/51/89/21/892518921.db2.gz RTJGWTMUQQNYGJ-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1)N[C@@H](C)C(N)=O ZINC001480445637 892518930 /nfs/dbraw/zinc/51/89/30/892518930.db2.gz CNEXYFCPLXBELL-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](C)N[C@@H]2CCN(C)C2=O)C1 ZINC001480452843 892519043 /nfs/dbraw/zinc/51/90/43/892519043.db2.gz QAHZCHYOJHVNRF-JOYOIKCWSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@@H](CNC(=O)c1ncc[nH]1)NCCNS(C)(=O)=O ZINC001480456836 892519080 /nfs/dbraw/zinc/51/90/80/892519080.db2.gz CWNDIOLNHAXZKD-QMMMGPOBSA-N 0 3 289.361 -1.333 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](C)N[C@@H]2CCNC2=O)n1 ZINC001480457025 892519160 /nfs/dbraw/zinc/51/91/60/892519160.db2.gz VZMALVHERTZTIP-DTWKUNHWSA-N 0 3 280.332 -1.106 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1)N[C@H](C)C(N)=O ZINC001480445634 892519178 /nfs/dbraw/zinc/51/91/78/892519178.db2.gz CNEXYFCPLXBELL-NXEZZACHSA-N 0 3 272.349 -1.713 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ncc[nH]1 ZINC001480457846 892519220 /nfs/dbraw/zinc/51/92/20/892519220.db2.gz RDNNUEIDJUBIHZ-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)N[C@H]1CCC(=O)NC1=O ZINC001480440595 892519456 /nfs/dbraw/zinc/51/94/56/892519456.db2.gz WDQHMQUPXRHVOA-BQBZGAKWSA-N 0 3 270.289 -2.239 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)N[C@H]1CCCNC1=O ZINC001480454586 892519536 /nfs/dbraw/zinc/51/95/36/892519536.db2.gz LMVONBNHJLCABN-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001480453193 892519718 /nfs/dbraw/zinc/51/97/18/892519718.db2.gz APTJUGOWVZZUFZ-HTQZYQBOSA-N 0 3 268.321 -1.213 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCCNC1=O ZINC001480437845 892519849 /nfs/dbraw/zinc/51/98/49/892519849.db2.gz JRWWYVPMEPYZGW-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001480456516 892519981 /nfs/dbraw/zinc/51/99/81/892519981.db2.gz RTJGWTMUQQNYGJ-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C1=CCOCC1 ZINC001480447479 892520113 /nfs/dbraw/zinc/52/01/13/892520113.db2.gz GUUOTVOSQJBYBU-VIFPVBQESA-N 0 3 298.343 -1.117 20 0 CAADHN C[C@H](CNC(=O)c1cnnn1C)N[C@H]1CCN(C)C1=O ZINC001480453427 892520193 /nfs/dbraw/zinc/52/01/93/892520193.db2.gz LTAQCFIWOKALMY-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CNC(=O)C1CS(=O)(=O)C1)N[C@@H](C)C(N)=O ZINC001480466779 892521552 /nfs/dbraw/zinc/52/15/52/892521552.db2.gz VTZAAYCRFDGTBN-RQJHMYQMSA-N 0 3 277.346 -2.001 20 0 CAADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)N[C@H](C)C(N)=O ZINC001480477814 892521702 /nfs/dbraw/zinc/52/17/02/892521702.db2.gz UGSLCZWWQJGNCB-HTQZYQBOSA-N 0 3 281.316 -1.143 20 0 CAADHN C[C@H](CNC(=O)c1cccc(C(N)=O)c1)NCC(N)=O ZINC001480488643 892521721 /nfs/dbraw/zinc/52/17/21/892521721.db2.gz NLAHHCVRNRMZPV-MRVPVSSYSA-N 0 3 278.312 -1.021 20 0 CAADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N[C@@H](C)C(N)=O ZINC001480477817 892521731 /nfs/dbraw/zinc/52/17/31/892521731.db2.gz UGSLCZWWQJGNCB-YUMQZZPRSA-N 0 3 281.316 -1.143 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCNC1=O)NCC(N)=O ZINC001480481315 892521744 /nfs/dbraw/zinc/52/17/44/892521744.db2.gz LMMASNLJFFHFBX-YUMQZZPRSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](CNC(=O)c1cn2c(n1)COCC2)N[C@@H](C)C(N)=O ZINC001480487268 892521843 /nfs/dbraw/zinc/52/18/43/892521843.db2.gz UIYMYZOKQLTLJW-BDAKNGLRSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)N[C@@H](C)C(N)=O ZINC001480477816 892521865 /nfs/dbraw/zinc/52/18/65/892521865.db2.gz UGSLCZWWQJGNCB-SFYZADRCSA-N 0 3 281.316 -1.143 20 0 CAADHN C[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccoc1)NCC(N)=O ZINC001480465128 892521995 /nfs/dbraw/zinc/52/19/95/892521995.db2.gz DYKYNOJCFOCJRD-RKDXNWHRSA-N 0 3 296.327 -1.023 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccoc1)NCC(N)=O ZINC001480465127 892522043 /nfs/dbraw/zinc/52/20/43/892522043.db2.gz DYKYNOJCFOCJRD-IUCAKERBSA-N 0 3 296.327 -1.023 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001480479426 892522259 /nfs/dbraw/zinc/52/22/59/892522259.db2.gz DOBSOWMWIRNPEV-LURJTMIESA-N 0 3 269.305 -1.122 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)COCc1nccn1C ZINC001480483606 892522398 /nfs/dbraw/zinc/52/23/98/892522398.db2.gz JQIFVCQRSBFLQR-SNVBAGLBSA-N 0 3 297.359 -1.223 20 0 CAADHN C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N[C@@H](C)C(N)=O ZINC001480487271 892522465 /nfs/dbraw/zinc/52/24/65/892522465.db2.gz UIYMYZOKQLTLJW-IUCAKERBSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@H](CNC(=O)C1CS(=O)(=O)C1)N[C@H](C)C(N)=O ZINC001480466778 892522628 /nfs/dbraw/zinc/52/26/28/892522628.db2.gz VTZAAYCRFDGTBN-RNFRBKRXSA-N 0 3 277.346 -2.001 20 0 CAADHN C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N[C@@H]1CCNC1=O ZINC001480466106 892523172 /nfs/dbraw/zinc/52/31/72/892523172.db2.gz NNMYHWRIKUUXKQ-IONNQARKSA-N 0 3 289.357 -1.986 20 0 CAADHN CC(C)CNC(=O)CN[C@H](C)CNC(=O)Cn1ncnn1 ZINC001480460806 892523187 /nfs/dbraw/zinc/52/31/87/892523187.db2.gz BBHMXQRARQAGNT-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)NCC(=O)N(C)C ZINC001480480284 892523268 /nfs/dbraw/zinc/52/32/68/892523268.db2.gz QJLJJGJOBRLDRL-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001480471202 892523416 /nfs/dbraw/zinc/52/34/16/892523416.db2.gz BPTSQPGOKSWDTD-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)NCc1ccnn1C ZINC001480462298 892523527 /nfs/dbraw/zinc/52/35/27/892523527.db2.gz TVBGHPICFFUGGO-SECBINFHSA-N 0 3 278.320 -1.299 20 0 CAADHN C[C@H](CNC(=O)c1cc2n(n1)CCCO2)NCC(N)=O ZINC001480501243 892524614 /nfs/dbraw/zinc/52/46/14/892524614.db2.gz MTXUILWQFJPXTA-MRVPVSSYSA-N 0 3 281.316 -1.141 20 0 CAADHN C[C@H](CNC(=O)CCc1nccn1C)NCC(N)=O ZINC001480507985 892524704 /nfs/dbraw/zinc/52/47/04/892524704.db2.gz AMISTKLSBAFSQA-SECBINFHSA-N 0 3 267.333 -1.068 20 0 CAADHN CCN1CC[C@H](N[C@H](C)CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001480525934 892524719 /nfs/dbraw/zinc/52/47/19/892524719.db2.gz AQGLIOQNWNNOAE-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)NCC(=O)NC1CC1 ZINC001480520893 892525138 /nfs/dbraw/zinc/52/51/38/892525138.db2.gz JMWFXLOQGQBBAB-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CNC(=O)c1cn2cccnc2n1)NCC(N)=O ZINC001480494746 892525289 /nfs/dbraw/zinc/52/52/89/892525289.db2.gz GVKASOLESOYSHP-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001480519284 892525354 /nfs/dbraw/zinc/52/53/54/892525354.db2.gz UKXFTALLFBYMOV-VHSXEESVSA-N 0 3 299.375 -1.371 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@H](C)NCC(N)=O ZINC001480515899 892525592 /nfs/dbraw/zinc/52/55/92/892525592.db2.gz JMKFZQWDNXMEIY-ZETCQYMHSA-N 0 3 269.305 -1.378 20 0 CAADHN Cc1n[nH]c(=O)c(C(=O)NC[C@@H](C)NCC(N)=O)c1C ZINC001480514000 892525650 /nfs/dbraw/zinc/52/56/50/892525650.db2.gz AERJKFJWJAHOGM-ZCFIWIBFSA-N 0 3 281.316 -1.008 20 0 CAADHN C[C@@H](CNC(=O)CCc1nccn1C)NCC(N)=O ZINC001480507986 892526966 /nfs/dbraw/zinc/52/69/66/892526966.db2.gz AMISTKLSBAFSQA-VIFPVBQESA-N 0 3 267.333 -1.068 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@H]1CCNC1=O ZINC001480523859 892527000 /nfs/dbraw/zinc/52/70/00/892527000.db2.gz GNZYHAFUBONUDX-YUMQZZPRSA-N 0 3 279.300 -1.634 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCCS(N)(=O)=O ZINC001480528760 892528665 /nfs/dbraw/zinc/52/86/65/892528665.db2.gz RGFIQFDXOZDBFB-QMMMGPOBSA-N 0 3 294.377 -2.105 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)[C@H]2CNC(=O)N2)n[nH]1 ZINC001480528370 892528731 /nfs/dbraw/zinc/52/87/31/892528731.db2.gz VURBJPOGSTWQMC-HTRCEHHLSA-N 0 3 281.320 -1.611 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001480531199 892528956 /nfs/dbraw/zinc/52/89/56/892528956.db2.gz VYCJRFKWGSWGFS-SSDOTTSWSA-N 0 3 269.305 -1.420 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n[nH]1 ZINC001480528378 892529807 /nfs/dbraw/zinc/52/98/07/892529807.db2.gz VURBJPOGSTWQMC-XPUUQOCRSA-N 0 3 281.320 -1.611 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)[C@H]2CNC(=O)N2)n[nH]1 ZINC001480528375 892530001 /nfs/dbraw/zinc/53/00/01/892530001.db2.gz VURBJPOGSTWQMC-POYBYMJQSA-N 0 3 281.320 -1.611 20 0 CAADHN C[C@@H](CNC(=O)[C@]1(C)CCNC1=O)NCC(=O)N1CCC1 ZINC001480536476 892530091 /nfs/dbraw/zinc/53/00/91/892530091.db2.gz RDLXCVNBWKYECE-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001480538536 892530593 /nfs/dbraw/zinc/53/05/93/892530593.db2.gz ZQBMIZQGAJUZDG-YIZRAAEISA-N 0 3 270.333 -1.662 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ccnnc1)C(=O)NC(N)=O ZINC001480542963 892530557 /nfs/dbraw/zinc/53/05/57/892530557.db2.gz IKPPVXXWYZACRY-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001480538535 892530778 /nfs/dbraw/zinc/53/07/78/892530778.db2.gz ZQBMIZQGAJUZDG-HLTSFMKQSA-N 0 3 270.333 -1.662 20 0 CAADHN C[C@H](CNC(=O)CCc1cnn(C)n1)N[C@H]1CCNC1=O ZINC001480537823 892530997 /nfs/dbraw/zinc/53/09/97/892530997.db2.gz QJQZOZWGAGMVBD-KOLCDFICSA-N 0 3 294.359 -1.270 20 0 CAADHN CCS(=O)(=O)CCCN[C@H](C)CNC(=O)C(N)=O ZINC001480530328 892531343 /nfs/dbraw/zinc/53/13/43/892531343.db2.gz ZRJSQHXHUONEDZ-MRVPVSSYSA-N 0 3 279.362 -1.609 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N[C@H]1CCCNC1=O ZINC001480554733 892532604 /nfs/dbraw/zinc/53/26/04/892532604.db2.gz RBFMDFLGXPPOEG-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN CCn1cc(C(=O)NC[C@H](C)NCC(N)=O)nn1 ZINC001480563431 892532766 /nfs/dbraw/zinc/53/27/66/892532766.db2.gz GNKANXSZOBPNAE-ZETCQYMHSA-N 0 3 254.294 -1.509 20 0 CAADHN C[C@@H](CNC(=O)CCCS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001480555558 892532783 /nfs/dbraw/zinc/53/27/83/892532783.db2.gz WMUKHJNQVUFHKD-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@H](CNC(=O)c1ccncn1)N[C@H](C)C(=O)NC(N)=O ZINC001480555974 892533087 /nfs/dbraw/zinc/53/30/87/892533087.db2.gz IYBACCQFLBKVCY-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001480595533 892533225 /nfs/dbraw/zinc/53/32/25/892533225.db2.gz BZTGSRPRGXTOCS-SFYZADRCSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@@H](CNC(=O)Cc1ncc[nH]1)NCc1nc(=O)n(C)[nH]1 ZINC001480563632 892533266 /nfs/dbraw/zinc/53/32/66/892533266.db2.gz ZILLJWGMEGZHPP-QMMMGPOBSA-N 0 3 293.331 -1.332 20 0 CAADHN C[C@H](CNC(=O)CCN1CCCC1=O)N[C@@H](C)C(N)=O ZINC001480592956 892533328 /nfs/dbraw/zinc/53/33/28/892533328.db2.gz NDMJTJMUEMJYHS-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001480573999 892533515 /nfs/dbraw/zinc/53/35/15/892533515.db2.gz SOMOFGQDXQTUQS-YUMQZZPRSA-N 0 3 299.331 -2.185 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)C1(C(=O)NC)CC1 ZINC001480553419 892533630 /nfs/dbraw/zinc/53/36/30/892533630.db2.gz KCLHDZYHCRLKIH-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCN1CCCC1=O)C(N)=O ZINC001480592955 892533664 /nfs/dbraw/zinc/53/36/64/892533664.db2.gz NDMJTJMUEMJYHS-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001480561558 892533932 /nfs/dbraw/zinc/53/39/32/892533932.db2.gz KUCPNZHUSHJEEV-MRVPVSSYSA-N 0 3 295.343 -1.042 20 0 CAADHN C[C@H](CNC(=O)c1ncccn1)N[C@H](C)C(=O)NC(N)=O ZINC001480559110 892534145 /nfs/dbraw/zinc/53/41/45/892534145.db2.gz ITACJDSNOLXHGS-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)Cn1cncn1 ZINC001480586272 892534160 /nfs/dbraw/zinc/53/41/60/892534160.db2.gz VNBKJLGOVCGFQB-IUCAKERBSA-N 0 3 268.321 -1.493 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN1C(=O)CN(C)C1=O ZINC001480587545 892534455 /nfs/dbraw/zinc/53/44/55/892534455.db2.gz SKGYTWXKCQMNQU-QMMMGPOBSA-N 0 3 299.331 -2.279 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001480556303 892534711 /nfs/dbraw/zinc/53/47/11/892534711.db2.gz ZXMSFKOQBQWSDR-SFYZADRCSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ncccn1)C(=O)NC(N)=O ZINC001480559111 892535258 /nfs/dbraw/zinc/53/52/58/892535258.db2.gz ITACJDSNOLXHGS-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001480620902 892536818 /nfs/dbraw/zinc/53/68/18/892536818.db2.gz BCOVINYLBKWAPP-UWVGGRQHSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001480603895 892537118 /nfs/dbraw/zinc/53/71/18/892537118.db2.gz HMUVWFQOVXXOMN-VHSXEESVSA-N 0 3 296.375 -1.024 20 0 CAADHN COCC(=O)N1CC[C@H](NCCS(C)(=O)=O)C1 ZINC001480610110 892537645 /nfs/dbraw/zinc/53/76/45/892537645.db2.gz TZLBMNBXAOHBEX-VIFPVBQESA-N 0 3 264.347 -1.132 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC001480611866 892538020 /nfs/dbraw/zinc/53/80/20/892538020.db2.gz JBFSGKAGYSTKHT-ZJUUUORDSA-N 0 3 298.343 -1.202 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N[C@@H]1CCNC1=O ZINC001480599505 892537685 /nfs/dbraw/zinc/53/76/85/892537685.db2.gz IMXHWXYDHMDRCS-DTWKUNHWSA-N 0 3 295.343 -1.680 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N[C@H]1CCNC1=O ZINC001480599506 892538716 /nfs/dbraw/zinc/53/87/16/892538716.db2.gz IMXHWXYDHMDRCS-IUCAKERBSA-N 0 3 295.343 -1.680 20 0 CAADHN COCCCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001480611413 892539065 /nfs/dbraw/zinc/53/90/65/892539065.db2.gz LSVAUFIKEUPITF-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC001480611865 892539227 /nfs/dbraw/zinc/53/92/27/892539227.db2.gz JBFSGKAGYSTKHT-UWVGGRQHSA-N 0 3 298.343 -1.202 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001480603893 892539517 /nfs/dbraw/zinc/53/95/17/892539517.db2.gz HMUVWFQOVXXOMN-NXEZZACHSA-N 0 3 296.375 -1.024 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001480734946 892542228 /nfs/dbraw/zinc/54/22/28/892542228.db2.gz PMRUDENLNFZHQM-ZJUUUORDSA-N 0 3 273.333 -1.598 20 0 CAADHN C[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1nnc[n-]1)C(N)=O ZINC001480802224 892545519 /nfs/dbraw/zinc/54/55/19/892545519.db2.gz LQSSVQZYEVJGNF-JGVFFNPUSA-N 0 3 268.321 -1.295 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+][C@H](C)CCNC(=O)Cc1nnc[n-]1 ZINC001480802634 892545582 /nfs/dbraw/zinc/54/55/82/892545582.db2.gz XOGNABKZUHOLSL-RKDXNWHRSA-N 0 3 282.348 -1.034 20 0 CAADHN CNC(=O)NCCC(=O)NCCN(C)C[C@@H](C)O ZINC001480860882 892548600 /nfs/dbraw/zinc/54/86/00/892548600.db2.gz WKHKODWPBYOHKP-SECBINFHSA-N 0 3 260.338 -1.266 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001480855032 892548622 /nfs/dbraw/zinc/54/86/22/892548622.db2.gz UFGGNGJIVFPAFV-ZJUUUORDSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001480855031 892548718 /nfs/dbraw/zinc/54/87/18/892548718.db2.gz UFGGNGJIVFPAFV-VHSXEESVSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)C[C@H](C)NC(N)=O ZINC001480864852 892552337 /nfs/dbraw/zinc/55/23/37/892552337.db2.gz VJWZNFUAUURIKP-IUCAKERBSA-N 0 3 260.338 -1.138 20 0 CAADHN COC[C@H](C)N(C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001480870380 892553864 /nfs/dbraw/zinc/55/38/64/892553864.db2.gz MJFHVUGVEIFZHO-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CN1CCCNC1=O ZINC001480885712 892554343 /nfs/dbraw/zinc/55/43/43/892554343.db2.gz FFOMLSZCTUWGJC-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN CN(C)C1(C(=O)NCCN(C)CC(=O)NC(N)=O)CCC1 ZINC001480872855 892554413 /nfs/dbraw/zinc/55/44/13/892554413.db2.gz GAISAFWCUNXFFR-UHFFFAOYSA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CCS(=O)(=O)N(C)C ZINC001480950689 892562569 /nfs/dbraw/zinc/56/25/69/892562569.db2.gz XVIFQRQWLRSPHB-JTQLQIEISA-N 0 3 295.405 -1.303 20 0 CAADHN CN(CCCO)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001480899112 892558424 /nfs/dbraw/zinc/55/84/24/892558424.db2.gz IJZQRCOZCDUMHI-ZJUUUORDSA-N 0 3 257.334 -1.072 20 0 CAADHN CCOCCN(C)CCNC(=O)c1nnn(C)n1 ZINC001480901642 892559164 /nfs/dbraw/zinc/55/91/64/892559164.db2.gz VYHKHNILHFAEON-UHFFFAOYSA-N 0 3 256.310 -1.092 20 0 CAADHN CN(CCO)CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001480944357 892561753 /nfs/dbraw/zinc/56/17/53/892561753.db2.gz DKYWWOTYMIIFHZ-MRVPVSSYSA-N 0 3 272.305 -1.985 20 0 CAADHN COC[C@@H](C)N(C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001480917284 892562654 /nfs/dbraw/zinc/56/26/54/892562654.db2.gz KEJYKAUWGFJDKJ-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN CN(CCNC(=O)Cc1cnc[nH]1)[C@@H]1CCNC1=O ZINC001480916809 892563744 /nfs/dbraw/zinc/56/37/44/892563744.db2.gz ZGNCXCQLOHBTDH-SNVBAGLBSA-N 0 3 265.317 -1.111 20 0 CAADHN CCN(CCNC(=O)Cc1n[nH]c(C)n1)[C@@H]1CCNC1=O ZINC001480974553 892568682 /nfs/dbraw/zinc/56/86/82/892568682.db2.gz NXBQTDGBTZYRPM-SNVBAGLBSA-N 0 3 294.359 -1.018 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NC[C@@H]1CCCN1CCO ZINC001481068129 892572588 /nfs/dbraw/zinc/57/25/88/892572588.db2.gz GLNYZJRHJXNBDF-VIFPVBQESA-N 0 3 284.316 -1.889 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NC[C@H]1CCCN1CCO ZINC001481068128 892573093 /nfs/dbraw/zinc/57/30/93/892573093.db2.gz GLNYZJRHJXNBDF-SECBINFHSA-N 0 3 284.316 -1.889 20 0 CAADHN CCCC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001481108078 892579612 /nfs/dbraw/zinc/57/96/12/892579612.db2.gz OKHLYGYIMLKQRT-UWVGGRQHSA-N 0 3 284.360 -1.046 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1COCCO1 ZINC001481208265 892582096 /nfs/dbraw/zinc/58/20/96/892582096.db2.gz AHHZPOGFEQZVHQ-GHMZBOCLSA-N 0 3 285.344 -1.320 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cnn(C)c1)C(=O)NC(N)=O ZINC001481208028 892582308 /nfs/dbraw/zinc/58/23/08/892582308.db2.gz ZLSQVFNSERQZGW-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN CCO[C@H](C)C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001481208312 892582342 /nfs/dbraw/zinc/58/23/42/892582342.db2.gz AQWIBBJZSDORLK-MRVPVSSYSA-N 0 3 274.321 -1.346 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001481214273 892582506 /nfs/dbraw/zinc/58/25/06/892582506.db2.gz SVDHDQTZAFOJAJ-DTWKUNHWSA-N 0 3 296.327 -1.882 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)CNC(C)=O)C1=O ZINC001481202702 892582947 /nfs/dbraw/zinc/58/29/47/892582947.db2.gz WZBCHKUIKFABKR-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)Cc1cnn(C)c1 ZINC001481211898 892583083 /nfs/dbraw/zinc/58/30/83/892583083.db2.gz AAWAZWJDSWOTQN-LLVKDONJSA-N 0 3 279.344 -1.101 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001481203553 892583656 /nfs/dbraw/zinc/58/36/56/892583656.db2.gz CAZONVQMIVOOCT-WCBMZHEXSA-N 0 3 298.343 -1.636 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001481215157 892583979 /nfs/dbraw/zinc/58/39/79/892583979.db2.gz GBLUMUJWVQFKLN-VIFPVBQESA-N 0 3 298.343 -1.634 20 0 CAADHN C[C@H](NCCN(C)C(=O)CNC(=O)N1CCCC1)C(N)=O ZINC001481229361 892585704 /nfs/dbraw/zinc/58/57/04/892585704.db2.gz RNPRGGTUKIVQAS-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CNC(=O)N1CCCC1)C(N)=O ZINC001481229362 892585136 /nfs/dbraw/zinc/58/51/36/892585136.db2.gz RNPRGGTUKIVQAS-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@H](CC(=O)N(C)CCNCC(=O)N(C)C)NC(N)=O ZINC001481228442 892585924 /nfs/dbraw/zinc/58/59/24/892585924.db2.gz DYFSSTZVFKVRNN-SECBINFHSA-N 0 3 287.364 -1.431 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001481226350 892585417 /nfs/dbraw/zinc/58/54/17/892585417.db2.gz AGSPNLDBOCJVRN-MRVPVSSYSA-N 0 3 268.321 -1.259 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001481217697 892585510 /nfs/dbraw/zinc/58/55/10/892585510.db2.gz QECOAHSFPUKKBU-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CN(C)c1cnc(C(=O)N(C)CCNCC(N)=O)cn1 ZINC001481230416 892585559 /nfs/dbraw/zinc/58/55/59/892585559.db2.gz QNWAKKNHRFWSGQ-UHFFFAOYSA-N 0 3 280.332 -1.311 20 0 CAADHN CNC(=O)NCCC(=O)N(C)CCNCC(N)=O ZINC001481226769 892585622 /nfs/dbraw/zinc/58/56/22/892585622.db2.gz ILOWGCWJBQMVHH-UHFFFAOYSA-N 0 3 259.310 -2.161 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cn(CCOC)nn1 ZINC001481229183 892585718 /nfs/dbraw/zinc/58/57/18/892585718.db2.gz OWVHXADIZXNMJM-UHFFFAOYSA-N 0 3 298.347 -1.668 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1CN(C)CCO1)C(N)=O ZINC001481217229 892585801 /nfs/dbraw/zinc/58/58/01/892585801.db2.gz GJYNSAZPZYPEEV-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN CC(C)N1CC[C@@H](NCCN(C)C(=O)CC(N)=O)C1=O ZINC001481216674 892585964 /nfs/dbraw/zinc/58/59/64/892585964.db2.gz LLXCSLBOAOQLJS-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cc[nH]c(=O)c1 ZINC001481219857 892586103 /nfs/dbraw/zinc/58/61/03/892586103.db2.gz FTSMOEZIMGREFF-UHFFFAOYSA-N 0 3 252.274 -1.066 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1COC(=O)N1 ZINC001481224738 892586237 /nfs/dbraw/zinc/58/62/37/892586237.db2.gz BMXSKDWNPFMPLE-JGVFFNPUSA-N 0 3 270.289 -1.969 20 0 CAADHN CCn1nncc1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001481227315 892586496 /nfs/dbraw/zinc/58/64/96/892586496.db2.gz VAAAWCBNVIJNAE-SECBINFHSA-N 0 3 280.332 -1.152 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001481223649 892586912 /nfs/dbraw/zinc/58/69/12/892586912.db2.gz OGFXLLZPXLOEGY-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@H](C)NC(N)=O ZINC001481229705 892587040 /nfs/dbraw/zinc/58/70/40/892587040.db2.gz XMSOQAACXDBWKR-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001481229704 892587102 /nfs/dbraw/zinc/58/71/02/892587102.db2.gz XMSOQAACXDBWKR-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001481224740 892587171 /nfs/dbraw/zinc/58/71/71/892587171.db2.gz BMXSKDWNPFMPLE-YUMQZZPRSA-N 0 3 270.289 -1.969 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)C[C@H](C)NC(N)=O ZINC001481229706 892587189 /nfs/dbraw/zinc/58/71/89/892587189.db2.gz XMSOQAACXDBWKR-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001481225027 892587213 /nfs/dbraw/zinc/58/72/13/892587213.db2.gz IDXWCTBOLRYGEG-IUCAKERBSA-N 0 3 284.316 -1.579 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)CCn1ccnn1 ZINC001481224298 892587339 /nfs/dbraw/zinc/58/73/39/892587339.db2.gz MCTBQKZLDQLBSP-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)CN1CCOCC1 ZINC001481222746 892587356 /nfs/dbraw/zinc/58/73/56/892587356.db2.gz HTGPJBTZKHGNFD-UHFFFAOYSA-N 0 3 298.387 -1.401 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001481217107 892587443 /nfs/dbraw/zinc/58/74/43/892587443.db2.gz BVNFQNMMRWMUOC-SNVBAGLBSA-N 0 3 272.349 -1.889 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1COC(=O)N1 ZINC001481225646 892587550 /nfs/dbraw/zinc/58/75/50/892587550.db2.gz RLHZXNGVBGOJNQ-RKDXNWHRSA-N 0 3 284.316 -1.627 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1ncc[nH]1 ZINC001481227628 892587570 /nfs/dbraw/zinc/58/75/70/892587570.db2.gz ZNKSRBUVLRUGGX-MRVPVSSYSA-N 0 3 251.290 -1.040 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)Cn1ncnn1 ZINC001481230809 892587641 /nfs/dbraw/zinc/58/76/41/892587641.db2.gz FNJJYTNSCHGBQJ-UHFFFAOYSA-N 0 3 281.320 -2.047 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001481217698 892587698 /nfs/dbraw/zinc/58/76/98/892587698.db2.gz QECOAHSFPUKKBU-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H](CC(=O)N(C)CCNCC(=O)N(C)C)NC(N)=O ZINC001481228443 892587850 /nfs/dbraw/zinc/58/78/50/892587850.db2.gz DYFSSTZVFKVRNN-VIFPVBQESA-N 0 3 287.364 -1.431 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001481229707 892588243 /nfs/dbraw/zinc/58/82/43/892588243.db2.gz XMSOQAACXDBWKR-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN CN(C)S(=O)(=O)N(C)CC(=O)N(C)CCNCCF ZINC001481229700 892588319 /nfs/dbraw/zinc/58/83/19/892588319.db2.gz XJRRLHIJYMBLIB-UHFFFAOYSA-N 0 3 298.384 -1.258 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001481251519 892589014 /nfs/dbraw/zinc/58/90/14/892589014.db2.gz BQDZXZMBFWFSRG-QMMMGPOBSA-N 0 3 256.306 -1.954 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001481248298 892589333 /nfs/dbraw/zinc/58/93/33/892589333.db2.gz JMDNNIBPRKRMBZ-UHFFFAOYSA-N 0 3 299.375 -2.446 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1n[nH]nc1C ZINC001481264635 892589874 /nfs/dbraw/zinc/58/98/74/892589874.db2.gz GCSXLAPWLLEPJX-QMMMGPOBSA-N 0 3 268.321 -1.091 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001481239882 892590011 /nfs/dbraw/zinc/59/00/11/892590011.db2.gz ROCYQQDIOUZVHA-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCc2cncn2C1 ZINC001481249881 892590064 /nfs/dbraw/zinc/59/00/64/892590064.db2.gz KJOKDPSKYFZFAC-SNVBAGLBSA-N 0 3 279.344 -1.021 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1ccn(C)c(=O)c1 ZINC001481247302 892590096 /nfs/dbraw/zinc/59/00/96/892590096.db2.gz CNVRFEWLVAODCL-UHFFFAOYSA-N 0 3 266.301 -1.468 20 0 CAADHN CO[C@@H](C(=O)N(C)CCNCC(N)=O)c1cnn(C)c1 ZINC001481261397 892590303 /nfs/dbraw/zinc/59/03/03/892590303.db2.gz FFPFZGKGSJXGHF-LLVKDONJSA-N 0 3 283.332 -1.359 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@H]1CCCNC1=O ZINC001481243147 892590614 /nfs/dbraw/zinc/59/06/14/892590614.db2.gz GSMHVUZZCWLAMN-QMMMGPOBSA-N 0 3 299.331 -2.245 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001481243936 892590704 /nfs/dbraw/zinc/59/07/04/892590704.db2.gz GSOIAJGOQJFHPR-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cn2c(n1)COCC2)C(N)=O ZINC001481245629 892590885 /nfs/dbraw/zinc/59/08/85/892590885.db2.gz CSNWXCXEOTUSJC-VIFPVBQESA-N 0 3 295.343 -1.051 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cn2c(n1)COCC2)C(N)=O ZINC001481245628 892591088 /nfs/dbraw/zinc/59/10/88/892591088.db2.gz CSNWXCXEOTUSJC-SECBINFHSA-N 0 3 295.343 -1.051 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccnc2n[nH]nc21)C(N)=O ZINC001481256265 892591122 /nfs/dbraw/zinc/59/11/22/892591122.db2.gz IDIAXAJBTRLBCW-SSDOTTSWSA-N 0 3 291.315 -1.112 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001481248230 892591207 /nfs/dbraw/zinc/59/12/07/892591207.db2.gz OGBGEHSGBKNKAV-QMMMGPOBSA-N 0 3 296.331 -1.921 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001481240931 892591355 /nfs/dbraw/zinc/59/13/55/892591355.db2.gz DDZVVKOBPQJIQV-QMMMGPOBSA-N 0 3 299.331 -2.279 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001481242026 892591517 /nfs/dbraw/zinc/59/15/17/892591517.db2.gz RKRWTXIKNNDBOM-ZETCQYMHSA-N 0 3 269.305 -1.041 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1ccnc2n[nH]nc21 ZINC001481254559 892591645 /nfs/dbraw/zinc/59/16/45/892591645.db2.gz KVXXUZHDUUDONH-UHFFFAOYSA-N 0 3 277.288 -1.500 20 0 CAADHN C[C@H](NCCN(C)C(=O)COCc1nccn1C)C(N)=O ZINC001481244098 892591773 /nfs/dbraw/zinc/59/17/73/892591773.db2.gz JYPZAVFGGUCNCD-JTQLQIEISA-N 0 3 297.359 -1.142 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001481266867 892592964 /nfs/dbraw/zinc/59/29/64/892592964.db2.gz NQKKYZDUEKZDPL-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)NC1(C(=O)N(C)CCNCC(N)=O)CCCC1 ZINC001481290912 892593043 /nfs/dbraw/zinc/59/30/43/892593043.db2.gz QBWAJAPGGLLCQL-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001481279511 892593637 /nfs/dbraw/zinc/59/36/37/892593637.db2.gz JAHUEEYEOKDILB-VGMNWLOBSA-N 0 3 268.317 -1.956 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001481291428 892593689 /nfs/dbraw/zinc/59/36/89/892593689.db2.gz UGIFKEQSJYFGNS-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001481282484 892594009 /nfs/dbraw/zinc/59/40/09/892594009.db2.gz QVSVACMFERNCEK-GHMZBOCLSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCNC1=O ZINC001481267499 892594035 /nfs/dbraw/zinc/59/40/35/892594035.db2.gz ZWPBTRSWIUACDO-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)c1cnn(C)n1 ZINC001481291611 892594182 /nfs/dbraw/zinc/59/41/82/892594182.db2.gz LLJBMJQNBKPKJQ-UHFFFAOYSA-N 0 3 280.332 -1.291 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001481267170 892594420 /nfs/dbraw/zinc/59/44/20/892594420.db2.gz SPHMBDLYHUEIRV-JTQLQIEISA-N 0 3 297.359 -1.663 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)c1nnn(C)n1 ZINC001481268779 892594487 /nfs/dbraw/zinc/59/44/87/892594487.db2.gz QINZQHCKMNWLOZ-UHFFFAOYSA-N 0 3 283.336 -1.602 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)C(=O)N(C)C ZINC001481279749 892594543 /nfs/dbraw/zinc/59/45/43/892594543.db2.gz OCHVKQYDXIXVNK-BBBLOLIVSA-N 0 3 284.360 -1.368 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001481282486 892594991 /nfs/dbraw/zinc/59/49/91/892594991.db2.gz QVSVACMFERNCEK-QWRGUYRKSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2CCNC2=O)C1=O ZINC001481266628 892595093 /nfs/dbraw/zinc/59/50/93/892595093.db2.gz IXNZGRCLVLEGJZ-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)N(C)CCNCC(N)=O ZINC001481290175 892595103 /nfs/dbraw/zinc/59/51/03/892595103.db2.gz DLHPNRNPMQAPGH-UHFFFAOYSA-N 0 3 272.349 -1.318 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCNC1=O ZINC001481267420 892595120 /nfs/dbraw/zinc/59/51/20/892595120.db2.gz XSHMLLGNFHJXES-ZJUUUORDSA-N 0 3 282.344 -1.599 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2CCNC2=O)C1=O ZINC001481266630 892595176 /nfs/dbraw/zinc/59/51/76/892595176.db2.gz IXNZGRCLVLEGJZ-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CCS(=O)(=O)CCCNCCN(C)C(=O)C(N)=O ZINC001481273502 892595204 /nfs/dbraw/zinc/59/52/04/892595204.db2.gz VLDQCJIKCGGPKD-UHFFFAOYSA-N 0 3 279.362 -1.656 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001481302660 892596448 /nfs/dbraw/zinc/59/64/48/892596448.db2.gz QPQBQDBKLMHAPI-JOYOIKCWSA-N 0 3 255.318 -1.054 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001481303519 892597061 /nfs/dbraw/zinc/59/70/61/892597061.db2.gz YLDDJDILTBGWOP-UHFFFAOYSA-N 0 3 299.331 -2.278 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1C[C@]12CCOC2 ZINC001481302659 892597166 /nfs/dbraw/zinc/59/71/66/892597166.db2.gz QPQBQDBKLMHAPI-CABZTGNLSA-N 0 3 255.318 -1.054 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CN1C(=O)CN(C)C1=O ZINC001481312401 892597314 /nfs/dbraw/zinc/59/73/14/892597314.db2.gz NAVSZYSGMDQNAA-UHFFFAOYSA-N 0 3 285.304 -2.586 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001481325054 892597653 /nfs/dbraw/zinc/59/76/53/892597653.db2.gz KHBURCHJYAYIAV-SECBINFHSA-N 0 3 298.343 -1.825 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@H](C)O ZINC001481380918 892597934 /nfs/dbraw/zinc/59/79/34/892597934.db2.gz XYTGQDVUBKYXMX-GARJFASQSA-N 0 3 284.360 -1.029 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)c1cnon1 ZINC001481294442 892597994 /nfs/dbraw/zinc/59/79/94/892597994.db2.gz KXGOCNLHIXFJTR-ZETCQYMHSA-N 0 3 281.272 -1.464 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001481294633 892598550 /nfs/dbraw/zinc/59/85/50/892598550.db2.gz CSFVJTBAOKEIJQ-VIFPVBQESA-N 0 3 265.317 -1.111 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CCn1cnnn1 ZINC001481294561 892598573 /nfs/dbraw/zinc/59/85/73/892598573.db2.gz AWQVAGZZHLPTNS-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001481324468 892598595 /nfs/dbraw/zinc/59/85/95/892598595.db2.gz RWWAJLSVDDYXHL-UHFFFAOYSA-N 0 3 293.327 -1.412 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)Cc1ccc[nH]1 ZINC001481316362 892598990 /nfs/dbraw/zinc/59/89/90/892598990.db2.gz MPZTZZBHBXBGIJ-UHFFFAOYSA-N 0 3 281.316 -1.200 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001481321139 892599056 /nfs/dbraw/zinc/59/90/56/892599056.db2.gz WBNCKTOSJSPERP-SECBINFHSA-N 0 3 297.359 -1.480 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1ncccn1 ZINC001481293590 892599088 /nfs/dbraw/zinc/59/90/88/892599088.db2.gz ACARVYBIYZZATG-UHFFFAOYSA-N 0 3 294.315 -1.406 20 0 CAADHN CC[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001481498249 892600095 /nfs/dbraw/zinc/60/00/95/892600095.db2.gz PZJLFNQRTMTWNO-RKDXNWHRSA-N 0 3 270.333 -1.484 20 0 CAADHN C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)CC(N)=O)CC1 ZINC001481513074 892601388 /nfs/dbraw/zinc/60/13/88/892601388.db2.gz HBLVCBHJIMKTJW-VIFPVBQESA-N 0 3 284.360 -1.094 20 0 CAADHN CNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001481483322 892601726 /nfs/dbraw/zinc/60/17/26/892601726.db2.gz YHRVNYZTDSBDDW-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001481537952 892601758 /nfs/dbraw/zinc/60/17/58/892601758.db2.gz UAKWGTFGIOPRDE-QWRGUYRKSA-N 0 3 299.371 -1.160 20 0 CAADHN CC[C@H](C(=O)NCC1CN(CC(N)=O)C1)N(C)C ZINC001481630053 892613564 /nfs/dbraw/zinc/61/35/64/892613564.db2.gz CFYIXZAWQNEXCB-SNVBAGLBSA-N 0 3 256.350 -1.140 20 0 CAADHN C[C@@H](C(=O)NCC1CN(CCCO)C1)N1C(=O)CCC1=O ZINC001481628497 892613707 /nfs/dbraw/zinc/61/37/07/892613707.db2.gz UVQNRZOERLASQK-JTQLQIEISA-N 0 3 297.355 -1.046 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)C[C@H](C)NC(N)=O)C1 ZINC001481624943 892613970 /nfs/dbraw/zinc/61/39/70/892613970.db2.gz NRNWNELGUJZRKI-IUCAKERBSA-N 0 3 272.349 -1.138 20 0 CAADHN C[C@H](CC(=O)NCC1CN(C[C@H](C)O)C1)NC(N)=O ZINC001481624941 892614277 /nfs/dbraw/zinc/61/42/77/892614277.db2.gz NRNWNELGUJZRKI-BDAKNGLRSA-N 0 3 272.349 -1.138 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CCNC(N)=O)C1 ZINC001481659016 892616532 /nfs/dbraw/zinc/61/65/32/892616532.db2.gz NHVZYXHQACLKBJ-MRVPVSSYSA-N 0 3 258.322 -1.526 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CCNC(N)=O)C1 ZINC001481659017 892616753 /nfs/dbraw/zinc/61/67/53/892616753.db2.gz NHVZYXHQACLKBJ-QMMMGPOBSA-N 0 3 258.322 -1.526 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CCn2cnnn2)C1 ZINC001481650382 892617125 /nfs/dbraw/zinc/61/71/25/892617125.db2.gz MHDOTVIBYZVKDL-SECBINFHSA-N 0 3 268.321 -1.508 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001481654025 892617936 /nfs/dbraw/zinc/61/79/36/892617936.db2.gz GFFTYQZGSWSWOP-VIFPVBQESA-N 0 3 298.343 -1.691 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001481692412 892620902 /nfs/dbraw/zinc/62/09/02/892620902.db2.gz MMTOYKUXYOEKHZ-VHSXEESVSA-N 0 3 270.333 -1.105 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NCC1CN(CCCO)C1 ZINC001481665624 892620910 /nfs/dbraw/zinc/62/09/10/892620910.db2.gz MOPGORDKAQLHJE-JTQLQIEISA-N 0 3 283.328 -1.530 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001481723753 892623278 /nfs/dbraw/zinc/62/32/78/892623278.db2.gz YETGEIFBWRAIQN-IUCAKERBSA-N 0 3 258.322 -1.432 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)CC(N)=O)C1 ZINC001481723544 892623378 /nfs/dbraw/zinc/62/33/78/892623378.db2.gz ZKRPXXCDODYGRI-ZJUUUORDSA-N 0 3 273.333 -1.598 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)CC(N)=O)C1 ZINC001481723542 892623475 /nfs/dbraw/zinc/62/34/75/892623475.db2.gz ZKRPXXCDODYGRI-UWVGGRQHSA-N 0 3 273.333 -1.598 20 0 CAADHN CC[C@@H](CNC(=O)COC)NCC(=O)NC(N)=O ZINC001481780566 892624629 /nfs/dbraw/zinc/62/46/29/892624629.db2.gz IRFOQVWNZHANMM-ZETCQYMHSA-N 0 3 260.294 -1.688 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](CC)N[C@H](C)C(N)=O ZINC001481798067 892626990 /nfs/dbraw/zinc/62/69/90/892626990.db2.gz MXBUZRNBLUFWIR-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)NC(C)C ZINC001481790223 892627042 /nfs/dbraw/zinc/62/70/42/892627042.db2.gz OATRVSDYKTZUFI-JTQLQIEISA-N 0 3 297.363 -1.318 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](CC)N[C@H]1CCNC1=O ZINC001481796901 892627168 /nfs/dbraw/zinc/62/71/68/892627168.db2.gz FTQIZOOLBDFMNE-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@@H](CNC(=O)CN(C)C(C)=O)N[C@H]1CCNC1=O ZINC001481790650 892627257 /nfs/dbraw/zinc/62/72/57/892627257.db2.gz PDPBLFOUCFVYDG-QWRGUYRKSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](C)n1cncn1)NCC(N)=O ZINC001481802648 892627677 /nfs/dbraw/zinc/62/76/77/892627677.db2.gz FEZVXYHUZPXFIB-RKDXNWHRSA-N 0 3 268.321 -1.191 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)N1CCC1 ZINC001481805676 892627884 /nfs/dbraw/zinc/62/78/84/892627884.db2.gz SNBXQQLSKCXNCF-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@H](CNC(=O)c1cnn(C)c1N)NCC(=O)NC ZINC001481803593 892627953 /nfs/dbraw/zinc/62/79/53/892627953.db2.gz OQTJZJNOWRJRIG-MRVPVSSYSA-N 0 3 282.348 -1.154 20 0 CAADHN CC[C@@H](CNC(=O)C1=COCCO1)NCC(N)=O ZINC001481786693 892628003 /nfs/dbraw/zinc/62/80/03/892628003.db2.gz MCWLLIHIQBYHCS-QMMMGPOBSA-N 0 3 257.290 -1.156 20 0 CAADHN CC[C@H](CNC(=O)CC(N)=O)N[C@H](C)C(=O)N(C)C ZINC001481798612 892628108 /nfs/dbraw/zinc/62/81/08/892628108.db2.gz SMDOIVMFEMGCLO-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(N)=O ZINC001481840583 892628208 /nfs/dbraw/zinc/62/82/08/892628208.db2.gz IYJXZDPTVKJYMJ-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](CC)N[C@H]1CCNC1=O ZINC001481796898 892628244 /nfs/dbraw/zinc/62/82/44/892628244.db2.gz FTQIZOOLBDFMNE-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@@H](CNC(=O)CCn1ccnn1)NCC(=O)NC ZINC001481806100 892628256 /nfs/dbraw/zinc/62/82/56/892628256.db2.gz WMWWVQZVYCGLRY-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN CC[C@H](CNC(=O)CS(C)(=O)=O)N[C@@H](C)C(=O)NC ZINC001481795463 892628311 /nfs/dbraw/zinc/62/83/11/892628311.db2.gz ZGCCTQPHSXFFPW-DTWKUNHWSA-N 0 3 293.389 -1.350 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)NCC(N)=O ZINC001481842060 892628459 /nfs/dbraw/zinc/62/84/59/892628459.db2.gz UJNQBJNTZMTFGQ-ZCFIWIBFSA-N 0 3 255.282 -2.207 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncn(C)c1=O)N[C@H](C)C(N)=O ZINC001481827205 892628333 /nfs/dbraw/zinc/62/83/33/892628333.db2.gz XUQGMPNJZFLHMN-RKDXNWHRSA-N 0 3 298.347 -2.060 20 0 CAADHN CC[C@@H](CNC(=O)CN(C)C(C)=O)N[C@@H]1CCNC1=O ZINC001481790651 892628348 /nfs/dbraw/zinc/62/83/48/892628348.db2.gz PDPBLFOUCFVYDG-WDEREUQCSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)N[C@H]1CCNC1=O ZINC001481840296 892628361 /nfs/dbraw/zinc/62/83/61/892628361.db2.gz DZNIZOOYMZPUOC-SFYZADRCSA-N 0 3 281.320 -1.803 20 0 CAADHN CC[C@@H](CNC(=O)Cc1cnn(C)c1)NCC(N)=O ZINC001481793617 892628740 /nfs/dbraw/zinc/62/87/40/892628740.db2.gz CDWHBPVLBAQQFS-JTQLQIEISA-N 0 3 267.333 -1.068 20 0 CAADHN CC[C@@H](CNC(=O)CCn1cnnn1)N[C@H](C)C(N)=O ZINC001481862467 892629933 /nfs/dbraw/zinc/62/99/33/892629933.db2.gz VULSQPVQNHPSNG-BDAKNGLRSA-N 0 3 283.336 -1.579 20 0 CAADHN CNC(=O)NCC(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001481930112 892630378 /nfs/dbraw/zinc/63/03/78/892630378.db2.gz JDJIIGLBDRLHKP-GFCCVEGCSA-N 0 3 285.348 -1.725 20 0 CAADHN CC[C@@H](CNC(=O)CN1C(=O)CCC1=O)N[C@H](C)C(N)=O ZINC001481877613 892630417 /nfs/dbraw/zinc/63/04/17/892630417.db2.gz RGSUXJRHDFYQOE-BDAKNGLRSA-N 0 3 298.343 -1.506 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCc2nncn2C1)NCC(N)=O ZINC001481880787 892630508 /nfs/dbraw/zinc/63/05/08/892630508.db2.gz HCTNLTNEMMRVDB-VHSXEESVSA-N 0 3 294.359 -1.190 20 0 CAADHN CC[C@@H](CNC(=O)CN1C(=O)CCC1=O)NCC(=O)NC ZINC001481874852 892630551 /nfs/dbraw/zinc/63/05/51/892630551.db2.gz HLFMYCILPXICAF-VIFPVBQESA-N 0 3 298.343 -1.634 20 0 CAADHN CC[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)N[C@@H](C)C(N)=O ZINC001481859558 892630818 /nfs/dbraw/zinc/63/08/18/892630818.db2.gz GLIMZVAAIOTCJP-CBAPKCEASA-N 0 3 298.343 -1.603 20 0 CAADHN CC[C@@H](CNC(=O)CCn1cnnn1)N[C@@H](C)C(N)=O ZINC001481862472 892630836 /nfs/dbraw/zinc/63/08/36/892630836.db2.gz VULSQPVQNHPSNG-IUCAKERBSA-N 0 3 283.336 -1.579 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C(F)F)C(=O)NC(N)=O ZINC001482703769 892661381 /nfs/dbraw/zinc/66/13/81/892661381.db2.gz VWFCFHZTXQAJRK-UHNVWZDZSA-N 0 3 282.247 -2.098 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)CC(N)=O)C1CC1 ZINC001481923223 892631202 /nfs/dbraw/zinc/63/12/02/892631202.db2.gz RVXOQMHTZYKUIR-LBPRGKRZSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)CC(N)=O)C1CC1 ZINC001481923219 892631361 /nfs/dbraw/zinc/63/13/61/892631361.db2.gz RVXOQMHTZYKUIR-GFCCVEGCSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NCC(N)=O ZINC001481850887 892631382 /nfs/dbraw/zinc/63/13/82/892631382.db2.gz PRHWQFFTCPLMAC-KXUCPTDWSA-N 0 3 284.360 -1.142 20 0 CAADHN CC[C@H](CNC(=O)C1(C(=O)NC)CC1)NCC(N)=O ZINC001481859769 892631400 /nfs/dbraw/zinc/63/14/00/892631400.db2.gz KKGJYZPXWPZQBN-MRVPVSSYSA-N 0 3 270.333 -1.518 20 0 CAADHN Cn1nncc1C(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001481926053 892631600 /nfs/dbraw/zinc/63/16/00/892631600.db2.gz GKMNWKWRYBMYNO-LBPRGKRZSA-N 0 3 280.332 -1.212 20 0 CAADHN CC[C@H](CNC(=O)CN1C(=O)CCC1=O)N[C@@H](C)C(N)=O ZINC001481877614 892631930 /nfs/dbraw/zinc/63/19/30/892631930.db2.gz RGSUXJRHDFYQOE-DTWKUNHWSA-N 0 3 298.343 -1.506 20 0 CAADHN CC[C@H](CNC(=O)CN1C(=O)CCC1=O)N[C@H](C)C(N)=O ZINC001481877616 892632032 /nfs/dbraw/zinc/63/20/32/892632032.db2.gz RGSUXJRHDFYQOE-RKDXNWHRSA-N 0 3 298.343 -1.506 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001482062221 892633009 /nfs/dbraw/zinc/63/30/09/892633009.db2.gz FIRZEDLGTZDUKK-SSDOTTSWSA-N 0 3 285.304 -2.492 20 0 CAADHN C[C@@H]1CCCC[C@@]1(CNCC(N)=O)NC(=O)C(N)=O ZINC001481961636 892633114 /nfs/dbraw/zinc/63/31/14/892633114.db2.gz OAZMZDITSJKCBB-PELKAZGASA-N 0 3 270.333 -1.388 20 0 CAADHN O=C(CO[C@H]1CCOC1)NC[C@@H](O)CNCCF ZINC001482727567 892677542 /nfs/dbraw/zinc/67/75/42/892677542.db2.gz BNNUDSAAVLGGQP-UWVGGRQHSA-N 0 3 264.297 -1.172 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)CCNC(N)=O)C1CC1 ZINC001481953477 892634106 /nfs/dbraw/zinc/63/41/06/892634106.db2.gz YKYLPIJZSPAMEG-ZDUSSCGKSA-N 0 3 299.375 -1.335 20 0 CAADHN C[C@H]1CCCC[C@]1(CNCC(N)=O)NC(=O)C(N)=O ZINC001481961638 892634165 /nfs/dbraw/zinc/63/41/65/892634165.db2.gz OAZMZDITSJKCBB-QPUJVOFHSA-N 0 3 270.333 -1.388 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001482055741 892634242 /nfs/dbraw/zinc/63/42/42/892634242.db2.gz ABICGWSLSJVHBJ-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN CN1CCC[C@@H](NC[C@](C)(NC(=O)C(N)=O)C2CC2)C1=O ZINC001481940061 892634312 /nfs/dbraw/zinc/63/43/12/892634312.db2.gz SRCJNAJHEJKOTE-YGRLFVJLSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001481942122 892634590 /nfs/dbraw/zinc/63/45/90/892634590.db2.gz GUZYJORCEWDQBF-BFVZDQMLSA-N 0 3 296.371 -1.272 20 0 CAADHN C[C@@H](CNCc1ccn(C)n1)CNC(=O)Cn1cnnn1 ZINC001482076658 892634816 /nfs/dbraw/zinc/63/48/16/892634816.db2.gz XBJZGILNDDNQBV-JTQLQIEISA-N 0 3 292.347 -1.051 20 0 CAADHN C[C@@H](CNCc1nccn1C)CNC(=O)C(N)=O ZINC001482138231 892636030 /nfs/dbraw/zinc/63/60/30/892636030.db2.gz IPEOFKHEMGMJPJ-QMMMGPOBSA-N 0 3 253.306 -1.253 20 0 CAADHN C[C@@H](CNCCS(C)(=O)=O)N(C)C(=O)CC(N)=O ZINC001482264091 892641443 /nfs/dbraw/zinc/64/14/43/892641443.db2.gz BXIIRAXUSNWIHU-QMMMGPOBSA-N 0 3 279.362 -1.657 20 0 CAADHN CNC(=O)NCC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001482221308 892641579 /nfs/dbraw/zinc/64/15/79/892641579.db2.gz ZLMNUQGTYXIRIR-UHFFFAOYSA-N 0 3 285.348 -1.581 20 0 CAADHN Cn1cc(C(=O)NCC2(NCC(N)=O)CCCC2)nn1 ZINC001482218458 892641703 /nfs/dbraw/zinc/64/17/03/892641703.db2.gz RAIIGNSVQWIYTF-UHFFFAOYSA-N 0 3 280.332 -1.067 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CCNC2=O)CCCC1 ZINC001482226228 892641814 /nfs/dbraw/zinc/64/18/14/892641814.db2.gz FMIAVWZOUAQIDS-SNVBAGLBSA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CNC(C)=O)CCCC1 ZINC001482208943 892642207 /nfs/dbraw/zinc/64/22/07/892642207.db2.gz UYHBVLAZNMJHQH-UHFFFAOYSA-N 0 3 284.360 -1.113 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)Cn1cnnn1 ZINC001482252903 892642329 /nfs/dbraw/zinc/64/23/29/892642329.db2.gz HQIVILLHSZQJMA-SECBINFHSA-N 0 3 283.336 -1.802 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CCNC2=O)CCCC1 ZINC001482226226 892642723 /nfs/dbraw/zinc/64/27/23/892642723.db2.gz FMIAVWZOUAQIDS-JTQLQIEISA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)Cn1cnnn1 ZINC001482252910 892642773 /nfs/dbraw/zinc/64/27/73/892642773.db2.gz HQIVILLHSZQJMA-VIFPVBQESA-N 0 3 283.336 -1.802 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)CC(N)=O ZINC001482264594 892643018 /nfs/dbraw/zinc/64/30/18/892643018.db2.gz GEAKMZRGOVOGGG-MRVPVSSYSA-N 0 3 258.322 -1.614 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H]1CN(CC(N)=O)CCO1 ZINC001482207529 892643100 /nfs/dbraw/zinc/64/31/00/892643100.db2.gz VMUXQZNRAUBBQB-NSHDSACASA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)Cc1cnn(C)c1 ZINC001482258278 892643202 /nfs/dbraw/zinc/64/32/02/892643202.db2.gz FHGXCJYTAWJZDX-SECBINFHSA-N 0 3 267.333 -1.116 20 0 CAADHN COC[C@@H](O)CN1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001482242598 892643233 /nfs/dbraw/zinc/64/32/33/892643233.db2.gz CYMGHAJWXUYLAY-JTQLQIEISA-N 0 3 285.344 -1.597 20 0 CAADHN CC[C@H](NC[C@H](C)N(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001482262613 892643478 /nfs/dbraw/zinc/64/34/78/892643478.db2.gz XZDKFYOGUWZROA-IUCAKERBSA-N 0 3 293.389 -1.269 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1cnn(C)c1N ZINC001482277597 892644860 /nfs/dbraw/zinc/64/48/60/892644860.db2.gz ZQWJMDXZDMWERY-PSASIEDQSA-N 0 3 294.359 -1.059 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001482281872 892645111 /nfs/dbraw/zinc/64/51/11/892645111.db2.gz RLYMFHGPKNHNJD-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)c1nnn(C)n1 ZINC001482317713 892645202 /nfs/dbraw/zinc/64/52/02/892645202.db2.gz BWHOSKZUQFJYHR-MRVPVSSYSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@H](NC[C@H](C)N(C)C(=O)c1cnn(C)c1N)C(N)=O ZINC001482274840 892645289 /nfs/dbraw/zinc/64/52/89/892645289.db2.gz BYFDWRUYVWUUOJ-YUMQZZPRSA-N 0 3 282.348 -1.074 20 0 CAADHN C[C@H](CC(=O)N(C)[C@@H](C)CNCC(N)=O)NC(N)=O ZINC001482282956 892645642 /nfs/dbraw/zinc/64/56/42/892645642.db2.gz BIYRRLPZCUYKRV-SFYZADRCSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@H](CC(=O)N(C)[C@H](C)CNCC(N)=O)NC(N)=O ZINC001482282952 892645770 /nfs/dbraw/zinc/64/57/70/892645770.db2.gz BIYRRLPZCUYKRV-HTQZYQBOSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)Cn1ncnn1 ZINC001482283561 892645866 /nfs/dbraw/zinc/64/58/66/892645866.db2.gz NRBPSMWUWHLYCI-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)Cn1ncnn1 ZINC001482283901 892645916 /nfs/dbraw/zinc/64/59/16/892645916.db2.gz RIISGTFGJGSDTO-VHSXEESVSA-N 0 3 295.347 -1.660 20 0 CAADHN CNS(=O)(=O)CCC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001482283407 892646029 /nfs/dbraw/zinc/64/60/29/892646029.db2.gz GBLDRRRRFHOBEI-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)Cn1ncnn1 ZINC001482283900 892646106 /nfs/dbraw/zinc/64/61/06/892646106.db2.gz RIISGTFGJGSDTO-UWVGGRQHSA-N 0 3 295.347 -1.660 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001482307797 892646170 /nfs/dbraw/zinc/64/61/70/892646170.db2.gz RGYWZKXDGHGOPU-MRVPVSSYSA-N 0 3 297.315 -2.129 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001482317791 892646344 /nfs/dbraw/zinc/64/63/44/892646344.db2.gz CHZUWINZWLXEFO-VIFPVBQESA-N 0 3 297.363 -1.215 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001482280933 892646757 /nfs/dbraw/zinc/64/67/57/892646757.db2.gz VBDVJIBNOFAARR-RNFRBKRXSA-N 0 3 258.278 -1.983 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001482281865 892646988 /nfs/dbraw/zinc/64/69/88/892646988.db2.gz RLYMFHGPKNHNJD-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cccn(C)c1=O ZINC001482353664 892648376 /nfs/dbraw/zinc/64/83/76/892648376.db2.gz DWXCKWJDWJRAEZ-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001482421989 892648493 /nfs/dbraw/zinc/64/84/93/892648493.db2.gz CRMVCTFVBKMZSO-BDAKNGLRSA-N 0 3 280.332 -1.009 20 0 CAADHN CC(C)C[C@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1cnnn1 ZINC001482376545 892648501 /nfs/dbraw/zinc/64/85/01/892648501.db2.gz PFBAJNKCIBHHSQ-VHSXEESVSA-N 0 3 297.363 -1.333 20 0 CAADHN COc1c(C(=O)N(C)[C@H](C)CNCC(N)=O)cnn1C ZINC001482358201 892648560 /nfs/dbraw/zinc/64/85/60/892648560.db2.gz IKAUPBKLYKTWQK-MRVPVSSYSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001482370277 892648725 /nfs/dbraw/zinc/64/87/25/892648725.db2.gz UJONXAFCOCEBRW-IUCAKERBSA-N 0 3 293.389 -1.411 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](NCC(N)=O)C(C)C)C1 ZINC001482525890 892648792 /nfs/dbraw/zinc/64/87/92/892648792.db2.gz KUIXWVMHMBZESN-NSHDSACASA-N 0 3 284.360 -1.320 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001482348917 892648827 /nfs/dbraw/zinc/64/88/27/892648827.db2.gz SCXHEIYYDDSWQE-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001482329576 892649873 /nfs/dbraw/zinc/64/98/73/892649873.db2.gz CODZIPRNDKUCFL-AEJSXWLSSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCn1cnnn1 ZINC001482343750 892648969 /nfs/dbraw/zinc/64/89/69/892648969.db2.gz JJYSCRSCXLHLQF-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CS(C)(=O)=O)C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001482370276 892649894 /nfs/dbraw/zinc/64/98/94/892649894.db2.gz UJONXAFCOCEBRW-DTWKUNHWSA-N 0 3 293.389 -1.411 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001482367761 892649223 /nfs/dbraw/zinc/64/92/23/892649223.db2.gz KCSDYTMZJBRCBW-VHSXEESVSA-N 0 3 294.359 -1.238 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@]1(C)CCNC1=O ZINC001482329516 892649558 /nfs/dbraw/zinc/64/95/58/892649558.db2.gz GFWYORWHJSRMEE-PELKAZGASA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cn1cncn1 ZINC001482359985 892649587 /nfs/dbraw/zinc/64/95/87/892649587.db2.gz DLNXUJDMZVUEFH-QMMMGPOBSA-N 0 3 297.319 -2.091 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001482342629 892649688 /nfs/dbraw/zinc/64/96/88/892649688.db2.gz HPMXLHJDYAZYAQ-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CS(C)(=O)=O)C(C)C ZINC001482516126 892649931 /nfs/dbraw/zinc/64/99/31/892649931.db2.gz BLCFTZHGWHDKEU-SECBINFHSA-N 0 3 293.389 -1.493 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001482342628 892650033 /nfs/dbraw/zinc/65/00/33/892650033.db2.gz HPMXLHJDYAZYAQ-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001482368686 892650121 /nfs/dbraw/zinc/65/01/21/892650121.db2.gz IHFVSCADKRUXGW-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001482390066 892650440 /nfs/dbraw/zinc/65/04/40/892650440.db2.gz FRWYGDQYTZDPHS-ZJUUUORDSA-N 0 3 299.375 -1.384 20 0 CAADHN CN(CCOCCO)CCN(C)C(=O)c1nnn(C)n1 ZINC001482619958 892651549 /nfs/dbraw/zinc/65/15/49/892651549.db2.gz HTRIRNZOSQSQIC-UHFFFAOYSA-N 0 3 286.336 -1.777 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN(C)CCOC ZINC001482601147 892651610 /nfs/dbraw/zinc/65/16/10/892651610.db2.gz SMAOIMZXKIGZSJ-UHFFFAOYSA-N 0 3 260.338 -1.048 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H](NCC(N)=O)C(C)C ZINC001482573106 892652144 /nfs/dbraw/zinc/65/21/44/892652144.db2.gz UECKMJXUAFTNRD-MRVPVSSYSA-N 0 3 294.377 -2.249 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)CCN(C)C[C@H](C)O ZINC001482600270 892652640 /nfs/dbraw/zinc/65/26/40/892652640.db2.gz GFXUQXPMHPDTPG-JTQLQIEISA-N 0 3 295.405 -1.303 20 0 CAADHN CC(C)[C@H](CNC(=O)C(N)=O)N[C@H]1CCCN(C)C1=O ZINC001482550339 892653827 /nfs/dbraw/zinc/65/38/27/892653827.db2.gz FCVCLFTZGQZXKG-UWVGGRQHSA-N 0 3 284.360 -1.177 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](NCC(N)=O)C(C)C ZINC001482570033 892654169 /nfs/dbraw/zinc/65/41/69/892654169.db2.gz AYPFWOFEHNKKPG-VIFPVBQESA-N 0 3 293.389 -1.363 20 0 CAADHN CN(CCCO)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001482608491 892654524 /nfs/dbraw/zinc/65/45/24/892654524.db2.gz SMGNBRLQWLWYGO-UHFFFAOYSA-N 0 3 285.348 -1.646 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C(C)(F)F ZINC001482701059 892655539 /nfs/dbraw/zinc/65/55/39/892655539.db2.gz CHYUEBYBOMMOCU-ZCFIWIBFSA-N 0 3 253.249 -1.546 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)c1nnn(C)n1 ZINC001482620616 892655999 /nfs/dbraw/zinc/65/59/99/892655999.db2.gz RQNRIGDOFPCTEM-QMMMGPOBSA-N 0 3 256.310 -1.405 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001482701106 892656085 /nfs/dbraw/zinc/65/60/85/892656085.db2.gz DAXLOCGYKBNJER-QWHCGFSZSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccccn1)C(N)=O ZINC001482700315 892656312 /nfs/dbraw/zinc/65/63/12/892656312.db2.gz DRLUDYNYTPTQOR-DTWKUNHWSA-N 0 3 266.301 -1.364 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001482701104 892656767 /nfs/dbraw/zinc/65/67/67/892656767.db2.gz DAXLOCGYKBNJER-CHWSQXEVSA-N 0 3 299.371 -1.290 20 0 CAADHN CN(CCCO)CCN(C)C(=O)CN1C(=O)CNC1=O ZINC001482647161 892656824 /nfs/dbraw/zinc/65/68/24/892656824.db2.gz GCJLQIWBNXWOQA-UHFFFAOYSA-N 0 3 286.332 -1.689 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)N1CCOC[C@H]1C1CC1 ZINC001482701105 892657374 /nfs/dbraw/zinc/65/73/74/892657374.db2.gz DAXLOCGYKBNJER-OLZOCXBDSA-N 0 3 299.371 -1.290 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@H]1CCN(C(C)C)C1=O ZINC001482698941 892657811 /nfs/dbraw/zinc/65/78/11/892657811.db2.gz OUBDFOMPRYADJK-MNOVXSKESA-N 0 3 287.360 -1.291 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CNC(=O)CCOC)C1=O ZINC001482700786 892658090 /nfs/dbraw/zinc/65/80/90/892658090.db2.gz BBNOSISLACVMNX-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)N(C)CC1CC1 ZINC001482698114 892658146 /nfs/dbraw/zinc/65/81/46/892658146.db2.gz JGDXHGYGKPXPRX-NSHDSACASA-N 0 3 257.334 -1.059 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)C1CCOCC1 ZINC001482702367 892659246 /nfs/dbraw/zinc/65/92/46/892659246.db2.gz XZBFGJDBWASPNQ-VXGBXAGGSA-N 0 3 299.371 -1.242 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C(F)F)C(=O)NC(N)=O ZINC001482703768 892659433 /nfs/dbraw/zinc/65/94/33/892659433.db2.gz VWFCFHZTXQAJRK-RFZPGFLSSA-N 0 3 282.247 -2.098 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)C(F)F)C1=O ZINC001482701748 892659665 /nfs/dbraw/zinc/65/96/65/892659665.db2.gz HBOPHQCAHNTHKO-RQJHMYQMSA-N 0 3 265.260 -1.451 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)C1CCOCC1)C(N)=O ZINC001482701397 892659783 /nfs/dbraw/zinc/65/97/83/892659783.db2.gz OUSQDWWIQJERHD-QWRGUYRKSA-N 0 3 287.360 -1.256 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)C1=COCCO1 ZINC001482705438 892659909 /nfs/dbraw/zinc/65/99/09/892659909.db2.gz SXUNNFHZXBYOCR-VHSXEESVSA-N 0 3 299.327 -1.780 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnc(C)cn1 ZINC001482705735 892660525 /nfs/dbraw/zinc/66/05/25/892660525.db2.gz XSXNCZBSLWFSGM-NXEZZACHSA-N 0 3 295.343 -1.400 20 0 CAADHN CC(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001482704100 892660570 /nfs/dbraw/zinc/66/05/70/892660570.db2.gz YJZDQWRHLFMGBP-OIBJUYFYSA-N 0 3 286.332 -1.550 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001482701712 892660703 /nfs/dbraw/zinc/66/07/03/892660703.db2.gz RNGURWSSZISXAY-UWVGGRQHSA-N 0 3 286.332 -2.532 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC001482703204 892660809 /nfs/dbraw/zinc/66/08/09/892660809.db2.gz TXJVQZKIZAKCNO-SCZZXKLOSA-N 0 3 288.348 -2.334 20 0 CAADHN CS(=O)(=O)NCCNC[C@H](O)CNC(=O)C1CCC1 ZINC001482702809 892661156 /nfs/dbraw/zinc/66/11/56/892661156.db2.gz NWVICHMONFYOGY-JTQLQIEISA-N 0 3 293.389 -1.598 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)C1CCOCC1 ZINC001482702365 892661253 /nfs/dbraw/zinc/66/12/53/892661253.db2.gz XZBFGJDBWASPNQ-NWDGAFQWSA-N 0 3 299.371 -1.242 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001482704502 892661335 /nfs/dbraw/zinc/66/13/35/892661335.db2.gz BLBZWDSFJLJTMZ-SSDOTTSWSA-N 0 3 283.288 -2.392 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)C1CCOCC1)C(N)=O ZINC001482701396 892661415 /nfs/dbraw/zinc/66/14/15/892661415.db2.gz OUSQDWWIQJERHD-MNOVXSKESA-N 0 3 287.360 -1.256 20 0 CAADHN O=C(CCn1cncn1)NC[C@H](O)CNCCF ZINC001482708300 892662509 /nfs/dbraw/zinc/66/25/09/892662509.db2.gz IBGYFZCPSXJGNE-SECBINFHSA-N 0 3 259.285 -1.296 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccc[nH]1 ZINC001482708834 892662651 /nfs/dbraw/zinc/66/26/51/892662651.db2.gz VZEUTFPOPZGGOJ-SECBINFHSA-N 0 3 268.317 -1.217 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)Cn1cccn1 ZINC001482709813 892662774 /nfs/dbraw/zinc/66/27/74/892662774.db2.gz VMILYDWZIARBAX-LBPRGKRZSA-N 0 3 292.343 -1.117 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)c1ccoc1 ZINC001482706285 892662871 /nfs/dbraw/zinc/66/28/71/892662871.db2.gz BAXOJYKAVMWJDH-VIFPVBQESA-N 0 3 298.299 -1.585 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnn(C)c1)C(N)=O ZINC001482707676 892662973 /nfs/dbraw/zinc/66/29/73/892662973.db2.gz PSNGJUBASQGSEL-ZJUUUORDSA-N 0 3 283.332 -1.636 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cn1cccn1)C(=O)N(C)C ZINC001482706644 892663166 /nfs/dbraw/zinc/66/31/66/892663166.db2.gz FCNLXJMKGZJDED-WDEREUQCSA-N 0 3 297.359 -1.574 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cn1cccn1)C(=O)N(C)C ZINC001482706637 892663235 /nfs/dbraw/zinc/66/32/35/892663235.db2.gz FCNLXJMKGZJDED-GHMZBOCLSA-N 0 3 297.359 -1.574 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc(CC)n[nH]1 ZINC001482709080 892663308 /nfs/dbraw/zinc/66/33/08/892663308.db2.gz MGXUENVZJQMPHB-SNVBAGLBSA-N 0 3 297.359 -1.212 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)cnn1C ZINC001482708969 892663326 /nfs/dbraw/zinc/66/33/26/892663326.db2.gz MPCWCTTULXXYIG-ONGXEEELSA-N 0 3 295.343 -1.703 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cccn1C ZINC001482709222 892663500 /nfs/dbraw/zinc/66/35/00/892663500.db2.gz PNPWOTXOTPYWBS-VIFPVBQESA-N 0 3 268.317 -1.549 20 0 CAADHN Cn1cccc1C(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001482709187 892663397 /nfs/dbraw/zinc/66/33/97/892663397.db2.gz PMXCRONYIBQKJQ-WDEREUQCSA-N 0 3 294.355 -1.064 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccn[nH]1)C(=O)N(C)C ZINC001482709010 892663422 /nfs/dbraw/zinc/66/34/22/892663422.db2.gz LQGOBRJAHVPMRL-BDAKNGLRSA-N 0 3 283.332 -1.433 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)cnn1C ZINC001482708961 892663553 /nfs/dbraw/zinc/66/35/53/892663553.db2.gz MPCWCTTULXXYIG-GXSJLCMTSA-N 0 3 295.343 -1.703 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cn1cccn1)C(=O)N(C)C ZINC001482706642 892664297 /nfs/dbraw/zinc/66/42/97/892664297.db2.gz FCNLXJMKGZJDED-QWRGUYRKSA-N 0 3 297.359 -1.574 20 0 CAADHN CCO[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001482707997 892664314 /nfs/dbraw/zinc/66/43/14/892664314.db2.gz FIPPFVZHGLHJKK-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)on1 ZINC001482707133 892664346 /nfs/dbraw/zinc/66/43/46/892664346.db2.gz MHMZJDUQCMEEHI-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)on1 ZINC001482707784 892664472 /nfs/dbraw/zinc/66/44/72/892664472.db2.gz QSQGVVPBKMHQGL-IUCAKERBSA-N 0 3 282.300 -1.448 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cn1cccn1)C(=O)N(C)C ZINC001482706640 892664555 /nfs/dbraw/zinc/66/45/55/892664555.db2.gz FCNLXJMKGZJDED-MNOVXSKESA-N 0 3 297.359 -1.574 20 0 CAADHN O=C(CCn1cncn1)NC[C@@H](O)CNCCF ZINC001482708301 892664585 /nfs/dbraw/zinc/66/45/85/892664585.db2.gz IBGYFZCPSXJGNE-VIFPVBQESA-N 0 3 259.285 -1.296 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccon1 ZINC001482711739 892666029 /nfs/dbraw/zinc/66/60/29/892666029.db2.gz QGAGFCBDDVYGTH-MRVPVSSYSA-N 0 3 270.289 -1.557 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001482714754 892666132 /nfs/dbraw/zinc/66/61/32/892666132.db2.gz XPEABFKHRUPWPX-RKDXNWHRSA-N 0 3 286.332 -2.532 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001482713606 892666221 /nfs/dbraw/zinc/66/62/21/892666221.db2.gz RZVAESXZKIXBOM-SSDOTTSWSA-N 0 3 256.262 -1.851 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cncs1 ZINC001482710765 892666303 /nfs/dbraw/zinc/66/63/03/892666303.db2.gz FNOXVKFMDZWAAU-ZCFIWIBFSA-N 0 3 258.303 -1.691 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cncs1 ZINC001482711930 892666862 /nfs/dbraw/zinc/66/68/62/892666862.db2.gz SBARYNRLRUWWIV-SFYZADRCSA-N 0 3 284.341 -1.288 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ccon2)C1=O ZINC001482710792 892666958 /nfs/dbraw/zinc/66/69/58/892666958.db2.gz GMJCZDZUIFNMME-PSASIEDQSA-N 0 3 282.300 -1.414 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cscn1)C(N)=O ZINC001482713409 892666984 /nfs/dbraw/zinc/66/69/84/892666984.db2.gz MOCKZJNXZNMOSH-RQJHMYQMSA-N 0 3 272.330 -1.303 20 0 CAADHN Cc1ncncc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001482711934 892667239 /nfs/dbraw/zinc/66/72/39/892667239.db2.gz SCTVNDKXOZFFEL-BDAKNGLRSA-N 0 3 281.316 -1.661 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001482714819 892667412 /nfs/dbraw/zinc/66/74/12/892667412.db2.gz WNBHTAHGNCZZBV-BDAKNGLRSA-N 0 3 282.300 -1.448 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O)c1cn[nH]c1 ZINC001482711659 892667452 /nfs/dbraw/zinc/66/74/52/892667452.db2.gz PFSBTSDHCCVNSK-RKDXNWHRSA-N 0 3 295.299 -2.105 20 0 CAADHN CCn1nnc(C)c1CNC[C@H](O)CNC(=O)CC(N)=O ZINC001482714319 892667815 /nfs/dbraw/zinc/66/78/15/892667815.db2.gz DIXOQRGUVCLNFP-VIFPVBQESA-N 0 3 298.347 -1.951 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cncs1 ZINC001482711929 892667910 /nfs/dbraw/zinc/66/79/10/892667910.db2.gz SBARYNRLRUWWIV-JGVFFNPUSA-N 0 3 284.341 -1.288 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cocn1)C(N)=O ZINC001482712803 892668496 /nfs/dbraw/zinc/66/84/96/892668496.db2.gz HABUYOFUHSWNBI-HTQZYQBOSA-N 0 3 270.289 -1.381 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cocn1 ZINC001482712599 892668179 /nfs/dbraw/zinc/66/81/79/892668179.db2.gz FOZCLZDWINYYKJ-YUMQZZPRSA-N 0 3 270.289 -1.511 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001482714752 892668228 /nfs/dbraw/zinc/66/82/28/892668228.db2.gz XPEABFKHRUPWPX-DTWKUNHWSA-N 0 3 286.332 -2.532 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCC(=O)NC1=O)c1cn[nH]c1 ZINC001482711658 892668267 /nfs/dbraw/zinc/66/82/67/892668267.db2.gz PFSBTSDHCCVNSK-IUCAKERBSA-N 0 3 295.299 -2.105 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cocn1 ZINC001482712597 892668285 /nfs/dbraw/zinc/66/82/85/892668285.db2.gz FOZCLZDWINYYKJ-JGVFFNPUSA-N 0 3 270.289 -1.511 20 0 CAADHN CN1CCC[C@@H](NC[C@@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001482711652 892668330 /nfs/dbraw/zinc/66/83/30/892668330.db2.gz PAIDTYZWCYKXTB-GHMZBOCLSA-N 0 3 295.343 -1.289 20 0 CAADHN CN1CCC[C@H](NC[C@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001482711654 892668371 /nfs/dbraw/zinc/66/83/71/892668371.db2.gz PAIDTYZWCYKXTB-QWRGUYRKSA-N 0 3 295.343 -1.289 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cncs1 ZINC001482710749 892668561 /nfs/dbraw/zinc/66/85/61/892668561.db2.gz DYOFFDWJSOGTNG-QMMMGPOBSA-N 0 3 286.357 -1.041 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@@H](O)CNCCF)C1 ZINC001482719521 892669691 /nfs/dbraw/zinc/66/96/91/892669691.db2.gz XFIMMLRGFPCUEJ-UWVGGRQHSA-N 0 3 263.313 -1.647 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1ccon1 ZINC001482715636 892669763 /nfs/dbraw/zinc/66/97/63/892669763.db2.gz MMVVQRBBCRZKIW-PSASIEDQSA-N 0 3 284.316 -1.582 20 0 CAADHN Cc1cncc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)c1 ZINC001482718199 892669794 /nfs/dbraw/zinc/66/97/94/892669794.db2.gz KHFQDUSCVHEEQR-NEPJUHHUSA-N 0 3 292.339 -1.041 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccc(F)nc1)C(N)=O ZINC001482716440 892669800 /nfs/dbraw/zinc/66/98/00/892669800.db2.gz OIUMSPAYEBPQEU-APPZFPTMSA-N 0 3 284.291 -1.225 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)nc1C ZINC001482715078 892670050 /nfs/dbraw/zinc/67/00/50/892670050.db2.gz FKNZJFNUSWTXNU-SECBINFHSA-N 0 3 283.332 -1.845 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001482715350 892670303 /nfs/dbraw/zinc/67/03/03/892670303.db2.gz GALRHFOBOVOIMK-IUCAKERBSA-N 0 3 286.332 -2.532 20 0 CAADHN NC(=O)CC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001482715774 892670433 /nfs/dbraw/zinc/67/04/33/892670433.db2.gz NIRFBBWYQSUFFA-MRVPVSSYSA-N 0 3 272.305 -2.839 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1ccon1 ZINC001482715658 892670623 /nfs/dbraw/zinc/67/06/23/892670623.db2.gz MMVVQRBBCRZKIW-WPRPVWTQSA-N 0 3 284.316 -1.582 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@@H](O)CNCCF)C1 ZINC001482719522 892671293 /nfs/dbraw/zinc/67/12/93/892671293.db2.gz XFIMMLRGFPCUEJ-VHSXEESVSA-N 0 3 263.313 -1.647 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CCc1nnc[n-]1 ZINC001482719051 892671388 /nfs/dbraw/zinc/67/13/88/892671388.db2.gz OGKQOGBSJKBBJZ-RKDXNWHRSA-N 0 3 298.347 -2.062 20 0 CAADHN Cc1cccnc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001482719705 892671463 /nfs/dbraw/zinc/67/14/63/892671463.db2.gz VHZFUQKWPOGPCJ-UWVGGRQHSA-N 0 3 280.328 -1.056 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1oc(C)nc1C ZINC001482719844 892671667 /nfs/dbraw/zinc/67/16/67/892671667.db2.gz ZJYZYBSKDQLMIO-SECBINFHSA-N 0 3 284.316 -1.282 20 0 CAADHN CC(C)(C)NC(=O)CNC[C@@H](O)CNC(=O)CC(N)=O ZINC001482716238 892671603 /nfs/dbraw/zinc/67/16/03/892671603.db2.gz UGJDIEGZRGPCMA-MRVPVSSYSA-N 0 3 288.348 -2.157 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCOC1 ZINC001482716155 892671635 /nfs/dbraw/zinc/67/16/35/892671635.db2.gz SSUHCGQWFFZSSU-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)nc1C ZINC001482716953 892671922 /nfs/dbraw/zinc/67/19/22/892671922.db2.gz UMNYLGOOKICFAG-SNVBAGLBSA-N 0 3 297.359 -1.455 20 0 CAADHN CCc1nc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)co1 ZINC001482720337 892672980 /nfs/dbraw/zinc/67/29/80/892672980.db2.gz AECNAJKQVPPWPG-YUMQZZPRSA-N 0 3 284.316 -1.209 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccc(F)cn1 ZINC001482720963 892673145 /nfs/dbraw/zinc/67/31/45/892673145.db2.gz GKJLBYCTGSMSBH-MRVPVSSYSA-N 0 3 270.264 -1.614 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)c1N ZINC001482721089 892673342 /nfs/dbraw/zinc/67/33/42/892673342.db2.gz HUZDRCLQWDSFRG-CBAPKCEASA-N 0 3 296.331 -2.429 20 0 CAADHN CCc1nc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)co1 ZINC001482720751 892673424 /nfs/dbraw/zinc/67/34/24/892673424.db2.gz FDVLQWOZWLMXRR-BDAKNGLRSA-N 0 3 296.327 -1.194 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CNCCF)c1N ZINC001482721615 892673556 /nfs/dbraw/zinc/67/35/56/892673556.db2.gz MEVNHEFWQXBYNM-ZETCQYMHSA-N 0 3 259.285 -1.348 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001482724470 892673640 /nfs/dbraw/zinc/67/36/40/892673640.db2.gz LRVRCMPERILYJF-BQBZGAKWSA-N 0 3 274.277 -3.093 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cn(C)cn1)C(=O)N(C)C ZINC001482721850 892673773 /nfs/dbraw/zinc/67/37/73/892673773.db2.gz MJKHQCKGJZAMLF-NXEZZACHSA-N 0 3 297.359 -1.423 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001482722733 892673840 /nfs/dbraw/zinc/67/38/40/892673840.db2.gz RLCDGIHUDWUUAX-SNVBAGLBSA-N 0 3 296.327 -1.396 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)c1N ZINC001482721088 892673903 /nfs/dbraw/zinc/67/39/03/892673903.db2.gz HUZDRCLQWDSFRG-APPZFPTMSA-N 0 3 296.331 -2.429 20 0 CAADHN O=C(CCn1ccnn1)NC[C@@H](O)CNCCF ZINC001482724688 892674023 /nfs/dbraw/zinc/67/40/23/892674023.db2.gz BEKWERRODDPXNF-VIFPVBQESA-N 0 3 259.285 -1.296 20 0 CAADHN CC(C)(C)OCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001482721250 892674300 /nfs/dbraw/zinc/67/43/00/892674300.db2.gz DCNZIUFOWUCLMT-ZJUUUORDSA-N 0 3 287.360 -1.243 20 0 CAADHN O=C(NC[C@H](O)CNCCF)[C@@H]1CCNC(=O)C1 ZINC001482720735 892674406 /nfs/dbraw/zinc/67/44/06/892674406.db2.gz GZEYUDPGUQLDEY-RKDXNWHRSA-N 0 3 261.297 -1.451 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001482722732 892674482 /nfs/dbraw/zinc/67/44/82/892674482.db2.gz RLCDGIHUDWUUAX-JTQLQIEISA-N 0 3 296.327 -1.396 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1CC(F)(F)C1)C(N)=O ZINC001482720127 892674603 /nfs/dbraw/zinc/67/46/03/892674603.db2.gz YIUNNTCGAPPKBZ-XPUUQOCRSA-N 0 3 279.287 -1.028 20 0 CAADHN CC(C)(C)OCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001482721242 892674633 /nfs/dbraw/zinc/67/46/33/892674633.db2.gz DCNZIUFOWUCLMT-NXEZZACHSA-N 0 3 287.360 -1.243 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CC1OCCCO1 ZINC001482722049 892674762 /nfs/dbraw/zinc/67/47/62/892674762.db2.gz POZLFTSYUIFKQN-VIFPVBQESA-N 0 3 289.332 -2.048 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)[C@H](O)C(C)C)n[nH]1 ZINC001482724396 892674796 /nfs/dbraw/zinc/67/47/96/892674796.db2.gz KJHOKTKMZWHSJD-GXSJLCMTSA-N 0 3 285.348 -1.303 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1oc(C)nc1C ZINC001482719854 892674990 /nfs/dbraw/zinc/67/49/90/892674990.db2.gz ZJYZYBSKDQLMIO-VIFPVBQESA-N 0 3 284.316 -1.282 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)C1=CCOCC1 ZINC001482722382 892675007 /nfs/dbraw/zinc/67/50/07/892675007.db2.gz RQZUQHSIARRNHX-NSHDSACASA-N 0 3 285.344 -1.512 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccc(F)cn1 ZINC001482720964 892675141 /nfs/dbraw/zinc/67/51/41/892675141.db2.gz GKJLBYCTGSMSBH-QMMMGPOBSA-N 0 3 270.264 -1.614 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ncc[nH]1)NC1CC1 ZINC001482726889 892675933 /nfs/dbraw/zinc/67/59/33/892675933.db2.gz IIGKNYDPCXDRJH-VIFPVBQESA-N 0 3 281.316 -1.631 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001482729042 892676011 /nfs/dbraw/zinc/67/60/11/892676011.db2.gz LBNHEKDWGJXBOV-BDAKNGLRSA-N 0 3 275.305 -2.656 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001482726978 892676089 /nfs/dbraw/zinc/67/60/89/892676089.db2.gz INICLPLNQLOONK-SECBINFHSA-N 0 3 298.347 -2.026 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnnc(C)c1 ZINC001482726170 892676286 /nfs/dbraw/zinc/67/62/86/892676286.db2.gz QDPOTMWJQLLPFV-GXSJLCMTSA-N 0 3 295.343 -1.400 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ncn(C)n1)C(N)=O ZINC001482729137 892676915 /nfs/dbraw/zinc/67/69/15/892676915.db2.gz XMKCVWPBFGWNNU-BQBZGAKWSA-N 0 3 270.293 -2.631 20 0 CAADHN O=C(CO[C@@H]1CCOC1)NC[C@@H](O)CNCCF ZINC001482727568 892677103 /nfs/dbraw/zinc/67/71/03/892677103.db2.gz BNNUDSAAVLGGQP-VHSXEESVSA-N 0 3 264.297 -1.172 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ncc[nH]1)C(N)=O ZINC001482726317 892677116 /nfs/dbraw/zinc/67/71/16/892677116.db2.gz CRQLYCJODUNOQA-RNFRBKRXSA-N 0 3 255.278 -2.036 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1nn(C)cc1C)C(N)=O ZINC001482729486 892677236 /nfs/dbraw/zinc/67/72/36/892677236.db2.gz NVBUPKMTEXFWFH-VHSXEESVSA-N 0 3 297.359 -1.327 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1nn(C)cc1C ZINC001482730016 892677262 /nfs/dbraw/zinc/67/72/62/892677262.db2.gz XFZSHICLPCFYDH-SECBINFHSA-N 0 3 283.332 -1.845 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001482730291 892677730 /nfs/dbraw/zinc/67/77/30/892677730.db2.gz WIGOEZFGFDQLBG-YUMQZZPRSA-N 0 3 285.308 -3.126 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnnc(C)c1 ZINC001482726171 892677787 /nfs/dbraw/zinc/67/77/87/892677787.db2.gz QDPOTMWJQLLPFV-KOLCDFICSA-N 0 3 295.343 -1.400 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ncc[nH]1)C(N)=O ZINC001482726315 892677904 /nfs/dbraw/zinc/67/79/04/892677904.db2.gz CRQLYCJODUNOQA-NKWVEPMBSA-N 0 3 255.278 -2.036 20 0 CAADHN Cc1cnccc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001482727961 892677921 /nfs/dbraw/zinc/67/79/21/892677921.db2.gz GMKUHMNKGGGQFP-VIFPVBQESA-N 0 3 266.301 -1.444 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001482730290 892678123 /nfs/dbraw/zinc/67/81/23/892678123.db2.gz WIGOEZFGFDQLBG-SFYZADRCSA-N 0 3 285.308 -3.126 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1(F)CCOCC1 ZINC001482735917 892679609 /nfs/dbraw/zinc/67/96/09/892679609.db2.gz PCBQQXMNCNWJBL-VIFPVBQESA-N 0 3 291.323 -1.682 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCn1ccccc1=O ZINC001482736707 892679624 /nfs/dbraw/zinc/67/96/24/892679624.db2.gz YYXCGYUUAYEGBV-SNVBAGLBSA-N 0 3 296.327 -2.210 20 0 CAADHN CN(CC(=O)NC[C@@H](O)CNCC(N)=O)C(=O)C1CC1 ZINC001482733701 892679863 /nfs/dbraw/zinc/67/98/63/892679863.db2.gz HHKNEXALDYGSOZ-VIFPVBQESA-N 0 3 286.332 -2.593 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCCF ZINC001482733173 892679912 /nfs/dbraw/zinc/67/99/12/892679912.db2.gz VETLUFWZBHNZAR-IUCAKERBSA-N 0 3 263.313 -1.063 20 0 CAADHN Cc1c(CC(=O)NC[C@@H](O)CNCC(N)=O)cnn1C ZINC001482735732 892679933 /nfs/dbraw/zinc/67/99/33/892679933.db2.gz NQPVKIVWDJMAKB-JTQLQIEISA-N 0 3 283.332 -2.177 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCNC1=O ZINC001482736869 892680045 /nfs/dbraw/zinc/68/00/45/892680045.db2.gz APHKLEZRZFNQFI-RKDXNWHRSA-N 0 3 286.332 -2.675 20 0 CAADHN CCCn1nccc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001482735541 892680185 /nfs/dbraw/zinc/68/01/85/892680185.db2.gz ZRZRJOFBFRKKAR-JTQLQIEISA-N 0 3 297.359 -1.281 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001482736868 892680486 /nfs/dbraw/zinc/68/04/86/892680486.db2.gz APHKLEZRZFNQFI-IUCAKERBSA-N 0 3 286.332 -2.675 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccns1 ZINC001482736734 892680611 /nfs/dbraw/zinc/68/06/11/892680611.db2.gz ZNWHJIYTIJGLID-HTQZYQBOSA-N 0 3 284.341 -1.288 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCCF ZINC001482733175 892680623 /nfs/dbraw/zinc/68/06/23/892680623.db2.gz VETLUFWZBHNZAR-RKDXNWHRSA-N 0 3 263.313 -1.063 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccns1 ZINC001482736736 892680645 /nfs/dbraw/zinc/68/06/45/892680645.db2.gz ZNWHJIYTIJGLID-SFYZADRCSA-N 0 3 284.341 -1.288 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccns1 ZINC001482736735 892680742 /nfs/dbraw/zinc/68/07/42/892680742.db2.gz ZNWHJIYTIJGLID-JGVFFNPUSA-N 0 3 284.341 -1.288 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cc[nH]c1 ZINC001482732141 892680951 /nfs/dbraw/zinc/68/09/51/892680951.db2.gz JJTMPVBCWOYZLV-WPRPVWTQSA-N 0 3 268.317 -1.171 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCCF ZINC001482733168 892681121 /nfs/dbraw/zinc/68/11/21/892681121.db2.gz VETLUFWZBHNZAR-BDAKNGLRSA-N 0 3 263.313 -1.063 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001482740228 892682702 /nfs/dbraw/zinc/68/27/02/892682702.db2.gz RUXGKHRANFQMOF-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001482740263 892682848 /nfs/dbraw/zinc/68/28/48/892682848.db2.gz SMZZBFGFEWDHNH-RKDXNWHRSA-N 0 3 283.332 -1.717 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@@H](O)CNCCF)CC1=O ZINC001482744387 892682934 /nfs/dbraw/zinc/68/29/34/892682934.db2.gz UJMOLSVMZKLJLN-UWVGGRQHSA-N 0 3 275.324 -1.109 20 0 CAADHN COCC[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001482742210 892683531 /nfs/dbraw/zinc/68/35/31/892683531.db2.gz QMNYEEVXYAAFOR-MRVPVSSYSA-N 0 3 270.289 -1.491 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@H](O)CNCCF)CC1=O ZINC001482744388 892683810 /nfs/dbraw/zinc/68/38/10/892683810.db2.gz UJMOLSVMZKLJLN-VHSXEESVSA-N 0 3 275.324 -1.109 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CNCC(N)=O)ccn1 ZINC001482744752 892684851 /nfs/dbraw/zinc/68/48/51/892684851.db2.gz BTBZLQMKXGPIEI-SECBINFHSA-N 0 3 282.300 -1.744 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1cncnc1 ZINC001482750082 892685040 /nfs/dbraw/zinc/68/50/40/892685040.db2.gz JZRBQAGAHKUPIP-JTQLQIEISA-N 0 3 281.316 -2.039 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)c1ccc2nnnn2c1 ZINC001482750351 892685129 /nfs/dbraw/zinc/68/51/29/892685129.db2.gz PFESSKCEXUBYRG-VIFPVBQESA-N 0 3 282.279 -1.226 20 0 CAADHN Cn1cncc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001482748153 892685173 /nfs/dbraw/zinc/68/51/73/892685173.db2.gz PEGDMZFVULBFRP-ZETCQYMHSA-N 0 3 255.278 -2.414 20 0 CAADHN O=C(NC[C@H](O)CNCCF)c1ccc2nnnn2c1 ZINC001482750350 892685298 /nfs/dbraw/zinc/68/52/98/892685298.db2.gz PFESSKCEXUBYRG-SECBINFHSA-N 0 3 282.279 -1.226 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C(=O)Nc1ccccc1 ZINC001482749370 892685410 /nfs/dbraw/zinc/68/54/10/892685410.db2.gz XBAULIGXJFQNGM-JTQLQIEISA-N 0 3 294.311 -1.823 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cc(F)c[nH]1 ZINC001482750953 892685430 /nfs/dbraw/zinc/68/54/30/892685430.db2.gz DHTLEKHTTLXWRE-DTWKUNHWSA-N 0 3 284.291 -1.277 20 0 CAADHN Cn1cncc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001482746581 892686046 /nfs/dbraw/zinc/68/60/46/892686046.db2.gz FNAMTUAHQPRNKV-IUCAKERBSA-N 0 3 281.316 -2.011 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ncc(OC)cn1 ZINC001482747442 892686066 /nfs/dbraw/zinc/68/60/66/892686066.db2.gz GWYPGXKUMZTOBR-MRVPVSSYSA-N 0 3 297.315 -2.089 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cc(F)c[nH]1 ZINC001482750954 892686202 /nfs/dbraw/zinc/68/62/02/892686202.db2.gz DHTLEKHTTLXWRE-IUCAKERBSA-N 0 3 284.291 -1.277 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001482750685 892686296 /nfs/dbraw/zinc/68/62/96/892686296.db2.gz XYLUYAQGFJVPGQ-ZJUUUORDSA-N 0 3 283.332 -1.868 20 0 CAADHN Cn1cncc1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001482748010 892686309 /nfs/dbraw/zinc/68/63/09/892686309.db2.gz NMVCGVUKHXQBJX-UWVGGRQHSA-N 0 3 295.343 -1.621 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)ccn1 ZINC001482744753 892686435 /nfs/dbraw/zinc/68/64/35/892686435.db2.gz BTBZLQMKXGPIEI-VIFPVBQESA-N 0 3 282.300 -1.744 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cn(C)ccc1=O)C(N)=O ZINC001482749271 892686364 /nfs/dbraw/zinc/68/63/64/892686364.db2.gz WCENJVNRAOBGIR-RKDXNWHRSA-N 0 3 296.327 -2.061 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001482750684 892686507 /nfs/dbraw/zinc/68/65/07/892686507.db2.gz XYLUYAQGFJVPGQ-VHSXEESVSA-N 0 3 283.332 -1.868 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cn(C)ccc1=O)C(N)=O ZINC001482749269 892686721 /nfs/dbraw/zinc/68/67/21/892686721.db2.gz WCENJVNRAOBGIR-DTWKUNHWSA-N 0 3 296.327 -2.061 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001482750209 892686947 /nfs/dbraw/zinc/68/69/47/892686947.db2.gz MYQGCLKYJPUWNT-ZJUUUORDSA-N 0 3 285.344 -1.632 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ncc(OC)cn1 ZINC001482747444 892687114 /nfs/dbraw/zinc/68/71/14/892687114.db2.gz GWYPGXKUMZTOBR-QMMMGPOBSA-N 0 3 297.315 -2.089 20 0 CAADHN CC[C@H](F)C(=O)NC[C@H](O)CNCCS(C)(=O)=O ZINC001482758068 892688196 /nfs/dbraw/zinc/68/81/96/892688196.db2.gz VQGPIHLIYRSNHM-BDAKNGLRSA-N 0 3 284.353 -1.154 20 0 CAADHN CC(C)c1cc(C(=O)NC[C@@H](O)CNCC(N)=O)no1 ZINC001482756505 892688500 /nfs/dbraw/zinc/68/85/00/892688500.db2.gz XXLWWJPOTLRJFV-QMMMGPOBSA-N 0 3 284.316 -1.036 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cccnc1)[C@H]1CCNC1=O ZINC001482756925 892688961 /nfs/dbraw/zinc/68/89/61/892688961.db2.gz DLJWCZSABYMGDW-RYUDHWBXSA-N 0 3 292.339 -1.216 20 0 CAADHN CC(C)n1cnc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001482755652 892689096 /nfs/dbraw/zinc/68/90/96/892689096.db2.gz QIFSINNZNSFVJN-SECBINFHSA-N 0 3 283.332 -1.370 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001482754268 892689205 /nfs/dbraw/zinc/68/92/05/892689205.db2.gz UFVRRLGANBJGHQ-SCZZXKLOSA-N 0 3 281.316 -1.713 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001482759709 892689410 /nfs/dbraw/zinc/68/94/10/892689410.db2.gz AHAUBLZLVHVHIO-WUHRBBMRSA-N 0 3 294.355 -1.121 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001482760212 892689456 /nfs/dbraw/zinc/68/94/56/892689456.db2.gz JXQOXIAPEFVLQX-SQXHDICFSA-N 0 3 271.317 -2.181 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](F)C(C)C ZINC001482759517 892689511 /nfs/dbraw/zinc/68/95/11/892689511.db2.gz XCASUZAZTOQTER-SCZZXKLOSA-N 0 3 263.313 -1.207 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](F)C(C)C ZINC001482759518 892689683 /nfs/dbraw/zinc/68/96/83/892689683.db2.gz XCASUZAZTOQTER-WCBMZHEXSA-N 0 3 263.313 -1.207 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CNC/C=C\Cl)n1 ZINC001482759493 892689736 /nfs/dbraw/zinc/68/97/36/892689736.db2.gz WTHQQVMULSKDJQ-XDVGHUOJSA-N 0 3 274.712 -1.357 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001482753190 892689897 /nfs/dbraw/zinc/68/98/97/892689897.db2.gz IGAFURYIHYNQKZ-ZETCQYMHSA-N 0 3 255.278 -2.116 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CNC/C=C/Cl)n1 ZINC001482759490 892689908 /nfs/dbraw/zinc/68/99/08/892689908.db2.gz WTHQQVMULSKDJQ-AIYRYJHASA-N 0 3 274.712 -1.357 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001482762117 892691649 /nfs/dbraw/zinc/69/16/49/892691649.db2.gz JMGGACKIAJTCAV-NXEZZACHSA-N 0 3 296.331 -2.332 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)C(N)=O)C1=O ZINC001482766799 892691778 /nfs/dbraw/zinc/69/17/78/892691778.db2.gz PBXDIMRZIIERBN-RNFRBKRXSA-N 0 3 258.278 -3.231 20 0 CAADHN CCCNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C(N)=O ZINC001482765098 892691790 /nfs/dbraw/zinc/69/17/90/892691790.db2.gz FGIBZOPHOVQIHQ-SFYZADRCSA-N 0 3 274.321 -2.547 20 0 CAADHN CCc1ncoc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001482766527 892691828 /nfs/dbraw/zinc/69/18/28/892691828.db2.gz LGRISVVGRAYEAZ-WPRPVWTQSA-N 0 3 296.327 -1.194 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001482762344 892691900 /nfs/dbraw/zinc/69/19/00/892691900.db2.gz ORKZCLNOFPIQRU-SKDRFNHKSA-N 0 3 291.323 -1.682 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C(N)=O ZINC001482765146 892692189 /nfs/dbraw/zinc/69/21/89/892692189.db2.gz GLEDFNPUWVGQIU-BDAKNGLRSA-N 0 3 288.348 -2.301 20 0 CAADHN CCCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C(N)=O ZINC001482765097 892692468 /nfs/dbraw/zinc/69/24/68/892692468.db2.gz FGIBZOPHOVQIHQ-JGVFFNPUSA-N 0 3 274.321 -2.547 20 0 CAADHN O=C(Cc1cnoc1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001482762983 892692777 /nfs/dbraw/zinc/69/27/77/892692777.db2.gz VQZYQBGOUHTPGI-GHMZBOCLSA-N 0 3 296.327 -1.438 20 0 CAADHN CC(C)CNC(=O)CNC[C@H](O)CNC(=O)C(N)=O ZINC001482767750 892694391 /nfs/dbraw/zinc/69/43/91/892694391.db2.gz UYBCMYSTOPDDLP-QMMMGPOBSA-N 0 3 274.321 -2.689 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cscn1 ZINC001482774378 892694472 /nfs/dbraw/zinc/69/44/72/892694472.db2.gz KBAOGXKXRAJMOR-SECBINFHSA-N 0 3 286.357 -1.502 20 0 CAADHN COc1cncc(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001482773883 892694683 /nfs/dbraw/zinc/69/46/83/892694683.db2.gz GDNDJOMLXGGRDT-ZETCQYMHSA-N 0 3 283.288 -2.349 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2ccnnc2)n[nH]1 ZINC001482771328 892695365 /nfs/dbraw/zinc/69/53/65/892695365.db2.gz CIUMFHFSBRWACR-JTQLQIEISA-N 0 3 291.315 -1.216 20 0 CAADHN NC(=O)C(=O)NC[C@@H](O)CNCC(=O)NC1CCCC1 ZINC001482768569 892695874 /nfs/dbraw/zinc/69/58/74/892695874.db2.gz ZANYPGYOMABBNH-VIFPVBQESA-N 0 3 286.332 -2.403 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2ccnnc2)n[nH]1 ZINC001482771329 892695906 /nfs/dbraw/zinc/69/59/06/892695906.db2.gz CIUMFHFSBRWACR-SNVBAGLBSA-N 0 3 291.315 -1.216 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccn(CC)n1 ZINC001482773607 892696069 /nfs/dbraw/zinc/69/60/69/892696069.db2.gz CCSATZRWFAKJOL-SNVBAGLBSA-N 0 3 297.359 -1.281 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cccnn1 ZINC001482779400 892698499 /nfs/dbraw/zinc/69/84/99/892698499.db2.gz JUGUKPMZLXBRAM-SNVBAGLBSA-N 0 3 295.343 -1.319 20 0 CAADHN CCn1ccc(C(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC)n1 ZINC001482776192 892698610 /nfs/dbraw/zinc/69/86/10/892698610.db2.gz VXYAPHUPYWHBBF-VHSXEESVSA-N 0 3 297.359 -1.282 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccncn1 ZINC001482779419 892698700 /nfs/dbraw/zinc/69/87/00/892698700.db2.gz JWWFSQFYCNYWDF-BDAKNGLRSA-N 0 3 281.316 -1.709 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](O)CNCC(N)=O)CC1 ZINC001482775204 892698831 /nfs/dbraw/zinc/69/88/31/892698831.db2.gz LIVHEIVCLXDKHW-SSDOTTSWSA-N 0 3 272.305 -2.935 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C)n1 ZINC001482776667 892698994 /nfs/dbraw/zinc/69/89/94/892698994.db2.gz GJBNXGWYOVKGSS-UWVGGRQHSA-N 0 3 297.359 -1.125 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001482776647 892699362 /nfs/dbraw/zinc/69/93/62/892699362.db2.gz GGCQEFWKTGNVHM-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](O)CNCCF)CCCS1(=O)=O ZINC001482775622 892699472 /nfs/dbraw/zinc/69/94/72/892699472.db2.gz PVSIKRRFUAVTBD-GXSJLCMTSA-N 0 3 296.364 -1.010 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)o1 ZINC001482781990 892700498 /nfs/dbraw/zinc/70/04/98/892700498.db2.gz MILQJYOZEAXQHT-IUCAKERBSA-N 0 3 297.311 -1.143 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1ncccn1)C(N)=O ZINC001482780127 892700618 /nfs/dbraw/zinc/70/06/18/892700618.db2.gz YEPKBMCVEUCVRW-UWVGGRQHSA-N 0 3 295.343 -1.650 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ncccn1)C(=O)N(C)C ZINC001482780235 892700642 /nfs/dbraw/zinc/70/06/42/892700642.db2.gz ZZXKXRBIHUBQSB-ZJUUUORDSA-N 0 3 295.343 -1.366 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CNCC(N)=O)c(C)o1 ZINC001482782946 892700827 /nfs/dbraw/zinc/70/08/27/892700827.db2.gz VTJJOJZAZGRCEC-MRVPVSSYSA-N 0 3 270.289 -1.543 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001482779671 892700915 /nfs/dbraw/zinc/70/09/15/892700915.db2.gz OIKPBCNEHONQAG-QMMMGPOBSA-N 0 3 285.304 -1.726 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ncccn1)C(=O)N(C)C ZINC001482780233 892701057 /nfs/dbraw/zinc/70/10/57/892701057.db2.gz ZZXKXRBIHUBQSB-UWVGGRQHSA-N 0 3 295.343 -1.366 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)C(=O)NCC1CC1 ZINC001482781143 892701133 /nfs/dbraw/zinc/70/11/33/892701133.db2.gz GFRSJOKACMFKMS-VIFPVBQESA-N 0 3 261.297 -1.451 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1csc(Cl)n1 ZINC001482783572 892701165 /nfs/dbraw/zinc/70/11/65/892701165.db2.gz RGRZEUCQIQCNKS-RXMQYKEDSA-N 0 3 292.748 -1.038 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CNCC(N)=O)c(C)o1 ZINC001482782948 892701370 /nfs/dbraw/zinc/70/13/70/892701370.db2.gz VTJJOJZAZGRCEC-QMMMGPOBSA-N 0 3 270.289 -1.543 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001482784328 892701865 /nfs/dbraw/zinc/70/18/65/892701865.db2.gz GRMLAIVHZDLLPE-HTQZYQBOSA-N 0 3 284.320 -2.452 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C(=O)NCC1CC1 ZINC001482782870 892702007 /nfs/dbraw/zinc/70/20/07/892702007.db2.gz UPBDLOWEIVATDY-MRVPVSSYSA-N 0 3 272.305 -2.935 20 0 CAADHN CCn1cc(CC(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001482784834 892702107 /nfs/dbraw/zinc/70/21/07/892702107.db2.gz NICCHBPJLRORAI-JTQLQIEISA-N 0 3 283.332 -2.003 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001482785097 892702339 /nfs/dbraw/zinc/70/23/39/892702339.db2.gz PZYBZBVAXCARRU-HTQZYQBOSA-N 0 3 282.304 -2.698 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001482779670 892702520 /nfs/dbraw/zinc/70/25/20/892702520.db2.gz OIKPBCNEHONQAG-MRVPVSSYSA-N 0 3 285.304 -1.726 20 0 CAADHN CCCn1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)nn1 ZINC001482781350 892702548 /nfs/dbraw/zinc/70/25/48/892702548.db2.gz PVDUEQOMWKDZMU-BDAKNGLRSA-N 0 3 298.347 -1.758 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1csc(Cl)n1 ZINC001482783573 892702648 /nfs/dbraw/zinc/70/26/48/892702648.db2.gz RGRZEUCQIQCNKS-YFKPBYRVSA-N 0 3 292.748 -1.038 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ncccn1)C(=O)N(C)C ZINC001482780234 892702802 /nfs/dbraw/zinc/70/28/02/892702802.db2.gz ZZXKXRBIHUBQSB-VHSXEESVSA-N 0 3 295.343 -1.366 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cc(Cl)no1)C(N)=O ZINC001482786245 892702849 /nfs/dbraw/zinc/70/28/49/892702849.db2.gz BIXSEQIGVOJRMS-WDSKDSINSA-N 0 3 290.707 -1.118 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cc(Cl)no1)C(N)=O ZINC001482786244 892702862 /nfs/dbraw/zinc/70/28/62/892702862.db2.gz BIXSEQIGVOJRMS-RITPCOANSA-N 0 3 290.707 -1.118 20 0 CAADHN Cn1cccc(C(=O)NC[C@@H](O)CNCC(N)=O)c1=O ZINC001482787687 892703922 /nfs/dbraw/zinc/70/39/22/892703922.db2.gz FWCDZVHXKWPJJD-QMMMGPOBSA-N 0 3 282.300 -2.449 20 0 CAADHN C[C@H](CC(=O)NC[C@@H](O)CNCC(N)=O)n1cccc1 ZINC001482787844 892704050 /nfs/dbraw/zinc/70/40/50/892704050.db2.gz GSZMZVGUAINWLB-MNOVXSKESA-N 0 3 282.344 -1.009 20 0 CAADHN Cc1nnc(CNC[C@@H](O)CNC(=O)CN2CCCC2)[nH]1 ZINC001482791969 892704766 /nfs/dbraw/zinc/70/47/66/892704766.db2.gz FTOJCUWINLKWQB-LLVKDONJSA-N 0 3 296.375 -1.224 20 0 CAADHN COc1cccnc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001482788109 892704881 /nfs/dbraw/zinc/70/48/81/892704881.db2.gz LMTBGJPSQIFHMM-RKDXNWHRSA-N 0 3 296.327 -1.356 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001482787966 892704948 /nfs/dbraw/zinc/70/49/48/892704948.db2.gz KLSOTTFFRZOKQU-VHSXEESVSA-N 0 3 295.343 -1.784 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001482787729 892705319 /nfs/dbraw/zinc/70/53/19/892705319.db2.gz GCVIKRPIDAHSPQ-QWRGUYRKSA-N 0 3 295.343 -1.735 20 0 CAADHN Cn1cccc(C(=O)NC[C@H](O)CNCC(N)=O)c1=O ZINC001482787678 892705458 /nfs/dbraw/zinc/70/54/58/892705458.db2.gz FWCDZVHXKWPJJD-MRVPVSSYSA-N 0 3 282.300 -2.449 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C(C)(C)C)C(=O)NC(N)=O ZINC001482789467 892705595 /nfs/dbraw/zinc/70/55/95/892705595.db2.gz XXFUXRQTBGTTFO-HTQZYQBOSA-N 0 3 288.348 -1.317 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C(C)(C)C)C(=O)NC(N)=O ZINC001482789470 892705716 /nfs/dbraw/zinc/70/57/16/892705716.db2.gz XXFUXRQTBGTTFO-YUMQZZPRSA-N 0 3 288.348 -1.317 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001482787964 892706129 /nfs/dbraw/zinc/70/61/29/892706129.db2.gz KLSOTTFFRZOKQU-UWVGGRQHSA-N 0 3 295.343 -1.784 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001482787960 892706189 /nfs/dbraw/zinc/70/61/89/892706189.db2.gz KLSOTTFFRZOKQU-NXEZZACHSA-N 0 3 295.343 -1.784 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001482787968 892706230 /nfs/dbraw/zinc/70/62/30/892706230.db2.gz KLSOTTFFRZOKQU-ZJUUUORDSA-N 0 3 295.343 -1.784 20 0 CAADHN COc1cccnc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001482788108 892706634 /nfs/dbraw/zinc/70/66/34/892706634.db2.gz LMTBGJPSQIFHMM-IUCAKERBSA-N 0 3 296.327 -1.356 20 0 CAADHN NC(=O)c1ncccc1C(=O)NC[C@H](O)CNCCF ZINC001482797282 892708023 /nfs/dbraw/zinc/70/80/23/892708023.db2.gz NAXYQHRTUVFUGF-MRVPVSSYSA-N 0 3 284.291 -1.170 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001482796095 892708226 /nfs/dbraw/zinc/70/82/26/892708226.db2.gz UBBCOVVSEXVOAM-SNVBAGLBSA-N 0 3 296.327 -1.396 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001482803103 892708509 /nfs/dbraw/zinc/70/85/09/892708509.db2.gz ZTWISFZFMUQXQA-ZETCQYMHSA-N 0 3 255.278 -2.116 20 0 CAADHN C[C@H](CCNCc1cnnn1C)NC(=O)Cn1cnnn1 ZINC001482809256 892712186 /nfs/dbraw/zinc/71/21/86/892712186.db2.gz TZEXKAUHDDJASM-SECBINFHSA-N 0 3 293.335 -1.514 20 0 CAADHN C[C@@H](CCNCc1cnnn1C)NC(=O)Cn1cnnn1 ZINC001482809257 892712972 /nfs/dbraw/zinc/71/29/72/892712972.db2.gz TZEXKAUHDDJASM-VIFPVBQESA-N 0 3 293.335 -1.514 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)c1cn[nH]n1 ZINC001482933795 892714458 /nfs/dbraw/zinc/71/44/58/892714458.db2.gz GKYQYPXWWRPPQG-MRVPVSSYSA-N 0 3 268.321 -1.009 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001482922361 892714585 /nfs/dbraw/zinc/71/45/85/892714585.db2.gz QSWQFNKUKSBERL-IUCAKERBSA-N 0 3 284.316 -1.579 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)Cn1cnnn1)C(N)=O ZINC001482911888 892714605 /nfs/dbraw/zinc/71/46/05/892714605.db2.gz SMSBFDWHHZAIFC-SECBINFHSA-N 0 3 283.336 -1.625 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001482926813 892715315 /nfs/dbraw/zinc/71/53/15/892715315.db2.gz DYVSUTYVJQPSFJ-SECBINFHSA-N 0 3 270.333 -1.612 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)C1CN(C(C)=O)C1 ZINC001482919708 892715949 /nfs/dbraw/zinc/71/59/49/892715949.db2.gz RPTBVPOWZZOJPI-UHFFFAOYSA-N 0 3 284.360 -1.351 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)c1cnnn1C ZINC001482922569 892716063 /nfs/dbraw/zinc/71/60/63/892716063.db2.gz ZGOBAOWUMGINQY-UHFFFAOYSA-N 0 3 282.348 -1.045 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)Cc1nnc(C)[nH]1 ZINC001482924101 892716152 /nfs/dbraw/zinc/71/61/52/892716152.db2.gz APCVQNIUBWKZPN-QMMMGPOBSA-N 0 3 282.348 -1.032 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1COC(=O)N1 ZINC001482922362 892716295 /nfs/dbraw/zinc/71/62/95/892716295.db2.gz QSWQFNKUKSBERL-RKDXNWHRSA-N 0 3 284.316 -1.579 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001482963051 892717231 /nfs/dbraw/zinc/71/72/31/892717231.db2.gz PRNPJUKNLXRARO-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)Cn1cncn1 ZINC001482965145 892717540 /nfs/dbraw/zinc/71/75/40/892717540.db2.gz MCUYCQYFSCWSLM-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN COC(=O)NCC(=O)NC/C=C/CN[C@@H]1CCN(C)C1=O ZINC001482988514 892717560 /nfs/dbraw/zinc/71/75/60/892717560.db2.gz GJIGAFAPSNRXTI-HMDXOVGESA-N 0 3 298.343 -1.165 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)Cn1cncn1 ZINC001482965150 892717601 /nfs/dbraw/zinc/71/76/01/892717601.db2.gz MCUYCQYFSCWSLM-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C(N)=O ZINC001482949981 892717723 /nfs/dbraw/zinc/71/77/23/892717723.db2.gz ZYSPJGDXVDMZBQ-ZETCQYMHSA-N 0 3 270.289 -2.285 20 0 CAADHN COC(=O)NCC(=O)NC/C=C/CN[C@H]1CCN(C)C1=O ZINC001482988513 892717852 /nfs/dbraw/zinc/71/78/52/892717852.db2.gz GJIGAFAPSNRXTI-FSIBCCDJSA-N 0 3 298.343 -1.165 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001482953493 892718318 /nfs/dbraw/zinc/71/83/18/892718318.db2.gz UPTANEIVYGTIEO-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)c1nc[nH]n1 ZINC001482956921 892718370 /nfs/dbraw/zinc/71/83/70/892718370.db2.gz NKCGXBGNISXMAY-QMMMGPOBSA-N 0 3 266.305 -1.255 20 0 CAADHN CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C(N)=O ZINC001482949980 892718994 /nfs/dbraw/zinc/71/89/94/892718994.db2.gz ZYSPJGDXVDMZBQ-SSDOTTSWSA-N 0 3 270.289 -2.285 20 0 CAADHN CN1CC[C@@H](NC/C=C/CNC(=O)Cn2cnnn2)C1=O ZINC001482982154 892719182 /nfs/dbraw/zinc/71/91/82/892719182.db2.gz NSLOWOIBBCWCQG-VMZHVLLKSA-N 0 3 293.331 -1.834 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CCCN1C(N)=O ZINC001482971954 892719733 /nfs/dbraw/zinc/71/97/33/892719733.db2.gz PUEKYZCLJKYWPK-ZJUUUORDSA-N 0 3 299.375 -1.159 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CN(C)CCO1 ZINC001482991809 892721040 /nfs/dbraw/zinc/72/10/40/892721040.db2.gz CKFWJDQBXAOXTN-DFPOMNKCSA-N 0 3 298.387 -1.287 20 0 CAADHN CCN1CC[C@H](NC/C=C\CNC(=O)CC(N)=O)C1=O ZINC001482995360 892721064 /nfs/dbraw/zinc/72/10/64/892721064.db2.gz VSOAECOYZVILFI-XOULXFPDSA-N 0 3 282.344 -1.255 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CN(C)CCO1 ZINC001482991812 892721117 /nfs/dbraw/zinc/72/11/17/892721117.db2.gz CKFWJDQBXAOXTN-XMXMHJJKSA-N 0 3 298.387 -1.287 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@H]1CCC(=O)NC1)C(N)=O ZINC001483028434 892721308 /nfs/dbraw/zinc/72/13/08/892721308.db2.gz OXQLFJMKXLLMNO-ADLDAWLNSA-N 0 3 282.344 -1.352 20 0 CAADHN CNC(=O)NCC(=O)NC/C=C\CN[C@H](C)C(=O)N(C)C ZINC001483017272 892721397 /nfs/dbraw/zinc/72/13/97/892721397.db2.gz UPRXXYTUWHLBND-WWQCOOJYSA-N 0 3 299.375 -1.346 20 0 CAADHN CNC(=O)NCC(=O)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001483015139 892721497 /nfs/dbraw/zinc/72/14/97/892721497.db2.gz FCVKYVLJJDXEMS-VMZHVLLKSA-N 0 3 297.359 -1.544 20 0 CAADHN CCN1CC[C@H](NC/C=C/CNC(=O)CC(N)=O)C1=O ZINC001482995357 892722557 /nfs/dbraw/zinc/72/25/57/892722557.db2.gz VSOAECOYZVILFI-FSIBCCDJSA-N 0 3 282.344 -1.255 20 0 CAADHN CNC(=O)NCC(=O)NC/C=C\CN[C@@H](C)C(=O)N(C)C ZINC001483017269 892723329 /nfs/dbraw/zinc/72/33/29/892723329.db2.gz UPRXXYTUWHLBND-OMMCCPJFSA-N 0 3 299.375 -1.346 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CN(C)CCO1 ZINC001482991810 892723353 /nfs/dbraw/zinc/72/33/53/892723353.db2.gz CKFWJDQBXAOXTN-KBIXYVOKSA-N 0 3 298.387 -1.287 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCCN(C)C1=O ZINC001483105132 892727967 /nfs/dbraw/zinc/72/79/67/892727967.db2.gz HIRSCJLUNWUAAW-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)Cn1cnnn1 ZINC001483107737 892728194 /nfs/dbraw/zinc/72/81/94/892728194.db2.gz JTEUWYFQQHTCMD-SECBINFHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1cc[n+]([O-])cc1 ZINC001483106672 892729050 /nfs/dbraw/zinc/72/90/50/892729050.db2.gz TYLYBRSTOQJHAW-MWLCHTKSSA-N 0 3 278.312 -1.084 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001483112089 892729442 /nfs/dbraw/zinc/72/94/42/892729442.db2.gz KAAUBQNPSIZQEV-HTQZYQBOSA-N 0 3 279.362 -1.740 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)CCn1cnnn1 ZINC001483077342 892729988 /nfs/dbraw/zinc/72/99/88/892729988.db2.gz IYLDWKNZOQIXRY-XOULXFPDSA-N 0 3 295.347 -1.540 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cc[n+]([O-])cc1 ZINC001483105675 892730122 /nfs/dbraw/zinc/73/01/22/892730122.db2.gz DZBUVXUVMCEFLJ-RKDXNWHRSA-N 0 3 266.301 -1.098 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)CN[C@@H]1CCCNC1=O ZINC001483109991 892730326 /nfs/dbraw/zinc/73/03/26/892730326.db2.gz OXFQQSRLPYVBEP-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C\CNC(=O)CCn1cnnn1 ZINC001483077341 892730368 /nfs/dbraw/zinc/73/03/68/892730368.db2.gz IYLDWKNZOQIXRY-UMBAGQNISA-N 0 3 295.347 -1.540 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CNC(=O)C1CC1 ZINC001483112418 892730454 /nfs/dbraw/zinc/73/04/54/892730454.db2.gz IHMNDLOEEBCFSP-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1ccnc2ccnn21 ZINC001483135083 892731695 /nfs/dbraw/zinc/73/16/95/892731695.db2.gz VJRWNDAYMNSDCR-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1cnn(C)c1N ZINC001483123456 892732084 /nfs/dbraw/zinc/73/20/84/892732084.db2.gz OVFBVVMEWCFLJB-MRVPVSSYSA-N 0 3 282.348 -1.202 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cn(C)cn1 ZINC001483120490 892732118 /nfs/dbraw/zinc/73/21/18/892732118.db2.gz MRGFLJCSKSQZRY-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1cn[nH]c(=O)c1 ZINC001483137867 892732195 /nfs/dbraw/zinc/73/21/95/892732195.db2.gz GKYKGAZJNXLQET-VXNVDRBHSA-N 0 3 279.300 -1.221 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCCCO1 ZINC001483120752 892732601 /nfs/dbraw/zinc/73/26/01/892732601.db2.gz PJZIDPSNXNLICH-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN(C)C(=O)C1CC1 ZINC001483133458 892732721 /nfs/dbraw/zinc/73/27/21/892732721.db2.gz DBYQZTNQYMKEEQ-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN Cc1cc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)ncn1 ZINC001483121799 892732887 /nfs/dbraw/zinc/73/28/87/892732887.db2.gz JKNVDZAAOFEIQK-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccc2n[nH]nc2n1 ZINC001483134013 892732948 /nfs/dbraw/zinc/73/29/48/892732948.db2.gz CDGLGIXDQSWEHM-SSDOTTSWSA-N 0 3 291.315 -1.193 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)CCn1ccnn1 ZINC001483124504 892733030 /nfs/dbraw/zinc/73/30/30/892733030.db2.gz XYKXXLNFDFZJOA-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001483126114 892733274 /nfs/dbraw/zinc/73/32/74/892733274.db2.gz YIWMQJHHOSUAKA-SECBINFHSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H](C)NC(N)=O ZINC001483123147 892733588 /nfs/dbraw/zinc/73/35/88/892733588.db2.gz DJEYPOZJKBESFD-SFYZADRCSA-N 0 3 273.337 -1.774 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1ncn(C)n1 ZINC001483125726 892733733 /nfs/dbraw/zinc/73/37/33/892733733.db2.gz SBSMFVRJGZZUSF-RNFRBKRXSA-N 0 3 254.294 -1.603 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCCCO1 ZINC001483120751 892733831 /nfs/dbraw/zinc/73/38/31/892733831.db2.gz PJZIDPSNXNLICH-BDAKNGLRSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCN1C(=O)CCC1=O ZINC001483148135 892735228 /nfs/dbraw/zinc/73/52/28/892735228.db2.gz AWVJEBLBXSWVOH-RKDXNWHRSA-N 0 3 298.343 -1.506 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC ZINC001483143260 892735312 /nfs/dbraw/zinc/73/53/12/892735312.db2.gz SZCDMDCTCPGLRG-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN COCc1nn(C)cc1C(=O)N[C@H](C)CNCC(N)=O ZINC001483145096 892735644 /nfs/dbraw/zinc/73/56/44/892735644.db2.gz VKLNSJGEOABSTL-MRVPVSSYSA-N 0 3 283.332 -1.240 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001483161633 892735904 /nfs/dbraw/zinc/73/59/04/892735904.db2.gz PQKAIXLPXZGKFI-HTQZYQBOSA-N 0 3 279.300 -1.634 20 0 CAADHN COC[C@H](OC)C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001483164675 892736114 /nfs/dbraw/zinc/73/61/14/892736114.db2.gz LRENOFZNPBTTHC-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001483165002 892736325 /nfs/dbraw/zinc/73/63/25/892736325.db2.gz YDBAFIVYHFLKOQ-RNCFNFMXSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001483158993 892737342 /nfs/dbraw/zinc/73/73/42/892737342.db2.gz DYKXGUQHYAWRRI-PRHODGIISA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCCNC1=O ZINC001483139116 892737440 /nfs/dbraw/zinc/73/74/40/892737440.db2.gz ZLQYMDLMKVPACJ-HTQZYQBOSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001483148512 892737485 /nfs/dbraw/zinc/73/74/85/892737485.db2.gz MSIRTEGEQJNBSH-ZJUUUORDSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCNC(N)=O ZINC001483192468 892738859 /nfs/dbraw/zinc/73/88/59/892738859.db2.gz RMSSFNWIZREVFO-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)CCNC(N)=O ZINC001483192524 892738944 /nfs/dbraw/zinc/73/89/44/892738944.db2.gz UQNFVDKUJSYAIG-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001483175720 892739030 /nfs/dbraw/zinc/73/90/30/892739030.db2.gz MCYZZPNEASXURK-SSDOTTSWSA-N 0 3 297.319 -2.021 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CNC(=O)C(C)(C)C ZINC001483193480 892739096 /nfs/dbraw/zinc/73/90/96/892739096.db2.gz GXDUZIFHQSUGFK-MRVPVSSYSA-N 0 3 272.349 -1.272 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cn(C)c(=O)n1C ZINC001483199039 892739146 /nfs/dbraw/zinc/73/91/46/892739146.db2.gz QKZFFSGEKFKFQU-SFYZADRCSA-N 0 3 283.332 -1.695 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1nonc1C ZINC001483201736 892739193 /nfs/dbraw/zinc/73/91/93/892739193.db2.gz WLOZYACGQOKLOT-ZCFIWIBFSA-N 0 3 255.278 -1.168 20 0 CAADHN CCOCC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001483206264 892739330 /nfs/dbraw/zinc/73/93/30/892739330.db2.gz VUVGTFPAKGVTSM-ZETCQYMHSA-N 0 3 260.294 -1.688 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)Cn1cncn1)C(N)=O ZINC001483191648 892739351 /nfs/dbraw/zinc/73/93/51/892739351.db2.gz JZGSYGPNDWKGJS-RKDXNWHRSA-N 0 3 268.321 -1.364 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cc[n+]([O-])cc1 ZINC001483205624 892739364 /nfs/dbraw/zinc/73/93/64/892739364.db2.gz GQODTBTVEDMNRZ-VIFPVBQESA-N 0 3 266.301 -1.226 20 0 CAADHN CCN1CC[C@@H](NC[C@H](C)NC(=O)CNC(C)=O)C1=O ZINC001483204485 892739449 /nfs/dbraw/zinc/73/94/49/892739449.db2.gz AKFMYELPKUMYEB-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CCn1ccc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)n1 ZINC001483172558 892739512 /nfs/dbraw/zinc/73/95/12/892739512.db2.gz RSGOJVKHVGDIAI-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN CCn1cc(C(=O)N[C@H](C)CN[C@H](C)C(N)=O)nn1 ZINC001483177768 892739797 /nfs/dbraw/zinc/73/97/97/892739797.db2.gz AGBTWKUTEKEIEY-HTQZYQBOSA-N 0 3 268.321 -1.120 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)CCOC ZINC001483202931 892739823 /nfs/dbraw/zinc/73/98/23/892739823.db2.gz NMBQSZOVMPLUON-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)Cn1ccnc1 ZINC001483199400 892739853 /nfs/dbraw/zinc/73/98/53/892739853.db2.gz GSKIKAHWVVVZTL-RKDXNWHRSA-N 0 3 253.306 -1.149 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)Cc1ncc[nH]1 ZINC001483179341 892740030 /nfs/dbraw/zinc/74/00/30/892740030.db2.gz ZFFZPBWIEJRJSW-BDAKNGLRSA-N 0 3 265.317 -1.065 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCn1cnnn1 ZINC001483177888 892740335 /nfs/dbraw/zinc/74/03/35/892740335.db2.gz PYOBMHFNPGOFKS-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1ccnc1 ZINC001483199399 892740484 /nfs/dbraw/zinc/74/04/84/892740484.db2.gz GSKIKAHWVVVZTL-BDAKNGLRSA-N 0 3 253.306 -1.149 20 0 CAADHN C[C@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cc1nnc[n-]1 ZINC001483182979 892740552 /nfs/dbraw/zinc/74/05/52/892740552.db2.gz UFNDUJWAWFIXQB-RKDXNWHRSA-N 0 3 280.332 -1.328 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001483171577 892740984 /nfs/dbraw/zinc/74/09/84/892740984.db2.gz YDPTVJGHMLIMCF-SFYZADRCSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cnn2cc[nH]c12 ZINC001483188573 892741189 /nfs/dbraw/zinc/74/11/89/892741189.db2.gz NOYYTGSOQOQEEB-SSDOTTSWSA-N 0 3 264.289 -1.144 20 0 CAADHN CCn1cc(C(=O)N[C@H](C)CN[C@@H](C)C(N)=O)nn1 ZINC001483177769 892741271 /nfs/dbraw/zinc/74/12/71/892741271.db2.gz AGBTWKUTEKEIEY-SFYZADRCSA-N 0 3 268.321 -1.120 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)Cn1cccn1 ZINC001483208030 892742308 /nfs/dbraw/zinc/74/23/08/892742308.db2.gz LYSYSYSOCMBGHT-UWVGGRQHSA-N 0 3 293.327 -1.217 20 0 CAADHN CC[C@H](C)NC(=O)CNC[C@H](C)NC(=O)Cn1ncnn1 ZINC001483228218 892742351 /nfs/dbraw/zinc/74/23/51/892742351.db2.gz DACZXQDWNHDTJS-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cccc(=O)[nH]1 ZINC001483216550 892743016 /nfs/dbraw/zinc/74/30/16/892743016.db2.gz LMGTUHWGPWSBHK-ZETCQYMHSA-N 0 3 252.274 -1.020 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1ccn(C)c1 ZINC001483219226 892743072 /nfs/dbraw/zinc/74/30/72/892743072.db2.gz VUNQJPMKVFDIKG-QMMMGPOBSA-N 0 3 281.316 -1.072 20 0 CAADHN CCN(CC)C(=O)CNC[C@H](C)NC(=O)CC(N)=O ZINC001483216052 892743199 /nfs/dbraw/zinc/74/31/99/892743199.db2.gz XDQRMDLRPKRGJL-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)CNC(=O)OC ZINC001483211327 892743354 /nfs/dbraw/zinc/74/33/54/892743354.db2.gz IDPRNSOZQQOKLM-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CN[C@H]1CCCNC1=O ZINC001483210090 892743476 /nfs/dbraw/zinc/74/34/76/892743476.db2.gz OXFQQSRLPYVBEP-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1ncc[nH]1 ZINC001483224804 892743492 /nfs/dbraw/zinc/74/34/92/892743492.db2.gz PCBZGRKVHJGCPN-ZETCQYMHSA-N 0 3 282.304 -1.427 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1nccnc1N ZINC001483214908 892744027 /nfs/dbraw/zinc/74/40/27/892744027.db2.gz ABLGKYNWBJQXTK-BQBZGAKWSA-N 0 3 266.305 -1.360 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)[C@H](C)NC(N)=O ZINC001483222533 892744397 /nfs/dbraw/zinc/74/43/97/892744397.db2.gz ZYGGFNNJTBTGIY-CIUDSAMLSA-N 0 3 287.364 -1.386 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CN1CCOCC1 ZINC001483221012 892744668 /nfs/dbraw/zinc/74/46/68/892744668.db2.gz QVZSMBFBAVMDRB-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001483210131 892744748 /nfs/dbraw/zinc/74/47/48/892744748.db2.gz PGTOMLHSIMWJTO-WCBMZHEXSA-N 0 3 298.343 -1.636 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001483224578 892745088 /nfs/dbraw/zinc/74/50/88/892745088.db2.gz OTPCCVNFMGSJQZ-DTWKUNHWSA-N 0 3 286.332 -1.286 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001483222461 892745393 /nfs/dbraw/zinc/74/53/93/892745393.db2.gz XUWAMISBIHQIAI-FXQIFTODSA-N 0 3 273.337 -1.728 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001483234046 892746380 /nfs/dbraw/zinc/74/63/80/892746380.db2.gz IHVULJSSOIDYOW-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1nnn(C)n1)C(=O)NC1CC1 ZINC001483257361 892746695 /nfs/dbraw/zinc/74/66/95/892746695.db2.gz SLDVIVWDGBZSFI-JGVFFNPUSA-N 0 3 295.347 -1.415 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cn(C)ccc1=O ZINC001483247545 892747005 /nfs/dbraw/zinc/74/70/05/892747005.db2.gz NPRPGFILJIDREH-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H](C)CC(N)=O ZINC001483255388 892747142 /nfs/dbraw/zinc/74/71/42/892747142.db2.gz QPUSSCSZLVMVPZ-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN Cc1cncn1CC(=O)N[C@@H](C)CNCC(N)=O ZINC001483248563 892747433 /nfs/dbraw/zinc/74/74/33/892747433.db2.gz GJCZUIXEFOZPHJ-QMMMGPOBSA-N 0 3 253.306 -1.229 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCN1C(=O)CCC1=O ZINC001483247235 892747812 /nfs/dbraw/zinc/74/78/12/892747812.db2.gz VXPOJMINXMCRQM-QMMMGPOBSA-N 0 3 284.316 -1.895 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001483232549 892747937 /nfs/dbraw/zinc/74/79/37/892747937.db2.gz GAQZHUJKNNQXIB-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001483249706 892747968 /nfs/dbraw/zinc/74/79/68/892747968.db2.gz NMVMAZFMRNEZNN-QMMMGPOBSA-N 0 3 296.327 -1.163 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001483241376 892747978 /nfs/dbraw/zinc/74/79/78/892747978.db2.gz VGMGOESPLGPZQD-IUCAKERBSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cc2n(n1)CCO2)C(N)=O ZINC001483236350 892748044 /nfs/dbraw/zinc/74/80/44/892748044.db2.gz YQEIQRDTMACSJW-JGVFFNPUSA-N 0 3 281.316 -1.143 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)c1nnn(C)n1 ZINC001483257363 892748206 /nfs/dbraw/zinc/74/82/06/892748206.db2.gz SLDVIVWDGBZSFI-YUMQZZPRSA-N 0 3 295.347 -1.415 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cnn2cccnc12 ZINC001483255604 892748218 /nfs/dbraw/zinc/74/82/18/892748218.db2.gz PZLWUILEMVNTTC-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cc2n(n1)CCO2 ZINC001483236351 892748255 /nfs/dbraw/zinc/74/82/55/892748255.db2.gz YQEIQRDTMACSJW-YUMQZZPRSA-N 0 3 281.316 -1.143 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C(C)(C)C(N)=O ZINC001483237848 892748336 /nfs/dbraw/zinc/74/83/36/892748336.db2.gz YAJWFVANJNHUQO-JGVFFNPUSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001483254447 892748372 /nfs/dbraw/zinc/74/83/72/892748372.db2.gz DCFUOCUWRYSVJL-IUCAKERBSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C(C)(C)C(N)=O ZINC001483237852 892748416 /nfs/dbraw/zinc/74/84/16/892748416.db2.gz YAJWFVANJNHUQO-YUMQZZPRSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](CNCCS(C)(=O)=O)NC(=O)[C@@H]1CCNC1=O ZINC001483254998 892748573 /nfs/dbraw/zinc/74/85/73/892748573.db2.gz LFLYEQOLNKKZPL-DTWKUNHWSA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001483255389 892748595 /nfs/dbraw/zinc/74/85/95/892748595.db2.gz QPUSSCSZLVMVPZ-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccn(C)c(=O)c1 ZINC001483241264 892748860 /nfs/dbraw/zinc/74/88/60/892748860.db2.gz QTVQYRGXSWAEFH-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001483278008 892750560 /nfs/dbraw/zinc/75/05/60/892750560.db2.gz OMHFMNMUYVGXDS-QMMMGPOBSA-N 0 3 253.306 -1.208 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001483269426 892750587 /nfs/dbraw/zinc/75/05/87/892750587.db2.gz LLZFGHIBZMBEAR-RNJXMRFFSA-N 0 3 297.315 -2.433 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CCn1cnnn1)C(N)=O ZINC001483278942 892750658 /nfs/dbraw/zinc/75/06/58/892750658.db2.gz NZTAMEVACUCFEI-DTWKUNHWSA-N 0 3 283.336 -1.579 20 0 CAADHN CCCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001483283082 892750691 /nfs/dbraw/zinc/75/06/91/892750691.db2.gz FWEUVUFVXBUKEV-VIFPVBQESA-N 0 3 282.348 -1.032 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001483275612 892750724 /nfs/dbraw/zinc/75/07/24/892750724.db2.gz WWPNRPVVCBLSQH-QMMMGPOBSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCc1cnccn1 ZINC001483281021 892750881 /nfs/dbraw/zinc/75/08/81/892750881.db2.gz KMPPAUKAFXOHTI-VIFPVBQESA-N 0 3 265.317 -1.011 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCCCN(C)C1=O ZINC001483282358 892750947 /nfs/dbraw/zinc/75/09/47/892750947.db2.gz OWBIGRYGXDKJLG-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCCC(=O)N1C ZINC001483289354 892751296 /nfs/dbraw/zinc/75/12/96/892751296.db2.gz SPUXNMPJAYUYLF-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCCC(=O)N1C ZINC001483289353 892751569 /nfs/dbraw/zinc/75/15/69/892751569.db2.gz SPUXNMPJAYUYLF-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CCn1cnnn1)C(N)=O ZINC001483278944 892751767 /nfs/dbraw/zinc/75/17/67/892751767.db2.gz NZTAMEVACUCFEI-IUCAKERBSA-N 0 3 283.336 -1.579 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)c1c[nH]c(=O)cn1 ZINC001483261411 892751712 /nfs/dbraw/zinc/75/17/12/892751712.db2.gz YHNDOFWAXAKHQM-QMMMGPOBSA-N 0 3 293.327 -1.244 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCN1CCOCC1 ZINC001483274957 892751949 /nfs/dbraw/zinc/75/19/49/892751949.db2.gz RKZVXKFURKCOPB-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](C)CN[C@@H]2CCCNC2=O)CC1 ZINC001483275626 892751967 /nfs/dbraw/zinc/75/19/67/892751967.db2.gz XEUHSDYJQSCKOY-VHSXEESVSA-N 0 3 296.371 -1.115 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)Cn1cncn1 ZINC001483290123 892752054 /nfs/dbraw/zinc/75/20/54/892752054.db2.gz FJHIGDHIFMOPDW-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C(C)(C)NC(C)=O ZINC001483274588 892752215 /nfs/dbraw/zinc/75/22/15/892752215.db2.gz GXUOSXMKAQLEFL-QMMMGPOBSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](C[NH2+][C@@H]1CCN(C)C1=O)NC(=O)Cc1nnc[n-]1 ZINC001483283914 892752695 /nfs/dbraw/zinc/75/26/95/892752695.db2.gz UFNDUJWAWFIXQB-DTWKUNHWSA-N 0 3 280.332 -1.328 20 0 CAADHN CC(C)c1nnnn1CC(=O)N[C@@H](C)CNCC(N)=O ZINC001483273779 892752737 /nfs/dbraw/zinc/75/27/37/892752737.db2.gz YTOKQCRVVSYKBK-QMMMGPOBSA-N 0 3 283.336 -1.624 20 0 CAADHN C[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)NC(=O)Cc1nnc[n-]1 ZINC001483282915 892753268 /nfs/dbraw/zinc/75/32/68/892753268.db2.gz CUQXPRUASKYVPD-IUCAKERBSA-N 0 3 282.348 -1.082 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001483300509 892754653 /nfs/dbraw/zinc/75/46/53/892754653.db2.gz STXQTEGYCZUDKD-VIFPVBQESA-N 0 3 282.348 -1.412 20 0 CAADHN C[C@H](CN(C)CCOCCO)NC(=O)[C@H]1CCC(=O)N1 ZINC001483320247 892755407 /nfs/dbraw/zinc/75/54/07/892755407.db2.gz SZPREUFLOJKBSG-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001483300140 892755450 /nfs/dbraw/zinc/75/54/50/892755450.db2.gz NIYPCHRJXLROPU-AEJSXWLSSA-N 0 3 297.359 -1.488 20 0 CAADHN CC(=O)N[C@@H](C)CN(C)CCN1C(=O)CNC1=O ZINC001483302707 892755723 /nfs/dbraw/zinc/75/57/23/892755723.db2.gz DRNMOBHWTYNSOC-QMMMGPOBSA-N 0 3 256.306 -1.005 20 0 CAADHN Cc1nonc1C(=O)N[C@@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001483299627 892755954 /nfs/dbraw/zinc/75/59/54/892755954.db2.gz DWFRTTPAUZDXJU-POYBYMJQSA-N 0 3 295.299 -1.109 20 0 CAADHN C[C@@H](CN(C)CCOCCO)NC(=O)[C@H]1CCC(=O)N1 ZINC001483320248 892757129 /nfs/dbraw/zinc/75/71/29/892757129.db2.gz SZPREUFLOJKBSG-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@@H](C)CNCC(=O)NC ZINC001483295132 892757345 /nfs/dbraw/zinc/75/73/45/892757345.db2.gz DLXBOYXTEQZNOO-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@@H](CN(C)CC(N)=O)NC(=O)C1=NC(=O)N(C)C1 ZINC001483381115 892758248 /nfs/dbraw/zinc/75/82/48/892758248.db2.gz UALCAQFQNGOXIR-ZETCQYMHSA-N 0 3 269.305 -1.339 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@H](C)CN(C)CCO ZINC001483358003 892758573 /nfs/dbraw/zinc/75/85/73/892758573.db2.gz QQRCNELUWVMIRG-SECBINFHSA-N 0 3 288.348 -2.333 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001483383027 892759172 /nfs/dbraw/zinc/75/91/72/892759172.db2.gz DORVOBMSWBFJMX-AXFHLTTASA-N 0 3 294.359 -1.164 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@H](C)NC(=O)Cc1nnc[nH]1 ZINC001483406048 892760248 /nfs/dbraw/zinc/76/02/48/892760248.db2.gz PTUDMHGIOONUGC-JGVFFNPUSA-N 0 3 268.321 -1.343 20 0 CAADHN CNC(=O)NC(=O)CN(C)C[C@@H](C)NC(=O)c1nc[nH]n1 ZINC001483398219 892760426 /nfs/dbraw/zinc/76/04/26/892760426.db2.gz QQMRAOHIOLURBD-SSDOTTSWSA-N 0 3 297.319 -1.690 20 0 CAADHN CCC[C@@H](C(=O)N[C@@H](C)CN(C)CCO)S(N)(=O)=O ZINC001483366979 892760590 /nfs/dbraw/zinc/76/05/90/892760590.db2.gz AFOIZZPKRHUOMC-UWVGGRQHSA-N 0 3 295.405 -1.128 20 0 CAADHN C[C@H](CN(C)[C@@H](C)C(N)=O)NC(=O)Cc1nnc[nH]1 ZINC001483406049 892761325 /nfs/dbraw/zinc/76/13/25/892761325.db2.gz PTUDMHGIOONUGC-SFYZADRCSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)C1CC(=O)NC(=O)C1 ZINC001483396973 892761917 /nfs/dbraw/zinc/76/19/17/892761917.db2.gz SUTYVCCJJWFLBG-MRVPVSSYSA-N 0 3 271.317 -1.532 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001483416175 892763176 /nfs/dbraw/zinc/76/31/76/892763176.db2.gz SWTDRSZHWLWMCZ-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN C[C@H](NC[C@H](NC(=O)C(N)=O)C1CC1)C(=O)NC1CC1 ZINC001483586524 892768723 /nfs/dbraw/zinc/76/87/23/892768723.db2.gz RNAPAITYSMFZEA-XVKPBYJWSA-N 0 3 282.344 -1.377 20 0 CAADHN Cn1ccc(=O)c(C(=O)N[C@H](CNCC(N)=O)C2CC2)c1 ZINC001483572378 892768954 /nfs/dbraw/zinc/76/89/54/892768954.db2.gz BKASOZSJHOLMQW-LLVKDONJSA-N 0 3 292.339 -1.031 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001483549300 892768989 /nfs/dbraw/zinc/76/89/89/892768989.db2.gz HAUSNQVQVWVSGN-VIFPVBQESA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)C(N)=O)C1CC1)C(=O)NC1CC1 ZINC001483586521 892769173 /nfs/dbraw/zinc/76/91/73/892769173.db2.gz RNAPAITYSMFZEA-OIBJUYFYSA-N 0 3 282.344 -1.377 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001483558465 892769332 /nfs/dbraw/zinc/76/93/32/892769332.db2.gz PCQBZBNQQKPVJA-WPRPVWTQSA-N 0 3 299.375 -1.336 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1COCCO1)C1CC1 ZINC001483545087 892769714 /nfs/dbraw/zinc/76/97/14/892769714.db2.gz KINDATPOSAAMCS-WDEREUQCSA-N 0 3 285.344 -1.368 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001483584373 892769951 /nfs/dbraw/zinc/76/99/51/892769951.db2.gz WGPTZCYTTJOUQJ-SNVBAGLBSA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)C(=O)N[C@H](CN[C@@H]1CCCNC1=O)C1CC1 ZINC001483584039 892770164 /nfs/dbraw/zinc/77/01/64/892770164.db2.gz SPSHIAQXNYNBNJ-RKDXNWHRSA-N 0 3 268.317 -1.765 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)c1c[nH]c(=O)cn1)C1CC1)C(N)=O ZINC001483582586 892770424 /nfs/dbraw/zinc/77/04/24/892770424.db2.gz DKPOYAOBEULLNX-APPZFPTMSA-N 0 3 293.327 -1.258 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CCn1cncn1)C1CC1 ZINC001483545576 892770581 /nfs/dbraw/zinc/77/05/81/892770581.db2.gz SVMQRFNVKARSRG-LLVKDONJSA-N 0 3 294.359 -1.101 20 0 CAADHN Cn1ccc(=O)c(C(=O)N[C@@H](CNCC(N)=O)C2CC2)c1 ZINC001483572382 892770689 /nfs/dbraw/zinc/77/06/89/892770689.db2.gz BKASOZSJHOLMQW-NSHDSACASA-N 0 3 292.339 -1.031 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001483582970 892770900 /nfs/dbraw/zinc/77/09/00/892770900.db2.gz IGFGOPWNNUGENU-MRVPVSSYSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001483604277 892774984 /nfs/dbraw/zinc/77/49/84/892774984.db2.gz NPZUZUGOWJYLCZ-SCZZXKLOSA-N 0 3 299.375 -1.336 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)Cn1ccccc1=O)C1CC1 ZINC001483605017 892775218 /nfs/dbraw/zinc/77/52/18/892775218.db2.gz CAOKZYSNXKDSCF-NSHDSACASA-N 0 3 292.339 -1.182 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@H]2CCC(=O)N2)CC1)C(N)=O ZINC001483722279 892785241 /nfs/dbraw/zinc/78/52/41/892785241.db2.gz UJGGZPYYKRNMLL-RKDXNWHRSA-N 0 3 282.344 -1.233 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1)C(N)=O ZINC001483758126 892787320 /nfs/dbraw/zinc/78/73/20/892787320.db2.gz BGCFVAXCCWOFRR-DTWKUNHWSA-N 0 3 297.359 -1.488 20 0 CAADHN Cn1nnnc1CNC1(CNC(=O)Cc2cnc[nH]2)CC1 ZINC001483771551 892788182 /nfs/dbraw/zinc/78/81/82/892788182.db2.gz UXQMXFAZQSSSNU-UHFFFAOYSA-N 0 3 290.331 -1.086 20 0 CAADHN CCS(=O)(=O)CCCNC1(CNC(=O)C(N)=O)CC1 ZINC001483763562 892788355 /nfs/dbraw/zinc/78/83/55/892788355.db2.gz KJIUSZIWPLOYPB-UHFFFAOYSA-N 0 3 291.373 -1.465 20 0 CAADHN COC[C@@H](O)CNC1(CNC(=O)C(=O)NCC2CC2)CC1 ZINC001483778083 892788909 /nfs/dbraw/zinc/78/89/09/892788909.db2.gz AUXHUXKIQKQBME-NSHDSACASA-N 0 3 299.371 -1.242 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001483928127 892794955 /nfs/dbraw/zinc/79/49/55/892794955.db2.gz YIBGLKQKHAJNHV-YUMQZZPRSA-N 0 3 271.321 -1.891 20 0 CAADHN C[C@]1(NC(=O)[C@H]2CCC(=O)N2)CCN(CCOCCO)C1 ZINC001484038917 892795165 /nfs/dbraw/zinc/79/51/65/892795165.db2.gz XZECEGVOWIZYGK-RISCZKNCSA-N 0 3 299.371 -1.146 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H]1CCCN1C(=O)C(N)=O ZINC001483942270 892795452 /nfs/dbraw/zinc/79/54/52/892795452.db2.gz HPZMUPIZMGVHPR-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)NC ZINC001483932520 892796240 /nfs/dbraw/zinc/79/62/40/892796240.db2.gz IRVVBASRORGKJQ-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN COCC(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001483918190 892796331 /nfs/dbraw/zinc/79/63/31/892796331.db2.gz VDKNUJCMPBPQDX-QMMMGPOBSA-N 0 3 272.305 -1.592 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)c1cn(C)nn1 ZINC001483928443 892796590 /nfs/dbraw/zinc/79/65/90/892796590.db2.gz GNNFIHLAXBMEBB-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)CNC(=O)C1CC1)C(N)=O ZINC001483921695 892797216 /nfs/dbraw/zinc/79/72/16/892797216.db2.gz ONUXNUYZEOJJEC-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN Cc1ncncc1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001484205976 892805088 /nfs/dbraw/zinc/80/50/88/892805088.db2.gz VQZPYRWJIODSHQ-ZDUSSCGKSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1ncncc1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001484205975 892805636 /nfs/dbraw/zinc/80/56/36/892805636.db2.gz VQZPYRWJIODSHQ-CYBMUJFWSA-N 0 3 280.328 -1.056 20 0 CAADHN CNC(=O)CCCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001484213117 892806091 /nfs/dbraw/zinc/80/60/91/892806091.db2.gz DTNAMPXDFYFWOK-CYBMUJFWSA-N 0 3 287.360 -1.552 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2nccnc2N)C1 ZINC001484210684 892808578 /nfs/dbraw/zinc/80/85/78/892808578.db2.gz JFCGMHIEEQOUFV-ZDUSSCGKSA-N 0 3 295.343 -1.128 20 0 CAADHN COCCCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001484204614 892809559 /nfs/dbraw/zinc/80/95/59/892809559.db2.gz AFIRVRNIZFSBDD-LBPRGKRZSA-N 0 3 260.334 -1.042 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2nccnc2N)C1 ZINC001484210683 892810908 /nfs/dbraw/zinc/81/09/08/892810908.db2.gz JFCGMHIEEQOUFV-CYBMUJFWSA-N 0 3 295.343 -1.128 20 0 CAADHN O=C(NCC(F)F)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001484226297 892813751 /nfs/dbraw/zinc/81/37/51/892813751.db2.gz XJCZZPFNDIAAJP-LLVKDONJSA-N 0 3 295.286 -2.087 20 0 CAADHN CO[C@@H](C(=O)NC[C@]1(O)CCN(CCO)C1)C1CC1 ZINC001484218700 892814961 /nfs/dbraw/zinc/81/49/61/892814961.db2.gz YQCOQDPYDOVKGS-DGCLKSJQSA-N 0 3 272.345 -1.043 20 0 CAADHN O=C(C[C@H]1CCCC(=O)N1)NC[C@]1(O)CCN(CCO)C1 ZINC001484227161 892815777 /nfs/dbraw/zinc/81/57/77/892815777.db2.gz BNBYTEJZXPNXGW-BXUZGUMPSA-N 0 3 299.371 -1.410 20 0 CAADHN CO[C@H](C(=O)NC[C@@]1(O)CCN(CCO)C1)C1CC1 ZINC001484218699 892817631 /nfs/dbraw/zinc/81/76/31/892817631.db2.gz YQCOQDPYDOVKGS-AAEUAGOBSA-N 0 3 272.345 -1.043 20 0 CAADHN O=C(CCn1ccnc1)NC[C@@]1(O)CCN(CCO)C1 ZINC001484232133 892819051 /nfs/dbraw/zinc/81/90/51/892819051.db2.gz SVDSWYRTBZMXMK-ZDUSSCGKSA-N 0 3 282.344 -1.182 20 0 CAADHN NC(=O)NCCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001484249698 892821145 /nfs/dbraw/zinc/82/11/45/892821145.db2.gz BAHFKBYMFXTNIS-NSHDSACASA-N 0 3 274.321 -2.410 20 0 CAADHN CO[C@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001484247418 892825586 /nfs/dbraw/zinc/82/55/86/892825586.db2.gz SQQJLGRLZAUOGG-MFKMUULPSA-N 0 3 297.359 -1.065 20 0 CAADHN CO[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001484247418 892825606 /nfs/dbraw/zinc/82/56/06/892825606.db2.gz SQQJLGRLZAUOGG-MFKMUULPSA-N 0 3 297.359 -1.065 20 0 CAADHN COc1cncc(C(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001484242612 892825892 /nfs/dbraw/zinc/82/58/92/892825892.db2.gz XKJAOMXMNLCNIQ-CYBMUJFWSA-N 0 3 296.327 -1.356 20 0 CAADHN CC(C)N1CCC[C@H]1C(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001484271924 892836915 /nfs/dbraw/zinc/83/69/15/892836915.db2.gz ALGDJOFHFNKSSP-NSHDSACASA-N 0 3 298.387 -1.493 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2C1 ZINC001484402614 892853109 /nfs/dbraw/zinc/85/31/09/892853109.db2.gz SVPURXQTPNGQKH-TUAOUCFPSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H](O)CN1CCC[C@@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001484426215 892855658 /nfs/dbraw/zinc/85/56/58/892855658.db2.gz JEUQIKXWJRMITF-ZYHUDNBSSA-N 0 3 298.347 -2.003 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]2[C@H]1CCN2CCOCCO ZINC001484463251 892857127 /nfs/dbraw/zinc/85/71/27/892857127.db2.gz PWQUFYKDPANQKS-WDEREUQCSA-N 0 3 285.344 -1.454 20 0 CAADHN O=C([C@H]1CCCO1)N(CCO)CCN[C@H]1CCNC1=O ZINC001484476621 892861385 /nfs/dbraw/zinc/86/13/85/892861385.db2.gz IGVWLQJIDWJOIC-WDEREUQCSA-N 0 3 285.344 -1.536 20 0 CAADHN O=C(c1ccncc1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484474472 892861469 /nfs/dbraw/zinc/86/14/69/892861469.db2.gz IKOSJYINBCYYPJ-GFCCVEGCSA-N 0 3 292.339 -1.006 20 0 CAADHN CNC(=O)NC(=O)CNCCN(CCO)C(=O)C(F)F ZINC001484473770 892861542 /nfs/dbraw/zinc/86/15/42/892861542.db2.gz IITURZCRPNOIOX-UHFFFAOYSA-N 0 3 296.274 -1.882 20 0 CAADHN Cn1ccc(C(=O)N(CCO)CCNCC(N)=O)c1 ZINC001484480493 892861620 /nfs/dbraw/zinc/86/16/20/892861620.db2.gz IPANKCNMONYHAS-UHFFFAOYSA-N 0 3 268.317 -1.466 20 0 CAADHN CC(=O)N(CCO)CCNCC(=O)N1CCO[C@H](C)C1 ZINC001484473724 892862141 /nfs/dbraw/zinc/86/21/41/892862141.db2.gz FYCLCAMYCKQTCS-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN O=C(C[C@H]1CCCO1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484476562 892862769 /nfs/dbraw/zinc/86/27/69/892862769.db2.gz ZXWNHGKVQZRYDW-VXGBXAGGSA-N 0 3 299.371 -1.146 20 0 CAADHN O=C([C@@H]1CCCO1)N(CCO)CCN[C@H]1CCNC1=O ZINC001484476620 892863283 /nfs/dbraw/zinc/86/32/83/892863283.db2.gz IGVWLQJIDWJOIC-QWRGUYRKSA-N 0 3 285.344 -1.536 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cn(C)cn1)C(N)=O ZINC001484480424 892863511 /nfs/dbraw/zinc/86/35/11/892863511.db2.gz GTIRRASHZMGOIX-VIFPVBQESA-N 0 3 283.332 -1.682 20 0 CAADHN CO[C@@H](C)C(=O)N(CCO)CCN[C@@H]1CCN(C)C1=O ZINC001484477343 892863671 /nfs/dbraw/zinc/86/36/71/892863671.db2.gz JPEYNBUGHAOVKM-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)Cn1cccn1 ZINC001484475152 892863842 /nfs/dbraw/zinc/86/38/42/892863842.db2.gz LJUZDIJXBQRMGA-UHFFFAOYSA-N 0 3 283.332 -1.960 20 0 CAADHN O=C([C@H]1CCCO1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484476618 892863997 /nfs/dbraw/zinc/86/39/97/892863997.db2.gz IGVWLQJIDWJOIC-GHMZBOCLSA-N 0 3 285.344 -1.536 20 0 CAADHN O=C(c1cc[nH]n1)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001484476095 892864718 /nfs/dbraw/zinc/86/47/18/892864718.db2.gz RADLQSRNQUMUQR-SNVBAGLBSA-N 0 3 295.343 -1.288 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C(F)F)C(=O)NC(N)=O ZINC001484473793 892864846 /nfs/dbraw/zinc/86/48/46/892864846.db2.gz JHZLHBWMWRWTAR-LURJTMIESA-N 0 3 296.274 -1.755 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1cnns1 ZINC001484477806 892865029 /nfs/dbraw/zinc/86/50/29/892865029.db2.gz WPBPPGOFRZYDCW-UHFFFAOYSA-N 0 3 273.318 -1.953 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cnn(C)c1 ZINC001484474984 892865119 /nfs/dbraw/zinc/86/51/19/892865119.db2.gz FHZNZNPFZMUXHT-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN O=C(c1ccncc1)N(CCO)CCN[C@H]1CCNC1=O ZINC001484474473 892865226 /nfs/dbraw/zinc/86/52/26/892865226.db2.gz IKOSJYINBCYYPJ-LBPRGKRZSA-N 0 3 292.339 -1.006 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)Cc1ccoc1 ZINC001484482977 892866073 /nfs/dbraw/zinc/86/60/73/892866073.db2.gz UVBWYQMQRMEFNW-UHFFFAOYSA-N 0 3 283.328 -1.021 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001484491095 892866098 /nfs/dbraw/zinc/86/60/98/892866098.db2.gz MSJPSFJIBNZYMU-DCAQKATOSA-N 0 3 269.345 -1.059 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1n[nH]nc1C)C(N)=O ZINC001484489719 892866829 /nfs/dbraw/zinc/86/68/29/892866829.db2.gz ARFFQVQQXPDGSH-SECBINFHSA-N 0 3 298.347 -1.599 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H]1COC(=O)N1 ZINC001484481157 892867539 /nfs/dbraw/zinc/86/75/39/892867539.db2.gz FVOZFIJJTCPQQJ-QMMMGPOBSA-N 0 3 288.304 -2.749 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001484490972 892867752 /nfs/dbraw/zinc/86/77/52/892867752.db2.gz JMKMNOWZRNRFAB-KXNHARMFSA-N 0 3 299.371 -1.447 20 0 CAADHN O=C(N(CCO)CCN[C@@H]1CCNC1=O)[C@]12C[C@H]1COC2 ZINC001484483220 892867770 /nfs/dbraw/zinc/86/77/70/892867770.db2.gz FLXTXGVJDDKYON-WDMOLILDSA-N 0 3 297.355 -1.678 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484491096 892868674 /nfs/dbraw/zinc/86/86/74/892868674.db2.gz MSJPSFJIBNZYMU-GARJFASQSA-N 0 3 269.345 -1.059 20 0 CAADHN Cc1ncccc1C(=O)N(CCO)CCNCC(N)=O ZINC001484493558 892870677 /nfs/dbraw/zinc/87/06/77/892870677.db2.gz SSBLCEZZUKJKOD-UHFFFAOYSA-N 0 3 280.328 -1.101 20 0 CAADHN Cc1cnoc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001484495940 892870546 /nfs/dbraw/zinc/87/05/46/892870546.db2.gz BOQDPZUDIACXKQ-VIFPVBQESA-N 0 3 284.316 -1.119 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)Cc1cnc[nH]1 ZINC001484495412 892870835 /nfs/dbraw/zinc/87/08/35/892870835.db2.gz LSTADYMHRJOXLA-UHFFFAOYSA-N 0 3 283.332 -1.891 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N(CCO)CCN[C@H]1CCNC1=O ZINC001484499420 892870901 /nfs/dbraw/zinc/87/09/01/892870901.db2.gz SRPAAIRRHRLVAF-UWVGGRQHSA-N 0 3 298.343 -2.436 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C[C@@H]1CCC(=O)N1 ZINC001484495958 892871469 /nfs/dbraw/zinc/87/14/69/892871469.db2.gz IHBXEIQROGFXNF-VIFPVBQESA-N 0 3 286.332 -2.449 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ccncn1)C(N)=O ZINC001484497074 892873114 /nfs/dbraw/zinc/87/31/14/892873114.db2.gz NBVLSRHFORIUGO-SECBINFHSA-N 0 3 281.316 -1.626 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)c1ccncn1 ZINC001484496398 892873213 /nfs/dbraw/zinc/87/32/13/892873213.db2.gz FURJHZFVCBDMAP-UHFFFAOYSA-N 0 3 295.343 -1.363 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCNCC(N)=O)ccn1 ZINC001484497753 892873317 /nfs/dbraw/zinc/87/33/17/892873317.db2.gz WOVPGSRLAMCYOI-UHFFFAOYSA-N 0 3 280.328 -1.101 20 0 CAADHN Cc1ncccc1CC(=O)N(CCO)CCNCC(N)=O ZINC001484493736 892873468 /nfs/dbraw/zinc/87/34/68/892873468.db2.gz JMLYKXQSYHVPJB-UHFFFAOYSA-N 0 3 294.355 -1.172 20 0 CAADHN C[C@]1(C(=O)N(CCO)CCNCC(N)=O)CCOC1 ZINC001484496309 892873868 /nfs/dbraw/zinc/87/38/68/892873868.db2.gz DOLDNOXNUZPWIF-LBPRGKRZSA-N 0 3 273.333 -1.691 20 0 CAADHN COCCC(=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001484666254 892878085 /nfs/dbraw/zinc/87/80/85/892878085.db2.gz ZBUICBAGVQMJKO-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCC1(NCC(N)=O)CCC1 ZINC001484622822 892878560 /nfs/dbraw/zinc/87/85/60/892878560.db2.gz FNUMUIFQMJEFFX-QMMMGPOBSA-N 0 3 270.333 -1.375 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cn2ccccc2=O)CCC1 ZINC001484661360 892878608 /nfs/dbraw/zinc/87/86/08/892878608.db2.gz NRHUVLMLZDEKOS-UHFFFAOYSA-N 0 3 292.339 -1.038 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)CNC(C)=O)CCO1 ZINC001484665655 892878666 /nfs/dbraw/zinc/87/86/66/892878666.db2.gz MOQYVCVDIGKMSM-SNVBAGLBSA-N 0 3 286.332 -2.315 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCC1(NCC(N)=O)CCC1 ZINC001484622821 892878756 /nfs/dbraw/zinc/87/87/56/892878756.db2.gz FNUMUIFQMJEFFX-MRVPVSSYSA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCC1(NCC(N)=O)CCC1 ZINC001484630888 892878894 /nfs/dbraw/zinc/87/88/94/892878894.db2.gz LQAGBSQVMYDCNP-ZETCQYMHSA-N 0 3 271.321 -1.843 20 0 CAADHN CNC(=O)NCC(=O)NCC1(NCC(N)=O)CCC1 ZINC001484636623 892879370 /nfs/dbraw/zinc/87/93/70/892879370.db2.gz GVOYDMWLOOWKLM-UHFFFAOYSA-N 0 3 271.321 -1.971 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ccc[nH]2)CCO1 ZINC001484666680 892879571 /nfs/dbraw/zinc/87/95/71/892879571.db2.gz GOCPKTQBCMRPHT-VIFPVBQESA-N 0 3 266.301 -1.069 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CCNC1=O ZINC001484618403 892879756 /nfs/dbraw/zinc/87/97/56/892879756.db2.gz WJRJHPOOSSQBGZ-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CCOC)CCO1 ZINC001484665301 892880285 /nfs/dbraw/zinc/88/02/85/892880285.db2.gz DZOUKMSWZNCUND-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN Cc1ncncc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484669311 892881564 /nfs/dbraw/zinc/88/15/64/892881564.db2.gz SZDHUMZSEHMVOP-SNVBAGLBSA-N 0 3 293.327 -1.299 20 0 CAADHN Cn1nncc1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001484632986 892881592 /nfs/dbraw/zinc/88/15/92/892881592.db2.gz VMQDRUUGIFHOLU-UHFFFAOYSA-N 0 3 266.305 -1.458 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@H](CNCCF)C1 ZINC001484688377 892882648 /nfs/dbraw/zinc/88/26/48/892882648.db2.gz VYVUGDQNBLDMCY-BDAKNGLRSA-N 0 3 274.296 -1.546 20 0 CAADHN C/C=C(\C)C(=O)N1CCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001484676547 892882764 /nfs/dbraw/zinc/88/27/64/892882764.db2.gz YEYVPQMGQJQDRB-RZCNENHTSA-N 0 3 298.343 -1.036 20 0 CAADHN CCc1n[nH]cc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484682473 892882901 /nfs/dbraw/zinc/88/29/01/892882901.db2.gz PAJQXTUYFXCRCZ-VIFPVBQESA-N 0 3 295.343 -1.112 20 0 CAADHN COC[C@@H](C)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484671204 892883036 /nfs/dbraw/zinc/88/30/36/892883036.db2.gz MSPFYTFOLYQILK-NXEZZACHSA-N 0 3 273.333 -1.429 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@@H](CNCCF)C1 ZINC001484688383 892883174 /nfs/dbraw/zinc/88/31/74/892883174.db2.gz VYVUGDQNBLDMCY-DTWKUNHWSA-N 0 3 274.296 -1.546 20 0 CAADHN Cc1c[nH]nc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484675268 892883961 /nfs/dbraw/zinc/88/39/61/892883961.db2.gz VXKZABRBGFJLOI-SECBINFHSA-N 0 3 281.316 -1.366 20 0 CAADHN CCc1n[nH]cc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484682472 892884300 /nfs/dbraw/zinc/88/43/00/892884300.db2.gz PAJQXTUYFXCRCZ-SECBINFHSA-N 0 3 295.343 -1.112 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001484677203 892884412 /nfs/dbraw/zinc/88/44/12/892884412.db2.gz JMJWHAROSMSBAC-QMMMGPOBSA-N 0 3 283.292 -3.025 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001484677202 892884439 /nfs/dbraw/zinc/88/44/39/892884439.db2.gz JMJWHAROSMSBAC-MRVPVSSYSA-N 0 3 283.292 -3.025 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)CCO1 ZINC001484682367 892884737 /nfs/dbraw/zinc/88/47/37/892884737.db2.gz MQVWZYYPQLLABT-ZJUUUORDSA-N 0 3 298.343 -2.185 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H](CNCCF)C1 ZINC001484688385 892884895 /nfs/dbraw/zinc/88/48/95/892884895.db2.gz VYVUGDQNBLDMCY-IUCAKERBSA-N 0 3 274.296 -1.546 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001484673065 892885451 /nfs/dbraw/zinc/88/54/51/892885451.db2.gz DOHOQCYHCAQDIX-QMMMGPOBSA-N 0 3 267.289 -1.674 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCC(=O)NC2)CCO1 ZINC001484682365 892885661 /nfs/dbraw/zinc/88/56/61/892885661.db2.gz MQVWZYYPQLLABT-UWVGGRQHSA-N 0 3 298.343 -2.185 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001484674888 892885745 /nfs/dbraw/zinc/88/57/45/892885745.db2.gz SXPUIPGZFSDDOJ-VIFPVBQESA-N 0 3 281.316 -1.414 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484688390 892885893 /nfs/dbraw/zinc/88/58/93/892885893.db2.gz JRNOUDTVZQRUSC-GUBZILKMSA-N 0 3 255.318 -1.055 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001484670751 892886134 /nfs/dbraw/zinc/88/61/34/892886134.db2.gz MBHNGCXVTJWMLA-ZJUUUORDSA-N 0 3 295.343 -1.025 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)CC(N)=O)CCO1)C(N)=O ZINC001484676733 892886321 /nfs/dbraw/zinc/88/63/21/892886321.db2.gz ZWYNLIHISBXQEZ-HTQZYQBOSA-N 0 3 272.305 -2.447 20 0 CAADHN Cc1c[nH]nc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484675270 892886351 /nfs/dbraw/zinc/88/63/51/892886351.db2.gz VXKZABRBGFJLOI-VIFPVBQESA-N 0 3 281.316 -1.366 20 0 CAADHN C[C@@]1(C(=O)N2CCO[C@H](CNCC(N)=O)C2)CCOC1 ZINC001484695655 892887210 /nfs/dbraw/zinc/88/72/10/892887210.db2.gz MVDUTYVLXAPCIV-ZWNOBZJWSA-N 0 3 285.344 -1.285 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001484697661 892887832 /nfs/dbraw/zinc/88/78/32/892887832.db2.gz WGMWUMSTXWLBJQ-DTWKUNHWSA-N 0 3 296.331 -1.630 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001484696306 892888028 /nfs/dbraw/zinc/88/80/28/892888028.db2.gz PRBYYTMHBVYIEY-SECBINFHSA-N 0 3 296.331 -1.629 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001484697667 892889918 /nfs/dbraw/zinc/88/99/18/892889918.db2.gz WGMWUMSTXWLBJQ-RKDXNWHRSA-N 0 3 296.331 -1.630 20 0 CAADHN COCC(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001484854902 892894505 /nfs/dbraw/zinc/89/45/05/892894505.db2.gz GYAKILLSOUANKO-UHFFFAOYSA-N 0 3 259.306 -1.627 20 0 CAADHN COC(=O)NCC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001484879255 892896923 /nfs/dbraw/zinc/89/69/23/892896923.db2.gz JEJVMPPGPRCITL-JGVFFNPUSA-N 0 3 272.305 -1.736 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1C ZINC001484893614 892896944 /nfs/dbraw/zinc/89/69/44/892896944.db2.gz CAEIXCXDXYSVDL-IUCAKERBSA-N 0 3 295.343 -1.078 20 0 CAADHN CO[C@@H](C)C(=O)N1CCC(O)(CN[C@@H](C)C(N)=O)CC1 ZINC001484950383 892897390 /nfs/dbraw/zinc/89/73/90/892897390.db2.gz DTRLZMBJJKFQQF-UWVGGRQHSA-N 0 3 287.360 -1.162 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC001484906612 892897580 /nfs/dbraw/zinc/89/75/80/892897580.db2.gz MXMXWBKAQAWLFD-QWRGUYRKSA-N 0 3 294.359 -1.149 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001484897036 892897680 /nfs/dbraw/zinc/89/76/80/892897680.db2.gz GAKUEIKUIVVNGT-GXSJLCMTSA-N 0 3 296.371 -1.223 20 0 CAADHN CO[C@H](C)C(=O)N1CCC(O)(CN[C@H](C)C(N)=O)CC1 ZINC001484950382 892898145 /nfs/dbraw/zinc/89/81/45/892898145.db2.gz DTRLZMBJJKFQQF-NXEZZACHSA-N 0 3 287.360 -1.162 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CN(C(C)=O)C[C@@H]1C ZINC001484877550 892898543 /nfs/dbraw/zinc/89/85/43/892898543.db2.gz FGDAINAFSBTMDX-CBAPKCEASA-N 0 3 256.306 -1.102 20 0 CAADHN Cc1nc(CNCC2(O)CCN(C(=O)C(N)=O)CC2)n[nH]1 ZINC001484958968 892899633 /nfs/dbraw/zinc/89/96/33/892899633.db2.gz CELMQMPCIDXGPH-UHFFFAOYSA-N 0 3 296.331 -1.958 20 0 CAADHN Cc1nc(C(=O)N2CCC(O)(CNCC(N)=O)CC2)c[nH]1 ZINC001484950473 892899806 /nfs/dbraw/zinc/89/98/06/892899806.db2.gz ZKDZZGDPTKXZSY-UHFFFAOYSA-N 0 3 295.343 -1.240 20 0 CAADHN CCCNC(=O)CN[C@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001484884955 892899868 /nfs/dbraw/zinc/89/98/68/892899868.db2.gz PECLCEKVUPWQOJ-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cc2cnoc2)CCOCC1 ZINC001484867772 892900135 /nfs/dbraw/zinc/90/01/35/892900135.db2.gz PVVUWWGFOCMFSI-UHFFFAOYSA-N 0 3 296.327 -1.043 20 0 CAADHN CCCNC(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001484884954 892900226 /nfs/dbraw/zinc/90/02/26/892900226.db2.gz PECLCEKVUPWQOJ-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN COc1cncc(CN[C@@H](C)CCNC(=O)C(N)=O)n1 ZINC001484997831 892901502 /nfs/dbraw/zinc/90/15/02/892901502.db2.gz OJBBXKIKZXSJSG-QMMMGPOBSA-N 0 3 281.316 -1.045 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCNC1=O ZINC001485038702 892903421 /nfs/dbraw/zinc/90/34/21/892903421.db2.gz AJOFHMBICTXVGO-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)C(N)=O ZINC001485039114 892903635 /nfs/dbraw/zinc/90/36/35/892903635.db2.gz CECRBXRGJDQXNG-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCNC1=O ZINC001485038703 892904115 /nfs/dbraw/zinc/90/41/15/892904115.db2.gz AJOFHMBICTXVGO-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001485024285 892904132 /nfs/dbraw/zinc/90/41/32/892904132.db2.gz LXJIHGZFRSZFKN-QMMMGPOBSA-N 0 3 259.306 -2.204 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001485129178 892905805 /nfs/dbraw/zinc/90/58/05/892905805.db2.gz UQJACDQEQHBZNO-BQBZGAKWSA-N 0 3 265.335 -2.001 20 0 CAADHN CN(CCO)C[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001485074496 892905956 /nfs/dbraw/zinc/90/59/56/892905956.db2.gz ZLHBBGIXEFSWJY-NSHDSACASA-N 0 3 282.348 -1.022 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1cnccn1 ZINC001485120111 892906042 /nfs/dbraw/zinc/90/60/42/892906042.db2.gz WWCMEFLHNSGLIV-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)Cn1cccn1 ZINC001485120009 892906532 /nfs/dbraw/zinc/90/65/32/892906532.db2.gz GAOZNHZZAKXSCI-RKDXNWHRSA-N 0 3 296.331 -1.439 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cnccn1 ZINC001485120113 892906761 /nfs/dbraw/zinc/90/67/61/892906761.db2.gz WWCMEFLHNSGLIV-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001485129182 892907860 /nfs/dbraw/zinc/90/78/60/892907860.db2.gz UQJACDQEQHBZNO-RQJHMYQMSA-N 0 3 265.335 -2.001 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)COCc1ccnn1C ZINC001485164307 892909089 /nfs/dbraw/zinc/90/90/89/892909089.db2.gz RZMZOWFWIMLWSK-UWVGGRQHSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@@H](NC(=O)Cn1cnc(C(N)=O)n1)[C@H](C)NCCF ZINC001485147751 892909279 /nfs/dbraw/zinc/90/92/79/892909279.db2.gz QKXXBSWOSPSFPI-JGVFFNPUSA-N 0 3 286.311 -1.171 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001485179974 892909397 /nfs/dbraw/zinc/90/93/97/892909397.db2.gz ABNKOYZYXBZZLL-HTQZYQBOSA-N 0 3 283.336 -1.557 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001485166452 892909468 /nfs/dbraw/zinc/90/94/68/892909468.db2.gz PJKPDGKDWXPVIU-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001485181517 892909599 /nfs/dbraw/zinc/90/95/99/892909599.db2.gz MPXPFWDYUCAGQL-DTWKUNHWSA-N 0 3 297.363 -1.169 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001485189280 892909617 /nfs/dbraw/zinc/90/96/17/892909617.db2.gz GWTPIDMAVZVQHQ-ZJUUUORDSA-N 0 3 296.375 -1.024 20 0 CAADHN COCCn1cc(C(=O)N[C@H](C)[C@@H](C)NCC(N)=O)nn1 ZINC001485147605 892909632 /nfs/dbraw/zinc/90/96/32/892909632.db2.gz PUAXZJDKFPGBRU-RKDXNWHRSA-N 0 3 298.347 -1.494 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001485189279 892910453 /nfs/dbraw/zinc/91/04/53/892910453.db2.gz GWTPIDMAVZVQHQ-VHSXEESVSA-N 0 3 296.375 -1.024 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)COCc1ccnn1C ZINC001485164306 892910487 /nfs/dbraw/zinc/91/04/87/892910487.db2.gz RZMZOWFWIMLWSK-NXEZZACHSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)COCc1nccn1C ZINC001485159242 892910599 /nfs/dbraw/zinc/91/05/99/892910599.db2.gz GIDPKXMMCGBDRW-NXEZZACHSA-N 0 3 297.359 -1.095 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001485146204 892910644 /nfs/dbraw/zinc/91/06/44/892910644.db2.gz GLTNSRDQGYVDRX-HTQZYQBOSA-N 0 3 269.309 -2.098 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001485166450 892910802 /nfs/dbraw/zinc/91/08/02/892910802.db2.gz PJKPDGKDWXPVIU-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001485181516 892910923 /nfs/dbraw/zinc/91/09/23/892910923.db2.gz MPXPFWDYUCAGQL-BDAKNGLRSA-N 0 3 297.363 -1.169 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CC(N)=O ZINC001485131608 892911035 /nfs/dbraw/zinc/91/10/35/892911035.db2.gz HASFUQDRDOQWOD-SFYZADRCSA-N 0 3 258.322 -1.567 20 0 CAADHN C[C@@H](NC(=O)COCc1ccnn1C)[C@H](C)NCC(N)=O ZINC001485164309 892911171 /nfs/dbraw/zinc/91/11/71/892911171.db2.gz RZMZOWFWIMLWSK-VHSXEESVSA-N 0 3 297.359 -1.095 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1ncn(C)n1 ZINC001485145536 892911192 /nfs/dbraw/zinc/91/11/92/892911192.db2.gz HSXFPDJMZUUAAE-SFYZADRCSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)COCc1ccnn1C ZINC001485164311 892911294 /nfs/dbraw/zinc/91/12/94/892911294.db2.gz RZMZOWFWIMLWSK-ZJUUUORDSA-N 0 3 297.359 -1.095 20 0 CAADHN COCCn1cc(C(=O)N[C@H](C)[C@H](C)NCC(N)=O)nn1 ZINC001485147603 892911597 /nfs/dbraw/zinc/91/15/97/892911597.db2.gz PUAXZJDKFPGBRU-DTWKUNHWSA-N 0 3 298.347 -1.494 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001485191149 892913868 /nfs/dbraw/zinc/91/38/68/892913868.db2.gz QZFWPZJAOHVODK-DTWKUNHWSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001485224179 892914273 /nfs/dbraw/zinc/91/42/73/892914273.db2.gz HGVNJYCNNBZJRY-RQJHMYQMSA-N 0 3 285.304 -2.494 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N(C)CCn1cncn1 ZINC001485272603 892915567 /nfs/dbraw/zinc/91/55/67/892915567.db2.gz VAXKTRBYNBGYIU-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)N(C)CCn1cncn1 ZINC001485303495 892917787 /nfs/dbraw/zinc/91/77/87/892917787.db2.gz WULLKTPUGTWGSS-VHSXEESVSA-N 0 3 296.331 -1.177 20 0 CAADHN C[C@H](CNC(=O)CCNS(C)(=O)=O)N(C)CCO ZINC001485311027 892918220 /nfs/dbraw/zinc/91/82/20/892918220.db2.gz YIJUESYEQYAPSV-SECBINFHSA-N 0 3 281.378 -1.646 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)N(C)CCn1cncn1 ZINC001485303493 892918698 /nfs/dbraw/zinc/91/86/98/892918698.db2.gz WULLKTPUGTWGSS-NXEZZACHSA-N 0 3 296.331 -1.177 20 0 CAADHN Cc1nc(CC(=O)NC[C@@H](C)N(C)[C@@H](C)C(N)=O)n[nH]1 ZINC001485304299 892918764 /nfs/dbraw/zinc/91/87/64/892918764.db2.gz OYXLDNLOCFVAQA-SFYZADRCSA-N 0 3 282.348 -1.034 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001485848647 892946274 /nfs/dbraw/zinc/94/62/74/892946274.db2.gz SDOBKDPJRJQUFD-QMMMGPOBSA-N 0 3 258.322 -1.614 20 0 CAADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)CCO ZINC001485312334 892919241 /nfs/dbraw/zinc/91/92/41/892919241.db2.gz GTZIGCQOFXSFCO-VIFPVBQESA-N 0 3 268.317 -1.177 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N(C)CCOCCO ZINC001485365322 892923299 /nfs/dbraw/zinc/92/32/99/892923299.db2.gz NFUXXCWRQFAMGU-SNVBAGLBSA-N 0 3 285.348 -1.126 20 0 CAADHN COCCN(C)[C@@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001485387473 892923408 /nfs/dbraw/zinc/92/34/08/892923408.db2.gz GZQPCVHYGANLKV-VIFPVBQESA-N 0 3 298.347 -1.540 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)N(C)CCO ZINC001485361129 892923665 /nfs/dbraw/zinc/92/36/65/892923665.db2.gz ZDKOMAHPIJNANA-SECBINFHSA-N 0 3 295.405 -1.257 20 0 CAADHN C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)N(C)CCO ZINC001485362026 892924618 /nfs/dbraw/zinc/92/46/18/892924618.db2.gz OOFGQZILSLPPID-MRVPVSSYSA-N 0 3 271.317 -1.532 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)C1CN(C[C@@H](C)O)C1 ZINC001485487703 892932112 /nfs/dbraw/zinc/93/21/12/892932112.db2.gz CFPDFEHWEWHORH-BDAKNGLRSA-N 0 3 257.334 -1.060 20 0 CAADHN CCCC[C@@H](CN[C@H](C)C(N)=O)NC(=O)c1nnn(C)n1 ZINC001485467637 892932953 /nfs/dbraw/zinc/93/29/53/892932953.db2.gz FFDVTUUZRRFSEV-BDAKNGLRSA-N 0 3 297.363 -1.038 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)C1CN(CCOC)C1 ZINC001485537285 892934362 /nfs/dbraw/zinc/93/43/62/892934362.db2.gz IXWHYEFYTHSLTR-VIFPVBQESA-N 0 3 293.389 -1.382 20 0 CAADHN C[C@H](NC(=O)CN1C(=O)CNC1=O)C1CN(CCCO)C1 ZINC001485536931 892935446 /nfs/dbraw/zinc/93/54/46/892935446.db2.gz YMWXNPPUFKBZEL-VIFPVBQESA-N 0 3 298.343 -1.643 20 0 CAADHN NC(=O)CN1C[C@@H]2[C@@H](CNC(=O)CCc3nnc[nH]3)[C@@H]2C1 ZINC001485596803 892937982 /nfs/dbraw/zinc/93/79/82/892937982.db2.gz PHNOICDXTDLXRQ-OWUUHHOZSA-N 0 3 292.343 -1.483 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001485634955 892938458 /nfs/dbraw/zinc/93/84/58/892938458.db2.gz UZJBJJKHGKLWHA-VXNVDRBHSA-N 0 3 299.356 -1.158 20 0 CAADHN C[C@H](NCC(=O)NC1CC1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485642854 892938731 /nfs/dbraw/zinc/93/87/31/892938731.db2.gz FUYOIMNRUDPCCW-WPRPVWTQSA-N 0 3 298.343 -2.044 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001485648294 892938767 /nfs/dbraw/zinc/93/87/67/892938767.db2.gz YDNGVGBJFYSVEN-IONNQARKSA-N 0 3 283.288 -1.626 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001485644707 892938857 /nfs/dbraw/zinc/93/88/57/892938857.db2.gz BRCJMECTSFMONG-WPRPVWTQSA-N 0 3 297.315 -1.365 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001485631071 892938899 /nfs/dbraw/zinc/93/88/99/892938899.db2.gz PIBUAHDIHLPBIM-RKDXNWHRSA-N 0 3 297.319 -2.636 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)CCOC)CCO1 ZINC001485630819 892938952 /nfs/dbraw/zinc/93/89/52/892938952.db2.gz LWACYXHOYSDPOC-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NCC(=O)NC1CC1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485642849 892939062 /nfs/dbraw/zinc/93/90/62/892939062.db2.gz FUYOIMNRUDPCCW-SCZZXKLOSA-N 0 3 298.343 -2.044 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001485634953 892939718 /nfs/dbraw/zinc/93/97/18/892939718.db2.gz UZJBJJKHGKLWHA-CBAPKCEASA-N 0 3 299.356 -1.158 20 0 CAADHN CC(=O)N1CCO[C@@H]([C@@H](C)NCC(=O)NC(N)=O)C1 ZINC001485630515 892939812 /nfs/dbraw/zinc/93/98/12/892939812.db2.gz IDDAJRCLVFWUER-VXNVDRBHSA-N 0 3 272.305 -1.593 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001485648293 892939846 /nfs/dbraw/zinc/93/98/46/892939846.db2.gz YDNGVGBJFYSVEN-CBAPKCEASA-N 0 3 283.288 -1.626 20 0 CAADHN C[C@@H](NCC(=O)NC1CC1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001485642846 892940149 /nfs/dbraw/zinc/94/01/49/892940149.db2.gz FUYOIMNRUDPCCW-PSASIEDQSA-N 0 3 298.343 -2.044 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001485650802 892941744 /nfs/dbraw/zinc/94/17/44/892941744.db2.gz YTHZJFNXPXQEDV-VHSXEESVSA-N 0 3 296.331 -2.031 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC2(C1)CCCN(CCO)C2 ZINC001485662050 892942317 /nfs/dbraw/zinc/94/23/17/892942317.db2.gz DDEGOXGIFWGXJD-JTQLQIEISA-N 0 3 284.360 -1.040 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001485650801 892943448 /nfs/dbraw/zinc/94/34/48/892943448.db2.gz YTHZJFNXPXQEDV-UWVGGRQHSA-N 0 3 296.331 -2.031 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)NCC(=O)N1CCC1 ZINC001485869827 892945867 /nfs/dbraw/zinc/94/58/67/892945867.db2.gz DGTQUXCGFUZBOC-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@H](C)N[C@@H]1CCNC1=O ZINC001485847931 892946016 /nfs/dbraw/zinc/94/60/16/892946016.db2.gz NAXZOEHBEWMMNL-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CNC(C)=O ZINC001485842356 892946048 /nfs/dbraw/zinc/94/60/48/892946048.db2.gz LXBZZVYYPCHDIT-MRVPVSSYSA-N 0 3 258.322 -1.695 20 0 CAADHN C[C@@H](CN(C)C(=O)CS(C)(=O)=O)N[C@H]1CCNC1=O ZINC001485852892 892946193 /nfs/dbraw/zinc/94/61/93/892946193.db2.gz AMNSPUMDJVOTDJ-IUCAKERBSA-N 0 3 291.373 -1.644 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001485845491 892946424 /nfs/dbraw/zinc/94/64/24/892946424.db2.gz YDQRFUPRIMKNGG-MRVPVSSYSA-N 0 3 269.309 -2.144 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@H](C)NCC(=O)NC ZINC001485864820 892946495 /nfs/dbraw/zinc/94/64/95/892946495.db2.gz JOHYZXWZVCZAKE-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)N[C@@H]1CCNC1=O ZINC001485847933 892946559 /nfs/dbraw/zinc/94/65/59/892946559.db2.gz NAXZOEHBEWMMNL-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN CC(C)[C@@H](CCNC(=O)Cc1nnc[n-]1)[NH2+]CC(N)=O ZINC001485791752 892946606 /nfs/dbraw/zinc/94/66/06/892946606.db2.gz UUFXCPWBFKWXGC-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)NCC(=O)N1CCC1 ZINC001485869810 892947033 /nfs/dbraw/zinc/94/70/33/892947033.db2.gz DGTQUXCGFUZBOC-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001485826086 892947291 /nfs/dbraw/zinc/94/72/91/892947291.db2.gz IQZWGSZRDZJOMG-OUAUKWLOSA-N 0 3 296.371 -1.320 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cnnn1)N[C@@H]1CCN(C)C1=O ZINC001485844982 892947307 /nfs/dbraw/zinc/94/73/07/892947307.db2.gz PVBJPTFFJCNLEA-NXEZZACHSA-N 0 3 295.347 -1.660 20 0 CAADHN Cc1nc(CN[C@@H](C)CN(C)C(=O)CC(N)=O)n[nH]1 ZINC001485858920 892947573 /nfs/dbraw/zinc/94/75/73/892947573.db2.gz SVUJGFOOPJNWTQ-ZETCQYMHSA-N 0 3 268.321 -1.075 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)NCC(=O)N1CCC1 ZINC001485865054 892947371 /nfs/dbraw/zinc/94/73/71/892947371.db2.gz CTMRCJFZFDJRGX-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)NCC(=O)N1CCC1 ZINC001485844212 892947510 /nfs/dbraw/zinc/94/75/10/892947510.db2.gz WUBSISNIZCJJQM-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN COCC(=O)N(C)[C@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001485796493 892947627 /nfs/dbraw/zinc/94/76/27/892947627.db2.gz LAXZCHKPKSBBNN-SECBINFHSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@H](CN(C)C(=O)CS(C)(=O)=O)N[C@H]1CCNC1=O ZINC001485852885 892948334 /nfs/dbraw/zinc/94/83/34/892948334.db2.gz AMNSPUMDJVOTDJ-BDAKNGLRSA-N 0 3 291.373 -1.644 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@@H](C)NCC(=O)NC ZINC001485864819 892948384 /nfs/dbraw/zinc/94/83/84/892948384.db2.gz JOHYZXWZVCZAKE-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1ccnn1)NCC(N)=O ZINC001485869063 892948655 /nfs/dbraw/zinc/94/86/55/892948655.db2.gz RSRQQUUOZGXFAZ-SECBINFHSA-N 0 3 268.321 -1.410 20 0 CAADHN CC[C@H](N[C@@H](C)CN(C)C(=O)CC(N)=O)C(N)=O ZINC001485858356 892948789 /nfs/dbraw/zinc/94/87/89/892948789.db2.gz NQSTYLINQHXNFF-YUMQZZPRSA-N 0 3 258.322 -1.438 20 0 CAADHN C[C@H](CN(C)C(=O)CS(C)(=O)=O)N[C@@H]1CCNC1=O ZINC001485852893 892949017 /nfs/dbraw/zinc/94/90/17/892949017.db2.gz AMNSPUMDJVOTDJ-RKDXNWHRSA-N 0 3 291.373 -1.644 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)c1nnn(C)n1 ZINC001485821635 892949042 /nfs/dbraw/zinc/94/90/42/892949042.db2.gz HVEHDZOBRZVMPT-SECBINFHSA-N 0 3 295.347 -1.604 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)NCC(=O)N1CCC1 ZINC001485869829 892949190 /nfs/dbraw/zinc/94/91/90/892949190.db2.gz DGTQUXCGFUZBOC-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001485914443 892950445 /nfs/dbraw/zinc/95/04/45/892950445.db2.gz WQJIIGBUIVEVHS-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C(N)=O ZINC001485918143 892950492 /nfs/dbraw/zinc/95/04/92/892950492.db2.gz ZDUKOBYPQFGCQX-BQBZGAKWSA-N 0 3 287.320 -2.248 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001485914446 892950867 /nfs/dbraw/zinc/95/08/67/892950867.db2.gz WQJIIGBUIVEVHS-VHSXEESVSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)N[C@@H]1CCNC1=O ZINC001485915942 892951256 /nfs/dbraw/zinc/95/12/56/892951256.db2.gz HGWNUCYJNODNGG-DTWKUNHWSA-N 0 3 293.327 -1.292 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)NCC(N)=O ZINC001485900868 892951390 /nfs/dbraw/zinc/95/13/90/892951390.db2.gz ONJUPFXGUMVWRQ-VHSXEESVSA-N 0 3 299.375 -1.301 20 0 CAADHN C[C@H](CN(C)C(=O)[C@]1(C)CCNC1=O)NCC(N)=O ZINC001485922800 892951492 /nfs/dbraw/zinc/95/14/92/892951492.db2.gz RJAHYESIZYSZSV-PRHODGIISA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CN1CCNC(=O)C1 ZINC001485908076 892951533 /nfs/dbraw/zinc/95/15/33/892951533.db2.gz KWIGUKLQOKCKGF-SNVBAGLBSA-N 0 3 299.375 -2.399 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@H](C)N[C@H]1CCNC1=O ZINC001485872572 892952326 /nfs/dbraw/zinc/95/23/26/892952326.db2.gz VFNXGRBPBHZZJG-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]1)NCC(N)=O ZINC001485921102 892952469 /nfs/dbraw/zinc/95/24/69/892952469.db2.gz YTTDWJFJOACICA-ZETCQYMHSA-N 0 3 269.305 -1.339 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@@H](C)N[C@@H]1CCNC1=O ZINC001485872569 892952698 /nfs/dbraw/zinc/95/26/98/892952698.db2.gz VFNXGRBPBHZZJG-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1n[nH]nc1C ZINC001485908163 892952899 /nfs/dbraw/zinc/95/28/99/892952899.db2.gz MJHXJENRECGTMF-SSDOTTSWSA-N 0 3 268.321 -1.091 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)C(N)=O ZINC001485918144 892953018 /nfs/dbraw/zinc/95/30/18/892953018.db2.gz ZDUKOBYPQFGCQX-NKWVEPMBSA-N 0 3 287.320 -2.248 20 0 CAADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)N[C@@H]1CCNC1=O ZINC001485915944 892953090 /nfs/dbraw/zinc/95/30/90/892953090.db2.gz HGWNUCYJNODNGG-RKDXNWHRSA-N 0 3 293.327 -1.292 20 0 CAADHN C[C@@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)NCC(N)=O ZINC001485956382 892954173 /nfs/dbraw/zinc/95/41/73/892954173.db2.gz WCMVIVYKNDQJJQ-ZETCQYMHSA-N 0 3 281.316 -1.351 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001485960097 892954476 /nfs/dbraw/zinc/95/44/76/892954476.db2.gz YXUPUFLSGVTIDV-SSDOTTSWSA-N 0 3 280.350 -2.543 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cncn1)NCC(=O)NC1CC1 ZINC001485952426 892954511 /nfs/dbraw/zinc/95/45/11/892954511.db2.gz AZHNHZOHRNQETP-SNVBAGLBSA-N 0 3 294.359 -1.007 20 0 CAADHN CC[C@H](N[C@@H](C)CN(C)C(=O)Cn1cncn1)C(N)=O ZINC001485952538 892955025 /nfs/dbraw/zinc/95/50/25/892955025.db2.gz CXSCGLBWAXLFSE-UWVGGRQHSA-N 0 3 282.348 -1.022 20 0 CAADHN CC[C@@H](N[C@H](C)CN(C)C(=O)Cn1cncn1)C(N)=O ZINC001485952537 892955491 /nfs/dbraw/zinc/95/54/91/892955491.db2.gz CXSCGLBWAXLFSE-NXEZZACHSA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)c1nc[nH]n1 ZINC001485934195 892955873 /nfs/dbraw/zinc/95/58/73/892955873.db2.gz KMUSMYUQYQCCMW-SSDOTTSWSA-N 0 3 297.319 -1.690 20 0 CAADHN CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1nc[n-]n1 ZINC001485934195 892955876 /nfs/dbraw/zinc/95/58/76/892955876.db2.gz KMUSMYUQYQCCMW-SSDOTTSWSA-N 0 3 297.319 -1.690 20 0 CAADHN CS(=O)(=O)CCCN[C@@H](CO)CNC(=O)C1CC1 ZINC001485967552 892956149 /nfs/dbraw/zinc/95/61/49/892956149.db2.gz SEXXKCHFSZOWRX-SNVBAGLBSA-N 0 3 278.374 -1.102 20 0 CAADHN C[C@H](CN(C)C(=O)CCN1CCOCC1)NCC(N)=O ZINC001485933311 892956881 /nfs/dbraw/zinc/95/68/81/892956881.db2.gz AYAABMPRVHVBOF-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001485960098 892957292 /nfs/dbraw/zinc/95/72/92/892957292.db2.gz YXUPUFLSGVTIDV-ZETCQYMHSA-N 0 3 280.350 -2.543 20 0 CAADHN CS(=O)(=O)CCCN[C@H](CO)CNC(=O)C1CC1 ZINC001485967551 892957310 /nfs/dbraw/zinc/95/73/10/892957310.db2.gz SEXXKCHFSZOWRX-JTQLQIEISA-N 0 3 278.374 -1.102 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)C1=COCCO1 ZINC001485971512 892958816 /nfs/dbraw/zinc/95/88/16/892958816.db2.gz WIZZKMIACFACRB-SNVBAGLBSA-N 0 3 274.317 -1.022 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)C1=COCCO1 ZINC001485971511 892959940 /nfs/dbraw/zinc/95/99/40/892959940.db2.gz WIZZKMIACFACRB-JTQLQIEISA-N 0 3 274.317 -1.022 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001485977837 892963423 /nfs/dbraw/zinc/96/34/23/892963423.db2.gz WIDIGRITQBJPPJ-ZJUUUORDSA-N 0 3 262.306 -1.885 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@@H]1COCCO1 ZINC001485977834 892963760 /nfs/dbraw/zinc/96/37/60/892963760.db2.gz WIDIGRITQBJPPJ-UWVGGRQHSA-N 0 3 262.306 -1.885 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@@H]1COCCO1 ZINC001485976534 892965608 /nfs/dbraw/zinc/96/56/08/892965608.db2.gz LWNMBPMTXRWHBX-QWRGUYRKSA-N 0 3 299.331 -2.240 20 0 CAADHN CCNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCCN1C ZINC001485982988 892967803 /nfs/dbraw/zinc/96/78/03/892967803.db2.gz QTARMNGEJBSBLQ-MNOVXSKESA-N 0 3 286.376 -1.717 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001485979682 892969412 /nfs/dbraw/zinc/96/94/12/892969412.db2.gz MVAZCWKRJIBZMG-RKDXNWHRSA-N 0 3 259.306 -2.022 20 0 CAADHN CCNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCCN1C ZINC001485982989 892969507 /nfs/dbraw/zinc/96/95/07/892969507.db2.gz QTARMNGEJBSBLQ-QWRGUYRKSA-N 0 3 286.376 -1.717 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001485980934 892970200 /nfs/dbraw/zinc/97/02/00/892970200.db2.gz UUSTUYORRMOLAJ-SNVBAGLBSA-N 0 3 294.315 -1.045 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001486001579 892980663 /nfs/dbraw/zinc/98/06/63/892980663.db2.gz JISYBLJNFVLMNG-SNVBAGLBSA-N 0 3 286.376 -1.717 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1ncc(OC)cn1 ZINC001486015380 892983587 /nfs/dbraw/zinc/98/35/87/892983587.db2.gz UWOVEULYQZKJTR-VIFPVBQESA-N 0 3 284.316 -1.188 20 0 CAADHN NC(=O)C(=O)NC[C@H](CO)NC[C@H](O)C1CCCCC1 ZINC001486029676 892990338 /nfs/dbraw/zinc/99/03/38/892990338.db2.gz BLDUSKPGZRDNPW-MNOVXSKESA-N 0 3 287.360 -1.520 20 0 CAADHN NC(=O)C(=O)NC[C@H](CO)NC[C@@H](O)C1CCCCC1 ZINC001486029675 892991841 /nfs/dbraw/zinc/99/18/41/892991841.db2.gz BLDUSKPGZRDNPW-GHMZBOCLSA-N 0 3 287.360 -1.520 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1n[nH]cc1F ZINC001486032040 892994745 /nfs/dbraw/zinc/99/47/45/892994745.db2.gz MLBCAHVFTMSKNA-QMMMGPOBSA-N 0 3 297.294 -1.479 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)C(N)=O ZINC001486297655 893043630 /nfs/dbraw/zinc/04/36/30/893043630.db2.gz GPWSPJMUFKXQER-RQJHMYQMSA-N 0 3 260.294 -2.985 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1cnon1 ZINC001486045363 892997124 /nfs/dbraw/zinc/99/71/24/892997124.db2.gz ZQSDHTLOUVVBSM-MRVPVSSYSA-N 0 3 281.276 -1.958 20 0 CAADHN Cn1cncc1CN[C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001486043227 892998147 /nfs/dbraw/zinc/99/81/47/892998147.db2.gz JEBHEXOHEPNIPZ-MRVPVSSYSA-N 0 3 279.304 -1.581 20 0 CAADHN Cc1cc(CN[C@H](CO)CNC(=O)c2ncn[nH]2)ncn1 ZINC001486044754 892998513 /nfs/dbraw/zinc/99/85/13/892998513.db2.gz SLMPYPURNCPQLD-JTQLQIEISA-N 0 3 291.315 -1.216 20 0 CAADHN Cc1cc(CN[C@H](CO)CNC(=O)c2nc[nH]n2)ncn1 ZINC001486044754 892998517 /nfs/dbraw/zinc/99/85/17/892998517.db2.gz SLMPYPURNCPQLD-JTQLQIEISA-N 0 3 291.315 -1.216 20 0 CAADHN Cn1cncc1CN[C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001486043229 892998586 /nfs/dbraw/zinc/99/85/86/892998586.db2.gz JEBHEXOHEPNIPZ-QMMMGPOBSA-N 0 3 279.304 -1.581 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1cnon1 ZINC001486045364 892998615 /nfs/dbraw/zinc/99/86/15/892998615.db2.gz ZQSDHTLOUVVBSM-QMMMGPOBSA-N 0 3 281.276 -1.958 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cccn(C)c1=O ZINC001486053317 893003217 /nfs/dbraw/zinc/00/32/17/893003217.db2.gz YPPKWKOCPHBLFT-JTQLQIEISA-N 0 3 283.328 -1.288 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cnn(C)c1OC ZINC001486057031 893004851 /nfs/dbraw/zinc/00/48/51/893004851.db2.gz WIPUCDPOVSZMAY-SECBINFHSA-N 0 3 286.332 -1.245 20 0 CAADHN Cc1cc(NC(=O)C(=O)NC[C@H](CO)NCCO)no1 ZINC001486062730 893006284 /nfs/dbraw/zinc/00/62/84/893006284.db2.gz YSGJPSPKFNPVDS-MRVPVSSYSA-N 0 3 286.288 -2.019 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NCc1cnnn1C ZINC001486064885 893006749 /nfs/dbraw/zinc/00/67/49/893006749.db2.gz ASRVUXXEZCXSIW-LLVKDONJSA-N 0 3 298.391 -1.278 20 0 CAADHN COCCN[C@H](CO)CNC(=O)CNC(=O)C(C)(C)C ZINC001486060901 893009780 /nfs/dbraw/zinc/00/97/80/893009780.db2.gz CZQSQZJZMSNDAX-JTQLQIEISA-N 0 3 289.376 -1.138 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NCc1cnnn1C ZINC001486064889 893011167 /nfs/dbraw/zinc/01/11/67/893011167.db2.gz ASRVUXXEZCXSIW-NSHDSACASA-N 0 3 298.391 -1.278 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)CN1CCCC1 ZINC001486060910 893011234 /nfs/dbraw/zinc/01/12/34/893011234.db2.gz DDSNCDLJJHBBAB-SNVBAGLBSA-N 0 3 272.349 -2.105 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@@H](NCCF)[C@@H]1C ZINC001486087465 893012396 /nfs/dbraw/zinc/01/23/96/893012396.db2.gz KPFPGYCCCCLOOI-DTWKUNHWSA-N 0 3 296.368 -1.411 20 0 CAADHN COCCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C[C@H]1C ZINC001486098244 893012483 /nfs/dbraw/zinc/01/24/83/893012483.db2.gz MZUOVCAFACRKMQ-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001486077469 893013249 /nfs/dbraw/zinc/01/32/49/893013249.db2.gz CNJLQCLQDPGSLE-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@@H](CO)NCCOC)n1 ZINC001486068345 893014056 /nfs/dbraw/zinc/01/40/56/893014056.db2.gz UDZSWONEVLQTSG-JTQLQIEISA-N 0 3 285.348 -1.067 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)NCC2CCC2)CCN1C(=O)C(N)=O ZINC001486085010 893013664 /nfs/dbraw/zinc/01/36/64/893013664.db2.gz OEQSSZFHKFCJRL-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN COCCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C[C@H]1C ZINC001486098248 893013708 /nfs/dbraw/zinc/01/37/08/893013708.db2.gz MZUOVCAFACRKMQ-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001486085917 893013923 /nfs/dbraw/zinc/01/39/23/893013923.db2.gz SYBBZVFTVJMDKI-HTQZYQBOSA-N 0 3 256.306 -1.813 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@H](NCCF)[C@H]1C ZINC001486087464 893014127 /nfs/dbraw/zinc/01/41/27/893014127.db2.gz KPFPGYCCCCLOOI-BDAKNGLRSA-N 0 3 296.368 -1.411 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CNC(=O)NC)C1 ZINC001486113903 893014286 /nfs/dbraw/zinc/01/42/86/893014286.db2.gz JFOYNTOSKWTPSE-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CN(C)C(=O)C1CC1 ZINC001486113867 893014636 /nfs/dbraw/zinc/01/46/36/893014636.db2.gz ITVSJEGBUVFYSC-KOLCDFICSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001486083039 893015044 /nfs/dbraw/zinc/01/50/44/893015044.db2.gz AGUVGQRESFTCTH-ZJUUUORDSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC001486105997 893015115 /nfs/dbraw/zinc/01/51/15/893015115.db2.gz SXPKMXPBXYBELY-YUMQZZPRSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC001486075879 893015612 /nfs/dbraw/zinc/01/56/12/893015612.db2.gz RICOZWCWKVPEBR-SFYZADRCSA-N 0 3 256.306 -1.813 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001486085919 893015644 /nfs/dbraw/zinc/01/56/44/893015644.db2.gz SYBBZVFTVJMDKI-SFYZADRCSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)[C@H]1C ZINC001486080211 893015886 /nfs/dbraw/zinc/01/58/86/893015886.db2.gz UBELHYFVWUQXBP-WCBMZHEXSA-N 0 3 294.359 -1.019 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCCN(CCO)[C@H]1C ZINC001486175552 893016918 /nfs/dbraw/zinc/01/69/18/893016918.db2.gz DTSFIGCJHAOCNN-UWVGGRQHSA-N 0 3 272.349 -1.123 20 0 CAADHN NC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001486214347 893016977 /nfs/dbraw/zinc/01/69/77/893016977.db2.gz CVYMHJXVTOGHIA-RKDXNWHRSA-N 0 3 280.332 -1.293 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CN(C)C(=O)C1CC1 ZINC001486255613 893017057 /nfs/dbraw/zinc/01/70/57/893017057.db2.gz OTIVUSOKXVKEJF-VIFPVBQESA-N 0 3 286.332 -1.739 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001486223636 893017096 /nfs/dbraw/zinc/01/70/96/893017096.db2.gz HNALFVQMMSPXIP-WCBMZHEXSA-N 0 3 284.360 -1.177 20 0 CAADHN CCC(=O)N(C)C[C@@H](O)CNCCS(C)(=O)=O ZINC001486256011 893017538 /nfs/dbraw/zinc/01/75/38/893017538.db2.gz XESIRBCVHVHRLV-VIFPVBQESA-N 0 3 266.363 -1.150 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001486257450 893017758 /nfs/dbraw/zinc/01/77/58/893017758.db2.gz QVPSRLKTCWFBLO-JTQLQIEISA-N 0 3 295.343 -1.413 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC001486228954 893017980 /nfs/dbraw/zinc/01/79/80/893017980.db2.gz QTLBURDEFITWCW-SECBINFHSA-N 0 3 284.360 -1.223 20 0 CAADHN COC[C@@H](OC)C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001486243462 893018085 /nfs/dbraw/zinc/01/80/85/893018085.db2.gz ROLQKCVATZGJCC-NXEZZACHSA-N 0 3 287.360 -1.040 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)C1CC1)C(=O)NC(N)=O ZINC001486255062 893018358 /nfs/dbraw/zinc/01/83/58/893018358.db2.gz CCEHEJOKLGYZHP-IONNQARKSA-N 0 3 286.332 -1.611 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)C(F)F)C(=O)NC(N)=O ZINC001486255136 893019248 /nfs/dbraw/zinc/01/92/48/893019248.db2.gz DVODZXXASQUTRA-NTSWFWBYSA-N 0 3 296.274 -1.756 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)CC1CC1 ZINC001486257332 893019353 /nfs/dbraw/zinc/01/93/53/893019353.db2.gz JWWZGOAXKCCPGK-SECBINFHSA-N 0 3 286.332 -1.610 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cccnc1 ZINC001486256407 893019822 /nfs/dbraw/zinc/01/98/22/893019822.db2.gz BFKJEBOCLSGSFZ-NSHDSACASA-N 0 3 280.328 -1.150 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)C1CC1)C(=O)NC(N)=O ZINC001486255063 893020713 /nfs/dbraw/zinc/02/07/13/893020713.db2.gz CCEHEJOKLGYZHP-VXNVDRBHSA-N 0 3 286.332 -1.611 20 0 CAADHN CCC(=O)N(C)C[C@@H](O)CNCC(=O)NC(=O)NC ZINC001486256001 893021092 /nfs/dbraw/zinc/02/10/92/893021092.db2.gz XBGABZRHOGRSHB-QMMMGPOBSA-N 0 3 274.321 -1.739 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)Cc1ccon1)C(N)=O ZINC001486265338 893022837 /nfs/dbraw/zinc/02/28/37/893022837.db2.gz BWMCQGZDORSARW-MNOVXSKESA-N 0 3 298.343 -1.110 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001486266136 893022984 /nfs/dbraw/zinc/02/29/84/893022984.db2.gz RXWPYDLFZOOVNK-SECBINFHSA-N 0 3 288.348 -2.333 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccon1 ZINC001486267242 893023153 /nfs/dbraw/zinc/02/31/53/893023153.db2.gz QNFFPHIAGKCRDV-ZETCQYMHSA-N 0 3 256.262 -1.818 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ccon1 ZINC001486264311 893023787 /nfs/dbraw/zinc/02/37/87/893023787.db2.gz CXLLQJBNYAMXRJ-RKDXNWHRSA-N 0 3 284.316 -1.168 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ccon1 ZINC001486264310 893024279 /nfs/dbraw/zinc/02/42/79/893024279.db2.gz CXLLQJBNYAMXRJ-IUCAKERBSA-N 0 3 284.316 -1.168 20 0 CAADHN Cc1cccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001486261957 893024420 /nfs/dbraw/zinc/02/44/20/893024420.db2.gz PHPNLLXKHCPCJJ-SNVBAGLBSA-N 0 3 280.328 -1.102 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cccn1C)C(N)=O ZINC001486261968 893024860 /nfs/dbraw/zinc/02/48/60/893024860.db2.gz POAKLQKRYBTSKB-NXEZZACHSA-N 0 3 282.344 -1.079 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccon1 ZINC001486264178 893025262 /nfs/dbraw/zinc/02/52/62/893025262.db2.gz BQOKSMBUUPZASO-BDAKNGLRSA-N 0 3 282.300 -1.414 20 0 CAADHN Cc1nc([C@@H](C)NC[C@@H](O)CN(C)C(=O)CC(N)=O)n[nH]1 ZINC001486265925 893025862 /nfs/dbraw/zinc/02/58/62/893025862.db2.gz FHODFNAIISYBQV-VXNVDRBHSA-N 0 3 298.347 -1.542 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)Cc1ccon1)C(N)=O ZINC001486265340 893026028 /nfs/dbraw/zinc/02/60/28/893026028.db2.gz BWMCQGZDORSARW-WDEREUQCSA-N 0 3 298.343 -1.110 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001486262711 893026228 /nfs/dbraw/zinc/02/62/28/893026228.db2.gz FJYLWFXKWSRZCL-SNVBAGLBSA-N 0 3 297.359 -1.469 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cnsn1 ZINC001486266281 893026273 /nfs/dbraw/zinc/02/62/73/893026273.db2.gz ONJCASSAAVELGC-ZCFIWIBFSA-N 0 3 273.318 -1.954 20 0 CAADHN COC[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001486266432 893026654 /nfs/dbraw/zinc/02/66/54/893026654.db2.gz UMXJTLOLNHJFAR-IUCAKERBSA-N 0 3 261.322 -1.837 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)[nH]n1 ZINC001486268066 893026822 /nfs/dbraw/zinc/02/68/22/893026822.db2.gz UVTGMBJXNRFKQA-SECBINFHSA-N 0 3 283.332 -1.520 20 0 CAADHN CC(C)OCC(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001486263180 893027104 /nfs/dbraw/zinc/02/71/04/893027104.db2.gz MXSOGTGNUGZSKJ-GHMZBOCLSA-N 0 3 287.360 -1.291 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001486265161 893027468 /nfs/dbraw/zinc/02/74/68/893027468.db2.gz JWYNIYHXVOYCOO-MRVPVSSYSA-N 0 3 269.305 -1.822 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ncc[nH]1)C(=O)N(C)C ZINC001486274656 893028426 /nfs/dbraw/zinc/02/84/26/893028426.db2.gz PWSXMTJGUKZGQR-NXEZZACHSA-N 0 3 297.359 -1.091 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](OC)C1CC1 ZINC001486274136 893028471 /nfs/dbraw/zinc/02/84/71/893028471.db2.gz GOLOIOCYMZHJLW-CMPLNLGQSA-N 0 3 287.360 -1.434 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001486275830 893028595 /nfs/dbraw/zinc/02/85/95/893028595.db2.gz WQBIXQALNVKHDT-IUCAKERBSA-N 0 3 298.347 -2.028 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn(C)nc1C ZINC001486268975 893028788 /nfs/dbraw/zinc/02/87/88/893028788.db2.gz VBSCBAZTGIXYIU-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn(C)nc1C ZINC001486268974 893029059 /nfs/dbraw/zinc/02/90/59/893029059.db2.gz VBSCBAZTGIXYIU-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001486275476 893029146 /nfs/dbraw/zinc/02/91/46/893029146.db2.gz PYCGXKIPWMQLEC-YUMQZZPRSA-N 0 3 284.320 -2.289 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001486268123 893029444 /nfs/dbraw/zinc/02/94/44/893029444.db2.gz VEODBUOLZJQHDO-LLVKDONJSA-N 0 3 297.359 -1.090 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cnnn1C ZINC001486275448 893029645 /nfs/dbraw/zinc/02/96/45/893029645.db2.gz PRVQGNBQLVKLIV-SSDOTTSWSA-N 0 3 270.293 -2.677 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)CC(C)(C)O ZINC001486275745 893029706 /nfs/dbraw/zinc/02/97/06/893029706.db2.gz UZVIZSNVSQJKOH-UWVGGRQHSA-N 0 3 287.360 -1.555 20 0 CAADHN CN(C[C@H](O)CNCc1cncs1)C(=O)CC(N)=O ZINC001486268996 893029966 /nfs/dbraw/zinc/02/99/66/893029966.db2.gz VJVPFISORUSTOE-MRVPVSSYSA-N 0 3 286.357 -1.073 20 0 CAADHN CCn1ccnc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001486274830 893030189 /nfs/dbraw/zinc/03/01/89/893030189.db2.gz LYGRKNAKWYUMLW-NXEZZACHSA-N 0 3 297.359 -1.201 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cnnn1C ZINC001486275450 893030564 /nfs/dbraw/zinc/03/05/64/893030564.db2.gz PRVQGNBQLVKLIV-ZETCQYMHSA-N 0 3 270.293 -2.677 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CC1(O)CCC1 ZINC001486276738 893031181 /nfs/dbraw/zinc/03/11/81/893031181.db2.gz OYMACFVRLUQJJJ-SECBINFHSA-N 0 3 273.333 -1.814 20 0 CAADHN CCO[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001486268493 893031256 /nfs/dbraw/zinc/03/12/56/893031256.db2.gz XBFVIDVDHZGNPX-MNOVXSKESA-N 0 3 289.376 -1.092 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](O)C[NH2+]CCO)[n-]1 ZINC001486276285 893031759 /nfs/dbraw/zinc/03/17/59/893031759.db2.gz GQSFVPQPAPIJID-VIFPVBQESA-N 0 3 271.321 -1.943 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ccon1)C(N)=O ZINC001486268155 893032400 /nfs/dbraw/zinc/03/24/00/893032400.db2.gz VLLXKBQDARTZEM-JGVFFNPUSA-N 0 3 270.289 -1.429 20 0 CAADHN COc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)on1 ZINC001486272357 893032803 /nfs/dbraw/zinc/03/28/03/893032803.db2.gz WPDFURHOUMVCEU-ZETCQYMHSA-N 0 3 286.288 -1.809 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cnnn1C)C(N)=O ZINC001486273693 893032843 /nfs/dbraw/zinc/03/28/43/893032843.db2.gz BJRJSDUYIYEMDM-DTWKUNHWSA-N 0 3 298.347 -1.899 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](O)C(C)C ZINC001486274799 893032958 /nfs/dbraw/zinc/03/29/58/893032958.db2.gz LMVADBXATQWHPY-MWLCHTKSSA-N 0 3 275.349 -1.842 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001486275473 893033502 /nfs/dbraw/zinc/03/35/02/893033502.db2.gz PYCGXKIPWMQLEC-HTQZYQBOSA-N 0 3 284.320 -2.289 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001486274356 893033020 /nfs/dbraw/zinc/03/30/20/893033020.db2.gz MPEBEESFQHKPOU-SECBINFHSA-N 0 3 298.347 -2.026 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001486272592 893033216 /nfs/dbraw/zinc/03/32/16/893033216.db2.gz ZWHPNSMGQJZAQN-JTQLQIEISA-N 0 3 297.359 -1.469 20 0 CAADHN CCn1ccnc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001486274831 893033345 /nfs/dbraw/zinc/03/33/45/893033345.db2.gz LYGRKNAKWYUMLW-UWVGGRQHSA-N 0 3 297.359 -1.201 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001486271195 893033467 /nfs/dbraw/zinc/03/34/67/893033467.db2.gz MHWORGPOTFOLBP-RKDXNWHRSA-N 0 3 288.348 -2.205 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](O)CNCCF)C1 ZINC001486274765 893033727 /nfs/dbraw/zinc/03/37/27/893033727.db2.gz KXRDMSUSTSNKNX-NSHDSACASA-N 0 3 275.324 -1.157 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cnnn1C)C(N)=O ZINC001486273692 893033767 /nfs/dbraw/zinc/03/37/67/893033767.db2.gz BJRJSDUYIYEMDM-BDAKNGLRSA-N 0 3 298.347 -1.899 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cn(C)ccc1=O ZINC001486286734 893034033 /nfs/dbraw/zinc/03/40/33/893034033.db2.gz QPZJBRHRLUVZSS-SECBINFHSA-N 0 3 296.327 -2.107 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001486278256 893034400 /nfs/dbraw/zinc/03/44/00/893034400.db2.gz HIKNRGNAGUUSBA-HTQZYQBOSA-N 0 3 289.336 -2.802 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)C(=O)NCC(F)F ZINC001486283849 893034720 /nfs/dbraw/zinc/03/47/20/893034720.db2.gz DDEQMERXGGTLDD-ZETCQYMHSA-N 0 3 285.266 -1.254 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cc[nH]c1 ZINC001486278730 893034880 /nfs/dbraw/zinc/03/48/80/893034880.db2.gz CGHFFOWXVNGIDI-GHMZBOCLSA-N 0 3 280.328 -1.074 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccns1 ZINC001486277800 893035469 /nfs/dbraw/zinc/03/54/69/893035469.db2.gz BGWNRDLPCFXSSJ-MRVPVSSYSA-N 0 3 286.357 -1.088 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccns1 ZINC001486277799 893036334 /nfs/dbraw/zinc/03/63/34/893036334.db2.gz BFOVMSIJHUKLGT-ZETCQYMHSA-N 0 3 272.330 -1.349 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cc[nH]c1 ZINC001486278733 893036647 /nfs/dbraw/zinc/03/66/47/893036647.db2.gz CGHFFOWXVNGIDI-WDEREUQCSA-N 0 3 280.328 -1.074 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)C(=O)NCC(F)F ZINC001486283848 893036755 /nfs/dbraw/zinc/03/67/55/893036755.db2.gz DDEQMERXGGTLDD-SSDOTTSWSA-N 0 3 285.266 -1.254 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001486283444 893037096 /nfs/dbraw/zinc/03/70/96/893037096.db2.gz XMGIPDQMLBGSIR-MRVPVSSYSA-N 0 3 299.331 -1.808 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001486278259 893037138 /nfs/dbraw/zinc/03/71/38/893037138.db2.gz HIKNRGNAGUUSBA-SFYZADRCSA-N 0 3 289.336 -2.802 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)S(C)(=O)=O ZINC001486284922 893037672 /nfs/dbraw/zinc/03/76/72/893037672.db2.gz MDPGPPHYQHCONM-JGVFFNPUSA-N 0 3 295.361 -2.686 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C1(C)CC1 ZINC001486277894 893037791 /nfs/dbraw/zinc/03/77/91/893037791.db2.gz JQGXTYVLJKNHJD-SECBINFHSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccn(C)c(=O)c1 ZINC001486286059 893038054 /nfs/dbraw/zinc/03/80/54/893038054.db2.gz SGXSPDVPNDFZRV-SNVBAGLBSA-N 0 3 296.327 -2.107 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccn(C)c(=O)c1 ZINC001486286057 893038282 /nfs/dbraw/zinc/03/82/82/893038282.db2.gz SGXSPDVPNDFZRV-JTQLQIEISA-N 0 3 296.327 -2.107 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C1(C)CC1 ZINC001486277896 893038314 /nfs/dbraw/zinc/03/83/14/893038314.db2.gz JQGXTYVLJKNHJD-VIFPVBQESA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1csc(=O)[nH]1 ZINC001486295607 893038559 /nfs/dbraw/zinc/03/85/59/893038559.db2.gz JOSOGBNYKXASRT-LURJTMIESA-N 0 3 288.329 -1.644 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cc1cnoc1)C(N)=O ZINC001486296407 893039348 /nfs/dbraw/zinc/03/93/48/893039348.db2.gz PYCQTKLQSUAQJL-WPRPVWTQSA-N 0 3 284.316 -1.500 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001486291560 893039678 /nfs/dbraw/zinc/03/96/78/893039678.db2.gz HBZXEQUUGYSWAX-RKDXNWHRSA-N 0 3 286.332 -2.723 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cc(F)c[nH]1 ZINC001486288880 893040648 /nfs/dbraw/zinc/04/06/48/893040648.db2.gz CCROOKSDDDTACA-MRVPVSSYSA-N 0 3 272.280 -1.338 20 0 CAADHN Cc1cncc(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)c1 ZINC001486290928 893040751 /nfs/dbraw/zinc/04/07/51/893040751.db2.gz HCOYHXVYLFGNPF-LBPRGKRZSA-N 0 3 294.355 -1.173 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001486297414 893041116 /nfs/dbraw/zinc/04/11/16/893041116.db2.gz WBFJETPATFVWMA-LVEVGFFFSA-N 0 3 299.371 -1.578 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1csc(=O)[nH]1 ZINC001486295613 893041157 /nfs/dbraw/zinc/04/11/57/893041157.db2.gz JOSOGBNYKXASRT-ZCFIWIBFSA-N 0 3 288.329 -1.644 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001486300904 893041443 /nfs/dbraw/zinc/04/14/43/893041443.db2.gz IADAVWCGAGUZMM-NXEZZACHSA-N 0 3 288.348 -2.205 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ccnnc1)C(N)=O ZINC001486301637 893041609 /nfs/dbraw/zinc/04/16/09/893041609.db2.gz PRPMBLDQHIWNPQ-SCZZXKLOSA-N 0 3 281.316 -1.627 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)C(N)=O)C(=O)N(C)C ZINC001486298514 893041769 /nfs/dbraw/zinc/04/17/69/893041769.db2.gz QGVIMFGBWVHWDA-SFYZADRCSA-N 0 3 274.321 -2.643 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)C(N)=O)C(=O)N(C)C ZINC001486298513 893043125 /nfs/dbraw/zinc/04/31/25/893043125.db2.gz QGVIMFGBWVHWDA-JGVFFNPUSA-N 0 3 274.321 -2.643 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCNC1=O ZINC001486291555 893042482 /nfs/dbraw/zinc/04/24/82/893042482.db2.gz HBZXEQUUGYSWAX-BDAKNGLRSA-N 0 3 286.332 -2.723 20 0 CAADHN CC[C@H](C)NC(=O)CNC[C@H](O)CN(C)C(=O)C(N)=O ZINC001486298616 893042950 /nfs/dbraw/zinc/04/29/50/893042950.db2.gz SRMNUYFJOUDLRG-IUCAKERBSA-N 0 3 288.348 -2.205 20 0 CAADHN Cc1cc(CNC[C@@H](O)CN(C)C(=O)C(N)=O)sn1 ZINC001486298736 893043434 /nfs/dbraw/zinc/04/34/34/893043434.db2.gz WLWWOSOAFQKPCW-MRVPVSSYSA-N 0 3 286.357 -1.154 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cc1cnoc1)C(N)=O ZINC001486296405 893043593 /nfs/dbraw/zinc/04/35/93/893043593.db2.gz PYCQTKLQSUAQJL-WCBMZHEXSA-N 0 3 284.316 -1.500 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCn1cnnn1 ZINC001486306935 893043935 /nfs/dbraw/zinc/04/39/35/893043935.db2.gz JTAUVCNOELZFLU-QMMMGPOBSA-N 0 3 285.308 -3.043 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001486305368 893044450 /nfs/dbraw/zinc/04/44/50/893044450.db2.gz DKSPMHKFUPGASN-SECBINFHSA-N 0 3 299.331 -1.383 20 0 CAADHN CN(C[C@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)c1nc[n-]n1 ZINC001486306042 893045009 /nfs/dbraw/zinc/04/50/09/893045009.db2.gz RHWYJIAZEGRWRP-BDAKNGLRSA-N 0 3 296.331 -1.942 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001486308987 893046027 /nfs/dbraw/zinc/04/60/27/893046027.db2.gz CTZYZXWQHMCFBG-YIZRAAEISA-N 0 3 261.297 -1.514 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)Cc1ncc[nH]1)C(N)=O ZINC001486307226 893046836 /nfs/dbraw/zinc/04/68/36/893046836.db2.gz OLNCTVZBIKIGGE-VHSXEESVSA-N 0 3 297.359 -1.375 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001486305429 893047215 /nfs/dbraw/zinc/04/72/15/893047215.db2.gz FYTPAVCXYQPPRD-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)nn1 ZINC001486308449 893048689 /nfs/dbraw/zinc/04/86/89/893048689.db2.gz NMUXMYKXRNPVEV-RKDXNWHRSA-N 0 3 298.347 -1.806 20 0 CAADHN CN(C[C@H](O)C[NH2+]CC(=O)N1CCC1)C(=O)c1nc[n-]n1 ZINC001486305846 893048731 /nfs/dbraw/zinc/04/87/31/893048731.db2.gz OBZCJPYGVNLFNF-SECBINFHSA-N 0 3 296.331 -1.941 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)c1nc[nH]n1 ZINC001486305846 893048748 /nfs/dbraw/zinc/04/87/48/893048748.db2.gz OBZCJPYGVNLFNF-SECBINFHSA-N 0 3 296.331 -1.941 20 0 CAADHN Cc1cnn(CCC(=O)N(C)C[C@@H](O)CNCC(N)=O)c1 ZINC001486318996 893049984 /nfs/dbraw/zinc/04/99/84/893049984.db2.gz WJEZZPDHEIUHPK-NSHDSACASA-N 0 3 297.359 -1.524 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001486318964 893050326 /nfs/dbraw/zinc/05/03/26/893050326.db2.gz FNGIPPDTUSQCKE-JGVFFNPUSA-N 0 3 285.304 -1.726 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001486318949 893050752 /nfs/dbraw/zinc/05/07/52/893050752.db2.gz FNGIPPDTUSQCKE-HTQZYQBOSA-N 0 3 285.304 -1.726 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001486324005 893053713 /nfs/dbraw/zinc/05/37/13/893053713.db2.gz GLYMGQBCCYKIBI-ONGXEEELSA-N 0 3 275.349 -1.746 20 0 CAADHN CN(CC(N)=O)C[C@@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001486346584 893058477 /nfs/dbraw/zinc/05/84/77/893058477.db2.gz GXUKUXUBKALZOE-MRVPVSSYSA-N 0 3 299.331 -2.024 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001486332686 893063932 /nfs/dbraw/zinc/06/39/32/893063932.db2.gz WKTHNTSGFRLIGA-QWRGUYRKSA-N 0 3 287.360 -1.744 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)C(N)=O)C(C)(C)C ZINC001486412473 893064423 /nfs/dbraw/zinc/06/44/23/893064423.db2.gz YAQBNBLTUVSYID-SSDOTTSWSA-N 0 3 258.322 -1.662 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)C1(C(N)=O)CC1 ZINC001486411518 893065244 /nfs/dbraw/zinc/06/52/44/893065244.db2.gz SKCLVCKSHOHCHL-QMMMGPOBSA-N 0 3 284.360 -1.142 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)CC(N)=O)C(C)(C)C)C(N)=O ZINC001486390678 893065712 /nfs/dbraw/zinc/06/57/12/893065712.db2.gz LOVRZYFFNHVFBU-JGVFFNPUSA-N 0 3 272.349 -1.144 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001486354068 893068130 /nfs/dbraw/zinc/06/81/30/893068130.db2.gz PAUMDASCIVFUDQ-LLVKDONJSA-N 0 3 289.376 -1.356 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)CC(N)=O)C(C)(C)C)C(N)=O ZINC001486390679 893068327 /nfs/dbraw/zinc/06/83/27/893068327.db2.gz LOVRZYFFNHVFBU-SFYZADRCSA-N 0 3 272.349 -1.144 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)C(N)=O)C(C)(C)C ZINC001486412474 893069025 /nfs/dbraw/zinc/06/90/25/893069025.db2.gz YAQBNBLTUVSYID-ZETCQYMHSA-N 0 3 258.322 -1.662 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001486354904 893070569 /nfs/dbraw/zinc/07/05/69/893070569.db2.gz CPSRNRXALUPXQV-GFCCVEGCSA-N 0 3 297.355 -1.408 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)Cn1cncn1 ZINC001486424972 893070764 /nfs/dbraw/zinc/07/07/64/893070764.db2.gz YTLAZYNAPWNGLK-SECBINFHSA-N 0 3 282.348 -1.116 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)c1ccn(C)n1 ZINC001486499683 893073876 /nfs/dbraw/zinc/07/38/76/893073876.db2.gz YSFBOAVAWIIMNW-UHFFFAOYSA-N 0 3 297.359 -1.156 20 0 CAADHN CN(CCOCCNCc1cnn(C)c1)C(=O)C(N)=O ZINC001486496994 893075522 /nfs/dbraw/zinc/07/55/22/893075522.db2.gz AJYSDGJUFWNVTM-UHFFFAOYSA-N 0 3 283.332 -1.530 20 0 CAADHN C[C@H]1CO[C@H](C(=O)N(C)CCOCCNCC(N)=O)C1 ZINC001486495051 893076188 /nfs/dbraw/zinc/07/61/88/893076188.db2.gz HZEVAXADFNHJGZ-MNOVXSKESA-N 0 3 287.360 -1.039 20 0 CAADHN CCCN(C)CC(=O)N[C@H](C)[C@H](C)NC(=O)C(N)=O ZINC001486727029 893077077 /nfs/dbraw/zinc/07/70/77/893077077.db2.gz HGQKBOQQRUUTHQ-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@H](C(=O)N(C)[C@@H](C)CNC(=O)C(N)=O)N(C)C ZINC001486977468 893081705 /nfs/dbraw/zinc/08/17/05/893081705.db2.gz DQKHOBKMSFLGCN-DTWKUNHWSA-N 0 3 272.349 -1.225 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)C(N)=O)N(C)C ZINC001488047766 893134327 /nfs/dbraw/zinc/13/43/27/893134327.db2.gz DYGOBZXRNKYFCT-YUMQZZPRSA-N 0 3 274.321 -2.595 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NC(=O)C(N)=O)N(C)C ZINC001488028471 893132941 /nfs/dbraw/zinc/13/29/41/893132941.db2.gz DYGOBZXRNKYFCT-JGVFFNPUSA-N 0 3 274.321 -2.595 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@@H](CO)NC(=O)C(N)=O)C1 ZINC001488097395 893144230 /nfs/dbraw/zinc/14/42/30/893144230.db2.gz DYBMGDIAHTYMPH-IUCAKERBSA-N 0 3 286.332 -2.593 20 0 CAADHN CCN(CC)CC(=O)N(C)C[C@H](O)CNC(=O)C(N)=O ZINC001488362302 893154645 /nfs/dbraw/zinc/15/46/45/893154645.db2.gz OLCQKZQVNOELOW-SECBINFHSA-N 0 3 288.348 -2.251 20 0 CAADHN CCN(CC)CC(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O ZINC001488362303 893155364 /nfs/dbraw/zinc/15/53/64/893155364.db2.gz OLCQKZQVNOELOW-VIFPVBQESA-N 0 3 288.348 -2.251 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](O)CN(C)C(=O)C(N)=O ZINC001488398147 893157139 /nfs/dbraw/zinc/15/71/39/893157139.db2.gz CDOGXPPSGZAAIF-VIFPVBQESA-N 0 3 288.348 -2.251 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)N(C)C ZINC001488525736 893162075 /nfs/dbraw/zinc/16/20/75/893162075.db2.gz KQGTXQCJZJTFCR-IWSPIJDZSA-N 0 3 270.333 -1.615 20 0 CAADHN CC[C@H](C(=O)NC1CC(N(C)C(=O)C(N)=O)C1)N(C)C ZINC001488593448 893163730 /nfs/dbraw/zinc/16/37/30/893163730.db2.gz CSWNWTLBJNWBLV-UDNWOFFPSA-N 0 3 284.360 -1.083 20 0 CAADHN CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)Cc1nnc[n-]1 ZINC001488680850 893164889 /nfs/dbraw/zinc/16/48/89/893164889.db2.gz WWDUJEHVBHKWRY-VIFPVBQESA-N 0 3 253.306 -1.128 20 0 CAADHN CN(C[C@@H]1CC[N@H+]1CCO)C(=O)Cc1nnc[n-]1 ZINC001488680850 893164898 /nfs/dbraw/zinc/16/48/98/893164898.db2.gz WWDUJEHVBHKWRY-VIFPVBQESA-N 0 3 253.306 -1.128 20 0 CAADHN CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O ZINC001489044450 893171711 /nfs/dbraw/zinc/17/17/11/893171711.db2.gz VOCBIOCHPSCFHJ-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN O=C([C@H]1CCNC1=O)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001489162589 893171251 /nfs/dbraw/zinc/17/12/51/893171251.db2.gz FUXICXCATMFVFP-NEPJUHHUSA-N 0 3 299.371 -1.600 20 0 CAADHN CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001488871966 893171686 /nfs/dbraw/zinc/17/16/86/893171686.db2.gz FQDVATXGGAFSKS-GUBZILKMSA-N 0 3 294.359 -1.034 20 0 CAADHN O=C([C@H]1CCNC1=O)N1CCC[C@H](N(CCO)CCO)C1 ZINC001489162595 893172728 /nfs/dbraw/zinc/17/27/28/893172728.db2.gz FUXICXCATMFVFP-RYUDHWBXSA-N 0 3 299.371 -1.600 20 0 CAADHN O=C([C@@H]1CCNC1=O)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001489162597 893172767 /nfs/dbraw/zinc/17/27/67/893172767.db2.gz FUXICXCATMFVFP-VXGBXAGGSA-N 0 3 299.371 -1.600 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1O ZINC001489282690 893174213 /nfs/dbraw/zinc/17/42/13/893174213.db2.gz ZLPOOZPNSLFABN-GHMZBOCLSA-N 0 3 287.360 -1.339 20 0 CAADHN CO[C@@H](C)CN(CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001489171239 893174448 /nfs/dbraw/zinc/17/44/48/893174448.db2.gz YMDADJLRVYSGAQ-QWRGUYRKSA-N 0 3 287.360 -1.208 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CCn2ncn(C)c2=O)CCN1CCO ZINC001489284311 893174825 /nfs/dbraw/zinc/17/48/25/893174825.db2.gz WQUMSGFXPGPDFY-MNOVXSKESA-N 0 3 297.359 -1.457 20 0 CAADHN CN(CCOCCN(C)C(=O)C(N)=O)CCn1cncn1 ZINC001489218802 893175880 /nfs/dbraw/zinc/17/58/80/893175880.db2.gz JWZSUEXRTZJUSJ-UHFFFAOYSA-N 0 3 298.347 -1.830 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CCNS(C)(=O)=O)CCN1CCO ZINC001489266985 893176200 /nfs/dbraw/zinc/17/62/00/893176200.db2.gz ATAHNLUFSONXKN-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN NC(=O)CN(CCO)C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001489351552 893179909 /nfs/dbraw/zinc/17/99/09/893179909.db2.gz SFFPAHFDPJAGKN-UHFFFAOYSA-N 0 3 295.343 -1.206 20 0 CAADHN CN(C)C1(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2O)CCC1 ZINC001489589265 893184234 /nfs/dbraw/zinc/18/42/34/893184234.db2.gz AFAFDAFAIURMGE-BDAKNGLRSA-N 0 3 298.343 -2.356 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@@H]2CN(C)C(=O)C(N)=O)C1 ZINC001489779105 893186830 /nfs/dbraw/zinc/18/68/30/893186830.db2.gz YPZWMCXKJJQJMQ-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@H]2CN(C)C(=O)C(N)=O)C1 ZINC001489779109 893187162 /nfs/dbraw/zinc/18/71/62/893187162.db2.gz YPZWMCXKJJQJMQ-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)C(N)=O)N(C)C ZINC001489777966 893187264 /nfs/dbraw/zinc/18/72/64/893187264.db2.gz QCVRUKRCSMHWFE-ZJUUUORDSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)C(N)=O)N(C)C ZINC001489763714 893188064 /nfs/dbraw/zinc/18/80/64/893188064.db2.gz HVDMTPVPUPKNEL-VHSXEESVSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)C(N)=O)N(C)C ZINC001489763715 893188717 /nfs/dbraw/zinc/18/87/17/893188717.db2.gz HVDMTPVPUPKNEL-ZJUUUORDSA-N 0 3 284.360 -1.129 20 0 CAADHN CN(CCCNC(=O)CC(N)=O)[C@@H]1CCCNC1=O ZINC001490169838 893192390 /nfs/dbraw/zinc/19/23/90/893192390.db2.gz RHOOLLADEMXNDT-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCCN(C)[C@@H]1CCCNC1=O ZINC001490181946 893192601 /nfs/dbraw/zinc/19/26/01/893192601.db2.gz SWOFMVFSSJFPBC-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)C(N)=O ZINC001490309278 893194119 /nfs/dbraw/zinc/19/41/19/893194119.db2.gz YMIVGMCAJBYUBE-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CN(CCCNC(=O)[C@H]1CCNC1=O)[C@H]1CCCNC1=O ZINC001490233879 893194890 /nfs/dbraw/zinc/19/48/90/893194890.db2.gz RGETWBRGAWNQTE-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCCNC(=O)[C@@H]1CCNC1=O)[C@H]1CCCNC1=O ZINC001490233880 893196149 /nfs/dbraw/zinc/19/61/49/893196149.db2.gz RGETWBRGAWNQTE-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001490291676 893197451 /nfs/dbraw/zinc/19/74/51/893197451.db2.gz PNKSAKSHZATDBE-BDAKNGLRSA-N 0 3 270.333 -1.294 20 0 CAADHN COCCN1CCN(CCCNC(=O)C(N)=O)CC1 ZINC001490475370 893198779 /nfs/dbraw/zinc/19/87/79/893198779.db2.gz UDCBUAYVHLYKOR-UHFFFAOYSA-N 0 3 272.349 -1.758 20 0 CAADHN CCN(CCCNC(=O)CC(N)=O)[C@H]1CCNC1=O ZINC001490318845 893198860 /nfs/dbraw/zinc/19/88/60/893198860.db2.gz QUAYTYVCITZHDG-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CCN(CCCNC(=O)[C@H]1CN(C)CCO1)CC(N)=O ZINC001490319450 893199220 /nfs/dbraw/zinc/19/92/20/893199220.db2.gz ZKBPKRUQGXSSKH-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C(N)=O ZINC001490309279 893199413 /nfs/dbraw/zinc/19/94/13/893199413.db2.gz YMIVGMCAJBYUBE-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CCCNC(=O)[C@H]1COC(=O)N1)[C@H]1CCNC1=O ZINC001490323086 893199578 /nfs/dbraw/zinc/19/95/78/893199578.db2.gz HEUUMDOGIYGQOV-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN CCN(CCCNC(=O)Cc1nc[nH]n1)CC(=O)NC ZINC001490354265 893202170 /nfs/dbraw/zinc/20/21/70/893202170.db2.gz FAKZMWSCKKBIMH-UHFFFAOYSA-N 0 3 282.348 -1.079 20 0 CAADHN O=C(NCCCN1CCN(CCO)CC1)C1=COCCO1 ZINC001490463510 893202689 /nfs/dbraw/zinc/20/26/89/893202689.db2.gz SZTVBWSORKRZIB-UHFFFAOYSA-N 0 3 299.371 -1.009 20 0 CAADHN NC(=O)CN(CCCNC(=O)c1nnc[nH]1)C1CC1 ZINC001490389349 893203612 /nfs/dbraw/zinc/20/36/12/893203612.db2.gz FAZAYCCXYCFHEN-UHFFFAOYSA-N 0 3 266.305 -1.126 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCCN(C[C@@H](C)O)C1 ZINC001490440139 893203709 /nfs/dbraw/zinc/20/37/09/893203709.db2.gz ALLAAOGBCOLSJJ-ZJUUUORDSA-N 0 3 272.349 -1.123 20 0 CAADHN CCN(CCCNC(=O)[C@@H]1COC(=O)N1)[C@@H]1CCNC1=O ZINC001490323084 893203811 /nfs/dbraw/zinc/20/38/11/893203811.db2.gz HEUUMDOGIYGQOV-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN CCN(CCCNC(=O)C(N)=O)[C@H]1CCC(=O)NC1=O ZINC001490342519 893204086 /nfs/dbraw/zinc/20/40/86/893204086.db2.gz FNQDLIBTEIPAAH-QMMMGPOBSA-N 0 3 284.316 -1.895 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001490530112 893207927 /nfs/dbraw/zinc/20/79/27/893207927.db2.gz KVNRXXHTYSTEMH-NXEZZACHSA-N 0 3 292.343 -1.169 20 0 CAADHN O=C(NCCN1CCN(CC2CC2)CC1)[C@@H]1CNC(=O)N1 ZINC001490500329 893209825 /nfs/dbraw/zinc/20/98/25/893209825.db2.gz DMBIAJOUUGQDTP-LBPRGKRZSA-N 0 3 295.387 -1.188 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](NCC(=O)N1CCC1)C1CC1 ZINC001490630797 893211515 /nfs/dbraw/zinc/21/15/15/893211515.db2.gz RXKWRRCZHNGBLS-GFCCVEGCSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C1=COCCO1)C1CC1 ZINC001490632702 893211551 /nfs/dbraw/zinc/21/15/51/893211551.db2.gz UNMOQHYXRIIFPQ-SECBINFHSA-N 0 3 269.301 -1.156 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001490659619 893212600 /nfs/dbraw/zinc/21/26/00/893212600.db2.gz NBEWRNUQYPOLRO-YUMQZZPRSA-N 0 3 270.289 -1.936 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001490643149 893213365 /nfs/dbraw/zinc/21/33/65/893213365.db2.gz SPYWZDTYRGSARL-NEPJUHHUSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)c1cnnn1C)C1CC1)C(N)=O ZINC001490657707 893213395 /nfs/dbraw/zinc/21/33/95/893213395.db2.gz CRXYZYYWJXDWIK-APPZFPTMSA-N 0 3 280.332 -1.213 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001490648393 893214646 /nfs/dbraw/zinc/21/46/46/893214646.db2.gz JUPDNLMXMKCWTM-DTWKUNHWSA-N 0 3 268.317 -1.765 20 0 CAADHN NC(=O)CC(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001490648390 893214852 /nfs/dbraw/zinc/21/48/52/893214852.db2.gz JUPDNLMXMKCWTM-BDAKNGLRSA-N 0 3 268.317 -1.765 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)c1cnnn1C)C1CC1)C(N)=O ZINC001490657708 893215064 /nfs/dbraw/zinc/21/50/64/893215064.db2.gz CRXYZYYWJXDWIK-CBAPKCEASA-N 0 3 280.332 -1.213 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](N[C@@H](C)C(N)=O)C1CC1 ZINC001490659802 893216024 /nfs/dbraw/zinc/21/60/24/893216024.db2.gz UNJFWNGKMHWJCB-WCBMZHEXSA-N 0 3 299.375 -1.336 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](N[C@H](C)C(N)=O)C1CC1 ZINC001490659800 893215775 /nfs/dbraw/zinc/21/57/75/893215775.db2.gz UNJFWNGKMHWJCB-PSASIEDQSA-N 0 3 299.375 -1.336 20 0 CAADHN NC(=O)C[NH2+][C@@H](CNC(=O)CCc1nnc[n-]1)C1CC1 ZINC001490663538 893215874 /nfs/dbraw/zinc/21/58/74/893215874.db2.gz CWUXFYJWBYPWHN-VIFPVBQESA-N 0 3 280.332 -1.293 20 0 CAADHN CN(C(=O)CN[C@H](CNC(=O)CC(N)=O)C1CC1)C1CC1 ZINC001490648846 893216102 /nfs/dbraw/zinc/21/61/02/893216102.db2.gz NEJAEAPCTTZNDI-LLVKDONJSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CNC(=O)NC)C1CC1 ZINC001490670705 893217507 /nfs/dbraw/zinc/21/75/07/893217507.db2.gz FVOKJSKLJMEEPK-VIFPVBQESA-N 0 3 285.348 -1.854 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)Cn1ccnc1)C1CC1 ZINC001490743403 893217700 /nfs/dbraw/zinc/21/77/00/893217700.db2.gz ARDAVSVQYCYELW-SNVBAGLBSA-N 0 3 265.317 -1.147 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001490741925 893217806 /nfs/dbraw/zinc/21/78/06/893217806.db2.gz XVMXRSNMMHYCAR-QMMMGPOBSA-N 0 3 292.361 -2.495 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)C1=O ZINC001490700647 893218477 /nfs/dbraw/zinc/21/84/77/893218477.db2.gz PZKMCTKQFWABOL-VHSXEESVSA-N 0 3 282.344 -1.566 20 0 CAADHN NC(=O)C(=O)NC[C@H](N[C@H]1CCC(=O)NC1=O)C1CC1 ZINC001490699862 893218772 /nfs/dbraw/zinc/21/87/72/893218772.db2.gz HRWKWCWAAJTCOK-YUMQZZPRSA-N 0 3 282.300 -2.239 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)C1=O ZINC001490700644 893218856 /nfs/dbraw/zinc/21/88/56/893218856.db2.gz PZKMCTKQFWABOL-UWVGGRQHSA-N 0 3 282.344 -1.566 20 0 CAADHN Cn1nnnc1CN[C@H](CNC(=O)c1ncn[nH]1)C1CC1 ZINC001490720482 893218940 /nfs/dbraw/zinc/21/89/40/893218940.db2.gz QCVPCCTZBRIXTQ-MRVPVSSYSA-N 0 3 291.319 -1.374 20 0 CAADHN Cn1nnnc1CN[C@H](CNC(=O)c1nc[nH]n1)C1CC1 ZINC001490720482 893218956 /nfs/dbraw/zinc/21/89/56/893218956.db2.gz QCVPCCTZBRIXTQ-MRVPVSSYSA-N 0 3 291.319 -1.374 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001490698577 893219084 /nfs/dbraw/zinc/21/90/84/893219084.db2.gz HYTJGOPPCSTQLV-UWVGGRQHSA-N 0 3 297.359 -1.760 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001490700084 893219287 /nfs/dbraw/zinc/21/92/87/893219287.db2.gz INGOYVAJDZIMLD-VIFPVBQESA-N 0 3 282.344 -1.518 20 0 CAADHN NC(=O)C(=O)NC[C@@H](NCC(=O)NCC1CCC1)C1CC1 ZINC001490702113 893219607 /nfs/dbraw/zinc/21/96/07/893219607.db2.gz YBEQLBRDVPQPQF-LLVKDONJSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001490693544 893219649 /nfs/dbraw/zinc/21/96/49/893219649.db2.gz KGXFBIRVUFFXKF-IONNQARKSA-N 0 3 270.333 -1.532 20 0 CAADHN CCN(CC)C(=O)CN[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001490700772 893219693 /nfs/dbraw/zinc/21/96/93/893219693.db2.gz NKXSSYSOWUJAKG-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN NC(=O)NCCC(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001490736369 893219847 /nfs/dbraw/zinc/21/98/47/893219847.db2.gz UZZXTWLUZQQMQA-VHSXEESVSA-N 0 3 297.359 -1.582 20 0 CAADHN NC(=O)C(=O)NC[C@H](NCC(=O)NCC1CCC1)C1CC1 ZINC001490702116 893219955 /nfs/dbraw/zinc/21/99/55/893219955.db2.gz YBEQLBRDVPQPQF-NSHDSACASA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)NCCC(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001490736368 893220937 /nfs/dbraw/zinc/22/09/37/893220937.db2.gz UZZXTWLUZQQMQA-UWVGGRQHSA-N 0 3 297.359 -1.582 20 0 CAADHN NC(=O)C(=O)NC[C@H](NCC(=O)NCC1CC1)C1CC1 ZINC001490699105 893220987 /nfs/dbraw/zinc/22/09/87/893220987.db2.gz CDBOJIZOQPSFHM-JTQLQIEISA-N 0 3 282.344 -1.518 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001490698581 893221056 /nfs/dbraw/zinc/22/10/56/893221056.db2.gz HYTJGOPPCSTQLV-ZJUUUORDSA-N 0 3 297.359 -1.760 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CNC(=O)NC)C1CC1 ZINC001490670704 893221236 /nfs/dbraw/zinc/22/12/36/893221236.db2.gz FVOKJSKLJMEEPK-SECBINFHSA-N 0 3 285.348 -1.854 20 0 CAADHN O=C(c1cnc[n-]c1=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001490828849 893221862 /nfs/dbraw/zinc/22/18/62/893221862.db2.gz XCWISWVINXECCW-JTQLQIEISA-N 0 3 296.327 -1.005 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CC(=O)NCC)C1 ZINC001490818700 893224709 /nfs/dbraw/zinc/22/47/09/893224709.db2.gz RDSYGSPJHHJPRX-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001490818902 893225107 /nfs/dbraw/zinc/22/51/07/893225107.db2.gz XXEDMSYDYJYMJQ-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001490859243 893225646 /nfs/dbraw/zinc/22/56/46/893225646.db2.gz IGRGTLOCSLPKNC-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN COCC(=O)N[C@H]1C[C@@H](NCCS(C)(=O)=O)C1 ZINC001490982642 893228561 /nfs/dbraw/zinc/22/85/61/893228561.db2.gz KGOIMCXBSYXPBI-DTORHVGOSA-N 0 3 264.347 -1.086 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@H]1C[C@H](NCC(N)=O)C1 ZINC001490957440 893228595 /nfs/dbraw/zinc/22/85/95/893228595.db2.gz QVCYVHATKDYRNB-KYZUINATSA-N 0 3 291.373 -1.467 20 0 CAADHN C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2nnc[n-]2)C1)C(N)=O ZINC001491009637 893229921 /nfs/dbraw/zinc/22/99/21/893229921.db2.gz HXGXTEJYUABSBS-HLTSFMKQSA-N 0 3 280.332 -1.152 20 0 CAADHN O=C(CCc1nnc[n-]1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001491009232 893230494 /nfs/dbraw/zinc/23/04/94/893230494.db2.gz COPUFBUMHVMXRY-KXUCPTDWSA-N 0 3 292.343 -1.137 20 0 CAADHN CN1CCC[C@@H](N2CCC[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001491121559 893241204 /nfs/dbraw/zinc/24/12/04/893241204.db2.gz ZDJNIBLTNVPPBZ-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)CC(=O)NC[C@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC001491101450 893241335 /nfs/dbraw/zinc/24/13/35/893241335.db2.gz MQKWVPVNDNCKMP-MNOVXSKESA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNC(=O)[C@@H]2COCCO2)C1 ZINC001491129541 893244370 /nfs/dbraw/zinc/24/43/70/893244370.db2.gz ZVJNGNVTXBXJRJ-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)CC(N)=O ZINC001491193969 893251008 /nfs/dbraw/zinc/25/10/08/893251008.db2.gz JCEBQDGDQPADIO-UHFFFAOYSA-N 0 3 267.289 -1.632 20 0 CAADHN Cn1cnn(CC(=O)NC[C@@H]2CCCCN2CCO)c1=O ZINC001491215483 893251156 /nfs/dbraw/zinc/25/11/56/893251156.db2.gz XWTPBNLMQJDUOJ-NSHDSACASA-N 0 3 297.359 -1.455 20 0 CAADHN CCN1CCCC[C@H]1C(=O)NCCNC(=O)CC(N)=O ZINC001491194812 893251394 /nfs/dbraw/zinc/25/13/94/893251394.db2.gz ZGAOPRKIOVSDLO-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001491244168 893254973 /nfs/dbraw/zinc/25/49/73/893254973.db2.gz DZCVRFSYDORGEZ-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(C)NC(=O)CNC[C@H]1CCCCN1C(=O)C(N)=O ZINC001491260901 893256008 /nfs/dbraw/zinc/25/60/08/893256008.db2.gz BVJKPXMSYCKZCX-SNVBAGLBSA-N 0 3 284.360 -1.033 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCNC1=O ZINC001491259532 893255854 /nfs/dbraw/zinc/25/58/54/893255854.db2.gz WJRJHPOOSSQBGZ-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN CC(C)NC(=O)CNC[C@@H]1CCCCN1C(=O)C(N)=O ZINC001491260900 893256210 /nfs/dbraw/zinc/25/62/10/893256210.db2.gz BVJKPXMSYCKZCX-JTQLQIEISA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CCNC1=O ZINC001491258372 893257164 /nfs/dbraw/zinc/25/71/64/893257164.db2.gz AJOFHMBICTXVGO-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN Cc1nnc(CC(=O)NCCNC(=O)CN2CCCC2)[nH]1 ZINC001491284610 893259758 /nfs/dbraw/zinc/25/97/58/893259758.db2.gz YEGVEKVWSPPKFV-UHFFFAOYSA-N 0 3 294.359 -1.016 20 0 CAADHN COCC(=O)NC[C@H](C)NCC(=O)N1CCOCC1 ZINC001491372669 893262699 /nfs/dbraw/zinc/26/26/99/893262699.db2.gz VWSSFJDFVJKSFC-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1=O)NCC(=O)NC1CC1 ZINC001491391591 893267151 /nfs/dbraw/zinc/26/71/51/893267151.db2.gz XXQRKHYMKLYUQY-JTQLQIEISA-N 0 3 296.371 -1.018 20 0 CAADHN CCOCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC(=O)NC ZINC001491388198 893267902 /nfs/dbraw/zinc/26/79/02/893267902.db2.gz MUCBYVXWMIPMKS-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](CNC(=O)C1CCOCC1)NCC(=O)NC(N)=O ZINC001491377267 893267935 /nfs/dbraw/zinc/26/79/35/893267935.db2.gz MDLUHDWKGXLLTQ-QMMMGPOBSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@H](C)C(=O)N(C)C ZINC001491379398 893268110 /nfs/dbraw/zinc/26/81/10/893268110.db2.gz PLIOCQXCRFVNRL-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@@H](CNC(=O)C1=COCCO1)NCC(=O)NC(N)=O ZINC001491386031 893268178 /nfs/dbraw/zinc/26/81/78/893268178.db2.gz DVAJSXGBDBFLEJ-ZETCQYMHSA-N 0 3 286.288 -1.836 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@H](C)C(=O)N(C)C ZINC001491379400 893269060 /nfs/dbraw/zinc/26/90/60/893269060.db2.gz PLIOCQXCRFVNRL-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@@H](CNC(=O)c1ccon1)NCC(=O)NC(N)=O ZINC001491400242 893269243 /nfs/dbraw/zinc/26/92/43/893269243.db2.gz CBQHJGJJQVWUOH-LURJTMIESA-N 0 3 269.261 -1.423 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCCNC1=O ZINC001491400150 893269566 /nfs/dbraw/zinc/26/95/66/893269566.db2.gz BNTWTANFOGXTOV-IUCAKERBSA-N 0 3 286.332 -1.285 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001491398962 893269607 /nfs/dbraw/zinc/26/96/07/893269607.db2.gz PENGIQDTEVPEOC-SCZZXKLOSA-N 0 3 270.333 -1.553 20 0 CAADHN Cc1c(C(=O)NC[C@@H](C)NCC(N)=O)cnn1C ZINC001491392333 893269762 /nfs/dbraw/zinc/26/97/62/893269762.db2.gz JGOVWFGHWIIXSH-SSDOTTSWSA-N 0 3 253.306 -1.078 20 0 CAADHN CCOCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC(N)=O ZINC001491388575 893270066 /nfs/dbraw/zinc/27/00/66/893270066.db2.gz ORIVTBKURIKUQE-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)CC(N)=O)n[nH]1 ZINC001491419152 893271066 /nfs/dbraw/zinc/27/10/66/893271066.db2.gz OPDUMQORVIJTTC-LURJTMIESA-N 0 3 254.294 -1.417 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001491415875 893271210 /nfs/dbraw/zinc/27/12/10/893271210.db2.gz VBUAHDPILDBNEV-DTWKUNHWSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](CNC(=O)C(=O)C(C)(C)C)NCC(=O)NC(N)=O ZINC001491414886 893271270 /nfs/dbraw/zinc/27/12/70/893271270.db2.gz YBGQPQDYUOLJNM-ZETCQYMHSA-N 0 3 286.332 -1.109 20 0 CAADHN CNC(=O)CCCC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001491436494 893271485 /nfs/dbraw/zinc/27/14/85/893271485.db2.gz ABNVGJHMURXOFO-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN CNC(=O)CCCC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001491436492 893272310 /nfs/dbraw/zinc/27/23/10/893272310.db2.gz ABNVGJHMURXOFO-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@H](C)NCC(N)=O ZINC001491414478 893272445 /nfs/dbraw/zinc/27/24/45/893272445.db2.gz UVPWUWCTJTZMBR-ZETCQYMHSA-N 0 3 253.306 -1.078 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCC(=O)NC1=O ZINC001491413610 893272644 /nfs/dbraw/zinc/27/26/44/893272644.db2.gz FLVZWRDSTYUTIQ-IUCAKERBSA-N 0 3 298.343 -1.588 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)CC(N)=O)n[nH]1 ZINC001491419156 893272753 /nfs/dbraw/zinc/27/27/53/893272753.db2.gz OPDUMQORVIJTTC-ZCFIWIBFSA-N 0 3 254.294 -1.417 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)C1 ZINC001491440394 893272996 /nfs/dbraw/zinc/27/29/96/893272996.db2.gz CRUUTJGCZJKICF-SSDOTTSWSA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@H](CNC(=O)c1cncnc1)N[C@H]1CCC(=O)NC1=O ZINC001491437153 893273311 /nfs/dbraw/zinc/27/33/11/893273311.db2.gz HSCROKWVIKBGKY-SCZZXKLOSA-N 0 3 291.311 -1.010 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001491413611 893273684 /nfs/dbraw/zinc/27/36/84/893273684.db2.gz FLVZWRDSTYUTIQ-RKDXNWHRSA-N 0 3 298.343 -1.588 20 0 CAADHN CN(CCCO)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001492227972 893333161 /nfs/dbraw/zinc/33/31/61/893333161.db2.gz VMIFHZDHLUROKB-SNVBAGLBSA-N 0 3 257.334 -1.057 20 0 CAADHN C[C@H](CNC(=O)c1cocn1)NCCNS(C)(=O)=O ZINC001491413620 893274823 /nfs/dbraw/zinc/27/48/23/893274823.db2.gz FVJNDSIGWLGGNR-MRVPVSSYSA-N 0 3 290.345 -1.068 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CNC(=O)CC ZINC001491412772 893274848 /nfs/dbraw/zinc/27/48/48/893274848.db2.gz AHDGTPIMTAYZIV-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)N[C@@H]1CCNC1=O ZINC001491450071 893275701 /nfs/dbraw/zinc/27/57/01/893275701.db2.gz XEVXCJVNHJTJOA-JGVFFNPUSA-N 0 3 266.305 -1.589 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)N1CCC1 ZINC001491444715 893275781 /nfs/dbraw/zinc/27/57/81/893275781.db2.gz XFSSGDAQYALMLR-DTWKUNHWSA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)N[C@H]1CCNC1=O ZINC001491450073 893275806 /nfs/dbraw/zinc/27/58/06/893275806.db2.gz XEVXCJVNHJTJOA-YUMQZZPRSA-N 0 3 266.305 -1.589 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](C)N[C@H](C)C(N)=O)C1 ZINC001491442562 893276365 /nfs/dbraw/zinc/27/63/65/893276365.db2.gz SUUDQQFCCQZHSZ-HTQZYQBOSA-N 0 3 270.333 -1.567 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001491446552 893276461 /nfs/dbraw/zinc/27/64/61/893276461.db2.gz FTOHOYUOSLYATB-BDAKNGLRSA-N 0 3 280.332 -1.106 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)NCC(=O)N(C)C ZINC001491449324 893276577 /nfs/dbraw/zinc/27/65/77/893276577.db2.gz TYOINCFGHOHQRG-MRVPVSSYSA-N 0 3 268.321 -1.389 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)NCC(=O)N(C)C ZINC001491449328 893277408 /nfs/dbraw/zinc/27/74/08/893277408.db2.gz TYOINCFGHOHQRG-QMMMGPOBSA-N 0 3 268.321 -1.389 20 0 CAADHN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)NCC(N)=O ZINC001491470161 893277514 /nfs/dbraw/zinc/27/75/14/893277514.db2.gz PVEAPLXGGOMGEH-SSDOTTSWSA-N 0 3 280.350 -2.543 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CNC(=O)N1CCCC1)C(N)=O ZINC001491453631 893277971 /nfs/dbraw/zinc/27/79/71/893277971.db2.gz BZSKGTSBBKIKTD-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)NCC(=O)N(C)C ZINC001491455846 893278386 /nfs/dbraw/zinc/27/83/86/893278386.db2.gz UZWXFJZHIPJOGP-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](CNC(=O)c1cccn2nnnc12)N[C@@H](C)C(N)=O ZINC001491468400 893278508 /nfs/dbraw/zinc/27/85/08/893278508.db2.gz GBNPPJKHCBXQBB-SFYZADRCSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)N[C@H]1CCNC1=O ZINC001491450072 893278949 /nfs/dbraw/zinc/27/89/49/893278949.db2.gz XEVXCJVNHJTJOA-SFYZADRCSA-N 0 3 266.305 -1.589 20 0 CAADHN CCCN(C)CC(=O)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001491493054 893280084 /nfs/dbraw/zinc/28/00/84/893280084.db2.gz FMCKCYIHCOJPNC-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCNC1=O ZINC001491490790 893280297 /nfs/dbraw/zinc/28/02/97/893280297.db2.gz LIJKXMMSOJHEKY-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNC(=O)Cc1cncs1)NCC(=O)NC(N)=O ZINC001491491383 893280404 /nfs/dbraw/zinc/28/04/04/893280404.db2.gz PDRCIQLJUHECCA-ZETCQYMHSA-N 0 3 299.356 -1.025 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)C(N)=O)NCC(=O)NC1CC1 ZINC001491490816 893280813 /nfs/dbraw/zinc/28/08/13/893280813.db2.gz LPAROHAWEGAYHJ-MRVPVSSYSA-N 0 3 284.360 -1.129 20 0 CAADHN CCCN(C)CC(=O)NCCNC(=O)Cn1cncn1 ZINC001491493063 893281138 /nfs/dbraw/zinc/28/11/38/893281138.db2.gz FRAJJXJGJGDFAP-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN C[C@@H](CNC(=O)c1cnc2n[nH]nc2c1)N[C@@H](C)C(N)=O ZINC001491483148 893281420 /nfs/dbraw/zinc/28/14/20/893281420.db2.gz ZTLPVHDTNCGWDK-BQBZGAKWSA-N 0 3 291.315 -1.065 20 0 CAADHN Cc1cc(OCC(=O)NC[C@@H](C)NCC(N)=O)no1 ZINC001491488915 893281918 /nfs/dbraw/zinc/28/19/18/893281918.db2.gz BUZFYNDNKNNODX-SSDOTTSWSA-N 0 3 270.289 -1.059 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001491496176 893281944 /nfs/dbraw/zinc/28/19/44/893281944.db2.gz URVDPWPZTXPJLB-ZANVPECISA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001491475653 893282144 /nfs/dbraw/zinc/28/21/44/893282144.db2.gz ZPPUUDXJWIBVGD-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(=O)NC(N)=O ZINC001491475426 893282364 /nfs/dbraw/zinc/28/23/64/893282364.db2.gz YPIYFZXLXPKOTB-JGVFFNPUSA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)C(N)=O)N[C@H]1CCC(=O)NC1=O ZINC001491490869 893282515 /nfs/dbraw/zinc/28/25/15/893282515.db2.gz MQDCNCGYSVELCQ-SFYZADRCSA-N 0 3 298.343 -1.603 20 0 CAADHN Cc1c(CC(=O)NC[C@H](C)NCC(N)=O)cnn1C ZINC001491476436 893283302 /nfs/dbraw/zinc/28/33/02/893283302.db2.gz IJPJWQLMXHGVFQ-QMMMGPOBSA-N 0 3 267.333 -1.149 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001491496167 893283657 /nfs/dbraw/zinc/28/36/57/893283657.db2.gz URVDPWPZTXPJLB-NOZJJQNGSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNC(=O)COCc1ccnn1C)N[C@H](C)C(N)=O ZINC001491497483 893283732 /nfs/dbraw/zinc/28/37/32/893283732.db2.gz TWYYJDKBLNNPNU-NXEZZACHSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N[C@@H](C)C(N)=O ZINC001491517241 893284217 /nfs/dbraw/zinc/28/42/17/893284217.db2.gz PGNMNTCXJTWKSU-YUMQZZPRSA-N 0 3 297.315 -2.083 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](C)NCC(N)=O ZINC001491528664 893284519 /nfs/dbraw/zinc/28/45/19/893284519.db2.gz NIWUYSRRRZYYPU-QMMMGPOBSA-N 0 3 253.306 -1.229 20 0 CAADHN C[C@@H](CNC(=O)c1cncn1C)N[C@@H]1CCC(=O)NC1=O ZINC001491518400 893284553 /nfs/dbraw/zinc/28/45/53/893284553.db2.gz VBQVVVSRJOICFU-DTWKUNHWSA-N 0 3 293.327 -1.067 20 0 CAADHN C[C@H](CNC(=O)CCCCNC(N)=O)N[C@H]1CCNC1=O ZINC001491515858 893285072 /nfs/dbraw/zinc/28/50/72/893285072.db2.gz PSJOIYLHAIAHKK-ZJUUUORDSA-N 0 3 299.375 -1.192 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)NCC(=O)N(C)C ZINC001491505680 893285930 /nfs/dbraw/zinc/28/59/30/893285930.db2.gz YFZKYYUDQFLATL-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N[C@H](C)C(N)=O ZINC001491517235 893286056 /nfs/dbraw/zinc/28/60/56/893286056.db2.gz PGNMNTCXJTWKSU-HTQZYQBOSA-N 0 3 297.315 -2.083 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N[C@H]1CCNC1=O ZINC001491511260 893286138 /nfs/dbraw/zinc/28/61/38/893286138.db2.gz ZSCSJBXBAVONAC-ONGXEEELSA-N 0 3 292.339 -1.018 20 0 CAADHN COc1coc(C(=O)NC[C@H](C)NCC(N)=O)cc1=O ZINC001491530378 893286890 /nfs/dbraw/zinc/28/68/90/893286890.db2.gz WDMMHSYFTUIDGD-ZETCQYMHSA-N 0 3 283.284 -1.158 20 0 CAADHN C[C@@H](CNC(=O)C[C@H]1CCCC(=O)N1)NCC(N)=O ZINC001491517977 893286983 /nfs/dbraw/zinc/28/69/83/893286983.db2.gz BNKZMMMMPSLAFB-DTWKUNHWSA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O ZINC001491517238 893287208 /nfs/dbraw/zinc/28/72/08/893287208.db2.gz PGNMNTCXJTWKSU-JGVFFNPUSA-N 0 3 297.315 -2.083 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)NCC(=O)N(C)C ZINC001491505681 893287618 /nfs/dbraw/zinc/28/76/18/893287618.db2.gz YFZKYYUDQFLATL-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001491549023 893288371 /nfs/dbraw/zinc/28/83/71/893288371.db2.gz UPLXHBPJBZFQGL-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001491545637 893288831 /nfs/dbraw/zinc/28/88/31/893288831.db2.gz DGXSHDLKEAJUOG-UWVGGRQHSA-N 0 3 299.375 -2.353 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001491550458 893288987 /nfs/dbraw/zinc/28/89/87/893288987.db2.gz XHSXSQPGQVELNY-YUMQZZPRSA-N 0 3 256.306 -2.037 20 0 CAADHN C[C@@H](CNC(=O)c1cnco1)NCCNS(C)(=O)=O ZINC001491543521 893289489 /nfs/dbraw/zinc/28/94/89/893289489.db2.gz RWQCSFRDLXKDKT-QMMMGPOBSA-N 0 3 290.345 -1.068 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001491550456 893289521 /nfs/dbraw/zinc/28/95/21/893289521.db2.gz XHSXSQPGQVELNY-SFYZADRCSA-N 0 3 256.306 -2.037 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(=O)NC1CC1 ZINC001491549072 893289728 /nfs/dbraw/zinc/28/97/28/893289728.db2.gz VPZULJRIJHGYBO-WCBMZHEXSA-N 0 3 297.359 -1.617 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001491549021 893289764 /nfs/dbraw/zinc/28/97/64/893289764.db2.gz UPLXHBPJBZFQGL-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001491556505 893290174 /nfs/dbraw/zinc/29/01/74/893290174.db2.gz XSIPRXNWSHKXLH-QMMMGPOBSA-N 0 3 283.336 -1.604 20 0 CAADHN C[C@H](CNC(=O)CCn1ccnc1)NCC(=O)NC(N)=O ZINC001491543664 893290425 /nfs/dbraw/zinc/29/04/25/893290425.db2.gz SWXAILFIEMFKFM-SECBINFHSA-N 0 3 296.331 -1.438 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NCCNC(=O)C(N)=O ZINC001491536415 893290716 /nfs/dbraw/zinc/29/07/16/893290716.db2.gz YREQMFYWIMSCDW-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)NCC(=O)N(C)C ZINC001491545835 893291416 /nfs/dbraw/zinc/29/14/16/893291416.db2.gz FGKIPZNFMNVITB-IUCAKERBSA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N[C@@H](C)C(=O)NC(N)=O ZINC001491559641 893292324 /nfs/dbraw/zinc/29/23/24/893292324.db2.gz QGXNOLTXKHAESS-KGDYZURWSA-N 0 3 298.343 -1.444 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)N[C@H](C)C(N)=O ZINC001491568716 893292581 /nfs/dbraw/zinc/29/25/81/893292581.db2.gz MGCDCLNPBPNDAJ-RNFRBKRXSA-N 0 3 269.305 -1.293 20 0 CAADHN C[C@@H](CNC(=O)C1(C(N)=O)CC1)N[C@H]1CCCNC1=O ZINC001491569024 893292671 /nfs/dbraw/zinc/29/26/71/893292671.db2.gz VUURTTNKIGSZMD-IUCAKERBSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)NCC(=O)N1CCC1 ZINC001491557237 893293473 /nfs/dbraw/zinc/29/34/73/893293473.db2.gz IRMAGSZJPYQKSX-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N[C@H]1CCNC1=O ZINC001491579852 893293502 /nfs/dbraw/zinc/29/35/02/893293502.db2.gz PFUZNLOKZPQEMJ-XVKPBYJWSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N(C)C1CC1 ZINC001491580037 893293662 /nfs/dbraw/zinc/29/36/62/893293662.db2.gz PSAGGWFHRJFEDA-GDPRMGEGSA-N 0 3 296.371 -1.177 20 0 CAADHN Cc1csc(=O)n1CCN[C@@H](C)CNC(=O)C(N)=O ZINC001491569184 893293691 /nfs/dbraw/zinc/29/36/91/893293691.db2.gz CHUBQQFITMDKLR-ZETCQYMHSA-N 0 3 286.357 -1.202 20 0 CAADHN C[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)NCC(=O)NC1CC1 ZINC001491574525 893293799 /nfs/dbraw/zinc/29/37/99/893293799.db2.gz HUZFVRBPSCLMBE-XPTSAGLGSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N(C)C ZINC001491580490 893294054 /nfs/dbraw/zinc/29/40/54/893294054.db2.gz TXKYIRSYRAMNEZ-HLTSFMKQSA-N 0 3 270.333 -1.710 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)N[C@@H](C)C(N)=O ZINC001491568718 893294369 /nfs/dbraw/zinc/29/43/69/893294369.db2.gz MGCDCLNPBPNDAJ-RQJHMYQMSA-N 0 3 269.305 -1.293 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001491558915 893294839 /nfs/dbraw/zinc/29/48/39/893294839.db2.gz NMMGLBJDNKIPCV-IUCAKERBSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)NCC(=O)N1CCC1 ZINC001491557226 893294995 /nfs/dbraw/zinc/29/49/95/893294995.db2.gz IRMAGSZJPYQKSX-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001491579619 893295114 /nfs/dbraw/zinc/29/51/14/893295114.db2.gz OJKUBLHHGFMHGA-PELKAZGASA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N[C@@H](C)C(=O)NC(N)=O ZINC001491559644 893295570 /nfs/dbraw/zinc/29/55/70/893295570.db2.gz QGXNOLTXKHAESS-RXKWGBCNSA-N 0 3 298.343 -1.444 20 0 CAADHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001491559867 893295743 /nfs/dbraw/zinc/29/57/43/893295743.db2.gz MVPRCIXFKTZHSM-ZJUUUORDSA-N 0 3 284.360 -1.035 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NC[C@H](C)NCC(=O)NC ZINC001491587750 893297347 /nfs/dbraw/zinc/29/73/47/893297347.db2.gz LYDIJUIIGDINSU-WPRPVWTQSA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1nc(C)c[nH]1 ZINC001491605037 893297960 /nfs/dbraw/zinc/29/79/60/893297960.db2.gz UZPXCWVRWYQCMD-SSDOTTSWSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@H](CNC(=O)c1cccnn1)N[C@H]1CCC(=O)NC1=O ZINC001491620099 893298132 /nfs/dbraw/zinc/29/81/32/893298132.db2.gz ZUMPFNBBGVADDH-BDAKNGLRSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@H](CNC(=O)CCc1cnn(C)n1)N[C@H](C)C(N)=O ZINC001491580974 893299128 /nfs/dbraw/zinc/29/91/28/893299128.db2.gz YITAXEKZDINARA-RKDXNWHRSA-N 0 3 282.348 -1.284 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1nc(C)c[nH]1 ZINC001491605041 893299213 /nfs/dbraw/zinc/29/92/13/893299213.db2.gz UZPXCWVRWYQCMD-ZETCQYMHSA-N 0 3 296.331 -1.118 20 0 CAADHN CCCn1cc(C(=O)NC[C@@H](C)NCC(N)=O)nn1 ZINC001491623874 893299410 /nfs/dbraw/zinc/29/94/10/893299410.db2.gz BBCITWNVIRBJLY-MRVPVSSYSA-N 0 3 268.321 -1.119 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NC[C@@H](C)NCC(=O)NC ZINC001491587747 893300085 /nfs/dbraw/zinc/30/00/85/893300085.db2.gz LYDIJUIIGDINSU-PSASIEDQSA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCn1cnnn1 ZINC001491617022 893300126 /nfs/dbraw/zinc/30/01/26/893300126.db2.gz CCNTWTNTBQBXEK-QMMMGPOBSA-N 0 3 269.309 -2.097 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+]CC(=O)N(C)C ZINC001491634669 893300660 /nfs/dbraw/zinc/30/06/60/893300660.db2.gz ICUWKXDEGZBNCK-MRVPVSSYSA-N 0 3 268.321 -1.470 20 0 CAADHN C[C@@H](CNC(=O)Cc1cncn1C)NCC(=O)NC(N)=O ZINC001491636261 893301347 /nfs/dbraw/zinc/30/13/47/893301347.db2.gz DKZPHWXAFQYYIS-QMMMGPOBSA-N 0 3 296.331 -1.748 20 0 CAADHN CC(=O)N[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)C(C)C ZINC001491645997 893302802 /nfs/dbraw/zinc/30/28/02/893302802.db2.gz NKQGOBRJGLFAQX-LDYMZIIASA-N 0 3 272.349 -1.273 20 0 CAADHN C[C@H](CNC(=O)Cc1cncn1C)N[C@@H](C)C(N)=O ZINC001491640574 893302875 /nfs/dbraw/zinc/30/28/75/893302875.db2.gz UQXWQXISLXEAEC-BDAKNGLRSA-N 0 3 267.333 -1.069 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)CCNC(N)=O)n[nH]1 ZINC001491666408 893303342 /nfs/dbraw/zinc/30/33/42/893303342.db2.gz YDKRDFWCHALXNG-SSDOTTSWSA-N 0 3 283.336 -1.234 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)NCC(=O)NC1CC1 ZINC001491665147 893303709 /nfs/dbraw/zinc/30/37/09/893303709.db2.gz PQMKVGPWHRXLQI-QMMMGPOBSA-N 0 3 285.348 -1.582 20 0 CAADHN C[C@@H](CNC(=O)Cc1cncn1C)N[C@@H](C)C(N)=O ZINC001491640577 893303821 /nfs/dbraw/zinc/30/38/21/893303821.db2.gz UQXWQXISLXEAEC-IUCAKERBSA-N 0 3 267.333 -1.069 20 0 CAADHN COCCn1cc(C(=O)NC[C@H](C)NCC(N)=O)cn1 ZINC001491654936 893304093 /nfs/dbraw/zinc/30/40/93/893304093.db2.gz PYIIYXZRRDQVKT-VIFPVBQESA-N 0 3 283.332 -1.277 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)CCNC(N)=O ZINC001491663918 893304280 /nfs/dbraw/zinc/30/42/80/893304280.db2.gz FTXVEGSQIHDJRE-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)NCC(=O)NC1CC1 ZINC001491665144 893304315 /nfs/dbraw/zinc/30/43/15/893304315.db2.gz PQMKVGPWHRXLQI-MRVPVSSYSA-N 0 3 285.348 -1.582 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)NCC(=O)N1CCC1 ZINC001491663722 893304614 /nfs/dbraw/zinc/30/46/14/893304614.db2.gz DVDGGTRTTQZZKJ-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN1CC(=O)N(C)C1=O ZINC001491640467 893304743 /nfs/dbraw/zinc/30/47/43/893304743.db2.gz SWPATINZUHSPGP-QMMMGPOBSA-N 0 3 299.331 -2.279 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CC(=O)NCC)C1 ZINC001491721160 893305235 /nfs/dbraw/zinc/30/52/35/893305235.db2.gz RDSYGSPJHHJPRX-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@H](CNC(=O)c1noc2c1COCC2)NCC(N)=O ZINC001491681902 893306099 /nfs/dbraw/zinc/30/60/99/893306099.db2.gz CVVACNAEQYVMAX-SSDOTTSWSA-N 0 3 282.300 -1.060 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](C)NCC(=O)NC ZINC001491681088 893306377 /nfs/dbraw/zinc/30/63/77/893306377.db2.gz BWTSBRNOZINSIU-MRVPVSSYSA-N 0 3 279.362 -1.739 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001491712529 893307129 /nfs/dbraw/zinc/30/71/29/893307129.db2.gz DRIBYMLDPIGMRK-QMMMGPOBSA-N 0 3 251.290 -1.040 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001491732654 893307164 /nfs/dbraw/zinc/30/71/64/893307164.db2.gz ZIEYWRQNWUVNBY-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN CN(C)C1(C(=O)NCCCNC(=O)C(N)=O)CCC1 ZINC001491729774 893307796 /nfs/dbraw/zinc/30/77/96/893307796.db2.gz GMEXQFDOKITFPH-UHFFFAOYSA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CC(N)=O)C1)C(=O)NC1CC1 ZINC001491718562 893308723 /nfs/dbraw/zinc/30/87/23/893308723.db2.gz KRFWGJNNEPZGBP-SCZZXKLOSA-N 0 3 282.344 -1.281 20 0 CAADHN NC(=O)CN1CCC[C@@H]1CCCNC(=O)[C@@H]1CCNC1=O ZINC001492164217 893325278 /nfs/dbraw/zinc/32/52/78/893325278.db2.gz TWITUWPVZLLFHP-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN CN(CCCO)CCNC(=O)CN1CCOCC1 ZINC001492231400 893331653 /nfs/dbraw/zinc/33/16/53/893331653.db2.gz RBLSZCGBERXJQV-UHFFFAOYSA-N 0 3 259.350 -1.251 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)C(C)(C)C(N)=O ZINC001492291312 893341704 /nfs/dbraw/zinc/34/17/04/893341704.db2.gz LGFWQFDRKSOURI-VIFPVBQESA-N 0 3 275.349 -1.447 20 0 CAADHN CN(CCNC(=O)Cn1ncnn1)CCc1cnn(C)c1 ZINC001492253260 893343461 /nfs/dbraw/zinc/34/34/61/893343461.db2.gz SQWWZRDYCBWSGC-UHFFFAOYSA-N 0 3 292.347 -1.303 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001492859191 893362002 /nfs/dbraw/zinc/36/20/02/893362002.db2.gz CSUQUJSPMKRRJK-BDAKNGLRSA-N 0 3 279.362 -1.893 20 0 CAADHN CNC(=O)[C@@H](C)N(C)CCNC(=O)c1nc[nH]n1 ZINC001492461052 893352078 /nfs/dbraw/zinc/35/20/78/893352078.db2.gz UQMZLJPMJJOYHL-SSDOTTSWSA-N 0 3 254.294 -1.399 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001493497101 893400472 /nfs/dbraw/zinc/40/04/72/893400472.db2.gz FKEPOBMEGRLWSB-HTQZYQBOSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)[C@H](C)N(C)CCNC(=O)c1nc[nH]n1 ZINC001492461053 893352227 /nfs/dbraw/zinc/35/22/27/893352227.db2.gz UQMZLJPMJJOYHL-ZETCQYMHSA-N 0 3 254.294 -1.399 20 0 CAADHN C[C@H](C(=O)NC(N)=O)N(C)CCNC(=O)Cc1cnc[nH]1 ZINC001492432076 893352858 /nfs/dbraw/zinc/35/28/58/893352858.db2.gz YVTVATKIKJZZAY-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](C(=O)NC(N)=O)N(C)CCNC(=O)Cc1cnc[nH]1 ZINC001492432077 893354644 /nfs/dbraw/zinc/35/46/44/893354644.db2.gz YVTVATKIKJZZAY-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CN(CCO)CCNC(=O)CCCN1C(=O)CNC1=O ZINC001492845551 893358245 /nfs/dbraw/zinc/35/82/45/893358245.db2.gz AIUMGCMTYGAJSN-UHFFFAOYSA-N 0 3 286.332 -1.641 20 0 CAADHN CN(CCO)CCNC(=O)c1cccnc1C(N)=O ZINC001492871274 893359694 /nfs/dbraw/zinc/35/96/94/893359694.db2.gz LGMLIBWFXOYHMJ-UHFFFAOYSA-N 0 3 266.301 -1.166 20 0 CAADHN CCN(CCNC(=O)[C@@H]1COCCO1)C[C@H](O)COC ZINC001492916778 893360572 /nfs/dbraw/zinc/36/05/72/893360572.db2.gz KTZWNEGQOCXJQG-RYUDHWBXSA-N 0 3 290.360 -1.153 20 0 CAADHN CN(CCO)CCNC(=O)c1nccnc1C(N)=O ZINC001492848405 893361655 /nfs/dbraw/zinc/36/16/55/893361655.db2.gz ACLPXDFEAIIQLF-UHFFFAOYSA-N 0 3 267.289 -1.771 20 0 CAADHN CN(CCCNC(=O)C(N)=O)C(=O)CN1CCCC1 ZINC001492818720 893363585 /nfs/dbraw/zinc/36/35/85/893363585.db2.gz ZLFBTFTWBSVZKV-UHFFFAOYSA-N 0 3 270.333 -1.468 20 0 CAADHN CCN(CCNC(=O)c1cn[nH]n1)[C@H]1CCNC1=O ZINC001492982242 893365083 /nfs/dbraw/zinc/36/50/83/893365083.db2.gz MKNCRNRQJXYLGN-VIFPVBQESA-N 0 3 266.305 -1.255 20 0 CAADHN CCN(CCNC(=O)c1ncn(C)n1)C[C@H](O)COC ZINC001492948858 893367763 /nfs/dbraw/zinc/36/77/63/893367763.db2.gz YJHRWMSUKWOLBJ-JTQLQIEISA-N 0 3 285.348 -1.126 20 0 CAADHN CCN(CCNC(=O)c1ncn[nH]1)[C@@H](C)C(=O)NC ZINC001493033037 893375564 /nfs/dbraw/zinc/37/55/64/893375564.db2.gz JPZLTQWICKDHSE-QMMMGPOBSA-N 0 3 268.321 -1.009 20 0 CAADHN CCN(CCNC(=O)c1nc[nH]n1)[C@@H](C)C(=O)NC ZINC001493033037 893375581 /nfs/dbraw/zinc/37/55/81/893375581.db2.gz JPZLTQWICKDHSE-QMMMGPOBSA-N 0 3 268.321 -1.009 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@H]1CCCN1CCO ZINC001493123224 893378105 /nfs/dbraw/zinc/37/81/05/893378105.db2.gz YCPZWVKQNOWWSL-SNVBAGLBSA-N 0 3 296.327 -1.478 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)NC[C@@H]1CCCN1CCO ZINC001493123219 893378481 /nfs/dbraw/zinc/37/84/81/893378481.db2.gz YCPZWVKQNOWWSL-JTQLQIEISA-N 0 3 296.327 -1.478 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)CNC(=O)NC)C1 ZINC001493207133 893381327 /nfs/dbraw/zinc/38/13/27/893381327.db2.gz METXXGUYEDXZSY-VHSXEESVSA-N 0 3 299.375 -1.383 20 0 CAADHN CN1CCC[C@@H](N2CC[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001493228219 893381946 /nfs/dbraw/zinc/38/19/46/893381946.db2.gz AMHWGXNIOOIRKC-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)CNC(=O)NC)C1 ZINC001493207134 893382554 /nfs/dbraw/zinc/38/25/54/893382554.db2.gz METXXGUYEDXZSY-ZJUUUORDSA-N 0 3 299.375 -1.383 20 0 CAADHN CCN1CC[C@@H](N2CC[C@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001493188093 893383221 /nfs/dbraw/zinc/38/32/21/893383221.db2.gz CEQKWNBLYCGDAV-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CN1CC[C@@H](N2CC[C@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001493188183 893383759 /nfs/dbraw/zinc/38/37/59/893383759.db2.gz CYABUWAVTNGARJ-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@H]1CCCN1CCO ZINC001493168244 893385968 /nfs/dbraw/zinc/38/59/68/893385968.db2.gz QZGXKEDGLLURIZ-ZJUUUORDSA-N 0 3 283.328 -1.388 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@H]1CCN(C(=O)C(N)=O)C1)N(C)C ZINC001493310104 893388005 /nfs/dbraw/zinc/38/80/05/893388005.db2.gz BEWAKKITOAHTGA-UWVGGRQHSA-N 0 3 284.360 -1.225 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001493247068 893388780 /nfs/dbraw/zinc/38/87/80/893388780.db2.gz FHTHMLCZKWIPNV-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001493251120 893391179 /nfs/dbraw/zinc/39/11/79/893391179.db2.gz XQVHKMYTKBNEFP-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCN(CCO)C2CC2)C1 ZINC001493358828 893394812 /nfs/dbraw/zinc/39/48/12/893394812.db2.gz VWLGKVHJXGWMSM-GFCCVEGCSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCN(CC(=O)NCCN(CCO)C2CC2)CC1=O ZINC001493384117 893395397 /nfs/dbraw/zinc/39/53/97/893395397.db2.gz DFSHPSOYBJBNFS-UHFFFAOYSA-N 0 3 298.387 -1.667 20 0 CAADHN COC[C@@H](O)CN(CCNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001493399562 893396114 /nfs/dbraw/zinc/39/61/14/893396114.db2.gz FJHGMZSHZGOLSN-RYUDHWBXSA-N 0 3 299.371 -1.290 20 0 CAADHN CN1CCO[C@H](C(=O)NCCN(CCO)C2CC2)C1 ZINC001493358829 893396404 /nfs/dbraw/zinc/39/64/04/893396404.db2.gz VWLGKVHJXGWMSM-LBPRGKRZSA-N 0 3 271.361 -1.110 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001493343502 893397839 /nfs/dbraw/zinc/39/78/39/893397839.db2.gz RLFDUUIZUWNONB-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001493343500 893398405 /nfs/dbraw/zinc/39/84/05/893398405.db2.gz RLFDUUIZUWNONB-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CC(=O)NCC(=O)N(C)CCNCC(=O)NC1CC1 ZINC001493461931 893398908 /nfs/dbraw/zinc/39/89/08/893398908.db2.gz WBDCGMFHRIXWOV-UHFFFAOYSA-N 0 3 270.333 -1.551 20 0 CAADHN CN(CCNCc1cnn(C)c1)C(=O)CC(N)=O ZINC001493502621 893399273 /nfs/dbraw/zinc/39/92/73/893399273.db2.gz HAUXFKMPLGAXCQ-UHFFFAOYSA-N 0 3 253.306 -1.157 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001493472002 893399933 /nfs/dbraw/zinc/39/99/33/893399933.db2.gz DKLISJJKXLLJAY-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CCn1cncn1 ZINC001493476532 893399976 /nfs/dbraw/zinc/39/99/76/893399976.db2.gz CUIUWPQJUQEMQM-UHFFFAOYSA-N 0 3 268.321 -1.538 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1COCCO1)C(N)=O ZINC001493483142 893400654 /nfs/dbraw/zinc/40/06/54/893400654.db2.gz GMTOXPCZIPKYOY-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN Cc1c(C(=O)N(C)CCN[C@@H]2CCNC2=O)nnn1C ZINC001493507320 893400821 /nfs/dbraw/zinc/40/08/21/893400821.db2.gz GKVGFMGACRQDGG-SECBINFHSA-N 0 3 280.332 -1.326 20 0 CAADHN Cc1c(C(=O)N(C)CCNCC(N)=O)nnn1C ZINC001493507616 893400982 /nfs/dbraw/zinc/40/09/82/893400982.db2.gz ICQOKNMQSHMVBY-UHFFFAOYSA-N 0 3 254.294 -1.730 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1COCCO1)C(N)=O ZINC001493483141 893401415 /nfs/dbraw/zinc/40/14/15/893401415.db2.gz GMTOXPCZIPKYOY-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCCO1)C(=O)NC(N)=O ZINC001493472331 893401655 /nfs/dbraw/zinc/40/16/55/893401655.db2.gz KYVSHQYDKWQKOJ-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)CN(C)C(C)=O ZINC001493483292 893401667 /nfs/dbraw/zinc/40/16/67/893401667.db2.gz VHGXOXGOTDEYAA-UHFFFAOYSA-N 0 3 272.349 -1.351 20 0 CAADHN CCO[C@H](C)C(=O)N(C)CCNCC(=O)NC(=O)NC ZINC001493485136 893401809 /nfs/dbraw/zinc/40/18/09/893401809.db2.gz VVDVMPDQSMWSCM-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)CS(C)(=O)=O ZINC001493486372 893401863 /nfs/dbraw/zinc/40/18/63/893401863.db2.gz CWHAPIYRTDCRLA-VIFPVBQESA-N 0 3 291.373 -1.690 20 0 CAADHN CCOCC(=O)N(C)CCN[C@@H](C)C(=O)NC(=O)NC ZINC001493465875 893401958 /nfs/dbraw/zinc/40/19/58/893401958.db2.gz CODWSWRCPIBIOV-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CN(CCNCCF)C(=O)Cn1cnc(C(N)=O)n1 ZINC001493551269 893403758 /nfs/dbraw/zinc/40/37/58/893403758.db2.gz OPZUSFYWSHMTFM-UHFFFAOYSA-N 0 3 272.284 -1.606 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1cn(C)nn1 ZINC001493536828 893403841 /nfs/dbraw/zinc/40/38/41/893403841.db2.gz BIKJAEMOXLORIC-UHFFFAOYSA-N 0 3 297.319 -2.068 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)CN1CCOCC1 ZINC001493523238 893403883 /nfs/dbraw/zinc/40/38/83/893403883.db2.gz CNLMUJQZIXSBEP-UHFFFAOYSA-N 0 3 286.376 -1.545 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)c1cnn(C)c1N ZINC001493521820 893404029 /nfs/dbraw/zinc/40/40/29/893404029.db2.gz DPHMCKWLCAQKHH-UHFFFAOYSA-N 0 3 294.359 -1.104 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001493551412 893404530 /nfs/dbraw/zinc/40/45/30/893404530.db2.gz YHZGOLXYLZDMFL-MRVPVSSYSA-N 0 3 267.293 -2.390 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cnnn1C)C(=O)N(C)C ZINC001493534684 893404662 /nfs/dbraw/zinc/40/46/62/893404662.db2.gz QEOVZONKLFUNEZ-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CC(=O)N(C)C1)C(=O)N(C)C ZINC001493569569 893404723 /nfs/dbraw/zinc/40/47/23/893404723.db2.gz LEBLLVUYIIQVRL-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@]12C[C@H]1COC2 ZINC001493558684 893404772 /nfs/dbraw/zinc/40/47/72/893404772.db2.gz RZOQLCBXDQNDRE-CWSCBRNRSA-N 0 3 267.329 -1.041 20 0 CAADHN CCN(C)C(=O)CNCCN(C)C(=O)c1ncn(C)n1 ZINC001493537585 893405110 /nfs/dbraw/zinc/40/51/10/893405110.db2.gz JXMPXUXZKYHOIK-UHFFFAOYSA-N 0 3 282.348 -1.045 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001493554271 893405299 /nfs/dbraw/zinc/40/52/99/893405299.db2.gz HWDICHLLPYSKAS-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001493545101 893405314 /nfs/dbraw/zinc/40/53/14/893405314.db2.gz KLVWQNRETUCHOH-UHFFFAOYSA-N 0 3 268.321 -1.550 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001493554274 893405353 /nfs/dbraw/zinc/40/53/53/893405353.db2.gz HWDICHLLPYSKAS-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001493551420 893405379 /nfs/dbraw/zinc/40/53/79/893405379.db2.gz YHZGOLXYLZDMFL-QMMMGPOBSA-N 0 3 267.293 -2.390 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1COC(=O)N1)C(N)=O ZINC001493533752 893405395 /nfs/dbraw/zinc/40/53/95/893405395.db2.gz KAKURNFIKDLHIA-SFYZADRCSA-N 0 3 272.305 -1.593 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1CC(=O)N(C)C1)C(N)=O ZINC001493569945 893405542 /nfs/dbraw/zinc/40/55/42/893405542.db2.gz LGXLMOZLJMWPPN-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001493516441 893405787 /nfs/dbraw/zinc/40/57/87/893405787.db2.gz MVZGJDNLZMXWJS-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)CO[C@H]1CCOC1 ZINC001493544979 893405860 /nfs/dbraw/zinc/40/58/60/893405860.db2.gz HDRYDCFRYAUCEV-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)CO[C@@H]1CCOC1 ZINC001493544964 893405878 /nfs/dbraw/zinc/40/58/78/893405878.db2.gz HDRYDCFRYAUCEV-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1COC(=O)N1)C(N)=O ZINC001493533756 893405924 /nfs/dbraw/zinc/40/59/24/893405924.db2.gz KAKURNFIKDLHIA-YUMQZZPRSA-N 0 3 272.305 -1.593 20 0 CAADHN CNC(=O)NCCC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001493537333 893405956 /nfs/dbraw/zinc/40/59/56/893405956.db2.gz HPZVXAPVVXAYNZ-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CN1CCOCC1=O ZINC001493579791 893407160 /nfs/dbraw/zinc/40/71/60/893407160.db2.gz OUAWCWPVVOZFJJ-JTQLQIEISA-N 0 3 298.343 -2.218 20 0 CAADHN CC(=O)N1CCC[C@@H](C(=O)N(C)CCNCC(N)=O)C1 ZINC001493617898 893407266 /nfs/dbraw/zinc/40/72/66/893407266.db2.gz DNGGXJBFYBXEJJ-LLVKDONJSA-N 0 3 284.360 -1.222 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001493586685 893407414 /nfs/dbraw/zinc/40/74/14/893407414.db2.gz BLKSXLIDUIRERD-UHFFFAOYSA-N 0 3 281.316 -1.068 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001493654993 893407451 /nfs/dbraw/zinc/40/74/51/893407451.db2.gz RIHFNEFTGNZVRZ-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN COC[C@@H](O)C[NH2+]CCN(C)C(=O)c1cnc[n-]c1=O ZINC001493587720 893407897 /nfs/dbraw/zinc/40/78/97/893407897.db2.gz BFODMZXBFVXFOX-VIFPVBQESA-N 0 3 284.316 -1.149 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CCNC1=O ZINC001493654711 893408015 /nfs/dbraw/zinc/40/80/15/893408015.db2.gz JNUYCGZOFRDJME-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001493655194 893408132 /nfs/dbraw/zinc/40/81/32/893408132.db2.gz WOUGTAFJNCPHRT-UWVGGRQHSA-N 0 3 297.359 -1.711 20 0 CAADHN Cc1nc(C(=O)N(C)CCNCC(N)=O)c(=O)[nH]c1C ZINC001493596520 893408325 /nfs/dbraw/zinc/40/83/25/893408325.db2.gz YGNWSXXOYNAZIZ-UHFFFAOYSA-N 0 3 281.316 -1.466 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001493654994 893408487 /nfs/dbraw/zinc/40/84/87/893408487.db2.gz RIHFNEFTGNZVRZ-QWRGUYRKSA-N 0 3 296.371 -1.176 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001493655195 893408919 /nfs/dbraw/zinc/40/89/19/893408919.db2.gz WOUGTAFJNCPHRT-VHSXEESVSA-N 0 3 297.359 -1.711 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1ccn2nnnc2c1 ZINC001493653846 893408969 /nfs/dbraw/zinc/40/89/69/893408969.db2.gz MIRRHTAPLGCZOB-UHFFFAOYSA-N 0 3 291.315 -1.468 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCNC1=O ZINC001493654708 893409012 /nfs/dbraw/zinc/40/90/12/893409012.db2.gz JNUYCGZOFRDJME-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CO[C@@H]1COCC[C@H]1CC(=O)N(C)CCNCC(N)=O ZINC001493576393 893409165 /nfs/dbraw/zinc/40/91/65/893409165.db2.gz BLKJMWJGSQUQDD-WDEREUQCSA-N 0 3 287.360 -1.039 20 0 CAADHN CC(=O)N1CCC[C@H](C(=O)N(C)CCNCC(N)=O)C1 ZINC001493617901 893409188 /nfs/dbraw/zinc/40/91/88/893409188.db2.gz DNGGXJBFYBXEJJ-NSHDSACASA-N 0 3 284.360 -1.222 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](CNC(=O)C(N)=O)C1CC1)N(C)C ZINC001493678103 893410244 /nfs/dbraw/zinc/41/02/44/893410244.db2.gz UVSTUFFKWIEJBA-UWVGGRQHSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001493673704 893410539 /nfs/dbraw/zinc/41/05/39/893410539.db2.gz KYEFRXMOGBACBN-SFYZADRCSA-N 0 3 271.321 -2.150 20 0 CAADHN CC[C@@H](C(=O)N[C@H](CNC(=O)C(N)=O)C1CC1)N(C)C ZINC001493678115 893410615 /nfs/dbraw/zinc/41/06/15/893410615.db2.gz UVSTUFFKWIEJBA-ZJUUUORDSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001493673701 893410761 /nfs/dbraw/zinc/41/07/61/893410761.db2.gz KYEFRXMOGBACBN-JGVFFNPUSA-N 0 3 271.321 -2.150 20 0 CAADHN CC[C@H](C(=O)N[C@H](CNC(=O)C(N)=O)C1CC1)N(C)C ZINC001493678102 893410982 /nfs/dbraw/zinc/41/09/82/893410982.db2.gz UVSTUFFKWIEJBA-NXEZZACHSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001493657192 893411104 /nfs/dbraw/zinc/41/11/04/893411104.db2.gz OLYGFEXGZSLIIO-BDAKNGLRSA-N 0 3 270.333 -1.471 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001493673366 893411290 /nfs/dbraw/zinc/41/12/90/893411290.db2.gz JBNGCGUHIACAQQ-YUMQZZPRSA-N 0 3 269.305 -2.396 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCC(=O)N1C ZINC001493665986 893411519 /nfs/dbraw/zinc/41/15/19/893411519.db2.gz BNXPAMVLYLJZMA-VHSXEESVSA-N 0 3 282.344 -1.456 20 0 CAADHN CC(C)N1C(=O)CC[C@H]1C(=O)N(C)CCNCC(N)=O ZINC001493668811 893411539 /nfs/dbraw/zinc/41/15/39/893411539.db2.gz CDMIGZWSIZFCAE-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCC(=O)N1C ZINC001493665980 893412241 /nfs/dbraw/zinc/41/22/41/893412241.db2.gz BNXPAMVLYLJZMA-NXEZZACHSA-N 0 3 282.344 -1.456 20 0 CAADHN CN(CCNCCNS(C)(=O)=O)C(=O)C(N)=O ZINC001493678938 893411774 /nfs/dbraw/zinc/41/17/74/893411774.db2.gz NBGLHGKTGFCUJP-UHFFFAOYSA-N 0 3 266.323 -2.931 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001493673706 893411974 /nfs/dbraw/zinc/41/19/74/893411974.db2.gz KYEFRXMOGBACBN-YUMQZZPRSA-N 0 3 271.321 -2.150 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccoc1CC(N)=O)C(N)=O ZINC001493670076 893412173 /nfs/dbraw/zinc/41/21/73/893412173.db2.gz UBAVCIOJKNCGAH-MRVPVSSYSA-N 0 3 296.327 -1.157 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C1(C(N)=O)CC1)C(=O)NC1CC1 ZINC001493678415 893412347 /nfs/dbraw/zinc/41/23/47/893412347.db2.gz KQXLUBPYTWEWEX-SECBINFHSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)C(N)=O ZINC001493696159 893413219 /nfs/dbraw/zinc/41/32/19/893413219.db2.gz PYQLCHSRAULFLR-HRDYMLBCSA-N 0 3 270.333 -1.580 20 0 CAADHN COCc1nocc1C(=O)N(C)CCNCC(N)=O ZINC001493760350 893413328 /nfs/dbraw/zinc/41/33/28/893413328.db2.gz UFTMOFSHLXIRDY-UHFFFAOYSA-N 0 3 270.289 -1.032 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)C(N)=O ZINC001493696165 893413354 /nfs/dbraw/zinc/41/33/54/893413354.db2.gz PYQLCHSRAULFLR-VGMNWLOBSA-N 0 3 270.333 -1.580 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@]1(C)CCNC1=O ZINC001493695452 893413834 /nfs/dbraw/zinc/41/38/34/893413834.db2.gz QRPJCUJBYUZVTD-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)Cc1cnc[nH]1 ZINC001493708330 893414458 /nfs/dbraw/zinc/41/44/58/893414458.db2.gz GXKQYGQRMHAKAT-JTQLQIEISA-N 0 3 265.317 -1.111 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)C(=O)NCC1CC1 ZINC001493753500 893414637 /nfs/dbraw/zinc/41/46/37/893414637.db2.gz ZGSVBLNVLHWHQR-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCCC(=O)N1C ZINC001493781639 893414713 /nfs/dbraw/zinc/41/47/13/893414713.db2.gz ZNWPOVSMPAFTAS-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCN[C@@H]2CCCNC2=O)CC1 ZINC001493733444 893414732 /nfs/dbraw/zinc/41/47/32/893414732.db2.gz WJROXBMGLZDOPF-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCCC(=O)N1C ZINC001493781637 893414894 /nfs/dbraw/zinc/41/48/94/893414894.db2.gz ZNWPOVSMPAFTAS-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001493761504 893414969 /nfs/dbraw/zinc/41/49/69/893414969.db2.gz MCDCFKQRDRGEBM-QMMMGPOBSA-N 0 3 299.331 -2.198 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCN[C@@H](C)C(N)=O)CC1 ZINC001493732963 893415030 /nfs/dbraw/zinc/41/50/30/893415030.db2.gz RHBXMCDFXDWPAZ-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@]1(C)CCNC1=O ZINC001493695453 893415047 /nfs/dbraw/zinc/41/50/47/893415047.db2.gz QRPJCUJBYUZVTD-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)Cn1cncn1 ZINC001493787244 893415084 /nfs/dbraw/zinc/41/50/84/893415084.db2.gz MDPFEZXOHASRNJ-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@]1(C)CCNC1=O ZINC001493695451 893415100 /nfs/dbraw/zinc/41/51/00/893415100.db2.gz QRPJCUJBYUZVTD-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N(C)CCNCCF)C(N)=O ZINC001493720144 893415378 /nfs/dbraw/zinc/41/53/78/893415378.db2.gz JINJBBFDNQEXQI-VIFPVBQESA-N 0 3 276.312 -1.616 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H](C)NS(C)(=O)=O)C(N)=O ZINC001493706912 893415659 /nfs/dbraw/zinc/41/56/59/893415659.db2.gz QBBODHSSZCYQEM-HTQZYQBOSA-N 0 3 294.377 -2.154 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001493784622 893415729 /nfs/dbraw/zinc/41/57/29/893415729.db2.gz VAGSMGRBXHIWCP-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)Cc1cnc[nH]1 ZINC001493708331 893415743 /nfs/dbraw/zinc/41/57/43/893415743.db2.gz GXKQYGQRMHAKAT-SNVBAGLBSA-N 0 3 265.317 -1.111 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCCC(=O)N1C ZINC001493781640 893415845 /nfs/dbraw/zinc/41/58/45/893415845.db2.gz ZNWPOVSMPAFTAS-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001493927027 893418460 /nfs/dbraw/zinc/41/84/60/893418460.db2.gz ARVVNDIWHOQXQP-VIFPVBQESA-N 0 3 284.360 -1.081 20 0 CAADHN CN(CCN1CCN(CC2CC2)CC1)C(=O)C(N)=O ZINC001494102495 893420879 /nfs/dbraw/zinc/42/08/79/893420879.db2.gz NIJMMGJHORZZDV-UHFFFAOYSA-N 0 3 268.361 -1.042 20 0 CAADHN CC[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC001494079486 893421427 /nfs/dbraw/zinc/42/14/27/893421427.db2.gz CRHBTJWWOKJRDH-CIUDSAMLSA-N 0 3 270.333 -1.425 20 0 CAADHN CC(=O)NCC(=O)NCC[C@@H]1CCN([C@H](C)C(N)=O)C1 ZINC001493983621 893422388 /nfs/dbraw/zinc/42/23/88/893422388.db2.gz KWIHFVDMBSXBJD-MWLCHTKSSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001494022426 893422964 /nfs/dbraw/zinc/42/29/64/893422964.db2.gz WDMRXYYJUSJECW-NXEZZACHSA-N 0 3 295.347 -1.625 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001494153665 893424301 /nfs/dbraw/zinc/42/43/01/893424301.db2.gz LGQBGFSXVLFSIA-RKDXNWHRSA-N 0 3 295.347 -1.522 20 0 CAADHN C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001494153653 893425336 /nfs/dbraw/zinc/42/53/36/893425336.db2.gz LGQBGFSXVLFSIA-DTWKUNHWSA-N 0 3 295.347 -1.522 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001494153644 893426889 /nfs/dbraw/zinc/42/68/89/893426889.db2.gz LGQBGFSXVLFSIA-BDAKNGLRSA-N 0 3 295.347 -1.522 20 0 CAADHN CO[C@@H](C)CN1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001494558109 893445257 /nfs/dbraw/zinc/44/52/57/893445257.db2.gz AEBQQXRHFBNZAT-NSHDSACASA-N 0 3 299.371 -1.072 20 0 CAADHN CO[C@H](C)CN1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001494558102 893447580 /nfs/dbraw/zinc/44/75/80/893447580.db2.gz AEBQQXRHFBNZAT-LLVKDONJSA-N 0 3 299.371 -1.072 20 0 CAADHN O=C(Cn1cncn1)NCC1CN(CCCO)C1 ZINC001494625725 893449163 /nfs/dbraw/zinc/44/91/63/893449163.db2.gz PVXGMARBEWFWNK-UHFFFAOYSA-N 0 3 253.306 -1.292 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCC1CN(C[C@H](C)O)C1 ZINC001494600156 893449828 /nfs/dbraw/zinc/44/98/28/893449828.db2.gz MQCSHTIYIAZLNR-DTWKUNHWSA-N 0 3 293.389 -1.647 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001494600155 893450462 /nfs/dbraw/zinc/45/04/62/893450462.db2.gz MQCSHTIYIAZLNR-BDAKNGLRSA-N 0 3 293.389 -1.647 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001494600158 893450596 /nfs/dbraw/zinc/45/05/96/893450596.db2.gz MQCSHTIYIAZLNR-IUCAKERBSA-N 0 3 293.389 -1.647 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001494624340 893450966 /nfs/dbraw/zinc/45/09/66/893450966.db2.gz FVUIGKHQMJIGCU-SECBINFHSA-N 0 3 298.343 -1.691 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001494736242 893458161 /nfs/dbraw/zinc/45/81/61/893458161.db2.gz JECJAEUIRMWTQX-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001494710309 893458535 /nfs/dbraw/zinc/45/85/35/893458535.db2.gz UTZVDOWOTBWNKK-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN CCN(C(=O)CC(N)=O)[C@@H]1CCN(C[C@H](O)COC)C1 ZINC001494889215 893460740 /nfs/dbraw/zinc/46/07/40/893460740.db2.gz FGNAAUPUVYPNFP-MNOVXSKESA-N 0 3 287.360 -1.208 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001494820806 893460827 /nfs/dbraw/zinc/46/08/27/893460827.db2.gz WQRBJHICNXDGBD-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CN(C)CCO1)NCC(N)=O ZINC001494960446 893464768 /nfs/dbraw/zinc/46/47/68/893464768.db2.gz VVCCFJAKJVGHRO-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN CC[C@@H](CNC(=O)C1CN(C(C)=O)C1)NCC(N)=O ZINC001494970043 893464818 /nfs/dbraw/zinc/46/48/18/893464818.db2.gz NJIBNMLPRIFOSY-JTQLQIEISA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@H](CNC(=O)CCNC(=O)NC)N[C@H](C)C(N)=O ZINC001494975123 893464899 /nfs/dbraw/zinc/46/48/99/893464899.db2.gz HYEQKZOYBMLVBV-RKDXNWHRSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@H](CNC(=O)Cc1cc[nH]n1)NCC(N)=O ZINC001494960873 893465047 /nfs/dbraw/zinc/46/50/47/893465047.db2.gz YLAKUAGQRFWZRP-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN CC[C@H](CNC(=O)CC(N)=O)N[C@H]1CCNC1=O ZINC001494953449 893465257 /nfs/dbraw/zinc/46/52/57/893465257.db2.gz KESYMRSHVZAOCE-SFYZADRCSA-N 0 3 256.306 -1.765 20 0 CAADHN CC[C@H](CNC(=O)C1CN(C(C)=O)C1)NCC(N)=O ZINC001494970044 893465573 /nfs/dbraw/zinc/46/55/73/893465573.db2.gz NJIBNMLPRIFOSY-SNVBAGLBSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@@H](CNC(=O)CC(N)=O)N[C@@H]1CCNC1=O ZINC001494953448 893465817 /nfs/dbraw/zinc/46/58/17/893465817.db2.gz KESYMRSHVZAOCE-JGVFFNPUSA-N 0 3 256.306 -1.765 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCOCC1)NCC(=O)NC ZINC001494966956 893466072 /nfs/dbraw/zinc/46/60/72/893466072.db2.gz ZGPBRJVDWLNIKQ-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CN(C)CCO1)NCC(N)=O ZINC001494960445 893466258 /nfs/dbraw/zinc/46/62/58/893466258.db2.gz VVCCFJAKJVGHRO-VHSXEESVSA-N 0 3 272.349 -1.713 20 0 CAADHN CCN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CCN(CCO)C1 ZINC001494902861 893466485 /nfs/dbraw/zinc/46/64/85/893466485.db2.gz BQWJBXHBZKCBMJ-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN CC[C@H](CNC(=O)c1ccc2n[nH]nc2n1)NCC(N)=O ZINC001494987260 893468533 /nfs/dbraw/zinc/46/85/33/893468533.db2.gz IIDOZPGGXVPUOC-SSDOTTSWSA-N 0 3 291.315 -1.064 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(=O)NC ZINC001494989619 893468808 /nfs/dbraw/zinc/46/88/08/893468808.db2.gz QWEKGSCMVSXQSQ-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)N[C@H](C)C(N)=O ZINC001494988896 893469226 /nfs/dbraw/zinc/46/92/26/893469226.db2.gz OAIHESXSZMFYMU-HTQZYQBOSA-N 0 3 273.337 -1.726 20 0 CAADHN CC[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)NCC(N)=O ZINC001494984842 893469351 /nfs/dbraw/zinc/46/93/51/893469351.db2.gz LAKNREASAFPWDL-SFYZADRCSA-N 0 3 273.337 -1.597 20 0 CAADHN CC[C@H](CNC(=O)c1cn2c(n1)COCC2)NCC(N)=O ZINC001495004192 893469719 /nfs/dbraw/zinc/46/97/19/893469719.db2.gz CNDGOUWUSGBSQY-SECBINFHSA-N 0 3 295.343 -1.003 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)N[C@@H](C)C(N)=O ZINC001494989093 893470197 /nfs/dbraw/zinc/47/01/97/893470197.db2.gz OAIHESXSZMFYMU-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN CC[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)NCC(N)=O ZINC001495058700 893471128 /nfs/dbraw/zinc/47/11/28/893471128.db2.gz QPPWLDNWMJSIIN-UFBFGSQYSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NCC(N)=O ZINC001495102597 893471172 /nfs/dbraw/zinc/47/11/72/893471172.db2.gz CGJKKHBZLHAKPV-QMMMGPOBSA-N 0 3 281.316 -1.636 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(N)=O)NCC(N)=O ZINC001495103512 893471221 /nfs/dbraw/zinc/47/12/21/893471221.db2.gz NQILGWKJJFLDAC-ZETCQYMHSA-N 0 3 259.310 -1.986 20 0 CAADHN CC[C@H](CNC(=O)c1cn(C)ccc1=O)NCC(N)=O ZINC001495017930 893471241 /nfs/dbraw/zinc/47/12/41/893471241.db2.gz XWZANKAHIYXYSR-SECBINFHSA-N 0 3 280.328 -1.031 20 0 CAADHN CC[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)NCC(N)=O ZINC001495075555 893471529 /nfs/dbraw/zinc/47/15/29/893471529.db2.gz ZUIGRKKCHOSZMP-QMMMGPOBSA-N 0 3 284.316 -1.991 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N1CCC1 ZINC001495049844 893471617 /nfs/dbraw/zinc/47/16/17/893471617.db2.gz KSDPRIUUPLTOAT-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)N[C@@H]1CCN(CC)C1=O ZINC001495049618 893471908 /nfs/dbraw/zinc/47/19/08/893471908.db2.gz KYVSYBRQBKFLKL-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)NCC(N)=O ZINC001495065300 893472088 /nfs/dbraw/zinc/47/20/88/893472088.db2.gz RBJPGSVFALSQER-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)NCC(=O)N(C)CC ZINC001495038612 893472153 /nfs/dbraw/zinc/47/21/53/893472153.db2.gz QNFDULIQPOOWLB-VIFPVBQESA-N 0 3 297.363 -1.214 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(C)ccc1=O)NCC(N)=O ZINC001495017931 893472655 /nfs/dbraw/zinc/47/26/55/893472655.db2.gz XWZANKAHIYXYSR-VIFPVBQESA-N 0 3 280.328 -1.031 20 0 CAADHN CC[C@H](CNC(=O)CCn1cnnn1)N[C@@H](C)C(=O)NC ZINC001495079230 893472721 /nfs/dbraw/zinc/47/27/21/893472721.db2.gz HCSMHTSBBVGUPP-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN CC[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@@H]1CCNC1=O ZINC001495051936 893472788 /nfs/dbraw/zinc/47/27/88/893472788.db2.gz VMOSYPULMRFCIK-DTWKUNHWSA-N 0 3 293.327 -1.244 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N1CCC1 ZINC001495049843 893473028 /nfs/dbraw/zinc/47/30/28/893473028.db2.gz KSDPRIUUPLTOAT-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN CC[C@@H](CNC(=O)Cc1c[nH]cn1)NCC(N)=O ZINC001495062967 893473271 /nfs/dbraw/zinc/47/32/71/893473271.db2.gz FQTDWVGPRMFJHX-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(N)=O ZINC001495046226 893473404 /nfs/dbraw/zinc/47/34/04/893473404.db2.gz IYJXZDPTVKJYMJ-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@H]1CCNC1=O ZINC001495051934 893473458 /nfs/dbraw/zinc/47/34/58/893473458.db2.gz VMOSYPULMRFCIK-BDAKNGLRSA-N 0 3 293.327 -1.244 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)NCC(N)=O ZINC001495065290 893473468 /nfs/dbraw/zinc/47/34/68/893473468.db2.gz RBJPGSVFALSQER-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN Cn1[nH]c(CNC[C@](C)(NC(=O)C(N)=O)C2CC2)nc1=O ZINC001495283037 893474752 /nfs/dbraw/zinc/47/47/52/893474752.db2.gz ZEDYHYWQPWHMEV-LBPRGKRZSA-N 0 3 296.331 -2.032 20 0 CAADHN CCC(=O)NCC(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001495234275 893474902 /nfs/dbraw/zinc/47/49/02/893474902.db2.gz NQAOMKLAGCXUHX-ZDUSSCGKSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001495225462 893475050 /nfs/dbraw/zinc/47/50/50/893475050.db2.gz YASHSFNMHWHDPW-AWEZNQCLSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001495255035 893475090 /nfs/dbraw/zinc/47/50/90/893475090.db2.gz OOMFCFHFFBDLBO-LKFCYVNXSA-N 0 3 296.371 -1.128 20 0 CAADHN CN(C(=O)CNC[C@@](C)(NC(=O)C(N)=O)C1CC1)C1CC1 ZINC001495278831 893475265 /nfs/dbraw/zinc/47/52/65/893475265.db2.gz JKTWICWVQRKMTF-CQSZACIVSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)CC(N)=O)C1CC1 ZINC001495229108 893475319 /nfs/dbraw/zinc/47/53/19/893475319.db2.gz FVAOPJFNTWFGNZ-LLVKDONJSA-N 0 3 256.306 -1.778 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cn2cnnn2)CCCC1 ZINC001495130498 893475587 /nfs/dbraw/zinc/47/55/87/893475587.db2.gz WSDAJMQYEMVVCV-UHFFFAOYSA-N 0 3 281.320 -1.823 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001495152481 893475960 /nfs/dbraw/zinc/47/59/60/893475960.db2.gz MTZQZFBCHMJGOH-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)NCC(N)=O ZINC001495138239 893476171 /nfs/dbraw/zinc/47/61/71/893476171.db2.gz MLPXJINXPQJWSJ-BDAKNGLRSA-N 0 3 293.389 -1.363 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)CC(N)=O)C1CC1 ZINC001495229120 893476312 /nfs/dbraw/zinc/47/63/12/893476312.db2.gz FVAOPJFNTWFGNZ-NSHDSACASA-N 0 3 256.306 -1.778 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001495289492 893476351 /nfs/dbraw/zinc/47/63/51/893476351.db2.gz GEQLVKFMGGAIBF-SECBINFHSA-N 0 3 293.327 -1.289 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001495267076 893476528 /nfs/dbraw/zinc/47/65/28/893476528.db2.gz OEMWWRGLXSLBQC-NOZJJQNGSA-N 0 3 282.344 -1.518 20 0 CAADHN CC(C)NC(=O)CNC[C@@](C)(NC(=O)C(N)=O)C1CC1 ZINC001495280680 893476910 /nfs/dbraw/zinc/47/69/10/893476910.db2.gz QIKGVGDBFPZUGF-CYBMUJFWSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001495226215 893476954 /nfs/dbraw/zinc/47/69/54/893476954.db2.gz PBKREAZMONISTD-ZWNOBZJWSA-N 0 3 285.344 -1.238 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)CN1CCCC1=O)C1CC1 ZINC001495225467 893477064 /nfs/dbraw/zinc/47/70/64/893477064.db2.gz YASHSFNMHWHDPW-CQSZACIVSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)c1nc[n-]n1)C(N)=O ZINC001495583282 893481012 /nfs/dbraw/zinc/48/10/12/893481012.db2.gz CEWVQGPDPNXBEZ-HTQZYQBOSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@H]([NH2+]C[C@H]1CCCN1C(=O)c1nc[n-]n1)C(N)=O ZINC001495583286 893481719 /nfs/dbraw/zinc/48/17/19/893481719.db2.gz CEWVQGPDPNXBEZ-JGVFFNPUSA-N 0 3 266.305 -1.127 20 0 CAADHN CC[C@@H](C)NC(=O)CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001495575914 893482676 /nfs/dbraw/zinc/48/26/76/893482676.db2.gz JSSAVQQQBHZNQL-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@@H](NC[C@H]1CCCN1C(=O)C(N)=O)C(N)=O ZINC001495575636 893482739 /nfs/dbraw/zinc/48/27/39/893482739.db2.gz AZFKVVQLPBURSD-HTQZYQBOSA-N 0 3 256.306 -1.684 20 0 CAADHN C[C@@H](CNCc1nccn1C)CNC(=O)Cn1ncnn1 ZINC001495669375 893486051 /nfs/dbraw/zinc/48/60/51/893486051.db2.gz VVKJBURACYBJKS-JTQLQIEISA-N 0 3 292.347 -1.051 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)C[NH2+]CC(=O)NC1CC1 ZINC001495786413 893487989 /nfs/dbraw/zinc/48/79/89/893487989.db2.gz WXQYFPHCQYEOID-VIFPVBQESA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)C[NH2+]CC(=O)N1CCC1 ZINC001495781673 893489030 /nfs/dbraw/zinc/48/90/30/893489030.db2.gz AOPFPOJTRYBOQH-JTQLQIEISA-N 0 3 294.359 -1.079 20 0 CAADHN C[C@@H](CNCCN(C)S(C)(=O)=O)N(C)C(=O)C(N)=O ZINC001496142174 893506690 /nfs/dbraw/zinc/50/66/90/893506690.db2.gz NDQFUMMMJMPPNW-QMMMGPOBSA-N 0 3 294.377 -2.200 20 0 CAADHN C[C@H](CNCCN(C)S(C)(=O)=O)N(C)C(=O)C(N)=O ZINC001496142164 893508522 /nfs/dbraw/zinc/50/85/22/893508522.db2.gz NDQFUMMMJMPPNW-MRVPVSSYSA-N 0 3 294.377 -2.200 20 0 CAADHN CC[C@H](C(=O)N(C)CCNC(=O)C(N)=O)N(C)C ZINC001496491297 893522259 /nfs/dbraw/zinc/52/22/59/893522259.db2.gz HBIMWVXSFNSNCD-MRVPVSSYSA-N 0 3 258.322 -1.614 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](C)CN[C@@H]1CCNC1=O ZINC001495990049 893498125 /nfs/dbraw/zinc/49/81/25/893498125.db2.gz QJOKYLKRACNWDO-PSASIEDQSA-N 0 3 270.333 -1.553 20 0 CAADHN COCC(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001495980865 893498175 /nfs/dbraw/zinc/49/81/75/893498175.db2.gz ONMGEVVVDPBENR-ZETCQYMHSA-N 0 3 260.294 -1.736 20 0 CAADHN NC(=O)C(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CCCC1 ZINC001495939737 893498580 /nfs/dbraw/zinc/49/85/80/893498580.db2.gz OHTIBSJOSBKEJP-MRVPVSSYSA-N 0 3 296.327 -1.705 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001495989409 893499441 /nfs/dbraw/zinc/49/94/41/893499441.db2.gz MLPZNBYKOIZOAC-SSDOTTSWSA-N 0 3 287.320 -2.246 20 0 CAADHN COCC(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001495980863 893499627 /nfs/dbraw/zinc/49/96/27/893499627.db2.gz ONMGEVVVDPBENR-SSDOTTSWSA-N 0 3 260.294 -1.736 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C)CN[C@H](C)C(N)=O ZINC001496001952 893499701 /nfs/dbraw/zinc/49/97/01/893499701.db2.gz JCJDZDFACGJZDQ-DTWKUNHWSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001495973984 893499967 /nfs/dbraw/zinc/49/99/67/893499967.db2.gz INWAXGCVHYQFDR-JTQLQIEISA-N 0 3 284.360 -1.040 20 0 CAADHN C[C@H](CNCCF)N(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001496064012 893502143 /nfs/dbraw/zinc/50/21/43/893502143.db2.gz NKAQMGADKUEEJK-MRVPVSSYSA-N 0 3 286.311 -1.217 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CC(N)=O ZINC001496025194 893502461 /nfs/dbraw/zinc/50/24/61/893502461.db2.gz KCQWYSLVTUIQOM-YUMQZZPRSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001496082382 893502934 /nfs/dbraw/zinc/50/29/34/893502934.db2.gz ZCFBITYDZRWFPQ-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN C[C@@H](CNCCF)N(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001496064015 893503098 /nfs/dbraw/zinc/50/30/98/893503098.db2.gz NKAQMGADKUEEJK-QMMMGPOBSA-N 0 3 286.311 -1.217 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CCn1ccnn1 ZINC001496040735 893503561 /nfs/dbraw/zinc/50/35/61/893503561.db2.gz NRJNLMWQKJLGEJ-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cn(C)cn1 ZINC001496043351 893504610 /nfs/dbraw/zinc/50/46/10/893504610.db2.gz YWDGNHQOZPAYTA-MRVPVSSYSA-N 0 3 253.306 -1.045 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)N(C)C(=O)Cn1ncnn1 ZINC001496061443 893504714 /nfs/dbraw/zinc/50/47/14/893504714.db2.gz MYGXIRXRNYYUBU-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001496063208 893504812 /nfs/dbraw/zinc/50/48/12/893504812.db2.gz ZZTIMNRHUUEADG-RKDXNWHRSA-N 0 3 283.336 -1.756 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C)CN[C@@H](C)C(N)=O ZINC001496001953 893505192 /nfs/dbraw/zinc/50/51/92/893505192.db2.gz JCJDZDFACGJZDQ-IUCAKERBSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cn(C)nn1 ZINC001496051745 893505510 /nfs/dbraw/zinc/50/55/10/893505510.db2.gz QZQVUJFESPQJGL-SSDOTTSWSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cn(C)nn1 ZINC001496051746 893505603 /nfs/dbraw/zinc/50/56/03/893505603.db2.gz QZQVUJFESPQJGL-ZETCQYMHSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cncn1C ZINC001496106673 893506066 /nfs/dbraw/zinc/50/60/66/893506066.db2.gz ZWQMQDQMZGNKNM-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001496132542 893506108 /nfs/dbraw/zinc/50/61/08/893506108.db2.gz RAIKRAWMYBSUAK-ZETCQYMHSA-N 0 3 269.305 -1.339 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001496156960 893506238 /nfs/dbraw/zinc/50/62/38/893506238.db2.gz JBEGEESRMCVGFR-HRDYMLBCSA-N 0 3 286.332 -2.059 20 0 CAADHN C[C@@H](NC[C@@H](C)N(C)C(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001496143912 893506910 /nfs/dbraw/zinc/50/69/10/893506910.db2.gz KGBRFHDAABSWAD-HTQZYQBOSA-N 0 3 281.316 -1.306 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001496132540 893507107 /nfs/dbraw/zinc/50/71/07/893507107.db2.gz RAIKRAWMYBSUAK-SSDOTTSWSA-N 0 3 269.305 -1.339 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001496145441 893507241 /nfs/dbraw/zinc/50/72/41/893507241.db2.gz PTZHNIFQFZXKTC-SECBINFHSA-N 0 3 295.343 -1.092 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCS(C)(=O)=O ZINC001496091339 893507549 /nfs/dbraw/zinc/50/75/49/893507549.db2.gz BFIAVIJNUCZOOR-IUCAKERBSA-N 0 3 293.389 -1.269 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001496144060 893507805 /nfs/dbraw/zinc/50/78/05/893507805.db2.gz SOQQNHBFXMTEDP-RKDXNWHRSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001496110296 893507893 /nfs/dbraw/zinc/50/78/93/893507893.db2.gz IRKALMSNNXODMI-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H](COC)OC ZINC001496152769 893508831 /nfs/dbraw/zinc/50/88/31/893508831.db2.gz QDYBGBTYWZDSTP-UWVGGRQHSA-N 0 3 275.349 -1.170 20 0 CAADHN C[C@H](C(=O)N(C)[C@@H](C)CNCC(N)=O)S(C)(=O)=O ZINC001496093405 893508864 /nfs/dbraw/zinc/50/88/64/893508864.db2.gz HYGUAGJCWFFPFU-JGVFFNPUSA-N 0 3 279.362 -1.659 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001496144058 893509033 /nfs/dbraw/zinc/50/90/33/893509033.db2.gz SOQQNHBFXMTEDP-DTWKUNHWSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cn1ccnc1 ZINC001496245404 893511574 /nfs/dbraw/zinc/51/15/74/893511574.db2.gz UCKWXECZHPZCMU-VIFPVBQESA-N 0 3 296.331 -1.486 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)CCn1cnnn1 ZINC001496198413 893511791 /nfs/dbraw/zinc/51/17/91/893511791.db2.gz XKIONLFWINAPDZ-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)c1nc[n-]n1 ZINC001496187459 893511869 /nfs/dbraw/zinc/51/18/69/893511869.db2.gz XXSFUFCUOPAGBP-JGVFFNPUSA-N 0 3 294.315 -1.340 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](CNCC(N)=O)CC(C)C ZINC001496253158 893512897 /nfs/dbraw/zinc/51/28/97/893512897.db2.gz BVYHDXPXTBHWRU-SECBINFHSA-N 0 3 288.348 -1.052 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H](C)NC(N)=O ZINC001496267094 893513116 /nfs/dbraw/zinc/51/31/16/893513116.db2.gz BXSYNGRTZGUJLN-DTWKUNHWSA-N 0 3 287.364 -1.351 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCNC(N)=O ZINC001496227744 893513197 /nfs/dbraw/zinc/51/31/97/893513197.db2.gz VMWPGBDWILYHGD-SSDOTTSWSA-N 0 3 259.310 -2.033 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCNC(N)=O ZINC001496227749 893513472 /nfs/dbraw/zinc/51/34/72/893513472.db2.gz VMWPGBDWILYHGD-ZETCQYMHSA-N 0 3 259.310 -2.033 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCn1cnnn1 ZINC001496192406 893513809 /nfs/dbraw/zinc/51/38/09/893513809.db2.gz CIHPWZZUXJBNIR-BDAKNGLRSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cccnn1 ZINC001496193163 893514405 /nfs/dbraw/zinc/51/44/05/893514405.db2.gz FHKDESUSMQIQAE-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN Cc1nonc1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001496242648 893514757 /nfs/dbraw/zinc/51/47/57/893514757.db2.gz GHIDJNDRSBKCBI-ZCFIWIBFSA-N 0 3 255.278 -1.087 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H](C)[C@@H]1CNCC(N)=O ZINC001496469306 893519372 /nfs/dbraw/zinc/51/93/72/893519372.db2.gz WEXXUQPOWSPGIW-ZJUUUORDSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@@H]1CNCC(N)=O ZINC001496466017 893521272 /nfs/dbraw/zinc/52/12/72/893521272.db2.gz MTNSRBIDXGIXFD-VHSXEESVSA-N 0 3 295.347 -1.625 20 0 CAADHN C[C@@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNCC(N)=O ZINC001496481863 893521651 /nfs/dbraw/zinc/52/16/51/893521651.db2.gz XFYKRSXBKRAPNG-BDAKNGLRSA-N 0 3 295.347 -1.474 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)Cn1ncnn1)C(C)C ZINC001496560520 893523144 /nfs/dbraw/zinc/52/31/44/893523144.db2.gz DBOSBWICBCTWCY-VIFPVBQESA-N 0 3 283.336 -1.851 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCNC1=O)C(C)C ZINC001496590446 893523512 /nfs/dbraw/zinc/52/35/12/893523512.db2.gz PKTMCZVRXLDJEP-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN CC(C)[C@H](CNC(=O)C(N)=O)NCC(=O)NC1CC1 ZINC001496600092 893524017 /nfs/dbraw/zinc/52/40/17/893524017.db2.gz TXWMFVRLRLIGLL-VIFPVBQESA-N 0 3 270.333 -1.519 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(=O)NCC(F)F)NCC(N)=O ZINC001496576076 893524219 /nfs/dbraw/zinc/52/42/19/893524219.db2.gz TZNAXTHXNHQFRI-SSDOTTSWSA-N 0 3 294.302 -1.417 20 0 CAADHN CN(CCNC(=O)C(N)=O)C(=O)CN1CCCC1 ZINC001496492049 893525231 /nfs/dbraw/zinc/52/52/31/893525231.db2.gz WUZJEJCJORQCLL-UHFFFAOYSA-N 0 3 256.306 -1.858 20 0 CAADHN CN(CCC1CCN(C(=O)CC(N)=O)CC1)CC(N)=O ZINC001496495531 893525595 /nfs/dbraw/zinc/52/55/95/893525595.db2.gz HIVTYPAKLWCLDJ-UHFFFAOYSA-N 0 3 284.360 -1.092 20 0 CAADHN CC(C)[C@@H](CNC(=O)CS(C)(=O)=O)NCC(N)=O ZINC001496533138 893525779 /nfs/dbraw/zinc/52/57/79/893525779.db2.gz WUWTWEWYCILJCJ-MRVPVSSYSA-N 0 3 279.362 -1.753 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](NCC(N)=O)C(C)C ZINC001496530942 893525802 /nfs/dbraw/zinc/52/58/02/893525802.db2.gz CGPGFNIUSPAPJC-QMMMGPOBSA-N 0 3 274.321 -1.442 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)NCC(N)=O ZINC001496597060 893526190 /nfs/dbraw/zinc/52/61/90/893526190.db2.gz XDQBJTXXEFSHFT-NXEZZACHSA-N 0 3 284.360 -1.320 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(N)=O ZINC001496597823 893526403 /nfs/dbraw/zinc/52/64/03/893526403.db2.gz LOUKAPXNJYKNBT-NXEZZACHSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)NCC(N)=O ZINC001496597062 893526538 /nfs/dbraw/zinc/52/65/38/893526538.db2.gz XDQBJTXXEFSHFT-UWVGGRQHSA-N 0 3 284.360 -1.320 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@H]1CCNC1=O)C(C)C ZINC001496590448 893526603 /nfs/dbraw/zinc/52/66/03/893526603.db2.gz PKTMCZVRXLDJEP-QWRGUYRKSA-N 0 3 298.387 -1.011 20 0 CAADHN CN(CCOCCO)CCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001496769082 893528613 /nfs/dbraw/zinc/52/86/13/893528613.db2.gz FCTBXFSLWHPWDB-UHFFFAOYSA-N 0 3 298.343 -1.217 20 0 CAADHN CN(CCOCCO)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001496701250 893533598 /nfs/dbraw/zinc/53/35/98/893533598.db2.gz WRHNYKZMSULJRW-SNVBAGLBSA-N 0 3 289.332 -1.506 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001496846690 893534614 /nfs/dbraw/zinc/53/46/14/893534614.db2.gz KQSAKSMMYDQOQG-NXEZZACHSA-N 0 3 285.344 -1.190 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001496837681 893535134 /nfs/dbraw/zinc/53/51/34/893535134.db2.gz DSZDEXMXSWOWLJ-VHSXEESVSA-N 0 3 293.389 -1.551 20 0 CAADHN COCCC(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001496924120 893536330 /nfs/dbraw/zinc/53/63/30/893536330.db2.gz CLRVTDQTQVLWDB-NXEZZACHSA-N 0 3 273.333 -1.632 20 0 CAADHN CN(CCN(C)C(=O)CN1CCCC1)CC(=O)NC(N)=O ZINC001496835520 893537689 /nfs/dbraw/zinc/53/76/89/893537689.db2.gz LFGOBTDTMXWXQR-UHFFFAOYSA-N 0 3 299.375 -1.333 20 0 CAADHN CCCNC(=O)NC(=O)CNC[C@H](O)CNC(=O)CC ZINC001496922410 893538061 /nfs/dbraw/zinc/53/80/61/893538061.db2.gz ICXCDIWFYUIBIG-VIFPVBQESA-N 0 3 288.348 -1.301 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)cn1 ZINC001496935246 893540557 /nfs/dbraw/zinc/54/05/57/893540557.db2.gz BWDNUNYPSCYVMX-WDEREUQCSA-N 0 3 295.343 -1.669 20 0 CAADHN CC(C)CC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001496926803 893540892 /nfs/dbraw/zinc/54/08/92/893540892.db2.gz BZOLHCXNTLKFRF-UWVGGRQHSA-N 0 3 257.334 -1.012 20 0 CAADHN CCC(=O)NC[C@H](O)CNCC(=O)NC1CCOCC1 ZINC001496925931 893541585 /nfs/dbraw/zinc/54/15/85/893541585.db2.gz XIMOVXWKVJZOID-LLVKDONJSA-N 0 3 287.360 -1.242 20 0 CAADHN CC(C)CC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001496926805 893542014 /nfs/dbraw/zinc/54/20/14/893542014.db2.gz BZOLHCXNTLKFRF-ZJUUUORDSA-N 0 3 257.334 -1.012 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)CCOC ZINC001496926276 893542306 /nfs/dbraw/zinc/54/23/06/893542306.db2.gz ZIJCVDRDZJGVIK-QMMMGPOBSA-N 0 3 290.320 -2.455 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)C(C)(F)F)C1=O ZINC001496925768 893542775 /nfs/dbraw/zinc/54/27/75/893542775.db2.gz LQNSSRLETKBMQC-YUMQZZPRSA-N 0 3 279.287 -1.061 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cccnc1 ZINC001496927269 893543267 /nfs/dbraw/zinc/54/32/67/893543267.db2.gz HZXZRHYZOJTETG-MWLCHTKSSA-N 0 3 280.328 -1.104 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1CC1)NC(=O)NC1CC1 ZINC001496926427 893543975 /nfs/dbraw/zinc/54/39/75/893543975.db2.gz PHVLKLQVLLJXGI-SNVBAGLBSA-N 0 3 298.343 -1.549 20 0 CAADHN CCC(=O)NC[C@@H](O)CNCC(=O)NC1CCOCC1 ZINC001496925932 893544440 /nfs/dbraw/zinc/54/44/40/893544440.db2.gz XIMOVXWKVJZOID-NSHDSACASA-N 0 3 287.360 -1.242 20 0 CAADHN CC(F)(F)C(=O)NC[C@H](O)CNCCS(C)(=O)=O ZINC001496932543 893544532 /nfs/dbraw/zinc/54/45/32/893544532.db2.gz LCBIVLKKNXRONB-SSDOTTSWSA-N 0 3 288.316 -1.247 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cnns2)n[nH]1 ZINC001496943607 893545758 /nfs/dbraw/zinc/54/57/58/893545758.db2.gz FOPIGKOBGZDJKT-ZETCQYMHSA-N 0 3 297.344 -1.155 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1C=CCC1 ZINC001496940239 893546243 /nfs/dbraw/zinc/54/62/43/893546243.db2.gz USPAUHNYYZUXBF-ZJUUUORDSA-N 0 3 298.343 -1.396 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001496936449 893546272 /nfs/dbraw/zinc/54/62/72/893546272.db2.gz DESDMMOBLAHTKW-DTWKUNHWSA-N 0 3 297.319 -2.982 20 0 CAADHN CC[C@@H](F)CNC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001496940849 893546616 /nfs/dbraw/zinc/54/66/16/893546616.db2.gz XVMSZJJBJGCSBC-BDAKNGLRSA-N 0 3 274.300 -1.512 20 0 CAADHN CC(C)C(=O)NC[C@H](O)CNCCS(C)(=O)=O ZINC001496939486 893546763 /nfs/dbraw/zinc/54/67/63/893546763.db2.gz HCHAMRJAPBEZIY-SECBINFHSA-N 0 3 266.363 -1.246 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](O)CNCc1cncs1 ZINC001496938584 893547031 /nfs/dbraw/zinc/54/70/31/893547031.db2.gz MIIIIXLPXSWTET-MRVPVSSYSA-N 0 3 297.344 -1.604 20 0 CAADHN O=C(Cn1cccn1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001496938348 893547262 /nfs/dbraw/zinc/54/72/62/893547262.db2.gz VYPSSKNYQKZMNJ-MNOVXSKESA-N 0 3 295.343 -1.772 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001496940887 893547344 /nfs/dbraw/zinc/54/73/44/893547344.db2.gz YBGUIIHWYIRKBJ-SSDOTTSWSA-N 0 3 271.281 -3.514 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)Cn2cccn2)C1=O ZINC001496937930 893547423 /nfs/dbraw/zinc/54/74/23/893547423.db2.gz UNQZVGHYDPLRMN-GHMZBOCLSA-N 0 3 295.343 -1.820 20 0 CAADHN CC(C)C(=O)NC[C@H](O)CN[C@H]1CCC(=O)NC1=O ZINC001496940054 893547513 /nfs/dbraw/zinc/54/75/13/893547513.db2.gz KPKANYCNPLAHFE-BDAKNGLRSA-N 0 3 271.317 -1.486 20 0 CAADHN CC[C@H](F)CNC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001496940853 893548186 /nfs/dbraw/zinc/54/81/86/893548186.db2.gz XVMSZJJBJGCSBC-DTWKUNHWSA-N 0 3 274.300 -1.512 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)Cn2cnnn2)cn1 ZINC001496938466 893548614 /nfs/dbraw/zinc/54/86/14/893548614.db2.gz LLPKHJUGNVBQQZ-SNVBAGLBSA-N 0 3 294.319 -2.327 20 0 CAADHN CC(C)C(=O)NC[C@@H](O)CNCCS(C)(=O)=O ZINC001496939489 893549203 /nfs/dbraw/zinc/54/92/03/893549203.db2.gz HCHAMRJAPBEZIY-VIFPVBQESA-N 0 3 266.363 -1.246 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1C=CCC1 ZINC001496936532 893549347 /nfs/dbraw/zinc/54/93/47/893549347.db2.gz LTWXYYMFORIJDB-UWVGGRQHSA-N 0 3 255.318 -1.105 20 0 CAADHN O=C(NC[C@H](O)CNCc1ccccn1)[C@H]1CCC(=O)N1 ZINC001496949820 893550463 /nfs/dbraw/zinc/55/04/63/893550463.db2.gz LAZIYLPVPKTWQK-VXGBXAGGSA-N 0 3 292.339 -1.073 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1=O ZINC001496947292 893550664 /nfs/dbraw/zinc/55/06/64/893550664.db2.gz VDXNGPILFVVNKH-MWLCHTKSSA-N 0 3 295.343 -1.289 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)C2=COCCC2)C1=O ZINC001496948621 893550808 /nfs/dbraw/zinc/55/08/08/893550808.db2.gz DRXRTXYDJFGOHS-VXGBXAGGSA-N 0 3 297.355 -1.022 20 0 CAADHN C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1ccccc1[O-])C(N)=O ZINC001496947305 893551220 /nfs/dbraw/zinc/55/12/20/893551220.db2.gz VGOXEPUNERVTSQ-RKDXNWHRSA-N 0 3 281.312 -1.054 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cocn1)C(=O)N(C)C ZINC001496948173 893551565 /nfs/dbraw/zinc/55/15/65/893551565.db2.gz BYYXLTZQLXVHKA-IUCAKERBSA-N 0 3 284.316 -1.168 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001496944589 893551891 /nfs/dbraw/zinc/55/18/91/893551891.db2.gz PQJLPTUXQDMZDP-JGVFFNPUSA-N 0 3 288.304 -2.702 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)OC ZINC001496949789 893551992 /nfs/dbraw/zinc/55/19/92/893551992.db2.gz CDTGOLQJCDRSQL-HTQZYQBOSA-N 0 3 290.320 -2.456 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1=O ZINC001496947291 893552154 /nfs/dbraw/zinc/55/21/54/893552154.db2.gz VDXNGPILFVVNKH-KOLCDFICSA-N 0 3 295.343 -1.289 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccnn1C)C(N)=O ZINC001496947646 893552280 /nfs/dbraw/zinc/55/22/80/893552280.db2.gz ARTIEPNYUUKQNU-SFYZADRCSA-N 0 3 269.305 -2.026 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cccc(C)n1 ZINC001496946691 893552394 /nfs/dbraw/zinc/55/23/94/893552394.db2.gz SRSJEDWJHDICKN-SNVBAGLBSA-N 0 3 280.328 -1.184 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001496946107 893552626 /nfs/dbraw/zinc/55/26/26/893552626.db2.gz XVXMYTACOKEWEF-QMMMGPOBSA-N 0 3 290.320 -2.503 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnsn1)NC1CC1 ZINC001496944602 893552691 /nfs/dbraw/zinc/55/26/91/893552691.db2.gz PZSHCJSIBKHBLL-MRVPVSSYSA-N 0 3 299.356 -1.503 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CC(F)(F)F ZINC001496949145 893552802 /nfs/dbraw/zinc/55/28/02/893552802.db2.gz AUQHYVVOJKDOOM-YFKPBYRVSA-N 0 3 257.212 -1.509 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCOC1 ZINC001496947665 893553000 /nfs/dbraw/zinc/55/30/00/893553000.db2.gz ATEONGJDWOYHPL-MNOVXSKESA-N 0 3 287.360 -1.384 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cocn1)C(=O)N(C)C ZINC001496948166 893553162 /nfs/dbraw/zinc/55/31/62/893553162.db2.gz BYYXLTZQLXVHKA-BDAKNGLRSA-N 0 3 284.316 -1.168 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001496946977 893553249 /nfs/dbraw/zinc/55/32/49/893553249.db2.gz UOFKQROVGKNJKW-NXEZZACHSA-N 0 3 289.332 -2.443 20 0 CAADHN CC(C)SCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001496945427 893553353 /nfs/dbraw/zinc/55/33/53/893553353.db2.gz NMKLLTKXCWRRRV-QMMMGPOBSA-N 0 3 263.363 -1.320 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001496944591 893553440 /nfs/dbraw/zinc/55/34/40/893553440.db2.gz PQJLPTUXQDMZDP-YUMQZZPRSA-N 0 3 288.304 -2.702 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccn[nH]1)NCC1CC1 ZINC001496946612 893553736 /nfs/dbraw/zinc/55/37/36/893553736.db2.gz SBPMISVWHGUJNW-SNVBAGLBSA-N 0 3 295.343 -1.384 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001496946986 893553844 /nfs/dbraw/zinc/55/38/44/893553844.db2.gz UOFKQROVGKNJKW-UWVGGRQHSA-N 0 3 289.332 -2.443 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnsn1)NC1CC1 ZINC001496944603 893554178 /nfs/dbraw/zinc/55/41/78/893554178.db2.gz PZSHCJSIBKHBLL-QMMMGPOBSA-N 0 3 299.356 -1.503 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001496944590 893554749 /nfs/dbraw/zinc/55/47/49/893554749.db2.gz PQJLPTUXQDMZDP-SFYZADRCSA-N 0 3 288.304 -2.702 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001496945915 893554904 /nfs/dbraw/zinc/55/49/04/893554904.db2.gz PDFRHCPGBQLCKC-VIFPVBQESA-N 0 3 283.332 -1.385 20 0 CAADHN Cc1ncccc1CNC[C@@H](O)CNC(=O)CC(N)=O ZINC001496957809 893555376 /nfs/dbraw/zinc/55/53/76/893555376.db2.gz MZHWPPNGNMZLBZ-LLVKDONJSA-N 0 3 280.328 -1.168 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C(C)C ZINC001496954934 893555452 /nfs/dbraw/zinc/55/54/52/893555452.db2.gz XTQHXFQGEGCTEL-GHMZBOCLSA-N 0 3 289.376 -1.045 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CNCC(N)=O)nnn1C ZINC001496957646 893555483 /nfs/dbraw/zinc/55/54/83/893555483.db2.gz LHYYPWZTMDSOPE-SSDOTTSWSA-N 0 3 270.293 -2.711 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cc(C)nn1C)C(N)=O ZINC001496955144 893555777 /nfs/dbraw/zinc/55/57/77/893555777.db2.gz ZWYNXZJNGDYSRV-NXEZZACHSA-N 0 3 297.359 -1.327 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cocn1 ZINC001496950756 893555951 /nfs/dbraw/zinc/55/59/51/893555951.db2.gz QTGXDIBJJQRMFJ-VIFPVBQESA-N 0 3 284.316 -1.167 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cc(C)nn1C ZINC001496954625 893556322 /nfs/dbraw/zinc/55/63/22/893556322.db2.gz VXUFZXLUPSOOAY-UWVGGRQHSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccnn1C ZINC001496951350 893556434 /nfs/dbraw/zinc/55/64/34/893556434.db2.gz UTQGLYHOWGYIPZ-IUCAKERBSA-N 0 3 283.332 -1.765 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCOC1 ZINC001496957093 893557303 /nfs/dbraw/zinc/55/73/03/893557303.db2.gz GEIQFZIMQUMAAC-VHSXEESVSA-N 0 3 273.333 -1.774 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cocn1 ZINC001496950755 893557626 /nfs/dbraw/zinc/55/76/26/893557626.db2.gz QTGXDIBJJQRMFJ-SECBINFHSA-N 0 3 284.316 -1.167 20 0 CAADHN CCc1ocnc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001496957495 893557911 /nfs/dbraw/zinc/55/79/11/893557911.db2.gz JGPDWJQMJIDZRK-SFYZADRCSA-N 0 3 284.316 -1.209 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2ccnn2C)n[nH]1 ZINC001496951299 893558114 /nfs/dbraw/zinc/55/81/14/893558114.db2.gz UCZMXKJKMIXWOI-SECBINFHSA-N 0 3 293.331 -1.273 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCOC1 ZINC001496957092 893558184 /nfs/dbraw/zinc/55/81/84/893558184.db2.gz GEIQFZIMQUMAAC-UWVGGRQHSA-N 0 3 273.333 -1.774 20 0 CAADHN CCc1ocnc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001496957494 893558213 /nfs/dbraw/zinc/55/82/13/893558213.db2.gz JGPDWJQMJIDZRK-JGVFFNPUSA-N 0 3 284.316 -1.209 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CNCC(=O)NC(C)C)[nH]1 ZINC001496954841 893558827 /nfs/dbraw/zinc/55/88/27/893558827.db2.gz KHMIVGLAIIUKFX-SNVBAGLBSA-N 0 3 297.359 -1.077 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)C(=O)C(C)(C)C ZINC001496954179 893558786 /nfs/dbraw/zinc/55/87/86/893558786.db2.gz FOAVAJLJFJMCPZ-VIFPVBQESA-N 0 3 287.360 -1.244 20 0 CAADHN CCc1ocnc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001496957493 893559158 /nfs/dbraw/zinc/55/91/58/893559158.db2.gz JGPDWJQMJIDZRK-HTQZYQBOSA-N 0 3 284.316 -1.209 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C(C)C ZINC001496954935 893559246 /nfs/dbraw/zinc/55/92/46/893559246.db2.gz XTQHXFQGEGCTEL-MNOVXSKESA-N 0 3 289.376 -1.045 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C(=O)C(C)(C)C ZINC001496953742 893559303 /nfs/dbraw/zinc/55/93/03/893559303.db2.gz BTVFRHOGKARDAS-QMMMGPOBSA-N 0 3 273.333 -1.586 20 0 CAADHN O=C(NC[C@H](O)CNCc1cncs1)[C@H]1CCC(=O)N1 ZINC001496955620 893559706 /nfs/dbraw/zinc/55/97/06/893559706.db2.gz RHBAKKUTCOWNIK-PSASIEDQSA-N 0 3 298.368 -1.012 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cncs1)[C@H]1CCC(=O)N1 ZINC001496955621 893559932 /nfs/dbraw/zinc/55/99/32/893559932.db2.gz RHBAKKUTCOWNIK-WCBMZHEXSA-N 0 3 298.368 -1.012 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CC1OCCCO1 ZINC001496968194 893560503 /nfs/dbraw/zinc/56/05/03/893560503.db2.gz KIZBSWNYAJZQGF-QMMMGPOBSA-N 0 3 275.305 -2.309 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccnn1CC)C(N)=O ZINC001496969066 893560447 /nfs/dbraw/zinc/56/04/47/893560447.db2.gz QFYRTASTBOGDLY-UWVGGRQHSA-N 0 3 297.359 -1.153 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001496961407 893560550 /nfs/dbraw/zinc/56/05/50/893560550.db2.gz OQMLWTBFKWOTPD-WYOJIJJFSA-N 0 3 298.343 -1.706 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001496957980 893560577 /nfs/dbraw/zinc/56/05/77/893560577.db2.gz ORRNHMFNEUDKKL-WPRPVWTQSA-N 0 3 283.332 -1.847 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccnn1CC)C(N)=O ZINC001496969068 893560652 /nfs/dbraw/zinc/56/06/52/893560652.db2.gz QFYRTASTBOGDLY-ZJUUUORDSA-N 0 3 297.359 -1.153 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cncnc1)C(=O)N(C)C ZINC001496969539 893560715 /nfs/dbraw/zinc/56/07/15/893560715.db2.gz RUBPAKPAOZQLCV-GXSJLCMTSA-N 0 3 295.343 -1.366 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O)C1=CCCC1 ZINC001496963787 893560759 /nfs/dbraw/zinc/56/07/59/893560759.db2.gz KPVLQZXPPZHVKC-GHMZBOCLSA-N 0 3 295.339 -1.031 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCC(=O)NC1=O)C1=CCCC1 ZINC001496963789 893561595 /nfs/dbraw/zinc/56/15/95/893561595.db2.gz KPVLQZXPPZHVKC-QWRGUYRKSA-N 0 3 295.339 -1.031 20 0 CAADHN C/C=C(/C)C(=O)NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O ZINC001496965776 893561680 /nfs/dbraw/zinc/56/16/80/893561680.db2.gz HLJSYLGRDCOKSF-HJBJALMNSA-N 0 3 283.328 -1.176 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)Cc2ccon2)C1=O ZINC001496958191 893561747 /nfs/dbraw/zinc/56/17/47/893561747.db2.gz OSQHCBAASMUQTI-MNOVXSKESA-N 0 3 296.327 -1.486 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cncnc1 ZINC001496968050 893561943 /nfs/dbraw/zinc/56/19/43/893561943.db2.gz HRMGQPDTQPHGFS-VIFPVBQESA-N 0 3 267.289 -2.097 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001496957979 893562178 /nfs/dbraw/zinc/56/21/78/893562178.db2.gz ORRNHMFNEUDKKL-WCBMZHEXSA-N 0 3 283.332 -1.847 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CC(N)=O)C(=O)NC1CC1 ZINC001496958207 893562256 /nfs/dbraw/zinc/56/22/56/893562256.db2.gz OZPOFPNKNQRUDH-APPZFPTMSA-N 0 3 286.332 -2.404 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CC[C@@H]1CCOC1 ZINC001496967767 893562419 /nfs/dbraw/zinc/56/24/19/893562419.db2.gz YYGLSRMPMAVAEX-GHMZBOCLSA-N 0 3 287.360 -1.384 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001496961987 893562972 /nfs/dbraw/zinc/56/29/72/893562972.db2.gz SRVVDECVMOWDRF-DTWKUNHWSA-N 0 3 282.300 -1.448 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cncnc1)C(=O)N(C)C ZINC001496969542 893563096 /nfs/dbraw/zinc/56/30/96/893563096.db2.gz RUBPAKPAOZQLCV-ONGXEEELSA-N 0 3 295.343 -1.366 20 0 CAADHN CCn1ccnc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001496969697 893563153 /nfs/dbraw/zinc/56/31/53/893563153.db2.gz HEPXJWABJTZWRE-MRVPVSSYSA-N 0 3 269.305 -1.931 20 0 CAADHN O=C(Cc1cccnc1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001496963647 893563623 /nfs/dbraw/zinc/56/36/23/893563623.db2.gz JOZOTUNLNYNZTL-NEPJUHHUSA-N 0 3 292.339 -1.421 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)C1CC1 ZINC001496961101 893563814 /nfs/dbraw/zinc/56/38/14/893563814.db2.gz MIFZQEIWOJYOHA-WCBMZHEXSA-N 0 3 257.334 -1.155 20 0 CAADHN O=C(Cc1cccnc1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001496963649 893564150 /nfs/dbraw/zinc/56/41/50/893564150.db2.gz JOZOTUNLNYNZTL-RYUDHWBXSA-N 0 3 292.339 -1.421 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001496961989 893564723 /nfs/dbraw/zinc/56/47/23/893564723.db2.gz SRVVDECVMOWDRF-IUCAKERBSA-N 0 3 282.300 -1.448 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001496976037 893565531 /nfs/dbraw/zinc/56/55/31/893565531.db2.gz LASZFZIGXMJXJI-NXEZZACHSA-N 0 3 297.315 -1.905 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)n1 ZINC001496976845 893565649 /nfs/dbraw/zinc/56/56/49/893565649.db2.gz HCZZRTLTMJVTDC-DTWKUNHWSA-N 0 3 296.331 -2.226 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)CC1(O)CCC1)C(N)=O ZINC001496978840 893565746 /nfs/dbraw/zinc/56/57/46/893565746.db2.gz APURESIQPXGCLD-NXEZZACHSA-N 0 3 287.360 -1.378 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001496977619 893566355 /nfs/dbraw/zinc/56/63/55/893566355.db2.gz PEGKUOMQVQWFFU-JGVFFNPUSA-N 0 3 284.320 -2.148 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ncn(C)n1)C(N)=O ZINC001496976805 893566702 /nfs/dbraw/zinc/56/67/02/893566702.db2.gz GTXISEIYEYSTMG-SFYZADRCSA-N 0 3 284.320 -2.241 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnnn1C ZINC001496973957 893567707 /nfs/dbraw/zinc/56/77/07/893567707.db2.gz AAGMUYQFLXMGDK-ZETCQYMHSA-N 0 3 270.293 -2.759 20 0 CAADHN CS(=O)(=O)CCNC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001496977031 893567859 /nfs/dbraw/zinc/56/78/59/893567859.db2.gz JDLNOUPEYLVDNP-MRVPVSSYSA-N 0 3 290.345 -1.865 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001496977621 893568050 /nfs/dbraw/zinc/56/80/50/893568050.db2.gz PEGKUOMQVQWFFU-YUMQZZPRSA-N 0 3 284.320 -2.148 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)CC1(O)CCC1)C(N)=O ZINC001496978842 893568100 /nfs/dbraw/zinc/56/81/00/893568100.db2.gz APURESIQPXGCLD-VHSXEESVSA-N 0 3 287.360 -1.378 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)c1N ZINC001496970883 893568257 /nfs/dbraw/zinc/56/82/57/893568257.db2.gz ZGUNDDNOUXSRBP-MRVPVSSYSA-N 0 3 298.347 -2.229 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001496977620 893569635 /nfs/dbraw/zinc/56/96/35/893569635.db2.gz PEGKUOMQVQWFFU-SFYZADRCSA-N 0 3 284.320 -2.148 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001496987784 893570558 /nfs/dbraw/zinc/57/05/58/893570558.db2.gz YWFSHUPYNWDEIT-PSASIEDQSA-N 0 3 283.332 -2.097 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(N)=O)cc(C)n1 ZINC001496987573 893570605 /nfs/dbraw/zinc/57/06/05/893570605.db2.gz UANMRZBDGZOHIH-LLVKDONJSA-N 0 3 280.328 -1.136 20 0 CAADHN CC(C)(C)c1nc[nH]c1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001496979552 893571089 /nfs/dbraw/zinc/57/10/89/893571089.db2.gz SHZHKKUDKPLMNX-QMMMGPOBSA-N 0 3 297.359 -1.127 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](O)CNC/C=C/Cl ZINC001496979664 893572058 /nfs/dbraw/zinc/57/20/58/893572058.db2.gz BIZJZAWGCNFQBM-CMLYIYFCSA-N 0 3 274.712 -1.508 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cc[nH]c1)C(N)=O ZINC001496986816 893572391 /nfs/dbraw/zinc/57/23/91/893572391.db2.gz XBCCJXOMGGFFQM-NXEZZACHSA-N 0 3 268.317 -1.041 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001496983727 893573020 /nfs/dbraw/zinc/57/30/20/893573020.db2.gz PJZRCGTVOUAPAJ-QMMMGPOBSA-N 0 3 285.308 -3.124 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001496987787 893573113 /nfs/dbraw/zinc/57/31/13/893573113.db2.gz YWFSHUPYNWDEIT-WCBMZHEXSA-N 0 3 283.332 -2.097 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1(F)CCOCC1)C(N)=O ZINC001496991270 893575391 /nfs/dbraw/zinc/57/53/91/893575391.db2.gz QBZKGSFDQIHWQU-RKDXNWHRSA-N 0 3 291.323 -1.554 20 0 CAADHN CCCc1n[nH]cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497005193 893575477 /nfs/dbraw/zinc/57/54/77/893575477.db2.gz MBJLXGSXCOAKJR-QMMMGPOBSA-N 0 3 283.332 -1.472 20 0 CAADHN CCc1cccnc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001497005391 893575632 /nfs/dbraw/zinc/57/56/32/893575632.db2.gz NHQSLHQSYMEVAD-SNVBAGLBSA-N 0 3 280.328 -1.190 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1(F)CCOCC1)C(N)=O ZINC001496991269 893576320 /nfs/dbraw/zinc/57/63/20/893576320.db2.gz QBZKGSFDQIHWQU-IUCAKERBSA-N 0 3 291.323 -1.554 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1ccn(C)n1 ZINC001496993849 893576374 /nfs/dbraw/zinc/57/63/74/893576374.db2.gz UKIBMXAUSCSNAM-NSHDSACASA-N 0 3 297.359 -1.835 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NC[C@H](O)CNCCF ZINC001496998417 893577175 /nfs/dbraw/zinc/57/71/75/893577175.db2.gz YUZPCDOSGYFXHN-DTWKUNHWSA-N 0 3 261.297 -1.451 20 0 CAADHN CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001497004276 893577249 /nfs/dbraw/zinc/57/72/49/893577249.db2.gz VZUQVDZJZOIITQ-IUCAKERBSA-N 0 3 284.316 -1.103 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001496999668 893577342 /nfs/dbraw/zinc/57/73/42/893577342.db2.gz XLXQMEADSFNNCL-IVZWLZJFSA-N 0 3 295.343 -1.674 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1c(C)ncn1C ZINC001496996761 893577399 /nfs/dbraw/zinc/57/73/99/893577399.db2.gz ZMCXBJYSQHRWFQ-NXEZZACHSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001496999669 893577452 /nfs/dbraw/zinc/57/74/52/893577452.db2.gz XLXQMEADSFNNCL-OPRDCNLKSA-N 0 3 295.343 -1.674 20 0 CAADHN CC(C)c1nocc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001496991172 893578378 /nfs/dbraw/zinc/57/83/78/893578378.db2.gz PTBKUBQUIASALR-MRVPVSSYSA-N 0 3 284.316 -1.036 20 0 CAADHN O=C(NC[C@@H](O)C[NH2+]CCO)c1cc(=O)[n-]c(C2CC2)n1 ZINC001496993001 893578677 /nfs/dbraw/zinc/57/86/77/893578677.db2.gz JAFDAFNSJMQBIY-VIFPVBQESA-N 0 3 296.327 -1.268 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001496999178 893578774 /nfs/dbraw/zinc/57/87/74/893578774.db2.gz SYKSMDOFZLHUKU-HTQZYQBOSA-N 0 3 297.315 -2.666 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccnnc1C ZINC001497009509 893579606 /nfs/dbraw/zinc/57/96/06/893579606.db2.gz UDBVLVUGHPCPBI-ZJUUUORDSA-N 0 3 295.343 -1.400 20 0 CAADHN CC(F)(F)CCC(=O)NC[C@H](O)CNCC(N)=O ZINC001497009233 893580020 /nfs/dbraw/zinc/58/00/20/893580020.db2.gz GMLRJQNUPAXZPW-SSDOTTSWSA-N 0 3 267.276 -1.026 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cccc2nccn21 ZINC001497018312 893580705 /nfs/dbraw/zinc/58/07/05/893580705.db2.gz ROBYTVFTEIQYMD-VIFPVBQESA-N 0 3 291.311 -1.500 20 0 CAADHN CCc1c(C(=O)NC[C@@H](O)CNCC(N)=O)cnn1C ZINC001497008646 893581454 /nfs/dbraw/zinc/58/14/54/893581454.db2.gz KFUDEISYQABHER-QMMMGPOBSA-N 0 3 283.332 -1.852 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccnnc1C ZINC001497009506 893582156 /nfs/dbraw/zinc/58/21/56/893582156.db2.gz UDBVLVUGHPCPBI-UWVGGRQHSA-N 0 3 295.343 -1.400 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001497017445 893582377 /nfs/dbraw/zinc/58/23/77/893582377.db2.gz JCICYSKETWQAEM-WDMOLILDSA-N 0 3 299.371 -1.242 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001497012029 893582417 /nfs/dbraw/zinc/58/24/17/893582417.db2.gz GYTICIZZLJCYSC-JQWIXIFHSA-N 0 3 293.323 -1.458 20 0 CAADHN CN(C)c1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001497006338 893582787 /nfs/dbraw/zinc/58/27/87/893582787.db2.gz RFQRBFCDZPMCRG-JTQLQIEISA-N 0 3 295.343 -1.687 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C ZINC001497034713 893583927 /nfs/dbraw/zinc/58/39/27/893583927.db2.gz YPBZVPUYTPKUEI-JTQLQIEISA-N 0 3 293.331 -1.273 20 0 CAADHN O=C(NC[C@H](O)CNCc1ccns1)[C@H]1CCNC1=O ZINC001497034584 893584234 /nfs/dbraw/zinc/58/42/34/893584234.db2.gz QCGSQCYGSCDLSS-SCZZXKLOSA-N 0 3 298.368 -1.154 20 0 CAADHN Cc1ccn([C@H](C)CC(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001497031730 893584267 /nfs/dbraw/zinc/58/42/67/893584267.db2.gz FBQGLMQJZXCCDH-GHMZBOCLSA-N 0 3 297.359 -1.305 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCNC1=O)NC1CC1 ZINC001497034194 893584408 /nfs/dbraw/zinc/58/44/08/893584408.db2.gz ODUKBXDXLQNOBH-VHSXEESVSA-N 0 3 298.343 -2.532 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001497033119 893584973 /nfs/dbraw/zinc/58/49/73/893584973.db2.gz IFOVKAMUHZMPSZ-QWRGUYRKSA-N 0 3 295.343 -1.877 20 0 CAADHN CC[C@@H](F)CNC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001497033936 893585261 /nfs/dbraw/zinc/58/52/61/893585261.db2.gz UJFLJWNPFQFDAA-HTQZYQBOSA-N 0 3 274.300 -1.362 20 0 CAADHN COc1ccc(F)cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497028380 893585371 /nfs/dbraw/zinc/58/53/71/893585371.db2.gz JKKSQJYVWIORNW-VIFPVBQESA-N 0 3 299.302 -1.000 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CNCc2ccccn2)n1 ZINC001497031591 893585396 /nfs/dbraw/zinc/58/53/96/893585396.db2.gz DVYHJSLIXQENHC-SNVBAGLBSA-N 0 3 291.315 -1.514 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)nc1OC ZINC001497033976 893586131 /nfs/dbraw/zinc/58/61/31/893586131.db2.gz VPLSPONIWBRGMM-MRVPVSSYSA-N 0 3 299.331 -2.145 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCNC1=O)NC1CC1 ZINC001497034195 893586156 /nfs/dbraw/zinc/58/61/56/893586156.db2.gz ODUKBXDXLQNOBH-ZJUUUORDSA-N 0 3 298.343 -2.532 20 0 CAADHN O=C(NC[C@@H](O)CNCc1ccns1)[C@@H]1CCNC1=O ZINC001497034586 893586467 /nfs/dbraw/zinc/58/64/67/893586467.db2.gz QCGSQCYGSCDLSS-WCBMZHEXSA-N 0 3 298.368 -1.154 20 0 CAADHN CC[C@H](F)CNC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001497033945 893586499 /nfs/dbraw/zinc/58/64/99/893586499.db2.gz UJFLJWNPFQFDAA-YUMQZZPRSA-N 0 3 274.300 -1.362 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001497031439 893586519 /nfs/dbraw/zinc/58/65/19/893586519.db2.gz DFCWIHOZHSQJJO-DTWKUNHWSA-N 0 3 283.332 -1.717 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)C(N)=O ZINC001497046079 893587984 /nfs/dbraw/zinc/58/79/84/893587984.db2.gz HHUCQXBTOHSYOX-QMMMGPOBSA-N 0 3 255.278 -2.528 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001497036503 893588085 /nfs/dbraw/zinc/58/80/85/893588085.db2.gz HBKCSKVBURCJGL-QUARPLMYSA-N 0 3 285.344 -1.791 20 0 CAADHN CN1CCC[C@@H](NC[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001497047230 893588137 /nfs/dbraw/zinc/58/81/37/893588137.db2.gz MVLPGSCIFSFMDE-JGVFFNPUSA-N 0 3 272.305 -2.841 20 0 CAADHN CC1(C)CC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497038421 893588188 /nfs/dbraw/zinc/58/81/88/893588188.db2.gz SPQROJLKSSXRHV-DTWKUNHWSA-N 0 3 257.334 -1.025 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001497036501 893588580 /nfs/dbraw/zinc/58/85/80/893588580.db2.gz HBKCSKVBURCJGL-NZFPMDFQSA-N 0 3 285.344 -1.791 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)C(N)=O ZINC001497046745 893589080 /nfs/dbraw/zinc/58/90/80/893589080.db2.gz KRPOCRJKUWPSCP-SSDOTTSWSA-N 0 3 260.294 -2.935 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001497035774 893589185 /nfs/dbraw/zinc/58/91/85/893589185.db2.gz AXQFMJJLAJEHIV-GCHJQGSQSA-N 0 3 297.355 -1.824 20 0 CAADHN Cc1ccoc1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001497045710 893589377 /nfs/dbraw/zinc/58/93/77/893589377.db2.gz HZTPUSJEBDNJLF-VIFPVBQESA-N 0 3 269.301 -1.317 20 0 CAADHN CN1CCC[C@H](NC[C@@H](O)CNC(=O)C(N)=O)C1=O ZINC001497047233 893589763 /nfs/dbraw/zinc/58/97/63/893589763.db2.gz MVLPGSCIFSFMDE-SFYZADRCSA-N 0 3 272.305 -2.841 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001497037075 893590040 /nfs/dbraw/zinc/59/00/40/893590040.db2.gz KCPQARPAUBQQRC-MEWQQHAOSA-N 0 3 299.371 -1.576 20 0 CAADHN CCc1ncoc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001497044983 893590093 /nfs/dbraw/zinc/59/00/93/893590093.db2.gz DFGTVZFSSQECTL-SFYZADRCSA-N 0 3 284.316 -1.209 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)C(N)=O ZINC001497046753 893590783 /nfs/dbraw/zinc/59/07/83/893590783.db2.gz KRPOCRJKUWPSCP-ZETCQYMHSA-N 0 3 260.294 -2.935 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1csc(=O)[nH]1)C(N)=O ZINC001497036256 893591056 /nfs/dbraw/zinc/59/10/56/893591056.db2.gz FJNKOGURQGNHDE-PHDIDXHHSA-N 0 3 288.329 -1.597 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)Cc1cnoc1)NC1CC1 ZINC001497040022 893591276 /nfs/dbraw/zinc/59/12/76/893591276.db2.gz KPGBQWCWVXEDTQ-LLVKDONJSA-N 0 3 296.327 -1.438 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1nccn2ccnc12 ZINC001497058084 893592136 /nfs/dbraw/zinc/59/21/36/893592136.db2.gz NROSLJZYLKTXEY-QMMMGPOBSA-N 0 3 292.299 -2.105 20 0 CAADHN CS(=O)(=O)CCNC[C@@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001497061242 893592339 /nfs/dbraw/zinc/59/23/39/893592339.db2.gz FYVPCNGEDUJKFM-NXEZZACHSA-N 0 3 290.385 -1.102 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1cc(C)on1 ZINC001497054738 893592398 /nfs/dbraw/zinc/59/23/98/893592398.db2.gz RJCUYPAVJJHQSK-LLVKDONJSA-N 0 3 298.343 -1.272 20 0 CAADHN CN(CC1CC1)C(=O)CNC[C@H](O)CNC(=O)C(N)=O ZINC001497050773 893592828 /nfs/dbraw/zinc/59/28/28/893592828.db2.gz ZZTXAQAJEUUMJK-VIFPVBQESA-N 0 3 286.332 -2.593 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1conc1C)C(N)=O ZINC001497049154 893592863 /nfs/dbraw/zinc/59/28/63/893592863.db2.gz SIYQZCZRMFYHMH-WCBMZHEXSA-N 0 3 284.316 -1.073 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1nccn2ccnc12 ZINC001497058073 893592891 /nfs/dbraw/zinc/59/28/91/893592891.db2.gz NROSLJZYLKTXEY-MRVPVSSYSA-N 0 3 292.299 -2.105 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@@H](O)CNCCF)[nH]1 ZINC001497058095 893592912 /nfs/dbraw/zinc/59/29/12/893592912.db2.gz NTDZXCIGEYTBDK-ZETCQYMHSA-N 0 3 272.280 -1.237 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001497061338 893593620 /nfs/dbraw/zinc/59/36/20/893593620.db2.gz GIQYREYOQFKLEG-ZJUUUORDSA-N 0 3 269.345 -1.011 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001497062123 893593668 /nfs/dbraw/zinc/59/36/68/893593668.db2.gz DNRVIJHBSQNODE-GFCCVEGCSA-N 0 3 292.343 -1.047 20 0 CAADHN CS(=O)(=O)CCNC[C@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001497061252 893593803 /nfs/dbraw/zinc/59/38/03/893593803.db2.gz FYVPCNGEDUJKFM-VHSXEESVSA-N 0 3 290.385 -1.102 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001497061335 893594411 /nfs/dbraw/zinc/59/44/11/893594411.db2.gz GIQYREYOQFKLEG-VHSXEESVSA-N 0 3 269.345 -1.011 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1conc1C)C(N)=O ZINC001497049155 893594666 /nfs/dbraw/zinc/59/46/66/893594666.db2.gz SIYQZCZRMFYHMH-WPRPVWTQSA-N 0 3 284.316 -1.073 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)CNCCF)C1 ZINC001497058862 893594911 /nfs/dbraw/zinc/59/49/11/893594911.db2.gz SHEWAABTMFTNTK-KXUCPTDWSA-N 0 3 275.324 -1.076 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCOC1 ZINC001497049697 893595108 /nfs/dbraw/zinc/59/51/08/893595108.db2.gz YHEYCMXPUYRNPK-RKDXNWHRSA-N 0 3 259.306 -2.035 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cn1 ZINC001497057121 893595197 /nfs/dbraw/zinc/59/51/97/893595197.db2.gz GQCYGHWBZZMEOS-AXFHLTTASA-N 0 3 295.343 -1.892 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001497065227 893596602 /nfs/dbraw/zinc/59/66/02/893596602.db2.gz TUIQNDUEJHMXPK-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccc2c(c1)COC2 ZINC001497069673 893596640 /nfs/dbraw/zinc/59/66/40/893596640.db2.gz BPXRTDXNSOYLSF-LBPRGKRZSA-N 0 3 293.323 -1.118 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)COc1cccnc1 ZINC001497075931 893596793 /nfs/dbraw/zinc/59/67/93/893596793.db2.gz LYPWGHUSACFZRN-SECBINFHSA-N 0 3 282.300 -1.988 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccnnc1)C(N)=O ZINC001497064281 893596860 /nfs/dbraw/zinc/59/68/60/893596860.db2.gz SJCFBXVNMFKVQX-CBAPKCEASA-N 0 3 267.289 -1.969 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001497064884 893597486 /nfs/dbraw/zinc/59/74/86/893597486.db2.gz RKUPCJSFIFMYBK-LLVKDONJSA-N 0 3 295.343 -1.749 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccncn1 ZINC001497077087 893597506 /nfs/dbraw/zinc/59/75/06/893597506.db2.gz CRJRYONNBQADHU-VIFPVBQESA-N 0 3 281.316 -1.707 20 0 CAADHN C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](O)CNCC(N)=O ZINC001497067396 893597777 /nfs/dbraw/zinc/59/77/77/893597777.db2.gz GBXOYFASNAXWEO-WCBMZHEXSA-N 0 3 283.332 -1.860 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cccnn1)C(N)=O ZINC001497076499 893597805 /nfs/dbraw/zinc/59/78/05/893597805.db2.gz AUNAINBUTGGTQO-BDAKNGLRSA-N 0 3 281.316 -1.579 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1nc(C)c[nH]1)C(N)=O ZINC001497067112 893597840 /nfs/dbraw/zinc/59/78/40/893597840.db2.gz DOJHXFXWXPCAMP-IUCAKERBSA-N 0 3 283.332 -1.338 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001497070932 893597852 /nfs/dbraw/zinc/59/78/52/893597852.db2.gz QLYJVNSIYMPEAA-MRVPVSSYSA-N 0 3 284.320 -2.369 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001497064618 893598026 /nfs/dbraw/zinc/59/80/26/893598026.db2.gz PPZWMSQOYHOTKU-VHSXEESVSA-N 0 3 283.332 -1.868 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001497071899 893598715 /nfs/dbraw/zinc/59/87/15/893598715.db2.gz ZOYKIIBKGBDGPM-SECBINFHSA-N 0 3 298.347 -1.980 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cccnn1 ZINC001497077531 893598863 /nfs/dbraw/zinc/59/88/63/893598863.db2.gz FYINNGHLFATOFZ-IUCAKERBSA-N 0 3 279.300 -1.955 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)n1 ZINC001497066944 893599584 /nfs/dbraw/zinc/59/95/84/893599584.db2.gz AZYIXJVPYZVDFO-VHSXEESVSA-N 0 3 295.343 -1.323 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)n1 ZINC001497066943 893599689 /nfs/dbraw/zinc/59/96/89/893599689.db2.gz AZYIXJVPYZVDFO-UWVGGRQHSA-N 0 3 295.343 -1.323 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1ccco1 ZINC001497079537 893601117 /nfs/dbraw/zinc/60/11/17/893601117.db2.gz YPHMXBGCSSHUQO-VIFPVBQESA-N 0 3 269.301 -1.365 20 0 CAADHN C[C@@H](CC(=O)NC[C@H](O)CNCC(N)=O)n1cccn1 ZINC001497090848 893601246 /nfs/dbraw/zinc/60/12/46/893601246.db2.gz LSEATYVGYGZULC-VHSXEESVSA-N 0 3 283.332 -1.614 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)Cc2ncc[nH]2)C1=O ZINC001497082032 893601820 /nfs/dbraw/zinc/60/18/20/893601820.db2.gz VJNIHIQOSFTVAT-VHSXEESVSA-N 0 3 295.343 -1.750 20 0 CAADHN CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001497090862 893602064 /nfs/dbraw/zinc/60/20/64/893602064.db2.gz LZIJSFSRMSORMU-SECBINFHSA-N 0 3 298.347 -2.108 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnon1 ZINC001497077889 893602214 /nfs/dbraw/zinc/60/22/14/893602214.db2.gz HCSNUKPCSVRQHT-BQBZGAKWSA-N 0 3 271.277 -2.116 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)C1=O ZINC001497082030 893602265 /nfs/dbraw/zinc/60/22/65/893602265.db2.gz VJNIHIQOSFTVAT-NXEZZACHSA-N 0 3 295.343 -1.750 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccco1 ZINC001497079536 893602444 /nfs/dbraw/zinc/60/24/44/893602444.db2.gz YPHMXBGCSSHUQO-SECBINFHSA-N 0 3 269.301 -1.365 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ncccn1 ZINC001497078986 893602509 /nfs/dbraw/zinc/60/25/09/893602509.db2.gz TWECSBZRRGXNHD-MRVPVSSYSA-N 0 3 267.289 -2.097 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCn1cnnn1 ZINC001497079868 893602567 /nfs/dbraw/zinc/60/25/67/893602567.db2.gz GVGOGSXSZSQAEO-MRVPVSSYSA-N 0 3 285.308 -3.124 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCn1cnccc1=O ZINC001497080131 893602610 /nfs/dbraw/zinc/60/26/10/893602610.db2.gz HCOBRFBOIUZILH-SECBINFHSA-N 0 3 297.315 -2.815 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001497079815 893602631 /nfs/dbraw/zinc/60/26/31/893602631.db2.gz GASIRIWRPXJHFT-VIFPVBQESA-N 0 3 283.332 -1.893 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1ccc(F)cc1 ZINC001497103951 893604189 /nfs/dbraw/zinc/60/41/89/893604189.db2.gz JWEQYSIBUXXRQR-LLVKDONJSA-N 0 3 283.303 -1.080 20 0 CAADHN Cc1c[nH]cc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001497113705 893604527 /nfs/dbraw/zinc/60/45/27/893604527.db2.gz MADGPYQGFCCMQT-BDAKNGLRSA-N 0 3 268.317 -1.123 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1cncn1C)C(N)=O ZINC001497103411 893604726 /nfs/dbraw/zinc/60/47/26/893604726.db2.gz COYYMDIQFGUEFU-GXSJLCMTSA-N 0 3 297.359 -1.707 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccc(C)nc1 ZINC001497111073 893604919 /nfs/dbraw/zinc/60/49/19/893604919.db2.gz OSUHVQCRBMABSQ-GFCCVEGCSA-N 0 3 294.355 -1.255 20 0 CAADHN Cc1c[nH]cc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001497113963 893604937 /nfs/dbraw/zinc/60/49/37/893604937.db2.gz NFAISLBHIPDANW-GXSJLCMTSA-N 0 3 280.328 -1.108 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](O)CNCC(N)=O)CCC1 ZINC001497095330 893605100 /nfs/dbraw/zinc/60/51/00/893605100.db2.gz KNBACTPCOOIKKV-MRVPVSSYSA-N 0 3 286.332 -2.545 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cn1ccccc1=O)C(N)=O ZINC001497112286 893605223 /nfs/dbraw/zinc/60/52/23/893605223.db2.gz DZPZXZHHONHWHA-VHSXEESVSA-N 0 3 296.327 -2.211 20 0 CAADHN CC(C)(C)C(=O)NC[C@@H](O)CN[C@H]1CCC(=O)NC1=O ZINC001497096949 893605359 /nfs/dbraw/zinc/60/53/59/893605359.db2.gz QJZFWEHPQFNFBI-IUCAKERBSA-N 0 3 285.344 -1.096 20 0 CAADHN Cc1c[nH]cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497114044 893605379 /nfs/dbraw/zinc/60/53/79/893605379.db2.gz OPMBLTJXUIEEJM-QMMMGPOBSA-N 0 3 254.290 -1.511 20 0 CAADHN Cc1c[nH]cc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001497113708 893605439 /nfs/dbraw/zinc/60/54/39/893605439.db2.gz MADGPYQGFCCMQT-RKDXNWHRSA-N 0 3 268.317 -1.123 20 0 CAADHN O=C(CN1C(=O)CCC1=O)NC[C@H](O)CNCCF ZINC001497112856 893605862 /nfs/dbraw/zinc/60/58/62/893605862.db2.gz HIEDZWBWYIEGFN-MRVPVSSYSA-N 0 3 275.280 -1.828 20 0 CAADHN Cc1c[nH]cc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001497113965 893606020 /nfs/dbraw/zinc/60/60/20/893606020.db2.gz NFAISLBHIPDANW-MWLCHTKSSA-N 0 3 280.328 -1.108 20 0 CAADHN Cc1c[nH]cc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001497113706 893606150 /nfs/dbraw/zinc/60/61/50/893606150.db2.gz MADGPYQGFCCMQT-DTWKUNHWSA-N 0 3 268.317 -1.123 20 0 CAADHN Cn1cc(CCC(=O)NC[C@@H](O)CNCC(N)=O)nn1 ZINC001497126475 893607584 /nfs/dbraw/zinc/60/75/84/893607584.db2.gz MKLPWCSOJNRABV-VIFPVBQESA-N 0 3 284.320 -2.700 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cn1ccnc1)C(=O)N(C)C ZINC001497127489 893607632 /nfs/dbraw/zinc/60/76/32/893607632.db2.gz VFGSKRSJDAVLDZ-WDEREUQCSA-N 0 3 297.359 -1.574 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cn1ccnc1)C(N)=O ZINC001497126707 893608311 /nfs/dbraw/zinc/60/83/11/893608311.db2.gz OVKDBZHOEVCBAC-IUCAKERBSA-N 0 3 269.305 -2.176 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1ccc[nH]1 ZINC001497115626 893608384 /nfs/dbraw/zinc/60/83/84/893608384.db2.gz BYQNRFYWXNSJHS-LLVKDONJSA-N 0 3 282.344 -1.288 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CCNCc1cnnn1C ZINC001497128917 893608489 /nfs/dbraw/zinc/60/84/89/893608489.db2.gz FZWOALLJVMRLRK-SECBINFHSA-N 0 3 282.348 -1.064 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001497121290 893608600 /nfs/dbraw/zinc/60/86/00/893608600.db2.gz HULIUKPGZDNNAJ-NXEZZACHSA-N 0 3 286.332 -2.451 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001497120340 893608823 /nfs/dbraw/zinc/60/88/23/893608823.db2.gz YKEJSFKKBXXHIK-JGVFFNPUSA-N 0 3 299.331 -2.722 20 0 CAADHN CC[C@H](C(=O)N1CCC[C@H]1CNC(=O)C(N)=O)N(C)C ZINC001497151282 893610239 /nfs/dbraw/zinc/61/02/39/893610239.db2.gz CNCIJRMICXSBNR-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](CCNCc1cnnn1C)NC(=O)[C@H]1CCNC1=O ZINC001497241426 893613084 /nfs/dbraw/zinc/61/30/84/893613084.db2.gz NWCMHXXIWMMWBH-KOLCDFICSA-N 0 3 294.359 -1.064 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CNC(=O)NC ZINC001497396230 893615180 /nfs/dbraw/zinc/61/51/80/893615180.db2.gz AOWYUVFYPVEXLN-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CCNC(=O)CC(=O)N(CC)CCN[C@@H]1CCNC1=O ZINC001497376461 893615322 /nfs/dbraw/zinc/61/53/22/893615322.db2.gz IMJXBIDNJYBIRZ-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCN(CCNCC(=O)NC(=O)NC)C(=O)CC(N)=O ZINC001497367091 893615749 /nfs/dbraw/zinc/61/57/49/893615749.db2.gz ABXNDUJUHAGLBA-UHFFFAOYSA-N 0 3 287.320 -2.245 20 0 CAADHN CCOCC(=O)N(CC)CCNCC(=O)NC(N)=O ZINC001497348860 893616075 /nfs/dbraw/zinc/61/60/75/893616075.db2.gz SEVFPNJSSSOZNK-UHFFFAOYSA-N 0 3 274.321 -1.344 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)c1ncn(C)n1 ZINC001497381955 893616340 /nfs/dbraw/zinc/61/63/40/893616340.db2.gz ZHPWZVBACKFXII-UHFFFAOYSA-N 0 3 297.319 -1.938 20 0 CAADHN CCNC(=O)CC(=O)N(CC)CCN[C@@H](C)C(N)=O ZINC001497376644 893616509 /nfs/dbraw/zinc/61/65/09/893616509.db2.gz LEPUVCWJDMQIIY-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)Cn1cccn1 ZINC001497348293 893617073 /nfs/dbraw/zinc/61/70/73/893617073.db2.gz HGJZYWUBUADQMN-UHFFFAOYSA-N 0 3 253.306 -1.194 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)Cc1cc[nH]n1 ZINC001497369152 893617228 /nfs/dbraw/zinc/61/72/28/893617228.db2.gz ZMEZLCIKGIJJIQ-UHFFFAOYSA-N 0 3 253.306 -1.124 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H](C)NC(N)=O ZINC001497375110 893617291 /nfs/dbraw/zinc/61/72/91/893617291.db2.gz QCVMHVGARWSKBY-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CN1CCN(C)C(=O)C1 ZINC001497417134 893617321 /nfs/dbraw/zinc/61/73/21/893617321.db2.gz VKOPRLVQBLMSHV-UHFFFAOYSA-N 0 3 299.375 -2.316 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1COCCO1 ZINC001497360350 893617420 /nfs/dbraw/zinc/61/74/20/893617420.db2.gz NYRCRSFNBSBKQI-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)c1cn(C)nn1 ZINC001497381724 893617514 /nfs/dbraw/zinc/61/75/14/893617514.db2.gz PVVJTGKRKAXHMK-MRVPVSSYSA-N 0 3 268.321 -1.259 20 0 CAADHN CC(=O)NCC(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C ZINC001497519730 893618820 /nfs/dbraw/zinc/61/88/20/893618820.db2.gz RZBVQIVOIBFZEI-PORFMDCZSA-N 0 3 284.360 -1.139 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cccnc1C(N)=O ZINC001497500313 893619420 /nfs/dbraw/zinc/61/94/20/893619420.db2.gz FNJQMXPNFYKWOG-UHFFFAOYSA-N 0 3 293.327 -1.283 20 0 CAADHN CCNC(=O)CNCCN(CC)C(=O)C1(C(N)=O)CC1 ZINC001497446948 893619438 /nfs/dbraw/zinc/61/94/38/893619438.db2.gz HUFZCCBPELXKNY-UHFFFAOYSA-N 0 3 284.360 -1.174 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@H]1CCC(=O)N1C ZINC001497445467 893619518 /nfs/dbraw/zinc/61/95/18/893619518.db2.gz TYLLUHBARDGICB-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)CCNC(N)=O ZINC001497494034 893619597 /nfs/dbraw/zinc/61/95/97/893619597.db2.gz LGMKDXCCKNZYAW-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001497437830 893619781 /nfs/dbraw/zinc/61/97/81/893619781.db2.gz ZIDMOJHKGHKYEH-SNVBAGLBSA-N 0 3 299.375 -1.464 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@]1(C)CCNC1=O ZINC001497453066 893619949 /nfs/dbraw/zinc/61/99/49/893619949.db2.gz PITCNCBLDUIHQI-LBPRGKRZSA-N 0 3 270.333 -1.564 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)c1cn(C)c(=O)[nH]1 ZINC001497448458 893620090 /nfs/dbraw/zinc/62/00/90/893620090.db2.gz WQJCVCDOFKMSEL-UHFFFAOYSA-N 0 3 283.332 -1.077 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)CCNC(N)=O ZINC001497494676 893620955 /nfs/dbraw/zinc/62/09/55/893620955.db2.gz XGSXNMRUNUOBFR-UHFFFAOYSA-N 0 3 273.337 -1.771 20 0 CAADHN CC[C@H](NC/C=C\CNC(=O)CNC(C)=O)C(N)=O ZINC001497518425 893621165 /nfs/dbraw/zinc/62/11/65/893621165.db2.gz IDMWYWNFXYZMIY-LWTINBJPSA-N 0 3 270.333 -1.352 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1CCNC1=O ZINC001497436118 893621259 /nfs/dbraw/zinc/62/12/59/893621259.db2.gz HPACGTUVSLWITR-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)CCNC(N)=O ZINC001497494637 893621433 /nfs/dbraw/zinc/62/14/33/893621433.db2.gz WCLLVRIHLWAMGC-UHFFFAOYSA-N 0 3 287.364 -1.429 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H](COC)OC ZINC001497452087 893621612 /nfs/dbraw/zinc/62/16/12/893621612.db2.gz ZAHDSEZNRYVTPG-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN Cn1cc(C(=O)NC/C=C\CN[C@H]2CCCNC2=O)nn1 ZINC001497577083 893622703 /nfs/dbraw/zinc/62/27/03/893622703.db2.gz ZTQAIXVBJIKCIY-ZMWSMAPVSA-N 0 3 292.343 -1.031 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)[C@H](C)NC(N)=O)C(=O)N(C)C ZINC001497572059 893623164 /nfs/dbraw/zinc/62/31/64/893623164.db2.gz JJQQBZBSNUYATR-NRAIBSHISA-N 0 3 299.375 -1.218 20 0 CAADHN CCC(=O)NCC(=O)NC/C=C/CN[C@@H](C)C(=O)NC ZINC001497550115 893623665 /nfs/dbraw/zinc/62/36/65/893623665.db2.gz XTDHLEVBRGXELP-PORFMDCZSA-N 0 3 284.360 -1.091 20 0 CAADHN CN(C)C(=O)CNC/C=C\CNC(=O)[C@@H]1CN(C)CCO1 ZINC001497551201 893624300 /nfs/dbraw/zinc/62/43/00/893624300.db2.gz BELSXFCKDKHGDG-RXNFCKPNSA-N 0 3 298.387 -1.333 20 0 CAADHN CN(C)C(=O)CNC/C=C/CNC(=O)[C@@H]1CN(C)CCO1 ZINC001497551199 893625019 /nfs/dbraw/zinc/62/50/19/893625019.db2.gz BELSXFCKDKHGDG-ITKZLYELSA-N 0 3 298.387 -1.333 20 0 CAADHN CN(C)C(=O)CNC/C=C\CNC(=O)[C@H]1CN(C)CCO1 ZINC001497551200 893625051 /nfs/dbraw/zinc/62/50/51/893625051.db2.gz BELSXFCKDKHGDG-QMAVJUDZSA-N 0 3 298.387 -1.333 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)C(C)(C)C(N)=O)C(N)=O ZINC001497602387 893627394 /nfs/dbraw/zinc/62/73/94/893627394.db2.gz PMCPJRABKIFYEA-PULIVWKDSA-N 0 3 270.333 -1.366 20 0 CAADHN CC[C@H](NC/C=C\CNC(=O)[C@@H]1CC(=O)N(C)C1)C(N)=O ZINC001497596237 893627417 /nfs/dbraw/zinc/62/74/17/893627417.db2.gz AXMRPCXKSXWPGN-KWKBKKAHSA-N 0 3 296.371 -1.009 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@@H]1CCNC1=O)C(N)=O ZINC001497649299 893627526 /nfs/dbraw/zinc/62/75/26/893627526.db2.gz HVENNLWEUGZWBD-JKRGSOBMSA-N 0 3 268.317 -1.742 20 0 CAADHN CS(=O)(=O)NCCNC/C=C\CNC(=O)C(N)=O ZINC001497667001 893627837 /nfs/dbraw/zinc/62/78/37/893627837.db2.gz BYQDNLMQNLPYAU-IHWYPQMZSA-N 0 3 278.334 -2.717 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NC/C=C\CNC(=O)C(N)=O ZINC001497668967 893628002 /nfs/dbraw/zinc/62/80/02/893628002.db2.gz JVMVALODGYJBRT-LWTINBJPSA-N 0 3 284.360 -1.106 20 0 CAADHN CC[C@H](NC/C=C/CNC(=O)[C@@H]1CC(=O)N(C)C1)C(N)=O ZINC001497596242 893628452 /nfs/dbraw/zinc/62/84/52/893628452.db2.gz AXMRPCXKSXWPGN-ZJRFNNFUSA-N 0 3 296.371 -1.009 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)CN1CCCNC1=O)C(N)=O ZINC001497622891 893628473 /nfs/dbraw/zinc/62/84/73/893628473.db2.gz HOKBRKPNYSOEGJ-PBKGFPTLSA-N 0 3 297.359 -1.463 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)CNC(C)=O ZINC001497775903 893629630 /nfs/dbraw/zinc/62/96/30/893629630.db2.gz HTGHFHGQFVLPFX-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C\CNC(=O)C(=O)NCC1CC1 ZINC001497706534 893630152 /nfs/dbraw/zinc/63/01/52/893630152.db2.gz BRDRYDYYHQEQRM-UMBAGQNISA-N 0 3 296.371 -1.091 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CCC(=O)N1 ZINC001497726744 893630274 /nfs/dbraw/zinc/63/02/74/893630274.db2.gz UXENVSGKNCSIIP-CMIOBCHKSA-N 0 3 282.344 -1.339 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C/CNC(=O)[C@@H]1CCC(=O)N1 ZINC001497726746 893630523 /nfs/dbraw/zinc/63/05/23/893630523.db2.gz UXENVSGKNCSIIP-OKWQPMOJSA-N 0 3 282.344 -1.339 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)C1CC(=O)NC(=O)C1)C(N)=O ZINC001497700675 893630541 /nfs/dbraw/zinc/63/05/41/893630541.db2.gz IRACBBILWKUXJN-SGJFDWMWSA-N 0 3 296.327 -1.825 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)C1CC(=O)NC(=O)C1)C(N)=O ZINC001497700679 893630675 /nfs/dbraw/zinc/63/06/75/893630675.db2.gz IRACBBILWKUXJN-YAJNLLPGSA-N 0 3 296.327 -1.825 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)C(=O)NCC1CC1 ZINC001497706531 893630827 /nfs/dbraw/zinc/63/08/27/893630827.db2.gz BRDRYDYYHQEQRM-FSIBCCDJSA-N 0 3 296.371 -1.091 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnccn1 ZINC001497780888 893630908 /nfs/dbraw/zinc/63/09/08/893630908.db2.gz CPDSTLIJGCOVCD-MRVPVSSYSA-N 0 3 291.315 -1.194 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)C(=O)NCC1CC1 ZINC001497706536 893631018 /nfs/dbraw/zinc/63/10/18/893631018.db2.gz BRDRYDYYHQEQRM-XOULXFPDSA-N 0 3 296.371 -1.091 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)CCn1cnnn1)C(N)=O ZINC001497714677 893631636 /nfs/dbraw/zinc/63/16/36/893631636.db2.gz PEVRSGBSQTWAAV-HPOULIHZSA-N 0 3 281.320 -1.801 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)CCn1cnnn1)C(N)=O ZINC001497714678 893631936 /nfs/dbraw/zinc/63/19/36/893631936.db2.gz PEVRSGBSQTWAAV-PKRMOACSSA-N 0 3 281.320 -1.801 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)C1CC(=O)NC(=O)C1)C(N)=O ZINC001497700674 893632019 /nfs/dbraw/zinc/63/20/19/893632019.db2.gz IRACBBILWKUXJN-KZUAUGPASA-N 0 3 296.327 -1.825 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnnn1C ZINC001497811489 893633499 /nfs/dbraw/zinc/63/34/99/893633499.db2.gz QLAFBQBRWGDGFS-SSDOTTSWSA-N 0 3 294.319 -1.855 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cn[nH]c1 ZINC001497792666 893633614 /nfs/dbraw/zinc/63/36/14/893633614.db2.gz HIIGQWCTRISFAI-SSDOTTSWSA-N 0 3 279.304 -1.260 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CC(=O)NCC ZINC001497807177 893633653 /nfs/dbraw/zinc/63/36/53/893633653.db2.gz QSFPDPSXLKQQQA-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)Cn1cnnn1 ZINC001497785223 893633752 /nfs/dbraw/zinc/63/37/52/893633752.db2.gz OACXDHNOVQCQJY-SECBINFHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001497785224 893633802 /nfs/dbraw/zinc/63/38/02/893633802.db2.gz OEDBPICGOPDZQA-HTQZYQBOSA-N 0 3 269.309 -2.098 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)[C@H]2CCC(=O)N2)n[nH]1 ZINC001497797839 893633915 /nfs/dbraw/zinc/63/39/15/893633915.db2.gz LEWOMTOUUVLXBA-VXNVDRBHSA-N 0 3 280.332 -1.014 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CN(C)C(C)=O)C(N)=O ZINC001497788844 893633958 /nfs/dbraw/zinc/63/39/58/893633958.db2.gz CUMDFTLVVWHSLU-SCZZXKLOSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001497785225 893633976 /nfs/dbraw/zinc/63/39/76/893633976.db2.gz OEDBPICGOPDZQA-SFYZADRCSA-N 0 3 269.309 -2.098 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001497804628 893633994 /nfs/dbraw/zinc/63/39/94/893633994.db2.gz NCDHEOIFCPITNI-NXEZZACHSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@H](CNCC(=O)N(C)CC1CC1)NC(=O)CC(N)=O ZINC001497799549 893634073 /nfs/dbraw/zinc/63/40/73/893634073.db2.gz FBZLUCFUPKMNLV-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CC(N)=O ZINC001497800050 893634097 /nfs/dbraw/zinc/63/40/97/893634097.db2.gz ZZBSLWXGQOYJSH-SFYZADRCSA-N 0 3 258.322 -1.567 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1COCCO1 ZINC001497791370 893634191 /nfs/dbraw/zinc/63/41/91/893634191.db2.gz CTNXZAINLADZMF-NXEZZACHSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1cccn1 ZINC001497788561 893635051 /nfs/dbraw/zinc/63/50/51/893635051.db2.gz JDMDCIUROIYKGQ-BDAKNGLRSA-N 0 3 253.306 -1.149 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1nnc[n-]1 ZINC001497802238 893635091 /nfs/dbraw/zinc/63/50/91/893635091.db2.gz RRBKSNWLBJZBLW-RKDXNWHRSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001497798711 893635389 /nfs/dbraw/zinc/63/53/89/893635389.db2.gz GBEBXLMSSOGFPH-MNOVXSKESA-N 0 3 286.376 -1.501 20 0 CAADHN Cc1cnn(CC(=O)N[C@H](C)CNCC(N)=O)c1 ZINC001497793542 893635478 /nfs/dbraw/zinc/63/54/78/893635478.db2.gz MVQSPWJQGMXEGL-SECBINFHSA-N 0 3 253.306 -1.229 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)CC(N)=O ZINC001497800049 893635503 /nfs/dbraw/zinc/63/55/03/893635503.db2.gz ZZBSLWXGQOYJSH-HTQZYQBOSA-N 0 3 258.322 -1.567 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)c1cnn(C)c1N)C(N)=O ZINC001497805531 893635809 /nfs/dbraw/zinc/63/58/09/893635809.db2.gz QQEBEIIXZOBVPV-APPZFPTMSA-N 0 3 282.348 -1.026 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cnn(C)c1N ZINC001497805465 893635870 /nfs/dbraw/zinc/63/58/70/893635870.db2.gz NXOBXQNRLMHSQW-RQJHMYQMSA-N 0 3 268.321 -1.416 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC ZINC001497810992 893635877 /nfs/dbraw/zinc/63/58/77/893635877.db2.gz MKEDCVVDTNZWTK-RKDXNWHRSA-N 0 3 287.364 -1.466 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001497792972 893635931 /nfs/dbraw/zinc/63/59/31/893635931.db2.gz OVGCQTGATRZFTB-HTQZYQBOSA-N 0 3 272.305 -1.675 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001497805009 893636016 /nfs/dbraw/zinc/63/60/16/893636016.db2.gz ZJZKDEXDUFRJMZ-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)NC(=O)CNC(=O)NC)C1=O ZINC001497825628 893637364 /nfs/dbraw/zinc/63/73/64/893637364.db2.gz SNNNRCILXFBKGA-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CO[C@H]1CCOC1 ZINC001497816611 893637779 /nfs/dbraw/zinc/63/77/79/893637779.db2.gz WAKSEDXYIQKOJC-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001497825582 893637851 /nfs/dbraw/zinc/63/78/51/893637851.db2.gz QSYZBXHCICTPGA-MRVPVSSYSA-N 0 3 297.315 -2.873 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCN1C(=O)CCC1=O ZINC001497851487 893637883 /nfs/dbraw/zinc/63/78/83/893637883.db2.gz QCQDNPDRZZZPIY-SECBINFHSA-N 0 3 298.343 -1.634 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N[C@H](C)CNCC(=O)NC ZINC001497820596 893639158 /nfs/dbraw/zinc/63/91/58/893639158.db2.gz RJTSPGXVCFKMEV-BDAKNGLRSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)Cn1ncnn1 ZINC001497817444 893638393 /nfs/dbraw/zinc/63/83/93/893638393.db2.gz ROFDDZNQENTKSB-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001497827216 893638461 /nfs/dbraw/zinc/63/84/61/893638461.db2.gz IHVULJSSOIDYOW-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CN(C)S(C)(=O)=O ZINC001497822077 893638601 /nfs/dbraw/zinc/63/86/01/893638601.db2.gz CINFQUJSMZPHRC-SFYZADRCSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@H](C)NC(N)=O ZINC001497816638 893639094 /nfs/dbraw/zinc/63/90/94/893639094.db2.gz XKTILZGDFURAMJ-NKWVEPMBSA-N 0 3 259.310 -1.987 20 0 CAADHN CO[C@H](C(=O)N[C@H](C)CNCC(N)=O)c1cnn(C)c1 ZINC001497865455 893639280 /nfs/dbraw/zinc/63/92/80/893639280.db2.gz RHWGIZDCAATMBQ-KCJUWKMLSA-N 0 3 283.332 -1.313 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001497835445 893639432 /nfs/dbraw/zinc/63/94/32/893639432.db2.gz AAZTVLAYYDZUGI-PELKAZGASA-N 0 3 270.333 -1.518 20 0 CAADHN COc1nn(C)cc1C(=O)N[C@H](C)CNCC(N)=O ZINC001497875597 893639535 /nfs/dbraw/zinc/63/95/35/893639535.db2.gz CYLLNCFLPFKHSH-SSDOTTSWSA-N 0 3 269.305 -1.378 20 0 CAADHN C[C@H](CNCCF)NC(=O)Cn1ncn(C)c1=O ZINC001497842533 893639614 /nfs/dbraw/zinc/63/96/14/893639614.db2.gz LOLHJXJLOMJNMD-MRVPVSSYSA-N 0 3 259.285 -1.354 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001497817826 893639635 /nfs/dbraw/zinc/63/96/35/893639635.db2.gz MOCAKCASHIJKHA-ZDMBXUJBSA-N 0 3 298.343 -1.427 20 0 CAADHN COc1nc(C(=O)N[C@H](C)CNCC(N)=O)co1 ZINC001497866134 893639677 /nfs/dbraw/zinc/63/96/77/893639677.db2.gz XWEPSMUZCLGEAZ-ZCFIWIBFSA-N 0 3 256.262 -1.124 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001497843261 893639762 /nfs/dbraw/zinc/63/97/62/893639762.db2.gz KKJXUNWLGPATQX-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)NC(=O)CNC(=O)NC)C1=O ZINC001497825629 893639806 /nfs/dbraw/zinc/63/98/06/893639806.db2.gz SNNNRCILXFBKGA-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)C(N)=O ZINC001497896333 893640948 /nfs/dbraw/zinc/64/09/48/893640948.db2.gz XHDLITLBUHZSBU-RNFRBKRXSA-N 0 3 256.306 -1.767 20 0 CAADHN COC[C@@H](C)CC(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001497954283 893640984 /nfs/dbraw/zinc/64/09/84/893640984.db2.gz SWMOUCVZLQSXIA-DTWKUNHWSA-N 0 3 288.348 -1.052 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001497884307 893641229 /nfs/dbraw/zinc/64/12/29/893641229.db2.gz WUBKTLOCAKXOAE-MRVPVSSYSA-N 0 3 283.336 -1.557 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001497907945 893641263 /nfs/dbraw/zinc/64/12/63/893641263.db2.gz JHDQEPHMCKYYNF-HRDYMLBCSA-N 0 3 286.332 -2.140 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1nc2ncccn2n1 ZINC001497944130 893641322 /nfs/dbraw/zinc/64/13/22/893641322.db2.gz CCXXAECLXVGQST-SFYZADRCSA-N 0 3 291.315 -1.294 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)C(N)=O ZINC001497923996 893642488 /nfs/dbraw/zinc/64/24/88/893642488.db2.gz ZUSBCUUOMFHKHU-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](C)CN[C@@H](C)C(N)=O)CC1 ZINC001497940832 893642636 /nfs/dbraw/zinc/64/26/36/893642636.db2.gz ZGXGZNOFYLMJKL-SFYZADRCSA-N 0 3 270.333 -1.519 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001497902908 893642696 /nfs/dbraw/zinc/64/26/96/893642696.db2.gz TUGMHPHLJNKLHF-PELKAZGASA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001497939909 893642710 /nfs/dbraw/zinc/64/27/10/893642710.db2.gz DSEVAJSANHNTAJ-BDAKNGLRSA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](C)CN[C@H](C)C(N)=O)CC1 ZINC001497940831 893642797 /nfs/dbraw/zinc/64/27/97/893642797.db2.gz ZGXGZNOFYLMJKL-HTQZYQBOSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)CCn1cnnn1 ZINC001497949302 893642848 /nfs/dbraw/zinc/64/28/48/893642848.db2.gz OSPNDRLAMXUKAA-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)CS(C)(=O)=O ZINC001498020481 893644521 /nfs/dbraw/zinc/64/45/21/893644521.db2.gz UTPFEEZCGSXNKI-IUCAKERBSA-N 0 3 291.373 -1.596 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)CNCCF ZINC001497986706 893644738 /nfs/dbraw/zinc/64/47/38/893644738.db2.gz VQPYFMCVPPYGDK-SSDOTTSWSA-N 0 3 255.315 -1.401 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001498022313 893644858 /nfs/dbraw/zinc/64/48/58/893644858.db2.gz RQQZRSZKWRFJDM-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001497982361 893644957 /nfs/dbraw/zinc/64/49/57/893644957.db2.gz YPQQGWUOMPZVGP-HTQZYQBOSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cnn(C)c1 ZINC001498009890 893645147 /nfs/dbraw/zinc/64/51/47/893645147.db2.gz HCOFATXMMMFJKX-WPRPVWTQSA-N 0 3 293.327 -1.067 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)COC ZINC001498002879 893645213 /nfs/dbraw/zinc/64/52/13/893645213.db2.gz RESPAFYXPSXMSD-JGVFFNPUSA-N 0 3 274.321 -1.429 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001497977708 893645284 /nfs/dbraw/zinc/64/52/84/893645284.db2.gz WTJMUZCWGSCUAB-SECBINFHSA-N 0 3 295.343 -1.376 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)Cc1ccc(C(N)=O)cc1 ZINC001497995349 893645376 /nfs/dbraw/zinc/64/53/76/893645376.db2.gz ZSMPVMYOIIKGHF-SECBINFHSA-N 0 3 292.339 -1.092 20 0 CAADHN CCOCC(=O)N[C@@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001498008712 893645641 /nfs/dbraw/zinc/64/56/41/893645641.db2.gz FJOLTZFXNVYOKV-IUCAKERBSA-N 0 3 271.317 -1.078 20 0 CAADHN CO[C@@H](C)C(=O)N[C@@H](C)CNCCNS(C)(=O)=O ZINC001498020670 893645465 /nfs/dbraw/zinc/64/54/65/893645465.db2.gz XEMHBXQMCFWZDW-IUCAKERBSA-N 0 3 281.378 -1.335 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cnn(C)c1 ZINC001498010996 893645502 /nfs/dbraw/zinc/64/55/02/893645502.db2.gz WTFMDKUKKRKDEI-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001497993558 893645673 /nfs/dbraw/zinc/64/56/73/893645673.db2.gz UKWGIQMBIDWEDE-MRVPVSSYSA-N 0 3 283.332 -1.822 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCCCN(C)C1=O ZINC001497959069 893645708 /nfs/dbraw/zinc/64/57/08/893645708.db2.gz OWBIGRYGXDKJLG-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001497967641 893645923 /nfs/dbraw/zinc/64/59/23/893645923.db2.gz WHEGZRZGZJFRAQ-HLTSFMKQSA-N 0 3 296.327 -1.836 20 0 CAADHN C[C@H](CNCCF)NC(=O)c1cn(CC(N)=O)nn1 ZINC001497993685 893646014 /nfs/dbraw/zinc/64/60/14/893646014.db2.gz SUGWYRUEWDUOJU-SSDOTTSWSA-N 0 3 272.284 -1.559 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CS(=O)(=O)CC)C(N)=O ZINC001497992608 893646131 /nfs/dbraw/zinc/64/61/31/893646131.db2.gz GVJCKFIAUXDXQV-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cnn(C)c1 ZINC001498009888 893646295 /nfs/dbraw/zinc/64/62/95/893646295.db2.gz HCOFATXMMMFJKX-WCBMZHEXSA-N 0 3 293.327 -1.067 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H](C)COC ZINC001498022359 893646691 /nfs/dbraw/zinc/64/66/91/893646691.db2.gz TWHIHXCQOFWOFC-IUCAKERBSA-N 0 3 288.348 -1.181 20 0 CAADHN CCNC(=O)CCC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001498021568 893646409 /nfs/dbraw/zinc/64/64/09/893646409.db2.gz MPWOPIJCYFKIGW-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CO[C@@H](C)C(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001498020197 893646632 /nfs/dbraw/zinc/64/66/32/893646632.db2.gz QWSWATQJNULBGE-FXQIFTODSA-N 0 3 274.321 -1.301 20 0 CAADHN C[C@H](C[NH2+][C@H]1CCNC1=O)NC(=O)Cc1nnc[n-]1 ZINC001497959991 893646664 /nfs/dbraw/zinc/64/66/64/893646664.db2.gz DTZUBVYQVKQQJB-SFYZADRCSA-N 0 3 266.305 -1.670 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CN(C)C(C)=O)C(N)=O ZINC001498015028 893646934 /nfs/dbraw/zinc/64/69/34/893646934.db2.gz CUMDFTLVVWHSLU-WCBMZHEXSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001497967650 893646719 /nfs/dbraw/zinc/64/67/19/893646719.db2.gz WHHKYEJISIJXNN-VGMNWLOBSA-N 0 3 268.317 -1.752 20 0 CAADHN CCNC(=O)CCC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001498021821 893646797 /nfs/dbraw/zinc/64/67/97/893646797.db2.gz RGJYHWLMRIJBIU-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CCN1CC[C@H](NC[C@H](C)NC(=O)Cn2cnnn2)C1=O ZINC001498009670 893646826 /nfs/dbraw/zinc/64/68/26/893646826.db2.gz CUJHGOZWRRAPCN-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CNC(=O)OC ZINC001498017355 893646878 /nfs/dbraw/zinc/64/68/78/893646878.db2.gz XXBMQETXSPWNKG-ZETCQYMHSA-N 0 3 260.294 -1.817 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001498021094 893646974 /nfs/dbraw/zinc/64/69/74/893646974.db2.gz CRRHJQLMYNZFBO-QMMMGPOBSA-N 0 3 298.347 -1.771 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001497993160 893647020 /nfs/dbraw/zinc/64/70/20/893647020.db2.gz MXRGBENGNZGLBD-BDAKNGLRSA-N 0 3 297.359 -1.304 20 0 CAADHN Cc1nccc(C(=O)N[C@H](C)CNCC(N)=O)n1 ZINC001497985824 893647210 /nfs/dbraw/zinc/64/72/10/893647210.db2.gz MEKJDLCCNYFAJD-SSDOTTSWSA-N 0 3 251.290 -1.022 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cncnc1 ZINC001498034247 893648570 /nfs/dbraw/zinc/64/85/70/893648570.db2.gz UXYHBGLUKZEWDR-WCBMZHEXSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)Cn1ncnn1 ZINC001498043914 893648819 /nfs/dbraw/zinc/64/88/19/893648819.db2.gz ROTZTXVESPSEAD-VIFPVBQESA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CO[C@H]1CCOC1 ZINC001498042681 893649186 /nfs/dbraw/zinc/64/91/86/893649186.db2.gz UPSPJIQMEYIOGX-IUCAKERBSA-N 0 3 259.306 -1.629 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@H]1CCNC1=O ZINC001498050283 893649430 /nfs/dbraw/zinc/64/94/30/893649430.db2.gz BPOCFQJETPHYGK-JGVFFNPUSA-N 0 3 256.306 -1.908 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)c1ncn(C)n1)C(N)=O ZINC001498039188 893649499 /nfs/dbraw/zinc/64/94/99/893649499.db2.gz PEXMRDKAMQFSMN-YUMQZZPRSA-N 0 3 268.321 -1.213 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CN1CCOCC1 ZINC001498033511 893649505 /nfs/dbraw/zinc/64/95/05/893649505.db2.gz QCTZKAFAQIJCDH-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H](CNCCNS(C)(=O)=O)NC(=O)CC(N)=O ZINC001498025953 893649516 /nfs/dbraw/zinc/64/95/16/893649516.db2.gz HFUXNWBQZOWUED-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCn1ccccc1=O ZINC001498049124 893649560 /nfs/dbraw/zinc/64/95/60/893649560.db2.gz XJYXPBUBCZXLEY-JTQLQIEISA-N 0 3 280.328 -1.182 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CN1CCOCC1)C(N)=O ZINC001498032984 893649610 /nfs/dbraw/zinc/64/96/10/893649610.db2.gz GNJYIMKGVNQMNW-WDEREUQCSA-N 0 3 286.376 -1.323 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001498034908 893649720 /nfs/dbraw/zinc/64/97/20/893649720.db2.gz QNGQLSDTSXONLU-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001498038134 893649734 /nfs/dbraw/zinc/64/97/34/893649734.db2.gz HZJGJOOBYBURNE-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1COC(=O)N1 ZINC001498037856 893649746 /nfs/dbraw/zinc/64/97/46/893649746.db2.gz DAUFETBKBSLODH-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001498038135 893649759 /nfs/dbraw/zinc/64/97/59/893649759.db2.gz HZJGJOOBYBURNE-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CN1CCOCC1)C(N)=O ZINC001498032983 893649772 /nfs/dbraw/zinc/64/97/72/893649772.db2.gz GNJYIMKGVNQMNW-QWRGUYRKSA-N 0 3 286.376 -1.323 20 0 CAADHN CCCNC(=O)[C@H](C)NC[C@H](C)NC(=O)CC(N)=O ZINC001498026739 893649805 /nfs/dbraw/zinc/64/98/05/893649805.db2.gz QXDCKLJLKISSSU-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CNCC(=O)N2CCC2)C1 ZINC001498036386 893649828 /nfs/dbraw/zinc/64/98/28/893649828.db2.gz UGWDWKKCGIIYBF-JTQLQIEISA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001498044806 893649831 /nfs/dbraw/zinc/64/98/31/893649831.db2.gz SEJGPXQEMOFXKG-ZETCQYMHSA-N 0 3 283.336 -1.379 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1COC(=O)N1 ZINC001498037789 893649845 /nfs/dbraw/zinc/64/98/45/893649845.db2.gz BYBOOGIVEOPGBK-IONNQARKSA-N 0 3 284.316 -1.532 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CCCNC1=O ZINC001498056162 893651210 /nfs/dbraw/zinc/65/12/10/893651210.db2.gz MDQVGARQZFFJJO-ONGXEEELSA-N 0 3 296.371 -1.115 20 0 CAADHN CC(C)CS(=O)(=O)CC(=O)N[C@@H](C)CNCC(N)=O ZINC001498061060 893651860 /nfs/dbraw/zinc/65/18/60/893651860.db2.gz ZBDHNPNIBJWFLL-VIFPVBQESA-N 0 3 293.389 -1.363 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1c[nH]c(=O)n1C ZINC001498086410 893651582 /nfs/dbraw/zinc/65/15/82/893651582.db2.gz CXGQLAIOKZYRHZ-YUMQZZPRSA-N 0 3 281.316 -1.278 20 0 CAADHN Cc1nc(C(=O)N[C@@H](C)CNCC(N)=O)c(=O)[nH]c1C ZINC001498057989 893652161 /nfs/dbraw/zinc/65/21/61/893652161.db2.gz DCGKQFBJMPCMHX-LURJTMIESA-N 0 3 281.316 -1.008 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)COCc1cc[nH]c(=O)c1 ZINC001498061185 893652260 /nfs/dbraw/zinc/65/22/60/893652260.db2.gz UGZUTBZAEVHHDH-VIFPVBQESA-N 0 3 296.327 -1.117 20 0 CAADHN C[C@H](C(=O)N[C@@H](C)CNCC(N)=O)S(C)(=O)=O ZINC001498060411 893652291 /nfs/dbraw/zinc/65/22/91/893652291.db2.gz RFSJRKBNYSSVTA-NKWVEPMBSA-N 0 3 265.335 -2.001 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1csnn1 ZINC001498077690 893652333 /nfs/dbraw/zinc/65/23/33/893652333.db2.gz UBXLQTGWPAPTJJ-LURJTMIESA-N 0 3 257.319 -1.008 20 0 CAADHN C[C@@H](CNCCNS(C)(=O)=O)NC(=O)c1cnco1 ZINC001498078809 893652514 /nfs/dbraw/zinc/65/25/14/893652514.db2.gz ZAIDYDDFAAPOOJ-QMMMGPOBSA-N 0 3 290.345 -1.068 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001498089715 893653642 /nfs/dbraw/zinc/65/36/42/893653642.db2.gz UDMBVPRDAHVALX-JGVFFNPUSA-N 0 3 283.336 -1.605 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001498098086 893654497 /nfs/dbraw/zinc/65/44/97/893654497.db2.gz GZQMKQXUOMBROG-UWVGGRQHSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CCNC1=O ZINC001498088250 893654794 /nfs/dbraw/zinc/65/47/94/893654794.db2.gz YCCFCKNIDQIFCL-ONGXEEELSA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001498106638 893654876 /nfs/dbraw/zinc/65/48/76/893654876.db2.gz RAHRWGPDSAWDLI-RWEMILLDSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C1CCS(=O)(=O)CC1 ZINC001498129222 893656916 /nfs/dbraw/zinc/65/69/16/893656916.db2.gz BRDAQNJCZHZHMA-QMMMGPOBSA-N 0 3 291.373 -1.609 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001498166145 893659747 /nfs/dbraw/zinc/65/97/47/893659747.db2.gz CPPWCTKFZIMTMS-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)c1cnn(C)n1)C(N)=O ZINC001498140576 893659853 /nfs/dbraw/zinc/65/98/53/893659853.db2.gz KBFOMGMEOWPFEV-JGVFFNPUSA-N 0 3 268.321 -1.213 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)Cc1nonc1C ZINC001498152082 893660646 /nfs/dbraw/zinc/66/06/46/893660646.db2.gz UJKYCBBHJJFMLE-ZETCQYMHSA-N 0 3 269.305 -1.239 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCn1cnnn1 ZINC001498145612 893660787 /nfs/dbraw/zinc/66/07/87/893660787.db2.gz DLAUUMURVOFMKD-IUCAKERBSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cc1ncc[nH]1)C(N)=O ZINC001498148920 893660959 /nfs/dbraw/zinc/66/09/59/893660959.db2.gz XJWHOQSLSPWDEO-JGVFFNPUSA-N 0 3 253.306 -1.080 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001498192545 893663194 /nfs/dbraw/zinc/66/31/94/893663194.db2.gz PHFDHCBCVJGEGB-IUCAKERBSA-N 0 3 293.389 -1.222 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001498189402 893663963 /nfs/dbraw/zinc/66/39/63/893663963.db2.gz BBYJXCIAMRBAFH-ZETCQYMHSA-N 0 3 281.316 -1.433 20 0 CAADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN[C@H](C)C(N)=O)no1 ZINC001498188105 893664047 /nfs/dbraw/zinc/66/40/47/893664047.db2.gz OUSJLUDWYAWFQX-POYBYMJQSA-N 0 3 297.315 -1.110 20 0 CAADHN Cc1nonc1C(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001498206578 893664265 /nfs/dbraw/zinc/66/42/65/893664265.db2.gz GLZCPLYYFDQLFF-CAHLUQPWSA-N 0 3 255.278 -1.040 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ccn(C)n1 ZINC001498188972 893664334 /nfs/dbraw/zinc/66/43/34/893664334.db2.gz XQHIDAULSMVXIW-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001498182513 893664377 /nfs/dbraw/zinc/66/43/77/893664377.db2.gz WNFHZHGGJQSSEP-NKWVEPMBSA-N 0 3 285.304 -2.494 20 0 CAADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O)no1 ZINC001498188209 893664651 /nfs/dbraw/zinc/66/46/51/893664651.db2.gz OUSJLUDWYAWFQX-XPUUQOCRSA-N 0 3 297.315 -1.110 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCNC(=O)c1ccco1 ZINC001498180428 893664681 /nfs/dbraw/zinc/66/46/81/893664681.db2.gz BJCPNFPMHSZXGO-VIFPVBQESA-N 0 3 296.327 -1.021 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)Cn1cncn1 ZINC001498180830 893664829 /nfs/dbraw/zinc/66/48/29/893664829.db2.gz GAIJSWCHDKLFMX-DTWKUNHWSA-N 0 3 266.305 -1.739 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001498206653 893664961 /nfs/dbraw/zinc/66/49/61/893664961.db2.gz MFVNWWYOCGDXQP-NKWVEPMBSA-N 0 3 270.289 -2.381 20 0 CAADHN Cc1nc(CC(=O)N[C@@H](C)CN(C)[C@H]2CCNC2=O)n[nH]1 ZINC001498277840 893666673 /nfs/dbraw/zinc/66/66/73/893666673.db2.gz YXWXKBKHOFACSN-WPRPVWTQSA-N 0 3 294.359 -1.019 20 0 CAADHN C[C@@H](CC(=O)N[C@@H](C)CN(C)CCO)NC(N)=O ZINC001498281949 893667326 /nfs/dbraw/zinc/66/73/26/893667326.db2.gz RQBBTRJUYNWZKE-IUCAKERBSA-N 0 3 260.338 -1.138 20 0 CAADHN Cc1nc(CC(=O)N[C@H](C)CN(C)[C@H]2CCNC2=O)n[nH]1 ZINC001498277838 893667472 /nfs/dbraw/zinc/66/74/72/893667472.db2.gz YXWXKBKHOFACSN-SCZZXKLOSA-N 0 3 294.359 -1.019 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001498235261 893667611 /nfs/dbraw/zinc/66/76/11/893667611.db2.gz YUWANQNSGTZLJN-SNVBAGLBSA-N 0 3 298.343 -1.238 20 0 CAADHN Cc1nc(CC(=O)N[C@@H](C)CN(C)[C@H](C)C(N)=O)n[nH]1 ZINC001498277130 893667940 /nfs/dbraw/zinc/66/79/40/893667940.db2.gz POCFFCYEHJPELR-JGVFFNPUSA-N 0 3 282.348 -1.034 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC001498234218 893668576 /nfs/dbraw/zinc/66/85/76/893668576.db2.gz GEWXCAHVMNMPLF-UHFFFAOYSA-N 0 3 256.306 -1.861 20 0 CAADHN CN(C)C1(C(=O)NC2CN(C(=O)C(N)=O)C2)CCC1 ZINC001498241280 893669187 /nfs/dbraw/zinc/66/91/87/893669187.db2.gz OFENOHYUMMNJFC-UHFFFAOYSA-N 0 3 268.317 -1.717 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001498312219 893670906 /nfs/dbraw/zinc/67/09/06/893670906.db2.gz NYLIFMKKEJSCCU-UWVGGRQHSA-N 0 3 289.376 -1.058 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CN(C)S(C)(=O)=O ZINC001498302094 893672623 /nfs/dbraw/zinc/67/26/23/893672623.db2.gz YEOZIIQBIXMXRH-SECBINFHSA-N 0 3 281.378 -1.693 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001498393307 893674364 /nfs/dbraw/zinc/67/43/64/893674364.db2.gz SXNGGFMNQRFTFA-SFYZADRCSA-N 0 3 272.305 -1.987 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001498460355 893677252 /nfs/dbraw/zinc/67/72/52/893677252.db2.gz ZECSBCGGGYVJCR-ZJUUUORDSA-N 0 3 293.389 -1.239 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)c1ccc(=O)n(C)n1 ZINC001498445572 893677509 /nfs/dbraw/zinc/67/75/09/893677509.db2.gz SWXQXPMCAAOVQE-SECBINFHSA-N 0 3 268.317 -1.177 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001498460353 893677622 /nfs/dbraw/zinc/67/76/22/893677622.db2.gz ZECSBCGGGYVJCR-UWVGGRQHSA-N 0 3 293.389 -1.239 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)c1ccc(=O)n(C)n1 ZINC001498445574 893678724 /nfs/dbraw/zinc/67/87/24/893678724.db2.gz SWXQXPMCAAOVQE-VIFPVBQESA-N 0 3 268.317 -1.177 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CN1CC(=O)N(C)C1=O ZINC001498427658 893679020 /nfs/dbraw/zinc/67/90/20/893679020.db2.gz XQTWRJXKVLNWHI-VIFPVBQESA-N 0 3 286.332 -1.691 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001498401058 893679169 /nfs/dbraw/zinc/67/91/69/893679169.db2.gz VMASLQFIGRRBIW-VHSXEESVSA-N 0 3 287.360 -1.304 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001498397608 893679747 /nfs/dbraw/zinc/67/97/47/893679747.db2.gz AALHVHYHEYKFJC-SECBINFHSA-N 0 3 295.405 -1.257 20 0 CAADHN CCCN(C)CC(=O)NCC1CN(C(=O)CNC(N)=O)C1 ZINC001498638110 893684207 /nfs/dbraw/zinc/68/42/07/893684207.db2.gz QOJKQVLQZVVKEX-UHFFFAOYSA-N 0 3 299.375 -1.429 20 0 CAADHN CN(CCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1nc[n-]n1 ZINC001498628597 893685470 /nfs/dbraw/zinc/68/54/70/893685470.db2.gz YUSVBBUWLAHVDU-MRVPVSSYSA-N 0 3 294.315 -1.338 20 0 CAADHN Cc1cc(NC(=O)CNCCCN(C)C(=O)C(N)=O)on1 ZINC001498606114 893685686 /nfs/dbraw/zinc/68/56/86/893685686.db2.gz WLOMGRJQZRCPCK-UHFFFAOYSA-N 0 3 297.315 -1.155 20 0 CAADHN CC(C)N(C)CC(=O)NCC1CN(C(=O)C(N)=O)C1 ZINC001498588647 893685755 /nfs/dbraw/zinc/68/57/55/893685755.db2.gz IBFRRYCQUZJVNU-UHFFFAOYSA-N 0 3 270.333 -1.614 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1CC1 ZINC001498800595 893689537 /nfs/dbraw/zinc/68/95/37/893689537.db2.gz AEEVUXXVJHEAKQ-WCBMZHEXSA-N 0 3 284.360 -1.272 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001498782517 893689597 /nfs/dbraw/zinc/68/95/97/893689597.db2.gz HVTAXDKXIYLLJX-NWDGAFQWSA-N 0 3 298.387 -1.323 20 0 CAADHN CCN1C[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)CC1=O ZINC001498769771 893690172 /nfs/dbraw/zinc/69/01/72/893690172.db2.gz OAEDYBCWQPHXQG-WDEREUQCSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](C(=O)N[C@H](CNCC(N)=O)C1CC1)S(C)(=O)=O ZINC001498781818 893690279 /nfs/dbraw/zinc/69/02/79/893690279.db2.gz QYJIFDQHZNHHOZ-VXNVDRBHSA-N 0 3 291.373 -1.611 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001498772357 893690322 /nfs/dbraw/zinc/69/03/22/893690322.db2.gz DEWYZPBDEZQEPQ-VIFPVBQESA-N 0 3 279.300 -1.235 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](NC(=O)C(F)F)C1CC1 ZINC001498716524 893690774 /nfs/dbraw/zinc/69/07/74/893690774.db2.gz JPVONSYKKQUXPJ-ZCFIWIBFSA-N 0 3 278.259 -1.069 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001498782520 893690826 /nfs/dbraw/zinc/69/08/26/893690826.db2.gz HVTAXDKXIYLLJX-VXGBXAGGSA-N 0 3 298.387 -1.323 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)c1cc[n+]([O-])cc1)C1CC1 ZINC001498725011 893690893 /nfs/dbraw/zinc/69/08/93/893690893.db2.gz OFDMCIWXJMRFAM-NSHDSACASA-N 0 3 278.312 -1.097 20 0 CAADHN CS(=O)(=O)CCNC[C@H](NC(=O)CC(N)=O)C1CC1 ZINC001498739066 893690922 /nfs/dbraw/zinc/69/09/22/893690922.db2.gz OHNIBCKEHFLYOY-VIFPVBQESA-N 0 3 291.373 -1.609 20 0 CAADHN C[C@H](C(=O)N[C@@H](CNCC(N)=O)C1CC1)S(C)(=O)=O ZINC001498781813 893690995 /nfs/dbraw/zinc/69/09/95/893690995.db2.gz QYJIFDQHZNHHOZ-APPZFPTMSA-N 0 3 291.373 -1.611 20 0 CAADHN Cn1nnnc1CNC[C@H](NC(=O)c1ncn[nH]1)C1CC1 ZINC001498846300 893692378 /nfs/dbraw/zinc/69/23/78/893692378.db2.gz XZXBIPIJAVOUJI-QMMMGPOBSA-N 0 3 291.319 -1.374 20 0 CAADHN Cn1nnnc1CNC[C@H](NC(=O)c1nc[nH]n1)C1CC1 ZINC001498846300 893692389 /nfs/dbraw/zinc/69/23/89/893692389.db2.gz XZXBIPIJAVOUJI-QMMMGPOBSA-N 0 3 291.319 -1.374 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@H](NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001498847878 893692896 /nfs/dbraw/zinc/69/28/96/893692896.db2.gz CFUJRXQKBPTHMW-JTQLQIEISA-N 0 3 294.359 -1.080 20 0 CAADHN Cn1cccc(C(=O)N[C@H](CNCC(N)=O)C2CC2)c1=O ZINC001498861536 893693254 /nfs/dbraw/zinc/69/32/54/893693254.db2.gz VQSDNMDSNOIJJX-LLVKDONJSA-N 0 3 292.339 -1.031 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001498801425 893694154 /nfs/dbraw/zinc/69/41/54/893694154.db2.gz GUKGTBTWOGIEGR-WDEREUQCSA-N 0 3 296.371 -1.305 20 0 CAADHN CC(C)CNC(=O)CNC[C@H](NC(=O)C(N)=O)C1CC1 ZINC001498818972 893694708 /nfs/dbraw/zinc/69/47/08/893694708.db2.gz REUPVMMFVKTHDQ-JTQLQIEISA-N 0 3 284.360 -1.272 20 0 CAADHN CCCN1CC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001499072810 893706904 /nfs/dbraw/zinc/70/69/04/893706904.db2.gz QSJBHJDNUQDKCT-JTQLQIEISA-N 0 3 292.405 -1.017 20 0 CAADHN CN1CCC[C@@H]1C(=O)NCC1(NCC(N)=O)CC1 ZINC001499183395 893708265 /nfs/dbraw/zinc/70/82/65/893708265.db2.gz BSOWUZIBISKSON-SECBINFHSA-N 0 3 254.334 -1.196 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@@H]2CC(=O)N(C)C2)CC1)C(N)=O ZINC001499241534 893712863 /nfs/dbraw/zinc/71/28/63/893712863.db2.gz ZOYGPZLYUAFWNI-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@H]2CCNC2=O)CC1)C(N)=O ZINC001499310527 893712976 /nfs/dbraw/zinc/71/29/76/893712976.db2.gz NGTBHGJKSTWZTG-IUCAKERBSA-N 0 3 282.344 -1.375 20 0 CAADHN Cn1nnc(C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)n1 ZINC001499319351 893714861 /nfs/dbraw/zinc/71/48/61/893714861.db2.gz YXRJAHGYPWRXIR-MRVPVSSYSA-N 0 3 293.331 -1.659 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@@H]2CC(=O)N(C)C2)CC1)C(N)=O ZINC001499241531 893715102 /nfs/dbraw/zinc/71/51/02/893715102.db2.gz ZOYGPZLYUAFWNI-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@H]2CC(=O)N(C)C2)CC1)C(N)=O ZINC001499241533 893715295 /nfs/dbraw/zinc/71/52/95/893715295.db2.gz ZOYGPZLYUAFWNI-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN O=C(NCC1(N[C@@H]2CCCNC2=O)CC1)[C@H]1CNC(=O)N1 ZINC001499335148 893717016 /nfs/dbraw/zinc/71/70/16/893717016.db2.gz NEDXMOLHWYMWHL-RKDXNWHRSA-N 0 3 295.343 -1.815 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@H]2CNC(=O)N2)CC1)C(N)=O ZINC001499335013 893717343 /nfs/dbraw/zinc/71/73/43/893717343.db2.gz MIHVSXUUMXDWMB-HTQZYQBOSA-N 0 3 283.332 -1.830 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1)C(N)=O ZINC001499335015 893717948 /nfs/dbraw/zinc/71/79/48/893717948.db2.gz MIHVSXUUMXDWMB-SFYZADRCSA-N 0 3 283.332 -1.830 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@@H]2CNC(=O)N2)CC1)C(N)=O ZINC001499335016 893718167 /nfs/dbraw/zinc/71/81/67/893718167.db2.gz MIHVSXUUMXDWMB-YUMQZZPRSA-N 0 3 283.332 -1.830 20 0 CAADHN CC[C@H](NC1(CNC(=O)CCNC(N)=O)CC1)C(N)=O ZINC001499441915 893718834 /nfs/dbraw/zinc/71/88/34/893718834.db2.gz FRUJTVRJZXEFRI-QMMMGPOBSA-N 0 3 285.348 -1.453 20 0 CAADHN COC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(N)=O ZINC001499501533 893722241 /nfs/dbraw/zinc/72/22/41/893722241.db2.gz GTSXETXHGAIQAB-WOPDTQHZSA-N 0 3 299.371 -1.066 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@@H]2CNCC(N)=O)n1 ZINC001499891536 893724632 /nfs/dbraw/zinc/72/46/32/893724632.db2.gz BBFPBDBCIWKGFO-MRVPVSSYSA-N 0 3 266.305 -1.505 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)COCCOC ZINC001499882061 893724779 /nfs/dbraw/zinc/72/47/79/893724779.db2.gz CTCYXXQXSHJFIA-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)CS(C)(=O)=O)C(N)=O ZINC001499877000 893724971 /nfs/dbraw/zinc/72/49/71/893724971.db2.gz BXWJXVZOBLIVGZ-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)c1cnn(C)c1N ZINC001499887214 893725331 /nfs/dbraw/zinc/72/53/31/893725331.db2.gz HQHQFUCBJWXHHY-VIFPVBQESA-N 0 3 294.359 -1.058 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001499869281 893725397 /nfs/dbraw/zinc/72/53/97/893725397.db2.gz KUCWVYLYFPBFEW-SCZZXKLOSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1CN[C@H](C)C(N)=O ZINC001499875287 893725477 /nfs/dbraw/zinc/72/54/77/893725477.db2.gz YUJVWJJROMLKNF-KOLCDFICSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CNC(C)=O ZINC001499865819 893725724 /nfs/dbraw/zinc/72/57/24/893725724.db2.gz ABCHSFJASPKNEI-JTQLQIEISA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)COCCOC ZINC001499882060 893726466 /nfs/dbraw/zinc/72/64/66/893726466.db2.gz CTCYXXQXSHJFIA-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@@H]2CNCC(N)=O)n1 ZINC001499935016 893727954 /nfs/dbraw/zinc/72/79/54/893727954.db2.gz RADFAVMQUOWSRS-MRVPVSSYSA-N 0 3 266.305 -1.505 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001499915602 893728018 /nfs/dbraw/zinc/72/80/18/893728018.db2.gz GCBPMRIFUUTDHE-BDAKNGLRSA-N 0 3 295.347 -1.461 20 0 CAADHN CN(C(=O)CNC[C@@H]1CCCN1C(=O)C(N)=O)C1CC1 ZINC001499921564 893728125 /nfs/dbraw/zinc/72/81/25/893728125.db2.gz VZKYWFTXNNOBSK-JTQLQIEISA-N 0 3 282.344 -1.327 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001499952875 893728274 /nfs/dbraw/zinc/72/82/74/893728274.db2.gz MEHAZSNHXQCVAS-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001499920455 893729051 /nfs/dbraw/zinc/72/90/51/893729051.db2.gz FXGOPKBLSACYQW-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001499944691 893729657 /nfs/dbraw/zinc/72/96/57/893729657.db2.gz OWPNWGDCMQOYBW-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001499920454 893729915 /nfs/dbraw/zinc/72/99/15/893729915.db2.gz FXGOPKBLSACYQW-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)Cn1ncnn1)C1CCCC1 ZINC001500090238 893731816 /nfs/dbraw/zinc/73/18/16/893731816.db2.gz ZSWPAKRFBDZQIV-SNVBAGLBSA-N 0 3 295.347 -1.577 20 0 CAADHN COCCN1CC[C@@](C)(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001500227703 893733533 /nfs/dbraw/zinc/73/35/33/893733533.db2.gz MVJDHBPJMCNUBS-TVQRCGJNSA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@]1(C[NH2+]CC(N)=O)CCN(C(=O)c2cn[n-]n2)C1 ZINC001500359954 893736270 /nfs/dbraw/zinc/73/62/70/893736270.db2.gz GSBDCOQAYKNLTO-LLVKDONJSA-N 0 3 266.305 -1.268 20 0 CAADHN C[C@@]1(CNC(=O)C(N)=O)CCCN(CCn2cncn2)C1 ZINC001500519059 893737294 /nfs/dbraw/zinc/73/72/94/893737294.db2.gz JQIVLPNCLFKZRM-ZDUSSCGKSA-N 0 3 294.359 -1.018 20 0 CAADHN Cn1ncc(C(=O)NCC2(NCC(N)=O)CCOCC2)n1 ZINC001500589856 893739524 /nfs/dbraw/zinc/73/95/24/893739524.db2.gz RTVCHHQMYLVUKQ-UHFFFAOYSA-N 0 3 296.331 -1.831 20 0 CAADHN COCCOC[C@H](O)CN1CC[C@@](O)(CNC(C)=O)C1 ZINC001500620795 893740348 /nfs/dbraw/zinc/74/03/48/893740348.db2.gz PJJVOWGHHZSOIN-CHWSQXEVSA-N 0 3 290.360 -1.417 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCOCCO)C1)C(F)F ZINC001500621505 893740897 /nfs/dbraw/zinc/74/08/97/893740897.db2.gz WJHKBFMTSFJVHT-LLVKDONJSA-N 0 3 282.287 -1.187 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001500631052 893742101 /nfs/dbraw/zinc/74/21/01/893742101.db2.gz HLGVVBAAINEPMU-CQSZACIVSA-N 0 3 299.371 -1.192 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001500670087 893744813 /nfs/dbraw/zinc/74/48/13/893744813.db2.gz HNJXYTZVNWNHRD-GFCCVEGCSA-N 0 3 288.348 -2.149 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1csnn1 ZINC001500705597 893744935 /nfs/dbraw/zinc/74/49/35/893744935.db2.gz ZGCVPUYKKAMUFH-SNVBAGLBSA-N 0 3 272.330 -1.303 20 0 CAADHN O=C(C[C@H]1COC(=O)C1)NC[C@]1(O)CCN(CCO)C1 ZINC001500662269 893745728 /nfs/dbraw/zinc/74/57/28/893745728.db2.gz AAZDQJPSOULIOV-ZWNOBZJWSA-N 0 3 286.328 -1.515 20 0 CAADHN C[C@@]1(C(=O)NC[C@@]2(O)CCN(CCO)C2)CCNC(=O)C1 ZINC001500692804 893746064 /nfs/dbraw/zinc/74/60/64/893746064.db2.gz MIXJPCYRBRAXFI-KGLIPLIRSA-N 0 3 299.371 -1.552 20 0 CAADHN O=C(C[C@@H]1COC(=O)C1)NC[C@]1(O)CCN(CCO)C1 ZINC001500662267 893746456 /nfs/dbraw/zinc/74/64/56/893746456.db2.gz AAZDQJPSOULIOV-GXFFZTMASA-N 0 3 286.328 -1.515 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001500666006 893746602 /nfs/dbraw/zinc/74/66/02/893746602.db2.gz CRGBATNPZCEDIJ-CQSZACIVSA-N 0 3 299.371 -1.336 20 0 CAADHN O=C(C[C@@H]1COC(=O)C1)NC[C@@]1(O)CCN(CCO)C1 ZINC001500662266 893746629 /nfs/dbraw/zinc/74/66/29/893746629.db2.gz AAZDQJPSOULIOV-GWCFXTLKSA-N 0 3 286.328 -1.515 20 0 CAADHN C[C@]1(C(=O)NC[C@@]2(O)CCN(CCO)C2)CCNC(=O)C1 ZINC001500692803 893747303 /nfs/dbraw/zinc/74/73/03/893747303.db2.gz MIXJPCYRBRAXFI-KBPBESRZSA-N 0 3 299.371 -1.552 20 0 CAADHN NC(=O)C(=O)NC[C@]1(O)CCN(CCOCCO)C1 ZINC001500718223 893749518 /nfs/dbraw/zinc/74/95/18/893749518.db2.gz PEJASBBXILTRNK-LLVKDONJSA-N 0 3 275.305 -2.966 20 0 CAADHN CCCCOCCN1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001500717634 893751330 /nfs/dbraw/zinc/75/13/30/893751330.db2.gz CEQHKXQRCZENNK-ZDUSSCGKSA-N 0 3 287.360 -1.159 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCCO)C1)c1cnon1 ZINC001500739869 893752166 /nfs/dbraw/zinc/75/21/66/893752166.db2.gz DDTALRVVZQKXDU-NSHDSACASA-N 0 3 270.289 -1.381 20 0 CAADHN NC(=O)C(=O)NC[C@@]1(O)CCN(CCOCCO)C1 ZINC001500718224 893752714 /nfs/dbraw/zinc/75/27/14/893752714.db2.gz PEJASBBXILTRNK-NSHDSACASA-N 0 3 275.305 -2.966 20 0 CAADHN Cn1nccc1CCN1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001500717814 893753102 /nfs/dbraw/zinc/75/31/02/893753102.db2.gz GJYWKFUCNHALKG-ZDUSSCGKSA-N 0 3 295.343 -1.999 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001500750494 893753800 /nfs/dbraw/zinc/75/38/00/893753800.db2.gz FQQUUSODGFLRDY-NSHDSACASA-N 0 3 269.305 -2.108 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001500750494 893753807 /nfs/dbraw/zinc/75/38/07/893753807.db2.gz FQQUUSODGFLRDY-NSHDSACASA-N 0 3 269.305 -2.108 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001500706664 893753917 /nfs/dbraw/zinc/75/39/17/893753917.db2.gz LDQFJNFRWWDPBC-ZDUSSCGKSA-N 0 3 298.343 -1.412 20 0 CAADHN NC(=O)CCCCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001500750866 893754102 /nfs/dbraw/zinc/75/41/02/893754102.db2.gz LYTYOIAXHMBGQP-ZDUSSCGKSA-N 0 3 287.360 -1.423 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001500713938 893754640 /nfs/dbraw/zinc/75/46/40/893754640.db2.gz DZWJAKAZROLRJN-ZDUSSCGKSA-N 0 3 296.327 -1.350 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001500713938 893754646 /nfs/dbraw/zinc/75/46/46/893754646.db2.gz DZWJAKAZROLRJN-ZDUSSCGKSA-N 0 3 296.327 -1.350 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001500768937 893756016 /nfs/dbraw/zinc/75/60/16/893756016.db2.gz CRPUDSLTALCSCW-ZANVPECISA-N 0 3 299.327 -2.416 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001500768935 893756591 /nfs/dbraw/zinc/75/65/91/893756591.db2.gz CRPUDSLTALCSCW-RNCFNFMXSA-N 0 3 299.327 -2.416 20 0 CAADHN NC(=O)CCCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001500769735 893756849 /nfs/dbraw/zinc/75/68/49/893756849.db2.gz STOGOXFEBWKVQE-GFCCVEGCSA-N 0 3 273.333 -1.813 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NC[C@]1(O)CCN(CCO)C1 ZINC001500768934 893757163 /nfs/dbraw/zinc/75/71/63/893757163.db2.gz CRPUDSLTALCSCW-NOZJJQNGSA-N 0 3 299.327 -2.416 20 0 CAADHN CCN(CC)CC(=O)N(C)CCN(C)C(=O)C(N)=O ZINC001501162919 893779986 /nfs/dbraw/zinc/77/99/86/893779986.db2.gz CRONKQDJEYEZHQ-UHFFFAOYSA-N 0 3 272.349 -1.270 20 0 CAADHN C[C@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(N)=O)C2 ZINC001501170438 893780500 /nfs/dbraw/zinc/78/05/00/893780500.db2.gz VKVTXBYMTSVWHL-DOLQZWNJSA-N 0 3 282.344 -1.295 20 0 CAADHN CC(=O)NCCN1CCC(NCc2nnnn2C)CC1 ZINC001501245685 893781230 /nfs/dbraw/zinc/78/12/30/893781230.db2.gz SLOHJXMUINMUCV-UHFFFAOYSA-N 0 3 281.364 -1.100 20 0 CAADHN NC(=O)C(=O)N[C@]1(CO)CCCN(C[C@@H]2CCCOC2)C1 ZINC001501345767 893785022 /nfs/dbraw/zinc/78/50/22/893785022.db2.gz OTTBWPAJGJENDQ-SMDDNHRTSA-N 0 3 299.371 -1.159 20 0 CAADHN NC(=O)C(=O)N[C@@]1(CO)CCCN(C[C@H]2CCCOC2)C1 ZINC001501345766 893787212 /nfs/dbraw/zinc/78/72/12/893787212.db2.gz OTTBWPAJGJENDQ-RISCZKNCSA-N 0 3 299.371 -1.159 20 0 CAADHN COCC(=O)NC[C@@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001501384844 893791181 /nfs/dbraw/zinc/79/11/81/893791181.db2.gz VZOGWBDLLHCBIV-ZYHUDNBSSA-N 0 3 289.376 -1.188 20 0 CAADHN O=C(c1ccccn1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501430930 893794313 /nfs/dbraw/zinc/79/43/13/893794313.db2.gz LMYKDJZFYWSKOM-LLVKDONJSA-N 0 3 292.339 -1.006 20 0 CAADHN CCC(=O)N(CCO)CCNCC(=O)N1CCOCC1 ZINC001501427549 893794702 /nfs/dbraw/zinc/79/47/02/893794702.db2.gz RILMLPYPSJGFLA-UHFFFAOYSA-N 0 3 287.360 -1.334 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C[C@@H]1CCOC1 ZINC001501445289 893795887 /nfs/dbraw/zinc/79/58/87/893795887.db2.gz CODRDBSDCCUJDO-JTQLQIEISA-N 0 3 273.333 -1.691 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cc[nH]n1)C(=O)N(C)C ZINC001501439588 893796009 /nfs/dbraw/zinc/79/60/09/893796009.db2.gz MDLOYLXYYDUTSR-SNVBAGLBSA-N 0 3 297.359 -1.090 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)c2cn[nH]c2)C1=O ZINC001501439386 893796383 /nfs/dbraw/zinc/79/63/83/893796383.db2.gz FYJNJGNEHKQVFQ-LLVKDONJSA-N 0 3 295.343 -1.336 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)n(C)n1 ZINC001501441309 893796470 /nfs/dbraw/zinc/79/64/70/893796470.db2.gz GIXRRUNUDHHCJX-SNVBAGLBSA-N 0 3 297.359 -1.374 20 0 CAADHN O=C(CNCCN(CCO)C(=O)c1cc[nH]n1)N1CCC1 ZINC001501439802 893796505 /nfs/dbraw/zinc/79/65/05/893796505.db2.gz TUAPGCJQTXLCEJ-UHFFFAOYSA-N 0 3 295.343 -1.334 20 0 CAADHN Cc1ccc(C(=O)N(CCO)CCNCC(N)=O)n1C ZINC001501436821 893797167 /nfs/dbraw/zinc/79/71/67/893797167.db2.gz JVOJQXGLHAVUNL-UHFFFAOYSA-N 0 3 282.344 -1.157 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNC(=O)[C@@H](C)OC)N(C)C ZINC001501443607 893797268 /nfs/dbraw/zinc/79/72/68/893797268.db2.gz IUOIJDBEZNHDJM-GMTAPVOTSA-N 0 3 289.376 -1.045 20 0 CAADHN CCn1cc(C(=O)N(CCO)CCNCC(=O)NC)cn1 ZINC001501445385 893797306 /nfs/dbraw/zinc/79/73/06/893797306.db2.gz HEKKLSDHHHHAGL-UHFFFAOYSA-N 0 3 297.359 -1.327 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1ccon1 ZINC001501441208 893797424 /nfs/dbraw/zinc/79/74/24/893797424.db2.gz DTVJXMKCEZAERV-UHFFFAOYSA-N 0 3 256.262 -1.816 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)Cn1cnnn1 ZINC001501436582 893797515 /nfs/dbraw/zinc/79/75/15/893797515.db2.gz ASCWDVSRLLQGDX-UHFFFAOYSA-N 0 3 285.308 -3.170 20 0 CAADHN O=C(Cn1cnnn1)N(CCO)CCN[C@H]1CCNC1=O ZINC001501436682 893797548 /nfs/dbraw/zinc/79/75/48/893797548.db2.gz DSTWDCKPXIHREB-VIFPVBQESA-N 0 3 297.319 -3.028 20 0 CAADHN CC1(C)C[C@@H]1C(=O)N(CCO)CCNCC(N)=O ZINC001501450105 893799327 /nfs/dbraw/zinc/79/93/27/893799327.db2.gz FKUVRXLSBAHXLR-SECBINFHSA-N 0 3 257.334 -1.072 20 0 CAADHN Cn1nncc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001501455202 893800103 /nfs/dbraw/zinc/80/01/03/893800103.db2.gz NFRXQJRRICORSS-VIFPVBQESA-N 0 3 296.331 -2.272 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)Cc1ccon1 ZINC001501445887 893800415 /nfs/dbraw/zinc/80/04/15/893800415.db2.gz YGIWCNJSAWGOGY-UHFFFAOYSA-N 0 3 298.343 -1.284 20 0 CAADHN O=C([C@@H]1CC1(F)F)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501455048 893800729 /nfs/dbraw/zinc/80/07/29/893800729.db2.gz ICMZMUXBBMPABD-DTWKUNHWSA-N 0 3 291.298 -1.059 20 0 CAADHN CCn1ccnc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001501453976 893801736 /nfs/dbraw/zinc/80/17/36/893801736.db2.gz OCLMMGBMXBRWMV-JTQLQIEISA-N 0 3 297.359 -1.199 20 0 CAADHN O=C([C@@H]1CC1(F)F)N(CCO)CCN[C@H]1CCNC1=O ZINC001501455049 893802328 /nfs/dbraw/zinc/80/23/28/893802328.db2.gz ICMZMUXBBMPABD-IUCAKERBSA-N 0 3 291.298 -1.059 20 0 CAADHN Cn1cc(C(=O)N(CCO)CCNCC(N)=O)nn1 ZINC001501455428 893802028 /nfs/dbraw/zinc/80/20/28/893802028.db2.gz VXWFPINENRIEOA-UHFFFAOYSA-N 0 3 270.293 -2.676 20 0 CAADHN CCn1ccnc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001501453978 893802058 /nfs/dbraw/zinc/80/20/58/893802058.db2.gz OCLMMGBMXBRWMV-SNVBAGLBSA-N 0 3 297.359 -1.199 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cncn1C)C(N)=O ZINC001501472483 893802668 /nfs/dbraw/zinc/80/26/68/893802668.db2.gz LNRINUXIKOIGQM-VIFPVBQESA-N 0 3 283.332 -1.682 20 0 CAADHN Cc1n[nH]cc1C(=O)N(CCO)CCNCC(=O)N(C)C ZINC001501479893 893803028 /nfs/dbraw/zinc/80/30/28/893803028.db2.gz CPGZKZFGBZJLAL-UHFFFAOYSA-N 0 3 297.359 -1.170 20 0 CAADHN COCC[NH2+]CCN(CCO)C(=O)c1cnc[n-]c1=O ZINC001501463732 893803125 /nfs/dbraw/zinc/80/31/25/893803125.db2.gz GMAZAXOAXNPRCG-UHFFFAOYSA-N 0 3 284.316 -1.147 20 0 CAADHN CCc1n[nH]cc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001501469545 893804230 /nfs/dbraw/zinc/80/42/30/893804230.db2.gz OHXFJYLVOZDABP-VIFPVBQESA-N 0 3 297.359 -1.130 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)Cc1cncs1 ZINC001501463866 893804858 /nfs/dbraw/zinc/80/48/58/893804858.db2.gz LNCKTKDZXKHFAN-UHFFFAOYSA-N 0 3 286.357 -1.419 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1CO[C@@H](C)C1 ZINC001501469737 893804996 /nfs/dbraw/zinc/80/49/96/893804996.db2.gz UQAYPJVLWGINBD-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN Cc1cncn1CC(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001501474841 893805697 /nfs/dbraw/zinc/80/56/97/893805697.db2.gz NAEUWZNUEQUYCE-NSHDSACASA-N 0 3 297.359 -1.524 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1ncc[nH]1 ZINC001501458324 893805935 /nfs/dbraw/zinc/80/59/35/893805935.db2.gz YJAGDLZEJZWNHJ-UHFFFAOYSA-N 0 3 283.332 -1.478 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@]12C[C@H]1COC2 ZINC001501459668 893806015 /nfs/dbraw/zinc/80/60/15/893806015.db2.gz YABAQJRNMVZOHH-CABZTGNLSA-N 0 3 271.317 -2.081 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@H]1CCCC(=O)N1 ZINC001501464185 893806198 /nfs/dbraw/zinc/80/61/98/893806198.db2.gz SROSXDUBFZOSDS-SECBINFHSA-N 0 3 286.332 -2.449 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001501482233 893808298 /nfs/dbraw/zinc/80/82/98/893808298.db2.gz OCFSCPXHQNJPKO-QMMMGPOBSA-N 0 3 299.331 -1.976 20 0 CAADHN Cn1nnc(C(=O)N(CCO)CCNC/C=C\Cl)n1 ZINC001501481708 893808661 /nfs/dbraw/zinc/80/86/61/893808661.db2.gz FDOXYZAQQJVISF-IHWYPQMZSA-N 0 3 288.739 -1.013 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cc1cnc[nH]1)C(N)=O ZINC001501496844 893808976 /nfs/dbraw/zinc/80/89/76/893808976.db2.gz JNYAFDKIIAPHSK-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN O=C([C@H]1CCNC1=O)N(CCO)CCNCCF ZINC001501480805 893809867 /nfs/dbraw/zinc/80/98/67/893809867.db2.gz VUQYJLOBSPMOMO-VIFPVBQESA-N 0 3 261.297 -1.498 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1[nH]c(C)nc1C ZINC001501492954 893810918 /nfs/dbraw/zinc/81/09/18/893810918.db2.gz OFOJYYPTBYZGRF-UHFFFAOYSA-N 0 3 297.359 -1.203 20 0 CAADHN Cn1nc(C(=O)N(CCO)CCNCC(N)=O)ccc1=O ZINC001501511464 893811374 /nfs/dbraw/zinc/81/13/74/893811374.db2.gz QYSXUAOWWALALZ-UHFFFAOYSA-N 0 3 297.315 -2.710 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1ncccn1 ZINC001501500953 893811530 /nfs/dbraw/zinc/81/15/30/893811530.db2.gz JOURKXBFIKRRRQ-UHFFFAOYSA-N 0 3 267.289 -2.014 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1nonc1C)C(N)=O ZINC001501518747 893811841 /nfs/dbraw/zinc/81/18/41/893811841.db2.gz NHLLMQWKSYXKKE-SECBINFHSA-N 0 3 299.331 -1.334 20 0 CAADHN O=C(CNCCN(CCO)C(=O)c1cnon1)NC1CC1 ZINC001501500809 893811927 /nfs/dbraw/zinc/81/19/27/893811927.db2.gz CIOVGXFVPFAUQK-UHFFFAOYSA-N 0 3 297.315 -1.628 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC001501505797 893813261 /nfs/dbraw/zinc/81/32/61/893813261.db2.gz CJLQCJGCNRMHIT-SMDDNHRTSA-N 0 3 299.371 -1.431 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C[C@@H]1CCCOC1 ZINC001501514356 893813521 /nfs/dbraw/zinc/81/35/21/893813521.db2.gz ITTHICLTOAXOEJ-NSHDSACASA-N 0 3 287.360 -1.301 20 0 CAADHN Cc1nc[nH]c1C(=O)N(CCO)CCNCC(N)=O ZINC001501521757 893814038 /nfs/dbraw/zinc/81/40/38/893814038.db2.gz NFCQNIICDLTSIR-UHFFFAOYSA-N 0 3 269.305 -1.772 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1C[C@@]12CCOC2 ZINC001501505794 893814753 /nfs/dbraw/zinc/81/47/53/893814753.db2.gz CJLQCJGCNRMHIT-BXUZGUMPSA-N 0 3 299.371 -1.431 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@@H]2COCCN2CC(N)=O)C1 ZINC001501827774 893824337 /nfs/dbraw/zinc/82/43/37/893824337.db2.gz RYBKAOCDJSLYQT-VXGBXAGGSA-N 0 3 298.387 -1.370 20 0 CAADHN CNC(=O)CNC1(CNC(=O)c2cnn(C)n2)CCC1 ZINC001502008964 893829108 /nfs/dbraw/zinc/82/91/08/893829108.db2.gz USONJZKGTVGMPE-UHFFFAOYSA-N 0 3 280.332 -1.197 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CCCNC2=O)CCC1 ZINC001501964458 893829503 /nfs/dbraw/zinc/82/95/03/893829503.db2.gz SRUYARDYPTWKRK-SNVBAGLBSA-N 0 3 296.371 -1.113 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CCNC2=O)CCC1 ZINC001501988576 893830061 /nfs/dbraw/zinc/83/00/61/893830061.db2.gz MBOHTDIHAXWZMM-QMMMGPOBSA-N 0 3 268.317 -1.764 20 0 CAADHN CN1CC[C@H](CC(=O)NCC2(NCC(N)=O)CCC2)C1=O ZINC001501966544 893830920 /nfs/dbraw/zinc/83/09/20/893830920.db2.gz KSDVDUWKZWPMJW-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 ZINC001501946995 893831009 /nfs/dbraw/zinc/83/10/09/893831009.db2.gz QJGHUQOGEFHPKN-VIFPVBQESA-N 0 3 298.343 -1.189 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 ZINC001501925641 893832142 /nfs/dbraw/zinc/83/21/42/893832142.db2.gz TZVWSKFZEWWGCZ-SNVBAGLBSA-N 0 3 296.371 -1.018 20 0 CAADHN CS(=O)(=O)CCCNC1(CNC(=O)C(N)=O)CCC1 ZINC001501996275 893832376 /nfs/dbraw/zinc/83/23/76/893832376.db2.gz ZFOHSQBZGJWNIH-UHFFFAOYSA-N 0 3 291.373 -1.465 20 0 CAADHN CCOCC(=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001502035666 893832945 /nfs/dbraw/zinc/83/29/45/893832945.db2.gz FELJZAKETSMISH-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1)C(N)=O ZINC001502046783 893834097 /nfs/dbraw/zinc/83/40/97/893834097.db2.gz ZIYOXQLBORJOAF-GXSJLCMTSA-N 0 3 295.343 -1.357 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)Cc2ccon2)CCO1 ZINC001502045804 893834129 /nfs/dbraw/zinc/83/41/29/893834129.db2.gz HJXCWLUKDJPYQW-NSHDSACASA-N 0 3 296.327 -1.220 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)C2CC2)CCO1)C(=O)NC(N)=O ZINC001502034244 893835016 /nfs/dbraw/zinc/83/50/16/893835016.db2.gz UWSIJADPFDWGIX-WPRPVWTQSA-N 0 3 298.343 -1.203 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001502041682 893835138 /nfs/dbraw/zinc/83/51/38/893835138.db2.gz PYDAUZCAVYXAQC-VIFPVBQESA-N 0 3 267.289 -1.674 20 0 CAADHN CCOCC(=O)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001502035663 893835218 /nfs/dbraw/zinc/83/52/18/893835218.db2.gz FELJZAKETSMISH-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2ccon2)CCO1)C(N)=O ZINC001502042030 893835674 /nfs/dbraw/zinc/83/56/74/893835674.db2.gz WVZOWSOFBPVULP-DTWKUNHWSA-N 0 3 282.300 -1.021 20 0 CAADHN CC(=O)N1CCO[C@H](CNCC(=O)NC[C@H]2CCOC2)C1 ZINC001502034047 893836205 /nfs/dbraw/zinc/83/62/05/893836205.db2.gz QILDCJSFUHDRRX-CHWSQXEVSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cnns2)CCO1)C(N)=O ZINC001502042138 893836363 /nfs/dbraw/zinc/83/63/63/893836363.db2.gz YGILNWQEKNCNFS-YUMQZZPRSA-N 0 3 299.356 -1.158 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2ncn(C)n2)CCO1)C(N)=O ZINC001502051467 893836739 /nfs/dbraw/zinc/83/67/39/893836739.db2.gz PTYVCYZGKHSGKP-IUCAKERBSA-N 0 3 296.331 -1.881 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCO1 ZINC001502036788 893836800 /nfs/dbraw/zinc/83/68/00/893836800.db2.gz VVPHZNBWPSQUMD-NSHDSACASA-N 0 3 294.311 -1.764 20 0 CAADHN CCO[C@H](C)C(=O)N1CCO[C@H](CNCC(=O)NC)C1 ZINC001502037864 893836925 /nfs/dbraw/zinc/83/69/25/893836925.db2.gz AHMZDRGKLCHXER-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2cscn2)CCO1 ZINC001502080661 893838106 /nfs/dbraw/zinc/83/81/06/893838106.db2.gz BKRPENCYIZHPDU-JTQLQIEISA-N 0 3 298.368 -1.012 20 0 CAADHN CO[C@@H](C(=O)N1CCO[C@H](CNCC(N)=O)C1)C(C)C ZINC001502074611 893838151 /nfs/dbraw/zinc/83/81/51/893838151.db2.gz KWRGWRUTOOUWFM-ZYHUDNBSSA-N 0 3 287.360 -1.040 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001502062623 893838194 /nfs/dbraw/zinc/83/81/94/893838194.db2.gz RQGZKLBCFXMNBN-SECBINFHSA-N 0 3 296.331 -1.629 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001502068807 893838263 /nfs/dbraw/zinc/83/82/63/893838263.db2.gz JRNOUDTVZQRUSC-OPRDCNLKSA-N 0 3 255.318 -1.055 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1)C(N)=O ZINC001502072581 893838432 /nfs/dbraw/zinc/83/84/32/893838432.db2.gz QHCSAGFUDCBYTE-RNWYCLNJSA-N 0 3 297.355 -1.430 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1)C(N)=O ZINC001502072580 893839431 /nfs/dbraw/zinc/83/94/31/893839431.db2.gz QHCSAGFUDCBYTE-LVEVGFFFSA-N 0 3 297.355 -1.430 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001502096753 893839882 /nfs/dbraw/zinc/83/98/82/893839882.db2.gz DLSOCHHKEPUGQR-SNVBAGLBSA-N 0 3 281.316 -1.815 20 0 CAADHN Cc1nccn1CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001502092065 893840051 /nfs/dbraw/zinc/84/00/51/893840051.db2.gz HMQQDMZLXRYSGQ-NSHDSACASA-N 0 3 295.343 -1.506 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cnon2)CCO1)C(N)=O ZINC001502082595 893840203 /nfs/dbraw/zinc/84/02/03/893840203.db2.gz JEHWITORQLTPGE-YUMQZZPRSA-N 0 3 283.288 -1.626 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2c[nH]nc2C)CCO1 ZINC001502069396 893840522 /nfs/dbraw/zinc/84/05/22/893840522.db2.gz WJHJQIDAADCZNW-JTQLQIEISA-N 0 3 295.343 -1.105 20 0 CAADHN COC[C@@H](OC)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001502077440 893840701 /nfs/dbraw/zinc/84/07/01/893840701.db2.gz WDQJYLFOOXLHGZ-NXEZZACHSA-N 0 3 289.332 -2.050 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H](CNCC(=O)NC2CC2)C1 ZINC001502074725 893840835 /nfs/dbraw/zinc/84/08/35/893840835.db2.gz MUAQREZKQAEBGL-VIFPVBQESA-N 0 3 284.316 -2.433 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001502062624 893841000 /nfs/dbraw/zinc/84/10/00/893841000.db2.gz RQGZKLBCFXMNBN-VIFPVBQESA-N 0 3 296.331 -1.629 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 ZINC001502082418 893841519 /nfs/dbraw/zinc/84/15/19/893841519.db2.gz GDLVUFZXRYGGKK-JTQLQIEISA-N 0 3 298.343 -2.185 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001502083451 893841643 /nfs/dbraw/zinc/84/16/43/893841643.db2.gz ZFYLPNFMEFDZTN-ZETCQYMHSA-N 0 3 269.261 -2.015 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CCn2ccnc2)CCO1 ZINC001502066918 893841874 /nfs/dbraw/zinc/84/18/74/893841874.db2.gz REGZNJSJQVVGGH-LLVKDONJSA-N 0 3 295.343 -1.425 20 0 CAADHN Cc1nccc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)n1 ZINC001502092368 893842010 /nfs/dbraw/zinc/84/20/10/893842010.db2.gz NJPCNUWVNPPRKM-JTQLQIEISA-N 0 3 293.327 -1.299 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)C(N)=O)CCO1)C(N)=O ZINC001502074384 893842084 /nfs/dbraw/zinc/84/20/84/893842084.db2.gz GCWWAJGGCSTAPT-RNFRBKRXSA-N 0 3 258.278 -2.838 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)C(N)=O ZINC001502369396 893843174 /nfs/dbraw/zinc/84/31/74/893843174.db2.gz JWKIFTASCJECDB-QMMMGPOBSA-N 0 3 258.322 -1.484 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)CNC(N)=O ZINC001502370090 893846123 /nfs/dbraw/zinc/84/61/23/893846123.db2.gz PVNJADLPMARQDA-SECBINFHSA-N 0 3 287.364 -1.384 20 0 CAADHN NC(=O)CN[C@]1(CO)CCCN(C(=O)c2ccn[nH]2)C1 ZINC001502556114 893849482 /nfs/dbraw/zinc/84/94/82/893849482.db2.gz ZFYZFMMTYLQEAU-GFCCVEGCSA-N 0 3 281.316 -1.548 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001502470770 893850168 /nfs/dbraw/zinc/85/01/68/893850168.db2.gz QMGNSKBHNQDTCK-NSHDSACASA-N 0 3 298.387 -1.227 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCOCC1 ZINC001502635509 893853723 /nfs/dbraw/zinc/85/37/23/893853723.db2.gz REPIGJDXJUIJTN-BDAKNGLRSA-N 0 3 298.343 -2.152 20 0 CAADHN NC(=O)CNCC1(NC(=O)CC(N)=O)CCOCC1 ZINC001502617058 893853854 /nfs/dbraw/zinc/85/38/54/893853854.db2.gz BZLCBTLQICLPIL-UHFFFAOYSA-N 0 3 272.305 -2.398 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2CCCO2)CCOCC1 ZINC001502612272 893854412 /nfs/dbraw/zinc/85/44/12/893854412.db2.gz SJCJBGPINHRWQS-SNVBAGLBSA-N 0 3 285.344 -1.094 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001502600694 893854582 /nfs/dbraw/zinc/85/45/82/893854582.db2.gz CFYGNTQVIBEODW-BBBLOLIVSA-N 0 3 299.375 -1.371 20 0 CAADHN Cn1nnc(C(=O)NC2(CNCC(N)=O)CCOCC2)n1 ZINC001502632623 893855395 /nfs/dbraw/zinc/85/53/95/893855395.db2.gz FECLYYXLPOSDMQ-UHFFFAOYSA-N 0 3 297.319 -2.436 20 0 CAADHN C[C@H](CNC(=O)CN1CCC[C@H]1C)NC(=O)C(N)=O ZINC001502604042 893855919 /nfs/dbraw/zinc/85/59/19/893855919.db2.gz JXNPMOFFFILSIC-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1NCC(N)=O ZINC001502748158 893857389 /nfs/dbraw/zinc/85/73/89/893857389.db2.gz OOFRJCFOTQJMNV-SCZZXKLOSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1NCC(N)=O ZINC001502724765 893857686 /nfs/dbraw/zinc/85/76/86/893857686.db2.gz PWBILLALNATSME-NKWVEPMBSA-N 0 3 292.286 -1.711 20 0 CAADHN C[C@H]1CN(C(=O)CCCn2cncn2)C[C@@H]1NCC(N)=O ZINC001502752295 893858541 /nfs/dbraw/zinc/85/85/41/893858541.db2.gz XNQJPMSQHGNKSD-QWRGUYRKSA-N 0 3 294.359 -1.020 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@@H](NCCF)C1 ZINC001502759696 893859245 /nfs/dbraw/zinc/85/92/45/893859245.db2.gz KSQGWPLEIBGZQM-BDAKNGLRSA-N 0 3 281.353 -1.058 20 0 CAADHN C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1NCC(=O)NC(N)=O ZINC001502701739 893859559 /nfs/dbraw/zinc/85/95/59/893859559.db2.gz SUXNLCOYJNEXSH-CBAPKCEASA-N 0 3 294.315 -1.345 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1C ZINC001502710464 893859955 /nfs/dbraw/zinc/85/99/55/893859955.db2.gz ZHFYODKBPZRZSP-WCBMZHEXSA-N 0 3 294.359 -1.202 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1C ZINC001502710465 893860389 /nfs/dbraw/zinc/86/03/89/893860389.db2.gz ZHFYODKBPZRZSP-WPRPVWTQSA-N 0 3 294.359 -1.202 20 0 CAADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1NCC(=O)N(C)C ZINC001502734847 893860739 /nfs/dbraw/zinc/86/07/39/893860739.db2.gz LSXODWRCEPRIAD-BDAKNGLRSA-N 0 3 295.347 -1.652 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001502852034 893862142 /nfs/dbraw/zinc/86/21/42/893862142.db2.gz IJFYIRBYIRCHOH-JTQLQIEISA-N 0 3 285.344 -1.406 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001502852218 893861954 /nfs/dbraw/zinc/86/19/54/893861954.db2.gz OZXRZXCVVXMFQI-LLVKDONJSA-N 0 3 299.371 -1.146 20 0 CAADHN CC(C)OCC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001502856280 893863783 /nfs/dbraw/zinc/86/37/83/893863783.db2.gz IXZWFZUIHURFRQ-UHFFFAOYSA-N 0 3 287.360 -1.160 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)CCOC)CC1 ZINC001502848721 893864310 /nfs/dbraw/zinc/86/43/10/893864310.db2.gz ZVGGCKKUAAPNLK-UHFFFAOYSA-N 0 3 287.360 -1.288 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)Cn2cnnn2)CC1 ZINC001503840378 893867275 /nfs/dbraw/zinc/86/72/75/893867275.db2.gz QEOPMCSYBMUXRB-SNVBAGLBSA-N 0 3 298.347 -2.003 20 0 CAADHN COCC(=O)NC1(CO)CCN(C[C@H](O)COC)CC1 ZINC001503764624 893870032 /nfs/dbraw/zinc/87/00/32/893870032.db2.gz UUOICSVTRLTFPS-NSHDSACASA-N 0 3 290.360 -1.417 20 0 CAADHN O=C(Cc1nc[nH]n1)NC1(CO)CCN(CCO)CC1 ZINC001505390789 893871249 /nfs/dbraw/zinc/87/12/49/893871249.db2.gz BTGXUKZMUZZTRR-UHFFFAOYSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC1(CO)CCN(CCO)CC1 ZINC001505385296 893871509 /nfs/dbraw/zinc/87/15/09/893871509.db2.gz FUPAGUMIPSITHY-JTQLQIEISA-N 0 3 287.360 -1.567 20 0 CAADHN C[C@H](C(=O)NC1(CO)CCN(CCO)CC1)n1cncn1 ZINC001503930946 893872743 /nfs/dbraw/zinc/87/27/43/893872743.db2.gz HCDZMSNMXVRVBK-LLVKDONJSA-N 0 3 297.359 -1.226 20 0 CAADHN COC[C@H](O)CN1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001505387565 893872915 /nfs/dbraw/zinc/87/29/15/893872915.db2.gz PUDNXHXLVGRCHK-SECBINFHSA-N 0 3 289.332 -2.578 20 0 CAADHN C[C@@H](C(=O)NC1(CO)CCN(CCO)CC1)n1cncn1 ZINC001503930953 893873355 /nfs/dbraw/zinc/87/33/55/893873355.db2.gz HCDZMSNMXVRVBK-NSHDSACASA-N 0 3 297.359 -1.226 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC1(CO)CCN(CCO)CC1 ZINC001505385297 893873660 /nfs/dbraw/zinc/87/36/60/893873660.db2.gz FUPAGUMIPSITHY-SNVBAGLBSA-N 0 3 287.360 -1.567 20 0 CAADHN NC(=O)C(=O)NC1(CO)CCN(CCn2cccn2)CC1 ZINC001505387652 893874745 /nfs/dbraw/zinc/87/47/45/893874745.db2.gz RHSSBUDDUSDACA-UHFFFAOYSA-N 0 3 295.343 -1.689 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cncnc1 ZINC001505591327 893879010 /nfs/dbraw/zinc/87/90/10/893879010.db2.gz HXNRGLQTUIUXMM-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001505561638 893879336 /nfs/dbraw/zinc/87/93/36/893879336.db2.gz MLQNKQKVNDARKP-SFYZADRCSA-N 0 3 258.322 -1.567 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001505561640 893881194 /nfs/dbraw/zinc/88/11/94/893881194.db2.gz MLQNKQKVNDARKP-YUMQZZPRSA-N 0 3 258.322 -1.567 20 0 CAADHN C[C@H](NC(=O)CCc1nnc[n-]1)[C@H](C)[NH2+]CC(N)=O ZINC001505581353 893881349 /nfs/dbraw/zinc/88/13/49/893881349.db2.gz IJTFNUFIJDVHIT-YUMQZZPRSA-N 0 3 268.321 -1.295 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N(C)C ZINC001505548137 893881666 /nfs/dbraw/zinc/88/16/66/893881666.db2.gz UKOLGMLYYPUXTA-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCn1ccnn1 ZINC001505597040 893881924 /nfs/dbraw/zinc/88/19/24/893881924.db2.gz ZIUMSMDTQXWVPO-IUCAKERBSA-N 0 3 268.321 -1.364 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N(C)C ZINC001505548136 893882632 /nfs/dbraw/zinc/88/26/32/893882632.db2.gz UKOLGMLYYPUXTA-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cnn(C)c1 ZINC001505554178 893882857 /nfs/dbraw/zinc/88/28/57/893882857.db2.gz JTXOMNRMYCDUME-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](NC(=O)CCc1nnc[n-]1)[C@@H](C)[NH2+]CC(N)=O ZINC001505581347 893882917 /nfs/dbraw/zinc/88/29/17/893882917.db2.gz IJTFNUFIJDVHIT-HTQZYQBOSA-N 0 3 268.321 -1.295 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CNC(=O)NC ZINC001505619171 893885169 /nfs/dbraw/zinc/88/51/69/893885169.db2.gz VRSBAHHMCKZGGK-DTWKUNHWSA-N 0 3 287.364 -1.466 20 0 CAADHN CCn1ncc(C(=O)N[C@@H](C)[C@H](C)NCC(N)=O)n1 ZINC001505599651 893886229 /nfs/dbraw/zinc/88/62/29/893886229.db2.gz PBUNPDGWXALQJC-YUMQZZPRSA-N 0 3 268.321 -1.120 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cnc2n1CCOC2 ZINC001505625624 893886293 /nfs/dbraw/zinc/88/62/93/893886293.db2.gz MCRJSMDHTUDIIC-BDAKNGLRSA-N 0 3 295.343 -1.005 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001505606667 893887055 /nfs/dbraw/zinc/88/70/55/893887055.db2.gz VODFEAFZNSQOBQ-DTWKUNHWSA-N 0 3 283.336 -1.708 20 0 CAADHN CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)CC(N)=O ZINC001505659237 893888366 /nfs/dbraw/zinc/88/83/66/893888366.db2.gz IVFRNRWCXHMFMR-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001505710465 893888656 /nfs/dbraw/zinc/88/86/56/893888656.db2.gz QRDKXABWTBBAAZ-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@H](C)NCC(N)=O ZINC001505710464 893889731 /nfs/dbraw/zinc/88/97/31/893889731.db2.gz QRDKXABWTBBAAZ-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCCS(C)(=O)=O ZINC001505710466 893889810 /nfs/dbraw/zinc/88/98/10/893889810.db2.gz QRDKXABWTBBAAZ-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001505710463 893890578 /nfs/dbraw/zinc/89/05/78/893890578.db2.gz QRDKXABWTBBAAZ-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1ccncn1 ZINC001505713503 893890615 /nfs/dbraw/zinc/89/06/15/893890615.db2.gz OMZRRSHSGVWVCK-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN CC(=O)NC[C@@H](C)N(C)CCN1C(=O)CNC1=O ZINC001505852034 893892934 /nfs/dbraw/zinc/89/29/34/893892934.db2.gz FOVJRGANPCRDEC-MRVPVSSYSA-N 0 3 256.306 -1.005 20 0 CAADHN C[C@@H](NCCF)[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001505760672 893893344 /nfs/dbraw/zinc/89/33/44/893893344.db2.gz NXLPELKVDQUXOU-SFYZADRCSA-N 0 3 286.311 -1.171 20 0 CAADHN C[C@H]1CCCN1CC(=O)N1CC[C@H]1CNC(=O)C(N)=O ZINC001505856846 893894205 /nfs/dbraw/zinc/89/42/05/893894205.db2.gz FIDQULAFWKSCGZ-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)CCNC(N)=O ZINC001505751228 893894887 /nfs/dbraw/zinc/89/48/87/893894887.db2.gz WXKBBWQTMRBVQV-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(=O)NC[C@H](C)N(C)C[C@H](O)CN1C(=O)CCC1=O ZINC001505852632 893896256 /nfs/dbraw/zinc/89/62/56/893896256.db2.gz SGCFMFXOQUVDLR-ONGXEEELSA-N 0 3 285.344 -1.047 20 0 CAADHN CC(=O)NC[C@H](C)N(C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001505852629 893896380 /nfs/dbraw/zinc/89/63/80/893896380.db2.gz SGCFMFXOQUVDLR-GXSJLCMTSA-N 0 3 285.344 -1.047 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)C(N)=O)N(C)C ZINC001505856650 893896481 /nfs/dbraw/zinc/89/64/81/893896481.db2.gz BBWQSYHXEMDVOD-BDAKNGLRSA-N 0 3 270.333 -1.471 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001505757510 893896571 /nfs/dbraw/zinc/89/65/71/893896571.db2.gz RJWSXMQMXDLCLA-IUCAKERBSA-N 0 3 293.389 -1.222 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)N(C)CCO ZINC001505914814 893905644 /nfs/dbraw/zinc/90/56/44/893905644.db2.gz QZTBXVFWTHXMJQ-VIFPVBQESA-N 0 3 260.338 -1.266 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001505939917 893907759 /nfs/dbraw/zinc/90/77/59/893907759.db2.gz RDQUMONXUWJVRD-UWVGGRQHSA-N 0 3 289.376 -1.058 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)CCOCCO ZINC001505912596 893908163 /nfs/dbraw/zinc/90/81/63/893908163.db2.gz LFIDVCXDZRJNHZ-UWVGGRQHSA-N 0 3 289.332 -1.460 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001505992576 893909379 /nfs/dbraw/zinc/90/93/79/893909379.db2.gz FERYBYIATJTLSR-UWVGGRQHSA-N 0 3 287.360 -1.304 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)N(C)C[C@H]1CCc2ncnn21 ZINC001505990934 893910358 /nfs/dbraw/zinc/91/03/58/893910358.db2.gz KZAGBYWLDXKSAC-DTWKUNHWSA-N 0 3 280.332 -1.313 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)N(C)CCO ZINC001506012607 893910732 /nfs/dbraw/zinc/91/07/32/893910732.db2.gz JEYKEPOOOIHBDB-SECBINFHSA-N 0 3 298.343 -1.874 20 0 CAADHN COCCN(C)[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001506009499 893910814 /nfs/dbraw/zinc/91/08/14/893910814.db2.gz DKXXTPORACZNCV-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)N(C)C[C@H]1CCc2ncnn21 ZINC001505990936 893912468 /nfs/dbraw/zinc/91/24/68/893912468.db2.gz KZAGBYWLDXKSAC-RKDXNWHRSA-N 0 3 280.332 -1.313 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001505992578 893913077 /nfs/dbraw/zinc/91/30/77/893913077.db2.gz FERYBYIATJTLSR-ZJUUUORDSA-N 0 3 287.360 -1.304 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)N(C)C[C@@H]1CCc2ncnn21 ZINC001505990933 893913878 /nfs/dbraw/zinc/91/38/78/893913878.db2.gz KZAGBYWLDXKSAC-BDAKNGLRSA-N 0 3 280.332 -1.313 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H](C)N(C)CCO ZINC001506060486 893915580 /nfs/dbraw/zinc/91/55/80/893915580.db2.gz DFGQPDSIYKTGGZ-MRVPVSSYSA-N 0 3 267.351 -2.036 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)N(C)CCO ZINC001506058783 893918445 /nfs/dbraw/zinc/91/84/45/893918445.db2.gz LHEHGAHTDZKXCG-DTWKUNHWSA-N 0 3 279.362 -1.893 20 0 CAADHN CN(C)C1(C(=O)N(C)C2CN(C(=O)C(N)=O)C2)CCC1 ZINC001506297097 893927176 /nfs/dbraw/zinc/92/71/76/893927176.db2.gz RXEXWXGFNIVMBH-UHFFFAOYSA-N 0 3 282.344 -1.375 20 0 CAADHN CCCN(C)CC(=O)N(C)C1CN(C(=O)C(N)=O)C1 ZINC001506313303 893927879 /nfs/dbraw/zinc/92/78/79/893927879.db2.gz VUKNWJFKLHOYCJ-UHFFFAOYSA-N 0 3 270.333 -1.517 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)C1CN(CCCO)C1 ZINC001506585909 893932322 /nfs/dbraw/zinc/93/23/22/893932322.db2.gz ILIKTSLVDNHMGM-VIFPVBQESA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@H](NC(=O)C[C@H]1CC(=O)NC1=O)C1CN(CCCO)C1 ZINC001506683976 893933942 /nfs/dbraw/zinc/93/39/42/893933942.db2.gz WUNSQPHUVZQZJU-UWVGGRQHSA-N 0 3 297.355 -1.142 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)C1CN(CCOC)C1 ZINC001506619151 893936187 /nfs/dbraw/zinc/93/61/87/893936187.db2.gz RLYWPNYOHPOKNY-SECBINFHSA-N 0 3 272.349 -1.002 20 0 CAADHN C[C@H](NC(=O)Cn1ncn(C)c1=O)C1CN(CCCO)C1 ZINC001506640792 893936556 /nfs/dbraw/zinc/93/65/56/893936556.db2.gz LWSIAVHLIMCLEX-JTQLQIEISA-N 0 3 297.359 -1.599 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001507111222 893957928 /nfs/dbraw/zinc/95/79/28/893957928.db2.gz RYDHNQHBBOQKFO-RKDXNWHRSA-N 0 3 272.349 -1.320 20 0 CAADHN COCCC(=O)N1CCO[C@H]([C@H](C)NCC(N)=O)C1 ZINC001506833384 893941770 /nfs/dbraw/zinc/94/17/70/893941770.db2.gz LCDQIWIXTBFCPY-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN COCCC(=O)N1CCO[C@@H]([C@H](C)NCC(N)=O)C1 ZINC001506833387 893942259 /nfs/dbraw/zinc/94/22/59/893942259.db2.gz LCDQIWIXTBFCPY-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H]1CN(C(=O)C2CC2)CCO1 ZINC001506831688 893942388 /nfs/dbraw/zinc/94/23/88/893942388.db2.gz IDHKBFXXYOARFK-WCBMZHEXSA-N 0 3 298.343 -1.203 20 0 CAADHN COCCC(=O)N1CCO[C@H]([C@@H](C)NCC(N)=O)C1 ZINC001506833390 893942731 /nfs/dbraw/zinc/94/27/31/893942731.db2.gz LCDQIWIXTBFCPY-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001506832990 893942977 /nfs/dbraw/zinc/94/29/77/893942977.db2.gz KPPCXEZIICBKAV-ONGXEEELSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2ccon2)CCO1 ZINC001506839851 893943093 /nfs/dbraw/zinc/94/30/93/893943093.db2.gz VCKMGHQOIWVXFS-WCBMZHEXSA-N 0 3 282.300 -1.021 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001506835768 893943627 /nfs/dbraw/zinc/94/36/27/893943627.db2.gz QLAZSFACGHKFGN-MWLCHTKSSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H]1CN(C(=O)C2CC2)CCO1 ZINC001506831685 893944166 /nfs/dbraw/zinc/94/41/66/893944166.db2.gz IDHKBFXXYOARFK-PSASIEDQSA-N 0 3 298.343 -1.203 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001506856926 893945651 /nfs/dbraw/zinc/94/56/51/893945651.db2.gz ZCLCKNSZPGDVDM-OPRDCNLKSA-N 0 3 282.344 -1.436 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001506844386 893946942 /nfs/dbraw/zinc/94/69/42/893946942.db2.gz LOMHBQJYPIFIOX-RQJHMYQMSA-N 0 3 258.278 -2.838 20 0 CAADHN NC(=O)NCCC(=O)N1CC2(C1)CCCN(CCO)C2 ZINC001506864614 893947237 /nfs/dbraw/zinc/94/72/37/893947237.db2.gz HDGQZWWOXHUEEO-UHFFFAOYSA-N 0 3 284.360 -1.039 20 0 CAADHN C[C@@H](NCCF)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001506844670 893947442 /nfs/dbraw/zinc/94/74/42/893947442.db2.gz NDJWICXRKVRDNW-BDAKNGLRSA-N 0 3 286.311 -1.001 20 0 CAADHN C[C@H](NCCF)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001506844671 893948047 /nfs/dbraw/zinc/94/80/47/893948047.db2.gz NDJWICXRKVRDNW-DTWKUNHWSA-N 0 3 286.311 -1.001 20 0 CAADHN CN(C(=O)C(N)=O)[C@@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001507021126 893950747 /nfs/dbraw/zinc/95/07/47/893950747.db2.gz CBVMUMYMMVLERY-ZJUUUORDSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnn(C)c1)NCC(=O)NC(N)=O ZINC001507047052 893950989 /nfs/dbraw/zinc/95/09/89/893950989.db2.gz FENAQWMZTSQMSJ-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN COCC(=O)N(C)C[C@@H](C)NCCNS(C)(=O)=O ZINC001507040367 893951888 /nfs/dbraw/zinc/95/18/88/893951888.db2.gz IIRBRDKSGYZQKA-SECBINFHSA-N 0 3 281.378 -1.382 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001507017714 893952097 /nfs/dbraw/zinc/95/20/97/893952097.db2.gz CNZOLGOWACNNKM-WPRPVWTQSA-N 0 3 284.360 -1.190 20 0 CAADHN CN(C(=O)c1cnn(C)c1N)[C@@H](CNCC(N)=O)C1CC1 ZINC001507008811 893952209 /nfs/dbraw/zinc/95/22/09/893952209.db2.gz INBIZPQEBDSCEY-JTQLQIEISA-N 0 3 294.359 -1.072 20 0 CAADHN CN(C(=O)CCn1cnnn1)[C@@H](CNCC(N)=O)C1CC1 ZINC001507031709 893953082 /nfs/dbraw/zinc/95/30/82/893953082.db2.gz WZTQLNJRTKRULW-JTQLQIEISA-N 0 3 295.347 -1.625 20 0 CAADHN CC(=O)NCC(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC001506955181 893953185 /nfs/dbraw/zinc/95/31/85/893953185.db2.gz XPJRCXJYBNUIRD-SECBINFHSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H](CNCC(N)=O)C1CC1 ZINC001507018045 893953431 /nfs/dbraw/zinc/95/34/31/893953431.db2.gz GUFNGEQVUTUFFX-UWVGGRQHSA-N 0 3 297.359 -1.678 20 0 CAADHN C[C@H](CN(C)C(=O)CC(N)=O)N[C@H](C)C(=O)N(C)C ZINC001507057508 893954583 /nfs/dbraw/zinc/95/45/83/893954583.db2.gz XLGHYYOPQJQQEA-RKDXNWHRSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@H](CN(C)C(=O)c1nccnc1N)N[C@@H]1CCNC1=O ZINC001507054038 893954496 /nfs/dbraw/zinc/95/44/96/893954496.db2.gz BSOATODCLZTOCP-RKDXNWHRSA-N 0 3 292.343 -1.003 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@H](C)NCC(N)=O)C1 ZINC001507069409 893954613 /nfs/dbraw/zinc/95/46/13/893954613.db2.gz FOUZBOAEILLWBQ-QMMMGPOBSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnco1)NCC(=O)NC(N)=O ZINC001507104763 893954691 /nfs/dbraw/zinc/95/46/91/893954691.db2.gz QAOVPOZBZLZVRO-SSDOTTSWSA-N 0 3 283.288 -1.080 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)NCC(N)=O ZINC001507064173 893954760 /nfs/dbraw/zinc/95/47/60/893954760.db2.gz BBFIOIFURHORFM-ZETCQYMHSA-N 0 3 268.321 -1.462 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001507077793 893955220 /nfs/dbraw/zinc/95/52/20/893955220.db2.gz NWWGNDBRAFDUHD-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](N[C@@H](C)CN(C)C(=O)Cn1cnnn1)C(N)=O ZINC001507050001 893955297 /nfs/dbraw/zinc/95/52/97/893955297.db2.gz QKFJBHDGOFHHAG-DTWKUNHWSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@H](CN(C)C(=O)COCc1nccn1C)NCC(N)=O ZINC001507085389 893955537 /nfs/dbraw/zinc/95/55/37/893955537.db2.gz FVYMBDVVHTZNIU-SNVBAGLBSA-N 0 3 297.359 -1.142 20 0 CAADHN C[C@@H](CN(C)C(=O)COCc1nccn1C)NCC(N)=O ZINC001507085386 893955797 /nfs/dbraw/zinc/95/57/97/893955797.db2.gz FVYMBDVVHTZNIU-JTQLQIEISA-N 0 3 297.359 -1.142 20 0 CAADHN C[C@H](CN(C)C(=O)c1cc(=O)n(C)cn1)N[C@@H](C)C(N)=O ZINC001507086322 893955926 /nfs/dbraw/zinc/95/59/26/893955926.db2.gz RRIKDVONNQKXBR-BDAKNGLRSA-N 0 3 295.343 -1.296 20 0 CAADHN C[C@H](CN(C)C(=O)c1nccnc1N)N[C@H]1CCNC1=O ZINC001507054031 893956292 /nfs/dbraw/zinc/95/62/92/893956292.db2.gz BSOATODCLZTOCP-BDAKNGLRSA-N 0 3 292.343 -1.003 20 0 CAADHN C[C@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)NCC(N)=O ZINC001507086959 893956727 /nfs/dbraw/zinc/95/67/27/893956727.db2.gz GDYLUDGBLMKNQS-NOZJJQNGSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)NCC(N)=O ZINC001507083854 893956863 /nfs/dbraw/zinc/95/68/63/893956863.db2.gz WDRDSYKCALHTKV-DTWKUNHWSA-N 0 3 270.333 -1.614 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)CC(N)=O ZINC001507060194 893957085 /nfs/dbraw/zinc/95/70/85/893957085.db2.gz PMHPZNVOIMAYBZ-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001507077790 893957532 /nfs/dbraw/zinc/95/75/32/893957532.db2.gz NWWGNDBRAFDUHD-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@@H](C)N[C@H]1CCNC1=O ZINC001507066707 893957600 /nfs/dbraw/zinc/95/76/00/893957600.db2.gz URMSXEWNKNXUJY-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001507083814 893957664 /nfs/dbraw/zinc/95/76/64/893957664.db2.gz VQRYPFYPVLGVGA-VIFPVBQESA-N 0 3 287.364 -1.560 20 0 CAADHN C[C@@H](CN(C)C(=O)CC(C)(C)O)NCC(=O)NC(N)=O ZINC001507073063 893957797 /nfs/dbraw/zinc/95/77/97/893957797.db2.gz XPRSPNLIMGHEII-QMMMGPOBSA-N 0 3 288.348 -1.221 20 0 CAADHN C[C@H](CN(C)C(=O)CC(C)(C)O)NCC(=O)NC(N)=O ZINC001507073062 893957818 /nfs/dbraw/zinc/95/78/18/893957818.db2.gz XPRSPNLIMGHEII-MRVPVSSYSA-N 0 3 288.348 -1.221 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001507064583 893958056 /nfs/dbraw/zinc/95/80/56/893958056.db2.gz WSGGZJYZYNAJDK-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnnn1C)N[C@@H](C)C(N)=O ZINC001507071097 893958162 /nfs/dbraw/zinc/95/81/62/893958162.db2.gz XCWVVIADJUZUKD-YUMQZZPRSA-N 0 3 268.321 -1.261 20 0 CAADHN C[C@@H](CN(C)C(=O)CC(N)=O)N[C@@H]1CCCN(C)C1=O ZINC001507056994 893958189 /nfs/dbraw/zinc/95/81/89/893958189.db2.gz UUBLHIWNISHHLO-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](CN(C)C(=O)c1nc[n-]n1)[NH2+][C@H]1CCNC1=O ZINC001507134128 893959616 /nfs/dbraw/zinc/95/96/16/893959616.db2.gz AZQOZJVVIKBUAY-SFYZADRCSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnn(C)n1)NCC(=O)N(C)C ZINC001507134356 893959758 /nfs/dbraw/zinc/95/97/58/893959758.db2.gz KVYYIQGENHGOPE-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001507113776 893960000 /nfs/dbraw/zinc/96/00/00/893960000.db2.gz DBIKMMXPNOUXNN-JGVFFNPUSA-N 0 3 281.316 -1.306 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001507132326 893960083 /nfs/dbraw/zinc/96/00/83/893960083.db2.gz PHWBGLIQZFZVLC-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)NCC(N)=O ZINC001507126545 893960655 /nfs/dbraw/zinc/96/06/55/893960655.db2.gz MRDHSKAZGPWPJY-XHNCKOQMSA-N 0 3 286.332 -2.059 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H](COC)OC ZINC001507122084 893960853 /nfs/dbraw/zinc/96/08/53/893960853.db2.gz PNWZIZIRQVCBFW-UWVGGRQHSA-N 0 3 275.349 -1.170 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H](COC)OC ZINC001507122083 893961374 /nfs/dbraw/zinc/96/13/74/893961374.db2.gz PNWZIZIRQVCBFW-NXEZZACHSA-N 0 3 275.349 -1.170 20 0 CAADHN COCC(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001507164086 893961611 /nfs/dbraw/zinc/96/16/11/893961611.db2.gz AFYJHAZYEHCQIE-VIFPVBQESA-N 0 3 274.321 -2.275 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1cnccc1=O)NCC(N)=O ZINC001507138999 893961781 /nfs/dbraw/zinc/96/17/81/893961781.db2.gz RSBXYTNTOPZPRK-JTQLQIEISA-N 0 3 295.343 -1.445 20 0 CAADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)N[C@H](C)C(N)=O ZINC001507113775 893961810 /nfs/dbraw/zinc/96/18/10/893961810.db2.gz DBIKMMXPNOUXNN-HTQZYQBOSA-N 0 3 281.316 -1.306 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CCNC(N)=O ZINC001507154849 893962330 /nfs/dbraw/zinc/96/23/30/893962330.db2.gz YZMTUJZPUSHKSV-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnon1)NCc1nc(=O)n(C)[nH]1 ZINC001507138017 893962499 /nfs/dbraw/zinc/96/24/99/893962499.db2.gz FTAGJAFWVYGXQP-SSDOTTSWSA-N 0 3 295.303 -1.258 20 0 CAADHN COCC(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001507164080 893963177 /nfs/dbraw/zinc/96/31/77/893963177.db2.gz AFYJHAZYEHCQIE-SECBINFHSA-N 0 3 274.321 -2.275 20 0 CAADHN COCC(=O)NC[C@@H](CO)NCCN1CCCC1=O ZINC001507169473 893965556 /nfs/dbraw/zinc/96/55/56/893965556.db2.gz VTYYRVKSRPXTPH-JTQLQIEISA-N 0 3 273.333 -1.678 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cc[n+]([O-])cc1 ZINC001507171999 893965807 /nfs/dbraw/zinc/96/58/07/893965807.db2.gz ODTYOGLMPSQJMJ-LLVKDONJSA-N 0 3 269.301 -1.353 20 0 CAADHN O=C(NC[C@H](CO)NCCNC(=O)C1CC1)c1ccon1 ZINC001507179690 893972424 /nfs/dbraw/zinc/97/24/24/893972424.db2.gz NFBQXMGNVPIKMR-SNVBAGLBSA-N 0 3 296.327 -1.119 20 0 CAADHN O=C(NC[C@H](CO)NCCOC1CCC1)[C@H]1CCC(=O)N1 ZINC001507179528 893973999 /nfs/dbraw/zinc/97/39/99/893973999.db2.gz QVHUVWIFALXSBW-ZYHUDNBSSA-N 0 3 299.371 -1.099 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCCC1=O)[C@@H]1CCOC1 ZINC001507180716 893977042 /nfs/dbraw/zinc/97/70/42/893977042.db2.gz SDPPSSQECGVPJX-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCCC1=O)c1ccon1 ZINC001507180539 893977376 /nfs/dbraw/zinc/97/73/76/893977376.db2.gz SBTCFMVCFSQGAE-JTQLQIEISA-N 0 3 296.327 -1.023 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCCC1=O)c1ccon1 ZINC001507180540 893978685 /nfs/dbraw/zinc/97/86/85/893978685.db2.gz SBTCFMVCFSQGAE-SNVBAGLBSA-N 0 3 296.327 -1.023 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCCC1=O)[C@@H]1CCOC1 ZINC001507180711 893980228 /nfs/dbraw/zinc/98/02/28/893980228.db2.gz SDPPSSQECGVPJX-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001507187759 893983702 /nfs/dbraw/zinc/98/37/02/893983702.db2.gz GTMNNAVEOMYSNP-UWVGGRQHSA-N 0 3 274.317 -1.347 20 0 CAADHN CC(C)OCCN[C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001507188683 893985040 /nfs/dbraw/zinc/98/50/40/893985040.db2.gz LRWNONIAGRAGLO-JTQLQIEISA-N 0 3 285.348 -1.080 20 0 CAADHN CS(=O)(=O)CCC(=O)NC[C@H](CO)NCCO ZINC001507201910 893993354 /nfs/dbraw/zinc/99/33/54/893993354.db2.gz MEHFPLVQYYUHMU-MRVPVSSYSA-N 0 3 268.335 -2.520 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001507208083 893997783 /nfs/dbraw/zinc/99/77/83/893997783.db2.gz XBANBUMXFLPZEP-ZWNOBZJWSA-N 0 3 287.360 -1.384 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C[C@H]1CCNC1=O ZINC001507207816 893997861 /nfs/dbraw/zinc/99/78/61/893997861.db2.gz FCNCMSACSHTPJC-ZJUUUORDSA-N 0 3 273.333 -1.774 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001507224865 893999832 /nfs/dbraw/zinc/99/98/32/893999832.db2.gz IWTPVWGVWBPIDN-NXEZZACHSA-N 0 3 273.333 -1.774 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1coc(C(N)=O)c1 ZINC001507217521 894002590 /nfs/dbraw/zinc/00/25/90/894002590.db2.gz ATBKFZVBUIJDJG-SECBINFHSA-N 0 3 285.300 -1.295 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)CN1CCNC(=O)C1 ZINC001507225492 894003785 /nfs/dbraw/zinc/00/37/85/894003785.db2.gz NJBAHHBFFKUXPN-SNVBAGLBSA-N 0 3 288.348 -2.869 20 0 CAADHN COCCN[C@H](CO)CNC(=O)CN1CCNC(=O)C1 ZINC001507225466 894004221 /nfs/dbraw/zinc/00/42/21/894004221.db2.gz NJBAHHBFFKUXPN-JTQLQIEISA-N 0 3 288.348 -2.869 20 0 CAADHN CC(C)OCCN[C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001507227843 894004333 /nfs/dbraw/zinc/00/43/33/894004333.db2.gz AFFXFQYABQZUGZ-ZJUUUORDSA-N 0 3 288.348 -1.841 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)Cn1cnnn1 ZINC001507463196 894043370 /nfs/dbraw/zinc/04/33/70/894043370.db2.gz ALFGIPMMRDOFBD-QMMMGPOBSA-N 0 3 260.273 -1.949 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001507224866 894004542 /nfs/dbraw/zinc/00/45/42/894004542.db2.gz IWTPVWGVWBPIDN-UWVGGRQHSA-N 0 3 273.333 -1.774 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@H](CO)[NH2+]CC(=O)N(C)C ZINC001507226691 894005548 /nfs/dbraw/zinc/00/55/48/894005548.db2.gz SZBXLDADGNLQRF-MRVPVSSYSA-N 0 3 284.320 -2.118 20 0 CAADHN COCC[NH2+][C@H](CO)CNC(=O)c1c(C)nc[n-]c1=O ZINC001507226429 894005722 /nfs/dbraw/zinc/00/57/22/894005722.db2.gz KLUJTVNRGPWBOC-VIFPVBQESA-N 0 3 284.316 -1.183 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)[C@@H]1CCNC1=O ZINC001507224867 894005828 /nfs/dbraw/zinc/00/58/28/894005828.db2.gz IWTPVWGVWBPIDN-VHSXEESVSA-N 0 3 273.333 -1.774 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)[C@H]1CCNC1=O ZINC001507224868 894006356 /nfs/dbraw/zinc/00/63/56/894006356.db2.gz IWTPVWGVWBPIDN-ZJUUUORDSA-N 0 3 273.333 -1.774 20 0 CAADHN CC(C)OCCN[C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001507227840 894007723 /nfs/dbraw/zinc/00/77/23/894007723.db2.gz AFFXFQYABQZUGZ-UWVGGRQHSA-N 0 3 288.348 -1.841 20 0 CAADHN C[C@H](CN[C@H](CO)CNC(=O)C(N)=O)CS(C)(=O)=O ZINC001507233071 894008676 /nfs/dbraw/zinc/00/86/76/894008676.db2.gz RPUALHAZVFVWJY-SFYZADRCSA-N 0 3 295.361 -2.781 20 0 CAADHN CN(C)C(=O)CN[C@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001507239935 894015601 /nfs/dbraw/zinc/01/56/01/894015601.db2.gz OXBRDYNZYNELFE-JTQLQIEISA-N 0 3 298.347 -2.108 20 0 CAADHN CN(C)C(=O)CN[C@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001507239935 894015621 /nfs/dbraw/zinc/01/56/21/894015621.db2.gz OXBRDYNZYNELFE-JTQLQIEISA-N 0 3 298.347 -2.108 20 0 CAADHN O=C(CCc1cn[nH]n1)NC[C@@H](CO)N[C@H]1CCNC1=O ZINC001507237493 894016846 /nfs/dbraw/zinc/01/68/46/894016846.db2.gz FZEDHWDGJZMWDD-UWVGGRQHSA-N 0 3 296.331 -2.308 20 0 CAADHN O=C(CCc1c[nH]nn1)NC[C@@H](CO)N[C@H]1CCNC1=O ZINC001507237493 894016866 /nfs/dbraw/zinc/01/68/66/894016866.db2.gz FZEDHWDGJZMWDD-UWVGGRQHSA-N 0 3 296.331 -2.308 20 0 CAADHN Cc1cnc(CN[C@H](CO)CNC(=O)c2nc[nH]n2)cn1 ZINC001507238449 894018297 /nfs/dbraw/zinc/01/82/97/894018297.db2.gz JMGXPVIBGZYBAH-JTQLQIEISA-N 0 3 291.315 -1.216 20 0 CAADHN COC[C@@H](C)N[C@@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001507249041 894023379 /nfs/dbraw/zinc/02/33/79/894023379.db2.gz MTZVFUBADLEPRB-MWLCHTKSSA-N 0 3 287.360 -1.386 20 0 CAADHN O=C(Cc1nc[nH]n1)NC[C@@H](CO)N[C@H]1CCCNC1=O ZINC001507254337 894029683 /nfs/dbraw/zinc/02/96/83/894029683.db2.gz HYMBNMXKJMDWJA-IUCAKERBSA-N 0 3 296.331 -2.308 20 0 CAADHN C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](CO)NCCO ZINC001507265708 894031530 /nfs/dbraw/zinc/03/15/30/894031530.db2.gz SWIGTXFQSAEZLK-DTWKUNHWSA-N 0 3 282.362 -2.274 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NCc1nnn(C)n1 ZINC001507265555 894031635 /nfs/dbraw/zinc/03/16/35/894031635.db2.gz RYJPPIVUMUJYKZ-JTQLQIEISA-N 0 3 299.379 -1.883 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001507270612 894032436 /nfs/dbraw/zinc/03/24/36/894032436.db2.gz NAPFTERVWHVRJQ-CBAPKCEASA-N 0 3 256.306 -1.813 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001507263179 894032504 /nfs/dbraw/zinc/03/25/04/894032504.db2.gz RBBGOWZKUTZEBV-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001507273631 894032963 /nfs/dbraw/zinc/03/29/63/894032963.db2.gz HRCOEOGBAITCML-JTQLQIEISA-N 0 3 293.331 -1.310 20 0 CAADHN C[C@H]1[C@H](NCCS(C)(=O)=O)CCN1C(=O)CC(N)=O ZINC001507273394 894034212 /nfs/dbraw/zinc/03/42/12/894034212.db2.gz LSZJYFAWFFHXPI-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CNC(C)=O)[C@@H]1C ZINC001507274719 894034391 /nfs/dbraw/zinc/03/43/91/894034391.db2.gz ZBZVCJOCFRPQTN-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001507263180 894035350 /nfs/dbraw/zinc/03/53/50/894035350.db2.gz RBBGOWZKUTZEBV-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1nccn1CC(=O)NC[C@H](CO)N[C@@H]1CCNC1=O ZINC001507261677 894035487 /nfs/dbraw/zinc/03/54/87/894035487.db2.gz UADWGEUCRAJCAN-GHMZBOCLSA-N 0 3 295.343 -1.853 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1nccnc1C(N)=O ZINC001507262380 894035614 /nfs/dbraw/zinc/03/56/14/894035614.db2.gz YRVZSNCFKFXZTN-MRVPVSSYSA-N 0 3 297.315 -2.098 20 0 CAADHN Cc1nccn1CC(=O)NC[C@H](CO)N[C@H]1CCNC1=O ZINC001507261679 894036143 /nfs/dbraw/zinc/03/61/43/894036143.db2.gz UADWGEUCRAJCAN-MNOVXSKESA-N 0 3 295.343 -1.853 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001507270614 894036460 /nfs/dbraw/zinc/03/64/60/894036460.db2.gz NAPFTERVWHVRJQ-IONNQARKSA-N 0 3 256.306 -1.813 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H](CO)N[C@@H]1CCNC1=O ZINC001507261683 894036507 /nfs/dbraw/zinc/03/65/07/894036507.db2.gz UADWGEUCRAJCAN-WDEREUQCSA-N 0 3 295.343 -1.853 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](NCC(=O)N(C)C)C[C@H]1C ZINC001507314643 894038449 /nfs/dbraw/zinc/03/84/49/894038449.db2.gz QGBZJTDBHAEGEI-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001507288147 894039001 /nfs/dbraw/zinc/03/90/01/894039001.db2.gz CVMZANXPBZHKCR-RKDXNWHRSA-N 0 3 270.333 -1.425 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H](NCC(=O)N(C)C)C[C@@H]1C ZINC001507314634 894039081 /nfs/dbraw/zinc/03/90/81/894039081.db2.gz QGBZJTDBHAEGEI-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C ZINC001507277993 894039113 /nfs/dbraw/zinc/03/91/13/894039113.db2.gz KPGWKTGILYKUEY-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H]1C[C@@H](NCCS(C)(=O)=O)CN1C(=O)CC(N)=O ZINC001507303796 894039177 /nfs/dbraw/zinc/03/91/77/894039177.db2.gz CGXJOIFZLFDAGS-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCNC(N)=O ZINC001507295024 894040476 /nfs/dbraw/zinc/04/04/76/894040476.db2.gz KKFKKRCYBSOFAB-SFYZADRCSA-N 0 3 271.321 -1.891 20 0 CAADHN C[C@H]1C[C@H](NCCS(C)(=O)=O)CN1C(=O)CC(N)=O ZINC001507303797 894040855 /nfs/dbraw/zinc/04/08/55/894040855.db2.gz CGXJOIFZLFDAGS-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@@H]1C[C@H](NCCS(C)(=O)=O)CN1C(=O)CC(N)=O ZINC001507303795 894040991 /nfs/dbraw/zinc/04/09/91/894040991.db2.gz CGXJOIFZLFDAGS-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)COC ZINC001507456476 894042287 /nfs/dbraw/zinc/04/22/87/894042287.db2.gz IYKDDTHWXVLOHE-JTQLQIEISA-N 0 3 275.349 -1.480 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2nnn(C)n2)CC1(C)C ZINC001507444258 894042503 /nfs/dbraw/zinc/04/25/03/894042503.db2.gz PCFZMXPTKRDMNG-MRVPVSSYSA-N 0 3 295.347 -1.604 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001507459856 894042850 /nfs/dbraw/zinc/04/28/50/894042850.db2.gz HDFQGALBXIEVDA-CBAPKCEASA-N 0 3 274.321 -2.595 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CNC(=O)C1CC1 ZINC001507465220 894042917 /nfs/dbraw/zinc/04/29/17/894042917.db2.gz HSXXVSWRUOACLB-VIFPVBQESA-N 0 3 286.332 -2.593 20 0 CAADHN CCO[C@H](C)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001507464556 894043090 /nfs/dbraw/zinc/04/30/90/894043090.db2.gz ATXOEEAZSYSQBB-RKDXNWHRSA-N 0 3 261.322 -1.694 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1cc[nH]n1 ZINC001507465269 894043600 /nfs/dbraw/zinc/04/36/00/894043600.db2.gz IUESCZRWBITUAF-NXEZZACHSA-N 0 3 295.343 -1.337 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cnccn1 ZINC001507460011 894044446 /nfs/dbraw/zinc/04/44/46/894044446.db2.gz HUZDWEZXCYCNMC-MRVPVSSYSA-N 0 3 267.289 -2.016 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCNC(N)=O)CC1(C)C ZINC001507452602 894044474 /nfs/dbraw/zinc/04/44/74/894044474.db2.gz QGQJPEUJWAPWRG-VIFPVBQESA-N 0 3 299.375 -1.383 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1cc[nH]n1 ZINC001507465272 894044525 /nfs/dbraw/zinc/04/45/25/894044525.db2.gz IUESCZRWBITUAF-ZJUUUORDSA-N 0 3 295.343 -1.337 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1cc[nH]n1 ZINC001507465271 894045072 /nfs/dbraw/zinc/04/50/72/894045072.db2.gz IUESCZRWBITUAF-VHSXEESVSA-N 0 3 295.343 -1.337 20 0 CAADHN C[C@@H](N[C@H]1CN(C(=O)C(N)=O)CC1(C)C)C(=O)N(C)C ZINC001507443314 894045114 /nfs/dbraw/zinc/04/51/14/894045114.db2.gz OHAGZCPKZPOURE-BDAKNGLRSA-N 0 3 284.360 -1.225 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C1CC1 ZINC001507457713 894045868 /nfs/dbraw/zinc/04/58/68/894045868.db2.gz NMVUYEAIDAUASZ-VHSXEESVSA-N 0 3 255.318 -1.306 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cc[nH]n1)C(N)=O ZINC001507464884 894046088 /nfs/dbraw/zinc/04/60/88/894046088.db2.gz DRMCAFMMRLAFMN-SFYZADRCSA-N 0 3 269.305 -1.694 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001507459857 894046236 /nfs/dbraw/zinc/04/62/36/894046236.db2.gz HDFQGALBXIEVDA-IONNQARKSA-N 0 3 274.321 -2.595 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)CC(N)=O ZINC001507470699 894047091 /nfs/dbraw/zinc/04/70/91/894047091.db2.gz UTRSKLHKPOVBMI-SECBINFHSA-N 0 3 286.332 -2.497 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cocn1 ZINC001507469738 894047137 /nfs/dbraw/zinc/04/71/37/894047137.db2.gz BPLKIRASTREUKT-IUCAKERBSA-N 0 3 284.316 -1.168 20 0 CAADHN Cc1c(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)cnn1C ZINC001507466869 894047344 /nfs/dbraw/zinc/04/73/44/894047344.db2.gz RQOVKQJLDXRQHO-PSASIEDQSA-N 0 3 297.359 -1.375 20 0 CAADHN Cc1c(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)cnn1C ZINC001507466878 894047646 /nfs/dbraw/zinc/04/76/46/894047646.db2.gz RQOVKQJLDXRQHO-SCZZXKLOSA-N 0 3 297.359 -1.375 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)c[nH]1 ZINC001507469585 894047982 /nfs/dbraw/zinc/04/79/82/894047982.db2.gz BDVWJJGMOURPIL-CBAPKCEASA-N 0 3 283.332 -1.386 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)CC(N)=O)C(N)=O ZINC001507468843 894048264 /nfs/dbraw/zinc/04/82/64/894048264.db2.gz CZPPEBZSORCLEX-SFYZADRCSA-N 0 3 274.321 -2.465 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001507468260 894048456 /nfs/dbraw/zinc/04/84/56/894048456.db2.gz RYUBTTIYHOKIAO-MNOVXSKESA-N 0 3 287.360 -1.480 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cccc(=O)[nH]1 ZINC001507471539 894048541 /nfs/dbraw/zinc/04/85/41/894048541.db2.gz REZFRRIQOUOZDM-MRVPVSSYSA-N 0 3 282.300 -1.705 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001507467750 894048771 /nfs/dbraw/zinc/04/87/71/894048771.db2.gz YKCONUVGZCUWTN-SNVBAGLBSA-N 0 3 283.332 -1.432 20 0 CAADHN CN(C[C@@H](O)CNCc1ccccn1)C(=O)CC(N)=O ZINC001507469399 894049207 /nfs/dbraw/zinc/04/92/07/894049207.db2.gz LZBQCQZVYXBEAV-NSHDSACASA-N 0 3 280.328 -1.134 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cocn1)C(N)=O ZINC001507469870 894049741 /nfs/dbraw/zinc/04/97/41/894049741.db2.gz CRKLJRSNMPRBIN-JGVFFNPUSA-N 0 3 270.289 -1.429 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(C)nn1C ZINC001507467892 894050050 /nfs/dbraw/zinc/05/00/50/894050050.db2.gz OUKUWNQZTAMTCS-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)c[nH]1 ZINC001507469587 894050425 /nfs/dbraw/zinc/05/04/25/894050425.db2.gz BDVWJJGMOURPIL-IONNQARKSA-N 0 3 283.332 -1.386 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C)nn1C ZINC001507467891 894050520 /nfs/dbraw/zinc/05/05/20/894050520.db2.gz OUKUWNQZTAMTCS-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@@H]1COCCO1 ZINC001507466466 894050865 /nfs/dbraw/zinc/05/08/65/894050865.db2.gz PIEXRXKHKONEAS-ZJUUUORDSA-N 0 3 264.297 -1.220 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001507466005 894051821 /nfs/dbraw/zinc/05/18/21/894051821.db2.gz CRANRFZNFAGIPG-RKDXNWHRSA-N 0 3 261.322 -1.824 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)CC(N)=O ZINC001507470706 894052010 /nfs/dbraw/zinc/05/20/10/894052010.db2.gz UTRSKLHKPOVBMI-VIFPVBQESA-N 0 3 286.332 -2.497 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001507476286 894052483 /nfs/dbraw/zinc/05/24/83/894052483.db2.gz XMZZRZJEYXOKRF-WPRPVWTQSA-N 0 3 296.327 -1.317 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@@H]1COC(=O)N1 ZINC001507477018 894052595 /nfs/dbraw/zinc/05/25/95/894052595.db2.gz IZOCMVNRQJTJFV-YUMQZZPRSA-N 0 3 263.269 -1.527 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001507477107 894053272 /nfs/dbraw/zinc/05/32/72/894053272.db2.gz KECMKNGCXAGFLN-PSASIEDQSA-N 0 3 261.322 -2.103 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@@H]1COC(=O)N1 ZINC001507477017 894053305 /nfs/dbraw/zinc/05/33/05/894053305.db2.gz IZOCMVNRQJTJFV-SFYZADRCSA-N 0 3 263.269 -1.527 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507477108 894053499 /nfs/dbraw/zinc/05/34/99/894053499.db2.gz KECMKNGCXAGFLN-WCBMZHEXSA-N 0 3 261.322 -2.103 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001507476284 894053705 /nfs/dbraw/zinc/05/37/05/894053705.db2.gz XMZZRZJEYXOKRF-WCBMZHEXSA-N 0 3 296.327 -1.317 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccn(C)c1)C(N)=O ZINC001507476432 894054358 /nfs/dbraw/zinc/05/43/58/894054358.db2.gz YUSFNEZHAYUGKH-MWLCHTKSSA-N 0 3 282.344 -1.079 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(C)ncn1 ZINC001507473529 894055108 /nfs/dbraw/zinc/05/51/08/894055108.db2.gz KLNHYYQXHCMGKP-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccn(C)c1 ZINC001507476200 894055422 /nfs/dbraw/zinc/05/54/22/894055422.db2.gz WUFVWKODJXXCLW-RYUDHWBXSA-N 0 3 294.355 -1.064 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001507485081 894055564 /nfs/dbraw/zinc/05/55/64/894055564.db2.gz PWRHDCUJCSMPJF-MRVPVSSYSA-N 0 3 297.315 -2.712 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)n1cncn1 ZINC001507474213 894056096 /nfs/dbraw/zinc/05/60/96/894056096.db2.gz QAWPQEHBXVWOAQ-UWVGGRQHSA-N 0 3 298.347 -2.006 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cc1cnoc1 ZINC001507498373 894057477 /nfs/dbraw/zinc/05/74/77/894057477.db2.gz FBPCUFSYHVZMJL-SECBINFHSA-N 0 3 270.289 -1.889 20 0 CAADHN COCC1(C(=O)N(C)C[C@@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001507492743 894059287 /nfs/dbraw/zinc/05/92/87/894059287.db2.gz DEPWNJLGGPORBL-QWRGUYRKSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001507497866 894059325 /nfs/dbraw/zinc/05/93/25/894059325.db2.gz SFVHGNOIVOBMDG-YIZRAAEISA-N 0 3 286.332 -1.754 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)c1nnn(C)n1 ZINC001507497659 894059503 /nfs/dbraw/zinc/05/95/03/894059503.db2.gz PCWFUCDOVGAGOS-SSDOTTSWSA-N 0 3 260.273 -1.798 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001507495596 894059897 /nfs/dbraw/zinc/05/98/97/894059897.db2.gz LGCPDLMSSYGULZ-DTWKUNHWSA-N 0 3 296.331 -1.976 20 0 CAADHN COc1ccnc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)c1 ZINC001507496420 894060193 /nfs/dbraw/zinc/06/01/93/894060193.db2.gz TWSDZFLLMPODJF-VIFPVBQESA-N 0 3 296.327 -1.402 20 0 CAADHN CN(C[C@@H](O)CNCc1ccnn1C)C(=O)C(N)=O ZINC001507502802 894060580 /nfs/dbraw/zinc/06/05/80/894060580.db2.gz OKLLSHSJTDIXFI-VIFPVBQESA-N 0 3 269.305 -2.186 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001507510700 894060895 /nfs/dbraw/zinc/06/08/95/894060895.db2.gz NRQXFRBQXNNMLY-MRVPVSSYSA-N 0 3 285.304 -1.820 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@@]1(C)CCNC1=O ZINC001507504076 894061269 /nfs/dbraw/zinc/06/12/69/894061269.db2.gz NUTUEILXFIAPTD-CABZTGNLSA-N 0 3 275.324 -1.109 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)C(N)=O ZINC001507503182 894061704 /nfs/dbraw/zinc/06/17/04/894061704.db2.gz XQTNAVOJIXGMEE-QMMMGPOBSA-N 0 3 272.305 -2.887 20 0 CAADHN CN(C[C@@H](O)CNCc1ccccn1)C(=O)C(N)=O ZINC001507502949 894062071 /nfs/dbraw/zinc/06/20/71/894062071.db2.gz RRFKUARAROPXCD-JTQLQIEISA-N 0 3 266.301 -1.524 20 0 CAADHN Cc1ncccc1CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507503556 894062113 /nfs/dbraw/zinc/06/21/13/894062113.db2.gz DVFVVVOGEQOTMC-LBPRGKRZSA-N 0 3 294.355 -1.173 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cccnn1)C(N)=O ZINC001507516556 894062351 /nfs/dbraw/zinc/06/23/51/894062351.db2.gz MWYWZJRMCACMTO-DTWKUNHWSA-N 0 3 281.316 -1.627 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1C ZINC001507499650 894062649 /nfs/dbraw/zinc/06/26/49/894062649.db2.gz MGUFVBXTJLWAMJ-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cccnn1)C(N)=O ZINC001507516560 894062729 /nfs/dbraw/zinc/06/27/29/894062729.db2.gz MWYWZJRMCACMTO-RKDXNWHRSA-N 0 3 281.316 -1.627 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CC12CC2 ZINC001507506407 894063091 /nfs/dbraw/zinc/06/30/91/894063091.db2.gz FBQZHYCUKAHNOH-NXEZZACHSA-N 0 3 269.345 -1.059 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCCNC1=O)C(=O)C(N)=O ZINC001507501841 894063130 /nfs/dbraw/zinc/06/31/30/894063130.db2.gz CRIWPEZRQLSUCN-YUMQZZPRSA-N 0 3 272.305 -2.841 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)c1cnn(C)n1 ZINC001507510134 894063182 /nfs/dbraw/zinc/06/31/82/894063182.db2.gz JLLMKMMSBHCPGV-MRVPVSSYSA-N 0 3 259.285 -1.193 20 0 CAADHN CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1)C(N)=O ZINC001507510178 894063312 /nfs/dbraw/zinc/06/33/12/894063312.db2.gz KMKXRNRHIMXYQG-SFYZADRCSA-N 0 3 284.320 -1.909 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001507500020 894063716 /nfs/dbraw/zinc/06/37/16/894063716.db2.gz UYKMXHSSQFWXRH-LLVKDONJSA-N 0 3 298.343 -1.238 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCCNC1=O)C(=O)C(N)=O ZINC001507501840 894064658 /nfs/dbraw/zinc/06/46/58/894064658.db2.gz CRIWPEZRQLSUCN-SFYZADRCSA-N 0 3 272.305 -2.841 20 0 CAADHN COc1ccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)nn1 ZINC001507510487 894064708 /nfs/dbraw/zinc/06/47/08/894064708.db2.gz BORAHFYQCJSSAF-MRVPVSSYSA-N 0 3 297.315 -2.007 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)CNC(=O)C1CC1 ZINC001507597536 894064982 /nfs/dbraw/zinc/06/49/82/894064982.db2.gz PEYCKIMNERIVLZ-LLVKDONJSA-N 0 3 287.360 -1.744 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001507586557 894065610 /nfs/dbraw/zinc/06/56/10/894065610.db2.gz CJDXTRYYMZNXSD-NEPJUHHUSA-N 0 3 290.360 -1.201 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1[nH]cnc1C ZINC001507577685 894066237 /nfs/dbraw/zinc/06/62/37/894066237.db2.gz RQFKKVLKHIEIBS-NXEZZACHSA-N 0 3 297.359 -1.125 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001507586560 894066379 /nfs/dbraw/zinc/06/63/79/894066379.db2.gz CJDXTRYYMZNXSD-VXGBXAGGSA-N 0 3 290.360 -1.201 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001507565601 894066542 /nfs/dbraw/zinc/06/65/42/894066542.db2.gz DBGCWRGBSLIWBI-NSHDSACASA-N 0 3 297.359 -1.572 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001507577266 894067362 /nfs/dbraw/zinc/06/73/62/894067362.db2.gz QJGKAVIPSGIVQL-MRVPVSSYSA-N 0 3 269.305 -1.774 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001507565599 894068041 /nfs/dbraw/zinc/06/80/41/894068041.db2.gz DBGCWRGBSLIWBI-LLVKDONJSA-N 0 3 297.359 -1.572 20 0 CAADHN Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001507547230 894068316 /nfs/dbraw/zinc/06/83/16/894068316.db2.gz LKBCEVSFKQYNGN-VHSXEESVSA-N 0 3 297.359 -1.457 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001507586212 894068442 /nfs/dbraw/zinc/06/84/42/894068442.db2.gz LITOCWWITCZCBD-SNVBAGLBSA-N 0 3 286.336 -1.929 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cc(Cl)no1 ZINC001507548145 894068486 /nfs/dbraw/zinc/06/84/86/894068486.db2.gz QHYHYTKFNGJGFU-ZCFIWIBFSA-N 0 3 290.707 -1.164 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1[nH]cnc1C ZINC001507549558 894069594 /nfs/dbraw/zinc/06/95/94/894069594.db2.gz ZHGRUIDYGCFAQH-JTQLQIEISA-N 0 3 297.359 -1.584 20 0 CAADHN Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001507547232 894070217 /nfs/dbraw/zinc/07/02/17/894070217.db2.gz LKBCEVSFKQYNGN-ZJUUUORDSA-N 0 3 297.359 -1.457 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001507697169 894070616 /nfs/dbraw/zinc/07/06/16/894070616.db2.gz PIBNGMLRYMDDCX-AXFHLTTASA-N 0 3 287.360 -1.495 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001507684016 894071082 /nfs/dbraw/zinc/07/10/82/894071082.db2.gz KSEGCALZYBRURD-QWRGUYRKSA-N 0 3 287.360 -1.792 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001507624237 894072605 /nfs/dbraw/zinc/07/26/05/894072605.db2.gz FQVYEBHMOYRCKK-SNVBAGLBSA-N 0 3 285.348 -1.174 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001507696061 894072980 /nfs/dbraw/zinc/07/29/80/894072980.db2.gz OSMDVBVIVJZSEP-NEPJUHHUSA-N 0 3 289.376 -1.356 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001507686138 894073177 /nfs/dbraw/zinc/07/31/77/894073177.db2.gz ZNCPSGAEJYCCFN-LLVKDONJSA-N 0 3 271.317 -1.040 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001507684017 894073220 /nfs/dbraw/zinc/07/32/20/894073220.db2.gz KSEGCALZYBRURD-WDEREUQCSA-N 0 3 287.360 -1.792 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001507604439 894075328 /nfs/dbraw/zinc/07/53/28/894075328.db2.gz PVIMTYPFBUFOOH-NSHDSACASA-N 0 3 270.333 -1.304 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001507696063 894075379 /nfs/dbraw/zinc/07/53/79/894075379.db2.gz OSMDVBVIVJZSEP-NWDGAFQWSA-N 0 3 289.376 -1.356 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001507696124 894077066 /nfs/dbraw/zinc/07/70/66/894077066.db2.gz OSMDVBVIVJZSEP-RYUDHWBXSA-N 0 3 289.376 -1.356 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001507686140 894077237 /nfs/dbraw/zinc/07/72/37/894077237.db2.gz ZNCPSGAEJYCCFN-NSHDSACASA-N 0 3 271.317 -1.040 20 0 CAADHN CC(C)(C)[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CC(N)=O ZINC001507907727 894079097 /nfs/dbraw/zinc/07/90/97/894079097.db2.gz SFFBYWBOOPAVJK-RKDXNWHRSA-N 0 3 284.360 -1.129 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001507697172 894080369 /nfs/dbraw/zinc/08/03/69/894080369.db2.gz PIBNGMLRYMDDCX-MXWKQRLJSA-N 0 3 287.360 -1.495 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](NC(=O)C(N)=O)C(C)(C)C ZINC001508015688 894081351 /nfs/dbraw/zinc/08/13/51/894081351.db2.gz CTBXJQCQEAEMQJ-SFYZADRCSA-N 0 3 272.349 -1.273 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](NC(=O)C(N)=O)C(C)(C)C ZINC001508015689 894082642 /nfs/dbraw/zinc/08/26/42/894082642.db2.gz CTBXJQCQEAEMQJ-YUMQZZPRSA-N 0 3 272.349 -1.273 20 0 CAADHN CC(C)(C)[C@H](CN[C@@H]1CCNC1=O)NC(=O)CC(N)=O ZINC001507907722 894083182 /nfs/dbraw/zinc/08/31/82/894083182.db2.gz SFFBYWBOOPAVJK-BDAKNGLRSA-N 0 3 284.360 -1.129 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@H](O)CN(C)CCO)nn1 ZINC001507716795 894083420 /nfs/dbraw/zinc/08/34/20/894083420.db2.gz ZHZZOUNXSOIVSJ-SNVBAGLBSA-N 0 3 285.348 -1.345 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)[C@H]1CCC(=O)N1 ZINC001508172144 894084072 /nfs/dbraw/zinc/08/40/72/894084072.db2.gz CQQYNAQADJHYHL-SECBINFHSA-N 0 3 286.332 -2.185 20 0 CAADHN O=C(Cn1ncnn1)NCC1=CCN(CCO)CC1 ZINC001508204371 894084523 /nfs/dbraw/zinc/08/45/23/894084523.db2.gz KLMUEPSLDCOEET-UHFFFAOYSA-N 0 3 266.305 -1.586 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)c1cn[nH]c1 ZINC001508174114 894084984 /nfs/dbraw/zinc/08/49/84/894084984.db2.gz MMCYEIXLSUHMSF-UHFFFAOYSA-N 0 3 283.332 -1.166 20 0 CAADHN CC(C)NC(=O)CNCCOCCN(C)C(=O)C(N)=O ZINC001508178170 894085442 /nfs/dbraw/zinc/08/54/42/894085442.db2.gz IURBWWDSPYMWQB-UHFFFAOYSA-N 0 3 288.348 -1.939 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)[C@H]1CCOC1 ZINC001508172140 894085475 /nfs/dbraw/zinc/08/54/75/894085475.db2.gz CMEKKTNOCOISQA-NSHDSACASA-N 0 3 287.360 -1.167 20 0 CAADHN CN(CCOCCN[C@H]1CCNC1=O)C(=O)c1cn[nH]c1 ZINC001508173084 894086567 /nfs/dbraw/zinc/08/65/67/894086567.db2.gz DHIZNAPWLIPKIW-NSHDSACASA-N 0 3 295.343 -1.024 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)[C@@H]1CCOC1 ZINC001508172138 894087434 /nfs/dbraw/zinc/08/74/34/894087434.db2.gz CMEKKTNOCOISQA-LLVKDONJSA-N 0 3 287.360 -1.167 20 0 CAADHN CCCN(C)CC(=O)NCC1CC(NC(=O)C(N)=O)C1 ZINC001508415530 894091016 /nfs/dbraw/zinc/09/10/16/894091016.db2.gz HNPYIDTXNQOTNH-UHFFFAOYSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CC)CC(=O)N[C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001510862316 894126007 /nfs/dbraw/zinc/12/60/07/894126007.db2.gz VHZXSYKPPPSQFC-NSHDSACASA-N 0 3 297.359 -1.042 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](CO)NC(=O)c1ccn[nH]1 ZINC001510942345 894137677 /nfs/dbraw/zinc/13/76/77/894137677.db2.gz WSUFDAVTFLJZAZ-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN C[C@H]1C(=O)NCCCN1C(=O)[C@@H]1CNCCN1C ZINC001514598297 894183109 /nfs/dbraw/zinc/18/31/09/894183109.db2.gz XQAZLPKBNWZFCJ-UWVGGRQHSA-N 0 3 254.334 -1.373 20 0 CAADHN COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)CNC1CC1 ZINC001514776718 894183403 /nfs/dbraw/zinc/18/34/03/894183403.db2.gz SJNLZCVJJQHPRZ-SECBINFHSA-N 0 3 269.301 -1.419 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001520902315 894198005 /nfs/dbraw/zinc/19/80/05/894198005.db2.gz ABMBUNYJPALHRV-UWVGGRQHSA-N 0 3 266.305 -1.348 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCCNc1cnccn1 ZINC001521439354 894204861 /nfs/dbraw/zinc/20/48/61/894204861.db2.gz OTRKNGNOIFSHCD-JTQLQIEISA-N 0 3 264.333 -1.092 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCc1nnnn1C1CC1 ZINC001521385427 894206170 /nfs/dbraw/zinc/20/61/70/894206170.db2.gz IRHJXTCDXPNWOL-SECBINFHSA-N 0 3 265.321 -1.472 20 0 CAADHN CCOC(=O)NCC(=O)N[C@@H]1COC2(CNC2)C1 ZINC001521971114 894211761 /nfs/dbraw/zinc/21/17/61/894211761.db2.gz CXCROSIFZDEVRG-QMMMGPOBSA-N 0 3 257.290 -1.020 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@H](O)c2cnc[nH]2)C1 ZINC001521913682 894212113 /nfs/dbraw/zinc/21/21/13/894212113.db2.gz VBLGPKMQEBGQGM-VHSXEESVSA-N 0 3 254.290 -1.110 20 0 CAADHN C[C@]1(C(=O)N[C@H]2COC3(CNC3)C2)CCNC1=O ZINC001521820757 894212699 /nfs/dbraw/zinc/21/26/99/894212699.db2.gz PNMYKUKEVDJIEL-KCJUWKMLSA-N 0 3 253.302 -1.240 20 0 CAADHN NC(=O)C1(C(=O)N[C@H]2COC3(CNC3)C2)CCC1 ZINC001521975612 894213121 /nfs/dbraw/zinc/21/31/21/894213121.db2.gz SZGAMKMMOQEQRE-MRVPVSSYSA-N 0 3 253.302 -1.111 20 0 CAADHN C[C@@]1(C(=O)N[C@@H]2COC3(CNC3)C2)CCNC1=O ZINC001521820756 894214455 /nfs/dbraw/zinc/21/44/55/894214455.db2.gz PNMYKUKEVDJIEL-GZMMTYOYSA-N 0 3 253.302 -1.240 20 0 CAADHN CN1CCNC[C@H]1C(=O)N[C@@H]1C(=O)NCC1(C)C ZINC001522481429 894218280 /nfs/dbraw/zinc/21/82/80/894218280.db2.gz HOXVYFGSVBUBSN-DTWKUNHWSA-N 0 3 254.334 -1.469 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1CCCn2nncc2C1 ZINC001522484753 894218634 /nfs/dbraw/zinc/21/86/34/894218634.db2.gz ZPYWDSQNAXNLHJ-NSHDSACASA-N 0 3 264.333 -1.086 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N[C@H]1C(=O)NCC1(C)C ZINC001522481427 894219878 /nfs/dbraw/zinc/21/98/78/894219878.db2.gz HOXVYFGSVBUBSN-BDAKNGLRSA-N 0 3 254.334 -1.469 20 0 CAADHN CCS(=O)(=O)CCCNC(=O)[C@H]1CNCCN1C ZINC001522311802 894219990 /nfs/dbraw/zinc/21/99/90/894219990.db2.gz OBNMPCCVWJWNFO-SNVBAGLBSA-N 0 3 277.390 -1.169 20 0 CAADHN CCS(=O)(=O)CCCNC(=O)[C@@H]1CNCCN1C ZINC001522311801 894220150 /nfs/dbraw/zinc/22/01/50/894220150.db2.gz OBNMPCCVWJWNFO-JTQLQIEISA-N 0 3 277.390 -1.169 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)[C@H]1COC(=O)N1)N(C)C ZINC001522613087 894241562 /nfs/dbraw/zinc/24/15/62/894241562.db2.gz VULLOGGHTNOGTA-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNC(=O)[C@H]2CCNC2=O)C1 ZINC001522784560 894250323 /nfs/dbraw/zinc/25/03/23/894250323.db2.gz GLWHLBFWCIYMHL-QWRGUYRKSA-N 0 3 296.371 -1.303 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001522784552 894250436 /nfs/dbraw/zinc/25/04/36/894250436.db2.gz GLWHLBFWCIYMHL-GHMZBOCLSA-N 0 3 296.371 -1.303 20 0 CAADHN CS(=O)(=O)CCCC(=O)N1CCNCCNCC1 ZINC001522998961 894263409 /nfs/dbraw/zinc/26/34/09/894263409.db2.gz OIQBQCSSFSCCTP-UHFFFAOYSA-N 0 3 277.390 -1.167 20 0 CAADHN CCN(CC)CC(=O)N[C@H]1C[C@H](NC(=O)CC(N)=O)C1 ZINC001524951487 894284515 /nfs/dbraw/zinc/28/45/15/894284515.db2.gz GYDWDTBBBNHDEK-MGCOHNPYSA-N 0 3 284.360 -1.033 20 0 CAADHN CCCN(C)CC(=O)NCCN(C)C(=O)C(N)=O ZINC001528480213 894329132 /nfs/dbraw/zinc/32/91/32/894329132.db2.gz RWVWKDOQZRXEBV-UHFFFAOYSA-N 0 3 258.322 -1.612 20 0 CAADHN CC(C)[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC001525140766 894289130 /nfs/dbraw/zinc/28/91/30/894289130.db2.gz QZCPDUKHZVZATC-OPRDCNLKSA-N 0 3 284.360 -1.179 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001525562472 894293531 /nfs/dbraw/zinc/29/35/31/894293531.db2.gz MQDGVWYDHJVOPO-DTORHVGOSA-N 0 3 270.333 -1.423 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001527107447 894309180 /nfs/dbraw/zinc/30/91/80/894309180.db2.gz AVTXCDHHSGWVTO-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001527107443 894311081 /nfs/dbraw/zinc/31/10/81/894311081.db2.gz AVTXCDHHSGWVTO-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCc2cnnn2C)C1 ZINC001527969813 894319061 /nfs/dbraw/zinc/31/90/61/894319061.db2.gz SZMBKYVVGNMJJJ-NSHDSACASA-N 0 3 268.321 -1.319 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001528067333 894323509 /nfs/dbraw/zinc/32/35/09/894323509.db2.gz JQMNMARKPWHFKA-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2cnn(CCO)c2)C1 ZINC001528110994 894324892 /nfs/dbraw/zinc/32/48/92/894324892.db2.gz VKZQSDIYFAUGHV-GFCCVEGCSA-N 0 3 268.317 -1.328 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001528418697 894328160 /nfs/dbraw/zinc/32/81/60/894328160.db2.gz UAZIFLZGUBQAOC-VHSXEESVSA-N 0 3 266.305 -1.659 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001528418695 894328460 /nfs/dbraw/zinc/32/84/60/894328460.db2.gz UAZIFLZGUBQAOC-NXEZZACHSA-N 0 3 266.305 -1.659 20 0 CAADHN CCN(CCNC(=O)C(N)=O)C(=O)C1(N(C)C)CCC1 ZINC001529069352 894341647 /nfs/dbraw/zinc/34/16/47/894341647.db2.gz IIRXGKBDAZSLMD-UHFFFAOYSA-N 0 3 284.360 -1.079 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001530420525 894356103 /nfs/dbraw/zinc/35/61/03/894356103.db2.gz GILBNTQZFXCILQ-SNVBAGLBSA-N 0 3 298.343 -1.238 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001530420524 894356192 /nfs/dbraw/zinc/35/61/92/894356192.db2.gz GILBNTQZFXCILQ-JTQLQIEISA-N 0 3 298.343 -1.238 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001530609625 894368041 /nfs/dbraw/zinc/36/80/41/894368041.db2.gz DBRRGQMTPXQDKC-JTQLQIEISA-N 0 3 297.359 -1.663 20 0 CAADHN CC[C@H](C(=O)NCC1CN(C(=O)C(N)=O)C1)N(C)C ZINC001530809705 894368842 /nfs/dbraw/zinc/36/88/42/894368842.db2.gz REXFFOVCFNLFTN-SECBINFHSA-N 0 3 270.333 -1.614 20 0 CAADHN CC1(C)CCN(CC(=O)N2CC(CNC(=O)C(N)=O)C2)C1 ZINC001530881831 894372858 /nfs/dbraw/zinc/37/28/58/894372858.db2.gz LOZUFKPXHRMSKI-UHFFFAOYSA-N 0 3 296.371 -1.222 20 0 CAADHN C[C@H]1CCN(CC(=O)NCC2CN(C(=O)C(N)=O)C2)C1 ZINC001530907838 894374097 /nfs/dbraw/zinc/37/40/97/894374097.db2.gz MBSOWPXSMQSTJZ-VIFPVBQESA-N 0 3 282.344 -1.612 20 0 CAADHN CCN1CCCC[C@H]1C(=O)N1CC(CNC(=O)C(N)=O)C1 ZINC001530883196 894375072 /nfs/dbraw/zinc/37/50/72/894375072.db2.gz YAOPSKKMDKBJJA-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CC[C@@H](C(=O)NCC1CN(C(=O)CC(N)=O)C1)N(C)C ZINC001530908546 894375177 /nfs/dbraw/zinc/37/51/77/894375177.db2.gz VBWBTFUWLSQIGV-JTQLQIEISA-N 0 3 284.360 -1.223 20 0 CAADHN CC[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C(N)=O ZINC001531485601 894380337 /nfs/dbraw/zinc/38/03/37/894380337.db2.gz GIDWECZRMDPFKV-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NC(=O)CN(CC)CC ZINC001531443342 894382703 /nfs/dbraw/zinc/38/27/03/894382703.db2.gz IGKBJNPZBVDYNN-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CC(C)N(C)CC(=O)NC/C=C\CNC(=O)C(N)=O ZINC001533537130 894416001 /nfs/dbraw/zinc/41/60/01/894416001.db2.gz TZEROQNVOCHGOJ-PLNGDYQASA-N 0 3 270.333 -1.400 20 0 CAADHN CC(C)N(C)CC(=O)NC/C=C/CNC(=O)C(N)=O ZINC001533537139 894416643 /nfs/dbraw/zinc/41/66/43/894416643.db2.gz TZEROQNVOCHGOJ-SNAWJCMRSA-N 0 3 270.333 -1.400 20 0 CAADHN CC(C)[C@H](C(=O)N[C@H](C)CNC(=O)C(N)=O)N(C)C ZINC001533846387 894418681 /nfs/dbraw/zinc/41/86/81/894418681.db2.gz LPFINFRPNGZWBD-RKDXNWHRSA-N 0 3 272.349 -1.321 20 0 CAADHN CC(C)[C@@H](C(=O)NC[C@@H](C)NC(=O)C(N)=O)N(C)C ZINC001533896642 894418985 /nfs/dbraw/zinc/41/89/85/894418985.db2.gz FUWPDOLUHMBBEV-BDAKNGLRSA-N 0 3 272.349 -1.321 20 0 CAADHN CCCN1CCC[C@@H]1C(=O)N[C@H](C)CNC(=O)C(N)=O ZINC001533766452 894420407 /nfs/dbraw/zinc/42/04/07/894420407.db2.gz XQAMCRKTZZDZMW-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(=O)NCC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001534651490 894427506 /nfs/dbraw/zinc/42/75/06/894427506.db2.gz KEHJONJAYHSCLC-NEPJUHHUSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C1(C(=O)N2CC[C@H]2CNC(=O)C(N)=O)CCC1 ZINC001535008415 894432343 /nfs/dbraw/zinc/43/23/43/894432343.db2.gz SFHCUGIFBRJMQM-VIFPVBQESA-N 0 3 282.344 -1.327 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCC1(NC(=O)CC(N)=O)CC1 ZINC001535696588 894439116 /nfs/dbraw/zinc/43/91/16/894439116.db2.gz KQENLQQCHIKGNY-UHFFFAOYSA-N 0 3 293.327 -1.099 20 0 CAADHN CN1CCN(CCCNC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001539128492 894451893 /nfs/dbraw/zinc/45/18/93/894451893.db2.gz OTILQFLSHSFLSU-JTQLQIEISA-N 0 3 287.364 -2.231 20 0 CAADHN CCN1CCN(CCC(=O)NC(C(N)=O)C(N)=O)CC1 ZINC001540647160 894456794 /nfs/dbraw/zinc/45/67/94/894456794.db2.gz LYLSZZYHDYGFDJ-UHFFFAOYSA-N 0 3 285.348 -2.531 20 0 CAADHN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CNCCN1C ZINC001548543526 894486322 /nfs/dbraw/zinc/48/63/22/894486322.db2.gz GTYALTDTIAYJNY-VWYCJHECSA-N 0 3 289.401 -1.076 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)[C@H]1CNCCN1C ZINC001548554506 894486772 /nfs/dbraw/zinc/48/67/72/894486772.db2.gz VSYMGQCAHGAPFK-NWDGAFQWSA-N 0 3 270.377 -1.273 20 0 CAADHN CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1CNCCN1C ZINC001548541907 894486814 /nfs/dbraw/zinc/48/68/14/894486814.db2.gz DTZXPXRMUNQKCL-VHSXEESVSA-N 0 3 277.390 -1.171 20 0 CAADHN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H]1CNCCN1C ZINC001548543523 894487010 /nfs/dbraw/zinc/48/70/10/894487010.db2.gz GTYALTDTIAYJNY-MXWKQRLJSA-N 0 3 289.401 -1.076 20 0 CAADHN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@H]1CNCCN1C ZINC001548543519 894487100 /nfs/dbraw/zinc/48/71/00/894487100.db2.gz GTYALTDTIAYJNY-GMTAPVOTSA-N 0 3 289.401 -1.076 20 0 CAADHN CC(C)NS(=O)(=O)CCNC(=O)[C@@H]1CNCCN1C ZINC001548536540 894487327 /nfs/dbraw/zinc/48/73/27/894487327.db2.gz NMWGMNVZBWXBBO-JTQLQIEISA-N 0 3 292.405 -1.666 20 0 CAADHN CN(CCN1CCOCC1)C(=O)[C@@H]1CNCCN1C ZINC001548557469 894487471 /nfs/dbraw/zinc/48/74/71/894487471.db2.gz PHSNXAHFRIVNER-LBPRGKRZSA-N 0 3 270.377 -1.319 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1CCCC[C@H]1CNC(N)=O ZINC001548538942 894487598 /nfs/dbraw/zinc/48/75/98/894487598.db2.gz XXZIIYXTVWOKNZ-WDEREUQCSA-N 0 3 283.376 -1.061 20 0 CAADHN O=C(CN1CSCC1=O)N[C@H]1COC2(CNC2)C1 ZINC001548569428 894490171 /nfs/dbraw/zinc/49/01/71/894490171.db2.gz NYVKGXPNMLBTEM-MRVPVSSYSA-N 0 3 271.342 -1.234 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1CCN(c2nccnn2)CC1 ZINC001548573625 894490550 /nfs/dbraw/zinc/49/05/50/894490550.db2.gz KFPVVEVHAZPXQS-NSHDSACASA-N 0 3 291.359 -1.576 20 0 CAADHN C[C@H]1CN2CCN1C[C@H]2C(=O)NCCN1CCC(O)CC1 ZINC001548715821 894496986 /nfs/dbraw/zinc/49/69/86/894496986.db2.gz SQEYOJYOXIXHCP-JSGCOSHPSA-N 0 3 296.415 -1.052 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCN1CCC(O)CC1 ZINC001548715825 894497977 /nfs/dbraw/zinc/49/79/77/894497977.db2.gz SQEYOJYOXIXHCP-TZMCWYRMSA-N 0 3 296.415 -1.052 20 0 CAADHN COCc1n[nH]c(CNC(=O)[C@H]2CN3CCN2C[C@H]3C)n1 ZINC001548727884 894499036 /nfs/dbraw/zinc/49/90/36/894499036.db2.gz OLRZJEYOUNBRLU-NXEZZACHSA-N 0 3 294.359 -1.044 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001548725138 894499496 /nfs/dbraw/zinc/49/94/96/894499496.db2.gz OLOXLMAJKOLYLA-BNOWGMLFSA-N 0 3 294.399 -1.348 20 0 CAADHN C[C@H]1CN2CCN1C[C@@H]2C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001548726881 894500135 /nfs/dbraw/zinc/50/01/35/894500135.db2.gz OLDGGXWSWBTPDH-IGQOVBAYSA-N 0 3 294.399 -1.348 20 0 CAADHN Cn1ccnc1[C@H]1CNCCN1C(=O)[C@H]1CNCCO1 ZINC001549043871 894506598 /nfs/dbraw/zinc/50/65/98/894506598.db2.gz REHGZOHOTYUWCU-GHMZBOCLSA-N 0 3 279.344 -1.119 20 0 CAADHN O=C([C@@H]1COCCN1)N1CC[C@H]2OCCN[C@H]2C1 ZINC001549045158 894508711 /nfs/dbraw/zinc/50/87/11/894508711.db2.gz ZCPGNAPIFDJCMK-GARJFASQSA-N 0 3 255.318 -1.436 20 0 CAADHN C[C@H]1CN(C(=O)CN)C[C@@H]1C(=O)N1CCOCC1 ZINC001549171731 894511911 /nfs/dbraw/zinc/51/19/11/894511911.db2.gz AKJRXXWPDMEFON-UWVGGRQHSA-N 0 3 255.318 -1.102 20 0 CAADHN NCc1cn([C@H]2CCCN(C(=O)C3(O)CNC3)C2)nn1 ZINC001549293807 894513759 /nfs/dbraw/zinc/51/37/59/894513759.db2.gz RKACTDDXBNPECW-JTQLQIEISA-N 0 3 280.332 -1.765 20 0 CAADHN CN(C)[C@@H]1CN(c2nnnn2C)C[C@H]1n1ccnn1 ZINC001549559985 894518151 /nfs/dbraw/zinc/51/81/51/894518151.db2.gz ICZLURZBXRQPQX-RKDXNWHRSA-N 0 3 263.309 -1.207 20 0 CAADHN Cn1cnc([C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2N)c1 ZINC001549731934 894521486 /nfs/dbraw/zinc/52/14/86/894521486.db2.gz BLUVDHSNNCSSDY-UWVGGRQHSA-N 0 3 298.368 -1.282 20 0 CAADHN CN(C)S(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1CO ZINC001549903335 894524981 /nfs/dbraw/zinc/52/49/81/894524981.db2.gz FMBNRQWTWOYGGX-NXEZZACHSA-N 0 3 263.363 -1.066 20 0 CAADHN CCNS(=O)(=O)N1C[C@H]2CCCN2C[C@H]1CO ZINC001549902934 894525101 /nfs/dbraw/zinc/52/51/01/894525101.db2.gz CCLWGFRDTITXJU-ZJUUUORDSA-N 0 3 263.363 -1.018 20 0 CAADHN CCNS(=O)(=O)N1C[C@@H]2CCCN2C[C@H]1CO ZINC001549902933 894526424 /nfs/dbraw/zinc/52/64/24/894526424.db2.gz CCLWGFRDTITXJU-UWVGGRQHSA-N 0 3 263.363 -1.018 20 0 CAADHN CC[C@@H](N)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001550074964 894527235 /nfs/dbraw/zinc/52/72/35/894527235.db2.gz IWGUKWZLJNRTFQ-LLVKDONJSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@@H]1OCCN[C@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550096578 894528532 /nfs/dbraw/zinc/52/85/32/894528532.db2.gz LPWOMWIWOMHQRZ-MVWJERBFSA-N 0 3 294.359 -1.113 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC1=O ZINC001550094613 894528671 /nfs/dbraw/zinc/52/86/71/894528671.db2.gz VGVKOOSIYYERAJ-MWLCHTKSSA-N 0 3 292.343 -1.012 20 0 CAADHN C[C@@H]1OCCN[C@@H]1C(=O)N1CC[C@@H](n2cc(CN)nn2)C1 ZINC001550096579 894529273 /nfs/dbraw/zinc/52/92/73/894529273.db2.gz LPWOMWIWOMHQRZ-WCQGTBRESA-N 0 3 294.359 -1.113 20 0 CAADHN CC1(N2CCOCC2)CCN(C(=O)CNC(=O)CN)CC1 ZINC001550076417 894529921 /nfs/dbraw/zinc/52/99/21/894529921.db2.gz WAQTWTJXYPWGJS-UHFFFAOYSA-N 0 3 298.387 -1.225 20 0 CAADHN CN1CCN([C@H]2CCN(C(=O)[C@@H]3CNCCO3)C2)CC1 ZINC001550115798 894530135 /nfs/dbraw/zinc/53/01/35/894530135.db2.gz FYWWRNNTBUEVNO-STQMWFEESA-N 0 3 282.388 -1.177 20 0 CAADHN CN1CCN([C@@H]2CCN(C(=O)[C@H]3CNCCO3)C2)CC1 ZINC001550115795 894530152 /nfs/dbraw/zinc/53/01/52/894530152.db2.gz FYWWRNNTBUEVNO-CHWSQXEVSA-N 0 3 282.388 -1.177 20 0 CAADHN CN1CC[C@@H](N2CCC(NC(=O)C3(O)CNC3)CC2)C1=O ZINC001550092563 894530262 /nfs/dbraw/zinc/53/02/62/894530262.db2.gz IRXCMPVTUKHSEA-LLVKDONJSA-N 0 3 296.371 -1.868 20 0 CAADHN COC[C@H](N)C(=O)N1CC[C@@H](N2CCN(C)CC2)C1 ZINC001550116356 894530520 /nfs/dbraw/zinc/53/05/20/894530520.db2.gz MXOOJTSGHSGTNT-NEPJUHHUSA-N 0 3 270.377 -1.192 20 0 CAADHN CO[C@H](CN)C(=O)N1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC001550184871 894531750 /nfs/dbraw/zinc/53/17/50/894531750.db2.gz KLZCTEAMIFARRT-IJLUTSLNSA-N 0 3 299.371 -1.087 20 0 CAADHN CN1CCN([C@@H]2CCN(C(=O)[C@H]3COCCN3)C2)CC1 ZINC001550116741 894531802 /nfs/dbraw/zinc/53/18/02/894531802.db2.gz RJKGJUISIIWERY-CHWSQXEVSA-N 0 3 282.388 -1.177 20 0 CAADHN CN(C)[C@@H]1CN(CCn2cnnn2)C[C@H]1n1ccnn1 ZINC001550135434 894533275 /nfs/dbraw/zinc/53/32/75/894533275.db2.gz BYHCTCSUQZAYFJ-GHMZBOCLSA-N 0 3 277.336 -1.248 20 0 CAADHN CN(C)[C@H]1CN(CCn2cnnn2)C[C@@H]1n1ccnn1 ZINC001550135435 894533344 /nfs/dbraw/zinc/53/33/44/894533344.db2.gz BYHCTCSUQZAYFJ-QWRGUYRKSA-N 0 3 277.336 -1.248 20 0 CAADHN CO[C@H](CN)C(=O)N1C[C@H](C)[C@@H](C(=O)N2CCOCC2)C1 ZINC001550184873 894534090 /nfs/dbraw/zinc/53/40/90/894534090.db2.gz KLZCTEAMIFARRT-SDDRHHMPSA-N 0 3 299.371 -1.087 20 0 CAADHN C[C@H](O)[C@H](O)CN1C[C@@H](N(C)C)[C@H](n2ccnn2)C1 ZINC001550538864 894537029 /nfs/dbraw/zinc/53/70/29/894537029.db2.gz VYMOUUGGBTVEGJ-IRCOFANPSA-N 0 3 269.349 -1.193 20 0 CAADHN CNC(=O)NC(=O)CN1C[C@H]2COCC[C@]2(C(=O)NC)C1 ZINC001551415244 894537686 /nfs/dbraw/zinc/53/76/86/894537686.db2.gz CNMJQQRVBOLBNS-ZANVPECISA-N 0 3 298.343 -1.474 20 0 CAADHN CNC(=O)[C@@]12CN(C(=O)[C@H](C)N)C[C@H]1COCC2 ZINC001551407161 894538201 /nfs/dbraw/zinc/53/82/01/894538201.db2.gz GKGOEWDXYAILJR-AUTRQRHGSA-N 0 3 255.318 -1.055 20 0 CAADHN CNC(=O)NC(=O)CN1C[C@H]2COCC[C@@]2(C(=O)NC)C1 ZINC001551415242 894538497 /nfs/dbraw/zinc/53/84/97/894538497.db2.gz CNMJQQRVBOLBNS-TVQRCGJNSA-N 0 3 298.343 -1.474 20 0 CAADHN CNC(=O)NC(=O)CN1C[C@@H]2COCC[C@@]2(C(=O)NC)C1 ZINC001551415228 894538817 /nfs/dbraw/zinc/53/88/17/894538817.db2.gz CNMJQQRVBOLBNS-NOZJJQNGSA-N 0 3 298.343 -1.474 20 0 CAADHN O=C(N1CC[C@@H](N2CC[C@H](O)C2)C1)C1(O)COC1 ZINC001556503139 894576977 /nfs/dbraw/zinc/57/69/77/894576977.db2.gz KKDGQIQLMBXSSM-ZJUUUORDSA-N 0 3 256.302 -1.585 20 0 CAADHN CC[C@@H]1CN(C(=O)Cn2nnc(N)n2)C[C@H](C)N1 ZINC001557661773 894601882 /nfs/dbraw/zinc/60/18/82/894601882.db2.gz QWDSEPQGBCTZLG-JGVFFNPUSA-N 0 3 253.310 -1.146 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)Cn2nnc(N)n2)CCN1 ZINC001557573382 894603000 /nfs/dbraw/zinc/60/30/00/894603000.db2.gz AYRMQBGMBIYRKS-QMMMGPOBSA-N 0 3 253.310 -1.288 20 0 CAADHN Cc1nn(CC(=O)NCCN(C)CCO)c(=O)o1 ZINC001558359440 894618707 /nfs/dbraw/zinc/61/87/07/894618707.db2.gz ZWTCABQFZICTFN-UHFFFAOYSA-N 0 3 258.278 -1.815 20 0 CAADHN CN(CCO)CCNC(=O)C1(S(N)(=O)=O)CC1 ZINC001558359268 894619331 /nfs/dbraw/zinc/61/93/31/894619331.db2.gz XBYZUTWWJJESPY-UHFFFAOYSA-N 0 3 265.335 -2.152 20 0 CAADHN CN(CCO)CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001558358922 894619561 /nfs/dbraw/zinc/61/95/61/894619561.db2.gz JVLAEZHWTBZIQR-UHFFFAOYSA-N 0 3 286.332 -1.643 20 0 CAADHN COC(=O)NCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001558548843 894621656 /nfs/dbraw/zinc/62/16/56/894621656.db2.gz IIDXZMAZLGVQLJ-QMMMGPOBSA-N 0 3 257.290 -1.068 20 0 CAADHN C[N@H+](CCNC(=O)[C@@H]1CN2CCN1CCC2)CC(=O)[O-] ZINC001598490957 992291044 /nfs/dbraw/zinc/29/10/44/992291044.db2.gz LLLSDORYHABIEY-NSHDSACASA-N 0 3 284.360 -1.491 20 0 CAADHN C[N@@H+](CCNC(=O)[C@@H]1CN2CCN1CCC2)CC(=O)[O-] ZINC001598490957 992291060 /nfs/dbraw/zinc/29/10/60/992291060.db2.gz LLLSDORYHABIEY-NSHDSACASA-N 0 3 284.360 -1.491 20 0 CAADHN C[N@H+](CCNC(=O)[C@H]1CN2CCN1CCC2)CC(=O)[O-] ZINC001598490955 992291727 /nfs/dbraw/zinc/29/17/27/992291727.db2.gz LLLSDORYHABIEY-LLVKDONJSA-N 0 3 284.360 -1.491 20 0 CAADHN C[N@@H+](CCNC(=O)[C@H]1CN2CCN1CCC2)CC(=O)[O-] ZINC001598490955 992291737 /nfs/dbraw/zinc/29/17/37/992291737.db2.gz LLLSDORYHABIEY-LLVKDONJSA-N 0 3 284.360 -1.491 20 0 CAADHN COCC[C@H](N)C(=O)N1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001599213602 997545096 /nfs/dbraw/zinc/54/50/96/997545096.db2.gz OLMFXNIUYASWBD-IUCAKERBSA-N 0 3 259.306 -1.375 20 0 CAADHN O=C(C[C@H]1CNCCO1)NCCN1CCOCC1 ZINC000091299125 230163968 /nfs/dbraw/zinc/16/39/68/230163968.db2.gz POPHOISHVJHPKN-NSHDSACASA-N 0 3 257.334 -1.187 20 0 CAADHN CN(C)C[C@H]1CN(CCN2C(=O)CNC2=O)CCO1 ZINC000105924187 230169456 /nfs/dbraw/zinc/16/94/56/230169456.db2.gz MFZRDVBUAOPPFJ-JTQLQIEISA-N 0 3 270.333 -1.199 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)CCN(C)C ZINC000119189163 230172989 /nfs/dbraw/zinc/17/29/89/230172989.db2.gz VHHDHGUJTCUELG-UHFFFAOYSA-N 0 3 251.352 -1.054 20 0 CAADHN OCCCN(CCO)C[C@H](O)CN1CCOCC1 ZINC000118003798 230173497 /nfs/dbraw/zinc/17/34/97/230173497.db2.gz VQCYEVIDOGULBL-LBPRGKRZSA-N 0 3 262.350 -1.644 20 0 CAADHN COCCNCCNC(=O)Cn1nc2ccccn2c1=O ZINC000152203831 230179431 /nfs/dbraw/zinc/17/94/31/230179431.db2.gz USMFXMGRQGCSHU-UHFFFAOYSA-N 0 3 293.327 -1.152 20 0 CAADHN CN(C)CCN1C(=O)C[C@@H](N2CCC[C@@H](C(N)=O)C2)C1=O ZINC000359204698 282098207 /nfs/dbraw/zinc/09/82/07/282098207.db2.gz JGXHQRUKQGBFPN-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN CC[C@@H]1CN(C(=O)[C@@H](N)CC(N)=O)CCN1CCOC ZINC000353702358 529374555 /nfs/dbraw/zinc/37/45/55/529374555.db2.gz KPXISBKFSZVIEE-MNOVXSKESA-N 0 3 286.376 -1.242 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000227362358 230212615 /nfs/dbraw/zinc/21/26/15/230212615.db2.gz NGWXHSBQDHUTQQ-QWRGUYRKSA-N 0 3 285.344 -1.190 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)[C@H](CN)OC ZINC000227368759 230213101 /nfs/dbraw/zinc/21/31/01/230213101.db2.gz ICGYXLHQFPHYKI-VIFPVBQESA-N 0 3 261.322 -1.429 20 0 CAADHN COCCNCC(=O)NCCCNS(C)(=O)=O ZINC000226315135 230213898 /nfs/dbraw/zinc/21/38/98/230213898.db2.gz WFLYHPWNIQBTKH-UHFFFAOYSA-N 0 3 267.351 -1.722 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H](O)C1 ZINC000339399907 282106647 /nfs/dbraw/zinc/10/66/47/282106647.db2.gz KRVQAEUZGQPEPO-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN COC[C@H](C)NC(=O)NC(=O)CN1CCNCC1 ZINC000261610686 230218916 /nfs/dbraw/zinc/21/89/16/230218916.db2.gz ARNBGWZORKOEAC-VIFPVBQESA-N 0 3 258.322 -1.248 20 0 CAADHN NC(=O)C[C@H](N)C(=O)N1CCN(C2CCC2)CC1 ZINC000261893430 230220456 /nfs/dbraw/zinc/22/04/56/230220456.db2.gz ALLCCROMDBSBDR-JTQLQIEISA-N 0 3 254.334 -1.114 20 0 CAADHN COC[C@H](N)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000262277428 230226112 /nfs/dbraw/zinc/22/61/12/230226112.db2.gz LFUUUZBJPOZUQI-DCAQKATOSA-N 0 3 259.350 -1.126 20 0 CAADHN COC[C@H](N)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000262271801 230226387 /nfs/dbraw/zinc/22/63/87/230226387.db2.gz KNMQVVTZXDKZPH-NSHDSACASA-N 0 3 286.376 -1.417 20 0 CAADHN COC[C@H](N)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000262223297 230227238 /nfs/dbraw/zinc/22/72/38/230227238.db2.gz FVPMHLPXHMKIQW-LBPRGKRZSA-N 0 3 298.387 -1.273 20 0 CAADHN C[C@H]1CCCN(CCNC(=O)CNC(=O)CN)C1 ZINC000262463103 230227759 /nfs/dbraw/zinc/22/77/59/230227759.db2.gz XWXWXDCBJWCEBZ-JTQLQIEISA-N 0 3 256.350 -1.091 20 0 CAADHN COC[C@H](N)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000262277410 230226085 /nfs/dbraw/zinc/22/60/85/230226085.db2.gz LFUUUZBJPOZUQI-AXFHLTTASA-N 0 3 259.350 -1.126 20 0 CAADHN C[C@H](N)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000262449449 230228058 /nfs/dbraw/zinc/22/80/58/230228058.db2.gz DXIFMLYLPCJKEN-UWVGGRQHSA-N 0 3 293.389 -1.062 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCNc1ccncc1 ZINC000343199865 230239528 /nfs/dbraw/zinc/23/95/28/230239528.db2.gz IIOKPLGSBXLVPV-UHFFFAOYSA-N 0 3 286.357 -1.029 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCNCC1 ZINC000419534204 230254645 /nfs/dbraw/zinc/25/46/45/230254645.db2.gz JPSVFXKSWKTRJN-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN Cn1cc(N2CC[C@@H](NC(=O)[C@@H]3C[C@@H]3N)C2=O)cn1 ZINC000424134670 230277556 /nfs/dbraw/zinc/27/75/56/230277556.db2.gz YPMWMENYTNUQDK-KXUCPTDWSA-N 0 3 263.301 -1.011 20 0 CAADHN O=C(NCCN1CCCOCC1)[C@H]1CNCCO1 ZINC000424177779 230277797 /nfs/dbraw/zinc/27/77/97/230277797.db2.gz VEVZKSGOTBZSKQ-LLVKDONJSA-N 0 3 257.334 -1.187 20 0 CAADHN Cc1cc(CN)cc(NC(=O)C(=O)NC[C@H](O)CO)c1 ZINC000424463472 230282219 /nfs/dbraw/zinc/28/22/19/230282219.db2.gz GZGFBYKKTKFRBC-NSHDSACASA-N 0 3 281.312 -1.138 20 0 CAADHN COCC(C)(C)N1CCN(C(=O)C(=O)NCCN)CC1 ZINC000424520849 230282451 /nfs/dbraw/zinc/28/24/51/230282451.db2.gz LBYQQKPXMFBONM-UHFFFAOYSA-N 0 3 286.376 -1.370 20 0 CAADHN COCC(C)(C)N1CCN(C(=O)CNC(=O)CN)CC1 ZINC000424217065 230282485 /nfs/dbraw/zinc/28/24/85/230282485.db2.gz KJLLFQIGUORHRU-UHFFFAOYSA-N 0 3 286.376 -1.370 20 0 CAADHN CN(C)C[C@@H]1CN(C(=O)[C@H]2COCCN2)CCO1 ZINC000424181428 230278504 /nfs/dbraw/zinc/27/85/04/230278504.db2.gz RGCHGULVLJCSFZ-GHMZBOCLSA-N 0 3 257.334 -1.236 20 0 CAADHN CN(C)CCNC(=O)N[C@H]1CCC(=O)N(C)C1=O ZINC000425846034 230288304 /nfs/dbraw/zinc/28/83/04/230288304.db2.gz LNZAPVJECNMRQF-QMMMGPOBSA-N 0 3 256.306 -1.005 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC2(C(N)=O)CC2)CC1=O ZINC000426910588 230288644 /nfs/dbraw/zinc/28/86/44/230288644.db2.gz ARMQTJDFCUIGKT-SECBINFHSA-N 0 3 282.344 -1.469 20 0 CAADHN CC[C@H](CO)N1CCN(CCNS(C)(=O)=O)CC1 ZINC000075958785 529387390 /nfs/dbraw/zinc/38/73/90/529387390.db2.gz XJMQPHNSTQOMTF-LLVKDONJSA-N 0 3 279.406 -1.076 20 0 CAADHN [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000429176964 230298397 /nfs/dbraw/zinc/29/83/97/230298397.db2.gz PZZFOMHNRHRQRD-YUMQZZPRSA-N 0 3 254.290 -1.218 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)CNC[C@@H]1CCCO1 ZINC000430197246 230305280 /nfs/dbraw/zinc/30/52/80/230305280.db2.gz OIYOQMZHHDKQMZ-JTQLQIEISA-N 0 3 293.389 -1.190 20 0 CAADHN O=C(CN1CCNCC1=O)N1CCN2CCC[C@H]2C1 ZINC000430735210 230306659 /nfs/dbraw/zinc/30/66/59/230306659.db2.gz PNYQOILUYZMBAA-NSHDSACASA-N 0 3 266.345 -1.275 20 0 CAADHN NC1(C(=O)NCC(=O)NCCN2CCOCC2)CCCC1 ZINC000431065660 230312799 /nfs/dbraw/zinc/31/27/99/230312799.db2.gz ORGPWCXOHLWLCA-UHFFFAOYSA-N 0 3 298.387 -1.178 20 0 CAADHN C[C@H]1[NH2+]CCC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000434704044 230317927 /nfs/dbraw/zinc/31/79/27/230317927.db2.gz CNEBZGXFGLXJIG-HTQZYQBOSA-N 0 3 254.290 -1.205 20 0 CAADHN CN(C)C[C@@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000435886917 230320199 /nfs/dbraw/zinc/32/01/99/230320199.db2.gz DCMQXHKMNQBTJJ-GFCCVEGCSA-N 0 3 296.371 -1.154 20 0 CAADHN CN(C)C[C@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000435886918 230321662 /nfs/dbraw/zinc/32/16/62/230321662.db2.gz DCMQXHKMNQBTJJ-LBPRGKRZSA-N 0 3 296.371 -1.154 20 0 CAADHN COCCCN(CCO)Cc1cn(C)c(=O)n(C)c1=O ZINC000438343924 230323359 /nfs/dbraw/zinc/32/33/59/230323359.db2.gz VDNYVBZPKHKDPO-UHFFFAOYSA-N 0 3 285.344 -1.085 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN(CCO)CCO)C[C@@H](C)O1 ZINC000441506436 230328329 /nfs/dbraw/zinc/32/83/29/230328329.db2.gz OHKNHWLTTKJIJP-JHJVBQTASA-N 0 3 276.377 -1.257 20 0 CAADHN COC[C@@](C)(CCO)NCCN1C(=O)CNC1=O ZINC000444231449 230334415 /nfs/dbraw/zinc/33/44/15/230334415.db2.gz FHFCMUHCDKHGIL-LLVKDONJSA-N 0 3 259.306 -1.085 20 0 CAADHN CN(C)CCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC000444097717 230334604 /nfs/dbraw/zinc/33/46/04/230334604.db2.gz OEGRSSKVBGUPII-UHFFFAOYSA-N 0 3 256.350 -1.220 20 0 CAADHN O=C(CN1CN=NC1=O)NC[C@@H](O)CN1CCCCC1 ZINC000444239566 230336034 /nfs/dbraw/zinc/33/60/34/230336034.db2.gz OOTZWAKLAZPFRH-SNVBAGLBSA-N 0 3 283.332 -1.053 20 0 CAADHN [NH3+][C@H]1CCC[C@H](NC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000446395160 230339073 /nfs/dbraw/zinc/33/90/73/230339073.db2.gz BLFKQSNIRWBJPR-YUMQZZPRSA-N 0 3 254.290 -1.076 20 0 CAADHN CC[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC ZINC000494858316 529441266 /nfs/dbraw/zinc/44/12/66/529441266.db2.gz JJJLHGSKPOCODQ-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC ZINC000494858315 529441398 /nfs/dbraw/zinc/44/13/98/529441398.db2.gz JJJLHGSKPOCODQ-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](N)C(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000430834061 529441765 /nfs/dbraw/zinc/44/17/65/529441765.db2.gz VGRBZSHHDAQDAC-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN O=C(NCCN1CCCS1(=O)=O)[C@H]1C[C@H](F)CN1 ZINC000446377126 230339968 /nfs/dbraw/zinc/33/99/68/230339968.db2.gz PDRKSCUJYJEOOX-DTWKUNHWSA-N 0 3 279.337 -1.162 20 0 CAADHN CC[C@H](Nc1nc(NCCO)nc(NC(C)C)n1)[C@@H](C)O ZINC000450805219 529455237 /nfs/dbraw/zinc/45/52/37/529455237.db2.gz ZQANYWKFDJGUBL-ZJUUUORDSA-N 0 3 298.391 -1.067 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000459899530 230351543 /nfs/dbraw/zinc/35/15/43/230351543.db2.gz QSFZXKBOACNFEK-UHFFFAOYSA-N 0 3 296.371 -1.160 20 0 CAADHN CN(C)[C@H]1CCCN(C(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000459828365 230352520 /nfs/dbraw/zinc/35/25/20/230352520.db2.gz CJZBOQNBCRKFAD-JTQLQIEISA-N 0 3 282.344 -1.503 20 0 CAADHN CN(C)CCOCCNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000471663508 230354993 /nfs/dbraw/zinc/35/49/93/230354993.db2.gz QBQDUUHBGCLQQA-JTQLQIEISA-N 0 3 288.348 -1.540 20 0 CAADHN CC[C@@H](CO)N1CCN(CCNS(C)(=O)=O)CC1 ZINC000075958784 529509356 /nfs/dbraw/zinc/50/93/56/529509356.db2.gz XJMQPHNSTQOMTF-NSHDSACASA-N 0 3 279.406 -1.076 20 0 CAADHN O=C(COC1CNC1)NCCN1CCCOCC1 ZINC000576397442 335198680 /nfs/dbraw/zinc/19/86/80/335198680.db2.gz NLNTUALVUPYXNX-UHFFFAOYSA-N 0 3 257.334 -1.187 20 0 CAADHN CN(C)C/C=C/C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000491962179 230361350 /nfs/dbraw/zinc/36/13/50/230361350.db2.gz JKVXYKQOVWNWOK-RTMURIBGSA-N 0 3 254.290 -1.149 20 0 CAADHN CN(C)C/C=C/C(=O)NCC(=O)NCCN1CCOCC1 ZINC000491895199 230361361 /nfs/dbraw/zinc/36/13/61/230361361.db2.gz VVPPCZKGZYIZIV-ONEGZZNKSA-N 0 3 298.387 -1.331 20 0 CAADHN CN(C)C/C=C\C(=O)NCCN1CCNC(=O)C1 ZINC000492490883 230362889 /nfs/dbraw/zinc/36/28/89/230362889.db2.gz IZNGIXUIUWUVGF-ARJAWSKDSA-N 0 3 254.334 -1.348 20 0 CAADHN CN(C)C/C=C/C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000493386121 230363253 /nfs/dbraw/zinc/36/32/53/230363253.db2.gz KYBPKUFWWCNCHG-PYEVWLCESA-N 0 3 255.318 -1.057 20 0 CAADHN COCCN(C)CCCNC(=O)NCc1nnn(C)n1 ZINC000494712467 230363499 /nfs/dbraw/zinc/36/34/99/230363499.db2.gz VQGJZAHMUGLRFC-UHFFFAOYSA-N 0 3 285.352 -1.022 20 0 CAADHN CC[C@H](C(=O)N1CCN(CC(N)=O)CC1)N(C)C ZINC000178477229 529598194 /nfs/dbraw/zinc/59/81/94/529598194.db2.gz CTINCERXXAHZPZ-SNVBAGLBSA-N 0 3 256.350 -1.044 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001191781081 781922008 /nfs/dbraw/zinc/92/20/08/781922008.db2.gz MAYWTGGSFUGORS-JTQLQIEISA-N 0 3 298.347 -1.635 20 0 CAADHN CC[C@H](O)CNc1nc(NC)nc(NC[C@@H](O)CC)n1 ZINC000420633510 529702799 /nfs/dbraw/zinc/70/27/99/529702799.db2.gz YPMUPBJDRHRMDE-IUCAKERBSA-N 0 3 284.364 -1.455 20 0 CAADHN CN(C)CCN1C(=O)C[C@@H](N[C@@H]2CCC(=O)N(C)C2)C1=O ZINC000573455284 334939181 /nfs/dbraw/zinc/93/91/81/334939181.db2.gz GVXMERVLQHCECB-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN CN1CCN(CCNC(=O)NC(CO)CO)CC1(C)C ZINC000442592539 529772016 /nfs/dbraw/zinc/77/20/16/529772016.db2.gz LAGSQULOMBZZEK-UHFFFAOYSA-N 0 3 288.392 -1.335 20 0 CAADHN CN1CCN(c2ncc(CNC[C@@H](O)CO)cn2)CC1 ZINC000347497679 529778076 /nfs/dbraw/zinc/77/80/76/529778076.db2.gz FIZZRPXHMLETCX-GFCCVEGCSA-N 0 3 281.360 -1.329 20 0 CAADHN CN(C)c1nc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc(=O)[n-]1 ZINC000423986729 529804269 /nfs/dbraw/zinc/80/42/69/529804269.db2.gz GNQOJQBDXGIWFR-QMMMGPOBSA-N 0 3 281.316 -1.034 20 0 CAADHN CN1CC[C@H]2CCN(C(=O)C(=O)N3CCNCC3)[C@H]2C1 ZINC000423558005 529807352 /nfs/dbraw/zinc/80/73/52/529807352.db2.gz IVGXHFASTVPLOQ-RYUDHWBXSA-N 0 3 280.372 -1.029 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CN2CCOCC2=O)C1 ZINC000344608125 529809114 /nfs/dbraw/zinc/80/91/14/529809114.db2.gz JMSXNYHLSSWDMX-LBPRGKRZSA-N 0 3 271.317 -1.972 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001191873002 781923497 /nfs/dbraw/zinc/92/34/97/781923497.db2.gz PMKPGOFXRPWJOD-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC(CO)C3)[C@@H]2C1 ZINC000425387328 529821502 /nfs/dbraw/zinc/82/15/02/529821502.db2.gz NHJSFSYDAANSKW-NWDGAFQWSA-N 0 3 281.356 -1.010 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000195169921 529862938 /nfs/dbraw/zinc/86/29/38/529862938.db2.gz KQFUCBRZGZJBOL-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@@H](N)CCSC)CC1 ZINC000044363742 529863000 /nfs/dbraw/zinc/86/30/00/529863000.db2.gz IOCCAXSORVIPKP-JTQLQIEISA-N 0 3 288.417 -1.043 20 0 CAADHN CNC(=O)CNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347074214 529864135 /nfs/dbraw/zinc/86/41/35/529864135.db2.gz UGQVTAVRXVECBU-VIFPVBQESA-N 0 3 258.322 -1.248 20 0 CAADHN CNC(=O)CNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347074212 529864256 /nfs/dbraw/zinc/86/42/56/529864256.db2.gz UGQVTAVRXVECBU-SECBINFHSA-N 0 3 258.322 -1.248 20 0 CAADHN CNC(=O)CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000345035914 529858434 /nfs/dbraw/zinc/85/84/34/529858434.db2.gz LZEGQTINALIKLH-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN CNC(=O)CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000345035916 529858473 /nfs/dbraw/zinc/85/84/73/529858473.db2.gz LZEGQTINALIKLH-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN CN(CCC(=O)NC(N)=O)C[C@@H](O)CN1CCOCC1 ZINC000435004533 529870890 /nfs/dbraw/zinc/87/08/90/529870890.db2.gz SYZAXVGHGWAODB-SNVBAGLBSA-N 0 3 288.348 -1.804 20 0 CAADHN CN(CCC(=O)NC(N)=O)CCN1CCOCC1 ZINC000112612598 529871236 /nfs/dbraw/zinc/87/12/36/529871236.db2.gz KUNLYVKVJBFIRB-UHFFFAOYSA-N 0 3 258.322 -1.165 20 0 CAADHN CN(CCC(=O)NC(N)=O)C[C@H](O)CN1CCOCC1 ZINC000435004532 529871285 /nfs/dbraw/zinc/87/12/85/529871285.db2.gz SYZAXVGHGWAODB-JTQLQIEISA-N 0 3 288.348 -1.804 20 0 CAADHN CNC(=O)N1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000347866006 529878336 /nfs/dbraw/zinc/87/83/36/529878336.db2.gz AXEQFERJMRMVNI-MRVPVSSYSA-N 0 3 277.346 -1.097 20 0 CAADHN CNC(=O)N1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000347866014 529878587 /nfs/dbraw/zinc/87/85/87/529878587.db2.gz AXEQFERJMRMVNI-QMMMGPOBSA-N 0 3 277.346 -1.097 20 0 CAADHN CNC(=O)NC(=O)CCN(C)CC(C)(CO)CO ZINC000340195269 529879067 /nfs/dbraw/zinc/87/90/67/529879067.db2.gz DDLRIRKATGIUOO-UHFFFAOYSA-N 0 3 261.322 -1.245 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCC[C@H]1C(=O)NC ZINC000429780688 529880357 /nfs/dbraw/zinc/88/03/57/529880357.db2.gz CLOIENONPAFMFW-SFYZADRCSA-N 0 3 256.306 -1.054 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000332380116 529880422 /nfs/dbraw/zinc/88/04/22/529880422.db2.gz FUMNGHFKANKLPP-DVVUODLYSA-N 0 3 294.359 -1.009 20 0 CAADHN CNC(=O)NC1CN(C(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419945973 529882974 /nfs/dbraw/zinc/88/29/74/529882974.db2.gz ACNUGOZDULWNPI-SECBINFHSA-N 0 3 299.375 -1.384 20 0 CAADHN CNC(=O)NC1CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000332080476 529883495 /nfs/dbraw/zinc/88/34/95/529883495.db2.gz ZVUSPXAWVCQPLX-ZCFIWIBFSA-N 0 3 263.319 -1.441 20 0 CAADHN CNC(=O)NCC(=O)N1CCCN([C@H](C)CO)CC1 ZINC000347164068 529884405 /nfs/dbraw/zinc/88/44/05/529884405.db2.gz PCTKWNABVONJBV-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN CNC(=O)NCC(=O)N1CCCN([C@@H](C)CO)CC1 ZINC000347164066 529884561 /nfs/dbraw/zinc/88/45/61/529884561.db2.gz PCTKWNABVONJBV-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@](C)(O)CN(C)C ZINC000343545476 529886283 /nfs/dbraw/zinc/88/62/83/529886283.db2.gz IEPQYNYHSKCDMS-LLVKDONJSA-N 0 3 260.338 -1.266 20 0 CAADHN CN(CCC(=O)N1CCOCC1)CC(=O)N1CCNCC1 ZINC000430640271 529870567 /nfs/dbraw/zinc/87/05/67/529870567.db2.gz QTFBJHJBTFUSOI-UHFFFAOYSA-N 0 3 298.387 -1.401 20 0 CAADHN CN(CCC(=O)N1CCNCC1)CC(=O)N(C)C ZINC000053298620 529870684 /nfs/dbraw/zinc/87/06/84/529870684.db2.gz CBRJKNOIIREOKT-UHFFFAOYSA-N 0 3 256.350 -1.172 20 0 CAADHN CNC(=O)[C@@H](NCCNS(C)(=O)=O)C(C)C ZINC000183642456 529898429 /nfs/dbraw/zinc/89/84/29/529898429.db2.gz WQBJOXCLEMBYRB-QMMMGPOBSA-N 0 3 251.352 -1.104 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)/C=C\CN(C)C ZINC000491854715 529901855 /nfs/dbraw/zinc/90/18/55/529901855.db2.gz YPHXGGFMTGJRBY-XOIDGJRKSA-N 0 3 296.371 -1.043 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000211675753 529901975 /nfs/dbraw/zinc/90/19/75/529901975.db2.gz BTIWOCZEIWNRAW-ONGXEEELSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](N)C(C)C ZINC000494520588 529902091 /nfs/dbraw/zinc/90/20/91/529902091.db2.gz BTIWOCZEIWNRAW-GXSJLCMTSA-N 0 3 284.360 -1.177 20 0 CAADHN CN(CCN(C)C1CC1)CC(=O)N1CCNC(=O)C1 ZINC000186736051 529902683 /nfs/dbraw/zinc/90/26/83/529902683.db2.gz FYAAUXMGNVVFKL-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN CNC(=O)N[C@H]1CCN(C[C@@H](O)CN2CCOCC2)C1 ZINC000334048208 529890107 /nfs/dbraw/zinc/89/01/07/529890107.db2.gz PVSUBRFRHGVBEQ-RYUDHWBXSA-N 0 3 286.376 -1.317 20 0 CAADHN CN(CCCS(N)(=O)=O)CC(C)(CO)CO ZINC000179310876 529896077 /nfs/dbraw/zinc/89/60/77/529896077.db2.gz QZDOHQXLFUXHGU-UHFFFAOYSA-N 0 3 254.352 -1.412 20 0 CAADHN CN(CCCS(N)(=O)=O)CCN1CCOCC1 ZINC000172253071 529896158 /nfs/dbraw/zinc/89/61/58/529896158.db2.gz AKLFPVYFHWCYDO-UHFFFAOYSA-N 0 3 265.379 -1.071 20 0 CAADHN CN(CCO)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425374709 529918570 /nfs/dbraw/zinc/91/85/70/529918570.db2.gz QSKFMZAHAAYXJF-WDEREUQCSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000423566188 529904683 /nfs/dbraw/zinc/90/46/83/529904683.db2.gz JTYATMSGJGTLGN-UHFFFAOYSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(CCN)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000419245194 529905283 /nfs/dbraw/zinc/90/52/83/529905283.db2.gz LBPTVNSUZWQPSO-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)N1CCNCC1 ZINC000063054743 529907456 /nfs/dbraw/zinc/90/74/56/529907456.db2.gz BSKJATVKZWRVNR-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)N1CCNC(=O)C1 ZINC000459835434 529907629 /nfs/dbraw/zinc/90/76/29/529907629.db2.gz RSYFECPBNBPOKK-UHFFFAOYSA-N 0 3 282.344 -1.501 20 0 CAADHN CN(CCN1CCOCC1)Cc1cn(C)c(=O)n(C)c1=O ZINC000179276132 529911767 /nfs/dbraw/zinc/91/17/67/529911767.db2.gz INBXYESOASFMPK-UHFFFAOYSA-N 0 3 296.371 -1.152 20 0 CAADHN CNC(=O)[C@@]1(C)CCN(CCNS(C)(=O)=O)C1 ZINC000430249736 529912504 /nfs/dbraw/zinc/91/25/04/529912504.db2.gz JNNUFZDXUSNAIL-JTQLQIEISA-N 0 3 263.363 -1.006 20 0 CAADHN CNC(=O)[C@H](C)CN(C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000219030962 529912964 /nfs/dbraw/zinc/91/29/64/529912964.db2.gz GVGONSOZXZDDTG-KOLCDFICSA-N 0 3 286.376 -1.074 20 0 CAADHN CNC(=O)[C@H](C)CN(C)CCN1C(=O)CNC1=O ZINC000081527675 529913367 /nfs/dbraw/zinc/91/33/67/529913367.db2.gz PBVWJHDLNCLFDJ-MRVPVSSYSA-N 0 3 256.306 -1.148 20 0 CAADHN CNC(=O)[C@H](C)NC(=O)NCCN(C)CCOC ZINC000488656268 529914576 /nfs/dbraw/zinc/91/45/76/529914576.db2.gz NGAREXXUCKEDCO-VIFPVBQESA-N 0 3 260.338 -1.002 20 0 CAADHN COCCOCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000576425456 335202219 /nfs/dbraw/zinc/20/22/19/335202219.db2.gz IGAOEYOUTDQNSG-SNVBAGLBSA-N 0 3 275.349 -1.168 20 0 CAADHN CN(CCn1cncn1)CC(=O)N1CCNCC1 ZINC000261553413 529940746 /nfs/dbraw/zinc/94/07/46/529940746.db2.gz AHTSUAICKFWJDT-UHFFFAOYSA-N 0 3 252.322 -1.358 20 0 CAADHN CN(C[C@@H](O)CNC[C@@H](O)C(N)=O)C(=O)OC(C)(C)C ZINC000496605570 529942287 /nfs/dbraw/zinc/94/22/87/529942287.db2.gz KUBXMYOMZGXEOJ-DTWKUNHWSA-N 0 3 291.348 -1.350 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)CC(C)(CO)CO ZINC000120592326 529942320 /nfs/dbraw/zinc/94/23/20/529942320.db2.gz JCFNPVKKRUTYFB-GFCCVEGCSA-N 0 3 276.377 -1.398 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](N)C(C)C ZINC000494520590 529923370 /nfs/dbraw/zinc/92/33/70/529923370.db2.gz BTIWOCZEIWNRAW-MWLCHTKSSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000211675671 529923373 /nfs/dbraw/zinc/92/33/73/529923373.db2.gz BTIWOCZEIWNRAW-KOLCDFICSA-N 0 3 284.360 -1.177 20 0 CAADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CCNC(=O)C1 ZINC000459836575 529948059 /nfs/dbraw/zinc/94/80/59/529948059.db2.gz UTQNFRKCNARQTF-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)C[C@@]1(C)C[NH3+] ZINC000573606045 334951273 /nfs/dbraw/zinc/95/12/73/334951273.db2.gz HMZIHHJCBURHQL-PRHODGIISA-N 0 3 268.317 -1.019 20 0 CAADHN CNCC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000262622823 529956371 /nfs/dbraw/zinc/95/63/71/529956371.db2.gz HHMGHOQRMUQOEW-SNVBAGLBSA-N 0 3 293.389 -1.190 20 0 CAADHN CNCC(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000430842196 529956467 /nfs/dbraw/zinc/95/64/67/529956467.db2.gz ZCZJLNWGHYQUKP-UHFFFAOYSA-N 0 3 272.349 -1.887 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCOC1 ZINC000672281264 545593268 /nfs/dbraw/zinc/59/32/68/545593268.db2.gz ZBOUDSYIVBPNRN-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@H](O)CN(CCCS(N)(=O)=O)[C@@H](C)CO ZINC000190831663 290081625 /nfs/dbraw/zinc/08/16/25/290081625.db2.gz POVKHPVCZBGBBF-IUCAKERBSA-N 0 3 254.352 -1.271 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCNCC1 ZINC000423731341 529965976 /nfs/dbraw/zinc/96/59/76/529965976.db2.gz XTRRLUKBLSEHRP-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CNCCN(C)S(=O)(=O)N(C)CCC(=O)OC ZINC000088772873 529973519 /nfs/dbraw/zinc/97/35/19/529973519.db2.gz PHEYTNNXAVVWRT-UHFFFAOYSA-N 0 3 267.351 -1.123 20 0 CAADHN CNCCNS(=O)(=O)N(CCOC)CCOC ZINC000262778051 529978498 /nfs/dbraw/zinc/97/84/98/529978498.db2.gz YECIWEUXDCAWGW-UHFFFAOYSA-N 0 3 269.367 -1.365 20 0 CAADHN CNCCNS(=O)(=O)N(C)CCC(=O)OC ZINC000262742578 529978529 /nfs/dbraw/zinc/97/85/29/529978529.db2.gz JTZRYBNMJMNFRX-UHFFFAOYSA-N 0 3 253.324 -1.465 20 0 CAADHN CNCCNS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000262225514 529978670 /nfs/dbraw/zinc/97/86/70/529978670.db2.gz GCIUTKOSHZFYHV-UHFFFAOYSA-N 0 3 293.370 -1.017 20 0 CAADHN C[C@H](O)CN1CCN(C(=O)CNC(=O)CN)C[C@H]1C ZINC000347671991 290091615 /nfs/dbraw/zinc/09/16/15/290091615.db2.gz BEMALLDSBLYXTJ-ZJUUUORDSA-N 0 3 272.349 -2.025 20 0 CAADHN CNS(=O)(=O)CCCN1[C@@H](CO)CC[C@H]1CO ZINC000347324051 530014769 /nfs/dbraw/zinc/01/47/69/530014769.db2.gz XVIDBOYOXWTAIQ-AOOOYVTPSA-N 0 3 266.363 -1.257 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@H](C)N(C)C1CC1 ZINC000331774066 530022325 /nfs/dbraw/zinc/02/23/25/530022325.db2.gz QVISOYHWBCHUPS-QMMMGPOBSA-N 0 3 278.378 -1.361 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000331774065 530022390 /nfs/dbraw/zinc/02/23/90/530022390.db2.gz QVISOYHWBCHUPS-MRVPVSSYSA-N 0 3 278.378 -1.361 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000450798186 530022498 /nfs/dbraw/zinc/02/24/98/530022498.db2.gz RSKOJKOSDNWVIF-RKDXNWHRSA-N 0 3 278.378 -1.361 20 0 CAADHN CNS(=O)(=O)CCNC(=O)NCCN(C)C ZINC000188187432 530016626 /nfs/dbraw/zinc/01/66/26/530016626.db2.gz PFNYDQGRFKNJMA-UHFFFAOYSA-N 0 3 252.340 -1.604 20 0 CAADHN CNS(=O)(=O)CCN[C@H]1CCN(CCOC)C1 ZINC000336894073 530018617 /nfs/dbraw/zinc/01/86/17/530018617.db2.gz LMDINFDLRUCAKP-JTQLQIEISA-N 0 3 265.379 -1.154 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CNCCOC ZINC000430428971 530019011 /nfs/dbraw/zinc/01/90/11/530019011.db2.gz IHPSVYYGFCCXJS-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN1CCC(=O)NC(N)=O ZINC000494716064 530019519 /nfs/dbraw/zinc/01/95/19/530019519.db2.gz BVDMMNCWROKUHV-QMMMGPOBSA-N 0 3 292.361 -1.415 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](CN)OC ZINC000353002270 530019959 /nfs/dbraw/zinc/01/99/59/530019959.db2.gz OXJFOPAPHXYKJU-BDAKNGLRSA-N 0 3 279.362 -1.500 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN1CCC(=O)NC(N)=O ZINC000494716063 530020135 /nfs/dbraw/zinc/02/01/35/530020135.db2.gz BVDMMNCWROKUHV-MRVPVSSYSA-N 0 3 292.361 -1.415 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CCN(C)C1CC1 ZINC000331736682 530021519 /nfs/dbraw/zinc/02/15/19/530021519.db2.gz BOMCDQPKXSQSIF-UHFFFAOYSA-N 0 3 278.378 -1.407 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CCCN1C ZINC000422038329 530021583 /nfs/dbraw/zinc/02/15/83/530021583.db2.gz QHCWQYREPCLPLR-VIFPVBQESA-N 0 3 278.378 -1.407 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)C[C@H]1CCCN1C ZINC000422038305 530021600 /nfs/dbraw/zinc/02/16/00/530021600.db2.gz QHCWQYREPCLPLR-SECBINFHSA-N 0 3 278.378 -1.407 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)NCCN2CCCC2)C1=O ZINC000354953434 530039898 /nfs/dbraw/zinc/03/98/98/530039898.db2.gz LYQOQQDXEQQNSZ-UHFFFAOYSA-N 0 3 282.300 -1.381 20 0 CAADHN CN1CCCN(C(=O)CN2CCNCC2=O)CC1 ZINC000125301701 530053069 /nfs/dbraw/zinc/05/30/69/530053069.db2.gz FQQGMOXISWNEMV-UHFFFAOYSA-N 0 3 254.334 -1.418 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(CC(N)=O)CC1 ZINC000104869908 530061927 /nfs/dbraw/zinc/06/19/27/530061927.db2.gz BTHBKFCNSZDVKP-JTQLQIEISA-N 0 3 254.334 -1.290 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000114074988 530062095 /nfs/dbraw/zinc/06/20/95/530062095.db2.gz OPRMMICALGUCFY-VIFPVBQESA-N 0 3 276.362 -1.572 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)COC2CNC2)CC1 ZINC000430755988 530067159 /nfs/dbraw/zinc/06/71/59/530067159.db2.gz KJJHSSRRXIQUTM-UHFFFAOYSA-N 0 3 284.360 -1.745 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)C[C@@H]2COCCN2)CC1 ZINC000262467664 530067163 /nfs/dbraw/zinc/06/71/63/530067163.db2.gz XYWKSNIRASPPMB-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CCN(C(=O)CCN2CCOC2=O)[C@@H](CN)C1 ZINC000496229447 530067183 /nfs/dbraw/zinc/06/71/83/530067183.db2.gz SRWOUXUZQSUAIX-JTQLQIEISA-N 0 3 270.333 -1.070 20 0 CAADHN CN1CCN(C(=O)CN[C@H](CO)[C@@H]2CCCO2)CC1 ZINC000447902415 530068327 /nfs/dbraw/zinc/06/83/27/530068327.db2.gz FCQNXFLWRPQWHU-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN CNS(=O)(=O)CCCN1[C@@H](CO)CC[C@@H]1CO ZINC000347324052 290747564 /nfs/dbraw/zinc/74/75/64/290747564.db2.gz XVIDBOYOXWTAIQ-NXEZZACHSA-N 0 3 266.363 -1.257 20 0 CAADHN CN1CCN(C(=O)[C@@H](O)C2CCOCC2)[C@@H](CN)C1 ZINC000573724182 334961175 /nfs/dbraw/zinc/96/11/75/334961175.db2.gz VLWKAHIBLZOOIL-RYUDHWBXSA-N 0 3 271.361 -1.125 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](CN)OC ZINC000353002271 290761295 /nfs/dbraw/zinc/76/12/95/290761295.db2.gz OXJFOPAPHXYKJU-DTWKUNHWSA-N 0 3 279.362 -1.500 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](CN)OC ZINC000353002273 290766834 /nfs/dbraw/zinc/76/68/34/290766834.db2.gz OXJFOPAPHXYKJU-RKDXNWHRSA-N 0 3 279.362 -1.500 20 0 CAADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191986518 781926395 /nfs/dbraw/zinc/92/63/95/781926395.db2.gz AFZKGTPPIIDGHU-NXEZZACHSA-N 0 3 273.333 -1.550 20 0 CAADHN CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1)C1CC1 ZINC001191987125 781926496 /nfs/dbraw/zinc/92/64/96/781926496.db2.gz GFOGNJHYAZWWLN-IJLUTSLNSA-N 0 3 299.371 -1.162 20 0 CAADHN CC(C)NS(=O)(=O)NCCNCCC(N)=O ZINC000517926309 260318389 /nfs/dbraw/zinc/31/83/89/260318389.db2.gz NTQOETBZBHUAQQ-UHFFFAOYSA-N 0 3 252.340 -1.716 20 0 CAADHN CN1CC[C@@H]2OCCN(C(=O)[C@H]3CNCCO3)[C@@H]2C1 ZINC000424186719 290166700 /nfs/dbraw/zinc/16/67/00/290166700.db2.gz TVUCXPWGTADKGH-GRYCIOLGSA-N 0 3 269.345 -1.094 20 0 CAADHN C[C@H](O)CN(C)C(=O)C(=O)NCCOCCN(C)C ZINC000673351792 545593927 /nfs/dbraw/zinc/59/39/27/545593927.db2.gz GDZWTXXBTICDFS-JTQLQIEISA-N 0 3 275.349 -1.480 20 0 CAADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000672693390 545593619 /nfs/dbraw/zinc/59/36/19/545593619.db2.gz VQTOBEUPWVDCLT-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CC1(C)[C@H](O)C[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC000576475856 335209110 /nfs/dbraw/zinc/20/91/10/335209110.db2.gz NXWNBSNRBZLAPB-RKDXNWHRSA-N 0 3 255.318 -1.306 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)Cn1ncn(C)c1=O ZINC000673523241 545595329 /nfs/dbraw/zinc/59/53/29/545595329.db2.gz JPLQUKZTIBFZRD-QMMMGPOBSA-N 0 3 257.294 -2.380 20 0 CAADHN O=C(CN1CCOCC1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000673516489 545595020 /nfs/dbraw/zinc/59/50/20/545595020.db2.gz HWMDIDPPZYRITB-OLZOCXBDSA-N 0 3 283.372 -1.014 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CNC(=O)c1cccnc1 ZINC000673519938 545595055 /nfs/dbraw/zinc/59/50/55/545595055.db2.gz AEQZORQMUMXLJP-NSHDSACASA-N 0 3 280.328 -1.150 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN(C)S(C)(=O)=O ZINC000673520940 545595173 /nfs/dbraw/zinc/59/51/73/545595173.db2.gz IZFLGAHPOLRNMN-MRVPVSSYSA-N 0 3 267.351 -2.084 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1CCCS1(=O)=O ZINC000673522251 545595246 /nfs/dbraw/zinc/59/52/46/545595246.db2.gz UNKLRMASEGZSQO-SECBINFHSA-N 0 3 279.362 -1.939 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)Cn1nc2ccccn2c1=O ZINC000673520525 545595255 /nfs/dbraw/zinc/59/52/55/545595255.db2.gz JHELCRMUWJLVDA-SNVBAGLBSA-N 0 3 293.327 -1.465 20 0 CAADHN C[C@H](C(=O)N[C@@H](CO)CN(C)C)N1CCN(C)CC1 ZINC000673520949 545595280 /nfs/dbraw/zinc/59/52/80/545595280.db2.gz MIJPWNYOUKXUCV-VXGBXAGGSA-N 0 3 272.393 -1.339 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)Cn1nc2ccccn2c1=O ZINC000673520522 545595448 /nfs/dbraw/zinc/59/54/48/545595448.db2.gz JHELCRMUWJLVDA-JTQLQIEISA-N 0 3 293.327 -1.465 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCN1C(=O)CCC1=O ZINC000673521624 545595408 /nfs/dbraw/zinc/59/54/08/545595408.db2.gz DBRUUQGERHOPHB-VIFPVBQESA-N 0 3 271.317 -1.436 20 0 CAADHN CC(C(=O)N[C@@H](CO)CN1CCCC1)S(C)(=O)=O ZINC000673533805 545595733 /nfs/dbraw/zinc/59/57/33/545595733.db2.gz VQNRHYJNJUXGAT-VHSXEESVSA-N 0 3 278.374 -1.008 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)Cn1ncn(C)c1=O ZINC000673523227 545595669 /nfs/dbraw/zinc/59/56/69/545595669.db2.gz JPLQUKZTIBFZRD-MRVPVSSYSA-N 0 3 257.294 -2.380 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000673531858 545595685 /nfs/dbraw/zinc/59/56/85/545595685.db2.gz OOYKGBBLMBJGRP-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1O ZINC001191978499 781929454 /nfs/dbraw/zinc/92/94/54/781929454.db2.gz LBFACURCFKIFMJ-IJLUTSLNSA-N 0 3 299.371 -1.160 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H]2COCCO2)CC1=O ZINC000673644135 545596224 /nfs/dbraw/zinc/59/62/24/545596224.db2.gz SXICDEUZBCIQPW-VXGBXAGGSA-N 0 3 299.371 -1.072 20 0 CAADHN C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191978638 781929972 /nfs/dbraw/zinc/92/99/72/781929972.db2.gz MSQGBFNFWWKAMB-IVZWLZJFSA-N 0 3 273.333 -1.816 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@H]2COCCO2)CC1=O ZINC000673644131 545596716 /nfs/dbraw/zinc/59/67/16/545596716.db2.gz SXICDEUZBCIQPW-NEPJUHHUSA-N 0 3 299.371 -1.072 20 0 CAADHN CN1CCN(C(=O)CN[C@@H](CO)[C@@H]2CCCO2)CC1 ZINC000447902417 282894675 /nfs/dbraw/zinc/89/46/75/282894675.db2.gz FCQNXFLWRPQWHU-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191977423 781930333 /nfs/dbraw/zinc/93/03/33/781930333.db2.gz BTZZBMXEUURXRE-RKDXNWHRSA-N 0 3 259.306 -1.940 20 0 CAADHN COC1CCN(CCNC(=O)Cn2cnnn2)CC1 ZINC000674310255 545597858 /nfs/dbraw/zinc/59/78/58/545597858.db2.gz ZDARNFUKFXEYOU-UHFFFAOYSA-N 0 3 268.321 -1.100 20 0 CAADHN CNS(=O)(=O)CC(=O)Nc1cnn(CCN(C)C)c1 ZINC000674368546 545597953 /nfs/dbraw/zinc/59/79/53/545597953.db2.gz GVZLNEJUEKPAAG-UHFFFAOYSA-N 0 3 289.361 -1.068 20 0 CAADHN C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191979103 781930748 /nfs/dbraw/zinc/93/07/48/781930748.db2.gz POZIHDSKJUODKJ-DJLDLDEBSA-N 0 3 261.297 -1.229 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@H]1O ZINC001191978068 781930831 /nfs/dbraw/zinc/93/08/31/781930831.db2.gz IWRYPWDPALYZAU-QJPTWQEYSA-N 0 3 299.371 -1.018 20 0 CAADHN O[C@H](COC[C@H]1CCCO1)CN1C[C@H](O)C[C@H](O)C1 ZINC000674464694 545599060 /nfs/dbraw/zinc/59/90/60/545599060.db2.gz JPKUKIAKRBEHRI-QNWHQSFQSA-N 0 3 275.345 -1.030 20 0 CAADHN COCCN(C)[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192037950 781932457 /nfs/dbraw/zinc/93/24/57/781932457.db2.gz MIGPFFBXLVMZNT-NXEZZACHSA-N 0 3 270.333 -1.153 20 0 CAADHN CN(C[C@@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192093049 781933322 /nfs/dbraw/zinc/93/33/22/781933322.db2.gz GBXCFARFWCCCBW-GHMZBOCLSA-N 0 3 295.343 -1.738 20 0 CAADHN COC(=O)CC[C@H](N)C(=O)N1CCNC(=O)[C@@H]1C ZINC000343415879 291049016 /nfs/dbraw/zinc/04/90/16/291049016.db2.gz LUUOLEFAQHSJBC-YUMQZZPRSA-N 0 3 257.290 -1.386 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072075 781933778 /nfs/dbraw/zinc/93/37/78/781933778.db2.gz AAJNRKCGLXINJF-VIFPVBQESA-N 0 3 259.306 -1.987 20 0 CAADHN COC[C@H](O)CN(C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072567 781934071 /nfs/dbraw/zinc/93/40/71/781934071.db2.gz IEJPQMHBGYTNQA-RKDXNWHRSA-N 0 3 259.306 -1.988 20 0 CAADHN CN(C[C@@H](O)Cn1cccn1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192093052 781934431 /nfs/dbraw/zinc/93/44/31/781934431.db2.gz GBXCFARFWCCCBW-WDEREUQCSA-N 0 3 295.343 -1.738 20 0 CAADHN COC(=O)CSCCNC(=O)[C@H](CN)OC ZINC000353173477 291100520 /nfs/dbraw/zinc/10/05/20/291100520.db2.gz DBVLYQYBKASZMF-ZETCQYMHSA-N 0 3 250.320 -1.018 20 0 CAADHN CC(C(=O)NC[C@H]1CN2CCN1CC2)S(C)(=O)=O ZINC000676587595 545603505 /nfs/dbraw/zinc/60/35/05/545603505.db2.gz RGCXSXKRQCWZCG-UWVGGRQHSA-N 0 3 275.374 -1.465 20 0 CAADHN COCCOCCN(C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072346 781934861 /nfs/dbraw/zinc/93/48/61/781934861.db2.gz DOYIHUVGNBWLGB-JTQLQIEISA-N 0 3 273.333 -1.333 20 0 CAADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC000331195539 290580165 /nfs/dbraw/zinc/58/01/65/290580165.db2.gz SBFCVVYXPSXJKL-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H]1CCNC(=O)[C@@H]1NCCN1C(=O)CNC1=O ZINC000193568965 290598581 /nfs/dbraw/zinc/59/85/81/290598581.db2.gz RNMCNBOHLBZEFZ-IONNQARKSA-N 0 3 254.290 -1.348 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001192061493 781935571 /nfs/dbraw/zinc/93/55/71/781935571.db2.gz UKNWKUOQYVPBKF-NSHDSACASA-N 0 3 299.371 -1.207 20 0 CAADHN CN(C[C@H](O)Cn1cccn1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192093050 781935653 /nfs/dbraw/zinc/93/56/53/781935653.db2.gz GBXCFARFWCCCBW-MNOVXSKESA-N 0 3 295.343 -1.738 20 0 CAADHN CNC(=O)N[C@H]1CCN(C[C@H](O)CN2CCOCC2)C1 ZINC000334048207 283375984 /nfs/dbraw/zinc/37/59/84/283375984.db2.gz PVSUBRFRHGVBEQ-NWDGAFQWSA-N 0 3 286.376 -1.317 20 0 CAADHN CC(=O)N1CCC[C@](O)(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000574053204 334988475 /nfs/dbraw/zinc/98/84/75/334988475.db2.gz MWOKFPOGUZXLGU-SGMGOOAPSA-N 0 3 299.371 -1.507 20 0 CAADHN COC(=O)N1CC(NC[C@H](O)CN2CCOCC2)C1 ZINC000496173349 291181087 /nfs/dbraw/zinc/18/10/87/291181087.db2.gz OUPJENJSHGDBLN-NSHDSACASA-N 0 3 273.333 -1.280 20 0 CAADHN COC(=O)N[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000495756488 291203028 /nfs/dbraw/zinc/20/30/28/291203028.db2.gz UQOJOKWTZFEJQE-CIUDSAMLSA-N 0 3 259.306 -1.136 20 0 CAADHN C[C@@H](N)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000186665773 296014271 /nfs/dbraw/zinc/01/42/71/296014271.db2.gz QPZNUWWBYPPFNI-NXEZZACHSA-N 0 3 254.334 -1.244 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCN(C[C@H]2CNC(=O)C2)C1 ZINC001192391266 781941852 /nfs/dbraw/zinc/94/18/52/781941852.db2.gz RFQKGVVLTDZHQS-RKDXNWHRSA-N 0 3 261.347 -1.254 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001192377970 781942467 /nfs/dbraw/zinc/94/24/67/781942467.db2.gz QBRNVKDSMRNGCT-TUAOUCFPSA-N 0 3 299.371 -1.351 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001192438116 781944163 /nfs/dbraw/zinc/94/41/63/781944163.db2.gz PJWIXIOTYVLAFU-NXEZZACHSA-N 0 3 255.318 -1.306 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001192444105 781944560 /nfs/dbraw/zinc/94/45/60/781944560.db2.gz GTRHZHLVVPFBTR-CHWSQXEVSA-N 0 3 299.371 -1.338 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192444949 781945253 /nfs/dbraw/zinc/94/52/53/781945253.db2.gz PILDNDNEBKESBT-IVZWLZJFSA-N 0 3 288.348 -1.759 20 0 CAADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1 ZINC001192462522 781946667 /nfs/dbraw/zinc/94/66/67/781946667.db2.gz GSDGXUUTRXCSBP-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1O ZINC001192463722 781947685 /nfs/dbraw/zinc/94/76/85/781947685.db2.gz YGFYFIVFLDRHOL-GMTAPVOTSA-N 0 3 287.360 -1.555 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N(C)CCN(C)C ZINC000176379875 299332012 /nfs/dbraw/zinc/33/20/12/299332012.db2.gz NUHOKFAETMHNOD-QMMMGPOBSA-N 0 3 251.352 -1.056 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001192563546 781949701 /nfs/dbraw/zinc/94/97/01/781949701.db2.gz KYNKAOSRRSALSF-OPRDCNLKSA-N 0 3 287.316 -1.707 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001192563545 781950015 /nfs/dbraw/zinc/95/00/15/781950015.db2.gz KYNKAOSRRSALSF-KXUCPTDWSA-N 0 3 287.316 -1.707 20 0 CAADHN COCCN(C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192560882 781950217 /nfs/dbraw/zinc/95/02/17/781950217.db2.gz UOGMEJGOZVONBP-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@@H](NC(=O)CN1CCN[C@H](C)C1)C(=O)N(C)C ZINC000430919967 296048499 /nfs/dbraw/zinc/04/84/99/296048499.db2.gz SMNNSWHBIKLDGY-NXEZZACHSA-N 0 3 256.350 -1.127 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001192702673 781953505 /nfs/dbraw/zinc/95/35/05/781953505.db2.gz UEYAWOMZFFGIBE-GHMZBOCLSA-N 0 3 284.360 -1.123 20 0 CAADHN C[C@@H](NC(=O)C[C@H]1CNCCO1)C(=O)N1CCOCC1 ZINC000135269460 296052036 /nfs/dbraw/zinc/05/20/36/296052036.db2.gz WJGJCGPWWGFQAT-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366530841 299339084 /nfs/dbraw/zinc/33/90/84/299339084.db2.gz RCYRQDXINHELJQ-FXQIFTODSA-N 0 3 267.326 -1.260 20 0 CAADHN CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001192751627 781956526 /nfs/dbraw/zinc/95/65/26/781956526.db2.gz DJXRVMCWAZETJD-GHMZBOCLSA-N 0 3 297.359 -1.147 20 0 CAADHN COCCN1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000677882039 545605886 /nfs/dbraw/zinc/60/58/86/545605886.db2.gz ATWUMDHFYCITHC-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN O=C(NCCN1C(=O)CNC1=O)[C@@H]1CN2CCN1CCC2 ZINC000677890168 545605576 /nfs/dbraw/zinc/60/55/76/545605576.db2.gz GJHQXNAITAZUJY-JTQLQIEISA-N 0 3 295.343 -1.956 20 0 CAADHN COCCNCC(=O)N(C)CC(=O)N1CCNCC1 ZINC000574153306 334996029 /nfs/dbraw/zinc/99/60/29/334996029.db2.gz IKRYIPFCKTVHJF-UHFFFAOYSA-N 0 3 272.349 -1.887 20 0 CAADHN C[C@@H](CC(N)=O)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000677895296 545606635 /nfs/dbraw/zinc/60/66/35/545606635.db2.gz CVQOBGZGJDFOIP-UWVGGRQHSA-N 0 3 254.334 -1.244 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)[C@@H]1COC[C@H]1O ZINC000574337765 335011841 /nfs/dbraw/zinc/01/18/41/335011841.db2.gz WULOQNMUAJOYBY-IJLUTSLNSA-N 0 3 262.350 -1.383 20 0 CAADHN C[C@@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000336663495 296182334 /nfs/dbraw/zinc/18/23/34/296182334.db2.gz SIEIXSLSZHUSQI-BDAKNGLRSA-N 0 3 251.352 -1.128 20 0 CAADHN CN(C)C1(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000616341428 372761313 /nfs/dbraw/zinc/76/13/13/372761313.db2.gz OFKKSFRTOIHTOX-ZETCQYMHSA-N 0 3 254.290 -1.205 20 0 CAADHN CN(C)C1(CNC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC000616341197 372762261 /nfs/dbraw/zinc/76/22/61/372762261.db2.gz MCMFKPAOPRZYOS-UHFFFAOYSA-N 0 3 278.378 -1.407 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CC(=O)N3CCNC(=O)C3)CCN2C1=O ZINC000583946288 372763915 /nfs/dbraw/zinc/76/39/15/372763915.db2.gz WFDWPIVEYRKDMW-NXEZZACHSA-N 0 3 295.343 -2.811 20 0 CAADHN C[C@H](C(=O)NC1CC1)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000584005438 372792354 /nfs/dbraw/zinc/79/23/54/372792354.db2.gz UEDGJLURTICJOI-IEBDPFPHSA-N 0 3 266.345 -1.103 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N(C)C[C@@H]1CCCN1C ZINC000616385851 372772895 /nfs/dbraw/zinc/77/28/95/372772895.db2.gz IRMOAWAAFAHZQE-JTQLQIEISA-N 0 3 292.405 -1.065 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCNC(=O)C2)[C@@H](CN)C1 ZINC000643577445 372776576 /nfs/dbraw/zinc/77/65/76/372776576.db2.gz HPQFNNBPLGAEIQ-VIFPVBQESA-N 0 3 283.332 -2.954 20 0 CAADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C(=O)C2)[C@@H]1CN ZINC000643593285 372779785 /nfs/dbraw/zinc/77/97/85/372779785.db2.gz YAYFNUNMRKZVLI-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C(=O)C2)[C@H]1CN ZINC000643593287 372780143 /nfs/dbraw/zinc/78/01/43/372780143.db2.gz YAYFNUNMRKZVLI-QWRGUYRKSA-N 0 3 296.371 -1.127 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2CCN(C3CCC3)C2=O)n1 ZINC000624783962 372783888 /nfs/dbraw/zinc/78/38/88/372783888.db2.gz LLQXYDMQEBISNO-SSDOTTSWSA-N 0 3 263.305 -1.316 20 0 CAADHN COC[C@@]1(C)CN(c2nc(N)nc(N)n2)CCO1 ZINC000624778767 372785130 /nfs/dbraw/zinc/78/51/30/372785130.db2.gz YSWVAYSUJGAQDA-SNVBAGLBSA-N 0 3 254.294 -1.062 20 0 CAADHN CN1CCC[C@H]1CNC(=O)NCCNS(C)(=O)=O ZINC000139512952 372785600 /nfs/dbraw/zinc/78/56/00/372785600.db2.gz ALGVPXTXUJZZGC-VIFPVBQESA-N 0 3 278.378 -1.071 20 0 CAADHN COC[C@@H](CNC[C@@H](O)CN1CCOCC1)OC ZINC000234687632 372797026 /nfs/dbraw/zinc/79/70/26/372797026.db2.gz SUZVZEYZXCVKQL-VXGBXAGGSA-N 0 3 262.350 -1.070 20 0 CAADHN COC[C@@H](CNC[C@H](O)CN1CCOCC1)OC ZINC000234698273 372798240 /nfs/dbraw/zinc/79/82/40/372798240.db2.gz SUZVZEYZXCVKQL-NWDGAFQWSA-N 0 3 262.350 -1.070 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCOC[C@H](O)C1 ZINC000399868304 372799589 /nfs/dbraw/zinc/79/95/89/372799589.db2.gz BBGOLCFXJSJJBK-VXGBXAGGSA-N 0 3 262.350 -1.381 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCOC[C@@H](O)C1 ZINC000399868300 372800750 /nfs/dbraw/zinc/80/07/50/372800750.db2.gz BBGOLCFXJSJJBK-NEPJUHHUSA-N 0 3 262.350 -1.381 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCOC[C@H](O)C1 ZINC000399868302 372800871 /nfs/dbraw/zinc/80/08/71/372800871.db2.gz BBGOLCFXJSJJBK-NWDGAFQWSA-N 0 3 262.350 -1.381 20 0 CAADHN O[C@@H](CNC[C@H](O)C(F)F)CN1CCOCC1 ZINC000236537878 372805546 /nfs/dbraw/zinc/80/55/46/372805546.db2.gz KTJCYWYZOBWUIB-IUCAKERBSA-N 0 3 254.277 -1.105 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000126049244 372806967 /nfs/dbraw/zinc/80/69/67/372806967.db2.gz CGFDHLOEECDFNI-KOLCDFICSA-N 0 3 284.360 -1.190 20 0 CAADHN C[C@H](C(=O)N1CCN(C)C[C@@H]1CN)S(C)(=O)=O ZINC000135244406 372807008 /nfs/dbraw/zinc/80/70/08/372807008.db2.gz CFDSSNJOMDUHIX-BDAKNGLRSA-N 0 3 263.363 -1.479 20 0 CAADHN CN1CCN(S(=O)(=O)N2CCCC2)[C@H](CN)C1 ZINC000122674030 372807338 /nfs/dbraw/zinc/80/73/38/372807338.db2.gz CLOVQULDGXZTFX-SNVBAGLBSA-N 0 3 262.379 -1.098 20 0 CAADHN CNC(=O)CN1CCN(C(=O)C2(N)CCC2)CC1 ZINC000147847830 372807828 /nfs/dbraw/zinc/80/78/28/372807828.db2.gz WZZJECNZLZMGDY-UHFFFAOYSA-N 0 3 254.334 -1.242 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H](CN)C1 ZINC000123160883 372808085 /nfs/dbraw/zinc/80/80/85/372808085.db2.gz JSYRDMCFIZYNLL-NXEZZACHSA-N 0 3 254.334 -1.386 20 0 CAADHN CCOCCS(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000122683963 372809246 /nfs/dbraw/zinc/80/92/46/372809246.db2.gz ORBUIACUXOQYKF-JTQLQIEISA-N 0 3 265.379 -1.073 20 0 CAADHN Cc1nc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)cn1C ZINC000122672606 372809397 /nfs/dbraw/zinc/80/93/97/372809397.db2.gz WQMYZHLZJRHVCC-JTQLQIEISA-N 0 3 287.389 -1.008 20 0 CAADHN O=C(CNC1CC1)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000238157613 372812765 /nfs/dbraw/zinc/81/27/65/372812765.db2.gz BXBPQURQENMOTH-UHFFFAOYSA-N 0 3 294.355 -1.312 20 0 CAADHN CN1CCN(C[C@H](O)CNCC(F)(F)CO)CC1 ZINC000584053613 372813417 /nfs/dbraw/zinc/81/34/17/372813417.db2.gz RNXHDJOURJKCOD-SNVBAGLBSA-N 0 3 267.320 -1.188 20 0 CAADHN O[C@@H](CNCCN1CCCOCC1)CN1CCOCC1 ZINC000584049200 372813778 /nfs/dbraw/zinc/81/37/78/372813778.db2.gz HQWPVZWOSRAGGA-AWEZNQCLSA-N 0 3 287.404 -1.009 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)CNC2CC2)CC1 ZINC000037497011 372816150 /nfs/dbraw/zinc/81/61/50/372816150.db2.gz YAZOUAKAWCIUMG-UHFFFAOYSA-N 0 3 261.347 -1.158 20 0 CAADHN Cc1nnc(CC(=O)N2CCN(CCN(C)C)C(=O)C2)[nH]1 ZINC000616519588 372830018 /nfs/dbraw/zinc/83/00/18/372830018.db2.gz REFRKZZABNREGY-UHFFFAOYSA-N 0 3 294.359 -1.112 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H](O)C2CC2)CC1=O ZINC000616519006 372830388 /nfs/dbraw/zinc/83/03/88/372830388.db2.gz CIHYUUWMNIODKB-LBPRGKRZSA-N 0 3 269.345 -1.010 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000643647071 372830819 /nfs/dbraw/zinc/83/08/19/372830819.db2.gz FVTQDZUNZFHMOJ-WDEREUQCSA-N 0 3 294.355 -1.373 20 0 CAADHN O=c1[nH]c2ccc(S(=O)(=O)NC3CNC3)cc2c(=O)[nH]1 ZINC000123831320 372832229 /nfs/dbraw/zinc/83/22/29/372832229.db2.gz RLLACGYKHUQZRC-UHFFFAOYSA-N 0 3 296.308 -1.534 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCCNCC2)CC1=O ZINC000084206954 372833847 /nfs/dbraw/zinc/83/38/47/372833847.db2.gz XITWXKRIVONUAE-UHFFFAOYSA-N 0 3 268.317 -1.891 20 0 CAADHN CNC(=O)[C@@H]1CN(S(=O)(=O)CCCN(C)C)CCO1 ZINC000632196705 372833959 /nfs/dbraw/zinc/83/39/59/372833959.db2.gz AUPJIKNAMIDLON-JTQLQIEISA-N 0 3 293.389 -1.285 20 0 CAADHN CN(CCC(=O)N1CCNCC1)CC(=O)N1CCNCC1 ZINC000568090042 372834108 /nfs/dbraw/zinc/83/41/08/372834108.db2.gz AVLXYGRTESWVJT-UHFFFAOYSA-N 0 3 297.403 -1.828 20 0 CAADHN C[C@H]1OCCN[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565550594 372836878 /nfs/dbraw/zinc/83/68/78/372836878.db2.gz SJZPWKCFJAWDIP-YTWAJWBKSA-N 0 3 282.344 -1.866 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN(CCO)C[C@H]1C ZINC000568181078 372838761 /nfs/dbraw/zinc/83/87/61/372838761.db2.gz JUZRRWPTCJCDKB-ZIAGYGMSSA-N 0 3 289.420 -1.076 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN(CCO)C[C@H]1C ZINC000568181076 372839859 /nfs/dbraw/zinc/83/98/59/372839859.db2.gz JUZRRWPTCJCDKB-KGLIPLIRSA-N 0 3 289.420 -1.076 20 0 CAADHN COCC[C@@H]1COCCN1c1nc(N)nc(N)n1 ZINC000624234785 372840835 /nfs/dbraw/zinc/84/08/35/372840835.db2.gz XKQGNKCTSNNXQN-SSDOTTSWSA-N 0 3 254.294 -1.062 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)CN2CCCC[C@H](N)C2=O)CCO1 ZINC000643671087 372841336 /nfs/dbraw/zinc/84/13/36/372841336.db2.gz UJWNRULGHLEPHW-VHSXEESVSA-N 0 3 298.343 -1.961 20 0 CAADHN COCC[C@H]1COCCN1c1nc(N)nc(N)n1 ZINC000624234786 372842399 /nfs/dbraw/zinc/84/23/99/372842399.db2.gz XKQGNKCTSNNXQN-ZETCQYMHSA-N 0 3 254.294 -1.062 20 0 CAADHN CN(c1nc(N)nc(N)n1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000624238697 372842426 /nfs/dbraw/zinc/84/24/26/372842426.db2.gz WUYSNHRMSSDDAE-LURJTMIESA-N 0 3 287.349 -1.833 20 0 CAADHN COC[C@@H](C)S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000124988509 372843155 /nfs/dbraw/zinc/84/31/55/372843155.db2.gz AWHRLDODLPHVCU-ZJUUUORDSA-N 0 3 265.379 -1.074 20 0 CAADHN COCCN(C)C[C@@H](O)CN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000310878593 372843817 /nfs/dbraw/zinc/84/38/17/372843817.db2.gz NFRPLTBJLDVLDV-BBBLOLIVSA-N 0 3 256.302 -1.070 20 0 CAADHN CN(C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1COC[C@H]1O ZINC000556831155 372844941 /nfs/dbraw/zinc/84/49/41/372844941.db2.gz YVOSTWOEOFJRMM-GMTAPVOTSA-N 0 3 278.374 -1.041 20 0 CAADHN CCN1C[C@@H](CNc2nc(N)nc(N)n2)CC1=O ZINC000624350776 372855575 /nfs/dbraw/zinc/85/55/75/372855575.db2.gz OCLJEYYFMPJOIV-ZCFIWIBFSA-N 0 3 251.294 -1.601 20 0 CAADHN Nc1nc(N)nc(N[C@H](CO)[C@H]2CCCOC2)n1 ZINC000624279633 372846443 /nfs/dbraw/zinc/84/64/43/372846443.db2.gz YFFKACFHGRWHIF-NKWVEPMBSA-N 0 3 254.294 -1.682 20 0 CAADHN COC[C@@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565668854 372847102 /nfs/dbraw/zinc/84/71/02/372847102.db2.gz DBQZKHTVWOKWTM-KXUCPTDWSA-N 0 3 298.343 -2.092 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2CSCC2=O)C[C@@H]1O ZINC000556976544 372847949 /nfs/dbraw/zinc/84/79/49/372847949.db2.gz AWGYCEXKULJHDX-IUCAKERBSA-N 0 3 273.358 -1.347 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1O ZINC000556972869 372847988 /nfs/dbraw/zinc/84/79/88/372847988.db2.gz CDUGXGZMCQRYQG-YUMQZZPRSA-N 0 3 270.289 -2.329 20 0 CAADHN O=C1CN(CCNC[C@@H](O)C(F)(F)F)CCN1 ZINC000569333729 372849195 /nfs/dbraw/zinc/84/91/95/372849195.db2.gz RUUUMRMXCSJUFL-SSDOTTSWSA-N 0 3 255.240 -1.069 20 0 CAADHN Nc1nc(N)nc(NCCS(=O)(=O)NC2CC2)n1 ZINC000623847215 372850356 /nfs/dbraw/zinc/85/03/56/372850356.db2.gz JYVKEHKDOBEUGY-UHFFFAOYSA-N 0 3 273.322 -2.388 20 0 CAADHN CN1CCN(C(=O)CN2CCCC[C@H](N)C2=O)CC1=O ZINC000643701293 372855791 /nfs/dbraw/zinc/85/57/91/372855791.db2.gz VZURXXIGNKNCGT-JTQLQIEISA-N 0 3 282.344 -1.373 20 0 CAADHN C[C@](O)(C[C@@H](O)CNCCN1CCNC(=O)C1)C1CC1 ZINC000634710793 372851600 /nfs/dbraw/zinc/85/16/00/372851600.db2.gz DZIQFVGKZNOQQC-OCCSQVGLSA-N 0 3 285.388 -1.080 20 0 CAADHN CCNC(=O)CN1CCCN(c2nc(N)nc(N)n2)CC1 ZINC000623849161 372852509 /nfs/dbraw/zinc/85/25/09/372852509.db2.gz XODPAUJEKONIEB-UHFFFAOYSA-N 0 3 294.363 -1.655 20 0 CAADHN C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)N(C)C ZINC000048162791 372853355 /nfs/dbraw/zinc/85/33/55/372853355.db2.gz SUGHIMWLPFCLBO-SECBINFHSA-N 0 3 268.317 -1.387 20 0 CAADHN Nc1nc(N)nc(NCC[C@]2(O)CCCOC2)n1 ZINC000624354572 372854410 /nfs/dbraw/zinc/85/44/10/372854410.db2.gz JVWPVNVZYVNOMV-SNVBAGLBSA-N 0 3 254.294 -1.538 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCNC1=O ZINC000616478318 372828065 /nfs/dbraw/zinc/82/80/65/372828065.db2.gz OXEUYLKMPIKPTI-VHSXEESVSA-N 0 3 282.344 -1.299 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCNC1=O ZINC000616478317 372828113 /nfs/dbraw/zinc/82/81/13/372828113.db2.gz OXEUYLKMPIKPTI-UWVGGRQHSA-N 0 3 282.344 -1.299 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC000616478199 372828153 /nfs/dbraw/zinc/82/81/53/372828153.db2.gz MSUROSLHKIXRIK-VHSXEESVSA-N 0 3 297.359 -1.412 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1cnnn1C ZINC000616478530 372828253 /nfs/dbraw/zinc/82/82/53/372828253.db2.gz VETPQHIGEIIKAG-JTQLQIEISA-N 0 3 294.359 -1.064 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCNC1=O ZINC000616478316 372828265 /nfs/dbraw/zinc/82/82/65/372828265.db2.gz OXEUYLKMPIKPTI-NXEZZACHSA-N 0 3 282.344 -1.299 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC(=O)N1 ZINC000616478585 372828388 /nfs/dbraw/zinc/82/83/88/372828388.db2.gz WMXPOJZPKFEYOM-IUCAKERBSA-N 0 3 268.317 -1.547 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC(=O)N1 ZINC000616478587 372828584 /nfs/dbraw/zinc/82/85/84/372828584.db2.gz WMXPOJZPKFEYOM-RKDXNWHRSA-N 0 3 268.317 -1.547 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@H]1CC(=O)N1 ZINC000616478388 372828635 /nfs/dbraw/zinc/82/86/35/372828635.db2.gz QXTGXRLWSJQYKS-VHSXEESVSA-N 0 3 282.344 -1.157 20 0 CAADHN C[C@@H](CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N(C)C ZINC000616489288 372828899 /nfs/dbraw/zinc/82/88/99/372828899.db2.gz UTCAZFNTOFOKCP-AYHFEMFVSA-N 0 3 258.318 -1.535 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@H]1CC(=O)N1 ZINC000616478386 372829029 /nfs/dbraw/zinc/82/90/29/372829029.db2.gz QXTGXRLWSJQYKS-NXEZZACHSA-N 0 3 282.344 -1.157 20 0 CAADHN COC(=O)COCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000600397714 372864312 /nfs/dbraw/zinc/86/43/12/372864312.db2.gz MWZYOOYBKBSWLV-LLVKDONJSA-N 0 3 285.344 -1.318 20 0 CAADHN Nc1nc(N)nc(NCCCN2CCNC(=O)C2)n1 ZINC000624061177 372873419 /nfs/dbraw/zinc/87/34/19/372873419.db2.gz WGLAAHAHZOYUBC-UHFFFAOYSA-N 0 3 266.309 -2.648 20 0 CAADHN CC[C@@H](N)C(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000130276583 372875640 /nfs/dbraw/zinc/87/56/40/372875640.db2.gz VGRBZSHHDAQDAC-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@H](OC)CN1 ZINC000040635589 372876325 /nfs/dbraw/zinc/87/63/25/372876325.db2.gz HPWATJOQZANDQJ-WDEREUQCSA-N 0 3 287.360 -1.074 20 0 CAADHN C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CN1CC(=O)[N-]C1=O)C2 ZINC000634747542 372878418 /nfs/dbraw/zinc/87/84/18/372878418.db2.gz PFTGNQQVXCVDEA-BETUJISGSA-N 0 3 280.328 -1.004 20 0 CAADHN CN(C)C(=O)N(C)[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624408181 372856928 /nfs/dbraw/zinc/85/69/28/372856928.db2.gz IHRNIQRFQRACFE-ZETCQYMHSA-N 0 3 280.336 -1.111 20 0 CAADHN COC[C@@H](Nc1nc(N)nc(N)n1)C1CCOCC1 ZINC000624385923 372857073 /nfs/dbraw/zinc/85/70/73/372857073.db2.gz UESRDZIEZFIVEP-MRVPVSSYSA-N 0 3 268.321 -1.028 20 0 CAADHN Nc1nc(N)nc(NCCN2C[C@@H]3CCCCN3C2=O)n1 ZINC000624408354 372857254 /nfs/dbraw/zinc/85/72/54/372857254.db2.gz PEDPNWCPSWVLEB-QMMMGPOBSA-N 0 3 292.347 -1.179 20 0 CAADHN C[C@@H]1CN(CCNc2nc(N)nc(N)n2)[C@H](C)CO1 ZINC000624392520 372857330 /nfs/dbraw/zinc/85/73/30/372857330.db2.gz SUDPGBGWBQWLGZ-HTQZYQBOSA-N 0 3 267.337 -1.360 20 0 CAADHN C[NH2+]CCOCC[N-]S(=O)(=O)c1ccn(C)n1 ZINC000624395969 372857984 /nfs/dbraw/zinc/85/79/84/372857984.db2.gz WNCJQBPVLXLXOL-UHFFFAOYSA-N 0 3 262.335 -1.066 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C(=O)N(C)C ZINC000126127453 372879415 /nfs/dbraw/zinc/87/94/15/372879415.db2.gz SQAWNQFGCOJTNC-SCZZXKLOSA-N 0 3 272.349 -1.321 20 0 CAADHN CN(C)CCN1CCN(C(=O)CSCC(N)=O)CC1 ZINC000042389432 372862474 /nfs/dbraw/zinc/86/24/74/372862474.db2.gz BPPUOOJQJADETN-UHFFFAOYSA-N 0 3 288.417 -1.089 20 0 CAADHN COCC(=O)N(C)CC(=O)N1CCN(C)C[C@H]1CN ZINC000518530749 372888231 /nfs/dbraw/zinc/88/82/31/372888231.db2.gz CVHQESYUASWBMP-SNVBAGLBSA-N 0 3 272.349 -1.808 20 0 CAADHN CN(C)CCN1C(=O)C[C@H](N2CCNC(=O)C2)C1=O ZINC000518576161 372888235 /nfs/dbraw/zinc/88/82/35/372888235.db2.gz LQACVZCULUWGJH-VIFPVBQESA-N 0 3 268.317 -1.893 20 0 CAADHN CN(C)CCNS(=O)(=O)C[C@@H]1CNCCO1 ZINC000381257441 372890179 /nfs/dbraw/zinc/89/01/79/372890179.db2.gz QQLYEIOYNRBDDT-VIFPVBQESA-N 0 3 251.352 -1.544 20 0 CAADHN COC(=O)C[C@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000133207398 372890969 /nfs/dbraw/zinc/89/09/69/372890969.db2.gz JHUQEDHQWUTLCG-NSHDSACASA-N 0 3 285.344 -1.318 20 0 CAADHN COC(=O)COCCNC[C@@H](O)CN1CCOCC1 ZINC000600754852 372892055 /nfs/dbraw/zinc/89/20/55/372892055.db2.gz CSABMLYCCJAYMR-LLVKDONJSA-N 0 3 276.333 -1.541 20 0 CAADHN CN(C)S(=O)(=O)CCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000600711634 372893513 /nfs/dbraw/zinc/89/35/13/372893513.db2.gz SYIBLJKWABWQSD-UWVGGRQHSA-N 0 3 290.389 -1.878 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000627355961 372895067 /nfs/dbraw/zinc/89/50/67/372895067.db2.gz VAIDSVKSWUMJJT-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN CS(=O)(=O)N[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623854122 372900822 /nfs/dbraw/zinc/90/08/22/372900822.db2.gz SVOBXIWZPGSUOR-LURJTMIESA-N 0 3 287.349 -1.785 20 0 CAADHN COC(=O)c1cn(CC(=O)N[C@@H](CO)CN(C)C)nn1 ZINC000588865194 372880559 /nfs/dbraw/zinc/88/05/59/372880559.db2.gz ZJRBGZHXXYGZFL-MRVPVSSYSA-N 0 3 285.304 -1.897 20 0 CAADHN CNS(=O)(=O)CCNS(=O)(=O)CCCN(C)C ZINC000632260225 372881450 /nfs/dbraw/zinc/88/14/50/372881450.db2.gz GJLHHZSRQCJODK-UHFFFAOYSA-N 0 3 287.407 -1.593 20 0 CAADHN COC(=O)c1cn(CC(=O)N[C@H](CO)CN(C)C)nn1 ZINC000588865195 372882104 /nfs/dbraw/zinc/88/21/04/372882104.db2.gz ZJRBGZHXXYGZFL-QMMMGPOBSA-N 0 3 285.304 -1.897 20 0 CAADHN CN1CCN(C(=O)CCN2C[C@H](O)C[C@H]2CO)CC1 ZINC000338282426 372904829 /nfs/dbraw/zinc/90/48/29/372904829.db2.gz HUZLCWAOZBDPIX-NWDGAFQWSA-N 0 3 271.361 -1.422 20 0 CAADHN CN1CCN(C(=O)CCN2C[C@@H](O)C[C@H]2CO)CC1 ZINC000338282428 372906309 /nfs/dbraw/zinc/90/63/09/372906309.db2.gz HUZLCWAOZBDPIX-RYUDHWBXSA-N 0 3 271.361 -1.422 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNc2nc(N)nc(N)n2)O1 ZINC000624084909 372906932 /nfs/dbraw/zinc/90/69/32/372906932.db2.gz XDPZHAUSLRZLOW-BQBZGAKWSA-N 0 3 281.320 -1.834 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CO1 ZINC000566236358 372907260 /nfs/dbraw/zinc/90/72/60/372907260.db2.gz CKSQZWMXBXEKFB-VWYCJHECSA-N 0 3 284.360 -1.619 20 0 CAADHN CCO[C@@H]1C[C@H](Nc2nc(N)nc(N)n2)[C@H]1OC ZINC000624101982 372909160 /nfs/dbraw/zinc/90/91/60/372909160.db2.gz HFCIIOGAKXMJNN-RRKCRQDMSA-N 0 3 254.294 -1.277 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@H](O)CN1 ZINC000037811673 372909187 /nfs/dbraw/zinc/90/91/87/372909187.db2.gz AYGZMWNAWNQLIY-UWVGGRQHSA-N 0 3 273.333 -1.728 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000643773615 372909837 /nfs/dbraw/zinc/90/98/37/372909837.db2.gz HSFVCRYXIHXRBB-GARJFASQSA-N 0 3 287.385 -1.335 20 0 CAADHN CCO[C@@H]1C[C@@H](Nc2nc(N)nc(N)n2)[C@@H]1OC ZINC000624101981 372910022 /nfs/dbraw/zinc/91/00/22/372910022.db2.gz HFCIIOGAKXMJNN-QYNIQEEDSA-N 0 3 254.294 -1.277 20 0 CAADHN NCC(=O)NCC(=O)N1CCN2CCCC[C@@H]2C1 ZINC000037812792 372910197 /nfs/dbraw/zinc/91/01/97/372910197.db2.gz NRJQWJNHZQRGGG-SNVBAGLBSA-N 0 3 254.334 -1.242 20 0 CAADHN C[NH+](C)[C@@H](CNC(=O)CN1CC(=O)[N-]C1=O)C1CC1 ZINC000111573308 372910308 /nfs/dbraw/zinc/91/03/08/372910308.db2.gz OYEFFDYCGVUWQX-VIFPVBQESA-N 0 3 268.317 -1.005 20 0 CAADHN COCCNC(=O)CN1CCN(C(=O)C(C)(C)N)CC1 ZINC000237130171 372911491 /nfs/dbraw/zinc/91/14/91/372911491.db2.gz JJWSVSXYUKDXAA-UHFFFAOYSA-N 0 3 286.376 -1.370 20 0 CAADHN CCN(CC)CC(=O)NCCN1C(=O)CNC1=O ZINC000113192068 372911547 /nfs/dbraw/zinc/91/15/47/372911547.db2.gz VOVRDFMVWNOPOM-UHFFFAOYSA-N 0 3 256.306 -1.004 20 0 CAADHN COCCNCC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000237161390 372912185 /nfs/dbraw/zinc/91/21/85/372912185.db2.gz RLEFNYULKJZVIC-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CCO[C@@H](CNC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC000643775731 372912448 /nfs/dbraw/zinc/91/24/48/372912448.db2.gz BMOXAKPYUXKARX-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN CC(C)N(C)CC(=O)NCCN1C(=O)CNC1=O ZINC000113192193 372913123 /nfs/dbraw/zinc/91/31/23/372913123.db2.gz GZXSEELOGDNGOF-UHFFFAOYSA-N 0 3 256.306 -1.005 20 0 CAADHN Cn1cc(S(=O)(=O)NC[C@@H]2CNCCO2)cn1 ZINC000050252885 372914832 /nfs/dbraw/zinc/91/48/32/372914832.db2.gz OXVSLWWFPHMMBB-QMMMGPOBSA-N 0 3 260.319 -1.313 20 0 CAADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)CN)CC1 ZINC000237216686 372916421 /nfs/dbraw/zinc/91/64/21/372916421.db2.gz QBLNXBLCBFMQSF-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCO[C@H](CC(N)=O)C1 ZINC000626075960 372917741 /nfs/dbraw/zinc/91/77/41/372917741.db2.gz ALHZTMBRKAONPN-VXGBXAGGSA-N 0 3 289.376 -1.498 20 0 CAADHN CC(C)[C@H](N)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000574414424 335018173 /nfs/dbraw/zinc/01/81/73/335018173.db2.gz RIOYHDZNIDMRTB-BBBLOLIVSA-N 0 3 254.334 -1.260 20 0 CAADHN CN(C)S(=O)(=O)CCCN(CCO)CCO ZINC000075714201 372922015 /nfs/dbraw/zinc/92/20/15/372922015.db2.gz YBKAMOGYYVNEOD-UHFFFAOYSA-N 0 3 254.352 -1.446 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CCCCO2)[C@H](CN)C1 ZINC000562821330 372952885 /nfs/dbraw/zinc/95/28/85/372952885.db2.gz OAZXBHGHAKCHHU-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN CN(CCn1cncn1)C[C@@H](O)CN1CCOCC1 ZINC000083244945 372952916 /nfs/dbraw/zinc/95/29/16/372952916.db2.gz FHMPGKBFDMJCKW-GFCCVEGCSA-N 0 3 269.349 -1.097 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000642926279 372926019 /nfs/dbraw/zinc/92/60/19/372926019.db2.gz AEAOQTHDYSCSBW-GFCCVEGCSA-N 0 3 296.371 -1.602 20 0 CAADHN CCC(=O)N[C@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000642924612 372926362 /nfs/dbraw/zinc/92/63/62/372926362.db2.gz UYOLBTYXLWHANP-VIFPVBQESA-N 0 3 282.344 -1.408 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCCC[C@@H]1CCO ZINC000642925865 372926468 /nfs/dbraw/zinc/92/64/68/372926468.db2.gz ALFLDNCYPKPNEY-SNVBAGLBSA-N 0 3 255.318 -1.162 20 0 CAADHN CN(CCn1cncn1)C[C@H](O)CN1CCOCC1 ZINC000083244944 372952992 /nfs/dbraw/zinc/95/29/92/372952992.db2.gz FHMPGKBFDMJCKW-LBPRGKRZSA-N 0 3 269.349 -1.097 20 0 CAADHN CO[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000562827981 372953014 /nfs/dbraw/zinc/95/30/14/372953014.db2.gz JRUKRAIJAOQQLW-GRYCIOLGSA-N 0 3 298.387 -1.229 20 0 CAADHN COC(=O)CNC(=O)CCN1CCNC(=O)C[C@@H]1C ZINC000363489675 372930087 /nfs/dbraw/zinc/93/00/87/372930087.db2.gz MDJIUEFYZDKPAX-VIFPVBQESA-N 0 3 271.317 -1.124 20 0 CAADHN CN1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000600965050 372932297 /nfs/dbraw/zinc/93/22/97/372932297.db2.gz FJAWFABGVDAFHO-MRVPVSSYSA-N 0 3 254.290 -1.251 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566508685 372933193 /nfs/dbraw/zinc/93/31/93/372933193.db2.gz KYASDIDPKOKEDM-VPOLOUISSA-N 0 3 298.343 -1.646 20 0 CAADHN O=C(NC[C@H]1CNCCO1)c1nc2n(n1)CCCN2 ZINC000643801272 372935079 /nfs/dbraw/zinc/93/50/79/372935079.db2.gz VZKURFNTYYMKEB-MRVPVSSYSA-N 0 3 266.305 -1.931 20 0 CAADHN COCCOCCN(C)CCC(=O)N1CCNC(=O)C1 ZINC000635103502 372935240 /nfs/dbraw/zinc/93/52/40/372935240.db2.gz GZMQBGOCGGFDDZ-UHFFFAOYSA-N 0 3 287.360 -1.070 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000566620525 372935316 /nfs/dbraw/zinc/93/53/16/372935316.db2.gz JUAYUUAOSKWNEF-UTUOFQBUSA-N 0 3 297.355 -1.272 20 0 CAADHN CN1CC[C@@](N)(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000643799508 372935649 /nfs/dbraw/zinc/93/56/49/372935649.db2.gz WULWQFPHNLJCSE-BREBYQMCSA-N 0 3 266.345 -1.244 20 0 CAADHN O=C([C@H]1CNCCOC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000643799491 372936198 /nfs/dbraw/zinc/93/61/98/372936198.db2.gz VJWLYVKFZPKROD-HBNTYKKESA-N 0 3 267.329 -1.041 20 0 CAADHN O=C(Cn1nc2ccccn2c1=O)NC[C@H]1CNCCO1 ZINC000575039248 372941874 /nfs/dbraw/zinc/94/18/74/372941874.db2.gz AJUJEZXHPVBSMW-SNVBAGLBSA-N 0 3 291.311 -1.399 20 0 CAADHN CCN(C)CCNC(=O)CNS(=O)(=O)CC ZINC000151727522 372948688 /nfs/dbraw/zinc/94/86/88/372948688.db2.gz CSWBTDNHKVJPGL-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN COC(=O)CN(CC(=O)OC)C(=O)C(C)S(C)(=O)=O ZINC000134648615 372949398 /nfs/dbraw/zinc/94/93/98/372949398.db2.gz PVHYWQCGDSLJNQ-ZETCQYMHSA-N 0 3 295.313 -1.406 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H]1CCCCN1CCO ZINC000622631504 372953922 /nfs/dbraw/zinc/95/39/22/372953922.db2.gz PHSGHFJCVNETJD-SNVBAGLBSA-N 0 3 272.349 -1.122 20 0 CAADHN CS[C@H](C)CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000562825903 372951104 /nfs/dbraw/zinc/95/11/04/372951104.db2.gz ZFVXGBNYZWZRDL-ZJUUUORDSA-N 0 3 288.417 -1.045 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618308181 372959218 /nfs/dbraw/zinc/95/92/18/372959218.db2.gz AMAGDRBWUKNTQO-SNVBAGLBSA-N 0 3 286.376 -1.024 20 0 CAADHN CN1CCC[C@@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC000635571867 372959243 /nfs/dbraw/zinc/95/92/43/372959243.db2.gz YYNVGWFAOQUBLL-SNVBAGLBSA-N 0 3 254.334 -1.290 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCNC(N)=O ZINC000618302410 372959438 /nfs/dbraw/zinc/95/94/38/372959438.db2.gz PAANLTAFBSYCEY-UHFFFAOYSA-N 0 3 287.364 -1.477 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC000635704313 372966104 /nfs/dbraw/zinc/96/61/04/372966104.db2.gz SGVDWDNWOQWBQW-VIFPVBQESA-N 0 3 268.317 -1.763 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC000635704312 372967330 /nfs/dbraw/zinc/96/73/30/372967330.db2.gz SGVDWDNWOQWBQW-SECBINFHSA-N 0 3 268.317 -1.763 20 0 CAADHN O=C([C@@H]1CN2CCC[C@@H]2CO1)N1C[C@H](O)C[C@@H]1CO ZINC000635743536 372968705 /nfs/dbraw/zinc/96/87/05/372968705.db2.gz PXFPXAUTYZYALA-KKOKHZNYSA-N 0 3 270.329 -1.196 20 0 CAADHN O=C([C@@H]1CN2CCC[C@@H]2CO1)N1C[C@@H](O)C[C@@H]1CO ZINC000635743736 372969129 /nfs/dbraw/zinc/96/91/29/372969129.db2.gz PXFPXAUTYZYALA-WYUUTHIRSA-N 0 3 270.329 -1.196 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@H](C)N(C)C)N(C)C ZINC000635798414 372969360 /nfs/dbraw/zinc/96/93/60/372969360.db2.gz VUOSELUACAZBEI-DCAQKATOSA-N 0 3 288.392 -1.520 20 0 CAADHN C[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H](C)N(C)C)N(C)C ZINC000635798415 372969452 /nfs/dbraw/zinc/96/94/52/372969452.db2.gz VUOSELUACAZBEI-MXWKQRLJSA-N 0 3 288.392 -1.520 20 0 CAADHN CCN(CCO)CCNC(=O)[C@]1(C)CCNC1=O ZINC000635809948 372971906 /nfs/dbraw/zinc/97/19/06/372971906.db2.gz QFLHUUMWAZXRFI-GFCCVEGCSA-N 0 3 257.334 -1.057 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@]1(C)CCN(C)C1=O ZINC000635929853 372976565 /nfs/dbraw/zinc/97/65/65/372976565.db2.gz YGNIHKAFXIIJPU-SKDRFNHKSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@]1(C)CCN(C)C1=O ZINC000635929851 372978056 /nfs/dbraw/zinc/97/80/56/372978056.db2.gz YGNIHKAFXIIJPU-CABZTGNLSA-N 0 3 257.334 -1.107 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000635964189 372979398 /nfs/dbraw/zinc/97/93/98/372979398.db2.gz RPIBPXLNDAWLDS-OUAUKWLOSA-N 0 3 285.344 -1.192 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1O ZINC000635949016 372980030 /nfs/dbraw/zinc/98/00/30/372980030.db2.gz YCEXBJLIGAAAGM-HOTUBEGUSA-N 0 3 255.318 -1.354 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CCCN(CCCO)C1 ZINC000622631678 372954626 /nfs/dbraw/zinc/95/46/26/372954626.db2.gz SLMGEMJJFOAYCM-SNVBAGLBSA-N 0 3 268.321 -1.364 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC(=O)N1 ZINC000618300291 372956326 /nfs/dbraw/zinc/95/63/26/372956326.db2.gz SFBNMVWIJWMLNN-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CCC(=O)N1 ZINC000618300292 372957443 /nfs/dbraw/zinc/95/74/43/372957443.db2.gz SFBNMVWIJWMLNN-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CO[C@H](CN)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000643981251 372992172 /nfs/dbraw/zinc/99/21/72/372992172.db2.gz WYZXGJHEOIUNLV-MRVPVSSYSA-N 0 3 281.378 -1.206 20 0 CAADHN CC(C)(CC(N)=O)NCC(=O)N1CCNC(=O)C1 ZINC000186248663 373011049 /nfs/dbraw/zinc/01/10/49/373011049.db2.gz KOTGFSCWXMEATB-UHFFFAOYSA-N 0 3 256.306 -1.812 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2C[C@@H](O)C2)CC1=O ZINC000636121312 372993465 /nfs/dbraw/zinc/99/34/65/372993465.db2.gz TWVGNMOKLDUHOU-PHIMTYICSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@]2(C)CCNC2=O)CC1=O ZINC000636118964 372993512 /nfs/dbraw/zinc/99/35/12/372993512.db2.gz GQTRFUITECYSAG-CQSZACIVSA-N 0 3 296.371 -1.255 20 0 CAADHN CS(=O)(=O)NCCNC(=O)[C@H]1CNCCC1(F)F ZINC000644042428 372997024 /nfs/dbraw/zinc/99/70/24/372997024.db2.gz UYJFPLQRCNXGCI-SSDOTTSWSA-N 0 3 285.316 -1.103 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CSCN3)CCN2C1=O ZINC000570582591 372998451 /nfs/dbraw/zinc/99/84/51/372998451.db2.gz BBNVOFMAWCCWKU-DJLDLDEBSA-N 0 3 270.358 -1.581 20 0 CAADHN COCCN(C(=O)C(=O)NC1CNC1)[C@@H]1CCOC1 ZINC000570502022 372998503 /nfs/dbraw/zinc/99/85/03/372998503.db2.gz WAYTUQQZNVNOQE-SNVBAGLBSA-N 0 3 271.317 -1.662 20 0 CAADHN N[C@@H]1C[C@H]2CN(CCC(=O)N3CCNCC3)CCN2C1=O ZINC000570643892 372999298 /nfs/dbraw/zinc/99/92/98/372999298.db2.gz BUSRCIAJDAQCSW-NWDGAFQWSA-N 0 3 295.387 -1.948 20 0 CAADHN N[C@H]1C[C@@H]2CN(CCC(=O)N3CCNCC3)CCN2C1=O ZINC000570643886 372999961 /nfs/dbraw/zinc/99/99/61/372999961.db2.gz BUSRCIAJDAQCSW-NEPJUHHUSA-N 0 3 295.387 -1.948 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 ZINC000574976262 373011218 /nfs/dbraw/zinc/01/12/18/373011218.db2.gz QUMGNIUXFNYTOU-VIFPVBQESA-N 0 3 281.234 -1.400 20 0 CAADHN COC[C@@H]1CN(C(=O)C(=O)NC2CNC2)C[C@@H](C)O1 ZINC000574428516 335019056 /nfs/dbraw/zinc/01/90/56/335019056.db2.gz WMBLYULGDJNAKT-SCZZXKLOSA-N 0 3 271.317 -1.663 20 0 CAADHN CN1CCN(C(=O)NCC(F)(F)CN)[C@@H](CN)C1 ZINC000574426983 335019068 /nfs/dbraw/zinc/01/90/68/335019068.db2.gz VUQYGKUDEQSYLV-QMMMGPOBSA-N 0 3 265.308 -1.135 20 0 CAADHN CCCNS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000570740041 373001674 /nfs/dbraw/zinc/00/16/74/373001674.db2.gz HPAPWGCHJZTFFG-RKDXNWHRSA-N 0 3 276.362 -1.525 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1COCCN1C)C(=O)NCCN(C)C ZINC000570824837 373001698 /nfs/dbraw/zinc/00/16/98/373001698.db2.gz VUKHVYXEEXCKRK-MNOVXSKESA-N 0 3 286.376 -1.501 20 0 CAADHN COCCNCC(=O)NCCNC(=O)c1ccn[nH]1 ZINC000570840443 373004195 /nfs/dbraw/zinc/00/41/95/373004195.db2.gz XCHKPNMOJLTGMI-UHFFFAOYSA-N 0 3 269.305 -1.508 20 0 CAADHN O=C(COC1CNC1)NCCNC(=O)c1ccn[nH]1 ZINC000574915432 373008584 /nfs/dbraw/zinc/00/85/84/373008584.db2.gz XLPRUMZBSHMELH-UHFFFAOYSA-N 0 3 267.289 -1.756 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)[C@H](CN)C1 ZINC000162539305 373009852 /nfs/dbraw/zinc/00/98/52/373009852.db2.gz WUQJYKJMAXBKPQ-GHMZBOCLSA-N 0 3 268.361 -1.044 20 0 CAADHN CCS(=O)(=O)NCCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000580095894 373010396 /nfs/dbraw/zinc/01/03/96/373010396.db2.gz KPZSRNVKSBHYGL-ZJUUUORDSA-N 0 3 290.389 -1.831 20 0 CAADHN CN1CCN(C(=O)NCCN2CCCC2=O)[C@H](CN)C1 ZINC000569817553 372983235 /nfs/dbraw/zinc/98/32/35/372983235.db2.gz PIHMIRDGOUYWLS-LLVKDONJSA-N 0 3 283.376 -1.107 20 0 CAADHN C[N@@H+]1CC[C@@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)C1 ZINC000538708821 372983661 /nfs/dbraw/zinc/98/36/61/372983661.db2.gz RUIPKIQULNYWIT-RKDXNWHRSA-N 0 3 266.301 -1.299 20 0 CAADHN C[N@H+]1CC[C@@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)C1 ZINC000538708821 372983673 /nfs/dbraw/zinc/98/36/73/372983673.db2.gz RUIPKIQULNYWIT-RKDXNWHRSA-N 0 3 266.301 -1.299 20 0 CAADHN CCCC(=O)NCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569868525 372984901 /nfs/dbraw/zinc/98/49/01/372984901.db2.gz UXZFVMPKQGQZJE-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](CCN1CCN(C)CC1)Nc1nc(N)nc(N)n1 ZINC000624108933 372984909 /nfs/dbraw/zinc/98/49/09/372984909.db2.gz IWEMEBHWPLOBQS-SECBINFHSA-N 0 3 280.380 -1.443 20 0 CAADHN N[C@H]1C[C@@H]2CN(CC(=O)NCC3CC3)CCN2C1=O ZINC000570107452 372987760 /nfs/dbraw/zinc/98/77/60/372987760.db2.gz LDRINWQLFLFACW-MNOVXSKESA-N 0 3 266.345 -1.244 20 0 CAADHN CC(C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000570058508 372988282 /nfs/dbraw/zinc/98/82/82/372988282.db2.gz WVZOPWHVWXAUGA-MNOVXSKESA-N 0 3 296.371 -1.081 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCC1=CCN(C)CC1 ZINC000570101659 372988432 /nfs/dbraw/zinc/98/84/32/372988432.db2.gz CASILNKSJWJZCG-UHFFFAOYSA-N 0 3 276.362 -1.582 20 0 CAADHN N[C@@H]1C[C@H]2CN(CC(=O)NCC3CC3)CCN2C1=O ZINC000570107454 372988563 /nfs/dbraw/zinc/98/85/63/372988563.db2.gz LDRINWQLFLFACW-WDEREUQCSA-N 0 3 266.345 -1.244 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)C[C@H]1COCCN1 ZINC000570157479 372988857 /nfs/dbraw/zinc/98/88/57/372988857.db2.gz DYKDMAHDOFMWSF-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCC[C@@H]1C(=O)NC1CC1 ZINC000570265956 372989654 /nfs/dbraw/zinc/98/96/54/372989654.db2.gz QMAZQHKBPXLHRI-SNVBAGLBSA-N 0 3 280.328 -1.656 20 0 CAADHN CCN(C)C[C@@H](O)Cn1nnc2c(cnn2C)c1=O ZINC000388725630 373027203 /nfs/dbraw/zinc/02/72/03/373027203.db2.gz JPOOHSZYJHLYTE-MRVPVSSYSA-N 0 3 266.305 -1.162 20 0 CAADHN CN1CCN(C(=O)C(=O)NCc2ccoc2)[C@H](CN)C1 ZINC000582052873 373028462 /nfs/dbraw/zinc/02/84/62/373028462.db2.gz IWQWNSIUESMKDF-LLVKDONJSA-N 0 3 280.328 -1.003 20 0 CAADHN CCOC(=O)[C@@](C)(O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000582041077 373029964 /nfs/dbraw/zinc/02/99/64/373029964.db2.gz WMKSOBSMVFDKKO-NHCYSSNCSA-N 0 3 260.334 -1.093 20 0 CAADHN CCN(C(=O)CN1CCNCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000019976656 373040268 /nfs/dbraw/zinc/04/02/68/373040268.db2.gz DZSAGFFBHVNKND-LLVKDONJSA-N 0 3 289.401 -1.073 20 0 CAADHN CNC(=O)CN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000563057412 373031997 /nfs/dbraw/zinc/03/19/97/373031997.db2.gz XIKPWZUXDFTKBT-QMMMGPOBSA-N 0 3 282.266 -1.234 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000364145529 373033995 /nfs/dbraw/zinc/03/39/95/373033995.db2.gz GRGDWCXGBOMCNK-JTQLQIEISA-N 0 3 290.389 -1.958 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)CCCN(C)C ZINC000601357249 373034194 /nfs/dbraw/zinc/03/41/94/373034194.db2.gz OXOHYDGGCKIYSF-ZJUUUORDSA-N 0 3 294.373 -1.124 20 0 CAADHN CC[C@H](C(=O)NCCS(=O)(=O)NC)N(C)C ZINC000188942562 373035474 /nfs/dbraw/zinc/03/54/74/373035474.db2.gz MIGSVSMWZFEJTO-MRVPVSSYSA-N 0 3 251.352 -1.008 20 0 CAADHN CN(CCC(=O)N1CCNCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000019685420 373038277 /nfs/dbraw/zinc/03/82/77/373038277.db2.gz JLDPHRJJNICFQM-LLVKDONJSA-N 0 3 289.401 -1.073 20 0 CAADHN O=C(NC[C@H](O)[C@@H]1CCOC1)[C@@H]1CN2CCN1CCC2 ZINC000536541924 373012324 /nfs/dbraw/zinc/01/23/24/373012324.db2.gz MXRIUKFJGZGLAG-AGIUHOORSA-N 0 3 283.372 -1.110 20 0 CAADHN CC(=O)NCCN(C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000308129417 373015169 /nfs/dbraw/zinc/01/51/69/373015169.db2.gz BEBTWTRFFCMOQM-NSHDSACASA-N 0 3 272.349 -1.320 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@@H]1CNCCO1 ZINC000562981573 373015257 /nfs/dbraw/zinc/01/52/57/373015257.db2.gz UTPYOPQPKVZRNW-VIFPVBQESA-N 0 3 259.306 -1.804 20 0 CAADHN CN(CCNC(=O)C(=O)NCCN1CCCC1=O)C1CC1 ZINC000580208801 373015404 /nfs/dbraw/zinc/01/54/04/373015404.db2.gz NSPGTXXSMFZYBK-UHFFFAOYSA-N 0 3 296.371 -1.065 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)[C@H]1CCNC1=O ZINC000580211908 373015479 /nfs/dbraw/zinc/01/54/79/373015479.db2.gz OVTCMDYACSNREI-QWRGUYRKSA-N 0 3 259.350 -1.254 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCO[C@H](C(=O)OC)C1 ZINC000312922460 373018710 /nfs/dbraw/zinc/01/87/10/373018710.db2.gz MOUYHXLBWMJRNJ-NEPJUHHUSA-N 0 3 290.360 -1.201 20 0 CAADHN O=C(NC[C@H]1CN2CCN1CC2)c1cc(=O)[n-]cn1 ZINC000626225580 373039280 /nfs/dbraw/zinc/03/92/80/373039280.db2.gz BZNSMZDVGOHPDB-VIFPVBQESA-N 0 3 263.301 -1.088 20 0 CAADHN CN1CCC[C@H](NC(=O)C(=O)NCC(F)(F)CN)C1 ZINC000642994809 373020789 /nfs/dbraw/zinc/02/07/89/373020789.db2.gz FPCMZBVHZNDSBK-QMMMGPOBSA-N 0 3 278.303 -1.093 20 0 CAADHN O=C(CCN1CC[C@@H](CO)[C@@H](O)C1)N1CCOCC1 ZINC000580273192 373020938 /nfs/dbraw/zinc/02/09/38/373020938.db2.gz CSQHPVSGIVFSPD-RYUDHWBXSA-N 0 3 272.345 -1.090 20 0 CAADHN CN(CCN1CCCS1(=O)=O)c1nc(N)nc(N)n1 ZINC000624012556 373021190 /nfs/dbraw/zinc/02/11/90/373021190.db2.gz AMVIHGJJZGOIDT-UHFFFAOYSA-N 0 3 287.349 -1.832 20 0 CAADHN CCOC(=O)C[C@@H](CO)NC(=O)C(C)S(C)(=O)=O ZINC000590381417 373023074 /nfs/dbraw/zinc/02/30/74/373023074.db2.gz BHAGWRHKOSEUPN-SFYZADRCSA-N 0 3 281.330 -1.150 20 0 CAADHN CCOC(=O)C[C@@H](CO)NC(=O)C(C)S(C)(=O)=O ZINC000590381419 373023447 /nfs/dbraw/zinc/02/34/47/373023447.db2.gz BHAGWRHKOSEUPN-YUMQZZPRSA-N 0 3 281.330 -1.150 20 0 CAADHN COCCNCC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000580323431 373024620 /nfs/dbraw/zinc/02/46/20/373024620.db2.gz YGTGYLLCSVAJJQ-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN O=C(N[C@H]1CCNC1=O)[C@@H]1CN2CCN1CCC2 ZINC000616960853 373049713 /nfs/dbraw/zinc/04/97/13/373049713.db2.gz NQHHAQMSSOYYAG-UWVGGRQHSA-N 0 3 252.318 -1.619 20 0 CAADHN CN(CCNC(=O)C(=O)NC[C@H]1COCCN1C)C1CC1 ZINC000636612920 373051574 /nfs/dbraw/zinc/05/15/74/373051574.db2.gz SRYTZPNNDICZOC-LBPRGKRZSA-N 0 3 298.387 -1.356 20 0 CAADHN CN(CCNC(=O)C(=O)NC[C@@H]1COCCN1C)C1CC1 ZINC000636612919 373052310 /nfs/dbraw/zinc/05/23/10/373052310.db2.gz SRYTZPNNDICZOC-GFCCVEGCSA-N 0 3 298.387 -1.356 20 0 CAADHN Cn1nnnc1CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000590790696 373052567 /nfs/dbraw/zinc/05/25/67/373052567.db2.gz YYOUXDHWENEBSN-UHFFFAOYSA-N 0 3 293.375 -1.050 20 0 CAADHN CSCCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000591373141 373055498 /nfs/dbraw/zinc/05/54/98/373055498.db2.gz XGUMVTOQMSOIFL-JTQLQIEISA-N 0 3 288.417 -1.043 20 0 CAADHN C[C@H](NCCC(=O)NC(N)=O)[C@@H]1CN(C)CCO1 ZINC000591756548 373059501 /nfs/dbraw/zinc/05/95/01/373059501.db2.gz DFIPEDGEPCSPGD-IUCAKERBSA-N 0 3 258.322 -1.120 20 0 CAADHN CC(C)(C)NS(=O)(=O)CCNCCC(=O)NC(N)=O ZINC000591725401 373059772 /nfs/dbraw/zinc/05/97/72/373059772.db2.gz XIOMMRHXHFEDGA-UHFFFAOYSA-N 0 3 294.377 -1.121 20 0 CAADHN COC(=O)C[C@H](N)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000591898176 373062147 /nfs/dbraw/zinc/06/21/47/373062147.db2.gz BGBKUGCRAYDZMU-VIFPVBQESA-N 0 3 286.332 -2.233 20 0 CAADHN COCCOC[C@H](O)CN1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592194613 373063952 /nfs/dbraw/zinc/06/39/52/373063952.db2.gz PPOIACXILZGEHS-SDDRHHMPSA-N 0 3 291.344 -1.134 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](O)CN(CCCN2C(=O)CNC2=O)C1 ZINC000592202928 373066082 /nfs/dbraw/zinc/06/60/82/373066082.db2.gz QIWSENKIYDWISY-NXEZZACHSA-N 0 3 299.327 -1.216 20 0 CAADHN CNC(=O)NC(=O)CCN1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592199315 373066596 /nfs/dbraw/zinc/06/65/96/373066596.db2.gz TVEPWITYHBRNKS-RKDXNWHRSA-N 0 3 287.316 -1.312 20 0 CAADHN COC(=O)[C@H]1C[C@@H](O)CN(CCCC(=O)NC(N)=O)C1 ZINC000592198644 373066613 /nfs/dbraw/zinc/06/66/13/373066613.db2.gz HUZFOVKQLQKZHR-DTWKUNHWSA-N 0 3 287.316 -1.183 20 0 CAADHN COC(=O)[C@@H]1C[C@H](O)CN(CCCN2C(=O)CNC2=O)C1 ZINC000592202931 373067717 /nfs/dbraw/zinc/06/77/17/373067717.db2.gz QIWSENKIYDWISY-ZJUUUORDSA-N 0 3 299.327 -1.216 20 0 CAADHN COC(=O)[C@@H]1C[C@H](O)CN(CCC(=O)NC(N)=O)C1 ZINC000592205396 373068127 /nfs/dbraw/zinc/06/81/27/373068127.db2.gz WNEMGVUGIMGBDA-SFYZADRCSA-N 0 3 273.289 -1.573 20 0 CAADHN COC(=O)[C@H]1C[C@H](O)CN(CCCN2C(=O)CNC2=O)C1 ZINC000592202929 373068155 /nfs/dbraw/zinc/06/81/55/373068155.db2.gz QIWSENKIYDWISY-UWVGGRQHSA-N 0 3 299.327 -1.216 20 0 CAADHN CCN(C(=O)CN1CCNCC1)[C@H]1CCS(=O)(=O)C1 ZINC000019976659 373041256 /nfs/dbraw/zinc/04/12/56/373041256.db2.gz DZSAGFFBHVNKND-NSHDSACASA-N 0 3 289.401 -1.073 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N1CCN[C@H](C(C)C)C1)C(N)=O ZINC000621154438 373042483 /nfs/dbraw/zinc/04/24/83/373042483.db2.gz LGGVXJJMTYXOGB-QWRGUYRKSA-N 0 3 284.360 -1.177 20 0 CAADHN CCN1CCN(CC(=O)N[C@@H]2CCCN(C)C2)C(=O)C1=O ZINC000618424955 373046038 /nfs/dbraw/zinc/04/60/38/373046038.db2.gz UMXXRHRKIXBASQ-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CCN1 ZINC000621159823 373047409 /nfs/dbraw/zinc/04/74/09/373047409.db2.gz SOFOUIWXSYLEKT-JTQLQIEISA-N 0 3 292.405 -1.161 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1CC(=O)NC(N)=O ZINC000592489386 373074049 /nfs/dbraw/zinc/07/40/49/373074049.db2.gz RZRLSOXIGNQGRY-ZETCQYMHSA-N 0 3 258.278 -1.982 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)COC1(C)CNC1 ZINC000592564565 373074194 /nfs/dbraw/zinc/07/41/94/373074194.db2.gz IVARYWZUQXGIHA-ONGXEEELSA-N 0 3 286.328 -1.110 20 0 CAADHN CCNC(=O)NC(=O)CN1CCCNC[C@@H]1C(=O)OC ZINC000592491486 373074450 /nfs/dbraw/zinc/07/44/50/373074450.db2.gz LBTNLRRFJRYWHZ-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN NC(=O)NC(=O)CCNC(=O)[C@H]1CNCCC1(F)F ZINC000592541280 373074655 /nfs/dbraw/zinc/07/46/55/373074655.db2.gz CNXXXNYLFDROQU-ZCFIWIBFSA-N 0 3 278.259 -1.068 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1Cc1nnnn1C ZINC000592489457 373074751 /nfs/dbraw/zinc/07/47/51/373074751.db2.gz SQNGPISZEQMGGZ-QMMMGPOBSA-N 0 3 254.294 -1.453 20 0 CAADHN CNC(=O)NC(=O)CN1CCCNC[C@@H]1C(=O)OC ZINC000592491424 373074778 /nfs/dbraw/zinc/07/47/78/373074778.db2.gz JUILOZSJQZPZFJ-MRVPVSSYSA-N 0 3 272.305 -1.721 20 0 CAADHN CCNC(=O)NC(=O)CN1CCCNC[C@H]1C(=O)OC ZINC000592491487 373074929 /nfs/dbraw/zinc/07/49/29/373074929.db2.gz LBTNLRRFJRYWHZ-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CC1(OCC(=O)NCCC(=O)NC(N)=O)CNC1 ZINC000592541268 373075013 /nfs/dbraw/zinc/07/50/13/373075013.db2.gz BIZQYTDLERHQJV-UHFFFAOYSA-N 0 3 258.278 -1.934 20 0 CAADHN COCCNCC(=O)N1CCCNC[C@@H]1C(=O)OC ZINC000592547684 373075048 /nfs/dbraw/zinc/07/50/48/373075048.db2.gz JRQWKTFCGSZFIM-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN COC(=O)[C@H]1CNCCCN1CC(=O)N1CCOCC1 ZINC000592491284 373075255 /nfs/dbraw/zinc/07/52/55/373075255.db2.gz JFVLQEPASXSXRY-LLVKDONJSA-N 0 3 285.344 -1.318 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)C[C@H]1CNCCO1 ZINC000592548396 373077411 /nfs/dbraw/zinc/07/74/11/373077411.db2.gz OQQLNYYVRRXJCF-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)C[C@@H]1CNCCO1 ZINC000592548395 373077449 /nfs/dbraw/zinc/07/74/49/373077449.db2.gz OQQLNYYVRRXJCF-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN COCCN(C)C[C@H](O)CN[C@@H]1CCO[C@@H]1C(=O)OC ZINC000595658598 373116532 /nfs/dbraw/zinc/11/65/32/373116532.db2.gz FYYKJGLGVYENDG-UTUOFQBUSA-N 0 3 290.360 -1.154 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)[C@@H]1NCC1(C)C ZINC000592558586 373079067 /nfs/dbraw/zinc/07/90/67/373079067.db2.gz CQJRQPQWBIRMNQ-JTQLQIEISA-N 0 3 271.317 -1.139 20 0 CAADHN COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000592907649 373082808 /nfs/dbraw/zinc/08/28/08/373082808.db2.gz GEASKTQZJJHIIT-YIZRAAEISA-N 0 3 293.341 -1.198 20 0 CAADHN COC(=O)C[C@H](N)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000592960189 373085353 /nfs/dbraw/zinc/08/53/53/373085353.db2.gz ZPSJODLGYAWTIB-TUAOUCFPSA-N 0 3 299.371 -1.066 20 0 CAADHN C[C@H](C(=O)NC(N)=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593049509 373086515 /nfs/dbraw/zinc/08/65/15/373086515.db2.gz AQKNCLIOKDINNX-SECBINFHSA-N 0 3 285.348 -1.724 20 0 CAADHN CN(C)CCN1CCN(CCC(=O)NC(N)=O)CC1=O ZINC000593052142 373087123 /nfs/dbraw/zinc/08/71/23/373087123.db2.gz NYSPUEDXXAOWJZ-UHFFFAOYSA-N 0 3 285.348 -1.723 20 0 CAADHN CCNC(=O)NC(=O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000593052388 373087548 /nfs/dbraw/zinc/08/75/48/373087548.db2.gz ZJLVBKILHHXTDM-UHFFFAOYSA-N 0 3 299.375 -1.462 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N1CCN(CCN(C)C)C(=O)C1 ZINC000593051922 373087616 /nfs/dbraw/zinc/08/76/16/373087616.db2.gz PZFAGRNPVZFOBY-JTQLQIEISA-N 0 3 299.375 -1.464 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN(CCN2C(=O)CNC2=O)C1 ZINC000595533542 373117344 /nfs/dbraw/zinc/11/73/44/373117344.db2.gz AZAHYPKSJWKDJY-SNVBAGLBSA-N 0 3 298.343 -1.425 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NC2CNC2)C[C@H]1C1CC1 ZINC000593780578 373094467 /nfs/dbraw/zinc/09/44/67/373094467.db2.gz SHIGSFXGMGOCIZ-WDEREUQCSA-N 0 3 295.339 -1.268 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCN)C[C@H]1C1CC1 ZINC000593777320 373094707 /nfs/dbraw/zinc/09/47/07/373094707.db2.gz LPLTWZTZJVRZHO-VHSXEESVSA-N 0 3 283.328 -1.281 20 0 CAADHN COCCNCC(=O)N1CCO[C@H](C(=O)OC)C1 ZINC000593913057 373095879 /nfs/dbraw/zinc/09/58/79/373095879.db2.gz WJVSMOLSOPIKLC-VIFPVBQESA-N 0 3 260.290 -1.377 20 0 CAADHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@@H](O)CN1CCOCC1 ZINC000595668198 373117564 /nfs/dbraw/zinc/11/75/64/373117564.db2.gz RKKLZDKRKHTUIC-GRYCIOLGSA-N 0 3 288.344 -1.400 20 0 CAADHN COC(=O)CNC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594025790 373098101 /nfs/dbraw/zinc/09/81/01/373098101.db2.gz ZYJAHMLXYBPSJQ-VHSXEESVSA-N 0 3 271.317 -1.974 20 0 CAADHN CCOC(=O)CN(C)C(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027451 373098158 /nfs/dbraw/zinc/09/81/58/373098158.db2.gz OZPXVELMDUDDSU-NWDGAFQWSA-N 0 3 299.371 -1.241 20 0 CAADHN NC(=O)NC(=O)CCCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027521 373098379 /nfs/dbraw/zinc/09/83/79/373098379.db2.gz QIPKEVTZLMELMC-VHSXEESVSA-N 0 3 270.333 -1.288 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594025427 373098569 /nfs/dbraw/zinc/09/85/69/373098569.db2.gz KWYINSVHZQAWGE-UMNHJUIQSA-N 0 3 258.318 -1.339 20 0 CAADHN COC(=O)CCNC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594023552 373098717 /nfs/dbraw/zinc/09/87/17/373098717.db2.gz PNPACXHDFPSRMV-WDEREUQCSA-N 0 3 285.344 -1.584 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000594027037 373099193 /nfs/dbraw/zinc/09/91/93/373099193.db2.gz KLZDOPGROJKHII-NWDGAFQWSA-N 0 3 299.371 -1.241 20 0 CAADHN COC(=O)[C@H]1CN(C)CCN(CCN2C(=O)CNC2=O)C1 ZINC000595533539 373117755 /nfs/dbraw/zinc/11/77/55/373117755.db2.gz AZAHYPKSJWKDJY-JTQLQIEISA-N 0 3 298.343 -1.425 20 0 CAADHN CCOC(=O)C[C@H](O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594387575 373100299 /nfs/dbraw/zinc/10/02/99/373100299.db2.gz UTHFMVNTBRBBHY-AXFHLTTASA-N 0 3 286.328 -1.422 20 0 CAADHN COC(=O)C[C@H](N)C(=O)N[C@@H](CN)C(F)(F)F ZINC000594452761 373102115 /nfs/dbraw/zinc/10/21/15/373102115.db2.gz VRUIMYDGUSTPJW-WHFBIAKZSA-N 0 3 257.212 -1.117 20 0 CAADHN COC[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594660333 373102162 /nfs/dbraw/zinc/10/21/62/373102162.db2.gz MVSQRLWWJJZHOY-LPEHRKFASA-N 0 3 270.333 -1.025 20 0 CAADHN COC(=O)COCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594421867 373103284 /nfs/dbraw/zinc/10/32/84/373103284.db2.gz HRCCHYHRNJKPRM-VHSXEESVSA-N 0 3 272.301 -1.547 20 0 CAADHN COC[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594660331 373103382 /nfs/dbraw/zinc/10/33/82/373103382.db2.gz MVSQRLWWJJZHOY-GUBZILKMSA-N 0 3 270.333 -1.025 20 0 CAADHN CCN(C)S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875304 373104336 /nfs/dbraw/zinc/10/43/36/373104336.db2.gz LVZRQGGOSVRARA-RKDXNWHRSA-N 0 3 276.362 -1.573 20 0 CAADHN CNC(=O)NC(=O)CCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875331 373104622 /nfs/dbraw/zinc/10/46/22/373104622.db2.gz AZIFHXSOYLVRSN-IUCAKERBSA-N 0 3 283.332 -1.924 20 0 CAADHN CCN1CC[C@H](N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1=O ZINC000594876398 373104678 /nfs/dbraw/zinc/10/46/78/373104678.db2.gz XMCPNHXVPVNKEW-DCAQKATOSA-N 0 3 266.345 -1.149 20 0 CAADHN CNS(=O)(=O)CCCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875146 373105093 /nfs/dbraw/zinc/10/50/93/373105093.db2.gz XXZCBSMHCPHSCI-UWVGGRQHSA-N 0 3 290.389 -1.831 20 0 CAADHN CN(C1CC1)S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875513 373105319 /nfs/dbraw/zinc/10/53/19/373105319.db2.gz MCVWCFHOHVDRFR-NXEZZACHSA-N 0 3 288.373 -1.431 20 0 CAADHN CCN(C)S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875302 373105490 /nfs/dbraw/zinc/10/54/90/373105490.db2.gz LVZRQGGOSVRARA-DTWKUNHWSA-N 0 3 276.362 -1.573 20 0 CAADHN CNC(=O)NC(=O)CCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875329 373105500 /nfs/dbraw/zinc/10/55/00/373105500.db2.gz AZIFHXSOYLVRSN-BDAKNGLRSA-N 0 3 283.332 -1.924 20 0 CAADHN COC[C@H](CN1CCN2C(=O)[C@H](N)C[C@H]2C1)OC ZINC000594876226 373105559 /nfs/dbraw/zinc/10/55/59/373105559.db2.gz KKADFZBEAAYVQU-GARJFASQSA-N 0 3 257.334 -1.108 20 0 CAADHN COC(=O)[C@@H]1OCC[C@@H]1NCCN1CCNC1=O ZINC000595658306 373118179 /nfs/dbraw/zinc/11/81/79/373118179.db2.gz FESVWXHQTCFXOP-DTWKUNHWSA-N 0 3 257.290 -1.068 20 0 CAADHN NCC(F)(F)CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594878980 373106580 /nfs/dbraw/zinc/10/65/80/373106580.db2.gz KRRUXOLTXJOBPL-JGVFFNPUSA-N 0 3 276.287 -1.259 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CC(F)(F)CN3)CCN2C1=O ZINC000594881525 373106690 /nfs/dbraw/zinc/10/66/90/373106690.db2.gz ZFAXFBVKPPPYFT-IWSPIJDZSA-N 0 3 288.298 -1.246 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3CC3)CCN2C1=O ZINC000594878154 373106774 /nfs/dbraw/zinc/10/67/74/373106774.db2.gz QHUNMZPLDKBGTI-UWVGGRQHSA-N 0 3 280.328 -1.717 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CC(F)(F)CN3)CCN2C1=O ZINC000594881524 373106818 /nfs/dbraw/zinc/10/68/18/373106818.db2.gz ZFAXFBVKPPPYFT-HLTSFMKQSA-N 0 3 288.298 -1.246 20 0 CAADHN CN(CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(=O)C1CC1 ZINC000594877237 373106858 /nfs/dbraw/zinc/10/68/58/373106858.db2.gz ZWVMEZDFCLFZEV-QWRGUYRKSA-N 0 3 294.355 -1.375 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NCC3CC3)CCN2C1=O ZINC000594878153 373106899 /nfs/dbraw/zinc/10/68/99/373106899.db2.gz QHUNMZPLDKBGTI-NXEZZACHSA-N 0 3 280.328 -1.717 20 0 CAADHN N[C@@H]1C[C@H]2CN(CC(=O)N3CCOCC3)CCN2C1=O ZINC000594873657 373107007 /nfs/dbraw/zinc/10/70/07/373107007.db2.gz GUIJPBAMOVGFGD-WDEREUQCSA-N 0 3 282.344 -1.911 20 0 CAADHN C[C@@H]1CNC[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)O1 ZINC000594878360 373107062 /nfs/dbraw/zinc/10/70/62/373107062.db2.gz GUGGMOLDGAUVLR-VPOLOUISSA-N 0 3 282.344 -1.866 20 0 CAADHN CCN1C[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1=O ZINC000594877035 373107088 /nfs/dbraw/zinc/10/70/88/373107088.db2.gz NFNXZVXSHHXWSB-MXWKQRLJSA-N 0 3 294.355 -1.375 20 0 CAADHN N[C@H]1C[C@H]2CN(CC(=O)NC3CC3)CCN2C1=O ZINC000594874169 373107312 /nfs/dbraw/zinc/10/73/12/373107312.db2.gz LPQNVJHPIXRKMG-UWVGGRQHSA-N 0 3 252.318 -1.491 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3CC3)CCN2C1=O ZINC000594878156 373107539 /nfs/dbraw/zinc/10/75/39/373107539.db2.gz QHUNMZPLDKBGTI-ZJUUUORDSA-N 0 3 280.328 -1.717 20 0 CAADHN C[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N(C)C ZINC000594880474 373107605 /nfs/dbraw/zinc/10/76/05/373107605.db2.gz NLZHTEKGVKEJOQ-LPEHRKFASA-N 0 3 254.334 -1.293 20 0 CAADHN CC1(OCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CNC1 ZINC000594879703 373107624 /nfs/dbraw/zinc/10/76/24/373107624.db2.gz KKSSHPYHDMAXIW-UWVGGRQHSA-N 0 3 282.344 -1.865 20 0 CAADHN CN(CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(=O)C1CC1 ZINC000594877236 373107883 /nfs/dbraw/zinc/10/78/83/373107883.db2.gz ZWVMEZDFCLFZEV-MNOVXSKESA-N 0 3 294.355 -1.375 20 0 CAADHN N[C@H]1C[C@H]2CN(CC(=O)N3CCOCC3)CCN2C1=O ZINC000594873656 373108131 /nfs/dbraw/zinc/10/81/31/373108131.db2.gz GUIJPBAMOVGFGD-QWRGUYRKSA-N 0 3 282.344 -1.911 20 0 CAADHN C[C@H](NC(=O)[C@H]1CNC(=O)C1)C(=O)NCCN(C)C ZINC000565315708 373118275 /nfs/dbraw/zinc/11/82/75/373118275.db2.gz XTAPNDJUSRYYBT-DTWKUNHWSA-N 0 3 270.333 -1.695 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594874588 373109813 /nfs/dbraw/zinc/10/98/13/373109813.db2.gz GDHCBPXDRVUWIP-YIZRAAEISA-N 0 3 283.332 -1.926 20 0 CAADHN NC1(C(=O)N2CCN(CCS(N)(=O)=O)CC2)CCC1 ZINC000563077729 373109847 /nfs/dbraw/zinc/10/98/47/373109847.db2.gz PJHIZAFEXPVSRZ-UHFFFAOYSA-N 0 3 290.389 -1.700 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCOC3)CCN2C1=O ZINC000595264059 373110086 /nfs/dbraw/zinc/11/00/86/373110086.db2.gz IBRJXKSFRQGRFO-LPEHRKFASA-N 0 3 268.317 -1.271 20 0 CAADHN CO[C@@H](C)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595270107 373110160 /nfs/dbraw/zinc/11/01/60/373110160.db2.gz GZDBSQMIXTUVIV-AEJSXWLSSA-N 0 3 270.333 -1.025 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CCOC3)CCN2C1=O ZINC000595264061 373110170 /nfs/dbraw/zinc/11/01/70/373110170.db2.gz IBRJXKSFRQGRFO-OPRDCNLKSA-N 0 3 268.317 -1.271 20 0 CAADHN CO[C@H](C)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595270115 373110205 /nfs/dbraw/zinc/11/02/05/373110205.db2.gz GZDBSQMIXTUVIV-BBBLOLIVSA-N 0 3 270.333 -1.025 20 0 CAADHN CCN(C)C(=O)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595273451 373113041 /nfs/dbraw/zinc/11/30/41/373113041.db2.gz DILUMEBLVOXEQG-UWVGGRQHSA-N 0 3 297.359 -1.582 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C)C[C@@H]1CN ZINC000592308989 373069793 /nfs/dbraw/zinc/06/97/93/373069793.db2.gz MOYWGNNHLULTEC-LPEHRKFASA-N 0 3 255.318 -1.103 20 0 CAADHN COCCNCC(=O)NCCn1cc(C(=O)OC)nn1 ZINC000592284075 373069889 /nfs/dbraw/zinc/06/98/89/373069889.db2.gz YGIIOFYBDLGJSF-UHFFFAOYSA-N 0 3 285.304 -1.583 20 0 CAADHN COC(=O)[C@@H](O)CNC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000592431530 373071854 /nfs/dbraw/zinc/07/18/54/373071854.db2.gz ZXXJHZPECQDEAB-KXNHARMFSA-N 0 3 290.360 -1.420 20 0 CAADHN CNS(=O)(=O)CCCN1CCCNC[C@H]1C(=O)OC ZINC000592488045 373072400 /nfs/dbraw/zinc/07/24/00/373072400.db2.gz GZALELNKBJIYBF-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CCOC(=O)[C@H](CO)NC[C@@H](O)CN(C)C1CC1 ZINC000592430525 373072682 /nfs/dbraw/zinc/07/26/82/373072682.db2.gz WGXDTKMMNKKUIQ-MNOVXSKESA-N 0 3 260.334 -1.045 20 0 CAADHN COC(=O)[C@@H](O)CNC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000592431532 373072880 /nfs/dbraw/zinc/07/28/80/373072880.db2.gz ZXXJHZPECQDEAB-WYUUTHIRSA-N 0 3 290.360 -1.420 20 0 CAADHN CCNS(=O)(=O)N1CCCNC[C@@H]1C(=O)OC ZINC000592389546 373073120 /nfs/dbraw/zinc/07/31/20/373073120.db2.gz XSSZJPXSDVWECR-MRVPVSSYSA-N 0 3 265.335 -1.322 20 0 CAADHN CN[C@H](C)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000054075724 373159161 /nfs/dbraw/zinc/15/91/61/373159161.db2.gz FZBUOPKLFMMLAR-SSDOTTSWSA-N 0 3 250.324 -2.058 20 0 CAADHN CNCCNS(=O)(=O)N1CCC(C(=O)OC)CC1 ZINC000054244633 373161214 /nfs/dbraw/zinc/16/12/14/373161214.db2.gz BJPWCNAWTIHKMO-UHFFFAOYSA-N 0 3 279.362 -1.075 20 0 CAADHN COC(=O)[C@H]1CN(C)CCN(c2nc(N)nc(N)n2)C1 ZINC000599086637 373166760 /nfs/dbraw/zinc/16/67/60/373166760.db2.gz QWLXYHSLJKWKSR-ZETCQYMHSA-N 0 3 281.320 -1.762 20 0 CAADHN COC(=O)[C@@H]1C[C@H](O)CN(c2nc(N)nc(N)n2)C1 ZINC000599093018 373166893 /nfs/dbraw/zinc/16/68/93/373166893.db2.gz MBIHZQIXNMJOKU-RITPCOANSA-N 0 3 268.277 -1.943 20 0 CAADHN COC(=O)CCN1CCN(c2nc(N)nc(N)n2)[C@H](C)C1 ZINC000599062285 373166923 /nfs/dbraw/zinc/16/69/23/373166923.db2.gz MTVNYFHPYVYVBL-MRVPVSSYSA-N 0 3 295.347 -1.230 20 0 CAADHN COC(=O)C[C@@H]1COCCN1c1nc(N)nc(N)n1 ZINC000599084959 373167187 /nfs/dbraw/zinc/16/71/87/373167187.db2.gz GXHRHAMDZDVSII-ZCFIWIBFSA-N 0 3 268.277 -1.535 20 0 CAADHN COC(=O)[C@@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC000599041350 373167257 /nfs/dbraw/zinc/16/72/57/373167257.db2.gz RRKIJLNNBCKFAA-YFKPBYRVSA-N 0 3 254.250 -1.925 20 0 CAADHN COC(=O)C1(CNc2nc(N)nc(N)n2)CCOCC1 ZINC000599064524 373167725 /nfs/dbraw/zinc/16/77/25/373167725.db2.gz BZXOWHLLRSJGID-UHFFFAOYSA-N 0 3 282.304 -1.500 20 0 CAADHN CCOC(=O)[C@@H](C)NC(=O)[C@H](C)Nc1nc(N)nc(N)n1 ZINC000599073858 373167870 /nfs/dbraw/zinc/16/78/70/373167870.db2.gz OSXDKOZPBDIQAK-NTSWFWBYSA-N 0 3 297.319 -2.013 20 0 CAADHN COC(=O)CSCCNc1nc(N)nc(N)n1 ZINC000599037834 373167897 /nfs/dbraw/zinc/16/78/97/373167897.db2.gz GCAKZXFHVWXHPW-UHFFFAOYSA-N 0 3 258.307 -1.563 20 0 CAADHN CC(C)(CNc1nc(N)nc(N)n1)N1CCS(=O)CC1 ZINC000599047319 373167966 /nfs/dbraw/zinc/16/79/66/373167966.db2.gz TWAPSNUHNASQCN-UHFFFAOYSA-N 0 3 299.404 -1.627 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H]1CNCCO1 ZINC000595893454 373119988 /nfs/dbraw/zinc/11/99/88/373119988.db2.gz RELBCWQGZYHFER-VHSXEESVSA-N 0 3 271.317 -1.662 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C[C@H]1CCC2(CNC2)O1 ZINC000595893105 373120916 /nfs/dbraw/zinc/12/09/16/373120916.db2.gz PFGQZABDYLLOTL-MNOVXSKESA-N 0 3 297.355 -1.129 20 0 CAADHN CC[C@@H](NC)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000595950174 373122037 /nfs/dbraw/zinc/12/20/37/373122037.db2.gz BTDHEZFPZJMNSI-BDAKNGLRSA-N 0 3 271.317 -1.126 20 0 CAADHN CN(C)c1noc(CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000595903282 373122149 /nfs/dbraw/zinc/12/21/49/373122149.db2.gz RIVULXHBQJFJGN-IUCAKERBSA-N 0 3 280.332 -1.121 20 0 CAADHN CC[C@H](NC)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000595950177 373122335 /nfs/dbraw/zinc/12/23/35/373122335.db2.gz BTDHEZFPZJMNSI-DTWKUNHWSA-N 0 3 271.317 -1.126 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000595951310 373122417 /nfs/dbraw/zinc/12/24/17/373122417.db2.gz PLDOBDZDXJGJMK-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN COC(=O)[C@H]1CC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000599079755 373170209 /nfs/dbraw/zinc/17/02/09/373170209.db2.gz NYSAYFUUQNHTDQ-NTSWFWBYSA-N 0 3 252.278 -1.128 20 0 CAADHN CN1C[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)NC1=O ZINC000595969248 373126708 /nfs/dbraw/zinc/12/67/08/373126708.db2.gz CXUOCSRQYWVDLX-HRDYMLBCSA-N 0 3 281.316 -2.220 20 0 CAADHN COC(=O)[C@]1(OC)CCN(c2nc(N)nc(N)n2)C1 ZINC000599138136 373170262 /nfs/dbraw/zinc/17/02/62/373170262.db2.gz HKLWCBSCXZPLTK-JTQLQIEISA-N 0 3 268.277 -1.535 20 0 CAADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C3(O)CNC3)C2)CC1 ZINC000595946392 373126903 /nfs/dbraw/zinc/12/69/03/373126903.db2.gz DVGQEVDPGWPRFD-CYBMUJFWSA-N 0 3 296.415 -1.052 20 0 CAADHN CC(C)N1CCN([C@H]2CCN(C(=O)C3(O)CNC3)C2)CC1 ZINC000595946393 373127080 /nfs/dbraw/zinc/12/70/80/373127080.db2.gz DVGQEVDPGWPRFD-ZDUSSCGKSA-N 0 3 296.415 -1.052 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCOCC3)CCN2C1=O ZINC000595986635 373129269 /nfs/dbraw/zinc/12/92/69/373129269.db2.gz JEASOEITOLAZBT-VHSXEESVSA-N 0 3 296.327 -2.384 20 0 CAADHN CN(CC1CC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595982086 373129296 /nfs/dbraw/zinc/12/92/96/373129296.db2.gz SIDAXDKFGRNESQ-GHMZBOCLSA-N 0 3 294.355 -1.375 20 0 CAADHN COc1c(N)ncnc1N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000596013645 373129334 /nfs/dbraw/zinc/12/93/34/373129334.db2.gz ISPIRHRBCVRTGB-SFYZADRCSA-N 0 3 278.316 -1.184 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCCC3)CCN2C1=O ZINC000595990600 373129957 /nfs/dbraw/zinc/12/99/57/373129957.db2.gz YPSXGJXLBFZOHK-ZJUUUORDSA-N 0 3 280.328 -1.621 20 0 CAADHN CC(C)N(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595987278 373130709 /nfs/dbraw/zinc/13/07/09/373130709.db2.gz LHBGHYMMCCLSOG-UWVGGRQHSA-N 0 3 282.344 -1.376 20 0 CAADHN COc1c(N)ncnc1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000596013643 373130948 /nfs/dbraw/zinc/13/09/48/373130948.db2.gz ISPIRHRBCVRTGB-HTQZYQBOSA-N 0 3 278.316 -1.184 20 0 CAADHN CCN(CCO)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000206855050 373140235 /nfs/dbraw/zinc/14/02/35/373140235.db2.gz QZJFUMSATILLNR-UHFFFAOYSA-N 0 3 295.343 -1.252 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)NCCOCCF)CCN2C1=O ZINC000597436222 373143872 /nfs/dbraw/zinc/14/38/72/373143872.db2.gz FGDFFQUTLHCBRQ-UWVGGRQHSA-N 0 3 288.323 -1.074 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)NCCOCCF)CCN2C1=O ZINC000597436223 373143946 /nfs/dbraw/zinc/14/39/46/373143946.db2.gz FGDFFQUTLHCBRQ-VHSXEESVSA-N 0 3 288.323 -1.074 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)NCCOCCF)CCN2C1=O ZINC000597436221 373144322 /nfs/dbraw/zinc/14/43/22/373144322.db2.gz FGDFFQUTLHCBRQ-NXEZZACHSA-N 0 3 288.323 -1.074 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)NCCOCCF)CCN2C1=O ZINC000597436561 373144363 /nfs/dbraw/zinc/14/43/63/373144363.db2.gz FGDFFQUTLHCBRQ-ZJUUUORDSA-N 0 3 288.323 -1.074 20 0 CAADHN CN(CCCC(=O)NC(N)=O)CC(=O)N1CCN(C)CC1 ZINC000602989471 373210364 /nfs/dbraw/zinc/21/03/64/373210364.db2.gz QBXGSZAOBWSPGW-UHFFFAOYSA-N 0 3 299.375 -1.333 20 0 CAADHN COC[C@](C)(CO)NCCC(=O)N(C)CC(=O)OC ZINC000602933834 373210612 /nfs/dbraw/zinc/21/06/12/373210612.db2.gz YFTQTFVWGQFENR-LBPRGKRZSA-N 0 3 276.333 -1.005 20 0 CAADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CNC(=O)CN ZINC000563094357 373217448 /nfs/dbraw/zinc/21/74/48/373217448.db2.gz GXDHZBNQPNEMSU-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN COC[C@H](N)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000563106087 373218447 /nfs/dbraw/zinc/21/84/47/373218447.db2.gz FOPZDUFITSSWOM-RYUDHWBXSA-N 0 3 298.387 -1.370 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000051713149 373219281 /nfs/dbraw/zinc/21/92/81/373219281.db2.gz IQAMWHHOPDPVGY-ZJUUUORDSA-N 0 3 270.333 -1.024 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000563139702 373222577 /nfs/dbraw/zinc/22/25/77/373222577.db2.gz BRFRDQKMJJDXFO-SYLRKERUSA-N 0 3 276.377 -1.212 20 0 CAADHN Cc1nc(S(=O)(=O)N2CCN(C)C[C@H]2CN)cn1C ZINC000250942542 373176345 /nfs/dbraw/zinc/17/63/45/373176345.db2.gz WQMYZHLZJRHVCC-SNVBAGLBSA-N 0 3 287.389 -1.008 20 0 CAADHN CCOC(=O)C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000599424796 373176534 /nfs/dbraw/zinc/17/65/34/373176534.db2.gz VNKFHZUHQCFJDM-VWYCJHECSA-N 0 3 260.334 -1.093 20 0 CAADHN Cn1nccc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000252878060 373181944 /nfs/dbraw/zinc/18/19/44/373181944.db2.gz YCQVOZOKULQJDC-SECBINFHSA-N 0 3 273.362 -1.317 20 0 CAADHN COC(=O)[C@@]1(OC)CCN(CCC(=O)NC(N)=O)C1 ZINC000599564722 373182092 /nfs/dbraw/zinc/18/20/92/373182092.db2.gz VOIZVYONLHRRPX-LLVKDONJSA-N 0 3 273.289 -1.165 20 0 CAADHN CC(C)(C)[C@H](N)C(=O)NCC(=O)N1CCNCC1 ZINC000563146549 373224522 /nfs/dbraw/zinc/22/45/22/373224522.db2.gz OCCDDKDFDDCDFD-SNVBAGLBSA-N 0 3 256.350 -1.092 20 0 CAADHN COC(=O)c1cnn(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000599955195 373186379 /nfs/dbraw/zinc/18/63/79/373186379.db2.gz HOLRVEBMXCQHKT-QWRGUYRKSA-N 0 3 296.327 -1.197 20 0 CAADHN CN1CCC[C@H](N2CCN(C(=O)CNC(N)=O)CC2)C1 ZINC000604604940 373224800 /nfs/dbraw/zinc/22/48/00/373224800.db2.gz HZKRIFKFTPGUJA-NSHDSACASA-N 0 3 283.376 -1.107 20 0 CAADHN COC(=O)c1cnn(CC(=O)N[C@@H](CO)CN(C)C)c1 ZINC000599940984 373187253 /nfs/dbraw/zinc/18/72/53/373187253.db2.gz TVALDIZXBGBLSP-SNVBAGLBSA-N 0 3 284.316 -1.292 20 0 CAADHN CN1CCN(C(=O)CCCN2C(=O)CNC2=O)[C@@H](CN)C1 ZINC000563152520 373225003 /nfs/dbraw/zinc/22/50/03/373225003.db2.gz CHPXGEDSJRQOOX-JTQLQIEISA-N 0 3 297.359 -1.580 20 0 CAADHN COC(=O)c1cnn(CC(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000602435737 373197264 /nfs/dbraw/zinc/19/72/64/373197264.db2.gz SYJFBNSZUVYIQK-NSHDSACASA-N 0 3 295.343 -1.229 20 0 CAADHN CN1CC[C@](C)(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1=O ZINC000602523825 373199373 /nfs/dbraw/zinc/19/93/73/373199373.db2.gz IMRCMJUGWZVOGC-BHDSKKPTSA-N 0 3 294.355 -1.375 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)O1 ZINC000602524568 373199617 /nfs/dbraw/zinc/19/96/17/373199617.db2.gz LUQALKULZSKRNM-DDHJBXDOSA-N 0 3 296.371 -1.524 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C3)CCN2C1=O ZINC000602521281 373200027 /nfs/dbraw/zinc/20/00/27/373200027.db2.gz ALLYHJGDKZVOKL-IMSYWVGJSA-N 0 3 253.302 -1.472 20 0 CAADHN CCN[C@H](C)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000602497770 373200146 /nfs/dbraw/zinc/20/01/46/373200146.db2.gz WVSBPGLVGSHABT-RKDXNWHRSA-N 0 3 271.317 -1.126 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CN1CCNCC1 ZINC000602497479 373200253 /nfs/dbraw/zinc/20/02/53/373200253.db2.gz VEHFBSMAIHLTPJ-SNVBAGLBSA-N 0 3 298.343 -2.218 20 0 CAADHN CCN[C@@H](C)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000602497767 373200300 /nfs/dbraw/zinc/20/03/00/373200300.db2.gz WVSBPGLVGSHABT-DTWKUNHWSA-N 0 3 271.317 -1.126 20 0 CAADHN CN1CC[C@](C)(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1=O ZINC000602523826 373201121 /nfs/dbraw/zinc/20/11/21/373201121.db2.gz IMRCMJUGWZVOGC-RBZYPMLTSA-N 0 3 294.355 -1.375 20 0 CAADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC1CC1 ZINC000602586612 373202846 /nfs/dbraw/zinc/20/28/46/373202846.db2.gz CJSTUJXXWQWGGK-YUMQZZPRSA-N 0 3 271.317 -1.079 20 0 CAADHN COC(=O)C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000602507906 373202924 /nfs/dbraw/zinc/20/29/24/373202924.db2.gz LVVAXQLMVOJRPE-ATZCPNFKSA-N 0 3 272.301 -1.107 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)CN2CCNCC2)C[C@@H](C)O1 ZINC000602549168 373203018 /nfs/dbraw/zinc/20/30/18/373203018.db2.gz SCLDLDDCJFRJQL-MNOVXSKESA-N 0 3 285.344 -1.320 20 0 CAADHN C[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CNCCO1 ZINC000602531883 373203123 /nfs/dbraw/zinc/20/31/23/373203123.db2.gz XRRXCZGNTHVNPR-GBIKHYSHSA-N 0 3 282.344 -1.865 20 0 CAADHN CN[C@@H](C)C(=O)NCCC(=O)NCCC(=O)OC ZINC000602556559 373203381 /nfs/dbraw/zinc/20/33/81/373203381.db2.gz RVUPVKGXIZMCDD-QMMMGPOBSA-N 0 3 259.306 -1.220 20 0 CAADHN C[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CNCCO1 ZINC000602531891 373203508 /nfs/dbraw/zinc/20/35/08/373203508.db2.gz XRRXCZGNTHVNPR-GIPNMCIBSA-N 0 3 282.344 -1.865 20 0 CAADHN COC[C@@H](NC(=O)CN1CCNCC1)C(=O)OC ZINC000602504178 373203521 /nfs/dbraw/zinc/20/35/21/373203521.db2.gz LJAKYWWGGDJBLW-SECBINFHSA-N 0 3 259.306 -1.804 20 0 CAADHN C[C@]1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CNCCO1 ZINC000602531893 373203699 /nfs/dbraw/zinc/20/36/99/373203699.db2.gz XRRXCZGNTHVNPR-OUJBWJOFSA-N 0 3 282.344 -1.865 20 0 CAADHN COC[C@H](NC(=O)CN1CCNCC1)C(=O)OC ZINC000602504179 373204014 /nfs/dbraw/zinc/20/40/14/373204014.db2.gz LJAKYWWGGDJBLW-VIFPVBQESA-N 0 3 259.306 -1.804 20 0 CAADHN COC(=O)CCNC(=O)CCNC(=O)CNC1CC1 ZINC000602554124 373204067 /nfs/dbraw/zinc/20/40/67/373204067.db2.gz FJMAGLMXJNRQAQ-UHFFFAOYSA-N 0 3 271.317 -1.076 20 0 CAADHN COCCN1CC[C@H](NCC(=O)NCC(=O)OC)C1 ZINC000602745903 373206537 /nfs/dbraw/zinc/20/65/37/373206537.db2.gz CCJLITNYXBZLFU-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](CNc2nc(N)nc(N)n2)O1 ZINC000624035885 373208613 /nfs/dbraw/zinc/20/86/13/373208613.db2.gz SNYFCSBAUICIMP-UHNVWZDZSA-N 0 3 253.266 -2.437 20 0 CAADHN NC(=O)[C@H]1CC[C@H](CNc2nc(N)nc(N)n2)O1 ZINC000624035884 373208918 /nfs/dbraw/zinc/20/89/18/373208918.db2.gz SNYFCSBAUICIMP-RFZPGFLSSA-N 0 3 253.266 -2.437 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CCN(C)C[C@@H]1CO ZINC000602904806 373209197 /nfs/dbraw/zinc/20/91/97/373209197.db2.gz OEROGQYBNPTBMH-LLVKDONJSA-N 0 3 287.360 -1.384 20 0 CAADHN CCS(=O)(=O)NCCCN(CCO)CCCO ZINC000337980228 373272123 /nfs/dbraw/zinc/27/21/23/373272123.db2.gz MFDWSQORHWXNCL-UHFFFAOYSA-N 0 3 268.379 -1.008 20 0 CAADHN CC1(C)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000570986177 373275083 /nfs/dbraw/zinc/27/50/83/373275083.db2.gz NJBDEAMHWSGUPW-GUBZILKMSA-N 0 3 294.355 -1.329 20 0 CAADHN CN1CCN(C(=O)CCN2C[C@H](O)[C@@H](O)C2)CC1 ZINC000338341832 373277586 /nfs/dbraw/zinc/27/75/86/373277586.db2.gz FTXZKEHXASXOFO-QWRGUYRKSA-N 0 3 257.334 -1.812 20 0 CAADHN C[C@@H](CNC(=O)N1CC(NS(C)(=O)=O)C1)N(C)C ZINC000637195585 373236884 /nfs/dbraw/zinc/23/68/84/373236884.db2.gz DPNZTAFWLYDRBX-QMMMGPOBSA-N 0 3 278.378 -1.121 20 0 CAADHN CN(C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC000083672625 373238233 /nfs/dbraw/zinc/23/82/33/373238233.db2.gz SGMRCGWRKAIRGX-UHFFFAOYSA-N 0 3 251.352 -1.008 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC000069577709 373241779 /nfs/dbraw/zinc/24/17/79/373241779.db2.gz DJPHKZWZUZQURT-JTQLQIEISA-N 0 3 268.321 -1.100 20 0 CAADHN CS(=O)(=O)N1CCCN(c2nc(N)nc(N)n2)CC1 ZINC000623832095 373244084 /nfs/dbraw/zinc/24/40/84/373244084.db2.gz KMBINWCCIAAOBN-UHFFFAOYSA-N 0 3 287.349 -1.832 20 0 CAADHN CNS(=O)(=O)CCCN(CCO)C[C@@H](C)O ZINC000336645304 373244361 /nfs/dbraw/zinc/24/43/61/373244361.db2.gz CVWZLABUVSJFRI-SECBINFHSA-N 0 3 254.352 -1.399 20 0 CAADHN CN(CCCN1C(=O)CNC1=O)CC(C)(CO)CO ZINC000336798558 373246041 /nfs/dbraw/zinc/24/60/41/373246041.db2.gz FLHXLTLDCVBZRV-UHFFFAOYSA-N 0 3 273.333 -1.149 20 0 CAADHN Nc1nc(N)nc(NC[C@@H](CO)[C@@H]2CCOC2)n1 ZINC000624179263 373246646 /nfs/dbraw/zinc/24/66/46/373246646.db2.gz RPZNNFARFPLKRK-RQJHMYQMSA-N 0 3 254.294 -1.824 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]CCCN2CC[NH2+]CC2)c1 ZINC000034466688 373247936 /nfs/dbraw/zinc/24/79/36/373247936.db2.gz QUDUBISUUVSQMM-UHFFFAOYSA-N 0 3 287.389 -1.006 20 0 CAADHN CN(CCN1CCOCC1)C[C@@H](O)CN1CCOCC1 ZINC000336825131 373250067 /nfs/dbraw/zinc/25/00/67/373250067.db2.gz XFNNVJOBDXRSEU-CQSZACIVSA-N 0 3 287.404 -1.057 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000637439650 373256976 /nfs/dbraw/zinc/25/69/76/373256976.db2.gz BDKSOLHIZZHKMW-RYUDHWBXSA-N 0 3 286.376 -1.317 20 0 CAADHN CCN(CCO)CCNC(=O)NC[C@H]1COCCN1C ZINC000637443147 373258905 /nfs/dbraw/zinc/25/89/05/373258905.db2.gz KOTCQCYZQPGELW-LBPRGKRZSA-N 0 3 288.392 -1.070 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000337465003 373259481 /nfs/dbraw/zinc/25/94/81/373259481.db2.gz RMNMPVNMAXCQRD-WPRPVWTQSA-N 0 3 281.378 -1.647 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)NC[C@@H]1COCCN1C ZINC000637443276 373259522 /nfs/dbraw/zinc/25/95/22/373259522.db2.gz LPRWFVJFBHNEMX-YPMHNXCESA-N 0 3 288.392 -1.071 20 0 CAADHN COCCN(C)CCCNC(=O)NCCS(N)(=O)=O ZINC000337531496 373260312 /nfs/dbraw/zinc/26/03/12/373260312.db2.gz JOWJZPVJTFKRKI-UHFFFAOYSA-N 0 3 296.393 -1.458 20 0 CAADHN COCCN(C)CCN1C[C@H](NC(=O)COC)CC1=O ZINC000354141918 373264848 /nfs/dbraw/zinc/26/48/48/373264848.db2.gz NVFFOQUECXTVOY-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN COCCN(C)CCN1C[C@@H](NC(=O)COC)CC1=O ZINC000354141919 373265314 /nfs/dbraw/zinc/26/53/14/373265314.db2.gz NVFFOQUECXTVOY-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CN(CCNS(=O)(=O)C[C@H]1CNCCO1)C1CC1 ZINC000310979290 373268325 /nfs/dbraw/zinc/26/83/25/373268325.db2.gz STISEEZAPUTKLM-LLVKDONJSA-N 0 3 277.390 -1.012 20 0 CAADHN CN(CCNS(=O)(=O)C[C@@H]1CNCCO1)C1CC1 ZINC000310979292 373269091 /nfs/dbraw/zinc/26/90/91/373269091.db2.gz STISEEZAPUTKLM-NSHDSACASA-N 0 3 277.390 -1.012 20 0 CAADHN CN(CCCNC(=O)CN1CCNCC1)S(C)(=O)=O ZINC000337729580 373269565 /nfs/dbraw/zinc/26/95/65/373269565.db2.gz NIGILNPJHHTVIB-UHFFFAOYSA-N 0 3 292.405 -1.711 20 0 CAADHN COC[C@@H](O)CNC(=O)NCCOCCN(C)C ZINC000338744535 373279504 /nfs/dbraw/zinc/27/95/04/373279504.db2.gz LCTHLBXUOJTMRZ-JTQLQIEISA-N 0 3 263.338 -1.129 20 0 CAADHN CNS(=O)(=O)N1CCN(C(=O)CN(C)C(C)C)CC1 ZINC000339187181 373288984 /nfs/dbraw/zinc/28/89/84/373288984.db2.gz YSZJTKNYBWANFG-UHFFFAOYSA-N 0 3 292.405 -1.065 20 0 CAADHN C[C@@H](C[NH3+])N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000237424882 373289301 /nfs/dbraw/zinc/28/93/01/373289301.db2.gz BDGOOLPLVFEDQY-QMMMGPOBSA-N 0 3 289.361 -1.496 20 0 CAADHN CNC(=O)CCNC(=O)NCCN(C)CCOC ZINC000339322486 373289935 /nfs/dbraw/zinc/28/99/35/373289935.db2.gz XNLSCLSPMDETTD-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000339632350 373293367 /nfs/dbraw/zinc/29/33/67/373293367.db2.gz CPRGFMHFVZCWIQ-SECBINFHSA-N 0 3 282.344 -1.456 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(C)CC2)CC(=O)N1C ZINC000339630892 373294180 /nfs/dbraw/zinc/29/41/80/373294180.db2.gz JFRAMNVVSNJBIJ-SNVBAGLBSA-N 0 3 296.371 -1.114 20 0 CAADHN COCC[C@H](CO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000373955236 373294350 /nfs/dbraw/zinc/29/43/50/373294350.db2.gz BPTAWWIOKXIZHM-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NC2CCN(C)CC2)C[C@H](CO)O1 ZINC000339633572 373296246 /nfs/dbraw/zinc/29/62/46/373296246.db2.gz RFAPYVLBNLSJLV-CMPLNLGQSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NC2CCN(C)CC2)C[C@@H](CO)O1 ZINC000339633573 373296552 /nfs/dbraw/zinc/29/65/52/373296552.db2.gz RFAPYVLBNLSJLV-JQWIXIFHSA-N 0 3 299.371 -1.195 20 0 CAADHN CCN1CCC(NC(=O)C(=O)N2CCNC(=O)[C@H]2C)CC1 ZINC000339666782 373296833 /nfs/dbraw/zinc/29/68/33/373296833.db2.gz AEWVMPVWPMAMPI-SNVBAGLBSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN1CCC(NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)CC1 ZINC000339666781 373297158 /nfs/dbraw/zinc/29/71/58/373297158.db2.gz AEWVMPVWPMAMPI-JTQLQIEISA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC(=O)N1 ZINC000410917185 373299895 /nfs/dbraw/zinc/29/98/95/373299895.db2.gz UIOGALZXCPQIHN-SNVBAGLBSA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@@H](CN1CCN(C)CC1)Nc1nc(N)nc(N)n1 ZINC000623953250 373301531 /nfs/dbraw/zinc/30/15/31/373301531.db2.gz XSRFYGNBGZCYMM-QMMMGPOBSA-N 0 3 266.353 -1.834 20 0 CAADHN COCCN1CC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000623955027 373302395 /nfs/dbraw/zinc/30/23/95/373302395.db2.gz JPHHNYNKMQOGJJ-SSDOTTSWSA-N 0 3 253.310 -1.749 20 0 CAADHN CN(C)CCOCCNC(=O)CN1CC(=O)N(C)C1=O ZINC000626374677 373309014 /nfs/dbraw/zinc/30/90/14/373309014.db2.gz GFNUTTZJRQQINU-UHFFFAOYSA-N 0 3 286.332 -1.425 20 0 CAADHN C[C@@H](CN)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000262523650 373311708 /nfs/dbraw/zinc/31/17/08/373311708.db2.gz JOHGQOIYFMGVLY-QMMMGPOBSA-N 0 3 284.341 -1.053 20 0 CAADHN CNC(=O)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000266835694 373319206 /nfs/dbraw/zinc/31/92/06/373319206.db2.gz NROQHNGDCHNSPS-SECBINFHSA-N 0 3 270.333 -1.741 20 0 CAADHN CN(CCO)CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000267865102 373322484 /nfs/dbraw/zinc/32/24/84/373322484.db2.gz BHJOJEXXHUONKM-UHFFFAOYSA-N 0 3 295.343 -1.252 20 0 CAADHN CN(C)C[C@@H]1CCCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000267540302 373323519 /nfs/dbraw/zinc/32/35/19/373323519.db2.gz VFYKRHPFFLUZHW-VIFPVBQESA-N 0 3 296.327 -1.040 20 0 CAADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)c1nnc[nH]1 ZINC000269559271 373330573 /nfs/dbraw/zinc/33/05/73/373330573.db2.gz QKDMNNXPEAFRNL-QMMMGPOBSA-N 0 3 266.305 -1.126 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638055167 373374661 /nfs/dbraw/zinc/37/46/61/373374661.db2.gz GFHBLMTUMIXRFU-CMPLNLGQSA-N 0 3 284.360 -1.665 20 0 CAADHN CCN[C@@H](C)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000638081860 373379212 /nfs/dbraw/zinc/37/92/12/373379212.db2.gz DHNPXJMNVATGOW-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)[C@@]2(C)CNCCO2)CC1 ZINC000638065490 373375829 /nfs/dbraw/zinc/37/58/29/373375829.db2.gz VMWPTNLQYJQRSZ-CQSZACIVSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CC=C(CNC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000271896971 373338496 /nfs/dbraw/zinc/33/84/96/373338496.db2.gz PGGBFPXWTWCFEM-UHFFFAOYSA-N 0 3 292.339 -1.075 20 0 CAADHN CN1CC=C(CNC(=O)NCCN2CCNC(=O)C2)CC1 ZINC000273021098 373343144 /nfs/dbraw/zinc/34/31/44/373343144.db2.gz TYTHRBNKBJZCHF-UHFFFAOYSA-N 0 3 295.387 -1.021 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000627407287 373344522 /nfs/dbraw/zinc/34/45/22/373344522.db2.gz MVJJDJGVMGIRCL-WCBMZHEXSA-N 0 3 253.302 -1.242 20 0 CAADHN CNC(=O)NC[C@H]1CN(C(=O)C(=O)NC2CNC2)CCO1 ZINC000627407228 373344551 /nfs/dbraw/zinc/34/45/51/373344551.db2.gz KYVWVZLOQGWTMV-VIFPVBQESA-N 0 3 299.331 -2.769 20 0 CAADHN CO[C@H](CN)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000353176694 373345718 /nfs/dbraw/zinc/34/57/18/373345718.db2.gz YJDUNZRQHZSPSR-SNVBAGLBSA-N 0 3 297.359 -1.139 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000627407288 373345992 /nfs/dbraw/zinc/34/59/92/373345992.db2.gz MVJJDJGVMGIRCL-WPRPVWTQSA-N 0 3 253.302 -1.242 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC000340044887 373346134 /nfs/dbraw/zinc/34/61/34/373346134.db2.gz DFVQZIYLTIWAIJ-NSHDSACASA-N 0 3 297.359 -1.191 20 0 CAADHN CCN(CCO)CCNC(=O)Cn1cc(C(=O)OC)nn1 ZINC000274553276 373348828 /nfs/dbraw/zinc/34/88/28/373348828.db2.gz NGQMCCTZFJDVAB-UHFFFAOYSA-N 0 3 299.331 -1.505 20 0 CAADHN Cc1[nH]ncc1CNC(=O)NCCN1CCNC(=O)C1 ZINC000274524904 373349037 /nfs/dbraw/zinc/34/90/37/373349037.db2.gz PPBVJSHXAUQEGI-UHFFFAOYSA-N 0 3 280.332 -1.051 20 0 CAADHN C[C@@]1(C(=O)NCC(=O)N2CCNCC2)CNCCO1 ZINC000637813140 373350299 /nfs/dbraw/zinc/35/02/99/373350299.db2.gz KTTRBMUBRPKJDB-LBPRGKRZSA-N 0 3 270.333 -2.087 20 0 CAADHN COC[C@]1(C(=O)NCC(=O)N2CCNCC2)CCCCN1 ZINC000637813267 373350369 /nfs/dbraw/zinc/35/03/69/373350369.db2.gz OIGMZAZTLHGBQF-AWEZNQCLSA-N 0 3 298.387 -1.307 20 0 CAADHN C[C@H](C(=O)N1CCCNCC1)N1CCNCC1=O ZINC000637801125 373352005 /nfs/dbraw/zinc/35/20/05/373352005.db2.gz IMODHRQVKIBMJG-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN CCN[C@H](C)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000637811013 373353585 /nfs/dbraw/zinc/35/35/85/373353585.db2.gz PVPHBSJQWIQNQH-SNVBAGLBSA-N 0 3 256.350 -1.125 20 0 CAADHN CO[C@@H]1CN[C@@](C)(C(=O)NCC(=O)N2CCNCC2)C1 ZINC000637811072 373354887 /nfs/dbraw/zinc/35/48/87/373354887.db2.gz QBJFZQBURPSUEU-GXFFZTMASA-N 0 3 284.360 -1.699 20 0 CAADHN C[C@H](C(=O)N(C)CC(=O)N1CCNCC1)N(C)C ZINC000637811213 373355075 /nfs/dbraw/zinc/35/50/75/373355075.db2.gz RSMONUKHUUIFIW-SNVBAGLBSA-N 0 3 256.350 -1.173 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000637811523 373355135 /nfs/dbraw/zinc/35/51/35/373355135.db2.gz VLUCLZVIALTWNT-GXSJLCMTSA-N 0 3 270.333 -2.007 20 0 CAADHN C[C@@H](C(=O)N1CCNC[C@H]1C)N1CCNCC1=O ZINC000637819844 373355273 /nfs/dbraw/zinc/35/52/73/373355273.db2.gz YKHCYTBBIVUMMQ-ZJUUUORDSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@@H](C(=O)N1CCN[C@H](C)C1)N1CCNCC1=O ZINC000637842794 373355943 /nfs/dbraw/zinc/35/59/43/373355943.db2.gz RYYLNZIXUJUJMW-ZJUUUORDSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@@H](N)[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 ZINC000637866817 373356119 /nfs/dbraw/zinc/35/61/19/373356119.db2.gz PYMOLHRIKHXNCS-APPZFPTMSA-N 0 3 262.331 -1.394 20 0 CAADHN C[C@H](C(=O)N1CCN(C)C[C@H]1CN)N1CCNCC1=O ZINC000637865052 373356209 /nfs/dbraw/zinc/35/62/09/373356209.db2.gz ZMYNPDMGBJDTTI-GHMZBOCLSA-N 0 3 283.376 -2.092 20 0 CAADHN C[C@H](C(=O)N1CCN(C)C[C@@H]1CN)N1CCNCC1=O ZINC000637865053 373356347 /nfs/dbraw/zinc/35/63/47/373356347.db2.gz ZMYNPDMGBJDTTI-MNOVXSKESA-N 0 3 283.376 -2.092 20 0 CAADHN CO[C@@H](CN)C(=O)NCCNC(=O)c1cccnc1 ZINC000353430071 373356385 /nfs/dbraw/zinc/35/63/85/373356385.db2.gz QMOAKFYQFXCACJ-JTQLQIEISA-N 0 3 266.301 -1.099 20 0 CAADHN CN1CCN(C(=O)C2CS(=O)(=O)C2)[C@H](CN)C1 ZINC000637866177 373356689 /nfs/dbraw/zinc/35/66/89/373356689.db2.gz JHYXLPCXVDZUOT-SECBINFHSA-N 0 3 261.347 -1.868 20 0 CAADHN CN1CCN(C(=O)c2cc(=O)[n-]cn2)[C@H](C[NH3+])C1 ZINC000637863604 373356874 /nfs/dbraw/zinc/35/68/74/373356874.db2.gz CXCDBKPKYQOEMD-MRVPVSSYSA-N 0 3 251.290 -1.103 20 0 CAADHN CN1CCN(C(=O)c2cc(=O)[n-]cn2)[C@@H](C[NH3+])C1 ZINC000637863605 373357481 /nfs/dbraw/zinc/35/74/81/373357481.db2.gz CXCDBKPKYQOEMD-QMMMGPOBSA-N 0 3 251.290 -1.103 20 0 CAADHN CN1C(=O)CN(CC(=O)N2CCN(C)C[C@@H]2CN)C1=O ZINC000637864965 373358035 /nfs/dbraw/zinc/35/80/35/373358035.db2.gz YPOXCDSQPBZGMS-VIFPVBQESA-N 0 3 283.332 -2.018 20 0 CAADHN CN1CCN(C(=O)C2CS(=O)(=O)C2)[C@@H](CN)C1 ZINC000637866178 373358090 /nfs/dbraw/zinc/35/80/90/373358090.db2.gz JHYXLPCXVDZUOT-VIFPVBQESA-N 0 3 261.347 -1.868 20 0 CAADHN CN(C)C(=O)N1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000637917838 373359191 /nfs/dbraw/zinc/35/91/91/373359191.db2.gz OYFKNMRPBZEMIS-VHSXEESVSA-N 0 3 270.333 -1.072 20 0 CAADHN COC[C@@]1(C(=O)NCCNS(C)(=O)=O)CCCCN1 ZINC000637903806 373360704 /nfs/dbraw/zinc/36/07/04/373360704.db2.gz DHVJXCCJDCLSMX-LLVKDONJSA-N 0 3 293.389 -1.190 20 0 CAADHN COCCNC(=O)CNC(=O)[C@@]1(C)C[C@@H](OC)CN1 ZINC000637896820 373360973 /nfs/dbraw/zinc/36/09/73/373360973.db2.gz PXSLRURQSCHULJ-BXKDBHETSA-N 0 3 273.333 -1.368 20 0 CAADHN CCN[C@@H](C)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000637932890 373362367 /nfs/dbraw/zinc/36/23/67/373362367.db2.gz BBSGUDHMJNYXPH-JTQLQIEISA-N 0 3 296.371 -1.066 20 0 CAADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000637999795 373365964 /nfs/dbraw/zinc/36/59/64/373365964.db2.gz JLMZHDWUQAVMPQ-KOLCDFICSA-N 0 3 253.302 -1.064 20 0 CAADHN COC[C@]1(C(=O)N2CCO[C@@H](C(N)=O)C2)CCCCN1 ZINC000637971035 373366074 /nfs/dbraw/zinc/36/60/74/373366074.db2.gz UCTBXAAFGUPOSI-MFKMUULPSA-N 0 3 285.344 -1.142 20 0 CAADHN NC(=O)NC[C@@H]1CCCCN1C(=O)CN1CCNCC1 ZINC000637971940 373366083 /nfs/dbraw/zinc/36/60/83/373366083.db2.gz VOOIJSAMHHFJBP-NSHDSACASA-N 0 3 283.376 -1.059 20 0 CAADHN CCN[C@@H](C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC ZINC000637982026 373366168 /nfs/dbraw/zinc/36/61/68/373366168.db2.gz ONFZWLDACZHREG-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CN1CCNCC1 ZINC000638010002 373367151 /nfs/dbraw/zinc/36/71/51/373367151.db2.gz BQFBSOMJGDDTAI-MNOVXSKESA-N 0 3 289.401 -1.074 20 0 CAADHN C[C@@H]1[C@H](C)N(C(=O)CN2CCNCC2)CCS1(=O)=O ZINC000638010005 373367744 /nfs/dbraw/zinc/36/77/44/373367744.db2.gz BQFBSOMJGDDTAI-WDEREUQCSA-N 0 3 289.401 -1.074 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCNCC2)CCS1(=O)=O ZINC000638008747 373368018 /nfs/dbraw/zinc/36/80/18/373368018.db2.gz XBYFFKAODFVWSF-JTQLQIEISA-N 0 3 275.374 -1.463 20 0 CAADHN CCS(=O)(=O)C[C@@H](C)NC(=O)CN1CCNCC1 ZINC000638004138 373368465 /nfs/dbraw/zinc/36/84/65/373368465.db2.gz YYHYVAJJJRXYHJ-SNVBAGLBSA-N 0 3 277.390 -1.169 20 0 CAADHN COC[C@@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000638007626 373368641 /nfs/dbraw/zinc/36/86/41/373368641.db2.gz SAUQSXMHNXANTA-NSHDSACASA-N 0 3 257.334 -1.235 20 0 CAADHN CN1CCC[C@@H](NC(=O)CN2CCNCC2)C1=O ZINC000638004668 373368886 /nfs/dbraw/zinc/36/88/86/373368886.db2.gz DFJQUPAYKPNULW-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN Cn1cc(N2CCN(C(=O)[C@@H]3OCC[C@@H]3N)CC2=O)cn1 ZINC000638009326 373368904 /nfs/dbraw/zinc/36/89/04/373368904.db2.gz KWMZNKCQXCKCPC-CMPLNLGQSA-N 0 3 293.327 -1.289 20 0 CAADHN COC[C@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000638007622 373368910 /nfs/dbraw/zinc/36/89/10/373368910.db2.gz SAUQSXMHNXANTA-LLVKDONJSA-N 0 3 257.334 -1.235 20 0 CAADHN NC(=O)CC1(NC(=O)CN2CCNCC2)CCC1 ZINC000638042391 373370375 /nfs/dbraw/zinc/37/03/75/373370375.db2.gz RFDDOJZCSLIHQZ-UHFFFAOYSA-N 0 3 254.334 -1.194 20 0 CAADHN Nc1nc(N)nc(NCCC(=O)N2CCCCC2)n1 ZINC000623871513 373370919 /nfs/dbraw/zinc/37/09/19/373370919.db2.gz GQCUCZGREYELNY-UHFFFAOYSA-N 0 3 265.321 -1.067 20 0 CAADHN CC(C)(C)[C@H](NC(=O)CN1CCNCC1)C(N)=O ZINC000638026632 373371767 /nfs/dbraw/zinc/37/17/67/373371767.db2.gz NGHZXUPAFXOELM-SNVBAGLBSA-N 0 3 256.350 -1.092 20 0 CAADHN C[C@@H](CO)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000282933716 373379086 /nfs/dbraw/zinc/37/90/86/373379086.db2.gz ZEUZNJUTGOLDSX-VIFPVBQESA-N 0 3 295.343 -1.254 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@H](C(N)=O)O1 ZINC000638503075 373430314 /nfs/dbraw/zinc/43/03/14/373430314.db2.gz ZTDYUKUYKLDXHT-PBXRRBTRSA-N 0 3 269.223 -1.023 20 0 CAADHN CN(CCN1CCOCC1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000638277389 373405724 /nfs/dbraw/zinc/40/57/24/373405724.db2.gz YPKCSFYZALQFFT-WDEREUQCSA-N 0 3 257.334 -1.107 20 0 CAADHN CCN[C@H](C)C(=O)N1CCN(CC(=O)NC)CC1 ZINC000638274424 373406281 /nfs/dbraw/zinc/40/62/81/373406281.db2.gz PJIDBNUQJHOFGN-SNVBAGLBSA-N 0 3 256.350 -1.125 20 0 CAADHN CO[C@H]1CN[C@@](C)(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000638279632 373406415 /nfs/dbraw/zinc/40/64/15/373406415.db2.gz UKPNDEHWAVRDCO-ZWNOBZJWSA-N 0 3 285.344 -1.272 20 0 CAADHN CO[C@@]1(CNCCNS(C)(=O)=O)CCOC1 ZINC000638278218 373407019 /nfs/dbraw/zinc/40/70/19/373407019.db2.gz YPTKOZAWDFYCEX-SECBINFHSA-N 0 3 252.336 -1.069 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2C[C@@H](O)[C@H](O)C2)n1 ZINC000287609965 373408984 /nfs/dbraw/zinc/40/89/84/373408984.db2.gz FZSMPJPNNOUHEJ-RKDXNWHRSA-N 0 3 298.347 -1.362 20 0 CAADHN N[C@@H]1CCO[C@@H]1C(=O)NCCN1CCCOCC1 ZINC000638295949 373409205 /nfs/dbraw/zinc/40/92/05/373409205.db2.gz ZZPYARALDWBINM-MNOVXSKESA-N 0 3 257.334 -1.059 20 0 CAADHN O=C(CN1CCNCC1)NCCN1CCCOCC1 ZINC000638293498 373409292 /nfs/dbraw/zinc/40/92/92/373409292.db2.gz KRUWXBYTZXNDHO-UHFFFAOYSA-N 0 3 270.377 -1.270 20 0 CAADHN CNC(=O)CCCN(C)C(=O)CN1CCNCC1 ZINC000638286395 373409643 /nfs/dbraw/zinc/40/96/43/373409643.db2.gz NUBZPDGPULERGW-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000287343834 373409975 /nfs/dbraw/zinc/40/99/75/373409975.db2.gz YZNNFCYSDLNYAT-ZETCQYMHSA-N 0 3 270.289 -1.527 20 0 CAADHN COCCN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1=O ZINC000638314567 373411384 /nfs/dbraw/zinc/41/13/84/373411384.db2.gz JWSXHTLLAWNDKE-GXSJLCMTSA-N 0 3 271.317 -1.580 20 0 CAADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000340259771 373411444 /nfs/dbraw/zinc/41/14/44/373411444.db2.gz LDOKOUFSYROHKX-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CC[C@@H](N)C(=O)N1CCO[C@H](CNC(=O)NC)C1 ZINC000638502583 373430571 /nfs/dbraw/zinc/43/05/71/373430571.db2.gz WNTGJQKLNLCKAW-RKDXNWHRSA-N 0 3 258.322 -1.120 20 0 CAADHN CCN(CCN)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC000638516560 373430712 /nfs/dbraw/zinc/43/07/12/373430712.db2.gz DUSQRCKGLREZMI-JTQLQIEISA-N 0 3 277.390 -1.088 20 0 CAADHN C[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CCN1S(C)(=O)=O ZINC000638314722 373415320 /nfs/dbraw/zinc/41/53/20/373415320.db2.gz FETOSXAIDHWQFX-LPEHRKFASA-N 0 3 291.373 -1.405 20 0 CAADHN COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000288761345 373417010 /nfs/dbraw/zinc/41/70/10/373417010.db2.gz OHGXKBXBAOYLLV-DTWKUNHWSA-N 0 3 299.327 -1.081 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@@](C)(O)CN(C)C ZINC000340298070 373417049 /nfs/dbraw/zinc/41/70/49/373417049.db2.gz MJXVNOOXUHFUHP-SNVBAGLBSA-N 0 3 281.378 -1.646 20 0 CAADHN C[C@@H](C(=O)NC[C@H]1CNCCO1)N1CCNCC1=O ZINC000638338532 373417273 /nfs/dbraw/zinc/41/72/73/373417273.db2.gz YKOMXRLFVDURDV-VHSXEESVSA-N 0 3 270.333 -2.089 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000353510418 373417545 /nfs/dbraw/zinc/41/75/45/373417545.db2.gz JFNQEBWOZHBTNK-JQWIXIFHSA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@H](C(=O)NC[C@H]1CNCCO1)N1CCNCC1=O ZINC000638338530 373417763 /nfs/dbraw/zinc/41/77/63/373417763.db2.gz YKOMXRLFVDURDV-NXEZZACHSA-N 0 3 270.333 -2.089 20 0 CAADHN CC[C@H](N)C(=O)N1CCO[C@H](CNC(=O)NC)C1 ZINC000638502578 373430847 /nfs/dbraw/zinc/43/08/47/373430847.db2.gz WNTGJQKLNLCKAW-BDAKNGLRSA-N 0 3 258.322 -1.120 20 0 CAADHN Cn1cnnc1N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638395181 373420077 /nfs/dbraw/zinc/42/00/77/373420077.db2.gz SPLZCFBDNNVZHJ-UHFFFAOYSA-N 0 3 293.375 -1.631 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1CCNCC1 ZINC000638409542 373420360 /nfs/dbraw/zinc/42/03/60/373420360.db2.gz PCMPLQCUNVZUOU-ZJUUUORDSA-N 0 3 291.373 -2.180 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CN1CCNCC1 ZINC000638409541 373420435 /nfs/dbraw/zinc/42/04/35/373420435.db2.gz PCMPLQCUNVZUOU-VHSXEESVSA-N 0 3 291.373 -2.180 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CN1CCNCC1 ZINC000638409540 373421135 /nfs/dbraw/zinc/42/11/35/373421135.db2.gz PCMPLQCUNVZUOU-UWVGGRQHSA-N 0 3 291.373 -2.180 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C1(N)CC1 ZINC000638445706 373422973 /nfs/dbraw/zinc/42/29/73/373422973.db2.gz HXZFUHGLFBDIHY-JTQLQIEISA-N 0 3 257.334 -1.371 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H]2CN3CCN2CCC3)CNCCO1 ZINC000638427958 373423144 /nfs/dbraw/zinc/42/31/44/373423144.db2.gz XXETUGAAZCJNQV-OCCSQVGLSA-N 0 3 282.388 -1.129 20 0 CAADHN N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000638424300 373423250 /nfs/dbraw/zinc/42/32/50/373423250.db2.gz HANOLAGSHDCFSD-UTUOFQBUSA-N 0 3 268.361 -1.391 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)CN2CCNCC2)CS1(=O)=O ZINC000638414627 373423414 /nfs/dbraw/zinc/42/34/14/373423414.db2.gz SIWCKIRUPUXQBU-QWRGUYRKSA-N 0 3 289.401 -1.027 20 0 CAADHN C[C@]1(C(=O)NC[C@@H]2CN3CCN2CCC3)CNCCO1 ZINC000638427959 373423593 /nfs/dbraw/zinc/42/35/93/373423593.db2.gz XXETUGAAZCJNQV-TZMCWYRMSA-N 0 3 282.388 -1.129 20 0 CAADHN CC[C@@H](N)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638480647 373425563 /nfs/dbraw/zinc/42/55/63/373425563.db2.gz XIRTUYSYMBMFDY-LLVKDONJSA-N 0 3 283.376 -1.107 20 0 CAADHN NC1(C(=O)N2CCN(C(=O)N3CCNCC3)CC2)CC1 ZINC000638475702 373425692 /nfs/dbraw/zinc/42/56/92/373425692.db2.gz BRFZDHVJPOUFHE-UHFFFAOYSA-N 0 3 281.360 -1.353 20 0 CAADHN O=C(CCOC1CNC1)N1CCN(c2nccnn2)CC1 ZINC000638463818 373425914 /nfs/dbraw/zinc/42/59/14/373425914.db2.gz IRLOTGGMWOIXFC-UHFFFAOYSA-N 0 3 292.343 -1.101 20 0 CAADHN CNC(=O)NC[C@@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000638498117 373428168 /nfs/dbraw/zinc/42/81/68/373428168.db2.gz IDOGRDMDLPAPGD-LLVKDONJSA-N 0 3 299.375 -1.952 20 0 CAADHN O=C(CN1CCNCC1)NCCNC(=O)c1cccnc1 ZINC000638068329 373379416 /nfs/dbraw/zinc/37/94/16/373379416.db2.gz JBFZQXMPHJVXJT-UHFFFAOYSA-N 0 3 291.355 -1.167 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)N1CCNCC1=O)N(C)C ZINC000638080184 373379573 /nfs/dbraw/zinc/37/95/73/373379573.db2.gz LNXWDRHBKMFASW-ZJUUUORDSA-N 0 3 256.350 -1.127 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H]1CCN(CCOC)C1 ZINC000340160902 373379896 /nfs/dbraw/zinc/37/98/96/373379896.db2.gz NCISMARHHMSRMK-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CC1(OCC(=O)NCCCN2CCC[C@H]2C(N)=O)CNC1 ZINC000638497791 373429095 /nfs/dbraw/zinc/42/90/95/373429095.db2.gz PCKPVTHUWWXNNN-NSHDSACASA-N 0 3 298.387 -1.179 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H](C)N1CCNCC1=O ZINC000638091430 373382866 /nfs/dbraw/zinc/38/28/66/373382866.db2.gz NYQTUTVUQUZEEL-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@@H](C)N2CCNCC2=O)C1 ZINC000638098510 373385063 /nfs/dbraw/zinc/38/50/63/373385063.db2.gz BGFJZTDMJMJFHO-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN Cn1cc(N2CCN(C(=O)CN3CCNCC3)CC2)cn1 ZINC000638115474 373385242 /nfs/dbraw/zinc/38/52/42/373385242.db2.gz CXIGTLFDKLIDDN-UHFFFAOYSA-N 0 3 292.387 -1.026 20 0 CAADHN C[C@H](N)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000340180692 373385602 /nfs/dbraw/zinc/38/56/02/373385602.db2.gz LDHQIDQLZXOAIT-QMMMGPOBSA-N 0 3 268.317 -1.717 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@@H]2OCC[C@@H]2N)C1 ZINC000638101394 373385726 /nfs/dbraw/zinc/38/57/26/373385726.db2.gz PLAMMXMQXBATFP-OUAUKWLOSA-N 0 3 257.334 -1.061 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)CN1CCNCC1 ZINC000638099303 373385788 /nfs/dbraw/zinc/38/57/88/373385788.db2.gz SJSKQZRFPQXYCJ-LBPRGKRZSA-N 0 3 270.377 -1.272 20 0 CAADHN O=C(CN1CCNCC1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000638103516 373386230 /nfs/dbraw/zinc/38/62/30/373386230.db2.gz PRUNZPFCQUTJQI-ZIAGYGMSSA-N 0 3 296.415 -1.051 20 0 CAADHN CN1CCN(CCNC(=O)[C@]2(C)CNCCO2)CC1 ZINC000638137189 373387754 /nfs/dbraw/zinc/38/77/54/373387754.db2.gz RVIOABJYSZGIOR-ZDUSSCGKSA-N 0 3 270.377 -1.272 20 0 CAADHN COCCNCCNC(=O)[C@H](C)N1CCNCC1=O ZINC000638153486 373390342 /nfs/dbraw/zinc/39/03/42/373390342.db2.gz KNSJXDVBUMTZCH-JTQLQIEISA-N 0 3 272.349 -1.841 20 0 CAADHN COC(=O)CN(C)C(=O)CCN(C)CC(C)(CO)CO ZINC000340197935 373390820 /nfs/dbraw/zinc/39/08/20/373390820.db2.gz NFLMJURPRGWYRF-UHFFFAOYSA-N 0 3 290.360 -1.069 20 0 CAADHN C[C@H](Cn1cncn1)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000285015940 373392143 /nfs/dbraw/zinc/39/21/43/373392143.db2.gz MQKLMNVGSPAHPQ-SNVBAGLBSA-N 0 3 294.359 -1.007 20 0 CAADHN COCCNCCNC(=O)[C@@H](C)N1CCNCC1=O ZINC000638153495 373392636 /nfs/dbraw/zinc/39/26/36/373392636.db2.gz KNSJXDVBUMTZCH-SNVBAGLBSA-N 0 3 272.349 -1.841 20 0 CAADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000638174061 373394641 /nfs/dbraw/zinc/39/46/41/373394641.db2.gz NDOSZACSTUCEPI-WZRBSPASSA-N 0 3 296.371 -1.475 20 0 CAADHN O=C(Cc1ncn[nH]1)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000638172876 373396050 /nfs/dbraw/zinc/39/60/50/373396050.db2.gz BFGMRQMNXZJMTH-JTQLQIEISA-N 0 3 292.343 -1.230 20 0 CAADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000340216845 373398668 /nfs/dbraw/zinc/39/86/68/373398668.db2.gz BWHXVHQCLICJHE-NSHDSACASA-N 0 3 296.371 -1.207 20 0 CAADHN CCN(CCN)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000638516596 373429981 /nfs/dbraw/zinc/42/99/81/373429981.db2.gz DUSQRCKGLREZMI-SNVBAGLBSA-N 0 3 277.390 -1.088 20 0 CAADHN C[C@]1(C(=O)N2CC[C@H]3OCCN[C@@H]3C2)CNCCO1 ZINC000638227655 373400162 /nfs/dbraw/zinc/40/01/62/373400162.db2.gz RBLVWIHVYQMIQC-NQBHXWOUSA-N 0 3 269.345 -1.046 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)C(F)(F)F)C[C@H](C(N)=O)O1 ZINC000638503073 373430020 /nfs/dbraw/zinc/43/00/20/373430020.db2.gz ZTDYUKUYKLDXHT-HSUXUTPPSA-N 0 3 269.223 -1.023 20 0 CAADHN C[C@]1(C(=O)N2CC[C@@H]3OCCN[C@@H]3C2)CNCCO1 ZINC000638227656 373401600 /nfs/dbraw/zinc/40/16/00/373401600.db2.gz RBLVWIHVYQMIQC-NTZNESFSSA-N 0 3 269.345 -1.046 20 0 CAADHN COCCNCC(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000638848664 373480485 /nfs/dbraw/zinc/48/04/85/373480485.db2.gz JXGISUGLEOSOBS-CHWSQXEVSA-N 0 3 283.328 -1.266 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCC(=O)N(C)C ZINC000340467730 373438069 /nfs/dbraw/zinc/43/80/69/373438069.db2.gz XRAFRIOWAXWNKK-UHFFFAOYSA-N 0 3 258.322 -1.789 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C[C@@H]1CNCCO1 ZINC000638609211 373442737 /nfs/dbraw/zinc/44/27/37/373442737.db2.gz FMOYCHBUVWNDBY-WDEREUQCSA-N 0 3 257.334 -1.188 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC[C@H]2COCCN2)C1=O ZINC000638612455 373442829 /nfs/dbraw/zinc/44/28/29/373442829.db2.gz BCDPXJOJHMPTGM-QWRGUYRKSA-N 0 3 284.360 -1.569 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)CN1CCCC[C@H](N)C1=O ZINC000638609913 373442962 /nfs/dbraw/zinc/44/29/62/373442962.db2.gz HQEPKBLLOITYNJ-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)CCOC1CNC1 ZINC000638611258 373443236 /nfs/dbraw/zinc/44/32/36/373443236.db2.gz NGYLGVWYFNLECD-SNVBAGLBSA-N 0 3 257.334 -1.188 20 0 CAADHN N[C@@H]1CCCCN(CC(=O)NC[C@@H]2COCCN2)C1=O ZINC000638612453 373443472 /nfs/dbraw/zinc/44/34/72/373443472.db2.gz BCDPXJOJHMPTGM-GHMZBOCLSA-N 0 3 284.360 -1.569 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C[C@@H]1CNCCO1 ZINC000638609205 373443517 /nfs/dbraw/zinc/44/35/17/373443517.db2.gz FMOYCHBUVWNDBY-GHMZBOCLSA-N 0 3 257.334 -1.188 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)NC[C@H]1COCCN1 ZINC000638626004 373447264 /nfs/dbraw/zinc/44/72/64/373447264.db2.gz WOAHWRNGSWZYMS-QWRGUYRKSA-N 0 3 257.334 -1.140 20 0 CAADHN O=C(CNC[C@H]1CCCO1)NC[C@@H]1COCCN1 ZINC000638626001 373448582 /nfs/dbraw/zinc/44/85/82/373448582.db2.gz WOAHWRNGSWZYMS-GHMZBOCLSA-N 0 3 257.334 -1.140 20 0 CAADHN O=C(CNC[C@H]1CCCO1)NC[C@H]1COCCN1 ZINC000638626005 373448936 /nfs/dbraw/zinc/44/89/36/373448936.db2.gz WOAHWRNGSWZYMS-WDEREUQCSA-N 0 3 257.334 -1.140 20 0 CAADHN CNC(=O)NCC(=O)N(CCOC)CCN(C)C ZINC000340561172 373449177 /nfs/dbraw/zinc/44/91/77/373449177.db2.gz JHYXSEQXMKNIGU-UHFFFAOYSA-N 0 3 260.338 -1.048 20 0 CAADHN COCCN(C)CCCNC(=O)C(=O)N1CC(CO)C1 ZINC000340581924 373451682 /nfs/dbraw/zinc/45/16/82/373451682.db2.gz GGYUKTXCGCPYNX-UHFFFAOYSA-N 0 3 287.360 -1.478 20 0 CAADHN C[C@]12CN(C(=O)C[C@@H]3CNCCO3)C[C@@]1(C)C(=O)NC2=O ZINC000638849672 373481331 /nfs/dbraw/zinc/48/13/31/373481331.db2.gz ZLCFNCSAOPXZIO-FZQKWOKYSA-N 0 3 295.339 -1.124 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000298745476 373455831 /nfs/dbraw/zinc/45/58/31/373455831.db2.gz POSNORGLPXYWIL-VIFPVBQESA-N 0 3 270.333 -1.647 20 0 CAADHN CCN(CCCNc1nc(N)nc(N)n1)S(C)(=O)=O ZINC000623880288 373458111 /nfs/dbraw/zinc/45/81/11/373458111.db2.gz DVFWLDHCCFYYCG-UHFFFAOYSA-N 0 3 289.365 -1.798 20 0 CAADHN CN(C(=O)CN1CCNCC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000638699506 373459112 /nfs/dbraw/zinc/45/91/12/373459112.db2.gz RUQIHFMUBBOSAI-AOOOYVTPSA-N 0 3 254.334 -1.386 20 0 CAADHN NC(=O)C[C@@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000638724468 373459996 /nfs/dbraw/zinc/45/99/96/373459996.db2.gz NYJJAPLUNTXWSY-VDTYLAMSSA-N 0 3 269.223 -1.021 20 0 CAADHN NC(=O)C[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000638724110 373460357 /nfs/dbraw/zinc/46/03/57/373460357.db2.gz HSSVITMSIGUGBT-GHMZBOCLSA-N 0 3 285.344 -1.142 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CCCOC2)n1 ZINC000340985379 373462051 /nfs/dbraw/zinc/46/20/51/373462051.db2.gz STNPVOYHFRSEFX-JTQLQIEISA-N 0 3 296.375 -1.047 20 0 CAADHN CCN[C@H](C)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000638747701 373462133 /nfs/dbraw/zinc/46/21/33/373462133.db2.gz HZYIZLOYYMWUIV-ZJUUUORDSA-N 0 3 293.389 -1.239 20 0 CAADHN COCCN1CC[C@@H](NC(=O)NC(CO)CO)C1 ZINC000341163042 373465051 /nfs/dbraw/zinc/46/50/51/373465051.db2.gz MDTSLVURHGGSMT-SECBINFHSA-N 0 3 261.322 -1.641 20 0 CAADHN COCCN1CC[C@H](NC(=O)NC(CO)CO)C1 ZINC000341163045 373465108 /nfs/dbraw/zinc/46/51/08/373465108.db2.gz MDTSLVURHGGSMT-VIFPVBQESA-N 0 3 261.322 -1.641 20 0 CAADHN COCCNc1nc(NCCO)nc(NC(C)C)n1 ZINC000341260782 373466655 /nfs/dbraw/zinc/46/66/55/373466655.db2.gz CGOIIXZERPJGEQ-UHFFFAOYSA-N 0 3 270.337 -1.580 20 0 CAADHN COCCN1CC[C@H](NCc2cn(C)c(=O)n(C)c2=O)C1 ZINC000341219346 373466691 /nfs/dbraw/zinc/46/66/91/373466691.db2.gz KYBTUURDVYPLJO-LBPRGKRZSA-N 0 3 296.371 -1.106 20 0 CAADHN CNC(=O)NC(=O)CCN1CC[C@@H](NC(=O)NC)C1 ZINC000342353586 373474338 /nfs/dbraw/zinc/47/43/38/373474338.db2.gz CIMYSGJNFXQOLU-MRVPVSSYSA-N 0 3 271.321 -1.165 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)[C@@H](C)CO)n1 ZINC000342350492 373474826 /nfs/dbraw/zinc/47/48/26/373474826.db2.gz OPDOUFSYGVHBDP-VHSXEESVSA-N 0 3 298.391 -1.209 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)[C@H](C)CO)n1 ZINC000342350493 373474933 /nfs/dbraw/zinc/47/49/33/373474933.db2.gz OPDOUFSYGVHBDP-ZJUUUORDSA-N 0 3 298.391 -1.209 20 0 CAADHN CNC(=O)NC(=O)CCN1CC[C@H](NC(=O)NC)C1 ZINC000342353587 373475039 /nfs/dbraw/zinc/47/50/39/373475039.db2.gz CIMYSGJNFXQOLU-QMMMGPOBSA-N 0 3 271.321 -1.165 20 0 CAADHN CNCC(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000638798374 373475636 /nfs/dbraw/zinc/47/56/36/373475636.db2.gz UXGWJDWYXBMXRI-SECBINFHSA-N 0 3 263.363 -1.006 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)CC(N)=O)n1 ZINC000342367321 373477366 /nfs/dbraw/zinc/47/73/66/373477366.db2.gz YQAZLZACKFOLBE-MRVPVSSYSA-N 0 3 297.363 -1.962 20 0 CAADHN C[C@]12CN(C(=O)C3(N)CC3)C[C@]1(C)C(=O)NC2=O ZINC000638848821 373479083 /nfs/dbraw/zinc/47/90/83/373479083.db2.gz NJTYXUXNZXBJAC-GHMZBOCLSA-N 0 3 251.286 -1.011 20 0 CAADHN CC1(OCC(=O)N2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CNC1 ZINC000638848301 373479641 /nfs/dbraw/zinc/47/96/41/373479641.db2.gz GCSPGGHKKKCJRK-OKILXGFUSA-N 0 3 295.339 -1.124 20 0 CAADHN CN(C(=O)CN1CCNCC1=O)[C@H]1CN2CCC1CC2 ZINC000638854044 373479890 /nfs/dbraw/zinc/47/98/90/373479890.db2.gz MSPJPRYYHAKHFA-LBPRGKRZSA-N 0 3 280.372 -1.029 20 0 CAADHN C[C@]12CN(C(=O)CN3CCNCC3)C[C@]1(C)C(=O)NC2=O ZINC000638848758 373480008 /nfs/dbraw/zinc/48/00/08/373480008.db2.gz LTRNWVHBWJCXDD-ZIAGYGMSSA-N 0 3 294.355 -1.597 20 0 CAADHN C[C@@]12CN(C(=O)CN3CCNCC3)C[C@@]1(C)C(=O)NC2=O ZINC000638848756 373480172 /nfs/dbraw/zinc/48/01/72/373480172.db2.gz LTRNWVHBWJCXDD-KBPBESRZSA-N 0 3 294.355 -1.597 20 0 CAADHN CN(C)[C@]1(CNC(=O)C(=O)N(C)CCO)CCSC1 ZINC000340437732 373432572 /nfs/dbraw/zinc/43/25/72/373432572.db2.gz WTWWGTAPFYQTGK-LBPRGKRZSA-N 0 3 289.401 -1.009 20 0 CAADHN CC[C@@H](N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000574449973 335020382 /nfs/dbraw/zinc/02/03/82/335020382.db2.gz WCCCYTIWAIEAPH-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@@]12CN(C(=O)CCOC3CNC3)C[C@@]1(C)C(=O)NC2=O ZINC000638849110 373480426 /nfs/dbraw/zinc/48/04/26/373480426.db2.gz PWBUYKJZKSRZMW-KBPBESRZSA-N 0 3 295.339 -1.124 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C ZINC000330719954 373492220 /nfs/dbraw/zinc/49/22/20/373492220.db2.gz WPCSGYSDFPMYLX-NXEZZACHSA-N 0 3 293.389 -1.551 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)CNCCOC ZINC000638981551 373493253 /nfs/dbraw/zinc/49/32/53/373493253.db2.gz UAOAXIUMQJPDGD-UHFFFAOYSA-N 0 3 267.351 -1.722 20 0 CAADHN CNC(=O)NC[C@@H]1COCCN1C(=O)CN1CCNCC1 ZINC000639003049 373494901 /nfs/dbraw/zinc/49/49/01/373494901.db2.gz DFPOLDQPQMCHOF-LLVKDONJSA-N 0 3 299.375 -1.952 20 0 CAADHN CC[C@H](N)C(=O)N1CCOC[C@H]1CNC(=O)NC ZINC000639005647 373495169 /nfs/dbraw/zinc/49/51/69/373495169.db2.gz YWLSLJNHKBDSSR-BDAKNGLRSA-N 0 3 258.322 -1.120 20 0 CAADHN CS(=O)(=O)NCCNC(=O)C[C@@H]1CSCCN1 ZINC000091134421 373497594 /nfs/dbraw/zinc/49/75/94/373497594.db2.gz HXRAZNNFUZZCDP-MRVPVSSYSA-N 0 3 281.403 -1.253 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CCCCC(=O)N3)CCN2C1=O ZINC000567063346 373498198 /nfs/dbraw/zinc/49/81/98/373498198.db2.gz VUDLZERXOCZCLL-HBNTYKKESA-N 0 3 294.355 -1.184 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457097201 373500111 /nfs/dbraw/zinc/50/01/11/373500111.db2.gz RROGZTVCXFHOOW-SNVBAGLBSA-N 0 3 292.405 -1.019 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000623890543 373503373 /nfs/dbraw/zinc/50/33/73/373503373.db2.gz OULRXUGHABDOLM-ZCFIWIBFSA-N 0 3 287.349 -2.045 20 0 CAADHN CS(=O)(=O)N1CCC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623890542 373504722 /nfs/dbraw/zinc/50/47/22/373504722.db2.gz OULRXUGHABDOLM-LURJTMIESA-N 0 3 287.349 -2.045 20 0 CAADHN O=C(N[C@H]1CCC(=O)NC1)[C@H]1CN2CCN1CCC2 ZINC000343345899 373506442 /nfs/dbraw/zinc/50/64/42/373506442.db2.gz RJBZMCNORNIHIL-WDEREUQCSA-N 0 3 266.345 -1.229 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@](C)(O)CN(C)C ZINC000343545482 373509118 /nfs/dbraw/zinc/50/91/18/373509118.db2.gz IEPQYNYHSKCDMS-NSHDSACASA-N 0 3 260.338 -1.266 20 0 CAADHN NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000343670330 373509958 /nfs/dbraw/zinc/50/99/58/373509958.db2.gz ORGJIHYSFAIDQP-UHFFFAOYSA-N 0 3 254.334 -1.288 20 0 CAADHN CO[C@]1(CNCCNS(=O)(=O)N(C)C)CCOC1 ZINC000639164737 373513308 /nfs/dbraw/zinc/51/33/08/373513308.db2.gz SAAHHYKXXSYPAD-JTQLQIEISA-N 0 3 281.378 -1.223 20 0 CAADHN CN(C)S(=O)(=O)NCCN[C@@H]1CCCNC(=O)C1 ZINC000639163668 373514197 /nfs/dbraw/zinc/51/41/97/373514197.db2.gz IZWPGVJZQDKIGF-SECBINFHSA-N 0 3 278.378 -1.359 20 0 CAADHN CNc1nc(N[C@@H](C)CCO)nc(N[C@@H](C)CCO)n1 ZINC000343791415 373515144 /nfs/dbraw/zinc/51/51/44/373515144.db2.gz OQJBVMKZXGMCAB-IUCAKERBSA-N 0 3 284.364 -1.455 20 0 CAADHN CNc1nc(N[C@H](C)CCO)nc(N[C@@H](C)CCO)n1 ZINC000343791412 373515515 /nfs/dbraw/zinc/51/55/15/373515515.db2.gz OQJBVMKZXGMCAB-DTORHVGOSA-N 0 3 284.364 -1.455 20 0 CAADHN CNc1nc(NC[C@@H](C)O)nc(NC[C@@H](C)O)n1 ZINC000343798253 373515589 /nfs/dbraw/zinc/51/55/89/373515589.db2.gz ZLUPUOMCOJJAHF-RNFRBKRXSA-N 0 3 256.310 -2.236 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)CN(C)C)n1 ZINC000343803501 373515671 /nfs/dbraw/zinc/51/56/71/373515671.db2.gz IEDJQUXUUXWFCB-SNVBAGLBSA-N 0 3 297.407 -1.276 20 0 CAADHN CNc1nc(NC[C@H](C)CO)nc(NC[C@H](C)CO)n1 ZINC000343927772 373515868 /nfs/dbraw/zinc/51/58/68/373515868.db2.gz UJYBFSJWIBNYEX-IUCAKERBSA-N 0 3 284.364 -1.740 20 0 CAADHN COC(=O)[C@@](C)(O)CN(C)C[C@@H](O)CN1CCOCC1 ZINC000343823191 373516508 /nfs/dbraw/zinc/51/65/08/373516508.db2.gz ULKWTAAKHGHNJG-YPMHNXCESA-N 0 3 290.360 -1.465 20 0 CAADHN CNc1nc(N[C@H](C)CCO)nc(N[C@H](C)CCO)n1 ZINC000343791416 373517152 /nfs/dbraw/zinc/51/71/52/373517152.db2.gz OQJBVMKZXGMCAB-RKDXNWHRSA-N 0 3 284.364 -1.455 20 0 CAADHN CNc1nc(NC[C@@H](C)CO)nc(NC[C@@H](C)CO)n1 ZINC000343927774 373520511 /nfs/dbraw/zinc/52/05/11/373520511.db2.gz UJYBFSJWIBNYEX-RKDXNWHRSA-N 0 3 284.364 -1.740 20 0 CAADHN CCNC(=O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000344215040 373521786 /nfs/dbraw/zinc/52/17/86/373521786.db2.gz HQKAHTKUNZZMFR-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CS(=O)(=O)N(C)C ZINC000345162884 373523882 /nfs/dbraw/zinc/52/38/82/373523882.db2.gz KGFXMRPYDITLRI-JTQLQIEISA-N 0 3 281.378 -1.693 20 0 CAADHN CC(=O)NCC(=O)N1CCN(CCN(C)C)CC1 ZINC000345128411 373525479 /nfs/dbraw/zinc/52/54/79/373525479.db2.gz IZPMSDWZVGLHNJ-UHFFFAOYSA-N 0 3 256.350 -1.172 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCC(=O)NC2)CC1=O ZINC000345245571 373528176 /nfs/dbraw/zinc/52/81/76/373528176.db2.gz NIXRWPBDUDTDTI-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)CCOCCNC(=O)CS(=O)(=O)N(C)C ZINC000345265063 373528549 /nfs/dbraw/zinc/52/85/49/373528549.db2.gz LHJRBSRGFHWDTN-UHFFFAOYSA-N 0 3 281.378 -1.428 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)NCC1=CCN(C)CC1 ZINC000613266636 373529989 /nfs/dbraw/zinc/52/99/89/373529989.db2.gz SLMDGWFBYUFITC-UHFFFAOYSA-N 0 3 290.389 -1.240 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](C(N)=O)C2)CC1=O ZINC000345450379 373530790 /nfs/dbraw/zinc/53/07/90/373530790.db2.gz DCLNMGRXHTUBPN-QWRGUYRKSA-N 0 3 296.371 -1.270 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](C(N)=O)C2)CC1=O ZINC000345450373 373531567 /nfs/dbraw/zinc/53/15/67/373531567.db2.gz DCLNMGRXHTUBPN-GHMZBOCLSA-N 0 3 296.371 -1.270 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000638927735 373484547 /nfs/dbraw/zinc/48/45/47/373484547.db2.gz FILLLMQSCISENC-IUCAKERBSA-N 0 3 299.356 -1.729 20 0 CAADHN CN(CCN1CCCC1)C(=O)[C@@H](CO)NC(N)=O ZINC000330540709 373489967 /nfs/dbraw/zinc/48/99/67/373489967.db2.gz HLLQDEXTSRKJGN-SECBINFHSA-N 0 3 258.322 -1.016 20 0 CAADHN C[C@@H](O)C(=O)N1CCN(C[C@H](O)CN(C)C2CC2)CC1 ZINC000351710308 373579381 /nfs/dbraw/zinc/57/93/81/373579381.db2.gz BTQLKVBFBMMKFK-DGCLKSJQSA-N 0 3 285.388 -1.034 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000332737250 373581359 /nfs/dbraw/zinc/58/13/59/373581359.db2.gz WCXFTPHYBNPFQY-BBBLOLIVSA-N 0 3 282.344 -1.281 20 0 CAADHN CCN(C(=O)CNC(=O)CNC(C)=O)[C@@H]1CCN(C)C1 ZINC000617557844 373582544 /nfs/dbraw/zinc/58/25/44/373582544.db2.gz USEFJQYNBHALJG-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CCN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H]1CCN(C)C1 ZINC000617554815 373582877 /nfs/dbraw/zinc/58/28/77/373582877.db2.gz KCNDTWXDQYGSRK-SECBINFHSA-N 0 3 296.327 -1.040 20 0 CAADHN COC(=O)[C@H]1CNC(=O)CN1C[C@@H](O)CN(C)C1CC1 ZINC000352356444 373587988 /nfs/dbraw/zinc/58/79/88/373587988.db2.gz HKZGRQRFKCWTHJ-WDEREUQCSA-N 0 3 285.344 -1.585 20 0 CAADHN CN(CCC[NH+](C)C)CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000617766533 373588656 /nfs/dbraw/zinc/58/86/56/373588656.db2.gz OAASYSBAWZQUIV-UHFFFAOYSA-N 0 3 299.375 -1.462 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H](CO)CN1CCCCC1 ZINC000334121393 373590471 /nfs/dbraw/zinc/59/04/71/373590471.db2.gz LOQDEBAPAZHTKS-SNVBAGLBSA-N 0 3 283.332 -1.053 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)N1CCN(C)C[C@H]1CN ZINC000582230797 373592666 /nfs/dbraw/zinc/59/26/66/373592666.db2.gz DCQYZRFIGPNINQ-QWHCGFSZSA-N 0 3 299.419 -1.009 20 0 CAADHN Nc1nc(N)nc(NC[C@H](O)COCC2CC2)n1 ZINC000623912968 373593542 /nfs/dbraw/zinc/59/35/42/373593542.db2.gz ZXNJDHBMNYPCBH-ZETCQYMHSA-N 0 3 254.294 -1.682 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCN(C)C2=O)CC1=O ZINC000346685293 373539638 /nfs/dbraw/zinc/53/96/38/373539638.db2.gz QQIIAOMABWDSHT-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H](CO)N1CCCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000346694060 373540608 /nfs/dbraw/zinc/54/06/08/373540608.db2.gz RPZVQOJMWUMTCQ-LBPRGKRZSA-N 0 3 298.387 -1.667 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)CCN1C ZINC000348029315 373541799 /nfs/dbraw/zinc/54/17/99/373541799.db2.gz VZDBWBMDGMOLAS-VWYCJHECSA-N 0 3 296.371 -1.068 20 0 CAADHN CC(C)COC[C@H](O)CN1CC[C@](O)(C(N)=O)C1 ZINC000348204471 373544756 /nfs/dbraw/zinc/54/47/56/373544756.db2.gz SVHGEPIRGBENQA-ZYHUDNBSSA-N 0 3 260.334 -1.058 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000348137891 373545359 /nfs/dbraw/zinc/54/53/59/373545359.db2.gz GUWGLBMYIFCEBE-ZJUUUORDSA-N 0 3 266.363 -1.006 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CO)CN1CCCCC1 ZINC000348234821 373545764 /nfs/dbraw/zinc/54/57/64/373545764.db2.gz XKHGYFCVRJIGHB-SNVBAGLBSA-N 0 3 272.349 -1.122 20 0 CAADHN C[C@H](C(=O)NC(=O)NC1CC1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000582160126 373547162 /nfs/dbraw/zinc/54/71/62/373547162.db2.gz QZWAYBUPKCMZGG-MIMYLULJSA-N 0 3 284.360 -1.030 20 0 CAADHN CC(C)(O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000348327014 373547902 /nfs/dbraw/zinc/54/79/02/373547902.db2.gz ZEUKEXRVMDIPDC-GHMZBOCLSA-N 0 3 292.401 -1.155 20 0 CAADHN O=C(CCOC1CNC1)NCCN1CCOCC1 ZINC000348986194 373550481 /nfs/dbraw/zinc/55/04/81/373550481.db2.gz BWBXSSWTDQNOJP-UHFFFAOYSA-N 0 3 257.334 -1.187 20 0 CAADHN CS(=O)(=O)NCCCNC(=O)CCOC1CNC1 ZINC000348991848 373551559 /nfs/dbraw/zinc/55/15/59/373551559.db2.gz NYYRDNGWHGUJHD-UHFFFAOYSA-N 0 3 279.362 -1.580 20 0 CAADHN COCCN(C)C[C@H](O)Cn1c(=O)ccn(C)c1=O ZINC000388971883 373552835 /nfs/dbraw/zinc/55/28/35/373552835.db2.gz OVDWLMMIFRBBTJ-JTQLQIEISA-N 0 3 271.317 -1.514 20 0 CAADHN CN[C@@H](C)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000583510126 373553274 /nfs/dbraw/zinc/55/32/74/373553274.db2.gz HSLLEHYKUJHJJM-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CN(Cc1nnnn1C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000536545098 373553454 /nfs/dbraw/zinc/55/34/54/373553454.db2.gz NWEGTLOSQDOWDU-JTQLQIEISA-N 0 3 279.348 -1.442 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CN(C)NC2=O)CC1=O ZINC000349696209 373553645 /nfs/dbraw/zinc/55/36/45/373553645.db2.gz QIAFZUJHVIXCCI-NXEZZACHSA-N 0 3 297.359 -2.142 20 0 CAADHN COCCN(C)C[C@@H](O)Cn1c(=O)ccn(C)c1=O ZINC000388971885 373554591 /nfs/dbraw/zinc/55/45/91/373554591.db2.gz OVDWLMMIFRBBTJ-SNVBAGLBSA-N 0 3 271.317 -1.514 20 0 CAADHN CC(=O)NCCN(C)C[C@@H](O)CN1CCOCC1 ZINC000583543456 373555560 /nfs/dbraw/zinc/55/55/60/373555560.db2.gz RCIJNTXWNXPBBD-GFCCVEGCSA-N 0 3 259.350 -1.253 20 0 CAADHN COCCN1CC[C@H](NC(=O)NCCS(N)(=O)=O)C1 ZINC000349929645 373558376 /nfs/dbraw/zinc/55/83/76/373558376.db2.gz CGVSTNVJNQQMQG-VIFPVBQESA-N 0 3 294.377 -1.705 20 0 CAADHN CCS(=O)(=O)NCCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583603021 373559751 /nfs/dbraw/zinc/55/97/51/373559751.db2.gz CTZHRZNNAFJFIV-UWVGGRQHSA-N 0 3 265.379 -1.468 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CN2CCN1CCC2)S(N)(=O)=O ZINC000535784845 373560705 /nfs/dbraw/zinc/56/07/05/373560705.db2.gz KTHSSHXNISNMKY-ZJUUUORDSA-N 0 3 290.389 -1.831 20 0 CAADHN O=C(NC[C@H]1CN2CCN1CC2)[C@@H]1CN2CCN1CCC2 ZINC000536548527 373561258 /nfs/dbraw/zinc/56/12/58/373561258.db2.gz JLCRIIZYVTZYIT-KBPBESRZSA-N 0 3 293.415 -1.508 20 0 CAADHN CN(C)S(=O)(=O)N1CC(N[C@@H]2CCCNC(=O)C2)C1 ZINC000639356098 373561697 /nfs/dbraw/zinc/56/16/97/373561697.db2.gz DQNDNMDEOSIDES-SECBINFHSA-N 0 3 290.389 -1.265 20 0 CAADHN NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000367166959 373561759 /nfs/dbraw/zinc/56/17/59/373561759.db2.gz BOGFCQMPJQEJSG-MNOVXSKESA-N 0 3 266.345 -1.147 20 0 CAADHN COCC1(O)CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000383956189 373562025 /nfs/dbraw/zinc/56/20/25/373562025.db2.gz DHAVCJNJBMWVEG-ZETCQYMHSA-N 0 3 251.304 -1.361 20 0 CAADHN CN(C)S(=O)(=O)N1CC(N[C@H]2CCCNC(=O)C2)C1 ZINC000639356100 373562205 /nfs/dbraw/zinc/56/22/05/373562205.db2.gz DQNDNMDEOSIDES-VIFPVBQESA-N 0 3 290.389 -1.265 20 0 CAADHN CN(C)C(=O)CN1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623959898 373565993 /nfs/dbraw/zinc/56/59/93/373565993.db2.gz CDKXOHWIZHBJRW-UHFFFAOYSA-N 0 3 294.363 -1.917 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN(c2nc[nH]n2)CC1 ZINC000639731420 373595804 /nfs/dbraw/zinc/59/58/04/373595804.db2.gz FVQZVDMROPLGRP-LBPRGKRZSA-N 0 3 298.391 -1.134 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000520411137 373568279 /nfs/dbraw/zinc/56/82/79/373568279.db2.gz QVDBVFZIAACQGI-IJLUTSLNSA-N 0 3 299.371 -1.074 20 0 CAADHN CN(CC1CC1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000520565652 373568607 /nfs/dbraw/zinc/56/86/07/373568607.db2.gz SPZPKCVWDVITGE-LLVKDONJSA-N 0 3 268.361 -1.044 20 0 CAADHN CN(C(=O)[C@@H]1CN2CCN1CCC2)[C@@H]1COC[C@H]1O ZINC000329381091 373568737 /nfs/dbraw/zinc/56/87/37/373568737.db2.gz NOOJXRNBGSLAON-QJPTWQEYSA-N 0 3 269.345 -1.406 20 0 CAADHN O=C(CNCC1CC1)NCC(=O)N1CCNCC1 ZINC000520404711 373569044 /nfs/dbraw/zinc/56/90/44/373569044.db2.gz MBZHRXXPFVOYKL-UHFFFAOYSA-N 0 3 254.334 -1.466 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N(C)[C@@H]2COC[C@H]2O)CC1=O ZINC000329367765 373569617 /nfs/dbraw/zinc/56/96/17/373569617.db2.gz IZRURARVLANWOJ-IJLUTSLNSA-N 0 3 299.371 -1.385 20 0 CAADHN COC(=O)C[C@H](N)C(=O)NCCN1CCCOCC1 ZINC000583629703 373571062 /nfs/dbraw/zinc/57/10/62/373571062.db2.gz XSJVVICHTJJPIB-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN CN(C[C@H](O)CN1CCO[C@@H](C(N)=O)C1)C1CC1 ZINC000351438238 373571995 /nfs/dbraw/zinc/57/19/95/373571995.db2.gz DLPOANUIVLFARB-WDEREUQCSA-N 0 3 257.334 -1.372 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CSCN3)CCN2C1=O ZINC000583641754 373572136 /nfs/dbraw/zinc/57/21/36/373572136.db2.gz BBNVOFMAWCCWKU-HLTSFMKQSA-N 0 3 270.358 -1.581 20 0 CAADHN O[C@@H]1COC[C@@H]1N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000520679690 373572746 /nfs/dbraw/zinc/57/27/46/373572746.db2.gz SOWAFVSDBXAHLM-TUAOUCFPSA-N 0 3 268.317 -1.135 20 0 CAADHN CCOCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000520612781 373572863 /nfs/dbraw/zinc/57/28/63/373572863.db2.gz SUIODIAZGCZBLX-ZJUUUORDSA-N 0 3 270.333 -1.024 20 0 CAADHN CN(C[C@@H](O)CN1CCO[C@H](C(N)=O)C1)C1CC1 ZINC000351438235 373572895 /nfs/dbraw/zinc/57/28/95/373572895.db2.gz DLPOANUIVLFARB-MNOVXSKESA-N 0 3 257.334 -1.372 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN(c2nc[nH]n2)CC1 ZINC000639731419 373596278 /nfs/dbraw/zinc/59/62/78/373596278.db2.gz FVQZVDMROPLGRP-GFCCVEGCSA-N 0 3 298.391 -1.134 20 0 CAADHN CNS(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000351581047 373577800 /nfs/dbraw/zinc/57/78/00/373577800.db2.gz GAYAAERYJZTNLX-SECBINFHSA-N 0 3 278.378 -1.372 20 0 CAADHN C[C@H](CS(C)(=O)=O)N(C)c1nc(N)nc(N)n1 ZINC000623965468 373596385 /nfs/dbraw/zinc/59/63/85/373596385.db2.gz JYPUPNAPCHMWLO-RXMQYKEDSA-N 0 3 260.323 -1.434 20 0 CAADHN C[C@@H](CS(C)(=O)=O)N(C)c1nc(N)nc(N)n1 ZINC000623965469 373596422 /nfs/dbraw/zinc/59/64/22/373596422.db2.gz JYPUPNAPCHMWLO-YFKPBYRVSA-N 0 3 260.323 -1.434 20 0 CAADHN CN1CCN(C(=O)CCN2CCN(C)C[C@H]2CO)CC1 ZINC000639871252 373624960 /nfs/dbraw/zinc/62/49/60/373624960.db2.gz JERCADYOCLFQKS-ZDUSSCGKSA-N 0 3 284.404 -1.241 20 0 CAADHN CC(C)(C)NC(=O)CCNc1nc(N)nc(N)n1 ZINC000623934938 373625249 /nfs/dbraw/zinc/62/52/49/373625249.db2.gz KXDVLKYRRAUSBQ-UHFFFAOYSA-N 0 3 253.310 -1.165 20 0 CAADHN Nc1nc(N)nc(N2CCN([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000623937023 373635294 /nfs/dbraw/zinc/63/52/94/373635294.db2.gz RLTLDATWOCSVIM-RKDXNWHRSA-N 0 3 279.348 -1.268 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COCCN1)CN1CCN(C)CC1 ZINC000431002989 373636504 /nfs/dbraw/zinc/63/65/04/373636504.db2.gz FCGIFHYEJGIAAO-QWHCGFSZSA-N 0 3 284.404 -1.026 20 0 CAADHN NC(=O)c1cc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccn1 ZINC000583214103 373637442 /nfs/dbraw/zinc/63/74/42/373637442.db2.gz KRPZRSCHBAQGPL-UWVGGRQHSA-N 0 3 275.312 -1.071 20 0 CAADHN COC[C@@H](NC(=O)C[C@H]1CNCCO1)C(=O)OC ZINC000584409793 373640009 /nfs/dbraw/zinc/64/00/09/373640009.db2.gz RACWGMJRKOKXAB-DTWKUNHWSA-N 0 3 260.290 -1.331 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1(N2CCOCC2)CC1 ZINC000633074027 373640297 /nfs/dbraw/zinc/64/02/97/373640297.db2.gz ZUUQBIWZCJZEFR-LLVKDONJSA-N 0 3 271.361 -1.110 20 0 CAADHN CNS(=O)(=O)CCN1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639941808 373640954 /nfs/dbraw/zinc/64/09/54/373640954.db2.gz BGXRCNBODHDNQB-QWRGUYRKSA-N 0 3 289.357 -1.480 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CN1CCOCC1 ZINC000218225540 373640970 /nfs/dbraw/zinc/64/09/70/373640970.db2.gz JDLLSPUUYSHXQT-LLVKDONJSA-N 0 3 259.350 -1.253 20 0 CAADHN CNS(=O)(=O)CCN1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639941807 373641210 /nfs/dbraw/zinc/64/12/10/373641210.db2.gz BGXRCNBODHDNQB-PHIMTYICSA-N 0 3 289.357 -1.480 20 0 CAADHN COC[C@H](NC(=O)C[C@H]1CNCCO1)C(=O)OC ZINC000584409796 373641322 /nfs/dbraw/zinc/64/13/22/373641322.db2.gz RACWGMJRKOKXAB-IUCAKERBSA-N 0 3 260.290 -1.331 20 0 CAADHN CCNC(=O)CN1CCCN(C(=O)[C@@H](CN)OC)CC1 ZINC000583813509 373641357 /nfs/dbraw/zinc/64/13/57/373641357.db2.gz WLPQSBVHLLAICO-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN COC[C@@](C)(CO)NCCN1C(=O)N[C@@H](C)C1=O ZINC000639956269 373642434 /nfs/dbraw/zinc/64/24/34/373642434.db2.gz DIAXZXLTSWMAHR-GZMMTYOYSA-N 0 3 259.306 -1.086 20 0 CAADHN CNS(=O)(=O)CCCN[C@](C)(CO)COC ZINC000639955199 373642502 /nfs/dbraw/zinc/64/25/02/373642502.db2.gz KVIRNQISCHBCIE-SECBINFHSA-N 0 3 254.352 -1.087 20 0 CAADHN C[C@]12CN(CC(=O)N3CCNC3=O)C[C@@]1(C)C(=O)NC2=O ZINC000639949112 373643247 /nfs/dbraw/zinc/64/32/47/373643247.db2.gz IARSCGXQOFPTLO-BETUJISGSA-N 0 3 294.311 -1.477 20 0 CAADHN COC[C@](C)(CO)NC[C@H](O)CN1CCOCC1 ZINC000639952746 373643708 /nfs/dbraw/zinc/64/37/08/373643708.db2.gz SFKSOVHGDOTPGP-RYUDHWBXSA-N 0 3 262.350 -1.334 20 0 CAADHN COC[C@](C)(CO)NCCN1C(=O)N[C@H](C)C1=O ZINC000639956270 373643727 /nfs/dbraw/zinc/64/37/27/373643727.db2.gz DIAXZXLTSWMAHR-KCJUWKMLSA-N 0 3 259.306 -1.086 20 0 CAADHN COC[C@@](C)(CO)NCC(=O)N1CCN(C)CC1 ZINC000639955193 373643978 /nfs/dbraw/zinc/64/39/78/373643978.db2.gz KTCYPQZBOZJWKQ-GFCCVEGCSA-N 0 3 259.350 -1.253 20 0 CAADHN COC(=O)CNC(=O)CCN1C[C@H](O)C[C@H](O)C1 ZINC000610604598 373646049 /nfs/dbraw/zinc/64/60/49/373646049.db2.gz YECAKYVMGBWTQB-DTORHVGOSA-N 0 3 260.290 -1.907 20 0 CAADHN CCN1CCN(C(=O)C(=O)NC2CNC2)[C@H](C)C1=O ZINC000584581003 373648591 /nfs/dbraw/zinc/64/85/91/373648591.db2.gz AQKZXPSVCUZZES-MRVPVSSYSA-N 0 3 268.317 -1.846 20 0 CAADHN C[C@@H]1CN(C(=O)NCC(=O)N2CCNCC2)[C@@H](C)CN1 ZINC000584710119 373651222 /nfs/dbraw/zinc/65/12/22/373651222.db2.gz JRTQFISIPLYLHH-MNOVXSKESA-N 0 3 283.376 -1.190 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN(C)C1CC1 ZINC000584787798 373653007 /nfs/dbraw/zinc/65/30/07/373653007.db2.gz VUANCDFUBCPWGC-UHFFFAOYSA-N 0 3 264.351 -1.749 20 0 CAADHN CC[C@H](COC)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000584770167 373653107 /nfs/dbraw/zinc/65/31/07/373653107.db2.gz YHFQMMOXEJJKNU-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN CO[C@H](CN)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O ZINC000353019021 373597786 /nfs/dbraw/zinc/59/77/86/373597786.db2.gz ZNQPYDVXYJGDJT-LPEHRKFASA-N 0 3 293.389 -1.206 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000353149303 373601037 /nfs/dbraw/zinc/60/10/37/373601037.db2.gz HUCMVXSVDUMYFZ-JTQLQIEISA-N 0 3 298.343 -2.091 20 0 CAADHN CC(C)CN1CCO[C@H](CNC(=O)[C@H](N)CC(N)=O)C1 ZINC000353083042 373601308 /nfs/dbraw/zinc/60/13/08/373601308.db2.gz CYYCIEXIHMCUSV-GHMZBOCLSA-N 0 3 286.376 -1.338 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCO3)CCN2C1=O ZINC000584850719 373655916 /nfs/dbraw/zinc/65/59/16/373655916.db2.gz QKEFHBCZZLGYRC-UTLUCORTSA-N 0 3 253.302 -1.064 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)[C@H](CO)NC(N)=O ZINC000354043520 373604743 /nfs/dbraw/zinc/60/47/43/373604743.db2.gz NTAATMYDBXWXRT-VIFPVBQESA-N 0 3 258.322 -1.432 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000354084532 373606407 /nfs/dbraw/zinc/60/64/07/373606407.db2.gz XUFFNUFFPGISKU-UHFFFAOYSA-N 0 3 296.327 -1.040 20 0 CAADHN CN(C)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(C)C2=O)C1 ZINC000354054726 373606584 /nfs/dbraw/zinc/60/65/84/373606584.db2.gz VBVYWQWDSNZMLT-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@H]1NC(=O)N(CCN2[C@@H](CO)CC[C@@H]2CO)C1=O ZINC000639783458 373607234 /nfs/dbraw/zinc/60/72/34/373607234.db2.gz YHPZFULKLIXVQN-OPRDCNLKSA-N 0 3 271.317 -1.256 20 0 CAADHN CCS(=O)(=O)C[C@H](C)N(C)c1nc(N)nc(N)n1 ZINC000623970577 373607359 /nfs/dbraw/zinc/60/73/59/373607359.db2.gz UPHDACYIJRMFLW-LURJTMIESA-N 0 3 274.350 -1.044 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000367194242 373608985 /nfs/dbraw/zinc/60/89/85/373608985.db2.gz BAEXVMBJCAQVRC-GFCCVEGCSA-N 0 3 266.345 -1.277 20 0 CAADHN CN1CCCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000355578311 373611928 /nfs/dbraw/zinc/61/19/28/373611928.db2.gz MYHNCYSKBSIUSM-UHFFFAOYSA-N 0 3 254.334 -1.418 20 0 CAADHN CNS(=O)(=O)CCCN1C[C@H](O)C[C@]1(C)CO ZINC000639852955 373614491 /nfs/dbraw/zinc/61/44/91/373614491.db2.gz WSYAHLADSKJRMZ-NXEZZACHSA-N 0 3 266.363 -1.257 20 0 CAADHN C[C@]1(CO)C[C@@H](O)CN1C[C@@H](O)CN1CCOCC1 ZINC000639858041 373614753 /nfs/dbraw/zinc/61/47/53/373614753.db2.gz WZAIPCRQKURFCQ-FRRDWIJNSA-N 0 3 274.361 -1.503 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@H](O)C[C@]1(C)CO ZINC000639850728 373614878 /nfs/dbraw/zinc/61/48/78/373614878.db2.gz WUXUZMITAGIJCN-FRRDWIJNSA-N 0 3 276.377 -1.257 20 0 CAADHN CNS(=O)(=O)CCCN1C[C@H](O)C[C@@]1(C)CO ZINC000639852961 373615180 /nfs/dbraw/zinc/61/51/80/373615180.db2.gz WSYAHLADSKJRMZ-ZJUUUORDSA-N 0 3 266.363 -1.257 20 0 CAADHN Nc1nc(N)nc(N2CCN(c3cccnn3)CC2)n1 ZINC000623927155 373615795 /nfs/dbraw/zinc/61/57/95/373615795.db2.gz YUXMLWZMBKDSHW-UHFFFAOYSA-N 0 3 273.304 -1.187 20 0 CAADHN CCOC(=O)CC[C@H](O)CNCCNS(C)(=O)=O ZINC000385449227 373656881 /nfs/dbraw/zinc/65/68/81/373656881.db2.gz SLSKGGIPMZUPNZ-VIFPVBQESA-N 0 3 282.362 -1.171 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)[C@@H]3CCCO3)CCN2C1=O ZINC000584850718 373656913 /nfs/dbraw/zinc/65/69/13/373656913.db2.gz QKEFHBCZZLGYRC-GUBZILKMSA-N 0 3 253.302 -1.064 20 0 CAADHN C[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)N(C)C ZINC000623976124 373618137 /nfs/dbraw/zinc/61/81/37/373618137.db2.gz ZFTYHPQZJSSMPO-QMMMGPOBSA-N 0 3 256.306 -1.053 20 0 CAADHN Cc1noc(CCCNc2nc(N)nc(N)n2)n1 ZINC000623933134 373621176 /nfs/dbraw/zinc/62/11/76/373621176.db2.gz SHOXKXUAHGVOOL-UHFFFAOYSA-N 0 3 250.266 -1.145 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)C1(n2cnnn2)CC1 ZINC000612871827 373714547 /nfs/dbraw/zinc/71/45/47/373714547.db2.gz QVBDKMPMSOXKQN-JTQLQIEISA-N 0 3 268.321 -1.409 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@H](O)[C@@H](O)C1 ZINC000628526329 373716830 /nfs/dbraw/zinc/71/68/30/373716830.db2.gz VYXKQTGMFVRCBW-DCAQKATOSA-N 0 3 255.318 -2.060 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000227367577 373660199 /nfs/dbraw/zinc/66/01/99/373660199.db2.gz NKVGDSUAAWKLPR-SECBINFHSA-N 0 3 258.322 -1.214 20 0 CAADHN COC[C@@H](CCO)NC[C@@H](O)CN1CCOCC1 ZINC000228349820 373660284 /nfs/dbraw/zinc/66/02/84/373660284.db2.gz WOOAIZOXIRHBQG-VXGBXAGGSA-N 0 3 262.350 -1.334 20 0 CAADHN CN1CCN(S(=O)(=O)N2CCOCC2)[C@@H](CN)C1 ZINC000226618388 373661314 /nfs/dbraw/zinc/66/13/14/373661314.db2.gz JFBIRWDGEAIIPJ-JTQLQIEISA-N 0 3 278.378 -1.862 20 0 CAADHN C[C@@H](NC[C@H](O)CN1CCOCC1)C(=O)N(C)C ZINC000042225659 373661339 /nfs/dbraw/zinc/66/13/39/373661339.db2.gz DJQDFFATRXANQK-MNOVXSKESA-N 0 3 259.350 -1.254 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CN2CCOCC2)C1=O ZINC000230264751 373662770 /nfs/dbraw/zinc/66/27/70/373662770.db2.gz BVKPSIULAUMEQW-WDEREUQCSA-N 0 3 257.334 -1.500 20 0 CAADHN CN(C)C(=O)CCNC[C@H](O)CN1CCOCC1 ZINC000044992152 373662805 /nfs/dbraw/zinc/66/28/05/373662805.db2.gz WUMSQXBWPILCND-NSHDSACASA-N 0 3 259.350 -1.253 20 0 CAADHN NC(=O)[C@@H](O)CNC[C@@H](O)COc1ccccc1 ZINC000228689784 373662981 /nfs/dbraw/zinc/66/29/81/373662981.db2.gz WYAJYBXPVHOGKE-KOLCDFICSA-N 0 3 254.286 -1.138 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CN2CCOCC2)C1=O ZINC000230264743 373663330 /nfs/dbraw/zinc/66/33/30/373663330.db2.gz BVKPSIULAUMEQW-GHMZBOCLSA-N 0 3 257.334 -1.500 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CN2CCOCC2)C1=O ZINC000230264756 373663712 /nfs/dbraw/zinc/66/37/12/373663712.db2.gz BVKPSIULAUMEQW-QWRGUYRKSA-N 0 3 257.334 -1.500 20 0 CAADHN NC(=O)[C@@H](O)CNC[C@@H](O)COCc1ccccc1 ZINC000228688881 373663756 /nfs/dbraw/zinc/66/37/56/373663756.db2.gz JHDNXOQZMPIMRX-NEPJUHHUSA-N 0 3 268.313 -1.000 20 0 CAADHN NC(=O)[C@H](O)CNC[C@@H](O)COc1ccccc1 ZINC000228689793 373663898 /nfs/dbraw/zinc/66/38/98/373663898.db2.gz WYAJYBXPVHOGKE-MWLCHTKSSA-N 0 3 254.286 -1.138 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425064346 373665487 /nfs/dbraw/zinc/66/54/87/373665487.db2.gz HLNBZTLSVILMOG-VHSXEESVSA-N 0 3 290.389 -1.407 20 0 CAADHN CNC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000061757154 373668723 /nfs/dbraw/zinc/66/87/23/373668723.db2.gz CQXIXNRQVNHQDY-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN CN(CCN)C(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000419194333 373670269 /nfs/dbraw/zinc/67/02/69/373670269.db2.gz PVJQFLMZTJHERZ-VIFPVBQESA-N 0 3 284.360 -1.081 20 0 CAADHN CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)NCCN ZINC000419824654 373670532 /nfs/dbraw/zinc/67/05/32/373670532.db2.gz ZUHIMQDTFIBQBG-JTQLQIEISA-N 0 3 256.350 -1.140 20 0 CAADHN C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420061427 373673425 /nfs/dbraw/zinc/67/34/25/373673425.db2.gz LMLZGFVRNDQQPE-SCZZXKLOSA-N 0 3 282.344 -1.471 20 0 CAADHN CCOC(=O)C[C@H](C)N(C)C(=O)C(=O)NC1CNC1 ZINC000571778122 373675785 /nfs/dbraw/zinc/67/57/85/373675785.db2.gz UAEKHXVDXBSWBB-QMMMGPOBSA-N 0 3 271.317 -1.126 20 0 CAADHN COC(=O)[C@@H](O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000611218250 373676385 /nfs/dbraw/zinc/67/63/85/373676385.db2.gz SDRYGKAEBNPAHQ-UWVGGRQHSA-N 0 3 271.317 -1.974 20 0 CAADHN C[C@@H](Nc1nc(N)nc(N)n1)[C@@H](C)N1CCOCC1 ZINC000623942762 373676958 /nfs/dbraw/zinc/67/69/58/373676958.db2.gz SIBTVCUYCVXQRU-HTQZYQBOSA-N 0 3 267.337 -1.360 20 0 CAADHN CO[C@H](CN)C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000571909313 373677675 /nfs/dbraw/zinc/67/76/75/373677675.db2.gz XAQLNKUEYYCZTP-HLUHBDAQSA-N 0 3 295.343 -1.218 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)C(C)S(C)(=O)=O ZINC000572002504 373677969 /nfs/dbraw/zinc/67/79/69/373677969.db2.gz HKCVKKAOMINTHW-BWZBUEFSSA-N 0 3 251.304 -1.051 20 0 CAADHN C[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)N1CCN(C)CC1 ZINC000572079945 373678162 /nfs/dbraw/zinc/67/81/62/373678162.db2.gz ASMTYMLIKJGCAX-AVGNSLFASA-N 0 3 284.404 -1.244 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CNC[C@@H](O)CO)C[C@@H](C)O1 ZINC000571869818 373678707 /nfs/dbraw/zinc/67/87/07/373678707.db2.gz UBOGGBLCCQXXLL-DDHJBXDOSA-N 0 3 262.350 -1.601 20 0 CAADHN CN(C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)C1 ZINC000626677602 373678728 /nfs/dbraw/zinc/67/87/28/373678728.db2.gz MVCOPTXSNWVIGD-UHIISALHSA-N 0 3 299.371 -1.066 20 0 CAADHN NC(=O)CCNCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000572114076 373680207 /nfs/dbraw/zinc/68/02/07/373680207.db2.gz BTTQGUFXLVXHCY-SNVBAGLBSA-N 0 3 293.389 -1.060 20 0 CAADHN COC[C@H](NC(=O)[C@H]1CN2CCN1CCC2)C(=O)OC ZINC000611507747 373683394 /nfs/dbraw/zinc/68/33/94/373683394.db2.gz XDXIMMVCFORGJF-WDEREUQCSA-N 0 3 285.344 -1.320 20 0 CAADHN CN1CCC(O)(CNC(=O)c2nc3n(n2)CCCN3)CC1 ZINC000611696128 373685368 /nfs/dbraw/zinc/68/53/68/373685368.db2.gz LFPPWNXWNNPORM-UHFFFAOYSA-N 0 3 294.359 -1.462 20 0 CAADHN CN(C)CCN(C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000611827437 373685645 /nfs/dbraw/zinc/68/56/45/373685645.db2.gz VAKGCGKOIVMBKL-GMTAPVOTSA-N 0 3 258.318 -1.581 20 0 CAADHN CN1C[C@H](C(=O)NCC2(O)CCN(C)CC2)NC1=O ZINC000611697247 373686251 /nfs/dbraw/zinc/68/62/51/373686251.db2.gz YEXCPBPHASYEJH-SECBINFHSA-N 0 3 270.333 -1.417 20 0 CAADHN CN(C)CCN(C)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000611826190 373686281 /nfs/dbraw/zinc/68/62/81/373686281.db2.gz MTZKLEYYDWTKCQ-SNVBAGLBSA-N 0 3 292.405 -1.078 20 0 CAADHN Cn1cnn(CC(=O)N[C@H]2CNCCC2(F)F)c1=O ZINC000574451752 335020638 /nfs/dbraw/zinc/02/06/38/335020638.db2.gz LOPSXCAOGVRQSF-ZETCQYMHSA-N 0 3 275.259 -1.305 20 0 CAADHN CCOC(=O)[C@@H](CO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000611863054 373687250 /nfs/dbraw/zinc/68/72/50/373687250.db2.gz SKNZCSKCAWELDN-MNOVXSKESA-N 0 3 285.344 -1.584 20 0 CAADHN CCOC(=O)[C@H](CO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000611863057 373688003 /nfs/dbraw/zinc/68/80/03/373688003.db2.gz SKNZCSKCAWELDN-WDEREUQCSA-N 0 3 285.344 -1.584 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CC(=O)N1 ZINC000423636476 373693955 /nfs/dbraw/zinc/69/39/55/373693955.db2.gz BITOYNLAENNXIM-DTWKUNHWSA-N 0 3 268.317 -1.717 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2CN)CC(=O)N1 ZINC000423717983 373694079 /nfs/dbraw/zinc/69/40/79/373694079.db2.gz BLTXKRBLXUFACD-GMTAPVOTSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2CN)CC(=O)N1 ZINC000423717986 373694273 /nfs/dbraw/zinc/69/42/73/373694273.db2.gz BLTXKRBLXUFACD-MXWKQRLJSA-N 0 3 296.371 -1.081 20 0 CAADHN CCN1C[C@@H](C)[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000612214123 373698037 /nfs/dbraw/zinc/69/80/37/373698037.db2.gz KOQACHGRKTUSEQ-ZJUUUORDSA-N 0 3 292.405 -1.161 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000612522733 373705342 /nfs/dbraw/zinc/70/53/42/373705342.db2.gz KZWIZCMKEPDBOF-MNOVXSKESA-N 0 3 294.355 -1.360 20 0 CAADHN O=C(NC[C@@H](O)CN1CCCCC1)[C@@H]1CC(=O)N1 ZINC000612659275 373706829 /nfs/dbraw/zinc/70/68/29/373706829.db2.gz NQZSPDPBVNMIRR-ZJUUUORDSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CC(=O)N1 ZINC000612659273 373707984 /nfs/dbraw/zinc/70/79/84/373707984.db2.gz NQZSPDPBVNMIRR-UWVGGRQHSA-N 0 3 255.318 -1.162 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@H](O)CN2CCCCC2)NC1=O ZINC000612657923 373708252 /nfs/dbraw/zinc/70/82/52/373708252.db2.gz DNZBHNGFXTVUEJ-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN c1cnc(N2CCN(C[C@@H]3CNCCO3)CC2)nn1 ZINC000629552115 373776794 /nfs/dbraw/zinc/77/67/94/373776794.db2.gz CQMCWQDGGZSROA-NSHDSACASA-N 0 3 264.333 -1.018 20 0 CAADHN O=C(N1CCNCC1)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000629546128 373776886 /nfs/dbraw/zinc/77/68/86/373776886.db2.gz NEKREGWLAXMGJN-ZDUSSCGKSA-N 0 3 297.403 -1.382 20 0 CAADHN CN1CCC[C@H](NC[C@@H](O)CN2CCOCC2)C1=O ZINC000572834659 373772389 /nfs/dbraw/zinc/77/23/89/373772389.db2.gz UULSOUQCAJXYAA-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN CNC(=O)NC[C@@H]1CN(C[C@H]2CNCCO2)CCO1 ZINC000629554162 373776956 /nfs/dbraw/zinc/77/69/56/373776956.db2.gz BMZQJWNCNKCXAI-GHMZBOCLSA-N 0 3 272.349 -1.395 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2CCCc3c2cnn3CCO)n1 ZINC000623863085 373720860 /nfs/dbraw/zinc/72/08/60/373720860.db2.gz JFFXHPBPCVQFPH-MRVPVSSYSA-N 0 3 290.331 -1.203 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)N1CCCC1 ZINC000058842333 373721891 /nfs/dbraw/zinc/72/18/91/373721891.db2.gz WFENIUJNYOBQMC-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC[C@H](O)CN1CCOCC1 ZINC000515637924 373723875 /nfs/dbraw/zinc/72/38/75/373723875.db2.gz IYTPGCYLMHMSOZ-SDDRHHMPSA-N 0 3 260.334 -1.317 20 0 CAADHN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CCOC1CNC1 ZINC000516293580 373725655 /nfs/dbraw/zinc/72/56/55/373725655.db2.gz JXUVRLCQAYMCCD-ZYHUDNBSSA-N 0 3 286.328 -1.110 20 0 CAADHN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)CCOC1CNC1 ZINC000516293574 373726642 /nfs/dbraw/zinc/72/66/42/373726642.db2.gz JXUVRLCQAYMCCD-CMPLNLGQSA-N 0 3 286.328 -1.110 20 0 CAADHN OC(CN1C[C@@H]2C[C@]2(O)C1)CN1C[C@@H]2C[C@]2(O)C1 ZINC000640484173 373774307 /nfs/dbraw/zinc/77/43/07/373774307.db2.gz ZEMXQEPTQBKQRE-UKJIMTQDSA-N 0 3 254.330 -1.520 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000627468530 373728317 /nfs/dbraw/zinc/72/83/17/373728317.db2.gz XUGKHJKLZDXCFD-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN C[C@H](CN1CCOCC1)NC(=O)COC1CNC1 ZINC000430757000 373738976 /nfs/dbraw/zinc/73/89/76/373738976.db2.gz DSZJMXCSMZOWQD-SNVBAGLBSA-N 0 3 257.334 -1.188 20 0 CAADHN CN1C(=O)CN(CC(=O)N[C@H](CO)CN2CCCC2)C1=O ZINC000640319315 373739152 /nfs/dbraw/zinc/73/91/52/373739152.db2.gz QLUQHEKGUVWHDR-JTQLQIEISA-N 0 3 298.343 -1.547 20 0 CAADHN CNC(=O)[C@]1(C)CCN(CCNS(C)(=O)=O)C1 ZINC000430249737 373739373 /nfs/dbraw/zinc/73/93/73/373739373.db2.gz JNNUFZDXUSNAIL-SNVBAGLBSA-N 0 3 263.363 -1.006 20 0 CAADHN COCCNCC(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000430902566 373739657 /nfs/dbraw/zinc/73/96/57/373739657.db2.gz BWORUOUOWGFORR-NSHDSACASA-N 0 3 286.376 -1.322 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)CNCCOC ZINC000430428973 373739937 /nfs/dbraw/zinc/73/99/37/373739937.db2.gz IHPSVYYGFCCXJS-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1CCS(=O)(=O)N1 ZINC000640320422 373740579 /nfs/dbraw/zinc/74/05/79/373740579.db2.gz QWHOWUXJKCXALO-VHSXEESVSA-N 0 3 291.373 -1.749 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H](CO)CN1CCCC1 ZINC000640321609 373741453 /nfs/dbraw/zinc/74/14/53/373741453.db2.gz IAHARFSVFXUBPC-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H](CO)CN1CCCC1 ZINC000640321604 373742351 /nfs/dbraw/zinc/74/23/51/373742351.db2.gz IAHARFSVFXUBPC-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN Cn1cc(C[C@H](O)C(=O)N[C@@H](CO)CN2CCCC2)cn1 ZINC000640322016 373742514 /nfs/dbraw/zinc/74/25/14/373742514.db2.gz NXPIEOPOHPAOAZ-OLZOCXBDSA-N 0 3 296.371 -1.104 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NS(C)(=O)=O)C1 ZINC000628799752 373744796 /nfs/dbraw/zinc/74/47/96/373744796.db2.gz ITULBQNVIANZLN-VIFPVBQESA-N 0 3 261.347 -1.159 20 0 CAADHN CN1C(=O)N=NC1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000640652335 373775334 /nfs/dbraw/zinc/77/53/34/373775334.db2.gz SRPRHGUUYSEGKY-SECBINFHSA-N 0 3 280.332 -1.473 20 0 CAADHN CNC(=O)NC[C@H]1CN(C[C@H]2CNCCO2)CCO1 ZINC000629554168 373777128 /nfs/dbraw/zinc/77/71/28/373777128.db2.gz BMZQJWNCNKCXAI-MNOVXSKESA-N 0 3 272.349 -1.395 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000628917001 373750391 /nfs/dbraw/zinc/75/03/91/373750391.db2.gz IPGOMKTYWNQWAC-CHWSQXEVSA-N 0 3 282.388 -1.177 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1CN2CCN1CCC2 ZINC000640324194 373753510 /nfs/dbraw/zinc/75/35/10/373753510.db2.gz ZDBLMHWRBNNBAN-UONOGXRCSA-N 0 3 296.415 -1.051 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CN2CCN1CCC2 ZINC000640324192 373753947 /nfs/dbraw/zinc/75/39/47/373753947.db2.gz ZDBLMHWRBNNBAN-KGLIPLIRSA-N 0 3 296.415 -1.051 20 0 CAADHN O=C(CN1CCCNC1=O)N[C@H](CO)CN1CCCC1 ZINC000640324478 373754324 /nfs/dbraw/zinc/75/43/24/373754324.db2.gz HUGUPEOPULFBCX-NSHDSACASA-N 0 3 284.360 -1.025 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN(C)CCOC ZINC000434879554 373755955 /nfs/dbraw/zinc/75/59/55/373755955.db2.gz JVEICFOIJKQCEL-UHFFFAOYSA-N 0 3 267.351 -1.770 20 0 CAADHN O=C(NCCN1CC[C@@H](O)C1)[C@H]1CN2CCN1CCC2 ZINC000629173364 373758306 /nfs/dbraw/zinc/75/83/06/373758306.db2.gz RIWVSUOZOTTWGB-CHWSQXEVSA-N 0 3 282.388 -1.441 20 0 CAADHN O=C(NCCN1CC[C@@H](O)C1)[C@@H]1CN2CCN1CCC2 ZINC000629173368 373758626 /nfs/dbraw/zinc/75/86/26/373758626.db2.gz RIWVSUOZOTTWGB-OLZOCXBDSA-N 0 3 282.388 -1.441 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCOC[C@H]2O)CC1=O ZINC000629233052 373761497 /nfs/dbraw/zinc/76/14/97/373761497.db2.gz PCCOENVQAWPYLG-IJLUTSLNSA-N 0 3 299.371 -1.338 20 0 CAADHN O=C(N[C@@H]1CCOC[C@H]1O)[C@H]1CN2CCN1CCC2 ZINC000629247016 373762847 /nfs/dbraw/zinc/76/28/47/373762847.db2.gz VXGWZXFXZWAOTN-IJLUTSLNSA-N 0 3 269.345 -1.358 20 0 CAADHN CNC(=O)NC[C@H]1CN(C[C@@H]2CNCCO2)CCO1 ZINC000629554169 373776339 /nfs/dbraw/zinc/77/63/39/373776339.db2.gz BMZQJWNCNKCXAI-QWRGUYRKSA-N 0 3 272.349 -1.395 20 0 CAADHN CN(C(=O)[C@@H](N)CC(N)=O)[C@H]1CCN(C2CC2)C1 ZINC000438882085 373763368 /nfs/dbraw/zinc/76/33/68/373763368.db2.gz HZPBLUJRACKWIS-UWVGGRQHSA-N 0 3 254.334 -1.116 20 0 CAADHN C[C@H]1CCN(CCNC(=O)CN2CCNCC2=O)C1 ZINC000572486812 373764388 /nfs/dbraw/zinc/76/43/88/373764388.db2.gz KXQCTJQWOYQIJT-NSHDSACASA-N 0 3 268.361 -1.124 20 0 CAADHN CN1CCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC000629450812 373766554 /nfs/dbraw/zinc/76/65/54/373766554.db2.gz CUVANQBAMAGWES-QMMMGPOBSA-N 0 3 266.305 -1.413 20 0 CAADHN NC(=O)C[C@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCO1 ZINC000629395690 373766811 /nfs/dbraw/zinc/76/68/11/373766811.db2.gz PUAWYRJALIMYTO-NWDGAFQWSA-N 0 3 296.371 -1.521 20 0 CAADHN CN1CCC[C@H]1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000629453682 373767968 /nfs/dbraw/zinc/76/79/68/373767968.db2.gz CWWWBMYPQZQRTN-IRCOFANPSA-N 0 3 270.329 -1.390 20 0 CAADHN CN1CCC[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000629452534 373768078 /nfs/dbraw/zinc/76/80/78/373768078.db2.gz TXELZUAVBFOWKY-IUCAKERBSA-N 0 3 261.347 -1.112 20 0 CAADHN COC[C@H](CS(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)OC ZINC000641395406 373804006 /nfs/dbraw/zinc/80/40/06/373804006.db2.gz XSPCUPFVLWWXNL-MNOVXSKESA-N 0 3 298.405 -1.120 20 0 CAADHN COC[C@H](CS(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)OC ZINC000641395405 373804890 /nfs/dbraw/zinc/80/48/90/373804890.db2.gz XSPCUPFVLWWXNL-GHMZBOCLSA-N 0 3 298.405 -1.120 20 0 CAADHN CN(C)[C@H]1CN(c2nccnc2C(N)=O)C[C@@H]1O ZINC000641620137 373809755 /nfs/dbraw/zinc/80/97/55/373809755.db2.gz DCUOAJAMVGDVBY-YUMQZZPRSA-N 0 3 251.290 -1.313 20 0 CAADHN CN(C)CCN1CCN(c2cc(C(N)=O)ncn2)CC1=O ZINC000641650612 373812864 /nfs/dbraw/zinc/81/28/64/373812864.db2.gz TWGPOHJLTAZKKU-UHFFFAOYSA-N 0 3 292.343 -1.214 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)Cn1cnnn1 ZINC000069577707 373814207 /nfs/dbraw/zinc/81/42/07/373814207.db2.gz DJPHKZWZUZQURT-SNVBAGLBSA-N 0 3 268.321 -1.100 20 0 CAADHN COCCNCCNC(=O)NC[C@@H]1COCCN1C ZINC000627082433 373839159 /nfs/dbraw/zinc/83/91/59/373839159.db2.gz ILYRNHXWZONRFV-LLVKDONJSA-N 0 3 274.365 -1.148 20 0 CAADHN CC1(C)CNCCN1S(=O)(=O)C[C@@H]1CNCCO1 ZINC000631906399 373820159 /nfs/dbraw/zinc/82/01/59/373820159.db2.gz LOHHWRDOTIENJM-JTQLQIEISA-N 0 3 277.390 -1.012 20 0 CAADHN Cn1cnnc1S(=O)(=O)[N-]CCN1CC[NH2+]CC1 ZINC000631902402 373820352 /nfs/dbraw/zinc/82/03/52/373820352.db2.gz YQRNJIQOWOZVGV-UHFFFAOYSA-N 0 3 274.350 -2.001 20 0 CAADHN CCOC(=O)N1CCCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000496858468 373820757 /nfs/dbraw/zinc/82/07/57/373820757.db2.gz PVAWJFZIQXNXPW-UHFFFAOYSA-N 0 3 298.343 -1.235 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)NC2CNC2)C1 ZINC000631904271 373821144 /nfs/dbraw/zinc/82/11/44/373821144.db2.gz IWZGRUAGIZSGLJ-MRVPVSSYSA-N 0 3 297.402 -1.841 20 0 CAADHN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)NC2CNC2)C1 ZINC000631904272 373821678 /nfs/dbraw/zinc/82/16/78/373821678.db2.gz IWZGRUAGIZSGLJ-QMMMGPOBSA-N 0 3 297.402 -1.841 20 0 CAADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000642222637 373822523 /nfs/dbraw/zinc/82/25/23/373822523.db2.gz LFKTVJICVRIZTN-GFCCVEGCSA-N 0 3 298.387 -1.453 20 0 CAADHN Nc1nc(N)nc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1 ZINC000623797526 373828437 /nfs/dbraw/zinc/82/84/37/373828437.db2.gz XEQJLUVPDRNVQZ-MRVPVSSYSA-N 0 3 293.331 -1.476 20 0 CAADHN C[C@H](CN1CCN(C)CC1)NC(=O)NC[C@@H]1COCCN1 ZINC000626972925 373828773 /nfs/dbraw/zinc/82/87/73/373828773.db2.gz RDACCWVTNJHDSP-CHWSQXEVSA-N 0 3 299.419 -1.090 20 0 CAADHN CN(C)CCOCCNC(=O)C1(n2cnnn2)CC1 ZINC000613285053 373828853 /nfs/dbraw/zinc/82/88/53/373828853.db2.gz LJDCBWWUZBUVOJ-UHFFFAOYSA-N 0 3 268.321 -1.143 20 0 CAADHN CN1CCC(CCO)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000613301090 373829865 /nfs/dbraw/zinc/82/98/65/373829865.db2.gz OVCGFWUHAJUVLQ-VIFPVBQESA-N 0 3 298.343 -1.453 20 0 CAADHN CN1C[C@H](C(=O)NC2(CCO)CCN(C)CC2)NC1=O ZINC000613299468 373829890 /nfs/dbraw/zinc/82/98/90/373829890.db2.gz CLGZFDHIAKQGIY-SNVBAGLBSA-N 0 3 284.360 -1.027 20 0 CAADHN CN1CC[C@H]2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)[C@H]2C1 ZINC000613329569 373830135 /nfs/dbraw/zinc/83/01/35/373830135.db2.gz RUBOCLMJLSUNPM-DDNMXHNFSA-N 0 3 296.367 -1.048 20 0 CAADHN CN1CC[C@@H]2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)[C@@H]2C1 ZINC000613329572 373830554 /nfs/dbraw/zinc/83/05/54/373830554.db2.gz RUBOCLMJLSUNPM-DKTYCGPESA-N 0 3 296.367 -1.048 20 0 CAADHN CN1CC[C@@H]2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)[C@H]2C1 ZINC000613329573 373830984 /nfs/dbraw/zinc/83/09/84/373830984.db2.gz RUBOCLMJLSUNPM-RHZHCTOVSA-N 0 3 296.367 -1.048 20 0 CAADHN O=C(NCCN1CCCOCC1)NC[C@H]1COCCN1 ZINC000627044211 373834007 /nfs/dbraw/zinc/83/40/07/373834007.db2.gz CKPBAHGSHQLNRX-LBPRGKRZSA-N 0 3 286.376 -1.004 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(C)(C)N ZINC000629606237 373778524 /nfs/dbraw/zinc/77/85/24/373778524.db2.gz AQMKLWWQXHZEBN-SNVBAGLBSA-N 0 3 259.350 -1.125 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(C)(C)N ZINC000629606236 373778925 /nfs/dbraw/zinc/77/89/25/373778925.db2.gz AQMKLWWQXHZEBN-JTQLQIEISA-N 0 3 259.350 -1.125 20 0 CAADHN CS(=O)(=O)NC[C@@H]1COCCN1C[C@H]1CNCCO1 ZINC000629585715 373779243 /nfs/dbraw/zinc/77/92/43/373779243.db2.gz CYEJEKOACMLPDJ-GHMZBOCLSA-N 0 3 293.389 -1.775 20 0 CAADHN CN[C@@H](C)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000629606888 373782441 /nfs/dbraw/zinc/78/24/41/373782441.db2.gz OOBKUOSQWGOJJZ-WDEREUQCSA-N 0 3 259.350 -1.254 20 0 CAADHN COCCNCC(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000629606870 373782481 /nfs/dbraw/zinc/78/24/81/373782481.db2.gz NUSSSBRVSXQVPT-LBPRGKRZSA-N 0 3 289.376 -1.626 20 0 CAADHN CN(C)S(=O)(=O)N1CC(NCC2(O)CCC2)C1 ZINC000629615007 373782501 /nfs/dbraw/zinc/78/25/01/373782501.db2.gz KYEYPTVRQKZENG-UHFFFAOYSA-N 0 3 263.363 -1.018 20 0 CAADHN O=C(CNC(=O)NCCN1CC[C@H](O)C1)N1CCNCC1 ZINC000627064806 373837336 /nfs/dbraw/zinc/83/73/36/373837336.db2.gz WYADFVQWTVUNSC-NSHDSACASA-N 0 3 299.375 -2.216 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN(CCOC)CC1 ZINC000629789699 373783974 /nfs/dbraw/zinc/78/39/74/373783974.db2.gz WRGNUSAHTZOGMR-UHFFFAOYSA-N 0 3 286.376 -1.416 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN(CC)CC1 ZINC000629784324 373784007 /nfs/dbraw/zinc/78/40/07/373784007.db2.gz MRKLAYJDMFRJHO-UHFFFAOYSA-N 0 3 256.350 -1.042 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCO[C@@H](C(=O)NC)C1 ZINC000629801747 373785770 /nfs/dbraw/zinc/78/57/70/373785770.db2.gz HRGAXGJQCHZHHM-SECBINFHSA-N 0 3 286.332 -2.233 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000629798727 373785820 /nfs/dbraw/zinc/78/58/20/373785820.db2.gz VPQKWTDNEZNGKB-UHFFFAOYSA-N 0 3 282.344 -1.373 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000629800006 373785953 /nfs/dbraw/zinc/78/59/53/373785953.db2.gz WGMVAPKDOCXJKD-VIFPVBQESA-N 0 3 270.333 -1.517 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN(CC)C(=O)C1 ZINC000629799438 373785970 /nfs/dbraw/zinc/78/59/70/373785970.db2.gz QBXZNNQMLIJZRQ-UHFFFAOYSA-N 0 3 270.333 -1.516 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000629804002 373786019 /nfs/dbraw/zinc/78/60/19/373786019.db2.gz RMLOXUDCEFUJEU-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCOC[C@H]1C[C@@H](C)O ZINC000629803662 373786050 /nfs/dbraw/zinc/78/60/50/373786050.db2.gz PBDRLQYOUVEGND-GHMZBOCLSA-N 0 3 287.360 -1.208 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCCN(CC)C(=O)C1 ZINC000629802667 373786573 /nfs/dbraw/zinc/78/65/73/373786573.db2.gz OGJUXACHALILEC-UHFFFAOYSA-N 0 3 284.360 -1.126 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000629805226 373786746 /nfs/dbraw/zinc/78/67/46/373786746.db2.gz LJIRYFJYOZOMBP-GFCCVEGCSA-N 0 3 298.387 -1.273 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000629805039 373787045 /nfs/dbraw/zinc/78/70/45/373787045.db2.gz JFLLOFKXMGEFDL-WDEREUQCSA-N 0 3 284.360 -1.929 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCO[C@H]([C@@H](C)O)C1 ZINC000629806092 373788894 /nfs/dbraw/zinc/78/88/94/373788894.db2.gz UPZDAGJJULQQRI-ZJUUUORDSA-N 0 3 273.333 -1.598 20 0 CAADHN CCOC[C@H]1CN(C(=O)C(=O)N(C)CCN)CCO1 ZINC000629817611 373788987 /nfs/dbraw/zinc/78/89/87/373788987.db2.gz RKJFXAINCYSEOH-SNVBAGLBSA-N 0 3 273.333 -1.333 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)NCC(=O)N1CCNCC1 ZINC000627064651 373837680 /nfs/dbraw/zinc/83/76/80/373837680.db2.gz VNUIRYVLLLQCSR-LLVKDONJSA-N 0 3 283.376 -1.188 20 0 CAADHN CCN1CCN(CC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC000629914569 373789850 /nfs/dbraw/zinc/78/98/50/373789850.db2.gz XOGACFOEMKPUNK-ZDUSSCGKSA-N 0 3 284.404 -1.193 20 0 CAADHN O=C(NCCN1CC[C@H](O)C1)[C@@H]1CN2CCN1CCC2 ZINC000629915305 373791485 /nfs/dbraw/zinc/79/14/85/373791485.db2.gz RIWVSUOZOTTWGB-STQMWFEESA-N 0 3 282.388 -1.441 20 0 CAADHN O=C(N[C@@H]1COCC[C@H]1O)[C@@H]1CN2CCN1CCC2 ZINC000634463944 373798045 /nfs/dbraw/zinc/79/80/45/373798045.db2.gz SFFLPOPHAFIBKR-GRYCIOLGSA-N 0 3 269.345 -1.358 20 0 CAADHN O=C(N[C@@H]1COCC[C@H]1O)[C@H]1CN2CCN1CCC2 ZINC000634463945 373798770 /nfs/dbraw/zinc/79/87/70/373798770.db2.gz SFFLPOPHAFIBKR-IJLUTSLNSA-N 0 3 269.345 -1.358 20 0 CAADHN C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000627242288 373881392 /nfs/dbraw/zinc/88/13/92/373881392.db2.gz PLBISIDRSLIOIO-DJLDLDEBSA-N 0 3 281.316 -1.318 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)CN1CC(=O)N(C)C1=O ZINC000627243114 373885904 /nfs/dbraw/zinc/88/59/04/373885904.db2.gz BFYDRXUGSBYNSW-QMMMGPOBSA-N 0 3 256.306 -1.053 20 0 CAADHN CN1C[C@H](C(=O)N[C@H](CO)CN2CCCCC2)NC1=O ZINC000614659672 373889844 /nfs/dbraw/zinc/88/98/44/373889844.db2.gz CFHSLTNMZHPJBE-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627261755 373891982 /nfs/dbraw/zinc/89/19/82/373891982.db2.gz CLJYJGAWELZDEM-FRRDWIJNSA-N 0 3 283.372 -1.016 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627261756 373892073 /nfs/dbraw/zinc/89/20/73/373892073.db2.gz CLJYJGAWELZDEM-JHJVBQTASA-N 0 3 283.372 -1.016 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000627261757 373892600 /nfs/dbraw/zinc/89/26/00/373892600.db2.gz CLJYJGAWELZDEM-RWMBFGLXSA-N 0 3 283.372 -1.016 20 0 CAADHN C[N@@H+]1CC[C@@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)C1 ZINC000538708818 373894346 /nfs/dbraw/zinc/89/43/46/373894346.db2.gz RUIPKIQULNYWIT-BDAKNGLRSA-N 0 3 266.301 -1.299 20 0 CAADHN C[N@H+]1CC[C@@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)C1 ZINC000538708818 373894352 /nfs/dbraw/zinc/89/43/52/373894352.db2.gz RUIPKIQULNYWIT-BDAKNGLRSA-N 0 3 266.301 -1.299 20 0 CAADHN CCN(CC)S(=O)(=O)CC(=O)NC[C@H]1CNCCO1 ZINC000564209429 373894708 /nfs/dbraw/zinc/89/47/08/373894708.db2.gz QPLJQGKIXLXNEL-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CCN(C)CCNC(=O)CCNS(C)(=O)=O ZINC000066958735 373894722 /nfs/dbraw/zinc/89/47/22/373894722.db2.gz LXEZAWFSHBEMLC-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1nc2n(n1)CCCN2 ZINC000614845592 373895740 /nfs/dbraw/zinc/89/57/40/373895740.db2.gz CGRGCWAIVIUQKQ-MRVPVSSYSA-N 0 3 268.321 -1.997 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H](O)C1CCOCC1 ZINC000614845752 373895908 /nfs/dbraw/zinc/89/59/08/373895908.db2.gz DRUKIFYHCGUKHZ-WDEREUQCSA-N 0 3 260.334 -1.187 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)COCc1ccnn1C ZINC000614846860 373895941 /nfs/dbraw/zinc/89/59/41/373895941.db2.gz IUSUYYWCVHFZIE-JTQLQIEISA-N 0 3 270.333 -1.025 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000614849356 373896159 /nfs/dbraw/zinc/89/61/59/373896159.db2.gz XPJCMHFHKNEQCP-BQBZGAKWSA-N 0 3 258.278 -2.377 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC000614848101 373896237 /nfs/dbraw/zinc/89/62/37/373896237.db2.gz PLMHABALIVIINA-VIFPVBQESA-N 0 3 296.393 -2.237 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000614849207 373896518 /nfs/dbraw/zinc/89/65/18/373896518.db2.gz VZFHYNYWWNBRCE-RKDXNWHRSA-N 0 3 282.348 -1.751 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCCCCS(N)(=O)=O ZINC000614848994 373896531 /nfs/dbraw/zinc/89/65/31/373896531.db2.gz UTQLVZIMSBZAHW-JTQLQIEISA-N 0 3 295.405 -1.126 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1C(N)=O ZINC000614845370 373896553 /nfs/dbraw/zinc/89/65/53/373896553.db2.gz CMYAVVBFRGISEL-BDAKNGLRSA-N 0 3 258.322 -1.432 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CNS(=O)(=O)N(C)C ZINC000614848652 373896584 /nfs/dbraw/zinc/89/65/84/373896584.db2.gz RRLAJJWSIRRBLU-QMMMGPOBSA-N 0 3 282.366 -2.579 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](CO)CN(C)C ZINC000614849335 373896596 /nfs/dbraw/zinc/89/65/96/373896596.db2.gz XIKZJZDFXNFVKW-DTWKUNHWSA-N 0 3 281.378 -1.647 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC000614847466 373896623 /nfs/dbraw/zinc/89/66/23/373896623.db2.gz LSSGPQBLZVMZBR-BXKDBHETSA-N 0 3 257.334 -1.059 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H](CO)CN(C)C ZINC000614848091 373896873 /nfs/dbraw/zinc/89/68/73/373896873.db2.gz PFJMFBDJWBRZKU-ZETCQYMHSA-N 0 3 268.339 -2.921 20 0 CAADHN O=C(CN1CCOCC1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000627265549 373896905 /nfs/dbraw/zinc/89/69/05/373896905.db2.gz KCSMWLKITHYULH-VXGBXAGGSA-N 0 3 297.355 -1.487 20 0 CAADHN CCN1CCO[C@@H](C(=O)N[C@@H](CO)CN(C)C)C1 ZINC000614844891 373896927 /nfs/dbraw/zinc/89/69/27/373896927.db2.gz ANWRZEDKKYTWSW-GHMZBOCLSA-N 0 3 259.350 -1.254 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCCCCS(N)(=O)=O ZINC000614848995 373896960 /nfs/dbraw/zinc/89/69/60/373896960.db2.gz UTQLVZIMSBZAHW-SNVBAGLBSA-N 0 3 295.405 -1.126 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCc2nncn2C1 ZINC000614847364 373897047 /nfs/dbraw/zinc/89/70/47/373897047.db2.gz KRUVGIHRRJDMOO-ZJUUUORDSA-N 0 3 267.333 -1.121 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000614849596 373897080 /nfs/dbraw/zinc/89/70/80/373897080.db2.gz YIUZTCGGTQJWDP-ZJUUUORDSA-N 0 3 281.360 -1.041 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614850504 373897915 /nfs/dbraw/zinc/89/79/15/373897915.db2.gz ZEKOQRZEMSTVKP-GHMZBOCLSA-N 0 3 273.333 -1.728 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CNC(=O)c1ccncc1 ZINC000614853235 373898318 /nfs/dbraw/zinc/89/83/18/373898318.db2.gz VBBDSAZCGYVBAW-NSHDSACASA-N 0 3 280.328 -1.150 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](CO)CN(C)C)CCC1 ZINC000614852033 373898704 /nfs/dbraw/zinc/89/87/04/373898704.db2.gz FTZLCAODIAUXCC-VIFPVBQESA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000614853610 373898828 /nfs/dbraw/zinc/89/88/28/373898828.db2.gz ZVBJTLSROKMHDD-QWRGUYRKSA-N 0 3 270.333 -1.638 20 0 CAADHN CCN1C[C@H](C(=O)N[C@@H](CO)CN(C)C)CC1=O ZINC000614854743 373898903 /nfs/dbraw/zinc/89/89/03/373898903.db2.gz RRZHFUQLHYSGSW-NXEZZACHSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H](O)Cc1cnn(C)c1 ZINC000614853608 373898913 /nfs/dbraw/zinc/89/89/13/373898913.db2.gz ZVBJTLSROKMHDD-GHMZBOCLSA-N 0 3 270.333 -1.638 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1ccc2nnnn2c1 ZINC000614850085 373898973 /nfs/dbraw/zinc/89/89/73/373898973.db2.gz RVTAKSQALBELBJ-SECBINFHSA-N 0 3 264.289 -1.223 20 0 CAADHN CCN1C[C@@H](C(=O)N[C@@H](CO)CN(C)C)CC1=O ZINC000614854745 373899041 /nfs/dbraw/zinc/89/90/41/373899041.db2.gz RRZHFUQLHYSGSW-VHSXEESVSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000614851919 373899074 /nfs/dbraw/zinc/89/90/74/373899074.db2.gz MKFFOMLOCHJVFH-RISCZKNCSA-N 0 3 297.355 -1.362 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CNC(=O)c1ccncc1 ZINC000614853234 373899090 /nfs/dbraw/zinc/89/90/90/373899090.db2.gz VBBDSAZCGYVBAW-LLVKDONJSA-N 0 3 280.328 -1.150 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000614849595 373899132 /nfs/dbraw/zinc/89/91/32/373899132.db2.gz YIUZTCGGTQJWDP-VHSXEESVSA-N 0 3 281.360 -1.041 20 0 CAADHN CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H](CO)CN(C)C ZINC000614851715 373899232 /nfs/dbraw/zinc/89/92/32/373899232.db2.gz KSWLAZGQAYNBHI-UWVGGRQHSA-N 0 3 295.405 -1.401 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614849829 373899261 /nfs/dbraw/zinc/89/92/61/373899261.db2.gz PEHWCUIZPJPFIS-MNOVXSKESA-N 0 3 259.350 -1.254 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cccc(C(N)=O)n1 ZINC000614853512 373899287 /nfs/dbraw/zinc/89/92/87/373899287.db2.gz XVBSKZNIEKVIQD-MRVPVSSYSA-N 0 3 266.301 -1.167 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1CCN(C)C(=O)C1 ZINC000614851902 373899341 /nfs/dbraw/zinc/89/93/41/373899341.db2.gz MFNFBEYAOBWYNP-SNVBAGLBSA-N 0 3 272.349 -2.201 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000614860744 373900473 /nfs/dbraw/zinc/90/04/73/373900473.db2.gz VFXIBLPWHQNOPI-ZJUUUORDSA-N 0 3 272.349 -1.184 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1nc2ncccn2n1 ZINC000614858904 373900576 /nfs/dbraw/zinc/90/05/76/373900576.db2.gz MAJNXGJFOQWHKN-MRVPVSSYSA-N 0 3 264.289 -1.223 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1nc2ncccn2n1 ZINC000614858905 373900592 /nfs/dbraw/zinc/90/05/92/373900592.db2.gz MAJNXGJFOQWHKN-QMMMGPOBSA-N 0 3 264.289 -1.223 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000614857695 373900609 /nfs/dbraw/zinc/90/06/09/373900609.db2.gz JDIWSCPUEWDOOW-IUCAKERBSA-N 0 3 279.362 -1.941 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000614857696 373900695 /nfs/dbraw/zinc/90/06/95/373900695.db2.gz JDIWSCPUEWDOOW-RKDXNWHRSA-N 0 3 279.362 -1.941 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1CCCNC1=O ZINC000614855832 373900712 /nfs/dbraw/zinc/90/07/12/373900712.db2.gz ZRJZFUBWHBIANP-VIFPVBQESA-N 0 3 258.322 -1.560 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000627103212 373840953 /nfs/dbraw/zinc/84/09/53/373840953.db2.gz GMUKSPIIHWPFNQ-MNOVXSKESA-N 0 3 272.349 -1.395 20 0 CAADHN CN(C(=O)NC[C@@H]1CNCCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000627102893 373841255 /nfs/dbraw/zinc/84/12/55/373841255.db2.gz ABXRMQLYARRCGE-AEJSXWLSSA-N 0 3 270.333 -1.120 20 0 CAADHN CCN(CCN)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000627113340 373841394 /nfs/dbraw/zinc/84/13/94/373841394.db2.gz VZAYQJCRCLWFCR-BDAKNGLRSA-N 0 3 279.362 -1.211 20 0 CAADHN C[C@@]1(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCNC1=O ZINC000630078294 373841438 /nfs/dbraw/zinc/84/14/38/373841438.db2.gz ZEZXUDRVPGPRKQ-OPQQBVKSSA-N 0 3 267.329 -1.210 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000627103210 373841622 /nfs/dbraw/zinc/84/16/22/373841622.db2.gz GMUKSPIIHWPFNQ-GHMZBOCLSA-N 0 3 272.349 -1.395 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)NC[C@@H]1CNCCO1 ZINC000627103213 373841693 /nfs/dbraw/zinc/84/16/93/373841693.db2.gz GMUKSPIIHWPFNQ-QWRGUYRKSA-N 0 3 272.349 -1.395 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000614856800 373900767 /nfs/dbraw/zinc/90/07/67/373900767.db2.gz CIDWOTANYCWVPW-SFYZADRCSA-N 0 3 265.335 -2.283 20 0 CAADHN NC(=O)[C@H]1C[C@H](NC(=O)N2CCOC3(CNC3)C2)C1 ZINC000627156952 373843874 /nfs/dbraw/zinc/84/38/74/373843874.db2.gz LXELPHSOIAMEQB-KYZUINATSA-N 0 3 268.317 -1.366 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000614858916 373900840 /nfs/dbraw/zinc/90/08/40/373900840.db2.gz MDFCWNXMRKZUOI-VHSXEESVSA-N 0 3 293.389 -1.551 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1ccn2nnnc2c1 ZINC000614859156 373900956 /nfs/dbraw/zinc/90/09/56/373900956.db2.gz PHSKQGSBWGUCFV-SECBINFHSA-N 0 3 264.289 -1.223 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCc2nnnn2CC1 ZINC000614857775 373900981 /nfs/dbraw/zinc/90/09/81/373900981.db2.gz JXCYZOXLXJNRQP-UWVGGRQHSA-N 0 3 282.348 -1.336 20 0 CAADHN CCN(CCO)CCNC(=O)NC[C@@H]1COCCN1 ZINC000627189952 373847129 /nfs/dbraw/zinc/84/71/29/373847129.db2.gz NXYHTUPFBMFRCY-LLVKDONJSA-N 0 3 274.365 -1.412 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1(CO)CCOCC1 ZINC000614856992 373901178 /nfs/dbraw/zinc/90/11/78/373901178.db2.gz DVVWAPQONCNMRJ-JTQLQIEISA-N 0 3 260.334 -1.186 20 0 CAADHN O=C(NC[C@H]1COCCN1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627190501 373847551 /nfs/dbraw/zinc/84/75/51/373847551.db2.gz NVADJSWLVMUZNB-SDDRHHMPSA-N 0 3 284.360 -1.565 20 0 CAADHN O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1COCCN1 ZINC000627191889 373847624 /nfs/dbraw/zinc/84/76/24/373847624.db2.gz JASREXSLHRZDDO-WDEREUQCSA-N 0 3 272.349 -1.659 20 0 CAADHN O=C(NC[C@@H]1COCCN1)NC[C@H]1COCCN1 ZINC000627192221 373848039 /nfs/dbraw/zinc/84/80/39/373848039.db2.gz QQVCAGAXLQIWGH-AOOOYVTPSA-N 0 3 258.322 -1.738 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2nc3ncccn3n2)C1 ZINC000613522951 373849650 /nfs/dbraw/zinc/84/96/50/373849650.db2.gz OZQPRYLMKJJWFL-GFCCVEGCSA-N 0 3 276.300 -1.079 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)[C@@H]2CCN=C3C2=NNN3C)C1 ZINC000613523561 373849709 /nfs/dbraw/zinc/84/97/09/373849709.db2.gz WCLPKIJMRTZOKO-NOZJJQNGSA-N 0 3 294.359 -1.606 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000613521574 373849723 /nfs/dbraw/zinc/84/97/23/373849723.db2.gz FTDRXAFEHFBODZ-ONGXEEELSA-N 0 3 293.389 -1.503 20 0 CAADHN CCC[C@H](C(=O)NC[C@@]1(O)CCN(C)C1)S(N)(=O)=O ZINC000613521358 373849989 /nfs/dbraw/zinc/84/99/89/373849989.db2.gz CXAGOAJJZVJAMG-KOLCDFICSA-N 0 3 293.389 -1.374 20 0 CAADHN CN1CC[C@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000613523381 373850127 /nfs/dbraw/zinc/85/01/27/373850127.db2.gz SQRFOTFHZXWZHK-KWQFWETISA-N 0 3 256.306 -1.807 20 0 CAADHN Cc1nn(CC(=O)N[C@H](CO)CN(C)C)c(=O)n1C ZINC000614858979 373901245 /nfs/dbraw/zinc/90/12/45/373901245.db2.gz NHEHWVIXLWDISB-VIFPVBQESA-N 0 3 271.321 -2.071 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1(n2cnnn2)CC1 ZINC000614859173 373901263 /nfs/dbraw/zinc/90/12/63/373901263.db2.gz PUPQSVXCQOVFIH-MRVPVSSYSA-N 0 3 254.294 -1.799 20 0 CAADHN CCOC(=O)[C@](C)(O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000613565802 373851577 /nfs/dbraw/zinc/85/15/77/373851577.db2.gz GCFUTBUKGOLOBN-SMDDNHRTSA-N 0 3 299.371 -1.193 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H](C)NS(=O)(=O)CC ZINC000613581297 373852888 /nfs/dbraw/zinc/85/28/88/373852888.db2.gz BQTVXZNEKVIAQM-JTQLQIEISA-N 0 3 295.405 -1.255 20 0 CAADHN CN(CC(=O)N1CCOCC1)c1nc(N)nc(N)n1 ZINC000623800252 373853120 /nfs/dbraw/zinc/85/31/20/373853120.db2.gz AMJKEQJCKKGFOU-UHFFFAOYSA-N 0 3 267.293 -2.008 20 0 CAADHN CCC[C@@H](C(=O)NCCN(CC)CCO)S(N)(=O)=O ZINC000613583943 373853468 /nfs/dbraw/zinc/85/34/68/373853468.db2.gz YDSXOKMJVOMCPX-JTQLQIEISA-N 0 3 295.405 -1.126 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H](C)NS(=O)(=O)CC ZINC000613581298 373854052 /nfs/dbraw/zinc/85/40/52/373854052.db2.gz BQTVXZNEKVIAQM-SNVBAGLBSA-N 0 3 295.405 -1.255 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CCN=C2C1=NNN2C ZINC000613581588 373854505 /nfs/dbraw/zinc/85/45/05/373854505.db2.gz DMPAQVMNAVNMOZ-JTQLQIEISA-N 0 3 296.375 -1.359 20 0 CAADHN Nc1nc(N)nc(N2CCN(C[C@@H]3CCCO3)CC2)n1 ZINC000623800752 373854607 /nfs/dbraw/zinc/85/46/07/373854607.db2.gz ZGUXPKGGOIVEKD-VIFPVBQESA-N 0 3 279.348 -1.002 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000613581589 373854665 /nfs/dbraw/zinc/85/46/65/373854665.db2.gz DMPAQVMNAVNMOZ-SNVBAGLBSA-N 0 3 296.375 -1.359 20 0 CAADHN O=C(C[C@H]1CSCCN1)NCCn1ncnn1 ZINC000379760790 373855670 /nfs/dbraw/zinc/85/56/70/373855670.db2.gz DIDNVSAGRYCPBD-QMMMGPOBSA-N 0 3 256.335 -1.116 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1ccc(-n2cnnn2)cn1 ZINC000614859102 373901543 /nfs/dbraw/zinc/90/15/43/373901543.db2.gz OCDRGMVJLKCZHE-SECBINFHSA-N 0 3 291.315 -1.290 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1ccc(-n2cnnn2)cn1 ZINC000614859103 373901565 /nfs/dbraw/zinc/90/15/65/373901565.db2.gz OCDRGMVJLKCZHE-VIFPVBQESA-N 0 3 291.315 -1.290 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1(n2cnnn2)CCOCC1 ZINC000614858309 373901760 /nfs/dbraw/zinc/90/17/60/373901760.db2.gz HQCWJRSAOQMGLY-JTQLQIEISA-N 0 3 298.347 -1.783 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001193156104 781963424 /nfs/dbraw/zinc/96/34/24/781963424.db2.gz BIXIREHTQCRVJI-MVWJERBFSA-N 0 3 299.371 -1.291 20 0 CAADHN Cc1nnc2n1C[C@@H](C(=O)N[C@@H](CO)CN(C)C)N(C)C2 ZINC000614859424 373901920 /nfs/dbraw/zinc/90/19/20/373901920.db2.gz ZGVGIGBDJZLUJX-MNOVXSKESA-N 0 3 296.375 -1.561 20 0 CAADHN CN(C)C[C@@]1(O)CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000614071329 373868146 /nfs/dbraw/zinc/86/81/46/373868146.db2.gz PVSYOCUYGAFLAT-MFKMUULPSA-N 0 3 284.360 -1.075 20 0 CAADHN CN(C)C[C@]1(O)CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000614071327 373868314 /nfs/dbraw/zinc/86/83/14/373868314.db2.gz PVSYOCUYGAFLAT-GXFFZTMASA-N 0 3 284.360 -1.075 20 0 CAADHN CN(C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC(=O)N2)C1 ZINC000614071351 373868745 /nfs/dbraw/zinc/86/87/45/373868745.db2.gz VALDNLMHKREWCI-JOYOIKCWSA-N 0 3 255.318 -1.210 20 0 CAADHN CN(C)CC1(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CCC1 ZINC000614400002 373876580 /nfs/dbraw/zinc/87/65/80/373876580.db2.gz STAJBWVJPJDZDF-IJLUTSLNSA-N 0 3 284.356 -1.000 20 0 CAADHN CC[C@@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC ZINC000566162860 373943399 /nfs/dbraw/zinc/94/33/99/373943399.db2.gz JJJLHGSKPOCODQ-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC1(C(N)=O)CN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000567950058 373964218 /nfs/dbraw/zinc/96/42/18/373964218.db2.gz BZYUCYQQPPPUST-JTQLQIEISA-N 0 3 266.345 -1.290 20 0 CAADHN CCN1C[C@@H](C(=O)NC[C@H]2CNCCO2)CC1=O ZINC000566104631 373944381 /nfs/dbraw/zinc/94/43/81/373944381.db2.gz VINMMZKHDONPQV-VHSXEESVSA-N 0 3 255.318 -1.041 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N2CCN(C)C[C@@H]2CN)C1=O ZINC000567892564 373964246 /nfs/dbraw/zinc/96/42/46/373964246.db2.gz OZNZTTDVGPCUCL-QMMMGPOBSA-N 0 3 297.315 -2.492 20 0 CAADHN NC(=O)NC(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000567893076 373964423 /nfs/dbraw/zinc/96/44/23/373964423.db2.gz QOOBIUIKBOJZBH-SNVBAGLBSA-N 0 3 297.359 -1.675 20 0 CAADHN CCOC[C@H](O)CN[C@H]1CCCN(CCO)C1=O ZINC000566232219 373945480 /nfs/dbraw/zinc/94/54/80/373945480.db2.gz ZRSDAEHYLYEZDY-MNOVXSKESA-N 0 3 260.334 -1.043 20 0 CAADHN C[C@H]1CCN(C(=O)CN2CC(=O)[N-]C2=O)C[C@@H]1C[NH3+] ZINC000566213603 373946833 /nfs/dbraw/zinc/94/68/33/373946833.db2.gz XRAIIVJJXPOCPX-IUCAKERBSA-N 0 3 268.317 -1.019 20 0 CAADHN C[C@@H]1CCN(C(=O)CN2CC(=O)[N-]C2=O)C[C@H]1C[NH3+] ZINC000566213604 373946909 /nfs/dbraw/zinc/94/69/09/373946909.db2.gz XRAIIVJJXPOCPX-RKDXNWHRSA-N 0 3 268.317 -1.019 20 0 CAADHN CCC[C@H](O)[C@@H](CO)NC[C@@H](O)CN1CCOCC1 ZINC000566561803 373948296 /nfs/dbraw/zinc/94/82/96/373948296.db2.gz PFNLUENZFNOPSX-UPJWGTAASA-N 0 3 276.377 -1.209 20 0 CAADHN COCCCN(C)CCNC(=O)Cn1cn[nH]c1=O ZINC000158027970 373964596 /nfs/dbraw/zinc/96/45/96/373964596.db2.gz TXVHRSYYLCGGOB-UHFFFAOYSA-N 0 3 271.321 -1.344 20 0 CAADHN COCCN(C)C[C@@H](O)CN1C[C@H](O)C[C@H]1C(=O)OC ZINC000566419254 373948627 /nfs/dbraw/zinc/94/86/27/373948627.db2.gz QWVXIZFPGYNJKH-UTUOFQBUSA-N 0 3 290.360 -1.466 20 0 CAADHN COCCN1CN(C(=O)C2CCCS2(=O)=O)CC1=O ZINC000566459383 373949112 /nfs/dbraw/zinc/94/91/12/373949112.db2.gz DDKCZKDTQUXGAZ-SECBINFHSA-N 0 3 290.341 -1.162 20 0 CAADHN CNCC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000566677593 373950838 /nfs/dbraw/zinc/95/08/38/373950838.db2.gz JHENZLGPCHNCFO-UHFFFAOYSA-N 0 3 276.362 -2.348 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)N1CCN(C)C[C@H]1CN ZINC000566915721 373951102 /nfs/dbraw/zinc/95/11/02/373951102.db2.gz OQOZKIGDTGIUHB-SNVBAGLBSA-N 0 3 292.405 -1.631 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CCC(=O)N3CCOCC3)CCN2C1=O ZINC000566631089 373951257 /nfs/dbraw/zinc/95/12/57/373951257.db2.gz KGACZXHGFNABRA-VXGBXAGGSA-N 0 3 296.371 -1.521 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000566745332 373951401 /nfs/dbraw/zinc/95/14/01/373951401.db2.gz YGVOGTZJOYMPIQ-SECBINFHSA-N 0 3 294.377 -2.123 20 0 CAADHN CCN1CCO[C@H](C(=O)NCC(=O)N2CCNCC2)C1 ZINC000566619358 373951653 /nfs/dbraw/zinc/95/16/53/373951653.db2.gz OEFFQEDUIWRCQH-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN C[C@@H](NC(=O)C(=O)NC1CNC1)C(=O)N1CCCC[C@@H]1C ZINC000567031677 373953599 /nfs/dbraw/zinc/95/35/99/373953599.db2.gz HANANRXSSUYRDX-VHSXEESVSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CNC(=O)C(=O)NCC(=O)N(C)C)N(C)C1CC1 ZINC000153815843 373953825 /nfs/dbraw/zinc/95/38/25/373953825.db2.gz KMECLRFMGNJTBP-VIFPVBQESA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](NC(=O)C(=O)NC1CNC1)C(=O)N1CCCC[C@H]1C ZINC000567031675 373953915 /nfs/dbraw/zinc/95/39/15/373953915.db2.gz HANANRXSSUYRDX-NXEZZACHSA-N 0 3 296.371 -1.020 20 0 CAADHN COC(=O)C1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000567062561 373954476 /nfs/dbraw/zinc/95/44/76/373954476.db2.gz APSBZDQKTGHDQM-BDAKNGLRSA-N 0 3 281.312 -1.290 20 0 CAADHN CCN(CCNC(=O)C(=O)NCC(=O)N(C)C)C1CC1 ZINC000153815294 373954564 /nfs/dbraw/zinc/95/45/64/373954564.db2.gz XEHOUUFEZPSWNI-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN CN(C)C(=O)CCN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000567407978 373955522 /nfs/dbraw/zinc/95/55/22/373955522.db2.gz RGHJUYRAFIZFDM-VHSXEESVSA-N 0 3 254.334 -1.292 20 0 CAADHN CC(C)C(=O)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000567251066 373956694 /nfs/dbraw/zinc/95/66/94/373956694.db2.gz OXFQNWFDNOEGEC-UHFFFAOYSA-N 0 3 282.344 -1.599 20 0 CAADHN CCCNC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000567292375 373957047 /nfs/dbraw/zinc/95/70/47/373957047.db2.gz ONLLYEPRUBBBEF-NXEZZACHSA-N 0 3 254.334 -1.244 20 0 CAADHN CN1CCN(C(=O)CN2CCCS2(=O)=O)[C@H](CN)C1 ZINC000567587023 373958131 /nfs/dbraw/zinc/95/81/31/373958131.db2.gz RCRVUGWSVIUGMI-SNVBAGLBSA-N 0 3 290.389 -1.877 20 0 CAADHN CN1CCN(C(=O)CN2CCCS2(=O)=O)[C@@H](CN)C1 ZINC000567587022 373958268 /nfs/dbraw/zinc/95/82/68/373958268.db2.gz RCRVUGWSVIUGMI-JTQLQIEISA-N 0 3 290.389 -1.877 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000567675034 373958828 /nfs/dbraw/zinc/95/88/28/373958828.db2.gz YFCHCLYFQWVXEV-DTWKUNHWSA-N 0 3 279.362 -1.548 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000567588880 373959668 /nfs/dbraw/zinc/95/96/68/373959668.db2.gz MZOKYVSIKJVFDZ-ZJUUUORDSA-N 0 3 292.343 -1.047 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000567588879 373959951 /nfs/dbraw/zinc/95/99/51/373959951.db2.gz MZOKYVSIKJVFDZ-NXEZZACHSA-N 0 3 292.343 -1.047 20 0 CAADHN COC(=O)[C@H](NC[C@H](O)CN(C)C1CC1)[C@H](C)O ZINC000567874849 373961262 /nfs/dbraw/zinc/96/12/62/373961262.db2.gz XCOCXOCPZCSPEZ-INTQDDNPSA-N 0 3 260.334 -1.047 20 0 CAADHN COC(=O)[C@H](NC[C@@H](O)CN(C)C1CC1)[C@@H](C)O ZINC000567874848 373961508 /nfs/dbraw/zinc/96/15/08/373961508.db2.gz XCOCXOCPZCSPEZ-FBIMIBRVSA-N 0 3 260.334 -1.047 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)NCCN1CCNC(=O)C1 ZINC000541905357 373908100 /nfs/dbraw/zinc/90/81/00/373908100.db2.gz KCPBMYREVLQMAA-LLVKDONJSA-N 0 3 283.376 -1.188 20 0 CAADHN CN(C)C(=O)N1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000567821031 373962519 /nfs/dbraw/zinc/96/25/19/373962519.db2.gz TZLVEFAOOUDWKL-NSHDSACASA-N 0 3 299.375 -1.016 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2CCCN(C)C2=O)C1 ZINC000545178070 373914223 /nfs/dbraw/zinc/91/42/23/373914223.db2.gz RBHFDMVBGPKJOC-GXFFZTMASA-N 0 3 284.360 -1.027 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)NC1=O ZINC000627269406 373914593 /nfs/dbraw/zinc/91/45/93/373914593.db2.gz SAYVVZGHIQMAOJ-GARJFASQSA-N 0 3 282.344 -1.323 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@H]2CCCN(C)C2=O)C1 ZINC000545178069 373914613 /nfs/dbraw/zinc/91/46/13/373914613.db2.gz RBHFDMVBGPKJOC-GWCFXTLKSA-N 0 3 284.360 -1.027 20 0 CAADHN CN(C)CCCS(=O)(=O)NCC(=O)N(C)C ZINC000631671001 373914893 /nfs/dbraw/zinc/91/48/93/373914893.db2.gz ZLXVVQZJVQUTJX-UHFFFAOYSA-N 0 3 251.352 -1.054 20 0 CAADHN CN(C)C(=O)N1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000567821030 373962684 /nfs/dbraw/zinc/96/26/84/373962684.db2.gz TZLVEFAOOUDWKL-LLVKDONJSA-N 0 3 299.375 -1.016 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CNC[C@](C)(O)CO)C[C@H](C)O1 ZINC000567876981 373962707 /nfs/dbraw/zinc/96/27/07/373962707.db2.gz DHTLIYJUFNEVJR-XQHKEYJVSA-N 0 3 276.377 -1.211 20 0 CAADHN COCCNC(=O)CNC(=O)c1cnn(CCN(C)C)c1 ZINC000630609719 373917313 /nfs/dbraw/zinc/91/73/13/373917313.db2.gz SBMDOYSIFPFGEO-UHFFFAOYSA-N 0 3 297.359 -1.063 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@@H]1O ZINC000615079287 373919587 /nfs/dbraw/zinc/91/95/87/373919587.db2.gz RJZXAHZBAFSGKE-VGMNWLOBSA-N 0 3 256.306 -1.857 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@@H]1O ZINC000615081171 373919912 /nfs/dbraw/zinc/91/99/12/373919912.db2.gz YSOXHGMKQPOLFF-FXQIFTODSA-N 0 3 270.289 -2.282 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000615079455 373919946 /nfs/dbraw/zinc/91/99/46/373919946.db2.gz IEJYSOOYOKFPFP-GUBZILKMSA-N 0 3 293.389 -1.553 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@@H]1O ZINC000615079286 373919969 /nfs/dbraw/zinc/91/99/69/373919969.db2.gz RJZXAHZBAFSGKE-CIUDSAMLSA-N 0 3 256.306 -1.857 20 0 CAADHN CN(C)[C@H]1CN(C(=O)c2nc3n(n2)CCCN3)C[C@@H]1O ZINC000615080241 373920083 /nfs/dbraw/zinc/92/00/83/373920083.db2.gz PTCKNMDQOCVXLH-IUCAKERBSA-N 0 3 280.332 -1.902 20 0 CAADHN CN(C)[C@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@@H]1O ZINC000615080947 373920211 /nfs/dbraw/zinc/92/02/11/373920211.db2.gz VYSZADDEXNQJFE-UWVGGRQHSA-N 0 3 276.300 -1.129 20 0 CAADHN CN1C[C@H]2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)[C@H]2C1 ZINC000615184764 373921811 /nfs/dbraw/zinc/92/18/11/373921811.db2.gz UOIUXPMHXWSJJD-YHALQVAKSA-N 0 3 282.340 -1.438 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)C[C@H](O)Cn1cccn1 ZINC000246573310 373921916 /nfs/dbraw/zinc/92/19/16/373921916.db2.gz VOEQINKZNDJQPW-KGLIPLIRSA-N 0 3 298.387 -1.131 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000615186349 373922620 /nfs/dbraw/zinc/92/26/20/373922620.db2.gz ZHESMQDKULVHKV-NXEZZACHSA-N 0 3 290.389 -1.455 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000615186290 373922842 /nfs/dbraw/zinc/92/28/42/373922842.db2.gz YXJJXFZJTTZOFU-CIUDSAMLSA-N 0 3 266.301 -1.253 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000615186354 373922958 /nfs/dbraw/zinc/92/29/58/373922958.db2.gz ZHESMQDKULVHKV-ZJUUUORDSA-N 0 3 290.389 -1.455 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC000627275160 373924196 /nfs/dbraw/zinc/92/41/96/373924196.db2.gz DWNNXJXVJQMXKZ-SSDOTTSWSA-N 0 3 254.290 -1.234 20 0 CAADHN C[C@H](C(=O)N[C@@H](CO)CN(C)C)[C@@H]1CCC(=O)N1 ZINC000627275791 373924468 /nfs/dbraw/zinc/92/44/68/373924468.db2.gz RFGIZCASWCFYQQ-AEJSXWLSSA-N 0 3 257.334 -1.060 20 0 CAADHN C[C@H](C(=O)N[C@H](CO)CN(C)C)[C@@H]1CCC(=O)N1 ZINC000627275792 373924652 /nfs/dbraw/zinc/92/46/52/373924652.db2.gz RFGIZCASWCFYQQ-GUBZILKMSA-N 0 3 257.334 -1.060 20 0 CAADHN O=C(CNC(=O)[C@H]1CC(=O)N1)NCCN1CCCCCC1 ZINC000615238138 373925226 /nfs/dbraw/zinc/92/52/26/373925226.db2.gz QZMGUCQBRIHJOK-LLVKDONJSA-N 0 3 296.371 -1.017 20 0 CAADHN C[C@H]1CN([C@H]2CC(=O)N(CCN(C)C)C2=O)CC(=O)N1 ZINC000556124490 373928871 /nfs/dbraw/zinc/92/88/71/373928871.db2.gz JZEUFNABAYZFIB-UWVGGRQHSA-N 0 3 282.344 -1.504 20 0 CAADHN CN1CCO[C@@H]2CCN(C(=O)COC3CNC3)C[C@@H]21 ZINC000564566169 373929550 /nfs/dbraw/zinc/92/95/50/373929550.db2.gz BELQUWGDWVBSAB-NWDGAFQWSA-N 0 3 269.345 -1.094 20 0 CAADHN CNS(=O)(=O)CCNC[C@H](O)COC(C)C ZINC000564445238 373929567 /nfs/dbraw/zinc/92/95/67/373929567.db2.gz AGFQMFHPERCFMO-VIFPVBQESA-N 0 3 254.352 -1.089 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000564896184 373931375 /nfs/dbraw/zinc/93/13/75/373931375.db2.gz GWTGFSGEKRONDI-CKYFFXLPSA-N 0 3 273.333 -1.234 20 0 CAADHN COCCCS(=O)(=O)NCC(=O)N1CCCNCC1 ZINC000564798019 373931669 /nfs/dbraw/zinc/93/16/69/373931669.db2.gz YJLBQYDABFRCDZ-UHFFFAOYSA-N 0 3 293.389 -1.236 20 0 CAADHN CN1CCN(C(=O)C(=O)NCC2CC2)[C@H](CN)C1 ZINC000564988061 373933018 /nfs/dbraw/zinc/93/30/18/373933018.db2.gz YYDGOLPTGAFOMO-SNVBAGLBSA-N 0 3 254.334 -1.386 20 0 CAADHN COCCN(CCN(C)C)C(=O)CN1CCNCC1=O ZINC000568091055 373963489 /nfs/dbraw/zinc/96/34/89/373963489.db2.gz IQOVUYQCMDNIDZ-UHFFFAOYSA-N 0 3 286.376 -1.545 20 0 CAADHN Cn1cnn(CC(=O)N2CCN(C)C[C@H]2CN)c1=O ZINC000564944460 373933442 /nfs/dbraw/zinc/93/34/42/373933442.db2.gz XHBIOJMTEHAJPR-SECBINFHSA-N 0 3 268.321 -2.317 20 0 CAADHN O=C(NCCN1CCCC1=O)NC[C@H]1CNCCO1 ZINC000565095024 373933452 /nfs/dbraw/zinc/93/34/52/373933452.db2.gz OWGZYWZISPKRLH-SNVBAGLBSA-N 0 3 270.333 -1.104 20 0 CAADHN NC(=O)NC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000567893075 373963598 /nfs/dbraw/zinc/96/35/98/373963598.db2.gz QOOBIUIKBOJZBH-JTQLQIEISA-N 0 3 297.359 -1.675 20 0 CAADHN C[C@@H](NC(=O)[C@@]1(O)CCOC1)C(=O)NCCN(C)C ZINC000565206413 373936587 /nfs/dbraw/zinc/93/65/87/373936587.db2.gz SQWDRMGFWFZQQF-BXKDBHETSA-N 0 3 273.333 -1.680 20 0 CAADHN O=C(CCNC(CO)CO)NC(=O)NCC(F)(F)F ZINC000565163702 373936687 /nfs/dbraw/zinc/93/66/87/373936687.db2.gz MGHIPGVWHPKIEW-UHFFFAOYSA-N 0 3 287.238 -1.293 20 0 CAADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)N3CCCC3)CCN2C1=O ZINC000565240598 373937244 /nfs/dbraw/zinc/93/72/44/373937244.db2.gz YYSRUHLFKFPNGZ-ZJUUUORDSA-N 0 3 288.373 -1.429 20 0 CAADHN COC(=O)C[C@H](N)C(=O)NC[C@@H](C)CN1CCOCC1 ZINC000565714500 373938059 /nfs/dbraw/zinc/93/80/59/373938059.db2.gz LKFSDTMTIUVGQP-MNOVXSKESA-N 0 3 287.360 -1.039 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000565548500 373938325 /nfs/dbraw/zinc/93/83/25/373938325.db2.gz IOCMPGXEVSWPMW-CYBMUJFWSA-N 0 3 284.360 -1.122 20 0 CAADHN CCS(=O)(=O)NCC(=O)N1CCN(C)C[C@@H]1CN ZINC000565479915 373938664 /nfs/dbraw/zinc/93/86/64/373938664.db2.gz QETXCXFIENHPNV-VIFPVBQESA-N 0 3 278.378 -1.973 20 0 CAADHN CCOCCN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000565708020 373938803 /nfs/dbraw/zinc/93/88/03/373938803.db2.gz ZKYYMTXVRPIKSH-UHFFFAOYSA-N 0 3 284.360 -1.745 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001193156105 781964397 /nfs/dbraw/zinc/96/43/97/781964397.db2.gz BIXIREHTQCRVJI-YUSALJHKSA-N 0 3 299.371 -1.291 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000565548503 373939501 /nfs/dbraw/zinc/93/95/01/373939501.db2.gz IOCMPGXEVSWPMW-ZDUSSCGKSA-N 0 3 284.360 -1.122 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000565715292 373940957 /nfs/dbraw/zinc/94/09/57/373940957.db2.gz UOKAVIUXCZYUSA-DTWKUNHWSA-N 0 3 276.362 -2.234 20 0 CAADHN COC(=O)c1cn(CCNC(=O)CCOC2CNC2)nn1 ZINC000565828319 373941109 /nfs/dbraw/zinc/94/11/09/373941109.db2.gz XKFATUGIBCOLQV-UHFFFAOYSA-N 0 3 297.315 -1.441 20 0 CAADHN COCCNCC(=O)N1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000565951109 373941269 /nfs/dbraw/zinc/94/12/69/373941269.db2.gz DSOZMPMIOBVZHW-GXSJLCMTSA-N 0 3 274.317 -1.253 20 0 CAADHN CCc1noc(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000565844920 373941418 /nfs/dbraw/zinc/94/14/18/373941418.db2.gz FLQDELGHZUXRIV-HTQZYQBOSA-N 0 3 294.315 -1.170 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](CN)OC ZINC000565833790 373941460 /nfs/dbraw/zinc/94/14/60/373941460.db2.gz FGTFELKPABHWOM-JGVFFNPUSA-N 0 3 273.289 -2.150 20 0 CAADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](CN)OC)C1 ZINC000565832304 373941505 /nfs/dbraw/zinc/94/15/05/373941505.db2.gz QJNGJUGHMCTQJE-IUCAKERBSA-N 0 3 279.362 -1.500 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@@H]2CCC(=O)N(C)C2=O)C1 ZINC000565947288 373941599 /nfs/dbraw/zinc/94/15/99/373941599.db2.gz LHOGXVFZESKLOA-RNCFNFMXSA-N 0 3 298.343 -1.500 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCCN2CCCC2=O)C1 ZINC000565839193 373941628 /nfs/dbraw/zinc/94/16/28/373941628.db2.gz YBYSVIBJTJIMFH-ZDUSSCGKSA-N 0 3 284.360 -1.025 20 0 CAADHN CCCN1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC000619899043 373941940 /nfs/dbraw/zinc/94/19/40/373941940.db2.gz KLLPBWVWZUCARW-QWRGUYRKSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578906382 373995086 /nfs/dbraw/zinc/99/50/86/373995086.db2.gz NVOOLAOGQMDFNE-DTWKUNHWSA-N 0 3 283.332 -1.924 20 0 CAADHN CN(C)S(=O)(=O)CCCS(=O)(=O)NC1CNC1 ZINC000578866224 373995552 /nfs/dbraw/zinc/99/55/52/373995552.db2.gz LWUNZNLZYQPXMF-UHFFFAOYSA-N 0 3 285.391 -1.841 20 0 CAADHN CC(=O)NCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000578917704 373995578 /nfs/dbraw/zinc/99/55/78/373995578.db2.gz SZAKAKCGVANKTP-LLVKDONJSA-N 0 3 254.334 -1.371 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)C[C@H]1CNCCO1 ZINC000579000680 373995849 /nfs/dbraw/zinc/99/58/49/373995849.db2.gz LBIAVRWQSOUGHC-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN Cc1n[nH]cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578787524 373996081 /nfs/dbraw/zinc/99/60/81/373996081.db2.gz RKFMBWTXALATDS-DTWKUNHWSA-N 0 3 299.356 -1.349 20 0 CAADHN Cc1n[nH]cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578787523 373996397 /nfs/dbraw/zinc/99/63/97/373996397.db2.gz RKFMBWTXALATDS-BDAKNGLRSA-N 0 3 299.356 -1.349 20 0 CAADHN CCN1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000578994964 373996484 /nfs/dbraw/zinc/99/64/84/373996484.db2.gz GEAJOIXOOWYSJL-LBPRGKRZSA-N 0 3 297.403 -1.748 20 0 CAADHN CN1C[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)NC1=O ZINC000615658607 374022881 /nfs/dbraw/zinc/02/28/81/374022881.db2.gz HZLLYESSRUCUIN-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN CN1CCN(C(=O)C(=O)NCCOCC2CC2)[C@H](CN)C1 ZINC000579212301 373997732 /nfs/dbraw/zinc/99/77/32/373997732.db2.gz WDKYDUVWSWDLIY-GFCCVEGCSA-N 0 3 298.387 -1.370 20 0 CAADHN CN1C[C@@H](NC(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000579215909 373998096 /nfs/dbraw/zinc/99/80/96/373998096.db2.gz OKPVMLQHTVWRRD-UWVGGRQHSA-N 0 3 269.349 -1.499 20 0 CAADHN CC1(CNC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000579007463 373999000 /nfs/dbraw/zinc/99/90/00/373999000.db2.gz OCOHRHDMNPMRQK-UWVGGRQHSA-N 0 3 294.355 -1.327 20 0 CAADHN CN1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)[C@H](CN)C1 ZINC000579354915 374000331 /nfs/dbraw/zinc/00/03/31/374000331.db2.gz ILHAIZVCXMZLEV-WDEREUQCSA-N 0 3 283.376 -1.122 20 0 CAADHN CC1(C)NC(=O)N(CC(=O)NC[C@H]2CNCCO2)C1=O ZINC000580769198 374000433 /nfs/dbraw/zinc/00/04/33/374000433.db2.gz YPVXBEVWOQEVAT-MRVPVSSYSA-N 0 3 284.316 -1.579 20 0 CAADHN CC(C)NS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579495535 374000621 /nfs/dbraw/zinc/00/06/21/374000621.db2.gz DUGWJTFXBCKJHD-DTWKUNHWSA-N 0 3 276.362 -1.527 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1O ZINC000579287717 374000934 /nfs/dbraw/zinc/00/09/34/374000934.db2.gz QJFAFDUFBOWMAF-AATLWQCWSA-N 0 3 271.317 -1.847 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)C[C@@H]1O ZINC000579287719 374001222 /nfs/dbraw/zinc/00/12/22/374001222.db2.gz QJFAFDUFBOWMAF-QEYWKRMJSA-N 0 3 271.317 -1.847 20 0 CAADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)CCO ZINC000579325494 374001278 /nfs/dbraw/zinc/00/12/78/374001278.db2.gz ZIRRHIKKEIEFJF-UHFFFAOYSA-N 0 3 288.392 -1.611 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000579474488 374001311 /nfs/dbraw/zinc/00/13/11/374001311.db2.gz BBGFSJFDRNVGJH-SECBINFHSA-N 0 3 285.348 -1.724 20 0 CAADHN CC1(C)NC(=O)N(CC(=O)NC[C@@H]2CNCCO2)C1=O ZINC000580769199 374001499 /nfs/dbraw/zinc/00/14/99/374001499.db2.gz YPVXBEVWOQEVAT-QMMMGPOBSA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000579609811 374002481 /nfs/dbraw/zinc/00/24/81/374002481.db2.gz JSSUMBGSPZRLDQ-PDEGPIFNSA-N 0 3 299.371 -1.605 20 0 CAADHN CC[C@@H](C)[C@H](N)C(=O)NCC(=O)N1CCNCC1 ZINC000579711578 374002826 /nfs/dbraw/zinc/00/28/26/374002826.db2.gz DKFNLLICYFUKCZ-KOLCDFICSA-N 0 3 256.350 -1.092 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN2C(=O)NC[C@H]2C1 ZINC000579550001 374003296 /nfs/dbraw/zinc/00/32/96/374003296.db2.gz YPTCIVIKANVKAE-RYUDHWBXSA-N 0 3 286.376 -1.365 20 0 CAADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000579689842 374003458 /nfs/dbraw/zinc/00/34/58/374003458.db2.gz HXSCHXBUZZXCND-QUARPLMYSA-N 0 3 297.355 -1.023 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000579550002 374003500 /nfs/dbraw/zinc/00/35/00/374003500.db2.gz YPTCIVIKANVKAE-VXGBXAGGSA-N 0 3 286.376 -1.365 20 0 CAADHN CN1C[C@H](C(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000579593627 374003571 /nfs/dbraw/zinc/00/35/71/374003571.db2.gz XGACWIJPRNBFMI-ZJUUUORDSA-N 0 3 254.334 -1.434 20 0 CAADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000579689840 374003764 /nfs/dbraw/zinc/00/37/64/374003764.db2.gz HXSCHXBUZZXCND-FBDQPXRJSA-N 0 3 297.355 -1.023 20 0 CAADHN COC(=O)CCNC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579853316 374005405 /nfs/dbraw/zinc/00/54/05/374005405.db2.gz MBAWHIJJWCUPLJ-NXEZZACHSA-N 0 3 298.343 -2.091 20 0 CAADHN CN1CCN(C[C@@H](O)CN[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000579827396 374005590 /nfs/dbraw/zinc/00/55/90/374005590.db2.gz NBSFIRALCMJAHP-JSGCOSHPSA-N 0 3 296.415 -1.052 20 0 CAADHN CN1CCN(C[C@H](O)CN[C@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000579827395 374005827 /nfs/dbraw/zinc/00/58/27/374005827.db2.gz NBSFIRALCMJAHP-GXTWGEPZSA-N 0 3 296.415 -1.052 20 0 CAADHN COC(=O)CCNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579853317 374006022 /nfs/dbraw/zinc/00/60/22/374006022.db2.gz MBAWHIJJWCUPLJ-UWVGGRQHSA-N 0 3 298.343 -2.091 20 0 CAADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)COC2CNC2)C1 ZINC000580831812 374007494 /nfs/dbraw/zinc/00/74/94/374007494.db2.gz JKNOIJUSYALMPU-JTQLQIEISA-N 0 3 291.373 -1.485 20 0 CAADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCN)C1=O ZINC000579952570 374007602 /nfs/dbraw/zinc/00/76/02/374007602.db2.gz GUIOUJIKVLMTCC-MRVPVSSYSA-N 0 3 270.333 -1.423 20 0 CAADHN O=C(C[C@H]1COCCN1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000579949941 374007957 /nfs/dbraw/zinc/00/79/57/374007957.db2.gz JNRHDCZBTFSRNO-VIFPVBQESA-N 0 3 295.347 -1.469 20 0 CAADHN COCCN(CCN(C)C)C(=O)Cn1cn[nH]c1=O ZINC000184754216 374008015 /nfs/dbraw/zinc/00/80/15/374008015.db2.gz JOBINJQGLHORRH-UHFFFAOYSA-N 0 3 271.321 -1.392 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000580978416 374009806 /nfs/dbraw/zinc/00/98/06/374009806.db2.gz AJOTWJMKKRUYFZ-QMMMGPOBSA-N 0 3 273.337 -1.902 20 0 CAADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCSC2)[C@H](CN)C1 ZINC000580882577 374010260 /nfs/dbraw/zinc/01/02/60/374010260.db2.gz DMSMRUOLWDBNHR-NXEZZACHSA-N 0 3 286.401 -1.291 20 0 CAADHN CN(C)[C@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@@H]1O ZINC000580960350 374010378 /nfs/dbraw/zinc/01/03/78/374010378.db2.gz KZGUVWAQSUKRJP-UWVGGRQHSA-N 0 3 270.333 -1.419 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H]2CCCN(CCCO)C2)NC1=O ZINC000615658606 374023728 /nfs/dbraw/zinc/02/37/28/374023728.db2.gz HZLLYESSRUCUIN-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN O=C(NC[C@H]1CCCN1CCCO)[C@H]1CC(=O)N1 ZINC000615480633 374017960 /nfs/dbraw/zinc/01/79/60/374017960.db2.gz QBBHDDKPRQXMAS-NXEZZACHSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCCO)[C@@H]1CC(=O)N1 ZINC000615480634 374018045 /nfs/dbraw/zinc/01/80/45/374018045.db2.gz QBBHDDKPRQXMAS-UWVGGRQHSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(NC[C@@H]1CCCCN1CCO)[C@H]1CC(=O)N1 ZINC000615657549 374021038 /nfs/dbraw/zinc/02/10/38/374021038.db2.gz UGLUISTXJGTFFW-VHSXEESVSA-N 0 3 255.318 -1.162 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN2CCOC[C@H]2C1 ZINC000568166859 373966027 /nfs/dbraw/zinc/96/60/27/373966027.db2.gz VTBMVEOCNBZOBS-KGLIPLIRSA-N 0 3 287.404 -1.058 20 0 CAADHN COCCN(C)C[C@@H](O)CN[C@@H]1COC[C@H]1OC ZINC000568182649 373966277 /nfs/dbraw/zinc/96/62/77/373966277.db2.gz WXHINEQKHVZPPR-QJPTWQEYSA-N 0 3 262.350 -1.071 20 0 CAADHN N=c1nc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)nc2[nH][n-]cc1-2 ZINC000568257352 373966383 /nfs/dbraw/zinc/96/63/83/373966383.db2.gz KBDKLCSHKAZFHN-POYBYMJQSA-N 0 3 288.315 -1.535 20 0 CAADHN N=c1nc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)nc2[nH][nH]cc1-2 ZINC000568257352 373966390 /nfs/dbraw/zinc/96/63/90/373966390.db2.gz KBDKLCSHKAZFHN-POYBYMJQSA-N 0 3 288.315 -1.535 20 0 CAADHN N=c1nc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc2[nH][n-]cc1-2 ZINC000568257354 373966510 /nfs/dbraw/zinc/96/65/10/373966510.db2.gz KBDKLCSHKAZFHN-XPUUQOCRSA-N 0 3 288.315 -1.535 20 0 CAADHN N=c1nc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)nc2[nH][nH]cc1-2 ZINC000568257354 373966515 /nfs/dbraw/zinc/96/65/15/373966515.db2.gz KBDKLCSHKAZFHN-XPUUQOCRSA-N 0 3 288.315 -1.535 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193296506 781965376 /nfs/dbraw/zinc/96/53/76/781965376.db2.gz MHSSBXIIJJVIAO-GHMZBOCLSA-N 0 3 283.332 -1.524 20 0 CAADHN CN(C)CCN1C(=O)C[C@@H](NCCn2ncnn2)C1=O ZINC000568161821 373967130 /nfs/dbraw/zinc/96/71/30/373967130.db2.gz JXIZXVJFRNYOAD-SECBINFHSA-N 0 3 281.320 -2.048 20 0 CAADHN COCCN(C)C[C@H](O)CN[C@@H]1COC[C@H]1OC ZINC000568182648 373967387 /nfs/dbraw/zinc/96/73/87/373967387.db2.gz WXHINEQKHVZPPR-IJLUTSLNSA-N 0 3 262.350 -1.071 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCNC(=O)CC1 ZINC000568163599 373967495 /nfs/dbraw/zinc/96/74/95/373967495.db2.gz FCOHKLCDGPRIIT-NSHDSACASA-N 0 3 259.350 -1.253 20 0 CAADHN COCCN(C)C[C@H](O)CN[C@@]1(C(=O)OC)CCOC1 ZINC000568408865 373969888 /nfs/dbraw/zinc/96/98/88/373969888.db2.gz CNVATDFDQPKGLK-YPMHNXCESA-N 0 3 290.360 -1.153 20 0 CAADHN COC[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568294236 373969923 /nfs/dbraw/zinc/96/99/23/373969923.db2.gz MVSQRLWWJJZHOY-BBBLOLIVSA-N 0 3 270.333 -1.025 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568267191 373969960 /nfs/dbraw/zinc/96/99/60/373969960.db2.gz CDJJXRKZWWLMPT-KXUCPTDWSA-N 0 3 254.334 -1.293 20 0 CAADHN COCCN(C)C[C@@H](O)CN[C@@]1(C(=O)OC)CCOC1 ZINC000568408862 373970464 /nfs/dbraw/zinc/97/04/64/373970464.db2.gz CNVATDFDQPKGLK-AAEUAGOBSA-N 0 3 290.360 -1.153 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)CCNC(C)=O ZINC000568659490 373971326 /nfs/dbraw/zinc/97/13/26/373971326.db2.gz BDUKQPPXFFQADT-LBPRGKRZSA-N 0 3 261.366 -1.007 20 0 CAADHN COCCN(CCN(C)C)C(=O)CNC(=O)CN ZINC000568629326 373971502 /nfs/dbraw/zinc/97/15/02/373971502.db2.gz AMWIPGXJXXXDHT-UHFFFAOYSA-N 0 3 260.338 -1.902 20 0 CAADHN Cn1cc(C(N)=O)cc1C(=O)N1CCN(C)C[C@@H]1CN ZINC000568864587 373971774 /nfs/dbraw/zinc/97/17/74/373971774.db2.gz YNTKPRQXLHGDRL-JTQLQIEISA-N 0 3 279.344 -1.161 20 0 CAADHN COCCN1CCN(C(=O)C[C@@H]2CNCCO2)CC1=O ZINC000568624678 373971922 /nfs/dbraw/zinc/97/19/22/373971922.db2.gz NCAQLTHBZAMVQB-LLVKDONJSA-N 0 3 285.344 -1.318 20 0 CAADHN COCCN1CCN(C(=O)C[C@H]2CNCCO2)CC1=O ZINC000568624680 373972478 /nfs/dbraw/zinc/97/24/78/373972478.db2.gz NCAQLTHBZAMVQB-NSHDSACASA-N 0 3 285.344 -1.318 20 0 CAADHN COC(=O)C1(NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000568632876 373972696 /nfs/dbraw/zinc/97/26/96/373972696.db2.gz NNXAHPKLGYDAAI-VIFPVBQESA-N 0 3 271.317 -1.092 20 0 CAADHN COCCOCCN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568769335 373972780 /nfs/dbraw/zinc/97/27/80/373972780.db2.gz FUOXYVNNPGLXDU-WDEREUQCSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C)CCN1CCN(C(=O)CN2CN=NC2=O)CC1 ZINC000569184115 373974025 /nfs/dbraw/zinc/97/40/25/373974025.db2.gz VXUGCOARERNZFZ-UHFFFAOYSA-N 0 3 282.348 -1.311 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@H]2CNCCO2)cn1 ZINC000568999879 373974062 /nfs/dbraw/zinc/97/40/62/373974062.db2.gz XBIUQFGNSMJLSE-SECBINFHSA-N 0 3 264.285 -1.101 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(=O)NC1CNC1)N1CCOCC1 ZINC000568966815 373974434 /nfs/dbraw/zinc/97/44/34/373974434.db2.gz BXVQJBCRAOBCMC-GFCCVEGCSA-N 0 3 298.387 -1.453 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000569253634 373974613 /nfs/dbraw/zinc/97/46/13/373974613.db2.gz UMFFIQNNKRYINR-UHFFFAOYSA-N 0 3 286.332 -2.361 20 0 CAADHN C[C@H](CN1CCOCC1)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000569202523 373975228 /nfs/dbraw/zinc/97/52/28/373975228.db2.gz HMVHNNQVFDNOHZ-OLZOCXBDSA-N 0 3 299.419 -1.009 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000569215947 373975245 /nfs/dbraw/zinc/97/52/45/373975245.db2.gz DORCZXLMCWZSGY-NXEZZACHSA-N 0 3 280.328 -1.656 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@@H]2CNCCO2)cn1 ZINC000568999880 373975292 /nfs/dbraw/zinc/97/52/92/373975292.db2.gz XBIUQFGNSMJLSE-VIFPVBQESA-N 0 3 264.285 -1.101 20 0 CAADHN COC(=O)CN1CCC[C@@H](CNC(=O)[C@@H](CN)OC)C1 ZINC000568982087 373975592 /nfs/dbraw/zinc/97/55/92/373975592.db2.gz FMLUQXPLEKRNPU-WDEREUQCSA-N 0 3 287.360 -1.039 20 0 CAADHN COC(=O)CN1CCC[C@H](CNC(=O)[C@@H](CN)OC)C1 ZINC000568982084 373975637 /nfs/dbraw/zinc/97/56/37/373975637.db2.gz FMLUQXPLEKRNPU-GHMZBOCLSA-N 0 3 287.360 -1.039 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000569233550 373975740 /nfs/dbraw/zinc/97/57/40/373975740.db2.gz GYOAZRRAZDZQQS-SNVBAGLBSA-N 0 3 272.301 -1.235 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000572958840 373976750 /nfs/dbraw/zinc/97/67/50/373976750.db2.gz NEXMESZPEKQXPR-NEPJUHHUSA-N 0 3 268.361 -1.044 20 0 CAADHN CO[C@@H](C)CN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000572868831 373976937 /nfs/dbraw/zinc/97/69/37/373976937.db2.gz IXXPGJWAMWYASL-QWRGUYRKSA-N 0 3 286.376 -1.419 20 0 CAADHN CCOCCNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000572618047 373977061 /nfs/dbraw/zinc/97/70/61/373977061.db2.gz PLHUDKLTPRGYLB-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN CCOCCNC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000572618045 373977087 /nfs/dbraw/zinc/97/70/87/373977087.db2.gz PLHUDKLTPRGYLB-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN CN(C)[C@H]1CN(C(=O)c2ccc3nnnn3c2)C[C@@H]1O ZINC000572972874 373977279 /nfs/dbraw/zinc/97/72/79/373977279.db2.gz GAPOJSVGJCPGIU-UWVGGRQHSA-N 0 3 276.300 -1.129 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)CN1CCNCC1=O ZINC000572959047 373977316 /nfs/dbraw/zinc/97/73/16/373977316.db2.gz ZWEIPKHJOXHVOD-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN COC[C@@](C)(O)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000572974383 373977399 /nfs/dbraw/zinc/97/73/99/373977399.db2.gz UDVPCLNVHUGZNC-BXKDBHETSA-N 0 3 275.349 -1.434 20 0 CAADHN O=C(N[C@H]1CCCN(CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000615656718 374021691 /nfs/dbraw/zinc/02/16/91/374021691.db2.gz IFQZTCVYJSSKRU-UWVGGRQHSA-N 0 3 298.343 -1.453 20 0 CAADHN CN1CCNC[C@H]1CNC(=O)C1(S(C)(=O)=O)CCC1 ZINC000572869705 373977536 /nfs/dbraw/zinc/97/75/36/373977536.db2.gz KFBHKGLEUITEMV-JTQLQIEISA-N 0 3 289.401 -1.027 20 0 CAADHN CO[C@@H](C)CN(C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000572868832 373977656 /nfs/dbraw/zinc/97/76/56/373977656.db2.gz IXXPGJWAMWYASL-WDEREUQCSA-N 0 3 286.376 -1.419 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000572958841 373977731 /nfs/dbraw/zinc/97/77/31/373977731.db2.gz NEXMESZPEKQXPR-NWDGAFQWSA-N 0 3 268.361 -1.044 20 0 CAADHN COCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573104598 373979256 /nfs/dbraw/zinc/97/92/56/373979256.db2.gz SAIFSZMMRDYPME-BDAKNGLRSA-N 0 3 256.306 -1.414 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCCC2)[C@H](CN)C1 ZINC000573315935 373979800 /nfs/dbraw/zinc/97/98/00/373979800.db2.gz OBXZQSAGFRMODJ-SNVBAGLBSA-N 0 3 254.334 -1.290 20 0 CAADHN NC(C(=O)NCC(=O)N1CCNCC1)C(F)(F)F ZINC000573204821 373979825 /nfs/dbraw/zinc/97/98/25/373979825.db2.gz OQLXWUGTEZUZCE-SSDOTTSWSA-N 0 3 268.239 -1.576 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CCn2cnccc2=O)C[C@@H]1O ZINC000573265306 373979845 /nfs/dbraw/zinc/97/98/45/373979845.db2.gz YKKFQQGNLAEJAK-QWRGUYRKSA-N 0 3 280.328 -1.233 20 0 CAADHN COCCN(C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000573309959 373979863 /nfs/dbraw/zinc/97/98/63/373979863.db2.gz MYZXNXIOHZUBQV-IJLUTSLNSA-N 0 3 289.376 -1.500 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000573309958 373979926 /nfs/dbraw/zinc/97/99/26/373979926.db2.gz MYZXNXIOHZUBQV-GRYCIOLGSA-N 0 3 289.376 -1.500 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)CC(=O)N(C)C ZINC000573188433 373980237 /nfs/dbraw/zinc/98/02/37/373980237.db2.gz JGCBGHRFWRDYPG-NSHDSACASA-N 0 3 261.366 -1.055 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCCC2)[C@@H](CN)C1 ZINC000573315934 373980370 /nfs/dbraw/zinc/98/03/70/373980370.db2.gz OBXZQSAGFRMODJ-JTQLQIEISA-N 0 3 254.334 -1.290 20 0 CAADHN CCN1CC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC000573258200 373980931 /nfs/dbraw/zinc/98/09/31/373980931.db2.gz UUOLFBZEFGMONI-JTQLQIEISA-N 0 3 292.405 -1.065 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@@H](N)CC(=O)OC)C1 ZINC000573680996 373982195 /nfs/dbraw/zinc/98/21/95/373982195.db2.gz MSIQSJCJYWVZGG-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@@H]1CCNC(=O)[C@H]1NC[C@H](O)CN1CCOCC1 ZINC000573403871 373982417 /nfs/dbraw/zinc/98/24/17/373982417.db2.gz QHAUQJNMXXZSTE-WOPDTQHZSA-N 0 3 271.361 -1.206 20 0 CAADHN Cn1ccc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCN2C)n1 ZINC000573683956 373982451 /nfs/dbraw/zinc/98/24/51/373982451.db2.gz PHGWCPSZHZYWKR-VIFPVBQESA-N 0 3 273.362 -1.398 20 0 CAADHN CN1CCN(C(=O)[C@@H](O)C2CCOCC2)[C@H](CN)C1 ZINC000573724180 373982561 /nfs/dbraw/zinc/98/25/61/373982561.db2.gz VLWKAHIBLZOOIL-NEPJUHHUSA-N 0 3 271.361 -1.125 20 0 CAADHN CN1CCN(C(=O)[C@H](O)C2CCOCC2)[C@@H](CN)C1 ZINC000573724181 373982619 /nfs/dbraw/zinc/98/26/19/373982619.db2.gz VLWKAHIBLZOOIL-NWDGAFQWSA-N 0 3 271.361 -1.125 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574055399 373983581 /nfs/dbraw/zinc/98/35/81/373983581.db2.gz WDEOQECZZODSAQ-LPEHRKFASA-N 0 3 297.359 -1.536 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)[C@H]1COC[C@H]1O ZINC000573742840 373983881 /nfs/dbraw/zinc/98/38/81/373983881.db2.gz KRRQMEDMIFPSKE-GRYCIOLGSA-N 0 3 260.334 -1.629 20 0 CAADHN CN1CC[C@H]2CCN(C(=O)C(=O)NC3CNC3)[C@@H]2C1 ZINC000573906269 373983937 /nfs/dbraw/zinc/98/39/37/373983937.db2.gz FQUALWDMZHFNAE-GXSJLCMTSA-N 0 3 266.345 -1.373 20 0 CAADHN C[C@H](NC(=O)COc1cnn(C)c1)C(=O)NCCN(C)C ZINC000573979309 373984102 /nfs/dbraw/zinc/98/41/02/373984102.db2.gz HCPLGXJDSOQEEW-JTQLQIEISA-N 0 3 297.359 -1.019 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000574055397 373984166 /nfs/dbraw/zinc/98/41/66/373984166.db2.gz WDEOQECZZODSAQ-IVZWLZJFSA-N 0 3 297.359 -1.536 20 0 CAADHN CCN1CCCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000574025467 373984536 /nfs/dbraw/zinc/98/45/36/373984536.db2.gz WFSSVKFUQLUZOJ-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCN(C)C ZINC000573826979 373984644 /nfs/dbraw/zinc/98/46/44/373984644.db2.gz YUKFHTAZWIZNQU-MRVPVSSYSA-N 0 3 269.309 -2.144 20 0 CAADHN CN1CC[C@@H]2CCN(C(=O)C(=O)NC3CNC3)[C@@H]2C1 ZINC000573906271 373985138 /nfs/dbraw/zinc/98/51/38/373985138.db2.gz FQUALWDMZHFNAE-MWLCHTKSSA-N 0 3 266.345 -1.373 20 0 CAADHN COC(=O)c1cn(CC(=O)N2CCN(C)C[C@H]2CN)nn1 ZINC000573967098 373985241 /nfs/dbraw/zinc/98/52/41/373985241.db2.gz QSBJERGPIMWGLD-SECBINFHSA-N 0 3 296.331 -1.834 20 0 CAADHN CCOC[C@H](O)CN[C@H](CO)CN1CCOCC1 ZINC000577870825 373986169 /nfs/dbraw/zinc/98/61/69/373986169.db2.gz SWUKTGXXEXCMHK-NWDGAFQWSA-N 0 3 262.350 -1.334 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000575401625 373986280 /nfs/dbraw/zinc/98/62/80/373986280.db2.gz BFQMJZUIIOTQHY-VIFPVBQESA-N 0 3 290.327 -1.423 20 0 CAADHN CC(C)(C)CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000577867953 373986777 /nfs/dbraw/zinc/98/67/77/373986777.db2.gz JZVOKFYLDFGUAF-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN O=C1CCN(CCOCCN2CCNC(=O)CC2)CCN1 ZINC000178636235 373988919 /nfs/dbraw/zinc/98/89/19/373988919.db2.gz ZCWJZPGXNSODOO-UHFFFAOYSA-N 0 3 298.387 -1.353 20 0 CAADHN C[N@H+](C[C@H](O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1)C1CC1 ZINC000577988389 373988983 /nfs/dbraw/zinc/98/89/83/373988983.db2.gz OFAQQXYHNSFGTD-WDEREUQCSA-N 0 3 282.344 -1.323 20 0 CAADHN C[N@@H+](C[C@H](O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1)C1CC1 ZINC000577988389 373988990 /nfs/dbraw/zinc/98/89/90/373988990.db2.gz OFAQQXYHNSFGTD-WDEREUQCSA-N 0 3 282.344 -1.323 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@H](CN)OC ZINC000578324604 373990335 /nfs/dbraw/zinc/99/03/35/373990335.db2.gz PEMRVRKLPAFEMP-VGMNWLOBSA-N 0 3 260.290 -1.515 20 0 CAADHN C[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)O1 ZINC000578336223 373990516 /nfs/dbraw/zinc/99/05/16/373990516.db2.gz VZUXENUKOYNTNX-GRYCIOLGSA-N 0 3 298.387 -1.229 20 0 CAADHN CN(C)C[C@H]1CCCN1C(=O)CN1CCNCC1=O ZINC000578130604 373991750 /nfs/dbraw/zinc/99/17/50/373991750.db2.gz SOGKIDISQGCAIB-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CO[C@H](C)CS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578550349 373993038 /nfs/dbraw/zinc/99/30/38/373993038.db2.gz DEMMEMPVZWIVRW-UTLUCORTSA-N 0 3 291.373 -1.405 20 0 CAADHN N[C@@H]1C[C@H]2CN(Cc3nnnn3C3CC3)CCN2C1=O ZINC000578523931 373993480 /nfs/dbraw/zinc/99/34/80/373993480.db2.gz VTWZQRRFEQMDAP-VHSXEESVSA-N 0 3 277.332 -1.248 20 0 CAADHN CN(C)CC(=O)NCC1(NC(=O)CN(C)C)CC1 ZINC000578424224 373993921 /nfs/dbraw/zinc/99/39/21/373993921.db2.gz OHWOHFQKVIBVDY-UHFFFAOYSA-N 0 3 256.350 -1.125 20 0 CAADHN COCCS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578379540 373993939 /nfs/dbraw/zinc/99/39/39/373993939.db2.gz BWISPOFNSVUHEF-DTWKUNHWSA-N 0 3 277.346 -1.794 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C[C@H]1CO ZINC000621847755 374078815 /nfs/dbraw/zinc/07/88/15/374078815.db2.gz KAQTUBATWMNNLM-GRYCIOLGSA-N 0 3 299.371 -1.432 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C[C@@H]1CO ZINC000621847756 374078983 /nfs/dbraw/zinc/07/89/83/374078983.db2.gz KAQTUBATWMNNLM-IJLUTSLNSA-N 0 3 299.371 -1.432 20 0 CAADHN C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)C ZINC000046271588 374031090 /nfs/dbraw/zinc/03/10/90/374031090.db2.gz PGBJBYRIFROLBG-QMMMGPOBSA-N 0 3 251.352 -1.056 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000615850787 374034552 /nfs/dbraw/zinc/03/45/52/374034552.db2.gz RVPDVJYAOMCEKT-VHSXEESVSA-N 0 3 290.389 -1.455 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000061650207 374036736 /nfs/dbraw/zinc/03/67/36/374036736.db2.gz CHCZDALSUSPOKH-VHSXEESVSA-N 0 3 266.305 -1.348 20 0 CAADHN CCC(=O)N1CC[C@H](NC(=O)C(=O)N(CC)CCN)C1 ZINC000627288461 374042225 /nfs/dbraw/zinc/04/22/25/374042225.db2.gz YFSLURMLQWJKDX-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CN1C(=O)CC[C@H](NC[C@@H](O)Cn2cccn2)C1=O ZINC000090030506 374043933 /nfs/dbraw/zinc/04/39/33/374043933.db2.gz GFKGMQKDGJUYJI-ZJUUUORDSA-N 0 3 266.301 -1.019 20 0 CAADHN Cn1cc(S(=O)(=O)NC2CNC2)cc1C(N)=O ZINC000090289360 374044342 /nfs/dbraw/zinc/04/43/42/374044342.db2.gz KUOWQXVAOJBCJF-UHFFFAOYSA-N 0 3 258.303 -1.626 20 0 CAADHN CN1C(=O)CC[C@@H](NC[C@@H](O)CN2CCOCC2)C1=O ZINC000090029864 374044367 /nfs/dbraw/zinc/04/43/67/374044367.db2.gz ZRIOELWEGCYRCX-GHMZBOCLSA-N 0 3 285.344 -1.584 20 0 CAADHN Cn1cc(N2CCC[C@H](Nc3nc(N)nc(N)n3)C2)cn1 ZINC000623995277 374081714 /nfs/dbraw/zinc/08/17/14/374081714.db2.gz SOIHTJLHHATKQW-QMMMGPOBSA-N 0 3 289.347 -1.067 20 0 CAADHN CN1CCC[C@H](NC(=O)NCCS(N)(=O)=O)C1 ZINC000618555749 374049684 /nfs/dbraw/zinc/04/96/84/374049684.db2.gz FOQQDESZMJCBDI-QMMMGPOBSA-N 0 3 264.351 -1.332 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@H]1CC(=O)N1 ZINC000618299843 374050190 /nfs/dbraw/zinc/05/01/90/374050190.db2.gz CEDPGGQESDJULO-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)NCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618306936 374050624 /nfs/dbraw/zinc/05/06/24/374050624.db2.gz OWFRDQCPUKUNNU-UHFFFAOYSA-N 0 3 287.364 -1.606 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1nc[nH]n1 ZINC000618306537 374050764 /nfs/dbraw/zinc/05/07/64/374050764.db2.gz AHKXIWOSPGLBOT-UHFFFAOYSA-N 0 3 268.321 -1.103 20 0 CAADHN CC(=O)NCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618299901 374050791 /nfs/dbraw/zinc/05/07/91/374050791.db2.gz FRKAZENRZQWKLD-UHFFFAOYSA-N 0 3 272.349 -1.399 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618302284 374050809 /nfs/dbraw/zinc/05/08/09/374050809.db2.gz JTBCXEJFJBXRGI-VIFPVBQESA-N 0 3 287.364 -1.478 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000618300215 374051099 /nfs/dbraw/zinc/05/10/99/374051099.db2.gz QIQKGJRGMQWZGN-SNVBAGLBSA-N 0 3 299.375 -1.512 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCC(=O)N2)CC1=O ZINC000619142043 374053963 /nfs/dbraw/zinc/05/39/63/374053963.db2.gz LBUMETBMHROUEL-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)C1(CNC(=O)C(=O)NC[C@H]2COCCN2)CCC1 ZINC000627342130 374081986 /nfs/dbraw/zinc/08/19/86/374081986.db2.gz WZLSJCRNSIQVRS-NSHDSACASA-N 0 3 298.387 -1.309 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000108298615 374056102 /nfs/dbraw/zinc/05/61/02/374056102.db2.gz QJYGGDDMXKNLBW-LBPRGKRZSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)NC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405240773 374056356 /nfs/dbraw/zinc/05/63/56/374056356.db2.gz HLCQGCRGPZFKGO-VHSXEESVSA-N 0 3 270.333 -1.417 20 0 CAADHN CNC(=O)NC(=O)CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405281412 374056440 /nfs/dbraw/zinc/05/64/40/374056440.db2.gz ZQQCTJUFWULZDG-VHSXEESVSA-N 0 3 270.333 -1.417 20 0 CAADHN CCCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000619898748 374059286 /nfs/dbraw/zinc/05/92/86/374059286.db2.gz HSTLAHSRURFBFM-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC000619903571 374059379 /nfs/dbraw/zinc/05/93/79/374059379.db2.gz DQZUPYSFIVRGGZ-FDYHWXHSSA-N 0 3 284.356 -1.000 20 0 CAADHN CCCN1CC[C@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC000619903574 374059642 /nfs/dbraw/zinc/05/96/42/374059642.db2.gz DQZUPYSFIVRGGZ-UMSGYPCISA-N 0 3 284.356 -1.000 20 0 CAADHN CCCN1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC000619895613 374059962 /nfs/dbraw/zinc/05/99/62/374059962.db2.gz VSXFYBUJUFNFNF-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN CCCN1CC[C@@H](NC(=O)[C@H](CO)NC(N)=O)C1 ZINC000619898044 374060095 /nfs/dbraw/zinc/06/00/95/374060095.db2.gz PAHMILFDAGALNF-BDAKNGLRSA-N 0 3 258.322 -1.384 20 0 CAADHN CCCN1CC[C@@H](NC(=O)[C@@H](CO)NC(N)=O)C1 ZINC000619898047 374060183 /nfs/dbraw/zinc/06/01/83/374060183.db2.gz PAHMILFDAGALNF-RKDXNWHRSA-N 0 3 258.322 -1.384 20 0 CAADHN CCCN1CC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC000619903670 374060501 /nfs/dbraw/zinc/06/05/01/374060501.db2.gz GAANAGVUUPGODY-VIFPVBQESA-N 0 3 278.378 -1.359 20 0 CAADHN CC[C@@H]1CN(C(=O)CNS(=O)(=O)NC)C[C@H](C)N1 ZINC000620897928 374064494 /nfs/dbraw/zinc/06/44/94/374064494.db2.gz GUROSEAHGVQHEO-DTWKUNHWSA-N 0 3 278.378 -1.361 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621158089 374065982 /nfs/dbraw/zinc/06/59/82/374065982.db2.gz IRJWSEZXLACCSU-SECBINFHSA-N 0 3 278.378 -1.503 20 0 CAADHN CC[C@@H]1CN(C(=O)C[C@H](NC(C)=O)C(N)=O)C[C@H](C)N1 ZINC000620903355 374066419 /nfs/dbraw/zinc/06/64/19/374066419.db2.gz OBOWWWWPIAWFAM-GDPRMGEGSA-N 0 3 284.360 -1.035 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621154301 374066623 /nfs/dbraw/zinc/06/66/23/374066623.db2.gz JPNQVEYCGJXQDQ-SECBINFHSA-N 0 3 263.363 -1.008 20 0 CAADHN CC(C)[C@H]1CN(C(=O)[C@@H](CO)NC(N)=O)CCN1 ZINC000621156078 374066634 /nfs/dbraw/zinc/06/66/34/374066634.db2.gz SFCCBKYAOQMIAT-RKDXNWHRSA-N 0 3 258.322 -1.528 20 0 CAADHN CC[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H](C)N1 ZINC000620902933 374066926 /nfs/dbraw/zinc/06/69/26/374066926.db2.gz CMYNETVMFCEMBH-DTWKUNHWSA-N 0 3 280.332 -1.024 20 0 CAADHN CC(C)[C@H]1CN(C(=O)CN2CC(=O)NC2=O)CCN1 ZINC000621153329 374067042 /nfs/dbraw/zinc/06/70/42/374067042.db2.gz PYKWVSSLRMOEKR-SECBINFHSA-N 0 3 268.317 -1.005 20 0 CAADHN CNS(=O)(=O)CCN[C@](C)(CCO)COC ZINC000621262009 374068507 /nfs/dbraw/zinc/06/85/07/374068507.db2.gz LNINBMJGTLGVPL-SECBINFHSA-N 0 3 254.352 -1.087 20 0 CAADHN CNC(=O)[C@]1(C)CCN(CCS(=O)(=O)NC)C1 ZINC000621289538 374068939 /nfs/dbraw/zinc/06/89/39/374068939.db2.gz JNUPWQSNYONHIE-SNVBAGLBSA-N 0 3 263.363 -1.006 20 0 CAADHN CNS(=O)(=O)CCN1CC[C@H](C(=O)N(C)C)C1 ZINC000621302272 374071068 /nfs/dbraw/zinc/07/10/68/374071068.db2.gz ZJWFEADCKXHNOG-VIFPVBQESA-N 0 3 263.363 -1.054 20 0 CAADHN CNS(=O)(=O)CCN1CC[C@@H](C(=O)N(C)C)C1 ZINC000621302271 374071348 /nfs/dbraw/zinc/07/13/48/374071348.db2.gz ZJWFEADCKXHNOG-SECBINFHSA-N 0 3 263.363 -1.054 20 0 CAADHN CNS(=O)(=O)CCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000621296480 374071370 /nfs/dbraw/zinc/07/13/70/374071370.db2.gz URYZZEGOLWTGIR-IUCAKERBSA-N 0 3 251.352 -1.858 20 0 CAADHN CNS(=O)(=O)CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000621312716 374071474 /nfs/dbraw/zinc/07/14/74/374071474.db2.gz DLXJHCIFPUPXAX-VHSXEESVSA-N 0 3 263.363 -1.714 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000627319824 374073875 /nfs/dbraw/zinc/07/38/75/374073875.db2.gz HYZYOZZWYFYGRQ-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(C)[C@@H](C(=O)NCCOCCS(N)(=O)=O)N(C)C ZINC000622050152 374083124 /nfs/dbraw/zinc/08/31/24/374083124.db2.gz BSOFCBIKBMZRIS-JTQLQIEISA-N 0 3 295.405 -1.006 20 0 CAADHN CC(=O)N1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000621579032 374074951 /nfs/dbraw/zinc/07/49/51/374074951.db2.gz QYKLQZYAYLVXLH-WOPDTQHZSA-N 0 3 284.360 -1.077 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCOCC1)C1CC1 ZINC000312075670 374076526 /nfs/dbraw/zinc/07/65/26/374076526.db2.gz QAEFLMAVEKRRHA-GFCCVEGCSA-N 0 3 271.361 -1.110 20 0 CAADHN [NH3+][C@]12CCC[C@H]1CN(C(=O)CN1CC(=O)[N-]C1=O)C2 ZINC000621690392 374076848 /nfs/dbraw/zinc/07/68/48/374076848.db2.gz UDFFIQXKOOUNHF-UFBFGSQYSA-N 0 3 266.301 -1.122 20 0 CAADHN CC1(C)CN(c2nc(N)nc(N)n2)C[C@H](CO)O1 ZINC000624287888 374110075 /nfs/dbraw/zinc/11/00/75/374110075.db2.gz VXVNUCQUBOSQBN-ZCFIWIBFSA-N 0 3 254.294 -1.327 20 0 CAADHN CC(C)(CNc1nc(N)nc(N)n1)[C@]1(O)CCOC1 ZINC000624330866 374110152 /nfs/dbraw/zinc/11/01/52/374110152.db2.gz HSYWPUGZPUHPHQ-NSHDSACASA-N 0 3 268.321 -1.292 20 0 CAADHN CCS(=O)(=O)C1CN(c2nc(N)nc(N)n2)C1 ZINC000624256954 374110182 /nfs/dbraw/zinc/11/01/82/374110182.db2.gz OLLDVOABRIQAQR-UHFFFAOYSA-N 0 3 258.307 -1.680 20 0 CAADHN C[C@@H]1CN(c2nc(N)nc(N)n2)C[C@H](C)N1CCO ZINC000624256563 374110358 /nfs/dbraw/zinc/11/03/58/374110358.db2.gz ZDXMHZHDZGPOMT-OCAPTIKFSA-N 0 3 267.337 -1.412 20 0 CAADHN CCCN1C[C@H](CNc2nc(N)nc(N)n2)CC1=O ZINC000624287911 374110396 /nfs/dbraw/zinc/11/03/96/374110396.db2.gz XBJPCXJJPMRRGK-ZETCQYMHSA-N 0 3 265.321 -1.211 20 0 CAADHN C[C@@H]1CN(c2nc(N)nc(N)n2)[C@H](C)CN1CCO ZINC000624286463 374110951 /nfs/dbraw/zinc/11/09/51/374110951.db2.gz YNGTVBZPJHUQAE-HTQZYQBOSA-N 0 3 267.337 -1.412 20 0 CAADHN CN(C)CCN1CCN(c2nc(N)nc(N)n2)CC1=O ZINC000624347673 374111006 /nfs/dbraw/zinc/11/10/06/374111006.db2.gz YCJHWOFKMVCOOJ-UHFFFAOYSA-N 0 3 280.336 -2.093 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2C[C@@H]3CCCCN3C2=O)n1 ZINC000624268944 374111222 /nfs/dbraw/zinc/11/12/22/374111222.db2.gz PRDGXGXSERTXQH-NKWVEPMBSA-N 0 3 263.305 -1.316 20 0 CAADHN CC1(C)CN(c2nc(N)nc(N)n2)C[C@@H](CO)O1 ZINC000624287887 374111477 /nfs/dbraw/zinc/11/14/77/374111477.db2.gz VXVNUCQUBOSQBN-LURJTMIESA-N 0 3 254.294 -1.327 20 0 CAADHN CN1CC[C@H](CNc2nc(N)nc(N)n2)CC1=O ZINC000624293588 374111612 /nfs/dbraw/zinc/11/16/12/374111612.db2.gz LNAKVBBJQQSVPY-LURJTMIESA-N 0 3 251.294 -1.601 20 0 CAADHN CN1C(=O)CC[C@@H](Nc2nc(N)nc(N)n2)C1=O ZINC000624296945 374111776 /nfs/dbraw/zinc/11/17/76/374111776.db2.gz LCSBMHAPLQETSU-SCSAIBSYSA-N 0 3 251.250 -2.322 20 0 CAADHN CN1CC[C@@H](CNc2nc(N)nc(N)n2)CC1=O ZINC000624293589 374111835 /nfs/dbraw/zinc/11/18/35/374111835.db2.gz LNAKVBBJQQSVPY-ZCFIWIBFSA-N 0 3 251.294 -1.601 20 0 CAADHN COc1cc(NCCCNc2nc(N)nc(N)n2)ncn1 ZINC000624286413 374112194 /nfs/dbraw/zinc/11/21/94/374112194.db2.gz WIQHBTVQKGMVOJ-UHFFFAOYSA-N 0 3 291.319 -1.169 20 0 CAADHN C[C@@H]1CN(CCO)[C@@H](C)CN1c1nc(N)nc(N)n1 ZINC000624286464 374112265 /nfs/dbraw/zinc/11/22/65/374112265.db2.gz YNGTVBZPJHUQAE-JGVFFNPUSA-N 0 3 267.337 -1.412 20 0 CAADHN Cn1cc([C@@H]2CN(S(=O)(=O)C3COC3)C[C@H]2N)cn1 ZINC000624373483 374113204 /nfs/dbraw/zinc/11/32/04/374113204.db2.gz OQNUDYIQFWSOLF-WDEREUQCSA-N 0 3 286.357 -1.125 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)c1nc(N)nc(N)n1 ZINC000624397174 374113314 /nfs/dbraw/zinc/11/33/14/374113314.db2.gz RFKPBTJHGVNSAE-UHFFFAOYSA-N 0 3 282.352 -1.847 20 0 CAADHN Cc1cnn(C)c1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000624370815 374113370 /nfs/dbraw/zinc/11/33/70/374113370.db2.gz XFGUJNZTAUEZJJ-VIFPVBQESA-N 0 3 274.346 -1.005 20 0 CAADHN Nc1nc(N)nc(N2CC[C@@H](Cn3ccnn3)C2)n1 ZINC000624385449 374114278 /nfs/dbraw/zinc/11/42/78/374114278.db2.gz DUTFVMRUDZQRBU-SSDOTTSWSA-N 0 3 261.293 -1.185 20 0 CAADHN Nc1nc(N)nc(NC[C@]2(OCCO)CCOC2)n1 ZINC000624391957 374114453 /nfs/dbraw/zinc/11/44/53/374114453.db2.gz HNNZBFGJEHLIJW-SNVBAGLBSA-N 0 3 270.293 -2.301 20 0 CAADHN CO[C@@H](CNc1nc(N)nc(N)n1)[C@@H]1CCOC1 ZINC000624384912 374114517 /nfs/dbraw/zinc/11/45/17/374114517.db2.gz JXEITUDQVPPLNP-RQJHMYQMSA-N 0 3 254.294 -1.418 20 0 CAADHN CO[C@H](CNc1nc(N)nc(N)n1)[C@@H]1CCOC1 ZINC000624384911 374114637 /nfs/dbraw/zinc/11/46/37/374114637.db2.gz JXEITUDQVPPLNP-RNFRBKRXSA-N 0 3 254.294 -1.418 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000627371924 374116039 /nfs/dbraw/zinc/11/60/39/374116039.db2.gz WDPGUSOWSSUEIQ-SNVBAGLBSA-N 0 3 294.359 -1.175 20 0 CAADHN C[C@@H](CNC(=O)C(=O)NC[C@H]1COCCN1)N(C)C1CC1 ZINC000627372749 374116125 /nfs/dbraw/zinc/11/61/25/374116125.db2.gz WDFQOBNSROXWBP-QWRGUYRKSA-N 0 3 298.387 -1.310 20 0 CAADHN CCN(CCNC(=O)C(=O)NC[C@H]1COCCN1)C1CC1 ZINC000627365283 374117090 /nfs/dbraw/zinc/11/70/90/374117090.db2.gz KPDRSPUSHSWVCD-NSHDSACASA-N 0 3 298.387 -1.309 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000627358260 374117163 /nfs/dbraw/zinc/11/71/63/374117163.db2.gz FAKJRCOJSGJMOR-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN CCOC[C@H]1CN(C(=O)C(=O)NCCN)CCO1 ZINC000627399350 374118001 /nfs/dbraw/zinc/11/80/01/374118001.db2.gz OORFFFZGJUKCOW-SECBINFHSA-N 0 3 259.306 -1.675 20 0 CAADHN NCCNC(=O)C(=O)NC[C@@H]1CCCN1CC(F)F ZINC000627399143 374118260 /nfs/dbraw/zinc/11/82/60/374118260.db2.gz GZLFHMARTQVPON-QMMMGPOBSA-N 0 3 278.303 -1.093 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627389494 374118673 /nfs/dbraw/zinc/11/86/73/374118673.db2.gz GMVOBEGIZHRALB-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN CC1(N2CCOCC2)CCN(C(=O)C(=O)NCCN)CC1 ZINC000627399206 374118702 /nfs/dbraw/zinc/11/87/02/374118702.db2.gz IZJWDYRNXNHTSW-UHFFFAOYSA-N 0 3 298.387 -1.225 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCOC[C@H]1CCOC1 ZINC000627386380 374119334 /nfs/dbraw/zinc/11/93/34/374119334.db2.gz NAAMVRXGVGVEIN-NSHDSACASA-N 0 3 287.360 -1.037 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000627412139 374120839 /nfs/dbraw/zinc/12/08/39/374120839.db2.gz DICDOXRLLFEKBK-MNOVXSKESA-N 0 3 284.360 -1.713 20 0 CAADHN CCOC[C@@H]1CN(C(=O)C(=O)NC2CNC2)CCO1 ZINC000627407260 374121033 /nfs/dbraw/zinc/12/10/33/374121033.db2.gz LZRJGLGRCHVCNR-JTQLQIEISA-N 0 3 271.317 -1.662 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627429058 374123150 /nfs/dbraw/zinc/12/31/50/374123150.db2.gz WPJLMATUZPPYJX-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000627468361 374126540 /nfs/dbraw/zinc/12/65/40/374126540.db2.gz QSRKBLHIGJLMOW-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)NC[C@H]1COCCN1C ZINC000627468053 374126744 /nfs/dbraw/zinc/12/67/44/374126744.db2.gz JCAGSPWBOUAANT-UWVGGRQHSA-N 0 3 272.349 -1.761 20 0 CAADHN CN(CCN)C(=O)C(=O)NC[C@@H]1COCCN1C ZINC000627468478 374126878 /nfs/dbraw/zinc/12/68/78/374126878.db2.gz VTXOSQOLFKXVCC-SECBINFHSA-N 0 3 258.322 -2.150 20 0 CAADHN CN(CCN)C(=O)C(=O)NC[C@H]1COCCN1C ZINC000627468479 374126959 /nfs/dbraw/zinc/12/69/59/374126959.db2.gz VTXOSQOLFKXVCC-VIFPVBQESA-N 0 3 258.322 -2.150 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CN ZINC000627468573 374127956 /nfs/dbraw/zinc/12/79/56/374127956.db2.gz YVKOIFJSTWRLHJ-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN CCN(CCN)C(=O)C(=O)NC[C@@H]1COCCN1C ZINC000627468591 374129190 /nfs/dbraw/zinc/12/91/90/374129190.db2.gz ZDRIIGLQGHYSDA-SNVBAGLBSA-N 0 3 272.349 -1.760 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627473631 374131066 /nfs/dbraw/zinc/13/10/66/374131066.db2.gz RPMJDRJTVWQKFL-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627473629 374131105 /nfs/dbraw/zinc/13/11/05/374131105.db2.gz RPMJDRJTVWQKFL-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627475598 374131468 /nfs/dbraw/zinc/13/14/68/374131468.db2.gz QBXUTEVOEBMESD-NSHDSACASA-N 0 3 298.387 -1.356 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC(C)(C)CN(C)C ZINC000622098829 374085197 /nfs/dbraw/zinc/08/51/97/374085197.db2.gz SPCCODCBXMSXFJ-UHFFFAOYSA-N 0 3 272.349 -1.305 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H]1CCCCN1CCO ZINC000622629796 374089443 /nfs/dbraw/zinc/08/94/43/374089443.db2.gz BPYAAZSWTYGHQK-JTQLQIEISA-N 0 3 268.321 -1.364 20 0 CAADHN Nc1nc(N)nc(N2CCC[C@H]2C(=O)NC2CC2)n1 ZINC000623847986 374091199 /nfs/dbraw/zinc/09/11/99/374091199.db2.gz APBGQOUPOPETIU-ZETCQYMHSA-N 0 3 263.305 -1.056 20 0 CAADHN CS(=O)(=O)N1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623829550 374092063 /nfs/dbraw/zinc/09/20/63/374092063.db2.gz LYPXOHOXZGUJFZ-UHFFFAOYSA-N 0 3 287.349 -2.045 20 0 CAADHN Nc1nc(N)nc(NC[C@H](CO)Cc2ccco2)n1 ZINC000623833699 374092110 /nfs/dbraw/zinc/09/21/10/374092110.db2.gz UKUDFBHHRHECIJ-SSDOTTSWSA-N 0 3 264.289 -1.025 20 0 CAADHN Nc1nc(N)nc(N2CCN(c3cnccn3)CC2)n1 ZINC000623844984 374092150 /nfs/dbraw/zinc/09/21/50/374092150.db2.gz ODIOHJPATCLLJK-UHFFFAOYSA-N 0 3 273.304 -1.187 20 0 CAADHN CCNC(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623816563 374092331 /nfs/dbraw/zinc/09/23/31/374092331.db2.gz DWNZBLQSLIFVOA-UHFFFAOYSA-N 0 3 266.309 -1.452 20 0 CAADHN CN(CCCNc1nc(N)nc(N)n1)S(C)(=O)=O ZINC000623854556 374092450 /nfs/dbraw/zinc/09/24/50/374092450.db2.gz CDTHTZDAGYBOTM-UHFFFAOYSA-N 0 3 275.338 -2.188 20 0 CAADHN CC(C)(C)NS(=O)(=O)CCNc1nc(N)nc(N)n1 ZINC000623847283 374092507 /nfs/dbraw/zinc/09/25/07/374092507.db2.gz MFSWJQCSMHUDIS-UHFFFAOYSA-N 0 3 289.365 -1.752 20 0 CAADHN CN1CCN(CCNc2nc(N)nc(N)n2)CC1 ZINC000623821847 374092783 /nfs/dbraw/zinc/09/27/83/374092783.db2.gz IREAAHCRYOUKCU-UHFFFAOYSA-N 0 3 252.326 -2.222 20 0 CAADHN Nc1nc(N)nc(N[C@H]2CCCN(c3ncccn3)C2)n1 ZINC000623872003 374093714 /nfs/dbraw/zinc/09/37/14/374093714.db2.gz RSGWBSIQOWJAPB-QMMMGPOBSA-N 0 3 287.331 -1.010 20 0 CAADHN CCS(=O)(=O)NCCCNc1nc(N)nc(N)n1 ZINC000623910173 374093999 /nfs/dbraw/zinc/09/39/99/374093999.db2.gz BMHVISQRPFIBFV-UHFFFAOYSA-N 0 3 275.338 -2.140 20 0 CAADHN CC(=O)N1CCC(CNc2nc(N)nc(N)n2)CC1 ZINC000623942781 374094074 /nfs/dbraw/zinc/09/40/74/374094074.db2.gz SUMFENQHLRVTLR-UHFFFAOYSA-N 0 3 265.321 -1.211 20 0 CAADHN Nc1nc(N)nc(NCC(=O)NC2CCCC2)n1 ZINC000623908751 374094154 /nfs/dbraw/zinc/09/41/54/374094154.db2.gz ORKFKUOOIZYDOG-UHFFFAOYSA-N 0 3 251.294 -1.411 20 0 CAADHN CC(C)(C)C(=O)NCCNc1nc(N)nc(N)n1 ZINC000623914287 374094301 /nfs/dbraw/zinc/09/43/01/374094301.db2.gz SUDLLVJPFXJNAO-UHFFFAOYSA-N 0 3 253.310 -1.307 20 0 CAADHN CC(C)N1C[C@H](Nc2nc(N)nc(N)n2)CC1=O ZINC000623927576 374095007 /nfs/dbraw/zinc/09/50/07/374095007.db2.gz MQEUJERPOQXJQQ-ZCFIWIBFSA-N 0 3 251.294 -1.460 20 0 CAADHN C[C@@H]1CC[C@@H](C(N)=O)CN1c1nc(N)nc(N)n1 ZINC000623871567 374095340 /nfs/dbraw/zinc/09/53/40/374095340.db2.gz HVQYDWYYQXQODU-PHDIDXHHSA-N 0 3 251.294 -1.213 20 0 CAADHN CCS(=O)(=O)N(C)CCCNc1nc(N)nc(N)n1 ZINC000623857134 374095664 /nfs/dbraw/zinc/09/56/64/374095664.db2.gz JJXWFTKYBAAALC-UHFFFAOYSA-N 0 3 289.365 -1.798 20 0 CAADHN Nc1nc(N)nc(NCC(=O)NC2CCCCC2)n1 ZINC000623908470 374095753 /nfs/dbraw/zinc/09/57/53/374095753.db2.gz CFRYNTAMGVVYQJ-UHFFFAOYSA-N 0 3 265.321 -1.021 20 0 CAADHN C[C@@H]1CN(CCNc2nc(N)nc(N)n2)CCO1 ZINC000623924795 374095819 /nfs/dbraw/zinc/09/58/19/374095819.db2.gz MWBSSVZFOBVBNL-SSDOTTSWSA-N 0 3 253.310 -1.749 20 0 CAADHN COCCN1CCCN(c2nc(N)nc(N)n2)CC1 ZINC000623865323 374095969 /nfs/dbraw/zinc/09/59/69/374095969.db2.gz OQVPLNBQOIRKEA-UHFFFAOYSA-N 0 3 267.337 -1.145 20 0 CAADHN Nc1nc(N)nc(NCCCCN2CCOCC2)n1 ZINC000623864002 374096409 /nfs/dbraw/zinc/09/64/09/374096409.db2.gz CYUJAPPIYAMXJS-UHFFFAOYSA-N 0 3 267.337 -1.357 20 0 CAADHN C[C@@H](O)CN1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623936135 374096449 /nfs/dbraw/zinc/09/64/49/374096449.db2.gz FIRLIODCTBAUIP-SSDOTTSWSA-N 0 3 253.310 -1.800 20 0 CAADHN CNC(=O)[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623960944 374097758 /nfs/dbraw/zinc/09/77/58/374097758.db2.gz MXZCDSLCUQIQDF-ZCFIWIBFSA-N 0 3 251.294 -1.341 20 0 CAADHN CN(CCN1CCCC1=O)c1nc(N)nc(N)n1 ZINC000623968221 374097810 /nfs/dbraw/zinc/09/78/10/374097810.db2.gz YCPLCYVYTNEUFH-UHFFFAOYSA-N 0 3 251.294 -1.245 20 0 CAADHN CC(C)N1CC[C@H](Nc2nc(N)nc(N)n2)C1=O ZINC000623972906 374097920 /nfs/dbraw/zinc/09/79/20/374097920.db2.gz AWOHGDRGUSSOHZ-LURJTMIESA-N 0 3 251.294 -1.460 20 0 CAADHN C[C@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000019677185 374097951 /nfs/dbraw/zinc/09/79/51/374097951.db2.gz GMMDGSCTURPUFI-QMMMGPOBSA-N 0 3 264.351 -1.716 20 0 CAADHN C[C@H](CNc1nc(N)nc(N)n1)CN1CCOCC1 ZINC000623985022 374098137 /nfs/dbraw/zinc/09/81/37/374098137.db2.gz BLNFYAFVRVDDJE-MRVPVSSYSA-N 0 3 267.337 -1.501 20 0 CAADHN CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000623989422 374098320 /nfs/dbraw/zinc/09/83/20/374098320.db2.gz WXVLCBJMTIKTHM-RNFRBKRXSA-N 0 3 286.361 -1.114 20 0 CAADHN CC(C)[C@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000019677244 374098475 /nfs/dbraw/zinc/09/84/75/374098475.db2.gz YJSMVFIEAUGGFU-JTQLQIEISA-N 0 3 292.405 -1.080 20 0 CAADHN NC(=O)C1(CNc2nc(N)nc(N)n2)CCCC1 ZINC000623975943 374098776 /nfs/dbraw/zinc/09/87/76/374098776.db2.gz UEQBMUIBLIHSDM-UHFFFAOYSA-N 0 3 251.294 -1.424 20 0 CAADHN COCCN1CCC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000623951271 374098917 /nfs/dbraw/zinc/09/89/17/374098917.db2.gz GTMVGADXLJQTMB-MRVPVSSYSA-N 0 3 267.337 -1.359 20 0 CAADHN Cn1cc(N2CC[C@@H](Nc3nc(N)nc(N)n3)C2=O)cn1 ZINC000623980350 374099039 /nfs/dbraw/zinc/09/90/39/374099039.db2.gz DGRAKPNIUCPDBK-SSDOTTSWSA-N 0 3 289.303 -1.930 20 0 CAADHN Nc1nc(N)nc(NCC[C@@H](O)C(F)(F)F)n1 ZINC000623963458 374099374 /nfs/dbraw/zinc/09/93/74/374099374.db2.gz IDNIAZRAMMZMNE-GSVOUGTGSA-N 0 3 252.200 -1.156 20 0 CAADHN C[C@@H]1C[C@H]1N1C[C@@H](Nc2nc(N)nc(N)n2)CC1=O ZINC000624005367 374100750 /nfs/dbraw/zinc/10/07/50/374100750.db2.gz PADVRABNWDJDCT-DSYKOEDSSA-N 0 3 263.305 -1.460 20 0 CAADHN CC(C)(C)N1C[C@@H](Nc2nc(N)nc(N)n2)CC1=O ZINC000624014483 374100996 /nfs/dbraw/zinc/10/09/96/374100996.db2.gz ZUJDQUMNANYLSP-LURJTMIESA-N 0 3 265.321 -1.070 20 0 CAADHN NC(=O)[C@@H]1CCCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624036420 374101034 /nfs/dbraw/zinc/10/10/34/374101034.db2.gz LQEZZJZILVKLSO-PHDIDXHHSA-N 0 3 251.294 -1.425 20 0 CAADHN CC(C)c1nncn1CCNc1nc(N)nc(N)n1 ZINC000624008781 374101104 /nfs/dbraw/zinc/10/11/04/374101104.db2.gz GYNJVEMXFHKDJY-UHFFFAOYSA-N 0 3 263.309 -1.054 20 0 CAADHN C[C@@H]1C[C@H]1N1C[C@H](Nc2nc(N)nc(N)n2)CC1=O ZINC000624005368 374101987 /nfs/dbraw/zinc/10/19/87/374101987.db2.gz PADVRABNWDJDCT-FSDSQADBSA-N 0 3 263.305 -1.460 20 0 CAADHN CS(=O)(=O)[C@H]1CCC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000623989423 374102118 /nfs/dbraw/zinc/10/21/18/374102118.db2.gz WXVLCBJMTIKTHM-RQJHMYQMSA-N 0 3 286.361 -1.114 20 0 CAADHN CN(C)C(=O)CCN1CCN(c2nc(N)nc(N)n2)CC1 ZINC000624037021 374102168 /nfs/dbraw/zinc/10/21/68/374102168.db2.gz JCEBLWLDEHBWAH-UHFFFAOYSA-N 0 3 294.363 -1.703 20 0 CAADHN CC(=O)N1CCN(c2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000624038929 374102338 /nfs/dbraw/zinc/10/23/38/374102338.db2.gz VDOIGGDNESMXSR-LURJTMIESA-N 0 3 251.294 -1.246 20 0 CAADHN CC(C)(CNc1nc(N)nc(N)n1)S(C)(=O)=O ZINC000624022099 374102472 /nfs/dbraw/zinc/10/24/72/374102472.db2.gz BTBLUXNZJSUQAT-UHFFFAOYSA-N 0 3 260.323 -1.646 20 0 CAADHN Nc1nc(N)nc(N2CC[C@H](CN3CCOCC3)C2)n1 ZINC000623997182 374102740 /nfs/dbraw/zinc/10/27/40/374102740.db2.gz DQLYSTZYJICICV-SECBINFHSA-N 0 3 279.348 -1.145 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)c1nc(N)nc(N)n1 ZINC000624025624 374102782 /nfs/dbraw/zinc/10/27/82/374102782.db2.gz GPFVFKQRXRJVOF-MRVPVSSYSA-N 0 3 283.336 -2.174 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC000624081443 374104228 /nfs/dbraw/zinc/10/42/28/374104228.db2.gz UYPCXCPRKWGKBE-HQJQHLMTSA-N 0 3 266.305 -1.131 20 0 CAADHN Nc1nc(N)nc(N[C@H](CCO)C2CCOCC2)n1 ZINC000624103479 374104267 /nfs/dbraw/zinc/10/42/67/374104267.db2.gz CVLNVAXRQWLYBU-MRVPVSSYSA-N 0 3 268.321 -1.292 20 0 CAADHN CNC(=O)[C@@H]1CCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624075560 374104326 /nfs/dbraw/zinc/10/43/26/374104326.db2.gz LHPQOBAKCHSGRW-PHDIDXHHSA-N 0 3 251.294 -1.555 20 0 CAADHN CCC[C@@H]1C(=O)NCCN1c1nc(N)nc(N)n1 ZINC000624075473 374104448 /nfs/dbraw/zinc/10/44/48/374104448.db2.gz GBXGVGTYSPDMOD-ZCFIWIBFSA-N 0 3 251.294 -1.198 20 0 CAADHN CCO[C@@H]1COCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624101003 374104540 /nfs/dbraw/zinc/10/45/40/374104540.db2.gz DJXQLYDYIYIQMH-RNFRBKRXSA-N 0 3 254.294 -1.275 20 0 CAADHN CN(C)C(=O)NCCN(C)c1nc(N)nc(N)n1 ZINC000624079481 374104681 /nfs/dbraw/zinc/10/46/81/374104681.db2.gz JPYQXIMXPPRRRM-UHFFFAOYSA-N 0 3 254.298 -1.596 20 0 CAADHN CCO[C@@H]1COCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624101002 374104770 /nfs/dbraw/zinc/10/47/70/374104770.db2.gz DJXQLYDYIYIQMH-NKWVEPMBSA-N 0 3 254.294 -1.275 20 0 CAADHN Nc1nc(N)nc(NCCC2CCS(=O)(=O)CC2)n1 ZINC000624077876 374104865 /nfs/dbraw/zinc/10/48/65/374104865.db2.gz FXGCPLQWCWNAJV-UHFFFAOYSA-N 0 3 286.361 -1.255 20 0 CAADHN Nc1nc(N)nc(N2CCN(C(=O)CO)CC2)n1 ZINC000624067362 374104919 /nfs/dbraw/zinc/10/49/19/374104919.db2.gz SFLGMXFCMQKQOW-UHFFFAOYSA-N 0 3 253.266 -2.662 20 0 CAADHN Nc1nc(N)nc(N[C@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000624081445 374105014 /nfs/dbraw/zinc/10/50/14/374105014.db2.gz UYPCXCPRKWGKBE-WRWORJQWSA-N 0 3 266.305 -1.131 20 0 CAADHN Nc1nc(N)nc(N[C@H](CO)C2CCOCC2)n1 ZINC000624094490 374105039 /nfs/dbraw/zinc/10/50/39/374105039.db2.gz GSXXDJZNAASLRN-SSDOTTSWSA-N 0 3 254.294 -1.682 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2CCO[C@]3(CCOC3)C2)n1 ZINC000624081444 374105158 /nfs/dbraw/zinc/10/51/58/374105158.db2.gz UYPCXCPRKWGKBE-RDDDGLTNSA-N 0 3 266.305 -1.131 20 0 CAADHN CC(C)[C@H]1C(=O)NCCN1c1nc(N)nc(N)n1 ZINC000624070785 374105217 /nfs/dbraw/zinc/10/52/17/374105217.db2.gz PIOOVTCKMVLMFH-LURJTMIESA-N 0 3 251.294 -1.342 20 0 CAADHN CNC(=O)[C@@H]1CCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624075561 374105287 /nfs/dbraw/zinc/10/52/87/374105287.db2.gz LHPQOBAKCHSGRW-RITPCOANSA-N 0 3 251.294 -1.555 20 0 CAADHN Nc1nc(N)nc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1 ZINC000624103282 374105743 /nfs/dbraw/zinc/10/57/43/374105743.db2.gz YDLXQPHYHSLEQQ-SSDOTTSWSA-N 0 3 278.320 -1.263 20 0 CAADHN COCCNC(=O)[C@H](CC(C)C)Nc1nc(N)nc(N)n1 ZINC000624064501 374106039 /nfs/dbraw/zinc/10/60/39/374106039.db2.gz JENFALIOWYDGIG-QMMMGPOBSA-N 0 3 297.363 -1.292 20 0 CAADHN Nc1nc(N)nc(N2CC(CN3CCOCC3)C2)n1 ZINC000624235631 374107145 /nfs/dbraw/zinc/10/71/45/374107145.db2.gz NNVQIYCHTZRNRZ-UHFFFAOYSA-N 0 3 265.321 -1.535 20 0 CAADHN C[C@H](Nc1nc(N)nc(N)n1)C1(S(C)(=O)=O)CC1 ZINC000624213600 374107797 /nfs/dbraw/zinc/10/77/97/374107797.db2.gz QEUBHSRCWGIHHD-YFKPBYRVSA-N 0 3 272.334 -1.504 20 0 CAADHN CO[C@H]1COCC[C@H]1CNc1nc(N)nc(N)n1 ZINC000624250453 374108010 /nfs/dbraw/zinc/10/80/10/374108010.db2.gz SJRPDTKFCZZCSJ-BQBZGAKWSA-N 0 3 254.294 -1.418 20 0 CAADHN CC(C)(C)[C@@H](O)C[C@@H](CO)Nc1nc(N)nc(N)n1 ZINC000624190983 374108230 /nfs/dbraw/zinc/10/82/30/374108230.db2.gz UFBJPSGOXOEFBR-BQBZGAKWSA-N 0 3 270.337 -1.311 20 0 CAADHN Nc1nc(N)nc(N[C@H]2CCCN(CCCO)C2)n1 ZINC000624249109 374108387 /nfs/dbraw/zinc/10/83/87/374108387.db2.gz UKSYQEYRXKWPBE-QMMMGPOBSA-N 0 3 267.337 -1.623 20 0 CAADHN CS(=O)(=O)C1(CNc2nc(N)nc(N)n2)CCCC1 ZINC000624216691 374108500 /nfs/dbraw/zinc/10/85/00/374108500.db2.gz NFDNPCRRIMVTQW-UHFFFAOYSA-N 0 3 286.361 -1.112 20 0 CAADHN Nc1nc(N)nc(NC[C@@H]2CCCN2CCCO)n1 ZINC000624248526 374108860 /nfs/dbraw/zinc/10/88/60/374108860.db2.gz QTFAKDQMVVUNLL-QMMMGPOBSA-N 0 3 267.337 -1.623 20 0 CAADHN Nc1nc(N)nc(NC[C@H](CO)c2cccnc2)n1 ZINC000624224393 374108981 /nfs/dbraw/zinc/10/89/81/374108981.db2.gz UNGCYMBCYVBQLR-MRVPVSSYSA-N 0 3 261.289 -1.298 20 0 CAADHN CN(C)CCn1cc(C(=O)N[C@@H]2CC(=O)N(C)C2=O)cn1 ZINC000632911137 374180598 /nfs/dbraw/zinc/18/05/98/374180598.db2.gz HXWRXIGJOVBMSQ-SNVBAGLBSA-N 0 3 293.327 -1.068 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCN(CCCO)C2)O1 ZINC000627574809 374139429 /nfs/dbraw/zinc/13/94/29/374139429.db2.gz RFYHOPVXEFACNA-GRYCIOLGSA-N 0 3 299.371 -1.018 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(CCCO)C2)O1 ZINC000627574810 374139473 /nfs/dbraw/zinc/13/94/73/374139473.db2.gz RFYHOPVXEFACNA-SDDRHHMPSA-N 0 3 299.371 -1.018 20 0 CAADHN CNC(=O)CCNS(=O)(=O)CCCN(C)C ZINC000631773851 374148395 /nfs/dbraw/zinc/14/83/95/374148395.db2.gz UGJXDQCBIUHQFN-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN CNC(=O)CN(C)S(=O)(=O)CCCN(C)C ZINC000631665841 374148503 /nfs/dbraw/zinc/14/85/03/374148503.db2.gz YSZRHZUNRFYTOT-UHFFFAOYSA-N 0 3 251.352 -1.054 20 0 CAADHN CNC(=O)[C@@H](C)NS(=O)(=O)CCCN(C)C ZINC000631780924 374148647 /nfs/dbraw/zinc/14/86/47/374148647.db2.gz QCTDFRCXKPXSID-MRVPVSSYSA-N 0 3 251.352 -1.008 20 0 CAADHN CNC(=O)NC[C@H]1COCCN1C[C@@H]1CNCCO1 ZINC000631872675 374151333 /nfs/dbraw/zinc/15/13/33/374151333.db2.gz DMAZHAXZBMOZEB-QWRGUYRKSA-N 0 3 272.349 -1.395 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCO[C@H](C(N)=O)C1 ZINC000631850021 374151689 /nfs/dbraw/zinc/15/16/89/374151689.db2.gz BOTQVIGDIHPHIO-VIFPVBQESA-N 0 3 279.362 -1.546 20 0 CAADHN CN1CCN(CCCS(=O)(=O)NC2CNC2)CC1 ZINC000631904705 374152049 /nfs/dbraw/zinc/15/20/49/374152049.db2.gz WATQIMLTUSJYMV-UHFFFAOYSA-N 0 3 276.406 -1.485 20 0 CAADHN CN(C)C1(CS(=O)(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000631907488 374153552 /nfs/dbraw/zinc/15/35/52/374153552.db2.gz LTMNXWPJIIEJNM-NSHDSACASA-N 0 3 290.433 -1.015 20 0 CAADHN CN1CCN(S(=O)(=O)C[C@@H]2CNCCO2)[C@H](CN)C1 ZINC000631907271 374154547 /nfs/dbraw/zinc/15/45/47/374154547.db2.gz HMUOBYCZSVOOLZ-MNOVXSKESA-N 0 3 292.405 -2.121 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C[C@@H]2CNCCO2)[C@@H](C)CN1 ZINC000631930071 374154623 /nfs/dbraw/zinc/15/46/23/374154623.db2.gz WHVWYHBOYNXWTC-VWYCJHECSA-N 0 3 277.390 -1.013 20 0 CAADHN CCN1C[C@@H](S(=O)(=O)N(C)C2CNC2)CC1=O ZINC000631937515 374155730 /nfs/dbraw/zinc/15/57/30/374155730.db2.gz ILLPZIKEPYDYQL-VIFPVBQESA-N 0 3 261.347 -1.159 20 0 CAADHN CN(C1CNC1)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000631938146 374155747 /nfs/dbraw/zinc/15/57/47/374155747.db2.gz WFSXPSPAKOEJAE-SNVBAGLBSA-N 0 3 273.358 -1.017 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1S(=O)(=O)C[C@@H]1CNCCO1 ZINC000631936128 374155986 /nfs/dbraw/zinc/15/59/86/374155986.db2.gz UVACAQYPVAVIEW-AXFHLTTASA-N 0 3 277.390 -1.013 20 0 CAADHN COCCNCCNS(=O)(=O)C[C@@H]1CNCCO1 ZINC000631933995 374156167 /nfs/dbraw/zinc/15/61/67/374156167.db2.gz YIWIVNYFUMICTK-JTQLQIEISA-N 0 3 281.378 -1.870 20 0 CAADHN CN(C1CNC1)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000631938145 374156183 /nfs/dbraw/zinc/15/61/83/374156183.db2.gz WFSXPSPAKOEJAE-JTQLQIEISA-N 0 3 273.358 -1.017 20 0 CAADHN COCCNCCNS(=O)(=O)C[C@H]1CNCCO1 ZINC000631933996 374156213 /nfs/dbraw/zinc/15/62/13/374156213.db2.gz YIWIVNYFUMICTK-SNVBAGLBSA-N 0 3 281.378 -1.870 20 0 CAADHN CN(C1CNC1)S(=O)(=O)CCCN1CCN(C)CC1 ZINC000631938123 374156388 /nfs/dbraw/zinc/15/63/88/374156388.db2.gz VFLYUZPLDIBURS-UHFFFAOYSA-N 0 3 290.433 -1.143 20 0 CAADHN O=S(=O)(C[C@H]1CNCCO1)NC[C@@H]1C[C@H](F)CN1 ZINC000631938872 374156844 /nfs/dbraw/zinc/15/68/44/374156844.db2.gz OEXVRQHCSDTACL-LPEHRKFASA-N 0 3 281.353 -1.406 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@H]1COCCN1 ZINC000631954450 374158081 /nfs/dbraw/zinc/15/80/81/374158081.db2.gz MDYYXULHRVWZIU-JTQLQIEISA-N 0 3 265.379 -1.154 20 0 CAADHN C[NH2+]CCOCC[N-]S(=O)(=O)c1nncn1C ZINC000631954089 374158196 /nfs/dbraw/zinc/15/81/96/374158196.db2.gz AXHZBTYCHXAVGI-UHFFFAOYSA-N 0 3 263.323 -1.671 20 0 CAADHN CS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]2C[C@H]1CN2 ZINC000631970052 374158290 /nfs/dbraw/zinc/15/82/90/374158290.db2.gz QZDYTRZQGYNORP-IUCAKERBSA-N 0 3 282.387 -1.203 20 0 CAADHN CN(C)CCn1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)cn1 ZINC000631994254 374158422 /nfs/dbraw/zinc/15/84/22/374158422.db2.gz IQXTZQIYZIQUIN-SNVBAGLBSA-N 0 3 293.327 -1.020 20 0 CAADHN CC1(C)CN(S(=O)(=O)C[C@@H]2CNCCO2)CCN1 ZINC000631951403 374158663 /nfs/dbraw/zinc/15/86/63/374158663.db2.gz HAIPFQRWIVMNJC-JTQLQIEISA-N 0 3 277.390 -1.012 20 0 CAADHN N[C@@H]1CN(S(=O)(=O)C[C@H]2CNCCO2)CC[C@H]1F ZINC000631952725 374159175 /nfs/dbraw/zinc/15/91/75/374159175.db2.gz RNLDZCYTJBYIDR-OPRDCNLKSA-N 0 3 281.353 -1.324 20 0 CAADHN CN(C)CCCS(=O)(=O)NCCn1ncnn1 ZINC000632101376 374160616 /nfs/dbraw/zinc/16/06/16/374160616.db2.gz UVURPTUUAXBUNC-UHFFFAOYSA-N 0 3 262.339 -1.456 20 0 CAADHN CN(C)CCCS(=O)(=O)N(CCO)CCCO ZINC000632010534 374161891 /nfs/dbraw/zinc/16/18/91/374161891.db2.gz ZFOITNUEFHVCOR-UHFFFAOYSA-N 0 3 268.379 -1.055 20 0 CAADHN CN(C)CCCS(=O)(=O)N(CCO)CCO ZINC000632168274 374163217 /nfs/dbraw/zinc/16/32/17/374163217.db2.gz JUNCKYSGUXZSDC-UHFFFAOYSA-N 0 3 254.352 -1.446 20 0 CAADHN CN(C)CCCS(=O)(=O)NCC(=O)N1CCOCC1 ZINC000632184888 374163994 /nfs/dbraw/zinc/16/39/94/374163994.db2.gz NKVQHUDDNKVPFA-UHFFFAOYSA-N 0 3 293.389 -1.284 20 0 CAADHN CN(C)CCn1cc(C(=O)N(C)C[C@H](O)CO)cn1 ZINC000632258376 374165567 /nfs/dbraw/zinc/16/55/67/374165567.db2.gz JZSDOGNPCCQHGT-NSHDSACASA-N 0 3 270.333 -1.130 20 0 CAADHN COC[C@H](CO)NS(=O)(=O)CCCN(C)C ZINC000632294194 374165993 /nfs/dbraw/zinc/16/59/93/374165993.db2.gz HEIHBVZSKQRROI-VIFPVBQESA-N 0 3 254.352 -1.135 20 0 CAADHN CN(C)CCn1cc(C(=O)N[C@H]2CN(C)NC2=O)cn1 ZINC000632295041 374166136 /nfs/dbraw/zinc/16/61/36/374166136.db2.gz ZZHOSTXTAOYJOR-JTQLQIEISA-N 0 3 280.332 -1.480 20 0 CAADHN COC[C@@H](CO)NS(=O)(=O)CCCN(C)C ZINC000632294193 374166658 /nfs/dbraw/zinc/16/66/58/374166658.db2.gz HEIHBVZSKQRROI-SECBINFHSA-N 0 3 254.352 -1.135 20 0 CAADHN CN(C)CCCS(=O)(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000632350376 374167756 /nfs/dbraw/zinc/16/77/56/374167756.db2.gz JDFQITLNLPNHNU-QWRGUYRKSA-N 0 3 279.406 -1.125 20 0 CAADHN COC[C@@H](C(N)=O)N(C)S(=O)(=O)CCCN(C)C ZINC000632369012 374168252 /nfs/dbraw/zinc/16/82/52/374168252.db2.gz MEOOVZJCBYDKGR-VIFPVBQESA-N 0 3 281.378 -1.300 20 0 CAADHN C[C@@H](O)CN(CCO)S(=O)(=O)CCCN(C)C ZINC000632342116 374168329 /nfs/dbraw/zinc/16/83/29/374168329.db2.gz DMHLJRUOVHCHPG-SNVBAGLBSA-N 0 3 268.379 -1.057 20 0 CAADHN C[C@H](O)CN(CCO)S(=O)(=O)CCCN(C)C ZINC000632342115 374168466 /nfs/dbraw/zinc/16/84/66/374168466.db2.gz DMHLJRUOVHCHPG-JTQLQIEISA-N 0 3 268.379 -1.057 20 0 CAADHN CN(C)CCCS(=O)(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000632439347 374169951 /nfs/dbraw/zinc/16/99/51/374169951.db2.gz VCSWWYLSRCGEAJ-VHSXEESVSA-N 0 3 266.363 -1.447 20 0 CAADHN CN(C)CCCS(=O)(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000632413077 374170006 /nfs/dbraw/zinc/17/00/06/374170006.db2.gz RWOJDHVOKQJFJP-DTORHVGOSA-N 0 3 289.357 -1.528 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCOC[C@@H](O)C1 ZINC000632390385 374170419 /nfs/dbraw/zinc/17/04/19/374170419.db2.gz ADCGYSACMPZUTK-JTQLQIEISA-N 0 3 266.363 -1.039 20 0 CAADHN C[C@H]1CN(S(=O)(=O)CCCN(C)C)C[C@H](C(N)=O)O1 ZINC000632591888 374173463 /nfs/dbraw/zinc/17/34/63/374173463.db2.gz JWAYRRXTYKCZSN-VHSXEESVSA-N 0 3 293.389 -1.158 20 0 CAADHN O=S(=O)(CCCN1CCCC1)N1C[C@H](O)[C@@H](O)C1 ZINC000632592341 374173907 /nfs/dbraw/zinc/17/39/07/374173907.db2.gz SEBMPTPATFGTSO-QWRGUYRKSA-N 0 3 278.374 -1.161 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000632600085 374175665 /nfs/dbraw/zinc/17/56/65/374175665.db2.gz GXCYOKQETANWSP-JTQLQIEISA-N 0 3 293.389 -1.156 20 0 CAADHN CN(C)CCn1cc(C(=O)N2CC(=O)N(C)C(=O)C2)cn1 ZINC000632913263 374179557 /nfs/dbraw/zinc/17/95/57/374179557.db2.gz ZZHOTVKOHSUXKB-UHFFFAOYSA-N 0 3 293.327 -1.115 20 0 CAADHN O=C(Cc1nc[nH]n1)NC[C@H]1CN2CCN1CCC2 ZINC000632891057 374179793 /nfs/dbraw/zinc/17/97/93/374179793.db2.gz WZQYXFCIHNKOPS-JTQLQIEISA-N 0 3 264.333 -1.147 20 0 CAADHN O=C(Cc1nnc[nH]1)NC[C@H]1CN2CCN1CCC2 ZINC000632891057 374179804 /nfs/dbraw/zinc/17/98/04/374179804.db2.gz WZQYXFCIHNKOPS-JTQLQIEISA-N 0 3 264.333 -1.147 20 0 CAADHN CN(C)CCn1cc(C(=O)N[C@@H]2COC[C@@H]2O)cn1 ZINC000633855993 374193034 /nfs/dbraw/zinc/19/30/34/374193034.db2.gz BBUFCYVWAWJCBB-MNOVXSKESA-N 0 3 268.317 -1.066 20 0 CAADHN CN(C)S(=O)(=O)N1CCN(C(=O)C(C)(C)N)CC1 ZINC000040923476 374195607 /nfs/dbraw/zinc/19/56/07/374195607.db2.gz RCLKEINICATYCW-UHFFFAOYSA-N 0 3 278.378 -1.326 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2COCC[C@H]2O)CC1=O ZINC000634462352 374198598 /nfs/dbraw/zinc/19/85/98/374198598.db2.gz LBEXMZCDIWFZJT-IJLUTSLNSA-N 0 3 299.371 -1.338 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@@H]1O ZINC000633151528 374187126 /nfs/dbraw/zinc/18/71/26/374187126.db2.gz RUDDPZDBMFWJDZ-UTLUCORTSA-N 0 3 255.318 -1.354 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1nnc[nH]1 ZINC000633554909 374188980 /nfs/dbraw/zinc/18/89/80/374188980.db2.gz JEAFQSORNGROBS-VIFPVBQESA-N 0 3 280.332 -1.074 20 0 CAADHN COC(=O)[C@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000574551163 335028965 /nfs/dbraw/zinc/02/89/65/335028965.db2.gz BQAKNIPXNRSTFL-QMMMGPOBSA-N 0 3 269.301 -1.514 20 0 CAADHN CN(C(=O)CN1CC(=O)[N-]C1=O)C1(C[NH3+])CCC1 ZINC000576280511 335182365 /nfs/dbraw/zinc/18/23/65/335182365.db2.gz BDKGGTQFWZWRGG-UHFFFAOYSA-N 0 3 254.290 -1.122 20 0 CAADHN NS(=O)(=O)CCN1CCN(C(=O)CNC2CC2)CC1 ZINC000576633968 335228138 /nfs/dbraw/zinc/22/81/38/335228138.db2.gz STOVOACFAHGBKF-UHFFFAOYSA-N 0 3 290.389 -1.829 20 0 CAADHN COCCNCC(=O)NCCCN(C)S(C)(=O)=O ZINC000678299062 545607566 /nfs/dbraw/zinc/60/75/66/545607566.db2.gz YMYJCZWASYVFGX-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN CCCN(C)CC(=O)NCC(=O)N1CCNCC1 ZINC000574689668 335039859 /nfs/dbraw/zinc/03/98/59/335039859.db2.gz VMOQDWLIFFETQN-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)Cc1nnnn1C ZINC000574700444 335040771 /nfs/dbraw/zinc/04/07/71/335040771.db2.gz WOAHNIKNLVSXOG-SNVBAGLBSA-N 0 3 272.353 -1.419 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)Cc1nnnn1C ZINC000574700441 335040836 /nfs/dbraw/zinc/04/08/36/335040836.db2.gz WOAHNIKNLVSXOG-JTQLQIEISA-N 0 3 272.353 -1.419 20 0 CAADHN NS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000188301239 295284840 /nfs/dbraw/zinc/28/48/40/295284840.db2.gz VKEUIRHDAVWXCZ-JGVFFNPUSA-N 0 3 280.325 -1.966 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001193374693 781967706 /nfs/dbraw/zinc/96/77/06/781967706.db2.gz XJMVZJVRAZXTAS-LLVKDONJSA-N 0 3 297.359 -1.111 20 0 CAADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001193327791 781968076 /nfs/dbraw/zinc/96/80/76/781968076.db2.gz PIGKDVRHOIGNTF-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001193422626 781969267 /nfs/dbraw/zinc/96/92/67/781969267.db2.gz UDHGRYNWARUVPP-QJPTWQEYSA-N 0 3 299.371 -1.338 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN([C@H]2COC[C@H]2O)CC1 ZINC000574735106 335043282 /nfs/dbraw/zinc/04/32/82/335043282.db2.gz UFTUVMLLKHGHTP-FRRDWIJNSA-N 0 3 283.372 -1.016 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193488861 781969602 /nfs/dbraw/zinc/96/96/02/781969602.db2.gz PZTFYLIABPTMML-NXEZZACHSA-N 0 3 293.389 -1.553 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)CC)C1 ZINC001193455389 781969789 /nfs/dbraw/zinc/96/97/89/781969789.db2.gz BHCMOMSWCVAFKN-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001193465451 781970199 /nfs/dbraw/zinc/97/01/99/781970199.db2.gz URBHSQOCQSSDOT-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001193481861 781970703 /nfs/dbraw/zinc/97/07/03/781970703.db2.gz HWKVJUVRLCGVNS-GHMZBOCLSA-N 0 3 287.360 -1.339 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001193543967 781972012 /nfs/dbraw/zinc/97/20/12/781972012.db2.gz DSVTXEGCUBKRBE-RKDXNWHRSA-N 0 3 258.322 -1.515 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)COC)C1 ZINC001193504731 781972321 /nfs/dbraw/zinc/97/23/21/781972321.db2.gz ASFBJXVWWKIFTR-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001193569304 781973503 /nfs/dbraw/zinc/97/35/03/781973503.db2.gz ANSJCDMFGMWQGK-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(CCc1cnc[nH]1)N[C@@H]1CN(CCO)C[C@H]1O ZINC001193602164 781974846 /nfs/dbraw/zinc/97/48/46/781974846.db2.gz TWKUWYFXIMNZFG-GHMZBOCLSA-N 0 3 268.317 -1.504 20 0 CAADHN Cn1c2ncn(CCN3CC[C@@H](O)C3)c2c(=O)n(C)c1=O ZINC000305252554 252087298 /nfs/dbraw/zinc/08/72/98/252087298.db2.gz LJCWBABDKZDKGB-SECBINFHSA-N 0 3 293.327 -1.500 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](C)[C@H](O)C2)n1 ZINC000342549235 252125692 /nfs/dbraw/zinc/12/56/92/252125692.db2.gz RVOZFYQSASRVON-VHSXEESVSA-N 0 3 296.375 -1.243 20 0 CAADHN CS(=O)(=O)N1CCC[C@H](CN2C[C@@H](O)[C@H](O)C2)C1 ZINC000300124398 252087576 /nfs/dbraw/zinc/08/75/76/252087576.db2.gz OULHKVOGIYCQRO-GMTAPVOTSA-N 0 3 278.374 -1.305 20 0 CAADHN COC(=O)NCCNC[C@@H](O)CN1CCOCC1 ZINC000308264074 252087614 /nfs/dbraw/zinc/08/76/14/252087614.db2.gz OYHVXLZCOPVEGQ-SNVBAGLBSA-N 0 3 261.322 -1.375 20 0 CAADHN CC[C@@](C)(NC[C@H](O)CN1CCOCC1)C(N)=O ZINC000310827674 252089122 /nfs/dbraw/zinc/08/91/22/252089122.db2.gz FQGHGCZOJXQMRJ-CMPLNLGQSA-N 0 3 259.350 -1.077 20 0 CAADHN CC[C@](C)(NC[C@@H](O)CN1CCOCC1)C(N)=O ZINC000310827684 252089826 /nfs/dbraw/zinc/08/98/26/252089826.db2.gz FQGHGCZOJXQMRJ-PWSUYJOCSA-N 0 3 259.350 -1.077 20 0 CAADHN CN(C[C@H](O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1)C1CC1 ZINC000328634938 252092406 /nfs/dbraw/zinc/09/24/06/252092406.db2.gz BUUCHRYSQQLYGX-NEPJUHHUSA-N 0 3 296.371 -1.916 20 0 CAADHN COC[C@H](C)Nc1nc(NCCO)nc(NC(C)C)n1 ZINC000342546978 252125895 /nfs/dbraw/zinc/12/58/95/252125895.db2.gz PTIQRLDERPICMA-VIFPVBQESA-N 0 3 284.364 -1.191 20 0 CAADHN CN1CC[C@H]2OCCN(C(=O)CN3CCOCC3=O)[C@H]2C1 ZINC000328986726 252094547 /nfs/dbraw/zinc/09/45/47/252094547.db2.gz BYDXAQDZIAYPCT-NWDGAFQWSA-N 0 3 297.355 -1.223 20 0 CAADHN CN(C)CCn1nnnc1SCC(=O)NC(N)=O ZINC000330405720 252094764 /nfs/dbraw/zinc/09/47/64/252094764.db2.gz FEOSMSQRXMIQPQ-UHFFFAOYSA-N 0 3 273.322 -1.064 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN1CCC(C)CC1 ZINC000330457701 252095838 /nfs/dbraw/zinc/09/58/38/252095838.db2.gz OWROJALWPGQJIR-UHFFFAOYSA-N 0 3 292.405 -1.112 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN1CCC[C@@H](C)C1 ZINC000330436703 252096371 /nfs/dbraw/zinc/09/63/71/252096371.db2.gz BCMMNLNAEYYVCB-SNVBAGLBSA-N 0 3 292.405 -1.112 20 0 CAADHN CC(C(=O)N[C@H](CO)CN1CCOCC1)S(C)(=O)=O ZINC000330435247 252096695 /nfs/dbraw/zinc/09/66/95/252096695.db2.gz ATVXGUSPIVNHDT-UWVGGRQHSA-N 0 3 294.373 -1.771 20 0 CAADHN NC(=O)NCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000330518042 252097531 /nfs/dbraw/zinc/09/75/31/252097531.db2.gz GEXULXYDCJILLF-UHFFFAOYSA-N 0 3 297.359 -1.165 20 0 CAADHN CNC(=O)C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000330500673 252098050 /nfs/dbraw/zinc/09/80/50/252098050.db2.gz QKWQMWGVUFYARQ-JTQLQIEISA-N 0 3 257.334 -1.059 20 0 CAADHN CO[C@H]1C[C@@H](CO)N(C[C@H](O)CN2CCOCC2)C1 ZINC000330527323 252098744 /nfs/dbraw/zinc/09/87/44/252098744.db2.gz DQNOQARXARHVTJ-XQQFMLRXSA-N 0 3 274.361 -1.239 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1COCCN1C ZINC000330553048 252100134 /nfs/dbraw/zinc/10/01/34/252100134.db2.gz FSJGZCNZJYRNQF-PWSUYJOCSA-N 0 3 259.350 -1.254 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000330656124 252101151 /nfs/dbraw/zinc/10/11/51/252101151.db2.gz URYTZNWSMXVLPE-JTQLQIEISA-N 0 3 296.327 -1.214 20 0 CAADHN CN(CCCN1C(=O)CNC1=O)[C@@H]1COC[C@H]1O ZINC000330609519 252101437 /nfs/dbraw/zinc/10/14/37/252101437.db2.gz NXXMNYKIRGAUCZ-RKDXNWHRSA-N 0 3 257.290 -1.176 20 0 CAADHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Cn1ncn(C)c1=O ZINC000330641673 252101549 /nfs/dbraw/zinc/10/15/49/252101549.db2.gz QQFCLIGYRABLKF-GHMZBOCLSA-N 0 3 297.359 -1.505 20 0 CAADHN COCCN1CCN(C(=O)C(C)S(C)(=O)=O)CC1=O ZINC000330583558 252101921 /nfs/dbraw/zinc/10/19/21/252101921.db2.gz KOFZDECAKGXDOE-SECBINFHSA-N 0 3 292.357 -1.263 20 0 CAADHN CS[C@@H]1CN(C(=O)[C@@H](CO)NC(N)=O)C[C@@H]1N(C)C ZINC000330648043 252102195 /nfs/dbraw/zinc/10/21/95/252102195.db2.gz HSZBQGKNIYSLHA-HRDYMLBCSA-N 0 3 290.389 -1.066 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC000330655603 252102312 /nfs/dbraw/zinc/10/23/12/252102312.db2.gz UCMXKHWQJDFEIW-SNVBAGLBSA-N 0 3 293.389 -1.285 20 0 CAADHN CN(C)CCNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000342663136 252126262 /nfs/dbraw/zinc/12/62/62/252126262.db2.gz LQGLWJLJRRDQDS-IUCAKERBSA-N 0 3 258.322 -1.120 20 0 CAADHN CN(C)CCN(C)C(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000330679674 252103059 /nfs/dbraw/zinc/10/30/59/252103059.db2.gz LGYLUIYEVHCXLD-UHFFFAOYSA-N 0 3 289.361 -1.450 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)Cn1ncn(C)c1=O ZINC000330713416 252104227 /nfs/dbraw/zinc/10/42/27/252104227.db2.gz BJMCIXFLNUBPCQ-LLVKDONJSA-N 0 3 271.321 -1.989 20 0 CAADHN CN(C)C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CCO1 ZINC000330812879 252108241 /nfs/dbraw/zinc/10/82/41/252108241.db2.gz NPJDARFOBVMLFD-SNVBAGLBSA-N 0 3 296.327 -1.262 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CN1CCN(C)C(=O)C1 ZINC000330865096 252108937 /nfs/dbraw/zinc/10/89/37/252108937.db2.gz BPEQZNBSMFDFJZ-ZDUSSCGKSA-N 0 3 286.376 -1.811 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CN1CCN(C)C(=O)C1 ZINC000330865095 252109468 /nfs/dbraw/zinc/10/94/68/252109468.db2.gz BPEQZNBSMFDFJZ-CYBMUJFWSA-N 0 3 286.376 -1.811 20 0 CAADHN COC(=O)CN1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000330989075 252111807 /nfs/dbraw/zinc/11/18/07/252111807.db2.gz GWBFBNOYQZBFTB-SECBINFHSA-N 0 3 292.357 -1.263 20 0 CAADHN COC(=O)[C@H]1CNC(=O)CN1C(=O)C(C)S(C)(=O)=O ZINC000330990545 252112287 /nfs/dbraw/zinc/11/22/87/252112287.db2.gz SELZKLIFSJUMQL-RNFRBKRXSA-N 0 3 292.313 -2.081 20 0 CAADHN COC(=O)CN1CCN(C(=O)C(C)S(C)(=O)=O)CC1 ZINC000330989078 252112620 /nfs/dbraw/zinc/11/26/20/252112620.db2.gz GWBFBNOYQZBFTB-VIFPVBQESA-N 0 3 292.357 -1.263 20 0 CAADHN COC(=O)CNC(=O)CCN1C[C@H]2OCCN(C)[C@H]2C1 ZINC000331189729 252113255 /nfs/dbraw/zinc/11/32/55/252113255.db2.gz QFDYTEWTYPFEKI-WDEREUQCSA-N 0 3 285.344 -1.320 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000331868177 252119309 /nfs/dbraw/zinc/11/93/09/252119309.db2.gz JORUDUAPUOUPPO-YIZRAAEISA-N 0 3 261.347 -1.269 20 0 CAADHN CS(=O)(=O)N1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000331868173 252119938 /nfs/dbraw/zinc/11/99/38/252119938.db2.gz JORUDUAPUOUPPO-HLTSFMKQSA-N 0 3 261.347 -1.269 20 0 CAADHN C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C ZINC000332504458 252119960 /nfs/dbraw/zinc/11/99/60/252119960.db2.gz VCOMLAVHPDUCNX-GXSJLCMTSA-N 0 3 295.405 -1.305 20 0 CAADHN CN1CCN(CCCNC(=O)CN2CCOCC2=O)CC1 ZINC000332638592 252120659 /nfs/dbraw/zinc/12/06/59/252120659.db2.gz YRSCTFKDTAFNKK-UHFFFAOYSA-N 0 3 298.387 -1.401 20 0 CAADHN COCCN(C)CCCNC(=O)C(=O)N(C)[C@H](C)CO ZINC000340557758 252121574 /nfs/dbraw/zinc/12/15/74/252121574.db2.gz QLXWDAPXFNDJNN-LLVKDONJSA-N 0 3 289.376 -1.090 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NC[C@H](C)N(C)C ZINC000340728299 252121784 /nfs/dbraw/zinc/12/17/84/252121784.db2.gz SGGWOBCZNBNAGC-YUMQZZPRSA-N 0 3 251.352 -1.010 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC[C@H]1COCCO1 ZINC000342671425 252127009 /nfs/dbraw/zinc/12/70/09/252127009.db2.gz RMDWQNWEZYADRP-JTQLQIEISA-N 0 3 273.333 -1.462 20 0 CAADHN CC[C@H](O)CCNc1nc(NCCO)nc(NC(C)C)n1 ZINC000342642962 252127048 /nfs/dbraw/zinc/12/70/48/252127048.db2.gz ZUJRLSAMBFPRGX-JTQLQIEISA-N 0 3 298.391 -1.065 20 0 CAADHN CC[C@H](CCO)Nc1nc(NCCO)nc(NC(C)C)n1 ZINC000342374083 252123369 /nfs/dbraw/zinc/12/33/69/252123369.db2.gz KDKXALHYHYSZBT-SNVBAGLBSA-N 0 3 298.391 -1.065 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2C[C@@H](C)[C@H](O)C2)n1 ZINC000342549229 252124387 /nfs/dbraw/zinc/12/43/87/252124387.db2.gz RVOZFYQSASRVON-NXEZZACHSA-N 0 3 296.375 -1.243 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)CCCO)n1 ZINC000342554484 252124446 /nfs/dbraw/zinc/12/44/46/252124446.db2.gz UFGNQIYAZGFSRF-SNVBAGLBSA-N 0 3 298.391 -1.065 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000342497533 252124583 /nfs/dbraw/zinc/12/45/83/252124583.db2.gz NVZREFVJABXHNL-BXKDBHETSA-N 0 3 296.371 -1.162 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)CCCO)n1 ZINC000342554483 252125145 /nfs/dbraw/zinc/12/51/45/252125145.db2.gz UFGNQIYAZGFSRF-JTQLQIEISA-N 0 3 298.391 -1.065 20 0 CAADHN CC1CCN(C[C@H](O)CNS(N)(=O)=O)CC1 ZINC000067408899 252078276 /nfs/dbraw/zinc/07/82/76/252078276.db2.gz POPSJZNLZHHPQA-SECBINFHSA-N 0 3 251.352 -1.128 20 0 CAADHN O=S(=O)([N-]CCCN1CC[NH2+]CC1)c1c[nH]cn1 ZINC000070415362 252078358 /nfs/dbraw/zinc/07/83/58/252078358.db2.gz AYWFXCWDWUWJJK-UHFFFAOYSA-N 0 3 273.362 -1.017 20 0 CAADHN COC[C@@H]1CN(C(=O)CNC(=O)[C@@H](N)C(C)C)CCO1 ZINC000263249527 252079678 /nfs/dbraw/zinc/07/96/78/252079678.db2.gz OHUXFQBPDYTATQ-JQWIXIFHSA-N 0 3 287.360 -1.040 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000264958965 252081353 /nfs/dbraw/zinc/08/13/53/252081353.db2.gz ZFBCHJWOZSWSCH-MRVPVSSYSA-N 0 3 282.300 -1.383 20 0 CAADHN CN(CCNC(=O)CN1C(=O)C(=O)N(C)C1=O)C1CC1 ZINC000264966488 252081681 /nfs/dbraw/zinc/08/16/81/252081681.db2.gz GFEKBQOHIAUTJB-UHFFFAOYSA-N 0 3 282.300 -1.383 20 0 CAADHN CN(C)CCNC(=O)NCCN1C(=O)CNC1=O ZINC000342658577 252127372 /nfs/dbraw/zinc/12/73/72/252127372.db2.gz IIHXCKPHNSHADD-UHFFFAOYSA-N 0 3 257.294 -1.601 20 0 CAADHN CS(=O)(=O)N1CCC[C@H](CN2C[C@H](O)[C@@H](O)C2)C1 ZINC000300124399 252087110 /nfs/dbraw/zinc/08/71/10/252087110.db2.gz OULHKVOGIYCQRO-VWYCJHECSA-N 0 3 278.374 -1.305 20 0 CAADHN CCN(CCNC(=O)C[C@H](NC(C)=O)C(N)=O)C1CC1 ZINC000353777707 252138961 /nfs/dbraw/zinc/13/89/61/252138961.db2.gz LWFJBYLKVSUCQA-NSHDSACASA-N 0 3 284.360 -1.033 20 0 CAADHN COC[C@@H](CO)NC(=O)NCCOCCN(C)C ZINC000354274016 252139762 /nfs/dbraw/zinc/13/97/62/252139762.db2.gz AFSRJUMDBRHIFU-SNVBAGLBSA-N 0 3 263.338 -1.129 20 0 CAADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCN(C)C ZINC000354451694 252140624 /nfs/dbraw/zinc/14/06/24/252140624.db2.gz VAZUMNNJKJHUKB-SCZZXKLOSA-N 0 3 257.334 -1.060 20 0 CAADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]1COCCN1 ZINC000357169117 252147741 /nfs/dbraw/zinc/14/77/41/252147741.db2.gz CHONZRDDFSLSEC-NEPJUHHUSA-N 0 3 298.387 -1.179 20 0 CAADHN COC[C@@]1(CNC(=O)c2cn(C)c(=O)[n-]c2=O)CCC[NH2+]1 ZINC000357295679 252147888 /nfs/dbraw/zinc/14/78/88/252147888.db2.gz WTZACTRHSWPRDU-ZDUSSCGKSA-N 0 3 296.327 -1.016 20 0 CAADHN NC(=O)[C@H]1CCCN1CCCNC(=O)C[C@H]1COCCN1 ZINC000357169119 252148451 /nfs/dbraw/zinc/14/84/51/252148451.db2.gz CHONZRDDFSLSEC-NWDGAFQWSA-N 0 3 298.387 -1.179 20 0 CAADHN CNC(=O)NC(=O)CN(C)C1CCN(CCO)CC1 ZINC000357645154 252149180 /nfs/dbraw/zinc/14/91/80/252149180.db2.gz FSSRZRJSQYFBBB-UHFFFAOYSA-N 0 3 272.349 -1.170 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](O)C(C)C)n1 ZINC000357523506 252149404 /nfs/dbraw/zinc/14/94/04/252149404.db2.gz AWVOKWFKKJPQSW-SNVBAGLBSA-N 0 3 298.391 -1.209 20 0 CAADHN C[C@H](CN(C)C)NC(=O)C(=O)NCC(=O)N(C)C ZINC000357583447 252149504 /nfs/dbraw/zinc/14/95/04/252149504.db2.gz OVEIBPLBFOVVEZ-MRVPVSSYSA-N 0 3 258.322 -1.743 20 0 CAADHN CN(CC(=O)N1CCNC(=O)C1)C1CCN(CCO)CC1 ZINC000357648266 252150213 /nfs/dbraw/zinc/15/02/13/252150213.db2.gz LHRCXKNCERROGC-UHFFFAOYSA-N 0 3 298.387 -1.667 20 0 CAADHN CN(C)S(=O)(=O)CCCS(=O)(=O)N(C)C1CNC1 ZINC000357481765 252150349 /nfs/dbraw/zinc/15/03/49/252150349.db2.gz JGGAKOUGNAEDRL-UHFFFAOYSA-N 0 3 299.418 -1.499 20 0 CAADHN COC(=O)CCN(C)S(=O)(=O)N(C)C1CNC1 ZINC000357481030 252150511 /nfs/dbraw/zinc/15/05/11/252150511.db2.gz JKRGKRKVQWLAJC-UHFFFAOYSA-N 0 3 265.335 -1.370 20 0 CAADHN COC[C@H](CO)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000357711726 252151114 /nfs/dbraw/zinc/15/11/14/252151114.db2.gz VDWRVSMGCAOOJK-QWRGUYRKSA-N 0 3 287.360 -1.480 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCCNC2=O)CC1=O ZINC000357805504 252152020 /nfs/dbraw/zinc/15/20/20/252152020.db2.gz XVZMUQWRBLZWGI-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCC(N)=O)CC1=O ZINC000357843940 252152178 /nfs/dbraw/zinc/15/21/78/252152178.db2.gz YTWHVZSFYVVKPN-QMMMGPOBSA-N 0 3 256.306 -2.002 20 0 CAADHN CC(C)N1CC[C@H](NC(=O)[C@H]2C[C@@H](O)CN2)C1=O ZINC000357931356 252153111 /nfs/dbraw/zinc/15/31/11/252153111.db2.gz OYBSPUHAKYLJLW-KXUCPTDWSA-N 0 3 255.318 -1.165 20 0 CAADHN CCCCN(C)CCNC(=O)C(=O)N1CCNC(=O)C1 ZINC000357974442 252153373 /nfs/dbraw/zinc/15/33/73/252153373.db2.gz NRVOHKXLIZTKKC-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CCC(=O)N2CCOCC2)C1 ZINC000358068945 252154982 /nfs/dbraw/zinc/15/49/82/252154982.db2.gz RXGDPXAWRGHUAI-CQSZACIVSA-N 0 3 299.371 -1.192 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC000358046959 252155012 /nfs/dbraw/zinc/15/50/12/252155012.db2.gz LBQNFOKSFACBOG-CYBMUJFWSA-N 0 3 280.328 -1.080 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000358041851 252155168 /nfs/dbraw/zinc/15/51/68/252155168.db2.gz GEHVJHPLEXPTJE-ZDUSSCGKSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@H](C(=O)NC[C@]1(O)CCN(C)C1)N1CCOCC1 ZINC000358039566 252155300 /nfs/dbraw/zinc/15/53/00/252155300.db2.gz CPNYPHMIYJRRSV-DGCLKSJQSA-N 0 3 271.361 -1.110 20 0 CAADHN COCCN1C[C@@H](C(=O)NC[C@]2(O)CCN(C)C2)CC1=O ZINC000358082902 252155438 /nfs/dbraw/zinc/15/54/38/252155438.db2.gz VATVDTBZOHFPQN-SMDDNHRTSA-N 0 3 299.371 -1.336 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358050211 252155487 /nfs/dbraw/zinc/15/54/87/252155487.db2.gz PPPZXCFALGDSKF-GFCCVEGCSA-N 0 3 273.333 -1.726 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CN2CCCS2(=O)=O)C1 ZINC000358043292 252155502 /nfs/dbraw/zinc/15/55/02/252155502.db2.gz HKCMLAVGLAWHOZ-LLVKDONJSA-N 0 3 291.373 -1.795 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2nccnc2N)C1 ZINC000358061437 252155585 /nfs/dbraw/zinc/15/55/85/252155585.db2.gz GHNMRSRYNIOPPJ-NSHDSACASA-N 0 3 251.290 -1.145 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000358064060 252155737 /nfs/dbraw/zinc/15/57/37/252155737.db2.gz KBYUODJNLOQOEE-JOYOIKCWSA-N 0 3 255.318 -1.353 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358050212 252155957 /nfs/dbraw/zinc/15/59/57/252155957.db2.gz PPPZXCFALGDSKF-LBPRGKRZSA-N 0 3 273.333 -1.726 20 0 CAADHN CN1CC[C@](O)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC000358064059 252155969 /nfs/dbraw/zinc/15/59/69/252155969.db2.gz KBYUODJNLOQOEE-CABZTGNLSA-N 0 3 255.318 -1.353 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CNC(=O)c2ccccn2)C1 ZINC000358057355 252156145 /nfs/dbraw/zinc/15/61/45/252156145.db2.gz BFHQCEYQLXNMEK-AWEZNQCLSA-N 0 3 292.339 -1.006 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CN2CCOCC2)C1 ZINC000358058880 252156271 /nfs/dbraw/zinc/15/62/71/252156271.db2.gz RJLIBTAMYUHUFE-LBPRGKRZSA-N 0 3 257.334 -1.499 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000358521407 252156326 /nfs/dbraw/zinc/15/63/26/252156326.db2.gz OXHZECRJMGAFRV-IUCAKERBSA-N 0 3 258.322 -1.168 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CNC(=O)c2ccccn2)C1 ZINC000358057358 252156401 /nfs/dbraw/zinc/15/64/01/252156401.db2.gz BFHQCEYQLXNMEK-CQSZACIVSA-N 0 3 292.339 -1.006 20 0 CAADHN CN1CC[C@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC000358060567 252156477 /nfs/dbraw/zinc/15/64/77/252156477.db2.gz FHOFZLBCTYMPLD-PWSUYJOCSA-N 0 3 257.334 -1.500 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358071976 252156488 /nfs/dbraw/zinc/15/64/88/252156488.db2.gz YJXGODMJKRKJTD-NSHDSACASA-N 0 3 293.389 -1.549 20 0 CAADHN CN1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000358064062 252156514 /nfs/dbraw/zinc/15/65/14/252156514.db2.gz KBYUODJNLOQOEE-SKDRFNHKSA-N 0 3 255.318 -1.353 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CNC(=O)c2cccnc2)C1 ZINC000358061489 252156526 /nfs/dbraw/zinc/15/65/26/252156526.db2.gz GOFOPABGFYZPAR-AWEZNQCLSA-N 0 3 292.339 -1.006 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC000358063942 252156552 /nfs/dbraw/zinc/15/65/52/252156552.db2.gz JQTIZOLIIFIUDT-ZDUSSCGKSA-N 0 3 278.312 -1.023 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC000358063941 252156557 /nfs/dbraw/zinc/15/65/57/252156557.db2.gz JQTIZOLIIFIUDT-CYBMUJFWSA-N 0 3 278.312 -1.023 20 0 CAADHN CN1CCN(CC(=O)N2CCCN(C)CC2)CC1=O ZINC000358913528 252157307 /nfs/dbraw/zinc/15/73/07/252157307.db2.gz ZSNOLMBZGCOZNW-UHFFFAOYSA-N 0 3 268.361 -1.076 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)C(C)S(C)(=O)=O ZINC000358892997 252157904 /nfs/dbraw/zinc/15/79/04/252157904.db2.gz BPRUCIKNNWFAGX-SSDOTTSWSA-N 0 3 294.329 -1.704 20 0 CAADHN CN(C)CCN1C(=O)C[C@@H](N2CCC(C(N)=O)CC2)C1=O ZINC000359230567 252158689 /nfs/dbraw/zinc/15/86/89/252158689.db2.gz QUETWYSYUWPFRH-LLVKDONJSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C)CCN1C(=O)C[C@H](N2CCC[C@@H](C(N)=O)C2)C1=O ZINC000359204718 252158907 /nfs/dbraw/zinc/15/89/07/252158907.db2.gz JGXHQRUKQGBFPN-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN CCCN(C)CC(=O)N1CCN(CC(N)=O)CC1 ZINC000359256248 252159120 /nfs/dbraw/zinc/15/91/20/252159120.db2.gz XGBPKGNNJZGFRK-UHFFFAOYSA-N 0 3 256.350 -1.042 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCCN2CCOCC2)C[C@@H]1O ZINC000359418575 252160857 /nfs/dbraw/zinc/16/08/57/252160857.db2.gz VJKCLQIRMRGLJG-RYUDHWBXSA-N 0 3 286.376 -1.365 20 0 CAADHN CN(CCCS(N)(=O)=O)[C@@]1(CO)CCOC1 ZINC000359577385 252162610 /nfs/dbraw/zinc/16/26/10/252162610.db2.gz GNYQAVWDBHSXCQ-SECBINFHSA-N 0 3 252.336 -1.252 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CN1CN=NC1=O ZINC000359794345 252162975 /nfs/dbraw/zinc/16/29/75/252162975.db2.gz LVJLUZMPYCEYSU-SNVBAGLBSA-N 0 3 257.294 -1.588 20 0 CAADHN CCN(CCO)C(=O)C(=O)NCCOCCN(C)C ZINC000360279707 252166338 /nfs/dbraw/zinc/16/63/38/252166338.db2.gz PXQQQSVBOFZQAD-UHFFFAOYSA-N 0 3 275.349 -1.478 20 0 CAADHN COCCN(C)C(=O)C(=O)NCCOCCN(C)C ZINC000360270905 252166369 /nfs/dbraw/zinc/16/63/69/252166369.db2.gz GYABTZAIWSKYPM-UHFFFAOYSA-N 0 3 275.349 -1.214 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N(C)CC(C)(C)O ZINC000360278981 252166444 /nfs/dbraw/zinc/16/64/44/252166444.db2.gz LWLWYMXEGZLMIR-UHFFFAOYSA-N 0 3 289.376 -1.090 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N1CCC[C@@H]1CO ZINC000360271377 252166461 /nfs/dbraw/zinc/16/64/61/252166461.db2.gz IQNOZSCWUFRLLQ-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N(C)CCCO ZINC000360274571 252166472 /nfs/dbraw/zinc/16/64/72/252166472.db2.gz YMILDCQZXTYVDS-UHFFFAOYSA-N 0 3 275.349 -1.478 20 0 CAADHN C[C@H](O)CCN(C)C(=O)C(=O)NCCOCCN(C)C ZINC000360278754 252166539 /nfs/dbraw/zinc/16/65/39/252166539.db2.gz LLGZOQRHPQVBAQ-NSHDSACASA-N 0 3 289.376 -1.090 20 0 CAADHN CCCN(CC)CCNC(=O)C(=O)N1CCNC(=O)C1 ZINC000360171695 252166975 /nfs/dbraw/zinc/16/69/75/252166975.db2.gz PPWJZBMRUJEMPS-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN C[C@@H](CO)N(C)C(=O)C(=O)NCCOCCN(C)C ZINC000360280267 252167123 /nfs/dbraw/zinc/16/71/23/252167123.db2.gz UZPNUJLUDOPCEM-JTQLQIEISA-N 0 3 275.349 -1.480 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N(C)CCO ZINC000360280217 252167279 /nfs/dbraw/zinc/16/72/79/252167279.db2.gz UAYZHFAKVGKQSI-UHFFFAOYSA-N 0 3 261.322 -1.869 20 0 CAADHN CCOC(CNC(=O)CN(C)C)CNC(=O)CN(C)C ZINC000361032484 252170090 /nfs/dbraw/zinc/17/00/90/252170090.db2.gz QCEDLQSLYDCWNT-UHFFFAOYSA-N 0 3 288.392 -1.253 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCC(=O)N(C)C)CC1=O ZINC000342682741 252127614 /nfs/dbraw/zinc/12/76/14/252127614.db2.gz TUDMWDRKQYVVOW-SNVBAGLBSA-N 0 3 284.360 -1.399 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)C[C@H](C)O)n1 ZINC000342830730 252128550 /nfs/dbraw/zinc/12/85/50/252128550.db2.gz KKSNDRKGXRGLRZ-UWVGGRQHSA-N 0 3 298.391 -1.067 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N(C)C2CC(O)C2)n1 ZINC000342846987 252128667 /nfs/dbraw/zinc/12/86/67/252128667.db2.gz FQZMOIIHTOECKV-UHFFFAOYSA-N 0 3 296.375 -1.101 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCOC2)n1 ZINC000342779567 252129324 /nfs/dbraw/zinc/12/93/24/252129324.db2.gz KVFDRWPOHLYUIR-SECBINFHSA-N 0 3 282.348 -1.437 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000343312264 252131107 /nfs/dbraw/zinc/13/11/07/252131107.db2.gz OMTPRGWIWOJKNP-SECBINFHSA-N 0 3 282.344 -1.456 20 0 CAADHN CCN1CCN(C(=O)C(=O)NCCN(C)C2CC2)CC1=O ZINC000343312267 252131426 /nfs/dbraw/zinc/13/14/26/252131426.db2.gz ONYXXEUSYVYFCQ-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(CCNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1)C1CC1 ZINC000343303961 252131695 /nfs/dbraw/zinc/13/16/95/252131695.db2.gz QSSSTXMCPNQZKN-SNVBAGLBSA-N 0 3 296.371 -1.066 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1 ZINC000343274198 252132633 /nfs/dbraw/zinc/13/26/33/252132633.db2.gz KBUHHBYUCGUDMB-NWDGAFQWSA-N 0 3 297.355 -1.223 20 0 CAADHN CCN(C)C(=O)CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000343286550 252132889 /nfs/dbraw/zinc/13/28/89/252132889.db2.gz MMZFYCNRIUPAKR-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN CCN1CCN(CCCNC(=O)Cn2cnnn2)CC1 ZINC000345753297 252134229 /nfs/dbraw/zinc/13/42/29/252134229.db2.gz CYTDEWJYUAUMNU-UHFFFAOYSA-N 0 3 281.364 -1.183 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCCOCCN(C)C ZINC000345965530 252134813 /nfs/dbraw/zinc/13/48/13/252134813.db2.gz SIDQTPYNAFTTCB-SECBINFHSA-N 0 3 281.378 -1.382 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000343325662 252134925 /nfs/dbraw/zinc/13/49/25/252134925.db2.gz YRAOHGQJIQGOIX-WDEREUQCSA-N 0 3 266.345 -1.277 20 0 CAADHN CN1CN(C(=O)[C@@H]2CN3CCN2CCC3)CC1=O ZINC000351967594 252136861 /nfs/dbraw/zinc/13/68/61/252136861.db2.gz MHIXQNUCTSPHKE-JTQLQIEISA-N 0 3 252.318 -1.366 20 0 CAADHN NS(=O)(=O)N1CCN(C(=O)CCOC2CNC2)CC1 ZINC000348994215 252137031 /nfs/dbraw/zinc/13/70/31/252137031.db2.gz RYLSCBZPVLUGTK-UHFFFAOYSA-N 0 3 292.361 -2.287 20 0 CAADHN CCS(=O)(=O)NCCCNC(=O)[C@H](CN)OC ZINC000353174750 252138876 /nfs/dbraw/zinc/13/88/76/252138876.db2.gz FKMVUJTXLFVWDD-QMMMGPOBSA-N 0 3 267.351 -1.594 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000353124038 252138918 /nfs/dbraw/zinc/13/89/18/252138918.db2.gz DJKHTKTYJYYKPE-LURJTMIESA-N 0 3 289.279 -1.020 20 0 CAADHN NC(=O)CN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000362400193 252178688 /nfs/dbraw/zinc/17/86/88/252178688.db2.gz FRVTWTSYGRYYFH-GFCCVEGCSA-N 0 3 295.387 -1.994 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363394621 252180724 /nfs/dbraw/zinc/18/07/24/252180724.db2.gz CYYJLOLAJGTBES-ZJUUUORDSA-N 0 3 296.327 -1.482 20 0 CAADHN CN1CC[C@@]2(CCN(C(=O)c3cn(CC(N)=O)nn3)C2)C1 ZINC000366440900 252182168 /nfs/dbraw/zinc/18/21/68/252182168.db2.gz DCVPGTXACXMLIN-CYBMUJFWSA-N 0 3 292.343 -1.069 20 0 CAADHN CNC(=O)CCN1CCC(NS(=O)(=O)NC)CC1 ZINC000361380373 252173148 /nfs/dbraw/zinc/17/31/48/252173148.db2.gz XRQIFNVFOZOFJV-UHFFFAOYSA-N 0 3 278.378 -1.359 20 0 CAADHN CN1CCN(C(=O)CN2CC[C@@](C)(C(N)=O)C2)CC1 ZINC000361560678 252173539 /nfs/dbraw/zinc/17/35/39/252173539.db2.gz ASWPDPOCKATYFU-CYBMUJFWSA-N 0 3 268.361 -1.042 20 0 CAADHN CNC(=O)C1CN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000368493026 252185500 /nfs/dbraw/zinc/18/55/00/252185500.db2.gz HAXYYXMKLDNIAJ-LLVKDONJSA-N 0 3 266.345 -1.419 20 0 CAADHN COC(=O)C[C@]1(NCCCS(N)(=O)=O)CCOC1 ZINC000362270344 252176373 /nfs/dbraw/zinc/17/63/73/252176373.db2.gz ODKUBYYDHCGLTH-SNVBAGLBSA-N 0 3 280.346 -1.023 20 0 CAADHN COC(=O)N1CC(NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000362116403 252176395 /nfs/dbraw/zinc/17/63/95/252176395.db2.gz CXAOSLSVJWLOFC-NSHDSACASA-N 0 3 282.344 -1.057 20 0 CAADHN CNC(=O)C1CN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000368493030 252185934 /nfs/dbraw/zinc/18/59/34/252185934.db2.gz HAXYYXMKLDNIAJ-NSHDSACASA-N 0 3 266.345 -1.419 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@H]1CNCCO1 ZINC000368836810 252187597 /nfs/dbraw/zinc/18/75/97/252187597.db2.gz ZYIVUGIDTLTXGV-SDDRHHMPSA-N 0 3 269.345 -1.046 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC000370680855 252191257 /nfs/dbraw/zinc/19/12/57/252191257.db2.gz BBMOPCBMISVYAH-SNVBAGLBSA-N 0 3 297.359 -1.580 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000371198804 252192379 /nfs/dbraw/zinc/19/23/79/252192379.db2.gz PGSZNIMSMMUSSE-UTLUCORTSA-N 0 3 296.327 -1.436 20 0 CAADHN CN1CC[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)C1=O ZINC000372328898 252193195 /nfs/dbraw/zinc/19/31/95/252193195.db2.gz ASMMHZKXRDGHHM-GHMZBOCLSA-N 0 3 266.345 -1.277 20 0 CAADHN CN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1=O ZINC000372335058 252194103 /nfs/dbraw/zinc/19/41/03/252194103.db2.gz YXFDUOMYJGBGGE-LLVKDONJSA-N 0 3 266.345 -1.323 20 0 CAADHN O=C(N[C@H]1CCCNC1=O)[C@@H]1CN2CCN1CCC2 ZINC000372344219 252194567 /nfs/dbraw/zinc/19/45/67/252194567.db2.gz BIZYDKXKRPCACS-QWRGUYRKSA-N 0 3 266.345 -1.229 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@H]2CNCCO2)C1 ZINC000372500767 252196013 /nfs/dbraw/zinc/19/60/13/252196013.db2.gz DTBJLSLTMUHLEO-WDEREUQCSA-N 0 3 257.334 -1.188 20 0 CAADHN COC(=O)[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)[C@@H](C)O ZINC000373656495 252198007 /nfs/dbraw/zinc/19/80/07/252198007.db2.gz DVPWZBSEHCVMEF-OUAUKWLOSA-N 0 3 285.344 -1.585 20 0 CAADHN C[C@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCN1CCO ZINC000373545182 252198477 /nfs/dbraw/zinc/19/84/77/252198477.db2.gz KVVWDCTTXOOZJG-UONOGXRCSA-N 0 3 296.415 -1.099 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCN1CCO ZINC000373545181 252198594 /nfs/dbraw/zinc/19/85/94/252198594.db2.gz KVVWDCTTXOOZJG-KGLIPLIRSA-N 0 3 296.415 -1.099 20 0 CAADHN C[C@H](NC(=O)[C@H]1CN2CCN1CCC2)C(=O)N(C)C ZINC000373815357 252198649 /nfs/dbraw/zinc/19/86/49/252198649.db2.gz NPYIPVJABFFLJL-WDEREUQCSA-N 0 3 268.361 -1.031 20 0 CAADHN CN(C)C(=O)NCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000376876865 252203466 /nfs/dbraw/zinc/20/34/66/252203466.db2.gz OQWAPTUMHHBYMM-LLVKDONJSA-N 0 3 283.376 -1.236 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@H]2COCCN2)C1 ZINC000376719540 252203632 /nfs/dbraw/zinc/20/36/32/252203632.db2.gz DKQNZHJPWRRGQS-GHMZBOCLSA-N 0 3 257.334 -1.188 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@@H]2COCCN2)C1 ZINC000376719543 252203912 /nfs/dbraw/zinc/20/39/12/252203912.db2.gz DKQNZHJPWRRGQS-MNOVXSKESA-N 0 3 257.334 -1.188 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@@H]2CNCCO2)C1 ZINC000376719574 252204463 /nfs/dbraw/zinc/20/44/63/252204463.db2.gz DTBJLSLTMUHLEO-QWRGUYRKSA-N 0 3 257.334 -1.188 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1COCCN1C(C)=O ZINC000376881497 252204580 /nfs/dbraw/zinc/20/45/80/252204580.db2.gz DEBDDGOVIRQYBD-GFCCVEGCSA-N 0 3 287.360 -1.336 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@@H]2CNCCO2)C1 ZINC000376719573 252204740 /nfs/dbraw/zinc/20/47/40/252204740.db2.gz DTBJLSLTMUHLEO-MNOVXSKESA-N 0 3 257.334 -1.188 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C(=O)CNCCOC)CCN2C1=O ZINC000378212342 252207521 /nfs/dbraw/zinc/20/75/21/252207521.db2.gz UTAZCQAVNNEAIW-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000378213036 252208181 /nfs/dbraw/zinc/20/81/81/252208181.db2.gz SIOGKZMTZSALRK-SNVBAGLBSA-N 0 3 279.337 -1.208 20 0 CAADHN COCCNCC(=O)NCCN1CCCS1(=O)=O ZINC000405368428 252209959 /nfs/dbraw/zinc/20/99/59/252209959.db2.gz MMJBQKKSJQYZAZ-UHFFFAOYSA-N 0 3 279.362 -1.626 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000407995588 252211522 /nfs/dbraw/zinc/21/15/22/252211522.db2.gz IPCAUIYVIBGFPK-DTWKUNHWSA-N 0 3 290.389 -1.218 20 0 CAADHN CC[C@@H](C(=O)N1CCN(S(N)(=O)=O)CC1)N(C)C ZINC000407990657 252211894 /nfs/dbraw/zinc/21/18/94/252211894.db2.gz PRBFXQQYKLRDMO-VIFPVBQESA-N 0 3 278.378 -1.326 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000407996513 252212034 /nfs/dbraw/zinc/21/20/34/252212034.db2.gz FOIVVNAUGNAXIM-WPRPVWTQSA-N 0 3 290.389 -1.361 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000407995648 252212133 /nfs/dbraw/zinc/21/21/33/252212133.db2.gz JADNIOOPYFNXME-VIFPVBQESA-N 0 3 278.378 -1.407 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000407995590 252212168 /nfs/dbraw/zinc/21/21/68/252212168.db2.gz IPCAUIYVIBGFPK-IUCAKERBSA-N 0 3 290.389 -1.218 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000407996511 252212306 /nfs/dbraw/zinc/21/23/06/252212306.db2.gz FOIVVNAUGNAXIM-WCBMZHEXSA-N 0 3 290.389 -1.361 20 0 CAADHN CN1CCN(C(=O)CCN2CCNC(=O)CC2)CC1 ZINC000374883295 252199670 /nfs/dbraw/zinc/19/96/70/252199670.db2.gz XBRCMUFUBHBPLN-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CO)CC1 ZINC000408137833 252222963 /nfs/dbraw/zinc/22/29/63/252222963.db2.gz HRUNFDSLHZCELP-SNVBAGLBSA-N 0 3 255.318 -1.256 20 0 CAADHN COCCN1CCN(C(=O)COC2CNC2)CC1=O ZINC000423873558 532950049 /nfs/dbraw/zinc/95/00/49/532950049.db2.gz AMLCHNAXMKXEKA-UHFFFAOYSA-N 0 3 271.317 -1.708 20 0 CAADHN O=C(NCCn1ncnn1)[C@@H]1CN2CCN1CCC2 ZINC000408033124 252214594 /nfs/dbraw/zinc/21/45/94/252214594.db2.gz HYMIQWXWSZKHLQ-JTQLQIEISA-N 0 3 265.321 -1.821 20 0 CAADHN CNC(=O)N1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000408033382 252215281 /nfs/dbraw/zinc/21/52/81/252215281.db2.gz LJQVGYBCCUGDSV-LBPRGKRZSA-N 0 3 295.387 -1.140 20 0 CAADHN CN(C)CCNC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000408021465 252215412 /nfs/dbraw/zinc/21/54/12/252215412.db2.gz ICGXGBIZDBWFIH-UHFFFAOYSA-N 0 3 278.378 -1.420 20 0 CAADHN CNC(=O)CN(C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000408027860 252215499 /nfs/dbraw/zinc/21/54/99/252215499.db2.gz MZZXKEVVWKPGSK-JTQLQIEISA-N 0 3 254.334 -1.419 20 0 CAADHN CNC(=O)CN(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000408027862 252215547 /nfs/dbraw/zinc/21/55/47/252215547.db2.gz MZZXKEVVWKPGSK-SNVBAGLBSA-N 0 3 254.334 -1.419 20 0 CAADHN CCNC(=O)C1CN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000408033042 252215691 /nfs/dbraw/zinc/21/56/91/252215691.db2.gz GZRAJFQELNASEX-LBPRGKRZSA-N 0 3 280.372 -1.029 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN2C(=O)NC[C@H]2C1 ZINC000408035707 252216843 /nfs/dbraw/zinc/21/68/43/252216843.db2.gz ZGNFIDOQWZJLGJ-RYUDHWBXSA-N 0 3 293.371 -1.388 20 0 CAADHN OC[C@@H]1C[C@@H](O)CN1C[C@H](O)C[C@]1(O)CCOC1 ZINC001193635078 781975382 /nfs/dbraw/zinc/97/53/82/781975382.db2.gz DNBUOBFSCZQISS-IRCOFANPSA-N 0 3 261.318 -1.684 20 0 CAADHN CN(C)CCN(C)C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000408432369 252240137 /nfs/dbraw/zinc/24/01/37/252240137.db2.gz GBQVZYSXQYKNHE-UHFFFAOYSA-N 0 3 292.405 -1.078 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(C)S(C)(=O)=O ZINC000408440376 252240929 /nfs/dbraw/zinc/24/09/29/252240929.db2.gz BERWKXJADXWRDW-VGMNWLOBSA-N 0 3 293.341 -1.056 20 0 CAADHN CO[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@H]1O ZINC000408464027 252240961 /nfs/dbraw/zinc/24/09/61/252240961.db2.gz HEUHCCVIFWFFNL-QJPTWQEYSA-N 0 3 269.345 -1.406 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CC(=O)N1 ZINC000408467665 252241278 /nfs/dbraw/zinc/24/12/78/252241278.db2.gz OYBRMQHFDHGBGQ-GHMZBOCLSA-N 0 3 266.345 -1.277 20 0 CAADHN CCN1CCC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC000408453577 252241735 /nfs/dbraw/zinc/24/17/35/252241735.db2.gz RTASXZAWXANRDC-VIFPVBQESA-N 0 3 278.378 -1.359 20 0 CAADHN CC(C(=O)N1CCN(C[C@@H](C)O)CC1)S(C)(=O)=O ZINC000408439627 252241807 /nfs/dbraw/zinc/24/18/07/252241807.db2.gz SXGUIMUTWIAFJK-ZJUUUORDSA-N 0 3 278.374 -1.056 20 0 CAADHN CC(C(=O)N1CCN2CCOC[C@H]2C1)S(C)(=O)=O ZINC000408199612 252227285 /nfs/dbraw/zinc/22/72/85/252227285.db2.gz USWRACMVGLPLHH-NXEZZACHSA-N 0 3 276.358 -1.038 20 0 CAADHN O=C(N[C@@H]1CNC(=O)C1)[C@@H]1CN2CCN1CCC2 ZINC000408203479 252228215 /nfs/dbraw/zinc/22/82/15/252228215.db2.gz QPDAFLOFWAOFRN-UWVGGRQHSA-N 0 3 252.318 -1.619 20 0 CAADHN CNC(=O)NC(=O)CCN1CCN2CCOC[C@@H]2C1 ZINC000408205208 252228492 /nfs/dbraw/zinc/22/84/92/252228492.db2.gz PQFQQFPZPRRPEW-JTQLQIEISA-N 0 3 270.333 -1.152 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000410430649 252242562 /nfs/dbraw/zinc/24/25/62/252242562.db2.gz BWOXMYFRZXJNRZ-JTQLQIEISA-N 0 3 296.371 -1.114 20 0 CAADHN CO[C@@H]1C[C@H](NC(=O)C(=O)N(CCN)CCO)C1(C)C ZINC000419187548 532954789 /nfs/dbraw/zinc/95/47/89/532954789.db2.gz IFJLYFSKJZIRAX-VHSXEESVSA-N 0 3 287.360 -1.304 20 0 CAADHN Cn1nnc(CNC(=O)[C@@H]2CN3CCN2CCC3)n1 ZINC000408372130 252235781 /nfs/dbraw/zinc/23/57/81/252235781.db2.gz BBDIGKHEDDOXEV-VIFPVBQESA-N 0 3 265.321 -1.784 20 0 CAADHN C[NH+](C)C[C@](C)(O)C[N-]S(=O)(=O)C1COC1 ZINC000408365134 252236894 /nfs/dbraw/zinc/23/68/94/252236894.db2.gz OXSQDFFVKYTAGE-SECBINFHSA-N 0 3 252.336 -1.383 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CC(=O)Nc3ccncc3)CCN2C1=O ZINC000516315361 252253941 /nfs/dbraw/zinc/25/39/41/252253941.db2.gz LNYFRZHSROIWDB-VXGBXAGGSA-N 0 3 289.339 -1.314 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)CCOC1CNC1 ZINC000516293578 252254180 /nfs/dbraw/zinc/25/41/80/252254180.db2.gz JXUVRLCQAYMCCD-PWSUYJOCSA-N 0 3 286.328 -1.110 20 0 CAADHN N[C@H]1C[C@@H]2CN(CC(=O)Nc3ccncc3)CCN2C1=O ZINC000516315358 252254513 /nfs/dbraw/zinc/25/45/13/252254513.db2.gz LNYFRZHSROIWDB-NEPJUHHUSA-N 0 3 289.339 -1.314 20 0 CAADHN NCCNC(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000515650255 252254599 /nfs/dbraw/zinc/25/45/99/252254599.db2.gz OYNMZEJRIOYFLQ-SECBINFHSA-N 0 3 278.316 -1.436 20 0 CAADHN N[C@@H]1C[C@H]2CN(CC(=O)Nc3ccncc3)CCN2C1=O ZINC000516315359 252254669 /nfs/dbraw/zinc/25/46/69/252254669.db2.gz LNYFRZHSROIWDB-NWDGAFQWSA-N 0 3 289.339 -1.314 20 0 CAADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@]1(O)CCOC1 ZINC000516314169 252254704 /nfs/dbraw/zinc/25/47/04/252254704.db2.gz YRVKUXIPSGQDBP-CHWSQXEVSA-N 0 3 270.329 -1.289 20 0 CAADHN CC(C)CN1CCN(C(=O)C(=O)NC2CNC2)[C@H](C)C1=O ZINC000515621792 252254793 /nfs/dbraw/zinc/25/47/93/252254793.db2.gz AXAZNZQQICGJNK-SNVBAGLBSA-N 0 3 296.371 -1.210 20 0 CAADHN CC(C)NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000516088412 252255042 /nfs/dbraw/zinc/25/50/42/252255042.db2.gz FNPPVZNJMIPDGG-VHSXEESVSA-N 0 3 254.334 -1.245 20 0 CAADHN COCCCN(CCO)C(=O)C(=O)N(C)CCN(C)C ZINC000410900305 252245243 /nfs/dbraw/zinc/24/52/43/252245243.db2.gz RZFIOCOBTQZMPR-UHFFFAOYSA-N 0 3 289.376 -1.136 20 0 CAADHN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)N(C)C ZINC000412396858 252245879 /nfs/dbraw/zinc/24/58/79/252245879.db2.gz XEUVWZBVGFIYNO-JTQLQIEISA-N 0 3 256.350 -1.173 20 0 CAADHN CN(C)C1(CNC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000416305614 252246386 /nfs/dbraw/zinc/24/63/86/252246386.db2.gz BOKGGHFDWLQILI-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCC[C@H]2O)n1 ZINC000413373070 252246724 /nfs/dbraw/zinc/24/67/24/252246724.db2.gz PIPJSSWUWACWQP-NXEZZACHSA-N 0 3 296.375 -1.313 20 0 CAADHN CN1C[C@H](NC(=O)C(=O)N2CCCC[C@@H]2CN)CC1=O ZINC000418807708 252247916 /nfs/dbraw/zinc/24/79/16/252247916.db2.gz QARPVPRLRTWMHA-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1C[C@H](NC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1=O ZINC000418813582 252248009 /nfs/dbraw/zinc/24/80/09/252248009.db2.gz YNZFYYXHUNXPNW-MNOVXSKESA-N 0 3 296.371 -1.033 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2C[C@@](C)(O)C2)n1 ZINC000418997872 252248176 /nfs/dbraw/zinc/24/81/76/252248176.db2.gz PEWNKRXRMJEVJO-SWZMTVOYSA-N 0 3 296.375 -1.313 20 0 CAADHN CO[C@@H]1C[C@H](NC(=O)C(=O)N(CCN)CCO)C12CCC2 ZINC000418980855 252248270 /nfs/dbraw/zinc/24/82/70/252248270.db2.gz FUEMKGQTBPNLGA-WDEREUQCSA-N 0 3 299.371 -1.160 20 0 CAADHN CC1(C)SC[C@H]1NC(=O)C(=O)N(CCN)CCO ZINC000418900891 252248515 /nfs/dbraw/zinc/24/85/15/252248515.db2.gz KROCRKZWVAONIY-MRVPVSSYSA-N 0 3 275.374 -1.224 20 0 CAADHN OC[C@H](NC[C@@H](O)CN1CCOCC1)[C@@H]1CCCO1 ZINC000447918059 252248841 /nfs/dbraw/zinc/24/88/41/252248841.db2.gz RYDVLCFCCRCTDN-AGIUHOORSA-N 0 3 274.361 -1.191 20 0 CAADHN OC[C@H](NC[C@H](O)CN1CCOCC1)[C@H]1CCCO1 ZINC000447918064 252248869 /nfs/dbraw/zinc/24/88/69/252248869.db2.gz RYDVLCFCCRCTDN-RWMBFGLXSA-N 0 3 274.361 -1.191 20 0 CAADHN COC(=O)CNC(=O)CCN[C@@H](CO)[C@@H]1CCCO1 ZINC000447912332 252249079 /nfs/dbraw/zinc/24/90/79/252249079.db2.gz GHMAOWVEXPJCLD-UWVGGRQHSA-N 0 3 274.317 -1.205 20 0 CAADHN OC[C@H](NC[C@H](O)CN1CCOCC1)[C@@H]1CCCO1 ZINC000447918062 252249684 /nfs/dbraw/zinc/24/96/84/252249684.db2.gz RYDVLCFCCRCTDN-AVGNSLFASA-N 0 3 274.361 -1.191 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1C[C@@H]1C(=O)N(C)C)C(=O)NCCN(C)C ZINC000514827329 252250748 /nfs/dbraw/zinc/25/07/48/252250748.db2.gz WIPBRXKHFZDIKS-MXWKQRLJSA-N 0 3 298.387 -1.107 20 0 CAADHN COCCCN(CCOC)C(=O)C(=O)NC1CNC1 ZINC000514824569 252250788 /nfs/dbraw/zinc/25/07/88/252250788.db2.gz VJMTYKFRZXSFGV-UHFFFAOYSA-N 0 3 273.333 -1.414 20 0 CAADHN COCCN1C[C@H](C(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000514789994 252251168 /nfs/dbraw/zinc/25/11/68/252251168.db2.gz XJPOMEFSQKFULU-NEPJUHHUSA-N 0 3 298.387 -1.417 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@]2(O)CCN(C)C2)O1 ZINC000355813553 532956867 /nfs/dbraw/zinc/95/68/67/532956867.db2.gz YQVWGTFZVPQNAS-GBIKHYSHSA-N 0 3 286.328 -1.110 20 0 CAADHN CCCN[C@H](C)C(=O)NCC(=O)N1CCNCC1 ZINC000515059220 252251861 /nfs/dbraw/zinc/25/18/61/252251861.db2.gz PEDMMFBWJWRHEK-SNVBAGLBSA-N 0 3 256.350 -1.078 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)[C@@H](CN)OC ZINC000514864229 252252325 /nfs/dbraw/zinc/25/23/25/252252325.db2.gz WCTQYZXVCIIDDH-SSDOTTSWSA-N 0 3 261.278 -2.163 20 0 CAADHN C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000515500348 252252344 /nfs/dbraw/zinc/25/23/44/252252344.db2.gz LEXDBUJJZQFKTN-CHWFTXMASA-N 0 3 294.355 -1.471 20 0 CAADHN O=C(CC1CCCC1)NCCNC(=O)C(=O)NC1CNC1 ZINC000515524836 252252681 /nfs/dbraw/zinc/25/26/81/252252681.db2.gz UYKADQIEMZXUPI-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@H](CNCCN1CCNC(=O)C1)S(C)(=O)=O ZINC000514933306 252252769 /nfs/dbraw/zinc/25/27/69/252252769.db2.gz SWOLCKQCMSHAPU-SECBINFHSA-N 0 3 263.363 -1.559 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCC[C@@H]1C(N)=O ZINC000514947653 252252963 /nfs/dbraw/zinc/25/29/63/252252963.db2.gz GYXNZWQGOVKWGT-GHMZBOCLSA-N 0 3 259.350 -1.125 20 0 CAADHN CC[C@@H](CNS(C)(=O)=O)NC[C@H](O)COC ZINC000515055406 252253062 /nfs/dbraw/zinc/25/30/62/252253062.db2.gz SRVFGANWFWQTPA-IUCAKERBSA-N 0 3 254.352 -1.089 20 0 CAADHN COCCN1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000194620254 532966117 /nfs/dbraw/zinc/96/61/17/532966117.db2.gz LKLNABFSIOLRTH-CQSZACIVSA-N 0 3 287.404 -1.057 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCN[C@@H](C)C2)C1 ZINC000419734622 532976494 /nfs/dbraw/zinc/97/64/94/532976494.db2.gz VNPRKGQWAXNLPF-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN COCCNC(=O)CNC(=O)C[C@@H]1CSCCN1 ZINC000135355244 533000248 /nfs/dbraw/zinc/00/02/48/533000248.db2.gz WFRHVCPZCWHTFY-SECBINFHSA-N 0 3 275.374 -1.040 20 0 CAADHN C[NH2+][C@H]1CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000261734499 533015255 /nfs/dbraw/zinc/01/52/55/533015255.db2.gz NEWAZXDVLPJUAY-QMMMGPOBSA-N 0 3 254.290 -1.251 20 0 CAADHN COC(=O)[C@@H]1CNC(=O)CN1C(=O)/C=C/CN(C)C ZINC000492668665 533015405 /nfs/dbraw/zinc/01/54/05/533015405.db2.gz CKUYKHAIOWRPLI-MOVJSRMASA-N 0 3 269.301 -1.396 20 0 CAADHN COCCNCC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000431031220 533019182 /nfs/dbraw/zinc/01/91/82/533019182.db2.gz WLDFKUMPOKKROR-GFCCVEGCSA-N 0 3 272.393 -1.026 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000420179035 533019706 /nfs/dbraw/zinc/01/97/06/533019706.db2.gz FIDYFALXGGGOML-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN COCCNCCNC(=O)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000420186775 533020306 /nfs/dbraw/zinc/02/03/06/533020306.db2.gz QMOUILRMUZMTRD-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CCN(C2CC2)CC1 ZINC000420183458 533020383 /nfs/dbraw/zinc/02/03/83/533020383.db2.gz MGLCZXVUCWSSFV-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN COCCNCCNC(=O)CCN1C(=O)CCC1=O ZINC000262066546 533020752 /nfs/dbraw/zinc/02/07/52/533020752.db2.gz BFTWYHFBDWJDPM-UHFFFAOYSA-N 0 3 271.317 -1.122 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000420171818 533020767 /nfs/dbraw/zinc/02/07/67/533020767.db2.gz SMRQNYCCLVDWAQ-GFCCVEGCSA-N 0 3 299.371 -1.024 20 0 CAADHN COC(=O)[C@@H]1COCCN1C(=O)C(C)S(C)(=O)=O ZINC000135521328 533021304 /nfs/dbraw/zinc/02/13/04/533021304.db2.gz AEWOVYKATZGDON-SFYZADRCSA-N 0 3 279.314 -1.180 20 0 CAADHN COCCNCCNS(=O)(=O)c1cnnn1C ZINC000261751934 533026602 /nfs/dbraw/zinc/02/66/02/533026602.db2.gz WOQZZXDZPGVRDW-UHFFFAOYSA-N 0 3 263.323 -1.671 20 0 CAADHN COCCNCCNS(=O)(=O)c1cnn(C)c1 ZINC000179380467 533026667 /nfs/dbraw/zinc/02/66/67/533026667.db2.gz CUKJBIDVZDAFKZ-UHFFFAOYSA-N 0 3 262.335 -1.066 20 0 CAADHN COCCNCCNS(=O)(=O)c1cn(C)cn1 ZINC000216361516 533027664 /nfs/dbraw/zinc/02/76/64/533027664.db2.gz JYCSRXIGCXWZTQ-UHFFFAOYSA-N 0 3 262.335 -1.066 20 0 CAADHN COCCNCC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000431031221 285076482 /nfs/dbraw/zinc/07/64/82/285076482.db2.gz WLDFKUMPOKKROR-LBPRGKRZSA-N 0 3 272.393 -1.026 20 0 CAADHN COc1ccnc(CNC(=O)C(=O)N2CCCNCC2)n1 ZINC000424551964 533042706 /nfs/dbraw/zinc/04/27/06/533042706.db2.gz XFGITWPVSZABLU-UHFFFAOYSA-N 0 3 293.327 -1.077 20 0 CAADHN COCC(=O)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000091301062 533056983 /nfs/dbraw/zinc/05/69/83/533056983.db2.gz AIOVYVPAILIRNT-NSHDSACASA-N 0 3 285.344 -1.318 20 0 CAADHN COCC(=O)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000091301061 533057842 /nfs/dbraw/zinc/05/78/42/533057842.db2.gz AIOVYVPAILIRNT-LLVKDONJSA-N 0 3 285.344 -1.318 20 0 CAADHN CCN1CCC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC000408453576 285229956 /nfs/dbraw/zinc/22/99/56/285229956.db2.gz RTASXZAWXANRDC-SECBINFHSA-N 0 3 278.378 -1.359 20 0 CAADHN CCN1CCC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC000345297305 285230056 /nfs/dbraw/zinc/23/00/56/285230056.db2.gz UDKAVXOVABJBNN-MNOVXSKESA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001193756387 781977681 /nfs/dbraw/zinc/97/76/81/781977681.db2.gz QFUSJANVJAKSRS-NQBHXWOUSA-N 0 3 298.387 -1.766 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001193805383 781978407 /nfs/dbraw/zinc/97/84/07/781978407.db2.gz OBYLIJAMGCCVOI-MVWJERBFSA-N 0 3 298.387 -1.494 20 0 CAADHN CO[C@H](CN)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000574875125 335054088 /nfs/dbraw/zinc/05/40/88/335054088.db2.gz VAJJQISAVKKKHK-VHSXEESVSA-N 0 3 293.389 -1.111 20 0 CAADHN CO[C@@H](CN)C(=O)N1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000574875122 335054230 /nfs/dbraw/zinc/05/42/30/335054230.db2.gz VAJJQISAVKKKHK-UWVGGRQHSA-N 0 3 293.389 -1.111 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001193805384 781978534 /nfs/dbraw/zinc/97/85/34/781978534.db2.gz OBYLIJAMGCCVOI-YUSALJHKSA-N 0 3 298.387 -1.494 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCNC2=O)C1 ZINC001193929628 781979213 /nfs/dbraw/zinc/97/92/13/781979213.db2.gz LCGSANTVGDEKEI-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001193941345 781980601 /nfs/dbraw/zinc/98/06/01/781980601.db2.gz RWRMAQAMYPOSMM-NXEZZACHSA-N 0 3 287.360 -1.304 20 0 CAADHN CN(CC(C)(C)O)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000521424389 262325955 /nfs/dbraw/zinc/32/59/55/262325955.db2.gz XJRUTDMPLNUEIU-JTQLQIEISA-N 0 3 286.376 -1.683 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001193946779 781982227 /nfs/dbraw/zinc/98/22/27/781982227.db2.gz APKWEZMTRIFZJE-HBNTYKKESA-N 0 3 299.371 -1.304 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)N(C)C ZINC001193960920 781982468 /nfs/dbraw/zinc/98/24/68/781982468.db2.gz IRVARVSIIYDOOQ-FOGDFJRCSA-N 0 3 286.376 -1.781 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O)N(C)C ZINC001194085549 781984292 /nfs/dbraw/zinc/98/42/92/781984292.db2.gz CHQDQPNNMKYDDF-GMTAPVOTSA-N 0 3 286.376 -1.766 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](N(C)CCOC)C1 ZINC001194090321 781984622 /nfs/dbraw/zinc/98/46/22/781984622.db2.gz YHPQJBBKGFOSOF-SNVBAGLBSA-N 0 3 293.389 -1.285 20 0 CAADHN CO[C@@H]1CN(C[C@H](O)C2(O)CCOCC2)C[C@H]1O ZINC001194368146 781987066 /nfs/dbraw/zinc/98/70/66/781987066.db2.gz AQKCURCOENLBNC-MXWKQRLJSA-N 0 3 261.318 -1.420 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001194321013 781989025 /nfs/dbraw/zinc/98/90/25/781989025.db2.gz CUEXOBCSHFVDGX-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@@H](NC(=O)[C@H]1COC(=O)N1)C(=O)NCCN(C)C ZINC000496320043 533269549 /nfs/dbraw/zinc/26/95/49/533269549.db2.gz DTMZCUAZUIIHJC-HTQZYQBOSA-N 0 3 272.305 -1.723 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)C(C)S(C)(=O)=O ZINC000353506537 533319003 /nfs/dbraw/zinc/31/90/03/533319003.db2.gz LJKLAZITRCBYFR-SECBINFHSA-N 0 3 294.373 -1.017 20 0 CAADHN COCCN(C)CCCNC(=O)C(=O)N1CCNCC1 ZINC000419677337 533313553 /nfs/dbraw/zinc/31/35/53/533313553.db2.gz MKFCCELQFBZGLY-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN COCCN(C)CCNC(=O)N(C)[C@H]1COC[C@H]1O ZINC000352776427 533314526 /nfs/dbraw/zinc/31/45/26/533314526.db2.gz CICQZNBJNODUNR-WDEREUQCSA-N 0 3 275.349 -1.034 20 0 CAADHN COCCN(C)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC000436365226 533314803 /nfs/dbraw/zinc/31/48/03/533314803.db2.gz UCLQXSBZKPFQMR-UHFFFAOYSA-N 0 3 286.376 -1.545 20 0 CAADHN COCCN(C)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000171130170 533314902 /nfs/dbraw/zinc/31/49/02/533314902.db2.gz GPBPJQIDSSQUTC-UHFFFAOYSA-N 0 3 298.343 -1.759 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](O)CN1CCOCC1 ZINC000130560163 533361483 /nfs/dbraw/zinc/36/14/83/533361483.db2.gz CPZAHNQNFZBYQD-RYUDHWBXSA-N 0 3 262.350 -1.381 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](O)CN1CCOCC1 ZINC000130560388 533361588 /nfs/dbraw/zinc/36/15/88/533361588.db2.gz CPZAHNQNFZBYQD-NEPJUHHUSA-N 0 3 262.350 -1.381 20 0 CAADHN CS(=O)(=O)CC1(CNC(=O)COC2CNC2)CC1 ZINC000430070827 533326251 /nfs/dbraw/zinc/32/62/51/533326251.db2.gz YXUXTKWUNWZSNY-UHFFFAOYSA-N 0 3 276.358 -1.084 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N(C)[C@@H](C)CN)C[C@@H]1OC ZINC000423693994 533443861 /nfs/dbraw/zinc/44/38/61/533443861.db2.gz FIROAWFMWALGCO-LPEHRKFASA-N 0 3 273.333 -1.336 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N(C)CCN)C[C@H]1OC ZINC000423427207 533444606 /nfs/dbraw/zinc/44/46/06/533444606.db2.gz IILSAFCNYFXZPR-RKDXNWHRSA-N 0 3 259.306 -1.724 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CC2)C[C@H]1OC ZINC000420068053 533449366 /nfs/dbraw/zinc/44/93/66/533449366.db2.gz UBKOJYSHOBYJQH-HBNTYKKESA-N 0 3 285.344 -1.288 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)COC2CNC2)CC1 ZINC000429678900 533392333 /nfs/dbraw/zinc/39/23/33/533392333.db2.gz BBOFLLLTDKPEGS-UHFFFAOYSA-N 0 3 277.346 -1.921 20 0 CAADHN CS(=O)(=O)NCCNC(=O)CNC[C@@H]1CCCO1 ZINC000429824428 533397264 /nfs/dbraw/zinc/39/72/64/533397264.db2.gz LBZNWVFYUIKLRN-VIFPVBQESA-N 0 3 279.362 -1.580 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000446272919 533413905 /nfs/dbraw/zinc/41/39/05/533413905.db2.gz VPJWAIRRUXGAAS-DJLDLDEBSA-N 0 3 279.337 -1.164 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)COC2CNC2)C1 ZINC000430387640 533414101 /nfs/dbraw/zinc/41/41/01/533414101.db2.gz VQQCWQWAPDHCDP-MRVPVSSYSA-N 0 3 277.346 -1.875 20 0 CAADHN COC(=O)CNC(=O)CN1CCCN([C@@H](C)CO)CC1 ZINC000346654060 533520150 /nfs/dbraw/zinc/52/01/50/533520150.db2.gz RDJNGWJOSNSRPZ-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)/C=C\CN(C)C ZINC000493488280 533521644 /nfs/dbraw/zinc/52/16/44/533521644.db2.gz NJVZQQGGTVLYKB-PLNGDYQASA-N 0 3 257.290 -1.490 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1C[C@H](O)C[C@@H]1CO ZINC000352033931 533473200 /nfs/dbraw/zinc/47/32/00/533473200.db2.gz XAIIMUYSIRCWSY-NXEZZACHSA-N 0 3 274.317 -1.565 20 0 CAADHN COC(=O)CN(C)C(=O)CCN(CCO)C[C@H](C)O ZINC000351939745 533474218 /nfs/dbraw/zinc/47/42/18/533474218.db2.gz WQPPGHAHVBWRLT-JTQLQIEISA-N 0 3 276.333 -1.317 20 0 CAADHN CO[C@@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1OC ZINC000488526891 533478068 /nfs/dbraw/zinc/47/80/68/533478068.db2.gz GCSSFQUHDGHFEX-GHMZBOCLSA-N 0 3 283.328 -1.070 20 0 CAADHN COC(=O)CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@@H]1N ZINC000424180719 533495733 /nfs/dbraw/zinc/49/57/33/533495733.db2.gz PFMRUEAVBIJVTD-MNOVXSKESA-N 0 3 285.344 -1.333 20 0 CAADHN COC(=O)CNC(=O)CCN(C)CC(C)(CO)CO ZINC000441304966 533515820 /nfs/dbraw/zinc/51/58/20/533515820.db2.gz GWGJZGVZKPUMIM-UHFFFAOYSA-N 0 3 276.333 -1.412 20 0 CAADHN COC(=O)CNC(=O)CCN(C)CCN1CCOCC1 ZINC000358200860 533516032 /nfs/dbraw/zinc/51/60/32/533516032.db2.gz YHTJETIILALAPI-UHFFFAOYSA-N 0 3 287.360 -1.070 20 0 CAADHN COC(=O)CNC(=O)CCN(C)[C@H]1COC[C@H]1O ZINC000352814764 533516187 /nfs/dbraw/zinc/51/61/87/533516187.db2.gz JMYWDECDSLRICB-DTWKUNHWSA-N 0 3 260.290 -1.643 20 0 CAADHN COC(=O)C[C@@H](NC(=O)C[C@@H]1CNCCO1)C(=O)OC ZINC000430247550 533608195 /nfs/dbraw/zinc/60/81/95/533608195.db2.gz ZVFBIGQJFQDDJC-RKDXNWHRSA-N 0 3 288.300 -1.414 20 0 CAADHN COC[C@H](O)CN1CCCN(C(=O)CNC(C)=O)CC1 ZINC001194689749 781994746 /nfs/dbraw/zinc/99/47/46/781994746.db2.gz WXCPSPFEQFYVOJ-GFCCVEGCSA-N 0 3 287.360 -1.336 20 0 CAADHN COC(=O)[C@]1(NC(=O)CCOC2CNC2)CCOC1 ZINC000349004358 291982290 /nfs/dbraw/zinc/98/22/90/291982290.db2.gz RPIOTUJFDUGLAW-LBPRGKRZSA-N 0 3 272.301 -1.187 20 0 CAADHN C[C@H](CNC(=O)C(=O)N1CCNC(=O)C1)N(C)C1CC1 ZINC000342083228 130244905 /nfs/dbraw/zinc/24/49/05/130244905.db2.gz ZFPRHLYDXJSNGI-SECBINFHSA-N 0 3 282.344 -1.456 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N1CCNC(=O)C1)N(C)C1CC1 ZINC000342083230 130245618 /nfs/dbraw/zinc/24/56/18/130245618.db2.gz ZFPRHLYDXJSNGI-VIFPVBQESA-N 0 3 282.344 -1.456 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NCC2(C)COC2)n1 ZINC000342111306 130269343 /nfs/dbraw/zinc/26/93/43/130269343.db2.gz KPWVGKPMKSSRJS-UHFFFAOYSA-N 0 3 296.375 -1.190 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CNC(=O)c2ccccn2)C[C@@H]1O ZINC000575095872 335064505 /nfs/dbraw/zinc/06/45/05/335064505.db2.gz ZMSRGSSAYAJAMN-RYUDHWBXSA-N 0 3 292.339 -1.055 20 0 CAADHN COCCN(C)CCNC(=O)NCCc1nnnn1C ZINC000678503947 545609089 /nfs/dbraw/zinc/60/90/89/545609089.db2.gz OBRUIFBVVBIDJQ-UHFFFAOYSA-N 0 3 285.352 -1.370 20 0 CAADHN COCCN(CCN(C)C)C(=O)NCCc1nnnn1C ZINC000678564409 545610129 /nfs/dbraw/zinc/61/01/29/545610129.db2.gz OJNHQMPNVMESIK-UHFFFAOYSA-N 0 3 299.379 -1.028 20 0 CAADHN COCCN1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000679306373 545610999 /nfs/dbraw/zinc/61/09/99/545610999.db2.gz RWHMKVXGAKTISL-NSHDSACASA-N 0 3 297.359 -1.191 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2CCCN(C)C2)c1=O ZINC000679304398 545610520 /nfs/dbraw/zinc/61/05/20/545610520.db2.gz OPQOTDYQROPJPM-SECBINFHSA-N 0 3 253.306 -1.208 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152156292 781997501 /nfs/dbraw/zinc/99/75/01/781997501.db2.gz OCQHTMYZBFRZPJ-UWVGGRQHSA-N 0 3 294.359 -1.319 20 0 CAADHN COC1CCN(CCNC(=O)Cn2ncn(C)c2=O)CC1 ZINC000679313861 545611202 /nfs/dbraw/zinc/61/12/02/545611202.db2.gz ZTXOUECEIYBRKG-UHFFFAOYSA-N 0 3 297.359 -1.191 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152156556 781998140 /nfs/dbraw/zinc/99/81/40/781998140.db2.gz OCQHTMYZBFRZPJ-ZJUUUORDSA-N 0 3 294.359 -1.319 20 0 CAADHN O=C(CCCCc1cn[nH]n1)N[C@@H]1CN(CCO)C[C@H]1O ZINC001194930433 781998440 /nfs/dbraw/zinc/99/84/40/781998440.db2.gz CKRCEFLIHXUZKE-VXGBXAGGSA-N 0 3 297.359 -1.329 20 0 CAADHN O=C(NCCn1ccnn1)[C@@H]1CN2CCN1CCC2 ZINC000679911307 545612897 /nfs/dbraw/zinc/61/28/97/545612897.db2.gz DGEJXUMPOUBBKM-NSHDSACASA-N 0 3 264.333 -1.216 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCc2cn(C)nn2)CC1=O ZINC000680004662 545612505 /nfs/dbraw/zinc/61/25/05/545612505.db2.gz XKIJJTPOONSJTA-JTQLQIEISA-N 0 3 294.359 -1.159 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001194997158 781998956 /nfs/dbraw/zinc/99/89/56/781998956.db2.gz NFPQXUXZLFHXCE-RKDXNWHRSA-N 0 3 294.377 -2.389 20 0 CAADHN CCN1CCN(CCC(=O)N(C)C[C@H](O)CO)CC1 ZINC000680595846 545614290 /nfs/dbraw/zinc/61/42/90/545614290.db2.gz JAYIRPPYDVITGJ-LBPRGKRZSA-N 0 3 273.377 -1.174 20 0 CAADHN CCN(CCO)CCNC(=O)NCCc1nnnn1C ZINC000681115629 545613844 /nfs/dbraw/zinc/61/38/44/545613844.db2.gz OUDVWWRZRFOERI-UHFFFAOYSA-N 0 3 285.352 -1.634 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CCN(C)C1=O ZINC000681356901 545615599 /nfs/dbraw/zinc/61/55/99/545615599.db2.gz PGBDZFRZTZMAGG-SNVBAGLBSA-N 0 3 257.334 -1.105 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCc2nnnn2C)CC1=O ZINC000681793607 545616761 /nfs/dbraw/zinc/61/67/61/545616761.db2.gz YBZHTEMNLDFLIC-VIFPVBQESA-N 0 3 295.347 -1.764 20 0 CAADHN CN(C)CCOCCNC(=O)NCCS(N)(=O)=O ZINC000682613533 545618286 /nfs/dbraw/zinc/61/82/86/545618286.db2.gz JPFFDOWMRGDGBS-UHFFFAOYSA-N 0 3 282.366 -1.848 20 0 CAADHN CN(C)CCOCCNC(=O)NCCc1nnnn1C ZINC000682613596 545618531 /nfs/dbraw/zinc/61/85/31/545618531.db2.gz LJEOAPLZWVBXHN-UHFFFAOYSA-N 0 3 285.352 -1.370 20 0 CAADHN CN(C)C[C@@]1(O)CCCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC000683910231 545619913 /nfs/dbraw/zinc/61/99/13/545619913.db2.gz RYWAFYYFOOSDNT-ZDUSSCGKSA-N 0 3 297.359 -1.503 20 0 CAADHN C[NH+](C)C[C@@]1(O)CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000683910653 545619972 /nfs/dbraw/zinc/61/99/72/545619972.db2.gz AGVBXNCZXPMIFE-ZDUSSCGKSA-N 0 3 298.343 -1.547 20 0 CAADHN O=C1CCN(C[C@@H](O)CN2CCOCC2)CCN1 ZINC000103231075 545624967 /nfs/dbraw/zinc/62/49/67/545624967.db2.gz LGSUTEKKWWZLMG-LLVKDONJSA-N 0 3 257.334 -1.499 20 0 CAADHN CN(C)C[C@H]1CN(C[C@H](O)CN2CCOCC2)CCO1 ZINC000105904415 289218116 /nfs/dbraw/zinc/21/81/16/289218116.db2.gz OKKGRUOPNBRHHY-KGLIPLIRSA-N 0 3 287.404 -1.058 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCOC1 ZINC000672282963 545592556 /nfs/dbraw/zinc/59/25/56/545592556.db2.gz CWKWWHZSFNGABO-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN COC[C@H](O)CN1CCCN(C(=O)CC(N)=O)CC1 ZINC001195364480 782006656 /nfs/dbraw/zinc/00/66/56/782006656.db2.gz SWPDMBIPNBMWSS-SNVBAGLBSA-N 0 3 273.333 -1.597 20 0 CAADHN CN(C)C1(C)CN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001195530985 782008041 /nfs/dbraw/zinc/00/80/41/782008041.db2.gz LBMXWHCBDIGRSM-UHFFFAOYSA-N 0 3 280.328 -1.140 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC000429723673 286620713 /nfs/dbraw/zinc/62/07/13/286620713.db2.gz VJWSBLOLYICXQL-HTQZYQBOSA-N 0 3 292.361 -1.369 20 0 CAADHN C[C@@H]1CN(C(=O)C2(N)CC2)CCN1S(C)(=O)=O ZINC000353334009 296793938 /nfs/dbraw/zinc/79/39/38/296793938.db2.gz DYGAKTJLQDDFQY-MRVPVSSYSA-N 0 3 261.347 -1.030 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@@H](O)CN1 ZINC000037811676 292442920 /nfs/dbraw/zinc/44/29/20/292442920.db2.gz AYGZMWNAWNQLIY-NXEZZACHSA-N 0 3 273.333 -1.728 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@H](O)CN1 ZINC000037811674 292442975 /nfs/dbraw/zinc/44/29/75/292442975.db2.gz AYGZMWNAWNQLIY-VHSXEESVSA-N 0 3 273.333 -1.728 20 0 CAADHN C[C@@H](N)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186665753 286905939 /nfs/dbraw/zinc/90/59/39/286905939.db2.gz QPZNUWWBYPPFNI-ZJUUUORDSA-N 0 3 254.334 -1.244 20 0 CAADHN COCCN(CCN(C)C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC000340725206 292476057 /nfs/dbraw/zinc/47/60/57/292476057.db2.gz CZMOGSKCYAFTLQ-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)N(C)CCN ZINC000423449716 286974439 /nfs/dbraw/zinc/97/44/39/286974439.db2.gz GRUHPYRTURLYFM-SNVBAGLBSA-N 0 3 284.360 -1.127 20 0 CAADHN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000647012469 409329206 /nfs/dbraw/zinc/32/92/06/409329206.db2.gz UVHYSPNSHIBXEG-VIFPVBQESA-N 0 3 282.344 -1.157 20 0 CAADHN CNS(=O)(=O)[C@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000662254890 409319650 /nfs/dbraw/zinc/31/96/50/409319650.db2.gz MMJDMTFQYOZTBK-QWRGUYRKSA-N 0 3 277.390 -1.012 20 0 CAADHN Cn1ccnc(N2CCN(C[C@H]3CNCCO3)CC2)c1=O ZINC000662263037 409320076 /nfs/dbraw/zinc/32/00/76/409320076.db2.gz KJKUJQBCIXKOLJ-GFCCVEGCSA-N 0 3 293.371 -1.109 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000662256719 409320129 /nfs/dbraw/zinc/32/01/29/409320129.db2.gz YFASFYIMMOIYKR-VHSXEESVSA-N 0 3 263.363 -1.402 20 0 CAADHN CO[C@@](C)(CO)CNC(=O)C(C)S(C)(=O)=O ZINC000655208372 409320299 /nfs/dbraw/zinc/32/02/99/409320299.db2.gz BFQOQGGAILYMGW-VXNVDRBHSA-N 0 3 253.320 -1.067 20 0 CAADHN CCN1C(=O)[C@H]2CN(C[C@H]3CNCCO3)CCN2C1=O ZINC000662259625 409320450 /nfs/dbraw/zinc/32/04/50/409320450.db2.gz ZRMWLZANLXKRRM-GHMZBOCLSA-N 0 3 282.344 -1.057 20 0 CAADHN O=C1CNCCN1[C@@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000662266751 409320523 /nfs/dbraw/zinc/32/05/23/409320523.db2.gz LYCFEJDROHZWLZ-OLZOCXBDSA-N 0 3 282.388 -1.129 20 0 CAADHN CO[C@](C)(CO)CNC(=O)C(C)S(C)(=O)=O ZINC000655208367 409320589 /nfs/dbraw/zinc/32/05/89/409320589.db2.gz BFQOQGGAILYMGW-CBAPKCEASA-N 0 3 253.320 -1.067 20 0 CAADHN CO[C@](C)(CO)CNC(=O)C(C)S(C)(=O)=O ZINC000655208364 409320637 /nfs/dbraw/zinc/32/06/37/409320637.db2.gz BFQOQGGAILYMGW-APPZFPTMSA-N 0 3 253.320 -1.067 20 0 CAADHN O=C1NC[C@H]2CN(C[C@@H]3CCC4(CNC4)O3)CCN2C1=O ZINC000662278759 409321497 /nfs/dbraw/zinc/32/14/97/409321497.db2.gz ABTBQABSGAQHND-QWRGUYRKSA-N 0 3 294.355 -1.850 20 0 CAADHN CO[C@@](C)(CO)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000655214511 409322141 /nfs/dbraw/zinc/32/21/41/409322141.db2.gz BDPBDKSJPCFDFF-DGCLKSJQSA-N 0 3 271.361 -1.110 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000648141032 409322213 /nfs/dbraw/zinc/32/22/13/409322213.db2.gz YCCMHZFTBIETQM-BQBZGAKWSA-N 0 3 253.299 -1.648 20 0 CAADHN O=C1NC[C@@H]2CN(C[C@@H]3CCC4(CNC4)O3)CCN2C1=O ZINC000662278758 409322607 /nfs/dbraw/zinc/32/26/07/409322607.db2.gz ABTBQABSGAQHND-MNOVXSKESA-N 0 3 294.355 -1.850 20 0 CAADHN COCCN1CC[C@@H](NC(=O)N[C@H]2CCNC2=O)C1 ZINC000660705883 409324345 /nfs/dbraw/zinc/32/43/45/409324345.db2.gz XKQCMEHZGAZDDF-ZJUUUORDSA-N 0 3 270.333 -1.105 20 0 CAADHN CC(C)OC[C@H](N)C(=O)N1CCN(C)C[C@@H]1CN ZINC000662429728 409325201 /nfs/dbraw/zinc/32/52/01/409325201.db2.gz SFJUBCCHHMZMGV-QWRGUYRKSA-N 0 3 258.366 -1.160 20 0 CAADHN CC[C@H](NC)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000662527642 409325813 /nfs/dbraw/zinc/32/58/13/409325813.db2.gz XGLMELTUIDGTMU-JTQLQIEISA-N 0 3 277.390 -1.169 20 0 CAADHN CN1C[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@H]2C1 ZINC000646917933 409326241 /nfs/dbraw/zinc/32/62/41/409326241.db2.gz KACJDKDPGRNARG-NEPJUHHUSA-N 0 3 280.372 -1.077 20 0 CAADHN COCCNCCNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000646906121 409326284 /nfs/dbraw/zinc/32/62/84/409326284.db2.gz RPHLQMDTVIMFLD-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN Cn1cnn(CC(=O)N2CC[C@H]3CN(C)C[C@@H]32)c1=O ZINC000646938121 409326576 /nfs/dbraw/zinc/32/65/76/409326576.db2.gz ZFSCUGAHASVMPH-UWVGGRQHSA-N 0 3 265.317 -1.256 20 0 CAADHN CC[C@H](NC)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000662527777 409327246 /nfs/dbraw/zinc/32/72/46/409327246.db2.gz YZRUYUJOLBNGST-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000407999331 409356953 /nfs/dbraw/zinc/35/69/53/409356953.db2.gz VQEZROMSVFNXEC-UWVGGRQHSA-N 0 3 292.405 -1.019 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000647624938 409357209 /nfs/dbraw/zinc/35/72/09/409357209.db2.gz QOWCPMASGKVGEO-LBPRGKRZSA-N 0 3 272.349 -1.170 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCCNCC1 ZINC000647614894 409357329 /nfs/dbraw/zinc/35/73/29/409357329.db2.gz QDRHVDKEAOLNRA-LBPRGKRZSA-N 0 3 296.371 -1.065 20 0 CAADHN CN(C)CCN1CCN(C(=O)Nc2ncn(C)n2)CC1=O ZINC000650229829 409363086 /nfs/dbraw/zinc/36/30/86/409363086.db2.gz OJNNKLOUWFFONR-UHFFFAOYSA-N 0 3 295.347 -0.947 20 0 CAADHN CN1C[C@@H]2CCCN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC000652467255 409400074 /nfs/dbraw/zinc/40/00/74/409400074.db2.gz QPOHYEORLIGANL-VHSXEESVSA-N 0 3 292.343 -1.070 20 0 CAADHN CN(C)S(=O)(=O)N(C)CC(=O)NCCN1CCCC1 ZINC000651027765 409369316 /nfs/dbraw/zinc/36/93/16/409369316.db2.gz SBIGJPAEEZJBTA-UHFFFAOYSA-N 0 3 292.405 -1.063 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC000651027608 409369699 /nfs/dbraw/zinc/36/96/99/409369699.db2.gz NGDJERDTQBRBJO-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN CN1C[C@@H]2CCN(CC(=O)N3CCNC(=O)C3)[C@@H]2C1 ZINC000644731794 409371150 /nfs/dbraw/zinc/37/11/50/409371150.db2.gz SPYAAIXHNPBQIH-WDEREUQCSA-N 0 3 266.345 -1.419 20 0 CAADHN NC(=O)c1ncn(CC(=O)NCCN2CCCCC2)n1 ZINC000651107459 409372237 /nfs/dbraw/zinc/37/22/37/409372237.db2.gz IBKOIWWAMJZLPG-UHFFFAOYSA-N 0 3 280.332 -1.021 20 0 CAADHN C[C@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)N(C)C ZINC000651088572 409372374 /nfs/dbraw/zinc/37/23/74/409372374.db2.gz DBSQYSVEVPEPLV-SECBINFHSA-N 0 3 280.394 -1.209 20 0 CAADHN CN1C[C@H]2CCN(CC(=O)N3CCNC(=O)C3)[C@@H]2C1 ZINC000644731783 409372933 /nfs/dbraw/zinc/37/29/33/409372933.db2.gz SPYAAIXHNPBQIH-GHMZBOCLSA-N 0 3 266.345 -1.419 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655487861 409373272 /nfs/dbraw/zinc/37/32/72/409373272.db2.gz NZLFIIBVKUEHLI-MXWKQRLJSA-N 0 3 286.376 -1.325 20 0 CAADHN CCN(CCO)CCNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000651272729 409375014 /nfs/dbraw/zinc/37/50/14/409375014.db2.gz OGQIUGCTVREWPM-AOOOYVTPSA-N 0 3 272.349 -1.136 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000651272596 409375106 /nfs/dbraw/zinc/37/51/06/409375106.db2.gz KJKKTWFWIKBRPI-SBMIAAHKSA-N 0 3 270.333 -1.384 20 0 CAADHN CNS(=O)(=O)CC(=O)Nc1ccn(CCN(C)C)n1 ZINC000331242905 409375495 /nfs/dbraw/zinc/37/54/95/409375495.db2.gz NXKWSKWUNWUNAO-UHFFFAOYSA-N 0 3 289.361 -1.068 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000651272597 409375576 /nfs/dbraw/zinc/37/55/76/409375576.db2.gz KJKKTWFWIKBRPI-VDDIYKPWSA-N 0 3 270.333 -1.384 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000651272188 409375614 /nfs/dbraw/zinc/37/56/14/409375614.db2.gz XHNRPALPYHPLIF-SBMIAAHKSA-N 0 3 272.349 -1.138 20 0 CAADHN CCN1CC[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000652446975 409400524 /nfs/dbraw/zinc/40/05/24/409400524.db2.gz JDJKPUSEHWQCLI-BDAKNGLRSA-N 0 3 261.347 -1.112 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCC[C@]2(O)CCOC2)C1 ZINC000651283429 409376065 /nfs/dbraw/zinc/37/60/65/409376065.db2.gz LTSFQVJVOFHOFJ-QWHCGFSZSA-N 0 3 287.360 -1.106 20 0 CAADHN CNC(=O)NCC(=O)Nc1ccn(CCN(C)C)n1 ZINC000340581447 409376409 /nfs/dbraw/zinc/37/64/09/409376409.db2.gz PNYMAGZDXBTTNR-UHFFFAOYSA-N 0 3 268.321 -0.688 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCS(=O)(=O)N2)CCN1 ZINC000651433227 409378580 /nfs/dbraw/zinc/37/85/80/409378580.db2.gz QLVGXPKGQRYOGM-MRVPVSSYSA-N 0 3 261.347 -1.112 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000424149611 409378611 /nfs/dbraw/zinc/37/86/11/409378611.db2.gz WVNVRFAJZOEFGJ-WDEREUQCSA-N 0 3 279.344 -0.499 20 0 CAADHN Cn1cnnc1N1CCN(C(=O)CCOC2CNC2)CC1 ZINC000655499310 409378660 /nfs/dbraw/zinc/37/86/60/409378660.db2.gz ZKOYUDNZRFOYBQ-UHFFFAOYSA-N 0 3 294.359 -1.158 20 0 CAADHN CN(C)CCN1CCN(c2nccn3nnnc23)CC1=O ZINC000651383352 409379018 /nfs/dbraw/zinc/37/90/18/409379018.db2.gz VRUNZDZQUKBGBL-UHFFFAOYSA-N 0 3 290.331 -1.271 20 0 CAADHN COCCNCC(=O)N1CCN(c2nncn2C)CC1 ZINC000655498749 409379164 /nfs/dbraw/zinc/37/91/64/409379164.db2.gz UJCZVEDMUGZNDE-UHFFFAOYSA-N 0 3 282.348 -1.300 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000651488755 409381350 /nfs/dbraw/zinc/38/13/50/409381350.db2.gz CQLIJXZMNDHZCT-PSASIEDQSA-N 0 3 292.343 -1.024 20 0 CAADHN C[C@H]1CCN[C@H](C(=O)NCC(=O)N2CCNCC2)C1 ZINC000647689905 409383388 /nfs/dbraw/zinc/38/33/88/409383388.db2.gz OUXKHWFTYLAXTB-QWRGUYRKSA-N 0 3 268.361 -1.078 20 0 CAADHN O=C(CCN(CCO)CCCO)N1CCOCC1 ZINC000109798448 409383565 /nfs/dbraw/zinc/38/35/65/409383565.db2.gz KADFIAQLDRCTAV-UHFFFAOYSA-N 0 3 260.334 -1.088 20 0 CAADHN NC[C@H](NC(=O)CN1CCNCC1=O)C(F)(F)F ZINC000655505314 409383851 /nfs/dbraw/zinc/38/38/51/409383851.db2.gz WGVBDKIEGVBHHQ-LURJTMIESA-N 0 3 268.239 -1.576 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N[C@@H](CN)C(F)(F)F)c1=O ZINC000655508095 409384149 /nfs/dbraw/zinc/38/41/49/409384149.db2.gz BDEHFWHEHYFRKB-LURJTMIESA-N 0 3 294.233 -1.447 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@H](CN)C(F)(F)F ZINC000655508051 409384194 /nfs/dbraw/zinc/38/41/94/409384194.db2.gz ABLWLFZCFPMGKN-CRCLSJGQSA-N 0 3 277.268 -1.070 20 0 CAADHN CN(C)CCN1CCN(S(=O)(=O)N(C)C)CC1=O ZINC000651792822 409389106 /nfs/dbraw/zinc/38/91/06/409389106.db2.gz JBVYPMLXKJOJAX-UHFFFAOYSA-N 0 3 278.378 -1.501 20 0 CAADHN CN(CC(=O)N[C@H](CN)C(F)(F)F)S(C)(=O)=O ZINC000655510005 409389566 /nfs/dbraw/zinc/38/95/66/409389566.db2.gz RVGILAAGNWQSEM-RXMQYKEDSA-N 0 3 277.268 -1.116 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](CO)CN(C)C ZINC000647710542 409390833 /nfs/dbraw/zinc/39/08/33/409390833.db2.gz DXJSQCAANWNETN-JGVFFNPUSA-N 0 3 267.351 -2.037 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](CO)CN(C)C ZINC000647710541 409391095 /nfs/dbraw/zinc/39/10/95/409391095.db2.gz DXJSQCAANWNETN-HTQZYQBOSA-N 0 3 267.351 -2.037 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@H](CO)CN(C)C ZINC000647710544 409392223 /nfs/dbraw/zinc/39/22/23/409392223.db2.gz DXJSQCAANWNETN-YUMQZZPRSA-N 0 3 267.351 -2.037 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cc(C(N)=O)cn1C ZINC000647710896 409392500 /nfs/dbraw/zinc/39/25/00/409392500.db2.gz UAXYPCMZDWHSJI-SECBINFHSA-N 0 3 268.317 -1.224 20 0 CAADHN NC(=O)[C@H]1C[C@@H](NC(=O)NC[C@@H]2CNCCO2)C1 ZINC000652223601 409393135 /nfs/dbraw/zinc/39/31/35/409393135.db2.gz JALYITWJLFBKJX-YIZRAAEISA-N 0 3 256.306 -1.462 20 0 CAADHN Cc1nn(CC(=O)N[C@H](CN)C(F)(F)F)c(=O)n1C ZINC000655517087 409393146 /nfs/dbraw/zinc/39/31/46/409393146.db2.gz DBFYEJYEFQSTGL-ZCFIWIBFSA-N 0 3 281.238 -1.104 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000652323538 409393276 /nfs/dbraw/zinc/39/32/76/409393276.db2.gz JQXXEZHOTKAMEM-GUBZILKMSA-N 0 3 273.358 -1.159 20 0 CAADHN COCCNCCNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000652211923 409393488 /nfs/dbraw/zinc/39/34/88/409393488.db2.gz PMQWNUAWJFDOKV-DTORHVGOSA-N 0 3 258.322 -1.215 20 0 CAADHN NC[C@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C(F)(F)F ZINC000655519246 409394504 /nfs/dbraw/zinc/39/45/04/409394504.db2.gz QTCAHYWYMUHMQS-UHNVWZDZSA-N 0 3 275.252 -1.316 20 0 CAADHN Cc1nn(CC(=O)N[C@@H](CN)C(F)(F)F)c(=O)n1C ZINC000655517086 409394739 /nfs/dbraw/zinc/39/47/39/409394739.db2.gz DBFYEJYEFQSTGL-LURJTMIESA-N 0 3 281.238 -1.104 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC000652323539 409394870 /nfs/dbraw/zinc/39/48/70/409394870.db2.gz JQXXEZHOTKAMEM-IVZWLZJFSA-N 0 3 273.358 -1.159 20 0 CAADHN NC(=O)[C@H]1C[C@@H](NC(=O)NC[C@H]2CNCCO2)C1 ZINC000652223600 409394955 /nfs/dbraw/zinc/39/49/55/409394955.db2.gz JALYITWJLFBKJX-HRDYMLBCSA-N 0 3 256.306 -1.462 20 0 CAADHN CCN(C)C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652429691 409396262 /nfs/dbraw/zinc/39/62/62/409396262.db2.gz LRQDJQKLXPBTGT-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)c1nc(N)nc(N(C)C)n1 ZINC000561302345 409397280 /nfs/dbraw/zinc/39/72/80/409397280.db2.gz XYMRVWWJPPGHCZ-GFCCVEGCSA-N 0 3 297.363 -1.438 20 0 CAADHN CN1CCC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000048752710 409397369 /nfs/dbraw/zinc/39/73/69/409397369.db2.gz OYIUSHCWYFWTMC-JTQLQIEISA-N 0 3 280.328 -1.243 20 0 CAADHN CCN1CC[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000652446978 409398795 /nfs/dbraw/zinc/39/87/95/409398795.db2.gz JDJKPUSEHWQCLI-RKDXNWHRSA-N 0 3 261.347 -1.112 20 0 CAADHN CCN1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000652446976 409398861 /nfs/dbraw/zinc/39/88/61/409398861.db2.gz JDJKPUSEHWQCLI-DTWKUNHWSA-N 0 3 261.347 -1.112 20 0 CAADHN CN1CCN(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655295618 409331969 /nfs/dbraw/zinc/33/19/69/409331969.db2.gz LKCYWBJNVYJYFJ-NWDGAFQWSA-N 0 3 296.371 -1.962 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000662641346 409332002 /nfs/dbraw/zinc/33/20/02/409332002.db2.gz XWQFIIFDIYPIHK-HLTSFMKQSA-N 0 3 264.347 -1.102 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H](C)CN1 ZINC000653128641 409332038 /nfs/dbraw/zinc/33/20/38/409332038.db2.gz PIXONBKYNQWPRY-IWSPIJDZSA-N 0 3 261.347 -1.113 20 0 CAADHN C[C@@H]1NCCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H]1C ZINC000653135911 409332161 /nfs/dbraw/zinc/33/21/61/409332161.db2.gz UUNLIJRDTQOZIQ-CIUDSAMLSA-N 0 3 261.347 -1.113 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655296751 409332381 /nfs/dbraw/zinc/33/23/81/409332381.db2.gz UFYKMVVGEIJJOH-XQQFMLRXSA-N 0 3 283.372 -1.016 20 0 CAADHN CN(C)CCn1ccc(NC(=O)C2(O)CNC2)n1 ZINC000662704846 409332778 /nfs/dbraw/zinc/33/27/78/409332778.db2.gz LJTUBDLZIZANPU-UHFFFAOYSA-N 0 3 253.306 -1.283 20 0 CAADHN CN1CCOC[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294575 409333003 /nfs/dbraw/zinc/33/30/03/409333003.db2.gz BKMMBLUBXHXIIH-TUAOUCFPSA-N 0 3 269.345 -1.406 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294574 409333075 /nfs/dbraw/zinc/33/30/75/409333075.db2.gz BKMMBLUBXHXIIH-QJPTWQEYSA-N 0 3 269.345 -1.406 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655296302 409333177 /nfs/dbraw/zinc/33/31/77/409333177.db2.gz KIUXHQXRCABLSO-QJPTWQEYSA-N 0 3 269.345 -1.406 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000662641349 409333187 /nfs/dbraw/zinc/33/31/87/409333187.db2.gz XWQFIIFDIYPIHK-VGMNWLOBSA-N 0 3 264.347 -1.102 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294956 409333201 /nfs/dbraw/zinc/33/32/01/409333201.db2.gz MOKVKMAJORIPML-DTWKUNHWSA-N 0 3 292.361 -2.682 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CNCC1CC1 ZINC000662637286 409333228 /nfs/dbraw/zinc/33/32/28/409333228.db2.gz DBJUKHMBFSXZJZ-NXEZZACHSA-N 0 3 276.358 -1.086 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000662641351 409333255 /nfs/dbraw/zinc/33/32/55/409333255.db2.gz XWQFIIFDIYPIHK-YIZRAAEISA-N 0 3 264.347 -1.102 20 0 CAADHN C[C@@H](CNC(=O)C1(O)CNC1)CN1CCOCC1 ZINC000662700447 409333308 /nfs/dbraw/zinc/33/33/08/409333308.db2.gz IHIHOCVNZDWIBS-JTQLQIEISA-N 0 3 257.334 -1.595 20 0 CAADHN CN1CC[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1=O ZINC000655296531 409333324 /nfs/dbraw/zinc/33/33/24/409333324.db2.gz ZZPJOBCARBIIPC-AXFHLTTASA-N 0 3 267.329 -1.258 20 0 CAADHN COCC(=O)N(C)CC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655297120 409333414 /nfs/dbraw/zinc/33/34/14/409333414.db2.gz VOLKZWXYVYXETB-WDEREUQCSA-N 0 3 285.344 -1.631 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655295598 409333677 /nfs/dbraw/zinc/33/36/77/409333677.db2.gz KSGOSLLDDKETAI-AXFHLTTASA-N 0 3 267.329 -1.115 20 0 CAADHN CC[C@H](NC)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000662640867 409333698 /nfs/dbraw/zinc/33/36/98/409333698.db2.gz SDWGOTXHRZYWOE-YIZRAAEISA-N 0 3 264.347 -1.087 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](C)CN1 ZINC000653128642 409333956 /nfs/dbraw/zinc/33/39/56/409333956.db2.gz PIXONBKYNQWPRY-VGMNWLOBSA-N 0 3 261.347 -1.113 20 0 CAADHN C[C@@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1C(=O)CCC1=O ZINC000655299452 409335117 /nfs/dbraw/zinc/33/51/17/409335117.db2.gz JKCCQUHDKMGWNL-GARJFASQSA-N 0 3 295.339 -1.199 20 0 CAADHN CN1C[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000655299986 409335781 /nfs/dbraw/zinc/33/57/81/409335781.db2.gz VLKPZENAZSXKNN-GARJFASQSA-N 0 3 267.329 -1.258 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCN(CCN(C)C)C(=O)C2)C1 ZINC000650307951 409337111 /nfs/dbraw/zinc/33/71/11/409337111.db2.gz VWNCTISEGWHWFO-UHFFFAOYSA-N 0 3 296.371 -1.303 20 0 CAADHN Cc1c(C(=O)N2CCN(CCN(C)C)C(=O)C2)nnn1C ZINC000650305273 409337183 /nfs/dbraw/zinc/33/71/83/409337183.db2.gz PECUMTTVZJQHCK-UHFFFAOYSA-N 0 3 294.359 -1.030 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000662953017 409337532 /nfs/dbraw/zinc/33/75/32/409337532.db2.gz JOANJCHSXQCHBZ-NXEZZACHSA-N 0 3 273.333 -1.334 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000662953019 409337643 /nfs/dbraw/zinc/33/76/43/409337643.db2.gz JOANJCHSXQCHBZ-VHSXEESVSA-N 0 3 273.333 -1.334 20 0 CAADHN CN(C)CCN1CCN(C(=O)CN2CCCC2=O)CC1=O ZINC000650301894 409337774 /nfs/dbraw/zinc/33/77/74/409337774.db2.gz KPEIUXLJDJTTOC-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)C[C@@H](CO)O1 ZINC000662943946 409337831 /nfs/dbraw/zinc/33/78/31/409337831.db2.gz FNYNNZSMLXMVJF-OZAVNUTGSA-N 0 3 297.355 -1.456 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2COCCO2)CC1=O ZINC000650303273 409337997 /nfs/dbraw/zinc/33/79/97/409337997.db2.gz UBMFSWCUQDTQEN-NSHDSACASA-N 0 3 285.344 -1.366 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N(C)C[C@H]1COCCO1 ZINC000662953020 409338136 /nfs/dbraw/zinc/33/81/36/409338136.db2.gz JOANJCHSXQCHBZ-ZJUUUORDSA-N 0 3 273.333 -1.334 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1=O ZINC000662964125 409338167 /nfs/dbraw/zinc/33/81/67/409338167.db2.gz YTZTVEADZHZZHF-UHFFFAOYSA-N 0 3 280.328 -1.763 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000662954314 409338229 /nfs/dbraw/zinc/33/82/29/409338229.db2.gz RSAQPFIRVMXCKW-WDEREUQCSA-N 0 3 294.359 -1.068 20 0 CAADHN NC(=O)COCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000648167424 409340986 /nfs/dbraw/zinc/34/09/86/409340986.db2.gz NFAZCVIQIXROCF-ZETCQYMHSA-N 0 3 265.260 -1.151 20 0 CAADHN CC1(OCC(=O)N2CC[C@H](NC(N)=O)C2)CNC1 ZINC000648169186 409341004 /nfs/dbraw/zinc/34/10/04/409341004.db2.gz FJTGLCNNEZQWTO-QMMMGPOBSA-N 0 3 256.306 -1.366 20 0 CAADHN CC1(OCC(=O)N2CC[C@@H](NC(N)=O)C2)CNC1 ZINC000648169185 409341326 /nfs/dbraw/zinc/34/13/26/409341326.db2.gz FJTGLCNNEZQWTO-MRVPVSSYSA-N 0 3 256.306 -1.366 20 0 CAADHN NC1(C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000152203641 409341360 /nfs/dbraw/zinc/34/13/60/409341360.db2.gz SGYPQISASNLLAU-UHFFFAOYSA-N 0 3 294.355 -1.229 20 0 CAADHN O=C(Cn1nc2n(c1=O)CCCC2)NC[C@@H]1CNCCO1 ZINC000653163403 409341633 /nfs/dbraw/zinc/34/16/33/409341633.db2.gz XNQCEYWLRRXLIN-JTQLQIEISA-N 0 3 295.343 -1.514 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](NC(=O)CCOC2CNC2)C1 ZINC000653203642 409341716 /nfs/dbraw/zinc/34/17/16/409341716.db2.gz VMCQYWURPQXRFM-SECBINFHSA-N 0 3 291.373 -1.485 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000410430650 409342213 /nfs/dbraw/zinc/34/22/13/409342213.db2.gz BWOXMYFRZXJNRZ-SNVBAGLBSA-N 0 3 296.371 -1.114 20 0 CAADHN CS(=O)(=O)N1CC[C@H](NC(=O)CCOC2CNC2)C1 ZINC000653203643 409342563 /nfs/dbraw/zinc/34/25/63/409342563.db2.gz VMCQYWURPQXRFM-VIFPVBQESA-N 0 3 291.373 -1.485 20 0 CAADHN CN(C)C[C@H]1CN(C(=O)Cn2cn[nH]c2=O)CCO1 ZINC000153704839 409343395 /nfs/dbraw/zinc/34/33/95/409343395.db2.gz ARAXSPGCCSITBE-VIFPVBQESA-N 0 3 269.305 -1.640 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC000153466059 409343502 /nfs/dbraw/zinc/34/35/02/409343502.db2.gz IISQYPRLRPSEIU-JQWIXIFHSA-N 0 3 259.350 -1.254 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CN1CCNCC1 ZINC000037826762 409343750 /nfs/dbraw/zinc/34/37/50/409343750.db2.gz GSUSRZUEDUXVQR-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000237449700 409344421 /nfs/dbraw/zinc/34/44/21/409344421.db2.gz RZPTWMTYYRTBOI-SECBINFHSA-N 0 3 254.334 -1.244 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CN(C)CCO1 ZINC000153466284 409344821 /nfs/dbraw/zinc/34/48/21/409344821.db2.gz IISQYPRLRPSEIU-PWSUYJOCSA-N 0 3 259.350 -1.254 20 0 CAADHN CC[C@@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000037808973 409345252 /nfs/dbraw/zinc/34/52/52/409345252.db2.gz GCEDXIJMFKHXBQ-SECBINFHSA-N 0 3 278.378 -1.326 20 0 CAADHN CN(C)C1(CNC(=O)[C@H]2CCS(=O)(=O)N2)CC1 ZINC000652458688 409399479 /nfs/dbraw/zinc/39/94/79/409399479.db2.gz TVXDEXBHLSYYIA-MRVPVSSYSA-N 0 3 261.347 -1.112 20 0 CAADHN COC[C@@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)OC ZINC000664630720 409349127 /nfs/dbraw/zinc/34/91/27/409349127.db2.gz UOTHJLRWHHQBDM-VWYCJHECSA-N 0 3 275.349 -1.036 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000644161572 409349486 /nfs/dbraw/zinc/34/94/86/409349486.db2.gz XMQWVFBPIQQQCR-VHSXEESVSA-N 0 3 291.373 -1.485 20 0 CAADHN O=C(CN1CCNCC1)NCCN1CCCS1(=O)=O ZINC000405410492 409349506 /nfs/dbraw/zinc/34/95/06/409349506.db2.gz TZFOWAMDTBUOPY-UHFFFAOYSA-N 0 3 290.389 -1.957 20 0 CAADHN CN(C)C1(CNC(=O)[C@@H]2CCS(=O)(=O)N2)CC1 ZINC000652458689 409399496 /nfs/dbraw/zinc/39/94/96/409399496.db2.gz TVXDEXBHLSYYIA-QMMMGPOBSA-N 0 3 261.347 -1.112 20 0 CAADHN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000636256240 409350003 /nfs/dbraw/zinc/35/00/03/409350003.db2.gz RRESRRHEQZYRTL-CHWFTXMASA-N 0 3 283.328 -1.703 20 0 CAADHN CS(=O)(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CNCCO1 ZINC000644161571 409350158 /nfs/dbraw/zinc/35/01/58/409350158.db2.gz XMQWVFBPIQQQCR-UWVGGRQHSA-N 0 3 291.373 -1.485 20 0 CAADHN O=C(CNC(=O)[C@H]1CNCCC1(F)F)N1CCNCC1 ZINC000644098083 409350202 /nfs/dbraw/zinc/35/02/02/409350202.db2.gz QSVRHTRVWBMZPL-SECBINFHSA-N 0 3 290.314 -1.221 20 0 CAADHN O=C(CNC(=O)[C@@H]1CNCCC1(F)F)N1CCNCC1 ZINC000644098084 409350323 /nfs/dbraw/zinc/35/03/23/409350323.db2.gz QSVRHTRVWBMZPL-VIFPVBQESA-N 0 3 290.314 -1.221 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)c(=O)[nH]c1=O ZINC000644141096 409350353 /nfs/dbraw/zinc/35/03/53/409350353.db2.gz DNFWANRZURCCFU-BQBZGAKWSA-N 0 3 270.264 -1.084 20 0 CAADHN Cc1nn(CC(=O)NC[C@@H]2C[C@H](F)CN2)c(=O)n1C ZINC000655463303 409351666 /nfs/dbraw/zinc/35/16/66/409351666.db2.gz JQGXNMDEJBSDLI-IUCAKERBSA-N 0 3 271.296 -1.294 20 0 CAADHN CN(Cc1ccccc1)C[C@H](O)CNC[C@@H](O)C(N)=O ZINC000647535386 409351827 /nfs/dbraw/zinc/35/18/27/409351827.db2.gz FYGXYWGWLLSOBH-CHWSQXEVSA-N 0 3 281.356 -1.085 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCc2nnn(C)n2)C[C@@H]1O ZINC000664776752 409351935 /nfs/dbraw/zinc/35/19/35/409351935.db2.gz YZDLDVNWUZVNTC-YUMQZZPRSA-N 0 3 269.309 -1.974 20 0 CAADHN COCCOCCN1C(=O)C[C@@H](NC[C@H](C)O)C1=O ZINC000653282927 409352095 /nfs/dbraw/zinc/35/20/95/409352095.db2.gz OKFBHFAITAQLKO-VHSXEESVSA-N 0 3 274.317 -1.253 20 0 CAADHN C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000647571348 409352386 /nfs/dbraw/zinc/35/23/86/409352386.db2.gz JVPFNGQJAANZLE-OUAUKWLOSA-N 0 3 294.355 -1.205 20 0 CAADHN CN(Cc1ccccc1)C[C@H](O)CN[C@@H](CO)C(N)=O ZINC000647522913 409352715 /nfs/dbraw/zinc/35/27/15/409352715.db2.gz WHTMNJVPOBGYGC-OLZOCXBDSA-N 0 3 281.356 -1.085 20 0 CAADHN CN(Cc1ccccc1)C[C@H](O)CNC[C@H](O)C(N)=O ZINC000647535387 409352840 /nfs/dbraw/zinc/35/28/40/409352840.db2.gz FYGXYWGWLLSOBH-OLZOCXBDSA-N 0 3 281.356 -1.085 20 0 CAADHN C[C@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664816721 409353017 /nfs/dbraw/zinc/35/30/17/409353017.db2.gz DSCZRFGMNQADGC-ZNSHCXBVSA-N 0 3 284.360 -1.030 20 0 CAADHN COCCOCCN1C(=O)C[C@H](NC[C@H](C)O)C1=O ZINC000653282926 409353358 /nfs/dbraw/zinc/35/33/58/409353358.db2.gz OKFBHFAITAQLKO-UWVGGRQHSA-N 0 3 274.317 -1.253 20 0 CAADHN C[C@@H]1NC(=O)CC[C@H]1NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664816720 409353551 /nfs/dbraw/zinc/35/35/51/409353551.db2.gz DSCZRFGMNQADGC-VLEAKVRGSA-N 0 3 284.360 -1.030 20 0 CAADHN COCCOCCN1C(=O)C[C@H](N[C@@H](C)CO)C1=O ZINC000653285694 409354828 /nfs/dbraw/zinc/35/48/28/409354828.db2.gz VXYKWAZFEIKTNE-UWVGGRQHSA-N 0 3 274.317 -1.253 20 0 CAADHN CCNC(=O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000367167821 409458636 /nfs/dbraw/zinc/45/86/36/409458636.db2.gz JEPBACRJHJOUTQ-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN CC1(OCC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)CNC1 ZINC000648102352 409458730 /nfs/dbraw/zinc/45/87/30/409458730.db2.gz RFESNTGTCZXGNY-BDAKNGLRSA-N 0 3 271.317 -1.486 20 0 CAADHN CC1(OCC(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)CNC1 ZINC000648102353 409458915 /nfs/dbraw/zinc/45/89/15/409458915.db2.gz RFESNTGTCZXGNY-DTWKUNHWSA-N 0 3 271.317 -1.486 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354651637 409462064 /nfs/dbraw/zinc/46/20/64/409462064.db2.gz COQCQBROGSHQNE-JTQLQIEISA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C[C@@H](O)CN1CC[C@@H](S(N)(=O)=O)C1)C1CC1 ZINC000336791404 409402730 /nfs/dbraw/zinc/40/27/30/409402730.db2.gz NJMHEAWFVLVLBI-GHMZBOCLSA-N 0 3 277.390 -1.196 20 0 CAADHN O=C(CN[C@@H]1C[C@H](O)C12CCC2)N1CCNC(=O)C1 ZINC000661836353 409402761 /nfs/dbraw/zinc/40/27/61/409402761.db2.gz FBGQWCHRNIFESC-ZJUUUORDSA-N 0 3 267.329 -1.162 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1O ZINC000647760059 409402771 /nfs/dbraw/zinc/40/27/71/409402771.db2.gz VNZBUCBOXHELIY-QWRGUYRKSA-N 0 3 257.334 -1.548 20 0 CAADHN CC(C)[C@@H](N)C(=O)NCC(=O)NCCC(=O)N(C)C ZINC000336804805 409402871 /nfs/dbraw/zinc/40/28/71/409402871.db2.gz LKKRAGDKXYPJDD-LLVKDONJSA-N 0 3 272.349 -1.320 20 0 CAADHN CC(C)[C@@H](N)C(=O)NCC(=O)N(C)CC(=O)N(C)C ZINC000336804433 409403361 /nfs/dbraw/zinc/40/33/61/409403361.db2.gz BWGAGMQWSNGTMI-LLVKDONJSA-N 0 3 272.349 -1.368 20 0 CAADHN COCCNCCNS(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000354128669 409460160 /nfs/dbraw/zinc/46/01/60/409460160.db2.gz WOWCZSDWWZLECF-VIFPVBQESA-N 0 3 281.378 -1.382 20 0 CAADHN CCN1C[C@@H](CNC(=O)C(=O)NC2CNC2)CC1=O ZINC000652697480 409408161 /nfs/dbraw/zinc/40/81/61/409408161.db2.gz GBKQKKYHKAHHND-MRVPVSSYSA-N 0 3 268.317 -1.941 20 0 CAADHN C[C@@H](CO)C1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000652697694 409408542 /nfs/dbraw/zinc/40/85/42/409408542.db2.gz KZUPIFCNENJTTF-VIFPVBQESA-N 0 3 269.345 -1.059 20 0 CAADHN CCN1C[C@H](CNC(=O)C(=O)NC2CNC2)CC1=O ZINC000652697481 409408580 /nfs/dbraw/zinc/40/85/80/409408580.db2.gz GBKQKKYHKAHHND-QMMMGPOBSA-N 0 3 268.317 -1.941 20 0 CAADHN C[C@H](O)CCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000644927566 409409015 /nfs/dbraw/zinc/40/90/15/409409015.db2.gz JQTJRCDXTLANML-SDDRHHMPSA-N 0 3 292.401 -1.155 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)[C@@H]1CNCCO1 ZINC000645134997 409409145 /nfs/dbraw/zinc/40/91/45/409409145.db2.gz WMBUUABRPKTYCJ-JTQLQIEISA-N 0 3 270.333 -2.135 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CCCO2)n1 ZINC000339975219 409410069 /nfs/dbraw/zinc/41/00/69/409410069.db2.gz FODLZDNCMASSMA-JTQLQIEISA-N 0 3 296.375 -1.047 20 0 CAADHN CCN1C[C@H](CNC(=O)C(=O)N(C)[C@H](C)CN)CC1=O ZINC000652716159 409410977 /nfs/dbraw/zinc/41/09/77/409410977.db2.gz SXLBNSCACJIHRZ-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)CNC1CC1 ZINC000182821637 409412122 /nfs/dbraw/zinc/41/21/22/409412122.db2.gz PRZWIMCIPWQVGA-GFCCVEGCSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1cnnn1 ZINC000647821401 409412197 /nfs/dbraw/zinc/41/21/97/409412197.db2.gz GXXAYRNAYXKOQE-MNOVXSKESA-N 0 3 280.332 -1.005 20 0 CAADHN CCN1C[C@H](CNC(=O)C(=O)N2CCCNCC2)CC1=O ZINC000652716222 409412286 /nfs/dbraw/zinc/41/22/86/409412286.db2.gz UYEICXBMDIVJSH-NSHDSACASA-N 0 3 296.371 -1.207 20 0 CAADHN CCN1C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)CC1=O ZINC000652716158 409412385 /nfs/dbraw/zinc/41/23/85/409412385.db2.gz SXLBNSCACJIHRZ-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(CC(=O)N1CCN(C)C[C@H]1CN)C(=O)C1CC1 ZINC000647872612 409413752 /nfs/dbraw/zinc/41/37/52/409413752.db2.gz HMPBQEUAHBSHNW-LLVKDONJSA-N 0 3 268.361 -1.044 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C(=O)C3(N)CC3)CCN2C1=O ZINC000648100611 409460338 /nfs/dbraw/zinc/46/03/38/409460338.db2.gz HTIIPDNAKFOXGT-QMMMGPOBSA-N 0 3 266.301 -1.027 20 0 CAADHN CC(C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O)S(C)(=O)=O ZINC000265208723 409415278 /nfs/dbraw/zinc/41/52/78/409415278.db2.gz FGAYTEWFENVMEQ-SVRRBLITSA-N 0 3 288.325 -1.174 20 0 CAADHN CN(C)CCN1CCN(C(=O)CN2CCOCC2)CC1=O ZINC000652734687 409417679 /nfs/dbraw/zinc/41/76/79/409417679.db2.gz SSGFJVLQRLWSCF-UHFFFAOYSA-N 0 3 298.387 -1.449 20 0 CAADHN CN(C)CCN1CCN(C(=O)CCc2nnc[nH]2)CC1=O ZINC000652734542 409417962 /nfs/dbraw/zinc/41/79/62/409417962.db2.gz OEQGKKBYXDETCC-UHFFFAOYSA-N 0 3 294.359 -1.030 20 0 CAADHN CN(C)CCN1CCN(C(=O)CNC(N)=O)CC1=O ZINC000652736629 409418144 /nfs/dbraw/zinc/41/81/44/409418144.db2.gz KLDCKHSEUYUECU-UHFFFAOYSA-N 0 3 271.321 -2.113 20 0 CAADHN CNC(=O)C1(C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC000652735380 409418392 /nfs/dbraw/zinc/41/83/92/409418392.db2.gz IRXPQXLAECRLHN-UHFFFAOYSA-N 0 3 296.371 -1.255 20 0 CAADHN CN(C)CCN1CCN(C(=O)C(=O)NCC2CC2)CC1=O ZINC000652734840 409418594 /nfs/dbraw/zinc/41/85/94/409418594.db2.gz XYXHWKLOUDIVCX-UHFFFAOYSA-N 0 3 296.371 -1.255 20 0 CAADHN CN(C)CCN1CCN(C(=O)CN(C)C)CC1=O ZINC000652735670 409418634 /nfs/dbraw/zinc/41/86/34/409418634.db2.gz PWPJQWCLLCPJJG-UHFFFAOYSA-N 0 3 256.350 -1.220 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCCC(=O)N2)CC1=O ZINC000652734675 409418731 /nfs/dbraw/zinc/41/87/31/409418731.db2.gz SLJJMYIGYPWHLO-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)CCN1CCN(C(=O)CCCC(N)=O)CC1=O ZINC000652735125 409418789 /nfs/dbraw/zinc/41/87/89/409418789.db2.gz CCTDTUJEMMQLJW-UHFFFAOYSA-N 0 3 284.360 -1.126 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1=O ZINC000652734745 409418851 /nfs/dbraw/zinc/41/88/51/409418851.db2.gz UXQOYTZXLBEWOW-LBPRGKRZSA-N 0 3 298.387 -1.451 20 0 CAADHN CN(CCc1cn[nH]n1)C[C@@H](O)CN1CCOCC1 ZINC000647966247 409420231 /nfs/dbraw/zinc/42/02/31/409420231.db2.gz HVNVSOODFRGRQY-GFCCVEGCSA-N 0 3 269.349 -1.028 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@H](C)CN)C[C@H]21 ZINC000659531447 409420503 /nfs/dbraw/zinc/42/05/03/409420503.db2.gz UTWNILUPPNYADN-RGOKHQFPSA-N 0 3 291.373 -1.213 20 0 CAADHN CCN(CCNC(=O)[C@@H](CO)NC(N)=O)C1CC1 ZINC000345403023 409425790 /nfs/dbraw/zinc/42/57/90/409425790.db2.gz AQNHIIWBAWUJIM-SECBINFHSA-N 0 3 258.322 -1.384 20 0 CAADHN C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(=O)N(C)C ZINC000345761607 409430169 /nfs/dbraw/zinc/43/01/69/409430169.db2.gz GGWNMGQKUSAHFM-QWRGUYRKSA-N 0 3 298.387 -1.011 20 0 CAADHN CC(=O)N[C@H](CC(=O)N(C)CCN1CCCC1)C(N)=O ZINC000345801203 409430282 /nfs/dbraw/zinc/43/02/82/409430282.db2.gz UJWGCJGHJPPSQG-LLVKDONJSA-N 0 3 284.360 -1.079 20 0 CAADHN CN(C)CCNC(=O)NCC(=O)N1CCOCC1 ZINC000345901664 409432588 /nfs/dbraw/zinc/43/25/88/409432588.db2.gz ZGLUZZGOSWMGSK-UHFFFAOYSA-N 0 3 258.322 -1.294 20 0 CAADHN CCN(CCO)CCNCc1cn(C)c(=O)n(C)c1=O ZINC000346247678 409433044 /nfs/dbraw/zinc/43/30/44/409433044.db2.gz YDCLXHSWOGDLCX-UHFFFAOYSA-N 0 3 284.360 -1.512 20 0 CAADHN CNCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000346011677 409433587 /nfs/dbraw/zinc/43/35/87/409433587.db2.gz GGZSZZYEIKNUTK-UHFFFAOYSA-N 0 3 298.343 -2.265 20 0 CAADHN COC(CNC(=O)CN(C)C)CNC(=O)CN(C)C ZINC000345989079 409433985 /nfs/dbraw/zinc/43/39/85/409433985.db2.gz JEGOWFPVIKYUNA-UHFFFAOYSA-N 0 3 274.365 -1.643 20 0 CAADHN C[C@H](CN(C)C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000346175468 409434537 /nfs/dbraw/zinc/43/45/37/409434537.db2.gz YZNNFCYSDLNYAT-SSDOTTSWSA-N 0 3 270.289 -1.527 20 0 CAADHN CN1CC[C@](O)(CNC(=O)[C@@H]2COCCN2C)C1 ZINC000346430548 409436528 /nfs/dbraw/zinc/43/65/28/409436528.db2.gz DHDBGBNFKVJITN-JQWIXIFHSA-N 0 3 257.334 -1.500 20 0 CAADHN CCN(CCO)CCNC(=O)CCNC(=O)NC ZINC000346991583 409436705 /nfs/dbraw/zinc/43/67/05/409436705.db2.gz SRWBFNQCLOZNPI-UHFFFAOYSA-N 0 3 260.338 -1.264 20 0 CAADHN CNC(=O)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000346811902 409437059 /nfs/dbraw/zinc/43/70/59/409437059.db2.gz SQZZLXGGRKBBFN-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN CN(C)C(=O)NCCN(C)C[C@@H](O)CN1CCOCC1 ZINC000348922291 409441462 /nfs/dbraw/zinc/44/14/62/409441462.db2.gz UOQYWIFOGBAGJQ-GFCCVEGCSA-N 0 3 288.392 -1.118 20 0 CAADHN COC(=O)C[C@@H](NC(=O)CCOC1CNC1)C(=O)OC ZINC000348988573 409441997 /nfs/dbraw/zinc/44/19/97/409441997.db2.gz BDCAPIXTDKSYJR-SECBINFHSA-N 0 3 288.300 -1.414 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CNC(=O)C2)CC1=O ZINC000354150779 409461321 /nfs/dbraw/zinc/46/13/21/409461321.db2.gz USZGQPYAKZJZPZ-ZJUUUORDSA-N 0 3 282.344 -1.599 20 0 CAADHN COCCNCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000349247469 409442444 /nfs/dbraw/zinc/44/24/44/409442444.db2.gz NTTAPFMCJLHJFD-MRVPVSSYSA-N 0 3 267.351 -1.724 20 0 CAADHN CN(C)C(=O)NCCN(C)C[C@H](O)CN1CCOCC1 ZINC000348922305 409442596 /nfs/dbraw/zinc/44/25/96/409442596.db2.gz UOQYWIFOGBAGJQ-LBPRGKRZSA-N 0 3 288.392 -1.118 20 0 CAADHN CN1CCN(C)[C@@H](CNC(=O)CCOC2CNC2)C1 ZINC000348986157 409442689 /nfs/dbraw/zinc/44/26/89/409442689.db2.gz BJNMHBUGHJYZRX-NSHDSACASA-N 0 3 270.377 -1.273 20 0 CAADHN COCCNCCNC(=O)C(C)(C)NS(C)(=O)=O ZINC000349210062 409442789 /nfs/dbraw/zinc/44/27/89/409442789.db2.gz RFJKDNYYKMMMNL-UHFFFAOYSA-N 0 3 281.378 -1.334 20 0 CAADHN CS(=O)(=O)NCCNC(=O)CCOC1CNC1 ZINC000349051502 409443135 /nfs/dbraw/zinc/44/31/35/409443135.db2.gz KNFJWHFXYDOUCI-UHFFFAOYSA-N 0 3 265.335 -1.970 20 0 CAADHN CC1(C)CN(C(=O)CN2CCNCC2=O)CCN1 ZINC000417833777 409443174 /nfs/dbraw/zinc/44/31/74/409443174.db2.gz MHRLCMXVKRRWKW-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN O=C(CCOC1CNC1)N1CCN2C(=O)NC[C@H]2C1 ZINC000348990684 409443340 /nfs/dbraw/zinc/44/33/40/409443340.db2.gz MNICAFPDDUOIRN-VIFPVBQESA-N 0 3 268.317 -1.399 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000349005080 409443420 /nfs/dbraw/zinc/44/34/20/409443420.db2.gz SAOVVNZLSUVLKO-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN CN(CCCNC(=O)C[C@@H]1CNCCO1)S(C)(=O)=O ZINC000645481712 409444810 /nfs/dbraw/zinc/44/48/10/409444810.db2.gz OIOUXGPPHXHMFK-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CN(CCCNC(=O)C[C@H]1CNCCO1)S(C)(=O)=O ZINC000645481711 409445391 /nfs/dbraw/zinc/44/53/91/409445391.db2.gz OIOUXGPPHXHMFK-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CN(CCCNC(=O)CCOC1CNC1)S(C)(=O)=O ZINC000645481278 409445638 /nfs/dbraw/zinc/44/56/38/409445638.db2.gz JZPNNOCPPGMGFQ-UHFFFAOYSA-N 0 3 293.389 -1.237 20 0 CAADHN C[C@H](CN(C)C)NC(=O)NCCNS(C)(=O)=O ZINC000350132085 409445847 /nfs/dbraw/zinc/44/58/47/409445847.db2.gz YCDVQAKSYAIPIM-MRVPVSSYSA-N 0 3 266.367 -1.215 20 0 CAADHN COC(=O)CNC(=O)CCN1CCC[C@@H]1C(N)=O ZINC000354141107 409461489 /nfs/dbraw/zinc/46/14/89/409461489.db2.gz CJHIOXSFQINEIC-MRVPVSSYSA-N 0 3 257.290 -1.385 20 0 CAADHN COCCCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000519764928 409446930 /nfs/dbraw/zinc/44/69/30/409446930.db2.gz BVAZRWRHFLONFJ-UWVGGRQHSA-N 0 3 298.343 -2.091 20 0 CAADHN COCCN1CC[C@H](NC[C@H](O)CN2CCOCC2)C1 ZINC000520397937 409446951 /nfs/dbraw/zinc/44/69/51/409446951.db2.gz OBORUICKLWRIDC-KBPBESRZSA-N 0 3 287.404 -1.010 20 0 CAADHN COCCN1CC[C@@H](NC[C@@H](O)CN2CCOCC2)C1 ZINC000520397940 409447152 /nfs/dbraw/zinc/44/71/52/409447152.db2.gz OBORUICKLWRIDC-ZIAGYGMSSA-N 0 3 287.404 -1.010 20 0 CAADHN CCN(CCO)CCNC[C@H](O)CN1CCOCC1 ZINC000519614448 409447515 /nfs/dbraw/zinc/44/75/15/409447515.db2.gz YFFKIJMIRRQQFL-ZDUSSCGKSA-N 0 3 275.393 -1.417 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000519764029 409447831 /nfs/dbraw/zinc/44/78/31/409447831.db2.gz IDYRFTWCMPCUJQ-WDEREUQCSA-N 0 3 268.361 -1.044 20 0 CAADHN CCNS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000519707326 409447846 /nfs/dbraw/zinc/44/78/46/409447846.db2.gz LYVPSENHPVVWDL-YUMQZZPRSA-N 0 3 262.335 -1.916 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC(=O)N(C)C2)CC1=O ZINC000329491618 409448082 /nfs/dbraw/zinc/44/80/82/409448082.db2.gz VPKNKSYFGFWTNP-JTQLQIEISA-N 0 3 282.344 -1.345 20 0 CAADHN CCNS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000519707307 409448095 /nfs/dbraw/zinc/44/80/95/409448095.db2.gz LYVPSENHPVVWDL-JGVFFNPUSA-N 0 3 262.335 -1.916 20 0 CAADHN C[C@H](O)C(=O)N1CCN(C[C@H](O)CN(C)C2CC2)CC1 ZINC000351710309 409449341 /nfs/dbraw/zinc/44/93/41/409449341.db2.gz BTQLKVBFBMMKFK-WCQYABFASA-N 0 3 285.388 -1.034 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C[C@H](O)CN(C)C1CC1 ZINC000351387294 409450184 /nfs/dbraw/zinc/45/01/84/409450184.db2.gz PFRNQAVUTZUPPL-VXGBXAGGSA-N 0 3 299.371 -1.195 20 0 CAADHN CCCN(C)CC(=O)N1CCN(C(=O)CO)CC1 ZINC000330533361 409450567 /nfs/dbraw/zinc/45/05/67/409450567.db2.gz ICRLBAYHIRVKFG-UHFFFAOYSA-N 0 3 257.334 -1.009 20 0 CAADHN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)COCCN ZINC000648087994 409456252 /nfs/dbraw/zinc/45/62/52/409456252.db2.gz HATBQNHWSMIFDN-BDAKNGLRSA-N 0 3 264.347 -1.004 20 0 CAADHN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)COCCN ZINC000648087996 409456586 /nfs/dbraw/zinc/45/65/86/409456586.db2.gz HATBQNHWSMIFDN-IUCAKERBSA-N 0 3 264.347 -1.004 20 0 CAADHN CC1(OCC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CNC1 ZINC000648086276 409456857 /nfs/dbraw/zinc/45/68/57/409456857.db2.gz LWQRARLCQGMSGF-SECBINFHSA-N 0 3 291.373 -1.485 20 0 CAADHN CCNC(=O)N1CC[C@@H](NC(=O)[C@H](CN)OC)C1 ZINC000352997641 409457008 /nfs/dbraw/zinc/45/70/08/409457008.db2.gz AVPIIJAMRKBTEJ-BDAKNGLRSA-N 0 3 258.322 -1.120 20 0 CAADHN CO[C@H](CN)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000352925524 409457016 /nfs/dbraw/zinc/45/70/16/409457016.db2.gz YKSVUNKHUUPJBF-SNVBAGLBSA-N 0 3 293.389 -1.204 20 0 CAADHN COCCN(C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000352969465 409457415 /nfs/dbraw/zinc/45/74/15/409457415.db2.gz JYOXBBYICOKRAU-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CC1(OCC(=O)N2CC[C@H](NS(C)(=O)=O)C2)CNC1 ZINC000648086277 409457648 /nfs/dbraw/zinc/45/76/48/409457648.db2.gz LWQRARLCQGMSGF-VIFPVBQESA-N 0 3 291.373 -1.485 20 0 CAADHN COCCNCCNC(=O)c1nc2n(n1)CCCN2 ZINC000648106237 409458313 /nfs/dbraw/zinc/45/83/13/409458313.db2.gz PKPLRBVLNSVZRL-UHFFFAOYSA-N 0 3 268.321 -1.683 20 0 CAADHN CN(C)CCOCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000355764599 409466249 /nfs/dbraw/zinc/46/62/49/409466249.db2.gz HQXWMYLUZWZHBV-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CN(C)CCOCCNC(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000355764594 409466384 /nfs/dbraw/zinc/46/63/84/409466384.db2.gz HQXWMYLUZWZHBV-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCN(C)C ZINC000354451689 409462793 /nfs/dbraw/zinc/46/27/93/409462793.db2.gz VAZUMNNJKJHUKB-PSASIEDQSA-N 0 3 257.334 -1.060 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CNC(=O)C2)CC1=O ZINC000354150778 409463023 /nfs/dbraw/zinc/46/30/23/409463023.db2.gz USZGQPYAKZJZPZ-VHSXEESVSA-N 0 3 282.344 -1.599 20 0 CAADHN CO[C@@H](CNC(=O)C(=O)NC1CNC1)[C@H]1CCOC1 ZINC000659715169 409471886 /nfs/dbraw/zinc/47/18/86/409471886.db2.gz SOCAGVLGTOFISH-WPRPVWTQSA-N 0 3 271.317 -1.758 20 0 CAADHN C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000659717298 409471966 /nfs/dbraw/zinc/47/19/66/409471966.db2.gz GGRRLWHKMYEELL-CIUDSAMLSA-N 0 3 298.343 -1.780 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000659716509 409472415 /nfs/dbraw/zinc/47/24/15/409472415.db2.gz AQCQABXZCGDGOY-RNFRBKRXSA-N 0 3 265.260 -1.010 20 0 CAADHN CN1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](CN)C1 ZINC000653054966 409472874 /nfs/dbraw/zinc/47/28/74/409472874.db2.gz DIZJUEZZVFLDIZ-DTWKUNHWSA-N 0 3 276.362 -2.221 20 0 CAADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000659717856 409472969 /nfs/dbraw/zinc/47/29/69/409472969.db2.gz KNFOJOWTPLVNSL-IUCAKERBSA-N 0 3 270.333 -1.519 20 0 CAADHN CN(C)[C@H]1CN(C[C@H](O)CN2CCOCC2)C[C@@H]1O ZINC000653687636 409474486 /nfs/dbraw/zinc/47/44/86/409474486.db2.gz JHRKSVIXEJFTNH-AGIUHOORSA-N 0 3 273.377 -1.714 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC[C@@H](NC(N)=O)C1 ZINC000653594201 409473714 /nfs/dbraw/zinc/47/37/14/409473714.db2.gz CULVNCQYEWGJJC-MNOVXSKESA-N 0 3 274.365 -1.332 20 0 CAADHN CN(C)[C@H]1CN(CCN2C(=O)CCC2=O)C[C@@H]1O ZINC000653686259 409473948 /nfs/dbraw/zinc/47/39/48/409473948.db2.gz RHHQZSXPXTYLAF-UWVGGRQHSA-N 0 3 255.318 -1.258 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000659725265 409474011 /nfs/dbraw/zinc/47/40/11/409474011.db2.gz ZCMLOSIIZKCGQM-RYUDHWBXSA-N 0 3 299.371 -1.167 20 0 CAADHN CN1CCC[C@H](N2CCN(S(N)(=O)=O)CC2)C1 ZINC000362946204 409468963 /nfs/dbraw/zinc/46/89/63/409468963.db2.gz WSLURAPAIJDJKT-JTQLQIEISA-N 0 3 262.379 -1.098 20 0 CAADHN C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000362890538 409469160 /nfs/dbraw/zinc/46/91/60/409469160.db2.gz GNNAUGWHUKZSNR-OPRDCNLKSA-N 0 3 280.328 -1.053 20 0 CAADHN C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000362890538 409469162 /nfs/dbraw/zinc/46/91/62/409469162.db2.gz GNNAUGWHUKZSNR-OPRDCNLKSA-N 0 3 280.328 -1.053 20 0 CAADHN CC[C@@H](N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000645700221 409474556 /nfs/dbraw/zinc/47/45/56/409474556.db2.gz IVOFELFIXPKBHH-SNVBAGLBSA-N 0 3 292.405 -1.583 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000659719415 409474591 /nfs/dbraw/zinc/47/45/91/409474591.db2.gz XBTLQLZHUATISA-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000419980701 409476098 /nfs/dbraw/zinc/47/60/98/409476098.db2.gz SCINQRSFNQSHEN-NXEZZACHSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC(=O)N(C)C2)[C@H]1CN ZINC000418798188 409476649 /nfs/dbraw/zinc/47/66/49/409476649.db2.gz GXKJHTKNNHRYGV-VWYCJHECSA-N 0 3 296.371 -1.081 20 0 CAADHN COC(=O)[C@H]1COCCN1C(=O)C(C)S(C)(=O)=O ZINC000135521295 409477082 /nfs/dbraw/zinc/47/70/82/409477082.db2.gz AEWOVYKATZGDON-HTQZYQBOSA-N 0 3 279.314 -1.180 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@@H](CN)C1 ZINC000515350823 409478838 /nfs/dbraw/zinc/47/88/38/409478838.db2.gz DSILMRXEJNNNBS-ZJUUUORDSA-N 0 3 254.334 -1.386 20 0 CAADHN C[C@@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000423642118 409478966 /nfs/dbraw/zinc/47/89/66/409478966.db2.gz KFEIVYSMMFCROK-GRYCIOLGSA-N 0 3 280.372 -1.031 20 0 CAADHN CN1CC[C@H]2OCCN(C(=O)[C@H]3CNCCO3)[C@@H]2C1 ZINC000424186720 409479285 /nfs/dbraw/zinc/47/92/85/409479285.db2.gz TVUCXPWGTADKGH-IJLUTSLNSA-N 0 3 269.345 -1.094 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CC(=O)N1 ZINC000423586447 409479413 /nfs/dbraw/zinc/47/94/13/409479413.db2.gz BGVUKJPEXAEWOX-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000515187326 409480232 /nfs/dbraw/zinc/48/02/32/409480232.db2.gz ZFJQCDLLVDSLID-SNVBAGLBSA-N 0 3 253.302 -1.288 20 0 CAADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000419980704 409475996 /nfs/dbraw/zinc/47/59/96/409475996.db2.gz SCINQRSFNQSHEN-VHSXEESVSA-N 0 3 284.360 -1.177 20 0 CAADHN Cn1nncc1S(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000658408587 409483267 /nfs/dbraw/zinc/48/32/67/409483267.db2.gz WGVPISGRVMKJKU-RNFRBKRXSA-N 0 3 263.298 -1.125 20 0 CAADHN N[C@@H]1CN(S(=O)(=O)N2CCOCC2)CC[C@H]1F ZINC000658407645 409483523 /nfs/dbraw/zinc/48/35/23/409483523.db2.gz DDBNTYHNRSXAHR-RKDXNWHRSA-N 0 3 267.326 -1.066 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@H](CO)CN1CCCC1 ZINC000646224374 409485322 /nfs/dbraw/zinc/48/53/22/409485322.db2.gz STLCMLDHEDSSNC-VIFPVBQESA-N 0 3 284.316 -1.889 20 0 CAADHN COCCNCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659357717 409485358 /nfs/dbraw/zinc/48/53/58/409485358.db2.gz LQGGDWKYDCEALI-UHFFFAOYSA-N 0 3 288.392 -1.299 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1CCOCC1=O ZINC000646209614 409485425 /nfs/dbraw/zinc/48/54/25/409485425.db2.gz MRUVTTDXIJKGGK-VIFPVBQESA-N 0 3 259.306 -2.116 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000646211946 409485449 /nfs/dbraw/zinc/48/54/49/409485449.db2.gz GYEKUTBFGBKUGI-SSDOTTSWSA-N 0 3 270.289 -1.862 20 0 CAADHN COCCN1C[C@@H](C(=O)N[C@@H](CO)CN(C)C)CC1=O ZINC000646210905 409485467 /nfs/dbraw/zinc/48/54/67/409485467.db2.gz LGWUFCMOFDRLIC-WDEREUQCSA-N 0 3 287.360 -1.480 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@@H](CO)CN1CCCC1 ZINC000646221289 409485528 /nfs/dbraw/zinc/48/55/28/409485528.db2.gz DEAOGYGSQUDJCF-LLVKDONJSA-N 0 3 285.344 -1.582 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNC(C)C ZINC000659340837 409485581 /nfs/dbraw/zinc/48/55/81/409485581.db2.gz BAXNZGGVIVHHJO-IUCAKERBSA-N 0 3 264.347 -1.087 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CS(=O)(=O)N(C)C ZINC000646209255 409485634 /nfs/dbraw/zinc/48/56/34/409485634.db2.gz CNWATYAGNGAOKS-QMMMGPOBSA-N 0 3 267.351 -2.084 20 0 CAADHN COCCN1C[C@H](C(=O)N[C@@H](CO)CN(C)C)CC1=O ZINC000646210902 409485750 /nfs/dbraw/zinc/48/57/50/409485750.db2.gz LGWUFCMOFDRLIC-GHMZBOCLSA-N 0 3 287.360 -1.480 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@H]1NCC1(C)C ZINC000659341791 409485831 /nfs/dbraw/zinc/48/58/31/409485831.db2.gz LBGODYZIGQIOFH-HLTSFMKQSA-N 0 3 276.358 -1.087 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)COC1(C)CNC1 ZINC000659341712 409485883 /nfs/dbraw/zinc/48/58/83/409485883.db2.gz JQWRBUCXBXTEBY-RKDXNWHRSA-N 0 3 292.357 -1.707 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@@H](CO)CN1CCCC1 ZINC000646224373 409485923 /nfs/dbraw/zinc/48/59/23/409485923.db2.gz STLCMLDHEDSSNC-SECBINFHSA-N 0 3 284.316 -1.889 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CNC(C)C ZINC000659340839 409485936 /nfs/dbraw/zinc/48/59/36/409485936.db2.gz BAXNZGGVIVHHJO-RKDXNWHRSA-N 0 3 264.347 -1.087 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@H](C)N)CCN2C1=O ZINC000646181453 409485948 /nfs/dbraw/zinc/48/59/48/409485948.db2.gz NXXZAVMIDMTSEB-YUMQZZPRSA-N 0 3 254.290 -1.172 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)COC1(C)CNC1 ZINC000659341673 409486292 /nfs/dbraw/zinc/48/62/92/409486292.db2.gz JQWRBUCXBXTEBY-IUCAKERBSA-N 0 3 292.357 -1.707 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1CC(=O)NC1=O ZINC000646212253 409486448 /nfs/dbraw/zinc/48/64/48/409486448.db2.gz WVPUJYLDPDWJDI-ZETCQYMHSA-N 0 3 258.278 -2.423 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C(=O)CNC)CCN2C1=O ZINC000646181251 409486585 /nfs/dbraw/zinc/48/65/85/409486585.db2.gz CUPZEDWVPJOTNM-QMMMGPOBSA-N 0 3 254.290 -1.299 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1COCCO1 ZINC000646224376 409486638 /nfs/dbraw/zinc/48/66/38/409486638.db2.gz SZOBSDZLWMRCGU-MNOVXSKESA-N 0 3 258.318 -1.025 20 0 CAADHN CC1(C)CN[C@H]1C(=O)NCC(=O)N1CCOCC1 ZINC000646294021 409487309 /nfs/dbraw/zinc/48/73/09/409487309.db2.gz IRXBBWHZUHOCKC-JTQLQIEISA-N 0 3 255.318 -1.041 20 0 CAADHN CC1(C)CN[C@@H]1C(=O)N1CC[C@H](S(N)(=O)=O)C1 ZINC000646254542 409488052 /nfs/dbraw/zinc/48/80/52/409488052.db2.gz YQRQTNQVCLCWSS-JGVFFNPUSA-N 0 3 261.347 -1.126 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@@H]1O ZINC000646307142 409488226 /nfs/dbraw/zinc/48/82/26/409488226.db2.gz IOGYZINVQIHPKQ-UTLUCORTSA-N 0 3 255.318 -1.260 20 0 CAADHN CC1(C)CN[C@@H]1C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000646254541 409488239 /nfs/dbraw/zinc/48/82/39/409488239.db2.gz YQRQTNQVCLCWSS-HTQZYQBOSA-N 0 3 261.347 -1.126 20 0 CAADHN O[C@@H](CN1CCOCC1)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000653824852 409494963 /nfs/dbraw/zinc/49/49/63/409494963.db2.gz JKWSXRQNDRMSGA-MJBXVCDLSA-N 0 3 285.388 -1.570 20 0 CAADHN O=C(CCN1CCN2C[C@H](O)C[C@H]2C1)N1CCOCC1 ZINC000653826194 409495081 /nfs/dbraw/zinc/49/50/81/409495081.db2.gz VVGYYHQRGNLRMQ-QWHCGFSZSA-N 0 3 283.372 -1.014 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CCN(C)C[C@@H]1CN ZINC000646835326 409495143 /nfs/dbraw/zinc/49/51/43/409495143.db2.gz CSHAVYWQAKOSRI-VHSXEESVSA-N 0 3 254.334 -1.292 20 0 CAADHN CCN(CCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C1CC1 ZINC000646794041 409495333 /nfs/dbraw/zinc/49/53/33/409495333.db2.gz UCSOQIPHYOVILD-JHJVBQTASA-N 0 3 284.356 -1.000 20 0 CAADHN CN1CCN(C(=O)CN2CCNCC2=O)[C@H](CN)C1 ZINC000646833194 409495350 /nfs/dbraw/zinc/49/53/50/409495350.db2.gz OUFVXQFOQBWBPT-SNVBAGLBSA-N 0 3 269.349 -2.481 20 0 CAADHN CN(C)[C@H]1CCCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC000646796063 409495577 /nfs/dbraw/zinc/49/55/77/409495577.db2.gz JGHQJASOSKOEJL-JTQLQIEISA-N 0 3 292.405 -1.065 20 0 CAADHN COCCN1CCC(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000646761688 409495831 /nfs/dbraw/zinc/49/58/31/409495831.db2.gz ACECZQZWRANZAG-JTQLQIEISA-N 0 3 298.343 -1.189 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC2COCCOC2)CC1=O ZINC000646800018 409495989 /nfs/dbraw/zinc/49/59/89/409495989.db2.gz RVITYKDQIAJMEC-LLVKDONJSA-N 0 3 299.371 -1.072 20 0 CAADHN NC(=O)[C@]1(NCCCN2CCOCC2)CCOC1 ZINC000653841446 409496715 /nfs/dbraw/zinc/49/67/15/409496715.db2.gz CNCZGCNOAGDWPY-LBPRGKRZSA-N 0 3 257.334 -1.057 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000646578606 409489419 /nfs/dbraw/zinc/48/94/19/409489419.db2.gz SCMFNCRYPWJKOS-MRVPVSSYSA-N 0 3 251.352 -1.008 20 0 CAADHN CCN1CCC(NC(=O)CNS(=O)(=O)N(C)C)CC1 ZINC000646618081 409490158 /nfs/dbraw/zinc/49/01/58/409490158.db2.gz COBRBMLHOKDPAS-UHFFFAOYSA-N 0 3 292.405 -1.017 20 0 CAADHN CN(C)CCNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000646578552 409490201 /nfs/dbraw/zinc/49/02/01/409490201.db2.gz KAIZWTAMSOFPPJ-VIFPVBQESA-N 0 3 278.378 -1.420 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)[C@H]2NCC2(C)C)CCO1 ZINC000646523594 409490530 /nfs/dbraw/zinc/49/05/30/409490530.db2.gz ZVHHCYOZYSCCJF-DTWKUNHWSA-N 0 3 255.318 -1.042 20 0 CAADHN O=C(NCCN1CCCOCC1)[C@@H]1CNCCO1 ZINC000646504092 409491001 /nfs/dbraw/zinc/49/10/01/409491001.db2.gz VEVZKSGOTBZSKQ-NSHDSACASA-N 0 3 257.334 -1.187 20 0 CAADHN CC(C)C[C@@H](N)C(=O)NCC(=O)N1CCNCC1 ZINC000646636891 409491824 /nfs/dbraw/zinc/49/18/24/409491824.db2.gz DUEKTTXFIGILET-SNVBAGLBSA-N 0 3 256.350 -1.092 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)NCCN1CCCCC1 ZINC000646678855 409492514 /nfs/dbraw/zinc/49/25/14/409492514.db2.gz FXWCLCBIXMUXQM-UHFFFAOYSA-N 0 3 292.405 -1.016 20 0 CAADHN CN(C)[C@H]1CCCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC000646796271 409494185 /nfs/dbraw/zinc/49/41/85/409494185.db2.gz TYHCJQPJEHJPBY-UMSGYPCISA-N 0 3 284.356 -1.048 20 0 CAADHN O=C(CN1CCN(C2CC2)C1=O)NC[C@H]1CNCCO1 ZINC000659322701 409555006 /nfs/dbraw/zinc/55/50/06/409555006.db2.gz PKLIJDLUMYZKMV-LLVKDONJSA-N 0 3 282.344 -1.009 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H](C)CN ZINC000659529398 409557167 /nfs/dbraw/zinc/55/71/67/409557167.db2.gz BFGGSLUBOVKOJA-BWZBUEFSSA-N 0 3 265.335 -1.555 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H](CN)C1CC1 ZINC000659518718 409557193 /nfs/dbraw/zinc/55/71/93/409557193.db2.gz JLZIVIJZOOHGHN-KXUCPTDWSA-N 0 3 291.373 -1.165 20 0 CAADHN N[C@@H]1CN(C(=O)NCCN2CCNC(=O)C2)CC[C@H]1F ZINC000659479576 409557225 /nfs/dbraw/zinc/55/72/25/409557225.db2.gz LNYJYRKALZGWOE-NXEZZACHSA-N 0 3 287.339 -1.501 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)CCN ZINC000659563943 409557420 /nfs/dbraw/zinc/55/74/20/409557420.db2.gz DSRCUARDIHRKGN-JGVFFNPUSA-N 0 3 265.335 -1.602 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@@H](C)N ZINC000659535680 409558264 /nfs/dbraw/zinc/55/82/64/409558264.db2.gz CUHSCVNESMWCTB-BWZBUEFSSA-N 0 3 265.335 -1.555 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H](CN)C1CC1 ZINC000659518713 409558312 /nfs/dbraw/zinc/55/83/12/409558312.db2.gz JLZIVIJZOOHGHN-IVZWLZJFSA-N 0 3 291.373 -1.165 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC[C@H](C)N ZINC000659535982 409558538 /nfs/dbraw/zinc/55/85/38/409558538.db2.gz CUHSCVNESMWCTB-XLPZGREQSA-N 0 3 265.335 -1.555 20 0 CAADHN N[C@@H]1CN(C(=O)NCC(=O)N2CCNCC2)CC[C@H]1F ZINC000659509099 409558825 /nfs/dbraw/zinc/55/88/25/409558825.db2.gz VQTQFZMHZNSWFC-NXEZZACHSA-N 0 3 287.339 -1.501 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@@H](N)C1 ZINC000659565781 409560362 /nfs/dbraw/zinc/56/03/62/409560362.db2.gz TZNFZILMPNVPCQ-VGMNWLOBSA-N 0 3 277.346 -1.459 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NC(C)(C)CN ZINC000659565088 409560560 /nfs/dbraw/zinc/56/05/60/409560560.db2.gz NZAYAELKGVLVBQ-SFYZADRCSA-N 0 3 279.362 -1.165 20 0 CAADHN CN1C[C@@H](NC(=O)C(=O)N2CC3CC2(CN)C3)CCC1=O ZINC000659682779 409560656 /nfs/dbraw/zinc/56/06/56/409560656.db2.gz NFFKQHVKWPCIQE-XIRUVYRFSA-N 0 3 294.355 -1.327 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)NCCn1cccn1 ZINC000659675448 409560806 /nfs/dbraw/zinc/56/08/06/409560806.db2.gz UZIIPCDILBCDHF-UHFFFAOYSA-N 0 3 277.328 -1.051 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@H](N)C1 ZINC000659565782 409560986 /nfs/dbraw/zinc/56/09/86/409560986.db2.gz TZNFZILMPNVPCQ-XHNCKOQMSA-N 0 3 277.346 -1.459 20 0 CAADHN CCN(C)C(=O)CNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659689385 409561195 /nfs/dbraw/zinc/56/11/95/409561195.db2.gz CCLIKWLDVRZSIH-UHFFFAOYSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H](CNC(=O)N1CCN(C)C[C@H]1CN)S(C)(=O)=O ZINC000659641755 409561648 /nfs/dbraw/zinc/56/16/48/409561648.db2.gz SCJMZVAZPPJYRT-VHSXEESVSA-N 0 3 292.405 -1.296 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@@H](N)C1 ZINC000659565778 409561722 /nfs/dbraw/zinc/56/17/22/409561722.db2.gz TZNFZILMPNVPCQ-HLTSFMKQSA-N 0 3 277.346 -1.459 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000659713612 409563338 /nfs/dbraw/zinc/56/33/38/409563338.db2.gz GCDUIJQJZAFCEK-NSHDSACASA-N 0 3 282.344 -1.993 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCc2nccnc2C1 ZINC000659713639 409563456 /nfs/dbraw/zinc/56/34/56/409563456.db2.gz GVUDJFDKVCGIIX-UHFFFAOYSA-N 0 3 261.285 -1.551 20 0 CAADHN CN(CC1=CCCOC1)C(=O)C(=O)NC1CNC1 ZINC000659714209 409563469 /nfs/dbraw/zinc/56/34/69/409563469.db2.gz LFCWYDAYDCPWIN-UHFFFAOYSA-N 0 3 253.302 -1.121 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCOC1 ZINC000659701203 409564009 /nfs/dbraw/zinc/56/40/09/409564009.db2.gz YKFUOKMFZTUXFR-NBBOBHDQSA-N 0 3 253.302 -1.159 20 0 CAADHN N[C@H](CNC(=O)C(=O)N[C@H]1CCNC1=O)c1ccccc1 ZINC000659711626 409564047 /nfs/dbraw/zinc/56/40/47/409564047.db2.gz BSUDUTNLBSDFLV-MNOVXSKESA-N 0 3 290.323 -1.193 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000659715614 409564185 /nfs/dbraw/zinc/56/41/85/409564185.db2.gz XNFSZCSWJRDLMP-IUCAKERBSA-N 0 3 253.302 -1.431 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC1CNC1 ZINC000659714068 409564276 /nfs/dbraw/zinc/56/42/76/409564276.db2.gz JEYZAWDCPMWCKC-YUMQZZPRSA-N 0 3 291.329 -2.997 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000659713610 409564367 /nfs/dbraw/zinc/56/43/67/409564367.db2.gz GCDUIJQJZAFCEK-LLVKDONJSA-N 0 3 282.344 -1.993 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000659715612 409565425 /nfs/dbraw/zinc/56/54/25/409565425.db2.gz XNFSZCSWJRDLMP-DTWKUNHWSA-N 0 3 253.302 -1.431 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCOC1 ZINC000659701204 409565848 /nfs/dbraw/zinc/56/58/48/409565848.db2.gz YKFUOKMFZTUXFR-XEVUQIKYSA-N 0 3 253.302 -1.159 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648838629 409499029 /nfs/dbraw/zinc/49/90/29/409499029.db2.gz QVQJBJJRLLKJCB-ONGXEEELSA-N 0 3 293.389 -1.551 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648838628 409499273 /nfs/dbraw/zinc/49/92/73/409499273.db2.gz QVQJBJJRLLKJCB-MWLCHTKSSA-N 0 3 293.389 -1.551 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648838627 409500534 /nfs/dbraw/zinc/50/05/34/409500534.db2.gz QVQJBJJRLLKJCB-KOLCDFICSA-N 0 3 293.389 -1.551 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000659719618 409567518 /nfs/dbraw/zinc/56/75/18/409567518.db2.gz ZQYJOZWMSJHBDD-ZJUUUORDSA-N 0 3 299.375 -1.336 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCN(CCc2c[nH]nn2)C1 ZINC000660116872 409501807 /nfs/dbraw/zinc/50/18/07/409501807.db2.gz DSALNBRKQAIKRG-SECBINFHSA-N 0 3 259.335 -1.029 20 0 CAADHN CN(C)CCOCCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648853529 409501846 /nfs/dbraw/zinc/50/18/46/409501846.db2.gz FYBJVTLOPXDVCU-JTQLQIEISA-N 0 3 293.389 -1.285 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648863813 409502029 /nfs/dbraw/zinc/50/20/29/409502029.db2.gz YFWOPBUDBHKNER-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1COCCN1C ZINC000649070525 409503007 /nfs/dbraw/zinc/50/30/07/409503007.db2.gz QDFOUXYMDRTRHG-RYUDHWBXSA-N 0 3 298.387 -1.105 20 0 CAADHN CNC(=O)CC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649071768 409503052 /nfs/dbraw/zinc/50/30/52/409503052.db2.gz REGGWLDIHZADRJ-SECBINFHSA-N 0 3 270.333 -1.299 20 0 CAADHN COC[C@](C)(O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649074185 409503065 /nfs/dbraw/zinc/50/30/65/409503065.db2.gz CPBBKIRTKWZOPE-MFKMUULPSA-N 0 3 287.360 -1.038 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CC(N)=O ZINC000649075862 409503089 /nfs/dbraw/zinc/50/30/89/409503089.db2.gz LOEHMIIIRBUMES-QMMMGPOBSA-N 0 3 256.306 -1.560 20 0 CAADHN CNC(=O)NCCC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649070622 409503227 /nfs/dbraw/zinc/50/32/27/409503227.db2.gz RTPRFYDHZPEXQC-SNVBAGLBSA-N 0 3 299.375 -1.116 20 0 CAADHN COC[C@](C)(O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649074183 409503235 /nfs/dbraw/zinc/50/32/35/409503235.db2.gz CPBBKIRTKWZOPE-GWCFXTLKSA-N 0 3 287.360 -1.038 20 0 CAADHN CCCN(C(=O)CNS(=O)(=O)NC)[C@H]1CCN(C)C1 ZINC000648996602 409503306 /nfs/dbraw/zinc/50/33/06/409503306.db2.gz WILXZEGHSNLOOW-JTQLQIEISA-N 0 3 292.405 -1.017 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CNC(N)=O ZINC000649080134 409503443 /nfs/dbraw/zinc/50/34/43/409503443.db2.gz RDKYPIQKDDSEOW-QMMMGPOBSA-N 0 3 271.321 -1.767 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1CCOCC1 ZINC000649073129 409503538 /nfs/dbraw/zinc/50/35/38/409503538.db2.gz PAVJQFBQMRFOLJ-GFCCVEGCSA-N 0 3 298.387 -1.103 20 0 CAADHN CC(=O)NCC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649080843 409503801 /nfs/dbraw/zinc/50/38/01/409503801.db2.gz GXRGXIQYMQJYNO-SECBINFHSA-N 0 3 270.333 -1.299 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CNC(N)=O ZINC000649080133 409503906 /nfs/dbraw/zinc/50/39/06/409503906.db2.gz RDKYPIQKDDSEOW-MRVPVSSYSA-N 0 3 271.321 -1.767 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(NC(N)=O)CC1 ZINC000649072640 409503915 /nfs/dbraw/zinc/50/39/15/409503915.db2.gz GKQZGZIHUUBMNB-VIFPVBQESA-N 0 3 297.359 -1.234 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nc[nH]n1 ZINC000649073433 409503925 /nfs/dbraw/zinc/50/39/25/409503925.db2.gz XBNCLUQRGAALEI-MRVPVSSYSA-N 0 3 266.305 -1.003 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCC(=O)N1 ZINC000649075877 409504004 /nfs/dbraw/zinc/50/40/04/409504004.db2.gz LXMJWRYQEUREPC-NXEZZACHSA-N 0 3 282.344 -1.157 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CCC(=O)N1 ZINC000649075878 409504054 /nfs/dbraw/zinc/50/40/54/409504054.db2.gz LXMJWRYQEUREPC-UWVGGRQHSA-N 0 3 282.344 -1.157 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cn[nH]n1 ZINC000649077239 409504227 /nfs/dbraw/zinc/50/42/27/409504227.db2.gz OTUZPIAWRFSASR-QMMMGPOBSA-N 0 3 266.305 -1.003 20 0 CAADHN NC(=O)NC(=O)CCCN1CCN2CCOC[C@H]2C1 ZINC000543554224 409506593 /nfs/dbraw/zinc/50/65/93/409506593.db2.gz OQPVWFUYOQWCRH-SNVBAGLBSA-N 0 3 270.333 -1.022 20 0 CAADHN O=C(NCCN1CCNC(=O)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000543762576 409506765 /nfs/dbraw/zinc/50/67/65/409506765.db2.gz LKACZXQOUNGEMX-LLVKDONJSA-N 0 3 295.387 -1.046 20 0 CAADHN NC(=O)NC(=O)CCCN1CCN2CCOC[C@@H]2C1 ZINC000543554223 409507001 /nfs/dbraw/zinc/50/70/01/409507001.db2.gz OQPVWFUYOQWCRH-JTQLQIEISA-N 0 3 270.333 -1.022 20 0 CAADHN CS(=O)(=O)N1CCN(CCNC(=O)C2(N)CC2)CC1 ZINC000649303682 409507895 /nfs/dbraw/zinc/50/78/95/409507895.db2.gz RLMXXYOKAXWWRI-UHFFFAOYSA-N 0 3 290.389 -1.829 20 0 CAADHN CN(C)CC(C)(C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC000650086685 409509665 /nfs/dbraw/zinc/50/96/65/409509665.db2.gz FIIVBWTWBLRJGH-UHFFFAOYSA-N 0 3 268.321 -1.167 20 0 CAADHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H](O)CN1CCOCC1 ZINC000573403869 409510306 /nfs/dbraw/zinc/51/03/06/409510306.db2.gz QHAUQJNMXXZSTE-IJLUTSLNSA-N 0 3 271.361 -1.206 20 0 CAADHN CN(C)c1nc(N)nc(CN2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000405250360 409511190 /nfs/dbraw/zinc/51/11/90/409511190.db2.gz COELLZOVXATEOV-VHSXEESVSA-N 0 3 293.375 -1.399 20 0 CAADHN C[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(=O)N(C)C ZINC000654380770 409511394 /nfs/dbraw/zinc/51/13/94/409511394.db2.gz DTTOKNSCXFVBAQ-GARJFASQSA-N 0 3 284.360 -1.077 20 0 CAADHN O=C(NC[C@@H]1CCCNC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654592642 409511513 /nfs/dbraw/zinc/51/15/13/409511513.db2.gz YYMXLEHIJCAXIY-SDDRHHMPSA-N 0 3 296.371 -1.027 20 0 CAADHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)N1CCNC1=O ZINC000405234107 409511549 /nfs/dbraw/zinc/51/15/49/409511549.db2.gz COHLIKZZQUTFOR-VHSXEESVSA-N 0 3 268.317 -1.711 20 0 CAADHN CN1CCN(C(=O)CN2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000405301275 409511584 /nfs/dbraw/zinc/51/15/84/409511584.db2.gz IRISRSHLRXEVHG-QWHCGFSZSA-N 0 3 282.388 -1.489 20 0 CAADHN CN1CC[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1=O ZINC000654453914 409511780 /nfs/dbraw/zinc/51/17/80/409511780.db2.gz IAIWNZUMGHVPOE-HBNTYKKESA-N 0 3 282.344 -1.323 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000659727958 409570135 /nfs/dbraw/zinc/57/01/35/409570135.db2.gz MFAYWOVJEUUTJF-WOPDTQHZSA-N 0 3 297.355 -1.414 20 0 CAADHN COCCN(CCN(C)C)C(=O)Cn1nc(C)n(C)c1=O ZINC000654735006 409512395 /nfs/dbraw/zinc/51/23/95/409512395.db2.gz OKCDGRLPXUQKCG-UHFFFAOYSA-N 0 3 299.375 -1.073 20 0 CAADHN O[C@H](CN1CCOCC1)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405381928 409512691 /nfs/dbraw/zinc/51/26/91/409512691.db2.gz JKWSXRQNDRMSGA-BFHYXJOUSA-N 0 3 285.388 -1.570 20 0 CAADHN Cc1nn(CC(=O)N(C)CCN(C)C)c(=O)n1C ZINC000654853017 409513063 /nfs/dbraw/zinc/51/30/63/409513063.db2.gz FIGZNZVSEBOPHD-UHFFFAOYSA-N 0 3 255.322 -1.090 20 0 CAADHN Cc1nn(CC(=O)NC[C@@]2(O)CCN(C)C2)c(=O)n1C ZINC000655000408 409513751 /nfs/dbraw/zinc/51/37/51/409513751.db2.gz IMARNUIUIVGNLI-LBPRGKRZSA-N 0 3 283.332 -1.927 20 0 CAADHN CCN(CCO)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC000655003623 409514002 /nfs/dbraw/zinc/51/40/02/409514002.db2.gz JUDIIJJAPYEVEI-UHFFFAOYSA-N 0 3 285.348 -1.679 20 0 CAADHN CCN(CCO)CCNC(=O)C[C@H](C)NC(N)=O ZINC000655003610 409514347 /nfs/dbraw/zinc/51/43/47/409514347.db2.gz IUURMCRCYVRCQN-VIFPVBQESA-N 0 3 260.338 -1.136 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@]2(O)CCSC2)C[C@@H]1O ZINC000655095966 409515862 /nfs/dbraw/zinc/51/58/62/409515862.db2.gz CCUDMCJRDRPKEB-ATZCPNFKSA-N 0 3 260.359 -1.012 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@@H]1O ZINC000655094738 409515955 /nfs/dbraw/zinc/51/59/55/409515955.db2.gz WEABXAXAIIQAFI-QWRGUYRKSA-N 0 3 269.345 -1.012 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2CCCC[C@H](O)C2=O)C[C@@H]1O ZINC000655096230 409516102 /nfs/dbraw/zinc/51/61/02/409516102.db2.gz PKCIMXZDBBAMJN-SRVKXCTJSA-N 0 3 299.371 -1.507 20 0 CAADHN C[C@@H](CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)NC(N)=O ZINC000655096280 409516223 /nfs/dbraw/zinc/51/62/23/409516223.db2.gz UXXYSKOKYMOYMP-CIUDSAMLSA-N 0 3 258.322 -1.433 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@@H]1O ZINC000655096265 409516965 /nfs/dbraw/zinc/51/69/65/409516965.db2.gz SRRYHUQVEQZRPY-LPEHRKFASA-N 0 3 291.373 -1.846 20 0 CAADHN C[C@H](NC(=O)[C@H]1CCCC(=O)N1)C(=O)NCCN(C)C ZINC000655081147 409517139 /nfs/dbraw/zinc/51/71/39/409517139.db2.gz VBZUENXKWHCRFH-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000655095979 409517158 /nfs/dbraw/zinc/51/71/58/409517158.db2.gz FTGIRULTBIBVAV-SRVKXCTJSA-N 0 3 285.344 -1.633 20 0 CAADHN CC(=O)N1CC(OCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000655096166 409517246 /nfs/dbraw/zinc/51/72/46/409517246.db2.gz HMCXKIZAOJVQMW-RYUDHWBXSA-N 0 3 285.344 -1.633 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N(C)C[C@@H]1COCCO1 ZINC000658449941 409517317 /nfs/dbraw/zinc/51/73/17/409517317.db2.gz LCXPZCCVUHLRIK-LLVKDONJSA-N 0 3 287.360 -1.120 20 0 CAADHN CC(CO)(CO)NC(=O)N[C@H](CN)C(F)(F)F ZINC000655923111 409518808 /nfs/dbraw/zinc/51/88/08/409518808.db2.gz UJEKBXVKMGVSCW-RXMQYKEDSA-N 0 3 259.228 -1.082 20 0 CAADHN C[C@@H](CC(=O)N1CCN(CCN(C)C)C(=O)C1)NC(N)=O ZINC000655163064 409518851 /nfs/dbraw/zinc/51/88/51/409518851.db2.gz DNMWSJNNXVUDCI-JTQLQIEISA-N 0 3 299.375 -1.334 20 0 CAADHN CS(=O)(=O)NCCNC(=O)N[C@@H](CN)C(F)(F)F ZINC000655911348 409518914 /nfs/dbraw/zinc/51/89/14/409518914.db2.gz DNPDYNDXQNDFCC-YFKPBYRVSA-N 0 3 292.283 -1.276 20 0 CAADHN NC[C@@H](NC(=O)NCCn1ncnn1)C(F)(F)F ZINC000655922050 409519363 /nfs/dbraw/zinc/51/93/63/409519363.db2.gz RRXWOQBUEPPMQW-RXMQYKEDSA-N 0 3 267.215 -1.138 20 0 CAADHN NC[C@@H](NC(=O)NCCN1C(=O)CNC1=O)C(F)(F)F ZINC000655913721 409519375 /nfs/dbraw/zinc/51/93/75/409519375.db2.gz BQXRLDUXQJOFDG-RXMQYKEDSA-N 0 3 297.237 -1.273 20 0 CAADHN C[C@@H](CNC(=O)N[C@@H](CN)C(F)(F)F)S(N)(=O)=O ZINC000655920837 409519386 /nfs/dbraw/zinc/51/93/86/409519386.db2.gz JGLVYVPLGOECOL-WHFBIAKZSA-N 0 3 292.283 -1.148 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655930814 409519438 /nfs/dbraw/zinc/51/94/38/409519438.db2.gz CJSWWSCASDAMCD-PBXRRBTRSA-N 0 3 259.228 -1.083 20 0 CAADHN NC[C@H](NC(=O)N(CCO)CCO)C(F)(F)F ZINC000655922711 409519473 /nfs/dbraw/zinc/51/94/73/409519473.db2.gz SFNTVTGSRVCMMX-LURJTMIESA-N 0 3 259.228 -1.128 20 0 CAADHN CN(C[C@H](O)CO)C(=O)N[C@@H](CN)C(F)(F)F ZINC000655925146 409519673 /nfs/dbraw/zinc/51/96/73/409519673.db2.gz XLASMGMUXRRAJK-WDSKDSINSA-N 0 3 259.228 -1.129 20 0 CAADHN CO[C@@](C)(CO)CNCc1cn(C)c(=O)n(C)c1=O ZINC000655808791 409519710 /nfs/dbraw/zinc/51/97/10/409519710.db2.gz IYSIYUZDOSVMRY-GFCCVEGCSA-N 0 3 271.317 -1.429 20 0 CAADHN C[C@H](CNC(=O)N[C@@H](CN)C(F)(F)F)S(N)(=O)=O ZINC000655920835 409519728 /nfs/dbraw/zinc/51/97/28/409519728.db2.gz JGLVYVPLGOECOL-UHNVWZDZSA-N 0 3 292.283 -1.148 20 0 CAADHN COCCNC(=O)CNC(=O)N[C@H](CN)C(F)(F)F ZINC000655914349 409519957 /nfs/dbraw/zinc/51/99/57/409519957.db2.gz XTGOUNWVCQMUAR-ZCFIWIBFSA-N 0 3 286.254 -1.062 20 0 CAADHN NC[C@H](NC(=O)N[C@@H]1CCC(=O)NC1=O)C(F)(F)F ZINC000655921244 409520042 /nfs/dbraw/zinc/52/00/42/409520042.db2.gz KLXIAVAUPGOEND-UHNVWZDZSA-N 0 3 282.222 -1.020 20 0 CAADHN Cn1nnc(CNC(=O)N[C@H](CN)C(F)(F)F)n1 ZINC000655925984 409520052 /nfs/dbraw/zinc/52/00/52/409520052.db2.gz BTNZKGFQDHKUBU-SCSAIBSYSA-N 0 3 267.215 -1.101 20 0 CAADHN NC[C@H](NC(=O)N[C@@H]1COC[C@H]1O)C(F)(F)F ZINC000655932688 409520182 /nfs/dbraw/zinc/52/01/82/409520182.db2.gz ZNWYJZXMTXKVMJ-PBXRRBTRSA-N 0 3 257.212 -1.065 20 0 CAADHN NC[C@H](NC(=O)NCCn1ncnn1)C(F)(F)F ZINC000655922055 409520190 /nfs/dbraw/zinc/52/01/90/409520190.db2.gz RRXWOQBUEPPMQW-YFKPBYRVSA-N 0 3 267.215 -1.138 20 0 CAADHN NC[C@@H](NC(=O)N1CCO[C@H](C(N)=O)C1)C(F)(F)F ZINC000655912665 409520212 /nfs/dbraw/zinc/52/02/12/409520212.db2.gz AZZBDBFFXVUKSW-NTSWFWBYSA-N 0 3 284.238 -1.228 20 0 CAADHN O=C(NC[C@H]1CNCCO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655969342 409521501 /nfs/dbraw/zinc/52/15/01/409521501.db2.gz HNFXDDRTTPJMNU-QJPTWQEYSA-N 0 3 284.360 -1.565 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655969343 409523312 /nfs/dbraw/zinc/52/33/12/409523312.db2.gz HNFXDDRTTPJMNU-TUAOUCFPSA-N 0 3 284.360 -1.565 20 0 CAADHN CN(CCN)C(=O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000659731427 409568613 /nfs/dbraw/zinc/56/86/13/409568613.db2.gz DOFDODXBRSVINH-SSDOTTSWSA-N 0 3 265.260 -1.056 20 0 CAADHN CNC(=O)NC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405444268 409524377 /nfs/dbraw/zinc/52/43/77/409524377.db2.gz WGGVHNQEZKYSEH-DTWKUNHWSA-N 0 3 256.306 -1.807 20 0 CAADHN NC[C@@H](NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656025122 409524572 /nfs/dbraw/zinc/52/45/72/409524572.db2.gz YZLCHRXBHFDXBV-QJPTWQEYSA-N 0 3 296.371 -1.883 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656023253 409524978 /nfs/dbraw/zinc/52/49/78/409524978.db2.gz ZSPMNNOOMFDJER-VHSXEESVSA-N 0 3 268.317 -2.648 20 0 CAADHN NC[C@H](NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1)C1CC1 ZINC000656025123 409525050 /nfs/dbraw/zinc/52/50/50/409525050.db2.gz YZLCHRXBHFDXBV-TUAOUCFPSA-N 0 3 296.371 -1.883 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000656027471 409525372 /nfs/dbraw/zinc/52/53/72/409525372.db2.gz ZAVPDMKAQVFJJT-QMMMGPOBSA-N 0 3 297.363 -1.150 20 0 CAADHN CC[C@H](C(N)=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001273703147 782012496 /nfs/dbraw/zinc/01/24/96/782012496.db2.gz DDLPRGBEXUZMKV-LLVKDONJSA-N 0 3 298.387 -1.275 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000659730072 409568850 /nfs/dbraw/zinc/56/88/50/409568850.db2.gz UWGKXZZNUNMQEG-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656105200 409529569 /nfs/dbraw/zinc/52/95/69/409529569.db2.gz ZENCYAXGFMRIIH-VHSXEESVSA-N 0 3 270.333 -2.319 20 0 CAADHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000659723758 409568917 /nfs/dbraw/zinc/56/89/17/409568917.db2.gz RELVWHYAZPGPAX-IUCAKERBSA-N 0 3 270.333 -1.375 20 0 CAADHN CC(=O)c1cn(C[C@@H]2CNCCO2)c(=O)n(C)c1=O ZINC000656611700 409536298 /nfs/dbraw/zinc/53/62/98/409536298.db2.gz NOABWBOSQIOEMV-VIFPVBQESA-N 0 3 267.285 -1.262 20 0 CAADHN CC[C@@H](N)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000130271528 409539081 /nfs/dbraw/zinc/53/90/81/409539081.db2.gz FXHFXARKWUXJGW-GFCCVEGCSA-N 0 3 298.387 -1.273 20 0 CAADHN CCN(C(=O)C(=O)N1CCNC(=O)C1)[C@H]1CCN(CC)C1 ZINC000658829345 409541066 /nfs/dbraw/zinc/54/10/66/409541066.db2.gz KFYLKVDKHZBZEF-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@H](O)CN1CCN(c2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000624119016 409541158 /nfs/dbraw/zinc/54/11/58/409541158.db2.gz UZCOHHIRLXBWBR-YUMQZZPRSA-N 0 3 267.337 -1.412 20 0 CAADHN C[C@H]1OCC[C@@H]1N(CCO)c1nc(N)nc(N)n1 ZINC000624179056 409542961 /nfs/dbraw/zinc/54/29/61/409542961.db2.gz KDRLJNKRQBBWPC-RQJHMYQMSA-N 0 3 254.294 -1.327 20 0 CAADHN Cc1ccc(CNc2nc(N)nc(N)n2)c(=O)n1C ZINC000624164406 409543722 /nfs/dbraw/zinc/54/37/22/409543722.db2.gz JSAKNGXTBIWXEN-UHFFFAOYSA-N 0 3 261.289 -1.262 20 0 CAADHN CC[C@H](C(N)=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001273703105 782012304 /nfs/dbraw/zinc/01/23/04/782012304.db2.gz CDVLTUNHHAUCFC-LLVKDONJSA-N 0 3 298.387 -1.275 20 0 CAADHN CCn1nccc1CN(CCO)c1nc(N)nc(N)n1 ZINC000624177564 409544616 /nfs/dbraw/zinc/54/46/16/409544616.db2.gz NWKPJXMYQRLPFH-UHFFFAOYSA-N 0 3 278.320 -1.088 20 0 CAADHN CNC(=O)[C@]1(C)CCN(c2nc(N)nc(N)n2)C1 ZINC000624180015 409544666 /nfs/dbraw/zinc/54/46/66/409544666.db2.gz UTTJALOPMLMJQI-SNVBAGLBSA-N 0 3 251.294 -1.341 20 0 CAADHN CC(=O)N1CCC[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000624176190 409544907 /nfs/dbraw/zinc/54/49/07/409544907.db2.gz FOVDOGAOJMIPIF-QMMMGPOBSA-N 0 3 265.321 -1.211 20 0 CAADHN COC[C@@H]1CN(c2nc(N)nc(N)n2)C[C@@H](C)O1 ZINC000624146040 409545855 /nfs/dbraw/zinc/54/58/55/409545855.db2.gz PEEDNKLCFDQFTH-RQJHMYQMSA-N 0 3 254.294 -1.063 20 0 CAADHN COC[C@H]1CN(c2nc(N)nc(N)n2)C[C@H](C)O1 ZINC000624146038 409546317 /nfs/dbraw/zinc/54/63/17/409546317.db2.gz PEEDNKLCFDQFTH-NKWVEPMBSA-N 0 3 254.294 -1.063 20 0 CAADHN Nc1nc(N)nc(NC2CCN(c3cccnn3)CC2)n1 ZINC000624157917 409546373 /nfs/dbraw/zinc/54/63/73/409546373.db2.gz FTFTYUGVTIMRSP-UHFFFAOYSA-N 0 3 287.331 -1.010 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)NC[C@H]1CCCC[NH2+]1 ZINC000130421032 409546632 /nfs/dbraw/zinc/54/66/32/409546632.db2.gz ZEZYKPHRUGOSTG-MRVPVSSYSA-N 0 3 254.290 -1.204 20 0 CAADHN NC(=O)[C@H]1[C@H]2CCC[C@H]2CN1c1nc(N)nc(N)n1 ZINC000624150054 409547027 /nfs/dbraw/zinc/54/70/27/409547027.db2.gz NHPQKTNHLPTAMI-LYFYHCNISA-N 0 3 263.305 -1.213 20 0 CAADHN CC(C)NS(=O)(=O)NCCNc1nc(N)nc(N)n1 ZINC000624158088 409547134 /nfs/dbraw/zinc/54/71/34/409547134.db2.gz OBCJVPIQLIINKP-UHFFFAOYSA-N 0 3 290.353 -2.637 20 0 CAADHN CC(=O)N1CCC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000624176189 409547198 /nfs/dbraw/zinc/54/71/98/409547198.db2.gz FOVDOGAOJMIPIF-MRVPVSSYSA-N 0 3 265.321 -1.211 20 0 CAADHN NC(=O)[C@H]1[C@@H]2CCC[C@H]2CN1c1nc(N)nc(N)n1 ZINC000624150055 409547319 /nfs/dbraw/zinc/54/73/19/409547319.db2.gz NHPQKTNHLPTAMI-RRKCRQDMSA-N 0 3 263.305 -1.213 20 0 CAADHN CC(C)OC[C@@H](CO)N(C)c1nc(N)nc(N)n1 ZINC000624158852 409547375 /nfs/dbraw/zinc/54/73/75/409547375.db2.gz MLONMXDATYDVRJ-SSDOTTSWSA-N 0 3 256.310 -1.081 20 0 CAADHN C[C@H]1OCC[C@H]1N(CCO)c1nc(N)nc(N)n1 ZINC000624179055 409547468 /nfs/dbraw/zinc/54/74/68/409547468.db2.gz KDRLJNKRQBBWPC-RNFRBKRXSA-N 0 3 254.294 -1.327 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)C1 ZINC000658778040 409549508 /nfs/dbraw/zinc/54/95/08/409549508.db2.gz LIYCVLJTTZOODT-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN O=C(Nc1ccc2c(c1)CCNC2=O)C(=O)NC1CNC1 ZINC000659078747 409553119 /nfs/dbraw/zinc/55/31/19/409553119.db2.gz QGCSUKOLBVAYLX-UHFFFAOYSA-N 0 3 288.307 -1.001 20 0 CAADHN COCCNCC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000659343361 409553151 /nfs/dbraw/zinc/55/31/51/409553151.db2.gz WJFQLYXAIYFAIM-BDAKNGLRSA-N 0 3 280.346 -1.849 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(C)(C)CN ZINC000659341784 409553565 /nfs/dbraw/zinc/55/35/65/409553565.db2.gz KZKWUMUWDUPKGP-HTQZYQBOSA-N 0 3 264.347 -1.101 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000659105764 409553656 /nfs/dbraw/zinc/55/36/56/409553656.db2.gz CPRNRFWVNLFKSZ-OUAUKWLOSA-N 0 3 294.355 -1.504 20 0 CAADHN Cc1nn(CC(=O)N2CC[C@@H](F)[C@H](N)C2)c(=O)n1C ZINC000659385704 409553800 /nfs/dbraw/zinc/55/38/00/409553800.db2.gz QROMEUJPOOLGQP-RKDXNWHRSA-N 0 3 271.296 -1.212 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659100784 409553994 /nfs/dbraw/zinc/55/39/94/409553994.db2.gz SOKUSWQZADBMJX-UHFFFAOYSA-N 0 3 268.317 -1.860 20 0 CAADHN CN(CC(=O)N1CC[C@@H](F)[C@H](N)C1)S(C)(=O)=O ZINC000659388852 409554069 /nfs/dbraw/zinc/55/40/69/409554069.db2.gz FONZSAXIINABEM-HTQZYQBOSA-N 0 3 267.326 -1.225 20 0 CAADHN COCCNCC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000659343362 409554178 /nfs/dbraw/zinc/55/41/78/409554178.db2.gz WJFQLYXAIYFAIM-DTWKUNHWSA-N 0 3 280.346 -1.849 20 0 CAADHN O=C(NC[C@@H]1C[C@H](F)CN1)C1(n2cnnn2)CC1 ZINC000659315055 409554371 /nfs/dbraw/zinc/55/43/71/409554371.db2.gz VSORGNJHTADCBB-YUMQZZPRSA-N 0 3 254.269 -1.022 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNC1CC1 ZINC000659342386 409554974 /nfs/dbraw/zinc/55/49/74/409554974.db2.gz ORRCRIIDXYQYDG-DTWKUNHWSA-N 0 3 262.331 -1.333 20 0 CAADHN Cn1cc(C(=O)N[C@]2(C)CC[NH2+]C2)c(=O)[n-]c1=O ZINC000663011936 409618885 /nfs/dbraw/zinc/61/88/85/409618885.db2.gz RHSLHDJASQZAMC-LLVKDONJSA-N 0 3 252.274 -1.032 20 0 CAADHN O=C(CN1CCCC1=O)N1CCOC2(CNC2)C1 ZINC000663492740 409620759 /nfs/dbraw/zinc/62/07/59/409620759.db2.gz XENCQWQXCAFSDD-UHFFFAOYSA-N 0 3 253.302 -1.190 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CCOC3(CNC3)C2)C1 ZINC000663217539 409621988 /nfs/dbraw/zinc/62/19/88/409621988.db2.gz MMOSYMQZSLRILR-LLVKDONJSA-N 0 3 269.345 -1.092 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N2CCOC3(CNC3)C2)c1=O ZINC000663487148 409622115 /nfs/dbraw/zinc/62/21/15/409622115.db2.gz YRBCMSBRNITPPW-UHFFFAOYSA-N 0 3 294.311 -2.252 20 0 CAADHN COCC(=O)N(C)CC(=O)N1CCOC2(CNC2)C1 ZINC000663217282 409622246 /nfs/dbraw/zinc/62/22/46/409622246.db2.gz HKCWJELZCGJPDT-UHFFFAOYSA-N 0 3 271.317 -1.708 20 0 CAADHN Cc1nn(CC(=O)N2CCOC3(CNC3)C2)c(=O)n1C ZINC000663491671 409622902 /nfs/dbraw/zinc/62/29/02/409622902.db2.gz IIBZNCQSWWPQHJ-UHFFFAOYSA-N 0 3 281.316 -1.909 20 0 CAADHN COC[C@@](C)(N)CNc1cc(=O)n(C)c(=O)n1C ZINC000663607816 409622979 /nfs/dbraw/zinc/62/29/79/409622979.db2.gz AGJZETOXTUIAQU-NSHDSACASA-N 0 3 256.306 -1.140 20 0 CAADHN C[C@@H](NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)C(=O)N(C)C ZINC000663690294 409624442 /nfs/dbraw/zinc/62/44/42/409624442.db2.gz VOIDCLQPVFEXDX-UTLUCORTSA-N 0 3 272.349 -1.221 20 0 CAADHN CCn1nccc1CNC(=O)C(=O)NCCNCCOC ZINC000663654799 409625143 /nfs/dbraw/zinc/62/51/43/409625143.db2.gz PHUOZYYEXRVMSR-UHFFFAOYSA-N 0 3 297.359 -1.129 20 0 CAADHN O=C(CN1CCOCC1)N1CCOC2(CNC2)C1 ZINC000664725437 409628111 /nfs/dbraw/zinc/62/81/11/409628111.db2.gz ARSVGNXOAQBSFW-UHFFFAOYSA-N 0 3 255.318 -1.481 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CCN(C)C2=O)C[C@@H]1O ZINC000664193663 409628300 /nfs/dbraw/zinc/62/83/00/409628300.db2.gz WRYGYHLFKASIOZ-GUBZILKMSA-N 0 3 270.333 -1.467 20 0 CAADHN CCN1CCN(CC(=O)N2CCOC3(CNC3)C2)CC1 ZINC000664723610 409628898 /nfs/dbraw/zinc/62/88/98/409628898.db2.gz BTUBEJXJNJNOBH-UHFFFAOYSA-N 0 3 282.388 -1.175 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC[C@H]2CN(C)CCO2)C[C@@H]1O ZINC000664002229 409628990 /nfs/dbraw/zinc/62/89/90/409628990.db2.gz HQLAPYHXXVNVLI-SRVKXCTJSA-N 0 3 286.376 -1.367 20 0 CAADHN CCN(C)C(=O)CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664707938 409629199 /nfs/dbraw/zinc/62/91/99/409629199.db2.gz INDBIITYTIENJG-UWVGGRQHSA-N 0 3 272.349 -1.219 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC000664313231 409629337 /nfs/dbraw/zinc/62/93/37/409629337.db2.gz KXXUOIIFQICLDI-DCAQKATOSA-N 0 3 284.360 -1.077 20 0 CAADHN CN1C[C@@H](C(=O)N2CCOC3(CNC3)C2)NC1=O ZINC000664727466 409630296 /nfs/dbraw/zinc/63/02/96/409630296.db2.gz JSLFIIYCUSBWGL-QMMMGPOBSA-N 0 3 254.290 -1.789 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC[C@@H]2CCCC(=O)N2)C[C@@H]1O ZINC000664778442 409631537 /nfs/dbraw/zinc/63/15/37/409631537.db2.gz HTFXARQOOZJMAZ-DCAQKATOSA-N 0 3 284.360 -1.029 20 0 CAADHN CO[C@@H]1CN(CC(O)CN2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664777974 409632954 /nfs/dbraw/zinc/63/29/54/409632954.db2.gz JWVOPOQPFQVBFX-FDYHWXHSSA-N 0 3 290.360 -2.270 20 0 CAADHN C[C@@H](CNC(=O)NCCOCCN(C)C)S(N)(=O)=O ZINC000664732544 409633450 /nfs/dbraw/zinc/63/34/50/409633450.db2.gz XKHZCJNXDDMMAK-VIFPVBQESA-N 0 3 296.393 -1.459 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC[C@H]2CCCNC2=O)C[C@@H]1O ZINC000665120600 409635326 /nfs/dbraw/zinc/63/53/26/409635326.db2.gz HHCAERQNWQGLJK-VWYCJHECSA-N 0 3 284.360 -1.171 20 0 CAADHN CN(C)C(=O)Cn1ccc(NC(=O)COC2CNC2)n1 ZINC000430242959 409636093 /nfs/dbraw/zinc/63/60/93/409636093.db2.gz KATNNRNYTYTSDY-UHFFFAOYSA-N 0 3 281.316 -1.102 20 0 CAADHN CN(C)CCN(C)C(=O)NCCOCCS(N)(=O)=O ZINC000665102658 409636496 /nfs/dbraw/zinc/63/64/96/409636496.db2.gz UPNSSURGYFXHQJ-UHFFFAOYSA-N 0 3 296.393 -1.506 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N(C)C1CCN(C)CC1 ZINC000665073569 409636617 /nfs/dbraw/zinc/63/66/17/409636617.db2.gz UMLCFOGPFLAOSG-UHFFFAOYSA-N 0 3 292.405 -1.065 20 0 CAADHN Cn1ccc(NCCNC(=O)[C@H]2CN3CCN2CCC3)n1 ZINC000649223931 409636642 /nfs/dbraw/zinc/63/66/42/409636642.db2.gz DIGHMRHLYPVLCW-GFCCVEGCSA-N 0 3 292.387 -0.662 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000659730068 409570604 /nfs/dbraw/zinc/57/06/04/409570604.db2.gz UWGKXZZNUNMQEG-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN CNC(=O)CCN(C)CCN1C(=O)CN(C)C1=O ZINC000659873356 409571831 /nfs/dbraw/zinc/57/18/31/409571831.db2.gz NDRYTRCHPSRCHB-UHFFFAOYSA-N 0 3 256.306 -1.052 20 0 CAADHN COCC1(NCC(=O)N2CCNC(=O)C2)CCOCC1 ZINC000660632407 409575762 /nfs/dbraw/zinc/57/57/62/409575762.db2.gz XSAPNSUMAGAUSV-UHFFFAOYSA-N 0 3 285.344 -1.270 20 0 CAADHN CN(CCOCCO)CCN1C(=O)CN(C)C1=O ZINC000660486896 409576090 /nfs/dbraw/zinc/57/60/90/409576090.db2.gz UPOMLCLKFKIZEZ-UHFFFAOYSA-N 0 3 259.306 -1.179 20 0 CAADHN CC(C)[N@H+](C)C[C@H](O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000660146200 409576470 /nfs/dbraw/zinc/57/64/70/409576470.db2.gz DVAGTHPAKSGGBU-QWRGUYRKSA-N 0 3 284.360 -1.077 20 0 CAADHN CC(C)[N@@H+](C)C[C@H](O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000660146200 409576481 /nfs/dbraw/zinc/57/64/81/409576481.db2.gz DVAGTHPAKSGGBU-QWRGUYRKSA-N 0 3 284.360 -1.077 20 0 CAADHN O[C@@H]1COCCN(C/C=C\CN2CCOC[C@@H](O)C2)C1 ZINC000660668037 409576611 /nfs/dbraw/zinc/57/66/11/409576611.db2.gz BVHUNMXFYIXEMV-GFCAHOMWSA-N 0 3 286.372 -1.071 20 0 CAADHN CNS(=O)(=O)NC1CCN(CCc2c[nH]nn2)CC1 ZINC000660450032 409577644 /nfs/dbraw/zinc/57/76/44/409577644.db2.gz ONDCRMFTYCQREV-UHFFFAOYSA-N 0 3 288.377 -1.135 20 0 CAADHN CC(C)[N@H+](C)C[C@@H](O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000660146198 409578937 /nfs/dbraw/zinc/57/89/37/409578937.db2.gz DVAGTHPAKSGGBU-MNOVXSKESA-N 0 3 284.360 -1.077 20 0 CAADHN CC(C)[N@@H+](C)C[C@@H](O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000660146198 409578941 /nfs/dbraw/zinc/57/89/41/409578941.db2.gz DVAGTHPAKSGGBU-MNOVXSKESA-N 0 3 284.360 -1.077 20 0 CAADHN CC(C)[N@H+](C)C[C@@H](O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000660146195 409579030 /nfs/dbraw/zinc/57/90/30/409579030.db2.gz DVAGTHPAKSGGBU-GHMZBOCLSA-N 0 3 284.360 -1.077 20 0 CAADHN CC(C)[N@@H+](C)C[C@@H](O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000660146195 409579032 /nfs/dbraw/zinc/57/90/32/409579032.db2.gz DVAGTHPAKSGGBU-GHMZBOCLSA-N 0 3 284.360 -1.077 20 0 CAADHN CC(C)[N@H+](C)C[C@H](O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000660146202 409579227 /nfs/dbraw/zinc/57/92/27/409579227.db2.gz DVAGTHPAKSGGBU-WDEREUQCSA-N 0 3 284.360 -1.077 20 0 CAADHN CC(C)[N@@H+](C)C[C@H](O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000660146202 409579231 /nfs/dbraw/zinc/57/92/31/409579231.db2.gz DVAGTHPAKSGGBU-WDEREUQCSA-N 0 3 284.360 -1.077 20 0 CAADHN C[C@H]1CCNC(=O)[C@@H]1NCCN1C(=O)CN(C)C1=O ZINC000660478051 409579263 /nfs/dbraw/zinc/57/92/63/409579263.db2.gz MBTXKYWYBPOVMM-WCBMZHEXSA-N 0 3 268.317 -1.005 20 0 CAADHN CO[C@@H]1CN(C/C=C/CN2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000660735922 409581037 /nfs/dbraw/zinc/58/10/37/409581037.db2.gz MZOVDCXGKUATRG-DNLLBMQLSA-N 0 3 286.372 -1.074 20 0 CAADHN O=C(CN[C@@H]1C[C@@H](O)C12CCC2)N1CCNC(=O)C1 ZINC000661836350 409585275 /nfs/dbraw/zinc/58/52/75/409585275.db2.gz FBGQWCHRNIFESC-NXEZZACHSA-N 0 3 267.329 -1.162 20 0 CAADHN COCC(=O)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662248777 409585475 /nfs/dbraw/zinc/58/54/75/409585475.db2.gz JGMMWJRGNWESEW-NSHDSACASA-N 0 3 257.334 -1.235 20 0 CAADHN CC(C)NC(=O)C(=O)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000662249350 409585620 /nfs/dbraw/zinc/58/56/20/409585620.db2.gz UANPJXQDGWSDDC-GFCCVEGCSA-N 0 3 298.387 -1.356 20 0 CAADHN NS(=O)(=O)C[C@@H]1CCCN1C[C@@H]1CNCCO1 ZINC000662277918 409586036 /nfs/dbraw/zinc/58/60/36/409586036.db2.gz VHKKHRLXIAUEOC-UWVGGRQHSA-N 0 3 263.363 -1.272 20 0 CAADHN CN(CCN1CCCS1(=O)=O)C[C@@H]1CNCCO1 ZINC000662286602 409586197 /nfs/dbraw/zinc/58/61/97/409586197.db2.gz RMNZKFBVMYYTBG-NSHDSACASA-N 0 3 277.390 -1.058 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN1C[C@@H]1CNCCO1 ZINC000662259296 409586282 /nfs/dbraw/zinc/58/62/82/409586282.db2.gz UPWRHOFYBDTZDA-QWRGUYRKSA-N 0 3 277.390 -1.012 20 0 CAADHN COCCN1CCN(C[C@H]2CNCCO2)CC1=O ZINC000662279277 409586370 /nfs/dbraw/zinc/58/63/70/409586370.db2.gz IMWBPZBDVYZDCY-LLVKDONJSA-N 0 3 257.334 -1.235 20 0 CAADHN CN(CC(=O)N1CCNCC1)C[C@@H]1CCC2(CNC2)O1 ZINC000662243508 409586645 /nfs/dbraw/zinc/58/66/45/409586645.db2.gz MDWMSXCUKGYZII-LBPRGKRZSA-N 0 3 282.388 -1.129 20 0 CAADHN CN(C)S(=O)(=O)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662248558 409586676 /nfs/dbraw/zinc/58/66/76/409586676.db2.gz FVBKVZCQIVZARF-NSHDSACASA-N 0 3 292.405 -1.601 20 0 CAADHN CNC(=O)[C@H]1CN(C[C@H]2CCC3(CNC3)O2)CCO1 ZINC000662281631 409586740 /nfs/dbraw/zinc/58/67/40/409586740.db2.gz YXLWCJNDURODDL-GHMZBOCLSA-N 0 3 269.345 -1.046 20 0 CAADHN Cn1cnnc1N1CCN(C[C@H]2CNCCO2)CC1 ZINC000662283351 409587618 /nfs/dbraw/zinc/58/76/18/409587618.db2.gz IJLGQCPJPWFWTK-LLVKDONJSA-N 0 3 266.349 -1.075 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000662250819 409588207 /nfs/dbraw/zinc/58/82/07/409588207.db2.gz OYABHNLAMDSABZ-GHMZBOCLSA-N 0 3 277.390 -1.012 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@@H]3CNCCO3)C[C@H]21 ZINC000662309933 409589291 /nfs/dbraw/zinc/58/92/91/409589291.db2.gz AXFPBGHEOPJDDL-YFKTTZPYSA-N 0 3 290.385 -1.281 20 0 CAADHN C[C@@H]1CN(C[C@@H]2CNCCO2)CCN1S(C)(=O)=O ZINC000662311803 409590747 /nfs/dbraw/zinc/59/07/47/409590747.db2.gz VSOUMGXRTOMZFY-MNOVXSKESA-N 0 3 277.390 -1.060 20 0 CAADHN C[C@H](NC(=O)CN1CC[C@@H](F)[C@H](N)C1)C(=O)N(C)C ZINC000662321956 409591286 /nfs/dbraw/zinc/59/12/86/409591286.db2.gz JKDXTZIDSIZNLR-IVZWLZJFSA-N 0 3 274.340 -1.050 20 0 CAADHN CN(CC(=O)N1CCNC(=O)C1)[C@H](CN)C(F)(F)F ZINC000662331795 409591960 /nfs/dbraw/zinc/59/19/60/409591960.db2.gz SVCXERHYLAPOBH-SSDOTTSWSA-N 0 3 282.266 -1.234 20 0 CAADHN C[C@@H](CN(CCN)C[C@H](O)CO)CS(C)(=O)=O ZINC000662289790 409591982 /nfs/dbraw/zinc/59/19/82/409591982.db2.gz WBWOEQWZRTYDQA-UWVGGRQHSA-N 0 3 268.379 -1.719 20 0 CAADHN CC[C@@H](NC)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC ZINC000662443340 409593037 /nfs/dbraw/zinc/59/30/37/409593037.db2.gz JUTNGLJQUPUJHR-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN COC[C@H](OC)C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000662425411 409594054 /nfs/dbraw/zinc/59/40/54/409594054.db2.gz AQVPBPPNGUJRIH-QMMMGPOBSA-N 0 3 284.320 -1.186 20 0 CAADHN CC[C@H](NC)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC ZINC000662443339 409594363 /nfs/dbraw/zinc/59/43/63/409594363.db2.gz JUTNGLJQUPUJHR-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)C1(O)CNC1 ZINC000662401376 409594892 /nfs/dbraw/zinc/59/48/92/409594892.db2.gz SVAWMEGZNPERKU-UHFFFAOYSA-N 0 3 256.306 -2.789 20 0 CAADHN CC(C)NCC(=O)NCCN1CCS(=O)(=O)CC1 ZINC000662526697 409599786 /nfs/dbraw/zinc/59/97/86/409599786.db2.gz ITIIZQYEQPOWKR-UHFFFAOYSA-N 0 3 277.390 -1.169 20 0 CAADHN CC[C@H](N)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000662637356 409600882 /nfs/dbraw/zinc/60/08/82/409600882.db2.gz DIJZVTYVUHDITP-RNJXMRFFSA-N 0 3 250.320 -1.348 20 0 CAADHN CC[C@@H](N)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000662637354 409601768 /nfs/dbraw/zinc/60/17/68/409601768.db2.gz DIJZVTYVUHDITP-GJMOJQLCSA-N 0 3 250.320 -1.348 20 0 CAADHN CC[C@H](N)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000662637353 409601848 /nfs/dbraw/zinc/60/18/48/409601848.db2.gz DIJZVTYVUHDITP-FXQIFTODSA-N 0 3 250.320 -1.348 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C1(N)CCC1 ZINC000662638978 409602169 /nfs/dbraw/zinc/60/21/69/409602169.db2.gz FCIDWLKNHJNHSV-HTQZYQBOSA-N 0 3 262.331 -1.204 20 0 CAADHN CN[C@@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000662641569 409602214 /nfs/dbraw/zinc/60/22/14/409602214.db2.gz YYHIAVUHVCROQI-XLPZGREQSA-N 0 3 250.320 -1.478 20 0 CAADHN CC(C)CN1CCO[C@H](CNC(=O)C2(O)CNC2)C1 ZINC000662668298 409602900 /nfs/dbraw/zinc/60/29/00/409602900.db2.gz KEIPQWHZAKLGSE-LLVKDONJSA-N 0 3 271.361 -1.206 20 0 CAADHN CN[C@@H](C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000662641563 409603972 /nfs/dbraw/zinc/60/39/72/409603972.db2.gz YYHIAVUHVCROQI-BIIVOSGPSA-N 0 3 250.320 -1.478 20 0 CAADHN [NH3+]C1(CNC(=O)CN2CC(=O)[N-]C2=O)CCCC1 ZINC000662651004 409604124 /nfs/dbraw/zinc/60/41/24/409604124.db2.gz MSKBDCJRKOTGDZ-UHFFFAOYSA-N 0 3 254.290 -1.074 20 0 CAADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cn(CC[NH3+])nn1 ZINC000662789405 409606151 /nfs/dbraw/zinc/60/61/51/409606151.db2.gz AZPYPISLVBKPMG-UHFFFAOYSA-N 0 3 279.260 -1.001 20 0 CAADHN CN(CCCN1CCN(C)CC1)C(=O)C1(O)CNC1 ZINC000662792081 409606744 /nfs/dbraw/zinc/60/67/44/409606744.db2.gz YUXYXFUVFLULIW-UHFFFAOYSA-N 0 3 270.377 -1.583 20 0 CAADHN CCN1CCN(CCCCNC(=O)C2(O)CNC2)CC1 ZINC000662757798 409607813 /nfs/dbraw/zinc/60/78/13/409607813.db2.gz NVBBAAKARFLQPP-UHFFFAOYSA-N 0 3 284.404 -1.145 20 0 CAADHN CN(C)CCOCCNc1nccn2nnnc12 ZINC000546598076 409640778 /nfs/dbraw/zinc/64/07/78/409640778.db2.gz LDDIUZRGECLACL-UHFFFAOYSA-N 0 3 251.294 -0.491 20 0 CAADHN Cn1ccnc1N1CCC(NC(=O)C2(O)CNC2)CC1 ZINC000662810422 409610455 /nfs/dbraw/zinc/61/04/55/409610455.db2.gz RGAYMVDQEBRURI-UHFFFAOYSA-N 0 3 279.344 -1.161 20 0 CAADHN O=C(NC[C@H]1CNCCO1)c1ccn2nnnc2c1 ZINC000662817087 409610919 /nfs/dbraw/zinc/61/09/19/409610919.db2.gz ZZBGRLISZDWSKT-SECBINFHSA-N 0 3 262.273 -1.158 20 0 CAADHN Cn1cc([C@@H]2CN(C(=O)[C@H]3CN(C)C(=O)N3)C[C@H]2N)cn1 ZINC000662820536 409611452 /nfs/dbraw/zinc/61/14/52/409611452.db2.gz UNJKTGHDOJJQSU-HBNTYKKESA-N 0 3 292.343 -1.303 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)[C@H](CN)C1 ZINC000662979762 409614776 /nfs/dbraw/zinc/61/47/76/409614776.db2.gz BXMSXNOIRJCEHD-NOOOWODRSA-N 0 3 299.371 -1.616 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)[C@H](CN)C1 ZINC000662979767 409614818 /nfs/dbraw/zinc/61/48/18/409614818.db2.gz BXMSXNOIRJCEHD-WYUUTHIRSA-N 0 3 299.371 -1.616 20 0 CAADHN C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CCO1 ZINC000662946288 409614920 /nfs/dbraw/zinc/61/49/20/409614920.db2.gz QLPZODJSZLXOPV-MMIJRFEOSA-N 0 3 297.355 -1.456 20 0 CAADHN C[NH2+]C[C@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000662961727 409615048 /nfs/dbraw/zinc/61/50/48/409615048.db2.gz CFKKTUZHDPUVKH-QMMMGPOBSA-N 0 3 289.361 -1.578 20 0 CAADHN C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CCO1 ZINC000662946287 409615057 /nfs/dbraw/zinc/61/50/57/409615057.db2.gz QLPZODJSZLXOPV-ICYKSAPQSA-N 0 3 297.355 -1.456 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C(=O)C2)[C@H](CN)C1 ZINC000662981156 409615281 /nfs/dbraw/zinc/61/52/81/409615281.db2.gz MTPKMCSMZMGNPG-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN C[NH2+]C[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000662961524 409615292 /nfs/dbraw/zinc/61/52/92/409615292.db2.gz CFKKTUZHDPUVKH-MRVPVSSYSA-N 0 3 289.361 -1.578 20 0 CAADHN CN(C[C@H]1COCCO1)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662974529 409615674 /nfs/dbraw/zinc/61/56/74/409615674.db2.gz LAGLWVZBWVYKRV-CVZZAPKMSA-N 0 3 297.355 -1.190 20 0 CAADHN CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCCNCC1 ZINC000662952878 409615688 /nfs/dbraw/zinc/61/56/88/409615688.db2.gz HOTHRCKCQXJWDB-NSHDSACASA-N 0 3 285.344 -1.318 20 0 CAADHN C[C@@H](O)CN(C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662976646 409615694 /nfs/dbraw/zinc/61/56/94/409615694.db2.gz OZVWOYUDXSIEPA-YDNLMGDJSA-N 0 3 255.318 -1.225 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@H](C)C2)[C@H](CN)C1 ZINC000662983608 409615763 /nfs/dbraw/zinc/61/57/63/409615763.db2.gz DQZOYCSVSLDMQC-MXWKQRLJSA-N 0 3 296.371 -1.081 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000662976290 409615796 /nfs/dbraw/zinc/61/57/96/409615796.db2.gz FIRWQJCVFATDGU-UHFFFAOYSA-N 0 3 266.345 -1.290 20 0 CAADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000662948929 409615799 /nfs/dbraw/zinc/61/57/99/409615799.db2.gz PWWSWSVBVQQVBM-GHMZBOCLSA-N 0 3 285.344 -1.190 20 0 CAADHN CCN(C)CCNC(=O)C(=O)Nc1ccn(C)n1 ZINC000347898714 409692632 /nfs/dbraw/zinc/69/26/32/409692632.db2.gz ADKQMZSHARYOFU-UHFFFAOYSA-N 0 3 253.306 -0.574 20 0 CAADHN COC[C@@H](CO)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000353053272 409695542 /nfs/dbraw/zinc/69/55/42/409695542.db2.gz STJPMTXUDOOXFP-SNVBAGLBSA-N 0 3 285.348 -0.427 20 0 CAADHN COC[C@H](O)CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000338423938 409701986 /nfs/dbraw/zinc/70/19/86/409701986.db2.gz UIXOMTMZWLATRP-SNVBAGLBSA-N 0 3 285.348 -0.427 20 0 CAADHN CN(C)C(=O)Cn1ccc(NC(=O)[C@@H]2C[C@@H]2N)n1 ZINC000424111365 409642265 /nfs/dbraw/zinc/64/22/65/409642265.db2.gz GHMPUEQNGUNQGU-SFYZADRCSA-N 0 3 251.290 -0.743 20 0 CAADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ncn(C)n1 ZINC000332092157 409642702 /nfs/dbraw/zinc/64/27/02/409642702.db2.gz BSXYLLQLYCNEBZ-NXEZZACHSA-N 0 3 292.343 -0.551 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)C[C@@H]1O ZINC000665224156 409642861 /nfs/dbraw/zinc/64/28/61/409642861.db2.gz HWEALNKUQDXBCI-JXUBOQSCSA-N 0 3 270.333 -1.433 20 0 CAADHN CN(C)CCn1ccc(NC(=O)NC[C@](C)(O)CO)n1 ZINC000432168887 409644120 /nfs/dbraw/zinc/64/41/20/409644120.db2.gz HFZYNBUNEYEKHG-LBPRGKRZSA-N 0 3 285.348 -0.691 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCC[C@]2(O)CCOC2)C[C@@H]1O ZINC000665225597 409644396 /nfs/dbraw/zinc/64/43/96/409644396.db2.gz QNBOWHMGVYBEGM-GVXVVHGQSA-N 0 3 287.360 -1.156 20 0 CAADHN CN(CCNC(=O)C(=O)Nc1ccn(C)n1)C1CC1 ZINC000347913555 409644530 /nfs/dbraw/zinc/64/45/30/409644530.db2.gz QZPSJTWRELDIQJ-UHFFFAOYSA-N 0 3 265.317 -0.431 20 0 CAADHN CN(C)CCn1ccc(NC(=O)C(=O)N2CCOCC2)n1 ZINC000331341188 409645038 /nfs/dbraw/zinc/64/50/38/409645038.db2.gz XPYCXSIZFKTBQH-UHFFFAOYSA-N 0 3 295.343 -0.758 20 0 CAADHN CN(C)CCn1ccc(NC(=O)[C@@H]2COCCN2)n1 ZINC000430871917 409645640 /nfs/dbraw/zinc/64/56/40/409645640.db2.gz YNMWXNXJSXOXJR-JTQLQIEISA-N 0 3 267.333 -0.628 20 0 CAADHN CN(C)CCn1ccc(NC(=O)NCc2nnn(C)n2)n1 ZINC000571973900 409646408 /nfs/dbraw/zinc/64/64/08/409646408.db2.gz POHQTBRROBKFLL-UHFFFAOYSA-N 0 3 293.335 -0.710 20 0 CAADHN CN(C)CCn1ccc(NC(=O)NC[C@@](C)(O)CO)n1 ZINC000432168886 409647391 /nfs/dbraw/zinc/64/73/91/409647391.db2.gz HFZYNBUNEYEKHG-GFCCVEGCSA-N 0 3 285.348 -0.691 20 0 CAADHN C[C@H](CN(C)C)Nc1ccc(C(=O)NCCO)nn1 ZINC000343796557 409647471 /nfs/dbraw/zinc/64/74/71/409647471.db2.gz STENLZOXWKUESX-SECBINFHSA-N 0 3 267.333 -0.439 20 0 CAADHN C[C@H](CNc1ccc(C(=O)NCCO)nn1)N(C)C ZINC000443449323 409648013 /nfs/dbraw/zinc/64/80/13/409648013.db2.gz VMLFYAPJMXCAGQ-SECBINFHSA-N 0 3 267.333 -0.439 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccn(C)n2)C1 ZINC000645620187 409649766 /nfs/dbraw/zinc/64/97/66/409649766.db2.gz AFZSNHGEAKDXES-UWVGGRQHSA-N 0 3 277.328 -0.479 20 0 CAADHN CN1CC[C@](O)(CNc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000358310064 409653320 /nfs/dbraw/zinc/65/33/20/409653320.db2.gz KNNUASNHWCOADU-LBPRGKRZSA-N 0 3 278.316 -0.453 20 0 CAADHN CCN(CCO)CCNC(=O)N[C@H]1CCNC1=O ZINC000665332574 409658323 /nfs/dbraw/zinc/65/83/23/409658323.db2.gz QEVBHNWYDZXUFQ-VIFPVBQESA-N 0 3 258.322 -1.512 20 0 CAADHN NC(=O)Cn1ccc(NC(=O)[C@H]2CNCCC2(F)F)n1 ZINC000644051211 409660463 /nfs/dbraw/zinc/66/04/63/409660463.db2.gz XSPRIKUHBGIBSJ-SSDOTTSWSA-N 0 3 287.270 -0.448 20 0 CAADHN CNC(=O)c1ccc(NC(=O)NCCN(C)C)nn1 ZINC000640326675 409660561 /nfs/dbraw/zinc/66/05/61/409660561.db2.gz VWMSCYWFDFILCU-UHFFFAOYSA-N 0 3 266.305 -0.481 20 0 CAADHN NC(=O)Cn1ccc(NC(=O)[C@@H]2CCCCN2)n1 ZINC000430291334 409663012 /nfs/dbraw/zinc/66/30/12/409663012.db2.gz UMVLILBRKUGVGE-QMMMGPOBSA-N 0 3 251.290 -0.551 20 0 CAADHN O=C(CCOC1CNC1)NCCNc1cnccn1 ZINC000348994979 409666438 /nfs/dbraw/zinc/66/64/38/409666438.db2.gz URXFWALWVKNKFT-UHFFFAOYSA-N 0 3 265.317 -0.617 20 0 CAADHN Cc1cc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)nn1C ZINC000580429464 409666675 /nfs/dbraw/zinc/66/66/75/409666675.db2.gz HNJUXLGFJMHHTG-UHFFFAOYSA-N 0 3 290.331 -0.491 20 0 CAADHN N[C@H]1C[C@H]2CN(CC(=O)Nc3ccon3)CCN2C1=O ZINC000594875231 409668625 /nfs/dbraw/zinc/66/86/25/409668625.db2.gz CWYYTFAMDRXQGP-IUCAKERBSA-N 0 3 279.300 -1.143 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CC(=O)Nc3ccon3)CCN2C1=O ZINC000594875232 409668681 /nfs/dbraw/zinc/66/86/81/409668681.db2.gz CWYYTFAMDRXQGP-RKDXNWHRSA-N 0 3 279.300 -1.143 20 0 CAADHN CNc1nc(C)cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000552158401 409672265 /nfs/dbraw/zinc/67/22/65/409672265.db2.gz QTODODYOKPFBEI-QWRGUYRKSA-N 0 3 279.344 -0.426 20 0 CAADHN CC1(C)CN[C@@H]1C(=O)Nc1ccn(CC(N)=O)n1 ZINC000644051201 409677658 /nfs/dbraw/zinc/67/76/58/409677658.db2.gz XFSUBBMIZLBJDZ-SECBINFHSA-N 0 3 251.290 -0.695 20 0 CAADHN O=C(NCCO)c1ccc(NCCN2CC[C@@H](O)C2)nn1 ZINC000624679121 409680468 /nfs/dbraw/zinc/68/04/68/409680468.db2.gz UJXHINYBRXWUCL-SNVBAGLBSA-N 0 3 295.343 -1.323 20 0 CAADHN COC(=O)[C@H]1CNCCCN1CC(=O)Nc1ccon1 ZINC000592487572 409681318 /nfs/dbraw/zinc/68/13/18/409681318.db2.gz DQDYHOMPWQNGTH-SECBINFHSA-N 0 3 282.300 -0.550 20 0 CAADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)no1 ZINC000566495147 409685159 /nfs/dbraw/zinc/68/51/59/409685159.db2.gz DCMPGVYWJWQIGH-UWVGGRQHSA-N 0 3 293.327 -0.835 20 0 CAADHN CNC(=O)CC(=O)N1CCCN(C[C@H](O)COC)CC1 ZINC001195633099 782012875 /nfs/dbraw/zinc/01/28/75/782012875.db2.gz OGGRWRQEQTZXRV-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN Cc1cc(NC(=O)CN(C)C(=O)COC2CNC2)no1 ZINC000429790214 409686460 /nfs/dbraw/zinc/68/64/60/409686460.db2.gz NFTQPMSMUWIUHV-UHFFFAOYSA-N 0 3 282.300 -0.632 20 0 CAADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)no1 ZINC000566495149 409687294 /nfs/dbraw/zinc/68/72/94/409687294.db2.gz DCMPGVYWJWQIGH-ZJUUUORDSA-N 0 3 293.327 -0.835 20 0 CAADHN COCCn1ccc(NC(=O)CN2CCNCC2)n1 ZINC000637974227 409690059 /nfs/dbraw/zinc/69/00/59/409690059.db2.gz KTORQIDPJJHRAF-UHFFFAOYSA-N 0 3 267.333 -0.627 20 0 CAADHN O=C(Nc1ccn(CCN2CCOCC2)n1)[C@H]1CCN1 ZINC000444191726 409690804 /nfs/dbraw/zinc/69/08/04/409690804.db2.gz YIZJRNPEVSWRSZ-LLVKDONJSA-N 0 3 279.344 -0.484 20 0 CAADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(OC)nn1 ZINC000342328021 409691808 /nfs/dbraw/zinc/69/18/08/409691808.db2.gz LQNOYDPLFZBJEP-UHFFFAOYSA-N 0 3 281.316 -0.508 20 0 CAADHN CN(C)c1nc(N)nc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000518398137 409723742 /nfs/dbraw/zinc/72/37/42/409723742.db2.gz VONSCFNJKUYKKC-YUMQZZPRSA-N 0 3 295.347 -1.733 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)c1nc(N)nc(N(C)C)n1 ZINC000561302346 409724129 /nfs/dbraw/zinc/72/41/29/409724129.db2.gz XYMRVWWJPPGHCZ-LBPRGKRZSA-N 0 3 297.363 -1.438 20 0 CAADHN Cn1ccc(NCCNC(=O)[C@@H]2CN3CCN2CCC3)n1 ZINC000649223932 409724627 /nfs/dbraw/zinc/72/46/27/409724627.db2.gz DIGHMRHLYPVLCW-LBPRGKRZSA-N 0 3 292.387 -0.662 20 0 CAADHN C[NH+](C)C[C@@](C)(O)CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000354580143 409724840 /nfs/dbraw/zinc/72/48/40/409724840.db2.gz POIHIESFBGCTTA-NSHDSACASA-N 0 3 265.321 -0.967 20 0 CAADHN CN(C)c1nc(N)nc(CN2CC[C@@H]3OCCN[C@H]3C2)n1 ZINC000404078431 409730457 /nfs/dbraw/zinc/73/04/57/409730457.db2.gz OHFGVKYFDKEGKK-UWVGGRQHSA-N 0 3 293.375 -0.918 20 0 CAADHN CN(C)c1nc(N)nc(CN2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000584847526 409730545 /nfs/dbraw/zinc/73/05/45/409730545.db2.gz QEUKLAAPSWRWPN-IUCAKERBSA-N 0 3 281.364 -1.374 20 0 CAADHN CN(C)c1nc(N)nc(CN2CC[C@H]3OCCN[C@@H]3C2)n1 ZINC000404078421 409731491 /nfs/dbraw/zinc/73/14/91/409731491.db2.gz OHFGVKYFDKEGKK-NXEZZACHSA-N 0 3 293.375 -0.918 20 0 CAADHN CNCC(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000431015601 409734300 /nfs/dbraw/zinc/73/43/00/409734300.db2.gz VPSLHTZYVDXSTI-UHFFFAOYSA-N 0 3 256.335 -1.012 20 0 CAADHN COCc1ncc(C(=O)NC[C@@]2(O)CCN(C)C2)c(N)n1 ZINC000356076877 409734761 /nfs/dbraw/zinc/73/47/61/409734761.db2.gz KTJVEZGCPFIQJT-ZDUSSCGKSA-N 0 3 295.343 -0.998 20 0 CAADHN COCc1ncc(C(=O)NC[C@@H]2CNCCO2)c(N)n1 ZINC000574754724 409736399 /nfs/dbraw/zinc/73/63/99/409736399.db2.gz LHTBHRYGFOUAHJ-QMMMGPOBSA-N 0 3 281.316 -1.077 20 0 CAADHN CN(C)CCOCCNC(=O)c1nc(N)nc(N(C)C)n1 ZINC000515860553 409738892 /nfs/dbraw/zinc/73/88/92/409738892.db2.gz FOLOYYUXRNOVNE-UHFFFAOYSA-N 0 3 297.363 -1.172 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1nc(N)nc(N(C)C)n1 ZINC000614849015 409740675 /nfs/dbraw/zinc/74/06/75/409740675.db2.gz VJKUPDGSCFKUGG-ZETCQYMHSA-N 0 3 283.336 -1.828 20 0 CAADHN CN(C)CCNC(=O)c1nc(N)nc(N(C)C)n1 ZINC000552845187 409740912 /nfs/dbraw/zinc/74/09/12/409740912.db2.gz PFBMODZAMAGNGZ-UHFFFAOYSA-N 0 3 253.310 -1.189 20 0 CAADHN Cc1onc(N)c1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000566299654 409743448 /nfs/dbraw/zinc/74/34/48/409743448.db2.gz GAETZUKWUIRHJO-QMMMGPOBSA-N 0 3 289.361 -1.171 20 0 CAADHN C[C@@H](O)CN1CCN(C(=O)CNC(=O)CN)C[C@H]1C ZINC000347671976 287089419 /nfs/dbraw/zinc/08/94/19/287089419.db2.gz BEMALLDSBLYXTJ-NXEZZACHSA-N 0 3 272.349 -2.025 20 0 CAADHN C[C@@H](O)CN1CCN(CCNS(C)(=O)=O)[C@H](C)C1 ZINC000191232367 287095093 /nfs/dbraw/zinc/09/50/93/287095093.db2.gz MUHQHNVMWLZASP-GHMZBOCLSA-N 0 3 279.406 -1.078 20 0 CAADHN CC[C@@H]1CN(C(=O)[C@H](N)CC(N)=O)CCN1C[C@@H](C)O ZINC000438885215 287165073 /nfs/dbraw/zinc/16/50/73/287165073.db2.gz SNCMNAVQEHVUOI-GMTAPVOTSA-N 0 3 286.376 -1.507 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195790487 782017583 /nfs/dbraw/zinc/01/75/83/782017583.db2.gz UNYOKLUKWPOJPX-RKDXNWHRSA-N 0 3 255.318 -1.177 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001195789412 782016389 /nfs/dbraw/zinc/01/63/89/782016389.db2.gz GJVJDROLHRITKZ-GMTAPVOTSA-N 0 3 297.355 -1.550 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001195842633 782018886 /nfs/dbraw/zinc/01/88/86/782018886.db2.gz QCPASLALWUSVAI-MWLCHTKSSA-N 0 3 298.343 -1.063 20 0 CAADHN CC(=O)N1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000020247647 171101278 /nfs/dbraw/zinc/10/12/78/171101278.db2.gz BTGVVJRWNKXHFZ-UHFFFAOYSA-N 0 3 276.362 -1.700 20 0 CAADHN NC(=O)[C@@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000020521287 171234684 /nfs/dbraw/zinc/23/46/84/171234684.db2.gz LKNLCFGLJWUEOB-SNVBAGLBSA-N 0 3 254.334 -1.385 20 0 CAADHN COC[C@H](O)CN1CCCN(C(=O)Cn2nccn2)CC1 ZINC001195966483 782020556 /nfs/dbraw/zinc/02/05/56/782020556.db2.gz GZLYKFMCHNGOPW-GFCCVEGCSA-N 0 3 297.359 -1.180 20 0 CAADHN COCCNCCNS(=O)(=O)N1CCOCC1 ZINC000216284632 292563644 /nfs/dbraw/zinc/56/36/44/292563644.db2.gz KCFRHVHZJRNQRF-UHFFFAOYSA-N 0 3 267.351 -1.611 20 0 CAADHN CN(C)C(=O)CN(C)S(=O)(=O)N1CCNCC1 ZINC000037271180 173082461 /nfs/dbraw/zinc/08/24/61/173082461.db2.gz DLSAVSHWHVJBSE-UHFFFAOYSA-N 0 3 264.351 -1.844 20 0 CAADHN CN(CCC(=O)NC(N)=O)CC(=O)N1CCNCC1 ZINC000038031430 174026262 /nfs/dbraw/zinc/02/62/62/174026262.db2.gz OONFIBMEODWKIV-UHFFFAOYSA-N 0 3 271.321 -2.065 20 0 CAADHN CS(=O)(=O)CCCNC[C@H](O)CN1CCOCC1 ZINC000038047947 174058617 /nfs/dbraw/zinc/05/86/17/174058617.db2.gz YYYSIQIOJNSVDC-NSHDSACASA-N 0 3 280.390 -1.296 20 0 CAADHN CCCN(CC(=O)NC)C(=O)CN1CCNCC1 ZINC000038101038 174116527 /nfs/dbraw/zinc/11/65/27/174116527.db2.gz RPLFGOZTVIZURQ-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN NS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000038101482 174116732 /nfs/dbraw/zinc/11/67/32/174116732.db2.gz HNPJSJKCLSNBSH-SECBINFHSA-N 0 3 276.362 -1.524 20 0 CAADHN CCC[C@@](C)(N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101554 174116825 /nfs/dbraw/zinc/11/68/25/174116825.db2.gz TYPLCBFJSRVQPO-SNVBAGLBSA-N 0 3 278.378 -1.148 20 0 CAADHN CCC[C@@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101537 174116983 /nfs/dbraw/zinc/11/69/83/174116983.db2.gz SAJWBXSFYSLUFP-MRVPVSSYSA-N 0 3 264.351 -1.539 20 0 CAADHN NC1(C(=O)N2CCN(S(N)(=O)=O)CC2)CCCCC1 ZINC000038101527 174117030 /nfs/dbraw/zinc/11/70/30/174117030.db2.gz XGIFTZNQFJRXNC-UHFFFAOYSA-N 0 3 290.389 -1.004 20 0 CAADHN CC(C)[C@@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101498 174117214 /nfs/dbraw/zinc/11/72/14/174117214.db2.gz JOJPBLAEPXIYSL-MRVPVSSYSA-N 0 3 264.351 -1.683 20 0 CAADHN CCC[C@](C)(N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101553 174117295 /nfs/dbraw/zinc/11/72/95/174117295.db2.gz TYPLCBFJSRVQPO-JTQLQIEISA-N 0 3 278.378 -1.148 20 0 CAADHN CC[C@H](C)[C@@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101506 174117352 /nfs/dbraw/zinc/11/73/52/174117352.db2.gz GBFMPNSIXKAZKF-DTWKUNHWSA-N 0 3 278.378 -1.293 20 0 CAADHN COCCOC[C@H](O)CNC1(C(N)=O)CCOCC1 ZINC001195917444 782021439 /nfs/dbraw/zinc/02/14/39/782021439.db2.gz AUKBIAOFYZBCCP-SNVBAGLBSA-N 0 3 276.333 -1.366 20 0 CAADHN COCCOC[C@@H](O)CNC1(C(N)=O)CCOCC1 ZINC001195917443 782021564 /nfs/dbraw/zinc/02/15/64/782021564.db2.gz AUKBIAOFYZBCCP-JTQLQIEISA-N 0 3 276.333 -1.366 20 0 CAADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CCO)C[C@H]1O)N(C)C ZINC001195981576 782021657 /nfs/dbraw/zinc/02/16/57/782021657.db2.gz WCMJSHUCFWXSCL-IJLUTSLNSA-N 0 3 273.377 -1.274 20 0 CAADHN COC[C@@H](O)CN1CCCN(C(=O)Cn2nccn2)CC1 ZINC001195966484 782021672 /nfs/dbraw/zinc/02/16/72/782021672.db2.gz GZLYKFMCHNGOPW-LBPRGKRZSA-N 0 3 297.359 -1.180 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CN1CCOCC1=O ZINC000344516397 225089353 /nfs/dbraw/zinc/08/93/53/225089353.db2.gz MWHYBASIIPBKRO-GFCCVEGCSA-N 0 3 273.333 -1.726 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CN1CCOCC1=O ZINC000344516398 225090031 /nfs/dbraw/zinc/09/00/31/225090031.db2.gz MWHYBASIIPBKRO-LBPRGKRZSA-N 0 3 273.333 -1.726 20 0 CAADHN CN(C)CCOCCNC(=O)CN1CCOCC1=O ZINC000344541847 225104336 /nfs/dbraw/zinc/10/43/36/225104336.db2.gz LXJGMMIEVCZHRR-UHFFFAOYSA-N 0 3 273.333 -1.460 20 0 CAADHN CN(C)CCOCCNS(=O)(=O)N1CCOCC1 ZINC000347172284 226069491 /nfs/dbraw/zinc/06/94/91/226069491.db2.gz HJRXWQCKMLGOJJ-UHFFFAOYSA-N 0 3 281.378 -1.269 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)CNC(=O)CN)CN1C1CC1 ZINC000347662740 226215096 /nfs/dbraw/zinc/21/50/96/226215096.db2.gz FCBXRIHLLVHBBR-BDAKNGLRSA-N 0 3 254.334 -1.197 20 0 CAADHN Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](C)C[NH3+])cn1C ZINC000347667201 226216806 /nfs/dbraw/zinc/21/68/06/226216806.db2.gz KDWBPBQHAVLNKW-ZETCQYMHSA-N 0 3 289.361 -1.530 20 0 CAADHN C[C@H](C[NH3+])NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000347687118 226222646 /nfs/dbraw/zinc/22/26/46/226222646.db2.gz IPRVZJZFAGVOEU-SSDOTTSWSA-N 0 3 275.334 -1.838 20 0 CAADHN NCC(=O)NCC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000347649779 226225681 /nfs/dbraw/zinc/22/56/81/226225681.db2.gz JFKCMEPASIWMLB-UHFFFAOYSA-N 0 3 298.387 -1.368 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2C[C@H](O)C[C@@H]2CO)CC1=O ZINC000347735617 226233266 /nfs/dbraw/zinc/23/32/66/226233266.db2.gz QWEGMXBAPFOKRL-IJLUTSLNSA-N 0 3 299.371 -1.649 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)CNC(=O)CN ZINC000347694087 226236688 /nfs/dbraw/zinc/23/66/88/226236688.db2.gz QQRKXEVBPCUHJO-SNVBAGLBSA-N 0 3 272.349 -1.712 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@]2(CO)CCOC2)CC1=O ZINC000349558487 226776476 /nfs/dbraw/zinc/77/64/76/226776476.db2.gz VYKCHCKGBMZLLX-FZMZJTMJSA-N 0 3 299.371 -1.336 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N(C)C[C@H](O)CO)CC1=O ZINC000353977276 226850503 /nfs/dbraw/zinc/85/05/03/226850503.db2.gz UYEOMWRPOMMTRQ-MNOVXSKESA-N 0 3 287.360 -1.792 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000354569078 227037651 /nfs/dbraw/zinc/03/76/51/227037651.db2.gz JWUSOVSYJXZDLW-QWRGUYRKSA-N 0 3 284.360 -1.665 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000354569073 227037665 /nfs/dbraw/zinc/03/76/65/227037665.db2.gz JWUSOVSYJXZDLW-MNOVXSKESA-N 0 3 284.360 -1.665 20 0 CAADHN CN(C)CCn1nnnc1SCCN1C(=O)CNC1=O ZINC000352543450 227050899 /nfs/dbraw/zinc/05/08/99/227050899.db2.gz FINNNLQOIWCXFE-UHFFFAOYSA-N 0 3 299.360 -1.121 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCc2ncn(C)n2)CC1=O ZINC000352766752 227201640 /nfs/dbraw/zinc/20/16/40/227201640.db2.gz YYEBOHVNKNZNET-JTQLQIEISA-N 0 3 294.359 -1.159 20 0 CAADHN O=C(C[C@H]1NC(=O)NC1=O)N[C@@H](CO)CN1CCCCC1 ZINC000352851255 227328568 /nfs/dbraw/zinc/32/85/68/227328568.db2.gz ASSSGKDWGNCFJL-NXEZZACHSA-N 0 3 298.343 -1.453 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C)C2)O1 ZINC000355813554 228005970 /nfs/dbraw/zinc/00/59/70/228005970.db2.gz YQVWGTFZVPQNAS-KWBADKCTSA-N 0 3 286.328 -1.110 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000353430077 228100707 /nfs/dbraw/zinc/10/07/07/228100707.db2.gz QOPUGSMIGASRJN-LLVKDONJSA-N 0 3 286.376 -1.417 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000353449622 228105020 /nfs/dbraw/zinc/10/50/20/228105020.db2.gz NVYOESYJUUKXGL-GFCCVEGCSA-N 0 3 298.387 -1.273 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC(O)C2)CC1=O ZINC000331545468 228110234 /nfs/dbraw/zinc/11/02/34/228110234.db2.gz OWLVQMOOZLXXAP-SECBINFHSA-N 0 3 255.318 -1.400 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CCOC[C@H](O)C2)CC1=O ZINC000331676584 228118471 /nfs/dbraw/zinc/11/84/71/228118471.db2.gz SSLNZGDRLRFMOW-NWDGAFQWSA-N 0 3 299.371 -1.384 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CCOC[C@@H](O)C2)CC1=O ZINC000331676581 228118476 /nfs/dbraw/zinc/11/84/76/228118476.db2.gz SSLNZGDRLRFMOW-NEPJUHHUSA-N 0 3 299.371 -1.384 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000353184133 228066966 /nfs/dbraw/zinc/06/69/66/228066966.db2.gz PNHWJKBRRYNJPN-CRCLSJGQSA-N 0 3 255.196 -1.411 20 0 CAADHN CN(C)C[C@@H]1CN(S(=O)(=O)C2COC2)CCO1 ZINC000330215124 228068902 /nfs/dbraw/zinc/06/89/02/228068902.db2.gz MEJVOELFAKPVHI-SECBINFHSA-N 0 3 264.347 -1.023 20 0 CAADHN CC(C(=O)N1CC(OCC(=O)N(C)C)C1)S(C)(=O)=O ZINC000332078938 228146571 /nfs/dbraw/zinc/14/65/71/228146571.db2.gz YHFJARQPOKDXPF-MRVPVSSYSA-N 0 3 292.357 -1.265 20 0 CAADHN COCCN1CCN(C(=O)C2(N)CCOCC2)CC1=O ZINC000353744341 228149236 /nfs/dbraw/zinc/14/92/36/228149236.db2.gz IXJJBDRGOKYWBZ-UHFFFAOYSA-N 0 3 285.344 -1.189 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000353793259 228154217 /nfs/dbraw/zinc/15/42/17/228154217.db2.gz PRIJLQNNVYBNMD-NWDGAFQWSA-N 0 3 298.387 -1.275 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H](C)CN(C)C ZINC000332494344 228161504 /nfs/dbraw/zinc/16/15/04/228161504.db2.gz GGELSCGSSWYPLA-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN CN(C)CC[C@](C)(O)CNC(=O)Cn1ncn(C)c1=O ZINC000352124247 228185443 /nfs/dbraw/zinc/18/54/43/228185443.db2.gz WVILMBFVFRTJIA-LBPRGKRZSA-N 0 3 285.348 -1.599 20 0 CAADHN CNC(=O)NCC(=O)N1CCCN(C[C@@H](C)O)CC1 ZINC001196073727 782025307 /nfs/dbraw/zinc/02/53/07/782025307.db2.gz YNUKGQJMHGIGGH-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN NC(=O)[C@H]1CN(CCNC(=O)C2CC2)C[C@@H]1C(N)=O ZINC001196095606 782026066 /nfs/dbraw/zinc/02/60/66/782026066.db2.gz YPDHATLGEQBQNN-IUCAKERBSA-N 0 3 268.317 -1.969 20 0 CAADHN CSCC[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000040469151 230156626 /nfs/dbraw/zinc/15/66/26/230156626.db2.gz KSYIWZPJHGTSAW-QMMMGPOBSA-N 0 3 296.418 -1.586 20 0 CAADHN O=C(C(=O)N1CCN(CC2CC2)CC1)N1CCNCC1 ZINC000048996818 230158002 /nfs/dbraw/zinc/15/80/02/230158002.db2.gz MENMDKIFLFOWOJ-UHFFFAOYSA-N 0 3 280.372 -1.028 20 0 CAADHN CS(=O)(=O)CCS(=O)(=O)N1CCC[C@H](N)C1 ZINC000063143273 230159882 /nfs/dbraw/zinc/15/98/82/230159882.db2.gz UNHIKCINDZJZPI-QMMMGPOBSA-N 0 3 270.376 -1.216 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)C[C@H]1CNCCO1 ZINC000091301354 230167333 /nfs/dbraw/zinc/16/73/33/230167333.db2.gz CTEKOXZVENZIIH-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN O=C(CN1CCNCC1)NCC(=O)N1CCCC1 ZINC000135293527 230178752 /nfs/dbraw/zinc/17/87/52/230178752.db2.gz QSPIIOMFMDQBDI-UHFFFAOYSA-N 0 3 254.334 -1.370 20 0 CAADHN CCN(C)C(=O)CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001196093474 782027078 /nfs/dbraw/zinc/02/70/78/782027078.db2.gz MMQNAMMGXTZGJU-YUMQZZPRSA-N 0 3 256.306 -2.017 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)CN1CCNCC1=O ZINC000167266018 230187480 /nfs/dbraw/zinc/18/74/80/230187480.db2.gz SWUIXJMRAAYRQS-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CN(C)C[C@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)CCO1 ZINC000171636264 230189270 /nfs/dbraw/zinc/18/92/70/230189270.db2.gz IBAJEBXAHKGRHN-LBPRGKRZSA-N 0 3 296.371 -1.154 20 0 CAADHN COCCNCC(=O)NCCC(=O)N1CCN(C)CC1 ZINC000178700721 230194965 /nfs/dbraw/zinc/19/49/65/230194965.db2.gz YJZMDFDILMVEDH-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN Cc1cc(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)ncn1 ZINC001196092231 782027250 /nfs/dbraw/zinc/02/72/50/782027250.db2.gz GCRVJILXLINCHV-UWVGGRQHSA-N 0 3 263.301 -1.196 20 0 CAADHN CN(C)C[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1 ZINC000247194032 230215964 /nfs/dbraw/zinc/21/59/64/230215964.db2.gz OKKGRUOPNBRHHY-KBPBESRZSA-N 0 3 287.404 -1.058 20 0 CAADHN COC[C@@H](C)NC(=O)NC(=O)CN1CCNCC1 ZINC000261610685 230217326 /nfs/dbraw/zinc/21/73/26/230217326.db2.gz ARNBGWZORKOEAC-SECBINFHSA-N 0 3 258.322 -1.248 20 0 CAADHN CN1CCC(CO)(NC(=O)c2cncc(=O)[nH]2)CC1 ZINC001196170950 782028289 /nfs/dbraw/zinc/02/82/89/782028289.db2.gz FOXFDPUKDFBRHW-UHFFFAOYSA-N 0 3 266.301 -1.044 20 0 CAADHN COC[C@@H](N)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000262223296 230226296 /nfs/dbraw/zinc/22/62/96/230226296.db2.gz FVPMHLPXHMKIQW-GFCCVEGCSA-N 0 3 298.387 -1.273 20 0 CAADHN NC1(C(=O)N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000262696640 230230076 /nfs/dbraw/zinc/23/00/76/230230076.db2.gz DYYJLHKEWZMAAF-NSHDSACASA-N 0 3 296.371 -1.473 20 0 CAADHN COC[C@H](C(N)=O)N(C)C[C@@H](O)CN(C)C1CC1 ZINC000339366085 230238118 /nfs/dbraw/zinc/23/81/18/230238118.db2.gz YCGXFECFKZJCLM-WDEREUQCSA-N 0 3 259.350 -1.126 20 0 CAADHN O=C(C[C@H]1NC(=O)[N-]C1=O)NCCNc1cc[nH+]cc1 ZINC000343199665 230239295 /nfs/dbraw/zinc/23/92/95/230239295.db2.gz GEGAABDDUBVPBJ-SECBINFHSA-N 0 3 277.284 -1.370 20 0 CAADHN CN(C)CCn1nnnc1SCCC(=O)NC(N)=O ZINC000343113626 230239304 /nfs/dbraw/zinc/23/93/04/230239304.db2.gz IJZXPNVSCYKICC-UHFFFAOYSA-N 0 3 287.349 -1.088 20 0 CAADHN C[C@H](CC(N)=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000358153418 230241266 /nfs/dbraw/zinc/24/12/66/230241266.db2.gz ITKYSAWSFHEAAD-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC(CC(N)=O)C2)CC1=O ZINC000358144540 230241839 /nfs/dbraw/zinc/24/18/39/230241839.db2.gz CGVBKDDTUNNPRL-NSHDSACASA-N 0 3 296.371 -1.270 20 0 CAADHN CN(C)C(=O)CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358719396 230248409 /nfs/dbraw/zinc/24/84/09/230248409.db2.gz LIKDIISHRYVDPR-GFCCVEGCSA-N 0 3 272.349 -1.170 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCNCC1 ZINC000419534205 230253731 /nfs/dbraw/zinc/25/37/31/230253731.db2.gz JPSVFXKSWKTRJN-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCNC[C@H]2C)C1 ZINC000419727456 230255159 /nfs/dbraw/zinc/25/51/59/230255159.db2.gz LJGVKCWLMLQHDC-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCN[C@H](C)C2)C1 ZINC000419734620 230255213 /nfs/dbraw/zinc/25/52/13/230255213.db2.gz VNPRKGQWAXNLPF-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN NC[C@H](NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1)C1CC1 ZINC000420029044 230259535 /nfs/dbraw/zinc/25/95/35/230259535.db2.gz FCYIVWROSCNTML-NSHDSACASA-N 0 3 294.355 -1.327 20 0 CAADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CCNC(=O)C1 ZINC000420044142 230259715 /nfs/dbraw/zinc/25/97/15/230259715.db2.gz SOMGTUOCUDZJKC-BDAKNGLRSA-N 0 3 298.343 -1.826 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000420014072 230260346 /nfs/dbraw/zinc/26/03/46/230260346.db2.gz MVZUDDFAAPYVPQ-MRVPVSSYSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N[C@H](CN)C1CCCC1 ZINC000420076158 230260446 /nfs/dbraw/zinc/26/04/46/230260446.db2.gz VJGMGNOSKPJRSE-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000424148104 230278101 /nfs/dbraw/zinc/27/81/01/230278101.db2.gz TWPPHRJUAFGGHI-LPEHRKFASA-N 0 3 251.290 -1.147 20 0 CAADHN COCCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424145067 230278635 /nfs/dbraw/zinc/27/86/35/230278635.db2.gz YKUJZENCOGWCPD-MNOVXSKESA-N 0 3 284.360 -1.760 20 0 CAADHN COCCN(CC(=O)OC)C(=O)COC1CNC1 ZINC000423759325 230279174 /nfs/dbraw/zinc/27/91/74/230279174.db2.gz OQNSVLFWDKQGJO-UHFFFAOYSA-N 0 3 260.290 -1.377 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000424133080 230279300 /nfs/dbraw/zinc/27/93/00/230279300.db2.gz IVYJRVDNLYMIHE-NWDGAFQWSA-N 0 3 296.371 -1.663 20 0 CAADHN COCCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@@H]2N)cn1 ZINC000424133645 230280053 /nfs/dbraw/zinc/28/00/53/230280053.db2.gz XPSVQVDPJMKMCW-ZJUUUORDSA-N 0 3 281.316 -1.069 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000424197647 230280949 /nfs/dbraw/zinc/28/09/49/230280949.db2.gz OHBJGBVSJIEJED-VHSXEESVSA-N 0 3 288.373 -2.221 20 0 CAADHN CN(C)CCNC(=O)N[C@@H]1CCC(=O)N(C)C1=O ZINC000425846033 230288983 /nfs/dbraw/zinc/28/89/83/230288983.db2.gz LNZAPVJECNMRQF-MRVPVSSYSA-N 0 3 256.306 -1.005 20 0 CAADHN COCCCS(=O)(=O)NCC(=O)NCCN(C)C ZINC000428969576 230297137 /nfs/dbraw/zinc/29/71/37/230297137.db2.gz WHPCLLKVOJRESZ-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN [NH3+]C[C@H]1CCCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000429000590 230297409 /nfs/dbraw/zinc/29/74/09/230297409.db2.gz XKAQRBQGSVFYPO-MRVPVSSYSA-N 0 3 254.290 -1.122 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CCC[NH2+]2)c(=O)[n-]c1=O ZINC000429085671 230298168 /nfs/dbraw/zinc/29/81/68/230298168.db2.gz CVFIPDJLKVPCIF-ZETCQYMHSA-N 0 3 252.274 -1.032 20 0 CAADHN [NH3+]C[C@@H]1CCC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000429176960 230298223 /nfs/dbraw/zinc/29/82/23/230298223.db2.gz PZZFOMHNRHRQRD-JGVFFNPUSA-N 0 3 254.290 -1.218 20 0 CAADHN COC[C@](C)(NC(=O)COC1CNC1)C(=O)OC ZINC000430447465 230304209 /nfs/dbraw/zinc/30/42/09/230304209.db2.gz IVDNMTIIWKPNJG-NSHDSACASA-N 0 3 260.290 -1.331 20 0 CAADHN Cn1cc(N2CC[C@@H](NC(=O)COC3CNC3)C2=O)cn1 ZINC000430389660 230304080 /nfs/dbraw/zinc/30/40/80/230304080.db2.gz VYVLJHKELSJQBG-LLVKDONJSA-N 0 3 293.327 -1.370 20 0 CAADHN CCS(=O)(=O)C[C@@H](C)NC(=O)COC1CNC1 ZINC000430407398 230304934 /nfs/dbraw/zinc/30/49/34/230304934.db2.gz IQPFXQLELYMKOI-MRVPVSSYSA-N 0 3 264.347 -1.086 20 0 CAADHN O=C(CN1CCNCC1=O)NCCCN1CCC(O)CC1 ZINC000430753825 230306681 /nfs/dbraw/zinc/30/66/81/230306681.db2.gz KFXHBWUUJSFDHA-UHFFFAOYSA-N 0 3 298.387 -1.619 20 0 CAADHN COCCNC(=O)CN1CCN(C(=O)C2(N)CC2)CC1 ZINC000430829888 230307430 /nfs/dbraw/zinc/30/74/30/230307430.db2.gz IQQSVCDRYDNYLN-UHFFFAOYSA-N 0 3 284.360 -1.616 20 0 CAADHN COCCNCC(=O)NCCN1CCN(C(C)=O)CC1 ZINC000430737053 230308402 /nfs/dbraw/zinc/30/84/02/230308402.db2.gz ABSSYQSQIRCARS-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNCCO1)CN1CCN(C)CC1 ZINC000431012287 230310565 /nfs/dbraw/zinc/31/05/65/230310565.db2.gz ABFJCIIYIHKION-OLZOCXBDSA-N 0 3 284.404 -1.026 20 0 CAADHN C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000434704046 230318033 /nfs/dbraw/zinc/31/80/33/230318033.db2.gz CNEBZGXFGLXJIG-SFYZADRCSA-N 0 3 254.290 -1.205 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@H](O)C2)CC1=O ZINC000443521660 230333030 /nfs/dbraw/zinc/33/30/30/230333030.db2.gz WKSDXRVKYCMKDG-MNOVXSKESA-N 0 3 269.345 -1.010 20 0 CAADHN [NH3+][C@@H]1CCC[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000446395157 230339426 /nfs/dbraw/zinc/33/94/26/230339426.db2.gz BLFKQSNIRWBJPR-HTQZYQBOSA-N 0 3 254.290 -1.076 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCOCCO)CC1=O ZINC000448349618 230344821 /nfs/dbraw/zinc/34/48/21/230344821.db2.gz XIRGUYVHKYQEPI-NSHDSACASA-N 0 3 287.360 -1.478 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCOCCO)CC1=O ZINC000448349617 230344882 /nfs/dbraw/zinc/34/48/82/230344882.db2.gz XIRGUYVHKYQEPI-LLVKDONJSA-N 0 3 287.360 -1.478 20 0 CAADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000459828371 230351464 /nfs/dbraw/zinc/35/14/64/230351464.db2.gz CJZBOQNBCRKFAD-SNVBAGLBSA-N 0 3 282.344 -1.503 20 0 CAADHN CN(C)CCOCCNC(=O)N1CCNC(=O)C1 ZINC000471636607 230353979 /nfs/dbraw/zinc/35/39/79/230353979.db2.gz RTIFXNWIVJMMQF-UHFFFAOYSA-N 0 3 258.322 -1.294 20 0 CAADHN CN(C)CCOCCNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000471646657 230354262 /nfs/dbraw/zinc/35/42/62/230354262.db2.gz WFHCLYBFZGJNOH-NSHDSACASA-N 0 3 299.375 -1.016 20 0 CAADHN COCCN(C)S(=O)(=O)NCCOCCN(C)C ZINC000471640824 230354354 /nfs/dbraw/zinc/35/43/54/230354354.db2.gz AYFZWKGJRWWLBB-UHFFFAOYSA-N 0 3 283.394 -1.023 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001196184944 782028698 /nfs/dbraw/zinc/02/86/98/782028698.db2.gz KUOPNTUCWSEYLD-LMLFDSFASA-N 0 3 285.344 -1.694 20 0 CAADHN CO[C@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1OC ZINC000488526894 230358605 /nfs/dbraw/zinc/35/86/05/230358605.db2.gz GCSSFQUHDGHFEX-QWRGUYRKSA-N 0 3 283.328 -1.070 20 0 CAADHN NC1(C(=O)NCCN2C(=O)CNC2=O)CCCC1 ZINC000490728020 230360373 /nfs/dbraw/zinc/36/03/73/230360373.db2.gz DTMJWQGYGHKSQS-UHFFFAOYSA-N 0 3 254.290 -1.074 20 0 CAADHN CN(C)C/C=C/C(=O)N1CCN(C(=O)CO)CC1 ZINC000492357183 230362954 /nfs/dbraw/zinc/36/29/54/230362954.db2.gz HABBTHFQXULCCN-ONEGZZNKSA-N 0 3 255.318 -1.233 20 0 CAADHN CN(C)CCOCCNS(=O)(=O)C1COC1 ZINC000493883726 230363208 /nfs/dbraw/zinc/36/32/08/230363208.db2.gz RIBQIADICAVUJH-UHFFFAOYSA-N 0 3 252.336 -1.117 20 0 CAADHN CN(C)C/C=C/C(=O)NCCNS(=O)(=O)N(C)C ZINC000493490195 230363264 /nfs/dbraw/zinc/36/32/64/230363264.db2.gz IDCYLWHSVMLABH-AATRIKPKSA-N 0 3 278.378 -1.384 20 0 CAADHN COCCN(C)CCNC(=O)NCc1nnn(C)n1 ZINC000494882764 230363808 /nfs/dbraw/zinc/36/38/08/230363808.db2.gz KTEBATFRNWTLGS-UHFFFAOYSA-N 0 3 271.325 -1.413 20 0 CAADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1COC(=O)N1 ZINC000496716227 230365052 /nfs/dbraw/zinc/36/50/52/230365052.db2.gz YOCQZVSXMHFOSV-CABZTGNLSA-N 0 3 269.301 -1.332 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000496787863 230365249 /nfs/dbraw/zinc/36/52/49/230365249.db2.gz WLOCBRMQCHLREG-SNVBAGLBSA-N 0 3 270.333 -1.199 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CN(CCO)C[C@H]1O)N(C)C ZINC001196276680 782032306 /nfs/dbraw/zinc/03/23/06/782032306.db2.gz SFJIGMQKMIWGTQ-OUAUKWLOSA-N 0 3 259.350 -1.520 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)[C@@H]1CCC(=O)N1 ZINC001273716813 782032480 /nfs/dbraw/zinc/03/24/80/782032480.db2.gz VFDCBDKOVQCKGY-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN O=C(CCc1cn[nH]n1)N[C@@H]1CN(CCO)C[C@H]1O ZINC001196320615 782033176 /nfs/dbraw/zinc/03/31/76/782033176.db2.gz MSWRATWQWJFCGY-NXEZZACHSA-N 0 3 269.305 -2.109 20 0 CAADHN O=C(CCc1c[nH]nn1)N[C@@H]1CN(CCO)C[C@H]1O ZINC001196320615 782033184 /nfs/dbraw/zinc/03/31/84/782033184.db2.gz MSWRATWQWJFCGY-NXEZZACHSA-N 0 3 269.305 -2.109 20 0 CAADHN O=S(=O)(NCCNC(CO)CO)c1ccccc1 ZINC000517169812 260028994 /nfs/dbraw/zinc/02/89/94/260028994.db2.gz CKCYMRLIGUQCCM-UHFFFAOYSA-N 0 3 274.342 -1.092 20 0 CAADHN O=C(CN1CCNCC1=O)NC[C@H]1CNCCO1 ZINC000521042580 260037220 /nfs/dbraw/zinc/03/72/20/260037220.db2.gz KZDWQGQJQJMEFG-SECBINFHSA-N 0 3 256.306 -2.477 20 0 CAADHN NC(=O)c1csc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000517395670 260182933 /nfs/dbraw/zinc/18/29/33/260182933.db2.gz MGCMCDXVLVXJFC-NKWVEPMBSA-N 0 3 281.341 -1.010 20 0 CAADHN NC(=O)c1csc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000517395672 260183070 /nfs/dbraw/zinc/18/30/70/260183070.db2.gz MGCMCDXVLVXJFC-RQJHMYQMSA-N 0 3 281.341 -1.010 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN(C)S(C)(=O)=O)C[C@@H]1O ZINC000517766752 260305129 /nfs/dbraw/zinc/30/51/29/260305129.db2.gz YVEJSDUDSYEUAC-IUCAKERBSA-N 0 3 279.362 -1.989 20 0 CAADHN O=C(CNCC1CC1)NCC(=O)N1CCOCC1 ZINC000305557226 260312040 /nfs/dbraw/zinc/31/20/40/260312040.db2.gz GFIDWHNYZSUHRQ-UHFFFAOYSA-N 0 3 255.318 -1.039 20 0 CAADHN C[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)N1C(=O)CCC1=O ZINC000517961451 260326637 /nfs/dbraw/zinc/32/66/37/260326637.db2.gz VVXWYOMSFBAQSC-GUBZILKMSA-N 0 3 283.328 -1.343 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCNC(=O)[C@H]1C ZINC000518062770 260339714 /nfs/dbraw/zinc/33/97/14/260339714.db2.gz PQLMDIJMQMTNBX-GHMZBOCLSA-N 0 3 259.350 -1.254 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCNC(=O)[C@@H]1C ZINC000518062773 260340047 /nfs/dbraw/zinc/34/00/47/260340047.db2.gz PQLMDIJMQMTNBX-WDEREUQCSA-N 0 3 259.350 -1.254 20 0 CAADHN COC[C@@H](O)CNCCS(=O)(=O)N1CCSCC1 ZINC000518171489 260347708 /nfs/dbraw/zinc/34/77/08/260347708.db2.gz ZUDQBVRIKVJEDH-JTQLQIEISA-N 0 3 298.430 -1.038 20 0 CAADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CNC1 ZINC000518347620 260380693 /nfs/dbraw/zinc/38/06/93/260380693.db2.gz JDCDMDLPTCGMKU-SNVBAGLBSA-N 0 3 298.387 -1.622 20 0 CAADHN COC(=O)C[C@H](N)C(=O)NCCOCCN(C)C ZINC000518371665 260386372 /nfs/dbraw/zinc/38/63/72/260386372.db2.gz DMDCPLFELYJDTM-VIFPVBQESA-N 0 3 261.322 -1.429 20 0 CAADHN O[C@H](CN1CCOCC1)CN1CCc2nncn2CC1 ZINC001251010259 782037382 /nfs/dbraw/zinc/03/73/82/782037382.db2.gz VRKBBTJXLWFBIG-LBPRGKRZSA-N 0 3 281.360 -1.171 20 0 CAADHN CN1CC2(C1)CN(C[C@@H](O)CN1CCOCC1)C2 ZINC001251024254 782037463 /nfs/dbraw/zinc/03/74/63/782037463.db2.gz RBAZRLYPBBBWAF-LBPRGKRZSA-N 0 3 255.362 -1.073 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)C[C@H]1CNCCO1 ZINC000390347965 262181956 /nfs/dbraw/zinc/18/19/56/262181956.db2.gz LGQBRUUHLSSATJ-VIFPVBQESA-N 0 3 279.362 -1.580 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000521413521 262317002 /nfs/dbraw/zinc/31/70/02/262317002.db2.gz VTHSSVJXJQPSOL-NXEZZACHSA-N 0 3 280.328 -1.656 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000521413524 262317097 /nfs/dbraw/zinc/31/70/97/262317097.db2.gz VTHSSVJXJQPSOL-ZJUUUORDSA-N 0 3 280.328 -1.656 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000521413522 262317175 /nfs/dbraw/zinc/31/71/75/262317175.db2.gz VTHSSVJXJQPSOL-UWVGGRQHSA-N 0 3 280.328 -1.656 20 0 CAADHN C[C@@H](CNC(=O)C(=O)NCC(=O)N(C)C)N1CCCC1 ZINC000525831108 262399497 /nfs/dbraw/zinc/39/94/97/262399497.db2.gz BOZFLMRISUKFAJ-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@H](CNC(=O)C(=O)NCC(=O)N(C)C)N1CCCC1 ZINC000525831109 262399619 /nfs/dbraw/zinc/39/96/19/262399619.db2.gz BOZFLMRISUKFAJ-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CN(C)[C@H]1CN(CC(=O)NC2CCOCC2)C[C@@H]1O ZINC000519641820 265512006 /nfs/dbraw/zinc/51/20/06/265512006.db2.gz GSYQXRDSYIBHIR-RYUDHWBXSA-N 0 3 271.361 -1.112 20 0 CAADHN COCCN1CC[C@@H](NC[C@H](O)CN2CCOCC2)C1 ZINC000520397938 265795240 /nfs/dbraw/zinc/79/52/40/265795240.db2.gz OBORUICKLWRIDC-KGLIPLIRSA-N 0 3 287.404 -1.010 20 0 CAADHN COC[C@H](O)CN1CCCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001196724938 782039165 /nfs/dbraw/zinc/03/91/65/782039165.db2.gz SUMPWQPEWPGPMB-NEPJUHHUSA-N 0 3 299.371 -1.336 20 0 CAADHN COC[C@H](O)CN1CCCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001196724941 782040631 /nfs/dbraw/zinc/04/06/31/782040631.db2.gz SUMPWQPEWPGPMB-VXGBXAGGSA-N 0 3 299.371 -1.336 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001110483441 782041040 /nfs/dbraw/zinc/04/10/40/782041040.db2.gz VAZWWLLBJCFABV-BBBLOLIVSA-N 0 3 255.318 -1.164 20 0 CAADHN O=C(CNC(=O)C1CCC1)NCCNCC(=O)NC1CC1 ZINC001152303989 782041505 /nfs/dbraw/zinc/04/15/05/782041505.db2.gz MUDXLBASMPQGDV-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1N ZINC000517731348 269088802 /nfs/dbraw/zinc/08/88/02/269088802.db2.gz OKQGGCWUFFQBNT-YIZRAAEISA-N 0 3 261.347 -1.126 20 0 CAADHN CCN1CCN(CC(=O)NCCN2CCCC2)C(=O)C1=O ZINC000193465527 269085809 /nfs/dbraw/zinc/08/58/09/269085809.db2.gz OSCGFPQGUAVGNW-UHFFFAOYSA-N 0 3 296.371 -1.111 20 0 CAADHN CNC(=O)C1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000186128827 269085935 /nfs/dbraw/zinc/08/59/35/269085935.db2.gz GANIUNNGEDKMFK-JTQLQIEISA-N 0 3 296.371 -1.399 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC000183931497 269086399 /nfs/dbraw/zinc/08/63/99/269086399.db2.gz SYLIMNVERSTASX-NSHDSACASA-N 0 3 259.350 -1.253 20 0 CAADHN CNC(=O)C1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000186128814 269086079 /nfs/dbraw/zinc/08/60/79/269086079.db2.gz GANIUNNGEDKMFK-SNVBAGLBSA-N 0 3 296.371 -1.399 20 0 CAADHN CNC(=O)CN1CCN(C(=O)CNC2CC2)CC1 ZINC000037495211 269086148 /nfs/dbraw/zinc/08/61/48/269086148.db2.gz WMPOXXYUFQBIGY-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN CN1CCC[C@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000194702052 269086626 /nfs/dbraw/zinc/08/66/26/269086626.db2.gz MMEXZIREDUEWIH-JTQLQIEISA-N 0 3 280.328 -1.243 20 0 CAADHN CN(C)CCn1ccc(NC(=O)CN2CCNCC2=O)n1 ZINC000236998515 269087307 /nfs/dbraw/zinc/08/73/07/269087307.db2.gz NEAATRQHQMTIHI-UHFFFAOYSA-N 0 3 294.359 -1.185 20 0 CAADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)CN)CC1 ZINC000237396357 269087480 /nfs/dbraw/zinc/08/74/80/269087480.db2.gz HXPCUPBOOJCGQV-LLVKDONJSA-N 0 3 284.360 -1.663 20 0 CAADHN COCCN(C)CCNC(=O)CN1CCNCC1=O ZINC000237256608 269087661 /nfs/dbraw/zinc/08/76/61/269087661.db2.gz RJQZPAJOHPNJLL-UHFFFAOYSA-N 0 3 272.349 -1.887 20 0 CAADHN CS(=O)(=O)N1CCC[C@H](NCCC(=O)NC(N)=O)C1 ZINC000517231001 269088566 /nfs/dbraw/zinc/08/85/66/269088566.db2.gz MPRINEUCMIQJSG-QMMMGPOBSA-N 0 3 292.361 -1.415 20 0 CAADHN CCS(=O)(=O)NCCS(=O)(=O)NC1CNC1 ZINC000517281651 269088714 /nfs/dbraw/zinc/08/87/14/269088714.db2.gz JZEXLUJIFAOANK-UHFFFAOYSA-N 0 3 271.364 -2.183 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC3CCC3)CCN2C1=O ZINC000518218204 269088716 /nfs/dbraw/zinc/08/87/16/269088716.db2.gz BXIKJHULTKANFX-NXEZZACHSA-N 0 3 280.328 -1.575 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)NCCN1CCCC1=O ZINC000517242248 269088779 /nfs/dbraw/zinc/08/87/79/269088779.db2.gz LWWIRKLURUYDIK-SNVBAGLBSA-N 0 3 282.344 -1.325 20 0 CAADHN O=C(CN1CCOCC1)NC[C@@]1(O)CN2CCC1CC2 ZINC000517614076 269089065 /nfs/dbraw/zinc/08/90/65/269089065.db2.gz YZETZDSGTPCENW-CQSZACIVSA-N 0 3 283.372 -1.109 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000521367312 269089401 /nfs/dbraw/zinc/08/94/01/269089401.db2.gz YOFDUSOYPPQHSR-QWRGUYRKSA-N 0 3 287.360 -1.385 20 0 CAADHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)NC2CNC2)CC1=O ZINC000521591710 269089428 /nfs/dbraw/zinc/08/94/28/269089428.db2.gz HQBZKRAZXJHDJZ-MRTMQBJTSA-N 0 3 280.328 -1.800 20 0 CAADHN CN(C)[C@H]1CN(CC(=O)NC[C@@H]2CCCO2)C[C@@H]1O ZINC000520835114 269089444 /nfs/dbraw/zinc/08/94/44/269089444.db2.gz YHPKQGVRNWATJT-SRVKXCTJSA-N 0 3 271.361 -1.112 20 0 CAADHN CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000519819646 269089449 /nfs/dbraw/zinc/08/94/49/269089449.db2.gz OMSOYWQRGPANLT-FZMZJTMJSA-N 0 3 298.387 -1.539 20 0 CAADHN CC(C)NS(=O)(=O)NCCNCCC(=O)NC(N)=O ZINC000521427632 269089565 /nfs/dbraw/zinc/08/95/65/269089565.db2.gz LKRUMELTMZHPCX-UHFFFAOYSA-N 0 3 295.365 -2.007 20 0 CAADHN CN[C@@H](C)C(=O)N(CCN1CCOCC1)CC(=O)OC ZINC000520838044 269089668 /nfs/dbraw/zinc/08/96/68/269089668.db2.gz OMOSUGBVJRFCGA-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN C[NH+](C)CCN1CCN(C(=O)CN2CC(=O)[N-]C2=O)CC1 ZINC000522881444 269090045 /nfs/dbraw/zinc/09/00/45/269090045.db2.gz ZMWGLMCMPBOEGO-UHFFFAOYSA-N 0 3 297.359 -1.756 20 0 CAADHN CCN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000522001311 269090173 /nfs/dbraw/zinc/09/01/73/269090173.db2.gz PKYSRISQMMVKGF-QWRGUYRKSA-N 0 3 268.361 -1.044 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@@H]1O ZINC000522012828 269090267 /nfs/dbraw/zinc/09/02/67/269090267.db2.gz XJXNUNNJMVSHGJ-UTLUCORTSA-N 0 3 255.318 -1.402 20 0 CAADHN C[C@H]1CCN(CCNC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000525803866 269090374 /nfs/dbraw/zinc/09/03/74/269090374.db2.gz VXGHTCHEEOZJCE-VIFPVBQESA-N 0 3 296.327 -1.135 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCOCCN(C)C ZINC000522009625 269090490 /nfs/dbraw/zinc/09/04/90/269090490.db2.gz NQQXVOVXYMVBCC-UHFFFAOYSA-N 0 3 282.366 -2.265 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CCN2C(=O)N=NC2C1 ZINC000527367137 269090765 /nfs/dbraw/zinc/09/07/65/269090765.db2.gz NFRFUYMBKNVGSL-SNVBAGLBSA-N 0 3 292.343 -1.284 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN2C(=O)N=NC2C1 ZINC000527367136 269090773 /nfs/dbraw/zinc/09/07/73/269090773.db2.gz NFRFUYMBKNVGSL-JTQLQIEISA-N 0 3 292.343 -1.284 20 0 CAADHN C[C@H](CO)N(C[C@H](C)O)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000527481773 269090846 /nfs/dbraw/zinc/09/08/46/269090846.db2.gz CTCGAXYKWSTFCS-AGIUHOORSA-N 0 3 285.388 -1.034 20 0 CAADHN CNc1nc(NCC2COC2)nc(NCC2COC2)n1 ZINC000528226792 269091922 /nfs/dbraw/zinc/09/19/22/269091922.db2.gz WBSOCLSPJGNWQB-UHFFFAOYSA-N 0 3 280.332 -1.704 20 0 CAADHN COCCN1CC[C@@H](NC(=O)NC[C@H]2COCCN2)C1 ZINC000529310631 269092261 /nfs/dbraw/zinc/09/22/61/269092261.db2.gz RBLLUBYECSBQTR-NEPJUHHUSA-N 0 3 286.376 -1.005 20 0 CAADHN O=C(NC[C@H]1COCCN1)NC[C@@H]1CNCCO1 ZINC000529344188 269092300 /nfs/dbraw/zinc/09/23/00/269092300.db2.gz QZUUWYJGVVVZFH-UWVGGRQHSA-N 0 3 258.322 -1.738 20 0 CAADHN COCCN1CC[C@@H](NC(=O)NC[C@@H]2COCCN2)C1 ZINC000529310634 269092409 /nfs/dbraw/zinc/09/24/09/269092409.db2.gz RBLLUBYECSBQTR-VXGBXAGGSA-N 0 3 286.376 -1.005 20 0 CAADHN CN1CCC[C@@H](NC(=O)NC[C@@H]2CNCCO2)C1=O ZINC000529345327 269093216 /nfs/dbraw/zinc/09/32/16/269093216.db2.gz VAUOQETXDLYZPI-VHSXEESVSA-N 0 3 270.333 -1.105 20 0 CAADHN CN1CCC[C@@H](NC(=O)N2CCOC3(CNC3)C2)C1=O ZINC000529361430 269093440 /nfs/dbraw/zinc/09/34/40/269093440.db2.gz PDBNOXLAXKFUSC-SNVBAGLBSA-N 0 3 282.344 -1.009 20 0 CAADHN CN1CCN(C(=O)N[C@@H]2CCCN(C)C2=O)[C@@H](CN)C1 ZINC000529357525 269093532 /nfs/dbraw/zinc/09/35/32/269093532.db2.gz CQWYOTYZXQJWTR-WDEREUQCSA-N 0 3 283.376 -1.109 20 0 CAADHN C[C@H](O)CN1CCN(C(=O)NC[C@@H]2COCCN2)CC1 ZINC000529383050 269093540 /nfs/dbraw/zinc/09/35/40/269093540.db2.gz FANGMYOCCMRNTJ-NWDGAFQWSA-N 0 3 286.376 -1.317 20 0 CAADHN CN1CCN(C(=O)N[C@@H]2CCCN(C)C2=O)[C@H](CN)C1 ZINC000529357522 269093733 /nfs/dbraw/zinc/09/37/33/269093733.db2.gz CQWYOTYZXQJWTR-GHMZBOCLSA-N 0 3 283.376 -1.109 20 0 CAADHN CN1CCN(C(=O)NC[C@@H]2COCCN2)[C@@H](CN)C1 ZINC000529389067 269093824 /nfs/dbraw/zinc/09/38/24/269093824.db2.gz QIWQTRBZPIUFPR-MNOVXSKESA-N 0 3 271.365 -1.741 20 0 CAADHN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CN2CCN1CCC2 ZINC000529777900 269094079 /nfs/dbraw/zinc/09/40/79/269094079.db2.gz WLMWCLGLIURWGK-OUAUKWLOSA-N 0 3 282.344 -2.177 20 0 CAADHN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000529777906 269094262 /nfs/dbraw/zinc/09/42/62/269094262.db2.gz WLMWCLGLIURWGK-VWYCJHECSA-N 0 3 282.344 -2.177 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C)C(=O)C2)CC1=O ZINC000530582403 269094500 /nfs/dbraw/zinc/09/45/00/269094500.db2.gz JETJPVXRFKGXTK-LLVKDONJSA-N 0 3 296.371 -1.303 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000530279942 269094604 /nfs/dbraw/zinc/09/46/04/269094604.db2.gz FWWWKRMKRXSRGA-XNDJQWLSSA-N 0 3 255.318 -1.003 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnnn2C)CC1 ZINC000532222240 269095569 /nfs/dbraw/zinc/09/55/69/269095569.db2.gz LCWRPBCKMIFXBR-SNVBAGLBSA-N 0 3 279.348 -1.047 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000531821185 269095627 /nfs/dbraw/zinc/09/56/27/269095627.db2.gz JILRAUQQFYIEHK-PSASIEDQSA-N 0 3 292.343 -1.024 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1cn(CC(N)=O)nn1 ZINC000531821186 269095730 /nfs/dbraw/zinc/09/57/30/269095730.db2.gz JILRAUQQFYIEHK-SCZZXKLOSA-N 0 3 292.343 -1.024 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnnn2C)CC1 ZINC000532222196 269096032 /nfs/dbraw/zinc/09/60/32/269096032.db2.gz LCWRPBCKMIFXBR-JTQLQIEISA-N 0 3 279.348 -1.047 20 0 CAADHN CNS(=O)(=O)[C@H]1CCN(CCCC(=O)NC(N)=O)C1 ZINC000532757901 269096399 /nfs/dbraw/zinc/09/63/99/269096399.db2.gz HGIKZAXMXRGSLI-QMMMGPOBSA-N 0 3 292.361 -1.415 20 0 CAADHN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001196826831 782041951 /nfs/dbraw/zinc/04/19/51/782041951.db2.gz KPCAJKSCLMKOGX-MVWJERBFSA-N 0 3 282.344 -1.258 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001197034481 782045638 /nfs/dbraw/zinc/04/56/38/782045638.db2.gz PIEMBADRZZNACM-RKDXNWHRSA-N 0 3 269.305 -1.384 20 0 CAADHN CCOCCN1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001197034085 782046152 /nfs/dbraw/zinc/04/61/52/782046152.db2.gz FGTNMIJWTBDPEW-RKDXNWHRSA-N 0 3 269.305 -1.384 20 0 CAADHN CCOCCN1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197034085 782046156 /nfs/dbraw/zinc/04/61/56/782046156.db2.gz FGTNMIJWTBDPEW-RKDXNWHRSA-N 0 3 269.305 -1.384 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCC[C@@H]1C(N)=O ZINC000514947654 274023715 /nfs/dbraw/zinc/02/37/15/274023715.db2.gz GYXNZWQGOVKWGT-WDEREUQCSA-N 0 3 259.350 -1.125 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197155783 782048851 /nfs/dbraw/zinc/04/88/51/782048851.db2.gz OPZSESSWZIQFLU-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN CCN1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)[C@@H](C)C1=O ZINC000420070705 276188313 /nfs/dbraw/zinc/18/83/13/276188313.db2.gz WZQBPNOTUNZZDU-ONGXEEELSA-N 0 3 296.371 -1.081 20 0 CAADHN CCN1CCN(C(=O)C(=O)N[C@H](C)CN)[C@H](C)C1=O ZINC000420015211 276188511 /nfs/dbraw/zinc/18/85/11/276188511.db2.gz PXPBFIYZHQOFKB-RKDXNWHRSA-N 0 3 270.333 -1.471 20 0 CAADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C1 ZINC000435705122 276247021 /nfs/dbraw/zinc/24/70/21/276247021.db2.gz HFQFWZLUJSVQFY-WDEREUQCSA-N 0 3 287.360 -1.084 20 0 CAADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435705122 276247022 /nfs/dbraw/zinc/24/70/22/276247022.db2.gz HFQFWZLUJSVQFY-WDEREUQCSA-N 0 3 287.360 -1.084 20 0 CAADHN CCCN1CCCN(C(=O)C(=O)N[C@H](C)CN)CC1=O ZINC000419994691 276258041 /nfs/dbraw/zinc/25/80/41/276258041.db2.gz HBNDAPDLXQGOLN-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CCN1CCCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1=O ZINC000420072896 276366319 /nfs/dbraw/zinc/36/63/19/276366319.db2.gz ZXCGVMCYCRUNHW-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CCN1CCN(C(=O)C(=O)N[C@H](C)CN)[C@@H](C)C1=O ZINC000420015210 276380147 /nfs/dbraw/zinc/38/01/47/276380147.db2.gz PXPBFIYZHQOFKB-BDAKNGLRSA-N 0 3 270.333 -1.471 20 0 CAADHN CN(C)C[C@H]1CN(C(=O)[C@H]2CNCCO2)CCO1 ZINC000424180940 276805481 /nfs/dbraw/zinc/80/54/81/276805481.db2.gz QAZVRCJLAQFWNK-WDEREUQCSA-N 0 3 257.334 -1.236 20 0 CAADHN CN(C1CNC1)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000090289995 276909925 /nfs/dbraw/zinc/90/99/25/276909925.db2.gz KMWOEEXHPBKHGH-UHFFFAOYSA-N 0 3 288.329 -2.324 20 0 CAADHN CN1C[C@@H](NC(=O)C(=O)N2CCCC[C@@H]2CN)CC1=O ZINC000418807710 276977920 /nfs/dbraw/zinc/97/79/20/276977920.db2.gz QARPVPRLRTWMHA-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCNC(=O)C1 ZINC000331195542 277008254 /nfs/dbraw/zinc/00/82/54/277008254.db2.gz SBFCVVYXPSXJKL-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC000331195541 277013234 /nfs/dbraw/zinc/01/32/34/277013234.db2.gz SBFCVVYXPSXJKL-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN COC(=O)[C@@H]1CNC(=O)CN1C(=O)/C=C\CN(C)C ZINC000492668666 277101153 /nfs/dbraw/zinc/10/11/53/277101153.db2.gz CKUYKHAIOWRPLI-WBSSQXGSSA-N 0 3 269.301 -1.396 20 0 CAADHN CN1C[C@@H](NC(=O)C(=O)N2CCCC[C@H]2CN)CC1=O ZINC000418807709 277192505 /nfs/dbraw/zinc/19/25/05/277192505.db2.gz QARPVPRLRTWMHA-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN COCCNCC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186682791 277229211 /nfs/dbraw/zinc/22/92/11/277229211.db2.gz OCMREDDBMVEYBP-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000420183384 277229857 /nfs/dbraw/zinc/22/98/57/277229857.db2.gz LRNVSXZZXSNLJS-GFCCVEGCSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)[C@H](C)CN(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000081556330 277247980 /nfs/dbraw/zinc/24/79/80/277247980.db2.gz KGXGOLSPGFRVHI-SECBINFHSA-N 0 3 282.344 -1.102 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000419190886 277570915 /nfs/dbraw/zinc/57/09/15/277570915.db2.gz MCLICBLXUJJVBW-DTWKUNHWSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H]1NC(=O)CC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC000333371902 278046843 /nfs/dbraw/zinc/04/68/43/278046843.db2.gz ZECWVJHCYJZTJG-DTWKUNHWSA-N 0 3 268.317 -1.799 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000425055291 278094683 /nfs/dbraw/zinc/09/46/83/278094683.db2.gz HGZNKCXPEWNSJM-NWDGAFQWSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000103945192 278094850 /nfs/dbraw/zinc/09/48/50/278094850.db2.gz CPZKZIPKTXELFO-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCN[C@@H](C)[C@H]1C ZINC000434705157 278095045 /nfs/dbraw/zinc/09/50/45/278095045.db2.gz DQLJDZJZAKOUFT-DTWKUNHWSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000356358229 278095540 /nfs/dbraw/zinc/09/55/40/278095540.db2.gz XOMNOUMAWVUEHG-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN COC[C@H](O)CNCCNS(=O)(=O)c1cccnc1 ZINC000575248896 335088804 /nfs/dbraw/zinc/08/88/04/335088804.db2.gz XMGWPGOXWXISRQ-SNVBAGLBSA-N 0 3 289.357 -1.043 20 0 CAADHN CC(=O)NCCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358658052 278101515 /nfs/dbraw/zinc/10/15/15/278101515.db2.gz FLBLEYXQISYTFJ-GFCCVEGCSA-N 0 3 272.349 -1.122 20 0 CAADHN C[C@@](CN)(NC(=O)CN1CCS(=O)(=O)CC1)C1CC1 ZINC000429232949 278115027 /nfs/dbraw/zinc/11/50/27/278115027.db2.gz CGEISANWNDTLPK-LBPRGKRZSA-N 0 3 289.401 -1.040 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N(C)[C@@H]1CCCN(C)C1)C(N)=O ZINC000346375893 278130349 /nfs/dbraw/zinc/13/03/49/278130349.db2.gz CFUBKZDFNFYVFY-MNOVXSKESA-N 0 3 284.360 -1.081 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N(C)CCN1CCCC1)C(N)=O ZINC000345801204 278130474 /nfs/dbraw/zinc/13/04/74/278130474.db2.gz UJWGCJGHJPPSQG-NSHDSACASA-N 0 3 284.360 -1.079 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N(C)[C@H]1CCCN(C)C1)C(N)=O ZINC000346375895 278130662 /nfs/dbraw/zinc/13/06/62/278130662.db2.gz CFUBKZDFNFYVFY-QWRGUYRKSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(=O)N[C@H](CC(=O)N(C)[C@@H]1CCCN(C)C1)C(N)=O ZINC000346375882 278167512 /nfs/dbraw/zinc/16/75/12/278167512.db2.gz CFUBKZDFNFYVFY-GHMZBOCLSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(=O)N[C@H](CC(=O)N(C)[C@H]1CCCN(C)C1)C(N)=O ZINC000346375896 278167812 /nfs/dbraw/zinc/16/78/12/278167812.db2.gz CFUBKZDFNFYVFY-WDEREUQCSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COCCN1)CN1CCN(C)CC1 ZINC000431002987 278206873 /nfs/dbraw/zinc/20/68/73/278206873.db2.gz FCGIFHYEJGIAAO-CHWSQXEVSA-N 0 3 284.404 -1.026 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N1CCNC(=O)[C@H]1C)N(C)C1CC1 ZINC000342099729 278268409 /nfs/dbraw/zinc/26/84/09/278268409.db2.gz BULFGLBWEOKJDU-VHSXEESVSA-N 0 3 296.371 -1.068 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332658384 278319543 /nfs/dbraw/zinc/31/95/43/278319543.db2.gz OYYUOUQEUNLRLD-QWRGUYRKSA-N 0 3 294.355 -1.360 20 0 CAADHN C[C@@H](O)CN(CCO)CCN1C(=O)NC(C)(C)C1=O ZINC000311909996 278394046 /nfs/dbraw/zinc/39/40/46/278394046.db2.gz HFKZWJBVCXHPHT-SECBINFHSA-N 0 3 273.333 -1.008 20 0 CAADHN CCCN1CCCN(C(=O)C(=O)N(C)CCN)CC1=O ZINC000423539542 278806028 /nfs/dbraw/zinc/80/60/28/278806028.db2.gz OWZZPEAGLVJPRS-UHFFFAOYSA-N 0 3 284.360 -1.126 20 0 CAADHN CC(C)CN1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1=O ZINC000420031231 278886386 /nfs/dbraw/zinc/88/63/86/278886386.db2.gz RGBMTXMSWOIGBM-JTQLQIEISA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](CNC(=O)C(=O)N1CCNC(=O)[C@@H]1C)N(C)C1CC1 ZINC000342099733 279325287 /nfs/dbraw/zinc/32/52/87/279325287.db2.gz BULFGLBWEOKJDU-ZJUUUORDSA-N 0 3 296.371 -1.068 20 0 CAADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NC1CNC1 ZINC000515465293 280221321 /nfs/dbraw/zinc/22/13/21/280221321.db2.gz UJSYJROXIGBRRJ-SNVBAGLBSA-N 0 3 282.344 -1.456 20 0 CAADHN CNC(=O)NC(=O)CCN1CCC(OC)(OC)[C@@H](O)C1 ZINC001197317874 782052176 /nfs/dbraw/zinc/05/21/76/782052176.db2.gz YBJAFRAQCWFOQA-VIFPVBQESA-N 0 3 289.332 -1.112 20 0 CAADHN CC[C@@H]1CN(C(=O)CNC(=O)CN)CCN1C[C@H](C)O ZINC000262377410 280350045 /nfs/dbraw/zinc/35/00/45/280350045.db2.gz JVBSBXKLJORRDK-WDEREUQCSA-N 0 3 286.376 -1.635 20 0 CAADHN CC[C@@H]1CN(C(=O)[C@H](N)CC(N)=O)CCN1C[C@H](C)O ZINC000438885216 280375988 /nfs/dbraw/zinc/37/59/88/280375988.db2.gz SNCMNAVQEHVUOI-HBNTYKKESA-N 0 3 286.376 -1.507 20 0 CAADHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H](N)CC(N)=O ZINC000227456784 288303147 /nfs/dbraw/zinc/30/31/47/288303147.db2.gz RGXAFLFTFANGJI-BBBLOLIVSA-N 0 3 254.334 -1.116 20 0 CAADHN CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424144290 281911524 /nfs/dbraw/zinc/91/15/24/281911524.db2.gz LAZCBUQYNDVAKU-MNOVXSKESA-N 0 3 268.361 -1.044 20 0 CAADHN C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCNC(=O)C1 ZINC000420044143 288863394 /nfs/dbraw/zinc/86/33/94/288863394.db2.gz SOMGTUOCUDZJKC-DTWKUNHWSA-N 0 3 298.343 -1.826 20 0 CAADHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)Cn1cnnn1 ZINC000330704488 289036553 /nfs/dbraw/zinc/03/65/53/289036553.db2.gz JSVIJZNBVSIARX-NXEZZACHSA-N 0 3 268.321 -1.413 20 0 CAADHN CN(C)C/C=C\C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 ZINC000492722793 289039832 /nfs/dbraw/zinc/03/98/32/289039832.db2.gz VNHDWDQNEWWEEL-QMAVJUDZSA-N 0 3 298.387 -1.251 20 0 CAADHN CN(C)C/C=C\C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC000491962180 289040889 /nfs/dbraw/zinc/04/08/89/289040889.db2.gz JKVXYKQOVWNWOK-TUUFMJSCSA-N 0 3 254.290 -1.149 20 0 CAADHN CN(C)C1(CNC(=O)C(=O)N2CCNC(=O)C2)CCC1 ZINC000354668730 289043205 /nfs/dbraw/zinc/04/32/05/289043205.db2.gz AQJIYXJOHPQGRQ-UHFFFAOYSA-N 0 3 282.344 -1.455 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCn2ncnn2)CC1=O ZINC000433965872 289157053 /nfs/dbraw/zinc/15/70/53/289157053.db2.gz DZHXBHOPPXOAKY-JTQLQIEISA-N 0 3 295.347 -1.801 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCC(N)=O)CC1=O ZINC000266913077 289159112 /nfs/dbraw/zinc/15/91/12/289159112.db2.gz TUCCALPGCZFZIM-SECBINFHSA-N 0 3 270.333 -1.612 20 0 CAADHN CN(CC(=O)N1CCOCC1)C(=O)C[C@H]1CNCCO1 ZINC000430197360 289463349 /nfs/dbraw/zinc/46/33/49/289463349.db2.gz VALFTOVWDQWGRP-NSHDSACASA-N 0 3 285.344 -1.318 20 0 CAADHN CN(CC(=O)NCCNc1ccncc1)S(C)(=O)=O ZINC000344696619 289477823 /nfs/dbraw/zinc/47/78/23/289477823.db2.gz UKSLZBBJHNAELC-UHFFFAOYSA-N 0 3 286.357 -1.077 20 0 CAADHN CN1CCN(CCNS(N)(=O)=O)CC1(C)C ZINC000442594884 290043764 /nfs/dbraw/zinc/04/37/64/290043764.db2.gz MRRQABTZJGSSHA-UHFFFAOYSA-N 0 3 250.368 -1.195 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCCNS(C)(=O)=O)C1 ZINC000358659343 290182764 /nfs/dbraw/zinc/18/27/64/290182764.db2.gz GRQNONZZWIEYDO-SNVBAGLBSA-N 0 3 294.377 -2.099 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCCNS(C)(=O)=O)C1 ZINC000358659339 290245370 /nfs/dbraw/zinc/24/53/70/290245370.db2.gz GRQNONZZWIEYDO-JTQLQIEISA-N 0 3 294.377 -2.099 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1C[C@@H]1N ZINC000424148246 290559221 /nfs/dbraw/zinc/55/92/21/290559221.db2.gz ZQGYTPRZQWVOJT-VGMNWLOBSA-N 0 3 268.317 -1.813 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](CNS(C)(=O)=O)C1 ZINC001197573823 782055961 /nfs/dbraw/zinc/05/59/61/782055961.db2.gz OROJIOPCJPPUGA-ZJUUUORDSA-N 0 3 266.363 -1.135 20 0 CAADHN COCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001197644420 782056851 /nfs/dbraw/zinc/05/68/51/782056851.db2.gz MZHNSYMBZBDZDG-GHMZBOCLSA-N 0 3 297.359 -1.065 20 0 CAADHN COCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001197644420 782056865 /nfs/dbraw/zinc/05/68/65/782056865.db2.gz MZHNSYMBZBDZDG-GHMZBOCLSA-N 0 3 297.359 -1.065 20 0 CAADHN CO[C@@H](CN)C(=O)NCCCn1nc2n(c1=O)CCCC2 ZINC000353176690 293516445 /nfs/dbraw/zinc/51/64/45/293516445.db2.gz YJDUNZRQHZSPSR-JTQLQIEISA-N 0 3 297.359 -1.139 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)C[C@H]1OC ZINC000423637227 293803513 /nfs/dbraw/zinc/80/35/13/293803513.db2.gz BXSQYLHGSHXZBU-GMTAPVOTSA-N 0 3 285.344 -1.192 20 0 CAADHN COC[C@@H](O)CN1CCCN(C(=O)Cn2cncn2)CC1 ZINC001198046586 782060405 /nfs/dbraw/zinc/06/04/05/782060405.db2.gz MHBLXJLTFVWMCD-LBPRGKRZSA-N 0 3 297.359 -1.180 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001198021294 782060668 /nfs/dbraw/zinc/06/06/68/782060668.db2.gz WLYALNTUKRFCIW-GRYCIOLGSA-N 0 3 298.387 -1.622 20 0 CAADHN CO[C@H]1C[C@@H](NC(=O)C(=O)N(CCN)CCO)C12CCC2 ZINC000418980851 294623509 /nfs/dbraw/zinc/62/35/09/294623509.db2.gz FUEMKGQTBPNLGA-MNOVXSKESA-N 0 3 299.371 -1.160 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001198021295 782061644 /nfs/dbraw/zinc/06/16/44/782061644.db2.gz WLYALNTUKRFCIW-IJLUTSLNSA-N 0 3 298.387 -1.622 20 0 CAADHN NC(=O)NCCC(=O)N1CCCN(CCCO)CC1 ZINC001198058360 782061744 /nfs/dbraw/zinc/06/17/44/782061744.db2.gz MCFLNLXAPXRNSC-UHFFFAOYSA-N 0 3 272.349 -1.039 20 0 CAADHN COC[C@H](O)CN1CCCN(C(=O)Cn2cncn2)CC1 ZINC001198046584 782062509 /nfs/dbraw/zinc/06/25/09/782062509.db2.gz MHBLXJLTFVWMCD-GFCCVEGCSA-N 0 3 297.359 -1.180 20 0 CAADHN NCCNC(=O)CNC1=NS(=O)(=O)c2ccccc21 ZINC000237873213 295233461 /nfs/dbraw/zinc/23/34/61/295233461.db2.gz AKZGTCRTCZIGRC-UHFFFAOYSA-N 0 3 282.325 -1.200 20 0 CAADHN NC[C@H]1CCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000429654141 295269149 /nfs/dbraw/zinc/26/91/49/295269149.db2.gz JGAUTNNXQAHFNR-SNVBAGLBSA-N 0 3 275.374 -1.334 20 0 CAADHN CCN(CCO)CCNC(=O)CN(C)C(=O)COC ZINC000347790456 528531212 /nfs/dbraw/zinc/53/12/12/528531212.db2.gz DLIQCQFUXNPKML-UHFFFAOYSA-N 0 3 275.349 -1.478 20 0 CAADHN CCOC(=O)NCC(=O)NC[C@]1(O)CCN(C)C1 ZINC000495443081 529039639 /nfs/dbraw/zinc/03/96/39/529039639.db2.gz PAGQCXXJRCEEEP-LLVKDONJSA-N 0 3 259.306 -1.085 20 0 CAADHN NCC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000376581240 303367178 /nfs/dbraw/zinc/36/71/78/303367178.db2.gz NNKYHYRCEBQSPY-NEPJUHHUSA-N 0 3 298.387 -1.179 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421155 782064699 /nfs/dbraw/zinc/06/46/99/782064699.db2.gz TVRGZKKFCRAHKP-SSDOTTSWSA-N 0 3 297.319 -2.783 20 0 CAADHN NS(=O)(=O)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000091309782 303440553 /nfs/dbraw/zinc/44/05/53/303440553.db2.gz QCCOXKGUSHWAPK-VIFPVBQESA-N 0 3 292.361 -2.287 20 0 CAADHN NC(=O)Cn1cc(C(=O)NCCN[C@H]2CCNC2=O)nn1 ZINC001152414556 782064496 /nfs/dbraw/zinc/06/44/96/782064496.db2.gz BDJIVXSCEMUXKT-ZETCQYMHSA-N 0 3 295.303 -3.029 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H](CO)CN1CCCCC1 ZINC000352851262 303647851 /nfs/dbraw/zinc/64/78/51/303647851.db2.gz ASSSGKDWGNCFJL-ZJUUUORDSA-N 0 3 298.343 -1.453 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198508884 782067340 /nfs/dbraw/zinc/06/73/40/782067340.db2.gz ZLCPCZXHXRNZBO-IVZWLZJFSA-N 0 3 298.343 -1.454 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198473995 782067465 /nfs/dbraw/zinc/06/74/65/782067465.db2.gz NOHONXRUWVTEPX-NXEZZACHSA-N 0 3 288.348 -1.757 20 0 CAADHN O=S1(=O)CC[C@@H](CNC[C@H](O)CN2CCOCC2)C1 ZINC000037982409 304793802 /nfs/dbraw/zinc/79/38/02/304793802.db2.gz IFEPBBOFPSHVFV-RYUDHWBXSA-N 0 3 292.401 -1.296 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)N2CCC2)CCC1=O ZINC001152517424 782072194 /nfs/dbraw/zinc/07/21/94/782072194.db2.gz VCVLQEYVHWDMRQ-LLVKDONJSA-N 0 3 296.371 -1.207 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCC(=O)N(C)C2)C1=O ZINC001152510810 782072328 /nfs/dbraw/zinc/07/23/28/782072328.db2.gz XDYJRXORPKEPRK-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@H]2CCCNC2=O)CCC1=O ZINC001152523066 782073169 /nfs/dbraw/zinc/07/31/69/782073169.db2.gz SHWLIUFGUABVKA-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CSCN3)CCN2C1=O ZINC000583641755 328724875 /nfs/dbraw/zinc/72/48/75/328724875.db2.gz BBNVOFMAWCCWKU-YIZRAAEISA-N 0 3 270.358 -1.581 20 0 CAADHN CCCNS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000570740025 327615622 /nfs/dbraw/zinc/61/56/22/327615622.db2.gz HPAPWGCHJZTFFG-BDAKNGLRSA-N 0 3 276.362 -1.525 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000570803244 327620310 /nfs/dbraw/zinc/62/03/10/327620310.db2.gz LGXCVBLFTRJHSI-SCZZXKLOSA-N 0 3 253.302 -1.288 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1O ZINC001199105009 782075349 /nfs/dbraw/zinc/07/53/49/782075349.db2.gz YKCOSZZVPGMBLG-GMTAPVOTSA-N 0 3 286.376 -1.638 20 0 CAADHN CCOCCOCC(=O)NCCNCC(=O)N1CCC1 ZINC001152564927 782075607 /nfs/dbraw/zinc/07/56/07/782075607.db2.gz PIACRLOGYQYTPG-UHFFFAOYSA-N 0 3 287.360 -1.022 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001199103996 782074290 /nfs/dbraw/zinc/07/42/90/782074290.db2.gz HSGGJHKNVNALAL-NXEZZACHSA-N 0 3 272.349 -2.027 20 0 CAADHN COCC(=O)N1CCCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001199592071 782083972 /nfs/dbraw/zinc/08/39/72/782083972.db2.gz UQIXOUNTRCVJHO-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(=O)NC(=O)CNC[C@H]1CN(C(=O)C2CC2)CCCO1 ZINC001199633311 782084120 /nfs/dbraw/zinc/08/41/20/782084120.db2.gz GIKVICACWUGJFW-JTQLQIEISA-N 0 3 298.343 -1.202 20 0 CAADHN COCC(=O)N1CCCO[C@H](CNCC(=O)N(C)C)C1 ZINC001199589549 782083731 /nfs/dbraw/zinc/08/37/31/782083731.db2.gz BEVMIDYHJVTZHH-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN COCCN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000574907252 327638140 /nfs/dbraw/zinc/63/81/40/327638140.db2.gz JCABKHIQKJYQFY-UHFFFAOYSA-N 0 3 270.333 -2.135 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)CCOC)CCCO1 ZINC001199653185 782083885 /nfs/dbraw/zinc/08/38/85/782083885.db2.gz LNUAPKJGZBGRCY-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CN1CCN(c2ccncc2C(=O)NC[C@@H](O)CO)CC1 ZINC001199360943 782079653 /nfs/dbraw/zinc/07/96/53/782079653.db2.gz OHGLODHNIBLKLZ-LLVKDONJSA-N 0 3 294.355 -1.084 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H]1CN(C(=O)C2CC2)CCCO1 ZINC001199633313 782084382 /nfs/dbraw/zinc/08/43/82/782084382.db2.gz GIKVICACWUGJFW-SNVBAGLBSA-N 0 3 298.343 -1.202 20 0 CAADHN CCC(=O)N1CCCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001199609309 782084402 /nfs/dbraw/zinc/08/44/02/782084402.db2.gz BTBXNFOSLDJIPT-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN COCC(=O)N1CCCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001199592076 782084546 /nfs/dbraw/zinc/08/45/46/782084546.db2.gz UQIXOUNTRCVJHO-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)COC)CCCO1 ZINC001199601192 782084562 /nfs/dbraw/zinc/08/45/62/782084562.db2.gz QDWQXBWHBKWJIC-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)COC)CCCO1 ZINC001199601187 782084588 /nfs/dbraw/zinc/08/45/88/782084588.db2.gz QDWQXBWHBKWJIC-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C[C@H](C)O1 ZINC000580708897 327688751 /nfs/dbraw/zinc/68/87/51/327688751.db2.gz NZEFLJNQOSGVIU-TUAOUCFPSA-N 0 3 298.387 -1.277 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@H]1CNCCO1 ZINC000562981572 327733374 /nfs/dbraw/zinc/73/33/74/327733374.db2.gz UTPYOPQPKVZRNW-SECBINFHSA-N 0 3 259.306 -1.804 20 0 CAADHN COC[C@H](O)CNCCNS(=O)(=O)NC(C)C ZINC000563002594 327741774 /nfs/dbraw/zinc/74/17/74/327741774.db2.gz HPNHGRRMHDGNDW-SECBINFHSA-N 0 3 269.367 -1.584 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@@H]1O ZINC000580260240 327750447 /nfs/dbraw/zinc/75/04/47/327750447.db2.gz LGJFXBRSLBGZGN-IUCAKERBSA-N 0 3 284.316 -1.986 20 0 CAADHN CCOC(=O)[C@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000582052965 327822220 /nfs/dbraw/zinc/82/22/20/327822220.db2.gz WKTMYVBLAMHSMB-VIFPVBQESA-N 0 3 283.328 -1.124 20 0 CAADHN COCCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001199654113 782084977 /nfs/dbraw/zinc/08/49/77/782084977.db2.gz SKDWGIXUHAKPRI-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN COCCO[C@@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000582112366 327871110 /nfs/dbraw/zinc/87/11/10/327871110.db2.gz GAAVPTBXNBXUPA-LLVKDONJSA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C[C@@H]1CNCCO1 ZINC000567909874 327953055 /nfs/dbraw/zinc/95/30/55/327953055.db2.gz XZBDNBRCCKQUIO-SCVCMEIPSA-N 0 3 286.328 -1.110 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000570983518 327969775 /nfs/dbraw/zinc/96/97/75/327969775.db2.gz QJCCXNQDPGZCTE-IUCAKERBSA-N 0 3 258.322 -1.561 20 0 CAADHN CN(C)S(=O)(=O)N(C)CC(=O)N1CCNC(C)(C)C1 ZINC000563245059 327996362 /nfs/dbraw/zinc/99/63/62/327996362.db2.gz JMCMDTSNVLZNMQ-UHFFFAOYSA-N 0 3 292.405 -1.065 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CCN(CCO)CC1 ZINC000534268990 328042849 /nfs/dbraw/zinc/04/28/49/328042849.db2.gz PILFIMJRNXIRJD-CYBMUJFWSA-N 0 3 282.388 -1.487 20 0 CAADHN O=c1n(CCNC(CO)CO)nc2ccccn21 ZINC000563361747 328058742 /nfs/dbraw/zinc/05/87/42/328058742.db2.gz PJTVIPDHGUKCHK-UHFFFAOYSA-N 0 3 252.274 -1.561 20 0 CAADHN CCN1CCC(NC(=O)C(=O)N2CCN(C)C(=O)C2)CC1 ZINC000563347129 328056456 /nfs/dbraw/zinc/05/64/56/328056456.db2.gz AWWKGQQGCHSWCR-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN N[C@H]1C[C@H]2CN(S(=O)(=O)CC3CC3)CCN2C1=O ZINC000563440703 328065477 /nfs/dbraw/zinc/06/54/77/328065477.db2.gz JNPICIOXSQOYFR-UWVGGRQHSA-N 0 3 273.358 -1.030 20 0 CAADHN N[C@@H]1C[C@H]2CN(CC(=O)NCC(F)(F)F)CCN2C1=O ZINC000563442530 328066760 /nfs/dbraw/zinc/06/67/60/328066760.db2.gz REENGMRFAXLROF-JGVFFNPUSA-N 0 3 294.277 -1.091 20 0 CAADHN CN1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1=O ZINC000563459298 328068005 /nfs/dbraw/zinc/06/80/05/328068005.db2.gz YIYSRIYSKDKAIG-BBBLOLIVSA-N 0 3 295.343 -1.830 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@H]2CCCO2)[C@H](CN)C1 ZINC000563628120 328078504 /nfs/dbraw/zinc/07/85/04/328078504.db2.gz NBZFPCWDRZYHKY-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC(=O)N1 ZINC000571073547 328084017 /nfs/dbraw/zinc/08/40/17/328084017.db2.gz KUUPTEVOZCXQLQ-NXEZZACHSA-N 0 3 297.359 -2.565 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC(=O)N1 ZINC000571073549 328084122 /nfs/dbraw/zinc/08/41/22/328084122.db2.gz KUUPTEVOZCXQLQ-VHSXEESVSA-N 0 3 297.359 -2.565 20 0 CAADHN O=C(CCN1CC[C@@H]2OCCN[C@@H]2C1)N1CCNCC1 ZINC000571095195 328085221 /nfs/dbraw/zinc/08/52/21/328085221.db2.gz FYADONMOAWJGQJ-OLZOCXBDSA-N 0 3 282.388 -1.129 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCn2c(n[nH]c2=O)C1 ZINC000571104817 328085963 /nfs/dbraw/zinc/08/59/63/328085963.db2.gz UEJNBQVWQBCSOJ-SNVBAGLBSA-N 0 3 285.348 -1.262 20 0 CAADHN CO[C@@H]1COC[C@H]1NCCN1C(=O)N[C@@H](C)C1=O ZINC000571203369 328092193 /nfs/dbraw/zinc/09/21/93/328092193.db2.gz BTXQGKYROUMVOP-DJLDLDEBSA-N 0 3 257.290 -1.070 20 0 CAADHN CN1CCOC[C@H]1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000571177588 328089941 /nfs/dbraw/zinc/08/99/41/328089941.db2.gz OFALPYOIMFGANO-JSGCOSHPSA-N 0 3 283.372 -1.110 20 0 CAADHN CN1CCN(S(=O)(=O)C[C@@H]2CCOC2)[C@H](CN)C1 ZINC000571215144 328092513 /nfs/dbraw/zinc/09/25/13/328092513.db2.gz ZERZIMAFZVOVPV-GHMZBOCLSA-N 0 3 277.390 -1.073 20 0 CAADHN COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C)C2)O1 ZINC000571252072 328094600 /nfs/dbraw/zinc/09/46/00/328094600.db2.gz YQVWGTFZVPQNAS-OPQQBVKSSA-N 0 3 286.328 -1.110 20 0 CAADHN COCCN(CCN(C)C)C(=O)C1(S(N)(=O)=O)CC1 ZINC000583697832 329072866 /nfs/dbraw/zinc/07/28/66/329072866.db2.gz ZUKLNTVYXBMCPL-UHFFFAOYSA-N 0 3 293.389 -1.156 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN(CC2CC2)CC1 ZINC000571388605 328118527 /nfs/dbraw/zinc/11/85/27/328118527.db2.gz OXXWWQLNOGONQV-UHFFFAOYSA-N 0 3 266.345 -1.371 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1C(=O)Cn1ncn(C)c1=O ZINC000571443484 328122254 /nfs/dbraw/zinc/12/22/54/328122254.db2.gz FKCNEHNNIWYMEC-DTWKUNHWSA-N 0 3 253.306 -1.209 20 0 CAADHN C[C@@H]1NCCN(C(=O)Cn2ncn(C)c2=O)[C@H]1C ZINC000571443485 328122327 /nfs/dbraw/zinc/12/23/27/328122327.db2.gz FKCNEHNNIWYMEC-IUCAKERBSA-N 0 3 253.306 -1.209 20 0 CAADHN CN(C)CCn1ccc(C(=O)NC[C@](C)(O)CO)n1 ZINC000575760705 328122917 /nfs/dbraw/zinc/12/29/17/328122917.db2.gz WIKAMNGITJSUDC-LBPRGKRZSA-N 0 3 270.333 -1.082 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)CNC[C@H]3CCCO3)CCN2C1=O ZINC000575763592 328123323 /nfs/dbraw/zinc/12/33/23/328123323.db2.gz WPBWWIUHKSVPOJ-QJPTWQEYSA-N 0 3 296.371 -1.475 20 0 CAADHN COC(=O)C[C@H](NC(=O)C[C@@H]1CNCCO1)C(=O)OC ZINC000430247547 533703687 /nfs/dbraw/zinc/70/36/87/533703687.db2.gz ZVFBIGQJFQDDJC-BDAKNGLRSA-N 0 3 288.300 -1.414 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CC[C@H](CO)[C@H](O)C1 ZINC000571559742 328133946 /nfs/dbraw/zinc/13/39/46/328133946.db2.gz VYHBJYGSCBEAOZ-CKYFFXLPSA-N 0 3 261.318 -1.024 20 0 CAADHN COC(=O)C[C@H](NC(=O)C[C@H]1CNCCO1)C(=O)OC ZINC000430247549 533703824 /nfs/dbraw/zinc/70/38/24/533703824.db2.gz ZVFBIGQJFQDDJC-IUCAKERBSA-N 0 3 288.300 -1.414 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)CNCC(=O)NCCO)C[C@H](C)O1 ZINC000571643010 328180641 /nfs/dbraw/zinc/18/06/41/328180641.db2.gz WVAOKTVYVOOJEN-TUAOUCFPSA-N 0 3 289.376 -1.845 20 0 CAADHN CCOCC(=O)N1CCCO[C@H](CNCC(=O)NC)C1 ZINC001199754149 782086193 /nfs/dbraw/zinc/08/61/93/782086193.db2.gz XJPXWYYZKZWPJM-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C2=COCCO2)CCCO1 ZINC001199744731 782086421 /nfs/dbraw/zinc/08/64/21/782086421.db2.gz OSPORJHZUKCTDH-SNVBAGLBSA-N 0 3 299.327 -1.433 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cnccn2)CCCO1 ZINC001199725024 782086861 /nfs/dbraw/zinc/08/68/61/782086861.db2.gz QVYWLPYIWHFXCI-JTQLQIEISA-N 0 3 293.327 -1.217 20 0 CAADHN NC(=O)NCC(=O)N1CCCO[C@H](CNCCF)C1 ZINC001199810851 782087371 /nfs/dbraw/zinc/08/73/71/782087371.db2.gz KSPREGCPCAIMTF-SECBINFHSA-N 0 3 276.312 -1.169 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cn2cnnn2)CCCO1 ZINC001199788525 782087647 /nfs/dbraw/zinc/08/76/47/782087647.db2.gz YSRLYQPQLRQVHE-VIFPVBQESA-N 0 3 297.319 -2.635 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CNC(N)=O)CCCO1 ZINC001199811991 782087690 /nfs/dbraw/zinc/08/76/90/782087690.db2.gz PTSMDFOPNDHBCC-QMMMGPOBSA-N 0 3 287.320 -2.653 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](NC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000582971924 329296539 /nfs/dbraw/zinc/29/65/39/329296539.db2.gz CYIUZOMOPRTJED-DJLDLDEBSA-N 0 3 279.337 -1.164 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]c2)CCCO1 ZINC001199922846 782088864 /nfs/dbraw/zinc/08/88/64/782088864.db2.gz KNZHJMXWCQYDSL-LLVKDONJSA-N 0 3 295.343 -1.024 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cc[nH]n2)CCCO1 ZINC001199903871 782089353 /nfs/dbraw/zinc/08/93/53/782089353.db2.gz KKJWDKGQLPKPHR-SECBINFHSA-N 0 3 281.316 -1.284 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ccn[nH]2)CCCO1 ZINC001199903871 782089357 /nfs/dbraw/zinc/08/93/57/782089357.db2.gz KKJWDKGQLPKPHR-SECBINFHSA-N 0 3 281.316 -1.284 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC/C=C/CNC(=O)COC ZINC001273791590 782089774 /nfs/dbraw/zinc/08/97/74/782089774.db2.gz VDHMWDABDMWYFU-XNPJLODASA-N 0 3 286.332 -1.261 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cnns2)CCCO1 ZINC001199955906 782090080 /nfs/dbraw/zinc/09/00/80/782090080.db2.gz BFIRBOIWAFPAJA-QMMMGPOBSA-N 0 3 299.356 -1.156 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ccon2)CCCO1 ZINC001199968217 782090607 /nfs/dbraw/zinc/09/06/07/782090607.db2.gz SBOPLBLKYBVESO-VIFPVBQESA-N 0 3 282.300 -1.019 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCCO1 ZINC001200020334 782090639 /nfs/dbraw/zinc/09/06/39/782090639.db2.gz PEQJNCQGBKZGTQ-GHMZBOCLSA-N 0 3 285.344 -1.285 20 0 CAADHN CO[C@@H](C)C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001199978847 782090700 /nfs/dbraw/zinc/09/07/00/782090700.db2.gz XKYKWQNCNAAUNK-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)OC)CCCO1 ZINC001199976591 782091295 /nfs/dbraw/zinc/09/12/95/782091295.db2.gz GHCUSZKFNKRYSJ-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCOC2)CCCO1 ZINC001200020337 782091421 /nfs/dbraw/zinc/09/14/21/782091421.db2.gz PEQJNCQGBKZGTQ-QWRGUYRKSA-N 0 3 285.344 -1.285 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ccon2)CCCO1 ZINC001199968216 782091475 /nfs/dbraw/zinc/09/14/75/782091475.db2.gz SBOPLBLKYBVESO-SECBINFHSA-N 0 3 282.300 -1.019 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCCO1 ZINC001200164321 782092940 /nfs/dbraw/zinc/09/29/40/782092940.db2.gz HGZVPSOFFSLXIO-LLVKDONJSA-N 0 3 295.343 -1.355 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001200143778 782093783 /nfs/dbraw/zinc/09/37/83/782093783.db2.gz HCVSHNWXNZGRGP-SECBINFHSA-N 0 3 286.332 -2.185 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001200143794 782093380 /nfs/dbraw/zinc/09/33/80/782093380.db2.gz HMJQQTBWMFFCOH-QMMMGPOBSA-N 0 3 272.305 -2.446 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCN(C)C2=O)n(C)c1=O ZINC001152712251 782093933 /nfs/dbraw/zinc/09/39/33/782093933.db2.gz LQNWWBYPTNWZBX-VIFPVBQESA-N 0 3 295.343 -1.726 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CC(N)=O)CCCO1 ZINC001200143787 782094294 /nfs/dbraw/zinc/09/42/94/782094294.db2.gz HMJQQTBWMFFCOH-MRVPVSSYSA-N 0 3 272.305 -2.446 20 0 CAADHN CNC(=O)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000535003078 328374769 /nfs/dbraw/zinc/37/47/69/328374769.db2.gz LVSQMLBPJMHOKI-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCCC(=O)N3)CCN2C1=O ZINC000567063345 328496040 /nfs/dbraw/zinc/49/60/40/328496040.db2.gz VUDLZERXOCZCLL-GMTAPVOTSA-N 0 3 294.355 -1.184 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1=O ZINC000575323844 335093612 /nfs/dbraw/zinc/09/36/12/335093612.db2.gz HAVGTDPFXWNALD-SECBINFHSA-N 0 3 284.316 -2.608 20 0 CAADHN COC[C@H](C)OC[C@@H](O)CNCCS(=O)(=O)N(C)C ZINC000405407209 328581883 /nfs/dbraw/zinc/58/18/83/328581883.db2.gz UUHLEOGGPURWAP-QWRGUYRKSA-N 0 3 298.405 -1.120 20 0 CAADHN CN[C@@H](C)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000583510125 328589151 /nfs/dbraw/zinc/58/91/51/328589151.db2.gz HSLLEHYKUJHJJM-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CN(C)C[C@@H](CO)NC[C@H](O)CN1CCOCC1 ZINC000580431385 330131213 /nfs/dbraw/zinc/13/12/13/330131213.db2.gz KMCKLFDYHNUSBH-RYUDHWBXSA-N 0 3 261.366 -1.808 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C[C@@H]1O ZINC000584003315 326847005 /nfs/dbraw/zinc/84/70/05/326847005.db2.gz BCALBSJKDYZXOF-VWYCJHECSA-N 0 3 284.360 -1.090 20 0 CAADHN CC[C@@H](N)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000584051613 326907983 /nfs/dbraw/zinc/90/79/83/326907983.db2.gz HSDYLZOKCGJWEG-SNVBAGLBSA-N 0 3 272.349 -1.712 20 0 CAADHN CCOC(=O)CN(C)C(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000584061705 326912882 /nfs/dbraw/zinc/91/28/82/326912882.db2.gz SMKORUNRYYSSIO-QWRGUYRKSA-N 0 3 287.360 -1.385 20 0 CAADHN CO[C@]1(C(=O)N[C@@H](C)C(=O)NCCN(C)C)CCOC1 ZINC000556904862 326981445 /nfs/dbraw/zinc/98/14/45/326981445.db2.gz MYQSNISKURDRNX-GXFFZTMASA-N 0 3 287.360 -1.026 20 0 CAADHN CSC[C@@H](C)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000557295477 327000673 /nfs/dbraw/zinc/00/06/73/327000673.db2.gz KVEHKXRHTMIKEH-ZJUUUORDSA-N 0 3 288.417 -1.045 20 0 CAADHN C[C@@H](CN1CCOCC1)N(C)C(=O)C(=O)NC1CNC1 ZINC000557297489 327000924 /nfs/dbraw/zinc/00/09/24/327000924.db2.gz UEUXBLPLZIEGRG-JTQLQIEISA-N 0 3 284.360 -1.747 20 0 CAADHN C[C@@H]1COCCN1CCNC[C@H](O)CN1CCOCC1 ZINC000564843531 327006523 /nfs/dbraw/zinc/00/65/23/327006523.db2.gz ADMGKLUUDRBMLD-KGLIPLIRSA-N 0 3 287.404 -1.010 20 0 CAADHN C[C@H]1COCCN1CCNC[C@@H](O)CN1CCOCC1 ZINC000564843536 327006614 /nfs/dbraw/zinc/00/66/14/327006614.db2.gz ADMGKLUUDRBMLD-UONOGXRCSA-N 0 3 287.404 -1.010 20 0 CAADHN CC[N@H+](C)C[C@@H](O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000575999890 327007472 /nfs/dbraw/zinc/00/74/72/327007472.db2.gz OBAGOYBNFQWMDD-ZJUUUORDSA-N 0 3 270.333 -1.465 20 0 CAADHN CC[N@@H+](C)C[C@@H](O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000575999890 327007474 /nfs/dbraw/zinc/00/74/74/327007474.db2.gz OBAGOYBNFQWMDD-ZJUUUORDSA-N 0 3 270.333 -1.465 20 0 CAADHN CN1CCN(C(=O)CSCC(N)=O)[C@@H](CN)C1 ZINC000584112016 327009645 /nfs/dbraw/zinc/00/96/45/327009645.db2.gz IQLIBBOYWYNFIO-QMMMGPOBSA-N 0 3 260.363 -1.694 20 0 CAADHN CN(CCC(=O)N[C@@H](CO)C(N)=O)c1ccncc1 ZINC000557520990 327011864 /nfs/dbraw/zinc/01/18/64/327011864.db2.gz INFHGDRFWSSPRN-JTQLQIEISA-N 0 3 266.301 -1.130 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000568760435 327014702 /nfs/dbraw/zinc/01/47/02/327014702.db2.gz JAUHBXQIMJKALU-DTWKUNHWSA-N 0 3 299.356 -1.410 20 0 CAADHN NC(=O)CCNCCNS(=O)(=O)c1cccnc1 ZINC000564852407 327016394 /nfs/dbraw/zinc/01/63/94/327016394.db2.gz LJWMOONNXDCKPA-UHFFFAOYSA-N 0 3 272.330 -1.175 20 0 CAADHN NCC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000568884393 327022849 /nfs/dbraw/zinc/02/28/49/327022849.db2.gz NKZNSJAYBYAPQP-SNVBAGLBSA-N 0 3 254.334 -1.385 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)Cn3cccn3)CCN2C1=O ZINC000584124884 327043645 /nfs/dbraw/zinc/04/36/45/327043645.db2.gz TZPYDFFMJRWBJG-NXEZZACHSA-N 0 3 263.301 -1.347 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)Cn3cccn3)CCN2C1=O ZINC000584124885 327043744 /nfs/dbraw/zinc/04/37/44/327043744.db2.gz TZPYDFFMJRWBJG-UWVGGRQHSA-N 0 3 263.301 -1.347 20 0 CAADHN COC(=O)[C@]1(C)CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000584162901 327053747 /nfs/dbraw/zinc/05/37/47/327053747.db2.gz ASJLKYPODAZDDL-CYBMUJFWSA-N 0 3 283.328 -1.124 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000584171876 327056773 /nfs/dbraw/zinc/05/67/73/327056773.db2.gz KFIHGVPDFNJNKK-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@@H](NC(=O)CN1CCCNC1=O)C(=O)NCCN(C)C ZINC000584182073 327061377 /nfs/dbraw/zinc/06/13/77/327061377.db2.gz QLVONILVYVTLRL-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)CNC1CC1 ZINC000564446733 327087075 /nfs/dbraw/zinc/08/70/75/327087075.db2.gz SNEJNQBNJACXDN-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN C[C@H](NC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1)C(=O)N(C)C ZINC000584239685 327109739 /nfs/dbraw/zinc/10/97/39/327109739.db2.gz JBGXBFADHXYAAG-DCAQKATOSA-N 0 3 286.376 -1.814 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000566016502 327116191 /nfs/dbraw/zinc/11/61/91/327116191.db2.gz GUTQTNRVORLWPU-DTWKUNHWSA-N 0 3 276.362 -1.797 20 0 CAADHN CNC(=O)NC(=O)CN1CCNC[C@H]1C(F)F ZINC000564452289 327117770 /nfs/dbraw/zinc/11/77/70/327117770.db2.gz FBTZXEBUKWRYHD-LURJTMIESA-N 0 3 250.249 -1.019 20 0 CAADHN C[C@H](NC(=O)C1(CO)COC1)C(=O)NCCN(C)C ZINC000584241911 327125469 /nfs/dbraw/zinc/12/54/69/327125469.db2.gz ZRVWSZGDNYYQSE-VIFPVBQESA-N 0 3 273.333 -1.822 20 0 CAADHN COCCCN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000566091877 327132678 /nfs/dbraw/zinc/13/26/78/327132678.db2.gz MBAKRGQOCINTGL-NSHDSACASA-N 0 3 286.376 -1.417 20 0 CAADHN CNC(=O)CN1CCN(C(=O)COC2CNC2)CC1 ZINC000564909016 327135316 /nfs/dbraw/zinc/13/53/16/327135316.db2.gz GNTDTGRAARQTNW-UHFFFAOYSA-N 0 3 270.333 -2.135 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CO[C@@H](C)C2)n1 ZINC000566161869 327151776 /nfs/dbraw/zinc/15/17/76/327151776.db2.gz IUHIWYLQPHCJSR-VHSXEESVSA-N 0 3 296.375 -1.049 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CO[C@H](C)C2)n1 ZINC000566161870 327151809 /nfs/dbraw/zinc/15/18/09/327151809.db2.gz IUHIWYLQPHCJSR-ZJUUUORDSA-N 0 3 296.375 -1.049 20 0 CAADHN CC(C(=O)N[C@H]1CC(=O)N(C)C1=O)S(C)(=O)=O ZINC000559276423 327153035 /nfs/dbraw/zinc/15/30/35/327153035.db2.gz GTYYLIKEXKIIDB-WDSKDSINSA-N 0 3 262.287 -1.707 20 0 CAADHN NCC(F)(F)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569471552 327182953 /nfs/dbraw/zinc/18/29/53/327182953.db2.gz BIHHGRYQAATNCS-JGVFFNPUSA-N 0 3 291.302 -1.466 20 0 CAADHN CN1CC[C@H]2OCCN(C(=O)COC3CNC3)[C@H]2C1 ZINC000569487689 327185601 /nfs/dbraw/zinc/18/56/01/327185601.db2.gz RQKWIKFYHHFVPH-NWDGAFQWSA-N 0 3 269.345 -1.094 20 0 CAADHN C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)[C@@H](C)CN1 ZINC000572599884 327197037 /nfs/dbraw/zinc/19/70/37/327197037.db2.gz SWOQWXQVPHJQDP-IUCAKERBSA-N 0 3 253.306 -1.209 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN(CCO)[C@H](C)C1 ZINC000573622109 327243433 /nfs/dbraw/zinc/24/34/33/327243433.db2.gz XOWLWFIJTQAXNR-ZIAGYGMSSA-N 0 3 289.420 -1.076 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCO[C@@H](C(N)=O)C1 ZINC000559637455 327256003 /nfs/dbraw/zinc/25/60/03/327256003.db2.gz KVRHUWCCZRFXGS-GHMZBOCLSA-N 0 3 275.349 -1.888 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCO[C@H](C(N)=O)C1 ZINC000559637496 327256108 /nfs/dbraw/zinc/25/61/08/327256108.db2.gz KVRHUWCCZRFXGS-QWRGUYRKSA-N 0 3 275.349 -1.888 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCC(F)(F)C2)[C@H](CN)C1 ZINC000573912314 327271613 /nfs/dbraw/zinc/27/16/13/327271613.db2.gz AZZNUUYFJBLIFX-SECBINFHSA-N 0 3 290.314 -1.045 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCC(F)(F)C2)[C@@H](CN)C1 ZINC000573912315 327271625 /nfs/dbraw/zinc/27/16/25/327271625.db2.gz AZZNUUYFJBLIFX-VIFPVBQESA-N 0 3 290.314 -1.045 20 0 CAADHN CN1CCN(C(=O)c2ccc(C(N)=O)nc2)[C@H](CN)C1 ZINC000574038016 327283822 /nfs/dbraw/zinc/28/38/22/327283822.db2.gz QXGFJMRDWULQQN-SNVBAGLBSA-N 0 3 277.328 -1.105 20 0 CAADHN N[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(F)(F)F ZINC000577963736 327291267 /nfs/dbraw/zinc/29/12/67/327291267.db2.gz MHVHBLMTBAUTJX-RRKCRQDMSA-N 0 3 280.250 -1.354 20 0 CAADHN NC(C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(F)(F)F ZINC000577963736 327291268 /nfs/dbraw/zinc/29/12/68/327291268.db2.gz MHVHBLMTBAUTJX-RRKCRQDMSA-N 0 3 280.250 -1.354 20 0 CAADHN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000566300429 327293790 /nfs/dbraw/zinc/29/37/90/327293790.db2.gz KWBBFSQVHWCVAX-NXEZZACHSA-N 0 3 292.405 -1.632 20 0 CAADHN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000566300432 327293802 /nfs/dbraw/zinc/29/38/02/327293802.db2.gz KWBBFSQVHWCVAX-ZJUUUORDSA-N 0 3 292.405 -1.632 20 0 CAADHN O=C(CN1CCOCC1=O)NC[C@@H]1CCCCN1CCO ZINC000560325533 327299326 /nfs/dbraw/zinc/29/93/26/327299326.db2.gz RJFIIFKBPMPOMG-LBPRGKRZSA-N 0 3 299.371 -1.192 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CNC(CO)CO)C[C@H](C)O1 ZINC000564976113 327303230 /nfs/dbraw/zinc/30/32/30/327303230.db2.gz QPXXGZRMNSWGLQ-JFGNBEQYSA-N 0 3 262.350 -1.601 20 0 CAADHN COC(=O)C[C@@H]1CN(C(=O)[C@@H](CN)OC)CCO1 ZINC000574274154 327306704 /nfs/dbraw/zinc/30/67/04/327306704.db2.gz JXUZGWJQOZOOKG-RKDXNWHRSA-N 0 3 260.290 -1.249 20 0 CAADHN CN(C)S(=O)(=O)N(C)CC(=O)NC[C@@H]1CCCN1C ZINC000582126117 327316879 /nfs/dbraw/zinc/31/68/79/327316879.db2.gz RFZPFUMOSPMCOL-JTQLQIEISA-N 0 3 292.405 -1.065 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000560564738 327325186 /nfs/dbraw/zinc/32/51/86/327325186.db2.gz VQUILCBRFPONBY-OPRDCNLKSA-N 0 3 285.344 -1.022 20 0 CAADHN O=C(C(=O)N1CCNC(=O)C1)N1CC[C@H](N2CCCC2)C1 ZINC000560615096 327330637 /nfs/dbraw/zinc/33/06/37/327330637.db2.gz UUDZGGZXKVZQKZ-NSHDSACASA-N 0 3 294.355 -1.359 20 0 CAADHN CC(=O)NCCN(C)C(=O)C(=O)N1CCCC[C@H]1CN ZINC000583381233 327334936 /nfs/dbraw/zinc/33/49/36/327334936.db2.gz BRWBSUGHKOLEJH-NSHDSACASA-N 0 3 284.360 -1.079 20 0 CAADHN CCCN(C)CC(=O)NCCNS(=O)(=O)N(C)C ZINC000566404914 327346671 /nfs/dbraw/zinc/34/66/71/327346671.db2.gz WJDZHDMRDSHJKD-UHFFFAOYSA-N 0 3 280.394 -1.160 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N1CCN(C)C(=O)C1)N(C)C1CC1 ZINC000566411965 327349784 /nfs/dbraw/zinc/34/97/84/327349784.db2.gz ONERTNQRELYWBR-JTQLQIEISA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@H](CN[C@H](CO)CN1CCOCC1)S(C)(=O)=O ZINC000578770499 327351370 /nfs/dbraw/zinc/35/13/70/327351370.db2.gz UFMXTZIHRZQBSU-MNOVXSKESA-N 0 3 280.390 -1.298 20 0 CAADHN CN(C)[C@H]1CN(CC(=O)NCC(=O)N2CCCC2)C[C@@H]1O ZINC000566425064 327358988 /nfs/dbraw/zinc/35/89/88/327358988.db2.gz RXVJMEMTHYMMNM-RYUDHWBXSA-N 0 3 298.387 -1.668 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC000566452659 327372683 /nfs/dbraw/zinc/37/26/83/327372683.db2.gz NGIFBDDPZBZCDF-VWYCJHECSA-N 0 3 269.345 -1.012 20 0 CAADHN CCN1C[C@H](NC(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000561217830 327376626 /nfs/dbraw/zinc/37/66/26/327376626.db2.gz SCDNAMYQRDRMMV-GHMZBOCLSA-N 0 3 283.376 -1.109 20 0 CAADHN CCN1C[C@H](NC(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000561217831 327376678 /nfs/dbraw/zinc/37/66/78/327376678.db2.gz SCDNAMYQRDRMMV-MNOVXSKESA-N 0 3 283.376 -1.109 20 0 CAADHN CN1C[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000561230952 327377626 /nfs/dbraw/zinc/37/76/26/327377626.db2.gz TWXCYEOAWBNSGW-ZJUUUORDSA-N 0 3 297.359 -2.565 20 0 CAADHN CN1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000561230949 327377647 /nfs/dbraw/zinc/37/76/47/327377647.db2.gz TWXCYEOAWBNSGW-UWVGGRQHSA-N 0 3 297.359 -2.565 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CC(NC(C)=O)C1 ZINC000566480697 327391759 /nfs/dbraw/zinc/39/17/59/327391759.db2.gz BETUKGCXOFUNAS-GFCCVEGCSA-N 0 3 259.350 -1.254 20 0 CAADHN CCCNC(=O)NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566494498 327398904 /nfs/dbraw/zinc/39/89/04/327398904.db2.gz ABIJYRONMVFECU-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN CCCNC(=O)NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566494501 327398926 /nfs/dbraw/zinc/39/89/26/327398926.db2.gz ABIJYRONMVFECU-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN CCCNC(=O)NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566494499 327398939 /nfs/dbraw/zinc/39/89/39/327398939.db2.gz ABIJYRONMVFECU-VHSXEESVSA-N 0 3 297.359 -1.534 20 0 CAADHN CCOCCS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566497437 327399850 /nfs/dbraw/zinc/39/98/50/327399850.db2.gz ZQOKEEGDGSYKRL-UWVGGRQHSA-N 0 3 291.373 -1.404 20 0 CAADHN CSCC[C@H](N)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000564724714 327434196 /nfs/dbraw/zinc/43/41/96/327434196.db2.gz BCKDLJRIDPAWLU-JTQLQIEISA-N 0 3 288.417 -1.043 20 0 CAADHN COCCOC1CN(C(=O)C(=O)NC2CNC2)C1 ZINC000580706199 327441443 /nfs/dbraw/zinc/44/14/43/327441443.db2.gz KEJKUSUWMLCMGZ-UHFFFAOYSA-N 0 3 257.290 -2.052 20 0 CAADHN CNCC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000572600871 327451762 /nfs/dbraw/zinc/45/17/62/327451762.db2.gz QMVLJQARQCDCSG-NSHDSACASA-N 0 3 268.361 -1.124 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CCCCO2)[C@@H](CN)C1 ZINC000562821332 327516739 /nfs/dbraw/zinc/51/67/39/327516739.db2.gz OAZXBHGHAKCHHU-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN CNC(=O)NC1CN(C(=O)C(=O)NC2CNC2)C1 ZINC000562827557 327517324 /nfs/dbraw/zinc/51/73/24/327517324.db2.gz BNAGAXDWNOBDTK-UHFFFAOYSA-N 0 3 255.278 -2.786 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000562828751 327517864 /nfs/dbraw/zinc/51/78/64/327517864.db2.gz HSVUHZHZXJJZLI-UHFFFAOYSA-N 0 3 266.301 -2.092 20 0 CAADHN CCN(CC)C(=O)CCCNC(=O)C(=O)NC1CNC1 ZINC000569912508 327555422 /nfs/dbraw/zinc/55/54/22/327555422.db2.gz BRVMHOCUNCMBRT-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CN1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1=O ZINC000570583392 327602020 /nfs/dbraw/zinc/60/20/20/327602020.db2.gz GIIRAXGYVXRZED-GUBZILKMSA-N 0 3 295.343 -1.830 20 0 CAADHN CN1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1=O ZINC000570583393 327602105 /nfs/dbraw/zinc/60/21/05/327602105.db2.gz GIIRAXGYVXRZED-UTLUCORTSA-N 0 3 295.343 -1.830 20 0 CAADHN CN1CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1=O ZINC000570583390 327602165 /nfs/dbraw/zinc/60/21/65/327602165.db2.gz GIIRAXGYVXRZED-AEJSXWLSSA-N 0 3 295.343 -1.830 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)[C@H](C)NC)CC1 ZINC000054074978 328685416 /nfs/dbraw/zinc/68/54/16/328685416.db2.gz QRHKEPHGLLBNSC-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN Cn1cnc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)c1 ZINC001200249005 782094925 /nfs/dbraw/zinc/09/49/25/782094925.db2.gz HGWLNLJMDUJYTF-JTQLQIEISA-N 0 3 295.343 -1.274 20 0 CAADHN O=C(NCCOC(F)(F)F)C(=O)NC1CNC1 ZINC000583683584 328901220 /nfs/dbraw/zinc/90/12/20/328901220.db2.gz SCGAGNAWZRZOQN-UHFFFAOYSA-N 0 3 255.196 -1.273 20 0 CAADHN CCN1C[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1=O ZINC000391597300 328979676 /nfs/dbraw/zinc/97/96/76/328979676.db2.gz DQAFTHRQTUPLAE-CABZTGNLSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)(NS(C)(=O)=O)C(=O)NC[C@H]1CNCCO1 ZINC000583692991 329003635 /nfs/dbraw/zinc/00/36/35/329003635.db2.gz SUTRIPIHWZSYFJ-MRVPVSSYSA-N 0 3 279.362 -1.581 20 0 CAADHN O=C(CNC[C@H](O)CN1CCOCC1)NCC1CC1 ZINC000393052566 329066485 /nfs/dbraw/zinc/06/64/85/329066485.db2.gz LYXBZNGOSQJATH-LBPRGKRZSA-N 0 3 271.361 -1.205 20 0 CAADHN O=C(CNC[C@@H](O)CN1CCOCC1)NCC1CC1 ZINC000393052562 329066487 /nfs/dbraw/zinc/06/64/87/329066487.db2.gz LYXBZNGOSQJATH-GFCCVEGCSA-N 0 3 271.361 -1.205 20 0 CAADHN CC(CO)(CO)CNC[C@H](O)CN1CCOCC1 ZINC000393867618 329090534 /nfs/dbraw/zinc/09/05/34/329090534.db2.gz ZMTCDBKGTLCMEO-NSHDSACASA-N 0 3 262.350 -1.740 20 0 CAADHN CC(CO)(CO)CNC[C@@H](O)CN1CCOCC1 ZINC000393867617 329090537 /nfs/dbraw/zinc/09/05/37/329090537.db2.gz ZMTCDBKGTLCMEO-LLVKDONJSA-N 0 3 262.350 -1.740 20 0 CAADHN COCCNC(=O)CNC(=O)c1ccn(CCN(C)C)n1 ZINC000583702070 329093560 /nfs/dbraw/zinc/09/35/60/329093560.db2.gz IZHOJFOZKZSXCF-UHFFFAOYSA-N 0 3 297.359 -1.063 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000394424736 329119457 /nfs/dbraw/zinc/11/94/57/329119457.db2.gz PUZQOVPQIKAEQX-VIFPVBQESA-N 0 3 273.362 -1.398 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)[C@H]1CN2CCN1CCC2 ZINC000582668045 329122158 /nfs/dbraw/zinc/12/21/58/329122158.db2.gz KKESKIYAVVCWRW-IJLUTSLNSA-N 0 3 269.345 -1.094 20 0 CAADHN CN(C)CCN1C(=O)C[C@@H](N2CCn3nncc3C2)C1=O ZINC000582673816 329123248 /nfs/dbraw/zinc/12/32/48/329123248.db2.gz DVAPJHBSDGDVPK-LLVKDONJSA-N 0 3 292.343 -1.217 20 0 CAADHN C[C@H](CN1CCOCC1)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582677421 329127245 /nfs/dbraw/zinc/12/72/45/329127245.db2.gz PWQRXXIYSDIIIQ-JHJVBQTASA-N 0 3 282.388 -1.049 20 0 CAADHN C[C@H](CN1CCOCC1)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582677422 329127423 /nfs/dbraw/zinc/12/74/23/329127423.db2.gz PWQRXXIYSDIIIQ-UPJWGTAASA-N 0 3 282.388 -1.049 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000582723288 329130581 /nfs/dbraw/zinc/13/05/81/329130581.db2.gz CTYAZZDFDXBVBT-RITPCOANSA-N 0 3 269.223 -1.151 20 0 CAADHN C[C@H](NC(=O)CN1CN=NC1=O)C(=O)NCCN(C)C ZINC000582736151 329133966 /nfs/dbraw/zinc/13/39/66/329133966.db2.gz SUUFCCOICCRSBR-QMMMGPOBSA-N 0 3 284.320 -1.834 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCNc1ccncc1 ZINC000583031516 329305211 /nfs/dbraw/zinc/30/52/11/329305211.db2.gz QFGKRKUCQXOBCG-UHFFFAOYSA-N 0 3 287.345 -1.915 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000583154226 329323699 /nfs/dbraw/zinc/32/36/99/329323699.db2.gz WRDKYOQOPNYWTI-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000583154228 329323798 /nfs/dbraw/zinc/32/37/98/329323798.db2.gz WRDKYOQOPNYWTI-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN CN(C)[C@H]1CN(CCN2C(=O)CNC2=O)C[C@@H]1O ZINC000584389102 329324287 /nfs/dbraw/zinc/32/42/87/329324287.db2.gz MTLBTQGUYNTOJV-IUCAKERBSA-N 0 3 256.306 -1.855 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC[C@H](CO)[C@@H](O)C1 ZINC000583211928 329368312 /nfs/dbraw/zinc/36/83/12/329368312.db2.gz HODAKMPINNDAEW-AGIUHOORSA-N 0 3 276.377 -1.399 20 0 CAADHN CC(C)n1nnnc1CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583215022 329370499 /nfs/dbraw/zinc/37/04/99/329370499.db2.gz LNHHBWUVNZSGTM-UWVGGRQHSA-N 0 3 279.348 -1.002 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)NCCN1CCCC1=O ZINC000583328092 329453053 /nfs/dbraw/zinc/45/30/53/329453053.db2.gz SKSOWUVGHZMTFB-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN COC[C@H](NC(=O)C[C@@H]1CNCCO1)C(=O)OC ZINC000584409790 329459744 /nfs/dbraw/zinc/45/97/44/329459744.db2.gz RACWGMJRKOKXAB-BDAKNGLRSA-N 0 3 260.290 -1.331 20 0 CAADHN CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000584419762 329465133 /nfs/dbraw/zinc/46/51/33/329465133.db2.gz PHPFGYMWSPLASG-USZNOCQGSA-N 0 3 285.344 -1.899 20 0 CAADHN COCCNCCNC(=O)CS(=O)(=O)N(C)C ZINC000583752014 329473229 /nfs/dbraw/zinc/47/32/29/329473229.db2.gz MOBUWLICJKHSTP-UHFFFAOYSA-N 0 3 267.351 -1.770 20 0 CAADHN CC[C@@H](N)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000583813446 329482053 /nfs/dbraw/zinc/48/20/53/329482053.db2.gz SFEJPKFEDJEDMR-HTQZYQBOSA-N 0 3 257.290 -1.386 20 0 CAADHN CC(C)(CNC(=O)C(=O)NC1CNC1)N1CCOCC1 ZINC000584519843 329509949 /nfs/dbraw/zinc/50/99/49/329509949.db2.gz HHBIALNNMXAERC-UHFFFAOYSA-N 0 3 284.360 -1.699 20 0 CAADHN O=C(Cn1ccccc1=O)NC[C@@H]1CNCCO1 ZINC000584528972 329513243 /nfs/dbraw/zinc/51/32/43/329513243.db2.gz IRZXGYPDEUQVLM-JTQLQIEISA-N 0 3 251.286 -1.047 20 0 CAADHN COCCNCCNC(=O)CCNS(C)(=O)=O ZINC000584528585 329513259 /nfs/dbraw/zinc/51/32/59/329513259.db2.gz DLHTWZWCFASSCL-UHFFFAOYSA-N 0 3 267.351 -1.722 20 0 CAADHN CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000580413419 329558545 /nfs/dbraw/zinc/55/85/45/329558545.db2.gz VIKYFXJZBYCEKW-TUAOUCFPSA-N 0 3 298.387 -1.229 20 0 CAADHN CC(=O)NCCN[C@@H]1CC(=O)N(CCN(C)C)C1=O ZINC000571696624 329910471 /nfs/dbraw/zinc/91/04/71/329910471.db2.gz FZUCZQLMGCVHEQ-SNVBAGLBSA-N 0 3 270.333 -1.599 20 0 CAADHN O=C(CN1CCCNC1=O)NC[C@]1(O)CN2CCC1CC2 ZINC000571775416 329920093 /nfs/dbraw/zinc/92/00/93/329920093.db2.gz VMDOYPPQIGHWMY-AWEZNQCLSA-N 0 3 296.371 -1.025 20 0 CAADHN CCOC(=O)C[C@@H](C)N(C)C(=O)C(=O)NC1CNC1 ZINC000571778121 329920300 /nfs/dbraw/zinc/92/03/00/329920300.db2.gz UAEKHXVDXBSWBB-MRVPVSSYSA-N 0 3 271.317 -1.126 20 0 CAADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CNC[C@H](O)CO ZINC000571954938 329931726 /nfs/dbraw/zinc/93/17/26/329931726.db2.gz RPIUCPMNPMRWJA-ZJUUUORDSA-N 0 3 294.307 -1.414 20 0 CAADHN CN(C)[C@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@@H]1O ZINC000571961506 329933405 /nfs/dbraw/zinc/93/34/05/329933405.db2.gz VWLPNRUVKGGJMG-IUCAKERBSA-N 0 3 293.389 -1.553 20 0 CAADHN COC[C@H](O)CN[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000572115285 329945809 /nfs/dbraw/zinc/94/58/09/329945809.db2.gz ZYVIHKYQVWLMFI-GHMZBOCLSA-N 0 3 295.405 -1.146 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)C(=O)NCCN(C)C ZINC000572178381 329952346 /nfs/dbraw/zinc/95/23/46/329952346.db2.gz OEHRHAPHYGUBOH-ZJUUUORDSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)NCCN(C)C ZINC000572178378 329952360 /nfs/dbraw/zinc/95/23/60/329952360.db2.gz OEHRHAPHYGUBOH-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000162379549 330005968 /nfs/dbraw/zinc/00/59/68/330005968.db2.gz GBWJVZRZDYKWST-JTQLQIEISA-N 0 3 292.405 -1.631 20 0 CAADHN CN(C[C@@H]1CCC[C@@H]1O)C(=O)C(=O)NC1CNC1 ZINC000572382660 330035822 /nfs/dbraw/zinc/03/58/22/330035822.db2.gz ZPNGWRREJGENPL-WPRPVWTQSA-N 0 3 255.318 -1.306 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000162507185 330063388 /nfs/dbraw/zinc/06/33/88/330063388.db2.gz QFFAMILNAGJXPN-NWDGAFQWSA-N 0 3 270.377 -1.192 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CC(=O)NC[C@H]3CCCO3)CCN2C1=O ZINC000572424244 330067676 /nfs/dbraw/zinc/06/76/76/330067676.db2.gz AVOGWMPMOPFYPK-IJLUTSLNSA-N 0 3 296.371 -1.475 20 0 CAADHN CN1CCN(C(=O)CN2CSCC2=O)[C@@H](CN)C1 ZINC000162655865 330101345 /nfs/dbraw/zinc/10/13/45/330101345.db2.gz ZAXTXJQRHHDTRQ-VIFPVBQESA-N 0 3 272.374 -1.379 20 0 CAADHN CN(C)[C@H]1CN(C(=O)C2(S(N)(=O)=O)CC2)C[C@@H]1O ZINC000580447378 330140264 /nfs/dbraw/zinc/14/02/64/330140264.db2.gz GHIMLHMTSVEGIZ-YUMQZZPRSA-N 0 3 277.346 -2.059 20 0 CAADHN CO[C@@H](CN)C(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000575741452 335110654 /nfs/dbraw/zinc/11/06/54/335110654.db2.gz WXTVBCKJQROOCK-BDAKNGLRSA-N 0 3 279.362 -1.500 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NCc2cc[nH]n2)n1 ZINC000553278525 334373174 /nfs/dbraw/zinc/37/31/74/334373174.db2.gz WFELOZWXFFQMIW-UHFFFAOYSA-N 0 3 292.347 -1.303 20 0 CAADHN CN(C)c1noc(CNC(=O)COC2CNC2)n1 ZINC000566195687 334634931 /nfs/dbraw/zinc/63/49/31/334634931.db2.gz IBXWHVYSCVGCRY-UHFFFAOYSA-N 0 3 255.278 -1.260 20 0 CAADHN CCOC[C@@H](O)CN[C@H]1CCCN(CCO)C1=O ZINC000566232220 334637536 /nfs/dbraw/zinc/63/75/36/334637536.db2.gz ZRSDAEHYLYEZDY-QWRGUYRKSA-N 0 3 260.334 -1.043 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000566232017 334637544 /nfs/dbraw/zinc/63/75/44/334637544.db2.gz IUKVZYBHWOSEOP-JTQLQIEISA-N 0 3 299.375 -1.382 20 0 CAADHN CCOC(=O)C[C@H](CO)NCCC(=O)NC(N)=O ZINC000566233034 334637546 /nfs/dbraw/zinc/63/75/46/334637546.db2.gz GMLLWMFKPQJGHL-SSDOTTSWSA-N 0 3 261.278 -1.525 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)CO1 ZINC000566236355 334637548 /nfs/dbraw/zinc/63/75/48/334637548.db2.gz CKSQZWMXBXEKFB-GMTAPVOTSA-N 0 3 284.360 -1.619 20 0 CAADHN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)COC1CNC1 ZINC000566249774 334638837 /nfs/dbraw/zinc/63/88/37/334638837.db2.gz KTZVTFLHXLGMEY-MWLCHTKSSA-N 0 3 272.301 -1.500 20 0 CAADHN COC[C@H](C)S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566496982 334652680 /nfs/dbraw/zinc/65/26/80/334652680.db2.gz WDDCXRWNTRDDQZ-GUBZILKMSA-N 0 3 291.373 -1.405 20 0 CAADHN COC[C@H](C)S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566496983 334652788 /nfs/dbraw/zinc/65/27/88/334652788.db2.gz WDDCXRWNTRDDQZ-IVZWLZJFSA-N 0 3 291.373 -1.405 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)NC3CCCC3)CCN2C1=O ZINC000566808780 334665196 /nfs/dbraw/zinc/66/51/96/334665196.db2.gz ZXXQNSQTERXNNK-GHMZBOCLSA-N 0 3 294.355 -1.184 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)CN3CCOCC3)CCN2C1=O ZINC000569001661 334850680 /nfs/dbraw/zinc/85/06/80/334850680.db2.gz HJWFJPOVGLHIRQ-WDEREUQCSA-N 0 3 282.344 -1.911 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)CNC[C@H]3CCCO3)CCN2C1=O ZINC000575763591 335113495 /nfs/dbraw/zinc/11/34/95/335113495.db2.gz WPBWWIUHKSVPOJ-IJLUTSLNSA-N 0 3 296.371 -1.475 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCCO1 ZINC001200547098 782095279 /nfs/dbraw/zinc/09/52/79/782095279.db2.gz MFZQAGCTGTVIDQ-MJVIPROJSA-N 0 3 297.355 -1.285 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000516643468 333079949 /nfs/dbraw/zinc/07/99/49/333079949.db2.gz MRSCHFZTSUATJY-HLTSFMKQSA-N 0 3 261.347 -1.126 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)C[C@@H]2CNCCO2)CCO1 ZINC000516780393 333082460 /nfs/dbraw/zinc/08/24/60/333082460.db2.gz AHMWVHHIXDAIGD-NXEZZACHSA-N 0 3 272.301 -1.235 20 0 CAADHN O=C(CN1CN=NC1=O)NC[C@]1(O)CN2CCC1CC2 ZINC000565199087 333126605 /nfs/dbraw/zinc/12/66/05/333126605.db2.gz ZRACTWLANONBPT-LBPRGKRZSA-N 0 3 281.316 -1.443 20 0 CAADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@H]1CNC(=O)C1 ZINC000575880245 335127784 /nfs/dbraw/zinc/12/77/84/335127784.db2.gz OAIHLEUJEVRVGL-TVQRCGJNSA-N 0 3 267.329 -1.305 20 0 CAADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1CNC(=O)C1 ZINC000575880246 335127798 /nfs/dbraw/zinc/12/77/98/335127798.db2.gz OAIHLEUJEVRVGL-ZANVPECISA-N 0 3 267.329 -1.305 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000173205704 335129708 /nfs/dbraw/zinc/12/97/08/335129708.db2.gz CCAMLCNBLQIPNH-LLVKDONJSA-N 0 3 296.371 -1.257 20 0 CAADHN COC(=O)C[C@@H]1CN(C(=O)COC2CNC2)CCO1 ZINC000575920724 335131059 /nfs/dbraw/zinc/13/10/59/335131059.db2.gz LNMQGJYCHFABIN-SECBINFHSA-N 0 3 272.301 -1.235 20 0 CAADHN CN[C@H](C)C(=O)NCCNC(=O)c1cnccn1 ZINC000575934047 335133303 /nfs/dbraw/zinc/13/33/03/335133303.db2.gz BGJFGKWRDOIISX-MRVPVSSYSA-N 0 3 251.290 -1.070 20 0 CAADHN CN[C@@H](C)C(=O)NCCNC(=O)c1cnccn1 ZINC000575934048 335133401 /nfs/dbraw/zinc/13/34/01/335133401.db2.gz BGJFGKWRDOIISX-QMMMGPOBSA-N 0 3 251.290 -1.070 20 0 CAADHN Cn1cnc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)n1 ZINC001200436451 782095676 /nfs/dbraw/zinc/09/56/76/782095676.db2.gz PMYQSZAESVXJJH-VIFPVBQESA-N 0 3 296.331 -1.879 20 0 CAADHN NC(=O)[C@@H](CO)NC(=S)NCCN1CCCCC1 ZINC001200443418 782095843 /nfs/dbraw/zinc/09/58/43/782095843.db2.gz WSNDFAVFDZBVHJ-SECBINFHSA-N 0 3 274.390 -1.217 20 0 CAADHN COC(=O)[C@@H]1COCCN1C(=O)C[C@@H]1CNCCO1 ZINC000575989401 335139079 /nfs/dbraw/zinc/13/90/79/335139079.db2.gz ARUZHPFXGXUJHI-ZJUUUORDSA-N 0 3 272.301 -1.235 20 0 CAADHN CC[N@H+](C)C[C@@H](O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000575999887 335140242 /nfs/dbraw/zinc/14/02/42/335140242.db2.gz OBAGOYBNFQWMDD-NXEZZACHSA-N 0 3 270.333 -1.465 20 0 CAADHN CC[N@@H+](C)C[C@@H](O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000575999887 335140243 /nfs/dbraw/zinc/14/02/43/335140243.db2.gz OBAGOYBNFQWMDD-NXEZZACHSA-N 0 3 270.333 -1.465 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C(=O)C2)CCN1C ZINC000576049755 335145866 /nfs/dbraw/zinc/14/58/66/335145866.db2.gz KLFUUHUHUWSWKJ-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)[C@H](CN)C1 ZINC000564209113 333613182 /nfs/dbraw/zinc/61/31/82/333613182.db2.gz JPFDWZUQLBWVFK-UTLUCORTSA-N 0 3 270.333 -1.879 20 0 CAADHN CC(=O)N[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)C ZINC000576122694 335157929 /nfs/dbraw/zinc/15/79/29/335157929.db2.gz JTKMIBSORZZNCG-WOPDTQHZSA-N 0 3 296.371 -1.083 20 0 CAADHN CC(=O)N[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)C ZINC000576122692 335157933 /nfs/dbraw/zinc/15/79/33/335157933.db2.gz JTKMIBSORZZNCG-TUAOUCFPSA-N 0 3 296.371 -1.083 20 0 CAADHN CC(=O)N[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)C ZINC000576122691 335157939 /nfs/dbraw/zinc/15/79/39/335157939.db2.gz JTKMIBSORZZNCG-SRVKXCTJSA-N 0 3 296.371 -1.083 20 0 CAADHN CC(=O)N[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)C ZINC000576122693 335158001 /nfs/dbraw/zinc/15/80/01/335158001.db2.gz JTKMIBSORZZNCG-UTUOFQBUSA-N 0 3 296.371 -1.083 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCCN2C(=O)CCC2=O)C1 ZINC000545883714 334003686 /nfs/dbraw/zinc/00/36/86/334003686.db2.gz XSSIKQDOAIQPGK-ZDUSSCGKSA-N 0 3 298.343 -1.499 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCC(=O)N2CCCC2)C1 ZINC000545884061 334003705 /nfs/dbraw/zinc/00/37/05/334003705.db2.gz HDCNANSDPXGLEX-CYBMUJFWSA-N 0 3 284.360 -1.025 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCCN2C(=O)CCC2=O)C1 ZINC000545883713 334003753 /nfs/dbraw/zinc/00/37/53/334003753.db2.gz XSSIKQDOAIQPGK-CYBMUJFWSA-N 0 3 298.343 -1.499 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN2CCOC[C@@H]2C1 ZINC000546046748 334014609 /nfs/dbraw/zinc/01/46/09/334014609.db2.gz WORGLLKYLIWWCG-KBPBESRZSA-N 0 3 294.399 -1.081 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC000546568445 334038404 /nfs/dbraw/zinc/03/84/04/334038404.db2.gz ULTKFVKWCFVIAQ-ZDUSSCGKSA-N 0 3 278.312 -1.023 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC000546591933 334038984 /nfs/dbraw/zinc/03/89/84/334038984.db2.gz BSOVIIXUWKVQSS-BXKDBHETSA-N 0 3 270.333 -1.417 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@H]2CC(=O)N(C)C2)C1 ZINC000546591934 334039075 /nfs/dbraw/zinc/03/90/75/334039075.db2.gz BSOVIIXUWKVQSS-CABZTGNLSA-N 0 3 270.333 -1.417 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@@H]2CC(=O)N(C)C2)C1 ZINC000546591936 334039111 /nfs/dbraw/zinc/03/91/11/334039111.db2.gz BSOVIIXUWKVQSS-SKDRFNHKSA-N 0 3 270.333 -1.417 20 0 CAADHN COCCN(C)CCNC(=O)Cn1cn[nH]c1=O ZINC000133601779 334047354 /nfs/dbraw/zinc/04/73/54/334047354.db2.gz WXJPRXAHIAUEFH-UHFFFAOYSA-N 0 3 257.294 -1.734 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000547297022 334076481 /nfs/dbraw/zinc/07/64/81/334076481.db2.gz MYHOPJWTIZESLK-GXFFZTMASA-N 0 3 284.360 -1.027 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@H]2CCC(=O)N(C)C2)C1 ZINC000547297019 334076509 /nfs/dbraw/zinc/07/65/09/334076509.db2.gz MYHOPJWTIZESLK-GWCFXTLKSA-N 0 3 284.360 -1.027 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000547297024 334076578 /nfs/dbraw/zinc/07/65/78/334076578.db2.gz MYHOPJWTIZESLK-ZWNOBZJWSA-N 0 3 284.360 -1.027 20 0 CAADHN CNC(=O)N[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000547371901 334084338 /nfs/dbraw/zinc/08/43/38/334084338.db2.gz JKFPRTLFFJNZSI-VXGBXAGGSA-N 0 3 295.387 -1.094 20 0 CAADHN COCCN(C)CCNC[C@@H](O)CN1CCN(C)CC1 ZINC000564321052 334089478 /nfs/dbraw/zinc/08/94/78/334089478.db2.gz CVYXBSXGYAUTNF-CQSZACIVSA-N 0 3 288.436 -1.238 20 0 CAADHN O=C(NC1=NCC(=O)N1)C1CCCCS1(=O)=O ZINC000547529944 334099119 /nfs/dbraw/zinc/09/91/19/334099119.db2.gz INSSANLIRGYLFF-ZCFIWIBFSA-N 0 3 259.287 -1.444 20 0 CAADHN CO[C@@H]1CN[C@@H](C(=O)N[C@H](C)C(=O)N2CCOCC2)C1 ZINC000135421266 334129341 /nfs/dbraw/zinc/12/93/41/334129341.db2.gz YLEXMTBFGLEBCK-OUAUKWLOSA-N 0 3 285.344 -1.273 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)CNC3CC3)CCN2C1=O ZINC000564349382 334154173 /nfs/dbraw/zinc/15/41/73/334154173.db2.gz LBOLRFDULWOQTF-ZJUUUORDSA-N 0 3 252.318 -1.491 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)CNC3CC3)CCN2C1=O ZINC000564349380 334154189 /nfs/dbraw/zinc/15/41/89/334154189.db2.gz LBOLRFDULWOQTF-UWVGGRQHSA-N 0 3 252.318 -1.491 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)CNC3CC3)CCN2C1=O ZINC000564349381 334154374 /nfs/dbraw/zinc/15/43/74/334154374.db2.gz LBOLRFDULWOQTF-VHSXEESVSA-N 0 3 252.318 -1.491 20 0 CAADHN CCO[C@@H]1COCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC000548539116 334162440 /nfs/dbraw/zinc/16/24/40/334162440.db2.gz VUIXKQLPKHETJQ-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CCO[C@H]1COCC[C@@H]1NCC(=O)N1CCNC(=O)C1 ZINC000548539120 334162504 /nfs/dbraw/zinc/16/25/04/334162504.db2.gz VUIXKQLPKHETJQ-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CCO[C@H]1COCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC000548539118 334162543 /nfs/dbraw/zinc/16/25/43/334162543.db2.gz VUIXKQLPKHETJQ-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CCNC(=O)C2)CC1=O ZINC000081229288 334181643 /nfs/dbraw/zinc/18/16/43/334181643.db2.gz RVZCHUQNCWURPL-JTQLQIEISA-N 0 3 282.344 -1.645 20 0 CAADHN CN(CCOCCO)C[C@@H](O)CN1CCOCC1 ZINC000083245857 334256013 /nfs/dbraw/zinc/25/60/13/334256013.db2.gz REJXXJKGAOZDEL-GFCCVEGCSA-N 0 3 262.350 -1.380 20 0 CAADHN O=C(CN1CCOCC1=O)NC[C@]1(O)CN2CCC1CC2 ZINC000552028298 334278357 /nfs/dbraw/zinc/27/83/57/334278357.db2.gz UTNCKVMRNPTUCM-AWEZNQCLSA-N 0 3 297.355 -1.582 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C(=O)NCCN(C)C ZINC000552077481 334286679 /nfs/dbraw/zinc/28/66/79/334286679.db2.gz MAAAFFNGWYNVTK-MNOVXSKESA-N 0 3 286.376 -1.501 20 0 CAADHN CO[C@H]1C[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)N(C(C)=O)C1 ZINC000552155511 334296229 /nfs/dbraw/zinc/29/62/29/334296229.db2.gz YXZMCRSLCOAUOF-RNJOBUHISA-N 0 3 299.371 -1.245 20 0 CAADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@@H]1COCCO1 ZINC000552210530 334303197 /nfs/dbraw/zinc/30/31/97/334303197.db2.gz IWOHSCYOXILVHW-AAEUAGOBSA-N 0 3 270.329 -1.025 20 0 CAADHN C[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)n1cncn1 ZINC000552436308 334327373 /nfs/dbraw/zinc/32/73/73/334327373.db2.gz WUGQSECALUPKGJ-GUBZILKMSA-N 0 3 253.306 -1.028 20 0 CAADHN CN(C)[C@H]1CN(C(=O)c2ccc(C(N)=O)nc2)C[C@@H]1O ZINC000552440617 334327573 /nfs/dbraw/zinc/32/75/73/334327573.db2.gz NLNBKMBHDDBNNH-QWRGUYRKSA-N 0 3 278.312 -1.073 20 0 CAADHN Cn1nncc1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200397105 782096194 /nfs/dbraw/zinc/09/61/94/782096194.db2.gz RJIHPPAZXZDYDU-VIFPVBQESA-N 0 3 296.331 -1.879 20 0 CAADHN C[C@H]1CN([C@@H]2CC(=O)N(CCN(C)C)C2=O)CC(=O)N1 ZINC000556124491 334496623 /nfs/dbraw/zinc/49/66/23/334496623.db2.gz JZEUFNABAYZFIB-VHSXEESVSA-N 0 3 282.344 -1.504 20 0 CAADHN NCC(F)(F)CC(=O)NCC(=O)N1CCNCC1 ZINC000565148947 334540594 /nfs/dbraw/zinc/54/05/94/334540594.db2.gz WQLKIGWRPZVEHR-UHFFFAOYSA-N 0 3 264.276 -1.482 20 0 CAADHN C[C@@H](NC(=O)CN1CCOCC1)C(=O)NCCN(C)C ZINC000565708494 334589379 /nfs/dbraw/zinc/58/93/79/334589379.db2.gz RSSNRSFHWMPKFR-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN O=C1[C@H](NC[C@H](O)Cn2cccn2)CCCN1CCO ZINC000565716249 334590899 /nfs/dbraw/zinc/59/08/99/334590899.db2.gz ARSNCPIQVAFQDS-NWDGAFQWSA-N 0 3 282.344 -1.183 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](CN)OC ZINC000565833792 334601168 /nfs/dbraw/zinc/60/11/68/334601168.db2.gz FGTFELKPABHWOM-YUMQZZPRSA-N 0 3 273.289 -2.150 20 0 CAADHN COCCNCC(=O)N1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000565951115 334611375 /nfs/dbraw/zinc/61/13/75/334611375.db2.gz DSOZMPMIOBVZHW-KOLCDFICSA-N 0 3 274.317 -1.253 20 0 CAADHN CN(CC1(O)CCC1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000566091754 334621630 /nfs/dbraw/zinc/62/16/30/334621630.db2.gz AQGXMNCKGMKVFX-LLVKDONJSA-N 0 3 298.387 -1.539 20 0 CAADHN CCO[C@@H]1COC[C@H]1NC[C@@H](O)CN1CCN(C)CC1 ZINC000566122611 334625374 /nfs/dbraw/zinc/62/53/74/334625374.db2.gz PJTHUGJBTAUQFQ-MGPQQGTHSA-N 0 3 287.404 -1.012 20 0 CAADHN C[C@H]1CCN(C(=O)CN2CC(=O)[N-]C2=O)C[C@H]1C[NH3+] ZINC000566213602 334636467 /nfs/dbraw/zinc/63/64/67/334636467.db2.gz XRAIIVJJXPOCPX-DTWKUNHWSA-N 0 3 268.317 -1.019 20 0 CAADHN C[C@@H](NC(=O)C(=O)NCC1CC1)C(=O)NCCN(C)C ZINC000566462791 334650659 /nfs/dbraw/zinc/65/06/59/334650659.db2.gz QPUUWAQAQIYBBU-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN COC(=O)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566507687 334653561 /nfs/dbraw/zinc/65/35/61/334653561.db2.gz LGVUCOFPCSYYAV-VHSXEESVSA-N 0 3 298.343 -1.107 20 0 CAADHN CC(C)=CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566511797 334653806 /nfs/dbraw/zinc/65/38/06/334653806.db2.gz YMSWYENQHIVMSM-QWRGUYRKSA-N 0 3 294.355 -1.161 20 0 CAADHN CCC[C@H](O)[C@@H](CO)NC[C@H](O)CN1CCOCC1 ZINC000566561804 334655663 /nfs/dbraw/zinc/65/56/63/334655663.db2.gz PFNLUENZFNOPSX-XQQFMLRXSA-N 0 3 276.377 -1.209 20 0 CAADHN O=C(NC[C@@]1(O)CN2CCC1CC2)C(=O)NC1CC1 ZINC000566806193 334665006 /nfs/dbraw/zinc/66/50/06/334665006.db2.gz PIVVSJYLNLYHQH-CYBMUJFWSA-N 0 3 267.329 -1.162 20 0 CAADHN COC(=O)CNC(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000566863668 334667504 /nfs/dbraw/zinc/66/75/04/334667504.db2.gz FVRQBCUWJZEZHM-GUBZILKMSA-N 0 3 273.333 -1.729 20 0 CAADHN C[C@@H]1CN(CCCNC(=O)C(=O)NC2CNC2)C[C@@H](C)O1 ZINC000567223241 334694792 /nfs/dbraw/zinc/69/47/92/334694792.db2.gz BEPGVZDIPXPBAQ-GHMZBOCLSA-N 0 3 298.387 -1.310 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)COC1CNC1 ZINC000567236824 334696597 /nfs/dbraw/zinc/69/65/97/334696597.db2.gz RLHOLLXSQWUZPU-SECBINFHSA-N 0 3 285.300 -2.135 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000567675035 334750590 /nfs/dbraw/zinc/75/05/90/334750590.db2.gz YFCHCLYFQWVXEV-IUCAKERBSA-N 0 3 279.362 -1.548 20 0 CAADHN CO[C@H](CN)C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000567900114 334773359 /nfs/dbraw/zinc/77/33/59/334773359.db2.gz PVFDGJOAYSVPPJ-OPRDCNLKSA-N 0 3 293.389 -1.063 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)C[C@@H]1CNCCO1 ZINC000567911447 334775174 /nfs/dbraw/zinc/77/51/74/334775174.db2.gz WUFUIPUEHLRCNL-SECBINFHSA-N 0 3 287.316 -1.758 20 0 CAADHN CN[C@@H](C)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000568235102 334807097 /nfs/dbraw/zinc/80/70/97/334807097.db2.gz IPKTXUFWOGACBF-JTQLQIEISA-N 0 3 284.360 -1.210 20 0 CAADHN Cc1cnn(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000568267204 334810913 /nfs/dbraw/zinc/81/09/13/334810913.db2.gz CFRWPTVNPBNMCL-QWRGUYRKSA-N 0 3 277.328 -1.038 20 0 CAADHN COC[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568294237 334813613 /nfs/dbraw/zinc/81/36/13/334813613.db2.gz MVSQRLWWJJZHOY-KXUCPTDWSA-N 0 3 270.333 -1.025 20 0 CAADHN CCCS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568533496 334829336 /nfs/dbraw/zinc/82/93/36/334829336.db2.gz UGQJBPDJPDCCHQ-BDAKNGLRSA-N 0 3 261.347 -1.030 20 0 CAADHN CCCS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568533500 334829513 /nfs/dbraw/zinc/82/95/13/334829513.db2.gz UGQJBPDJPDCCHQ-IUCAKERBSA-N 0 3 261.347 -1.030 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000568724383 334837890 /nfs/dbraw/zinc/83/78/90/334837890.db2.gz AKEMIYHMTKRWDY-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NCC3CCC3)CCN2C1=O ZINC000568782997 334840753 /nfs/dbraw/zinc/84/07/53/334840753.db2.gz JPOBFUUCLGEPRD-MNOVXSKESA-N 0 3 294.355 -1.327 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NCC3CCC3)CCN2C1=O ZINC000568782998 334840767 /nfs/dbraw/zinc/84/07/67/334840767.db2.gz JPOBFUUCLGEPRD-QWRGUYRKSA-N 0 3 294.355 -1.327 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)CCOC1CNC1 ZINC000569105089 334855500 /nfs/dbraw/zinc/85/55/00/334855500.db2.gz SDBPUBWMTNYDOF-UHFFFAOYSA-N 0 3 287.316 -1.758 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000569233549 334862599 /nfs/dbraw/zinc/86/25/99/334862599.db2.gz GYOAZRRAZDZQQS-JTQLQIEISA-N 0 3 272.301 -1.235 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000576359989 335194488 /nfs/dbraw/zinc/19/44/88/335194488.db2.gz IAKKEKOSWJFQLV-UTUOFQBUSA-N 0 3 296.371 -1.523 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000576359988 335194503 /nfs/dbraw/zinc/19/45/03/335194503.db2.gz IAKKEKOSWJFQLV-TUAOUCFPSA-N 0 3 296.371 -1.523 20 0 CAADHN CC(C(=O)N1CC(=O)N(C)C(=O)C1)S(C)(=O)=O ZINC000576371717 335195934 /nfs/dbraw/zinc/19/59/34/335195934.db2.gz DWYJMXJYUKSHDU-LURJTMIESA-N 0 3 262.287 -1.753 20 0 CAADHN COCCOCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000576425455 335202267 /nfs/dbraw/zinc/20/22/67/335202267.db2.gz IGAOEYOUTDQNSG-JTQLQIEISA-N 0 3 275.349 -1.168 20 0 CAADHN COCCN(C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000576458400 335205990 /nfs/dbraw/zinc/20/59/90/335205990.db2.gz IYKHPXNKHGUPBE-SNVBAGLBSA-N 0 3 272.349 -1.808 20 0 CAADHN CC1(C)[C@H](O)C[C@@H]1NCC(=O)N1CCNC(=O)C1 ZINC000576475854 335209334 /nfs/dbraw/zinc/20/93/34/335209334.db2.gz NXWNBSNRBZLAPB-DTWKUNHWSA-N 0 3 255.318 -1.306 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCOCC2(CC2)C1 ZINC000576615309 335226600 /nfs/dbraw/zinc/22/66/00/335226600.db2.gz CBHQXQUOKMEJLK-UHFFFAOYSA-N 0 3 253.302 -1.287 20 0 CAADHN CCNC(=O)N1CC[C@@H](NCCC(=O)NC(N)=O)C1 ZINC000576629770 335227879 /nfs/dbraw/zinc/22/78/79/335227879.db2.gz FTSZCCLIFWBOTA-MRVPVSSYSA-N 0 3 271.321 -1.035 20 0 CAADHN CN(C)CCN(C)C(=O)CN(C)S(=O)(=O)N(C)C ZINC000576642064 335229745 /nfs/dbraw/zinc/22/97/45/335229745.db2.gz ZANMDRDTOUMUGR-UHFFFAOYSA-N 0 3 280.394 -1.255 20 0 CAADHN CN(CCN)C(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000576755427 335244003 /nfs/dbraw/zinc/24/40/03/335244003.db2.gz KMSZNPLHXJSQLI-SECBINFHSA-N 0 3 284.360 -1.081 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCSC[C@H]1C(N)=O ZINC000576765120 335245184 /nfs/dbraw/zinc/24/51/84/335245184.db2.gz FOXRYBHGNPRXRI-MNOVXSKESA-N 0 3 291.417 -1.172 20 0 CAADHN CN1CCN(C(=O)C(=O)N[C@H](CN)C2CCCC2)CC1=O ZINC000576831203 335253274 /nfs/dbraw/zinc/25/32/74/335253274.db2.gz QAUHDTAVEBGIBE-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)N1CCN(C(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000576898605 335262053 /nfs/dbraw/zinc/26/20/53/335262053.db2.gz JVUPJFAZJPFQPG-STQMWFEESA-N 0 3 298.387 -1.716 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000576898557 335262207 /nfs/dbraw/zinc/26/22/07/335262207.db2.gz FXANXIIFEAIIMT-VGMNWLOBSA-N 0 3 258.322 -1.563 20 0 CAADHN CC(C)NC(=O)CN(C)CC(=O)NC[C@@H]1CNCCO1 ZINC000580563191 335286552 /nfs/dbraw/zinc/28/65/52/335286552.db2.gz GKGOTRYALVCOAC-NSHDSACASA-N 0 3 286.376 -1.453 20 0 CAADHN CN1CCN(C(=O)CN2CCOCC2)[C@H](CN)C1 ZINC000580564664 335287142 /nfs/dbraw/zinc/28/71/42/335287142.db2.gz CVXGHPUGFDQAPV-LLVKDONJSA-N 0 3 256.350 -1.580 20 0 CAADHN CN1CCN(C(=O)CN2CCOCC2)[C@@H](CN)C1 ZINC000580564665 335287205 /nfs/dbraw/zinc/28/72/05/335287205.db2.gz CVXGHPUGFDQAPV-NSHDSACASA-N 0 3 256.350 -1.580 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@H]2CNCCC2(F)F)C1=O ZINC000580565473 335287401 /nfs/dbraw/zinc/28/74/01/335287401.db2.gz PCEHCBIBEJHGFU-ZETCQYMHSA-N 0 3 290.270 -1.006 20 0 CAADHN Cc1nn(C)cc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000577182571 335318289 /nfs/dbraw/zinc/31/82/89/335318289.db2.gz ZKLNKVIMUJVSSY-JTQLQIEISA-N 0 3 287.389 -1.008 20 0 CAADHN O=C(COC1CNC1)NCC(=O)N1CCNCC1 ZINC000577220009 335325213 /nfs/dbraw/zinc/32/52/13/335325213.db2.gz YUUCURKSXLJJAW-UHFFFAOYSA-N 0 3 256.306 -2.477 20 0 CAADHN C[C@H]1CCN(C)CCN1C(=O)C(=O)NC1CNC1 ZINC000577356742 335342005 /nfs/dbraw/zinc/34/20/05/335342005.db2.gz BRUAZBNQAPSAIE-VIFPVBQESA-N 0 3 254.334 -1.373 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)CNCC1CC1 ZINC000577488335 335354773 /nfs/dbraw/zinc/35/47/73/335354773.db2.gz SVBRTJFSQXWIKT-UHFFFAOYSA-N 0 3 268.361 -1.124 20 0 CAADHN CCO[C@@H]1C[C@@H](NC(=O)C(=O)NC2CNC2)[C@H]1OC ZINC000577593942 335375043 /nfs/dbraw/zinc/37/50/43/335375043.db2.gz JITZEHIDPMVSJR-OPRDCNLKSA-N 0 3 271.317 -1.617 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)COC2CNC2)O1 ZINC000577607210 335377278 /nfs/dbraw/zinc/37/72/78/335377278.db2.gz BWIKBVGQGOBBFV-KOLCDFICSA-N 0 3 285.344 -1.273 20 0 CAADHN O=C(COC1CNC1)NCC(=O)N1CCOCC1 ZINC000577607856 335377347 /nfs/dbraw/zinc/37/73/47/335377347.db2.gz GLEAKRYJMTXXOH-UHFFFAOYSA-N 0 3 257.290 -2.050 20 0 CAADHN CCCN1CCCN(C(=O)C(=O)NC2CNC2)CC1=O ZINC000577608726 335377471 /nfs/dbraw/zinc/37/74/71/335377471.db2.gz YMAFGABOHNPMQW-UHFFFAOYSA-N 0 3 282.344 -1.455 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(C2CC2)C1 ZINC000577620629 335379625 /nfs/dbraw/zinc/37/96/25/335379625.db2.gz ZCHRFJAKLYWKIA-QMMMGPOBSA-N 0 3 276.362 -1.607 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@H](CN)C1 ZINC000577625769 335381394 /nfs/dbraw/zinc/38/13/94/335381394.db2.gz RQLRUEYJDOWYPP-ZJUUUORDSA-N 0 3 275.374 -1.335 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC(F)(F)CN ZINC000577634965 335383872 /nfs/dbraw/zinc/38/38/72/335383872.db2.gz JVNRTGBCVAPLOS-QMMMGPOBSA-N 0 3 266.292 -1.204 20 0 CAADHN COCCN(C)C[C@H](O)CN[C@@H]1COC[C@@H]1OC ZINC000577766213 335399196 /nfs/dbraw/zinc/39/91/96/335399196.db2.gz WXHINEQKHVZPPR-UTUOFQBUSA-N 0 3 262.350 -1.071 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NC[C@H]1CNCCO1 ZINC000577841320 335409715 /nfs/dbraw/zinc/40/97/15/335409715.db2.gz IRNCYTYMNPYGJE-SECBINFHSA-N 0 3 279.362 -1.628 20 0 CAADHN CN(C)CCN(C(=O)CN1CCNCC1=O)C1CC1 ZINC000578320822 335607799 /nfs/dbraw/zinc/60/77/99/335607799.db2.gz DYIFJSXXECYQLL-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN O=C(CCNC(=O)C(=O)NC1CNC1)N1CCCCCC1 ZINC000578490813 335640354 /nfs/dbraw/zinc/64/03/54/335640354.db2.gz KNVJQJNEHHIUMM-UHFFFAOYSA-N 0 3 296.371 -1.017 20 0 CAADHN CCN1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000578994963 335697332 /nfs/dbraw/zinc/69/73/32/335697332.db2.gz GEAJOIXOOWYSJL-GFCCVEGCSA-N 0 3 297.403 -1.748 20 0 CAADHN CC1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000579007462 335699883 /nfs/dbraw/zinc/69/98/83/335699883.db2.gz OCOHRHDMNPMRQK-NXEZZACHSA-N 0 3 294.355 -1.327 20 0 CAADHN C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000579091985 335708231 /nfs/dbraw/zinc/70/82/31/335708231.db2.gz FKENLTLNMHXLME-MXWKQRLJSA-N 0 3 268.361 -1.140 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CNC1CC1 ZINC000579355603 335738611 /nfs/dbraw/zinc/73/86/11/335738611.db2.gz NHFBXGVJMHCLTM-VIFPVBQESA-N 0 3 269.301 -1.372 20 0 CAADHN CCN(CC)CC(=O)N1CCN([C@H]2CC(=O)NC2=O)CC1 ZINC000579609510 335821866 /nfs/dbraw/zinc/82/18/66/335821866.db2.gz ZVOKATMNQDJWFK-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CNC(=O)c2cccnc2)C[C@@H]1O ZINC000580860813 335976250 /nfs/dbraw/zinc/97/62/50/335976250.db2.gz LAPOOSLEOVUMJL-RYUDHWBXSA-N 0 3 292.339 -1.055 20 0 CAADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)CCCF)CCN2C1=O ZINC000581082729 336006340 /nfs/dbraw/zinc/00/63/40/336006340.db2.gz MQVBGTPZIMVWLL-RKDXNWHRSA-N 0 3 279.337 -1.080 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCCC[C@H]1CN(C)C ZINC000581171736 336018998 /nfs/dbraw/zinc/01/89/98/336018998.db2.gz ISYDLGAFYKRQDD-JTQLQIEISA-N 0 3 292.405 -1.017 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[C@@H]1CNCCO1 ZINC000581193733 336022444 /nfs/dbraw/zinc/02/24/44/336022444.db2.gz RJMZVKIMNUMOSS-NXEZZACHSA-N 0 3 299.327 -1.745 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCOC[C@H]1C(=O)OC ZINC000380793398 336030098 /nfs/dbraw/zinc/03/00/98/336030098.db2.gz JAJNXMFXBCVGJC-RYUDHWBXSA-N 0 3 290.360 -1.201 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@@H]1O ZINC000581260552 336033833 /nfs/dbraw/zinc/03/38/33/336033833.db2.gz CYVKXZGNKMFQGC-AVGNSLFASA-N 0 3 282.388 -1.490 20 0 CAADHN CCOC(=O)C[C@H](O)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000581260778 336033836 /nfs/dbraw/zinc/03/38/36/336033836.db2.gz DOGTTXHGYINMSG-GUBZILKMSA-N 0 3 274.317 -1.566 20 0 CAADHN CCOC(=O)C[C@@H](O)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000581260777 336033839 /nfs/dbraw/zinc/03/38/39/336033839.db2.gz DOGTTXHGYINMSG-AEJSXWLSSA-N 0 3 274.317 -1.566 20 0 CAADHN N[C@H]1C[C@@H]2CN(CC(=O)N3CCCC3)CCN2C1=O ZINC000581260482 336033935 /nfs/dbraw/zinc/03/39/35/336033935.db2.gz IXBSOKTXSJEUPX-MNOVXSKESA-N 0 3 266.345 -1.147 20 0 CAADHN N[C@@H]1C[C@H]2CN(CC(=O)N3CCCC3)CCN2C1=O ZINC000581260488 336034006 /nfs/dbraw/zinc/03/40/06/336034006.db2.gz IXBSOKTXSJEUPX-WDEREUQCSA-N 0 3 266.345 -1.147 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000581300664 336041710 /nfs/dbraw/zinc/04/17/10/336041710.db2.gz HNGJWDVQELIQFZ-LBPRGKRZSA-N 0 3 296.371 -1.602 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000581300663 336041802 /nfs/dbraw/zinc/04/18/02/336041802.db2.gz HNGJWDVQELIQFZ-GFCCVEGCSA-N 0 3 296.371 -1.602 20 0 CAADHN C[C@@H](O)C[C@H]1CCCN1C(=O)C(=O)NC1CNC1 ZINC000581300694 336041815 /nfs/dbraw/zinc/04/18/15/336041815.db2.gz NJWJNWUJROXMJN-PSASIEDQSA-N 0 3 255.318 -1.164 20 0 CAADHN COCCN(C)C[C@@H](O)CN1C[C@H](F)C[C@H]1C(N)=O ZINC000581437493 336077781 /nfs/dbraw/zinc/07/77/81/336077781.db2.gz NIHQXWHTHBOYMZ-MXWKQRLJSA-N 0 3 277.340 -1.177 20 0 CAADHN CN1CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)[C@@H](CN)C1 ZINC000581489563 336088611 /nfs/dbraw/zinc/08/86/11/336088611.db2.gz MGCSYFMLKPLGCT-VIFPVBQESA-N 0 3 297.359 -1.582 20 0 CAADHN NC(=O)CCNCCS(=O)(=O)N1CCSCC1 ZINC000581543567 336098754 /nfs/dbraw/zinc/09/87/54/336098754.db2.gz MFNSBKZGMBUPHZ-UHFFFAOYSA-N 0 3 281.403 -1.170 20 0 CAADHN C[C@H](NC1CC1)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000383256484 336106517 /nfs/dbraw/zinc/10/65/17/336106517.db2.gz DKKVJCFPVNFGEA-QMMMGPOBSA-N 0 3 276.362 -1.525 20 0 CAADHN CO[C@H](CN)C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 ZINC000581602893 336110154 /nfs/dbraw/zinc/11/01/54/336110154.db2.gz YZMYYUJKFYUYHA-GMTAPVOTSA-N 0 3 257.334 -1.108 20 0 CAADHN CO[C@H](CN)C(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 ZINC000581602892 336110164 /nfs/dbraw/zinc/11/01/64/336110164.db2.gz YZMYYUJKFYUYHA-GARJFASQSA-N 0 3 257.334 -1.108 20 0 CAADHN NC(=O)c1ccc(CNC[C@@H](O)CN2CCOCC2)cn1 ZINC000581603158 336110191 /nfs/dbraw/zinc/11/01/91/336110191.db2.gz MQBRUYHRANKXBX-GFCCVEGCSA-N 0 3 294.355 -1.037 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000581665981 336120677 /nfs/dbraw/zinc/12/06/77/336120677.db2.gz RXFLJRGUQSQOKJ-VIFPVBQESA-N 0 3 278.378 -2.021 20 0 CAADHN COC(=O)Cn1cc(CNC[C@H](O)CN(C)C2CC2)nn1 ZINC000581808973 336146801 /nfs/dbraw/zinc/14/68/01/336146801.db2.gz DBWHOOYGDXGXHH-LBPRGKRZSA-N 0 3 297.359 -1.004 20 0 CAADHN CN1C[C@H](NC[C@H](O)CN2CCOCC2)CC1=O ZINC000385925597 336161779 /nfs/dbraw/zinc/16/17/79/336161779.db2.gz KCWZYQBLJUBHNI-MNOVXSKESA-N 0 3 257.334 -1.500 20 0 CAADHN CN1C[C@@H](NC[C@H](O)CN2CCOCC2)CC1=O ZINC000385925598 336161972 /nfs/dbraw/zinc/16/19/72/336161972.db2.gz KCWZYQBLJUBHNI-QWRGUYRKSA-N 0 3 257.334 -1.500 20 0 CAADHN Cn1ccc(=O)n(CCCNC(=O)COC2CNC2)c1=O ZINC000582001774 336188775 /nfs/dbraw/zinc/18/87/75/336188775.db2.gz KIMZYDRDAUYKIL-UHFFFAOYSA-N 0 3 296.327 -1.958 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001201111894 782100530 /nfs/dbraw/zinc/10/05/30/782100530.db2.gz FDCOGQLXEXADRL-VIFPVBQESA-N 0 3 296.331 -1.581 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cccc(C(N)=O)n1)C(N)=O ZINC001152856564 782101595 /nfs/dbraw/zinc/10/15/95/782101595.db2.gz NAVHXYQJUASCOO-MRVPVSSYSA-N 0 3 293.327 -1.236 20 0 CAADHN CC[C@H](NC[C@@H]1CN(C(=O)C(N)=O)CCCO1)C(N)=O ZINC001201293303 782101968 /nfs/dbraw/zinc/10/19/68/782101968.db2.gz JNVZZVHPKJHQLS-BDAKNGLRSA-N 0 3 286.332 -2.057 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cccc(C(N)=O)n1 ZINC001152856571 782102118 /nfs/dbraw/zinc/10/21/18/782102118.db2.gz NMPMRZITIXOVRC-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CCCO1 ZINC001201292950 782102478 /nfs/dbraw/zinc/10/24/78/782102478.db2.gz JEARDIBYIAIMHW-SECBINFHSA-N 0 3 298.343 -2.056 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1CCCO[C@H](CNCCF)C1 ZINC001201270115 782102932 /nfs/dbraw/zinc/10/29/32/782102932.db2.gz XZUJDKJRRZPIKF-ZJUUUORDSA-N 0 3 288.323 -1.156 20 0 CAADHN NC(=O)C(=O)N1CCCO[C@@H](CNCC(=O)NC2CC2)C1 ZINC001201302444 782103378 /nfs/dbraw/zinc/10/33/78/782103378.db2.gz RCBQKGUWARAUBP-JTQLQIEISA-N 0 3 298.343 -2.043 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269893 782103550 /nfs/dbraw/zinc/10/35/50/782103550.db2.gz VDQVUTMLHYVXGW-DTWKUNHWSA-N 0 3 299.331 -2.640 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201301564 782103856 /nfs/dbraw/zinc/10/38/56/782103856.db2.gz FDEKAJCZQUDHIP-SECBINFHSA-N 0 3 286.332 -2.185 20 0 CAADHN NC(=O)C(=O)N1CCCO[C@H](CNCC(=O)N2CCC2)C1 ZINC001201301463 782103925 /nfs/dbraw/zinc/10/39/25/782103925.db2.gz BKRHEJHNJLDSLM-SNVBAGLBSA-N 0 3 298.343 -2.089 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCCO1 ZINC001201269895 782103986 /nfs/dbraw/zinc/10/39/86/782103986.db2.gz VDQVUTMLHYVXGW-RKDXNWHRSA-N 0 3 299.331 -2.640 20 0 CAADHN O=C(c1cn[n-]n1)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001273893526 782104574 /nfs/dbraw/zinc/10/45/74/782104574.db2.gz HBQOJSYYNVHWNT-LLVKDONJSA-N 0 3 269.305 -1.646 20 0 CAADHN O=C(NC/C=C\CN[C@H]1CCCNC1=O)[C@H]1CCC(=O)N1 ZINC001273901095 782104989 /nfs/dbraw/zinc/10/49/89/782104989.db2.gz NIFLXKXGPGDGKH-WQJDUCKJSA-N 0 3 294.355 -1.194 20 0 CAADHN NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2cn[n-]n2)CC1 ZINC001201427539 782105136 /nfs/dbraw/zinc/10/51/36/782105136.db2.gz AGKOSCSZODPIJP-UHFFFAOYSA-N 0 3 295.303 -1.806 20 0 CAADHN Cn1ncc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)n1 ZINC001201629640 782105317 /nfs/dbraw/zinc/10/53/17/782105317.db2.gz KYUQOIMCIBZCDH-VIFPVBQESA-N 0 3 296.331 -1.879 20 0 CAADHN CN1CC[C@@H](NC/C=C\CNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001273901565 782105542 /nfs/dbraw/zinc/10/55/42/782105542.db2.gz RFXKHTOYRLJHCR-LVUHIJSRSA-N 0 3 294.355 -1.242 20 0 CAADHN CN1CC[C@H](NC/C=C\CNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001273901567 782105643 /nfs/dbraw/zinc/10/56/43/782105643.db2.gz RFXKHTOYRLJHCR-UZAOFVRNSA-N 0 3 294.355 -1.242 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1 ZINC001201483693 782105719 /nfs/dbraw/zinc/10/57/19/782105719.db2.gz NUNZJIVAQAVDLT-LLVKDONJSA-N 0 3 295.343 -1.355 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2nc[nH]n2)CCCO1)C(N)=O ZINC001201659949 782106144 /nfs/dbraw/zinc/10/61/44/782106144.db2.gz VMZWKBJNZHFNLH-IUCAKERBSA-N 0 3 296.331 -1.501 20 0 CAADHN C[C@H]([NH2+]C[C@H]1CN(C(=O)c2nc[n-]n2)CCCO1)C(N)=O ZINC001201659949 782106151 /nfs/dbraw/zinc/10/61/51/782106151.db2.gz VMZWKBJNZHFNLH-IUCAKERBSA-N 0 3 296.331 -1.501 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cccnn2)CCCO1 ZINC001201703715 782106282 /nfs/dbraw/zinc/10/62/82/782106282.db2.gz YVLVSFMKNAAEQH-SNVBAGLBSA-N 0 3 293.327 -1.217 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ncccn2)CCCO1 ZINC001201696526 782106616 /nfs/dbraw/zinc/10/66/16/782106616.db2.gz YFVLRAKGWOHAJB-SNVBAGLBSA-N 0 3 293.327 -1.217 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2ncc[nH]2)CCCO1 ZINC001201726724 782107048 /nfs/dbraw/zinc/10/70/48/782107048.db2.gz NDQVIQVHTNKZRU-JTQLQIEISA-N 0 3 295.343 -1.355 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cnon2)CCCO1 ZINC001201688908 782107099 /nfs/dbraw/zinc/10/70/99/782107099.db2.gz UWEPUIAWZGIWGO-MRVPVSSYSA-N 0 3 283.288 -1.624 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cnon2)CCCO1)C(N)=O ZINC001201688900 782107155 /nfs/dbraw/zinc/10/71/55/782107155.db2.gz ULUSZYXFSQUOES-BDAKNGLRSA-N 0 3 297.315 -1.236 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCCO1 ZINC001201726725 782107393 /nfs/dbraw/zinc/10/73/93/782107393.db2.gz NDQVIQVHTNKZRU-SNVBAGLBSA-N 0 3 295.343 -1.355 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cnon2)CCCO1 ZINC001201687951 782107548 /nfs/dbraw/zinc/10/75/48/782107548.db2.gz LBPUDCAJNUTFEO-VIFPVBQESA-N 0 3 297.315 -1.364 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCCO1)C(N)=O ZINC001201659948 782107688 /nfs/dbraw/zinc/10/76/88/782107688.db2.gz VMZWKBJNZHFNLH-DTWKUNHWSA-N 0 3 296.331 -1.501 20 0 CAADHN C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)CCCO1)C(N)=O ZINC001201659948 782107691 /nfs/dbraw/zinc/10/76/91/782107691.db2.gz VMZWKBJNZHFNLH-DTWKUNHWSA-N 0 3 296.331 -1.501 20 0 CAADHN CC(C)(O)CC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200368047 782096504 /nfs/dbraw/zinc/09/65/04/782096504.db2.gz VPPPWWWEWIFPAM-SNVBAGLBSA-N 0 3 287.360 -1.160 20 0 CAADHN Cn1cc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)nn1 ZINC001200420093 782096627 /nfs/dbraw/zinc/09/66/27/782096627.db2.gz OMBLLQUFRLJEDJ-VIFPVBQESA-N 0 3 296.331 -1.879 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200410825 782096846 /nfs/dbraw/zinc/09/68/46/782096846.db2.gz DXLGSDQSJZTTOR-ZYHUDNBSSA-N 0 3 287.360 -1.304 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520606 782097365 /nfs/dbraw/zinc/09/73/65/782097365.db2.gz VVDNJSRVWJPGOO-SECBINFHSA-N 0 3 297.319 -2.635 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cn2ncnn2)CCCO1 ZINC001200520607 782097557 /nfs/dbraw/zinc/09/75/57/782097557.db2.gz VVDNJSRVWJPGOO-VIFPVBQESA-N 0 3 297.319 -2.635 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cn2nccn2)CCCO1 ZINC001200596817 782097705 /nfs/dbraw/zinc/09/77/05/782097705.db2.gz GCIILMSHYHPJBA-SNVBAGLBSA-N 0 3 296.331 -2.030 20 0 CAADHN Cn1cncc1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200887801 782098653 /nfs/dbraw/zinc/09/86/53/782098653.db2.gz ROFQFLDMPUQLFL-JTQLQIEISA-N 0 3 295.343 -1.274 20 0 CAADHN O=C(c1cn[n-]n1)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200866399 782099189 /nfs/dbraw/zinc/09/91/89/782099189.db2.gz UNQYXELVSOLPSY-SECBINFHSA-N 0 3 269.305 -1.382 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cn[nH]n2)CCCO1)C(N)=O ZINC001200866161 782099242 /nfs/dbraw/zinc/09/92/42/782099242.db2.gz QKERFWYYOVFJLF-RKDXNWHRSA-N 0 3 296.331 -1.501 20 0 CAADHN O=C(c1cn[n-]n1)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200866400 782099406 /nfs/dbraw/zinc/09/94/06/782099406.db2.gz UNQYXELVSOLPSY-VIFPVBQESA-N 0 3 269.305 -1.382 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2csnn2)CCCO1 ZINC001201089776 782099695 /nfs/dbraw/zinc/09/96/95/782099695.db2.gz SMHMVXLCORYZEA-MRVPVSSYSA-N 0 3 299.356 -1.156 20 0 CAADHN NC(=O)CNCCNC(=O)c1cccc(C(N)=O)n1 ZINC001152849334 782100061 /nfs/dbraw/zinc/10/00/61/782100061.db2.gz WYRIMECBRIDIFL-UHFFFAOYSA-N 0 3 265.273 -2.015 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCNC2=O)CCCO1 ZINC001201147811 782100193 /nfs/dbraw/zinc/10/01/93/782100193.db2.gz RGAXAMIFDWEXFY-UWVGGRQHSA-N 0 3 298.343 -2.185 20 0 CAADHN Cc1nonc1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001202226758 782110255 /nfs/dbraw/zinc/11/02/55/782110255.db2.gz KBOXRXAXKOZMKM-SECBINFHSA-N 0 3 297.315 -1.316 20 0 CAADHN COC(=O)[C@@H](O)CN[C@H](C(=O)N1CCOCC1)C(C)C ZINC001252441961 782115242 /nfs/dbraw/zinc/11/52/42/782115242.db2.gz OQBQOFNWIIPCHY-QWRGUYRKSA-N 0 3 288.344 -1.007 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115176035 782114200 /nfs/dbraw/zinc/11/42/00/782114200.db2.gz HOEZQYBWBZPSJT-YTWAJWBKSA-N 0 3 284.360 -1.138 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn2cc[nH]c12)C(N)=O ZINC001149042796 782113562 /nfs/dbraw/zinc/11/35/62/782113562.db2.gz SOLQCKOMCWQJEA-SSDOTTSWSA-N 0 3 264.289 -1.144 20 0 CAADHN O=C(Cn1ccnc1)NCCNCC(=O)N1CCC1 ZINC001153487980 782116296 /nfs/dbraw/zinc/11/62/96/782116296.db2.gz XPAAQSGNCZOCKC-UHFFFAOYSA-N 0 3 265.317 -1.179 20 0 CAADHN C[C@H](NCCNC(=O)CCCC(N)=O)C(=O)N(C)C ZINC001153462113 782116913 /nfs/dbraw/zinc/11/69/13/782116913.db2.gz SUOREEYKRRXSFV-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1ccnc1 ZINC001153496195 782116668 /nfs/dbraw/zinc/11/66/68/782116668.db2.gz VQOYGDSZUHNOOA-SECBINFHSA-N 0 3 253.306 -1.277 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1ccnc1 ZINC001153496196 782116829 /nfs/dbraw/zinc/11/68/29/782116829.db2.gz VQOYGDSZUHNOOA-VIFPVBQESA-N 0 3 253.306 -1.277 20 0 CAADHN COCCOCCOCCNC[C@@H](O)C(=O)OC ZINC001252439301 782115451 /nfs/dbraw/zinc/11/54/51/782115451.db2.gz AUTHUXJWHRZXHR-SNVBAGLBSA-N 0 3 265.306 -1.211 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cnn2cc[nH]c12 ZINC001149043249 782115681 /nfs/dbraw/zinc/11/56/81/782115681.db2.gz XVVTUJMRGIVAAC-UHFFFAOYSA-N 0 3 293.287 -1.823 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114317503 782117424 /nfs/dbraw/zinc/11/74/24/782117424.db2.gz WXDSZXXZPDILPI-UXCLJVHYSA-N 0 3 285.344 -1.824 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114320764 782117492 /nfs/dbraw/zinc/11/74/92/782117492.db2.gz ZXHXNYKWGRPETQ-UXCLJVHYSA-N 0 3 269.345 -1.060 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114335918 782117682 /nfs/dbraw/zinc/11/76/82/782117682.db2.gz DOWOIWCULARBAV-PJXYFTJBSA-N 0 3 295.343 -1.667 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c(OC)ncnc1OC ZINC001153590945 782119351 /nfs/dbraw/zinc/11/93/51/782119351.db2.gz CJXWDJFJBVRAHE-UHFFFAOYSA-N 0 3 297.315 -1.441 20 0 CAADHN CN1C[C@@H](NS(=O)(=O)N2CCNCC2)CC1=O ZINC000379891029 782119476 /nfs/dbraw/zinc/11/94/76/782119476.db2.gz DZMPDPWGXYGOTM-QMMMGPOBSA-N 0 3 262.335 -2.043 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114378711 782119640 /nfs/dbraw/zinc/11/96/40/782119640.db2.gz OIODVXRPWAQHLZ-MBTKJCJQSA-N 0 3 256.306 -2.046 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114368609 782118579 /nfs/dbraw/zinc/11/85/79/782118579.db2.gz PTEBIRCQRJNRFO-IWIIMEHWSA-N 0 3 285.344 -1.822 20 0 CAADHN Cn1ccnc1COCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114445122 782121054 /nfs/dbraw/zinc/12/10/54/782121054.db2.gz JYDJNIODFVEMGJ-YABSGUDNSA-N 0 3 294.355 -1.025 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114439518 782121089 /nfs/dbraw/zinc/12/10/89/782121089.db2.gz MJJWHTCLHJWCKV-BRPSZJMVSA-N 0 3 255.318 -1.463 20 0 CAADHN CCS(=O)(=O)C[C@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923631168 782122441 /nfs/dbraw/zinc/12/24/41/782122441.db2.gz IXKZXXWPOVZPMO-VIFPVBQESA-N 0 3 299.418 -1.451 20 0 CAADHN Cn1cc(CCC(=O)NCCN[C@@H]2CCNC2=O)nn1 ZINC001153761137 782122732 /nfs/dbraw/zinc/12/27/32/782122732.db2.gz DSARCYFUZUVBAB-SNVBAGLBSA-N 0 3 280.332 -1.658 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NCCNCC(=O)N1CCC1 ZINC001153887089 782123556 /nfs/dbraw/zinc/12/35/56/782123556.db2.gz NXFGKYJNPQSEBN-SECBINFHSA-N 0 3 296.327 -2.023 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153886837 782123817 /nfs/dbraw/zinc/12/38/17/782123817.db2.gz JVIHAIQGAFZTIY-SFYZADRCSA-N 0 3 284.316 -2.121 20 0 CAADHN NCC(F)(F)C[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000923633968 782122807 /nfs/dbraw/zinc/12/28/07/782122807.db2.gz LTPRPWHZBAHXOK-UHFFFAOYSA-N 0 3 258.294 -1.680 20 0 CAADHN Cn1cc(CCC(=O)NCCN[C@H]2CCNC2=O)nn1 ZINC001153761136 782122984 /nfs/dbraw/zinc/12/29/84/782122984.db2.gz DSARCYFUZUVBAB-JTQLQIEISA-N 0 3 280.332 -1.658 20 0 CAADHN CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923631165 782123037 /nfs/dbraw/zinc/12/30/37/782123037.db2.gz IXKZXXWPOVZPMO-SECBINFHSA-N 0 3 299.418 -1.451 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](C)N1CCOCC1 ZINC001153845042 782124236 /nfs/dbraw/zinc/12/42/36/782124236.db2.gz LDVXKBOLYKICBR-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN CN(C)CCONC(=O)c1cn(CC(N)=O)nn1 ZINC001299345035 782128418 /nfs/dbraw/zinc/12/84/18/782128418.db2.gz ZLOBTSXYLCXEHM-UHFFFAOYSA-N 0 3 256.266 -2.014 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001095338269 782129660 /nfs/dbraw/zinc/12/96/60/782129660.db2.gz QOQCJSSAVOTJMC-UTLUCORTSA-N 0 3 281.316 -1.303 20 0 CAADHN C[C@@H](O)CN1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001274046103 782130313 /nfs/dbraw/zinc/13/03/13/782130313.db2.gz CFHVMKSYIBNWCN-LLVKDONJSA-N 0 3 271.361 -1.158 20 0 CAADHN CNC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650360136 582109747 /nfs/dbraw/zinc/10/97/47/582109747.db2.gz QICLQDHIWJPMFK-UHFFFAOYSA-N 0 3 256.306 -2.035 20 0 CAADHN C[C@H](CNC(=S)NCCNS(C)(=O)=O)N(C)C ZINC000727073596 582114967 /nfs/dbraw/zinc/11/49/67/582114967.db2.gz FLTWYGYQNOSCBN-MRVPVSSYSA-N 0 3 282.435 -1.050 20 0 CAADHN CN(C)CCN1CCN(C(=S)NCC(N)=O)CC1 ZINC000727069668 582114890 /nfs/dbraw/zinc/11/48/90/582114890.db2.gz DPNLLABVISCYLS-UHFFFAOYSA-N 0 3 273.406 -1.475 20 0 CAADHN CCO[C@@H](CNC(=S)NCC(N)=O)CN(C)C ZINC000899565448 582121140 /nfs/dbraw/zinc/12/11/40/582121140.db2.gz FWYLUMXDXOVQJQ-QMMMGPOBSA-N 0 3 262.379 -1.098 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN(C)CCO)C1 ZINC000899735125 582122365 /nfs/dbraw/zinc/12/23/65/582122365.db2.gz XPVDUFNRDYHECF-LLVKDONJSA-N 0 3 259.350 -1.253 20 0 CAADHN CN(CCO)CCNC(=O)[C@H]1CCCN(C)C1=O ZINC000899738684 582122355 /nfs/dbraw/zinc/12/23/55/582122355.db2.gz LJVVSDNJXLCKNV-SNVBAGLBSA-N 0 3 257.334 -1.105 20 0 CAADHN CN(CCO)CCNC(=O)CCN1CCOC1=O ZINC000899732284 582122471 /nfs/dbraw/zinc/12/24/71/582122471.db2.gz GKTRNZFHCLWHBV-UHFFFAOYSA-N 0 3 259.306 -1.131 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@]2(CCN(C[C@H](C)O)C2)OCC1=O ZINC001274046615 782131212 /nfs/dbraw/zinc/13/12/12/782131212.db2.gz GDZNBMXJWRQTQP-WDMOLILDSA-N 0 3 299.371 -1.066 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@]2(CCN(C[C@@H](C)O)C2)OCC1=O ZINC001274046612 782131479 /nfs/dbraw/zinc/13/14/79/782131479.db2.gz GDZNBMXJWRQTQP-GYSYKLTISA-N 0 3 299.371 -1.066 20 0 CAADHN CCNC(=O)CN1C[C@]2(CCN(C[C@H](C)O)C2)OCC1=O ZINC001274047299 782132200 /nfs/dbraw/zinc/13/22/00/782132200.db2.gz NRBCSFBZNAJXIO-SMDDNHRTSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)C(=O)CCN1CC[C@@]2(CCN(CC(N)=O)C2)C1=O ZINC001274062649 782133696 /nfs/dbraw/zinc/13/36/96/782133696.db2.gz ZSCINHRYNDKJNU-CQSZACIVSA-N 0 3 296.371 -1.126 20 0 CAADHN NC(=O)CN1CC[C@@]2(CCN(C[C@@H]3CCC(=O)N3)C2=O)C1 ZINC001274062401 782133710 /nfs/dbraw/zinc/13/37/10/782133710.db2.gz XGTZRBJPAXWEIW-IINYFYTJSA-N 0 3 294.355 -1.325 20 0 CAADHN CN(C)CCN1C(=O)COCC12CN(CC(N)=O)C2 ZINC001274061235 782133932 /nfs/dbraw/zinc/13/39/32/782133932.db2.gz BIBRUMCJOPBEDY-UHFFFAOYSA-N 0 3 270.333 -2.054 20 0 CAADHN Cn1cnnc1CN1CC[C@@]2(CCN(CC(N)=O)C2)C1=O ZINC001274062434 782133978 /nfs/dbraw/zinc/13/39/78/782133978.db2.gz XQDQZMHWZSTLBF-CYBMUJFWSA-N 0 3 292.343 -1.275 20 0 CAADHN NC(=O)CN1CC[C@@]2(CCN(C[C@H]3CCC(=O)N3)C2=O)C1 ZINC001274062403 782134002 /nfs/dbraw/zinc/13/40/02/782134002.db2.gz XGTZRBJPAXWEIW-QMTHXVAHSA-N 0 3 294.355 -1.325 20 0 CAADHN CCNC(=O)CN1CC[C@]2(CCN(CC(N)=O)C2)C1=O ZINC001274062825 782134090 /nfs/dbraw/zinc/13/40/90/782134090.db2.gz YNURNTWDXKJUIA-ZDUSSCGKSA-N 0 3 282.344 -1.468 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@]2(CCN(CC(=O)NC)C2)C1=O ZINC001274072975 782135361 /nfs/dbraw/zinc/13/53/61/782135361.db2.gz JBGQBODNKXISTI-HZMBPMFUSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CCC(=O)NC1 ZINC001274152663 782136605 /nfs/dbraw/zinc/13/66/05/782136605.db2.gz GQFHOTZZIOGOMW-SEUFLZDSSA-N 0 3 296.371 -1.091 20 0 CAADHN CCNC(=O)CC(=O)N1C[C@H](C)[C@H](NCC(=O)NC)C1 ZINC001274188017 782137185 /nfs/dbraw/zinc/13/71/85/782137185.db2.gz CZFZCLWUZXLABJ-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN Cn1cc(C(=O)N2C[C@@H]3C[C@H]2CN(C)C3)c(=O)n(C)c1=O ZINC001274149465 782137356 /nfs/dbraw/zinc/13/73/56/782137356.db2.gz ZIZFRCUCBFRKIL-ZJUUUORDSA-N 0 3 292.339 -1.140 20 0 CAADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@@H](NCC(N)=O)C2)CC1 ZINC001274259506 782141897 /nfs/dbraw/zinc/14/18/97/782141897.db2.gz FIOPOEMWCNEGCJ-BDAKNGLRSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001274240132 782141970 /nfs/dbraw/zinc/14/19/70/782141970.db2.gz NFKRSXYZBRXBMA-UHFFFAOYSA-N 0 3 270.333 -1.199 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001274262996 782142043 /nfs/dbraw/zinc/14/20/43/782142043.db2.gz LGXCJHRWKKHDQF-VEMNSZJBSA-N 0 3 281.316 -1.125 20 0 CAADHN C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1NCC(=O)N(C)C ZINC001274250647 782142158 /nfs/dbraw/zinc/14/21/58/782142158.db2.gz JEUAKVRCETYCKK-UWVGGRQHSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NCC(=O)N(C)C ZINC001274250649 782142261 /nfs/dbraw/zinc/14/22/61/782142261.db2.gz JEUAKVRCETYCKK-VHSXEESVSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001274325328 782143855 /nfs/dbraw/zinc/14/38/55/782143855.db2.gz MPLFQYGNHLGBLC-ORAHPGNNSA-N 0 3 296.371 -1.009 20 0 CAADHN COCCOCCC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001274300088 782143953 /nfs/dbraw/zinc/14/39/53/782143953.db2.gz WCWHKNVXYAPSRB-QWRGUYRKSA-N 0 3 287.360 -1.039 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@]1(C)CCNC1=O ZINC001274359711 782145977 /nfs/dbraw/zinc/14/59/77/782145977.db2.gz GVVYBELDNKUHDC-QMAPXWJMSA-N 0 3 296.371 -1.091 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C\CNC(=O)c1cnn(C)n1 ZINC001274439323 782146502 /nfs/dbraw/zinc/14/65/02/782146502.db2.gz SQNDAAVYQXVHTE-XRVBUDJMSA-N 0 3 280.332 -1.175 20 0 CAADHN Cn1ncc(C(=O)NC/C=C\CN[C@H]2CCN(C)C2=O)n1 ZINC001274438797 782146534 /nfs/dbraw/zinc/14/65/34/782146534.db2.gz MOIZWJUWAIRYGE-XOULXFPDSA-N 0 3 292.343 -1.079 20 0 CAADHN CNC(=O)CNC/C=C/CNC(=O)CCN1CCOCC1 ZINC001274438287 782146726 /nfs/dbraw/zinc/14/67/26/782146726.db2.gz GRBMMTZJURSRDA-NSCUHMNNSA-N 0 3 298.387 -1.283 20 0 CAADHN Cn1ncc(C(=O)NC/C=C/CN[C@H]2CCN(C)C2=O)n1 ZINC001274438794 782147287 /nfs/dbraw/zinc/14/72/87/782147287.db2.gz MOIZWJUWAIRYGE-FSIBCCDJSA-N 0 3 292.343 -1.079 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@]2(CCN(C[C@H](C)O)C2)OCC1=O ZINC001274559200 782149479 /nfs/dbraw/zinc/14/94/79/782149479.db2.gz GDZNBMXJWRQTQP-MJVIPROJSA-N 0 3 299.371 -1.066 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC001274542904 782149834 /nfs/dbraw/zinc/14/98/34/782149834.db2.gz CIHYRIUWRSUFSF-SECBINFHSA-N 0 3 298.343 -2.449 20 0 CAADHN O=C1CO[C@@]2(CCN(C[C@H](O)CO)C2)CN1CC(F)F ZINC001274570052 782151047 /nfs/dbraw/zinc/15/10/47/782151047.db2.gz UOSWKXIARXCZFG-JOYOIKCWSA-N 0 3 294.298 -1.092 20 0 CAADHN CN1C[C@@]2(CC1=O)COCCN(C[C@H](O)CO)C2 ZINC001274573876 782151162 /nfs/dbraw/zinc/15/11/62/782151162.db2.gz WCEKUMQTKKHSFH-CMPLNLGQSA-N 0 3 258.318 -1.480 20 0 CAADHN COC(=O)[C@@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2C1COC1 ZINC001274606346 782152953 /nfs/dbraw/zinc/15/29/53/782152953.db2.gz ZPAUVEZCXKMUIZ-UTUOFQBUSA-N 0 3 298.339 -1.016 20 0 CAADHN CCN1CCO[C@H](C(=O)NC/C=C\CN[C@@H](C)C(N)=O)C1 ZINC001274598719 782152986 /nfs/dbraw/zinc/15/29/86/782152986.db2.gz DHDDLLOMXFEPES-DFPOMNKCSA-N 0 3 298.387 -1.157 20 0 CAADHN CCNC(=O)CN1C(=O)CC[C@@H]2[C@H]1CCN2C[C@H](O)CO ZINC001274564185 782151828 /nfs/dbraw/zinc/15/18/28/782151828.db2.gz GKMJOFNKTFFRBF-QJPTWQEYSA-N 0 3 299.371 -1.459 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCn1cncn1 ZINC001274679565 782154447 /nfs/dbraw/zinc/15/44/47/782154447.db2.gz WTKCUSKGGZKWPE-SECBINFHSA-N 0 3 268.321 -1.492 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001274641208 782154742 /nfs/dbraw/zinc/15/47/42/782154742.db2.gz JJCXUMQLSMQONK-LTFJCZIQSA-N 0 3 297.359 -1.335 20 0 CAADHN CCOCC(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001274665489 782154834 /nfs/dbraw/zinc/15/48/34/782154834.db2.gz VUVGTFPAKGVTSM-SSDOTTSWSA-N 0 3 260.294 -1.688 20 0 CAADHN CSC[C@H](O)CNCCS(=O)(=O)N1CCOCC1 ZINC000818989492 582177050 /nfs/dbraw/zinc/17/70/50/582177050.db2.gz NQIWDBSSMDOIAW-SNVBAGLBSA-N 0 3 298.430 -1.038 20 0 CAADHN COC[C@@H](O)CN1CC[C@@]2(C1)CN(C)C(=O)CO2 ZINC001274643754 782155228 /nfs/dbraw/zinc/15/52/28/782155228.db2.gz VTZPFELITZIUPL-JQWIXIFHSA-N 0 3 258.318 -1.073 20 0 CAADHN CCNS(=O)(=O)CCNC[C@@H](O)CN(C)C1CC1 ZINC000819044115 582177056 /nfs/dbraw/zinc/17/70/56/582177056.db2.gz ZWDMBAIWFZOEMW-LLVKDONJSA-N 0 3 279.406 -1.030 20 0 CAADHN CCO[C@@H](CNC(=O)c1nnn(C)n1)CN(C)C ZINC000831719654 582203328 /nfs/dbraw/zinc/20/33/28/582203328.db2.gz SRJHFTMBAUPHFQ-QMMMGPOBSA-N 0 3 256.310 -1.093 20 0 CAADHN CCO[C@H](CNC(=O)CS(=O)(=O)NC)CN(C)C ZINC000831737062 582203333 /nfs/dbraw/zinc/20/33/33/582203333.db2.gz BITYJLUMXDICLM-SECBINFHSA-N 0 3 281.378 -1.382 20 0 CAADHN COC[C@H](NC(=O)N[C@H](CN)C(F)(F)F)C(N)=O ZINC000848597842 582226588 /nfs/dbraw/zinc/22/65/88/582226588.db2.gz DQJHRNUZSXQOQJ-CRCLSJGQSA-N 0 3 272.227 -1.325 20 0 CAADHN COCCN(C)C[C@H](O)CN1C(=O)N[C@H](C)C1=O ZINC000848675119 582226797 /nfs/dbraw/zinc/22/67/97/582226797.db2.gz REMGIUGUCGOGDK-BDAKNGLRSA-N 0 3 259.306 -1.134 20 0 CAADHN NCCN(CCO)C(=O)C(=O)NCC1=CCCC1 ZINC000851691701 582229481 /nfs/dbraw/zinc/22/94/81/582229481.db2.gz QVQVEIVXIDGQEU-UHFFFAOYSA-N 0 3 255.318 -1.008 20 0 CAADHN COC(=O)C1(O)CN(S(=O)(=O)CCCN(C)C)C1 ZINC000867873825 582255179 /nfs/dbraw/zinc/25/51/79/582255179.db2.gz AWPLFGRXRAVIJT-UHFFFAOYSA-N 0 3 280.346 -1.512 20 0 CAADHN C[C@H]1CN(CCNC(=O)[C@@H](N)CN(C)C)CCO1 ZINC000876746096 582263169 /nfs/dbraw/zinc/26/31/69/582263169.db2.gz IYTLLLWZFFPEAG-QWRGUYRKSA-N 0 3 258.366 -1.288 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000884626079 582275612 /nfs/dbraw/zinc/27/56/12/582275612.db2.gz AIEAFCZOJUYJEU-MRVPVSSYSA-N 0 3 256.306 -1.860 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)[C@]1(F)CCNC1 ZINC000877195644 582264543 /nfs/dbraw/zinc/26/45/43/582264543.db2.gz LBHKGVUSSNRIEA-VIFPVBQESA-N 0 3 267.326 -1.257 20 0 CAADHN COCCCN(C)CCNC(=O)c1nnn(C)n1 ZINC000878961966 582266746 /nfs/dbraw/zinc/26/67/46/582266746.db2.gz CSGHSCUODZAGOH-UHFFFAOYSA-N 0 3 256.310 -1.092 20 0 CAADHN CCN(CCO)CCNC(=O)C(=O)NCC1CC1 ZINC000339921866 521099235 /nfs/dbraw/zinc/09/92/35/521099235.db2.gz QPBYCNJRXWCBIG-UHFFFAOYSA-N 0 3 257.334 -1.057 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)C(N)C(F)(F)F ZINC000353158779 521679761 /nfs/dbraw/zinc/67/97/61/521679761.db2.gz ZFZUFCLUSGWEPU-YFKPBYRVSA-N 0 3 277.268 -1.069 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)CS(=O)(=O)N(C)C ZINC000332484617 533728357 /nfs/dbraw/zinc/72/83/57/533728357.db2.gz COWDPNKJBWPQFW-QMMMGPOBSA-N 0 3 251.352 -1.056 20 0 CAADHN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)N(C)CCN)CC1=O ZINC000419180083 533731834 /nfs/dbraw/zinc/73/18/34/533731834.db2.gz FLKHWRIUMKRNFG-UTLUCORTSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@H](CC(N)=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000358153424 533760065 /nfs/dbraw/zinc/76/00/65/533760065.db2.gz ITKYSAWSFHEAAD-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CC(=O)N(C)[C@@H](C)C1 ZINC000423720947 533773664 /nfs/dbraw/zinc/77/36/64/533773664.db2.gz ODPIUOJWTTXSAM-IUCAKERBSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000424553106 533788642 /nfs/dbraw/zinc/78/86/42/533788642.db2.gz YXHNFFBSQFYRMP-UWVGGRQHSA-N 0 3 280.332 -1.095 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C)C[C@H](CO)O1 ZINC000459895123 533798223 /nfs/dbraw/zinc/79/82/23/533798223.db2.gz JGGKDSFDJQFXCV-WDEREUQCSA-N 0 3 287.360 -1.385 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C)C[C@@H](CO)O1 ZINC000459895122 533798496 /nfs/dbraw/zinc/79/84/96/533798496.db2.gz JGGKDSFDJQFXCV-QWRGUYRKSA-N 0 3 287.360 -1.385 20 0 CAADHN C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)[C@@H](C)CN1 ZINC000237594966 533833966 /nfs/dbraw/zinc/83/39/66/533833966.db2.gz YLUWTTQQLYIVFZ-YUMQZZPRSA-N 0 3 254.290 -1.253 20 0 CAADHN C[C@@H](CN1CCN(C)CC1)NC(=O)COC1CNC1 ZINC000431024102 533836568 /nfs/dbraw/zinc/83/65/68/533836568.db2.gz UPIIGTSNZCXEKQ-NSHDSACASA-N 0 3 270.377 -1.273 20 0 CAADHN COC(=O)N(C)CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000496130092 533843437 /nfs/dbraw/zinc/84/34/37/533843437.db2.gz RGMANUCEAKHERS-RKDXNWHRSA-N 0 3 284.316 -1.545 20 0 CAADHN C[C@@H](CNC(=O)CN1CCNCC1=O)N1CCN(C)CC1 ZINC000431007735 533897975 /nfs/dbraw/zinc/89/79/75/533897975.db2.gz WHEQGWJGWPWYQG-LBPRGKRZSA-N 0 3 297.403 -1.830 20 0 CAADHN COC(=O)N1CC(NC(=O)C(=O)N2CCCC[C@@H]2CN)C1 ZINC000496647364 533898330 /nfs/dbraw/zinc/89/83/30/533898330.db2.gz GAVGZSRVAGPFQY-SNVBAGLBSA-N 0 3 298.343 -1.107 20 0 CAADHN COC(=O)N1CC(NC(=O)C(=O)N2CCC[C@H]2CN)C1 ZINC000497155114 533899442 /nfs/dbraw/zinc/89/94/42/533899442.db2.gz YNXKDLVQJYGOAG-VIFPVBQESA-N 0 3 284.316 -1.497 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001274780629 782158878 /nfs/dbraw/zinc/15/88/78/782158878.db2.gz DISCWMQZYODHET-HTQZYQBOSA-N 0 3 256.306 -1.956 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001274791780 782158901 /nfs/dbraw/zinc/15/89/01/782158901.db2.gz PRSNGTXIQRNYJZ-CSMHCCOUSA-N 0 3 297.315 -2.433 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001274791781 782158955 /nfs/dbraw/zinc/15/89/55/782158955.db2.gz PRSNGTXIQRNYJZ-PRJMDXOYSA-N 0 3 297.315 -2.433 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCS(C)(=O)=O ZINC001274810289 782159034 /nfs/dbraw/zinc/15/90/34/782159034.db2.gz JOINBLMYSRNJLF-SSDOTTSWSA-N 0 3 265.335 -1.999 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001274780630 782159126 /nfs/dbraw/zinc/15/91/26/782159126.db2.gz DISCWMQZYODHET-SFYZADRCSA-N 0 3 256.306 -1.956 20 0 CAADHN COC(=O)N1CC(NC(=O)C(C)S(C)(=O)=O)C1 ZINC000492097756 533924713 /nfs/dbraw/zinc/92/47/13/533924713.db2.gz AIWHMJXOOLLWOO-LURJTMIESA-N 0 3 264.303 -1.014 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cn[nH]c(=O)c1 ZINC001274797580 782159686 /nfs/dbraw/zinc/15/96/86/782159686.db2.gz RBJWFESRWZXQIZ-RQJHMYQMSA-N 0 3 267.289 -1.236 20 0 CAADHN C[C@H]1CNCCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000423660361 534005687 /nfs/dbraw/zinc/00/56/87/534005687.db2.gz KFEIVYSMMFCROK-SDDRHHMPSA-N 0 3 280.372 -1.031 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COCCN1)CN1CCN(C)CC1 ZINC000431002990 534014568 /nfs/dbraw/zinc/01/45/68/534014568.db2.gz FCGIFHYEJGIAAO-STQMWFEESA-N 0 3 284.404 -1.026 20 0 CAADHN COC(=O)NCC(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000495615598 534038726 /nfs/dbraw/zinc/03/87/26/534038726.db2.gz BLTNKNASGXLTQK-LBPRGKRZSA-N 0 3 271.317 -1.085 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000497085744 534039450 /nfs/dbraw/zinc/03/94/50/534039450.db2.gz VZJFEVUZLFQYHT-QMMMGPOBSA-N 0 3 274.321 -1.475 20 0 CAADHN C[C@H](CN1CCN(C)CC1)NC(=O)COC1CNC1 ZINC000431024100 534059478 /nfs/dbraw/zinc/05/94/78/534059478.db2.gz UPIIGTSNZCXEKQ-LLVKDONJSA-N 0 3 270.377 -1.273 20 0 CAADHN COC(=O)NCCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000496293510 534080129 /nfs/dbraw/zinc/08/01/29/534080129.db2.gz OESUJPKFOWSGRE-UHFFFAOYSA-N 0 3 297.319 -1.101 20 0 CAADHN C[C@H](O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000352696976 534085727 /nfs/dbraw/zinc/08/57/27/534085727.db2.gz VCSANBSEMDIKSN-UWVGGRQHSA-N 0 3 257.334 -1.107 20 0 CAADHN COC(=O)NCCCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000497177637 534092659 /nfs/dbraw/zinc/09/26/59/534092659.db2.gz KXNRWVDTJUJHOL-VHSXEESVSA-N 0 3 298.343 -1.107 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)CNC(=O)CN)CN1C1CC1 ZINC000347662753 534103230 /nfs/dbraw/zinc/10/32/30/534103230.db2.gz FCBXRIHLLVHBBR-DTWKUNHWSA-N 0 3 254.334 -1.197 20 0 CAADHN C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000434704047 534107851 /nfs/dbraw/zinc/10/78/51/534107851.db2.gz CNEBZGXFGLXJIG-YUMQZZPRSA-N 0 3 254.290 -1.205 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cn[nH]c(=O)c1 ZINC001274797579 782160146 /nfs/dbraw/zinc/16/01/46/782160146.db2.gz RBJWFESRWZXQIZ-RNFRBKRXSA-N 0 3 267.289 -1.236 20 0 CAADHN C[C@@H](CO)N1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000347230506 534129279 /nfs/dbraw/zinc/12/92/79/534129279.db2.gz NFLTYZBTQKZMLY-JTQLQIEISA-N 0 3 268.321 -1.412 20 0 CAADHN C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000433709264 534132466 /nfs/dbraw/zinc/13/24/66/534132466.db2.gz VIALYCLJZZIPMT-VHSXEESVSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@@H]1OC(=O)N[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000496239498 534134458 /nfs/dbraw/zinc/13/44/58/534134458.db2.gz PHZFPJFIERYIIV-JBDRJPRFSA-N 0 3 257.290 -1.383 20 0 CAADHN CN(C)CCN1C(=O)COCC12CN(S(C)(=O)=O)C2 ZINC001274905373 782160697 /nfs/dbraw/zinc/16/06/97/782160697.db2.gz LZLKHTDAFQGNRF-UHFFFAOYSA-N 0 3 291.373 -1.579 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCNC1=O ZINC001274878139 782160815 /nfs/dbraw/zinc/16/08/15/782160815.db2.gz RQFXXTAXJPXTRM-HTQZYQBOSA-N 0 3 296.331 -2.161 20 0 CAADHN COC(=O)[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)OC ZINC000347804578 534260404 /nfs/dbraw/zinc/26/04/04/534260404.db2.gz ADBCJPOSSACKLV-WDEREUQCSA-N 0 3 285.344 -1.320 20 0 CAADHN COC(=O)[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)OC ZINC000347804565 534261433 /nfs/dbraw/zinc/26/14/33/534261433.db2.gz ADBCJPOSSACKLV-GHMZBOCLSA-N 0 3 285.344 -1.320 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC(=O)N1 ZINC000422118989 534279609 /nfs/dbraw/zinc/27/96/09/534279609.db2.gz RPKHMDJJTIKCGP-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@@H](N)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000167570398 534286843 /nfs/dbraw/zinc/28/68/43/534286843.db2.gz VOYCBJDTBIYHKK-NEPJUHHUSA-N 0 3 298.387 -1.275 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261882039 534286930 /nfs/dbraw/zinc/28/69/30/534286930.db2.gz UGOUAIOOVNDZFP-SNVBAGLBSA-N 0 3 256.350 -1.044 20 0 CAADHN C[C@@H](N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803661 534286997 /nfs/dbraw/zinc/28/69/97/534286997.db2.gz AHNYRQQTGOUYIK-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N[C@H](CN)C2CC2)C[C@H](CO)O1 ZINC000420055304 534295138 /nfs/dbraw/zinc/29/51/38/534295138.db2.gz GHGVRRIPWZRNEG-FBIMIBRVSA-N 0 3 285.344 -1.552 20 0 CAADHN C[C@@H]1CN(C(=O)NCCN2CCNC(=O)C2)[C@@H](C)CN1 ZINC000333658915 534312449 /nfs/dbraw/zinc/31/24/49/534312449.db2.gz WTAMPOXGYCVTQC-MNOVXSKESA-N 0 3 283.376 -1.190 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CCCO3)CCN2C1=O ZINC000568268042 518197688 /nfs/dbraw/zinc/19/76/88/518197688.db2.gz QKEFHBCZZLGYRC-OPRDCNLKSA-N 0 3 253.302 -1.064 20 0 CAADHN CO[C@H](C)C(=O)NC1(CO)CCN(CCO)CC1 ZINC001274898147 782161005 /nfs/dbraw/zinc/16/10/05/782161005.db2.gz XIDGTUURJQPNEX-SNVBAGLBSA-N 0 3 260.334 -1.043 20 0 CAADHN CC(C)(C)N1CC[C@](F)(C(=O)NC(C(N)=O)C(N)=O)C1 ZINC000289466777 518715088 /nfs/dbraw/zinc/71/50/88/518715088.db2.gz WMAZUSUGDSFEHF-GFCCVEGCSA-N 0 3 288.323 -1.346 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NCCNC(=O)[C@@H]1CCNC1=O ZINC001293038176 782161241 /nfs/dbraw/zinc/16/12/41/782161241.db2.gz AABDOIJZGBDRSM-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)NC(=O)CN1CC[C@H](CN2CCOCC2)C1 ZINC000129267520 534385696 /nfs/dbraw/zinc/38/56/96/534385696.db2.gz IMSBPTLSVZGQNR-SNVBAGLBSA-N 0 3 270.333 -1.165 20 0 CAADHN NC(=O)NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000343673545 534386256 /nfs/dbraw/zinc/38/62/56/534386256.db2.gz RHZURZJWDGCUIL-UHFFFAOYSA-N 0 3 297.359 -1.579 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)c1cc[n+]([O-])cc1 ZINC001274891419 782161579 /nfs/dbraw/zinc/16/15/79/782161579.db2.gz GKMOCOJFPNOGNJ-UHFFFAOYSA-N 0 3 295.339 -1.131 20 0 CAADHN O=C(CCN1C[C@@H](O)[C@H](O)C1)NC(=O)NCC(F)(F)F ZINC000444705300 534416398 /nfs/dbraw/zinc/41/63/98/534416398.db2.gz LNXDOBLZZRGDGW-RNFRBKRXSA-N 0 3 299.249 -1.198 20 0 CAADHN O=C(COC1CNC1)NCCC(=O)Nc1ccncc1 ZINC000430874780 534420604 /nfs/dbraw/zinc/42/06/04/534420604.db2.gz HHOUNYNJSIRZEX-UHFFFAOYSA-N 0 3 278.312 -1.063 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H](CNC(=O)CNC[C@@H]2CCCO2)O1 ZINC000430844015 534434551 /nfs/dbraw/zinc/43/45/51/534434551.db2.gz HYPYPQFHXKEHSM-DCAQKATOSA-N 0 3 285.344 -1.096 20 0 CAADHN O=C(CCOC1CNC1)N1CCN(CCO)CC1 ZINC000262310233 534435945 /nfs/dbraw/zinc/43/59/45/534435945.db2.gz CULIRMRNCRMWQK-UHFFFAOYSA-N 0 3 257.334 -1.499 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC1(CN(C)C)CCC1 ZINC000339400658 519651645 /nfs/dbraw/zinc/65/16/45/519651645.db2.gz RPICHRYHSHCIID-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2C[C@@H](O)CN2)C1=O ZINC000276682635 519666148 /nfs/dbraw/zinc/66/61/48/519666148.db2.gz TVDZAXXLXWTTHG-IWSPIJDZSA-N 0 3 269.301 -1.639 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](CNC(=O)CNC[C@@H]2CCCO2)O1 ZINC000430844014 534439405 /nfs/dbraw/zinc/43/94/05/534439405.db2.gz HYPYPQFHXKEHSM-AXFHLTTASA-N 0 3 285.344 -1.096 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@H]2CCCO2)n1 ZINC000339975220 519699359 /nfs/dbraw/zinc/69/93/59/519699359.db2.gz FODLZDNCMASSMA-SNVBAGLBSA-N 0 3 296.375 -1.047 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NCC[C@@H](C)O)n1 ZINC000340021082 519699389 /nfs/dbraw/zinc/69/93/89/519699389.db2.gz ZPKJGCFCPDJSDH-SECBINFHSA-N 0 3 284.364 -1.455 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H](O)C2)n1 ZINC000339974302 519699488 /nfs/dbraw/zinc/69/94/88/519699488.db2.gz XEFHWCPUDYJSJG-JTQLQIEISA-N 0 3 296.375 -1.099 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H](O)C2)n1 ZINC000339974303 519699542 /nfs/dbraw/zinc/69/95/42/519699542.db2.gz XEFHWCPUDYJSJG-SNVBAGLBSA-N 0 3 296.375 -1.099 20 0 CAADHN CN1CC[C@@H](C(=O)NC2(CO)CCN(CCO)CC2)C1=O ZINC001274923676 782162133 /nfs/dbraw/zinc/16/21/33/782162133.db2.gz JRFJMGYNJAQKSS-NSHDSACASA-N 0 3 299.371 -1.600 20 0 CAADHN O=C(NC1(CO)CCN(CCCO)CC1)[C@@H]1CCNC1=O ZINC001274924887 782162243 /nfs/dbraw/zinc/16/22/43/782162243.db2.gz YRLYZXGDHBBPTM-LLVKDONJSA-N 0 3 299.371 -1.552 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000430278260 534459183 /nfs/dbraw/zinc/45/91/83/534459183.db2.gz PNLFWUCKDDMGKI-NXEZZACHSA-N 0 3 271.317 -1.532 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000353184135 534459321 /nfs/dbraw/zinc/45/93/21/534459321.db2.gz PNHWJKBRRYNJPN-UHNVWZDZSA-N 0 3 255.196 -1.411 20 0 CAADHN CCN(C(=O)C(C)S(C)(=O)=O)[C@H]1CC(=O)NC1=O ZINC000265133148 520018006 /nfs/dbraw/zinc/01/80/06/520018006.db2.gz ACHBFMKREVGEPM-RQJHMYQMSA-N 0 3 276.314 -1.317 20 0 CAADHN CCN(C(=O)C(C)S(C)(=O)=O)[C@H]1CC(=O)NC1=O ZINC000265133141 520042854 /nfs/dbraw/zinc/04/28/54/520042854.db2.gz ACHBFMKREVGEPM-BQBZGAKWSA-N 0 3 276.314 -1.317 20 0 CAADHN CCN(C(=O)C(C)S(C)(=O)=O)[C@@H]1CC(=O)NC1=O ZINC000265133142 520043096 /nfs/dbraw/zinc/04/30/96/520043096.db2.gz ACHBFMKREVGEPM-NKWVEPMBSA-N 0 3 276.314 -1.317 20 0 CAADHN CCN(C)CCNC(=O)NCCN1C(=O)CNC1=O ZINC000265108792 520229073 /nfs/dbraw/zinc/22/90/73/520229073.db2.gz WJHAGAGMNZGIBM-UHFFFAOYSA-N 0 3 271.321 -1.211 20 0 CAADHN CCOC(=O)C(NC(=O)[C@@H](CN)OC)C(=O)OCC ZINC000289477484 520433466 /nfs/dbraw/zinc/43/34/66/520433466.db2.gz DZCGYLQQMMQJHU-SSDOTTSWSA-N 0 3 276.289 -1.429 20 0 CAADHN CCC[C@@H](N)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000236909602 520718920 /nfs/dbraw/zinc/71/89/20/520718920.db2.gz WHOXDITTXZXHLY-SNVBAGLBSA-N 0 3 292.405 -1.454 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)/C=C/CN(C)C ZINC000265643298 520755517 /nfs/dbraw/zinc/75/55/17/520755517.db2.gz MLQSRIRYRMWQBR-AATRIKPKSA-N 0 3 271.317 -1.019 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)NCC[C@H]1CCC[NH2+]1 ZINC000444267412 534516466 /nfs/dbraw/zinc/51/64/66/534516466.db2.gz GFXXQMHAEASHMO-MRVPVSSYSA-N 0 3 254.290 -1.204 20 0 CAADHN NC1(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC000353499684 534529270 /nfs/dbraw/zinc/52/92/70/534529270.db2.gz GYSZQRGCIGYMMR-UHFFFAOYSA-N 0 3 280.328 -1.573 20 0 CAADHN CCN(CCO)CCNC(=O)CCn1ncn(C)c1=O ZINC000293492680 521103456 /nfs/dbraw/zinc/10/34/56/521103456.db2.gz MIOMORLIONYFRX-UHFFFAOYSA-N 0 3 285.348 -1.598 20 0 CAADHN O=C(CN1CCNCC1=O)N[C@H]1CCN(C2CC2)C1 ZINC000431039047 534539272 /nfs/dbraw/zinc/53/92/72/534539272.db2.gz GMDVZVSYBBORRP-JTQLQIEISA-N 0 3 266.345 -1.229 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000356136147 521110482 /nfs/dbraw/zinc/11/04/82/521110482.db2.gz YAUCRXCQYPVNRT-VHSXEESVSA-N 0 3 273.333 -1.550 20 0 CAADHN NCC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000430753404 534572183 /nfs/dbraw/zinc/57/21/83/534572183.db2.gz KHKHOFUZXKBYFG-UHFFFAOYSA-N 0 3 298.368 -1.059 20 0 CAADHN NCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000347496222 534573221 /nfs/dbraw/zinc/57/32/21/534573221.db2.gz DCJKUELQZFYBMJ-UHFFFAOYSA-N 0 3 254.290 -2.106 20 0 CAADHN NCC(=O)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000347462516 534573649 /nfs/dbraw/zinc/57/36/49/534573649.db2.gz YHFUYNIZWPYFIO-UHFFFAOYSA-N 0 3 284.341 -1.127 20 0 CAADHN NCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000347620526 534573667 /nfs/dbraw/zinc/57/36/67/534573667.db2.gz GEWMZURUXNUECG-UHFFFAOYSA-N 0 3 270.333 -2.052 20 0 CAADHN CCS(=O)(=O)N(C)CCCNC(=O)CNC ZINC000237017441 521656063 /nfs/dbraw/zinc/65/60/63/521656063.db2.gz QAECOUADYGYHTE-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN CCS(=O)(=O)N1CCN(C(=O)C2(N)CC2)CC1 ZINC000151041954 521664710 /nfs/dbraw/zinc/66/47/10/521664710.db2.gz FZEGKFROLHAVJR-UHFFFAOYSA-N 0 3 261.347 -1.028 20 0 CAADHN CCS(=O)(=O)N1CCN(C(=O)[C@@H](CN)OC)CC1 ZINC000353137189 521665736 /nfs/dbraw/zinc/66/57/36/521665736.db2.gz XZRFDXQDGSGCLG-SECBINFHSA-N 0 3 279.362 -1.546 20 0 CAADHN CCN1CCN(CC(=O)NCCN(C)C)C(=O)C1=O ZINC000119841023 521675305 /nfs/dbraw/zinc/67/53/05/521675305.db2.gz ZHVLOSNGXHCOHS-UHFFFAOYSA-N 0 3 270.333 -1.645 20 0 CAADHN CCN1CCN(CCC(=O)NC[C@](C)(O)CO)CC1 ZINC000338620262 521678424 /nfs/dbraw/zinc/67/84/24/521678424.db2.gz IEMSYBLVSYFBBE-ZDUSSCGKSA-N 0 3 273.377 -1.127 20 0 CAADHN CNC(=O)[C@H]1CCCN1CCC(=O)NCC(=O)OC ZINC000264712727 521752868 /nfs/dbraw/zinc/75/28/68/521752868.db2.gz MYRQJBBFPZUMPQ-SECBINFHSA-N 0 3 271.317 -1.124 20 0 CAADHN O=C(CNC1(CO)CCCC1)N1CCNC(=O)C1 ZINC000175998640 534585962 /nfs/dbraw/zinc/58/59/62/534585962.db2.gz ROLSUBKODQCPQB-UHFFFAOYSA-N 0 3 255.318 -1.161 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@]2(O)CCOC2)CC1=O ZINC000339324600 521771624 /nfs/dbraw/zinc/77/16/24/521771624.db2.gz ZOSHABZONPEOMI-FZMZJTMJSA-N 0 3 299.371 -1.336 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)N1CCO[C@H](CO)C1 ZINC000430544797 534591983 /nfs/dbraw/zinc/59/19/83/534591983.db2.gz UVJVIMWVLVGHTK-QWRGUYRKSA-N 0 3 258.318 -1.025 20 0 CAADHN CN(C)CCn1nnnc1SCCNS(C)(=O)=O ZINC000340930579 521821592 /nfs/dbraw/zinc/82/15/92/521821592.db2.gz XBMRQFJSCITJRM-UHFFFAOYSA-N 0 3 294.406 -1.124 20 0 CAADHN CN(C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCOC2)CCO1 ZINC000339341025 521848741 /nfs/dbraw/zinc/84/87/41/521848741.db2.gz KIWUYFXOQJATRW-NWDGAFQWSA-N 0 3 299.371 -1.072 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)N1CCN2C(=O)NC[C@H]2C1 ZINC000430062124 534594059 /nfs/dbraw/zinc/59/40/59/534594059.db2.gz TXQPIJZWJVFXAJ-QWRGUYRKSA-N 0 3 282.344 -1.009 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CNCCO1 ZINC000252566931 534601585 /nfs/dbraw/zinc/60/15/85/534601585.db2.gz ZYIVUGIDTLTXGV-IJLUTSLNSA-N 0 3 269.345 -1.046 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1COCCN1 ZINC000091668217 534602286 /nfs/dbraw/zinc/60/22/86/534602286.db2.gz ONLJAMWXWXAIMC-TUAOUCFPSA-N 0 3 269.345 -1.046 20 0 CAADHN O=C(COC1CNC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000429737171 534609263 /nfs/dbraw/zinc/60/92/63/534609263.db2.gz RIYYSUZCPSBHDJ-GFCCVEGCSA-N 0 3 297.355 -1.175 20 0 CAADHN O=C(COC1CNC1)NCCC(=O)N1CCOCC1 ZINC000429813985 534609542 /nfs/dbraw/zinc/60/95/42/534609542.db2.gz SVXCZCYRZPGZGE-UHFFFAOYSA-N 0 3 271.317 -1.660 20 0 CAADHN O=C(COC1CNC1)N1CCN(C2CC2)C(=O)C1 ZINC000261989058 534610952 /nfs/dbraw/zinc/61/09/52/534610952.db2.gz OVKSDDXSEJGVLN-UHFFFAOYSA-N 0 3 253.302 -1.192 20 0 CAADHN O=C(COC1CNC1)NCCCN1CCOCC1 ZINC000430852790 534611090 /nfs/dbraw/zinc/61/10/90/534611090.db2.gz UNTRHSLLWGKECT-UHFFFAOYSA-N 0 3 257.334 -1.187 20 0 CAADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@H]1COC(=O)N1 ZINC000496716226 534616585 /nfs/dbraw/zinc/61/65/85/534616585.db2.gz YOCQZVSXMHFOSV-BXKDBHETSA-N 0 3 269.301 -1.332 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000339283891 522218949 /nfs/dbraw/zinc/21/89/49/522218949.db2.gz PDGDOKNERVLJPG-VIFPVBQESA-N 0 3 278.378 -1.407 20 0 CAADHN COC[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000338680441 522415236 /nfs/dbraw/zinc/41/52/36/522415236.db2.gz FRTYYMCDNCSPCZ-QWRGUYRKSA-N 0 3 287.360 -1.480 20 0 CAADHN COC[C@@H](O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000338688732 522415399 /nfs/dbraw/zinc/41/53/99/522415399.db2.gz RXSMAYHOGISKIM-QWRGUYRKSA-N 0 3 257.334 -1.500 20 0 CAADHN O=C([C@H]1C[C@@H](O)CN1)N1CCN(C2CC2)C(=O)C1 ZINC000261934033 534644297 /nfs/dbraw/zinc/64/42/97/534644297.db2.gz JWPYSRIPLMWZCY-NXEZZACHSA-N 0 3 253.302 -1.458 20 0 CAADHN COCCN1CCC(CO)(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001274924690 782162881 /nfs/dbraw/zinc/16/28/81/782162881.db2.gz VPYYPUJPNMDXFS-LLVKDONJSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@H](CNCCS(C)(=O)=O)NC(=O)c1cnon1 ZINC001274963451 782162888 /nfs/dbraw/zinc/16/28/88/782162888.db2.gz WRDJLDYFGHLJST-SSDOTTSWSA-N 0 3 276.318 -1.178 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1)C(N)=O ZINC001274956972 782162904 /nfs/dbraw/zinc/16/29/04/782162904.db2.gz HLGLYKJSJBIBSU-VXNVDRBHSA-N 0 3 298.343 -1.603 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@H]1CCC(=O)N1 ZINC001274951560 782162929 /nfs/dbraw/zinc/16/29/29/782162929.db2.gz LMAPFCJODSQRLX-HTQZYQBOSA-N 0 3 256.306 -1.765 20 0 CAADHN NC[C@@H](NC(=O)C(=O)N1CCN(C2CC2)C(=O)C1)C1CC1 ZINC000420029043 534658461 /nfs/dbraw/zinc/65/84/61/534658461.db2.gz FCYIVWROSCNTML-LLVKDONJSA-N 0 3 294.355 -1.327 20 0 CAADHN COC[C@H](O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000338680442 522797588 /nfs/dbraw/zinc/79/75/88/522797588.db2.gz FRTYYMCDNCSPCZ-WDEREUQCSA-N 0 3 287.360 -1.480 20 0 CAADHN COCCN1CCC(CO)(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001274924691 782162936 /nfs/dbraw/zinc/16/29/36/782162936.db2.gz VPYYPUJPNMDXFS-NSHDSACASA-N 0 3 299.371 -1.288 20 0 CAADHN CN(CCNC(=O)NCCN1C(=O)CNC1=O)C1CC1 ZINC000265096064 522851439 /nfs/dbraw/zinc/85/14/39/522851439.db2.gz RPUHFNJFORKIQJ-UHFFFAOYSA-N 0 3 283.332 -1.068 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N2CCCNCC2)c1=O ZINC000428412094 534671466 /nfs/dbraw/zinc/67/14/66/534671466.db2.gz HBUNWKCNDLVISF-UHFFFAOYSA-N 0 3 266.301 -1.631 20 0 CAADHN [NH3+]C[C@@H]1CCCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000429000595 534680003 /nfs/dbraw/zinc/68/00/03/534680003.db2.gz XKAQRBQGSVFYPO-QMMMGPOBSA-N 0 3 254.290 -1.122 20 0 CAADHN COC(=O)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000265068848 523199021 /nfs/dbraw/zinc/19/90/21/523199021.db2.gz SRWNFDQRMKUGME-SECBINFHSA-N 0 3 271.317 -1.314 20 0 CAADHN COC(=O)CNC(=O)[C@H](C)N1CC[C@](C)(C(N)=O)C1 ZINC000280514336 523201157 /nfs/dbraw/zinc/20/11/57/523201157.db2.gz DGBZVGXWOQSXMD-UFBFGSQYSA-N 0 3 271.317 -1.139 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N(C)[C@H](C)CO ZINC000357579542 523217273 /nfs/dbraw/zinc/21/72/73/523217273.db2.gz PJWDKMWYNRZBNG-LLVKDONJSA-N 0 3 289.376 -1.090 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)/C=C/CN(C)C ZINC000265631694 523278851 /nfs/dbraw/zinc/27/88/51/523278851.db2.gz JOGUHLGXICPQCF-ORAHPGNNSA-N 0 3 283.328 -1.006 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000290073656 523502384 /nfs/dbraw/zinc/50/23/84/523502384.db2.gz VPHNFLHNHOZLED-JTQLQIEISA-N 0 3 281.316 -1.431 20 0 CAADHN CO[C@@H](CN)C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000289935577 523503157 /nfs/dbraw/zinc/50/31/57/523503157.db2.gz LEYRKPCFTYFHDT-YUMQZZPRSA-N 0 3 257.290 -1.388 20 0 CAADHN Cn1c2ncc(NC(=O)[C@@H]3C[C@@H]3N)cc2c(=O)n(C)c1=O ZINC000424144695 534715317 /nfs/dbraw/zinc/71/53/17/534715317.db2.gz XUXOOEFJJMLAJS-APPZFPTMSA-N 0 3 289.295 -1.082 20 0 CAADHN COC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126263285 523534637 /nfs/dbraw/zinc/53/46/37/523534637.db2.gz DOEFANPAOSHSDZ-APPZFPTMSA-N 0 3 259.306 -1.236 20 0 CAADHN COCCN(C)CCNC(=O)CN1CC(=O)NC1=O ZINC000264840452 523587332 /nfs/dbraw/zinc/58/73/32/523587332.db2.gz LALXDNNWZMMQCG-UHFFFAOYSA-N 0 3 272.305 -1.767 20 0 CAADHN COCCN(C)CCNC(=O)NCCNS(C)(=O)=O ZINC000339316547 523593710 /nfs/dbraw/zinc/59/37/10/523593710.db2.gz LBIJBFNHRLUSNH-UHFFFAOYSA-N 0 3 296.393 -1.587 20 0 CAADHN COCCN(C)CCNC(=O)NC[C@H](O)COC ZINC000338455654 523594197 /nfs/dbraw/zinc/59/41/97/523594197.db2.gz FGHLRAGKMDRPJN-JTQLQIEISA-N 0 3 263.338 -1.129 20 0 CAADHN COCCN(C)CCNC(=O)N1C[C@H](O)C[C@H]1CO ZINC000364045325 523594426 /nfs/dbraw/zinc/59/44/26/523594426.db2.gz ZNCNXPUVDFILDV-WDEREUQCSA-N 0 3 275.349 -1.298 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N2CCCN(C)CC2)C1=O ZINC000265052507 523676828 /nfs/dbraw/zinc/67/68/28/523676828.db2.gz WRXWQASWWWRHGD-UHFFFAOYSA-N 0 3 282.300 -1.429 20 0 CAADHN COCCN(CCO)C(=O)C(C)S(C)(=O)=O ZINC000160345848 523701807 /nfs/dbraw/zinc/70/18/07/523701807.db2.gz NQAMLPQSBZEULI-MRVPVSSYSA-N 0 3 253.320 -1.113 20 0 CAADHN COCCN(CCOC)S(=O)(=O)N1CCNCC1 ZINC000040861881 523720985 /nfs/dbraw/zinc/72/09/85/523720985.db2.gz WIHXQDRFJKDHGJ-UHFFFAOYSA-N 0 3 281.378 -1.269 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N2CCCNCC2)C[C@@H]1OC ZINC000234990585 523728000 /nfs/dbraw/zinc/72/80/00/523728000.db2.gz BVALVYQROJJIQT-PHIMTYICSA-N 0 3 285.344 -1.320 20 0 CAADHN CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)C1CCN(C)CC1 ZINC000265070089 523817115 /nfs/dbraw/zinc/81/71/15/523817115.db2.gz VFYLVKCMVYWKBN-UHFFFAOYSA-N 0 3 296.327 -1.040 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000264721242 523862969 /nfs/dbraw/zinc/86/29/69/523862969.db2.gz CVUFDURKDZFZJY-SECBINFHSA-N 0 3 284.316 -1.625 20 0 CAADHN CN1CCN(C(=O)CN2CC[C@H](CC(N)=O)C2)CC1 ZINC000367987613 523873687 /nfs/dbraw/zinc/87/36/87/523873687.db2.gz GHEHVRMUJQCXLM-LLVKDONJSA-N 0 3 268.361 -1.042 20 0 CAADHN CN1CCN(C(=O)CN2CC[C@@H](CC(N)=O)C2)CC1 ZINC000367987614 523873773 /nfs/dbraw/zinc/87/37/73/523873773.db2.gz GHEHVRMUJQCXLM-NSHDSACASA-N 0 3 268.361 -1.042 20 0 CAADHN CN1CC[C@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC000339921246 523992720 /nfs/dbraw/zinc/99/27/20/523992720.db2.gz CMHOENLHKQRYGA-LBPRGKRZSA-N 0 3 255.318 -1.305 20 0 CAADHN COCCOCCNC(=O)C(=O)N(C)CCN(C)C ZINC000340720117 524002566 /nfs/dbraw/zinc/00/25/66/524002566.db2.gz VGSHLWFTDZXHDC-UHFFFAOYSA-N 0 3 275.349 -1.214 20 0 CAADHN CNC(=O)CN1CCN(C(=O)/C=C/CN(C)C)CC1 ZINC000265870366 524072450 /nfs/dbraw/zinc/07/24/50/524072450.db2.gz GLKJVYWYFZUVGJ-SNAWJCMRSA-N 0 3 268.361 -1.006 20 0 CAADHN CNC(=O)C[C@H](C)NCCS(=O)(=O)N(C)C ZINC000309669579 524075690 /nfs/dbraw/zinc/07/56/90/524075690.db2.gz VNXAPDKJOGIZEB-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN CNC(=O)[C@H](C)CN(C)[C@@H](C)C(=O)NCC(=O)OC ZINC000267074669 524094516 /nfs/dbraw/zinc/09/45/16/524094516.db2.gz LLETXPQFYMTTSQ-BDAKNGLRSA-N 0 3 273.333 -1.022 20 0 CAADHN C[C@H](CC[NH+](C)C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000265577797 524156316 /nfs/dbraw/zinc/15/63/16/524156316.db2.gz HTNRRHGJVVDCFU-MRVPVSSYSA-N 0 3 256.306 -1.005 20 0 CAADHN C[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)N(C)C ZINC000265058288 524381254 /nfs/dbraw/zinc/38/12/54/524381254.db2.gz SPOUZGWYAWPPPH-SSDOTTSWSA-N 0 3 270.289 -1.527 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)[C@H](C)CN1 ZINC000237421098 524779895 /nfs/dbraw/zinc/77/98/95/524779895.db2.gz YLUWTTQQLYIVFZ-HTQZYQBOSA-N 0 3 254.290 -1.253 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)[C@@H](C)CN1 ZINC000237421066 524780458 /nfs/dbraw/zinc/78/04/58/524780458.db2.gz YLUWTTQQLYIVFZ-SFYZADRCSA-N 0 3 254.290 -1.253 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000429061206 534808281 /nfs/dbraw/zinc/80/82/81/534808281.db2.gz GAMYVRYCODUZDS-QMMMGPOBSA-N 0 3 287.345 -1.742 20 0 CAADHN C[C@H](N)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000340183425 524817185 /nfs/dbraw/zinc/81/71/85/524817185.db2.gz BJKPJBKSNJZTFF-JTQLQIEISA-N 0 3 298.343 -2.137 20 0 CAADHN C[C@H]1NCCN(C(=O)CN2CC(=O)NC2=O)[C@@H]1C ZINC000262825076 525010958 /nfs/dbraw/zinc/01/09/58/525010958.db2.gz TXUIPGMYFNFYMS-HTQZYQBOSA-N 0 3 254.290 -1.253 20 0 CAADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cn1ccc(=O)n(C)c1=O ZINC000237615404 525105140 /nfs/dbraw/zinc/10/51/40/525105140.db2.gz AMYPTLGLAOMCOX-VHSXEESVSA-N 0 3 280.328 -1.244 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](C)CN[C@H](C)C(N)=O)CCC1 ZINC001274995743 782163581 /nfs/dbraw/zinc/16/35/81/782163581.db2.gz DHTXWQMKLLLHGW-RKDXNWHRSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1C[C@@H]1N)C(=O)N1CCS(=O)(=O)CC1 ZINC000331807102 525276399 /nfs/dbraw/zinc/27/63/99/525276399.db2.gz GBTSKJXYCKTUSE-HLTSFMKQSA-N 0 3 289.357 -1.905 20 0 CAADHN C[C@@H]1NCCN(C(=O)CN2CC(=O)NC2=O)[C@H]1C ZINC000262825086 525552561 /nfs/dbraw/zinc/55/25/61/525552561.db2.gz TXUIPGMYFNFYMS-YUMQZZPRSA-N 0 3 254.290 -1.253 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000366530840 525587377 /nfs/dbraw/zinc/58/73/77/525587377.db2.gz RCYRQDXINHELJQ-CSMHCCOUSA-N 0 3 267.326 -1.260 20 0 CAADHN CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@@H](O)C(N)=O ZINC000497190366 526470227 /nfs/dbraw/zinc/47/02/27/526470227.db2.gz NODSKDJEYJMQNV-PELKAZGASA-N 0 3 291.348 -1.302 20 0 CAADHN CC(C)(C)OC(=O)NC[C@@](C)(O)CNC[C@H](O)C(N)=O ZINC000497190370 526471194 /nfs/dbraw/zinc/47/11/94/526471194.db2.gz NODSKDJEYJMQNV-UFBFGSQYSA-N 0 3 291.348 -1.302 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@](C)(O)CN(C)C)C1 ZINC000191936053 526516404 /nfs/dbraw/zinc/51/64/04/526516404.db2.gz DPHZVJFTLBICSX-GFCCVEGCSA-N 0 3 257.334 -1.107 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000351901388 526516454 /nfs/dbraw/zinc/51/64/54/526516454.db2.gz ZNUONCLHMSAZFO-GFCCVEGCSA-N 0 3 255.318 -1.353 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000191936045 526516509 /nfs/dbraw/zinc/51/65/09/526516509.db2.gz DPHZVJFTLBICSX-LBPRGKRZSA-N 0 3 257.334 -1.107 20 0 CAADHN CC(=O)N1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000126164015 526609140 /nfs/dbraw/zinc/60/91/40/526609140.db2.gz SEWPQHWRNRYYFH-LBPRGKRZSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(=O)NC1CN(C(=O)C(=O)N[C@H](CN)C2CCCC2)C1 ZINC000420076140 526704681 /nfs/dbraw/zinc/70/46/81/526704681.db2.gz VGUZUJPUHQZNBW-GFCCVEGCSA-N 0 3 296.371 -1.033 20 0 CAADHN CC(=O)NC1CN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)C1 ZINC000420076141 526704762 /nfs/dbraw/zinc/70/47/62/526704762.db2.gz VGUZUJPUHQZNBW-LBPRGKRZSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)Cn1cnnn1 ZINC001275070900 782164274 /nfs/dbraw/zinc/16/42/74/782164274.db2.gz POIRUCLFTSTBQE-YUMQZZPRSA-N 0 3 295.303 -2.427 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1CN(C)C ZINC000331080223 526718531 /nfs/dbraw/zinc/71/85/31/526718531.db2.gz XLGSXGCFSQRRJQ-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1CN(C)C ZINC000331080222 526718717 /nfs/dbraw/zinc/71/87/17/526718717.db2.gz XLGSXGCFSQRRJQ-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)NCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000344341240 526760093 /nfs/dbraw/zinc/76/00/93/526760093.db2.gz LDWBUURTSSZMQO-NSHDSACASA-N 0 3 284.360 -1.351 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCN1CCCCC1)C(N)=O ZINC000353821134 526835776 /nfs/dbraw/zinc/83/57/76/526835776.db2.gz NCSPBLJJKDYFNS-NSHDSACASA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](C)CN[C@@H](C)C(N)=O)CCC1 ZINC001274995742 782164447 /nfs/dbraw/zinc/16/44/47/782164447.db2.gz DHTXWQMKLLLHGW-BDAKNGLRSA-N 0 3 284.360 -1.129 20 0 CAADHN C=CC(=O)NCCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000490737181 526923512 /nfs/dbraw/zinc/92/35/12/526923512.db2.gz YDQNFJRGHKSGLL-JTQLQIEISA-N 0 3 284.360 -1.139 20 0 CAADHN CC(C)(N)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000424033200 527237926 /nfs/dbraw/zinc/23/79/26/527237926.db2.gz XIKHNBYLEDAFRV-UHFFFAOYSA-N 0 3 290.389 -1.831 20 0 CAADHN NC(C(=O)N1CCN(S(N)(=O)=O)CC1)C(F)(F)F ZINC000353174893 527380704 /nfs/dbraw/zinc/38/07/04/527380704.db2.gz WOLDNMJZWBASBI-RXMQYKEDSA-N 0 3 290.267 -1.776 20 0 CAADHN CC(C)C(=O)NCCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126236745 527500230 /nfs/dbraw/zinc/50/02/30/527500230.db2.gz OJLARLLHICEDHJ-NSHDSACASA-N 0 3 286.376 -1.026 20 0 CAADHN CC(C)(C(N)=O)N1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424147777 527543706 /nfs/dbraw/zinc/54/37/06/527543706.db2.gz SEXAHTOWONIQME-BDAKNGLRSA-N 0 3 254.334 -1.258 20 0 CAADHN CC1(C)C[C@@H]1CNC(=O)C(=O)N(CCN)CCO ZINC000419030522 527707660 /nfs/dbraw/zinc/70/76/60/527707660.db2.gz HULDATMGXKVYDW-SECBINFHSA-N 0 3 257.334 -1.072 20 0 CAADHN Cc1cc(C(=O)N[C@@H](C)CNCC(N)=O)ncn1 ZINC001275121617 782165186 /nfs/dbraw/zinc/16/51/86/782165186.db2.gz NGZQYZJRZJPBMR-QMMMGPOBSA-N 0 3 251.290 -1.022 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000356081147 527728410 /nfs/dbraw/zinc/72/84/10/527728410.db2.gz SLUMNMGAXMYCNX-DGCLKSJQSA-N 0 3 271.361 -1.110 20 0 CAADHN CC(C)NS(=O)(=O)CCNC(=O)C[C@@H]1CNCCO1 ZINC000429886230 527736467 /nfs/dbraw/zinc/73/64/67/527736467.db2.gz BXRAKAPWSNMOPT-SNVBAGLBSA-N 0 3 293.389 -1.191 20 0 CAADHN CC(C)NS(=O)(=O)CCNC(=O)C[C@H]1CNCCO1 ZINC000429886229 527736761 /nfs/dbraw/zinc/73/67/61/527736761.db2.gz BXRAKAPWSNMOPT-JTQLQIEISA-N 0 3 293.389 -1.191 20 0 CAADHN CCNC(=O)CCC(=O)N[C@@H](C)CNCC(N)=O ZINC001275092179 782165075 /nfs/dbraw/zinc/16/50/75/782165075.db2.gz FGBWXBLYZPBQST-QMMMGPOBSA-N 0 3 258.322 -1.518 20 0 CAADHN CCN(C)CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000117982685 527798349 /nfs/dbraw/zinc/79/83/49/527798349.db2.gz HXIMRKALNBVJRW-MRVPVSSYSA-N 0 3 251.352 -1.008 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cnnn1C ZINC001275136169 782165439 /nfs/dbraw/zinc/16/54/39/782165439.db2.gz SDMBFLPNYMMTSD-BQBZGAKWSA-N 0 3 254.294 -1.603 20 0 CAADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN)[C@H]1OC ZINC000419699302 527906842 /nfs/dbraw/zinc/90/68/42/527906842.db2.gz BJALWMRXIWKMOT-IVZWLZJFSA-N 0 3 273.333 -1.288 20 0 CAADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)CN)CC1 ZINC000262446498 527985926 /nfs/dbraw/zinc/98/59/26/527985926.db2.gz CTYPVCBGBWSHPY-UHFFFAOYSA-N 0 3 293.389 -1.156 20 0 CAADHN CC(C)CN1CCO[C@@H](CNC(=O)CNC(=O)CN)C1 ZINC000262277205 528013420 /nfs/dbraw/zinc/01/34/20/528013420.db2.gz XSLACJKFVKZHRG-NSHDSACASA-N 0 3 286.376 -1.466 20 0 CAADHN CC(C)CN1CCO[C@H](CNC(=O)[C@@H](N)CC(N)=O)C1 ZINC000353083043 528017817 /nfs/dbraw/zinc/01/78/17/528017817.db2.gz CYYCIEXIHMCUSV-MNOVXSKESA-N 0 3 286.376 -1.338 20 0 CAADHN CCN(CC)CC(=O)NCCOCCS(N)(=O)=O ZINC000353257183 528088569 /nfs/dbraw/zinc/08/85/69/528088569.db2.gz SFAPZJJJLDFQHN-UHFFFAOYSA-N 0 3 281.378 -1.251 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)CNCCOC)CC1 ZINC000092495793 528089803 /nfs/dbraw/zinc/08/98/03/528089803.db2.gz DHKRSVZIULECDZ-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000091300762 528089871 /nfs/dbraw/zinc/08/98/71/528089871.db2.gz UCHDCQUZBIJPRL-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000091300763 528089961 /nfs/dbraw/zinc/08/99/61/528089961.db2.gz UCHDCQUZBIJPRL-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CCn1nncc1C(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001275142456 782165740 /nfs/dbraw/zinc/16/57/40/782165740.db2.gz VNFKPEOEGMWIET-JGVFFNPUSA-N 0 3 268.321 -1.120 20 0 CAADHN CC1=CCN(CCNC(=O)C(=O)N(CCN)CCO)CC1 ZINC000419226126 528113889 /nfs/dbraw/zinc/11/38/89/528113889.db2.gz QFSOEKAYGXZFSD-UHFFFAOYSA-N 0 3 298.387 -1.466 20 0 CAADHN COc1cc(C(=O)N[C@@H](C)CNCC(N)=O)on1 ZINC001275127594 782165848 /nfs/dbraw/zinc/16/58/48/782165848.db2.gz CGARLNYEWSRXSF-LURJTMIESA-N 0 3 256.262 -1.124 20 0 CAADHN CCC[C@H](N)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000430675899 528163785 /nfs/dbraw/zinc/16/37/85/528163785.db2.gz NPMGLMWBVRZCRN-JTQLQIEISA-N 0 3 277.390 -1.040 20 0 CAADHN CCC[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC ZINC000236843363 528164711 /nfs/dbraw/zinc/16/47/11/528164711.db2.gz NTGRNHDWTFUWHL-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126125339 528217202 /nfs/dbraw/zinc/21/72/02/528217202.db2.gz BVVYKDKNJQCYIT-WPRPVWTQSA-N 0 3 272.349 -1.273 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cn(C)cn1 ZINC001275120793 782166135 /nfs/dbraw/zinc/16/61/35/782166135.db2.gz HTJGCJCSGSZWKK-DTWKUNHWSA-N 0 3 293.327 -1.067 20 0 CAADHN C[C@@H](CNCCS(C)(=O)=O)NC(=O)c1cnnn1C ZINC001275136321 782166264 /nfs/dbraw/zinc/16/62/64/782166264.db2.gz VYCRCHZUQGPWPL-QMMMGPOBSA-N 0 3 289.361 -1.432 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)CC(N)=O)n[nH]1 ZINC001275104834 782166367 /nfs/dbraw/zinc/16/63/67/782166367.db2.gz CFACIKIVQMAOOC-LURJTMIESA-N 0 3 254.294 -1.417 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1ncn(C)n1 ZINC001275141954 782166426 /nfs/dbraw/zinc/16/64/26/782166426.db2.gz KCGPXSQNBWHKCJ-QMMMGPOBSA-N 0 3 268.321 -1.389 20 0 CAADHN CCN(CCCNC(=O)COC1CNC1)S(C)(=O)=O ZINC000429968487 528453313 /nfs/dbraw/zinc/45/33/13/528453313.db2.gz GYHNJFBHTMAHQV-UHFFFAOYSA-N 0 3 293.389 -1.237 20 0 CAADHN CC(C)[C@@H](N)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000431065285 528497014 /nfs/dbraw/zinc/49/70/14/528497014.db2.gz NAVBNXYXRYNWDB-GFCCVEGCSA-N 0 3 286.376 -1.466 20 0 CAADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000419950663 528502430 /nfs/dbraw/zinc/50/24/30/528502430.db2.gz IRLHCBYQNOEHLI-SECBINFHSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)C(C)(C)C(N)=O)C(N)=O ZINC001275189395 782166876 /nfs/dbraw/zinc/16/68/76/782166876.db2.gz HUUWUQIXJJKAQA-YUMQZZPRSA-N 0 3 272.349 -1.144 20 0 CAADHN CCN(CCO)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC000444345409 528530983 /nfs/dbraw/zinc/53/09/83/528530983.db2.gz UXXMEWNNKHDNPM-UHFFFAOYSA-N 0 3 286.376 -1.809 20 0 CAADHN CCN(CCO)CCNC(=O)C1CN(C(C)=O)C1 ZINC000187942970 528532284 /nfs/dbraw/zinc/53/22/84/528532284.db2.gz VWSPCDZRCNQYDX-UHFFFAOYSA-N 0 3 257.334 -1.105 20 0 CAADHN CCN(CCO)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC000347807023 528532331 /nfs/dbraw/zinc/53/23/31/528532331.db2.gz NBEVMNIUJGOLLN-UHFFFAOYSA-N 0 3 286.332 -1.689 20 0 CAADHN CCN(CCO)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000183971084 528534295 /nfs/dbraw/zinc/53/42/95/528534295.db2.gz KMFCKBVWFOHRES-UHFFFAOYSA-N 0 3 298.343 -2.023 20 0 CAADHN CCN(CCO)CCNC(=O)Cn1cn[nH]c1=O ZINC000189164713 528534767 /nfs/dbraw/zinc/53/47/67/528534767.db2.gz LGUXKTWHXHEWFK-UHFFFAOYSA-N 0 3 257.294 -1.998 20 0 CAADHN CCN(CCO)CCNC(=O)Cn1cccnc1=O ZINC000347807521 528535155 /nfs/dbraw/zinc/53/51/55/528535155.db2.gz OBUFGJXGOHFSSJ-UHFFFAOYSA-N 0 3 268.317 -1.326 20 0 CAADHN CCN(CCO)CCNC(=O)NCCc1ncn(C)n1 ZINC000347452035 528535922 /nfs/dbraw/zinc/53/59/22/528535922.db2.gz UEIBNAQMWNRXLU-UHFFFAOYSA-N 0 3 284.364 -1.029 20 0 CAADHN CCN(CCO)CCNC(=O)NCCNS(C)(=O)=O ZINC000347055215 528537041 /nfs/dbraw/zinc/53/70/41/528537041.db2.gz ORPRVNHKGPNXMH-UHFFFAOYSA-N 0 3 296.393 -1.851 20 0 CAADHN CCN(CCO)CCNC(=O)C(C)S(C)(=O)=O ZINC000347789555 528541493 /nfs/dbraw/zinc/54/14/93/528541493.db2.gz BAWNZPZOZMNRNY-SECBINFHSA-N 0 3 266.363 -1.150 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC000347791786 528542983 /nfs/dbraw/zinc/54/29/83/528542983.db2.gz IMYJAOGCYPUCAS-JTQLQIEISA-N 0 3 257.334 -1.105 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000356136146 528543766 /nfs/dbraw/zinc/54/37/66/528543766.db2.gz YAUCRXCQYPVNRT-UWVGGRQHSA-N 0 3 273.333 -1.550 20 0 CAADHN CC(C)[C@@H](NC(=O)COC1CNC1)C(=O)N1CCOCC1 ZINC000430017537 528544382 /nfs/dbraw/zinc/54/43/82/528544382.db2.gz AKHHACCVGOYPGN-CYBMUJFWSA-N 0 3 299.371 -1.026 20 0 CAADHN CCN(CCOCCO)Cc1cc(=O)n(C)c(=O)n1C ZINC000336832584 528571745 /nfs/dbraw/zinc/57/17/45/528571745.db2.gz VWNOUXVDCDBJEN-UHFFFAOYSA-N 0 3 285.344 -1.085 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCCNC1=O ZINC001275189399 782167053 /nfs/dbraw/zinc/16/70/53/782167053.db2.gz IBCOHFFDYTVNGD-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCO1 ZINC000420185835 528717995 /nfs/dbraw/zinc/71/79/95/528717995.db2.gz AEQBLVSBNFAEJL-NEPJUHHUSA-N 0 3 299.371 -1.026 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CCCNC1=O ZINC001275189400 782167446 /nfs/dbraw/zinc/16/74/46/782167446.db2.gz IBCOHFFDYTVNGD-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCOCCOC1CN(C(=O)C(=O)N(C)CCN)C1 ZINC000423567321 528781663 /nfs/dbraw/zinc/78/16/63/528781663.db2.gz KPWZPQGGOVNRCB-UHFFFAOYSA-N 0 3 273.333 -1.333 20 0 CAADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000420115871 528796791 /nfs/dbraw/zinc/79/67/91/528796791.db2.gz FSLJIVZIILBZPG-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCOC(=O)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126163794 528812530 /nfs/dbraw/zinc/81/25/30/528812530.db2.gz JBZJRFDSSRFATF-JTQLQIEISA-N 0 3 259.306 -1.235 20 0 CAADHN CCOCCS(=O)(=O)NCC(=O)N1CCCNCC1 ZINC000262476647 528852612 /nfs/dbraw/zinc/85/26/12/528852612.db2.gz OQQOODMMBDCLCK-UHFFFAOYSA-N 0 3 293.389 -1.236 20 0 CAADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000420115868 528927264 /nfs/dbraw/zinc/92/72/64/528927264.db2.gz FSLJIVZIILBZPG-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000420115879 528927354 /nfs/dbraw/zinc/92/73/54/528927354.db2.gz FSQPEEWJTZVEGW-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CCN(C(=O)CN(C)C1CNC1)[C@H]1CCS(=O)(=O)C1 ZINC000090290174 528949616 /nfs/dbraw/zinc/94/96/16/528949616.db2.gz VUMQBMCXKHSPST-JTQLQIEISA-N 0 3 289.401 -1.074 20 0 CAADHN CCC[C@@H](N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC ZINC000236936577 528963572 /nfs/dbraw/zinc/96/35/72/528963572.db2.gz NTGRNHDWTFUWHL-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCOC(=O)N1CC[C@H](NC(=O)C(=O)NC2CNC2)C1 ZINC000496868958 529009981 /nfs/dbraw/zinc/00/99/81/529009981.db2.gz CAKIXVUYPFMDEK-QMMMGPOBSA-N 0 3 284.316 -1.579 20 0 CAADHN CCOC(=O)NCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000496134758 529031062 /nfs/dbraw/zinc/03/10/62/529031062.db2.gz ASUMQYNHQRKLKH-IUCAKERBSA-N 0 3 284.316 -1.497 20 0 CAADHN CCOC(=O)NCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000496134754 529031259 /nfs/dbraw/zinc/03/12/59/529031259.db2.gz ASUMQYNHQRKLKH-BDAKNGLRSA-N 0 3 284.316 -1.497 20 0 CAADHN CCOC(=O)NCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000496134759 529031744 /nfs/dbraw/zinc/03/17/44/529031744.db2.gz ASUMQYNHQRKLKH-RKDXNWHRSA-N 0 3 284.316 -1.497 20 0 CAADHN CCOC(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000495619654 529033399 /nfs/dbraw/zinc/03/33/99/529033399.db2.gz FANDNMQSTUCMFY-IUCAKERBSA-N 0 3 259.306 -1.134 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCNC(=O)C1(C)C ZINC000126337432 529036708 /nfs/dbraw/zinc/03/67/08/529036708.db2.gz WHATVDLJDIXZAJ-JTQLQIEISA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC(C)(C)C(N)=O ZINC000219008781 529037568 /nfs/dbraw/zinc/03/75/68/529037568.db2.gz YBSHTRIREFVYFB-VIFPVBQESA-N 0 3 272.349 -1.286 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC(=O)NC1CC1 ZINC000126110284 529038024 /nfs/dbraw/zinc/03/80/24/529038024.db2.gz AMGHOFGBZUBEDM-NSHDSACASA-N 0 3 270.333 -1.519 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC(=O)N1CCCC1 ZINC000135636395 529038316 /nfs/dbraw/zinc/03/83/16/529038316.db2.gz LNBVHYVCMAMBIX-LBPRGKRZSA-N 0 3 284.360 -1.176 20 0 CAADHN CCOC(=O)NCCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000496180932 529053696 /nfs/dbraw/zinc/05/36/96/529053696.db2.gz XYUVHAQKWFXUCP-ZJUUUORDSA-N 0 3 298.343 -1.107 20 0 CAADHN CCOC(=O)NCCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000496180930 529054837 /nfs/dbraw/zinc/05/48/37/529054837.db2.gz XYUVHAQKWFXUCP-UWVGGRQHSA-N 0 3 298.343 -1.107 20 0 CAADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NCC(N)=O)CC1=O ZINC000246007460 529074582 /nfs/dbraw/zinc/07/45/82/529074582.db2.gz GSYUNIOJTWCZNL-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC000344389919 529078306 /nfs/dbraw/zinc/07/83/06/529078306.db2.gz QCTFTXFYCPPPQZ-MNOVXSKESA-N 0 3 284.360 -1.033 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC000119999187 529079203 /nfs/dbraw/zinc/07/92/03/529079203.db2.gz QKGOMWBTVDHSQY-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN CCN1CCC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC000060416744 529087981 /nfs/dbraw/zinc/08/79/81/529087981.db2.gz TVBWCOKMSIVDPO-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)C(=O)N[C@@H](CN)C2CC2)CC1=O ZINC000419501953 529093063 /nfs/dbraw/zinc/09/30/63/529093063.db2.gz AHCYLHRSJZEUHM-QWRGUYRKSA-N 0 3 296.371 -1.035 20 0 CAADHN CC(C)N1C[C@H](NC(=O)C(=O)N2CCCNCC2)CC1=O ZINC000331457205 529099653 /nfs/dbraw/zinc/09/96/53/529099653.db2.gz APQJRJZOYDHRTA-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(C)N1C[C@H](NC(=O)C(=O)N(C)[C@H](C)CN)CC1=O ZINC000419507168 529100471 /nfs/dbraw/zinc/10/04/71/529100471.db2.gz OCBWQOOWJHTYRQ-NXEZZACHSA-N 0 3 284.360 -1.083 20 0 CAADHN CCN1CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC1 ZINC000423729969 529112765 /nfs/dbraw/zinc/11/27/65/529112765.db2.gz XRXVICRUVODGQW-SNVBAGLBSA-N 0 3 256.350 -1.044 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CC[C@H]2O)n1 ZINC000425291205 529113436 /nfs/dbraw/zinc/11/34/36/529113436.db2.gz ZDTSNXFBNFBSPX-RKDXNWHRSA-N 0 3 282.348 -1.703 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CC(C)(CO)C2)n1 ZINC000450794078 529114003 /nfs/dbraw/zinc/11/40/03/529114003.db2.gz MDXAPDIRJBRUFT-UHFFFAOYSA-N 0 3 296.375 -1.242 20 0 CAADHN CCN1CCN(C(=O)C(=O)NCCNCCOC)CC1 ZINC000420191120 529120883 /nfs/dbraw/zinc/12/08/83/529120883.db2.gz WVGBYGNINJPHHG-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN CCN1CCN(C(=O)C(=O)N[C@H](C)CN)CC1=O ZINC000420006458 529121717 /nfs/dbraw/zinc/12/17/17/529121717.db2.gz QZIGMXYQHAARAD-MRVPVSSYSA-N 0 3 256.306 -1.860 20 0 CAADHN CCN1CCN(CC(=O)N2C[C@@H](C)NC[C@@H]2C)C(=O)C1=O ZINC000236870881 529137604 /nfs/dbraw/zinc/13/76/04/529137604.db2.gz GKDKZLNPAUTENS-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN CCN1CCN(CCNC(=O)[C@H]2CNCCO2)CC1 ZINC000444263017 529145861 /nfs/dbraw/zinc/14/58/61/529145861.db2.gz DIWDTJYFFKQANR-GFCCVEGCSA-N 0 3 270.377 -1.272 20 0 CAADHN CC[C@@H](O)CNc1nc(NCCO)nc(NC(C)C)n1 ZINC000420630756 529230466 /nfs/dbraw/zinc/23/04/66/529230466.db2.gz TYJOMNYKNQIQDO-SECBINFHSA-N 0 3 284.364 -1.455 20 0 CAADHN CC[C@H]1CN(C(=O)CNC(=O)CN)CCN1C[C@H](C)O ZINC000262377409 529269482 /nfs/dbraw/zinc/26/94/82/529269482.db2.gz JVBSBXKLJORRDK-QWRGUYRKSA-N 0 3 286.376 -1.635 20 0 CAADHN CS(=O)(=O)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000062098362 545497078 /nfs/dbraw/zinc/49/70/78/545497078.db2.gz QVKHWAMEMOIXCG-JTQLQIEISA-N 0 3 263.363 -1.448 20 0 CAADHN CS(=O)(=O)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000062098364 545497085 /nfs/dbraw/zinc/49/70/85/545497085.db2.gz QVKHWAMEMOIXCG-SNVBAGLBSA-N 0 3 263.363 -1.448 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000668261928 545497485 /nfs/dbraw/zinc/49/74/85/545497485.db2.gz BLUUOXOQYZPDQJ-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN CCN1C[C@@H](C)[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000674822314 545497531 /nfs/dbraw/zinc/49/75/31/545497531.db2.gz FLSIWTQPLZTTQQ-RKDXNWHRSA-N 0 3 296.327 -1.137 20 0 CAADHN O=C(NC[C@@H]1CN2CCN1CCC2)[C@H]1CNCCO1 ZINC000394388947 545498460 /nfs/dbraw/zinc/49/84/60/545498460.db2.gz NRHBYZPUXJONOH-VXGBXAGGSA-N 0 3 268.361 -1.519 20 0 CAADHN COCCNCC(=O)NC[C@H]1CN2CCN1CCC2 ZINC000394371543 545498068 /nfs/dbraw/zinc/49/80/68/545498068.db2.gz DXGLOZJPNDWCPD-LBPRGKRZSA-N 0 3 270.377 -1.272 20 0 CAADHN O=C(C[C@H]1CNCCO1)NC[C@@H]1CN2CCN1CCC2 ZINC000394384409 545498561 /nfs/dbraw/zinc/49/85/61/545498561.db2.gz JFEZCQBGOIUGMG-OLZOCXBDSA-N 0 3 282.388 -1.129 20 0 CAADHN O=C(C[C@@H]1CNCCO1)NC[C@@H]1CN2CCN1CCC2 ZINC000394384408 545498577 /nfs/dbraw/zinc/49/85/77/545498577.db2.gz JFEZCQBGOIUGMG-CHWSQXEVSA-N 0 3 282.388 -1.129 20 0 CAADHN O=C(C[C@@H]1COCCN1)NC[C@H]1CN2CCN1CCC2 ZINC000394391812 545498672 /nfs/dbraw/zinc/49/86/72/545498672.db2.gz MBUNFQDMCVQUFD-OLZOCXBDSA-N 0 3 282.388 -1.129 20 0 CAADHN O=C(C[C@@H]1COCCN1)NC[C@@H]1CN2CCN1CCC2 ZINC000394391811 545498743 /nfs/dbraw/zinc/49/87/43/545498743.db2.gz MBUNFQDMCVQUFD-CHWSQXEVSA-N 0 3 282.388 -1.129 20 0 CAADHN O=C(NC[C@H]1CN2CCN1CCC2)[C@H]1CNCCO1 ZINC000394388940 545498801 /nfs/dbraw/zinc/49/88/01/545498801.db2.gz NRHBYZPUXJONOH-NWDGAFQWSA-N 0 3 268.361 -1.519 20 0 CAADHN CN1CCN(C(=O)CCS(C)(=O)=O)[C@H](CN)C1 ZINC000122592032 545499073 /nfs/dbraw/zinc/49/90/73/545499073.db2.gz XEDSBWUJPYJPAR-SECBINFHSA-N 0 3 263.363 -1.478 20 0 CAADHN CN1CCN(C(=O)CCS(C)(=O)=O)[C@@H](CN)C1 ZINC000122592250 545499505 /nfs/dbraw/zinc/49/95/05/545499505.db2.gz XEDSBWUJPYJPAR-VIFPVBQESA-N 0 3 263.363 -1.478 20 0 CAADHN CN(Cc1cn(CC(N)=O)nn1)CC1CN(C)C1 ZINC000668538599 545500741 /nfs/dbraw/zinc/50/07/41/545500741.db2.gz DZDNJTKXDBMTBG-UHFFFAOYSA-N 0 3 252.322 -1.243 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000648165850 545501014 /nfs/dbraw/zinc/50/10/14/545501014.db2.gz LVJMFZSZEDHKPW-SECBINFHSA-N 0 3 271.317 -1.662 20 0 CAADHN COCCN(CCOC)S(=O)(=O)NC1CNC1 ZINC000647218694 545501246 /nfs/dbraw/zinc/50/12/46/545501246.db2.gz ACRPUHVISFLJTC-UHFFFAOYSA-N 0 3 267.351 -1.613 20 0 CAADHN CN(Cc1cn(C)c(=O)n(C)c1=O)C[C@H]1COCCO1 ZINC000668542713 545501519 /nfs/dbraw/zinc/50/15/19/545501519.db2.gz PHPHHFUVVMNOGR-NSHDSACASA-N 0 3 283.328 -1.069 20 0 CAADHN CC(=O)NCC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000152279684 545502642 /nfs/dbraw/zinc/50/26/42/545502642.db2.gz KMNJHNRROQCWGP-GFCCVEGCSA-N 0 3 296.371 -1.113 20 0 CAADHN Cc1nn(CC(=O)NC[C@](C)(O)CCN(C)C)c(=O)n1C ZINC000655392917 545504102 /nfs/dbraw/zinc/50/41/02/545504102.db2.gz DCMXSAIMEAEDDT-CYBMUJFWSA-N 0 3 299.375 -1.291 20 0 CAADHN Cc1nn(CC(=O)N2CCCNCC2)c(=O)n1C ZINC000655411652 545504213 /nfs/dbraw/zinc/50/42/13/545504213.db2.gz FVEZRNFNWMFOBE-UHFFFAOYSA-N 0 3 253.306 -1.288 20 0 CAADHN CN(C)C(=O)[C@@H]1CCCN1C(=O)CN1CCNCC1 ZINC000037631254 545504646 /nfs/dbraw/zinc/50/46/46/545504646.db2.gz YAEWWCWHBJXZDW-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN O=C(CN1CCNCC1)N[C@@H]1CCCCNC1=O ZINC000037631567 545504866 /nfs/dbraw/zinc/50/48/66/545504866.db2.gz YYRQPLKQUMRJQF-SNVBAGLBSA-N 0 3 254.334 -1.324 20 0 CAADHN CCN(CC(=O)N(C)C)C(=O)CN1CCNCC1 ZINC000037631282 545504914 /nfs/dbraw/zinc/50/49/14/545504914.db2.gz NNWRSZMRKUVWLQ-UHFFFAOYSA-N 0 3 256.350 -1.172 20 0 CAADHN CN(CCNC(=O)C(=O)N[C@H]1CCNC1=O)C1CC1 ZINC000668656713 545505552 /nfs/dbraw/zinc/50/55/52/545505552.db2.gz AYBOWMUPQUCAAY-VIFPVBQESA-N 0 3 268.317 -1.799 20 0 CAADHN COCCN(C)CCCNC(=O)NC(C)(CO)CO ZINC000650675930 545505997 /nfs/dbraw/zinc/50/59/97/545505997.db2.gz UYWMYTULPGZBIJ-UHFFFAOYSA-N 0 3 277.365 -1.003 20 0 CAADHN C[C@@H]1CCN(CCNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000524774676 545506682 /nfs/dbraw/zinc/50/66/82/545506682.db2.gz VNUUUNKDMVMQHX-SECBINFHSA-N 0 3 280.332 -1.165 20 0 CAADHN CN(CC(=O)N1CCOCC1)C[C@H]1CNCCO1 ZINC000126745947 545506943 /nfs/dbraw/zinc/50/69/43/545506943.db2.gz CLCTUGNSYXWXLA-LLVKDONJSA-N 0 3 257.334 -1.235 20 0 CAADHN CN(CC(=O)N1CCOCC1)C[C@@H]1CNCCO1 ZINC000126745715 545507329 /nfs/dbraw/zinc/50/73/29/545507329.db2.gz CLCTUGNSYXWXLA-NSHDSACASA-N 0 3 257.334 -1.235 20 0 CAADHN CCN(C)CCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O ZINC000359420066 545508058 /nfs/dbraw/zinc/50/80/58/545508058.db2.gz DKVQYWNHLLEYBX-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CC(=O)N1)CN1CCN(C)CC1 ZINC000668684689 545508084 /nfs/dbraw/zinc/50/80/84/545508084.db2.gz QSFGGSMMKOPSEL-GHMZBOCLSA-N 0 3 268.361 -1.125 20 0 CAADHN CC[C@@H](C)N(C)CCNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668777106 545510586 /nfs/dbraw/zinc/51/05/86/545510586.db2.gz RIKFZDOMPTWBAD-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN O=C(NC1CCN(C2CC2)CC1)C(=O)N1CCNC(=O)C1 ZINC000670782825 545511267 /nfs/dbraw/zinc/51/12/67/545511267.db2.gz WPBRBKWAIUAVAO-UHFFFAOYSA-N 0 3 294.355 -1.312 20 0 CAADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCNC1=O)N(C)C1CC1 ZINC000668794661 545511774 /nfs/dbraw/zinc/51/17/74/545511774.db2.gz NPLCOQCTHMBVDQ-SCZZXKLOSA-N 0 3 282.344 -1.410 20 0 CAADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668794512 545511934 /nfs/dbraw/zinc/51/19/34/545511934.db2.gz JXLNLQRFFMWODT-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCNC1=O)N(C)C1CC1 ZINC000668794663 545512159 /nfs/dbraw/zinc/51/21/59/545512159.db2.gz NPLCOQCTHMBVDQ-WPRPVWTQSA-N 0 3 282.344 -1.410 20 0 CAADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCNC1=O ZINC000668824029 545512207 /nfs/dbraw/zinc/51/22/07/545512207.db2.gz DQVMYSBWSAYALC-QWRGUYRKSA-N 0 3 294.355 -1.408 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CCNC2=O)C[C@@H]1O ZINC000665330025 545514706 /nfs/dbraw/zinc/51/47/06/545514706.db2.gz UFNXLANSUXJRBU-VGMNWLOBSA-N 0 3 256.306 -1.809 20 0 CAADHN CNC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000647673372 545514879 /nfs/dbraw/zinc/51/48/79/545514879.db2.gz JVSBZIKQHHQRKH-MRVPVSSYSA-N 0 3 256.306 -1.689 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCS(=O)(=O)N1)C1CC1 ZINC000651176374 545514976 /nfs/dbraw/zinc/51/49/76/545514976.db2.gz IFZKKWJLBWKANO-VIFPVBQESA-N 0 3 261.347 -1.112 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651235415 545515817 /nfs/dbraw/zinc/51/58/17/545515817.db2.gz VOLYGPVITNVPNS-VIFPVBQESA-N 0 3 279.362 -1.628 20 0 CAADHN COCCN(CCN(C)C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651264413 545517208 /nfs/dbraw/zinc/51/72/08/545517208.db2.gz XXPHXUXVGYJTSG-JTQLQIEISA-N 0 3 293.389 -1.285 20 0 CAADHN CN1C[C@@H](C(=O)NCCCN2CCC(O)CC2)NC1=O ZINC000668895952 545517438 /nfs/dbraw/zinc/51/74/38/545517438.db2.gz SQUXTXRGKHXMKI-NSHDSACASA-N 0 3 284.360 -1.027 20 0 CAADHN CCN1CCC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000651265577 545517604 /nfs/dbraw/zinc/51/76/04/545517604.db2.gz FVQXERUPHXKKKK-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN O=C(CNC(=O)C1CC1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000518767693 545513312 /nfs/dbraw/zinc/51/33/12/545513312.db2.gz VLVLTRGAQWFQGE-UHFFFAOYSA-N 0 3 293.331 -1.321 20 0 CAADHN Cc1nn(CC(=O)NC[C@@H]2CNCCO2)c(=O)n1C ZINC000655478187 545513373 /nfs/dbraw/zinc/51/33/73/545513373.db2.gz PGSNBZZFVSAXKU-VIFPVBQESA-N 0 3 269.305 -2.005 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)c1ccc(-n2cnnn2)cn1 ZINC000655477652 545513539 /nfs/dbraw/zinc/51/35/39/545513539.db2.gz AKZPBHLAJSXPEM-JTQLQIEISA-N 0 3 289.299 -1.225 20 0 CAADHN O=C(NC[C@H]1CNCCO1)c1ccc(-n2cnnn2)cn1 ZINC000655477655 545513543 /nfs/dbraw/zinc/51/35/43/545513543.db2.gz AKZPBHLAJSXPEM-SNVBAGLBSA-N 0 3 289.299 -1.225 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000580260296 545513816 /nfs/dbraw/zinc/51/38/16/545513816.db2.gz NXJUDRYMSYKRQJ-UTLUCORTSA-N 0 3 272.349 -1.043 20 0 CAADHN CN(C)C1(CNC(=O)C(=O)N[C@H]2CCNC2=O)CCC1 ZINC000669028061 545519139 /nfs/dbraw/zinc/51/91/39/545519139.db2.gz VKZVLIPWQDALRJ-VIFPVBQESA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CCN1C ZINC000669183091 545521499 /nfs/dbraw/zinc/52/14/99/545521499.db2.gz NZWSTVPZXKHKAF-ZJUUUORDSA-N 0 3 292.405 -1.019 20 0 CAADHN COCCCN(C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000669185330 545521912 /nfs/dbraw/zinc/52/19/12/545521912.db2.gz GFIYJVHIOHWGEQ-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)NCCNS(C)(=O)=O ZINC000337377959 545522931 /nfs/dbraw/zinc/52/29/31/545522931.db2.gz BOJDZRGJAWSHPA-JTQLQIEISA-N 0 3 296.393 -1.853 20 0 CAADHN CN1CCC[C@H](NC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627476003 545525718 /nfs/dbraw/zinc/52/57/18/545525718.db2.gz YEDAKIGTAUBQFA-WDEREUQCSA-N 0 3 284.360 -1.699 20 0 CAADHN CN1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627476000 545526072 /nfs/dbraw/zinc/52/60/72/545526072.db2.gz YEDAKIGTAUBQFA-GHMZBOCLSA-N 0 3 284.360 -1.699 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627475870 545526136 /nfs/dbraw/zinc/52/61/36/545526136.db2.gz WEWOCFCIFRHICD-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CN1CCC[C@H](NC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627476002 545526539 /nfs/dbraw/zinc/52/65/39/545526539.db2.gz YEDAKIGTAUBQFA-QWRGUYRKSA-N 0 3 284.360 -1.699 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000652699902 545526643 /nfs/dbraw/zinc/52/66/43/545526643.db2.gz HENJXZVEIWRXHF-KOLCDFICSA-N 0 3 295.343 -1.217 20 0 CAADHN CCN1C[C@H](CNC(=O)C(=O)N[C@H](CN)C2CC2)CC1=O ZINC000652700266 545526723 /nfs/dbraw/zinc/52/67/23/545526723.db2.gz OEZPQIYFPSGODC-GXSJLCMTSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H]1CS(=O)(=O)CCN1C(=O)CN1CCNCC1 ZINC000228740675 545529706 /nfs/dbraw/zinc/52/97/06/545529706.db2.gz KXRCRIOEXNEOIG-SNVBAGLBSA-N 0 3 275.374 -1.463 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652733971 545530792 /nfs/dbraw/zinc/53/07/92/545530792.db2.gz VXIAJZUSLBKELF-SNVBAGLBSA-N 0 3 284.360 -1.270 20 0 CAADHN COC[C@](C)(O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652734307 545531126 /nfs/dbraw/zinc/53/11/26/545531126.db2.gz FCBJETLPMNOIJS-ZDUSSCGKSA-N 0 3 287.360 -1.384 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)C2)C[C@@H]1O ZINC000647995659 545534729 /nfs/dbraw/zinc/53/47/29/545534729.db2.gz RNTJKEJKWOQCSJ-VWYCJHECSA-N 0 3 284.360 -1.077 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1COCCN1CC(F)F ZINC000673523774 545534765 /nfs/dbraw/zinc/53/47/65/545534765.db2.gz ZSGVIXJSHFVVRN-VHSXEESVSA-N 0 3 295.330 -1.009 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCCNS(C)(=O)=O)C[C@@H]1O ZINC000647995684 545534778 /nfs/dbraw/zinc/53/47/78/545534778.db2.gz UWJFXLOAZNNSBV-IUCAKERBSA-N 0 3 294.377 -2.148 20 0 CAADHN CN1C[C@@H](NC(=O)CN2CCNCC2)CCC1=O ZINC000084091753 545534788 /nfs/dbraw/zinc/53/47/88/545534788.db2.gz NEUMXZCHCRPXPQ-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCCNCC1 ZINC000659565972 545532051 /nfs/dbraw/zinc/53/20/51/545532051.db2.gz WNCXVEJZQHUQHJ-NXEZZACHSA-N 0 3 291.373 -1.197 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000673519785 545532204 /nfs/dbraw/zinc/53/22/04/545532204.db2.gz GHYWKGJNDWKXFK-QMMMGPOBSA-N 0 3 254.290 -1.234 20 0 CAADHN CNC(=O)N[C@@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000647988830 545533510 /nfs/dbraw/zinc/53/35/10/545533510.db2.gz UWLYWQYYOZREBM-LLVKDONJSA-N 0 3 283.376 -1.188 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2C[C@@H](C(N)=O)C2)CC1=O ZINC000652795057 545533645 /nfs/dbraw/zinc/53/36/45/545533645.db2.gz AQWLHFNKFQFERZ-GARJFASQSA-N 0 3 296.371 -1.223 20 0 CAADHN CN1C[C@H](NC(=O)CN2CCNCC2)CCC1=O ZINC000084091752 545534133 /nfs/dbraw/zinc/53/41/33/545534133.db2.gz NEUMXZCHCRPXPQ-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC(=O)N1 ZINC000332621780 545535846 /nfs/dbraw/zinc/53/58/46/545535846.db2.gz NXVVAVFQXMAZLS-MNOVXSKESA-N 0 3 294.355 -1.360 20 0 CAADHN C[C@@H](CNCCF)NC(=O)CN1CCNC(=O)C1 ZINC001275267930 782168871 /nfs/dbraw/zinc/16/88/71/782168871.db2.gz YCHCQVLQLDBVFL-VIFPVBQESA-N 0 3 260.313 -1.518 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652890720 545539898 /nfs/dbraw/zinc/53/98/98/545539898.db2.gz LFOVPQCVSMCCAA-ZIAGYGMSSA-N 0 3 294.399 -1.346 20 0 CAADHN CN(CCCN(C)[C@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352792189 545538145 /nfs/dbraw/zinc/53/81/45/545538145.db2.gz LFDXMQCTWJRKMZ-RNJOBUHISA-N 0 3 274.361 -1.241 20 0 CAADHN COCCN(C)CCNC(=O)N(C)[C@@H]1COC[C@@H]1O ZINC000352776417 545538362 /nfs/dbraw/zinc/53/83/62/545538362.db2.gz CICQZNBJNODUNR-MNOVXSKESA-N 0 3 275.349 -1.034 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652890719 545539424 /nfs/dbraw/zinc/53/94/24/545539424.db2.gz LFOVPQCVSMCCAA-KGLIPLIRSA-N 0 3 294.399 -1.346 20 0 CAADHN C[C@@H]1NC(=O)N(CCN2C[C@H](O)C[C@]2(C)CO)C1=O ZINC000639847523 545540651 /nfs/dbraw/zinc/54/06/51/545540651.db2.gz BRXPCXOTDVAILM-YGOYTEALSA-N 0 3 271.317 -1.256 20 0 CAADHN NC(=O)[C@@H]1CN(CCOCC(F)F)C[C@H]1C(N)=O ZINC000639843426 545540675 /nfs/dbraw/zinc/54/06/75/545540675.db2.gz FRCTUIXULYLATJ-RNFRBKRXSA-N 0 3 265.260 -1.213 20 0 CAADHN NC(=O)[C@H]1CN(CCO[C@@H]2CC2(F)F)C[C@H]1C(N)=O ZINC000639846329 545540700 /nfs/dbraw/zinc/54/07/00/545540700.db2.gz OUIRLFFAJIONFE-GJMOJQLCSA-N 0 3 277.271 -1.071 20 0 CAADHN C[C@@H]1NC(=O)N(CCN2C[C@@H](O)C[C@]2(C)CO)C1=O ZINC000639847516 545540856 /nfs/dbraw/zinc/54/08/56/545540856.db2.gz BRXPCXOTDVAILM-HOTUBEGUSA-N 0 3 271.317 -1.256 20 0 CAADHN N[C@H](C(=O)NCCN1C(=O)CNC1=O)C1CCC1 ZINC000645987293 545554676 /nfs/dbraw/zinc/55/46/76/545554676.db2.gz RECZOVCFAAWVEQ-VIFPVBQESA-N 0 3 254.290 -1.218 20 0 CAADHN CN(C)C(=O)CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358719397 545541896 /nfs/dbraw/zinc/54/18/96/545541896.db2.gz LIKDIISHRYVDPR-LBPRGKRZSA-N 0 3 272.349 -1.170 20 0 CAADHN CN(C)C(=O)CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358654881 545542354 /nfs/dbraw/zinc/54/23/54/545542354.db2.gz AARBRXABZNEJOV-LLVKDONJSA-N 0 3 258.322 -1.560 20 0 CAADHN COCCOC[C@@H](O)CNCC(C)(C)NS(C)(=O)=O ZINC000234714803 545542950 /nfs/dbraw/zinc/54/29/50/545542950.db2.gz UBRSDISPLTYDDZ-JTQLQIEISA-N 0 3 298.405 -1.072 20 0 CAADHN COCCOC[C@H](O)CNCC(C)(C)NS(C)(=O)=O ZINC000234888929 545543184 /nfs/dbraw/zinc/54/31/84/545543184.db2.gz UBRSDISPLTYDDZ-SNVBAGLBSA-N 0 3 298.405 -1.072 20 0 CAADHN CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C(=O)NCCN)C1 ZINC000659709184 545544289 /nfs/dbraw/zinc/54/42/89/545544289.db2.gz GLYNFSXHHFOVRE-VIFPVBQESA-N 0 3 285.348 -1.724 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 ZINC000645623086 545544527 /nfs/dbraw/zinc/54/45/27/545544527.db2.gz MCNNJDPBZONOBX-NXEZZACHSA-N 0 3 282.344 -1.647 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000645623088 545544689 /nfs/dbraw/zinc/54/46/89/545544689.db2.gz MCNNJDPBZONOBX-VHSXEESVSA-N 0 3 282.344 -1.647 20 0 CAADHN CN(CCN1CCCCC1)C(=O)[C@H](CO)NC(N)=O ZINC000652990951 545544718 /nfs/dbraw/zinc/54/47/18/545544718.db2.gz JVQICLIYPZTWGW-JTQLQIEISA-N 0 3 272.349 -1.040 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000653019335 545545253 /nfs/dbraw/zinc/54/52/53/545545253.db2.gz ZOLZABKZPHADHM-JTQLQIEISA-N 0 3 290.389 -1.359 20 0 CAADHN O=C(NCCNc1ccncc1)[C@@H]1CCS(=O)(=O)N1 ZINC000653017036 545545809 /nfs/dbraw/zinc/54/58/09/545545809.db2.gz HCIPCTPTCRCUHD-JTQLQIEISA-N 0 3 284.341 -1.277 20 0 CAADHN CCN(CCO)CCNC(=O)c1nc(N)nc(N(C)C)n1 ZINC000653024104 545546471 /nfs/dbraw/zinc/54/64/71/545546471.db2.gz SFMPNCYEOQKQAW-UHFFFAOYSA-N 0 3 297.363 -1.606 20 0 CAADHN COCCN(C)CCCNC(=O)C(=O)N(C)C[C@H](C)O ZINC000671134641 545547374 /nfs/dbraw/zinc/54/73/74/545547374.db2.gz FUXNMBVTRVZLMK-NSHDSACASA-N 0 3 289.376 -1.090 20 0 CAADHN C[C@]1(C(N)=O)CCN(C(=O)CN2CCNCC2)C1 ZINC000235726623 545547400 /nfs/dbraw/zinc/54/74/00/545547400.db2.gz DADBOHMWPMGKGW-LBPRGKRZSA-N 0 3 254.334 -1.385 20 0 CAADHN CNC(=O)C(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000671149123 545547595 /nfs/dbraw/zinc/54/75/95/545547595.db2.gz ISXOESILXALCAF-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CC(C)(CNC(=O)C[C@H]1CNCCO1)NS(C)(=O)=O ZINC000091312420 545548026 /nfs/dbraw/zinc/54/80/26/545548026.db2.gz XUIPMGHDHQUYCT-VIFPVBQESA-N 0 3 293.389 -1.191 20 0 CAADHN CN(C)CCn1cc(NC(=O)CN2CCNCC2=O)cn1 ZINC000236991874 545548139 /nfs/dbraw/zinc/54/81/39/545548139.db2.gz SCDSZFAIYQTDJA-UHFFFAOYSA-N 0 3 294.359 -1.185 20 0 CAADHN COCCNCC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000092495865 545548198 /nfs/dbraw/zinc/54/81/98/545548198.db2.gz LHTSVVUYCIAJTO-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CN1CCN(C)[C@H](CNC(=O)COC2(C)CNC2)C1 ZINC000098061785 545550074 /nfs/dbraw/zinc/55/00/74/545550074.db2.gz QCVLMSFKYVGFBX-LLVKDONJSA-N 0 3 270.377 -1.273 20 0 CAADHN CNC(=O)Cn1cc(NC(=O)COC2(C)CNC2)cn1 ZINC000098061037 545550258 /nfs/dbraw/zinc/55/02/58/545550258.db2.gz AMEWUTCJNFSKLK-UHFFFAOYSA-N 0 3 281.316 -1.054 20 0 CAADHN CC1(OCC(=O)N2CCN3C(=O)NC[C@@H]3C2)CNC1 ZINC000098061508 545550422 /nfs/dbraw/zinc/55/04/22/545550422.db2.gz OOVVNWRNXCMDEG-SECBINFHSA-N 0 3 268.317 -1.399 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000098061563 545550652 /nfs/dbraw/zinc/55/06/52/545550652.db2.gz UCTBVZXQMDCNKX-UHFFFAOYSA-N 0 3 298.387 -1.403 20 0 CAADHN CC1(OCC(=O)N2CCN3C(=O)NC[C@H]3C2)CNC1 ZINC000098061509 545550665 /nfs/dbraw/zinc/55/06/65/545550665.db2.gz OOVVNWRNXCMDEG-VIFPVBQESA-N 0 3 268.317 -1.399 20 0 CAADHN CC1(OCC(=O)NCCN2CCOCC2)CNC1 ZINC000098061529 545550720 /nfs/dbraw/zinc/55/07/20/545550720.db2.gz HIFCBODSWAULAJ-UHFFFAOYSA-N 0 3 257.334 -1.187 20 0 CAADHN CN(C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC000243135613 545550861 /nfs/dbraw/zinc/55/08/61/545550861.db2.gz JKTFEXSQCPMDBO-UHFFFAOYSA-N 0 3 252.340 -1.940 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1NCC1(C)C ZINC000645925288 545552904 /nfs/dbraw/zinc/55/29/04/545552904.db2.gz IFESPMAAOQTTDE-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1NCC1(C)C ZINC000645925291 545553125 /nfs/dbraw/zinc/55/31/25/545553125.db2.gz IFESPMAAOQTTDE-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN O=C(CN1CCS(=O)(=O)CC1)NC[C@@H]1C[C@H](F)CN1 ZINC000649363331 545562465 /nfs/dbraw/zinc/56/24/65/545562465.db2.gz YHOFVQINVQPRBQ-UWVGGRQHSA-N 0 3 293.364 -1.467 20 0 CAADHN Cn1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CN)n1 ZINC000649422676 545562875 /nfs/dbraw/zinc/56/28/75/545562875.db2.gz AHQOWLQOLJHGLL-SECBINFHSA-N 0 3 273.362 -1.317 20 0 CAADHN CN(C1CC1)S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000649422993 545563196 /nfs/dbraw/zinc/56/31/96/545563196.db2.gz QGLPLFHYHRZTDL-JTQLQIEISA-N 0 3 262.379 -1.100 20 0 CAADHN C[C@H](c1nnnn1C)N1CCN(CCN(C)C)C(=O)C1 ZINC000649685722 545563712 /nfs/dbraw/zinc/56/37/12/545563712.db2.gz KGMAZLJOLKVAPE-SNVBAGLBSA-N 0 3 281.364 -1.023 20 0 CAADHN CN(C)CCN1CCN(Cc2nc(N)nc(N)n2)CC1=O ZINC000649689042 545563938 /nfs/dbraw/zinc/56/39/38/545563938.db2.gz XQCPOHXXBZSXNM-UHFFFAOYSA-N 0 3 294.363 -2.097 20 0 CAADHN CN(C)CCN1CCN(CCN2C(=O)CCC2=O)CC1=O ZINC000649685972 545564083 /nfs/dbraw/zinc/56/40/83/545564083.db2.gz UFKGRNHMOSASEO-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN CN(C)CCN1CCN(CC(=O)N(C)C)CC1=O ZINC000649684757 545564456 /nfs/dbraw/zinc/56/44/56/545564456.db2.gz ARPCDFBKZGHRDZ-UHFFFAOYSA-N 0 3 256.350 -1.220 20 0 CAADHN CN(C)CCN1CCN(CCCS(N)(=O)=O)CC1=O ZINC000649687091 545564542 /nfs/dbraw/zinc/56/45/42/545564542.db2.gz IOQWJPBGYWCUOP-UHFFFAOYSA-N 0 3 292.405 -1.629 20 0 CAADHN CN(C)CCN1CCN(CCOCCO)CC1=O ZINC000649685966 545564575 /nfs/dbraw/zinc/56/45/75/545564575.db2.gz TWXXMHZKZQPSTR-UHFFFAOYSA-N 0 3 259.350 -1.299 20 0 CAADHN CN1CCC[C@@H]1CN1CCN(CC(N)=O)C(=O)C1 ZINC000649627865 545564607 /nfs/dbraw/zinc/56/46/07/545564607.db2.gz YJLHIXHBPQBYQA-SNVBAGLBSA-N 0 3 254.334 -1.290 20 0 CAADHN CN(C)CCN1CCN(CCN2CCNC2=O)CC1=O ZINC000649684916 545564659 /nfs/dbraw/zinc/56/46/59/545564659.db2.gz HLINZJQWBWTQIK-UHFFFAOYSA-N 0 3 283.376 -1.283 20 0 CAADHN CN(C)CCN1CCN(CCN2C(=O)CNC2=O)CC1=O ZINC000649687681 545564728 /nfs/dbraw/zinc/56/47/28/545564728.db2.gz AFCNJQQQESQCTF-UHFFFAOYSA-N 0 3 297.359 -1.756 20 0 CAADHN COC[C@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000649684804 545564748 /nfs/dbraw/zinc/56/47/48/545564748.db2.gz CNRBUQZPABTWSL-LLVKDONJSA-N 0 3 259.350 -1.301 20 0 CAADHN CN(C)CCN1CCN(C[C@H](O)Cn2cccn2)CC1=O ZINC000649688091 545564954 /nfs/dbraw/zinc/56/49/54/545564954.db2.gz QTNZQRGZTWSWMG-ZDUSSCGKSA-N 0 3 295.387 -1.050 20 0 CAADHN CO[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000564827285 545565500 /nfs/dbraw/zinc/56/55/00/545565500.db2.gz VDYYCSIQWOQNMG-MNOVXSKESA-N 0 3 284.360 -1.665 20 0 CAADHN CN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000564827317 545566073 /nfs/dbraw/zinc/56/60/73/545566073.db2.gz ZXMMOQJTQCJWPR-RYUDHWBXSA-N 0 3 298.387 -1.275 20 0 CAADHN CN(C)CCN1CCN(C[C@@H](O)Cn2cccn2)CC1=O ZINC000649688090 545566159 /nfs/dbraw/zinc/56/61/59/545566159.db2.gz QTNZQRGZTWSWMG-CYBMUJFWSA-N 0 3 295.387 -1.050 20 0 CAADHN COC[C@H]1C[C@@H](O)CN1C[C@H](O)CN1CCOCC1 ZINC000649760824 545566243 /nfs/dbraw/zinc/56/62/43/545566243.db2.gz FINSHUHGBKQMSX-JHJVBQTASA-N 0 3 274.361 -1.239 20 0 CAADHN C[C@H](O)CN(CCN1C(=O)CN(C)C1=O)[C@@H](C)CO ZINC000660382545 545568027 /nfs/dbraw/zinc/56/80/27/545568027.db2.gz RUUDEQXVRDJDSM-UWVGGRQHSA-N 0 3 273.333 -1.056 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN2C[C@H](O)C[C@H]2CO)C[C@H](C)O1 ZINC000352023300 545568256 /nfs/dbraw/zinc/56/82/56/545568256.db2.gz WHHHZIMNAHADMY-VJTDZRGJSA-N 0 3 288.388 -1.116 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN2C[C@H](O)C[C@H]2CO)C[C@@H](C)O1 ZINC000352023299 545568272 /nfs/dbraw/zinc/56/82/72/545568272.db2.gz WHHHZIMNAHADMY-RGDJUOJXSA-N 0 3 288.388 -1.116 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)CN2C[C@@H](O)C[C@H]2CO)C[C@@H](C)O1 ZINC000473151987 545568454 /nfs/dbraw/zinc/56/84/54/545568454.db2.gz WHHHZIMNAHADMY-PEBLQZBPSA-N 0 3 288.388 -1.116 20 0 CAADHN Cc1nn(CC(=O)NCCOCCN(C)C)c(=O)n1C ZINC000654984876 545569618 /nfs/dbraw/zinc/56/96/18/545569618.db2.gz BMAKPPSSSISCDH-UHFFFAOYSA-N 0 3 285.348 -1.415 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@@H]2CN3CCN2CCC3)C1 ZINC000670408679 545570851 /nfs/dbraw/zinc/57/08/51/545570851.db2.gz UOBFDTFXIJBKHA-OLZOCXBDSA-N 0 3 282.388 -1.177 20 0 CAADHN CC(C(=O)NC[C@@H]1CN2CCN1CCC2)S(C)(=O)=O ZINC000670409589 545571159 /nfs/dbraw/zinc/57/11/59/545571159.db2.gz PXNBPQUAXLBDAI-WDEREUQCSA-N 0 3 289.401 -1.074 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@H]2CN3CCN2CCC3)C1 ZINC000670408681 545571248 /nfs/dbraw/zinc/57/12/48/545571248.db2.gz UOBFDTFXIJBKHA-STQMWFEESA-N 0 3 282.388 -1.177 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@H]2CN3CCN2CCC3)C1 ZINC000670408680 545571370 /nfs/dbraw/zinc/57/13/70/545571370.db2.gz UOBFDTFXIJBKHA-QWHCGFSZSA-N 0 3 282.388 -1.177 20 0 CAADHN C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000671418583 545572267 /nfs/dbraw/zinc/57/22/67/545572267.db2.gz ASDKKVGYNTWOSN-JTQLQIEISA-N 0 3 296.371 -1.066 20 0 CAADHN O=C(N[C@@H]1CCN(C2CC2)C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000667182796 545556478 /nfs/dbraw/zinc/55/64/78/545556478.db2.gz IVWLRDIEIRGFTG-OJAKKHQRSA-N 0 3 282.340 -1.248 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000682087279 545557131 /nfs/dbraw/zinc/55/71/31/545557131.db2.gz NYOCNDALSHOSFH-NSHDSACASA-N 0 3 296.371 -1.209 20 0 CAADHN O=C(C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1CCNCC1 ZINC000405321639 545558791 /nfs/dbraw/zinc/55/87/91/545558791.db2.gz VCOGFCASCQCGSM-WDEREUQCSA-N 0 3 282.344 -2.304 20 0 CAADHN COCCOCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405347503 545559443 /nfs/dbraw/zinc/55/94/43/545559443.db2.gz LTZJPUIOWJCXBL-WDEREUQCSA-N 0 3 258.318 -1.073 20 0 CAADHN CN(C)C(=O)NCCNC(=O)COC1(C)CNC1 ZINC000161239062 545559482 /nfs/dbraw/zinc/55/94/82/545559482.db2.gz WPUYPHDCZWTSFP-UHFFFAOYSA-N 0 3 258.322 -1.248 20 0 CAADHN CC1(OCC(=O)N2CCN(CCO)CC2)CNC1 ZINC000161098668 545559562 /nfs/dbraw/zinc/55/95/62/545559562.db2.gz NFYBHBTYJPTPSF-UHFFFAOYSA-N 0 3 257.334 -1.499 20 0 CAADHN CN1CCN(C(=O)CCC(=O)N2CCOCC2)[C@@H](CN)C1 ZINC000162652225 545559949 /nfs/dbraw/zinc/55/99/49/545559949.db2.gz CUEGGUVAZKVDPY-LBPRGKRZSA-N 0 3 298.387 -1.273 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCOC1 ZINC000672284059 545560928 /nfs/dbraw/zinc/56/09/28/545560928.db2.gz XXSKXUGEVORWNN-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CCN1CC[C@@H](NC(=O)NC[C@]2(O)CCN(C)C2)C1=O ZINC000670190281 545560953 /nfs/dbraw/zinc/56/09/53/545560953.db2.gz LYBNJEVVXGUQSI-ZWNOBZJWSA-N 0 3 284.360 -1.027 20 0 CAADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@H]1CCCNC1 ZINC000262761076 545561203 /nfs/dbraw/zinc/56/12/03/545561203.db2.gz RNBRODQQMQXXNF-VIFPVBQESA-N 0 3 299.418 -1.403 20 0 CAADHN CCN1CC[C@H](NC(=O)NC[C@@]2(O)CCN(C)C2)C1=O ZINC000670190278 545561234 /nfs/dbraw/zinc/56/12/34/545561234.db2.gz LYBNJEVVXGUQSI-GWCFXTLKSA-N 0 3 284.360 -1.027 20 0 CAADHN CCN1CC[C@H](NC(=O)NC[C@]2(O)CCN(C)C2)C1=O ZINC000670190279 545561360 /nfs/dbraw/zinc/56/13/60/545561360.db2.gz LYBNJEVVXGUQSI-GXFFZTMASA-N 0 3 284.360 -1.027 20 0 CAADHN O=C(NCCCCN1CCOCC1)C1(O)CNC1 ZINC000662684415 545576602 /nfs/dbraw/zinc/57/66/02/545576602.db2.gz YKPDWYLGDFTLFW-UHFFFAOYSA-N 0 3 257.334 -1.451 20 0 CAADHN O=C(N1CCN([C@@H]2CCC[C@H]2O)CC1)C1(O)CNC1 ZINC000662717999 545577634 /nfs/dbraw/zinc/57/76/34/545577634.db2.gz VCKXTXNCVDOINV-GHMZBOCLSA-N 0 3 269.345 -1.622 20 0 CAADHN CC[C@@H](N)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000662697285 545578104 /nfs/dbraw/zinc/57/81/04/545578104.db2.gz DLVJUYLGMQGSCV-DOLQZWNJSA-N 0 3 276.358 -1.006 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)COCCN)C[C@H]21 ZINC000662698833 545578128 /nfs/dbraw/zinc/57/81/28/545578128.db2.gz UQPZZSJQFVWRAK-AEJSXWLSSA-N 0 3 292.357 -1.768 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)C1(O)CNC1 ZINC000662710243 545578229 /nfs/dbraw/zinc/57/82/29/545578229.db2.gz GEVFMNZTVHPZGJ-SNVBAGLBSA-N 0 3 257.334 -1.452 20 0 CAADHN CCS(=O)(=O)NCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662749773 545579296 /nfs/dbraw/zinc/57/92/96/545579296.db2.gz QHGNHQOFKVABHT-HTQZYQBOSA-N 0 3 267.326 -1.177 20 0 CAADHN N[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)CC[C@H]1F ZINC000662747835 545579336 /nfs/dbraw/zinc/57/93/36/545579336.db2.gz BWYXXANGYWZNRA-PRJMDXOYSA-N 0 3 265.310 -1.424 20 0 CAADHN O=C(N1CCN(C2CCOCC2)CC1)C1(O)CNC1 ZINC000662742328 545579419 /nfs/dbraw/zinc/57/94/19/545579419.db2.gz PGISVEZCUBOITC-UHFFFAOYSA-N 0 3 269.345 -1.356 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c1=O ZINC000662748103 545580186 /nfs/dbraw/zinc/58/01/86/545580186.db2.gz LPGYZIIQIJKJPI-HTQZYQBOSA-N 0 3 270.264 -1.003 20 0 CAADHN O=C(N1CC[C@H](CN2CCOCC2)C1)C1(O)CNC1 ZINC000662746827 545580306 /nfs/dbraw/zinc/58/03/06/545580306.db2.gz SLRRHKXKJRJMDC-LLVKDONJSA-N 0 3 269.345 -1.499 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662749453 545580388 /nfs/dbraw/zinc/58/03/88/545580388.db2.gz MTYDUMMSSLWCKJ-XLPZGREQSA-N 0 3 267.326 -1.178 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H](O)C1 ZINC000662918312 545581036 /nfs/dbraw/zinc/58/10/36/545581036.db2.gz CCOVWNOJULOWJR-QUNCOHTASA-N 0 3 267.329 -1.081 20 0 CAADHN O=C(CCOC1CNC1)NC[C@H]1CN2CCN1CCC2 ZINC000662907879 545581258 /nfs/dbraw/zinc/58/12/58/545581258.db2.gz YDGRKFGINFMROW-LBPRGKRZSA-N 0 3 282.388 -1.129 20 0 CAADHN CNC(=O)CCN(C)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662929765 545582131 /nfs/dbraw/zinc/58/21/31/545582131.db2.gz GJKJHOVKZRYVNM-UHFFFAOYSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CC(=O)N1C ZINC000662936303 545582176 /nfs/dbraw/zinc/58/21/76/545582176.db2.gz FICKUJKEPWVQHG-NAUIOFCNSA-N 0 3 294.355 -1.375 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662931059 545582358 /nfs/dbraw/zinc/58/23/58/545582358.db2.gz ZTKLDLNYDBITRB-BVDKZHGWSA-N 0 3 280.328 -1.717 20 0 CAADHN CNS(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000671674629 545583785 /nfs/dbraw/zinc/58/37/85/545583785.db2.gz PYICNJFENFPOPB-UHFFFAOYSA-N 0 3 252.384 -1.124 20 0 CAADHN CN(C)CCn1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)n1 ZINC000667617487 545590194 /nfs/dbraw/zinc/59/01/94/545590194.db2.gz SQUIJKQPXMPDLZ-QMMMGPOBSA-N 0 3 294.315 -1.019 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000667994999 545590929 /nfs/dbraw/zinc/59/09/29/545590929.db2.gz WAAPLZVYMVEKJC-VIFPVBQESA-N 0 3 258.322 -1.296 20 0 CAADHN CN(CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CC1 ZINC000667158832 545588343 /nfs/dbraw/zinc/58/83/43/545588343.db2.gz KKUOGIKZSFDYTG-QMMMGPOBSA-N 0 3 254.290 -1.205 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)NCCN(C)C1CC1 ZINC000667158777 545588619 /nfs/dbraw/zinc/58/86/19/545588619.db2.gz JLEXWZGIFPAYRV-UHFFFAOYSA-N 0 3 278.378 -1.407 20 0 CAADHN O=C(N[C@@H]1CCN(C2CC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000667182583 545588657 /nfs/dbraw/zinc/58/86/57/545588657.db2.gz FMWJFLGUSINSFT-APPZFPTMSA-N 0 3 266.301 -1.063 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001275267675 782169011 /nfs/dbraw/zinc/16/90/11/782169011.db2.gz SVFXNHANHQRATI-NKWVEPMBSA-N 0 3 269.305 -1.293 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001275265867 782169060 /nfs/dbraw/zinc/16/90/60/782169060.db2.gz GOAYKBZZFISZSR-BQBZGAKWSA-N 0 3 257.294 -2.410 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001275291532 782169518 /nfs/dbraw/zinc/16/95/18/782169518.db2.gz LERGINDIXMVVPA-QMMMGPOBSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCn1cncn1 ZINC001275354433 782169591 /nfs/dbraw/zinc/16/95/91/782169591.db2.gz BVOXEOJAYGZCQU-RKDXNWHRSA-N 0 3 268.321 -1.364 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C2CCC2)C1=O)NC(=O)C(N)=O ZINC001275291175 782170067 /nfs/dbraw/zinc/17/00/67/782170067.db2.gz DVRRWYDJKZEAGA-WCBMZHEXSA-N 0 3 282.344 -1.281 20 0 CAADHN COCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(N)=O ZINC001275339644 782170121 /nfs/dbraw/zinc/17/01/21/782170121.db2.gz IPCQRXDMEKDQMZ-RNFRBKRXSA-N 0 3 260.294 -1.690 20 0 CAADHN COCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC(N)=O ZINC001275339646 782170241 /nfs/dbraw/zinc/17/02/41/782170241.db2.gz IPCQRXDMEKDQMZ-RQJHMYQMSA-N 0 3 260.294 -1.690 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCn1cncn1 ZINC001275354432 782170280 /nfs/dbraw/zinc/17/02/80/782170280.db2.gz BVOXEOJAYGZCQU-IUCAKERBSA-N 0 3 268.321 -1.364 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cnn(C)n1 ZINC001275368766 782170485 /nfs/dbraw/zinc/17/04/85/782170485.db2.gz AJUYFOAUWPPVSD-YUMQZZPRSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001275424585 782170878 /nfs/dbraw/zinc/17/08/78/782170878.db2.gz PKSVGVMOMBOAGX-BQBZGAKWSA-N 0 3 258.322 -1.534 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)Cc1ncc[nH]1 ZINC001275383636 782170992 /nfs/dbraw/zinc/17/09/92/782170992.db2.gz ZFFZPBWIEJRJSW-IUCAKERBSA-N 0 3 265.317 -1.065 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CN1C(=O)CCC1=O)C(N)=O ZINC001275439700 782171056 /nfs/dbraw/zinc/17/10/56/782171056.db2.gz KYKLYGRSMXRXBT-IUCAKERBSA-N 0 3 298.343 -1.506 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)Cc1ncc[nH]1 ZINC001275383635 782171268 /nfs/dbraw/zinc/17/12/68/782171268.db2.gz ZFFZPBWIEJRJSW-DTWKUNHWSA-N 0 3 265.317 -1.065 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CN1C(=O)CCC1=O)C(N)=O ZINC001275439699 782171539 /nfs/dbraw/zinc/17/15/39/782171539.db2.gz KYKLYGRSMXRXBT-DTWKUNHWSA-N 0 3 298.343 -1.506 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cn1cncn1)C(N)=O ZINC001275436606 782171577 /nfs/dbraw/zinc/17/15/77/782171577.db2.gz XJXMBCVZWKKEPE-JGVFFNPUSA-N 0 3 254.294 -1.754 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001275410869 782171676 /nfs/dbraw/zinc/17/16/76/782171676.db2.gz WHEGZRZGZJFRAQ-CIUDSAMLSA-N 0 3 296.327 -1.836 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cnon1 ZINC001275374469 782171860 /nfs/dbraw/zinc/17/18/60/782171860.db2.gz CYDQMQOGFKPCTQ-BQBZGAKWSA-N 0 3 255.278 -1.088 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001275468662 782172605 /nfs/dbraw/zinc/17/26/05/782172605.db2.gz FRXLIEOEOBRACI-WDSKDSINSA-N 0 3 255.282 -2.208 20 0 CAADHN CCCCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001275482960 782172653 /nfs/dbraw/zinc/17/26/53/782172653.db2.gz XLODYOBDTPUPOR-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CCOCCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001275480474 782172945 /nfs/dbraw/zinc/17/29/45/782172945.db2.gz IATDGOFECISHAC-DTWKUNHWSA-N 0 3 288.348 -1.893 20 0 CAADHN C[C@H](NCC(=O)NCC1CC1)[C@H](C)NC(=O)C(N)=O ZINC001275480774 782173104 /nfs/dbraw/zinc/17/31/04/782173104.db2.gz IYKFNDWANINFTR-YUMQZZPRSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001275468661 782173190 /nfs/dbraw/zinc/17/31/90/782173190.db2.gz FRXLIEOEOBRACI-RITPCOANSA-N 0 3 255.282 -2.208 20 0 CAADHN Cc1nonc1C(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001275580184 782175627 /nfs/dbraw/zinc/17/56/27/782175627.db2.gz JPUKBOUDJQTCRN-PHDIDXHHSA-N 0 3 255.278 -1.040 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](C)[C@@H](C)NCC(N)=O)CCC1 ZINC001275540680 782173883 /nfs/dbraw/zinc/17/38/83/782173883.db2.gz NSORHQYPYNUPDY-RKDXNWHRSA-N 0 3 284.360 -1.129 20 0 CAADHN CCn1cc(C(=O)N[C@@H](C)[C@H](C)NCC(N)=O)nn1 ZINC001275527198 782174194 /nfs/dbraw/zinc/17/41/94/782174194.db2.gz JDFYULVIQWYCIW-YUMQZZPRSA-N 0 3 268.321 -1.120 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](C)[C@@H](C)NCC(N)=O)CCC1 ZINC001275540677 782174340 /nfs/dbraw/zinc/17/43/40/782174340.db2.gz NSORHQYPYNUPDY-BDAKNGLRSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](NCCF)[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001275561528 782174542 /nfs/dbraw/zinc/17/45/42/782174542.db2.gz BNVQFADXVMGCJH-SFYZADRCSA-N 0 3 274.296 -1.010 20 0 CAADHN C[C@@H](NC(=O)CN1C(=O)CNC1=O)[C@H](C)NCCF ZINC001275561527 782174612 /nfs/dbraw/zinc/17/46/12/782174612.db2.gz BNVQFADXVMGCJH-JGVFFNPUSA-N 0 3 274.296 -1.010 20 0 CAADHN Cc1nonc1C(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001275580183 782175379 /nfs/dbraw/zinc/17/53/79/782175379.db2.gz JPUKBOUDJQTCRN-NTSWFWBYSA-N 0 3 255.278 -1.040 20 0 CAADHN C[C@H](CN(C)C[C@H]1CCc2ncnn21)NC(=O)C(N)=O ZINC001275639773 782176183 /nfs/dbraw/zinc/17/61/83/782176183.db2.gz YNSPZVPUAZUARZ-RKDXNWHRSA-N 0 3 280.332 -1.313 20 0 CAADHN CNC(=S)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001275760356 782179706 /nfs/dbraw/zinc/17/97/06/782179706.db2.gz INBYUVHQDVHUAG-UHFFFAOYSA-N 0 3 286.401 -1.035 20 0 CAADHN C[C@H](CN(C)CCOCCO)NC(=O)c1cnn(C)n1 ZINC001275682909 782178096 /nfs/dbraw/zinc/17/80/96/782178096.db2.gz YSVBDSMDTUDSCE-SNVBAGLBSA-N 0 3 285.348 -1.126 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)CCOCCO ZINC001275794430 782179276 /nfs/dbraw/zinc/17/92/76/782179276.db2.gz ZZZDPUZRDNLLQO-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H]1[C@H](NC(=O)CN2CCNCC2=O)CCN1C ZINC000719445224 782180335 /nfs/dbraw/zinc/18/03/35/782180335.db2.gz VVBBXNAUMWYDBU-VHSXEESVSA-N 0 3 254.334 -1.373 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001275850736 782180398 /nfs/dbraw/zinc/18/03/98/782180398.db2.gz RDQUMONXUWJVRD-VHSXEESVSA-N 0 3 289.376 -1.058 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001275850735 782181225 /nfs/dbraw/zinc/18/12/25/782181225.db2.gz RDQUMONXUWJVRD-NXEZZACHSA-N 0 3 289.376 -1.058 20 0 CAADHN C[C@@H](CNC(=O)C(=O)NCC(F)F)N(C)CCO ZINC001275865495 782181907 /nfs/dbraw/zinc/18/19/07/782181907.db2.gz KYQIXSUHYYEYBN-ZETCQYMHSA-N 0 3 267.276 -1.204 20 0 CAADHN C[C@@H](CNC(=O)c1nnc[nH]1)N(C)[C@H]1CCC(=O)NC1=O ZINC001275962797 782184164 /nfs/dbraw/zinc/18/41/64/782184164.db2.gz JRVVLSYRROPRCA-YUMQZZPRSA-N 0 3 294.315 -1.340 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)N(C)CCc1ccnn1C ZINC001275912973 782182978 /nfs/dbraw/zinc/18/29/78/782182978.db2.gz PADYJZRSLFYLBN-SECBINFHSA-N 0 3 267.333 -1.116 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[nH]1)N(C)[C@@H](C)C(N)=O ZINC001275969906 782185360 /nfs/dbraw/zinc/18/53/60/782185360.db2.gz HIKNQAKZQCNQEP-YUMQZZPRSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@H](C(N)=O)N(C)[C@@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001275969804 782185677 /nfs/dbraw/zinc/18/56/77/782185677.db2.gz HIKNQAKZQCNQEP-JGVFFNPUSA-N 0 3 268.321 -1.343 20 0 CAADHN O=C(Cn1ncnn1)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001095422154 782186213 /nfs/dbraw/zinc/18/62/13/782186213.db2.gz KNNXFDSWSCOILW-VWYCJHECSA-N 0 3 280.332 -1.223 20 0 CAADHN CCN(CCO)CCNC(=O)NCCN1CCNC1=O ZINC000891073767 582109360 /nfs/dbraw/zinc/10/93/60/582109360.db2.gz VMWJYMIXORYUCO-UHFFFAOYSA-N 0 3 287.364 -1.375 20 0 CAADHN O=C(N[C@H]1CNCCC1(F)F)[C@H]1CCS(=O)(=O)N1 ZINC000846677961 582109551 /nfs/dbraw/zinc/10/95/51/582109551.db2.gz HAKGROQVAALAGO-RQJHMYQMSA-N 0 3 283.300 -1.209 20 0 CAADHN CC(=O)N1CCN(C(=O)CN2CC[C@@H](CC(N)=O)C2)CC1 ZINC000676871044 582109623 /nfs/dbraw/zinc/10/96/23/582109623.db2.gz KXUPNMILLRKKME-LBPRGKRZSA-N 0 3 296.371 -1.126 20 0 CAADHN Cc1nc(C(=O)N2CCN(CCN(C)C)C(=O)C2)n(C)n1 ZINC000650359918 582109722 /nfs/dbraw/zinc/10/97/22/582109722.db2.gz INBWKQKHWNWTRL-UHFFFAOYSA-N 0 3 294.359 -1.030 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)C1CCN(C)CC1 ZINC000407994344 582109735 /nfs/dbraw/zinc/10/97/35/582109735.db2.gz BPXCISROWAORNA-UHFFFAOYSA-N 0 3 278.378 -1.407 20 0 CAADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668501620 582110107 /nfs/dbraw/zinc/11/01/07/582110107.db2.gz PCEHZXIAKJSGOM-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)NCCNS(C)(=O)=O)C1 ZINC000891768042 582110502 /nfs/dbraw/zinc/11/05/02/582110502.db2.gz OPFBZQLTGZVBQV-UWVGGRQHSA-N 0 3 290.389 -1.119 20 0 CAADHN COCCNCCNC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000892051249 582110938 /nfs/dbraw/zinc/11/09/38/582110938.db2.gz PYRTXPCRXUHRAX-AOOOYVTPSA-N 0 3 298.343 -1.521 20 0 CAADHN CC1(C)C(=O)NCCN1C(=O)CN1CCNCC1 ZINC000104132955 582110942 /nfs/dbraw/zinc/11/09/42/582110942.db2.gz SDHRBWDTSDMVFQ-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN COC(=O)[C@@H](F)CNC(=O)NC[C@H]1CNCCO1 ZINC000892190202 582111101 /nfs/dbraw/zinc/11/11/01/582111101.db2.gz WAGKPRYBIAGIDC-SFYZADRCSA-N 0 3 263.269 -1.215 20 0 CAADHN CCN1CC[C@H](NC(=O)NC[C@@H]2CNCCO2)C1=O ZINC000892181107 582111041 /nfs/dbraw/zinc/11/10/41/582111041.db2.gz SBKCYQCHKJVCNB-UWVGGRQHSA-N 0 3 270.333 -1.105 20 0 CAADHN CN1CCC[C@H](NC(=O)N2CC3(C2)NC(=O)NC3=O)C1 ZINC000892237644 582111068 /nfs/dbraw/zinc/11/10/68/582111068.db2.gz MTBZTJFEZIDTOP-QMMMGPOBSA-N 0 3 281.316 -1.316 20 0 CAADHN CN1C[C@@H](NC(=O)C2=NO[C@@H](CN)C2)CCC1=O ZINC000852840161 582112237 /nfs/dbraw/zinc/11/22/37/582112237.db2.gz QVCWMXXFRLVLPF-JGVFFNPUSA-N 0 3 254.290 -1.173 20 0 CAADHN CN1C[C@@H](NC(=O)C2=NO[C@H](CN)C2)CCC1=O ZINC000852840168 582112243 /nfs/dbraw/zinc/11/22/43/582112243.db2.gz QVCWMXXFRLVLPF-YUMQZZPRSA-N 0 3 254.290 -1.173 20 0 CAADHN C[C@H]1CS(=O)(=O)CCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852842917 582112314 /nfs/dbraw/zinc/11/23/14/582112314.db2.gz LMKIYNZFJQLHGT-JGVFFNPUSA-N 0 3 275.330 -1.265 20 0 CAADHN O=C(N[C@@H]1CCN(C2CC2)C1)N1CC2(C1)NC(=O)NC2=O ZINC000893018617 582112434 /nfs/dbraw/zinc/11/24/34/582112434.db2.gz FQCGARNYZSAOQS-MRVPVSSYSA-N 0 3 293.327 -1.174 20 0 CAADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1nnn(C)n1 ZINC000893225504 582112552 /nfs/dbraw/zinc/11/25/52/582112552.db2.gz HRBOEZSEGKIOKM-LBPRGKRZSA-N 0 3 298.347 -1.371 20 0 CAADHN NC(=O)CN1CCN(c2ccncc2CO)CC1=O ZINC000894160889 582113343 /nfs/dbraw/zinc/11/33/43/582113343.db2.gz DOIRVJLNLNMNLE-UHFFFAOYSA-N 0 3 264.285 -1.292 20 0 CAADHN CN(CCO)CCN(C)c1cc(=O)n(C)c(=O)n1C ZINC000894590796 582114276 /nfs/dbraw/zinc/11/42/76/582114276.db2.gz MNEFRCIEOLMWLT-UHFFFAOYSA-N 0 3 270.333 -1.556 20 0 CAADHN CON(C)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000880644148 582114357 /nfs/dbraw/zinc/11/43/57/582114357.db2.gz CLPUGYSELPQOTL-NSHDSACASA-N 0 3 256.350 -1.014 20 0 CAADHN CCN1CCN([C@H](C)CNC(=S)NCC(N)=O)CC1 ZINC000727075819 582115046 /nfs/dbraw/zinc/11/50/46/582115046.db2.gz LXTFBYQARPARJE-SNVBAGLBSA-N 0 3 287.433 -1.038 20 0 CAADHN CN1CC[C@@H](NC(=S)NCCNS(C)(=O)=O)C1 ZINC000727080133 582115061 /nfs/dbraw/zinc/11/50/61/582115061.db2.gz GJWSVXJRRYDMLZ-MRVPVSSYSA-N 0 3 280.419 -1.296 20 0 CAADHN CNC(=O)CNC(=O)C1CN(C2CCOCC2)C1 ZINC000895482077 582115461 /nfs/dbraw/zinc/11/54/61/582115461.db2.gz DHWFMCKPRZMOHG-UHFFFAOYSA-N 0 3 255.318 -1.041 20 0 CAADHN C[C@H]1[C@@H](NC(=O)N2CC3(C2)NC(=O)NC3=O)CCN1C ZINC000896617015 582116197 /nfs/dbraw/zinc/11/61/97/582116197.db2.gz HIQRAWLSVJTCFI-YUMQZZPRSA-N 0 3 281.316 -1.318 20 0 CAADHN O=S1(=O)NC[C@H]2CN(c3ccnc(CO)c3)CCN21 ZINC000896597374 582116206 /nfs/dbraw/zinc/11/62/06/582116206.db2.gz QSPHQRXDJDMOER-NSHDSACASA-N 0 3 284.341 -1.088 20 0 CAADHN O=S1(=O)NC[C@@H]2CN(c3ccncc3CO)CCN21 ZINC000896595080 582116231 /nfs/dbraw/zinc/11/62/31/582116231.db2.gz MXZCENKXZZWRIR-SNVBAGLBSA-N 0 3 284.341 -1.088 20 0 CAADHN Cn1c(=O)cc(N2CCN(C)CCN(C)CC2)n(C)c1=O ZINC000897095668 582116620 /nfs/dbraw/zinc/11/66/20/582116620.db2.gz VGENSNDFMGIRHJ-UHFFFAOYSA-N 0 3 295.387 -1.232 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CN1CCCCC(=O)C1=O ZINC000866921044 582116746 /nfs/dbraw/zinc/11/67/46/582116746.db2.gz JNMHQNYNZSYJEJ-CQSZACIVSA-N 0 3 299.371 -1.003 20 0 CAADHN C[C@H]1CC[N@H+](CCNC(=O)N2CC3(C2)NC(=O)[N-]C3=O)C1 ZINC000897470220 582117728 /nfs/dbraw/zinc/11/77/28/582117728.db2.gz ACACDDAKMPNJRO-VIFPVBQESA-N 0 3 295.343 -1.068 20 0 CAADHN C[C@H]1CC[N@@H+](CCNC(=O)N2CC3(C2)NC(=O)[N-]C3=O)C1 ZINC000897470220 582117729 /nfs/dbraw/zinc/11/77/29/582117729.db2.gz ACACDDAKMPNJRO-VIFPVBQESA-N 0 3 295.343 -1.068 20 0 CAADHN CCOC(=O)C[C@H](O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000863329127 582117732 /nfs/dbraw/zinc/11/77/32/582117732.db2.gz KQWNSGWKBAFLGB-SFYZADRCSA-N 0 3 294.329 -1.292 20 0 CAADHN C[C@@H]1CC[N@H+](CCNC(=O)N2CC3(C2)NC(=O)[N-]C3=O)C1 ZINC000897470219 582117748 /nfs/dbraw/zinc/11/77/48/582117748.db2.gz ACACDDAKMPNJRO-SECBINFHSA-N 0 3 295.343 -1.068 20 0 CAADHN C[C@@H]1CC[N@@H+](CCNC(=O)N2CC3(C2)NC(=O)[N-]C3=O)C1 ZINC000897470219 582117749 /nfs/dbraw/zinc/11/77/49/582117749.db2.gz ACACDDAKMPNJRO-SECBINFHSA-N 0 3 295.343 -1.068 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)CCN(C)C(=O)OC ZINC000863769638 582117865 /nfs/dbraw/zinc/11/78/65/582117865.db2.gz AGMHTQHNHBATLW-UHFFFAOYSA-N 0 3 288.348 -1.050 20 0 CAADHN CC(C)(O)[C@H](O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864059393 582117880 /nfs/dbraw/zinc/11/78/80/582117880.db2.gz HKBGKPDDWGOFBM-IVZWLZJFSA-N 0 3 258.318 -1.604 20 0 CAADHN CNC(=O)CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000729506217 582118133 /nfs/dbraw/zinc/11/81/33/582118133.db2.gz OIZGAFDRVDKTEY-NXEZZACHSA-N 0 3 270.333 -1.105 20 0 CAADHN O=C1COC[C@]2(CN[C@@H]3CCOC3)COCCN12 ZINC000865798116 582118375 /nfs/dbraw/zinc/11/83/75/582118375.db2.gz QITCCEBVPLKGCN-PWSUYJOCSA-N 0 3 256.302 -1.007 20 0 CAADHN O=C1COC[C@]2(CN[C@H]3CCOC3)COCCN12 ZINC000865798115 582118394 /nfs/dbraw/zinc/11/83/94/582118394.db2.gz QITCCEBVPLKGCN-JQWIXIFHSA-N 0 3 256.302 -1.007 20 0 CAADHN C[C@@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1O ZINC000897685026 582118490 /nfs/dbraw/zinc/11/84/90/582118490.db2.gz ZCYUKYLHJZWNPU-SCZZXKLOSA-N 0 3 253.302 -1.103 20 0 CAADHN O=C(N[C@@H]1COC[C@H]1O)C1CN(C2CCOCC2)C1 ZINC000897916398 582118936 /nfs/dbraw/zinc/11/89/36/582118936.db2.gz IXAKKQNEEXCGNH-VXGBXAGGSA-N 0 3 270.329 -1.027 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)C1CN(C2CCOCC2)C1 ZINC000897964827 582119000 /nfs/dbraw/zinc/11/90/00/582119000.db2.gz QVNRWNTWIHXBDM-BXKDBHETSA-N 0 3 272.345 -1.045 20 0 CAADHN O=C(C1CN([C@H]2CCOC2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000898084778 582119197 /nfs/dbraw/zinc/11/91/97/582119197.db2.gz NKYDCCWTSSMDGU-GXTWGEPZSA-N 0 3 295.383 -1.016 20 0 CAADHN Cn1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)nc1=O ZINC000898129152 582119406 /nfs/dbraw/zinc/11/94/06/582119406.db2.gz OWAXNEKEBGMJGG-JTQLQIEISA-N 0 3 277.328 -1.057 20 0 CAADHN NC(=O)NCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000898523743 582119734 /nfs/dbraw/zinc/11/97/34/582119734.db2.gz CVRZSTJUWVGZRH-SECBINFHSA-N 0 3 255.322 -1.839 20 0 CAADHN CN1C(=O)CN=C1NC(=O)C1CCCCS1(=O)=O ZINC000898774889 582120033 /nfs/dbraw/zinc/12/00/33/582120033.db2.gz MLZHHYWKIWYRBA-ZETCQYMHSA-N 0 3 273.314 -1.102 20 0 CAADHN CN1C(=O)CN=C1NC(=O)[C@H]1CN2CCN1CCC2 ZINC000898775400 582120131 /nfs/dbraw/zinc/12/01/31/582120131.db2.gz QLIXCPJCVHMOPR-SECBINFHSA-N 0 3 265.317 -1.680 20 0 CAADHN CN1C(=O)CN=C1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000898775401 582120146 /nfs/dbraw/zinc/12/01/46/582120146.db2.gz QLIXCPJCVHMOPR-VIFPVBQESA-N 0 3 265.317 -1.680 20 0 CAADHN O=C(NCCN1CC[C@@H](O)C1)C1CN([C@H]2CCOC2)C1 ZINC000899145521 582120335 /nfs/dbraw/zinc/12/03/35/582120335.db2.gz LORCZFAHLCUCPI-QWHCGFSZSA-N 0 3 283.372 -1.110 20 0 CAADHN O=C(NCCN1CC[C@H](O)C1)C1CN([C@@H]2CCOC2)C1 ZINC000899154114 582120480 /nfs/dbraw/zinc/12/04/80/582120480.db2.gz LORCZFAHLCUCPI-OLZOCXBDSA-N 0 3 283.372 -1.110 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)[C@@H](C)O ZINC000899263308 582120779 /nfs/dbraw/zinc/12/07/79/582120779.db2.gz DVPWZBSEHCVMEF-MXWKQRLJSA-N 0 3 285.344 -1.585 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)N1CCC1 ZINC000645836199 582120960 /nfs/dbraw/zinc/12/09/60/582120960.db2.gz IWTYVTWTNVFLLG-JTQLQIEISA-N 0 3 290.389 -1.011 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(N)(=O)=O ZINC000645834729 582120977 /nfs/dbraw/zinc/12/09/77/582120977.db2.gz YSZCFKJNIRDFLV-SSDOTTSWSA-N 0 3 250.324 -1.758 20 0 CAADHN CNS(=O)(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000645835208 582121014 /nfs/dbraw/zinc/12/10/14/582121014.db2.gz KZHVBBUAWVVUEV-QMMMGPOBSA-N 0 3 264.351 -1.498 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)N(C)C ZINC000645834531 582121051 /nfs/dbraw/zinc/12/10/51/582121051.db2.gz QYFKXQUXQBTQNS-VIFPVBQESA-N 0 3 278.378 -1.155 20 0 CAADHN CN(CCO)CCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000899731842 582121737 /nfs/dbraw/zinc/12/17/37/582121737.db2.gz MPSICUOHNUFBIA-UHFFFAOYSA-N 0 3 284.316 -2.413 20 0 CAADHN CN(CCO)CCNC(=O)CCCN1C(=O)CCC1=O ZINC000899731815 582121931 /nfs/dbraw/zinc/12/19/31/582121931.db2.gz LOURMYBEBUPUHA-UHFFFAOYSA-N 0 3 285.344 -1.044 20 0 CAADHN CN(CCO)CCNC(=O)CCC(=O)N1CCOCC1 ZINC000899728704 582122043 /nfs/dbraw/zinc/12/20/43/582122043.db2.gz UTNNEUBJYLZASB-UHFFFAOYSA-N 0 3 287.360 -1.334 20 0 CAADHN CN(CCO)CCNC(=O)c1ccn2nnnc2c1 ZINC000899740259 582122214 /nfs/dbraw/zinc/12/22/14/582122214.db2.gz AECGDAYANBHJNM-UHFFFAOYSA-N 0 3 264.289 -1.222 20 0 CAADHN CN(CCO)CCNC(=O)[C@@](C)(O)Cn1ccccc1=O ZINC000899738387 582122238 /nfs/dbraw/zinc/12/22/38/582122238.db2.gz YWTKRMQAJLVXGC-AWEZNQCLSA-N 0 3 297.355 -1.360 20 0 CAADHN COCCN1C[C@@H](C(=O)NCCN(C)CCO)CC1=O ZINC000899729478 582122250 /nfs/dbraw/zinc/12/22/50/582122250.db2.gz HREDLYQDBIKFKG-NSHDSACASA-N 0 3 287.360 -1.478 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCN(C)CCO ZINC000899736608 582122287 /nfs/dbraw/zinc/12/22/87/582122287.db2.gz MQSGLQOQJFNCQU-LLVKDONJSA-N 0 3 259.350 -1.253 20 0 CAADHN CN(CCO)CCNC(=O)Cn1nc2ccccn2c1=O ZINC000899729606 582122311 /nfs/dbraw/zinc/12/23/11/582122311.db2.gz LJGOZDRVWDYDSR-UHFFFAOYSA-N 0 3 293.327 -1.464 20 0 CAADHN CN(CCO)CCNC(=O)CCn1ncn(C)c1=O ZINC000899738889 582122322 /nfs/dbraw/zinc/12/23/22/582122322.db2.gz PVKNITWRJVIXGO-UHFFFAOYSA-N 0 3 271.321 -1.988 20 0 CAADHN CN(CCO)CCNC(=O)Cn1ncn(C)c1=O ZINC000899737018 582122332 /nfs/dbraw/zinc/12/23/32/582122332.db2.gz WHXPSACXBSJIEN-UHFFFAOYSA-N 0 3 257.294 -2.378 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1COCCN1CC(F)F ZINC000899737381 582122422 /nfs/dbraw/zinc/12/24/22/582122422.db2.gz HKBBGKYFJJYUFU-JTQLQIEISA-N 0 3 295.330 -1.007 20 0 CAADHN Cc1nn(CC(=O)NCCN(C)CCO)c(=O)n1C ZINC000899741427 582122450 /nfs/dbraw/zinc/12/24/50/582122450.db2.gz XHNFFABBDRHYTF-UHFFFAOYSA-N 0 3 271.321 -2.069 20 0 CAADHN CN(CCO)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC000899733828 582122467 /nfs/dbraw/zinc/12/24/67/582122467.db2.gz KEZJVRRPXNVHEO-UHFFFAOYSA-N 0 3 281.378 -1.646 20 0 CAADHN CN(CCO)CCNC(=O)c1cccn2nnnc12 ZINC000899741257 582122485 /nfs/dbraw/zinc/12/24/85/582122485.db2.gz OQCAYNFSUFAKEE-UHFFFAOYSA-N 0 3 264.289 -1.222 20 0 CAADHN COCC(=O)N[C@H](C(=O)NCCN(C)CCO)C(C)C ZINC000899734114 582122504 /nfs/dbraw/zinc/12/25/04/582122504.db2.gz VLDJQSBUMHBUCO-LBPRGKRZSA-N 0 3 289.376 -1.186 20 0 CAADHN CN(CCO)CCNC(=O)CN(C)C(=O)C1CC1 ZINC000899734247 582122558 /nfs/dbraw/zinc/12/25/58/582122558.db2.gz XNXDFKWEQDVKTN-UHFFFAOYSA-N 0 3 257.334 -1.105 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000899741898 582122569 /nfs/dbraw/zinc/12/25/69/582122569.db2.gz VRYGNQGSYRUDKI-NJBDSQKTSA-N 0 3 298.339 -1.253 20 0 CAADHN CN(CCO)CCNC(=O)CN1CCCCS1(=O)=O ZINC000899741470 582122657 /nfs/dbraw/zinc/12/26/57/582122657.db2.gz BHKFCCCKMIFKIW-UHFFFAOYSA-N 0 3 293.389 -1.548 20 0 CAADHN CN(CCO)CCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC000899968982 582123061 /nfs/dbraw/zinc/12/30/61/582123061.db2.gz KFWVJGUSPOCULK-GFCCVEGCSA-N 0 3 257.334 -1.057 20 0 CAADHN CN1CCC[C@](O)(CC(=O)N2CCNC(=O)C2)C1 ZINC000899952047 582123076 /nfs/dbraw/zinc/12/30/76/582123076.db2.gz QJUHWYHATQDKOE-LBPRGKRZSA-N 0 3 255.318 -1.208 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H](O)C(C)(C)O)CC1 ZINC000900007985 582123150 /nfs/dbraw/zinc/12/31/50/582123150.db2.gz XLEIFKFHSKVJOJ-LLVKDONJSA-N 0 3 273.377 -1.176 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2OCCN(C)C2=O)CC1 ZINC000900010132 582123161 /nfs/dbraw/zinc/12/31/61/582123161.db2.gz ULFDHSNQKLLJTO-GFCCVEGCSA-N 0 3 298.387 -1.451 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 ZINC000900009946 582123178 /nfs/dbraw/zinc/12/31/78/582123178.db2.gz QQNPPKKTKCYHGL-WDEREUQCSA-N 0 3 268.361 -1.186 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H](O)C(C)(C)O)CC1 ZINC000900007987 582123203 /nfs/dbraw/zinc/12/32/03/582123203.db2.gz XLEIFKFHSKVJOJ-NSHDSACASA-N 0 3 273.377 -1.176 20 0 CAADHN C[C@H]1OCCN[C@@H]1C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000494062404 582123581 /nfs/dbraw/zinc/12/35/81/582123581.db2.gz IBBQBXBWQPOXGJ-WOPDTQHZSA-N 0 3 298.387 -1.181 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000760214743 582123882 /nfs/dbraw/zinc/12/38/82/582123882.db2.gz LNHKWAPQDJMSRW-UWVGGRQHSA-N 0 3 270.333 -1.105 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)N(C)C ZINC000735037048 582127943 /nfs/dbraw/zinc/12/79/43/582127943.db2.gz ZHDNHKUIXJBOTL-QMMMGPOBSA-N 0 3 268.317 -1.236 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)N(C)C ZINC000735037042 582127949 /nfs/dbraw/zinc/12/79/49/582127949.db2.gz ZHDNHKUIXJBOTL-MRVPVSSYSA-N 0 3 268.317 -1.236 20 0 CAADHN CN(CCO)CCNC(=O)Nc1ccc(=O)n(C)n1 ZINC000888443310 582135991 /nfs/dbraw/zinc/13/59/91/582135991.db2.gz NIMSVLMAIMXHRQ-UHFFFAOYSA-N 0 3 269.305 -1.174 20 0 CAADHN O=C([C@@H]1CCCN(C[C@H](O)CO)C1)N1CCOCC1 ZINC000839291233 582139847 /nfs/dbraw/zinc/13/98/47/582139847.db2.gz JXXUJHRHKSHVMH-NEPJUHHUSA-N 0 3 272.345 -1.090 20 0 CAADHN O=C([C@H]1CCCN(C[C@H](O)CO)C1)N1CCOCC1 ZINC000839291234 582139855 /nfs/dbraw/zinc/13/98/55/582139855.db2.gz JXXUJHRHKSHVMH-RYUDHWBXSA-N 0 3 272.345 -1.090 20 0 CAADHN C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N(C)CCN(C)C ZINC000839332697 582139899 /nfs/dbraw/zinc/13/98/99/582139899.db2.gz OANHQCLDSPRIBC-JTQLQIEISA-N 0 3 284.360 -1.305 20 0 CAADHN CN(C)CCn1nnnc1SCCS(N)(=O)=O ZINC000740766792 582139973 /nfs/dbraw/zinc/13/99/73/582139973.db2.gz KPJMLAUHPMECOI-UHFFFAOYSA-N 0 3 280.379 -1.385 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN1CCC[C@@H]1C ZINC000742240640 582140569 /nfs/dbraw/zinc/14/05/69/582140569.db2.gz SDUWNJNRQVCOLS-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN NS(=O)(=O)CCN1CC[C@H](CN2CCOCC2)C1 ZINC000741809016 582140584 /nfs/dbraw/zinc/14/05/84/582140584.db2.gz NWBDKXNZNPUWCQ-NSHDSACASA-N 0 3 277.390 -1.071 20 0 CAADHN C[C@H]1CCCN1CCNC(=O)c1cn(CC(N)=O)nn1 ZINC000744345552 582141092 /nfs/dbraw/zinc/14/10/92/582141092.db2.gz PENODMBTDFANIZ-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)NC(CO)CO ZINC000745800469 582141457 /nfs/dbraw/zinc/14/14/57/582141457.db2.gz APQQSWURFCZHCX-QWRGUYRKSA-N 0 3 273.333 -1.498 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)NC(CO)CO ZINC000745800467 582141480 /nfs/dbraw/zinc/14/14/80/582141480.db2.gz APQQSWURFCZHCX-MNOVXSKESA-N 0 3 273.333 -1.498 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCNC(N)=O)CC1=O ZINC000746272066 582141603 /nfs/dbraw/zinc/14/16/03/582141603.db2.gz HQKADKFREMEWDK-VIFPVBQESA-N 0 3 285.348 -1.819 20 0 CAADHN CN(C)CCN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000748409217 582142303 /nfs/dbraw/zinc/14/23/03/582142303.db2.gz WRCBXSUVQJCGFG-UHFFFAOYSA-N 0 3 268.317 -1.282 20 0 CAADHN CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(=O)[nH][n-]1 ZINC000748338543 582142342 /nfs/dbraw/zinc/14/23/42/582142342.db2.gz FKEOWLXQYHJHDL-UHFFFAOYSA-N 0 3 269.349 -1.186 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000751462437 582143374 /nfs/dbraw/zinc/14/33/74/582143374.db2.gz DQPLVFHHQAMOTR-VHSXEESVSA-N 0 3 291.373 -1.485 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000751462433 582143390 /nfs/dbraw/zinc/14/33/90/582143390.db2.gz DQPLVFHHQAMOTR-NXEZZACHSA-N 0 3 291.373 -1.485 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CCCS(C)(=O)=O ZINC000752879042 582143976 /nfs/dbraw/zinc/14/39/76/582143976.db2.gz HWEUWPVNZVRBEA-SSDOTTSWSA-N 0 3 284.359 -1.172 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NCC1CC1 ZINC000752907436 582143988 /nfs/dbraw/zinc/14/39/88/582143988.db2.gz RNJMRCCUKKHURS-SSDOTTSWSA-N 0 3 275.330 -1.080 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NC(N)=O ZINC000752885955 582143995 /nfs/dbraw/zinc/14/39/95/582143995.db2.gz UYCDRTZANVLHIE-SCSAIBSYSA-N 0 3 264.263 -2.411 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CCCS(C)(=O)=O ZINC000752879047 582144098 /nfs/dbraw/zinc/14/40/98/582144098.db2.gz HWEUWPVNZVRBEA-ZETCQYMHSA-N 0 3 284.359 -1.172 20 0 CAADHN COC(=O)C[C@@H](NCC(=O)N1CCNC(=O)C1)C1CC1 ZINC000754541067 582144598 /nfs/dbraw/zinc/14/45/98/582144598.db2.gz XTRPZNOEWLOUPZ-SNVBAGLBSA-N 0 3 283.328 -1.124 20 0 CAADHN CCN1CCN(CCC(=O)N2C[C@H](O)C[C@H](O)C2)CC1 ZINC000755433971 582144923 /nfs/dbraw/zinc/14/49/23/582144923.db2.gz WYFSNBAKXPHBEK-BETUJISGSA-N 0 3 285.388 -1.032 20 0 CAADHN Cn1cnn(CN2CCN(CC(C)(C)O)CC2)c1=O ZINC000758328735 582145948 /nfs/dbraw/zinc/14/59/48/582145948.db2.gz AVHINRMHPGOHFM-UHFFFAOYSA-N 0 3 269.349 -1.072 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000760214737 582147365 /nfs/dbraw/zinc/14/73/65/582147365.db2.gz LNHKWAPQDJMSRW-NXEZZACHSA-N 0 3 270.333 -1.105 20 0 CAADHN Cn1ncc(CNC(=O)[C@@H]2CN3CCN2CCC3)n1 ZINC000805207015 582147545 /nfs/dbraw/zinc/14/75/45/582147545.db2.gz VLRQESQUZSTGMP-NSHDSACASA-N 0 3 264.333 -1.179 20 0 CAADHN CN(C)CCNC(=O)NCCOCCS(C)(=O)=O ZINC000762426173 582148105 /nfs/dbraw/zinc/14/81/05/582148105.db2.gz PDPGYUBCXRYCRI-UHFFFAOYSA-N 0 3 281.378 -1.092 20 0 CAADHN CN1CC[C@](O)(CNC(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC000762721278 582148281 /nfs/dbraw/zinc/14/82/81/582148281.db2.gz KBWOKIPCZSHXNE-ZDUSSCGKSA-N 0 3 298.343 -1.860 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CCN2CCOCC2)C1 ZINC000762719977 582148296 /nfs/dbraw/zinc/14/82/96/582148296.db2.gz UBWKRXYMQQSWJX-CYBMUJFWSA-N 0 3 271.361 -1.109 20 0 CAADHN O=C(CN[C@@H](CCO)C1CC1)N1CCNC(=O)C1 ZINC000763059768 582148479 /nfs/dbraw/zinc/14/84/79/582148479.db2.gz RUTIFXVGARBTHA-JTQLQIEISA-N 0 3 255.318 -1.305 20 0 CAADHN CCN(CC(=O)NC)C(=O)[C@H]1CN2CCN1CCC2 ZINC000763804258 582148855 /nfs/dbraw/zinc/14/88/55/582148855.db2.gz CEHHFVRVUGFASV-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN C[C@H](O)C(=O)N1CCN(C(=S)NCCN(C)C)CC1 ZINC000765515993 582150194 /nfs/dbraw/zinc/15/01/94/582150194.db2.gz GKESHESZFOUIPN-JTQLQIEISA-N 0 3 288.417 -1.053 20 0 CAADHN C[C@@H](NC(=O)CN[C@H](CO)C1CC1)C(=O)N(C)C ZINC000771811883 582152838 /nfs/dbraw/zinc/15/28/38/582152838.db2.gz FKEKTXCVDFHQJF-PSASIEDQSA-N 0 3 257.334 -1.060 20 0 CAADHN C[C@@H](NC(=O)CN[C@@H](CO)C1CC1)C(=O)N(C)C ZINC000771811892 582152876 /nfs/dbraw/zinc/15/28/76/582152876.db2.gz FKEKTXCVDFHQJF-SCZZXKLOSA-N 0 3 257.334 -1.060 20 0 CAADHN C[C@H](NC(=O)CN[C@@H](CO)C1CC1)C(=O)N(C)C ZINC000771811895 582152878 /nfs/dbraw/zinc/15/28/78/582152878.db2.gz FKEKTXCVDFHQJF-WPRPVWTQSA-N 0 3 257.334 -1.060 20 0 CAADHN COC(=O)CNC(=O)[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000772511676 582153517 /nfs/dbraw/zinc/15/35/17/582153517.db2.gz MFBBVXQKFQIIMK-SFYZADRCSA-N 0 3 286.284 -1.314 20 0 CAADHN COC(=O)CNC(=O)[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000772511672 582153519 /nfs/dbraw/zinc/15/35/19/582153519.db2.gz MFBBVXQKFQIIMK-JGVFFNPUSA-N 0 3 286.284 -1.314 20 0 CAADHN COC(=O)CNC(=O)[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000772511647 582153548 /nfs/dbraw/zinc/15/35/48/582153548.db2.gz MFBBVXQKFQIIMK-HTQZYQBOSA-N 0 3 286.284 -1.314 20 0 CAADHN CNS(=O)(=O)CCCOC(=O)C1CCN(C)C1=O ZINC000772517438 582153589 /nfs/dbraw/zinc/15/35/89/582153589.db2.gz IFJOALZSTDRPGQ-QMMMGPOBSA-N 0 3 278.330 -1.053 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N1CCOCC1 ZINC000774178057 582154595 /nfs/dbraw/zinc/15/45/95/582154595.db2.gz IPVUCBNBWKNDGS-RYUDHWBXSA-N 0 3 297.355 -1.175 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCOCC1 ZINC000774178052 582154610 /nfs/dbraw/zinc/15/46/10/582154610.db2.gz IPVUCBNBWKNDGS-NEPJUHHUSA-N 0 3 297.355 -1.175 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1C[C@H](O)C[C@H]1CO ZINC000776134827 582155420 /nfs/dbraw/zinc/15/54/20/582155420.db2.gz IXQVWHHDDCWZGR-RVMXOQNASA-N 0 3 299.371 -1.013 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1C[C@@H](O)C[C@H]1CO ZINC000776134822 582155520 /nfs/dbraw/zinc/15/55/20/582155520.db2.gz IXQVWHHDDCWZGR-CYDGBPFRSA-N 0 3 299.371 -1.013 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NN2CCCNC2=O)CC1=O ZINC000779446775 582157375 /nfs/dbraw/zinc/15/73/75/582157375.db2.gz RFGKBEXGKAMPAF-JTQLQIEISA-N 0 3 297.359 -1.157 20 0 CAADHN CN(C)CCNC(=S)NCCN1CCNC(=O)C1 ZINC000781114411 582157998 /nfs/dbraw/zinc/15/79/98/582157998.db2.gz KURRIZYYACMCNT-UHFFFAOYSA-N 0 3 273.406 -1.556 20 0 CAADHN CN1CCC(NC(=S)NCCN2CCNC(=O)C2)CC1 ZINC000781113114 582158000 /nfs/dbraw/zinc/15/80/00/582158000.db2.gz AIKQVSRYUQHKMU-UHFFFAOYSA-N 0 3 299.444 -1.024 20 0 CAADHN COC(=O)CNC(=O)CCN1C[C@@H]2C[C@]2(CO)C1 ZINC000782619300 582158985 /nfs/dbraw/zinc/15/89/85/582158985.db2.gz JBLSLGOMURUWBD-JOYOIKCWSA-N 0 3 256.302 -1.020 20 0 CAADHN C[C@@H]1CCCN1CCNC(=O)C(=O)NCC(=O)N(C)C ZINC000782638905 582159150 /nfs/dbraw/zinc/15/91/50/582159150.db2.gz WYTBRGIVBCDCHS-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCn2ccnn2)CC1=O ZINC000782828794 582159242 /nfs/dbraw/zinc/15/92/42/582159242.db2.gz XMZLOZMIWHABMY-NSHDSACASA-N 0 3 294.359 -1.196 20 0 CAADHN NC(=O)C1=NO[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000793902558 582164221 /nfs/dbraw/zinc/16/42/21/582164221.db2.gz MTRYUWGIUFWBAH-GXSJLCMTSA-N 0 3 295.343 -1.877 20 0 CAADHN CC[C@H](O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000799308671 582167282 /nfs/dbraw/zinc/16/72/82/582167282.db2.gz BBGSFXNRMHVFFS-QJPTWQEYSA-N 0 3 292.401 -1.155 20 0 CAADHN CC[C@H](O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000799308678 582167380 /nfs/dbraw/zinc/16/73/80/582167380.db2.gz BBGSFXNRMHVFFS-TUAOUCFPSA-N 0 3 292.401 -1.155 20 0 CAADHN CN(CCO)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804061227 582168604 /nfs/dbraw/zinc/16/86/04/582168604.db2.gz SUGBDCZRYUNIDV-GHMZBOCLSA-N 0 3 285.344 -1.584 20 0 CAADHN C[C@H](O)CN(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804059931 582168627 /nfs/dbraw/zinc/16/86/27/582168627.db2.gz OOYZNLNERYRCAR-QJPTWQEYSA-N 0 3 299.371 -1.195 20 0 CAADHN CCN(CCO)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804054807 582168697 /nfs/dbraw/zinc/16/86/97/582168697.db2.gz BPFRIVWZTZVVRU-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN CCN(CCO)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804054808 582168705 /nfs/dbraw/zinc/16/87/05/582168705.db2.gz BPFRIVWZTZVVRU-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1Cc1ncnn1C ZINC000806571656 582169208 /nfs/dbraw/zinc/16/92/08/582169208.db2.gz XWNWJHFHTAKZSU-ZCFIWIBFSA-N 0 3 259.291 -1.278 20 0 CAADHN CCN(CCO)CCNC(=O)NCc1cnn(C)n1 ZINC000807568242 582169295 /nfs/dbraw/zinc/16/92/95/582169295.db2.gz OUGOIOAHXZKUID-UHFFFAOYSA-N 0 3 270.337 -1.072 20 0 CAADHN Cc1nonc1CNC(=O)C(=O)NCCOCCN(C)C ZINC000807817994 582169470 /nfs/dbraw/zinc/16/94/70/582169470.db2.gz DNAJRPSBFBFMQF-UHFFFAOYSA-N 0 3 299.331 -1.311 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000808175430 582169936 /nfs/dbraw/zinc/16/99/36/582169936.db2.gz VBMKSJIUNXOUFG-UWVGGRQHSA-N 0 3 257.334 -1.107 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](CO)CN1CCCC1 ZINC000808221301 582170111 /nfs/dbraw/zinc/17/01/11/582170111.db2.gz PJOHQTLBWOMFMU-JTQLQIEISA-N 0 3 296.327 -1.478 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000808220523 582170129 /nfs/dbraw/zinc/17/01/29/582170129.db2.gz IBNVAMLMJNYRCX-SNVBAGLBSA-N 0 3 293.389 -1.501 20 0 CAADHN C[N@@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)[N-]C3=O)C[C@@H]2C1 ZINC000812329177 582172034 /nfs/dbraw/zinc/17/20/34/582172034.db2.gz HESYSPVCVWDWBG-ZJUUUORDSA-N 0 3 280.328 -1.052 20 0 CAADHN C[N@H+]1CC[C@@H]2CN(C(=O)CN3CC(=O)[N-]C3=O)C[C@@H]2C1 ZINC000812329177 582172035 /nfs/dbraw/zinc/17/20/35/582172035.db2.gz HESYSPVCVWDWBG-ZJUUUORDSA-N 0 3 280.328 -1.052 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCc2cnnn2C)CC1=O ZINC000813792511 582172539 /nfs/dbraw/zinc/17/25/39/582172539.db2.gz AAVBCVCVPHHMHF-JTQLQIEISA-N 0 3 294.359 -1.159 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000814143895 582172592 /nfs/dbraw/zinc/17/25/92/582172592.db2.gz CFEUCUGWSCQCDS-ONGXEEELSA-N 0 3 292.339 -1.140 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000818105414 582175632 /nfs/dbraw/zinc/17/56/32/582175632.db2.gz IJRDUQHITNLDTO-DTWKUNHWSA-N 0 3 277.346 -1.888 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2C[C@H](F)CN2)c(=O)n(C)c1=O ZINC000818603989 582176450 /nfs/dbraw/zinc/17/64/50/582176450.db2.gz WVBWIGZGTXTRFV-YUMQZZPRSA-N 0 3 284.291 -1.486 20 0 CAADHN CCS(=O)(=O)NCCNCCC(=O)N(C)OC ZINC000818955379 582177044 /nfs/dbraw/zinc/17/70/44/582177044.db2.gz UFTOXDPSNLCXLY-UHFFFAOYSA-N 0 3 267.351 -1.075 20 0 CAADHN CSC[C@@H](O)CNCCS(=O)(=O)N1CCOCC1 ZINC000818989491 582177077 /nfs/dbraw/zinc/17/70/77/582177077.db2.gz NQIWDBSSMDOIAW-JTQLQIEISA-N 0 3 298.430 -1.038 20 0 CAADHN CON(C)C(=O)CCNCC(=O)N1CCOCC1 ZINC000819210258 582177186 /nfs/dbraw/zinc/17/71/86/582177186.db2.gz ATUWUDMHUQTYLP-UHFFFAOYSA-N 0 3 259.306 -1.155 20 0 CAADHN CCS(=O)(=O)CCNCCN1CCNC(=O)C1 ZINC000819218263 582177193 /nfs/dbraw/zinc/17/71/93/582177193.db2.gz DZKYQXRSSDLHFP-UHFFFAOYSA-N 0 3 263.363 -1.558 20 0 CAADHN CCOC(=O)CC[C@@H](O)CNC[C@H]1CC(C(N)=O)=NO1 ZINC000819252410 582177365 /nfs/dbraw/zinc/17/73/65/582177365.db2.gz GZHDOJBLUIIMNF-RKDXNWHRSA-N 0 3 287.316 -1.090 20 0 CAADHN CN(C[C@@H](O)CNC[C@@H]1CC(C(N)=O)=NO1)C1CC1 ZINC000819252784 582177408 /nfs/dbraw/zinc/17/74/08/582177408.db2.gz KRNPPPQQBJGNRH-UWVGGRQHSA-N 0 3 270.333 -1.339 20 0 CAADHN CCOC(=O)CC[C@@H](O)CNC[C@@H]1CC(C(N)=O)=NO1 ZINC000819252407 582177416 /nfs/dbraw/zinc/17/74/16/582177416.db2.gz GZHDOJBLUIIMNF-BDAKNGLRSA-N 0 3 287.316 -1.090 20 0 CAADHN CCOC(=O)CC[C@H](O)CNC[C@H]1CC(C(N)=O)=NO1 ZINC000819252408 582177496 /nfs/dbraw/zinc/17/74/96/582177496.db2.gz GZHDOJBLUIIMNF-DTWKUNHWSA-N 0 3 287.316 -1.090 20 0 CAADHN CS(=O)(=O)CCNC1CC(NS(C)(=O)=O)C1 ZINC000819295666 582177501 /nfs/dbraw/zinc/17/75/01/582177501.db2.gz RJMOBMVQMXNCPI-UHFFFAOYSA-N 0 3 270.376 -1.299 20 0 CAADHN C[C@H](O)c1cn(CC(=O)N[C@H](CO)CN2CCCC2)nn1 ZINC000819837826 582178215 /nfs/dbraw/zinc/17/82/15/582178215.db2.gz SNUBGDPEXHGCNX-QWRGUYRKSA-N 0 3 297.359 -1.096 20 0 CAADHN C[C@@H](O)c1cn(CC(=O)N[C@@H](CO)CN2CCCC2)nn1 ZINC000819837824 582178235 /nfs/dbraw/zinc/17/82/35/582178235.db2.gz SNUBGDPEXHGCNX-GHMZBOCLSA-N 0 3 297.359 -1.096 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CO)CN1CCCC1 ZINC000819838469 582178253 /nfs/dbraw/zinc/17/82/53/582178253.db2.gz ZLXACTPWJWUEQY-VIFPVBQESA-N 0 3 258.322 -1.512 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1=NN(CCO)C(=O)CC1 ZINC000819825347 582178279 /nfs/dbraw/zinc/17/82/79/582178279.db2.gz RYENOPSRGTVGDG-SECBINFHSA-N 0 3 286.332 -2.004 20 0 CAADHN C[C@H](O)c1cn(CC(=O)N[C@@H](CO)CN2CCCC2)nn1 ZINC000819837827 582178303 /nfs/dbraw/zinc/17/83/03/582178303.db2.gz SNUBGDPEXHGCNX-WDEREUQCSA-N 0 3 297.359 -1.096 20 0 CAADHN C[NH+](C)CCN(CC(=O)[O-])C(=O)[C@@H]1CN2CCN1CCC2 ZINC000820539083 582180160 /nfs/dbraw/zinc/18/01/60/582180160.db2.gz FTQPQWBLDKCNLU-LBPRGKRZSA-N 0 3 298.387 -1.149 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CN1CCOC1=O ZINC000821245502 582181628 /nfs/dbraw/zinc/18/16/28/582181628.db2.gz CZGOZDURCGVNRA-NSHDSACASA-N 0 3 259.306 -1.133 20 0 CAADHN O=C(CO)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000821361518 582182165 /nfs/dbraw/zinc/18/21/65/582182165.db2.gz RQXZVZNVGYIWNI-UHFFFAOYSA-N 0 3 255.318 -1.255 20 0 CAADHN CCN(CCO)CCNC(=O)CN1CCOC1=O ZINC000822011060 582183675 /nfs/dbraw/zinc/18/36/75/582183675.db2.gz HFHGZPVWFGPQHT-UHFFFAOYSA-N 0 3 259.306 -1.131 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)c1ccn(CCN(C)C)n1 ZINC000822537570 582184280 /nfs/dbraw/zinc/18/42/80/582184280.db2.gz ILBIRIAMZDHFQO-MWLCHTKSSA-N 0 3 270.333 -1.084 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)c1ccnn1CCN(C)C ZINC000822537569 582184293 /nfs/dbraw/zinc/18/42/93/582184293.db2.gz IKVKRRXYWPWOFC-NXEZZACHSA-N 0 3 270.333 -1.084 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000822527007 582184307 /nfs/dbraw/zinc/18/43/07/582184307.db2.gz MKKVRWVXHGFTII-OUAUKWLOSA-N 0 3 287.360 -1.746 20 0 CAADHN O=C(CN1CCCC1)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000823369690 582185576 /nfs/dbraw/zinc/18/55/76/582185576.db2.gz HTNRTUNCKNRQOH-DTORHVGOSA-N 0 3 251.286 -1.187 20 0 CAADHN O=C(CN1CCOC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000824300375 582186769 /nfs/dbraw/zinc/18/67/69/582186769.db2.gz BZIDCUVCGJKUQR-VHSXEESVSA-N 0 3 269.301 -1.284 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CC(=O)NC(=O)N1 ZINC000824740318 582187215 /nfs/dbraw/zinc/18/72/15/582187215.db2.gz DEDVUKKDBBUFHE-AEJSXWLSSA-N 0 3 296.327 -1.436 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC(=O)N1 ZINC000824733859 582187281 /nfs/dbraw/zinc/18/72/81/582187281.db2.gz RYXVIGPTNNUAJX-IVZWLZJFSA-N 0 3 253.302 -1.146 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)NC1=O ZINC000824733890 582187301 /nfs/dbraw/zinc/18/73/01/582187301.db2.gz SPMNBPVGUZRIHU-GMTAPVOTSA-N 0 3 282.344 -1.011 20 0 CAADHN C[C@H](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)N(C)C ZINC000824948443 582187716 /nfs/dbraw/zinc/18/77/16/582187716.db2.gz GAMCLSMKMNBMMA-BDAKNGLRSA-N 0 3 291.373 -1.644 20 0 CAADHN CC(=O)NCCNC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000825525474 582188866 /nfs/dbraw/zinc/18/88/66/582188866.db2.gz DTEKPKXOZYKMMV-SNVBAGLBSA-N 0 3 299.375 -1.116 20 0 CAADHN CC(=O)NCCNC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000825525473 582188874 /nfs/dbraw/zinc/18/88/74/582188874.db2.gz DTEKPKXOZYKMMV-JTQLQIEISA-N 0 3 299.375 -1.116 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000826998729 582191799 /nfs/dbraw/zinc/19/17/99/582191799.db2.gz IDUPJCDHNWXTGH-GFCCVEGCSA-N 0 3 272.324 -1.422 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](O)[C@@H](O)C2)CC1=O ZINC000827598646 582193028 /nfs/dbraw/zinc/19/30/28/582193028.db2.gz HFYSWQBAVSCLTL-TUAOUCFPSA-N 0 3 299.371 -1.649 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H](O)[C@@H](O)C1 ZINC000827591359 582193073 /nfs/dbraw/zinc/19/30/73/582193073.db2.gz RIVDDUCRFKLIMQ-TUAOUCFPSA-N 0 3 269.345 -1.670 20 0 CAADHN O=C(CN1CCNCC1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000827935839 582193633 /nfs/dbraw/zinc/19/36/33/582193633.db2.gz BHGDHCKHTYBBQH-VXGBXAGGSA-N 0 3 296.371 -1.602 20 0 CAADHN COC(=O)C[C@H](N)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000827936245 582193659 /nfs/dbraw/zinc/19/36/59/582193659.db2.gz HOEYZQFWZHQJKS-DCAQKATOSA-N 0 3 285.344 -1.144 20 0 CAADHN CC(C)[C@H](N)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000827986720 582194090 /nfs/dbraw/zinc/19/40/90/582194090.db2.gz ZEZAAFWUYHJJTC-JTQLQIEISA-N 0 3 293.389 -1.252 20 0 CAADHN CC(C)[C@@H](N)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000827986721 582194119 /nfs/dbraw/zinc/19/41/19/582194119.db2.gz ZEZAAFWUYHJJTC-SNVBAGLBSA-N 0 3 293.389 -1.252 20 0 CAADHN CNCC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000827986424 582194128 /nfs/dbraw/zinc/19/41/28/582194128.db2.gz VDUARWODTYFTRE-UHFFFAOYSA-N 0 3 265.335 -2.016 20 0 CAADHN CCN(OC)C(=O)CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000828171084 582194495 /nfs/dbraw/zinc/19/44/95/582194495.db2.gz XQTIWAYNAAGMKN-LBPRGKRZSA-N 0 3 288.348 -1.238 20 0 CAADHN O=C(NCCCN1C(=O)CNC1=O)[C@]1(F)CCNC1 ZINC000828978911 582196360 /nfs/dbraw/zinc/19/63/60/582196360.db2.gz ZWFNRIBXQPIYOG-NSHDSACASA-N 0 3 272.280 -1.254 20 0 CAADHN CCNS(=O)(=O)CCNC(=O)[C@@]1(F)CCNC1 ZINC000829085761 582196475 /nfs/dbraw/zinc/19/64/75/582196475.db2.gz CUVHRXOTZZTXCW-SECBINFHSA-N 0 3 267.326 -1.257 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC=C(N)N2)CC1=O ZINC000829831662 582197491 /nfs/dbraw/zinc/19/74/91/582197491.db2.gz QHFUBGBVFTYQJY-SECBINFHSA-N 0 3 267.333 -1.457 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC=C(N)N2)CC1=O ZINC000829831664 582197495 /nfs/dbraw/zinc/19/74/95/582197495.db2.gz QHFUBGBVFTYQJY-VIFPVBQESA-N 0 3 267.333 -1.457 20 0 CAADHN COC(=O)C1(O)CN(C(=O)c2ccn(CCN(C)C)n2)C1 ZINC000829977314 582197978 /nfs/dbraw/zinc/19/79/78/582197978.db2.gz FLNPYLGJUNXMOK-UHFFFAOYSA-N 0 3 296.327 -1.195 20 0 CAADHN CS(=O)(=O)CCOCCNC(=O)[C@@]1(F)CCNC1 ZINC000830457017 582198996 /nfs/dbraw/zinc/19/89/96/582198996.db2.gz WKNLWYNKXYMOSZ-SNVBAGLBSA-N 0 3 282.337 -1.135 20 0 CAADHN NS(=O)(=O)[C@@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000831412755 582202044 /nfs/dbraw/zinc/20/20/44/582202044.db2.gz XJXIOIJXZJTQLP-APPZFPTMSA-N 0 3 265.310 -1.423 20 0 CAADHN NS(=O)(=O)[C@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000831412756 582202071 /nfs/dbraw/zinc/20/20/71/582202071.db2.gz XJXIOIJXZJTQLP-CBAPKCEASA-N 0 3 265.310 -1.423 20 0 CAADHN CCO[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)CN(C)C ZINC000831708336 582203097 /nfs/dbraw/zinc/20/30/97/582203097.db2.gz RBIIBIBRAKFXHH-UWVGGRQHSA-N 0 3 293.389 -1.239 20 0 CAADHN CCO[C@H](CNC(=O)[C@H]1OCCN(C)C1=O)CN(C)C ZINC000831702469 582203117 /nfs/dbraw/zinc/20/31/17/582203117.db2.gz MFEBSMBTWMRICF-GHMZBOCLSA-N 0 3 287.360 -1.074 20 0 CAADHN CCO[C@@H](CNC(=O)CN1CCNC(=O)C1)CN(C)C ZINC000831703080 582203155 /nfs/dbraw/zinc/20/31/55/582203155.db2.gz QJQTVWJKSRCBDO-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CCO[C@@H](CNC(=O)CCNC(=O)CO)CN(C)C ZINC000831696430 582203169 /nfs/dbraw/zinc/20/31/69/582203169.db2.gz XUIMKTBZHMFJTA-JTQLQIEISA-N 0 3 275.349 -1.432 20 0 CAADHN CCO[C@H](CNC(=O)[C@@H]1OCCN(C)C1=O)CN(C)C ZINC000831702473 582203171 /nfs/dbraw/zinc/20/31/71/582203171.db2.gz MFEBSMBTWMRICF-MNOVXSKESA-N 0 3 287.360 -1.074 20 0 CAADHN CCO[C@@H](CNC(=O)Cn1cnc(N)n1)CN(C)C ZINC000831714706 582203265 /nfs/dbraw/zinc/20/32/65/582203265.db2.gz XRJRHTNDUVNUNS-VIFPVBQESA-N 0 3 270.337 -1.057 20 0 CAADHN CCO[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)CN(C)C ZINC000831719846 582203272 /nfs/dbraw/zinc/20/32/72/582203272.db2.gz VINCBXILQYDLGZ-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CC(=O)N1CCN(CCNC(=O)[C@@]2(F)CCNC2)CC1 ZINC000831822436 582203470 /nfs/dbraw/zinc/20/34/70/582203470.db2.gz HOJSQZRAFXQOET-CYBMUJFWSA-N 0 3 286.351 -1.032 20 0 CAADHN CCO[C@@H](CNC(=O)CNC(=O)NC)CN(C)C ZINC000831739235 582203475 /nfs/dbraw/zinc/20/34/75/582203475.db2.gz ULKZSIFZHQLQPZ-VIFPVBQESA-N 0 3 260.338 -1.002 20 0 CAADHN CCO[C@H](CNC(=O)CN(C)S(C)(=O)=O)CN(C)C ZINC000831766228 582203491 /nfs/dbraw/zinc/20/34/91/582203491.db2.gz KZCGMASISRQBRT-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN CCO[C@@H](CNC(=O)Cn1cnnn1)CN(C)C ZINC000831772023 582203519 /nfs/dbraw/zinc/20/35/19/582203519.db2.gz SRBZLHXNFNEUNU-VIFPVBQESA-N 0 3 256.310 -1.244 20 0 CAADHN CC(=O)N1CCN(CCNC(=O)[C@]2(F)CCNC2)CC1 ZINC000831822441 582203555 /nfs/dbraw/zinc/20/35/55/582203555.db2.gz HOJSQZRAFXQOET-ZDUSSCGKSA-N 0 3 286.351 -1.032 20 0 CAADHN CCO[C@@H](CNC(=O)CN(C)S(C)(=O)=O)CN(C)C ZINC000831766227 582203575 /nfs/dbraw/zinc/20/35/75/582203575.db2.gz KZCGMASISRQBRT-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN O=C(NCCN1CCS(=O)(=O)CC1)[C@]1(F)CCNC1 ZINC000831855211 582203687 /nfs/dbraw/zinc/20/36/87/582203687.db2.gz NMHJYSCHDNWPRW-NSHDSACASA-N 0 3 293.364 -1.465 20 0 CAADHN O=C(N1CCS(=O)(=O)CC1)[C@]1(F)CCNC1 ZINC000831905696 582203709 /nfs/dbraw/zinc/20/37/09/582203709.db2.gz MXQXYJNGLZUATK-VIFPVBQESA-N 0 3 250.295 -1.055 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000832097040 582204073 /nfs/dbraw/zinc/20/40/73/582204073.db2.gz UUWFTSVBZPZFTL-KCJUWKMLSA-N 0 3 259.281 -1.339 20 0 CAADHN O=C(CNC(=O)[C@]1(F)CCNC1)N1CCNCC1 ZINC000832410240 582204512 /nfs/dbraw/zinc/20/45/12/582204512.db2.gz SXDGIYBSHLIYES-NSHDSACASA-N 0 3 258.297 -1.764 20 0 CAADHN Cn1cc(C(=O)N2CCN(C)C[C@H]2CN)c(=O)n(C)c1=O ZINC000834299286 582210225 /nfs/dbraw/zinc/21/02/25/582210225.db2.gz NKXLBUKPCYVAGK-SECBINFHSA-N 0 3 295.343 -2.201 20 0 CAADHN Cn1cc(C(=O)N2CCN(C)C[C@@H]2CN)c(=O)n(C)c1=O ZINC000834299287 582210248 /nfs/dbraw/zinc/21/02/48/582210248.db2.gz NKXLBUKPCYVAGK-VIFPVBQESA-N 0 3 295.343 -2.201 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CCC=CO2)[C@H](CN)C1 ZINC000842025099 582212313 /nfs/dbraw/zinc/21/23/13/582212313.db2.gz SNEQZFPXGMYRCG-NEPJUHHUSA-N 0 3 296.371 -1.103 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CCC=CO2)[C@@H](CN)C1 ZINC000842025104 582212331 /nfs/dbraw/zinc/21/23/31/582212331.db2.gz SNEQZFPXGMYRCG-RYUDHWBXSA-N 0 3 296.371 -1.103 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1NC(=O)O[C@@H]1C ZINC000841426477 582212362 /nfs/dbraw/zinc/21/23/62/582212362.db2.gz YFNVQWSVCWYZMU-BDAKNGLRSA-N 0 3 259.306 -1.086 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1NC(=O)O[C@H]1C ZINC000841426485 582212384 /nfs/dbraw/zinc/21/23/84/582212384.db2.gz YFNVQWSVCWYZMU-IUCAKERBSA-N 0 3 259.306 -1.086 20 0 CAADHN CC(C)OCCNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000842153760 582212566 /nfs/dbraw/zinc/21/25/66/582212566.db2.gz OYWXBKKICSLVPG-NSHDSACASA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000842255560 582212665 /nfs/dbraw/zinc/21/26/65/582212665.db2.gz GAXRPAFOBHPHLG-WPRPVWTQSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000842255556 582212703 /nfs/dbraw/zinc/21/27/03/582212703.db2.gz GAXRPAFOBHPHLG-WCBMZHEXSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000842255553 582212767 /nfs/dbraw/zinc/21/27/67/582212767.db2.gz GAXRPAFOBHPHLG-SCZZXKLOSA-N 0 3 282.344 -1.471 20 0 CAADHN CN(CCN)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000842511155 582212904 /nfs/dbraw/zinc/21/29/04/582212904.db2.gz WOGDJWACWBNVLC-UHFFFAOYSA-N 0 3 284.341 -1.099 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)c1[nH]nc2c1CNCC2 ZINC000842511878 582212947 /nfs/dbraw/zinc/21/29/47/582212947.db2.gz ZPHJIWBYVAPFDY-QMMMGPOBSA-N 0 3 265.317 -1.226 20 0 CAADHN CN(C1CNC1)S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000842867760 582213424 /nfs/dbraw/zinc/21/34/24/582213424.db2.gz QGGGIPASFDWEHG-UHFFFAOYSA-N 0 3 291.373 -1.026 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843259950 582213626 /nfs/dbraw/zinc/21/36/26/582213626.db2.gz BDFHQVKTUNDBLJ-APPZFPTMSA-N 0 3 282.300 -1.969 20 0 CAADHN CON(C)C(=O)CCN[C@@H](CO)CN1CCOCC1 ZINC000843111110 582213655 /nfs/dbraw/zinc/21/36/55/582213655.db2.gz CWMDPGDEWDVQGM-LLVKDONJSA-N 0 3 275.349 -1.321 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000843264138 582213777 /nfs/dbraw/zinc/21/37/77/582213777.db2.gz MZOKYVSIKJVFDZ-UWVGGRQHSA-N 0 3 292.343 -1.047 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@]2(F)CCNC2)O1 ZINC000843449004 582214231 /nfs/dbraw/zinc/21/42/31/582214231.db2.gz GPLGCAWJKVIFPR-DKCNOQQISA-N 0 3 259.281 -1.163 20 0 CAADHN CCNCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC ZINC000843428448 582214247 /nfs/dbraw/zinc/21/42/47/582214247.db2.gz JNIDPWJYCCFPGS-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CCNCC(=O)NCC(=O)N1CCC[C@H]1C(=O)NC ZINC000843428453 582214297 /nfs/dbraw/zinc/21/42/97/582214297.db2.gz JNIDPWJYCCFPGS-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN C[C@H]1NCCN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1C ZINC000843473779 582214660 /nfs/dbraw/zinc/21/46/60/582214660.db2.gz MBAFKADMZAUDKK-BDAKNGLRSA-N 0 3 280.328 -1.094 20 0 CAADHN CCNCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000843484216 582214757 /nfs/dbraw/zinc/21/47/57/582214757.db2.gz IPNRYOSJNCGLCD-QMMMGPOBSA-N 0 3 257.290 -1.514 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@]1(F)CCNC1 ZINC000843482872 582214766 /nfs/dbraw/zinc/21/47/66/582214766.db2.gz AGSVBUBUGYMQEF-PELKAZGASA-N 0 3 287.291 -1.422 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@]1(F)CCNC1 ZINC000843482878 582214777 /nfs/dbraw/zinc/21/47/77/582214777.db2.gz AGSVBUBUGYMQEF-QPUJVOFHSA-N 0 3 287.291 -1.422 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@]1(F)CCNC1 ZINC000843482876 582214800 /nfs/dbraw/zinc/21/48/00/582214800.db2.gz AGSVBUBUGYMQEF-PRHODGIISA-N 0 3 287.291 -1.422 20 0 CAADHN CCNCC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000843501932 582214953 /nfs/dbraw/zinc/21/49/53/582214953.db2.gz RTXXSEASSOPPPM-UHFFFAOYSA-N 0 3 290.389 -1.958 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1COC(=O)N1 ZINC000844040794 582215693 /nfs/dbraw/zinc/21/56/93/582215693.db2.gz WHUKCDAXPZHXDB-RKDXNWHRSA-N 0 3 284.316 -1.327 20 0 CAADHN COC(=O)NCC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000844037714 582215701 /nfs/dbraw/zinc/21/57/01/582215701.db2.gz UTBSNHHOKIPJSS-VIFPVBQESA-N 0 3 286.332 -1.079 20 0 CAADHN CCN(OC)C(=O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000844067490 582215916 /nfs/dbraw/zinc/21/59/16/582215916.db2.gz OVUPIELKHMFSOR-NSHDSACASA-N 0 3 284.360 -1.098 20 0 CAADHN CCNCC(=O)NCC(=O)NCCN1CCOCC1 ZINC000844176670 582216298 /nfs/dbraw/zinc/21/62/98/582216298.db2.gz YUWPOZDCTJMDQW-UHFFFAOYSA-N 0 3 272.349 -1.840 20 0 CAADHN CN(C)CCN1CCN([C@H]2CCC(=O)NC2=O)CC1=O ZINC000844377358 582216658 /nfs/dbraw/zinc/21/66/58/582216658.db2.gz XEYGPCDWPQSIMI-JTQLQIEISA-N 0 3 282.344 -1.503 20 0 CAADHN CO[C@@H]1CC(=O)N(CN2CCN(CCN(C)C)C(=O)C2)C1 ZINC000844715577 582217003 /nfs/dbraw/zinc/21/70/03/582217003.db2.gz ZZTVMUDBZSLSJO-GFCCVEGCSA-N 0 3 298.387 -1.103 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2cnn(C)n2)CC1=O ZINC000844761762 582217189 /nfs/dbraw/zinc/21/71/89/582217189.db2.gz CNYSKAGNEQXILK-UHFFFAOYSA-N 0 3 280.332 -1.339 20 0 CAADHN CC(CO)(CO)NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000844954359 582217277 /nfs/dbraw/zinc/21/72/77/582217277.db2.gz PUYFFEZSMQAFAY-GHMZBOCLSA-N 0 3 287.360 -1.108 20 0 CAADHN CCON(C)C(=O)CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000845561828 582219366 /nfs/dbraw/zinc/21/93/66/582219366.db2.gz YGFDWMBCJBXLBE-LBPRGKRZSA-N 0 3 288.348 -1.238 20 0 CAADHN C[C@H]1OC(=O)N[C@@H]1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000846358130 582221482 /nfs/dbraw/zinc/22/14/82/582221482.db2.gz VXTWFAOOUMXQKP-KOLCDFICSA-N 0 3 298.343 -1.284 20 0 CAADHN C=CC(=O)NCCC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000846358515 582221487 /nfs/dbraw/zinc/22/14/87/582221487.db2.gz XROQIRITYYEVTC-UHFFFAOYSA-N 0 3 296.371 -1.089 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2COC(=O)N2)CC1=O ZINC000846361510 582221533 /nfs/dbraw/zinc/22/15/33/582221533.db2.gz FGBAWZHKLDJPTL-VIFPVBQESA-N 0 3 284.316 -1.673 20 0 CAADHN C[C@H]1OC(=O)N[C@H]1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000846358131 582221535 /nfs/dbraw/zinc/22/15/35/582221535.db2.gz VXTWFAOOUMXQKP-MWLCHTKSSA-N 0 3 298.343 -1.284 20 0 CAADHN CCON(C)C(=O)CNC(=O)C(C)S(C)(=O)=O ZINC000846502037 582221992 /nfs/dbraw/zinc/22/19/92/582221992.db2.gz QFYMHRALRPMXFE-ZETCQYMHSA-N 0 3 266.319 -1.054 20 0 CAADHN CCON(C)C(=O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000846504659 582222140 /nfs/dbraw/zinc/22/21/40/582222140.db2.gz QHYPTMVSFVMWLK-NSHDSACASA-N 0 3 284.360 -1.098 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCC12CCN(C)CC2 ZINC000846635759 582222463 /nfs/dbraw/zinc/22/24/63/582222463.db2.gz UOQHRVYBIYPJDX-UHFFFAOYSA-N 0 3 290.389 -1.263 20 0 CAADHN C[C@@H]1CCCN1CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC000846640613 582222702 /nfs/dbraw/zinc/22/27/02/582222702.db2.gz XYBCEILPULHXKU-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN O=C(NC[C@H]1COCCO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847293660 582224118 /nfs/dbraw/zinc/22/41/18/582224118.db2.gz PDTNKSLEJQJVNH-TUAOUCFPSA-N 0 3 285.344 -1.138 20 0 CAADHN COC(=O)N1CC(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000847340198 582224126 /nfs/dbraw/zinc/22/41/26/582224126.db2.gz CXSQTRKGVSLDFY-WDEREUQCSA-N 0 3 298.343 -1.103 20 0 CAADHN C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848305851 582226304 /nfs/dbraw/zinc/22/63/04/582226304.db2.gz ITCIXWYJLMTJHH-AXTSPUMRSA-N 0 3 269.301 -1.239 20 0 CAADHN O=C([C@@H]1COC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848306757 582226309 /nfs/dbraw/zinc/22/63/09/582226309.db2.gz IZFCMZIGCGTJRL-YIZRAAEISA-N 0 3 255.274 -1.628 20 0 CAADHN COC(=O)N(C)CC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848307727 582226330 /nfs/dbraw/zinc/22/63/30/582226330.db2.gz LDHWHFOCHFXQEZ-VHSXEESVSA-N 0 3 271.317 -1.038 20 0 CAADHN Cn1cnnc1N1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000848432578 582226474 /nfs/dbraw/zinc/22/64/74/582226474.db2.gz KKLKZXYFQPDNCD-BDAKNGLRSA-N 0 3 250.306 -1.189 20 0 CAADHN COC[C@@H](NC(=O)N[C@H](CN)C(F)(F)F)C(N)=O ZINC000848597844 582226630 /nfs/dbraw/zinc/22/66/30/582226630.db2.gz DQJHRNUZSXQOQJ-RFZPGFLSSA-N 0 3 272.227 -1.325 20 0 CAADHN CN(C)C(=O)CNC(=S)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848650928 582226812 /nfs/dbraw/zinc/22/68/12/582226812.db2.gz VKFZLIUEVFXCPH-VHSXEESVSA-N 0 3 286.401 -1.300 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848613514 582226819 /nfs/dbraw/zinc/22/68/19/582226819.db2.gz JUAXQPMTHOWCTK-LPEHRKFASA-N 0 3 270.333 -2.273 20 0 CAADHN COCC1(CNC(=O)C(=O)N(CCN)CCO)CC1 ZINC000848613028 582226826 /nfs/dbraw/zinc/22/68/26/582226826.db2.gz BYDWNGBMRRVLAA-UHFFFAOYSA-N 0 3 273.333 -1.691 20 0 CAADHN COCCN(C)C[C@@H](O)CN1C(=O)N[C@H](C)C1=O ZINC000848675122 582226829 /nfs/dbraw/zinc/22/68/29/582226829.db2.gz REMGIUGUCGOGDK-RKDXNWHRSA-N 0 3 259.306 -1.134 20 0 CAADHN CC1=C([O-])N(C)S(=O)(=O)N1C[C@H]1C[NH2+]CCO1 ZINC000849240685 582227632 /nfs/dbraw/zinc/22/76/32/582227632.db2.gz SFMZZSWVJQSFQH-JGVFFNPUSA-N 0 3 263.319 -1.618 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CCOCCO ZINC000849896442 582228078 /nfs/dbraw/zinc/22/80/78/582228078.db2.gz XCTDXYUGRZCRFY-ZETCQYMHSA-N 0 3 252.292 -1.597 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC[C@H]1CCNC1=O ZINC000849895610 582228090 /nfs/dbraw/zinc/22/80/90/582228090.db2.gz KULKSQWDGJHACK-JGVFFNPUSA-N 0 3 275.330 -1.080 20 0 CAADHN COC(=O)N(C)CCNC(=O)C(=O)N(C)CCN(C)C ZINC000850605892 582228415 /nfs/dbraw/zinc/22/84/15/582228415.db2.gz YKQDJZULFMYNSK-UHFFFAOYSA-N 0 3 288.348 -1.179 20 0 CAADHN NC(=O)C1=NO[C@@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000851660238 582229027 /nfs/dbraw/zinc/22/90/27/582229027.db2.gz IARXGOBHTFQAQF-BWZBUEFSSA-N 0 3 287.295 -1.303 20 0 CAADHN COC(=O)N(C)CCNC(=O)C(=O)N[C@H](C)CN ZINC000851688966 582229331 /nfs/dbraw/zinc/22/93/31/582229331.db2.gz IFMKFAMMXVFBCF-SSDOTTSWSA-N 0 3 260.294 -1.736 20 0 CAADHN COC(=O)N(C)CCNC(=O)C(=O)N(C)[C@H](C)CN ZINC000851690492 582229386 /nfs/dbraw/zinc/22/93/86/582229386.db2.gz DHIHTZURYSJCBT-MRVPVSSYSA-N 0 3 274.321 -1.394 20 0 CAADHN C[C@H]1CCC[C@@H](CNC(=O)C(=O)N(CCN)CCO)O1 ZINC000851690009 582229407 /nfs/dbraw/zinc/22/94/07/582229407.db2.gz UNQBYXINNLCIDJ-QWRGUYRKSA-N 0 3 287.360 -1.160 20 0 CAADHN COC(=O)N(C)CCNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000851690514 582229414 /nfs/dbraw/zinc/22/94/14/582229414.db2.gz DTTYONLJBCUXGG-UHFFFAOYSA-N 0 3 298.343 -1.250 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000851688466 582229422 /nfs/dbraw/zinc/22/94/22/582229422.db2.gz BFNWDTJIKTXALQ-GUBZILKMSA-N 0 3 255.318 -1.055 20 0 CAADHN C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N(CCN)CCO)O1 ZINC000851690008 582229444 /nfs/dbraw/zinc/22/94/44/582229444.db2.gz UNQBYXINNLCIDJ-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN CC(=O)N1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852789724 582230579 /nfs/dbraw/zinc/23/05/79/582230579.db2.gz LLPOFLZUWXVTMP-SECBINFHSA-N 0 3 254.290 -1.219 20 0 CAADHN CCS(=O)(=O)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000852744699 582230588 /nfs/dbraw/zinc/23/05/88/582230588.db2.gz HECSCTDSBXOIOA-NSHDSACASA-N 0 3 277.390 -1.058 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852795692 582230648 /nfs/dbraw/zinc/23/06/48/582230648.db2.gz ZLSYFZQCTVXUPN-SECBINFHSA-N 0 3 283.332 -2.020 20 0 CAADHN COCC(=O)N1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852809366 582230737 /nfs/dbraw/zinc/23/07/37/582230737.db2.gz DLFGAWRAPQBQLS-SECBINFHSA-N 0 3 284.316 -1.593 20 0 CAADHN CN(C)C(=O)N1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852812500 582230760 /nfs/dbraw/zinc/23/07/60/582230760.db2.gz YNECREFATFKRKD-SECBINFHSA-N 0 3 283.332 -1.084 20 0 CAADHN NC[C@H]1CC(C(=O)NCC(=O)NCC(F)(F)F)=NO1 ZINC000852817905 582230849 /nfs/dbraw/zinc/23/08/49/582230849.db2.gz LMVNJDKEGNNMGA-RXMQYKEDSA-N 0 3 282.222 -1.115 20 0 CAADHN NC[C@@H]1CC(C(=O)NCCC(=O)N2CCOCC2)=NO1 ZINC000852807301 582230869 /nfs/dbraw/zinc/23/08/69/582230869.db2.gz SFMSUCJKPRGRBA-VIFPVBQESA-N 0 3 284.316 -1.545 20 0 CAADHN CCNC(=O)N1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852805928 582230878 /nfs/dbraw/zinc/23/08/78/582230878.db2.gz CAXHQAKAKXKQEU-VIFPVBQESA-N 0 3 283.332 -1.036 20 0 CAADHN CN(CC(=O)NC1CC1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852805216 582230886 /nfs/dbraw/zinc/23/08/86/582230886.db2.gz SLDOIHCYIBAMGT-MRVPVSSYSA-N 0 3 254.290 -1.173 20 0 CAADHN CN(CC(=O)N1CCOCC1)C(=O)C1=NO[C@H](CN)C1 ZINC000852814881 582230888 /nfs/dbraw/zinc/23/08/88/582230888.db2.gz YGFKOCDGRSMRES-VIFPVBQESA-N 0 3 284.316 -1.593 20 0 CAADHN CCNC(=O)N1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852805927 582230900 /nfs/dbraw/zinc/23/09/00/582230900.db2.gz CAXHQAKAKXKQEU-SECBINFHSA-N 0 3 283.332 -1.036 20 0 CAADHN CN(C)C(=O)N1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852812501 582230904 /nfs/dbraw/zinc/23/09/04/582230904.db2.gz YNECREFATFKRKD-VIFPVBQESA-N 0 3 283.332 -1.084 20 0 CAADHN NC[C@H]1CC(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)=NO1 ZINC000852841763 582230931 /nfs/dbraw/zinc/23/09/31/582230931.db2.gz PBKSALOEYPHHEM-IONNQARKSA-N 0 3 266.301 -1.031 20 0 CAADHN NC[C@H]1CC(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)=NO1 ZINC000852841764 582230958 /nfs/dbraw/zinc/23/09/58/582230958.db2.gz PBKSALOEYPHHEM-VXNVDRBHSA-N 0 3 266.301 -1.031 20 0 CAADHN CN1CCC[C@H](NC(=O)C2=NO[C@H](CN)C2)C1=O ZINC000852841541 582230974 /nfs/dbraw/zinc/23/09/74/582230974.db2.gz LZYYQELVHKQWKL-YUMQZZPRSA-N 0 3 254.290 -1.173 20 0 CAADHN NC[C@H]1CC(C(=O)NCCN2CCCS2(=O)=O)=NO1 ZINC000852826007 582230987 /nfs/dbraw/zinc/23/09/87/582230987.db2.gz YMUHBCHOIVHOKR-MRVPVSSYSA-N 0 3 290.345 -1.758 20 0 CAADHN COC[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852843260 582231053 /nfs/dbraw/zinc/23/10/53/582231053.db2.gz UQOOFGJBAHNRFM-IUCAKERBSA-N 0 3 257.290 -1.036 20 0 CAADHN NC[C@@H]1CC(C(=O)NCCN2CCOCC2)=NO1 ZINC000852855540 582231193 /nfs/dbraw/zinc/23/11/93/582231193.db2.gz FMTWEXNAONXXCC-VIFPVBQESA-N 0 3 256.306 -1.462 20 0 CAADHN COC(=O)[C@]1(NC(=O)C2=NO[C@H](CN)C2)CCOC1 ZINC000852852677 582231207 /nfs/dbraw/zinc/23/12/07/582231207.db2.gz FHQTZFULEDYDNU-CPCISQLKSA-N 0 3 271.273 -1.462 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@]1(F)CCNC1 ZINC000852848642 582231233 /nfs/dbraw/zinc/23/12/33/582231233.db2.gz OOQWDJHAZHVLSJ-XKSSXDPKSA-N 0 3 280.321 -1.384 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000852848640 582231239 /nfs/dbraw/zinc/23/12/39/582231239.db2.gz OOQWDJHAZHVLSJ-NQMVMOMDSA-N 0 3 280.321 -1.384 20 0 CAADHN COC(=O)[C@@]1(NC(=O)C2=NO[C@@H](CN)C2)CCOC1 ZINC000852852679 582231258 /nfs/dbraw/zinc/23/12/58/582231258.db2.gz FHQTZFULEDYDNU-RDDDGLTNSA-N 0 3 271.273 -1.462 20 0 CAADHN COC(=O)[C@]1(NC(=O)C2=NO[C@@H](CN)C2)CCOC1 ZINC000852852678 582231266 /nfs/dbraw/zinc/23/12/66/582231266.db2.gz FHQTZFULEDYDNU-HQJQHLMTSA-N 0 3 271.273 -1.462 20 0 CAADHN NC[C@@H]1CC(C(=O)NCCCN2CCOCC2)=NO1 ZINC000852856705 582231269 /nfs/dbraw/zinc/23/12/69/582231269.db2.gz UGSXWJWRPASCKS-JTQLQIEISA-N 0 3 270.333 -1.072 20 0 CAADHN CC(C)N1C(=O)C[C@@H](NC(=O)C2=NO[C@@H](CN)C2)C1=O ZINC000852852474 582231271 /nfs/dbraw/zinc/23/12/71/582231271.db2.gz YVCRRJRSGLIZGG-VXNVDRBHSA-N 0 3 282.300 -1.258 20 0 CAADHN NC[C@H]1CC(C(=O)NCCCN2CCOCC2)=NO1 ZINC000852856706 582231274 /nfs/dbraw/zinc/23/12/74/582231274.db2.gz UGSXWJWRPASCKS-SNVBAGLBSA-N 0 3 270.333 -1.072 20 0 CAADHN CNC(=O)[C@H](C)CN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852852081 582231278 /nfs/dbraw/zinc/23/12/78/582231278.db2.gz NPBUMGXMEKRZKQ-SFYZADRCSA-N 0 3 256.306 -1.070 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852867525 582231439 /nfs/dbraw/zinc/23/14/39/582231439.db2.gz XCBNDOJSCVXVPT-NXEZZACHSA-N 0 3 270.333 -1.073 20 0 CAADHN COCCN1CC[C@H](NC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852867527 582231462 /nfs/dbraw/zinc/23/14/62/582231462.db2.gz XCBNDOJSCVXVPT-UWVGGRQHSA-N 0 3 270.333 -1.073 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CCN1S(C)(=O)=O ZINC000852860494 582231504 /nfs/dbraw/zinc/23/15/04/582231504.db2.gz DTKPMUCOEUDEPV-HLTSFMKQSA-N 0 3 261.347 -1.174 20 0 CAADHN C[C@H](CN1CCOCC1)NC(=O)C1=NO[C@H](CN)C1 ZINC000852858509 582231580 /nfs/dbraw/zinc/23/15/80/582231580.db2.gz BOFKGVQAZJZMLO-ZJUUUORDSA-N 0 3 270.333 -1.073 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852865805 582231597 /nfs/dbraw/zinc/23/15/97/582231597.db2.gz POFBKYZYLAMREX-NXEZZACHSA-N 0 3 270.333 -1.073 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1(O)CNC1 ZINC000852863653 582231619 /nfs/dbraw/zinc/23/16/19/582231619.db2.gz HVKCWANUUIIPAC-VHSXEESVSA-N 0 3 255.318 -1.700 20 0 CAADHN CCOC(=O)[C@@H](N)C(=O)N[C@H]1CNCCC1(F)F ZINC000852880462 582231706 /nfs/dbraw/zinc/23/17/06/582231706.db2.gz AFSMKZODKUJOTM-BQBZGAKWSA-N 0 3 265.260 -1.010 20 0 CAADHN CCOC(=O)[C@@H](N)C(=O)N[C@@H]1CNCCC1(F)F ZINC000852880465 582231764 /nfs/dbraw/zinc/23/17/64/582231764.db2.gz AFSMKZODKUJOTM-RQJHMYQMSA-N 0 3 265.260 -1.010 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)N[C@@H]1CNCCC1(F)F ZINC000852880464 582231774 /nfs/dbraw/zinc/23/17/74/582231774.db2.gz AFSMKZODKUJOTM-RNFRBKRXSA-N 0 3 265.260 -1.010 20 0 CAADHN NC[C@H]1CC(C(=O)N2CCC[C@H](C(N)=O)C2)=NO1 ZINC000852882683 582231787 /nfs/dbraw/zinc/23/17/87/582231787.db2.gz OBPLFCXZFXMDAE-JGVFFNPUSA-N 0 3 254.290 -1.186 20 0 CAADHN Cn1ccnc1[C@@H]1CNCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852877980 582231854 /nfs/dbraw/zinc/23/18/54/582231854.db2.gz KSTGTBXMNWNSMW-KOLCDFICSA-N 0 3 292.343 -1.003 20 0 CAADHN NC[C@H]1CC(C(=O)NCCNC(=O)c2ccn[nH]2)=NO1 ZINC000852888283 582231896 /nfs/dbraw/zinc/23/18/96/582231896.db2.gz ILCQPKXKJCUBTK-SSDOTTSWSA-N 0 3 280.288 -1.641 20 0 CAADHN C[C@H]1C(=O)NCCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852884523 582231913 /nfs/dbraw/zinc/23/19/13/582231913.db2.gz KOSQOPKRSYXJES-JGVFFNPUSA-N 0 3 254.290 -1.173 20 0 CAADHN NC[C@@H]1CC(C(=O)NCCNC(=O)c2ccn[nH]2)=NO1 ZINC000852888284 582231916 /nfs/dbraw/zinc/23/19/16/582231916.db2.gz ILCQPKXKJCUBTK-ZETCQYMHSA-N 0 3 280.288 -1.641 20 0 CAADHN NC[C@H]1CC(C(=O)NCCCn2ccnn2)=NO1 ZINC000852884563 582231942 /nfs/dbraw/zinc/23/19/42/582231942.db2.gz LJNBBCQEQKOGLF-MRVPVSSYSA-N 0 3 252.278 -1.112 20 0 CAADHN NC[C@H]1CC(C(=O)NCCN2CCCOCC2)=NO1 ZINC000852886587 582232012 /nfs/dbraw/zinc/23/20/12/582232012.db2.gz PXUIBMHKVQPWCP-SNVBAGLBSA-N 0 3 270.333 -1.072 20 0 CAADHN C[C@H]1C(=O)NCCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852884526 582232016 /nfs/dbraw/zinc/23/20/16/582232016.db2.gz KOSQOPKRSYXJES-YUMQZZPRSA-N 0 3 254.290 -1.173 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)C1=NO[C@H](CN)C1 ZINC000852884065 582232033 /nfs/dbraw/zinc/23/20/33/582232033.db2.gz SUVBXQXNAKXZOY-ZETCQYMHSA-N 0 3 286.288 -2.033 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)C1=NO[C@@H](CN)C1 ZINC000852884064 582232039 /nfs/dbraw/zinc/23/20/39/582232039.db2.gz SUVBXQXNAKXZOY-SSDOTTSWSA-N 0 3 286.288 -2.033 20 0 CAADHN COC(=O)c1cn(CCNC(=O)C2=NO[C@@H](CN)C2)nn1 ZINC000852890929 582232137 /nfs/dbraw/zinc/23/21/37/582232137.db2.gz NENZAOZHSHLVNT-SSDOTTSWSA-N 0 3 296.287 -1.716 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852888331 582232145 /nfs/dbraw/zinc/23/21/45/582232145.db2.gz JMCOLWTXBJNBLY-SFGNSQDASA-N 0 3 285.300 -1.385 20 0 CAADHN NC[C@@H]1CC(C(=O)NCC(=O)NCC2CC2)=NO1 ZINC000852888916 582232153 /nfs/dbraw/zinc/23/21/53/582232153.db2.gz OELXRGBDAMHMHC-QMMMGPOBSA-N 0 3 254.290 -1.268 20 0 CAADHN CCN1C[C@@H](NC(=O)C2=NO[C@H](CN)C2)CC1=O ZINC000852895268 582232169 /nfs/dbraw/zinc/23/21/69/582232169.db2.gz VULGEMCNZDPDLQ-YUMQZZPRSA-N 0 3 254.290 -1.173 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](NC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852896174 582232188 /nfs/dbraw/zinc/23/21/88/582232188.db2.gz UYRGXKDCWMLOKI-HTQZYQBOSA-N 0 3 290.345 -1.760 20 0 CAADHN CCN(CCS(C)(=O)=O)C(=O)C1=NO[C@H](CN)C1 ZINC000852888786 582232194 /nfs/dbraw/zinc/23/21/94/582232194.db2.gz JVTMJMUBQMKBAX-QMMMGPOBSA-N 0 3 277.346 -1.017 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)C[C@H](C)O1 ZINC000852896061 582232218 /nfs/dbraw/zinc/23/22/18/582232218.db2.gz RBSZAANSDFGGAU-XKSSXDPKSA-N 0 3 285.300 -1.121 20 0 CAADHN NC[C@@H]1CC(C(=O)NCc2nc(C(N)=O)cs2)=NO1 ZINC000852911189 582232427 /nfs/dbraw/zinc/23/24/27/582232427.db2.gz PMWVCANESFFVLO-YFKPBYRVSA-N 0 3 283.313 -1.038 20 0 CAADHN C[C@]1(C(N)=O)CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852912687 582232439 /nfs/dbraw/zinc/23/24/39/582232439.db2.gz FDPOAKOAFMCPRV-CPCISQLKSA-N 0 3 254.290 -1.186 20 0 CAADHN Cn1cnnc1N1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852897137 582232542 /nfs/dbraw/zinc/23/25/42/582232542.db2.gz LUSCYZMVGHRHBM-VIFPVBQESA-N 0 3 293.331 -1.433 20 0 CAADHN C[C@]1(C(N)=O)CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852912688 582232605 /nfs/dbraw/zinc/23/26/05/582232605.db2.gz FDPOAKOAFMCPRV-HQJQHLMTSA-N 0 3 254.290 -1.186 20 0 CAADHN CN(C)C[C@@H](O)CNc1cc(=O)n(C)c(=O)n1C ZINC000853151558 582233048 /nfs/dbraw/zinc/23/30/48/582233048.db2.gz QZQXBKIOWVTQGE-QMMMGPOBSA-N 0 3 256.306 -1.582 20 0 CAADHN COC(=O)N(C)CCNC[C@H](O)CN1CCN(C)CC1 ZINC000853118206 582233057 /nfs/dbraw/zinc/23/30/57/582233057.db2.gz GSOWFFMFDZNBNE-LBPRGKRZSA-N 0 3 288.392 -1.118 20 0 CAADHN COC(=O)NCCC(=O)N1CCOC2(CNC2)C1 ZINC000853245570 582233150 /nfs/dbraw/zinc/23/31/50/582233150.db2.gz LYYVCWLMWDUXMG-UHFFFAOYSA-N 0 3 257.290 -1.067 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000854296189 582233841 /nfs/dbraw/zinc/23/38/41/582233841.db2.gz HRVYFOVZCKWHDY-LLVKDONJSA-N 0 3 268.361 -1.172 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(C)C1=O ZINC000854465709 582234246 /nfs/dbraw/zinc/23/42/46/582234246.db2.gz UIYHVLPRCPIZAM-VHSXEESVSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCCN(C)C1=O ZINC000854465710 582234286 /nfs/dbraw/zinc/23/42/86/582234286.db2.gz UIYHVLPRCPIZAM-ZJUUUORDSA-N 0 3 257.334 -1.107 20 0 CAADHN CC(=O)N1CSC[C@H]1C(=O)N[C@H](CO)CN(C)C ZINC000854466451 582234298 /nfs/dbraw/zinc/23/42/98/582234298.db2.gz CYSSSUWLPZEAMX-UWVGGRQHSA-N 0 3 275.374 -1.054 20 0 CAADHN CC1=C(C(=O)N[C@H](CO)CN(C)C)Cn2nnnc2N1C ZINC000854463696 582234333 /nfs/dbraw/zinc/23/43/33/582234333.db2.gz DUJVNQBDAMVPEY-VIFPVBQESA-N 0 3 295.347 -1.564 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCc1cnn(C)n1 ZINC000854467983 582234474 /nfs/dbraw/zinc/23/44/74/582234474.db2.gz NJFMNUSXLSANOO-SNVBAGLBSA-N 0 3 255.322 -1.214 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2COC(=O)C2)CC1=O ZINC000854556157 582234825 /nfs/dbraw/zinc/23/48/25/582234825.db2.gz KHOKFTHPCLPEDD-UWVGGRQHSA-N 0 3 283.328 -1.172 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2COC(=O)C2)CC1=O ZINC000854556158 582234837 /nfs/dbraw/zinc/23/48/37/582234837.db2.gz KHOKFTHPCLPEDD-ZJUUUORDSA-N 0 3 283.328 -1.172 20 0 CAADHN CN(C)CCONC(=O)c1ccnc(S(N)(=O)=O)c1 ZINC000854945102 582236972 /nfs/dbraw/zinc/23/69/72/582236972.db2.gz AZQZDQXDMJRVKU-UHFFFAOYSA-N 0 3 288.329 -1.048 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCCN2C=O)CC1=O ZINC000855013902 582237186 /nfs/dbraw/zinc/23/71/86/582237186.db2.gz DFGSGAHHZOTSKG-LBPRGKRZSA-N 0 3 296.371 -1.160 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1COC(=O)N1 ZINC000855698681 582237847 /nfs/dbraw/zinc/23/78/47/582237847.db2.gz SRIITSWAEAKLLU-SECBINFHSA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000857103292 582238545 /nfs/dbraw/zinc/23/85/45/582238545.db2.gz GBTILGRZZMZCNW-KXUCPTDWSA-N 0 3 257.334 -1.073 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C)[C@H](CO)C1 ZINC000857103291 582238624 /nfs/dbraw/zinc/23/86/24/582238624.db2.gz GBTILGRZZMZCNW-GUBZILKMSA-N 0 3 257.334 -1.073 20 0 CAADHN CNS(=O)(=O)CCSc1nnnn1CCN(C)C ZINC000857219647 582238722 /nfs/dbraw/zinc/23/87/22/582238722.db2.gz LUPFPICITJCFSI-UHFFFAOYSA-N 0 3 294.406 -1.124 20 0 CAADHN O=C([N-][C@@H]1CC[NH2+]C1)C(F)(F)C(=O)N1CCOCC1 ZINC000857763034 582239307 /nfs/dbraw/zinc/23/93/07/582239307.db2.gz MOAVKOIOOPSSRZ-MRVPVSSYSA-N 0 3 277.271 -1.041 20 0 CAADHN O=C([N-]C1C[NH2+]C1)C(F)(F)C(=O)N1CCOCC1 ZINC000857764998 582239353 /nfs/dbraw/zinc/23/93/53/582239353.db2.gz HPIOUKFSATWDIW-UHFFFAOYSA-N 0 3 263.244 -1.432 20 0 CAADHN CCOC(=O)[C@@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC000858421456 582239949 /nfs/dbraw/zinc/23/99/49/582239949.db2.gz YFXOOSFSNYJHGS-LURJTMIESA-N 0 3 268.277 -1.196 20 0 CAADHN Nc1nc(N)nc(N2CCN(CCCCO)CC2)n1 ZINC000858421696 582239979 /nfs/dbraw/zinc/23/99/79/582239979.db2.gz GFBODHYOPUSDFZ-UHFFFAOYSA-N 0 3 267.337 -1.070 20 0 CAADHN CCOC(=O)C(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000858426479 582240012 /nfs/dbraw/zinc/24/00/12/582240012.db2.gz PVIHYKQPUUCFCK-UHFFFAOYSA-N 0 3 295.303 -1.752 20 0 CAADHN CCOC(=O)[C@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC000858421457 582240021 /nfs/dbraw/zinc/24/00/21/582240021.db2.gz YFXOOSFSNYJHGS-ZCFIWIBFSA-N 0 3 268.277 -1.196 20 0 CAADHN CCNS(=O)(=O)CCNc1nc(N)nc(N)n1 ZINC000858405048 582240065 /nfs/dbraw/zinc/24/00/65/582240065.db2.gz RELYAJNZOCNVLI-UHFFFAOYSA-N 0 3 261.311 -1.613 20 0 CAADHN O=C1NC[C@@H]2CN(c3ccnc(CO)c3)CCN2C1=O ZINC000858438543 582240072 /nfs/dbraw/zinc/24/00/72/582240072.db2.gz BSPLHHZRAAMOJI-LLVKDONJSA-N 0 3 276.296 -1.279 20 0 CAADHN Nc1nc(N)nc(N2CCN3C(=O)OC[C@@H]3C2)n1 ZINC000858448162 582240213 /nfs/dbraw/zinc/24/02/13/582240213.db2.gz ZPGRSJCIAZQGGN-YFKPBYRVSA-N 0 3 251.250 -1.323 20 0 CAADHN CN1CC2(CN(c3nc(N)nc(N)n3)C2)OC1=O ZINC000858574623 582240218 /nfs/dbraw/zinc/24/02/18/582240218.db2.gz UUGBRNZXCLXYRN-UHFFFAOYSA-N 0 3 251.250 -1.323 20 0 CAADHN CCN(CCS(C)(=O)=O)c1nc(N)nc(N)n1 ZINC000858457926 582240220 /nfs/dbraw/zinc/24/02/20/582240220.db2.gz WAVKUKJJXWQSFW-UHFFFAOYSA-N 0 3 260.323 -1.093 20 0 CAADHN NC(=O)[C@](O)(CN1C[C@H](O)[C@@H](O)C1)c1ccccc1 ZINC000859454850 582241327 /nfs/dbraw/zinc/24/13/27/582241327.db2.gz OCLAMYAGLYUSKM-GVXVVHGQSA-N 0 3 266.297 -1.603 20 0 CAADHN NC(=O)[C@@](O)(CN1C[C@H](O)[C@@H](O)C1)c1ccccc1 ZINC000859454849 582241402 /nfs/dbraw/zinc/24/14/02/582241402.db2.gz OCLAMYAGLYUSKM-GMXVVIOVSA-N 0 3 266.297 -1.603 20 0 CAADHN CN1CCC(O)(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC000859744715 582241716 /nfs/dbraw/zinc/24/17/16/582241716.db2.gz HEUZBXISMGJLDS-QMMMGPOBSA-N 0 3 257.290 -1.332 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)NC[C@@H]1CNCCO1 ZINC000861645292 582244313 /nfs/dbraw/zinc/24/43/13/582244313.db2.gz ANRBKKYIAQIGGC-IUCAKERBSA-N 0 3 274.321 -1.318 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)NC[C@@H]1CNCCO1 ZINC000861645289 582244335 /nfs/dbraw/zinc/24/43/35/582244335.db2.gz ANRBKKYIAQIGGC-BDAKNGLRSA-N 0 3 274.321 -1.318 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N(C)C[C@@H](C)N ZINC000861649149 582244383 /nfs/dbraw/zinc/24/43/83/582244383.db2.gz DBCJPJCDIVHCDW-HRDYMLBCSA-N 0 3 279.362 -1.213 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)N1CCN(C)C[C@H]1CN ZINC000861698311 582244491 /nfs/dbraw/zinc/24/44/91/582244491.db2.gz CLGAGHRMPMGVOQ-VHSXEESVSA-N 0 3 287.364 -1.321 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)N1CCOC2(CNC2)C1 ZINC000861698733 582244511 /nfs/dbraw/zinc/24/45/11/582244511.db2.gz HUTSASLEMIBGLY-SECBINFHSA-N 0 3 286.332 -1.222 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)N1CCN(C)C[C@H]1CN ZINC000861698592 582244534 /nfs/dbraw/zinc/24/45/34/582244534.db2.gz CLGAGHRMPMGVOQ-NXEZZACHSA-N 0 3 287.364 -1.321 20 0 CAADHN O=C([C@@H]1COC(=O)N1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000861716523 582244552 /nfs/dbraw/zinc/24/45/52/582244552.db2.gz ROQNLKYPFQBDLZ-BBBLOLIVSA-N 0 3 269.301 -1.238 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000861778796 582245078 /nfs/dbraw/zinc/24/50/78/582245078.db2.gz DDSDSPSFVFSFJI-VIFPVBQESA-N 0 3 293.331 -2.016 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)NC[C@H]1COCCN1C ZINC000861779349 582245133 /nfs/dbraw/zinc/24/51/33/582245133.db2.gz UBBDEJVAAWZSGD-IUCAKERBSA-N 0 3 258.322 -2.103 20 0 CAADHN CCn1ncc(CNC(=O)C(=O)N2CCCNCC2)n1 ZINC000861788684 582245239 /nfs/dbraw/zinc/24/52/39/582245239.db2.gz IYUYTXNCNHKCCB-UHFFFAOYSA-N 0 3 280.332 -1.264 20 0 CAADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000861807928 582245284 /nfs/dbraw/zinc/24/52/84/582245284.db2.gz JZWVFABFAUWIIC-MNOVXSKESA-N 0 3 285.344 -1.550 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@H]2COCO2)CC1=O ZINC000861973055 582246028 /nfs/dbraw/zinc/24/60/28/582246028.db2.gz YYZOMJOWNCENGY-MNOVXSKESA-N 0 3 285.344 -1.114 20 0 CAADHN C=CC(=O)N(C)CC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000862122068 582246186 /nfs/dbraw/zinc/24/61/86/582246186.db2.gz UNXPAXWMPRXQJF-UHFFFAOYSA-N 0 3 296.371 -1.137 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NN2CCOC2=O)CC1=O ZINC000862700205 582247132 /nfs/dbraw/zinc/24/71/32/582247132.db2.gz OOUGKNCBHORLMR-VIFPVBQESA-N 0 3 284.316 -1.120 20 0 CAADHN CN(C)CCNC(=S)N1CC(NS(C)(=O)=O)C1 ZINC000863221041 582248204 /nfs/dbraw/zinc/24/82/04/582248204.db2.gz WXWCRLAWORHDPH-UHFFFAOYSA-N 0 3 280.419 -1.344 20 0 CAADHN CN(C)CCNC(=S)N1CCO[C@@H](CC(N)=O)C1 ZINC000863240549 582248230 /nfs/dbraw/zinc/24/82/30/582248230.db2.gz YOGYQZFMHBWUAD-VIFPVBQESA-N 0 3 274.390 -1.001 20 0 CAADHN O=C(CCN1CCOCC1)NCCN1CC[C@@H](O)C1 ZINC000863323717 582248574 /nfs/dbraw/zinc/24/85/74/582248574.db2.gz SCICBNNDPBUTTR-GFCCVEGCSA-N 0 3 271.361 -1.109 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1Cc1cnn(C)n1 ZINC000863329139 582248632 /nfs/dbraw/zinc/24/86/32/582248632.db2.gz KYADCBGTENSHDY-LURJTMIESA-N 0 3 259.291 -1.278 20 0 CAADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@H]1COCCN1 ZINC000863545320 582248979 /nfs/dbraw/zinc/24/89/79/582248979.db2.gz OQAWXQVAJWTQLY-GARJFASQSA-N 0 3 257.334 -1.142 20 0 CAADHN CCOC(=O)[C@@H]1NCC[C@H]1NC[C@H]1COCCN1 ZINC000863545322 582249014 /nfs/dbraw/zinc/24/90/14/582249014.db2.gz OQAWXQVAJWTQLY-HBNTYKKESA-N 0 3 257.334 -1.142 20 0 CAADHN CCOC(=O)[C@H]1NCC[C@H]1NCCN1CC[C@@H](O)C1 ZINC000863547360 582249188 /nfs/dbraw/zinc/24/91/88/582249188.db2.gz JUJCSIAWNHIZHP-UTUOFQBUSA-N 0 3 271.361 -1.064 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H]1C[C@@H]1N ZINC000863583348 582249222 /nfs/dbraw/zinc/24/92/22/582249222.db2.gz UKJDWGRSCHPHEU-AXFHLTTASA-N 0 3 257.334 -1.515 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@]1(F)CCNC1 ZINC000863583465 582249355 /nfs/dbraw/zinc/24/93/55/582249355.db2.gz XQEPBIVUSRPIPU-WCQYABFASA-N 0 3 289.351 -1.161 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000863629312 582249410 /nfs/dbraw/zinc/24/94/10/582249410.db2.gz KUCLTOYDVVCIQR-QWRGUYRKSA-N 0 3 284.360 -1.099 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCC2(C1)OCCO2 ZINC000863754994 582249798 /nfs/dbraw/zinc/24/97/98/582249798.db2.gz SNQKNWQEWBHQBB-UHFFFAOYSA-N 0 3 271.317 -1.231 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC(=O)N(C)C[C@H]1C ZINC000863760852 582249969 /nfs/dbraw/zinc/24/99/69/582249969.db2.gz CFFFELGHFQOVRJ-SECBINFHSA-N 0 3 270.333 -1.517 20 0 CAADHN CN1C[C@H](O)C[C@]1(C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864059916 582250693 /nfs/dbraw/zinc/25/06/93/582250693.db2.gz UDRFNWRAGDGYOI-FMCLSXCISA-N 0 3 283.372 -1.281 20 0 CAADHN CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864059919 582250790 /nfs/dbraw/zinc/25/07/90/582250790.db2.gz UDRFNWRAGDGYOI-SFTQSGBHSA-N 0 3 283.372 -1.281 20 0 CAADHN C[C@@H](O)[C@H](O)CNC(=O)C1CN(C2CCOCC2)C1 ZINC000864075530 582251238 /nfs/dbraw/zinc/25/12/38/582251238.db2.gz UQASXJSWRDIQKR-BXKDBHETSA-N 0 3 272.345 -1.045 20 0 CAADHN CN1C(=O)[C@H]2CN([C@H]3CC(=O)N(C4CC4)C3=O)C[C@H]2C1=O ZINC000864350787 582252222 /nfs/dbraw/zinc/25/22/22/582252222.db2.gz JFKOSNWZSPTFJI-AEJSXWLSSA-N 0 3 291.307 -1.177 20 0 CAADHN CN1C(=O)C[C@@H](N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000864350395 582252283 /nfs/dbraw/zinc/25/22/83/582252283.db2.gz DGRMJJDIXZSMKE-GJMOJQLCSA-N 0 3 265.269 -1.710 20 0 CAADHN O=C1C[C@H](N2C[C@@H]3COC(=O)[C@@H]3C2)C(=O)N1CCCO ZINC000864350490 582252317 /nfs/dbraw/zinc/25/23/17/582252317.db2.gz IKRWTRGVRARMQS-BBBLOLIVSA-N 0 3 282.296 -1.399 20 0 CAADHN COCCN1C(=O)C[C@@H](N2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000864352051 582252322 /nfs/dbraw/zinc/25/23/22/582252322.db2.gz XEAASPCUFLBUJG-OPRDCNLKSA-N 0 3 282.296 -1.135 20 0 CAADHN CN(C)CC(=O)N1CCN(C(=O)[C@@H](O)c2c[nH]cn2)CC1 ZINC000864838135 582252595 /nfs/dbraw/zinc/25/25/95/582252595.db2.gz XIVITDLVTJGYTJ-LBPRGKRZSA-N 0 3 295.343 -1.325 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2nccc(N)n2)CC1=O ZINC000866015331 582253365 /nfs/dbraw/zinc/25/33/65/582253365.db2.gz MVJXHTDONUDEPK-UHFFFAOYSA-N 0 3 292.343 -1.265 20 0 CAADHN CN1C(=O)[C@H]2CN(C[C@@H]3CNCCO3)C[C@H]2C1=O ZINC000866701455 582253885 /nfs/dbraw/zinc/25/38/85/582253885.db2.gz JVGIJTCSXMONBS-LPEHRKFASA-N 0 3 253.302 -1.479 20 0 CAADHN CN1C(=O)[C@H]2CN(C[C@H]3CNCCO3)C[C@H]2C1=O ZINC000866701454 582253893 /nfs/dbraw/zinc/25/38/93/582253893.db2.gz JVGIJTCSXMONBS-BBBLOLIVSA-N 0 3 253.302 -1.479 20 0 CAADHN Cn1nnnc1CCN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000866659058 582253931 /nfs/dbraw/zinc/25/39/31/582253931.db2.gz CELOSEMWDDXGFE-LLVKDONJSA-N 0 3 293.375 -1.351 20 0 CAADHN CN(C)CCn1cc(C(=O)NCCn2cnnn2)cn1 ZINC000866604062 582253995 /nfs/dbraw/zinc/25/39/95/582253995.db2.gz HLYURQJOKMVXJW-UHFFFAOYSA-N 0 3 278.320 -1.139 20 0 CAADHN O=C1NCCO[C@@H]2CCCN(C[C@@H]3CNCCO3)[C@H]12 ZINC000866718154 582254189 /nfs/dbraw/zinc/25/41/89/582254189.db2.gz YAEOUYMQTXDLDQ-TUAOUCFPSA-N 0 3 269.345 -1.046 20 0 CAADHN O=C1NCCO[C@@H]2CCCN(C[C@H]3CNCCO3)[C@@H]12 ZINC000866718150 582254193 /nfs/dbraw/zinc/25/41/93/582254193.db2.gz YAEOUYMQTXDLDQ-IJLUTSLNSA-N 0 3 269.345 -1.046 20 0 CAADHN CN(C)CCCS(=O)(=O)NCCn1cnnn1 ZINC000867455480 582254340 /nfs/dbraw/zinc/25/43/40/582254340.db2.gz IYYCEVBONPCMMP-UHFFFAOYSA-N 0 3 262.339 -1.456 20 0 CAADHN O=S(=O)(C[C@H]1CNCCO1)[N-][C@H]1C[NH2+]CCC1(F)F ZINC000866770457 582254388 /nfs/dbraw/zinc/25/43/88/582254388.db2.gz ZHDWWPXTZNIRGW-BDAKNGLRSA-N 0 3 299.343 -1.109 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCNC(=O)C2)CCC1(C)C ZINC000867743826 582254762 /nfs/dbraw/zinc/25/47/62/582254762.db2.gz ZELVXTGCALABLW-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CCNCC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000867996629 582255444 /nfs/dbraw/zinc/25/54/44/582255444.db2.gz IDYJMWGBWLFVDY-LBPRGKRZSA-N 0 3 271.317 -1.660 20 0 CAADHN CC(C)NCC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000867996807 582255458 /nfs/dbraw/zinc/25/54/58/582255458.db2.gz MDFRTFLTYHMVSX-CYBMUJFWSA-N 0 3 285.344 -1.272 20 0 CAADHN CC1(C)CN[C@@H]1C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000867996506 582255512 /nfs/dbraw/zinc/25/55/12/582255512.db2.gz DWGZGKNFLYIZOE-BXUZGUMPSA-N 0 3 297.355 -1.272 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000867996587 582255578 /nfs/dbraw/zinc/25/55/78/582255578.db2.gz HDMDGPVUMUMFHB-SBMIAAHKSA-N 0 3 269.301 -1.922 20 0 CAADHN CNCC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000867998648 582255587 /nfs/dbraw/zinc/25/55/87/582255587.db2.gz YVFVOKRLHKSCPA-NSHDSACASA-N 0 3 257.290 -2.050 20 0 CAADHN CNCC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000867998644 582255707 /nfs/dbraw/zinc/25/57/07/582255707.db2.gz YVFVOKRLHKSCPA-LLVKDONJSA-N 0 3 257.290 -2.050 20 0 CAADHN C[C@H](N)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000867998181 582255711 /nfs/dbraw/zinc/25/57/11/582255711.db2.gz RIYCDFLSBQZDDO-GZMMTYOYSA-N 0 3 257.290 -1.922 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)/C=C/CN1CCOCC1 ZINC000868345370 582256215 /nfs/dbraw/zinc/25/62/15/582256215.db2.gz HCFRFXGEMOMUAF-AAOUONPWSA-N 0 3 271.361 -1.087 20 0 CAADHN C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CCO1 ZINC000868413510 582256385 /nfs/dbraw/zinc/25/63/85/582256385.db2.gz LFLGFPGJBQDWGU-UTUOFQBUSA-N 0 3 299.371 -1.066 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)C[C@H](CO)O1 ZINC000868413060 582256429 /nfs/dbraw/zinc/25/64/29/582256429.db2.gz DQDMLTMFLFHZSK-QJPTWQEYSA-N 0 3 299.371 -1.066 20 0 CAADHN CN(CCOCCO)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000868414260 582256436 /nfs/dbraw/zinc/25/64/36/582256436.db2.gz YLKSTYDDOATWOH-LLVKDONJSA-N 0 3 287.360 -1.207 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCOC2=O)CC1=O ZINC000869093774 582256969 /nfs/dbraw/zinc/25/69/69/582256969.db2.gz OQITWWZBZHOYJQ-ZJUUUORDSA-N 0 3 283.328 -1.172 20 0 CAADHN O=C(N[C@H]1CCOC1=O)[C@H]1CN2CCN1CCC2 ZINC000869094398 582256992 /nfs/dbraw/zinc/25/69/92/582256992.db2.gz MKJKIHNAOBNMKH-VHSXEESVSA-N 0 3 253.302 -1.192 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCOC2=O)CC1=O ZINC000869093769 582257003 /nfs/dbraw/zinc/25/70/03/582257003.db2.gz OQITWWZBZHOYJQ-UWVGGRQHSA-N 0 3 283.328 -1.172 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H](O)c1cnc[nH]1 ZINC000869260807 582257078 /nfs/dbraw/zinc/25/70/78/582257078.db2.gz LTQONIIILLNBKJ-GFCCVEGCSA-N 0 3 297.359 -1.079 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H](O)c1c[nH]cn1 ZINC000869260807 582257079 /nfs/dbraw/zinc/25/70/79/582257079.db2.gz LTQONIIILLNBKJ-GFCCVEGCSA-N 0 3 297.359 -1.079 20 0 CAADHN C[C@H](CNS(C)(=O)=O)OC(=O)C1CCN(C)C1=O ZINC000870613864 582257409 /nfs/dbraw/zinc/25/74/09/582257409.db2.gz XTAGOTRMYXIPES-SFYZADRCSA-N 0 3 278.330 -1.054 20 0 CAADHN CC(C)(N)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000870977049 582257577 /nfs/dbraw/zinc/25/75/77/582257577.db2.gz AGBYVDZWYIFPFL-LBPRGKRZSA-N 0 3 271.317 -1.532 20 0 CAADHN CC(C)[C@H](N)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000870977125 582257580 /nfs/dbraw/zinc/25/75/80/582257580.db2.gz CCANVWNAOLOQFH-WCQYABFASA-N 0 3 285.344 -1.286 20 0 CAADHN CN1CCN(C(=O)CN2CCCCC(=O)C2=O)[C@@H](CN)C1 ZINC000870938900 582257586 /nfs/dbraw/zinc/25/75/86/582257586.db2.gz WDKMWAGHIMAHJW-NSHDSACASA-N 0 3 296.371 -1.331 20 0 CAADHN C[C@H](NC1CC1)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000870977059 582257588 /nfs/dbraw/zinc/25/75/88/582257588.db2.gz AOEQTEFSWRYNNH-HZMBPMFUSA-N 0 3 297.355 -1.129 20 0 CAADHN N[C@H](C(=O)NC[C@@]12COCCN1C(=O)COC2)C1CCC1 ZINC000870977289 582257598 /nfs/dbraw/zinc/25/75/98/582257598.db2.gz DZZHLUGONBLCLX-JSGCOSHPSA-N 0 3 297.355 -1.142 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)[C@@]3(F)CCNC3)C[C@H]2C1=O ZINC000870960569 582257601 /nfs/dbraw/zinc/25/76/01/582257601.db2.gz GDCHYYONXOTYPT-RGNHYFCHSA-N 0 3 269.276 -1.239 20 0 CAADHN NC[C@@H]1CN(C(=O)CN2CCCCC(=O)C2=O)CCO1 ZINC000870939924 582257650 /nfs/dbraw/zinc/25/76/50/582257650.db2.gz DCBOKZZHDWYJOF-SNVBAGLBSA-N 0 3 283.328 -1.246 20 0 CAADHN CC[C@H](N)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000870977860 582257814 /nfs/dbraw/zinc/25/78/14/582257814.db2.gz MFBPYWHJYAIULA-JOYOIKCWSA-N 0 3 271.317 -1.532 20 0 CAADHN CC[C@H](N)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000870977859 582257828 /nfs/dbraw/zinc/25/78/28/582257828.db2.gz MFBPYWHJYAIULA-CABZTGNLSA-N 0 3 271.317 -1.532 20 0 CAADHN C[C@H](O)[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000871134166 582257996 /nfs/dbraw/zinc/25/79/96/582257996.db2.gz YVFDCZGATHSNFA-HBNTYKKESA-N 0 3 287.360 -1.746 20 0 CAADHN CN(C)CC(=O)NC[C@H]1CN(C(=O)CN(C)C)CCO1 ZINC000871462414 582258418 /nfs/dbraw/zinc/25/84/18/582258418.db2.gz RMXLICDLPVCJEV-NSHDSACASA-N 0 3 286.376 -1.547 20 0 CAADHN CN(C)CCNC(=S)N1CC(=O)NCC12COC2 ZINC000871690562 582258653 /nfs/dbraw/zinc/25/86/53/582258653.db2.gz AXDWTUAIYQJRMV-UHFFFAOYSA-N 0 3 272.374 -1.377 20 0 CAADHN CC(C)(O)C[C@@H](O)CNCCN1CCNC(=O)C1 ZINC000872205453 582258805 /nfs/dbraw/zinc/25/88/05/582258805.db2.gz HEKJWADEPPHNOP-SNVBAGLBSA-N 0 3 259.350 -1.470 20 0 CAADHN CC(C)(O)C[C@H](O)CNCCN1CCNC(=O)C1 ZINC000872205452 582258828 /nfs/dbraw/zinc/25/88/28/582258828.db2.gz HEKJWADEPPHNOP-JTQLQIEISA-N 0 3 259.350 -1.470 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@H](O)CC(C)(C)O ZINC000872209326 582259000 /nfs/dbraw/zinc/25/90/00/582259000.db2.gz ZYBIPIQWGBEXFV-SECBINFHSA-N 0 3 268.379 -1.011 20 0 CAADHN CN(C)S(=O)(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC000872615530 582259180 /nfs/dbraw/zinc/25/91/80/582259180.db2.gz FMBNRQWTWOYGGX-VHSXEESVSA-N 0 3 263.363 -1.066 20 0 CAADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCCS(=O)(=O)NC ZINC000873241832 582259726 /nfs/dbraw/zinc/25/97/26/582259726.db2.gz GIRUFIQGIIDCGV-VHSXEESVSA-N 0 3 293.389 -1.191 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@H]2[C@H]1CCCN2C ZINC000874827122 582260345 /nfs/dbraw/zinc/26/03/45/582260345.db2.gz BWGFBJCSRZITPI-VHSXEESVSA-N 0 3 290.389 -1.265 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCCN2C ZINC000874827121 582260350 /nfs/dbraw/zinc/26/03/50/582260350.db2.gz BWGFBJCSRZITPI-UWVGGRQHSA-N 0 3 290.389 -1.265 20 0 CAADHN CN(CCS(N)(=O)=O)C(=O)[C@H]1CN2CCN1CCC2 ZINC000874600607 582260370 /nfs/dbraw/zinc/26/03/70/582260370.db2.gz ULWJGWPFGSNFKP-SNVBAGLBSA-N 0 3 290.389 -1.877 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@@H]1CCCN2C ZINC000874827123 582260481 /nfs/dbraw/zinc/26/04/81/582260481.db2.gz BWGFBJCSRZITPI-ZJUUUORDSA-N 0 3 290.389 -1.265 20 0 CAADHN COC(=O)C1(O)CN(C(=O)NCCOCCN(C)C)C1 ZINC000875524457 582261376 /nfs/dbraw/zinc/26/13/76/582261376.db2.gz WNAIUPGWVUGNIH-UHFFFAOYSA-N 0 3 289.332 -1.506 20 0 CAADHN COC(=O)C1(O)CN(C(=O)NC[C@H](C)N(C)C)C1 ZINC000875645354 582261758 /nfs/dbraw/zinc/26/17/58/582261758.db2.gz VOCNREQYULVNAG-QMMMGPOBSA-N 0 3 259.306 -1.134 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000875909629 582262144 /nfs/dbraw/zinc/26/21/44/582262144.db2.gz NPKQGNCSIJIJDZ-BXKDBHETSA-N 0 3 288.348 -1.240 20 0 CAADHN COC[C@@]1(C(=O)N2CCN[C@@H](C)C2)CNCCO1 ZINC000876531455 582262603 /nfs/dbraw/zinc/26/26/03/582262603.db2.gz GRNKIQUFMJBBCE-CMPLNLGQSA-N 0 3 257.334 -1.188 20 0 CAADHN CN1CCN(C(=O)/C=C/CN2CCOCC2)[C@H](CN)C1 ZINC000876542024 582262651 /nfs/dbraw/zinc/26/26/51/582262651.db2.gz JOHBSTLUSCEUBA-YWVDXFKGSA-N 0 3 282.388 -1.024 20 0 CAADHN CCN[C@@H](C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000876635163 582262778 /nfs/dbraw/zinc/26/27/78/582262778.db2.gz OAIRHKSXGHRWLG-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN COC(=O)CSCCNC(=O)[C@@H](N)CN(C)C ZINC000876650532 582262807 /nfs/dbraw/zinc/26/28/07/582262807.db2.gz FMDGMUFSXSYAIT-QMMMGPOBSA-N 0 3 263.363 -1.102 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876660480 582262887 /nfs/dbraw/zinc/26/28/87/582262887.db2.gz DXXKECXKHSFNBQ-ZJUUUORDSA-N 0 3 292.405 -1.585 20 0 CAADHN CC[C@@H](NC(=O)[C@@H](N)CN(C)C)C(=O)N1CCOCC1 ZINC000876691158 582262890 /nfs/dbraw/zinc/26/28/90/582262890.db2.gz CIOATYGYYCRCHF-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN COC[C@](C)(CC(=O)OC)NC(=O)[C@@H](N)CN(C)C ZINC000876701146 582262918 /nfs/dbraw/zinc/26/29/18/582262918.db2.gz NZLZCIIEQQAOJD-CABZTGNLSA-N 0 3 275.349 -1.040 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000876693113 582262961 /nfs/dbraw/zinc/26/29/61/582262961.db2.gz QEOQPVQHUVZCDQ-UWVGGRQHSA-N 0 3 256.350 -1.011 20 0 CAADHN CN(C)C[C@H](N)C(=O)NCc1cnc(N(C)C)n1C ZINC000876764258 582263061 /nfs/dbraw/zinc/26/30/61/582263061.db2.gz SJTVZJQYCNILRM-JTQLQIEISA-N 0 3 268.365 -1.009 20 0 CAADHN C[C@@H](CNC(=O)[C@@H](N)CN(C)C)CN1CCOCC1 ZINC000876747233 582263068 /nfs/dbraw/zinc/26/30/68/582263068.db2.gz YQLNBJGPLPKDLF-RYUDHWBXSA-N 0 3 272.393 -1.040 20 0 CAADHN CCN1C(=O)[C@H]2CN(C(=O)[C@@H](N)CN(C)C)CCN2C1=O ZINC000876701954 582263070 /nfs/dbraw/zinc/26/30/70/582263070.db2.gz GQUIGAXRCBPSNS-VHSXEESVSA-N 0 3 297.359 -1.630 20 0 CAADHN CCN(CC(=O)NC)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126122871 582263113 /nfs/dbraw/zinc/26/31/13/582263113.db2.gz LJAWUKXADBVCFX-NSHDSACASA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@@H]1CN(CCNC(=O)[C@@H](N)CN(C)C)CCO1 ZINC000876746095 582263123 /nfs/dbraw/zinc/26/31/23/582263123.db2.gz IYTLLLWZFFPEAG-MNOVXSKESA-N 0 3 258.366 -1.288 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000876753085 582263193 /nfs/dbraw/zinc/26/31/93/582263193.db2.gz IFKWVYZZDHSXST-AVGNSLFASA-N 0 3 284.404 -1.067 20 0 CAADHN COC[C@@]1(C(=O)NCC(F)(F)CN)CNCCO1 ZINC000876809044 582263262 /nfs/dbraw/zinc/26/32/62/582263262.db2.gz QBGQYXFBADVURE-SECBINFHSA-N 0 3 267.276 -1.298 20 0 CAADHN O=C(CN1CCNCC1)N1CCNC[C@H]1C(F)F ZINC000876854938 582263396 /nfs/dbraw/zinc/26/33/96/582263396.db2.gz XQNAYKBMGFZBPQ-VIFPVBQESA-N 0 3 262.304 -1.043 20 0 CAADHN Nc1ncn(CC(=O)N[C@H]2CNCCC2(F)F)n1 ZINC000876865448 582263435 /nfs/dbraw/zinc/26/34/35/582263435.db2.gz AZJYZLINOXTRFR-LURJTMIESA-N 0 3 260.248 -1.026 20 0 CAADHN COC[C@@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CNCCO1 ZINC000876855842 582263448 /nfs/dbraw/zinc/26/34/48/582263448.db2.gz DJMAXKXSKIJMFT-JBLDHEPKSA-N 0 3 275.324 -1.192 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)[C@@H](N)CN(C)C ZINC000876847384 582263464 /nfs/dbraw/zinc/26/34/64/582263464.db2.gz JDFNHJAWHXTLPH-VHSXEESVSA-N 0 3 272.349 -1.761 20 0 CAADHN C[C@H](C(=O)N[C@H]1CNCCC1(F)F)N1CCNCC1=O ZINC000876865267 582263480 /nfs/dbraw/zinc/26/34/80/582263480.db2.gz WUDJSWRNRVLOHQ-BDAKNGLRSA-N 0 3 290.314 -1.080 20 0 CAADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876899291 582263590 /nfs/dbraw/zinc/26/35/90/582263590.db2.gz HXAYHBYZHUDBIF-ZJUUUORDSA-N 0 3 292.405 -1.585 20 0 CAADHN CN(C)C[C@H](N)C(=O)N(C)CCNC(=O)N(C)C ZINC000876899973 582263597 /nfs/dbraw/zinc/26/35/97/582263597.db2.gz CGBFDHWEELWRFH-VIFPVBQESA-N 0 3 259.354 -1.395 20 0 CAADHN CCNC(=O)CN1CCCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000876875454 582263612 /nfs/dbraw/zinc/26/36/12/582263612.db2.gz VUBVKPCGDZGPOJ-LBPRGKRZSA-N 0 3 299.419 -1.454 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000876878739 582263627 /nfs/dbraw/zinc/26/36/27/582263627.db2.gz JVBOQSLXXCYHLH-LBPRGKRZSA-N 0 3 294.403 -1.047 20 0 CAADHN CS(=O)(=O)CCN(C(=O)CN1CCNCC1)C1CC1 ZINC000876891750 582263642 /nfs/dbraw/zinc/26/36/42/582263642.db2.gz FHEAYMGOQZMTGD-UHFFFAOYSA-N 0 3 289.401 -1.073 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)C[C@H](C)O1 ZINC000876948497 582263698 /nfs/dbraw/zinc/26/36/98/582263698.db2.gz NBEJRSAAIGQBHR-GUBZILKMSA-N 0 3 273.333 -1.336 20 0 CAADHN COC[C@]1(C(=O)NC[C@H]2CNCCO2)CNCCO1 ZINC000876917893 582263755 /nfs/dbraw/zinc/26/37/55/582263755.db2.gz XKUNDHSHNCEUKQ-PWSUYJOCSA-N 0 3 273.333 -1.904 20 0 CAADHN C[C@H]1CN(C(=O)[C@@H](N)CN(C)C)CCN1S(C)(=O)=O ZINC000876905393 582263758 /nfs/dbraw/zinc/26/37/58/582263758.db2.gz SVHWRMBWNDUISD-UWVGGRQHSA-N 0 3 292.405 -1.632 20 0 CAADHN CN(C)c1noc(CNC(=O)CN2CCNCC2)n1 ZINC000876908993 582263810 /nfs/dbraw/zinc/26/38/10/582263810.db2.gz VKWFMHCULFFCLQ-UHFFFAOYSA-N 0 3 268.321 -1.343 20 0 CAADHN O=C(CN1CCNCC1)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000876954020 582263852 /nfs/dbraw/zinc/26/38/52/582263852.db2.gz AXELMKIZGZMUIL-LLVKDONJSA-N 0 3 282.344 -1.009 20 0 CAADHN O=C(CN1CCOC1=O)N1CCOC2(CNC2)C1 ZINC000876984714 582263917 /nfs/dbraw/zinc/26/39/17/582263917.db2.gz MBORYISWGGSXSH-UHFFFAOYSA-N 0 3 255.274 -1.361 20 0 CAADHN COC[C@@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CNCCO1 ZINC000876979144 582263934 /nfs/dbraw/zinc/26/39/34/582263934.db2.gz VNTQNIOHNGDGNF-CKYFFXLPSA-N 0 3 275.324 -1.111 20 0 CAADHN CN(C)C[C@H](N)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000876954266 582263949 /nfs/dbraw/zinc/26/39/49/582263949.db2.gz FJVNGVNHXHBUQY-ZJUUUORDSA-N 0 3 270.333 -1.025 20 0 CAADHN CNC(=O)NC[C@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000877000097 582264034 /nfs/dbraw/zinc/26/40/34/582264034.db2.gz KJWXPGRUAWLGQP-JOYOIKCWSA-N 0 3 288.323 -1.156 20 0 CAADHN COC[C@@]1(C(=O)NC[C@@H]2COCCN2)CNCCO1 ZINC000877038704 582264055 /nfs/dbraw/zinc/26/40/55/582264055.db2.gz WLTMTTJIXHFMBM-ZYHUDNBSSA-N 0 3 273.333 -1.904 20 0 CAADHN COC[C@]1(C(=O)NC[C@H]2COCCN2)CNCCO1 ZINC000877038702 582264061 /nfs/dbraw/zinc/26/40/61/582264061.db2.gz WLTMTTJIXHFMBM-JQWIXIFHSA-N 0 3 273.333 -1.904 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@@H](N)CN(C)C)C[C@@H](C)O1 ZINC000877027355 582264086 /nfs/dbraw/zinc/26/40/86/582264086.db2.gz NBEJRSAAIGQBHR-UTLUCORTSA-N 0 3 273.333 -1.336 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C1=NO[C@@H](CN)C1 ZINC000877035207 582264109 /nfs/dbraw/zinc/26/41/09/582264109.db2.gz VJKVNXVWBJPRJH-DTWKUNHWSA-N 0 3 256.306 -1.463 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)COC1(C)CNC1 ZINC000877091414 582264271 /nfs/dbraw/zinc/26/42/71/582264271.db2.gz HUALWVJSSQJJAT-QMMMGPOBSA-N 0 3 259.306 -1.111 20 0 CAADHN CCNCC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000877087589 582264312 /nfs/dbraw/zinc/26/43/12/582264312.db2.gz MUZQTUGFCCOSPN-VIFPVBQESA-N 0 3 279.362 -1.628 20 0 CAADHN CC1(OCC(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)CNC1 ZINC000877113990 582264405 /nfs/dbraw/zinc/26/44/05/582264405.db2.gz JKCOQWXMHXAJKN-RKDXNWHRSA-N 0 3 254.286 -1.004 20 0 CAADHN NC[C@@H]1CC(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)=NO1 ZINC000877114132 582264434 /nfs/dbraw/zinc/26/44/34/582264434.db2.gz LKWZECPCERBVRE-GJMOJQLCSA-N 0 3 253.258 -1.279 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)CCOC1CNC1 ZINC000877108620 582264460 /nfs/dbraw/zinc/26/44/60/582264460.db2.gz QZIXBJHJVAORQI-MRVPVSSYSA-N 0 3 259.306 -1.111 20 0 CAADHN CCN1CC[C@H](NC(=O)C2=NO[C@@H](CN)C2)C1=O ZINC000877130694 582264518 /nfs/dbraw/zinc/26/45/18/582264518.db2.gz ZMHBCWYCHFGNOE-SFYZADRCSA-N 0 3 254.290 -1.173 20 0 CAADHN CCN1CC[C@H](NC(=O)C2=NO[C@H](CN)C2)C1=O ZINC000877130695 582264531 /nfs/dbraw/zinc/26/45/31/582264531.db2.gz ZMHBCWYCHFGNOE-YUMQZZPRSA-N 0 3 254.290 -1.173 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000877143143 582264550 /nfs/dbraw/zinc/26/45/50/582264550.db2.gz FWDHEZUHFSJNCZ-HJIKLVIJSA-N 0 3 282.344 -1.614 20 0 CAADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@]1(F)CCNC1 ZINC000877160210 582264568 /nfs/dbraw/zinc/26/45/68/582264568.db2.gz HYSVHDQVMJLVIT-UBJUHAIHSA-N 0 3 289.307 -1.130 20 0 CAADHN CCN1CC[C@@H](NC(=O)C2=NO[C@H](CN)C2)C1=O ZINC000877130693 582264593 /nfs/dbraw/zinc/26/45/93/582264593.db2.gz ZMHBCWYCHFGNOE-JGVFFNPUSA-N 0 3 254.290 -1.173 20 0 CAADHN CNC(=O)NC[C@@H]1COCCN1C(=O)[C@]1(F)CCNC1 ZINC000877221149 582264675 /nfs/dbraw/zinc/26/46/75/582264675.db2.gz NSWGYDMTUFMHCB-SKDRFNHKSA-N 0 3 288.323 -1.156 20 0 CAADHN CCNCC(=O)N1CCOC[C@H]1CNC(=O)NC ZINC000877221689 582264679 /nfs/dbraw/zinc/26/46/79/582264679.db2.gz RCSOWDHRKRGCLR-SECBINFHSA-N 0 3 258.322 -1.248 20 0 CAADHN CNC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](N)CN(C)C ZINC000877220250 582264685 /nfs/dbraw/zinc/26/46/85/582264685.db2.gz DRTFZCRZBVFEDM-ZJUUUORDSA-N 0 3 287.364 -1.968 20 0 CAADHN CNC(=O)NC[C@H]1COCCN1C(=O)[C@]1(F)CCNC1 ZINC000877221145 582264747 /nfs/dbraw/zinc/26/47/47/582264747.db2.gz NSWGYDMTUFMHCB-CABZTGNLSA-N 0 3 288.323 -1.156 20 0 CAADHN O=C(C[C@@H]1CNCCO1)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000877270126 582264798 /nfs/dbraw/zinc/26/47/98/582264798.db2.gz MRAIYYBAYNSLBJ-WZRBSPASSA-N 0 3 297.355 -1.129 20 0 CAADHN O=C(CN1CCNCC1)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000877269151 582264818 /nfs/dbraw/zinc/26/48/18/582264818.db2.gz DYBFNMVKIOXAKZ-WCQYABFASA-N 0 3 296.371 -1.602 20 0 CAADHN O=C(C[C@H]1CNCCO1)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000877270123 582264856 /nfs/dbraw/zinc/26/48/56/582264856.db2.gz MRAIYYBAYNSLBJ-DMDPSCGWSA-N 0 3 297.355 -1.129 20 0 CAADHN O=C(CN1CCNCC1)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000877269149 582264887 /nfs/dbraw/zinc/26/48/87/582264887.db2.gz DYBFNMVKIOXAKZ-AAEUAGOBSA-N 0 3 296.371 -1.602 20 0 CAADHN C[S@](=N)(=O)N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000877297793 582264930 /nfs/dbraw/zinc/26/49/30/582264930.db2.gz AIPHGGBXWCPDIV-LJQANCHMSA-N 0 3 289.405 -1.373 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000877271933 582264960 /nfs/dbraw/zinc/26/49/60/582264960.db2.gz YKZPXZOAQTXMQO-DCAQKATOSA-N 0 3 284.360 -1.619 20 0 CAADHN C[S@](=N)(=O)N1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000877298196 582264971 /nfs/dbraw/zinc/26/49/71/582264971.db2.gz BTWHHMVPKQXMBB-IDJBCLPUSA-N 0 3 276.362 -1.162 20 0 CAADHN C[S@@](=N)(=O)N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000877297792 582265006 /nfs/dbraw/zinc/26/50/06/582265006.db2.gz AIPHGGBXWCPDIV-IBGZPJMESA-N 0 3 289.405 -1.373 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000877299038 582265078 /nfs/dbraw/zinc/26/50/78/582265078.db2.gz JGQAPRLJICYOBD-NIVTXAMTSA-N 0 3 277.394 -1.389 20 0 CAADHN NCC(=O)NCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000877343950 582265165 /nfs/dbraw/zinc/26/51/65/582265165.db2.gz SGLWDQPALMNYIE-LBPRGKRZSA-N 0 3 276.340 -1.108 20 0 CAADHN COCCNCC(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC000877300199 582265189 /nfs/dbraw/zinc/26/51/89/582265189.db2.gz VFSPQHWXURFAGE-SFHVURJKSA-N 0 3 278.378 -1.042 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877394642 582265221 /nfs/dbraw/zinc/26/52/21/582265221.db2.gz WGULRWHKNRWUSL-PRHODGIISA-N 0 3 266.301 -1.061 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877394643 582265260 /nfs/dbraw/zinc/26/52/60/582265260.db2.gz WGULRWHKNRWUSL-QPUJVOFHSA-N 0 3 266.301 -1.061 20 0 CAADHN CN1CCC(NC(=O)CN2CCNC(=O)C2)CC1 ZINC000877906322 582265345 /nfs/dbraw/zinc/26/53/45/582265345.db2.gz OKXOGNCLLYZFAJ-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN O=C(CN1CCCC1)N1CCN(CCn2cnnn2)CC1 ZINC000878048550 582265533 /nfs/dbraw/zinc/26/55/33/582265533.db2.gz BVROFBXMRQRMAA-UHFFFAOYSA-N 0 3 293.375 -1.087 20 0 CAADHN CN(CCn1cnnn1)C[C@@H](O)CN1CCOCC1 ZINC000878178623 582265777 /nfs/dbraw/zinc/26/57/77/582265777.db2.gz IBYOLNZEHQOBFE-LLVKDONJSA-N 0 3 270.337 -1.702 20 0 CAADHN COCCN(C)CCCNC(=O)c1nnn(C)n1 ZINC000878221136 582265998 /nfs/dbraw/zinc/26/59/98/582265998.db2.gz CZPIXSVJSQBOAK-UHFFFAOYSA-N 0 3 256.310 -1.092 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(CCn2cnnn2)CC1 ZINC000878198916 582266020 /nfs/dbraw/zinc/26/60/20/582266020.db2.gz QNIGVLMBTYAYQC-LBPRGKRZSA-N 0 3 293.375 -1.089 20 0 CAADHN COC(=O)C[C@@]1(NCCn2cnnn2)CCOC1 ZINC000878438130 582266126 /nfs/dbraw/zinc/26/61/26/582266126.db2.gz XFOASFYAVQCSJE-JTQLQIEISA-N 0 3 255.278 -1.015 20 0 CAADHN CN(C)CCN1CCN(CCn2cnnn2)CC1=O ZINC000878802712 582266620 /nfs/dbraw/zinc/26/66/20/582266620.db2.gz OBVPFNSRKGGZTO-UHFFFAOYSA-N 0 3 267.337 -1.621 20 0 CAADHN CON(C)C(=O)CN1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879158446 582267191 /nfs/dbraw/zinc/26/71/91/582267191.db2.gz PIDGMAKLZOVELS-RYUDHWBXSA-N 0 3 269.301 -1.009 20 0 CAADHN CN1C(=O)[C@H]2CN(CCN3CCOCC3)C[C@H]2C1=O ZINC000879531393 582267424 /nfs/dbraw/zinc/26/74/24/582267424.db2.gz CZODQCBTNYLRAI-PHIMTYICSA-N 0 3 267.329 -1.135 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534002 582267587 /nfs/dbraw/zinc/26/75/87/582267587.db2.gz LFXVEXBICVAFIC-VYUIOLGVSA-N 0 3 284.312 -1.153 20 0 CAADHN CCOC(=O)[C@@](C)(O)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534001 582267598 /nfs/dbraw/zinc/26/75/98/582267598.db2.gz LFXVEXBICVAFIC-RWEMILLDSA-N 0 3 284.312 -1.153 20 0 CAADHN CN1C(=O)[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]2C1=O ZINC000879534707 582267610 /nfs/dbraw/zinc/26/76/10/582267610.db2.gz VAKKYOOOJVUNJT-GJMOJQLCSA-N 0 3 265.269 -1.662 20 0 CAADHN CN1C(=O)[C@H]2CN(C[C@H]3COCCO3)C[C@H]2C1=O ZINC000879535526 582267625 /nfs/dbraw/zinc/26/76/25/582267625.db2.gz OUZPQOQNTYNTJJ-LPEHRKFASA-N 0 3 254.286 -1.052 20 0 CAADHN CN1C(=O)[C@H]2CN(CCn3cnnn3)C[C@H]2C1=O ZINC000879536718 582267920 /nfs/dbraw/zinc/26/79/20/582267920.db2.gz OTQVIVMKPQFNRI-OCAPTIKFSA-N 0 3 250.262 -1.780 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)Nc2ccc(=O)n(C)n2)C1 ZINC000879902428 582268420 /nfs/dbraw/zinc/26/84/20/582268420.db2.gz QSSCGEDYUWIEGI-GFCCVEGCSA-N 0 3 281.316 -1.032 20 0 CAADHN Cn1cnc(C(=O)N[C@H](CO)CN2CCCC2)cc1=O ZINC000879989355 582268507 /nfs/dbraw/zinc/26/85/07/582268507.db2.gz FZOTYHRYAQZJFI-JTQLQIEISA-N 0 3 280.328 -1.033 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCC(CO)(CO)CC1 ZINC000879970887 582268538 /nfs/dbraw/zinc/26/85/38/582268538.db2.gz GJCMDCWTQAEZNQ-ZDUSSCGKSA-N 0 3 290.404 -1.008 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCC(CO)(CO)CC1 ZINC000879970886 582268548 /nfs/dbraw/zinc/26/85/48/582268548.db2.gz GJCMDCWTQAEZNQ-CYBMUJFWSA-N 0 3 290.404 -1.008 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCNC1=O ZINC000879990450 582268579 /nfs/dbraw/zinc/26/85/79/582268579.db2.gz CQTLAKMKOUNVFR-NXEZZACHSA-N 0 3 255.318 -1.305 20 0 CAADHN O=C(CN1C[C@@H]2CCCN2C[C@@H]1CO)N1CCNC(=O)C1 ZINC000880068747 582268666 /nfs/dbraw/zinc/26/86/66/582268666.db2.gz HZFPGSFKVDFPRL-NWDGAFQWSA-N 0 3 296.371 -1.914 20 0 CAADHN CNC(=O)NC(=O)CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880070530 582268669 /nfs/dbraw/zinc/26/86/69/582268669.db2.gz IATGYDUCSVEJIX-VHSXEESVSA-N 0 3 270.333 -1.417 20 0 CAADHN O=C(CN1C[C@@H]2CCCN2C[C@@H]1CO)N1CCNC1=O ZINC000880071070 582268722 /nfs/dbraw/zinc/26/87/22/582268722.db2.gz SBAUPESPIZYQTN-WDEREUQCSA-N 0 3 282.344 -1.321 20 0 CAADHN Cn1nnc(CN2C[C@@H]3CCCN3C[C@@H]2CO)n1 ZINC000880071236 582268733 /nfs/dbraw/zinc/26/87/33/582268733.db2.gz DXZZNKFTFCHRDW-VHSXEESVSA-N 0 3 252.322 -1.149 20 0 CAADHN OC[C@H]1C=CCN1CC(O)CN1CC=C[C@@H]1CO ZINC000880489314 582269474 /nfs/dbraw/zinc/26/94/74/582269474.db2.gz SHQIRXUGBLVOIK-VXGBXAGGSA-N 0 3 254.330 -1.187 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2nnn(C)n2)CC1=O ZINC000880524673 582269476 /nfs/dbraw/zinc/26/94/76/582269476.db2.gz CINJTHLBJBKHTR-UHFFFAOYSA-N 0 3 281.320 -1.944 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nnn(C)n1 ZINC000880417551 582269558 /nfs/dbraw/zinc/26/95/58/582269558.db2.gz PGJFUAQPKNWKCR-MRVPVSSYSA-N 0 3 281.320 -1.598 20 0 CAADHN CN(C)CCN1CCN(C(=O)C[C@@H]2CCNC2=O)CC1=O ZINC000880524784 582269565 /nfs/dbraw/zinc/26/95/65/582269565.db2.gz DBFVTBWVMHFXPF-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN COC(=O)[C@@]1(O)CCN(CCC(=O)N2CCOCC2)C1 ZINC000880559337 582269685 /nfs/dbraw/zinc/26/96/85/582269685.db2.gz CIRKUWWLGJVMPY-CYBMUJFWSA-N 0 3 286.328 -1.155 20 0 CAADHN COC(=O)[C@]1(O)CCN(C[C@H](O)Cn2cccn2)C1 ZINC000880560349 582269774 /nfs/dbraw/zinc/26/97/74/582269774.db2.gz ALDDAWGARUHWQZ-JQWIXIFHSA-N 0 3 269.301 -1.146 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC[C@](O)(C(=O)OC)C1 ZINC000880564903 582269979 /nfs/dbraw/zinc/26/99/79/582269979.db2.gz HCXDRLGHSLWWMZ-WCQYABFASA-N 0 3 290.360 -1.465 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CCN1CCOC1=O ZINC000882163248 582270821 /nfs/dbraw/zinc/27/08/21/582270821.db2.gz OFLRWWXZMNCWGI-ZETCQYMHSA-N 0 3 277.302 -1.154 20 0 CAADHN C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CCO1 ZINC000883649885 582272372 /nfs/dbraw/zinc/27/23/72/582272372.db2.gz LFLGFPGJBQDWGU-SDDRHHMPSA-N 0 3 299.371 -1.066 20 0 CAADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCn2ncnc2C1 ZINC000883650923 582272377 /nfs/dbraw/zinc/27/23/77/582272377.db2.gz AYTALKPDBWHDLB-JTQLQIEISA-N 0 3 292.343 -1.040 20 0 CAADHN CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)N(C)CCN ZINC000883663519 582272396 /nfs/dbraw/zinc/27/23/96/582272396.db2.gz LZYJGRAAKJNDDR-UWVGGRQHSA-N 0 3 273.333 -1.334 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)C[C@H](CO)O1 ZINC000883649671 582272402 /nfs/dbraw/zinc/27/24/02/582272402.db2.gz DQDMLTMFLFHZSK-SDDRHHMPSA-N 0 3 299.371 -1.066 20 0 CAADHN CN(CCOCCO)C(=O)C(=O)N1CCCC[C@H]1CN ZINC000883650869 582272415 /nfs/dbraw/zinc/27/24/15/582272415.db2.gz YLKSTYDDOATWOH-NSHDSACASA-N 0 3 287.360 -1.207 20 0 CAADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCn2cnnc2C1 ZINC000883651358 582272425 /nfs/dbraw/zinc/27/24/25/582272425.db2.gz UJTNTZKUHGPAOC-JTQLQIEISA-N 0 3 292.343 -1.040 20 0 CAADHN CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N(C)CCN ZINC000883663520 582272428 /nfs/dbraw/zinc/27/24/28/582272428.db2.gz LZYJGRAAKJNDDR-VHSXEESVSA-N 0 3 273.333 -1.334 20 0 CAADHN C[C@@H](CNC(=O)N1CC(O)(c2ncnn2C)C1)N(C)C ZINC000883728988 582272537 /nfs/dbraw/zinc/27/25/37/582272537.db2.gz FAWNXMXKYDUZSF-VIFPVBQESA-N 0 3 282.348 -1.022 20 0 CAADHN N[C@H](CC1CC1)C(=O)NCC(=O)N1CCNCC1 ZINC000884015944 582272733 /nfs/dbraw/zinc/27/27/33/582272733.db2.gz IMAMHFLTAUXBEP-SNVBAGLBSA-N 0 3 254.334 -1.338 20 0 CAADHN CN1CCN(C(=O)C[C@@H]2CCNC2=O)[C@H](CN)C1 ZINC000884041766 582272911 /nfs/dbraw/zinc/27/29/11/582272911.db2.gz HLHDEERRHOOXSF-VHSXEESVSA-N 0 3 254.334 -1.386 20 0 CAADHN CN1CCN(C(=O)C[C@@H]2CCNC2=O)[C@@H](CN)C1 ZINC000884041765 582273028 /nfs/dbraw/zinc/27/30/28/582273028.db2.gz HLHDEERRHOOXSF-UWVGGRQHSA-N 0 3 254.334 -1.386 20 0 CAADHN COCC[C@H](N)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000884144848 582273742 /nfs/dbraw/zinc/27/37/42/582273742.db2.gz VQSBWQIQNQVJMM-NSHDSACASA-N 0 3 295.343 -1.041 20 0 CAADHN N[C@@H](CC1CC1)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000884200941 582274016 /nfs/dbraw/zinc/27/40/16/582274016.db2.gz NEVLMPZHBBPHKH-LBPRGKRZSA-N 0 3 298.387 -1.322 20 0 CAADHN N[C@@H](CC1CC1)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000884194446 582274049 /nfs/dbraw/zinc/27/40/49/582274049.db2.gz JOMUCJRURZQIGP-NSHDSACASA-N 0 3 289.401 -1.040 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)[C@H](CN)OC ZINC000884286355 582274444 /nfs/dbraw/zinc/27/44/44/582274444.db2.gz BZZSLYNMQDJCJS-IUCAKERBSA-N 0 3 259.306 -1.676 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@H](CN)OC)C[C@@H](C)O1 ZINC000884386955 582274667 /nfs/dbraw/zinc/27/46/67/582274667.db2.gz FDRZAKYJERPBGX-HRDYMLBCSA-N 0 3 260.290 -1.251 20 0 CAADHN COCC[C@@H](N)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000884409286 582274787 /nfs/dbraw/zinc/27/47/87/582274787.db2.gz FQLGVWPUVCGHSZ-NXEZZACHSA-N 0 3 293.389 -1.158 20 0 CAADHN CCN(C)C(=O)CNC(=O)C(=O)N1CCCC[C@@H]1CN ZINC000884510636 582275222 /nfs/dbraw/zinc/27/52/22/582275222.db2.gz LWBVJGAMSHZSSF-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CN)[C@H]1CN(C)CCO1 ZINC000884571442 582275609 /nfs/dbraw/zinc/27/56/09/582275609.db2.gz PONCXWIICTYDMU-IJLUTSLNSA-N 0 3 298.387 -1.229 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)NCCCN1CCOCC1 ZINC000884652479 582275772 /nfs/dbraw/zinc/27/57/72/582275772.db2.gz UVHRGUOBCMBYPJ-GFCCVEGCSA-N 0 3 298.387 -1.225 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000884642536 582275815 /nfs/dbraw/zinc/27/58/15/582275815.db2.gz LMDLWYKVKGKCGZ-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN COC(=O)[C@@]1(C)CN(C(=O)C(=O)NC2CNC2)C[C@@H]1C ZINC000884692619 582276193 /nfs/dbraw/zinc/27/61/93/582276193.db2.gz LIIOQHLJSLOSJA-SDBXPKJASA-N 0 3 283.328 -1.268 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@@H]1CCCn2nccc21 ZINC000884693114 582276205 /nfs/dbraw/zinc/27/62/05/582276205.db2.gz MKTWHJRUAKTPJU-SECBINFHSA-N 0 3 263.301 -1.078 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCCCCCNC(=O)CC1 ZINC000884693182 582276259 /nfs/dbraw/zinc/27/62/59/582276259.db2.gz PBONDNGQIQWITA-UHFFFAOYSA-N 0 3 296.371 -1.017 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000884693113 582276293 /nfs/dbraw/zinc/27/62/93/582276293.db2.gz MJKCRJHBQKFXHY-VIFPVBQESA-N 0 3 280.328 -1.799 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000884704327 582276384 /nfs/dbraw/zinc/27/63/84/582276384.db2.gz BBWLGSZKWKHVSN-KXUCPTDWSA-N 0 3 282.344 -1.329 20 0 CAADHN CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N[C@H](C)CN ZINC000884704787 582276386 /nfs/dbraw/zinc/27/63/86/582276386.db2.gz STYSDRKMFSAJRP-OPRDCNLKSA-N 0 3 273.333 -1.288 20 0 CAADHN CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)N[C@H](C)CN ZINC000884704785 582276395 /nfs/dbraw/zinc/27/63/95/582276395.db2.gz STYSDRKMFSAJRP-BBBLOLIVSA-N 0 3 273.333 -1.288 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000884705239 582276456 /nfs/dbraw/zinc/27/64/56/582276456.db2.gz LVQAWYMTSJZZEA-QEYWKRMJSA-N 0 3 255.318 -1.321 20 0 CAADHN CC(C)OCCNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000884725590 582276562 /nfs/dbraw/zinc/27/65/62/582276562.db2.gz PGWSWHJCHKTARG-JTQLQIEISA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000885230018 582277036 /nfs/dbraw/zinc/27/70/36/582277036.db2.gz DBZTYWWHKDZPPH-ONGXEEELSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000885230017 582277068 /nfs/dbraw/zinc/27/70/68/582277068.db2.gz DBZTYWWHKDZPPH-MWLCHTKSSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC000885230016 582277076 /nfs/dbraw/zinc/27/70/76/582277076.db2.gz DBZTYWWHKDZPPH-KOLCDFICSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C)CCCS(=O)(=O)N(C)[C@@H]1COC[C@H]1O ZINC000885586966 582277357 /nfs/dbraw/zinc/27/73/57/582277357.db2.gz BJQMXEQVRUIMQY-NXEZZACHSA-N 0 3 266.363 -1.041 20 0 CAADHN Cn1nccc1[C@@H](O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000886253397 582278718 /nfs/dbraw/zinc/27/87/18/582278718.db2.gz VJNCSGRMXRTXQT-STQMWFEESA-N 0 3 293.371 -1.040 20 0 CAADHN CN(C/C=C/CN(C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000886515553 582278837 /nfs/dbraw/zinc/27/88/37/582278837.db2.gz NFYVSWAXYHCOJZ-DNLLBMQLSA-N 0 3 286.372 -1.074 20 0 CAADHN CN(C/C=C\CN(C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000886515554 582278862 /nfs/dbraw/zinc/27/88/62/582278862.db2.gz NFYVSWAXYHCOJZ-UJESFUDVSA-N 0 3 286.372 -1.074 20 0 CAADHN COC[C@@H](NCC(=O)N1CCNC(=O)C1)[C@@H]1CCCOC1 ZINC000886905964 582279363 /nfs/dbraw/zinc/27/93/63/582279363.db2.gz PIFCZNJHMBIJSN-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN CN(CCCF)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000887061394 582280123 /nfs/dbraw/zinc/28/01/23/582280123.db2.gz VFYIYOSNFDXKSS-JTQLQIEISA-N 0 3 274.340 -1.094 20 0 CAADHN CNC(=O)CCN(C)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000887086668 582280734 /nfs/dbraw/zinc/28/07/34/582280734.db2.gz ZWWBOJOFBSIUPH-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CCO1 ZINC000887089788 582280736 /nfs/dbraw/zinc/28/07/36/582280736.db2.gz UCPFITDLMLXCDQ-GMTAPVOTSA-N 0 3 285.344 -1.456 20 0 CAADHN CNC(=O)[C@@]1(C)CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000887088223 582280751 /nfs/dbraw/zinc/28/07/51/582280751.db2.gz ZAHODRWPBYUNPM-YGRLFVJLSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(CCOCCO)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000887088008 582280761 /nfs/dbraw/zinc/28/07/61/582280761.db2.gz JKLZVGJIUBYTIH-SNVBAGLBSA-N 0 3 273.333 -1.597 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCC[C@H](O)C1 ZINC000887082898 582280768 /nfs/dbraw/zinc/28/07/68/582280768.db2.gz JWDUFVIWUQLYSF-ZJUUUORDSA-N 0 3 255.318 -1.081 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@]2(C)CCNC2=O)CC1=O ZINC000889038501 582280771 /nfs/dbraw/zinc/28/07/71/582280771.db2.gz KDSMCYQCEFRFIU-QMTHXVAHSA-N 0 3 296.371 -1.209 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCC2(C1)OCCO2 ZINC000887086666 582280775 /nfs/dbraw/zinc/28/07/75/582280775.db2.gz ZVNKEHDEBWPJSV-SNVBAGLBSA-N 0 3 283.328 -1.089 20 0 CAADHN CNC(=O)[C@]1(C)CCN(C(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000887088222 582280777 /nfs/dbraw/zinc/28/07/77/582280777.db2.gz ZAHODRWPBYUNPM-QMTHXVAHSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CCO1 ZINC000887089789 582280817 /nfs/dbraw/zinc/28/08/17/582280817.db2.gz UCPFITDLMLXCDQ-HBNTYKKESA-N 0 3 285.344 -1.456 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000224156209 582281005 /nfs/dbraw/zinc/28/10/05/582281005.db2.gz QBFSVFCTTZPZOX-OUAUKWLOSA-N 0 3 285.344 -1.144 20 0 CAADHN CN(CCO)CCNC(=O)Nc1nccn(C)c1=O ZINC000887950288 582281112 /nfs/dbraw/zinc/28/11/12/582281112.db2.gz LNKNNVVXNJLTIE-UHFFFAOYSA-N 0 3 269.305 -1.174 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889763940 582281461 /nfs/dbraw/zinc/28/14/61/582281461.db2.gz PCSBQTLTNWRPPE-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN O=C([C@H]1CC(=O)N1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889751526 582281507 /nfs/dbraw/zinc/28/15/07/582281507.db2.gz RFGDYFIWOKBEFE-GMTAPVOTSA-N 0 3 267.329 -1.068 20 0 CAADHN COc1cnc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)nc1 ZINC000958243945 617329754 /nfs/dbraw/zinc/32/97/54/617329754.db2.gz NJGQVCVYEKAWLK-MWLCHTKSSA-N 0 3 296.327 -1.500 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970753561 613423175 /nfs/dbraw/zinc/42/31/75/613423175.db2.gz PYCVSQPSNXZBMA-GHMZBOCLSA-N 0 3 298.343 -2.091 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962621425 613424092 /nfs/dbraw/zinc/42/40/92/613424092.db2.gz YCAYUQUWPVQLNK-XQHKEYJVSA-N 0 3 297.355 -1.728 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970608022 613430935 /nfs/dbraw/zinc/43/09/35/613430935.db2.gz JMBYKDUAOHKZCM-GHMZBOCLSA-N 0 3 298.343 -2.091 20 0 CAADHN CC(=O)N1CC[C@@H](NCC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000965965226 613473785 /nfs/dbraw/zinc/47/37/85/613473785.db2.gz NRRROXOQWCJSHF-VXGBXAGGSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)N1CC[C@](C)(C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970429866 613578474 /nfs/dbraw/zinc/57/84/74/613578474.db2.gz HJYQKNMJCSZHSI-RISCZKNCSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)N1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](O)C1 ZINC000969413566 613657615 /nfs/dbraw/zinc/65/76/15/613657615.db2.gz VNVYQSBSIOGZOL-MNOVXSKESA-N 0 3 266.301 -1.032 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000968508132 613759188 /nfs/dbraw/zinc/75/91/88/613759188.db2.gz LJCAYSJOHDDLGL-SNVBAGLBSA-N 0 3 268.317 -1.860 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)C1 ZINC000968508848 613759200 /nfs/dbraw/zinc/75/92/00/613759200.db2.gz WDYVMONIURCOKR-NEPJUHHUSA-N 0 3 294.355 -1.456 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)C1 ZINC000958014750 613760958 /nfs/dbraw/zinc/76/09/58/613760958.db2.gz IWDBBDRIYTVGCZ-CMPLNLGQSA-N 0 3 285.344 -2.134 20 0 CAADHN CC(=O)NC[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1O ZINC000957788769 613794939 /nfs/dbraw/zinc/79/49/39/613794939.db2.gz NQOBLTASOJWVBZ-GHMZBOCLSA-N 0 3 298.343 -1.643 20 0 CAADHN CC(=O)NC[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC000957788770 613795537 /nfs/dbraw/zinc/79/55/37/613795537.db2.gz NQOBLTASOJWVBZ-MNOVXSKESA-N 0 3 298.343 -1.643 20 0 CAADHN CC(=O)NC[C@@H]1CN(CCn2cncn2)C[C@@H]1O ZINC000957789866 613796306 /nfs/dbraw/zinc/79/63/06/613796306.db2.gz ZUWXVCCOAQSJJY-MNOVXSKESA-N 0 3 253.306 -1.293 20 0 CAADHN CC(=O)N1CCC(C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1 ZINC000970677370 613798554 /nfs/dbraw/zinc/79/85/54/613798554.db2.gz QEUZKEGGDDJVPQ-GFCCVEGCSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)N1CCC(O)(CN[C@@H]2CCNC2=O)CC1 ZINC000946913435 613815263 /nfs/dbraw/zinc/81/52/63/613815263.db2.gz KTACAMOWFRDQRJ-SNVBAGLBSA-N 0 3 255.318 -1.162 20 0 CAADHN CC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000969253592 613843238 /nfs/dbraw/zinc/84/32/38/613843238.db2.gz XMLWKTDJDXKNPW-VXGBXAGGSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000969253591 613863466 /nfs/dbraw/zinc/86/34/66/613863466.db2.gz XMLWKTDJDXKNPW-NWDGAFQWSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)NC[C@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1O ZINC000957788772 613928212 /nfs/dbraw/zinc/92/82/12/613928212.db2.gz NQOBLTASOJWVBZ-WDEREUQCSA-N 0 3 298.343 -1.643 20 0 CAADHN CC(C)[C@@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC000938582456 614074832 /nfs/dbraw/zinc/07/48/32/614074832.db2.gz QZCZKZBTVPUJBM-UWVGGRQHSA-N 0 3 284.360 -1.225 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC000968563383 614135896 /nfs/dbraw/zinc/13/58/96/614135896.db2.gz PDTLFPFTCCERIR-JFGNBEQYSA-N 0 3 297.355 -1.001 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC000968563382 614135960 /nfs/dbraw/zinc/13/59/60/614135960.db2.gz PDTLFPFTCCERIR-CKYFFXLPSA-N 0 3 297.355 -1.001 20 0 CAADHN CC(=O)N[C@@H]1[C@H]2CN(CCCN3C(=O)CNC3=O)C[C@H]21 ZINC000957997893 614184658 /nfs/dbraw/zinc/18/46/58/614184658.db2.gz YJFHYGDUEYZVTN-IAZYJMLFSA-N 0 3 280.328 -1.005 20 0 CAADHN CC(=O)N[C@@H]1[C@H]2CN(C[C@H](O)CN3C(=O)CCC3=O)C[C@H]21 ZINC000957994962 614185616 /nfs/dbraw/zinc/18/56/16/614185616.db2.gz ADKYQVGGZSBLDX-KZWBYHQPSA-N 0 3 295.339 -1.437 20 0 CAADHN CC(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000957992434 614187007 /nfs/dbraw/zinc/18/70/07/614187007.db2.gz OQVRTXPTHYLZED-QCBRBAQYSA-N 0 3 251.286 -1.142 20 0 CAADHN CC(C)[C@H](C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)N(C)C ZINC000942303308 614189223 /nfs/dbraw/zinc/18/92/23/614189223.db2.gz QZCZKZBTVPUJBM-NXEZZACHSA-N 0 3 284.360 -1.225 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968987232 614310050 /nfs/dbraw/zinc/31/00/50/614310050.db2.gz ZLZGPANNYWTTBK-SSDOTTSWSA-N 0 3 256.306 -1.826 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000968986368 614310809 /nfs/dbraw/zinc/31/08/09/614310809.db2.gz IQZSOCJIBIPXGA-BDAKNGLRSA-N 0 3 282.344 -1.423 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000968986895 614310830 /nfs/dbraw/zinc/31/08/30/614310830.db2.gz SZRVWVHIZKQDFE-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN CC(C)N1C[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1=O ZINC000968839390 614399691 /nfs/dbraw/zinc/39/96/91/614399691.db2.gz RGWSXFIDRHACDQ-GHMZBOCLSA-N 0 3 296.371 -1.081 20 0 CAADHN CC1CCN(CC(=O)N2CC[C@H](NC(=O)C(N)=O)C2)CC1 ZINC000938582370 614432076 /nfs/dbraw/zinc/43/20/76/614432076.db2.gz NGMOAJZZGZTUJI-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CCCn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)nn1 ZINC000958552575 614518636 /nfs/dbraw/zinc/51/86/36/614518636.db2.gz VSRLPKHRFXMLFM-PWSUYJOCSA-N 0 3 297.359 -1.297 20 0 CAADHN CC1(C)CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000974391800 614541466 /nfs/dbraw/zinc/54/14/66/614541466.db2.gz BYYUQWHLCYUMND-AOOOYVTPSA-N 0 3 296.371 -1.033 20 0 CAADHN CC1(C)CN(CCCO)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974993867 614640651 /nfs/dbraw/zinc/64/06/51/614640651.db2.gz JHMTVCWMEPEPNE-UWVGGRQHSA-N 0 3 284.360 -1.123 20 0 CAADHN CC1(C)CN(CCCO)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972794227 614640722 /nfs/dbraw/zinc/64/07/22/614640722.db2.gz NJWFFOFPNCUPCS-JTQLQIEISA-N 0 3 282.348 -1.118 20 0 CAADHN CC1(C)CN(CCCO)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974993863 614642611 /nfs/dbraw/zinc/64/26/11/614642611.db2.gz JHMTVCWMEPEPNE-NXEZZACHSA-N 0 3 284.360 -1.123 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000977579536 614660567 /nfs/dbraw/zinc/66/05/67/614660567.db2.gz SJIVFKINKYDSRG-VIFPVBQESA-N 0 3 298.343 -1.643 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000977361089 614661060 /nfs/dbraw/zinc/66/10/60/614661060.db2.gz IDFPZINKLPONEQ-VIFPVBQESA-N 0 3 298.343 -1.643 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000977330484 614661237 /nfs/dbraw/zinc/66/12/37/614661237.db2.gz UFPMQIOBJIHFCF-JTQLQIEISA-N 0 3 297.355 -1.142 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974491108 614663044 /nfs/dbraw/zinc/66/30/44/614663044.db2.gz LILKZUKCSBECSK-BDAKNGLRSA-N 0 3 271.317 -1.086 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972792890 614664870 /nfs/dbraw/zinc/66/48/70/614664870.db2.gz CNOZOFNXQGYBFB-SECBINFHSA-N 0 3 268.321 -1.508 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC000977686304 614665285 /nfs/dbraw/zinc/66/52/85/614665285.db2.gz VKJTVXPNEUWRLF-VHSXEESVSA-N 0 3 297.355 -1.142 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000974674000 614665439 /nfs/dbraw/zinc/66/54/39/614665439.db2.gz GMLAHXQIVRXBDF-DTWKUNHWSA-N 0 3 298.343 -1.597 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000977686270 614665572 /nfs/dbraw/zinc/66/55/72/614665572.db2.gz VKJTVXPNEUWRLF-NXEZZACHSA-N 0 3 297.355 -1.142 20 0 CAADHN CC1(C)CN(CCn2cncn2)CC[C@@H]1NC(=O)C(N)=O ZINC000940997220 614669722 /nfs/dbraw/zinc/66/97/22/614669722.db2.gz QVURRLADDVRRNB-JTQLQIEISA-N 0 3 294.359 -1.020 20 0 CAADHN CCC(=O)N1CC[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970425656 614703815 /nfs/dbraw/zinc/70/38/15/614703815.db2.gz MZYTXVJURVNXLM-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CCCN1C[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1=O ZINC000970123004 614771907 /nfs/dbraw/zinc/77/19/07/614771907.db2.gz JXFGYBLHYWJYRJ-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CCN1CC([C@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000970922752 615097498 /nfs/dbraw/zinc/09/74/98/615097498.db2.gz AVTUSKSBCOBEDZ-QMMMGPOBSA-N 0 3 280.332 -1.167 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969147382 615164940 /nfs/dbraw/zinc/16/49/40/615164940.db2.gz WVWQZPFNPSMYJK-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000960684757 615166039 /nfs/dbraw/zinc/16/60/39/615166039.db2.gz RAGGZQWEZUDJIT-XQHKEYJVSA-N 0 3 283.372 -1.254 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970765185 615181474 /nfs/dbraw/zinc/18/14/74/615181474.db2.gz HCDDDJPIDNQPCP-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN CCN1CC[C@H](N[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC000968125552 615304801 /nfs/dbraw/zinc/30/48/01/615304801.db2.gz ZGJWSYMHWSRBFK-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CCN1C[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1=O ZINC000968842320 615334658 /nfs/dbraw/zinc/33/46/58/615334658.db2.gz KGVXKMZZZWFKAI-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN CC[C@@H](C(=O)N1CC(N(C)C(=O)C(N)=O)C1)N(C)C ZINC000955159699 615367762 /nfs/dbraw/zinc/36/77/62/615367762.db2.gz HFDOUKUWPWJLQC-VIFPVBQESA-N 0 3 270.333 -1.519 20 0 CAADHN CC[C@@H](C(=O)N1C[C@H]2CCN(C(=O)C(N)=O)C[C@H]21)N(C)C ZINC000974592114 615378758 /nfs/dbraw/zinc/37/87/58/615378758.db2.gz PBSAKYJQLHTSRT-OUAUKWLOSA-N 0 3 296.371 -1.129 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962079563 615404285 /nfs/dbraw/zinc/40/42/85/615404285.db2.gz CFQOHZYZAVNVOJ-UYXSQOIJSA-N 0 3 278.316 -1.271 20 0 CAADHN CCOc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)[nH]n1 ZINC000958167796 615505824 /nfs/dbraw/zinc/50/58/24/615505824.db2.gz PTFPFDHRACVWBE-GXSJLCMTSA-N 0 3 298.343 -1.177 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1)C(N)=O ZINC000968513776 615537664 /nfs/dbraw/zinc/53/76/64/615537664.db2.gz ARGALSDKLWNJJO-VXGBXAGGSA-N 0 3 296.371 -1.081 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)C(N)=O ZINC000967751460 615537956 /nfs/dbraw/zinc/53/79/56/615537956.db2.gz VSBOGXIFXNOQIM-OPRDCNLKSA-N 0 3 282.344 -1.281 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1)C(N)=O ZINC000968467162 615537985 /nfs/dbraw/zinc/53/79/85/615537985.db2.gz TVGPGTAGOSXSNV-RKDXNWHRSA-N 0 3 296.331 -1.562 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(N)=O ZINC000970524817 615538001 /nfs/dbraw/zinc/53/80/01/615538001.db2.gz VSBOGXIFXNOQIM-BBBLOLIVSA-N 0 3 282.344 -1.281 20 0 CAADHN CC[C@@H]([NH2+][C@@H]1CCN(C(=O)c2nc[n-]n2)C1)C(N)=O ZINC000970296789 615538600 /nfs/dbraw/zinc/53/86/00/615538600.db2.gz KISWWNQUEGGWHY-HTQZYQBOSA-N 0 3 266.305 -1.127 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)c2cnn(C)n2)C1)C(N)=O ZINC000970257691 615538765 /nfs/dbraw/zinc/53/87/65/615538765.db2.gz RCVUPTLORFGELE-RKDXNWHRSA-N 0 3 280.332 -1.117 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)c2cnnn2C)C1)C(N)=O ZINC000968553003 615538812 /nfs/dbraw/zinc/53/88/12/615538812.db2.gz LQVNFAHJANJMCP-RKDXNWHRSA-N 0 3 280.332 -1.117 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)c2ncn(C)n2)C1)C(N)=O ZINC000968572348 615538827 /nfs/dbraw/zinc/53/88/27/615538827.db2.gz QBLHLNWPAYMMOB-RKDXNWHRSA-N 0 3 280.332 -1.117 20 0 CAADHN CC[C@H](C(=O)N1CC(N(C)C(=O)C(N)=O)C1)N(C)C ZINC000955159695 615600302 /nfs/dbraw/zinc/60/03/02/615600302.db2.gz HFDOUKUWPWJLQC-SECBINFHSA-N 0 3 270.333 -1.519 20 0 CAADHN CC[C@H](C(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1)N(C)C ZINC000951237986 615600979 /nfs/dbraw/zinc/60/09/79/615600979.db2.gz AXLBFSPRIHVDHV-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@H](C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1)N(C)C ZINC000974953893 615603250 /nfs/dbraw/zinc/60/32/50/615603250.db2.gz CPALZAHVIGQQQP-GMTAPVOTSA-N 0 3 296.371 -1.129 20 0 CAADHN CCc1c(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cnn1C ZINC000958210947 615603780 /nfs/dbraw/zinc/60/37/80/615603780.db2.gz UYRWKALFVYHNPP-MFKMUULPSA-N 0 3 296.371 -1.003 20 0 CAADHN CC[C@H](C(=O)N1C[C@H]2CCN(C(=O)C(N)=O)C[C@H]21)N(C)C ZINC000972966961 615604871 /nfs/dbraw/zinc/60/48/71/615604871.db2.gz PBSAKYJQLHTSRT-GMTAPVOTSA-N 0 3 296.371 -1.129 20 0 CAADHN CC[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)N(C)C ZINC000977078168 615605189 /nfs/dbraw/zinc/60/51/89/615605189.db2.gz CDQINZALNNOKRR-RGOKHQFPSA-N 0 3 282.344 -1.615 20 0 CAADHN CCn1ccnc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958020745 615609862 /nfs/dbraw/zinc/60/98/62/615609862.db2.gz UAOBEMLKETXNGJ-GHMZBOCLSA-N 0 3 282.344 -1.082 20 0 CAADHN CCn1ccnc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958020748 615610294 /nfs/dbraw/zinc/61/02/94/615610294.db2.gz UAOBEMLKETXNGJ-WDEREUQCSA-N 0 3 282.344 -1.082 20 0 CAADHN CCn1cnc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)c1 ZINC000958594796 615622264 /nfs/dbraw/zinc/62/22/64/615622264.db2.gz MBMOLYUVOKIYBB-CMPLNLGQSA-N 0 3 282.344 -1.082 20 0 CAADHN CCn1cnc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)c1 ZINC000958594797 615622310 /nfs/dbraw/zinc/62/23/10/615622310.db2.gz MBMOLYUVOKIYBB-JQWIXIFHSA-N 0 3 282.344 -1.082 20 0 CAADHN CCc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n(C)n1 ZINC000958502886 615625311 /nfs/dbraw/zinc/62/53/11/615625311.db2.gz MCOVUZJWGWMBIL-ZWNOBZJWSA-N 0 3 296.371 -1.003 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958744928 615645269 /nfs/dbraw/zinc/64/52/69/615645269.db2.gz XFIUJYQXZGAOIZ-MNOVXSKESA-N 0 3 297.359 -1.379 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958744929 615645475 /nfs/dbraw/zinc/64/54/75/615645475.db2.gz XFIUJYQXZGAOIZ-QWRGUYRKSA-N 0 3 297.359 -1.379 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000968586574 615681136 /nfs/dbraw/zinc/68/11/36/615681136.db2.gz QUDBMISJNJDWTF-MRVPVSSYSA-N 0 3 266.305 -1.413 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958046984 615685885 /nfs/dbraw/zinc/68/58/85/615685885.db2.gz NGTBGLLTJCKZGH-MWLCHTKSSA-N 0 3 283.332 -1.687 20 0 CAADHN CCn1ncc(C(=O)NC[C@H]2CN(CCOC)C[C@@H]2O)n1 ZINC000958046715 615686583 /nfs/dbraw/zinc/68/65/83/615686583.db2.gz KTOBMKAKLQRRHG-JQWIXIFHSA-N 0 3 297.359 -1.033 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958203735 615721413 /nfs/dbraw/zinc/72/14/13/615721413.db2.gz UJTACORPXSUVSJ-SKDRFNHKSA-N 0 3 282.344 -1.013 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958203732 615721444 /nfs/dbraw/zinc/72/14/44/615721444.db2.gz UJTACORPXSUVSJ-BXKDBHETSA-N 0 3 282.344 -1.013 20 0 CAADHN CCn1nnc(C)c1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968892819 615740144 /nfs/dbraw/zinc/74/01/44/615740144.db2.gz JJCKTGUKTCHEMW-SECBINFHSA-N 0 3 280.332 -1.104 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC000968589937 615746385 /nfs/dbraw/zinc/74/63/85/615746385.db2.gz RCWOYSJNAPCABO-RKDXNWHRSA-N 0 3 280.332 -1.024 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H]1CN(CCOC)C[C@H]1O ZINC000958024754 615748103 /nfs/dbraw/zinc/74/81/03/615748103.db2.gz JCOWIZLPQXVFPR-ZYHUDNBSSA-N 0 3 297.359 -1.033 20 0 CAADHN CCn1nncc1C(=O)NC[C@H]1CN(CCOC)C[C@H]1O ZINC000958024751 615748325 /nfs/dbraw/zinc/74/83/25/615748325.db2.gz JCOWIZLPQXVFPR-CMPLNLGQSA-N 0 3 297.359 -1.033 20 0 CAADHN CCn1nncc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958051602 615748375 /nfs/dbraw/zinc/74/83/75/615748375.db2.gz RGUCFYBCSGPWIN-ONGXEEELSA-N 0 3 283.332 -1.687 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000936910426 615780117 /nfs/dbraw/zinc/78/01/17/615780117.db2.gz IWGYSYSRGSIMAC-VHSXEESVSA-N 0 3 282.344 -1.375 20 0 CAADHN CN(C)[C@@H](C(=O)N1CC[C@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC000938683366 615780138 /nfs/dbraw/zinc/78/01/38/615780138.db2.gz KDNODOZLXXYXBM-WDEREUQCSA-N 0 3 296.371 -1.129 20 0 CAADHN CN(C(=O)CN1CCCC1)C1CN(C(=O)CC(N)=O)C1 ZINC000954322866 615814473 /nfs/dbraw/zinc/81/44/73/615814473.db2.gz RJGXWWZEIJGWBR-UHFFFAOYSA-N 0 3 282.344 -1.373 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)C(N)=O ZINC000969787005 615821477 /nfs/dbraw/zinc/82/14/77/615821477.db2.gz ZVDAFAJYIQMLAQ-BDAKNGLRSA-N 0 3 282.344 -1.294 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CN2CCOCC2)C1)C(N)=O ZINC000968451658 615822103 /nfs/dbraw/zinc/82/21/03/615822103.db2.gz XLQKEQJPBUJUEJ-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)Cn2ncnn2)C1)C(N)=O ZINC000968683598 615822669 /nfs/dbraw/zinc/82/26/69/615822669.db2.gz SHLRVUDOULLQCY-BDAKNGLRSA-N 0 3 281.320 -1.873 20 0 CAADHN CC[C@H]([NH2+][C@@H]1CCN(C(=O)c2nc[n-]n2)C1)C(N)=O ZINC000970296790 615823140 /nfs/dbraw/zinc/82/31/40/615823140.db2.gz KISWWNQUEGGWHY-SFYZADRCSA-N 0 3 266.305 -1.127 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)c2ncn(C)n2)C1)C(N)=O ZINC000968572346 615823422 /nfs/dbraw/zinc/82/34/22/615823422.db2.gz QBLHLNWPAYMMOB-BDAKNGLRSA-N 0 3 280.332 -1.117 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1)C(N)=O ZINC000969621809 615823448 /nfs/dbraw/zinc/82/34/48/615823448.db2.gz DIWUUIKMRQSWNH-SFYZADRCSA-N 0 3 281.320 -1.722 20 0 CAADHN CN(C)C1(C(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)CCC1 ZINC000942308484 615840807 /nfs/dbraw/zinc/84/08/07/615840807.db2.gz ULBVDGVODXUAIB-SECBINFHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(C)C1(C(=O)N2CC[C@H](NC(=O)C(N)=O)C2)CCC1 ZINC000938586403 615841856 /nfs/dbraw/zinc/84/18/56/615841856.db2.gz ULBVDGVODXUAIB-VIFPVBQESA-N 0 3 282.344 -1.327 20 0 CAADHN CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CC(N)=O)C1 ZINC000953898251 615855524 /nfs/dbraw/zinc/85/55/24/615855524.db2.gz MFUUBZOQYOFURF-JTQLQIEISA-N 0 3 282.344 -1.375 20 0 CAADHN CCn1cc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)nn1 ZINC000970362011 615940336 /nfs/dbraw/zinc/94/03/36/615940336.db2.gz MFAFXHKAHFTUKB-ZJUUUORDSA-N 0 3 292.343 -1.009 20 0 CAADHN CCn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)nn1 ZINC000958549485 615948094 /nfs/dbraw/zinc/94/80/94/615948094.db2.gz XOXLFHMOYSWJRW-MWLCHTKSSA-N 0 3 283.332 -1.687 20 0 CAADHN CCn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)nn1 ZINC000958549484 615948103 /nfs/dbraw/zinc/94/81/03/615948103.db2.gz XOXLFHMOYSWJRW-KOLCDFICSA-N 0 3 283.332 -1.687 20 0 CAADHN CCn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cn1 ZINC000957940861 615948121 /nfs/dbraw/zinc/94/81/21/615948121.db2.gz WSWVDRFXUIZXSG-ZYHUDNBSSA-N 0 3 282.344 -1.082 20 0 CAADHN CCn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cn1 ZINC000957940860 615948221 /nfs/dbraw/zinc/94/82/21/615948221.db2.gz WSWVDRFXUIZXSG-PWSUYJOCSA-N 0 3 282.344 -1.082 20 0 CAADHN CCn1cc(C(=O)NC[C@H]2CN(CCOC)C[C@H]2O)nn1 ZINC000958549491 615949626 /nfs/dbraw/zinc/94/96/26/615949626.db2.gz XTVXBWRRIFHRLQ-CMPLNLGQSA-N 0 3 297.359 -1.033 20 0 CAADHN CCn1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)nn1 ZINC000958549486 615949681 /nfs/dbraw/zinc/94/96/81/615949681.db2.gz XOXLFHMOYSWJRW-ONGXEEELSA-N 0 3 283.332 -1.687 20 0 CAADHN CCn1cc(C(=O)NC[C@H]2CN(CCOC)C[C@@H]2O)nn1 ZINC000958549492 615949745 /nfs/dbraw/zinc/94/97/45/615949745.db2.gz XTVXBWRRIFHRLQ-JQWIXIFHSA-N 0 3 297.359 -1.033 20 0 CAADHN CCn1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cn1 ZINC000957940859 615950012 /nfs/dbraw/zinc/95/00/12/615950012.db2.gz WSWVDRFXUIZXSG-JQWIXIFHSA-N 0 3 282.344 -1.082 20 0 CAADHN CN(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962088981 615965611 /nfs/dbraw/zinc/96/56/11/615965611.db2.gz UUDPCBVPRGXPAP-MBTKJCJQSA-N 0 3 278.316 -1.447 20 0 CAADHN CN(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962088981 615965612 /nfs/dbraw/zinc/96/56/12/615965612.db2.gz UUDPCBVPRGXPAP-MBTKJCJQSA-N 0 3 278.316 -1.447 20 0 CAADHN CCn1cc(CC(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)nn1 ZINC000969424309 615968058 /nfs/dbraw/zinc/96/80/58/615968058.db2.gz LFNUKGLFGRSNTI-NXEZZACHSA-N 0 3 294.359 -1.095 20 0 CAADHN CN(C)[C@@H](C(=O)N1CCN(CC(N)=O)CC1)C1CC1 ZINC000948759669 615971488 /nfs/dbraw/zinc/97/14/88/615971488.db2.gz GFRLXKLIADUNCO-GFCCVEGCSA-N 0 3 268.361 -1.044 20 0 CAADHN CN(C)[C@@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC000938586239 615972136 /nfs/dbraw/zinc/97/21/36/615972136.db2.gz MUJJLKZLCBGPCE-VHSXEESVSA-N 0 3 282.344 -1.471 20 0 CAADHN CN(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)C1CC1 ZINC000977093072 615972175 /nfs/dbraw/zinc/97/21/75/615972175.db2.gz QAVQFAGJMHKYSS-VPOLOUISSA-N 0 3 294.355 -1.615 20 0 CAADHN CN(C)[C@H](C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)C1CC1 ZINC000942308010 615987991 /nfs/dbraw/zinc/98/79/91/615987991.db2.gz MUJJLKZLCBGPCE-ZJUUUORDSA-N 0 3 282.344 -1.471 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000961799780 616005008 /nfs/dbraw/zinc/00/50/08/616005008.db2.gz BUKSWEXZLJCUDC-RNWYCLNJSA-N 0 3 281.356 -1.251 20 0 CAADHN CN(CC(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)C1CCC1 ZINC000942309639 616045183 /nfs/dbraw/zinc/04/51/83/616045183.db2.gz IVJGXLDDDZYMKR-SECBINFHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CC(N)=O)[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC000972371242 616053732 /nfs/dbraw/zinc/05/37/32/616053732.db2.gz WERKJMQIUOEZFN-SNVBAGLBSA-N 0 3 280.332 -1.245 20 0 CAADHN CN(CC(N)=O)[C@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC000972371241 616055095 /nfs/dbraw/zinc/05/50/95/616055095.db2.gz WERKJMQIUOEZFN-JTQLQIEISA-N 0 3 280.332 -1.245 20 0 CAADHN CN(Cc1ccn(C)c(=O)c1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972209082 616083627 /nfs/dbraw/zinc/08/36/27/616083627.db2.gz GIFRZEPPFKRFQW-NSHDSACASA-N 0 3 292.339 -1.097 20 0 CAADHN C[N@@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)Cc2nnc[n-]2)C1 ZINC000972692697 616116549 /nfs/dbraw/zinc/11/65/49/616116549.db2.gz GMCBPRVDXCVOLA-VHSXEESVSA-N 0 3 292.343 -1.232 20 0 CAADHN C[N@H+]([C@@H]1CCNC1=O)[C@H]1CCN(C(=O)Cc2nnc[n-]2)C1 ZINC000972692697 616116550 /nfs/dbraw/zinc/11/65/50/616116550.db2.gz GMCBPRVDXCVOLA-VHSXEESVSA-N 0 3 292.343 -1.232 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000969681682 616127782 /nfs/dbraw/zinc/12/77/82/616127782.db2.gz IGZNPYOGDWUAIE-GMTAPVOTSA-N 0 3 294.355 -1.314 20 0 CAADHN CN(CCn1cccn1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972214130 616128486 /nfs/dbraw/zinc/12/84/86/616128486.db2.gz BKANNXAZWBQUNE-JTQLQIEISA-N 0 3 265.317 -1.099 20 0 CAADHN CN(CCn1cncn1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971238505 616128754 /nfs/dbraw/zinc/12/87/54/616128754.db2.gz HHBUIYQIKQBDCV-JTQLQIEISA-N 0 3 280.332 -1.314 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000969605812 616131660 /nfs/dbraw/zinc/13/16/60/616131660.db2.gz IGZNPYOGDWUAIE-VWYCJHECSA-N 0 3 294.355 -1.314 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969606575 616131821 /nfs/dbraw/zinc/13/18/21/616131821.db2.gz RINLFNRLWOAHLC-BDAKNGLRSA-N 0 3 268.317 -1.717 20 0 CAADHN CN(C[C@H]1CCc2ncnn21)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972216629 616161991 /nfs/dbraw/zinc/16/19/91/616161991.db2.gz PPRJQEJYTLQCFW-VHSXEESVSA-N 0 3 292.343 -1.217 20 0 CAADHN CN1CCC[C@@H](N[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC000968125575 616190944 /nfs/dbraw/zinc/19/09/44/616190944.db2.gz ZIXUGBHOZTYVAX-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCC(NC(=O)C(N)=O)CC1 ZINC000945400089 616209050 /nfs/dbraw/zinc/20/90/50/616209050.db2.gz XFCJQCFLVZEWIU-JTQLQIEISA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@@H](NCc2nnnn2C)C1 ZINC000967925892 616209783 /nfs/dbraw/zinc/20/97/83/616209783.db2.gz UEHSEWWXEUUBKU-MNOVXSKESA-N 0 3 293.375 -1.005 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000936910425 616210249 /nfs/dbraw/zinc/21/02/49/616210249.db2.gz IWGYSYSRGSIMAC-UWVGGRQHSA-N 0 3 282.344 -1.375 20 0 CAADHN CN1CCN(CC(=O)N2CC[C@@H](NCC(N)=O)C2)CC1=O ZINC000969136663 616239475 /nfs/dbraw/zinc/23/94/75/616239475.db2.gz YEBJGFKHRWBPBG-SNVBAGLBSA-N 0 3 297.359 -2.564 20 0 CAADHN CN1CC[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1=O ZINC000969117370 616265104 /nfs/dbraw/zinc/26/51/04/616265104.db2.gz NPCSKEDFYVVGDW-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1=O ZINC000961547460 616267840 /nfs/dbraw/zinc/26/78/40/616267840.db2.gz BTFQCYLROBPXMF-UKKRHICBSA-N 0 3 267.329 -1.497 20 0 CAADHN CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC1=O ZINC000960619212 616267861 /nfs/dbraw/zinc/26/78/61/616267861.db2.gz CKQWPRQCUCXKEF-DCQANWLSSA-N 0 3 281.356 -1.107 20 0 CAADHN CN1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1=O ZINC000960468631 616269518 /nfs/dbraw/zinc/26/95/18/616269518.db2.gz NURJBYYJHGZDHH-MEWQQHAOSA-N 0 3 281.356 -1.107 20 0 CAADHN CN1CC[C@@H](N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cnon2)C1=O ZINC000962096803 616275995 /nfs/dbraw/zinc/27/59/95/616275995.db2.gz AJLIJYONAKHAPP-MKHNBGRSSA-N 0 3 291.311 -1.040 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)NC1=O ZINC000974926569 616278987 /nfs/dbraw/zinc/27/89/87/616278987.db2.gz VVXBVPPISLCABI-UWVGGRQHSA-N 0 3 284.360 -1.171 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCN(C(=O)Cn3nccn3)C2)C1=O ZINC000968802373 616281250 /nfs/dbraw/zinc/28/12/50/616281250.db2.gz LPOIUVAXAIYWNB-GHMZBOCLSA-N 0 3 292.343 -1.301 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC000968699316 616281441 /nfs/dbraw/zinc/28/14/41/616281441.db2.gz HJQGQLKFMSTUKZ-NXEZZACHSA-N 0 3 293.331 -1.906 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCN(C(=O)Cn3cncn3)C2)C1=O ZINC000970659958 616281684 /nfs/dbraw/zinc/28/16/84/616281684.db2.gz FENDSOMJPMVOCJ-GHMZBOCLSA-N 0 3 292.343 -1.301 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCN(C(=O)c3cnnn3C)C2)C1=O ZINC000968553045 616282509 /nfs/dbraw/zinc/28/25/09/616282509.db2.gz MTKBRPFHJGURQU-NXEZZACHSA-N 0 3 292.343 -1.150 20 0 CAADHN CN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)c3nc[n-]n3)C2)C1=O ZINC000970297028 616282558 /nfs/dbraw/zinc/28/25/58/616282558.db2.gz LYEWPYIQHRBQPP-RKDXNWHRSA-N 0 3 278.316 -1.161 20 0 CAADHN COCCN1CC([C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000970355856 616314688 /nfs/dbraw/zinc/31/46/88/616314688.db2.gz AVJPEJGHPSAUJV-SCZZXKLOSA-N 0 3 270.333 -1.249 20 0 CAADHN CN1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1=O ZINC000960468627 616393861 /nfs/dbraw/zinc/39/38/61/616393861.db2.gz NURJBYYJHGZDHH-DCQANWLSSA-N 0 3 281.356 -1.107 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CN(CCO)CC2(C)C)NC1=O ZINC000974926565 616416492 /nfs/dbraw/zinc/41/64/92/616416492.db2.gz VVXBVPPISLCABI-NXEZZACHSA-N 0 3 284.360 -1.171 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1=O ZINC000970524310 616417825 /nfs/dbraw/zinc/41/78/25/616417825.db2.gz MIKOMKPLMCMFJD-VWYCJHECSA-N 0 3 294.355 -1.314 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1=O ZINC000967749851 616418015 /nfs/dbraw/zinc/41/80/15/616418015.db2.gz MIKOMKPLMCMFJD-MXWKQRLJSA-N 0 3 294.355 -1.314 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC000968124472 616418284 /nfs/dbraw/zinc/41/82/84/616418284.db2.gz OCUSSPLRGXQTIO-BDAKNGLRSA-N 0 3 268.317 -1.717 20 0 CAADHN CN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)c3nc[n-]n3)C2)C1=O ZINC000970297027 616418358 /nfs/dbraw/zinc/41/83/58/616418358.db2.gz LYEWPYIQHRBQPP-BDAKNGLRSA-N 0 3 278.316 -1.161 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCN(C(=O)Cn3cncn3)C2)C1=O ZINC000970659959 616418413 /nfs/dbraw/zinc/41/84/13/616418413.db2.gz FENDSOMJPMVOCJ-MNOVXSKESA-N 0 3 292.343 -1.301 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957841753 616442175 /nfs/dbraw/zinc/44/21/75/616442175.db2.gz IKJVQKUOEGDRPB-QWHCGFSZSA-N 0 3 295.339 -1.011 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000958379403 616442850 /nfs/dbraw/zinc/44/28/50/616442850.db2.gz RIXWWPYYOYBEBM-GXSJLCMTSA-N 0 3 298.343 -1.205 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958014448 616442963 /nfs/dbraw/zinc/44/29/63/616442963.db2.gz HAKINIXSYYARGD-WCQYABFASA-N 0 3 299.371 -1.480 20 0 CAADHN COCCN1C[C@@H](CNC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC000958014447 616443746 /nfs/dbraw/zinc/44/37/46/616443746.db2.gz HAKINIXSYYARGD-DGCLKSJQSA-N 0 3 299.371 -1.480 20 0 CAADHN COCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC000958168100 616443949 /nfs/dbraw/zinc/44/39/49/616443949.db2.gz TYPQIGCVVDNNFS-GXSJLCMTSA-N 0 3 296.327 -1.149 20 0 CAADHN COCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC000958168100 616443950 /nfs/dbraw/zinc/44/39/50/616443950.db2.gz TYPQIGCVVDNNFS-GXSJLCMTSA-N 0 3 296.327 -1.149 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958309205 616444028 /nfs/dbraw/zinc/44/40/28/616444028.db2.gz IILPZSDHVLYBON-GXSJLCMTSA-N 0 3 298.343 -1.205 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958026133 616444226 /nfs/dbraw/zinc/44/42/26/616444226.db2.gz YSURLSCTAQLHJH-VHSXEESVSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958020029 616444292 /nfs/dbraw/zinc/44/42/92/616444292.db2.gz IYRLFDFWLMNTQA-GXSJLCMTSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2cnon2)[C@H](O)C1 ZINC000958503931 616445837 /nfs/dbraw/zinc/44/58/37/616445837.db2.gz VKCPIOHLTDFIOP-PSASIEDQSA-N 0 3 270.289 -1.262 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2cnn(C)n2)[C@H](O)C1 ZINC000958480457 616446132 /nfs/dbraw/zinc/44/61/32/616446132.db2.gz BALBETQRATZKQF-MWLCHTKSSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2cnon2)C1 ZINC000958503935 616452226 /nfs/dbraw/zinc/45/22/26/616452226.db2.gz VKCPIOHLTDFIOP-WPRPVWTQSA-N 0 3 270.289 -1.262 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957847357 616458572 /nfs/dbraw/zinc/45/85/72/616458572.db2.gz QBQCEPDPDTUTQA-KOLCDFICSA-N 0 3 296.327 -1.149 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2cnnn2C)C1 ZINC000958035503 616459570 /nfs/dbraw/zinc/45/95/70/616459570.db2.gz GKVZLYZEQDMTIU-KOLCDFICSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2cnon2)C1 ZINC000958503932 616459638 /nfs/dbraw/zinc/45/96/38/616459638.db2.gz VKCPIOHLTDFIOP-SCZZXKLOSA-N 0 3 270.289 -1.262 20 0 CAADHN COCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC000958168101 616459653 /nfs/dbraw/zinc/45/96/53/616459653.db2.gz TYPQIGCVVDNNFS-KOLCDFICSA-N 0 3 296.327 -1.149 20 0 CAADHN COCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC000958168101 616459655 /nfs/dbraw/zinc/45/96/55/616459655.db2.gz TYPQIGCVVDNNFS-KOLCDFICSA-N 0 3 296.327 -1.149 20 0 CAADHN CN1C[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1=O ZINC000968844301 616481969 /nfs/dbraw/zinc/48/19/69/616481969.db2.gz BSUMEAIIGMRZAL-DTWKUNHWSA-N 0 3 268.317 -1.860 20 0 CAADHN CNC(=O)CN1CCC2(CC1)CCN(C(=O)C(N)=O)CC2 ZINC000957595608 616601872 /nfs/dbraw/zinc/60/18/72/616601872.db2.gz ZFTIWLOPROZHOW-UHFFFAOYSA-N 0 3 296.371 -1.078 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943676798 616616882 /nfs/dbraw/zinc/61/68/82/616616882.db2.gz VYLZMGNVIASBFS-DTWKUNHWSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)c2ncn[nH]2)[C@@H](C)C1 ZINC000943676798 616616883 /nfs/dbraw/zinc/61/68/83/616616883.db2.gz VYLZMGNVIASBFS-DTWKUNHWSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)c2nc[nH]n2)[C@@H](C)C1 ZINC000943676798 616616884 /nfs/dbraw/zinc/61/68/84/616616884.db2.gz VYLZMGNVIASBFS-DTWKUNHWSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943676800 616617011 /nfs/dbraw/zinc/61/70/11/616617011.db2.gz VYLZMGNVIASBFS-RKDXNWHRSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC000943676800 616617013 /nfs/dbraw/zinc/61/70/13/616617013.db2.gz VYLZMGNVIASBFS-RKDXNWHRSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC000943676800 616617015 /nfs/dbraw/zinc/61/70/15/616617015.db2.gz VYLZMGNVIASBFS-RKDXNWHRSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980169524 616633918 /nfs/dbraw/zinc/63/39/18/616633918.db2.gz WUWOEMWQNOINSW-LPEHRKFASA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cnc[nH]1 ZINC000961893963 616643304 /nfs/dbraw/zinc/64/33/04/616643304.db2.gz CUAXCQRVGXQWNO-IWIIMEHWSA-N 0 3 277.328 -1.255 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCN1C ZINC000958377667 616645052 /nfs/dbraw/zinc/64/50/52/616645052.db2.gz HLLNMFOJNUNVPB-XZUYRWCXSA-N 0 3 280.372 -1.127 20 0 CAADHN CNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[n-]nnc1C ZINC000961445500 616792420 /nfs/dbraw/zinc/79/24/20/616792420.db2.gz SAPQBMHLWDKNGH-REIXXSIJSA-N 0 3 292.343 -1.092 20 0 CAADHN CNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[n-]nnc1C ZINC000961445500 616792424 /nfs/dbraw/zinc/79/24/24/616792424.db2.gz SAPQBMHLWDKNGH-REIXXSIJSA-N 0 3 292.343 -1.092 20 0 CAADHN CNC(=O)[C@H](C)N1CCC[C@H](N(C)C(=O)C(N)=O)CC1 ZINC000948738268 616848558 /nfs/dbraw/zinc/84/85/58/616848558.db2.gz UJXTYIYYTYDEQI-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962086432 616854184 /nfs/dbraw/zinc/85/41/84/616854184.db2.gz QSJSJPCPZQBXGL-RBXMUDONSA-N 0 3 278.316 -1.401 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962086432 616854186 /nfs/dbraw/zinc/85/41/86/616854186.db2.gz QSJSJPCPZQBXGL-RBXMUDONSA-N 0 3 278.316 -1.401 20 0 CAADHN COCc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)no1 ZINC000958457579 616880701 /nfs/dbraw/zinc/88/07/01/616880701.db2.gz FDNHJCVJECJLSK-CABZTGNLSA-N 0 3 299.327 -1.164 20 0 CAADHN COCc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)no1 ZINC000958457578 616880724 /nfs/dbraw/zinc/88/07/24/616880724.db2.gz FDNHJCVJECJLSK-BXKDBHETSA-N 0 3 299.327 -1.164 20 0 CAADHN COCc1nc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)co1 ZINC000958551810 616927059 /nfs/dbraw/zinc/92/70/59/616927059.db2.gz NXXNBIZZGNFERX-ONGXEEELSA-N 0 3 299.327 -1.164 20 0 CAADHN COCc1nocc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958584195 616984011 /nfs/dbraw/zinc/98/40/11/616984011.db2.gz OVHPQHLORZDLAF-BXKDBHETSA-N 0 3 299.327 -1.164 20 0 CAADHN CO[C@@H](C)C(=O)N1CCC(O)(CN[C@H]2CCNC2=O)CC1 ZINC000946918903 617133633 /nfs/dbraw/zinc/13/36/33/617133633.db2.gz VEYURORPVPNSAD-QWRGUYRKSA-N 0 3 299.371 -1.147 20 0 CAADHN COc1c(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)cnn1C ZINC000939617960 617142730 /nfs/dbraw/zinc/14/27/30/617142730.db2.gz WWADJXLPNHYRMD-PSASIEDQSA-N 0 3 295.343 -1.036 20 0 CAADHN COc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)on1 ZINC000957997521 617162300 /nfs/dbraw/zinc/16/23/00/617162300.db2.gz ZJIVAZSAMMKDOM-DTWKUNHWSA-N 0 3 285.300 -1.302 20 0 CAADHN COc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)ncn1 ZINC000958073276 617162317 /nfs/dbraw/zinc/16/23/17/617162317.db2.gz JLXVVTYVSGHCJI-ONGXEEELSA-N 0 3 296.327 -1.500 20 0 CAADHN COc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)nn1C ZINC000958240160 617162373 /nfs/dbraw/zinc/16/23/73/617162373.db2.gz YDLDAJOAFPHESW-ONGXEEELSA-N 0 3 298.343 -1.557 20 0 CAADHN C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095421125 782187015 /nfs/dbraw/zinc/18/70/15/782187015.db2.gz MBAKHFDJNLWMSM-ZNSHCXBVSA-N 0 3 280.332 -1.225 20 0 CAADHN CCn1nncc1CNCCCN(C)C(=O)C(N)=O ZINC001276202953 782188853 /nfs/dbraw/zinc/18/88/53/782188853.db2.gz LSWMBRJRJIRZBC-UHFFFAOYSA-N 0 3 268.321 -1.279 20 0 CAADHN CN(CCCNCc1ccn(C)n1)C(=O)C(N)=O ZINC001276203311 782188865 /nfs/dbraw/zinc/18/88/65/782188865.db2.gz RBZCOBOLBHWTJS-UHFFFAOYSA-N 0 3 253.306 -1.157 20 0 CAADHN COCCNC(=O)CNS(=O)(=O)N1CCNCC1 ZINC000228743477 656109974 /nfs/dbraw/zinc/10/99/74/656109974.db2.gz ZJBDVPCNOVOTSO-UHFFFAOYSA-N 0 3 280.350 -2.511 20 0 CAADHN CC(C)(O)[C@@H](O)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908202248 656211174 /nfs/dbraw/zinc/21/11/74/656211174.db2.gz AVIZMUHOSHXZRO-ZJUUUORDSA-N 0 3 260.334 -1.309 20 0 CAADHN C[C@@H]1OC(=O)N[C@H]1C(=O)N(C)CCN(C)CCO ZINC000912605134 656261648 /nfs/dbraw/zinc/26/16/48/656261648.db2.gz FVKQBAOFYZNPMY-DTWKUNHWSA-N 0 3 259.306 -1.134 20 0 CAADHN C[C@H]1OC(=O)N[C@@H]1C(=O)N(C)CCN(C)CCO ZINC000912605133 656261769 /nfs/dbraw/zinc/26/17/69/656261769.db2.gz FVKQBAOFYZNPMY-BDAKNGLRSA-N 0 3 259.306 -1.134 20 0 CAADHN CCOC(=O)C[C@@H](O)C(=O)N(C)CCN(C)CCO ZINC000912604715 656262478 /nfs/dbraw/zinc/26/24/78/656262478.db2.gz MOBJDIBNNYLWSA-SNVBAGLBSA-N 0 3 276.333 -1.317 20 0 CAADHN CCCN(C)CC(=O)N1CC(NS(N)(=O)=O)C1 ZINC000913056180 656271714 /nfs/dbraw/zinc/27/17/14/656271714.db2.gz JBQDRWUFRZTWKM-UHFFFAOYSA-N 0 3 264.351 -1.668 20 0 CAADHN CN(CCCNCC(=O)Nc1ccon1)C(=O)C(N)=O ZINC001276202569 782189526 /nfs/dbraw/zinc/18/95/26/782189526.db2.gz HVNIMBWGNLWURH-UHFFFAOYSA-N 0 3 283.288 -1.464 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)C(N)=O ZINC000969140370 655995213 /nfs/dbraw/zinc/99/52/13/655995213.db2.gz BCNQPLGICKWIIQ-DTWKUNHWSA-N 0 3 296.331 -2.354 20 0 CAADHN COc1coc(C(=O)N[C@H]2C[C@H](NCC(N)=O)C2)cc1=O ZINC001020394871 655995226 /nfs/dbraw/zinc/99/52/26/655995226.db2.gz PSEWXOPDWZLUGR-ZKCHVHJHSA-N 0 3 295.295 -1.016 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C2CCC(C(N)=O)CC2)C1 ZINC000969162247 655995487 /nfs/dbraw/zinc/99/54/87/655995487.db2.gz RKCYJLNTJMXHCH-VQXHTEKXSA-N 0 3 296.371 -1.046 20 0 CAADHN Cn1cnn(CC(=O)N2CC[C@@H](NCCF)C2)c1=O ZINC000969140525 655995693 /nfs/dbraw/zinc/99/56/93/655995693.db2.gz KGLPYRGRBIWFJO-SECBINFHSA-N 0 3 271.296 -1.258 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 ZINC000969184450 655995709 /nfs/dbraw/zinc/99/57/09/655995709.db2.gz KXKBJHQOMXYIBL-SNVBAGLBSA-N 0 3 282.344 -1.325 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC000969271633 655996488 /nfs/dbraw/zinc/99/64/88/655996488.db2.gz VYJZFINYUAZNFS-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN Cc1cc(CC(=O)N2CC[C@@H](NCC(N)=O)C2)n(C)n1 ZINC000969324211 655996525 /nfs/dbraw/zinc/99/65/25/655996525.db2.gz RMLIMZAJYQNSJR-SNVBAGLBSA-N 0 3 279.344 -1.053 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001020465385 655996837 /nfs/dbraw/zinc/99/68/37/655996837.db2.gz ZXOYAWWAYKDVEV-FXPVBKGRSA-N 0 3 292.343 -1.312 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1)C(N)=O ZINC000969401313 655997878 /nfs/dbraw/zinc/99/78/78/655997878.db2.gz RNMFNGXUAAJQDD-RKDXNWHRSA-N 0 3 293.327 -1.542 20 0 CAADHN Cc1cncn1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969356733 655997901 /nfs/dbraw/zinc/99/79/01/655997901.db2.gz LUXKKLIJQMKGIC-SNVBAGLBSA-N 0 3 265.317 -1.133 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cn(C)c(=O)cn2)C1)C(N)=O ZINC000969401312 655998010 /nfs/dbraw/zinc/99/80/10/655998010.db2.gz RNMFNGXUAAJQDD-DTWKUNHWSA-N 0 3 293.327 -1.542 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC000969431526 655998650 /nfs/dbraw/zinc/99/86/50/655998650.db2.gz FCAQBSRHUOBIKI-SRRSOLGSSA-N 0 3 297.355 -1.286 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001020532022 655999568 /nfs/dbraw/zinc/99/95/68/655999568.db2.gz FAKQKUHDSDTVEB-NQMVMOMDSA-N 0 3 293.331 -1.767 20 0 CAADHN Cc1nc([C@@H](C)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)n[nH]1 ZINC001020534678 655999754 /nfs/dbraw/zinc/99/97/54/655999754.db2.gz FFFKVJJUGFEORS-LPBLVHEISA-N 0 3 266.305 -1.104 20 0 CAADHN Cc1nc([C@H](C)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)n[nH]1 ZINC001020534677 656000161 /nfs/dbraw/zinc/00/01/61/656000161.db2.gz FFFKVJJUGFEORS-GEVIPFJHSA-N 0 3 266.305 -1.104 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC000969466496 656000481 /nfs/dbraw/zinc/00/04/81/656000481.db2.gz VAKQILUTNAJBSC-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2csnn2)C1 ZINC000969485235 656000672 /nfs/dbraw/zinc/00/06/72/656000672.db2.gz BJEHXEMGINGMOD-ZCFIWIBFSA-N 0 3 255.303 -1.173 20 0 CAADHN C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CN(CCCO)C1 ZINC000969588352 656001248 /nfs/dbraw/zinc/00/12/48/656001248.db2.gz LMFIOUKLUKGUNM-PSASIEDQSA-N 0 3 271.317 -1.086 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000969567229 656001259 /nfs/dbraw/zinc/00/12/59/656001259.db2.gz RPSNSPGDQQPNEF-HTQZYQBOSA-N 0 3 254.290 -2.202 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000969573469 656001354 /nfs/dbraw/zinc/00/13/54/656001354.db2.gz LPBWLSQYKUYZIA-SECBINFHSA-N 0 3 283.332 -2.906 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC000969566767 656001380 /nfs/dbraw/zinc/00/13/80/656001380.db2.gz NSMMMKVGPHIELN-GHMZBOCLSA-N 0 3 294.355 -1.455 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)n[nH]1 ZINC000969577677 656001441 /nfs/dbraw/zinc/00/14/41/656001441.db2.gz FZHBXDQTECAUMX-NXEZZACHSA-N 0 3 292.343 -1.060 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1)C(N)=O ZINC000969576566 656001687 /nfs/dbraw/zinc/00/16/87/656001687.db2.gz KACXJCYIKAXFKD-HTQZYQBOSA-N 0 3 281.316 -1.196 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC000969559080 656001723 /nfs/dbraw/zinc/00/17/23/656001723.db2.gz QIDQEJYEJIAQBR-SECBINFHSA-N 0 3 289.299 -1.586 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1)C(N)=O ZINC000969625105 656002091 /nfs/dbraw/zinc/00/20/91/656002091.db2.gz IOTIXIUNZUKVGY-AEJSXWLSSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCC(=O)NC1 ZINC000969674675 656002229 /nfs/dbraw/zinc/00/22/29/656002229.db2.gz MNJWHEUSIDZKLV-NOZJJQNGSA-N 0 3 282.344 -1.422 20 0 CAADHN Cn1cncc1CN[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC000969625706 656002299 /nfs/dbraw/zinc/00/22/99/656002299.db2.gz MVTFQEDZWJDSOF-SECBINFHSA-N 0 3 290.331 -1.052 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)n1 ZINC000969622691 656002343 /nfs/dbraw/zinc/00/23/43/656002343.db2.gz KSMGOVPEZWXLAK-SECBINFHSA-N 0 3 293.331 -1.754 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)C(N)=O ZINC000969645242 656002390 /nfs/dbraw/zinc/00/23/90/656002390.db2.gz DZJUWNSQYXQFTM-APLZJWDSSA-N 0 3 267.329 -1.057 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000969626190 656002586 /nfs/dbraw/zinc/00/25/86/656002586.db2.gz QZIDTEMYFGPSCE-ZCFIWIBFSA-N 0 3 253.266 -2.501 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000969682637 656003063 /nfs/dbraw/zinc/00/30/63/656003063.db2.gz POTARNYIDVVIBM-SECBINFHSA-N 0 3 252.274 -1.107 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1)C(N)=O ZINC000969687037 656003190 /nfs/dbraw/zinc/00/31/90/656003190.db2.gz IOTIXIUNZUKVGY-OPRDCNLKSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)COc2cnn(C)c2)C1)C(N)=O ZINC000969730575 656003378 /nfs/dbraw/zinc/00/33/78/656003378.db2.gz KGZPQENCLTZFGW-NXEZZACHSA-N 0 3 295.343 -1.137 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n[nH]1 ZINC000969767234 656003651 /nfs/dbraw/zinc/00/36/51/656003651.db2.gz UOBSBDMTBFKQKV-RKDXNWHRSA-N 0 3 293.331 -1.515 20 0 CAADHN Cn1cncc1CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000969766464 656003666 /nfs/dbraw/zinc/00/36/66/656003666.db2.gz NPGDPLDMGOOTJZ-KOLCDFICSA-N 0 3 292.343 -1.208 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC000969766793 656003841 /nfs/dbraw/zinc/00/38/41/656003841.db2.gz QBTPMWYCVUHOER-NXEZZACHSA-N 0 3 295.343 -1.909 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H](NCc2ccc(C(N)=O)cc2)C1 ZINC000969777962 656004252 /nfs/dbraw/zinc/00/42/52/656004252.db2.gz SBCIWKIZSZDNQQ-LLVKDONJSA-N 0 3 290.323 -1.039 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000969778257 656004421 /nfs/dbraw/zinc/00/44/21/656004421.db2.gz VHJFTEJIQRFVFV-HTQZYQBOSA-N 0 3 254.290 -2.059 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC000969791633 656004748 /nfs/dbraw/zinc/00/47/48/656004748.db2.gz GCSMZGVZHNVYSY-BDAKNGLRSA-N 0 3 280.328 -1.669 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)CC1 ZINC000969792938 656004896 /nfs/dbraw/zinc/00/48/96/656004896.db2.gz YGMXVWXLDFCWEP-ZJUUUORDSA-N 0 3 294.355 -1.279 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC000969792027 656004992 /nfs/dbraw/zinc/00/49/92/656004992.db2.gz KPAHFPULLIVAFX-SSDOTTSWSA-N 0 3 254.290 -2.072 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H]2C)C1 ZINC001020585849 656005083 /nfs/dbraw/zinc/00/50/83/656005083.db2.gz UTCNFPQXNZKKMX-DCAQKATOSA-N 0 3 296.371 -1.081 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC000969860333 656005708 /nfs/dbraw/zinc/00/57/08/656005708.db2.gz NUWXDLASRDTJAY-ZCFIWIBFSA-N 0 3 255.253 -1.162 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC000969917273 656005823 /nfs/dbraw/zinc/00/58/23/656005823.db2.gz UPKIJHSMKUSDTG-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000969967606 656005885 /nfs/dbraw/zinc/00/58/85/656005885.db2.gz GFFFWJFIUZJVLI-MXWKQRLJSA-N 0 3 294.355 -1.469 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC000969982187 656006118 /nfs/dbraw/zinc/00/61/18/656006118.db2.gz MMSXECJYERKNBL-SSDOTTSWSA-N 0 3 279.300 -1.597 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1)C(N)=O ZINC000969981815 656006274 /nfs/dbraw/zinc/00/62/74/656006274.db2.gz HCZJAIHFVMVLLX-JGVFFNPUSA-N 0 3 293.327 -1.209 20 0 CAADHN Cc1ccn(CC(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000969998592 656006908 /nfs/dbraw/zinc/00/69/08/656006908.db2.gz QRZQKDQROCRVSM-SNVBAGLBSA-N 0 3 265.317 -1.133 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970118825 656007961 /nfs/dbraw/zinc/00/79/61/656007961.db2.gz JJYIVGLMEFAWGQ-RQJHMYQMSA-N 0 3 283.288 -2.740 20 0 CAADHN Cn1ncnc1CN[C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001020781023 656008195 /nfs/dbraw/zinc/00/81/95/656008195.db2.gz DCABTSIUYHAZQU-ZKCHVHJHSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1ncnc1CN[C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001020781023 656008198 /nfs/dbraw/zinc/00/81/98/656008198.db2.gz DCABTSIUYHAZQU-ZKCHVHJHSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1ncnc1CN[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001020781023 656008202 /nfs/dbraw/zinc/00/82/02/656008202.db2.gz DCABTSIUYHAZQU-ZKCHVHJHSA-N 0 3 276.304 -1.016 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001020904097 656008611 /nfs/dbraw/zinc/00/86/11/656008611.db2.gz MNXQEPYFEVQJCW-LJGSYFOKSA-N 0 3 252.278 -1.931 20 0 CAADHN Cc1ccn(CC(=O)N2CC[C@@H](NCC(N)=O)C2)c(=O)c1 ZINC000970134384 656008648 /nfs/dbraw/zinc/00/86/48/656008648.db2.gz ZHKKFVHAZSBLDQ-LLVKDONJSA-N 0 3 292.339 -1.167 20 0 CAADHN CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001020907348 656008725 /nfs/dbraw/zinc/00/87/25/656008725.db2.gz ZZJCLUKTXNXLCA-IWSPIJDZSA-N 0 3 280.332 -1.152 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020904196 656008886 /nfs/dbraw/zinc/00/88/86/656008886.db2.gz QBKAOUMGWRZRRB-IWSPIJDZSA-N 0 3 278.316 -1.528 20 0 CAADHN CN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)Cc3nnc[n-]3)C2)C1=O ZINC001020906968 656008904 /nfs/dbraw/zinc/00/89/04/656008904.db2.gz NRFCIXWQNHCDGE-GUBZILKMSA-N 0 3 292.343 -1.185 20 0 CAADHN C[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001020905262 656008946 /nfs/dbraw/zinc/00/89/46/656008946.db2.gz WVFKMZHHOCNBEX-FXQIFTODSA-N 0 3 266.305 -1.542 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020904195 656009059 /nfs/dbraw/zinc/00/90/59/656009059.db2.gz QBKAOUMGWRZRRB-CIUDSAMLSA-N 0 3 278.316 -1.528 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)C(N)=O ZINC000968785428 656009446 /nfs/dbraw/zinc/00/94/46/656009446.db2.gz ARRMWURBBLDWMP-IONNQARKSA-N 0 3 289.357 -1.905 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)Cn2cncn2)C1 ZINC001021019403 656009977 /nfs/dbraw/zinc/00/99/77/656009977.db2.gz OPINVMJWWWBPPV-MGCOHNPYSA-N 0 3 290.331 -1.156 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970254289 656012736 /nfs/dbraw/zinc/01/27/36/656012736.db2.gz AQGAAHNLLOKYBT-MRVPVSSYSA-N 0 3 282.300 -2.285 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1 ZINC000970205754 656012843 /nfs/dbraw/zinc/01/28/43/656012843.db2.gz PLTHFTDRUYRXNF-BBBLOLIVSA-N 0 3 298.343 -2.499 20 0 CAADHN NC(=O)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C1 ZINC001021074788 656012985 /nfs/dbraw/zinc/01/29/85/656012985.db2.gz XJXDQWWMXGPEBI-IWSPIJDZSA-N 0 3 289.357 -1.714 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CCNC1=O)C1CN(CCCO)C1 ZINC000970274777 656013447 /nfs/dbraw/zinc/01/34/47/656013447.db2.gz OIWFHGSGDDVGDG-KOLCDFICSA-N 0 3 269.345 -1.059 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)n1 ZINC000970255488 656013471 /nfs/dbraw/zinc/01/34/71/656013471.db2.gz XWWZYOWEDKTMER-NXEZZACHSA-N 0 3 292.343 -1.102 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CCN2CCOCC2)C1)C(N)=O ZINC000970261340 656013487 /nfs/dbraw/zinc/01/34/87/656013487.db2.gz DHASEQALXBSIAN-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000970295402 656013836 /nfs/dbraw/zinc/01/38/36/656013836.db2.gz NJRMPJYDEMJXSO-HTQZYQBOSA-N 0 3 292.299 -1.586 20 0 CAADHN C[C@@H](NC(=O)c1nnn(C)n1)C1CN(C[C@H](C)O)C1 ZINC000970287817 656014067 /nfs/dbraw/zinc/01/40/67/656014067.db2.gz LSIFAIFNYQILDB-JGVFFNPUSA-N 0 3 268.321 -1.359 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000970295565 656014071 /nfs/dbraw/zinc/01/40/71/656014071.db2.gz PQTZIJSPVHVCOM-SFYZADRCSA-N 0 3 264.289 -1.503 20 0 CAADHN O=C(c1nc[nH]n1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000970295565 656014072 /nfs/dbraw/zinc/01/40/72/656014072.db2.gz PQTZIJSPVHVCOM-SFYZADRCSA-N 0 3 264.289 -1.503 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000970295404 656014085 /nfs/dbraw/zinc/01/40/85/656014085.db2.gz NJRMPJYDEMJXSO-SFYZADRCSA-N 0 3 292.299 -1.586 20 0 CAADHN O=C(c1cnon1)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC000970303745 656014101 /nfs/dbraw/zinc/01/41/01/656014101.db2.gz OSKPZMVHSBYVQF-SFYZADRCSA-N 0 3 293.283 -1.321 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC000970324611 656014572 /nfs/dbraw/zinc/01/45/72/656014572.db2.gz KCALTMDGEZBFIM-MRVPVSSYSA-N 0 3 267.293 -2.261 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CN(CCCO)C1 ZINC000970359324 656014633 /nfs/dbraw/zinc/01/46/33/656014633.db2.gz QYXRLSLHZOFWGO-SCZZXKLOSA-N 0 3 270.333 -1.513 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC000970373320 656014643 /nfs/dbraw/zinc/01/46/43/656014643.db2.gz BETAZUASWAVSMQ-DTWKUNHWSA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CCn2cnnn2)C1)C(N)=O ZINC000970325633 656014723 /nfs/dbraw/zinc/01/47/23/656014723.db2.gz LXSHPVPYWTYEOU-DTWKUNHWSA-N 0 3 281.320 -1.873 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC000970346535 656014798 /nfs/dbraw/zinc/01/47/98/656014798.db2.gz TUQOYGAUFVFYOS-MRVPVSSYSA-N 0 3 279.300 -1.597 20 0 CAADHN COc1ncc(C(=O)N2CC[C@@H](NCC(N)=O)C2)cn1 ZINC000970397547 656014867 /nfs/dbraw/zinc/01/48/67/656014867.db2.gz KASXJHHAHUIBBR-SECBINFHSA-N 0 3 279.300 -1.225 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)N1CCC1 ZINC000970520586 656015624 /nfs/dbraw/zinc/01/56/24/656015624.db2.gz GDVYXUMRXGHBNN-MNOVXSKESA-N 0 3 294.355 -1.312 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H]1CCN(CCCO)C1 ZINC001010693737 656015831 /nfs/dbraw/zinc/01/58/31/656015831.db2.gz WBFLANOXPAHPJT-SECBINFHSA-N 0 3 269.305 -1.443 20 0 CAADHN Cc1nc[nH]c1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970579239 656016353 /nfs/dbraw/zinc/01/63/53/656016353.db2.gz GKWVQUGMTLDQMP-SECBINFHSA-N 0 3 265.317 -1.064 20 0 CAADHN C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)C1CN(C[C@H](C)O)C1 ZINC000970577649 656016413 /nfs/dbraw/zinc/01/64/13/656016413.db2.gz MTQIJSZYQIYKLN-DTWKUNHWSA-N 0 3 297.355 -1.144 20 0 CAADHN C[C@H](NC(=O)C1CC(=O)NC(=O)C1)C1CN(CCCO)C1 ZINC000970577797 656016503 /nfs/dbraw/zinc/01/65/03/656016503.db2.gz RAHJOBABEQJWSM-VIFPVBQESA-N 0 3 297.355 -1.142 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)Cn2cncn2)C1)C(N)=O ZINC000970653385 656016899 /nfs/dbraw/zinc/01/68/99/656016899.db2.gz KLOBPTBBQADBIE-DTWKUNHWSA-N 0 3 266.305 -1.658 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000970653725 656017043 /nfs/dbraw/zinc/01/70/43/656017043.db2.gz QKOVABMVCRKDJS-ZJUUUORDSA-N 0 3 278.316 -1.643 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC000970681825 656017466 /nfs/dbraw/zinc/01/74/66/656017466.db2.gz TYHZZABDJLYRRB-SNVBAGLBSA-N 0 3 278.312 -1.476 20 0 CAADHN Cn1nnnc1CN[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970719852 656017716 /nfs/dbraw/zinc/01/77/16/656017716.db2.gz MCAGTDFPIKHSAH-LLVKDONJSA-N 0 3 293.375 -1.004 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC000970670435 656017738 /nfs/dbraw/zinc/01/77/38/656017738.db2.gz GGVZKHMMQVCVPV-HTQZYQBOSA-N 0 3 297.315 -2.350 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C2CCN(C(N)=O)CC2)C1 ZINC000970677635 656017871 /nfs/dbraw/zinc/01/78/71/656017871.db2.gz UAWYUGAYDWQEAT-SNVBAGLBSA-N 0 3 297.359 -1.547 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1)C(N)=O ZINC000970725637 656017909 /nfs/dbraw/zinc/01/79/09/656017909.db2.gz HVKDMMNIGIDSQU-VXNVDRBHSA-N 0 3 293.327 -1.209 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC000970670436 656017938 /nfs/dbraw/zinc/01/79/38/656017938.db2.gz GGVZKHMMQVCVPV-SFYZADRCSA-N 0 3 297.315 -2.350 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)Cn2ccccc2=O)C1)C(N)=O ZINC000970681995 656017963 /nfs/dbraw/zinc/01/79/63/656017963.db2.gz WYJMKOCXXHNHDY-GHMZBOCLSA-N 0 3 292.339 -1.087 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C(N)=O ZINC000970662024 656018019 /nfs/dbraw/zinc/01/80/19/656018019.db2.gz QVFSDOLQWXEUCM-JGVFFNPUSA-N 0 3 297.315 -2.398 20 0 CAADHN O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@@H](NCCF)C1 ZINC000970742517 656018492 /nfs/dbraw/zinc/01/84/92/656018492.db2.gz ZPPJPWARPIWVDU-RKDXNWHRSA-N 0 3 279.337 -1.162 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1)C(N)=O ZINC000970819750 656018581 /nfs/dbraw/zinc/01/85/81/656018581.db2.gz RLCUVGMFLMDIPL-DTWKUNHWSA-N 0 3 295.343 -1.598 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)nc2)C1 ZINC000970859719 656018758 /nfs/dbraw/zinc/01/87/58/656018758.db2.gz LHRFJWCVXYLWBP-SECBINFHSA-N 0 3 291.311 -1.530 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 ZINC000970829673 656018990 /nfs/dbraw/zinc/01/89/90/656018990.db2.gz PPWAQPLDHOVCOJ-MRVPVSSYSA-N 0 3 291.311 -1.530 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001010802249 656019082 /nfs/dbraw/zinc/01/90/82/656019082.db2.gz FFAPYQPAXJCLAK-NSHDSACASA-N 0 3 296.371 -1.126 20 0 CAADHN O=C(Cn1ccnc1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000970856016 656019178 /nfs/dbraw/zinc/01/91/78/656019178.db2.gz DCDATRKSPNJTHP-GHMZBOCLSA-N 0 3 277.328 -1.038 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC000970893482 656019684 /nfs/dbraw/zinc/01/96/84/656019684.db2.gz IYDCPWLFGKFLPD-JGVFFNPUSA-N 0 3 282.300 -2.285 20 0 CAADHN C[C@@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)N1CCOCC1 ZINC000970888128 656019736 /nfs/dbraw/zinc/01/97/36/656019736.db2.gz SOOQVFITDDWZGX-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1)C(N)=O ZINC000970888245 656019771 /nfs/dbraw/zinc/01/97/71/656019771.db2.gz UDBZZGOJULKFBA-GRYCIOLGSA-N 0 3 298.387 -1.229 20 0 CAADHN O=C(CN[C@H]1C[C@@H](NC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001021760975 656021249 /nfs/dbraw/zinc/02/12/49/656021249.db2.gz OUDQETHTCZEMEV-PHIMTYICSA-N 0 3 294.355 -1.408 20 0 CAADHN CC(=O)N[C@H]1C[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001021747782 656021296 /nfs/dbraw/zinc/02/12/96/656021296.db2.gz BOWFMLOFXAWBLS-AOOOYVTPSA-N 0 3 268.317 -1.799 20 0 CAADHN Cn1nccc1CN[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001021817199 656022762 /nfs/dbraw/zinc/02/27/62/656022762.db2.gz YHNBSHJRMDSJDD-AOOOYVTPSA-N 0 3 290.331 -1.156 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2COCCO2)C1 ZINC001021850577 656023220 /nfs/dbraw/zinc/02/32/20/656023220.db2.gz JPCNBKFVRMIFSX-JFGNBEQYSA-N 0 3 295.343 -1.033 20 0 CAADHN O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)N1CCNCC1 ZINC000069145131 656023313 /nfs/dbraw/zinc/02/33/13/656023313.db2.gz WANXAAZYYRIFNK-SECBINFHSA-N 0 3 297.402 -1.697 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)C[C@@H]1CNCCO1 ZINC000091300919 656023561 /nfs/dbraw/zinc/02/35/61/656023561.db2.gz ZDCJGDYBKUMKKN-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)Cn2nccn2)C1 ZINC001022141152 656026461 /nfs/dbraw/zinc/02/64/61/656026461.db2.gz GJHXDDYCKGOAPE-AOOOYVTPSA-N 0 3 290.331 -1.156 20 0 CAADHN C[C@@H](N[C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1)C(N)=O ZINC001022134321 656026664 /nfs/dbraw/zinc/02/66/64/656026664.db2.gz UWBWJVLUUISGGP-VDAHYXPESA-N 0 3 289.357 -1.858 20 0 CAADHN C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1)C(N)=O ZINC001022256077 656027376 /nfs/dbraw/zinc/02/73/76/656027376.db2.gz RBSZFVDUAFSYOJ-PRJMDXOYSA-N 0 3 279.300 -1.094 20 0 CAADHN CN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926294877 656028887 /nfs/dbraw/zinc/02/88/87/656028887.db2.gz LEAWWQOHXJIDNJ-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CC[C@@H](C(=O)N1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1)N(C)C ZINC001022552435 656030768 /nfs/dbraw/zinc/03/07/68/656030768.db2.gz NGRASITUPJLVKY-GARJFASQSA-N 0 3 296.371 -1.129 20 0 CAADHN Cn1nnc(C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)n1 ZINC001022559456 656031168 /nfs/dbraw/zinc/03/11/68/656031168.db2.gz QDJXIBMBGCUUMA-OCAPTIKFSA-N 0 3 291.319 -1.611 20 0 CAADHN Cn1nnc(C(=O)N[C@H]2C[C@@H](NCc3ccnn3C)C2)n1 ZINC001022560982 656031291 /nfs/dbraw/zinc/03/12/91/656031291.db2.gz WWRYLXYPFWVGLK-DTORHVGOSA-N 0 3 290.331 -1.006 20 0 CAADHN CCN(CC)C(=O)CN(C)S(=O)(=O)N1CCNCC1 ZINC000040861474 656031303 /nfs/dbraw/zinc/03/13/03/656031303.db2.gz AVRXQQLTQQJKLV-UHFFFAOYSA-N 0 3 292.405 -1.063 20 0 CAADHN C[C@H]1OCCN(C(=O)C(=O)N2CCNCCNCC2)[C@@H]1C ZINC000926335605 656031657 /nfs/dbraw/zinc/03/16/57/656031657.db2.gz AOGQQRITDFHTLN-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H]1OCCN(C(=O)C(=O)N2CCNCCNCC2)[C@H]1C ZINC000926335604 656031862 /nfs/dbraw/zinc/03/18/62/656031862.db2.gz AOGQQRITDFHTLN-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001022633678 656032334 /nfs/dbraw/zinc/03/23/34/656032334.db2.gz PZFMNDOBJSHUOC-KNVOCYPGSA-N 0 3 252.278 -1.963 20 0 CAADHN Cc1nc([C@@H](C)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)n[nH]1 ZINC001022635855 656032994 /nfs/dbraw/zinc/03/29/94/656032994.db2.gz FFFKVJJUGFEORS-NJUXHZRNSA-N 0 3 266.305 -1.104 20 0 CAADHN NC(=O)C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(C3CC3)n2)C1 ZINC001022636062 656033200 /nfs/dbraw/zinc/03/32/00/656033200.db2.gz OVRTVYIGOYHHKR-OCAPTIKFSA-N 0 3 278.316 -1.096 20 0 CAADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926407683 656034611 /nfs/dbraw/zinc/03/46/11/656034611.db2.gz PCRNHMVBGSWMOW-LBPRGKRZSA-N 0 3 298.387 -1.763 20 0 CAADHN CN(CCc1cnn(C)c1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972211146 656034680 /nfs/dbraw/zinc/03/46/80/656034680.db2.gz DDOMEYRNOHKTSZ-LLVKDONJSA-N 0 3 279.344 -1.019 20 0 CAADHN CN(CCc1ccnn1C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972211788 656034737 /nfs/dbraw/zinc/03/47/37/656034737.db2.gz ILSHZOGGIAWWJI-NSHDSACASA-N 0 3 279.344 -1.019 20 0 CAADHN Cn1ncnc1CN[C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001022868934 656038642 /nfs/dbraw/zinc/03/86/42/656038642.db2.gz DCABTSIUYHAZQU-OCAPTIKFSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1ncnc1CN[C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001022868934 656038644 /nfs/dbraw/zinc/03/86/44/656038644.db2.gz DCABTSIUYHAZQU-OCAPTIKFSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1ncnc1CN[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001022868934 656038646 /nfs/dbraw/zinc/03/86/46/656038646.db2.gz DCABTSIUYHAZQU-OCAPTIKFSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1ncc(CN[C@H]2C[C@@H](NC(=O)c3nnc[nH]3)C2)n1 ZINC001022866936 656038758 /nfs/dbraw/zinc/03/87/58/656038758.db2.gz QTBADYZIZNHQGX-OCAPTIKFSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1ncc(CN[C@H]2C[C@@H](NC(=O)c3ncn[nH]3)C2)n1 ZINC001022866936 656038760 /nfs/dbraw/zinc/03/87/60/656038760.db2.gz QTBADYZIZNHQGX-OCAPTIKFSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1ncc(CN[C@H]2C[C@@H](NC(=O)c3nc[nH]n3)C2)n1 ZINC001022866936 656038763 /nfs/dbraw/zinc/03/87/63/656038763.db2.gz QTBADYZIZNHQGX-OCAPTIKFSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1nnnc1CN[C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001022868996 656038787 /nfs/dbraw/zinc/03/87/87/656038787.db2.gz GTDWIBVBCAIVCO-KNVOCYPGSA-N 0 3 277.292 -1.621 20 0 CAADHN Cn1nnnc1CN[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001022868996 656038789 /nfs/dbraw/zinc/03/87/89/656038789.db2.gz GTDWIBVBCAIVCO-KNVOCYPGSA-N 0 3 277.292 -1.621 20 0 CAADHN CN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)Cc3nnc[n-]3)C2)C1=O ZINC001022956062 656040177 /nfs/dbraw/zinc/04/01/77/656040177.db2.gz NRFCIXWQNHCDGE-AEJSXWLSSA-N 0 3 292.343 -1.185 20 0 CAADHN Cn1nnnc1CN[C@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001022953372 656040362 /nfs/dbraw/zinc/04/03/62/656040362.db2.gz PCCVEMPTPJNMKZ-OCAPTIKFSA-N 0 3 291.319 -1.692 20 0 CAADHN CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001022956300 656040506 /nfs/dbraw/zinc/04/05/06/656040506.db2.gz ZZJCLUKTXNXLCA-HRDYMLBCSA-N 0 3 280.332 -1.152 20 0 CAADHN CC[C@H](O)CCNS(=O)(=O)N1CCNCC1 ZINC000218861252 656040561 /nfs/dbraw/zinc/04/05/61/656040561.db2.gz UBKKHGGNJNSOMS-VIFPVBQESA-N 0 3 251.352 -1.113 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)Cn2cncn2)C1 ZINC001023059613 656041799 /nfs/dbraw/zinc/04/17/99/656041799.db2.gz OPINVMJWWWBPPV-AOOOYVTPSA-N 0 3 290.331 -1.156 20 0 CAADHN NC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001023112209 656042650 /nfs/dbraw/zinc/04/26/50/656042650.db2.gz XJXDQWWMXGPEBI-YIZRAAEISA-N 0 3 289.357 -1.714 20 0 CAADHN NC(=O)C(=O)N1CC[C@@]2(C1)CN(C[C@@H]1CCOC1)CCO2 ZINC000972534170 656044251 /nfs/dbraw/zinc/04/42/51/656044251.db2.gz JXHNULSFYTXPBS-FZMZJTMJSA-N 0 3 297.355 -1.189 20 0 CAADHN NC(=O)C(=O)N1CC[C@]2(C1)CN(C[C@H]1CCOC1)CCO2 ZINC000972534169 656044299 /nfs/dbraw/zinc/04/42/99/656044299.db2.gz JXHNULSFYTXPBS-BXUZGUMPSA-N 0 3 297.355 -1.189 20 0 CAADHN NC(=O)C(=O)N1CC[C@]2(C1)CN(C[C@@H]1CCOC1)CCO2 ZINC000972534174 656044364 /nfs/dbraw/zinc/04/43/64/656044364.db2.gz JXHNULSFYTXPBS-SMDDNHRTSA-N 0 3 297.355 -1.189 20 0 CAADHN NC(=O)C(=O)N1CC[C@@]2(C1)CN(C[C@H]1CCOC1)CCO2 ZINC000972534172 656044573 /nfs/dbraw/zinc/04/45/73/656044573.db2.gz JXHNULSFYTXPBS-RISCZKNCSA-N 0 3 297.355 -1.189 20 0 CAADHN C[C@@H](O)CN1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972792567 656050583 /nfs/dbraw/zinc/05/05/83/656050583.db2.gz BCAOWXFNABMTQY-ZJUUUORDSA-N 0 3 282.348 -1.120 20 0 CAADHN C[C@H](O)CN1C[C@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972792565 656050679 /nfs/dbraw/zinc/05/06/79/656050679.db2.gz BCAOWXFNABMTQY-UWVGGRQHSA-N 0 3 282.348 -1.120 20 0 CAADHN C[C@H](O)CN1C[C@@H](NC(=O)Cn2cnnn2)C(C)(C)C1 ZINC000972792566 656050758 /nfs/dbraw/zinc/05/07/58/656050758.db2.gz BCAOWXFNABMTQY-VHSXEESVSA-N 0 3 282.348 -1.120 20 0 CAADHN O=C(NC[C@H]1CCCCN1CCO)[C@H]1CNC(=O)N1 ZINC001024628554 656054117 /nfs/dbraw/zinc/05/41/17/656054117.db2.gz SBXKJUVMOFLKPO-NXEZZACHSA-N 0 3 270.333 -1.369 20 0 CAADHN CC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001024958726 656055833 /nfs/dbraw/zinc/05/58/33/656055833.db2.gz VNVYQSBSIOGZOL-GHMZBOCLSA-N 0 3 266.301 -1.032 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@@H]1CN[C@H]1CCNC1=O ZINC001025064090 656056806 /nfs/dbraw/zinc/05/68/06/656056806.db2.gz MNQBASMCQNBXJH-BDAKNGLRSA-N 0 3 268.317 -1.669 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@@H]1CN[C@@H]1CCCNC1=O ZINC001025063839 656057110 /nfs/dbraw/zinc/05/71/10/656057110.db2.gz LBPMLRKSTCZXPN-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN CC(=O)N1CC[C@H](NCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC001018385216 656059285 /nfs/dbraw/zinc/05/92/85/656059285.db2.gz VVHVBAOAVVXWST-LBPRGKRZSA-N 0 3 296.371 -1.079 20 0 CAADHN CC1(C)CNC(=O)[C@H]1NC[C@@]12COCCN1C(=O)COC2 ZINC000926804862 656060030 /nfs/dbraw/zinc/06/00/30/656060030.db2.gz XPMQZXZDMKZTCW-RISCZKNCSA-N 0 3 297.355 -1.272 20 0 CAADHN CC1(C)CNC(=O)[C@@H]1NC[C@@]12COCCN1C(=O)COC2 ZINC000926804861 656060146 /nfs/dbraw/zinc/06/01/46/656060146.db2.gz XPMQZXZDMKZTCW-FZMZJTMJSA-N 0 3 297.355 -1.272 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001018800450 656062546 /nfs/dbraw/zinc/06/25/46/656062546.db2.gz PDTLFPFTCCERIR-JBLDHEPKSA-N 0 3 297.355 -1.001 20 0 CAADHN CN(C)[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001025382762 656062800 /nfs/dbraw/zinc/06/28/00/656062800.db2.gz HDMVWCYAFHGZPM-BBBLOLIVSA-N 0 3 298.343 -2.500 20 0 CAADHN CN(C)[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC001025382767 656062866 /nfs/dbraw/zinc/06/28/66/656062866.db2.gz HDMVWCYAFHGZPM-OPRDCNLKSA-N 0 3 298.343 -2.500 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025383322 656063373 /nfs/dbraw/zinc/06/33/73/656063373.db2.gz XBUILOSJXKTJKZ-OPRDCNLKSA-N 0 3 298.343 -2.356 20 0 CAADHN CN(CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)C1CCC1 ZINC001025386490 656063697 /nfs/dbraw/zinc/06/36/97/656063697.db2.gz CPNJUBOQAUOGCS-NXEZZACHSA-N 0 3 298.343 -2.356 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000935981625 656065186 /nfs/dbraw/zinc/06/51/86/656065186.db2.gz SHLBFCDTSYOWEC-SFYZADRCSA-N 0 3 257.290 -1.922 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1)C(N)=O ZINC001019247806 656065221 /nfs/dbraw/zinc/06/52/21/656065221.db2.gz IOTIXIUNZUKVGY-GUBZILKMSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CN2CCCNC2=O)C1)C(N)=O ZINC001019086018 656065238 /nfs/dbraw/zinc/06/52/38/656065238.db2.gz HLJSAHHFSKCIOH-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN O=C([C@@H]1CSCC(=O)N1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000935982131 656065314 /nfs/dbraw/zinc/06/53/14/656065314.db2.gz BKYAOSPDRYWTAM-AXFHLTTASA-N 0 3 299.396 -1.115 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001025708993 656066580 /nfs/dbraw/zinc/06/65/80/656066580.db2.gz DVPPXJGHUYVXMU-KNDBQHFLSA-N 0 3 292.339 -1.800 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@H]1COCCO1 ZINC001025686065 656066669 /nfs/dbraw/zinc/06/66/69/656066669.db2.gz HWZNIBQRHJNSLG-RNWYCLNJSA-N 0 3 295.339 -1.663 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001025706224 656066780 /nfs/dbraw/zinc/06/67/80/656066780.db2.gz RIWISYVVMAFVKP-OGBGREFGSA-N 0 3 268.313 -1.166 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CCOC1 ZINC001025698699 656066852 /nfs/dbraw/zinc/06/68/52/656066852.db2.gz BKMARVVXOQAQMU-PREPNJAASA-N 0 3 279.340 -1.042 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@H]1COC(=O)N1 ZINC001025764384 656067915 /nfs/dbraw/zinc/06/79/15/656067915.db2.gz RNDXIMPZAWPCSS-KGDYZURWSA-N 0 3 294.311 -1.970 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@]12C[C@H]1COC2 ZINC001025797526 656068341 /nfs/dbraw/zinc/06/83/41/656068341.db2.gz CDNPAJOGXZFMMI-PEZSEORZSA-N 0 3 291.351 -1.042 20 0 CAADHN C[C@@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC(=O)N1 ZINC001025847923 656068581 /nfs/dbraw/zinc/06/85/81/656068581.db2.gz BRSFBZSCKBDNMF-OQEOFVATSA-N 0 3 281.356 -1.060 20 0 CAADHN O=C(CNC(=O)C(=O)NC1CC1)NCCN1CCCCC1 ZINC000909324089 656068589 /nfs/dbraw/zinc/06/85/89/656068589.db2.gz WQYVVWPOWQVBHW-UHFFFAOYSA-N 0 3 296.371 -1.017 20 0 CAADHN CN1CC[C@H](N[C@H]2CCN(C(=O)Cn3cncn3)C2)C1=O ZINC001019746518 656068724 /nfs/dbraw/zinc/06/87/24/656068724.db2.gz FENDSOMJPMVOCJ-QWRGUYRKSA-N 0 3 292.343 -1.301 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019745708 656068738 /nfs/dbraw/zinc/06/87/38/656068738.db2.gz QKOVABMVCRKDJS-VHSXEESVSA-N 0 3 278.316 -1.643 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cccc(C(N)=O)n2)C1 ZINC001019842962 656068830 /nfs/dbraw/zinc/06/88/30/656068830.db2.gz PPWAQPLDHOVCOJ-QMMMGPOBSA-N 0 3 291.311 -1.530 20 0 CAADHN CC(C)C(=O)N[C@H]1C[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001019994228 656069063 /nfs/dbraw/zinc/06/90/63/656069063.db2.gz KXBDNQUDYKCGRR-XYPYZODXSA-N 0 3 296.371 -1.162 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CCNC1=O ZINC001025939483 656070370 /nfs/dbraw/zinc/07/03/70/656070370.db2.gz MELYUCVHFLSLEA-NZFPMDFQSA-N 0 3 292.339 -1.943 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CNC(=O)N1 ZINC001025994659 656070627 /nfs/dbraw/zinc/07/06/27/656070627.db2.gz YKVKWSUWWUYOCD-ZOZBQHSOSA-N 0 3 293.327 -2.397 20 0 CAADHN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001026061616 656071071 /nfs/dbraw/zinc/07/10/71/656071071.db2.gz PKJBVHYSYNHFJH-IIEKFROSSA-N 0 3 281.356 -1.060 20 0 CAADHN C[C@H](C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001026061635 656071299 /nfs/dbraw/zinc/07/12/99/656071299.db2.gz PKJBVHYSYNHFJH-ZTVLKNOQSA-N 0 3 281.356 -1.060 20 0 CAADHN C[C@H](C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001026061617 656071364 /nfs/dbraw/zinc/07/13/64/656071364.db2.gz PKJBVHYSYNHFJH-XPORZQOISA-N 0 3 281.356 -1.060 20 0 CAADHN Cn1cc(C2=NC[C@@H](CNC(CO)CO)O2)cn1 ZINC000930626771 656072957 /nfs/dbraw/zinc/07/29/57/656072957.db2.gz ZFOXKHFHSPIZAX-SNVBAGLBSA-N 0 3 254.290 -1.492 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cn[n-]n3)C[C@@H]12 ZINC001026302293 656073088 /nfs/dbraw/zinc/07/30/88/656073088.db2.gz MARKAHHOAGPXAQ-IWSPIJDZSA-N 0 3 278.316 -1.270 20 0 CAADHN Cn1ncnc1CN[C@@H]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]12 ZINC001026345357 656073278 /nfs/dbraw/zinc/07/32/78/656073278.db2.gz FPPHPBHCRANBNR-OPRDCNLKSA-N 0 3 292.343 -1.373 20 0 CAADHN Cn1ncnc1CN[C@@H]1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001026345354 656073403 /nfs/dbraw/zinc/07/34/03/656073403.db2.gz FPPHPBHCRANBNR-IVZWLZJFSA-N 0 3 292.343 -1.373 20 0 CAADHN Cn1cnnc1CN[C@@H]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@H]12 ZINC001026347555 656073425 /nfs/dbraw/zinc/07/34/25/656073425.db2.gz XWFURIFRHGIFQM-KXUCPTDWSA-N 0 3 292.343 -1.373 20 0 CAADHN Cn1cnnc1CN[C@@H]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]12 ZINC001026347557 656073623 /nfs/dbraw/zinc/07/36/23/656073623.db2.gz XWFURIFRHGIFQM-OPRDCNLKSA-N 0 3 292.343 -1.373 20 0 CAADHN Cn1ncnc1CN[C@@H]1CC[C@@H]2CN(C(=O)C(N)=O)C[C@H]12 ZINC001026345355 656073760 /nfs/dbraw/zinc/07/37/60/656073760.db2.gz FPPHPBHCRANBNR-KXUCPTDWSA-N 0 3 292.343 -1.373 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3nc[n-]n3)C[C@@H]21 ZINC001026380008 656073882 /nfs/dbraw/zinc/07/38/82/656073882.db2.gz LKZQLYRRKTYMNB-XHNCKOQMSA-N 0 3 278.316 -1.270 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3nc[n-]n3)C[C@H]21 ZINC001026380005 656074054 /nfs/dbraw/zinc/07/40/54/656074054.db2.gz LKZQLYRRKTYMNB-DJLDLDEBSA-N 0 3 278.316 -1.270 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(N)=O)CCN1CCn1cncn1 ZINC000947679130 656074572 /nfs/dbraw/zinc/07/45/72/656074572.db2.gz GDPPTVKECOIIBD-NXEZZACHSA-N 0 3 280.332 -1.268 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCCN(C[C@@H]2CCNC(=O)CC2)C1 ZINC001008371632 656075691 /nfs/dbraw/zinc/07/56/91/656075691.db2.gz LWDHTDGGSSDCLY-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC000974349454 656075741 /nfs/dbraw/zinc/07/57/41/656075741.db2.gz IGVMZMPQYGPGEM-OCAPTIKFSA-N 0 3 279.300 -1.491 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCCN(C[C@H]2CCNC(=O)CC2)C1 ZINC001008371629 656076049 /nfs/dbraw/zinc/07/60/49/656076049.db2.gz LWDHTDGGSSDCLY-MNOVXSKESA-N 0 3 296.371 -1.031 20 0 CAADHN O=C(c1cn[n-]n1)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001026935688 656078664 /nfs/dbraw/zinc/07/86/64/656078664.db2.gz RHVHBKSHOHNSRR-DTWKUNHWSA-N 0 3 278.316 -1.255 20 0 CAADHN Cn1cnn(CC(=O)N[C@H]2CN(CCO)CC2(C)C)c1=O ZINC000974760086 656078767 /nfs/dbraw/zinc/07/87/67/656078767.db2.gz OLECOVIPKBWZOR-JTQLQIEISA-N 0 3 297.359 -1.599 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2CN(CCO)CC2(C)C)c1=O ZINC000974760091 656078818 /nfs/dbraw/zinc/07/88/18/656078818.db2.gz OLECOVIPKBWZOR-SNVBAGLBSA-N 0 3 297.359 -1.599 20 0 CAADHN C[C@@H](NC[C@@H]1CCN(C(=O)C(N)=O)C1)c1nncn1C ZINC001027033917 656079100 /nfs/dbraw/zinc/07/91/00/656079100.db2.gz REMHMNGBXKOXQV-BDAKNGLRSA-N 0 3 280.332 -1.201 20 0 CAADHN COc1cncc(CNC[C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001027033007 656079109 /nfs/dbraw/zinc/07/91/09/656079109.db2.gz FFGFCCWSLJXQEX-SECBINFHSA-N 0 3 293.327 -1.091 20 0 CAADHN COc1ccc(CNC[C@@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001027033461 656079155 /nfs/dbraw/zinc/07/91/55/656079155.db2.gz IBHAOFZBNNUGOG-VIFPVBQESA-N 0 3 293.327 -1.091 20 0 CAADHN COc1ccc(CNC[C@H]2CCN(C(=O)C(N)=O)C2)nn1 ZINC001027033460 656079361 /nfs/dbraw/zinc/07/93/61/656079361.db2.gz IBHAOFZBNNUGOG-SECBINFHSA-N 0 3 293.327 -1.091 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027129628 656080929 /nfs/dbraw/zinc/08/09/29/656080929.db2.gz FGQLLYZMQHHSLX-BDAKNGLRSA-N 0 3 278.316 -1.255 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000976928324 656084866 /nfs/dbraw/zinc/08/48/66/656084866.db2.gz SJHITFKSTGBSKC-VROVMSAKSA-N 0 3 291.311 -1.681 20 0 CAADHN C[C@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000977091793 656086433 /nfs/dbraw/zinc/08/64/33/656086433.db2.gz LAGNDCIGSFPQTQ-UXCLJVHYSA-N 0 3 294.355 -1.614 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC000977197016 656088352 /nfs/dbraw/zinc/08/83/52/656088352.db2.gz OZSDKCZEABAKSA-SVDPJWKOSA-N 0 3 294.355 -1.471 20 0 CAADHN C[C@@H](NCc1cnn(C)c1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979365722 656094599 /nfs/dbraw/zinc/09/45/99/656094599.db2.gz ZPCALCUPWWKYKK-MWLCHTKSSA-N 0 3 295.343 -1.389 20 0 CAADHN C[C@H](NCc1cncn1C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979356706 656094678 /nfs/dbraw/zinc/09/46/78/656094678.db2.gz JCNWNOUNMSLLIB-ONGXEEELSA-N 0 3 295.343 -1.389 20 0 CAADHN C[C@@H](NCc1cnn(C)c1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979365721 656094795 /nfs/dbraw/zinc/09/47/95/656094795.db2.gz ZPCALCUPWWKYKK-KOLCDFICSA-N 0 3 295.343 -1.389 20 0 CAADHN C[C@H](NCc1cnn(C)c1)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979365723 656094955 /nfs/dbraw/zinc/09/49/55/656094955.db2.gz ZPCALCUPWWKYKK-ONGXEEELSA-N 0 3 295.343 -1.389 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@H]1COC(=O)N1 ZINC001027861459 656097173 /nfs/dbraw/zinc/09/71/73/656097173.db2.gz XRYWQRGKQCLYJP-DTWKUNHWSA-N 0 3 257.290 -1.332 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@H]1COC(=O)N1 ZINC001027861461 656097217 /nfs/dbraw/zinc/09/72/17/656097217.db2.gz XRYWQRGKQCLYJP-RKDXNWHRSA-N 0 3 257.290 -1.332 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@@H]1COC(=O)N1 ZINC001027861458 656097462 /nfs/dbraw/zinc/09/74/62/656097462.db2.gz XRYWQRGKQCLYJP-BDAKNGLRSA-N 0 3 257.290 -1.332 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@@H]1COC(=O)N1 ZINC001027861460 656097508 /nfs/dbraw/zinc/09/75/08/656097508.db2.gz XRYWQRGKQCLYJP-IUCAKERBSA-N 0 3 257.290 -1.332 20 0 CAADHN NC(=O)CN1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980168843 656097835 /nfs/dbraw/zinc/09/78/35/656097835.db2.gz VKJMOKCOYQXEFU-YIZRAAEISA-N 0 3 268.317 -1.826 20 0 CAADHN NC(=O)CN1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980168832 656098124 /nfs/dbraw/zinc/09/81/24/656098124.db2.gz VKJMOKCOYQXEFU-CIUDSAMLSA-N 0 3 268.317 -1.826 20 0 CAADHN Cn1cnc(C(=O)NC[C@H]2CCCN2CCO)cc1=O ZINC001027943979 656099342 /nfs/dbraw/zinc/09/93/42/656099342.db2.gz QZXRDUKTRNJOPF-SNVBAGLBSA-N 0 3 280.328 -1.033 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H]2CCCN2CCO)cc1=O ZINC001027943978 656099652 /nfs/dbraw/zinc/09/96/52/656099652.db2.gz QZXRDUKTRNJOPF-JTQLQIEISA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981015835 656102008 /nfs/dbraw/zinc/10/20/08/656102008.db2.gz JJYBENKUQPCLRL-JTQLQIEISA-N 0 3 283.332 -1.101 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)NC[C@H]2CCCN2CCO)c1=O ZINC001028069842 656103197 /nfs/dbraw/zinc/10/31/97/656103197.db2.gz QZDRHXCPLFNRSZ-SECBINFHSA-N 0 3 296.327 -1.328 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@@H]1CCNC1=O ZINC001028072819 656103532 /nfs/dbraw/zinc/10/35/32/656103532.db2.gz NUIBPKWTJVOEIW-NXEZZACHSA-N 0 3 255.318 -1.305 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@@H]1CCNC1=O ZINC001028072822 656103623 /nfs/dbraw/zinc/10/36/23/656103623.db2.gz NUIBPKWTJVOEIW-VHSXEESVSA-N 0 3 255.318 -1.305 20 0 CAADHN Cn1cc(CN[C@@H]2CCC[C@H](NC(=O)C(N)=O)C2)nn1 ZINC000981303296 656104029 /nfs/dbraw/zinc/10/40/29/656104029.db2.gz KEKAFUTYPFEQSK-BDAKNGLRSA-N 0 3 280.332 -1.183 20 0 CAADHN NC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC000981447767 656104528 /nfs/dbraw/zinc/10/45/28/656104528.db2.gz NAPJMKWMGFHVMP-DTWKUNHWSA-N 0 3 280.332 -1.151 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC000981447758 656104611 /nfs/dbraw/zinc/10/46/11/656104611.db2.gz NAPJMKWMGFHVMP-BDAKNGLRSA-N 0 3 280.332 -1.151 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)CN2CCOCC2=O)CC1 ZINC000981344636 656104923 /nfs/dbraw/zinc/10/49/23/656104923.db2.gz AWSFDSOQPUYUSK-GFCCVEGCSA-N 0 3 299.371 -1.240 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@H]1CNC(=O)N1 ZINC001028109960 656105417 /nfs/dbraw/zinc/10/54/17/656105417.db2.gz QFOLFRZIOHEPJT-RKDXNWHRSA-N 0 3 256.306 -1.759 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@@H]1CNC(=O)N1 ZINC001028109957 656105894 /nfs/dbraw/zinc/10/58/94/656105894.db2.gz QFOLFRZIOHEPJT-BDAKNGLRSA-N 0 3 256.306 -1.759 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)c1c[nH]c(=O)cn1 ZINC001028104796 656105913 /nfs/dbraw/zinc/10/59/13/656105913.db2.gz MONBUAFWGVYBDX-SECBINFHSA-N 0 3 266.301 -1.044 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028111836 656106332 /nfs/dbraw/zinc/10/63/32/656106332.db2.gz YSONQSYJPSEQHK-UWVGGRQHSA-N 0 3 270.333 -1.105 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028111839 656106720 /nfs/dbraw/zinc/10/67/20/656106720.db2.gz YSONQSYJPSEQHK-VHSXEESVSA-N 0 3 270.333 -1.105 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000981751069 656107269 /nfs/dbraw/zinc/10/72/69/656107269.db2.gz MMQZPRUWJQNJDQ-QWRGUYRKSA-N 0 3 284.360 -1.075 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981852849 656107678 /nfs/dbraw/zinc/10/76/78/656107678.db2.gz INSZIYFENIOEQK-UWVGGRQHSA-N 0 3 270.333 -1.417 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN2CCO)O1 ZINC001028134399 656107836 /nfs/dbraw/zinc/10/78/36/656107836.db2.gz UQLILAASFCUDQW-OUAUKWLOSA-N 0 3 285.344 -1.408 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981852850 656108484 /nfs/dbraw/zinc/10/84/84/656108484.db2.gz INSZIYFENIOEQK-VHSXEESVSA-N 0 3 270.333 -1.417 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@@H]1CC(=O)NC(=O)N1 ZINC001028171427 656109187 /nfs/dbraw/zinc/10/91/87/656109187.db2.gz GRFGITNHJOJNNM-IUCAKERBSA-N 0 3 284.316 -1.843 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1CC2(C1)CCCN(CCO)C2 ZINC000981976357 656109356 /nfs/dbraw/zinc/10/93/56/656109356.db2.gz QTRGUDGWXUDKOP-JTQLQIEISA-N 0 3 282.344 -1.416 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000982043849 656110660 /nfs/dbraw/zinc/11/06/60/656110660.db2.gz ZADCPVZWOMYDEL-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)c1cc[n+]([O-])cc1 ZINC000958165853 656110688 /nfs/dbraw/zinc/11/06/88/656110688.db2.gz TXQCLOBKRHUSJJ-GDNZZTSVSA-N 0 3 263.297 -1.028 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)nn1 ZINC000958036768 656110761 /nfs/dbraw/zinc/11/07/61/656110761.db2.gz UDTHXKQEOYGMLP-WCBMZHEXSA-N 0 3 269.305 -2.170 20 0 CAADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CCCN(CCCO)CC1 ZINC000982044993 656111068 /nfs/dbraw/zinc/11/10/68/656111068.db2.gz FSIFWIHSKRUZRX-JTQLQIEISA-N 0 3 298.343 -1.499 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)nn1 ZINC000958036769 656111174 /nfs/dbraw/zinc/11/11/74/656111174.db2.gz UDTHXKQEOYGMLP-WPRPVWTQSA-N 0 3 269.305 -2.170 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@@H]1CCC(=O)N1 ZINC001028272782 656111820 /nfs/dbraw/zinc/11/18/20/656111820.db2.gz HJAWIGPNZARBJI-ZJUUUORDSA-N 0 3 255.318 -1.162 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)NC[C@@H]2CCCN2CCO)C1 ZINC001028294793 656112731 /nfs/dbraw/zinc/11/27/31/656112731.db2.gz IJYWGHBHEASDLE-STQMWFEESA-N 0 3 299.371 -1.193 20 0 CAADHN Cn1nc(C(=O)NC[C@@H]2CCCN2CCO)ccc1=O ZINC001028304635 656112871 /nfs/dbraw/zinc/11/28/71/656112871.db2.gz WCGPBSJHCJFSER-JTQLQIEISA-N 0 3 280.328 -1.033 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)NC[C@H]1CCCN1CCO ZINC001028326271 656113093 /nfs/dbraw/zinc/11/30/93/656113093.db2.gz KIOHDUXECMKOAG-CHWSQXEVSA-N 0 3 299.371 -1.193 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)NC[C@H]1CCCN1CCO ZINC001028326272 656113280 /nfs/dbraw/zinc/11/32/80/656113280.db2.gz KIOHDUXECMKOAG-OLZOCXBDSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@H]1CCS(=O)(=O)N1 ZINC001028324993 656113468 /nfs/dbraw/zinc/11/34/68/656113468.db2.gz GMEACQAQPLEPKA-VHSXEESVSA-N 0 3 291.373 -1.749 20 0 CAADHN CC(=O)NC[C@H]1CCN(C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001028359717 656114183 /nfs/dbraw/zinc/11/41/83/656114183.db2.gz UTKIUQKLHRGICP-NEPJUHHUSA-N 0 3 297.355 -1.046 20 0 CAADHN CC(=O)NC[C@@H]1CCN(C[C@H](O)CN2C(=O)CCC2=O)C1 ZINC001028359719 656114246 /nfs/dbraw/zinc/11/42/46/656114246.db2.gz UTKIUQKLHRGICP-RYUDHWBXSA-N 0 3 297.355 -1.046 20 0 CAADHN COC[C@H]1COCCN1S(=O)(=O)N1CCNCC1 ZINC000923746427 656114965 /nfs/dbraw/zinc/11/49/65/656114965.db2.gz MYISJRRBZGKBAL-JTQLQIEISA-N 0 3 279.362 -1.516 20 0 CAADHN CO[C@@H]1COC[C@@H]1N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924929702 656118294 /nfs/dbraw/zinc/11/82/94/656118294.db2.gz CJGXSPAMZBWEBP-HRDYMLBCSA-N 0 3 257.290 -1.118 20 0 CAADHN CN(C)C[C@H]1NC(=O)N([C@H]2CCC(=O)N(C)C2=O)C1=O ZINC000924951877 656118809 /nfs/dbraw/zinc/11/88/09/656118809.db2.gz STEILSQUESFVPD-SFYZADRCSA-N 0 3 282.300 -1.384 20 0 CAADHN CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2[n-]nnc2C)C1 ZINC001028727337 656119922 /nfs/dbraw/zinc/11/99/22/656119922.db2.gz CSCOBOBZAJSNRE-SECBINFHSA-N 0 3 280.332 -1.089 20 0 CAADHN CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2[n-]nnc2C)C1 ZINC001028727337 656119925 /nfs/dbraw/zinc/11/99/25/656119925.db2.gz CSCOBOBZAJSNRE-SECBINFHSA-N 0 3 280.332 -1.089 20 0 CAADHN CNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)c2[n-]nnc2C)C1 ZINC001028727338 656120264 /nfs/dbraw/zinc/12/02/64/656120264.db2.gz CSCOBOBZAJSNRE-VIFPVBQESA-N 0 3 280.332 -1.089 20 0 CAADHN CNC(=O)C[N@H+]1CC[C@@H](CNC(=O)c2[n-]nnc2C)C1 ZINC001028727338 656120267 /nfs/dbraw/zinc/12/02/67/656120267.db2.gz CSCOBOBZAJSNRE-VIFPVBQESA-N 0 3 280.332 -1.089 20 0 CAADHN CCON(C)C(=O)CN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924966580 656121174 /nfs/dbraw/zinc/12/11/74/656121174.db2.gz FOIICSKZKAONDZ-QMMMGPOBSA-N 0 3 272.305 -1.122 20 0 CAADHN CN(CCO)CCNC(=O)CNC(=O)N1CCCC1 ZINC000924995834 656122213 /nfs/dbraw/zinc/12/22/13/656122213.db2.gz JRJMQAKABPDTBL-UHFFFAOYSA-N 0 3 272.349 -1.168 20 0 CAADHN CN(CCO)CCNC(=O)c1nc2n(n1)CCCN2 ZINC000924996765 656122501 /nfs/dbraw/zinc/12/25/01/656122501.db2.gz BVDYDAXZPFXECB-UHFFFAOYSA-N 0 3 268.321 -1.995 20 0 CAADHN CON(C)C(=O)[C@H](C)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000925027557 656122769 /nfs/dbraw/zinc/12/27/69/656122769.db2.gz KVWZCWZQOILIBB-JGVFFNPUSA-N 0 3 272.305 -1.123 20 0 CAADHN O=C(NC[C@H]1CCN([C@H]2CCNC2=O)C1)c1nnc[nH]1 ZINC001028877101 656122839 /nfs/dbraw/zinc/12/28/39/656122839.db2.gz PGOSOOZMBXEAAP-BDAKNGLRSA-N 0 3 278.316 -1.255 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001028877033 656122907 /nfs/dbraw/zinc/12/29/07/656122907.db2.gz NAYZCTRQBXDDEV-HTQZYQBOSA-N 0 3 266.305 -1.270 20 0 CAADHN O=C(NC[C@H]1CCN([C@@H]2CCNC2=O)C1)c1nnc[nH]1 ZINC001028877104 656123087 /nfs/dbraw/zinc/12/30/87/656123087.db2.gz PGOSOOZMBXEAAP-RKDXNWHRSA-N 0 3 278.316 -1.255 20 0 CAADHN O=C(NC[C@@H]1CCN([C@H]2CCNC2=O)C1)c1nnc[nH]1 ZINC001028877103 656123110 /nfs/dbraw/zinc/12/31/10/656123110.db2.gz PGOSOOZMBXEAAP-IUCAKERBSA-N 0 3 278.316 -1.255 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@H]2CCN(CC(N)=O)C2)C1 ZINC001028996940 656123563 /nfs/dbraw/zinc/12/35/63/656123563.db2.gz MHGKFDLYMSLVNQ-NEPJUHHUSA-N 0 3 298.387 -1.370 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@@H]2CCN(CC(N)=O)C2)C1 ZINC001028996942 656124120 /nfs/dbraw/zinc/12/41/20/656124120.db2.gz MHGKFDLYMSLVNQ-RYUDHWBXSA-N 0 3 298.387 -1.370 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCN1C ZINC000928440534 656124664 /nfs/dbraw/zinc/12/46/64/656124664.db2.gz BIEJCYXKYRNJFE-SCZZXKLOSA-N 0 3 280.328 -1.094 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CCN1C ZINC000928447838 656124765 /nfs/dbraw/zinc/12/47/65/656124765.db2.gz LOEBYEBPGYGMHU-SFYZADRCSA-N 0 3 282.300 -1.384 20 0 CAADHN C[C@H]1[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCN1C ZINC000928440537 656124789 /nfs/dbraw/zinc/12/47/89/656124789.db2.gz BIEJCYXKYRNJFE-WPRPVWTQSA-N 0 3 280.328 -1.094 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CCN1C ZINC000928437653 656124806 /nfs/dbraw/zinc/12/48/06/656124806.db2.gz RTFIALLMLUMGOI-BDAKNGLRSA-N 0 3 278.378 -1.409 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928438136 656125018 /nfs/dbraw/zinc/12/50/18/656125018.db2.gz SOUGJOQPKOUIFL-SFYZADRCSA-N 0 3 264.351 -1.751 20 0 CAADHN C[C@H]1[C@H](NC(=O)CNS(=O)(=O)N(C)C)CCN1C ZINC000928437655 656125038 /nfs/dbraw/zinc/12/50/38/656125038.db2.gz RTFIALLMLUMGOI-DTWKUNHWSA-N 0 3 278.378 -1.409 20 0 CAADHN CN(CCS(C)(=O)=O)C(=O)COC1(C)CNC1 ZINC000098060974 656126246 /nfs/dbraw/zinc/12/62/46/656126246.db2.gz FMLFIOMKNAPUHA-UHFFFAOYSA-N 0 3 264.347 -1.132 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001012313226 656126786 /nfs/dbraw/zinc/12/67/86/656126786.db2.gz DCVMHDOQJGVRJM-JTQLQIEISA-N 0 3 282.344 -1.516 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001012313229 656127134 /nfs/dbraw/zinc/12/71/34/656127134.db2.gz DCVMHDOQJGVRJM-SNVBAGLBSA-N 0 3 282.344 -1.516 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@@H]2COC(=O)C2)C1 ZINC000923747939 656128306 /nfs/dbraw/zinc/12/83/06/656128306.db2.gz ZINKPXVKSFIDEZ-GZMMTYOYSA-N 0 3 257.290 -1.332 20 0 CAADHN Cn1ccnc1CNC[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC000984726224 656129084 /nfs/dbraw/zinc/12/90/84/656129084.db2.gz SHJHJUQDGASKQT-KYZUINATSA-N 0 3 265.317 -1.110 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CS(C)(=O)=O ZINC000986040544 656135351 /nfs/dbraw/zinc/13/53/51/656135351.db2.gz KTUYLZUJBJYYAQ-YUMQZZPRSA-N 0 3 277.346 -1.905 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985254956 656131130 /nfs/dbraw/zinc/13/11/30/656131130.db2.gz WXJJFMCZGQFHAP-SECBINFHSA-N 0 3 295.347 -1.530 20 0 CAADHN CN([C@H]1CCNC1=O)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985346445 656131374 /nfs/dbraw/zinc/13/13/74/656131374.db2.gz FARPNMUGLPQYNQ-JTQLQIEISA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985342528 656131403 /nfs/dbraw/zinc/13/14/03/656131403.db2.gz PZIPQJKEWOJDIK-MRVPVSSYSA-N 0 3 270.333 -1.342 20 0 CAADHN CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)[C@@H]1CCNC1=O ZINC001029682479 656132290 /nfs/dbraw/zinc/13/22/90/656132290.db2.gz VXQKLEMPJWTDGL-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985432424 656132458 /nfs/dbraw/zinc/13/24/58/656132458.db2.gz FWKFILUAJDKXTG-SECBINFHSA-N 0 3 295.347 -1.530 20 0 CAADHN CN(CCO)C1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000985448087 656132551 /nfs/dbraw/zinc/13/25/51/656132551.db2.gz XBRBKDLTXDRNQM-UHFFFAOYSA-N 0 3 290.385 -1.054 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)[C@H]1CCCNC1=O ZINC001029681836 656132567 /nfs/dbraw/zinc/13/25/67/656132567.db2.gz NJRMLJMKGLAFEH-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)[C@@H]1CCCNC1=O ZINC001029681838 656132648 /nfs/dbraw/zinc/13/26/48/656132648.db2.gz NJRMLJMKGLAFEH-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000985410000 656132680 /nfs/dbraw/zinc/13/26/80/656132680.db2.gz BNSRQNLDNAJFDX-SCZZXKLOSA-N 0 3 298.343 -1.109 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)CC(N)=O)C1)[C@H]1CCN(C)C1=O ZINC001029684472 656132725 /nfs/dbraw/zinc/13/27/25/656132725.db2.gz VUGZLTLKYIMWFQ-QWRGUYRKSA-N 0 3 296.371 -1.127 20 0 CAADHN COC(=O)[C@@H](F)CN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000925159584 656132973 /nfs/dbraw/zinc/13/29/73/656132973.db2.gz YBPOJPRXASUMGI-BQBZGAKWSA-N 0 3 261.253 -1.021 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(N)=O)CN1C(=O)CN1CCCC1 ZINC001012650954 656133016 /nfs/dbraw/zinc/13/30/16/656133016.db2.gz YHUWLFKKBUMZAC-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CN1CCCC1 ZINC001012650942 656133143 /nfs/dbraw/zinc/13/31/43/656133143.db2.gz YHUWLFKKBUMZAC-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2CCNC2=O)CC1 ZINC000985577409 656133157 /nfs/dbraw/zinc/13/31/57/656133157.db2.gz ODBHCQDFSZAKNH-MWLCHTKSSA-N 0 3 296.371 -1.081 20 0 CAADHN CCN1CC[C@@H](N(C)C[C@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001029824040 656133598 /nfs/dbraw/zinc/13/35/98/656133598.db2.gz BNQHLENMWMCRRW-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C[C@H]1CCN(C(=O)C(N)=O)C1)[C@H]1CCN(C)C1=O ZINC001029826144 656133622 /nfs/dbraw/zinc/13/36/22/656133622.db2.gz XKLPIRVUAHJGBS-ZJUUUORDSA-N 0 3 282.344 -1.517 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)[C@@H]1CCC(=O)NC1=O ZINC001029823091 656133672 /nfs/dbraw/zinc/13/36/72/656133672.db2.gz PTELURGHPOFCKO-DTWKUNHWSA-N 0 3 296.327 -1.943 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985609161 656133685 /nfs/dbraw/zinc/13/36/85/656133685.db2.gz XKJMRTHPTRLJJE-SCZZXKLOSA-N 0 3 297.359 -1.536 20 0 CAADHN CN(C[C@H]1CCN(C(=O)C(N)=O)C1)[C@H]1CCNC1=O ZINC001029823407 656133715 /nfs/dbraw/zinc/13/37/15/656133715.db2.gz SWWJYLLGLXLHLQ-BDAKNGLRSA-N 0 3 268.317 -1.860 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)[C@@H]1CCN(C)C1=O ZINC001029826143 656133785 /nfs/dbraw/zinc/13/37/85/656133785.db2.gz XKLPIRVUAHJGBS-VHSXEESVSA-N 0 3 282.344 -1.517 20 0 CAADHN CN(C[C@H]1CCN(C(=O)C(N)=O)C1)[C@@H]1CCN(C)C1=O ZINC001029826141 656133845 /nfs/dbraw/zinc/13/38/45/656133845.db2.gz XKLPIRVUAHJGBS-NXEZZACHSA-N 0 3 282.344 -1.517 20 0 CAADHN CCN1CC[C@H](N(C)C[C@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001029824041 656133870 /nfs/dbraw/zinc/13/38/70/656133870.db2.gz BNQHLENMWMCRRW-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000985609164 656133885 /nfs/dbraw/zinc/13/38/85/656133885.db2.gz XKJMRTHPTRLJJE-WPRPVWTQSA-N 0 3 297.359 -1.536 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)[C@H]1CCN(C)C1=O ZINC001029826142 656133988 /nfs/dbraw/zinc/13/39/88/656133988.db2.gz XKLPIRVUAHJGBS-UWVGGRQHSA-N 0 3 282.344 -1.517 20 0 CAADHN CN(C[C@H]1CCN(C(=O)C(N)=O)C1)[C@@H]1CCCN(C)C1=O ZINC001029823122 656133992 /nfs/dbraw/zinc/13/39/92/656133992.db2.gz QIFFHDKQWKWVFC-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C[C@H]1CCN(C(=O)C(N)=O)C1)[C@H]1CCC(=O)NC1=O ZINC001029823090 656134026 /nfs/dbraw/zinc/13/40/26/656134026.db2.gz PTELURGHPOFCKO-BDAKNGLRSA-N 0 3 296.327 -1.943 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)[C@@H]1CCCN(C)C1=O ZINC001029823125 656134044 /nfs/dbraw/zinc/13/40/44/656134044.db2.gz QIFFHDKQWKWVFC-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN CN([C@@H]1CCN(C)C1=O)C1CCN(C(=O)C(N)=O)CC1 ZINC000985619716 656134763 /nfs/dbraw/zinc/13/47/63/656134763.db2.gz JTEAKPXSWJZESK-SNVBAGLBSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC000985646970 656134779 /nfs/dbraw/zinc/13/47/79/656134779.db2.gz JDYXEUQYIVFLDJ-IEBDPFPHSA-N 0 3 296.371 -1.096 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1cccn1 ZINC000985987550 656135014 /nfs/dbraw/zinc/13/50/14/656135014.db2.gz WBSABRJMBQQTNW-ZJUUUORDSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1cccn1 ZINC000985987543 656135065 /nfs/dbraw/zinc/13/50/65/656135065.db2.gz WBSABRJMBQQTNW-NXEZZACHSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1cnnn1 ZINC000985949319 656135077 /nfs/dbraw/zinc/13/50/77/656135077.db2.gz XJKHRTQYEHFANO-HTQZYQBOSA-N 0 3 267.293 -2.263 20 0 CAADHN CC(=O)N1CC[C@@H](NCC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000985863264 656135103 /nfs/dbraw/zinc/13/51/03/656135103.db2.gz WLAPSCWWYVCTAN-GXSJLCMTSA-N 0 3 282.344 -1.456 20 0 CAADHN CC(=O)N1CC[C@H](NCC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000985863279 656135135 /nfs/dbraw/zinc/13/51/35/656135135.db2.gz WLAPSCWWYVCTAN-ONGXEEELSA-N 0 3 282.344 -1.456 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CCCC1=O ZINC000985962108 656135393 /nfs/dbraw/zinc/13/53/93/656135393.db2.gz YGGBPKAJJCKXMB-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1cccn1 ZINC000985987545 656135251 /nfs/dbraw/zinc/13/52/51/656135251.db2.gz WBSABRJMBQQTNW-UWVGGRQHSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CCCC1=O ZINC000985962105 656135314 /nfs/dbraw/zinc/13/53/14/656135314.db2.gz YGGBPKAJJCKXMB-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN CC(=O)N1CC[C@@H](NCC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000985863275 656135319 /nfs/dbraw/zinc/13/53/19/656135319.db2.gz WLAPSCWWYVCTAN-MWLCHTKSSA-N 0 3 282.344 -1.456 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1cnnn1 ZINC000985949340 656135323 /nfs/dbraw/zinc/13/53/23/656135323.db2.gz XJKHRTQYEHFANO-YUMQZZPRSA-N 0 3 267.293 -2.263 20 0 CAADHN Cc1c(C(=O)N2CC[C@H](NCC(N)=O)[C@H]2C)nnn1C ZINC000986102987 656135697 /nfs/dbraw/zinc/13/56/97/656135697.db2.gz JEVWPECXTQZUNX-APPZFPTMSA-N 0 3 280.332 -1.199 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCn1ccnn1 ZINC000986209039 656136132 /nfs/dbraw/zinc/13/61/32/656136132.db2.gz QTDYRXYYXZTARD-VHSXEESVSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCn1ccnn1 ZINC000986209027 656136187 /nfs/dbraw/zinc/13/61/87/656136187.db2.gz QTDYRXYYXZTARD-NXEZZACHSA-N 0 3 280.332 -1.268 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](NCC(N)=O)[C@H]2C)o1 ZINC000986251577 656136196 /nfs/dbraw/zinc/13/61/96/656136196.db2.gz NWHCSULBLRMGSH-VXNVDRBHSA-N 0 3 281.316 -1.015 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC000986243195 656136247 /nfs/dbraw/zinc/13/62/47/656136247.db2.gz JMLUJEGRVWIRPF-IUCAKERBSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cnn(C)c1N ZINC000986182648 656136277 /nfs/dbraw/zinc/13/62/77/656136277.db2.gz ULDALBDJWNHTHC-CBAPKCEASA-N 0 3 280.332 -1.320 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](NCC(N)=O)[C@H]2C)o1 ZINC000986251574 656136340 /nfs/dbraw/zinc/13/63/40/656136340.db2.gz NWHCSULBLRMGSH-APPZFPTMSA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1ncn(C)n1 ZINC000986254002 656136354 /nfs/dbraw/zinc/13/63/54/656136354.db2.gz VVEWWMAKVFIRFK-HTQZYQBOSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cnn(C)c1N ZINC000986182643 656136370 /nfs/dbraw/zinc/13/63/70/656136370.db2.gz ULDALBDJWNHTHC-APPZFPTMSA-N 0 3 280.332 -1.320 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@@H](NCC(N)=O)[C@H]2C)n1 ZINC000986266078 656136392 /nfs/dbraw/zinc/13/63/92/656136392.db2.gz NRJQQHCLVRXQRF-RKDXNWHRSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CCOCC1 ZINC000986177727 656136397 /nfs/dbraw/zinc/13/63/97/656136397.db2.gz ROYPOMUFLMFUHQ-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H]2C)n1 ZINC000986266075 656136410 /nfs/dbraw/zinc/13/64/10/656136410.db2.gz NRJQQHCLVRXQRF-DTWKUNHWSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cc(=O)n(C)o1 ZINC000986222800 656136415 /nfs/dbraw/zinc/13/64/15/656136415.db2.gz YOAGRVMHRIGHAS-JGVFFNPUSA-N 0 3 282.300 -1.344 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cn(C)nn1 ZINC000986236158 656136421 /nfs/dbraw/zinc/13/64/21/656136421.db2.gz VKUPHDMBBRXEHD-JGVFFNPUSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CN=NC1=O ZINC000986181217 656136439 /nfs/dbraw/zinc/13/64/39/656136439.db2.gz FYGCDDMIALEVFK-YUMQZZPRSA-N 0 3 282.304 -1.952 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC000986207020 656136452 /nfs/dbraw/zinc/13/64/52/656136452.db2.gz LOVVUQPYYPQEOD-KWQFWETISA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cnnn1C ZINC000986239830 656136466 /nfs/dbraw/zinc/13/64/66/656136466.db2.gz FPXGWRBOZITFEK-HTQZYQBOSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1ncn(C)n1 ZINC000986254003 656136497 /nfs/dbraw/zinc/13/64/97/656136497.db2.gz VVEWWMAKVFIRFK-JGVFFNPUSA-N 0 3 266.305 -1.507 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)n1 ZINC000986266076 656136518 /nfs/dbraw/zinc/13/65/18/656136518.db2.gz NRJQQHCLVRXQRF-IUCAKERBSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1ncn(C)n1 ZINC000986254004 656136542 /nfs/dbraw/zinc/13/65/42/656136542.db2.gz VVEWWMAKVFIRFK-SFYZADRCSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1nccn1 ZINC000986330319 656136706 /nfs/dbraw/zinc/13/67/06/656136706.db2.gz CHJVXNYNKJVBFS-RKDXNWHRSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC000986392764 656136745 /nfs/dbraw/zinc/13/67/45/656136745.db2.gz LWPIGYYDUXQBLL-APPZFPTMSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CCOCC1=O ZINC000986360435 656136748 /nfs/dbraw/zinc/13/67/48/656136748.db2.gz XMOPEXVCXDTUHZ-UWVGGRQHSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1CS(=O)(=O)C1 ZINC000986301137 656136807 /nfs/dbraw/zinc/13/68/07/656136807.db2.gz KHZSLUBMMCGEIG-CBAPKCEASA-N 0 3 289.357 -1.905 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1ncn(C)c1=O ZINC000986445185 656136822 /nfs/dbraw/zinc/13/68/22/656136822.db2.gz HTKQJERHINIGBW-IUCAKERBSA-N 0 3 296.331 -2.354 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC000986378743 656136833 /nfs/dbraw/zinc/13/68/33/656136833.db2.gz BUNNLJRAEVUCNU-IUCAKERBSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1nccn1 ZINC000986330315 656136862 /nfs/dbraw/zinc/13/68/62/656136862.db2.gz CHJVXNYNKJVBFS-DTWKUNHWSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC000986392798 656136872 /nfs/dbraw/zinc/13/68/72/656136872.db2.gz LWPIGYYDUXQBLL-IONNQARKSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cnc[n-]c1=O ZINC000986406285 656136957 /nfs/dbraw/zinc/13/69/57/656136957.db2.gz DWXTWHXISFLCGQ-CBAPKCEASA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CCCNC1=O ZINC000986483414 656137147 /nfs/dbraw/zinc/13/71/47/656137147.db2.gz QIVPFYMREHCGBT-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000986674831 656137427 /nfs/dbraw/zinc/13/74/27/656137427.db2.gz GOYRVSJFHUUGCF-GPTQDWHKSA-N 0 3 267.329 -1.057 20 0 CAADHN C[C@@H]1[C@H](NCCF)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986668815 656137445 /nfs/dbraw/zinc/13/74/45/656137445.db2.gz HKTBFJSLXXZFSW-GHMZBOCLSA-N 0 3 286.351 -1.033 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1nnn(C)n1 ZINC000986655522 656137467 /nfs/dbraw/zinc/13/74/67/656137467.db2.gz ITNBOWIOLLMOPQ-RNFRBKRXSA-N 0 3 267.293 -2.112 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC000986641318 656137510 /nfs/dbraw/zinc/13/75/10/656137510.db2.gz GIJUQETYUXPVKJ-YUMQZZPRSA-N 0 3 266.305 -1.209 20 0 CAADHN CC(C)(O)C[C@@H](O)CNCC(=O)N1CCOCC1 ZINC000872205799 656137532 /nfs/dbraw/zinc/13/75/32/656137532.db2.gz MBKIOXFTMCUIOC-SNVBAGLBSA-N 0 3 260.334 -1.043 20 0 CAADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986668824 656137535 /nfs/dbraw/zinc/13/75/35/656137535.db2.gz HKTBFJSLXXZFSW-QWRGUYRKSA-N 0 3 286.351 -1.033 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1nnn(C)n1 ZINC000986655521 656137539 /nfs/dbraw/zinc/13/75/39/656137539.db2.gz ITNBOWIOLLMOPQ-NKWVEPMBSA-N 0 3 267.293 -2.112 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000986674829 656137581 /nfs/dbraw/zinc/13/75/81/656137581.db2.gz GOYRVSJFHUUGCF-GOVZDWNOSA-N 0 3 267.329 -1.057 20 0 CAADHN C[C@@H]1[C@@H](NCCF)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986668822 656137631 /nfs/dbraw/zinc/13/76/31/656137631.db2.gz HKTBFJSLXXZFSW-MNOVXSKESA-N 0 3 286.351 -1.033 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC000986641313 656137697 /nfs/dbraw/zinc/13/76/97/656137697.db2.gz GIJUQETYUXPVKJ-HTQZYQBOSA-N 0 3 266.305 -1.209 20 0 CAADHN C[C@@H]1[C@@H](NCc2cncn2C)CCN1C(=O)C(N)=O ZINC000986781033 656137866 /nfs/dbraw/zinc/13/78/66/656137866.db2.gz QLMRRXOZHMJVME-SCZZXKLOSA-N 0 3 265.317 -1.016 20 0 CAADHN C[C@H]1[C@H](NCc2cnn(C)c2)CCN1C(=O)C(N)=O ZINC000986774749 656138059 /nfs/dbraw/zinc/13/80/59/656138059.db2.gz CFIRWEXNELAUDV-WCBMZHEXSA-N 0 3 265.317 -1.016 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)N2CCCC2)CCN1C(=O)C(N)=O ZINC000986780028 656138135 /nfs/dbraw/zinc/13/81/35/656138135.db2.gz OIAGZBRLZKNARB-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)C(N)=O ZINC000986774754 656138167 /nfs/dbraw/zinc/13/81/67/656138167.db2.gz CFIRWEXNELAUDV-WPRPVWTQSA-N 0 3 265.317 -1.016 20 0 CAADHN C[C@H]1[C@H](NCc2cncn2C)CCN1C(=O)C(N)=O ZINC000986781036 656138215 /nfs/dbraw/zinc/13/82/15/656138215.db2.gz QLMRRXOZHMJVME-WCBMZHEXSA-N 0 3 265.317 -1.016 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCc1cnn(C)n1 ZINC000986962977 656138526 /nfs/dbraw/zinc/13/85/26/656138526.db2.gz VRCYSRUUGYTDJY-GXSJLCMTSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)C(N)=O ZINC000986783321 656138714 /nfs/dbraw/zinc/13/87/14/656138714.db2.gz WAFLPUUVGLVKQF-ZJUUUORDSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCc1cnn(C)n1 ZINC000986962991 656138737 /nfs/dbraw/zinc/13/87/37/656138737.db2.gz VRCYSRUUGYTDJY-MWLCHTKSSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC000986856217 656138932 /nfs/dbraw/zinc/13/89/32/656138932.db2.gz QZOLEVUOFYLJMT-JGVFFNPUSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCc1cnn(C)n1 ZINC000986962996 656139182 /nfs/dbraw/zinc/13/91/82/656139182.db2.gz VRCYSRUUGYTDJY-ONGXEEELSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC000986987832 656139371 /nfs/dbraw/zinc/13/93/71/656139371.db2.gz SMWOJZIIWHNPFT-SFYZADRCSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cnn(C)n1 ZINC000987168605 656139719 /nfs/dbraw/zinc/13/97/19/656139719.db2.gz NPFLFGQKBIWUIL-JGVFFNPUSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1)C(N)=O ZINC001030017111 656139927 /nfs/dbraw/zinc/13/99/27/656139927.db2.gz HUQOMQKAKPSLGJ-LPEHRKFASA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000987275787 656140147 /nfs/dbraw/zinc/14/01/47/656140147.db2.gz SBDNNBFHAXUXAX-CBAPKCEASA-N 0 3 293.327 -1.209 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC000987280117 656140153 /nfs/dbraw/zinc/14/01/53/656140153.db2.gz MRJGUVQQWVDBGP-IUCAKERBSA-N 0 3 281.316 -1.015 20 0 CAADHN CCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H]2C)nn1 ZINC000987267858 656140159 /nfs/dbraw/zinc/14/01/59/656140159.db2.gz ODHGDQATIRLZCT-DTWKUNHWSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000987275788 656140215 /nfs/dbraw/zinc/14/02/15/656140215.db2.gz SBDNNBFHAXUXAX-IONNQARKSA-N 0 3 293.327 -1.209 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001030017113 656140251 /nfs/dbraw/zinc/14/02/51/656140251.db2.gz IZRHOCYHYNPMLR-HBNTYKKESA-N 0 3 294.355 -1.266 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC000987471923 656140622 /nfs/dbraw/zinc/14/06/22/656140622.db2.gz CDKICINSDDXAGS-RKDXNWHRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1C(=O)CNC1=O ZINC000987481587 656140626 /nfs/dbraw/zinc/14/06/26/656140626.db2.gz JRIYOYSRLJISMR-JGVFFNPUSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC000987520893 656140656 /nfs/dbraw/zinc/14/06/56/656140656.db2.gz UDUDHBQRFSIKFO-VXNVDRBHSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1C(=O)CCC1=O ZINC000987497781 656140746 /nfs/dbraw/zinc/14/07/46/656140746.db2.gz RLAGEGGPFDTVFN-DTWKUNHWSA-N 0 3 296.327 -1.800 20 0 CAADHN C[C@H]1[C@H](NCCF)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576778 656140767 /nfs/dbraw/zinc/14/07/67/656140767.db2.gz PWHKHMVOPPCKGK-DTWKUNHWSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@@H]1[C@H](NCCF)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576781 656140796 /nfs/dbraw/zinc/14/07/96/656140796.db2.gz PWHKHMVOPPCKGK-RKDXNWHRSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC000987520892 656140813 /nfs/dbraw/zinc/14/08/13/656140813.db2.gz UDUDHBQRFSIKFO-IONNQARKSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1C(=O)CNC1=O ZINC000987481586 656140836 /nfs/dbraw/zinc/14/08/36/656140836.db2.gz JRIYOYSRLJISMR-HTQZYQBOSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCc1cn(C)nn1 ZINC000987615147 656141055 /nfs/dbraw/zinc/14/10/55/656141055.db2.gz WMGBKXJJEOQOJD-KOLCDFICSA-N 0 3 294.359 -1.188 20 0 CAADHN COCC(=O)N1C[C@H](NCc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC000987655405 656141099 /nfs/dbraw/zinc/14/10/99/656141099.db2.gz LGCUXSWVOVCPRU-RKDXNWHRSA-N 0 3 283.332 -1.166 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1ccnc1 ZINC000987606212 656141224 /nfs/dbraw/zinc/14/12/24/656141224.db2.gz UHSGIRBDXGKDHX-UWVGGRQHSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cn(C)c(=O)n1C ZINC000987582597 656141274 /nfs/dbraw/zinc/14/12/74/656141274.db2.gz ZBDYXIJAYKRKPU-DTWKUNHWSA-N 0 3 295.343 -1.598 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1ccnc1 ZINC000987606213 656141392 /nfs/dbraw/zinc/14/13/92/656141392.db2.gz UHSGIRBDXGKDHX-VHSXEESVSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1ccc(=O)[nH]n1 ZINC000987956071 656141638 /nfs/dbraw/zinc/14/16/38/656141638.db2.gz WORJOEJDUFZKKY-YUMQZZPRSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cc[n+]([O-])cc1 ZINC000987923976 656141653 /nfs/dbraw/zinc/14/16/53/656141653.db2.gz AUYHIUVNSSRLGH-KOLCDFICSA-N 0 3 278.312 -1.002 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1cnnn1 ZINC000987999291 656141661 /nfs/dbraw/zinc/14/16/61/656141661.db2.gz DSCJJBKNDDRGGH-JGVFFNPUSA-N 0 3 267.293 -2.263 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)C1=COCCO1 ZINC000987931428 656141695 /nfs/dbraw/zinc/14/16/95/656141695.db2.gz VNAUHIGUGSSBQT-BDAKNGLRSA-N 0 3 269.301 -1.061 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1cccn1 ZINC000988075562 656141834 /nfs/dbraw/zinc/14/18/34/656141834.db2.gz FSBXHKCSJJNCNC-NXEZZACHSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CCCC1=O ZINC000987982157 656141880 /nfs/dbraw/zinc/14/18/80/656141880.db2.gz IRKZUSDKPICOPP-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)C1=COCCO1 ZINC000987931434 656142005 /nfs/dbraw/zinc/14/20/05/656142005.db2.gz VNAUHIGUGSSBQT-RKDXNWHRSA-N 0 3 269.301 -1.061 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1cccn1 ZINC000988075564 656142019 /nfs/dbraw/zinc/14/20/19/656142019.db2.gz FSBXHKCSJJNCNC-VHSXEESVSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCn1cncn1 ZINC000988149942 656142398 /nfs/dbraw/zinc/14/23/98/656142398.db2.gz YGKFUUHVPZHERV-NXEZZACHSA-N 0 3 280.332 -1.268 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)[C@H]1CCCN1C ZINC000988287907 656142756 /nfs/dbraw/zinc/14/27/56/656142756.db2.gz UYXGCJJSLWDDEV-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CS(C)(=O)=O ZINC000988279359 656142766 /nfs/dbraw/zinc/14/27/66/656142766.db2.gz JRCXJXIOPONHDX-SFYZADRCSA-N 0 3 277.346 -1.905 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)C(=O)[C@@H]1CCCN1C ZINC000988287905 656143001 /nfs/dbraw/zinc/14/30/01/656143001.db2.gz UYXGCJJSLWDDEV-QWRGUYRKSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)CC(N)=O ZINC000988435476 656143648 /nfs/dbraw/zinc/14/36/48/656143648.db2.gz SOUUTZMQTKNYAX-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CCOCC1 ZINC000988652686 656144104 /nfs/dbraw/zinc/14/41/04/656144104.db2.gz IUNQSUIRSIVYKY-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CCOCC1 ZINC000988652698 656144552 /nfs/dbraw/zinc/14/45/52/656144552.db2.gz IUNQSUIRSIVYKY-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@H](NCC(N)=O)C[C@H]2C)C1 ZINC000988718034 656145096 /nfs/dbraw/zinc/14/50/96/656145096.db2.gz HSEQQBYLXFDJCZ-LDYMZIIASA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cc(=O)n(C)o1 ZINC000988717363 656145247 /nfs/dbraw/zinc/14/52/47/656145247.db2.gz FJJTXZYKTOAYOY-SFYZADRCSA-N 0 3 282.300 -1.344 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cc(=O)n(C)o1 ZINC000988717356 656145292 /nfs/dbraw/zinc/14/52/92/656145292.db2.gz FJJTXZYKTOAYOY-HTQZYQBOSA-N 0 3 282.300 -1.344 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCn1ccnn1 ZINC000988714417 656145328 /nfs/dbraw/zinc/14/53/28/656145328.db2.gz UYYGMGISXPYJDJ-VHSXEESVSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCn1ccnn1 ZINC000988714413 656145448 /nfs/dbraw/zinc/14/54/48/656145448.db2.gz UYYGMGISXPYJDJ-UWVGGRQHSA-N 0 3 280.332 -1.268 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@H](NCC(N)=O)C[C@@H]2C)[nH]1 ZINC000988825157 656146518 /nfs/dbraw/zinc/14/65/18/656146518.db2.gz KCSTUYGNNDUTLN-IONNQARKSA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1ncn(C)n1 ZINC000988786756 656146566 /nfs/dbraw/zinc/14/65/66/656146566.db2.gz SCGSMRXMSTUILN-SFYZADRCSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cn(C)nn1 ZINC000988787446 656146576 /nfs/dbraw/zinc/14/65/76/656146576.db2.gz VCVAWVOQCGMDEZ-SFYZADRCSA-N 0 3 266.305 -1.507 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@H](NCC(N)=O)C[C@H]2C)[nH]1 ZINC000988825161 656146579 /nfs/dbraw/zinc/14/65/79/656146579.db2.gz KCSTUYGNNDUTLN-VXNVDRBHSA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1ncnn1 ZINC000988837546 656146584 /nfs/dbraw/zinc/14/65/84/656146584.db2.gz KIQOVACJOFGKNG-JGVFFNPUSA-N 0 3 267.293 -2.263 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@@H](NCC(N)=O)C[C@@H]2C)[nH]1 ZINC000988825153 656146594 /nfs/dbraw/zinc/14/65/94/656146594.db2.gz KCSTUYGNNDUTLN-CBAPKCEASA-N 0 3 280.332 -1.280 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@@H](NCC(N)=O)C[C@H]2C)[nH]1 ZINC000988825151 656146742 /nfs/dbraw/zinc/14/67/42/656146742.db2.gz KCSTUYGNNDUTLN-APPZFPTMSA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ncn(C)n1 ZINC000988786754 656146765 /nfs/dbraw/zinc/14/67/65/656146765.db2.gz SCGSMRXMSTUILN-JGVFFNPUSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cn(C)nn1 ZINC000988787440 656146784 /nfs/dbraw/zinc/14/67/84/656146784.db2.gz VCVAWVOQCGMDEZ-JGVFFNPUSA-N 0 3 266.305 -1.507 20 0 CAADHN CCn1nncc1C(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC000988783813 656146858 /nfs/dbraw/zinc/14/68/58/656146858.db2.gz RYTFTFVMZGVPLU-BDAKNGLRSA-N 0 3 280.332 -1.024 20 0 CAADHN CCn1ncc(C(=O)N2C[C@H](NCC(N)=O)C[C@H]2C)n1 ZINC000988779535 656146869 /nfs/dbraw/zinc/14/68/69/656146869.db2.gz DOOSBAGWRWHPGJ-RKDXNWHRSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cn[nH]c(=O)c1 ZINC000988996454 656147033 /nfs/dbraw/zinc/14/70/33/656147033.db2.gz OPQFWSNOIGKIEO-CBAPKCEASA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cc2n(n1)CCO2 ZINC000988957030 656147198 /nfs/dbraw/zinc/14/71/98/656147198.db2.gz VUYNKHIPDVNZPW-IUCAKERBSA-N 0 3 293.327 -1.047 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cn[nH]c(=O)c1 ZINC000988996458 656147312 /nfs/dbraw/zinc/14/73/12/656147312.db2.gz OPQFWSNOIGKIEO-VXNVDRBHSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1ncn(C)c1=O ZINC000989060704 656147322 /nfs/dbraw/zinc/14/73/22/656147322.db2.gz BNUBVYOPAVWVOR-IUCAKERBSA-N 0 3 296.331 -2.354 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cc(=O)n(C)cn1 ZINC000988984487 656147326 /nfs/dbraw/zinc/14/73/26/656147326.db2.gz GVMOAZDVPAIGIH-RKDXNWHRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CCOCC1=O ZINC000988956449 656147342 /nfs/dbraw/zinc/14/73/42/656147342.db2.gz QLZSMVAZKWZMON-UWVGGRQHSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cn[nH]c(=O)c1 ZINC000988996456 656147357 /nfs/dbraw/zinc/14/73/57/656147357.db2.gz OPQFWSNOIGKIEO-IONNQARKSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cc2n(n1)CCO2 ZINC000988957031 656147359 /nfs/dbraw/zinc/14/73/59/656147359.db2.gz VUYNKHIPDVNZPW-RKDXNWHRSA-N 0 3 293.327 -1.047 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cc2n(n1)CCO2 ZINC000988957028 656147369 /nfs/dbraw/zinc/14/73/69/656147369.db2.gz VUYNKHIPDVNZPW-DTWKUNHWSA-N 0 3 293.327 -1.047 20 0 CAADHN CCn1cc(CC(=O)N2C[C@@H](NCC(N)=O)C[C@@H]2C)nn1 ZINC000989221431 656147589 /nfs/dbraw/zinc/14/75/89/656147589.db2.gz JZMXFRRLPXTUEX-UWVGGRQHSA-N 0 3 294.359 -1.095 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CN(C)CCO2)C1=O ZINC000925300281 656147641 /nfs/dbraw/zinc/14/76/41/656147641.db2.gz RKSHWLHGBMIFKW-UWVGGRQHSA-N 0 3 270.333 -1.201 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cn[nH]n1 ZINC000989094478 656147881 /nfs/dbraw/zinc/14/78/81/656147881.db2.gz OMVGVBWHOPIGNR-BQBZGAKWSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1c[nH]c(=O)n1C ZINC000989291657 656148152 /nfs/dbraw/zinc/14/81/52/656148152.db2.gz QUDIWMWVPBSWAT-HTQZYQBOSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1nnn(C)n1 ZINC000989305498 656148286 /nfs/dbraw/zinc/14/82/86/656148286.db2.gz DIGKEWGXNLQJKP-RNFRBKRXSA-N 0 3 267.293 -2.112 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)COc1cnn(C)c1 ZINC000989357413 656148353 /nfs/dbraw/zinc/14/83/53/656148353.db2.gz OFLCIGXALVQCCJ-VHSXEESVSA-N 0 3 295.343 -1.137 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CCNC(=O)C1 ZINC000989296218 656148442 /nfs/dbraw/zinc/14/84/42/656148442.db2.gz SIHMMMQESUDXQD-VHSXEESVSA-N 0 3 297.359 -2.518 20 0 CAADHN CCOC(=O)[C@@H]1NC(=O)N(C2CCN(CCO)CC2)C1=O ZINC000925303665 656148545 /nfs/dbraw/zinc/14/85/45/656148545.db2.gz PMZCCVAPWWSPTJ-SNVBAGLBSA-N 0 3 299.327 -1.073 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1c[nH]c(=O)n1C ZINC000989291660 656148566 /nfs/dbraw/zinc/14/85/66/656148566.db2.gz QUDIWMWVPBSWAT-YUMQZZPRSA-N 0 3 281.316 -1.196 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(C[C@@H]2COCCN2C)C1=O ZINC000925315735 656149423 /nfs/dbraw/zinc/14/94/23/656149423.db2.gz YXNYPFJJFVOIDQ-ZJUUUORDSA-N 0 3 270.333 -1.201 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(C[C@@H]2COCCN2C)C1=O ZINC000925315727 656149666 /nfs/dbraw/zinc/14/96/66/656149666.db2.gz YXNYPFJJFVOIDQ-NXEZZACHSA-N 0 3 270.333 -1.201 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CC(=O)NC1=O ZINC000989569934 656149932 /nfs/dbraw/zinc/14/99/32/656149932.db2.gz ZARANAVNKUUPJC-SFYZADRCSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCN1CCOCC1 ZINC000989559647 656150130 /nfs/dbraw/zinc/15/01/30/656150130.db2.gz UAHXDIXNFJDRIX-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)C1CC(=O)NC(=O)C1 ZINC000989549129 656150206 /nfs/dbraw/zinc/15/02/06/656150206.db2.gz GBJHHDATIYPCOQ-CBAPKCEASA-N 0 3 296.327 -1.897 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCN1CCOCC1 ZINC000989559651 656150252 /nfs/dbraw/zinc/15/02/52/656150252.db2.gz UAHXDIXNFJDRIX-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN CN(Cc1ncc[nH]1)S(=O)(=O)N1CCNCC1 ZINC000080531764 656150295 /nfs/dbraw/zinc/15/02/95/656150295.db2.gz AXQNPGAYGQCZJW-UHFFFAOYSA-N 0 3 259.335 -1.009 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC000989457931 656150319 /nfs/dbraw/zinc/15/03/19/656150319.db2.gz JYDIJCOLLDETEQ-HTQZYQBOSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1nc[nH]n1 ZINC000989573840 656150768 /nfs/dbraw/zinc/15/07/68/656150768.db2.gz VWDUBEZPOOCCTB-RQJHMYQMSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@H]1CCCN1C ZINC000989587642 656150850 /nfs/dbraw/zinc/15/08/50/656150850.db2.gz HMYQKXFGZTXEAH-KXUCPTDWSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CN1CCCC1 ZINC000989596207 656151149 /nfs/dbraw/zinc/15/11/49/656151149.db2.gz DUQUQZOZBJVYHF-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C(N)=O)[C@H]2C)C1 ZINC000989597153 656151242 /nfs/dbraw/zinc/15/12/42/656151242.db2.gz UTCNFPQXNZKKMX-MXWKQRLJSA-N 0 3 296.371 -1.081 20 0 CAADHN CCn1cc(C(=O)N2C[C@@H](NCC(N)=O)C[C@H]2C)nn1 ZINC000989623113 656151438 /nfs/dbraw/zinc/15/14/38/656151438.db2.gz RVJVRDBUXJAKBQ-BDAKNGLRSA-N 0 3 280.332 -1.024 20 0 CAADHN Cc1nonc1CC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC000989624666 656151470 /nfs/dbraw/zinc/15/14/70/656151470.db2.gz JBZVYMKOGMVKMB-CBAPKCEASA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000989616636 656151653 /nfs/dbraw/zinc/15/16/53/656151653.db2.gz YNYATFGJOROBHU-CBAPKCEASA-N 0 3 293.327 -1.209 20 0 CAADHN Cc1nonc1CC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC000989624668 656151688 /nfs/dbraw/zinc/15/16/88/656151688.db2.gz JBZVYMKOGMVKMB-VXNVDRBHSA-N 0 3 281.316 -1.015 20 0 CAADHN Cc1nonc1CC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC000989624667 656151750 /nfs/dbraw/zinc/15/17/50/656151750.db2.gz JBZVYMKOGMVKMB-IONNQARKSA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCn1cnnn1 ZINC000989602750 656151795 /nfs/dbraw/zinc/15/17/95/656151795.db2.gz YBYLTWMQBPLHRA-BDAKNGLRSA-N 0 3 281.320 -1.873 20 0 CAADHN CCn1cc(C(=O)N2C[C@H](NCC(N)=O)C[C@H]2C)nn1 ZINC000989623116 656151818 /nfs/dbraw/zinc/15/18/18/656151818.db2.gz RVJVRDBUXJAKBQ-RKDXNWHRSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC000989623927 656151919 /nfs/dbraw/zinc/15/19/19/656151919.db2.gz NGGPCSOYPYUYKT-JTQLQIEISA-N 0 3 298.343 -1.547 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ccc(=O)n(C)n1 ZINC000989759387 656152102 /nfs/dbraw/zinc/15/21/02/656152102.db2.gz LJSSSBODMGHCQP-RKDXNWHRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1cncn1 ZINC000989764242 656152215 /nfs/dbraw/zinc/15/22/15/656152215.db2.gz ZDMRPYHESYQXKP-DTWKUNHWSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1C(=O)CNC1=O ZINC000989765680 656152284 /nfs/dbraw/zinc/15/22/84/656152284.db2.gz JIIXRVQNBJAHDX-SFYZADRCSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1cncn1 ZINC000989764244 656152381 /nfs/dbraw/zinc/15/23/81/656152381.db2.gz ZDMRPYHESYQXKP-RKDXNWHRSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC000989806889 656152591 /nfs/dbraw/zinc/15/25/91/656152591.db2.gz OXBWCAJNHLZOFU-GHMZBOCLSA-N 0 3 297.355 -1.046 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC000989803848 656152613 /nfs/dbraw/zinc/15/26/13/656152613.db2.gz YTZLWFLTAABDFC-APPZFPTMSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cn(C)c(=O)n1C ZINC000989835949 656152700 /nfs/dbraw/zinc/15/27/00/656152700.db2.gz YJMVCMOVCDYQEA-BDAKNGLRSA-N 0 3 295.343 -1.598 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1C(=O)CCC1=O ZINC000989773196 656152718 /nfs/dbraw/zinc/15/27/18/656152718.db2.gz PQFPWARBVSOXOZ-DTWKUNHWSA-N 0 3 296.327 -1.800 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1ccnc1 ZINC000989852614 656152771 /nfs/dbraw/zinc/15/27/71/656152771.db2.gz BLJYQIZMUDYSQW-NXEZZACHSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989806891 656152908 /nfs/dbraw/zinc/15/29/08/656152908.db2.gz OXBWCAJNHLZOFU-QWRGUYRKSA-N 0 3 297.355 -1.046 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC000989803850 656152947 /nfs/dbraw/zinc/15/29/47/656152947.db2.gz YTZLWFLTAABDFC-IONNQARKSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@H]1C(=O)NCCN1S(=O)(=O)N1CCNCC1 ZINC000110659499 656153042 /nfs/dbraw/zinc/15/30/42/656153042.db2.gz RPEQKIOTOSXIOP-QMMMGPOBSA-N 0 3 262.335 -2.043 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1ccccc1=O ZINC000989776293 656153053 /nfs/dbraw/zinc/15/30/53/656153053.db2.gz ODGUFMQNMCANQY-MNOVXSKESA-N 0 3 292.339 -1.087 20 0 CAADHN CC[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCNCC1 ZINC000110680628 656153079 /nfs/dbraw/zinc/15/30/79/656153079.db2.gz JQOUBXDFWNXAHY-SECBINFHSA-N 0 3 276.362 -1.653 20 0 CAADHN C[C@H]1C[C@@H](NCCF)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC000989830893 656153098 /nfs/dbraw/zinc/15/30/98/656153098.db2.gz CSSLRSYNRVTPIP-DTWKUNHWSA-N 0 3 298.322 -1.075 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CCN2CCNC(=O)C2)C1=O ZINC000925325967 656153533 /nfs/dbraw/zinc/15/35/33/656153533.db2.gz ORCUMGIPZJKNQH-SECBINFHSA-N 0 3 283.332 -2.100 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014503988 656155141 /nfs/dbraw/zinc/15/51/41/656155141.db2.gz TVJKSZGWJMABFP-IUCAKERBSA-N 0 3 296.331 -2.052 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC000990182038 656155697 /nfs/dbraw/zinc/15/56/97/656155697.db2.gz XYIUVQARRONGOV-JTQLQIEISA-N 0 3 293.331 -1.906 20 0 CAADHN O=C(Cn1cnnn1)NC1CN(C(=O)CN2CCCC2)C1 ZINC000990188356 656156185 /nfs/dbraw/zinc/15/61/85/656156185.db2.gz FXRSNWMTXINNEH-UHFFFAOYSA-N 0 3 293.331 -1.904 20 0 CAADHN COC(=O)[C@@H](C)CN(C)S(=O)(=O)N1CCNCC1 ZINC000040861653 656160767 /nfs/dbraw/zinc/16/07/67/656160767.db2.gz SRERRRQVQZTJCR-VIFPVBQESA-N 0 3 279.362 -1.123 20 0 CAADHN O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2COCCO2)C1 ZINC000990300906 656158170 /nfs/dbraw/zinc/15/81/70/656158170.db2.gz UJQFUKFPXRWDAS-GFCCVEGCSA-N 0 3 297.355 -1.175 20 0 CAADHN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)N1CCNCC1 ZINC000040860815 656160500 /nfs/dbraw/zinc/16/05/00/656160500.db2.gz ATVYTGLZZUXNJJ-VHSXEESVSA-N 0 3 290.389 -1.278 20 0 CAADHN COC(=O)[C@H](C)CN(C)S(=O)(=O)N1CCNCC1 ZINC000040861655 656160517 /nfs/dbraw/zinc/16/05/17/656160517.db2.gz SRERRRQVQZTJCR-SECBINFHSA-N 0 3 279.362 -1.123 20 0 CAADHN COC(=O)CCNS(=O)(=O)N1CCNCC1 ZINC000040862143 656160589 /nfs/dbraw/zinc/16/05/89/656160589.db2.gz OCJZPUKGDCEAEZ-UHFFFAOYSA-N 0 3 251.308 -1.711 20 0 CAADHN CCN(CC(=O)NC)S(=O)(=O)N1CCNCC1 ZINC000040861932 656160745 /nfs/dbraw/zinc/16/07/45/656160745.db2.gz KKELLGJJIFOXHP-UHFFFAOYSA-N 0 3 264.351 -1.796 20 0 CAADHN CN(CC(=O)N1CCCC1)S(=O)(=O)N1CCNCC1 ZINC000040861478 656160800 /nfs/dbraw/zinc/16/08/00/656160800.db2.gz WACVGUIDJURXOM-UHFFFAOYSA-N 0 3 290.389 -1.309 20 0 CAADHN CCNC(=O)[C@H](C)NS(=O)(=O)N1CCNCC1 ZINC000040861936 656160810 /nfs/dbraw/zinc/16/08/10/656160810.db2.gz PBENMRRFWLQASF-QMMMGPOBSA-N 0 3 264.351 -1.749 20 0 CAADHN CNC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCNCC1 ZINC000040861715 656160831 /nfs/dbraw/zinc/16/08/31/656160831.db2.gz MEEDFNHBPRWISQ-VIFPVBQESA-N 0 3 276.362 -1.653 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@H]1CCN(C2CC2)C1 ZINC000900372392 656166443 /nfs/dbraw/zinc/16/64/43/656166443.db2.gz SUCNVVDJBBFXEQ-JTQLQIEISA-N 0 3 266.345 -1.229 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1=O ZINC000900439401 656167310 /nfs/dbraw/zinc/16/73/10/656167310.db2.gz HIVIZHLURCNMQA-IJLUTSLNSA-N 0 3 297.355 -1.177 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000900442250 656167481 /nfs/dbraw/zinc/16/74/81/656167481.db2.gz OSFJKTQMWKBQIA-RYUDHWBXSA-N 0 3 296.371 -1.602 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000900442243 656167504 /nfs/dbraw/zinc/16/75/04/656167504.db2.gz OSFJKTQMWKBQIA-NEPJUHHUSA-N 0 3 296.371 -1.602 20 0 CAADHN COCCN(C)CCNC(=O)[C@H]1OCCN(C)C1=O ZINC000900518120 656168453 /nfs/dbraw/zinc/16/84/53/656168453.db2.gz NRFSAGIESNXTEN-SNVBAGLBSA-N 0 3 273.333 -1.462 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H]1OCCN(C)C1=O ZINC000900518085 656168584 /nfs/dbraw/zinc/16/85/84/656168584.db2.gz NRFSAGIESNXTEN-JTQLQIEISA-N 0 3 273.333 -1.462 20 0 CAADHN COCCN(CCN(C)C)C(=O)[C@@H]1OCCN(C)C1=O ZINC000900586332 656169448 /nfs/dbraw/zinc/16/94/48/656169448.db2.gz DZNQZLXPYXWMLU-LLVKDONJSA-N 0 3 287.360 -1.120 20 0 CAADHN COCCN(CCN(C)C)C(=O)[C@H]1OCCN(C)C1=O ZINC000900586333 656169773 /nfs/dbraw/zinc/16/97/73/656169773.db2.gz DZNQZLXPYXWMLU-NSHDSACASA-N 0 3 287.360 -1.120 20 0 CAADHN CCN1CCN(CCNC(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 ZINC000900686936 656171073 /nfs/dbraw/zinc/17/10/73/656171073.db2.gz PYEQMTAOJWNMEK-WDEREUQCSA-N 0 3 268.361 -1.139 20 0 CAADHN CC1(C)CN(C(=O)CN2CCNC(=O)C2)CCN1 ZINC000900937679 656173516 /nfs/dbraw/zinc/17/35/16/656173516.db2.gz IGPNKLSWDGKNAH-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001030022244 656175311 /nfs/dbraw/zinc/17/53/11/656175311.db2.gz IZRHOCYHYNPMLR-AXFHLTTASA-N 0 3 294.355 -1.266 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(N)=O ZINC001030022238 656175761 /nfs/dbraw/zinc/17/57/61/656175761.db2.gz HUQOMQKAKPSLGJ-GUBZILKMSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@@H](NC1CC1)C(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000901095448 656177286 /nfs/dbraw/zinc/17/72/86/656177286.db2.gz YIGQFNCASXTBIT-MRVPVSSYSA-N 0 3 276.362 -1.607 20 0 CAADHN CN(C)CCn1nccc1C(=O)N[C@H]1CCC(=O)NC1=O ZINC000901147390 656178552 /nfs/dbraw/zinc/17/85/52/656178552.db2.gz GQHYWKCASFMZQN-VIFPVBQESA-N 0 3 293.327 -1.020 20 0 CAADHN COC(=O)[C@@H](O)CNC(=O)c1ccnn1CCN(C)C ZINC000901258820 656179245 /nfs/dbraw/zinc/17/92/45/656179245.db2.gz RVEKWMXZPOJPJL-JTQLQIEISA-N 0 3 284.316 -1.292 20 0 CAADHN CN(C)CCn1nccc1C(=O)N(C)C[C@H](O)CO ZINC000901285463 656179478 /nfs/dbraw/zinc/17/94/78/656179478.db2.gz CPMRJVOEPQFELH-JTQLQIEISA-N 0 3 270.333 -1.130 20 0 CAADHN CN(C)CCn1nccc1C(=O)N[C@@H]1CN(C)NC1=O ZINC000901322592 656180824 /nfs/dbraw/zinc/18/08/24/656180824.db2.gz JBINIYRMWISISQ-SECBINFHSA-N 0 3 280.332 -1.480 20 0 CAADHN COCCN(C)S(=O)(=O)N1CCNC[C@H]1COC ZINC000903599986 656185188 /nfs/dbraw/zinc/18/51/88/656185188.db2.gz DZWNSODJYHCOJT-JTQLQIEISA-N 0 3 281.378 -1.270 20 0 CAADHN Cn1cnc(CNS(=O)(=O)N2CCNCC2)c1 ZINC000903559601 656185429 /nfs/dbraw/zinc/18/54/29/656185429.db2.gz YTHHDDXAFVRGHR-UHFFFAOYSA-N 0 3 259.335 -1.340 20 0 CAADHN COC[C@H]1CNCCN1S(=O)(=O)C[C@H]1CNCCO1 ZINC000903597865 656185574 /nfs/dbraw/zinc/18/55/74/656185574.db2.gz FUCZAFYERHHQGR-GHMZBOCLSA-N 0 3 293.389 -1.775 20 0 CAADHN COCC[C@@H]1CNCCN1S(=O)(=O)C1CNC1 ZINC000903576191 656185626 /nfs/dbraw/zinc/18/56/26/656185626.db2.gz ONCZTNWAHNSYBS-SECBINFHSA-N 0 3 263.363 -1.402 20 0 CAADHN COc1nn(C)cc1CNS(=O)(=O)N1CCNCC1 ZINC000903559584 656185865 /nfs/dbraw/zinc/18/58/65/656185865.db2.gz YDDLUEKCOZWDDG-UHFFFAOYSA-N 0 3 289.361 -1.332 20 0 CAADHN COC[C@@H]1CNCCN1S(=O)(=O)C[C@@H]1CNCCO1 ZINC000903597867 656186227 /nfs/dbraw/zinc/18/62/27/656186227.db2.gz FUCZAFYERHHQGR-QWRGUYRKSA-N 0 3 293.389 -1.775 20 0 CAADHN O=C(CCN1CCOC[C@@H]1CCO)N1CCNCC1 ZINC000903830272 656187272 /nfs/dbraw/zinc/18/72/72/656187272.db2.gz XTYASYJSPBTSHJ-LBPRGKRZSA-N 0 3 271.361 -1.109 20 0 CAADHN CCS(=O)(=O)NCCNC[C@H](O)C1(O)CCC1 ZINC000905036181 656189108 /nfs/dbraw/zinc/18/91/08/656189108.db2.gz QGLRIDMEMAUJJN-VIFPVBQESA-N 0 3 266.363 -1.209 20 0 CAADHN COC[C@H]1CNCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000905017717 656189387 /nfs/dbraw/zinc/18/93/87/656189387.db2.gz VJZIIEOWCJUOGR-LLVKDONJSA-N 0 3 286.376 -1.547 20 0 CAADHN COC(=O)N1CC(NC[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905178217 656189785 /nfs/dbraw/zinc/18/97/85/656189785.db2.gz SXCDCYHSWUPKEQ-PWSUYJOCSA-N 0 3 274.317 -1.071 20 0 CAADHN CS(=O)(=O)NCCNC[C@@H](O)C1(O)CCC1 ZINC000905023550 656189943 /nfs/dbraw/zinc/18/99/43/656189943.db2.gz IWZSUAURVWWNKL-MRVPVSSYSA-N 0 3 252.336 -1.599 20 0 CAADHN CCNS(=O)(=O)CCNC[C@@H](O)C1(O)CCC1 ZINC000905107233 656190049 /nfs/dbraw/zinc/19/00/49/656190049.db2.gz XGHHYAIBPJGRPT-SECBINFHSA-N 0 3 266.363 -1.209 20 0 CAADHN CN1C[C@@H](NC[C@@H](O)C2(O)CCOCC2)CC1=O ZINC000905086585 656190124 /nfs/dbraw/zinc/19/01/24/656190124.db2.gz DTWHMCJUJMITHL-VHSXEESVSA-N 0 3 258.318 -1.291 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@H](O)C1(O)CCC1 ZINC000905264470 656190754 /nfs/dbraw/zinc/19/07/54/656190754.db2.gz RRRWQZQUCDIBJF-VIFPVBQESA-N 0 3 266.363 -1.257 20 0 CAADHN O=C1[C@@H](NC[C@H](O)C2(O)CCC2)CCCN1CCO ZINC000905367788 656191453 /nfs/dbraw/zinc/19/14/53/656191453.db2.gz VMUUTDULHXYLJA-QWRGUYRKSA-N 0 3 272.345 -1.165 20 0 CAADHN CON(C)C(=O)[C@H](C)NC[C@@H](O)C1(O)CCOCC1 ZINC000905400509 656191500 /nfs/dbraw/zinc/19/15/00/656191500.db2.gz UWAQERJAAAULAA-VHSXEESVSA-N 0 3 276.333 -1.113 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC[C@@H](O)C1(O)CCOCC1 ZINC000905400506 656191733 /nfs/dbraw/zinc/19/17/33/656191733.db2.gz UWAQERJAAAULAA-NXEZZACHSA-N 0 3 276.333 -1.113 20 0 CAADHN O=C(CO)NCCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000906460261 656193323 /nfs/dbraw/zinc/19/33/23/656193323.db2.gz SFKJASDNUNWMSM-MNOVXSKESA-N 0 3 285.344 -1.536 20 0 CAADHN COCCN(C)CCNC(=O)CCNC(=O)CO ZINC000906520575 656193370 /nfs/dbraw/zinc/19/33/70/656193370.db2.gz HAQZTPIWHBOQRC-UHFFFAOYSA-N 0 3 261.322 -1.821 20 0 CAADHN CN1CCN(C)CC(C(=O)NCC[S@](C)=O)C1 ZINC000906605385 656193591 /nfs/dbraw/zinc/19/35/91/656193591.db2.gz UMDLWUBYPFXIQF-KRWDZBQOSA-N 0 3 261.391 -1.026 20 0 CAADHN CN1CCN(C)CC(C(=O)NCC[S@@](C)=O)C1 ZINC000906605386 656193819 /nfs/dbraw/zinc/19/38/19/656193819.db2.gz UMDLWUBYPFXIQF-QGZVFWFLSA-N 0 3 261.391 -1.026 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCNC(=O)CO)C1 ZINC000906620002 656194016 /nfs/dbraw/zinc/19/40/16/656194016.db2.gz VVOSOZUPAXCYSH-SNVBAGLBSA-N 0 3 273.333 -1.678 20 0 CAADHN CS[C@H]1CN(C(=O)CCNC(=O)CO)C[C@H]1N(C)C ZINC000907147020 656196114 /nfs/dbraw/zinc/19/61/14/656196114.db2.gz RGOISPMYRLFXCV-ZJUUUORDSA-N 0 3 289.401 -1.011 20 0 CAADHN CN(C)CCn1nccc1C(=O)NC(C)(CO)CO ZINC000907287994 656196792 /nfs/dbraw/zinc/19/67/92/656196792.db2.gz LNEINEWTUIJJEC-UHFFFAOYSA-N 0 3 270.333 -1.082 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1OCCN(C)C1=O ZINC000907441208 656198054 /nfs/dbraw/zinc/19/80/54/656198054.db2.gz VYQQVZPWPXFZAT-SNVBAGLBSA-N 0 3 273.333 -1.726 20 0 CAADHN Cn1nncc1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000991110880 656209097 /nfs/dbraw/zinc/20/90/97/656209097.db2.gz MFQPAQSSCROAQG-UHFFFAOYSA-N 0 3 292.343 -1.149 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1)N(C)C ZINC000991116994 656209211 /nfs/dbraw/zinc/20/92/11/656209211.db2.gz FTDNBUOHIJQWFM-ZJUUUORDSA-N 0 3 298.343 -1.238 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC000991110828 656209259 /nfs/dbraw/zinc/20/92/59/656209259.db2.gz MTEAFQPRLPVTSE-NXEZZACHSA-N 0 3 296.327 -1.484 20 0 CAADHN O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC000991120331 656209704 /nfs/dbraw/zinc/20/97/04/656209704.db2.gz AIVFRPSCZUVYIP-SNVBAGLBSA-N 0 3 296.327 -1.482 20 0 CAADHN O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000991120328 656209740 /nfs/dbraw/zinc/20/97/40/656209740.db2.gz AIVFRPSCZUVYIP-JTQLQIEISA-N 0 3 296.327 -1.482 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cccn2nnnc12 ZINC000908200650 656210272 /nfs/dbraw/zinc/21/02/72/656210272.db2.gz LBFFKKVHCBFJCU-QMMMGPOBSA-N 0 3 264.289 -1.223 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1COC(=O)N1 ZINC000908201241 656210279 /nfs/dbraw/zinc/21/02/79/656210279.db2.gz CNSGWWPHRQHZLW-RKDXNWHRSA-N 0 3 257.290 -1.332 20 0 CAADHN COC[C@@](C)(O)C(=O)N[C@H](CO)CN1CCCC1 ZINC000908202189 656210490 /nfs/dbraw/zinc/21/04/90/656210490.db2.gz JAUQBFYKOLTDEB-CMPLNLGQSA-N 0 3 260.334 -1.043 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1OCCN(C)C1=O ZINC000908201848 656210520 /nfs/dbraw/zinc/21/05/20/656210520.db2.gz SYWPWMJGORZVFP-DTWKUNHWSA-N 0 3 259.306 -2.118 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1CN([C@@H]2CCOC2)C1 ZINC000908200442 656210790 /nfs/dbraw/zinc/21/07/90/656210790.db2.gz KAXHONKYKUZGEL-VXGBXAGGSA-N 0 3 271.361 -1.254 20 0 CAADHN CCOC(=O)C[C@@H](O)C(=O)N[C@H](CO)CN1CCCC1 ZINC000908204226 656211039 /nfs/dbraw/zinc/21/10/39/656211039.db2.gz PIPTWVQYVLVYMR-WDEREUQCSA-N 0 3 288.344 -1.127 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@H](CO)CN2CCCC2)C1=O ZINC000908206363 656211068 /nfs/dbraw/zinc/21/10/68/656211068.db2.gz BLFLKOWUCUBUEW-WDEREUQCSA-N 0 3 285.344 -1.584 20 0 CAADHN CN1CCO[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1=O ZINC000908204845 656211089 /nfs/dbraw/zinc/21/10/89/656211089.db2.gz XVDMQXLJSONHTH-UTUOFQBUSA-N 0 3 297.355 -1.489 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@]1(O)CCOC1 ZINC000908203267 656211102 /nfs/dbraw/zinc/21/11/02/656211102.db2.gz LXNNUTSJRYDMFF-ZYHUDNBSSA-N 0 3 258.318 -1.289 20 0 CAADHN O=C([C@H]1COC(=O)N1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000908203476 656211227 /nfs/dbraw/zinc/21/12/27/656211227.db2.gz ROQNLKYPFQBDLZ-KXUCPTDWSA-N 0 3 269.301 -1.238 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)/C=C\Cn1cncn1 ZINC000908203103 656211271 /nfs/dbraw/zinc/21/12/71/656211271.db2.gz ZGKHRLBJNIIWMH-UMBAGQNISA-N 0 3 253.306 -1.127 20 0 CAADHN O=C(C[C@@H]1CC(=O)N1)N[C@@H](CO)CN1CCCC1 ZINC000908206344 656211380 /nfs/dbraw/zinc/21/13/80/656211380.db2.gz ZQBQATHVXVEUSE-VHSXEESVSA-N 0 3 255.318 -1.162 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@@H](CO)CN2CCCC2)C1=O ZINC000908202316 656211401 /nfs/dbraw/zinc/21/14/01/656211401.db2.gz BLFLKOWUCUBUEW-GHMZBOCLSA-N 0 3 285.344 -1.584 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H](CO)CN2CCCC2)NC1=O ZINC000908203799 656211441 /nfs/dbraw/zinc/21/14/41/656211441.db2.gz OLCMQTMEEHXDTB-NXEZZACHSA-N 0 3 270.333 -1.417 20 0 CAADHN Cn1cc(C(=O)N[C@H](CO)CN2CCCC2)n(C)c1=O ZINC000908204479 656211529 /nfs/dbraw/zinc/21/15/29/656211529.db2.gz IKTFIAKHARSGAB-JTQLQIEISA-N 0 3 282.344 -1.090 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H](CO)CN1CCCC1 ZINC000908204329 656211621 /nfs/dbraw/zinc/21/16/21/656211621.db2.gz GYTFQTUADGWSOU-LLVKDONJSA-N 0 3 284.360 -2.009 20 0 CAADHN O=C(Cn1cccnc1=O)N[C@H](CO)CN1CCCC1 ZINC000908205275 656211566 /nfs/dbraw/zinc/21/15/66/656211566.db2.gz MQMNTYLRVVEJLP-NSHDSACASA-N 0 3 280.328 -1.184 20 0 CAADHN O=C([C@H]1COC(=O)N1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000908203477 656211610 /nfs/dbraw/zinc/21/16/10/656211610.db2.gz ROQNLKYPFQBDLZ-LPEHRKFASA-N 0 3 269.301 -1.238 20 0 CAADHN O=C(Cn1cncn1)N[C@@H](CO)CN1CCCC1 ZINC000908207353 656211655 /nfs/dbraw/zinc/21/16/55/656211655.db2.gz YNQCZYPUDVCOKE-SNVBAGLBSA-N 0 3 253.306 -1.149 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@@H]2CCCN(CCCO)C2)C1=O ZINC000908541359 656215130 /nfs/dbraw/zinc/21/51/30/656215130.db2.gz QTDMMBHZXPVXDQ-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)CCn1nccc1C(=O)N1CC(O)(CO)C1 ZINC000908477630 656215204 /nfs/dbraw/zinc/21/52/04/656215204.db2.gz CGGUQARTYTVGMP-UHFFFAOYSA-N 0 3 268.317 -1.376 20 0 CAADHN Cn1cnc(C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC000991161952 656216907 /nfs/dbraw/zinc/21/69/07/656216907.db2.gz CGSVDVLYRSXFET-SNVBAGLBSA-N 0 3 292.343 -1.150 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)Nn2ccnn2)CC1=O ZINC000908835209 656216935 /nfs/dbraw/zinc/21/69/35/656216935.db2.gz LINIOMZTAPVRCS-SECBINFHSA-N 0 3 266.305 -1.242 20 0 CAADHN O=C(CNC(=O)[C@H]1COC(=O)N1)NCCN1CCCCC1 ZINC000909312467 656219515 /nfs/dbraw/zinc/21/95/15/656219515.db2.gz JQSPYKKUVDQUPI-SNVBAGLBSA-N 0 3 298.343 -1.187 20 0 CAADHN CN(C)CCCOC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC000910175259 656221594 /nfs/dbraw/zinc/22/15/94/656221594.db2.gz NSVKNXFSMKRPPO-QMMMGPOBSA-N 0 3 278.330 -1.606 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000910472132 656222972 /nfs/dbraw/zinc/22/29/72/656222972.db2.gz HYUMVGMIATZPKT-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000910472131 656223143 /nfs/dbraw/zinc/22/31/43/656223143.db2.gz HYUMVGMIATZPKT-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN CN(C)C1(C(=O)N2CC(S(N)(=O)=O)C2)CCC1 ZINC000910526212 656224066 /nfs/dbraw/zinc/22/40/66/656224066.db2.gz GFVZMQDJVDJGCL-UHFFFAOYSA-N 0 3 261.347 -1.030 20 0 CAADHN CNC(=O)NCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000910899946 656230507 /nfs/dbraw/zinc/23/05/07/656230507.db2.gz XHXYMGPHWOIISJ-SNVBAGLBSA-N 0 3 299.375 -1.558 20 0 CAADHN COC[C@H]1COCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000910902136 656230878 /nfs/dbraw/zinc/23/08/78/656230878.db2.gz MWEAHYHEQKBSSA-NSHDSACASA-N 0 3 287.360 -1.120 20 0 CAADHN O=C(NCCn1cccn1)C(=O)N1CCNCCNCC1 ZINC000910969851 656231128 /nfs/dbraw/zinc/23/11/28/656231128.db2.gz IFSWFQZRFGYOQZ-UHFFFAOYSA-N 0 3 294.359 -1.979 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CNOC1)N1CCCCC1 ZINC000910945701 656231392 /nfs/dbraw/zinc/23/13/92/656231392.db2.gz DKKCJLUXFUSGSP-QWRGUYRKSA-N 0 3 284.360 -1.003 20 0 CAADHN O=C(NCC1CC1)C(=O)N1CCNCCNCC1 ZINC000910940186 656231480 /nfs/dbraw/zinc/23/14/80/656231480.db2.gz ODFWEQKEFJXSQD-UHFFFAOYSA-N 0 3 254.334 -1.466 20 0 CAADHN C[C@]1(CNC(=O)C(=O)N2CCNCCNCC2)CCOC1 ZINC000911007477 656231882 /nfs/dbraw/zinc/23/18/82/656231882.db2.gz KATBCWXGMGNSCY-CQSZACIVSA-N 0 3 298.387 -1.449 20 0 CAADHN CC[C@@H]1OCC[C@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC000911013966 656232158 /nfs/dbraw/zinc/23/21/58/656232158.db2.gz GJEUXUFUDDWPFD-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN CN(CCNC(=O)C(=O)NCCCON)C1CC1 ZINC000911054295 656232947 /nfs/dbraw/zinc/23/29/47/656232947.db2.gz UGMKKBUKQSLYAS-UHFFFAOYSA-N 0 3 258.322 -1.407 20 0 CAADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911056375 656233103 /nfs/dbraw/zinc/23/31/03/656233103.db2.gz VYWSLZGEODUDRJ-WDEREUQCSA-N 0 3 284.360 -1.003 20 0 CAADHN O=C(NCC[C@H]1CCCO1)C(=O)N1CCNCCNCC1 ZINC000911070093 656233465 /nfs/dbraw/zinc/23/34/65/656233465.db2.gz ZYSCJZIOYCTZQP-GFCCVEGCSA-N 0 3 298.387 -1.307 20 0 CAADHN COC[C@@H]1CNCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000911060332 656233487 /nfs/dbraw/zinc/23/34/87/656233487.db2.gz LANCQFLVJMEZIX-LBPRGKRZSA-N 0 3 298.387 -1.356 20 0 CAADHN CSCCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911088768 656234151 /nfs/dbraw/zinc/23/41/51/656234151.db2.gz PBNRECWNCJHHPF-UHFFFAOYSA-N 0 3 288.417 -1.123 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CNOC1 ZINC000911146903 656234789 /nfs/dbraw/zinc/23/47/89/656234789.db2.gz CUCQKUVNVGSFGG-AXFHLTTASA-N 0 3 298.343 -2.015 20 0 CAADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000911162172 656236011 /nfs/dbraw/zinc/23/60/11/656236011.db2.gz QUGSDUWNRVPEIC-MNOVXSKESA-N 0 3 284.360 -1.146 20 0 CAADHN CC1CCN(CCNC(=O)C(=O)N[C@@H]2CNOC2)CC1 ZINC000911161261 656236124 /nfs/dbraw/zinc/23/61/24/656236124.db2.gz JTJXBEBRXQKFCE-LLVKDONJSA-N 0 3 284.360 -1.146 20 0 CAADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911162966 656236168 /nfs/dbraw/zinc/23/61/68/656236168.db2.gz UZIRFBVSDWYTLP-GHMZBOCLSA-N 0 3 284.360 -1.003 20 0 CAADHN COC[C@@H](NC(=O)C(=O)N1CCNCCNCC1)C1CC1 ZINC000911194149 656236569 /nfs/dbraw/zinc/23/65/69/656236569.db2.gz MPXGWRGLKTVXQO-GFCCVEGCSA-N 0 3 298.387 -1.451 20 0 CAADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911212489 656237073 /nfs/dbraw/zinc/23/70/73/656237073.db2.gz ZZSHONUFEIZHFP-GHMZBOCLSA-N 0 3 284.360 -1.003 20 0 CAADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CNOC1 ZINC000911212492 656237390 /nfs/dbraw/zinc/23/73/90/656237390.db2.gz ZZSHONUFEIZHFP-WDEREUQCSA-N 0 3 284.360 -1.003 20 0 CAADHN C[C@@H](NC(=O)C(=O)N[C@@H]1CNOC1)C1=CCN(C)CC1 ZINC000911219524 656237992 /nfs/dbraw/zinc/23/79/92/656237992.db2.gz OLZAPHQFPQGHMA-MWLCHTKSSA-N 0 3 282.344 -1.227 20 0 CAADHN O=C(NCc1ccoc1)C(=O)N1CCNCCNCC1 ZINC000911197726 656238175 /nfs/dbraw/zinc/23/81/75/656238175.db2.gz BNKNPXMHDTXEMV-UHFFFAOYSA-N 0 3 280.328 -1.083 20 0 CAADHN C[C@H](NC(=O)C(=O)N[C@H]1CNOC1)C1=CCN(C)CC1 ZINC000911219525 656238250 /nfs/dbraw/zinc/23/82/50/656238250.db2.gz OLZAPHQFPQGHMA-ONGXEEELSA-N 0 3 282.344 -1.227 20 0 CAADHN CCO[C@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000911309828 656241085 /nfs/dbraw/zinc/24/10/85/656241085.db2.gz HTKBFBLFBZGGQT-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@@H]1COC[C@@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000911309548 656241193 /nfs/dbraw/zinc/24/11/93/656241193.db2.gz FZRBNISQQGKOTP-UTLUCORTSA-N 0 3 271.317 -1.758 20 0 CAADHN COCC1(CNC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000911325803 656241520 /nfs/dbraw/zinc/24/15/20/656241520.db2.gz XRJATKCCVPVMEM-UHFFFAOYSA-N 0 3 298.387 -1.449 20 0 CAADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)N1CCNCCNCC1 ZINC000911323581 656241526 /nfs/dbraw/zinc/24/15/26/656241526.db2.gz SZOMKTAEPSMGNE-UTUOFQBUSA-N 0 3 296.371 -1.556 20 0 CAADHN O=C(NCCc1ccoc1)C(=O)N1CCNCCNCC1 ZINC000911328149 656241560 /nfs/dbraw/zinc/24/15/60/656241560.db2.gz YKQIDANOYYPRRF-UHFFFAOYSA-N 0 3 294.355 -1.040 20 0 CAADHN C[C@H]1COC[C@@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC000911423895 656244330 /nfs/dbraw/zinc/24/43/30/656244330.db2.gz XNVPMHLXZAQLJX-QWRGUYRKSA-N 0 3 284.360 -1.841 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CNOC1 ZINC000911466763 656244827 /nfs/dbraw/zinc/24/48/27/656244827.db2.gz DDLOJJMWZQBPEG-VHSXEESVSA-N 0 3 270.333 -1.394 20 0 CAADHN CC(C)N1CCCN(C(=O)C(=O)N[C@H]2CNOC2)CC1 ZINC000911467177 656245008 /nfs/dbraw/zinc/24/50/08/656245008.db2.gz IAPBJCNLTICEKT-NSHDSACASA-N 0 3 284.360 -1.051 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CNOC1 ZINC000911466762 656245013 /nfs/dbraw/zinc/24/50/13/656245013.db2.gz DDLOJJMWZQBPEG-UWVGGRQHSA-N 0 3 270.333 -1.394 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911454854 656246242 /nfs/dbraw/zinc/24/62/42/656246242.db2.gz ISFKCSGMUUGWSQ-NXEZZACHSA-N 0 3 270.333 -1.441 20 0 CAADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000911462868 656247998 /nfs/dbraw/zinc/24/79/98/656247998.db2.gz CJJYMLTYISMDFB-GHMZBOCLSA-N 0 3 284.360 -1.053 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CNOC1 ZINC000911463179 656248335 /nfs/dbraw/zinc/24/83/35/656248335.db2.gz ISFKCSGMUUGWSQ-UWVGGRQHSA-N 0 3 270.333 -1.441 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CNOC1 ZINC000911463180 656248364 /nfs/dbraw/zinc/24/83/64/656248364.db2.gz ISFKCSGMUUGWSQ-VHSXEESVSA-N 0 3 270.333 -1.441 20 0 CAADHN O=C(NCCO[C@@H]1CCOC1)C(=O)N1CCCNCC1 ZINC000911481923 656248643 /nfs/dbraw/zinc/24/86/43/656248643.db2.gz XRFLPOQONMDEDW-LLVKDONJSA-N 0 3 285.344 -1.270 20 0 CAADHN COc1nn(C)cc1CNC(=O)C(=O)N1CCCNCC1 ZINC000911535096 656249513 /nfs/dbraw/zinc/24/95/13/656249513.db2.gz ZGZFEPSXBMRCJD-UHFFFAOYSA-N 0 3 295.343 -1.133 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCCCON ZINC000911513932 656249756 /nfs/dbraw/zinc/24/97/56/656249756.db2.gz MXBDALXXTSIVCV-JTQLQIEISA-N 0 3 272.349 -1.017 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCCCON ZINC000911513584 656249990 /nfs/dbraw/zinc/24/99/90/656249990.db2.gz GBHBNWGWYKXVGT-UHFFFAOYSA-N 0 3 272.349 -1.064 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCCCON ZINC000911513933 656250105 /nfs/dbraw/zinc/25/01/05/656250105.db2.gz MXBDALXXTSIVCV-SNVBAGLBSA-N 0 3 272.349 -1.017 20 0 CAADHN CN1CCC(N(CCO)C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000911948041 656256227 /nfs/dbraw/zinc/25/62/27/656256227.db2.gz XWZPUILIKYRLOB-JTQLQIEISA-N 0 3 255.318 -1.210 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@]1(C)CN2CCC1CC2 ZINC000912378328 656259716 /nfs/dbraw/zinc/25/97/16/656259716.db2.gz HIWXEMKOHLWBGU-CQSZACIVSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H](O)C(C)(C)O ZINC000912461652 656260525 /nfs/dbraw/zinc/26/05/25/656260525.db2.gz KUOUOAFFLLRVPO-NSHDSACASA-N 0 3 289.376 -1.403 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000912600196 656261915 /nfs/dbraw/zinc/26/19/15/656261915.db2.gz UQFMOIMYEAPMCH-SECBINFHSA-N 0 3 279.362 -1.939 20 0 CAADHN CN(CCO)CCN(C)C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000912605962 656262107 /nfs/dbraw/zinc/26/21/07/656262107.db2.gz DZXIVFXIVYSZGQ-UHFFFAOYSA-N 0 3 298.343 -1.920 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CCN(C)S1(=O)=O ZINC000912600149 656262120 /nfs/dbraw/zinc/26/21/20/656262120.db2.gz SAZQOQQQWKSXJZ-SNVBAGLBSA-N 0 3 293.389 -1.597 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H](O)Cc1cnn(C)c1 ZINC000912605426 656262158 /nfs/dbraw/zinc/26/21/58/656262158.db2.gz SQHUNGBLSBEVPR-GFCCVEGCSA-N 0 3 284.360 -1.294 20 0 CAADHN C[C@@H](CC(=O)N(C)CCN(C)CCO)NC(N)=O ZINC000912599563 656262234 /nfs/dbraw/zinc/26/22/34/656262234.db2.gz OJGDHXWIHJQSAX-VIFPVBQESA-N 0 3 260.338 -1.184 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000912600197 656262368 /nfs/dbraw/zinc/26/23/68/656262368.db2.gz UQFMOIMYEAPMCH-VIFPVBQESA-N 0 3 279.362 -1.939 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000912605427 656262723 /nfs/dbraw/zinc/26/27/23/656262723.db2.gz SQHUNGBLSBEVPR-LBPRGKRZSA-N 0 3 284.360 -1.294 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC000912599377 656262760 /nfs/dbraw/zinc/26/27/60/656262760.db2.gz PGDUTLAMQGSWLP-SECBINFHSA-N 0 3 258.322 -1.608 20 0 CAADHN C[C@H]1OC(=O)N[C@H]1C(=O)N(C)CCN(C)CCO ZINC000912605136 656262956 /nfs/dbraw/zinc/26/29/56/656262956.db2.gz FVKQBAOFYZNPMY-RKDXNWHRSA-N 0 3 259.306 -1.134 20 0 CAADHN CN(CCO)CCN(C)C(=O)CN1CCOCC1 ZINC000912608018 656263430 /nfs/dbraw/zinc/26/34/30/656263430.db2.gz POCWOXDIEBVUBK-UHFFFAOYSA-N 0 3 259.350 -1.299 20 0 CAADHN CN(CC(=O)N1CC(NS(N)(=O)=O)C1)C1CCC1 ZINC000913055291 656271212 /nfs/dbraw/zinc/27/12/12/656271212.db2.gz XGNOJUCHPOWBQL-UHFFFAOYSA-N 0 3 276.362 -1.525 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924852079 656269264 /nfs/dbraw/zinc/26/92/64/656269264.db2.gz DCPKVDBKXVFQNZ-YUMQZZPRSA-N 0 3 256.306 -1.055 20 0 CAADHN CN(CC(=O)N1CC(NS(N)(=O)=O)C1)CC(C)(C)C ZINC000913054845 656270086 /nfs/dbraw/zinc/27/00/86/656270086.db2.gz LDCSPXSSKBAYDP-UHFFFAOYSA-N 0 3 292.405 -1.032 20 0 CAADHN NS(=O)(=O)NC1CN(C(=O)[C@H]2CCCN2C2CC2)C1 ZINC000913054975 656271029 /nfs/dbraw/zinc/27/10/29/656271029.db2.gz QOMRTJROOCTFIU-SNVBAGLBSA-N 0 3 288.373 -1.383 20 0 CAADHN CC(C)[C@H](C(=O)N1CC(NS(N)(=O)=O)C1)N(C)C ZINC000913056551 656271496 /nfs/dbraw/zinc/27/14/96/656271496.db2.gz ULCUQNQTBWBILM-SECBINFHSA-N 0 3 278.378 -1.424 20 0 CAADHN CC[C@@H](C(=O)N1CC(NS(N)(=O)=O)C1)N(C)C ZINC000913056502 656271613 /nfs/dbraw/zinc/27/16/13/656271613.db2.gz SCHNOUAOSYCACX-QMMMGPOBSA-N 0 3 264.351 -1.670 20 0 CAADHN CCCN1CCC[C@@H]1C(=O)N1CC(O)(C(N)=O)C1 ZINC000913075140 656271817 /nfs/dbraw/zinc/27/18/17/656271817.db2.gz MCYUWQOCELBDCZ-SECBINFHSA-N 0 3 255.318 -1.081 20 0 CAADHN CN1C[C@@H](O)C[C@]1(C)C(=O)NCCN1CC[C@@H](O)C1 ZINC000913170917 656272248 /nfs/dbraw/zinc/27/22/48/656272248.db2.gz CBSRVLHTYLXUKN-NTZNESFSSA-N 0 3 271.361 -1.376 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC[C@]1(CO)COCCN1 ZINC000913178278 656272728 /nfs/dbraw/zinc/27/27/28/656272728.db2.gz DVAGVTASXYQOTE-PWSUYJOCSA-N 0 3 257.334 -1.452 20 0 CAADHN CN1C[C@H](O)C[C@@]1(C)C(=O)NCCN1CC[C@@H](O)C1 ZINC000913170918 656273256 /nfs/dbraw/zinc/27/32/56/656273256.db2.gz CBSRVLHTYLXUKN-WZRBSPASSA-N 0 3 271.361 -1.376 20 0 CAADHN CN1C[C@H](O)C[C@]1(C)C(=O)NC[C@@]1(CO)COCCN1 ZINC000913177985 656273413 /nfs/dbraw/zinc/27/34/13/656273413.db2.gz BLUSYFMUOFBTKS-RAIGVLPGSA-N 0 3 287.360 -2.091 20 0 CAADHN O=C(CN1CCCC1)NC[C@]1(CO)COCCN1 ZINC000913182061 656274369 /nfs/dbraw/zinc/27/43/69/656274369.db2.gz CQHFGBLQWCQTLC-LBPRGKRZSA-N 0 3 257.334 -1.451 20 0 CAADHN CCN(CC(=O)NC[C@]1(CO)COCCN1)C1CC1 ZINC000913184185 656275685 /nfs/dbraw/zinc/27/56/85/656275685.db2.gz ZEXXGFSGAIRKQE-ZDUSSCGKSA-N 0 3 271.361 -1.062 20 0 CAADHN CC[C@@H](C(=O)NC[C@@]1(CO)COCCN1)N(C)C ZINC000913187480 656277460 /nfs/dbraw/zinc/27/74/60/656277460.db2.gz ZNAWMBYJTCZASA-CMPLNLGQSA-N 0 3 259.350 -1.206 20 0 CAADHN CN1CCCC[C@H]1C(=O)NC[C@@]1(CO)COCCN1 ZINC000913186521 656277682 /nfs/dbraw/zinc/27/76/82/656277682.db2.gz IRWWUFWGSGTEMX-WCQYABFASA-N 0 3 271.361 -1.062 20 0 CAADHN CN1CCCC[C@@H]1C(=O)NC[C@]1(CO)COCCN1 ZINC000913188458 656277996 /nfs/dbraw/zinc/27/79/96/656277996.db2.gz IRWWUFWGSGTEMX-YPMHNXCESA-N 0 3 271.361 -1.062 20 0 CAADHN CN1CCCC[C@H]1C(=O)NC[C@]1(CO)COCCN1 ZINC000913186520 656278082 /nfs/dbraw/zinc/27/80/82/656278082.db2.gz IRWWUFWGSGTEMX-AAEUAGOBSA-N 0 3 271.361 -1.062 20 0 CAADHN CN1C[C@@H](O)C[C@]1(C)C(=O)NCCN1CC[C@H](O)C1 ZINC000913351303 656281484 /nfs/dbraw/zinc/28/14/84/656281484.db2.gz CBSRVLHTYLXUKN-GMXVVIOVSA-N 0 3 271.361 -1.376 20 0 CAADHN CN1C[C@H](O)C[C@]1(C)C(=O)NCCN1CC[C@H](O)C1 ZINC000913351302 656281854 /nfs/dbraw/zinc/28/18/54/656281854.db2.gz CBSRVLHTYLXUKN-DMDPSCGWSA-N 0 3 271.361 -1.376 20 0 CAADHN CN1C[C@H](O)C[C@@]1(C)C(=O)NCCN1CC[C@H](O)C1 ZINC000913351305 656281977 /nfs/dbraw/zinc/28/19/77/656281977.db2.gz CBSRVLHTYLXUKN-LOWVWBTDSA-N 0 3 271.361 -1.376 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CC(=O)NCC2CC2)C1=O ZINC000924857847 656282412 /nfs/dbraw/zinc/28/24/12/656282412.db2.gz XADSBGVTCMRBCG-SECBINFHSA-N 0 3 268.317 -1.005 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1=O ZINC000913427348 656283177 /nfs/dbraw/zinc/28/31/77/656283177.db2.gz HACLKPKEJASIEL-WDEREUQCSA-N 0 3 299.371 -1.195 20 0 CAADHN CN1CCN(C(=O)CCc2cnn[nH]2)C[C@H]1CO ZINC000913542129 656285452 /nfs/dbraw/zinc/28/54/52/656285452.db2.gz CQMKLEWKCILCRT-JTQLQIEISA-N 0 3 253.306 -1.128 20 0 CAADHN CC(C)N1CCC[C@@H]1C(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000991490936 656288148 /nfs/dbraw/zinc/28/81/48/656288148.db2.gz XBVWJFPRGBJCGZ-SNVBAGLBSA-N 0 3 282.344 -1.329 20 0 CAADHN CNC(=O)CCNS(=O)(=O)N1CCNCC1 ZINC000045011745 656288416 /nfs/dbraw/zinc/28/84/16/656288416.db2.gz SSZKBYOSRZXIHQ-UHFFFAOYSA-N 0 3 250.324 -2.138 20 0 CAADHN C[C@@H](O)CN1CCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001030034372 656288707 /nfs/dbraw/zinc/28/87/07/656288707.db2.gz UCWRNIFBLJPYFJ-UTLUCORTSA-N 0 3 298.343 -1.454 20 0 CAADHN COCCN(C)CCN1C(=O)N[C@@H]([C@@H](C)O)C1=O ZINC000349362843 656289529 /nfs/dbraw/zinc/28/95/29/656289529.db2.gz GAVGBHMUAMCXOJ-BDAKNGLRSA-N 0 3 259.306 -1.134 20 0 CAADHN Cc1cc(N2CCN(CC(N)=O)CC2)nc(N)n1 ZINC000045725092 656295892 /nfs/dbraw/zinc/29/58/92/656295892.db2.gz GCWOJPRDKZWCCJ-UHFFFAOYSA-N 0 3 250.306 -1.025 20 0 CAADHN CCNS(=O)(=O)CCNC(=O)C[C@H]1CNCCO1 ZINC000226338294 656303343 /nfs/dbraw/zinc/30/33/43/656303343.db2.gz JWESBRGNNBDQBU-VIFPVBQESA-N 0 3 279.362 -1.580 20 0 CAADHN CCNS(=O)(=O)CCNC(=O)C[C@@H]1CNCCO1 ZINC000226338287 656303373 /nfs/dbraw/zinc/30/33/73/656303373.db2.gz JWESBRGNNBDQBU-SECBINFHSA-N 0 3 279.362 -1.580 20 0 CAADHN Cc1c(CNS(=O)(=O)N2CCNCC2)cnn1C ZINC000226426401 656304563 /nfs/dbraw/zinc/30/45/63/656304563.db2.gz FAVLKVDVXBZNSZ-UHFFFAOYSA-N 0 3 273.362 -1.032 20 0 CAADHN CNC(=O)CN1CC(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001030348633 656305077 /nfs/dbraw/zinc/30/50/77/656305077.db2.gz VRNFLEGDLQVUDE-RYUDHWBXSA-N 0 3 296.371 -1.604 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000227365063 656309535 /nfs/dbraw/zinc/30/95/35/656309535.db2.gz QWMLYSOGSQRZBV-VIFPVBQESA-N 0 3 294.377 -2.089 20 0 CAADHN Cc1c[nH]cc1C(=O)N1CCC(NC(=O)C(N)=O)C(O)C1 ZINC000991736294 656311053 /nfs/dbraw/zinc/31/10/53/656311053.db2.gz JFLWWKMDQJMHKM-NXEZZACHSA-N 0 3 294.311 -1.500 20 0 CAADHN C[C@@H](CCCO)NS(=O)(=O)N1CCNCC1 ZINC000087360503 656314035 /nfs/dbraw/zinc/31/40/35/656314035.db2.gz QVQZNGYWMDDJMC-VIFPVBQESA-N 0 3 251.352 -1.113 20 0 CAADHN C[C@H](CCCO)NS(=O)(=O)N1CCNCC1 ZINC000087360504 656314094 /nfs/dbraw/zinc/31/40/94/656314094.db2.gz QVQZNGYWMDDJMC-SECBINFHSA-N 0 3 251.352 -1.113 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)Cn2ncnn2)C1)N(C)C ZINC000991868761 656317768 /nfs/dbraw/zinc/31/77/68/656317768.db2.gz NQXAHBQNQFPGQD-JTQLQIEISA-N 0 3 295.347 -1.660 20 0 CAADHN NC(=O)c1ccc(CC(=O)N[C@@H]2CCN(CCO)C2)cn1 ZINC001014942336 656320479 /nfs/dbraw/zinc/32/04/79/656320479.db2.gz SWTIKOQCOZCWSZ-LLVKDONJSA-N 0 3 292.339 -1.094 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000346195798 656321091 /nfs/dbraw/zinc/32/10/91/656321091.db2.gz QXQOBLFUZOLAHT-LBPRGKRZSA-N 0 3 284.360 -1.246 20 0 CAADHN CNC(=O)C(C)(C)CNS(=O)(=O)N1CCNCC1 ZINC000230400750 656321683 /nfs/dbraw/zinc/32/16/83/656321683.db2.gz LSBLHRRMVXMVBK-UHFFFAOYSA-N 0 3 278.378 -1.502 20 0 CAADHN CCn1cnnc1CNS(=O)(=O)N1CCNCC1 ZINC000230757491 656322410 /nfs/dbraw/zinc/32/24/10/656322410.db2.gz PJQMJFOTKCPULE-UHFFFAOYSA-N 0 3 274.350 -1.462 20 0 CAADHN NC(=O)CN1CC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001030705908 656324160 /nfs/dbraw/zinc/32/41/60/656324160.db2.gz PARWVTSXYHIZEL-ZQDGQSPWSA-N 0 3 294.355 -1.865 20 0 CAADHN O=C(NC1CN(CCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001030704387 656324246 /nfs/dbraw/zinc/32/42/46/656324246.db2.gz BMKPJHJXYDIGRK-KSGYAGIASA-N 0 3 281.356 -1.358 20 0 CAADHN COCCN(CCO)C[C@H](O)C1(O)CCOCC1 ZINC000929485447 656325983 /nfs/dbraw/zinc/32/59/83/656325983.db2.gz IQMXMKPDWOXAJN-NSHDSACASA-N 0 3 263.334 -1.171 20 0 CAADHN COC[C@@H](C)N1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015012022 656326893 /nfs/dbraw/zinc/32/68/93/656326893.db2.gz ZLCUBLKYCLDISR-MNOVXSKESA-N 0 3 297.359 -1.193 20 0 CAADHN CN1CC[C@H](N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@H]23)C1=O ZINC000992146803 656329700 /nfs/dbraw/zinc/32/97/00/656329700.db2.gz SZHHFHHFNDGITP-BHDSKKPTSA-N 0 3 294.355 -1.184 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@H]1N([C@@H]1CCCNC1=O)CC2 ZINC000992147909 656330352 /nfs/dbraw/zinc/33/03/52/656330352.db2.gz XDMAKQDVTBGTIY-RULNRJAQSA-N 0 3 294.355 -1.137 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015137529 656337372 /nfs/dbraw/zinc/33/73/72/656337372.db2.gz MUHJVMCVEWBXJF-UWVGGRQHSA-N 0 3 296.327 -1.480 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCN(CCCO)C1 ZINC001015140401 656337398 /nfs/dbraw/zinc/33/73/98/656337398.db2.gz ULXGGVQYPFOJKY-SNVBAGLBSA-N 0 3 296.327 -1.478 20 0 CAADHN NC(=O)CN1CC[C@]2(NC(=O)Cc3nnc[nH]3)CCC[C@H]12 ZINC000992401080 656337780 /nfs/dbraw/zinc/33/77/80/656337780.db2.gz DXBXUWIOPBMXJK-TVQRCGJNSA-N 0 3 292.343 -1.054 20 0 CAADHN NC(=O)CN1CC[C@@]2(NC(=O)Cc3nnc[nH]3)CCC[C@@H]12 ZINC000992401076 656338082 /nfs/dbraw/zinc/33/80/82/656338082.db2.gz DXBXUWIOPBMXJK-RNCFNFMXSA-N 0 3 292.343 -1.054 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2CN(Cc3nnn(C)n3)C2)C1 ZINC001030960057 656341497 /nfs/dbraw/zinc/34/14/97/656341497.db2.gz ORFOGFGGXQCGBE-SNVBAGLBSA-N 0 3 293.375 -1.148 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2CN(Cc3nnnn3C)C2)C1 ZINC001030959178 656341636 /nfs/dbraw/zinc/34/16/36/656341636.db2.gz FBZIMCVACJJGDX-JTQLQIEISA-N 0 3 293.375 -1.148 20 0 CAADHN CN(C)CC(=O)NC[C@H](CO)NC(=O)CN(C)C ZINC000913915838 656341947 /nfs/dbraw/zinc/34/19/47/656341947.db2.gz QBXIIFXCKLVRJY-SECBINFHSA-N 0 3 260.338 -2.297 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2CN(CC(N)=O)C2)C1 ZINC001030960981 656342262 /nfs/dbraw/zinc/34/22/62/656342262.db2.gz XTKMUTZRFDDJFV-VIFPVBQESA-N 0 3 254.334 -1.386 20 0 CAADHN C[C@H]1[C@H](NC(=O)NCCNS(C)(=O)=O)CCN1C ZINC000914004189 656343003 /nfs/dbraw/zinc/34/30/03/656343003.db2.gz CUKMWSSVOBDCTA-DTWKUNHWSA-N 0 3 278.378 -1.073 20 0 CAADHN C[C@@H]1[C@H](NC(=O)NCCNS(C)(=O)=O)CCN1C ZINC000914004191 656343375 /nfs/dbraw/zinc/34/33/75/656343375.db2.gz CUKMWSSVOBDCTA-RKDXNWHRSA-N 0 3 278.378 -1.073 20 0 CAADHN CN(C)C[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CCO1 ZINC000914123478 656344420 /nfs/dbraw/zinc/34/44/20/656344420.db2.gz UOCLHRSCEGHXBS-GMTAPVOTSA-N 0 3 294.373 -1.662 20 0 CAADHN CN(C)C[C@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)CCO1 ZINC000914123479 656344760 /nfs/dbraw/zinc/34/47/60/656344760.db2.gz UOCLHRSCEGHXBS-HBNTYKKESA-N 0 3 294.373 -1.662 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)C[C@@H]1N(C)C ZINC000914241355 656346401 /nfs/dbraw/zinc/34/64/01/656346401.db2.gz JNJPMQIYTFPJFX-LMLFDSFASA-N 0 3 278.374 -1.042 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)C[C@H]1N(C)C ZINC000914241354 656346705 /nfs/dbraw/zinc/34/67/05/656346705.db2.gz JNJPMQIYTFPJFX-GWOFURMSSA-N 0 3 278.374 -1.042 20 0 CAADHN O=S(=O)(C[C@@]12CCN(C1)CCC2)N1C[C@@H](O)[C@@H](O)C1 ZINC000914316346 656347221 /nfs/dbraw/zinc/34/72/21/656347221.db2.gz QUGRLNZHQNBLCU-TUAOUCFPSA-N 0 3 290.385 -1.161 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCCN1CCO ZINC000993020597 656350108 /nfs/dbraw/zinc/35/01/08/656350108.db2.gz YFPYFBWUTSDLKA-ZJUUUORDSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@H]1[C@@H](NC(=O)CN2CN=NC2=O)CCCN1CCO ZINC000993216973 656355897 /nfs/dbraw/zinc/35/58/97/656355897.db2.gz OKMXWRQUAHQHFH-UWVGGRQHSA-N 0 3 283.332 -1.055 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CCCN1CCO ZINC000993350937 656359017 /nfs/dbraw/zinc/35/90/17/656359017.db2.gz NWYJJYXKZRDRDP-ZJUUUORDSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@@H]1[C@H](NC(=O)Cn2ncn(C)c2=O)CCCN1CCO ZINC000993518471 656360764 /nfs/dbraw/zinc/36/07/64/656360764.db2.gz YXZMHVAZVXMZOJ-GHMZBOCLSA-N 0 3 297.359 -1.457 20 0 CAADHN COCC(=O)N1CC(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000993575171 656360805 /nfs/dbraw/zinc/36/08/05/656360805.db2.gz FWCWQNZZTYMWIN-NEPJUHHUSA-N 0 3 297.355 -1.177 20 0 CAADHN COCC(=O)N1CC(NC(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000993575173 656360829 /nfs/dbraw/zinc/36/08/29/656360829.db2.gz FWCWQNZZTYMWIN-NWDGAFQWSA-N 0 3 297.355 -1.177 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCCN1CCO ZINC000993518474 656360934 /nfs/dbraw/zinc/36/09/34/656360934.db2.gz YXZMHVAZVXMZOJ-MNOVXSKESA-N 0 3 297.359 -1.457 20 0 CAADHN COCC(=O)N1CC(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000993575174 656360978 /nfs/dbraw/zinc/36/09/78/656360978.db2.gz FWCWQNZZTYMWIN-RYUDHWBXSA-N 0 3 297.355 -1.177 20 0 CAADHN NC(=O)C(=O)N1CC(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000993573449 656361077 /nfs/dbraw/zinc/36/10/77/656361077.db2.gz YFYSSDPKMWZNBD-NXEZZACHSA-N 0 3 296.327 -2.338 20 0 CAADHN C[C@@H]1CC[C@H](C)N1CC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000993845169 656361886 /nfs/dbraw/zinc/36/18/86/656361886.db2.gz MSGOBGYVOUDWML-DTORHVGOSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000993845175 656362323 /nfs/dbraw/zinc/36/23/23/656362323.db2.gz MSGOBGYVOUDWML-RKDXNWHRSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H]1CC[C@H](C)N1CC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000993845172 656362338 /nfs/dbraw/zinc/36/23/38/656362338.db2.gz MSGOBGYVOUDWML-IUCAKERBSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H]1[C@H](NC(=O)CN2CC(=O)NC2=O)CCCN1CCO ZINC000994016046 656362590 /nfs/dbraw/zinc/36/25/90/656362590.db2.gz CBCAMFYKDGZLDU-VHSXEESVSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CCCN1CCO ZINC000994016049 656363044 /nfs/dbraw/zinc/36/30/44/656363044.db2.gz CBCAMFYKDGZLDU-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CN(CC(N)=O)C1 ZINC001031313602 656363916 /nfs/dbraw/zinc/36/39/16/656363916.db2.gz QFXJOHSIDHQYJD-UHFFFAOYSA-N 0 3 251.290 -1.454 20 0 CAADHN CN1CC[C@@H](CNS(=O)(=O)[C@@H]2COC[C@H]2O)C1 ZINC000916186707 656364060 /nfs/dbraw/zinc/36/40/60/656364060.db2.gz LCEGTQHLXMCCFU-IVZWLZJFSA-N 0 3 264.347 -1.383 20 0 CAADHN CN1CC[C@@H]2CN(S(=O)(=O)[C@@H]3COC[C@H]3O)C[C@@H]2C1 ZINC000916660546 656365105 /nfs/dbraw/zinc/36/51/05/656365105.db2.gz RBWNOOZXSJRTEW-WRWGMCAJSA-N 0 3 290.385 -1.041 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCCN1CCO ZINC000994368680 656365195 /nfs/dbraw/zinc/36/51/95/656365195.db2.gz WAXPWDRIIDRPMR-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN CN1CCC2(CC1)NC(=O)N(CN1CCNC(=O)C1)C2=O ZINC000917064955 656366894 /nfs/dbraw/zinc/36/68/94/656366894.db2.gz LMPKXGVOAMMPMJ-UHFFFAOYSA-N 0 3 295.343 -1.608 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCOC[C@H]1CO ZINC000917275757 656367718 /nfs/dbraw/zinc/36/77/18/656367718.db2.gz MGXHLDZEYAZTKG-SNVBAGLBSA-N 0 3 266.363 -1.039 20 0 CAADHN C[C@@H](O)[C@H](O)CN1CCN(C[C@@H](O)[C@H](C)O)CC1(C)C ZINC000929999946 656370044 /nfs/dbraw/zinc/37/00/44/656370044.db2.gz WLQFWBSLGOSBII-UMSGYPCISA-N 0 3 290.404 -1.134 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCN(C[C@@H](O)[C@H](C)O)C(C)(C)C1 ZINC000929999947 656370477 /nfs/dbraw/zinc/37/04/77/656370477.db2.gz WLQFWBSLGOSBII-WUHRBBMRSA-N 0 3 290.404 -1.134 20 0 CAADHN C[C@@H](O)[C@@H](O)CN1CCN(C[C@@H](O)[C@H](C)O)CC1(C)C ZINC000929999944 656370538 /nfs/dbraw/zinc/37/05/38/656370538.db2.gz WLQFWBSLGOSBII-LOWDOPEQSA-N 0 3 290.404 -1.134 20 0 CAADHN CCC[C@H]1CN(C[C@H](O)CO)CCN1C[C@H](O)CO ZINC000930022097 656371263 /nfs/dbraw/zinc/37/12/63/656371263.db2.gz SWTMZHLDAJNREY-AVGNSLFASA-N 0 3 276.377 -1.521 20 0 CAADHN CCC[C@@H]1CN(C[C@@H](O)CO)CCN1C[C@@H](O)CO ZINC000930022098 656371769 /nfs/dbraw/zinc/37/17/69/656371769.db2.gz SWTMZHLDAJNREY-JHJVBQTASA-N 0 3 276.377 -1.521 20 0 CAADHN NS(=O)(=O)C1CN(C(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000918891685 656374453 /nfs/dbraw/zinc/37/44/53/656374453.db2.gz ATJDLCVHPDTPQQ-QMMMGPOBSA-N 0 3 288.373 -1.095 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(CCO)C2)C1=O ZINC001015785885 656374600 /nfs/dbraw/zinc/37/46/00/656374600.db2.gz FCAVFWVDACXSHG-QMMMGPOBSA-N 0 3 298.299 -2.410 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@H]1COCCO1 ZINC001031557971 656375310 /nfs/dbraw/zinc/37/53/10/656375310.db2.gz NFFXIVYLLWJJCJ-LLVKDONJSA-N 0 3 258.318 -1.168 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001031584273 656376541 /nfs/dbraw/zinc/37/65/41/656376541.db2.gz AYSKGMNVBDGGII-PSASIEDQSA-N 0 3 255.318 -1.306 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788236 656376560 /nfs/dbraw/zinc/37/65/60/656376560.db2.gz CANXHYYRVGLQIZ-VIFPVBQESA-N 0 3 280.328 -1.092 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001031597397 656377673 /nfs/dbraw/zinc/37/76/73/656377673.db2.gz ZNQSGOXPARJTRQ-JQWIXIFHSA-N 0 3 271.361 -1.254 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2COCCN2C)C1 ZINC001031620689 656378018 /nfs/dbraw/zinc/37/80/18/656378018.db2.gz BENWCFHGUIKQOS-CMPLNLGQSA-N 0 3 271.361 -1.254 20 0 CAADHN CN1CCOC[C@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031623397 656378669 /nfs/dbraw/zinc/37/86/69/656378669.db2.gz CIXSWFFZIOSMLQ-LBPRGKRZSA-N 0 3 271.361 -1.253 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001031646411 656380812 /nfs/dbraw/zinc/38/08/12/656380812.db2.gz BLTPNDVJNXYGDG-VXNVDRBHSA-N 0 3 257.290 -1.476 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001031711594 656384702 /nfs/dbraw/zinc/38/47/02/656384702.db2.gz IVPAJWKWNUYABP-GXSJLCMTSA-N 0 3 269.345 -1.107 20 0 CAADHN CCS(=O)(=O)CCNS(=O)(=O)N1CCNCC1 ZINC000233829675 656385423 /nfs/dbraw/zinc/38/54/23/656385423.db2.gz XFJWIAQFYACGOA-UHFFFAOYSA-N 0 3 285.391 -1.839 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2CCN(C(=O)C(N)=O)CC2)C1 ZINC000948080338 656384797 /nfs/dbraw/zinc/38/47/97/656384797.db2.gz KOBVECAFCHBMCU-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000938385646 656385382 /nfs/dbraw/zinc/38/53/82/656385382.db2.gz IZNSSIGVXGWRMG-QMMMGPOBSA-N 0 3 279.300 -1.537 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938586129 656388593 /nfs/dbraw/zinc/38/85/93/656388593.db2.gz IFVQTZOEZCTASO-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001031748817 656390669 /nfs/dbraw/zinc/39/06/69/656390669.db2.gz JGLFYQOOLWUIBA-KOLCDFICSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NCC(N)=O ZINC000939038711 656391045 /nfs/dbraw/zinc/39/10/45/656391045.db2.gz AMAPLLPIRUBSFG-HTQZYQBOSA-N 0 3 268.317 -1.826 20 0 CAADHN C[C@@H]1CN(C(=O)c2cccc(=O)n2C)C[C@H]1NCC(N)=O ZINC000939111828 656392188 /nfs/dbraw/zinc/39/21/88/656392188.db2.gz DDFJIGBAVZXZEP-NXEZZACHSA-N 0 3 292.339 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)C[C@H]1NCC(N)=O ZINC000939154089 656392342 /nfs/dbraw/zinc/39/23/42/656392342.db2.gz ZSKODMGRWSZYNO-GMSGAONNSA-N 0 3 293.327 -1.351 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc(C(N)=O)co2)C[C@H]1NCC(N)=O ZINC000939128216 656392581 /nfs/dbraw/zinc/39/25/81/656392581.db2.gz IJOFMKXBNMLVJZ-VXNVDRBHSA-N 0 3 294.311 -1.086 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@H]1CCC(=O)NC1 ZINC001031803381 656392770 /nfs/dbraw/zinc/39/27/70/656392770.db2.gz BNIZSFKICDVOJP-NSHDSACASA-N 0 3 269.345 -1.057 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001031801923 656393164 /nfs/dbraw/zinc/39/31/64/656393164.db2.gz IGBJOHDIKOHEQQ-ONGXEEELSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1NCC(N)=O ZINC000939310598 656393665 /nfs/dbraw/zinc/39/36/65/656393665.db2.gz ZSLKETJBMMIUBF-CBAPKCEASA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@@H]1NCC(N)=O ZINC000939305298 656394036 /nfs/dbraw/zinc/39/40/36/656394036.db2.gz YLZZXPMFDMYWFR-CBAPKCEASA-N 0 3 296.327 -2.039 20 0 CAADHN C[C@@H]1CCN(CC(=O)N(C)[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000939377223 656394961 /nfs/dbraw/zinc/39/49/61/656394961.db2.gz XFUMHMILTOWEFS-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1NCC(N)=O ZINC000939389548 656395466 /nfs/dbraw/zinc/39/54/66/656395466.db2.gz UKBTZKQILMVPNY-RKDXNWHRSA-N 0 3 281.320 -2.015 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1NCC(N)=O ZINC000939412853 656396015 /nfs/dbraw/zinc/39/60/15/656396015.db2.gz HQODMONALZGEDS-RKDXNWHRSA-N 0 3 265.317 -1.126 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](NC(=O)C(N)=O)C2)C1 ZINC000939700695 656398427 /nfs/dbraw/zinc/39/84/27/656398427.db2.gz PKFKUSSKNZFWBG-GMTAPVOTSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000939700163 656398497 /nfs/dbraw/zinc/39/84/97/656398497.db2.gz QUSWRQGTSCVABX-QWRGUYRKSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)C[C@H]1NCCF ZINC000939821445 656399747 /nfs/dbraw/zinc/39/97/47/656399747.db2.gz WUIBXQFNFZUODK-RKDXNWHRSA-N 0 3 298.322 -1.217 20 0 CAADHN C[C@@H]1CN(C(=O)CCc2cn(C)nn2)C[C@H]1NCC(N)=O ZINC000939873225 656399862 /nfs/dbraw/zinc/39/98/62/656399862.db2.gz IEFZVPIENDCJCS-MWLCHTKSSA-N 0 3 294.359 -1.331 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@@H]1CCNC1=O ZINC001031899340 656402979 /nfs/dbraw/zinc/40/29/79/656402979.db2.gz XOPNFPLQGBHYHC-SNVBAGLBSA-N 0 3 255.318 -1.447 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001031903233 656404576 /nfs/dbraw/zinc/40/45/76/656404576.db2.gz XOVIOYKMVHTLFG-SCZZXKLOSA-N 0 3 255.318 -1.449 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001031903234 656404630 /nfs/dbraw/zinc/40/46/30/656404630.db2.gz XOVIOYKMVHTLFG-WCBMZHEXSA-N 0 3 255.318 -1.449 20 0 CAADHN CN1CC[C@@H](C(=O)NCC2CN(CCCO)C2)C1=O ZINC001031908620 656405992 /nfs/dbraw/zinc/40/59/92/656405992.db2.gz YHVKYADQTDECLF-NSHDSACASA-N 0 3 269.345 -1.105 20 0 CAADHN CO[C@@H](C)CN1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031941478 656410047 /nfs/dbraw/zinc/41/00/47/656410047.db2.gz DWPRVEHWUFKTOB-WPRPVWTQSA-N 0 3 270.333 -1.249 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031941123 656410824 /nfs/dbraw/zinc/41/08/24/656410824.db2.gz ANNXNINTMUHXNZ-VXNVDRBHSA-N 0 3 256.306 -1.903 20 0 CAADHN Cn1nccc1CNS(=O)(=O)N1CCNCC1 ZINC000071335836 656443122 /nfs/dbraw/zinc/44/31/22/656443122.db2.gz XDDSDZBEVFNOBR-UHFFFAOYSA-N 0 3 259.335 -1.340 20 0 CAADHN O=C(CN1CCCC1)N1CCN(C2CN(CCO)C2)CC1 ZINC000941669373 656444389 /nfs/dbraw/zinc/44/43/89/656444389.db2.gz YRVWVFYXNSWLLL-UHFFFAOYSA-N 0 3 296.415 -1.097 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CCCN(C(=O)C(N)=O)CC2)C1 ZINC000942135838 656453248 /nfs/dbraw/zinc/45/32/48/656453248.db2.gz NJNCJFLFRBWQDO-NSHDSACASA-N 0 3 296.371 -1.126 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015866298 656453352 /nfs/dbraw/zinc/45/33/52/656453352.db2.gz NXGIZVPOAONFIN-RKDXNWHRSA-N 0 3 284.316 -1.891 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000942309081 656458325 /nfs/dbraw/zinc/45/83/25/656458325.db2.gz LHAPQHKOOLLCBO-SECBINFHSA-N 0 3 268.317 -1.715 20 0 CAADHN O=C(CN1CC[C@@H](NC(=O)c2nnc[nH]2)C1)N1CCC1 ZINC001015872076 656458348 /nfs/dbraw/zinc/45/83/48/656458348.db2.gz ZIEQMDJGUWHORW-SECBINFHSA-N 0 3 278.316 -1.159 20 0 CAADHN O=C(CN1CC[C@H](NC(=O)c2nnc[nH]2)C1)N1CCC1 ZINC001015872077 656458668 /nfs/dbraw/zinc/45/86/68/656458668.db2.gz ZIEQMDJGUWHORW-VIFPVBQESA-N 0 3 278.316 -1.159 20 0 CAADHN CO[C@H](C)CN1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032014211 656459248 /nfs/dbraw/zinc/45/92/48/656459248.db2.gz YKIGGLFYXDWOKZ-SCZZXKLOSA-N 0 3 298.343 -1.333 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@H]1CCCN(CCCO)C1 ZINC001007168420 656459357 /nfs/dbraw/zinc/45/93/57/656459357.db2.gz QHLCZCZCQHIEQA-JTQLQIEISA-N 0 3 283.332 -1.053 20 0 CAADHN CO[C@@H](C)CN1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032014212 656459406 /nfs/dbraw/zinc/45/94/06/656459406.db2.gz YKIGGLFYXDWOKZ-WPRPVWTQSA-N 0 3 298.343 -1.333 20 0 CAADHN O=C(NCC1CN(CCCF)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001032013963 656459472 /nfs/dbraw/zinc/45/94/72/656459472.db2.gz SCMJSJDAPWSOAQ-VIFPVBQESA-N 0 3 286.307 -1.008 20 0 CAADHN C[C@H]1CN(CCO)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942567037 656460273 /nfs/dbraw/zinc/46/02/73/656460273.db2.gz CZJRHLNCUIOWDQ-IUCAKERBSA-N 0 3 268.321 -1.357 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@@H]2CCN(C(=O)CC(N)=O)C2)C1 ZINC000942434751 656460492 /nfs/dbraw/zinc/46/04/92/656460492.db2.gz LAMKOLNQZLWUKJ-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CN(CCO)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942567036 656460550 /nfs/dbraw/zinc/46/05/50/656460550.db2.gz CZJRHLNCUIOWDQ-DTWKUNHWSA-N 0 3 268.321 -1.357 20 0 CAADHN C[C@H]1CN(CCN2CCNC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000942591225 656461018 /nfs/dbraw/zinc/46/10/18/656461018.db2.gz GOZJXGPZNWNSGM-UWVGGRQHSA-N 0 3 297.359 -1.677 20 0 CAADHN C[C@@H]1CN(CCN2CCNC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000942591228 656461034 /nfs/dbraw/zinc/46/10/34/656461034.db2.gz GOZJXGPZNWNSGM-ZJUUUORDSA-N 0 3 297.359 -1.677 20 0 CAADHN C[C@H]1CN(CCN2CCCC2=O)CC[C@@H]1NC(=O)C(N)=O ZINC000942594918 656461505 /nfs/dbraw/zinc/46/15/05/656461505.db2.gz QOKFZPNJZKKLPG-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CN(CCN2CCNC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000942591224 656461606 /nfs/dbraw/zinc/46/16/06/656461606.db2.gz GOZJXGPZNWNSGM-NXEZZACHSA-N 0 3 297.359 -1.677 20 0 CAADHN C[C@@H]1CN(CCN2CCCC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000942594916 656461806 /nfs/dbraw/zinc/46/18/06/656461806.db2.gz QOKFZPNJZKKLPG-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN O=C(NCC1CN([C@@H]2CCNC2=O)C1)c1ncn[nH]1 ZINC001032058325 656463130 /nfs/dbraw/zinc/46/31/30/656463130.db2.gz TUBKVQJFTLULLO-MRVPVSSYSA-N 0 3 264.289 -1.645 20 0 CAADHN CC1(C)CN(C(=O)Cn2cnnn2)C[C@H]1NCC(N)=O ZINC000995417057 656466064 /nfs/dbraw/zinc/46/60/64/656466064.db2.gz SRSFQACKMPIGFE-MRVPVSSYSA-N 0 3 281.320 -2.015 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)Cn2cnnn2)CC1(C)C)C(N)=O ZINC000995418166 656466335 /nfs/dbraw/zinc/46/63/35/656466335.db2.gz VWAUNBILWOWFLL-DTWKUNHWSA-N 0 3 295.347 -1.627 20 0 CAADHN C[C@H](CS(C)(=O)=O)NS(=O)(=O)N1CCNCC1 ZINC000081904716 656466399 /nfs/dbraw/zinc/46/63/99/656466399.db2.gz IWZIZHOBKOJOCT-MRVPVSSYSA-N 0 3 285.391 -1.841 20 0 CAADHN C[C@@H]1CN(CC(N)=O)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047141 656467211 /nfs/dbraw/zinc/46/72/11/656467211.db2.gz OIILDYOSAXEGKV-BDAKNGLRSA-N 0 3 280.332 -1.341 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)NCC2CN(CCCO)C2)C1 ZINC001032163918 656467509 /nfs/dbraw/zinc/46/75/09/656467509.db2.gz LYLDUSJTGFPMFQ-ZDUSSCGKSA-N 0 3 299.371 -1.336 20 0 CAADHN Cn1nc(C(=O)NCC2CN(CCCO)C2)ccc1=O ZINC001032173210 656467980 /nfs/dbraw/zinc/46/79/80/656467980.db2.gz SFZGIPQYUVBTPF-UHFFFAOYSA-N 0 3 280.328 -1.176 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032173162 656468440 /nfs/dbraw/zinc/46/84/40/656468440.db2.gz QKVGYJJXCZPNPZ-VIFPVBQESA-N 0 3 280.328 -1.177 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCC2CN(CCO)C2)C1 ZINC001032196732 656469895 /nfs/dbraw/zinc/46/98/95/656469895.db2.gz AWEXRLKVEQPNIM-GFCCVEGCSA-N 0 3 271.361 -1.253 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)NCC1CN(C[C@H](C)O)C1 ZINC001032195611 656470537 /nfs/dbraw/zinc/47/05/37/656470537.db2.gz CFYXVBPLHZYYMH-GWCFXTLKSA-N 0 3 299.371 -1.338 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NNC(=O)C2CC2)CC1=O ZINC000072795186 656470546 /nfs/dbraw/zinc/47/05/46/656470546.db2.gz PBOUDHCSSWVTLG-SNVBAGLBSA-N 0 3 282.344 -1.046 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2COCCO2)C[C@H]1NCC(N)=O ZINC000995507113 656471990 /nfs/dbraw/zinc/47/19/90/656471990.db2.gz UOTMYVPNPIKYLW-VHSXEESVSA-N 0 3 285.344 -1.286 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2COCCO2)C[C@H]1NCC(N)=O ZINC000995507109 656472065 /nfs/dbraw/zinc/47/20/65/656472065.db2.gz UOTMYVPNPIKYLW-NXEZZACHSA-N 0 3 285.344 -1.286 20 0 CAADHN CCN1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001032206530 656472332 /nfs/dbraw/zinc/47/23/32/656472332.db2.gz CRDHAILGJGLMON-UHFFFAOYSA-N 0 3 266.305 -1.555 20 0 CAADHN Cn1cc(C(=O)NCC2CN(CCCO)C2)n(C)c1=O ZINC001032211639 656472579 /nfs/dbraw/zinc/47/25/79/656472579.db2.gz UNCFNJSSIPCBSH-UHFFFAOYSA-N 0 3 282.344 -1.232 20 0 CAADHN CC[C@H](N[C@H]1CN(C(=O)CC(N)=O)CC1(C)C)C(N)=O ZINC000995574275 656473521 /nfs/dbraw/zinc/47/35/21/656473521.db2.gz MOLQZBIXCYRCTF-IUCAKERBSA-N 0 3 284.360 -1.048 20 0 CAADHN CN1CCO[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995604126 656473664 /nfs/dbraw/zinc/47/36/64/656473664.db2.gz LAYVHZXRVDPXGP-QWRGUYRKSA-N 0 3 298.387 -1.371 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032213032 656473737 /nfs/dbraw/zinc/47/37/37/656473737.db2.gz WJAJICOJSOAKJB-VIFPVBQESA-N 0 3 282.344 -1.234 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@H]1N[C@H]1CCCNC1=O ZINC000995558203 656473895 /nfs/dbraw/zinc/47/38/95/656473895.db2.gz FOGYGRLBBRTUGH-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN CN1CCO[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995604116 656473964 /nfs/dbraw/zinc/47/39/64/656473964.db2.gz LAYVHZXRVDPXGP-GHMZBOCLSA-N 0 3 298.387 -1.371 20 0 CAADHN CN1CC[C@@H](N[C@H]2CN(C(=O)CC(N)=O)CC2(C)C)C1=O ZINC000995574256 656474018 /nfs/dbraw/zinc/47/40/18/656474018.db2.gz MLJDDCLJZVDDHE-ZJUUUORDSA-N 0 3 296.371 -1.081 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1NCC(N)=O ZINC000995656538 656475854 /nfs/dbraw/zinc/47/58/54/656475854.db2.gz DJEQBEPSJIAVJN-VHSXEESVSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)CN2CN=NC2=O)C[C@H]1NCC(N)=O ZINC000995692425 656477832 /nfs/dbraw/zinc/47/78/32/656477832.db2.gz DGELPASPXOBNER-MRVPVSSYSA-N 0 3 296.331 -1.704 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995699063 656478655 /nfs/dbraw/zinc/47/86/55/656478655.db2.gz RKXIBFDXKPCINS-MNOVXSKESA-N 0 3 298.387 -1.371 20 0 CAADHN O=C(Cn1cnnn1)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCOC1 ZINC001032269746 656480529 /nfs/dbraw/zinc/48/05/29/656480529.db2.gz YZDNCNYALSLRPG-WOPDTQHZSA-N 0 3 292.343 -1.005 20 0 CAADHN Cn1oc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)cc1=O ZINC000995717526 656483840 /nfs/dbraw/zinc/48/38/40/656483840.db2.gz ANPFZZAYGCFQKZ-SECBINFHSA-N 0 3 296.327 -1.096 20 0 CAADHN Cn1nncc1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995749480 656483974 /nfs/dbraw/zinc/48/39/74/656483974.db2.gz YGKJTUACXRYSHA-VIFPVBQESA-N 0 3 280.332 -1.259 20 0 CAADHN Cn1cnc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)n1 ZINC000995764316 656484271 /nfs/dbraw/zinc/48/42/71/656484271.db2.gz CAGDPESVDGDCIF-MRVPVSSYSA-N 0 3 280.332 -1.259 20 0 CAADHN Cn1cc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)nn1 ZINC000995763841 656484582 /nfs/dbraw/zinc/48/45/82/656484582.db2.gz SDLIEULXUJBXFP-SECBINFHSA-N 0 3 280.332 -1.259 20 0 CAADHN C[C@H](N[C@H]1CN(C(=O)Cn2ncnn2)CC1(C)C)C(N)=O ZINC000995799487 656484752 /nfs/dbraw/zinc/48/47/52/656484752.db2.gz WWTOFCNIPVHZGI-IUCAKERBSA-N 0 3 295.347 -1.627 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1NCC(N)=O ZINC000995764383 656484919 /nfs/dbraw/zinc/48/49/19/656484919.db2.gz LOGNYWNYLFJHFR-HTQZYQBOSA-N 0 3 284.316 -1.593 20 0 CAADHN CC1(C)CN(C(=O)[C@]2(C)CNC(=O)C2)C[C@H]1NCC(N)=O ZINC000996070524 656485401 /nfs/dbraw/zinc/48/54/01/656485401.db2.gz ABGJJTPKWOIVNY-OTYXRUKQSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)Cn2nccn2)C[C@@H]1NCC(N)=O ZINC000995863618 656485450 /nfs/dbraw/zinc/48/54/50/656485450.db2.gz VQFDJOBNJOQSER-VIFPVBQESA-N 0 3 280.332 -1.410 20 0 CAADHN CN1C[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)NC1=O ZINC000996136844 656485520 /nfs/dbraw/zinc/48/55/20/656485520.db2.gz KKTIJBBVZLVYJL-BDAKNGLRSA-N 0 3 297.359 -1.678 20 0 CAADHN CC1(C)CN(C(=O)C[C@H]2CCNC2=O)C[C@@H]1NCC(N)=O ZINC000995890048 656485668 /nfs/dbraw/zinc/48/56/68/656485668.db2.gz YJLBXHPNUDRPLO-ZJUUUORDSA-N 0 3 296.371 -1.176 20 0 CAADHN CN1C[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)CC1=O ZINC000995875377 656485744 /nfs/dbraw/zinc/48/57/44/656485744.db2.gz VWMNNOUZOKZAJJ-VHSXEESVSA-N 0 3 296.371 -1.223 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995933497 656485777 /nfs/dbraw/zinc/48/57/77/656485777.db2.gz LOYMOLVXLLSLOZ-MRVPVSSYSA-N 0 3 284.360 -1.190 20 0 CAADHN C[C@H](N[C@H]1CN(C(=O)Cn2nccn2)CC1(C)C)C(N)=O ZINC000995850282 656485786 /nfs/dbraw/zinc/48/57/86/656485786.db2.gz AQYKPAKXILPGAG-UWVGGRQHSA-N 0 3 294.359 -1.022 20 0 CAADHN CN1C[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)NC1=O ZINC000996136847 656485814 /nfs/dbraw/zinc/48/58/14/656485814.db2.gz KKTIJBBVZLVYJL-DTWKUNHWSA-N 0 3 297.359 -1.678 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCC(=O)NC2)C[C@@H]1NCC(N)=O ZINC000995994064 656485838 /nfs/dbraw/zinc/48/58/38/656485838.db2.gz ORPGXODIJDWHQJ-UWVGGRQHSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1NCC(N)=O ZINC000995994056 656485892 /nfs/dbraw/zinc/48/58/92/656485892.db2.gz ORPGXODIJDWHQJ-NXEZZACHSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)Cn2nccn2)CC1(C)C)C(N)=O ZINC000995850280 656486108 /nfs/dbraw/zinc/48/61/08/656486108.db2.gz AQYKPAKXILPGAG-NXEZZACHSA-N 0 3 294.359 -1.022 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1NCC(N)=O ZINC000995994072 656486170 /nfs/dbraw/zinc/48/61/70/656486170.db2.gz ORPGXODIJDWHQJ-VHSXEESVSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](N[C@H]1CN(C(=O)c2nnn(C)n2)CC1(C)C)C(N)=O ZINC000996155568 656486490 /nfs/dbraw/zinc/48/64/90/656486490.db2.gz VNEYYIBIBWVTBE-SFYZADRCSA-N 0 3 295.347 -1.476 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)c2nnn(C)n2)CC1(C)C)C(N)=O ZINC000996155562 656486502 /nfs/dbraw/zinc/48/65/02/656486502.db2.gz VNEYYIBIBWVTBE-JGVFFNPUSA-N 0 3 295.347 -1.476 20 0 CAADHN CC1(C)CN(C(=O)Cn2nccn2)C[C@H]1NCC(N)=O ZINC000995863617 656486588 /nfs/dbraw/zinc/48/65/88/656486588.db2.gz VQFDJOBNJOQSER-SECBINFHSA-N 0 3 280.332 -1.410 20 0 CAADHN CC1(C)CN(C(=O)C(N)=O)C[C@@H]1N[C@@H]1CCCNC1=O ZINC000996229527 656487155 /nfs/dbraw/zinc/48/71/55/656487155.db2.gz NZJALYGQBCAKBL-BDAKNGLRSA-N 0 3 282.344 -1.423 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CNC(=O)N2)C[C@@H]1NCC(N)=O ZINC000996216999 656487413 /nfs/dbraw/zinc/48/74/13/656487413.db2.gz YNRSMESNVOBBDO-SFYZADRCSA-N 0 3 283.332 -2.020 20 0 CAADHN CN1CCC[C@H](N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O ZINC000996232385 656487426 /nfs/dbraw/zinc/48/74/26/656487426.db2.gz WXDDCBVIXCIHFL-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN CN1CCC[C@H](N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O ZINC000996232382 656487710 /nfs/dbraw/zinc/48/77/10/656487710.db2.gz WXDDCBVIXCIHFL-UWVGGRQHSA-N 0 3 296.371 -1.081 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CNC(=O)N2)C[C@@H]1NCC(N)=O ZINC000996217001 656488012 /nfs/dbraw/zinc/48/80/12/656488012.db2.gz YNRSMESNVOBBDO-YUMQZZPRSA-N 0 3 283.332 -2.020 20 0 CAADHN C[C@H](N[C@H]1CN(C(=O)C(N)=O)CC1(C)C)C(N)=O ZINC000996230788 656488026 /nfs/dbraw/zinc/48/80/26/656488026.db2.gz QPAUGXPKFBZGSW-BQBZGAKWSA-N 0 3 256.306 -1.828 20 0 CAADHN Cn1nnc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)n1 ZINC000996173565 656488146 /nfs/dbraw/zinc/48/81/46/656488146.db2.gz YIEFCFQPGKXFQU-SSDOTTSWSA-N 0 3 281.320 -1.864 20 0 CAADHN CN1CC[C@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1=O ZINC000996175069 656488155 /nfs/dbraw/zinc/48/81/55/656488155.db2.gz CVMHZCDOUGQMHI-VHSXEESVSA-N 0 3 296.371 -1.223 20 0 CAADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O ZINC000996224199 656488219 /nfs/dbraw/zinc/48/82/19/656488219.db2.gz AJBBRJYOSBRDIA-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)CC1(C)C)C(N)=O ZINC000996243272 656488635 /nfs/dbraw/zinc/48/86/35/656488635.db2.gz WDWZCGGOOLAHOT-DTWKUNHWSA-N 0 3 296.371 -1.048 20 0 CAADHN CC1(C)CN(C(=O)[C@]2(C)CCNC2=O)C[C@@H]1NCC(N)=O ZINC000996291926 656488705 /nfs/dbraw/zinc/48/87/05/656488705.db2.gz OEOGRBBGBUGWQG-LKFCYVNXSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1NCC(N)=O ZINC000996235327 656488737 /nfs/dbraw/zinc/48/87/37/656488737.db2.gz FKDGFENUJIOHAJ-QMMMGPOBSA-N 0 3 282.344 -1.436 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@@H]1NCC(N)=O ZINC000996311984 656489077 /nfs/dbraw/zinc/48/90/77/656489077.db2.gz UJGYOYDGEGINEF-VGMNWLOBSA-N 0 3 282.344 -1.580 20 0 CAADHN CC[C@H](N[C@H]1CN(C(=O)C(N)=O)CC1(C)C)C(N)=O ZINC000996241309 656489262 /nfs/dbraw/zinc/48/92/62/656489262.db2.gz SWMHKGIECALJQL-YUMQZZPRSA-N 0 3 270.333 -1.438 20 0 CAADHN CC1(C)CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@@H]1NCC(N)=O ZINC000996259426 656489627 /nfs/dbraw/zinc/48/96/27/656489627.db2.gz FSIVAIYRFOSEGV-XPTSAGLGSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@@H](N[C@H]1CN(C(=O)C(N)=O)CC1(C)C)C(N)=O ZINC000996241307 656489671 /nfs/dbraw/zinc/48/96/71/656489671.db2.gz SWMHKGIECALJQL-SFYZADRCSA-N 0 3 270.333 -1.438 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015950963 656489692 /nfs/dbraw/zinc/48/96/92/656489692.db2.gz IJEWUWPQTBIDPP-SNVBAGLBSA-N 0 3 298.343 -1.235 20 0 CAADHN CC1(C)CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1NCC(N)=O ZINC000996411729 656490533 /nfs/dbraw/zinc/49/05/33/656490533.db2.gz OJXUUEBMQRTALD-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN CC1(C)CN(C(=O)CCn2cnnn2)C[C@H]1NCC(N)=O ZINC000996450293 656490733 /nfs/dbraw/zinc/49/07/33/656490733.db2.gz VFEUEBWVXQHQKZ-SECBINFHSA-N 0 3 295.347 -1.625 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CCC(=O)N2)C[C@@H]1NCC(N)=O ZINC000996536754 656491040 /nfs/dbraw/zinc/49/10/40/656491040.db2.gz RUQKVBBUMXFYTQ-IUCAKERBSA-N 0 3 282.344 -1.423 20 0 CAADHN CC1(C)CN(C(=O)Cn2cncn2)C[C@H]1NCC(N)=O ZINC000996583485 656492568 /nfs/dbraw/zinc/49/25/68/656492568.db2.gz BAKJKKYPTAAITK-SECBINFHSA-N 0 3 280.332 -1.410 20 0 CAADHN O=C(c1cn[n-]n1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000996757046 656494588 /nfs/dbraw/zinc/49/45/88/656494588.db2.gz RBRKPNUYNSKXPW-VIFPVBQESA-N 0 3 278.316 -1.113 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000997104878 656498575 /nfs/dbraw/zinc/49/85/75/656498575.db2.gz WHVNLOSTXFYMDG-VIFPVBQESA-N 0 3 278.316 -1.113 20 0 CAADHN NC(=O)C[NH2+]C1CCN(C(=O)c2nc[n-]n2)CC1 ZINC000997102391 656498780 /nfs/dbraw/zinc/49/87/80/656498780.db2.gz GVQCCXHWRRJHIB-UHFFFAOYSA-N 0 3 252.278 -1.516 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000997104870 656499128 /nfs/dbraw/zinc/49/91/28/656499128.db2.gz WHVNLOSTXFYMDG-SECBINFHSA-N 0 3 278.316 -1.113 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000997105366 656499685 /nfs/dbraw/zinc/49/96/85/656499685.db2.gz HEENRMFOONTWEA-QWRGUYRKSA-N 0 3 294.355 -1.314 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000997105369 656500248 /nfs/dbraw/zinc/50/02/48/656500248.db2.gz HEENRMFOONTWEA-WDEREUQCSA-N 0 3 294.355 -1.314 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000997236765 656502738 /nfs/dbraw/zinc/50/27/38/656502738.db2.gz DXYYZXNWRLRLRM-UHFFFAOYSA-N 0 3 265.273 -1.927 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997408097 656508750 /nfs/dbraw/zinc/50/87/50/656508750.db2.gz FUDJRGCTHZYFFH-WDEREUQCSA-N 0 3 294.355 -1.456 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997408091 656509354 /nfs/dbraw/zinc/50/93/54/656509354.db2.gz FUDJRGCTHZYFFH-GHMZBOCLSA-N 0 3 294.355 -1.456 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC000997408096 656509395 /nfs/dbraw/zinc/50/93/95/656509395.db2.gz FUDJRGCTHZYFFH-QWRGUYRKSA-N 0 3 294.355 -1.456 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1)N(C)C ZINC000997420801 656510443 /nfs/dbraw/zinc/51/04/43/656510443.db2.gz MYWOZBIVPZGNCO-MNOVXSKESA-N 0 3 296.371 -1.210 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCN(C2CC2)C1 ZINC000067865168 656517054 /nfs/dbraw/zinc/51/70/54/656517054.db2.gz MAKQPLHETRELIE-SECBINFHSA-N 0 3 278.312 -1.111 20 0 CAADHN Cn1nnc(C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC000997866099 656521275 /nfs/dbraw/zinc/52/12/75/656521275.db2.gz ZFCUHBJKBVCQLM-SECBINFHSA-N 0 3 293.331 -1.755 20 0 CAADHN CN(C)C(=O)[C@@H]1CCCN1c1nc(N)nc(N)n1 ZINC000624558853 656526587 /nfs/dbraw/zinc/52/65/87/656526587.db2.gz YHTMCLDYAYEBLZ-LURJTMIESA-N 0 3 251.294 -1.246 20 0 CAADHN O=C(Cn1cnnn1)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC000998489901 656534490 /nfs/dbraw/zinc/53/44/90/656534490.db2.gz OFQPZWVDQWYDQN-UWVGGRQHSA-N 0 3 293.331 -1.858 20 0 CAADHN O=C(Cn1cnnn1)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC000998489903 656535186 /nfs/dbraw/zinc/53/51/86/656535186.db2.gz OFQPZWVDQWYDQN-VHSXEESVSA-N 0 3 293.331 -1.858 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC000998465112 656535205 /nfs/dbraw/zinc/53/52/05/656535205.db2.gz ROFREBGPMHALHC-VIFPVBQESA-N 0 3 269.301 -1.060 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC000998610385 656536170 /nfs/dbraw/zinc/53/61/70/656536170.db2.gz MYUPFWPPHPDKKA-NXEZZACHSA-N 0 3 271.317 -1.532 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000998565911 656537030 /nfs/dbraw/zinc/53/70/30/656537030.db2.gz GLFSASDMPNFBNO-JTQLQIEISA-N 0 3 280.332 -1.266 20 0 CAADHN CS(=O)(=O)CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000998673471 656537647 /nfs/dbraw/zinc/53/76/47/656537647.db2.gz UMORAOMFZOBKMV-MRVPVSSYSA-N 0 3 277.346 -1.903 20 0 CAADHN CS(=O)(=O)CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000998673472 656537872 /nfs/dbraw/zinc/53/78/72/656537872.db2.gz UMORAOMFZOBKMV-QMMMGPOBSA-N 0 3 277.346 -1.903 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998675392 656540011 /nfs/dbraw/zinc/54/00/11/656540011.db2.gz VGMQIOICPHZIIV-VHSXEESVSA-N 0 3 295.343 -1.911 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1)N(C)C ZINC000998674008 656540108 /nfs/dbraw/zinc/54/01/08/656540108.db2.gz LPHAJFVPIMYGNH-NXEZZACHSA-N 0 3 297.359 -1.665 20 0 CAADHN O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998676833 656541593 /nfs/dbraw/zinc/54/15/93/656541593.db2.gz HWFSKHFIJNNEHE-SNVBAGLBSA-N 0 3 295.343 -1.909 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1)C(N)=O ZINC000998685616 656543148 /nfs/dbraw/zinc/54/31/48/656543148.db2.gz OBGKBRGZHWEZFE-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998707867 656543685 /nfs/dbraw/zinc/54/36/85/656543685.db2.gz NHVOJIZKBCGRFL-MRVPVSSYSA-N 0 3 254.290 -2.107 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998707868 656544493 /nfs/dbraw/zinc/54/44/93/656544493.db2.gz NHVOJIZKBCGRFL-QMMMGPOBSA-N 0 3 254.290 -2.107 20 0 CAADHN CC(C)[C@H](C(=O)N1CC(NC(=O)C(N)=O)C1)N(C)C ZINC000998704848 656545269 /nfs/dbraw/zinc/54/52/69/656545269.db2.gz PACQYOKTYJRWQY-SECBINFHSA-N 0 3 270.333 -1.615 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)C(N)=O)C1)N(C)C ZINC000998705443 656547274 /nfs/dbraw/zinc/54/72/74/656547274.db2.gz VPGPEFKDYCRXCW-QMMMGPOBSA-N 0 3 256.306 -1.861 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC(NC(=O)C(N)=O)C2)C1 ZINC000998713878 656548130 /nfs/dbraw/zinc/54/81/30/656548130.db2.gz DPXYNOAWEKRCKD-MRVPVSSYSA-N 0 3 268.317 -1.860 20 0 CAADHN CC1CCN(CC(=O)N2CC(NC(=O)C(N)=O)C2)CC1 ZINC000998713568 656548717 /nfs/dbraw/zinc/54/87/17/656548717.db2.gz UVFMYUWATXMVSK-UHFFFAOYSA-N 0 3 282.344 -1.469 20 0 CAADHN CC1(C)CCN(CC(=O)N2CC(NC(=O)C(N)=O)C2)C1 ZINC000998713836 656549033 /nfs/dbraw/zinc/54/90/33/656549033.db2.gz CGCHXGAWTNSLHJ-UHFFFAOYSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC(NC(=O)C(N)=O)C2)C1 ZINC000998713879 656549147 /nfs/dbraw/zinc/54/91/47/656549147.db2.gz DPXYNOAWEKRCKD-QMMMGPOBSA-N 0 3 268.317 -1.860 20 0 CAADHN NC(=O)C(=O)NC1CN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000998723734 656555001 /nfs/dbraw/zinc/55/50/01/656555001.db2.gz VIAIZXPEQXACTR-UWVGGRQHSA-N 0 3 296.327 -2.338 20 0 CAADHN NC(=O)C(=O)NC1CN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000998723739 656556826 /nfs/dbraw/zinc/55/68/26/656556826.db2.gz VIAIZXPEQXACTR-ZJUUUORDSA-N 0 3 296.327 -2.338 20 0 CAADHN NC(=O)C(=O)NC1CN(C(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000998723737 656556967 /nfs/dbraw/zinc/55/69/67/656556967.db2.gz VIAIZXPEQXACTR-VHSXEESVSA-N 0 3 296.327 -2.338 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998721576 656558455 /nfs/dbraw/zinc/55/84/55/656558455.db2.gz CRCYIZRDCSEWLJ-SNVBAGLBSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CC(=O)N1CC(NC(=O)C(N)=O)C1)C1CCC1 ZINC000998725611 656558927 /nfs/dbraw/zinc/55/89/27/656558927.db2.gz PRTHKXRKGBARLQ-UHFFFAOYSA-N 0 3 268.317 -1.717 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC000998767091 656560010 /nfs/dbraw/zinc/56/00/10/656560010.db2.gz XTEYGUPUUODZNJ-QMMMGPOBSA-N 0 3 278.316 -1.262 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCCN(C(=O)CC(N)=O)C2)C1=O ZINC000998781216 656562085 /nfs/dbraw/zinc/56/20/85/656562085.db2.gz PUJCZHDATTYTHG-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)CC(N)=O)C1)C(N)=O ZINC000998781075 656562532 /nfs/dbraw/zinc/56/25/32/656562532.db2.gz OSFBBMUJFGAIFV-YUMQZZPRSA-N 0 3 256.306 -1.684 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000998916238 656562723 /nfs/dbraw/zinc/56/27/23/656562723.db2.gz OFQWDBLOHZTLNU-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN CN1CCO[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC000998821929 656562755 /nfs/dbraw/zinc/56/27/55/656562755.db2.gz FGMJXTBOCILVDF-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCCN(C(=O)CC(N)=O)C2)C1=O ZINC000998781210 656563047 /nfs/dbraw/zinc/56/30/47/656563047.db2.gz PUJCZHDATTYTHG-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCC[C@@H](N[C@@H](C)C(N)=O)C2)C1 ZINC000999019887 656564349 /nfs/dbraw/zinc/56/43/49/656564349.db2.gz GPNZXIMVYAVCOO-JOYOIKCWSA-N 0 3 296.371 -1.081 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000998967271 656564634 /nfs/dbraw/zinc/56/46/34/656564634.db2.gz ZISZCHWPLWKDTF-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)CN2CN=NC2=O)C1)C(N)=O ZINC000998976847 656564912 /nfs/dbraw/zinc/56/49/12/656564912.db2.gz SGVDOSDNLQHUJX-BDAKNGLRSA-N 0 3 296.331 -1.562 20 0 CAADHN C[C@@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)n1cncn1 ZINC000998966274 656564961 /nfs/dbraw/zinc/56/49/61/656564961.db2.gz VIRRQOUFZJQRLL-UWVGGRQHSA-N 0 3 280.332 -1.095 20 0 CAADHN CN(C(=O)c1cnc[n-]c1=O)C1CC([NH2+]CC(N)=O)C1 ZINC000998962666 656565045 /nfs/dbraw/zinc/56/50/45/656565045.db2.gz BELCQQPDBHTCNV-UHFFFAOYSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)n1cncn1 ZINC000998966273 656565155 /nfs/dbraw/zinc/56/51/55/656565155.db2.gz VIRRQOUFZJQRLL-NXEZZACHSA-N 0 3 280.332 -1.095 20 0 CAADHN C[C@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)n1cncn1 ZINC000998966277 656565358 /nfs/dbraw/zinc/56/53/58/656565358.db2.gz VIRRQOUFZJQRLL-ZJUUUORDSA-N 0 3 280.332 -1.095 20 0 CAADHN CN1CCOC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000998967270 656565481 /nfs/dbraw/zinc/56/54/81/656565481.db2.gz ZISZCHWPLWKDTF-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC000999147163 656566258 /nfs/dbraw/zinc/56/62/58/656566258.db2.gz BOIVOHZQZMIXTB-WDEREUQCSA-N 0 3 285.344 -1.142 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)c2cn(C)nn2)C1)C(N)=O ZINC000999091250 656566346 /nfs/dbraw/zinc/56/63/46/656566346.db2.gz YZIPRXXJGCVELV-BDAKNGLRSA-N 0 3 280.332 -1.117 20 0 CAADHN O=C(Cn1ncnn1)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000999160448 656566357 /nfs/dbraw/zinc/56/63/57/656566357.db2.gz GGAONAYPVVSXOF-ZJUUUORDSA-N 0 3 293.331 -1.858 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000999058642 656566552 /nfs/dbraw/zinc/56/65/52/656566552.db2.gz OBGBTCKHQMKMFS-SFYZADRCSA-N 0 3 270.289 -1.839 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1)C(N)=O ZINC000999159560 656566869 /nfs/dbraw/zinc/56/68/69/656566869.db2.gz BBMLMXSEYLLTDJ-DTWKUNHWSA-N 0 3 281.320 -1.873 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000999058643 656567047 /nfs/dbraw/zinc/56/70/47/656567047.db2.gz OBGBTCKHQMKMFS-YUMQZZPRSA-N 0 3 270.289 -1.839 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000999058637 656567314 /nfs/dbraw/zinc/56/73/14/656567314.db2.gz OBGBTCKHQMKMFS-HTQZYQBOSA-N 0 3 270.289 -1.839 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)c2cn(C)nn2)C1)C(N)=O ZINC000999091252 656567337 /nfs/dbraw/zinc/56/73/37/656567337.db2.gz YZIPRXXJGCVELV-IUCAKERBSA-N 0 3 280.332 -1.117 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)c2cnnn2C)C1)C(N)=O ZINC000999057124 656567370 /nfs/dbraw/zinc/56/73/70/656567370.db2.gz JIJJAFOSWWUDBK-DTWKUNHWSA-N 0 3 280.332 -1.117 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CO[C@H]2CCOC2)C1 ZINC000999147161 656567526 /nfs/dbraw/zinc/56/75/26/656567526.db2.gz BOIVOHZQZMIXTB-MNOVXSKESA-N 0 3 285.344 -1.142 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1)C(N)=O ZINC000999076155 656567615 /nfs/dbraw/zinc/56/76/15/656567615.db2.gz WPTPQDNTVNOHPS-DTWKUNHWSA-N 0 3 280.332 -1.117 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC000999163922 656568627 /nfs/dbraw/zinc/56/86/27/656568627.db2.gz PEBFVEGZUAREOK-QMMMGPOBSA-N 0 3 267.293 -2.261 20 0 CAADHN NC(=O)c1ncn(CC(=O)N2CCC[C@@H](NCCF)C2)n1 ZINC000999199436 656568700 /nfs/dbraw/zinc/56/87/00/656568700.db2.gz HCJUHAOPSQERFN-SECBINFHSA-N 0 3 298.322 -1.073 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC000999186929 656569051 /nfs/dbraw/zinc/56/90/51/656569051.db2.gz QLASHBVQVFHBIB-GMTAPVOTSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH]cn1 ZINC001032652660 656569179 /nfs/dbraw/zinc/56/91/79/656569179.db2.gz VVCWHAZEAVSTTD-UWVGGRQHSA-N 0 3 263.301 -1.277 20 0 CAADHN CNC(=O)CN1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH]cn1 ZINC001032650763 656569548 /nfs/dbraw/zinc/56/95/48/656569548.db2.gz RPECWGSEIKEFDE-QWRGUYRKSA-N 0 3 277.328 -1.017 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N[C@H]2CCN(CCCO)C2)C1 ZINC001016143734 656572200 /nfs/dbraw/zinc/57/22/00/656572200.db2.gz BXHOFOUAAPKQDG-QWHCGFSZSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(Cn1nccn1)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC000999259320 656572234 /nfs/dbraw/zinc/57/22/34/656572234.db2.gz XDGFRUBFUASEKS-QWRGUYRKSA-N 0 3 292.343 -1.253 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC000999339040 656572453 /nfs/dbraw/zinc/57/24/53/656572453.db2.gz KDKFACOWOZKARY-MNOVXSKESA-N 0 3 296.371 -1.031 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1=O ZINC000999299910 656572724 /nfs/dbraw/zinc/57/27/24/656572724.db2.gz WAAKRNTXBFSYEB-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN CCN1C[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1=O ZINC000999300821 656572809 /nfs/dbraw/zinc/57/28/09/656572809.db2.gz ANQAOFSGPIYZKY-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CN1C[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1=O ZINC000999299915 656573177 /nfs/dbraw/zinc/57/31/77/656573177.db2.gz WAAKRNTXBFSYEB-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999414118 656576395 /nfs/dbraw/zinc/57/63/95/656576395.db2.gz LMJJFDULWZWCAR-QMMMGPOBSA-N 0 3 270.333 -1.436 20 0 CAADHN C[C@H](C(=O)N1CCC[C@H](NCC(N)=O)C1)S(C)(=O)=O ZINC000999512982 656576446 /nfs/dbraw/zinc/57/64/46/656576446.db2.gz AUFNWVFKYIMJQI-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN CC[C@@]1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCNC1=O ZINC000999400139 656576844 /nfs/dbraw/zinc/57/68/44/656576844.db2.gz JHWICGZQSOXINP-QMTHXVAHSA-N 0 3 296.371 -1.031 20 0 CAADHN CN1CC[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1=O ZINC000999532803 656576917 /nfs/dbraw/zinc/57/69/17/656576917.db2.gz SYDBNJYERKQTFL-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1)C(N)=O ZINC000999424566 656577015 /nfs/dbraw/zinc/57/70/15/656577015.db2.gz RHHQFMWSRPNCGZ-DTWKUNHWSA-N 0 3 284.360 -1.048 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000999395383 656577165 /nfs/dbraw/zinc/57/71/65/656577165.db2.gz FNKCVMWNNCZQKS-SFYZADRCSA-N 0 3 297.315 -2.350 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCNC(=O)C1 ZINC000999509143 656577547 /nfs/dbraw/zinc/57/75/47/656577547.db2.gz XMKKREYFAHNFDY-QMTHXVAHSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)O1 ZINC000999492328 656577639 /nfs/dbraw/zinc/57/76/39/656577639.db2.gz AEHLSNWLTOEVSR-IJLUTSLNSA-N 0 3 298.387 -1.229 20 0 CAADHN CC[C@]1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CCNC1=O ZINC000999400132 656577706 /nfs/dbraw/zinc/57/77/06/656577706.db2.gz JHWICGZQSOXINP-HZMBPMFUSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)S(C)(=O)=O ZINC000999512983 656577983 /nfs/dbraw/zinc/57/79/83/656577983.db2.gz AUFNWVFKYIMJQI-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@]1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CCNC(=O)C1 ZINC000999509133 656578225 /nfs/dbraw/zinc/57/82/25/656578225.db2.gz XMKKREYFAHNFDY-HZMBPMFUSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CCNC(=O)C1 ZINC000999509139 656578258 /nfs/dbraw/zinc/57/82/58/656578258.db2.gz XMKKREYFAHNFDY-IINYFYTJSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000999449125 656578569 /nfs/dbraw/zinc/57/85/69/656578569.db2.gz MTOKWRMDDOTXQI-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999399537 656578648 /nfs/dbraw/zinc/57/86/48/656578648.db2.gz VWKFEKJVHHBEGX-UMNHJUIQSA-N 0 3 285.344 -1.144 20 0 CAADHN CN(C(=O)c1nc[n-]n1)C1CC([NH2+][C@H]2CCNC2=O)C1 ZINC000999573771 656580327 /nfs/dbraw/zinc/58/03/27/656580327.db2.gz QRZGRVUJRKDWPG-HACHORDNSA-N 0 3 278.316 -1.114 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999556061 656580561 /nfs/dbraw/zinc/58/05/61/656580561.db2.gz JTDPLYRNNMEIPL-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000999574389 656581139 /nfs/dbraw/zinc/58/11/39/656581139.db2.gz UYGGTRRMJMOMAT-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@H](NCC(N)=O)C2)ncc1=O ZINC000999749754 656582631 /nfs/dbraw/zinc/58/26/31/656582631.db2.gz DCJJXDPAGJROHD-VIFPVBQESA-N 0 3 293.327 -1.540 20 0 CAADHN C[C@]1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CNC(=O)C1 ZINC000999783413 656583944 /nfs/dbraw/zinc/58/39/44/656583944.db2.gz JGLJLZJDVFLBGD-TVQRCGJNSA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@H]1CCCN1CC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000999850913 656584106 /nfs/dbraw/zinc/58/41/06/656584106.db2.gz BUSBSUMURTYXMV-QMMMGPOBSA-N 0 3 268.317 -1.717 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)CC(N)=O)C1 ZINC000999840394 656584618 /nfs/dbraw/zinc/58/46/18/656584618.db2.gz RPKSCNNVZDUJSY-SECBINFHSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000999892682 656585577 /nfs/dbraw/zinc/58/55/77/656585577.db2.gz FHHVDDKXCJWISV-DTWKUNHWSA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2CN(C(=O)CC(N)=O)C2)C1 ZINC000999865090 656585781 /nfs/dbraw/zinc/58/57/81/656585781.db2.gz SRXLONUTWNKFNY-VIFPVBQESA-N 0 3 282.344 -1.469 20 0 CAADHN O=C(CN1CCNC(=O)C1)N1CCC[C@H](NCCF)C1 ZINC000999881875 656586520 /nfs/dbraw/zinc/58/65/20/656586520.db2.gz MAEOOMUKSJMISA-NSHDSACASA-N 0 3 286.351 -1.032 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999867123 656586651 /nfs/dbraw/zinc/58/66/51/656586651.db2.gz VAJWQWUUHOWKSZ-MRVPVSSYSA-N 0 3 266.305 -1.207 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000999892683 656586679 /nfs/dbraw/zinc/58/66/79/656586679.db2.gz FHHVDDKXCJWISV-IUCAKERBSA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1)C(N)=O ZINC000999918620 656587868 /nfs/dbraw/zinc/58/78/68/656587868.db2.gz CXUIJXMULCMZEN-HTQZYQBOSA-N 0 3 281.320 -1.722 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1)N(C)C ZINC000999916669 656588055 /nfs/dbraw/zinc/58/80/55/656588055.db2.gz ISPBQDFANYJCLW-VWYCJHECSA-N 0 3 296.371 -1.225 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000999884155 656588887 /nfs/dbraw/zinc/58/88/87/656588887.db2.gz SHCWBTYUEGEHDZ-SNVBAGLBSA-N 0 3 297.359 -2.516 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1)C(N)=O ZINC000999918632 656589039 /nfs/dbraw/zinc/58/90/39/656589039.db2.gz CXUIJXMULCMZEN-JGVFFNPUSA-N 0 3 281.320 -1.722 20 0 CAADHN C[C@]1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCC(=O)NC1 ZINC000999970634 656589355 /nfs/dbraw/zinc/58/93/55/656589355.db2.gz RUHTWZGPIXYJNO-YGRLFVJLSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CCC(=O)NC1 ZINC000999970630 656589951 /nfs/dbraw/zinc/58/99/51/656589951.db2.gz RUHTWZGPIXYJNO-IINYFYTJSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000999931313 656590337 /nfs/dbraw/zinc/59/03/37/656590337.db2.gz PAWPKHZAWLRDOD-MNOVXSKESA-N 0 3 294.355 -1.469 20 0 CAADHN CN1CC[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1=O ZINC000999945351 656590672 /nfs/dbraw/zinc/59/06/72/656590672.db2.gz CJLSFACEEGEJGP-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1CC[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1=O ZINC000999945342 656590860 /nfs/dbraw/zinc/59/08/60/656590860.db2.gz CJLSFACEEGEJGP-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1CCC[C@@H](N[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000053748 656591281 /nfs/dbraw/zinc/59/12/81/656591281.db2.gz WTIBUPVUYJFLNP-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999984840 656591309 /nfs/dbraw/zinc/59/13/09/656591309.db2.gz PTQPUGSVWYECQC-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001000053062 656591534 /nfs/dbraw/zinc/59/15/34/656591534.db2.gz OVKOQJHKWNYXQP-RKDXNWHRSA-N 0 3 268.317 -1.669 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001000047891 656591620 /nfs/dbraw/zinc/59/16/20/656591620.db2.gz ISVRCEPTTATWCA-YUMQZZPRSA-N 0 3 269.305 -2.266 20 0 CAADHN Cn1cc(OCC(=O)N2CCC[C@H](NCC(N)=O)C2)cn1 ZINC001000014501 656591852 /nfs/dbraw/zinc/59/18/52/656591852.db2.gz KTDJWHLHRYYXBY-JTQLQIEISA-N 0 3 295.343 -1.135 20 0 CAADHN CN1CCC[C@H](N[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000053752 656592078 /nfs/dbraw/zinc/59/20/78/656592078.db2.gz WTIBUPVUYJFLNP-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001000054186 656592262 /nfs/dbraw/zinc/59/22/62/656592262.db2.gz CCWLFWFCUGCXNN-SNVBAGLBSA-N 0 3 298.343 -2.089 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1)C(N)=O ZINC001000052712 656592341 /nfs/dbraw/zinc/59/23/41/656592341.db2.gz MPBWCFDTIKBDKL-BDAKNGLRSA-N 0 3 282.344 -1.294 20 0 CAADHN CN1CCC[C@H](N[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000053749 656592643 /nfs/dbraw/zinc/59/26/43/656592643.db2.gz WTIBUPVUYJFLNP-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN CCN1CC[C@@H](N[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000053155 656592972 /nfs/dbraw/zinc/59/29/72/656592972.db2.gz PPUSJRDQJQHMAU-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001000058177 656593565 /nfs/dbraw/zinc/59/35/65/656593565.db2.gz QFEXLNVMVDSYAW-SNVBAGLBSA-N 0 3 282.344 -1.325 20 0 CAADHN Cn1cncc1CN[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001000056651 656594171 /nfs/dbraw/zinc/59/41/71/656594171.db2.gz KKWSOPFYBYQLPJ-VIFPVBQESA-N 0 3 265.317 -1.014 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001000059348 656594700 /nfs/dbraw/zinc/59/47/00/656594700.db2.gz VRYTXXOUUDAZLH-SECBINFHSA-N 0 3 268.317 -1.715 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2cncn2)C1 ZINC001000102425 656595465 /nfs/dbraw/zinc/59/54/65/656595465.db2.gz NSZPYYRABJOZJF-NSHDSACASA-N 0 3 292.343 -1.301 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1)C(N)=O ZINC001000024942 656595818 /nfs/dbraw/zinc/59/58/18/656595818.db2.gz GFMRDSUCIODOIW-RKDXNWHRSA-N 0 3 293.327 -1.162 20 0 CAADHN NC(=O)C1(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001000064483 656596609 /nfs/dbraw/zinc/59/66/09/656596609.db2.gz OUZCHESAYUFVAY-UWVGGRQHSA-N 0 3 294.355 -1.279 20 0 CAADHN NC(=O)C1(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001000064475 656598360 /nfs/dbraw/zinc/59/83/60/656598360.db2.gz OUZCHESAYUFVAY-NXEZZACHSA-N 0 3 294.355 -1.279 20 0 CAADHN CC[C@@H](N[C@@H]1CCCN(C(=O)C(N)=O)C1)C(N)=O ZINC001000066184 656598565 /nfs/dbraw/zinc/59/85/65/656598565.db2.gz VZDXQCAUWNBLQV-HTQZYQBOSA-N 0 3 256.306 -1.684 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCC(=O)N1 ZINC001000104476 656598645 /nfs/dbraw/zinc/59/86/45/656598645.db2.gz LUNCHXNMFXNOLR-RNCFNFMXSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001000066248 656598665 /nfs/dbraw/zinc/59/86/65/656598665.db2.gz SQAYGQYWEWVGSD-MRVPVSSYSA-N 0 3 268.317 -1.682 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CCNC1=O ZINC001000168832 656600242 /nfs/dbraw/zinc/60/02/42/656600242.db2.gz IABASGHGSWILCZ-TVQRCGJNSA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@]1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCNC1=O ZINC001000168831 656600710 /nfs/dbraw/zinc/60/07/10/656600710.db2.gz IABASGHGSWILCZ-RNCFNFMXSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001000197818 656601565 /nfs/dbraw/zinc/60/15/65/656601565.db2.gz CXMFOZOHRKXHLD-HLTSFMKQSA-N 0 3 268.317 -1.826 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001000203515 656603771 /nfs/dbraw/zinc/60/37/71/656603771.db2.gz DLBHCTYYGMXSIB-VWYCJHECSA-N 0 3 296.371 -1.046 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001016198915 656605407 /nfs/dbraw/zinc/60/54/07/656605407.db2.gz CRRAIYWCSCGIQS-UWVGGRQHSA-N 0 3 298.343 -1.548 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200190 656605769 /nfs/dbraw/zinc/60/57/69/656605769.db2.gz SEDZOQLIVCRINB-IUCAKERBSA-N 0 3 284.316 -1.891 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001000440465 656605781 /nfs/dbraw/zinc/60/57/81/656605781.db2.gz AZZSSXLVNNNZHM-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001000440474 656606457 /nfs/dbraw/zinc/60/64/57/656606457.db2.gz AZZSSXLVNNNZHM-VHSXEESVSA-N 0 3 282.344 -1.279 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)n1 ZINC001000465190 656606573 /nfs/dbraw/zinc/60/65/73/656606573.db2.gz OVZUJLPABIBHBY-UWVGGRQHSA-N 0 3 292.343 -1.102 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001000440477 656606869 /nfs/dbraw/zinc/60/68/69/656606869.db2.gz AZZSSXLVNNNZHM-ZJUUUORDSA-N 0 3 282.344 -1.279 20 0 CAADHN C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2nc[n-]n2)C1)C(N)=O ZINC001000490915 656607171 /nfs/dbraw/zinc/60/71/71/656607171.db2.gz QDOGYKDSCIQLQZ-SFYZADRCSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)c2cnn(C)n2)C1)C(N)=O ZINC001000456478 656607211 /nfs/dbraw/zinc/60/72/11/656607211.db2.gz KECLVRIKOUXYFJ-BDAKNGLRSA-N 0 3 280.332 -1.117 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CCN2CCOCC2)C1 ZINC001000463787 656607471 /nfs/dbraw/zinc/60/74/71/656607471.db2.gz XKBVAOBFDSTUCS-LBPRGKRZSA-N 0 3 298.387 -1.225 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1)C(N)=O ZINC001000456486 656607512 /nfs/dbraw/zinc/60/75/12/656607512.db2.gz KECLVRIKOUXYFJ-DTWKUNHWSA-N 0 3 280.332 -1.117 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001000475587 656607584 /nfs/dbraw/zinc/60/75/84/656607584.db2.gz LVLHCSVBYMSWRG-QMMMGPOBSA-N 0 3 297.315 -2.396 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001000492396 656607718 /nfs/dbraw/zinc/60/77/18/656607718.db2.gz YTBXAVNKBRQQNC-IUCAKERBSA-N 0 3 278.316 -1.113 20 0 CAADHN Cc1nonc1CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001000589047 656611082 /nfs/dbraw/zinc/61/10/82/656611082.db2.gz HVJHQZRCNRPJHX-SECBINFHSA-N 0 3 281.316 -1.014 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000797997 656612114 /nfs/dbraw/zinc/61/21/14/656612114.db2.gz UABSDZOAPLMDNF-NWDGAFQWSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000797996 656612387 /nfs/dbraw/zinc/61/23/87/656612387.db2.gz UABSDZOAPLMDNF-NEPJUHHUSA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001000733164 656612531 /nfs/dbraw/zinc/61/25/31/656612531.db2.gz MWNSCMPOKLUKCS-IUCAKERBSA-N 0 3 268.317 -1.669 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)Cn2cncn2)C1)C(N)=O ZINC001000863740 656613694 /nfs/dbraw/zinc/61/36/94/656613694.db2.gz TYFXURPHTJWHND-UWVGGRQHSA-N 0 3 280.332 -1.268 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001000868345 656614213 /nfs/dbraw/zinc/61/42/13/656614213.db2.gz YQRLIUCSDTWKQO-QMMMGPOBSA-N 0 3 297.315 -2.396 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001000872871 656614357 /nfs/dbraw/zinc/61/43/57/656614357.db2.gz AHORKLSXUOPVPX-VIFPVBQESA-N 0 3 296.327 -1.799 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001000863150 656614399 /nfs/dbraw/zinc/61/43/99/656614399.db2.gz QLDHPCNUOAWCNL-VIFPVBQESA-N 0 3 266.305 -1.656 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)Cn2ccccc2=O)C1 ZINC001000882614 656614486 /nfs/dbraw/zinc/61/44/86/656614486.db2.gz QBKCSPGNDPASNB-LLVKDONJSA-N 0 3 292.339 -1.086 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000973844 656615392 /nfs/dbraw/zinc/61/53/92/656615392.db2.gz XDJFYLFBRTYWAQ-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN CN1C[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CCC1=O ZINC001001015193 656616021 /nfs/dbraw/zinc/61/60/21/656616021.db2.gz OETBHIQQJRBMTG-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)N1CCOCC1 ZINC001001086383 656616726 /nfs/dbraw/zinc/61/67/26/656616726.db2.gz LYKPGDPFTVDZPV-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN Cn1cc(CCC(=O)N2CCC[C@@H](NCC(N)=O)C2)nn1 ZINC001001069154 656616969 /nfs/dbraw/zinc/61/69/69/656616969.db2.gz FWNPHDWKHFGTRJ-SNVBAGLBSA-N 0 3 294.359 -1.186 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001001094831 656617311 /nfs/dbraw/zinc/61/73/11/656617311.db2.gz JJJOUUFJUNAGOC-BDAKNGLRSA-N 0 3 296.327 -1.895 20 0 CAADHN O=C(NCC1=CCN(CCO)CC1)[C@H]1CNC(=O)N1 ZINC001001104690 656617851 /nfs/dbraw/zinc/61/78/51/656617851.db2.gz HUTCMCCGUJDMIK-SNVBAGLBSA-N 0 3 268.317 -1.592 20 0 CAADHN O=C(NCC1=CCN(CCO)CC1)C1CC(=O)NC(=O)C1 ZINC001001256980 656620522 /nfs/dbraw/zinc/62/05/22/656620522.db2.gz NZVCELLXYAGDGX-UHFFFAOYSA-N 0 3 295.339 -1.220 20 0 CAADHN CC(C)N1CCC[C@H]1C(=O)NCC1CN(C(=O)C(N)=O)C1 ZINC001001886014 656627146 /nfs/dbraw/zinc/62/71/46/656627146.db2.gz UTYHZYYAQACTAL-NSHDSACASA-N 0 3 296.371 -1.081 20 0 CAADHN NC(=O)CN1CCC(CNC(=O)c2nnc[nH]2)CC1 ZINC001001953053 656627237 /nfs/dbraw/zinc/62/72/37/656627237.db2.gz QQNDGVKTJZKTOP-UHFFFAOYSA-N 0 3 266.305 -1.268 20 0 CAADHN NC(=O)CN1CCC(CNC(=O)c2ncn[nH]2)CC1 ZINC001001953053 656627243 /nfs/dbraw/zinc/62/72/43/656627243.db2.gz QQNDGVKTJZKTOP-UHFFFAOYSA-N 0 3 266.305 -1.268 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@@H]1COCCO1 ZINC001002375711 656629399 /nfs/dbraw/zinc/62/93/99/656629399.db2.gz LHVQCVIIJKIYNO-NSHDSACASA-N 0 3 258.318 -1.025 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CCN(CCCO)C1 ZINC001016303397 656629579 /nfs/dbraw/zinc/62/95/79/656629579.db2.gz WGZDNAXUMPKCNJ-OLZOCXBDSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@H]1CCC(=O)N1 ZINC001002465841 656630475 /nfs/dbraw/zinc/63/04/75/656630475.db2.gz MQCAPPAULZGFCD-SNVBAGLBSA-N 0 3 255.318 -1.162 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032827101 656632212 /nfs/dbraw/zinc/63/22/12/656632212.db2.gz QBHRKNIJZNGPOD-VGMNWLOBSA-N 0 3 284.316 -1.844 20 0 CAADHN COC[C@@H](C)N1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831512 656634303 /nfs/dbraw/zinc/63/43/03/656634303.db2.gz JPMSSGYLGSDURK-UTLUCORTSA-N 0 3 298.343 -1.190 20 0 CAADHN NC(=O)Cn1cc(C(=O)N[C@H]2CCN(CCCF)C2)nn1 ZINC001016341917 656635027 /nfs/dbraw/zinc/63/50/27/656635027.db2.gz VUFKOPHHDLDOAL-VIFPVBQESA-N 0 3 298.322 -1.073 20 0 CAADHN COCCN1CCC(NC(=O)Cn2ncnn2)CC1 ZINC001002830969 656636211 /nfs/dbraw/zinc/63/62/11/656636211.db2.gz MTYCPWCZKPJUEG-UHFFFAOYSA-N 0 3 268.321 -1.100 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000922122772 656639264 /nfs/dbraw/zinc/63/92/64/656639264.db2.gz IQHXEIRLTGMSTR-RKDXNWHRSA-N 0 3 278.378 -1.073 20 0 CAADHN CN(CCNC(=O)Cn1ccnc1)CCOCCO ZINC000922113139 656639510 /nfs/dbraw/zinc/63/95/10/656639510.db2.gz JAUKJISBIXZPKB-UHFFFAOYSA-N 0 3 270.333 -1.060 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCC(=O)N1C)CCOCCO ZINC000922117991 656640185 /nfs/dbraw/zinc/64/01/85/656640185.db2.gz WQTMWFMRCOEITA-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN CN(CCNC(=O)c1ncn(C)n1)CCOCCO ZINC000922114410 656640630 /nfs/dbraw/zinc/64/06/30/656640630.db2.gz XEAKOVNYTKFIIQ-UHFFFAOYSA-N 0 3 271.321 -1.514 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032832931 656641005 /nfs/dbraw/zinc/64/10/05/656641005.db2.gz GNHNPVYGKQLJMS-UTLUCORTSA-N 0 3 255.318 -1.164 20 0 CAADHN CN(CCNC(=O)CC1OCCO1)CCOCCO ZINC000922116058 656641101 /nfs/dbraw/zinc/64/11/01/656641101.db2.gz BXWUBASWPRKJNE-UHFFFAOYSA-N 0 3 276.333 -1.194 20 0 CAADHN CN(CCNC(=O)c1cc2n(n1)CCO2)CCOCCO ZINC000922113204 656641160 /nfs/dbraw/zinc/64/11/60/656641160.db2.gz LMNCWKZAGCJPBZ-UHFFFAOYSA-N 0 3 298.343 -1.054 20 0 CAADHN CO[C@@]1(C(=O)NCCN(C)CCOCCO)CCOC1 ZINC000922117549 656641431 /nfs/dbraw/zinc/64/14/31/656641431.db2.gz RLZZPZQVGLFFIF-ZDUSSCGKSA-N 0 3 290.360 -1.151 20 0 CAADHN CN(CCNC(=O)[C@@H]1CN(C)C(=O)N1)CCOCCO ZINC000922113113 656641499 /nfs/dbraw/zinc/64/14/99/656641499.db2.gz KDKIFHKKSCJFHL-JTQLQIEISA-N 0 3 288.348 -1.933 20 0 CAADHN CN(CCNC(=O)[C@@H]1CN(C)CCO1)CCOCCO ZINC000922119866 656641853 /nfs/dbraw/zinc/64/18/53/656641853.db2.gz YOBJSMGGADOKIW-LBPRGKRZSA-N 0 3 289.376 -1.626 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCCNC1=O)CCOCCO ZINC000922114273 656641871 /nfs/dbraw/zinc/64/18/71/656641871.db2.gz MUESVRXHGIWVOW-LLVKDONJSA-N 0 3 287.360 -1.431 20 0 CAADHN CN(CCNC(=O)[C@@H]1CC(=O)N(C)C1)CCOCCO ZINC000922121764 656642056 /nfs/dbraw/zinc/64/20/56/656642056.db2.gz AXXUEVOHIBIDHR-LLVKDONJSA-N 0 3 287.360 -1.478 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000922122769 656642132 /nfs/dbraw/zinc/64/21/32/656642132.db2.gz IQHXEIRLTGMSTR-DTWKUNHWSA-N 0 3 278.378 -1.073 20 0 CAADHN CN(CCNC(=O)CN1CCCC1=O)CCOCCO ZINC000922126270 656643191 /nfs/dbraw/zinc/64/31/91/656643191.db2.gz GBBWACHDIYYFRU-UHFFFAOYSA-N 0 3 287.360 -1.334 20 0 CAADHN CN(CCNC(=O)CN1CCOC1=O)CCOCCO ZINC000922131258 656643810 /nfs/dbraw/zinc/64/38/10/656643810.db2.gz LYFFNULOCUEMJM-UHFFFAOYSA-N 0 3 289.332 -1.505 20 0 CAADHN CN(CCNC(=O)Cn1ccccc1=O)CCOCCO ZINC000922128840 656643855 /nfs/dbraw/zinc/64/38/55/656643855.db2.gz ZVSZKEWHSCFGOW-UHFFFAOYSA-N 0 3 297.355 -1.095 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN(C)CCOCCO ZINC000922123689 656644453 /nfs/dbraw/zinc/64/44/53/656644453.db2.gz OMZVLBJTMOHCEF-UHFFFAOYSA-N 0 3 275.349 -1.478 20 0 CAADHN CN(CCNC(=O)C1=COCCO1)CCOCCO ZINC000922129686 656644664 /nfs/dbraw/zinc/64/46/64/656644664.db2.gz QZIUGXALACZQBU-UHFFFAOYSA-N 0 3 274.317 -1.069 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001032834254 656648175 /nfs/dbraw/zinc/64/81/75/656648175.db2.gz GNHNPVYGKQLJMS-IVZWLZJFSA-N 0 3 255.318 -1.164 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)NC2CCN(CCO)CC2)c1=O ZINC001003420030 656649798 /nfs/dbraw/zinc/64/97/98/656649798.db2.gz IBTMPGRUCMGUNR-UHFFFAOYSA-N 0 3 296.327 -1.328 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032837089 656650233 /nfs/dbraw/zinc/65/02/33/656650233.db2.gz QBHRKNIJZNGPOD-YIZRAAEISA-N 0 3 284.316 -1.844 20 0 CAADHN C[C@H](O)CN1CCC(NC(=O)c2nnn(C)n2)CC1 ZINC001003451981 656650696 /nfs/dbraw/zinc/65/06/96/656650696.db2.gz ADJMKAOHQARJOH-QMMMGPOBSA-N 0 3 268.321 -1.215 20 0 CAADHN Cn1nnc(C(=O)NC2CCN(CCO)CC2)n1 ZINC001003452027 656651402 /nfs/dbraw/zinc/65/14/02/656651402.db2.gz BGLFVHAJFVZHBJ-UHFFFAOYSA-N 0 3 254.294 -1.603 20 0 CAADHN COCCN1CCC(NC(=O)[C@H]2CNC(=O)N2)CC1 ZINC001003530611 656654138 /nfs/dbraw/zinc/65/41/38/656654138.db2.gz FYUFURTUCLWEGO-SNVBAGLBSA-N 0 3 270.333 -1.105 20 0 CAADHN NC(=O)C(=O)NC1CCN(CCN2CCCC2=O)CC1 ZINC001003538691 656656754 /nfs/dbraw/zinc/65/67/54/656656754.db2.gz CKERILZTQLBILW-UHFFFAOYSA-N 0 3 282.344 -1.325 20 0 CAADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032895728 656665960 /nfs/dbraw/zinc/66/59/60/656665960.db2.gz AXCQRHJXSMRPFP-VHSXEESVSA-N 0 3 268.321 -1.413 20 0 CAADHN COCCN1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032892500 656666607 /nfs/dbraw/zinc/66/66/07/656666607.db2.gz HFHMPWPFLMEVSY-SNVBAGLBSA-N 0 3 268.321 -1.148 20 0 CAADHN O=C(NC1CCN([C@H]2CCNC2=O)CC1)c1ncn[nH]1 ZINC001003813586 656666651 /nfs/dbraw/zinc/66/66/51/656666651.db2.gz JDBXNZITMGUNSM-VIFPVBQESA-N 0 3 278.316 -1.113 20 0 CAADHN O=C(NC1CCN([C@H]2CCNC2=O)CC1)c1nc[nH]n1 ZINC001003813586 656666656 /nfs/dbraw/zinc/66/66/56/656666656.db2.gz JDBXNZITMGUNSM-VIFPVBQESA-N 0 3 278.316 -1.113 20 0 CAADHN CN(C(=O)[C@H]1CCC(=O)N1)[C@H]1CCN(CCO)C1 ZINC001032969721 656667246 /nfs/dbraw/zinc/66/72/46/656667246.db2.gz ZBJSDZGPUPCDNB-VHSXEESVSA-N 0 3 255.318 -1.210 20 0 CAADHN O=C(Cc1nnc[nH]1)NC1CCN([C@@H]2CCNC2=O)CC1 ZINC001003930063 656667544 /nfs/dbraw/zinc/66/75/44/656667544.db2.gz HEHDCRVSAQNFGM-SNVBAGLBSA-N 0 3 292.343 -1.184 20 0 CAADHN C[C@@H](C(N)=O)N1CCC(NC(=O)Cc2nnc[nH]2)CC1 ZINC001003930763 656668116 /nfs/dbraw/zinc/66/81/16/656668116.db2.gz RVSDGCQGEQNKNC-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN CN(C(=O)[C@@H]1CN(C)CCO1)[C@H]1CCN(CCO)C1 ZINC001032981367 656671492 /nfs/dbraw/zinc/67/14/92/656671492.db2.gz RKPLCSTWNDSMFJ-RYUDHWBXSA-N 0 3 271.361 -1.158 20 0 CAADHN CN1C(=O)CN(CC(=O)NC2CCN(CCO)CC2)C1=O ZINC001003960016 656671499 /nfs/dbraw/zinc/67/14/99/656671499.db2.gz XVBGHWDHWRKWFM-UHFFFAOYSA-N 0 3 298.343 -1.547 20 0 CAADHN CN(C(=O)[C@@H]1COCCN1C)[C@H]1CCN(CCO)C1 ZINC001033018231 656672232 /nfs/dbraw/zinc/67/22/32/656672232.db2.gz FHSBBPLMGQOINW-RYUDHWBXSA-N 0 3 271.361 -1.158 20 0 CAADHN CN1CC(=O)N(CC(=O)NC2CCN(CCO)CC2)C1=O ZINC001004111381 656672545 /nfs/dbraw/zinc/67/25/45/656672545.db2.gz VAZMRZUNDLLBOQ-UHFFFAOYSA-N 0 3 298.343 -1.547 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)NC2CCN(CCO)CC2)C1 ZINC001004075824 656672632 /nfs/dbraw/zinc/67/26/32/656672632.db2.gz PTKXSHVESVRQKY-ZDUSSCGKSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NC1CCN(CCO)CC1 ZINC001004111442 656672750 /nfs/dbraw/zinc/67/27/50/656672750.db2.gz ZCRUDKOEBNALJG-UHFFFAOYSA-N 0 3 284.316 -1.889 20 0 CAADHN CN(C(=O)CN1CN=NC1=O)[C@@H]1CCN(CCCO)C1 ZINC001033022174 656672805 /nfs/dbraw/zinc/67/28/05/656672805.db2.gz AGZOSUHZUZWKSN-SNVBAGLBSA-N 0 3 283.332 -1.101 20 0 CAADHN CN(C(=O)[C@H]1COCCN1C)[C@@H]1CCN(CCO)C1 ZINC001033018237 656673425 /nfs/dbraw/zinc/67/34/25/656673425.db2.gz FHSBBPLMGQOINW-VXGBXAGGSA-N 0 3 271.361 -1.158 20 0 CAADHN CN(C(=O)CN1CN=NC1=O)[C@H]1CCN(CCCO)C1 ZINC001033022171 656673606 /nfs/dbraw/zinc/67/36/06/656673606.db2.gz AGZOSUHZUZWKSN-JTQLQIEISA-N 0 3 283.332 -1.101 20 0 CAADHN COCCN1CCC(NC(=O)CN2C(=O)CNC2=O)CC1 ZINC001004108663 656673623 /nfs/dbraw/zinc/67/36/23/656673623.db2.gz IDTWYGDLGIVQFD-UHFFFAOYSA-N 0 3 298.343 -1.235 20 0 CAADHN Cn1nc(C(=O)NC2CCN(CCO)CC2)ccc1=O ZINC001004101620 656674217 /nfs/dbraw/zinc/67/42/17/656674217.db2.gz DXSDDISXUJDAGB-UHFFFAOYSA-N 0 3 280.328 -1.033 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)NC1CCN(CCO)CC1 ZINC001004174863 656677709 /nfs/dbraw/zinc/67/77/09/656677709.db2.gz ATSPPKWFAPSRIH-CYBMUJFWSA-N 0 3 299.371 -1.193 20 0 CAADHN Cn1cc(C(=O)NC2CCN(CCO)CC2)n(C)c1=O ZINC001004218780 656679421 /nfs/dbraw/zinc/67/94/21/656679421.db2.gz IZCFXVNFDAYACK-UHFFFAOYSA-N 0 3 282.344 -1.090 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)NC1CCN(CCO)CC1 ZINC001004174866 656679958 /nfs/dbraw/zinc/67/99/58/656679958.db2.gz ATSPPKWFAPSRIH-ZDUSSCGKSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033085902 656681342 /nfs/dbraw/zinc/68/13/42/656681342.db2.gz KKJMTUBVXGNGEB-NXEZZACHSA-N 0 3 268.321 -1.413 20 0 CAADHN COCCN1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033087900 656683188 /nfs/dbraw/zinc/68/31/88/656683188.db2.gz QJOGJORVBKDZQL-SNVBAGLBSA-N 0 3 268.321 -1.148 20 0 CAADHN CN(C(=O)Cn1ncnn1)[C@H]1CCN(CCCO)C1 ZINC001033087248 656683368 /nfs/dbraw/zinc/68/33/68/656683368.db2.gz ONAPMVWTYYSFQS-JTQLQIEISA-N 0 3 268.321 -1.412 20 0 CAADHN CN(C(=O)Cn1nccn1)[C@H]1CCN(CCO)C1 ZINC001033122626 656686435 /nfs/dbraw/zinc/68/64/35/656686435.db2.gz LQZKQOQYKIXOHW-JTQLQIEISA-N 0 3 253.306 -1.197 20 0 CAADHN CN(C(=O)CN1CCOCC1=O)[C@@H]1CCN(CCCO)C1 ZINC001033151200 656688043 /nfs/dbraw/zinc/68/80/43/656688043.db2.gz CNTAVHYLYBCVAY-GFCCVEGCSA-N 0 3 299.371 -1.240 20 0 CAADHN CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H]1CCN(CCO)C1 ZINC001033125017 656688589 /nfs/dbraw/zinc/68/85/89/656688589.db2.gz TXSYIVKORNPWRI-WDEREUQCSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@H]1CCN(CCO)C1 ZINC001033125015 656688696 /nfs/dbraw/zinc/68/86/96/656688696.db2.gz TXSYIVKORNPWRI-MNOVXSKESA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H]1CCN(CCO)C1 ZINC001033125016 656688923 /nfs/dbraw/zinc/68/89/23/656688923.db2.gz TXSYIVKORNPWRI-QWRGUYRKSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C(=O)CN1CCOCC1=O)[C@H]1CCN(CCCO)C1 ZINC001033151202 656689092 /nfs/dbraw/zinc/68/90/92/656689092.db2.gz CNTAVHYLYBCVAY-LBPRGKRZSA-N 0 3 299.371 -1.240 20 0 CAADHN CN(C(=O)CN1CCOCC1=O)[C@@H]1CCN(CCO)C1 ZINC001033152042 656690132 /nfs/dbraw/zinc/69/01/32/656690132.db2.gz JPLNHHCHLGIWBJ-LLVKDONJSA-N 0 3 285.344 -1.630 20 0 CAADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001033152072 656691066 /nfs/dbraw/zinc/69/10/66/656691066.db2.gz KIYHNPBNMZAWNG-RYUDHWBXSA-N 0 3 299.371 -1.241 20 0 CAADHN COCCN1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033209754 656695157 /nfs/dbraw/zinc/69/51/57/656695157.db2.gz ZOUIIRKJISENIL-LLVKDONJSA-N 0 3 297.359 -1.239 20 0 CAADHN CN(C(=O)CN1CCCNC1=O)[C@H]1CCN(CCO)C1 ZINC001033224191 656697095 /nfs/dbraw/zinc/69/70/95/656697095.db2.gz BAGBDZQBPWWCLF-NSHDSACASA-N 0 3 284.360 -1.073 20 0 CAADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033208037 656697662 /nfs/dbraw/zinc/69/76/62/656697662.db2.gz ODMAXDLZBXSTNZ-MNOVXSKESA-N 0 3 297.359 -1.505 20 0 CAADHN CN(C(=O)Cn1ccc(=O)[nH]c1=O)[C@@H]1CCN(CCO)C1 ZINC001033239855 656699049 /nfs/dbraw/zinc/69/90/49/656699049.db2.gz GFCQTTDFSTVQTD-SNVBAGLBSA-N 0 3 296.327 -1.526 20 0 CAADHN CN(C(=O)c1cn(C)c(=O)cn1)[C@@H]1CCN(CCO)C1 ZINC001033283001 656701686 /nfs/dbraw/zinc/70/16/86/656701686.db2.gz IPDWPLJVTWBWHU-SNVBAGLBSA-N 0 3 280.328 -1.081 20 0 CAADHN CN(C(=O)Cn1cnnn1)C1CCN(CCO)CC1 ZINC001005093615 656701760 /nfs/dbraw/zinc/70/17/60/656701760.db2.gz WNAPTDTUYLEGJT-UHFFFAOYSA-N 0 3 268.321 -1.412 20 0 CAADHN CN(C(=O)c1cn(C)c(=O)cn1)[C@H]1CCN(CCO)C1 ZINC001033283000 656702389 /nfs/dbraw/zinc/70/23/89/656702389.db2.gz IPDWPLJVTWBWHU-JTQLQIEISA-N 0 3 280.328 -1.081 20 0 CAADHN CN(C(=O)CN1CCNC(=O)C1)[C@H]1CCN(CCCO)C1 ZINC001033327938 656703358 /nfs/dbraw/zinc/70/33/58/656703358.db2.gz LNQLNXFRNNVGQO-LBPRGKRZSA-N 0 3 298.387 -1.667 20 0 CAADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033327335 656703917 /nfs/dbraw/zinc/70/39/17/656703917.db2.gz HWKKGTMNQZCIOG-NWDGAFQWSA-N 0 3 298.387 -1.668 20 0 CAADHN O[C@H](COC[C@H]1CCCO1)CN1C[C@H](O)[C@@H](O)C1 ZINC000625712265 656705683 /nfs/dbraw/zinc/70/56/83/656705683.db2.gz SKWLBSUUFMVDFA-USZNOCQGSA-N 0 3 261.318 -1.420 20 0 CAADHN CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CCN(CCCO)C1 ZINC001033327034 656706505 /nfs/dbraw/zinc/70/65/05/656706505.db2.gz GGJNSTURQWLDGA-MNOVXSKESA-N 0 3 284.360 -1.075 20 0 CAADHN CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CCN(CCCO)C1 ZINC001033327033 656706804 /nfs/dbraw/zinc/70/68/04/656706804.db2.gz GGJNSTURQWLDGA-GHMZBOCLSA-N 0 3 284.360 -1.075 20 0 CAADHN CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033372758 656708401 /nfs/dbraw/zinc/70/84/01/656708401.db2.gz KLLRUQLJBIWCIN-IUCAKERBSA-N 0 3 256.306 -1.807 20 0 CAADHN CN1CCOC[C@H]1CNS(=O)(=O)N1CCNCC1 ZINC000700142666 656708834 /nfs/dbraw/zinc/70/88/34/656708834.db2.gz GPJWUOLZCPOHAE-SNVBAGLBSA-N 0 3 278.378 -1.943 20 0 CAADHN CN(C(=O)c1c[nH]c(=O)cn1)[C@H]1CCN(CCO)C1 ZINC001033367922 656709185 /nfs/dbraw/zinc/70/91/85/656709185.db2.gz GPUHYGQLRGIIIX-VIFPVBQESA-N 0 3 266.301 -1.092 20 0 CAADHN CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CCN(CCCO)C1 ZINC001033409489 656713742 /nfs/dbraw/zinc/71/37/42/656713742.db2.gz LPFOOLKODQHTRX-GRYCIOLGSA-N 0 3 299.371 -1.066 20 0 CAADHN CN(C(=O)CN1CC(=O)NC1=O)[C@@H]1CCN(CCO)C1 ZINC001033507191 656714992 /nfs/dbraw/zinc/71/49/92/656714992.db2.gz CPIQZGLEIDZDMK-SECBINFHSA-N 0 3 284.316 -1.937 20 0 CAADHN CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(CC(N)=O)C1 ZINC001033452468 656715045 /nfs/dbraw/zinc/71/50/45/656715045.db2.gz LOOHZGPCGLNWKO-JTQLQIEISA-N 0 3 265.317 -1.030 20 0 CAADHN CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CCN(CCCO)C1 ZINC001033463268 656715193 /nfs/dbraw/zinc/71/51/93/656715193.db2.gz JZWRXHVFNRMJAS-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CCN(CCO)C1 ZINC001033503334 656715322 /nfs/dbraw/zinc/71/53/22/656715322.db2.gz XHALEIWTBIBBBW-JTQLQIEISA-N 0 3 283.328 -1.436 20 0 CAADHN CN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CCN(CCCO)C1 ZINC001033503585 656715862 /nfs/dbraw/zinc/71/58/62/656715862.db2.gz ZOKLCDSFRNAEDE-NSHDSACASA-N 0 3 297.355 -1.046 20 0 CAADHN COCCN1CC[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507969 656716088 /nfs/dbraw/zinc/71/60/88/656716088.db2.gz NKEBHTOOKAAIIX-SNVBAGLBSA-N 0 3 298.343 -1.283 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501045 656716188 /nfs/dbraw/zinc/71/61/88/656716188.db2.gz AFEUZLKECRIYAG-MWLCHTKSSA-N 0 3 297.355 -1.047 20 0 CAADHN CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H]1CCN(CCO)C1 ZINC001033425930 656716304 /nfs/dbraw/zinc/71/63/04/656716304.db2.gz LJTBWDCBDYVSOF-AEJSXWLSSA-N 0 3 255.318 -1.367 20 0 CAADHN CN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CCN(CCO)C1 ZINC001033503335 656716923 /nfs/dbraw/zinc/71/69/23/656716923.db2.gz XHALEIWTBIBBBW-SNVBAGLBSA-N 0 3 283.328 -1.436 20 0 CAADHN C[C@H](CN1CCOCC1)NC(=O)[C@@H](N)CN(C)C ZINC000702428061 656737363 /nfs/dbraw/zinc/73/73/63/656737363.db2.gz HCIVKCLYGOZKGV-MNOVXSKESA-N 0 3 258.366 -1.288 20 0 CAADHN CN(C(=O)CN1CCC(=O)NC1=O)[C@H]1CCN(CCO)C1 ZINC001033564553 656720012 /nfs/dbraw/zinc/72/00/12/656720012.db2.gz WAEBXUMUHZDOEV-JTQLQIEISA-N 0 3 298.343 -1.547 20 0 CAADHN CN(C(=O)CN1CC(=O)N(C)C1=O)[C@H]1CCN(CCO)C1 ZINC001033577427 656720072 /nfs/dbraw/zinc/72/00/72/656720072.db2.gz MWKIZJJXZGPXKL-JTQLQIEISA-N 0 3 298.343 -1.595 20 0 CAADHN CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033606000 656724046 /nfs/dbraw/zinc/72/40/46/656724046.db2.gz ZBJSDZGPUPCDNB-UWVGGRQHSA-N 0 3 255.318 -1.210 20 0 CAADHN CN(C(=O)Cn1cncn1)[C@@H]1CCN(CCO)C1 ZINC001033646501 656725390 /nfs/dbraw/zinc/72/53/90/656725390.db2.gz ZKTZHSBTALNQBW-SNVBAGLBSA-N 0 3 253.306 -1.197 20 0 CAADHN CN(C(=O)CN1C(=O)CN(C)C1=O)[C@H]1CCN(CCO)C1 ZINC001033641993 656725470 /nfs/dbraw/zinc/72/54/70/656725470.db2.gz HPRVLFKYYKRQFX-JTQLQIEISA-N 0 3 298.343 -1.595 20 0 CAADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033645973 656725656 /nfs/dbraw/zinc/72/56/56/656725656.db2.gz ZXSPUEPIFSZATH-VHSXEESVSA-N 0 3 298.343 -1.548 20 0 CAADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033645974 656726227 /nfs/dbraw/zinc/72/62/27/656726227.db2.gz ZXSPUEPIFSZATH-ZJUUUORDSA-N 0 3 298.343 -1.548 20 0 CAADHN CN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@H]1CCN(CCO)C1 ZINC001033662591 656727060 /nfs/dbraw/zinc/72/70/60/656727060.db2.gz ZRBHPBXKLQDYFT-VIFPVBQESA-N 0 3 296.327 -1.376 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033645971 656727108 /nfs/dbraw/zinc/72/71/08/656727108.db2.gz ZXSPUEPIFSZATH-NXEZZACHSA-N 0 3 298.343 -1.548 20 0 CAADHN COCCN1CC[C@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001033641679 656727957 /nfs/dbraw/zinc/72/79/57/656727957.db2.gz BJHRUDMTHOKGBN-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN CN(C(=O)c1cn(C)c(=O)n1C)[C@@H]1CCN(CCO)C1 ZINC001033691838 656728663 /nfs/dbraw/zinc/72/86/63/656728663.db2.gz CCXLBOCYPCQSOE-SNVBAGLBSA-N 0 3 282.344 -1.138 20 0 CAADHN CN(C(=O)C[C@H]1CC(=O)NC1=O)[C@H]1CCN(CCO)C1 ZINC001033722376 656729805 /nfs/dbraw/zinc/72/98/05/656729805.db2.gz KNJHLWBULWJBJG-ZJUUUORDSA-N 0 3 283.328 -1.436 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001033674545 656730382 /nfs/dbraw/zinc/73/03/82/656730382.db2.gz KTZWLWWCQCNLQF-QWHCGFSZSA-N 0 3 299.371 -1.241 20 0 CAADHN CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCN(CCO)C1 ZINC001033951355 656733502 /nfs/dbraw/zinc/73/35/02/656733502.db2.gz FFTSHGCKQXTFKZ-SDDRHHMPSA-N 0 3 299.371 -1.066 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000702342567 656734068 /nfs/dbraw/zinc/73/40/68/656734068.db2.gz QKDCACQSMOUNPK-JTQLQIEISA-N 0 3 271.365 -1.299 20 0 CAADHN CCN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CCN(CCO)C1 ZINC001033987789 656734393 /nfs/dbraw/zinc/73/43/93/656734393.db2.gz WVTGKVRPBNTAPI-LLVKDONJSA-N 0 3 297.355 -1.046 20 0 CAADHN CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033921189 656734542 /nfs/dbraw/zinc/73/45/42/656734542.db2.gz YKLXOAWHCXXADJ-MNOVXSKESA-N 0 3 284.360 -1.075 20 0 CAADHN CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033972156 656735120 /nfs/dbraw/zinc/73/51/20/656735120.db2.gz OPEFVXAKNSAVMN-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702339711 656736161 /nfs/dbraw/zinc/73/61/61/656736161.db2.gz FLKIYHNZQQDXAW-JTQLQIEISA-N 0 3 271.365 -2.235 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H]1CCCCN(CCO)C1 ZINC001034174627 656736443 /nfs/dbraw/zinc/73/64/43/656736443.db2.gz LHMUVCDCYJZYMO-SNVBAGLBSA-N 0 3 283.332 -1.053 20 0 CAADHN CN(C)C[C@H](N)C(=O)N(C)CC(=O)N1CCCC1 ZINC000702420705 656736704 /nfs/dbraw/zinc/73/67/04/656736704.db2.gz NBLRGMGBMCAOGS-JTQLQIEISA-N 0 3 256.350 -1.044 20 0 CAADHN O=S(=O)(NCc1ncccn1)N1CCNCC1 ZINC000702389520 656737648 /nfs/dbraw/zinc/73/76/48/656737648.db2.gz YYVNWPORRSEYIJ-UHFFFAOYSA-N 0 3 257.319 -1.284 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000702385091 656737710 /nfs/dbraw/zinc/73/77/10/656737710.db2.gz AOEDLFYLHQZBHY-ZJUUUORDSA-N 0 3 292.405 -1.585 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)[C@@H](N)CN(C)C ZINC000702387689 656738013 /nfs/dbraw/zinc/73/80/13/656738013.db2.gz OMLGDEDCOPVPND-JTQLQIEISA-N 0 3 274.365 -1.514 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CCCCN(CCO)C1 ZINC001034341388 656739730 /nfs/dbraw/zinc/73/97/30/656739730.db2.gz BRVXVVNXAZDODD-GFCCVEGCSA-N 0 3 298.387 -1.619 20 0 CAADHN Cn1cnn(CC(=O)N[C@H]2CCCCN(CCO)C2)c1=O ZINC001034278266 656740597 /nfs/dbraw/zinc/74/05/97/656740597.db2.gz BOFJPLCUDSEZQD-NSHDSACASA-N 0 3 297.359 -1.455 20 0 CAADHN O=C(N[C@H]1CCCCN(CCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001034421835 656743603 /nfs/dbraw/zinc/74/36/03/656743603.db2.gz QNYZNBQUMHGMME-UWVGGRQHSA-N 0 3 298.343 -1.453 20 0 CAADHN O=C(N[C@H]1CCCCN(CCO)C1)[C@@H]1CNC(=O)N1 ZINC001034380177 656743724 /nfs/dbraw/zinc/74/37/24/656743724.db2.gz RXAKEUONZNESHL-UWVGGRQHSA-N 0 3 270.333 -1.369 20 0 CAADHN O=C(N[C@@H]1CCCCN(CCO)C1)[C@H]1CNC(=O)N1 ZINC001034380176 656744598 /nfs/dbraw/zinc/74/45/98/656744598.db2.gz RXAKEUONZNESHL-NXEZZACHSA-N 0 3 270.333 -1.369 20 0 CAADHN NC(=O)CN1CCCC[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001034447185 656744821 /nfs/dbraw/zinc/74/48/21/656744821.db2.gz FUGGTKOTEOJQFN-QMMMGPOBSA-N 0 3 266.305 -1.126 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000703130337 656745898 /nfs/dbraw/zinc/74/58/98/656745898.db2.gz XGGGQOPLRPFGRZ-SSDOTTSWSA-N 0 3 283.375 -2.089 20 0 CAADHN CS(=O)(=O)N1CCCN(S(=O)(=O)C2CNC2)CC1 ZINC000703163124 656745965 /nfs/dbraw/zinc/74/59/65/656745965.db2.gz LBHJTYHJHXYOIZ-UHFFFAOYSA-N 0 3 297.402 -1.745 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@H]1CCCCN(CCO)C1 ZINC001034518885 656746197 /nfs/dbraw/zinc/74/61/97/656746197.db2.gz YCXOSWVGIQRNPT-JTQLQIEISA-N 0 3 298.343 -1.499 20 0 CAADHN Cn1nncc1CNC[C@H]1CCCN1C(=O)CC(N)=O ZINC001034889888 656750262 /nfs/dbraw/zinc/75/02/62/656750262.db2.gz UQOURPSWTXFEEK-SECBINFHSA-N 0 3 280.332 -1.229 20 0 CAADHN O=C(Cn1ncnn1)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001034939194 656750462 /nfs/dbraw/zinc/75/04/62/656750462.db2.gz XXCDBXLASCWIMZ-NXEZZACHSA-N 0 3 293.331 -1.858 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001034968134 656750673 /nfs/dbraw/zinc/75/06/73/656750673.db2.gz KEKCITORNJSJPT-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN O=C(Cn1cnnn1)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001034855396 656750804 /nfs/dbraw/zinc/75/08/04/656750804.db2.gz ZFUYFHZESDDNEN-ZJUUUORDSA-N 0 3 293.331 -1.858 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001034925356 656751660 /nfs/dbraw/zinc/75/16/60/656751660.db2.gz JCAPSANBYLNPSA-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN COCC(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001034832855 656751681 /nfs/dbraw/zinc/75/16/81/656751681.db2.gz OTGRSDFGVCMHJA-SECBINFHSA-N 0 3 283.332 -1.165 20 0 CAADHN CN1CC[C@H](NC[C@H]2CCCN2C(=O)CC(N)=O)C1=O ZINC001034888219 656751705 /nfs/dbraw/zinc/75/17/05/656751705.db2.gz VAZYCXLALCDUHU-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2nnc[n-]2)CC1 ZINC001034775007 656751829 /nfs/dbraw/zinc/75/18/29/656751829.db2.gz AXNQCJXZFOOXSS-KYZUINATSA-N 0 3 280.332 -1.151 20 0 CAADHN Cn1cncc1CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001035032328 656752367 /nfs/dbraw/zinc/75/23/67/656752367.db2.gz QKMOOKJKQOKHQJ-SECBINFHSA-N 0 3 265.317 -1.014 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]1CN[C@H]1CCCNC1=O ZINC001035034868 656752957 /nfs/dbraw/zinc/75/29/57/656752957.db2.gz NKJSWSUVDYFWOU-BDAKNGLRSA-N 0 3 268.317 -1.669 20 0 CAADHN C[C@@H](CNS(=O)(=O)N1CCNCC1)S(C)(=O)=O ZINC000704921638 656753308 /nfs/dbraw/zinc/75/33/08/656753308.db2.gz FBXYVNKIUPAYLD-QMMMGPOBSA-N 0 3 285.391 -1.841 20 0 CAADHN CN(C)C(=O)CN1CCC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035220317 656753383 /nfs/dbraw/zinc/75/33/83/656753383.db2.gz APPRYNGNBSGTEE-UHFFFAOYSA-N 0 3 296.371 -1.126 20 0 CAADHN C[C@@H](C(N)=O)N1CCC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035220727 656755150 /nfs/dbraw/zinc/75/51/50/656755150.db2.gz MYGQQRISLTZTRT-VIFPVBQESA-N 0 3 282.344 -1.340 20 0 CAADHN COCC(=O)N1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000705418564 656762100 /nfs/dbraw/zinc/76/21/00/656762100.db2.gz HQTJICZWCVITIS-JTQLQIEISA-N 0 3 272.349 -1.808 20 0 CAADHN C[C@H](O)CN1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035782124 656782678 /nfs/dbraw/zinc/78/26/78/656782678.db2.gz NQGICVSXWAPYKX-QWRGUYRKSA-N 0 3 296.371 -1.027 20 0 CAADHN C[C@H](O)CN1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035782129 656783051 /nfs/dbraw/zinc/78/30/51/656783051.db2.gz NQGICVSXWAPYKX-WDEREUQCSA-N 0 3 296.371 -1.027 20 0 CAADHN CN1C[C@H](C(=O)N2CCC3(CN(CCO)C3)CC2)NC1=O ZINC001035768726 656784010 /nfs/dbraw/zinc/78/40/10/656784010.db2.gz MJKCWAQSXQFKGU-LLVKDONJSA-N 0 3 296.371 -1.073 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036089862 656788902 /nfs/dbraw/zinc/78/89/02/656788902.db2.gz MQJYJNUZTDUCPH-SFYZADRCSA-N 0 3 266.305 -1.270 20 0 CAADHN Cc1nnc(CN[C@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)[nH]1 ZINC001036162690 656790926 /nfs/dbraw/zinc/79/09/26/656790926.db2.gz JCYHGXFPXBGCMH-CBAPKCEASA-N 0 3 280.332 -1.075 20 0 CAADHN Cc1nnc(CN[C@@H]2CCN(C(=O)C(N)=O)C[C@H]2C)[nH]1 ZINC001036162692 656791051 /nfs/dbraw/zinc/79/10/51/656791051.db2.gz JCYHGXFPXBGCMH-VXNVDRBHSA-N 0 3 280.332 -1.075 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)CC[C@H]1[NH2+]CC(N)=O ZINC001036214092 656791268 /nfs/dbraw/zinc/79/12/68/656791268.db2.gz BOKSHMPFHJVQLV-HTQZYQBOSA-N 0 3 266.305 -1.270 20 0 CAADHN CN(CCC1CCN(C(=O)C(N)=O)CC1)[C@H]1CCNC1=O ZINC001036603582 656792536 /nfs/dbraw/zinc/79/25/36/656792536.db2.gz NFTSKIFVBHJCMZ-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C(=O)c1nnn(C)n1)C1CCN(CCO)CC1 ZINC001005840330 656799470 /nfs/dbraw/zinc/79/94/70/656799470.db2.gz KQPOFJZNHKIIAL-UHFFFAOYSA-N 0 3 268.321 -1.261 20 0 CAADHN CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CCN(CCO)CC1 ZINC001005827279 656799923 /nfs/dbraw/zinc/79/99/23/656799923.db2.gz VKBVSEZTPNQASC-NSHDSACASA-N 0 3 284.360 -1.075 20 0 CAADHN CNC(=O)CN1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 ZINC001036671614 656800057 /nfs/dbraw/zinc/80/00/57/656800057.db2.gz MWSWYDMGJUJORR-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C(=O)C(N)=O)C1CCN(CCN2CCNC2=O)CC1 ZINC001005914118 656800669 /nfs/dbraw/zinc/80/06/69/656800669.db2.gz KQFNGPFLNIHAGQ-UHFFFAOYSA-N 0 3 297.359 -1.580 20 0 CAADHN CN(C(=O)[C@H]1CNC(=O)N1)C1CCN(CCO)CC1 ZINC001005918562 656802146 /nfs/dbraw/zinc/80/21/46/656802146.db2.gz SPSDOOOORIOBSS-SNVBAGLBSA-N 0 3 270.333 -1.417 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](N2CCNCC2=O)C1 ZINC000923332102 656802558 /nfs/dbraw/zinc/80/25/58/656802558.db2.gz HCKLDWHEOOABLS-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1CCN(CCO)CC1 ZINC001006068983 656803663 /nfs/dbraw/zinc/80/36/63/656803663.db2.gz URIJIACDUSDZNS-JTQLQIEISA-N 0 3 298.343 -1.500 20 0 CAADHN NC(=O)CC(=O)N1CCC(O)(CN[C@H]2CCNC2=O)CC1 ZINC000946918801 656807024 /nfs/dbraw/zinc/80/70/24/656807024.db2.gz RXJMQEMBCSTGAA-VIFPVBQESA-N 0 3 298.343 -2.307 20 0 CAADHN CN(C(=O)CN1CC(=O)NC1=O)C1CCN(CCO)CC1 ZINC001006145803 656807526 /nfs/dbraw/zinc/80/75/26/656807526.db2.gz CIMVRLHWIWFXQU-UHFFFAOYSA-N 0 3 298.343 -1.547 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CCN(CCCO)C1 ZINC001016436594 656808431 /nfs/dbraw/zinc/80/84/31/656808431.db2.gz MCERAUUGRPPTRW-ZJUUUORDSA-N 0 3 283.328 -1.388 20 0 CAADHN CC(C)N1C[C@@H](NS(=O)(=O)N2CCNCC2)CC1=O ZINC000923602419 656808499 /nfs/dbraw/zinc/80/84/99/656808499.db2.gz AKLRYANMSLJIKS-JTQLQIEISA-N 0 3 290.389 -1.265 20 0 CAADHN CNC(=O)C1(NS(=O)(=O)C2CNC2)CCCC1 ZINC000923602559 656808529 /nfs/dbraw/zinc/80/85/29/656808529.db2.gz DUSBQRPZMBTESB-UHFFFAOYSA-N 0 3 261.347 -1.064 20 0 CAADHN O=S(=O)(NCCCN1CCCS1(=O)=O)C1CNC1 ZINC000923603155 656808662 /nfs/dbraw/zinc/80/86/62/656808662.db2.gz JTEMUPPCBSOSPG-UHFFFAOYSA-N 0 3 297.402 -1.697 20 0 CAADHN Cn1cc(N2CC[C@H]([N-]S(=O)(=O)C3C[NH2+]C3)C2=O)cn1 ZINC000923611851 656809702 /nfs/dbraw/zinc/80/97/02/656809702.db2.gz DISQCRJIJQCTTL-JTQLQIEISA-N 0 3 299.356 -1.583 20 0 CAADHN COCCN(CC(=O)OC)S(=O)(=O)C1CNC1 ZINC000923610930 656809906 /nfs/dbraw/zinc/80/99/06/656809906.db2.gz KNXBFNJXJXWUOI-UHFFFAOYSA-N 0 3 266.319 -1.591 20 0 CAADHN Cn1cc(N2CC[C@H](NS(=O)(=O)C3CNC3)C2=O)cn1 ZINC000923611851 656809705 /nfs/dbraw/zinc/80/97/05/656809705.db2.gz DISQCRJIJQCTTL-JTQLQIEISA-N 0 3 299.356 -1.583 20 0 CAADHN O=S(=O)(C1CNC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000923608388 656809784 /nfs/dbraw/zinc/80/97/84/656809784.db2.gz RTNWLYHYTOUSAY-JTQLQIEISA-N 0 3 286.357 -1.115 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923611423 656809790 /nfs/dbraw/zinc/80/97/90/656809790.db2.gz VEJJDRKSDQPCPM-MRVPVSSYSA-N 0 3 297.402 -1.698 20 0 CAADHN O=S(=O)(NCCOC[C@H]1CCOC1)C1CNC1 ZINC000923608566 656809954 /nfs/dbraw/zinc/80/99/54/656809954.db2.gz UUPHYQQQJWGABZ-VIFPVBQESA-N 0 3 264.347 -1.069 20 0 CAADHN COCCOC[C@H](C)NS(=O)(=O)C1CNC1 ZINC000923621738 656810242 /nfs/dbraw/zinc/81/02/42/656810242.db2.gz ZFJGULGBNIRDEI-QMMMGPOBSA-N 0 3 252.336 -1.071 20 0 CAADHN COC(=O)[C@@H]([N-]S(=O)(=O)N1CC[NH2+]CC1)C1CC1 ZINC000923626976 656810251 /nfs/dbraw/zinc/81/02/51/656810251.db2.gz PLRJMMGHYWPIAB-VIFPVBQESA-N 0 3 277.346 -1.322 20 0 CAADHN O=C1C[C@@H](NS(=O)(=O)C2CNC2)CN1C1CC1 ZINC000923623829 656810280 /nfs/dbraw/zinc/81/02/80/656810280.db2.gz MEBXMIIFZVGLLF-SSDOTTSWSA-N 0 3 259.331 -1.359 20 0 CAADHN C[C@@H](O)CN1CCN(S(=O)(=O)C2CNC2)C[C@@H]1C ZINC000923620635 656810330 /nfs/dbraw/zinc/81/03/30/656810330.db2.gz KGNCYWDLHAGBJE-VHSXEESVSA-N 0 3 277.390 -1.325 20 0 CAADHN COC(=O)[C@H]([N-]S(=O)(=O)N1CC[NH2+]CC1)C1CC1 ZINC000923626975 656810443 /nfs/dbraw/zinc/81/04/43/656810443.db2.gz PLRJMMGHYWPIAB-SECBINFHSA-N 0 3 277.346 -1.322 20 0 CAADHN CC[C@@H](NS(=O)(=O)C1CNC1)C(=O)N1CCOCC1 ZINC000923627018 656810527 /nfs/dbraw/zinc/81/05/27/656810527.db2.gz XPUGFCXVHYXFED-SNVBAGLBSA-N 0 3 291.373 -1.485 20 0 CAADHN COC(=O)[C@@H](C)CNS(=O)(=O)N1CCNCC1 ZINC000923626696 656810560 /nfs/dbraw/zinc/81/05/60/656810560.db2.gz BYPWVIYHZIICTN-QMMMGPOBSA-N 0 3 265.335 -1.465 20 0 CAADHN O=C1C[C@H](NS(=O)(=O)C2CNC2)CN1C1CC1 ZINC000923623831 656810584 /nfs/dbraw/zinc/81/05/84/656810584.db2.gz MEBXMIIFZVGLLF-ZETCQYMHSA-N 0 3 259.331 -1.359 20 0 CAADHN COC1CCN(CCNS(=O)(=O)C2CNC2)CC1 ZINC000923625073 656810646 /nfs/dbraw/zinc/81/06/46/656810646.db2.gz IILVKVFVSXJCQT-UHFFFAOYSA-N 0 3 277.390 -1.012 20 0 CAADHN O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)C1CNC1 ZINC000923624702 656810706 /nfs/dbraw/zinc/81/07/06/656810706.db2.gz RPIMBODXTIQENI-SFYZADRCSA-N 0 3 259.331 -1.359 20 0 CAADHN O=C1C[C@H]2CC[C@@H](CN1)N2S(=O)(=O)N1CCNCC1 ZINC000923624775 656810713 /nfs/dbraw/zinc/81/07/13/656810713.db2.gz TXAOBTJERRIPBM-ZJUUUORDSA-N 0 3 288.373 -1.511 20 0 CAADHN O=S(=O)(N[C@@H]1CCCn2ncnc21)N1CCNCC1 ZINC000923627060 656810725 /nfs/dbraw/zinc/81/07/25/656810725.db2.gz XYAJDAMOMGCLCS-SECBINFHSA-N 0 3 286.361 -1.147 20 0 CAADHN O=S(=O)(N[C@H]1CCCn2ncnc21)N1CCNCC1 ZINC000923627063 656810829 /nfs/dbraw/zinc/81/08/29/656810829.db2.gz XYAJDAMOMGCLCS-VIFPVBQESA-N 0 3 286.361 -1.147 20 0 CAADHN COCCOC[C@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923620819 656810848 /nfs/dbraw/zinc/81/08/48/656810848.db2.gz MBPKJYPZMNMDAG-JTQLQIEISA-N 0 3 281.378 -1.223 20 0 CAADHN O=S(=O)(NCCO[C@H]1CCOC1)N1CCNCC1 ZINC000923734686 656816727 /nfs/dbraw/zinc/81/67/27/656816727.db2.gz SEIMSKVSTDHCBQ-JTQLQIEISA-N 0 3 279.362 -1.469 20 0 CAADHN O=S(=O)(NC[C@H]1CCNCC1(F)F)N1CCNCC1 ZINC000923646424 656812311 /nfs/dbraw/zinc/81/23/11/656812311.db2.gz RTKVBRALEBKZFS-SECBINFHSA-N 0 3 298.359 -1.029 20 0 CAADHN O=C1O[C@@H](CNS(=O)(=O)C2CNC2)CN1C1CC1 ZINC000923654571 656812336 /nfs/dbraw/zinc/81/23/36/656812336.db2.gz ITOOAWDVMXYBRS-QMMMGPOBSA-N 0 3 275.330 -1.139 20 0 CAADHN O=S(=O)(N1CCNCC1)N1CC[C@H]2OCCN[C@H]2C1 ZINC000923645187 656812349 /nfs/dbraw/zinc/81/23/49/656812349.db2.gz RAUDOHLNYIAMOR-WDEREUQCSA-N 0 3 290.389 -1.801 20 0 CAADHN Cn1cnnc1N1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923654466 656812512 /nfs/dbraw/zinc/81/25/12/656812512.db2.gz HKELHQZYBMNJTR-UHFFFAOYSA-N 0 3 286.361 -1.761 20 0 CAADHN O=S(=O)(N1CCNCC1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC000923645185 656812617 /nfs/dbraw/zinc/81/26/17/656812617.db2.gz RAUDOHLNYIAMOR-MNOVXSKESA-N 0 3 290.389 -1.801 20 0 CAADHN CON(C)C(=O)[C@H](C)NS(=O)(=O)C1CNC1 ZINC000923664768 656813105 /nfs/dbraw/zinc/81/31/05/656813105.db2.gz RYLGHWRDFKXVSN-LURJTMIESA-N 0 3 251.308 -1.714 20 0 CAADHN CO[C@@H](CNS(=O)(=O)C1CNC1)[C@@H]1CCOC1 ZINC000923657378 656813169 /nfs/dbraw/zinc/81/31/69/656813169.db2.gz PBRDFADIGJIXOV-SCZZXKLOSA-N 0 3 264.347 -1.071 20 0 CAADHN CON(C)C(=O)[C@@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923663368 656813318 /nfs/dbraw/zinc/81/33/18/656813318.db2.gz JFDIBTCYBONOGY-MRVPVSSYSA-N 0 3 280.350 -1.866 20 0 CAADHN CO[C@H](CNS(=O)(=O)N1CCNCC1)[C@@H]1CCOC1 ZINC000923657661 656813392 /nfs/dbraw/zinc/81/33/92/656813392.db2.gz UKKXXPPFAJCFJO-GHMZBOCLSA-N 0 3 293.389 -1.223 20 0 CAADHN CN(C[C@@H]1COCCO1)S(=O)(=O)C1CNC1 ZINC000923654919 656813488 /nfs/dbraw/zinc/81/34/88/656813488.db2.gz LRLJLVVVONXNHP-MRVPVSSYSA-N 0 3 250.320 -1.365 20 0 CAADHN COC[C@]1(C)CN(S(=O)(=O)N2CCNCC2)CCO1 ZINC000923662843 656813495 /nfs/dbraw/zinc/81/34/95/656813495.db2.gz SJLCEUCXHDVPQM-NSHDSACASA-N 0 3 293.389 -1.126 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C2CNC2)CCN1S(C)(=O)=O ZINC000923656204 656813654 /nfs/dbraw/zinc/81/36/54/656813654.db2.gz ZXFGDASHZZNMLO-MRVPVSSYSA-N 0 3 297.402 -1.746 20 0 CAADHN CNC(=O)NC[C@H]1COCCN1S(=O)(=O)C1CNC1 ZINC000923664318 656813680 /nfs/dbraw/zinc/81/36/80/656813680.db2.gz GOPSKTSREIFDLA-QMMMGPOBSA-N 0 3 292.361 -2.082 20 0 CAADHN O=C1NCC[C@H]2CCCN(S(=O)(=O)C3CNC3)[C@H]12 ZINC000923675096 656813987 /nfs/dbraw/zinc/81/39/87/656813987.db2.gz RISQJYOQGUCXBK-SCZZXKLOSA-N 0 3 273.358 -1.112 20 0 CAADHN CN(C)S(=O)(=O)C1(CNS(=O)(=O)C2CNC2)CC1 ZINC000923675082 656814062 /nfs/dbraw/zinc/81/40/62/656814062.db2.gz XPSIPPRGNLICRL-UHFFFAOYSA-N 0 3 297.402 -1.698 20 0 CAADHN CC[C@@H]1COCCN1CCNS(=O)(=O)C1CNC1 ZINC000923670473 656814099 /nfs/dbraw/zinc/81/40/99/656814099.db2.gz DXAHJNIOTMEPPM-SNVBAGLBSA-N 0 3 277.390 -1.012 20 0 CAADHN O=S(=O)(C1CNC1)N1CCCn2nncc2C1 ZINC000923672552 656814107 /nfs/dbraw/zinc/81/41/07/656814107.db2.gz DWBOSAPNTXNHMA-UHFFFAOYSA-N 0 3 257.319 -1.215 20 0 CAADHN O=C1NCCO[C@H]2CCCN(S(=O)(=O)C3CNC3)[C@H]12 ZINC000923671717 656814212 /nfs/dbraw/zinc/81/42/12/656814212.db2.gz IFLXLUGFCAUOJW-UWVGGRQHSA-N 0 3 289.357 -1.733 20 0 CAADHN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCNCCNCC1 ZINC000923692325 656815909 /nfs/dbraw/zinc/81/59/09/656815909.db2.gz OAWWLSRXFFJHQX-JTQLQIEISA-N 0 3 292.405 -1.712 20 0 CAADHN COC[C@@H](C)S(=O)(=O)N1CCNCCNCC1 ZINC000923690832 656816041 /nfs/dbraw/zinc/81/60/41/656816041.db2.gz HNPMLFHNGHEVFT-SNVBAGLBSA-N 0 3 265.379 -1.154 20 0 CAADHN CN(C)C1(CS(=O)(=O)N2CCNCCNCC2)CC1 ZINC000923693363 656816098 /nfs/dbraw/zinc/81/60/98/656816098.db2.gz MFWYHAXGOCVEDY-UHFFFAOYSA-N 0 3 290.433 -1.095 20 0 CAADHN C[C@H]1OCC[C@@H]1S(=O)(=O)N1CCNCCNCC1 ZINC000923692975 656816199 /nfs/dbraw/zinc/81/61/99/656816199.db2.gz HMUPPAAJJYYPTJ-MNOVXSKESA-N 0 3 277.390 -1.012 20 0 CAADHN O=S(=O)(N1CCOCC1)N1CCNCCNCC1 ZINC000923691188 656816330 /nfs/dbraw/zinc/81/63/30/656816330.db2.gz ZEEPRGXIOMFXTJ-UHFFFAOYSA-N 0 3 278.378 -1.942 20 0 CAADHN NC(=O)C12CCC(CC1)N2S(=O)(=O)C1CNC1 ZINC000923732014 656816873 /nfs/dbraw/zinc/81/68/73/656816873.db2.gz PLSUCVHYIVGPIH-UHFFFAOYSA-N 0 3 259.331 -1.230 20 0 CAADHN CCOCCOCCNS(=O)(=O)N1CCNCC1 ZINC000923734369 656816896 /nfs/dbraw/zinc/81/68/96/656816896.db2.gz OXNBQEJUNOOCFA-UHFFFAOYSA-N 0 3 281.378 -1.221 20 0 CAADHN NC(=O)C12CCC(CC1)N2S(=O)(=O)N1CCNCC1 ZINC000923732784 656817010 /nfs/dbraw/zinc/81/70/10/656817010.db2.gz XKTXECIMGVPNOW-UHFFFAOYSA-N 0 3 288.373 -1.381 20 0 CAADHN CCOCCOCCNS(=O)(=O)C1CNC1 ZINC000923733799 656817170 /nfs/dbraw/zinc/81/71/70/656817170.db2.gz GZFQGASHJMGKJP-UHFFFAOYSA-N 0 3 252.336 -1.069 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CCC(=O)N2CCOCC2)C1=O ZINC000924842069 656817544 /nfs/dbraw/zinc/81/75/44/656817544.db2.gz OWLCWRMQPCZBMT-SNVBAGLBSA-N 0 3 298.343 -1.283 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N([C@H]2CCN(C)C2=O)C1=O ZINC000924626806 656817692 /nfs/dbraw/zinc/81/76/92/656817692.db2.gz XUUVLVIHOXOYSC-YUMQZZPRSA-N 0 3 254.290 -1.301 20 0 CAADHN CO[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@@H](O)CN2C)N(C)C1 ZINC000924982853 656817872 /nfs/dbraw/zinc/81/78/72/656817872.db2.gz YRXCCENYIKYENV-USZNOCQGSA-N 0 3 271.361 -1.113 20 0 CAADHN CCN(C)C(=O)CN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924781144 656818187 /nfs/dbraw/zinc/81/81/87/656818187.db2.gz RIOQGVSYSSLMDX-MRVPVSSYSA-N 0 3 256.306 -1.053 20 0 CAADHN CN(C)C[C@H]1NC(=O)N([C@@H]2CCC(=O)N(C)C2=O)C1=O ZINC000924951875 656818250 /nfs/dbraw/zinc/81/82/50/656818250.db2.gz STEILSQUESFVPD-HTQZYQBOSA-N 0 3 282.300 -1.384 20 0 CAADHN CN(C)C[C@H]1NC(=O)N([C@@H]2CCN(C)C2=O)C1=O ZINC000924626791 656818291 /nfs/dbraw/zinc/81/82/91/656818291.db2.gz XUUVLVIHOXOYSC-HTQZYQBOSA-N 0 3 254.290 -1.301 20 0 CAADHN CNC(=O)C[C@H](C)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924914884 656818314 /nfs/dbraw/zinc/81/83/14/656818314.db2.gz KRUQMRMTKGMXLY-YUMQZZPRSA-N 0 3 256.306 -1.007 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CCNC(=O)C2CC2)C1=O ZINC000924442477 656818477 /nfs/dbraw/zinc/81/84/77/656818477.db2.gz QXDBHIONEFSIIP-VIFPVBQESA-N 0 3 268.317 -1.005 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)N2CC(S(N)(=O)=O)C2)CCN1C ZINC000925341722 656819389 /nfs/dbraw/zinc/81/93/89/656819389.db2.gz IKQGLEHTLWVBNR-APPZFPTMSA-N 0 3 276.362 -1.239 20 0 CAADHN C[C@@H]1[C@H](NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CCN1C ZINC000925344098 656819420 /nfs/dbraw/zinc/81/94/20/656819420.db2.gz YCVXIGSKSTUAHV-DOLQZWNJSA-N 0 3 280.328 -1.007 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)C[C@H](C)O1 ZINC000926281379 656820353 /nfs/dbraw/zinc/82/03/53/656820353.db2.gz OCOCOSSXQKVYSP-TXEJJXNPSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CCO1 ZINC000926295135 656820495 /nfs/dbraw/zinc/82/04/95/656820495.db2.gz ZVYSZYDIRHLCEQ-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CC[C@@H]1COCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926308779 656821668 /nfs/dbraw/zinc/82/16/68/656821668.db2.gz HJZPPZBOPTTYGQ-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CN(CC1(CO)CC1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926336015 656821738 /nfs/dbraw/zinc/82/17/38/656821738.db2.gz VXICIBWOOOJAJB-UHFFFAOYSA-N 0 3 298.387 -1.761 20 0 CAADHN C[C@@H](O)CCN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926341920 656821788 /nfs/dbraw/zinc/82/17/88/656821788.db2.gz QVNNTKYNOGFQGK-LLVKDONJSA-N 0 3 286.376 -1.763 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CCCO1 ZINC000926330008 656821817 /nfs/dbraw/zinc/82/18/17/656821817.db2.gz JLSMXJGZSVAPJL-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@@H]1[C@H](C)OCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926335602 656821905 /nfs/dbraw/zinc/82/19/05/656821905.db2.gz AOGQQRITDFHTLN-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)[C@H]1CO ZINC000926341498 656822041 /nfs/dbraw/zinc/82/20/41/656822041.db2.gz KUVGEMQCUGZADI-NEPJUHHUSA-N 0 3 298.387 -1.763 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCCOCC1 ZINC000926311005 656822077 /nfs/dbraw/zinc/82/20/77/656822077.db2.gz RVBOKUXSXLAZIC-UHFFFAOYSA-N 0 3 284.360 -1.743 20 0 CAADHN CCOCCN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926348166 656822471 /nfs/dbraw/zinc/82/24/71/656822471.db2.gz WUIZZSUCFYWRIH-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN COC[C@H]1CCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926391549 656822882 /nfs/dbraw/zinc/82/28/82/656822882.db2.gz OSODEXBPVGVFFA-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN COC[C@@H]1CCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926391650 656823105 /nfs/dbraw/zinc/82/31/05/656823105.db2.gz OSODEXBPVGVFFA-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CCOC[C@@]1(CO)CN[C@@H]1C(=O)NCC1(C)C ZINC000926893732 656823735 /nfs/dbraw/zinc/82/37/35/656823735.db2.gz UGAGNKVVXNWXIM-MFKMUULPSA-N 0 3 271.361 -1.206 20 0 CAADHN CN1CCOC[C@@]1(CO)CN[C@H]1C(=O)NCC1(C)C ZINC000926893730 656823802 /nfs/dbraw/zinc/82/38/02/656823802.db2.gz UGAGNKVVXNWXIM-GWCFXTLKSA-N 0 3 271.361 -1.206 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CCN1C ZINC000928434100 656825474 /nfs/dbraw/zinc/82/54/74/656825474.db2.gz GUZSXJNQSPAKCU-AWHZUTQYSA-N 0 3 270.329 -1.392 20 0 CAADHN C[C@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCN1C ZINC000928423382 656825738 /nfs/dbraw/zinc/82/57/38/656825738.db2.gz AOBCQRPTWZDIRI-UWVGGRQHSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN1C ZINC000928431906 656825768 /nfs/dbraw/zinc/82/57/68/656825768.db2.gz OUDIBMGQJYIEPP-VGMNWLOBSA-N 0 3 261.347 -1.113 20 0 CAADHN C[C@H]1[C@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CCN1C ZINC000928434101 656825805 /nfs/dbraw/zinc/82/58/05/656825805.db2.gz GUZSXJNQSPAKCU-FRNCOOQWSA-N 0 3 270.329 -1.392 20 0 CAADHN C[C@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCN1C ZINC000928441437 656826202 /nfs/dbraw/zinc/82/62/02/656826202.db2.gz ONHRNZRXLFAANW-IUCAKERBSA-N 0 3 253.306 -1.209 20 0 CAADHN C[C@@H]1[C@H](NC(=O)CN2CCN(C)C(=O)C2)CCN1C ZINC000928441677 656826755 /nfs/dbraw/zinc/82/67/55/656826755.db2.gz SZBBDFQYSQEYDE-GHMZBOCLSA-N 0 3 268.361 -1.031 20 0 CAADHN CCN1CCN(CC(=O)N[C@@H]2CCN(C)[C@@H]2C)C(=O)C1=O ZINC000928453966 656827126 /nfs/dbraw/zinc/82/71/26/656827126.db2.gz JPKUEFSZLVACFT-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN COC(=O)[C@H](NS(=O)(=O)N1CCNCC1)C(C)C ZINC000035061686 656827632 /nfs/dbraw/zinc/82/76/32/656827632.db2.gz ZGGKWALYUMZYOX-SECBINFHSA-N 0 3 279.362 -1.076 20 0 CAADHN COCCN(CCO)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929488115 656831177 /nfs/dbraw/zinc/83/11/77/656831177.db2.gz RCZWFKDOPGWFSK-RYUDHWBXSA-N 0 3 263.334 -1.171 20 0 CAADHN COCCN(CCO)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929488112 656831337 /nfs/dbraw/zinc/83/13/37/656831337.db2.gz RCZWFKDOPGWFSK-NEPJUHHUSA-N 0 3 263.334 -1.171 20 0 CAADHN COCCN(CCO)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929488114 656831825 /nfs/dbraw/zinc/83/18/25/656831825.db2.gz RCZWFKDOPGWFSK-NWDGAFQWSA-N 0 3 263.334 -1.171 20 0 CAADHN C[C@@H](O)[C@H](O)CN(CCO)CCN1CCOCC1 ZINC000929781093 656832439 /nfs/dbraw/zinc/83/24/39/656832439.db2.gz OJVZDJQUSQQZKH-VXGBXAGGSA-N 0 3 262.350 -1.645 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)C[C@H](O)C1(O)CCC1 ZINC000929813732 656832591 /nfs/dbraw/zinc/83/25/91/656832591.db2.gz QNAPTKQJRIRHRD-STQMWFEESA-N 0 3 288.388 -1.113 20 0 CAADHN C[C@H](O)[C@H](O)CN(CCO)CCN1CCOCC1 ZINC000929781086 656833054 /nfs/dbraw/zinc/83/30/54/656833054.db2.gz OJVZDJQUSQQZKH-NWDGAFQWSA-N 0 3 262.350 -1.645 20 0 CAADHN CN(C[C@H](O)C1(O)CCOCC1)CC(C)(CO)CO ZINC000929857696 656833532 /nfs/dbraw/zinc/83/35/32/656833532.db2.gz VFGCJWNRBKDYQM-NSHDSACASA-N 0 3 277.361 -1.189 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000929875997 656834203 /nfs/dbraw/zinc/83/42/03/656834203.db2.gz DTQDOWWYRFNZIR-GARJFASQSA-N 0 3 280.390 -1.011 20 0 CAADHN CC[C@H](CO)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000929984424 656834314 /nfs/dbraw/zinc/83/43/14/656834314.db2.gz SKFAXEFJWJIGPX-WOPDTQHZSA-N 0 3 292.401 -1.155 20 0 CAADHN Cc1nc(CN2CCN(C[C@@H](O)CO)CC2)n[nH]1 ZINC000930073121 656836067 /nfs/dbraw/zinc/83/60/67/656836067.db2.gz JUYKMZLKRNATQW-SNVBAGLBSA-N 0 3 255.322 -1.416 20 0 CAADHN Cc1nc(CN2CCN(C[C@H](O)[C@H](C)O)CC2)n[nH]1 ZINC000930072409 656836542 /nfs/dbraw/zinc/83/65/42/656836542.db2.gz CNDJAAPVJWSJDX-ONGXEEELSA-N 0 3 269.349 -1.028 20 0 CAADHN C[C@@H](O)[C@H](O)CN1[C@H](C)CN(C[C@@H](O)[C@H](C)O)C[C@@H]1C ZINC000930264004 656837275 /nfs/dbraw/zinc/83/72/75/656837275.db2.gz LCVJSPFSVBKHJW-XADZXUCXSA-N 0 3 290.404 -1.136 20 0 CAADHN C[C@H](O)[C@H](O)CN1C[C@@H](C)N(C[C@@H](O)[C@H](C)O)[C@@H](C)C1 ZINC000930264007 656837551 /nfs/dbraw/zinc/83/75/51/656837551.db2.gz LCVJSPFSVBKHJW-XNBXPENISA-N 0 3 290.404 -1.136 20 0 CAADHN COC(=O)CCN1CCN(C[C@H](O)CO)[C@@H](C)C1 ZINC000930237383 656837830 /nfs/dbraw/zinc/83/78/30/656837830.db2.gz SXCLXADMKWTRQU-QWRGUYRKSA-N 0 3 260.334 -1.091 20 0 CAADHN CCOC(=O)[C@H]1CN(C[C@@H](O)CO)CC12COC2 ZINC000930597833 656839829 /nfs/dbraw/zinc/83/98/29/656839829.db2.gz MXKSHMZAEGSFBF-NXEZZACHSA-N 0 3 259.302 -1.149 20 0 CAADHN CCOC(=O)[C@@H]1CN(C[C@@H](O)CO)CC12COC2 ZINC000930597836 656840042 /nfs/dbraw/zinc/84/00/42/656840042.db2.gz MXKSHMZAEGSFBF-ZJUUUORDSA-N 0 3 259.302 -1.149 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930705182 656840757 /nfs/dbraw/zinc/84/07/57/656840757.db2.gz RQISZEOBGDUCNV-YFKTTZPYSA-N 0 3 261.318 -1.108 20 0 CAADHN OCCOCCN(CCO)C[C@H](O)C1(O)CCC1 ZINC000930702731 656840795 /nfs/dbraw/zinc/84/07/95/656840795.db2.gz DHEQVZQAMWLQBJ-NSHDSACASA-N 0 3 263.334 -1.435 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC[C@@H](O)C[C@]1(O)CCOC1 ZINC000930705179 656841076 /nfs/dbraw/zinc/84/10/76/656841076.db2.gz RQISZEOBGDUCNV-NNYUYHANSA-N 0 3 261.318 -1.108 20 0 CAADHN OCCOCCN(CCO)C[C@H](O)C1(O)CCCC1 ZINC000930702963 656841321 /nfs/dbraw/zinc/84/13/21/656841321.db2.gz DXPPBFUYFACSAS-LBPRGKRZSA-N 0 3 277.361 -1.044 20 0 CAADHN CC1(C(N)=O)CN(C[C@H](O)C2(O)CCOCC2)C1 ZINC000930808482 656841720 /nfs/dbraw/zinc/84/17/20/656841720.db2.gz ARVCLRRDOKCWJQ-VIFPVBQESA-N 0 3 258.318 -1.304 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCN(Cc2nnc[nH]2)CC1 ZINC000930859378 656841867 /nfs/dbraw/zinc/84/18/67/656841867.db2.gz OOLXAANXKBLKFY-VHSXEESVSA-N 0 3 255.322 -1.336 20 0 CAADHN CON1CC[C@H](N2CCN(CCN(C)C)C(=O)C2)C1=O ZINC000930851200 656841925 /nfs/dbraw/zinc/84/19/25/656841925.db2.gz XYKHSNJFIXYFKV-NSHDSACASA-N 0 3 284.360 -1.146 20 0 CAADHN C[C@@H](O)[C@H](O)CN1CCN(Cc2nnc[nH]2)CC1 ZINC000930859376 656842049 /nfs/dbraw/zinc/84/20/49/656842049.db2.gz OOLXAANXKBLKFY-NXEZZACHSA-N 0 3 255.322 -1.336 20 0 CAADHN CON1CC[C@@H](N2CCN(CCN(C)C)C(=O)C2)C1=O ZINC000930851199 656842146 /nfs/dbraw/zinc/84/21/46/656842146.db2.gz XYKHSNJFIXYFKV-LLVKDONJSA-N 0 3 284.360 -1.146 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000930847416 656842151 /nfs/dbraw/zinc/84/21/51/656842151.db2.gz HKOUJJWDHIVOEH-WDEREUQCSA-N 0 3 259.350 -1.566 20 0 CAADHN C[C@@H](O)[C@@H](O)CN1CCN(Cc2nnc[nH]2)CC1 ZINC000930859379 656842307 /nfs/dbraw/zinc/84/23/07/656842307.db2.gz OOLXAANXKBLKFY-ZJUUUORDSA-N 0 3 255.322 -1.336 20 0 CAADHN CN(C)CCN1CCN(C[C@H](O)C2(O)CCC2)CC1=O ZINC000930850872 656842559 /nfs/dbraw/zinc/84/25/59/656842559.db2.gz VGVNMMRSCABTNU-LBPRGKRZSA-N 0 3 285.388 -1.032 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN(C[C@H](O)[C@@H](C)O)C1 ZINC000931338429 656845247 /nfs/dbraw/zinc/84/52/47/656845247.db2.gz QSTZCMYOQWMAPP-MXWKQRLJSA-N 0 3 280.390 -1.011 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN(C[C@H](O)[C@H](C)O)C1 ZINC000931338419 656846005 /nfs/dbraw/zinc/84/60/05/656846005.db2.gz QSTZCMYOQWMAPP-AXFHLTTASA-N 0 3 280.390 -1.011 20 0 CAADHN COC(=O)[C@](C)(O)CN1CCC(OC)(OC)[C@@H](O)C1 ZINC000931633167 656847173 /nfs/dbraw/zinc/84/71/73/656847173.db2.gz GNTMBKZXVNCMAM-GXSJLCMTSA-N 0 3 277.317 -1.034 20 0 CAADHN COC(=O)[C@]1(O)CCN(C[C@@H](O)C2(O)CCC2)C1 ZINC000931709292 656847887 /nfs/dbraw/zinc/84/78/87/656847887.db2.gz JROOKWHMVYFBPZ-SKDRFNHKSA-N 0 3 259.302 -1.128 20 0 CAADHN COC(=O)[C@@]1(O)CCN(C[C@H](O)C2(O)CCC2)C1 ZINC000931709291 656848233 /nfs/dbraw/zinc/84/82/33/656848233.db2.gz JROOKWHMVYFBPZ-JOYOIKCWSA-N 0 3 259.302 -1.128 20 0 CAADHN COC(=O)[C@]1(O)CCN(C[C@H](O)C2(O)CCC2)C1 ZINC000931709290 656848733 /nfs/dbraw/zinc/84/87/33/656848733.db2.gz JROOKWHMVYFBPZ-CABZTGNLSA-N 0 3 259.302 -1.128 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CCN1C ZINC000931877390 656850524 /nfs/dbraw/zinc/85/05/24/656850524.db2.gz HVLBESAVLHZHMO-SNVBAGLBSA-N 0 3 256.350 -1.173 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000932393661 656854113 /nfs/dbraw/zinc/85/41/13/656854113.db2.gz DOCMKXCFPIDCHZ-WOPDTQHZSA-N 0 3 299.371 -1.074 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1nnn(C)n1 ZINC000932253660 656854697 /nfs/dbraw/zinc/85/46/97/656854697.db2.gz MICOUXKGMGOXFV-MRVPVSSYSA-N 0 3 296.335 -1.206 20 0 CAADHN CC1(C)CCN(CCNC(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000933845663 656859162 /nfs/dbraw/zinc/85/91/62/656859162.db2.gz SOELPFHDQHMXCZ-UHFFFAOYSA-N 0 3 296.371 -1.207 20 0 CAADHN NC(=O)[C@]12CCC[C@H]1CN(CC(=O)N1CCNC(=O)C1)C2 ZINC000933761919 656859356 /nfs/dbraw/zinc/85/93/56/656859356.db2.gz PLZDQTZZLMECPD-HZMBPMFUSA-N 0 3 294.355 -1.468 20 0 CAADHN CNC(=O)NC(=O)CN1CC[C@H]2[C@H]1CCCN2CCO ZINC000934251146 656860050 /nfs/dbraw/zinc/86/00/50/656860050.db2.gz AJZPZLCEXREULP-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN CNC(=O)NC(=O)CN1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934251148 656860374 /nfs/dbraw/zinc/86/03/74/656860374.db2.gz AJZPZLCEXREULP-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CSCC(=O)N1 ZINC000935429701 656863459 /nfs/dbraw/zinc/86/34/59/656863459.db2.gz DXGSFKXOJMCVIL-VIFPVBQESA-N 0 3 275.374 -1.352 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000935986883 656865922 /nfs/dbraw/zinc/86/59/22/656865922.db2.gz WRXIYDDJCDKVTL-OLZOCXBDSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C[C@H]1CC(=O)NC1=O ZINC000935981624 656865998 /nfs/dbraw/zinc/86/59/98/656865998.db2.gz SHLBFCDTSYOWEC-JGVFFNPUSA-N 0 3 257.290 -1.922 20 0 CAADHN C[C@@H](NS(=O)(=O)N1CCNCC1)c1nncn1C ZINC000040860945 656866017 /nfs/dbraw/zinc/86/60/17/656866017.db2.gz ITFBCXVRKUZVEA-MRVPVSSYSA-N 0 3 274.350 -1.384 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CSCC(=O)N1 ZINC000935986739 656866038 /nfs/dbraw/zinc/86/60/38/656866038.db2.gz VTTIRPYTDBVPDO-UWVGGRQHSA-N 0 3 287.385 -1.209 20 0 CAADHN CNC(=O)[C@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000040860444 656866156 /nfs/dbraw/zinc/86/61/56/656866156.db2.gz RCMFPIBMRFRDKC-SNVBAGLBSA-N 0 3 290.389 -1.263 20 0 CAADHN C[C@@H](CN1CCOCC1)NS(=O)(=O)N1CCNCC1 ZINC000040860676 656866165 /nfs/dbraw/zinc/86/61/65/656866165.db2.gz NYLCGTUNLBIPLT-NSHDSACASA-N 0 3 292.405 -1.553 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N[C@@H](CO)CN(C)C)C1 ZINC000935980946 656866295 /nfs/dbraw/zinc/86/62/95/656866295.db2.gz MUKMODURFPQUPS-MNOVXSKESA-N 0 3 273.333 -1.728 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000935986885 656866405 /nfs/dbraw/zinc/86/64/05/656866405.db2.gz WRXIYDDJCDKVTL-QWHCGFSZSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H](CO)CN1CCCC1 ZINC000935983898 656866409 /nfs/dbraw/zinc/86/64/09/656866409.db2.gz FNOQBEXLKCRWFN-NXEZZACHSA-N 0 3 283.328 -1.388 20 0 CAADHN COCCOCCCNS(=O)(=O)N1CCNCC1 ZINC000040860463 656866445 /nfs/dbraw/zinc/86/64/45/656866445.db2.gz QNDVITBRMUQLKF-UHFFFAOYSA-N 0 3 281.378 -1.221 20 0 CAADHN CNC(=O)[C@@H]1CCCCN1S(=O)(=O)N1CCNCC1 ZINC000040860442 656866469 /nfs/dbraw/zinc/86/64/69/656866469.db2.gz RCMFPIBMRFRDKC-JTQLQIEISA-N 0 3 290.389 -1.263 20 0 CAADHN CCn1cc(CC(=O)N[C@@H](CO)CN(C)C)nn1 ZINC000935981619 656866785 /nfs/dbraw/zinc/86/67/85/656866785.db2.gz SGLUCQZYDQXBJR-SNVBAGLBSA-N 0 3 255.322 -1.121 20 0 CAADHN CC(=O)N1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC000215177400 656867242 /nfs/dbraw/zinc/86/72/42/656867242.db2.gz ZVJASOXROXGGNI-LLVKDONJSA-N 0 3 254.334 -1.419 20 0 CAADHN C[C@H]1C[C@H](NC(=O)c2nnn(C)n2)CCN1CCO ZINC000947629744 656869326 /nfs/dbraw/zinc/86/93/26/656869326.db2.gz PAAYPCQJWUKERC-DTWKUNHWSA-N 0 3 268.321 -1.215 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)c2ncn[nH]2)CCN1CC(N)=O ZINC000947828869 656869718 /nfs/dbraw/zinc/86/97/18/656869718.db2.gz JNGYLWUKTMZVRY-YUMQZZPRSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)CCN1CC(N)=O ZINC000947828869 656869719 /nfs/dbraw/zinc/86/97/19/656869719.db2.gz JNGYLWUKTMZVRY-YUMQZZPRSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@H]1C[C@H](NC(=O)Cc2nnc[nH]2)CCN1CC(N)=O ZINC000947907778 656870457 /nfs/dbraw/zinc/87/04/57/656870457.db2.gz KJFCPVJROKAOIA-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)[C@@H]1CCCNC1=O ZINC001017199648 656878088 /nfs/dbraw/zinc/87/80/88/656878088.db2.gz KPMRNTZLLZAVPH-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)[C@H]1CCCNC1=O ZINC001017199640 656878295 /nfs/dbraw/zinc/87/82/95/656878295.db2.gz KPMRNTZLLZAVPH-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000951855770 656891934 /nfs/dbraw/zinc/89/19/34/656891934.db2.gz CSDXFCCBAKUCMN-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000951853946 656892051 /nfs/dbraw/zinc/89/20/51/656892051.db2.gz MFKZATYFWGHALJ-SECBINFHSA-N 0 3 293.327 -1.147 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CCC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000952034904 656893415 /nfs/dbraw/zinc/89/34/15/656893415.db2.gz RYHQNHFTWDQKNK-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000952034902 656893789 /nfs/dbraw/zinc/89/37/89/656893789.db2.gz RYHQNHFTWDQKNK-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)CC(N)=O)C2)C1 ZINC000955344316 656901446 /nfs/dbraw/zinc/90/14/46/656901446.db2.gz MFNHRJJEJOARRT-SNVBAGLBSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)CC(N)=O)C2)C1 ZINC000955344315 656901963 /nfs/dbraw/zinc/90/19/63/656901963.db2.gz MFNHRJJEJOARRT-JTQLQIEISA-N 0 3 296.371 -1.127 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)C1=COCCO1 ZINC000957842727 656924463 /nfs/dbraw/zinc/92/44/63/656924463.db2.gz NQQRTCQPZPXWKO-ZJUUUORDSA-N 0 3 272.301 -1.724 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)C1CCOCC1 ZINC000957792686 656925831 /nfs/dbraw/zinc/92/58/31/656925831.db2.gz FCLANMGMNQWCSO-NWDGAFQWSA-N 0 3 272.345 -1.186 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cnccn1 ZINC000957838550 656926622 /nfs/dbraw/zinc/92/66/22/656926622.db2.gz PVWJSWRAJCTCSK-GXSJLCMTSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)C1CCOCC1 ZINC000957792687 656926893 /nfs/dbraw/zinc/92/68/93/656926893.db2.gz FCLANMGMNQWCSO-RYUDHWBXSA-N 0 3 272.345 -1.186 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cnccn1 ZINC000957838553 656927106 /nfs/dbraw/zinc/92/71/06/656927106.db2.gz PVWJSWRAJCTCSK-ONGXEEELSA-N 0 3 266.301 -1.509 20 0 CAADHN Cc1c(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cnn1C ZINC000957878250 656928114 /nfs/dbraw/zinc/92/81/14/656928114.db2.gz JGVNZTDXMLOQAJ-JQWIXIFHSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC000957847386 656928566 /nfs/dbraw/zinc/92/85/66/656928566.db2.gz QHIJLUJNMDBPEG-NWDGAFQWSA-N 0 3 281.312 -1.665 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC000957847212 656928588 /nfs/dbraw/zinc/92/85/88/656928588.db2.gz OEMJBNIHCLVRPC-WCBMZHEXSA-N 0 3 282.300 -1.803 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)no1 ZINC000957846604 656928787 /nfs/dbraw/zinc/92/87/87/656928787.db2.gz IJBBVYBKKJILRY-MWLCHTKSSA-N 0 3 269.301 -1.002 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)C1=COCCO1 ZINC000957842724 656929160 /nfs/dbraw/zinc/92/91/60/656929160.db2.gz NQQRTCQPZPXWKO-NXEZZACHSA-N 0 3 272.301 -1.724 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC000957847210 656929326 /nfs/dbraw/zinc/92/93/26/656929326.db2.gz OEMJBNIHCLVRPC-PSASIEDQSA-N 0 3 282.300 -1.803 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)on1 ZINC000957859906 656929440 /nfs/dbraw/zinc/92/94/40/656929440.db2.gz WQZACDZBPRFQIH-UWVGGRQHSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1c(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cnn1C ZINC000957878252 656929526 /nfs/dbraw/zinc/92/95/26/656929526.db2.gz JGVNZTDXMLOQAJ-ZYHUDNBSSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cc[n+]([O-])cc1 ZINC000957847387 656929818 /nfs/dbraw/zinc/92/98/18/656929818.db2.gz QHIJLUJNMDBPEG-RYUDHWBXSA-N 0 3 281.312 -1.665 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cnsn1 ZINC000957901789 656930236 /nfs/dbraw/zinc/93/02/36/656930236.db2.gz HQDRRZBHOPKTJQ-VXNVDRBHSA-N 0 3 272.330 -1.447 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)nn1C ZINC000957889633 656930277 /nfs/dbraw/zinc/93/02/77/656930277.db2.gz BWOKOPQKSDKKHT-JQWIXIFHSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@@H]1CN(CCCO)C[C@@H]1O)c1cnns1 ZINC000957887436 656930596 /nfs/dbraw/zinc/93/05/96/656930596.db2.gz YBQXCJHQSAHAPQ-BDAKNGLRSA-N 0 3 286.357 -1.057 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000957890168 656930768 /nfs/dbraw/zinc/93/07/68/656930768.db2.gz JKALWILKABCNII-VHSXEESVSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000957890166 656930870 /nfs/dbraw/zinc/93/08/70/656930870.db2.gz JKALWILKABCNII-NXEZZACHSA-N 0 3 269.301 -1.002 20 0 CAADHN O=C(NC[C@@H]1CN(CCCO)C[C@@H]1O)c1cnsn1 ZINC000957901959 656931291 /nfs/dbraw/zinc/93/12/91/656931291.db2.gz KBDZASNZASQCCX-SCZZXKLOSA-N 0 3 286.357 -1.057 20 0 CAADHN O=C(NC[C@H]1CN(CCCO)C[C@H]1O)c1cnsn1 ZINC000957901960 656932250 /nfs/dbraw/zinc/93/22/50/656932250.db2.gz KBDZASNZASQCCX-WCBMZHEXSA-N 0 3 286.357 -1.057 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1ccon1 ZINC000957902121 656932418 /nfs/dbraw/zinc/93/24/18/656932418.db2.gz MOVJGBYKMYVQRN-WPRPVWTQSA-N 0 3 255.274 -1.311 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)[nH]n1 ZINC000957910416 656933540 /nfs/dbraw/zinc/93/35/40/656933540.db2.gz KKCQGINSDWAITD-GXSJLCMTSA-N 0 3 268.317 -1.267 20 0 CAADHN Cc1ncc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)[nH]1 ZINC000957930275 656933944 /nfs/dbraw/zinc/93/39/44/656933944.db2.gz FFKUUZAFSVOFEG-ONGXEEELSA-N 0 3 268.317 -1.267 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)[nH]n1 ZINC000957910443 656934355 /nfs/dbraw/zinc/93/43/55/656934355.db2.gz KKCQGINSDWAITD-KOLCDFICSA-N 0 3 268.317 -1.267 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)[nH]1 ZINC000957930274 656934660 /nfs/dbraw/zinc/93/46/60/656934660.db2.gz FFKUUZAFSVOFEG-MWLCHTKSSA-N 0 3 268.317 -1.267 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)[nH]1 ZINC000957930273 656934832 /nfs/dbraw/zinc/93/48/32/656934832.db2.gz FFKUUZAFSVOFEG-KOLCDFICSA-N 0 3 268.317 -1.267 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n(C)n1 ZINC000957915166 656934897 /nfs/dbraw/zinc/93/48/97/656934897.db2.gz RQZFQWZRHHFPOE-JQWIXIFHSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cocn1 ZINC000957915824 656935166 /nfs/dbraw/zinc/93/51/66/656935166.db2.gz YRFWTYCNVDRMFS-WPRPVWTQSA-N 0 3 255.274 -1.311 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n(C)n1 ZINC000957915165 656935320 /nfs/dbraw/zinc/93/53/20/656935320.db2.gz RQZFQWZRHHFPOE-CMPLNLGQSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC000957960418 656935777 /nfs/dbraw/zinc/93/57/77/656935777.db2.gz DWIOOCIUUWBAQI-ONGXEEELSA-N 0 3 281.312 -1.198 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000957936583 656935872 /nfs/dbraw/zinc/93/58/72/656935872.db2.gz XIQJDLCUBAETMV-PWSUYJOCSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cc[nH]c(=O)c1 ZINC000957956704 656936049 /nfs/dbraw/zinc/93/60/49/656936049.db2.gz FVYNZZMMPSTBAV-MNOVXSKESA-N 0 3 281.312 -1.198 20 0 CAADHN Cc1c(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)nnn1C ZINC000957953224 656936083 /nfs/dbraw/zinc/93/60/83/656936083.db2.gz KCVOWSYGSXQLIX-NXEZZACHSA-N 0 3 283.332 -1.862 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC000957960416 656936383 /nfs/dbraw/zinc/93/63/83/656936383.db2.gz DWIOOCIUUWBAQI-KOLCDFICSA-N 0 3 281.312 -1.198 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cc[nH]c(=O)c1 ZINC000957956702 656936956 /nfs/dbraw/zinc/93/69/56/656936956.db2.gz FVYNZZMMPSTBAV-GHMZBOCLSA-N 0 3 281.312 -1.198 20 0 CAADHN Nc1nccnc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000957939593 656937136 /nfs/dbraw/zinc/93/71/36/656937136.db2.gz LFJYDGNCWFLDJV-RKDXNWHRSA-N 0 3 281.316 -1.926 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)ncn1 ZINC000957987689 656938748 /nfs/dbraw/zinc/93/87/48/656938748.db2.gz XVNYEGVJCIYCPU-JQWIXIFHSA-N 0 3 280.328 -1.200 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)ncn1 ZINC000957987686 656939111 /nfs/dbraw/zinc/93/91/11/656939111.db2.gz XVNYEGVJCIYCPU-CMPLNLGQSA-N 0 3 280.328 -1.200 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cnn1 ZINC000957992103 656940201 /nfs/dbraw/zinc/94/02/01/656940201.db2.gz VKJXJLDUWWOKEQ-RYUDHWBXSA-N 0 3 280.328 -1.200 20 0 CAADHN Cn1ncc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)c1N ZINC000957995131 656940760 /nfs/dbraw/zinc/94/07/60/656940760.db2.gz LCWBMOSEXUSXJM-WPRPVWTQSA-N 0 3 283.332 -1.983 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cncnc1 ZINC000957989682 656941190 /nfs/dbraw/zinc/94/11/90/656941190.db2.gz HJAIUOBMWUVDKH-MNOVXSKESA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cncnc1 ZINC000957989681 656941510 /nfs/dbraw/zinc/94/15/10/656941510.db2.gz HJAIUOBMWUVDKH-GHMZBOCLSA-N 0 3 266.301 -1.509 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cnn1 ZINC000957992101 656941860 /nfs/dbraw/zinc/94/18/60/656941860.db2.gz VKJXJLDUWWOKEQ-NWDGAFQWSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1ncc[nH]1 ZINC000958056527 656942514 /nfs/dbraw/zinc/94/25/14/656942514.db2.gz OUVXKEANPVMJKT-IUCAKERBSA-N 0 3 254.290 -1.576 20 0 CAADHN Cn1cnc(C(=O)NC[C@H]2CN(CCCO)C[C@H]2O)n1 ZINC000958025025 656942619 /nfs/dbraw/zinc/94/26/19/656942619.db2.gz MHKALIZIZANDQG-VHSXEESVSA-N 0 3 283.332 -1.780 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)nn1 ZINC000958036766 656943361 /nfs/dbraw/zinc/94/33/61/656943361.db2.gz UDTHXKQEOYGMLP-PSASIEDQSA-N 0 3 269.305 -2.170 20 0 CAADHN Cn1nncc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958036902 656943730 /nfs/dbraw/zinc/94/37/30/656943730.db2.gz WOBRCTSTKRVWQQ-PSASIEDQSA-N 0 3 269.305 -2.170 20 0 CAADHN Cn1cnc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958025497 656944660 /nfs/dbraw/zinc/94/46/60/656944660.db2.gz SYHHSWHLSXHUGZ-IUCAKERBSA-N 0 3 269.305 -2.170 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958063577 656945385 /nfs/dbraw/zinc/94/53/85/656945385.db2.gz NVYPDABHPAVOAL-MNOVXSKESA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cc2n(n1)CCC2 ZINC000958126051 656945456 /nfs/dbraw/zinc/94/54/56/656945456.db2.gz GUNFGALKDRQKDY-MFKMUULPSA-N 0 3 294.355 -1.156 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cnc2n1CCC2 ZINC000958149655 656945478 /nfs/dbraw/zinc/94/54/78/656945478.db2.gz VAUBUBYFZJFEBV-PWSUYJOCSA-N 0 3 294.355 -1.156 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cnc2n1CCC2 ZINC000958149656 656945865 /nfs/dbraw/zinc/94/58/65/656945865.db2.gz VAUBUBYFZJFEBV-ZYHUDNBSSA-N 0 3 294.355 -1.156 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cc1=O ZINC000958149778 656946162 /nfs/dbraw/zinc/94/61/62/656946162.db2.gz WMRANOGVKPGXHU-MWLCHTKSSA-N 0 3 296.327 -2.205 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cnn2c1CCC2 ZINC000958122372 656946685 /nfs/dbraw/zinc/94/66/85/656946685.db2.gz UYDLTLIQWNVRAU-ZWNOBZJWSA-N 0 3 294.355 -1.156 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958161577 656947703 /nfs/dbraw/zinc/94/77/03/656947703.db2.gz LENXYULYYBUVDX-GHMZBOCLSA-N 0 3 282.344 -1.257 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958165335 656948090 /nfs/dbraw/zinc/94/80/90/656948090.db2.gz UTNPFZPABWTDAE-BDAKNGLRSA-N 0 3 284.316 -1.561 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC000958160832 656948226 /nfs/dbraw/zinc/94/82/26/656948226.db2.gz FFGUHNJCZUXQJX-VHSXEESVSA-N 0 3 282.300 -1.803 20 0 CAADHN O=C(NC[C@@H]1C[N@H+](CCO)C[C@@H]1O)c1cnc[n-]c1=O ZINC000958172374 656948279 /nfs/dbraw/zinc/94/82/79/656948279.db2.gz TUHZVPMILYVWDK-SCZZXKLOSA-N 0 3 282.300 -1.803 20 0 CAADHN O=C(NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc[n-]c1=O ZINC000958172374 656948290 /nfs/dbraw/zinc/94/82/90/656948290.db2.gz TUHZVPMILYVWDK-SCZZXKLOSA-N 0 3 282.300 -1.803 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958165336 656948391 /nfs/dbraw/zinc/94/83/91/656948391.db2.gz UTNPFZPABWTDAE-DTWKUNHWSA-N 0 3 284.316 -1.561 20 0 CAADHN O=C(NC[C@@H]1C[N@H+](CCCO)C[C@H]1O)c1cnc[n-]c1=O ZINC000958172427 656948756 /nfs/dbraw/zinc/94/87/56/656948756.db2.gz UVBMCKSJFXWOCV-MWLCHTKSSA-N 0 3 296.327 -1.413 20 0 CAADHN O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@H]1O)c1cnc[n-]c1=O ZINC000958172427 656948760 /nfs/dbraw/zinc/94/87/60/656948760.db2.gz UVBMCKSJFXWOCV-MWLCHTKSSA-N 0 3 296.327 -1.413 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cc1=O ZINC000958183206 656949136 /nfs/dbraw/zinc/94/91/36/656949136.db2.gz MMYNDAHJKLUPKH-NEPJUHHUSA-N 0 3 295.339 -1.600 20 0 CAADHN Cc1nnccc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958224620 656949648 /nfs/dbraw/zinc/94/96/48/656949648.db2.gz XIIWMDHXWNXEKX-JQWIXIFHSA-N 0 3 280.328 -1.200 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)ccc1=O ZINC000958203892 656950074 /nfs/dbraw/zinc/95/00/74/656950074.db2.gz VMMQVPSXWQQCRH-VXGBXAGGSA-N 0 3 295.339 -1.600 20 0 CAADHN Cn1cncc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958228625 656950647 /nfs/dbraw/zinc/95/06/47/656950647.db2.gz QQCHUJAMDCBELF-KOLCDFICSA-N 0 3 268.317 -1.565 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)o1 ZINC000958240017 656950793 /nfs/dbraw/zinc/95/07/93/656950793.db2.gz XEFTVKMEGGQXOF-RKDXNWHRSA-N 0 3 297.311 -1.607 20 0 CAADHN Cc1nnccc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958224619 656951514 /nfs/dbraw/zinc/95/15/14/656951514.db2.gz XIIWMDHXWNXEKX-CMPLNLGQSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(Cn1cccn1)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000958237359 656951559 /nfs/dbraw/zinc/95/15/59/656951559.db2.gz MHFPKPKTOMHTNO-SRRSOLGSSA-N 0 3 289.339 -1.182 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)ccc1=O ZINC000958203890 656951849 /nfs/dbraw/zinc/95/18/49/656951849.db2.gz VMMQVPSXWQQCRH-NWDGAFQWSA-N 0 3 295.339 -1.600 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)co1 ZINC000958282067 656952452 /nfs/dbraw/zinc/95/24/52/656952452.db2.gz UVIWZIMBXFIXRP-UWVGGRQHSA-N 0 3 297.311 -1.607 20 0 CAADHN COc1nccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958249618 656952479 /nfs/dbraw/zinc/95/24/79/656952479.db2.gz VYNLUBVYYNGGHX-KOLCDFICSA-N 0 3 296.327 -1.500 20 0 CAADHN COc1nc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)co1 ZINC000958283890 656952898 /nfs/dbraw/zinc/95/28/98/656952898.db2.gz SBJDXNBVYHFVQF-WCBMZHEXSA-N 0 3 285.300 -1.302 20 0 CAADHN COc1nccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958249619 656953582 /nfs/dbraw/zinc/95/35/82/656953582.db2.gz VYNLUBVYYNGGHX-MWLCHTKSSA-N 0 3 296.327 -1.500 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1csnn1 ZINC000958289434 656953810 /nfs/dbraw/zinc/95/38/10/656953810.db2.gz VPFQSDKHDJIIQA-CBAPKCEASA-N 0 3 272.330 -1.447 20 0 CAADHN COc1nccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958249617 656954069 /nfs/dbraw/zinc/95/40/69/656954069.db2.gz VYNLUBVYYNGGHX-GXSJLCMTSA-N 0 3 296.327 -1.500 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1COCCO1 ZINC000958292950 656954203 /nfs/dbraw/zinc/95/42/03/656954203.db2.gz PQESFPYRDCHXEC-YTWAJWBKSA-N 0 3 256.302 -1.560 20 0 CAADHN O=C(NC[C@@H]1CN(CCCO)C[C@H]1O)c1csnn1 ZINC000958289401 656954368 /nfs/dbraw/zinc/95/43/68/656954368.db2.gz VCVQIPTYYFOCOE-PSASIEDQSA-N 0 3 286.357 -1.057 20 0 CAADHN COc1nc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)co1 ZINC000958283891 656954388 /nfs/dbraw/zinc/95/43/88/656954388.db2.gz SBJDXNBVYHFVQF-WPRPVWTQSA-N 0 3 285.300 -1.302 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)c1ccn[nH]1 ZINC000958298074 656955049 /nfs/dbraw/zinc/95/50/49/656955049.db2.gz OWBFEVFQFZTPRF-MKHNBGRSSA-N 0 3 275.312 -1.042 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cnco1 ZINC000958300391 656955519 /nfs/dbraw/zinc/95/55/19/656955519.db2.gz PQJSJWIGHLYNAF-IUCAKERBSA-N 0 3 255.274 -1.311 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC000958309207 656955538 /nfs/dbraw/zinc/95/55/38/656955538.db2.gz IILPZSDHVLYBON-MWLCHTKSSA-N 0 3 298.343 -1.205 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958309167 656955937 /nfs/dbraw/zinc/95/59/37/656955937.db2.gz HVMDKLWWDNIYFG-MWLCHTKSSA-N 0 3 268.317 -1.267 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958309165 656956053 /nfs/dbraw/zinc/95/60/53/656956053.db2.gz HVMDKLWWDNIYFG-GXSJLCMTSA-N 0 3 268.317 -1.267 20 0 CAADHN Cn1c(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)c[nH]c1=O ZINC000958309403 656956289 /nfs/dbraw/zinc/95/62/89/656956289.db2.gz LFZOSPKAUNQPEG-WCBMZHEXSA-N 0 3 284.316 -1.860 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1csc(=O)[nH]1 ZINC000958333705 656959973 /nfs/dbraw/zinc/95/99/73/656959973.db2.gz JDZJLDPLZYNAOV-APPZFPTMSA-N 0 3 287.341 -1.137 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC000958344365 656961835 /nfs/dbraw/zinc/96/18/35/656961835.db2.gz GVOCSTIFONQDEX-UWVGGRQHSA-N 0 3 296.327 -1.495 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958344365 656961845 /nfs/dbraw/zinc/96/18/45/656961845.db2.gz GVOCSTIFONQDEX-UWVGGRQHSA-N 0 3 296.327 -1.495 20 0 CAADHN Cc1ncc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1C ZINC000958348997 656962692 /nfs/dbraw/zinc/96/26/92/656962692.db2.gz CNMNLRUZTCLAIP-CMPLNLGQSA-N 0 3 282.344 -1.257 20 0 CAADHN Cn1nccc1C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000958370352 656962749 /nfs/dbraw/zinc/96/27/49/656962749.db2.gz PAFYVNCZDOCLRV-DMWPJOQESA-N 0 3 289.339 -1.031 20 0 CAADHN Cn1nccc1C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000958370351 656963674 /nfs/dbraw/zinc/96/36/74/656963674.db2.gz PAFYVNCZDOCLRV-BSJXLVFVSA-N 0 3 289.339 -1.031 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC000958357721 656963935 /nfs/dbraw/zinc/96/39/35/656963935.db2.gz WSODNOPLUUEVOC-WCBMZHEXSA-N 0 3 282.300 -2.215 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC000958357719 656964012 /nfs/dbraw/zinc/96/40/12/656964012.db2.gz WSODNOPLUUEVOC-PSASIEDQSA-N 0 3 282.300 -2.215 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958370422 656964189 /nfs/dbraw/zinc/96/41/89/656964189.db2.gz PUIIGGJICYUOMK-KOLCDFICSA-N 0 3 269.301 -1.002 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)[nH]1 ZINC000958409597 656965268 /nfs/dbraw/zinc/96/52/68/656965268.db2.gz VFTFJOPEVOSBPB-KCJUWKMLSA-N 0 3 296.327 -1.872 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CCC(=O)N1 ZINC000958410453 656965355 /nfs/dbraw/zinc/96/53/55/656965355.db2.gz KAUBTITZEARVRD-LOKLDPHHSA-N 0 3 253.302 -1.696 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1ccnnc1 ZINC000958421864 656965958 /nfs/dbraw/zinc/96/59/58/656965958.db2.gz ASNNCCJKURVWRU-GHMZBOCLSA-N 0 3 266.301 -1.509 20 0 CAADHN NC(=O)c1coc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)c1 ZINC000958405837 656966041 /nfs/dbraw/zinc/96/60/41/656966041.db2.gz WOPOOZMVVDIXFA-NXEZZACHSA-N 0 3 297.311 -1.607 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)[nH]1 ZINC000958409596 656966075 /nfs/dbraw/zinc/96/60/75/656966075.db2.gz VFTFJOPEVOSBPB-GZMMTYOYSA-N 0 3 296.327 -1.872 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1ccnnc1 ZINC000958421867 656966268 /nfs/dbraw/zinc/96/62/68/656966268.db2.gz ASNNCCJKURVWRU-WDEREUQCSA-N 0 3 266.301 -1.509 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958472453 656966873 /nfs/dbraw/zinc/96/68/73/656966873.db2.gz UWIGAYLNIXIWJZ-ZJUUUORDSA-N 0 3 268.317 -1.267 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC000958476177 656967308 /nfs/dbraw/zinc/96/73/08/656967308.db2.gz GQZZOJQNVWWQRY-VHSXEESVSA-N 0 3 299.327 -2.560 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC000958476175 656967603 /nfs/dbraw/zinc/96/76/03/656967603.db2.gz GQZZOJQNVWWQRY-NXEZZACHSA-N 0 3 299.327 -2.560 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958481815 656967739 /nfs/dbraw/zinc/96/77/39/656967739.db2.gz SQQJFBSAUHRJOE-PSASIEDQSA-N 0 3 269.305 -2.170 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC000958476176 656968012 /nfs/dbraw/zinc/96/80/12/656968012.db2.gz GQZZOJQNVWWQRY-UWVGGRQHSA-N 0 3 299.327 -2.560 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cccnn1 ZINC000958518293 656968688 /nfs/dbraw/zinc/96/86/88/656968688.db2.gz AXJTZKPQBCVWCK-GXSJLCMTSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@H]1CN(CCCO)C[C@H]1O)c1cnon1 ZINC000958506558 656969436 /nfs/dbraw/zinc/96/94/36/656969436.db2.gz FPRLCVIUQRYNNK-WCBMZHEXSA-N 0 3 270.289 -1.526 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1ccncn1 ZINC000958506366 656969496 /nfs/dbraw/zinc/96/94/96/656969496.db2.gz DDSLOUUXFSVTRA-MWLCHTKSSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cccnn1 ZINC000958518294 656969576 /nfs/dbraw/zinc/96/95/76/656969576.db2.gz AXJTZKPQBCVWCK-KOLCDFICSA-N 0 3 266.301 -1.509 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958561977 656972964 /nfs/dbraw/zinc/97/29/64/656972964.db2.gz CRRIUKVGJLDECL-UWVGGRQHSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1conc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958569240 656973040 /nfs/dbraw/zinc/97/30/40/656973040.db2.gz FDMHFLDSUOFPFL-UWVGGRQHSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958561976 656974195 /nfs/dbraw/zinc/97/41/95/656974195.db2.gz CRRIUKVGJLDECL-NXEZZACHSA-N 0 3 269.301 -1.002 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)c1 ZINC000958526634 656974883 /nfs/dbraw/zinc/97/48/83/656974883.db2.gz ROMMMSXTYHSGIK-GXSJLCMTSA-N 0 3 296.327 -1.872 20 0 CAADHN Cc1conc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958569242 656975010 /nfs/dbraw/zinc/97/50/10/656975010.db2.gz FDMHFLDSUOFPFL-ZJUUUORDSA-N 0 3 269.301 -1.002 20 0 CAADHN C[C@H](C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)n1cncn1 ZINC000958611248 656975689 /nfs/dbraw/zinc/97/56/89/656975689.db2.gz ICEMFRVFZQIGTB-ZNSHCXBVSA-N 0 3 265.317 -1.122 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cnn2cc[nH]c12 ZINC000958617449 656975837 /nfs/dbraw/zinc/97/58/37/656975837.db2.gz CXNNLENZCRPAOA-ONGXEEELSA-N 0 3 293.327 -1.323 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cnn2cc[nH]c12 ZINC000958617446 656976202 /nfs/dbraw/zinc/97/62/02/656976202.db2.gz CXNNLENZCRPAOA-KOLCDFICSA-N 0 3 293.327 -1.323 20 0 CAADHN Cn1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958676888 656976944 /nfs/dbraw/zinc/97/69/44/656976944.db2.gz IBKOJUQFUKYITL-GXSJLCMTSA-N 0 3 268.317 -1.565 20 0 CAADHN Cn1nc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)ccc1=O ZINC000958650260 656977113 /nfs/dbraw/zinc/97/71/13/656977113.db2.gz UWFYIQQNEYYJCN-KOLCDFICSA-N 0 3 296.327 -2.205 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1ccc(=O)[nH]c1 ZINC000958644360 656977186 /nfs/dbraw/zinc/97/71/86/656977186.db2.gz JFMNLAYHUSWHME-GHMZBOCLSA-N 0 3 281.312 -1.198 20 0 CAADHN COc1c(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cnn1C ZINC000958626708 656977202 /nfs/dbraw/zinc/97/72/02/656977202.db2.gz QBDOQEMGJPZRRJ-GXSJLCMTSA-N 0 3 298.343 -1.557 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958626004 656977281 /nfs/dbraw/zinc/97/72/81/656977281.db2.gz OWAQINIKGCEQKJ-MBTKJCJQSA-N 0 3 267.289 -1.978 20 0 CAADHN Cc1nccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958697422 656978193 /nfs/dbraw/zinc/97/81/93/656978193.db2.gz QGWVWTPICPSQBP-JQWIXIFHSA-N 0 3 280.328 -1.200 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958676902 656978295 /nfs/dbraw/zinc/97/82/95/656978295.db2.gz IBKOJUQFUKYITL-MWLCHTKSSA-N 0 3 268.317 -1.565 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1COC(=O)N1 ZINC000958742071 656978842 /nfs/dbraw/zinc/97/88/42/656978842.db2.gz NXJOWJIQHTUQDI-UYXSQOIJSA-N 0 3 255.274 -1.867 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)c[nH]1 ZINC000958685007 656979189 /nfs/dbraw/zinc/97/91/89/656979189.db2.gz PWMMOFIFRRWQPW-KOLCDFICSA-N 0 3 296.327 -1.872 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H]1CN(CCCO)C[C@@H]1O ZINC000958759410 656979574 /nfs/dbraw/zinc/97/95/74/656979574.db2.gz ZYANKYSRYWJYFY-ZJUUUORDSA-N 0 3 284.316 -1.217 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)nn1 ZINC000958760525 656979619 /nfs/dbraw/zinc/97/96/19/656979619.db2.gz NSNIVWVHGVIVSO-MKHNBGRSSA-N 0 3 290.327 -1.636 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H]1CN(CCCO)C[C@H]1O ZINC000958759407 656980181 /nfs/dbraw/zinc/98/01/81/656980181.db2.gz ZYANKYSRYWJYFY-NXEZZACHSA-N 0 3 284.316 -1.217 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958758269 656980644 /nfs/dbraw/zinc/98/06/44/656980644.db2.gz DXOIIXCEQUXABF-BDAKNGLRSA-N 0 3 270.289 -1.607 20 0 CAADHN Cc1nc(CC(=O)N[C@@H]2[C@H]3CN([C@@H](C)C(N)=O)C[C@H]32)n[nH]1 ZINC000958817299 656981306 /nfs/dbraw/zinc/98/13/06/656981306.db2.gz YQGUEIXTJLUCBQ-FNQQPIMXSA-N 0 3 292.343 -1.424 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000958787787 656981661 /nfs/dbraw/zinc/98/16/61/656981661.db2.gz QMTIEMFTTGRPQT-RGOKHQFPSA-N 0 3 290.327 -1.636 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)c1ncc[nH]1 ZINC000958810179 656981793 /nfs/dbraw/zinc/98/17/93/656981793.db2.gz ZWRCVEGGTLAQAR-RGOKHQFPSA-N 0 3 275.312 -1.042 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000959900087 656989704 /nfs/dbraw/zinc/98/97/04/656989704.db2.gz KJALNLRFFNVIGD-QCBRBAQYSA-N 0 3 291.315 -2.392 20 0 CAADHN NC(=O)CC(=O)N1CCCC[C@H]1CN[C@H]1CCNC1=O ZINC000959935156 656991362 /nfs/dbraw/zinc/99/13/62/656991362.db2.gz SBKUMPJFWQQGDT-UWVGGRQHSA-N 0 3 282.344 -1.279 20 0 CAADHN C[C@H](C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)N1C(=O)CCC1=O ZINC000960170955 656992279 /nfs/dbraw/zinc/99/22/79/656992279.db2.gz YLRIEKQMHHDWFY-DNJQJEMRSA-N 0 3 295.339 -1.437 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@H]1CN[C@H]1CCC(=O)NC1=O ZINC000960113089 656992492 /nfs/dbraw/zinc/99/24/92/656992492.db2.gz GYRWERBKMQPYTK-IUCAKERBSA-N 0 3 296.327 -1.752 20 0 CAADHN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)N1C(=O)CCC1=O ZINC000960170961 656992919 /nfs/dbraw/zinc/99/29/19/656992919.db2.gz YLRIEKQMHHDWFY-QISWUMQESA-N 0 3 295.339 -1.437 20 0 CAADHN O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000960259277 656994524 /nfs/dbraw/zinc/99/45/24/656994524.db2.gz BKBWTPYDNLDQNM-KZWBYHQPSA-N 0 3 281.356 -1.059 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000960254949 656994611 /nfs/dbraw/zinc/99/46/11/656994611.db2.gz KSOQDUUMCCMFFT-UXCLJVHYSA-N 0 3 267.329 -1.449 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CCCNC1=O ZINC000960386697 656995226 /nfs/dbraw/zinc/99/52/26/656995226.db2.gz YESHNOMAZGDEAE-ZNSHCXBVSA-N 0 3 267.329 -1.449 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CCCNC1=O ZINC000960386695 656995905 /nfs/dbraw/zinc/99/59/05/656995905.db2.gz YESHNOMAZGDEAE-UKKRHICBSA-N 0 3 267.329 -1.449 20 0 CAADHN CN(C)CCN1CCN([C@H]2CC(=O)N(C)C2=O)CC1=O ZINC000649482128 656998272 /nfs/dbraw/zinc/99/82/72/656998272.db2.gz CKRPCYBKDZLTEB-JTQLQIEISA-N 0 3 282.344 -1.551 20 0 CAADHN NC(=O)N1CCC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1 ZINC000960897726 657001017 /nfs/dbraw/zinc/00/10/17/657001017.db2.gz KNPKAHAZAQVCMR-WYUUTHIRSA-N 0 3 296.371 -1.184 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)c1ccc2nnnn2c1 ZINC000961060646 657001180 /nfs/dbraw/zinc/00/11/80/657001180.db2.gz MSECABJELLLMRH-IAZYJMLFSA-N 0 3 288.311 -1.223 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CCNC(=O)CC1 ZINC000961352855 657004194 /nfs/dbraw/zinc/00/41/94/657004194.db2.gz ZUWBQHLIAMSYJI-DCQANWLSSA-N 0 3 281.356 -1.059 20 0 CAADHN NC(=O)CN1CCC[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC000961400253 657004958 /nfs/dbraw/zinc/00/49/58/657004958.db2.gz FNUPNZQBUMPVMK-LLVKDONJSA-N 0 3 296.371 -1.092 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@H]1[C@@H]2COC[C@@H]21 ZINC000961553575 657007471 /nfs/dbraw/zinc/00/74/71/657007471.db2.gz PNTMPFVQVLWQGV-QLHLUDRRSA-N 0 3 291.351 -1.186 20 0 CAADHN Cc1nc(C)n(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)n1 ZINC000961646595 657009478 /nfs/dbraw/zinc/00/94/78/657009478.db2.gz JJDJXIKFCMCFRB-URLYPYJESA-N 0 3 292.343 -1.573 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC000961646503 657009645 /nfs/dbraw/zinc/00/96/45/657009645.db2.gz IQGDDTFTSLUDLK-MYJAWHEDSA-N 0 3 263.301 -1.585 20 0 CAADHN Cn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)cn1 ZINC000961651466 657010582 /nfs/dbraw/zinc/01/05/82/657010582.db2.gz VRAOOQDENMODJD-URLYPYJESA-N 0 3 277.328 -1.506 20 0 CAADHN CN1CC(C(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)=NC1=O ZINC000961682098 657011198 /nfs/dbraw/zinc/01/11/98/657011198.db2.gz QFXXYJCQABOERH-MTBHXBHISA-N 0 3 279.300 -1.729 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CC(=O)NC(=O)N1 ZINC000961910162 657014202 /nfs/dbraw/zinc/01/42/02/657014202.db2.gz YDCDDTQNMJAXSX-PYHGXSLLSA-N 0 3 282.300 -2.377 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)C1CC(=O)NC(=O)C1 ZINC000962034320 657015002 /nfs/dbraw/zinc/01/50/02/657015002.db2.gz KORKVESXYRSJKH-GDGBQDQQSA-N 0 3 281.312 -1.922 20 0 CAADHN C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962089724 657016035 /nfs/dbraw/zinc/01/60/35/657016035.db2.gz VUYUTXVEBPIGAA-NGJRWZKOSA-N 0 3 264.289 -1.662 20 0 CAADHN C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962089724 657016039 /nfs/dbraw/zinc/01/60/39/657016039.db2.gz VUYUTXVEBPIGAA-NGJRWZKOSA-N 0 3 264.289 -1.662 20 0 CAADHN O=C(Cc1ncc[nH]1)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000962144874 657016949 /nfs/dbraw/zinc/01/69/49/657016949.db2.gz DFKZPSMAHSUGHN-MPXOCVNLSA-N 0 3 289.339 -1.113 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962249042 657017634 /nfs/dbraw/zinc/01/76/34/657017634.db2.gz CPBZPAVZHSLLIB-SREGZZRCSA-N 0 3 290.327 -1.718 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC000962249042 657017641 /nfs/dbraw/zinc/01/76/41/657017641.db2.gz CPBZPAVZHSLLIB-SREGZZRCSA-N 0 3 290.327 -1.718 20 0 CAADHN COc1cncc(CNCC2CC(NC(=O)C(N)=O)C2)n1 ZINC000962249053 657018174 /nfs/dbraw/zinc/01/81/74/657018174.db2.gz ITLPHIZAIOXSEY-UHFFFAOYSA-N 0 3 293.327 -1.045 20 0 CAADHN Cn1ccc(CNCC2CC(NC(=O)C(N)=O)C2)n1 ZINC000962252824 657019190 /nfs/dbraw/zinc/01/91/90/657019190.db2.gz ZNYZSSCEAZNXNR-UHFFFAOYSA-N 0 3 265.317 -1.110 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC000962332150 657020002 /nfs/dbraw/zinc/02/00/02/657020002.db2.gz KAUBTITZEARVRD-QCBRBAQYSA-N 0 3 253.302 -1.696 20 0 CAADHN Cc1nn(CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)c(=O)n1C ZINC000962432113 657020567 /nfs/dbraw/zinc/02/05/67/657020567.db2.gz QGZYUUJPRCJXJT-IAZYJMLFSA-N 0 3 295.343 -2.071 20 0 CAADHN NC(=O)c1cc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)c[nH]1 ZINC000962569884 657022144 /nfs/dbraw/zinc/02/21/44/657022144.db2.gz VGGPTIPQSGVXAD-JZYVYDRUSA-N 0 3 278.312 -1.234 20 0 CAADHN NC(=O)c1cncc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)c1 ZINC000962615124 657022382 /nfs/dbraw/zinc/02/23/82/657022382.db2.gz JOGQMLBHDSBYKE-GDNZZTSVSA-N 0 3 290.323 -1.167 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CCS(=O)(=O)N1 ZINC000962607425 657022424 /nfs/dbraw/zinc/02/24/24/657022424.db2.gz PKNVMTVBYYGVPX-QCLAVDOMSA-N 0 3 289.357 -2.283 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000963151863 657024935 /nfs/dbraw/zinc/02/49/35/657024935.db2.gz FJGHHNKDSRRMBH-APOZVJGGSA-N 0 3 281.312 -1.922 20 0 CAADHN NC(=O)CN1CCC[C@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963357947 657025403 /nfs/dbraw/zinc/02/54/03/657025403.db2.gz MRNQFOGVNOAKQW-UWVGGRQHSA-N 0 3 282.344 -1.340 20 0 CAADHN C[C@@H]1CCN(CCCO)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964963902 657030713 /nfs/dbraw/zinc/03/07/13/657030713.db2.gz MOOMUDNYIYKHIW-MNOVXSKESA-N 0 3 282.348 -1.118 20 0 CAADHN C[C@H]1CCN(CCCO)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964963903 657031181 /nfs/dbraw/zinc/03/11/81/657031181.db2.gz MOOMUDNYIYKHIW-QWRGUYRKSA-N 0 3 282.348 -1.118 20 0 CAADHN C[C@@H]1CCN(CCCO)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964963900 657031496 /nfs/dbraw/zinc/03/14/96/657031496.db2.gz MOOMUDNYIYKHIW-GHMZBOCLSA-N 0 3 282.348 -1.118 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000965920942 657036687 /nfs/dbraw/zinc/03/66/87/657036687.db2.gz BPORIZRAXQHWSS-NXEZZACHSA-N 0 3 283.332 -1.197 20 0 CAADHN C[C@@H]1CCN(CCCO)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966133675 657037504 /nfs/dbraw/zinc/03/75/04/657037504.db2.gz OYGXZQJMAFJOOX-MNOVXSKESA-N 0 3 282.348 -1.118 20 0 CAADHN C[C@H]1CCN(CCCO)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966133677 657037639 /nfs/dbraw/zinc/03/76/39/657037639.db2.gz OYGXZQJMAFJOOX-QWRGUYRKSA-N 0 3 282.348 -1.118 20 0 CAADHN O=C(C1=COCCO1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000966708878 657042018 /nfs/dbraw/zinc/04/20/18/657042018.db2.gz ITUOJJNONWFSJN-ZJUUUORDSA-N 0 3 281.312 -1.046 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC000966726487 657043161 /nfs/dbraw/zinc/04/31/61/657043161.db2.gz JPBRCFPBASRUMN-SNVBAGLBSA-N 0 3 264.285 -1.391 20 0 CAADHN O=C(c1ccc(=O)[nH]n1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000966729106 657043460 /nfs/dbraw/zinc/04/34/60/657043460.db2.gz XCZXRCBTCVFOAU-RKDXNWHRSA-N 0 3 291.311 -1.125 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC000966751060 657045173 /nfs/dbraw/zinc/04/51/73/657045173.db2.gz IWGALBPEBKBNPK-XCBNKYQSSA-N 0 3 293.327 -1.291 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)Cn2cccn2)C1)C(N)=O ZINC000967030312 657047238 /nfs/dbraw/zinc/04/72/38/657047238.db2.gz IGAJHOPOQHKFBV-NXEZZACHSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CN2CCCC2=O)C1)C(N)=O ZINC000966885838 657047397 /nfs/dbraw/zinc/04/73/97/657047397.db2.gz HBRNOGATHGWYIO-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN Cn1cc(CN[C@@H]2CCN(C(=O)Cn3cnnn3)C2)cn1 ZINC000966889008 657047408 /nfs/dbraw/zinc/04/74/08/657047408.db2.gz JLFFNFISBHORKD-LLVKDONJSA-N 0 3 290.331 -1.203 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CN2CCCC2=O)C1)C(N)=O ZINC000966885837 657047747 /nfs/dbraw/zinc/04/77/47/657047747.db2.gz HBRNOGATHGWYIO-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)Cn2cnnn2)C1)C(N)=O ZINC000966886262 657047827 /nfs/dbraw/zinc/04/78/27/657047827.db2.gz RVEJJHRPMNBSIC-HTQZYQBOSA-N 0 3 267.293 -2.263 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1)C(N)=O ZINC000967424688 657049125 /nfs/dbraw/zinc/04/91/25/657049125.db2.gz NJWXHIXKWZGLIO-JGVFFNPUSA-N 0 3 277.346 -1.905 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC000967283895 657049428 /nfs/dbraw/zinc/04/94/28/657049428.db2.gz IKSQGSPVVZVSLJ-RKDXNWHRSA-N 0 3 257.290 -1.922 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)N1CCC1 ZINC000967766250 657050170 /nfs/dbraw/zinc/05/01/70/657050170.db2.gz GDVYXUMRXGHBNN-GHMZBOCLSA-N 0 3 294.355 -1.312 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC000968123868 657050252 /nfs/dbraw/zinc/05/02/52/657050252.db2.gz MEUPYMVNBNQCLA-HTQZYQBOSA-N 0 3 282.300 -2.143 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2nccnc2N)C1)C(N)=O ZINC000968028333 657050595 /nfs/dbraw/zinc/05/05/95/657050595.db2.gz RQJZDZQEEBJHFP-JGVFFNPUSA-N 0 3 278.316 -1.263 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968105902 657050624 /nfs/dbraw/zinc/05/06/24/657050624.db2.gz OERPYBWUXPOPLN-SECBINFHSA-N 0 3 268.317 -1.715 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000968123835 657050645 /nfs/dbraw/zinc/05/06/45/657050645.db2.gz LOAQNXMYNHQFCO-BDAKNGLRSA-N 0 3 268.317 -1.669 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC000968025990 657051127 /nfs/dbraw/zinc/05/11/27/657051127.db2.gz AUAUVDUSHYWHEP-SSDOTTSWSA-N 0 3 264.289 -1.652 20 0 CAADHN Nc1nccnc1C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000968027405 657051151 /nfs/dbraw/zinc/05/11/51/657051151.db2.gz MGDDYJUGGZGBMM-RKDXNWHRSA-N 0 3 290.327 -1.249 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC000968123874 657051201 /nfs/dbraw/zinc/05/12/01/657051201.db2.gz MEUPYMVNBNQCLA-SFYZADRCSA-N 0 3 282.300 -2.143 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000968125638 657051601 /nfs/dbraw/zinc/05/16/01/657051601.db2.gz ZXLFXHWYNVGJLI-SFYZADRCSA-N 0 3 254.290 -2.059 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000968224612 657051713 /nfs/dbraw/zinc/05/17/13/657051713.db2.gz SFUXHRVZGWXSNI-SECBINFHSA-N 0 3 251.290 -1.372 20 0 CAADHN Cc1c(C(=O)N2CC[C@@H](NCC(N)=O)C2)nnn1C ZINC000968238317 657052436 /nfs/dbraw/zinc/05/24/36/657052436.db2.gz MEDRWRFHLQAZGK-MRVPVSSYSA-N 0 3 266.305 -1.587 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC000968419522 657052918 /nfs/dbraw/zinc/05/29/18/657052918.db2.gz MRTUUCKPHYWGHB-RKDXNWHRSA-N 0 3 269.301 -1.385 20 0 CAADHN C[C@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)n1cncn1 ZINC000968453411 657053382 /nfs/dbraw/zinc/05/33/82/657053382.db2.gz IKOYHOYQLDTWNL-RKDXNWHRSA-N 0 3 266.305 -1.485 20 0 CAADHN C[C@H]1CCN(CCO)C[C@@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000968417282 657053457 /nfs/dbraw/zinc/05/34/57/657053457.db2.gz FCYQYLSTDUTKME-ONGXEEELSA-N 0 3 297.355 -1.142 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000968390880 657053698 /nfs/dbraw/zinc/05/36/98/657053698.db2.gz DNCFINTXTXFVCZ-RKDXNWHRSA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000968417281 657053732 /nfs/dbraw/zinc/05/37/32/657053732.db2.gz FCYQYLSTDUTKME-MWLCHTKSSA-N 0 3 297.355 -1.142 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cn(C)nn2)C1)C(N)=O ZINC000968572677 657054026 /nfs/dbraw/zinc/05/40/26/657054026.db2.gz WJZILYBYJTYNCD-JGVFFNPUSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1)C(N)=O ZINC000968495621 657054166 /nfs/dbraw/zinc/05/41/66/657054166.db2.gz BWLVLFRFWGFRDH-JGVFFNPUSA-N 0 3 282.300 -1.344 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968547665 657054238 /nfs/dbraw/zinc/05/42/38/657054238.db2.gz BIDYHIVUGUQRPO-SNVBAGLBSA-N 0 3 292.343 -1.149 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000968553219 657054575 /nfs/dbraw/zinc/05/45/75/657054575.db2.gz QZPQNLRXBCCHRE-NXEZZACHSA-N 0 3 292.343 -1.102 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)n[nH]1 ZINC000968552964 657054630 /nfs/dbraw/zinc/05/46/30/657054630.db2.gz KRJUORLPNCISNO-RKDXNWHRSA-N 0 3 294.315 -1.088 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968553115 657054773 /nfs/dbraw/zinc/05/47/73/657054773.db2.gz OFCFSLRZZLRIIM-SSDOTTSWSA-N 0 3 252.278 -1.896 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC000968522291 657054810 /nfs/dbraw/zinc/05/48/10/657054810.db2.gz CUGGQQAPJITTPT-SNVBAGLBSA-N 0 3 263.301 -1.305 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1)C(N)=O ZINC000968473087 657054955 /nfs/dbraw/zinc/05/49/55/657054955.db2.gz PFOQZXFQLMRGQL-HTQZYQBOSA-N 0 3 280.332 -1.320 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000968553220 657055055 /nfs/dbraw/zinc/05/50/55/657055055.db2.gz QZPQNLRXBCCHRE-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)c1N ZINC000968473482 657055136 /nfs/dbraw/zinc/05/51/36/657055136.db2.gz ULDHZHSTTAEDDP-SCZZXKLOSA-N 0 3 292.343 -1.305 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)nn1 ZINC000968576293 657055467 /nfs/dbraw/zinc/05/54/67/657055467.db2.gz WYWGSEULHNHIOW-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)o1 ZINC000968581322 657055935 /nfs/dbraw/zinc/05/59/35/657055935.db2.gz ZWBSXEMJHZLANP-NXEZZACHSA-N 0 3 293.327 -1.000 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1)N1CCC1 ZINC000968672773 657055994 /nfs/dbraw/zinc/05/59/94/657055994.db2.gz NIVOYYXHCLTIRL-SNVBAGLBSA-N 0 3 293.331 -1.904 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](NCC(N)=O)C2)o1 ZINC000968580909 657056026 /nfs/dbraw/zinc/05/60/26/657056026.db2.gz FXIHCFBEFIDOKC-MRVPVSSYSA-N 0 3 267.289 -1.404 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000968683338 657056182 /nfs/dbraw/zinc/05/61/82/657056182.db2.gz GRJALRNKVYVVSF-ZJUUUORDSA-N 0 3 293.331 -1.858 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000968583849 657056204 /nfs/dbraw/zinc/05/62/04/657056204.db2.gz UVHZWGZIJYGBIP-SSDOTTSWSA-N 0 3 252.278 -1.896 20 0 CAADHN C[C@H]1CCN(CCO)C[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000968627609 657056279 /nfs/dbraw/zinc/05/62/79/657056279.db2.gz KHOCOIHNGKZPJC-UWVGGRQHSA-N 0 3 298.343 -1.643 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](NCC(N)=O)C2)[nH]1 ZINC000968632875 657056399 /nfs/dbraw/zinc/05/63/99/657056399.db2.gz JVRYSYGNZCWULC-MRVPVSSYSA-N 0 3 266.305 -1.669 20 0 CAADHN NC(=O)c1ncn(CC(=O)N2CC[C@@H](NCCF)C2)n1 ZINC000968738483 657056928 /nfs/dbraw/zinc/05/69/28/657056928.db2.gz WQGQEKDIZFWIQS-MRVPVSSYSA-N 0 3 284.295 -1.463 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)Cn2nccn2)C1)C(N)=O ZINC000968805716 657057093 /nfs/dbraw/zinc/05/70/93/657057093.db2.gz RJQJDUILSTXXTJ-RKDXNWHRSA-N 0 3 266.305 -1.658 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)Cn3ncnn3)C2)n[nH]1 ZINC000968683720 657057622 /nfs/dbraw/zinc/05/76/22/657057622.db2.gz ZBCKPOBFAJLUIG-SECBINFHSA-N 0 3 291.319 -1.510 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000968716718 657057675 /nfs/dbraw/zinc/05/76/75/657057675.db2.gz GKQAWRTXTKBYNE-OPRDCNLKSA-N 0 3 282.344 -1.423 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000968683457 657057915 /nfs/dbraw/zinc/05/79/15/657057915.db2.gz MDCGTNQWVVPVOI-BDAKNGLRSA-N 0 3 279.304 -2.248 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](NCC(N)=O)C2)cc1=O ZINC000968964511 657058535 /nfs/dbraw/zinc/05/85/35/657058535.db2.gz HDSLDHVSAUFRGE-MRVPVSSYSA-N 0 3 279.300 -1.930 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cnc3n2CCOC3)C1 ZINC000968979493 657058564 /nfs/dbraw/zinc/05/85/64/657058564.db2.gz NANUDURCRRVTMD-SECBINFHSA-N 0 3 293.327 -1.297 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(N)=O ZINC000968952587 657058629 /nfs/dbraw/zinc/05/86/29/657058629.db2.gz OEEOVYZFOPDKSU-RNJXMRFFSA-N 0 3 297.315 -2.351 20 0 CAADHN C[C@@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)N1C(=O)CCC1=O ZINC000968845404 657058643 /nfs/dbraw/zinc/05/86/43/657058643.db2.gz OSMSEIIVZQWDKC-DTWKUNHWSA-N 0 3 296.327 -1.800 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)C(N)=O ZINC000968930254 657058665 /nfs/dbraw/zinc/05/86/65/657058665.db2.gz STNGFGNSVHXOCP-VHSXEESVSA-N 0 3 298.343 -2.091 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H](NCCF)C1 ZINC000968952556 657058914 /nfs/dbraw/zinc/05/89/14/657058914.db2.gz MVYHIDBGJBMAQC-SFYZADRCSA-N 0 3 272.280 -1.256 20 0 CAADHN O=C(Cn1nccn1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000968808485 657058999 /nfs/dbraw/zinc/05/89/99/657058999.db2.gz ZYASIUNVEMHTPJ-ZJUUUORDSA-N 0 3 278.316 -1.643 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)C(N)=O ZINC000968986272 657059022 /nfs/dbraw/zinc/05/90/22/657059022.db2.gz HHUNPDBLEKHFCE-HTQZYQBOSA-N 0 3 270.333 -1.438 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCn2ccccc2=O)C1 ZINC000968847676 657059199 /nfs/dbraw/zinc/05/91/99/657059199.db2.gz KFBZAFBTSBGXPF-LLVKDONJSA-N 0 3 292.339 -1.086 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968958288 657059385 /nfs/dbraw/zinc/05/93/85/657059385.db2.gz GTNCKXBJFQRPIX-NGZCFLSTSA-N 0 3 271.317 -1.534 20 0 CAADHN C[C@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)N1C(=O)CCC1=O ZINC000968845405 657059449 /nfs/dbraw/zinc/05/94/49/657059449.db2.gz OSMSEIIVZQWDKC-RKDXNWHRSA-N 0 3 296.327 -1.800 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)O1 ZINC000969071751 657059795 /nfs/dbraw/zinc/05/97/95/657059795.db2.gz DGHBPYCUQVHNIZ-GMTAPVOTSA-N 0 3 284.360 -1.619 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cn3c(n2)COCC3)C1 ZINC000969088828 657059847 /nfs/dbraw/zinc/05/98/47/657059847.db2.gz ARJZSVMCZPTGPT-SECBINFHSA-N 0 3 293.327 -1.297 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC000969007458 657060320 /nfs/dbraw/zinc/06/03/20/657060320.db2.gz AJNVRDSHSWHGCR-MRVPVSSYSA-N 0 3 265.273 -1.528 20 0 CAADHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1)C(N)=O ZINC000969035012 657060801 /nfs/dbraw/zinc/06/08/01/657060801.db2.gz LIDGSOMAIWCEFP-HTQZYQBOSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1)C(N)=O ZINC000969020005 657060882 /nfs/dbraw/zinc/06/08/82/657060882.db2.gz NCTIMXPPPXFGSV-IVZWLZJFSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@H](O)CN1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007162350 657062757 /nfs/dbraw/zinc/06/27/57/657062757.db2.gz RJKOGESVYUDWIV-UWVGGRQHSA-N 0 3 283.332 -1.055 20 0 CAADHN C[C@H](O)CN1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007343678 657063300 /nfs/dbraw/zinc/06/33/00/657063300.db2.gz NCNPWEXQLQZVSH-VHSXEESVSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@@H](O)CN1CCC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007162352 657063320 /nfs/dbraw/zinc/06/33/20/657063320.db2.gz RJKOGESVYUDWIV-ZJUUUORDSA-N 0 3 283.332 -1.055 20 0 CAADHN C[C@H](O)CN1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007343675 657063565 /nfs/dbraw/zinc/06/35/65/657063565.db2.gz NCNPWEXQLQZVSH-UWVGGRQHSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@@H](O)CN1CCC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007503372 657063957 /nfs/dbraw/zinc/06/39/57/657063957.db2.gz BGEUXCMJQQPBCW-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@H](O)CN1CCC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007503376 657064176 /nfs/dbraw/zinc/06/41/76/657064176.db2.gz BGEUXCMJQQPBCW-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007503378 657065500 /nfs/dbraw/zinc/06/55/00/657065500.db2.gz BGEUXCMJQQPBCW-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCCN(CCCO)C1 ZINC001007518809 657065547 /nfs/dbraw/zinc/06/55/47/657065547.db2.gz FDYLFFLYZWYTTG-UWVGGRQHSA-N 0 3 298.343 -1.453 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCN(CCO)C1 ZINC001007520030 657065913 /nfs/dbraw/zinc/06/59/13/657065913.db2.gz WONAEARHDQNRQO-BDAKNGLRSA-N 0 3 284.316 -1.843 20 0 CAADHN Cn1cnn(CC(=O)N[C@H]2CCCN(CCCO)C2)c1=O ZINC001007707097 657066504 /nfs/dbraw/zinc/06/65/04/657066504.db2.gz SHDCGGKJYGBCMK-NSHDSACASA-N 0 3 297.359 -1.455 20 0 CAADHN C[C@H](O)CN1CCC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007708540 657067564 /nfs/dbraw/zinc/06/75/64/657067564.db2.gz YGZYZZSHDKJXSG-QWRGUYRKSA-N 0 3 297.359 -1.457 20 0 CAADHN O=C(N[C@@H]1CCCN(CCCO)C1)[C@H]1CNC(=O)N1 ZINC001008379055 657072818 /nfs/dbraw/zinc/07/28/18/657072818.db2.gz ZFGJCHIQDSQOAN-NXEZZACHSA-N 0 3 270.333 -1.369 20 0 CAADHN O=C(N[C@H]1CCCN(CCCO)C1)[C@H]1CNC(=O)N1 ZINC001008379062 657073190 /nfs/dbraw/zinc/07/31/90/657073190.db2.gz ZFGJCHIQDSQOAN-VHSXEESVSA-N 0 3 270.333 -1.369 20 0 CAADHN O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1CNC(=O)N1 ZINC001008379066 657073876 /nfs/dbraw/zinc/07/38/76/657073876.db2.gz ZFGJCHIQDSQOAN-ZJUUUORDSA-N 0 3 270.333 -1.369 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@H]1CCCN(CCCO)C1 ZINC001008899056 657076866 /nfs/dbraw/zinc/07/68/66/657076866.db2.gz KHXJTULLOQBZHR-JTQLQIEISA-N 0 3 298.343 -1.499 20 0 CAADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008899996 657077501 /nfs/dbraw/zinc/07/75/01/657077501.db2.gz MMAXXORWYRTTLY-NXEZZACHSA-N 0 3 298.343 -1.500 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCN(CCCO)C1 ZINC001008899092 657077623 /nfs/dbraw/zinc/07/76/23/657077623.db2.gz KHXJTULLOQBZHR-SNVBAGLBSA-N 0 3 298.343 -1.499 20 0 CAADHN O=C(Cc1nc[nH]n1)N[C@@H]1CCCN(CCO)C1 ZINC001009146062 657078834 /nfs/dbraw/zinc/07/88/34/657078834.db2.gz QJERFANUPAVMKT-SECBINFHSA-N 0 3 253.306 -1.080 20 0 CAADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009459655 657079939 /nfs/dbraw/zinc/07/99/39/657079939.db2.gz LKJVRESNPKRPOU-NXEZZACHSA-N 0 3 298.343 -1.500 20 0 CAADHN COCCN1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009460919 657080615 /nfs/dbraw/zinc/08/06/15/657080615.db2.gz NWTAFVWVKBTMRX-SNVBAGLBSA-N 0 3 298.343 -1.235 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010109121 657085787 /nfs/dbraw/zinc/08/57/87/657085787.db2.gz RIAFWZIKAPBTGJ-DTWKUNHWSA-N 0 3 254.294 -1.756 20 0 CAADHN COC[C@@H](C)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010081249 657085806 /nfs/dbraw/zinc/08/58/06/657085806.db2.gz UBGFFZFJMLGGIX-NXEZZACHSA-N 0 3 268.321 -1.102 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@H]1CCC(=O)N1 ZINC001010381177 657090002 /nfs/dbraw/zinc/09/00/02/657090002.db2.gz MCABBJGGWKCVGM-VHSXEESVSA-N 0 3 255.318 -1.162 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN2CCOCC2)C1 ZINC001010662667 657094058 /nfs/dbraw/zinc/09/40/58/657094058.db2.gz KHIGRCZEUUFOCW-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010695271 657094143 /nfs/dbraw/zinc/09/41/43/657094143.db2.gz COOHATMNVAIHMI-IUCAKERBSA-N 0 3 269.305 -1.445 20 0 CAADHN O=C(CN1CCOCC1)N[C@H]1CCN(CCO)C1 ZINC001010676451 657094158 /nfs/dbraw/zinc/09/41/58/657094158.db2.gz DIIJORJAHQXLLB-NSHDSACASA-N 0 3 257.334 -1.499 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N[C@H]1CCN(CCCO)C1 ZINC001010691509 657094180 /nfs/dbraw/zinc/09/41/80/657094180.db2.gz MAUDCJCWRGMXMG-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCOC[C@H]1C(=O)N[C@H]1CCN(CCCO)C1 ZINC001010691510 657094372 /nfs/dbraw/zinc/09/43/72/657094372.db2.gz MAUDCJCWRGMXMG-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@H]1COC(=O)N1 ZINC001010816282 657095070 /nfs/dbraw/zinc/09/50/70/657095070.db2.gz MTXJLSJURRSQOY-RKDXNWHRSA-N 0 3 257.290 -1.332 20 0 CAADHN CN(C)[C@H](C(=O)N1CCN(C(=O)C(N)=O)CC1)C1CC1 ZINC001011264074 657107205 /nfs/dbraw/zinc/10/72/05/657107205.db2.gz ZTBKHXVXFXANDI-JTQLQIEISA-N 0 3 282.344 -1.517 20 0 CAADHN CC[C@H](C(=O)N1CCN(C(=O)C(N)=O)CC1)N(C)C ZINC001011322789 657108019 /nfs/dbraw/zinc/10/80/19/657108019.db2.gz TVFXUHSCANWYRV-SECBINFHSA-N 0 3 270.333 -1.517 20 0 CAADHN CC(C)[C@H](C(=O)N1CCN(C(=O)C(N)=O)CC1)N(C)C ZINC001011829588 657115523 /nfs/dbraw/zinc/11/55/23/657115523.db2.gz OCCSSHDTSWQEPZ-SNVBAGLBSA-N 0 3 284.360 -1.271 20 0 CAADHN C[C@@H]1[C@H](NC(=O)C(N)=O)CCN1C(=O)CN1CCCC1 ZINC001011770579 657115873 /nfs/dbraw/zinc/11/58/73/657115873.db2.gz DUQUQZOZBJVYHF-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001012014311 657119665 /nfs/dbraw/zinc/11/96/65/657119665.db2.gz BSLVBVJSRGNYDS-IUCAKERBSA-N 0 3 293.327 -1.148 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001012313438 657125251 /nfs/dbraw/zinc/12/52/51/657125251.db2.gz IMPDJPOYANSGFK-SNVBAGLBSA-N 0 3 282.344 -1.373 20 0 CAADHN Cc1nnc(CC(=O)N[C@H]2CCN(CCO)C2)[nH]1 ZINC001014387419 657143993 /nfs/dbraw/zinc/14/39/93/657143993.db2.gz KTMJLVGGLPRKLE-VIFPVBQESA-N 0 3 253.306 -1.162 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014431751 657145581 /nfs/dbraw/zinc/14/55/81/657145581.db2.gz VEJBJSOLQOSEHG-DTWKUNHWSA-N 0 3 254.294 -1.756 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014504360 657147709 /nfs/dbraw/zinc/14/77/09/657147709.db2.gz VIQSWMHKEJCURM-VIFPVBQESA-N 0 3 296.331 -1.786 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014509585 657148674 /nfs/dbraw/zinc/14/86/74/657148674.db2.gz SBLGIIZSDBCZRO-QMMMGPOBSA-N 0 3 266.305 -1.413 20 0 CAADHN NC(=O)c1ncn(CC(=O)N[C@@H]2CCN(CCCF)C2)n1 ZINC001014503905 657148903 /nfs/dbraw/zinc/14/89/03/657148903.db2.gz SUMWJISWOGQWQJ-SECBINFHSA-N 0 3 298.322 -1.073 20 0 CAADHN CC1(C)CC(=O)N(CC(=O)N[C@@H]2CCN(CCO)C2)C1=O ZINC001014448365 657149092 /nfs/dbraw/zinc/14/90/92/657149092.db2.gz WCSMYYUYRJMBEC-SNVBAGLBSA-N 0 3 297.355 -1.046 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014623153 657150117 /nfs/dbraw/zinc/15/01/17/657150117.db2.gz AFJANFICZZLSNL-SNVBAGLBSA-N 0 3 280.328 -1.243 20 0 CAADHN O=C(Cn1nccn1)N[C@H]1CCN(CCCO)C1 ZINC001014575748 657150680 /nfs/dbraw/zinc/15/06/80/657150680.db2.gz URQFCPDVUNCQMO-JTQLQIEISA-N 0 3 253.306 -1.149 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)N[C@H]1CCN(CCO)C1 ZINC001014708554 657150852 /nfs/dbraw/zinc/15/08/52/657150852.db2.gz WURBTBAFXFHKND-UWVGGRQHSA-N 0 3 255.318 -1.305 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N[C@@H]2CCN(CCO)C2)c1=O ZINC001014632706 657151326 /nfs/dbraw/zinc/15/13/26/657151326.db2.gz QVSWCJWGJQNBRZ-SNVBAGLBSA-N 0 3 296.327 -2.270 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N[C@H]2CCN(CCO)C2)c1=O ZINC001014632701 657151359 /nfs/dbraw/zinc/15/13/59/657151359.db2.gz QVSWCJWGJQNBRZ-JTQLQIEISA-N 0 3 296.327 -2.270 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014786590 657152357 /nfs/dbraw/zinc/15/23/57/657152357.db2.gz SMTCRLBTWWHCJQ-UWVGGRQHSA-N 0 3 280.328 -1.035 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@@H]1CCN(CCO)C1 ZINC001014742730 657152432 /nfs/dbraw/zinc/15/24/32/657152432.db2.gz UXQLKUKVUSCVDM-SNVBAGLBSA-N 0 3 271.317 -1.972 20 0 CAADHN Cn1cnc(C(=O)N[C@H]2CCN(CCCO)C2)cc1=O ZINC001014797395 657152534 /nfs/dbraw/zinc/15/25/34/657152534.db2.gz RGKIVTVHRNASEO-JTQLQIEISA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014786591 657153869 /nfs/dbraw/zinc/15/38/69/657153869.db2.gz SMTCRLBTWWHCJQ-VHSXEESVSA-N 0 3 280.328 -1.035 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@@H]1CCN(CCCO)C1 ZINC001014742489 657154784 /nfs/dbraw/zinc/15/47/84/657154784.db2.gz UHGYENIBXLBAEZ-LLVKDONJSA-N 0 3 285.344 -1.582 20 0 CAADHN O=C(N[C@H]1CCN(CCO)C1)c1cn[nH]c(=O)c1 ZINC001014828966 657156353 /nfs/dbraw/zinc/15/63/53/657156353.db2.gz LETJXYIUHDSUHH-VIFPVBQESA-N 0 3 252.274 -1.021 20 0 CAADHN O=C(N[C@@H]1CCN(CCO)C1)c1cnc[nH]c1=O ZINC001014873136 657157042 /nfs/dbraw/zinc/15/70/42/657157042.db2.gz VKCYCHFVPCZULC-MRVPVSSYSA-N 0 3 252.274 -1.021 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014999864 657158146 /nfs/dbraw/zinc/15/81/46/657158146.db2.gz MDJCWILAHUGRFW-RYUDHWBXSA-N 0 3 298.387 -1.668 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015003962 657158225 /nfs/dbraw/zinc/15/82/25/657158225.db2.gz NEQKMHLEKHYQOY-VIFPVBQESA-N 0 3 253.306 -1.208 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014999866 657159231 /nfs/dbraw/zinc/15/92/31/657159231.db2.gz MDJCWILAHUGRFW-VXGBXAGGSA-N 0 3 298.387 -1.668 20 0 CAADHN Cn1cnn(CC(=O)N[C@H]2CCN(CCCO)C2)c1=O ZINC001015002838 657159857 /nfs/dbraw/zinc/15/98/57/657159857.db2.gz CHJAJMSPPYCDPQ-JTQLQIEISA-N 0 3 283.332 -1.845 20 0 CAADHN O=C(CN1CCCNC1=O)N[C@@H]1CCN(CCCO)C1 ZINC001015083192 657161196 /nfs/dbraw/zinc/16/11/96/657161196.db2.gz APGFDYBVAFRAHO-LLVKDONJSA-N 0 3 284.360 -1.025 20 0 CAADHN O=C(CN1CCCNC1=O)N[C@H]1CCN(CCO)C1 ZINC001015086526 657161212 /nfs/dbraw/zinc/16/12/12/657161212.db2.gz DCIJACNBKWFMOY-JTQLQIEISA-N 0 3 270.333 -1.416 20 0 CAADHN O=C(CN1CCCNC1=O)N[C@H]1CCN(CCCO)C1 ZINC001015083198 657161219 /nfs/dbraw/zinc/16/12/19/657161219.db2.gz APGFDYBVAFRAHO-NSHDSACASA-N 0 3 284.360 -1.025 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCN(CCCO)C1 ZINC001015140400 657164381 /nfs/dbraw/zinc/16/43/81/657164381.db2.gz ULXGGVQYPFOJKY-JTQLQIEISA-N 0 3 296.327 -1.478 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CCN(CCCO)C2)ncc1=O ZINC001015329977 657165116 /nfs/dbraw/zinc/16/51/16/657165116.db2.gz OMGIOANOIHLHRI-SNVBAGLBSA-N 0 3 280.328 -1.033 20 0 CAADHN Cn1cc(C(=O)N[C@H]2CCN(CCCO)C2)ncc1=O ZINC001015329976 657166505 /nfs/dbraw/zinc/16/65/05/657166505.db2.gz OMGIOANOIHLHRI-JTQLQIEISA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015329340 657166675 /nfs/dbraw/zinc/16/66/75/657166675.db2.gz LEUYZGXVNMFGBY-VHSXEESVSA-N 0 3 280.328 -1.035 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)N[C@H]2CCN(CCCO)C2)c1=O ZINC001015487669 657168281 /nfs/dbraw/zinc/16/82/81/657168281.db2.gz NLMODJDSMCEACE-VIFPVBQESA-N 0 3 296.327 -1.328 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CCN(CCCO)C2)c1=O ZINC001015487667 657168655 /nfs/dbraw/zinc/16/86/55/657168655.db2.gz NLMODJDSMCEACE-SECBINFHSA-N 0 3 296.327 -1.328 20 0 CAADHN COC[C@H](C)N1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507523 657169673 /nfs/dbraw/zinc/16/96/73/657169673.db2.gz DUTTYGJMOYQLCM-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CCN(CCCO)C2)NC1=O ZINC001015507442 657170982 /nfs/dbraw/zinc/17/09/82/657170982.db2.gz DAVLLYOUYYMNBZ-ZJUUUORDSA-N 0 3 270.333 -1.417 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H]2CCN(CCCO)C2)NC1=O ZINC001015507438 657171138 /nfs/dbraw/zinc/17/11/38/657171138.db2.gz DAVLLYOUYYMNBZ-UWVGGRQHSA-N 0 3 270.333 -1.417 20 0 CAADHN COC[C@@H](C)N1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507526 657171207 /nfs/dbraw/zinc/17/12/07/657171207.db2.gz DUTTYGJMOYQLCM-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015622269 657177050 /nfs/dbraw/zinc/17/70/50/657177050.db2.gz DMPUMCFFNCICAA-BDAKNGLRSA-N 0 3 266.301 -1.045 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)c1c[nH]c(=O)cn1 ZINC001015622365 657177543 /nfs/dbraw/zinc/17/75/43/657177543.db2.gz GIQGICLIFXXSRD-SECBINFHSA-N 0 3 266.301 -1.044 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@H]1CNC(=O)N1 ZINC001015634088 657177691 /nfs/dbraw/zinc/17/76/91/657177691.db2.gz KYDFPTKIRLTJSV-DTWKUNHWSA-N 0 3 256.306 -1.759 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015622272 657177958 /nfs/dbraw/zinc/17/79/58/657177958.db2.gz DMPUMCFFNCICAA-RKDXNWHRSA-N 0 3 266.301 -1.045 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCN(C[C@@H]2CCNC(=O)CC2)C1 ZINC001015640160 657181933 /nfs/dbraw/zinc/18/19/33/657181933.db2.gz KMLPJOZJZWZRNM-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001015786022 657186358 /nfs/dbraw/zinc/18/63/58/657186358.db2.gz GBGULZSHFLKQOR-MRVPVSSYSA-N 0 3 282.300 -1.383 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015712936 657186382 /nfs/dbraw/zinc/18/63/82/657186382.db2.gz KJJWQHPAWLOJHI-BBBLOLIVSA-N 0 3 255.318 -1.055 20 0 CAADHN NC(=O)CN1CC[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001015765533 657186569 /nfs/dbraw/zinc/18/65/69/657186569.db2.gz OVBDRWIOIMRIBW-QMMMGPOBSA-N 0 3 251.290 -1.372 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001015712934 657186748 /nfs/dbraw/zinc/18/67/48/657186748.db2.gz KJJWQHPAWLOJHI-AEJSXWLSSA-N 0 3 255.318 -1.055 20 0 CAADHN NC(=O)CN1CC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001015765532 657187311 /nfs/dbraw/zinc/18/73/11/657187311.db2.gz OVBDRWIOIMRIBW-MRVPVSSYSA-N 0 3 251.290 -1.372 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015836006 657188037 /nfs/dbraw/zinc/18/80/37/657188037.db2.gz AZHDLJWUGRVYSN-WCBMZHEXSA-N 0 3 283.328 -1.390 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837411 657188854 /nfs/dbraw/zinc/18/88/54/657188854.db2.gz QUJQCCBAFDNQJB-SNVBAGLBSA-N 0 3 283.328 -1.124 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015836004 657188992 /nfs/dbraw/zinc/18/89/92/657188992.db2.gz AZHDLJWUGRVYSN-PSASIEDQSA-N 0 3 283.328 -1.390 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CCN(CCO)C2)c(=O)n(C)c1=O ZINC001015789628 657189037 /nfs/dbraw/zinc/18/90/37/657189037.db2.gz SJWANFRSJXVWAW-SECBINFHSA-N 0 3 296.327 -2.120 20 0 CAADHN CN(C)C(=O)CN1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001015872048 657190579 /nfs/dbraw/zinc/19/05/79/657190579.db2.gz YQNCWLPAQLHOBA-MRVPVSSYSA-N 0 3 266.305 -1.303 20 0 CAADHN CNC(=O)[C@H](C)N1CC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001015871159 657190734 /nfs/dbraw/zinc/19/07/34/657190734.db2.gz IGUFLDDLYVLSEV-JGVFFNPUSA-N 0 3 266.305 -1.257 20 0 CAADHN CO[C@H](C)CN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865824 657191520 /nfs/dbraw/zinc/19/15/20/657191520.db2.gz GTKNEMWQCLWJIF-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN CN1C(=O)CN(CC(=O)N[C@@H]2CCN(CCO)C2)C1=O ZINC001015985842 657194404 /nfs/dbraw/zinc/19/44/04/657194404.db2.gz AWUHEMPCUXITNM-SECBINFHSA-N 0 3 284.316 -1.937 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001015988137 657195065 /nfs/dbraw/zinc/19/50/65/657195065.db2.gz SNBDFUBLFUOODK-VHSXEESVSA-N 0 3 298.343 -1.548 20 0 CAADHN O=C(Cc1nnc[nH]1)N[C@H]1CCN(CCn2cncn2)C1 ZINC001015970646 657196319 /nfs/dbraw/zinc/19/63/19/657196319.db2.gz PRIMXLAPXRBXIC-JTQLQIEISA-N 0 3 290.331 -1.171 20 0 CAADHN COC[C@@H](C)N1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200689 657200372 /nfs/dbraw/zinc/20/03/72/657200372.db2.gz YGOAIHCHTHFKSS-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016180158 657200410 /nfs/dbraw/zinc/20/04/10/657200410.db2.gz FJZLPEOEQRLRER-UWVGGRQHSA-N 0 3 280.328 -1.035 20 0 CAADHN CO[C@@H](C)CN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016198901 657200486 /nfs/dbraw/zinc/20/04/86/657200486.db2.gz CGALAKSCKTWDCF-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016192241 657200817 /nfs/dbraw/zinc/20/08/17/657200817.db2.gz HBHVITUDCMXDPB-ZJUUUORDSA-N 0 3 253.306 -1.151 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200050 657200834 /nfs/dbraw/zinc/20/08/34/657200834.db2.gz QYVIMGQJNBNPCA-QMMMGPOBSA-N 0 3 254.290 -1.251 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1CCN(CCCO)C1 ZINC001016186464 657201530 /nfs/dbraw/zinc/20/15/30/657201530.db2.gz GLIGJIZJTQEZOD-SNVBAGLBSA-N 0 3 253.306 -1.149 20 0 CAADHN COC[C@@H](C)N1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200686 657201931 /nfs/dbraw/zinc/20/19/31/657201931.db2.gz YGOAIHCHTHFKSS-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016241209 657202477 /nfs/dbraw/zinc/20/24/77/657202477.db2.gz YSJCQEYMBUXHCN-DTWKUNHWSA-N 0 3 296.327 -1.329 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016241210 657202659 /nfs/dbraw/zinc/20/26/59/657202659.db2.gz YSJCQEYMBUXHCN-IUCAKERBSA-N 0 3 296.327 -1.329 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@@H]2CCN(CCO)C2)C1=O ZINC001016200991 657203502 /nfs/dbraw/zinc/20/35/02/657203502.db2.gz ALUCJRVKBIGPGJ-SECBINFHSA-N 0 3 284.316 -1.937 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N[C@H]1CCN(CCO)C1 ZINC001016207783 657203673 /nfs/dbraw/zinc/20/36/73/657203673.db2.gz GXTUZGGAOMQPNL-VIFPVBQESA-N 0 3 269.301 -1.682 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N[C@@H]1CCN(CCO)C1 ZINC001016207755 657203788 /nfs/dbraw/zinc/20/37/88/657203788.db2.gz GXTUZGGAOMQPNL-SECBINFHSA-N 0 3 269.301 -1.682 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016209240 657203901 /nfs/dbraw/zinc/20/39/01/657203901.db2.gz SDIRECVCMAFQGI-VHSXEESVSA-N 0 3 283.328 -1.293 20 0 CAADHN Cn1cc(C(=O)N[C@H]2CCN(CCCO)C2)c(=O)[nH]c1=O ZINC001016240886 657204654 /nfs/dbraw/zinc/20/46/54/657204654.db2.gz VVTDGYUDXMIUBZ-VIFPVBQESA-N 0 3 296.327 -1.328 20 0 CAADHN CN(C(=O)[C@@H]1CCCN1C)C1CC(NC(=O)C(N)=O)C1 ZINC001016330085 657205575 /nfs/dbraw/zinc/20/55/75/657205575.db2.gz LGBVLEBYFWACNH-RTBKNWGFSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016355189 657208999 /nfs/dbraw/zinc/20/89/99/657208999.db2.gz UIRCGRJYACYDNI-VHSXEESVSA-N 0 3 282.344 -1.091 20 0 CAADHN CC(C)N1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016341540 657209575 /nfs/dbraw/zinc/20/95/75/657209575.db2.gz PDNLJSRIWOHAGG-VIFPVBQESA-N 0 3 280.332 -1.024 20 0 CAADHN CN(C(=O)CN1CCCC1)C1CC(NC(=O)C(N)=O)C1 ZINC001016530975 657211505 /nfs/dbraw/zinc/21/15/05/657211505.db2.gz GRMVSLQVZKGGFS-UHFFFAOYSA-N 0 3 282.344 -1.327 20 0 CAADHN CC[C@@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016802223 657212291 /nfs/dbraw/zinc/21/22/91/657212291.db2.gz DGLQUUZABCMKHD-IUCAKERBSA-N 0 3 282.344 -1.294 20 0 CAADHN CC[C@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016802224 657212548 /nfs/dbraw/zinc/21/25/48/657212548.db2.gz DGLQUUZABCMKHD-RKDXNWHRSA-N 0 3 282.344 -1.294 20 0 CAADHN CN1CC[C@H](N2CCC3(C[C@@H]3NC(=O)C(N)=O)CC2)C1=O ZINC001016801796 657213298 /nfs/dbraw/zinc/21/32/98/657213298.db2.gz AZIKITCXRWTMBK-UWVGGRQHSA-N 0 3 294.355 -1.327 20 0 CAADHN NC(=O)CN1CCC2(C[C@@H]2NC(=O)c2nnc[nH]2)CC1 ZINC001016884418 657214684 /nfs/dbraw/zinc/21/46/84/657214684.db2.gz MWFLRMZFDMUSHZ-QMMMGPOBSA-N 0 3 278.316 -1.126 20 0 CAADHN CNC(=O)[C@@H](C)N1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016805372 657215083 /nfs/dbraw/zinc/21/50/83/657215083.db2.gz XCGIGFHOMCCOTR-RKDXNWHRSA-N 0 3 282.344 -1.423 20 0 CAADHN CN(C[C@@H]1CCCN(C(=O)CC(N)=O)C1)[C@H]1CCNC1=O ZINC001017082603 657217581 /nfs/dbraw/zinc/21/75/81/657217581.db2.gz TZQXERNPXWWOCF-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)[C@@H]1CCN(C)C1=O ZINC001017196711 657218741 /nfs/dbraw/zinc/21/87/41/657218741.db2.gz GKFWJARWPXJFKT-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C[C@@H]1CCCN(C(=O)CC(N)=O)C1)[C@@H]1CCNC1=O ZINC001017082606 657218912 /nfs/dbraw/zinc/21/89/12/657218912.db2.gz TZQXERNPXWWOCF-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN COCC(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001018373567 657226788 /nfs/dbraw/zinc/22/67/88/657226788.db2.gz DLEHIZRZNDWUEX-IUCAKERBSA-N 0 3 269.301 -1.372 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018480300 657228803 /nfs/dbraw/zinc/22/88/03/657228803.db2.gz RMMINXQWMJUNOJ-IUCAKERBSA-N 0 3 279.304 -2.248 20 0 CAADHN CC(=O)N1CC[C@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC001018381783 657228841 /nfs/dbraw/zinc/22/88/41/657228841.db2.gz ARJWUUAKXGMEBH-JTQLQIEISA-N 0 3 280.328 -1.206 20 0 CAADHN Cn1cncc1CN[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001018480568 657229203 /nfs/dbraw/zinc/22/92/03/657229203.db2.gz VOPRIXMGKKAJFC-JTQLQIEISA-N 0 3 290.331 -1.203 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1)C(N)=O ZINC001018462855 657229577 /nfs/dbraw/zinc/22/95/77/657229577.db2.gz NLORSGUEDPGKFL-ONGXEEELSA-N 0 3 278.312 -1.002 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)C2=COCCO2)C1)C(N)=O ZINC001018459390 657229783 /nfs/dbraw/zinc/22/97/83/657229783.db2.gz GLDHGGPFMYADOA-IUCAKERBSA-N 0 3 269.301 -1.061 20 0 CAADHN CC(=O)N1CC[C@H](NCC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC001018382664 657229889 /nfs/dbraw/zinc/22/98/89/657229889.db2.gz NRRROXOQWCJSHF-NEPJUHHUSA-N 0 3 296.371 -1.079 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)Cn3cnnn3)C2)n[nH]1 ZINC001018479291 657230019 /nfs/dbraw/zinc/23/00/19/657230019.db2.gz CCYFKJZPMAQCEO-VIFPVBQESA-N 0 3 291.319 -1.510 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)C2=COCCO2)C1)C(N)=O ZINC001018459385 657230445 /nfs/dbraw/zinc/23/04/45/657230445.db2.gz GLDHGGPFMYADOA-BDAKNGLRSA-N 0 3 269.301 -1.061 20 0 CAADHN CC(=O)N1CC[C@H](NCC(=O)N2CCN(C(C)=O)CC2)C1 ZINC001018378536 657230961 /nfs/dbraw/zinc/23/09/61/657230961.db2.gz LGGNOPRZRUDCAQ-ZDUSSCGKSA-N 0 3 296.371 -1.113 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001018504897 657231564 /nfs/dbraw/zinc/23/15/64/657231564.db2.gz YDCVMZSNNMSTLG-VIFPVBQESA-N 0 3 251.290 -1.441 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2cnnn2)C1)C(N)=O ZINC001018482406 657231725 /nfs/dbraw/zinc/23/17/25/657231725.db2.gz RVEJJHRPMNBSIC-YUMQZZPRSA-N 0 3 267.293 -2.263 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)N1CCC1 ZINC001018621348 657231766 /nfs/dbraw/zinc/23/17/66/657231766.db2.gz GDVYXUMRXGHBNN-WDEREUQCSA-N 0 3 294.355 -1.312 20 0 CAADHN O=C(CN1CCCC1=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018485914 657232373 /nfs/dbraw/zinc/23/23/73/657232373.db2.gz TVUVOWVKMNQKIS-QWRGUYRKSA-N 0 3 294.355 -1.312 20 0 CAADHN O=C(Cn1cccn1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018504179 657232518 /nfs/dbraw/zinc/23/25/18/657232518.db2.gz QGHCSZIRKXDVQU-QWRGUYRKSA-N 0 3 277.328 -1.038 20 0 CAADHN O=C(CCn1cncn1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018518693 657232534 /nfs/dbraw/zinc/23/25/34/657232534.db2.gz XTTHEMDZSJPNOK-QWRGUYRKSA-N 0 3 292.343 -1.253 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1)N1CCC1 ZINC001018547670 657232652 /nfs/dbraw/zinc/23/26/52/657232652.db2.gz ZXNLWPZLONKGQC-RYUDHWBXSA-N 0 3 297.355 -1.175 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CS(C)(=O)=O)C1)C(N)=O ZINC001018586047 657233213 /nfs/dbraw/zinc/23/32/13/657233213.db2.gz NJWXHIXKWZGLIO-YUMQZZPRSA-N 0 3 277.346 -1.905 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001018481315 657233500 /nfs/dbraw/zinc/23/35/00/657233500.db2.gz JFRNMGXKJAOURK-UWVGGRQHSA-N 0 3 293.331 -1.858 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CS(C)(=O)=O)C1)C(N)=O ZINC001018586044 657233809 /nfs/dbraw/zinc/23/38/09/657233809.db2.gz NJWXHIXKWZGLIO-SFYZADRCSA-N 0 3 277.346 -1.905 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2cccn2)C1)C(N)=O ZINC001018503049 657233872 /nfs/dbraw/zinc/23/38/72/657233872.db2.gz IGAJHOPOQHKFBV-UWVGGRQHSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2cccn2)C1)C(N)=O ZINC001018503050 657234052 /nfs/dbraw/zinc/23/40/52/657234052.db2.gz IGAJHOPOQHKFBV-ZJUUUORDSA-N 0 3 265.317 -1.053 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)C(N)=O ZINC001018622959 657235007 /nfs/dbraw/zinc/23/50/07/657235007.db2.gz VSBOGXIFXNOQIM-LPEHRKFASA-N 0 3 282.344 -1.281 20 0 CAADHN Cn1nccc1CN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001018648543 657235922 /nfs/dbraw/zinc/23/59/22/657235922.db2.gz HTSHZRXPZWBVNF-VIFPVBQESA-N 0 3 265.317 -1.014 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)C(N)=O ZINC001018621548 657236007 /nfs/dbraw/zinc/23/60/07/657236007.db2.gz KUDPSBRKRAQTHR-XHNCKOQMSA-N 0 3 268.317 -1.671 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001018624787 657236172 /nfs/dbraw/zinc/23/61/72/657236172.db2.gz NUTBCUDARWNIMY-JGVFFNPUSA-N 0 3 254.290 -2.059 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@H](NCc2nnnn2C)C1 ZINC001018628941 657236669 /nfs/dbraw/zinc/23/66/69/657236669.db2.gz UEHSEWWXEUUBKU-WDEREUQCSA-N 0 3 293.375 -1.005 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)CC(N)=O)C1)C(N)=O ZINC001018648963 657236731 /nfs/dbraw/zinc/23/67/31/657236731.db2.gz NWOKVLIAVOPDMU-YUMQZZPRSA-N 0 3 256.306 -1.684 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC001018648969 657236930 /nfs/dbraw/zinc/23/69/30/657236930.db2.gz OCUSSPLRGXQTIO-DTWKUNHWSA-N 0 3 268.317 -1.717 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)C(N)=O ZINC001018622957 657237000 /nfs/dbraw/zinc/23/70/00/657237000.db2.gz VSBOGXIFXNOQIM-IVZWLZJFSA-N 0 3 282.344 -1.281 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)C1=O ZINC001018621801 657237079 /nfs/dbraw/zinc/23/70/79/657237079.db2.gz MIKOMKPLMCMFJD-HBNTYKKESA-N 0 3 294.355 -1.314 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018624167 657237468 /nfs/dbraw/zinc/23/74/68/657237468.db2.gz IULNMRJNFXJWBK-IVZWLZJFSA-N 0 3 280.328 -1.656 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001018645534 657237925 /nfs/dbraw/zinc/23/79/25/657237925.db2.gz ACRFPWOANRYLTQ-JTQLQIEISA-N 0 3 298.343 -2.089 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001018646675 657237960 /nfs/dbraw/zinc/23/79/60/657237960.db2.gz LOAQNXMYNHQFCO-DTWKUNHWSA-N 0 3 268.317 -1.669 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CN2CN=NC2=O)C1)C(N)=O ZINC001018745779 657239788 /nfs/dbraw/zinc/23/97/88/657239788.db2.gz VEFHMCBSLPTWFO-YUMQZZPRSA-N 0 3 282.304 -1.952 20 0 CAADHN C[C@@H](C(=O)N1CC[C@H](NCC(N)=O)C1)n1cncn1 ZINC001018739712 657239009 /nfs/dbraw/zinc/23/90/09/657239009.db2.gz IKOYHOYQLDTWNL-IUCAKERBSA-N 0 3 266.305 -1.485 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)c1N ZINC001018749547 657239356 /nfs/dbraw/zinc/23/93/56/657239356.db2.gz ULDHZHSTTAEDDP-WCBMZHEXSA-N 0 3 292.343 -1.305 20 0 CAADHN Cc1c(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)nnn1C ZINC001018658297 657239489 /nfs/dbraw/zinc/23/94/89/657239489.db2.gz AMMOTWGWICYHOR-UWVGGRQHSA-N 0 3 292.343 -1.184 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001018732589 657239641 /nfs/dbraw/zinc/23/96/41/657239641.db2.gz JFNMKJZVARAEOG-JTQLQIEISA-N 0 3 270.333 -2.006 20 0 CAADHN CN1CCO[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001018666021 657240093 /nfs/dbraw/zinc/24/00/93/657240093.db2.gz YXWFGNAZWYXCGN-UWVGGRQHSA-N 0 3 270.333 -2.007 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CN2CCOCC2)C1)C(N)=O ZINC001018731645 657240128 /nfs/dbraw/zinc/24/01/28/657240128.db2.gz BOELFFSKQDTVIP-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN O=C(CN1CN=NC1=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018748361 657240554 /nfs/dbraw/zinc/24/05/54/657240554.db2.gz WXQIAHGVFPZAIZ-DTWKUNHWSA-N 0 3 294.315 -1.937 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001018718945 657241734 /nfs/dbraw/zinc/24/17/34/657241734.db2.gz MRTUUCKPHYWGHB-BDAKNGLRSA-N 0 3 269.301 -1.385 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018648972 657241787 /nfs/dbraw/zinc/24/17/87/657241787.db2.gz OERPYBWUXPOPLN-VIFPVBQESA-N 0 3 268.317 -1.715 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001018795171 657242260 /nfs/dbraw/zinc/24/22/60/657242260.db2.gz QZPQNLRXBCCHRE-VHSXEESVSA-N 0 3 292.343 -1.102 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001018769369 657242603 /nfs/dbraw/zinc/24/26/03/657242603.db2.gz LJCAYSJOHDDLGL-JTQLQIEISA-N 0 3 268.317 -1.860 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)C1 ZINC001018769750 657243411 /nfs/dbraw/zinc/24/34/11/657243411.db2.gz WDYVMONIURCOKR-RYUDHWBXSA-N 0 3 294.355 -1.456 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1)N1CCC1 ZINC001018793495 657244128 /nfs/dbraw/zinc/24/41/28/657244128.db2.gz SOTRUWAFQLXUJQ-VHSXEESVSA-N 0 3 296.327 -1.482 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)C2)C1 ZINC001018771213 657244451 /nfs/dbraw/zinc/24/44/51/657244451.db2.gz QRUZSZFSDGIYGB-KCJUWKMLSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cn(C)nn2)C1)C(N)=O ZINC001018807560 657244596 /nfs/dbraw/zinc/24/45/96/657244596.db2.gz WJZILYBYJTYNCD-SFYZADRCSA-N 0 3 266.305 -1.507 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)n[nH]1 ZINC001018787520 657244641 /nfs/dbraw/zinc/24/46/41/657244641.db2.gz KRJUORLPNCISNO-IUCAKERBSA-N 0 3 294.315 -1.088 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001018772014 657244718 /nfs/dbraw/zinc/24/47/18/657244718.db2.gz YJZIEWBLCBYIFU-VIFPVBQESA-N 0 3 266.305 -1.656 20 0 CAADHN Cn1oc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)cc1=O ZINC001018774486 657244762 /nfs/dbraw/zinc/24/47/62/657244762.db2.gz IRWCZUUTTYGKBG-DTWKUNHWSA-N 0 3 294.311 -1.329 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001018791967 657244857 /nfs/dbraw/zinc/24/48/57/657244857.db2.gz CYWJSCBKBHZIEC-NKWVEPMBSA-N 0 3 256.262 -2.229 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001018791955 657244980 /nfs/dbraw/zinc/24/49/80/657244980.db2.gz CYWJSCBKBHZIEC-BQBZGAKWSA-N 0 3 256.262 -2.229 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)c2ncn(C)n2)C1)C(N)=O ZINC001018803458 657245424 /nfs/dbraw/zinc/24/54/24/657245424.db2.gz QBLHLNWPAYMMOB-IUCAKERBSA-N 0 3 280.332 -1.117 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001018800446 657245486 /nfs/dbraw/zinc/24/54/86/657245486.db2.gz PDTLFPFTCCERIR-HOSYDEDBSA-N 0 3 297.355 -1.001 20 0 CAADHN O=C(CCn1ccnn1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018770750 657245601 /nfs/dbraw/zinc/24/56/01/657245601.db2.gz KLGABWKQYSCTJR-WDEREUQCSA-N 0 3 292.343 -1.253 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)Cn2ncnn2)C1)C(N)=O ZINC001018853137 657246123 /nfs/dbraw/zinc/24/61/23/657246123.db2.gz SHLRVUDOULLQCY-DTWKUNHWSA-N 0 3 281.320 -1.873 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](N[C@H](C)C(N)=O)C2)[nH]1 ZINC001018827541 657246378 /nfs/dbraw/zinc/24/63/78/657246378.db2.gz UYPGSIQFVGTRGW-APPZFPTMSA-N 0 3 280.332 -1.280 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)c2cn(C)nn2)C1)C(N)=O ZINC001018808752 657246557 /nfs/dbraw/zinc/24/65/57/657246557.db2.gz PMVVUSODNORIBK-DTWKUNHWSA-N 0 3 280.332 -1.117 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)n1 ZINC001018808407 657247187 /nfs/dbraw/zinc/24/71/87/657247187.db2.gz FPXCSARWJNOPIT-IUCAKERBSA-N 0 3 278.316 -1.492 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2ncnn2)C1)C(N)=O ZINC001018851902 657247390 /nfs/dbraw/zinc/24/73/90/657247390.db2.gz XFMRYJDAJVNQGZ-SFYZADRCSA-N 0 3 267.293 -2.263 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)o1 ZINC001018807766 657247539 /nfs/dbraw/zinc/24/75/39/657247539.db2.gz ZWBSXEMJHZLANP-UWVGGRQHSA-N 0 3 293.327 -1.000 20 0 CAADHN Cn1cncc1CN[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001018849881 657248273 /nfs/dbraw/zinc/24/82/73/657248273.db2.gz KHFOFZGCWIPVQU-JTQLQIEISA-N 0 3 290.331 -1.203 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)[nH]1 ZINC001018826863 657248388 /nfs/dbraw/zinc/24/83/88/657248388.db2.gz MMUJBWLCHAVGTC-VHSXEESVSA-N 0 3 292.343 -1.265 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018851126 657248500 /nfs/dbraw/zinc/24/85/00/657248500.db2.gz MDCGTNQWVVPVOI-IUCAKERBSA-N 0 3 279.304 -2.248 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)o1 ZINC001018807767 657248546 /nfs/dbraw/zinc/24/85/46/657248546.db2.gz ZWBSXEMJHZLANP-VHSXEESVSA-N 0 3 293.327 -1.000 20 0 CAADHN CN1CC[C@H](N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC001018852367 657248722 /nfs/dbraw/zinc/24/87/22/657248722.db2.gz HJQGQLKFMSTUKZ-UWVGGRQHSA-N 0 3 293.331 -1.906 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018814837 657248894 /nfs/dbraw/zinc/24/88/94/657248894.db2.gz YPKNHNRKCOMBFD-QMMMGPOBSA-N 0 3 266.305 -1.413 20 0 CAADHN O=C(Cn1nccn1)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001018915529 657250002 /nfs/dbraw/zinc/25/00/02/657250002.db2.gz FPGAWFSAAYTLFO-WDEREUQCSA-N 0 3 292.343 -1.253 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001018915587 657250287 /nfs/dbraw/zinc/25/02/87/657250287.db2.gz IQUAWALHBFFOHA-QMMMGPOBSA-N 0 3 252.278 -2.046 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001018870536 657250402 /nfs/dbraw/zinc/25/04/02/657250402.db2.gz PJVIBXLJBYYHMS-ZETCQYMHSA-N 0 3 295.303 -2.947 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCn2ccccc2=O)C1 ZINC001018937099 657250603 /nfs/dbraw/zinc/25/06/03/657250603.db2.gz KFBZAFBTSBGXPF-NSHDSACASA-N 0 3 292.339 -1.086 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCN(C(=O)Cn3nccn3)C2)C1=O ZINC001018914458 657250619 /nfs/dbraw/zinc/25/06/19/657250619.db2.gz LPOIUVAXAIYWNB-WDEREUQCSA-N 0 3 292.343 -1.301 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CN2CCOCC2=O)C1)C(N)=O ZINC001018974941 657251213 /nfs/dbraw/zinc/25/12/13/657251213.db2.gz STNGFGNSVHXOCP-UWVGGRQHSA-N 0 3 298.343 -2.091 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001019004826 657251239 /nfs/dbraw/zinc/25/12/39/657251239.db2.gz AJNVRDSHSWHGCR-QMMMGPOBSA-N 0 3 265.273 -1.528 20 0 CAADHN O=C(c1cn[nH]c(=O)c1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019004993 657251408 /nfs/dbraw/zinc/25/14/08/657251408.db2.gz JFMDKGTUXCPCEA-VHSXEESVSA-N 0 3 291.311 -1.125 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)C1=O ZINC001018997990 657251430 /nfs/dbraw/zinc/25/14/30/657251430.db2.gz JWRHGEORHLJUKA-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(N)=O ZINC001018983990 657251511 /nfs/dbraw/zinc/25/15/11/657251511.db2.gz OEEOVYZFOPDKSU-CSMHCCOUSA-N 0 3 297.315 -2.351 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1)C(N)=O ZINC001019004951 657251560 /nfs/dbraw/zinc/25/15/60/657251560.db2.gz GYBRCGFPJADOHR-APPZFPTMSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CN2CCOCC2=O)C1)C(N)=O ZINC001018974942 657251614 /nfs/dbraw/zinc/25/16/14/657251614.db2.gz STNGFGNSVHXOCP-ZJUUUORDSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1)C(N)=O ZINC001019004952 657251873 /nfs/dbraw/zinc/25/18/73/657251873.db2.gz GYBRCGFPJADOHR-CBAPKCEASA-N 0 3 279.300 -1.140 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N2CC[C@H](NCCF)C2)c1=O ZINC001018939667 657251992 /nfs/dbraw/zinc/25/19/92/657251992.db2.gz SKYWRVGSSSMWIK-JTQLQIEISA-N 0 3 298.318 -1.293 20 0 CAADHN Cc1c(CC(=O)N2CC[C@H](NCC(N)=O)C2)cnn1C ZINC001018952737 657252079 /nfs/dbraw/zinc/25/20/79/657252079.db2.gz GTMIHCHMECFPEA-NSHDSACASA-N 0 3 279.344 -1.053 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1)C(N)=O ZINC001018974580 657252397 /nfs/dbraw/zinc/25/23/97/657252397.db2.gz KRBLVMKCGUAOFT-IUCAKERBSA-N 0 3 293.327 -1.047 20 0 CAADHN O=C([C@H]1CCCC(=O)N1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019013030 657253024 /nfs/dbraw/zinc/25/30/24/657253024.db2.gz NHBADLCWKQUOPL-GARJFASQSA-N 0 3 294.355 -1.266 20 0 CAADHN O=C(c1cnc[n-]c1=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019017034 657253079 /nfs/dbraw/zinc/25/30/79/657253079.db2.gz KLVGGBREWGWNHD-WCBMZHEXSA-N 0 3 291.311 -1.125 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1)C(N)=O ZINC001019009739 657253140 /nfs/dbraw/zinc/25/31/40/657253140.db2.gz NCTIMXPPPXFGSV-KXUCPTDWSA-N 0 3 282.344 -1.281 20 0 CAADHN Cn1cnn(CC(=O)N2CC[C@H](NCC(N)=O)C2)c1=O ZINC001019063517 657253304 /nfs/dbraw/zinc/25/33/04/657253304.db2.gz WIUDICYNFFVLHF-QMMMGPOBSA-N 0 3 282.304 -2.742 20 0 CAADHN Cn1ccc(C(=O)N2CC[C@H](NCC(N)=O)C2)cc1=O ZINC001019053709 657253933 /nfs/dbraw/zinc/25/39/33/657253933.db2.gz CNPPLUGYDFDQKU-JTQLQIEISA-N 0 3 278.312 -1.325 20 0 CAADHN CC(=O)N1CCC[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019111576 657254600 /nfs/dbraw/zinc/25/46/00/657254600.db2.gz XMLWKTDJDXKNPW-RYUDHWBXSA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001019121127 657254734 /nfs/dbraw/zinc/25/47/34/657254734.db2.gz FXDHLORBHCZMIT-ZETCQYMHSA-N 0 3 280.284 -1.332 20 0 CAADHN Cc1cc(CC(=O)N2CC[C@H](NCC(N)=O)C2)n(C)n1 ZINC001019142614 657254896 /nfs/dbraw/zinc/25/48/96/657254896.db2.gz RMLIMZAJYQNSJR-JTQLQIEISA-N 0 3 279.344 -1.053 20 0 CAADHN COc1coc(C(=O)N2CC[C@H](NCC(N)=O)C2)cc1=O ZINC001019149112 657255356 /nfs/dbraw/zinc/25/53/56/657255356.db2.gz NJAPJKJCWVQMLZ-QMMMGPOBSA-N 0 3 295.295 -1.062 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)ncc1=O ZINC001019166972 657255401 /nfs/dbraw/zinc/25/54/01/657255401.db2.gz CIKGYIHZBDFDCA-QMMMGPOBSA-N 0 3 279.300 -1.930 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001019103777 657255598 /nfs/dbraw/zinc/25/55/98/657255598.db2.gz GPYRGHDHJMNQEP-QMMMGPOBSA-N 0 3 295.299 -2.375 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001019113793 657255956 /nfs/dbraw/zinc/25/59/56/657255956.db2.gz GTBDYAHZLIMMEB-ZJUUUORDSA-N 0 3 297.359 -1.547 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001019188406 657256045 /nfs/dbraw/zinc/25/60/45/657256045.db2.gz OYZSXOVZUHIXAW-QMMMGPOBSA-N 0 3 280.284 -1.332 20 0 CAADHN Cn1c(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)c[nH]c1=O ZINC001019239006 657256416 /nfs/dbraw/zinc/25/64/16/657256416.db2.gz BAOUIDYIDQAXPS-IUCAKERBSA-N 0 3 293.327 -1.182 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019247795 657256577 /nfs/dbraw/zinc/25/65/77/657256577.db2.gz IGZNPYOGDWUAIE-AXFHLTTASA-N 0 3 294.355 -1.314 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019225099 657256987 /nfs/dbraw/zinc/25/69/87/657256987.db2.gz OQUYPIBRSRAAAA-ZETCQYMHSA-N 0 3 252.278 -1.597 20 0 CAADHN CO[C@@H](C(=O)N1CC[C@H](NCC(N)=O)C1)c1cnn(C)c1 ZINC001019195879 657257017 /nfs/dbraw/zinc/25/70/17/657257017.db2.gz MAFZFHVQRGPENI-CMPLNLGQSA-N 0 3 295.343 -1.217 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019248078 657257065 /nfs/dbraw/zinc/25/70/65/657257065.db2.gz RINLFNRLWOAHLC-IUCAKERBSA-N 0 3 268.317 -1.717 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001019234753 657257201 /nfs/dbraw/zinc/25/72/01/657257201.db2.gz RPSNSPGDQQPNEF-YUMQZZPRSA-N 0 3 254.290 -2.202 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001019212913 657257981 /nfs/dbraw/zinc/25/79/81/657257981.db2.gz UDSXROYGRLREIY-JTQLQIEISA-N 0 3 265.317 -1.051 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001019224574 657258075 /nfs/dbraw/zinc/25/80/75/657258075.db2.gz XHTGGSMQXMXDDR-SFYZADRCSA-N 0 3 266.305 -1.209 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001019194157 657258087 /nfs/dbraw/zinc/25/80/87/657258087.db2.gz VAKQILUTNAJBSC-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1)N1CCC1 ZINC001019234636 657258279 /nfs/dbraw/zinc/25/82/79/657258279.db2.gz NSMMMKVGPHIELN-QWRGUYRKSA-N 0 3 294.355 -1.455 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCc3nn[nH]c32)C1 ZINC001019299482 657258905 /nfs/dbraw/zinc/25/89/05/657258905.db2.gz QMUKDZINVCPBRT-DTWKUNHWSA-N 0 3 292.343 -1.100 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001019309179 657258993 /nfs/dbraw/zinc/25/89/93/657258993.db2.gz ROZHVJXGKUOOMB-NKWVEPMBSA-N 0 3 255.278 -2.656 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019276159 657259430 /nfs/dbraw/zinc/25/94/30/657259430.db2.gz IGZNPYOGDWUAIE-HBNTYKKESA-N 0 3 294.355 -1.314 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1)C(N)=O ZINC001019277618 657259720 /nfs/dbraw/zinc/25/97/20/657259720.db2.gz IOTIXIUNZUKVGY-KXUCPTDWSA-N 0 3 282.344 -1.329 20 0 CAADHN CN1CC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1=O ZINC001019262553 657259773 /nfs/dbraw/zinc/25/97/73/657259773.db2.gz TVOSIWFPRWGCNL-DTWKUNHWSA-N 0 3 268.317 -1.860 20 0 CAADHN CC(C)N1CCO[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019285256 657260011 /nfs/dbraw/zinc/26/00/11/657260011.db2.gz GPHOFGXMALNLEX-NWDGAFQWSA-N 0 3 298.387 -1.229 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001019258781 657260159 /nfs/dbraw/zinc/26/01/59/657260159.db2.gz QZIDTEMYFGPSCE-LURJTMIESA-N 0 3 253.266 -2.501 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)c2nnn(C)n2)C1)C(N)=O ZINC001019258524 657260241 /nfs/dbraw/zinc/26/02/41/657260241.db2.gz DIWUUIKMRQSWNH-YUMQZZPRSA-N 0 3 281.320 -1.722 20 0 CAADHN O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019263723 657260355 /nfs/dbraw/zinc/26/03/55/657260355.db2.gz PBBVEXXMRLJRCV-HHHUOAJASA-N 0 3 279.340 -1.042 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)N1CCC1 ZINC001019307686 657260377 /nfs/dbraw/zinc/26/03/77/657260377.db2.gz QBTPMWYCVUHOER-VHSXEESVSA-N 0 3 295.343 -1.909 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019276158 657260549 /nfs/dbraw/zinc/26/05/49/657260549.db2.gz IGZNPYOGDWUAIE-GARJFASQSA-N 0 3 294.355 -1.314 20 0 CAADHN O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019263724 657260629 /nfs/dbraw/zinc/26/06/29/657260629.db2.gz PBBVEXXMRLJRCV-PREPNJAASA-N 0 3 279.340 -1.042 20 0 CAADHN Cn1cc(CN[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cn1 ZINC001019309331 657261734 /nfs/dbraw/zinc/26/17/34/657261734.db2.gz WXWGWMRPIGAXKK-WDEREUQCSA-N 0 3 292.343 -1.208 20 0 CAADHN Cn1cncc1CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001019309024 657262158 /nfs/dbraw/zinc/26/21/58/657262158.db2.gz NPGDPLDMGOOTJZ-GXSJLCMTSA-N 0 3 292.343 -1.208 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)n[nH]1 ZINC001019309254 657262630 /nfs/dbraw/zinc/26/26/30/657262630.db2.gz UOBSBDMTBFKQKV-DTWKUNHWSA-N 0 3 293.331 -1.515 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)C(N)=O ZINC001019315961 657264261 /nfs/dbraw/zinc/26/42/61/657264261.db2.gz ZVDAFAJYIQMLAQ-IUCAKERBSA-N 0 3 282.344 -1.294 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1)C(N)=O ZINC001019329023 657264311 /nfs/dbraw/zinc/26/43/11/657264311.db2.gz TYQIWYKJRFOOHO-SFYZADRCSA-N 0 3 281.316 -1.196 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)CC1 ZINC001019317054 657264789 /nfs/dbraw/zinc/26/47/89/657264789.db2.gz MUZCUMZCRQOHDZ-JTQLQIEISA-N 0 3 294.355 -1.325 20 0 CAADHN CC[C@@H](C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1)N(C)C ZINC001019355453 657266026 /nfs/dbraw/zinc/26/60/26/657266026.db2.gz WWTZWEOVAPWHPG-JTQLQIEISA-N 0 3 296.371 -1.127 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001019368446 657267678 /nfs/dbraw/zinc/26/76/78/657267678.db2.gz UPKIJHSMKUSDTG-UWVGGRQHSA-N 0 3 282.344 -1.279 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CCc2cnn(C)n2)C1)C(N)=O ZINC001019392850 657268230 /nfs/dbraw/zinc/26/82/30/657268230.db2.gz SBCOMUOVFCVRFL-KOLCDFICSA-N 0 3 294.359 -1.188 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)n[nH]1 ZINC001019390323 657268636 /nfs/dbraw/zinc/26/86/36/657268636.db2.gz CLMLGLXNKFMBOF-AEJSXWLSSA-N 0 3 292.343 -1.075 20 0 CAADHN Cc1ccn(CC(=O)N2CC[C@H](NCC(N)=O)C2)c(=O)c1 ZINC001019451015 657268801 /nfs/dbraw/zinc/26/88/01/657268801.db2.gz ZHKKFVHAZSBLDQ-NSHDSACASA-N 0 3 292.339 -1.167 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001019527441 657269204 /nfs/dbraw/zinc/26/92/04/657269204.db2.gz CCLCGRNSIUCGKT-ZETCQYMHSA-N 0 3 283.288 -2.786 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N1CC[C@H](NCCF)C1 ZINC001019527632 657269225 /nfs/dbraw/zinc/26/92/25/657269225.db2.gz MVRKXFZXQBRZOV-QMMMGPOBSA-N 0 3 272.280 -1.302 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001019518371 657269243 /nfs/dbraw/zinc/26/92/43/657269243.db2.gz LXADFVVFOCBFFP-NSHDSACASA-N 0 3 284.360 -1.616 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](N[C@H]3CCN(C)C3=O)C2)n1 ZINC001019509597 657269397 /nfs/dbraw/zinc/26/93/97/657269397.db2.gz DRDIFGHTGZUWEJ-UWVGGRQHSA-N 0 3 292.343 -1.150 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CCN2CCOCC2)C1)C(N)=O ZINC001019512829 657270235 /nfs/dbraw/zinc/27/02/35/657270235.db2.gz DHASEQALXBSIAN-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CCN2CCOCC2)C1)C(N)=O ZINC001019512830 657270394 /nfs/dbraw/zinc/27/03/94/657270394.db2.gz DHASEQALXBSIAN-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cnn(C)n2)C1)C(N)=O ZINC001019508399 657270762 /nfs/dbraw/zinc/27/07/62/657270762.db2.gz IMVZBRRNCBBIRX-SFYZADRCSA-N 0 3 266.305 -1.507 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)c2nc[nH]n2)C1)N1CCC1 ZINC001019538222 657272374 /nfs/dbraw/zinc/27/23/74/657272374.db2.gz SZORYHUJRDPPEQ-VIFPVBQESA-N 0 3 278.316 -1.159 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001019564482 657272455 /nfs/dbraw/zinc/27/24/55/657272455.db2.gz RPCZCIGYQFEIMW-QMMMGPOBSA-N 0 3 251.290 -1.372 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001019533392 657272583 /nfs/dbraw/zinc/27/25/83/657272583.db2.gz PQTZIJSPVHVCOM-JGVFFNPUSA-N 0 3 264.289 -1.503 20 0 CAADHN O=C(c1nc[nH]n1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019533392 657272588 /nfs/dbraw/zinc/27/25/88/657272588.db2.gz PQTZIJSPVHVCOM-JGVFFNPUSA-N 0 3 264.289 -1.503 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CCn2cnnn2)C1)C(N)=O ZINC001019556493 657272654 /nfs/dbraw/zinc/27/26/54/657272654.db2.gz LXSHPVPYWTYEOU-IUCAKERBSA-N 0 3 281.320 -1.873 20 0 CAADHN CC[C@H]([NH2+][C@H]1CCN(C(=O)c2nc[n-]n2)C1)C(N)=O ZINC001019534632 657272925 /nfs/dbraw/zinc/27/29/25/657272925.db2.gz KISWWNQUEGGWHY-YUMQZZPRSA-N 0 3 266.305 -1.127 20 0 CAADHN CCCn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)nn1 ZINC001019577988 657273018 /nfs/dbraw/zinc/27/30/18/657273018.db2.gz QFBQWWFMZUCQHZ-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019589046 657273148 /nfs/dbraw/zinc/27/31/48/657273148.db2.gz ACDJTJBKCXJVIH-UWVGGRQHSA-N 0 3 293.327 -1.000 20 0 CAADHN CCn1cc(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)C2)nn1 ZINC001019578051 657273301 /nfs/dbraw/zinc/27/33/01/657273301.db2.gz TVECJNNFLQGTBZ-BDAKNGLRSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1)C(N)=O ZINC001019569662 657273695 /nfs/dbraw/zinc/27/36/95/657273695.db2.gz QEIGRDYHCCDCAM-CBAPKCEASA-N 0 3 293.327 -1.209 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001019587144 657273777 /nfs/dbraw/zinc/27/37/77/657273777.db2.gz BETAZUASWAVSMQ-BDAKNGLRSA-N 0 3 281.316 -1.015 20 0 CAADHN CCC(=O)N1CC[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019614613 657274411 /nfs/dbraw/zinc/27/44/11/657274411.db2.gz MZYTXVJURVNXLM-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019678471 657274891 /nfs/dbraw/zinc/27/48/91/657274891.db2.gz IULNMRJNFXJWBK-AEJSXWLSSA-N 0 3 280.328 -1.656 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019678472 657275311 /nfs/dbraw/zinc/27/53/11/657275311.db2.gz IULNMRJNFXJWBK-GUBZILKMSA-N 0 3 280.328 -1.656 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(N)=O ZINC001019678513 657275603 /nfs/dbraw/zinc/27/56/03/657275603.db2.gz KUDPSBRKRAQTHR-CIUDSAMLSA-N 0 3 268.317 -1.671 20 0 CAADHN CN1CCCC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1=O ZINC001019643815 657275769 /nfs/dbraw/zinc/27/57/69/657275769.db2.gz BNZFAWLIZJKHNF-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C)c1ccc(C(=O)N2CC[C@H](NCC(N)=O)C2)nn1 ZINC001019666516 657275968 /nfs/dbraw/zinc/27/59/68/657275968.db2.gz LOJJCIIEACIAQE-VIFPVBQESA-N 0 3 292.343 -1.168 20 0 CAADHN COc1ccc(C(=O)N2CC[C@H](NCC(N)=O)C2)nn1 ZINC001019609555 657276268 /nfs/dbraw/zinc/27/62/68/657276268.db2.gz YZNXKMAMLKYEID-QMMMGPOBSA-N 0 3 279.300 -1.225 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001019752111 657277142 /nfs/dbraw/zinc/27/71/42/657277142.db2.gz GGVZKHMMQVCVPV-YUMQZZPRSA-N 0 3 297.315 -2.350 20 0 CAADHN Cn1nc(C(=O)N2CC[C@H](NCC(N)=O)C2)ccc1=O ZINC001019741422 657277178 /nfs/dbraw/zinc/27/71/78/657277178.db2.gz YANOFFINOHJDPO-QMMMGPOBSA-N 0 3 279.300 -1.930 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001019678674 657277332 /nfs/dbraw/zinc/27/73/32/657277332.db2.gz SCPWLSPZPPPZBD-DCAQKATOSA-N 0 3 294.355 -1.266 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)Cn2cncn2)C1)C(N)=O ZINC001019746658 657277388 /nfs/dbraw/zinc/27/73/88/657277388.db2.gz HAFRZDFMFWMOBG-UWVGGRQHSA-N 0 3 280.332 -1.268 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019745707 657277719 /nfs/dbraw/zinc/27/77/19/657277719.db2.gz QKOVABMVCRKDJS-UWVGGRQHSA-N 0 3 278.316 -1.643 20 0 CAADHN COCCn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)cn1 ZINC001019715309 657277907 /nfs/dbraw/zinc/27/79/07/657277907.db2.gz NJRUKYMPSWINRF-NSHDSACASA-N 0 3 295.343 -1.181 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)C(N)=O ZINC001019753775 657277955 /nfs/dbraw/zinc/27/79/55/657277955.db2.gz VWUFFABXHAAFKA-BDAKNGLRSA-N 0 3 296.327 -1.800 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1)C(N)=O ZINC001019741379 657278075 /nfs/dbraw/zinc/27/80/75/657278075.db2.gz VPTSITYTSQLSEB-IUCAKERBSA-N 0 3 293.327 -1.542 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N1CC[C@H](NCCF)C1 ZINC001019748066 657278268 /nfs/dbraw/zinc/27/82/68/657278268.db2.gz OLSUEUCTZUFRNR-QMMMGPOBSA-N 0 3 272.280 -1.302 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2cncn2)C1)C(N)=O ZINC001019745389 657278467 /nfs/dbraw/zinc/27/84/67/657278467.db2.gz KLOBPTBBQADBIE-IUCAKERBSA-N 0 3 266.305 -1.658 20 0 CAADHN Cc1ccc(=O)n(CC(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001019688782 657278612 /nfs/dbraw/zinc/27/86/12/657278612.db2.gz WFAHXJLMIHBHRB-JTQLQIEISA-N 0 3 293.327 -1.772 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019712934 657278716 /nfs/dbraw/zinc/27/87/16/657278716.db2.gz IOOZTTYFHFGXOE-QWRGUYRKSA-N 0 3 282.344 -1.469 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019800365 657279321 /nfs/dbraw/zinc/27/93/21/657279321.db2.gz HCDDDJPIDNQPCP-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C2CCN(C(N)=O)CC2)C1 ZINC001019755937 657279497 /nfs/dbraw/zinc/27/94/97/657279497.db2.gz UAWYUGAYDWQEAT-JTQLQIEISA-N 0 3 297.359 -1.547 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019794113 657279641 /nfs/dbraw/zinc/27/96/41/657279641.db2.gz PYCVSQPSNXZBMA-WDEREUQCSA-N 0 3 298.343 -2.091 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019800366 657279823 /nfs/dbraw/zinc/27/98/23/657279823.db2.gz HCDDDJPIDNQPCP-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cccnc2C(N)=O)C1 ZINC001019802584 657279953 /nfs/dbraw/zinc/27/99/53/657279953.db2.gz HQBWNNDCTBFGGO-QMMMGPOBSA-N 0 3 291.311 -1.530 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019794112 657280159 /nfs/dbraw/zinc/28/01/59/657280159.db2.gz PYCVSQPSNXZBMA-QWRGUYRKSA-N 0 3 298.343 -2.091 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CCC1=O ZINC001019826181 657280271 /nfs/dbraw/zinc/28/02/71/657280271.db2.gz GZNZIKRLYHXJBL-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2ccccc2=O)C1)C(N)=O ZINC001019757612 657280304 /nfs/dbraw/zinc/28/03/04/657280304.db2.gz WYJMKOCXXHNHDY-MNOVXSKESA-N 0 3 292.339 -1.087 20 0 CAADHN Cc1nccn1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019777882 657280374 /nfs/dbraw/zinc/28/03/74/657280374.db2.gz CPJAHDJTGCHVHK-JTQLQIEISA-N 0 3 265.317 -1.133 20 0 CAADHN Cc1csc(=O)n1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019763610 657280412 /nfs/dbraw/zinc/28/04/12/657280412.db2.gz QYSSDGQUFHBQBI-VIFPVBQESA-N 0 3 298.368 -1.106 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001019757457 657280513 /nfs/dbraw/zinc/28/05/13/657280513.db2.gz TYHZZABDJLYRRB-JTQLQIEISA-N 0 3 278.312 -1.476 20 0 CAADHN O=C([C@@H]1CCS(=O)(=O)N1)N1CC[C@H](NCCF)C1 ZINC001019787693 657280714 /nfs/dbraw/zinc/28/07/14/657280714.db2.gz ZPPJPWARPIWVDU-IUCAKERBSA-N 0 3 279.337 -1.162 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1)C(N)=O ZINC001019779017 657280759 /nfs/dbraw/zinc/28/07/59/657280759.db2.gz HVKDMMNIGIDSQU-CBAPKCEASA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1)C(N)=O ZINC001019753776 657280792 /nfs/dbraw/zinc/28/07/92/657280792.db2.gz VWUFFABXHAAFKA-IUCAKERBSA-N 0 3 296.327 -1.800 20 0 CAADHN CC(=O)N[C@H]1C[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001019903476 657281594 /nfs/dbraw/zinc/28/15/94/657281594.db2.gz BOWFMLOFXAWBLS-MGCOHNPYSA-N 0 3 268.317 -1.799 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1)C(N)=O ZINC001019892673 657281968 /nfs/dbraw/zinc/28/19/68/657281968.db2.gz UDBZZGOJULKFBA-SRVKXCTJSA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2ccnc2)C1)C(N)=O ZINC001019867824 657282274 /nfs/dbraw/zinc/28/22/74/657282274.db2.gz MBYNPCQSQHEMCC-UWVGGRQHSA-N 0 3 265.317 -1.053 20 0 CAADHN Cn1cnc(C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)n1 ZINC001020127320 657287382 /nfs/dbraw/zinc/28/73/82/657287382.db2.gz CUQZPIRWRBHGRM-KYZUINATSA-N 0 3 290.331 -1.006 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001020121246 657288618 /nfs/dbraw/zinc/28/86/18/657288618.db2.gz FKFJUSLOVNQMPX-NRPADANISA-N 0 3 294.315 -1.340 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001020275240 657293461 /nfs/dbraw/zinc/29/34/61/657293461.db2.gz BXUUMEHVXQSJNR-LJGSYFOKSA-N 0 3 265.273 -1.482 20 0 CAADHN NC(=O)CN[C@H]1C[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001020366137 657293894 /nfs/dbraw/zinc/29/38/94/657293894.db2.gz CXVHCYHAJSFUMM-CIUDSAMLSA-N 0 3 289.357 -1.857 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001095554725 782190906 /nfs/dbraw/zinc/19/09/06/782190906.db2.gz WTGOERDYHLPMCK-KATARQTJSA-N 0 3 296.327 -1.702 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)c1nc[n-]n1 ZINC001276285550 782190988 /nfs/dbraw/zinc/19/09/88/782190988.db2.gz FILDPXWQAYYFAF-MRVPVSSYSA-N 0 3 268.321 -1.009 20 0 CAADHN CCNC(=O)N1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC000686120002 782193837 /nfs/dbraw/zinc/19/38/37/782193837.db2.gz SHZBMYNLDHLBOU-LLVKDONJSA-N 0 3 283.376 -1.236 20 0 CAADHN CC(C)CN(CC(N)=O)C(=O)[C@H]1CNCCN1C ZINC000686121626 782194217 /nfs/dbraw/zinc/19/42/17/782194217.db2.gz RYDLMYDFVUYHGI-SNVBAGLBSA-N 0 3 256.350 -1.140 20 0 CAADHN CCNC(=O)CN(CC)C(=O)[C@H]1CNCCN1C ZINC000686121325 782194038 /nfs/dbraw/zinc/19/40/38/782194038.db2.gz PSAPQZXFODUGFF-SNVBAGLBSA-N 0 3 256.350 -1.125 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)[C@H]1CNCCN1C ZINC000686123335 782194100 /nfs/dbraw/zinc/19/41/00/782194100.db2.gz BFPXQKXREWHEQU-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN CCN(CC(=O)N(C)C)C(=O)[C@H]1CNCCN1C ZINC000686120683 782193687 /nfs/dbraw/zinc/19/36/87/782193687.db2.gz ZGDFPCFSAKKUSA-SNVBAGLBSA-N 0 3 256.350 -1.173 20 0 CAADHN CCN(C(=O)[C@H]1CNCCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC000686123133 782194453 /nfs/dbraw/zinc/19/44/53/782194453.db2.gz FDRYVYROIJTGLA-GHMZBOCLSA-N 0 3 289.401 -1.074 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@H](C)NC(N)=O ZINC001420274984 890426786 /nfs/dbraw/zinc/42/67/86/890426786.db2.gz UCYKIHYOVJNKAC-VGMNWLOBSA-N 0 3 285.348 -1.632 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001095867061 782202219 /nfs/dbraw/zinc/20/22/19/782202219.db2.gz ZJEHRAGBFDIRHL-WOPDTQHZSA-N 0 3 296.371 -1.868 20 0 CAADHN NC(=O)NCCCCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114526616 782203614 /nfs/dbraw/zinc/20/36/14/782203614.db2.gz FLMHMRZDJZHOKJ-IAZYJMLFSA-N 0 3 284.360 -1.136 20 0 CAADHN Cc1nnc(CNC[C@H]2CCC[C@@H]2NC(=O)C(N)=O)[nH]1 ZINC001037068235 782206573 /nfs/dbraw/zinc/20/65/73/782206573.db2.gz KQWKTTHAYBPBGL-BDAKNGLRSA-N 0 3 280.332 -1.027 20 0 CAADHN Cn1cc(CNC[C@H]2CCC[C@@H]2NC(=O)C(N)=O)nn1 ZINC001037068648 782206815 /nfs/dbraw/zinc/20/68/15/782206815.db2.gz QCTPYCAZBWVJNV-SCZZXKLOSA-N 0 3 280.332 -1.325 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)n1 ZINC001114692334 782210195 /nfs/dbraw/zinc/21/01/95/782210195.db2.gz FJDQOXUQUHVJHF-MYJAWHEDSA-N 0 3 296.331 -2.121 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114676376 782210257 /nfs/dbraw/zinc/21/02/57/782210257.db2.gz XIOSUDVKJAEXCI-DCQANWLSSA-N 0 3 299.371 -1.447 20 0 CAADHN COC[C@@H](OC)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114810453 782213549 /nfs/dbraw/zinc/21/35/49/782213549.db2.gz RQKMAHWVXBNYOA-YTWAJWBKSA-N 0 3 258.318 -1.314 20 0 CAADHN Cn1ncc(CCC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)n1 ZINC001114843447 782215467 /nfs/dbraw/zinc/21/54/67/782215467.db2.gz OUSUUEWRYMKPHV-PJXYFTJBSA-N 0 3 279.344 -1.214 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1C ZINC001214757699 782215480 /nfs/dbraw/zinc/21/54/80/782215480.db2.gz UFXNHQRJOGXIAV-GMTAPVOTSA-N 0 3 296.371 -1.353 20 0 CAADHN CN(CCCNCc1nnn(C)n1)C(=O)Cc1ncn[nH]1 ZINC001276323705 782214989 /nfs/dbraw/zinc/21/49/89/782214989.db2.gz DQOZKVQFGRHGRN-UHFFFAOYSA-N 0 3 293.335 -1.491 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C)C2)C[C@H]1C ZINC001214757700 782215543 /nfs/dbraw/zinc/21/55/43/782215543.db2.gz UFXNHQRJOGXIAV-OUAUKWLOSA-N 0 3 296.371 -1.353 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21)N(C)C ZINC001114848894 782215792 /nfs/dbraw/zinc/21/57/92/782215792.db2.gz HPPWYWLJZRPQLB-MIZYBKAJSA-N 0 3 268.361 -1.142 20 0 CAADHN CN(CCCNS(=O)(=O)C1CNC1)S(C)(=O)=O ZINC000722110980 782218001 /nfs/dbraw/zinc/21/80/01/782218001.db2.gz HOIFFJPVAHHUGV-UHFFFAOYSA-N 0 3 285.391 -1.841 20 0 CAADHN NC(=O)CC1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000722109775 782218188 /nfs/dbraw/zinc/21/81/88/782218188.db2.gz LFWKINWLMIWSCW-UHFFFAOYSA-N 0 3 261.347 -1.125 20 0 CAADHN C[C@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)C1CNC1 ZINC000722104740 782218222 /nfs/dbraw/zinc/21/82/22/782218222.db2.gz OYGIMTSBQSDAQP-JGVFFNPUSA-N 0 3 261.347 -1.126 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114872078 782221290 /nfs/dbraw/zinc/22/12/90/782221290.db2.gz JMCOQXIEVZDRJM-KXNHARMFSA-N 0 3 269.345 -1.060 20 0 CAADHN CCn1ccc(=O)n(C[C@@H](O)CN(C)CCOC)c1=O ZINC000380633006 782230319 /nfs/dbraw/zinc/23/03/19/782230319.db2.gz IVUWNIOGLGDYMG-NSHDSACASA-N 0 3 285.344 -1.031 20 0 CAADHN COC[C@H](O)CNCCS(=O)(=O)N1CCOCC1 ZINC000381252149 782239527 /nfs/dbraw/zinc/23/95/27/782239527.db2.gz MSOGODNFPHUSIK-SNVBAGLBSA-N 0 3 282.362 -1.755 20 0 CAADHN CNC(=O)[C@@H]1CCCCN1S(=O)(=O)C1CNC1 ZINC000722108782 782254280 /nfs/dbraw/zinc/25/42/80/782254280.db2.gz GGJIJTPCLFAGBN-VIFPVBQESA-N 0 3 261.347 -1.112 20 0 CAADHN CNC(=O)[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000722118014 782252250 /nfs/dbraw/zinc/25/22/50/782252250.db2.gz JRIIVBMIZSLAJD-MRVPVSSYSA-N 0 3 261.347 -1.254 20 0 CAADHN CNC(=O)[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000722118015 782252704 /nfs/dbraw/zinc/25/27/04/782252704.db2.gz JRIIVBMIZSLAJD-QMMMGPOBSA-N 0 3 261.347 -1.254 20 0 CAADHN C[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039426609 782269097 /nfs/dbraw/zinc/26/90/97/782269097.db2.gz LLBUKUWBPHOZSH-BBBLOLIVSA-N 0 3 255.318 -1.082 20 0 CAADHN O=S(=O)(NC[C@H]1C[C@@H]2COC[C@@H]2O1)N1CCNCC1 ZINC000724600986 782269398 /nfs/dbraw/zinc/26/93/98/782269398.db2.gz UAFTZWNYUQPJRC-MXWKQRLJSA-N 0 3 291.373 -1.470 20 0 CAADHN COCC(=O)NCC1(O)CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001041161124 782297843 /nfs/dbraw/zinc/29/78/43/782297843.db2.gz UBFSYCBWIUGNII-LLVKDONJSA-N 0 3 299.371 -1.193 20 0 CAADHN CCCN(C)CC(=O)N1CC(O)(CNC(=O)COC)C1 ZINC001041153923 782296511 /nfs/dbraw/zinc/29/65/11/782296511.db2.gz DJCSVKKLXCVASV-UHFFFAOYSA-N 0 3 287.360 -1.336 20 0 CAADHN CC[C@@H](C(=O)N1CC(O)(CNC(=O)COC)C1)N(C)C ZINC001041153553 782297369 /nfs/dbraw/zinc/29/73/69/782297369.db2.gz HFZJBAGOKFUYGX-JTQLQIEISA-N 0 3 287.360 -1.338 20 0 CAADHN CCN(CC)CC(=O)N1CC(O)(CNC(=O)COC)C1 ZINC001041154938 782298646 /nfs/dbraw/zinc/29/86/46/782298646.db2.gz ULFNHALVLKCXQV-UHFFFAOYSA-N 0 3 287.360 -1.336 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041628325 782314206 /nfs/dbraw/zinc/31/42/06/782314206.db2.gz LFRZBOMLZPMYQF-HZMBPMFUSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041628335 782314258 /nfs/dbraw/zinc/31/42/58/782314258.db2.gz LFRZBOMLZPMYQF-YGRLFVJLSA-N 0 3 296.371 -1.127 20 0 CAADHN CN1CC[C@@H](N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1=O ZINC001041630416 782313849 /nfs/dbraw/zinc/31/38/49/782313849.db2.gz VBFDDLAVQXLIID-QMTHXVAHSA-N 0 3 294.355 -1.373 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041628330 782313971 /nfs/dbraw/zinc/31/39/71/782313971.db2.gz LFRZBOMLZPMYQF-IINYFYTJSA-N 0 3 296.371 -1.127 20 0 CAADHN CN1CC[C@H](N2CC[C@@]3(CCN(C(=O)C(N)=O)C3)C2)C1=O ZINC001041630415 782314768 /nfs/dbraw/zinc/31/47/68/782314768.db2.gz VBFDDLAVQXLIID-IINYFYTJSA-N 0 3 294.355 -1.373 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041628332 782314858 /nfs/dbraw/zinc/31/48/58/782314858.db2.gz LFRZBOMLZPMYQF-QMTHXVAHSA-N 0 3 296.371 -1.127 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041628678 782315236 /nfs/dbraw/zinc/31/52/36/782315236.db2.gz LSSXSSGJGMJPIQ-ZANVPECISA-N 0 3 282.344 -1.340 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H]3CCN(CCO)[C@H]3C2)n1 ZINC001042190109 782325228 /nfs/dbraw/zinc/32/52/28/782325228.db2.gz LIGZEAYMWTULKQ-UWVGGRQHSA-N 0 3 280.332 -1.261 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H]3CCN(CCO)[C@@H]3C2)n1 ZINC001042190112 782324048 /nfs/dbraw/zinc/32/40/48/782324048.db2.gz LIGZEAYMWTULKQ-VHSXEESVSA-N 0 3 280.332 -1.261 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H]2CCN(CCCO)[C@H]2C1 ZINC001042212056 782326885 /nfs/dbraw/zinc/32/68/85/782326885.db2.gz YTSAGILBRRJNDY-UWVGGRQHSA-N 0 3 255.318 -1.223 20 0 CAADHN CNC(=O)CN1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001042545897 782336269 /nfs/dbraw/zinc/33/62/69/782336269.db2.gz LBWTUPRFOCZPGO-LLVKDONJSA-N 0 3 268.361 -1.031 20 0 CAADHN CN(C(=O)[C@@H]1CCCN1C)C1CN(Cc2nnnn2C)C1 ZINC001042546108 782337066 /nfs/dbraw/zinc/33/70/66/782337066.db2.gz QSRFLBWTVYZGCM-NSHDSACASA-N 0 3 293.375 -1.053 20 0 CAADHN CN(C(=O)[C@@H]1CN2CCC[C@@H]2CO1)C1CN(CCO)C1 ZINC001042758542 782345386 /nfs/dbraw/zinc/34/53/86/782345386.db2.gz KUKCEGFSUZRNFV-YPMHNXCESA-N 0 3 283.372 -1.016 20 0 CAADHN CCN(CC)CC(=O)NCC1(O)CN(C(=O)COC)C1 ZINC001043157567 782358122 /nfs/dbraw/zinc/35/81/22/782358122.db2.gz FVCHLALAFYASOT-UHFFFAOYSA-N 0 3 287.360 -1.336 20 0 CAADHN CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)C1CN(CCO)C1 ZINC001043392731 782364583 /nfs/dbraw/zinc/36/45/83/782364583.db2.gz WWNHDSDSPJIGTH-GLWUULTISA-N 0 3 295.383 -1.016 20 0 CAADHN CN(C)C1(C(=O)NCC2(O)CN(C(=O)C(N)=O)C2)CCC1 ZINC001043455245 782365854 /nfs/dbraw/zinc/36/58/54/782365854.db2.gz MVVXLJRJTVFYDT-UHFFFAOYSA-N 0 3 298.343 -2.355 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043429447 782366313 /nfs/dbraw/zinc/36/63/13/782366313.db2.gz BQPGQYQOIUYWLW-UHFFFAOYSA-N 0 3 286.332 -2.499 20 0 CAADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@H]1CNC(=O)N1 ZINC001095948264 782369790 /nfs/dbraw/zinc/36/97/90/782369790.db2.gz SZMVHLYKMUPBEW-YTWAJWBKSA-N 0 3 282.344 -1.228 20 0 CAADHN CC[C@@H](C(=O)NCC1(O)CN(C(=O)C(N)=O)C1)N(C)C ZINC001044043959 782388266 /nfs/dbraw/zinc/38/82/66/782388266.db2.gz ILOJEIPOLOPPSJ-QMMMGPOBSA-N 0 3 286.332 -2.499 20 0 CAADHN CN(C(=O)Cc1ncn[nH]1)C1CN(CCCO)C1 ZINC001044166717 782390523 /nfs/dbraw/zinc/39/05/23/782390523.db2.gz YZUOJNOPJUIJSE-UHFFFAOYSA-N 0 3 253.306 -1.128 20 0 CAADHN C[C@H](C(N)=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001043975771 782384793 /nfs/dbraw/zinc/38/47/93/782384793.db2.gz FJAQRPYXQHTKQU-MRVPVSSYSA-N 0 3 265.317 -1.031 20 0 CAADHN CC[C@@H](C(=O)NCC1(O)CN(C(=O)COC)C1)N(C)C ZINC001044038173 782386696 /nfs/dbraw/zinc/38/66/96/782386696.db2.gz OMJQLIZLROUDKN-JTQLQIEISA-N 0 3 287.360 -1.338 20 0 CAADHN COCC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001044323560 782397871 /nfs/dbraw/zinc/39/78/71/782397871.db2.gz OYTFFUYINPZEBA-UHFFFAOYSA-N 0 3 296.327 -1.403 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001044967662 782409738 /nfs/dbraw/zinc/40/97/38/782409738.db2.gz RMHQSKPGXZXMLI-DTWKUNHWSA-N 0 3 268.317 -1.669 20 0 CAADHN O=C(Cn1cnnn1)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001044916139 782410162 /nfs/dbraw/zinc/41/01/62/782410162.db2.gz ZFUYFHZESDDNEN-UWVGGRQHSA-N 0 3 293.331 -1.858 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)n1 ZINC001045025742 782410853 /nfs/dbraw/zinc/41/08/53/782410853.db2.gz ZOJOTVFQSKKKEP-VHSXEESVSA-N 0 3 292.343 -1.102 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001045178177 782413057 /nfs/dbraw/zinc/41/30/57/782413057.db2.gz CEQAYRSOHGMSNZ-YUMQZZPRSA-N 0 3 254.290 -2.059 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001045245651 782414462 /nfs/dbraw/zinc/41/44/62/782414462.db2.gz QICSKKCFIIRQNA-DTWKUNHWSA-N 0 3 278.316 -1.113 20 0 CAADHN CC[C@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)N(C)C ZINC001045509386 782421585 /nfs/dbraw/zinc/42/15/85/782421585.db2.gz KCXYRZNNZSRVMI-MRVPVSSYSA-N 0 3 286.332 -2.499 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CCO)n1 ZINC001045832082 782430585 /nfs/dbraw/zinc/43/05/85/782430585.db2.gz YNOYWEQHDKAHJR-ZJUUUORDSA-N 0 3 280.332 -1.119 20 0 CAADHN Cn1nnc(C(=O)NC2(C)CCN(CCO)CC2)n1 ZINC001045527242 782425723 /nfs/dbraw/zinc/42/57/23/782425723.db2.gz ZGYKMIKCWWEPRQ-UHFFFAOYSA-N 0 3 268.321 -1.213 20 0 CAADHN O=C(c1cn[n-]n1)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046042586 782432366 /nfs/dbraw/zinc/43/23/66/782432366.db2.gz JKMLIPGBPZFOEQ-LLVKDONJSA-N 0 3 294.359 -1.371 20 0 CAADHN O=C(c1cn[n-]n1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046042586 782432371 /nfs/dbraw/zinc/43/23/71/782432371.db2.gz JKMLIPGBPZFOEQ-LLVKDONJSA-N 0 3 294.359 -1.371 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@]2(C)CCN(CCO)C2)C1 ZINC001046221127 782434539 /nfs/dbraw/zinc/43/45/39/782434539.db2.gz XIJSLQSPJGWFTR-WCQYABFASA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@@]2(C)CCN(CCO)C2)C1 ZINC001046221129 782435064 /nfs/dbraw/zinc/43/50/64/782435064.db2.gz XIJSLQSPJGWFTR-YPMHNXCESA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@]1(NC(=O)[C@@H]2COCCO2)CCN(CCO)C1 ZINC001046163399 782435176 /nfs/dbraw/zinc/43/51/76/782435176.db2.gz ZSRUHDQMBYJUDK-JQWIXIFHSA-N 0 3 258.318 -1.025 20 0 CAADHN CN1CCOC[C@H]1C(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001046250614 782436072 /nfs/dbraw/zinc/43/60/72/782436072.db2.gz DPOMICCFNXWRAG-AAEUAGOBSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@]1(NC(=O)[C@@H]2COC(=O)N2)CCN(CCO)C1 ZINC001046283851 782436472 /nfs/dbraw/zinc/43/64/72/782436472.db2.gz MXBLMHYNRXDYFH-KWQFWETISA-N 0 3 257.290 -1.332 20 0 CAADHN CN1CCOC[C@H]1C(=O)N[C@]1(C)CCN(CCO)C1 ZINC001046250617 782437099 /nfs/dbraw/zinc/43/70/99/782437099.db2.gz DPOMICCFNXWRAG-WCQYABFASA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@@]1(NC(=O)[C@H]2COC(=O)N2)CCN(CCO)C1 ZINC001046283852 782437416 /nfs/dbraw/zinc/43/74/16/782437416.db2.gz MXBLMHYNRXDYFH-LDYMZIIASA-N 0 3 257.290 -1.332 20 0 CAADHN C[C@@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(CCO)C1 ZINC001046585016 782444612 /nfs/dbraw/zinc/44/46/12/782444612.db2.gz DFKFHJGVXOXMRF-GZMMTYOYSA-N 0 3 256.306 -1.759 20 0 CAADHN C[C@]1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN(CCO)C1 ZINC001046616468 782444784 /nfs/dbraw/zinc/44/47/84/782444784.db2.gz FHUPHHGEKMMXGQ-CWSCBRNRSA-N 0 3 285.344 -1.408 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)N[C@]2(C)CCN(CCO)C2)c1=O ZINC001046535298 782442161 /nfs/dbraw/zinc/44/21/61/782442161.db2.gz MGPUSDUFMWKPEJ-CYBMUJFWSA-N 0 3 296.327 -1.328 20 0 CAADHN C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(CCO)C1 ZINC001046621522 782443491 /nfs/dbraw/zinc/44/34/91/782443491.db2.gz MCXHIYKLQHXMIS-PTRXPTGYSA-N 0 3 255.318 -1.319 20 0 CAADHN C[C@@]1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN(CCO)C1 ZINC001046616470 782444041 /nfs/dbraw/zinc/44/40/41/782444041.db2.gz FHUPHHGEKMMXGQ-OPQQBVKSSA-N 0 3 285.344 -1.408 20 0 CAADHN Cn1cc(C(=O)N[C@@]2(C)CCN(CCO)C2)n(C)c1=O ZINC001046858296 782448042 /nfs/dbraw/zinc/44/80/42/782448042.db2.gz CWORWISFGZLNII-ZDUSSCGKSA-N 0 3 282.344 -1.090 20 0 CAADHN CCN1CC[C@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046853852 782448508 /nfs/dbraw/zinc/44/85/08/782448508.db2.gz GCXHLGHRVVOHKH-LBPRGKRZSA-N 0 3 280.332 -1.023 20 0 CAADHN NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N1CCC1)C2 ZINC001047132784 782451694 /nfs/dbraw/zinc/45/16/94/782451694.db2.gz CTAYTORDMJKGLT-DCAQKATOSA-N 0 3 294.355 -1.327 20 0 CAADHN NC(=O)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(CC(=O)NC1CC1)C2 ZINC001047134647 782452352 /nfs/dbraw/zinc/45/23/52/782452352.db2.gz FDQJTLUSULXMDA-LSJOCFKGSA-N 0 3 294.355 -1.281 20 0 CAADHN CN(C(=O)[C@H]1CCCN1C)[C@H]1CN(CCO)C[C@@H]1O ZINC001047324779 782461564 /nfs/dbraw/zinc/46/15/64/782461564.db2.gz YEPMAGKPWFZWNW-WOPDTQHZSA-N 0 3 271.361 -1.424 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047296759 782455778 /nfs/dbraw/zinc/45/57/78/782455778.db2.gz SAUWMSLFSBEQMJ-UWVGGRQHSA-N 0 3 268.321 -1.413 20 0 CAADHN CN(C(=O)[C@@H]1CCCN1C)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047323958 782460751 /nfs/dbraw/zinc/46/07/51/782460751.db2.gz DEMXUYOPTUUQDK-AVGNSLFASA-N 0 3 285.388 -1.034 20 0 CAADHN CN(C(=O)Cc1ccn[nH]1)[C@H]1CN(CCO)C[C@@H]1O ZINC001047333157 782463988 /nfs/dbraw/zinc/46/39/88/782463988.db2.gz RMGAKKQURDVJSK-QWRGUYRKSA-N 0 3 268.317 -1.552 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001047358301 782466073 /nfs/dbraw/zinc/46/60/73/782466073.db2.gz WZIIDQAOQFUKIW-UWVGGRQHSA-N 0 3 283.332 -1.103 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001047410008 782473687 /nfs/dbraw/zinc/47/36/87/782473687.db2.gz ZDOBSIWLGUORFB-RYUDHWBXSA-N 0 3 299.371 -1.243 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@H]2CN(C[C@H](C)O)C[C@@H]2O)[nH]1 ZINC001047376598 782470481 /nfs/dbraw/zinc/47/04/81/782470481.db2.gz QYWHBMLCGBHNQF-LSJOCFKGSA-N 0 3 297.359 -1.460 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@H]2CN(CCCO)C[C@@H]2O)[nH]1 ZINC001047376282 782470513 /nfs/dbraw/zinc/47/05/13/782470513.db2.gz AZDBQUJPXYSZOX-QWRGUYRKSA-N 0 3 297.359 -1.458 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@H]2CN(C[C@@H](C)O)C[C@@H]2O)[nH]1 ZINC001047376599 782470629 /nfs/dbraw/zinc/47/06/29/782470629.db2.gz QYWHBMLCGBHNQF-MIMYLULJSA-N 0 3 297.359 -1.460 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001047484294 782480371 /nfs/dbraw/zinc/48/03/71/782480371.db2.gz PZCSKVOQXGTTKA-RYUDHWBXSA-N 0 3 298.387 -1.668 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCNC2=O)C1 ZINC001047443341 782478611 /nfs/dbraw/zinc/47/86/11/782478611.db2.gz RYAMUGCGEVRDOO-QWRGUYRKSA-N 0 3 284.360 -1.075 20 0 CAADHN CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047507370 782484544 /nfs/dbraw/zinc/48/45/44/782484544.db2.gz OJZZXNQDDDLHLV-DCAQKATOSA-N 0 3 282.344 -1.419 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001047510566 782486456 /nfs/dbraw/zinc/48/64/56/782486456.db2.gz VCASULKHAYUQON-VWYCJHECSA-N 0 3 285.344 -1.456 20 0 CAADHN CC(C)CN1C[C@H](O)[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001047490553 782482428 /nfs/dbraw/zinc/48/24/28/782482428.db2.gz ZTOXNETZEAFBPI-UWVGGRQHSA-N 0 3 282.348 -1.017 20 0 CAADHN C[C@@H]1CCN(CC(=O)N(C)[C@H]2CN(CCO)C[C@@H]2O)C1 ZINC001047528677 782489090 /nfs/dbraw/zinc/48/90/90/782489090.db2.gz XMRPRKVUCRFYPD-AGIUHOORSA-N 0 3 285.388 -1.176 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(CC2CCC2)C[C@@H]1O ZINC001047511411 782488246 /nfs/dbraw/zinc/48/82/46/782488246.db2.gz YZHRQULKJABPEB-UWVGGRQHSA-N 0 3 255.318 -1.225 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CN(CCO)C[C@@H]1O ZINC001047529052 782488323 /nfs/dbraw/zinc/48/83/23/782488323.db2.gz OLHGLVFPWXBSGY-AGIUHOORSA-N 0 3 285.388 -1.034 20 0 CAADHN C[C@H]1CCN(CC(=O)N(C)[C@H]2CN(CCO)C[C@@H]2O)C1 ZINC001047528678 782488405 /nfs/dbraw/zinc/48/84/05/782488405.db2.gz XMRPRKVUCRFYPD-AVGNSLFASA-N 0 3 285.388 -1.176 20 0 CAADHN CN(C(=O)Cc1cnc[nH]1)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047544939 782491315 /nfs/dbraw/zinc/49/13/15/782491315.db2.gz LGSKRAJUNLBUOK-RYUDHWBXSA-N 0 3 282.344 -1.162 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001047527191 782489686 /nfs/dbraw/zinc/48/96/86/782489686.db2.gz YHBODPSWHCFTTL-FIQHERPVSA-N 0 3 299.371 -1.067 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N(C)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047527618 782489846 /nfs/dbraw/zinc/48/98/46/782489846.db2.gz IQGFMROUPYBHSV-WOPDTQHZSA-N 0 3 298.387 -1.541 20 0 CAADHN C[C@H]1CCCN1CC(=O)N(C)[C@H]1CN(CCO)C[C@@H]1O ZINC001047529053 782490041 /nfs/dbraw/zinc/49/00/41/782490041.db2.gz OLHGLVFPWXBSGY-AVGNSLFASA-N 0 3 285.388 -1.034 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001047545879 782492543 /nfs/dbraw/zinc/49/25/43/782492543.db2.gz ZOAQPLQBTVLHMI-LSJOCFKGSA-N 0 3 295.343 -1.671 20 0 CAADHN C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncn2C)C1 ZINC001047598196 782497053 /nfs/dbraw/zinc/49/70/53/782497053.db2.gz ZLSKUOBHBULWGC-DRZSPHRISA-N 0 3 296.371 -1.153 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001047597496 782497128 /nfs/dbraw/zinc/49/71/28/782497128.db2.gz QXLLUTBVQIBSJZ-UWVGGRQHSA-N 0 3 298.343 -1.596 20 0 CAADHN CN(C(=O)Cc1nnc[nH]1)[C@H]1CN(CCO)C[C@@H]1O ZINC001047592711 782497230 /nfs/dbraw/zinc/49/72/30/782497230.db2.gz DSSXSWJDXSRNNN-IUCAKERBSA-N 0 3 269.305 -2.157 20 0 CAADHN CN(C(=O)Cc1nnc[n-]1)[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC001047592711 782497234 /nfs/dbraw/zinc/49/72/34/782497234.db2.gz DSSXSWJDXSRNNN-IUCAKERBSA-N 0 3 269.305 -2.157 20 0 CAADHN CN(C(=O)Cc1nnc[n-]1)[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC001047592711 782497243 /nfs/dbraw/zinc/49/72/43/782497243.db2.gz DSSXSWJDXSRNNN-IUCAKERBSA-N 0 3 269.305 -2.157 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001047548696 782492618 /nfs/dbraw/zinc/49/26/18/782492618.db2.gz ILFZOLDKIVJMDE-GUBZILKMSA-N 0 3 298.343 -1.504 20 0 CAADHN C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047578767 782493767 /nfs/dbraw/zinc/49/37/67/782493767.db2.gz IQUYUHVGOGDZRU-DCAQKATOSA-N 0 3 282.344 -1.164 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CCC2=O)C1 ZINC001047622215 782501019 /nfs/dbraw/zinc/50/10/19/782501019.db2.gz CALHINSLHMENMK-UWVGGRQHSA-N 0 3 283.328 -1.341 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001047619789 782499698 /nfs/dbraw/zinc/49/96/98/782499698.db2.gz ZCGUTJVQNCCPTF-UWVGGRQHSA-N 0 3 298.343 -1.548 20 0 CAADHN CN(C(=O)CN1CCCC1)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047627102 782500481 /nfs/dbraw/zinc/50/04/81/782500481.db2.gz JVDNQPUHYFBPBO-STQMWFEESA-N 0 3 285.388 -1.032 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001047650410 782502748 /nfs/dbraw/zinc/50/27/48/782502748.db2.gz UPPHNZOYDIMXJB-VWYCJHECSA-N 0 3 297.355 -1.047 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001047650409 782502768 /nfs/dbraw/zinc/50/27/68/782502768.db2.gz UPPHNZOYDIMXJB-DCAQKATOSA-N 0 3 297.355 -1.047 20 0 CAADHN C[C@H](NCc1nncn1C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001047957299 782503322 /nfs/dbraw/zinc/50/33/22/782503322.db2.gz JCDNDLMWRVBOJM-IUCAKERBSA-N 0 3 280.332 -1.373 20 0 CAADHN C[C@H](NCc1nncn1C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001047957297 782504228 /nfs/dbraw/zinc/50/42/28/782504228.db2.gz JCDNDLMWRVBOJM-DTWKUNHWSA-N 0 3 280.332 -1.373 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001047650126 782501943 /nfs/dbraw/zinc/50/19/43/782501943.db2.gz RSFRVEQAOZCGMJ-UTLUCORTSA-N 0 3 283.328 -1.437 20 0 CAADHN C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ccnc2)C1 ZINC001047645939 782502403 /nfs/dbraw/zinc/50/24/03/782502403.db2.gz CKJQUXLRRJNBML-WOPDTQHZSA-N 0 3 282.344 -1.233 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@H]1CNCc1cn(C)nn1 ZINC001048367311 782509345 /nfs/dbraw/zinc/50/93/45/782509345.db2.gz TUXWCLZYSYODPE-DTWKUNHWSA-N 0 3 280.332 -1.516 20 0 CAADHN CCn1cc(CNC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)nn1 ZINC001048365849 782509867 /nfs/dbraw/zinc/50/98/67/782509867.db2.gz MFMRWBCYISDCAV-UWVGGRQHSA-N 0 3 294.359 -1.033 20 0 CAADHN Cc1nnc(CNC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)[nH]1 ZINC001048367530 782509952 /nfs/dbraw/zinc/50/99/52/782509952.db2.gz VYDZNBLYSWWGEL-VXNVDRBHSA-N 0 3 280.332 -1.217 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1CNCc1cn(C)nn1 ZINC001048367312 782510118 /nfs/dbraw/zinc/51/01/18/782510118.db2.gz TUXWCLZYSYODPE-IUCAKERBSA-N 0 3 280.332 -1.516 20 0 CAADHN CC(=O)N1C[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]2C1 ZINC001048634189 782513417 /nfs/dbraw/zinc/51/34/17/782513417.db2.gz LUADFDRBRVBCMR-PHIMTYICSA-N 0 3 280.328 -1.052 20 0 CAADHN CC(C)N1CCN(CCNS(N)(=O)=O)CC1 ZINC001260083520 782514805 /nfs/dbraw/zinc/51/48/05/782514805.db2.gz QDTVBSSMCSJFFE-UHFFFAOYSA-N 0 3 250.368 -1.195 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001048734241 782515979 /nfs/dbraw/zinc/51/59/79/782515979.db2.gz MKTQQVQPJVZOEW-LPEHRKFASA-N 0 3 282.344 -1.614 20 0 CAADHN NC(=O)CN1C[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@@H]2C1 ZINC001048736193 782516215 /nfs/dbraw/zinc/51/62/15/782516215.db2.gz FXARJTDVLPDRER-AOOOYVTPSA-N 0 3 277.328 -1.172 20 0 CAADHN O=C(c1cn[n-]n1)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048914578 782522477 /nfs/dbraw/zinc/52/24/77/782522477.db2.gz SRJLZLHMMIQSIQ-NGZCFLSTSA-N 0 3 290.327 -1.303 20 0 CAADHN O=C(c1cn[n-]n1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048914578 782522484 /nfs/dbraw/zinc/52/24/84/782522484.db2.gz SRJLZLHMMIQSIQ-NGZCFLSTSA-N 0 3 290.327 -1.303 20 0 CAADHN C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001049021855 782525613 /nfs/dbraw/zinc/52/56/13/782525613.db2.gz AHNHBVKDGICFMJ-BBBLOLIVSA-N 0 3 282.344 -1.661 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001049023105 782526253 /nfs/dbraw/zinc/52/62/53/782526253.db2.gz NCTLOFLQWKABFS-HRDYMLBCSA-N 0 3 268.317 -1.874 20 0 CAADHN C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001049023674 782526475 /nfs/dbraw/zinc/52/64/75/782526475.db2.gz ATHURULUWOJLAT-LPEHRKFASA-N 0 3 294.355 -1.471 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001049023292 782526611 /nfs/dbraw/zinc/52/66/11/782526611.db2.gz UCJPJQYAYMHZMA-HLTSFMKQSA-N 0 3 268.317 -2.004 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001049021863 782526786 /nfs/dbraw/zinc/52/67/86/782526786.db2.gz AHNHBVKDGICFMJ-LPEHRKFASA-N 0 3 282.344 -1.661 20 0 CAADHN NC(=O)C(=O)N1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC001049021591 782527352 /nfs/dbraw/zinc/52/73/52/782527352.db2.gz ZPNAYFDABKRLCJ-PHIMTYICSA-N 0 3 294.355 -1.516 20 0 CAADHN CN1CCOC[C@@]1(CO)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000903283014 782528035 /nfs/dbraw/zinc/52/80/35/782528035.db2.gz VZBCFCYEWBVCKZ-NEPJUHHUSA-N 0 3 292.401 -1.154 20 0 CAADHN O=C(c1nc[n-]n1)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049122825 782528296 /nfs/dbraw/zinc/52/82/96/782528296.db2.gz KTNJJDKQPMYWAC-KXUCPTDWSA-N 0 3 290.327 -1.303 20 0 CAADHN O=C(c1nc[n-]n1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049122825 782528312 /nfs/dbraw/zinc/52/83/12/782528312.db2.gz KTNJJDKQPMYWAC-KXUCPTDWSA-N 0 3 290.327 -1.303 20 0 CAADHN NC(=O)CN1C[C@@H]2CN(C(=O)CCc3cn[nH]n3)C[C@@H]2C1 ZINC001049068051 782528846 /nfs/dbraw/zinc/52/88/46/782528846.db2.gz ISVDGEOAPXKAOB-AOOOYVTPSA-N 0 3 292.343 -1.387 20 0 CAADHN NC(=O)CN1C[C@@H]2CN(C(=O)CCc3c[nH]nn3)C[C@@H]2C1 ZINC001049068051 782528857 /nfs/dbraw/zinc/52/88/57/782528857.db2.gz ISVDGEOAPXKAOB-AOOOYVTPSA-N 0 3 292.343 -1.387 20 0 CAADHN CNC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cc3nnc[n-]3)C[C@H]2C1 ZINC001049161664 782529728 /nfs/dbraw/zinc/52/97/28/782529728.db2.gz CEBGEHOYCILWIX-AOOOYVTPSA-N 0 3 292.343 -1.517 20 0 CAADHN CNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3nnc[n-]3)C[C@H]2C1 ZINC001049161664 782529730 /nfs/dbraw/zinc/52/97/30/782529730.db2.gz CEBGEHOYCILWIX-AOOOYVTPSA-N 0 3 292.343 -1.517 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CCN1 ZINC000396041624 782531251 /nfs/dbraw/zinc/53/12/51/782531251.db2.gz VWXVBGUERQYNMM-ZETCQYMHSA-N 0 3 254.290 -1.205 20 0 CAADHN CN1CCOC[C@]1(CO)CN[C@@H]1CCCS(=O)(=O)C1 ZINC000903283017 782531682 /nfs/dbraw/zinc/53/16/82/782531682.db2.gz VZBCFCYEWBVCKZ-VXGBXAGGSA-N 0 3 292.401 -1.154 20 0 CAADHN CNS(=O)(=O)N1CCCNC[C@H]1C(=O)OC ZINC000903500465 782534479 /nfs/dbraw/zinc/53/44/79/782534479.db2.gz UBZANYHEVANLPH-ZETCQYMHSA-N 0 3 251.308 -1.713 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3CCO)n1 ZINC001049651742 782537247 /nfs/dbraw/zinc/53/72/47/782537247.db2.gz MEPUORGIFKMRMD-ZJUUUORDSA-N 0 3 280.332 -1.119 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]2[C@@H]1CCN2CCCO ZINC001049683063 782538106 /nfs/dbraw/zinc/53/81/06/782538106.db2.gz LDMCHFWJKJBFRL-ZJUUUORDSA-N 0 3 255.318 -1.081 20 0 CAADHN C[C@H](O)CN1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049684647 782538340 /nfs/dbraw/zinc/53/83/40/782538340.db2.gz VEJCBYBWCSEUCE-AEJSXWLSSA-N 0 3 255.318 -1.082 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]2[C@@H]1CCN2CCCO ZINC001049683061 782538710 /nfs/dbraw/zinc/53/87/10/782538710.db2.gz LDMCHFWJKJBFRL-UWVGGRQHSA-N 0 3 255.318 -1.081 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001096679626 782541381 /nfs/dbraw/zinc/54/13/81/782541381.db2.gz AHFTWHWJSHYWBF-ZNSHCXBVSA-N 0 3 295.339 -1.247 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001261742604 782542327 /nfs/dbraw/zinc/54/23/27/782542327.db2.gz ZOIBQNAVAHUKMJ-ZJUUUORDSA-N 0 3 257.334 -1.059 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001096781844 782542971 /nfs/dbraw/zinc/54/29/71/782542971.db2.gz GWOYPCJSIBGEML-BBBLOLIVSA-N 0 3 266.305 -1.613 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001096982087 782545380 /nfs/dbraw/zinc/54/53/80/782545380.db2.gz QOQCJSSAVOTJMC-BBBLOLIVSA-N 0 3 281.316 -1.303 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001097081582 782545931 /nfs/dbraw/zinc/54/59/31/782545931.db2.gz IMJKSEVBWDIHKT-BBBLOLIVSA-N 0 3 266.305 -1.613 20 0 CAADHN C[C@H]1NCCN(C(=O)CN2CCNC(=O)C2)[C@@H]1C ZINC001263107248 782547902 /nfs/dbraw/zinc/54/79/02/782547902.db2.gz SCGXCZAHJIJQAU-NXEZZACHSA-N 0 3 254.334 -1.373 20 0 CAADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO)[C@@H]1CNC(=O)N1 ZINC001097758492 782549870 /nfs/dbraw/zinc/54/98/70/782549870.db2.gz SZMVHLYKMUPBEW-ZNSHCXBVSA-N 0 3 282.344 -1.228 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCCN([C@H]2CCC(=O)NC2=O)CC1 ZINC001052672064 782552727 /nfs/dbraw/zinc/55/27/27/782552727.db2.gz LDYLIBNUFIHWMA-IUCAKERBSA-N 0 3 296.327 -1.752 20 0 CAADHN CN1CC[C@@H](N2CCC[C@@H](NC(=O)C(N)=O)CC2)C1=O ZINC001052679600 782553452 /nfs/dbraw/zinc/55/34/52/782553452.db2.gz SKUZWYQYBKCRRW-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052674888 782553514 /nfs/dbraw/zinc/55/35/14/782553514.db2.gz VVSKWFAQMZBAIQ-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCN([C@@H]2CCCNC2=O)CC1 ZINC001052673092 782555125 /nfs/dbraw/zinc/55/51/25/782555125.db2.gz XKWJERASHGEWMV-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN CC[C@H](C(N)=O)N1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052678797 782555251 /nfs/dbraw/zinc/55/52/51/782555251.db2.gz BBRKZWCUORYMFG-RKDXNWHRSA-N 0 3 270.333 -1.294 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCN([C@H]2CCCNC2=O)CC1 ZINC001052673095 782555338 /nfs/dbraw/zinc/55/53/38/782555338.db2.gz XKWJERASHGEWMV-ZJUUUORDSA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052674886 782555779 /nfs/dbraw/zinc/55/57/79/782555779.db2.gz VVSKWFAQMZBAIQ-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)[C@@H](C)N1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052674885 782555813 /nfs/dbraw/zinc/55/58/13/782555813.db2.gz VVSKWFAQMZBAIQ-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN O=C(Cc1c[nH]cn1)N1CCOC2(CN(CCO)C2)C1 ZINC001053448966 782570517 /nfs/dbraw/zinc/57/05/17/782570517.db2.gz NOAFUNONAUTYED-UHFFFAOYSA-N 0 3 280.328 -1.142 20 0 CAADHN CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)CC(N)=O ZINC001266930244 775185571 /nfs/dbraw/zinc/18/55/71/775185571.db2.gz QRKBOIZSARLAIU-SECBINFHSA-N 0 3 272.349 -1.177 20 0 CAADHN CN(CCS(C)(=O)=O)C(=O)C[C@@H]1CNCCO1 ZINC000094301580 775995946 /nfs/dbraw/zinc/99/59/46/775995946.db2.gz HZPCCFRGWQEMOI-SECBINFHSA-N 0 3 264.347 -1.132 20 0 CAADHN CN1CC[C@@H](C(=O)NCCNCC(N)=O)S1(=O)=O ZINC001135129904 776835650 /nfs/dbraw/zinc/83/56/50/776835650.db2.gz REGBCPCRLWEGKB-ZETCQYMHSA-N 0 3 278.334 -2.789 20 0 CAADHN COC[C@H](OC)C(=O)NCCNCC(=O)NC(C)C ZINC001133518019 776780726 /nfs/dbraw/zinc/78/07/26/776780726.db2.gz ZODDMHUWVVNQKU-JTQLQIEISA-N 0 3 275.349 -1.122 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001132715069 776749039 /nfs/dbraw/zinc/74/90/39/776749039.db2.gz GBPVOQBPOZLNCJ-LBPRGKRZSA-N 0 3 270.333 -1.646 20 0 CAADHN O=C(Cc1cnoc1)NCCN[C@H]1CCC(=O)NC1=O ZINC001132742794 776749069 /nfs/dbraw/zinc/74/90/69/776749069.db2.gz HZPMZCJLNUAYHH-VIFPVBQESA-N 0 3 280.284 -1.272 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCNC2=O)CCC(=O)NC1 ZINC001132715441 776749151 /nfs/dbraw/zinc/74/91/51/776749151.db2.gz PPQMSKPONHZMKU-TVQRCGJNSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@]1(C(=O)NCCN[C@H]2CCCNC2=O)CCC(=O)NC1 ZINC001132715659 776749364 /nfs/dbraw/zinc/74/93/64/776749364.db2.gz WEDROBOVXNBWPR-HZMBPMFUSA-N 0 3 296.371 -1.113 20 0 CAADHN O=C(Cc1cnoc1)NCCN[C@H]1CCNC1=O ZINC001132742842 776749458 /nfs/dbraw/zinc/74/94/58/776749458.db2.gz KFSAIAJIGOTNQD-VIFPVBQESA-N 0 3 252.274 -1.189 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001132717830 776749498 /nfs/dbraw/zinc/74/94/98/776749498.db2.gz GDLKRIDMBGGQOL-TVQRCGJNSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1cnoc1 ZINC001132738411 776750237 /nfs/dbraw/zinc/75/02/37/776750237.db2.gz CGTURKFKVVXERM-UHFFFAOYSA-N 0 3 283.288 -1.622 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@]1(C)CCC(=O)NC1)C(N)=O ZINC001132719693 776750269 /nfs/dbraw/zinc/75/02/69/776750269.db2.gz XFIWQMZTINCHCJ-NOZJJQNGSA-N 0 3 284.360 -1.128 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001133517300 776780850 /nfs/dbraw/zinc/78/08/50/776780850.db2.gz MGWZFYJFSNURKP-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CNC(=O)N1)C(=O)NC1CC1 ZINC001133121883 776763460 /nfs/dbraw/zinc/76/34/60/776763460.db2.gz NOIVKERQKTTXLD-IONNQARKSA-N 0 3 283.332 -1.959 20 0 CAADHN CCC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121001 776763514 /nfs/dbraw/zinc/76/35/14/776763514.db2.gz FLTQLGOJYYXTDA-UWVGGRQHSA-N 0 3 299.375 -1.322 20 0 CAADHN CCCC[C@@H](NCCNC(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001133118252 776763549 /nfs/dbraw/zinc/76/35/49/776763549.db2.gz HMIHSMRXYZCLLV-RKDXNWHRSA-N 0 3 285.348 -1.582 20 0 CAADHN NC(=O)C(=O)NCCNCCN1CCCS1(=O)=O ZINC001133193346 776770111 /nfs/dbraw/zinc/77/01/11/776770111.db2.gz PXWFISSAZFEQSI-UHFFFAOYSA-N 0 3 278.334 -2.787 20 0 CAADHN Cc1nocc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001133237231 776774716 /nfs/dbraw/zinc/77/47/16/776774716.db2.gz ZQNMJNOPFRAIOS-SSDOTTSWSA-N 0 3 283.288 -1.114 20 0 CAADHN CC[C@@H](C(=O)NC/C=C/CNC(=O)C(N)=O)N(C)C ZINC001285594220 777980432 /nfs/dbraw/zinc/98/04/32/777980432.db2.gz HTFSWMNJLZVDAJ-CYNONHLPSA-N 0 3 270.333 -1.400 20 0 CAADHN CO[C@H](CN[C@H](CO)CNC(=O)C(N)=O)C1CCC1 ZINC001283798483 777919208 /nfs/dbraw/zinc/91/92/08/777919208.db2.gz YBQMFFYPPUPIIU-VHSXEESVSA-N 0 3 273.333 -1.647 20 0 CAADHN CO[C@H](CN[C@@H](CO)CNC(=O)C(N)=O)C1CCC1 ZINC001283798472 777919721 /nfs/dbraw/zinc/91/97/21/777919721.db2.gz YBQMFFYPPUPIIU-NXEZZACHSA-N 0 3 273.333 -1.647 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001283804143 777919805 /nfs/dbraw/zinc/91/98/05/777919805.db2.gz KAGVOMTXXKJXIO-VWYCJHECSA-N 0 3 287.360 -1.399 20 0 CAADHN CO[C@@H](CN[C@H](CO)CNC(=O)C(N)=O)C1CCC1 ZINC001283798481 777919938 /nfs/dbraw/zinc/91/99/38/777919938.db2.gz YBQMFFYPPUPIIU-UWVGGRQHSA-N 0 3 273.333 -1.647 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](C)NC(=O)C(N)=O ZINC001284244016 777932075 /nfs/dbraw/zinc/93/20/75/777932075.db2.gz UJNGUDMUQXSSOB-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1nc[nH]n1 ZINC001284461117 777943834 /nfs/dbraw/zinc/94/38/34/777943834.db2.gz YFZGRJGYMWGCIX-LURJTMIESA-N 0 3 256.266 -2.688 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1nc[nH]n1 ZINC001284461118 777944193 /nfs/dbraw/zinc/94/41/93/777944193.db2.gz YFZGRJGYMWGCIX-ZCFIWIBFSA-N 0 3 256.266 -2.688 20 0 CAADHN CCCC[C@H](NC(N)=O)C(=O)NCCNCC(=O)NC ZINC001153330853 779837743 /nfs/dbraw/zinc/83/77/43/779837743.db2.gz INCKPUBLVLHKHW-VIFPVBQESA-N 0 3 287.364 -1.335 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCOC[C@H]1CCO)C1CC1 ZINC001119760855 779625537 /nfs/dbraw/zinc/62/55/37/779625537.db2.gz VKGMYTOXRRIJAH-GFCCVEGCSA-N 0 3 299.371 -1.193 20 0 CAADHN COCCO[C@@H]1C[C@@H](CO)CN(C[C@H](O)CO)C1 ZINC001119772650 779625607 /nfs/dbraw/zinc/62/56/07/779625607.db2.gz FVHPJBVIPWYCNI-GRYCIOLGSA-N 0 3 263.334 -1.315 20 0 CAADHN C[C@H]1[C@@H](NCc2cn(CC(N)=O)nn2)CCN1C ZINC001120046712 779632499 /nfs/dbraw/zinc/63/24/99/779632499.db2.gz LNWCDOIUXKVSKU-WPRPVWTQSA-N 0 3 252.322 -1.054 20 0 CAADHN C[C@@H](NC(=O)C(=O)N1CCNCCNCC1)[C@H]1CCOC1 ZINC001120418655 779635487 /nfs/dbraw/zinc/63/54/87/779635487.db2.gz LHCAMFPFXFWVFY-NEPJUHHUSA-N 0 3 298.387 -1.451 20 0 CAADHN CCON(C)C(=O)CNC[C@H](O)C[C@]1(O)CCOC1 ZINC001120519404 779639489 /nfs/dbraw/zinc/63/94/89/779639489.db2.gz JROOKPHULYSORM-ZYHUDNBSSA-N 0 3 276.333 -1.112 20 0 CAADHN C[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC001120523689 779639611 /nfs/dbraw/zinc/63/96/11/779639611.db2.gz MAXIECRUZALYNP-VXGBXAGGSA-N 0 3 298.387 -1.451 20 0 CAADHN COCCN1CC[C@@H](NC(=O)N[C@H]2CNOC2)C1 ZINC001120515122 779639681 /nfs/dbraw/zinc/63/96/81/779639681.db2.gz UHZWBCUBQKSAJD-ZJUUUORDSA-N 0 3 258.322 -1.090 20 0 CAADHN CCON(C)C(=O)CNC[C@@H](O)C[C@]1(O)CCOC1 ZINC001120519401 779639841 /nfs/dbraw/zinc/63/98/41/779639841.db2.gz JROOKPHULYSORM-CMPLNLGQSA-N 0 3 276.333 -1.112 20 0 CAADHN COCCN1CC[C@H](NC(=O)N[C@H]2CNOC2)C1 ZINC001120515121 779639974 /nfs/dbraw/zinc/63/99/74/779639974.db2.gz UHZWBCUBQKSAJD-UWVGGRQHSA-N 0 3 258.322 -1.090 20 0 CAADHN CCN(C(=O)Cn1nnc(N)n1)[C@@H]1CCN(C)C1 ZINC001120672813 779642841 /nfs/dbraw/zinc/64/28/41/779642841.db2.gz MJJSBQHPQJSUDQ-MRVPVSSYSA-N 0 3 253.310 -1.192 20 0 CAADHN CCN(C(=O)Cn1nnc(N)n1)[C@H]1CCN(C)C1 ZINC001120672814 779642927 /nfs/dbraw/zinc/64/29/27/779642927.db2.gz MJJSBQHPQJSUDQ-QMMMGPOBSA-N 0 3 253.310 -1.192 20 0 CAADHN COCCN1CC[C@H](NC(=O)N[C@@H]2CNOC2)C1 ZINC001120604435 779643425 /nfs/dbraw/zinc/64/34/25/779643425.db2.gz UHZWBCUBQKSAJD-VHSXEESVSA-N 0 3 258.322 -1.090 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)Cn2nnc(N)n2)C1 ZINC001120739491 779644892 /nfs/dbraw/zinc/64/48/92/779644892.db2.gz KYKADFSMASNRRY-YUMQZZPRSA-N 0 3 251.294 -1.582 20 0 CAADHN C[C@H](F)CCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413431 780220014 /nfs/dbraw/zinc/22/00/14/780220014.db2.gz POZIHDSKJUODKJ-YIZRAAEISA-N 0 3 261.297 -1.229 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001122222099 779662028 /nfs/dbraw/zinc/66/20/28/779662028.db2.gz NKEADHXPJNNMGM-ZWNOBZJWSA-N 0 3 266.345 -1.371 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001122222098 779662321 /nfs/dbraw/zinc/66/23/21/779662321.db2.gz NKEADHXPJNNMGM-MFKMUULPSA-N 0 3 266.345 -1.371 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)N1CCC2(CC1)CNCCO2 ZINC001122232939 779662354 /nfs/dbraw/zinc/66/23/54/779662354.db2.gz BSVOZLBBSLJPLV-SNVBAGLBSA-N 0 3 285.344 -1.142 20 0 CAADHN CCOC(=O)[C@@H](N)C(=O)N1CCC2(CC1)CNCCO2 ZINC001122232928 779662546 /nfs/dbraw/zinc/66/25/46/779662546.db2.gz BSVOZLBBSLJPLV-JTQLQIEISA-N 0 3 285.344 -1.142 20 0 CAADHN CC(=O)NCCN[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC001122367615 779666396 /nfs/dbraw/zinc/66/63/96/779666396.db2.gz ZXOVLJWVJIJBEW-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)NCCNCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001122367244 779666929 /nfs/dbraw/zinc/66/69/29/779666929.db2.gz PMSJAICRUZDEJC-SNVBAGLBSA-N 0 3 270.333 -1.564 20 0 CAADHN CC(=O)NCCNCC(=O)N1CCC(C(N)=O)CC1 ZINC001122359352 779667067 /nfs/dbraw/zinc/66/70/67/779667067.db2.gz ARFXKYMJRLEGIN-UHFFFAOYSA-N 0 3 270.333 -1.564 20 0 CAADHN C[C@H](NCCNC(=O)c1ccccn1)C(=O)NC(N)=O ZINC001122590275 779671838 /nfs/dbraw/zinc/67/18/38/779671838.db2.gz LGUJQROPUZNAIK-QMMMGPOBSA-N 0 3 279.300 -1.016 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)CCCC(N)=O ZINC001153461149 779838967 /nfs/dbraw/zinc/83/89/67/779838967.db2.gz IFCGHHAWUKPUIW-UHFFFAOYSA-N 0 3 294.377 -2.103 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cccnc1 ZINC001122633708 779672508 /nfs/dbraw/zinc/67/25/08/779672508.db2.gz BJGWPYADCXSNPG-UHFFFAOYSA-N 0 3 279.300 -1.143 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1ccncc1 ZINC001122600337 779672533 /nfs/dbraw/zinc/67/25/33/779672533.db2.gz QTOOFXOMUUGCDP-UHFFFAOYSA-N 0 3 286.357 -1.050 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccccn1 ZINC001122579221 779672549 /nfs/dbraw/zinc/67/25/49/779672549.db2.gz KSDQMBYIGPTLRL-UHFFFAOYSA-N 0 3 279.300 -1.143 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001123072501 779678110 /nfs/dbraw/zinc/67/81/10/779678110.db2.gz RFFBCJGCQAXKBT-CBAPKCEASA-N 0 3 284.316 -1.978 20 0 CAADHN O=C(CNCCNC(=O)c1cc[n+]([O-])cc1)N1CCC1 ZINC001123041256 779678198 /nfs/dbraw/zinc/67/81/98/779678198.db2.gz SWNKRPINPZCNFW-UHFFFAOYSA-N 0 3 278.312 -1.128 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H](C)NC(C)=O ZINC001123072085 779678399 /nfs/dbraw/zinc/67/83/99/779678399.db2.gz KTIHCVBLDWDNHC-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@@H]2CCNC2=O)nc1 ZINC001153373319 779839016 /nfs/dbraw/zinc/83/90/16/779839016.db2.gz VPJUWVDHSFGPSE-SNVBAGLBSA-N 0 3 291.311 -1.612 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCCn1ccnc1 ZINC001153344835 779839119 /nfs/dbraw/zinc/83/91/19/779839119.db2.gz LUIITHPQOBDIJQ-UHFFFAOYSA-N 0 3 296.331 -1.436 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCCC(N)=O ZINC001153461220 779839134 /nfs/dbraw/zinc/83/91/34/779839134.db2.gz IZYJMSCDKJXOOE-QMMMGPOBSA-N 0 3 258.322 -1.518 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H](C)NC(C)=O)C(N)=O ZINC001123083725 779679207 /nfs/dbraw/zinc/67/92/07/779679207.db2.gz SNEBSIZIZZGKHI-APPZFPTMSA-N 0 3 258.322 -1.519 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@H]1CCCNC1=O ZINC001123072593 779679232 /nfs/dbraw/zinc/67/92/32/779679232.db2.gz TWJYGWRSMZUALW-SCZZXKLOSA-N 0 3 270.333 -1.505 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H](C)NC(C)=O ZINC001123072570 779679342 /nfs/dbraw/zinc/67/93/42/779679342.db2.gz SQZXWNPKPCZARP-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H](C)NC(C)=O)C1=O ZINC001123083000 779679366 /nfs/dbraw/zinc/67/93/66/779679366.db2.gz NPWXGYJSJLHYPO-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001123084316 779679559 /nfs/dbraw/zinc/67/95/59/779679559.db2.gz ZZTZPELUWIOUJW-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H](C)NC(C)=O)C(N)=O ZINC001123083726 779679691 /nfs/dbraw/zinc/67/96/91/779679691.db2.gz SNEBSIZIZZGKHI-CBAPKCEASA-N 0 3 258.322 -1.519 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001123083068 779679790 /nfs/dbraw/zinc/67/97/90/779679790.db2.gz OMNDBUQBPAOKJT-WCBMZHEXSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001123082405 779679832 /nfs/dbraw/zinc/67/98/32/779679832.db2.gz JTDLNKHUJGJDQR-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccc(=O)[nH]n1 ZINC001123089146 779680044 /nfs/dbraw/zinc/68/00/44/779680044.db2.gz BNCIRGMYFQXQTO-UHFFFAOYSA-N 0 3 267.289 -1.362 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](C)NC(C)=O ZINC001123083882 779680060 /nfs/dbraw/zinc/68/00/60/779680060.db2.gz UEBXPJZHIHJXCK-YUMQZZPRSA-N 0 3 258.322 -1.649 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCCC(N)=O ZINC001153455637 779839213 /nfs/dbraw/zinc/83/92/13/779839213.db2.gz MSTNPZAKOMPONE-UHFFFAOYSA-N 0 3 258.322 -1.564 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153373055 779839286 /nfs/dbraw/zinc/83/92/86/779839286.db2.gz RHCALRIKXIBHJT-UHFFFAOYSA-N 0 3 279.300 -1.754 20 0 CAADHN CC[C@@H](NCCNC(=O)CN(C)C(C)=O)C(N)=O ZINC001123815148 779693752 /nfs/dbraw/zinc/69/37/52/779693752.db2.gz NTXUTAFSRJKYFO-SECBINFHSA-N 0 3 258.322 -1.566 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CN(C)C(C)=O)C1=O ZINC001123815515 779694135 /nfs/dbraw/zinc/69/41/35/779694135.db2.gz XFNSAVZJTYWICU-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)N(C)CC(=O)NCCNCC(=O)NC(N)=O ZINC001123811387 779694412 /nfs/dbraw/zinc/69/44/12/779694412.db2.gz ZTXKODOIMIYOBR-UHFFFAOYSA-N 0 3 273.293 -2.635 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001123814599 779694443 /nfs/dbraw/zinc/69/44/43/779694443.db2.gz DJALHACDTNVXHC-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN(C)C(C)=O ZINC001123809292 779694450 /nfs/dbraw/zinc/69/44/50/779694450.db2.gz BLDZMRFRNKCRHC-UHFFFAOYSA-N 0 3 258.322 -1.693 20 0 CAADHN CC(=O)N(C)CC(=O)NCCNCC(=O)NCC1CC1 ZINC001123810739 779694513 /nfs/dbraw/zinc/69/45/13/779694513.db2.gz QSUIMDPOFGTFHH-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CC(=O)N(C)CC(=O)NCCNCC(=O)N(C)C ZINC001123811009 779694559 /nfs/dbraw/zinc/69/45/59/779694559.db2.gz UUAMIEXVBVIAHP-UHFFFAOYSA-N 0 3 258.322 -1.741 20 0 CAADHN CCCC[C@H](NC(N)=O)C(=O)NCCN[C@@H](C)C(N)=O ZINC001153330864 779839310 /nfs/dbraw/zinc/83/93/10/779839310.db2.gz IRVKFQDCSCJCRB-IUCAKERBSA-N 0 3 287.364 -1.207 20 0 CAADHN CS(=O)(=O)N1CC(NC(=O)C(N)C(F)(F)F)C1 ZINC001220145388 780310497 /nfs/dbraw/zinc/31/04/97/780310497.db2.gz AMORZDKURUETSB-RXMQYKEDSA-N 0 3 275.252 -1.364 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCCO1 ZINC001124009069 779700508 /nfs/dbraw/zinc/70/05/08/779700508.db2.gz HZQDSCXXMBPLBI-QMMMGPOBSA-N 0 3 272.305 -1.544 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCCO1)C(=O)NC(N)=O ZINC001124017393 779700940 /nfs/dbraw/zinc/70/09/40/779700940.db2.gz BYZVPXKBGGEMBO-DTWKUNHWSA-N 0 3 286.332 -1.155 20 0 CAADHN CC(C)[C@H](C(=O)NCCNCC(N)=O)N1CCCC1=O ZINC001153421479 779839391 /nfs/dbraw/zinc/83/93/91/779839391.db2.gz YZNOUDHXIKXGSC-GFCCVEGCSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NCCNC(=O)c1ccon1)C(=O)NC(N)=O ZINC001124191496 779706142 /nfs/dbraw/zinc/70/61/42/779706142.db2.gz OIBQKPHZPDYFKL-LURJTMIESA-N 0 3 269.261 -1.423 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124186631 779706158 /nfs/dbraw/zinc/70/61/58/779706158.db2.gz LZEXNFWUQFELAG-LURJTMIESA-N 0 3 289.292 -2.368 20 0 CAADHN COC(=O)NCC(=O)NCCNCC(=O)NCC(C)C ZINC001124176392 779706197 /nfs/dbraw/zinc/70/61/97/779706197.db2.gz GPHGSCSNBUIWTO-UHFFFAOYSA-N 0 3 288.348 -1.180 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124186632 779706300 /nfs/dbraw/zinc/70/63/00/779706300.db2.gz LZEXNFWUQFELAG-ZCFIWIBFSA-N 0 3 289.292 -2.368 20 0 CAADHN COC(=O)NCC(=O)NCCNCc1cnn(C)c1 ZINC001124181994 779706454 /nfs/dbraw/zinc/70/64/54/779706454.db2.gz OAZXYHJSPSNMFJ-UHFFFAOYSA-N 0 3 269.305 -1.018 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccon1 ZINC001124190774 779706465 /nfs/dbraw/zinc/70/64/65/779706465.db2.gz FYBHROHRQYAJPQ-ZETCQYMHSA-N 0 3 283.288 -1.162 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CNC(=O)OC)C1=O ZINC001124176883 779706696 /nfs/dbraw/zinc/70/66/96/779706696.db2.gz LUWZLXWNYUDQIQ-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnns1)C(=O)NC(N)=O ZINC001124182440 779706737 /nfs/dbraw/zinc/70/67/37/779706737.db2.gz XWVSJVXUMIKKLM-RXMQYKEDSA-N 0 3 286.317 -1.559 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)OC ZINC001124186654 779706765 /nfs/dbraw/zinc/70/67/65/779706765.db2.gz MUNAGLNAQLVQLU-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccon1)C(=O)NC(N)=O ZINC001124191497 779706840 /nfs/dbraw/zinc/70/68/40/779706840.db2.gz OIBQKPHZPDYFKL-ZCFIWIBFSA-N 0 3 269.261 -1.423 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H]2CCNC2=O)[nH]n1 ZINC001124233269 779707322 /nfs/dbraw/zinc/70/73/22/779707322.db2.gz DGUHEDNHBYYZCF-MRVPVSSYSA-N 0 3 251.290 -1.074 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C)OC ZINC001124272091 779707354 /nfs/dbraw/zinc/70/73/54/779707354.db2.gz CIPGYTJIKFJFJJ-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CO[C@@H](C)C(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001124271881 779707374 /nfs/dbraw/zinc/70/73/74/779707374.db2.gz BTJHUMOUZHPXJD-QMMMGPOBSA-N 0 3 286.332 -1.285 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cncs1 ZINC001124237990 779707428 /nfs/dbraw/zinc/70/74/28/779707428.db2.gz BVRWVDBUTWSIEM-UHFFFAOYSA-N 0 3 285.329 -1.082 20 0 CAADHN Cc1cc(C(=O)NCCNCC(=O)N2CCOCC2)[nH]n1 ZINC001124233868 779707522 /nfs/dbraw/zinc/70/75/22/779707522.db2.gz XPYOMNRZFPXFMO-UHFFFAOYSA-N 0 3 295.343 -1.104 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)OC ZINC001124272093 779707545 /nfs/dbraw/zinc/70/75/45/779707545.db2.gz CIPGYTJIKFJFJJ-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)nn1C ZINC001124264975 779707633 /nfs/dbraw/zinc/70/76/33/779707633.db2.gz CNMMUGVLWWMHTJ-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C)OC ZINC001124272090 779707746 /nfs/dbraw/zinc/70/77/46/779707746.db2.gz CIPGYTJIKFJFJJ-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H]2CCNC2=O)n(C)n1 ZINC001124256888 779707820 /nfs/dbraw/zinc/70/78/20/779707820.db2.gz IWLFPAQXNZUMBM-SECBINFHSA-N 0 3 265.317 -1.064 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)n(C)n1 ZINC001124256881 779707996 /nfs/dbraw/zinc/70/79/96/779707996.db2.gz ITYFSYGBERWCKT-SECBINFHSA-N 0 3 293.327 -1.147 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CS(=O)(=O)N(C)C ZINC001149448228 779777286 /nfs/dbraw/zinc/77/72/86/779777286.db2.gz SQXXPOHREZWYMJ-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CS(=O)(=O)N(C)C ZINC001149448229 779777381 /nfs/dbraw/zinc/77/73/81/779777381.db2.gz SQXXPOHREZWYMJ-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001149455202 779777487 /nfs/dbraw/zinc/77/74/87/779777487.db2.gz HIMQRGBDOMYSFP-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN CCNC(=O)CNCCNC(=O)CS(=O)(=O)N(C)C ZINC001149433463 779777890 /nfs/dbraw/zinc/77/78/90/779777890.db2.gz VYHARMSYJNOHQI-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001149455201 779777931 /nfs/dbraw/zinc/77/79/31/779777931.db2.gz HIMQRGBDOMYSFP-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H](NCCNC(=O)CS(=O)(=O)N(C)C)C(N)=O ZINC001149432584 779777980 /nfs/dbraw/zinc/77/79/80/779777980.db2.gz LWTGVDLQWGUCBN-ZETCQYMHSA-N 0 3 280.350 -2.543 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NCCNCC(N)=O ZINC001149433479 779778102 /nfs/dbraw/zinc/77/81/02/779778102.db2.gz WGNXLZQKKAMSMI-UHFFFAOYSA-N 0 3 266.323 -2.931 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NC[C@@H]1CN(CCO)CCCO1 ZINC001150434917 779793906 /nfs/dbraw/zinc/79/39/06/779793906.db2.gz FIDBNUAYDHMDAF-NWDGAFQWSA-N 0 3 299.371 -1.146 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NC[C@H]1CN(CCO)CCCO1 ZINC001150434915 779793918 /nfs/dbraw/zinc/79/39/18/779793918.db2.gz FIDBNUAYDHMDAF-NEPJUHHUSA-N 0 3 299.371 -1.146 20 0 CAADHN CC[C@H](NCCNC(=O)CCNC(N)=O)C(N)=O ZINC001150431745 779794001 /nfs/dbraw/zinc/79/40/01/779794001.db2.gz GDWFCCOHDOOFDH-ZETCQYMHSA-N 0 3 259.310 -1.986 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CCNC(N)=O)C1=O ZINC001150431850 779794038 /nfs/dbraw/zinc/79/40/38/779794038.db2.gz JFUGVOBXNFRPSK-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN NC(=O)NCCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001150424697 779794098 /nfs/dbraw/zinc/79/40/98/779794098.db2.gz ZVUXTZSYRIZAAK-UHFFFAOYSA-N 0 3 299.375 -1.191 20 0 CAADHN CN(C)C(=O)CC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150418334 779794142 /nfs/dbraw/zinc/79/41/42/779794142.db2.gz YXHHSBMNQSGXNZ-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN CCCC[C@@H](NCCNC(=O)CCNC(N)=O)C(N)=O ZINC001150432632 779794170 /nfs/dbraw/zinc/79/41/70/779794170.db2.gz YJVXGSVLCJGLNX-SECBINFHSA-N 0 3 287.364 -1.205 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CCNC(N)=O)C1=O ZINC001150432650 779794190 /nfs/dbraw/zinc/79/41/90/779794190.db2.gz ZBTFHYSJBLSKDF-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN C[C@@H](NCCNC(=O)CCNC(N)=O)C(=O)NC(N)=O ZINC001150432281 779794367 /nfs/dbraw/zinc/79/43/67/779794367.db2.gz OYBLSQIUMAZVMQ-ZCFIWIBFSA-N 0 3 288.308 -2.666 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NC[C@H]1CN(CCO)CCCO1 ZINC001150434918 779794975 /nfs/dbraw/zinc/79/49/75/779794975.db2.gz FIDBNUAYDHMDAF-RYUDHWBXSA-N 0 3 299.371 -1.146 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCC(=O)N(C)C1)C(N)=O ZINC001152510738 779826885 /nfs/dbraw/zinc/82/68/85/779826885.db2.gz WTQRXYCENSDXHS-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)NC2CC2)CCC1=O ZINC001152521687 779827060 /nfs/dbraw/zinc/82/70/60/779827060.db2.gz CIXGMYAXEFHIFF-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(C(N)=O)cs1 ZINC001152588819 779827125 /nfs/dbraw/zinc/82/71/25/779827125.db2.gz DFLRGUSPIQQGNZ-UHFFFAOYSA-N 0 3 284.341 -1.088 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(N)=O)CCC1=O ZINC001152522012 779827200 /nfs/dbraw/zinc/82/72/00/779827200.db2.gz IKRBZIXPXXZVSF-QMMMGPOBSA-N 0 3 256.306 -1.954 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCC(=O)N(C)C1)C(N)=O ZINC001152510736 779827529 /nfs/dbraw/zinc/82/75/29/779827529.db2.gz WTQRXYCENSDXHS-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)CCC1=O ZINC001152522306 779827870 /nfs/dbraw/zinc/82/78/70/779827870.db2.gz LETCNWGMDJLFBC-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H](C)CS(C)(=O)=O)C(N)=O ZINC001152617816 779827889 /nfs/dbraw/zinc/82/78/89/779827889.db2.gz FESLZNYSPNWZCM-DTWKUNHWSA-N 0 3 293.389 -1.363 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCN1C(C)=O ZINC001152790511 779832442 /nfs/dbraw/zinc/83/24/42/779832442.db2.gz ZUAVAKMFIUTPPN-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N[C@](C)(C(=O)NCCNCC(N)=O)C(C)C ZINC001152892412 779832477 /nfs/dbraw/zinc/83/24/77/779832477.db2.gz BIXVHLDHOZDHNQ-LBPRGKRZSA-N 0 3 272.349 -1.272 20 0 CAADHN NC(=O)c1cccc(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001152848278 779832547 /nfs/dbraw/zinc/83/25/47/779832547.db2.gz IDNBIWYTPPNTMV-SECBINFHSA-N 0 3 291.311 -1.612 20 0 CAADHN NC(=O)c1cccc(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001152848279 779832951 /nfs/dbraw/zinc/83/29/51/779832951.db2.gz IDNBIWYTPPNTMV-VIFPVBQESA-N 0 3 291.311 -1.612 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCCN1C(C)=O)C(N)=O ZINC001152790355 779833104 /nfs/dbraw/zinc/83/31/04/779833104.db2.gz XIGSGDGILKWUQL-WDEREUQCSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cccc(C(N)=O)n1 ZINC001152847905 779833180 /nfs/dbraw/zinc/83/31/80/779833180.db2.gz BXGUVXKIXMNFDK-UHFFFAOYSA-N 0 3 279.300 -1.754 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCN1C(C)=O ZINC001152790512 779833360 /nfs/dbraw/zinc/83/33/60/779833360.db2.gz ZUAVAKMFIUTPPN-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)N1CCOC2(CNC2)C1 ZINC001118576599 779577797 /nfs/dbraw/zinc/57/77/97/779577797.db2.gz RIBQNWPNOKPGQE-MRVPVSSYSA-N 0 3 257.290 -1.922 20 0 CAADHN Nc1nc(N)nc(NC[C@@H]2CCS(=O)(=O)C2)n1 ZINC001118806088 779588627 /nfs/dbraw/zinc/58/86/27/779588627.db2.gz NHSZCINMKZWHQX-YFKPBYRVSA-N 0 3 258.307 -1.117 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001160659866 779974879 /nfs/dbraw/zinc/97/48/79/779974879.db2.gz BNDZWLWYCNKBHG-QPFGOUBPSA-N 0 3 297.402 -2.158 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC001118963797 779601157 /nfs/dbraw/zinc/60/11/57/779601157.db2.gz XJOUKVAPXKQJTL-UHFFFAOYSA-N 0 3 277.346 -1.949 20 0 CAADHN CCOC(=O)CS(=O)(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001238922055 780526382 /nfs/dbraw/zinc/52/63/82/780526382.db2.gz QXPHPOYNOVPHOG-RQJHMYQMSA-N 0 3 254.283 -1.140 20 0 CAADHN NCCS(=O)(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001238967848 780526594 /nfs/dbraw/zinc/52/65/94/780526594.db2.gz VAKTXQANOAHXSC-UHFFFAOYSA-N 0 3 261.303 -1.892 20 0 CAADHN C[C@]1(CO)CN(S(=O)(=O)CCN)CC[C@@H]1O ZINC001238985340 780526851 /nfs/dbraw/zinc/52/68/51/780526851.db2.gz BLLLEJMQXVYNTA-DTWKUNHWSA-N 0 3 252.336 -1.660 20 0 CAADHN CC(C)(C)N(C[C@@H](O)CO)S(=O)(=O)CCN ZINC001238988256 780526900 /nfs/dbraw/zinc/52/69/00/780526900.db2.gz KHSNRKORNWMIGE-MRVPVSSYSA-N 0 3 254.352 -1.271 20 0 CAADHN CCOC(=O)[C@@H]1CN(S(=O)(=O)CCN)CCC1=O ZINC001238990278 780527396 /nfs/dbraw/zinc/52/73/96/780527396.db2.gz TVLXQNCFGFLVGA-MRVPVSSYSA-N 0 3 278.330 -1.271 20 0 CAADHN COC(=O)[C@@H]1C[C@H](F)CN1S(=O)(=O)CCN ZINC001238987322 780527742 /nfs/dbraw/zinc/52/77/42/780527742.db2.gz GABMBWOQHOMEGZ-BQBZGAKWSA-N 0 3 254.283 -1.140 20 0 CAADHN NCCS(=O)(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001238986131 780527785 /nfs/dbraw/zinc/52/77/85/780527785.db2.gz HOVRWIGJLVFDAS-UHFFFAOYSA-N 0 3 289.279 -1.019 20 0 CAADHN CCOC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)CCN ZINC001239083789 780530052 /nfs/dbraw/zinc/53/00/52/780530052.db2.gz JPZYPPKWLNTQAC-MRVPVSSYSA-N 0 3 293.345 -1.972 20 0 CAADHN COC[C@]12COC[C@H]1CN(S(=O)(=O)CCN)C2 ZINC001239082103 780530068 /nfs/dbraw/zinc/53/00/68/780530068.db2.gz QBKYXGSAKWTJJF-NXEZZACHSA-N 0 3 264.347 -1.130 20 0 CAADHN CCOC(=O)[C@@H]1CN(S(=O)(=O)CCN)CCO1 ZINC001239094054 780530208 /nfs/dbraw/zinc/53/02/08/780530208.db2.gz HXSLCRUMWQPDQK-QMMMGPOBSA-N 0 3 266.319 -1.461 20 0 CAADHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2S(=O)(=O)CCN)O1 ZINC001239076496 780530349 /nfs/dbraw/zinc/53/03/49/780530349.db2.gz UFDPSWIOFWRGLS-OPRDCNLKSA-N 0 3 291.373 -1.405 20 0 CAADHN CCOC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)CCN ZINC001239083790 780530468 /nfs/dbraw/zinc/53/04/68/780530468.db2.gz JPZYPPKWLNTQAC-QMMMGPOBSA-N 0 3 293.345 -1.972 20 0 CAADHN CCNC(=O)CO[C@@H]1CCCN(S(=O)(=O)CCN)C1 ZINC001239101826 780530658 /nfs/dbraw/zinc/53/06/58/780530658.db2.gz VPJGUOYRSOCSOW-SNVBAGLBSA-N 0 3 293.389 -1.108 20 0 CAADHN NCCS(=O)(=O)N1CCC[C@@]2(CCNC2=O)C1 ZINC001239076467 780530736 /nfs/dbraw/zinc/53/07/36/780530736.db2.gz QTVDLASDIVDMMA-SNVBAGLBSA-N 0 3 261.347 -1.123 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)CCN)CCN1 ZINC001239072704 780530788 /nfs/dbraw/zinc/53/07/88/780530788.db2.gz BEEWUCKYKSQRDX-ZETCQYMHSA-N 0 3 251.308 -2.278 20 0 CAADHN COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)CCN ZINC001239099606 780530854 /nfs/dbraw/zinc/53/08/54/780530854.db2.gz LNVRQXYADRSQNM-ILWJIGKKSA-N 0 3 292.357 -1.073 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)c2cn[nH]c2)C[C@H]1N ZINC001239136258 780532417 /nfs/dbraw/zinc/53/24/17/780532417.db2.gz RAXAKFLJVZNKRN-JGVFFNPUSA-N 0 3 274.302 -1.470 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)N(C)C)C[C@H]1N ZINC001239134249 780532430 /nfs/dbraw/zinc/53/24/30/780532430.db2.gz KAAQHLYNEXKCRP-NKWVEPMBSA-N 0 3 251.308 -1.775 20 0 CAADHN COC(=O)CS(=O)(=O)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239133472 780532461 /nfs/dbraw/zinc/53/24/61/780532461.db2.gz DEDLICWGARHNOP-NKWVEPMBSA-N 0 3 280.302 -2.079 20 0 CAADHN COC(=O)[C@H]1CN(C(C)=O)CCN1S(=O)(=O)CCN ZINC001239123523 780532642 /nfs/dbraw/zinc/53/26/42/780532642.db2.gz LXTVSINAKNNGLA-SECBINFHSA-N 0 3 293.345 -2.019 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)N(C)C)C[C@@H]1N ZINC001239134251 780532658 /nfs/dbraw/zinc/53/26/58/780532658.db2.gz KAAQHLYNEXKCRP-RQJHMYQMSA-N 0 3 251.308 -1.775 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)c2nccn2C)C[C@@H]1N ZINC001239134741 780532687 /nfs/dbraw/zinc/53/26/87/780532687.db2.gz JOIXTJWHKRMWBF-YUMQZZPRSA-N 0 3 288.329 -1.459 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)C[C@@H]1N ZINC001239135790 780532728 /nfs/dbraw/zinc/53/27/28/780532728.db2.gz PIOLVTZFMADVAB-BDAKNGLRSA-N 0 3 288.329 -1.459 20 0 CAADHN COC(=O)[C@@H]1CN(C(C)=O)CCN1S(=O)(=O)CCN ZINC001239123524 780532803 /nfs/dbraw/zinc/53/28/03/780532803.db2.gz LXTVSINAKNNGLA-VIFPVBQESA-N 0 3 293.345 -2.019 20 0 CAADHN NCCS(=O)(=O)N1CCN(c2ncc(O)cn2)CC1 ZINC001239125191 780532982 /nfs/dbraw/zinc/53/29/82/780532982.db2.gz FXOLASOEVWNXNX-UHFFFAOYSA-N 0 3 287.345 -1.407 20 0 CAADHN CCOCCS(=O)(=O)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239134379 780533033 /nfs/dbraw/zinc/53/30/33/780533033.db2.gz HVELCNKYXPAUEN-DTWKUNHWSA-N 0 3 280.346 -1.215 20 0 CAADHN CCOCCS(=O)(=O)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239134378 780533094 /nfs/dbraw/zinc/53/30/94/780533094.db2.gz HVELCNKYXPAUEN-BDAKNGLRSA-N 0 3 280.346 -1.215 20 0 CAADHN CCOCCS(=O)(=O)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239134380 780533113 /nfs/dbraw/zinc/53/31/13/780533113.db2.gz HVELCNKYXPAUEN-IUCAKERBSA-N 0 3 280.346 -1.215 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@H]1N ZINC001239133573 780533239 /nfs/dbraw/zinc/53/32/39/780533239.db2.gz CONWYSGAWUIPCD-RNFRBKRXSA-N 0 3 274.302 -1.470 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@H]1N ZINC001239134788 780533279 /nfs/dbraw/zinc/53/32/79/780533279.db2.gz KFUYHBAOZGPVMD-IVZWLZJFSA-N 0 3 292.357 -1.073 20 0 CAADHN CCOC(=O)CNC(=O)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239297421 780534507 /nfs/dbraw/zinc/53/45/07/780534507.db2.gz DISRRKLOFGCQII-SFYZADRCSA-N 0 3 273.289 -1.309 20 0 CAADHN COC(=O)[C@H]1CN(C)CCN1S(=O)(=O)CCN ZINC001239143388 780534788 /nfs/dbraw/zinc/53/47/88/780534788.db2.gz RUZNRSUJBIVIMN-MRVPVSSYSA-N 0 3 265.335 -1.936 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)CCN)CCN1C(C)=O ZINC001239153224 780534960 /nfs/dbraw/zinc/53/49/60/780534960.db2.gz CJOSCHWGIBGILY-VIFPVBQESA-N 0 3 293.345 -2.019 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)C(F)F)C[C@H]1N ZINC001239137518 780535155 /nfs/dbraw/zinc/53/51/55/780535155.db2.gz XUYQJMIAQDTBGR-CRCLSJGQSA-N 0 3 258.246 -1.029 20 0 CAADHN CCOC(=O)CNC(=O)NCCCC[C@H](N)C(N)=O ZINC001239243176 780535204 /nfs/dbraw/zinc/53/52/04/780535204.db2.gz GJLHABZMWDXGMI-QMMMGPOBSA-N 0 3 274.321 -1.168 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CCOC[C@]3(CNCCO3)C2)CN1 ZINC001246602089 780558227 /nfs/dbraw/zinc/55/82/27/780558227.db2.gz IYRLUCUHRVKWFS-DYEKYZERSA-N 0 3 299.371 -1.419 20 0 CAADHN CN(C)CCN1CCN(S(=O)(=O)N(C)C)CCC1=O ZINC001251079425 780574270 /nfs/dbraw/zinc/57/42/70/780574270.db2.gz OXNAFGBWTWWWIP-UHFFFAOYSA-N 0 3 292.405 -1.111 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)C1CC1 ZINC001278744653 780596548 /nfs/dbraw/zinc/59/65/48/780596548.db2.gz VUAZHSMYTSPPTL-PSASIEDQSA-N 0 3 257.334 -1.073 20 0 CAADHN O=C1C=CC(=O)N1CCN[C@@H]1CCS(=O)(=O)C1 ZINC001254317879 780602312 /nfs/dbraw/zinc/60/23/12/780602312.db2.gz RBPHNSJGEIGOKC-MRVPVSSYSA-N 0 3 258.299 -1.312 20 0 CAADHN Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001278797230 780605264 /nfs/dbraw/zinc/60/52/64/780605264.db2.gz IHEDOJUZEZITCO-SNVBAGLBSA-N 0 3 283.332 -1.877 20 0 CAADHN C[C@]1(C(=O)NC[C@@]2(O)CCN(CCO)C2)CCNC1=O ZINC001278805958 780607904 /nfs/dbraw/zinc/60/79/04/780607904.db2.gz TVPPUEZUSFPQNM-STQMWFEESA-N 0 3 285.344 -1.942 20 0 CAADHN CNC(=O)C1(C(=O)N(C)C[C@@H](O)CN(C)CCO)CC1 ZINC001278877664 780617800 /nfs/dbraw/zinc/61/78/00/780617800.db2.gz ABXHDVGVVOAMDW-JTQLQIEISA-N 0 3 287.360 -1.744 20 0 CAADHN CS(=O)(=O)N1CCC(N[C@@H](CC(N)=O)C(N)=O)CC1 ZINC001257230921 780628025 /nfs/dbraw/zinc/62/80/25/780628025.db2.gz MYDMOCYBNOFRNY-QMMMGPOBSA-N 0 3 292.361 -2.271 20 0 CAADHN CS(=O)(=O)N1CCC(NCC(=O)CCO)CC1 ZINC001257228218 780628247 /nfs/dbraw/zinc/62/82/47/780628247.db2.gz IASRDHRMPYWXHA-UHFFFAOYSA-N 0 3 264.347 -1.049 20 0 CAADHN CS(=O)(=O)N1CCC(NC2(CO)COC2)CC1 ZINC001257226457 780628257 /nfs/dbraw/zinc/62/82/57/780628257.db2.gz BZKUYMBVMSMKRE-UHFFFAOYSA-N 0 3 264.347 -1.239 20 0 CAADHN NC(=O)CNC(=O)CNC(=O)CN[C@H]1CCCSC1 ZINC001257667196 780630470 /nfs/dbraw/zinc/63/04/70/780630470.db2.gz FJGPONIUGNCSRA-QMMMGPOBSA-N 0 3 288.373 -1.811 20 0 CAADHN COC(=O)CCS(=O)(=O)CC[C@H](C)NCC(N)=O ZINC001257912260 780630819 /nfs/dbraw/zinc/63/08/19/780630819.db2.gz DJDZJZGBIRZIEQ-QMMMGPOBSA-N 0 3 280.346 -1.182 20 0 CAADHN OC[C@H]1O[C@H](O)[C@H](N[C@H]2CCCSC2)[C@@H](O)[C@@H]1O ZINC001257662688 780630854 /nfs/dbraw/zinc/63/08/54/780630854.db2.gz PWYSXMZZXITFTA-KEWAQLPFSA-N 0 3 279.358 -1.729 20 0 CAADHN COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001221188606 780405906 /nfs/dbraw/zinc/40/59/06/780405906.db2.gz YWQDVAPPKRCQCD-BQBZGAKWSA-N 0 3 285.308 -2.534 20 0 CAADHN COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001221188606 780405909 /nfs/dbraw/zinc/40/59/09/780405909.db2.gz YWQDVAPPKRCQCD-BQBZGAKWSA-N 0 3 285.308 -2.534 20 0 CAADHN N[C@@H](CC1CCC1)C(=O)N1CN[C@@H](N)[C@H]2NCN[C@H]21 ZINC001221264971 780409986 /nfs/dbraw/zinc/40/99/86/780409986.db2.gz DGSKDAQRHLGIJW-ZDCRXTMVSA-N 0 3 268.365 -1.977 20 0 CAADHN N[C@@H](CC1CCC1)C(=O)N1CN[C@@H](N)[C@@H]2NCN[C@@H]21 ZINC001221264970 780410364 /nfs/dbraw/zinc/41/03/64/780410364.db2.gz DGSKDAQRHLGIJW-UKKRHICBSA-N 0 3 268.365 -1.977 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001221264931 780410390 /nfs/dbraw/zinc/41/03/90/780410390.db2.gz CNSANRGAYUQAOJ-QBIYCVTQSA-N 0 3 290.393 -3.399 20 0 CAADHN NC(=O)NCC(=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001221264616 780410627 /nfs/dbraw/zinc/41/06/27/780410627.db2.gz TYWLXYPPNVAZAY-NXEZZACHSA-N 0 3 270.333 -1.430 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221268977 780412721 /nfs/dbraw/zinc/41/27/21/780412721.db2.gz GKADCEDKEKAUQZ-SNFQMMDSSA-N 0 3 275.374 -1.133 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269846 780413107 /nfs/dbraw/zinc/41/31/07/780413107.db2.gz ZGUPPGMQJYTOQB-DTWKUNHWSA-N 0 3 285.348 -1.453 20 0 CAADHN CC[C@H](C(N)=O)N1CCC(CNC(=O)CC(N)=O)CC1 ZINC001222695469 780427455 /nfs/dbraw/zinc/42/74/55/780427455.db2.gz NYTCFDCUFRBFCT-SNVBAGLBSA-N 0 3 284.360 -1.046 20 0 CAADHN NC(=O)CC(=O)NCC1CCN(CCn2cncn2)CC1 ZINC001222695877 780427594 /nfs/dbraw/zinc/42/75/94/780427594.db2.gz YQTIWYASKNEEEG-UHFFFAOYSA-N 0 3 294.359 -1.018 20 0 CAADHN COC[C@H](O)CN1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001223401640 780431020 /nfs/dbraw/zinc/43/10/20/780431020.db2.gz OGZYRANIRXIFNU-MXWKQRLJSA-N 0 3 285.344 -1.598 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001223401643 780431144 /nfs/dbraw/zinc/43/11/44/780431144.db2.gz OGZYRANIRXIFNU-VWYCJHECSA-N 0 3 285.344 -1.598 20 0 CAADHN CN(C)S(=O)(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001238065016 780512679 /nfs/dbraw/zinc/51/26/79/780512679.db2.gz UNFQCHGGSLTALF-JGVFFNPUSA-N 0 3 255.315 -1.555 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)Cc1[nH]cnc1C ZINC001278187117 780513102 /nfs/dbraw/zinc/51/31/02/780513102.db2.gz NVYSNGYRILHOKA-SNVBAGLBSA-N 0 3 270.333 -1.026 20 0 CAADHN COCCN[C@H](CO)CNC(=O)Cc1[nH]cnc1C ZINC001278187114 780513208 /nfs/dbraw/zinc/51/32/08/780513208.db2.gz NVYSNGYRILHOKA-JTQLQIEISA-N 0 3 270.333 -1.026 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)N[C@H]1CCNC[C@H]1F ZINC001238048695 780513317 /nfs/dbraw/zinc/51/33/17/780513317.db2.gz AXWXNMPBBBRHFP-RQJHMYQMSA-N 0 3 274.339 -1.392 20 0 CAADHN CCOC(=O)CS(=O)(=O)[N-][C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238324697 780515438 /nfs/dbraw/zinc/51/54/38/780515438.db2.gz BEANTLJWOLFDPS-GMSGAONNSA-N 0 3 291.329 -1.953 20 0 CAADHN CCOC(=O)CS(=O)(=O)[N-][C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238324718 780515638 /nfs/dbraw/zinc/51/56/38/780515638.db2.gz BEANTLJWOLFDPS-OIBJUYFYSA-N 0 3 291.329 -1.953 20 0 CAADHN O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)C2CCOCC2)N1 ZINC001238327626 780515828 /nfs/dbraw/zinc/51/58/28/780515828.db2.gz GQYKJHPVSWRXDZ-ONGXEEELSA-N 0 3 289.357 -1.337 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1ccc(C(N)=O)cn1 ZINC001278202869 780515859 /nfs/dbraw/zinc/51/58/59/780515859.db2.gz VWPUFJBHADCYJZ-JTQLQIEISA-N 0 3 296.327 -1.493 20 0 CAADHN COCCS(=O)(=O)[N-][C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238334145 780515948 /nfs/dbraw/zinc/51/59/48/780515948.db2.gz XJTIWAGCPYEZGB-VXNVDRBHSA-N 0 3 263.319 -1.870 20 0 CAADHN CCOC(=O)CS(=O)(=O)[N-][C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238324721 780516009 /nfs/dbraw/zinc/51/60/09/780516009.db2.gz BEANTLJWOLFDPS-XVKPBYJWSA-N 0 3 291.329 -1.953 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001278212863 780516108 /nfs/dbraw/zinc/51/61/08/780516108.db2.gz MJHYXKNGXPGIBD-JTQLQIEISA-N 0 3 296.327 -1.493 20 0 CAADHN COC(=O)[C@H]([N-]S(=O)(=O)CC[NH3+])C1CCOCC1 ZINC001238397433 780518377 /nfs/dbraw/zinc/51/83/77/780518377.db2.gz MHEYBVLFJMMJNK-SECBINFHSA-N 0 3 280.346 -1.167 20 0 CAADHN COC(=O)[C@@H]([N-]S(=O)(=O)CC[NH3+])C1CCOCC1 ZINC001238396269 780518906 /nfs/dbraw/zinc/51/89/06/780518906.db2.gz MHEYBVLFJMMJNK-VIFPVBQESA-N 0 3 280.346 -1.167 20 0 CAADHN CC1(C)O[C@@H]2[C@@H](O)C[C@@H](NS(=O)(=O)CCN)[C@@H]2O1 ZINC001238484218 780519036 /nfs/dbraw/zinc/51/90/36/780519036.db2.gz YAHQORSTNCDDIM-RYPBNFRJSA-N 0 3 280.346 -1.482 20 0 CAADHN NCCS(=O)(=O)NCC1(N2CCCC2)COC1 ZINC001238498981 780519212 /nfs/dbraw/zinc/51/92/12/780519212.db2.gz GANIMVVDWBMTTG-UHFFFAOYSA-N 0 3 263.363 -1.271 20 0 CAADHN NCCS(=O)(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001238469190 780519272 /nfs/dbraw/zinc/51/92/72/780519272.db2.gz HUCGCVGTKKTVBS-UHFFFAOYSA-N 0 3 268.360 -1.558 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CC(N)=O)C1CCCC1 ZINC001278226882 780519478 /nfs/dbraw/zinc/51/94/78/780519478.db2.gz VUFWOENZLATAJI-JTQLQIEISA-N 0 3 284.360 -1.128 20 0 CAADHN CN1CC[C@@H](NC[C@H](NC(=O)C(N)=O)C2CCCC2)C1=O ZINC001278268170 780521754 /nfs/dbraw/zinc/52/17/54/780521754.db2.gz SFRFBIQJQXLKTG-MNOVXSKESA-N 0 3 296.371 -1.033 20 0 CAADHN COCCS(=O)(=O)NCCCC[C@H](N)C(N)=O ZINC001238837862 780524561 /nfs/dbraw/zinc/52/45/61/780524561.db2.gz WYMZTRVZNHCVSR-QMMMGPOBSA-N 0 3 267.351 -1.465 20 0 CAADHN COC(=O)CCS(=O)(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001238921916 780524714 /nfs/dbraw/zinc/52/47/14/780524714.db2.gz JZZCBNSCQIBKND-RQJHMYQMSA-N 0 3 254.283 -1.140 20 0 CAADHN COCCS(=O)(=O)[N-][C@@H](CCC[NH3+])C(=O)OC ZINC001238840455 780525203 /nfs/dbraw/zinc/52/52/03/780525203.db2.gz PJXOGGBQDXRHPK-QMMMGPOBSA-N 0 3 268.335 -1.167 20 0 CAADHN CN(CC(=O)N1CCOCC1)S(=O)(=O)CCN ZINC001238918208 780525780 /nfs/dbraw/zinc/52/57/80/780525780.db2.gz CZOKNWQFIICUKT-UHFFFAOYSA-N 0 3 265.335 -1.935 20 0 CAADHN NCCS(=O)(=O)N1CCN([C@H]2CCOC2)CC1 ZINC001238921706 780526000 /nfs/dbraw/zinc/52/60/00/780526000.db2.gz NSDHCNVUFWXYOQ-JTQLQIEISA-N 0 3 263.363 -1.319 20 0 CAADHN NS(=O)(=O)[C@H]1CCN(CC[C@H]2CCNC2=O)C1 ZINC001261544482 780671487 /nfs/dbraw/zinc/67/14/87/780671487.db2.gz UHRVQSYLZTXBMK-BDAKNGLRSA-N 0 3 261.347 -1.125 20 0 CAADHN Cc1nnc(CC(=O)NCCN2CC[C@@H](O)C2)[nH]1 ZINC001261833830 780689591 /nfs/dbraw/zinc/68/95/91/780689591.db2.gz MQTGLFSMCQCHIX-SECBINFHSA-N 0 3 253.306 -1.162 20 0 CAADHN O=C(CCN1C(=O)CCC1=O)NCCN1CC[C@@H](O)C1 ZINC001261833801 780689664 /nfs/dbraw/zinc/68/96/64/780689664.db2.gz LTHNERJPPKJHKJ-SNVBAGLBSA-N 0 3 283.328 -1.292 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CN3CCC2CC3)C1=O ZINC001262647886 780717106 /nfs/dbraw/zinc/71/71/06/780717106.db2.gz RRMFUSMYNGOMKD-SECBINFHSA-N 0 3 294.311 -1.383 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N[C@H]2CN3CCC2CC3)C1=O ZINC001262647887 780717415 /nfs/dbraw/zinc/71/74/15/780717415.db2.gz RRMFUSMYNGOMKD-VIFPVBQESA-N 0 3 294.311 -1.383 20 0 CAADHN CN1CCC[C@H](NC(=O)[C@H]2CN(C)C(=O)CN2)C1 ZINC001263097464 780719997 /nfs/dbraw/zinc/71/99/97/780719997.db2.gz XOROJEDUYBNBFU-VHSXEESVSA-N 0 3 254.334 -1.373 20 0 CAADHN CN1CCC[C@@H](NC(=O)[C@@H]2CN(C)C(=O)CN2)C1 ZINC001263097465 780720132 /nfs/dbraw/zinc/72/01/32/780720132.db2.gz XOROJEDUYBNBFU-ZJUUUORDSA-N 0 3 254.334 -1.373 20 0 CAADHN N[C@H](CO)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC001263102123 780720204 /nfs/dbraw/zinc/72/02/04/780720204.db2.gz LPTGLNHKXMIIEO-GHMZBOCLSA-N 0 3 257.334 -1.513 20 0 CAADHN CN1CCC[C@@H](NC(=O)[C@H]2CN(C)C(=O)CN2)C1 ZINC001263097462 780720269 /nfs/dbraw/zinc/72/02/69/780720269.db2.gz XOROJEDUYBNBFU-NXEZZACHSA-N 0 3 254.334 -1.373 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCCN1CCNC1=O ZINC001263183894 780723815 /nfs/dbraw/zinc/72/38/15/780723815.db2.gz FLKIKVRYOKNPJF-SECBINFHSA-N 0 3 255.322 -1.969 20 0 CAADHN O=C(CNC[C@H](O)CN1CCOCC1)N1CCOCC1 ZINC000379825489 780727299 /nfs/dbraw/zinc/72/72/99/780727299.db2.gz MIGWEJVRLMDNSF-LBPRGKRZSA-N 0 3 287.360 -1.872 20 0 CAADHN COC(=O)[C@H](O)CNC1CCS(=O)(=O)CC1 ZINC000381054396 780727830 /nfs/dbraw/zinc/72/78/30/780727830.db2.gz IUTVNXMOXOYZQC-MRVPVSSYSA-N 0 3 251.304 -1.313 20 0 CAADHN COC(=O)[C@@H](O)CNC1CCS(=O)(=O)CC1 ZINC000381054397 780728185 /nfs/dbraw/zinc/72/81/85/780728185.db2.gz IUTVNXMOXOYZQC-QMMMGPOBSA-N 0 3 251.304 -1.313 20 0 CAADHN CC(=O)N[C@@H]1CCN(C[C@H](O)CN2CCOCC2)C1 ZINC000389095860 780738485 /nfs/dbraw/zinc/73/84/85/780738485.db2.gz HODTVBUSFHWHSJ-CHWSQXEVSA-N 0 3 271.361 -1.110 20 0 CAADHN NC(=O)C1(C(=O)N2CCC[C@@H](N(CCO)CCO)C2)CC1 ZINC001264634215 780738985 /nfs/dbraw/zinc/73/89/85/780738985.db2.gz LEOAGEYKIMMJQT-LLVKDONJSA-N 0 3 299.371 -1.471 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)C1=CCOCC1 ZINC001279695977 780776359 /nfs/dbraw/zinc/77/63/59/780776359.db2.gz YSLHTESESAINRQ-UHFFFAOYSA-N 0 3 285.344 -1.510 20 0 CAADHN Cc1ncccc1CNCCN(CCO)C(=O)C(N)=O ZINC001279809406 780776427 /nfs/dbraw/zinc/77/64/27/780776427.db2.gz ICLSLPJMLGIEBE-UHFFFAOYSA-N 0 3 280.328 -1.214 20 0 CAADHN Cc1nscc1C(=O)N(CCO)CCNCC(N)=O ZINC001279695627 780776466 /nfs/dbraw/zinc/77/64/66/780776466.db2.gz RVMXJVLJRUUUJV-UHFFFAOYSA-N 0 3 286.357 -1.039 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cnnn1C ZINC001279705101 780776597 /nfs/dbraw/zinc/77/65/97/780776597.db2.gz KZRRJBXWUOELMV-UHFFFAOYSA-N 0 3 284.320 -2.415 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1CCCOCC1 ZINC001279705481 780776666 /nfs/dbraw/zinc/77/66/66/780776666.db2.gz UZHIJEUEGUFWLF-LLVKDONJSA-N 0 3 287.360 -1.301 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1cn[nH]n1 ZINC001279753566 780776762 /nfs/dbraw/zinc/77/67/62/780776762.db2.gz PKTVXAYLZVPFFG-UHFFFAOYSA-N 0 3 284.320 -2.083 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001279800377 780776827 /nfs/dbraw/zinc/77/68/27/780776827.db2.gz CJRBZMAHHVHOCG-IAZYJMLFSA-N 0 3 285.344 -1.965 20 0 CAADHN Cn1cncc1C(=O)N(CCO)CCNCC(N)=O ZINC001279753427 780776855 /nfs/dbraw/zinc/77/68/55/780776855.db2.gz LXTLIJKWHAZGLR-UHFFFAOYSA-N 0 3 269.305 -2.071 20 0 CAADHN CCn1nncc1C(=O)N(CCO)CCNCC(=O)NC ZINC001279704402 780776904 /nfs/dbraw/zinc/77/69/04/780776904.db2.gz AVGNMIVMYNBMTG-UHFFFAOYSA-N 0 3 298.347 -1.932 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1conc1C ZINC001279820961 780778075 /nfs/dbraw/zinc/77/80/75/780778075.db2.gz RLQSQVCWIHWDIM-UHFFFAOYSA-N 0 3 284.316 -1.247 20 0 CAADHN Cn1nc(C(=O)N(CCO)CCNCCF)ccc1=O ZINC001279901746 780778176 /nfs/dbraw/zinc/77/81/76/780778176.db2.gz PQELCIBSJAJGMW-UHFFFAOYSA-N 0 3 286.307 -1.226 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1cc(C2CC2)n[nH]1 ZINC001279838633 780778246 /nfs/dbraw/zinc/77/82/46/780778246.db2.gz OVWKNLQFSYEHIT-UHFFFAOYSA-N 0 3 295.343 -1.204 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cnn(C)n1 ZINC001279857623 780778261 /nfs/dbraw/zinc/77/82/61/780778261.db2.gz FFVUDWRCUYNHMF-UHFFFAOYSA-N 0 3 284.320 -2.415 20 0 CAADHN Cn1c(C(=O)N(CCO)CCNCC(N)=O)cccc1=O ZINC001279830712 780778265 /nfs/dbraw/zinc/77/82/65/780778265.db2.gz KZEKUZXJPCLGJK-UHFFFAOYSA-N 0 3 296.327 -2.105 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001281700732 780805865 /nfs/dbraw/zinc/80/58/65/780805865.db2.gz OLMHKWUWCQLEEQ-RKDXNWHRSA-N 0 3 286.332 -2.499 20 0 CAADHN C[C@@H](CNC(=O)c1nnc[nH]1)N(C)[C@H]1CCNC1=O ZINC001282470430 780819212 /nfs/dbraw/zinc/81/92/12/780819212.db2.gz YHPPNMYCCZPGFW-YUMQZZPRSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@@H](CNC(=O)c1ncn[nH]1)N(C)[C@H]1CCNC1=O ZINC001282470430 780819217 /nfs/dbraw/zinc/81/92/17/780819217.db2.gz YHPPNMYCCZPGFW-YUMQZZPRSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@@H](CNC(=O)c1nc[nH]n1)N(C)[C@H]1CCNC1=O ZINC001282470430 780819223 /nfs/dbraw/zinc/81/92/23/780819223.db2.gz YHPPNMYCCZPGFW-YUMQZZPRSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)N(C)CCO ZINC001282478789 780820208 /nfs/dbraw/zinc/82/02/08/780820208.db2.gz UIQHOCYTLCBMFP-VIFPVBQESA-N 0 3 286.332 -1.691 20 0 CAADHN CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1)OC ZINC001190717595 781884937 /nfs/dbraw/zinc/88/49/37/781884937.db2.gz KODMJTLJXFUBPG-QJPTWQEYSA-N 0 3 287.360 -1.291 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001191698288 781918584 /nfs/dbraw/zinc/91/85/84/781918584.db2.gz SSLXLZMDIWTIDL-GMTAPVOTSA-N 0 3 285.344 -1.537 20 0 CAADHN C[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1NCC(N)=O ZINC001054496423 782594548 /nfs/dbraw/zinc/59/45/48/782594548.db2.gz MYZULUQMEZTVLS-HTQZYQBOSA-N 0 3 278.316 -1.406 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1NCC(N)=O ZINC001054375026 782594693 /nfs/dbraw/zinc/59/46/93/782594693.db2.gz ULBXNOIUQVSWMN-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1NCC(N)=O ZINC001054463040 782594909 /nfs/dbraw/zinc/59/49/09/782594909.db2.gz LJFIZLHDSPULLY-GXSJLCMTSA-N 0 3 279.344 -1.116 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1NCC(N)=O ZINC001054384786 782594958 /nfs/dbraw/zinc/59/49/58/782594958.db2.gz CMUQZNXHUYOWAY-ZJUUUORDSA-N 0 3 265.317 -1.195 20 0 CAADHN C[C@H]1CN(C(=O)c2ccnn2C)C[C@H]1NCC(N)=O ZINC001054480762 782595025 /nfs/dbraw/zinc/59/50/25/782595025.db2.gz OFZYPSOOQKHRTD-DTWKUNHWSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NCC(N)=O ZINC001054461400 782595104 /nfs/dbraw/zinc/59/51/04/782595104.db2.gz OSKSFUUJFPFZND-JGVFFNPUSA-N 0 3 277.346 -2.047 20 0 CAADHN C[C@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1NCC(N)=O ZINC001054461402 782595210 /nfs/dbraw/zinc/59/52/10/782595210.db2.gz OSKSFUUJFPFZND-YUMQZZPRSA-N 0 3 277.346 -2.047 20 0 CAADHN COCC(=O)N1C[C@H](C)[C@H](NCC(=O)N2CCOCC2)C1 ZINC001054304147 782595250 /nfs/dbraw/zinc/59/52/50/782595250.db2.gz VPTZVZFREBHQRW-NWDGAFQWSA-N 0 3 299.371 -1.072 20 0 CAADHN C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1NCC(N)=O ZINC001054430064 782595338 /nfs/dbraw/zinc/59/53/38/782595338.db2.gz NDTMMFUYNZBYFY-IONNQARKSA-N 0 3 251.290 -1.055 20 0 CAADHN C[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NCC(N)=O ZINC001054368587 782595379 /nfs/dbraw/zinc/59/53/79/782595379.db2.gz YAKMICVEHWLCTK-YUMQZZPRSA-N 0 3 267.293 -2.405 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001054486621 782595487 /nfs/dbraw/zinc/59/54/87/782595487.db2.gz ASJOPVZRDBEFPP-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1NCC(N)=O ZINC001054361879 782595630 /nfs/dbraw/zinc/59/56/30/782595630.db2.gz WFZYPMCGXHTDLD-IONNQARKSA-N 0 3 279.300 -1.282 20 0 CAADHN C[C@H]1CN(C(=O)C2=COCCO2)C[C@@H]1NCC(N)=O ZINC001054357210 782595708 /nfs/dbraw/zinc/59/57/08/782595708.db2.gz OLBVQMNURHFPKB-IUCAKERBSA-N 0 3 269.301 -1.204 20 0 CAADHN C[C@H]1CN(C(=O)C2=COCCO2)C[C@H]1NCC(N)=O ZINC001054357209 782595910 /nfs/dbraw/zinc/59/59/10/782595910.db2.gz OLBVQMNURHFPKB-DTWKUNHWSA-N 0 3 269.301 -1.204 20 0 CAADHN C[C@H]1CN(C(=O)c2nccnc2N)C[C@H]1NCC(N)=O ZINC001054496427 782596119 /nfs/dbraw/zinc/59/61/19/782596119.db2.gz MYZULUQMEZTVLS-JGVFFNPUSA-N 0 3 278.316 -1.406 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCOCC2)C[C@H]1NCC(N)=O ZINC001054589806 782597982 /nfs/dbraw/zinc/59/79/82/782597982.db2.gz ZEJYFYPNAJGIJW-WDEREUQCSA-N 0 3 284.360 -1.760 20 0 CAADHN C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1NCC(N)=O ZINC001054601295 782597997 /nfs/dbraw/zinc/59/79/97/782597997.db2.gz NXUARVXFBJPRMZ-NXEZZACHSA-N 0 3 280.332 -1.410 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1NCC(N)=O ZINC001054430065 782596172 /nfs/dbraw/zinc/59/61/72/782596172.db2.gz NDTMMFUYNZBYFY-VXNVDRBHSA-N 0 3 251.290 -1.055 20 0 CAADHN C[C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1NCC(N)=O ZINC001054372220 782596226 /nfs/dbraw/zinc/59/62/26/782596226.db2.gz RJLNPPABHJXQBZ-WPRPVWTQSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1NCC(N)=O ZINC001054480765 782596235 /nfs/dbraw/zinc/59/62/35/782596235.db2.gz OFZYPSOOQKHRTD-RKDXNWHRSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001054499627 782596609 /nfs/dbraw/zinc/59/66/09/782596609.db2.gz QVZJIHZPJSAIJM-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1NCC(N)=O ZINC001054496431 782596863 /nfs/dbraw/zinc/59/68/63/782596863.db2.gz MYZULUQMEZTVLS-SFYZADRCSA-N 0 3 278.316 -1.406 20 0 CAADHN C[C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1NCC(N)=O ZINC001054515454 782597027 /nfs/dbraw/zinc/59/70/27/782597027.db2.gz MIBFYMSHPZADPM-WCBMZHEXSA-N 0 3 265.317 -1.126 20 0 CAADHN C[C@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1NCC(N)=O ZINC001054601296 782597219 /nfs/dbraw/zinc/59/72/19/782597219.db2.gz NXUARVXFBJPRMZ-UWVGGRQHSA-N 0 3 280.332 -1.410 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1NCC(N)=O ZINC001054515450 782597376 /nfs/dbraw/zinc/59/73/76/782597376.db2.gz MIBFYMSHPZADPM-SCZZXKLOSA-N 0 3 265.317 -1.126 20 0 CAADHN C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1NCC(N)=O ZINC001054593299 782597441 /nfs/dbraw/zinc/59/74/41/782597441.db2.gz FJOMJEDXYPDZKE-IONNQARKSA-N 0 3 280.332 -1.462 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1NCC(N)=O ZINC001054554044 782597466 /nfs/dbraw/zinc/59/74/66/782597466.db2.gz APDBVSYGELOIHZ-RKDXNWHRSA-N 0 3 265.317 -1.045 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@H](NCC(N)=O)[C@@H](C)C2)C1 ZINC001054600719 782597545 /nfs/dbraw/zinc/59/75/45/782597545.db2.gz KWSYJBULZLXMTK-KWQFWETISA-N 0 3 282.344 -1.614 20 0 CAADHN CC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001054300388 782592769 /nfs/dbraw/zinc/59/27/69/782592769.db2.gz CUOOJNIPIQBZFT-KOLCDFICSA-N 0 3 282.344 -1.599 20 0 CAADHN COCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N2CCOCC2)C1 ZINC001054304146 782593771 /nfs/dbraw/zinc/59/37/71/782593771.db2.gz VPTZVZFREBHQRW-NEPJUHHUSA-N 0 3 299.371 -1.072 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001054298886 782594261 /nfs/dbraw/zinc/59/42/61/782594261.db2.gz IZRHOCYHYNPMLR-VWYCJHECSA-N 0 3 294.355 -1.266 20 0 CAADHN Cc1nc(CN[C@H]2CN(C(=O)CC(N)=O)C[C@H]2C)n[nH]1 ZINC001054506765 782598037 /nfs/dbraw/zinc/59/80/37/782598037.db2.gz MZNUSXWCXNINIF-APPZFPTMSA-N 0 3 280.332 -1.075 20 0 CAADHN Cc1nc(CN[C@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)n[nH]1 ZINC001054506766 782598284 /nfs/dbraw/zinc/59/82/84/782598284.db2.gz MZNUSXWCXNINIF-CBAPKCEASA-N 0 3 280.332 -1.075 20 0 CAADHN C[C@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1NCC(N)=O ZINC001054593295 782598394 /nfs/dbraw/zinc/59/83/94/782598394.db2.gz FJOMJEDXYPDZKE-CBAPKCEASA-N 0 3 280.332 -1.462 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)[nH]1 ZINC001054632074 782598789 /nfs/dbraw/zinc/59/87/89/782598789.db2.gz BSFWUQFGXWAEKI-VXNVDRBHSA-N 0 3 280.332 -1.423 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1NCC(N)=O ZINC001054633419 782598876 /nfs/dbraw/zinc/59/88/76/782598876.db2.gz JSYCNZDURDSPIH-SFYZADRCSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1NCC(N)=O ZINC001054636428 782598941 /nfs/dbraw/zinc/59/89/41/782598941.db2.gz ONRZTRCKWQHDRN-HTQZYQBOSA-N 0 3 251.290 -1.055 20 0 CAADHN CCn1nncc1C(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001054636836 782598963 /nfs/dbraw/zinc/59/89/63/782598963.db2.gz UEGQPJOSRFLLJQ-BDAKNGLRSA-N 0 3 280.332 -1.167 20 0 CAADHN C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1NCC(N)=O ZINC001054633423 782599306 /nfs/dbraw/zinc/59/93/06/782599306.db2.gz JSYCNZDURDSPIH-YUMQZZPRSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@H]1CN(C(=O)Cc2cncnc2)C[C@@H]1NCC(N)=O ZINC001054619277 782599389 /nfs/dbraw/zinc/59/93/89/782599389.db2.gz DKTBJYAAVNSYIQ-ONGXEEELSA-N 0 3 277.328 -1.059 20 0 CAADHN C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCC(N)=O ZINC001054618223 782599474 /nfs/dbraw/zinc/59/94/74/782599474.db2.gz KDXBKERNPHHEBI-JGVFFNPUSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NCC(N)=O ZINC001054649055 782599841 /nfs/dbraw/zinc/59/98/41/782599841.db2.gz LSYJCMCDKGAUPF-SFYZADRCSA-N 0 3 267.293 -2.405 20 0 CAADHN C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1NCC(N)=O ZINC001054616172 782599892 /nfs/dbraw/zinc/59/98/92/782599892.db2.gz RTXYZHJTUQQDLM-YUMQZZPRSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1NCC(N)=O ZINC001054624770 782600109 /nfs/dbraw/zinc/60/01/09/782600109.db2.gz VUFISBLHTQHJTP-JGVFFNPUSA-N 0 3 282.300 -1.486 20 0 CAADHN CCn1nncc1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001054636841 782600115 /nfs/dbraw/zinc/60/01/15/782600115.db2.gz UEGQPJOSRFLLJQ-RKDXNWHRSA-N 0 3 280.332 -1.167 20 0 CAADHN C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NCC(N)=O ZINC001054649054 782600163 /nfs/dbraw/zinc/60/01/63/782600163.db2.gz LSYJCMCDKGAUPF-JGVFFNPUSA-N 0 3 267.293 -2.405 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1NCC(N)=O ZINC001054812200 782600848 /nfs/dbraw/zinc/60/08/48/782600848.db2.gz HSMPSBSQXVGNOJ-KOLCDFICSA-N 0 3 292.339 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1NCC(N)=O ZINC001054759911 782600968 /nfs/dbraw/zinc/60/09/68/782600968.db2.gz GSFJHDUJNHHQQZ-SFYZADRCSA-N 0 3 270.333 -1.580 20 0 CAADHN C[C@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1[NH2+]CC(N)=O ZINC001054776654 782601053 /nfs/dbraw/zinc/60/10/53/782601053.db2.gz ZXJQSIUNICFOHN-IONNQARKSA-N 0 3 279.300 -1.282 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@H]1NCC(N)=O ZINC001054736527 782601411 /nfs/dbraw/zinc/60/14/11/782601411.db2.gz KHWPZQUUTAKSIX-PSASIEDQSA-N 0 3 293.327 -1.189 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1NCC(N)=O ZINC001054781527 782601477 /nfs/dbraw/zinc/60/14/77/782601477.db2.gz ZHAMINMIQAPZCI-VXNVDRBHSA-N 0 3 279.300 -1.282 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H]1NCC(N)=O ZINC001054812201 782601487 /nfs/dbraw/zinc/60/14/87/782601487.db2.gz HSMPSBSQXVGNOJ-MWLCHTKSSA-N 0 3 292.339 -1.079 20 0 CAADHN C[C@H]1CN(C(=O)Cn2nccn2)C[C@@H]1NCC(N)=O ZINC001054697868 782601537 /nfs/dbraw/zinc/60/15/37/782601537.db2.gz QIIJSWHQTPOAFP-IUCAKERBSA-N 0 3 266.305 -1.800 20 0 CAADHN C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@H]1NCC(N)=O ZINC001054751114 782601581 /nfs/dbraw/zinc/60/15/81/782601581.db2.gz FUAHOKBNTQNYHX-WCBMZHEXSA-N 0 3 293.327 -1.684 20 0 CAADHN C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1NCC(N)=O ZINC001054759908 782601644 /nfs/dbraw/zinc/60/16/44/782601644.db2.gz GSFJHDUJNHHQQZ-JGVFFNPUSA-N 0 3 270.333 -1.580 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1[NH2+]CC(N)=O ZINC001054776651 782601689 /nfs/dbraw/zinc/60/16/89/782601689.db2.gz ZXJQSIUNICFOHN-APPZFPTMSA-N 0 3 279.300 -1.282 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@H]1NCC(N)=O ZINC001054746906 782601733 /nfs/dbraw/zinc/60/17/33/782601733.db2.gz GJQBXJVPUUPVIV-VHSXEESVSA-N 0 3 298.343 -2.233 20 0 CAADHN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1NCC(N)=O ZINC001054680441 782601892 /nfs/dbraw/zinc/60/18/92/782601892.db2.gz MOWXDRNPNFRRPX-CBAPKCEASA-N 0 3 289.357 -2.047 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1[NH2+]CC(N)=O ZINC001054776656 782601954 /nfs/dbraw/zinc/60/19/54/782601954.db2.gz ZXJQSIUNICFOHN-VXNVDRBHSA-N 0 3 279.300 -1.282 20 0 CAADHN C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1NCC(N)=O ZINC001054759914 782601984 /nfs/dbraw/zinc/60/19/84/782601984.db2.gz GSFJHDUJNHHQQZ-YUMQZZPRSA-N 0 3 270.333 -1.580 20 0 CAADHN COc1cc(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)nn1C ZINC001054889487 782602499 /nfs/dbraw/zinc/60/24/99/782602499.db2.gz ZHAKGLNKRKLDLZ-PSASIEDQSA-N 0 3 295.343 -1.036 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1NCC(N)=O ZINC001054823693 782603175 /nfs/dbraw/zinc/60/31/75/782603175.db2.gz PYFDNQLLEJORGV-RKDXNWHRSA-N 0 3 296.331 -2.496 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1NCCF ZINC001054823370 782603283 /nfs/dbraw/zinc/60/32/83/782603283.db2.gz LLAVPIRUOJEHIR-NXEZZACHSA-N 0 3 285.323 -1.012 20 0 CAADHN C[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1NCC(N)=O ZINC001054881981 782603398 /nfs/dbraw/zinc/60/33/98/782603398.db2.gz BYEZHIFZMYKCBQ-YUMQZZPRSA-N 0 3 294.311 -1.086 20 0 CAADHN C[C@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@@H]1NCC(N)=O ZINC001054884610 782603491 /nfs/dbraw/zinc/60/34/91/782603491.db2.gz FKDOASLWGBKGIC-ONGXEEELSA-N 0 3 292.339 -1.079 20 0 CAADHN C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1NCC(N)=O ZINC001054823691 782603538 /nfs/dbraw/zinc/60/35/38/782603538.db2.gz PYFDNQLLEJORGV-DTWKUNHWSA-N 0 3 296.331 -2.496 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1NCC(N)=O ZINC001054848328 782603572 /nfs/dbraw/zinc/60/35/72/782603572.db2.gz VWUYUZIBPARRFH-MWLCHTKSSA-N 0 3 292.339 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@@H]1NCC(N)=O ZINC001054881978 782603643 /nfs/dbraw/zinc/60/36/43/782603643.db2.gz BYEZHIFZMYKCBQ-SFYZADRCSA-N 0 3 294.311 -1.086 20 0 CAADHN C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1NCCF ZINC001054823372 782603761 /nfs/dbraw/zinc/60/37/61/782603761.db2.gz LLAVPIRUOJEHIR-VHSXEESVSA-N 0 3 285.323 -1.012 20 0 CAADHN CCn1cc(CC(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)nn1 ZINC001054926055 782603781 /nfs/dbraw/zinc/60/37/81/782603781.db2.gz ZHMWTASZEDUBNT-MWLCHTKSSA-N 0 3 294.359 -1.238 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1NCC(N)=O ZINC001054968707 782604426 /nfs/dbraw/zinc/60/44/26/782604426.db2.gz LGMUEGKQYMRNBG-ZJUUUORDSA-N 0 3 297.359 -2.660 20 0 CAADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1NCC(N)=O ZINC001054980382 782604518 /nfs/dbraw/zinc/60/45/18/782604518.db2.gz CRLGTQLSFKPNMG-RQJHMYQMSA-N 0 3 267.293 -2.255 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001055020019 782604911 /nfs/dbraw/zinc/60/49/11/782604911.db2.gz IMEAURBFANSVDT-DTWKUNHWSA-N 0 3 268.317 -1.860 20 0 CAADHN C[C@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H]1NCC(N)=O ZINC001055011954 782604954 /nfs/dbraw/zinc/60/49/54/782604954.db2.gz HINQLNBROAYCRF-ONGXEEELSA-N 0 3 295.343 -1.279 20 0 CAADHN C[C@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1NCC(N)=O ZINC001055011951 782604964 /nfs/dbraw/zinc/60/49/64/782604964.db2.gz HINQLNBROAYCRF-GXSJLCMTSA-N 0 3 295.343 -1.279 20 0 CAADHN C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NCC(N)=O ZINC001054980380 782605002 /nfs/dbraw/zinc/60/50/02/782605002.db2.gz CRLGTQLSFKPNMG-NKWVEPMBSA-N 0 3 267.293 -2.255 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)N1CCC1 ZINC001055020018 782605280 /nfs/dbraw/zinc/60/52/80/782605280.db2.gz IMEAURBFANSVDT-BDAKNGLRSA-N 0 3 268.317 -1.860 20 0 CAADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NCC(N)=O ZINC001054980381 782605293 /nfs/dbraw/zinc/60/52/93/782605293.db2.gz CRLGTQLSFKPNMG-RNFRBKRXSA-N 0 3 267.293 -2.255 20 0 CAADHN C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@@H]1NCC(N)=O ZINC001054980379 782605527 /nfs/dbraw/zinc/60/55/27/782605527.db2.gz CRLGTQLSFKPNMG-BQBZGAKWSA-N 0 3 267.293 -2.255 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)N1CCOCC1 ZINC001055022940 782606069 /nfs/dbraw/zinc/60/60/69/782606069.db2.gz IUAWYRFDPYHIER-UWVGGRQHSA-N 0 3 298.343 -2.233 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N1CCOCC1 ZINC001055022939 782606160 /nfs/dbraw/zinc/60/61/60/782606160.db2.gz IUAWYRFDPYHIER-NXEZZACHSA-N 0 3 298.343 -2.233 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N1CCCCC1 ZINC001055020726 782606230 /nfs/dbraw/zinc/60/62/30/782606230.db2.gz SUGBLTYWAXKXTI-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NCc1cncn1C ZINC001055020479 782606569 /nfs/dbraw/zinc/60/65/69/782606569.db2.gz PJBNKPOKRPSRIO-SCZZXKLOSA-N 0 3 265.317 -1.158 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N1CCCCC1 ZINC001055020729 782607405 /nfs/dbraw/zinc/60/74/05/782607405.db2.gz SUGBLTYWAXKXTI-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CCCN(C)CC(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001055413097 782609620 /nfs/dbraw/zinc/60/96/20/782609620.db2.gz GOHZHKDSXROASY-PHIMTYICSA-N 0 3 296.371 -1.270 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001055347962 782609755 /nfs/dbraw/zinc/60/97/55/782609755.db2.gz OQVSIKJGWPUGMA-PHIMTYICSA-N 0 3 296.371 -1.270 20 0 CAADHN CCS(=O)(=O)CCNC(=O)CNCCOC ZINC000226334400 782610886 /nfs/dbraw/zinc/61/08/86/782610886.db2.gz DQVUTPCJCBPGEY-UHFFFAOYSA-N 0 3 252.336 -1.227 20 0 CAADHN CCN(CC)CC(=O)NCCN(CCO)C(=O)COC ZINC001056787569 782636579 /nfs/dbraw/zinc/63/65/79/782636579.db2.gz KOVMWYFQDJBREY-UHFFFAOYSA-N 0 3 289.376 -1.088 20 0 CAADHN COCC(=O)N(CCO)CCNC(=O)CN(C)C(C)C ZINC001056791052 782638620 /nfs/dbraw/zinc/63/86/20/782638620.db2.gz JVQCJKJGVZBQKJ-UHFFFAOYSA-N 0 3 289.376 -1.090 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC[C@H]3CN(CCO)C[C@H]32)NC1=O ZINC001050113622 782656736 /nfs/dbraw/zinc/65/67/36/782656736.db2.gz UYRATPYGMUQUEO-SDDRHHMPSA-N 0 3 296.371 -1.075 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]2CN([C@@H]3CCCNC3=O)C[C@H]21 ZINC001050130876 782658115 /nfs/dbraw/zinc/65/81/15/782658115.db2.gz JOVAJXGUGAQTFC-HBNTYKKESA-N 0 3 294.355 -1.327 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]2CN([C@H]3CCCNC3=O)C[C@H]21 ZINC001050130875 782658172 /nfs/dbraw/zinc/65/81/72/782658172.db2.gz JOVAJXGUGAQTFC-GARJFASQSA-N 0 3 294.355 -1.327 20 0 CAADHN CN1CC[C@@H](N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)C1=O ZINC001050129773 782658905 /nfs/dbraw/zinc/65/89/05/782658905.db2.gz XYTVUSNRNSLKDP-HBNTYKKESA-N 0 3 294.355 -1.375 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001265758698 782659968 /nfs/dbraw/zinc/65/99/68/782659968.db2.gz IKSSTHCQTZXWNK-YUMQZZPRSA-N 0 3 258.322 -1.519 20 0 CAADHN CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)CC(N)=O)C2)CC1 ZINC001050469908 782663049 /nfs/dbraw/zinc/66/30/49/782663049.db2.gz VOSIPTCLWSTIEM-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050772490 782670203 /nfs/dbraw/zinc/67/02/03/782670203.db2.gz MYSOHDAKUAILJH-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CCN(CC)CC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057659087 782680098 /nfs/dbraw/zinc/68/00/98/782680098.db2.gz KFXCCGYIOPYHFU-UHFFFAOYSA-N 0 3 288.348 -2.249 20 0 CAADHN COCC(=O)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051374838 782694239 /nfs/dbraw/zinc/69/42/39/782694239.db2.gz FGRPPSRYDKDJSV-UWVGGRQHSA-N 0 3 271.317 -1.662 20 0 CAADHN COCC(=O)N1CCO[C@@H](CN[C@@H]2CCN(C)C2=O)C1 ZINC001051374420 782694376 /nfs/dbraw/zinc/69/43/76/782694376.db2.gz JITDGKXZHSUECG-WDEREUQCSA-N 0 3 285.344 -1.320 20 0 CAADHN COCC(=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051374839 782694389 /nfs/dbraw/zinc/69/43/89/782694389.db2.gz FGRPPSRYDKDJSV-VHSXEESVSA-N 0 3 271.317 -1.662 20 0 CAADHN COCC(=O)N1CCO[C@H](CN[C@@H]2CCCNC2=O)C1 ZINC001051374572 782694584 /nfs/dbraw/zinc/69/45/84/782694584.db2.gz AVFDVZIWEKKVRG-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN O=C(C(F)F)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051380673 782695377 /nfs/dbraw/zinc/69/53/77/782695377.db2.gz MBXBEYYQVNBGDZ-SFYZADRCSA-N 0 3 277.271 -1.043 20 0 CAADHN O=C(c1ccon1)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051461232 782696289 /nfs/dbraw/zinc/69/62/89/782696289.db2.gz NTNKDJKAHPUBFW-UWVGGRQHSA-N 0 3 294.311 -1.006 20 0 CAADHN O=C(c1cn[nH]c1)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051462687 782697423 /nfs/dbraw/zinc/69/74/23/782697423.db2.gz JNLVUVIKKPQDKF-MNOVXSKESA-N 0 3 293.327 -1.271 20 0 CAADHN NC(=O)CC(=O)N1CCO[C@H](CN[C@@H]2CCCNC2=O)C1 ZINC001051504594 782698428 /nfs/dbraw/zinc/69/84/28/782698428.db2.gz IKBUNYXNAXFGGF-NXEZZACHSA-N 0 3 298.343 -2.043 20 0 CAADHN NC(=O)CC(=O)N1CCO[C@@H](CN[C@H]2CCCNC2=O)C1 ZINC001051504595 782699063 /nfs/dbraw/zinc/69/90/63/782699063.db2.gz IKBUNYXNAXFGGF-UWVGGRQHSA-N 0 3 298.343 -2.043 20 0 CAADHN NC(=O)CC(=O)N1CCO[C@H](CN[C@H]2CCCNC2=O)C1 ZINC001051504597 782699104 /nfs/dbraw/zinc/69/91/04/782699104.db2.gz IKBUNYXNAXFGGF-ZJUUUORDSA-N 0 3 298.343 -2.043 20 0 CAADHN NC(=O)CC(=O)N1CCO[C@@H](CN[C@@H]2CCCNC2=O)C1 ZINC001051504596 782699278 /nfs/dbraw/zinc/69/92/78/782699278.db2.gz IKBUNYXNAXFGGF-VHSXEESVSA-N 0 3 298.343 -2.043 20 0 CAADHN CC(C)(O)CC(=O)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051582026 782701183 /nfs/dbraw/zinc/70/11/83/782701183.db2.gz UOZNCZTXRMWRAT-MNOVXSKESA-N 0 3 299.371 -1.147 20 0 CAADHN O=C(c1ncc[nH]1)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051603491 782701199 /nfs/dbraw/zinc/70/11/99/782701199.db2.gz YYJLOLBPBWUARS-NXEZZACHSA-N 0 3 293.327 -1.271 20 0 CAADHN NC(=O)C(=O)N1CCO[C@H](CN[C@@H]2CCC(=O)NC2=O)C1 ZINC001051794317 782704561 /nfs/dbraw/zinc/70/45/61/782704561.db2.gz KEIYBVFHVPIFJB-HTQZYQBOSA-N 0 3 298.299 -2.906 20 0 CAADHN CCN1CC[C@H](NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051794804 782705938 /nfs/dbraw/zinc/70/59/38/782705938.db2.gz SPIOHNOLFGNZLQ-UWVGGRQHSA-N 0 3 298.343 -2.091 20 0 CAADHN CN1CCC[C@H](NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051794452 782705949 /nfs/dbraw/zinc/70/59/49/782705949.db2.gz NMTGVTKZWJWCLE-ZJUUUORDSA-N 0 3 298.343 -2.091 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H](CNCc2cccnc2)C1 ZINC001051795461 782706889 /nfs/dbraw/zinc/70/68/89/782706889.db2.gz HHFOSTQWUQCYLL-NSHDSACASA-N 0 3 278.312 -1.116 20 0 CAADHN O=C(c1nc[nH]n1)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051872918 782708802 /nfs/dbraw/zinc/70/88/02/782708802.db2.gz PNGYCKYIFDMTTP-BDAKNGLRSA-N 0 3 294.315 -1.876 20 0 CAADHN O=C(c1nc[n-]n1)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001051872918 782708807 /nfs/dbraw/zinc/70/88/07/782708807.db2.gz PNGYCKYIFDMTTP-BDAKNGLRSA-N 0 3 294.315 -1.876 20 0 CAADHN O=C(c1cnon1)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051876028 782708817 /nfs/dbraw/zinc/70/88/17/782708817.db2.gz HALQYOHJDJEHAP-BDAKNGLRSA-N 0 3 295.299 -1.611 20 0 CAADHN NC(=O)CN1CCC[C@@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052521051 782714947 /nfs/dbraw/zinc/71/49/47/782714947.db2.gz PXCMMJVPMKNTKO-MRVPVSSYSA-N 0 3 266.305 -1.126 20 0 CAADHN NC(=O)CN1CCC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052521052 782716332 /nfs/dbraw/zinc/71/63/32/782716332.db2.gz PXCMMJVPMKNTKO-QMMMGPOBSA-N 0 3 266.305 -1.126 20 0 CAADHN CCCN(C)CC(=O)N(CCO)CCNC(=O)COC ZINC001058254152 782725212 /nfs/dbraw/zinc/72/52/12/782725212.db2.gz WTKVHGPVDCSMIR-UHFFFAOYSA-N 0 3 289.376 -1.088 20 0 CAADHN COCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070120541 782746794 /nfs/dbraw/zinc/74/67/94/782746794.db2.gz VFVUNOGKIOQAFU-ZJUUUORDSA-N 0 3 269.305 -1.742 20 0 CAADHN NC(=O)CC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070161138 782747378 /nfs/dbraw/zinc/74/73/78/782747378.db2.gz WSCOWXHTOSHGAV-BDAKNGLRSA-N 0 3 282.304 -2.513 20 0 CAADHN O=C([C@@H]1CCOC1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070159773 782747629 /nfs/dbraw/zinc/74/76/29/782747629.db2.gz QZBBSOBXHDARNG-UTUOFQBUSA-N 0 3 295.343 -1.352 20 0 CAADHN O=C([C@H]1CCOC1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070159772 782748303 /nfs/dbraw/zinc/74/83/03/782748303.db2.gz QZBBSOBXHDARNG-TUAOUCFPSA-N 0 3 295.343 -1.352 20 0 CAADHN NC(=O)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070264433 782748737 /nfs/dbraw/zinc/74/87/37/782748737.db2.gz NFXAVZQYXADKOG-SFYZADRCSA-N 0 3 268.277 -2.903 20 0 CAADHN C[C@@H](O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001070529416 782751451 /nfs/dbraw/zinc/75/14/51/782751451.db2.gz NHAODVUBHWXDKE-WCABBAIRSA-N 0 3 295.343 -1.830 20 0 CAADHN C[C@@H](O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001070685506 782752820 /nfs/dbraw/zinc/75/28/20/782752820.db2.gz FQNWEPGIWJBAKQ-OPRDCNLKSA-N 0 3 295.343 -1.830 20 0 CAADHN CC(C)N(C)CC(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC001070865242 782755982 /nfs/dbraw/zinc/75/59/82/782755982.db2.gz NTZXMSUKWYNSCB-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001071221431 782761143 /nfs/dbraw/zinc/76/11/43/782761143.db2.gz ZVPHQYPRDXXUCT-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)C[C@]2(CCN(CCCO)C2)O1 ZINC001071150065 782759411 /nfs/dbraw/zinc/75/94/11/782759411.db2.gz WULHUGWOIHFAHQ-SMDDNHRTSA-N 0 3 299.371 -1.064 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CCN(CCCO)C2)O1 ZINC001071203612 782759459 /nfs/dbraw/zinc/75/94/59/782759459.db2.gz FCXOHNAHECHISL-MFKMUULPSA-N 0 3 285.344 -1.454 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CCN(CCCO)C2)O1 ZINC001071203613 782759671 /nfs/dbraw/zinc/75/96/71/782759671.db2.gz FCXOHNAHECHISL-ZWNOBZJWSA-N 0 3 285.344 -1.454 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@]2(CCN(CCO)C2)O1 ZINC001071207390 782759705 /nfs/dbraw/zinc/75/97/05/782759705.db2.gz YSYMSURYIXSPNX-BXKDBHETSA-N 0 3 271.317 -1.844 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@]2(CCN(CCO)C2)O1 ZINC001071207396 782759728 /nfs/dbraw/zinc/75/97/28/782759728.db2.gz YSYMSURYIXSPNX-SKDRFNHKSA-N 0 3 271.317 -1.844 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)CN2CN=NC2=O)CN1CCO ZINC001071444798 782761902 /nfs/dbraw/zinc/76/19/02/782761902.db2.gz RPGSJOMKQFODMC-ZJUUUORDSA-N 0 3 283.332 -1.055 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)CN2CN=NC2=O)CN1CCO ZINC001071444796 782762021 /nfs/dbraw/zinc/76/20/21/782762021.db2.gz RPGSJOMKQFODMC-UWVGGRQHSA-N 0 3 283.332 -1.055 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)CN2CN=NC2=O)CN1CCO ZINC001071444795 782762603 /nfs/dbraw/zinc/76/26/03/782762603.db2.gz RPGSJOMKQFODMC-NXEZZACHSA-N 0 3 283.332 -1.055 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)Cn2ncnn2)CN1CCO ZINC001071514911 782763596 /nfs/dbraw/zinc/76/35/96/782763596.db2.gz PHDZZGFXQMYQRL-NXEZZACHSA-N 0 3 268.321 -1.366 20 0 CAADHN O=C(NC[C@H]1CN2CCN1CCC2)c1nnc[nH]1 ZINC000394811653 782766207 /nfs/dbraw/zinc/76/62/07/782766207.db2.gz SREUXTFKGKYORW-VIFPVBQESA-N 0 3 250.306 -1.076 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)CN1CCO ZINC001071739598 782767715 /nfs/dbraw/zinc/76/77/15/782767715.db2.gz VXJQVJADJFLFNT-VXGBXAGGSA-N 0 3 298.387 -1.620 20 0 CAADHN CCN(CC)CC(=O)N1C[C@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001072151327 782774048 /nfs/dbraw/zinc/77/40/48/782774048.db2.gz AJTHXRXFQKDVHN-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H]1CCN(C(=O)C(N)=O)C[C@H]1CNCc1cn(C)nn1 ZINC001072353353 782774370 /nfs/dbraw/zinc/77/43/70/782774370.db2.gz SVAWJYNVPPFHHX-NXEZZACHSA-N 0 3 294.359 -1.125 20 0 CAADHN CCCN(C)CC(=O)N1C[C@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC001072482072 782777354 /nfs/dbraw/zinc/77/73/54/782777354.db2.gz YZCCRKDQBJACRO-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCN(CC)CC(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001072638317 782778758 /nfs/dbraw/zinc/77/87/58/782778758.db2.gz JCOHUZRPMSUCBP-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001072638085 782778802 /nfs/dbraw/zinc/77/88/02/782778802.db2.gz GBQVMHBHEBLBJL-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001072641038 782779589 /nfs/dbraw/zinc/77/95/89/782779589.db2.gz JVDZGRNBTTUAFU-VHSXEESVSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072638190 782780004 /nfs/dbraw/zinc/78/00/04/782780004.db2.gz HOHYBSNIBSEING-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN NC(=O)C(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001072936206 782786204 /nfs/dbraw/zinc/78/62/04/782786204.db2.gz VAPMHXWPMZUSDC-UHFFFAOYSA-N 0 3 295.343 -1.969 20 0 CAADHN C[C@@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)Cc3nnc[n-]3)C2)C1 ZINC001073113577 782787530 /nfs/dbraw/zinc/78/75/30/782787530.db2.gz QYFZPJVEUYYGKF-VIFPVBQESA-N 0 3 292.343 -1.245 20 0 CAADHN C[C@@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)Cc3nnc[n-]3)C2)C1 ZINC001073113577 782787534 /nfs/dbraw/zinc/78/75/34/782787534.db2.gz QYFZPJVEUYYGKF-VIFPVBQESA-N 0 3 292.343 -1.245 20 0 CAADHN C[C@H](C(N)=O)[N@@H+]1CCC2(CN(C(=O)Cc3nnc[n-]3)C2)C1 ZINC001073113576 782788075 /nfs/dbraw/zinc/78/80/75/782788075.db2.gz QYFZPJVEUYYGKF-SECBINFHSA-N 0 3 292.343 -1.245 20 0 CAADHN C[C@H](C(N)=O)[N@H+]1CCC2(CN(C(=O)Cc3nnc[n-]3)C2)C1 ZINC001073113576 782788080 /nfs/dbraw/zinc/78/80/80/782788080.db2.gz QYFZPJVEUYYGKF-SECBINFHSA-N 0 3 292.343 -1.245 20 0 CAADHN NC(=O)CN1CCC2(CN(C(=O)CCc3cnn[nH]3)C2)C1 ZINC001072996231 782789189 /nfs/dbraw/zinc/78/91/89/782789189.db2.gz VHGZFGOPJOFRFJ-UHFFFAOYSA-N 0 3 292.343 -1.243 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1CCC(=O)N1 ZINC001073554611 782791800 /nfs/dbraw/zinc/79/18/00/782791800.db2.gz KCBPIANVULRNHS-GHMZBOCLSA-N 0 3 285.344 -1.536 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1CNC(=O)N1 ZINC001073752488 782798409 /nfs/dbraw/zinc/79/84/09/782798409.db2.gz YIJLEQPEHLQUBA-NXEZZACHSA-N 0 3 286.332 -2.133 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1CNC(=O)N1 ZINC001073752490 782798532 /nfs/dbraw/zinc/79/85/32/782798532.db2.gz YIJLEQPEHLQUBA-VHSXEESVSA-N 0 3 286.332 -2.133 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)c1ccc(=O)[nH]n1 ZINC001073526902 782792994 /nfs/dbraw/zinc/79/29/94/782792994.db2.gz NTOBAZJWCDXUFR-SNVBAGLBSA-N 0 3 296.327 -1.005 20 0 CAADHN O=C(NC[C@H]1CN(CCCO)CCCO1)[C@H]1CCC(=O)N1 ZINC001073555121 782793224 /nfs/dbraw/zinc/79/32/24/782793224.db2.gz WLYDKNIAUTZOPH-NWDGAFQWSA-N 0 3 299.371 -1.146 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)CC1=O ZINC001073630136 782793679 /nfs/dbraw/zinc/79/36/79/782793679.db2.gz NXNMUJZMSGWEIY-NWDGAFQWSA-N 0 3 299.371 -1.336 20 0 CAADHN Cn1oc(C(=O)NC[C@@H]2CN(CCO)CCCO2)cc1=O ZINC001073585334 782793927 /nfs/dbraw/zinc/79/39/27/782793927.db2.gz GABSEKMHEAQBDJ-SNVBAGLBSA-N 0 3 299.327 -1.209 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1CCNC(=O)C1 ZINC001073571630 782794057 /nfs/dbraw/zinc/79/40/57/782794057.db2.gz GFQPKQYIVVZVQM-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1CCNC(=O)C1 ZINC001073571631 782794394 /nfs/dbraw/zinc/79/43/94/782794394.db2.gz GFQPKQYIVVZVQM-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN Cn1oc(C(=O)NC[C@H]2CN(CCO)CCCO2)cc1=O ZINC001073585333 782794564 /nfs/dbraw/zinc/79/45/64/782794564.db2.gz GABSEKMHEAQBDJ-JTQLQIEISA-N 0 3 299.327 -1.209 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@H]2CN(CCO)CCCO2)CC1=O ZINC001073630137 782794583 /nfs/dbraw/zinc/79/45/83/782794583.db2.gz NXNMUJZMSGWEIY-RYUDHWBXSA-N 0 3 299.371 -1.336 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)c1cn[nH]c(=O)c1 ZINC001073649169 782796305 /nfs/dbraw/zinc/79/63/05/782796305.db2.gz NTPLMVDNMFBKEG-LLVKDONJSA-N 0 3 296.327 -1.005 20 0 CAADHN Cn1c(=O)[nH]cc1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073729740 782796382 /nfs/dbraw/zinc/79/63/82/782796382.db2.gz VHHZWDBUPOZUQD-JTQLQIEISA-N 0 3 298.343 -1.061 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1CCNC1=O ZINC001073729763 782796395 /nfs/dbraw/zinc/79/63/95/782796395.db2.gz WHPVAHCDSXCONW-MNOVXSKESA-N 0 3 285.344 -1.678 20 0 CAADHN Cn1c(=O)[nH]cc1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073729741 782796411 /nfs/dbraw/zinc/79/64/11/782796411.db2.gz VHHZWDBUPOZUQD-SNVBAGLBSA-N 0 3 298.343 -1.061 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@@H]1CCCNC1=O ZINC001073649520 782796459 /nfs/dbraw/zinc/79/64/59/782796459.db2.gz XKIVXTZHFLNENR-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@@H]1C[N@H+](CCO)CCCO1 ZINC001073722813 782796720 /nfs/dbraw/zinc/79/67/20/782796720.db2.gz SGYZLONRHUOKGV-SNVBAGLBSA-N 0 3 283.332 -1.074 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@@H]1C[N@@H+](CCO)CCCO1 ZINC001073722813 782796727 /nfs/dbraw/zinc/79/67/27/782796727.db2.gz SGYZLONRHUOKGV-SNVBAGLBSA-N 0 3 283.332 -1.074 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@H]2CN(CCO)CCCO2)C1=O ZINC001073732823 782797474 /nfs/dbraw/zinc/79/74/74/782797474.db2.gz YKROXKMJGPVBTR-NWDGAFQWSA-N 0 3 299.371 -1.336 20 0 CAADHN C[C@H](O)CN1CCCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001073733699 782798992 /nfs/dbraw/zinc/79/89/92/782798992.db2.gz IBDRTNZGRMNOEG-VHSXEESVSA-N 0 3 298.347 -1.588 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073732118 782799046 /nfs/dbraw/zinc/79/90/46/782799046.db2.gz HIXKGIOIWRFRAF-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN Cn1nnc(C(=O)NC[C@H]2CN(CCCO)CCCO2)n1 ZINC001073734284 782799083 /nfs/dbraw/zinc/79/90/83/782799083.db2.gz RHQNIBAPAPNENR-JTQLQIEISA-N 0 3 298.347 -1.587 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1CCC(=O)N1 ZINC001073863246 782801037 /nfs/dbraw/zinc/80/10/37/782801037.db2.gz KCBPIANVULRNHS-MNOVXSKESA-N 0 3 285.344 -1.536 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C)C(N)=O ZINC001074521741 782807683 /nfs/dbraw/zinc/80/76/83/782807683.db2.gz BBDIOSJKPNRBHR-VGMNWLOBSA-N 0 3 281.320 -1.874 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1COCCO1 ZINC001074542640 782807812 /nfs/dbraw/zinc/80/78/12/782807812.db2.gz BNFVEOMJIPMCBK-GUBZILKMSA-N 0 3 271.317 -1.534 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CN2CN=NC2=O)[C@H]1C)C(N)=O ZINC001074614857 782808343 /nfs/dbraw/zinc/80/83/43/782808343.db2.gz LWCDDIYOYVHFIN-VGMNWLOBSA-N 0 3 296.331 -1.564 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C)C(N)=O ZINC001074633554 782808374 /nfs/dbraw/zinc/80/83/74/782808374.db2.gz PNHUEAOLBRKDNQ-CIUDSAMLSA-N 0 3 280.332 -1.119 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCC(=O)NC2=O)CCN1C(=O)C(N)=O ZINC001074846306 782813635 /nfs/dbraw/zinc/81/36/35/782813635.db2.gz WJEUXURXRLUPFN-BIIVOSGPSA-N 0 3 282.300 -2.144 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C)C(N)=O ZINC001074573919 782808719 /nfs/dbraw/zinc/80/87/19/782808719.db2.gz WUTSKICKYZBGHU-FXQIFTODSA-N 0 3 256.306 -1.685 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1C)C(N)=O ZINC001074611018 782808854 /nfs/dbraw/zinc/80/88/54/782808854.db2.gz JQNDIYBKXBPLTA-SRVKXCTJSA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@@H](C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C)n1cncn1 ZINC001074614025 782808946 /nfs/dbraw/zinc/80/89/46/782808946.db2.gz VRFJLHMDXMQSFE-GUBZILKMSA-N 0 3 280.332 -1.097 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C)C(N)=O ZINC001074637458 782809010 /nfs/dbraw/zinc/80/90/10/782809010.db2.gz YAMKQOZFZQMDFN-CIUDSAMLSA-N 0 3 280.332 -1.119 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C)C(N)=O ZINC001074638841 782809044 /nfs/dbraw/zinc/80/90/44/782809044.db2.gz OGQGQBGCHAGNCO-VGMNWLOBSA-N 0 3 280.332 -1.119 20 0 CAADHN C[C@H](C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C)n1cncn1 ZINC001074614024 782809071 /nfs/dbraw/zinc/80/90/71/782809071.db2.gz VRFJLHMDXMQSFE-AEJSXWLSSA-N 0 3 280.332 -1.097 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C)C(N)=O ZINC001074638840 782809097 /nfs/dbraw/zinc/80/90/97/782809097.db2.gz OGQGQBGCHAGNCO-CIUDSAMLSA-N 0 3 280.332 -1.119 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)CC(N)=O ZINC001074575083 782809222 /nfs/dbraw/zinc/80/92/22/782809222.db2.gz VHXNYXNNMOLDEP-CIUDSAMLSA-N 0 3 268.317 -1.671 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CN2CN=NC2=O)[C@H]1C)C(N)=O ZINC001074614856 782809328 /nfs/dbraw/zinc/80/93/28/782809328.db2.gz LWCDDIYOYVHFIN-CIUDSAMLSA-N 0 3 296.331 -1.564 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)c1ncn(C)n1 ZINC001074640634 782809342 /nfs/dbraw/zinc/80/93/42/782809342.db2.gz DEDBQSNHYAUDKN-LPEHRKFASA-N 0 3 292.343 -1.104 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)Cn1ncnn1 ZINC001074654520 782809381 /nfs/dbraw/zinc/80/93/81/782809381.db2.gz VQYLNABBTJMLNR-GUBZILKMSA-N 0 3 293.331 -1.859 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CO[C@@H]1CCOC1 ZINC001074650594 782809413 /nfs/dbraw/zinc/80/94/13/782809413.db2.gz NJAKNDMUSMEFGX-AXFHLTTASA-N 0 3 285.344 -1.144 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@@H]1CCNC1=O ZINC001074682893 782810303 /nfs/dbraw/zinc/81/03/03/782810303.db2.gz MZRYZOUHCBGOAX-GUBZILKMSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@H]1CCN(C)C1=O ZINC001074701355 782810603 /nfs/dbraw/zinc/81/06/03/782810603.db2.gz HVRZVHNXYOFFIC-AXFHLTTASA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001074690341 782810656 /nfs/dbraw/zinc/81/06/56/782810656.db2.gz TZMAYIRAZNJUMJ-FXQIFTODSA-N 0 3 297.315 -2.351 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001074676666 782810726 /nfs/dbraw/zinc/81/07/26/782810726.db2.gz XFFSSQAFWNSEKA-AEJSXWLSSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CCCNC1=O ZINC001074697453 782810748 /nfs/dbraw/zinc/81/07/48/782810748.db2.gz MQTYWLCEFBCSFO-GUBZILKMSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CCNC1=O ZINC001074794711 782811565 /nfs/dbraw/zinc/81/15/65/782811565.db2.gz OEOFLWIJAMNEKN-YIZRAAEISA-N 0 3 268.317 -1.813 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001074798293 782811819 /nfs/dbraw/zinc/81/18/19/782811819.db2.gz GQCHMXPODACFNN-XHNCKOQMSA-N 0 3 283.332 -1.926 20 0 CAADHN C[C@@H](C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C)S(C)(=O)=O ZINC001074711758 782811832 /nfs/dbraw/zinc/81/18/32/782811832.db2.gz JZHGQMDCBYXJLA-CIUDSAMLSA-N 0 3 291.373 -1.516 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CCNC(=O)CC1 ZINC001074771376 782811901 /nfs/dbraw/zinc/81/19/01/782811901.db2.gz JABLNIHYNHTZNR-DCAQKATOSA-N 0 3 296.371 -1.033 20 0 CAADHN CCN1CC[C@H](N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)C1=O ZINC001074846099 782812931 /nfs/dbraw/zinc/81/29/31/782812931.db2.gz PADWYOSZRAFUEG-GUBZILKMSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCCN(C)C2=O)CCN1C(=O)C(N)=O ZINC001074846292 782812987 /nfs/dbraw/zinc/81/29/87/782812987.db2.gz VOVUPMSGQRFQTD-GUBZILKMSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CCN(C)C1=O ZINC001074815073 782813055 /nfs/dbraw/zinc/81/30/55/782813055.db2.gz WLFRINJTYUOXDU-GUBZILKMSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)c1nnn(C)n1 ZINC001074806741 782813227 /nfs/dbraw/zinc/81/32/27/782813227.db2.gz OXPIFGDZIRFGFJ-XHNCKOQMSA-N 0 3 293.331 -1.709 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C)C(N)=O ZINC001074806704 782813786 /nfs/dbraw/zinc/81/37/86/782813786.db2.gz MBTYSFQLSRDFTB-CSMHCCOUSA-N 0 3 281.320 -1.724 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@H]1CN([C@H]1CCCNC1=O)C2 ZINC001099007167 782820085 /nfs/dbraw/zinc/82/00/85/782820085.db2.gz ZJEXGGWXXSGELW-BHDSKKPTSA-N 0 3 294.355 -1.279 20 0 CAADHN C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)c1nc[n-]n1 ZINC001074976399 782814271 /nfs/dbraw/zinc/81/42/71/782814271.db2.gz QMCPABZBLQTTEZ-XHNCKOQMSA-N 0 3 278.316 -1.114 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001075053942 782814517 /nfs/dbraw/zinc/81/45/17/782814517.db2.gz YOUWHDNBTLBEDR-MMWGEVLESA-N 0 3 294.355 -1.268 20 0 CAADHN C[C@H]([NH2+][C@H]1CCN(C(=O)c2nc[n-]n2)[C@H]1C)C(N)=O ZINC001074976307 782814584 /nfs/dbraw/zinc/81/45/84/782814584.db2.gz ASRXGOIOWPNCLS-FXQIFTODSA-N 0 3 266.305 -1.129 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001075074474 782814625 /nfs/dbraw/zinc/81/46/25/782814625.db2.gz WMKDHFDPLBVNLW-DLOVCJGASA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)Cn1cncn1 ZINC001075091896 782815174 /nfs/dbraw/zinc/81/51/74/782815174.db2.gz DTMGOMFHVXPQQL-GARJFASQSA-N 0 3 292.343 -1.254 20 0 CAADHN C[C@@H]([NH2+][C@H]1CCN(C(=O)c2nc[n-]n2)[C@H]1C)C(N)=O ZINC001074976306 782815333 /nfs/dbraw/zinc/81/53/33/782815333.db2.gz ASRXGOIOWPNCLS-CSMHCCOUSA-N 0 3 266.305 -1.129 20 0 CAADHN CN1CC[C@H](N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)C1=O ZINC001099008295 782820259 /nfs/dbraw/zinc/82/02/59/782820259.db2.gz HIUATMFZPYIGEQ-BHDSKKPTSA-N 0 3 294.355 -1.327 20 0 CAADHN C[C@@H](C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C)N1CCOCC1 ZINC001075154538 782815785 /nfs/dbraw/zinc/81/57/85/782815785.db2.gz FCTXZXCCYDCCKZ-SRVKXCTJSA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@H]1CC(=O)NC1=O ZINC001075154713 782815974 /nfs/dbraw/zinc/81/59/74/782815974.db2.gz KSVYQSOTOFMODA-YIZRAAEISA-N 0 3 296.327 -1.897 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001098527392 782817190 /nfs/dbraw/zinc/81/71/90/782817190.db2.gz AHFTWHWJSHYWBF-ZDCRXTMVSA-N 0 3 295.339 -1.247 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001098527389 782818043 /nfs/dbraw/zinc/81/80/43/782818043.db2.gz AHFTWHWJSHYWBF-DBIOUOCHSA-N 0 3 295.339 -1.247 20 0 CAADHN C[C@H](O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001099300613 782819056 /nfs/dbraw/zinc/81/90/56/782819056.db2.gz OYOQNHDTCBWAGE-RRKCRQDMSA-N 0 3 283.250 -1.169 20 0 CAADHN CN1CC[C@@H](N2C[C@@H]3CCC[C@]3(NC(=O)C(N)=O)C2)C1=O ZINC001099008296 782819461 /nfs/dbraw/zinc/81/94/61/782819461.db2.gz HIUATMFZPYIGEQ-RBZYPMLTSA-N 0 3 294.355 -1.327 20 0 CAADHN C[C@@H](O)CN1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001099009269 782819812 /nfs/dbraw/zinc/81/98/12/782819812.db2.gz YCHBGDAZMSBDQN-PTRXPTGYSA-N 0 3 255.318 -1.177 20 0 CAADHN COCCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099608257 782821600 /nfs/dbraw/zinc/82/16/00/782821600.db2.gz ZCRICHPUXREUNS-WDEREUQCSA-N 0 3 260.334 -1.043 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099651037 782825290 /nfs/dbraw/zinc/82/52/90/782825290.db2.gz OJECXDBBWRXKAL-RKDXNWHRSA-N 0 3 274.321 -2.148 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678376 782827934 /nfs/dbraw/zinc/82/79/34/782827934.db2.gz JURLXWLVHUBAMW-NWDGAFQWSA-N 0 3 297.359 -1.134 20 0 CAADHN NC(=O)NCC(=O)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001099665468 782827992 /nfs/dbraw/zinc/82/79/92/782827992.db2.gz HTYVKVGFBYZMIT-DTWKUNHWSA-N 0 3 276.312 -1.434 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099678378 782828055 /nfs/dbraw/zinc/82/80/55/782828055.db2.gz JURLXWLVHUBAMW-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001099691059 782828072 /nfs/dbraw/zinc/82/80/72/782828072.db2.gz ZCZDAAHRAJIFRF-NEPJUHHUSA-N 0 3 287.360 -1.338 20 0 CAADHN O=C(CCn1cncn1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099677729 782828312 /nfs/dbraw/zinc/82/83/12/782828312.db2.gz AIUGEZQSMDAHKM-NWDGAFQWSA-N 0 3 297.359 -1.398 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099704529 782829197 /nfs/dbraw/zinc/82/91/97/782829197.db2.gz MKLAONWNGILDHL-ZJUUUORDSA-N 0 3 289.332 -1.460 20 0 CAADHN COC(=O)NCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099707673 782829413 /nfs/dbraw/zinc/82/94/13/782829413.db2.gz VVSHWOMXVRKTFZ-VHSXEESVSA-N 0 3 289.332 -1.724 20 0 CAADHN NC(=O)CC(=O)N[C@H]1CCN(CCOC2CCC2)C[C@@H]1O ZINC001099758316 782833807 /nfs/dbraw/zinc/83/38/07/782833807.db2.gz RAJAIECSZMXUOT-RYUDHWBXSA-N 0 3 299.371 -1.018 20 0 CAADHN COCCN1CC[C@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099704527 782830597 /nfs/dbraw/zinc/83/05/97/782830597.db2.gz MKLAONWNGILDHL-UWVGGRQHSA-N 0 3 289.332 -1.460 20 0 CAADHN COCCOCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099747488 782831086 /nfs/dbraw/zinc/83/10/86/782831086.db2.gz YZWKOXFYCOCXTJ-RYUDHWBXSA-N 0 3 290.360 -1.417 20 0 CAADHN NC(=O)CC(=O)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001099758120 782831998 /nfs/dbraw/zinc/83/19/98/782831998.db2.gz OPEYKRDERBNNRJ-IUCAKERBSA-N 0 3 261.297 -1.227 20 0 CAADHN COCCOCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099747490 782832535 /nfs/dbraw/zinc/83/25/35/782832535.db2.gz YZWKOXFYCOCXTJ-VXGBXAGGSA-N 0 3 290.360 -1.417 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001099758118 782833292 /nfs/dbraw/zinc/83/32/92/782833292.db2.gz OPEYKRDERBNNRJ-BDAKNGLRSA-N 0 3 261.297 -1.227 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CCN(CCOC2CCC2)C[C@@H]1O ZINC001099758314 782833611 /nfs/dbraw/zinc/83/36/11/782833611.db2.gz RAJAIECSZMXUOT-NEPJUHHUSA-N 0 3 299.371 -1.018 20 0 CAADHN NC(=O)CC(=O)N[C@H]1CCN(CCOC2CCC2)C[C@H]1O ZINC001099758315 782834384 /nfs/dbraw/zinc/83/43/84/782834384.db2.gz RAJAIECSZMXUOT-NWDGAFQWSA-N 0 3 299.371 -1.018 20 0 CAADHN CC(C)OCCN1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760830 782836218 /nfs/dbraw/zinc/83/62/18/782836218.db2.gz OTAIAMOFLZIORJ-MNOVXSKESA-N 0 3 287.360 -1.162 20 0 CAADHN O=C(CCn1ccnn1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099802591 782836883 /nfs/dbraw/zinc/83/68/83/782836883.db2.gz YFLSUCYKPALLOG-VXGBXAGGSA-N 0 3 297.359 -1.398 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1CCN(CCOC)C[C@@H]1O ZINC001099796801 782837098 /nfs/dbraw/zinc/83/70/98/782837098.db2.gz JDXKYYXJYYXXDC-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(CCc1ncc[nH]1)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001099810231 782837249 /nfs/dbraw/zinc/83/72/49/782837249.db2.gz PWFOYXMPBLFJKO-GHMZBOCLSA-N 0 3 282.344 -1.114 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099799836 782837311 /nfs/dbraw/zinc/83/73/11/782837311.db2.gz STGLKVATXOKCMK-RYUDHWBXSA-N 0 3 297.359 -1.134 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1CCN(CCOC)C[C@H]1O ZINC001099796800 782837830 /nfs/dbraw/zinc/83/78/30/782837830.db2.gz JDXKYYXJYYXXDC-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CCN(CCOC)C[C@@H]1O ZINC001099791809 782837958 /nfs/dbraw/zinc/83/79/58/782837958.db2.gz LAOSDVYOAWOUHJ-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN CCNC(=O)CC(=O)N[C@H]1CCN(CCOC)C[C@H]1O ZINC001099796803 782838142 /nfs/dbraw/zinc/83/81/42/782838142.db2.gz JDXKYYXJYYXXDC-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CCN1CC[C@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099813308 782838996 /nfs/dbraw/zinc/83/89/96/782838996.db2.gz NCVCOISTKHHTME-VHSXEESVSA-N 0 3 272.349 -1.123 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCS(=O)(=O)NC)[C@@H](O)C1 ZINC001099832171 782839845 /nfs/dbraw/zinc/83/98/45/782839845.db2.gz CLFRWBPAZPGCAR-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099863428 782840943 /nfs/dbraw/zinc/84/09/43/782840943.db2.gz LUTAIOGMYIXQJL-NXEZZACHSA-N 0 3 288.348 -2.151 20 0 CAADHN CCN1CC[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001099864788 782841124 /nfs/dbraw/zinc/84/11/24/782841124.db2.gz VELNTRUBAFRVMD-BDAKNGLRSA-N 0 3 258.322 -1.513 20 0 CAADHN CN(CC(=O)N[C@H]1CCN(CC(N)=O)C[C@H]1O)C1CCC1 ZINC001099880125 782841291 /nfs/dbraw/zinc/84/12/91/782841291.db2.gz VQGLXICPMHNGHI-NWDGAFQWSA-N 0 3 298.387 -1.493 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCN(CCOC)C[C@H]1O ZINC001099863808 782841677 /nfs/dbraw/zinc/84/16/77/782841677.db2.gz OJAXWGDJBUABOP-NXEZZACHSA-N 0 3 288.348 -1.887 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001099858819 782841770 /nfs/dbraw/zinc/84/17/70/782841770.db2.gz RQQDRUWLADHXCN-UWVGGRQHSA-N 0 3 290.339 -1.174 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCN(CCOC)C[C@@H]1O ZINC001099863809 782841922 /nfs/dbraw/zinc/84/19/22/782841922.db2.gz OJAXWGDJBUABOP-UWVGGRQHSA-N 0 3 288.348 -1.887 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099888245 782843407 /nfs/dbraw/zinc/84/34/07/782843407.db2.gz RCJXAONGFDHURS-ZJUUUORDSA-N 0 3 287.360 -1.568 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099888243 782844039 /nfs/dbraw/zinc/84/40/39/782844039.db2.gz RCJXAONGFDHURS-UWVGGRQHSA-N 0 3 287.360 -1.568 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@H](O)C1 ZINC001099936015 782844527 /nfs/dbraw/zinc/84/45/27/782844527.db2.gz YJIWIZDNSXHVLR-GHMZBOCLSA-N 0 3 297.359 -1.457 20 0 CAADHN COCCCN1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001099946178 782844803 /nfs/dbraw/zinc/84/48/03/782844803.db2.gz BLDCGIJCBHYFMB-ZJUUUORDSA-N 0 3 298.347 -1.588 20 0 CAADHN CCN1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099936017 782844997 /nfs/dbraw/zinc/84/49/97/782844997.db2.gz YJIWIZDNSXHVLR-QWRGUYRKSA-N 0 3 297.359 -1.457 20 0 CAADHN COCCCN1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001099946175 782845090 /nfs/dbraw/zinc/84/50/90/782845090.db2.gz BLDCGIJCBHYFMB-NXEZZACHSA-N 0 3 298.347 -1.588 20 0 CAADHN O=C(CCn1ccnc1)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001099940348 782845162 /nfs/dbraw/zinc/84/51/62/782845162.db2.gz UAJOWRHPNLHKPU-VXGBXAGGSA-N 0 3 282.344 -1.183 20 0 CAADHN O=C(CCn1ccnc1)N[C@H]1CCN(CCO)C[C@H]1O ZINC001099940346 782845358 /nfs/dbraw/zinc/84/53/58/782845358.db2.gz UAJOWRHPNLHKPU-NWDGAFQWSA-N 0 3 282.344 -1.183 20 0 CAADHN CCN1CC[C@H](NC(=O)CNS(=O)(=O)NC)[C@H](O)C1 ZINC001099936699 782845503 /nfs/dbraw/zinc/84/55/03/782845503.db2.gz CNAUEYMEWFLEAR-DTWKUNHWSA-N 0 3 294.377 -2.389 20 0 CAADHN COCCCN1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001099946176 782845524 /nfs/dbraw/zinc/84/55/24/782845524.db2.gz BLDCGIJCBHYFMB-UWVGGRQHSA-N 0 3 298.347 -1.588 20 0 CAADHN CCCCOCCN1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099973278 782845591 /nfs/dbraw/zinc/84/55/91/782845591.db2.gz APZLAWRKDIREJD-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980396 782847746 /nfs/dbraw/zinc/84/77/46/782847746.db2.gz HFAHCUOIUDOJRL-ZJUUUORDSA-N 0 3 293.389 -1.374 20 0 CAADHN COCCN1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980343 782847793 /nfs/dbraw/zinc/84/77/93/782847793.db2.gz GPMVEYONDNEQOJ-VHSXEESVSA-N 0 3 285.344 -1.550 20 0 CAADHN COCCN1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980342 782847965 /nfs/dbraw/zinc/84/79/65/782847965.db2.gz GPMVEYONDNEQOJ-UWVGGRQHSA-N 0 3 285.344 -1.550 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001100030267 782848500 /nfs/dbraw/zinc/84/85/00/782848500.db2.gz WRPCYGUZBJLQAC-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CCN(CC)CC(=O)N[C@H]1CCN(CC(N)=O)C[C@H]1O ZINC001100048523 782849220 /nfs/dbraw/zinc/84/92/20/782849220.db2.gz MXVFEHVNYRQDFA-WDEREUQCSA-N 0 3 286.376 -1.635 20 0 CAADHN O=C(NCC1CC1)C(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001100055420 782849275 /nfs/dbraw/zinc/84/92/75/782849275.db2.gz CESNVSAEUMATMJ-NEPJUHHUSA-N 0 3 299.371 -1.554 20 0 CAADHN O=C(NCC1CC1)C(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001100055423 782849891 /nfs/dbraw/zinc/84/98/91/782849891.db2.gz CESNVSAEUMATMJ-VXGBXAGGSA-N 0 3 299.371 -1.554 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100106746 782850185 /nfs/dbraw/zinc/85/01/85/782850185.db2.gz ZNEHLVCLRCQZKV-BDAKNGLRSA-N 0 3 258.322 -1.384 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001100106218 782850350 /nfs/dbraw/zinc/85/03/50/782850350.db2.gz QUVQZSRMRPCTIL-NXEZZACHSA-N 0 3 288.348 -2.021 20 0 CAADHN NC(=O)NCCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001100106220 782850559 /nfs/dbraw/zinc/85/05/59/782850559.db2.gz QUVQZSRMRPCTIL-VHSXEESVSA-N 0 3 288.348 -2.021 20 0 CAADHN Cn1cncc1CCC(=O)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001100094537 782851037 /nfs/dbraw/zinc/85/10/37/782851037.db2.gz OEZAOQBFXGAAED-CHWSQXEVSA-N 0 3 296.371 -1.104 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100105125 782852092 /nfs/dbraw/zinc/85/20/92/782852092.db2.gz FIGLTBSPWQYFLJ-VHSXEESVSA-N 0 3 288.348 -1.757 20 0 CAADHN NC(=O)NCCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001100106219 782852186 /nfs/dbraw/zinc/85/21/86/782852186.db2.gz QUVQZSRMRPCTIL-UWVGGRQHSA-N 0 3 288.348 -2.021 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100143226 782852942 /nfs/dbraw/zinc/85/29/42/782852942.db2.gz QDINYAGRDQBBSB-QWRGUYRKSA-N 0 3 287.360 -1.160 20 0 CAADHN NC(=O)CCCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001100143059 782853364 /nfs/dbraw/zinc/85/33/64/782853364.db2.gz NHGCNJOIUOOUAZ-WDEREUQCSA-N 0 3 287.360 -1.424 20 0 CAADHN CS(=O)(=O)CCNC1CC(CNC(=O)CC(N)=O)C1 ZINC001100209066 782854781 /nfs/dbraw/zinc/85/47/81/782854781.db2.gz RCAYJDHWKAFIGT-UHFFFAOYSA-N 0 3 291.373 -1.609 20 0 CAADHN CNC(=O)CC(=O)NCC1CC(NCc2cnnn2C)C1 ZINC001100276557 782856112 /nfs/dbraw/zinc/85/61/12/782856112.db2.gz OFXBHJDDYCYLCD-UHFFFAOYSA-N 0 3 294.359 -1.064 20 0 CAADHN Cn1nncc1CNC1CC(CNC(=O)C(N)=O)C1 ZINC001100627020 782859349 /nfs/dbraw/zinc/85/93/49/782859349.db2.gz QJMJQRUGFGFXQB-UHFFFAOYSA-N 0 3 266.305 -1.715 20 0 CAADHN C[C@H]([NH2+]C1CC(CNC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001100850316 782861870 /nfs/dbraw/zinc/86/18/70/782861870.db2.gz ZWAKVROUYTVBNX-UEJVZZJDSA-N 0 3 280.332 -1.295 20 0 CAADHN CCS(=O)(=O)CC(=O)NCC1CC(NCC(N)=O)C1 ZINC001101028073 782863357 /nfs/dbraw/zinc/86/33/57/782863357.db2.gz XQXAHTJNEZLORJ-UHFFFAOYSA-N 0 3 291.373 -1.609 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)Cc2nnc[n-]2)C1 ZINC001100851771 782863498 /nfs/dbraw/zinc/86/34/98/782863498.db2.gz FQDVATXGGAFSKS-XNWIYYODSA-N 0 3 294.359 -1.034 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001101684756 782866420 /nfs/dbraw/zinc/86/64/20/782866420.db2.gz PUOPYUUDYRVGCN-FXPVBKGRSA-N 0 3 284.360 -1.320 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101838883 782867343 /nfs/dbraw/zinc/86/73/43/782867343.db2.gz YQKVBLTZMZRPCE-OPRDCNLKSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)CC(N)=O ZINC001101842121 782867816 /nfs/dbraw/zinc/86/78/16/782867816.db2.gz DMQDQWKZLOPKRE-GHMZBOCLSA-N 0 3 296.371 -1.222 20 0 CAADHN C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101838478 782868224 /nfs/dbraw/zinc/86/82/24/782868224.db2.gz FTQOGJTXJRXOPL-GMTAPVOTSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001101907137 782868241 /nfs/dbraw/zinc/86/82/41/782868241.db2.gz PGSKWHOIDBRLIR-KXUCPTDWSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101839997 782868906 /nfs/dbraw/zinc/86/89/06/782868906.db2.gz PKCWZGZJHFPFIJ-GMTAPVOTSA-N 0 3 296.371 -1.223 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306448 782869322 /nfs/dbraw/zinc/86/93/22/782869322.db2.gz UYAHGURRTIQEDZ-IWSPIJDZSA-N 0 3 270.333 -1.580 20 0 CAADHN C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C(N)=O ZINC001102304433 782869394 /nfs/dbraw/zinc/86/93/94/782869394.db2.gz HEFOALQCJUBAMI-HLTSFMKQSA-N 0 3 296.327 -2.039 20 0 CAADHN C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1CNC(=O)C(N)=O ZINC001102306303 782869479 /nfs/dbraw/zinc/86/94/79/782869479.db2.gz NVTINGQAVFJRAE-MWLCHTKSSA-N 0 3 296.371 -1.318 20 0 CAADHN CCN1CC[C@H](N2C[C@@H](CNC(=O)C(N)=O)[C@H](C)C2)C1=O ZINC001102306170 782869908 /nfs/dbraw/zinc/86/99/08/782869908.db2.gz JSGRSRNXHRNLEZ-MXWKQRLJSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@H](C(=O)NC1CC1)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102301085 782869940 /nfs/dbraw/zinc/86/99/40/782869940.db2.gz OZOTVMWVYBVHHO-OPRDCNLKSA-N 0 3 296.371 -1.177 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102304790 782870574 /nfs/dbraw/zinc/87/05/74/782870574.db2.gz XJQHQNYZPHTLHO-BWZBUEFSSA-N 0 3 256.306 -1.970 20 0 CAADHN C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)C(N)=O ZINC001102304555 782870658 /nfs/dbraw/zinc/87/06/58/782870658.db2.gz MITCZQZNRNZHLG-OPRDCNLKSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102304791 782870729 /nfs/dbraw/zinc/87/07/29/782870729.db2.gz XJQHQNYZPHTLHO-GJMOJQLCSA-N 0 3 256.306 -1.970 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306080 782870872 /nfs/dbraw/zinc/87/08/72/782870872.db2.gz FTXSFQOGSDGRLN-KXUCPTDWSA-N 0 3 284.360 -1.368 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCC(=O)N1 ZINC001102777703 782871775 /nfs/dbraw/zinc/87/17/75/782871775.db2.gz YODRZATTYKXYCM-GMTAPVOTSA-N 0 3 296.371 -1.176 20 0 CAADHN CCN(C)C(=O)CN1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102309331 782871836 /nfs/dbraw/zinc/87/18/36/782871836.db2.gz UNKZULYMNOPNES-NXEZZACHSA-N 0 3 284.360 -1.366 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1COC(=O)N1 ZINC001102936995 782872246 /nfs/dbraw/zinc/87/22/46/782872246.db2.gz QDJDGOTUNOCROA-OPRDCNLKSA-N 0 3 298.343 -1.346 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)Cn1ncnn1 ZINC001102991694 782872364 /nfs/dbraw/zinc/87/23/64/782872364.db2.gz XJTWKPIJNFMCSS-NXEZZACHSA-N 0 3 295.347 -1.767 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)Cn1cnnn1 ZINC001102656772 782872442 /nfs/dbraw/zinc/87/24/42/782872442.db2.gz OKDCTPNFVHVONJ-NXEZZACHSA-N 0 3 295.347 -1.767 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)Cn2cncn2)[C@H](C)C1 ZINC001102556481 782872474 /nfs/dbraw/zinc/87/24/74/782872474.db2.gz BDQMJBFQIMCZHH-OUAUKWLOSA-N 0 3 294.359 -1.164 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1COCCO1 ZINC001102684920 782873303 /nfs/dbraw/zinc/87/33/03/782873303.db2.gz OKQYZVRQQZFQEE-IJLUTSLNSA-N 0 3 299.371 -1.039 20 0 CAADHN CNC(=O)CC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001102898683 782872854 /nfs/dbraw/zinc/87/28/54/782872854.db2.gz WZCFFRMLUDXUBE-NXEZZACHSA-N 0 3 284.360 -1.318 20 0 CAADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1CNC(=O)C(N)=O ZINC001102310069 782872891 /nfs/dbraw/zinc/87/28/91/782872891.db2.gz MYJNHKRVKUOPML-RKDXNWHRSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCNC1=O ZINC001103316548 782874173 /nfs/dbraw/zinc/87/41/73/782874173.db2.gz IWIWBDUSCJBYKR-MXWKQRLJSA-N 0 3 296.371 -1.318 20 0 CAADHN C[C@@H]1CN(Cc2cnnn2C)C[C@H]1CCNC(=O)C(N)=O ZINC001103391854 782874573 /nfs/dbraw/zinc/87/45/73/782874573.db2.gz YZNQCXWZYUOPLD-NXEZZACHSA-N 0 3 294.359 -1.125 20 0 CAADHN COC[C@H](O)CN1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111857085 782876136 /nfs/dbraw/zinc/87/61/36/782876136.db2.gz UYMFXGHJKPWXGW-CWSCBRNRSA-N 0 3 285.344 -1.550 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@H]1CN(CCOCCO)C2 ZINC001111856658 782876404 /nfs/dbraw/zinc/87/64/04/782876404.db2.gz BEAARJCPXOBRNY-GWCFXTLKSA-N 0 3 285.344 -1.549 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115189051 782879884 /nfs/dbraw/zinc/87/98/84/782879884.db2.gz WUDGJIUNJHRIOD-JZYVYDRUSA-N 0 3 291.373 -2.084 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC1 ZINC001114970565 782877919 /nfs/dbraw/zinc/87/79/19/782877919.db2.gz OMQHQCNYGRDDPJ-MYJAWHEDSA-N 0 3 267.329 -1.449 20 0 CAADHN O=C(CCn1cnccc1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115043572 782878276 /nfs/dbraw/zinc/87/82/76/782878276.db2.gz DVTDYQSYGCJQSI-YABSGUDNSA-N 0 3 292.339 -1.328 20 0 CAADHN O=C(Cn1ccnc1)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001115341566 782881571 /nfs/dbraw/zinc/88/15/71/782881571.db2.gz FWPOFIBXFKBPKO-IMRBUKKESA-N 0 3 294.355 -1.062 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115293865 782881979 /nfs/dbraw/zinc/88/19/79/782881979.db2.gz DBQIMYTYIIJUNS-MYJAWHEDSA-N 0 3 284.360 -1.267 20 0 CAADHN Cn1cc(CCC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)nn1 ZINC001115357980 782882536 /nfs/dbraw/zinc/88/25/36/782882536.db2.gz FDUWFHQWWWKAIU-PJXYFTJBSA-N 0 3 279.344 -1.214 20 0 CAADHN CNC(=O)CNC1(CNC(=O)C(N)=O)CCCCC1 ZINC001115701881 782883032 /nfs/dbraw/zinc/88/30/32/782883032.db2.gz JYPLUGWNWMZRRY-UHFFFAOYSA-N 0 3 270.333 -1.374 20 0 CAADHN C[C@@H](C(=O)NC[C@@H]1CN(C)CCN1C)N1CCN(C)CC1 ZINC001116046368 782886326 /nfs/dbraw/zinc/88/63/26/782886326.db2.gz GHQINSOVTZVGJQ-UONOGXRCSA-N 0 3 297.447 -1.016 20 0 CAADHN C[C@H](C(=O)NC[C@H]1CN(C)CCN1C)N1CCN(C)CC1 ZINC001116046367 782886522 /nfs/dbraw/zinc/88/65/22/782886522.db2.gz GHQINSOVTZVGJQ-KGLIPLIRSA-N 0 3 297.447 -1.016 20 0 CAADHN CN(C)Cc1cccc(C(=O)NC(C(N)=O)C(N)=O)c1 ZINC001116126761 782888125 /nfs/dbraw/zinc/88/81/25/782888125.db2.gz VCSOQENGZKCGET-UHFFFAOYSA-N 0 3 278.312 -1.183 20 0 CAADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)N(C)C ZINC001116525347 782901369 /nfs/dbraw/zinc/90/13/69/782901369.db2.gz IGDIUFSIBUKIOZ-SFYZADRCSA-N 0 3 294.377 -2.154 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCCN2C(=O)CNC2=O)C1 ZINC001116616506 782903577 /nfs/dbraw/zinc/90/35/77/782903577.db2.gz MLIPVQVVVGZYLV-LBPRGKRZSA-N 0 3 299.331 -2.096 20 0 CAADHN C[C@H](CCN1CCN(C)CC1)NC(=S)NCC(N)=O ZINC001116625681 782904593 /nfs/dbraw/zinc/90/45/93/782904593.db2.gz NTGIFXJRVTWZBK-SNVBAGLBSA-N 0 3 287.433 -1.038 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC001207959337 775101423 /nfs/dbraw/zinc/10/14/23/775101423.db2.gz SHZVYAHVFFTUGZ-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN COCCCN1CCN(CCCNC(=O)C(N)=O)CC1 ZINC001266271692 775102916 /nfs/dbraw/zinc/10/29/16/775102916.db2.gz PADMPPLTGKQTCD-UHFFFAOYSA-N 0 3 286.376 -1.368 20 0 CAADHN COC[C@@H](C)N(C)CCNC(=O)Cn1ncnn1 ZINC001266275324 775103274 /nfs/dbraw/zinc/10/32/74/775103274.db2.gz VIALMKYSHSPOEO-SECBINFHSA-N 0 3 256.310 -1.244 20 0 CAADHN COC[C@H](C)N(C)CCNC(=O)Cn1ncnn1 ZINC001266275325 775103438 /nfs/dbraw/zinc/10/34/38/775103438.db2.gz VIALMKYSHSPOEO-VIFPVBQESA-N 0 3 256.310 -1.244 20 0 CAADHN CN(CCO)CCNC(=O)CCNS(C)(=O)=O ZINC001266280297 775104519 /nfs/dbraw/zinc/10/45/19/775104519.db2.gz AAARDUVRSJLEGN-UHFFFAOYSA-N 0 3 267.351 -2.034 20 0 CAADHN NC(C(=O)N[C@@H]1CCC(=O)NC1=O)C(F)(F)F ZINC000705245892 775105305 /nfs/dbraw/zinc/10/53/05/775105305.db2.gz XUGUCNQPZZMWMA-NQXXGFSBSA-N 0 3 253.180 -1.203 20 0 CAADHN CNC(=O)CNCCNC(=O)CCCN(C)C(C)=O ZINC001149247117 775105405 /nfs/dbraw/zinc/10/54/05/775105405.db2.gz BNGQLJKZBKZGRF-UHFFFAOYSA-N 0 3 272.349 -1.303 20 0 CAADHN NC(=O)[C@H]1CN(c2ncc3c(n2)CCNC3)CCO1 ZINC001167069233 775106840 /nfs/dbraw/zinc/10/68/40/775106840.db2.gz CKXLUVKVASOTHQ-SNVBAGLBSA-N 0 3 263.301 -1.187 20 0 CAADHN CNS(=O)(=O)CCNC(=O)C(N)C(F)(F)F ZINC000705286135 775107044 /nfs/dbraw/zinc/10/70/44/775107044.db2.gz RWBXOHPQHHAYFT-SCSAIBSYSA-N 0 3 263.241 -1.459 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cccc(=O)[nH]1 ZINC001125291838 775107756 /nfs/dbraw/zinc/10/77/56/775107756.db2.gz MLJFDPICBDSZGH-UHFFFAOYSA-N 0 3 252.274 -1.147 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CCN1C(=O)CCC1=O ZINC001266295565 775109930 /nfs/dbraw/zinc/10/99/30/775109930.db2.gz PTIAKAYTXZURJE-SNVBAGLBSA-N 0 3 285.344 -1.046 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CCNC1=O ZINC001266308853 775112174 /nfs/dbraw/zinc/11/21/74/775112174.db2.gz GEILVLNZDIOUOG-NXEZZACHSA-N 0 3 273.333 -1.822 20 0 CAADHN OC[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CC[C@@H]1O ZINC000396799240 775115340 /nfs/dbraw/zinc/11/53/40/775115340.db2.gz JLFFOGCUMOGYCB-AVGNSLFASA-N 0 3 274.361 -1.645 20 0 CAADHN C[C@H](CNC(=O)c1ncn[nH]1)N(C)[C@H](C)C(N)=O ZINC001282466759 775117666 /nfs/dbraw/zinc/11/76/66/775117666.db2.gz DGCVWIBFIBXGDS-RNFRBKRXSA-N 0 3 254.294 -1.271 20 0 CAADHN C[C@H](CNC(=O)c1nc[nH]n1)N(C)[C@H](C)C(N)=O ZINC001282466759 775117670 /nfs/dbraw/zinc/11/76/70/775117670.db2.gz DGCVWIBFIBXGDS-RNFRBKRXSA-N 0 3 254.294 -1.271 20 0 CAADHN OC[C@@H]1CN(C[C@H](O)CN2CCOCC2)CC[C@H]1O ZINC000396799243 775117960 /nfs/dbraw/zinc/11/79/60/775117960.db2.gz JLFFOGCUMOGYCB-YNEHKIRRSA-N 0 3 274.361 -1.645 20 0 CAADHN CN(C)S(=O)(=O)CCNC(=O)C(N)C(F)(F)F ZINC000705544493 775119219 /nfs/dbraw/zinc/11/92/19/775119219.db2.gz DBAFBMWEMNPUSN-YFKPBYRVSA-N 0 3 277.268 -1.116 20 0 CAADHN CS(=O)(=O)NC1CN(C(=O)C(N)C(F)(F)F)C1 ZINC000705541584 775119440 /nfs/dbraw/zinc/11/94/40/775119440.db2.gz FTYIUYHINHEXSB-YFKPBYRVSA-N 0 3 275.252 -1.364 20 0 CAADHN CN(CCNC(=O)c1ncn[nH]1)[C@H]1CCN(C)C1=O ZINC001266339954 775119467 /nfs/dbraw/zinc/11/94/67/775119467.db2.gz CFMFIVMURWXOQO-QMMMGPOBSA-N 0 3 266.305 -1.303 20 0 CAADHN CN(CCNC(=O)c1nc[nH]n1)[C@H]1CCN(C)C1=O ZINC001266339954 775119473 /nfs/dbraw/zinc/11/94/73/775119473.db2.gz CFMFIVMURWXOQO-QMMMGPOBSA-N 0 3 266.305 -1.303 20 0 CAADHN COCC(=O)N(C)CCOCCN[C@@H]1CCNC1=O ZINC001279376142 775121297 /nfs/dbraw/zinc/12/12/97/775121297.db2.gz VRNBHVXPPQSJBR-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN CS(=O)(=O)NCCN[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209364758 775125075 /nfs/dbraw/zinc/12/50/75/775125075.db2.gz FQSZLOBDLPGNAR-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN CCN(CCNC(=O)Cn1cnnn1)CCOC ZINC001266375853 775125500 /nfs/dbraw/zinc/12/55/00/775125500.db2.gz WQLRHORRFOXLCR-UHFFFAOYSA-N 0 3 256.310 -1.242 20 0 CAADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2C[C@H](CO)[C@H](O)C2)O1 ZINC001209271975 775125524 /nfs/dbraw/zinc/12/55/24/775125524.db2.gz ZUGYEIYRSFYMRR-PZWNZHSQSA-N 0 3 291.344 -1.855 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209385931 775125826 /nfs/dbraw/zinc/12/58/26/775125826.db2.gz JEWRIDGXNHRASQ-ZETCQYMHSA-N 0 3 285.304 -2.492 20 0 CAADHN CCN(CCNC(=O)[C@H]1CCNC1=O)C[C@H](O)COC ZINC001266408841 775127679 /nfs/dbraw/zinc/12/76/79/775127679.db2.gz VJKXLQRSEOKQNK-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)CC(N)=O)C1CC1)C(N)=O ZINC001266400855 775127837 /nfs/dbraw/zinc/12/78/37/775127837.db2.gz DNKYOCATZQVPQK-HTRCEHHLSA-N 0 3 256.306 -1.780 20 0 CAADHN Cc1ncoc1C(=O)NCCNCC(=O)NC(N)=O ZINC001125317161 775127922 /nfs/dbraw/zinc/12/79/22/775127922.db2.gz FHFPWPPJHJNISE-UHFFFAOYSA-N 0 3 269.261 -1.503 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ocnc1C ZINC001125317194 775128093 /nfs/dbraw/zinc/12/80/93/775128093.db2.gz GURSPFHBDXDMSG-UHFFFAOYSA-N 0 3 283.288 -1.242 20 0 CAADHN CCN(CCNC(=O)[C@@H]1CCNC1=O)C[C@H](O)COC ZINC001266408842 775128127 /nfs/dbraw/zinc/12/81/27/775128127.db2.gz VJKXLQRSEOKQNK-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)CC(N)=O)C1CC1)C(N)=O ZINC001266400860 775128471 /nfs/dbraw/zinc/12/84/71/775128471.db2.gz DNKYOCATZQVPQK-XPUUQOCRSA-N 0 3 256.306 -1.780 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CCN(C)C1=O)C1CC1 ZINC001266427410 775129731 /nfs/dbraw/zinc/12/97/31/775129731.db2.gz YKXWHQUPGMEYSO-GHMZBOCLSA-N 0 3 296.371 -1.305 20 0 CAADHN CS(=O)(=O)NCCN[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001266425804 775130376 /nfs/dbraw/zinc/13/03/76/775130376.db2.gz BPLQDFUYCUHGJR-MRVPVSSYSA-N 0 3 292.361 -2.495 20 0 CAADHN NC(=O)CC(=O)N1CCC([C@@H]2CCN(CC(N)=O)C2)CC1 ZINC001039121792 775130425 /nfs/dbraw/zinc/13/04/25/775130425.db2.gz NFFXFQKRFUGMPN-LLVKDONJSA-N 0 3 296.371 -1.092 20 0 CAADHN CS(=O)(=O)NCCN[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001266425805 775130472 /nfs/dbraw/zinc/13/04/72/775130472.db2.gz BPLQDFUYCUHGJR-QMMMGPOBSA-N 0 3 292.361 -2.495 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001266425849 775130732 /nfs/dbraw/zinc/13/07/32/775130732.db2.gz CAAAWLJUOZCMRP-POYBYMJQSA-N 0 3 256.306 -1.909 20 0 CAADHN NCc1cc(N2CCN3C(=O)COC[C@H]3C2)ncn1 ZINC001167228962 775131933 /nfs/dbraw/zinc/13/19/33/775131933.db2.gz PBTJIRJFRNHOOG-SNVBAGLBSA-N 0 3 263.301 -1.017 20 0 CAADHN Cc1ncoc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001125331634 775132858 /nfs/dbraw/zinc/13/28/58/775132858.db2.gz ZLTWKIKJALSLAY-ZETCQYMHSA-N 0 3 283.288 -1.114 20 0 CAADHN COCCNCC(=O)NCCNS(C)(=O)=O ZINC000086157980 775134143 /nfs/dbraw/zinc/13/41/43/775134143.db2.gz HLPWRDDOGQJUJR-UHFFFAOYSA-N 0 3 253.324 -2.112 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001266480423 775134242 /nfs/dbraw/zinc/13/42/42/775134242.db2.gz QWHCXLFYUJWZBH-GHMZBOCLSA-N 0 3 299.371 -1.160 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001210106903 775136623 /nfs/dbraw/zinc/13/66/23/775136623.db2.gz LPKDMHVGXSAGGZ-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001210106892 775137072 /nfs/dbraw/zinc/13/70/72/775137072.db2.gz LPKDMHVGXSAGGZ-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001266504476 775137323 /nfs/dbraw/zinc/13/73/23/775137323.db2.gz DMMQNRXFBBVHID-VHSXEESVSA-N 0 3 296.327 -1.882 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)NC[C@H]1CCCN1CCO ZINC001266492416 775137365 /nfs/dbraw/zinc/13/73/65/775137365.db2.gz OOMSVYXWMQWGQK-NXEZZACHSA-N 0 3 298.343 -1.453 20 0 CAADHN COCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001206980413 775138736 /nfs/dbraw/zinc/13/87/36/775138736.db2.gz BFBPWAGZJTZSCO-QMMMGPOBSA-N 0 3 272.305 -1.592 20 0 CAADHN C[C@H](C(=O)NCC1CC(NCC(N)=O)C1)S(C)(=O)=O ZINC001100450726 775138919 /nfs/dbraw/zinc/13/89/19/775138919.db2.gz IEQPFIAJEBEJHH-AFPNSQJFSA-N 0 3 291.373 -1.611 20 0 CAADHN COCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001206982461 775139349 /nfs/dbraw/zinc/13/93/49/775139349.db2.gz PCJJPMKPDHJTEU-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN COCC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001206982462 775139577 /nfs/dbraw/zinc/13/95/77/775139577.db2.gz PCJJPMKPDHJTEU-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001266527692 775141152 /nfs/dbraw/zinc/14/11/52/775141152.db2.gz BMLQQNQLCDCILK-SFYZADRCSA-N 0 3 256.306 -1.826 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001266527690 775141462 /nfs/dbraw/zinc/14/14/62/775141462.db2.gz BMLQQNQLCDCILK-HTQZYQBOSA-N 0 3 256.306 -1.826 20 0 CAADHN CCS(=O)(=O)CCCN[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001266545570 775142490 /nfs/dbraw/zinc/14/24/90/775142490.db2.gz VUHHZQGZUWUNND-VIFPVBQESA-N 0 3 291.373 -1.513 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)c1n[nH]nc1C ZINC001279429942 775142922 /nfs/dbraw/zinc/14/29/22/775142922.db2.gz NPWYCOFMBLFRLO-UHFFFAOYSA-N 0 3 298.347 -1.463 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C2(C(=O)NC)CCC2)C1 ZINC001266562207 775143957 /nfs/dbraw/zinc/14/39/57/775143957.db2.gz QQDHNBQVOATRSL-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CS(=O)(=O)CCNCCNC(=O)CCc1nnc[nH]1 ZINC001125420165 775146058 /nfs/dbraw/zinc/14/60/58/775146058.db2.gz YUCCRGIGYCYANY-UHFFFAOYSA-N 0 3 289.361 -1.512 20 0 CAADHN CC[C@H]([NH2+]CCNC(=O)CCc1nnc[n-]1)C(N)=O ZINC001125414550 775145879 /nfs/dbraw/zinc/14/58/79/775145879.db2.gz TZZKNVUCSFIJSO-QMMMGPOBSA-N 0 3 268.321 -1.293 20 0 CAADHN Cn1nnc(CNCCCNC(=O)Cc2cnc[nH]2)n1 ZINC001167355731 775146983 /nfs/dbraw/zinc/14/69/83/775146983.db2.gz YCGWVVRITNURSJ-UHFFFAOYSA-N 0 3 278.320 -1.228 20 0 CAADHN Cc1[nH]ccc1C(=O)NCCNCC(=O)NC(N)=O ZINC001125429303 775148587 /nfs/dbraw/zinc/14/85/87/775148587.db2.gz BDWKMBGNHBMREG-UHFFFAOYSA-N 0 3 267.289 -1.163 20 0 CAADHN Cn1nnc(C(=O)NCCN(CCCO)C2CC2)n1 ZINC001266606815 775150555 /nfs/dbraw/zinc/15/05/55/775150555.db2.gz FYYGUSCVZHOEMQ-UHFFFAOYSA-N 0 3 268.321 -1.213 20 0 CAADHN O=C(NCCN(CCO)C1CC1)[C@H]1CNC(=O)N1 ZINC001266607144 775150633 /nfs/dbraw/zinc/15/06/33/775150633.db2.gz PFJMZMBVNIBUHI-SECBINFHSA-N 0 3 256.306 -1.759 20 0 CAADHN C[C@H]1NC(=O)N(CCN(CCO)CCCO)C1=O ZINC001167416311 775152835 /nfs/dbraw/zinc/15/28/35/775152835.db2.gz HXHCMQMAQMKUIR-SECBINFHSA-N 0 3 259.306 -1.397 20 0 CAADHN COCCC(=O)N(C)CCNCC(=O)NC(N)=O ZINC001266624124 775154450 /nfs/dbraw/zinc/15/44/50/775154450.db2.gz RDTQWNPYAKCSBT-UHFFFAOYSA-N 0 3 260.294 -1.734 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001207116040 775154557 /nfs/dbraw/zinc/15/45/57/775154557.db2.gz HNHMTPPYTUEJLZ-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN COCC(=O)N(C)CCNCC(=O)N1CCOCC1 ZINC001266623545 775154634 /nfs/dbraw/zinc/15/46/34/775154634.db2.gz CYPKVLQHQNXMTP-UHFFFAOYSA-N 0 3 273.333 -1.460 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001266634529 775154947 /nfs/dbraw/zinc/15/49/47/775154947.db2.gz VOBAGCNYRVMUHT-ZETCQYMHSA-N 0 3 287.320 -2.246 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001207116039 775155268 /nfs/dbraw/zinc/15/52/68/775155268.db2.gz HNHMTPPYTUEJLZ-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001207116041 775155337 /nfs/dbraw/zinc/15/53/37/775155337.db2.gz HNHMTPPYTUEJLZ-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)NC(=O)CNCCN(C)C(=O)COC ZINC001266624140 775155598 /nfs/dbraw/zinc/15/55/98/775155598.db2.gz RSXMQLFBXCGQRU-UHFFFAOYSA-N 0 3 274.321 -1.474 20 0 CAADHN C[C@@H]1CCN(C(=O)CC(N)=O)[C@H](CN[C@H]2CCNC2=O)C1 ZINC001087138456 775156648 /nfs/dbraw/zinc/15/66/48/775156648.db2.gz NDDADPBUAGHBKG-VWYCJHECSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CC[C@H]1CCOC1 ZINC001125471800 775156818 /nfs/dbraw/zinc/15/68/18/775156818.db2.gz CFSFXJWXHYDYTF-VIFPVBQESA-N 0 3 286.332 -1.296 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cc[nH]n1 ZINC001266646376 775157039 /nfs/dbraw/zinc/15/70/39/775157039.db2.gz CPNODBYRMWSIQR-MRVPVSSYSA-N 0 3 251.290 -1.040 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)[C@@H](C)COC ZINC001266656870 775158946 /nfs/dbraw/zinc/15/89/46/775158946.db2.gz GRGIQZYLBJKRCO-VIFPVBQESA-N 0 3 288.348 -1.228 20 0 CAADHN COCCOCC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001266663522 775159581 /nfs/dbraw/zinc/15/95/81/775159581.db2.gz ZFJAVXUPACUWFS-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)NCC(=O)N1CCC1 ZINC001266929647 775186804 /nfs/dbraw/zinc/18/68/04/775186804.db2.gz JAVDSQFXCJLJJI-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2nnc[n-]2)C1 ZINC001266676833 775160409 /nfs/dbraw/zinc/16/04/09/775160409.db2.gz XNYQYJQXPBQTSG-OCAPTIKFSA-N 0 3 266.305 -1.541 20 0 CAADHN CN(CCNCC(N)=O)C(=O)C[C@H]1COC(=O)C1 ZINC001266675785 775160991 /nfs/dbraw/zinc/16/09/91/775160991.db2.gz XVOSLBYGQFKVNO-MRVPVSSYSA-N 0 3 257.290 -1.527 20 0 CAADHN CCn1ncc(C(=O)N(C)CCN[C@H](C)C(N)=O)n1 ZINC001266689721 775161647 /nfs/dbraw/zinc/16/16/47/775161647.db2.gz AUUZPIYNERMEIH-MRVPVSSYSA-N 0 3 268.321 -1.167 20 0 CAADHN Cc1ccc(C(=O)N(C)CCNCC(N)=O)nn1 ZINC001266696886 775164085 /nfs/dbraw/zinc/16/40/85/775164085.db2.gz VIQPNIOGNQYKFC-UHFFFAOYSA-N 0 3 251.290 -1.068 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H](C)N1C(=O)CCC1=O)C(N)=O ZINC001266718268 775164824 /nfs/dbraw/zinc/16/48/24/775164824.db2.gz JHHRVHYPYJIHSA-BDAKNGLRSA-N 0 3 298.343 -1.554 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001266716283 775165287 /nfs/dbraw/zinc/16/52/87/775165287.db2.gz PEZWEZVAJAHECS-QMMMGPOBSA-N 0 3 256.306 -2.002 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1cc[nH]c1 ZINC001266708884 775165463 /nfs/dbraw/zinc/16/54/63/775165463.db2.gz OTKABNDPKTZBHL-UHFFFAOYSA-N 0 3 267.289 -1.129 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CNC(=O)c1ccncc1 ZINC001266708491 775165630 /nfs/dbraw/zinc/16/56/30/775165630.db2.gz IFPWJUOBZWXGAP-UHFFFAOYSA-N 0 3 293.327 -1.655 20 0 CAADHN CS(=O)(=O)CCN[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001266710985 775165773 /nfs/dbraw/zinc/16/57/73/775165773.db2.gz ICPINKCCBZPJCE-KNVOCYPGSA-N 0 3 263.319 -2.247 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cccc(C(N)=O)c1 ZINC001266745892 775167726 /nfs/dbraw/zinc/16/77/26/775167726.db2.gz NIMVDKDREAUXPQ-UHFFFAOYSA-N 0 3 278.312 -1.068 20 0 CAADHN C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)NC(N)=O)CO1 ZINC001266748344 775167749 /nfs/dbraw/zinc/16/77/49/775167749.db2.gz CHVBFGASXARWSN-DTWKUNHWSA-N 0 3 286.332 -1.346 20 0 CAADHN NC(=O)CC(=O)NC[C@H]1CCCN(CCn2cncn2)C1 ZINC001266747040 775168062 /nfs/dbraw/zinc/16/80/62/775168062.db2.gz MIBDOCQERHSLDU-LLVKDONJSA-N 0 3 294.359 -1.018 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207192436 775168966 /nfs/dbraw/zinc/16/89/66/775168966.db2.gz QXYYOEHVMUXMHP-WCBMZHEXSA-N 0 3 270.333 -1.423 20 0 CAADHN Cn1cc(C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)nn1 ZINC001022041594 775170626 /nfs/dbraw/zinc/17/06/26/775170626.db2.gz RGANXLLQFILWKX-DTORHVGOSA-N 0 3 290.331 -1.006 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001267199056 775213743 /nfs/dbraw/zinc/21/37/43/775213743.db2.gz ILBZRSUDIDIYSE-VHSXEESVSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(CCCO)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001267217997 775215002 /nfs/dbraw/zinc/21/50/02/775215002.db2.gz VDXXECBBZCSFPR-LBPRGKRZSA-N 0 3 257.334 -1.057 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)c1nnn(C)n1 ZINC001266805527 775173585 /nfs/dbraw/zinc/17/35/85/775173585.db2.gz CYMPVLSJGIMRIT-UHFFFAOYSA-N 0 3 281.320 -1.896 20 0 CAADHN CN(CCNCCc1nnn(C(C)(C)C)n1)C(=O)C(N)=O ZINC001266824962 775174708 /nfs/dbraw/zinc/17/47/08/775174708.db2.gz YDBOBAFNNLEZDE-UHFFFAOYSA-N 0 3 297.363 -1.496 20 0 CAADHN CC(C)NC(=O)CNCCN(C)C(=O)C1(C(N)=O)CC1 ZINC001266822162 775175153 /nfs/dbraw/zinc/17/51/53/775175153.db2.gz NZCUIGHWRMWHNN-UHFFFAOYSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001266822270 775175276 /nfs/dbraw/zinc/17/52/76/775175276.db2.gz RWTXLRBQMQMRLK-RNFRBKRXSA-N 0 3 257.294 -2.410 20 0 CAADHN CC(C)CNC(=O)CNCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001266822471 775175613 /nfs/dbraw/zinc/17/56/13/775175613.db2.gz YHALXYHEVDGPOL-SNVBAGLBSA-N 0 3 299.375 -1.512 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001266845785 775176502 /nfs/dbraw/zinc/17/65/02/775176502.db2.gz LSLGQQZAQUHKLO-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001266829781 775177117 /nfs/dbraw/zinc/17/71/17/775177117.db2.gz JNTUYEYQPWRVPA-NSHDSACASA-N 0 3 256.306 -1.812 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H]1CCCCN1CCO ZINC001266842211 775177683 /nfs/dbraw/zinc/17/76/83/775177683.db2.gz JDRAQNFIABIULB-JTQLQIEISA-N 0 3 268.321 -1.364 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1cc(C)[nH]n1 ZINC001125542801 775178293 /nfs/dbraw/zinc/17/82/93/775178293.db2.gz WXOJRCKVWMVFBD-UHFFFAOYSA-N 0 3 253.306 -1.288 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1cc(C)n[nH]1 ZINC001125542801 775178300 /nfs/dbraw/zinc/17/83/00/775178300.db2.gz WXOJRCKVWMVFBD-UHFFFAOYSA-N 0 3 253.306 -1.288 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@H](C)C(N)=O)n[nH]1 ZINC001125546846 775179947 /nfs/dbraw/zinc/17/99/47/775179947.db2.gz MMLFKVQJLXXKBG-MRVPVSSYSA-N 0 3 253.306 -1.160 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@H](C)C(N)=O)[nH]n1 ZINC001125546846 775179956 /nfs/dbraw/zinc/17/99/56/775179956.db2.gz MMLFKVQJLXXKBG-MRVPVSSYSA-N 0 3 253.306 -1.160 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@@H]2CCC(=O)NC2=O)n[nH]1 ZINC001125547000 775180234 /nfs/dbraw/zinc/18/02/34/775180234.db2.gz QSUDPUUPRPBZJT-SNVBAGLBSA-N 0 3 293.327 -1.228 20 0 CAADHN Cc1cc(CC(=O)NCCNCC(=O)NC(N)=O)n[nH]1 ZINC001125546881 775180533 /nfs/dbraw/zinc/18/05/33/775180533.db2.gz NBFCTRSDYRFPLU-UHFFFAOYSA-N 0 3 282.304 -1.839 20 0 CAADHN Cc1cc(CC(=O)NCCNCC(=O)NC(N)=O)[nH]n1 ZINC001125546881 775180535 /nfs/dbraw/zinc/18/05/35/775180535.db2.gz NBFCTRSDYRFPLU-UHFFFAOYSA-N 0 3 282.304 -1.839 20 0 CAADHN Cc1ncncc1C(=O)NC[C@H](C)NCC(N)=O ZINC001266927375 775183485 /nfs/dbraw/zinc/18/34/85/775183485.db2.gz WOZJYXFSOSVLGV-ZETCQYMHSA-N 0 3 251.290 -1.022 20 0 CAADHN C[C@@H](CNC(=O)c1ccon1)NCCNS(C)(=O)=O ZINC001266926842 775183831 /nfs/dbraw/zinc/18/38/31/775183831.db2.gz RBCVIZKLBNJESH-QMMMGPOBSA-N 0 3 290.345 -1.068 20 0 CAADHN Cc1ncncc1C(=O)NC[C@@H](C)NCC(N)=O ZINC001266927374 775184938 /nfs/dbraw/zinc/18/49/38/775184938.db2.gz WOZJYXFSOSVLGV-SSDOTTSWSA-N 0 3 251.290 -1.022 20 0 CAADHN COCCOCC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001266926578 775185068 /nfs/dbraw/zinc/18/50/68/775185068.db2.gz BHHKVQPROFWBFW-VHSXEESVSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@H]1CCNC1=O ZINC001266922666 775185089 /nfs/dbraw/zinc/18/50/89/775185089.db2.gz RKZOWBRRPJCCPD-SFYZADRCSA-N 0 3 267.293 -2.344 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N[C@H]1CCC(=O)NC1=O ZINC001266939434 775185980 /nfs/dbraw/zinc/18/59/80/775185980.db2.gz IAIYWSVFZWWZQQ-SFYZADRCSA-N 0 3 295.303 -2.427 20 0 CAADHN CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)CC(N)=O ZINC001266930245 775186255 /nfs/dbraw/zinc/18/62/55/775186255.db2.gz QRKBOIZSARLAIU-VIFPVBQESA-N 0 3 272.349 -1.177 20 0 CAADHN CS(=O)(=O)CCCNC(=O)C[C@@H]1CNCCO1 ZINC000091301604 775186319 /nfs/dbraw/zinc/18/63/19/775186319.db2.gz USELPWXJZLNXJO-SECBINFHSA-N 0 3 264.347 -1.084 20 0 CAADHN Cc1nnc(CC(=O)NC[C@@H](C)NCC(N)=O)o1 ZINC001266935868 775186339 /nfs/dbraw/zinc/18/63/39/775186339.db2.gz ONJSJVHLJPOXMB-ZCFIWIBFSA-N 0 3 255.278 -1.500 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N[C@@H]1CCC(=O)NC1=O ZINC001266939432 775186592 /nfs/dbraw/zinc/18/65/92/775186592.db2.gz IAIYWSVFZWWZQQ-HTQZYQBOSA-N 0 3 295.303 -2.427 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001266948400 775187435 /nfs/dbraw/zinc/18/74/35/775187435.db2.gz DWFKEVIYTVXSPP-MRVPVSSYSA-N 0 3 272.349 -1.272 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCNC1=O)NCC(=O)NCC1CC1 ZINC001266962107 775187637 /nfs/dbraw/zinc/18/76/37/775187637.db2.gz OAQFPMWRQABCKU-GXSJLCMTSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H](CNC(=O)c1cnc[n-]c1=O)[NH2+][C@@H](C)C(N)=O ZINC001266946239 775187713 /nfs/dbraw/zinc/18/77/13/775187713.db2.gz JZTAHNBFJIRVKP-BQBZGAKWSA-N 0 3 267.289 -1.236 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)NCC(=O)N(C)C ZINC001266944221 775187957 /nfs/dbraw/zinc/18/79/57/775187957.db2.gz JANPYVFGBXFWGX-YUMQZZPRSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)NCCF ZINC001266947581 775188197 /nfs/dbraw/zinc/18/81/97/775188197.db2.gz CAJVNFLZFLNVRC-QMMMGPOBSA-N 0 3 259.285 -1.354 20 0 CAADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)NCC(N)=O ZINC001266946238 775188269 /nfs/dbraw/zinc/18/82/69/775188269.db2.gz JZHMEZBELVWGIL-ZCFIWIBFSA-N 0 3 253.262 -1.625 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001266948401 775188362 /nfs/dbraw/zinc/18/83/62/775188362.db2.gz DWFKEVIYTVXSPP-QMMMGPOBSA-N 0 3 272.349 -1.272 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](C)NCC(N)=O)n1C ZINC001266963489 775189382 /nfs/dbraw/zinc/18/93/82/775189382.db2.gz AYQVFYUAZKUKCY-ZETCQYMHSA-N 0 3 253.306 -1.078 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001266963210 775189564 /nfs/dbraw/zinc/18/95/64/775189564.db2.gz BJZBVMYJGUKRRY-ZETCQYMHSA-N 0 3 269.309 -1.946 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001266991996 775190938 /nfs/dbraw/zinc/19/09/38/775190938.db2.gz XGAWAWVIYNFRGP-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN COc1ncc(C(=O)NC[C@H](C)NCC(N)=O)cn1 ZINC001266982998 775190993 /nfs/dbraw/zinc/19/09/93/775190993.db2.gz GQSOHOQVTRZIQT-ZETCQYMHSA-N 0 3 267.289 -1.322 20 0 CAADHN COc1ncc(C(=O)NC[C@@H](C)NCC(N)=O)cn1 ZINC001266982993 775191215 /nfs/dbraw/zinc/19/12/15/775191215.db2.gz GQSOHOQVTRZIQT-SSDOTTSWSA-N 0 3 267.289 -1.322 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001266972358 775191281 /nfs/dbraw/zinc/19/12/81/775191281.db2.gz AJOKEMBYBVPVIG-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](C)NCC(=O)N(C)C)CC1 ZINC001266977636 775191760 /nfs/dbraw/zinc/19/17/60/775191760.db2.gz BFLPWTGCCVEKJG-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNC(=O)c1ncn[nH]1)NCc1cn(C)nn1 ZINC001266979635 775191894 /nfs/dbraw/zinc/19/18/94/775191894.db2.gz JEOWVEZQBFXURY-ZETCQYMHSA-N 0 3 264.293 -1.159 20 0 CAADHN C[C@@H](CNC(=O)c1nc[nH]n1)NCc1cn(C)nn1 ZINC001266979635 775191898 /nfs/dbraw/zinc/19/18/98/775191898.db2.gz JEOWVEZQBFXURY-ZETCQYMHSA-N 0 3 264.293 -1.159 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001266985682 775191943 /nfs/dbraw/zinc/19/19/43/775191943.db2.gz OWALTJKYQHPBCT-SFYZADRCSA-N 0 3 256.306 -1.895 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)NCC(=O)N(C)C ZINC001266991760 775192069 /nfs/dbraw/zinc/19/20/69/775192069.db2.gz RCEHJPXLLLFYBD-VIFPVBQESA-N 0 3 268.321 -1.539 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001266991995 775192209 /nfs/dbraw/zinc/19/22/09/775192209.db2.gz XGAWAWVIYNFRGP-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)NCC(N)=O ZINC001266999010 775193663 /nfs/dbraw/zinc/19/36/63/775193663.db2.gz RDLHLIKTWWEZAD-NKWVEPMBSA-N 0 3 270.289 -2.381 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)N[C@@H]1CCC(=O)NC1=O ZINC001266991598 775194051 /nfs/dbraw/zinc/19/40/51/775194051.db2.gz NOVHCXNXDCYFCL-DTWKUNHWSA-N 0 3 294.315 -1.822 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H](C(=O)NCCNCCF)C1 ZINC001267002969 775194088 /nfs/dbraw/zinc/19/40/88/775194088.db2.gz WZNMAIOOLOYBGQ-VIFPVBQESA-N 0 3 288.323 -1.614 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@H](C)C(=O)NC(N)=O)n[nH]1 ZINC001125561535 775195451 /nfs/dbraw/zinc/19/54/51/775195451.db2.gz FAFQPLORNAAVKD-MRVPVSSYSA-N 0 3 296.331 -1.450 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@H](C)C(=O)NC(N)=O)[nH]n1 ZINC001125561535 775195458 /nfs/dbraw/zinc/19/54/58/775195458.db2.gz FAFQPLORNAAVKD-MRVPVSSYSA-N 0 3 296.331 -1.450 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)Cn1cncn1 ZINC001267040668 775196904 /nfs/dbraw/zinc/19/69/04/775196904.db2.gz SUYBHIPSMNPDTC-VIFPVBQESA-N 0 3 294.315 -1.869 20 0 CAADHN CCN(C)C(=O)CNCCN(C)C(=O)Cn1cncn1 ZINC001267040124 775196991 /nfs/dbraw/zinc/19/69/91/775196991.db2.gz FJCAWVOAWDOYIH-UHFFFAOYSA-N 0 3 282.348 -1.196 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)Cn1cncn1 ZINC001267040631 775197116 /nfs/dbraw/zinc/19/71/16/775197116.db2.gz RGHYHDPKZUGMOS-SECBINFHSA-N 0 3 268.321 -1.539 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CN1C(=O)CCC1=O ZINC001267051595 775197251 /nfs/dbraw/zinc/19/72/51/775197251.db2.gz QHSZDSLTOWQHAN-SECBINFHSA-N 0 3 298.343 -1.682 20 0 CAADHN NC(=O)NCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001207259091 775197847 /nfs/dbraw/zinc/19/78/47/775197847.db2.gz WYPAKLGLDRPWEX-IUCAKERBSA-N 0 3 283.332 -1.876 20 0 CAADHN CC(C)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114990131 775198534 /nfs/dbraw/zinc/19/85/34/775198534.db2.gz YYCIOEIAQGZISS-JZYVYDRUSA-N 0 3 292.343 -1.011 20 0 CAADHN CC(C)NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC001114990131 775198542 /nfs/dbraw/zinc/19/85/42/775198542.db2.gz YYCIOEIAQGZISS-JZYVYDRUSA-N 0 3 292.343 -1.011 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001267081804 775200192 /nfs/dbraw/zinc/20/01/92/775200192.db2.gz UIGRUZRDCOBRJX-UHFFFAOYSA-N 0 3 295.343 -1.089 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207268076 775200261 /nfs/dbraw/zinc/20/02/61/775200261.db2.gz RCRHLCQJPFSGGO-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)CNC(N)=O)C1)C(=O)N(C)C ZINC001207268575 775200265 /nfs/dbraw/zinc/20/02/65/775200265.db2.gz VHTUROYSKVUYNX-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CN[C@@H]2CCN(C)C2=O)C1 ZINC001087207783 775201612 /nfs/dbraw/zinc/20/16/12/775201612.db2.gz WWJWISFALWMXJK-OUAUKWLOSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CN[C@H]2CCNC2=O)C1 ZINC001087207144 775201988 /nfs/dbraw/zinc/20/19/88/775201988.db2.gz RKMOLBJKPDMMJW-UTLUCORTSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc[nH]c(=O)c1 ZINC001125605127 775203194 /nfs/dbraw/zinc/20/31/94/775203194.db2.gz NEBRTZWLMAUSTB-UHFFFAOYSA-N 0 3 252.274 -1.147 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cc[nH]c(=O)c1 ZINC001125605072 775203756 /nfs/dbraw/zinc/20/37/56/775203756.db2.gz KXLNGTAGSWGVJO-UHFFFAOYSA-N 0 3 295.299 -1.438 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125615486 775205187 /nfs/dbraw/zinc/20/51/87/775205187.db2.gz KZYVOENHORZDGA-SSDOTTSWSA-N 0 3 285.304 -2.587 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@@H]1CC(=O)NC1=O)C(N)=O ZINC001267158779 775205556 /nfs/dbraw/zinc/20/55/56/775205556.db2.gz JUZRRAUPZZTJMS-SFYZADRCSA-N 0 3 284.316 -2.039 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125615341 775205579 /nfs/dbraw/zinc/20/55/79/775205579.db2.gz HGCGFPGYMHJSNG-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCNC(=O)C1)C(N)=O ZINC001125624626 775207110 /nfs/dbraw/zinc/20/71/10/775207110.db2.gz DYYQAOJLIWYJLM-JGVFFNPUSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCNC(=O)C1)C(=O)NC1CC1 ZINC001125624372 775207161 /nfs/dbraw/zinc/20/71/61/775207161.db2.gz AAAMOPOEYCELIP-NXEZZACHSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCNC(=O)C1)C(N)=O ZINC001125624629 775207652 /nfs/dbraw/zinc/20/76/52/775207652.db2.gz DYYQAOJLIWYJLM-SFYZADRCSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCNC(=O)C1)C(N)=O ZINC001125624620 775207851 /nfs/dbraw/zinc/20/78/51/775207851.db2.gz DYYQAOJLIWYJLM-HTQZYQBOSA-N 0 3 256.306 -1.908 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC(=O)C1)NCC1CC1 ZINC001125616123 775208417 /nfs/dbraw/zinc/20/84/17/775208417.db2.gz ZZROVIXIYHNABI-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCNC(=O)C1)C(=O)NC1CC1 ZINC001125624381 775208775 /nfs/dbraw/zinc/20/87/75/775208775.db2.gz AAAMOPOEYCELIP-ZJUUUORDSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCNC(=O)C1)C(=O)NC(N)=O ZINC001125624431 775208860 /nfs/dbraw/zinc/20/88/60/775208860.db2.gz BPEPJUIHGZEXCT-HTQZYQBOSA-N 0 3 299.331 -2.198 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2CCNC(=O)C2)C1=O ZINC001125629908 775209512 /nfs/dbraw/zinc/20/95/12/775209512.db2.gz BBSGLGSXHQZMEQ-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCNC(=O)C1 ZINC001125630744 775209677 /nfs/dbraw/zinc/20/96/77/775209677.db2.gz LUNXMJUSJWPKFO-IUCAKERBSA-N 0 3 268.317 -1.893 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CCNC(=O)C1 ZINC001125630739 775209876 /nfs/dbraw/zinc/20/98/76/775209876.db2.gz LUKPJBSTAIYVEX-UWVGGRQHSA-N 0 3 282.344 -1.503 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CCNC(=O)C1 ZINC001125630741 775211179 /nfs/dbraw/zinc/21/11/79/775211179.db2.gz LUKPJBSTAIYVEX-ZJUUUORDSA-N 0 3 282.344 -1.503 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1CCCNC1=O ZINC001267201048 775212915 /nfs/dbraw/zinc/21/29/15/775212915.db2.gz VEXGFXCKMVBONV-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN CN(CCCO)CCNC(=O)[C@H]1CCCNC1=O ZINC001267201022 775213181 /nfs/dbraw/zinc/21/31/81/775213181.db2.gz UYRNDDAPKUCRPA-JTQLQIEISA-N 0 3 257.334 -1.057 20 0 CAADHN CN(CCCO)CCNC(=O)[C@]1(C)CCNC1=O ZINC001267217996 775215852 /nfs/dbraw/zinc/21/58/52/775215852.db2.gz VDXXECBBZCSFPR-GFCCVEGCSA-N 0 3 257.334 -1.057 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCNC(=O)Cc1nnc[nH]1 ZINC001267224877 775217710 /nfs/dbraw/zinc/21/77/10/775217710.db2.gz MDRSZKUKHALDGQ-MRVPVSSYSA-N 0 3 268.321 -1.341 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCNC(=O)Cc1nnc[nH]1 ZINC001267224879 775217768 /nfs/dbraw/zinc/21/77/68/775217768.db2.gz MDRSZKUKHALDGQ-QMMMGPOBSA-N 0 3 268.321 -1.341 20 0 CAADHN CCN(CCNC(=O)CNC(=O)NC)CCOC ZINC001267242421 775220405 /nfs/dbraw/zinc/22/04/05/775220405.db2.gz KKFVPZGEFGNJRU-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cn(C)cn1 ZINC001125681011 775222563 /nfs/dbraw/zinc/22/25/63/775222563.db2.gz NXPJPUXJLPCMMN-UHFFFAOYSA-N 0 3 253.306 -1.172 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)c1 ZINC001125681158 775222639 /nfs/dbraw/zinc/22/26/39/775222639.db2.gz PPVORNOQTRNAJA-QMMMGPOBSA-N 0 3 279.300 -1.455 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@@H]2CCN(C)C2=O)c1 ZINC001125670977 775222757 /nfs/dbraw/zinc/22/27/57/775222757.db2.gz DADKCPHDJMDVJI-SECBINFHSA-N 0 3 265.317 -1.030 20 0 CAADHN COC[C@H](O)CN1CCC[C@H]1CNC(=O)C(N)=O ZINC001267273984 775223070 /nfs/dbraw/zinc/22/30/70/775223070.db2.gz JCCDYQQDIPOMGZ-DTWKUNHWSA-N 0 3 259.306 -1.940 20 0 CAADHN Cn1cnc(C(=O)NCCNCCNS(C)(=O)=O)c1 ZINC001125671244 775223084 /nfs/dbraw/zinc/22/30/84/775223084.db2.gz LBPMTXLTZGLLND-UHFFFAOYSA-N 0 3 289.361 -1.711 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)c1 ZINC001125681157 775223406 /nfs/dbraw/zinc/22/34/06/775223406.db2.gz PPVORNOQTRNAJA-MRVPVSSYSA-N 0 3 279.300 -1.455 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H]1COC(=O)C1 ZINC001125675783 775223706 /nfs/dbraw/zinc/22/37/06/775223706.db2.gz GRFFBHJUXCNBFC-MRVPVSSYSA-N 0 3 257.290 -1.609 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1cn(C)cn1 ZINC001125676387 775223784 /nfs/dbraw/zinc/22/37/84/775223784.db2.gz RIHHQBMEYGKVPA-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN O=C(C[C@H]1COC(=O)C1)NCCNCC(=O)N1CCC1 ZINC001125676355 775223822 /nfs/dbraw/zinc/22/38/22/775223822.db2.gz QGNHNZLVUJAEFB-SNVBAGLBSA-N 0 3 283.328 -1.122 20 0 CAADHN O=C(NC[C@H]1CCCN1CCOCCO)[C@H]1CCNC1=O ZINC001267271914 775224128 /nfs/dbraw/zinc/22/41/28/775224128.db2.gz FPKNNSILYFTIBZ-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@@H]2CCNC2=O)c1 ZINC001125680981 775224244 /nfs/dbraw/zinc/22/42/44/775224244.db2.gz MYHIPFAVFBRRMI-MRVPVSSYSA-N 0 3 251.290 -1.372 20 0 CAADHN O=C(C[C@@H]1COC(=O)C1)NCCN[C@@H]1CCCNC1=O ZINC001125687468 775224974 /nfs/dbraw/zinc/22/49/74/775224974.db2.gz CXFIPVJPLAURRQ-VHSXEESVSA-N 0 3 283.328 -1.076 20 0 CAADHN O=C(C[C@@H]1COC(=O)C1)NCCN[C@H]1CCC(=O)NC1=O ZINC001125688703 775225288 /nfs/dbraw/zinc/22/52/88/775225288.db2.gz XQRIBTZHRQXCCJ-IUCAKERBSA-N 0 3 297.311 -1.549 20 0 CAADHN O=C(CNCCNC(=O)C[C@@H]1COC(=O)C1)NC1CC1 ZINC001125687930 775225467 /nfs/dbraw/zinc/22/54/67/775225467.db2.gz NDZUSSKPQVXRQH-VIFPVBQESA-N 0 3 283.328 -1.076 20 0 CAADHN COc1ccc(CNC2CC(CNC(=O)C(N)=O)C2)nn1 ZINC001100627194 775225984 /nfs/dbraw/zinc/22/59/84/775225984.db2.gz YRBHLJQPELZGDO-UHFFFAOYSA-N 0 3 293.327 -1.045 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125687436 775226128 /nfs/dbraw/zinc/22/61/28/775226128.db2.gz CKRYDQFXXCBGPH-VIFPVBQESA-N 0 3 271.317 -1.266 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cn(C)cn1 ZINC001125688243 775226224 /nfs/dbraw/zinc/22/62/24/775226224.db2.gz UFYOTKMPLPIBJA-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN O=S(=O)(NCCCN1CCOCC1)C1CNC1 ZINC000405115369 775227271 /nfs/dbraw/zinc/22/72/71/775227271.db2.gz WIVYUIWRBUHTPU-UHFFFAOYSA-N 0 3 263.363 -1.400 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1COC(=O)C1)C(N)=O ZINC001125688784 775227591 /nfs/dbraw/zinc/22/75/91/775227591.db2.gz ZXNAPJCIILWNAC-HTQZYQBOSA-N 0 3 257.290 -1.481 20 0 CAADHN CCCC(=O)N(CCO)CCNCC(=O)NC(N)=O ZINC001279638947 775228073 /nfs/dbraw/zinc/22/80/73/775228073.db2.gz FEJGSDXIHFWFKD-UHFFFAOYSA-N 0 3 274.321 -1.608 20 0 CAADHN CCCN(CCNC(=O)C(N)=O)C[C@H](O)COC ZINC001267317246 775229730 /nfs/dbraw/zinc/22/97/30/775229730.db2.gz SRAWTXWOSLSYKW-VIFPVBQESA-N 0 3 261.322 -1.693 20 0 CAADHN CCCN(CCNC(=O)C(N)=O)CCn1cncn1 ZINC001267316860 775229947 /nfs/dbraw/zinc/22/99/47/775229947.db2.gz FQMMLVRGRMUWAV-UHFFFAOYSA-N 0 3 268.321 -1.408 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@@H]2COC(=O)C2)C1=O ZINC001125695772 775230014 /nfs/dbraw/zinc/23/00/14/775230014.db2.gz PEIIUHARLQPOSD-VHSXEESVSA-N 0 3 283.328 -1.124 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@H]2COC(=O)C2)C1=O ZINC001125695769 775230135 /nfs/dbraw/zinc/23/01/35/775230135.db2.gz PEIIUHARLQPOSD-NXEZZACHSA-N 0 3 283.328 -1.124 20 0 CAADHN CCCN(CCNC(=O)C(N)=O)C[C@@H](O)COC ZINC001267317245 775230179 /nfs/dbraw/zinc/23/01/79/775230179.db2.gz SRAWTXWOSLSYKW-SECBINFHSA-N 0 3 261.322 -1.693 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1COC(=O)C1 ZINC001125694896 775230443 /nfs/dbraw/zinc/23/04/43/775230443.db2.gz IQJFWQWSGMUPKT-RKDXNWHRSA-N 0 3 271.317 -1.220 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@@H]1COC(=O)C1)C(N)=O ZINC001125697038 775230623 /nfs/dbraw/zinc/23/06/23/775230623.db2.gz YFDFJLLKEZBHFW-DTWKUNHWSA-N 0 3 271.317 -1.091 20 0 CAADHN COC[C@H](O)CN(CCNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001267330593 775230802 /nfs/dbraw/zinc/23/08/02/775230802.db2.gz FJHGMZSHZGOLSN-NEPJUHHUSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C1CC1)N(C)C(=O)C(N)=O ZINC001283532133 775230898 /nfs/dbraw/zinc/23/08/98/775230898.db2.gz KDEUCKQUYVWHRV-VXNVDRBHSA-N 0 3 270.333 -1.567 20 0 CAADHN C[C@H](C(=O)N(CCO)CCNCC(N)=O)n1cccn1 ZINC001279660177 775231758 /nfs/dbraw/zinc/23/17/58/775231758.db2.gz GCSAAFDDZGWNQF-SNVBAGLBSA-N 0 3 283.332 -1.660 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)Cn1cnnn1 ZINC001267344158 775231830 /nfs/dbraw/zinc/23/18/30/775231830.db2.gz QKFMVRGMAQZJTC-MRVPVSSYSA-N 0 3 295.303 -2.474 20 0 CAADHN COCC(=O)N(C)CCNCc1cc(=O)n(C)c(=O)n1C ZINC001267339249 775232298 /nfs/dbraw/zinc/23/22/98/775232298.db2.gz ZIQMAWAEGZQMKD-UHFFFAOYSA-N 0 3 298.343 -1.722 20 0 CAADHN Cc1c(C(=O)N(C)CCNCC(N)=O)cnn1C ZINC001267347037 775232543 /nfs/dbraw/zinc/23/25/43/775232543.db2.gz HRMSEYBYRBEKFM-UHFFFAOYSA-N 0 3 253.306 -1.125 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)Cn1cnnn1 ZINC001267344160 775233216 /nfs/dbraw/zinc/23/32/16/775233216.db2.gz QLGURYPHRWEDGD-UHFFFAOYSA-N 0 3 269.309 -2.191 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1cccn1)C(N)=O ZINC001267347005 775233243 /nfs/dbraw/zinc/23/32/43/775233243.db2.gz GRRXQNBETKYOIH-VIFPVBQESA-N 0 3 253.306 -1.195 20 0 CAADHN CC(C)N(CCCNC(=O)[C@@H]1CCC(=O)N1)CC(N)=O ZINC001267334238 775233365 /nfs/dbraw/zinc/23/33/65/775233365.db2.gz CPZZVBLIQKVWBL-JTQLQIEISA-N 0 3 284.360 -1.033 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)[C@H]1CCC(=O)N1 ZINC001267354213 775233396 /nfs/dbraw/zinc/23/33/96/775233396.db2.gz FNWCZBLAKUNWQJ-SNVBAGLBSA-N 0 3 282.344 -1.455 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1COCCO1 ZINC001279660175 775233414 /nfs/dbraw/zinc/23/34/14/775233414.db2.gz FUFRIVGBZPOPTI-SNVBAGLBSA-N 0 3 289.332 -2.442 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1cnnn1C ZINC001267366969 775233893 /nfs/dbraw/zinc/23/38/93/775233893.db2.gz RVYGHUXSWWRZOF-UHFFFAOYSA-N 0 3 283.292 -2.328 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001267362632 775233909 /nfs/dbraw/zinc/23/39/09/775233909.db2.gz LHSIXEGKDSWDDY-MRVPVSSYSA-N 0 3 299.331 -2.245 20 0 CAADHN CN(CCNCC(=O)N(C)C1CC1)C(=O)[C@@H]1COC(=O)N1 ZINC001267367958 775234134 /nfs/dbraw/zinc/23/41/34/775234134.db2.gz PWJSHJSPQUXBGM-JTQLQIEISA-N 0 3 298.343 -1.236 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@H]1CCOC1 ZINC001267353608 775234145 /nfs/dbraw/zinc/23/41/45/775234145.db2.gz UWITVIITJXFBJA-QMMMGPOBSA-N 0 3 272.305 -1.734 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)CC2(CCN(CCO)CC2)O1 ZINC001098578587 775234461 /nfs/dbraw/zinc/23/44/61/775234461.db2.gz YNJQRSONSBOJMQ-NSHDSACASA-N 0 3 299.371 -1.064 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H](C)n1cncn1 ZINC001267365414 775234479 /nfs/dbraw/zinc/23/44/79/775234479.db2.gz XCNGFERRSGIWKG-SECBINFHSA-N 0 3 268.321 -1.367 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)c1ccon1 ZINC001279666060 775234624 /nfs/dbraw/zinc/23/46/24/775234624.db2.gz CSEGNMBOSGVMAF-UHFFFAOYSA-N 0 3 284.316 -1.165 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H]1CCOC1 ZINC001279666370 775234669 /nfs/dbraw/zinc/23/46/69/775234669.db2.gz HAYMGAJKLMPUSM-SNVBAGLBSA-N 0 3 273.333 -1.821 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001267354868 775234949 /nfs/dbraw/zinc/23/49/49/775234949.db2.gz AQUNNEKGYKVOOJ-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN Cc1ccnc(C(=O)N(C)CCNCC(=O)NC(N)=O)n1 ZINC001267367010 775234987 /nfs/dbraw/zinc/23/49/87/775234987.db2.gz TYVOHGWUGBFCBT-UHFFFAOYSA-N 0 3 294.315 -1.358 20 0 CAADHN CCNC(=O)CC(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001267364230 775235314 /nfs/dbraw/zinc/23/53/14/775235314.db2.gz WVKGVSFYYYGJHF-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)[C@H](O)C(C)C ZINC001267367859 775235434 /nfs/dbraw/zinc/23/54/34/775235434.db2.gz LRZSULXRQLXKCA-SNVBAGLBSA-N 0 3 288.348 -1.493 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001267367797 775235954 /nfs/dbraw/zinc/23/59/54/775235954.db2.gz JPPWKESMHXHJDS-GXSJLCMTSA-N 0 3 285.344 -1.144 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001267375677 775236493 /nfs/dbraw/zinc/23/64/93/775236493.db2.gz QNUHNLNXGCDWLT-UHFFFAOYSA-N 0 3 297.363 -1.164 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1ccon1 ZINC001279667880 775236995 /nfs/dbraw/zinc/23/69/95/775236995.db2.gz TZQHUXNPEYTHBT-UHFFFAOYSA-N 0 3 270.289 -1.555 20 0 CAADHN CN(CCNCC(=O)N(C)C1CC1)C(=O)[C@H]1COC(=O)N1 ZINC001267367959 775237204 /nfs/dbraw/zinc/23/72/04/775237204.db2.gz PWJSHJSPQUXBGM-SNVBAGLBSA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCCO1 ZINC001125718890 775239694 /nfs/dbraw/zinc/23/96/94/775239694.db2.gz VIFZRHSMPYRCAE-VIFPVBQESA-N 0 3 286.332 -1.283 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCc2nncn2CC1 ZINC001267405745 775240579 /nfs/dbraw/zinc/24/05/79/775240579.db2.gz VKJSZYATQYXIFF-SNVBAGLBSA-N 0 3 294.359 -1.236 20 0 CAADHN Cc1cc(C(=O)NCCNCC(=O)NC(N)=O)ncn1 ZINC001125761462 775240629 /nfs/dbraw/zinc/24/06/29/775240629.db2.gz KNYBBJDHYISKHB-UHFFFAOYSA-N 0 3 280.288 -1.701 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC(N)=O)n1cccc1 ZINC001125758520 775240685 /nfs/dbraw/zinc/24/06/85/775240685.db2.gz WHMFSZSOHOVVKX-SECBINFHSA-N 0 3 281.316 -1.050 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)C(=O)NCC(F)F)C(N)=O ZINC001267393760 775240794 /nfs/dbraw/zinc/24/07/94/775240794.db2.gz RRJQVWSKUGCDTA-SSDOTTSWSA-N 0 3 294.302 -1.320 20 0 CAADHN CN(CCCN(C)C(=O)C(N)=O)C(=O)CN1CCCC1 ZINC001067465664 775241043 /nfs/dbraw/zinc/24/10/43/775241043.db2.gz DGAVZVVENLZAQC-UHFFFAOYSA-N 0 3 284.360 -1.126 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001267412720 775241355 /nfs/dbraw/zinc/24/13/55/775241355.db2.gz QMTSOGGCHXQRSJ-DTWKUNHWSA-N 0 3 270.333 -1.708 20 0 CAADHN CN(CCNCc1nnn(C)n1)C(=O)[C@H]1CCCN1C ZINC001267414364 775241234 /nfs/dbraw/zinc/24/12/34/775241234.db2.gz DUUXETWDFFMRPS-SNVBAGLBSA-N 0 3 281.364 -1.148 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001267414447 775241319 /nfs/dbraw/zinc/24/13/19/775241319.db2.gz HGFDDPISMBCRLQ-VIFPVBQESA-N 0 3 285.348 -1.806 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cc(C)ncn1 ZINC001125762277 775241435 /nfs/dbraw/zinc/24/14/35/775241435.db2.gz PSMNQBYVCGDBJD-UHFFFAOYSA-N 0 3 294.315 -1.440 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCc2nncn2CC1 ZINC001267405744 775241449 /nfs/dbraw/zinc/24/14/49/775241449.db2.gz VKJSZYATQYXIFF-JTQLQIEISA-N 0 3 294.359 -1.236 20 0 CAADHN CN(CCNCC(N)=O)C(=O)Cn1ncn(C)c1=O ZINC001267394080 775241701 /nfs/dbraw/zinc/24/17/01/775241701.db2.gz CVLBNWHPVZIBNM-UHFFFAOYSA-N 0 3 270.293 -2.885 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1ccc(C(N)=O)o1 ZINC001267400136 775241782 /nfs/dbraw/zinc/24/17/82/775241782.db2.gz BXTWTEJXQOWNEE-UHFFFAOYSA-N 0 3 268.273 -1.475 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)C1(C(N)=O)CC1 ZINC001267421985 775242582 /nfs/dbraw/zinc/24/25/82/775242582.db2.gz XWHWMMPIEAQQKL-VIFPVBQESA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1nnn(C)n1 ZINC001267415180 775243369 /nfs/dbraw/zinc/24/33/69/775243369.db2.gz BYGPGNVSAFMGER-SSDOTTSWSA-N 0 3 269.309 -1.994 20 0 CAADHN CN(CCNCCN(C)S(C)(=O)=O)C(=O)C(N)=O ZINC001267421921 775243425 /nfs/dbraw/zinc/24/34/25/775243425.db2.gz VISCDSMXEQACIV-UHFFFAOYSA-N 0 3 280.350 -2.589 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@]1(F)CCOC1 ZINC001267418218 775243491 /nfs/dbraw/zinc/24/34/91/775243491.db2.gz BXLGLATXISGPBU-LLVKDONJSA-N 0 3 261.297 -1.091 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1CCN(C)C1=O)C(N)=O ZINC001267417227 775243835 /nfs/dbraw/zinc/24/38/35/775243835.db2.gz RWXGBPHEAOYWRV-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H]2CCNC2=O)ncn1 ZINC001125762332 775243857 /nfs/dbraw/zinc/24/38/57/775243857.db2.gz SAHPYMIVGIHNRG-VIFPVBQESA-N 0 3 263.301 -1.007 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001267419707 775243968 /nfs/dbraw/zinc/24/39/68/775243968.db2.gz WDSJIRFVXRRCAJ-SECBINFHSA-N 0 3 294.359 -1.547 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1nnn(C)n1 ZINC001267415181 775244059 /nfs/dbraw/zinc/24/40/59/775244059.db2.gz BYGPGNVSAFMGER-ZETCQYMHSA-N 0 3 269.309 -1.994 20 0 CAADHN CN(CCNCCF)C(=O)CN1CC(=O)N(C)C1=O ZINC001267455973 775245289 /nfs/dbraw/zinc/24/52/89/775245289.db2.gz IOZDABDSJKVPGJ-UHFFFAOYSA-N 0 3 274.296 -1.102 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1nc[nH]n1 ZINC001267441533 775245434 /nfs/dbraw/zinc/24/54/34/775245434.db2.gz DCBZLQWUXJFVIN-SSDOTTSWSA-N 0 3 252.278 -1.645 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001267457249 775245524 /nfs/dbraw/zinc/24/55/24/775245524.db2.gz DXUZXRXNAKUUNK-ZETCQYMHSA-N 0 3 285.304 -2.492 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1ccc2nncn2c1 ZINC001267440720 775245619 /nfs/dbraw/zinc/24/56/19/775245619.db2.gz XOIAEMQNUHIBER-UHFFFAOYSA-N 0 3 276.300 -1.124 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cccn(C)c1=O ZINC001267457490 775245801 /nfs/dbraw/zinc/24/58/01/775245801.db2.gz ILJKXEOFBOTPSW-UHFFFAOYSA-N 0 3 266.301 -1.468 20 0 CAADHN C[C@@H]1OCC[C@@H]1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001267445518 775245931 /nfs/dbraw/zinc/24/59/31/775245931.db2.gz CEVQZZXSAJFXSY-IUCAKERBSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@@H]1OCC[C@H]1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001267445517 775245988 /nfs/dbraw/zinc/24/59/88/775245988.db2.gz CEVQZZXSAJFXSY-DTWKUNHWSA-N 0 3 286.332 -1.346 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)Cn1cncn1 ZINC001267465299 775247457 /nfs/dbraw/zinc/24/74/57/775247457.db2.gz GUBXJBMHWGCVGT-UHFFFAOYSA-N 0 3 268.321 -1.586 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCN[C@H]2CCNC2=O)CCC1 ZINC001267459478 775247671 /nfs/dbraw/zinc/24/76/71/775247671.db2.gz VBFFBAODCJXVPQ-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)C[NH2+]CC1(CCNC(=O)Cc2nnc[n-]2)CC1 ZINC001167685337 775247789 /nfs/dbraw/zinc/24/77/89/775247789.db2.gz IDASZSXTCOLJOY-UHFFFAOYSA-N 0 3 280.332 -1.291 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cn1ccccc1=O ZINC001267468472 775248807 /nfs/dbraw/zinc/24/88/07/775248807.db2.gz VWPNIGCIEDWSMU-UHFFFAOYSA-N 0 3 280.328 -1.358 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001267478584 775248944 /nfs/dbraw/zinc/24/89/44/775248944.db2.gz SXIMWJHGVDZRIA-BDAKNGLRSA-N 0 3 296.327 -2.024 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001267480763 775249397 /nfs/dbraw/zinc/24/93/97/775249397.db2.gz RFXDNLFQUYJPQC-QMMMGPOBSA-N 0 3 284.316 -2.167 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001267478624 775249595 /nfs/dbraw/zinc/24/95/95/775249595.db2.gz SXIMWJHGVDZRIA-IUCAKERBSA-N 0 3 296.327 -2.024 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN1C(=O)CN(C)C1=O)C(N)=O ZINC001267467086 775250146 /nfs/dbraw/zinc/25/01/46/775250146.db2.gz XVLACDAJKSFGJK-QMMMGPOBSA-N 0 3 299.331 -2.198 20 0 CAADHN CC(C)N(CCCNC(=O)c1nnn(C)n1)CC(N)=O ZINC001267505652 775251593 /nfs/dbraw/zinc/25/15/93/775251593.db2.gz GEYCCUBSBIAPBK-UHFFFAOYSA-N 0 3 283.336 -1.474 20 0 CAADHN CCNC(=O)CN1CC[C@@H](CCNC(=O)CC(N)=O)C1 ZINC001267513605 775252278 /nfs/dbraw/zinc/25/22/78/775252278.db2.gz MFCKHBISOFCKGA-SNVBAGLBSA-N 0 3 284.360 -1.174 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1ccncc1F ZINC001279680331 775252347 /nfs/dbraw/zinc/25/23/47/775252347.db2.gz NQPGHYVUYRRMJM-UHFFFAOYSA-N 0 3 284.291 -1.270 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)C1=CCOCC1 ZINC001279695442 775253912 /nfs/dbraw/zinc/25/39/12/775253912.db2.gz PCFTUJIBAAZUGG-UHFFFAOYSA-N 0 3 299.371 -1.120 20 0 CAADHN CC(C)(O)CC(=O)N(CCO)CCNCC(N)=O ZINC001279705026 775255922 /nfs/dbraw/zinc/25/59/22/775255922.db2.gz JQPNIZLOMFZPLX-UHFFFAOYSA-N 0 3 261.322 -1.957 20 0 CAADHN O=C(CNC[C@H](O)CN1CCOCC1)NCC(F)(F)F ZINC000393700412 775257708 /nfs/dbraw/zinc/25/77/08/775257708.db2.gz KWLBECIYSSLLIQ-VIFPVBQESA-N 0 3 299.293 -1.052 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CCOC1 ZINC001220020679 775293664 /nfs/dbraw/zinc/29/36/64/775293664.db2.gz RFDTVEQVJTVGFL-RKDXNWHRSA-N 0 3 258.322 -1.085 20 0 CAADHN Cc1nc[nH]c1CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001149135043 775260033 /nfs/dbraw/zinc/26/00/33/775260033.db2.gz NUYAFXRKLUOTQI-QMMMGPOBSA-N 0 3 296.331 -1.450 20 0 CAADHN CN(CC(=O)N1CCC1)CC1CCN(C(=O)C(N)=O)CC1 ZINC001267603680 775260759 /nfs/dbraw/zinc/26/07/59/775260759.db2.gz WQQGIIXGWXDRHN-UHFFFAOYSA-N 0 3 296.371 -1.126 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001207441284 775263757 /nfs/dbraw/zinc/26/37/57/775263757.db2.gz OVONLWWYFJZOOW-ONGXEEELSA-N 0 3 284.360 -1.081 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058638697 775263853 /nfs/dbraw/zinc/26/38/53/775263853.db2.gz DMVMWMHYVFLEDF-UHFFFAOYSA-N 0 3 297.315 -2.317 20 0 CAADHN CC(C)N(C)CC(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058643457 775269993 /nfs/dbraw/zinc/26/99/93/775269993.db2.gz QUYZDQWFUPQUTJ-UHFFFAOYSA-N 0 3 288.348 -2.251 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001267639201 775276420 /nfs/dbraw/zinc/27/64/20/775276420.db2.gz ZVYLZLFKCWYOER-BDAKNGLRSA-N 0 3 270.333 -1.484 20 0 CAADHN CC(C)[C@@H](C(=O)NC1CN(CC(N)=O)C1)N(C)C ZINC001267648779 775278121 /nfs/dbraw/zinc/27/81/21/775278121.db2.gz DCHXUKUKYKOXAF-NSHDSACASA-N 0 3 256.350 -1.142 20 0 CAADHN C[C@@H](C(=O)NC(N)=O)N(C)C[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001267681895 775283704 /nfs/dbraw/zinc/28/37/04/775283704.db2.gz BRTBTYJYLFUQNI-JGVFFNPUSA-N 0 3 299.331 -2.165 20 0 CAADHN CCNC(=O)CC(=O)NCC1CN(C[C@H](O)COC)C1 ZINC001267679171 775284302 /nfs/dbraw/zinc/28/43/02/775284302.db2.gz LISLYMYTDQSWNE-NSHDSACASA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCC1CN(CCCO)C1 ZINC001267687514 775285082 /nfs/dbraw/zinc/28/50/82/775285082.db2.gz GNJPSTXDRRQSSQ-SECBINFHSA-N 0 3 257.334 -1.072 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001267687350 775285380 /nfs/dbraw/zinc/28/53/80/775285380.db2.gz CHNFFOGUFXMTMB-MNOVXSKESA-N 0 3 285.344 -1.822 20 0 CAADHN NC(=O)C1(C(=O)NCC2CN(CCCO)C2)CC1 ZINC001267691817 775285676 /nfs/dbraw/zinc/28/56/76/775285676.db2.gz VTYVMRBTXZCNGF-UHFFFAOYSA-N 0 3 255.318 -1.318 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001267687349 775286049 /nfs/dbraw/zinc/28/60/49/775286049.db2.gz CHNFFOGUFXMTMB-GHMZBOCLSA-N 0 3 285.344 -1.822 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cn[nH]n1 ZINC001279753256 775287393 /nfs/dbraw/zinc/28/73/93/775287393.db2.gz DSPUIKFDHOOVAJ-UHFFFAOYSA-N 0 3 270.293 -2.425 20 0 CAADHN O=C(CN1C(=O)CCC1=O)NCC1CN(CCCO)C1 ZINC001267698229 775287413 /nfs/dbraw/zinc/28/74/13/775287413.db2.gz ACJJYNMCJRDODY-UHFFFAOYSA-N 0 3 283.328 -1.434 20 0 CAADHN CNC(=O)C1(C(=O)NCC2CN(CCCO)C2)CC1 ZINC001267694485 775287478 /nfs/dbraw/zinc/28/74/78/775287478.db2.gz LQMPMAXVLRIELQ-UHFFFAOYSA-N 0 3 269.345 -1.057 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)C(=O)NCC2CC2)C1 ZINC001267694671 775287588 /nfs/dbraw/zinc/28/75/88/775287588.db2.gz HCSRXXLKCPAXOP-LBPRGKRZSA-N 0 3 299.371 -1.432 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267698341 775288147 /nfs/dbraw/zinc/28/81/47/775288147.db2.gz FBTRVCXTCPFWRK-WPRPVWTQSA-N 0 3 298.343 -1.597 20 0 CAADHN Cn1cccc1CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219699157 775292493 /nfs/dbraw/zinc/29/24/93/775292493.db2.gz USQTZLOJDWRLGW-LLVKDONJSA-N 0 3 264.329 -1.028 20 0 CAADHN C[C@](O)(CC(=O)NCCNCC(=O)NC(N)=O)C1CC1 ZINC001125867086 775294321 /nfs/dbraw/zinc/29/43/21/775294321.db2.gz ZPOUFRXWTFJQHZ-LBPRGKRZSA-N 0 3 286.332 -1.562 20 0 CAADHN O=C(N[C@H]1COCC[C@@H]1O)[C@H]1COC2(CNC2)CN1 ZINC001220181316 775294678 /nfs/dbraw/zinc/29/46/78/775294678.db2.gz JOHYIDYTDRWQAG-AEJSXWLSSA-N 0 3 271.317 -2.417 20 0 CAADHN C=CC(=O)NCCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220394198 775297409 /nfs/dbraw/zinc/29/74/09/775297409.db2.gz ABPBAJLVWHIKFY-VIFPVBQESA-N 0 3 268.317 -2.265 20 0 CAADHN C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220252224 775297573 /nfs/dbraw/zinc/29/75/73/775297573.db2.gz RSNHTBSKPRLSQC-BDAKNGLRSA-N 0 3 267.337 -1.330 20 0 CAADHN C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220252224 775297584 /nfs/dbraw/zinc/29/75/84/775297584.db2.gz RSNHTBSKPRLSQC-BDAKNGLRSA-N 0 3 267.337 -1.330 20 0 CAADHN C[N@@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220252224 775297587 /nfs/dbraw/zinc/29/75/87/775297587.db2.gz RSNHTBSKPRLSQC-BDAKNGLRSA-N 0 3 267.337 -1.330 20 0 CAADHN C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220252224 775297596 /nfs/dbraw/zinc/29/75/96/775297596.db2.gz RSNHTBSKPRLSQC-BDAKNGLRSA-N 0 3 267.337 -1.330 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001267746992 775297679 /nfs/dbraw/zinc/29/76/79/775297679.db2.gz FGBGQTCHCVVAQW-WOPDTQHZSA-N 0 3 299.371 -1.338 20 0 CAADHN C=CC(=O)NCCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220394197 775297850 /nfs/dbraw/zinc/29/78/50/775297850.db2.gz ABPBAJLVWHIKFY-SECBINFHSA-N 0 3 268.317 -2.265 20 0 CAADHN O=C(CCn1cnnn1)N[C@@H]1CCN(CCCO)C1 ZINC001267750580 775298404 /nfs/dbraw/zinc/29/84/04/775298404.db2.gz BXFYUVBANWWNLO-SNVBAGLBSA-N 0 3 268.321 -1.364 20 0 CAADHN CN(C(=O)[C@@H]1CCC(=O)N1)[C@H]1CCN(CCOCCO)C1 ZINC001267776602 775301253 /nfs/dbraw/zinc/30/12/53/775301253.db2.gz LLTZQUNBVVVWSI-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(CNCCNC(=O)CN1CCOCC1)NCC1CC1 ZINC001125891420 775301809 /nfs/dbraw/zinc/30/18/09/775301809.db2.gz PANGIBLMEQSGQF-UHFFFAOYSA-N 0 3 298.387 -1.449 20 0 CAADHN CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCN(CCOCCO)C1 ZINC001267776600 775302281 /nfs/dbraw/zinc/30/22/81/775302281.db2.gz LLTZQUNBVVVWSI-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN Cc1nnc(CNC(=O)[C@@H](N)CC[S@](C)=O)[nH]1 ZINC001221409187 775302320 /nfs/dbraw/zinc/30/23/20/775302320.db2.gz SOJBBMHZCBBLEO-SKLCBMLGSA-N 0 3 259.335 -1.175 20 0 CAADHN CC[C@@H](CNC(=O)CC(N)=O)NCC(=O)NC1CC1 ZINC001267798733 775303179 /nfs/dbraw/zinc/30/31/79/775303179.db2.gz HKUXYCSZJATWNR-QMMMGPOBSA-N 0 3 270.333 -1.375 20 0 CAADHN Cn1nccc1CNCCNC(=O)CN1CCOCC1 ZINC001125891871 775304111 /nfs/dbraw/zinc/30/41/11/775304111.db2.gz TVIZZRNFRZMSDU-UHFFFAOYSA-N 0 3 281.360 -1.042 20 0 CAADHN Cn1cncc1CNCCNC(=O)CN1CCOCC1 ZINC001125891494 775304443 /nfs/dbraw/zinc/30/44/43/775304443.db2.gz QWTJZSRHEKHWLG-UHFFFAOYSA-N 0 3 281.360 -1.042 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)N[C@H](C)C(N)=O ZINC001267796266 775304746 /nfs/dbraw/zinc/30/47/46/775304746.db2.gz LKMUQUUSMCQBDY-SFYZADRCSA-N 0 3 269.309 -1.969 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCCNC1=O)NCC(N)=O ZINC001267807430 775305220 /nfs/dbraw/zinc/30/52/20/775305220.db2.gz WUNURLORMHHXOF-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(N)=O ZINC001267816806 775306553 /nfs/dbraw/zinc/30/65/53/775306553.db2.gz GVLUOEVDCVURRC-SSDOTTSWSA-N 0 3 267.289 -1.647 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCCNC1=O)NCC(N)=O ZINC001267807429 775307237 /nfs/dbraw/zinc/30/72/37/775307237.db2.gz WUNURLORMHHXOF-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H](CNC(=O)[C@]1(CC)CCNC1=O)NCC(N)=O ZINC001267807581 775307339 /nfs/dbraw/zinc/30/73/39/775307339.db2.gz YWULQQYLMMZMLP-TVQRCGJNSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@H](CNC(=O)C1(C(N)=O)CC1)N[C@H](C)C(N)=O ZINC001267817266 775309323 /nfs/dbraw/zinc/30/93/23/775309323.db2.gz KOISTMMUQNHUTE-SFYZADRCSA-N 0 3 270.333 -1.390 20 0 CAADHN O=C(CN1CCOCC1)NCCN[C@@H]1CCCNC1=O ZINC001125900967 775309360 /nfs/dbraw/zinc/30/93/60/775309360.db2.gz AUAYJFYWESZECC-LLVKDONJSA-N 0 3 284.360 -1.697 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)C1(C(N)=O)CC1 ZINC001267818045 775309528 /nfs/dbraw/zinc/30/95/28/775309528.db2.gz XKKSPVVSZICIBB-VIFPVBQESA-N 0 3 284.360 -1.128 20 0 CAADHN O=C(CNCCNC(=O)CN1CCOCC1)NC1CC1 ZINC001125903893 775310224 /nfs/dbraw/zinc/31/02/24/775310224.db2.gz XUHQDSBMMVSTOE-UHFFFAOYSA-N 0 3 284.360 -1.697 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CN2CCOCC2)C1=O ZINC001125903957 775311641 /nfs/dbraw/zinc/31/16/41/775311641.db2.gz ZUJMPXHMMSZOFK-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)n1cncn1)C(N)=O ZINC001125911092 775312289 /nfs/dbraw/zinc/31/22/89/775312289.db2.gz FFYSNFFDYPDFGD-SFYZADRCSA-N 0 3 254.294 -1.581 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)n1cncn1 ZINC001125911145 775312306 /nfs/dbraw/zinc/31/23/06/775312306.db2.gz MPAOLZARBAETOF-RKDXNWHRSA-N 0 3 294.315 -1.650 20 0 CAADHN CCNC(=O)CNC[C@](C)(NC(=O)C(N)=O)C1CC1 ZINC001267858900 775312322 /nfs/dbraw/zinc/31/23/22/775312322.db2.gz XCJHHGOGKAQSJC-LBPRGKRZSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)n1cncn1)C(N)=O ZINC001125911090 775313079 /nfs/dbraw/zinc/31/30/79/775313079.db2.gz FFYSNFFDYPDFGD-HTQZYQBOSA-N 0 3 254.294 -1.581 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)N1CCC1)n1cncn1 ZINC001125925804 775315498 /nfs/dbraw/zinc/31/54/98/775315498.db2.gz OTKOMDFPGHVZND-JTQLQIEISA-N 0 3 280.332 -1.223 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)N1CCC1)n1cncn1 ZINC001125925805 775315723 /nfs/dbraw/zinc/31/57/23/775315723.db2.gz OTKOMDFPGHVZND-SNVBAGLBSA-N 0 3 280.332 -1.223 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)CC(N)=O ZINC001267953102 775318979 /nfs/dbraw/zinc/31/89/79/775318979.db2.gz FSPSLVBOFAPVDW-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC1CC1)n1cncn1 ZINC001125931091 775319018 /nfs/dbraw/zinc/31/90/18/775319018.db2.gz RRWUMSRJYHHAEI-SECBINFHSA-N 0 3 280.332 -1.177 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1COCCN1C)C(=O)N(C)C ZINC001125944501 775319645 /nfs/dbraw/zinc/31/96/45/775319645.db2.gz CWSWKUXWCYCZIK-WDEREUQCSA-N 0 3 286.376 -1.501 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)C1CC(=O)NC(=O)C1 ZINC001267965832 775320386 /nfs/dbraw/zinc/32/03/86/775320386.db2.gz SLLZVXJQUYOYFJ-SECBINFHSA-N 0 3 296.327 -1.895 20 0 CAADHN CN1CCOC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001125944463 775320582 /nfs/dbraw/zinc/32/05/82/775320582.db2.gz CFASFSKSWPVWJJ-QMMMGPOBSA-N 0 3 287.320 -2.782 20 0 CAADHN CC(C)CNCc1cn(C2CN(C(=O)C(N)=O)C2)nn1 ZINC001105318632 775320919 /nfs/dbraw/zinc/32/09/19/775320919.db2.gz IJGHQZJVUIHTFR-UHFFFAOYSA-N 0 3 280.332 -1.108 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC001267964496 775321460 /nfs/dbraw/zinc/32/14/60/775321460.db2.gz WKWADRWERAEDDX-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001267969080 775321527 /nfs/dbraw/zinc/32/15/27/775321527.db2.gz FANUHLIOJBZWEO-BDAKNGLRSA-N 0 3 268.317 -1.669 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2COCCN2C)C1=O ZINC001125946399 775322030 /nfs/dbraw/zinc/32/20/30/775322030.db2.gz UTWPZSFMDJFCJB-GHMZBOCLSA-N 0 3 284.360 -1.747 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1COCCN1C)C(N)=O ZINC001125945825 775322617 /nfs/dbraw/zinc/32/26/17/775322617.db2.gz PSDQKLHLWGKAOL-DTWKUNHWSA-N 0 3 258.322 -2.103 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2COCCN2C)C1=O ZINC001125945538 775322784 /nfs/dbraw/zinc/32/27/84/775322784.db2.gz NXGIRQIZFWHWAY-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1COCCN1C)C(N)=O ZINC001125945109 775323072 /nfs/dbraw/zinc/32/30/72/775323072.db2.gz IWEPRSJQWMHEOU-VHSXEESVSA-N 0 3 272.349 -1.713 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)CNC(=O)C2CC2)C1)C(N)=O ZINC001207514711 775324355 /nfs/dbraw/zinc/32/43/55/775324355.db2.gz KGWJTTRQNVOYAU-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1COCCN1C)C1CC1 ZINC001125950852 775324634 /nfs/dbraw/zinc/32/46/34/775324634.db2.gz ALVLPRKWSDHXJU-LBPRGKRZSA-N 0 3 298.387 -1.356 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@@H]2COCCN2C)cn1 ZINC001125956052 775325900 /nfs/dbraw/zinc/32/59/00/775325900.db2.gz GCUWYVJGTOWTKB-LBPRGKRZSA-N 0 3 281.360 -1.044 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1COCCN1C ZINC001125956271 775327457 /nfs/dbraw/zinc/32/74/57/775327457.db2.gz HZMOOYKAEIEGAC-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001114945547 775327896 /nfs/dbraw/zinc/32/78/96/775327896.db2.gz QGFGDJGKNVXSRR-MPXOCVNLSA-N 0 3 294.355 -1.600 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1COCCN1C ZINC001125956904 775328201 /nfs/dbraw/zinc/32/82/01/775328201.db2.gz RHWHKCZUBFPVCP-SECBINFHSA-N 0 3 258.322 -2.231 20 0 CAADHN CN1CCOC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001125959880 775328387 /nfs/dbraw/zinc/32/83/87/775328387.db2.gz COHZLQHJYOBQDV-UWVGGRQHSA-N 0 3 270.333 -2.089 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@H]2COCCN2C)C1=O ZINC001125960413 775328643 /nfs/dbraw/zinc/32/86/43/775328643.db2.gz JKKBVGCPCVAEPE-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1COCCN1C ZINC001125961468 775328782 /nfs/dbraw/zinc/32/87/82/775328782.db2.gz VKDMFSAWSOGHRA-JTQLQIEISA-N 0 3 272.349 -1.841 20 0 CAADHN CNC(=O)CC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001126169055 775355588 /nfs/dbraw/zinc/35/55/88/775355588.db2.gz DXJJQQCLWHMCHG-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001114945546 775329021 /nfs/dbraw/zinc/32/90/21/775329021.db2.gz QGFGDJGKNVXSRR-COMAGPEQSA-N 0 3 294.355 -1.600 20 0 CAADHN CN1CCOC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001125960792 775329093 /nfs/dbraw/zinc/32/90/93/775329093.db2.gz OLZIDUSHYKWVPQ-MNOVXSKESA-N 0 3 284.360 -1.699 20 0 CAADHN CN1CCOC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001125959882 775329539 /nfs/dbraw/zinc/32/95/39/775329539.db2.gz COHZLQHJYOBQDV-ZJUUUORDSA-N 0 3 270.333 -2.089 20 0 CAADHN CN1CCOC[C@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001125961970 775330223 /nfs/dbraw/zinc/33/02/23/775330223.db2.gz ZMQPEWJMNPAUIQ-ZJUUUORDSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@@H](C)C(N)=O ZINC001268008717 775330274 /nfs/dbraw/zinc/33/02/74/775330274.db2.gz KKYQZNGSCDGIRA-YUMQZZPRSA-N 0 3 268.321 -1.437 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@H](C)C(N)=O ZINC001268008715 775331110 /nfs/dbraw/zinc/33/11/10/775331110.db2.gz KKYQZNGSCDGIRA-JGVFFNPUSA-N 0 3 268.321 -1.437 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1COCCN1C ZINC001125961522 775331260 /nfs/dbraw/zinc/33/12/60/775331260.db2.gz WDODPEDPKZHBHU-NSHDSACASA-N 0 3 286.376 -1.453 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001125961969 775331456 /nfs/dbraw/zinc/33/14/56/775331456.db2.gz ZMQPEWJMNPAUIQ-VHSXEESVSA-N 0 3 298.343 -2.172 20 0 CAADHN COC[C@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994638 775337037 /nfs/dbraw/zinc/33/70/37/775337037.db2.gz PWGFJZSLDRTLCN-REIXXSIJSA-N 0 3 282.300 -1.263 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@H](CC)C(N)=O ZINC001126007608 775338527 /nfs/dbraw/zinc/33/85/27/775338527.db2.gz POQHVYBXKIOSSM-MRVPVSSYSA-N 0 3 258.322 -1.518 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126003559 775337422 /nfs/dbraw/zinc/33/74/22/775337422.db2.gz ZVGNQPLANMBJBD-MRVPVSSYSA-N 0 3 284.316 -1.976 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126003560 775337588 /nfs/dbraw/zinc/33/75/88/775337588.db2.gz ZVGNQPLANMBJBD-QMMMGPOBSA-N 0 3 284.316 -1.976 20 0 CAADHN CCNC(=O)CC(=O)NCCNCC(=O)NC1CC1 ZINC001126002987 775337615 /nfs/dbraw/zinc/33/76/15/775337615.db2.gz RRPQXAJMLFGTEX-UHFFFAOYSA-N 0 3 270.333 -1.503 20 0 CAADHN CCNC(=O)CC(=O)NCCNCC(=O)N1CCCC1 ZINC001126003489 775338411 /nfs/dbraw/zinc/33/84/11/775338411.db2.gz YIDIXLPHKCLTIA-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@H]1CCCNC1=O ZINC001126003443 775338964 /nfs/dbraw/zinc/33/89/64/775338964.db2.gz WDBDVXKXWALEKP-VIFPVBQESA-N 0 3 270.333 -1.503 20 0 CAADHN CCNC(=O)CC(=O)NCCNCC(=O)N(C)C ZINC001126002886 775339028 /nfs/dbraw/zinc/33/90/28/775339028.db2.gz OLCHHVNEGQWBBT-UHFFFAOYSA-N 0 3 258.322 -1.693 20 0 CAADHN Cn1nccc1CNCCNC(=O)CN1CN=NC1=O ZINC001126021076 775339274 /nfs/dbraw/zinc/33/92/74/775339274.db2.gz GRGAVZSBNOSSQI-UHFFFAOYSA-N 0 3 279.304 -1.377 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@H]1CCN(CC)C1=O ZINC001126008079 775339324 /nfs/dbraw/zinc/33/93/24/775339324.db2.gz XPVMDOGYMGGRGJ-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001126011582 775339581 /nfs/dbraw/zinc/33/95/81/775339581.db2.gz IPYNIKDETHVHTC-SSDOTTSWSA-N 0 3 287.320 -2.198 20 0 CAADHN CNC(=O)CCCC(=O)NCCNCC(=O)NC(N)=O ZINC001126015549 775339973 /nfs/dbraw/zinc/33/99/73/775339973.db2.gz LHEBGVYKGPXNDY-UHFFFAOYSA-N 0 3 287.320 -2.197 20 0 CAADHN CNC(=O)CCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001126015843 775340018 /nfs/dbraw/zinc/34/00/18/775340018.db2.gz VAARSFJQXJYAMI-SECBINFHSA-N 0 3 270.333 -1.503 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCCC(=O)NC ZINC001126015391 775340038 /nfs/dbraw/zinc/34/00/38/775340038.db2.gz HHCWIVGQBVYWMC-UHFFFAOYSA-N 0 3 272.349 -1.255 20 0 CAADHN CNC(=O)CCCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126015518 775340227 /nfs/dbraw/zinc/34/02/27/775340227.db2.gz JMKLVNRWPIGZJP-VIFPVBQESA-N 0 3 298.343 -1.586 20 0 CAADHN CNC(=O)CCCC(=O)NCCN[C@@H](C)C(N)=O ZINC001126015813 775340931 /nfs/dbraw/zinc/34/09/31/775340931.db2.gz TUFNYEPESRVQEV-QMMMGPOBSA-N 0 3 258.322 -1.518 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126022130 775341515 /nfs/dbraw/zinc/34/15/15/775341515.db2.gz YOLDHNZLLHDDTR-UHFFFAOYSA-N 0 3 284.320 -1.832 20 0 CAADHN O=C(CN1CN=NC1=O)NCCN[C@@H]1CCNC1=O ZINC001126027797 775341536 /nfs/dbraw/zinc/34/15/36/775341536.db2.gz WQLXKKGZCARXCF-SSDOTTSWSA-N 0 3 268.277 -2.422 20 0 CAADHN O=C(CN1CN=NC1=O)NCCN[C@H]1CCCNC1=O ZINC001126027787 775341704 /nfs/dbraw/zinc/34/17/04/775341704.db2.gz WHKCNWBCTPNRJL-QMMMGPOBSA-N 0 3 282.304 -2.032 20 0 CAADHN O=C(CNCCNC(=O)CN1CN=NC1=O)NC1CC1 ZINC001126026426 775341738 /nfs/dbraw/zinc/34/17/38/775341738.db2.gz AIBGDFXGYQKGSY-UHFFFAOYSA-N 0 3 282.304 -2.032 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126021860 775341799 /nfs/dbraw/zinc/34/17/99/775341799.db2.gz SACIJXUUNOUIRB-UHFFFAOYSA-N 0 3 256.266 -2.565 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126021957 775341866 /nfs/dbraw/zinc/34/18/66/775341866.db2.gz WILIHMZTUIPANN-UHFFFAOYSA-N 0 3 298.347 -1.396 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126026789 775341887 /nfs/dbraw/zinc/34/18/87/775341887.db2.gz HQMLUNHKSVQJMN-UHFFFAOYSA-N 0 3 299.291 -2.855 20 0 CAADHN CN(C(=O)CNCCNC(=O)CN1CN=NC1=O)C1CC1 ZINC001126021840 775342206 /nfs/dbraw/zinc/34/22/06/775342206.db2.gz QXVUTNBYVSHBEO-UHFFFAOYSA-N 0 3 296.331 -1.690 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)CN2CN=NC2=O)C1=O ZINC001126026805 775342708 /nfs/dbraw/zinc/34/27/08/775342708.db2.gz IHWNJAGZKUUMSC-VIFPVBQESA-N 0 3 296.331 -1.690 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1CN=NC1=O ZINC001126027047 775342829 /nfs/dbraw/zinc/34/28/29/775342829.db2.gz MZAWDVSCZGYRMD-ZETCQYMHSA-N 0 3 270.293 -2.176 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126028152 775343824 /nfs/dbraw/zinc/34/38/24/775343824.db2.gz ZFFASMSXPRDVJJ-UHFFFAOYSA-N 0 3 298.347 -1.538 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(OC)no1 ZINC001126033647 775343892 /nfs/dbraw/zinc/34/38/92/775343892.db2.gz RYJGVMJTJKXJGF-UHFFFAOYSA-N 0 3 256.262 -1.251 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CN2CN=NC2=O)C1=O ZINC001126031764 775344046 /nfs/dbraw/zinc/34/40/46/775344046.db2.gz BIAUEGIHUZKKTJ-QMMMGPOBSA-N 0 3 282.304 -2.080 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CC[C@@H](C)OC ZINC001126043903 775344352 /nfs/dbraw/zinc/34/43/52/775344352.db2.gz SZBSATAOFSNNRX-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN COc1cc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)on1 ZINC001126037081 775344427 /nfs/dbraw/zinc/34/44/27/775344427.db2.gz PBNRUNWXUNGMOP-LURJTMIESA-N 0 3 299.287 -1.414 20 0 CAADHN C[C@H](NCCNC(=O)CN1CN=NC1=O)C(=O)NC1CC1 ZINC001126031720 775344604 /nfs/dbraw/zinc/34/46/04/775344604.db2.gz AQKJIKHYBZXZSS-QMMMGPOBSA-N 0 3 296.331 -1.643 20 0 CAADHN CC[C@H](NCCNC(=O)CN1CN=NC1=O)C(N)=O ZINC001126033217 775344819 /nfs/dbraw/zinc/34/48/19/775344819.db2.gz PXPYDWFCBYEEAZ-ZETCQYMHSA-N 0 3 270.293 -2.047 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1CN=NC1=O)C(N)=O ZINC001126033216 775344999 /nfs/dbraw/zinc/34/49/99/775344999.db2.gz PXPYDWFCBYEEAZ-SSDOTTSWSA-N 0 3 270.293 -2.047 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cncnc1 ZINC001126093612 775345480 /nfs/dbraw/zinc/34/54/80/775345480.db2.gz HFEFTIKDUHTVCO-UHFFFAOYSA-N 0 3 251.290 -1.068 20 0 CAADHN Cn1ncc(C(=O)NCCNCC(=O)NCC2CC2)c1N ZINC001126086380 775345729 /nfs/dbraw/zinc/34/57/29/775345729.db2.gz JHYUCJSWNBGAQT-UHFFFAOYSA-N 0 3 294.359 -1.152 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccc(F)cn1 ZINC001126065943 775346225 /nfs/dbraw/zinc/34/62/25/775346225.db2.gz ACXONNJCKJNALC-UHFFFAOYSA-N 0 3 283.263 -1.265 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1cncnc1 ZINC001126093707 775346697 /nfs/dbraw/zinc/34/66/97/775346697.db2.gz KVQSEISXLZTJPM-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN COCC(=O)N1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000722226780 775346744 /nfs/dbraw/zinc/34/67/44/775346744.db2.gz YKXDGOUNFLDZFF-UHFFFAOYSA-N 0 3 277.346 -1.921 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@@H]2CCNC2=O)c1N ZINC001126099797 775347372 /nfs/dbraw/zinc/34/73/72/775347372.db2.gz ZVCADNYFOYGDDH-MRVPVSSYSA-N 0 3 266.305 -1.790 20 0 CAADHN O=C(Cc1nnc[n-]1)NCC1CC([NH2+][C@H]2CCNC2=O)C1 ZINC001100850272 775347669 /nfs/dbraw/zinc/34/76/69/775347669.db2.gz XZKRWZZTBITNHT-RTBKNWGFSA-N 0 3 292.343 -1.280 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@H]2CCNC2=O)c1N ZINC001126099798 775347950 /nfs/dbraw/zinc/34/79/50/775347950.db2.gz ZVCADNYFOYGDDH-QMMMGPOBSA-N 0 3 266.305 -1.790 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@@H]2CCCN(C)C2=O)c1N ZINC001126099264 775348209 /nfs/dbraw/zinc/34/82/09/775348209.db2.gz JWYSPTCIFWNNFU-SNVBAGLBSA-N 0 3 294.359 -1.058 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)c1N ZINC001126099677 775348274 /nfs/dbraw/zinc/34/82/74/775348274.db2.gz SVYVZZNNZZLYIX-MRVPVSSYSA-N 0 3 294.315 -1.873 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn(C)c1N)C(=O)N(C)C ZINC001126099295 775348361 /nfs/dbraw/zinc/34/83/61/775348361.db2.gz LCWZNXDJSVQWJF-MRVPVSSYSA-N 0 3 282.348 -1.202 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1cncnc1 ZINC001126093364 775348521 /nfs/dbraw/zinc/34/85/21/775348521.db2.gz DBKXSROSVMNDER-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cnn(C)c2N)C1=O ZINC001126104622 775348542 /nfs/dbraw/zinc/34/85/42/775348542.db2.gz VMOAWPRAWWFKSK-VIFPVBQESA-N 0 3 280.332 -1.448 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cnn(C)c1N ZINC001126099237 775348690 /nfs/dbraw/zinc/34/86/90/775348690.db2.gz ISJCEZCAWCKXBI-UHFFFAOYSA-N 0 3 268.321 -1.590 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@H]2CCCNC2=O)c1N ZINC001126099502 775348767 /nfs/dbraw/zinc/34/87/67/775348767.db2.gz PVAQXWFOUCXHSE-VIFPVBQESA-N 0 3 280.332 -1.400 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cnn(C)c1N)C(N)=O ZINC001126104374 775349147 /nfs/dbraw/zinc/34/91/47/775349147.db2.gz ODYNGBMESMTSLB-MRVPVSSYSA-N 0 3 268.321 -1.414 20 0 CAADHN Cn1ncc(C(=O)NCCNCC(=O)NC2CC2)c1N ZINC001126099722 775349169 /nfs/dbraw/zinc/34/91/69/775349169.db2.gz VRSLDTAXSCLTSU-UHFFFAOYSA-N 0 3 280.332 -1.400 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1cnn(C)c1N ZINC001126099268 775349218 /nfs/dbraw/zinc/34/92/18/775349218.db2.gz JZRUNNVWNHVKEW-UHFFFAOYSA-N 0 3 282.348 -1.154 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cncnc1 ZINC001126118712 775350017 /nfs/dbraw/zinc/35/00/17/775350017.db2.gz IIELNERYLWXVHR-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1=CCOCC1 ZINC001126113922 775350063 /nfs/dbraw/zinc/35/00/63/775350063.db2.gz DCBMBZXPRXTYKG-UHFFFAOYSA-N 0 3 270.289 -1.766 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)C1=CCOCC1 ZINC001126113939 775350964 /nfs/dbraw/zinc/35/09/64/775350964.db2.gz DSICSAKBZLNVFX-JTQLQIEISA-N 0 3 281.312 -1.156 20 0 CAADHN C[C@@H](NCCNC(=O)C1=CCOCC1)C(=O)NC(N)=O ZINC001126147112 775352052 /nfs/dbraw/zinc/35/20/52/775352052.db2.gz FWXMUWBTCPWURZ-MRVPVSSYSA-N 0 3 284.316 -1.378 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NC(C)(C)C ZINC001126154126 775352381 /nfs/dbraw/zinc/35/23/81/775352381.db2.gz XCRIRSITCJCXTC-UHFFFAOYSA-N 0 3 272.349 -1.257 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C1=CCOCC1 ZINC001126148840 775352655 /nfs/dbraw/zinc/35/26/55/775352655.db2.gz XYAHTFNHOKZMKK-VIFPVBQESA-N 0 3 298.343 -1.117 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@H](C)C(=O)NCC(C)C ZINC001126158293 775352839 /nfs/dbraw/zinc/35/28/39/775352839.db2.gz DIBSRPVXYNXXOP-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NCc1ccco1 ZINC001126161534 775353314 /nfs/dbraw/zinc/35/33/14/775353314.db2.gz OYAGRVXKOXCXHN-UHFFFAOYSA-N 0 3 296.327 -1.262 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)N(C)C(C)C ZINC001126161049 775353602 /nfs/dbraw/zinc/35/36/02/775353602.db2.gz CGQHHERJVZTNPI-UHFFFAOYSA-N 0 3 272.349 -1.305 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001126160082 775353670 /nfs/dbraw/zinc/35/36/70/775353670.db2.gz YCVAPSDLVFNGOK-ZETCQYMHSA-N 0 3 287.320 -2.328 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001126160097 775353765 /nfs/dbraw/zinc/35/37/65/775353765.db2.gz YQGWWTWFBYMJPT-QMMMGPOBSA-N 0 3 270.333 -1.505 20 0 CAADHN CCN(C(=O)CNCCNC(=O)CC(=O)NC)C1CC1 ZINC001126159778 775353876 /nfs/dbraw/zinc/35/38/76/775353876.db2.gz QGVNUUXVACQIJB-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NC(N)=O ZINC001126161329 775353900 /nfs/dbraw/zinc/35/39/00/775353900.db2.gz HZFLJRVEMPZBAB-UHFFFAOYSA-N 0 3 259.266 -2.977 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001126160081 775353960 /nfs/dbraw/zinc/35/39/60/775353960.db2.gz YCVAPSDLVFNGOK-SSDOTTSWSA-N 0 3 287.320 -2.328 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NC(=O)NC ZINC001126161381 775353997 /nfs/dbraw/zinc/35/39/97/775353997.db2.gz JJXBLNKEBQTHCU-UHFFFAOYSA-N 0 3 273.293 -2.716 20 0 CAADHN CNC(=O)CC(=O)NCCNCc1ccnn1C ZINC001126161046 775354269 /nfs/dbraw/zinc/35/42/69/775354269.db2.gz CCSZPBLCFBMQHT-UHFFFAOYSA-N 0 3 253.306 -1.238 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NCC1CCC1 ZINC001126161374 775354590 /nfs/dbraw/zinc/35/45/90/775354590.db2.gz JDUZAXPKBMNNTD-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NCC1CC1 ZINC001126161674 775354865 /nfs/dbraw/zinc/35/48/65/775354865.db2.gz RPJHVKBXHZUJRT-UHFFFAOYSA-N 0 3 270.333 -1.646 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001126159243 775355040 /nfs/dbraw/zinc/35/50/40/775355040.db2.gz LAKYSGYWDQAMBO-UHFFFAOYSA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126169754 775355333 /nfs/dbraw/zinc/35/53/33/775355333.db2.gz NVJAHHOYGWCRNS-SSDOTTSWSA-N 0 3 270.289 -2.367 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NC1CCCC1 ZINC001126161739 775355784 /nfs/dbraw/zinc/35/57/84/775355784.db2.gz TVVKHCXPFIMPLU-UHFFFAOYSA-N 0 3 284.360 -1.113 20 0 CAADHN COC(=O)C[C@@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000722256451 775356454 /nfs/dbraw/zinc/35/64/54/775356454.db2.gz FBRKVIPEYOHLHA-MRVPVSSYSA-N 0 3 278.330 -1.448 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@H]1CCCNC1=O ZINC001126170118 775356539 /nfs/dbraw/zinc/35/65/39/775356539.db2.gz VQVYDNKVRBIBPA-QMMMGPOBSA-N 0 3 256.306 -1.893 20 0 CAADHN COC(=O)[C@H]1COCCN1S(=O)(=O)C1CNC1 ZINC000722248820 775356778 /nfs/dbraw/zinc/35/67/78/775356778.db2.gz LNFKLKFFWRCATR-MRVPVSSYSA-N 0 3 264.303 -1.838 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CC(=O)NC)C1=O ZINC001126170396 775356968 /nfs/dbraw/zinc/35/69/68/775356968.db2.gz ZQYNOSZOIFYBJP-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN NC(=O)C(=O)NCC1(N[C@H]2CCCNC2=O)CCCC1 ZINC001268037537 775357555 /nfs/dbraw/zinc/35/75/55/775357555.db2.gz KEQBRUCOUGTAOP-VIFPVBQESA-N 0 3 282.344 -1.231 20 0 CAADHN NC(=O)C(=O)NCC1(N[C@@H]2CCCNC2=O)CCCC1 ZINC001268037536 775357753 /nfs/dbraw/zinc/35/77/53/775357753.db2.gz KEQBRUCOUGTAOP-SECBINFHSA-N 0 3 282.344 -1.231 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001126194375 775358346 /nfs/dbraw/zinc/35/83/46/775358346.db2.gz HZCOHKXRSHUBNA-IUCAKERBSA-N 0 3 299.375 -1.336 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001126194686 775358363 /nfs/dbraw/zinc/35/83/63/775358363.db2.gz JMEGDXSBPZUSTH-NKWVEPMBSA-N 0 3 259.310 -1.987 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001126194683 775358423 /nfs/dbraw/zinc/35/84/23/775358423.db2.gz JMEGDXSBPZUSTH-BQBZGAKWSA-N 0 3 259.310 -1.987 20 0 CAADHN CCCC[C@H](NCCNC(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001126195049 775358477 /nfs/dbraw/zinc/35/84/77/775358477.db2.gz MYQBNMINAGSXGN-IUCAKERBSA-N 0 3 287.364 -1.207 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)[C@H](C)NC(N)=O)C1=O ZINC001126195101 775359050 /nfs/dbraw/zinc/35/90/50/775359050.db2.gz NWJLLAXDJZPUAR-VHSXEESVSA-N 0 3 299.375 -1.242 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)[C@H](C)NC(N)=O)C1=O ZINC001126195096 775359070 /nfs/dbraw/zinc/35/90/70/775359070.db2.gz NWJLLAXDJZPUAR-UWVGGRQHSA-N 0 3 299.375 -1.242 20 0 CAADHN CCN(C(=O)CNCCNC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001126195977 775359338 /nfs/dbraw/zinc/35/93/38/775359338.db2.gz XGHIAWVYUCSGNB-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN NC(=O)NCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149136527 775359544 /nfs/dbraw/zinc/35/95/44/775359544.db2.gz IUKATURFOWNWJK-VIFPVBQESA-N 0 3 274.321 -2.146 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H](C)NC(N)=O)C1=O ZINC001126196104 775359594 /nfs/dbraw/zinc/35/95/94/775359594.db2.gz YRXXCXIZKMDARJ-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](OCC(=O)NCCNCC(N)=O)c1nccn1C ZINC001149288025 775359658 /nfs/dbraw/zinc/35/96/58/775359658.db2.gz VJBKKUOPFRCXIS-SECBINFHSA-N 0 3 283.332 -1.311 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H](C)NC(N)=O ZINC001126198664 775360249 /nfs/dbraw/zinc/36/02/49/775360249.db2.gz FDNMDQWALPMKLM-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001126198766 775360658 /nfs/dbraw/zinc/36/06/58/775360658.db2.gz ICFVVBHLZLKPHK-VIFPVBQESA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001126198502 775360802 /nfs/dbraw/zinc/36/08/02/775360802.db2.gz AXURIVLXYPAQOP-QMMMGPOBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)NCC1CCC1 ZINC001126199086 775360925 /nfs/dbraw/zinc/36/09/25/775360925.db2.gz NMDQVYBMJKTSDI-VIFPVBQESA-N 0 3 299.375 -1.335 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)NC(C)(C)C ZINC001126198759 775361051 /nfs/dbraw/zinc/36/10/51/775361051.db2.gz HXSYBMSFTZUUCW-QMMMGPOBSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCc1cnn(C)c1 ZINC001126198750 775361188 /nfs/dbraw/zinc/36/11/88/775361188.db2.gz HSAWAEFUMABLOU-QMMMGPOBSA-N 0 3 268.321 -1.317 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)NC1CC1 ZINC001126204265 775361901 /nfs/dbraw/zinc/36/19/01/775361901.db2.gz LAFYVLHWLOAJDO-ZETCQYMHSA-N 0 3 271.321 -1.972 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001126204529 775362133 /nfs/dbraw/zinc/36/21/33/775362133.db2.gz PRNUXOXADCHWQI-JGVFFNPUSA-N 0 3 271.321 -1.972 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](C)NC(N)=O ZINC001126204688 775362338 /nfs/dbraw/zinc/36/23/38/775362338.db2.gz UZFFCAKIOWROBQ-LURJTMIESA-N 0 3 288.308 -2.795 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)[C@H](C)NC(N)=O ZINC001126204813 775362429 /nfs/dbraw/zinc/36/24/29/775362429.db2.gz YCDYTOTWORNPQM-VIFPVBQESA-N 0 3 287.364 -1.335 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@H](C)NC(N)=O ZINC001126203926 775362999 /nfs/dbraw/zinc/36/29/99/775362999.db2.gz BXYUVCDBRUOCNZ-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)NC(N)=O)C(=O)NC1CC1 ZINC001126199849 775363020 /nfs/dbraw/zinc/36/30/20/775363020.db2.gz YQJBWMKZKCOVCX-YUMQZZPRSA-N 0 3 285.348 -1.584 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)/C=C\c1ccc[nH]1 ZINC001126238101 775365818 /nfs/dbraw/zinc/36/58/18/775365818.db2.gz IHVLUOUXYYOPPS-ARJAWSKDSA-N 0 3 279.300 -1.071 20 0 CAADHN COC[C@@H](O)CN1CC2(C1)CCN(C(=O)CC(N)=O)CC2 ZINC001268044156 775366098 /nfs/dbraw/zinc/36/60/98/775366098.db2.gz RRPDNGONRVXLAY-NSHDSACASA-N 0 3 299.371 -1.207 20 0 CAADHN O=C(CC1OCCCO1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126228463 775366865 /nfs/dbraw/zinc/36/68/65/775366865.db2.gz QYUFAUBNQIILSN-SECBINFHSA-N 0 3 299.327 -1.350 20 0 CAADHN O=C(CCn1ccnn1)NCCNCC(=O)N1CCC1 ZINC001126265120 775367488 /nfs/dbraw/zinc/36/74/88/775367488.db2.gz XWCZXDIYBMFRNW-UHFFFAOYSA-N 0 3 280.332 -1.394 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H](C)C(N)=O)cnn1 ZINC001126254490 775367852 /nfs/dbraw/zinc/36/78/52/775367852.db2.gz FYJDPFDECXXFTL-QMMMGPOBSA-N 0 3 251.290 -1.022 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H]2CCNC2=O)cnn1 ZINC001126256012 775368124 /nfs/dbraw/zinc/36/81/24/775368124.db2.gz VLAWNTVEVPNHGK-JTQLQIEISA-N 0 3 263.301 -1.007 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001207552999 775368219 /nfs/dbraw/zinc/36/82/19/775368219.db2.gz RNFJOMSNLQQAKK-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1ccnn1)C(N)=O ZINC001126270368 775368440 /nfs/dbraw/zinc/36/84/40/775368440.db2.gz KBFITXKDCXNDIW-MRVPVSSYSA-N 0 3 254.294 -1.752 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnnc(C)c1 ZINC001126251382 775368871 /nfs/dbraw/zinc/36/88/71/775368871.db2.gz XBQYLWFLTCNFQP-UHFFFAOYSA-N 0 3 251.290 -1.150 20 0 CAADHN C[C@H](NCCNC(=O)CCn1ccnn1)C(N)=O ZINC001126270369 775369440 /nfs/dbraw/zinc/36/94/40/775369440.db2.gz KBFITXKDCXNDIW-QMMMGPOBSA-N 0 3 254.294 -1.752 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CCn2ccnn2)C1=O ZINC001126281493 775369454 /nfs/dbraw/zinc/36/94/54/775369454.db2.gz KUMYIUDGMQGYDN-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@H](NCCNC(=O)CCn1ccnn1)C(=O)NC(N)=O ZINC001126281096 775369550 /nfs/dbraw/zinc/36/95/50/775369550.db2.gz BYDIVFQXPOTGLF-QMMMGPOBSA-N 0 3 297.319 -2.043 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCn1ccnn1 ZINC001126270491 775369640 /nfs/dbraw/zinc/36/96/40/775369640.db2.gz PDDQOPBEQFTFJF-UHFFFAOYSA-N 0 3 283.292 -2.431 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CCn2ccnn2)C1=O ZINC001126281936 775369664 /nfs/dbraw/zinc/36/96/64/775369664.db2.gz WDHYXTYGJYFNCL-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN O=C(CCn1ccnn1)NCCN[C@H]1CCCNC1=O ZINC001126270385 775370261 /nfs/dbraw/zinc/37/02/61/775370261.db2.gz KRNMXQMAZVVNJS-JTQLQIEISA-N 0 3 280.332 -1.347 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CCn1ccnn1 ZINC001126270380 775370421 /nfs/dbraw/zinc/37/04/21/775370421.db2.gz KLPZAKUUESRKLS-UHFFFAOYSA-N 0 3 282.348 -1.100 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)cnn1 ZINC001126282009 775370910 /nfs/dbraw/zinc/37/09/10/775370910.db2.gz ZDVYKXSEPCOIRB-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN CC(=O)N1CC(C(=O)NCCNCC(=O)N(C)C2CC2)C1 ZINC001126287631 775371470 /nfs/dbraw/zinc/37/14/70/775371470.db2.gz OEWSLDBITMACJF-UHFFFAOYSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)N1CC(C(=O)NCCNCC(=O)N(C)C)C1 ZINC001126287332 775371699 /nfs/dbraw/zinc/37/16/99/775371699.db2.gz GPWNBYVQKPFZGY-UHFFFAOYSA-N 0 3 270.333 -1.741 20 0 CAADHN CCNC(=O)CC(=O)N(C)[C@@H](C)CN[C@H]1CCNC1=O ZINC001268062135 775371835 /nfs/dbraw/zinc/37/18/35/775371835.db2.gz WNNLGOGIMGARQL-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001268069230 775371940 /nfs/dbraw/zinc/37/19/40/775371940.db2.gz QMHCRABIRLKDFV-ZETCQYMHSA-N 0 3 267.289 -1.282 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001126287328 775372103 /nfs/dbraw/zinc/37/21/03/775372103.db2.gz GICITKLLJKLQDC-LLVKDONJSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C(C)(C)C(N)=O ZINC001268067124 775372125 /nfs/dbraw/zinc/37/21/25/775372125.db2.gz CHKGCULEZAHCDB-SFYZADRCSA-N 0 3 272.349 -1.192 20 0 CAADHN CCNC(=O)CC(=O)N(C)[C@H](C)CN[C@@H]1CCNC1=O ZINC001268062134 775372704 /nfs/dbraw/zinc/37/27/04/775372704.db2.gz WNNLGOGIMGARQL-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CCN(C)C1=O ZINC001268080270 775373991 /nfs/dbraw/zinc/37/39/91/775373991.db2.gz HBNKVZMYHFBQBU-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN Cn1oc(C(=O)NCCN[C@@H]2CCNC2=O)cc1=O ZINC001126291730 775374012 /nfs/dbraw/zinc/37/40/12/775374012.db2.gz BQLWFXLIEDSAMZ-SSDOTTSWSA-N 0 3 268.273 -1.814 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001268080740 775374026 /nfs/dbraw/zinc/37/40/26/775374026.db2.gz MCDGUMWARQQHOJ-DTWKUNHWSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001268080272 775374411 /nfs/dbraw/zinc/37/44/11/775374411.db2.gz HBNKVZMYHFBQBU-WDEREUQCSA-N 0 3 298.387 -1.011 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)C2CN(C(C)=O)C2)C1=O ZINC001126292135 775374573 /nfs/dbraw/zinc/37/45/73/775374573.db2.gz LHMSSARJACLYJU-GFCCVEGCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001268080741 775374604 /nfs/dbraw/zinc/37/46/04/775374604.db2.gz MCDGUMWARQQHOJ-IUCAKERBSA-N 0 3 282.344 -1.423 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1cc(=O)n(C)o1 ZINC001126291887 775374631 /nfs/dbraw/zinc/37/46/31/775374631.db2.gz FLMMWWONSJIHJU-UHFFFAOYSA-N 0 3 284.316 -1.178 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cc(=O)n(C)o1 ZINC001126292156 775374768 /nfs/dbraw/zinc/37/47/68/775374768.db2.gz MPAKTBNSLOXNNP-UHFFFAOYSA-N 0 3 270.289 -1.614 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)C1(C(N)=O)CC1 ZINC001268079547 775375013 /nfs/dbraw/zinc/37/50/13/775375013.db2.gz CNGMOONQONNGIW-SECBINFHSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001268079261 775375038 /nfs/dbraw/zinc/37/50/38/775375038.db2.gz QZIOOPZIXYSNLJ-HTQZYQBOSA-N 0 3 258.322 -1.580 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)C2CN(C(C)=O)C2)C1=O ZINC001126292136 775375241 /nfs/dbraw/zinc/37/52/41/775375241.db2.gz LHMSSARJACLYJU-LBPRGKRZSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H](C)CC(N)=O ZINC001268079263 775375285 /nfs/dbraw/zinc/37/52/85/775375285.db2.gz QZIOOPZIXYSNLJ-JGVFFNPUSA-N 0 3 258.322 -1.580 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)C1(C(N)=O)CC1 ZINC001268079549 775375306 /nfs/dbraw/zinc/37/53/06/775375306.db2.gz CNGMOONQONNGIW-VIFPVBQESA-N 0 3 284.360 -1.223 20 0 CAADHN CC(=O)N1CC(C(=O)NCCNCC(=O)NCC(C)C)C1 ZINC001126297073 775376328 /nfs/dbraw/zinc/37/63/28/775376328.db2.gz CDUHLRIJFQYJLU-UHFFFAOYSA-N 0 3 298.387 -1.057 20 0 CAADHN Cn1oc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)cc1=O ZINC001126297254 775376958 /nfs/dbraw/zinc/37/69/58/775376958.db2.gz KJZCNRXVPLCCPQ-SSDOTTSWSA-N 0 3 296.283 -1.897 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc(=O)n(C)o1)C(N)=O ZINC001126297472 775376983 /nfs/dbraw/zinc/37/69/83/775376983.db2.gz UUEIBVPKSRWVTP-ZCFIWIBFSA-N 0 3 256.262 -1.829 20 0 CAADHN CC[C@@H](NCCNC(=O)C1CN(C(C)=O)C1)C(N)=O ZINC001126297151 775377079 /nfs/dbraw/zinc/37/70/79/775377079.db2.gz GDSONSRDFGIYCS-SNVBAGLBSA-N 0 3 270.333 -1.566 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)c2cc(=O)n(C)o2)C1=O ZINC001126297232 775377278 /nfs/dbraw/zinc/37/72/78/775377278.db2.gz JBXAYQDXYXPMOR-VIFPVBQESA-N 0 3 296.327 -1.082 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@@H](C)C(=O)N(C)C)C1 ZINC001126297270 775377415 /nfs/dbraw/zinc/37/74/15/775377415.db2.gz KUAOYBADHCHWQH-VIFPVBQESA-N 0 3 284.360 -1.353 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cc(=O)n(C)o2)C1=O ZINC001126301879 775377657 /nfs/dbraw/zinc/37/76/57/775377657.db2.gz JTYSHVFZVTYMRP-MRVPVSSYSA-N 0 3 282.300 -1.472 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1cc(=O)n(C)o1 ZINC001126302057 775377679 /nfs/dbraw/zinc/37/76/79/775377679.db2.gz QLMLPMHVGAUGOC-UHFFFAOYSA-N 0 3 284.316 -1.224 20 0 CAADHN Cn1oc(C(=O)NCCNCC(=O)N2CCCC2)cc1=O ZINC001126301560 775378009 /nfs/dbraw/zinc/37/80/09/775378009.db2.gz AQIDTLIUSPJMKG-UHFFFAOYSA-N 0 3 296.327 -1.080 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCCC(N)=O ZINC001268099227 775379160 /nfs/dbraw/zinc/37/91/60/775379160.db2.gz ZKAOTQORYQJJJZ-MRVPVSSYSA-N 0 3 258.322 -1.436 20 0 CAADHN Cn1oc(C(=O)NCCNCC(=O)NCC2CC2)cc1=O ZINC001126302112 775379237 /nfs/dbraw/zinc/37/92/37/775379237.db2.gz UITDTMYECGIUKE-UHFFFAOYSA-N 0 3 296.327 -1.176 20 0 CAADHN CN(C(=O)CNCCNC(=O)c1cc(=O)n(C)o1)C1CC1 ZINC001126301876 775379272 /nfs/dbraw/zinc/37/92/72/775379272.db2.gz JQVFOGAPZIVNHZ-UHFFFAOYSA-N 0 3 296.327 -1.082 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(N)=O)NCC(=O)N(C)C1CC1 ZINC001268217341 775384199 /nfs/dbraw/zinc/38/41/99/775384199.db2.gz VDNDOVFYHTXHKR-SNVBAGLBSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)C(C)C ZINC001268218004 775384216 /nfs/dbraw/zinc/38/42/16/775384216.db2.gz DSZDABFVAAUSGO-HZMBPMFUSA-N 0 3 298.387 -1.011 20 0 CAADHN CC(C)[C@H](CNC(=O)Cn1cnnn1)NCC(N)=O ZINC001268202721 775384644 /nfs/dbraw/zinc/38/46/44/775384644.db2.gz IXCYKCOQMPUMIC-QMMMGPOBSA-N 0 3 269.309 -2.111 20 0 CAADHN CC(C)[C@H](CNC(=O)C(N)=O)N[C@@H](C)C(=O)NC1CC1 ZINC001268217361 775384750 /nfs/dbraw/zinc/38/47/50/775384750.db2.gz VHCWSQGLTAJEJN-WPRPVWTQSA-N 0 3 284.360 -1.131 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001282184958 775385020 /nfs/dbraw/zinc/38/50/20/775385020.db2.gz LDKPKHRPDWZENM-IUCAKERBSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H]1CCCN(C(=O)CC(N)=O)[C@@H]1CNCC(N)=O ZINC001268189392 775385036 /nfs/dbraw/zinc/38/50/36/775385036.db2.gz UWYAYLOAZFJFGE-DTWKUNHWSA-N 0 3 270.333 -1.436 20 0 CAADHN C[C@@H](NC(=O)c1cn(C)c(=O)[nH]1)[C@H](C)NCC(N)=O ZINC001282186160 775385514 /nfs/dbraw/zinc/38/55/14/775385514.db2.gz STIMPUZYONRMQE-NKWVEPMBSA-N 0 3 269.305 -1.293 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001282186159 775386116 /nfs/dbraw/zinc/38/61/16/775386116.db2.gz STIMPUZYONRMQE-BQBZGAKWSA-N 0 3 269.305 -1.293 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@@H]1CCNC1=O ZINC001268245182 775386493 /nfs/dbraw/zinc/38/64/93/775386493.db2.gz MMSZEONYPRAWHZ-WDEREUQCSA-N 0 3 287.360 -1.480 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001282184989 775387655 /nfs/dbraw/zinc/38/76/55/775387655.db2.gz LDKPKHRPDWZENM-RKDXNWHRSA-N 0 3 284.360 -1.177 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)C1(C(N)=O)CC1 ZINC001268247913 775388278 /nfs/dbraw/zinc/38/82/78/775388278.db2.gz WKKLQEIHLRVDMG-SNVBAGLBSA-N 0 3 287.360 -1.351 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001282205453 775388408 /nfs/dbraw/zinc/38/84/08/775388408.db2.gz WRPQRNQKUNDFBN-RQJHMYQMSA-N 0 3 284.316 -1.993 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)C1(C(N)=O)CC1 ZINC001268247912 775389288 /nfs/dbraw/zinc/38/92/88/775389288.db2.gz WKKLQEIHLRVDMG-JTQLQIEISA-N 0 3 287.360 -1.351 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001268293341 775390981 /nfs/dbraw/zinc/39/09/81/775390981.db2.gz AXILKACOGMQXID-VIFPVBQESA-N 0 3 259.306 -2.022 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1=COCCO1 ZINC001268294277 775392291 /nfs/dbraw/zinc/39/22/91/775392291.db2.gz FQVURNWEUVBECM-ZETCQYMHSA-N 0 3 259.262 -2.573 20 0 CAADHN COCC(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001268293340 775391687 /nfs/dbraw/zinc/39/16/87/775391687.db2.gz AXILKACOGMQXID-SECBINFHSA-N 0 3 259.306 -2.022 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccccn1 ZINC001268294090 775391973 /nfs/dbraw/zinc/39/19/73/775391973.db2.gz DDGZZDROAAATMP-QMMMGPOBSA-N 0 3 252.274 -1.753 20 0 CAADHN CC(C)C(=O)NC[C@@H](O)CNCCNS(C)(=O)=O ZINC001268297407 775392177 /nfs/dbraw/zinc/39/21/77/775392177.db2.gz FKKDKTNCLBNUEB-VIFPVBQESA-N 0 3 281.378 -1.742 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccn[nH]1 ZINC001268296143 775392436 /nfs/dbraw/zinc/39/24/36/775392436.db2.gz BQNRRFQILWLMHX-JGVFFNPUSA-N 0 3 267.289 -2.022 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccc(F)nc1 ZINC001268295282 775392555 /nfs/dbraw/zinc/39/25/55/775392555.db2.gz CVDLGSOUEXAVEK-QMMMGPOBSA-N 0 3 270.264 -1.614 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)C(F)F ZINC001268294173 775392579 /nfs/dbraw/zinc/39/25/79/775392579.db2.gz KZOXLANLTLFRRB-PHDIDXHHSA-N 0 3 251.233 -1.793 20 0 CAADHN CN(CCNC[C@@H](O)CNC(=O)C1CC1)S(C)(=O)=O ZINC001268294872 775392611 /nfs/dbraw/zinc/39/26/11/775392611.db2.gz PGCBOAQUFZONOO-SNVBAGLBSA-N 0 3 293.389 -1.646 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccn[nH]1 ZINC001268296135 775392633 /nfs/dbraw/zinc/39/26/33/775392633.db2.gz BQNRRFQILWLMHX-HTQZYQBOSA-N 0 3 267.289 -2.022 20 0 CAADHN COCC(=O)NC[C@H](O)CNCc1ccnn1C ZINC001268294431 775393090 /nfs/dbraw/zinc/39/30/90/775393090.db2.gz NMTHTOQBMURLCW-SNVBAGLBSA-N 0 3 256.306 -1.367 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccccn1 ZINC001268294084 775393104 /nfs/dbraw/zinc/39/31/04/775393104.db2.gz DDGZZDROAAATMP-MRVPVSSYSA-N 0 3 252.274 -1.753 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccn[nH]1 ZINC001268296147 775393165 /nfs/dbraw/zinc/39/31/65/775393165.db2.gz BQNRRFQILWLMHX-YUMQZZPRSA-N 0 3 267.289 -2.022 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cccnc1 ZINC001268294617 775393193 /nfs/dbraw/zinc/39/31/93/775393193.db2.gz IKIYVJHJIAMPEZ-JTQLQIEISA-N 0 3 266.301 -1.492 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001268295285 775393264 /nfs/dbraw/zinc/39/32/64/775393264.db2.gz RLHHYDBLYBLQPH-DTWKUNHWSA-N 0 3 259.306 -2.070 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001268295605 775393372 /nfs/dbraw/zinc/39/33/72/775393372.db2.gz VCDYYZVFRCVHAI-ZJUUUORDSA-N 0 3 283.328 -1.342 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001268295602 775393545 /nfs/dbraw/zinc/39/35/45/775393545.db2.gz VCDYYZVFRCVHAI-UWVGGRQHSA-N 0 3 283.328 -1.342 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)/C=C/c1ccc[nH]1 ZINC001268304540 775393950 /nfs/dbraw/zinc/39/39/50/775393950.db2.gz OCNORHWFFYSTDN-SGUJLRQBSA-N 0 3 280.328 -1.159 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)/C=C/c1ccc[nH]1 ZINC001268304542 775394467 /nfs/dbraw/zinc/39/44/67/775394467.db2.gz OCNORHWFFYSTDN-ZWNMCFTASA-N 0 3 280.328 -1.159 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cn[nH]c1 ZINC001268300699 775394597 /nfs/dbraw/zinc/39/45/97/775394597.db2.gz QMDJECMNUOETJP-DTWKUNHWSA-N 0 3 267.289 -2.022 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)CC(N)=O)C1=O ZINC001268301085 775394619 /nfs/dbraw/zinc/39/46/19/775394619.db2.gz WUCAPVZIHQIXSX-SFYZADRCSA-N 0 3 272.305 -2.841 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001268304560 775395082 /nfs/dbraw/zinc/39/50/82/775395082.db2.gz OMRTXBFXOPXMDP-NSHDSACASA-N 0 3 297.359 -1.487 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1ccco1 ZINC001268302586 775395199 /nfs/dbraw/zinc/39/51/99/775395199.db2.gz WWZSTMDQTFIVKQ-SECBINFHSA-N 0 3 269.301 -1.236 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1cccnc1 ZINC001268302565 775395208 /nfs/dbraw/zinc/39/52/08/775395208.db2.gz SJAYQYQKGJOOIO-SNVBAGLBSA-N 0 3 266.301 -1.824 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CN[C@H]2CCC(=O)NC2=O)CC1 ZINC001268308888 775395784 /nfs/dbraw/zinc/39/57/84/775395784.db2.gz SKMXLMXSUPNJRO-IUCAKERBSA-N 0 3 283.328 -1.342 20 0 CAADHN CC1(C(=O)NC[C@H](O)CN[C@H]2CCC(=O)NC2=O)CC1 ZINC001268308884 775396677 /nfs/dbraw/zinc/39/66/77/775396677.db2.gz SKMXLMXSUPNJRO-BDAKNGLRSA-N 0 3 283.328 -1.342 20 0 CAADHN CC1(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001268308374 775396779 /nfs/dbraw/zinc/39/67/79/775396779.db2.gz OXSNTNWWPGWKHJ-BDAKNGLRSA-N 0 3 255.318 -1.258 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001268308179 775396964 /nfs/dbraw/zinc/39/69/64/775396964.db2.gz YGNAHPMJEGVKKU-VIFPVBQESA-N 0 3 269.305 -2.106 20 0 CAADHN CC1(C(=O)NC[C@H](O)CN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001268308890 775397148 /nfs/dbraw/zinc/39/71/48/775397148.db2.gz SKMXLMXSUPNJRO-RKDXNWHRSA-N 0 3 283.328 -1.342 20 0 CAADHN CC[C@]1(C(=O)NC[C@@H](O)CNCCF)CCNC1=O ZINC001268307550 775397922 /nfs/dbraw/zinc/39/79/22/775397922.db2.gz HKPYWYHFVIRMGV-CABZTGNLSA-N 0 3 275.324 -1.061 20 0 CAADHN COCCC[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001268312579 775398272 /nfs/dbraw/zinc/39/82/72/775398272.db2.gz YNHPYLROIXVCKZ-VIFPVBQESA-N 0 3 284.316 -1.101 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001268311703 775399695 /nfs/dbraw/zinc/39/96/95/775399695.db2.gz NNVIDYCRTNFWOL-QMMMGPOBSA-N 0 3 288.348 -2.299 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001268317064 775401192 /nfs/dbraw/zinc/40/11/92/775401192.db2.gz OYACFLJPLVQLHF-OUAUKWLOSA-N 0 3 269.345 -1.059 20 0 CAADHN CS(=O)(=O)CCNC[C@H](O)CNC(=O)c1cnco1 ZINC001268317892 775401301 /nfs/dbraw/zinc/40/13/01/775401301.db2.gz NILSKRFGZXDAHK-QMMMGPOBSA-N 0 3 291.329 -1.601 20 0 CAADHN NC(=O)C1(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)CC1 ZINC001268322566 775403068 /nfs/dbraw/zinc/40/30/68/775403068.db2.gz MNOUBORFVCOGOW-SECBINFHSA-N 0 3 298.343 -2.403 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1ccco1 ZINC001268327379 775403136 /nfs/dbraw/zinc/40/31/36/775403136.db2.gz QTSJQOKFXPQCTD-MRVPVSSYSA-N 0 3 255.274 -1.626 20 0 CAADHN O=C(CCn1cnnn1)NC[C@H](O)CNCCF ZINC001268327031 775403168 /nfs/dbraw/zinc/40/31/68/775403168.db2.gz OVCSWANRLKOHLA-MRVPVSSYSA-N 0 3 260.273 -1.901 20 0 CAADHN NC(=O)C(=O)NC[C@@H](O)CNCC(=O)NCC1CC1 ZINC001268322453 775403331 /nfs/dbraw/zinc/40/33/31/775403331.db2.gz MAFYKUKZOOTNNJ-QMMMGPOBSA-N 0 3 272.305 -2.935 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CC(C)(F)F ZINC001268322509 775403534 /nfs/dbraw/zinc/40/35/34/775403534.db2.gz KETZYTPLUVCBNY-SSDOTTSWSA-N 0 3 267.276 -1.156 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C(C1CC1)C1CC1 ZINC001268327581 775403587 /nfs/dbraw/zinc/40/35/87/775403587.db2.gz JMCLCHAZSFWVED-JTQLQIEISA-N 0 3 269.345 -1.025 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NC[C@H](O)CNCCF)c1 ZINC001268324839 775403716 /nfs/dbraw/zinc/40/37/16/775403716.db2.gz ADHGPLMRPNSWEH-MRVPVSSYSA-N 0 3 272.280 -1.237 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001268328389 775405407 /nfs/dbraw/zinc/40/54/07/775405407.db2.gz XVYNIEGTCDRYPW-QMMMGPOBSA-N 0 3 269.305 -2.235 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001268328385 775405428 /nfs/dbraw/zinc/40/54/28/775405428.db2.gz XVYNIEGTCDRYPW-MRVPVSSYSA-N 0 3 269.305 -2.235 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccn(C)n1)C(N)=O ZINC001268336749 775406531 /nfs/dbraw/zinc/40/65/31/775406531.db2.gz WBXLMQLBKFSFAW-HTQZYQBOSA-N 0 3 269.305 -2.026 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccn(C)n1)C(N)=O ZINC001268336760 775406565 /nfs/dbraw/zinc/40/65/65/775406565.db2.gz WBXLMQLBKFSFAW-YUMQZZPRSA-N 0 3 269.305 -2.026 20 0 CAADHN NC(=O)NCCC(=O)NC[C@@H](O)CNCCF ZINC001268335057 775406984 /nfs/dbraw/zinc/40/69/84/775406984.db2.gz JCLHEKYPXDORPN-ZETCQYMHSA-N 0 3 250.274 -1.919 20 0 CAADHN CNC(=O)[C@H](C)CN(C)S(=O)(=O)N1CCNCC1 ZINC000234381089 775407164 /nfs/dbraw/zinc/40/71/64/775407164.db2.gz SYHDTMVIFDXRHB-SECBINFHSA-N 0 3 278.378 -1.550 20 0 CAADHN Cn1nc(C(=O)NC[C@H](O)CNCCF)ccc1=O ZINC001268331018 775407288 /nfs/dbraw/zinc/40/72/88/775407288.db2.gz FDYJFVGESIMTBO-MRVPVSSYSA-N 0 3 272.280 -1.570 20 0 CAADHN Cc1cc(NC(=O)CNCC[C@H](C)NC(=O)C(N)=O)no1 ZINC001268396896 775411558 /nfs/dbraw/zinc/41/15/58/775411558.db2.gz XWPVHQVCOWAHEL-ZETCQYMHSA-N 0 3 297.315 -1.109 20 0 CAADHN CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114946996 775411625 /nfs/dbraw/zinc/41/16/25/775411625.db2.gz CKDLSNMCXDKQEM-GDGBQDQQSA-N 0 3 255.318 -1.497 20 0 CAADHN CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001268440828 775413557 /nfs/dbraw/zinc/41/35/57/775413557.db2.gz OUDQTUPIGRYLHS-MRVPVSSYSA-N 0 3 284.316 -1.895 20 0 CAADHN CCNC(=O)CNCCN(CC)C(=O)[C@H]1CCC(=O)N1 ZINC001268437847 775413938 /nfs/dbraw/zinc/41/39/38/775413938.db2.gz AIHLJPHBEULAKQ-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CCn1cncn1 ZINC001268436029 775414490 /nfs/dbraw/zinc/41/44/90/775414490.db2.gz SCXGOONLKWDSFN-UHFFFAOYSA-N 0 3 268.321 -1.408 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)[C@H]1COC(=O)N1 ZINC001268449205 775414613 /nfs/dbraw/zinc/41/46/13/775414613.db2.gz VONDHUYPJKZVKI-SECBINFHSA-N 0 3 286.332 -1.379 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cnnn1C ZINC001268449469 775415918 /nfs/dbraw/zinc/41/59/18/775415918.db2.gz UJJNVHQHNZDXQD-UHFFFAOYSA-N 0 3 254.294 -1.648 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1ccn2nnnc2c1 ZINC001268468354 775417811 /nfs/dbraw/zinc/41/78/11/775417811.db2.gz CYWNRCIKOJJQIK-UHFFFAOYSA-N 0 3 291.315 -1.339 20 0 CAADHN CCN(CCNCC(=O)NC1CC1)C(=O)CNC(=O)NC ZINC001268456692 775418174 /nfs/dbraw/zinc/41/81/74/775418174.db2.gz MDLSETRDSVRJTF-UHFFFAOYSA-N 0 3 299.375 -1.368 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)c1cc(=O)n(C)cn1 ZINC001268458441 775418359 /nfs/dbraw/zinc/41/83/59/775418359.db2.gz BUCGKWRGEJMPRN-UHFFFAOYSA-N 0 3 295.343 -1.422 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)c1nnn(C)n1 ZINC001268470351 775419281 /nfs/dbraw/zinc/41/92/81/775419281.db2.gz ATXGMGCPYYPSLV-SSDOTTSWSA-N 0 3 269.309 -1.864 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001268472000 775420117 /nfs/dbraw/zinc/42/01/17/775420117.db2.gz MUMGQORXMOTLHD-JZYVYDRUSA-N 0 3 255.318 -1.198 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cn(C)nc1OC ZINC001268470556 775420539 /nfs/dbraw/zinc/42/05/39/775420539.db2.gz WZXFLUSTHOSQPZ-UHFFFAOYSA-N 0 3 283.332 -1.034 20 0 CAADHN CCCNC(=O)CNCCN(CC)C(=O)c1nnn(C)n1 ZINC001268471020 775420872 /nfs/dbraw/zinc/42/08/72/775420872.db2.gz JQBRCHIIVYGGGI-UHFFFAOYSA-N 0 3 297.363 -1.212 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)c1nc[nH]n1 ZINC001268489664 775421382 /nfs/dbraw/zinc/42/13/82/775421382.db2.gz MKMOVLWBQDAQTH-SSDOTTSWSA-N 0 3 254.294 -1.270 20 0 CAADHN COCCC(=O)NC/C=C/CN[C@H](C)C(=O)NC(N)=O ZINC001268503096 775424229 /nfs/dbraw/zinc/42/42/29/775424229.db2.gz RSXPSDORLSEXGH-CDAZIORVSA-N 0 3 286.332 -1.132 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cc(C(N)=O)ccn1 ZINC001268501811 775424634 /nfs/dbraw/zinc/42/46/34/775424634.db2.gz DGBNPIVSTUPHOL-UHFFFAOYSA-N 0 3 293.327 -1.283 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)CS(=O)(=O)NC ZINC001268498136 775424792 /nfs/dbraw/zinc/42/47/92/775424792.db2.gz MPQKAKOPRWUVBM-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN CN1CCO[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001075643642 775425635 /nfs/dbraw/zinc/42/56/35/775425635.db2.gz GJESPICCRWEUFG-XQQFMLRXSA-N 0 3 283.372 -1.158 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@@H]1CCOC1)C(=O)NC(N)=O ZINC001268520454 775425771 /nfs/dbraw/zinc/42/57/71/775425771.db2.gz ASPILSNFJYKWRT-MDCNRGEUSA-N 0 3 298.343 -1.132 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)c1cn(C)nn1)C(N)=O ZINC001268533971 775427174 /nfs/dbraw/zinc/42/71/74/775427174.db2.gz SQJWPVIEZJWOPW-MPJRPATESA-N 0 3 266.305 -1.436 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)c1cn(C)nn1)C(N)=O ZINC001268534015 775427671 /nfs/dbraw/zinc/42/76/71/775427671.db2.gz SQJWPVIEZJWOPW-TUUFMJSCSA-N 0 3 266.305 -1.436 20 0 CAADHN CN1CC[C@H](NC/C=C/CNC(=O)Cn2ncnn2)C1=O ZINC001268539305 775429172 /nfs/dbraw/zinc/42/91/72/775429172.db2.gz RSVCGFBSXMUIQE-PBKGFPTLSA-N 0 3 293.331 -1.834 20 0 CAADHN CN1CC[C@@H](NC/C=C\CNC(=O)Cn2ncnn2)C1=O ZINC001268539304 775429383 /nfs/dbraw/zinc/42/93/83/775429383.db2.gz RSVCGFBSXMUIQE-MXQLGCADSA-N 0 3 293.331 -1.834 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001268560283 775432151 /nfs/dbraw/zinc/43/21/51/775432151.db2.gz XOISUSODCSHTDH-NWALNABHSA-N 0 3 296.331 -2.282 20 0 CAADHN COC(=O)c1c[n-]c2nc(NC(CO)(CO)CO)[nH+]cc12 ZINC001167924122 775433633 /nfs/dbraw/zinc/43/36/33/775433633.db2.gz MNIBETKCPPTNED-UHFFFAOYSA-N 0 3 296.283 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268573114 775434749 /nfs/dbraw/zinc/43/47/49/775434749.db2.gz DWWDQQXMRKAXJL-AWAZDUCLSA-N 0 3 297.359 -1.594 20 0 CAADHN CC[C@H](NC/C=C\CNC(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001268576979 775434896 /nfs/dbraw/zinc/43/48/96/775434896.db2.gz XYNNWDZBIPGECU-YVDHIRPGSA-N 0 3 297.359 -1.464 20 0 CAADHN CC[C@H](NC/C=C/CNC(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001268576976 775434902 /nfs/dbraw/zinc/43/49/02/775434902.db2.gz XYNNWDZBIPGECU-AWAZDUCLSA-N 0 3 297.359 -1.464 20 0 CAADHN CC[C@@H](NC/C=C/CNC(=O)c1nnn(C)n1)C(N)=O ZINC001268577990 775434937 /nfs/dbraw/zinc/43/49/37/775434937.db2.gz GYEHXIFPUNSFKY-WTSVBCDHSA-N 0 3 281.320 -1.650 20 0 CAADHN OCC(CO)(CO)Nc1ccc2c(n1)OCCNC2 ZINC001167924532 775435066 /nfs/dbraw/zinc/43/50/66/775435066.db2.gz XTBGBJUIVMRXMI-UHFFFAOYSA-N 0 3 269.301 -1.309 20 0 CAADHN CC[C@H](NC/C=C/CNC(=O)c1nnn(C)n1)C(N)=O ZINC001268577991 775435118 /nfs/dbraw/zinc/43/51/18/775435118.db2.gz GYEHXIFPUNSFKY-ZJELKQJVSA-N 0 3 281.320 -1.650 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001268576233 775435130 /nfs/dbraw/zinc/43/51/30/775435130.db2.gz UIEUWHDFHHKOTI-HNRDENNGSA-N 0 3 283.332 -1.854 20 0 CAADHN CCCN1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083330589 775435374 /nfs/dbraw/zinc/43/53/74/775435374.db2.gz BIPYZQWTNPSLOG-BDAKNGLRSA-N 0 3 254.294 -1.756 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001268576220 775435471 /nfs/dbraw/zinc/43/54/71/775435471.db2.gz UIEUWHDFHHKOTI-DXMIZCBPSA-N 0 3 283.332 -1.854 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001268573119 775435485 /nfs/dbraw/zinc/43/54/85/775435485.db2.gz DWWDQQXMRKAXJL-YVDHIRPGSA-N 0 3 297.359 -1.594 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001268573118 775435583 /nfs/dbraw/zinc/43/55/83/775435583.db2.gz DWWDQQXMRKAXJL-OCIBVNFRSA-N 0 3 297.359 -1.594 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001268584052 775436114 /nfs/dbraw/zinc/43/61/14/775436114.db2.gz IGBRVAIICLSQFY-YWUCGTOHSA-N 0 3 269.305 -2.196 20 0 CAADHN CCCNC(=O)[C@@H](C)NC/C=C\CNC(=O)C(N)=O ZINC001268585281 775436328 /nfs/dbraw/zinc/43/63/28/775436328.db2.gz NNIWRAWNQKVXGT-XRVBUDJMSA-N 0 3 270.333 -1.352 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001268584049 775436859 /nfs/dbraw/zinc/43/68/59/775436859.db2.gz IGBRVAIICLSQFY-RIAPOHOLSA-N 0 3 269.305 -2.196 20 0 CAADHN CCCNC(=O)[C@H](C)NC/C=C/CNC(=O)C(N)=O ZINC001268585278 775436923 /nfs/dbraw/zinc/43/69/23/775436923.db2.gz NNIWRAWNQKVXGT-MOVJSRMASA-N 0 3 270.333 -1.352 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001268584043 775437050 /nfs/dbraw/zinc/43/70/50/775437050.db2.gz IGBRVAIICLSQFY-HZHJCBGQSA-N 0 3 269.305 -2.196 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083331211 775437293 /nfs/dbraw/zinc/43/72/93/775437293.db2.gz YFNXIHXQLCPBPS-ZJUUUORDSA-N 0 3 268.321 -1.510 20 0 CAADHN CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)CNC(N)=O ZINC001211833738 775438964 /nfs/dbraw/zinc/43/89/64/775438964.db2.gz KXEBBDUIZFOPNQ-NXEZZACHSA-N 0 3 270.333 -1.120 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001268590884 775439696 /nfs/dbraw/zinc/43/96/96/775439696.db2.gz KJBQHFOVEGUXML-FPSIUDEGSA-N 0 3 282.344 -1.496 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@@H]1COCCO1 ZINC001083347912 775444040 /nfs/dbraw/zinc/44/40/40/775444040.db2.gz QLKQWASAJKTFBW-WOPDTQHZSA-N 0 3 270.329 -1.027 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@H]1COCCO1 ZINC001083347911 775445149 /nfs/dbraw/zinc/44/51/49/775445149.db2.gz QLKQWASAJKTFBW-GRYCIOLGSA-N 0 3 270.329 -1.027 20 0 CAADHN COCCN1C[C@@H](NC(=O)[C@H]2CCCN2C)[C@@H](O)C1 ZINC001083373024 775452343 /nfs/dbraw/zinc/45/23/43/775452343.db2.gz ONFAPMSIOGQQLK-UTUOFQBUSA-N 0 3 271.361 -1.112 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@H]1CCC(=O)N1 ZINC001083371888 775452894 /nfs/dbraw/zinc/45/28/94/775452894.db2.gz PQYSAPKBHWAEOP-MXWKQRLJSA-N 0 3 267.329 -1.164 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)C1 ZINC001083385013 775454468 /nfs/dbraw/zinc/45/44/68/775454468.db2.gz BKHKITKYMWUFCC-AGIUHOORSA-N 0 3 283.372 -1.112 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001083385262 775455665 /nfs/dbraw/zinc/45/56/65/775455665.db2.gz IXDMPFXXLOFDBF-GRYCIOLGSA-N 0 3 271.361 -1.113 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C2CCC1CC2 ZINC001161604000 775457191 /nfs/dbraw/zinc/45/71/91/775457191.db2.gz KWZIJDNHBUWRPR-NFTFJBJSSA-N 0 3 282.344 -1.153 20 0 CAADHN CC[C@H](C(=O)N[C@@H](C)CNC(=O)CC(N)=O)N(C)C ZINC001284213807 775459185 /nfs/dbraw/zinc/45/91/85/775459185.db2.gz PBBOQPGDVXBFPD-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN CN1CC[C@H](NC/C=C\CNC(=O)CCNC(N)=O)C1=O ZINC001268623941 775459257 /nfs/dbraw/zinc/45/92/57/775459257.db2.gz URDAMNGRRORCSM-ZMWSMAPVSA-N 0 3 297.359 -1.463 20 0 CAADHN CCNC(=O)CNC/C=C/CNC(=O)Cc1nc[nH]n1 ZINC001268615093 775459452 /nfs/dbraw/zinc/45/94/52/775459452.db2.gz VYRLDAMRRGQSSF-ONEGZZNKSA-N 0 3 280.332 -1.255 20 0 CAADHN CN1CC[C@H](NC/C=C/CNC(=O)CCNC(N)=O)C1=O ZINC001268623937 775459532 /nfs/dbraw/zinc/45/95/32/775459532.db2.gz URDAMNGRRORCSM-PBKGFPTLSA-N 0 3 297.359 -1.463 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001268630984 775459865 /nfs/dbraw/zinc/45/98/65/775459865.db2.gz UOVJVGQXPNRQPA-MOVJSRMASA-N 0 3 295.343 -1.527 20 0 CAADHN CCN1CCO[C@H](C(=O)NC/C=C/CNCC(N)=O)C1 ZINC001268628379 775460157 /nfs/dbraw/zinc/46/01/57/775460157.db2.gz MTOSUOOUGUTRPI-UFFNRZRYSA-N 0 3 284.360 -1.546 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1ccnn1C ZINC001126393080 775460675 /nfs/dbraw/zinc/46/06/75/775460675.db2.gz KLGCCQNOLRIXEV-UHFFFAOYSA-N 0 3 253.306 -1.586 20 0 CAADHN Cn1nccc1CC(=O)NCCNCC(=O)NC(N)=O ZINC001126392917 775460740 /nfs/dbraw/zinc/46/07/40/775460740.db2.gz DLQROLNLLPNTTR-UHFFFAOYSA-N 0 3 282.304 -2.137 20 0 CAADHN CCn1cc(C(=O)N(CCO)CCNCC(N)=O)nn1 ZINC001279869957 775461057 /nfs/dbraw/zinc/46/10/57/775461057.db2.gz WFVWWQAZQDZXFY-UHFFFAOYSA-N 0 3 284.320 -2.193 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCn1cncn1 ZINC001268637186 775461549 /nfs/dbraw/zinc/46/15/49/775461549.db2.gz AEMGFHQKSITCDX-BDAKNGLRSA-N 0 3 268.321 -1.364 20 0 CAADHN CCNC(=O)CC(=O)N[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001268641964 775461642 /nfs/dbraw/zinc/46/16/42/775461642.db2.gz MGTRZOCWJWJCMF-BDAKNGLRSA-N 0 3 298.343 -1.588 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cc1ccnn1C ZINC001126393010 775461678 /nfs/dbraw/zinc/46/16/78/775461678.db2.gz IPTIJZOGEXTGOS-UHFFFAOYSA-N 0 3 267.333 -1.243 20 0 CAADHN CO[C@H](C)C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001268638811 775461711 /nfs/dbraw/zinc/46/17/11/775461711.db2.gz FPOCJYXKKXUWKV-RNFRBKRXSA-N 0 3 260.294 -1.690 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cc1ccnn1C ZINC001126393463 775461942 /nfs/dbraw/zinc/46/19/42/775461942.db2.gz UVKQFUIYVVVCES-UHFFFAOYSA-N 0 3 267.333 -1.196 20 0 CAADHN COCCC(=O)N[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001268635476 775461979 /nfs/dbraw/zinc/46/19/79/775461979.db2.gz CWPUPJNMPPGJBF-RKDXNWHRSA-N 0 3 271.317 -1.078 20 0 CAADHN C[C@H](CNCCNS(C)(=O)=O)NC(=O)C(N)=O ZINC001268660380 775464819 /nfs/dbraw/zinc/46/48/19/775464819.db2.gz MUCUMDGYLMKXSK-ZCFIWIBFSA-N 0 3 266.323 -2.885 20 0 CAADHN Cn1nccc1CC(=O)NCCN[C@H]1CCCNC1=O ZINC001126393182 775462164 /nfs/dbraw/zinc/46/21/64/775462164.db2.gz MMVWSOLFBXDUSC-NSHDSACASA-N 0 3 279.344 -1.053 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCn1cncn1 ZINC001268637187 775462185 /nfs/dbraw/zinc/46/21/85/775462185.db2.gz AEMGFHQKSITCDX-RKDXNWHRSA-N 0 3 268.321 -1.364 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001268657784 775462715 /nfs/dbraw/zinc/46/27/15/775462715.db2.gz IJOOROJMFHAFBO-VFCFLDTKSA-N 0 3 255.318 -1.153 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268648267 775462737 /nfs/dbraw/zinc/46/27/37/775462737.db2.gz AJPIJPZOVUPNGB-CSMHCCOUSA-N 0 3 299.331 -2.187 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N[C@@H](C)CNCC(N)=O ZINC001268705709 775469781 /nfs/dbraw/zinc/46/97/81/775469781.db2.gz RYRDTTSGHOPPIG-CBAPKCEASA-N 0 3 258.322 -1.519 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N[C@H](C)CNCC(N)=O ZINC001268646620 775463510 /nfs/dbraw/zinc/46/35/10/775463510.db2.gz GGQOUWOYIULOLI-HTQZYQBOSA-N 0 3 258.322 -1.519 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N1CCCCC1)NC(=O)C(N)=O ZINC001268660621 775464366 /nfs/dbraw/zinc/46/43/66/775464366.db2.gz SPPPZDWIKUJSLA-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NCc1ccco1)NC(=O)C(N)=O ZINC001268660105 775464628 /nfs/dbraw/zinc/46/46/28/775464628.db2.gz FEQYJVLIAZAXDG-RKDXNWHRSA-N 0 3 296.327 -1.136 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)C(=O)NCC1CC1)C(N)=O ZINC001268667850 775464742 /nfs/dbraw/zinc/46/47/42/775464742.db2.gz ZHKYIPXXEPOVND-SCZZXKLOSA-N 0 3 284.360 -1.129 20 0 CAADHN Cc1nonc1CC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001268668425 775465022 /nfs/dbraw/zinc/46/50/22/775465022.db2.gz XVFYXVXZWIWCEX-SVRRBLITSA-N 0 3 269.305 -1.111 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)Cc1ncc[nH]1 ZINC001268667263 775465171 /nfs/dbraw/zinc/46/51/71/775465171.db2.gz KYFHJNRYAGBBCP-RKDXNWHRSA-N 0 3 293.327 -1.148 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCn1cnnn1 ZINC001268667422 775465199 /nfs/dbraw/zinc/46/51/99/775465199.db2.gz UWUZWPPQNWJNSG-HTQZYQBOSA-N 0 3 269.309 -1.969 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@H](C)CNCCF)C(N)=O ZINC001268665709 775465328 /nfs/dbraw/zinc/46/53/28/775465328.db2.gz NMWOXSQCPVASBQ-APPZFPTMSA-N 0 3 276.312 -1.570 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001268659994 775465465 /nfs/dbraw/zinc/46/54/65/775465465.db2.gz KPQSOQQIMIAWEV-SECBINFHSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)C1(C(N)=O)CC1 ZINC001268660724 775465686 /nfs/dbraw/zinc/46/56/86/775465686.db2.gz XMCVYLPNPUMSSJ-SECBINFHSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1ccncn1 ZINC001268667565 775465713 /nfs/dbraw/zinc/46/57/13/775465713.db2.gz YXUVVYUTUJKJBB-RKDXNWHRSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@@H](CNCCF)NC(=O)CCNS(C)(=O)=O ZINC001268688909 775466201 /nfs/dbraw/zinc/46/62/01/775466201.db2.gz LHFWDLNDIKIHFY-QMMMGPOBSA-N 0 3 269.342 -1.011 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)C1=COCCO1 ZINC001268679542 775466324 /nfs/dbraw/zinc/46/63/24/775466324.db2.gz IIDZOHJXCCPNSA-IUCAKERBSA-N 0 3 297.311 -1.226 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001268681143 775466385 /nfs/dbraw/zinc/46/63/85/775466385.db2.gz BSYSOVRGRFVRTQ-VIFPVBQESA-N 0 3 284.360 -1.115 20 0 CAADHN CC(C)[C@@H](O)C(=O)N[C@@H](C)CNCCNS(C)(=O)=O ZINC001268686033 775466533 /nfs/dbraw/zinc/46/65/33/775466533.db2.gz XPMUQAVEVSMWLP-VHSXEESVSA-N 0 3 295.405 -1.353 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001268675666 775466633 /nfs/dbraw/zinc/46/66/33/775466633.db2.gz FODNLHITWPKBLI-HTQZYQBOSA-N 0 3 284.316 -2.121 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1ncn(C)n1 ZINC001268685225 775466643 /nfs/dbraw/zinc/46/66/43/775466643.db2.gz GRZKIPVNIFOQSO-YUMQZZPRSA-N 0 3 266.305 -1.589 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)Cn1ccnc1 ZINC001268675765 775466947 /nfs/dbraw/zinc/46/69/47/775466947.db2.gz FSXPRUQFIPJTSN-NXEZZACHSA-N 0 3 265.317 -1.134 20 0 CAADHN CC(C)C[C@H](C(N)=O)C(=O)N[C@H](C)CNCC(N)=O ZINC001268675675 775467045 /nfs/dbraw/zinc/46/70/45/775467045.db2.gz FRBBPOJUSHTBIX-RKDXNWHRSA-N 0 3 272.349 -1.286 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001268675967 775467114 /nfs/dbraw/zinc/46/71/14/775467114.db2.gz MFVNWWYOCGDXQP-RNFRBKRXSA-N 0 3 270.289 -2.381 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cnnn1C ZINC001268685184 775467223 /nfs/dbraw/zinc/46/72/23/775467223.db2.gz FDXMKGASOGFYKY-YUMQZZPRSA-N 0 3 294.315 -1.672 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001268675667 775467378 /nfs/dbraw/zinc/46/73/78/775467378.db2.gz FODNLHITWPKBLI-SFYZADRCSA-N 0 3 284.316 -2.121 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ncn(C)n1 ZINC001268685773 775467399 /nfs/dbraw/zinc/46/73/99/775467399.db2.gz SBSMFVRJGZZUSF-BQBZGAKWSA-N 0 3 254.294 -1.603 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001268691829 775468225 /nfs/dbraw/zinc/46/82/25/775468225.db2.gz NLGPTLLOJNZGCV-ZETCQYMHSA-N 0 3 267.289 -1.364 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)C(C)(C)C(N)=O ZINC001268689734 775468431 /nfs/dbraw/zinc/46/84/31/775468431.db2.gz GFCBOQOPLAHNEY-QMMMGPOBSA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cn(C)ccc1=O ZINC001268695081 775468522 /nfs/dbraw/zinc/46/85/22/775468522.db2.gz LFAPTVOCECUYOB-QMMMGPOBSA-N 0 3 266.301 -1.422 20 0 CAADHN C[C@@H](C[NH2+]CC(N)=O)NC(=O)c1cnc[n-]c1=O ZINC001268692115 775468665 /nfs/dbraw/zinc/46/86/65/775468665.db2.gz YOBDFGVEAXQKKQ-LURJTMIESA-N 0 3 253.262 -1.625 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)Cc2ccnn2C)C1=O ZINC001126397909 775469724 /nfs/dbraw/zinc/46/97/24/775469724.db2.gz MUPIEHXHFYNHRL-LLVKDONJSA-N 0 3 279.344 -1.101 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](C)CN[C@H]2CCN(C)C2=O)CC1 ZINC001268708254 775469838 /nfs/dbraw/zinc/46/98/38/775469838.db2.gz CTHUNHUKNJSXHB-UWVGGRQHSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCCn1cncn1 ZINC001268711256 775469860 /nfs/dbraw/zinc/46/98/60/775469860.db2.gz VXXXZORTIQPZMV-VIFPVBQESA-N 0 3 268.321 -1.362 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H](COC)OC ZINC001268703409 775469992 /nfs/dbraw/zinc/46/99/92/775469992.db2.gz MYPSTRMPIRNGLK-IUCAKERBSA-N 0 3 261.322 -1.512 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001268714389 775470242 /nfs/dbraw/zinc/47/02/42/775470242.db2.gz BDRVDQHRTAFLQA-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1nnn(C)n1 ZINC001268701230 775470608 /nfs/dbraw/zinc/47/06/08/775470608.db2.gz YJRBDSLAMZRWHY-ZETCQYMHSA-N 0 3 269.309 -1.994 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1ccn(C)n1 ZINC001268715910 775471425 /nfs/dbraw/zinc/47/14/25/775471425.db2.gz SQCXHYZMZGAHEJ-IUCAKERBSA-N 0 3 293.327 -1.067 20 0 CAADHN Cn1nccc1CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126398113 775471504 /nfs/dbraw/zinc/47/15/04/775471504.db2.gz QIXQQIIGPBQAEB-SNVBAGLBSA-N 0 3 293.327 -1.526 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268733394 775471831 /nfs/dbraw/zinc/47/18/31/775471831.db2.gz HOQNMXFUYXRJSF-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CN(C)CCO)C1 ZINC001268730852 775472224 /nfs/dbraw/zinc/47/22/24/775472224.db2.gz XGJJXXPUIRJAEW-SECBINFHSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)CC(N)=O ZINC001268726451 775472156 /nfs/dbraw/zinc/47/21/56/775472156.db2.gz QGTQPGUJGCNYRW-SECBINFHSA-N 0 3 268.321 -1.410 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268733393 775472342 /nfs/dbraw/zinc/47/23/42/775472342.db2.gz HOQNMXFUYXRJSF-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CN(C)CCOCCO)NC(=O)c1c[nH]c(=O)cn1 ZINC001268742962 775472797 /nfs/dbraw/zinc/47/27/97/775472797.db2.gz MYZSCMCKFIJJTE-SNVBAGLBSA-N 0 3 298.343 -1.171 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](C)CN(C)CCO)CC1 ZINC001268749683 775474104 /nfs/dbraw/zinc/47/41/04/775474104.db2.gz CBPRWPJBDNNOOI-SECBINFHSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C(N)=O ZINC001284444551 775496634 /nfs/dbraw/zinc/49/66/34/775496634.db2.gz KZVMZYWDKWWBDZ-RQJHMYQMSA-N 0 3 258.278 -3.231 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NCC1CN(CCCO)C1 ZINC001268837655 775476693 /nfs/dbraw/zinc/47/66/93/775476693.db2.gz BCTSAVBXEJXRRS-VIFPVBQESA-N 0 3 284.316 -1.985 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001268905425 775480648 /nfs/dbraw/zinc/48/06/48/775480648.db2.gz BCDDZGSSLFERGH-SECBINFHSA-N 0 3 283.328 -1.436 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NCC1CN(CCCO)C1 ZINC001268905664 775480669 /nfs/dbraw/zinc/48/06/69/775480669.db2.gz DLWHMNAIEFAPQA-UHFFFAOYSA-N 0 3 284.316 -2.031 20 0 CAADHN CN(C)CCN1CC2(CN(C(=O)CCO)C2)OCC1=O ZINC001269048544 775485986 /nfs/dbraw/zinc/48/59/86/775485986.db2.gz VLIMBPBKGPIBGA-UHFFFAOYSA-N 0 3 285.344 -1.630 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001269061192 775487457 /nfs/dbraw/zinc/48/74/57/775487457.db2.gz FKZAYAGODBAMPD-BDAKNGLRSA-N 0 3 255.318 -1.177 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1CCCNC1=O)C1CC1 ZINC001269080039 775488617 /nfs/dbraw/zinc/48/86/17/775488617.db2.gz XBKGWWIUQRKEKT-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1CCCNC1=O)C1CC1 ZINC001269080038 775488925 /nfs/dbraw/zinc/48/89/25/775488925.db2.gz XBKGWWIUQRKEKT-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001269110854 775490345 /nfs/dbraw/zinc/49/03/45/775490345.db2.gz PBGQUGYESMETHL-JGVFFNPUSA-N 0 3 269.305 -2.363 20 0 CAADHN CC(C)N1CC[C@H](NC[C@@H](NC(=O)C(N)=O)C2CC2)C1=O ZINC001269111442 775490618 /nfs/dbraw/zinc/49/06/18/775490618.db2.gz UGKYRWHCUSGNTF-WDEREUQCSA-N 0 3 296.371 -1.035 20 0 CAADHN CC(C)N1CC[C@H](NC[C@H](NC(=O)C(N)=O)C2CC2)C1=O ZINC001269111441 775490933 /nfs/dbraw/zinc/49/09/33/775490933.db2.gz UGKYRWHCUSGNTF-QWRGUYRKSA-N 0 3 296.371 -1.035 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001269110855 775491006 /nfs/dbraw/zinc/49/10/06/775491006.db2.gz PBGQUGYESMETHL-SFYZADRCSA-N 0 3 269.305 -2.363 20 0 CAADHN O=C(Cc1cncnc1)NCCNCC(=O)N1CCC1 ZINC001126402941 775491634 /nfs/dbraw/zinc/49/16/34/775491634.db2.gz MEYJFFOOILXUPU-UHFFFAOYSA-N 0 3 277.328 -1.043 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1CCN(C[C@H](O)COC)C1 ZINC001269121781 775492137 /nfs/dbraw/zinc/49/21/37/775492137.db2.gz MKWSUJJVQAARKP-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001269142750 775492409 /nfs/dbraw/zinc/49/24/09/775492409.db2.gz MBRHOLSXFXWEQO-LLVKDONJSA-N 0 3 297.359 -1.191 20 0 CAADHN CNC(=O)C(=O)N1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001269179643 775494029 /nfs/dbraw/zinc/49/40/29/775494029.db2.gz CRZOVKDUOAHPBQ-CQSZACIVSA-N 0 3 296.371 -1.255 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C(=O)NCC1CC1 ZINC001284459358 775499970 /nfs/dbraw/zinc/49/99/70/775499970.db2.gz CMUZKZYOQJXOEW-VIFPVBQESA-N 0 3 286.332 -2.593 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2cnn(C)c2N)C1 ZINC000725172973 775500807 /nfs/dbraw/zinc/50/08/07/775500807.db2.gz KKEINEAYEHSYLC-LLVKDONJSA-N 0 3 253.306 -1.201 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C(=O)NCC1CC1 ZINC001284459357 775501004 /nfs/dbraw/zinc/50/10/04/775501004.db2.gz CMUZKZYOQJXOEW-SECBINFHSA-N 0 3 286.332 -2.593 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1cncnc1 ZINC001126408217 775501399 /nfs/dbraw/zinc/50/13/99/775501399.db2.gz VWODNKYZEXTFNZ-UHFFFAOYSA-N 0 3 280.288 -2.080 20 0 CAADHN O=C(Cc1cncnc1)NCCN[C@@H]1CCNC1=O ZINC001126407911 775501598 /nfs/dbraw/zinc/50/15/98/775501598.db2.gz RYBSFKWHRSOJMN-SNVBAGLBSA-N 0 3 263.301 -1.387 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1cncnc1 ZINC001126407516 775501623 /nfs/dbraw/zinc/50/16/23/775501623.db2.gz NGRVMFBQWRHVGX-UHFFFAOYSA-N 0 3 294.315 -1.820 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1cncnc1)C(N)=O ZINC001126408167 775502339 /nfs/dbraw/zinc/50/23/39/775502339.db2.gz VAFONUQATJCQGT-MRVPVSSYSA-N 0 3 251.290 -1.401 20 0 CAADHN O=C(Cc1cncnc1)NCCN[C@H]1CCNC1=O ZINC001126407910 775502728 /nfs/dbraw/zinc/50/27/28/775502728.db2.gz RYBSFKWHRSOJMN-JTQLQIEISA-N 0 3 263.301 -1.387 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)Cc2cncnc2)C1=O ZINC001126412903 775504724 /nfs/dbraw/zinc/50/47/24/775504724.db2.gz HKVGPUYABQFGIH-LLVKDONJSA-N 0 3 277.328 -1.044 20 0 CAADHN CC[C@@H](CNC(=O)C(F)F)NCC(=O)NC(N)=O ZINC001269361345 775505021 /nfs/dbraw/zinc/50/50/21/775505021.db2.gz VNGDOLGSXQSRRZ-YFKPBYRVSA-N 0 3 266.248 -1.069 20 0 CAADHN CC[C@H](CNC(=O)CC(N)=O)NCc1n[nH]c(C)n1 ZINC001269384586 775505368 /nfs/dbraw/zinc/50/53/68/775505368.db2.gz VBISONSOJNIJDX-MRVPVSSYSA-N 0 3 268.321 -1.027 20 0 CAADHN CCN(C(=O)CN1C(=O)CNC1=O)[C@H]1CCN(CCO)C1 ZINC001269355788 775505827 /nfs/dbraw/zinc/50/58/27/775505827.db2.gz KAKHKEFYVHUFCQ-JTQLQIEISA-N 0 3 298.343 -1.547 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)NCC(N)=O ZINC001269413102 775506632 /nfs/dbraw/zinc/50/66/32/775506632.db2.gz PLLIBAGJDFNJGH-SSDOTTSWSA-N 0 3 259.310 -2.115 20 0 CAADHN CC[C@@H](CNC(=O)C(C)(C)C(N)=O)NCC(=O)NC ZINC001269417809 775507193 /nfs/dbraw/zinc/50/71/93/775507193.db2.gz QSGKBUOWWBQQGQ-QMMMGPOBSA-N 0 3 272.349 -1.272 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCNC1=O)NCC(=O)NC1CC1 ZINC001269447973 775507710 /nfs/dbraw/zinc/50/77/10/775507710.db2.gz HOIIREIUODJGDP-ONGXEEELSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NCC(=O)NCC(C)C ZINC001269461250 775507818 /nfs/dbraw/zinc/50/78/18/775507818.db2.gz QRASDTMPZZBDFC-SECBINFHSA-N 0 3 272.349 -1.272 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NCC(=O)N(C)CC ZINC001269461847 775508475 /nfs/dbraw/zinc/50/84/75/775508475.db2.gz YZROQXQUFKFMRA-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN CC[C@H](CNC(=O)C1(C(N)=O)CC1)N[C@H]1CCN(C)C1=O ZINC001269460339 775508513 /nfs/dbraw/zinc/50/85/13/775508513.db2.gz HBUJZEOKDQTTBA-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NCC(=O)N[C@@H](C)CC ZINC001269460090 775508535 /nfs/dbraw/zinc/50/85/35/775508535.db2.gz DMTIUCODJLMYLN-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@H](NCCNC(=O)Cc1cncnc1)C(=O)NC(N)=O ZINC001126414808 775510000 /nfs/dbraw/zinc/51/00/00/775510000.db2.gz RSEFDLVKSDPXLE-QMMMGPOBSA-N 0 3 294.315 -1.692 20 0 CAADHN COCCOCCNC1(CNC(=O)C(N)=O)CC1 ZINC001269480278 775510088 /nfs/dbraw/zinc/51/00/88/775510088.db2.gz FUMWNIRILZNCSR-UHFFFAOYSA-N 0 3 259.306 -1.627 20 0 CAADHN CCn1ccnc1C(=O)NCCNCC(=O)NC(=O)NC ZINC001126417466 775511492 /nfs/dbraw/zinc/51/14/92/775511492.db2.gz IEXUDZAGGFGBOM-UHFFFAOYSA-N 0 3 296.331 -1.322 20 0 CAADHN CN1CC[C@@H](NCC2(NC(=O)C(N)=O)CCCC2)C1=O ZINC001269572569 775513841 /nfs/dbraw/zinc/51/38/41/775513841.db2.gz XWRYLUCDTJOROM-SECBINFHSA-N 0 3 282.344 -1.279 20 0 CAADHN C[C@@H](NC[C@](C)(NC(=O)C(N)=O)C1CC1)C(=O)N(C)C ZINC001269634888 775514324 /nfs/dbraw/zinc/51/43/24/775514324.db2.gz VKOLDCCYSCJEJV-OQPBUACISA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H](NC[C@@](C)(NC(=O)C(N)=O)C1CC1)C(=O)N(C)C ZINC001269634887 775515212 /nfs/dbraw/zinc/51/52/12/775515212.db2.gz VKOLDCCYSCJEJV-ISVAXAHUSA-N 0 3 284.360 -1.177 20 0 CAADHN CCn1ccnc1C(=O)NCCNCC(=O)NC(N)=O ZINC001126419042 775515349 /nfs/dbraw/zinc/51/53/49/775515349.db2.gz ZYKKNVGYSOVZNE-UHFFFAOYSA-N 0 3 282.304 -1.583 20 0 CAADHN CCn1ccnc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001126425983 775517350 /nfs/dbraw/zinc/51/73/50/775517350.db2.gz WKGWNZGLOZMVCD-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN O=C(CCc1ncc[nH]1)NCCN[C@@H]1CCNC1=O ZINC001126436836 775519402 /nfs/dbraw/zinc/51/94/02/775519402.db2.gz NWVJONJUHJDXQA-SECBINFHSA-N 0 3 265.317 -1.063 20 0 CAADHN O=C(CCc1ncc[nH]1)NCCN[C@H]1CCC(=O)NC1=O ZINC001126436768 775519467 /nfs/dbraw/zinc/51/94/67/775519467.db2.gz LDYXAJXHRRUREN-VIFPVBQESA-N 0 3 293.327 -1.147 20 0 CAADHN Cn1[nH]c(CNCCNC(=O)CCc2ncc[nH]2)nc1=O ZINC001126436670 775519533 /nfs/dbraw/zinc/51/95/33/775519533.db2.gz GVCKCTADKSAKCU-UHFFFAOYSA-N 0 3 293.331 -1.330 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)C1=COCCO1 ZINC001270000063 775519560 /nfs/dbraw/zinc/51/95/60/775519560.db2.gz XFDAWUKLBRVUMO-SECBINFHSA-N 0 3 269.301 -1.060 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001270074790 775521188 /nfs/dbraw/zinc/52/11/88/775521188.db2.gz FYNQMPYTFHLYNA-BDAKNGLRSA-N 0 3 284.360 -1.048 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001270074792 775521255 /nfs/dbraw/zinc/52/12/55/775521255.db2.gz FYNQMPYTFHLYNA-IUCAKERBSA-N 0 3 284.360 -1.048 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@H]2CNCC(N)=O)nn1 ZINC001270043891 775521392 /nfs/dbraw/zinc/52/13/92/775521392.db2.gz WLBCECHQZCQYKC-QMMMGPOBSA-N 0 3 266.305 -1.505 20 0 CAADHN CS(=O)(=O)NCCNC[C@H]1CCCN1C(=O)C(N)=O ZINC001270119598 775523503 /nfs/dbraw/zinc/52/35/03/775523503.db2.gz COYFOLAXOVUXGU-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN C[C@H](NCCNC(=O)CCc1ncc[nH]1)C(=O)NC(N)=O ZINC001126447647 775523525 /nfs/dbraw/zinc/52/35/25/775523525.db2.gz JAVHYISYLXOKQX-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC001270112711 775523836 /nfs/dbraw/zinc/52/38/36/775523836.db2.gz JMPJNMJLSJDVPX-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCNC1=O ZINC001270112712 775524026 /nfs/dbraw/zinc/52/40/26/775524026.db2.gz JMPJNMJLSJDVPX-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)C(=O)NCC1CC1)C(N)=O ZINC001270158564 775525926 /nfs/dbraw/zinc/52/59/26/775525926.db2.gz GETAGFAKXZRQCN-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN CC(C)(O)CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126456471 775526780 /nfs/dbraw/zinc/52/67/80/775526780.db2.gz VFFKBRGOJFNATR-QMMMGPOBSA-N 0 3 271.317 -1.342 20 0 CAADHN O=C([C@H]1COC(=O)N1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075747841 775527080 /nfs/dbraw/zinc/52/70/80/775527080.db2.gz DRLJLGDCUYUSOC-IVZWLZJFSA-N 0 3 269.301 -1.380 20 0 CAADHN CN(CC1CC1)C(=O)CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001270258862 775527275 /nfs/dbraw/zinc/52/72/75/775527275.db2.gz HBGKZKUSNRQJEA-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN O=C([C@@H]1COC(=O)N1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075747842 775527320 /nfs/dbraw/zinc/52/73/20/775527320.db2.gz DRLJLGDCUYUSOC-LPEHRKFASA-N 0 3 269.301 -1.380 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CCCC1 ZINC001270421686 775530101 /nfs/dbraw/zinc/53/01/01/775530101.db2.gz HJYBWXQMJPZBIK-GHMZBOCLSA-N 0 3 296.371 -1.128 20 0 CAADHN CN1CC2(C1)CN(C(=O)[C@H](Cc1cnc[nH]1)NC=O)C2 ZINC001270406637 775530151 /nfs/dbraw/zinc/53/01/51/775530151.db2.gz SATGKVZONVAQHA-NSHDSACASA-N 0 3 277.328 -1.159 20 0 CAADHN C[C@@H](O)CC(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001270416652 775530180 /nfs/dbraw/zinc/53/01/80/775530180.db2.gz VPDCLVGRCPFZLR-LLVKDONJSA-N 0 3 299.371 -1.241 20 0 CAADHN CC(C)(O)CC(=O)NCCNCCNS(C)(=O)=O ZINC001126461760 775530283 /nfs/dbraw/zinc/53/02/83/775530283.db2.gz BPTHEROBPFLXLW-UHFFFAOYSA-N 0 3 281.378 -1.598 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@@H]1CCNC1=O)C1CCCC1 ZINC001270421687 775530321 /nfs/dbraw/zinc/53/03/21/775530321.db2.gz HJYBWXQMJPZBIK-MNOVXSKESA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1CCNC1=O)C1CCCC1 ZINC001270421689 775530518 /nfs/dbraw/zinc/53/05/18/775530518.db2.gz HJYBWXQMJPZBIK-QWRGUYRKSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@H](O)CC(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001270415990 775531077 /nfs/dbraw/zinc/53/10/77/775531077.db2.gz OAPAQXJFEBYCTL-NSHDSACASA-N 0 3 299.371 -1.241 20 0 CAADHN CN(C)CCN1CC[C@]2(CCN(C(=O)CO)C2)C1=O ZINC001270424543 775532922 /nfs/dbraw/zinc/53/29/22/775532922.db2.gz VCDVKHFKKUZVRA-CYBMUJFWSA-N 0 3 269.345 -1.009 20 0 CAADHN Cc1cc(NC(=O)CNC[C@H](C)CNC(=O)C(N)=O)no1 ZINC001270497055 775534617 /nfs/dbraw/zinc/53/46/17/775534617.db2.gz SQVKYKCXKJGFRF-ZETCQYMHSA-N 0 3 297.315 -1.251 20 0 CAADHN C[C@@H](NCCNC(=O)CC(C)(C)O)C(=O)NC(N)=O ZINC001126467538 775535004 /nfs/dbraw/zinc/53/50/04/775535004.db2.gz JIFDDQRNBIQJBP-SSDOTTSWSA-N 0 3 274.321 -1.563 20 0 CAADHN Cc1cc(NC(=O)CNC[C@@H](C)CNC(=O)C(N)=O)no1 ZINC001270497054 775535054 /nfs/dbraw/zinc/53/50/54/775535054.db2.gz SQVKYKCXKJGFRF-SSDOTTSWSA-N 0 3 297.315 -1.251 20 0 CAADHN C[C@H](NCCNC(=O)CC(C)(C)O)C(=O)NC(N)=O ZINC001126467539 775535136 /nfs/dbraw/zinc/53/51/36/775535136.db2.gz JIFDDQRNBIQJBP-ZETCQYMHSA-N 0 3 274.321 -1.563 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC(C)(C)O ZINC001126466846 775535171 /nfs/dbraw/zinc/53/51/71/775535171.db2.gz CBILCSAGKMCBKY-MRVPVSSYSA-N 0 3 288.348 -1.303 20 0 CAADHN Cc1ccnc(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001126472219 775537994 /nfs/dbraw/zinc/53/79/94/775537994.db2.gz ZINNSKPMUSOFQD-VIFPVBQESA-N 0 3 263.301 -1.007 20 0 CAADHN Cc1ccnc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001126472060 775538721 /nfs/dbraw/zinc/53/87/21/775538721.db2.gz WWWDUPJCAFJCGG-UHFFFAOYSA-N 0 3 280.288 -1.701 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCNCC(N)=O)C1 ZINC001149318349 775557011 /nfs/dbraw/zinc/55/70/11/775557011.db2.gz UWGHFWLETLYPJG-VIFPVBQESA-N 0 3 256.306 -1.954 20 0 CAADHN CC(C)(O)CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001126477637 775540172 /nfs/dbraw/zinc/54/01/72/775540172.db2.gz UMILLVGVMMIXPB-UHFFFAOYSA-N 0 3 287.360 -1.288 20 0 CAADHN Cc1ccnc(C(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001126477557 775540746 /nfs/dbraw/zinc/54/07/46/775540746.db2.gz RQUQLQPYMJFXQM-QMMMGPOBSA-N 0 3 251.290 -1.022 20 0 CAADHN Cc1ccnc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)n1 ZINC001126476332 775540794 /nfs/dbraw/zinc/54/07/94/775540794.db2.gz AJACUNGTLRKOAD-VIFPVBQESA-N 0 3 291.311 -1.090 20 0 CAADHN Cc1ccnc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)n1 ZINC001126479954 775542117 /nfs/dbraw/zinc/54/21/17/775542117.db2.gz CYRBRVBBLBTHNC-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN CN1CCC(O)(C(=O)N2CC3(C2)COCC(=O)N3C)CC1 ZINC001270681112 775542555 /nfs/dbraw/zinc/54/25/55/775542555.db2.gz WAFWVDZYKAUGMX-UHFFFAOYSA-N 0 3 297.355 -1.487 20 0 CAADHN CNC(=O)[C@H](C)NC1(CNC(=O)C(N)=O)CCCC1 ZINC001270786473 775545097 /nfs/dbraw/zinc/54/50/97/775545097.db2.gz ZSWPBTDGDFWSSL-QMMMGPOBSA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@@H](NC1(CNC(=O)C(N)=O)CCCC1)C(=O)N(C)C ZINC001270786263 775545222 /nfs/dbraw/zinc/54/52/22/775545222.db2.gz VTFMSVGWILSUHP-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCS(=O)(=O)N1)C2 ZINC001270797608 775546848 /nfs/dbraw/zinc/54/68/48/775546848.db2.gz VBWJHMGEWUGNDJ-UTLUCORTSA-N 0 3 273.358 -1.159 20 0 CAADHN CN1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001270795642 775546916 /nfs/dbraw/zinc/54/69/16/775546916.db2.gz ASRQKFMJAJCXLG-GUBZILKMSA-N 0 3 273.358 -1.017 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](OC)C1CC1 ZINC001126487325 775549031 /nfs/dbraw/zinc/54/90/31/775549031.db2.gz YDCZRVDSRQIHEB-SNVBAGLBSA-N 0 3 286.332 -1.427 20 0 CAADHN CC[C@H](O)C(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001270826970 775549127 /nfs/dbraw/zinc/54/91/27/775549127.db2.gz WDQMSHLMVRDRLV-NSHDSACASA-N 0 3 299.371 -1.241 20 0 CAADHN CO[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001126500386 775552347 /nfs/dbraw/zinc/55/23/47/775552347.db2.gz DPGBYIGXXNLCJN-IONNQARKSA-N 0 3 286.332 -1.299 20 0 CAADHN CO[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001126500387 775552197 /nfs/dbraw/zinc/55/21/97/775552197.db2.gz DPGBYIGXXNLCJN-VXNVDRBHSA-N 0 3 286.332 -1.299 20 0 CAADHN CN(C)CCN1CC2(CN(C(=O)[C@@H]3CCO3)C2)OCC1=O ZINC001270868279 775553306 /nfs/dbraw/zinc/55/33/06/775553306.db2.gz DXBDYFGKMOBGII-NSHDSACASA-N 0 3 297.355 -1.223 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075800441 775556319 /nfs/dbraw/zinc/55/63/19/775556319.db2.gz YFWROHUKFXGMNA-VHSXEESVSA-N 0 3 266.305 -1.802 20 0 CAADHN O=C(CCn1cncn1)NC[C@H]1CN(CCO)CCCO1 ZINC001149187816 775556782 /nfs/dbraw/zinc/55/67/82/775556782.db2.gz BNKSVNRJAZOQCG-LBPRGKRZSA-N 0 3 297.359 -1.132 20 0 CAADHN Cc1cc[nH]c1C(=O)NCCNCC(=O)NC(N)=O ZINC001126519613 775557965 /nfs/dbraw/zinc/55/79/65/775557965.db2.gz XPTNJAYOICWPDY-UHFFFAOYSA-N 0 3 267.289 -1.163 20 0 CAADHN Cn1nncc1C(=O)NCCNCC(=O)NC1CC1 ZINC001126522824 775558049 /nfs/dbraw/zinc/55/80/49/775558049.db2.gz DXANANQMBFPADW-UHFFFAOYSA-N 0 3 266.305 -1.587 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001083415733 775558370 /nfs/dbraw/zinc/55/83/70/775558370.db2.gz IGKZYRQBQUNFAI-NEPJUHHUSA-N 0 3 271.361 -1.112 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1cnnn1C ZINC001126523585 775558509 /nfs/dbraw/zinc/55/85/09/775558509.db2.gz IZSHCHLLMNCACN-UHFFFAOYSA-N 0 3 268.321 -1.339 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnnn1C ZINC001126528003 775558762 /nfs/dbraw/zinc/55/87/62/775558762.db2.gz ATMCPXOUBSOKFT-ZETCQYMHSA-N 0 3 254.294 -1.731 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnnn1C ZINC001126524775 775559434 /nfs/dbraw/zinc/55/94/34/775559434.db2.gz UOODMOBLRFWLBY-UHFFFAOYSA-N 0 3 283.292 -2.410 20 0 CAADHN Cc1c(C(=O)N(C)[C@H](C)CNCC(N)=O)nnn1C ZINC001270921303 775560424 /nfs/dbraw/zinc/56/04/24/775560424.db2.gz IBGMHUYVRKNMNT-SSDOTTSWSA-N 0 3 268.321 -1.341 20 0 CAADHN C[C@H](NC[C@H](C)N(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001270957675 775560712 /nfs/dbraw/zinc/56/07/12/775560712.db2.gz XDKCZECDYICQLW-YUMQZZPRSA-N 0 3 268.321 -1.261 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)c1cnnn1C ZINC001126529513 775560842 /nfs/dbraw/zinc/56/08/42/775560842.db2.gz YZSHORRZEVEFPF-UHFFFAOYSA-N 0 3 282.348 -1.093 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)c1cn(C)nn1 ZINC001270957674 775560897 /nfs/dbraw/zinc/56/08/97/775560897.db2.gz XDKCZECDYICQLW-SFYZADRCSA-N 0 3 268.321 -1.261 20 0 CAADHN NC(=O)CNC1(CNC(=O)C(F)F)CCOCC1 ZINC001271016423 775563716 /nfs/dbraw/zinc/56/37/16/775563716.db2.gz GQPZPRZNEKWPEG-UHFFFAOYSA-N 0 3 265.260 -1.008 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1cnnn1C ZINC001126535859 775564733 /nfs/dbraw/zinc/56/47/33/775564733.db2.gz VLIGSZKNDQBGGO-UHFFFAOYSA-N 0 3 268.321 -1.387 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)CNS(C)(=O)=O)C2 ZINC001271054501 775565059 /nfs/dbraw/zinc/56/50/59/775565059.db2.gz FOLUEJJKUVCCCD-BDAKNGLRSA-N 0 3 261.347 -1.302 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@]1(C)CCNC1=O ZINC001271103085 775565827 /nfs/dbraw/zinc/56/58/27/775565827.db2.gz VGTIWEMJYBBYSX-RNCFNFMXSA-N 0 3 284.360 -1.305 20 0 CAADHN COC[C@@H](OC)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001271100849 775565965 /nfs/dbraw/zinc/56/59/65/775565965.db2.gz KCGAKFRRQMCKMW-DTWKUNHWSA-N 0 3 261.322 -1.430 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001271081262 775566706 /nfs/dbraw/zinc/56/67/06/775566706.db2.gz BOYLYTKZSZKVOH-HTQZYQBOSA-N 0 3 270.333 -1.438 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@]1(C)CCNC1=O ZINC001271103087 775566973 /nfs/dbraw/zinc/56/69/73/775566973.db2.gz VGTIWEMJYBBYSX-ZANVPECISA-N 0 3 284.360 -1.305 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCOCCO)C1)c1cn[nH]c1 ZINC001271122195 775568055 /nfs/dbraw/zinc/56/80/55/775568055.db2.gz YAFCHKPTKPROEC-ZDUSSCGKSA-N 0 3 298.343 -1.415 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001271113371 775569568 /nfs/dbraw/zinc/56/95/68/775569568.db2.gz OMLNCONYEJJXRA-PRJMDXOYSA-N 0 3 256.306 -1.970 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1 ZINC001083417441 775570177 /nfs/dbraw/zinc/57/01/77/775570177.db2.gz QKFMGWCQRIOFAN-WOPDTQHZSA-N 0 3 271.361 -1.112 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@H](CCNC(=O)C(N)=O)C1 ZINC001059351336 775570491 /nfs/dbraw/zinc/57/04/91/775570491.db2.gz BKQSLGNNKDBXNX-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cnnn1C ZINC001126541503 775570671 /nfs/dbraw/zinc/57/06/71/775570671.db2.gz ZSYMQVAXBOBBPO-ZETCQYMHSA-N 0 3 297.319 -2.021 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](CCNC(=O)C(N)=O)C1 ZINC001059351333 775571310 /nfs/dbraw/zinc/57/13/10/775571310.db2.gz BKQSLGNNKDBXNX-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@@H]2COCCN2C)[C@@H](O)C1 ZINC001083417393 775571766 /nfs/dbraw/zinc/57/17/66/775571766.db2.gz PCOSUFLCMRGWOD-WOPDTQHZSA-N 0 3 271.361 -1.113 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cnnn1C ZINC001126541502 775571777 /nfs/dbraw/zinc/57/17/77/775571777.db2.gz ZSYMQVAXBOBBPO-SSDOTTSWSA-N 0 3 297.319 -2.021 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1cnnn1C ZINC001126541219 775571789 /nfs/dbraw/zinc/57/17/89/775571789.db2.gz RJSRPOPJKSYVQI-UHFFFAOYSA-N 0 3 298.347 -1.713 20 0 CAADHN COC[C@@H](C)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001271133394 775572595 /nfs/dbraw/zinc/57/25/95/775572595.db2.gz ZWBNDROZESUIRQ-PWSUYJOCSA-N 0 3 260.334 -1.186 20 0 CAADHN CC[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1CCO ZINC001087689753 775572692 /nfs/dbraw/zinc/57/26/92/775572692.db2.gz SPVYGNBIWQEKLH-DTWKUNHWSA-N 0 3 268.321 -1.215 20 0 CAADHN Cn1cnc(C(=O)NC[C@]2(O)CCN(CCO)C2)c1 ZINC001271139536 775572871 /nfs/dbraw/zinc/57/28/71/775572871.db2.gz XXIMMDVTZCBKHJ-GFCCVEGCSA-N 0 3 268.317 -1.421 20 0 CAADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1CCO ZINC001087708856 775572993 /nfs/dbraw/zinc/57/29/93/775572993.db2.gz UBFSMCWXXSOBBS-LPEHRKFASA-N 0 3 270.333 -1.371 20 0 CAADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CCN1CCO ZINC001087685941 775573066 /nfs/dbraw/zinc/57/30/66/775573066.db2.gz GXRDJABGKHINJS-HBNTYKKESA-N 0 3 284.360 -1.029 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCOCCO)C1)c1cocn1 ZINC001271132694 775574121 /nfs/dbraw/zinc/57/41/21/775574121.db2.gz SSCSYCGJKXTBOL-CYBMUJFWSA-N 0 3 299.327 -1.150 20 0 CAADHN Cn1cnc(C(=O)NC[C@@]2(O)CCN(CCO)C2)c1 ZINC001271139537 775574703 /nfs/dbraw/zinc/57/47/03/775574703.db2.gz XXIMMDVTZCBKHJ-LBPRGKRZSA-N 0 3 268.317 -1.421 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548300 775575283 /nfs/dbraw/zinc/57/52/83/775575283.db2.gz IMFBDSFYTJHORO-VIFPVBQESA-N 0 3 267.289 -1.266 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1COC(=O)N1)N1CCCC1 ZINC001126548268 775575438 /nfs/dbraw/zinc/57/54/38/775575438.db2.gz HRCVWDHGWPSTAB-SECBINFHSA-N 0 3 284.316 -1.577 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548289 775575630 /nfs/dbraw/zinc/57/56/30/775575630.db2.gz HYQNSCQSSIKUFW-ZETCQYMHSA-N 0 3 258.278 -2.063 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)N(C)C(=O)c1cnon1 ZINC001271147297 775575669 /nfs/dbraw/zinc/57/56/69/775575669.db2.gz PBPGQFIFBUOVBM-YUMQZZPRSA-N 0 3 295.299 -1.075 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126548801 775577197 /nfs/dbraw/zinc/57/71/97/775577197.db2.gz STAJMTDCNVLKHA-MRVPVSSYSA-N 0 3 272.305 -1.675 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548592 775577242 /nfs/dbraw/zinc/57/72/42/775577242.db2.gz PFUAJVHUIOMDLK-VIFPVBQESA-N 0 3 286.332 -1.333 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@@H]2COC(=O)N2)cn1 ZINC001126548469 775577477 /nfs/dbraw/zinc/57/74/77/775577477.db2.gz LUMCBEAQVHWYIG-VIFPVBQESA-N 0 3 267.289 -1.266 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1COC(=O)N1)NCC1CCC1 ZINC001126548539 775577497 /nfs/dbraw/zinc/57/74/97/775577497.db2.gz NWHAOHQBTMWSPG-SNVBAGLBSA-N 0 3 298.343 -1.283 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1COC(=O)N1 ZINC001126548190 775577601 /nfs/dbraw/zinc/57/76/01/775577601.db2.gz FUCPONKNVCWTSH-RQJHMYQMSA-N 0 3 284.272 -2.394 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@H]2COC(=O)N2)cn1 ZINC001126548468 775577636 /nfs/dbraw/zinc/57/76/36/775577636.db2.gz LUMCBEAQVHWYIG-SECBINFHSA-N 0 3 267.289 -1.266 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1COC(=O)N1 ZINC001126548189 775577656 /nfs/dbraw/zinc/57/76/56/775577656.db2.gz FUCPONKNVCWTSH-RNFRBKRXSA-N 0 3 284.272 -2.394 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548423 775577820 /nfs/dbraw/zinc/57/78/20/775577820.db2.gz LABOTHYVRQCZBA-ZETCQYMHSA-N 0 3 258.278 -2.111 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1COC(=O)N1 ZINC001126548854 775578010 /nfs/dbraw/zinc/57/80/10/775578010.db2.gz UAHKJZVFHBMMJL-RQJHMYQMSA-N 0 3 256.262 -2.311 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1COC(=O)N1 ZINC001126548793 775578030 /nfs/dbraw/zinc/57/80/30/775578030.db2.gz SQWAFNXJKDXOLY-SFYZADRCSA-N 0 3 270.289 -1.921 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126548408 775578113 /nfs/dbraw/zinc/57/81/13/775578113.db2.gz KQEIZTJACALYSK-MRVPVSSYSA-N 0 3 286.332 -1.285 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548409 775578288 /nfs/dbraw/zinc/57/82/88/775578288.db2.gz KQEIZTJACALYSK-QMMMGPOBSA-N 0 3 286.332 -1.285 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1COC(=O)N1)N1CCCCC1 ZINC001126548653 775578302 /nfs/dbraw/zinc/57/83/02/775578302.db2.gz QWAKRBFZHVPGBJ-SNVBAGLBSA-N 0 3 298.343 -1.187 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126548591 775578315 /nfs/dbraw/zinc/57/83/15/775578315.db2.gz PFUAJVHUIOMDLK-SECBINFHSA-N 0 3 286.332 -1.333 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1COC(=O)N1 ZINC001126548790 775578384 /nfs/dbraw/zinc/57/83/84/775578384.db2.gz SQWAFNXJKDXOLY-HTQZYQBOSA-N 0 3 270.289 -1.921 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1COC(=O)N1)C(=O)N(C)C ZINC001126552718 775579076 /nfs/dbraw/zinc/57/90/76/775579076.db2.gz DVTSFRSOTJWSQT-SFYZADRCSA-N 0 3 272.305 -1.723 20 0 CAADHN CCCC[C@H](NCCNC(=O)[C@@H]1COC(=O)N1)C(N)=O ZINC001126552940 775579778 /nfs/dbraw/zinc/57/97/78/775579778.db2.gz FJGUQEALHHQJGE-IUCAKERBSA-N 0 3 286.332 -1.155 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001126553418 775579937 /nfs/dbraw/zinc/57/99/37/775579937.db2.gz IBNYBTIMIAFOSK-BDAKNGLRSA-N 0 3 284.316 -1.579 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001126553420 775579973 /nfs/dbraw/zinc/57/99/73/775579973.db2.gz IBNYBTIMIAFOSK-DTWKUNHWSA-N 0 3 284.316 -1.579 20 0 CAADHN CCCC[C@@H](NCCNC(=O)[C@H]1COC(=O)N1)C(N)=O ZINC001126552941 775579992 /nfs/dbraw/zinc/57/99/92/775579992.db2.gz FJGUQEALHHQJGE-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1COC(=O)N1)N1CCC1 ZINC001126549181 775580187 /nfs/dbraw/zinc/58/01/87/775580187.db2.gz YSTFXGZFBQTCSY-QMMMGPOBSA-N 0 3 270.289 -1.967 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1COC(=O)N1)C(=O)N(C)C ZINC001126552721 775580313 /nfs/dbraw/zinc/58/03/13/775580313.db2.gz DVTSFRSOTJWSQT-YUMQZZPRSA-N 0 3 272.305 -1.723 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1COC(=O)N1)C(N)=O ZINC001126554467 775581280 /nfs/dbraw/zinc/58/12/80/775581280.db2.gz ONPGBOAVRLJSBO-RNFRBKRXSA-N 0 3 258.278 -1.936 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001126554742 775581368 /nfs/dbraw/zinc/58/13/68/775581368.db2.gz RLXJHIWYWUCXRO-JGVFFNPUSA-N 0 3 270.289 -1.969 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001126554740 775581655 /nfs/dbraw/zinc/58/16/55/775581655.db2.gz RLXJHIWYWUCXRO-HTQZYQBOSA-N 0 3 270.289 -1.969 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001126554072 775581924 /nfs/dbraw/zinc/58/19/24/775581924.db2.gz MTQQHKOLCPJFHH-WCBMZHEXSA-N 0 3 298.343 -1.285 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001126554450 775582157 /nfs/dbraw/zinc/58/21/57/775582157.db2.gz OIEIFJCFNXDXHL-UWVGGRQHSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001126554068 775582389 /nfs/dbraw/zinc/58/23/89/775582389.db2.gz MTQQHKOLCPJFHH-PSASIEDQSA-N 0 3 298.343 -1.285 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126554225 775582408 /nfs/dbraw/zinc/58/24/08/775582408.db2.gz OBMXDGWRXYURAY-RQJHMYQMSA-N 0 3 258.278 -2.065 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001087915708 775584263 /nfs/dbraw/zinc/58/42/63/775584263.db2.gz YKOKRYSEOGQZJN-VWYCJHECSA-N 0 3 296.371 -1.094 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083419602 775584510 /nfs/dbraw/zinc/58/45/10/775584510.db2.gz OEUXLSYPSOSUJT-BDAKNGLRSA-N 0 3 269.305 -1.447 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001087915707 775585156 /nfs/dbraw/zinc/58/51/56/775585156.db2.gz YKOKRYSEOGQZJN-OUAUKWLOSA-N 0 3 296.371 -1.094 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1COC(=O)N1)C(=O)NC(N)=O ZINC001126562108 775586202 /nfs/dbraw/zinc/58/62/02/775586202.db2.gz VINXXKCJIXDLII-NTSWFWBYSA-N 0 3 287.276 -2.616 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1COC(=O)N1)C(=O)NC1CC1 ZINC001126561507 775586220 /nfs/dbraw/zinc/58/62/20/775586220.db2.gz QVNXNTUEPGJCAH-IONNQARKSA-N 0 3 284.316 -1.532 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1COC(=O)N1)C(=O)NC(N)=O ZINC001126562118 775586743 /nfs/dbraw/zinc/58/67/43/775586743.db2.gz VINXXKCJIXDLII-WDSKDSINSA-N 0 3 287.276 -2.616 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCOCCO)C1)c1cnco1 ZINC001271174355 775591353 /nfs/dbraw/zinc/59/13/53/775591353.db2.gz IIRQKLFXAPRETC-CYBMUJFWSA-N 0 3 299.327 -1.150 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCOCCO)C1)c1cnco1 ZINC001271174357 775591447 /nfs/dbraw/zinc/59/14/47/775591447.db2.gz IIRQKLFXAPRETC-ZDUSSCGKSA-N 0 3 299.327 -1.150 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@]1(O)CCN(CCO)C1 ZINC001271191411 775592430 /nfs/dbraw/zinc/59/24/30/775592430.db2.gz DWEORJMNYNBUIN-GFCCVEGCSA-N 0 3 268.317 -1.503 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001271193699 775593245 /nfs/dbraw/zinc/59/32/45/775593245.db2.gz ZOWKBQFAIBDANR-ZIAGYGMSSA-N 0 3 299.371 -1.288 20 0 CAADHN NC(=O)C(=O)NC[C@@]1(O)CCN(CCn2cncn2)C1 ZINC001271185210 775593297 /nfs/dbraw/zinc/59/32/97/775593297.db2.gz UTTQKMCMVCHIIJ-NSHDSACASA-N 0 3 282.304 -2.684 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001271193697 775593396 /nfs/dbraw/zinc/59/33/96/775593396.db2.gz ZOWKBQFAIBDANR-KGLIPLIRSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CN1C(=O)CNC1=O ZINC001271198205 775594441 /nfs/dbraw/zinc/59/44/41/775594441.db2.gz RMDYHSCGGYKHFG-SSDOTTSWSA-N 0 3 285.304 -2.540 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)Cn1cncn1 ZINC001271197167 775594896 /nfs/dbraw/zinc/59/48/96/775594896.db2.gz NKSLPNGDKFGQBH-VIFPVBQESA-N 0 3 268.321 -1.539 20 0 CAADHN CC[C@H](C(=O)N1CC[C@H]1CNC(=O)CC(N)=O)N(C)C ZINC001285845127 775597399 /nfs/dbraw/zinc/59/73/99/775597399.db2.gz BJXUHLJVDHFJAX-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)CCS(N)(=O)=O)C2 ZINC001271284398 775600334 /nfs/dbraw/zinc/60/03/34/775600334.db2.gz GIXZQYYVGVXHIV-BDAKNGLRSA-N 0 3 261.347 -1.173 20 0 CAADHN CC(C)C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)C(N)=O ZINC001271295234 775602015 /nfs/dbraw/zinc/60/20/15/775602015.db2.gz UJHWVGLTZHYUBR-BDAKNGLRSA-N 0 3 298.343 -1.603 20 0 CAADHN CCCN(C)CC(=O)NC1(CNC(=O)C(N)=O)CC1 ZINC001285959213 775605855 /nfs/dbraw/zinc/60/58/55/775605855.db2.gz PWLRQIPILCVHPI-UHFFFAOYSA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088088933 775607382 /nfs/dbraw/zinc/60/73/82/775607382.db2.gz SMYIUXHWRHMBLB-AXFHLTTASA-N 0 3 296.371 -1.271 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088088934 775607521 /nfs/dbraw/zinc/60/75/21/775607521.db2.gz SMYIUXHWRHMBLB-MXWKQRLJSA-N 0 3 296.371 -1.271 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088088663 775607546 /nfs/dbraw/zinc/60/75/46/775607546.db2.gz GDCJNZBEDKEXCB-UTLUCORTSA-N 0 3 282.344 -1.484 20 0 CAADHN CN(C(=O)[C@H]1CCCN1C)C1CN(CC(N)=O)C1 ZINC001042546164 775607655 /nfs/dbraw/zinc/60/76/55/775607655.db2.gz SBSNGRUOWMCRQC-SNVBAGLBSA-N 0 3 254.334 -1.292 20 0 CAADHN CN1CC[C@@H](N2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)C1=O ZINC001088088781 775607882 /nfs/dbraw/zinc/60/78/82/775607882.db2.gz MBQDVEQJSQWHSH-OUAUKWLOSA-N 0 3 294.355 -1.517 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@@H]1C[NH2+]CC(N)=O ZINC001271637977 775617359 /nfs/dbraw/zinc/61/73/59/775617359.db2.gz CKEBDDDZGOXILA-SFYZADRCSA-N 0 3 266.305 -1.412 20 0 CAADHN C[C@H]1CN(C(=O)c2cn[n-]n2)C[C@@H]1C[NH2+]CC(N)=O ZINC001271637978 775617422 /nfs/dbraw/zinc/61/74/22/775617422.db2.gz CKEBDDDZGOXILA-YUMQZZPRSA-N 0 3 266.305 -1.412 20 0 CAADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)Cn2cnnn2)C1 ZINC001088259214 775620318 /nfs/dbraw/zinc/62/03/18/775620318.db2.gz BTPCCKLFADIXHX-SNVBAGLBSA-N 0 3 295.347 -1.481 20 0 CAADHN CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC(N)=O)C2 ZINC001271730674 775620416 /nfs/dbraw/zinc/62/04/16/775620416.db2.gz NVFRANVVQWDMTL-JGPRNRPPSA-N 0 3 296.371 -1.033 20 0 CAADHN CN1CCC(O)(C(=O)N2C[C@H]3C[C@@]3(C(N)=O)C2)CC1 ZINC001271736315 775621511 /nfs/dbraw/zinc/62/15/11/775621511.db2.gz MUVLABIATLTQFF-BXKDBHETSA-N 0 3 267.329 -1.223 20 0 CAADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)CC(N)=O)C1 ZINC001088284821 775621641 /nfs/dbraw/zinc/62/16/41/775621641.db2.gz NQQWUQLQWITWBA-SECBINFHSA-N 0 3 270.333 -1.292 20 0 CAADHN CN1CCC(O)(C(=O)N2CC3(C2)CC[C@@H](C(N)=O)O3)CC1 ZINC001271736781 775621761 /nfs/dbraw/zinc/62/17/61/775621761.db2.gz UTOREMZINGCFFY-JTQLQIEISA-N 0 3 297.355 -1.312 20 0 CAADHN CS(=O)(=O)[C@H]1C[C@H](NC[C@@H](O)CN2CCOCC2)C1 ZINC000714243473 775622075 /nfs/dbraw/zinc/62/20/75/775622075.db2.gz IQOHIQVYCNKSPP-IJLUTSLNSA-N 0 3 292.401 -1.155 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](O)C(C)C ZINC001126622091 775623043 /nfs/dbraw/zinc/62/30/43/775623043.db2.gz FONUCXURQIMJNL-DTWKUNHWSA-N 0 3 288.348 -1.447 20 0 CAADHN NC(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001088307443 775623740 /nfs/dbraw/zinc/62/37/40/775623740.db2.gz WLCYXCKIRHWDGH-VHSXEESVSA-N 0 3 298.343 -1.059 20 0 CAADHN C[C@@H]1C[C@@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CCO1 ZINC001168086014 775623789 /nfs/dbraw/zinc/62/37/89/775623789.db2.gz CBDIGLOQQMCDQO-LTDQNYPCSA-N 0 3 277.317 -2.057 20 0 CAADHN NC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001088307442 775624182 /nfs/dbraw/zinc/62/41/82/775624182.db2.gz WLCYXCKIRHWDGH-UWVGGRQHSA-N 0 3 298.343 -1.059 20 0 CAADHN NC(=O)CN[C@H]1CCCCCN(C(=O)Cn2ncnn2)C1 ZINC001088314211 775624685 /nfs/dbraw/zinc/62/46/85/775624685.db2.gz SFASRNFMEZSNRF-JTQLQIEISA-N 0 3 295.347 -1.481 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)[C@H](O)C(C)C ZINC001126623609 775624744 /nfs/dbraw/zinc/62/47/44/775624744.db2.gz YUANMKAFPIKKTE-SNVBAGLBSA-N 0 3 295.405 -1.352 20 0 CAADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)Cn2ncnn2)C1 ZINC001088314212 775625516 /nfs/dbraw/zinc/62/55/16/775625516.db2.gz SFASRNFMEZSNRF-SNVBAGLBSA-N 0 3 295.347 -1.481 20 0 CAADHN CN(CCCO)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001272093737 775666180 /nfs/dbraw/zinc/66/61/80/775666180.db2.gz UECKYKOVXSNLHY-VIFPVBQESA-N 0 3 258.322 -1.560 20 0 CAADHN CCN(C)C(=O)CN[C@H](CNC(=O)C(N)=O)C(C)C ZINC001271893509 775627776 /nfs/dbraw/zinc/62/77/76/775627776.db2.gz QCRZZCIVHDDJMF-SECBINFHSA-N 0 3 272.349 -1.320 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCNC1=O)C(C)C ZINC001271876033 775627787 /nfs/dbraw/zinc/62/77/87/775627787.db2.gz CTYUXMWOOQSKEK-ZJUUUORDSA-N 0 3 284.360 -1.401 20 0 CAADHN CC(C)[C@H](CNC(=O)C(N)=O)NCCNS(C)(=O)=O ZINC001271894248 775627844 /nfs/dbraw/zinc/62/78/44/775627844.db2.gz UDQOWWHEGKKFTB-QMMMGPOBSA-N 0 3 294.377 -2.249 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CCNC1=O)C(C)C ZINC001271876030 775627906 /nfs/dbraw/zinc/62/79/06/775627906.db2.gz CTYUXMWOOQSKEK-NXEZZACHSA-N 0 3 284.360 -1.401 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CCNC1=O)C(C)C ZINC001271876032 775628032 /nfs/dbraw/zinc/62/80/32/775628032.db2.gz CTYUXMWOOQSKEK-VHSXEESVSA-N 0 3 284.360 -1.401 20 0 CAADHN CC(C)N(C)C(=O)CN1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001271874057 775628078 /nfs/dbraw/zinc/62/80/78/775628078.db2.gz RETUZTCHFVBPHP-PHIMTYICSA-N 0 3 296.371 -1.271 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(N)=O)NCCNS(C)(=O)=O ZINC001271894247 775628387 /nfs/dbraw/zinc/62/83/87/775628387.db2.gz UDQOWWHEGKKFTB-MRVPVSSYSA-N 0 3 294.377 -2.249 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C(=O)NCC1CC1)C(C)C ZINC001271915443 775629118 /nfs/dbraw/zinc/62/91/18/775629118.db2.gz JWBDLCUNIQPWKS-NSHDSACASA-N 0 3 298.387 -1.011 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@H]1CC1(F)F ZINC001126782416 775684108 /nfs/dbraw/zinc/68/41/08/775684108.db2.gz RQEWYRFJBUNQCM-SSDOTTSWSA-N 0 3 285.316 -1.103 20 0 CAADHN C[C@H](N[C@H]1CCCCCN(C(=O)C(N)=O)C1)C(N)=O ZINC001088371169 775632384 /nfs/dbraw/zinc/63/23/84/775632384.db2.gz BRGYJAAYYDWODA-IUCAKERBSA-N 0 3 270.333 -1.294 20 0 CAADHN Cn1nnc(C(=O)N2CCCCC[C@@H](NCC(N)=O)C2)n1 ZINC001088364229 775632626 /nfs/dbraw/zinc/63/26/26/775632626.db2.gz IFRBXMNYLXPLNO-SECBINFHSA-N 0 3 295.347 -1.330 20 0 CAADHN CN(CCCO)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001272005655 775636658 /nfs/dbraw/zinc/63/66/58/775636658.db2.gz VFGPJUGFRNDWCJ-SECBINFHSA-N 0 3 259.306 -1.133 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)[C@H](O)C(C)C ZINC001126632089 775636924 /nfs/dbraw/zinc/63/69/24/775636924.db2.gz MAEIYLBASAGUCQ-GFCCVEGCSA-N 0 3 289.376 -1.138 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)[C@H](O)C(C)C ZINC001126631984 775637665 /nfs/dbraw/zinc/63/76/65/775637665.db2.gz KLCFNOXGGPNRDD-GFCCVEGCSA-N 0 3 289.376 -1.138 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2cnnn2)CCN1CCO ZINC001088460780 775639308 /nfs/dbraw/zinc/63/93/08/775639308.db2.gz DNBPJHKOTQVCDO-BDAKNGLRSA-N 0 3 254.294 -1.756 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCO2)CCN1CCO ZINC001088475394 775639437 /nfs/dbraw/zinc/63/94/37/775639437.db2.gz UGNWDRMMGCWTKH-VWYCJHECSA-N 0 3 258.318 -1.027 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCN[C@H]1CCCNC1=O ZINC001126637508 775640646 /nfs/dbraw/zinc/64/06/46/775640646.db2.gz ZCCJGDZWIPYZSN-VHSXEESVSA-N 0 3 257.334 -1.012 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1CCO ZINC001088495847 775640686 /nfs/dbraw/zinc/64/06/86/775640686.db2.gz PTUCFTKNHVLMRZ-KXUCPTDWSA-N 0 3 255.318 -1.164 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1CCO ZINC001088506589 775642218 /nfs/dbraw/zinc/64/22/18/775642218.db2.gz BOVMAXWUVRSVHN-GRYCIOLGSA-N 0 3 271.361 -1.112 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1cn(C)nn1 ZINC001126650550 775642476 /nfs/dbraw/zinc/64/24/76/775642476.db2.gz QLINQHMEZYLAKI-UHFFFAOYSA-N 0 3 298.347 -1.713 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2COCCN2C)CCN1CCO ZINC001088532367 775644219 /nfs/dbraw/zinc/64/42/19/775644219.db2.gz MXHGTTUWVFHPBH-WOPDTQHZSA-N 0 3 271.361 -1.112 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cc1nnc(C)o1 ZINC001126663963 775644847 /nfs/dbraw/zinc/64/48/47/775644847.db2.gz PDGGPZZSKWILFF-UHFFFAOYSA-N 0 3 269.305 -1.238 20 0 CAADHN Cc1nnc(CC(=O)NCCNCC(=O)NC2CC2)o1 ZINC001126664230 775645200 /nfs/dbraw/zinc/64/52/00/775645200.db2.gz VQHXAEJGJRCOSD-UHFFFAOYSA-N 0 3 281.316 -1.095 20 0 CAADHN Cc1nnc(CC(=O)NCCNCC(=O)N(C)C)o1 ZINC001126664331 775645340 /nfs/dbraw/zinc/64/53/40/775645340.db2.gz XBBPNOAHFGSUON-UHFFFAOYSA-N 0 3 269.305 -1.285 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1cn(C)nn1 ZINC001126666681 775645686 /nfs/dbraw/zinc/64/56/86/775645686.db2.gz BKGOWPPFEUAWBW-UHFFFAOYSA-N 0 3 268.321 -1.387 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001126677974 775646507 /nfs/dbraw/zinc/64/65/07/775646507.db2.gz JVQFFNIZTPDSOL-UHFFFAOYSA-N 0 3 269.265 -2.671 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(=O)N2CCCC2)n1 ZINC001126677815 775647279 /nfs/dbraw/zinc/64/72/79/775647279.db2.gz FDVXQGDYSUNAGQ-UHFFFAOYSA-N 0 3 280.332 -1.243 20 0 CAADHN Cc1nnc(CC(=O)NCCN[C@H]2CCN(C)C2=O)o1 ZINC001126672224 775647337 /nfs/dbraw/zinc/64/73/37/775647337.db2.gz LSIKIMGSFVJZEI-VIFPVBQESA-N 0 3 281.316 -1.143 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCn1cnnn1 ZINC000987247824 775647560 /nfs/dbraw/zinc/64/75/60/775647560.db2.gz IDGZADSZYPGXSQ-BDAKNGLRSA-N 0 3 281.320 -1.873 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCn1cnnn1 ZINC000987247827 775647637 /nfs/dbraw/zinc/64/76/37/775647637.db2.gz IDGZADSZYPGXSQ-RKDXNWHRSA-N 0 3 281.320 -1.873 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@@H]2CCCNC2=O)n1 ZINC001126677956 775647650 /nfs/dbraw/zinc/64/76/50/775647650.db2.gz JMGAXBGEXADVJX-MRVPVSSYSA-N 0 3 266.305 -1.587 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(=O)N2CCOCC2)n1 ZINC001126677721 775647726 /nfs/dbraw/zinc/64/77/26/775647726.db2.gz CUFFICUHDKOZRF-UHFFFAOYSA-N 0 3 296.331 -2.007 20 0 CAADHN Cc1nnc(CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O)o1 ZINC001126672049 775647891 /nfs/dbraw/zinc/64/78/91/775647891.db2.gz IPUHYTUKBUUJCN-LURJTMIESA-N 0 3 298.303 -1.790 20 0 CAADHN CNC(=O)CNCCNC(=O)CCNC(=O)NC ZINC001126689267 775648607 /nfs/dbraw/zinc/64/86/07/775648607.db2.gz VFQALRQSOAUVSJ-UHFFFAOYSA-N 0 3 259.310 -2.243 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CCNC(=O)NC ZINC001126689283 775649115 /nfs/dbraw/zinc/64/91/15/775649115.db2.gz VPDPFQNYDOCDHS-UHFFFAOYSA-N 0 3 287.364 -1.510 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@@H]2CCCN(C)C2=O)n1 ZINC001126678396 775649404 /nfs/dbraw/zinc/64/94/04/775649404.db2.gz YPQIYOVMULWOKQ-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)NCCC(=O)NCCNCC(=O)NCC1CC1 ZINC001126688967 775649798 /nfs/dbraw/zinc/64/97/98/775649798.db2.gz OEFYWEKQQWVSTQ-UHFFFAOYSA-N 0 3 299.375 -1.463 20 0 CAADHN CNC(=O)NCCC(=O)NCCNCC(=O)NC(C)C ZINC001126693008 775650676 /nfs/dbraw/zinc/65/06/76/775650676.db2.gz KNMXLDHAOYCDJZ-UHFFFAOYSA-N 0 3 287.364 -1.464 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001126697987 775650941 /nfs/dbraw/zinc/65/09/41/775650941.db2.gz JYTDEPHUPOGVKI-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001126697986 775650999 /nfs/dbraw/zinc/65/09/99/775650999.db2.gz JYTDEPHUPOGVKI-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@H](C)C(=O)NC ZINC001126693630 775651144 /nfs/dbraw/zinc/65/11/44/775651144.db2.gz YQXPTSZEVIKTNG-MRVPVSSYSA-N 0 3 273.337 -1.854 20 0 CAADHN CNC(=O)NCCC(=O)NCCNCC(=O)N1CCC1 ZINC001126688425 775651155 /nfs/dbraw/zinc/65/11/55/775651155.db2.gz IEPYVDWGTXGFPE-UHFFFAOYSA-N 0 3 285.348 -1.756 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ncn(C)n1 ZINC001126689504 775651187 /nfs/dbraw/zinc/65/11/87/775651187.db2.gz YGCRPEMAKBFZSQ-ZETCQYMHSA-N 0 3 297.319 -2.021 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001126693592 775651242 /nfs/dbraw/zinc/65/12/42/775651242.db2.gz XNYNKIWGCOEKLH-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN CNC(=O)NCCC(=O)NCCNCC(=O)NC(N)=O ZINC001126692563 775651541 /nfs/dbraw/zinc/65/15/41/775651541.db2.gz ANOANFFSFPSCPN-UHFFFAOYSA-N 0 3 288.308 -2.794 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001126692590 775651581 /nfs/dbraw/zinc/65/15/81/775651581.db2.gz BWVNJCLVOMDPKH-SECBINFHSA-N 0 3 285.348 -1.710 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001126693634 775651648 /nfs/dbraw/zinc/65/16/48/775651648.db2.gz YQXPTSZEVIKTNG-QMMMGPOBSA-N 0 3 273.337 -1.854 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@@H]2CCCNC2=O)n1 ZINC001126706518 775652616 /nfs/dbraw/zinc/65/26/16/775652616.db2.gz NPHOTMZGJZVCEV-SECBINFHSA-N 0 3 280.332 -1.104 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001126707030 775652946 /nfs/dbraw/zinc/65/29/46/775652946.db2.gz RUINBYFZGHRDPT-SSDOTTSWSA-N 0 3 254.294 -1.509 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@@H](C)C(=O)NC)n1 ZINC001126707387 775653084 /nfs/dbraw/zinc/65/30/84/775653084.db2.gz YXMNLTUFLXQCPJ-QMMMGPOBSA-N 0 3 268.321 -1.248 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)n1 ZINC001126705653 775653177 /nfs/dbraw/zinc/65/31/77/775653177.db2.gz CVRLMWRUBRYXLS-QMMMGPOBSA-N 0 3 294.315 -1.577 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001126706666 775653207 /nfs/dbraw/zinc/65/32/07/775653207.db2.gz PKNTXGSHFJHYHC-MRVPVSSYSA-N 0 3 266.305 -1.494 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075896410 775653275 /nfs/dbraw/zinc/65/32/75/775653275.db2.gz OFWYRNGXYWXTAL-LPEHRKFASA-N 0 3 296.327 -1.891 20 0 CAADHN CCn1ncc(C(=O)NCCNCC(=O)N2CCC2)n1 ZINC001126712239 775653371 /nfs/dbraw/zinc/65/33/71/775653371.db2.gz OUGAOPFUAVAEHP-UHFFFAOYSA-N 0 3 280.332 -1.150 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cnnn1CC)C(N)=O ZINC001126721557 775654437 /nfs/dbraw/zinc/65/44/37/775654437.db2.gz NAMCDNNXLVEAHL-MRVPVSSYSA-N 0 3 268.321 -1.119 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@H](C)C(N)=O ZINC001126720692 775654584 /nfs/dbraw/zinc/65/45/84/775654584.db2.gz BGHBMQZFWAVZAS-SSDOTTSWSA-N 0 3 254.294 -1.509 20 0 CAADHN CCn1nncc1C(=O)NCCNCC(=O)NC ZINC001126721587 775654827 /nfs/dbraw/zinc/65/48/27/775654827.db2.gz OQBMQHQYURCORC-UHFFFAOYSA-N 0 3 254.294 -1.637 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001126721189 775655432 /nfs/dbraw/zinc/65/54/32/775655432.db2.gz JZMXBHIKDRPKLL-SECBINFHSA-N 0 3 280.332 -1.104 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@H]1CCNC1=O ZINC001126732457 775660380 /nfs/dbraw/zinc/66/03/80/775660380.db2.gz IYUAWFWKKOPTRC-QMMMGPOBSA-N 0 3 266.305 -1.494 20 0 CAADHN CCn1nncc1C(=O)NCCNCC(=O)NC(=O)NC ZINC001126732472 775660396 /nfs/dbraw/zinc/66/03/96/775660396.db2.gz JRELJYZCMOKLLV-UHFFFAOYSA-N 0 3 297.319 -1.927 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001126733253 775660489 /nfs/dbraw/zinc/66/04/89/775660489.db2.gz RMYFRBNZHWPKSZ-SSDOTTSWSA-N 0 3 297.319 -1.799 20 0 CAADHN C[C@@H]1C[C@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)CC(N)=O ZINC000988431252 775661668 /nfs/dbraw/zinc/66/16/68/775661668.db2.gz KFKSLDBCPGLEHD-SFYZADRCSA-N 0 3 296.331 -1.937 20 0 CAADHN NC(=O)NC(=O)CNCCN(CCO)C(=O)C1CC1 ZINC001272090979 775664278 /nfs/dbraw/zinc/66/42/78/775664278.db2.gz LUKJJRVCHDIFPC-UHFFFAOYSA-N 0 3 272.305 -1.998 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)n1 ZINC001083442943 775667095 /nfs/dbraw/zinc/66/70/95/775667095.db2.gz MYFHNNFROVCTFX-MXWKQRLJSA-N 0 3 295.343 -1.374 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)nn1 ZINC001083443467 775667316 /nfs/dbraw/zinc/66/73/16/775667316.db2.gz LEPCGAGYJMIZLR-FOGDFJRCSA-N 0 3 295.343 -1.374 20 0 CAADHN CO[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1NC(=O)CC(N)=O ZINC001212071157 775669837 /nfs/dbraw/zinc/66/98/37/775669837.db2.gz JIOHDWGIRBCBME-GMTAPVOTSA-N 0 3 287.360 -1.162 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1ccccn1 ZINC001272096950 775670480 /nfs/dbraw/zinc/67/04/80/775670480.db2.gz QMZNQSROHRWTLQ-UHFFFAOYSA-N 0 3 266.301 -1.409 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)C1CCC1 ZINC001272097296 775671984 /nfs/dbraw/zinc/67/19/84/775671984.db2.gz YXZZDXKNQVHMAE-UHFFFAOYSA-N 0 3 257.334 -1.057 20 0 CAADHN CCN1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001083452415 775673936 /nfs/dbraw/zinc/67/39/36/775673936.db2.gz JASYKADRNYNKNM-BDAKNGLRSA-N 0 3 253.306 -1.163 20 0 CAADHN Cc1nc(CC(=O)N[C@@H]2CN(CCO)C[C@@H]2O)n[nH]1 ZINC001083453174 775675360 /nfs/dbraw/zinc/67/53/60/775675360.db2.gz SZQXROQRCURLDD-BDAKNGLRSA-N 0 3 269.305 -2.191 20 0 CAADHN CCN(C)C(=O)CNCCN(CCO)C(=O)c1cc[nH]n1 ZINC001272117021 775676107 /nfs/dbraw/zinc/67/61/07/775676107.db2.gz RBXNRIYNGMQDPX-UHFFFAOYSA-N 0 3 297.359 -1.088 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)Cn1cc(C)cn1 ZINC001272124373 775676447 /nfs/dbraw/zinc/67/64/47/775676447.db2.gz FOSDCWVPXYQESD-UHFFFAOYSA-N 0 3 297.359 -1.652 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)C[C@H]1CCCO1 ZINC001272117481 775676810 /nfs/dbraw/zinc/67/68/10/775676810.db2.gz XFPACSDNHDIBMD-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)Cc1cc[nH]n1 ZINC001272136056 775678073 /nfs/dbraw/zinc/67/80/73/775678073.db2.gz FEABNKGKQWOYQX-UHFFFAOYSA-N 0 3 283.332 -1.891 20 0 CAADHN CCn1cc(C(=O)N(CCO)CCNCC(N)=O)cn1 ZINC001272129473 775678080 /nfs/dbraw/zinc/67/80/80/775678080.db2.gz HWJDLRIIFBODBN-UHFFFAOYSA-N 0 3 283.332 -1.588 20 0 CAADHN Cc1nn(C)cc1CNCCN(CCO)C(=O)CC(N)=O ZINC001272129367 775677959 /nfs/dbraw/zinc/67/79/59/775677959.db2.gz GFQQHIGPCFZBIV-UHFFFAOYSA-N 0 3 297.359 -1.486 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)/C=C/c1ccc[nH]1 ZINC001272150489 775678178 /nfs/dbraw/zinc/67/81/78/775678178.db2.gz XIPRRNYXFMPULW-ONEGZZNKSA-N 0 3 280.328 -1.076 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)CC(C)(C)O ZINC001272155073 775678604 /nfs/dbraw/zinc/67/86/04/775678604.db2.gz OCTKCUJFZWKGDM-UHFFFAOYSA-N 0 3 289.376 -1.354 20 0 CAADHN Cn1cnc(C(=O)N(CCO)CCNCC(N)=O)c1 ZINC001272143346 775678650 /nfs/dbraw/zinc/67/86/50/775678650.db2.gz WXELTQXDAMAHKS-UHFFFAOYSA-N 0 3 269.305 -2.071 20 0 CAADHN Cc1ncoc1C(=O)N(CCO)CCNCC(N)=O ZINC001272135659 775678791 /nfs/dbraw/zinc/67/87/91/775678791.db2.gz AVFSDQGPGDEABH-UHFFFAOYSA-N 0 3 270.289 -1.508 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1CC1(F)F ZINC001272162733 775679675 /nfs/dbraw/zinc/67/96/75/775679675.db2.gz SNHLWCXPRSMENH-ZETCQYMHSA-N 0 3 265.260 -1.463 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cnnc(C)c1 ZINC001272154689 775679990 /nfs/dbraw/zinc/67/99/90/775679990.db2.gz LCTGCEHSPSANPE-UHFFFAOYSA-N 0 3 295.343 -1.445 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)Cn1ncnn1 ZINC001272168120 775681273 /nfs/dbraw/zinc/68/12/73/775681273.db2.gz DNRSVLXVRQQEBN-UHFFFAOYSA-N 0 3 299.335 -2.828 20 0 CAADHN COCCN1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C ZINC001088630598 775681448 /nfs/dbraw/zinc/68/14/48/775681448.db2.gz PIYWGIUOFMOXGN-UTLUCORTSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CC1(F)F)C(=O)NC(N)=O ZINC001126787572 775685635 /nfs/dbraw/zinc/68/56/35/775685635.db2.gz HHVHSHMMQOZVBP-NTSWFWBYSA-N 0 3 278.259 -1.069 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464470 775685720 /nfs/dbraw/zinc/68/57/20/775685720.db2.gz IYWBIFFUQOFMQL-BDAKNGLRSA-N 0 3 254.294 -1.757 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CC1(F)F)C(=O)NC(N)=O ZINC001126787575 775686021 /nfs/dbraw/zinc/68/60/21/775686021.db2.gz HHVHSHMMQOZVBP-WDSKDSINSA-N 0 3 278.259 -1.069 20 0 CAADHN CS(=O)(=O)CCC(=O)n1cnc(CN)cc1=N ZINC001142532874 775686129 /nfs/dbraw/zinc/68/61/29/775686129.db2.gz OGLSQNAKTHDUMQ-UHFFFAOYSA-N 0 3 258.303 -1.104 20 0 CAADHN Cc1nnccc1C(=O)N(CCO)CCNCC(N)=O ZINC001272202055 775686746 /nfs/dbraw/zinc/68/67/46/775686746.db2.gz JQSRPZOHCKIQQG-UHFFFAOYSA-N 0 3 281.316 -1.706 20 0 CAADHN Cn1cc(C(=O)N(CCO)CCNCC(N)=O)ccc1=O ZINC001272201797 775686811 /nfs/dbraw/zinc/68/68/11/775686811.db2.gz GDMCFCGRCUBLFA-UHFFFAOYSA-N 0 3 296.327 -2.105 20 0 CAADHN CN1CCC[C@H]1C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001168318221 775687631 /nfs/dbraw/zinc/68/76/31/775687631.db2.gz DNRZXAGKDYFXRZ-HLTSFMKQSA-N 0 3 268.317 -1.874 20 0 CAADHN CCc1n[nH]cc1C(=O)N(CCO)CCNCC(=O)NC ZINC001272201845 775687692 /nfs/dbraw/zinc/68/76/92/775687692.db2.gz HLYYBLFKIHDJLS-UHFFFAOYSA-N 0 3 297.359 -1.258 20 0 CAADHN O=C(CNCCNC(=O)c1ncc[nH]1)N1CCC1 ZINC001126801032 775690147 /nfs/dbraw/zinc/69/01/47/775690147.db2.gz PEHGGSUSYMSXCA-UHFFFAOYSA-N 0 3 251.290 -1.039 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)CCN1CCO ZINC001088714688 775690767 /nfs/dbraw/zinc/69/07/67/775690767.db2.gz WKFQOBJBVKIPIR-ZJUUUORDSA-N 0 3 296.327 -1.480 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ncc[nH]1 ZINC001126807190 775692677 /nfs/dbraw/zinc/69/26/77/775692677.db2.gz VIRLMQBZIGMJON-UHFFFAOYSA-N 0 3 268.277 -1.815 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)c1ncc[nH]1 ZINC001126810871 775692780 /nfs/dbraw/zinc/69/27/80/775692780.db2.gz MYAHVJVWALCMAI-UHFFFAOYSA-N 0 3 289.361 -1.332 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ncc[nH]1 ZINC001126823196 775694604 /nfs/dbraw/zinc/69/46/04/775694604.db2.gz RPQHMGUPEAOTFH-ZETCQYMHSA-N 0 3 282.304 -1.427 20 0 CAADHN O=C(CC1(O)CCC1)NCCN[C@@H]1CCNC1=O ZINC001126848540 775699787 /nfs/dbraw/zinc/69/97/87/775699787.db2.gz VLPHJMSOSQTTST-SECBINFHSA-N 0 3 255.318 -1.114 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083492935 775700325 /nfs/dbraw/zinc/70/03/25/775700325.db2.gz ZSPMGRQLZHMVGA-MNOVXSKESA-N 0 3 265.317 -1.151 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001083492227 775700549 /nfs/dbraw/zinc/70/05/49/775700549.db2.gz QQAYGODTBLMGFQ-UTUOFQBUSA-N 0 3 295.343 -1.524 20 0 CAADHN O=C(CC1(O)CCC1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126847967 775701084 /nfs/dbraw/zinc/70/10/84/775701084.db2.gz ILCUQNMJWNLXQX-SECBINFHSA-N 0 3 283.328 -1.198 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCNC2=O)CCN1CCO ZINC001088794721 775702274 /nfs/dbraw/zinc/70/22/74/775702274.db2.gz SKPDFOYCKQKUQS-UTLUCORTSA-N 0 3 255.318 -1.306 20 0 CAADHN Cc1c[nH]nc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126856438 775702653 /nfs/dbraw/zinc/70/26/53/775702653.db2.gz SBUUIHFIOQYKKJ-QMMMGPOBSA-N 0 3 279.300 -1.157 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCN1CCCO ZINC001088801059 775702954 /nfs/dbraw/zinc/70/29/54/775702954.db2.gz GZWYWWMOVXQGCS-BDAKNGLRSA-N 0 3 268.321 -1.215 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CCN1CCO ZINC001088796026 775703021 /nfs/dbraw/zinc/70/30/21/775703021.db2.gz UPGMTNFYGKBRKX-UTLUCORTSA-N 0 3 270.333 -1.419 20 0 CAADHN Cc1c[nH]nc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126856436 775703459 /nfs/dbraw/zinc/70/34/59/775703459.db2.gz SBUUIHFIOQYKKJ-MRVPVSSYSA-N 0 3 279.300 -1.157 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)CC1(O)CCC1 ZINC001126860709 775703755 /nfs/dbraw/zinc/70/37/55/775703755.db2.gz QOWGSCPPRSEPKU-UHFFFAOYSA-N 0 3 293.389 -1.454 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CCN1CCCO ZINC001088792870 775703782 /nfs/dbraw/zinc/70/37/82/775703782.db2.gz KFRWMQCEEXTADR-VWYCJHECSA-N 0 3 284.360 -1.029 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1n[nH]cc1C ZINC001126869760 775704852 /nfs/dbraw/zinc/70/48/52/775704852.db2.gz RFIJAXOBTLTONF-MRVPVSSYSA-N 0 3 296.331 -1.118 20 0 CAADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083505592 775706170 /nfs/dbraw/zinc/70/61/70/775706170.db2.gz UWPBPZLTFRGENH-UTUOFQBUSA-N 0 3 298.387 -1.493 20 0 CAADHN CC(C)N(C)CC(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001142590997 775707978 /nfs/dbraw/zinc/70/79/78/775707978.db2.gz XHULFJIYEMCVJK-VWYCJHECSA-N 0 3 256.354 -2.154 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001083534416 775713328 /nfs/dbraw/zinc/71/33/28/775713328.db2.gz UBEAMGGEOKFZFV-YIZRAAEISA-N 0 3 284.316 -1.846 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083534420 775713655 /nfs/dbraw/zinc/71/36/55/775713655.db2.gz UHORHLHSYAMEMX-AEJSXWLSSA-N 0 3 296.327 -1.844 20 0 CAADHN C[C@@H]1COCC[C@@H]1C(=O)N(CCO)CCNCC(N)=O ZINC001272250825 775714450 /nfs/dbraw/zinc/71/44/50/775714450.db2.gz GGNVOWORDVEAEZ-MNOVXSKESA-N 0 3 287.360 -1.445 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1CCCO ZINC001088829330 775714948 /nfs/dbraw/zinc/71/49/48/775714948.db2.gz NSCRVATVYNNBRJ-KXUCPTDWSA-N 0 3 270.333 -1.371 20 0 CAADHN C[C@H]1COCC[C@@H]1C(=O)N(CCO)CCNCC(N)=O ZINC001272250826 775715180 /nfs/dbraw/zinc/71/51/80/775715180.db2.gz GGNVOWORDVEAEZ-QWRGUYRKSA-N 0 3 287.360 -1.445 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001083537381 775716814 /nfs/dbraw/zinc/71/68/14/775716814.db2.gz RZTZSIGWFQKDRC-MNOVXSKESA-N 0 3 280.328 -1.036 20 0 CAADHN CN1CC[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1=O ZINC001076152290 775718920 /nfs/dbraw/zinc/71/89/20/775718920.db2.gz CJWOYGURTNDIFA-SDDRHHMPSA-N 0 3 281.356 -1.010 20 0 CAADHN C[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001076142375 775719521 /nfs/dbraw/zinc/71/95/21/775719521.db2.gz YLOWWPIRWHJMIH-KXUCPTDWSA-N 0 3 280.332 -1.263 20 0 CAADHN O=C([C@@H]1CCNC1=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076132082 775719662 /nfs/dbraw/zinc/71/96/62/775719662.db2.gz SVUIPVPTGPTSBA-HBNTYKKESA-N 0 3 267.329 -1.353 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2CN([C@H]3CCCNC3=O)C[C@H]21 ZINC001076198877 775721849 /nfs/dbraw/zinc/72/18/49/775721849.db2.gz REUSDTPAUWBQLM-LPEHRKFASA-N 0 3 280.328 -1.717 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076195195 775722243 /nfs/dbraw/zinc/72/22/43/775722243.db2.gz KWPSPCAMWVMJBN-LPEHRKFASA-N 0 3 268.317 -1.807 20 0 CAADHN CN1CCC[C@@H](N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1=O ZINC001076198979 775722728 /nfs/dbraw/zinc/72/27/28/775722728.db2.gz WQRYXDZTDXNNIW-HBNTYKKESA-N 0 3 294.355 -1.375 20 0 CAADHN NC(=O)CN1C[C@@H]2CCN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001076444615 775728873 /nfs/dbraw/zinc/72/88/73/775728873.db2.gz JTXKOVLSAZVONV-DTWKUNHWSA-N 0 3 278.316 -1.635 20 0 CAADHN O=C(CCn1cnnn1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076395628 775728900 /nfs/dbraw/zinc/72/89/00/775728900.db2.gz FYIMAUUBXBDEFB-WDEREUQCSA-N 0 3 280.332 -1.412 20 0 CAADHN O=C(Cc1nnc[nH]1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076445796 775729385 /nfs/dbraw/zinc/72/93/85/775729385.db2.gz LQCXFWFSKOOKNQ-VHSXEESVSA-N 0 3 265.317 -1.128 20 0 CAADHN Cc1ccc(C(=O)NCCN[C@H](C)C(N)=O)nn1 ZINC001126932492 775731083 /nfs/dbraw/zinc/73/10/83/775731083.db2.gz ZRIJAWOMCOSSJO-MRVPVSSYSA-N 0 3 251.290 -1.022 20 0 CAADHN Cn1nc(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)ccc1=O ZINC001076537625 775731418 /nfs/dbraw/zinc/73/14/18/775731418.db2.gz AKNPJCCDRTWVKG-CMPLNLGQSA-N 0 3 292.339 -1.081 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076544940 775732358 /nfs/dbraw/zinc/73/23/58/775732358.db2.gz GYMIQICJYRHEOY-VHSXEESVSA-N 0 3 296.327 -1.937 20 0 CAADHN Cc1ccc(C(=O)NCCN[C@@H](C)C(N)=O)nn1 ZINC001126932493 775732830 /nfs/dbraw/zinc/73/28/30/775732830.db2.gz ZRIJAWOMCOSSJO-QMMMGPOBSA-N 0 3 251.290 -1.022 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)n(C)c1=O ZINC001076614978 775734665 /nfs/dbraw/zinc/73/46/65/775734665.db2.gz HMWRCYCMALZHDG-WDEREUQCSA-N 0 3 294.355 -1.138 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001076723359 775745136 /nfs/dbraw/zinc/74/51/36/775745136.db2.gz XSGDFGPZQIUZFW-GMTAPVOTSA-N 0 3 296.331 -2.129 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076723372 775745339 /nfs/dbraw/zinc/74/53/39/775745339.db2.gz YFNXIHXQLCPBPS-NXEZZACHSA-N 0 3 268.321 -1.510 20 0 CAADHN Cc1cn(C)nc1C(=O)NCCN[C@H](C)C(N)=O ZINC001126948775 775754430 /nfs/dbraw/zinc/75/44/30/775754430.db2.gz HYMASFFSFWOKDR-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN Cc1cn(C)nc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126948523 775754677 /nfs/dbraw/zinc/75/46/77/775754677.db2.gz BNWIXRBUWAGVFG-VIFPVBQESA-N 0 3 293.327 -1.147 20 0 CAADHN Cc1cn(C)nc1C(=O)NCCN[C@H]1CCNC1=O ZINC001126948620 775754993 /nfs/dbraw/zinc/75/49/93/775754993.db2.gz FMFUHOLBOHWJIY-VIFPVBQESA-N 0 3 265.317 -1.064 20 0 CAADHN CN1CCC[C@@H]1C(=O)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001076805558 775758788 /nfs/dbraw/zinc/75/87/88/775758788.db2.gz MHSRHEQNXTVSGU-IJLUTSLNSA-N 0 3 271.361 -1.376 20 0 CAADHN Cc1cn(C)nc1C(=O)NCCNCC(=O)NC(N)=O ZINC001126949715 775759649 /nfs/dbraw/zinc/75/96/49/775759649.db2.gz WWZUKLAIZFVOQE-UHFFFAOYSA-N 0 3 282.304 -1.757 20 0 CAADHN COCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001076805631 775759689 /nfs/dbraw/zinc/75/96/89/775759689.db2.gz ONFAPMSIOGQQLK-GRYCIOLGSA-N 0 3 271.361 -1.112 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001076838841 775763074 /nfs/dbraw/zinc/76/30/74/775763074.db2.gz OFJBQAIBOHPKPL-IJLUTSLNSA-N 0 3 271.361 -1.112 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)C1 ZINC001076835550 775763427 /nfs/dbraw/zinc/76/34/27/775763427.db2.gz BKHKITKYMWUFCC-UPJWGTAASA-N 0 3 283.372 -1.112 20 0 CAADHN Cc1cc(CC(=O)N[C@@H]2CN(C[C@H](C)O)C[C@H]2O)[nH]n1 ZINC001076870239 775767710 /nfs/dbraw/zinc/76/77/10/775767710.db2.gz PNPYDNHFQWLUHY-MVWJERBFSA-N 0 3 282.344 -1.197 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001076904123 775771268 /nfs/dbraw/zinc/77/12/68/775771268.db2.gz HZPZMYNCICYCPT-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001076908769 775774524 /nfs/dbraw/zinc/77/45/24/775774524.db2.gz QKFMGWCQRIOFAN-GRYCIOLGSA-N 0 3 271.361 -1.112 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001076908770 775774653 /nfs/dbraw/zinc/77/46/53/775774653.db2.gz QKFMGWCQRIOFAN-IJLUTSLNSA-N 0 3 271.361 -1.112 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001076942702 775778576 /nfs/dbraw/zinc/77/85/76/775778576.db2.gz XHXGEFLPKLCCCX-HRDYMLBCSA-N 0 3 257.290 -1.336 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@@H]1COC(=O)N1 ZINC001076946625 775780481 /nfs/dbraw/zinc/78/04/81/775780481.db2.gz BPQCJSIYQDOCDR-KXUCPTDWSA-N 0 3 269.301 -1.334 20 0 CAADHN CCN1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001076980536 775785091 /nfs/dbraw/zinc/78/50/91/775785091.db2.gz JASYKADRNYNKNM-RKDXNWHRSA-N 0 3 253.306 -1.163 20 0 CAADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001076986063 775785314 /nfs/dbraw/zinc/78/53/14/775785314.db2.gz ISGDIDXVLLMELO-GRYCIOLGSA-N 0 3 298.387 -1.494 20 0 CAADHN Cc1nc(CC(=O)N[C@@H]2CN(CCO)C[C@H]2O)n[nH]1 ZINC001076978556 775786076 /nfs/dbraw/zinc/78/60/76/775786076.db2.gz SZQXROQRCURLDD-RKDXNWHRSA-N 0 3 269.305 -2.191 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CN(CCC2CC2)C[C@H]1O ZINC001077003233 775787533 /nfs/dbraw/zinc/78/75/33/775787533.db2.gz ZLINLHIBLLWKST-GHMZBOCLSA-N 0 3 280.332 -1.366 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077001689 775787628 /nfs/dbraw/zinc/78/76/28/775787628.db2.gz HFRUNYMFHQPRFF-NXEZZACHSA-N 0 3 266.305 -1.756 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)Cn2nccn2)C1 ZINC001077063312 775791629 /nfs/dbraw/zinc/79/16/29/775791629.db2.gz HGCKBHBREBTCBK-NXEZZACHSA-N 0 3 253.306 -1.152 20 0 CAADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001077092450 775795161 /nfs/dbraw/zinc/79/51/61/775795161.db2.gz UWPBPZLTFRGENH-GRYCIOLGSA-N 0 3 298.387 -1.493 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077141990 775797672 /nfs/dbraw/zinc/79/76/72/775797672.db2.gz MLKCFUWLFMRACF-GHMZBOCLSA-N 0 3 285.344 -1.584 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077142168 775797837 /nfs/dbraw/zinc/79/78/37/775797837.db2.gz VMPQSWUOXFHWTC-GHMZBOCLSA-N 0 3 285.344 -1.585 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001077163453 775799169 /nfs/dbraw/zinc/79/91/69/775799169.db2.gz RZTZSIGWFQKDRC-GHMZBOCLSA-N 0 3 280.328 -1.036 20 0 CAADHN COC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077289322 775810797 /nfs/dbraw/zinc/81/07/97/775810797.db2.gz JZXACFUTPKRLGM-SZEHBUNVSA-N 0 3 269.305 -1.386 20 0 CAADHN COC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077289321 775811332 /nfs/dbraw/zinc/81/13/32/775811332.db2.gz JZXACFUTPKRLGM-FXBDTBDDSA-N 0 3 269.305 -1.386 20 0 CAADHN CO[C@@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077287250 775811728 /nfs/dbraw/zinc/81/17/28/775811728.db2.gz QQWFFUYMWNGTLL-FXBDTBDDSA-N 0 3 269.305 -1.386 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077321688 775816751 /nfs/dbraw/zinc/81/67/51/775816751.db2.gz IVFSUDPBYGWUFK-NXEZZACHSA-N 0 3 296.327 -1.481 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cc1ccn(C)n1 ZINC001126971916 775817302 /nfs/dbraw/zinc/81/73/02/775817302.db2.gz WZWSGUIJYGQXOU-UHFFFAOYSA-N 0 3 267.333 -1.243 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001077322878 775817452 /nfs/dbraw/zinc/81/74/52/775817452.db2.gz MRVGZNPVVDGGKE-NXEZZACHSA-N 0 3 296.327 -1.480 20 0 CAADHN Cn1ccc(CC(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001126971553 775818595 /nfs/dbraw/zinc/81/85/95/775818595.db2.gz HYOHVVRWURQMKU-SNVBAGLBSA-N 0 3 265.317 -1.443 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001126972023 775819861 /nfs/dbraw/zinc/81/98/61/775819861.db2.gz ZNBHGSBDWNYSRM-MRVPVSSYSA-N 0 3 253.306 -1.458 20 0 CAADHN C[C@H](NCCNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001126972024 775820772 /nfs/dbraw/zinc/82/07/72/775820772.db2.gz ZNBHGSBDWNYSRM-QMMMGPOBSA-N 0 3 253.306 -1.458 20 0 CAADHN COCC1(CC(=O)NCCNCC(=O)NC(N)=O)CC1 ZINC001126979563 775822153 /nfs/dbraw/zinc/82/21/53/775822153.db2.gz LTOIBIWSVFYLMW-UHFFFAOYSA-N 0 3 286.332 -1.296 20 0 CAADHN Cn1ccc(CC(=O)NCCN[C@H]2CCN(C)C2=O)n1 ZINC001126976253 775823243 /nfs/dbraw/zinc/82/32/43/775823243.db2.gz UQQKWQPVUURHCY-NSHDSACASA-N 0 3 279.344 -1.101 20 0 CAADHN CCO[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C(C)C ZINC001126995017 775826279 /nfs/dbraw/zinc/82/62/79/775826279.db2.gz NEEJVEGDESVEPR-SNVBAGLBSA-N 0 3 288.348 -1.052 20 0 CAADHN CCO[C@H](C(=O)NCCNCC(=O)NC(N)=O)C(C)C ZINC001126995016 775826381 /nfs/dbraw/zinc/82/63/81/775826381.db2.gz NEEJVEGDESVEPR-JTQLQIEISA-N 0 3 288.348 -1.052 20 0 CAADHN O=C(N[C@@H]1CN(CCCO)C[C@@H]1O)c1cn[nH]n1 ZINC001083596996 775829787 /nfs/dbraw/zinc/82/97/87/775829787.db2.gz XSLVDJFFNCRMHW-BDAKNGLRSA-N 0 3 255.278 -2.038 20 0 CAADHN C[C@@H](O)CN1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083598104 775831205 /nfs/dbraw/zinc/83/12/05/775831205.db2.gz FILIQPHZPVBTEQ-VDAHYXPESA-N 0 3 255.278 -2.040 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1ccnnc1 ZINC001272264860 775832981 /nfs/dbraw/zinc/83/29/81/775832981.db2.gz IBJYQUUUJRVHOY-UHFFFAOYSA-N 0 3 295.343 -1.411 20 0 CAADHN CCCN1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001083613270 775835095 /nfs/dbraw/zinc/83/50/95/775835095.db2.gz MRVGZNPVVDGGKE-ZJUUUORDSA-N 0 3 296.327 -1.480 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(CCOC)nn1 ZINC001127027346 775836957 /nfs/dbraw/zinc/83/69/57/775836957.db2.gz ONSQDXLNUJIPAU-UHFFFAOYSA-N 0 3 284.320 -2.010 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)N1CCCC1)C(N)=O ZINC001127034992 775840454 /nfs/dbraw/zinc/84/04/54/775840454.db2.gz BRDLZQIMUWGRHX-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CNC(=O)N1CCCC1 ZINC001127035776 775840820 /nfs/dbraw/zinc/84/08/20/775840820.db2.gz QQRGQWOHMVVEJL-UHFFFAOYSA-N 0 3 299.375 -1.414 20 0 CAADHN Cc1cncn1CC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@@H]1O ZINC001083645402 775841985 /nfs/dbraw/zinc/84/19/85/775841985.db2.gz ZBYDLNJEUWQYQJ-UTUOFQBUSA-N 0 3 282.344 -1.266 20 0 CAADHN Cc1cncn1CC(=O)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001083644933 775842426 /nfs/dbraw/zinc/84/24/26/775842426.db2.gz CQKCWQZGMZUYFN-NEPJUHHUSA-N 0 3 282.344 -1.265 20 0 CAADHN Cc1cncn1CC(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083645225 775842735 /nfs/dbraw/zinc/84/27/35/775842735.db2.gz QLKUOAXUAYJZAQ-MNOVXSKESA-N 0 3 268.317 -1.655 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cn(CCOC)nn1 ZINC001127056565 775844401 /nfs/dbraw/zinc/84/44/01/775844401.db2.gz CMXNCZNERHAYEX-UHFFFAOYSA-N 0 3 298.347 -1.620 20 0 CAADHN COCCn1cc(C(=O)NCCNCC(=O)N(C)C)nn1 ZINC001127057072 775845238 /nfs/dbraw/zinc/84/52/38/775845238.db2.gz UPDHUDGVONLZID-UHFFFAOYSA-N 0 3 298.347 -1.668 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cn(CCOC)nn1 ZINC001127056993 775845286 /nfs/dbraw/zinc/84/52/86/775845286.db2.gz QOOQBBDJOJJXNB-VIFPVBQESA-N 0 3 298.347 -1.622 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cn(CCOC)nn1)C(N)=O ZINC001127056722 775845328 /nfs/dbraw/zinc/84/53/28/775845328.db2.gz HDFDBMIFAXREDH-SECBINFHSA-N 0 3 298.347 -1.492 20 0 CAADHN COCCn1cc(C(=O)NCCN[C@@H]2CCNC2=O)nn1 ZINC001127056820 775845396 /nfs/dbraw/zinc/84/53/96/775845396.db2.gz KLHSGPRGDJOTOW-SECBINFHSA-N 0 3 296.331 -1.868 20 0 CAADHN CC(C)[C@H]1CN(C(=O)CCNC(=O)CO)CCN1 ZINC000912767424 775847525 /nfs/dbraw/zinc/84/75/25/775847525.db2.gz LOGIATFMNMCYEW-SNVBAGLBSA-N 0 3 257.334 -1.059 20 0 CAADHN COCCOc1cc(C(=O)NCCNCC(N)=O)ccn1 ZINC001127079065 775849846 /nfs/dbraw/zinc/84/98/46/775849846.db2.gz WYSYIJJMFJTSIX-UHFFFAOYSA-N 0 3 296.327 -1.089 20 0 CAADHN CNS(=O)(=O)CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001127081808 775850368 /nfs/dbraw/zinc/85/03/68/775850368.db2.gz CAEBBHJSFYSWNX-MRVPVSSYSA-N 0 3 292.361 -2.480 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCS(=O)(=O)NC ZINC001127082086 775850638 /nfs/dbraw/zinc/85/06/38/775850638.db2.gz KTDHVHFXDBHNQM-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN CNS(=O)(=O)CCC(=O)NCCN[C@H](C)C(N)=O ZINC001127081746 775851280 /nfs/dbraw/zinc/85/12/80/775851280.db2.gz ANAPICVAPFQZAY-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN CC[C@@H](NCCNC(=O)CCS(=O)(=O)NC)C(N)=O ZINC001127088001 775852403 /nfs/dbraw/zinc/85/24/03/775852403.db2.gz JAIVTMBHHKLLMW-MRVPVSSYSA-N 0 3 294.377 -2.105 20 0 CAADHN CN(C)S(=O)(=O)N(C)CC(=O)NCCNCCF ZINC001127100176 775854325 /nfs/dbraw/zinc/85/43/25/775854325.db2.gz SJGZEPNAVQSSPE-UHFFFAOYSA-N 0 3 284.357 -1.600 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)COC ZINC001272343115 775894750 /nfs/dbraw/zinc/89/47/50/775894750.db2.gz KXJRQOHWAULBNB-VIFPVBQESA-N 0 3 261.322 -1.822 20 0 CAADHN O=C(CNCCNC(=O)CO[C@H]1CCOC1)NC1CC1 ZINC001127133633 775862602 /nfs/dbraw/zinc/86/26/02/775862602.db2.gz ADFQAISOZPCIKP-NSHDSACASA-N 0 3 285.344 -1.224 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CCCOC)C[C@H]1OC ZINC001212163612 775862686 /nfs/dbraw/zinc/86/26/86/775862686.db2.gz CUYAJOYAWCFZMN-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CO[C@@H]1CCOC1 ZINC001127134957 775863433 /nfs/dbraw/zinc/86/34/33/775863433.db2.gz RTDMXEOWLKKNPS-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CO[C@H]1CCOC1 ZINC001127134806 775864269 /nfs/dbraw/zinc/86/42/69/775864269.db2.gz QOYBBJAEDMHQKC-QMMMGPOBSA-N 0 3 288.304 -2.307 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CO[C@@H]1CCOC1 ZINC001127135005 775864610 /nfs/dbraw/zinc/86/46/10/775864610.db2.gz SXBYZLPXCRIXEI-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN O=C(CO[C@H]1CCOC1)NCCN[C@H]1CCCNC1=O ZINC001127134787 775864415 /nfs/dbraw/zinc/86/44/15/775864415.db2.gz PQBTWYAGMWGLRX-QWRGUYRKSA-N 0 3 285.344 -1.224 20 0 CAADHN O=C(CO[C@@H]1CCOC1)NCCN[C@@H]1CCNC1=O ZINC001127135038 775865851 /nfs/dbraw/zinc/86/58/51/775865851.db2.gz UTSBFHKIBWKLLA-NXEZZACHSA-N 0 3 271.317 -1.614 20 0 CAADHN O=C(CO[C@H]1CCOC1)NCCN[C@H]1CCNC1=O ZINC001127135039 775866095 /nfs/dbraw/zinc/86/60/95/775866095.db2.gz UTSBFHKIBWKLLA-UWVGGRQHSA-N 0 3 271.317 -1.614 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CO[C@H]2CCOC2)C1=O ZINC001127142460 775866438 /nfs/dbraw/zinc/86/64/38/775866438.db2.gz NKLUOGSLPHGQEW-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@H](NCCNC(=O)CO[C@@H]1CCOC1)C(=O)N(C)C ZINC001127140147 775866692 /nfs/dbraw/zinc/86/66/92/775866692.db2.gz CRLGNGMXPBOPAC-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](NCCNC(=O)CO[C@@H]1CCOC1)C(N)=O ZINC001127140700 775867372 /nfs/dbraw/zinc/86/73/72/775867372.db2.gz GPWLOLKADFSBJK-DTWKUNHWSA-N 0 3 259.306 -1.629 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CO[C@H]1CCOC1 ZINC001127142166 775867404 /nfs/dbraw/zinc/86/74/04/775867404.db2.gz NKIGLKXQXUJBLK-UWVGGRQHSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@H](CC(=O)NCCNCC(=O)N1CCC1)NC(N)=O ZINC001127154716 775867808 /nfs/dbraw/zinc/86/78/08/775867808.db2.gz KZMNHMJMDKNKNK-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN C[C@H](CC(=O)NCCN[C@@H]1CCC(=O)NC1=O)NC(N)=O ZINC001127148085 775867887 /nfs/dbraw/zinc/86/78/87/775867887.db2.gz NLMZGHCHLBPCSN-HTQZYQBOSA-N 0 3 299.331 -2.056 20 0 CAADHN C[C@@H](CC(=O)NCCNCC(=O)NC(N)=O)NC(N)=O ZINC001127153892 775867931 /nfs/dbraw/zinc/86/79/31/775867931.db2.gz FVPPCDLCOCKOJV-LURJTMIESA-N 0 3 288.308 -2.666 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@H](C)NC(N)=O ZINC001127154404 775868083 /nfs/dbraw/zinc/86/80/83/775868083.db2.gz JKRVSPHBQJAIGH-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN CC[C@H](NCCNC(=O)CO[C@H]1CCOC1)C(N)=O ZINC001127143004 775868240 /nfs/dbraw/zinc/86/82/40/775868240.db2.gz VSKFODIFNWBFJT-UWVGGRQHSA-N 0 3 273.333 -1.238 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@@H]1CCCN(C)C1=O)NC(N)=O ZINC001127148465 775868480 /nfs/dbraw/zinc/86/84/80/775868480.db2.gz VKAWASRVGZQARH-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CC(=O)NCCN[C@H]1CCN(C)C1=O)NC(N)=O ZINC001127153839 775868491 /nfs/dbraw/zinc/86/84/91/775868491.db2.gz DUEGWYIGNZBCHP-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CC(=O)NCCN[C@H]1CCC(=O)NC1=O)NC(N)=O ZINC001127148087 775868921 /nfs/dbraw/zinc/86/89/21/775868921.db2.gz NLMZGHCHLBPCSN-SFYZADRCSA-N 0 3 299.331 -2.056 20 0 CAADHN C[C@H](CC(=O)NCCN[C@@H](C)C(N)=O)NC(N)=O ZINC001127147183 775868993 /nfs/dbraw/zinc/86/89/93/775868993.db2.gz GTPMMVFVQOOWIB-RQJHMYQMSA-N 0 3 259.310 -1.987 20 0 CAADHN C[C@@H](CC(=O)NCCNCC(=O)N1CCC1)NC(N)=O ZINC001127154717 775869018 /nfs/dbraw/zinc/86/90/18/775869018.db2.gz KZMNHMJMDKNKNK-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@H](C)NC(N)=O)C(N)=O ZINC001127153924 775869045 /nfs/dbraw/zinc/86/90/45/775869045.db2.gz GOGOWUHVOPOHSA-JGVFFNPUSA-N 0 3 273.337 -1.597 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@@H](C)NC(N)=O ZINC001127154399 775869172 /nfs/dbraw/zinc/86/91/72/775869172.db2.gz JKRVSPHBQJAIGH-HTQZYQBOSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@H](CC(=O)NCCN[C@@H](C)C(=O)N(C)C)NC(N)=O ZINC001127157357 775870004 /nfs/dbraw/zinc/87/00/04/775870004.db2.gz ZPDZEVFBQHNLHB-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C[C@H](C)NC(N)=O ZINC001127161174 775870313 /nfs/dbraw/zinc/87/03/13/775870313.db2.gz DDORPWREXWLPHC-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)C[C@@H](C)NC(N)=O)C1=O ZINC001127155057 775870442 /nfs/dbraw/zinc/87/04/42/775870442.db2.gz OIGJZIWCTFSRGG-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@@H]1CCNC1=O)NC(N)=O ZINC001127163596 775870978 /nfs/dbraw/zinc/87/09/78/775870978.db2.gz YFYLUJKGJOXAND-JGVFFNPUSA-N 0 3 271.321 -1.972 20 0 CAADHN C[C@@H](CC(=O)NCCNCC(=O)NC1CC1)NC(N)=O ZINC001127161674 775871010 /nfs/dbraw/zinc/87/10/10/775871010.db2.gz GZNOEVSUGQGETO-QMMMGPOBSA-N 0 3 285.348 -1.582 20 0 CAADHN C[C@H](CC(=O)NCCN[C@H]1CCCNC1=O)NC(N)=O ZINC001127163605 775871667 /nfs/dbraw/zinc/87/16/67/775871667.db2.gz YPHSLJGXSCACKX-BDAKNGLRSA-N 0 3 285.348 -1.582 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@H]1CCNC1=O)NC(N)=O ZINC001127163598 775872117 /nfs/dbraw/zinc/87/21/17/775872117.db2.gz YFYLUJKGJOXAND-YUMQZZPRSA-N 0 3 271.321 -1.972 20 0 CAADHN C[C@H](CC(=O)NCCN[C@H]1CCNC1=O)NC(N)=O ZINC001127163597 775872334 /nfs/dbraw/zinc/87/23/34/775872334.db2.gz YFYLUJKGJOXAND-SFYZADRCSA-N 0 3 271.321 -1.972 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@H]1CCCNC1=O)NC(N)=O ZINC001127163607 775872650 /nfs/dbraw/zinc/87/26/50/775872650.db2.gz YPHSLJGXSCACKX-IUCAKERBSA-N 0 3 285.348 -1.582 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1cccc(C)c1=O ZINC001127181824 775875342 /nfs/dbraw/zinc/87/53/42/775875342.db2.gz SZYAJFZSUXHKGV-LLVKDONJSA-N 0 3 294.355 -1.003 20 0 CAADHN Cc1cccn(CC(=O)NCCN[C@@H]2CCNC2=O)c1=O ZINC001127180846 775875519 /nfs/dbraw/zinc/87/55/19/775875519.db2.gz DLIFJINDKNJYOY-LLVKDONJSA-N 0 3 292.339 -1.249 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1CCO ZINC001088855216 775876046 /nfs/dbraw/zinc/87/60/46/775876046.db2.gz VRIFQODOQRWHTE-VPOLOUISSA-N 0 3 285.344 -1.409 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN1CCO ZINC001088888396 775881838 /nfs/dbraw/zinc/88/18/38/775881838.db2.gz NHCQWNKFHMLUHL-VGMNWLOBSA-N 0 3 284.316 -1.844 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)c2ncn[nH]2)[C@H]1C ZINC001088929032 775884011 /nfs/dbraw/zinc/88/40/11/775884011.db2.gz GCAHITJWNVGVLF-SFYZADRCSA-N 0 3 266.305 -1.257 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H]1C ZINC001089026529 775885046 /nfs/dbraw/zinc/88/50/46/775885046.db2.gz ONBHIHJUEIKMKG-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCN1CCO ZINC001089026667 775885904 /nfs/dbraw/zinc/88/59/04/775885904.db2.gz XNUGDHYAJKOTFW-BDAKNGLRSA-N 0 3 284.316 -1.891 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001089060274 775886173 /nfs/dbraw/zinc/88/61/73/775886173.db2.gz BXIYSOULHBXKGJ-BDAKNGLRSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN1CCO ZINC001089046737 775886298 /nfs/dbraw/zinc/88/62/98/775886298.db2.gz XGDILOYEKHNPAG-UTLUCORTSA-N 0 3 291.373 -1.751 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CCN1CCO ZINC001089089528 775887799 /nfs/dbraw/zinc/88/77/99/775887799.db2.gz YAIAXXRHAQEETJ-UTLUCORTSA-N 0 3 283.328 -1.390 20 0 CAADHN COCCn1ncc(C(=O)NCCNCC(N)=O)c1C ZINC001127216657 775887488 /nfs/dbraw/zinc/88/74/88/775887488.db2.gz FOOUWIOQFKFIKK-UHFFFAOYSA-N 0 3 283.332 -1.357 20 0 CAADHN CCn1cc(C(=O)N(CCO)CCNCC(=O)NC)nn1 ZINC001272284434 775888174 /nfs/dbraw/zinc/88/81/74/775888174.db2.gz KQZKCKKJMLZYKF-UHFFFAOYSA-N 0 3 298.347 -1.932 20 0 CAADHN CC(C)(C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)N1CCCC1 ZINC001077504949 775895655 /nfs/dbraw/zinc/89/56/55/775895655.db2.gz GREKKQQZCUHULB-GHMZBOCLSA-N 0 3 298.387 -1.493 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)NCc1ccco1 ZINC001272344120 775896991 /nfs/dbraw/zinc/89/69/91/775896991.db2.gz QOIOPLODRXGTHA-JTQLQIEISA-N 0 3 269.301 -1.018 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)C(F)F)n[nH]1 ZINC001272352970 775897045 /nfs/dbraw/zinc/89/70/45/775897045.db2.gz WVUIFHQNWSPMKM-LURJTMIESA-N 0 3 263.248 -1.055 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C(C)(C)F ZINC001272351203 775897093 /nfs/dbraw/zinc/89/70/93/775897093.db2.gz GJUMCUSBKWFCBA-YUMQZZPRSA-N 0 3 263.313 -1.064 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCC(=O)NC1=O)C(F)F ZINC001272351408 775897205 /nfs/dbraw/zinc/89/72/05/775897205.db2.gz JYAUZESPRZQCDN-NTSWFWBYSA-N 0 3 279.243 -1.877 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C(F)F)C(=O)N(C)C ZINC001272350723 775897501 /nfs/dbraw/zinc/89/75/01/775897501.db2.gz DDOWNEJLGCDUBQ-RNFRBKRXSA-N 0 3 267.276 -1.205 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C(C)(C)F ZINC001272351197 775897574 /nfs/dbraw/zinc/89/75/74/775897574.db2.gz GJUMCUSBKWFCBA-HTQZYQBOSA-N 0 3 263.313 -1.064 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)C(F)F)n[nH]1 ZINC001272352972 775897599 /nfs/dbraw/zinc/89/75/99/775897599.db2.gz WVUIFHQNWSPMKM-ZCFIWIBFSA-N 0 3 263.248 -1.055 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001077510050 775897700 /nfs/dbraw/zinc/89/77/00/775897700.db2.gz FNCSSJBVKLNVCW-KXUCPTDWSA-N 0 3 270.333 -1.420 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CC1CC1 ZINC001272350725 775898116 /nfs/dbraw/zinc/89/81/16/775898116.db2.gz DEVSFADTNOMZAD-JTQLQIEISA-N 0 3 257.334 -1.059 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)C(F)F ZINC001272350920 775898152 /nfs/dbraw/zinc/89/81/52/775898152.db2.gz FETCVURGYGQUSP-SSDOTTSWSA-N 0 3 267.276 -1.157 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)C(C)(C)F ZINC001272352497 775898214 /nfs/dbraw/zinc/89/82/14/775898214.db2.gz VLEOXIHDFLKXAV-QMMMGPOBSA-N 0 3 263.313 -1.063 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001077510447 775899056 /nfs/dbraw/zinc/89/90/56/775899056.db2.gz VMBHTZUWUNBCJU-OPRDCNLKSA-N 0 3 270.333 -1.419 20 0 CAADHN O=C(NC[C@H](O)CNCCF)[C@@H]1COCCO1 ZINC001272370656 775899198 /nfs/dbraw/zinc/89/91/98/775899198.db2.gz FVCJVNNLHWVCCZ-BDAKNGLRSA-N 0 3 250.270 -1.562 20 0 CAADHN C/C(=C/C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)C1CC1 ZINC001272371247 775899360 /nfs/dbraw/zinc/89/93/60/775899360.db2.gz KIMIXFNPRQFZNB-NAXAJZLFSA-N 0 3 298.343 -1.396 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnns1 ZINC001272370557 775899769 /nfs/dbraw/zinc/89/97/69/775899769.db2.gz DOEAPOLFBFUQRD-YFKPBYRVSA-N 0 3 259.291 -2.296 20 0 CAADHN Cc1ccoc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001272361191 775899926 /nfs/dbraw/zinc/89/99/26/775899926.db2.gz FRKXKIARNXJGTC-QMMMGPOBSA-N 0 3 255.274 -1.246 20 0 CAADHN CC(C)C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001272370806 775900012 /nfs/dbraw/zinc/90/00/12/775900012.db2.gz GOZHUFMYQUTJNB-JTQLQIEISA-N 0 3 257.334 -1.059 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)NC1=O ZINC001077510400 775900140 /nfs/dbraw/zinc/90/01/40/775900140.db2.gz SSFQRLRVMXZTSS-IJLUTSLNSA-N 0 3 296.371 -1.029 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001272362446 775900205 /nfs/dbraw/zinc/90/02/05/775900205.db2.gz OAZPXMLOYNBTKC-SVRRBLITSA-N 0 3 260.294 -2.937 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001272371600 775901263 /nfs/dbraw/zinc/90/12/63/775901263.db2.gz MLXOUFVQUCDPBE-SECBINFHSA-N 0 3 269.305 -1.774 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccon1 ZINC001272373242 775901283 /nfs/dbraw/zinc/90/12/83/775901283.db2.gz VUGQRMKXWGONPC-JGVFFNPUSA-N 0 3 268.273 -1.757 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)C(=O)C(C)(C)C)C(N)=O ZINC001272380122 775901713 /nfs/dbraw/zinc/90/17/13/775901713.db2.gz LZTVIRCAWWKTLB-IUCAKERBSA-N 0 3 287.360 -1.068 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccnc(F)c1 ZINC001272371481 775902094 /nfs/dbraw/zinc/90/20/94/775902094.db2.gz MBZBHSHOIOSKOB-VIFPVBQESA-N 0 3 284.291 -1.353 20 0 CAADHN CCOCCC(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001272378323 775903236 /nfs/dbraw/zinc/90/32/36/775903236.db2.gz BYHDCQIVMOJRDL-QWRGUYRKSA-N 0 3 287.360 -1.242 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001272389649 775903296 /nfs/dbraw/zinc/90/32/96/775903296.db2.gz QBRAEQLSHKSYQI-UXCLJVHYSA-N 0 3 269.345 -1.025 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001272389678 775903411 /nfs/dbraw/zinc/90/34/11/775903411.db2.gz QOWHYXAVXIFDDX-SECBINFHSA-N 0 3 269.305 -2.235 20 0 CAADHN CCOCCC(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001272378322 775904035 /nfs/dbraw/zinc/90/40/35/775904035.db2.gz BYHDCQIVMOJRDL-MNOVXSKESA-N 0 3 287.360 -1.242 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1CC=CC1)C(=O)NC(N)=O ZINC001272389136 775904104 /nfs/dbraw/zinc/90/41/04/775904104.db2.gz KMRCHPFNKSJQHD-WPRPVWTQSA-N 0 3 298.343 -1.397 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077512548 775905264 /nfs/dbraw/zinc/90/52/64/775905264.db2.gz IAOOIZLYCDIYHZ-GMTAPVOTSA-N 0 3 269.345 -1.060 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001272390296 775905444 /nfs/dbraw/zinc/90/54/44/775905444.db2.gz ZAJIADDIRVZMMR-JTQLQIEISA-N 0 3 266.301 -1.476 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1=CCCC1 ZINC001272396695 775905593 /nfs/dbraw/zinc/90/55/93/775905593.db2.gz BYOSELSAURSYTK-SNVBAGLBSA-N 0 3 255.318 -1.091 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cncnc1)C(N)=O ZINC001272397404 775906049 /nfs/dbraw/zinc/90/60/49/775906049.db2.gz JKUKDJFZGOVUMB-APPZFPTMSA-N 0 3 267.289 -1.969 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cncnc1 ZINC001272397685 775906180 /nfs/dbraw/zinc/90/61/80/775906180.db2.gz KQJOXSHFPCEUEK-MRVPVSSYSA-N 0 3 253.262 -2.358 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077512863 775906324 /nfs/dbraw/zinc/90/63/24/775906324.db2.gz RDHPVBPWQGCVDF-OPRDCNLKSA-N 0 3 255.318 -1.308 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@H](O)CNC/C=C\Cl ZINC001272398956 775906958 /nfs/dbraw/zinc/90/69/58/775906958.db2.gz USWJCUNVKJROCB-YWUCGTOHSA-N 0 3 278.740 -1.138 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@H](O)CNC/C=C/Cl ZINC001272398955 775907906 /nfs/dbraw/zinc/90/79/06/775907906.db2.gz USWJCUNVKJROCB-RIAPOHOLSA-N 0 3 278.740 -1.138 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@H](O)CNC/C=C\Cl ZINC001272398953 775907927 /nfs/dbraw/zinc/90/79/27/775907927.db2.gz USWJCUNVKJROCB-HZHJCBGQSA-N 0 3 278.740 -1.138 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cn(C)cn1)C(N)=O ZINC001272399783 775907953 /nfs/dbraw/zinc/90/79/53/775907953.db2.gz ZXPPXXCPFSGBTC-JGVFFNPUSA-N 0 3 269.305 -2.026 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCC(=O)NC1=O)c1cc[nH]c1 ZINC001272424974 775908899 /nfs/dbraw/zinc/90/88/99/775908899.db2.gz GBLVCBXTPRVKLW-ZJUUUORDSA-N 0 3 294.311 -1.500 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cc[nH]c1 ZINC001272426111 775909464 /nfs/dbraw/zinc/90/94/64/775909464.db2.gz RKHXZXNSXUPEOJ-JTQLQIEISA-N 0 3 268.317 -1.169 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)nn1 ZINC001272414662 775909685 /nfs/dbraw/zinc/90/96/85/775909685.db2.gz QZGOQHZFFQPDGV-QMMMGPOBSA-N 0 3 267.289 -2.049 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001077514134 775910100 /nfs/dbraw/zinc/91/01/00/775910100.db2.gz OFJMRWDGBRJWLG-OPRDCNLKSA-N 0 3 255.318 -1.306 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001077514133 775910134 /nfs/dbraw/zinc/91/01/34/775910134.db2.gz OFJMRWDGBRJWLG-IVZWLZJFSA-N 0 3 255.318 -1.306 20 0 CAADHN O=C(NC[C@H](O)C[NH2+]CCO)c1ccnc2[n-]cnc21 ZINC001272435101 775911062 /nfs/dbraw/zinc/91/10/62/775911062.db2.gz OWLUOWOQOXXNGB-MRVPVSSYSA-N 0 3 279.300 -1.370 20 0 CAADHN O=C(NC[C@@H](O)C[NH2+]CCO)c1ccnc2[n-]cnc21 ZINC001272435102 775911142 /nfs/dbraw/zinc/91/11/42/775911142.db2.gz OWLUOWOQOXXNGB-QMMMGPOBSA-N 0 3 279.300 -1.370 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C(=O)NCC(F)F)C(N)=O ZINC001272460931 775912918 /nfs/dbraw/zinc/91/29/18/775912918.db2.gz LARDGTBBWZUDFJ-NTSWFWBYSA-N 0 3 296.274 -2.692 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C(=O)NCC(F)F)C(N)=O ZINC001272460934 775914080 /nfs/dbraw/zinc/91/40/80/775914080.db2.gz LARDGTBBWZUDFJ-WDSKDSINSA-N 0 3 296.274 -2.692 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697471 775914634 /nfs/dbraw/zinc/91/46/34/775914634.db2.gz ZRONYKPHFMIRFR-MNOVXSKESA-N 0 3 284.360 -2.011 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CNCC(N)=O)CC1 ZINC001272470517 775915388 /nfs/dbraw/zinc/91/53/88/775915388.db2.gz PJKHJKUMGVBNTQ-QMMMGPOBSA-N 0 3 259.306 -2.035 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083696850 775916036 /nfs/dbraw/zinc/91/60/36/775916036.db2.gz UPFVVGVDBDKFCA-MXWKQRLJSA-N 0 3 284.360 -1.173 20 0 CAADHN CC(C)(C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)N1CCCC1 ZINC001083696047 775916200 /nfs/dbraw/zinc/91/62/00/775916200.db2.gz GREKKQQZCUHULB-MNOVXSKESA-N 0 3 298.387 -1.493 20 0 CAADHN O=C(NC[C@H](O)CNCCF)[C@@H]1Cc2cncn2C(=O)N1 ZINC001272479047 775919800 /nfs/dbraw/zinc/91/98/00/775919800.db2.gz FEJJZOLBZYBYEQ-ZJUUUORDSA-N 0 3 299.306 -1.598 20 0 CAADHN Cn1cnn(CCC(=O)NC[C@H](O)CNCCF)c1=O ZINC001272488589 775920211 /nfs/dbraw/zinc/92/02/11/775920211.db2.gz PGRHLRRSXJLVCH-SECBINFHSA-N 0 3 289.311 -1.992 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCNC1=O)N1CCC1 ZINC001272497170 775921943 /nfs/dbraw/zinc/92/19/43/775921943.db2.gz VHTBMMZXODKYPM-UWVGGRQHSA-N 0 3 298.343 -2.579 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001272496620 775922807 /nfs/dbraw/zinc/92/28/07/775922807.db2.gz QFHKPRZQGWJBDU-WDEREUQCSA-N 0 3 295.343 -1.877 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001272496618 775923013 /nfs/dbraw/zinc/92/30/13/775923013.db2.gz QFHKPRZQGWJBDU-MNOVXSKESA-N 0 3 295.343 -1.877 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCNC1=O)N1CCC1 ZINC001272497172 775923253 /nfs/dbraw/zinc/92/32/53/775923253.db2.gz VHTBMMZXODKYPM-ZJUUUORDSA-N 0 3 298.343 -2.579 20 0 CAADHN Cn1nnc2c1C[C@H](C(=O)NC[C@@H](O)CNCCF)CC2 ZINC001272503265 775923659 /nfs/dbraw/zinc/92/36/59/775923659.db2.gz BFMQKKOKBKRRNT-ZJUUUORDSA-N 0 3 299.350 -1.044 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001083706629 775924097 /nfs/dbraw/zinc/92/40/97/775924097.db2.gz GUQQHYKJXNQAEU-BDAKNGLRSA-N 0 3 268.321 -1.359 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)C(N)=O ZINC001272505252 775924341 /nfs/dbraw/zinc/92/43/41/775924341.db2.gz UXBONTMPLBJJJV-MRVPVSSYSA-N 0 3 255.278 -2.528 20 0 CAADHN Cn1nnc2c1C[C@H](C(=O)NC[C@H](O)CNCCF)CC2 ZINC001272503251 775924775 /nfs/dbraw/zinc/92/47/75/775924775.db2.gz BFMQKKOKBKRRNT-NXEZZACHSA-N 0 3 299.350 -1.044 20 0 CAADHN NC(=O)C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001272512564 775926070 /nfs/dbraw/zinc/92/60/70/775926070.db2.gz LCFAFNGRHDYEPN-RQJHMYQMSA-N 0 3 258.278 -3.183 20 0 CAADHN NC(=O)C1(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)CC1 ZINC001272511744 775926580 /nfs/dbraw/zinc/92/65/80/775926580.db2.gz GBJYJDKMWQBGES-SECBINFHSA-N 0 3 298.343 -2.449 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001127263167 775927083 /nfs/dbraw/zinc/92/70/83/775927083.db2.gz STKHTONQQGAQOP-MRVPVSSYSA-N 0 3 294.315 -2.046 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001127263169 775927103 /nfs/dbraw/zinc/92/71/03/775927103.db2.gz STKHTONQQGAQOP-QMMMGPOBSA-N 0 3 294.315 -2.046 20 0 CAADHN C[C@H](NC(=O)CNC[C@H](O)CNC(=O)C(N)=O)C1CC1 ZINC001272514829 775927776 /nfs/dbraw/zinc/92/77/76/775927776.db2.gz XZJDZJWMTGTBGL-CBAPKCEASA-N 0 3 286.332 -2.547 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1n[nH]cc1F ZINC001272514741 775928577 /nfs/dbraw/zinc/92/85/77/775928577.db2.gz XJQUZCOOYDYBSQ-RXMQYKEDSA-N 0 3 259.241 -2.286 20 0 CAADHN C[C@@H](NC(=O)CNC[C@H](O)CNC(=O)C(N)=O)C1CC1 ZINC001272514819 775928751 /nfs/dbraw/zinc/92/87/51/775928751.db2.gz XZJDZJWMTGTBGL-APPZFPTMSA-N 0 3 286.332 -2.547 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)[C@@H]1CCCS1(=O)=O ZINC001272585936 775948545 /nfs/dbraw/zinc/94/85/45/775948545.db2.gz YPWVNUKPYBTGSW-IUCAKERBSA-N 0 3 282.337 -1.400 20 0 CAADHN CN(C)CCN1C(=O)COCC12CN(CC(=O)N(C)C)C2 ZINC001272534727 775929473 /nfs/dbraw/zinc/92/94/73/775929473.db2.gz NDMLAPAURPFVHJ-UHFFFAOYSA-N 0 3 298.387 -1.451 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001272536477 775929646 /nfs/dbraw/zinc/92/96/46/775929646.db2.gz FGVJSVJLWDCHCL-SECBINFHSA-N 0 3 269.305 -2.106 20 0 CAADHN COCCC(=O)NCCNCCNS(C)(=O)=O ZINC001122409671 775948569 /nfs/dbraw/zinc/94/85/69/775948569.db2.gz PZCJVMUDCSHXED-UHFFFAOYSA-N 0 3 267.351 -1.722 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001272536478 775930031 /nfs/dbraw/zinc/93/00/31/775930031.db2.gz FGVJSVJLWDCHCL-VIFPVBQESA-N 0 3 269.305 -2.106 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1nccs1 ZINC001272554699 775931400 /nfs/dbraw/zinc/93/14/00/775931400.db2.gz WBAMVCDUYONCCG-LURJTMIESA-N 0 3 258.303 -1.691 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001272552039 775932091 /nfs/dbraw/zinc/93/20/91/775932091.db2.gz AJGAIULZCSXJBI-ZETCQYMHSA-N 0 3 255.278 -2.496 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)CC1 ZINC001272544453 775932466 /nfs/dbraw/zinc/93/24/66/775932466.db2.gz FRWOZVDTPYHAOO-SFYZADRCSA-N 0 3 286.332 -2.547 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)CC1 ZINC001272544451 775932722 /nfs/dbraw/zinc/93/27/22/775932722.db2.gz FRWOZVDTPYHAOO-JGVFFNPUSA-N 0 3 286.332 -2.547 20 0 CAADHN C[C@]1(C(=O)NC[C@H](O)CNCC(N)=O)CCOC1 ZINC001272553372 775933614 /nfs/dbraw/zinc/93/36/14/775933614.db2.gz PEYULJCKYUJGHE-KCJUWKMLSA-N 0 3 259.306 -2.035 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnc(N(C)C)cn1 ZINC001127279192 775936610 /nfs/dbraw/zinc/93/66/10/775936610.db2.gz KXQUECUSVDJVKS-UHFFFAOYSA-N 0 3 280.332 -1.392 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001077526661 775938355 /nfs/dbraw/zinc/93/83/55/775938355.db2.gz UUYWDTSVFLDSMA-IVZWLZJFSA-N 0 3 296.331 -1.979 20 0 CAADHN CS(=O)(=O)[C@H]1C[C@H](NC[C@H](O)CN2CCOCC2)C1 ZINC000714243474 775939827 /nfs/dbraw/zinc/93/98/27/775939827.db2.gz IQOHIQVYCNKSPP-SRVKXCTJSA-N 0 3 292.401 -1.155 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001123815535 775983255 /nfs/dbraw/zinc/98/32/55/775983255.db2.gz XOJGHWOUBNOYGL-SECBINFHSA-N 0 3 272.349 -1.353 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1c[nH]cc1C ZINC001272575623 775941674 /nfs/dbraw/zinc/94/16/74/775941674.db2.gz PWRVMJDZZXPFQC-VIFPVBQESA-N 0 3 268.317 -1.251 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](C)SC ZINC001123943050 775987855 /nfs/dbraw/zinc/98/78/55/775987855.db2.gz LBWBBGFGIFQJOQ-ZETCQYMHSA-N 0 3 276.362 -1.101 20 0 CAADHN C[C@@H](O)CN1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046547020 775944658 /nfs/dbraw/zinc/94/46/58/775944658.db2.gz IMBJNQPREZBZKX-LDYMZIIASA-N 0 3 268.321 -1.215 20 0 CAADHN COCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001122337713 775945630 /nfs/dbraw/zinc/94/56/30/775945630.db2.gz RQHJUUGPOXFQDM-VIFPVBQESA-N 0 3 288.348 -1.039 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCOC ZINC001122387506 775947296 /nfs/dbraw/zinc/94/72/96/775947296.db2.gz DBZWNQFRCPMNHY-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CC(=O)NCCNCC(=O)N1CCN(C(C)=O)CC1 ZINC001122367099 775947324 /nfs/dbraw/zinc/94/73/24/775947324.db2.gz IBILEJYLQIBCJW-UHFFFAOYSA-N 0 3 270.333 -1.597 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccnn1CC(F)F ZINC001127299209 775947693 /nfs/dbraw/zinc/94/76/93/775947693.db2.gz MTJDKRDHSPDNPL-UHFFFAOYSA-N 0 3 275.259 -1.047 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C(F)F ZINC001122423512 775947740 /nfs/dbraw/zinc/94/77/40/775947740.db2.gz FJPQDJMAFMXNSV-YFKPBYRVSA-N 0 3 266.248 -1.199 20 0 CAADHN CC(=O)NCCNCC(=O)N1CCC[C@@H](NC(C)=O)C1 ZINC001122379316 775947971 /nfs/dbraw/zinc/94/79/71/775947971.db2.gz HPZXZFIYKZEXBY-GFCCVEGCSA-N 0 3 284.360 -1.161 20 0 CAADHN O=C(NC[C@H](O)CNCCF)[C@H]1CCCS1(=O)=O ZINC001272585937 775948059 /nfs/dbraw/zinc/94/80/59/775948059.db2.gz YPWVNUKPYBTGSW-RKDXNWHRSA-N 0 3 282.337 -1.400 20 0 CAADHN COCCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001122416757 775948156 /nfs/dbraw/zinc/94/81/56/775948156.db2.gz KATPCIVRFHIQKJ-NSHDSACASA-N 0 3 287.360 -1.119 20 0 CAADHN CN(CCNCCNC(=O)C(F)F)S(C)(=O)=O ZINC001122399469 775948636 /nfs/dbraw/zinc/94/86/36/775948636.db2.gz GJIXNOFJSBFQIT-UHFFFAOYSA-N 0 3 273.305 -1.151 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1ccc[nH]1)C(N)=O ZINC001272585562 775948736 /nfs/dbraw/zinc/94/87/36/775948736.db2.gz WQJRWWPIIIJZEG-WCBMZHEXSA-N 0 3 268.317 -1.502 20 0 CAADHN O=C(CNCCNC(=O)C1CCOCC1)N1CCOCC1 ZINC001122497100 775950083 /nfs/dbraw/zinc/95/00/83/775950083.db2.gz JEYALSVKUAZFBP-UHFFFAOYSA-N 0 3 299.371 -1.022 20 0 CAADHN C[C@@]1(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN(CCO)C1 ZINC001046663220 775953269 /nfs/dbraw/zinc/95/32/69/775953269.db2.gz XIXVFLUGUMPWLP-QPUJVOFHSA-N 0 3 284.316 -1.843 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(N)=O ZINC001106369934 775955341 /nfs/dbraw/zinc/95/53/41/775955341.db2.gz CKEBDDDZGOXILA-HTQZYQBOSA-N 0 3 266.305 -1.412 20 0 CAADHN C[C@]1(NC(=O)C2CC(=O)NC(=O)C2)CCN(CCO)C1 ZINC001046695522 775956605 /nfs/dbraw/zinc/95/66/05/775956605.db2.gz NMXXLAFJBIYYGJ-ZDUSSCGKSA-N 0 3 283.328 -1.388 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C ZINC001122965961 775956967 /nfs/dbraw/zinc/95/69/67/775956967.db2.gz MWAIMYSUVXYVQF-SFYZADRCSA-N 0 3 256.306 -1.196 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001122940774 775957219 /nfs/dbraw/zinc/95/72/19/775957219.db2.gz YCXORFQEAMMNLB-ONGXEEELSA-N 0 3 294.355 -1.054 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]1C ZINC001122965958 775957811 /nfs/dbraw/zinc/95/78/11/775957811.db2.gz MWAIMYSUVXYVQF-JGVFFNPUSA-N 0 3 256.306 -1.196 20 0 CAADHN Cc1nn(C)c(C)c1OCC(=O)NCCN[C@@H](C)C(N)=O ZINC001127362230 775958751 /nfs/dbraw/zinc/95/87/51/775958751.db2.gz DFVRRRWWTNOZOU-VIFPVBQESA-N 0 3 297.359 -1.005 20 0 CAADHN Cc1nn(C)c(C)c1OCC(=O)NCCN[C@H](C)C(N)=O ZINC001127362229 775958933 /nfs/dbraw/zinc/95/89/33/775958933.db2.gz DFVRRRWWTNOZOU-SECBINFHSA-N 0 3 297.359 -1.005 20 0 CAADHN O=C(CNCCNC(=O)C1=COCCO1)N1CCC1 ZINC001123020140 775959096 /nfs/dbraw/zinc/95/90/96/775959096.db2.gz ZDOWCVNUBHEPHP-UHFFFAOYSA-N 0 3 269.301 -1.187 20 0 CAADHN CCOCC(=O)NCCNCCNS(=O)(=O)CC ZINC001122977720 775959593 /nfs/dbraw/zinc/95/95/93/775959593.db2.gz FNWLFIQYGPEPMU-UHFFFAOYSA-N 0 3 281.378 -1.332 20 0 CAADHN C[C@H](NCCNC(=O)CN1C(=O)CC(C)(C)C1=O)C(N)=O ZINC001127374241 775961021 /nfs/dbraw/zinc/96/10/21/775961021.db2.gz MAHNZZXXLUTENF-QMMMGPOBSA-N 0 3 298.343 -1.649 20 0 CAADHN C[C@@H](NCCNC(=O)CN1C(=O)CC(C)(C)C1=O)C(N)=O ZINC001127374240 775961632 /nfs/dbraw/zinc/96/16/32/775961632.db2.gz MAHNZZXXLUTENF-MRVPVSSYSA-N 0 3 298.343 -1.649 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001123070917 775961865 /nfs/dbraw/zinc/96/18/65/775961865.db2.gz ABCSHQRARKKMGJ-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(N)=O)C(=O)NC(N)=O ZINC001123263390 775964786 /nfs/dbraw/zinc/96/47/86/775964786.db2.gz KMTOIMWJSXUEPM-RXMQYKEDSA-N 0 3 274.281 -3.056 20 0 CAADHN O=C(CNCCNC(=O)Cn1cnnn1)NCC1CCC1 ZINC001123305078 775964830 /nfs/dbraw/zinc/96/48/30/775964830.db2.gz NCSLGTYHLRDIDA-UHFFFAOYSA-N 0 3 295.347 -1.705 20 0 CAADHN COc1ccc(CNCCNC(=O)CNC(N)=O)cn1 ZINC001123258020 775964849 /nfs/dbraw/zinc/96/48/49/775964849.db2.gz LQLCJVKVCYXNCH-UHFFFAOYSA-N 0 3 281.316 -1.036 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)CNC(N)=O)C1CC1 ZINC001123258390 775964965 /nfs/dbraw/zinc/96/49/65/775964965.db2.gz OZDRKTKGGQMSTF-MRVPVSSYSA-N 0 3 285.348 -1.725 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)CNC(N)=O)C1CC1 ZINC001123258395 775965076 /nfs/dbraw/zinc/96/50/76/775965076.db2.gz OZDRKTKGGQMSTF-QMMMGPOBSA-N 0 3 285.348 -1.725 20 0 CAADHN C[C@@H]1COC[C@H]1NC(=O)C(=O)N1CCCNCC1 ZINC000699833622 775966505 /nfs/dbraw/zinc/96/65/05/775966505.db2.gz FTWXBTZAXZAMFH-NXEZZACHSA-N 0 3 255.318 -1.041 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCNC2=O)cn1 ZINC001123353857 775966833 /nfs/dbraw/zinc/96/68/33/775966833.db2.gz SGGDRXSYGVWKJI-VIFPVBQESA-N 0 3 251.290 -1.372 20 0 CAADHN O=C(CN1CCCC1=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001123341945 775966896 /nfs/dbraw/zinc/96/68/96/775966896.db2.gz UPIJAMAWZAKNJD-VIFPVBQESA-N 0 3 296.327 -1.880 20 0 CAADHN CC(C)CCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740936 775967080 /nfs/dbraw/zinc/96/70/80/775967080.db2.gz UIOHXYHCDYLCOT-MXWKQRLJSA-N 0 3 284.360 -1.125 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740778 775967207 /nfs/dbraw/zinc/96/72/07/775967207.db2.gz OQFVIVHVKXCGSQ-BBBLOLIVSA-N 0 3 270.333 -1.515 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)c1 ZINC001123360328 775967329 /nfs/dbraw/zinc/96/73/29/775967329.db2.gz YEOWLJHYWAGSIX-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)N2CCC2)cn1 ZINC001123347757 775968203 /nfs/dbraw/zinc/96/82/03/775968203.db2.gz FYUWZWXZWUAZSY-UHFFFAOYSA-N 0 3 265.317 -1.028 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083741409 775969975 /nfs/dbraw/zinc/96/99/75/775969975.db2.gz HMCFAHCCLNOXLB-BBBLOLIVSA-N 0 3 268.317 -1.761 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(CC2CCCC2)C[C@@H]1O ZINC001083744252 775970881 /nfs/dbraw/zinc/97/08/81/775970881.db2.gz FHAZLOXYRGIUSF-ZJUUUORDSA-N 0 3 255.318 -1.177 20 0 CAADHN C[C@H]1CN2CCN1C[C@@H]2C(=O)NCc1cn[nH]n1 ZINC001123732004 775977907 /nfs/dbraw/zinc/97/79/07/775977907.db2.gz ODIRFMILVDSHNH-WCBMZHEXSA-N 0 3 250.306 -1.191 20 0 CAADHN Cn1nccc1CNCCNC(=O)Cn1ncnn1 ZINC001127433110 775978981 /nfs/dbraw/zinc/97/89/81/775978981.db2.gz FJKJXMKWGZIGBU-UHFFFAOYSA-N 0 3 264.293 -1.687 20 0 CAADHN CC(C)[C@@H](C)NC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433022 775979004 /nfs/dbraw/zinc/97/90/04/775979004.db2.gz BMAOLJCRNUTZBW-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN Cn1cc(CNCCNC(=O)Cn2ncnn2)cn1 ZINC001127433317 775979084 /nfs/dbraw/zinc/97/90/84/775979084.db2.gz LCNNLRVUNVVUQL-UHFFFAOYSA-N 0 3 264.293 -1.687 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433223 775979146 /nfs/dbraw/zinc/97/91/46/775979146.db2.gz ITLAWCNVYBZDPW-UHFFFAOYSA-N 0 3 283.336 -1.753 20 0 CAADHN O=C(Cn1ncnn1)NCCNCC(=O)N1CCOCC1 ZINC001127433309 775979267 /nfs/dbraw/zinc/97/92/67/775979267.db2.gz KSBZVUQAPKOLIJ-UHFFFAOYSA-N 0 3 297.319 -2.762 20 0 CAADHN CC(C)[C@H](C)NC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433019 775979545 /nfs/dbraw/zinc/97/95/45/775979545.db2.gz BMAOLJCRNUTZBW-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN O=C(Cn1ncnn1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001127437449 775980459 /nfs/dbraw/zinc/98/04/59/775980459.db2.gz BRRGXHACKJABDE-SSDOTTSWSA-N 0 3 281.276 -2.816 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)Cn2ncnn2)C1=O ZINC001127437439 775981278 /nfs/dbraw/zinc/98/12/78/775981278.db2.gz BGPZCUPGDVCJBY-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127442398 775982519 /nfs/dbraw/zinc/98/25/19/775982519.db2.gz DBBKVEHBLKOXLX-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN O=C(Cn1ncnn1)NCCN[C@H]1CCCNC1=O ZINC001127438938 775982617 /nfs/dbraw/zinc/98/26/17/775982617.db2.gz XKMDHQGSZFGHPK-QMMMGPOBSA-N 0 3 267.293 -2.343 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1ncnn1)C(N)=O ZINC001127442902 775983082 /nfs/dbraw/zinc/98/30/82/775983082.db2.gz MFXXLPTXTAQHSD-ZETCQYMHSA-N 0 3 255.282 -2.357 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@H]1CCCNC1=O ZINC001123815439 775983212 /nfs/dbraw/zinc/98/32/12/775983212.db2.gz UUEIJBCSODJWOP-JTQLQIEISA-N 0 3 270.333 -1.551 20 0 CAADHN CCN(C(=O)CNCCNC(=O)Cn1ncnn1)C1CC1 ZINC001127443596 775983815 /nfs/dbraw/zinc/98/38/15/775983815.db2.gz YCBGGUWSSXEREP-UHFFFAOYSA-N 0 3 295.347 -1.610 20 0 CAADHN CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449498 775984014 /nfs/dbraw/zinc/98/40/14/775984014.db2.gz JYQJETORDCTABG-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](NCCNC(=O)Cn1ncnn1)C(=O)N(C)C ZINC001127443348 775984159 /nfs/dbraw/zinc/98/41/59/775984159.db2.gz RUKPWDFVGNXFET-QMMMGPOBSA-N 0 3 269.309 -2.144 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1ncnn1)C(=O)NC1CC1 ZINC001127449490 775984318 /nfs/dbraw/zinc/98/43/18/775984318.db2.gz JTWAYXXPOWEATH-MRVPVSSYSA-N 0 3 281.320 -1.954 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449695 775984643 /nfs/dbraw/zinc/98/46/43/775984643.db2.gz PRYVTNCCFZPNAA-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN CCN(CC)C(=O)[C@@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449640 775984738 /nfs/dbraw/zinc/98/47/38/775984738.db2.gz OMENGLWQTTYIFC-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CCCCNC(=O)[C@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449888 775984798 /nfs/dbraw/zinc/98/47/98/775984798.db2.gz WVBCVBPKHLUJMV-JTQLQIEISA-N 0 3 297.363 -1.316 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)Cn2ncnn2)C1=O ZINC001127443219 775984814 /nfs/dbraw/zinc/98/48/14/775984814.db2.gz QXRLJJWYMVGIHC-SNVBAGLBSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)Cn1ncnn1)C1CC1 ZINC001127442837 775984852 /nfs/dbraw/zinc/98/48/52/775984852.db2.gz KCTRJOLGDFTYKH-SECBINFHSA-N 0 3 295.347 -1.706 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cc(OC)ncn1 ZINC001127464029 775985512 /nfs/dbraw/zinc/98/55/12/775985512.db2.gz JGNIBFRNZMXZOB-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN CC1(C)C[C@H](NC(=O)C(N)=O)CCN([C@H]2CCNC2=O)C1 ZINC001089477700 775985703 /nfs/dbraw/zinc/98/57/03/775985703.db2.gz ZJGLMUHNTYSYOP-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cc(OC)ncn1 ZINC001127458282 775985880 /nfs/dbraw/zinc/98/58/80/775985880.db2.gz BFNIYJMSZQOLTI-UHFFFAOYSA-N 0 3 281.316 -1.059 20 0 CAADHN COc1cc(C(=O)NCCNCC(=O)N(C)C)ncn1 ZINC001127459278 775985966 /nfs/dbraw/zinc/98/59/66/775985966.db2.gz ZBSBVVHLXKBWAW-UHFFFAOYSA-N 0 3 281.316 -1.107 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@H](NC(=O)C(N)=O)CC(C)(C)C1 ZINC001089479145 775985993 /nfs/dbraw/zinc/98/59/93/775985993.db2.gz CWEFZNWNFBYDDT-RKDXNWHRSA-N 0 3 284.360 -1.048 20 0 CAADHN CC1(C)C[C@@H](NC(=O)C(N)=O)CCN([C@H]2CCNC2=O)C1 ZINC001089477696 775986160 /nfs/dbraw/zinc/98/61/60/775986160.db2.gz ZJGLMUHNTYSYOP-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cc(OC)ncn1 ZINC001127464027 775986408 /nfs/dbraw/zinc/98/64/08/775986408.db2.gz JGNIBFRNZMXZOB-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1COCCO1 ZINC001123870521 775986696 /nfs/dbraw/zinc/98/66/96/775986696.db2.gz WALFLMYEJMQIMX-JTQLQIEISA-N 0 3 273.333 -1.368 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1ccn[nH]1 ZINC001123897715 775988544 /nfs/dbraw/zinc/98/85/44/775988544.db2.gz LVWKWILOERMCQD-UHFFFAOYSA-N 0 3 283.332 -1.118 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001127554266 775989172 /nfs/dbraw/zinc/98/91/72/775989172.db2.gz OMTVROHANZKMLF-OPRDCNLKSA-N 0 3 282.344 -1.505 20 0 CAADHN CCO[C@@H](C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123968596 775989666 /nfs/dbraw/zinc/98/96/66/775989666.db2.gz PUBGUMQSRYSDMZ-DTWKUNHWSA-N 0 3 271.317 -1.078 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCCO1)C(=O)NC(N)=O ZINC001124017394 775989837 /nfs/dbraw/zinc/98/98/37/775989837.db2.gz BYZVPXKBGGEMBO-IUCAKERBSA-N 0 3 286.332 -1.155 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)OCC ZINC001123962107 775990359 /nfs/dbraw/zinc/99/03/59/775990359.db2.gz CJWUMFHAUQWLLA-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)OCC ZINC001123962106 775991077 /nfs/dbraw/zinc/99/10/77/775991077.db2.gz CJWUMFHAUQWLLA-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001127558228 775992250 /nfs/dbraw/zinc/99/22/50/775992250.db2.gz HNGOGVCJEAGUEF-KXUCPTDWSA-N 0 3 284.360 -1.259 20 0 CAADHN C[C@H](C(=O)NCCNCC(N)=O)c1ccnn1C ZINC001127582718 775995404 /nfs/dbraw/zinc/99/54/04/775995404.db2.gz JLJYOGJTCVFZLD-QMMMGPOBSA-N 0 3 253.306 -1.285 20 0 CAADHN CN(CCS(C)(=O)=O)C(=O)C[C@H]1CNCCO1 ZINC000094301581 775996535 /nfs/dbraw/zinc/99/65/35/775996535.db2.gz HZPCCFRGWQEMOI-VIFPVBQESA-N 0 3 264.347 -1.132 20 0 CAADHN CS(=O)(=O)N1CCC(N2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000701612218 775997368 /nfs/dbraw/zinc/99/73/68/775997368.db2.gz CNGBLTNBKVECKI-GXSJLCMTSA-N 0 3 278.374 -1.305 20 0 CAADHN CO[C@H](C)C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001124293861 775998504 /nfs/dbraw/zinc/99/85/04/775998504.db2.gz XXXHSFFEWSXHKS-MNOVXSKESA-N 0 3 287.360 -1.120 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1cnc(C(N)=O)n1)C(N)=O ZINC001127653134 775999233 /nfs/dbraw/zinc/99/92/33/775999233.db2.gz NEKPDJNPQSWRST-ZETCQYMHSA-N 0 3 297.319 -2.653 20 0 CAADHN CCCC(=O)NCC(=O)NCCNCC(=O)N1CCC1 ZINC001124351210 775999727 /nfs/dbraw/zinc/99/97/27/775999727.db2.gz UZACYZQYIFXQPG-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN CNC(=O)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089852802 775999495 /nfs/dbraw/zinc/99/94/95/775999495.db2.gz KNCYMKUQBNCOKC-MMWGEVLESA-N 0 3 294.355 -1.614 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001089852803 775999967 /nfs/dbraw/zinc/99/99/67/775999967.db2.gz KNCYMKUQBNCOKC-NAKRPEOUSA-N 0 3 294.355 -1.614 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089852805 776000156 /nfs/dbraw/zinc/00/01/56/776000156.db2.gz KNCYMKUQBNCOKC-ZDCRXTMVSA-N 0 3 294.355 -1.614 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653274 776000304 /nfs/dbraw/zinc/00/03/04/776000304.db2.gz PZNGQXDUKGTXJT-ZETCQYMHSA-N 0 3 297.319 -2.783 20 0 CAADHN Cc1ocnc1C(=O)NCCNCC(=O)NC(N)=O ZINC001124366220 776000453 /nfs/dbraw/zinc/00/04/53/776000453.db2.gz GWHBIUJPZAFCHH-UHFFFAOYSA-N 0 3 269.261 -1.503 20 0 CAADHN CC[C@@H](F)CNCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653588 776000620 /nfs/dbraw/zinc/00/06/20/776000620.db2.gz ZCOWMFOXHUDNCA-MRVPVSSYSA-N 0 3 286.311 -1.169 20 0 CAADHN NC(=O)c1ncn(CC(=O)NCCNC/C=C\Cl)n1 ZINC001127690485 776002266 /nfs/dbraw/zinc/00/22/66/776002266.db2.gz KTHAXCQKVXTVKZ-UPHRSURJSA-N 0 3 286.723 -1.165 20 0 CAADHN CCO[C@H](CC)C(=O)NCCNCC(=O)NC(=O)NC ZINC001124393060 776002472 /nfs/dbraw/zinc/00/24/72/776002472.db2.gz VAQOVMTYSQAROL-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1ccnn1C ZINC001124538687 776003530 /nfs/dbraw/zinc/00/35/30/776003530.db2.gz DXUOCOXIDADYNS-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN Cn1nccc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124544286 776003555 /nfs/dbraw/zinc/00/35/55/776003555.db2.gz CMLGTTJMYOUQMS-QMMMGPOBSA-N 0 3 279.300 -1.455 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)[C@H]1CCOC1 ZINC001124509862 776003633 /nfs/dbraw/zinc/00/36/33/776003633.db2.gz UJILYBDIUKVSDC-JTQLQIEISA-N 0 3 293.389 -1.332 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCOC1 ZINC001124501233 776004189 /nfs/dbraw/zinc/00/41/89/776004189.db2.gz IYWRTRWNYAGTPG-VIFPVBQESA-N 0 3 286.332 -1.426 20 0 CAADHN Cn1nccc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124544285 776004200 /nfs/dbraw/zinc/00/42/00/776004200.db2.gz CMLGTTJMYOUQMS-MRVPVSSYSA-N 0 3 279.300 -1.455 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCOC1 ZINC001124501122 776004219 /nfs/dbraw/zinc/00/42/19/776004219.db2.gz HOZBIOLERCHKAM-ZETCQYMHSA-N 0 3 258.278 -2.076 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccnn1C ZINC001124544232 776004242 /nfs/dbraw/zinc/00/42/42/776004242.db2.gz AKHSBWLSOOVFPY-UHFFFAOYSA-N 0 3 253.306 -1.124 20 0 CAADHN C[C@H]1CN(C(=O)CNCCNC(=O)[C@H]2CCOC2)CCO1 ZINC001124507967 776004698 /nfs/dbraw/zinc/00/46/98/776004698.db2.gz ALODQCIWHUVZGK-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCOC1 ZINC001124509863 776005233 /nfs/dbraw/zinc/00/52/33/776005233.db2.gz UJILYBDIUKVSDC-SNVBAGLBSA-N 0 3 293.389 -1.332 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2ccnn2C)C1=O ZINC001124550582 776005828 /nfs/dbraw/zinc/00/58/28/776005828.db2.gz KUORDGHCHLAHKD-SECBINFHSA-N 0 3 265.317 -1.030 20 0 CAADHN CC[C@@H](OC)C(=O)NCCNCC(=O)NC(N)=O ZINC001124556080 776005867 /nfs/dbraw/zinc/00/58/67/776005867.db2.gz IAMMDGZZKKIXBT-SSDOTTSWSA-N 0 3 260.294 -1.688 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1ccnn1C ZINC001124544738 776006250 /nfs/dbraw/zinc/00/62/50/776006250.db2.gz PJRSZGJJTVKJJJ-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccnn1C ZINC001124551003 776006269 /nfs/dbraw/zinc/00/62/69/776006269.db2.gz SRIDOAJTNJDGNX-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN CO[C@@H](C)CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124595187 776006319 /nfs/dbraw/zinc/00/63/19/776006319.db2.gz VWMCSUJKOGBKHN-IUCAKERBSA-N 0 3 271.317 -1.078 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@H](C)OC ZINC001124608670 776006457 /nfs/dbraw/zinc/00/64/57/776006457.db2.gz ZQBSESXDYHXEDB-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)C[C@H](C)OC ZINC001124595080 776006647 /nfs/dbraw/zinc/00/66/47/776006647.db2.gz UAYQAOSHVQYDEH-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@@H](C)OC ZINC001124608668 776006701 /nfs/dbraw/zinc/00/67/01/776006701.db2.gz ZQBSESXDYHXEDB-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](CC)OC ZINC001124568213 776006713 /nfs/dbraw/zinc/00/67/13/776006713.db2.gz SXNRAWLDYKEOOU-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001124662147 776008541 /nfs/dbraw/zinc/00/85/41/776008541.db2.gz JTKVMKBKQIJRPD-NXEZZACHSA-N 0 3 283.328 -1.220 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1CCCOC1 ZINC001124691007 776009833 /nfs/dbraw/zinc/00/98/33/776009833.db2.gz LVYZOUPRWCNGKZ-ZJUUUORDSA-N 0 3 283.328 -1.076 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCCOC1)N1CCOCC1 ZINC001124686011 776009966 /nfs/dbraw/zinc/00/99/66/776009966.db2.gz JOFHZMYQCOQQDG-LBPRGKRZSA-N 0 3 299.371 -1.022 20 0 CAADHN CCOCCC(=O)NCCNCC(=O)NC(=O)NC ZINC001124696924 776010041 /nfs/dbraw/zinc/01/00/41/776010041.db2.gz VBVAGGLBNYAKTK-UHFFFAOYSA-N 0 3 274.321 -1.426 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCOC1 ZINC001124686044 776010175 /nfs/dbraw/zinc/01/01/75/776010175.db2.gz JYZKWYRVEOFBKN-QMMMGPOBSA-N 0 3 272.305 -1.686 20 0 CAADHN CN(C(=O)c1nnn(C)n1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047488058 776011284 /nfs/dbraw/zinc/01/12/84/776011284.db2.gz ACTBJRJEAVZZIJ-UWVGGRQHSA-N 0 3 280.332 -1.263 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@H](C)C(=O)NC ZINC001124732224 776011544 /nfs/dbraw/zinc/01/15/44/776011544.db2.gz HNGPYIGJOOFNGT-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@@H](CC)C(N)=O ZINC001124732415 776011819 /nfs/dbraw/zinc/01/18/19/776011819.db2.gz LKGJXYQZZOTZLQ-VIFPVBQESA-N 0 3 272.349 -1.128 20 0 CAADHN COC[C@@H](C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124753921 776011997 /nfs/dbraw/zinc/01/19/97/776011997.db2.gz MEVUGIFSVNWMRD-RKDXNWHRSA-N 0 3 271.317 -1.220 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@H](CC)C(N)=O ZINC001124732414 776012012 /nfs/dbraw/zinc/01/20/12/776012012.db2.gz LKGJXYQZZOTZLQ-SECBINFHSA-N 0 3 272.349 -1.128 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CN(C)CCO1)C(N)=O ZINC001125203332 776027989 /nfs/dbraw/zinc/02/79/89/776027989.db2.gz LNVBMTDEYWZUDP-IUCAKERBSA-N 0 3 258.322 -2.103 20 0 CAADHN CCOCCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001124723499 776012124 /nfs/dbraw/zinc/01/21/24/776012124.db2.gz UZZXIQQGMHMCEX-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)[C@@H](C)COC ZINC001124760796 776012271 /nfs/dbraw/zinc/01/22/71/776012271.db2.gz QEARLWVPOGZMON-JTQLQIEISA-N 0 3 295.405 -1.086 20 0 CAADHN COC[C@H](C)C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001124753484 776012305 /nfs/dbraw/zinc/01/23/05/776012305.db2.gz JLJAIIMUJPMCCN-JTQLQIEISA-N 0 3 295.405 -1.134 20 0 CAADHN COC[C@@H](C)C(=O)NCCNCC(=O)N1CCOCC1 ZINC001124754434 776012542 /nfs/dbraw/zinc/01/25/42/776012542.db2.gz RKPXNBXJGRLGNZ-LLVKDONJSA-N 0 3 287.360 -1.167 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001124819493 776013182 /nfs/dbraw/zinc/01/31/82/776013182.db2.gz VSHDBARDZJXJNW-BDAKNGLRSA-N 0 3 268.317 -1.799 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCC(=O)N1)NCC1CC1 ZINC001124805484 776013404 /nfs/dbraw/zinc/01/34/04/776013404.db2.gz YDNPKVIOIBRGPF-SNVBAGLBSA-N 0 3 282.344 -1.503 20 0 CAADHN Cc1ncc(C(=O)NCCNCc2nc(=O)n(C)[nH]2)[nH]1 ZINC001124819533 776013686 /nfs/dbraw/zinc/01/36/86/776013686.db2.gz XJYJCZUWNBFTIV-UHFFFAOYSA-N 0 3 279.304 -1.340 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cnc(C)[nH]1 ZINC001124826090 776013924 /nfs/dbraw/zinc/01/39/24/776013924.db2.gz XZBNOCLPPVIDMB-UHFFFAOYSA-N 0 3 296.331 -1.117 20 0 CAADHN CN1CCC[C@H]1C(=O)NCCNCc1nnnn1C ZINC001124837834 776014170 /nfs/dbraw/zinc/01/41/70/776014170.db2.gz PJISECDAIIYMML-VIFPVBQESA-N 0 3 267.337 -1.490 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC(=O)N1)C(=O)N(C)C ZINC001124815093 776014200 /nfs/dbraw/zinc/01/42/00/776014200.db2.gz XGTGLMPJXHASLY-RKDXNWHRSA-N 0 3 270.333 -1.553 20 0 CAADHN CN1CCC[C@@H]1C(=O)NCCNCc1nnnn1C ZINC001124837660 776014315 /nfs/dbraw/zinc/01/43/15/776014315.db2.gz PJISECDAIIYMML-SECBINFHSA-N 0 3 267.337 -1.490 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124815113 776014624 /nfs/dbraw/zinc/01/46/24/776014624.db2.gz YJMLPFWVOSQJOB-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001124819496 776014670 /nfs/dbraw/zinc/01/46/70/776014670.db2.gz VSHDBARDZJXJNW-RKDXNWHRSA-N 0 3 268.317 -1.799 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124882558 776015254 /nfs/dbraw/zinc/01/52/54/776015254.db2.gz BEGFWYMZDVXPCH-SSDOTTSWSA-N 0 3 287.320 -2.198 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001124883107 776015628 /nfs/dbraw/zinc/01/56/28/776015628.db2.gz MXMRYJMOYYNLQY-VIFPVBQESA-N 0 3 284.360 -1.115 20 0 CAADHN CCC(=O)NCC(=O)NCCNCC(=O)NCC(C)C ZINC001124861227 776016338 /nfs/dbraw/zinc/01/63/38/776016338.db2.gz HCMSHFIICWTLHR-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@H]1CCNC1=O ZINC001124872759 776016483 /nfs/dbraw/zinc/01/64/83/776016483.db2.gz MLWAZGVVRXVOMJ-QMMMGPOBSA-N 0 3 256.306 -1.893 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124882559 776016571 /nfs/dbraw/zinc/01/65/71/776016571.db2.gz BEGFWYMZDVXPCH-ZETCQYMHSA-N 0 3 287.320 -2.198 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C(=O)C(C)(C)C ZINC001124976885 776018707 /nfs/dbraw/zinc/01/87/07/776018707.db2.gz LTJNFPPMYCBZFW-UHFFFAOYSA-N 0 3 286.332 -1.237 20 0 CAADHN C[C@@H](NCCNC(=O)C(=O)C(C)(C)C)C(=O)NC(N)=O ZINC001124972335 776018733 /nfs/dbraw/zinc/01/87/33/776018733.db2.gz RCIFQOOBEXWUDJ-SSDOTTSWSA-N 0 3 286.332 -1.109 20 0 CAADHN Cc1nn(C)cc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124971616 776019074 /nfs/dbraw/zinc/01/90/74/776019074.db2.gz FLAGCVDEVJOJAM-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN COCCOCC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001124925787 776019091 /nfs/dbraw/zinc/01/90/91/776019091.db2.gz LEMBYUXDVYBZAT-JTQLQIEISA-N 0 3 275.349 -1.168 20 0 CAADHN Cc1nn(C)cc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124971617 776019168 /nfs/dbraw/zinc/01/91/68/776019168.db2.gz FLAGCVDEVJOJAM-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN Cc1nn(C)cc1C(=O)NCCN[C@H]1CCNC1=O ZINC001124968240 776019224 /nfs/dbraw/zinc/01/92/24/776019224.db2.gz XQHTWUFTAXVXBM-JTQLQIEISA-N 0 3 265.317 -1.064 20 0 CAADHN CCNC(=O)CNCCNC(=O)COCCOC ZINC001124921267 776019307 /nfs/dbraw/zinc/01/93/07/776019307.db2.gz QEFFKMVBDINRBM-UHFFFAOYSA-N 0 3 261.322 -1.509 20 0 CAADHN CC[C@H](NCCNC(=O)COCCOC)C(N)=O ZINC001124941051 776019362 /nfs/dbraw/zinc/01/93/62/776019362.db2.gz BJKRNEQRFVKKHE-VIFPVBQESA-N 0 3 261.322 -1.381 20 0 CAADHN Cc1nn(C)cc1C(=O)NCCN[C@@H](C)C(N)=O ZINC001124972609 776019442 /nfs/dbraw/zinc/01/94/42/776019442.db2.gz UZJVQQIRSNIXSC-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN COCCOCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124941471 776019502 /nfs/dbraw/zinc/01/95/02/776019502.db2.gz KNWVOEQTEYTRTH-QMMMGPOBSA-N 0 3 290.320 -2.061 20 0 CAADHN COCCOCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001124942088 776020056 /nfs/dbraw/zinc/02/00/56/776020056.db2.gz TZJICWOVEJOLFC-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NC(C1CC1)C1CC1 ZINC001125080351 776020887 /nfs/dbraw/zinc/02/08/87/776020887.db2.gz QXZBHKJECDAEFE-UHFFFAOYSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@H]1CCCCN1C(=O)CNCCNC(=O)CC(N)=O ZINC001125080348 776021615 /nfs/dbraw/zinc/02/16/15/776021615.db2.gz QXVXQIWQXSRMMG-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC(N)=O ZINC001125080750 776021845 /nfs/dbraw/zinc/02/18/45/776021845.db2.gz XHAWDXOHBYBJDA-SSDOTTSWSA-N 0 3 287.320 -2.198 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC(N)=O ZINC001125080751 776022115 /nfs/dbraw/zinc/02/21/15/776022115.db2.gz XHAWDXOHBYBJDA-ZETCQYMHSA-N 0 3 287.320 -2.198 20 0 CAADHN NC(=O)CC(=O)NCCNCCN1CCCS1(=O)=O ZINC001125084828 776023017 /nfs/dbraw/zinc/02/30/17/776023017.db2.gz KIIPSJZSNYVBPT-UHFFFAOYSA-N 0 3 292.361 -2.397 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)CC(N)=O ZINC001125079648 776023061 /nfs/dbraw/zinc/02/30/61/776023061.db2.gz DOLAVZGXDZYZBN-UHFFFAOYSA-N 0 3 273.293 -2.587 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)CC(N)=O ZINC001125079662 776023142 /nfs/dbraw/zinc/02/31/42/776023142.db2.gz FEBDLMAGDPYJPA-UHFFFAOYSA-N 0 3 258.322 -1.564 20 0 CAADHN Cc1nn(C)cc1CNCCNC(=O)CC(N)=O ZINC001125079982 776023299 /nfs/dbraw/zinc/02/32/99/776023299.db2.gz JSUORJROEZRSDM-UHFFFAOYSA-N 0 3 253.306 -1.190 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)CC(N)=O)C1=O ZINC001125084855 776023392 /nfs/dbraw/zinc/02/33/92/776023392.db2.gz LJAOMWBAYWCEPO-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)CC(N)=O ZINC001125084877 776023845 /nfs/dbraw/zinc/02/38/45/776023845.db2.gz MEHVDJMRBKWSRZ-UHFFFAOYSA-N 0 3 258.322 -1.660 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001125079699 776024231 /nfs/dbraw/zinc/02/42/31/776024231.db2.gz GLLQSFZSZMHEIP-UHFFFAOYSA-N 0 3 285.304 -2.444 20 0 CAADHN CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)CC(N)=O ZINC001125090612 776024953 /nfs/dbraw/zinc/02/49/53/776024953.db2.gz MKMHETUIZONDJC-VIFPVBQESA-N 0 3 272.349 -1.177 20 0 CAADHN O=C(Cc1ccon1)NCCN[C@@H]1CCNC1=O ZINC001125103718 776025161 /nfs/dbraw/zinc/02/51/61/776025161.db2.gz LNIQLGFCBTYFDU-SECBINFHSA-N 0 3 252.274 -1.189 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)CC(N)=O ZINC001125090453 776025247 /nfs/dbraw/zinc/02/52/47/776025247.db2.gz KJDSFHSGCOGXKH-UHFFFAOYSA-N 0 3 266.323 -2.883 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC(N)=O ZINC001125090616 776025426 /nfs/dbraw/zinc/02/54/26/776025426.db2.gz MMVJXWPCIKOQBP-LURJTMIESA-N 0 3 273.293 -2.588 20 0 CAADHN O=C(Cc1ccon1)NCCN[C@H]1CCNC1=O ZINC001125103719 776025677 /nfs/dbraw/zinc/02/56/77/776025677.db2.gz LNIQLGFCBTYFDU-VIFPVBQESA-N 0 3 252.274 -1.189 20 0 CAADHN C[C@@H](NCCNC(=O)CC(N)=O)C(=O)NC(N)=O ZINC001125090943 776025798 /nfs/dbraw/zinc/02/57/98/776025798.db2.gz WWNCEGUSESTEIT-RXMQYKEDSA-N 0 3 259.266 -2.849 20 0 CAADHN C[C@H](NCCNC(=O)CC(N)=O)C(=O)N1CCCCC1 ZINC001125090423 776025949 /nfs/dbraw/zinc/02/59/49/776025949.db2.gz JOIOZCVUGXCZRG-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN C[C@@H](NCCNC(=O)CC(N)=O)C(=O)N1CCCCC1 ZINC001125090424 776026019 /nfs/dbraw/zinc/02/60/19/776026019.db2.gz JOIOZCVUGXCZRG-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN Cc1c(C(=O)NCCNCC(=O)NCC2CC2)nnn1C ZINC001125170232 776026960 /nfs/dbraw/zinc/02/69/60/776026960.db2.gz SOZHDMJSOYZSNW-UHFFFAOYSA-N 0 3 294.359 -1.031 20 0 CAADHN Cc1c(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)nnn1C ZINC001125184445 776027041 /nfs/dbraw/zinc/02/70/41/776027041.db2.gz HVJZEDVSTISEAE-LURJTMIESA-N 0 3 297.319 -1.974 20 0 CAADHN Cc1c(C(=O)NCCN[C@@H]2CCCNC2=O)nnn1C ZINC001125175569 776027089 /nfs/dbraw/zinc/02/70/89/776027089.db2.gz XMFXFNJNNDESRQ-SECBINFHSA-N 0 3 280.332 -1.278 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CN(C)CCO1)C(N)=O ZINC001125203330 776027490 /nfs/dbraw/zinc/02/74/90/776027490.db2.gz LNVBMTDEYWZUDP-BDAKNGLRSA-N 0 3 258.322 -2.103 20 0 CAADHN O=C(Cc1cc[nH]n1)NCCN[C@@H]1CCCNC1=O ZINC001125147693 776027845 /nfs/dbraw/zinc/02/78/45/776027845.db2.gz ZBUUEPQIJCZJCQ-SNVBAGLBSA-N 0 3 265.317 -1.063 20 0 CAADHN Cc1c(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)nnn1C ZINC001125184446 776028344 /nfs/dbraw/zinc/02/83/44/776028344.db2.gz HVJZEDVSTISEAE-ZCFIWIBFSA-N 0 3 297.319 -1.974 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CN(C)CCO1)C(N)=O ZINC001125203331 776028374 /nfs/dbraw/zinc/02/83/74/776028374.db2.gz LNVBMTDEYWZUDP-DTWKUNHWSA-N 0 3 258.322 -2.103 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1nnn(C)c1C ZINC001125175467 776028511 /nfs/dbraw/zinc/02/85/11/776028511.db2.gz VJNHLLBPGDFEQI-UHFFFAOYSA-N 0 3 297.319 -2.101 20 0 CAADHN CN1CCO[C@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1 ZINC001125220156 776029262 /nfs/dbraw/zinc/02/92/62/776029262.db2.gz CZRMKZJLHDFUDL-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001125223324 776029324 /nfs/dbraw/zinc/02/93/24/776029324.db2.gz ZXGCTJXOKXYTIY-VHSXEESVSA-N 0 3 298.343 -2.172 20 0 CAADHN CN1CCO[C@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001125221747 776030025 /nfs/dbraw/zinc/03/00/25/776030025.db2.gz TVSZOJQJJPTSRM-NSHDSACASA-N 0 3 284.360 -1.699 20 0 CAADHN CN1CCO[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001125221245 776030088 /nfs/dbraw/zinc/03/00/88/776030088.db2.gz OPQHTTANRCIRIY-UWVGGRQHSA-N 0 3 270.333 -2.089 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1 ZINC001125220159 776030557 /nfs/dbraw/zinc/03/05/57/776030557.db2.gz CZRMKZJLHDFUDL-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001125222408 776030647 /nfs/dbraw/zinc/03/06/47/776030647.db2.gz VUASVTAQVYKALX-GHMZBOCLSA-N 0 3 284.360 -1.699 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CN(C)CCO1)C(N)=O ZINC001125221665 776031204 /nfs/dbraw/zinc/03/12/04/776031204.db2.gz RWVOGHNVMWVOLN-NXEZZACHSA-N 0 3 272.349 -1.713 20 0 CAADHN CCn1ccc(CC(=O)NCCNCC(N)=O)n1 ZINC001127726047 776034815 /nfs/dbraw/zinc/03/48/15/776034815.db2.gz TUKVNEKQFIXDOG-UHFFFAOYSA-N 0 3 253.306 -1.363 20 0 CAADHN CC1(C)CCN(CC(=O)N[C@@H]2CN(CCO)C[C@@H]2O)C1 ZINC001083783071 776034947 /nfs/dbraw/zinc/03/49/47/776034947.db2.gz YRLKAVSMBCFUPT-NEPJUHHUSA-N 0 3 285.388 -1.128 20 0 CAADHN CCn1ccc(CC(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001127725789 776035039 /nfs/dbraw/zinc/03/50/39/776035039.db2.gz HQZXDTMEANMKHA-UHFFFAOYSA-N 0 3 296.331 -1.654 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@]23C[C@H]2COC3)C1=O ZINC001127748848 776038321 /nfs/dbraw/zinc/03/83/21/776038321.db2.gz YUOMUCIFDJWAGY-KWBADKCTSA-N 0 3 267.329 -1.041 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083783625 776039100 /nfs/dbraw/zinc/03/91/00/776039100.db2.gz BVXLIPAEBNETEY-YTWAJWBKSA-N 0 3 269.345 -1.075 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127744049 776039132 /nfs/dbraw/zinc/03/91/32/776039132.db2.gz UKWLQJKZZYTHEQ-FZMZJTMJSA-N 0 3 299.371 -1.119 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127742590 776039405 /nfs/dbraw/zinc/03/94/05/776039405.db2.gz AITGLFWNMNCOKI-UFBFGSQYSA-N 0 3 284.316 -1.816 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@]23C[C@H]2COC3)C1=O ZINC001127748846 776039421 /nfs/dbraw/zinc/03/94/21/776039421.db2.gz YUOMUCIFDJWAGY-CWSCBRNRSA-N 0 3 267.329 -1.041 20 0 CAADHN C[C@@H](NCCNC(=O)c1nnn(C(C)(C)C)n1)C(N)=O ZINC001127766360 776040117 /nfs/dbraw/zinc/04/01/17/776040117.db2.gz VKUIIAJERBJRRU-SSDOTTSWSA-N 0 3 283.336 -1.379 20 0 CAADHN CC(C)(C)n1nnc(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001127765986 776040766 /nfs/dbraw/zinc/04/07/66/776040766.db2.gz RVVGYPISTCIXEK-QMMMGPOBSA-N 0 3 295.347 -1.364 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083784181 776041504 /nfs/dbraw/zinc/04/15/04/776041504.db2.gz GXXQFECZRCOOII-YTWAJWBKSA-N 0 3 267.329 -1.321 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077600748 776043227 /nfs/dbraw/zinc/04/32/27/776043227.db2.gz WMGKMRWXHKVIPR-IVZWLZJFSA-N 0 3 270.333 -1.371 20 0 CAADHN CC(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077600686 776043727 /nfs/dbraw/zinc/04/37/27/776043727.db2.gz UIOHXYHCDYLCOT-HBNTYKKESA-N 0 3 284.360 -1.125 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(CC2CCCC2)C[C@H]1O ZINC001077605772 776045489 /nfs/dbraw/zinc/04/54/89/776045489.db2.gz FHAZLOXYRGIUSF-NXEZZACHSA-N 0 3 255.318 -1.177 20 0 CAADHN CC1CC(CN2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001077607170 776048506 /nfs/dbraw/zinc/04/85/06/776048506.db2.gz VQEVTLBLOQJYQC-YDYPAMBWSA-N 0 3 255.318 -1.321 20 0 CAADHN NC(=O)CNCCNC(=O)c1cncc2[nH]cnc21 ZINC001127801377 776051050 /nfs/dbraw/zinc/05/10/50/776051050.db2.gz LDFFVFSZCOVOFF-UHFFFAOYSA-N 0 3 262.273 -1.237 20 0 CAADHN NC(=O)CC(=O)N[C@H]1CN(CCO)CC2(CCOCC2)C1 ZINC001099572611 776053957 /nfs/dbraw/zinc/05/39/57/776053957.db2.gz ZTPMTMVQGJCAMQ-LLVKDONJSA-N 0 3 299.371 -1.159 20 0 CAADHN NCCS(=O)(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001239098246 776055655 /nfs/dbraw/zinc/05/56/55/776055655.db2.gz OWZABYWHFHKTFC-UHFFFAOYSA-N 0 3 291.373 -1.402 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001077669703 776055992 /nfs/dbraw/zinc/05/59/92/776055992.db2.gz IHMUKFDKAUPLJB-WISYIIOYSA-N 0 3 299.371 -1.163 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@@H]2CN(CCO)C[C@H]2O)C1 ZINC001077679542 776058949 /nfs/dbraw/zinc/05/89/49/776058949.db2.gz UXVBBLAPFOVKKP-QJPTWQEYSA-N 0 3 271.361 -1.518 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077681475 776059025 /nfs/dbraw/zinc/05/90/25/776059025.db2.gz BVXLIPAEBNETEY-LMLFDSFASA-N 0 3 269.345 -1.075 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCC[C@H](C)NC(=O)C(N)=O ZINC001077678802 776059115 /nfs/dbraw/zinc/05/91/15/776059115.db2.gz XEKBIEKNDZEODY-ZETCQYMHSA-N 0 3 281.316 -1.243 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NCCNCCF ZINC001127858371 776062012 /nfs/dbraw/zinc/06/20/12/776062012.db2.gz CVZQSPJDCQQJHZ-MRVPVSSYSA-N 0 3 269.342 -1.011 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001127858521 776062704 /nfs/dbraw/zinc/06/27/04/776062704.db2.gz FWNNRFOWRSZRNO-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001127858523 776062731 /nfs/dbraw/zinc/06/27/31/776062731.db2.gz FWNNRFOWRSZRNO-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001077753529 776066344 /nfs/dbraw/zinc/06/63/44/776066344.db2.gz KYVAOCHNPAZPRZ-IVZWLZJFSA-N 0 3 296.327 -1.844 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)c1ccncc1)C(N)=O ZINC001127897031 776066907 /nfs/dbraw/zinc/06/69/07/776066907.db2.gz MJWUWYFZTOIXML-VIFPVBQESA-N 0 3 293.327 -1.609 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)c1ccncc1 ZINC001127902314 776068870 /nfs/dbraw/zinc/06/88/70/776068870.db2.gz NPMILAIXYDVQEZ-UHFFFAOYSA-N 0 3 279.300 -1.998 20 0 CAADHN O=C(CNC(=O)C1CCCC1)NCCN[C@@H]1CCNC1=O ZINC001127941232 776072091 /nfs/dbraw/zinc/07/20/91/776072091.db2.gz QQDSCPYPPOMFKD-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001127945842 776072287 /nfs/dbraw/zinc/07/22/87/776072287.db2.gz CLXHPCDYYIAXIQ-BDAKNGLRSA-N 0 3 298.343 -1.588 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)C1CCCC1)C(N)=O ZINC001127940629 776072454 /nfs/dbraw/zinc/07/24/54/776072454.db2.gz GADHSJMLILYJDK-SECBINFHSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@H](NC(=O)CC(F)(F)F)C(=O)NCCNCC(N)=O ZINC001127966594 776073287 /nfs/dbraw/zinc/07/32/87/776073287.db2.gz CJEQFGOQGYZCBD-LURJTMIESA-N 0 3 298.265 -1.365 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@H](C)C(N)=O ZINC001127946210 776073662 /nfs/dbraw/zinc/07/36/62/776073662.db2.gz HYSKZQXIRYDACS-SFYZADRCSA-N 0 3 258.322 -1.519 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@@H](CC)C(N)=O ZINC001127952717 776073718 /nfs/dbraw/zinc/07/37/18/776073718.db2.gz YPXIMCVJEHAYCM-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN O=C(CNC(=O)c1ccoc1)NCCN[C@H]1CCNC1=O ZINC001127951801 776073731 /nfs/dbraw/zinc/07/37/31/776073731.db2.gz LKGKKKLRENXGTP-JTQLQIEISA-N 0 3 294.311 -1.396 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC ZINC001127947699 776073740 /nfs/dbraw/zinc/07/37/40/776073740.db2.gz ZEZWDBDCHJMXOO-DTWKUNHWSA-N 0 3 272.349 -1.259 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@H]1CCNC1=O ZINC001127946627 776073750 /nfs/dbraw/zinc/07/37/50/776073750.db2.gz MMTVTJFYNJAPMY-IUCAKERBSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)c1ccoc1 ZINC001127951932 776073756 /nfs/dbraw/zinc/07/37/56/776073756.db2.gz MPOFHXOQSGKEBS-SECBINFHSA-N 0 3 296.327 -1.150 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)c1ccoc1)C(N)=O ZINC001127952732 776073776 /nfs/dbraw/zinc/07/37/76/776073776.db2.gz YTBDUWJEZJHUPG-MRVPVSSYSA-N 0 3 282.300 -1.411 20 0 CAADHN CC[C@H](NCCNC(=O)CNC(=O)c1ccoc1)C(N)=O ZINC001127956929 776073848 /nfs/dbraw/zinc/07/38/48/776073848.db2.gz QCBSYCJPKIKASE-JTQLQIEISA-N 0 3 296.327 -1.021 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@@H](CC)C(N)=O ZINC001127952720 776073854 /nfs/dbraw/zinc/07/38/54/776073854.db2.gz YPXIMCVJEHAYCM-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)NCCNCc1ccnn1C ZINC001127968336 776073863 /nfs/dbraw/zinc/07/38/63/776073863.db2.gz ZJTFTYXBGFZAHG-JTQLQIEISA-N 0 3 297.359 -1.223 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)c1ccoc1 ZINC001127951929 776073968 /nfs/dbraw/zinc/07/39/68/776073968.db2.gz MMMJAVGTBBPXTO-UHFFFAOYSA-N 0 3 282.300 -1.539 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@H]1CCNC1=O ZINC001127946625 776073998 /nfs/dbraw/zinc/07/39/98/776073998.db2.gz MMTVTJFYNJAPMY-BDAKNGLRSA-N 0 3 270.333 -1.505 20 0 CAADHN Cc1occc1C(=O)NCC(=O)NCCN[C@H](C)C(N)=O ZINC001127962428 776074054 /nfs/dbraw/zinc/07/40/54/776074054.db2.gz QZNDXQGRDJDTSO-MRVPVSSYSA-N 0 3 296.327 -1.103 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001127947484 776074059 /nfs/dbraw/zinc/07/40/59/776074059.db2.gz XBIWKDMHRMGFBS-SSDOTTSWSA-N 0 3 287.320 -2.198 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CNC(=O)c1ccoc1 ZINC001127951933 776074105 /nfs/dbraw/zinc/07/41/05/776074105.db2.gz MPOFHXOQSGKEBS-VIFPVBQESA-N 0 3 296.327 -1.150 20 0 CAADHN C[C@@H](NC(=O)C1CCCC1)C(=O)NCCNCC(N)=O ZINC001127974687 776074789 /nfs/dbraw/zinc/07/47/89/776074789.db2.gz ZAEHCICYMBHRLY-SECBINFHSA-N 0 3 284.360 -1.128 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)NCCNCC(=O)N(C)C ZINC001127973208 776075334 /nfs/dbraw/zinc/07/53/34/776075334.db2.gz ISWJFHFGUYBZED-SECBINFHSA-N 0 3 288.348 -2.069 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)CC ZINC001127984959 776077698 /nfs/dbraw/zinc/07/76/98/776077698.db2.gz JABYTNIRKHWLFY-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)NC(=O)c1ccoc1)C(N)=O ZINC001127986045 776078638 /nfs/dbraw/zinc/07/86/38/776078638.db2.gz UMAYECAPAXKEJM-IUCAKERBSA-N 0 3 296.327 -1.023 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)NC(=O)c1ccoc1)C(N)=O ZINC001127986043 776078789 /nfs/dbraw/zinc/07/87/89/776078789.db2.gz UMAYECAPAXKEJM-BDAKNGLRSA-N 0 3 296.327 -1.023 20 0 CAADHN CN1C[C@H](NS(=O)(=O)N2CCNCC2)CCC1=O ZINC000084092940 776079280 /nfs/dbraw/zinc/07/92/80/776079280.db2.gz LFZCVFMGRXDZIT-SECBINFHSA-N 0 3 276.362 -1.653 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)NC(=O)COC ZINC001127999843 776080822 /nfs/dbraw/zinc/08/08/22/776080822.db2.gz ZBWOSXVSMFFSIU-DTWKUNHWSA-N 0 3 288.348 -2.022 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H](C)NC(=O)COC)C(N)=O ZINC001127999630 776081083 /nfs/dbraw/zinc/08/10/83/776081083.db2.gz SMZHAIBPGSYZCA-BDAKNGLRSA-N 0 3 288.348 -1.893 20 0 CAADHN CCC(=O)N1CCC[C@@H](C(=O)NCCNCC(N)=O)C1 ZINC001128009101 776082152 /nfs/dbraw/zinc/08/21/52/776082152.db2.gz HPUKMYGTCVPJKS-SNVBAGLBSA-N 0 3 284.360 -1.174 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077830858 776088587 /nfs/dbraw/zinc/08/85/87/776088587.db2.gz ANCQCXHAQLLLHS-NXEZZACHSA-N 0 3 283.328 -1.390 20 0 CAADHN CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@@H](C1CC1)N(C)C ZINC001212409532 776089501 /nfs/dbraw/zinc/08/95/01/776089501.db2.gz HLYKTFZCPFOAOD-NQBHXWOUSA-N 0 3 298.387 -1.373 20 0 CAADHN CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)[C@H](C1CC1)N(C)C ZINC001212409533 776089640 /nfs/dbraw/zinc/08/96/40/776089640.db2.gz HLYKTFZCPFOAOD-WZRBSPASSA-N 0 3 298.387 -1.373 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1nnn(C(C)(C)C)n1 ZINC001128048294 776090757 /nfs/dbraw/zinc/09/07/57/776090757.db2.gz XOFOUFYOZJVBHF-UHFFFAOYSA-N 0 3 297.363 -1.578 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1nnn(C(C)(C)C)n1)C(N)=O ZINC001128047527 776090825 /nfs/dbraw/zinc/09/08/25/776090825.db2.gz MCUCFFQESRVDES-MRVPVSSYSA-N 0 3 297.363 -1.450 20 0 CAADHN C[C@H](NCCNC(=O)Cc1nnn(C(C)(C)C)n1)C(N)=O ZINC001128047530 776091743 /nfs/dbraw/zinc/09/17/43/776091743.db2.gz MCUCFFQESRVDES-QMMMGPOBSA-N 0 3 297.363 -1.450 20 0 CAADHN COC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001077861510 776093452 /nfs/dbraw/zinc/09/34/52/776093452.db2.gz JYRPLUAHKVBWDZ-IWSPIJDZSA-N 0 3 269.305 -1.386 20 0 CAADHN COC[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001077861510 776093460 /nfs/dbraw/zinc/09/34/60/776093460.db2.gz JYRPLUAHKVBWDZ-IWSPIJDZSA-N 0 3 269.305 -1.386 20 0 CAADHN O=C(N[C@@H]1CN(CCCO)C[C@H]1O)c1nc[nH]n1 ZINC001077861670 776093721 /nfs/dbraw/zinc/09/37/21/776093721.db2.gz QZJMSYMMIIZFNV-HTQZYQBOSA-N 0 3 255.278 -2.038 20 0 CAADHN O=C(N[C@@H]1CN(CCCO)C[C@H]1O)c1nnc[nH]1 ZINC001077861670 776093705 /nfs/dbraw/zinc/09/37/05/776093705.db2.gz QZJMSYMMIIZFNV-HTQZYQBOSA-N 0 3 255.278 -2.038 20 0 CAADHN O=C(N[C@@H]1CN(CCCO)C[C@H]1O)c1ncn[nH]1 ZINC001077861670 776093712 /nfs/dbraw/zinc/09/37/12/776093712.db2.gz QZJMSYMMIIZFNV-HTQZYQBOSA-N 0 3 255.278 -2.038 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077848688 776094325 /nfs/dbraw/zinc/09/43/25/776094325.db2.gz KSPRDXRBBSQSPF-RKDXNWHRSA-N 0 3 284.316 -1.892 20 0 CAADHN CC[C@H](NCCNC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001128105326 776104291 /nfs/dbraw/zinc/10/42/91/776104291.db2.gz XBYLXFBJSTYYIT-QMMMGPOBSA-N 0 3 277.346 -1.999 20 0 CAADHN C[C@@H](O)CN1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001089956283 776107631 /nfs/dbraw/zinc/10/76/31/776107631.db2.gz KFNMPSJFIHCLAF-MNOVXSKESA-N 0 3 299.371 -1.160 20 0 CAADHN C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976122 776108136 /nfs/dbraw/zinc/10/81/36/776108136.db2.gz CGSSKHPLTKDBQL-IWSPIJDZSA-N 0 3 269.305 -2.111 20 0 CAADHN CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001077977855 776109166 /nfs/dbraw/zinc/10/91/66/776109166.db2.gz SIGMDICLGVVRAV-RKDXNWHRSA-N 0 3 253.306 -1.082 20 0 CAADHN CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001077977855 776109168 /nfs/dbraw/zinc/10/91/68/776109168.db2.gz SIGMDICLGVVRAV-RKDXNWHRSA-N 0 3 253.306 -1.082 20 0 CAADHN O=C(Cc1nc[nH]n1)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001077976685 776109535 /nfs/dbraw/zinc/10/95/35/776109535.db2.gz QISOPPRNTKCWCT-RKDXNWHRSA-N 0 3 269.305 -2.109 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](C)CCNC(=O)C(N)=O)N(C)C ZINC001078115908 776121408 /nfs/dbraw/zinc/12/14/08/776121408.db2.gz ATSQVQJIIDOTFW-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001078137218 776126509 /nfs/dbraw/zinc/12/65/09/776126509.db2.gz NQHIMEKUMIVCMH-GHMZBOCLSA-N 0 3 280.328 -1.035 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078146779 776127669 /nfs/dbraw/zinc/12/76/69/776127669.db2.gz ZZHIRWBQMWWYPI-RKDXNWHRSA-N 0 3 284.316 -1.892 20 0 CAADHN O=C(CN1CCCC1)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001078180263 776129607 /nfs/dbraw/zinc/12/96/07/776129607.db2.gz UVNCDLLDDYERJF-VXGBXAGGSA-N 0 3 271.361 -1.374 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001078167609 776130769 /nfs/dbraw/zinc/13/07/69/776130769.db2.gz HMEBYKJCNUNQFX-NXEZZACHSA-N 0 3 296.327 -1.329 20 0 CAADHN COCCN1C[C@@H](O)[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001078182171 776132332 /nfs/dbraw/zinc/13/23/32/776132332.db2.gz IXIRWZJFNVGINZ-VXGBXAGGSA-N 0 3 282.344 -1.001 20 0 CAADHN Cc1nccn1CC(=O)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001078182290 776133184 /nfs/dbraw/zinc/13/31/84/776133184.db2.gz OJXADSHCJSDOMR-VXGBXAGGSA-N 0 3 282.344 -1.265 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001078199732 776133685 /nfs/dbraw/zinc/13/36/85/776133685.db2.gz UHEMBNNGOURGAY-JHJVBQTASA-N 0 3 299.371 -1.197 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001078239874 776136044 /nfs/dbraw/zinc/13/60/44/776136044.db2.gz QQYGTHYACKXLDS-MWLCHTKSSA-N 0 3 282.344 -1.091 20 0 CAADHN COCC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001078302381 776137093 /nfs/dbraw/zinc/13/70/93/776137093.db2.gz HJSPQQGJEFYVJW-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN NC(=O)CC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001078361863 776139303 /nfs/dbraw/zinc/13/93/03/776139303.db2.gz NAAFZFGVQYDLHP-NXEZZACHSA-N 0 3 298.343 -2.043 20 0 CAADHN NC(=O)CC(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001078361875 776139633 /nfs/dbraw/zinc/13/96/33/776139633.db2.gz NAAFZFGVQYDLHP-UWVGGRQHSA-N 0 3 298.343 -2.043 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001078295079 776139884 /nfs/dbraw/zinc/13/98/84/776139884.db2.gz UBBXMPCJLRUGEA-IVZWLZJFSA-N 0 3 283.328 -1.390 20 0 CAADHN NC(=O)C(=O)N1CCCO[C@H](CN[C@H]2CCCNC2=O)C1 ZINC001078457161 776140959 /nfs/dbraw/zinc/14/09/59/776140959.db2.gz PRAOOGOLRKUUKN-ZJUUUORDSA-N 0 3 298.343 -2.043 20 0 CAADHN C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)NC(=O)C(N)=O ZINC001078472992 776141329 /nfs/dbraw/zinc/14/13/29/776141329.db2.gz MXNOPXHZWXBTPI-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CN1CC[C@@H](NC[C@@H]2CN(C(=O)C(N)=O)CCCO2)C1=O ZINC001078458729 776141439 /nfs/dbraw/zinc/14/14/39/776141439.db2.gz PLTJECGLOLGROX-NXEZZACHSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@@H](CCNC(=O)CN1CCC[C@@H]1C)NC(=O)C(N)=O ZINC001078467801 776141480 /nfs/dbraw/zinc/14/14/80/776141480.db2.gz OSNMGHDTFCHEAP-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN NC(=O)C(=O)N1CCCO[C@H](CN[C@@H]2CCCNC2=O)C1 ZINC001078457158 776141769 /nfs/dbraw/zinc/14/17/69/776141769.db2.gz PRAOOGOLRKUUKN-NXEZZACHSA-N 0 3 298.343 -2.043 20 0 CAADHN NC(=O)C(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001078456721 776141852 /nfs/dbraw/zinc/14/18/52/776141852.db2.gz GCJYWPYKXUFMDB-DTWKUNHWSA-N 0 3 284.316 -2.433 20 0 CAADHN Cc1nc(CNC[C@H]2CN(C(=O)C(N)=O)CCCO2)n[nH]1 ZINC001078458156 776141877 /nfs/dbraw/zinc/14/18/77/776141877.db2.gz ATPLJSWRIRLHGP-VIFPVBQESA-N 0 3 296.331 -1.694 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C12CCC2 ZINC001078778276 776146343 /nfs/dbraw/zinc/14/63/43/776146343.db2.gz ZUPQKCSNMRFOGF-DTWKUNHWSA-N 0 3 292.343 -1.151 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000691357404 776148706 /nfs/dbraw/zinc/14/87/06/776148706.db2.gz WGVVPUFNUGHSPA-SNVBAGLBSA-N 0 3 257.334 -1.153 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NCc1cnn(C)c1 ZINC001055020440 776149818 /nfs/dbraw/zinc/14/98/18/776149818.db2.gz OMBUWJBSBWGGTB-WCBMZHEXSA-N 0 3 265.317 -1.158 20 0 CAADHN C[C@H](NCCNC(=O)c1cccn2nnnc12)C(N)=O ZINC001128199656 776151335 /nfs/dbraw/zinc/15/13/35/776151335.db2.gz MFXBYBXIMGDPMK-ZETCQYMHSA-N 0 3 277.288 -1.683 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001149325032 776151671 /nfs/dbraw/zinc/15/16/71/776151671.db2.gz ICSSPJSXXANGGH-MWLCHTKSSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccn2nnnc12)C(N)=O ZINC001128199655 776151736 /nfs/dbraw/zinc/15/17/36/776151736.db2.gz MFXBYBXIMGDPMK-SSDOTTSWSA-N 0 3 277.288 -1.683 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cccn2nnnc12 ZINC001128199665 776152287 /nfs/dbraw/zinc/15/22/87/776152287.db2.gz MMUZPGBVLGNEIL-QMMMGPOBSA-N 0 3 291.315 -1.422 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cccn2nnnc12)C(N)=O ZINC001128203713 776152882 /nfs/dbraw/zinc/15/28/82/776152882.db2.gz ARMQQWYSTFOBKW-SECBINFHSA-N 0 3 291.315 -1.292 20 0 CAADHN CC(C)n1nccc1C(=O)NCCNCC(=O)NC(N)=O ZINC001128204440 776152926 /nfs/dbraw/zinc/15/29/26/776152926.db2.gz VUWHLPDNAMWLNR-UHFFFAOYSA-N 0 3 296.331 -1.022 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1OC)N(C)C ZINC001212461321 776153663 /nfs/dbraw/zinc/15/36/63/776153663.db2.gz WATVOIXAYLXTKX-GMTAPVOTSA-N 0 3 286.376 -1.373 20 0 CAADHN O=C(Cn1nccn1)NCCN[C@@H]1CCCNC1=O ZINC001128269713 776155470 /nfs/dbraw/zinc/15/54/70/776155470.db2.gz RESPXSISLQOVQW-SECBINFHSA-N 0 3 266.305 -1.738 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)Cn2nccn2)C1=O ZINC001128269071 776155514 /nfs/dbraw/zinc/15/55/14/776155514.db2.gz HRBVMZSVJOKYDF-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN O=C(Cn1nccn1)NCCNCC(=O)N1CCCCC1 ZINC001128268691 776155661 /nfs/dbraw/zinc/15/56/61/776155661.db2.gz BNGOKBVWNRZAGA-UHFFFAOYSA-N 0 3 294.359 -1.004 20 0 CAADHN CCOCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099648337 776168483 /nfs/dbraw/zinc/16/84/83/776168483.db2.gz RDHGSJSGUYVXJR-GHMZBOCLSA-N 0 3 260.334 -1.043 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128269689 776156064 /nfs/dbraw/zinc/15/60/64/776156064.db2.gz QFBFEXRMMJRLHN-UHFFFAOYSA-N 0 3 282.348 -1.101 20 0 CAADHN O=C(Cn1nccn1)NCCNCC(=O)N1CCOCC1 ZINC001128269466 776156141 /nfs/dbraw/zinc/15/61/41/776156141.db2.gz MJTDVZFTDXFZSY-UHFFFAOYSA-N 0 3 296.331 -2.157 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128269515 776156202 /nfs/dbraw/zinc/15/62/02/776156202.db2.gz NFUASMINLDDDLR-UHFFFAOYSA-N 0 3 297.319 -2.170 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cn1nccn1 ZINC001128269855 776156231 /nfs/dbraw/zinc/15/62/31/776156231.db2.gz ULPABIZNHOQJEH-UHFFFAOYSA-N 0 3 254.294 -1.928 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)Cn2nccn2)C1=O ZINC001128273367 776157214 /nfs/dbraw/zinc/15/72/14/776157214.db2.gz KJVJYXQQDAPOBI-SECBINFHSA-N 0 3 266.305 -1.785 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)Cn1nccn1 ZINC001128269003 776157599 /nfs/dbraw/zinc/15/75/99/776157599.db2.gz GESKCEOWVGCEMC-UHFFFAOYSA-N 0 3 282.348 -1.149 20 0 CAADHN CCN(C(=O)CNCCNC(=O)Cn1nccn1)C1CC1 ZINC001128279308 776157936 /nfs/dbraw/zinc/15/79/36/776157936.db2.gz MAIARFLZJQUYPW-UHFFFAOYSA-N 0 3 294.359 -1.005 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)Cn2nccn2)C1=O ZINC001128279998 776159177 /nfs/dbraw/zinc/15/91/77/776159177.db2.gz SVFILJLMZZSLQB-NSHDSACASA-N 0 3 294.359 -1.007 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001083814853 776160123 /nfs/dbraw/zinc/16/01/23/776160123.db2.gz WZPQVUQQEOZESU-MXWKQRLJSA-N 0 3 295.343 -1.623 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1ccncn1 ZINC001128427040 776166753 /nfs/dbraw/zinc/16/67/53/776166753.db2.gz BJGFIVNLRKIIOT-UHFFFAOYSA-N 0 3 294.315 -1.690 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1ccncn1 ZINC001128424481 776167238 /nfs/dbraw/zinc/16/72/38/776167238.db2.gz RSYGMRBTBWJNPU-UHFFFAOYSA-N 0 3 265.317 -1.139 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1ccncn1)C(N)=O ZINC001128428857 776169411 /nfs/dbraw/zinc/16/94/11/776169411.db2.gz XXUZQMWOAXORBS-SECBINFHSA-N 0 3 265.317 -1.011 20 0 CAADHN CNC(=O)CNCCNC(=O)CN(C)C(=O)C(C)C ZINC001128585432 776198069 /nfs/dbraw/zinc/19/80/69/776198069.db2.gz VXDPRPVZPCDTIW-UHFFFAOYSA-N 0 3 272.349 -1.447 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1ccnn1C)C(N)=O ZINC001128468120 776170459 /nfs/dbraw/zinc/17/04/59/776170459.db2.gz AHCQLGQODBDKPN-SECBINFHSA-N 0 3 267.333 -1.068 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN(C)S(C)(=O)=O ZINC001128603330 776199763 /nfs/dbraw/zinc/19/97/63/776199763.db2.gz FRQMADDKJPYBIS-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN CNC(=O)CNCCNC(=O)CN(C)S(C)(=O)=O ZINC001128603475 776199771 /nfs/dbraw/zinc/19/97/71/776199771.db2.gz IOQODXGLKYRDHC-UHFFFAOYSA-N 0 3 280.350 -2.670 20 0 CAADHN Cn1nccc1CCC(=O)NCCNCC(=O)NC(N)=O ZINC001128468880 776171497 /nfs/dbraw/zinc/17/14/97/776171497.db2.gz MDFIHZVISYXWFE-UHFFFAOYSA-N 0 3 296.331 -1.747 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1ccnn1C ZINC001128475286 776171680 /nfs/dbraw/zinc/17/16/80/776171680.db2.gz LANLSVVJRGGQIN-UHFFFAOYSA-N 0 3 267.333 -1.196 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1ccn(C)n1)C(N)=O ZINC001128468882 776171774 /nfs/dbraw/zinc/17/17/74/776171774.db2.gz MFGDGJQZMMGINS-SECBINFHSA-N 0 3 267.333 -1.068 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@@H]1CNCC(=O)NC1CC1 ZINC001272993254 776172281 /nfs/dbraw/zinc/17/22/81/776172281.db2.gz LGFIUMLQZLHWEH-SNVBAGLBSA-N 0 3 282.344 -1.279 20 0 CAADHN Cn1nccc1CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001128469126 776172483 /nfs/dbraw/zinc/17/24/83/776172483.db2.gz OUKHEEHAHFVTBS-LLVKDONJSA-N 0 3 279.344 -1.053 20 0 CAADHN Cn1nccc1CCC(=O)NCCNCC(N)=O ZINC001128468811 776172655 /nfs/dbraw/zinc/17/26/55/776172655.db2.gz LDZRAXVGTKTHIB-UHFFFAOYSA-N 0 3 253.306 -1.456 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@H]1O)C1=COCCO1 ZINC001090031970 776173883 /nfs/dbraw/zinc/17/38/83/776173883.db2.gz PGPWWQJVYQEYSL-GHMZBOCLSA-N 0 3 286.328 -1.192 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099650397 776173949 /nfs/dbraw/zinc/17/39/49/776173949.db2.gz DEKAVJIRRWAVKO-ZJUUUORDSA-N 0 3 288.348 -1.757 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099650396 776174206 /nfs/dbraw/zinc/17/42/06/776174206.db2.gz DEKAVJIRRWAVKO-VHSXEESVSA-N 0 3 288.348 -1.757 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001090048855 776175041 /nfs/dbraw/zinc/17/50/41/776175041.db2.gz DIQRUPKQIWLGHB-KOLCDFICSA-N 0 3 296.327 -1.270 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC001090048857 776175346 /nfs/dbraw/zinc/17/53/46/776175346.db2.gz DIQRUPKQIWLGHB-ONGXEEELSA-N 0 3 296.327 -1.270 20 0 CAADHN NC(=O)NCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099650572 776175419 /nfs/dbraw/zinc/17/54/19/776175419.db2.gz HFVLOSLECBOGHG-IUCAKERBSA-N 0 3 274.321 -2.412 20 0 CAADHN O=C(Cn1cnnn1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090055277 776176525 /nfs/dbraw/zinc/17/65/25/776176525.db2.gz QNRGDTHAIDBVCF-VHSXEESVSA-N 0 3 284.320 -2.393 20 0 CAADHN COCCN1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001090051109 776176615 /nfs/dbraw/zinc/17/66/15/776176615.db2.gz RLCOWICAKZDBSB-MWLCHTKSSA-N 0 3 296.327 -1.006 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055386 776177228 /nfs/dbraw/zinc/17/72/28/776177228.db2.gz RQNCYQRTKSKIHN-RKDXNWHRSA-N 0 3 254.294 -1.756 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001090055384 776177676 /nfs/dbraw/zinc/17/76/76/776177676.db2.gz RQNCYQRTKSKIHN-DTWKUNHWSA-N 0 3 254.294 -1.756 20 0 CAADHN Cn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)cn1 ZINC001090059374 776178690 /nfs/dbraw/zinc/17/86/90/776178690.db2.gz GFMNQPAXUHVVOS-NWDGAFQWSA-N 0 3 282.344 -1.033 20 0 CAADHN O=C(Cn1cnnn1)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001090059436 776178756 /nfs/dbraw/zinc/17/87/56/776178756.db2.gz XFKPEZMJBGBCLE-UWVGGRQHSA-N 0 3 286.311 -1.416 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)cn1 ZINC001090059372 776179308 /nfs/dbraw/zinc/17/93/08/776179308.db2.gz GFMNQPAXUHVVOS-NEPJUHHUSA-N 0 3 282.344 -1.033 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@H](C)C(=O)NC ZINC001128795357 776217569 /nfs/dbraw/zinc/21/75/69/776217569.db2.gz MINWFCAZNFKFJY-SSDOTTSWSA-N 0 3 259.310 -2.244 20 0 CAADHN O=C(Cn1cccn1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090080905 776181596 /nfs/dbraw/zinc/18/15/96/776181596.db2.gz YMDPCQJTRNOJTK-NEPJUHHUSA-N 0 3 282.344 -1.183 20 0 CAADHN O=C(Cn1cccn1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090080933 776181728 /nfs/dbraw/zinc/18/17/28/776181728.db2.gz YMDPCQJTRNOJTK-VXGBXAGGSA-N 0 3 282.344 -1.183 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)c1ccn[nH]1 ZINC001090100919 776185069 /nfs/dbraw/zinc/18/50/69/776185069.db2.gz UXIRGNMWKFBBGV-ONGXEEELSA-N 0 3 268.317 -1.043 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccns1 ZINC001128506260 776185127 /nfs/dbraw/zinc/18/51/27/776185127.db2.gz CABZUYBLBIFIKC-UHFFFAOYSA-N 0 3 285.329 -1.082 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)CCC(=O)NCC(N)=O)C2 ZINC001273040835 776185758 /nfs/dbraw/zinc/18/57/58/776185758.db2.gz HQHARJRVEZCOCD-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN COc1nc(NC(=N)N2CCN(C)CC2)nc(OC)n1 ZINC001168737181 776188420 /nfs/dbraw/zinc/18/84/20/776188420.db2.gz XEEGAOFTQBNXQK-UHFFFAOYSA-N 0 3 281.320 -1.095 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)c1cn[nH]c1 ZINC001090109461 776191288 /nfs/dbraw/zinc/19/12/88/776191288.db2.gz RRHALDNXMMMXAJ-QWRGUYRKSA-N 0 3 268.317 -1.043 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@H]1O)c1cn[nH]c1 ZINC001090109449 776191867 /nfs/dbraw/zinc/19/18/67/776191867.db2.gz RRHALDNXMMMXAJ-GHMZBOCLSA-N 0 3 268.317 -1.043 20 0 CAADHN CC[C@H]1CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)O1 ZINC001128545476 776192741 /nfs/dbraw/zinc/19/27/41/776192741.db2.gz YINMGPBAJXZSFF-DTWKUNHWSA-N 0 3 286.332 -1.155 20 0 CAADHN CC[C@@H]1CC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)O1 ZINC001128545475 776193743 /nfs/dbraw/zinc/19/37/43/776193743.db2.gz YINMGPBAJXZSFF-BDAKNGLRSA-N 0 3 286.332 -1.155 20 0 CAADHN CC[C@@H](NCCNC(=O)CNS(=O)(=O)CC)C(N)=O ZINC001128600663 776198367 /nfs/dbraw/zinc/19/83/67/776198367.db2.gz DFCLLDAEVHTVQV-MRVPVSSYSA-N 0 3 294.377 -2.105 20 0 CAADHN CC[C@@H](NCCNC(=O)CN(C)S(C)(=O)=O)C(N)=O ZINC001128608936 776198909 /nfs/dbraw/zinc/19/89/09/776198909.db2.gz HCHCIAYUXIUPMN-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN CS(=O)(=O)NCCC(=O)NCCNCCF ZINC001128603624 776198978 /nfs/dbraw/zinc/19/89/78/776198978.db2.gz KRFKWGGNJOLVAI-UHFFFAOYSA-N 0 3 255.315 -1.399 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCNCC(N)=O ZINC001128595178 776199078 /nfs/dbraw/zinc/19/90/78/776199078.db2.gz SZUGZNJOCMLESR-UHFFFAOYSA-N 0 3 266.323 -2.883 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCNCC(=O)NC ZINC001128595130 776199126 /nfs/dbraw/zinc/19/91/26/776199126.db2.gz SNGIOHVZOGOUEJ-UHFFFAOYSA-N 0 3 280.350 -2.623 20 0 CAADHN Cn1cc(CC(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)cn1 ZINC001090136321 776199241 /nfs/dbraw/zinc/19/92/41/776199241.db2.gz DKGBFHZDYSBEHB-STQMWFEESA-N 0 3 296.371 -1.104 20 0 CAADHN CS(=O)(=O)NCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001128603335 776199270 /nfs/dbraw/zinc/19/92/70/776199270.db2.gz FYRKIEKIDNPLTK-MRVPVSSYSA-N 0 3 292.361 -2.480 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCNS(C)(=O)=O ZINC001128601521 776199679 /nfs/dbraw/zinc/19/96/79/776199679.db2.gz VWXVLMICHIIADT-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN C[C@@H](NCCNC(=O)CN(C)S(C)(=O)=O)C(N)=O ZINC001128604360 776199692 /nfs/dbraw/zinc/19/96/92/776199692.db2.gz WKEIWHYUISFKSH-SSDOTTSWSA-N 0 3 280.350 -2.543 20 0 CAADHN CN(CC(=O)NCCNCC(N)=O)S(C)(=O)=O ZINC001128603734 776199699 /nfs/dbraw/zinc/19/96/99/776199699.db2.gz MLFZVSLMIZHXAF-UHFFFAOYSA-N 0 3 266.323 -2.931 20 0 CAADHN Cn1cc(CC(=O)N[C@H]2CCN(CCCO)C[C@H]2O)cn1 ZINC001090136319 776199823 /nfs/dbraw/zinc/19/98/23/776199823.db2.gz DKGBFHZDYSBEHB-QWHCGFSZSA-N 0 3 296.371 -1.104 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCNCc1ccnn1C ZINC001128619066 776200291 /nfs/dbraw/zinc/20/02/91/776200291.db2.gz MEVDGWRAXUOBHE-UHFFFAOYSA-N 0 3 297.359 -1.269 20 0 CAADHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2O)c1C ZINC001090136526 776200564 /nfs/dbraw/zinc/20/05/64/776200564.db2.gz GBIOALIGYCZDJJ-NXEZZACHSA-N 0 3 295.343 -1.323 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCNCC(=O)N(C)C ZINC001128619084 776201067 /nfs/dbraw/zinc/20/10/67/776201067.db2.gz NCEZUXARDDPFQE-UHFFFAOYSA-N 0 3 288.348 -2.115 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCNCc1cncn1C ZINC001128619106 776201095 /nfs/dbraw/zinc/20/10/95/776201095.db2.gz OHMGGNITXCWVJC-UHFFFAOYSA-N 0 3 297.359 -1.269 20 0 CAADHN CC[C@H](NCCNC(=O)CCNS(C)(=O)=O)C(N)=O ZINC001128609261 776201250 /nfs/dbraw/zinc/20/12/50/776201250.db2.gz RPNZCWFDKGJNFW-QMMMGPOBSA-N 0 3 294.377 -2.105 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCN[C@@H]1CCNC1=O ZINC001128619283 776201343 /nfs/dbraw/zinc/20/13/43/776201343.db2.gz ROIIHIRIQLGPSI-SECBINFHSA-N 0 3 286.332 -2.315 20 0 CAADHN NC(=O)CNCCNC(=O)CCNC(=O)c1ccncc1 ZINC001128634804 776202073 /nfs/dbraw/zinc/20/20/73/776202073.db2.gz WQILIEWPIYPOEY-UHFFFAOYSA-N 0 3 293.327 -1.607 20 0 CAADHN CN(CC(=O)NCCN[C@H]1CCN(C)C1=O)C(=O)C1CC1 ZINC001128623954 776202307 /nfs/dbraw/zinc/20/23/07/776202307.db2.gz HVKMNZOCZQROLY-NSHDSACASA-N 0 3 296.371 -1.209 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCNC(=O)[C@H]1C[C@@H]1C ZINC001128632597 776202327 /nfs/dbraw/zinc/20/23/27/776202327.db2.gz IJMOJWOZJHKACF-QWRGUYRKSA-N 0 3 298.387 -1.009 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCNCC(N)=O ZINC001128633085 776202372 /nfs/dbraw/zinc/20/23/72/776202372.db2.gz LWWBGPKOIXOEBA-RKDXNWHRSA-N 0 3 270.333 -1.660 20 0 CAADHN CC(C)N1C[C@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001128640080 776202495 /nfs/dbraw/zinc/20/24/95/776202495.db2.gz OIBIMIASHCYNEC-SECBINFHSA-N 0 3 270.333 -1.566 20 0 CAADHN CN(CC(=O)NCCN[C@@H]1CCN(C)C1=O)C(=O)C1CC1 ZINC001128623953 776202518 /nfs/dbraw/zinc/20/25/18/776202518.db2.gz HVKMNZOCZQROLY-LLVKDONJSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(C)N1C[C@@H](C(=O)NCCN[C@H](C)C(N)=O)CC1=O ZINC001128637566 776202565 /nfs/dbraw/zinc/20/25/65/776202565.db2.gz ANNJNEIIJDBPIC-ZJUUUORDSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCNCC(=O)N(C)C ZINC001128632295 776202747 /nfs/dbraw/zinc/20/27/47/776202747.db2.gz HZCYPTFXPOJIOA-MNOVXSKESA-N 0 3 298.387 -1.057 20 0 CAADHN CCN1C[C@H](C(=O)NCCN[C@@H](C)C(=O)NC)CC1=O ZINC001128650840 776203343 /nfs/dbraw/zinc/20/33/43/776203343.db2.gz PPJBHERCMBMRKX-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN1C[C@@H](C(=O)NCCN[C@H]2CCNC2=O)CC1=O ZINC001128650205 776203355 /nfs/dbraw/zinc/20/33/55/776203355.db2.gz KLYPOPWBSOOUAS-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001128664500 776203518 /nfs/dbraw/zinc/20/35/18/776203518.db2.gz DKBLOMQESXOJNI-RKDXNWHRSA-N 0 3 296.327 -2.024 20 0 CAADHN CCN1C[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)CC1=O ZINC001128651305 776203625 /nfs/dbraw/zinc/20/36/25/776203625.db2.gz TXPVXHJENYJABB-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC1=O ZINC001128664498 776203741 /nfs/dbraw/zinc/20/37/41/776203741.db2.gz DKBLOMQESXOJNI-DTWKUNHWSA-N 0 3 296.327 -2.024 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)N2CCC2)CC1=O ZINC001128665236 776203845 /nfs/dbraw/zinc/20/38/45/776203845.db2.gz LNONVGSLXPDULL-JTQLQIEISA-N 0 3 282.344 -1.597 20 0 CAADHN CCN1C[C@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001128649982 776204030 /nfs/dbraw/zinc/20/40/30/776204030.db2.gz HYSHTIDYSGMDET-MRVPVSSYSA-N 0 3 256.306 -1.954 20 0 CAADHN CCN1C[C@H](C(=O)NCCNCC(=O)NC(N)=O)CC1=O ZINC001128650210 776204223 /nfs/dbraw/zinc/20/42/23/776204223.db2.gz KMLKINHMCUNNET-MRVPVSSYSA-N 0 3 299.331 -2.245 20 0 CAADHN CCN1C[C@H](C(=O)NCCN[C@H]2CCNC2=O)CC1=O ZINC001128650207 776204230 /nfs/dbraw/zinc/20/42/30/776204230.db2.gz KLYPOPWBSOOUAS-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128673013 776205114 /nfs/dbraw/zinc/20/51/14/776205114.db2.gz KDEDRNAWUBUOJM-NSHDSACASA-N 0 3 298.387 -1.057 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)NCC2CC2)CC1=O ZINC001128665444 776205335 /nfs/dbraw/zinc/20/53/35/776205335.db2.gz OMTHKLXAAVRRFK-LLVKDONJSA-N 0 3 296.371 -1.303 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128665345 776205442 /nfs/dbraw/zinc/20/54/42/776205442.db2.gz OITAUGAWYBBKFW-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CC(=O)N(C)C1)C(N)=O ZINC001128665890 776205637 /nfs/dbraw/zinc/20/56/37/776205637.db2.gz VWGKSONSTBNUHZ-HTQZYQBOSA-N 0 3 256.306 -1.956 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)N(C)C ZINC001128671674 776205664 /nfs/dbraw/zinc/20/56/64/776205664.db2.gz COQZGIPGBCHVOF-UWVGGRQHSA-N 0 3 284.360 -1.353 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)CC1=O ZINC001128665469 776205703 /nfs/dbraw/zinc/20/57/03/776205703.db2.gz OWISMOPEQINTBL-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCNC(=O)COC ZINC001128692189 776206469 /nfs/dbraw/zinc/20/64/69/776206469.db2.gz WDVRKAFGBNERSC-VIFPVBQESA-N 0 3 288.348 -2.021 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128671658 776206547 /nfs/dbraw/zinc/20/65/47/776206547.db2.gz CIGNGJDHNBSDSG-DTWKUNHWSA-N 0 3 270.333 -1.695 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128671660 776206680 /nfs/dbraw/zinc/20/66/80/776206680.db2.gz CIGNGJDHNBSDSG-RKDXNWHRSA-N 0 3 270.333 -1.695 20 0 CAADHN CCN1C[C@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)CC1=O ZINC001128679877 776206799 /nfs/dbraw/zinc/20/67/99/776206799.db2.gz LZQOAWJZDJJXDD-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(C)CN1C[C@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001128680484 776207184 /nfs/dbraw/zinc/20/71/84/776207184.db2.gz UCRWDGHGWPORJR-SNVBAGLBSA-N 0 3 284.360 -1.318 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001128679858 776207260 /nfs/dbraw/zinc/20/72/60/776207260.db2.gz LQKXUXBRYVBJHZ-NSHDSACASA-N 0 3 298.387 -1.057 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCNC(=O)COC ZINC001128685771 776207341 /nfs/dbraw/zinc/20/73/41/776207341.db2.gz FASQHQJHKDVPEK-UHFFFAOYSA-N 0 3 288.348 -2.019 20 0 CAADHN CCN1C[C@@H](C(=O)NCCN[C@H]2CCN(C)C2=O)CC1=O ZINC001128679879 776207585 /nfs/dbraw/zinc/20/75/85/776207585.db2.gz LZQOAWJZDJJXDD-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CNCCNC(=O)CCNC(=O)COC ZINC001128685866 776207668 /nfs/dbraw/zinc/20/76/68/776207668.db2.gz HRKLTMHXZRBQCT-UHFFFAOYSA-N 0 3 274.321 -2.409 20 0 CAADHN COCC(=O)NCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001128686057 776207879 /nfs/dbraw/zinc/20/78/79/776207879.db2.gz LKJMBIDKFMYSFQ-SECBINFHSA-N 0 3 286.332 -2.267 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001128721049 776208456 /nfs/dbraw/zinc/20/84/56/776208456.db2.gz VXVGPQATGAOSRZ-IUCAKERBSA-N 0 3 298.343 -1.636 20 0 CAADHN NC(=O)CNCCNC(=O)CCn1ccccc1=O ZINC001128715753 776208842 /nfs/dbraw/zinc/20/88/42/776208842.db2.gz LKFAGPMALGEJCR-UHFFFAOYSA-N 0 3 266.301 -1.571 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)N1C(=O)CCC1=O)C(N)=O ZINC001128720755 776209104 /nfs/dbraw/zinc/20/91/04/776209104.db2.gz SVKBZGJNOZSBIN-HTQZYQBOSA-N 0 3 284.316 -1.897 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)N(C)C)N1C(=O)CCC1=O ZINC001128721067 776209166 /nfs/dbraw/zinc/20/91/66/776209166.db2.gz WDNLMFGTAHYJLO-SECBINFHSA-N 0 3 298.343 -1.682 20 0 CAADHN CNC(=O)CNCCNC(=O)CCCNC(=O)C1CC1 ZINC001128696441 776209200 /nfs/dbraw/zinc/20/92/00/776209200.db2.gz LWEROAQBTAFAOR-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1ccccc1=O)C(N)=O ZINC001128716003 776209358 /nfs/dbraw/zinc/20/93/58/776209358.db2.gz QNVRTLLSCVRTCI-SNVBAGLBSA-N 0 3 280.328 -1.182 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H](C)N1C(=O)CCC1=O)C(N)=O ZINC001128720403 776209409 /nfs/dbraw/zinc/20/94/09/776209409.db2.gz LXVZZHQKNDHPGL-RKDXNWHRSA-N 0 3 298.343 -1.506 20 0 CAADHN C[C@@H](C(=O)NCCN[C@@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001128728190 776209946 /nfs/dbraw/zinc/20/99/46/776209946.db2.gz MTDCSIRGSMMTKU-DTWKUNHWSA-N 0 3 296.327 -1.882 20 0 CAADHN Nc1nccnc1C(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090142121 776209994 /nfs/dbraw/zinc/20/99/94/776209994.db2.gz SUJMZSKOOODRFJ-VHSXEESVSA-N 0 3 295.343 -1.394 20 0 CAADHN CN1CC[C@H](NC[C@@H]2CCCN2C(=O)CC(N)=O)C1=O ZINC001044967899 776210911 /nfs/dbraw/zinc/21/09/11/776210911.db2.gz VAZYCXLALCDUHU-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858412 776211751 /nfs/dbraw/zinc/21/17/51/776211751.db2.gz BIXYZJKGRFMHQA-ZJUUUORDSA-N 0 3 283.328 -1.391 20 0 CAADHN C[C@H](NCCNC(=O)CCCN1C(=O)CCC1=O)C(N)=O ZINC001128758249 776212474 /nfs/dbraw/zinc/21/24/74/776212474.db2.gz IYEKNRKTLORYKT-VIFPVBQESA-N 0 3 298.343 -1.505 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1ccc(=O)n(C)c1=O)C(N)=O ZINC001128763690 776212807 /nfs/dbraw/zinc/21/28/07/776212807.db2.gz HJODGGSHOALCJE-MRVPVSSYSA-N 0 3 297.315 -2.873 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)NC1CC1 ZINC001128789095 776213856 /nfs/dbraw/zinc/21/38/56/776213856.db2.gz FBFAQLXBVBROJC-UHFFFAOYSA-N 0 3 271.321 -2.100 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001128788958 776214111 /nfs/dbraw/zinc/21/41/11/776214111.db2.gz BOEVTIJCLYYIOP-UHFFFAOYSA-N 0 3 299.375 -1.463 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001128788980 776214308 /nfs/dbraw/zinc/21/43/08/776214308.db2.gz BYBFAEZWFKOHQH-SSDOTTSWSA-N 0 3 285.304 -2.574 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)NC(N)=O ZINC001128788904 776214734 /nfs/dbraw/zinc/21/47/34/776214734.db2.gz AZTISYHCKOFQAQ-UHFFFAOYSA-N 0 3 274.281 -3.184 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CNC(=O)NC ZINC001128790070 776215549 /nfs/dbraw/zinc/21/55/49/776215549.db2.gz OYWCVCRZRZNFJN-UHFFFAOYSA-N 0 3 273.337 -1.853 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)CNC(=O)NC ZINC001128790144 776215828 /nfs/dbraw/zinc/21/58/28/776215828.db2.gz QQHSUSOMMIOIJR-UHFFFAOYSA-N 0 3 287.364 -1.463 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@H]1CCN(C(C)C)C1=O ZINC001128795074 776215859 /nfs/dbraw/zinc/21/58/59/776215859.db2.gz IREKILLNEVZRMF-JTQLQIEISA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)NCC(=O)NCCNCc1cnn(C)c1 ZINC001128790132 776215869 /nfs/dbraw/zinc/21/58/69/776215869.db2.gz QJDARJLYCJDGMF-UHFFFAOYSA-N 0 3 268.321 -1.445 20 0 CAADHN CCCC[C@@H](NCCNC(=O)CNC(=O)NC)C(N)=O ZINC001128794850 776215922 /nfs/dbraw/zinc/21/59/22/776215922.db2.gz BXXMJFFOGWDGJQ-SECBINFHSA-N 0 3 287.364 -1.335 20 0 CAADHN CNC(=O)NCC(=O)NCCNCc1ccnn1C ZINC001128790237 776216015 /nfs/dbraw/zinc/21/60/15/776216015.db2.gz SNIFLMQVKDUDQM-UHFFFAOYSA-N 0 3 268.321 -1.445 20 0 CAADHN CCCC[C@H](NCCNC(=O)CNC(=O)NC)C(N)=O ZINC001128794851 776216180 /nfs/dbraw/zinc/21/61/80/776216180.db2.gz BXXMJFFOGWDGJQ-VIFPVBQESA-N 0 3 287.364 -1.335 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001128789831 776216725 /nfs/dbraw/zinc/21/67/25/776216725.db2.gz MNPVGSUZCKIWJV-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCCS1(=O)=O)C(N)=O ZINC001128814697 776217066 /nfs/dbraw/zinc/21/70/66/776217066.db2.gz ULBSNAZKIAGKII-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN NC(=O)CNCCNC(=O)CN1CCCS1(=O)=O ZINC001128813763 776217405 /nfs/dbraw/zinc/21/74/05/776217405.db2.gz FASCGSKAKKOBAV-UHFFFAOYSA-N 0 3 278.334 -2.787 20 0 CAADHN COCCOc1ccc(C(=O)NCCNCC(N)=O)cn1 ZINC001128810669 776217536 /nfs/dbraw/zinc/21/75/36/776217536.db2.gz RNXSTORHZUCBAH-UHFFFAOYSA-N 0 3 296.327 -1.089 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CNC(=O)NC)C1=O ZINC001128795782 776217666 /nfs/dbraw/zinc/21/76/66/776217666.db2.gz UXXKGZDVJWUZDC-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)N[C@@H](C)C1CC1 ZINC001128795552 776217791 /nfs/dbraw/zinc/21/77/91/776217791.db2.gz PREVGVSPRWYUTR-VIFPVBQESA-N 0 3 299.375 -1.464 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001128795796 776217951 /nfs/dbraw/zinc/21/79/51/776217951.db2.gz VDPDRIFICOUISY-MRVPVSSYSA-N 0 3 271.321 -2.148 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001128799765 776218048 /nfs/dbraw/zinc/21/80/48/776218048.db2.gz IAZBJVPJWQZNKV-ZCFIWIBFSA-N 0 3 288.308 -2.795 20 0 CAADHN NC(=O)CNCCNC(=O)CN1CCCCCCC1=O ZINC001128827563 776218274 /nfs/dbraw/zinc/21/82/74/776218274.db2.gz BDADXQIOTKGWDR-UHFFFAOYSA-N 0 3 284.360 -1.030 20 0 CAADHN Cc1cc(CC(=O)N[C@H]2CCN(CCO)C[C@H]2O)n[nH]1 ZINC001090182659 776218400 /nfs/dbraw/zinc/21/84/00/776218400.db2.gz NJWZKASEFGUWQF-NWDGAFQWSA-N 0 3 282.344 -1.196 20 0 CAADHN Cc1cc(CC(=O)N[C@H]2CCN(CCO)C[C@H]2O)[nH]n1 ZINC001090182659 776218406 /nfs/dbraw/zinc/21/84/06/776218406.db2.gz NJWZKASEFGUWQF-NWDGAFQWSA-N 0 3 282.344 -1.196 20 0 CAADHN Cn1cnc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)c1 ZINC001090196962 776220448 /nfs/dbraw/zinc/22/04/48/776220448.db2.gz IDHZUPHLHQKMEQ-JQWIXIFHSA-N 0 3 282.344 -1.033 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090197474 776220653 /nfs/dbraw/zinc/22/06/53/776220653.db2.gz NAOWRFRBSHZELC-VHSXEESVSA-N 0 3 299.331 -2.083 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1ccc2n[nH]nc2n1 ZINC001128880447 776220990 /nfs/dbraw/zinc/22/09/90/776220990.db2.gz UOHFIYWUPNWXHE-QMMMGPOBSA-N 0 3 289.299 -1.439 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc2n[nH]nc2n1 ZINC001128874710 776221085 /nfs/dbraw/zinc/22/10/85/776221085.db2.gz GECYHHHNDOWGRS-UHFFFAOYSA-N 0 3 277.288 -1.582 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc2n[nH]nc2n1)C(N)=O ZINC001128879770 776221153 /nfs/dbraw/zinc/22/11/53/776221153.db2.gz LWOIJTLKXOOHSV-ZCFIWIBFSA-N 0 3 277.288 -1.454 20 0 CAADHN CCCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](n2ccnn2)C1 ZINC001128869236 776221519 /nfs/dbraw/zinc/22/15/19/776221519.db2.gz IRHSGNMEQGFTKT-ZJUUUORDSA-N 0 3 280.332 -1.095 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090197475 776221543 /nfs/dbraw/zinc/22/15/43/776221543.db2.gz NAOWRFRBSHZELC-ZJUUUORDSA-N 0 3 299.331 -2.083 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)c1 ZINC001090196963 776221699 /nfs/dbraw/zinc/22/16/99/776221699.db2.gz IDHZUPHLHQKMEQ-PWSUYJOCSA-N 0 3 282.344 -1.033 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)n1 ZINC001083860514 776222766 /nfs/dbraw/zinc/22/27/66/776222766.db2.gz UZCIBIPQYZKITE-WCQGTBRESA-N 0 3 295.343 -1.374 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccc2n[nH]nc2n1)C(N)=O ZINC001128885718 776223005 /nfs/dbraw/zinc/22/30/05/776223005.db2.gz UMWXCWIQEHOSKA-SSDOTTSWSA-N 0 3 291.315 -1.064 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccc2n[nH]nc2n1)C(N)=O ZINC001128885719 776223746 /nfs/dbraw/zinc/22/37/46/776223746.db2.gz UMWXCWIQEHOSKA-ZETCQYMHSA-N 0 3 291.315 -1.064 20 0 CAADHN CC(=O)Nc1ccc(C(=O)NCCNCC(N)=O)nc1 ZINC001128927445 776224564 /nfs/dbraw/zinc/22/45/64/776224564.db2.gz RNGIMXPUMYZUSO-UHFFFAOYSA-N 0 3 279.300 -1.155 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnc(C)nc1OC ZINC001128915023 776224958 /nfs/dbraw/zinc/22/49/58/776224958.db2.gz PRFLCEGYXQATHB-UHFFFAOYSA-N 0 3 281.316 -1.141 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnn2c1CCC2 ZINC001128923024 776225200 /nfs/dbraw/zinc/22/52/00/776225200.db2.gz OFMZRRSPHBDVPR-UHFFFAOYSA-N 0 3 251.290 -1.366 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001090205046 776225483 /nfs/dbraw/zinc/22/54/83/776225483.db2.gz ZEQDXOAEUGZNGI-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cnn2c1CCC2 ZINC001128923113 776225319 /nfs/dbraw/zinc/22/53/19/776225319.db2.gz SXPHYYLEDVDUHO-UHFFFAOYSA-N 0 3 294.315 -1.656 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001090205044 776225409 /nfs/dbraw/zinc/22/54/09/776225409.db2.gz ZEQDXOAEUGZNGI-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn2c1CCC2 ZINC001128923084 776225791 /nfs/dbraw/zinc/22/57/91/776225791.db2.gz ROWTUWGJLBVLCL-UHFFFAOYSA-N 0 3 265.317 -1.105 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)c1N ZINC001090216481 776226794 /nfs/dbraw/zinc/22/67/94/776226794.db2.gz NDLAHHIEKPJNBV-GHMZBOCLSA-N 0 3 297.359 -1.450 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@H](O)C1 ZINC001090219675 776226872 /nfs/dbraw/zinc/22/68/72/776226872.db2.gz VCTDRFGYCSGIRU-CHWSQXEVSA-N 0 3 299.371 -1.338 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001090219676 776227397 /nfs/dbraw/zinc/22/73/97/776227397.db2.gz VCTDRFGYCSGIRU-OLZOCXBDSA-N 0 3 299.371 -1.338 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)c1N ZINC001090216482 776227508 /nfs/dbraw/zinc/22/75/08/776227508.db2.gz NDLAHHIEKPJNBV-MNOVXSKESA-N 0 3 297.359 -1.450 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1(F)CCOCC1 ZINC001128980869 776228472 /nfs/dbraw/zinc/22/84/72/776228472.db2.gz HNDATMBCOYNPHG-UHFFFAOYSA-N 0 3 290.295 -1.594 20 0 CAADHN COCCN1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001090223893 776228660 /nfs/dbraw/zinc/22/86/60/776228660.db2.gz AVOWSHDELPMVFS-UWVGGRQHSA-N 0 3 299.327 -1.210 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)C1 ZINC001090223936 776229038 /nfs/dbraw/zinc/22/90/38/776229038.db2.gz BHBKLRDSLAAPDX-QWHCGFSZSA-N 0 3 299.371 -1.602 20 0 CAADHN COCCN1CC[C@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC001090223895 776229162 /nfs/dbraw/zinc/22/91/62/776229162.db2.gz AVOWSHDELPMVFS-VHSXEESVSA-N 0 3 299.327 -1.210 20 0 CAADHN COCCN1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@@H](O)C1 ZINC001090223896 776229413 /nfs/dbraw/zinc/22/94/13/776229413.db2.gz AVOWSHDELPMVFS-ZJUUUORDSA-N 0 3 299.327 -1.210 20 0 CAADHN COCCN1CC[C@@H](NC(=O)c2cc(=O)n(C)o2)[C@H](O)C1 ZINC001090223890 776229575 /nfs/dbraw/zinc/22/95/75/776229575.db2.gz AVOWSHDELPMVFS-NXEZZACHSA-N 0 3 299.327 -1.210 20 0 CAADHN CNC(=O)CNCCNC(=O)C1(F)CCOCC1 ZINC001128977588 776229606 /nfs/dbraw/zinc/22/96/06/776229606.db2.gz QALUZQAOTGXHEC-UHFFFAOYSA-N 0 3 261.297 -1.043 20 0 CAADHN Cn1oc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)cc1=O ZINC001090224963 776230512 /nfs/dbraw/zinc/23/05/12/776230512.db2.gz JFVDAEGCRIZOJT-ZJUUUORDSA-N 0 3 299.327 -1.474 20 0 CAADHN Cn1cnc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090227080 776231490 /nfs/dbraw/zinc/23/14/90/776231490.db2.gz HDIDXRYUQJDFCN-UWVGGRQHSA-N 0 3 283.332 -1.638 20 0 CAADHN CCn1ncc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090232436 776231808 /nfs/dbraw/zinc/23/18/08/776231808.db2.gz VYKBUJRHJQOXCP-ZYHUDNBSSA-N 0 3 297.359 -1.155 20 0 CAADHN Cn1nccc1CC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090231488 776232511 /nfs/dbraw/zinc/23/25/11/776232511.db2.gz OZZQOEZRVTUTLU-STQMWFEESA-N 0 3 296.371 -1.104 20 0 CAADHN CCn1ncc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090232433 776232867 /nfs/dbraw/zinc/23/28/67/776232867.db2.gz VYKBUJRHJQOXCP-CMPLNLGQSA-N 0 3 297.359 -1.155 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)nn1 ZINC001090239058 776233938 /nfs/dbraw/zinc/23/39/38/776233938.db2.gz BAKGFUCUYXUFSZ-KOLCDFICSA-N 0 3 283.332 -1.638 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)c1ncc[nH]1 ZINC001090235226 776234271 /nfs/dbraw/zinc/23/42/71/776234271.db2.gz CUWQVGKDQVSLHF-UWVGGRQHSA-N 0 3 268.317 -1.043 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)c1ncc[nH]1 ZINC001090235228 776234352 /nfs/dbraw/zinc/23/43/52/776234352.db2.gz CUWQVGKDQVSLHF-ZJUUUORDSA-N 0 3 268.317 -1.043 20 0 CAADHN Cn1nncc1C(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090238393 776234911 /nfs/dbraw/zinc/23/49/11/776234911.db2.gz YAJAQDYBVVYYEN-GXSJLCMTSA-N 0 3 283.332 -1.638 20 0 CAADHN CCn1nncc1C(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090249551 776236764 /nfs/dbraw/zinc/23/67/64/776236764.db2.gz PSOCEGMCGAOMKJ-CMPLNLGQSA-N 0 3 297.359 -1.155 20 0 CAADHN Cc1nnc(CC(=O)N[C@@H]2CCN(CCO)C[C@H]2O)[nH]1 ZINC001090255733 776237540 /nfs/dbraw/zinc/23/75/40/776237540.db2.gz HDLADAKWUOKXKL-NXEZZACHSA-N 0 3 283.332 -1.801 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001090257513 776237570 /nfs/dbraw/zinc/23/75/70/776237570.db2.gz IRKUWEHKKGCXED-MNOVXSKESA-N 0 3 297.359 -1.147 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001090257514 776238036 /nfs/dbraw/zinc/23/80/36/776238036.db2.gz IRKUWEHKKGCXED-QWRGUYRKSA-N 0 3 297.359 -1.147 20 0 CAADHN Cc1nnc(CC(=O)N[C@H]2CCN(CCO)C[C@H]2O)[nH]1 ZINC001090255753 776238549 /nfs/dbraw/zinc/23/85/49/776238549.db2.gz HDLADAKWUOKXKL-VHSXEESVSA-N 0 3 283.332 -1.801 20 0 CAADHN CNC(=O)CNCCNC(=O)CCCn1ccnn1 ZINC001129168937 776244446 /nfs/dbraw/zinc/24/44/46/776244446.db2.gz MZKJYKHEXLHVIL-UHFFFAOYSA-N 0 3 268.321 -1.490 20 0 CAADHN O=C(CCCn1ccnn1)NCCNCC(=O)N1CCC1 ZINC001129168565 776244732 /nfs/dbraw/zinc/24/47/32/776244732.db2.gz IPXFPRHZAVYKGF-UHFFFAOYSA-N 0 3 294.359 -1.004 20 0 CAADHN COC[C@H](C)[C@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001129138421 776244758 /nfs/dbraw/zinc/24/47/58/776244758.db2.gz SQMSTWHZOPKREP-IUCAKERBSA-N 0 3 288.348 -1.194 20 0 CAADHN COC[C@H](C)[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001129138420 776244786 /nfs/dbraw/zinc/24/47/86/776244786.db2.gz SQMSTWHZOPKREP-DTWKUNHWSA-N 0 3 288.348 -1.194 20 0 CAADHN COC[C@@H](C)[C@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001129138419 776245113 /nfs/dbraw/zinc/24/51/13/776245113.db2.gz SQMSTWHZOPKREP-BDAKNGLRSA-N 0 3 288.348 -1.194 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCCn1ccnn1 ZINC001129172352 776245673 /nfs/dbraw/zinc/24/56/73/776245673.db2.gz LVHPPXXGJXFZOW-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN CO[C@@H]1COCC[C@@H]1CC(=O)NCCNCC(N)=O ZINC001129212843 776245774 /nfs/dbraw/zinc/24/57/74/776245774.db2.gz IPETWSMDWGSTQE-NXEZZACHSA-N 0 3 273.333 -1.381 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCc2ncncc2C1 ZINC001129218421 776245959 /nfs/dbraw/zinc/24/59/59/776245959.db2.gz JYHQUSDNZIYLSO-SECBINFHSA-N 0 3 277.328 -1.227 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CCCn2ccnn2)C1=O ZINC001129176315 776245997 /nfs/dbraw/zinc/24/59/97/776245997.db2.gz PMNZXIRFUMNLOL-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CCCn2ccnn2)C1=O ZINC001129176317 776246373 /nfs/dbraw/zinc/24/63/73/776246373.db2.gz PMNZXIRFUMNLOL-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@H]2CCC(=O)NC2)C1=O ZINC001129254842 776247237 /nfs/dbraw/zinc/24/72/37/776247237.db2.gz BTDLYLXFTXFQFH-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN NCc1nc(=O)[n-]n1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001168761306 776247251 /nfs/dbraw/zinc/24/72/51/776247251.db2.gz PHYJUWAQOLLSLD-QMMMGPOBSA-N 0 3 277.288 -1.038 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc2c([nH]1)CCOC2 ZINC001129234794 776247306 /nfs/dbraw/zinc/24/73/06/776247306.db2.gz CIYUWTHHHFDGFL-UHFFFAOYSA-N 0 3 266.301 -1.108 20 0 CAADHN O=C(C[C@@H]1CCC(=O)NC1)NCCN[C@@H]1CCCNC1=O ZINC001129256422 776247453 /nfs/dbraw/zinc/24/74/53/776247453.db2.gz QEXZDSKZLLNBEP-WDEREUQCSA-N 0 3 296.371 -1.113 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@H]1CCC(=O)NC1)C(N)=O ZINC001129257018 776247520 /nfs/dbraw/zinc/24/75/20/776247520.db2.gz XUEZBKAOYHZGIK-NXEZZACHSA-N 0 3 284.360 -1.128 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1ccnc2ccnn21 ZINC001129243722 776247536 /nfs/dbraw/zinc/24/75/36/776247536.db2.gz JLTOIXUFSXWJAA-VIFPVBQESA-N 0 3 288.311 -1.063 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccnc2ccnn21 ZINC001129240711 776248027 /nfs/dbraw/zinc/24/80/27/776248027.db2.gz WMGDNZYKMHKRHR-UHFFFAOYSA-N 0 3 276.300 -1.205 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001129255139 776248341 /nfs/dbraw/zinc/24/83/41/776248341.db2.gz GEYLTZDYJFWRFX-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN NCc1nc(=O)[n-]n1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001168761303 776248414 /nfs/dbraw/zinc/24/84/14/776248414.db2.gz PHYJUWAQOLLSLD-MRVPVSSYSA-N 0 3 277.288 -1.038 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001129255615 776248471 /nfs/dbraw/zinc/24/84/71/776248471.db2.gz KBESVYQCGZZXMF-QMMMGPOBSA-N 0 3 299.331 -2.197 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@@H]1CCC(=O)NC1)C(N)=O ZINC001129257020 776248488 /nfs/dbraw/zinc/24/84/88/776248488.db2.gz XUEZBKAOYHZGIK-VHSXEESVSA-N 0 3 284.360 -1.128 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129262380 776249090 /nfs/dbraw/zinc/24/90/90/776249090.db2.gz OYOAHMJKJUYYFW-SNVBAGLBSA-N 0 3 284.360 -1.255 20 0 CAADHN O=C(C[C@H]1CCC(=O)NC1)NCCN[C@H]1CCNC1=O ZINC001129257096 776249218 /nfs/dbraw/zinc/24/92/18/776249218.db2.gz ZOSLPTQMUHRKLB-ZJUUUORDSA-N 0 3 282.344 -1.503 20 0 CAADHN O=C(CNCCNC(=O)C[C@H]1CCC(=O)NC1)NC1CC1 ZINC001129262442 776249954 /nfs/dbraw/zinc/24/99/54/776249954.db2.gz PSGUGTJHRKTCRN-SNVBAGLBSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC000823625360 776253790 /nfs/dbraw/zinc/25/37/90/776253790.db2.gz RHDSYNWPPIXNHK-LLVKDONJSA-N 0 3 259.350 -1.301 20 0 CAADHN CN(C)C(=O)CN1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 ZINC001036673293 776254013 /nfs/dbraw/zinc/25/40/13/776254013.db2.gz NSACRQKFYLFACT-QWRGUYRKSA-N 0 3 296.371 -1.127 20 0 CAADHN CO[C@@H](C)CN1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001083873584 776255499 /nfs/dbraw/zinc/25/54/99/776255499.db2.gz GTTHGJXSVIHMRU-YIZRAAEISA-N 0 3 269.305 -1.386 20 0 CAADHN O=C(N[C@@H]1CN(CCCF)C[C@@H]1O)c1nnc[nH]1 ZINC001083873588 776255573 /nfs/dbraw/zinc/25/55/73/776255573.db2.gz GZRGJNZMVOYHMS-SFYZADRCSA-N 0 3 257.269 -1.061 20 0 CAADHN Cn1ccc(CC(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090263827 776255964 /nfs/dbraw/zinc/25/59/64/776255964.db2.gz XYLZKIJNQMOFFW-STQMWFEESA-N 0 3 296.371 -1.104 20 0 CAADHN O=C(Cn1ncnn1)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001090267715 776257582 /nfs/dbraw/zinc/25/75/82/776257582.db2.gz CORUTAXHHNSTHF-UWVGGRQHSA-N 0 3 286.311 -1.416 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268746 776259067 /nfs/dbraw/zinc/25/90/67/776259067.db2.gz ONLHXOBTEUNOJG-UWVGGRQHSA-N 0 3 284.320 -2.129 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268747 776259772 /nfs/dbraw/zinc/25/97/72/776259772.db2.gz ONLHXOBTEUNOJG-VHSXEESVSA-N 0 3 284.320 -2.129 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268345 776259953 /nfs/dbraw/zinc/25/99/53/776259953.db2.gz JTPNDQUNBLXOIA-BDAKNGLRSA-N 0 3 254.294 -1.756 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099690419 776265848 /nfs/dbraw/zinc/26/58/48/776265848.db2.gz OOHVJBJZFOEZJY-NEPJUHHUSA-N 0 3 287.360 -1.602 20 0 CAADHN CCn1nnc(C)c1C(=O)NCCN[C@H]1CCNC1=O ZINC001129290554 776270062 /nfs/dbraw/zinc/27/00/62/776270062.db2.gz ARTXMOUNIPBWNE-VIFPVBQESA-N 0 3 280.332 -1.186 20 0 CAADHN O=C(CNCCNC(=O)C[C@H]1CCNC1=O)NCC1CC1 ZINC001129290611 776270126 /nfs/dbraw/zinc/27/01/26/776270126.db2.gz CGUHTNZSJZWQHD-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NCCN[C@@H]1CCCNC1=O ZINC001129296482 776271876 /nfs/dbraw/zinc/27/18/76/776271876.db2.gz ASKZYWHENHTVGB-NXEZZACHSA-N 0 3 282.344 -1.503 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCNC1=O ZINC001129296704 776273733 /nfs/dbraw/zinc/27/37/33/776273733.db2.gz DNQXFODRMWUURA-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NCCN[C@H]1CCNC1=O ZINC001129296817 776274214 /nfs/dbraw/zinc/27/42/14/776274214.db2.gz HAIGTYXHFJOWES-BDAKNGLRSA-N 0 3 268.317 -1.893 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)C[C@H]1CCNC1=O ZINC001129297465 776274255 /nfs/dbraw/zinc/27/42/55/776274255.db2.gz MIJNKNVZXXPWFF-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCNC1=O ZINC001129296703 776274323 /nfs/dbraw/zinc/27/43/23/776274323.db2.gz DNQXFODRMWUURA-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)C[C@H]2CCNC2=O)C1=O ZINC001129296650 776274375 /nfs/dbraw/zinc/27/43/75/776274375.db2.gz CZVBAWPPLMQWQK-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)C[C@H]2CCNC2=O)C1=O ZINC001129297845 776274499 /nfs/dbraw/zinc/27/44/99/776274499.db2.gz PFRVLSCLGDLIHI-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001129297471 776274566 /nfs/dbraw/zinc/27/45/66/776274566.db2.gz MJDZJQJVBGIION-RKDXNWHRSA-N 0 3 296.327 -1.976 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)C[C@@H]2CCNC2=O)C1=O ZINC001129296652 776274574 /nfs/dbraw/zinc/27/45/74/776274574.db2.gz CZVBAWPPLMQWQK-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)C[C@@H]2CCNC2=O)C1=O ZINC001129297847 776274909 /nfs/dbraw/zinc/27/49/09/776274909.db2.gz PFRVLSCLGDLIHI-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCNC1=O ZINC001129298513 776275924 /nfs/dbraw/zinc/27/59/24/776275924.db2.gz VOCCZTPCTXPFGW-MRVPVSSYSA-N 0 3 299.331 -2.326 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCNC1=O ZINC001129298530 776276262 /nfs/dbraw/zinc/27/62/62/776276262.db2.gz VTIONVRSYFEOJO-SSDOTTSWSA-N 0 3 285.304 -2.587 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCNC1=O)C(=O)N(C)C ZINC001129302731 776276426 /nfs/dbraw/zinc/27/64/26/776276426.db2.gz GUKNECBRPLVAMF-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CN(C)[C@H](C(=O)NCC1(NC(=O)C(N)=O)CCC1)C1CC1 ZINC001063364715 776276464 /nfs/dbraw/zinc/27/64/64/776276464.db2.gz DAWQGAKJSUTEGA-JTQLQIEISA-N 0 3 296.371 -1.033 20 0 CAADHN CN(C)[C@@H](C(=O)NCC1(NC(=O)C(N)=O)CCC1)C1CC1 ZINC001063364716 776276487 /nfs/dbraw/zinc/27/64/87/776276487.db2.gz DAWQGAKJSUTEGA-SNVBAGLBSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCNC1=O ZINC001129298515 776276505 /nfs/dbraw/zinc/27/65/05/776276505.db2.gz VOCCZTPCTXPFGW-QMMMGPOBSA-N 0 3 299.331 -2.326 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@H]2CCNC2=O)C1=O ZINC001129303699 776276577 /nfs/dbraw/zinc/27/65/77/776276577.db2.gz LEBIRUGCPYMYPX-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@@H]1CCNC1=O)C(N)=O ZINC001129304028 776277085 /nfs/dbraw/zinc/27/70/85/776277085.db2.gz NEDHUMYBEMSIHI-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCNC1=O)C(=O)NC(N)=O ZINC001129302896 776277837 /nfs/dbraw/zinc/27/78/37/776277837.db2.gz IASPHGUNLKGHMO-JGVFFNPUSA-N 0 3 299.331 -2.198 20 0 CAADHN CC[C@H](C(=O)NC1(CNC(=O)C(N)=O)CCC1)N(C)C ZINC001064289805 776280268 /nfs/dbraw/zinc/28/02/68/776280268.db2.gz KUMMGZYVYIOPGC-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCCN(C)CC(=O)NC1(CNC(=O)C(N)=O)CCC1 ZINC001064290187 776281173 /nfs/dbraw/zinc/28/11/73/776281173.db2.gz UBPLVFSGFIXXBU-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2(CNC(=O)C(N)=O)CCC2)C1 ZINC001064293679 776281231 /nfs/dbraw/zinc/28/12/31/776281231.db2.gz RVLKIQVXVXUGOC-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCC[NH2+]1 ZINC001118260092 776282825 /nfs/dbraw/zinc/28/28/25/776282825.db2.gz BUHZBILDSQHSQO-RXMQYKEDSA-N 0 3 253.262 -1.048 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090297102 776285715 /nfs/dbraw/zinc/28/57/15/776285715.db2.gz GIBXLYSJDJCDOW-NXEZZACHSA-N 0 3 253.306 -1.151 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090297105 776285957 /nfs/dbraw/zinc/28/59/57/776285957.db2.gz GIBXLYSJDJCDOW-ZJUUUORDSA-N 0 3 253.306 -1.151 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298305 776286908 /nfs/dbraw/zinc/28/69/08/776286908.db2.gz OHYVVXOKXONMRB-GHMZBOCLSA-N 0 3 283.332 -1.524 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001090298309 776287349 /nfs/dbraw/zinc/28/73/49/776287349.db2.gz OHYVVXOKXONMRB-QWRGUYRKSA-N 0 3 283.332 -1.524 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001090337271 776293926 /nfs/dbraw/zinc/29/39/26/776293926.db2.gz PMOUIGNLQIBTCT-ONGXEEELSA-N 0 3 280.328 -1.035 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001090337270 776294297 /nfs/dbraw/zinc/29/42/97/776294297.db2.gz PMOUIGNLQIBTCT-MWLCHTKSSA-N 0 3 280.328 -1.035 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001090342979 776295652 /nfs/dbraw/zinc/29/56/52/776295652.db2.gz TWYPHHOVKSPRJJ-QWRGUYRKSA-N 0 3 296.327 -1.270 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001083924906 776295887 /nfs/dbraw/zinc/29/58/87/776295887.db2.gz FPSWHVIIQOVAGZ-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001083925162 776296260 /nfs/dbraw/zinc/29/62/60/776296260.db2.gz QXHZEWAYOOKMAN-ZJUUUORDSA-N 0 3 298.343 -1.502 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090345312 776296524 /nfs/dbraw/zinc/29/65/24/776296524.db2.gz VPQVIXXWUXBCAP-NXEZZACHSA-N 0 3 298.343 -1.029 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090345313 776296620 /nfs/dbraw/zinc/29/66/20/776296620.db2.gz VPQVIXXWUXBCAP-UWVGGRQHSA-N 0 3 298.343 -1.029 20 0 CAADHN NC(=O)[C@H]1CC[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001118318377 776302170 /nfs/dbraw/zinc/30/21/70/776302170.db2.gz JDWCZJGOWOIEHI-ZRUFSTJUSA-N 0 3 267.329 -1.225 20 0 CAADHN COCCN1C[C@@H](C)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001079395375 776303520 /nfs/dbraw/zinc/30/35/20/776303520.db2.gz DUFFFZJINYUNOP-NXEZZACHSA-N 0 3 268.321 -1.244 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001079528030 776305078 /nfs/dbraw/zinc/30/50/78/776305078.db2.gz QGZZVGLJWMYBGI-UTUOFQBUSA-N 0 3 271.361 -1.254 20 0 CAADHN CCN1CC[C@@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099707552 776318467 /nfs/dbraw/zinc/31/84/67/776318467.db2.gz UXECJJIONLVABE-RKDXNWHRSA-N 0 3 259.306 -1.086 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)Cn1cnnn1 ZINC001079397009 776305937 /nfs/dbraw/zinc/30/59/37/776305937.db2.gz PYZKTOMEEUOUKG-RKDXNWHRSA-N 0 3 254.294 -1.898 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001079440211 776306001 /nfs/dbraw/zinc/30/60/01/776306001.db2.gz BCGQKWQCLZBELB-GMTAPVOTSA-N 0 3 258.318 -1.169 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001079440212 776306434 /nfs/dbraw/zinc/30/64/34/776306434.db2.gz BCGQKWQCLZBELB-MXWKQRLJSA-N 0 3 258.318 -1.169 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001079597285 776310547 /nfs/dbraw/zinc/31/05/47/776310547.db2.gz KRMUEMGTLITSCH-IJLUTSLNSA-N 0 3 271.361 -1.254 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001079799160 776313820 /nfs/dbraw/zinc/31/38/20/776313820.db2.gz WLJHQGPFBSBSKU-GMTAPVOTSA-N 0 3 269.345 -1.107 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1cc(=O)n(C)cn1 ZINC001079881628 776314235 /nfs/dbraw/zinc/31/42/35/776314235.db2.gz MVOBPQLXIFYNHP-MWLCHTKSSA-N 0 3 280.328 -1.177 20 0 CAADHN O=C(CNC(=O)C1CC1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099705284 776314460 /nfs/dbraw/zinc/31/44/60/776314460.db2.gz XYAIOBDKIHBVAZ-RYUDHWBXSA-N 0 3 299.371 -1.554 20 0 CAADHN O=C(CNC(=O)C1CC1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099705282 776314491 /nfs/dbraw/zinc/31/44/91/776314491.db2.gz XYAIOBDKIHBVAZ-NEPJUHHUSA-N 0 3 299.371 -1.554 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001079877001 776314602 /nfs/dbraw/zinc/31/46/02/776314602.db2.gz HAYXPXWCLORHMU-HRDYMLBCSA-N 0 3 284.316 -1.987 20 0 CAADHN CCN(CC)CC(=O)N(CC)C1CN(C(=O)C(N)=O)C1 ZINC001079816344 776314623 /nfs/dbraw/zinc/31/46/23/776314623.db2.gz BACNBTLMUPZCMT-UHFFFAOYSA-N 0 3 284.360 -1.127 20 0 CAADHN CCN(C(=O)CN1CCCC1)C1CN(C(=O)C(N)=O)C1 ZINC001079807075 776314974 /nfs/dbraw/zinc/31/49/74/776314974.db2.gz JHGHDQYOGCURCK-UHFFFAOYSA-N 0 3 282.344 -1.373 20 0 CAADHN COCCN1C[C@@H](C)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001079997370 776315631 /nfs/dbraw/zinc/31/56/31/776315631.db2.gz KFFNOEFUDZHHOC-GHMZBOCLSA-N 0 3 297.359 -1.335 20 0 CAADHN CCN(C(=O)[C@H](C1CC1)N(C)C)C1CN(C(=O)C(N)=O)C1 ZINC001079945903 776315943 /nfs/dbraw/zinc/31/59/43/776315943.db2.gz YTYFOAJHUOCUKJ-NSHDSACASA-N 0 3 296.371 -1.129 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CCC(=O)NC1 ZINC001080017664 776316430 /nfs/dbraw/zinc/31/64/30/776316430.db2.gz RMNDESYUSLZJEP-OUAUKWLOSA-N 0 3 269.345 -1.059 20 0 CAADHN CC[C@@H](C(=O)N(CC)C1CN(C(=O)C(N)=O)C1)N(C)C ZINC001080147651 776319450 /nfs/dbraw/zinc/31/94/50/776319450.db2.gz HODMBKDQKHJCLF-JTQLQIEISA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001080258174 776321321 /nfs/dbraw/zinc/32/13/21/776321321.db2.gz SXEYSKREBDHFJT-GHMZBOCLSA-N 0 3 284.360 -2.153 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001080290345 776321364 /nfs/dbraw/zinc/32/13/64/776321364.db2.gz BLQLLKNSKIDWIN-OUAUKWLOSA-N 0 3 269.345 -1.107 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001080362841 776324352 /nfs/dbraw/zinc/32/43/52/776324352.db2.gz FGEKEBAAOBIQES-HRDYMLBCSA-N 0 3 256.306 -1.903 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)Cn2cccn2)C[C@H]1NC(=O)C(N)=O ZINC001080370755 776326319 /nfs/dbraw/zinc/32/63/19/776326319.db2.gz HFAMMYQUKMGMIY-GMTAPVOTSA-N 0 3 295.343 -1.834 20 0 CAADHN CC[C@H](C(=O)N1CC(N(CC)C(=O)C(N)=O)C1)N(C)C ZINC001080400758 776326671 /nfs/dbraw/zinc/32/66/71/776326671.db2.gz VXQMMPKTLHUTOP-SNVBAGLBSA-N 0 3 284.360 -1.129 20 0 CAADHN CCCN(C)CC(=O)N1CC(N(CC)C(=O)C(N)=O)C1 ZINC001080401853 776327068 /nfs/dbraw/zinc/32/70/68/776327068.db2.gz UPUAMEOBJJVTGZ-UHFFFAOYSA-N 0 3 284.360 -1.127 20 0 CAADHN CCN(C(=O)C(N)=O)C1CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001080404165 776328532 /nfs/dbraw/zinc/32/85/32/776328532.db2.gz WBSGVMSNHDVNLI-LLVKDONJSA-N 0 3 296.371 -1.129 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001080612793 776331538 /nfs/dbraw/zinc/33/15/38/776331538.db2.gz SOGODOUPSQTMSB-PSASIEDQSA-N 0 3 283.328 -1.532 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001080527094 776332483 /nfs/dbraw/zinc/33/24/83/776332483.db2.gz OJOOECMMJGAHES-HRDYMLBCSA-N 0 3 284.316 -1.987 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001080633654 776332511 /nfs/dbraw/zinc/33/25/11/776332511.db2.gz MKVPIQGWMLDZHR-RKDXNWHRSA-N 0 3 284.316 -2.033 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1CCC(=O)NC1=O ZINC001080733397 776334956 /nfs/dbraw/zinc/33/49/56/776334956.db2.gz QUOXDLKTEKUWML-NXEZZACHSA-N 0 3 298.343 -1.643 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080752367 776335009 /nfs/dbraw/zinc/33/50/09/776335009.db2.gz PJCYXYRCJHHIDF-OPRDCNLKSA-N 0 3 294.359 -1.082 20 0 CAADHN C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080750718 776335675 /nfs/dbraw/zinc/33/56/75/776335675.db2.gz MGUTVFOCHRRPAI-OPRDCNLKSA-N 0 3 292.343 -1.328 20 0 CAADHN Cc1nn(CC(=O)N[C@@H]2CN(CCO)C[C@H]2C)c(=O)n1C ZINC001080872962 776339718 /nfs/dbraw/zinc/33/97/18/776339718.db2.gz TTWFWEGDJPFVFF-MWLCHTKSSA-N 0 3 297.359 -1.681 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001080930736 776340765 /nfs/dbraw/zinc/34/07/65/776340765.db2.gz KOSVIDUNZZPVNV-PSASIEDQSA-N 0 3 296.327 -1.472 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001080960922 776341834 /nfs/dbraw/zinc/34/18/34/776341834.db2.gz MHAXDPHHKRWEKC-KXUCPTDWSA-N 0 3 291.373 -1.893 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](O)C1 ZINC001090369192 776343389 /nfs/dbraw/zinc/34/33/89/776343389.db2.gz VWLANUAOVTWZCC-VXGBXAGGSA-N 0 3 298.387 -1.668 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC001081063963 776343562 /nfs/dbraw/zinc/34/35/62/776343562.db2.gz VUDWBYYATCPIQW-KXUCPTDWSA-N 0 3 283.328 -1.532 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001081063964 776343791 /nfs/dbraw/zinc/34/37/91/776343791.db2.gz VUDWBYYATCPIQW-OPRDCNLKSA-N 0 3 283.328 -1.532 20 0 CAADHN CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081339555 776360397 /nfs/dbraw/zinc/36/03/97/776360397.db2.gz ZNPXAZUMARZVPZ-NXEZZACHSA-N 0 3 268.321 -1.103 20 0 CAADHN CCCN1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001081339452 776361013 /nfs/dbraw/zinc/36/10/13/776361013.db2.gz VKUNSHCAXQRSHM-NXEZZACHSA-N 0 3 268.321 -1.102 20 0 CAADHN CO[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC001081448716 776370571 /nfs/dbraw/zinc/37/05/71/776370571.db2.gz QHFKHODKPFQBAT-IJLUTSLNSA-N 0 3 271.361 -1.112 20 0 CAADHN CO[C@@H]1CN(CCO)C[C@H]1NC(=O)Cn1cncc1C ZINC001081949404 776398705 /nfs/dbraw/zinc/39/87/05/776398705.db2.gz NIWVUMPQIPTTHW-VXGBXAGGSA-N 0 3 282.344 -1.001 20 0 CAADHN CO[C@@H]1CN(C[C@@H](C)O)C[C@H]1NC(=O)c1cn[nH]n1 ZINC001081888249 776400148 /nfs/dbraw/zinc/40/01/48/776400148.db2.gz PLTMQZQPGFKPCI-SZEHBUNVSA-N 0 3 269.305 -1.386 20 0 CAADHN CO[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1[n-]nnc1C ZINC001082014299 776401184 /nfs/dbraw/zinc/40/11/84/776401184.db2.gz TYNGSRVTMGDEHA-SZEHBUNVSA-N 0 3 283.332 -1.077 20 0 CAADHN CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1[n-]nnc1C ZINC001082014299 776401190 /nfs/dbraw/zinc/40/11/90/776401190.db2.gz TYNGSRVTMGDEHA-SZEHBUNVSA-N 0 3 283.332 -1.077 20 0 CAADHN CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001082020957 776401470 /nfs/dbraw/zinc/40/14/70/776401470.db2.gz LNKCBEDOOAMADC-VXGBXAGGSA-N 0 3 298.387 -1.358 20 0 CAADHN CO[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1NC(=O)C(N)=O ZINC001082087718 776404145 /nfs/dbraw/zinc/40/41/45/776404145.db2.gz GYWWIDYAGHAJIG-GMTAPVOTSA-N 0 3 285.344 -1.286 20 0 CAADHN CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082083342 776404237 /nfs/dbraw/zinc/40/42/37/776404237.db2.gz HOGDUSRVYOKSRA-GMTAPVOTSA-N 0 3 282.344 -1.107 20 0 CAADHN CO[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1NC(=O)C(N)=O ZINC001082089209 776405883 /nfs/dbraw/zinc/40/58/83/776405883.db2.gz RNRHEJNPXGKHAF-IVZWLZJFSA-N 0 3 271.317 -1.676 20 0 CAADHN CO[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1NC(=O)C(N)=O ZINC001082089210 776406032 /nfs/dbraw/zinc/40/60/32/776406032.db2.gz RNRHEJNPXGKHAF-OPRDCNLKSA-N 0 3 271.317 -1.676 20 0 CAADHN CO[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1NC(=O)C(N)=O ZINC001082088901 776406159 /nfs/dbraw/zinc/40/61/59/776406159.db2.gz CUWHAMNAFRVQTD-HBNTYKKESA-N 0 3 285.344 -1.286 20 0 CAADHN CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001082186530 776407563 /nfs/dbraw/zinc/40/75/63/776407563.db2.gz XZJQBRQMXWBIFG-IVZWLZJFSA-N 0 3 298.343 -1.192 20 0 CAADHN CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001082245090 776409436 /nfs/dbraw/zinc/40/94/36/776409436.db2.gz XXKGHUBDGQIHAG-NXEZZACHSA-N 0 3 298.343 -1.238 20 0 CAADHN CO[C@@H]1CN(C[C@H](C)O)C[C@H]1NC(=O)c1nnc[nH]1 ZINC001082248797 776410016 /nfs/dbraw/zinc/41/00/16/776410016.db2.gz DBLRSRAOIAMXIU-DJLDLDEBSA-N 0 3 269.305 -1.386 20 0 CAADHN CO[C@@H]1CN(CCCO)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001082317433 776411473 /nfs/dbraw/zinc/41/14/73/776411473.db2.gz DUZNXWLVMHYZNB-NXEZZACHSA-N 0 3 283.332 -1.455 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090373394 776412594 /nfs/dbraw/zinc/41/25/94/776412594.db2.gz HOQLXLGLQCFSPO-NXEZZACHSA-N 0 3 283.332 -1.847 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C)C(N)=O ZINC001082426071 776414460 /nfs/dbraw/zinc/41/44/60/776414460.db2.gz RFRNYBURXMXILV-GMTAPVOTSA-N 0 3 294.359 -1.022 20 0 CAADHN OC[C@@H]1CN(c2ncc3c(n2)CCNC3)C[C@@H]1O ZINC001164533730 776414653 /nfs/dbraw/zinc/41/46/53/776414653.db2.gz VVASAWAGZWNXDF-ONGXEEELSA-N 0 3 250.302 -1.088 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@H]1NCC(N)=O ZINC001082472561 776415509 /nfs/dbraw/zinc/41/55/09/776415509.db2.gz QPVQXLDQEOVRFM-KXUCPTDWSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@H]1NCC(N)=O ZINC001082472562 776415512 /nfs/dbraw/zinc/41/55/12/776415512.db2.gz QPVQXLDQEOVRFM-OPRDCNLKSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1NCC(N)=O ZINC001082458158 776415716 /nfs/dbraw/zinc/41/57/16/776415716.db2.gz AFXYYPSGMJJKBT-GMTAPVOTSA-N 0 3 284.360 -1.761 20 0 CAADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)C1=O ZINC001082454353 776415750 /nfs/dbraw/zinc/41/57/50/776415750.db2.gz QSRICHAOUQSGAK-OUAUKWLOSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)n1cncn1 ZINC001082481850 776415926 /nfs/dbraw/zinc/41/59/26/776415926.db2.gz SGULFPDMWAKHRG-OPRDCNLKSA-N 0 3 280.332 -1.239 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C)C(N)=O ZINC001082441122 776416037 /nfs/dbraw/zinc/41/60/37/776416037.db2.gz KGWCXTGKOQGLCX-IWSPIJDZSA-N 0 3 291.373 -1.659 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)C[C@H]1NCC(N)=O ZINC001082475377 776416163 /nfs/dbraw/zinc/41/61/63/776416163.db2.gz VJOQIYTVKUGCNU-OPRDCNLKSA-N 0 3 283.328 -1.139 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1NCC(N)=O ZINC001082482925 776416189 /nfs/dbraw/zinc/41/61/89/776416189.db2.gz YTOPLKTZMXBBRE-MXWKQRLJSA-N 0 3 284.360 -1.761 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C)C(N)=O ZINC001082452966 776416218 /nfs/dbraw/zinc/41/62/18/776416218.db2.gz ZGGKJAICWFASPK-IWSPIJDZSA-N 0 3 292.343 -1.017 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1N[C@H]1CCNC1=O ZINC001082496402 776416281 /nfs/dbraw/zinc/41/62/81/776416281.db2.gz WWMPDAROGCYRBD-KXUCPTDWSA-N 0 3 292.343 -1.246 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1NCC(N)=O ZINC001082497172 776416717 /nfs/dbraw/zinc/41/67/17/776416717.db2.gz ZOUHTYKAFMSQIG-BWZBUEFSSA-N 0 3 270.289 -1.983 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C)C(N)=O ZINC001082500050 776416733 /nfs/dbraw/zinc/41/67/33/776416733.db2.gz XPHMJEZADJRWHU-HRDYMLBCSA-N 0 3 280.332 -1.261 20 0 CAADHN CCN1C[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)CC1=O ZINC001082543003 776416796 /nfs/dbraw/zinc/41/67/96/776416796.db2.gz DGDJNZAPNSZRLC-OUAUKWLOSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082500259 776416934 /nfs/dbraw/zinc/41/69/34/776416934.db2.gz SODQZVLNDRLIIK-OPRDCNLKSA-N 0 3 292.343 -1.246 20 0 CAADHN CO[C@@H](C)CN1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083935942 776416961 /nfs/dbraw/zinc/41/69/61/776416961.db2.gz VMYZUMCBJMWVCE-AEJSXWLSSA-N 0 3 283.332 -1.457 20 0 CAADHN CCN1C[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)CC1=O ZINC001082543002 776417290 /nfs/dbraw/zinc/41/72/90/776417290.db2.gz DGDJNZAPNSZRLC-GMTAPVOTSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C)C(N)=O ZINC001082489026 776417339 /nfs/dbraw/zinc/41/73/39/776417339.db2.gz DWVAKJUHKHCSNR-OUAUKWLOSA-N 0 3 294.359 -1.022 20 0 CAADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1N[C@H]1CCNC1=O ZINC001082500258 776417364 /nfs/dbraw/zinc/41/73/64/776417364.db2.gz SODQZVLNDRLIIK-KXUCPTDWSA-N 0 3 292.343 -1.246 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C2)C1 ZINC001082489834 776417601 /nfs/dbraw/zinc/41/76/01/776417601.db2.gz KRYZUUYICRZGRG-VDDIYKPWSA-N 0 3 296.371 -1.225 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C)C(N)=O ZINC001082573984 776418325 /nfs/dbraw/zinc/41/83/25/776418325.db2.gz MWEJIXILPRJIQI-IWSPIJDZSA-N 0 3 284.360 -1.192 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@]2(C)CCNC(=O)C2)C[C@H]1NCC(N)=O ZINC001082589613 776418392 /nfs/dbraw/zinc/41/83/92/776418392.db2.gz IIDSRMYFUCWLRE-RULNRJAQSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H]1CN(C(=O)[C@]2(C)CCNC(=O)C2)C[C@H]1NCC(N)=O ZINC001082589612 776418528 /nfs/dbraw/zinc/41/85/28/776418528.db2.gz IIDSRMYFUCWLRE-GPCCPHFNSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C[C@H]1NCC(N)=O ZINC001082590102 776418768 /nfs/dbraw/zinc/41/87/68/776418768.db2.gz CDXBEUXPVQPYLQ-DDHJBXDOSA-N 0 3 298.387 -1.373 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1NCC(N)=O ZINC001082580934 776418886 /nfs/dbraw/zinc/41/88/86/776418886.db2.gz MUHSTYPKQGRZDI-OPRDCNLKSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1NCC(N)=O ZINC001082567354 776418917 /nfs/dbraw/zinc/41/89/17/776418917.db2.gz ZMWPJGZHOIGITH-GJMOJQLCSA-N 0 3 297.315 -2.494 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1NCC(N)=O ZINC001082576583 776419073 /nfs/dbraw/zinc/41/90/73/776419073.db2.gz NHSYQWUUUWJPAE-OPRDCNLKSA-N 0 3 282.344 -1.566 20 0 CAADHN CN1C(=O)CN([N-]C(=O)c2cnn(CC[NH+](C)C)c2)C1=O ZINC001118935106 776419229 /nfs/dbraw/zinc/41/92/29/776419229.db2.gz GMEPHQYPIWEHFG-UHFFFAOYSA-N 0 3 294.315 -1.017 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2cnc(N)n2)C1 ZINC001118989830 776420039 /nfs/dbraw/zinc/42/00/39/776420039.db2.gz FAFZDZRBFXGXLH-VIFPVBQESA-N 0 3 268.321 -1.303 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1NCC(N)=O ZINC001082684903 776420488 /nfs/dbraw/zinc/42/04/88/776420488.db2.gz TVOUFNNNKSCBFC-HLTSFMKQSA-N 0 3 283.332 -2.068 20 0 CAADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082691304 776420605 /nfs/dbraw/zinc/42/06/05/776420605.db2.gz KABATHOXFFXPCR-IWSPIJDZSA-N 0 3 293.331 -1.851 20 0 CAADHN C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1N[C@H]1CCNC1=O ZINC001082717090 776421351 /nfs/dbraw/zinc/42/13/51/776421351.db2.gz PMSMZHPYUAVPLK-KXUCPTDWSA-N 0 3 294.355 -1.423 20 0 CAADHN C[C@@H]1CN(C(=O)[C@]2(C)CCC(=O)NC2)C[C@H]1NCC(N)=O ZINC001082697365 776421369 /nfs/dbraw/zinc/42/13/69/776421369.db2.gz APYRCVNAOBBZFU-GPCCPHFNSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C)C(N)=O ZINC001082711264 776421389 /nfs/dbraw/zinc/42/13/89/776421389.db2.gz ZBTZIPCOUMMLQZ-KHQFGBGNSA-N 0 3 293.327 -1.306 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1NCC(N)=O ZINC001082738220 776421538 /nfs/dbraw/zinc/42/15/38/776421538.db2.gz HAIHACVHDNILTF-KKFJDGPESA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1N[C@@H]1CCNC1=O ZINC001082716175 776421569 /nfs/dbraw/zinc/42/15/69/776421569.db2.gz OFAJVLFKYAJKSD-BWZBUEFSSA-N 0 3 254.290 -2.203 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(N)=O ZINC001082744435 776421596 /nfs/dbraw/zinc/42/15/96/776421596.db2.gz LVEFZXYRAWUVBZ-LURQLKTLSA-N 0 3 268.317 -1.970 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)C[C@H]1NCC(N)=O ZINC001082734662 776421651 /nfs/dbraw/zinc/42/16/51/776421651.db2.gz SNFPNJPEOBKBOQ-GMTAPVOTSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1N[C@H]1CCNC1=O ZINC001082716176 776421828 /nfs/dbraw/zinc/42/18/28/776421828.db2.gz OFAJVLFKYAJKSD-GJMOJQLCSA-N 0 3 254.290 -2.203 20 0 CAADHN CC(C)N1CC[C@@H](N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1=O ZINC001082716937 776422068 /nfs/dbraw/zinc/42/20/68/776422068.db2.gz ZGMMYJQDJZDSTG-GMTAPVOTSA-N 0 3 296.371 -1.083 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1N[C@H]1CCNC1=O ZINC001082805486 776422139 /nfs/dbraw/zinc/42/21/39/776422139.db2.gz BMHMATZAWYHAKJ-WCABBAIRSA-N 0 3 292.343 -1.246 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C)C(N)=O ZINC001082717163 776422308 /nfs/dbraw/zinc/42/23/08/776422308.db2.gz WFDKCHANRRBMAP-IWSPIJDZSA-N 0 3 282.344 -1.438 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1NCC(N)=O ZINC001082802198 776422971 /nfs/dbraw/zinc/42/29/71/776422971.db2.gz AQWSLQZIIIIKQB-OPRDCNLKSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1NCC(N)=O ZINC001082802197 776423021 /nfs/dbraw/zinc/42/30/21/776423021.db2.gz AQWSLQZIIIIKQB-KXUCPTDWSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C)C(N)=O ZINC001082816391 776423417 /nfs/dbraw/zinc/42/34/17/776423417.db2.gz WAQPJNFREZPMFA-BKPPORCPSA-N 0 3 267.289 -1.007 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C)C(N)=O ZINC001082821370 776423532 /nfs/dbraw/zinc/42/35/32/776423532.db2.gz IDHVNNDFDAMBLU-KXUCPTDWSA-N 0 3 295.347 -1.627 20 0 CAADHN C[C@H]([NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C)C(N)=O ZINC001082814496 776423678 /nfs/dbraw/zinc/42/36/78/776423678.db2.gz SLTKDWJKIGCARU-GJMOJQLCSA-N 0 3 266.305 -1.271 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082815173 776424021 /nfs/dbraw/zinc/42/40/21/776424021.db2.gz WBJRGEBWSOOJBG-HRDYMLBCSA-N 0 3 278.316 -1.257 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)C1 ZINC001082888453 776424795 /nfs/dbraw/zinc/42/47/95/776424795.db2.gz NQKJGYUQBRGUIO-ADEWGFFLSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082905065 776425390 /nfs/dbraw/zinc/42/53/90/776425390.db2.gz SFWZZZQFRNXYOH-GMTAPVOTSA-N 0 3 292.343 -1.397 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCCNC2=O)[C@H](O)C1 ZINC001090392223 776426256 /nfs/dbraw/zinc/42/62/56/776426256.db2.gz REGJEGASRFCPDK-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCC(=O)N(C)C2)C[C@H]1NCC(N)=O ZINC001082944859 776426505 /nfs/dbraw/zinc/42/65/05/776426505.db2.gz MNVIYXGYHFRIGK-OUAUKWLOSA-N 0 3 296.371 -1.223 20 0 CAADHN COCCCNC(=O)CNC[C@H]1CN(C(C)=O)CCO1 ZINC001273208767 776426947 /nfs/dbraw/zinc/42/69/47/776426947.db2.gz SIMGBJNHAUVRRE-LBPRGKRZSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)C2)C[C@H]1NCC(N)=O ZINC001082944858 776427437 /nfs/dbraw/zinc/42/74/37/776427437.db2.gz MNVIYXGYHFRIGK-GMTAPVOTSA-N 0 3 296.371 -1.223 20 0 CAADHN COCC[C@@H](N)C(=O)N[C@]1(C(=O)OC)CCOC1 ZINC001119297556 776428121 /nfs/dbraw/zinc/42/81/21/776428121.db2.gz OTFVNOUXUSEYHX-LDYMZIIASA-N 0 3 260.290 -1.202 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCO[C@@H]2CN(CCO)C[C@@H]21 ZINC001083023805 776429565 /nfs/dbraw/zinc/42/95/65/776429565.db2.gz PRAOPPQCSSRXCG-FRRDWIJNSA-N 0 3 283.372 -1.016 20 0 CAADHN O=C(Cn1ncnn1)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC001083083347 776432582 /nfs/dbraw/zinc/43/25/82/776432582.db2.gz PRWSYBSIYPHWBZ-NWDGAFQWSA-N 0 3 292.343 -1.005 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H]2CN(C[C@H]3CCCOC3)C[C@@H]21 ZINC001083179388 776435614 /nfs/dbraw/zinc/43/56/14/776435614.db2.gz VGPORAAAQBMIJQ-GRYCIOLGSA-N 0 3 297.355 -1.190 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC001083180221 776436229 /nfs/dbraw/zinc/43/62/29/776436229.db2.gz XSCRXQYACHDCDN-SDDRHHMPSA-N 0 3 294.355 -1.011 20 0 CAADHN CN(C)c1ccncc1C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083962198 776438856 /nfs/dbraw/zinc/43/88/56/776438856.db2.gz ZYPLDCBCUJPDJI-YPMHNXCESA-N 0 3 294.355 -1.085 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083998634 776439522 /nfs/dbraw/zinc/43/95/22/776439522.db2.gz HCLSMDZYQJALCY-ZJUUUORDSA-N 0 3 281.316 -2.093 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083972420 776439719 /nfs/dbraw/zinc/43/97/19/776439719.db2.gz YSFYUSHRRIGWFV-AEJSXWLSSA-N 0 3 255.318 -1.165 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001084040617 776440501 /nfs/dbraw/zinc/44/05/01/776440501.db2.gz RJRONXSNCUNNKT-MNOVXSKESA-N 0 3 295.339 -1.293 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001084033725 776440552 /nfs/dbraw/zinc/44/05/52/776440552.db2.gz CHPUHPFWPCVCPP-UTUOFQBUSA-N 0 3 295.343 -1.524 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001084033724 776440665 /nfs/dbraw/zinc/44/06/65/776440665.db2.gz CHPUHPFWPCVCPP-TUAOUCFPSA-N 0 3 295.343 -1.524 20 0 CAADHN CCCCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084036111 776440941 /nfs/dbraw/zinc/44/09/41/776440941.db2.gz QSLDEWMMNFTNGG-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001084030482 776441177 /nfs/dbraw/zinc/44/11/77/776441177.db2.gz VAPVLLGAAUFCMZ-MNOVXSKESA-N 0 3 280.328 -1.036 20 0 CAADHN CCN1C[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)[C@@H](O)C1 ZINC001084078635 776443689 /nfs/dbraw/zinc/44/36/89/776443689.db2.gz BETIWNMTJIAHMI-WOPDTQHZSA-N 0 3 271.361 -1.112 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068770 776445253 /nfs/dbraw/zinc/44/52/53/776445253.db2.gz IBKKEWLIGMIPOP-BBBLOLIVSA-N 0 3 291.373 -1.751 20 0 CAADHN Cc1nccn1CC(=O)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001084060240 776445556 /nfs/dbraw/zinc/44/55/56/776445556.db2.gz OJXADSHCJSDOMR-NEPJUHHUSA-N 0 3 282.344 -1.265 20 0 CAADHN COCCN1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001084057715 776445700 /nfs/dbraw/zinc/44/57/00/776445700.db2.gz YUIKAXKKYKQQBN-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H]2COCCN2C(C)=O)[C@@H](O)C1 ZINC001084073390 776447062 /nfs/dbraw/zinc/44/70/62/776447062.db2.gz SLYDLTBUZASXQC-UPJWGTAASA-N 0 3 299.371 -1.195 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H]2COCCN2C(C)=O)[C@@H](O)C1 ZINC001084073389 776447170 /nfs/dbraw/zinc/44/71/70/776447170.db2.gz SLYDLTBUZASXQC-AGIUHOORSA-N 0 3 299.371 -1.195 20 0 CAADHN CCCN1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001084097367 776449050 /nfs/dbraw/zinc/44/90/50/776449050.db2.gz QQYGTHYACKXLDS-KOLCDFICSA-N 0 3 282.344 -1.091 20 0 CAADHN CCCN1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001084129576 776449935 /nfs/dbraw/zinc/44/99/35/776449935.db2.gz UBBXMPCJLRUGEA-BBBLOLIVSA-N 0 3 283.328 -1.390 20 0 CAADHN CCCN1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001084129575 776450634 /nfs/dbraw/zinc/45/06/34/776450634.db2.gz UBBXMPCJLRUGEA-AEJSXWLSSA-N 0 3 283.328 -1.390 20 0 CAADHN COCCN1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084176692 776450682 /nfs/dbraw/zinc/45/06/82/776450682.db2.gz CAJQKUYMVCFMJA-GHMZBOCLSA-N 0 3 280.332 -1.148 20 0 CAADHN CCNC(=O)CC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099797475 776452723 /nfs/dbraw/zinc/45/27/23/776452723.db2.gz UTOJEGCNBXIEEJ-WDEREUQCSA-N 0 3 287.360 -1.554 20 0 CAADHN NC(=O)[C@H]1CN(c2ncc3c(n2)CCNC3)CCN1 ZINC001166723720 776453178 /nfs/dbraw/zinc/45/31/78/776453178.db2.gz JFFIAUVOOYPKER-SNVBAGLBSA-N 0 3 262.317 -1.614 20 0 CAADHN C[C@H](O)CN1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084348140 776453278 /nfs/dbraw/zinc/45/32/78/776453278.db2.gz SAUGJJLURSORNR-HBNTYKKESA-N 0 3 280.332 -1.413 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084620143 776455061 /nfs/dbraw/zinc/45/50/61/776455061.db2.gz BGYQUHHHEWNJEQ-GMTAPVOTSA-N 0 3 282.344 -1.417 20 0 CAADHN CN1C[C@@H](C(=O)N2C[C@H]3CCN(CCCO)C[C@H]32)NC1=O ZINC001084577811 776455447 /nfs/dbraw/zinc/45/54/47/776455447.db2.gz YFFNLHYIIYSHOR-GRYCIOLGSA-N 0 3 296.371 -1.075 20 0 CAADHN C[C@@H](O)CN1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737909 776458871 /nfs/dbraw/zinc/45/88/71/776458871.db2.gz HSOQRXNSROQLRT-IJLUTSLNSA-N 0 3 294.359 -1.023 20 0 CAADHN CS(=O)(=O)N(c1nccc(C(N)=O)n1)C1CNC1 ZINC001166967589 776458978 /nfs/dbraw/zinc/45/89/78/776458978.db2.gz QHUDDIDOHKKQJT-UHFFFAOYSA-N 0 3 271.302 -1.687 20 0 CAADHN O=C(CCn1cnnn1)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001084738146 776458994 /nfs/dbraw/zinc/45/89/94/776458994.db2.gz TVPDEZLZVSRMJE-GHMZBOCLSA-N 0 3 280.332 -1.412 20 0 CAADHN C[C@H](O)CN1CC[C@@H]2CN(C(=O)CCn3cnnn3)[C@@H]2C1 ZINC001084737910 776459741 /nfs/dbraw/zinc/45/97/41/776459741.db2.gz HSOQRXNSROQLRT-QJPTWQEYSA-N 0 3 294.359 -1.023 20 0 CAADHN Cn1cc([C@H](O)CNS(=O)(=O)C2CNC2)cn1 ZINC001119617589 776461442 /nfs/dbraw/zinc/46/14/42/776461442.db2.gz RKILYQAFBBFORV-SECBINFHSA-N 0 3 260.319 -1.655 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@H](O)C1 ZINC001090401768 776461736 /nfs/dbraw/zinc/46/17/36/776461736.db2.gz DADRCWPUXGPPRS-NXEZZACHSA-N 0 3 296.327 -1.480 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001090401770 776462730 /nfs/dbraw/zinc/46/27/30/776462730.db2.gz DADRCWPUXGPPRS-UWVGGRQHSA-N 0 3 296.327 -1.480 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001273237542 776462798 /nfs/dbraw/zinc/46/27/98/776462798.db2.gz RSCWTRLXTYTAIY-MRVPVSSYSA-N 0 3 272.305 -2.575 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001273237569 776462910 /nfs/dbraw/zinc/46/29/10/776462910.db2.gz RSCWTRLXTYTAIY-QMMMGPOBSA-N 0 3 272.305 -2.575 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001090401773 776462931 /nfs/dbraw/zinc/46/29/31/776462931.db2.gz DADRCWPUXGPPRS-ZJUUUORDSA-N 0 3 296.327 -1.480 20 0 CAADHN CCN1CC[C@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001099864148 776465312 /nfs/dbraw/zinc/46/53/12/776465312.db2.gz PRPAPPVUZYOGLG-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@@H](O)CN1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001085021436 776465908 /nfs/dbraw/zinc/46/59/08/776465908.db2.gz VTTMNMGZKBDXCY-BBBLOLIVSA-N 0 3 255.318 -1.225 20 0 CAADHN CCN1CC[C@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 ZINC001099864164 776465914 /nfs/dbraw/zinc/46/59/14/776465914.db2.gz PRPAPPVUZYOGLG-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN COCC(=O)NCCCN(C)[C@H]1CCC(=O)NC1=O ZINC001230944767 776466043 /nfs/dbraw/zinc/46/60/43/776466043.db2.gz PKGQDGIEBMXXJP-VIFPVBQESA-N 0 3 271.317 -1.124 20 0 CAADHN CCOC(=O)[C@@H]1CC[C@H](NS(=O)(=O)CCN)CO1 ZINC001169332597 776526715 /nfs/dbraw/zinc/52/67/15/776526715.db2.gz ZOENWDKJCKCKQM-IUCAKERBSA-N 0 3 280.346 -1.025 20 0 CAADHN CNC(=O)NCc1cn(C[C@H]2CNCCO2)nn1 ZINC001120087264 776467176 /nfs/dbraw/zinc/46/71/76/776467176.db2.gz FMEREDVLFZHBJU-SECBINFHSA-N 0 3 254.294 -1.305 20 0 CAADHN CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC001085110573 776467232 /nfs/dbraw/zinc/46/72/32/776467232.db2.gz ZEYGYCUBJCROFG-VXGBXAGGSA-N 0 3 296.371 -1.018 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1 ZINC001085159290 776468617 /nfs/dbraw/zinc/46/86/17/776468617.db2.gz ODMNSTWKPWDUME-UTUOFQBUSA-N 0 3 298.387 -1.181 20 0 CAADHN CON(C)C(=O)CNC[C@@H](O)C[C@@]1(O)CCOC1 ZINC001120273150 776468637 /nfs/dbraw/zinc/46/86/37/776468637.db2.gz MLDNTNGTTKBRKZ-ONGXEEELSA-N 0 3 262.306 -1.502 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001085187611 776469026 /nfs/dbraw/zinc/46/90/26/776469026.db2.gz OPLXROZVVIOOAP-HLTSFMKQSA-N 0 3 284.316 -1.403 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001085187612 776469076 /nfs/dbraw/zinc/46/90/76/776469076.db2.gz OPLXROZVVIOOAP-IWSPIJDZSA-N 0 3 284.316 -1.403 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001085128378 776469166 /nfs/dbraw/zinc/46/91/66/776469166.db2.gz PATSZEUHZDNJQK-RKDXNWHRSA-N 0 3 281.320 -1.825 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)n1 ZINC001085190920 776470297 /nfs/dbraw/zinc/47/02/97/776470297.db2.gz ZNRPOMWGEVRUEF-RKDXNWHRSA-N 0 3 280.332 -1.069 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CC(N)=O ZINC001273305901 776477387 /nfs/dbraw/zinc/47/73/87/776477387.db2.gz YPHYFGNKFZSFMF-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CC(N)=O ZINC001273305900 776477874 /nfs/dbraw/zinc/47/78/74/776477874.db2.gz YPHYFGNKFZSFMF-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)CC(N)=O ZINC001273305731 776478050 /nfs/dbraw/zinc/47/80/50/776478050.db2.gz UKEQCWRJWRBWRD-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001273308021 776478060 /nfs/dbraw/zinc/47/80/60/776478060.db2.gz GQKNDICDKCRGHB-MRVPVSSYSA-N 0 3 272.305 -2.575 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1nccn1 ZINC001085212433 776479431 /nfs/dbraw/zinc/47/94/31/776479431.db2.gz YQTBWWNYWFARCF-NXEZZACHSA-N 0 3 280.332 -1.220 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCCNC1=O ZINC001085317558 776479804 /nfs/dbraw/zinc/47/98/04/776479804.db2.gz FYOFAIHBYQNDOX-BBBLOLIVSA-N 0 3 282.344 -1.233 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001085312583 776480248 /nfs/dbraw/zinc/48/02/48/776480248.db2.gz MVZFVDMCSMVEIC-RKDXNWHRSA-N 0 3 293.327 -1.114 20 0 CAADHN COCCN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000824413202 776480501 /nfs/dbraw/zinc/48/05/01/776480501.db2.gz VUKCMNSCYJPESR-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001085296436 776480536 /nfs/dbraw/zinc/48/05/36/776480536.db2.gz CLLWPBZTYBQKQO-OPRDCNLKSA-N 0 3 282.344 -1.375 20 0 CAADHN CN1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)C1=O ZINC001085302591 776480799 /nfs/dbraw/zinc/48/07/99/776480799.db2.gz WEBNMRMIWSCMPW-HBNTYKKESA-N 0 3 296.371 -1.033 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)NC1=O ZINC001085297786 776480834 /nfs/dbraw/zinc/48/08/34/776480834.db2.gz SDQNYPODXUSVDM-OPRDCNLKSA-N 0 3 297.359 -1.488 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1N[C@H]1CCC(=O)NC1=O ZINC001085317642 776480866 /nfs/dbraw/zinc/48/08/66/776480866.db2.gz IRQYHYDJJJQILR-HLTSFMKQSA-N 0 3 296.327 -1.706 20 0 CAADHN COC1CCN(CCNC(=O)CN2CCNC(=O)C2)CC1 ZINC000824300249 776481061 /nfs/dbraw/zinc/48/10/61/776481061.db2.gz BSTVYJRCHQVNMD-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O)C(N)=O ZINC001085317912 776481729 /nfs/dbraw/zinc/48/17/29/776481729.db2.gz WKFLJWMZQFFENO-XLPZGREQSA-N 0 3 256.306 -1.638 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCCC[C@H]2NC(=O)C(N)=O)C1=O ZINC001085317819 776482138 /nfs/dbraw/zinc/48/21/38/776482138.db2.gz REKVMPFJNKLPEA-BBBLOLIVSA-N 0 3 282.344 -1.281 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099974827 776483327 /nfs/dbraw/zinc/48/33/27/776483327.db2.gz WGEFWKJJGZMCRS-IUCAKERBSA-N 0 3 259.306 -1.940 20 0 CAADHN NC(=O)C1(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)CC1 ZINC001099980014 776485578 /nfs/dbraw/zinc/48/55/78/776485578.db2.gz AFNLCMLMPYDNRU-UWVGGRQHSA-N 0 3 285.344 -1.814 20 0 CAADHN NC(=O)C1(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)CC1 ZINC001099980015 776485695 /nfs/dbraw/zinc/48/56/95/776485695.db2.gz AFNLCMLMPYDNRU-VHSXEESVSA-N 0 3 285.344 -1.814 20 0 CAADHN CCN1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980854 776485726 /nfs/dbraw/zinc/48/57/26/776485726.db2.gz KDOIFAWGXCBENX-IUCAKERBSA-N 0 3 255.318 -1.177 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)CC1 ZINC001099980016 776485827 /nfs/dbraw/zinc/48/58/27/776485827.db2.gz AFNLCMLMPYDNRU-ZJUUUORDSA-N 0 3 285.344 -1.814 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000828578014 776488452 /nfs/dbraw/zinc/48/84/52/776488452.db2.gz WAWPAZHFFMLJBR-AVGNSLFASA-N 0 3 285.388 -1.034 20 0 CAADHN NC(=O)NCCC(=O)N1CCO[C@@H](CNCCF)C1 ZINC001273358553 776491579 /nfs/dbraw/zinc/49/15/79/776491579.db2.gz HHQOOXBNFUDRAX-VIFPVBQESA-N 0 3 276.312 -1.169 20 0 CAADHN COCCN1CC[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001016430489 776491666 /nfs/dbraw/zinc/49/16/66/776491666.db2.gz OEJFBWAPPPGVGE-ZJUUUORDSA-N 0 3 283.328 -1.124 20 0 CAADHN C[C@@]1(CNC(=O)CCc2cnn[nH]2)CN(CCO)CCO1 ZINC001108224693 776495691 /nfs/dbraw/zinc/49/56/91/776495691.db2.gz POADVPFZMRLBNP-CYBMUJFWSA-N 0 3 297.359 -1.063 20 0 CAADHN Cn1cncc1C(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090403297 776498649 /nfs/dbraw/zinc/49/86/49/776498649.db2.gz LBUPHOPPIFBIST-CMPLNLGQSA-N 0 3 282.344 -1.033 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H]2CCN(CCOC)C[C@H]2O)CC1 ZINC001100034074 776500893 /nfs/dbraw/zinc/50/08/93/776500893.db2.gz NTIVLOZAQVWROO-GHMZBOCLSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)CC1 ZINC001100033856 776501026 /nfs/dbraw/zinc/50/10/26/776501026.db2.gz LXFMLPJZTCXJIY-QWRGUYRKSA-N 0 3 299.371 -1.554 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H]2CCN(CCOC)C[C@@H]2O)CC1 ZINC001100034076 776501045 /nfs/dbraw/zinc/50/10/45/776501045.db2.gz NTIVLOZAQVWROO-QWRGUYRKSA-N 0 3 299.371 -1.290 20 0 CAADHN O=C(CCn1cnnn1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001100045373 776504216 /nfs/dbraw/zinc/50/42/16/776504216.db2.gz BBEYFDWCJCOZKF-GHMZBOCLSA-N 0 3 298.347 -2.003 20 0 CAADHN CCN1CC[C@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001100058496 776506519 /nfs/dbraw/zinc/50/65/19/776506519.db2.gz UKEJWUNZZJNPDL-QWRGUYRKSA-N 0 3 297.359 -1.097 20 0 CAADHN NC(=O)c1ccnc([N-][C@@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155570459 776506986 /nfs/dbraw/zinc/50/69/86/776506986.db2.gz MYZHMWVFFRDKCP-CPCISQLKSA-N 0 3 262.273 -1.435 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cc2n(n1)CCO2 ZINC001273427911 776509462 /nfs/dbraw/zinc/50/94/62/776509462.db2.gz NCHASGLEIPADID-UHFFFAOYSA-N 0 3 281.316 -1.188 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001100101362 776512097 /nfs/dbraw/zinc/51/20/97/776512097.db2.gz LAWMMDZXOUXXJL-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN Cn1nnnc1CN[C@H]1C[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001086507626 776512176 /nfs/dbraw/zinc/51/21/76/776512176.db2.gz DVXXBLGGPUGNKB-ZKCHVHJHSA-N 0 3 291.319 -1.374 20 0 CAADHN Cn1nnnc1CN[C@H]1C[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001086507626 776512177 /nfs/dbraw/zinc/51/21/77/776512177.db2.gz DVXXBLGGPUGNKB-ZKCHVHJHSA-N 0 3 291.319 -1.374 20 0 CAADHN CCN1CC[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100091977 776512243 /nfs/dbraw/zinc/51/22/43/776512243.db2.gz INKCPLGMZHGEJR-VHSXEESVSA-N 0 3 293.389 -1.551 20 0 CAADHN CCN1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117528 776513102 /nfs/dbraw/zinc/51/31/02/776513102.db2.gz KHCHMYLDBHHQBN-DTWKUNHWSA-N 0 3 279.362 -1.893 20 0 CAADHN NC(=O)NCCC(=O)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001100105192 776513596 /nfs/dbraw/zinc/51/35/96/776513596.db2.gz GCDRGLCIFNZVAY-UWVGGRQHSA-N 0 3 290.339 -1.044 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001100105194 776513927 /nfs/dbraw/zinc/51/39/27/776513927.db2.gz GCDRGLCIFNZVAY-ZJUUUORDSA-N 0 3 290.339 -1.044 20 0 CAADHN Cn1c(=O)cc(CN2CC[C@H](CO)C2)n(C)c1=O ZINC000051887268 776514124 /nfs/dbraw/zinc/51/41/24/776514124.db2.gz FRGOGHIWJZUENS-VIFPVBQESA-N 0 3 253.302 -1.102 20 0 CAADHN CN(c1ccc(C(N)=O)cn1)S(=O)(=O)CCN ZINC001156232687 776516730 /nfs/dbraw/zinc/51/67/30/776516730.db2.gz ZTWJPAGYSNIJNB-UHFFFAOYSA-N 0 3 258.303 -1.095 20 0 CAADHN CN1CCN(c2ncc(-n3nnnc3CN)cn2)CC1 ZINC001168919954 776517951 /nfs/dbraw/zinc/51/79/51/776517951.db2.gz DMMDYGTXNMUIND-UHFFFAOYSA-N 0 3 275.320 -1.337 20 0 CAADHN CN1CCN(c2cc(-n3nnnc3CN)ncn2)CC1 ZINC001168919005 776518267 /nfs/dbraw/zinc/51/82/67/776518267.db2.gz QGRCGPPZCPMLBH-UHFFFAOYSA-N 0 3 275.320 -1.337 20 0 CAADHN CN1CCN(c2nccnc2-n2nnnc2CN)CC1 ZINC001168920590 776518860 /nfs/dbraw/zinc/51/88/60/776518860.db2.gz IZQDIMURNKAPDF-UHFFFAOYSA-N 0 3 275.320 -1.337 20 0 CAADHN CN(c1nc(Cl)ncc1C(N)=O)S(=O)(=O)CCN ZINC001156231703 776518900 /nfs/dbraw/zinc/51/89/00/776518900.db2.gz NJFZRPFLRCNLJK-UHFFFAOYSA-N 0 3 293.736 -1.046 20 0 CAADHN Cn1nncc1CNCCCNC(=O)CCn1cnnn1 ZINC001169110053 776522533 /nfs/dbraw/zinc/52/25/33/776522533.db2.gz JCKFANSQHDEXSE-UHFFFAOYSA-N 0 3 293.335 -1.512 20 0 CAADHN CCOC(=O)[C@@H]1CC[C@@H](NC(CO)(CO)CO)CO1 ZINC001169317678 776523192 /nfs/dbraw/zinc/52/31/92/776523192.db2.gz CABVTVLBTTVJSL-ZJUUUORDSA-N 0 3 277.317 -1.598 20 0 CAADHN CCOC(=O)[C@@H]1CC[C@H](NC(CO)(CO)CO)CO1 ZINC001169317665 776523350 /nfs/dbraw/zinc/52/33/50/776523350.db2.gz CABVTVLBTTVJSL-UWVGGRQHSA-N 0 3 277.317 -1.598 20 0 CAADHN C[C@H](N)c1ccn(-c2nn(C)c(=O)n(C)c2=O)n1 ZINC001169232556 776523419 /nfs/dbraw/zinc/52/34/19/776523419.db2.gz HPRBUAHTIPGMKX-LURJTMIESA-N 0 3 250.262 -1.316 20 0 CAADHN COc1nc(-n2nncc2CN)nc(N2CCOCC2)n1 ZINC001169308138 776524698 /nfs/dbraw/zinc/52/46/98/776524698.db2.gz IEYWESJDYPYYHG-UHFFFAOYSA-N 0 3 292.303 -1.244 20 0 CAADHN CN1CCOc2c(N[C@@H](CO)C(N)=O)nncc21 ZINC001169323693 776524841 /nfs/dbraw/zinc/52/48/41/776524841.db2.gz IWNRODQLYQKSNN-LURJTMIESA-N 0 3 253.262 -1.437 20 0 CAADHN Cc1nc(N[C@@H](CO)C(N)=O)cc(N2CCOCC2)n1 ZINC001169323945 776524883 /nfs/dbraw/zinc/52/48/83/776524883.db2.gz LMBBWBUPMQHEIZ-VIFPVBQESA-N 0 3 281.316 -1.120 20 0 CAADHN NCc1cnnn1-c1ccc(CS(N)(=O)=O)cn1 ZINC001169310556 776524921 /nfs/dbraw/zinc/52/49/21/776524921.db2.gz HDUQVRLYHYAPEG-UHFFFAOYSA-N 0 3 268.302 -1.091 20 0 CAADHN CN1CCN(c2cc(-n3nncc3CN)ncn2)CC1=O ZINC001169310882 776524974 /nfs/dbraw/zinc/52/49/74/776524974.db2.gz LJCIQGNATJTCIT-UHFFFAOYSA-N 0 3 288.315 -1.206 20 0 CAADHN COCCn1cc(-n2nncc2CN)ncc1=O ZINC001169311805 776525035 /nfs/dbraw/zinc/52/50/35/776525035.db2.gz DADHHANRWHUGSP-UHFFFAOYSA-N 0 3 250.262 -1.071 20 0 CAADHN NC(=O)[C@H](CO)Nc1ccc2c(n1)OCCNC2 ZINC001169326993 776525735 /nfs/dbraw/zinc/52/57/35/776525735.db2.gz JVZNOMMOSQYLKQ-QMMMGPOBSA-N 0 3 252.274 -1.178 20 0 CAADHN NC(=O)[C@@H](CO)Nc1ccc2c(n1)OCCNC2 ZINC001169326992 776526101 /nfs/dbraw/zinc/52/61/01/776526101.db2.gz JVZNOMMOSQYLKQ-MRVPVSSYSA-N 0 3 252.274 -1.178 20 0 CAADHN CCOC(=O)[C@H]1CC[C@@H](NS(=O)(=O)CCN)CO1 ZINC001169332598 776527556 /nfs/dbraw/zinc/52/75/56/776527556.db2.gz ZOENWDKJCKCKQM-RKDXNWHRSA-N 0 3 280.346 -1.025 20 0 CAADHN CCN(CC)C(=O)C[C@H](C)NC(CO)(CO)CO ZINC001169437904 776528524 /nfs/dbraw/zinc/52/85/24/776528524.db2.gz RPVXJBVAHQYZIG-JTQLQIEISA-N 0 3 262.350 -1.061 20 0 CAADHN CCOC(=O)[C@H]1CC[C@@H](NCC(=O)NCC(N)=O)CO1 ZINC001169365729 776528787 /nfs/dbraw/zinc/52/87/87/776528787.db2.gz GBIFKFUUEMDAES-RKDXNWHRSA-N 0 3 287.316 -1.712 20 0 CAADHN COC(=O)CNC(=O)CN[C@H]1CCN(C(C)=O)C1 ZINC001169508789 776530406 /nfs/dbraw/zinc/53/04/06/776530406.db2.gz ABCMKOLIGPQMOU-VIFPVBQESA-N 0 3 257.290 -1.514 20 0 CAADHN COC(=O)CNC(=O)CN[C@H]1CCCN(C(C)=O)C1 ZINC001169586669 776532816 /nfs/dbraw/zinc/53/28/16/776532816.db2.gz IXYPTZHEFGYLTO-JTQLQIEISA-N 0 3 271.317 -1.124 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129346251 776536151 /nfs/dbraw/zinc/53/61/51/776536151.db2.gz AALYLHDIPZYPMK-UHFFFAOYSA-N 0 3 294.359 -1.003 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1cc(C2CC2)nn1)C(N)=O ZINC001129347802 776538234 /nfs/dbraw/zinc/53/82/34/776538234.db2.gz SSZVNNCULRKLOR-MRVPVSSYSA-N 0 3 280.332 -1.265 20 0 CAADHN CN(C)C1(C(=O)NCCNCc2nnnn2C)CCC1 ZINC001129352088 776540035 /nfs/dbraw/zinc/54/00/35/776540035.db2.gz VDZQOPSDGVOAAT-UHFFFAOYSA-N 0 3 281.364 -1.100 20 0 CAADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(C)=O)C2 ZINC001108876822 776541896 /nfs/dbraw/zinc/54/18/96/776541896.db2.gz DNGHBHSOVBBPQB-NDBYEHHHSA-N 0 3 299.371 -1.149 20 0 CAADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(C)=O)C2 ZINC001108876823 776542738 /nfs/dbraw/zinc/54/27/38/776542738.db2.gz DNGHBHSOVBBPQB-VOAKCMCISA-N 0 3 299.371 -1.149 20 0 CAADHN NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001108916913 776543513 /nfs/dbraw/zinc/54/35/13/776543513.db2.gz PKLYXWYHHQJRRO-VGMNWLOBSA-N 0 3 256.306 -1.632 20 0 CAADHN Cn1cncc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001169972774 776543553 /nfs/dbraw/zinc/54/35/53/776543553.db2.gz YNOOQNBDZZNHJS-QXOHVQIXSA-N 0 3 259.262 -2.368 20 0 CAADHN Cn1cncc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001169972773 776544210 /nfs/dbraw/zinc/54/42/10/776544210.db2.gz YNOOQNBDZZNHJS-GRUVDUQJSA-N 0 3 259.262 -2.368 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](Cn1cccn1)N(C)C ZINC001129381849 776547205 /nfs/dbraw/zinc/54/72/05/776547205.db2.gz ZMXNBCAXRQSURG-NSHDSACASA-N 0 3 296.375 -1.735 20 0 CAADHN CN(C)[C@@H](Cn1cccn1)C(=O)NCCNCC(N)=O ZINC001129384932 776548180 /nfs/dbraw/zinc/54/81/80/776548180.db2.gz BEJSJBWSDONCIS-JTQLQIEISA-N 0 3 282.348 -1.996 20 0 CAADHN CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001109194622 776548373 /nfs/dbraw/zinc/54/83/73/776548373.db2.gz VAZWWLLBJCFABV-UTLUCORTSA-N 0 3 255.318 -1.164 20 0 CAADHN CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)COC ZINC001109192119 776548390 /nfs/dbraw/zinc/54/83/90/776548390.db2.gz FJYYITMTCPAAKF-WYUUTHIRSA-N 0 3 299.371 -1.149 20 0 CAADHN CNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC ZINC001109192028 776548443 /nfs/dbraw/zinc/54/84/43/776548443.db2.gz FJYYITMTCPAAKF-RHYQMDGZSA-N 0 3 299.371 -1.149 20 0 CAADHN C[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109106470 776548713 /nfs/dbraw/zinc/54/87/13/776548713.db2.gz RWEFXQUBNKYBHP-JXUBOQSCSA-N 0 3 255.318 -1.036 20 0 CAADHN CN(C)[C@H](Cn1cccn1)C(=O)NCCNCC(N)=O ZINC001129384936 776549354 /nfs/dbraw/zinc/54/93/54/776549354.db2.gz BEJSJBWSDONCIS-SNVBAGLBSA-N 0 3 282.348 -1.996 20 0 CAADHN NC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001109110727 776549569 /nfs/dbraw/zinc/54/95/69/776549569.db2.gz YRNNKDSQMSXLMF-UTLUCORTSA-N 0 3 255.318 -1.034 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1CCN(CC(N)=O)C[C@H]1O ZINC001100132382 776551886 /nfs/dbraw/zinc/55/18/86/776551886.db2.gz SLEWZWXHZNTLLC-WDEREUQCSA-N 0 3 286.376 -1.637 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CCN(CC(N)=O)C[C@H]1O ZINC001100132379 776552303 /nfs/dbraw/zinc/55/23/03/776552303.db2.gz SLEWZWXHZNTLLC-GHMZBOCLSA-N 0 3 286.376 -1.637 20 0 CAADHN Cc1cncn1CC(=O)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001090434386 776554096 /nfs/dbraw/zinc/55/40/96/776554096.db2.gz YDDTWVOZQTXSMH-VXGBXAGGSA-N 0 3 282.344 -1.265 20 0 CAADHN Cc1cncn1CC(=O)N[C@H]1CCN(CCO)C[C@H]1O ZINC001090434382 776554170 /nfs/dbraw/zinc/55/41/70/776554170.db2.gz YDDTWVOZQTXSMH-NWDGAFQWSA-N 0 3 282.344 -1.265 20 0 CAADHN NC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001110080457 776556345 /nfs/dbraw/zinc/55/63/45/776556345.db2.gz COUIFKOWIFWVJR-UTLUCORTSA-N 0 3 270.333 -1.241 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@H](O)C1 ZINC001090444718 776575138 /nfs/dbraw/zinc/57/51/38/776575138.db2.gz JNSDVYSPZDNXCT-MWLCHTKSSA-N 0 3 280.328 -1.035 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(C)CC1 ZINC001157450679 776577491 /nfs/dbraw/zinc/57/74/91/776577491.db2.gz GBDWYNSTGPHREV-IUCAKERBSA-N 0 3 285.348 -2.532 20 0 CAADHN COC[C@@H](O)CN1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001113297684 776582821 /nfs/dbraw/zinc/58/28/21/776582821.db2.gz KGQGZHZIAOUEKZ-JTQLQIEISA-N 0 3 298.343 -1.109 20 0 CAADHN COC[C@H](O)CN1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC001113297685 776583787 /nfs/dbraw/zinc/58/37/87/776583787.db2.gz KGQGZHZIAOUEKZ-SNVBAGLBSA-N 0 3 298.343 -1.109 20 0 CAADHN COCCN1C[C@@H](C(=O)N2C[C@@H](F)[C@@H](N)C2)CC1=O ZINC001157535560 776584160 /nfs/dbraw/zinc/58/41/60/776584160.db2.gz CBHBYCDQVUYKLG-AEJSXWLSSA-N 0 3 273.308 -1.011 20 0 CAADHN COC[C@H](O)CN1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001113357908 776585031 /nfs/dbraw/zinc/58/50/31/776585031.db2.gz VAHJTINBWOFMQI-GFCCVEGCSA-N 0 3 297.359 -1.111 20 0 CAADHN O=C(Cc1ncn[nH]1)N1CCN(CCOCCO)CC1 ZINC001113518156 776588092 /nfs/dbraw/zinc/58/80/92/776588092.db2.gz BLKZMBGEKOXRAQ-UHFFFAOYSA-N 0 3 283.332 -1.500 20 0 CAADHN COCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001113764446 776593846 /nfs/dbraw/zinc/59/38/46/776593846.db2.gz KXAMPYVRCCZOAA-IAZYJMLFSA-N 0 3 258.318 -1.312 20 0 CAADHN CN(Cc1ncccn1)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001157681856 776595286 /nfs/dbraw/zinc/59/52/86/776595286.db2.gz PKCLBNLONRKIIN-JTQLQIEISA-N 0 3 277.328 -1.235 20 0 CAADHN O=C(CCn1cnnn1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115018813 776595624 /nfs/dbraw/zinc/59/56/24/776595624.db2.gz ZPQDXLQXVZYHEV-JZYVYDRUSA-N 0 3 266.305 -1.898 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001113788106 776596717 /nfs/dbraw/zinc/59/67/17/776596717.db2.gz YKPMOKWUXKUVCH-PJXYFTJBSA-N 0 3 285.344 -1.822 20 0 CAADHN CCOCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113823698 776598735 /nfs/dbraw/zinc/59/87/35/776598735.db2.gz ZQVGPDBINYSJJF-MPXOCVNLSA-N 0 3 295.339 -1.126 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001113834559 776600097 /nfs/dbraw/zinc/60/00/97/776600097.db2.gz XCYLDGCLEBSGAF-IAZYJMLFSA-N 0 3 296.331 -2.272 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCC[C@H](F)C(=O)C1 ZINC001157730728 776601396 /nfs/dbraw/zinc/60/13/96/776601396.db2.gz RNIYGMZTQOXTEB-VHSXEESVSA-N 0 3 285.319 -1.154 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCC[C@H](F)C(=O)C1 ZINC001157730727 776601965 /nfs/dbraw/zinc/60/19/65/776601965.db2.gz RNIYGMZTQOXTEB-UWVGGRQHSA-N 0 3 285.319 -1.154 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001113849862 776602942 /nfs/dbraw/zinc/60/29/42/776602942.db2.gz NOXLEGXNKPJXSJ-JIOCBJNQSA-N 0 3 281.316 -2.410 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001114033681 776608090 /nfs/dbraw/zinc/60/80/90/776608090.db2.gz BIZMDDZXOBWUEP-XZUYRWCXSA-N 0 3 297.355 -1.680 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114060154 776608802 /nfs/dbraw/zinc/60/88/02/776608802.db2.gz HQIURTCHNLCNND-YABSGUDNSA-N 0 3 299.371 -1.432 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1[C@H]2CN(CCn3cccn3)C[C@H]21 ZINC001114085173 776610290 /nfs/dbraw/zinc/61/02/90/776610290.db2.gz HRAGJNDUMRWIIF-IWIIMEHWSA-N 0 3 277.328 -1.195 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001114098226 776610988 /nfs/dbraw/zinc/61/09/88/776610988.db2.gz FFAAWWYLUKIQGV-GDGBQDQQSA-N 0 3 278.316 -1.800 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114099464 776611185 /nfs/dbraw/zinc/61/11/85/776611185.db2.gz XRRKWCHFJMAAPF-FLNNQWSLSA-N 0 3 294.311 -2.287 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114116572 776613565 /nfs/dbraw/zinc/61/35/65/776613565.db2.gz HYWHMWXJOIUYDK-WOFXILAISA-N 0 3 292.343 -1.470 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001114172150 776614947 /nfs/dbraw/zinc/61/49/47/776614947.db2.gz PBCREVKVSAZEPY-MPXOCVNLSA-N 0 3 294.355 -1.553 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114177694 776615050 /nfs/dbraw/zinc/61/50/50/776615050.db2.gz BZCDYAXTWWWGEV-IWIIMEHWSA-N 0 3 285.344 -1.822 20 0 CAADHN Cn1nncc1C(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114200980 776617113 /nfs/dbraw/zinc/61/71/13/776617113.db2.gz HMGRJLCUHTWOHB-IAZYJMLFSA-N 0 3 295.343 -1.516 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)[C@H]1COC(=O)N1 ZINC001114204062 776617460 /nfs/dbraw/zinc/61/74/60/776617460.db2.gz NMCRQGGAFYFKAX-YTWAJWBKSA-N 0 3 299.327 -1.850 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)n1 ZINC001114216623 776617541 /nfs/dbraw/zinc/61/75/41/776617541.db2.gz ABJRRFTWQOIQTF-URLYPYJESA-N 0 3 295.343 -1.516 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114226957 776617991 /nfs/dbraw/zinc/61/79/91/776617991.db2.gz WIVDJNLCJKXCQA-JZYVYDRUSA-N 0 3 270.333 -1.656 20 0 CAADHN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)NC(N)=O ZINC001114281018 776619342 /nfs/dbraw/zinc/61/93/42/776619342.db2.gz SHSCMYUPDOQLRF-WYOJIJJFSA-N 0 3 270.333 -1.528 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCCC(=O)[C@@H](F)C1 ZINC001157854834 776619489 /nfs/dbraw/zinc/61/94/89/776619489.db2.gz IRMZMYGTHNOSGE-VHSXEESVSA-N 0 3 285.319 -1.154 20 0 CAADHN C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001157844108 776619510 /nfs/dbraw/zinc/61/95/10/776619510.db2.gz VCWATEXZUYWYMC-HLTSFMKQSA-N 0 3 267.337 -1.345 20 0 CAADHN C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001157844108 776619512 /nfs/dbraw/zinc/61/95/12/776619512.db2.gz VCWATEXZUYWYMC-HLTSFMKQSA-N 0 3 267.337 -1.345 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)S(C)(=O)=O)C(=O)N(C)C ZINC001130329895 776652268 /nfs/dbraw/zinc/65/22/68/776652268.db2.gz DPHFCUUGVULNAJ-RKDXNWHRSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)NC(N)=O ZINC001114281016 776619682 /nfs/dbraw/zinc/61/96/82/776619682.db2.gz SHSCMYUPDOQLRF-REIXXSIJSA-N 0 3 270.333 -1.528 20 0 CAADHN C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001157844109 776619929 /nfs/dbraw/zinc/61/99/29/776619929.db2.gz VCWATEXZUYWYMC-VGMNWLOBSA-N 0 3 267.337 -1.345 20 0 CAADHN C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001157844109 776619936 /nfs/dbraw/zinc/61/99/36/776619936.db2.gz VCWATEXZUYWYMC-VGMNWLOBSA-N 0 3 267.337 -1.345 20 0 CAADHN O=C(CO[C@H]1CCOC1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114281727 776619959 /nfs/dbraw/zinc/61/99/59/776619959.db2.gz ZISYXSOQOPDDGU-MEWQQHAOSA-N 0 3 270.329 -1.169 20 0 CAADHN C[C@@H]1CC[C@H](CO)CN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001157855672 776620514 /nfs/dbraw/zinc/62/05/14/776620514.db2.gz PJCJNSUHKKNKKL-WOPDTQHZSA-N 0 3 283.372 -1.064 20 0 CAADHN COCCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129525177 776620525 /nfs/dbraw/zinc/62/05/25/776620525.db2.gz GKMXSCRIFJEEPE-MNOVXSKESA-N 0 3 283.332 -1.352 20 0 CAADHN CN(C)[C@H](C(=O)NCCNCc1nnnn1C)C1CC1 ZINC001129436980 776620917 /nfs/dbraw/zinc/62/09/17/776620917.db2.gz UKHGJVBXNKPQIW-NSHDSACASA-N 0 3 281.364 -1.244 20 0 CAADHN CC(=O)N1C[C@@H](NCCOCCO)[C@@H](n2ccnn2)C1 ZINC001129510859 776621864 /nfs/dbraw/zinc/62/18/64/776621864.db2.gz DRADLSFLOAJGLV-NEPJUHHUSA-N 0 3 283.332 -1.352 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc2n(n1)CCO2)C(N)=O ZINC001129546750 776622451 /nfs/dbraw/zinc/62/24/51/776622451.db2.gz RATAKCYMGHXMAP-SSDOTTSWSA-N 0 3 267.289 -1.531 20 0 CAADHN NC(=O)CNCCNC(=O)CN1CCOCC1=O ZINC001129550280 776622463 /nfs/dbraw/zinc/62/24/63/776622463.db2.gz CXNKHOXQZROREA-UHFFFAOYSA-N 0 3 258.278 -2.964 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn2ccncc12 ZINC001129542496 776622489 /nfs/dbraw/zinc/62/24/89/776622489.db2.gz YNPSYGADXQPQRV-UHFFFAOYSA-N 0 3 276.300 -1.205 20 0 CAADHN Cn1cc(CNCCNC(=O)CN2CCOCC2=O)cn1 ZINC001129546985 776622618 /nfs/dbraw/zinc/62/26/18/776622618.db2.gz UTTCNCAPHZJTFI-UHFFFAOYSA-N 0 3 295.343 -1.515 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cc3n(n2)CCO3)C1=O ZINC001129547158 776622818 /nfs/dbraw/zinc/62/28/18/776622818.db2.gz WYXDFQUCUOHEAX-VIFPVBQESA-N 0 3 293.327 -1.174 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cc2n(n1)CCO2 ZINC001129550287 776622716 /nfs/dbraw/zinc/62/27/16/776622716.db2.gz DFLILBXQPSYMGR-UHFFFAOYSA-N 0 3 281.316 -1.269 20 0 CAADHN NC(=O)NCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129556035 776622772 /nfs/dbraw/zinc/62/27/72/776622772.db2.gz FQISWUMPCDGFHF-BDAKNGLRSA-N 0 3 297.319 -2.720 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cc2n(n1)CCO2 ZINC001129551901 776622864 /nfs/dbraw/zinc/62/28/64/776622864.db2.gz ZFEUHLVIHARQTJ-UHFFFAOYSA-N 0 3 296.287 -2.210 20 0 CAADHN O=C(CNCCNC(=O)c1cc2n(n1)CCO2)N1CCC1 ZINC001129551760 776622875 /nfs/dbraw/zinc/62/28/75/776622875.db2.gz WHLFVQCXWZTAGN-UHFFFAOYSA-N 0 3 293.327 -1.173 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc2n(n1)CCO2 ZINC001129551551 776623015 /nfs/dbraw/zinc/62/30/15/776623015.db2.gz PXXKNPRXLMFQIP-UHFFFAOYSA-N 0 3 267.289 -1.659 20 0 CAADHN O=C(CN1CCOCC1=O)NCCNCC(=O)N1CCC1 ZINC001129547284 776623196 /nfs/dbraw/zinc/62/31/96/776623196.db2.gz YSIZFAYHWTZTRU-UHFFFAOYSA-N 0 3 298.343 -2.217 20 0 CAADHN O=C(CN1CCOCC1=O)NCCN[C@H]1CCCNC1=O ZINC001129570053 776623278 /nfs/dbraw/zinc/62/32/78/776623278.db2.gz OMKGDYWAIXSAST-JTQLQIEISA-N 0 3 298.343 -2.170 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cc2n(n1)CCO2 ZINC001129558292 776623886 /nfs/dbraw/zinc/62/38/86/776623886.db2.gz UWXGHIIFIOLENK-QMMMGPOBSA-N 0 3 281.316 -1.271 20 0 CAADHN Cc1nn(C)cc1CC(=O)NCCNCC(N)=O ZINC001129597303 776623935 /nfs/dbraw/zinc/62/39/35/776623935.db2.gz PVCFEDHJYUQIIB-UHFFFAOYSA-N 0 3 253.306 -1.538 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnc2n[nH]nc2c1 ZINC001129578969 776624297 /nfs/dbraw/zinc/62/42/97/776624297.db2.gz WDZJLGRWIMONPG-SSDOTTSWSA-N 0 3 291.315 -1.193 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn2ncccc12)C(N)=O ZINC001129600733 776624402 /nfs/dbraw/zinc/62/44/02/776624402.db2.gz PFFQWYHLNFTCEU-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CN2CCOCC2=O)C1=O ZINC001129573337 776624727 /nfs/dbraw/zinc/62/47/27/776624727.db2.gz BMTBTEPGGWJOFR-JTQLQIEISA-N 0 3 298.343 -2.218 20 0 CAADHN O=C(CN1CCOCC1=O)NCCN[C@H]1CCNC1=O ZINC001129570629 776624799 /nfs/dbraw/zinc/62/47/99/776624799.db2.gz YCMVIOODSBVVPN-VIFPVBQESA-N 0 3 284.316 -2.561 20 0 CAADHN O=C(CN1CCOCC1=O)NCCN[C@@H]1CCNC1=O ZINC001129570628 776624873 /nfs/dbraw/zinc/62/48/73/776624873.db2.gz YCMVIOODSBVVPN-SECBINFHSA-N 0 3 284.316 -2.561 20 0 CAADHN COCCN[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1n1ccnn1 ZINC001129699554 776625568 /nfs/dbraw/zinc/62/55/68/776625568.db2.gz XYLIZZGYWRMNQP-ZJUUUORDSA-N 0 3 296.331 -1.859 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743073 776626492 /nfs/dbraw/zinc/62/64/92/776626492.db2.gz FMIKVQXVWLNCBG-QMMMGPOBSA-N 0 3 299.331 -2.185 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129751149 776626553 /nfs/dbraw/zinc/62/65/53/776626553.db2.gz VCEVAPDUZYXYHL-RQJHMYQMSA-N 0 3 285.304 -2.575 20 0 CAADHN Cc1ccncc1CC(=O)NCCNCC(=O)NC(N)=O ZINC001129788111 776627197 /nfs/dbraw/zinc/62/71/97/776627197.db2.gz URRCVYJXXPVBJB-UHFFFAOYSA-N 0 3 293.327 -1.167 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743679 776628201 /nfs/dbraw/zinc/62/82/01/776628201.db2.gz SZHOXBITJNEWJR-ZETCQYMHSA-N 0 3 285.304 -2.622 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NCCN[C@H]1CCNC1=O ZINC001129743362 776628316 /nfs/dbraw/zinc/62/83/16/776628316.db2.gz MVJXUEINDHHYNR-BQBZGAKWSA-N 0 3 283.288 -2.821 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1cc(=O)n(C)cn1 ZINC001129810461 776629204 /nfs/dbraw/zinc/62/92/04/776629204.db2.gz YBSIMMSWZRFTMK-UHFFFAOYSA-N 0 3 295.343 -1.422 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001129802437 776629347 /nfs/dbraw/zinc/62/93/47/776629347.db2.gz GTADDBKYDBFJBJ-AXFHLTTASA-N 0 3 285.344 -1.225 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001129825917 776629520 /nfs/dbraw/zinc/62/95/20/776629520.db2.gz OEFSZQRIDKRXGE-MRVPVSSYSA-N 0 3 281.316 -1.636 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129802850 776629562 /nfs/dbraw/zinc/62/95/62/776629562.db2.gz QFSOKBPXWIXTQB-ONGXEEELSA-N 0 3 273.333 -1.368 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(=O)n(C)cn1 ZINC001129809998 776629578 /nfs/dbraw/zinc/62/95/78/776629578.db2.gz NXZOFQPRWNCFNZ-UHFFFAOYSA-N 0 3 267.289 -2.154 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1OCCO[C@H]1C)C(N)=O ZINC001129806174 776629597 /nfs/dbraw/zinc/62/95/97/776629597.db2.gz FMFQWIKZNFKQPG-CIUDSAMLSA-N 0 3 259.306 -1.630 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cc(=O)n(C)cn2)C1=O ZINC001129825743 776629616 /nfs/dbraw/zinc/62/96/16/776629616.db2.gz MAHOAFHOLNPENU-SECBINFHSA-N 0 3 293.327 -1.670 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1OCCO[C@H]1C)C(=O)N(C)C ZINC001129806767 776629667 /nfs/dbraw/zinc/62/96/67/776629667.db2.gz PVSDAVJXVKNYKL-VWYCJHECSA-N 0 3 287.360 -1.027 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1OCCO[C@H]1C)C(N)=O ZINC001129806176 776629695 /nfs/dbraw/zinc/62/96/95/776629695.db2.gz FMFQWIKZNFKQPG-VGMNWLOBSA-N 0 3 259.306 -1.630 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnc2n1CCOC2 ZINC001129889154 776630694 /nfs/dbraw/zinc/63/06/94/776630694.db2.gz SEHAZVZMGRHRJI-SECBINFHSA-N 0 3 295.343 -1.133 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnc2n1CCOC2 ZINC001129889155 776630723 /nfs/dbraw/zinc/63/07/23/776630723.db2.gz SEHAZVZMGRHRJI-VIFPVBQESA-N 0 3 295.343 -1.133 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@]1(CC)CCNC1=O)C(N)=O ZINC001129872198 776630936 /nfs/dbraw/zinc/63/09/36/776630936.db2.gz VNOXDRZYWQTLAL-RNCFNFMXSA-N 0 3 284.360 -1.128 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001129891908 776630869 /nfs/dbraw/zinc/63/08/69/776630869.db2.gz XKLXIHULDKUPLD-RKDXNWHRSA-N 0 3 265.317 -1.035 20 0 CAADHN CC[C@H](NCCNC(=O)c1cnc2n1CCOC2)C(N)=O ZINC001129888867 776630946 /nfs/dbraw/zinc/63/09/46/776630946.db2.gz IKVXICMLELEAEH-VIFPVBQESA-N 0 3 295.343 -1.003 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnc2n1CCOC2 ZINC001129888760 776631011 /nfs/dbraw/zinc/63/10/11/776631011.db2.gz DJQJQSQLUCJGOS-UHFFFAOYSA-N 0 3 295.343 -1.131 20 0 CAADHN CC[C@]1(C(=O)NCCNCC(=O)N2CCC2)CCNC1=O ZINC001129865488 776631042 /nfs/dbraw/zinc/63/10/42/776631042.db2.gz MLNNAZRYLRMHDX-AWEZNQCLSA-N 0 3 296.371 -1.159 20 0 CAADHN CC[C@]1(C(=O)NCCN[C@@H]2CCCNC2=O)CCNC1=O ZINC001129870599 776631086 /nfs/dbraw/zinc/63/10/86/776631086.db2.gz IJOXCUOLSDRNEN-YGRLFVJLSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnc2n1CCOC2)C(N)=O ZINC001129889056 776631107 /nfs/dbraw/zinc/63/11/07/776631107.db2.gz OTSFCTOFHRSXMT-MRVPVSSYSA-N 0 3 281.316 -1.394 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@]1(CC)CCNC1=O ZINC001129870878 776631205 /nfs/dbraw/zinc/63/12/05/776631205.db2.gz LWMJUJMLJLTKKH-ZDUSSCGKSA-N 0 3 284.360 -1.255 20 0 CAADHN CC[C@]1(C(=O)NCCNCC(=O)NC2CC2)CCNC1=O ZINC001129871856 776631309 /nfs/dbraw/zinc/63/13/09/776631309.db2.gz TWQMZEMZNXNZJC-AWEZNQCLSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cnc2n1CCOC2 ZINC001129889212 776631347 /nfs/dbraw/zinc/63/13/47/776631347.db2.gz UKXYDIHZOMCNIQ-UHFFFAOYSA-N 0 3 295.343 -1.179 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@]1(CC)CCNC1=O ZINC001129870873 776631433 /nfs/dbraw/zinc/63/14/33/776631433.db2.gz LWMJUJMLJLTKKH-CYBMUJFWSA-N 0 3 284.360 -1.255 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001129926595 776632097 /nfs/dbraw/zinc/63/20/97/776632097.db2.gz AXNOCXAZTLFFRY-SSDOTTSWSA-N 0 3 284.316 -1.991 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001129897719 776632212 /nfs/dbraw/zinc/63/22/12/776632212.db2.gz OIRCQFANTRXSAJ-HTQZYQBOSA-N 0 3 251.290 -1.296 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129926596 776632402 /nfs/dbraw/zinc/63/24/02/776632402.db2.gz AXNOCXAZTLFFRY-ZETCQYMHSA-N 0 3 284.316 -1.991 20 0 CAADHN Cc1cc(OCC(=O)NCCN[C@@H](C)C(N)=O)no1 ZINC001129913050 776632513 /nfs/dbraw/zinc/63/25/13/776632513.db2.gz NNJVNUSFMLQQSC-QMMMGPOBSA-N 0 3 270.289 -1.059 20 0 CAADHN C[C@@H](NCCNC(=O)C(C)(C)C(N)=O)C(=O)NC1CC1 ZINC001129936244 776632688 /nfs/dbraw/zinc/63/26/88/776632688.db2.gz XXHQHMRNCJBLNL-MRVPVSSYSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@]1(C(=O)NCCN[C@@H]2CCNC2=O)CCNC1=O ZINC001129872377 776632706 /nfs/dbraw/zinc/63/27/06/776632706.db2.gz XBGCJHXOAGWRBM-RNCFNFMXSA-N 0 3 282.344 -1.503 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C(C)(C)C(N)=O ZINC001129927171 776632822 /nfs/dbraw/zinc/63/28/22/776632822.db2.gz NAXOKXPPGGCTBT-UHFFFAOYSA-N 0 3 272.349 -1.270 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C(C)(C)C(N)=O)C1=O ZINC001129926710 776632839 /nfs/dbraw/zinc/63/28/39/776632839.db2.gz FDCWHMKWSHLHIE-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](NCCNC(=O)C(C)(C)C(N)=O)C(=O)N(C)C ZINC001129927633 776632895 /nfs/dbraw/zinc/63/28/95/776632895.db2.gz XEFLFMMJVDVMKP-MRVPVSSYSA-N 0 3 272.349 -1.320 20 0 CAADHN Cc1cc(OCC(=O)NCCNCC(=O)NC(N)=O)no1 ZINC001129913482 776632990 /nfs/dbraw/zinc/63/29/90/776632990.db2.gz ZUJVCQQPUWPVAD-UHFFFAOYSA-N 0 3 299.287 -1.737 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC001129910916 776633025 /nfs/dbraw/zinc/63/30/25/776633025.db2.gz RAWCDKQQLCAEDY-UHFFFAOYSA-N 0 3 292.295 -1.178 20 0 CAADHN Cc1cc(OCC(=O)NCCN[C@H]2CCNC2=O)no1 ZINC001129912918 776633079 /nfs/dbraw/zinc/63/30/79/776633079.db2.gz HXIMSDBSOMWZQF-VIFPVBQESA-N 0 3 282.300 -1.044 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCCNC1=O)N1CCC1 ZINC001129952943 776633690 /nfs/dbraw/zinc/63/36/90/776633690.db2.gz CHCWMCPYEURDFP-JTQLQIEISA-N 0 3 282.344 -1.549 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCNC1=O ZINC001129953283 776634045 /nfs/dbraw/zinc/63/40/45/776634045.db2.gz HFCWWGKUSWEMCO-MRVPVSSYSA-N 0 3 299.331 -2.326 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CCCNC1=O)C1CC1 ZINC001129953639 776634088 /nfs/dbraw/zinc/63/40/88/776634088.db2.gz MQHKVPAUDCEOFI-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCCNC1=O ZINC001129952962 776634104 /nfs/dbraw/zinc/63/41/04/776634104.db2.gz COHRUQJEPRRGTO-DTWKUNHWSA-N 0 3 268.317 -1.893 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCCNC1=O ZINC001129953912 776634320 /nfs/dbraw/zinc/63/43/20/776634320.db2.gz UROYEKZRSPOWDI-SECBINFHSA-N 0 3 270.333 -1.646 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCCNC1=O ZINC001129952843 776634393 /nfs/dbraw/zinc/63/43/93/776634393.db2.gz ABLURTZCDUYJKU-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCCNC1=O ZINC001129953098 776634428 /nfs/dbraw/zinc/63/44/28/776634428.db2.gz DTIBESJIMRNUHE-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCCNCC(=O)N1CCC1 ZINC001129931214 776634477 /nfs/dbraw/zinc/63/44/77/776634477.db2.gz LPZJBVNLVKUAAM-UHFFFAOYSA-N 0 3 270.333 -1.564 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCNC1=O)C(N)=O ZINC001129953606 776634554 /nfs/dbraw/zinc/63/45/54/776634554.db2.gz LXQGLPRCXWKYJL-HTQZYQBOSA-N 0 3 256.306 -1.908 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CCCNC1=O ZINC001129953097 776634718 /nfs/dbraw/zinc/63/47/18/776634718.db2.gz DTIBESJIMRNUHE-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1cncs1 ZINC001129969904 776635385 /nfs/dbraw/zinc/63/53/85/776635385.db2.gz PKCOURXNEOCCRR-UHFFFAOYSA-N 0 3 285.329 -1.414 20 0 CAADHN Cc1ncn(C)c1C(=O)NCCN[C@H](C)C(N)=O ZINC001129960099 776635449 /nfs/dbraw/zinc/63/54/49/776635449.db2.gz ZSZNXMVOYCOPCT-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2CCCNC2=O)C1=O ZINC001129956514 776635524 /nfs/dbraw/zinc/63/55/24/776635524.db2.gz BVBTVKLOJNUSDH-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN Cc1ncn(C)c1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129959830 776635660 /nfs/dbraw/zinc/63/56/60/776635660.db2.gz OQCQULVQMJBHFN-VIFPVBQESA-N 0 3 293.327 -1.147 20 0 CAADHN Cc1ncn(C)c1C(=O)NCCNCC(=O)NC(N)=O ZINC001129959753 776635681 /nfs/dbraw/zinc/63/56/81/776635681.db2.gz LPOPXGPTWHZJJG-UHFFFAOYSA-N 0 3 282.304 -1.757 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCNC1=O)C(=O)NC1CC1 ZINC001129958305 776635719 /nfs/dbraw/zinc/63/57/19/776635719.db2.gz ZVNPXDLGAKTJQW-MWLCHTKSSA-N 0 3 296.371 -1.115 20 0 CAADHN Cc1ncn(C)c1C(=O)NCCN[C@@H](C)C(N)=O ZINC001129960100 776635987 /nfs/dbraw/zinc/63/59/87/776635987.db2.gz ZSZNXMVOYCOPCT-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCCNC1=O)C(N)=O ZINC001129957117 776636000 /nfs/dbraw/zinc/63/60/00/776636000.db2.gz JFXSUFXNBYQYSU-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2CCCNC2=O)C1=O ZINC001129956515 776636076 /nfs/dbraw/zinc/63/60/76/776636076.db2.gz BVBTVKLOJNUSDH-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCNC1=O)C(=O)N(C)C ZINC001129958286 776636129 /nfs/dbraw/zinc/63/61/29/776636129.db2.gz ZQBYRTCBPAUFBR-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN COCCN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129984899 776636197 /nfs/dbraw/zinc/63/61/97/776636197.db2.gz IHDGGVKXYHVSSE-BDAKNGLRSA-N 0 3 282.304 -2.249 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCNC1=O)C(=O)N(C)C ZINC001129958284 776636262 /nfs/dbraw/zinc/63/62/62/776636262.db2.gz ZQBYRTCBPAUFBR-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1c(C)ncn1C ZINC001129959584 776636291 /nfs/dbraw/zinc/63/62/91/776636291.db2.gz DTJJKHHNEGWSQV-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CCCNC1=O ZINC001129954110 776636317 /nfs/dbraw/zinc/63/63/17/776636317.db2.gz YSSOIEFZLHPXFE-UWVGGRQHSA-N 0 3 282.344 -1.503 20 0 CAADHN Cc1cc(=O)c(C(=O)NCCN[C@H]2CCNC2=O)cn1C ZINC001129984284 776636329 /nfs/dbraw/zinc/63/63/29/776636329.db2.gz BYXLADUKAIRQCE-NSHDSACASA-N 0 3 292.339 -1.098 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCNC1=O)C(=O)N(C)C ZINC001129958282 776636341 /nfs/dbraw/zinc/63/63/41/776636341.db2.gz ZQBYRTCBPAUFBR-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn[nH]c(=O)c1 ZINC001129990641 776636843 /nfs/dbraw/zinc/63/68/43/776636843.db2.gz GRABDNOVRSAZFH-UHFFFAOYSA-N 0 3 253.262 -1.752 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn[nH]c(=O)c1)C(=O)NC(N)=O ZINC001129993789 776637242 /nfs/dbraw/zinc/63/72/42/776637242.db2.gz HDIVTKBFKQJEQG-ZCFIWIBFSA-N 0 3 296.287 -1.915 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cn[nH]c(=O)c1 ZINC001129992806 776637311 /nfs/dbraw/zinc/63/73/11/776637311.db2.gz WCLKMSNQNINOJB-UHFFFAOYSA-N 0 3 296.287 -2.043 20 0 CAADHN C[C@H](NCCNC(=O)c1cn[nH]c(=O)c1)C(N)=O ZINC001129990571 776637527 /nfs/dbraw/zinc/63/75/27/776637527.db2.gz FHZFZHHUXFLOHW-LURJTMIESA-N 0 3 253.262 -1.625 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCNCC(=O)N(C)C ZINC001129996602 776637634 /nfs/dbraw/zinc/63/76/34/776637634.db2.gz QJBWMNOCALKZNF-UHFFFAOYSA-N 0 3 269.305 -1.169 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cn[nH]c(=O)c1 ZINC001129991417 776637736 /nfs/dbraw/zinc/63/77/36/776637736.db2.gz XQABWMVOBAAYTM-UHFFFAOYSA-N 0 3 267.289 -1.410 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001129998124 776637775 /nfs/dbraw/zinc/63/77/75/776637775.db2.gz QWLCMXZZWVKRCT-QMMMGPOBSA-N 0 3 281.316 -1.026 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cn[nH]c(=O)c1 ZINC001129991293 776637791 /nfs/dbraw/zinc/63/77/91/776637791.db2.gz UZQZDEATPPDPNH-QMMMGPOBSA-N 0 3 293.283 -1.693 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001129992678 776637832 /nfs/dbraw/zinc/63/78/32/776637832.db2.gz PRCIZFPJNHTTSY-MRVPVSSYSA-N 0 3 265.273 -1.610 20 0 CAADHN CCc1nn(C)cc1C(=O)NCCNCC(=O)NC(N)=O ZINC001130012566 776638003 /nfs/dbraw/zinc/63/80/03/776638003.db2.gz NFCRIAKKHRSTRM-UHFFFAOYSA-N 0 3 296.331 -1.503 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCN[C@H]1CCNC1=O ZINC001129996266 776638046 /nfs/dbraw/zinc/63/80/46/776638046.db2.gz IINOPDZDTSMQIW-ZETCQYMHSA-N 0 3 267.289 -1.368 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCN[C@@H](C)C(N)=O ZINC001129996915 776638076 /nfs/dbraw/zinc/63/80/76/776638076.db2.gz YYPYSZOIQGIMPD-LURJTMIESA-N 0 3 255.278 -1.383 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001129996535 776638091 /nfs/dbraw/zinc/63/80/91/776638091.db2.gz ORGMTKQTKZYJPR-UHFFFAOYSA-N 0 3 269.305 -1.121 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130041279 776638311 /nfs/dbraw/zinc/63/83/11/776638311.db2.gz HKZNFKHNHYKJFH-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C1CC(OC)C1 ZINC001130024476 776638335 /nfs/dbraw/zinc/63/83/35/776638335.db2.gz MHADNPHPHRFCPB-UHFFFAOYSA-N 0 3 286.332 -1.427 20 0 CAADHN CN1CC[C@@H](CC(=O)NCCNCC(N)=O)C1=O ZINC001130041594 776638471 /nfs/dbraw/zinc/63/84/71/776638471.db2.gz QHSXIJJLDJGJRU-QMMMGPOBSA-N 0 3 256.306 -1.954 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccn(CC(F)F)n1 ZINC001130008620 776638512 /nfs/dbraw/zinc/63/85/12/776638512.db2.gz UCQUWIBHTNEAMI-UHFFFAOYSA-N 0 3 275.259 -1.047 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCCC(=O)N1 ZINC001130035159 776639031 /nfs/dbraw/zinc/63/90/31/776639031.db2.gz JLFOYQYNQZIRCP-RKDXNWHRSA-N 0 3 268.317 -1.751 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130035110 776638607 /nfs/dbraw/zinc/63/86/07/776638607.db2.gz GSUYEJDYCJMUOO-SNVBAGLBSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCC(=O)N1)C(N)=O ZINC001130035337 776638664 /nfs/dbraw/zinc/63/86/64/776638664.db2.gz QHSOBAWGDQPVEG-HTQZYQBOSA-N 0 3 256.306 -1.765 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1CCCC(=O)N1 ZINC001130035197 776638691 /nfs/dbraw/zinc/63/86/91/776638691.db2.gz LGWGGFDUIQRINJ-DTWKUNHWSA-N 0 3 296.327 -1.834 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130035125 776638762 /nfs/dbraw/zinc/63/87/62/776638762.db2.gz HWEWHOBKCMIILP-SSDOTTSWSA-N 0 3 285.304 -2.444 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130035331 776639086 /nfs/dbraw/zinc/63/90/86/776639086.db2.gz QCUOJVKAIVFPEA-MRVPVSSYSA-N 0 3 299.331 -2.184 20 0 CAADHN CN1CC[C@@H](CC(=O)NCCN[C@@H]2CCNC2=O)C1=O ZINC001130041572 776639137 /nfs/dbraw/zinc/63/91/37/776639137.db2.gz PJRQOTVDSILDJR-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1CC[C@@H](CC(=O)NCCN[C@H]2CCNC2=O)C1=O ZINC001130041571 776639148 /nfs/dbraw/zinc/63/91/48/776639148.db2.gz PJRQOTVDSILDJR-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN COC1CC(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C1 ZINC001130031025 776639187 /nfs/dbraw/zinc/63/91/87/776639187.db2.gz CCKDHGHRFBGTSA-AFPNSQJFSA-N 0 3 286.332 -1.299 20 0 CAADHN COC1CC(C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001130021844 776639209 /nfs/dbraw/zinc/63/92/09/776639209.db2.gz VRJXVVJTVLBELB-UHFFFAOYSA-N 0 3 293.389 -1.334 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130041069 776639590 /nfs/dbraw/zinc/63/95/90/776639590.db2.gz AGQBOYGYIXBNJD-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130050725 776640409 /nfs/dbraw/zinc/64/04/09/776640409.db2.gz GNYBWFLNEJIGRI-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157903278 776640534 /nfs/dbraw/zinc/64/05/34/776640534.db2.gz FCBHPNKOOGNLPT-FBIMIBRVSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157903278 776640543 /nfs/dbraw/zinc/64/05/43/776640543.db2.gz FCBHPNKOOGNLPT-FBIMIBRVSA-N 0 3 268.317 -1.519 20 0 CAADHN Cn1ccnc1COCC(=O)NCCN[C@@H]1CCNC1=O ZINC001130038378 776640586 /nfs/dbraw/zinc/64/05/86/776640586.db2.gz BCTUTHWTGFEXFR-SNVBAGLBSA-N 0 3 295.343 -1.469 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@H]1CCN(C)C1=O)C(N)=O ZINC001130052187 776640844 /nfs/dbraw/zinc/64/08/44/776640844.db2.gz ZAHFQNRPTVSZHB-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)COCc1nccn1C ZINC001130038442 776640705 /nfs/dbraw/zinc/64/07/05/776640705.db2.gz DUPWPBKYHZCSSW-SNVBAGLBSA-N 0 3 297.359 -1.223 20 0 CAADHN CN1CC[C@H](CC(=O)NCCN[C@@H]2CCCNC2=O)C1=O ZINC001130048330 776640768 /nfs/dbraw/zinc/64/07/68/776640768.db2.gz QOFOEFXNNRUNAO-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCCC(=O)N1)C(N)=O ZINC001130037855 776640914 /nfs/dbraw/zinc/64/09/14/776640914.db2.gz YSHMUAHVPXPPIU-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)COCc1nccn1C ZINC001130038441 776640951 /nfs/dbraw/zinc/64/09/51/776640951.db2.gz DUPWPBKYHZCSSW-JTQLQIEISA-N 0 3 297.359 -1.223 20 0 CAADHN C[C@H](NCCNC(=O)COCc1nccn1C)C(N)=O ZINC001130038593 776641154 /nfs/dbraw/zinc/64/11/54/776641154.db2.gz LJQWXDHBUXHZSG-VIFPVBQESA-N 0 3 283.332 -1.484 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCC(=O)N1)C(=O)N(C)C ZINC001130037382 776641190 /nfs/dbraw/zinc/64/11/90/776641190.db2.gz KQHLNJRQHMLFQT-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CN1CC[C@@H](CC(=O)NCCN[C@H]2CCN(C)C2=O)C1=O ZINC001130050618 776641276 /nfs/dbraw/zinc/64/12/76/776641276.db2.gz DJEUTNQBPNMBBT-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2CCCC(=O)N2)C1=O ZINC001130037232 776641306 /nfs/dbraw/zinc/64/13/06/776641306.db2.gz JAMMHVAIUOFTND-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCOc1cc(C(=O)NCCNCC(N)=O)[nH]n1 ZINC001130106815 776641735 /nfs/dbraw/zinc/64/17/35/776641735.db2.gz DXNNCFQTPPJLDP-UHFFFAOYSA-N 0 3 255.278 -1.387 20 0 CAADHN CNC(=O)CNCCNC(=O)COCc1cc(C)on1 ZINC001130114529 776641688 /nfs/dbraw/zinc/64/16/88/776641688.db2.gz QJEORMUASGOKBS-UHFFFAOYSA-N 0 3 284.316 -1.049 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)COCc1ccnn1C ZINC001130120281 776641798 /nfs/dbraw/zinc/64/17/98/776641798.db2.gz ACBHCTHXRVMJOJ-UHFFFAOYSA-N 0 3 297.359 -1.269 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccnn1CCOC ZINC001130069651 776641839 /nfs/dbraw/zinc/64/18/39/776641839.db2.gz FAUSZDFWTVBFMS-JTQLQIEISA-N 0 3 297.359 -1.017 20 0 CAADHN CNC(=O)CNCCNC(=O)COCc1cc(C)no1 ZINC001130118436 776641904 /nfs/dbraw/zinc/64/19/04/776641904.db2.gz ZYTPGKLNMRHUCY-UHFFFAOYSA-N 0 3 284.316 -1.049 20 0 CAADHN Cc1noc(C(=O)NCCNCC(=O)NC(N)=O)c1C ZINC001130068980 776642027 /nfs/dbraw/zinc/64/20/27/776642027.db2.gz ZRCCFRPBAZMNNJ-UHFFFAOYSA-N 0 3 283.288 -1.194 20 0 CAADHN COCCn1nccc1C(=O)NCCN[C@H]1CCNC1=O ZINC001130068763 776642153 /nfs/dbraw/zinc/64/21/53/776642153.db2.gz UOSBBFVTQDEGPJ-JTQLQIEISA-N 0 3 295.343 -1.263 20 0 CAADHN C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001157913820 776642185 /nfs/dbraw/zinc/64/21/85/776642185.db2.gz BIHSAQLIFHAXQL-DCAQKATOSA-N 0 3 269.345 -1.311 20 0 CAADHN Cn1nccc1COCC(=O)NCCNCC(N)=O ZINC001130121175 776642198 /nfs/dbraw/zinc/64/21/98/776642198.db2.gz RNOVRVGNJDYOLW-UHFFFAOYSA-N 0 3 269.305 -1.872 20 0 CAADHN O=C(NCC[NH2+][C@H]1CCC(=O)NC1=O)c1cnc[n-]c1=O ZINC001130079220 776642259 /nfs/dbraw/zinc/64/22/59/776642259.db2.gz YLYZMKHJKCKRKI-QMMMGPOBSA-N 0 3 293.283 -1.693 20 0 CAADHN COC[C@H](O)C[NH2+]CCNC(=O)c1cnc[n-]c1=O ZINC001130072423 776642304 /nfs/dbraw/zinc/64/23/04/776642304.db2.gz LNWRZKYNFOMSAN-MRVPVSSYSA-N 0 3 270.289 -1.491 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc2nc[nH]c2n1 ZINC001130127028 776642374 /nfs/dbraw/zinc/64/23/74/776642374.db2.gz QWKIJXRROSTXDC-UHFFFAOYSA-N 0 3 262.273 -1.237 20 0 CAADHN COC[C@@H](O)C[NH2+]CCNC(=O)c1cnc[n-]c1=O ZINC001130072424 776642392 /nfs/dbraw/zinc/64/23/92/776642392.db2.gz LNWRZKYNFOMSAN-QMMMGPOBSA-N 0 3 270.289 -1.491 20 0 CAADHN Cc1cnc2nc(C(=O)NCCNCC(N)=O)nn2c1 ZINC001130074623 776642400 /nfs/dbraw/zinc/64/24/00/776642400.db2.gz YFLPRTQGTRUYMO-UHFFFAOYSA-N 0 3 277.288 -1.763 20 0 CAADHN COCCn1nccc1C(=O)NCCNCC(=O)N(C)C ZINC001130068997 776642430 /nfs/dbraw/zinc/64/24/30/776642430.db2.gz ZZGHSJVYPQKKRW-UHFFFAOYSA-N 0 3 297.359 -1.063 20 0 CAADHN CCNC(=O)CNCCNC(=O)COCc1ccnn1C ZINC001130120614 776642537 /nfs/dbraw/zinc/64/25/37/776642537.db2.gz KBYKTYNKJPLQTG-UHFFFAOYSA-N 0 3 297.359 -1.221 20 0 CAADHN Cc1nc(C(=O)NCCNCC(N)=O)c(=O)[nH]c1C ZINC001130124025 776642638 /nfs/dbraw/zinc/64/26/38/776642638.db2.gz AGWIRBWPNPIMCE-UHFFFAOYSA-N 0 3 267.289 -1.396 20 0 CAADHN CCOc1cc(C(=O)NCCNCC(=O)NC(N)=O)[nH]n1 ZINC001130107579 776642659 /nfs/dbraw/zinc/64/26/59/776642659.db2.gz YMTAORKJGQODJU-UHFFFAOYSA-N 0 3 298.303 -1.677 20 0 CAADHN CNC(=O)CNCCNC(=O)c1nc2ncc(C)cn2n1 ZINC001130074514 776642774 /nfs/dbraw/zinc/64/27/74/776642774.db2.gz XECSJPRMDHXUNO-UHFFFAOYSA-N 0 3 291.315 -1.502 20 0 CAADHN O=C(NCC[NH2+][C@@H]1CCC(=O)NC1=O)c1cnc[n-]c1=O ZINC001130079219 776642847 /nfs/dbraw/zinc/64/28/47/776642847.db2.gz YLYZMKHJKCKRKI-MRVPVSSYSA-N 0 3 293.283 -1.693 20 0 CAADHN C[C@@H](NCCNC(=O)COCc1ccnn1C)C(N)=O ZINC001130121479 776643762 /nfs/dbraw/zinc/64/37/62/776643762.db2.gz WSVMOVFVGOWSFB-SECBINFHSA-N 0 3 283.332 -1.484 20 0 CAADHN C[C@H](NCCNC(=O)COCc1ccnn1C)C(N)=O ZINC001130121480 776643954 /nfs/dbraw/zinc/64/39/54/776643954.db2.gz WSVMOVFVGOWSFB-VIFPVBQESA-N 0 3 283.332 -1.484 20 0 CAADHN C[C@H](NCCNC(=O)[C@@]1(C)CCNC(=O)C1)C(N)=O ZINC001130203589 776644186 /nfs/dbraw/zinc/64/41/86/776644186.db2.gz QGDRWWLXBPRHFC-UFBFGSQYSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)CNCCNC(=O)COCc1ccnn1C ZINC001130121536 776644245 /nfs/dbraw/zinc/64/42/45/776644245.db2.gz ZJAWAGNIAPGNPR-UHFFFAOYSA-N 0 3 283.332 -1.612 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCNC2=O)CCNC(=O)C1 ZINC001130203119 776644319 /nfs/dbraw/zinc/64/43/19/776644319.db2.gz FKBARXGHYQUHKU-NOZJJQNGSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCN[C@H]2CCN(C)C2=O)O1 ZINC001130182490 776644506 /nfs/dbraw/zinc/64/45/06/776644506.db2.gz KIOCVBVUBNIIMU-GRYCIOLGSA-N 0 3 298.387 -1.358 20 0 CAADHN Cc1nn[nH]c1C(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090482994 776644615 /nfs/dbraw/zinc/64/46/15/776644615.db2.gz PAHVHNCUYGZNKX-NXEZZACHSA-N 0 3 283.332 -1.339 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCN[C@H]2CCCNC2=O)O1 ZINC001130182422 776644840 /nfs/dbraw/zinc/64/48/40/776644840.db2.gz HAXPWGRLXMDEHY-GRYCIOLGSA-N 0 3 298.387 -1.310 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CCNC(=O)C1)C(N)=O ZINC001130203588 776645135 /nfs/dbraw/zinc/64/51/35/776645135.db2.gz QGDRWWLXBPRHFC-QPUJVOFHSA-N 0 3 270.333 -1.518 20 0 CAADHN Cc1nn[nH]c1C(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090482997 776645161 /nfs/dbraw/zinc/64/51/61/776645161.db2.gz PAHVHNCUYGZNKX-UWVGGRQHSA-N 0 3 283.332 -1.339 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)O1 ZINC001130182423 776645307 /nfs/dbraw/zinc/64/53/07/776645307.db2.gz HAXPWGRLXMDEHY-IJLUTSLNSA-N 0 3 298.387 -1.310 20 0 CAADHN C[C@]1(C(=O)NCCN[C@H]2CCNC2=O)CCNC(=O)C1 ZINC001130203122 776645371 /nfs/dbraw/zinc/64/53/71/776645371.db2.gz FKBARXGHYQUHKU-ZANVPECISA-N 0 3 282.344 -1.503 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@]1(C)CCNC(=O)C1)C(N)=O ZINC001130208863 776645997 /nfs/dbraw/zinc/64/59/97/776645997.db2.gz WEJGJLWZSPLUEL-NOZJJQNGSA-N 0 3 284.360 -1.128 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001130248608 776646102 /nfs/dbraw/zinc/64/61/02/776646102.db2.gz LTUWBQQULYUWJI-UHFFFAOYSA-N 0 3 293.327 -1.825 20 0 CAADHN Cc1cn2c(n1)C[C@H](C(=O)NCCNCC(N)=O)CC2 ZINC001130245154 776646333 /nfs/dbraw/zinc/64/63/33/776646333.db2.gz XJKFQKPDBOLRHW-SNVBAGLBSA-N 0 3 279.344 -1.055 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157933820 776646669 /nfs/dbraw/zinc/64/66/69/776646669.db2.gz DLKJNQWDJCIMFO-NXOGIQQBSA-N 0 3 278.374 -1.716 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn2c(n1)COCC2 ZINC001130248616 776646724 /nfs/dbraw/zinc/64/67/24/776646724.db2.gz MAMJTKVPMYTVQR-UHFFFAOYSA-N 0 3 281.316 -1.521 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)N2CCC2)CCNC(=O)C1 ZINC001130201168 776647120 /nfs/dbraw/zinc/64/71/20/776647120.db2.gz XAASJNVBIKDVIY-CQSZACIVSA-N 0 3 296.371 -1.159 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cn2c(n1)COCC2 ZINC001130250794 776648045 /nfs/dbraw/zinc/64/80/45/776648045.db2.gz MEECHAWIODFZOB-VIFPVBQESA-N 0 3 295.343 -1.133 20 0 CAADHN COc1cc(OC)nc(C(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001130287127 776648791 /nfs/dbraw/zinc/64/87/91/776648791.db2.gz SWZHZYVAERRAQE-SSDOTTSWSA-N 0 3 297.315 -1.313 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934995 776648919 /nfs/dbraw/zinc/64/89/19/776648919.db2.gz PZRBWCNVCAJGCJ-LSJOCFKGSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934995 776648923 /nfs/dbraw/zinc/64/89/23/776648923.db2.gz PZRBWCNVCAJGCJ-LSJOCFKGSA-N 0 3 268.317 -1.519 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cn2c(n1)COCC2 ZINC001130250793 776648960 /nfs/dbraw/zinc/64/89/60/776648960.db2.gz MEECHAWIODFZOB-SECBINFHSA-N 0 3 295.343 -1.133 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001130262337 776649212 /nfs/dbraw/zinc/64/92/12/776649212.db2.gz XYTKENQSYXDARI-SFYZADRCSA-N 0 3 299.249 -1.476 20 0 CAADHN Cn1ncc(C(=O)NCCNCC(N)=O)c1Cl ZINC001130300918 776649222 /nfs/dbraw/zinc/64/92/22/776649222.db2.gz YALNUHRCDKRDDU-UHFFFAOYSA-N 0 3 259.697 -1.122 20 0 CAADHN CS(=O)(=O)CCC(=O)NCCN[C@H]1CCCNC1=O ZINC001130327033 776650560 /nfs/dbraw/zinc/65/05/60/776650560.db2.gz IQXJKLQAIJAOQR-VIFPVBQESA-N 0 3 291.373 -1.595 20 0 CAADHN C[C@]1(CO)CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C[C@H]1O ZINC001157944814 776651192 /nfs/dbraw/zinc/65/11/92/776651192.db2.gz KJQMNHLEFTYRAP-DMDPSCGWSA-N 0 3 299.371 -2.091 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H](C)S(C)(=O)=O)C(N)=O ZINC001130329827 776651222 /nfs/dbraw/zinc/65/12/22/776651222.db2.gz CIZUXBCWHCEGNE-YUMQZZPRSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@@H](C(=O)NCCN[C@@H]1CCCNC1=O)S(C)(=O)=O ZINC001130327382 776651385 /nfs/dbraw/zinc/65/13/85/776651385.db2.gz WCOHAFSVBXWAKC-DTWKUNHWSA-N 0 3 291.373 -1.596 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001130362345 776651591 /nfs/dbraw/zinc/65/15/91/776651591.db2.gz ORABVYGLGNSXIM-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN C[C@]1(CO)CCN(C(=O)[C@H]2COC3(CNC3)CN2)C[C@H]1O ZINC001157944823 776651610 /nfs/dbraw/zinc/65/16/10/776651610.db2.gz KJQMNHLEFTYRAP-NQBHXWOUSA-N 0 3 299.371 -2.091 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H](C)S(C)(=O)=O)C(N)=O ZINC001130329822 776651671 /nfs/dbraw/zinc/65/16/71/776651671.db2.gz CIZUXBCWHCEGNE-HTQZYQBOSA-N 0 3 279.362 -1.611 20 0 CAADHN NC(=O)c1cccc(C(=O)NCCN[C@@H]2CCNC2=O)c1 ZINC001130362272 776651780 /nfs/dbraw/zinc/65/17/80/776651780.db2.gz MTUGIZHWMZZIGD-LLVKDONJSA-N 0 3 290.323 -1.007 20 0 CAADHN C[C@@H](C(=O)NCCN[C@H]1CCCNC1=O)S(C)(=O)=O ZINC001130327383 776651978 /nfs/dbraw/zinc/65/19/78/776651978.db2.gz WCOHAFSVBXWAKC-IUCAKERBSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@H](C(=O)NCCN[C@H]1CCCNC1=O)S(C)(=O)=O ZINC001130327381 776651988 /nfs/dbraw/zinc/65/19/88/776651988.db2.gz WCOHAFSVBXWAKC-BDAKNGLRSA-N 0 3 291.373 -1.596 20 0 CAADHN NC(=O)c1cccc(C(=O)NCCN[C@H]2CCNC2=O)c1 ZINC001130362273 776652089 /nfs/dbraw/zinc/65/20/89/776652089.db2.gz MTUGIZHWMZZIGD-NSHDSACASA-N 0 3 290.323 -1.007 20 0 CAADHN NC(=O)CC(=O)NCc1c[nH]nc1[C@@H]1CCN(CCO)C1 ZINC001130375433 776652668 /nfs/dbraw/zinc/65/26/68/776652668.db2.gz BRLBJEWYWYIGAZ-SECBINFHSA-N 0 3 295.343 -1.317 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccn(C)c(=O)c1 ZINC001130374305 776653179 /nfs/dbraw/zinc/65/31/79/776653179.db2.gz NOJVULRAIRQOGE-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccn(C)c(=O)c1)C(N)=O ZINC001130376476 776653214 /nfs/dbraw/zinc/65/32/14/776653214.db2.gz VYBHUGOBGNFIFY-SNVBAGLBSA-N 0 3 280.328 -1.031 20 0 CAADHN C[C@@]1(CO)CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)C[C@@H]1O ZINC001157946460 776653260 /nfs/dbraw/zinc/65/32/60/776653260.db2.gz NIGQLMCKQJJZFW-GVXVVHGQSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@@]1(CO)CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)C[C@@H]1O ZINC001157946460 776653266 /nfs/dbraw/zinc/65/32/66/776653266.db2.gz NIGQLMCKQJJZFW-GVXVVHGQSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@]1(CO)CCN(C(=O)[C@H](N)Cc2c[nH]cn2)C[C@H]1O ZINC001157946462 776653326 /nfs/dbraw/zinc/65/33/26/776653326.db2.gz NIGQLMCKQJJZFW-NQBHXWOUSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@]1(CO)CCN(C(=O)[C@H](N)Cc2cnc[nH]2)C[C@H]1O ZINC001157946462 776653330 /nfs/dbraw/zinc/65/33/30/776653330.db2.gz NIGQLMCKQJJZFW-NQBHXWOUSA-N 0 3 282.344 -1.129 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2ccn(C)c(=O)c2)C1=O ZINC001130375347 776653502 /nfs/dbraw/zinc/65/35/02/776653502.db2.gz DCKHHSOLXMPXHL-LLVKDONJSA-N 0 3 292.339 -1.065 20 0 CAADHN NC(=O)CC(=O)NCc1c[nH]nc1[C@H]1CCN(CCO)C1 ZINC001130375434 776653508 /nfs/dbraw/zinc/65/35/08/776653508.db2.gz BRLBJEWYWYIGAZ-VIFPVBQESA-N 0 3 295.343 -1.317 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnc2ccccn2c1=O ZINC001130352076 776653530 /nfs/dbraw/zinc/65/35/30/776653530.db2.gz QYNSIUDFFCPNPI-UHFFFAOYSA-N 0 3 289.295 -1.501 20 0 CAADHN CN1CC[C@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001130363655 776653534 /nfs/dbraw/zinc/65/35/34/776653534.db2.gz BFGXMIQFMANIHV-QMMMGPOBSA-N 0 3 256.306 -1.954 20 0 CAADHN C[C@]1(CO)CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)C[C@H]1O ZINC001157946458 776653541 /nfs/dbraw/zinc/65/35/41/776653541.db2.gz NIGQLMCKQJJZFW-DMDPSCGWSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@]1(CO)CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)C[C@H]1O ZINC001157946458 776653543 /nfs/dbraw/zinc/65/35/43/776653543.db2.gz NIGQLMCKQJJZFW-DMDPSCGWSA-N 0 3 282.344 -1.129 20 0 CAADHN Cn1ccc(C(=O)NCCN[C@@H]2CCCNC2=O)cc1=O ZINC001130379031 776653547 /nfs/dbraw/zinc/65/35/47/776653547.db2.gz GRERPYRCMVJEMZ-LLVKDONJSA-N 0 3 292.339 -1.017 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001130363603 776653638 /nfs/dbraw/zinc/65/36/38/776653638.db2.gz ANPLEBUKYJHWNS-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@]1(CO)CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)C[C@H]1O ZINC001157946461 776653656 /nfs/dbraw/zinc/65/36/56/776653656.db2.gz NIGQLMCKQJJZFW-LOWVWBTDSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@@]1(CO)CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)C[C@H]1O ZINC001157946461 776653659 /nfs/dbraw/zinc/65/36/59/776653659.db2.gz NIGQLMCKQJJZFW-LOWVWBTDSA-N 0 3 282.344 -1.129 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCN(C)C(=O)C1)C(N)=O ZINC001130367967 776654409 /nfs/dbraw/zinc/65/44/09/776654409.db2.gz ZVVPXTYEGYQJSB-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCN(C)C(=O)C1)C(N)=O ZINC001130364810 776654459 /nfs/dbraw/zinc/65/44/59/776654459.db2.gz VHXCOVAOSHWOCX-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CN1CC[C@H](C(=O)NCCNCC(=O)NC2CC2)CC1=O ZINC001130364812 776654479 /nfs/dbraw/zinc/65/44/79/776654479.db2.gz VIEZSMLFIHTOKT-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN[C@H](C)C(N)=O ZINC001130381657 776655083 /nfs/dbraw/zinc/65/50/83/776655083.db2.gz HAUKYAFTFWYXLI-SSDOTTSWSA-N 0 3 287.320 -3.182 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCN(C)C(=O)C1)C(N)=O ZINC001130364811 776655128 /nfs/dbraw/zinc/65/51/28/776655128.db2.gz VHXCOVAOSHWOCX-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCN(C)C(=O)C1)C(N)=O ZINC001130367968 776655158 /nfs/dbraw/zinc/65/51/58/776655158.db2.gz ZVVPXTYEGYQJSB-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN[C@H]1CCNC1=O ZINC001130381606 776655209 /nfs/dbraw/zinc/65/52/09/776655209.db2.gz DQKKDZUQBPGNQD-VIFPVBQESA-N 0 3 299.331 -3.167 20 0 CAADHN COCc1nn(C)cc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001130445221 776656115 /nfs/dbraw/zinc/65/61/15/776656115.db2.gz DDFLBTSQNHXVMQ-SNVBAGLBSA-N 0 3 295.343 -1.226 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001130442054 776656345 /nfs/dbraw/zinc/65/63/45/776656345.db2.gz NFOHLEIYJUKIKO-ZETCQYMHSA-N 0 3 282.304 -2.263 20 0 CAADHN COCc1nn(C)cc1C(=O)NCCN[C@H]1CCNC1=O ZINC001130445220 776656380 /nfs/dbraw/zinc/65/63/80/776656380.db2.gz DDFLBTSQNHXVMQ-JTQLQIEISA-N 0 3 295.343 -1.226 20 0 CAADHN NC(=O)C(=O)NCc1c[nH]nc1[C@H]1CCN(CCO)C1 ZINC001130418595 776656583 /nfs/dbraw/zinc/65/65/83/776656583.db2.gz SFSJSYYDSMXODF-QMMMGPOBSA-N 0 3 281.316 -1.707 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(C)nc1COC ZINC001130445363 776656650 /nfs/dbraw/zinc/65/66/50/776656650.db2.gz KBGPOUUNMBDISB-UHFFFAOYSA-N 0 3 283.332 -1.368 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCNC/C=C\Cl ZINC001130384332 776656678 /nfs/dbraw/zinc/65/66/78/776656678.db2.gz CTYSMBVSZVNHBC-IHWYPQMZSA-N 0 3 290.751 -1.303 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCc2cncn2C1 ZINC001130488599 776657238 /nfs/dbraw/zinc/65/72/38/776657238.db2.gz SEQVCSJFJMOYNM-SECBINFHSA-N 0 3 265.317 -1.363 20 0 CAADHN C[C@@H]1C[C@@H](C(=O)NCCNCCNS(C)(=O)=O)CO1 ZINC001130507297 776657312 /nfs/dbraw/zinc/65/73/12/776657312.db2.gz CRXRUFLMGRIROC-NXEZZACHSA-N 0 3 293.389 -1.334 20 0 CAADHN C[C@H]1C[C@@H](C(=O)NCCNCCNS(C)(=O)=O)CO1 ZINC001130507299 776657568 /nfs/dbraw/zinc/65/75/68/776657568.db2.gz CRXRUFLMGRIROC-VHSXEESVSA-N 0 3 293.389 -1.334 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001130481628 776657599 /nfs/dbraw/zinc/65/75/99/776657599.db2.gz XUGQTQGZVZJOLT-JTQLQIEISA-N 0 3 279.344 -1.103 20 0 CAADHN Cc1nn[n-]c1C(=O)N[C@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090484761 776657616 /nfs/dbraw/zinc/65/76/16/776657616.db2.gz DBKWMQHIYIBMPI-IUCAKERBSA-N 0 3 269.305 -1.730 20 0 CAADHN Cc1nn[n-]c1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090484761 776657619 /nfs/dbraw/zinc/65/76/19/776657619.db2.gz DBKWMQHIYIBMPI-IUCAKERBSA-N 0 3 269.305 -1.730 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC2N=NC(=O)N2C1)C(N)=O ZINC001130445841 776657693 /nfs/dbraw/zinc/65/76/93/776657693.db2.gz WTCHWNHGWBGCBK-YUMQZZPRSA-N 0 3 296.331 -1.874 20 0 CAADHN Cc1nn[n-]c1C(=O)N[C@@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090484762 776657712 /nfs/dbraw/zinc/65/77/12/776657712.db2.gz DBKWMQHIYIBMPI-RKDXNWHRSA-N 0 3 269.305 -1.730 20 0 CAADHN Cc1nn[n-]c1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090484762 776657715 /nfs/dbraw/zinc/65/77/15/776657715.db2.gz DBKWMQHIYIBMPI-RKDXNWHRSA-N 0 3 269.305 -1.730 20 0 CAADHN CO[C@@H]1CCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001130499376 776657747 /nfs/dbraw/zinc/65/77/47/776657747.db2.gz DAYGGSOKNVTZOJ-RKDXNWHRSA-N 0 3 286.332 -1.298 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001130480720 776657877 /nfs/dbraw/zinc/65/78/77/776657877.db2.gz AZOUPCZZDUYRQN-SECBINFHSA-N 0 3 265.317 -1.363 20 0 CAADHN C[C@@H]1C[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)CO1 ZINC001130503074 776657977 /nfs/dbraw/zinc/65/79/77/776657977.db2.gz FNVGBHSJDUVIHJ-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN Cc1nn[n-]c1C(=O)N[C@@H]1CC[N@H+](CCO)C[C@@H]1O ZINC001090484755 776658012 /nfs/dbraw/zinc/65/80/12/776658012.db2.gz DBKWMQHIYIBMPI-BDAKNGLRSA-N 0 3 269.305 -1.730 20 0 CAADHN Cc1nn[n-]c1C(=O)N[C@@H]1CC[N@@H+](CCO)C[C@@H]1O ZINC001090484755 776658016 /nfs/dbraw/zinc/65/80/16/776658016.db2.gz DBKWMQHIYIBMPI-BDAKNGLRSA-N 0 3 269.305 -1.730 20 0 CAADHN COCc1nn(C)cc1C(=O)NCCN[C@H](C)C(N)=O ZINC001130449102 776658093 /nfs/dbraw/zinc/65/80/93/776658093.db2.gz RJBSJBCVHYTLNK-MRVPVSSYSA-N 0 3 283.332 -1.240 20 0 CAADHN C[C@H]1C[C@H](C(=O)NCCNCC(=O)NC(N)=O)CO1 ZINC001130505487 776658186 /nfs/dbraw/zinc/65/81/86/776658186.db2.gz XSYMFQYAHASJEZ-YUMQZZPRSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CO1 ZINC001130505485 776658222 /nfs/dbraw/zinc/65/82/22/776658222.db2.gz XSYMFQYAHASJEZ-JGVFFNPUSA-N 0 3 272.305 -1.688 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553351 776659193 /nfs/dbraw/zinc/65/91/93/776659193.db2.gz FQAPCKLRAHVMMN-UHFFFAOYSA-N 0 3 299.375 -2.398 20 0 CAADHN CC[C@H](C)[C@H](OC)C(=O)NCCNCC(=O)NC(N)=O ZINC001130514378 776659283 /nfs/dbraw/zinc/65/92/83/776659283.db2.gz BGIIIRKZGPWMNJ-WPRPVWTQSA-N 0 3 288.348 -1.052 20 0 CAADHN CO[C@@H]1CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001130543471 776659749 /nfs/dbraw/zinc/65/97/49/776659749.db2.gz AKRRKDIEZHASJD-DTWKUNHWSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@]1(O)CCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001157998300 776659930 /nfs/dbraw/zinc/65/99/30/776659930.db2.gz VSVPTRGYHQCFPG-KOLCDFICSA-N 0 3 255.318 -1.700 20 0 CAADHN Cn1cnn(CC(=O)NCCN[C@@H]2CCCNC2=O)c1=O ZINC001130587868 776660464 /nfs/dbraw/zinc/66/04/64/776660464.db2.gz CYCPFHMXFSVVME-SECBINFHSA-N 0 3 296.331 -2.434 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1ncn(C)c1=O ZINC001130588386 776660558 /nfs/dbraw/zinc/66/05/58/776660558.db2.gz SWADFHKZJDDYPK-QMMMGPOBSA-N 0 3 284.320 -2.578 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001130587918 776660572 /nfs/dbraw/zinc/66/05/72/776660572.db2.gz FSOUUAZSLGIJJM-MRVPVSSYSA-N 0 3 284.320 -2.449 20 0 CAADHN Cn1cnn(CC(=O)NCCN[C@H]2CCCNC2=O)c1=O ZINC001130587869 776660621 /nfs/dbraw/zinc/66/06/21/776660621.db2.gz CYCPFHMXFSVVME-VIFPVBQESA-N 0 3 296.331 -2.434 20 0 CAADHN Cn1cnn(CC(=O)NCCN[C@H]2CCN(C)C2=O)c1=O ZINC001130587821 776661309 /nfs/dbraw/zinc/66/13/09/776661309.db2.gz BKIGQSBKNXLXMA-VIFPVBQESA-N 0 3 296.331 -2.482 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001130612078 776662197 /nfs/dbraw/zinc/66/21/97/776662197.db2.gz LUWJXSIDCFBWHM-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001130612434 776662229 /nfs/dbraw/zinc/66/22/29/776662229.db2.gz QQRFWHAJLLKOIW-NXEZZACHSA-N 0 3 272.349 -1.713 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001130612435 776662430 /nfs/dbraw/zinc/66/24/30/776662430.db2.gz QQRFWHAJLLKOIW-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN Cn1cnn(CC(=O)NCCNCC(=O)NC2CC2)c1=O ZINC001130591233 776662577 /nfs/dbraw/zinc/66/25/77/776662577.db2.gz YFGZOAUVZREZSB-UHFFFAOYSA-N 0 3 296.331 -2.434 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)Cn1ncn(C)c1=O ZINC001130591083 776662665 /nfs/dbraw/zinc/66/26/65/776662665.db2.gz RPPBRIUXFHQNDB-UHFFFAOYSA-N 0 3 298.347 -2.234 20 0 CAADHN Cn1cnn(CC(=O)NCCNCC(=O)N2CCC2)c1=O ZINC001130590653 776662694 /nfs/dbraw/zinc/66/26/94/776662694.db2.gz BDCJPHACWBSAKI-UHFFFAOYSA-N 0 3 296.331 -2.480 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCNCC(=O)NC ZINC001130611903 776662773 /nfs/dbraw/zinc/66/27/73/776662773.db2.gz JSGLSDMGEYTDSU-SNVBAGLBSA-N 0 3 272.349 -1.841 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC ZINC001130615929 776663975 /nfs/dbraw/zinc/66/39/75/776663975.db2.gz VWLAUMYDPMSFKU-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001130615942 776664081 /nfs/dbraw/zinc/66/40/81/776664081.db2.gz WDCAMOFRGLALNI-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC ZINC001130615931 776664135 /nfs/dbraw/zinc/66/41/35/776664135.db2.gz VWLAUMYDPMSFKU-WDEREUQCSA-N 0 3 286.376 -1.453 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1COCCN1CC)C(N)=O ZINC001130615031 776664438 /nfs/dbraw/zinc/66/44/38/776664438.db2.gz HSIYPCVSIJYZMB-WDEREUQCSA-N 0 3 286.376 -1.323 20 0 CAADHN CC[C@H](NCCNC(=O)C(=O)NCC(F)F)C(N)=O ZINC001130642876 776664471 /nfs/dbraw/zinc/66/44/71/776664471.db2.gz GRRUKKDOPPCEMI-LURJTMIESA-N 0 3 280.275 -1.663 20 0 CAADHN CN(C)Cc1cc(C(=O)NCCN[C@H]2CCNC2=O)no1 ZINC001130645463 776665201 /nfs/dbraw/zinc/66/52/01/776665201.db2.gz LPOSSWPWKIZDJK-JTQLQIEISA-N 0 3 295.343 -1.056 20 0 CAADHN COCCN1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001090489397 776665307 /nfs/dbraw/zinc/66/53/07/776665307.db2.gz KZOFLZVQLMDEEP-GXSJLCMTSA-N 0 3 298.343 -1.063 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn(CCF)c1 ZINC001130661459 776665316 /nfs/dbraw/zinc/66/53/16/776665316.db2.gz KXKQBCNCMQEISS-UHFFFAOYSA-N 0 3 271.296 -1.082 20 0 CAADHN C[C@H](NCCNC(=O)C1CCC(C(N)=O)CC1)C(N)=O ZINC001130680264 776665328 /nfs/dbraw/zinc/66/53/28/776665328.db2.gz ZXGQTXKZBIOVPX-IDKOKCKLSA-N 0 3 284.360 -1.142 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC001130670542 776665474 /nfs/dbraw/zinc/66/54/74/776665474.db2.gz OHFTUMOOYIOZBK-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H]1C[C@@H](C(=O)NCCNCC(=O)N(C)C)CC(=O)N1 ZINC001130669155 776665499 /nfs/dbraw/zinc/66/54/99/776665499.db2.gz BHFHBVYEKDHZTH-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnn(CCF)c1 ZINC001130664186 776665513 /nfs/dbraw/zinc/66/55/13/776665513.db2.gz AFRLVBVHUJCUDA-UHFFFAOYSA-N 0 3 257.269 -1.343 20 0 CAADHN C[C@@H](NCCNC(=O)C1CCC(C(N)=O)CC1)C(N)=O ZINC001130680265 776665520 /nfs/dbraw/zinc/66/55/20/776665520.db2.gz ZXGQTXKZBIOVPX-XNWIYYODSA-N 0 3 284.360 -1.142 20 0 CAADHN C[C@@H]1C[C@H](C(=O)NCCNCC(=O)N2CCC2)CC(=O)N1 ZINC001130669948 776665624 /nfs/dbraw/zinc/66/56/24/776665624.db2.gz HXWQHHNFLWZSFF-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H]1C[C@H](C(=O)NCCNCC(=O)N(C)C)CC(=O)N1 ZINC001130669153 776665682 /nfs/dbraw/zinc/66/56/82/776665682.db2.gz BHFHBVYEKDHZTH-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN COCCN1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@H](O)C1 ZINC001090489399 776665707 /nfs/dbraw/zinc/66/57/07/776665707.db2.gz KZOFLZVQLMDEEP-MWLCHTKSSA-N 0 3 298.343 -1.063 20 0 CAADHN COCCN1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001090489398 776665749 /nfs/dbraw/zinc/66/57/49/776665749.db2.gz KZOFLZVQLMDEEP-KOLCDFICSA-N 0 3 298.343 -1.063 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC001130670610 776665886 /nfs/dbraw/zinc/66/58/86/776665886.db2.gz PEFRLGJJDFZLPN-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN NC(=O)C1CCC(C(=O)NCCN[C@@H]2CCNC2=O)CC1 ZINC001130679927 776665965 /nfs/dbraw/zinc/66/59/65/776665965.db2.gz OOSRDZBFUULCFH-VQXHTEKXSA-N 0 3 296.371 -1.128 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130705505 776666721 /nfs/dbraw/zinc/66/67/21/776666721.db2.gz FUILIPDRBRRHKE-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130702926 776666775 /nfs/dbraw/zinc/66/67/75/776666775.db2.gz YRRXVVFNNBYORT-ZETCQYMHSA-N 0 3 285.304 -2.587 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC(=O)NC1)C(=O)NC1CC1 ZINC001130705805 776666793 /nfs/dbraw/zinc/66/67/93/776666793.db2.gz MYNZPFKMVYXXBY-NXEZZACHSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC(=O)NC1)C(=O)NC(N)=O ZINC001130706160 776666812 /nfs/dbraw/zinc/66/68/12/776666812.db2.gz VOJVNLNROPTKRU-JGVFFNPUSA-N 0 3 299.331 -2.198 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1ccncc1 ZINC001130693982 776666856 /nfs/dbraw/zinc/66/68/56/776666856.db2.gz ZXTUQARRAMMQMG-UHFFFAOYSA-N 0 3 293.327 -1.085 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCC(=O)NC2)C1=O ZINC001130705453 776666868 /nfs/dbraw/zinc/66/68/68/776666868.db2.gz DVLHXCRZWFMRSE-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CCC(=O)NC1 ZINC001130702879 776666959 /nfs/dbraw/zinc/66/69/59/776666959.db2.gz XXCBRSBREWACRH-NXEZZACHSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@@H]1C[C@H](C(=O)NCCNCC(=O)NC(N)=O)CC(=O)N1 ZINC001130670927 776667217 /nfs/dbraw/zinc/66/72/17/776667217.db2.gz VRQYTLVNVWKKCF-SFYZADRCSA-N 0 3 299.331 -2.198 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCC(=O)NC1)NCC1CC1 ZINC001130702849 776667340 /nfs/dbraw/zinc/66/73/40/776667340.db2.gz XFHAVBJJYDVOPQ-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCC(=O)NC2)C1=O ZINC001130705452 776667372 /nfs/dbraw/zinc/66/73/72/776667372.db2.gz DVLHXCRZWFMRSE-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H]1C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CC(=O)N1 ZINC001130670925 776667422 /nfs/dbraw/zinc/66/74/22/776667422.db2.gz VRQYTLVNVWKKCF-HTQZYQBOSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@H]1C[C@H](C(=O)NCCNCC(=O)NC(N)=O)CC(=O)N1 ZINC001130670928 776667631 /nfs/dbraw/zinc/66/76/31/776667631.db2.gz VRQYTLVNVWKKCF-YUMQZZPRSA-N 0 3 299.331 -2.198 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130702966 776667709 /nfs/dbraw/zinc/66/77/09/776667709.db2.gz ZKZOWSRHSHAECL-SNVBAGLBSA-N 0 3 284.360 -1.255 20 0 CAADHN CCCc1n[nH]cc1C(=O)NCCNCC(=O)NC(N)=O ZINC001130720076 776668485 /nfs/dbraw/zinc/66/84/85/776668485.db2.gz KKKCGYHUPYTCOK-UHFFFAOYSA-N 0 3 296.331 -1.124 20 0 CAADHN CCc1n[nH]cc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001130726010 776668662 /nfs/dbraw/zinc/66/86/62/776668662.db2.gz QXFKKVIZEYUFOX-ZETCQYMHSA-N 0 3 296.331 -1.125 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC(=O)NC1)C(N)=O ZINC001130702273 776668693 /nfs/dbraw/zinc/66/86/93/776668693.db2.gz KASCNXWQNGNWEE-HTQZYQBOSA-N 0 3 256.306 -1.908 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCC(=O)NC1)N1CCCC1 ZINC001130702403 776669489 /nfs/dbraw/zinc/66/94/89/776669489.db2.gz NKUQAHRJLSFMQQ-LLVKDONJSA-N 0 3 296.371 -1.159 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1CCCNC1=O ZINC001130784337 776673735 /nfs/dbraw/zinc/67/37/35/776673735.db2.gz ONLDRAYTQAWCFF-UHFFFAOYSA-N 0 3 285.348 -1.804 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCCNC1=O)C(N)=O ZINC001130784454 776673953 /nfs/dbraw/zinc/67/39/53/776673953.db2.gz TZWJMHQERPLRBB-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN COCCn1cc(C(=O)NCCNCC(N)=O)ccc1=O ZINC001130768576 776673990 /nfs/dbraw/zinc/67/39/90/776673990.db2.gz BUKVOLUMXAMSOR-UHFFFAOYSA-N 0 3 296.327 -1.701 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1CCCNC1=O ZINC001130784243 776674039 /nfs/dbraw/zinc/67/40/39/776674039.db2.gz JAVMNYOPRWBGTR-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CC(C)NC(=O)CN(C)CC(=O)NCCNCC(N)=O ZINC001130791105 776674063 /nfs/dbraw/zinc/67/40/63/776674063.db2.gz JAZDNQBGEDLDML-UHFFFAOYSA-N 0 3 287.364 -2.366 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1CCCNC1=O)C(N)=O ZINC001130791879 776674213 /nfs/dbraw/zinc/67/42/13/776674213.db2.gz ZHUGRQPOTXBYLD-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCCNC1=O)C(=O)N(C)C ZINC001130786971 776674222 /nfs/dbraw/zinc/67/42/22/776674222.db2.gz XLCMCWFTWOZSEQ-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN O=C(CN1CCCNC1=O)NCCN[C@@H]1CCCNC1=O ZINC001130784186 776674459 /nfs/dbraw/zinc/67/44/59/776674459.db2.gz GWXJNBOTBIFBJZ-SNVBAGLBSA-N 0 3 297.359 -1.614 20 0 CAADHN NC(=O)CNCCNC(=O)c1sccc1-n1cnnn1 ZINC001130793467 776674568 /nfs/dbraw/zinc/67/45/68/776674568.db2.gz LYLFFUKJNIQNAD-UHFFFAOYSA-N 0 3 295.328 -1.472 20 0 CAADHN CCOc1nc(C(=O)NCCNCC(N)=O)co1 ZINC001130848233 776675485 /nfs/dbraw/zinc/67/54/85/776675485.db2.gz SOUJKNYDDYKPRC-UHFFFAOYSA-N 0 3 256.262 -1.122 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cnn2c1OCCC2 ZINC001130838183 776675492 /nfs/dbraw/zinc/67/54/92/776675492.db2.gz YGSLHHGJBHKBIP-SNVBAGLBSA-N 0 3 293.327 -1.127 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc2c(n1)OCCO2 ZINC001130812347 776675691 /nfs/dbraw/zinc/67/56/91/776675691.db2.gz NWJXIZPXTJAWOF-UHFFFAOYSA-N 0 3 280.284 -1.343 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc2c(n1)OCCO2 ZINC001130812253 776676085 /nfs/dbraw/zinc/67/60/85/776676085.db2.gz JVPFWBDOPFPVHS-UHFFFAOYSA-N 0 3 294.311 -1.082 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccnnc1C ZINC001130867386 776677138 /nfs/dbraw/zinc/67/71/38/776677138.db2.gz ATCDXQXSPVJYOR-UHFFFAOYSA-N 0 3 294.315 -1.440 20 0 CAADHN Cc1nnccc1C(=O)NCCN[C@H](C)C(N)=O ZINC001130870382 776677288 /nfs/dbraw/zinc/67/72/88/776677288.db2.gz TVOCFUXWCHCPPZ-MRVPVSSYSA-N 0 3 251.290 -1.022 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cc(C(N)=O)cn1C ZINC001130893082 776677478 /nfs/dbraw/zinc/67/74/78/776677478.db2.gz AGRLSPXJJDOEDR-MRVPVSSYSA-N 0 3 295.343 -1.422 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cc(C(N)=O)cn1C)C(N)=O ZINC001130894472 776677490 /nfs/dbraw/zinc/67/74/90/776677490.db2.gz XSZDRIYMVQURHS-SECBINFHSA-N 0 3 295.343 -1.293 20 0 CAADHN Cn1cncc1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001130897005 776677854 /nfs/dbraw/zinc/67/78/54/776677854.db2.gz QWHMDUXIFZJMIG-UHFFFAOYSA-N 0 3 295.343 -1.402 20 0 CAADHN Cn1cc(C(N)=O)cc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001130892262 776678422 /nfs/dbraw/zinc/67/84/22/776678422.db2.gz ULIRPFMFMRCLRN-SECBINFHSA-N 0 3 293.327 -1.668 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(C(N)=O)cn1C ZINC001130892222 776678621 /nfs/dbraw/zinc/67/86/21/776678621.db2.gz SNHNYCVKLRTGCE-UHFFFAOYSA-N 0 3 281.316 -1.811 20 0 CAADHN C[C@H](NCCNC(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O ZINC001130938098 776678654 /nfs/dbraw/zinc/67/86/54/776678654.db2.gz FGPQDVYVLKSTRZ-ZETCQYMHSA-N 0 3 283.288 -2.472 20 0 CAADHN C[C@H](NCCNC(=O)c1cc(C(N)=O)cn1C)C(N)=O ZINC001130892243 776678683 /nfs/dbraw/zinc/67/86/83/776678683.db2.gz TVWRPELDGXZSAT-ZETCQYMHSA-N 0 3 281.316 -1.683 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1cccnc1 ZINC001130916322 776678700 /nfs/dbraw/zinc/67/87/00/776678700.db2.gz PYGAULVXUVFICU-UHFFFAOYSA-N 0 3 293.327 -1.085 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cccc2ncnn21 ZINC001130906739 776679097 /nfs/dbraw/zinc/67/90/97/776679097.db2.gz XEBFMWBXZSUSRF-SECBINFHSA-N 0 3 288.311 -1.063 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O ZINC001130941679 776679114 /nfs/dbraw/zinc/67/91/14/776679114.db2.gz XAKGXKQVZRMDDG-MRVPVSSYSA-N 0 3 297.315 -2.081 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O ZINC001130938097 776679198 /nfs/dbraw/zinc/67/91/98/776679198.db2.gz FGPQDVYVLKSTRZ-SSDOTTSWSA-N 0 3 283.288 -2.472 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)NCCNCCF ZINC001130938960 776679205 /nfs/dbraw/zinc/67/92/05/776679205.db2.gz ZBVBGKVJVVNPFA-UHFFFAOYSA-N 0 3 258.253 -1.376 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cccc2ncnn21 ZINC001130906740 776679215 /nfs/dbraw/zinc/67/92/15/776679215.db2.gz XEBFMWBXZSUSRF-VIFPVBQESA-N 0 3 288.311 -1.063 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cccc2ncnn21 ZINC001130903414 776679242 /nfs/dbraw/zinc/67/92/42/776679242.db2.gz IFXZOSVHJXOSGL-UHFFFAOYSA-N 0 3 276.300 -1.205 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130938494 776679452 /nfs/dbraw/zinc/67/94/52/776679452.db2.gz NMQGJRWFTIAMNJ-MRVPVSSYSA-N 0 3 297.315 -2.211 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCN1C(=O)CCC1=O ZINC001130995073 776679908 /nfs/dbraw/zinc/67/99/08/776679908.db2.gz WEOKKPBLXDHGFA-UHFFFAOYSA-N 0 3 298.343 -1.633 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCCCNC(N)=O ZINC001130958830 776679928 /nfs/dbraw/zinc/67/99/28/776679928.db2.gz VHMFSMKBRWVKOI-SECBINFHSA-N 0 3 287.364 -1.335 20 0 CAADHN Cn1nnc(C(=O)N[C@H]2CCN(CCCF)C[C@H]2O)n1 ZINC001090497015 776680002 /nfs/dbraw/zinc/68/00/02/776680002.db2.gz SMTOTMKTGXHUIN-DTWKUNHWSA-N 0 3 286.311 -1.265 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CCCCNC(N)=O)C1=O ZINC001130958570 776680150 /nfs/dbraw/zinc/68/01/50/776680150.db2.gz JBZHWFMBPVEHHQ-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)NCCN[C@@H]1CCNC1=O ZINC001130944630 776680264 /nfs/dbraw/zinc/68/02/64/776680264.db2.gz UBADIJVKUPXONA-MRVPVSSYSA-N 0 3 295.299 -2.457 20 0 CAADHN NC(=O)NCCCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001130970313 776680419 /nfs/dbraw/zinc/68/04/19/776680419.db2.gz QDVURPFFEYKREK-SECBINFHSA-N 0 3 285.348 -1.581 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](N[C@@H](C)C(=O)NCC(N)=O)C1 ZINC001170524634 776680536 /nfs/dbraw/zinc/68/05/36/776680536.db2.gz BGAQBDKHBBXQHG-DJLDLDEBSA-N 0 3 271.317 -1.092 20 0 CAADHN NC(=O)NCCCCC(=O)NCCN[C@H]1CCCNC1=O ZINC001130958901 776680615 /nfs/dbraw/zinc/68/06/15/776680615.db2.gz XSDUOFSIXFANMJ-JTQLQIEISA-N 0 3 299.375 -1.191 20 0 CAADHN C[C@@H](NCCNC(=O)CCCCNC(N)=O)C(N)=O ZINC001130958585 776680761 /nfs/dbraw/zinc/68/07/61/776680761.db2.gz KDRTZTOGGGLRTB-MRVPVSSYSA-N 0 3 273.337 -1.595 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCCCNC(N)=O ZINC001130958831 776680840 /nfs/dbraw/zinc/68/08/40/776680840.db2.gz VHMFSMKBRWVKOI-VIFPVBQESA-N 0 3 287.364 -1.335 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CCN(CCCF)C[C@H]2O)n1 ZINC001090497017 776680938 /nfs/dbraw/zinc/68/09/38/776680938.db2.gz SMTOTMKTGXHUIN-RKDXNWHRSA-N 0 3 286.311 -1.265 20 0 CAADHN NC(=O)NCCCCC(=O)NCCN[C@H]1CCNC1=O ZINC001130970314 776681003 /nfs/dbraw/zinc/68/10/03/776681003.db2.gz QDVURPFFEYKREK-VIFPVBQESA-N 0 3 285.348 -1.581 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130944417 776681035 /nfs/dbraw/zinc/68/10/35/776681035.db2.gz NOCDUMGXIYRASD-UHFFFAOYSA-N 0 3 269.261 -2.860 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131011215 776681815 /nfs/dbraw/zinc/68/18/15/776681815.db2.gz RIUGPZYFWARYNN-SNVBAGLBSA-N 0 3 299.375 -1.381 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCS(=O)(=O)C1)C(N)=O ZINC001130998317 776681831 /nfs/dbraw/zinc/68/18/31/776681831.db2.gz ODIWMJYHHDFYGJ-BDAKNGLRSA-N 0 3 291.373 -1.609 20 0 CAADHN CC(=O)N1CCC[C@@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001131013791 776681841 /nfs/dbraw/zinc/68/18/41/776681841.db2.gz FJRSGQHIPOCIQV-MWLCHTKSSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)N1CCC[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001131013789 776681900 /nfs/dbraw/zinc/68/19/00/776681900.db2.gz FJRSGQHIPOCIQV-GXSJLCMTSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)N1CCC[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001131014468 776682014 /nfs/dbraw/zinc/68/20/14/776682014.db2.gz XTFHHDJQPRUCJX-RYUDHWBXSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCCN(C(N)=O)C1)C(N)=O ZINC001131025288 776682062 /nfs/dbraw/zinc/68/20/62/776682062.db2.gz LGUGLKMVLNTIMM-VHSXEESVSA-N 0 3 299.375 -1.253 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCCN(C(N)=O)C1)C(N)=O ZINC001131025289 776682182 /nfs/dbraw/zinc/68/21/82/776682182.db2.gz LGUGLKMVLNTIMM-ZJUUUORDSA-N 0 3 299.375 -1.253 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001131014175 776682226 /nfs/dbraw/zinc/68/22/26/776682226.db2.gz PCEKTDQPPBNLDR-LLVKDONJSA-N 0 3 284.360 -1.303 20 0 CAADHN CC[C@@H](NCCNC(=O)CCN1C(=O)CCC1=O)C(N)=O ZINC001130998674 776682260 /nfs/dbraw/zinc/68/22/60/776682260.db2.gz WRESKKGHMFFOJQ-SECBINFHSA-N 0 3 298.343 -1.505 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131010867 776682338 /nfs/dbraw/zinc/68/23/38/776682338.db2.gz GCDBVBJTCHMLKJ-SNVBAGLBSA-N 0 3 299.375 -1.429 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCCN(C(C)=O)C1 ZINC001131014176 776682417 /nfs/dbraw/zinc/68/24/17/776682417.db2.gz PCEKTDQPPBNLDR-NSHDSACASA-N 0 3 284.360 -1.303 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCCN(C(N)=O)C1)C(N)=O ZINC001131025287 776682497 /nfs/dbraw/zinc/68/24/97/776682497.db2.gz LGUGLKMVLNTIMM-UWVGGRQHSA-N 0 3 299.375 -1.253 20 0 CAADHN CC(=O)N1CCC[C@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001131013790 776682509 /nfs/dbraw/zinc/68/25/09/776682509.db2.gz FJRSGQHIPOCIQV-KOLCDFICSA-N 0 3 284.360 -1.176 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccccc1OCC(N)=O ZINC001131062622 776683190 /nfs/dbraw/zinc/68/31/90/776683190.db2.gz UCOOTRHAINUKJC-UHFFFAOYSA-N 0 3 294.311 -1.645 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(C(N)=O)o1 ZINC001131099341 776683340 /nfs/dbraw/zinc/68/33/40/776683340.db2.gz GLMZDIGSDRNFIE-UHFFFAOYSA-N 0 3 268.273 -1.556 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCNCC(=O)NC2CC2)o1 ZINC001131101592 776683426 /nfs/dbraw/zinc/68/34/26/776683426.db2.gz MHQSMHICIATSRR-UHFFFAOYSA-N 0 3 294.311 -1.024 20 0 CAADHN CC(=O)N[C@@H](C(=O)NCCNCC(N)=O)C1CCCC1 ZINC001131083243 776683451 /nfs/dbraw/zinc/68/34/51/776683451.db2.gz QMVJMVWDXBCWTL-GFCCVEGCSA-N 0 3 284.360 -1.128 20 0 CAADHN Cc1cc(C)n(CC(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001131063970 776683530 /nfs/dbraw/zinc/68/35/30/776683530.db2.gz CRPFTGGCUNEQHU-UHFFFAOYSA-N 0 3 296.331 -1.599 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@H]2CCCC(=O)N2)C1=O ZINC001131099008 776683582 /nfs/dbraw/zinc/68/35/82/776683582.db2.gz BOERUCKWBCBTFR-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1nc(C)cc1C ZINC001131062527 776683593 /nfs/dbraw/zinc/68/35/93/776683593.db2.gz PGGYJLVDAGGNFU-UHFFFAOYSA-N 0 3 267.333 -1.048 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131100444 776683718 /nfs/dbraw/zinc/68/37/18/776683718.db2.gz VOESHHSFZUDVBV-MRVPVSSYSA-N 0 3 299.331 -2.054 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131100445 776683932 /nfs/dbraw/zinc/68/39/32/776683932.db2.gz VOESHHSFZUDVBV-QMMMGPOBSA-N 0 3 299.331 -2.054 20 0 CAADHN COc1cc(C(=O)NCCN[C@H](C)C(N)=O)nn1C ZINC001131127337 776684805 /nfs/dbraw/zinc/68/48/05/776684805.db2.gz IMJWXMYFLMCNGL-SSDOTTSWSA-N 0 3 269.305 -1.378 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@@H]2CCCNC2=O)o1 ZINC001131101973 776684863 /nfs/dbraw/zinc/68/48/63/776684863.db2.gz YUIJIGRNBFBOHJ-MRVPVSSYSA-N 0 3 294.311 -1.024 20 0 CAADHN Cc1occc(=O)c1OCC(=O)NCCN[C@@H](C)C(N)=O ZINC001131137963 776685025 /nfs/dbraw/zinc/68/50/25/776685025.db2.gz JQFVIYKFRLYGNV-QMMMGPOBSA-N 0 3 297.311 -1.093 20 0 CAADHN COc1cnc(C(=O)NCCNCC(=O)N(C)C)nc1 ZINC001131123448 776685033 /nfs/dbraw/zinc/68/50/33/776685033.db2.gz CIWDSBNNJAZXMX-UHFFFAOYSA-N 0 3 281.316 -1.107 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ncc(OC)cn1 ZINC001131123668 776685119 /nfs/dbraw/zinc/68/51/19/776685119.db2.gz IWNIJRYQSLXEKI-UHFFFAOYSA-N 0 3 281.316 -1.059 20 0 CAADHN O=C(C[C@@H]1CCCC(=O)N1)NCCN[C@H]1CCNC1=O ZINC001131106953 776685202 /nfs/dbraw/zinc/68/52/02/776685202.db2.gz BULZMRCANMCRLC-UWVGGRQHSA-N 0 3 282.344 -1.361 20 0 CAADHN O=C(C[C@H]1CCCC(=O)N1)NCCNCC(=O)N1CCC1 ZINC001131104076 776685266 /nfs/dbraw/zinc/68/52/66/776685266.db2.gz NMKNZMSVVPTCNP-LLVKDONJSA-N 0 3 296.371 -1.017 20 0 CAADHN COc1cc(C(=O)NCCNCC(N)=O)nn1C ZINC001131125215 776685284 /nfs/dbraw/zinc/68/52/84/776685284.db2.gz YZSBTQDKZYVGOS-UHFFFAOYSA-N 0 3 255.278 -1.767 20 0 CAADHN COc1cnc(C(=O)NCCN[C@@H](C)C(N)=O)nc1 ZINC001131123603 776685354 /nfs/dbraw/zinc/68/53/54/776685354.db2.gz FORASJCMTGGXOI-ZETCQYMHSA-N 0 3 267.289 -1.322 20 0 CAADHN O=C(C[C@@H]1CCCC(=O)N1)NCCN[C@@H]1CCNC1=O ZINC001131106954 776685631 /nfs/dbraw/zinc/68/56/31/776685631.db2.gz BULZMRCANMCRLC-VHSXEESVSA-N 0 3 282.344 -1.361 20 0 CAADHN O=C(C[C@H]1CCCC(=O)N1)NCCN[C@@H]1CCNC1=O ZINC001131106952 776685517 /nfs/dbraw/zinc/68/55/17/776685517.db2.gz BULZMRCANMCRLC-NXEZZACHSA-N 0 3 282.344 -1.361 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C(N)=O)o1 ZINC001131107542 776685623 /nfs/dbraw/zinc/68/56/23/776685623.db2.gz XZSBJTZLHXJMDR-SSDOTTSWSA-N 0 3 282.300 -1.168 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccnc2n[nH]nc21 ZINC001131173716 776686437 /nfs/dbraw/zinc/68/64/37/776686437.db2.gz WFZAYANJZZKUKH-SSDOTTSWSA-N 0 3 291.315 -1.193 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccn(CCOC)n1 ZINC001131153713 776686564 /nfs/dbraw/zinc/68/65/64/776686564.db2.gz VPEWPQMPEVXGOV-UHFFFAOYSA-N 0 3 283.332 -1.405 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccnc2n[nH]nc21 ZINC001131171390 776686650 /nfs/dbraw/zinc/68/66/50/776686650.db2.gz SOFXSKOCANAYIK-UHFFFAOYSA-N 0 3 291.315 -1.192 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)ccc1=O)C(N)=O ZINC001131161986 776686827 /nfs/dbraw/zinc/68/68/27/776686827.db2.gz LWWSJZVCOYLBMN-MRVPVSSYSA-N 0 3 266.301 -1.422 20 0 CAADHN Cn1ccc(=O)c(C(=O)NCCN[C@@H]2CCCNC2=O)c1 ZINC001131162032 776686836 /nfs/dbraw/zinc/68/68/36/776686836.db2.gz OEBQEYVFLXFHKX-LLVKDONJSA-N 0 3 292.339 -1.017 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccnc(OC)n1 ZINC001131187965 776686923 /nfs/dbraw/zinc/68/69/23/776686923.db2.gz ICMAEFWCOOFFSE-UHFFFAOYSA-N 0 3 267.289 -1.449 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cn(C)ccc2=O)C1=O ZINC001131162116 776687071 /nfs/dbraw/zinc/68/70/71/776687071.db2.gz RKUABNNQTOSTMX-NSHDSACASA-N 0 3 292.339 -1.065 20 0 CAADHN Cn1ccc(=O)c(C(=O)NCCN[C@H]2CCNC2=O)c1 ZINC001131162234 776687118 /nfs/dbraw/zinc/68/71/18/776687118.db2.gz WKJNEGWEJVPKSH-JTQLQIEISA-N 0 3 278.312 -1.407 20 0 CAADHN Cc1cnc(COCC(=O)NCCNCC(N)=O)o1 ZINC001131165204 776687154 /nfs/dbraw/zinc/68/71/54/776687154.db2.gz NTEOQYOEZFDNTD-UHFFFAOYSA-N 0 3 270.289 -1.309 20 0 CAADHN Cn1ccc(=O)c(C(=O)NCCNCC(=O)N2CCC2)c1 ZINC001131159770 776687188 /nfs/dbraw/zinc/68/71/88/776687188.db2.gz JQJBCPRFQZDSGJ-UHFFFAOYSA-N 0 3 292.339 -1.063 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccnc2n[nH]nc21 ZINC001131171129 776687205 /nfs/dbraw/zinc/68/72/05/776687205.db2.gz KYKVVMQJCDDBQC-UHFFFAOYSA-N 0 3 263.261 -1.842 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1ccnc2n[nH]nc21 ZINC001131171378 776687237 /nfs/dbraw/zinc/68/72/37/776687237.db2.gz SCOUAKXHYPRYLE-MRVPVSSYSA-N 0 3 289.299 -1.439 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cn(C)ccc1=O ZINC001131162274 776687249 /nfs/dbraw/zinc/68/72/49/776687249.db2.gz XLTSQSBKHAQARN-UHFFFAOYSA-N 0 3 280.328 -1.207 20 0 CAADHN COCCn1ccc(C(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001131153530 776687273 /nfs/dbraw/zinc/68/72/73/776687273.db2.gz MYRGTDXFNVMVAD-SECBINFHSA-N 0 3 283.332 -1.277 20 0 CAADHN COc1nccc(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001131193513 776688041 /nfs/dbraw/zinc/68/80/41/776688041.db2.gz QBIYEUKCEKQIGM-QMMMGPOBSA-N 0 3 279.300 -1.307 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc2nnnn2c1)C(N)=O ZINC001131278632 776688111 /nfs/dbraw/zinc/68/81/11/776688111.db2.gz KRLHNSQNTYDGTA-SSDOTTSWSA-N 0 3 277.288 -1.683 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccc2nnnn2c1 ZINC001131279041 776688258 /nfs/dbraw/zinc/68/82/58/776688258.db2.gz UPCZCBWMUSDJOC-UHFFFAOYSA-N 0 3 291.315 -1.420 20 0 CAADHN COc1ccnc(OC)c1C(=O)NCCNCC(N)=O ZINC001131219028 776688272 /nfs/dbraw/zinc/68/82/72/776688272.db2.gz ZGCXSTRDBODMCX-UHFFFAOYSA-N 0 3 282.300 -1.097 20 0 CAADHN COc1nccc(C(=O)NCCNCC(N)=O)n1 ZINC001131193388 776688350 /nfs/dbraw/zinc/68/83/50/776688350.db2.gz KNSZTAXHSAZKOR-UHFFFAOYSA-N 0 3 253.262 -1.710 20 0 CAADHN COc1nccc(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001131193512 776688436 /nfs/dbraw/zinc/68/84/36/776688436.db2.gz QBIYEUKCEKQIGM-MRVPVSSYSA-N 0 3 279.300 -1.307 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccnc(OC)n1 ZINC001131193689 776688508 /nfs/dbraw/zinc/68/85/08/776688508.db2.gz ZDTBHSQQAAYUPW-UHFFFAOYSA-N 0 3 281.316 -1.059 20 0 CAADHN Cc1cc(CC(=O)NCCNCC(=O)NC(N)=O)n(C)n1 ZINC001131284798 776688519 /nfs/dbraw/zinc/68/85/19/776688519.db2.gz LDKBFOXUBKEZMQ-UHFFFAOYSA-N 0 3 296.331 -1.828 20 0 CAADHN NC(=O)CNCCNC(=O)CCc1ccc(C(N)=O)cc1 ZINC001131305400 776688611 /nfs/dbraw/zinc/68/86/11/776688611.db2.gz FJWPIZHGTYNWNS-UHFFFAOYSA-N 0 3 292.339 -1.091 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cc(=O)c(OC)c[nH]1)C(N)=O ZINC001131362997 776689185 /nfs/dbraw/zinc/68/91/85/776689185.db2.gz VDJXJCQTAYGEFK-MRVPVSSYSA-N 0 3 296.327 -1.033 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1cncnc1 ZINC001131348997 776689418 /nfs/dbraw/zinc/68/94/18/776689418.db2.gz XTUNIRPBNHSXHH-UHFFFAOYSA-N 0 3 265.317 -1.139 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cnc2nccn2c1 ZINC001131347272 776689746 /nfs/dbraw/zinc/68/97/46/776689746.db2.gz XJGIXJBIUMZNJL-JTQLQIEISA-N 0 3 288.311 -1.063 20 0 CAADHN COCC1(C(=O)NCCNCC(=O)NC(N)=O)CC1 ZINC001131323892 776689661 /nfs/dbraw/zinc/68/96/61/776689661.db2.gz ZLWPDTCARVHVAN-UHFFFAOYSA-N 0 3 272.305 -1.686 20 0 CAADHN COCC1(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)CC1 ZINC001131322120 776689766 /nfs/dbraw/zinc/68/97/66/776689766.db2.gz ZAELYTDHYCFICQ-MRVPVSSYSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C(C)(C)COC ZINC001131323686 776689806 /nfs/dbraw/zinc/68/98/06/776689806.db2.gz PNCINEUGVCEMNT-UHFFFAOYSA-N 0 3 288.348 -1.180 20 0 CAADHN CC[C@H](NCCNC(=O)c1cc(=O)c(OC)c[nH]1)C(N)=O ZINC001131362998 776689813 /nfs/dbraw/zinc/68/98/13/776689813.db2.gz VDJXJCQTAYGEFK-QMMMGPOBSA-N 0 3 296.327 -1.033 20 0 CAADHN COCC(C)(C)C(=O)NCCNCC(=O)NC(N)=O ZINC001131318267 776689922 /nfs/dbraw/zinc/68/99/22/776689922.db2.gz UXGDYNZIHXFKRZ-UHFFFAOYSA-N 0 3 274.321 -1.440 20 0 CAADHN CCCN1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090500023 776689945 /nfs/dbraw/zinc/68/99/45/776689945.db2.gz LTBNXYJMOUXMDP-IUCAKERBSA-N 0 3 268.321 -1.215 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1cncc1C ZINC001131377100 776689976 /nfs/dbraw/zinc/68/99/76/776689976.db2.gz GVOSYHJLPLWOFC-UHFFFAOYSA-N 0 3 253.306 -1.357 20 0 CAADHN COCC1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC1 ZINC001131323844 776690033 /nfs/dbraw/zinc/69/00/33/776690033.db2.gz WXNVKNLLZMFDNA-VIFPVBQESA-N 0 3 283.328 -1.076 20 0 CAADHN CCCN1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090500021 776690039 /nfs/dbraw/zinc/69/00/39/776690039.db2.gz LTBNXYJMOUXMDP-BDAKNGLRSA-N 0 3 268.321 -1.215 20 0 CAADHN C[C@H](NCCNC(=O)c1cnc2c(c1)nnn2C)C(N)=O ZINC001131459126 776690926 /nfs/dbraw/zinc/69/09/26/776690926.db2.gz SQDHJIVGDMYPLA-ZETCQYMHSA-N 0 3 291.315 -1.444 20 0 CAADHN Cc1cncn1CC(=O)NCCN[C@H](C)C(N)=O ZINC001131380556 776690983 /nfs/dbraw/zinc/69/09/83/776690983.db2.gz QRMBTSYULHLTTB-SECBINFHSA-N 0 3 253.306 -1.229 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1ncc2cccnc21 ZINC001131497020 776691065 /nfs/dbraw/zinc/69/10/65/776691065.db2.gz JUJHJFNQUCMLJE-UHFFFAOYSA-N 0 3 276.300 -1.378 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cc(F)c[nH]1 ZINC001131462789 776691200 /nfs/dbraw/zinc/69/12/00/776691200.db2.gz FKGLVAWDMXBLLH-UHFFFAOYSA-N 0 3 285.279 -1.071 20 0 CAADHN NC(=O)CNCCNC(=O)c1nnc2ccccc2n1 ZINC001131397864 776691242 /nfs/dbraw/zinc/69/12/42/776691242.db2.gz NTBQJZKRKICEJE-UHFFFAOYSA-N 0 3 274.284 -1.171 20 0 CAADHN NC(=O)CNCCNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001131488336 776691378 /nfs/dbraw/zinc/69/13/78/776691378.db2.gz GTGQPPCTPUCXET-BDAKNGLRSA-N 0 3 286.332 -2.009 20 0 CAADHN Cc1cncn1CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001131387625 776691426 /nfs/dbraw/zinc/69/14/26/776691426.db2.gz XHBWOWSLNKEGLU-SECBINFHSA-N 0 3 296.331 -1.519 20 0 CAADHN COCC1(C(=O)NCCNCC(=O)NC(N)=O)CCC1 ZINC001131428149 776691499 /nfs/dbraw/zinc/69/14/99/776691499.db2.gz VDDKMKBFAHYCEI-UHFFFAOYSA-N 0 3 286.332 -1.296 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnc2c(c1)nnn2C)C(N)=O ZINC001131459125 776691550 /nfs/dbraw/zinc/69/15/50/776691550.db2.gz SQDHJIVGDMYPLA-SSDOTTSWSA-N 0 3 291.315 -1.444 20 0 CAADHN Cc1cnc2c(cnn2CC(=O)NCCNCC(N)=O)c1 ZINC001131409993 776692172 /nfs/dbraw/zinc/69/21/72/776692172.db2.gz AAQDQGAHAIWSCZ-UHFFFAOYSA-N 0 3 290.327 -1.069 20 0 CAADHN Cc1cncn1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001131380557 776692259 /nfs/dbraw/zinc/69/22/59/776692259.db2.gz QRMBTSYULHLTTB-VIFPVBQESA-N 0 3 253.306 -1.229 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN[C@@H](C)C(N)=O ZINC001131831712 776705495 /nfs/dbraw/zinc/70/54/95/776705495.db2.gz NBKSUHOPIISKAW-LURJTMIESA-N 0 3 281.338 -3.380 20 0 CAADHN C[C@H]1CO[C@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001131527707 776693143 /nfs/dbraw/zinc/69/31/43/776693143.db2.gz ZVTTYIBTFHTDEW-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cn(C)c(=O)cn1 ZINC001131538511 776693187 /nfs/dbraw/zinc/69/31/87/776693187.db2.gz CPRKJPOEPHDDFB-QMMMGPOBSA-N 0 3 281.316 -1.766 20 0 CAADHN C[C@@H]1CO[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001131527708 776693302 /nfs/dbraw/zinc/69/33/02/776693302.db2.gz ZVTTYIBTFHTDEW-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@@H]1CO[C@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001131527709 776693598 /nfs/dbraw/zinc/69/35/98/776693598.db2.gz ZVTTYIBTFHTDEW-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)N2CCC2)ncc1=O ZINC001131545081 776693746 /nfs/dbraw/zinc/69/37/46/776693746.db2.gz JZVMMUWRWFNKEZ-UHFFFAOYSA-N 0 3 293.327 -1.668 20 0 CAADHN C[C@H]1CO[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001131531687 776693751 /nfs/dbraw/zinc/69/37/51/776693751.db2.gz ZSWLIIIYNNOZLO-NXEZZACHSA-N 0 3 293.389 -1.334 20 0 CAADHN C[C@@H]1CO[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001131526594 776694082 /nfs/dbraw/zinc/69/40/82/776694082.db2.gz ATGUOIQCHOMHDU-YUMQZZPRSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(N)=O ZINC001131519202 776694140 /nfs/dbraw/zinc/69/41/40/776694140.db2.gz AHVPOHGWHRTFOM-GSVPJAPCSA-N 0 3 267.329 -1.011 20 0 CAADHN NC(=O)CNCCNC(=O)c1coc2c1C(=O)NCCC2 ZINC001131562764 776694966 /nfs/dbraw/zinc/69/49/66/776694966.db2.gz IYCKFRNLIJGVFT-UHFFFAOYSA-N 0 3 294.311 -1.240 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)c(=O)cn1)C(N)=O ZINC001131540406 776695260 /nfs/dbraw/zinc/69/52/60/776695260.db2.gz ZBCBGMQYIRMXNP-ZETCQYMHSA-N 0 3 267.289 -2.027 20 0 CAADHN CCn1cc(CC(=O)NCCN[C@H]2CCCNC2=O)nn1 ZINC001131622139 776695552 /nfs/dbraw/zinc/69/55/52/776695552.db2.gz VZVWAPLCTJFYME-NSHDSACASA-N 0 3 294.359 -1.175 20 0 CAADHN CCN1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090501515 776695629 /nfs/dbraw/zinc/69/56/29/776695629.db2.gz ZHCNCEXYMVQUKI-YUMQZZPRSA-N 0 3 254.294 -1.605 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090501514 776695756 /nfs/dbraw/zinc/69/57/56/776695756.db2.gz ZHCNCEXYMVQUKI-SFYZADRCSA-N 0 3 254.294 -1.605 20 0 CAADHN CC[C@@H](NCCNC(=O)Cc1cn(CC)nn1)C(N)=O ZINC001131624595 776695764 /nfs/dbraw/zinc/69/57/64/776695764.db2.gz KLKSXWZMIMATQB-SNVBAGLBSA-N 0 3 282.348 -1.190 20 0 CAADHN Cn1nnc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090501291 776695783 /nfs/dbraw/zinc/69/57/83/776695783.db2.gz WQQXWTMOWPHEHQ-DTWKUNHWSA-N 0 3 284.320 -2.243 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090501290 776695880 /nfs/dbraw/zinc/69/58/80/776695880.db2.gz WQQXWTMOWPHEHQ-BDAKNGLRSA-N 0 3 284.320 -2.243 20 0 CAADHN CCn1cc(CC(=O)NCCN[C@@H]2CCCNC2=O)nn1 ZINC001131622138 776695889 /nfs/dbraw/zinc/69/58/89/776695889.db2.gz VZVWAPLCTJFYME-LLVKDONJSA-N 0 3 294.359 -1.175 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)c(=O)cn1)C(=O)N(C)C ZINC001131539659 776695914 /nfs/dbraw/zinc/69/59/14/776695914.db2.gz OUQQEWVAWVVXQD-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN CN(CCO)C[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001158427186 776696804 /nfs/dbraw/zinc/69/68/04/776696804.db2.gz SWNJAAQDMWYOTP-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131644884 776696947 /nfs/dbraw/zinc/69/69/47/776696947.db2.gz LPVNECLBEILUHF-FIQHERPVSA-N 0 3 299.371 -1.122 20 0 CAADHN Cn1nccc1[C@@H]1C[C@H]1C(=O)NCCNCC(N)=O ZINC001131630746 776696959 /nfs/dbraw/zinc/69/69/59/776696959.db2.gz OOBRMCOYEDRBBX-RKDXNWHRSA-N 0 3 265.317 -1.285 20 0 CAADHN Cn1ccnc1CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001131639811 776697057 /nfs/dbraw/zinc/69/70/57/776697057.db2.gz OWCBTHCXTHZXFD-SNVBAGLBSA-N 0 3 279.344 -1.053 20 0 CAADHN NCc1cnnn1-c1ccc(S(N)(=O)=O)nn1 ZINC001158427707 776697086 /nfs/dbraw/zinc/69/70/86/776697086.db2.gz FFMBAEJKDSXCTF-UHFFFAOYSA-N 0 3 255.263 -1.837 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1nccn1C ZINC001131640085 776697195 /nfs/dbraw/zinc/69/71/95/776697195.db2.gz XAJSTFWJBBIXTE-UHFFFAOYSA-N 0 3 267.333 -1.196 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)O[C@]2(CCN(CCO)C2)C1 ZINC001131651807 776697418 /nfs/dbraw/zinc/69/74/18/776697418.db2.gz BFMYKMYYFJLWDU-RISCZKNCSA-N 0 3 299.371 -1.193 20 0 CAADHN CC[C@H]1C[C@H](C(=O)NCCNCC(=O)NC)CC(=O)N1 ZINC001131672612 776697565 /nfs/dbraw/zinc/69/75/65/776697565.db2.gz XTWFCUXAXKADQA-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CCn1cc(CC(=O)NCCNCC(=O)NC2CC2)nn1 ZINC001131626742 776697584 /nfs/dbraw/zinc/69/75/84/776697584.db2.gz HPWLKDZIVMYAIG-UHFFFAOYSA-N 0 3 294.359 -1.175 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001131672120 776697670 /nfs/dbraw/zinc/69/76/70/776697670.db2.gz KUWPDHIAWYJAPY-VIFPVBQESA-N 0 3 294.315 -2.183 20 0 CAADHN CNC(=O)CC(=O)N1C[C@H](C)O[C@]2(CCN(CCO)C2)C1 ZINC001131651806 776697690 /nfs/dbraw/zinc/69/76/90/776697690.db2.gz BFMYKMYYFJLWDU-FZMZJTMJSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CNC(=O)C1)C(=O)NC(N)=O ZINC001131680613 776698435 /nfs/dbraw/zinc/69/84/35/776698435.db2.gz NHUMIAAIDIXJLE-KRTXAFLBSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@]1(C)CNC(=O)C1)C(N)=O ZINC001131681331 776698537 /nfs/dbraw/zinc/69/85/37/776698537.db2.gz ZSYALANLOQLABY-RDDDGLTNSA-N 0 3 256.306 -1.908 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@]2(C)CNC(=O)C2)C1=O ZINC001131689863 776698629 /nfs/dbraw/zinc/69/86/29/776698629.db2.gz MNOIGSKQORRUEW-NOZJJQNGSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131689097 776698795 /nfs/dbraw/zinc/69/87/95/776698795.db2.gz AMOVAIXRUXRVAG-PELKAZGASA-N 0 3 270.333 -1.647 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131684305 776698805 /nfs/dbraw/zinc/69/88/05/776698805.db2.gz DYAZKTXTKRHGSL-GFCCVEGCSA-N 0 3 270.333 -1.693 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@]1(C)CNC(=O)C1)C(N)=O ZINC001131689106 776698909 /nfs/dbraw/zinc/69/89/09/776698909.db2.gz AOOMKFYMRAHMPK-PRHODGIISA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H]1OCC[C@]1(C)C(=O)NCCNCC(=O)NC(N)=O ZINC001131685947 776699252 /nfs/dbraw/zinc/69/92/52/776699252.db2.gz ZJTZGROPIGCASI-PELKAZGASA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCCNC2=O)CNC(=O)C1 ZINC001131684970 776699417 /nfs/dbraw/zinc/69/94/17/776699417.db2.gz PXEAVFGBPDMFRM-RNCFNFMXSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCNC2=O)CNC(=O)C1 ZINC001131684968 776699431 /nfs/dbraw/zinc/69/94/31/776699431.db2.gz PWSWUKYQIDIFCQ-UFBFGSQYSA-N 0 3 268.317 -1.893 20 0 CAADHN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCNCC(N)=O ZINC001132128269 776713133 /nfs/dbraw/zinc/71/31/33/776713133.db2.gz CBHVGLOUUKFQCG-MRVPVSSYSA-N 0 3 272.349 -1.272 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(-n2cnnn2)cn1 ZINC001131752196 776700319 /nfs/dbraw/zinc/70/03/19/776700319.db2.gz OPQVZYMBSDXALL-UHFFFAOYSA-N 0 3 290.287 -2.138 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@]2(C)CNC(=O)C2)C1=O ZINC001131690285 776700532 /nfs/dbraw/zinc/70/05/32/776700532.db2.gz UNHWWNXXYIYMDK-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@]2(C)CNC(=O)C2)C1=O ZINC001131690283 776700579 /nfs/dbraw/zinc/70/05/79/776700579.db2.gz UNHWWNXXYIYMDK-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@]2(C)CNC(=O)C2)C1=O ZINC001131690284 776700735 /nfs/dbraw/zinc/70/07/35/776700735.db2.gz UNHWWNXXYIYMDK-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@]1(C)CNC(=O)C1)C1CC1 ZINC001131676833 776700754 /nfs/dbraw/zinc/70/07/54/776700754.db2.gz LVBHFRPMRUKCDR-CQSZACIVSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1Cc2cncn2C(=O)N1)C(N)=O ZINC001131676595 776700772 /nfs/dbraw/zinc/70/07/72/776700772.db2.gz KZVQVADYWRRDSU-CBAPKCEASA-N 0 3 294.315 -2.055 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131677492 776700918 /nfs/dbraw/zinc/70/09/18/776700918.db2.gz UDEWKXQWQCGJMQ-LLVKDONJSA-N 0 3 256.306 -2.036 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131675874 776700956 /nfs/dbraw/zinc/70/09/56/776700956.db2.gz CKOUTSNHKQWION-CYBMUJFWSA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)N2CCC2)CNC(=O)C1 ZINC001131676898 776701000 /nfs/dbraw/zinc/70/10/00/776701000.db2.gz NHBWNPNKSAWXPJ-CYBMUJFWSA-N 0 3 282.344 -1.549 20 0 CAADHN CC[C@H](NCCNC(=O)CCn1ncn(C)c1=O)C(N)=O ZINC001131769544 776701593 /nfs/dbraw/zinc/70/15/93/776701593.db2.gz XHZSQDVIYRIQQU-VIFPVBQESA-N 0 3 298.347 -2.058 20 0 CAADHN O=C(COCC(F)F)NCCN[C@H]1CCNC1=O ZINC001131765928 776701622 /nfs/dbraw/zinc/70/16/22/776701622.db2.gz RAGCIYHMCOSTOW-ZETCQYMHSA-N 0 3 265.260 -1.138 20 0 CAADHN Cn1cnn(CCC(=O)NCCNCC(N)=O)c1=O ZINC001131765860 776701696 /nfs/dbraw/zinc/70/16/96/776701696.db2.gz OMYWEUKPLJMVHN-UHFFFAOYSA-N 0 3 270.293 -2.837 20 0 CAADHN CCC[C@@H](C(=O)NCCNCC(=O)NC)S(N)(=O)=O ZINC001131774904 776701742 /nfs/dbraw/zinc/70/17/42/776701742.db2.gz XOZWGTMMURAFLL-QMMMGPOBSA-N 0 3 294.377 -2.105 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)CNC(N)=O)CN1CCO ZINC001131792772 776701827 /nfs/dbraw/zinc/70/18/27/776701827.db2.gz MTLDIYXQBUPGPQ-BDAKNGLRSA-N 0 3 258.322 -1.384 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)CNC(N)=O)CN1CCO ZINC001131792774 776702192 /nfs/dbraw/zinc/70/21/92/776702192.db2.gz MTLDIYXQBUPGPQ-IUCAKERBSA-N 0 3 258.322 -1.384 20 0 CAADHN CCCCN1CCOC[C@@H]1C(=O)NCCNCC(N)=O ZINC001131822881 776703403 /nfs/dbraw/zinc/70/34/03/776703403.db2.gz WWBZAMWLGFPNPK-LLVKDONJSA-N 0 3 286.376 -1.322 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1coc(C(N)=O)c1 ZINC001131786067 776703479 /nfs/dbraw/zinc/70/34/79/776703479.db2.gz DGLRRXQZZWDXFT-ZETCQYMHSA-N 0 3 282.300 -1.168 20 0 CAADHN NC(=O)c1cc(C(=O)NCCN[C@H]2CCCNC2=O)co1 ZINC001131782716 776703584 /nfs/dbraw/zinc/70/35/84/776703584.db2.gz CFPVAAFWPNHTGT-VIFPVBQESA-N 0 3 294.311 -1.024 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131840224 776703875 /nfs/dbraw/zinc/70/38/75/776703875.db2.gz DRIFZTYMRWWINF-QMMMGPOBSA-N 0 3 299.331 -2.197 20 0 CAADHN NC(=O)c1cc(C(=O)NCCN[C@H]2CCNC2=O)co1 ZINC001131782830 776703921 /nfs/dbraw/zinc/70/39/21/776703921.db2.gz ITHDALRPLCDGGD-QMMMGPOBSA-N 0 3 280.284 -1.414 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1COCCN1CC(F)F ZINC001131825456 776704051 /nfs/dbraw/zinc/70/40/51/776704051.db2.gz PKTMPOPKXXHWIK-QMMMGPOBSA-N 0 3 294.302 -1.857 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1coc(C(N)=O)c1 ZINC001131782762 776704140 /nfs/dbraw/zinc/70/41/40/776704140.db2.gz FSEROOITGKQBRB-UHFFFAOYSA-N 0 3 297.271 -2.107 20 0 CAADHN CC[C@@H](NCCNC(=O)c1coc(C(N)=O)c1)C(N)=O ZINC001131786023 776704353 /nfs/dbraw/zinc/70/43/53/776704353.db2.gz BYTHRLAKFBIEPH-MRVPVSSYSA-N 0 3 282.300 -1.038 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCNC(=O)CC1 ZINC001131840438 776704372 /nfs/dbraw/zinc/70/43/72/776704372.db2.gz KLLHMRGVBLBSHS-ZJUUUORDSA-N 0 3 282.344 -1.503 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CCNC(=O)CC1 ZINC001131844336 776704449 /nfs/dbraw/zinc/70/44/49/776704449.db2.gz FYKBBDWQIJRVDG-GHMZBOCLSA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131845356 776705394 /nfs/dbraw/zinc/70/53/94/776705394.db2.gz XSFIKERQTYNPKN-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN[C@H]1CCNC1=O ZINC001131831593 776705450 /nfs/dbraw/zinc/70/54/50/776705450.db2.gz IOBAKMQQYKEPAP-ZETCQYMHSA-N 0 3 293.349 -3.366 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCNCC(N)=O ZINC001131831920 776705634 /nfs/dbraw/zinc/70/56/34/776705634.db2.gz ULZSQZAMPZOGCC-UHFFFAOYSA-N 0 3 267.311 -3.769 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131845358 776705885 /nfs/dbraw/zinc/70/58/85/776705885.db2.gz XSFIKERQTYNPKN-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCNC(=O)CC2)C1=O ZINC001131845438 776705896 /nfs/dbraw/zinc/70/58/96/776705896.db2.gz ZOZDNNVMOCQXEY-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN[C@H](C)C(N)=O ZINC001131831713 776705993 /nfs/dbraw/zinc/70/59/93/776705993.db2.gz NBKSUHOPIISKAW-ZCFIWIBFSA-N 0 3 281.338 -3.380 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001131845357 776706009 /nfs/dbraw/zinc/70/60/09/776706009.db2.gz XSFIKERQTYNPKN-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CCNC(=O)CC1 ZINC001131844347 776706165 /nfs/dbraw/zinc/70/61/65/776706165.db2.gz FYKBBDWQIJRVDG-WDEREUQCSA-N 0 3 296.371 -1.113 20 0 CAADHN CO[C@H](C(=O)NCCN[C@@H]1CCNC1=O)c1cnn(C)c1 ZINC001131877290 776706772 /nfs/dbraw/zinc/70/67/72/776706772.db2.gz AXKCXNRARPLJAI-MNOVXSKESA-N 0 3 295.343 -1.298 20 0 CAADHN CO[C@H](C(=O)NCCN[C@@H](C)C(N)=O)c1cnn(C)c1 ZINC001131877720 776706792 /nfs/dbraw/zinc/70/67/92/776706792.db2.gz LEGVGGIYHQZDHF-WPRPVWTQSA-N 0 3 283.332 -1.313 20 0 CAADHN CO[C@@H](C(=O)NCCNCC(N)=O)[C@H]1CCOC1 ZINC001131884142 776707251 /nfs/dbraw/zinc/70/72/51/776707251.db2.gz HFZWGBUGYRDJPV-WCBMZHEXSA-N 0 3 259.306 -1.771 20 0 CAADHN CCO[C@@H](C(=O)NCCNCC(=O)NC)[C@@H]1CCOC1 ZINC001131884313 776707315 /nfs/dbraw/zinc/70/73/15/776707315.db2.gz JYTAAOGINARGJH-ZYHUDNBSSA-N 0 3 287.360 -1.120 20 0 CAADHN CO[C@H](C(=O)NCCNCC(N)=O)[C@H]1CCOC1 ZINC001131884143 776707496 /nfs/dbraw/zinc/70/74/96/776707496.db2.gz HFZWGBUGYRDJPV-WPRPVWTQSA-N 0 3 259.306 -1.771 20 0 CAADHN CO[C@H](C(=O)NCCN[C@H]1CCNC1=O)c1cnn(C)c1 ZINC001131877291 776707576 /nfs/dbraw/zinc/70/75/76/776707576.db2.gz AXKCXNRARPLJAI-QWRGUYRKSA-N 0 3 295.343 -1.298 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@]1(COC)CCOC1 ZINC001131900081 776708593 /nfs/dbraw/zinc/70/85/93/776708593.db2.gz ZYWYGMVZAQQKDD-GFCCVEGCSA-N 0 3 273.333 -1.509 20 0 CAADHN COC[C@]1(C(=O)NCCN[C@H](C)C(N)=O)CCOC1 ZINC001131902115 776708613 /nfs/dbraw/zinc/70/86/13/776708613.db2.gz KMVGNLRFCLPMOV-BXKDBHETSA-N 0 3 273.333 -1.381 20 0 CAADHN COC[C@@]1(C(=O)NCCN[C@H]2CCNC2=O)CCOC1 ZINC001131902069 776708636 /nfs/dbraw/zinc/70/86/36/776708636.db2.gz JMKVCXORIXELRR-GWCFXTLKSA-N 0 3 285.344 -1.366 20 0 CAADHN CO[C@@H](C(=O)NCCNCC(=O)N1CCC1)[C@H]1CCOC1 ZINC001131881257 776708653 /nfs/dbraw/zinc/70/86/53/776708653.db2.gz PPGCUKCVUGTDAN-WCQYABFASA-N 0 3 299.371 -1.024 20 0 CAADHN COC[C@@]1(C(=O)NCCN[C@H]2CCN(C)C2=O)CCOC1 ZINC001131905485 776709046 /nfs/dbraw/zinc/70/90/46/776709046.db2.gz RINIDFPBDZMCFM-FZMZJTMJSA-N 0 3 299.371 -1.024 20 0 CAADHN COC[C@@]1(C(=O)NCCNCC(=O)N2CCC2)CCOC1 ZINC001131898295 776709138 /nfs/dbraw/zinc/70/91/38/776709138.db2.gz HVOBAEJBYCFJNZ-AWEZNQCLSA-N 0 3 299.371 -1.022 20 0 CAADHN Cn1cc(C(=O)NCCNCC(N)=O)c([C@@H]2CCOC2)n1 ZINC001131912859 776709184 /nfs/dbraw/zinc/70/91/84/776709184.db2.gz DTUAEIUCNRKQRQ-SECBINFHSA-N 0 3 295.343 -1.271 20 0 CAADHN Cn1cc(C(=O)NCCNCC(N)=O)c([C@H]2CCOC2)n1 ZINC001131912860 776709388 /nfs/dbraw/zinc/70/93/88/776709388.db2.gz DTUAEIUCNRKQRQ-VIFPVBQESA-N 0 3 295.343 -1.271 20 0 CAADHN COc1nc(C(=O)NCCNCC(=O)NC(N)=O)co1 ZINC001131920936 776709397 /nfs/dbraw/zinc/70/93/97/776709397.db2.gz QHMBVWKWRFORHU-UHFFFAOYSA-N 0 3 285.260 -1.803 20 0 CAADHN COC[C@]1(C(=O)NCCNCC(N)=O)CCOC1 ZINC001131902051 776709441 /nfs/dbraw/zinc/70/94/41/776709441.db2.gz IZZPIAGEFJWWEM-LLVKDONJSA-N 0 3 259.306 -1.769 20 0 CAADHN COC[C@@]1(C(=O)NCCNCC(=O)N(C)C)CCOC1 ZINC001131902034 776709646 /nfs/dbraw/zinc/70/96/46/776709646.db2.gz ITCMARQMUWUMMP-ZDUSSCGKSA-N 0 3 287.360 -1.167 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1coc(OC)n1 ZINC001131921075 776709707 /nfs/dbraw/zinc/70/97/07/776709707.db2.gz XTGVJURQRWYADV-UHFFFAOYSA-N 0 3 299.287 -1.542 20 0 CAADHN O=C(CNCCNC(=O)c1csnn1)N1CCOCC1 ZINC001131972308 776710449 /nfs/dbraw/zinc/71/04/49/776710449.db2.gz JHVCRHKGUIFYQZ-UHFFFAOYSA-N 0 3 299.356 -1.284 20 0 CAADHN CO[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1CCC1 ZINC001131956634 776710626 /nfs/dbraw/zinc/71/06/26/776710626.db2.gz FWHLNDWHDBNKMV-SNVBAGLBSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cnco1 ZINC001132040763 776710767 /nfs/dbraw/zinc/71/07/67/776710767.db2.gz HUCFHXRZBONCRF-ZETCQYMHSA-N 0 3 283.288 -1.162 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1csnn1 ZINC001131972343 776710858 /nfs/dbraw/zinc/71/08/58/776710858.db2.gz KEJDQFBZNMVRPO-UHFFFAOYSA-N 0 3 257.319 -1.006 20 0 CAADHN C[C@@H](NCCNC(=O)c1csnn1)C(=O)NC(N)=O ZINC001131982734 776711131 /nfs/dbraw/zinc/71/11/31/776711131.db2.gz CTNRWFMNBZIZML-RXMQYKEDSA-N 0 3 286.317 -1.559 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1csnn1 ZINC001131979502 776711282 /nfs/dbraw/zinc/71/12/82/776711282.db2.gz QSRQSDZLLFIEIM-UHFFFAOYSA-N 0 3 293.374 -1.593 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1ccnc1)C(=O)NC(N)=O ZINC001132085251 776712391 /nfs/dbraw/zinc/71/23/91/776712391.db2.gz PPXDOSQXZDYFEP-SECBINFHSA-N 0 3 296.331 -1.438 20 0 CAADHN C[C@H](NCCNC(=O)CCn1ccnc1)C(N)=O ZINC001132080007 776712699 /nfs/dbraw/zinc/71/26/99/776712699.db2.gz XALUICIMBPVRHT-VIFPVBQESA-N 0 3 253.306 -1.147 20 0 CAADHN CN(CCNCCNC(=O)c1cnco1)S(C)(=O)=O ZINC001132029525 776712878 /nfs/dbraw/zinc/71/28/78/776712878.db2.gz AONKNQPUFYPRRZ-UHFFFAOYSA-N 0 3 290.345 -1.115 20 0 CAADHN Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCNCC(N)=O ZINC001132055721 776712988 /nfs/dbraw/zinc/71/29/88/776712988.db2.gz FGLPVROWJXDDOG-UHFFFAOYSA-N 0 3 297.315 -1.680 20 0 CAADHN CNC(=O)CNCCNC(=O)CCNC(=O)C(C)(C)C ZINC001132126427 776713077 /nfs/dbraw/zinc/71/30/77/776713077.db2.gz YJEWQOOIHOIVGY-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCn1ccnc1 ZINC001132079939 776713382 /nfs/dbraw/zinc/71/33/82/776713382.db2.gz UDGCXRAXYHWBEI-UHFFFAOYSA-N 0 3 296.331 -1.565 20 0 CAADHN Cc1nc(C(=O)NCC[NH2+]CC(N)=O)nn1-c1nnc[n-]1 ZINC001132109818 776713604 /nfs/dbraw/zinc/71/36/04/776713604.db2.gz RUAJIZOISVRGFZ-UHFFFAOYSA-N 0 3 293.291 -2.501 20 0 CAADHN Cc1nc(C(=O)NCCNCC(N)=O)nn1-c1nc[nH]n1 ZINC001132109818 776713611 /nfs/dbraw/zinc/71/36/11/776713611.db2.gz RUAJIZOISVRGFZ-UHFFFAOYSA-N 0 3 293.291 -2.501 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@]1(F)CCOC1 ZINC001132853134 776752718 /nfs/dbraw/zinc/75/27/18/776752718.db2.gz XIUFQYWTFSRJCP-LLVKDONJSA-N 0 3 261.297 -1.091 20 0 CAADHN Cc1noc(CCC(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001132116229 776713670 /nfs/dbraw/zinc/71/36/70/776713670.db2.gz YJMOTNNMCNDVSW-SSDOTTSWSA-N 0 3 269.305 -1.110 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CC[C@H](C)N(CCO)C1 ZINC001132081378 776713715 /nfs/dbraw/zinc/71/37/15/776713715.db2.gz AAJQIHRIAZQWHB-VHSXEESVSA-N 0 3 272.349 -1.123 20 0 CAADHN Cc1noc(CCC(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001132116234 776713931 /nfs/dbraw/zinc/71/39/31/776713931.db2.gz YJMOTNNMCNDVSW-ZETCQYMHSA-N 0 3 269.305 -1.110 20 0 CAADHN Cc1noc(CCC(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001132115064 776714174 /nfs/dbraw/zinc/71/41/74/776714174.db2.gz LKCKKVKSUHEVDU-SECBINFHSA-N 0 3 281.316 -1.095 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001132188950 776715045 /nfs/dbraw/zinc/71/50/45/776715045.db2.gz JBKLZGKKDRTZBV-UHFFFAOYSA-N 0 3 281.316 -1.136 20 0 CAADHN Cc1nn(C)c(=O)c(C(=O)NCCNCC(N)=O)c1C ZINC001132175337 776715075 /nfs/dbraw/zinc/71/50/75/776715075.db2.gz PBBMWAZPEXPGLL-UHFFFAOYSA-N 0 3 281.316 -1.798 20 0 CAADHN Cc1nn(C)c(=O)c(C(=O)NCCN[C@H](C)C(N)=O)c1C ZINC001132174573 776715093 /nfs/dbraw/zinc/71/50/93/776715093.db2.gz HSRSDMVJKRCHNJ-SECBINFHSA-N 0 3 295.343 -1.410 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn2cccnc12)C(N)=O ZINC001132209775 776715383 /nfs/dbraw/zinc/71/53/83/776715383.db2.gz QNQZTRXYFONLMP-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN Cc1n[nH]cc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001132142957 776715578 /nfs/dbraw/zinc/71/55/78/776715578.db2.gz FNQKZNQIWJNABM-SECBINFHSA-N 0 3 251.290 -1.074 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn2cccnc12)C(N)=O ZINC001132209774 776716030 /nfs/dbraw/zinc/71/60/30/776716030.db2.gz QNQZTRXYFONLMP-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1C ZINC001132256418 776716923 /nfs/dbraw/zinc/71/69/23/776716923.db2.gz ALLVLYLRJSYMRU-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)NCCNCCF)c1=O ZINC001132242136 776717061 /nfs/dbraw/zinc/71/70/61/776717061.db2.gz JNWPBWKMYJAPBC-UHFFFAOYSA-N 0 3 258.253 -1.225 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)NCCN[C@H]2CCNC2=O)c1=O ZINC001132242529 776717345 /nfs/dbraw/zinc/71/73/45/776717345.db2.gz RAICZEVZIITWKO-QMMMGPOBSA-N 0 3 295.299 -2.306 20 0 CAADHN CCN(C)C(=O)C[NH2+]CCNC(=O)c1[n-]nnc1C ZINC001132229610 776717382 /nfs/dbraw/zinc/71/73/82/776717382.db2.gz ROHRTKDHRHJEJD-UHFFFAOYSA-N 0 3 268.321 -1.089 20 0 CAADHN CN1C(=O)CC[C@H]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001132256449 776717998 /nfs/dbraw/zinc/71/79/98/776717998.db2.gz BCMSYBMOPHXDEU-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN COc1ccnc(C(=O)NCCNCC(N)=O)c1 ZINC001132223470 776718076 /nfs/dbraw/zinc/71/80/76/776718076.db2.gz XFLHJERRFPRFHP-UHFFFAOYSA-N 0 3 252.274 -1.105 20 0 CAADHN COc1nn(C)cc1C(=O)NCCN[C@H]1CCNC1=O ZINC001132280458 776718667 /nfs/dbraw/zinc/71/86/67/776718667.db2.gz JYICKQSYBFLDRT-VIFPVBQESA-N 0 3 281.316 -1.363 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccn2nnnc2c1)C(N)=O ZINC001132275611 776718869 /nfs/dbraw/zinc/71/88/69/776718869.db2.gz SAUKCCRKVRXXMD-SECBINFHSA-N 0 3 291.315 -1.292 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@H]2CCC(=O)N2C)C1=O ZINC001132261002 776719012 /nfs/dbraw/zinc/71/90/12/776719012.db2.gz IKHKTEUBTUVPBQ-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN COc1nn(C)cc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001132280457 776719048 /nfs/dbraw/zinc/71/90/48/776719048.db2.gz JYICKQSYBFLDRT-SECBINFHSA-N 0 3 281.316 -1.363 20 0 CAADHN COc1nn(C)cc1C(=O)NCCN[C@H](C)C(N)=O ZINC001132275303 776719342 /nfs/dbraw/zinc/71/93/42/776719342.db2.gz JSRNQGFRWFTCBZ-SSDOTTSWSA-N 0 3 269.305 -1.378 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@H]1CCC(=O)N1C)C(N)=O ZINC001132260707 776719365 /nfs/dbraw/zinc/71/93/65/776719365.db2.gz DLPIKJHULMNBDU-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccn2nnnc2c1 ZINC001132272146 776719491 /nfs/dbraw/zinc/71/94/91/776719491.db2.gz PUXHGUNPLQNBIA-UHFFFAOYSA-N 0 3 277.288 -1.810 20 0 CAADHN CN1C(=O)CC[C@H]1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001132256818 776719503 /nfs/dbraw/zinc/71/95/03/776719503.db2.gz FIVQVWMTJUOOJH-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@@H]2CCC(=O)N2C)C1=O ZINC001132261022 776719913 /nfs/dbraw/zinc/71/99/13/776719913.db2.gz IKHKTEUBTUVPBQ-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CN1C(=O)CC[C@@H]1CC(=O)NCCNCC(N)=O ZINC001132257857 776720190 /nfs/dbraw/zinc/72/01/90/776720190.db2.gz QOOGKDHYEPGYLL-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCCN[C@H]1CCCNC1=O ZINC001132318279 776720711 /nfs/dbraw/zinc/72/07/11/776720711.db2.gz UFCRMDNLYVUMPK-JTQLQIEISA-N 0 3 297.359 -2.597 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)nc1OC ZINC001132278388 776721142 /nfs/dbraw/zinc/72/11/42/776721142.db2.gz WBNCOXCCNPEYLF-MRVPVSSYSA-N 0 3 283.332 -1.117 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1CCNC(=O)C1 ZINC001132318397 776721256 /nfs/dbraw/zinc/72/12/56/776721256.db2.gz YGPJDMFFIFNXBD-UHFFFAOYSA-N 0 3 285.348 -2.788 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CN1CCNC(=O)C1 ZINC001132317493 776721404 /nfs/dbraw/zinc/72/14/04/776721404.db2.gz FWGZAPYVOGXKFB-UHFFFAOYSA-N 0 3 299.375 -2.351 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(C)nc1OC ZINC001132277953 776721684 /nfs/dbraw/zinc/72/16/84/776721684.db2.gz LRYZWFDWYOIGGB-UHFFFAOYSA-N 0 3 269.305 -1.506 20 0 CAADHN Cn1nccc1CNCCNC(=O)CN1CCNC(=O)C1 ZINC001132317694 776721730 /nfs/dbraw/zinc/72/17/30/776721730.db2.gz JUOCDQKEOZNGQV-UHFFFAOYSA-N 0 3 294.359 -1.942 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCCN[C@H]1CCNC1=O ZINC001132317918 776721785 /nfs/dbraw/zinc/72/17/85/776721785.db2.gz OVMOIRGIZDDEPV-VIFPVBQESA-N 0 3 283.332 -2.988 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CC[C@H]1C(N)=O)C1CC1 ZINC001132338152 776722282 /nfs/dbraw/zinc/72/22/82/776722282.db2.gz QNVZZPMOAIBIBK-GHMZBOCLSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001132337282 776722868 /nfs/dbraw/zinc/72/28/68/776722868.db2.gz IOHWMLFUYLZOJV-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)CC(N)=O)C(=O)NC(N)=O ZINC001132337215 776722919 /nfs/dbraw/zinc/72/29/19/776722919.db2.gz HZBVHOKDCBBUOO-NKWVEPMBSA-N 0 3 287.320 -2.213 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132337080 776722937 /nfs/dbraw/zinc/72/29/37/776722937.db2.gz GCZOCCPMJWPVHD-NXEZZACHSA-N 0 3 284.360 -1.318 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCNCC(=O)N1CCCC1 ZINC001132337732 776723028 /nfs/dbraw/zinc/72/30/28/776723028.db2.gz NBGLQWIKAKQZQS-JTQLQIEISA-N 0 3 284.360 -1.174 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132337415 776723137 /nfs/dbraw/zinc/72/31/37/776723137.db2.gz KEVOYRLSNZRACQ-UWVGGRQHSA-N 0 3 284.360 -1.270 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132337603 776723153 /nfs/dbraw/zinc/72/31/53/776723153.db2.gz MMIQDAABRNVKLJ-YUMQZZPRSA-N 0 3 256.306 -2.050 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)CC(N)=O)C(=O)NC1CC1 ZINC001132338830 776723852 /nfs/dbraw/zinc/72/38/52/776723852.db2.gz XKUXGZVQKATURH-DTWKUNHWSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCNCC(=O)NC1CC1 ZINC001132352600 776723986 /nfs/dbraw/zinc/72/39/86/776723986.db2.gz UAUFRQLOXWWLCU-MRVPVSSYSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](C)CC(N)=O ZINC001132352512 776724195 /nfs/dbraw/zinc/72/41/95/776724195.db2.gz RPZYCCTVOQUJHJ-SSDOTTSWSA-N 0 3 287.320 -2.341 20 0 CAADHN NC(=O)[C@H]1CC[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001132339119 776724344 /nfs/dbraw/zinc/72/43/44/776724344.db2.gz ZMKPLTUTISMDTJ-QWRGUYRKSA-N 0 3 296.371 -1.174 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001132352693 776724621 /nfs/dbraw/zinc/72/46/21/776724621.db2.gz VTSMRALSKCNVQE-YUMQZZPRSA-N 0 3 256.306 -1.908 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CN2CCNC(=O)C2)C1=O ZINC001132320868 776724689 /nfs/dbraw/zinc/72/46/89/776724689.db2.gz XODKVZYZFKLETG-JTQLQIEISA-N 0 3 297.359 -2.645 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)CC(N)=O ZINC001132352514 776724726 /nfs/dbraw/zinc/72/47/26/776724726.db2.gz RPZYCCTVOQUJHJ-ZETCQYMHSA-N 0 3 287.320 -2.341 20 0 CAADHN NC(=O)[C@H]1CC[C@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001132339121 776724756 /nfs/dbraw/zinc/72/47/56/776724756.db2.gz ZMKPLTUTISMDTJ-WDEREUQCSA-N 0 3 296.371 -1.174 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001132352692 776724764 /nfs/dbraw/zinc/72/47/64/776724764.db2.gz VTSMRALSKCNVQE-SFYZADRCSA-N 0 3 256.306 -1.908 20 0 CAADHN NC(=O)[C@H]1CC[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001132339016 776724824 /nfs/dbraw/zinc/72/48/24/776724824.db2.gz YLDABXFZTPPBPM-VHSXEESVSA-N 0 3 282.344 -1.518 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001132338825 776724849 /nfs/dbraw/zinc/72/48/49/776724849.db2.gz XKUXGZVQKATURH-BDAKNGLRSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCNCC(=O)N(C)C ZINC001132345400 776725796 /nfs/dbraw/zinc/72/57/96/776725796.db2.gz PSPLFCVEGBWNRU-QMMMGPOBSA-N 0 3 258.322 -1.708 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H](C)CC(N)=O)C1=O ZINC001132345381 776725815 /nfs/dbraw/zinc/72/58/15/776725815.db2.gz PKPOANZSYWWKLG-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H](C)CC(N)=O ZINC001132345975 776725849 /nfs/dbraw/zinc/72/58/49/776725849.db2.gz ZDJSEWUZRFVIHZ-JTQLQIEISA-N 0 3 286.376 -1.024 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@H]1CCCNC1=O ZINC001132342183 776726013 /nfs/dbraw/zinc/72/60/13/776726013.db2.gz XVCOQZBEBWYUTQ-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001132344678 776726025 /nfs/dbraw/zinc/72/60/25/776726025.db2.gz IYRFTFWVRRNBQZ-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001132344482 776726078 /nfs/dbraw/zinc/72/60/78/776726078.db2.gz HNURNIUIVTZTOT-HTQZYQBOSA-N 0 3 284.316 -1.991 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCNCC(=O)NC(N)=O ZINC001132345928 776726118 /nfs/dbraw/zinc/72/61/18/776726118.db2.gz YGKOXOPTCAXRPD-LURJTMIESA-N 0 3 273.293 -2.601 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001132344682 776726127 /nfs/dbraw/zinc/72/61/27/776726127.db2.gz IYRFTFWVRRNBQZ-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H](C)CC(N)=O)C1=O ZINC001132345377 776726177 /nfs/dbraw/zinc/72/61/77/776726177.db2.gz PKPOANZSYWWKLG-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H](C)CC(N)=O ZINC001132344492 776726353 /nfs/dbraw/zinc/72/63/53/776726353.db2.gz HUUPOSJCMJDOFR-SECBINFHSA-N 0 3 272.349 -1.270 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H](C)CC(N)=O ZINC001132349651 776726800 /nfs/dbraw/zinc/72/68/00/776726800.db2.gz KQKKYXVZQOEELN-VIFPVBQESA-N 0 3 272.349 -1.318 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132355844 776727472 /nfs/dbraw/zinc/72/74/72/776727472.db2.gz KNKAMVVHCGTJPM-SNVBAGLBSA-N 0 3 265.317 -1.238 20 0 CAADHN Cn1c(C(=O)NCCNCC(=O)NC(N)=O)c[nH]c1=O ZINC001132367033 776727655 /nfs/dbraw/zinc/72/76/55/776727655.db2.gz JQEALPRTVCXDIZ-UHFFFAOYSA-N 0 3 284.276 -2.360 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H](C)CC(N)=O ZINC001132349650 776727717 /nfs/dbraw/zinc/72/77/17/776727717.db2.gz KQKKYXVZQOEELN-SECBINFHSA-N 0 3 272.349 -1.318 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132355801 776727817 /nfs/dbraw/zinc/72/78/17/776727817.db2.gz JXDBWLDVNQZLBY-LLVKDONJSA-N 0 3 296.371 -1.303 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001132355470 776728123 /nfs/dbraw/zinc/72/81/23/776728123.db2.gz AIKXJHDWQJHZHO-SNVBAGLBSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCNCC(=O)NCC1CC1 ZINC001132349691 776728272 /nfs/dbraw/zinc/72/82/72/776728272.db2.gz LRANCEOLTBKSBD-VIFPVBQESA-N 0 3 284.360 -1.270 20 0 CAADHN C[C@@H](NCCNC(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001132367192 776728298 /nfs/dbraw/zinc/72/82/98/776728298.db2.gz QSMORQMLQPZNRC-ZCFIWIBFSA-N 0 3 255.278 -1.681 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1CCNC1=O ZINC001132358825 776728919 /nfs/dbraw/zinc/72/89/19/776728919.db2.gz IGPXMCUMSBUVDV-HTQZYQBOSA-N 0 3 282.300 -2.367 20 0 CAADHN CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132358853 776728945 /nfs/dbraw/zinc/72/89/45/776728945.db2.gz JACNXKRZFJNIMW-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC1=O)NC1CC1 ZINC001132358232 776729023 /nfs/dbraw/zinc/72/90/23/776729023.db2.gz BLOQIWORURFDKA-VIFPVBQESA-N 0 3 268.317 -1.893 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC1=O)N1CCC1 ZINC001132356193 776729083 /nfs/dbraw/zinc/72/90/83/776729083.db2.gz RJEIDBLPLAABFQ-SECBINFHSA-N 0 3 268.317 -1.939 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@@H]2CCNC2=O)cn1 ZINC001132356141 776729170 /nfs/dbraw/zinc/72/91/70/776729170.db2.gz QMWLYAFQHJDIML-SNVBAGLBSA-N 0 3 265.317 -1.238 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC1=O)N1CCCCC1 ZINC001132356495 776729282 /nfs/dbraw/zinc/72/92/82/776729282.db2.gz XOYKQGVSYATJMR-NSHDSACASA-N 0 3 296.371 -1.159 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132358617 776729631 /nfs/dbraw/zinc/72/96/31/776729631.db2.gz GJTSJFZQWHXDGQ-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132358272 776729700 /nfs/dbraw/zinc/72/97/00/776729700.db2.gz CMKCAKWKIRNSFW-VIFPVBQESA-N 0 3 270.333 -1.647 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132358271 776729770 /nfs/dbraw/zinc/72/97/70/776729770.db2.gz CMKCAKWKIRNSFW-SECBINFHSA-N 0 3 270.333 -1.647 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1CCNC1=O ZINC001132358828 776729909 /nfs/dbraw/zinc/72/99/09/776729909.db2.gz IGPXMCUMSBUVDV-YUMQZZPRSA-N 0 3 282.300 -2.367 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132358455 776730014 /nfs/dbraw/zinc/73/00/14/776730014.db2.gz FDRXXKHUHCTZGY-MRVPVSSYSA-N 0 3 299.331 -2.326 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132358615 776730251 /nfs/dbraw/zinc/73/02/51/776730251.db2.gz GJTSJFZQWHXDGQ-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132359484 776731107 /nfs/dbraw/zinc/73/11/07/776731107.db2.gz QGULWBIFZHFMKR-SNVBAGLBSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132362945 776731190 /nfs/dbraw/zinc/73/11/90/776731190.db2.gz OWZFSWUHWUWYMA-GHMZBOCLSA-N 0 3 298.387 -1.024 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132359571 776731364 /nfs/dbraw/zinc/73/13/64/776731364.db2.gz RVAUHJQYLWCREE-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132360177 776731387 /nfs/dbraw/zinc/73/13/87/776731387.db2.gz WJJFXHCFYKQJCN-ZCFIWIBFSA-N 0 3 271.277 -2.977 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132362950 776731630 /nfs/dbraw/zinc/73/16/30/776731630.db2.gz OWZFSWUHWUWYMA-WDEREUQCSA-N 0 3 298.387 -1.024 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CN(C)C(=O)N1)C(=O)N(C)C ZINC001132385952 776731908 /nfs/dbraw/zinc/73/19/08/776731908.db2.gz CICWXXDGVIWQMQ-DTWKUNHWSA-N 0 3 285.348 -1.808 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)NC1=O ZINC001132387511 776732499 /nfs/dbraw/zinc/73/24/99/776732499.db2.gz USYHHZMJVCKRRQ-JGVFFNPUSA-N 0 3 297.315 -2.479 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132386130 776732541 /nfs/dbraw/zinc/73/25/41/776732541.db2.gz FAXUJPIWBTYRSS-SNVBAGLBSA-N 0 3 299.375 -1.417 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132387012 776732657 /nfs/dbraw/zinc/73/26/57/776732657.db2.gz ODJDPAGHXQNNFT-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)NC2CC2)NC1=O ZINC001132386526 776732802 /nfs/dbraw/zinc/73/28/02/776732802.db2.gz JGHVYZLPEIHDBT-VIFPVBQESA-N 0 3 283.332 -2.006 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132387265 776732819 /nfs/dbraw/zinc/73/28/19/776732819.db2.gz QPBFVJDZBXOWFA-HTQZYQBOSA-N 0 3 271.321 -2.150 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132386461 776732861 /nfs/dbraw/zinc/73/28/61/776732861.db2.gz HMZJRTXCKGEZDS-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132386832 776733054 /nfs/dbraw/zinc/73/30/54/776733054.db2.gz MKVYGFKJWOPVMF-QMMMGPOBSA-N 0 3 271.321 -2.148 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2CN(C)C(=O)N2)C1=O ZINC001132387377 776733202 /nfs/dbraw/zinc/73/32/02/776733202.db2.gz RDLBDLODFPHAQM-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)NC(N)=O)NC1=O ZINC001132386472 776733225 /nfs/dbraw/zinc/73/32/25/776733225.db2.gz HQRBOUAINJFJQG-ZCFIWIBFSA-N 0 3 286.292 -3.089 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132386121 776733246 /nfs/dbraw/zinc/73/32/46/776733246.db2.gz DXRSVRCRSTVUHH-MRVPVSSYSA-N 0 3 271.321 -2.196 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@H]2CCCNC2=O)NC1=O ZINC001132387663 776734117 /nfs/dbraw/zinc/73/41/17/776734117.db2.gz XLBSPFOARRAEAQ-DTWKUNHWSA-N 0 3 283.332 -2.006 20 0 CAADHN C[C@@H](NCCNC(=O)c1c[nH]c(=O)n1C)C(=O)N(C)C ZINC001132369874 776734147 /nfs/dbraw/zinc/73/41/47/776734147.db2.gz CCWLSQLUXBZHQG-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCNC1=O ZINC001132376636 776734273 /nfs/dbraw/zinc/73/42/73/776734273.db2.gz PZKDZJZKPFUMIK-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132376603 776734336 /nfs/dbraw/zinc/73/43/36/776734336.db2.gz PPDXBWIMSFSYDP-WDEREUQCSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCNC1=O)C(=O)NC1CC1 ZINC001132377093 776734376 /nfs/dbraw/zinc/73/43/76/776734376.db2.gz STMLHMMDWWVKKS-PSASIEDQSA-N 0 3 282.344 -1.505 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)NC1=O ZINC001132387662 776734430 /nfs/dbraw/zinc/73/44/30/776734430.db2.gz XLBSPFOARRAEAQ-BDAKNGLRSA-N 0 3 283.332 -2.006 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132376600 776734458 /nfs/dbraw/zinc/73/44/58/776734458.db2.gz PPDXBWIMSFSYDP-MNOVXSKESA-N 0 3 296.371 -1.162 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132376601 776734614 /nfs/dbraw/zinc/73/46/14/776734614.db2.gz PPDXBWIMSFSYDP-QWRGUYRKSA-N 0 3 296.371 -1.162 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@H]1CCNC1=O ZINC001132375354 776734938 /nfs/dbraw/zinc/73/49/38/776734938.db2.gz IXVHIRSNRZDGAX-QMMMGPOBSA-N 0 3 292.361 -2.623 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001132387764 776735028 /nfs/dbraw/zinc/73/50/28/776735028.db2.gz ZMMZSXQINJJDQM-SFYZADRCSA-N 0 3 271.321 -2.020 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCNC1=O ZINC001132376357 776735155 /nfs/dbraw/zinc/73/51/55/776735155.db2.gz OHBWBOZWLVOYHW-HTQZYQBOSA-N 0 3 299.331 -2.328 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCNC1=O ZINC001132376638 776735172 /nfs/dbraw/zinc/73/51/72/776735172.db2.gz PZKDZJZKPFUMIK-WDEREUQCSA-N 0 3 298.387 -1.011 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCNC1=O)C(N)=O ZINC001132377622 776735833 /nfs/dbraw/zinc/73/58/33/776735833.db2.gz YDASXJQIGLVEKR-HTQZYQBOSA-N 0 3 256.306 -1.908 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001132379269 776736086 /nfs/dbraw/zinc/73/60/86/776736086.db2.gz AHZOWXMUSHHDKY-MRVPVSSYSA-N 0 3 281.316 -1.324 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)NC(C)(C)C)NC1=O ZINC001132382297 776736283 /nfs/dbraw/zinc/73/62/83/776736283.db2.gz HNQDXUMYQGVXDF-SECBINFHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCN(C(=O)CNCCNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001132377408 776736853 /nfs/dbraw/zinc/73/68/53/776736853.db2.gz WPJKCUJBGDWABF-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCCNC(=O)c1c[nH]c(=O)n1C)C(=O)NC(N)=O ZINC001132382288 776737084 /nfs/dbraw/zinc/73/70/84/776737084.db2.gz HHNHODXGFMKVTP-LURJTMIESA-N 0 3 298.303 -1.972 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132377693 776737206 /nfs/dbraw/zinc/73/72/06/776737206.db2.gz ZFEPFSXPFJRLLJ-SNVBAGLBSA-N 0 3 284.360 -1.400 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001132382750 776737322 /nfs/dbraw/zinc/73/73/22/776737322.db2.gz QIWFZDLRZBVCII-SNVBAGLBSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132382486 776737344 /nfs/dbraw/zinc/73/73/44/776737344.db2.gz KHYYUHRUOASUTJ-ZETCQYMHSA-N 0 3 257.294 -2.538 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)NCC2CC2)NC1=O ZINC001132382798 776737372 /nfs/dbraw/zinc/73/73/72/776737372.db2.gz RIJCWZZFRXEZNH-JTQLQIEISA-N 0 3 297.359 -1.758 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCc2ccnn2C)NC1=O ZINC001132383061 776737902 /nfs/dbraw/zinc/73/79/02/776737902.db2.gz WMSIHJPOKWELEI-JTQLQIEISA-N 0 3 280.332 -1.351 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CN(C)C(=O)N2)C1=O ZINC001132391487 776738025 /nfs/dbraw/zinc/73/80/25/776738025.db2.gz KKWMBSXYZXLVOW-BDAKNGLRSA-N 0 3 283.332 -2.054 20 0 CAADHN CC[C@H](F)C(=O)NCCNCC(=O)NC(=O)NC ZINC001132433719 776738180 /nfs/dbraw/zinc/73/81/80/776738180.db2.gz STLYIGGOSHQCQF-ZETCQYMHSA-N 0 3 262.285 -1.104 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1C[C@H]1C)C(=O)NC(N)=O ZINC001132423508 776738352 /nfs/dbraw/zinc/73/83/52/776738352.db2.gz CQQMGIKLLMVSKC-GJMOJQLCSA-N 0 3 256.306 -1.068 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132383029 776738617 /nfs/dbraw/zinc/73/86/17/776738617.db2.gz VXZJIUBVQXCVRY-VIFPVBQESA-N 0 3 285.348 -1.806 20 0 CAADHN CN1C[C@H](C(=O)NCCNCc2ccnn2C)NC1=O ZINC001132383062 776738717 /nfs/dbraw/zinc/73/87/17/776738717.db2.gz WMSIHJPOKWELEI-SNVBAGLBSA-N 0 3 280.332 -1.351 20 0 CAADHN Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132383058 776738808 /nfs/dbraw/zinc/73/88/08/776738808.db2.gz WKCODXKNKGFZJJ-NSHDSACASA-N 0 3 294.359 -1.042 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132402756 776738869 /nfs/dbraw/zinc/73/88/69/776738869.db2.gz XVUXYKIYWHBUMR-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)NC1CC1 ZINC001132402516 776738942 /nfs/dbraw/zinc/73/89/42/776738942.db2.gz RNOMDHCQOFCGMV-WPRPVWTQSA-N 0 3 297.359 -1.617 20 0 CAADHN Cn1nnc(C(=O)NCCNCC(=O)NCC2CCC2)n1 ZINC001132523574 776739533 /nfs/dbraw/zinc/73/95/33/776739533.db2.gz OYXRRVXADDBROQ-UHFFFAOYSA-N 0 3 295.347 -1.554 20 0 CAADHN Cn1nnc(C(=O)NCCNCC(=O)NC2CCCC2)n1 ZINC001132523463 776739698 /nfs/dbraw/zinc/73/96/98/776739698.db2.gz KIFZTUOPQOZZIZ-UHFFFAOYSA-N 0 3 295.347 -1.412 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523576 776739899 /nfs/dbraw/zinc/73/98/99/776739899.db2.gz PAFSOYASYHIILY-UHFFFAOYSA-N 0 3 283.336 -1.602 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001132519782 776739913 /nfs/dbraw/zinc/73/99/13/776739913.db2.gz LVDFFIZEERUFSO-ZETCQYMHSA-N 0 3 285.304 -2.492 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519898 776739978 /nfs/dbraw/zinc/73/99/78/776739978.db2.gz QFWHVTMURYLTBL-QMMMGPOBSA-N 0 3 256.306 -1.941 20 0 CAADHN Cn1nnc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)n1 ZINC001132523610 776740031 /nfs/dbraw/zinc/74/00/31/776740031.db2.gz RBOZHCZCZUGTCP-LURJTMIESA-N 0 3 281.276 -2.665 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C)C1CC1 ZINC001132519578 776740139 /nfs/dbraw/zinc/74/01/39/776740139.db2.gz CVYNDFLRQNNLFH-NSHDSACASA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001132519551 776740260 /nfs/dbraw/zinc/74/02/60/776740260.db2.gz BPHQRNNGSTWTMB-SFYZADRCSA-N 0 3 256.306 -1.813 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519659 776740300 /nfs/dbraw/zinc/74/03/00/776740300.db2.gz HCXUIWGHYBWOHU-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523642 776740463 /nfs/dbraw/zinc/74/04/63/776740463.db2.gz RVVXCGKGOUZFRO-UHFFFAOYSA-N 0 3 298.307 -2.625 20 0 CAADHN Cc1nn(C)cc1CNCCNC(=O)c1nnn(C)n1 ZINC001132523406 776740478 /nfs/dbraw/zinc/74/04/78/776740478.db2.gz HVLIIBADVNSJBV-UHFFFAOYSA-N 0 3 278.320 -1.228 20 0 CAADHN CC(C)[C@H](C)NC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523558 776740613 /nfs/dbraw/zinc/74/06/13/776740613.db2.gz OCOOZFXYDXAFAO-VIFPVBQESA-N 0 3 297.363 -1.310 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523522 776740636 /nfs/dbraw/zinc/74/06/36/776740636.db2.gz MJRUHTXPIGOIDV-UHFFFAOYSA-N 0 3 255.282 -2.334 20 0 CAADHN Cn1nnc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001132523772 776741317 /nfs/dbraw/zinc/74/13/17/776741317.db2.gz YIKZIBZWMXUJJO-UHFFFAOYSA-N 0 3 270.253 -3.276 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132527177 776741764 /nfs/dbraw/zinc/74/17/64/776741764.db2.gz OSGISQXZIQYOET-LURJTMIESA-N 0 3 255.282 -2.336 20 0 CAADHN Cn1nnc(C(=O)NCCN[C@H]2CCN(C)C2=O)n1 ZINC001132526789 776741934 /nfs/dbraw/zinc/74/19/34/776741934.db2.gz CXGILNAYMUYVMI-ZETCQYMHSA-N 0 3 267.293 -2.240 20 0 CAADHN Cn1nnc(C(=O)NCCNCC(=O)NC(C)(C)C)n1 ZINC001132523789 776741874 /nfs/dbraw/zinc/74/18/74/776741874.db2.gz ZGCUBBZIPHFTAY-UHFFFAOYSA-N 0 3 283.336 -1.556 20 0 CAADHN CCCC[C@H](NCCNC(=O)c1nnn(C)n1)C(N)=O ZINC001132527108 776742009 /nfs/dbraw/zinc/74/20/09/776742009.db2.gz MGAGTZOXFJBVPP-QMMMGPOBSA-N 0 3 283.336 -1.426 20 0 CAADHN CN(C(=O)CNCCNC(=O)c1nnn(C)n1)C1CC1 ZINC001132523749 776742146 /nfs/dbraw/zinc/74/21/46/776742146.db2.gz XPYOARWMECXRMO-UHFFFAOYSA-N 0 3 281.320 -1.850 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)c2nnn(C)n2)C1=O ZINC001132527298 776742525 /nfs/dbraw/zinc/74/25/25/776742525.db2.gz USHJMCTZSYHVTG-SECBINFHSA-N 0 3 295.347 -1.461 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132528614 776742532 /nfs/dbraw/zinc/74/25/32/776742532.db2.gz QDWZXOINWWQFTE-QMMMGPOBSA-N 0 3 283.336 -1.556 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)N(C)C ZINC001132531920 776742640 /nfs/dbraw/zinc/74/26/40/776742640.db2.gz VGISDPKZCOXBHK-UWVGGRQHSA-N 0 3 284.360 -1.210 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523300 776742986 /nfs/dbraw/zinc/74/29/86/776742986.db2.gz BPOHBMHQMZPNFA-UHFFFAOYSA-N 0 3 269.309 -1.992 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001132532051 776742768 /nfs/dbraw/zinc/74/27/68/776742768.db2.gz ZZZHEFBRHVXBRO-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](NCCNC(=O)c1nnn(C)n1)C(=O)NC1CC1 ZINC001132528892 776743067 /nfs/dbraw/zinc/74/30/67/776743067.db2.gz VVYGAOXOMYCNGJ-ZETCQYMHSA-N 0 3 281.320 -1.803 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)c1nnn(C)n1)C1CC1 ZINC001132528053 776743197 /nfs/dbraw/zinc/74/31/97/776743197.db2.gz BEEGYUXMXUIUCA-MRVPVSSYSA-N 0 3 295.347 -1.556 20 0 CAADHN CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132531625 776743216 /nfs/dbraw/zinc/74/32/16/776743216.db2.gz KEUZGXRVUQFFOD-RKDXNWHRSA-N 0 3 297.363 -1.167 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132528870 776743354 /nfs/dbraw/zinc/74/33/54/776743354.db2.gz VDOHVXXWTUCAGQ-VIFPVBQESA-N 0 3 297.363 -1.310 20 0 CAADHN CCCCNC(=O)[C@@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132531796 776743505 /nfs/dbraw/zinc/74/35/05/776743505.db2.gz QGUFPIPHYXSFLH-SECBINFHSA-N 0 3 297.363 -1.166 20 0 CAADHN CCC[C@H](C)NC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132528047 776743616 /nfs/dbraw/zinc/74/36/16/776743616.db2.gz AVKSDPKHAKSOLD-VIFPVBQESA-N 0 3 297.363 -1.166 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001132528826 776743644 /nfs/dbraw/zinc/74/36/44/776743644.db2.gz SUUJXUAZYSPSKG-IUCAKERBSA-N 0 3 296.327 -1.882 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)N2C)C1=O ZINC001132528694 776743659 /nfs/dbraw/zinc/74/36/59/776743659.db2.gz RJMBLMPOCZCFHA-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001132528825 776743692 /nfs/dbraw/zinc/74/36/92/776743692.db2.gz SUUJXUAZYSPSKG-BDAKNGLRSA-N 0 3 296.327 -1.882 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605384 776744086 /nfs/dbraw/zinc/74/40/86/776744086.db2.gz NMJGDBBWZVNPGF-QCBRBAQYSA-N 0 3 281.312 -1.610 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605443 776744147 /nfs/dbraw/zinc/74/41/47/776744147.db2.gz PVADXXYJUMOYAF-YTWAJWBKSA-N 0 3 267.329 -1.137 20 0 CAADHN CC(C)[C@@H](F)C(=O)NCCNCC(=O)NC(N)=O ZINC001132553121 776744238 /nfs/dbraw/zinc/74/42/38/776744238.db2.gz DAWLQEYUVFJQLD-MRVPVSSYSA-N 0 3 262.285 -1.119 20 0 CAADHN Cc1cnn(C)c1C(=O)NCCN[C@H]1CCNC1=O ZINC001132548473 776744341 /nfs/dbraw/zinc/74/43/41/776744341.db2.gz MWPGFBACTJHTLO-VIFPVBQESA-N 0 3 265.317 -1.064 20 0 CAADHN Cc1cnn(C)c1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001132548236 776744490 /nfs/dbraw/zinc/74/44/90/776744490.db2.gz HZSPLVCTVWSGMJ-SECBINFHSA-N 0 3 293.327 -1.147 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCN(C)C2=O)C1=O ZINC001132612700 776744599 /nfs/dbraw/zinc/74/45/99/776744599.db2.gz OLUASVRIDGHBSG-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132612589 776744701 /nfs/dbraw/zinc/74/47/01/776744701.db2.gz KEZIBLIPCWWQPJ-NSHDSACASA-N 0 3 298.387 -1.057 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC1CC1 ZINC001132605613 776744788 /nfs/dbraw/zinc/74/47/88/776744788.db2.gz YVXIETFNWOBGAS-IAZYJMLFSA-N 0 3 267.329 -1.137 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605444 776744897 /nfs/dbraw/zinc/74/48/97/776744897.db2.gz PVADXXYJUMOYAF-ZRUFSTJUSA-N 0 3 267.329 -1.137 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132612593 776744928 /nfs/dbraw/zinc/74/49/28/776744928.db2.gz KTOMMHGCLYWWJK-AXTSPUMRSA-N 0 3 255.318 -1.281 20 0 CAADHN Cc1cnn(C)c1C(=O)NCCN[C@@H]1CCNC1=O ZINC001132548466 776744995 /nfs/dbraw/zinc/74/49/95/776744995.db2.gz MWPGFBACTJHTLO-SECBINFHSA-N 0 3 265.317 -1.064 20 0 CAADHN Cc1cnn(C)c1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001132548237 776745100 /nfs/dbraw/zinc/74/51/00/776745100.db2.gz HZSPLVCTVWSGMJ-VIFPVBQESA-N 0 3 293.327 -1.147 20 0 CAADHN CN1CC[C@@H](C(=O)NCCNCC(=O)NCC2CC2)C1=O ZINC001132608994 776745781 /nfs/dbraw/zinc/74/57/81/776745781.db2.gz NSFDVDXBEDNUBX-NSHDSACASA-N 0 3 296.371 -1.303 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCN(C)C2=O)C1=O ZINC001132624305 776745853 /nfs/dbraw/zinc/74/58/53/776745853.db2.gz MQGPMQYQYXRFDJ-NXEZZACHSA-N 0 3 282.344 -1.599 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCN(C)C1=O)C(=O)N(C)C ZINC001132624964 776745977 /nfs/dbraw/zinc/74/59/77/776745977.db2.gz URGMXVGWXHROTE-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCN(C)C1=O)C(=O)N(C)C ZINC001132624969 776746045 /nfs/dbraw/zinc/74/60/45/776746045.db2.gz URGMXVGWXHROTE-ZJUUUORDSA-N 0 3 284.360 -1.353 20 0 CAADHN CN1CC[C@H](C(=O)NCCNCC(=O)NCC2CC2)C1=O ZINC001132608993 776746125 /nfs/dbraw/zinc/74/61/25/776746125.db2.gz NSFDVDXBEDNUBX-LLVKDONJSA-N 0 3 296.371 -1.303 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132609015 776746269 /nfs/dbraw/zinc/74/62/69/776746269.db2.gz OHHLIORSGRKCLE-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN CN1CC[C@H](C(=O)NCCNCC(=O)N2CCC2)C1=O ZINC001132608345 776746288 /nfs/dbraw/zinc/74/62/88/776746288.db2.gz CSVBSPPXSCCMAK-SNVBAGLBSA-N 0 3 282.344 -1.597 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132616474 776746490 /nfs/dbraw/zinc/74/64/90/776746490.db2.gz WSPDCXSRZSVHAI-AXTSPUMRSA-N 0 3 298.343 -1.571 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCN(C)C1=O)C(N)=O ZINC001132608417 776746819 /nfs/dbraw/zinc/74/68/19/776746819.db2.gz DMXONNRVNLTPEL-SFYZADRCSA-N 0 3 256.306 -1.956 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NCC[NH2+]CCOCCO ZINC001132706466 776747442 /nfs/dbraw/zinc/74/74/42/776747442.db2.gz JATALAWRRGTOIM-UHFFFAOYSA-N 0 3 284.316 -1.181 20 0 CAADHN COC[C@H](O)C[NH2+]CCNC(=O)c1c(C)nc[n-]c1=O ZINC001132706543 776747586 /nfs/dbraw/zinc/74/75/86/776747586.db2.gz MUZZXPVICIMGNR-SECBINFHSA-N 0 3 284.316 -1.183 20 0 CAADHN CNC(=O)CNCCNC(=O)c1csc(=O)[nH]1 ZINC001132643770 776748287 /nfs/dbraw/zinc/74/82/87/776748287.db2.gz GCFQURWCPBRSOE-UHFFFAOYSA-N 0 3 258.303 -1.086 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132609219 776748504 /nfs/dbraw/zinc/74/85/04/776748504.db2.gz UDVQGKUMRHMSRX-VIFPVBQESA-N 0 3 270.333 -1.741 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001132762047 776750451 /nfs/dbraw/zinc/75/04/51/776750451.db2.gz FZUYEQRCHPPQBC-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CC(C)N1C(=O)CC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001132797789 776750606 /nfs/dbraw/zinc/75/06/06/776750606.db2.gz CBAGVKWYAYEGPR-MNOVXSKESA-N 0 3 296.371 -1.020 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001132763068 776750656 /nfs/dbraw/zinc/75/06/56/776750656.db2.gz VZBRCGJIGUUVSD-DTWKUNHWSA-N 0 3 268.317 -1.799 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1C)C1CC1 ZINC001132761801 776750824 /nfs/dbraw/zinc/75/08/24/776750824.db2.gz CVYNDFLRQNNLFH-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1cnoc1 ZINC001132759200 776750891 /nfs/dbraw/zinc/75/08/91/776750891.db2.gz NWBLIPUQZJLRIN-MRVPVSSYSA-N 0 3 297.315 -1.233 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC(=O)N1C ZINC001132763807 776750957 /nfs/dbraw/zinc/75/09/57/776750957.db2.gz AIWOTKNLFZTQNV-DTWKUNHWSA-N 0 3 270.333 -1.553 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1C ZINC001132762128 776751078 /nfs/dbraw/zinc/75/10/78/776751078.db2.gz HCXUIWGHYBWOHU-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cc1cnoc1 ZINC001132759165 776751222 /nfs/dbraw/zinc/75/12/22/776751222.db2.gz MHDUQGCWRNBBPF-UHFFFAOYSA-N 0 3 290.345 -1.528 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001132763818 776751354 /nfs/dbraw/zinc/75/13/54/776751354.db2.gz AVGKAJBJAPDXCY-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001132764432 776751390 /nfs/dbraw/zinc/75/13/90/776751390.db2.gz SUUJXUAZYSPSKG-RKDXNWHRSA-N 0 3 296.327 -1.882 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001132784289 776751418 /nfs/dbraw/zinc/75/14/18/776751418.db2.gz OSBRBKPJXILVTE-LBPRGKRZSA-N 0 3 298.387 -1.179 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001132794623 776751712 /nfs/dbraw/zinc/75/17/12/776751712.db2.gz BQKMXHKPMHUYMS-JTQLQIEISA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC(=O)N1C)C(=O)NC1CC1 ZINC001132767581 776751725 /nfs/dbraw/zinc/75/17/25/776751725.db2.gz KUVAYGQEROCHJX-GXSJLCMTSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1C ZINC001132762764 776751740 /nfs/dbraw/zinc/75/17/40/776751740.db2.gz QFWHVTMURYLTBL-MRVPVSSYSA-N 0 3 256.306 -1.941 20 0 CAADHN CC(C)N1CCO[C@@H](C(=O)NCCNCC(N)=O)C1 ZINC001132859298 776752016 /nfs/dbraw/zinc/75/20/16/776752016.db2.gz ZBPXJYOXSQPSNZ-SNVBAGLBSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@]1(F)CCOC1 ZINC001132852072 776752052 /nfs/dbraw/zinc/75/20/52/776752052.db2.gz GYALBXCUHCFBQC-GZMMTYOYSA-N 0 3 261.297 -1.045 20 0 CAADHN NC(=O)CNCCNC(=O)CCc1ccc(=O)[nH]c1 ZINC001132844078 776752090 /nfs/dbraw/zinc/75/20/90/776752090.db2.gz GOVFPYJUEWNWMJ-UHFFFAOYSA-N 0 3 266.301 -1.089 20 0 CAADHN CC(C)N1CCO[C@H](C(=O)NCCNCC(N)=O)C1 ZINC001132859297 776752151 /nfs/dbraw/zinc/75/21/51/776752151.db2.gz ZBPXJYOXSQPSNZ-JTQLQIEISA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001132848853 776752336 /nfs/dbraw/zinc/75/23/36/776752336.db2.gz UHJULPOGYORCIX-NSHDSACASA-N 0 3 286.376 -1.453 20 0 CAADHN CC(C)N1CCO[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001132858837 776752477 /nfs/dbraw/zinc/75/24/77/776752477.db2.gz LNPYPFWXFFRABT-NWDGAFQWSA-N 0 3 298.387 -1.310 20 0 CAADHN CC(C)N1CCO[C@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001132848416 776752676 /nfs/dbraw/zinc/75/26/76/776752676.db2.gz HSAFMBQSUZOVFF-MNOVXSKESA-N 0 3 286.376 -1.325 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@]1(F)CCOC1 ZINC001132867882 776752817 /nfs/dbraw/zinc/75/28/17/776752817.db2.gz QVAJYEUGZYNEMP-KWQFWETISA-N 0 3 259.281 -1.291 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC(N)=O)c1cncnc1 ZINC001132816187 776752923 /nfs/dbraw/zinc/75/29/23/776752923.db2.gz FKIPEEQOXSIFCB-QMMMGPOBSA-N 0 3 294.315 -1.519 20 0 CAADHN C[C@H](NCCNC(=O)[C@@]1(F)CCOC1)C(=O)NC(N)=O ZINC001132867602 776752938 /nfs/dbraw/zinc/75/29/38/776752938.db2.gz JLFJVHMQAOKWNI-WRWORJQWSA-N 0 3 290.295 -1.596 20 0 CAADHN CC(C)N1CCO[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001132848418 776752976 /nfs/dbraw/zinc/75/29/76/776752976.db2.gz HSAFMBQSUZOVFF-WDEREUQCSA-N 0 3 286.376 -1.325 20 0 CAADHN CC(C)N1CCO[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001132858838 776753101 /nfs/dbraw/zinc/75/31/01/776753101.db2.gz LNPYPFWXFFRABT-RYUDHWBXSA-N 0 3 298.387 -1.310 20 0 CAADHN CC(=O)N[C@H](CC1CCC1)C(=O)NCCNCC(N)=O ZINC001132834694 776753141 /nfs/dbraw/zinc/75/31/41/776753141.db2.gz OVYADXLTKRDKJS-LLVKDONJSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@H](C(=O)NCCNCC(N)=O)c1cncnc1 ZINC001132820332 776753332 /nfs/dbraw/zinc/75/33/32/776753332.db2.gz LSECKTILRXHMIY-QMMMGPOBSA-N 0 3 251.290 -1.229 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@]1(F)CCOC1 ZINC001132852190 776753367 /nfs/dbraw/zinc/75/33/67/776753367.db2.gz JHCYUAXNDKLSID-PELKAZGASA-N 0 3 287.291 -1.374 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001132917100 776753827 /nfs/dbraw/zinc/75/38/27/776753827.db2.gz XDYJPUUFSHLGMU-VIFPVBQESA-N 0 3 294.359 -1.628 20 0 CAADHN C[C@H]1CCN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(N)=O ZINC001132945539 776753912 /nfs/dbraw/zinc/75/39/12/776753912.db2.gz MSNGHMCIHKFTBV-DTWKUNHWSA-N 0 3 280.332 -1.022 20 0 CAADHN Cn1cc(OCC(=O)NCCN[C@@H]2CCNC2=O)cn1 ZINC001132961139 776754074 /nfs/dbraw/zinc/75/40/74/776754074.db2.gz JDJDLMPDKATHOC-SNVBAGLBSA-N 0 3 281.316 -1.607 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001132917099 776754129 /nfs/dbraw/zinc/75/41/29/776754129.db2.gz XDYJPUUFSHLGMU-SECBINFHSA-N 0 3 294.359 -1.628 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)COc1cnn(C)c1 ZINC001132964586 776754232 /nfs/dbraw/zinc/75/42/32/776754232.db2.gz VXLVXDUKSOECNQ-SECBINFHSA-N 0 3 283.332 -1.361 20 0 CAADHN CC[C@@H](NCCNC(=O)COc1cnn(C)c1)C(N)=O ZINC001132964200 776754259 /nfs/dbraw/zinc/75/42/59/776754259.db2.gz FMKZBTAKXYGNQR-SNVBAGLBSA-N 0 3 283.332 -1.231 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccoc1CC(N)=O)C(N)=O ZINC001132949815 776754296 /nfs/dbraw/zinc/75/42/96/776754296.db2.gz HEJVSENQWWFIFF-SECBINFHSA-N 0 3 296.327 -1.109 20 0 CAADHN Cn1cc(OCC(=O)NCCN[C@H]2CCNC2=O)cn1 ZINC001132961138 776754324 /nfs/dbraw/zinc/75/43/24/776754324.db2.gz JDJDLMPDKATHOC-JTQLQIEISA-N 0 3 281.316 -1.607 20 0 CAADHN C[C@@H]1CCN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(N)=O ZINC001132945541 776754491 /nfs/dbraw/zinc/75/44/91/776754491.db2.gz MSNGHMCIHKFTBV-RKDXNWHRSA-N 0 3 280.332 -1.022 20 0 CAADHN NC(=O)CNCCNC(=O)Cc1ncccc1F ZINC001132898904 776754517 /nfs/dbraw/zinc/75/45/17/776754517.db2.gz WOBGNTQFEHLKNB-UHFFFAOYSA-N 0 3 254.265 -1.046 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccoc1CC(N)=O)C(N)=O ZINC001132949816 776754662 /nfs/dbraw/zinc/75/46/62/776754662.db2.gz HEJVSENQWWFIFF-VIFPVBQESA-N 0 3 296.327 -1.109 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)n1C ZINC001132895605 776754684 /nfs/dbraw/zinc/75/46/84/776754684.db2.gz IZWFZQIGKVKWRF-SSDOTTSWSA-N 0 3 296.331 -1.369 20 0 CAADHN Cn1cc(OCC(=O)NCCN[C@@H]2CCCNC2=O)cn1 ZINC001132961196 776754842 /nfs/dbraw/zinc/75/48/42/776754842.db2.gz LQUJOZKCUMLYRH-LLVKDONJSA-N 0 3 295.343 -1.217 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccoc1CC(N)=O ZINC001132949922 776754903 /nfs/dbraw/zinc/75/49/03/776754903.db2.gz JJLBABMYIVKQAT-UHFFFAOYSA-N 0 3 296.327 -1.237 20 0 CAADHN COc1cccnc1CC(=O)NCCNCC(N)=O ZINC001132905970 776754960 /nfs/dbraw/zinc/75/49/60/776754960.db2.gz GZOSEYVHHSZVHP-UHFFFAOYSA-N 0 3 266.301 -1.176 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccnc2c1nnn2C ZINC001132949541 776755065 /nfs/dbraw/zinc/75/50/65/776755065.db2.gz CFBSNDATUIVQRU-UHFFFAOYSA-N 0 3 291.315 -1.571 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)c2c[nH]c(=O)cn2)C1=O ZINC001133009366 776755521 /nfs/dbraw/zinc/75/55/21/776755521.db2.gz BZDRCLIHTYCRSW-VIFPVBQESA-N 0 3 293.327 -1.290 20 0 CAADHN CNC(=O)CNCCNC(=O)COc1cnn(C)c1 ZINC001132961542 776755557 /nfs/dbraw/zinc/75/55/57/776755557.db2.gz VNADJKWUEJHOBW-UHFFFAOYSA-N 0 3 269.305 -1.749 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133015672 776755637 /nfs/dbraw/zinc/75/56/37/776755637.db2.gz COFHUAKCWUKQSW-UHFFFAOYSA-N 0 3 295.343 -1.042 20 0 CAADHN Cn1cc(OCC(=O)NCCN[C@H]2CCCNC2=O)cn1 ZINC001132961197 776755757 /nfs/dbraw/zinc/75/57/57/776755757.db2.gz LQUJOZKCUMLYRH-NSHDSACASA-N 0 3 295.343 -1.217 20 0 CAADHN CCNC(=O)CNCCNC(=O)COc1cnn(C)c1 ZINC001132961767 776755840 /nfs/dbraw/zinc/75/58/40/776755840.db2.gz ZKXNBPFNHIYGAN-UHFFFAOYSA-N 0 3 283.332 -1.359 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)COc1cnn(C)c1 ZINC001132961347 776755926 /nfs/dbraw/zinc/75/59/26/776755926.db2.gz PRVOXAUNUMZAGQ-UHFFFAOYSA-N 0 3 283.332 -1.407 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCCc2nn[nH]c21 ZINC001133000973 776756079 /nfs/dbraw/zinc/75/60/79/776756079.db2.gz OXUZKDMEAVNTOF-WPRPVWTQSA-N 0 3 292.343 -1.181 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)c2c[nH]c(=O)cn2)C1=O ZINC001133009365 776756163 /nfs/dbraw/zinc/75/61/63/776756163.db2.gz BZDRCLIHTYCRSW-SECBINFHSA-N 0 3 293.327 -1.290 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133009565 776756198 /nfs/dbraw/zinc/75/61/98/776756198.db2.gz JZJLYMBJAYYPQP-UHFFFAOYSA-N 0 3 267.289 -1.823 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)c1c[nH]c(=O)cn1 ZINC001133016328 776756273 /nfs/dbraw/zinc/75/62/73/776756273.db2.gz UGWUDBROLRKSAS-QMMMGPOBSA-N 0 3 279.300 -1.632 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001133001185 776756327 /nfs/dbraw/zinc/75/63/27/776756327.db2.gz VAGQUOJLQCCGRC-SSDOTTSWSA-N 0 3 266.305 -1.584 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133016209 776756482 /nfs/dbraw/zinc/75/64/82/776756482.db2.gz QXZSMMUVCVZZIR-UHFFFAOYSA-N 0 3 267.289 -1.775 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCc2nn[nH]c21)C(N)=O ZINC001132998481 776756510 /nfs/dbraw/zinc/75/65/10/776756510.db2.gz UOVDBNMJQFZDPV-YUMQZZPRSA-N 0 3 280.332 -1.196 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)C2(C[NH+](C)C)CC2)nc1=O ZINC001132993422 776756694 /nfs/dbraw/zinc/75/66/94/776756694.db2.gz SZOLBPCLQQZAQU-UHFFFAOYSA-N 0 3 296.375 -1.344 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1c[nH]c(=O)cn1 ZINC001133009788 776757475 /nfs/dbraw/zinc/75/74/75/776757475.db2.gz TWOHQAKDZWJXJY-ZETCQYMHSA-N 0 3 293.283 -2.106 20 0 CAADHN CC[C@H](NCCNC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001133013774 776757704 /nfs/dbraw/zinc/75/77/04/776757704.db2.gz UMMPXQZRQLHMOQ-ZETCQYMHSA-N 0 3 267.289 -1.647 20 0 CAADHN C[C@H](NCCNC(=O)c1c[nH]c(=O)cn1)C(=O)NC(N)=O ZINC001133013556 776757859 /nfs/dbraw/zinc/75/78/59/776757859.db2.gz OACXOMYXJSPHPG-LURJTMIESA-N 0 3 296.287 -2.327 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133009789 776757921 /nfs/dbraw/zinc/75/79/21/776757921.db2.gz TWYJUHWAUPGXKI-UHFFFAOYSA-N 0 3 295.343 -1.139 20 0 CAADHN CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111522 776758769 /nfs/dbraw/zinc/75/87/69/776758769.db2.gz FRXFLQMKSDQJLR-UWVGGRQHSA-N 0 3 299.375 -1.466 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111772 776758843 /nfs/dbraw/zinc/75/88/43/776758843.db2.gz NTJKFKCPGHSQDO-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111599 776758889 /nfs/dbraw/zinc/75/88/89/776758889.db2.gz IFGREYNJGGSIAC-SSDOTTSWSA-N 0 3 257.294 -2.490 20 0 CAADHN Cc1nn(C)cc1CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111590 776758994 /nfs/dbraw/zinc/75/89/94/776758994.db2.gz HRCZPYKNEZJJRS-JTQLQIEISA-N 0 3 280.332 -1.384 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111615 776759065 /nfs/dbraw/zinc/75/90/65/776759065.db2.gz IWZBIRDSOBKHMM-MRVPVSSYSA-N 0 3 271.321 -2.100 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CNC(=O)N1)NC1CC1 ZINC001133111738 776759170 /nfs/dbraw/zinc/75/91/70/776759170.db2.gz MWIOFQPAKAYYIJ-QMMMGPOBSA-N 0 3 269.305 -2.348 20 0 CAADHN CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111523 776759211 /nfs/dbraw/zinc/75/92/11/776759211.db2.gz FRXFLQMKSDQJLR-VHSXEESVSA-N 0 3 299.375 -1.466 20 0 CAADHN CCC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111748 776759248 /nfs/dbraw/zinc/75/92/48/776759248.db2.gz NJCJYZZNTOZQBK-VIFPVBQESA-N 0 3 299.375 -1.322 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1CNC(=O)N1 ZINC001133111972 776760191 /nfs/dbraw/zinc/76/01/91/776760191.db2.gz VOVRPSMTRPXKIE-NKWVEPMBSA-N 0 3 255.278 -2.738 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CNC(=O)N1)C(=O)N(C)C ZINC001133114977 776760354 /nfs/dbraw/zinc/76/03/54/776760354.db2.gz CHPDJNNBJFYAEN-JGVFFNPUSA-N 0 3 271.321 -2.150 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CNC(=O)N1 ZINC001133111974 776760462 /nfs/dbraw/zinc/76/04/62/776760462.db2.gz VOVRPSMTRPXKIE-RNFRBKRXSA-N 0 3 255.278 -2.738 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CNC(=O)N1)NC1CCCC1 ZINC001133112302 776760539 /nfs/dbraw/zinc/76/05/39/776760539.db2.gz ZLKKBPIRERTHDP-SNVBAGLBSA-N 0 3 297.359 -1.568 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111950 776760587 /nfs/dbraw/zinc/76/05/87/776760587.db2.gz UPVIOXRZNIEFKT-VIFPVBQESA-N 0 3 285.348 -1.710 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CNC(=O)N1 ZINC001133114932 776760594 /nfs/dbraw/zinc/76/05/94/776760594.db2.gz BFZFJDKSILUDQS-SFYZADRCSA-N 0 3 269.305 -2.348 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CNC(=O)N1)C(=O)N(C)C ZINC001133114979 776760700 /nfs/dbraw/zinc/76/07/00/776760700.db2.gz CHPDJNNBJFYAEN-YUMQZZPRSA-N 0 3 271.321 -2.150 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133115022 776760724 /nfs/dbraw/zinc/76/07/24/776760724.db2.gz CWXWEHDFKBTQOP-RNFRBKRXSA-N 0 3 257.294 -2.492 20 0 CAADHN CC(C)(C)CNC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133115526 776761528 /nfs/dbraw/zinc/76/15/28/776761528.db2.gz PADUUDDVJYMWKV-SECBINFHSA-N 0 3 299.375 -1.464 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001133115578 776761823 /nfs/dbraw/zinc/76/18/23/776761823.db2.gz PSGWEXXPHHSAAA-BQBZGAKWSA-N 0 3 257.294 -2.363 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1CNC(=O)N1 ZINC001133115374 776761856 /nfs/dbraw/zinc/76/18/56/776761856.db2.gz LVWBLGIXLUKLJE-BQBZGAKWSA-N 0 3 283.288 -2.821 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001133115260 776761903 /nfs/dbraw/zinc/76/19/03/776761903.db2.gz JCPAOGXPTTXXGN-BDAKNGLRSA-N 0 3 283.332 -2.006 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001133115581 776761944 /nfs/dbraw/zinc/76/19/44/776761944.db2.gz PSGWEXXPHHSAAA-RQJHMYQMSA-N 0 3 257.294 -2.363 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133115261 776761998 /nfs/dbraw/zinc/76/19/98/776761998.db2.gz JCPAOGXPTTXXGN-DTWKUNHWSA-N 0 3 283.332 -2.006 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NC(N)=O ZINC001133120970 776762970 /nfs/dbraw/zinc/76/29/70/776762970.db2.gz DSKDWNBWDAXHSJ-RITPCOANSA-N 0 3 286.292 -3.043 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NC(C)(C)C ZINC001133121529 776763235 /nfs/dbraw/zinc/76/32/35/776763235.db2.gz JUWBKOGZLGFEJN-BDAKNGLRSA-N 0 3 299.375 -1.323 20 0 CAADHN CCCC[C@@H](NCCNC(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001133118248 776763300 /nfs/dbraw/zinc/76/33/00/776763300.db2.gz HMIHSMRXYZCLLV-BDAKNGLRSA-N 0 3 285.348 -1.582 20 0 CAADHN CCN(C(=O)CNCCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001133122079 776763895 /nfs/dbraw/zinc/76/38/95/776763895.db2.gz PZJWRDSCZSZEEF-SNVBAGLBSA-N 0 3 297.359 -1.616 20 0 CAADHN CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122612 776764088 /nfs/dbraw/zinc/76/40/88/776764088.db2.gz WMLSHJVWMZNUAR-ZJUUUORDSA-N 0 3 299.375 -1.371 20 0 CAADHN CCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122590 776764327 /nfs/dbraw/zinc/76/43/27/776764327.db2.gz WHUYBKIZMDQMJV-VHSXEESVSA-N 0 3 299.375 -1.322 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CNC(=O)N1)N1CCCC1 ZINC001133122112 776764421 /nfs/dbraw/zinc/76/44/21/776764421.db2.gz RDPJDJYEKDDBNT-VIFPVBQESA-N 0 3 283.332 -2.004 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122416 776764443 /nfs/dbraw/zinc/76/44/43/776764443.db2.gz UVYZPABWQWLJSF-ZJUUUORDSA-N 0 3 299.375 -1.466 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121933 776764462 /nfs/dbraw/zinc/76/44/62/776764462.db2.gz PABUSFXCVXLDHL-RKDXNWHRSA-N 0 3 285.348 -1.712 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133122339 776764523 /nfs/dbraw/zinc/76/45/23/776764523.db2.gz SSEBZCDALLUPGK-NXEZZACHSA-N 0 3 297.359 -1.617 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122415 776764627 /nfs/dbraw/zinc/76/46/27/776764627.db2.gz UVYZPABWQWLJSF-VHSXEESVSA-N 0 3 299.375 -1.466 20 0 CAADHN CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122609 776764651 /nfs/dbraw/zinc/76/46/51/776764651.db2.gz WMLSHJVWMZNUAR-NXEZZACHSA-N 0 3 299.375 -1.371 20 0 CAADHN CCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122588 776764696 /nfs/dbraw/zinc/76/46/96/776764696.db2.gz WHUYBKIZMDQMJV-NXEZZACHSA-N 0 3 299.375 -1.322 20 0 CAADHN CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122771 776764781 /nfs/dbraw/zinc/76/47/81/776764781.db2.gz YDLYBARNASVTBN-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCN(CC)C(=O)[C@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122772 776764846 /nfs/dbraw/zinc/76/48/46/776764846.db2.gz YDLYBARNASVTBN-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133128373 776764855 /nfs/dbraw/zinc/76/48/55/776764855.db2.gz CMUBREIYXRNJAO-VIFPVBQESA-N 0 3 266.305 -1.693 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133187885 776766002 /nfs/dbraw/zinc/76/60/02/776766002.db2.gz KOXPAHCPFJQJID-UHFFFAOYSA-N 0 3 284.360 -1.174 20 0 CAADHN NC(=O)CNCCNC(=O)CCCS(N)(=O)=O ZINC001133151479 776766286 /nfs/dbraw/zinc/76/62/86/776766286.db2.gz AFCFTIUHZHPSDX-UHFFFAOYSA-N 0 3 266.323 -2.754 20 0 CAADHN NC(=O)C1(C(=O)NCCN[C@@H]2CCCNC2=O)CC1 ZINC001133188061 776766174 /nfs/dbraw/zinc/76/61/74/776766174.db2.gz NZVCYXRWGLUECH-MRVPVSSYSA-N 0 3 268.317 -1.764 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCCS(N)(=O)=O ZINC001133152306 776766434 /nfs/dbraw/zinc/76/64/34/776766434.db2.gz WFSCMQFERYNSBQ-UHFFFAOYSA-N 0 3 294.377 -2.103 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133184845 776767104 /nfs/dbraw/zinc/76/71/04/776767104.db2.gz JDTZEIQHANDBNF-UHFFFAOYSA-N 0 3 284.360 -1.128 20 0 CAADHN NC(=O)C1(C(=O)NCCNCC(=O)N2CCCCC2)CC1 ZINC001133184907 776767267 /nfs/dbraw/zinc/76/72/67/776767267.db2.gz LRBFJCCXVPUZRF-UHFFFAOYSA-N 0 3 296.371 -1.030 20 0 CAADHN Cc1cccc(OC[C@@H](O)CNCCNC(=O)C(N)=O)c1 ZINC001133200402 776767384 /nfs/dbraw/zinc/76/73/84/776767384.db2.gz KRYBYJDLAFZMHB-NSHDSACASA-N 0 3 295.339 -1.074 20 0 CAADHN C[C@@H](NCCNC(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001133189024 776768531 /nfs/dbraw/zinc/76/85/31/776768531.db2.gz JSIYFOBQJSZTDN-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN CCNC(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133188255 776768550 /nfs/dbraw/zinc/76/85/50/776768550.db2.gz SFCCVNPYCOQIEO-UHFFFAOYSA-N 0 3 256.306 -1.906 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001133188984 776768724 /nfs/dbraw/zinc/76/87/24/776768724.db2.gz HGGZEFJICTWKHM-VIFPVBQESA-N 0 3 282.344 -1.422 20 0 CAADHN CC[C@@H](NCCNC(=O)C1(C(N)=O)CC1)C(N)=O ZINC001133189348 776768994 /nfs/dbraw/zinc/76/89/94/776768994.db2.gz RUVUNODDABZPJM-SSDOTTSWSA-N 0 3 256.306 -1.778 20 0 CAADHN COc1cccc([C@@H](O)CNCCNC(=O)C(N)=O)c1 ZINC001133198372 776771422 /nfs/dbraw/zinc/77/14/22/776771422.db2.gz VUPHBKSOUUUOFX-NSHDSACASA-N 0 3 281.312 -1.080 20 0 CAADHN CC(C)S(=O)(=O)CCCNCCNC(=O)C(N)=O ZINC001133198269 776771498 /nfs/dbraw/zinc/77/14/98/776771498.db2.gz PPOZXZFUQMSUKV-UHFFFAOYSA-N 0 3 279.362 -1.609 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133335295 776775168 /nfs/dbraw/zinc/77/51/68/776775168.db2.gz OPJCFZSVHJAKHY-UHFFFAOYSA-N 0 3 283.332 -1.029 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)[nH]c1=O ZINC001133335387 776775662 /nfs/dbraw/zinc/77/56/62/776775662.db2.gz SBEYTIBLRGVGTB-ZETCQYMHSA-N 0 3 295.299 -1.750 20 0 CAADHN CO[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)C(C)C ZINC001133338277 776775682 /nfs/dbraw/zinc/77/56/82/776775682.db2.gz IGOGOQHVLNBADP-IUCAKERBSA-N 0 3 288.348 -1.053 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133334788 776776044 /nfs/dbraw/zinc/77/60/44/776776044.db2.gz ARMMAALVKAWCFY-UHFFFAOYSA-N 0 3 298.303 -2.099 20 0 CAADHN Cn1cc(CNCCNC(=O)C2=NC(=O)N(C)C2)nn1 ZINC001133335420 776776274 /nfs/dbraw/zinc/77/62/74/776776274.db2.gz UAZRKABZCOXQCG-UHFFFAOYSA-N 0 3 279.304 -1.226 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)CC[NH+](C)C)nc1=O ZINC001133294319 776776565 /nfs/dbraw/zinc/77/65/65/776776565.db2.gz CECOGAWWHYYHSH-UHFFFAOYSA-N 0 3 270.337 -1.734 20 0 CAADHN CC[C@H](NCCNC(=O)[C@]1(C)CCC(=O)N1)C(N)=O ZINC001133473018 776777366 /nfs/dbraw/zinc/77/73/66/776777366.db2.gz CUPZMYRCQKKMAZ-UFBFGSQYSA-N 0 3 270.333 -1.375 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133467838 776777376 /nfs/dbraw/zinc/77/73/76/776777376.db2.gz PRWNJWVEQWDRER-ZDUSSCGKSA-N 0 3 284.360 -1.115 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@]2(C)CCC(=O)N2)C1=O ZINC001133473303 776777384 /nfs/dbraw/zinc/77/73/84/776777384.db2.gz HDJIYRUUPYLENR-HZMBPMFUSA-N 0 3 296.371 -1.018 20 0 CAADHN CCc1nocc1C(=O)NCCNCC(=O)NC(N)=O ZINC001133480946 776777445 /nfs/dbraw/zinc/77/74/45/776777445.db2.gz IEKMWCCVEDSUAG-UHFFFAOYSA-N 0 3 283.288 -1.249 20 0 CAADHN CO[C@H](CC(C)C)C(=O)NCCNCC(=O)NC(N)=O ZINC001133454015 776777484 /nfs/dbraw/zinc/77/74/84/776777484.db2.gz FDOQJNKRSLDRML-SECBINFHSA-N 0 3 288.348 -1.052 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CC1=CCOCC1 ZINC001133397989 776777514 /nfs/dbraw/zinc/77/75/14/776777514.db2.gz YDLNECVPSJWBRK-UHFFFAOYSA-N 0 3 284.316 -1.376 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)N2CCC2)CCC(=O)N1 ZINC001133468184 776777673 /nfs/dbraw/zinc/77/76/73/776777673.db2.gz VUJFFFWNRYMVOJ-ZDUSSCGKSA-N 0 3 282.344 -1.407 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NC2CC2)CCC(=O)N1 ZINC001133467837 776777698 /nfs/dbraw/zinc/77/76/98/776777698.db2.gz PRIWIEHTPXJVDP-ZDUSSCGKSA-N 0 3 282.344 -1.361 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1n[nH]cc1F ZINC001133481091 776777950 /nfs/dbraw/zinc/77/79/50/776777950.db2.gz OLSSLHPKUIWLCO-SSDOTTSWSA-N 0 3 255.253 -1.243 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCNC2=O)CCC(=O)N1 ZINC001133473008 776778039 /nfs/dbraw/zinc/77/80/39/776778039.db2.gz CPSCSPIXSVUUFC-PELKAZGASA-N 0 3 268.317 -1.751 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133467270 776778115 /nfs/dbraw/zinc/77/81/15/776778115.db2.gz BXKMJVOPPSBIBU-ZDUSSCGKSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H](OC)C(C)C ZINC001133343171 776778387 /nfs/dbraw/zinc/77/83/87/776778387.db2.gz PALRPCPDANOVDK-JTQLQIEISA-N 0 3 288.348 -1.181 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CCC(=O)N1 ZINC001133473478 776779070 /nfs/dbraw/zinc/77/90/70/776779070.db2.gz JWBHXDNNMVXZKX-OQPBUACISA-N 0 3 296.327 -1.834 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133473832 776779544 /nfs/dbraw/zinc/77/95/44/776779544.db2.gz QXHTTZDHEHPQCW-UFBFGSQYSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@@H](NCCNC(=O)c1n[nH]cc1F)C(=O)NC(N)=O ZINC001133485222 776779644 /nfs/dbraw/zinc/77/96/44/776779644.db2.gz YWSPAJLCSPNISY-RXMQYKEDSA-N 0 3 286.267 -1.548 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CCC(=O)N1)C(N)=O ZINC001133473955 776779650 /nfs/dbraw/zinc/77/96/50/776779650.db2.gz SSFVGJXVVBXBBT-HQJQHLMTSA-N 0 3 256.306 -1.765 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001133510293 776779667 /nfs/dbraw/zinc/77/96/67/776779667.db2.gz XBMYJUZDJQTJRL-VHSXEESVSA-N 0 3 275.349 -1.170 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001133509783 776779704 /nfs/dbraw/zinc/77/97/04/776779704.db2.gz QIRLEFGCHSZVGZ-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)[C@@H]1CCCO1 ZINC001133524155 776779725 /nfs/dbraw/zinc/77/97/25/776779725.db2.gz IENMDZRXFJUFRN-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001133513349 776779765 /nfs/dbraw/zinc/77/97/65/776779765.db2.gz OIJQMNQHFHHBOW-HTQZYQBOSA-N 0 3 290.320 -2.063 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CCC(=O)N1)C(=O)NC(N)=O ZINC001133479349 776779774 /nfs/dbraw/zinc/77/97/74/776779774.db2.gz UBRYMBPRCZRLCP-KRTXAFLBSA-N 0 3 299.331 -2.056 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001133509784 776779808 /nfs/dbraw/zinc/77/98/08/776779808.db2.gz QIRLEFGCHSZVGZ-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@H]1COCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133496461 776779894 /nfs/dbraw/zinc/77/98/94/776779894.db2.gz KMLSRIFZFOKUEQ-IUCAKERBSA-N 0 3 286.332 -1.440 20 0 CAADHN C[C@@H]1COCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133496462 776780042 /nfs/dbraw/zinc/78/00/42/776780042.db2.gz KMLSRIFZFOKUEQ-RKDXNWHRSA-N 0 3 286.332 -1.440 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC(N)=O)[C@H]1CCCO1 ZINC001133524156 776780097 /nfs/dbraw/zinc/78/00/97/776780097.db2.gz IENMDZRXFJUFRN-DTWKUNHWSA-N 0 3 286.332 -1.298 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001133513351 776781148 /nfs/dbraw/zinc/78/11/48/776781148.db2.gz OIJQMNQHFHHBOW-SFYZADRCSA-N 0 3 290.320 -2.063 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H](COC)OC)C1=O ZINC001133518800 776781235 /nfs/dbraw/zinc/78/12/35/776781235.db2.gz LTRFERAZDKKYTA-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H](COC)OC)C1=O ZINC001133518799 776781265 /nfs/dbraw/zinc/78/12/65/776781265.db2.gz LTRFERAZDKKYTA-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](COC)OC ZINC001133519798 776781291 /nfs/dbraw/zinc/78/12/91/776781291.db2.gz ZKSXQHKTOYLFBN-IUCAKERBSA-N 0 3 261.322 -1.512 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H](COC)OC)C1=O ZINC001133518798 776781432 /nfs/dbraw/zinc/78/14/32/776781432.db2.gz LTRFERAZDKKYTA-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@H]1CCNC1=O ZINC001133516673 776781448 /nfs/dbraw/zinc/78/14/48/776781448.db2.gz CMJSBAMPMDUZPN-DTWKUNHWSA-N 0 3 259.306 -1.758 20 0 CAADHN NC(=O)CCc1ccc(C(=O)NCCNCC(N)=O)cc1 ZINC001133616918 776782665 /nfs/dbraw/zinc/78/26/65/776782665.db2.gz TUJGEKRWCPDANS-UHFFFAOYSA-N 0 3 292.339 -1.091 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C1(CF)CC1 ZINC001133631877 776783178 /nfs/dbraw/zinc/78/31/78/776783178.db2.gz JGZAHCGYWVNYPT-UHFFFAOYSA-N 0 3 274.296 -1.103 20 0 CAADHN Cn1c(=O)cccc1C(=O)NCCNCC(=O)N1CCC1 ZINC001133621754 776783352 /nfs/dbraw/zinc/78/33/52/776783352.db2.gz QNUSDBKHPGLZGG-UHFFFAOYSA-N 0 3 292.339 -1.063 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133681429 776783456 /nfs/dbraw/zinc/78/34/56/776783456.db2.gz PMNQMRMRKORKLS-JTQLQIEISA-N 0 3 284.360 -1.113 20 0 CAADHN Cc1cc(CCC(=O)NCCNCC(=O)NC(N)=O)no1 ZINC001133670190 776783597 /nfs/dbraw/zinc/78/35/97/776783597.db2.gz JCYFVYUWBAPBNO-UHFFFAOYSA-N 0 3 297.315 -1.184 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133677053 776783989 /nfs/dbraw/zinc/78/39/89/776783989.db2.gz DOHHEFUKYAHMDP-VIFPVBQESA-N 0 3 270.333 -1.503 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCCCC(=O)N1)N1CCC1 ZINC001133680801 776784083 /nfs/dbraw/zinc/78/40/83/776784083.db2.gz DBFUEAAZYCEWIV-LLVKDONJSA-N 0 3 296.371 -1.017 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cccc(=O)n2C)C1=O ZINC001133643819 776784106 /nfs/dbraw/zinc/78/41/06/776784106.db2.gz WLCKWJPNPXBVGF-JTQLQIEISA-N 0 3 292.339 -1.065 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133681430 776784139 /nfs/dbraw/zinc/78/41/39/776784139.db2.gz PMNQMRMRKORKLS-SNVBAGLBSA-N 0 3 284.360 -1.113 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)N2CCC2)CCNC1=O ZINC001133753040 776784502 /nfs/dbraw/zinc/78/45/02/776784502.db2.gz HUJIYCSBYOLSAO-ZDUSSCGKSA-N 0 3 282.344 -1.549 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133681593 776784533 /nfs/dbraw/zinc/78/45/33/776784533.db2.gz STSCWUPJZVOSMA-MRVPVSSYSA-N 0 3 299.331 -2.054 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCCCC(=O)N1 ZINC001133681559 776784888 /nfs/dbraw/zinc/78/48/88/776784888.db2.gz SEHOEDADAPEZGQ-VHSXEESVSA-N 0 3 282.344 -1.361 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCCCC(=O)N1 ZINC001133681557 776784968 /nfs/dbraw/zinc/78/49/68/776784968.db2.gz SEHOEDADAPEZGQ-NXEZZACHSA-N 0 3 282.344 -1.361 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@]1(C)CCNC1=O ZINC001133752285 776785032 /nfs/dbraw/zinc/78/50/32/776785032.db2.gz BWTCPHLALZPRFZ-ZDUSSCGKSA-N 0 3 284.360 -1.303 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCCCC(=O)N2)C1=O ZINC001133694418 776785124 /nfs/dbraw/zinc/78/51/24/776785124.db2.gz MXCBLRYEQDJBQB-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CCc1c(C(=O)NCCNCC(=O)NC)nnn1CC ZINC001133743203 776785320 /nfs/dbraw/zinc/78/53/20/776785320.db2.gz RAFPTZHZEZUEFP-UHFFFAOYSA-N 0 3 282.348 -1.074 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cc(C(N)=O)co1 ZINC001133704484 776785373 /nfs/dbraw/zinc/78/53/73/776785373.db2.gz KCMVWUWSDWGGLA-UHFFFAOYSA-N 0 3 297.271 -2.107 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133681594 776785392 /nfs/dbraw/zinc/78/53/92/776785392.db2.gz STSCWUPJZVOSMA-QMMMGPOBSA-N 0 3 299.331 -2.054 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cc(C(N)=O)co1 ZINC001133704420 776785482 /nfs/dbraw/zinc/78/54/82/776785482.db2.gz HPEAJXIDRZHKQS-SSDOTTSWSA-N 0 3 282.300 -1.168 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@]1(C)CCNC1=O ZINC001133753971 776785573 /nfs/dbraw/zinc/78/55/73/776785573.db2.gz PFFCSGSYDYIIQR-LBPRGKRZSA-N 0 3 270.333 -1.693 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CCCCC(=O)N1 ZINC001133681558 776785616 /nfs/dbraw/zinc/78/56/16/776785616.db2.gz SEHOEDADAPEZGQ-UWVGGRQHSA-N 0 3 282.344 -1.361 20 0 CAADHN NC(=O)c1coc(C(=O)NCCNCC(=O)NC2CC2)c1 ZINC001133709547 776785644 /nfs/dbraw/zinc/78/56/44/776785644.db2.gz UABMQYBHHYPLCJ-UHFFFAOYSA-N 0 3 294.311 -1.024 20 0 CAADHN NC(=O)c1coc(C(=O)NCCN[C@@H]2CCNC2=O)c1 ZINC001133709798 776785652 /nfs/dbraw/zinc/78/56/52/776785652.db2.gz ZWCFTMXCDFASQE-MRVPVSSYSA-N 0 3 280.284 -1.414 20 0 CAADHN C[C@]1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CCNC1=O ZINC001133763452 776786069 /nfs/dbraw/zinc/78/60/69/776786069.db2.gz UFAFMWSCXMJORE-SDBXPKJASA-N 0 3 296.327 -1.976 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCNCC(=O)N2CCC2)O1 ZINC001133771296 776786088 /nfs/dbraw/zinc/78/60/88/776786088.db2.gz ZSPYGGIDENXORJ-VHSXEESVSA-N 0 3 298.343 -2.043 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133771243 776786322 /nfs/dbraw/zinc/78/63/22/776786322.db2.gz WWUIFNVFNIBHNZ-WDEREUQCSA-N 0 3 295.343 -1.341 20 0 CAADHN C[C@]1(C(=O)NCCN[C@H]2CCCNC2=O)CCNC1=O ZINC001133763076 776786538 /nfs/dbraw/zinc/78/65/38/776786538.db2.gz KDLSJKYSHVMMRO-ZANVPECISA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NC(N)=O)CCNC1=O ZINC001133754778 776786562 /nfs/dbraw/zinc/78/65/62/776786562.db2.gz XGOZCKDVFJUYIQ-LLVKDONJSA-N 0 3 285.304 -2.587 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773544 776786576 /nfs/dbraw/zinc/78/65/76/776786576.db2.gz JSZXRRYYGPRXLR-XHNCKOQMSA-N 0 3 286.332 -2.140 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@]2(C)CCNC2=O)C1=O ZINC001133762919 776787051 /nfs/dbraw/zinc/78/70/51/776787051.db2.gz ISUJKSDAILAYMX-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@]2(C)CCNC2=O)C1=O ZINC001133766594 776787529 /nfs/dbraw/zinc/78/75/29/776787529.db2.gz IRVMEZVQAZPGLG-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CCNC1=O)C(=O)N(C)C ZINC001133766989 776787537 /nfs/dbraw/zinc/78/75/37/776787537.db2.gz SAICYHOCECZFSU-NOZJJQNGSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(N)=O ZINC001133781880 776788089 /nfs/dbraw/zinc/78/80/89/776788089.db2.gz VELZYJCGOIHXKO-HRDYMLBCSA-N 0 3 286.332 -2.011 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1C[C@H]1C(N)=O)C(N)=O ZINC001133912159 776794630 /nfs/dbraw/zinc/79/46/30/776794630.db2.gz ULCSIPZOHWIQNL-GJMOJQLCSA-N 0 3 256.306 -1.923 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@]1(C)CCNC1=O)C(N)=O ZINC001133766372 776788128 /nfs/dbraw/zinc/78/81/28/776788128.db2.gz CDOUHMWMUMFAPB-UFBFGSQYSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@]1(C)CCNC1=O)C(N)=O ZINC001133766370 776788158 /nfs/dbraw/zinc/78/81/58/776788158.db2.gz CDOUHMWMUMFAPB-PRHODGIISA-N 0 3 270.333 -1.518 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN[C@H]2CCNC2=O)O1 ZINC001133773853 776788284 /nfs/dbraw/zinc/78/82/84/776788284.db2.gz ODCOCMZOVZJVOX-XHNCKOQMSA-N 0 3 284.316 -2.386 20 0 CAADHN C[C@H](NCCNC(=O)[C@@]1(C)CCNC1=O)C(=O)N(C)C ZINC001133766992 776788341 /nfs/dbraw/zinc/78/83/41/776788341.db2.gz SAICYHOCECZFSU-ZANVPECISA-N 0 3 284.360 -1.305 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@]2(C)CCNC2=O)C1=O ZINC001133766592 776788398 /nfs/dbraw/zinc/78/83/98/776788398.db2.gz IRVMEZVQAZPGLG-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@]2(C)CCNC2=O)C1=O ZINC001133766564 776788447 /nfs/dbraw/zinc/78/84/47/776788447.db2.gz HZSNCEUPMCVNEB-ZANVPECISA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNCc2nnnn2C)C1 ZINC001133853295 776789220 /nfs/dbraw/zinc/78/92/20/776789220.db2.gz IFZZVSNFQXXGRH-SNVBAGLBSA-N 0 3 281.364 -1.242 20 0 CAADHN CC(C)(C)n1cnc(C(=O)NCCNCC(N)=O)n1 ZINC001133819609 776789881 /nfs/dbraw/zinc/78/98/81/776789881.db2.gz IXLHIVLKQNIVMZ-UHFFFAOYSA-N 0 3 268.321 -1.162 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNCc2nnn(C)n2)C1 ZINC001133842608 776790048 /nfs/dbraw/zinc/79/00/48/776790048.db2.gz XMHSBVCPUINSGU-JTQLQIEISA-N 0 3 281.364 -1.242 20 0 CAADHN C[C@H]1CCCN1CC(=O)NCCNCc1nnnn1C ZINC001133832015 776790563 /nfs/dbraw/zinc/79/05/63/776790563.db2.gz ZVFQUEJEHNFSNJ-JTQLQIEISA-N 0 3 281.364 -1.100 20 0 CAADHN C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1nc(=O)n(C)[n-]1 ZINC001133866521 776792114 /nfs/dbraw/zinc/79/21/14/776792114.db2.gz MJHORKQAHLGGEK-ZJUUUORDSA-N 0 3 296.375 -1.488 20 0 CAADHN C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1nc(=O)n(C)[n-]1 ZINC001133866521 776792118 /nfs/dbraw/zinc/79/21/18/776792118.db2.gz MJHORKQAHLGGEK-ZJUUUORDSA-N 0 3 296.375 -1.488 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCNCC(=O)N(C)C ZINC001134169076 776808937 /nfs/dbraw/zinc/80/89/37/776808937.db2.gz ZKZYZRDZRGAUQU-JTQLQIEISA-N 0 3 272.349 -1.305 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133907917 776792519 /nfs/dbraw/zinc/79/25/19/776792519.db2.gz CTCHREHQUQEFBO-SFYZADRCSA-N 0 3 256.306 -2.098 20 0 CAADHN Cn1c(C(=O)NCCNCC(N)=O)c2n(c1=O)CCCC2 ZINC001133890427 776792881 /nfs/dbraw/zinc/79/28/81/776792881.db2.gz QNZJCOHPBDAZFU-UHFFFAOYSA-N 0 3 295.343 -1.672 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001133908557 776793086 /nfs/dbraw/zinc/79/30/86/776793086.db2.gz WTXBBAOBOFSRSI-GJMOJQLCSA-N 0 3 282.300 -2.381 20 0 CAADHN C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCc1nc(=O)n(C)[n-]1 ZINC001133866520 776793111 /nfs/dbraw/zinc/79/31/11/776793111.db2.gz MJHORKQAHLGGEK-VHSXEESVSA-N 0 3 296.375 -1.488 20 0 CAADHN C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCc1nc(=O)n(C)[n-]1 ZINC001133866520 776793114 /nfs/dbraw/zinc/79/31/14/776793114.db2.gz MJHORKQAHLGGEK-VHSXEESVSA-N 0 3 296.375 -1.488 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001133905467 776793184 /nfs/dbraw/zinc/79/31/84/776793184.db2.gz AYCMMZUPOQDIKA-WDEREUQCSA-N 0 3 296.371 -1.351 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911388 776793636 /nfs/dbraw/zinc/79/36/36/776793636.db2.gz HPTRYPVIANHJHA-SFYZADRCSA-N 0 3 292.361 -2.637 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1cnn(C)n1 ZINC001133914759 776793686 /nfs/dbraw/zinc/79/36/86/776793686.db2.gz RTPRSLBMDQWAJA-UHFFFAOYSA-N 0 3 268.321 -1.801 20 0 CAADHN CCCC[C@H](NCCNC(=O)[C@H]1C[C@H]1C(N)=O)C(N)=O ZINC001133912286 776793716 /nfs/dbraw/zinc/79/37/16/776793716.db2.gz ZFQOWEJGSLWQAP-UTLUCORTSA-N 0 3 284.360 -1.142 20 0 CAADHN Cn1ncc(CCC(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001133914296 776793740 /nfs/dbraw/zinc/79/37/40/776793740.db2.gz GCFWLYGGODIZLU-UHFFFAOYSA-N 0 3 297.319 -2.352 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001133911358 776793773 /nfs/dbraw/zinc/79/37/73/776793773.db2.gz FZESUOYHDMRNLS-VWYCJHECSA-N 0 3 296.371 -1.177 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914971 776794348 /nfs/dbraw/zinc/79/43/48/776794348.db2.gz WDFSLABAUSXMJS-AXFHLTTASA-N 0 3 298.387 -1.026 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001133914513 776794364 /nfs/dbraw/zinc/79/43/64/776794364.db2.gz LKLNIIPSEVSHQK-ZJUUUORDSA-N 0 3 282.344 -1.564 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133922113 776794549 /nfs/dbraw/zinc/79/45/49/776794549.db2.gz QCNDGNONDNCCIM-WDEREUQCSA-N 0 3 298.387 -1.057 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001133911404 776794606 /nfs/dbraw/zinc/79/46/06/776794606.db2.gz IKOZUCZZQMYWGL-UTLUCORTSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)NC(N)=O ZINC001133914477 776794693 /nfs/dbraw/zinc/79/46/93/776794693.db2.gz JTRHWRBHSVTSNZ-QYNIQEEDSA-N 0 3 285.304 -2.603 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)NC1CC1 ZINC001133914140 776794698 /nfs/dbraw/zinc/79/46/98/776794698.db2.gz BMBHLGKOKUBXCB-SFGNSQDASA-N 0 3 282.344 -1.519 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C(N)=O ZINC001133922460 776794734 /nfs/dbraw/zinc/79/47/34/776794734.db2.gz UWAJHRXFQIXBGC-XHNCKOQMSA-N 0 3 270.333 -1.710 20 0 CAADHN C[C@H](NCCNC(=O)CCc1cnn(C)n1)C(N)=O ZINC001133917862 776794737 /nfs/dbraw/zinc/79/47/37/776794737.db2.gz IVQSAXQWMXDPSE-QMMMGPOBSA-N 0 3 268.321 -1.673 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914323 776794745 /nfs/dbraw/zinc/79/47/45/776794745.db2.gz HKTWPOGCWCFBEE-AEJSXWLSSA-N 0 3 284.360 -1.272 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133925718 776795302 /nfs/dbraw/zinc/79/53/02/776795302.db2.gz RNFBDPNLPGPKNM-LPEHRKFASA-N 0 3 284.360 -1.449 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(N)=O ZINC001133939741 776795571 /nfs/dbraw/zinc/79/55/71/776795571.db2.gz MSZGVWLELKJDMQ-KXUCPTDWSA-N 0 3 284.360 -1.142 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C(=O)N(C)C ZINC001133925658 776795826 /nfs/dbraw/zinc/79/58/26/776795826.db2.gz OZXRLMOBVKOCBT-OUAUKWLOSA-N 0 3 298.387 -1.107 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133950776 776795854 /nfs/dbraw/zinc/79/58/54/776795854.db2.gz IQFPKZTUEKRBPP-UHFFFAOYSA-N 0 3 281.316 -1.431 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@H]2CCCNC2=O)[nH]1 ZINC001133955916 776795865 /nfs/dbraw/zinc/79/58/65/776795865.db2.gz FOHAUWFAYPXJNY-VIFPVBQESA-N 0 3 293.327 -1.288 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(C(N)=O)[nH]1)C(=O)N(C)C ZINC001133956260 776796141 /nfs/dbraw/zinc/79/61/41/776796141.db2.gz NONRLNFHKUYWFG-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133931352 776796405 /nfs/dbraw/zinc/79/64/05/776796405.db2.gz CPLLNYUETBJANK-ZJUUUORDSA-N 0 3 284.360 -1.318 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133925717 776796479 /nfs/dbraw/zinc/79/64/79/776796479.db2.gz RNFBDPNLPGPKNM-KXUCPTDWSA-N 0 3 284.360 -1.449 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134353377 776811647 /nfs/dbraw/zinc/81/16/47/776811647.db2.gz UMSDNYWSEOIGCQ-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133932393 776796516 /nfs/dbraw/zinc/79/65/16/776796516.db2.gz VTHKHZIGAPAEQS-SFYZADRCSA-N 0 3 299.331 -2.211 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1nnc2c1CCCC2 ZINC001133960837 776797218 /nfs/dbraw/zinc/79/72/18/776797218.db2.gz QXNBJLYTWAWOLC-UHFFFAOYSA-N 0 3 294.359 -1.391 20 0 CAADHN CC[C@@H](NCCNC(=O)CCc1cnn(C)n1)C(N)=O ZINC001133947021 776797249 /nfs/dbraw/zinc/79/72/49/776797249.db2.gz RXEUVJOMFPKBFI-SNVBAGLBSA-N 0 3 282.348 -1.283 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133942926 776797383 /nfs/dbraw/zinc/79/73/83/776797383.db2.gz JRSLGJPXWHIGIO-ZJUUUORDSA-N 0 3 284.360 -1.270 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133942946 776797465 /nfs/dbraw/zinc/79/74/65/776797465.db2.gz KSKOUWNGFKNFAT-BDAKNGLRSA-N 0 3 270.333 -1.662 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133944022 776797579 /nfs/dbraw/zinc/79/75/79/776797579.db2.gz ZGDOHLZHMKWLDX-ZJUUUORDSA-N 0 3 265.317 -1.253 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133956750 776797584 /nfs/dbraw/zinc/79/75/84/776797584.db2.gz YNTOYXIQJZYOCY-SSDOTTSWSA-N 0 3 281.316 -1.433 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001133942858 776797597 /nfs/dbraw/zinc/79/75/97/776797597.db2.gz INOFZRLCBOWYIM-HRDYMLBCSA-N 0 3 268.317 -1.908 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1nnc2c1CCCC2 ZINC001133962658 776797701 /nfs/dbraw/zinc/79/77/01/776797701.db2.gz KICREFSZFLUCIM-UHFFFAOYSA-N 0 3 280.332 -1.652 20 0 CAADHN CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943951 776797890 /nfs/dbraw/zinc/79/78/90/776797890.db2.gz WRTAHHSXHXFGIP-MXWKQRLJSA-N 0 3 298.387 -1.026 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001133943253 776798036 /nfs/dbraw/zinc/79/80/36/776798036.db2.gz LADARPSROOOEEK-BDAKNGLRSA-N 0 3 268.317 -1.954 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943355 776798179 /nfs/dbraw/zinc/79/81/79/776798179.db2.gz OTHSNBIHSGSZAU-ZJUUUORDSA-N 0 3 284.360 -1.320 20 0 CAADHN Cc1ccn(CC(=O)NCCN[C@@H]2CCC(=O)NC2=O)n1 ZINC001134006048 776798596 /nfs/dbraw/zinc/79/85/96/776798596.db2.gz CMSKWWOJMVVWTR-SNVBAGLBSA-N 0 3 293.327 -1.297 20 0 CAADHN Cc1ccn(CC(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001134006079 776799057 /nfs/dbraw/zinc/79/90/57/776799057.db2.gz DKPOMIDDWCRQIW-SNVBAGLBSA-N 0 3 265.317 -1.214 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1nccn2ccnc12 ZINC001134002371 776799810 /nfs/dbraw/zinc/79/98/10/776799810.db2.gz WPNLHGQLAXNBSE-VIFPVBQESA-N 0 3 288.311 -1.063 20 0 CAADHN Cc1ccn(CC(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001133998217 776799965 /nfs/dbraw/zinc/79/99/65/776799965.db2.gz QYGPQLRPOQQQKR-VIFPVBQESA-N 0 3 253.306 -1.229 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1[nH]c(C)nc1C ZINC001133988387 776800061 /nfs/dbraw/zinc/80/00/61/776800061.db2.gz DVBJQSPKDVGRNN-UHFFFAOYSA-N 0 3 296.331 -1.198 20 0 CAADHN C[C@H]([NH2+]CCCNC(=O)Cc1nnc[n-]1)C(N)=O ZINC001170716951 776800071 /nfs/dbraw/zinc/80/00/71/776800071.db2.gz ALMBVDSMUHMUFZ-ZETCQYMHSA-N 0 3 254.294 -1.683 20 0 CAADHN Cc1ccn(CC(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001133998216 776800682 /nfs/dbraw/zinc/80/06/82/776800682.db2.gz QYGPQLRPOQQQKR-SECBINFHSA-N 0 3 253.306 -1.229 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1nccn2ccnc12 ZINC001134002370 776800765 /nfs/dbraw/zinc/80/07/65/776800765.db2.gz WPNLHGQLAXNBSE-SECBINFHSA-N 0 3 288.311 -1.063 20 0 CAADHN NC(=O)CNCCNC(=O)c1nccn2ccnc12 ZINC001134002042 776800836 /nfs/dbraw/zinc/80/08/36/776800836.db2.gz GAXOVUYIJYXUAC-UHFFFAOYSA-N 0 3 262.273 -1.466 20 0 CAADHN Cn1nncc1CNCCNC(=O)CCc1cn[nH]n1 ZINC001134013700 776801212 /nfs/dbraw/zinc/80/12/12/776801212.db2.gz BMIOHEMSYOZSIL-UHFFFAOYSA-N 0 3 278.320 -1.228 20 0 CAADHN Cn1nncc1CNCCNC(=O)CCc1c[nH]nn1 ZINC001134013700 776801225 /nfs/dbraw/zinc/80/12/25/776801225.db2.gz BMIOHEMSYOZSIL-UHFFFAOYSA-N 0 3 278.320 -1.228 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001135172889 776837760 /nfs/dbraw/zinc/83/77/60/776837760.db2.gz NTYTWILDTPPTPN-QMMMGPOBSA-N 0 3 272.349 -1.272 20 0 CAADHN O=C(Cc1nnc[n-]1)NCCC[NH2+][C@H]1CCCNC1=O ZINC001170717839 776802642 /nfs/dbraw/zinc/80/26/42/776802642.db2.gz UZEPFQTUZVNEQK-VIFPVBQESA-N 0 3 280.332 -1.278 20 0 CAADHN CC(C)NC(=O)C[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170717423 776802905 /nfs/dbraw/zinc/80/29/05/776802905.db2.gz OVMWKZDOMMKHNY-UHFFFAOYSA-N 0 3 282.348 -1.032 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170725891 776803860 /nfs/dbraw/zinc/80/38/60/776803860.db2.gz GYRUNJRUYDDEBX-MRVPVSSYSA-N 0 3 268.321 -1.422 20 0 CAADHN CC[C@@H]([NH2+]CCCNC(=O)Cc1nnc[n-]1)C(N)=O ZINC001170725444 776804029 /nfs/dbraw/zinc/80/40/29/776804029.db2.gz FONNQXINHRPMDS-MRVPVSSYSA-N 0 3 268.321 -1.293 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCc2nnnn2CC1)C(N)=O ZINC001134100124 776804211 /nfs/dbraw/zinc/80/42/11/776804211.db2.gz YQRYNVIQDCLDLV-IUCAKERBSA-N 0 3 295.347 -1.795 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CC[C@@H](C)O1)C(=O)NC(N)=O ZINC001134095977 776804233 /nfs/dbraw/zinc/80/42/33/776804233.db2.gz BZEAIPZEEPBUOR-IWSPIJDZSA-N 0 3 286.332 -1.157 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1OCC[C@H]1C)C(=O)NC(N)=O ZINC001134031381 776804567 /nfs/dbraw/zinc/80/45/67/776804567.db2.gz KVKNXDKDPHAPBL-HLTSFMKQSA-N 0 3 286.332 -1.299 20 0 CAADHN CN1CC[C@H]([NH2+]CCCNC(=O)Cc2nnc[n-]2)C1=O ZINC001170725322 776804780 /nfs/dbraw/zinc/80/47/80/776804780.db2.gz ATQNEBGAEZKAPV-VIFPVBQESA-N 0 3 280.332 -1.326 20 0 CAADHN C[C@H]([NH2+]CCCNC(=O)Cc1nnc[n-]1)C(=O)NC(N)=O ZINC001170726717 776805296 /nfs/dbraw/zinc/80/52/96/776805296.db2.gz PYIWDIQBABKFAD-ZETCQYMHSA-N 0 3 297.319 -1.974 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134098310 776805961 /nfs/dbraw/zinc/80/59/61/776805961.db2.gz BCNYFYVDTTZSOZ-SECBINFHSA-N 0 3 295.347 -1.923 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134110084 776805981 /nfs/dbraw/zinc/80/59/81/776805981.db2.gz IXXDINAHHPHTFG-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)NC(N)=O ZINC001134117580 776806263 /nfs/dbraw/zinc/80/62/63/776806263.db2.gz SMJAZQMBSVHWJE-JLIMGVALSA-N 0 3 298.343 -1.157 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](C)[C@@H]1CCC(=O)N1 ZINC001134111202 776806326 /nfs/dbraw/zinc/80/63/26/776806326.db2.gz RUDFZAQGNWDMBG-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](C(=O)NCCNCC(N)=O)[C@H]1CCC(=O)N1 ZINC001134111323 776806463 /nfs/dbraw/zinc/80/64/63/776806463.db2.gz UESDXLQZFQGYJX-HTQZYQBOSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](C(=O)NCCNCC(N)=O)[C@@H]1CCC(=O)N1 ZINC001134111326 776806620 /nfs/dbraw/zinc/80/66/20/776806620.db2.gz UESDXLQZFQGYJX-YUMQZZPRSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](C(=O)NCCNCC(N)=O)[C@H]1CCC(=O)N1 ZINC001134111324 776807052 /nfs/dbraw/zinc/80/70/52/776807052.db2.gz UESDXLQZFQGYJX-JGVFFNPUSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)N1CCC1)[C@H]1CCC(=O)N1 ZINC001134110003 776807345 /nfs/dbraw/zinc/80/73/45/776807345.db2.gz HZFNPIYBOGYPEJ-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN Cn1cc([C@@H]2C[C@H]2C(=O)NCCNCC(N)=O)cn1 ZINC001134126302 776807655 /nfs/dbraw/zinc/80/76/55/776807655.db2.gz KHZUJKCMKQQVIG-VHSXEESVSA-N 0 3 265.317 -1.285 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCNCC(=O)N(C)C ZINC001134169077 776807682 /nfs/dbraw/zinc/80/76/82/776807682.db2.gz ZKZYZRDZRGAUQU-SNVBAGLBSA-N 0 3 272.349 -1.305 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)c1cccnc1)C(N)=O ZINC001134151247 776807728 /nfs/dbraw/zinc/80/77/28/776807728.db2.gz WTSWGJRXPMXZSO-VIFPVBQESA-N 0 3 293.327 -1.609 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCN[C@H]1CCCNC1=O ZINC001134167822 776807844 /nfs/dbraw/zinc/80/78/44/776807844.db2.gz GIEINJJCSROQEZ-QWRGUYRKSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c(C)c[nH]c1CC(N)=O ZINC001134136410 776808125 /nfs/dbraw/zinc/80/81/25/776808125.db2.gz XOAQNVDVJOVBAC-UHFFFAOYSA-N 0 3 295.343 -1.584 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)c1cccnc1 ZINC001134151385 776808364 /nfs/dbraw/zinc/80/83/64/776808364.db2.gz ZTFLAKKJPFPXNA-UHFFFAOYSA-N 0 3 279.300 -1.998 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@H]1CCCNC1=O ZINC001134167820 776808613 /nfs/dbraw/zinc/80/86/13/776808613.db2.gz GIEINJJCSROQEZ-MNOVXSKESA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001134167824 776808877 /nfs/dbraw/zinc/80/88/77/776808877.db2.gz GIEINJJCSROQEZ-WDEREUQCSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001134174492 776808985 /nfs/dbraw/zinc/80/89/85/776808985.db2.gz BSVCBVBNMGGOEY-NXEZZACHSA-N 0 3 298.343 -1.588 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001134174785 776809636 /nfs/dbraw/zinc/80/96/36/776809636.db2.gz FVGHPFYIWBNPAP-WDEREUQCSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1ccnnc1 ZINC001134283435 776809655 /nfs/dbraw/zinc/80/96/55/776809655.db2.gz GCZZNVZRSLEIEY-UHFFFAOYSA-N 0 3 294.315 -1.358 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001134174784 776810211 /nfs/dbraw/zinc/81/02/11/776810211.db2.gz FVGHPFYIWBNPAP-QWRGUYRKSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001134174783 776810597 /nfs/dbraw/zinc/81/05/97/776810597.db2.gz FVGHPFYIWBNPAP-MNOVXSKESA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccnnc1 ZINC001134289943 776811434 /nfs/dbraw/zinc/81/14/34/776811434.db2.gz CUSLWZNGAFVUTF-QMMMGPOBSA-N 0 3 251.290 -1.070 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC12CC2 ZINC001134305446 776811507 /nfs/dbraw/zinc/81/15/07/776811507.db2.gz OKVOYKWZNNBEJL-MRVPVSSYSA-N 0 3 268.317 -1.052 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)NS(C)(=O)=O)C(N)=O ZINC001134352514 776812224 /nfs/dbraw/zinc/81/22/24/776812224.db2.gz LJKHMOKYUKRDEN-RNFRBKRXSA-N 0 3 280.350 -2.496 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccnnc1 ZINC001134289942 776812343 /nfs/dbraw/zinc/81/23/43/776812343.db2.gz CUSLWZNGAFVUTF-MRVPVSSYSA-N 0 3 251.290 -1.070 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCCNCC(=O)N(C)C ZINC001134351755 776812367 /nfs/dbraw/zinc/81/23/67/776812367.db2.gz FBEBFPGAWWFWSZ-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC12CC2 ZINC001134305064 776812676 /nfs/dbraw/zinc/81/26/76/776812676.db2.gz HORNYYCQIZFJFA-SSDOTTSWSA-N 0 3 254.290 -1.313 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H](C)NS(C)(=O)=O)C(N)=O ZINC001134355940 776813510 /nfs/dbraw/zinc/81/35/10/776813510.db2.gz FLEZQXMTYHFOQJ-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H](C)NS(C)(=O)=O)C(N)=O ZINC001134355941 776814054 /nfs/dbraw/zinc/81/40/54/776814054.db2.gz FLEZQXMTYHFOQJ-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1c[nH]cn1 ZINC001134406855 776814684 /nfs/dbraw/zinc/81/46/84/776814684.db2.gz FFFNBQSWPJTURY-UHFFFAOYSA-N 0 3 282.304 -1.886 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1cnc[nH]1)c1nnnn1C ZINC001134392903 776814920 /nfs/dbraw/zinc/81/49/20/776814920.db2.gz AYPGWDCWSSPBMN-MRVPVSSYSA-N 0 3 278.320 -1.057 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)Cc1c[nH]cn1 ZINC001134407061 776816124 /nfs/dbraw/zinc/81/61/24/776816124.db2.gz PEGNADPTUQEOAL-UHFFFAOYSA-N 0 3 297.359 -1.189 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)Cc1c[nH]cn1 ZINC001134407186 776816447 /nfs/dbraw/zinc/81/64/47/776816447.db2.gz VFPSEHGONUVSCH-UHFFFAOYSA-N 0 3 297.359 -1.189 20 0 CAADHN C[C@H](NCCNC(=O)Cc1cnc[nH]1)c1nnnn1C ZINC001134392904 776816500 /nfs/dbraw/zinc/81/65/00/776816500.db2.gz AYPGWDCWSSPBMN-QMMMGPOBSA-N 0 3 278.320 -1.057 20 0 CAADHN Cn1cc(CNCCNC(=O)Cc2cnc[nH]2)nn1 ZINC001134394029 776816602 /nfs/dbraw/zinc/81/66/02/776816602.db2.gz UNUXAIWPICUGAB-UHFFFAOYSA-N 0 3 263.305 -1.013 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455272 776816740 /nfs/dbraw/zinc/81/67/40/776816740.db2.gz CKLSZHRMNVBNEH-SFYZADRCSA-N 0 3 297.315 -2.431 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461074 776817476 /nfs/dbraw/zinc/81/74/76/776817476.db2.gz NIZNWJFRRLUQBP-ZETCQYMHSA-N 0 3 285.304 -2.574 20 0 CAADHN C[C@@H](NCCNC(=O)CNS(=O)(=O)N(C)C)C(N)=O ZINC001134487429 776817544 /nfs/dbraw/zinc/81/75/44/776817544.db2.gz NAVJRZSMQDVMIQ-SSDOTTSWSA-N 0 3 295.365 -3.038 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1cc(Cl)cn1 ZINC001134474168 776817665 /nfs/dbraw/zinc/81/76/65/776817665.db2.gz PKSGLRACOYWKIP-UHFFFAOYSA-N 0 3 273.724 -1.012 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460571 776817716 /nfs/dbraw/zinc/81/77/16/776817716.db2.gz DKBGBKJEOPFOHX-RQJHMYQMSA-N 0 3 283.288 -2.821 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460749 776817853 /nfs/dbraw/zinc/81/78/53/776817853.db2.gz GXEBAUSWHDMLPC-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(N)=O ZINC001134456250 776818145 /nfs/dbraw/zinc/81/81/45/776818145.db2.gz RKUNMKMSJCWGTM-BQBZGAKWSA-N 0 3 285.304 -2.446 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1cc(Cl)cn1 ZINC001134478317 776818336 /nfs/dbraw/zinc/81/83/36/776818336.db2.gz ZSYVHQASWZMKTC-UHFFFAOYSA-N 0 3 259.697 -1.272 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(N)=O ZINC001134456251 776818357 /nfs/dbraw/zinc/81/83/57/776818357.db2.gz RKUNMKMSJCWGTM-RQJHMYQMSA-N 0 3 285.304 -2.446 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456138 776818605 /nfs/dbraw/zinc/81/86/05/776818605.db2.gz ODBDCUFFUIMKKK-ZETCQYMHSA-N 0 3 285.304 -2.622 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456518 776818710 /nfs/dbraw/zinc/81/87/10/776818710.db2.gz XZIMZRFGXVBLLE-QMMMGPOBSA-N 0 3 299.331 -2.184 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460445 776818808 /nfs/dbraw/zinc/81/88/08/776818808.db2.gz BHLSRDAKNLFVTI-YFKPBYRVSA-N 0 3 257.250 -3.224 20 0 CAADHN Cc1ccn(CC(=O)NCCN[C@@H](C)C(N)=O)c(=O)c1 ZINC001134538060 776819131 /nfs/dbraw/zinc/81/91/31/776819131.db2.gz MDKWSXWLNHRJRC-JTQLQIEISA-N 0 3 280.328 -1.264 20 0 CAADHN CCCN1C[C@@H](C(=O)NCCN[C@H](C)C(N)=O)CC1=O ZINC001134502657 776819426 /nfs/dbraw/zinc/81/94/26/776819426.db2.gz DSEWEYLSJSRMAC-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CC(=O)NCCNCC(=O)NC(N)=O)n1ccnc1 ZINC001134499235 776819461 /nfs/dbraw/zinc/81/94/61/776819461.db2.gz ZFAYRXCVYDVBNR-SECBINFHSA-N 0 3 296.331 -1.265 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1ccc(C)cc1=O ZINC001134543453 776819958 /nfs/dbraw/zinc/81/99/58/776819958.db2.gz FHODNTZQMWPSTR-NSHDSACASA-N 0 3 294.355 -1.003 20 0 CAADHN C[C@@H](CC(=O)NCCNCC(=O)NC(N)=O)n1ccnc1 ZINC001134499236 776820037 /nfs/dbraw/zinc/82/00/37/776820037.db2.gz ZFAYRXCVYDVBNR-VIFPVBQESA-N 0 3 296.331 -1.265 20 0 CAADHN CCCN1C[C@@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001134502306 776820154 /nfs/dbraw/zinc/82/01/54/776820154.db2.gz ADGNYQVXDBTVQB-VIFPVBQESA-N 0 3 270.333 -1.564 20 0 CAADHN CCn1cc(C(=O)NCCNCC(=O)NC(N)=O)c(C)n1 ZINC001134511383 776820217 /nfs/dbraw/zinc/82/02/17/776820217.db2.gz XYAVODJPQQMQRL-UHFFFAOYSA-N 0 3 296.331 -1.274 20 0 CAADHN Cc1ccnn1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001134513308 776820378 /nfs/dbraw/zinc/82/03/78/776820378.db2.gz LPUOSEMCRCSVNJ-SNVBAGLBSA-N 0 3 265.317 -1.214 20 0 CAADHN Cc1ccnn1CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001134523394 776820439 /nfs/dbraw/zinc/82/04/39/776820439.db2.gz GOCONMDWOVFKEI-SECBINFHSA-N 0 3 296.331 -1.519 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1ccc(C)cc1=O ZINC001134543452 776820462 /nfs/dbraw/zinc/82/04/62/776820462.db2.gz FHODNTZQMWPSTR-LLVKDONJSA-N 0 3 294.355 -1.003 20 0 CAADHN Cc1ccnn1CC(=O)NCCN[C@H](C)C(N)=O ZINC001134513151 776820552 /nfs/dbraw/zinc/82/05/52/776820552.db2.gz CYIPRIYAAQUETP-SECBINFHSA-N 0 3 253.306 -1.229 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001134617142 776820915 /nfs/dbraw/zinc/82/09/15/776820915.db2.gz HYJXPOWHJKZOAU-RKDXNWHRSA-N 0 3 270.333 -1.531 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1ccc(C)cc1=O ZINC001134540844 776820934 /nfs/dbraw/zinc/82/09/34/776820934.db2.gz VQSGJMBZLJWGLE-UHFFFAOYSA-N 0 3 294.355 -1.001 20 0 CAADHN NC(=O)CNCCNC(=O)COC1CCOCC1 ZINC001134633668 776821113 /nfs/dbraw/zinc/82/11/13/776821113.db2.gz VEBURURIOWDIBH-UHFFFAOYSA-N 0 3 259.306 -1.627 20 0 CAADHN Cc1ccn(CC(=O)NCCNCC(=O)N(C)C)c(=O)c1 ZINC001134540894 776821367 /nfs/dbraw/zinc/82/13/67/776821367.db2.gz XOIXVCLLWNLIHA-UHFFFAOYSA-N 0 3 294.355 -1.049 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)COC1CCOCC1 ZINC001134633501 776821416 /nfs/dbraw/zinc/82/14/16/776821416.db2.gz SWKVXYURDREQEI-UHFFFAOYSA-N 0 3 287.360 -1.024 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCC[C@@H](C(N)=O)C1 ZINC001134617138 776821457 /nfs/dbraw/zinc/82/14/57/776821457.db2.gz HYJXPOWHJKZOAU-BDAKNGLRSA-N 0 3 270.333 -1.531 20 0 CAADHN NC(=O)CNCCNC(=O)COC[C@@H]1CCOC1 ZINC001134640330 776821819 /nfs/dbraw/zinc/82/18/19/776821819.db2.gz FPXIHSIPRCVXCJ-SECBINFHSA-N 0 3 259.306 -1.769 20 0 CAADHN COc1c(C(=O)NCCN[C@H]2CCNC2=O)c(C)nn1C ZINC001134596911 776821948 /nfs/dbraw/zinc/82/19/48/776821948.db2.gz ZMTXKNYZXCGCCP-VIFPVBQESA-N 0 3 295.343 -1.055 20 0 CAADHN CC(C)n1ccc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001134591585 776822141 /nfs/dbraw/zinc/82/21/41/776822141.db2.gz QDEIWJIYJBIPEW-UHFFFAOYSA-N 0 3 296.331 -1.022 20 0 CAADHN C[C@H](NCCNC(=O)COC1CCOCC1)C(N)=O ZINC001134632860 776822485 /nfs/dbraw/zinc/82/24/85/776822485.db2.gz IZWHXDSSPDMFHC-VIFPVBQESA-N 0 3 273.333 -1.238 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)COC[C@@H]1CCOC1 ZINC001134655258 776822815 /nfs/dbraw/zinc/82/28/15/776822815.db2.gz AHXNJIQPZIYENP-GHMZBOCLSA-N 0 3 287.360 -1.120 20 0 CAADHN CNC(=O)CNCCNC(=O)COC[C@@H]1CCOC1 ZINC001134641128 776822909 /nfs/dbraw/zinc/82/29/09/776822909.db2.gz RCJADOPIVYOHRQ-SNVBAGLBSA-N 0 3 273.333 -1.509 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)COC[C@@H]1CCOC1 ZINC001134655261 776822924 /nfs/dbraw/zinc/82/29/24/776822924.db2.gz AHXNJIQPZIYENP-WDEREUQCSA-N 0 3 287.360 -1.120 20 0 CAADHN COCCO[C@H](C)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001134674125 776823727 /nfs/dbraw/zinc/82/37/27/776823727.db2.gz VTIFTVKLJQPDRD-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CCNC(=O)NC(C)(C)C(=O)NCCN[C@H](C)C(N)=O ZINC001134700869 776825368 /nfs/dbraw/zinc/82/53/68/776825368.db2.gz SKZIPJQNPCCEAZ-MRVPVSSYSA-N 0 3 287.364 -1.336 20 0 CAADHN COCCO[C@@H](C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001134660334 776825459 /nfs/dbraw/zinc/82/54/59/776825459.db2.gz XWBAXNYRKQOUTD-VHSXEESVSA-N 0 3 273.333 -1.368 20 0 CAADHN COCCO[C@@H](C)C(=O)NCCNCC(=O)N1CCC1 ZINC001134660291 776825545 /nfs/dbraw/zinc/82/55/45/776825545.db2.gz XBLSWJZNYWWFKQ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)OCCOC ZINC001134663470 776825616 /nfs/dbraw/zinc/82/56/16/776825616.db2.gz LBLAPPBKKPEYSA-ZJUUUORDSA-N 0 3 275.349 -1.122 20 0 CAADHN COCCO[C@@H](C)C(=O)NCCN[C@H]1CCNC1=O ZINC001134660333 776825913 /nfs/dbraw/zinc/82/59/13/776825913.db2.gz XWBAXNYRKQOUTD-UWVGGRQHSA-N 0 3 273.333 -1.368 20 0 CAADHN COCCO[C@H](C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001134659810 776826063 /nfs/dbraw/zinc/82/60/63/776826063.db2.gz LAFIQPFMKYPXKC-DTWKUNHWSA-N 0 3 261.322 -1.383 20 0 CAADHN C[C@@H](NCCNC(=O)CN1C(=O)C(=O)N(C)C1=O)C(N)=O ZINC001134696619 776826193 /nfs/dbraw/zinc/82/61/93/776826193.db2.gz FONSCXHUOOCVFU-ZCFIWIBFSA-N 0 3 299.287 -3.013 20 0 CAADHN CN1C[C@@H](C(=O)NCCCNCc2cnnn2C)CC1=O ZINC001159247872 776826394 /nfs/dbraw/zinc/82/63/94/776826394.db2.gz BPAPFMRRTKAQRL-JTQLQIEISA-N 0 3 294.359 -1.111 20 0 CAADHN CCn1ccc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001134767381 776827112 /nfs/dbraw/zinc/82/71/12/776827112.db2.gz XKKCDNNRZIUCKH-UHFFFAOYSA-N 0 3 282.304 -1.583 20 0 CAADHN CCn1ccc(C(=O)NCCNCC(=O)NC)n1 ZINC001134767018 776827612 /nfs/dbraw/zinc/82/76/12/776827612.db2.gz PSNUXWFLBBNTMV-UHFFFAOYSA-N 0 3 253.306 -1.032 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cncc(OC)n1 ZINC001134833556 776828293 /nfs/dbraw/zinc/82/82/93/776828293.db2.gz XWDNGVQCEVFURN-UHFFFAOYSA-N 0 3 267.289 -1.449 20 0 CAADHN CC[C@H](F)CNCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829644 776828585 /nfs/dbraw/zinc/82/85/85/776828585.db2.gz NCAKPMZHGAIUDB-UWVGGRQHSA-N 0 3 290.339 -1.180 20 0 CAADHN COc1cncc(C(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001134829352 776828759 /nfs/dbraw/zinc/82/87/59/776828759.db2.gz GSHDTNARBMJVAU-SSDOTTSWSA-N 0 3 267.289 -1.322 20 0 CAADHN COc1cncc(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001134837150 776829055 /nfs/dbraw/zinc/82/90/55/776829055.db2.gz UDUJPGFZJFIUAE-MRVPVSSYSA-N 0 3 279.300 -1.307 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cncc(OC)n1 ZINC001134833645 776829159 /nfs/dbraw/zinc/82/91/59/776829159.db2.gz ZWSLRDLRMSRLOQ-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCNC/C=C/Cl)C(N)=O ZINC001134837322 776829187 /nfs/dbraw/zinc/82/91/87/776829187.db2.gz VTXFPBZGYLHPMW-HPOULIHZSA-N 0 3 290.751 -1.175 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134830091 776829575 /nfs/dbraw/zinc/82/95/75/776829575.db2.gz WATSSIWLUSWOFI-QMMMGPOBSA-N 0 3 287.320 -3.182 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CC(=O)N(C)C ZINC001134941322 776830073 /nfs/dbraw/zinc/83/00/73/776830073.db2.gz ANSYUWZLNPPXNF-UHFFFAOYSA-N 0 3 272.349 -1.305 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CC(=O)N(C)C ZINC001134933620 776830850 /nfs/dbraw/zinc/83/08/50/776830850.db2.gz YYOBBTZXTWTVDH-QMMMGPOBSA-N 0 3 258.322 -1.695 20 0 CAADHN C[C@H](NCCNC(=O)Cc1cscn1)C(=O)NC(N)=O ZINC001134869804 776830986 /nfs/dbraw/zinc/83/09/86/776830986.db2.gz XYRYWJMDYWTBHW-ZETCQYMHSA-N 0 3 299.356 -1.025 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(N)=O ZINC001134890559 776831020 /nfs/dbraw/zinc/83/10/20/776831020.db2.gz RWLLSMUQNOWSFJ-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CC(=O)N(C)C ZINC001134933171 776831441 /nfs/dbraw/zinc/83/14/41/776831441.db2.gz RDAXVLNBCRAGCJ-UHFFFAOYSA-N 0 3 272.349 -1.303 20 0 CAADHN CCNC(=O)CNCCNC(=O)CC(=O)N(C)C ZINC001134941578 776831789 /nfs/dbraw/zinc/83/17/89/776831789.db2.gz JCZYPKSMTRRDSV-UHFFFAOYSA-N 0 3 258.322 -1.693 20 0 CAADHN CN(C)C(=O)CC(=O)NCCNCC(=O)N1CCC1 ZINC001134939515 776831808 /nfs/dbraw/zinc/83/18/08/776831808.db2.gz ZWELVDSGVAXXOH-UHFFFAOYSA-N 0 3 270.333 -1.597 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnc2cccnn21)C(N)=O ZINC001134939419 776831825 /nfs/dbraw/zinc/83/18/25/776831825.db2.gz WIAMXTPDKXKHNY-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cnc2cccnn21 ZINC001134944777 776831966 /nfs/dbraw/zinc/83/19/66/776831966.db2.gz DLERSNWDIXTCLI-VIFPVBQESA-N 0 3 288.311 -1.063 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnc2cccnn21 ZINC001134945285 776832265 /nfs/dbraw/zinc/83/22/65/776832265.db2.gz SNMNOZJXXGXIDA-UHFFFAOYSA-N 0 3 276.300 -1.205 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CC(=O)N(C)C ZINC001134942028 776832866 /nfs/dbraw/zinc/83/28/66/776832866.db2.gz WKGHREOETLCDPM-UHFFFAOYSA-N 0 3 287.320 -2.374 20 0 CAADHN O=C(CCc1cn[nH]c1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001135049261 776833857 /nfs/dbraw/zinc/83/38/57/776833857.db2.gz AHMGXNGBSUMHGS-SNVBAGLBSA-N 0 3 293.327 -1.147 20 0 CAADHN CC(C)c1nnnn1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001135001999 776834276 /nfs/dbraw/zinc/83/42/76/776834276.db2.gz UEPPJWRAEUEWEO-QMMMGPOBSA-N 0 3 283.336 -1.624 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1nnnc1C(C)C ZINC001134999005 776834528 /nfs/dbraw/zinc/83/45/28/776834528.db2.gz GIZIRWGOTJLSPN-UHFFFAOYSA-N 0 3 297.363 -1.362 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1nnnc1C(C)C ZINC001135001753 776835163 /nfs/dbraw/zinc/83/51/63/776835163.db2.gz KCLMRMSIFGZWBR-SECBINFHSA-N 0 3 297.363 -1.363 20 0 CAADHN C[C@H](NCCNC(=O)C(C)(C)NS(C)(=O)=O)C(N)=O ZINC001134963516 776835386 /nfs/dbraw/zinc/83/53/86/776835386.db2.gz MTPVMDHWXGMGHN-ZETCQYMHSA-N 0 3 294.377 -2.106 20 0 CAADHN O=C(CCc1cn[nH]c1)NCCN[C@H]1CCNC1=O ZINC001135050259 776836212 /nfs/dbraw/zinc/83/62/12/776836212.db2.gz ZJJSQLMQVQSZRQ-JTQLQIEISA-N 0 3 265.317 -1.063 20 0 CAADHN C[C@H](Cc1c[nH]cn1)C(=O)NCCNCC(N)=O ZINC001135080362 776836289 /nfs/dbraw/zinc/83/62/89/776836289.db2.gz RMUZQNLFOJVAQD-MRVPVSSYSA-N 0 3 253.306 -1.221 20 0 CAADHN O=C(NCCNCCF)C1(n2cnnn2)CCOCC1 ZINC001135111405 776836355 /nfs/dbraw/zinc/83/63/55/776836355.db2.gz YHLGXZRKBJEOBZ-UHFFFAOYSA-N 0 3 286.311 -1.146 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1nc(C)c[nH]1 ZINC001135055172 776836482 /nfs/dbraw/zinc/83/64/82/776836482.db2.gz OHHRAPZRIMTYTJ-UHFFFAOYSA-N 0 3 296.331 -1.117 20 0 CAADHN NC(=O)CNCCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001135110322 776836747 /nfs/dbraw/zinc/83/67/47/776836747.db2.gz AXWQNZREMXKYPJ-UHFFFAOYSA-N 0 3 297.319 -2.630 20 0 CAADHN C[C@H](Cc1c[nH]cn1)C(=O)NCCNCC(=O)NC(N)=O ZINC001135080640 776837306 /nfs/dbraw/zinc/83/73/06/776837306.db2.gz YUULWCDYZOLCAV-MRVPVSSYSA-N 0 3 296.331 -1.511 20 0 CAADHN CNC(=O)CNCCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135154931 776837869 /nfs/dbraw/zinc/83/78/69/776837869.db2.gz JHVATGBBMHHARH-UHFFFAOYSA-N 0 3 297.315 -2.574 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C(C)(C)CNC(C)=O ZINC001135172711 776838009 /nfs/dbraw/zinc/83/80/09/776838009.db2.gz GXVDZPFBBWQUCM-VIFPVBQESA-N 0 3 286.376 -1.011 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)CNC(C)=O ZINC001135172710 776838721 /nfs/dbraw/zinc/83/87/21/776838721.db2.gz GXVDZPFBBWQUCM-SECBINFHSA-N 0 3 286.376 -1.011 20 0 CAADHN O=C(CCNC(=O)C1CCC1)NCCN[C@@H]1CCNC1=O ZINC001135193939 776838736 /nfs/dbraw/zinc/83/87/36/776838736.db2.gz CSKCWNJIXYPZMQ-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1 ZINC001135138485 776838883 /nfs/dbraw/zinc/83/88/83/776838883.db2.gz HXJKUMYJONCEJI-ZYHUDNBSSA-N 0 3 295.343 -1.521 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C(C)(C)C(N)=O ZINC001283772003 777916305 /nfs/dbraw/zinc/91/63/05/777916305.db2.gz MONVLAFNYQYLTF-MRVPVSSYSA-N 0 3 261.322 -1.789 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001283771005 777916520 /nfs/dbraw/zinc/91/65/20/777916520.db2.gz MTPCXIFZPSWESP-UWVGGRQHSA-N 0 3 273.333 -1.774 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001283782680 777916680 /nfs/dbraw/zinc/91/66/80/777916680.db2.gz RZUNPLACZAMKEV-ZJUUUORDSA-N 0 3 294.373 -1.866 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001283782677 777917110 /nfs/dbraw/zinc/91/71/10/777917110.db2.gz RZUNPLACZAMKEV-NXEZZACHSA-N 0 3 294.373 -1.866 20 0 CAADHN CO[C@@H](CN[C@@H](CO)CNC(=O)C(N)=O)C1CCC1 ZINC001283798485 777918075 /nfs/dbraw/zinc/91/80/75/777918075.db2.gz YBQMFFYPPUPIIU-ZJUUUORDSA-N 0 3 273.333 -1.647 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1CCN(C)C1=O ZINC001283795341 777918129 /nfs/dbraw/zinc/91/81/29/777918129.db2.gz DPGIURIDIZROMX-VHSXEESVSA-N 0 3 273.333 -1.822 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@@H](CO)NCCO)c[nH]1 ZINC001283819784 777921025 /nfs/dbraw/zinc/92/10/25/777921025.db2.gz ZQLUVAZEDLGSSY-VIFPVBQESA-N 0 3 269.301 -1.644 20 0 CAADHN O=C(NC[C@H](CO)NCCNC(=O)C1CC1)c1cnon1 ZINC001283814361 777921299 /nfs/dbraw/zinc/92/12/99/777921299.db2.gz GDNHZEZQNUNRPG-SECBINFHSA-N 0 3 297.315 -1.724 20 0 CAADHN CN(C)C1(C(=O)N[C@H]2CCN(C(=O)C(N)=O)C2)CCC1 ZINC001283867952 777923639 /nfs/dbraw/zinc/92/36/39/777923639.db2.gz JPPKJWWCEWLFCQ-VIFPVBQESA-N 0 3 282.344 -1.327 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001283868745 777923829 /nfs/dbraw/zinc/92/38/29/777923829.db2.gz MZXBRNLFAINYCO-VIFPVBQESA-N 0 3 270.333 -1.471 20 0 CAADHN CCN(CC)CC(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001283891271 777923864 /nfs/dbraw/zinc/92/38/64/777923864.db2.gz IINPYMYOSBYXRQ-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001283868743 777924027 /nfs/dbraw/zinc/92/40/27/777924027.db2.gz MZXBRNLFAINYCO-SECBINFHSA-N 0 3 270.333 -1.471 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001283896936 777925106 /nfs/dbraw/zinc/92/51/06/777925106.db2.gz BGSIZSGLJFHJDA-NKWVEPMBSA-N 0 3 285.304 -2.494 20 0 CAADHN CNC(=O)CC(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001284011301 777926395 /nfs/dbraw/zinc/92/63/95/777926395.db2.gz DYISYDOHTUJAGG-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CC(C)[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1)N(C)C ZINC001284101729 777927806 /nfs/dbraw/zinc/92/78/06/777927806.db2.gz QZCPDUKHZVZATC-KXUCPTDWSA-N 0 3 284.360 -1.179 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001284481948 777945631 /nfs/dbraw/zinc/94/56/31/777945631.db2.gz JWFLOCQDUYRQLF-QWRGUYRKSA-N 0 3 260.334 -1.091 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(N)=O ZINC001284152295 777929202 /nfs/dbraw/zinc/92/92/02/777929202.db2.gz WBLUKKKFIJNJBE-COMAGPEQSA-N 0 3 294.355 -1.471 20 0 CAADHN CCN(CC)CC(=O)N[C@H](C)CNC(=O)CC(N)=O ZINC001284213227 777931038 /nfs/dbraw/zinc/93/10/38/777931038.db2.gz MAYJTYOHRQPHBU-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@H](C)CNC(=O)C(N)=O)N(C)C ZINC001284318229 777935076 /nfs/dbraw/zinc/93/50/76/777935076.db2.gz LPFINFRPNGZWBD-BDAKNGLRSA-N 0 3 272.349 -1.321 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001284318122 777935302 /nfs/dbraw/zinc/93/53/02/777935302.db2.gz JVDJMDLXILJUGG-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccccn1 ZINC001284374719 777937692 /nfs/dbraw/zinc/93/76/92/777937692.db2.gz RNPPAZUMKZIEHB-VIFPVBQESA-N 0 3 266.301 -1.411 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CCOC1 ZINC001284387620 777938310 /nfs/dbraw/zinc/93/83/10/777938310.db2.gz MZAXGJAOPQYIFO-BDAKNGLRSA-N 0 3 259.306 -2.083 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001284404110 777939573 /nfs/dbraw/zinc/93/95/73/777939573.db2.gz VZGILIJWNCAUHR-QMMMGPOBSA-N 0 3 274.321 -2.593 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)CN1CCOCC1 ZINC001284399223 777939678 /nfs/dbraw/zinc/93/96/78/777939678.db2.gz JVMRZDCBYZKANS-LLVKDONJSA-N 0 3 277.340 -1.303 20 0 CAADHN C[C@@H](CC(=O)N(C)C[C@@H](O)CNCCF)NC(N)=O ZINC001284418943 777940179 /nfs/dbraw/zinc/94/01/79/777940179.db2.gz WNTDJMMSALXPGN-IUCAKERBSA-N 0 3 278.328 -1.188 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)CN1CCOCC1 ZINC001284399227 777940325 /nfs/dbraw/zinc/94/03/25/777940325.db2.gz JVMRZDCBYZKANS-NSHDSACASA-N 0 3 277.340 -1.303 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001284481945 777945081 /nfs/dbraw/zinc/94/50/81/777945081.db2.gz JWFLOCQDUYRQLF-MNOVXSKESA-N 0 3 260.334 -1.091 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CCCO1 ZINC001284481942 777945595 /nfs/dbraw/zinc/94/55/95/777945595.db2.gz JWFLOCQDUYRQLF-GHMZBOCLSA-N 0 3 260.334 -1.091 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CN(C)CCN1C(=O)CCC1=O ZINC001284475689 777945900 /nfs/dbraw/zinc/94/59/00/777945900.db2.gz CBRJWRJNDVGPDG-NSHDSACASA-N 0 3 285.344 -1.094 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001284481356 777946070 /nfs/dbraw/zinc/94/60/70/777946070.db2.gz GIYBCJMATDYZPZ-WDEREUQCSA-N 0 3 260.334 -1.234 20 0 CAADHN C[C@H]1CC[C@H](C)N1CC(=O)NCCN(C)C(=O)C(N)=O ZINC001284535030 777948116 /nfs/dbraw/zinc/94/81/16/777948116.db2.gz FAHWMFQSIBIMAH-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCNC1=O)C(=O)CN1CCCC1 ZINC001284565628 777950524 /nfs/dbraw/zinc/95/05/24/777950524.db2.gz PVORMLPZWNECNQ-LLVKDONJSA-N 0 3 296.371 -1.207 20 0 CAADHN CN(CCNC(=O)C1(C(N)=O)CC1)C(=O)CN1CCCC1 ZINC001284580792 777951346 /nfs/dbraw/zinc/95/13/46/777951346.db2.gz LJIKAKGEUSLBBN-UHFFFAOYSA-N 0 3 296.371 -1.078 20 0 CAADHN CCN(CCNC(=O)C(N)=O)C(=O)CN1CC[C@H](C)C1 ZINC001284644894 777952187 /nfs/dbraw/zinc/95/21/87/777952187.db2.gz DIDFXVLDUOHSNS-JTQLQIEISA-N 0 3 284.360 -1.222 20 0 CAADHN CC[C@H](C(=O)N(CC)CCNC(=O)C(N)=O)N(C)C ZINC001284640566 777952351 /nfs/dbraw/zinc/95/23/51/777952351.db2.gz CMQMIMAKVPATPK-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CCN(CCNC(=O)C(N)=O)C(=O)CN1CC[C@@H](C)C1 ZINC001284644897 777952498 /nfs/dbraw/zinc/95/24/98/777952498.db2.gz DIDFXVLDUOHSNS-SNVBAGLBSA-N 0 3 284.360 -1.222 20 0 CAADHN CC[C@@H](C(=O)N(CC)CCNC(=O)C(N)=O)N(C)C ZINC001284640567 777952638 /nfs/dbraw/zinc/95/26/38/777952638.db2.gz CMQMIMAKVPATPK-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN CC[C@H](C(=O)NCCN(CC)C(=O)C(N)=O)N(C)C ZINC001284627388 777952818 /nfs/dbraw/zinc/95/28/18/777952818.db2.gz KOHJKJLKEIGDMF-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CC(C)(C)[C@H](CNCC(=O)N1CCC1)NC(=O)C(N)=O ZINC001284624026 777952990 /nfs/dbraw/zinc/95/29/90/777952990.db2.gz DPPCKVNYTITKGA-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)(C)[C@@H](CNCC(=O)N1CCC1)NC(=O)C(N)=O ZINC001284624023 777953161 /nfs/dbraw/zinc/95/31/61/777953161.db2.gz DPPCKVNYTITKGA-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](C(=O)NC[C@H]1CCCN1C(=O)C(N)=O)N(C)C ZINC001284680295 777954001 /nfs/dbraw/zinc/95/40/01/777954001.db2.gz HDFNDAITJYJOBS-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@H](C(N)=O)N1CCC([C@@H](C)NC(=O)C(N)=O)CC1 ZINC001284696057 777955109 /nfs/dbraw/zinc/95/51/09/777955109.db2.gz ZGIYZAPNJJHMMD-PSASIEDQSA-N 0 3 284.360 -1.048 20 0 CAADHN CN1CCC[C@@H]1C(=O)N(CCNC(=O)C(N)=O)C1CC1 ZINC001284749498 777955791 /nfs/dbraw/zinc/95/57/91/777955791.db2.gz HMNODMWTORAVTN-SNVBAGLBSA-N 0 3 282.344 -1.327 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)c1cncnc1 ZINC001284863910 777957228 /nfs/dbraw/zinc/95/72/28/777957228.db2.gz QOUWYWSMLWOOFI-UHFFFAOYSA-N 0 3 295.343 -1.099 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)[C@]12C[C@H]1COC2 ZINC001284868807 777957270 /nfs/dbraw/zinc/95/72/70/777957270.db2.gz GCWKHPBMMGOXEY-GWCFXTLKSA-N 0 3 285.344 -1.427 20 0 CAADHN Cc1cc(C(=O)N(C)CCOCCNCC(N)=O)n(C)n1 ZINC001284854723 777957286 /nfs/dbraw/zinc/95/72/86/777957286.db2.gz LRLQFGAOCMAVJY-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)c1ccnnc1 ZINC001284876339 777958107 /nfs/dbraw/zinc/95/81/07/777958107.db2.gz UKEPTEUIQDFOLH-UHFFFAOYSA-N 0 3 295.343 -1.099 20 0 CAADHN CCNC(=O)CC(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001284897510 777960081 /nfs/dbraw/zinc/96/00/81/777960081.db2.gz QLEWYWMHLALQRO-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001284898489 777960160 /nfs/dbraw/zinc/96/01/60/777960160.db2.gz RTGBDGQRKSEKSG-UHFFFAOYSA-N 0 3 296.371 -1.065 20 0 CAADHN CC[C@H](CNC(=O)CN(C)C(C)C)NC(=O)C(N)=O ZINC001285063371 777965704 /nfs/dbraw/zinc/96/57/04/777965704.db2.gz HXMVQMQXCRDDEW-SECBINFHSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](CC)N(C)C)NC(=O)C(N)=O ZINC001285079863 777966039 /nfs/dbraw/zinc/96/60/39/777966039.db2.gz VFWOFUOFLYBKLV-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CC)NC(=O)C(N)=O)N(C)C ZINC001285079860 777966207 /nfs/dbraw/zinc/96/62/07/777966207.db2.gz VFWOFUOFLYBKLV-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN CC(C)N(C)CC(=O)N1CCC[C@@H]1CNC(=O)C(N)=O ZINC001285190131 777968514 /nfs/dbraw/zinc/96/85/14/777968514.db2.gz UQVVPTFZRQGPFD-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CC(CNC(=O)C(N)=O)C1 ZINC001285241175 777969735 /nfs/dbraw/zinc/96/97/35/777969735.db2.gz ORNVGQUJQDERAF-UHFFFAOYSA-N 0 3 293.327 -1.243 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001285377431 777972797 /nfs/dbraw/zinc/97/27/97/777972797.db2.gz RVPYFDVZBJXZBE-RKDXNWHRSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@H](NC(=O)C(N)=O)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001285377429 777972877 /nfs/dbraw/zinc/97/28/77/777972877.db2.gz RVPYFDVZBJXZBE-IUCAKERBSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)NC(=O)C(N)=O ZINC001285377427 777972914 /nfs/dbraw/zinc/97/29/14/777972914.db2.gz RVPYFDVZBJXZBE-DTWKUNHWSA-N 0 3 284.360 -1.035 20 0 CAADHN NC(=O)CC(=O)NC/C=C/CNC(=O)CN1CCCC1 ZINC001285509991 777977497 /nfs/dbraw/zinc/97/74/97/777977497.db2.gz BLLVBPZEYKKQPK-OWOJBTEDSA-N 0 3 282.344 -1.254 20 0 CAADHN C[C@H](CNC(=O)CC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001285658715 777983100 /nfs/dbraw/zinc/98/31/00/777983100.db2.gz RFHRXNXLICAYNV-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C(N)=O ZINC001285771736 777987319 /nfs/dbraw/zinc/98/73/19/777987319.db2.gz BFSZGNASCQXJMY-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C(N)=O ZINC001285771734 777987416 /nfs/dbraw/zinc/98/74/16/777987416.db2.gz BFSZGNASCQXJMY-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)C(N)=O)N(C)C ZINC001285878279 777990723 /nfs/dbraw/zinc/99/07/23/777990723.db2.gz DKBOVFZJOMIQTQ-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@H]1CNC(=O)CC(N)=O)N(C)C ZINC001285845126 777990865 /nfs/dbraw/zinc/99/08/65/777990865.db2.gz BJXUHLJVDHFJAX-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001287795549 778009941 /nfs/dbraw/zinc/00/99/41/778009941.db2.gz UMGOGUTZUWVMIC-QMMMGPOBSA-N 0 3 274.321 -2.595 20 0 CAADHN CCCN(C)CC(=O)NC1(CNC(=O)CC(N)=O)CC1 ZINC001285914945 777992885 /nfs/dbraw/zinc/99/28/85/777992885.db2.gz SJXYCEFFIRUIOF-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN CC[C@@H](C(=O)N1CC(N(C)C(=O)CC(N)=O)C1)N(C)C ZINC001286004169 777995430 /nfs/dbraw/zinc/99/54/30/777995430.db2.gz WRNOVHNTDRNHER-JTQLQIEISA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@H](C(=O)N(C)C[C@@H](C)NC(=O)C(N)=O)N(C)C ZINC001287649738 778003658 /nfs/dbraw/zinc/00/36/58/778003658.db2.gz XBDDLTHHVRHQTL-RKDXNWHRSA-N 0 3 272.349 -1.225 20 0 CAADHN CC[C@H](C(=O)N[C@@H](C)CN(C)C(=O)C(N)=O)N(C)C ZINC001287707288 778004922 /nfs/dbraw/zinc/00/49/22/778004922.db2.gz TVSPFVUKKDAQDU-DTWKUNHWSA-N 0 3 272.349 -1.225 20 0 CAADHN CC[C@H](C(=O)N[C@H](C)CN(C)C(=O)C(N)=O)N(C)C ZINC001287707290 778004998 /nfs/dbraw/zinc/00/49/98/778004998.db2.gz TVSPFVUKKDAQDU-RKDXNWHRSA-N 0 3 272.349 -1.225 20 0 CAADHN CC(C)[C@@H](C(=O)NCCNC(=O)CC(N)=O)N(C)C ZINC001292598512 778042287 /nfs/dbraw/zinc/04/22/87/778042287.db2.gz KRYGNOXQEUSOJC-NSHDSACASA-N 0 3 272.349 -1.320 20 0 CAADHN CC[C@@H](C(=O)N[C@H](CO)CNC(=O)C(N)=O)N(C)C ZINC001287832752 778012385 /nfs/dbraw/zinc/01/23/85/778012385.db2.gz HNZDYXXSPVNFPF-YUMQZZPRSA-N 0 3 274.321 -2.595 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(N)=O)N(C)C ZINC001287832751 778012447 /nfs/dbraw/zinc/01/24/47/778012447.db2.gz HNZDYXXSPVNFPF-SFYZADRCSA-N 0 3 274.321 -2.595 20 0 CAADHN CC(=O)N[C@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC001287845626 778013018 /nfs/dbraw/zinc/01/30/18/778013018.db2.gz OLJQBKBGLCLVFQ-KOLCDFICSA-N 0 3 257.334 -1.059 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC001287951422 778015254 /nfs/dbraw/zinc/01/52/54/778015254.db2.gz RVMZJOWICHEWMS-ZJUUUORDSA-N 0 3 284.360 -1.083 20 0 CAADHN NC(=O)C(=O)NCC1=CCN(C(=O)CN2CCCC2)CC1 ZINC001288432671 778019562 /nfs/dbraw/zinc/01/95/62/778019562.db2.gz PZLPMHVOLBPGCN-UHFFFAOYSA-N 0 3 294.355 -1.158 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C1(O)COC1 ZINC001292419477 778033906 /nfs/dbraw/zinc/03/39/06/778033906.db2.gz JUBJYBQFZPRRCJ-UWVGGRQHSA-N 0 3 256.302 -1.273 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)CNC(=O)OC)N(C)C ZINC001292538912 778038170 /nfs/dbraw/zinc/03/81/70/778038170.db2.gz AEXSPXVAAZEUIB-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001292579597 778040263 /nfs/dbraw/zinc/04/02/63/778040263.db2.gz OKQXYVUDFNPOQC-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNC(=O)CC(N)=O)C1 ZINC001292598378 778041856 /nfs/dbraw/zinc/04/18/56/778041856.db2.gz IZVIGDAMAJYXLW-SECBINFHSA-N 0 3 270.333 -1.564 20 0 CAADHN CC(C)N1CCCC[C@@H]1C(=O)NCCNC(=O)C(N)=O ZINC001292737211 778046613 /nfs/dbraw/zinc/04/66/13/778046613.db2.gz RZSYAKDIDGWEKA-SNVBAGLBSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)Cn1cncn1 ZINC001292779208 778047246 /nfs/dbraw/zinc/04/72/46/778047246.db2.gz QYBFKJWEFHWONL-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCNC(=O)C(N)=O ZINC001292857236 778049240 /nfs/dbraw/zinc/04/92/40/778049240.db2.gz KMMJRSKSVWOXNG-DTORHVGOSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(C)N(C)CC(=O)NCCNC(=O)CCn1cnnn1 ZINC001292857361 778049305 /nfs/dbraw/zinc/04/93/05/778049305.db2.gz QMXDSWDMDIHDTB-UHFFFAOYSA-N 0 3 297.363 -1.364 20 0 CAADHN CC(C)[C@@H](C(=O)NCCNC(=O)[C@H]1CCNC1=O)N(C)C ZINC001292869011 778049392 /nfs/dbraw/zinc/04/93/92/778049392.db2.gz NRWMXXSPPCVUID-QWRGUYRKSA-N 0 3 298.387 -1.059 20 0 CAADHN CC(C)[C@H](C(=O)NCCNC(=O)[C@H]1CCNC1=O)N(C)C ZINC001293039981 778051650 /nfs/dbraw/zinc/05/16/50/778051650.db2.gz NRWMXXSPPCVUID-WDEREUQCSA-N 0 3 298.387 -1.059 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001293027643 778051694 /nfs/dbraw/zinc/05/16/94/778051694.db2.gz JFVDCRWAQJWKEL-VIFPVBQESA-N 0 3 294.315 -1.826 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CCC(=O)N1)N(C)C ZINC001293019180 778052351 /nfs/dbraw/zinc/05/23/51/778052351.db2.gz CILDMUVOWSGHOV-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNC(=O)c2nnn(C)n2)C1 ZINC001293048426 778054262 /nfs/dbraw/zinc/05/42/62/778054262.db2.gz BZLBLCDOAHZNTP-SECBINFHSA-N 0 3 295.347 -1.602 20 0 CAADHN CC(C)[C@@H](C(=O)NCCCNC(=O)C(N)=O)N(C)C ZINC001293469583 778060066 /nfs/dbraw/zinc/06/00/66/778060066.db2.gz RDKQPLNMSODJGF-VIFPVBQESA-N 0 3 272.349 -1.320 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001293551870 778060127 /nfs/dbraw/zinc/06/01/27/778060127.db2.gz WFYQKLZTEUVILQ-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CC[C@H](C(=O)N(C)[C@H]1CCN(C(=O)C(N)=O)C1)N(C)C ZINC001293697560 778061460 /nfs/dbraw/zinc/06/14/60/778061460.db2.gz IJIYNRMDAOSGOW-VHSXEESVSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](C)NC(=O)C(N)=O)N(C)C ZINC001295573628 778081019 /nfs/dbraw/zinc/08/10/19/778081019.db2.gz BYJDDRDEKMXBDF-SFYZADRCSA-N 0 3 258.322 -1.567 20 0 CAADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001295069157 778072271 /nfs/dbraw/zinc/07/22/71/778072271.db2.gz ONNSNSOLHQDDFM-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](NC(=O)CC(N)=O)C2)C1 ZINC001295186320 778075033 /nfs/dbraw/zinc/07/50/33/778075033.db2.gz KWPIJYZTJUXILN-GARJFASQSA-N 0 3 296.371 -1.033 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001295358455 778076108 /nfs/dbraw/zinc/07/61/08/778076108.db2.gz UFRCNBGTGUTDLJ-JZYVYDRUSA-N 0 3 282.344 -1.614 20 0 CAADHN CC(C)N1CCC[C@@H]1C(=O)NC[C@H](C)NC(=O)C(N)=O ZINC001295488889 778079839 /nfs/dbraw/zinc/07/98/39/778079839.db2.gz MBFCGPOUQMLIEA-VHSXEESVSA-N 0 3 284.360 -1.035 20 0 CAADHN CC(C)N1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C(N)=O ZINC001295488890 778080637 /nfs/dbraw/zinc/08/06/37/778080637.db2.gz MBFCGPOUQMLIEA-ZJUUUORDSA-N 0 3 284.360 -1.035 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)CC(N)=O)C1 ZINC001295743773 778085179 /nfs/dbraw/zinc/08/51/79/778085179.db2.gz MTZQZFBCHMJGOH-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(CC(=O)N1CC[C@H](CNC(=O)C(N)=O)C1)C1CCC1 ZINC001295729660 778085467 /nfs/dbraw/zinc/08/54/67/778085467.db2.gz UZRPOZYFULAZKY-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001295759105 778086559 /nfs/dbraw/zinc/08/65/59/778086559.db2.gz OHPPBGPMVUYPNJ-GHMZBOCLSA-N 0 3 296.371 -1.222 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001295759106 778087533 /nfs/dbraw/zinc/08/75/33/778087533.db2.gz OHPPBGPMVUYPNJ-MNOVXSKESA-N 0 3 296.371 -1.222 20 0 CAADHN CC[C@H](C(=O)NCCN(C)C(=O)C(N)=O)N(C)C ZINC001296161527 778092112 /nfs/dbraw/zinc/09/21/12/778092112.db2.gz QIDLOGUKFVXDNT-MRVPVSSYSA-N 0 3 258.322 -1.614 20 0 CAADHN CCN(CCNC(=O)CN1CC[C@@H](C)C1)C(=O)C(N)=O ZINC001296375975 778097140 /nfs/dbraw/zinc/09/71/40/778097140.db2.gz YNHPDIUAJLTPTN-SNVBAGLBSA-N 0 3 284.360 -1.222 20 0 CAADHN CCCN(C)CC(=O)NCCN(C(=O)C(N)=O)C1CC1 ZINC001296607652 778100074 /nfs/dbraw/zinc/10/00/74/778100074.db2.gz DFFXRXNBZSPYKC-UHFFFAOYSA-N 0 3 284.360 -1.079 20 0 CAADHN CC(C)[C@@H](C(=O)NC1CN(C(=O)CC(N)=O)C1)N(C)C ZINC001297074280 778104593 /nfs/dbraw/zinc/10/45/93/778104593.db2.gz SJNNYNXHMRXHNR-LBPRGKRZSA-N 0 3 284.360 -1.225 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(N)=O)N(C)C ZINC001298194572 778118157 /nfs/dbraw/zinc/11/81/57/778118157.db2.gz CUIZXAGOXAZOOC-SFYZADRCSA-N 0 3 274.321 -2.595 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNC(=O)C(N)=O)N(C)C ZINC001298194570 778118209 /nfs/dbraw/zinc/11/82/09/778118209.db2.gz CUIZXAGOXAZOOC-JGVFFNPUSA-N 0 3 274.321 -2.595 20 0 CAADHN CC(C)N(C)CC(=O)NC/C=C/CNC(=O)CC(N)=O ZINC001298319805 778120460 /nfs/dbraw/zinc/12/04/60/778120460.db2.gz GITSOYIDVBVVQD-SNAWJCMRSA-N 0 3 284.360 -1.009 20 0 CAADHN CC[C@H](C(=O)N[C@H](C)CNC(=O)C(N)=O)N(C)C ZINC001298633539 778122812 /nfs/dbraw/zinc/12/28/12/778122812.db2.gz BTOVGNDUFBNZFK-HTQZYQBOSA-N 0 3 258.322 -1.567 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H](CO)CN1CCCC1 ZINC001298751705 778125135 /nfs/dbraw/zinc/12/51/35/778125135.db2.gz NKQXJJYFYLBNLN-NXEZZACHSA-N 0 3 298.343 -1.453 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)N[C@H](CO)CN1CCCC1 ZINC001298751719 778125221 /nfs/dbraw/zinc/12/52/21/778125221.db2.gz NKQXJJYFYLBNLN-VHSXEESVSA-N 0 3 298.343 -1.453 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](CO)CN1CCCC1 ZINC001298751717 778125254 /nfs/dbraw/zinc/12/52/54/778125254.db2.gz NKQXJJYFYLBNLN-UWVGGRQHSA-N 0 3 298.343 -1.453 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2(CNC(=O)CC(N)=O)CC2)C1 ZINC001299135691 778129551 /nfs/dbraw/zinc/12/95/51/778129551.db2.gz APRQYVZATFKPFN-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN O=C(C[C@@H]1CC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001300147868 778131880 /nfs/dbraw/zinc/13/18/80/778131880.db2.gz RJBMXPJUJQCBRH-LPEHRKFASA-N 0 3 253.302 -1.458 20 0 CAADHN O=C(C[C@H]1CC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001300147867 778132013 /nfs/dbraw/zinc/13/20/13/778132013.db2.gz RJBMXPJUJQCBRH-KXUCPTDWSA-N 0 3 253.302 -1.458 20 0 CAADHN O=C(CCc1cnn[nH]1)N1CC(NC2COC2)C1 ZINC001304208038 778143014 /nfs/dbraw/zinc/14/30/14/778143014.db2.gz ITGVGQOGVRRDJJ-UHFFFAOYSA-N 0 3 251.290 -1.064 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC(N[C@@H]2CCOC2)C1 ZINC001304080186 778143365 /nfs/dbraw/zinc/14/33/65/778143365.db2.gz UCCUJIQHFLVZJR-PSASIEDQSA-N 0 3 253.302 -1.146 20 0 CAADHN Cn1nnnc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC001116741067 779511161 /nfs/dbraw/zinc/51/11/61/779511161.db2.gz MXHNSMIEGRHHPP-VIFPVBQESA-N 0 3 265.321 -1.784 20 0 CAADHN CNC(=O)CCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001116858013 779515101 /nfs/dbraw/zinc/51/51/01/779515101.db2.gz FWIXWDUSVURADI-LLVKDONJSA-N 0 3 254.290 -1.204 20 0 CAADHN CN(CCNC(=O)C(=O)NCC(=O)NCC1CC1)C1CC1 ZINC001117127229 779524695 /nfs/dbraw/zinc/52/46/95/779524695.db2.gz XEVUCJJZQBTJSN-UHFFFAOYSA-N 0 3 296.371 -1.161 20 0 CAADHN CON(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001117151721 779525926 /nfs/dbraw/zinc/52/59/26/779525926.db2.gz VSMCAFXBSLVZOS-NXEZZACHSA-N 0 3 271.317 -1.014 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001117287205 779528555 /nfs/dbraw/zinc/52/85/55/779528555.db2.gz HSMSMSFCDGDRRP-SECBINFHSA-N 0 3 270.333 -1.647 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCc1ncn(C)n1 ZINC001117389113 779533660 /nfs/dbraw/zinc/53/36/60/779533660.db2.gz BPHKAGCBSQUNMK-UHFFFAOYSA-N 0 3 268.321 -1.549 20 0 CAADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3cnnn3C)[C@H]2C1 ZINC001117712535 779541882 /nfs/dbraw/zinc/54/18/82/779541882.db2.gz ISOSOQMJJFJGQL-BDAKNGLRSA-N 0 3 278.316 -1.084 20 0 CAADHN O=C(N[C@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCCNCC1 ZINC001118039461 779546711 /nfs/dbraw/zinc/54/67/11/779546711.db2.gz XVAKLGYJHSXFNI-JTQLQIEISA-N 0 3 294.355 -1.312 20 0 CAADHN NC(=O)CCNCCNS(=O)(=O)Cc1ccon1 ZINC001118089313 779546948 /nfs/dbraw/zinc/54/69/48/779546948.db2.gz UOAIMURDHVNTNM-UHFFFAOYSA-N 0 3 276.318 -1.441 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001118127769 779548478 /nfs/dbraw/zinc/54/84/78/779548478.db2.gz ORLFFLVECVDVOL-SECBINFHSA-N 0 3 296.327 -1.847 20 0 CAADHN C[C@H](N)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC001118134298 779548792 /nfs/dbraw/zinc/54/87/92/779548792.db2.gz MUKGRXWCVQCUFP-CBAPKCEASA-N 0 3 251.290 -1.011 20 0 CAADHN CNS(=O)(=O)N1CCC(N2CC[C@H](O)C2)CC1 ZINC001118495752 779571995 /nfs/dbraw/zinc/57/19/95/779571995.db2.gz BGOPLICWDFRJQP-JTQLQIEISA-N 0 3 263.363 -1.018 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)NCCN1C(=O)CNC1=O ZINC001118192836 779551835 /nfs/dbraw/zinc/55/18/35/779551835.db2.gz PETZATXPKBRZCR-VIFPVBQESA-N 0 3 284.316 -1.577 20 0 CAADHN CC(=O)NCCN(C)C(=O)NC[C@@H]1CNCCO1 ZINC001118200038 779552971 /nfs/dbraw/zinc/55/29/71/779552971.db2.gz YNOMPHGLKSIHDB-JTQLQIEISA-N 0 3 258.322 -1.248 20 0 CAADHN O=C(CNC(=O)[C@H]1CNCCO1)N1CCNCC1 ZINC001118203908 779553009 /nfs/dbraw/zinc/55/30/09/779553009.db2.gz ZORRNNQSUCGCHO-SECBINFHSA-N 0 3 256.306 -2.477 20 0 CAADHN CS(=O)(=O)NCCC(=O)NC[C@@H]1CNCCO1 ZINC001118226466 779554477 /nfs/dbraw/zinc/55/44/77/779554477.db2.gz ICGSEVAVDLHLEE-QMMMGPOBSA-N 0 3 265.335 -1.970 20 0 CAADHN Cn1cc(CN[C@H](CO)CCF)c(=O)n(C)c1=O ZINC001118245466 779556900 /nfs/dbraw/zinc/55/69/00/779556900.db2.gz BRJOFBGTAKXRFG-VIFPVBQESA-N 0 3 259.281 -1.106 20 0 CAADHN CN[C@H](C(=O)NC[C@H]1CNCCO1)c1cnn(C)c1 ZINC001118264373 779557943 /nfs/dbraw/zinc/55/79/43/779557943.db2.gz FEJKIOCIZWLXMI-MNOVXSKESA-N 0 3 267.333 -1.215 20 0 CAADHN O=C(CN1CC[C@H](n2cncn2)C1)N1CCNCC1 ZINC001118263696 779558139 /nfs/dbraw/zinc/55/81/39/779558139.db2.gz KOSRLSQUHKADCB-NSHDSACASA-N 0 3 264.333 -1.043 20 0 CAADHN COC[C@@H]1C[C@@H](O)CN1C(=O)C(=O)N(C)CCN(C)C ZINC001118262258 779558295 /nfs/dbraw/zinc/55/82/95/779558295.db2.gz NTCAIDKACSBYAN-WDEREUQCSA-N 0 3 287.360 -1.385 20 0 CAADHN C[C@H]1NCCN(C(=O)c2cn(CC(N)=O)nn2)[C@@H]1C ZINC001118269641 779558995 /nfs/dbraw/zinc/55/89/95/779558995.db2.gz LGMSGJIXEDDNJA-HTQZYQBOSA-N 0 3 266.305 -1.414 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCCc1ncn(C)n1 ZINC001118270466 779559218 /nfs/dbraw/zinc/55/92/18/779559218.db2.gz FBXJAEYUBVKRDG-LBPRGKRZSA-N 0 3 296.375 -1.037 20 0 CAADHN CC(=O)N1CCN(CCNC(=O)C2(N)CC2)CC1 ZINC001118287370 779560361 /nfs/dbraw/zinc/56/03/61/779560361.db2.gz XMVDEPNNMVNSTA-UHFFFAOYSA-N 0 3 254.334 -1.242 20 0 CAADHN CS(=O)(=O)N1CCN(CCNC(=O)CN)CC1 ZINC001118284681 779560445 /nfs/dbraw/zinc/56/04/45/779560445.db2.gz PUNMWAYIVRUNFH-UHFFFAOYSA-N 0 3 264.351 -2.362 20 0 CAADHN COCCS(=O)(=O)CCCNC(CO)CO ZINC001118304149 779561790 /nfs/dbraw/zinc/56/17/90/779561790.db2.gz AEZJKAACLLTZMF-UHFFFAOYSA-N 0 3 255.336 -1.620 20 0 CAADHN CCS(=O)(=O)NCCCN[C@@]1(C(N)=O)CCOC1 ZINC001118306635 779562400 /nfs/dbraw/zinc/56/24/00/779562400.db2.gz OCNVYLMTHRPQFI-JTQLQIEISA-N 0 3 279.362 -1.450 20 0 CAADHN CCS(=O)(=O)NCCCN[C@]1(C(N)=O)CCOC1 ZINC001118306636 779562728 /nfs/dbraw/zinc/56/27/28/779562728.db2.gz OCNVYLMTHRPQFI-SNVBAGLBSA-N 0 3 279.362 -1.450 20 0 CAADHN COC[C@H]1C[C@@H](O)CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC001118349106 779566521 /nfs/dbraw/zinc/56/65/21/779566521.db2.gz SCKRGTMNCFNWCO-VXGBXAGGSA-N 0 3 299.371 -1.195 20 0 CAADHN CCON(C)C(=O)CNC(=O)C(=O)N(C)CCN(C)C ZINC001118364202 779566996 /nfs/dbraw/zinc/56/69/96/779566996.db2.gz KEWKLUQXOWNBOU-UHFFFAOYSA-N 0 3 288.348 -1.468 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC001118488533 779570992 /nfs/dbraw/zinc/57/09/92/779570992.db2.gz QEBNVTIAMCZEGO-IWSPIJDZSA-N 0 3 291.373 -1.468 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC001118488534 779571072 /nfs/dbraw/zinc/57/10/72/779571072.db2.gz QEBNVTIAMCZEGO-VGMNWLOBSA-N 0 3 291.373 -1.468 20 0 CAADHN C[C@@H](CS(C)(=O)=O)NC(=O)C1=NO[C@@H](CN)C1 ZINC001118506528 779571620 /nfs/dbraw/zinc/57/16/20/779571620.db2.gz PMJUKXAKANZSEI-NKWVEPMBSA-N 0 3 263.319 -1.361 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N[C@@H](C)CN ZINC001118489012 779571845 /nfs/dbraw/zinc/57/18/45/779571845.db2.gz ZOBUOAFDMWAJLR-RNJXMRFFSA-N 0 3 293.345 -2.622 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N[C@@H](C)CN ZINC001118489010 779572042 /nfs/dbraw/zinc/57/20/42/779572042.db2.gz ZOBUOAFDMWAJLR-BIIVOSGPSA-N 0 3 293.345 -2.622 20 0 CAADHN C[C@H]1CN(CCN2C(=O)CNC2=O)[C@@H](C)CN1CCO ZINC001118499951 779572061 /nfs/dbraw/zinc/57/20/61/779572061.db2.gz AGJKELQYCBIFEH-QWRGUYRKSA-N 0 3 284.360 -1.075 20 0 CAADHN C[C@@H]1CN(CCN2C(=O)CNC2=O)[C@H](C)CN1CCO ZINC001118499947 779572254 /nfs/dbraw/zinc/57/22/54/779572254.db2.gz AGJKELQYCBIFEH-GHMZBOCLSA-N 0 3 284.360 -1.075 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)C(=O)NCCN)CS1(=O)=O ZINC001118545909 779574238 /nfs/dbraw/zinc/57/42/38/779574238.db2.gz JMIOVMZQZKWFNB-SFYZADRCSA-N 0 3 277.346 -1.857 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCN)CS1(=O)=O ZINC001118545907 779574841 /nfs/dbraw/zinc/57/48/41/779574841.db2.gz JMIOVMZQZKWFNB-HTQZYQBOSA-N 0 3 277.346 -1.857 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1C=CCC1 ZINC001118551300 779575208 /nfs/dbraw/zinc/57/52/08/779575208.db2.gz NHTZMPFJYQXARE-UWVGGRQHSA-N 0 3 253.302 -1.074 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1C=CCC1 ZINC001118551285 779575794 /nfs/dbraw/zinc/57/57/94/779575794.db2.gz NHTZMPFJYQXARE-NXEZZACHSA-N 0 3 253.302 -1.074 20 0 CAADHN CN(C)CCN(CCOCCO)C(=O)c1ncnn1C ZINC001118600721 779579043 /nfs/dbraw/zinc/57/90/43/779579043.db2.gz NJNNXTBXXOZDKW-UHFFFAOYSA-N 0 3 285.348 -1.172 20 0 CAADHN COCC(=O)NCCC(=O)N[C@H](CO)CN(C)C ZINC001118705969 779582980 /nfs/dbraw/zinc/58/29/80/779582980.db2.gz AGORUYBPUOZCEX-VIFPVBQESA-N 0 3 261.322 -1.822 20 0 CAADHN COC(=O)CNC(=O)CN[C@H]1CCCNC(=O)C1 ZINC001119246853 779608546 /nfs/dbraw/zinc/60/85/46/779608546.db2.gz JJGABOXNMKJMJD-QMMMGPOBSA-N 0 3 257.290 -1.466 20 0 CAADHN CC(=O)NCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149084180 779603634 /nfs/dbraw/zinc/60/36/34/779603634.db2.gz WBYGOUJLPKHSLZ-NSHDSACASA-N 0 3 273.333 -1.678 20 0 CAADHN COCCNCC(=O)N1CCO[C@H](CC(N)=O)C1 ZINC001119242527 779608446 /nfs/dbraw/zinc/60/84/46/779608446.db2.gz CRGXAWFHNKRBHV-SECBINFHSA-N 0 3 259.306 -1.675 20 0 CAADHN CNC(=O)NC[C@@H]1CN(C(=O)C2(N)CC2)CCO1 ZINC001119242704 779608505 /nfs/dbraw/zinc/60/85/05/779608505.db2.gz GCITUMOGIQOYOT-MRVPVSSYSA-N 0 3 256.306 -1.366 20 0 CAADHN CN1C(=O)[C@H]2CN(CCN3C(=O)CNC3=O)C[C@H]2C1=O ZINC001119316445 779610769 /nfs/dbraw/zinc/61/07/69/779610769.db2.gz AFHHWFSONBSAFR-OCAPTIKFSA-N 0 3 280.284 -1.915 20 0 CAADHN COC(=O)[C@H](O)C1CCN(CCn2cnnn2)CC1 ZINC001119308275 779611336 /nfs/dbraw/zinc/61/13/36/779611336.db2.gz KYWSCZBBLSIHFT-SNVBAGLBSA-N 0 3 269.305 -1.081 20 0 CAADHN O=C(C[C@H]1CNCCO1)NCCN1CCNC1=O ZINC001119321906 779612397 /nfs/dbraw/zinc/61/23/97/779612397.db2.gz FXHBPDIBZWCDGC-VIFPVBQESA-N 0 3 256.306 -1.494 20 0 CAADHN CC(C)(F)CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC001119424567 779614123 /nfs/dbraw/zinc/61/41/23/779614123.db2.gz YWNHHDNPUYOSDC-MRVPVSSYSA-N 0 3 261.297 -1.045 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCCNC(=O)C1 ZINC001119423388 779614253 /nfs/dbraw/zinc/61/42/53/779614253.db2.gz NIOVOPCJDQQKGQ-SECBINFHSA-N 0 3 284.316 -2.561 20 0 CAADHN CCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1=O ZINC001119424578 779614507 /nfs/dbraw/zinc/61/45/07/779614507.db2.gz ZEWXCEYBUOXLTI-ZJUUUORDSA-N 0 3 298.343 -2.172 20 0 CAADHN COCC(=O)NCCC(=O)NCCN(C)CCO ZINC001119525310 779615461 /nfs/dbraw/zinc/61/54/61/779615461.db2.gz VFCUBUGKQNIQMA-UHFFFAOYSA-N 0 3 261.322 -1.821 20 0 CAADHN O=C(CCc1cnc[nH]1)NC[C@@]1(CO)COCCN1 ZINC001119595646 779618982 /nfs/dbraw/zinc/61/89/82/779618982.db2.gz DMNRLDMBIIAXJP-GFCCVEGCSA-N 0 3 268.317 -1.191 20 0 CAADHN Cn1nnc(C(=O)NCCCN2CCN(C)CC2)n1 ZINC001119594441 779618988 /nfs/dbraw/zinc/61/89/88/779618988.db2.gz VFFLKNLLFJBCJK-UHFFFAOYSA-N 0 3 267.337 -1.423 20 0 CAADHN CN(CCNC(=O)C[C@H]1CCC(=O)N1)CCOCCO ZINC001119612673 779619488 /nfs/dbraw/zinc/61/94/88/779619488.db2.gz NOJSWRCXFPZULB-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN O=S(=O)(c1c[nH]cn1)N1CCNCCNCC1 ZINC001119617110 779619914 /nfs/dbraw/zinc/61/99/14/779619914.db2.gz IUMUHNBGFJBELE-UHFFFAOYSA-N 0 3 259.335 -1.407 20 0 CAADHN CN1CCN(CCCCN2C(=O)N[C@H](CO)C2=O)CC1 ZINC001119626657 779620132 /nfs/dbraw/zinc/62/01/32/779620132.db2.gz CKKUSHAUCIWURB-LLVKDONJSA-N 0 3 284.360 -1.073 20 0 CAADHN COC(=O)C1(NS(=O)(=O)N2CCNCC2)CC1 ZINC001119684499 779623643 /nfs/dbraw/zinc/62/36/43/779623643.db2.gz ZJKCBZMJPDFMFZ-UHFFFAOYSA-N 0 3 263.319 -1.568 20 0 CAADHN CN(CCNC(=O)C(=O)NCC[C@@H]1CNC(=O)C1)C1CC1 ZINC001119717769 779624581 /nfs/dbraw/zinc/62/45/81/779624581.db2.gz KEKWUEXLNPGMRW-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C[C@@H]1CCOC1)C(=O)C(=O)N1CCNCCNCC1 ZINC001119703422 779624736 /nfs/dbraw/zinc/62/47/36/779624736.db2.gz QLVWEFWYZOCSSV-LBPRGKRZSA-N 0 3 298.387 -1.497 20 0 CAADHN CC[C@]1(O)CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001119703654 779624889 /nfs/dbraw/zinc/62/48/89/779624889.db2.gz UKHSBSBGCQVAEG-AWEZNQCLSA-N 0 3 298.387 -1.619 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CCCc2nnnn2C)C1=O ZINC001120000748 779631393 /nfs/dbraw/zinc/63/13/93/779631393.db2.gz DJSWHUAZSMEXQA-MRVPVSSYSA-N 0 3 281.320 -1.375 20 0 CAADHN C[C@@H]1[C@@H](NCc2cn(CC(N)=O)nn2)CCN1C ZINC001120046710 779631411 /nfs/dbraw/zinc/63/14/11/779631411.db2.gz LNWCDOIUXKVSKU-SCZZXKLOSA-N 0 3 252.322 -1.054 20 0 CAADHN C[C@H]1C[C@@H]1CNC(=O)C(=O)N1CCNCCNCC1 ZINC001120427728 779636637 /nfs/dbraw/zinc/63/66/37/779636637.db2.gz QOLUOTOFWSYOJE-WDEREUQCSA-N 0 3 268.361 -1.220 20 0 CAADHN CC1CC(NC(=O)C(=O)N2CCNCCNCC2)C1 ZINC001120420803 779636834 /nfs/dbraw/zinc/63/68/34/779636834.db2.gz OKNXPPFPZNRQEQ-UHFFFAOYSA-N 0 3 268.361 -1.078 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCCN1C(=O)CSC1=O ZINC001120462871 779638636 /nfs/dbraw/zinc/63/86/36/779638636.db2.gz VTYLOBGALWLBOW-MRVPVSSYSA-N 0 3 286.357 -1.298 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)CCOC ZINC001122393408 779667757 /nfs/dbraw/zinc/66/77/57/779667757.db2.gz DSMIVXOQIWERLA-UHFFFAOYSA-N 0 3 274.321 -1.426 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCNC(=O)C2)[C@@H](C)CN1 ZINC001121931623 779652914 /nfs/dbraw/zinc/65/29/14/779652914.db2.gz PJHXOFPZGKSZHA-UWVGGRQHSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)[C@H](C)CN1 ZINC001121931622 779653125 /nfs/dbraw/zinc/65/31/25/779653125.db2.gz PJHXOFPZGKSZHA-NXEZZACHSA-N 0 3 254.334 -1.373 20 0 CAADHN CN1C[C@H](C(=O)N2CCNC(C)(C)C2)NCC1=O ZINC001121946552 779653762 /nfs/dbraw/zinc/65/37/62/779653762.db2.gz VEHLZBCAYNTPNU-SECBINFHSA-N 0 3 254.334 -1.373 20 0 CAADHN COC(=O)NCCC(=O)N[C@H]1COC2(CNC2)C1 ZINC001122063533 779656157 /nfs/dbraw/zinc/65/61/57/779656157.db2.gz MIYNVSGPDCMBGM-MRVPVSSYSA-N 0 3 257.290 -1.020 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H]1COC2(CNC2)C1 ZINC001122062957 779656538 /nfs/dbraw/zinc/65/65/38/779656538.db2.gz GXTDIYFJEWUFPN-SSDOTTSWSA-N 0 3 263.319 -2.217 20 0 CAADHN Cn1cnn(CC(=O)N[C@H]2COC3(CNC3)C2)c1=O ZINC001122064061 779656741 /nfs/dbraw/zinc/65/67/41/779656741.db2.gz RWWYJBZPRWFZKH-MRVPVSSYSA-N 0 3 267.289 -2.171 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001122104445 779658598 /nfs/dbraw/zinc/65/85/98/779658598.db2.gz ZAAXUQIBELJCQN-QCZZGDTMSA-N 0 3 294.355 -1.599 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001122104444 779658891 /nfs/dbraw/zinc/65/88/91/779658891.db2.gz ZAAXUQIBELJCQN-OWYVNGRQSA-N 0 3 294.355 -1.599 20 0 CAADHN N[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)CC[C@H]1F ZINC001122155380 779659717 /nfs/dbraw/zinc/65/97/17/779659717.db2.gz HYWASIJTXCNXQI-BWZBUEFSSA-N 0 3 257.265 -1.063 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCNCC(=O)NC1CC1 ZINC001149094433 779660960 /nfs/dbraw/zinc/66/09/60/779660960.db2.gz KEYUPCPZVGJFSK-SNVBAGLBSA-N 0 3 299.375 -1.192 20 0 CAADHN O=C(CCn1cc[n-]c(=O)c1=O)N1CCNCC[NH2+]CC1 ZINC001122204349 779661088 /nfs/dbraw/zinc/66/10/88/779661088.db2.gz CHOWCKQFGRRASN-UHFFFAOYSA-N 0 3 295.343 -2.052 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCc2c(=O)[nH]n(C)c2C1 ZINC001122257238 779663290 /nfs/dbraw/zinc/66/32/90/779663290.db2.gz JDOFLDVVOMBJBA-VIFPVBQESA-N 0 3 254.290 -1.016 20 0 CAADHN COCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001122317204 779663786 /nfs/dbraw/zinc/66/37/86/779663786.db2.gz SYCAPFYHWLPAOY-JTQLQIEISA-N 0 3 273.333 -1.366 20 0 CAADHN COCC(=O)NCCNCC(=O)N1CCOC[C@@H]1C1CC1 ZINC001122323648 779664146 /nfs/dbraw/zinc/66/41/46/779664146.db2.gz QYPBRGUVWZNIAM-GFCCVEGCSA-N 0 3 299.371 -1.024 20 0 CAADHN COCC(=O)NCCNCC(=O)NC(=O)NCC(C)C ZINC001122330355 779664192 /nfs/dbraw/zinc/66/41/92/779664192.db2.gz LEFSDJAAPCQANC-UHFFFAOYSA-N 0 3 288.348 -1.180 20 0 CAADHN COCC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001122322822 779664231 /nfs/dbraw/zinc/66/42/31/779664231.db2.gz IHZPKNDUHZSIJR-UHFFFAOYSA-N 0 3 267.351 -1.770 20 0 CAADHN COCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001122317084 779664491 /nfs/dbraw/zinc/66/44/91/779664491.db2.gz RKBMHARNJMBBLD-UHFFFAOYSA-N 0 3 259.306 -1.803 20 0 CAADHN CCCNC(=O)NC(=O)CNCCNC(=O)COC ZINC001122316638 779664515 /nfs/dbraw/zinc/66/45/15/779664515.db2.gz LNHNIOMRTFVWOU-UHFFFAOYSA-N 0 3 274.321 -1.426 20 0 CAADHN COCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001122331662 779665103 /nfs/dbraw/zinc/66/51/03/779665103.db2.gz YAHZCOINBHVVEC-SNVBAGLBSA-N 0 3 273.333 -1.509 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@H]1CNCCN1C ZINC001122338344 779665370 /nfs/dbraw/zinc/66/53/70/779665370.db2.gz HGDWEOBVYFQYOT-KXUCPTDWSA-N 0 3 255.318 -1.042 20 0 CAADHN COCC(=O)NCCNCC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC001122337933 779665670 /nfs/dbraw/zinc/66/56/70/779665670.db2.gz ULWDHOBIEBCADT-PHIMTYICSA-N 0 3 287.360 -1.026 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1C(=O)OC ZINC001122344610 779665743 /nfs/dbraw/zinc/66/57/43/779665743.db2.gz JVTQNZJJAKQMLS-BWZBUEFSSA-N 0 3 258.274 -1.246 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)COC ZINC001122338063 779665751 /nfs/dbraw/zinc/66/57/51/779665751.db2.gz WDYDRNPKYKMSSR-ZETCQYMHSA-N 0 3 260.294 -1.817 20 0 CAADHN COC[C@@H]1COCCN1C(=O)[C@@H]1CNCCN1C ZINC001122343574 779665780 /nfs/dbraw/zinc/66/57/80/779665780.db2.gz UWMUNVRQEVYOOH-MNOVXSKESA-N 0 3 257.334 -1.236 20 0 CAADHN COCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001122331660 779665789 /nfs/dbraw/zinc/66/57/89/779665789.db2.gz YAHZCOINBHVVEC-JTQLQIEISA-N 0 3 273.333 -1.509 20 0 CAADHN O=C(CNCCNC(=O)C(F)F)NC(=O)NC1CC1 ZINC001122400841 779667534 /nfs/dbraw/zinc/66/75/34/779667534.db2.gz XZRLANHKFXNBFF-UHFFFAOYSA-N 0 3 278.259 -1.055 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)C1CC1 ZINC001122432400 779667633 /nfs/dbraw/zinc/66/76/33/779667633.db2.gz TZMCUFMPLVBUOO-UHFFFAOYSA-N 0 3 256.306 -1.052 20 0 CAADHN C[C@H](NCCNC(=O)C(F)F)C(=O)NC(N)=O ZINC001122424163 779667826 /nfs/dbraw/zinc/66/78/26/779667826.db2.gz KLPXZHXNQZUXLJ-BYPYZUCNSA-N 0 3 252.221 -1.459 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C(F)F ZINC001122399494 779668000 /nfs/dbraw/zinc/66/80/00/779668000.db2.gz HDBRBOJHUUDLQQ-UHFFFAOYSA-N 0 3 252.221 -1.587 20 0 CAADHN COCCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001122418148 779668122 /nfs/dbraw/zinc/66/81/22/779668122.db2.gz XYSOMQIANUJYSF-SSDOTTSWSA-N 0 3 260.294 -1.688 20 0 CAADHN NC(=O)C1CCN(C(=O)CNCCNC(=O)C2CC2)CC1 ZINC001122443307 779668798 /nfs/dbraw/zinc/66/87/98/779668798.db2.gz LOZAOBUDEAWICQ-UHFFFAOYSA-N 0 3 296.371 -1.174 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1CCOCC1 ZINC001122497864 779670743 /nfs/dbraw/zinc/67/07/43/779670743.db2.gz PSDZOASOCQRVGN-UHFFFAOYSA-N 0 3 272.305 -1.686 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)C1CCOCC1 ZINC001122498270 779671139 /nfs/dbraw/zinc/67/11/39/779671139.db2.gz VXZKHBMOWWRCCB-SNVBAGLBSA-N 0 3 283.328 -1.076 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001122668228 779673169 /nfs/dbraw/zinc/67/31/69/779673169.db2.gz WMYYICMWJTZFCH-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)NC(N)=O ZINC001122668299 779673186 /nfs/dbraw/zinc/67/31/86/779673186.db2.gz ZTCDHKHZMBWJEB-UHFFFAOYSA-N 0 3 259.266 -2.977 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)N[C@@H](C)C(C)C ZINC001122667400 779673213 /nfs/dbraw/zinc/67/32/13/779673213.db2.gz DAQMAEMYAOUGTG-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)CNC(C)=O ZINC001122667334 779673326 /nfs/dbraw/zinc/67/33/26/779673326.db2.gz AUSVWXCGXYYLLI-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CNC(C)=O ZINC001122667573 779673687 /nfs/dbraw/zinc/67/36/87/779673687.db2.gz GWEAMURUMTZJCD-UHFFFAOYSA-N 0 3 273.293 -2.716 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)N[C@H](C)C(C)C ZINC001122667401 779673707 /nfs/dbraw/zinc/67/37/07/779673707.db2.gz DAQMAEMYAOUGTG-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)CNC(C)=O ZINC001122667756 779673726 /nfs/dbraw/zinc/67/37/26/779673726.db2.gz KQINFIQFTFOLKY-UHFFFAOYSA-N 0 3 288.348 -2.019 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)NCc1ccco1 ZINC001122667982 779673731 /nfs/dbraw/zinc/67/37/31/779673731.db2.gz QEQOGRHCVNRFEK-UHFFFAOYSA-N 0 3 296.327 -1.262 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CNC(C)=O ZINC001122667593 779673742 /nfs/dbraw/zinc/67/37/42/779673742.db2.gz HYHVWEFBMBBANZ-UHFFFAOYSA-N 0 3 258.322 -1.646 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)NC(C)C ZINC001122668170 779673759 /nfs/dbraw/zinc/67/37/59/779673759.db2.gz VDDDIKHTOYXSMQ-UHFFFAOYSA-N 0 3 258.322 -1.647 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CNC(C)=O)C1=O ZINC001122675156 779673769 /nfs/dbraw/zinc/67/37/69/779673769.db2.gz JJPLFSOSKSZLCJ-SNVBAGLBSA-N 0 3 270.333 -1.551 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001122667383 779673840 /nfs/dbraw/zinc/67/38/40/779673840.db2.gz CIXJXPVWNZQOQB-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CNC(C)=O)C1=O ZINC001122675155 779673869 /nfs/dbraw/zinc/67/38/69/779673869.db2.gz JJPLFSOSKSZLCJ-JTQLQIEISA-N 0 3 270.333 -1.551 20 0 CAADHN CC(=O)NCC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001122675549 779674661 /nfs/dbraw/zinc/67/46/61/779674661.db2.gz UVYAZXGUJOLOPU-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001122675434 779674407 /nfs/dbraw/zinc/67/44/07/779674407.db2.gz RDKTXEMEIGOSTJ-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001122680629 779674510 /nfs/dbraw/zinc/67/45/10/779674510.db2.gz WXKWEBCAMMMQKN-VIFPVBQESA-N 0 3 256.306 -1.941 20 0 CAADHN CCCC[C@H](NCCNC(=O)CNC(C)=O)C(N)=O ZINC001122679904 779674703 /nfs/dbraw/zinc/67/47/03/779674703.db2.gz OFMUWCRSCOTNAC-JTQLQIEISA-N 0 3 272.349 -1.128 20 0 CAADHN CCN(C(=O)CNCCNC(=O)CNC(C)=O)C1CC1 ZINC001122679915 779674801 /nfs/dbraw/zinc/67/48/01/779674801.db2.gz OUMDTMAYNQLESQ-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001122675503 779674869 /nfs/dbraw/zinc/67/48/69/779674869.db2.gz UHHLUOLIFREMOZ-MRVPVSSYSA-N 0 3 270.289 -2.367 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@H]1CCN(C(C)C)C1=O ZINC001122679109 779674958 /nfs/dbraw/zinc/67/49/58/779674958.db2.gz GBRZCBQZLLJQBT-NSHDSACASA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnccn1 ZINC001122827415 779675419 /nfs/dbraw/zinc/67/54/19/779675419.db2.gz RZUBBFIZGWXBQW-UHFFFAOYSA-N 0 3 280.288 -1.748 20 0 CAADHN Cc1cnc(C(=O)NCCN[C@@H](C)C(N)=O)cn1 ZINC001122921600 779675440 /nfs/dbraw/zinc/67/54/40/779675440.db2.gz HEDNWFPWTYEZPG-QMMMGPOBSA-N 0 3 251.290 -1.022 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1cnccn1 ZINC001122832578 779675499 /nfs/dbraw/zinc/67/54/99/779675499.db2.gz CSFANKBGLHNVNQ-UHFFFAOYSA-N 0 3 287.345 -1.655 20 0 CAADHN Cc1cnc(C(=O)NCCN[C@@H]2CCNC2=O)cn1 ZINC001122921501 779675556 /nfs/dbraw/zinc/67/55/56/779675556.db2.gz BXHJSTPOOBDHDL-SECBINFHSA-N 0 3 263.301 -1.007 20 0 CAADHN C[C@H]1C[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001122939296 779675611 /nfs/dbraw/zinc/67/56/11/779675611.db2.gz OXJCKBSUKVUDDF-DTWKUNHWSA-N 0 3 263.363 -1.103 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cnccn1 ZINC001122825987 779675665 /nfs/dbraw/zinc/67/56/65/779675665.db2.gz CRDXUXGGZVMXLQ-UHFFFAOYSA-N 0 3 294.315 -1.358 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cnccn1 ZINC001122840439 779675730 /nfs/dbraw/zinc/67/57/30/779675730.db2.gz MRONFNXDPRZHPF-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001122939299 779675753 /nfs/dbraw/zinc/67/57/53/779675753.db2.gz OXJCKBSUKVUDDF-RKDXNWHRSA-N 0 3 263.363 -1.103 20 0 CAADHN O=C(CNCCNC(=O)c1cnccn1)N1CCOCC1 ZINC001122828029 779675925 /nfs/dbraw/zinc/67/59/25/779675925.db2.gz XXXOTFQPQSJICH-UHFFFAOYSA-N 0 3 293.327 -1.345 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cnccn1 ZINC001122828001 779676051 /nfs/dbraw/zinc/67/60/51/779676051.db2.gz WOWDTEMMYYOFOU-MRVPVSSYSA-N 0 3 277.284 -1.399 20 0 CAADHN CCOCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001122977352 779676622 /nfs/dbraw/zinc/67/66/22/779676622.db2.gz DHLFMQANJKEGAE-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)COCC ZINC001123014219 779676656 /nfs/dbraw/zinc/67/66/56/779676656.db2.gz KJJLLLOILAZQPA-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)C1=COCCO1 ZINC001123026306 779676709 /nfs/dbraw/zinc/67/67/09/779676709.db2.gz HHCCCANMCFNHKL-QMMMGPOBSA-N 0 3 255.274 -1.531 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)C1=COCCO1 ZINC001123026236 779676754 /nfs/dbraw/zinc/67/67/54/779676754.db2.gz DPYGRJDOYUFNJM-VIFPVBQESA-N 0 3 269.301 -1.141 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)C1=COCCO1 ZINC001123026244 779676761 /nfs/dbraw/zinc/67/67/61/779676761.db2.gz DYPCUSIJCATMEW-QMMMGPOBSA-N 0 3 283.284 -1.614 20 0 CAADHN CCOCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001122984834 779676806 /nfs/dbraw/zinc/67/68/06/779676806.db2.gz SIRKHFQJTSZXTG-UHFFFAOYSA-N 0 3 298.343 -1.674 20 0 CAADHN CCOCC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001122978650 779676872 /nfs/dbraw/zinc/67/68/72/779676872.db2.gz MTWVVHNIGKSKBP-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CCOCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001122984842 779676920 /nfs/dbraw/zinc/67/69/20/779676920.db2.gz SSXLBPXESRLEGR-SSDOTTSWSA-N 0 3 260.294 -1.688 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)C1=COCCO1 ZINC001123026305 779677090 /nfs/dbraw/zinc/67/70/90/779677090.db2.gz HHCCCANMCFNHKL-MRVPVSSYSA-N 0 3 255.274 -1.531 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)COCC ZINC001123014224 779677268 /nfs/dbraw/zinc/67/72/68/779677268.db2.gz KJJLLLOILAZQPA-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CSCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001123179287 779682344 /nfs/dbraw/zinc/68/23/44/779682344.db2.gz UMFSWFJRNLMBAV-ZCFIWIBFSA-N 0 3 262.335 -1.361 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCO1 ZINC001123127554 779680424 /nfs/dbraw/zinc/68/04/24/779680424.db2.gz NUMAXKUAMCKVFU-ZETCQYMHSA-N 0 3 258.278 -1.934 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)CSC ZINC001123166808 779680433 /nfs/dbraw/zinc/68/04/33/779680433.db2.gz VOISPCWLXIXGMT-UHFFFAOYSA-N 0 3 276.362 -1.099 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCCO1)N1CCOCC1 ZINC001123142891 779680439 /nfs/dbraw/zinc/68/04/39/779680439.db2.gz BASOAXWGTRLRQV-LLVKDONJSA-N 0 3 285.344 -1.270 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1ccc(=O)[nH]n1 ZINC001123095033 779680515 /nfs/dbraw/zinc/68/05/15/779680515.db2.gz BGLCIFMEMBBBMM-ZETCQYMHSA-N 0 3 293.283 -1.693 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001123095105 779680524 /nfs/dbraw/zinc/68/05/24/779680524.db2.gz DWPDJQGFYVAYSI-SECBINFHSA-N 0 3 279.300 -1.268 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCO1 ZINC001123158226 779680563 /nfs/dbraw/zinc/68/05/63/779680563.db2.gz LAWYRHZDKRLMLU-RKDXNWHRSA-N 0 3 286.332 -1.285 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCO1 ZINC001123127553 779680611 /nfs/dbraw/zinc/68/06/11/779680611.db2.gz NUMAXKUAMCKVFU-SSDOTTSWSA-N 0 3 258.278 -1.934 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CSC ZINC001123166124 779680657 /nfs/dbraw/zinc/68/06/57/779680657.db2.gz KLCALVSGRUSRDJ-UHFFFAOYSA-N 0 3 262.335 -1.489 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001123091544 779680668 /nfs/dbraw/zinc/68/06/68/779680668.db2.gz RKDAMILMYQZNSJ-RNFRBKRXSA-N 0 3 287.320 -2.200 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(=O)[nH]n1)C(=O)N(C)C ZINC001123096510 779680726 /nfs/dbraw/zinc/68/07/26/779680726.db2.gz SZGWIIIEMRRATH-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(=O)[nH]n1)C(=O)N(C)C ZINC001123096508 779680958 /nfs/dbraw/zinc/68/09/58/779680958.db2.gz SZGWIIIEMRRATH-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCCO1)NC(=O)NC1CC1 ZINC001123151141 779680993 /nfs/dbraw/zinc/68/09/93/779680993.db2.gz KVTULBVDKLWUTC-JTQLQIEISA-N 0 3 298.343 -1.141 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1CCCO1 ZINC001123119310 779681003 /nfs/dbraw/zinc/68/10/03/779681003.db2.gz XEDACRUWURHTNC-IUCAKERBSA-N 0 3 269.301 -1.324 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1ccc(=O)[nH]n1 ZINC001123095032 779681075 /nfs/dbraw/zinc/68/10/75/779681075.db2.gz BGLCIFMEMBBBMM-SSDOTTSWSA-N 0 3 293.283 -1.693 20 0 CAADHN CN(CCNCCNC(=O)[C@@H]1CCCO1)S(C)(=O)=O ZINC001123118784 779681102 /nfs/dbraw/zinc/68/11/02/779681102.db2.gz SXQKONUTQDNJNO-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001123092504 779681112 /nfs/dbraw/zinc/68/11/12/779681112.db2.gz YVOSWMZSNYNAEQ-IUCAKERBSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCO1)C(=O)NC(N)=O ZINC001123157759 779681140 /nfs/dbraw/zinc/68/11/40/779681140.db2.gz HOVDUWSNJXCFOG-SFYZADRCSA-N 0 3 272.305 -1.545 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCO1 ZINC001123158224 779681153 /nfs/dbraw/zinc/68/11/53/779681153.db2.gz LAWYRHZDKRLMLU-IUCAKERBSA-N 0 3 286.332 -1.285 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(=O)[nH]n1 ZINC001123092562 779681271 /nfs/dbraw/zinc/68/12/71/779681271.db2.gz ZXFLJCRBBOAKRQ-UHFFFAOYSA-N 0 3 253.262 -1.752 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(=O)[nH]n1)C(=O)NC(N)=O ZINC001123104642 779681299 /nfs/dbraw/zinc/68/12/99/779681299.db2.gz YYXONEMSEHGVLD-ZCFIWIBFSA-N 0 3 296.287 -1.915 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)CNC(N)=O)C1=O ZINC001123236300 779681708 /nfs/dbraw/zinc/68/17/08/779681708.db2.gz ZKNISYMBQDUVHE-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cc(C)on1 ZINC001123186657 779681724 /nfs/dbraw/zinc/68/17/24/779681724.db2.gz HDHYUTRPJRAZII-UHFFFAOYSA-N 0 3 283.288 -1.242 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)CNC(N)=O ZINC001123235080 779681838 /nfs/dbraw/zinc/68/18/38/779681838.db2.gz FQMLWVANXPQHBY-UHFFFAOYSA-N 0 3 289.336 -2.487 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)no1 ZINC001123223591 779682142 /nfs/dbraw/zinc/68/21/42/779682142.db2.gz GWNCSZCAKBPBRZ-SSDOTTSWSA-N 0 3 283.288 -1.114 20 0 CAADHN CC(C)[C@H](C)NC(=O)CNCCNC(=O)CNC(N)=O ZINC001123234790 779682307 /nfs/dbraw/zinc/68/23/07/779682307.db2.gz AUHDBATXXRFRFS-VIFPVBQESA-N 0 3 287.364 -1.479 20 0 CAADHN CC(C)(C)CNC(=O)CNCCNC(=O)CNC(N)=O ZINC001123241212 779682335 /nfs/dbraw/zinc/68/23/35/779682335.db2.gz AWQRWKTUPMMJDQ-UHFFFAOYSA-N 0 3 287.364 -1.477 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001123235157 779682415 /nfs/dbraw/zinc/68/24/15/779682415.db2.gz JDPWNAQYALHVDB-UHFFFAOYSA-N 0 3 285.348 -1.581 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)NC1CC1 ZINC001123234844 779682462 /nfs/dbraw/zinc/68/24/62/779682462.db2.gz DCRSVEWXPCWACJ-UHFFFAOYSA-N 0 3 257.294 -2.361 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)no1 ZINC001123223596 779682540 /nfs/dbraw/zinc/68/25/40/779682540.db2.gz GWNCSZCAKBPBRZ-ZETCQYMHSA-N 0 3 283.288 -1.114 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)CNC(N)=O)C1=O ZINC001123236298 779682564 /nfs/dbraw/zinc/68/25/64/779682564.db2.gz ZKNISYMBQDUVHE-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN NC(=O)NCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001123235731 779682580 /nfs/dbraw/zinc/68/25/80/779682580.db2.gz QFGVDARWCPZSSJ-LURJTMIESA-N 0 3 271.277 -2.834 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CNC(N)=O)C1=O ZINC001123241696 779683019 /nfs/dbraw/zinc/68/30/19/779683019.db2.gz GFWRHMKLXHMAGO-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN CC(C)(C)N1CC[C@@H](NCCNC(=O)CNC(N)=O)C1=O ZINC001123241679 779683177 /nfs/dbraw/zinc/68/31/77/779683177.db2.gz FVFVGBAZYRWQED-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(C)(C)N1CC[C@H](NCCNC(=O)CNC(N)=O)C1=O ZINC001123241680 779683625 /nfs/dbraw/zinc/68/36/25/779683625.db2.gz FVFVGBAZYRWQED-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001123256901 779683631 /nfs/dbraw/zinc/68/36/31/779683631.db2.gz AUGWVCAZEWXIJN-UHFFFAOYSA-N 0 3 285.348 -1.723 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CNC(N)=O)C1=O ZINC001123241724 779683644 /nfs/dbraw/zinc/68/36/44/779683644.db2.gz ICYMRGWVONZVKZ-SSDOTTSWSA-N 0 3 257.294 -2.409 20 0 CAADHN NC(=O)NCC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001123243268 779683686 /nfs/dbraw/zinc/68/36/86/779683686.db2.gz ZPPNVPKKSBNPET-SNVBAGLBSA-N 0 3 297.359 -1.486 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)CNC(N)=O ZINC001123242098 779683734 /nfs/dbraw/zinc/68/37/34/779683734.db2.gz NDHLRPQXIWUXOV-UHFFFAOYSA-N 0 3 273.337 -1.867 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)CNC(N)=O)C1=O ZINC001123257976 779684423 /nfs/dbraw/zinc/68/44/23/779684423.db2.gz LFAKCRVKVCUTGM-VIFPVBQESA-N 0 3 285.348 -1.630 20 0 CAADHN CC1CCN(C(=O)CNCCNC(=O)CNC(N)=O)CC1 ZINC001123258272 779684504 /nfs/dbraw/zinc/68/45/04/779684504.db2.gz OPVSTULWZODPOA-UHFFFAOYSA-N 0 3 299.375 -1.381 20 0 CAADHN C[C@H](NCCNC(=O)CNC(N)=O)C(=O)NC1CC1 ZINC001123264471 779684524 /nfs/dbraw/zinc/68/45/24/779684524.db2.gz ZMUBZRQWNQQGEK-ZETCQYMHSA-N 0 3 271.321 -1.972 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)CNC(N)=O ZINC001123257458 779685110 /nfs/dbraw/zinc/68/51/10/779685110.db2.gz IAGBPLMJUPUGFY-UHFFFAOYSA-N 0 3 273.337 -1.725 20 0 CAADHN C[C@H](NCCNC(=O)CNC(N)=O)C(=O)NC1CCCC1 ZINC001123263863 779684554 /nfs/dbraw/zinc/68/45/54/779684554.db2.gz QDUGWSCFQSTMJD-VIFPVBQESA-N 0 3 299.375 -1.192 20 0 CAADHN CCN(CC)C(=O)[C@@H](C)NCCNC(=O)CNC(N)=O ZINC001123262699 779684668 /nfs/dbraw/zinc/68/46/68/779684668.db2.gz DLFWRYVHXSDUSR-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(N)=O)C(=O)N1CCCCC1 ZINC001123259053 779684854 /nfs/dbraw/zinc/68/48/54/779684854.db2.gz ZBUDRVDXJGZPSM-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001123258172 779684864 /nfs/dbraw/zinc/68/48/64/779684864.db2.gz NQWCSAJXTFSJHL-UHFFFAOYSA-N 0 3 285.348 -1.627 20 0 CAADHN CCCCNC(=O)[C@@H](C)NCCNC(=O)CNC(N)=O ZINC001123264173 779684918 /nfs/dbraw/zinc/68/49/18/779684918.db2.gz TVDHVOCOIKXRAV-SECBINFHSA-N 0 3 287.364 -1.335 20 0 CAADHN CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)CNC(N)=O ZINC001123263910 779684985 /nfs/dbraw/zinc/68/49/85/779684985.db2.gz QZIJJRUPWHAJEH-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(N)=O)C(=O)NC(C)(C)C ZINC001123262617 779685033 /nfs/dbraw/zinc/68/50/33/779685033.db2.gz ACKWBYMBHUJTLA-MRVPVSSYSA-N 0 3 287.364 -1.336 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CNC(N)=O ZINC001123257431 779685098 /nfs/dbraw/zinc/68/50/98/779685098.db2.gz HGAZKVUDZRKINV-UHFFFAOYSA-N 0 3 259.310 -2.161 20 0 CAADHN C[C@H]1CCCCN1C(=O)CNCCNC(=O)CNC(N)=O ZINC001123258825 779685163 /nfs/dbraw/zinc/68/51/63/779685163.db2.gz UVCZQEDPLYTUML-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN Cn1nccc1CNCCNC(=O)Cn1cnnn1 ZINC001123306682 779685494 /nfs/dbraw/zinc/68/54/94/779685494.db2.gz XHBRSRYEJRYWBG-UHFFFAOYSA-N 0 3 264.293 -1.687 20 0 CAADHN O=C(Cn1cnnn1)NCCNCC(=O)N1CCOCC1 ZINC001123313723 779685548 /nfs/dbraw/zinc/68/55/48/779685548.db2.gz WQQFMAQGPSUNCX-UHFFFAOYSA-N 0 3 297.319 -2.762 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)Cn2cnnn2)C1=O ZINC001123312230 779685727 /nfs/dbraw/zinc/68/57/27/779685727.db2.gz BCWUFXAYPIEIRH-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123304777 779685764 /nfs/dbraw/zinc/68/57/64/779685764.db2.gz KTYNBZILZPTODC-UHFFFAOYSA-N 0 3 283.336 -1.706 20 0 CAADHN O=C(Cn1cnnn1)NCCNCC(=O)N1CCCCC1 ZINC001123306058 779685884 /nfs/dbraw/zinc/68/58/84/779685884.db2.gz TWHXHYDTHDPYKJ-UHFFFAOYSA-N 0 3 295.347 -1.609 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123304182 779685999 /nfs/dbraw/zinc/68/59/99/779685999.db2.gz FSAONWATYUZBGQ-UHFFFAOYSA-N 0 3 269.309 -2.143 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123304762 779686015 /nfs/dbraw/zinc/68/60/15/779686015.db2.gz KNBIGAUQJQQLDQ-UHFFFAOYSA-N 0 3 299.335 -2.468 20 0 CAADHN O=C(CNCCNC(=O)Cn1cnnn1)NCC1CC1 ZINC001123305030 779686071 /nfs/dbraw/zinc/68/60/71/779686071.db2.gz MBPVCKPRHOSTST-UHFFFAOYSA-N 0 3 281.320 -2.095 20 0 CAADHN COc1cc(CNCCNC(=O)Cn2cnnn2)ccn1 ZINC001123304488 779686250 /nfs/dbraw/zinc/68/62/50/779686250.db2.gz JFZGPBYDBHDVOE-UHFFFAOYSA-N 0 3 291.315 -1.017 20 0 CAADHN Cn1cncc1CNCCNC(=O)Cn1cnnn1 ZINC001123305028 779686258 /nfs/dbraw/zinc/68/62/58/779686258.db2.gz LWCFMYYXHKTQJH-UHFFFAOYSA-N 0 3 264.293 -1.687 20 0 CAADHN CCCNC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123312592 779686282 /nfs/dbraw/zinc/68/62/82/779686282.db2.gz IAYSNUJBHBQCNN-UHFFFAOYSA-N 0 3 269.309 -2.095 20 0 CAADHN O=C(Cn1cnnn1)NCCN[C@@H]1CCNC1=O ZINC001123312503 779686394 /nfs/dbraw/zinc/68/63/94/779686394.db2.gz DQEDPCVANUJABX-SSDOTTSWSA-N 0 3 253.266 -2.733 20 0 CAADHN O=C(Cn1cnnn1)NCCNCC(=O)N1CCCC1 ZINC001123306347 779686419 /nfs/dbraw/zinc/68/64/19/779686419.db2.gz VMBRRETZDJIDOY-UHFFFAOYSA-N 0 3 281.320 -1.999 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)Cn2cnnn2)C1=O ZINC001123312231 779686423 /nfs/dbraw/zinc/68/64/23/779686423.db2.gz BCWUFXAYPIEIRH-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN CC(C)(C)CNC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123327247 779686650 /nfs/dbraw/zinc/68/66/50/779686650.db2.gz PJJGPNYTYXPIQU-UHFFFAOYSA-N 0 3 297.363 -1.459 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123313144 779686687 /nfs/dbraw/zinc/68/66/87/779686687.db2.gz NPSZNZAHQUXKHU-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1cnnn1)C(N)=O ZINC001123328068 779686882 /nfs/dbraw/zinc/68/68/82/779686882.db2.gz ZUMFZJVBDZGAAU-ZETCQYMHSA-N 0 3 255.282 -2.357 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)Cn2cnnn2)C1=O ZINC001123326991 779687128 /nfs/dbraw/zinc/68/71/28/779687128.db2.gz LBCIVYVPNQAZSP-SNVBAGLBSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1COCCO1 ZINC001123877694 779696697 /nfs/dbraw/zinc/69/66/97/779696697.db2.gz USICVFHGAVVUAJ-DTWKUNHWSA-N 0 3 259.306 -1.758 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123323242 779687305 /nfs/dbraw/zinc/68/73/05/779687305.db2.gz ONISODINMCTQSN-ZETCQYMHSA-N 0 3 255.282 -2.487 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123313963 779687348 /nfs/dbraw/zinc/68/73/48/779687348.db2.gz ZUPYGKHCMXCTTH-UHFFFAOYSA-N 0 3 298.307 -2.775 20 0 CAADHN CCO[C@@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001123975507 779699010 /nfs/dbraw/zinc/69/90/10/779699010.db2.gz YUFZFWATOGGUCU-VIFPVBQESA-N 0 3 281.378 -1.334 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cn1cnnn1 ZINC001123327771 779687458 /nfs/dbraw/zinc/68/74/58/779687458.db2.gz WJTLXSBBKOLUQS-UHFFFAOYSA-N 0 3 291.337 -3.072 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123327405 779687473 /nfs/dbraw/zinc/68/74/73/779687473.db2.gz QNEKEPRSZGSEFZ-UHFFFAOYSA-N 0 3 283.336 -1.849 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123313146 779687482 /nfs/dbraw/zinc/68/74/82/779687482.db2.gz NPSZNZAHQUXKHU-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)Cn2cnnn2)C1=O ZINC001123326831 779687535 /nfs/dbraw/zinc/68/75/35/779687535.db2.gz IRQMTSZSJPOAMK-MRVPVSSYSA-N 0 3 267.293 -2.390 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCCC1=O)C(=O)N(C)C ZINC001123348199 779687819 /nfs/dbraw/zinc/68/78/19/779687819.db2.gz PUGBBEWUZNNXCS-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CN2CCCC2=O)C1=O ZINC001123347845 779687843 /nfs/dbraw/zinc/68/78/43/779687843.db2.gz HQCHYRHFMKZBDM-JTQLQIEISA-N 0 3 282.344 -1.455 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1CCCC1=O ZINC001123341760 779687909 /nfs/dbraw/zinc/68/79/09/779687909.db2.gz QASMLSHHHAKNRF-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN O=C(CNCCNC(=O)CN1CCCC1=O)NCC1CC1 ZINC001123335558 779687925 /nfs/dbraw/zinc/68/79/25/779687925.db2.gz WYTMIGXCTIERAE-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN CCN(C(=O)CNCCNC(=O)Cn1cnnn1)C1CC1 ZINC001123335633 779687944 /nfs/dbraw/zinc/68/79/44/779687944.db2.gz ZQOVJRSINNHHKW-UHFFFAOYSA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCCC1=O)C(N)=O ZINC001123341560 779688152 /nfs/dbraw/zinc/68/81/52/779688152.db2.gz LIMLKXDPGHYWNL-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CN1CCCC1=O ZINC001123341913 779688252 /nfs/dbraw/zinc/68/82/52/779688252.db2.gz SSPQTZVJLYWKRR-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1CCCC1=O ZINC001123341761 779688376 /nfs/dbraw/zinc/68/83/76/779688376.db2.gz QASMLSHHHAKNRF-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335498 779688382 /nfs/dbraw/zinc/68/83/82/779688382.db2.gz UOXGEUBSSVOMTJ-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1CCCC1=O)C(N)=O ZINC001123348359 779688396 /nfs/dbraw/zinc/68/83/96/779688396.db2.gz WOYUITNWQPXIES-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335325 779688502 /nfs/dbraw/zinc/68/85/02/779688502.db2.gz NEPHVKKFWSCWLK-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN CCC[C@@H](C)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123335337 779688508 /nfs/dbraw/zinc/68/85/08/779688508.db2.gz NQAVIYAJGFCXPI-SNVBAGLBSA-N 0 3 297.363 -1.316 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnsn1 ZINC001124154286 779704740 /nfs/dbraw/zinc/70/47/40/779704740.db2.gz GSLWLMFUEVAZGR-UHFFFAOYSA-N 0 3 257.319 -1.006 20 0 CAADHN O=C(Cn1cccn1)NCCNCC(=O)N1CCC1 ZINC001123514487 779689121 /nfs/dbraw/zinc/68/91/21/779689121.db2.gz BBOQRAYCGLJHKA-UHFFFAOYSA-N 0 3 265.317 -1.179 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCN(C)C2=O)cn1 ZINC001123359928 779689196 /nfs/dbraw/zinc/68/91/96/779689196.db2.gz UOOLETWHOXSQKM-JTQLQIEISA-N 0 3 265.317 -1.030 20 0 CAADHN Cc1cc(C(=O)NCCNCCNS(C)(=O)=O)on1 ZINC001123434889 779689215 /nfs/dbraw/zinc/68/92/15/779689215.db2.gz QJRCKWHDDUKZOG-UHFFFAOYSA-N 0 3 290.345 -1.148 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnn(C)c1 ZINC001123353077 779689230 /nfs/dbraw/zinc/68/92/30/779689230.db2.gz BGGNQOJZVAJPCD-UHFFFAOYSA-N 0 3 253.306 -1.124 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)on1 ZINC001123439288 779689246 /nfs/dbraw/zinc/68/92/46/779689246.db2.gz CDYSNMUWULEBJL-SSDOTTSWSA-N 0 3 283.288 -1.114 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCN(C)C2=O)cn1 ZINC001123359929 779689275 /nfs/dbraw/zinc/68/92/75/779689275.db2.gz UOOLETWHOXSQKM-SNVBAGLBSA-N 0 3 265.317 -1.030 20 0 CAADHN CC(=O)CCCC(=O)NCCNCC(=O)NC(N)=O ZINC001123480432 779689322 /nfs/dbraw/zinc/68/93/22/779689322.db2.gz OTFHSXLHMAMCIS-UHFFFAOYSA-N 0 3 272.305 -1.354 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cn1cccn1 ZINC001123515499 779689338 /nfs/dbraw/zinc/68/93/38/779689338.db2.gz OKBQLOWQQHWYTF-UHFFFAOYSA-N 0 3 282.304 -1.956 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn(C)c1)C(=O)NC(N)=O ZINC001123358390 779689525 /nfs/dbraw/zinc/68/95/25/779689525.db2.gz DBSDFESAMAOQNH-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)c1 ZINC001123360382 779689588 /nfs/dbraw/zinc/68/95/88/779689588.db2.gz ZZOBWOLPGAPEGQ-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN O=C(Cn1cccn1)NCCNCC(=O)N1CCOCC1 ZINC001123514834 779689639 /nfs/dbraw/zinc/68/96/39/779689639.db2.gz GTTNTZPUHMTIMI-UHFFFAOYSA-N 0 3 295.343 -1.552 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)Cn1cccn1 ZINC001123514872 779689804 /nfs/dbraw/zinc/68/98/04/779689804.db2.gz IBRANLQCGPZYCX-UHFFFAOYSA-N 0 3 297.359 -1.258 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cn1cccn1 ZINC001123514439 779689836 /nfs/dbraw/zinc/68/98/36/779689836.db2.gz ARDFNRNPGHHIGW-UHFFFAOYSA-N 0 3 253.306 -1.323 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnn(C)c1 ZINC001123353113 779689856 /nfs/dbraw/zinc/68/98/56/779689856.db2.gz DCDVYDUGKKUFDV-UHFFFAOYSA-N 0 3 282.304 -1.805 20 0 CAADHN Cn1cc(C(=O)NCCNCCNS(C)(=O)=O)cn1 ZINC001123359466 779689866 /nfs/dbraw/zinc/68/98/66/779689866.db2.gz PIVBAQHLFVMGKJ-UHFFFAOYSA-N 0 3 289.361 -1.711 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1cccn1 ZINC001123531912 779690219 /nfs/dbraw/zinc/69/02/19/779690219.db2.gz YXJDKJJTTDHDQS-VIFPVBQESA-N 0 3 253.306 -1.277 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149098609 779690255 /nfs/dbraw/zinc/69/02/55/779690255.db2.gz NXMAFFHSNHJMDD-CMPLNLGQSA-N 0 3 287.360 -1.290 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1cccn1 ZINC001123515651 779690265 /nfs/dbraw/zinc/69/02/65/779690265.db2.gz PCFTTYLNGUROPH-UHFFFAOYSA-N 0 3 253.306 -1.275 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1cccn1)C(N)=O ZINC001123531006 779690322 /nfs/dbraw/zinc/69/03/22/779690322.db2.gz DLCZHTANBJJOII-VIFPVBQESA-N 0 3 253.306 -1.147 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnsn1 ZINC001124167654 779705300 /nfs/dbraw/zinc/70/53/00/779705300.db2.gz DIQGGMFENCKHCQ-ZCFIWIBFSA-N 0 3 257.319 -1.008 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149098612 779690617 /nfs/dbraw/zinc/69/06/17/779690617.db2.gz NXMAFFHSNHJMDD-ZYHUDNBSSA-N 0 3 287.360 -1.290 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149098611 779690781 /nfs/dbraw/zinc/69/07/81/779690781.db2.gz NXMAFFHSNHJMDD-PWSUYJOCSA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1c(C(=O)NCCN[C@H](C)C(N)=O)cnn1C ZINC001123592033 779690863 /nfs/dbraw/zinc/69/08/63/779690863.db2.gz FFYNBZZMYHNLAZ-SSDOTTSWSA-N 0 3 253.306 -1.078 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1cccn1 ZINC001123531910 779690881 /nfs/dbraw/zinc/69/08/81/779690881.db2.gz YXJDKJJTTDHDQS-SECBINFHSA-N 0 3 253.306 -1.277 20 0 CAADHN Cc1c(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)cnn1C ZINC001123592260 779691005 /nfs/dbraw/zinc/69/10/05/779691005.db2.gz QATVANDWJOVTBK-SNVBAGLBSA-N 0 3 293.327 -1.147 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@H](CC)C(N)=O ZINC001124311425 779709383 /nfs/dbraw/zinc/70/93/83/779709383.db2.gz RRBWGVZIZOFYEE-SECBINFHSA-N 0 3 272.349 -1.128 20 0 CAADHN CS(=O)(=O)CC(=O)NCCN[C@H]1CCCNC1=O ZINC001124362882 779710190 /nfs/dbraw/zinc/71/01/90/779710190.db2.gz RVAGFKXFPRXCPR-QMMMGPOBSA-N 0 3 277.346 -1.985 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1cncn1)C(=O)NC(N)=O ZINC001123666670 779691554 /nfs/dbraw/zinc/69/15/54/779691554.db2.gz PVWLQKCBKBSIPY-MRVPVSSYSA-N 0 3 297.319 -2.043 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CS(C)(=O)=O)C1=O ZINC001124366480 779710573 /nfs/dbraw/zinc/71/05/73/779710573.db2.gz JNMFXCWRGVIEJR-MRVPVSSYSA-N 0 3 277.346 -2.033 20 0 CAADHN O=C(CCn1cncn1)NCCN[C@H]1CCNC1=O ZINC001123660095 779691941 /nfs/dbraw/zinc/69/19/41/779691941.db2.gz URFXPKBOIVHOEB-VIFPVBQESA-N 0 3 266.305 -1.738 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CCn2cncn2)C1=O ZINC001123676321 779692122 /nfs/dbraw/zinc/69/21/22/779692122.db2.gz KSWRHFPRULELKZ-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN O=C(CCn1cncn1)NCCNCC(=O)N1CCC1 ZINC001123659116 779692130 /nfs/dbraw/zinc/69/21/30/779692130.db2.gz FPMMELVRYGXEQO-UHFFFAOYSA-N 0 3 280.332 -1.394 20 0 CAADHN CNC(=O)CNCCNC(=O)CCn1cccn1 ZINC001123712762 779692184 /nfs/dbraw/zinc/69/21/84/779692184.db2.gz VWRVECFINYVEBH-UHFFFAOYSA-N 0 3 253.306 -1.275 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCn1cccn1 ZINC001123712622 779692360 /nfs/dbraw/zinc/69/23/60/779692360.db2.gz PVVDTHVRQZRWJA-UHFFFAOYSA-N 0 3 282.304 -1.826 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCn1cncn1 ZINC001123659117 779692376 /nfs/dbraw/zinc/69/23/76/779692376.db2.gz FQZLKFWBQVLCDJ-UHFFFAOYSA-N 0 3 268.321 -1.538 20 0 CAADHN O=C(CCn1cccn1)NCCN[C@@H]1CCNC1=O ZINC001123712257 779692387 /nfs/dbraw/zinc/69/23/87/779692387.db2.gz FJLRSPOZMDHLRK-SNVBAGLBSA-N 0 3 265.317 -1.133 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1cccn1)C(N)=O ZINC001123718793 779692602 /nfs/dbraw/zinc/69/26/02/779692602.db2.gz MTRRTHVOHVODQU-SECBINFHSA-N 0 3 253.306 -1.147 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1cccn1)C(=O)NC(N)=O ZINC001123753154 779692900 /nfs/dbraw/zinc/69/29/00/779692900.db2.gz UDBOXYMJYGGISN-SECBINFHSA-N 0 3 296.331 -1.438 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@H]2COCCO2)C1=O ZINC001123868576 779695229 /nfs/dbraw/zinc/69/52/29/779695229.db2.gz AVRXHTTXCWZHAG-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1COCCO1 ZINC001123870013 779695267 /nfs/dbraw/zinc/69/52/67/779695267.db2.gz MQSGSBPTYPAERI-SNVBAGLBSA-N 0 3 273.333 -1.366 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1COCCO1 ZINC001123868997 779695300 /nfs/dbraw/zinc/69/53/00/779695300.db2.gz FOMDILCEIJMPEH-GFCCVEGCSA-N 0 3 299.371 -1.024 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@H]1COCCO1 ZINC001123869906 779695369 /nfs/dbraw/zinc/69/53/69/779695369.db2.gz LIGIZLGMSBZLRD-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@@H]2COCCO2)C1=O ZINC001123868574 779695472 /nfs/dbraw/zinc/69/54/72/779695472.db2.gz AVRXHTTXCWZHAG-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1COCCO1 ZINC001123868999 779695543 /nfs/dbraw/zinc/69/55/43/779695543.db2.gz FOMDILCEIJMPEH-LBPRGKRZSA-N 0 3 299.371 -1.024 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001123868862 779695744 /nfs/dbraw/zinc/69/57/44/779695744.db2.gz CTEXKHKEFLEREI-NSHDSACASA-N 0 3 285.344 -1.272 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1COCCO1 ZINC001123870012 779695752 /nfs/dbraw/zinc/69/57/52/779695752.db2.gz MQSGSBPTYPAERI-JTQLQIEISA-N 0 3 273.333 -1.366 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@H]2COCCO2)C1=O ZINC001123868573 779695817 /nfs/dbraw/zinc/69/58/17/779695817.db2.gz AVRXHTTXCWZHAG-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1COCCO1 ZINC001123877693 779696554 /nfs/dbraw/zinc/69/65/54/779696554.db2.gz USICVFHGAVVUAJ-BDAKNGLRSA-N 0 3 259.306 -1.758 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1COCCO1 ZINC001123870459 779696575 /nfs/dbraw/zinc/69/65/75/779696575.db2.gz URQSMHFBVSZASR-MRVPVSSYSA-N 0 3 288.304 -2.437 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1COCCO1)NC1CC1 ZINC001123870543 779696660 /nfs/dbraw/zinc/69/66/60/779696660.db2.gz WJIHPPCAFMROQC-JTQLQIEISA-N 0 3 271.317 -1.614 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1COCCO1)C(N)=O ZINC001123883126 779697037 /nfs/dbraw/zinc/69/70/37/779697037.db2.gz INQQIBIYUHNFTE-IUCAKERBSA-N 0 3 259.306 -1.629 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2COCCO2)C1=O ZINC001123877127 779697123 /nfs/dbraw/zinc/69/71/23/779697123.db2.gz PKIUFFWWHLSCKW-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@H]1COCCO1 ZINC001123882922 779697246 /nfs/dbraw/zinc/69/72/46/779697246.db2.gz GVGOXOLGKDTZQK-SECBINFHSA-N 0 3 295.361 -2.343 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1COCCO1 ZINC001123870616 779697306 /nfs/dbraw/zinc/69/73/06/779697306.db2.gz YAJJFBRWXQOTAY-SSDOTTSWSA-N 0 3 274.277 -2.698 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2COCCO2)C1=O ZINC001123877126 779697332 /nfs/dbraw/zinc/69/73/32/779697332.db2.gz PKIUFFWWHLSCKW-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)n1cccn1 ZINC001123912225 779697679 /nfs/dbraw/zinc/69/76/79/779697679.db2.gz VIQRGUOMORVWEY-SECBINFHSA-N 0 3 253.306 -1.104 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccn[nH]1 ZINC001123912215 779697704 /nfs/dbraw/zinc/69/77/04/779697704.db2.gz VDKJJGUCHFPUDW-SSDOTTSWSA-N 0 3 282.304 -1.427 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2ccn[nH]2)C1=O ZINC001123904129 779697956 /nfs/dbraw/zinc/69/79/56/779697956.db2.gz NXYNCARWRRLEBH-SECBINFHSA-N 0 3 251.290 -1.040 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)n1cccn1 ZINC001123912226 779698099 /nfs/dbraw/zinc/69/80/99/779698099.db2.gz VIQRGUOMORVWEY-VIFPVBQESA-N 0 3 253.306 -1.104 20 0 CAADHN CN(CCNCCNC(=O)c1ccn[nH]1)S(C)(=O)=O ZINC001123897387 779698240 /nfs/dbraw/zinc/69/82/40/779698240.db2.gz BDURWYWAAHUVOZ-UHFFFAOYSA-N 0 3 289.361 -1.380 20 0 CAADHN O=C(CNCCNC(=O)c1ccn[nH]1)N1CCC1 ZINC001123892451 779698308 /nfs/dbraw/zinc/69/83/08/779698308.db2.gz YQPBAZIQBBMSBZ-UHFFFAOYSA-N 0 3 251.290 -1.039 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1ccn[nH]1 ZINC001123904277 779698544 /nfs/dbraw/zinc/69/85/44/779698544.db2.gz XBBYJIZCCXHXIK-UHFFFAOYSA-N 0 3 275.334 -1.722 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC(N)=O)n1cccn1 ZINC001123919814 779699450 /nfs/dbraw/zinc/69/94/50/779699450.db2.gz YHUZRCIMTBWARV-MRVPVSSYSA-N 0 3 282.304 -1.655 20 0 CAADHN C[C@@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)n1cccn1 ZINC001123919365 779699613 /nfs/dbraw/zinc/69/96/13/779699613.db2.gz WEXQACQTABTMSZ-VHSXEESVSA-N 0 3 293.327 -1.045 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)n1cccn1 ZINC001123919360 779699661 /nfs/dbraw/zinc/69/96/61/779699661.db2.gz WEXQACQTABTMSZ-NXEZZACHSA-N 0 3 293.327 -1.045 20 0 CAADHN CCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001123974335 779699669 /nfs/dbraw/zinc/69/96/69/779699669.db2.gz LJAGBKFBABYGSD-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)n1cccn1)C(=O)NC(N)=O ZINC001123932304 779699771 /nfs/dbraw/zinc/69/97/71/779699771.db2.gz ZDIAFUFHFNJZTD-RKDXNWHRSA-N 0 3 296.331 -1.267 20 0 CAADHN C[C@H]1CN(C(=O)CNCCNC(=O)c2cn[nH]c2)CCO1 ZINC001124061290 779701402 /nfs/dbraw/zinc/70/14/02/779701402.db2.gz KYGIXBRMFZTEHC-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cn[nH]c1 ZINC001124055541 779701426 /nfs/dbraw/zinc/70/14/26/779701426.db2.gz FPSNEINRBQHYGD-QMMMGPOBSA-N 0 3 265.273 -1.466 20 0 CAADHN O=C(CNCCNC(=O)c1cn[nH]c1)NC[C@H]1CCOC1 ZINC001124078818 779701610 /nfs/dbraw/zinc/70/16/10/779701610.db2.gz WCYWTRNOIBAZLA-SNVBAGLBSA-N 0 3 295.343 -1.118 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1cn[nH]c1 ZINC001124055588 779701758 /nfs/dbraw/zinc/70/17/58/779701758.db2.gz HBHWGJDAMXOBBS-UHFFFAOYSA-N 0 3 283.332 -1.118 20 0 CAADHN COCCCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124067808 779701895 /nfs/dbraw/zinc/70/18/95/779701895.db2.gz LJXZXSRCKOQCRP-VIFPVBQESA-N 0 3 271.317 -1.076 20 0 CAADHN C[C@@H]1CN(C(=O)CNCCNC(=O)c2cn[nH]c2)CCO1 ZINC001124061291 779701962 /nfs/dbraw/zinc/70/19/62/779701962.db2.gz KYGIXBRMFZTEHC-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN COCCCC(=O)NCCNCCNS(C)(=O)=O ZINC001124072784 779702069 /nfs/dbraw/zinc/70/20/69/779702069.db2.gz DHQGZWYNAMQSPW-UHFFFAOYSA-N 0 3 281.378 -1.332 20 0 CAADHN CN(CCNCCNC(=O)c1cn[nH]c1)S(C)(=O)=O ZINC001124055468 779702091 /nfs/dbraw/zinc/70/20/91/779702091.db2.gz BIVLJQHYZCVJEA-UHFFFAOYSA-N 0 3 289.361 -1.380 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCCOC ZINC001124079076 779702120 /nfs/dbraw/zinc/70/21/20/779702120.db2.gz ZRIDIKIHVVKXTL-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCN[C@H](CC)C(N)=O ZINC001149100880 779702168 /nfs/dbraw/zinc/70/21/68/779702168.db2.gz XAZABQRKXAVHOH-RKDXNWHRSA-N 0 3 287.364 -1.207 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cn[nH]c1 ZINC001124067923 779702290 /nfs/dbraw/zinc/70/22/90/779702290.db2.gz QFICZKIPUQSBPK-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@@H](NCCNC(=O)COCC1CC1)C(=O)NC(N)=O ZINC001124034330 779702303 /nfs/dbraw/zinc/70/23/03/779702303.db2.gz XOBGTCCFHVHAGU-MRVPVSSYSA-N 0 3 286.332 -1.298 20 0 CAADHN CC[C@@H](NCCNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001124108075 779702789 /nfs/dbraw/zinc/70/27/89/779702789.db2.gz RSVJXAWFGDSGQZ-SECBINFHSA-N 0 3 270.333 -1.518 20 0 CAADHN O=C(CNC(=O)C1CC1)NCCNCC(=O)NCC1CC1 ZINC001124084284 779702862 /nfs/dbraw/zinc/70/28/62/779702862.db2.gz IUMRTGIZPDBNKQ-UHFFFAOYSA-N 0 3 296.371 -1.255 20 0 CAADHN COCCCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001124088421 779702913 /nfs/dbraw/zinc/70/29/13/779702913.db2.gz BSDRKMMKVIIADB-UHFFFAOYSA-N 0 3 287.360 -1.022 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)CCCOC ZINC001124088488 779702957 /nfs/dbraw/zinc/70/29/57/779702957.db2.gz DOYZHIRXYGTOEV-UHFFFAOYSA-N 0 3 288.348 -1.036 20 0 CAADHN C[C@H](NCCNC(=O)c1cn[nH]c1)C(=O)NC(N)=O ZINC001124084278 779702991 /nfs/dbraw/zinc/70/29/91/779702991.db2.gz ITYYPGGAMZXYHZ-LURJTMIESA-N 0 3 268.277 -1.688 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001149100896 779703065 /nfs/dbraw/zinc/70/30/65/779703065.db2.gz XRYUEZVXGDETSG-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)C1CC1)C(=O)NC(N)=O ZINC001124089122 779703080 /nfs/dbraw/zinc/70/30/80/779703080.db2.gz UHBNKYYZROESQN-SSDOTTSWSA-N 0 3 299.331 -2.198 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)COC1CCCC1 ZINC001124101267 779703162 /nfs/dbraw/zinc/70/31/62/779703162.db2.gz GNKFNOVQFXLQNY-UHFFFAOYSA-N 0 3 286.332 -1.154 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)C1CC1 ZINC001124084393 779703236 /nfs/dbraw/zinc/70/32/36/779703236.db2.gz MGYCYLVIRNGUSO-UHFFFAOYSA-N 0 3 256.306 -2.036 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CNC(=O)C2CC2)C1=O ZINC001124108228 779703254 /nfs/dbraw/zinc/70/32/54/779703254.db2.gz YGGNZYFXBCZJEL-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(CNC(=O)C1CC1)NCCNCC(=O)N1CCC1 ZINC001124084354 779703339 /nfs/dbraw/zinc/70/33/39/779703339.db2.gz KVYFLCCTCQFRQN-UHFFFAOYSA-N 0 3 282.344 -1.549 20 0 CAADHN O=C(CNC(=O)C1CC1)NCCN[C@H]1CCNC1=O ZINC001124100961 779703383 /nfs/dbraw/zinc/70/33/83/779703383.db2.gz AKEGCVRPJBAFBT-VIFPVBQESA-N 0 3 268.317 -1.893 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001124088445 779703415 /nfs/dbraw/zinc/70/34/15/779703415.db2.gz CEOAUMLFCSXIKA-ZETCQYMHSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)C1CC1 ZINC001124108099 779703433 /nfs/dbraw/zinc/70/34/33/779703433.db2.gz SRRPVWGFHLWDCU-MRVPVSSYSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)C1CC1)C(=O)N(C)C ZINC001124107946 779703563 /nfs/dbraw/zinc/70/35/63/779703563.db2.gz LLFNIFFLDHYFPO-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN O=C(CNC(=O)C1CC1)NCCN[C@@H]1CCNC1=O ZINC001124100959 779703720 /nfs/dbraw/zinc/70/37/20/779703720.db2.gz AKEGCVRPJBAFBT-SECBINFHSA-N 0 3 268.317 -1.893 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001124172195 779704174 /nfs/dbraw/zinc/70/41/74/779704174.db2.gz HIQHRCDOJLPHBR-MRVPVSSYSA-N 0 3 272.305 -1.673 20 0 CAADHN Cc1ncncc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124125373 779704187 /nfs/dbraw/zinc/70/41/87/779704187.db2.gz ONCXATYSHWIJMQ-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@H]1CCCNC1=O ZINC001124172196 779704259 /nfs/dbraw/zinc/70/42/59/779704259.db2.gz HIQHRCDOJLPHBR-QMMMGPOBSA-N 0 3 272.305 -1.673 20 0 CAADHN CCO[C@H]1C[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001124141730 779704442 /nfs/dbraw/zinc/70/44/42/779704442.db2.gz WYAJVLOJVMNJJJ-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CNC(=O)OC ZINC001124173150 779704467 /nfs/dbraw/zinc/70/44/67/779704467.db2.gz WLMIJJPTJANGGZ-UHFFFAOYSA-N 0 3 274.321 -1.426 20 0 CAADHN Cc1ncncc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001124119511 779704500 /nfs/dbraw/zinc/70/45/00/779704500.db2.gz MZVUSIWVNZJWIH-SNVBAGLBSA-N 0 3 263.301 -1.007 20 0 CAADHN CCO[C@H]1C[C@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001124141728 779704526 /nfs/dbraw/zinc/70/45/26/779704526.db2.gz WYAJVLOJVMNJJJ-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN CCO[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC ZINC001124150316 779704537 /nfs/dbraw/zinc/70/45/37/779704537.db2.gz ZQOLGUVYQFJVJQ-DTWKUNHWSA-N 0 3 286.332 -1.427 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124172365 779704661 /nfs/dbraw/zinc/70/46/61/779704661.db2.gz LJJDKMUVRLQLCR-SSDOTTSWSA-N 0 3 286.288 -2.147 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnsn1 ZINC001124154142 779704813 /nfs/dbraw/zinc/70/48/13/779704813.db2.gz CTFZYQRDPFVFRN-UHFFFAOYSA-N 0 3 286.317 -1.687 20 0 CAADHN CCO[C@@H]1C[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001124146250 779704847 /nfs/dbraw/zinc/70/48/47/779704847.db2.gz BWPXORMJMSEFTR-HTQZYQBOSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnsn1 ZINC001124167637 779704900 /nfs/dbraw/zinc/70/49/00/779704900.db2.gz DIQGGMFENCKHCQ-LURJTMIESA-N 0 3 257.319 -1.008 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cnns1 ZINC001124164404 779705110 /nfs/dbraw/zinc/70/51/10/779705110.db2.gz WVGPFZOYDMWBQB-UHFFFAOYSA-N 0 3 257.319 -1.054 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cncnc1C ZINC001124118956 779705139 /nfs/dbraw/zinc/70/51/39/779705139.db2.gz GQNJUABOXQJCBR-UHFFFAOYSA-N 0 3 294.315 -1.440 20 0 CAADHN Cc1ncncc1C(=O)NCCN[C@H](C)C(N)=O ZINC001124119790 779705202 /nfs/dbraw/zinc/70/52/02/779705202.db2.gz QANAMMRFAJITCA-MRVPVSSYSA-N 0 3 251.290 -1.022 20 0 CAADHN O=C(CNCCNC(=O)c1cnsn1)N1CCOCC1 ZINC001124154203 779705243 /nfs/dbraw/zinc/70/52/43/779705243.db2.gz FFTBNCXHVWZUBM-UHFFFAOYSA-N 0 3 299.356 -1.284 20 0 CAADHN Cc1ncncc1C(=O)NCCNCC(=O)NC(N)=O ZINC001124119968 779705318 /nfs/dbraw/zinc/70/53/18/779705318.db2.gz UQTSDULWMQCYLO-UHFFFAOYSA-N 0 3 280.288 -1.701 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001124306108 779708554 /nfs/dbraw/zinc/70/85/54/779708554.db2.gz VFCGWSLSCHKJRO-SNVBAGLBSA-N 0 3 284.360 -1.113 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001124311522 779708613 /nfs/dbraw/zinc/70/86/13/779708613.db2.gz UDBXCUWVABVUFY-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H]2CCNC2=O)nn1C ZINC001124281929 779708830 /nfs/dbraw/zinc/70/88/30/779708830.db2.gz NLQWXNFWLJTHIS-SECBINFHSA-N 0 3 265.317 -1.064 20 0 CAADHN CO[C@H](C)C(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001124293860 779708937 /nfs/dbraw/zinc/70/89/37/779708937.db2.gz XXXHSFFEWSXHKS-GHMZBOCLSA-N 0 3 287.360 -1.120 20 0 CAADHN Cc1cnn(CC(=O)NCCN[C@H]2CCC(=O)NC2=O)c1 ZINC001124287852 779708950 /nfs/dbraw/zinc/70/89/50/779708950.db2.gz NFJNDPYXMPEPJM-JTQLQIEISA-N 0 3 293.327 -1.297 20 0 CAADHN CCCC(=O)NCC(=O)NCCNCC(=O)NC1CC1 ZINC001124305002 779709005 /nfs/dbraw/zinc/70/90/05/779709005.db2.gz GCPKDIMCEXPILD-UHFFFAOYSA-N 0 3 284.360 -1.113 20 0 CAADHN Cc1cnn(CC(=O)NCCN[C@@H]2CCNC2=O)c1 ZINC001124287463 779709020 /nfs/dbraw/zinc/70/90/20/779709020.db2.gz CDMJUADJJLTXTF-SNVBAGLBSA-N 0 3 265.317 -1.214 20 0 CAADHN CCCC(=O)NCC(=O)NCCNCC(=O)NCC ZINC001124304671 779709037 /nfs/dbraw/zinc/70/90/37/779709037.db2.gz BIXBIYJRSWHWHQ-UHFFFAOYSA-N 0 3 272.349 -1.255 20 0 CAADHN Cc1cnn(CC(=O)NCCNCC(=O)N(C)C)c1 ZINC001124287789 779709197 /nfs/dbraw/zinc/70/91/97/779709197.db2.gz LEXDDZCMENBHGT-UHFFFAOYSA-N 0 3 267.333 -1.014 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001124311524 779709209 /nfs/dbraw/zinc/70/92/09/779709209.db2.gz UDBXCUWVABVUFY-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)OC ZINC001124273687 779709317 /nfs/dbraw/zinc/70/93/17/779709317.db2.gz SCTQMEHJMSMWDI-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN CO[C@@H](C)C(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001124293661 779709491 /nfs/dbraw/zinc/70/94/91/779709491.db2.gz XAUURYNLRUQTTL-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@@H](C)C(N)=O ZINC001124310685 779709572 /nfs/dbraw/zinc/70/95/72/779709572.db2.gz HQUJYRDTRJEYEX-QMMMGPOBSA-N 0 3 258.322 -1.518 20 0 CAADHN CO[C@H](C)C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001124293663 779709607 /nfs/dbraw/zinc/70/96/07/779709607.db2.gz XAUURYNLRUQTTL-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CS(C)(=O)=O)C1=O ZINC001124366206 779710271 /nfs/dbraw/zinc/71/02/71/779710271.db2.gz GRVNJMMPMDEWRE-SECBINFHSA-N 0 3 291.373 -1.642 20 0 CAADHN Cc1cnn(CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O)c1 ZINC001124335628 779710421 /nfs/dbraw/zinc/71/04/21/779710421.db2.gz WDGVEOWBOWXAEQ-VIFPVBQESA-N 0 3 296.331 -1.519 20 0 CAADHN C[C@H](NCCNC(=O)CS(C)(=O)=O)C(=O)N(C)C ZINC001124366007 779710633 /nfs/dbraw/zinc/71/06/33/779710633.db2.gz DDCIPHAJJXARSQ-QMMMGPOBSA-N 0 3 279.362 -1.787 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ncoc1C ZINC001124376313 779710695 /nfs/dbraw/zinc/71/06/95/779710695.db2.gz XKEQDYYFHNOADZ-UHFFFAOYSA-N 0 3 283.288 -1.242 20 0 CAADHN Cc1ocnc1C(=O)NCCNCCNS(C)(=O)=O ZINC001124371703 779710783 /nfs/dbraw/zinc/71/07/83/779710783.db2.gz ZXHJUXMBUNUISD-UHFFFAOYSA-N 0 3 290.345 -1.148 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CS(C)(=O)=O ZINC001124366538 779710826 /nfs/dbraw/zinc/71/08/26/779710826.db2.gz LOQNOSBCINEUII-ZETCQYMHSA-N 0 3 265.335 -2.129 20 0 CAADHN C[C@H](OCC1CC1)C(=O)NCCNCC(=O)NC(N)=O ZINC001124464756 779711461 /nfs/dbraw/zinc/71/14/61/779711461.db2.gz AYSAQMBQEVWBGG-QMMMGPOBSA-N 0 3 286.332 -1.298 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCOC2)C1=O ZINC001124509130 779711515 /nfs/dbraw/zinc/71/15/15/779711515.db2.gz LYBZLVJQMVLHMN-ZJUUUORDSA-N 0 3 255.318 -1.041 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1CCOC1 ZINC001124500703 779711527 /nfs/dbraw/zinc/71/15/27/779711527.db2.gz CXZXNTGSGZWLAS-IUCAKERBSA-N 0 3 269.301 -1.466 20 0 CAADHN Cn1nccc1C(=O)NCCNCCNS(C)(=O)=O ZINC001124550311 779711550 /nfs/dbraw/zinc/71/15/50/779711550.db2.gz GAQVDDWFBYISDD-UHFFFAOYSA-N 0 3 289.361 -1.711 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@H]1CCOC1 ZINC001124508978 779711678 /nfs/dbraw/zinc/71/16/78/779711678.db2.gz KONROFJPFBGSTJ-VIFPVBQESA-N 0 3 279.362 -1.722 20 0 CAADHN CCCOCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001124454256 779711895 /nfs/dbraw/zinc/71/18/95/779711895.db2.gz GBEXHRNYVMFRQJ-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCOC1 ZINC001124502792 779711926 /nfs/dbraw/zinc/71/19/26/779711926.db2.gz SOIGAVWZQDXDRX-MRVPVSSYSA-N 0 3 272.305 -1.816 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCOC1 ZINC001124502793 779712104 /nfs/dbraw/zinc/71/21/04/779712104.db2.gz SOIGAVWZQDXDRX-QMMMGPOBSA-N 0 3 272.305 -1.816 20 0 CAADHN CCCOCC(=O)NCCNCCNS(C)(=O)=O ZINC001124455537 779712134 /nfs/dbraw/zinc/71/21/34/779712134.db2.gz WOTCWEGXEPISFH-UHFFFAOYSA-N 0 3 281.378 -1.332 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1CCOC1 ZINC001124500701 779712145 /nfs/dbraw/zinc/71/21/45/779712145.db2.gz CXZXNTGSGZWLAS-BDAKNGLRSA-N 0 3 269.301 -1.466 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)COC(C)C ZINC001124432285 779712307 /nfs/dbraw/zinc/71/23/07/779712307.db2.gz UPDDHKQCFWXDLN-UHFFFAOYSA-N 0 3 274.321 -1.427 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCOC1)N1CCOCC1 ZINC001124502898 779712398 /nfs/dbraw/zinc/71/23/98/779712398.db2.gz ULLBHRPJRRLWSD-NSHDSACASA-N 0 3 285.344 -1.413 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)[C@@H]1CCOC1 ZINC001124494584 779712433 /nfs/dbraw/zinc/71/24/33/779712433.db2.gz JBRHOMMTVXTFEN-LLVKDONJSA-N 0 3 287.360 -1.119 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cc1cnn(C)c1 ZINC001124614119 779713033 /nfs/dbraw/zinc/71/30/33/779713033.db2.gz WVPZUKYXQISCPG-UHFFFAOYSA-N 0 3 267.333 -1.196 20 0 CAADHN CO[C@H](C)CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124606061 779713221 /nfs/dbraw/zinc/71/32/21/779713221.db2.gz AREDXXIQQHGRFF-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001124661205 779713229 /nfs/dbraw/zinc/71/32/29/779713229.db2.gz CINANMOIIKQTBA-BDAKNGLRSA-N 0 3 271.317 -1.363 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001124661208 779713269 /nfs/dbraw/zinc/71/32/69/779713269.db2.gz CINANMOIIKQTBA-DTWKUNHWSA-N 0 3 271.317 -1.363 20 0 CAADHN Cn1cc(CC(=O)NCCN[C@@H]2CCCNC2=O)cn1 ZINC001124622205 779713302 /nfs/dbraw/zinc/71/33/02/779713302.db2.gz UTNWDNOHQMUPNN-LLVKDONJSA-N 0 3 279.344 -1.053 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001124663610 779713378 /nfs/dbraw/zinc/71/33/78/779713378.db2.gz RCASXYSNRKZEGE-NKWVEPMBSA-N 0 3 286.288 -2.304 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccnn1C ZINC001124561674 779713452 /nfs/dbraw/zinc/71/34/52/779713452.db2.gz ONXXEJHXJZCOIY-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN CC[C@@H](NCCNC(=O)Cc1cnn(C)c1)C(N)=O ZINC001124627015 779713544 /nfs/dbraw/zinc/71/35/44/779713544.db2.gz WSYOJEUZLJSOIB-SNVBAGLBSA-N 0 3 267.333 -1.068 20 0 CAADHN Cn1cc(CC(=O)NCCN[C@H]2CCCNC2=O)cn1 ZINC001124622207 779713585 /nfs/dbraw/zinc/71/35/85/779713585.db2.gz UTNWDNOHQMUPNN-NSHDSACASA-N 0 3 279.344 -1.053 20 0 CAADHN CO[C@@H](C)CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001124594848 779713596 /nfs/dbraw/zinc/71/35/96/779713596.db2.gz NQSCCUCJAGKDGM-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN Cn1cc(CC(=O)NCCN[C@@H]2CCN(C)C2=O)cn1 ZINC001124626889 779713612 /nfs/dbraw/zinc/71/36/12/779713612.db2.gz RCVQBUTUIZSKGS-LLVKDONJSA-N 0 3 279.344 -1.101 20 0 CAADHN CO[C@@H](C)CC(=O)NCCNCCNS(C)(=O)=O ZINC001124599560 779713653 /nfs/dbraw/zinc/71/36/53/779713653.db2.gz AOTKFSKDZNLMPN-VIFPVBQESA-N 0 3 281.378 -1.334 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C[C@H](C)OC ZINC001124594470 779713883 /nfs/dbraw/zinc/71/38/83/779713883.db2.gz JUPGDWDUAOJKSC-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001124663611 779714120 /nfs/dbraw/zinc/71/41/20/779714120.db2.gz RCASXYSNRKZEGE-RNFRBKRXSA-N 0 3 286.288 -2.304 20 0 CAADHN COC(=O)[C@H]1C[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001124663609 779714222 /nfs/dbraw/zinc/71/42/22/779714222.db2.gz RCASXYSNRKZEGE-BQBZGAKWSA-N 0 3 286.288 -2.304 20 0 CAADHN COC[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124759777 779715764 /nfs/dbraw/zinc/71/57/64/779715764.db2.gz JVVVCISSSKFRGO-JGVFFNPUSA-N 0 3 274.321 -1.442 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cocn1 ZINC001124787955 779716035 /nfs/dbraw/zinc/71/60/35/779716035.db2.gz VSRJNOVRIUPVHS-UHFFFAOYSA-N 0 3 283.288 -1.160 20 0 CAADHN CCNC(=O)CCC(=O)NCCNCC(=O)NC1CC1 ZINC001124726529 779716142 /nfs/dbraw/zinc/71/61/42/779716142.db2.gz DQGIJYOATDMJHR-UHFFFAOYSA-N 0 3 284.360 -1.113 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cocn1 ZINC001124798624 779716197 /nfs/dbraw/zinc/71/61/97/779716197.db2.gz LWCHYNJECHYIDB-ZETCQYMHSA-N 0 3 283.288 -1.162 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001124727798 779716413 /nfs/dbraw/zinc/71/64/13/779716413.db2.gz WCPHUQOESKGRJI-SNVBAGLBSA-N 0 3 284.360 -1.113 20 0 CAADHN O=C(CNCCNC(=O)c1cocn1)NC(=O)NC1CC1 ZINC001124787947 779716442 /nfs/dbraw/zinc/71/64/42/779716442.db2.gz VLYNQNGVGYNDGH-UHFFFAOYSA-N 0 3 295.299 -1.018 20 0 CAADHN COC[C@@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001124761835 779716450 /nfs/dbraw/zinc/71/64/50/779716450.db2.gz YKTOUVAXYUMNNN-SECBINFHSA-N 0 3 281.378 -1.476 20 0 CAADHN O=C(CNCCNC(=O)c1cocn1)N1CCOCC1 ZINC001124787730 779716595 /nfs/dbraw/zinc/71/65/95/779716595.db2.gz LDLQLRPYDKCRDS-UHFFFAOYSA-N 0 3 282.300 -1.147 20 0 CAADHN COC[C@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001124761839 779716653 /nfs/dbraw/zinc/71/66/53/779716653.db2.gz YKTOUVAXYUMNNN-VIFPVBQESA-N 0 3 281.378 -1.476 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001124814618 779717746 /nfs/dbraw/zinc/71/77/46/779717746.db2.gz KTDGZSBZSWHWGT-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001124818881 779717788 /nfs/dbraw/zinc/71/77/88/779717788.db2.gz NEXXKFYYENMUCH-MWLCHTKSSA-N 0 3 296.371 -1.115 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124805502 779717837 /nfs/dbraw/zinc/71/78/37/779717837.db2.gz YNWVPVLWUJXDTL-SECBINFHSA-N 0 3 270.333 -1.505 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCC(=O)N1)NC1CC1 ZINC001124804519 779718288 /nfs/dbraw/zinc/71/82/88/779718288.db2.gz BMRWDSYLYLNUGQ-SECBINFHSA-N 0 3 268.317 -1.751 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001124804919 779718419 /nfs/dbraw/zinc/71/84/19/779718419.db2.gz PPYXALOXRCASBR-SNVBAGLBSA-N 0 3 282.344 -1.408 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804469 779718489 /nfs/dbraw/zinc/71/84/89/779718489.db2.gz AOFMWHXMSDGJQD-SNVBAGLBSA-N 0 3 265.317 -1.096 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804882 779718556 /nfs/dbraw/zinc/71/85/56/779718556.db2.gz OIRCLMRJNXYKSB-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@H]1CCCNC1=O ZINC001124856390 779718978 /nfs/dbraw/zinc/71/89/78/779718978.db2.gz RREKTUZVAHJMQF-VIFPVBQESA-N 0 3 270.333 -1.503 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124861612 779719196 /nfs/dbraw/zinc/71/91/96/779719196.db2.gz OSNBDHJLGZXKFD-MRVPVSSYSA-N 0 3 284.316 -1.976 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@H]1CCN(CC)C1=O ZINC001124861464 779719440 /nfs/dbraw/zinc/71/94/40/779719440.db2.gz NDNVASJVYKLLSK-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCC(=O)NCC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001124872491 779719680 /nfs/dbraw/zinc/71/96/80/779719680.db2.gz HSQSGGFSZGKCNT-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)COCCOC)C1=O ZINC001124925998 779719760 /nfs/dbraw/zinc/71/97/60/779719760.db2.gz NVLJOYMGTZTNMM-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN COCCOCC(=O)NCCN[C@H]1CCCNC1=O ZINC001124920052 779719906 /nfs/dbraw/zinc/71/99/06/779719906.db2.gz BDDUESWSTQRKNO-JTQLQIEISA-N 0 3 273.333 -1.366 20 0 CAADHN COCCOCC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001124920902 779719931 /nfs/dbraw/zinc/71/99/31/779719931.db2.gz LDHBJTKQZQOGSI-UHFFFAOYSA-N 0 3 287.360 -1.024 20 0 CAADHN CCC(=O)NCC(=O)NCCNCC(=O)N(C)CC ZINC001124872527 779719946 /nfs/dbraw/zinc/71/99/46/779719946.db2.gz JALIABWLAWYSLZ-UHFFFAOYSA-N 0 3 272.349 -1.303 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CC(N)=O)C1=O ZINC001125084715 779720536 /nfs/dbraw/zinc/72/05/36/779720536.db2.gz FEISFYAWMXOOBQ-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CNC(=O)CNCCNC(=O)c1nccnc1N ZINC001125028993 779720552 /nfs/dbraw/zinc/72/05/52/779720552.db2.gz DQVZLOMBYFMGFI-UHFFFAOYSA-N 0 3 252.278 -1.876 20 0 CAADHN C[C@H](NCCNC(=O)c1nccnc1N)C(=O)N(C)C ZINC001125034044 779720732 /nfs/dbraw/zinc/72/07/32/779720732.db2.gz LZGVVGKSHCXBJG-QMMMGPOBSA-N 0 3 280.332 -1.145 20 0 CAADHN Cc1[nH]nc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)c1C ZINC001125044436 779721101 /nfs/dbraw/zinc/72/11/01/779721101.db2.gz CDKOZKKHIVHLKB-QMMMGPOBSA-N 0 3 296.331 -1.071 20 0 CAADHN CN(C(=O)CNCCNC(=O)c1nccnc1N)C1CC1 ZINC001125028999 779721118 /nfs/dbraw/zinc/72/11/18/779721118.db2.gz DUOJJWWTVYFNEG-UHFFFAOYSA-N 0 3 292.343 -1.001 20 0 CAADHN CC(C)(C)N1CC[C@H](NCCNC(=O)CC(N)=O)C1=O ZINC001125084709 779721270 /nfs/dbraw/zinc/72/12/70/779721270.db2.gz DZPKUZAUADTBBQ-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1nccnc1N ZINC001125029230 779721390 /nfs/dbraw/zinc/72/13/90/779721390.db2.gz PNGHURBANAFPBY-UHFFFAOYSA-N 0 3 295.303 -2.166 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1nccnc1N ZINC001125029528 779721409 /nfs/dbraw/zinc/72/14/09/779721409.db2.gz YTOPERWUCKFHHO-UHFFFAOYSA-N 0 3 280.332 -1.144 20 0 CAADHN Nc1nccnc1C(=O)NCCNCC(=O)N1CCC1 ZINC001125028910 779721447 /nfs/dbraw/zinc/72/14/47/779721447.db2.gz AISHIUAOTDJYBV-UHFFFAOYSA-N 0 3 278.316 -1.390 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1cc(C)on1 ZINC001124999359 779721615 /nfs/dbraw/zinc/72/16/15/779721615.db2.gz QGJJRGZGCNWCMF-UHFFFAOYSA-N 0 3 254.290 -1.023 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)Cc2cc[nH]n2)C1=O ZINC001125157968 779722083 /nfs/dbraw/zinc/72/20/83/779722083.db2.gz GSCAUPPXDDCSQE-SNVBAGLBSA-N 0 3 265.317 -1.111 20 0 CAADHN CCC(CC)NC(=O)CNCCNC(=O)CC(N)=O ZINC001125090175 779722115 /nfs/dbraw/zinc/72/21/15/779722115.db2.gz CZJDFLBPJVRZBV-UHFFFAOYSA-N 0 3 272.349 -1.128 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1cc[nH]n1 ZINC001125165230 779722191 /nfs/dbraw/zinc/72/21/91/779722191.db2.gz ZCDLRTJXOKPDKI-QMMMGPOBSA-N 0 3 296.331 -1.498 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)CC(N)=O)C1CC1 ZINC001125090293 779722320 /nfs/dbraw/zinc/72/23/20/779722320.db2.gz HPOGIECYTRCXPG-QMMMGPOBSA-N 0 3 270.333 -1.518 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cc1cc[nH]n1 ZINC001125141315 779722398 /nfs/dbraw/zinc/72/23/98/779722398.db2.gz KLCAFILLPLJIOY-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)CC(N)=O ZINC001125090169 779722458 /nfs/dbraw/zinc/72/24/58/779722458.db2.gz CZEBAXCKCANNBA-UHFFFAOYSA-N 0 3 280.350 -2.493 20 0 CAADHN O=C(Cc1cc[nH]n1)NCCNCC(=O)N1CCC1 ZINC001125141376 779722516 /nfs/dbraw/zinc/72/25/16/779722516.db2.gz MXGSXSIEORGQGT-UHFFFAOYSA-N 0 3 265.317 -1.110 20 0 CAADHN O=C(Cc1ccon1)NCCN[C@H]1CCC(=O)NC1=O ZINC001125108763 779722901 /nfs/dbraw/zinc/72/29/01/779722901.db2.gz HCZDFUUVNVGOLS-VIFPVBQESA-N 0 3 280.284 -1.272 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CN(C)CCO1)C(=O)N(C)C ZINC001125220875 779723395 /nfs/dbraw/zinc/72/33/95/779723395.db2.gz LTHVTDKWACXQAL-WDEREUQCSA-N 0 3 286.376 -1.501 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001125214399 779723536 /nfs/dbraw/zinc/72/35/36/779723536.db2.gz SIUFQTKIHBXGGJ-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CN(C)CCO1)C(=O)NC1CC1 ZINC001125203348 779723687 /nfs/dbraw/zinc/72/36/87/779723687.db2.gz MACHDUIEXBCQFX-ZYHUDNBSSA-N 0 3 298.387 -1.310 20 0 CAADHN Cc1c(C(=O)NCCN[C@@H](C)C(=O)N(C)C)nnn1C ZINC001125184385 779724072 /nfs/dbraw/zinc/72/40/72/779724072.db2.gz FQQQTMTUAZSFCS-QMMMGPOBSA-N 0 3 282.348 -1.080 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CN(C)CCO1 ZINC001125213906 779724172 /nfs/dbraw/zinc/72/41/72/779724172.db2.gz MQQVXEDZIFXOIV-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1nnn(C)c1C ZINC001125175146 779724230 /nfs/dbraw/zinc/72/42/30/779724230.db2.gz KWYMQFNYDSQHRB-ZETCQYMHSA-N 0 3 268.321 -1.423 20 0 CAADHN CC[C@@H](NCCNC(=O)c1nnn(C)c1C)C(N)=O ZINC001125184250 779724244 /nfs/dbraw/zinc/72/42/44/779724244.db2.gz DNEQYDZSROHQPT-MRVPVSSYSA-N 0 3 268.321 -1.293 20 0 CAADHN Cc1c(C(=O)NCCNCC(=O)NC2CC2)nnn1C ZINC001125175101 779724285 /nfs/dbraw/zinc/72/42/85/779724285.db2.gz IVBYKLHNUFVBAV-UHFFFAOYSA-N 0 3 280.332 -1.278 20 0 CAADHN Cc1c(C(=O)NCCNCC(=O)NC(N)=O)nnn1C ZINC001125174947 779724333 /nfs/dbraw/zinc/72/43/33/779724333.db2.gz AYCUIELCCMMEEH-UHFFFAOYSA-N 0 3 283.292 -2.362 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1nnn(C)c1C ZINC001125175131 779724420 /nfs/dbraw/zinc/72/44/20/779724420.db2.gz KDSGXHHEEHVIAE-UHFFFAOYSA-N 0 3 268.321 -1.421 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125220838 779724486 /nfs/dbraw/zinc/72/44/86/779724486.db2.gz KYHYUHAISZIVGZ-JTQLQIEISA-N 0 3 272.349 -1.889 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1nnn(C)c1C ZINC001125174967 779724491 /nfs/dbraw/zinc/72/44/91/779724491.db2.gz CDEHDPUWZLSHCP-UHFFFAOYSA-N 0 3 282.348 -1.031 20 0 CAADHN Cc1c(C(=O)NCCN[C@H]2CCNC2=O)nnn1C ZINC001125174943 779724572 /nfs/dbraw/zinc/72/45/72/779724572.db2.gz AUKRTIPDVDOUJS-QMMMGPOBSA-N 0 3 266.305 -1.669 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@H]1CN(C)CCO1 ZINC001125214382 779724581 /nfs/dbraw/zinc/72/45/81/779724581.db2.gz SAEDAHHVFQJARA-GFCCVEGCSA-N 0 3 281.360 -1.044 20 0 CAADHN Cn1[nH]c(CNCCNC(=O)[C@H]2CN(C)CCO2)nc1=O ZINC001125214931 779724608 /nfs/dbraw/zinc/72/46/08/779724608.db2.gz XVHNQSJRMGAHDS-SECBINFHSA-N 0 3 298.347 -2.355 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)/C=C/C1CC1 ZINC001125236727 779724615 /nfs/dbraw/zinc/72/46/15/779724615.db2.gz KZYRDDOAVJFWMH-ONEGZZNKSA-N 0 3 254.290 -1.147 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CN(C)CCO1)C(=O)N(C)C ZINC001125220872 779724767 /nfs/dbraw/zinc/72/47/67/779724767.db2.gz LTHVTDKWACXQAL-GHMZBOCLSA-N 0 3 286.376 -1.501 20 0 CAADHN Cc1c(C(=O)NCCN[C@@H]2CCN(C)C2=O)nnn1C ZINC001125185334 779724883 /nfs/dbraw/zinc/72/48/83/779724883.db2.gz XDQQRSMPKISQGW-SECBINFHSA-N 0 3 280.332 -1.326 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@@H]2CN(C)CCO2)cn1 ZINC001125213347 779724959 /nfs/dbraw/zinc/72/49/59/779724959.db2.gz GEKYWWJZFNDIKK-LBPRGKRZSA-N 0 3 281.360 -1.044 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H]1CN(CCCO)CCCO1 ZINC001149159765 779735382 /nfs/dbraw/zinc/73/53/82/779735382.db2.gz LTTVOEJPIANKAW-LLVKDONJSA-N 0 3 298.347 -1.737 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001140115658 779736505 /nfs/dbraw/zinc/73/65/05/779736505.db2.gz BKEDSZCECKWMSV-GUBZILKMSA-N 0 3 296.327 -1.748 20 0 CAADHN CN(C)CCn1nccc1C(=O)NC[C@@H](O)C(N)=O ZINC001139833285 779737016 /nfs/dbraw/zinc/73/70/16/779737016.db2.gz HCLWZKRHODRMIS-SECBINFHSA-N 0 3 269.305 -1.979 20 0 CAADHN C[C@@]1(CC(=O)NCCNCC(N)=O)CCS(=O)(=O)N1 ZINC001149105078 779745258 /nfs/dbraw/zinc/74/52/58/779745258.db2.gz SIWPLQVQZXEPJB-JTQLQIEISA-N 0 3 292.361 -2.351 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)Cn1cnnn1 ZINC001142137383 779753031 /nfs/dbraw/zinc/75/30/31/779753031.db2.gz KEWWZCFXRBUBSW-SECBINFHSA-N 0 3 254.294 -1.538 20 0 CAADHN CN1CCC(CO)(NC(=O)Cn2nccn2)CC1 ZINC001142198113 779755924 /nfs/dbraw/zinc/75/59/24/779755924.db2.gz NHAIITZMYVCVFW-UHFFFAOYSA-N 0 3 253.306 -1.149 20 0 CAADHN CC(C)N(C)CC(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001142590996 779760572 /nfs/dbraw/zinc/76/05/72/779760572.db2.gz XHULFJIYEMCVJK-OUAUKWLOSA-N 0 3 256.354 -2.154 20 0 CAADHN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@@H]1CN(C)C ZINC001143031851 779765861 /nfs/dbraw/zinc/76/58/61/779765861.db2.gz XCPKFYNNEOUJEC-XQQFMLRXSA-N 0 3 299.371 -1.243 20 0 CAADHN CN(C[C@H](O)CO)C(=O)CCN1CCN(C)CC1 ZINC001143225218 779769061 /nfs/dbraw/zinc/76/90/61/779769061.db2.gz UZVJLHKBWMUSIA-NSHDSACASA-N 0 3 259.350 -1.565 20 0 CAADHN CN1CCN(CCC(=O)NC[C@@H]2CNC(=O)CO2)CC1 ZINC001143236517 779769170 /nfs/dbraw/zinc/76/91/70/779769170.db2.gz JTKJTPOOPJHGQR-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN CN1CCN(CCC(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)CC1 ZINC001143238530 779769322 /nfs/dbraw/zinc/76/93/22/779769322.db2.gz ZBVLNIUOQWJGOV-AGIUHOORSA-N 0 3 297.407 -2.857 20 0 CAADHN CN1CCN(CCC(=O)N2CCN(C)C(=O)C2)CC1 ZINC001143224246 779769424 /nfs/dbraw/zinc/76/94/24/779769424.db2.gz PYPMDUFAKOPPRO-UHFFFAOYSA-N 0 3 268.361 -1.076 20 0 CAADHN CN1CCN(CCC(=O)NC[C@@H]2CNC(=O)O2)CC1 ZINC001143238364 779769539 /nfs/dbraw/zinc/76/95/39/779769539.db2.gz PXXFGZIETJIXPK-SNVBAGLBSA-N 0 3 270.333 -1.152 20 0 CAADHN CN1CCN(CCC(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)CC1 ZINC001143238534 779769774 /nfs/dbraw/zinc/76/97/74/779769774.db2.gz ZBVLNIUOQWJGOV-FRRDWIJNSA-N 0 3 297.407 -2.857 20 0 CAADHN CC(=O)N1CC(NC(=O)CCN2CCN(C)CC2)C1 ZINC001143237846 779769983 /nfs/dbraw/zinc/76/99/83/779769983.db2.gz SWWNPORTCXRBCI-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN CN1CCN(CCC(=O)NC2CN(C3COC3)C2)CC1 ZINC001143237375 779770005 /nfs/dbraw/zinc/77/00/05/779770005.db2.gz MBAVSTCSFDXIIL-UHFFFAOYSA-N 0 3 282.388 -1.177 20 0 CAADHN CN1CCN(CCC(=O)NC2CC(CO)(CO)C2)CC1 ZINC001143236595 779770122 /nfs/dbraw/zinc/77/01/22/779770122.db2.gz MUPMWOLTIIBACS-UHFFFAOYSA-N 0 3 285.388 -1.127 20 0 CAADHN CN1CCN(CCC(=O)N[C@H]2COCC[C@@H]2O)CC1 ZINC001143236735 779770237 /nfs/dbraw/zinc/77/02/37/779770237.db2.gz SIHODKRDTJQSRF-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCN(CCC(=O)N2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC001143225059 779770316 /nfs/dbraw/zinc/77/03/16/779770316.db2.gz NIJMMSADSBGJSB-QWHCGFSZSA-N 0 3 285.388 -1.174 20 0 CAADHN CN1CCN(CCC(=O)NC[C@H]2CNC(=O)CO2)CC1 ZINC001143236518 779770362 /nfs/dbraw/zinc/77/03/62/779770362.db2.gz JTKJTPOOPJHGQR-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN CN1CCN(CCC(=O)N[C@H]2CCC(=O)NC2=O)CC1 ZINC001143236619 779770378 /nfs/dbraw/zinc/77/03/78/779770378.db2.gz NXKQQKVAQFUVBH-JTQLQIEISA-N 0 3 282.344 -1.455 20 0 CAADHN COc1c(C(=O)NCCN[C@H]2CCNC2=O)cnn1C ZINC001149201774 779774779 /nfs/dbraw/zinc/77/47/79/779774779.db2.gz DBHNKICKYJOECD-VIFPVBQESA-N 0 3 281.316 -1.363 20 0 CAADHN CC(=O)N(C)CCCC(=O)NCCNCC(N)=O ZINC001149267865 779774888 /nfs/dbraw/zinc/77/48/88/779774888.db2.gz FWFMKHAJHLPZEA-UHFFFAOYSA-N 0 3 258.322 -1.564 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001149317602 779775252 /nfs/dbraw/zinc/77/52/52/779775252.db2.gz KSRLAXXPMMPAKQ-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN COc1c(C(=O)NCCNCC(=O)N(C)C)cnn1C ZINC001149194724 779775303 /nfs/dbraw/zinc/77/53/03/779775303.db2.gz FBBBLGZTZIYRMO-UHFFFAOYSA-N 0 3 283.332 -1.164 20 0 CAADHN CNC(=O)CNCCNC(=O)CO[C@@H](C)c1nccn1C ZINC001149288101 779775322 /nfs/dbraw/zinc/77/53/22/779775322.db2.gz WXALQOVJPOEDDF-JTQLQIEISA-N 0 3 297.359 -1.051 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCN(C(C)=O)C1)C(N)=O ZINC001149325122 779775948 /nfs/dbraw/zinc/77/59/48/779775948.db2.gz KYLOXMAJXQUDKK-MNOVXSKESA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001149318713 779776052 /nfs/dbraw/zinc/77/60/52/779776052.db2.gz YBNXRCLXQNKYHE-VXGBXAGGSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001149318690 779776113 /nfs/dbraw/zinc/77/61/13/779776113.db2.gz XTFUKFHJNZDEQW-SCZZXKLOSA-N 0 3 270.333 -1.566 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001149318693 779776154 /nfs/dbraw/zinc/77/61/54/779776154.db2.gz XTFUKFHJNZDEQW-WPRPVWTQSA-N 0 3 270.333 -1.566 20 0 CAADHN COCCn1cc(C(=O)NCCN[C@H]2CCNC2=O)cn1 ZINC001149338742 779776208 /nfs/dbraw/zinc/77/62/08/779776208.db2.gz JKYYPUBSXAUYMW-NSHDSACASA-N 0 3 295.343 -1.263 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnn(CCOC)c1 ZINC001149339025 779776307 /nfs/dbraw/zinc/77/63/07/779776307.db2.gz RBAAXWGXOXNWKK-JTQLQIEISA-N 0 3 297.359 -1.017 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c(C)nn(C)c1F ZINC001149358630 779776417 /nfs/dbraw/zinc/77/64/17/779776417.db2.gz SZFAIHGHPRBMRD-UHFFFAOYSA-N 0 3 271.296 -1.067 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001149318709 779776433 /nfs/dbraw/zinc/77/64/33/779776433.db2.gz YBNXRCLXQNKYHE-NWDGAFQWSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cccc(C(=O)NC)n1 ZINC001149463816 779778490 /nfs/dbraw/zinc/77/84/90/779778490.db2.gz HISURTKOFWEXRW-UHFFFAOYSA-N 0 3 293.327 -1.493 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149456344 779778672 /nfs/dbraw/zinc/77/86/72/779778672.db2.gz XQTHJKBMLGEZJE-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN COCCN1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149475662 779779204 /nfs/dbraw/zinc/77/92/04/779779204.db2.gz ZPKXATNRFAQQJZ-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001149455470 779779216 /nfs/dbraw/zinc/77/92/16/779779216.db2.gz OWCGNOVMTNHSGC-NSHDSACASA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149456341 779779265 /nfs/dbraw/zinc/77/92/65/779779265.db2.gz XQTHJKBMLGEZJE-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCCC(=O)N2C)C1=O ZINC001149477656 779779323 /nfs/dbraw/zinc/77/93/23/779779323.db2.gz VRNVBEBVOQXLEA-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCC(=O)N1C)C(N)=O ZINC001149463784 779779330 /nfs/dbraw/zinc/77/93/30/779779330.db2.gz GNCXJQZABGAAII-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCCC(=O)N2C)C1=O ZINC001149477655 779779339 /nfs/dbraw/zinc/77/93/39/779779339.db2.gz VRNVBEBVOQXLEA-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN O=C(CN1CN=NC1=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149565987 779779649 /nfs/dbraw/zinc/77/96/49/779779649.db2.gz IZVBNWRXUSBNBK-JTQLQIEISA-N 0 3 299.331 -1.817 20 0 CAADHN Cn1cncc1CCC(=O)NCCNCC(N)=O ZINC001149558699 779779741 /nfs/dbraw/zinc/77/97/41/779779741.db2.gz KCMRBOAMMLQOBM-UHFFFAOYSA-N 0 3 253.306 -1.456 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1cncn1C)C(N)=O ZINC001149565071 779779971 /nfs/dbraw/zinc/77/99/71/779779971.db2.gz XLZRVFYAQNTWOR-SECBINFHSA-N 0 3 267.333 -1.068 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001149529669 779780167 /nfs/dbraw/zinc/78/01/67/779780167.db2.gz CKWSUZHBZQVCLC-JTQLQIEISA-N 0 3 286.332 -2.315 20 0 CAADHN C[C@H](NCCNC(=O)CCc1cncn1C)C(N)=O ZINC001149565072 779780182 /nfs/dbraw/zinc/78/01/82/779780182.db2.gz XLZRVFYAQNTWOR-VIFPVBQESA-N 0 3 267.333 -1.068 20 0 CAADHN Cn1cncc1CCC(=O)NCCNCC(=O)NC(N)=O ZINC001149558767 779780359 /nfs/dbraw/zinc/78/03/59/779780359.db2.gz LNOUJBPEAJBKQM-UHFFFAOYSA-N 0 3 296.331 -1.747 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)NCCNCCF)C1 ZINC001149530445 779780375 /nfs/dbraw/zinc/78/03/75/779780375.db2.gz KTTTXWFOKGLIBI-SNVBAGLBSA-N 0 3 261.297 -1.091 20 0 CAADHN CNC(=O)CC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001149598989 779781004 /nfs/dbraw/zinc/78/10/04/779781004.db2.gz CIYMVHRDPHXQSY-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN Cc1nnc(CC(=O)NC[C@H]2CN(CCO)CCCO2)[nH]1 ZINC001149680787 779781324 /nfs/dbraw/zinc/78/13/24/779781324.db2.gz DCNSBOOPRFGVSD-NSHDSACASA-N 0 3 297.359 -1.145 20 0 CAADHN CNC(=O)CC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149598568 779781510 /nfs/dbraw/zinc/78/15/10/779781510.db2.gz BWTTXSLIIULCAZ-JTQLQIEISA-N 0 3 273.333 -1.678 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149622487 779781649 /nfs/dbraw/zinc/78/16/49/779781649.db2.gz AJVAYTXOBVPHOK-UWVGGRQHSA-N 0 3 288.348 -1.757 20 0 CAADHN CNC(=O)CC(=O)NC[C@@H]1CN(CCOC)CCCO1 ZINC001149599550 779781726 /nfs/dbraw/zinc/78/17/26/779781726.db2.gz IVDXMFYHNGGBCA-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(=O)[nH]c1 ZINC001149747397 779782457 /nfs/dbraw/zinc/78/24/57/779782457.db2.gz KBFVIKWHWPENEC-UHFFFAOYSA-N 0 3 252.274 -1.147 20 0 CAADHN O=C(Cn1nccn1)NC[C@H]1CN(CCO)CCCO1 ZINC001149803611 779782562 /nfs/dbraw/zinc/78/25/62/779782562.db2.gz AXBWUYAAWGYCSK-NSHDSACASA-N 0 3 283.332 -1.523 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1ccc(=O)[nH]c1 ZINC001149747845 779782571 /nfs/dbraw/zinc/78/25/71/779782571.db2.gz YJSAOJJXGURAHW-SECBINFHSA-N 0 3 264.285 -1.005 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149817085 779782628 /nfs/dbraw/zinc/78/26/28/779782628.db2.gz LRXKCQAOTXCDMU-JTQLQIEISA-N 0 3 288.348 -1.885 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149817086 779782877 /nfs/dbraw/zinc/78/28/77/779782877.db2.gz LRXKCQAOTXCDMU-SNVBAGLBSA-N 0 3 288.348 -1.885 20 0 CAADHN C[C@@H](O)CN1CCCO[C@@H](CNC(=O)Cn2nccn2)C1 ZINC001149796427 779782959 /nfs/dbraw/zinc/78/29/59/779782959.db2.gz KWOAQEHFZVBVPJ-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN C[C@H](O)CN1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149737980 779783376 /nfs/dbraw/zinc/78/33/76/779783376.db2.gz CNEBCNVFKYLMJE-WDEREUQCSA-N 0 3 298.347 -1.739 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H]1CN(CCO)CCCO1 ZINC001149737976 779783494 /nfs/dbraw/zinc/78/34/94/779783494.db2.gz BYQXXTDHOFSUEB-SNVBAGLBSA-N 0 3 284.320 -2.128 20 0 CAADHN Cc1ccnc2nc(C(=O)NCCN[C@H](C)C(N)=O)nn21 ZINC001149865729 779783566 /nfs/dbraw/zinc/78/35/66/779783566.db2.gz KFDKSQPCXKDTGX-MRVPVSSYSA-N 0 3 291.315 -1.374 20 0 CAADHN CCN1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149739379 779783609 /nfs/dbraw/zinc/78/36/09/779783609.db2.gz LJKQESZPBUKTDV-JTQLQIEISA-N 0 3 268.321 -1.100 20 0 CAADHN C[C@H](O)CN1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149796428 779783625 /nfs/dbraw/zinc/78/36/25/779783625.db2.gz KWOAQEHFZVBVPJ-NWDGAFQWSA-N 0 3 297.359 -1.134 20 0 CAADHN C[C@@H](O)CN1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149737977 779783641 /nfs/dbraw/zinc/78/36/41/779783641.db2.gz CNEBCNVFKYLMJE-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN C[C@]1(C(=O)NC[C@H]2CN(CCO)CCCO2)CNC(=O)C1 ZINC001150023930 779784726 /nfs/dbraw/zinc/78/47/26/779784726.db2.gz ZSHVYGDTLCVMNL-SMDDNHRTSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(CNC(=O)c1ccco1)NCCN[C@H]1CCNC1=O ZINC001149885084 779785087 /nfs/dbraw/zinc/78/50/87/779785087.db2.gz VZINBKIHVFLCPB-VIFPVBQESA-N 0 3 294.311 -1.396 20 0 CAADHN NC(=O)CNCCNC(=O)CCC(=O)N1CCOCC1 ZINC001150052125 779785103 /nfs/dbraw/zinc/78/51/03/779785103.db2.gz RRXUYDFVHMYIAI-UHFFFAOYSA-N 0 3 286.332 -2.184 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001150129884 779785578 /nfs/dbraw/zinc/78/55/78/779785578.db2.gz FRFOVKAYLZTLDL-ZETCQYMHSA-N 0 3 267.289 -2.027 20 0 CAADHN CCN1CCCO[C@@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001150077788 779785846 /nfs/dbraw/zinc/78/58/46/779785846.db2.gz BLHWRCNIVUYWHN-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150079620 779785980 /nfs/dbraw/zinc/78/59/80/779785980.db2.gz UGMCMUHBGVYFNC-WDEREUQCSA-N 0 3 287.360 -1.303 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001150129883 779786087 /nfs/dbraw/zinc/78/60/87/779786087.db2.gz FRFOVKAYLZTLDL-SSDOTTSWSA-N 0 3 267.289 -2.027 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(=O)n(C)n1 ZINC001150130776 779786916 /nfs/dbraw/zinc/78/69/16/779786916.db2.gz YXINHAHVXORCCX-UHFFFAOYSA-N 0 3 267.289 -2.154 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(-n2cnnn2)cc1 ZINC001150210032 779786719 /nfs/dbraw/zinc/78/67/19/779786719.db2.gz BQZFTQKRYBDASR-UHFFFAOYSA-N 0 3 289.299 -1.533 20 0 CAADHN Cn1nc(C(=O)NCCNCC(=O)NC2CC2)ccc1=O ZINC001150150364 779786814 /nfs/dbraw/zinc/78/68/14/779786814.db2.gz KMIABMCEIWSURO-UHFFFAOYSA-N 0 3 293.327 -1.622 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001150130386 779787199 /nfs/dbraw/zinc/78/71/99/779787199.db2.gz PIIVKGYRDPLQSJ-MRVPVSSYSA-N 0 3 281.316 -1.636 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1ccc(=O)n(C)n1 ZINC001150150377 779787301 /nfs/dbraw/zinc/78/73/01/779787301.db2.gz KQHLRLMTMJZENL-UHFFFAOYSA-N 0 3 295.343 -1.376 20 0 CAADHN Cn1nc(C(=O)NCCN[C@H]2CCCNC2=O)ccc1=O ZINC001150130209 779787369 /nfs/dbraw/zinc/78/73/69/779787369.db2.gz MQQCGMPIXNJMHL-VIFPVBQESA-N 0 3 293.327 -1.622 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccc(=O)n(C)n1 ZINC001150130566 779787548 /nfs/dbraw/zinc/78/75/48/779787548.db2.gz SHFUAWWKXYTEAO-UHFFFAOYSA-N 0 3 281.316 -1.812 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2ccc(=O)n(C)n2)C1=O ZINC001150137325 779787557 /nfs/dbraw/zinc/78/75/57/779787557.db2.gz MISUNONIEBFXAQ-SNVBAGLBSA-N 0 3 293.327 -1.670 20 0 CAADHN COC[C@H](C)N1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150234373 779788204 /nfs/dbraw/zinc/78/82/04/779788204.db2.gz SEAMVEQREUOINX-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CCCNC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150243984 779788381 /nfs/dbraw/zinc/78/83/81/779788381.db2.gz QFVZRTNCHUDKMY-UHFFFAOYSA-N 0 3 268.321 -1.490 20 0 CAADHN C[C@H](O)CN1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150219634 779788408 /nfs/dbraw/zinc/78/84/08/779788408.db2.gz PQRDOSODJATIMY-IUCAKERBSA-N 0 3 259.306 -1.940 20 0 CAADHN C[C@H](NCCNC(=O)Cn1cncn1)C(=O)N(C)C ZINC001150243571 779788437 /nfs/dbraw/zinc/78/84/37/779788437.db2.gz DISUNNMNLOGCML-VIFPVBQESA-N 0 3 268.321 -1.539 20 0 CAADHN CO[C@H](C)CN1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150220434 779788481 /nfs/dbraw/zinc/78/84/81/779788481.db2.gz WHZRAVHCCCBKLS-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cn1cncn1 ZINC001150250002 779788614 /nfs/dbraw/zinc/78/86/14/779788614.db2.gz LWRNQYBTBGHYMX-QMMMGPOBSA-N 0 3 297.319 -2.172 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150249993 779788716 /nfs/dbraw/zinc/78/87/16/779788716.db2.gz LIFVERIAKGCVOU-UHFFFAOYSA-N 0 3 282.348 -1.101 20 0 CAADHN C[C@@H](O)CN1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150219636 779789000 /nfs/dbraw/zinc/78/90/00/779789000.db2.gz PQRDOSODJATIMY-RKDXNWHRSA-N 0 3 259.306 -1.940 20 0 CAADHN CCN(C(=O)CNCCNC(=O)Cn1cncn1)C1CC1 ZINC001150249730 779789076 /nfs/dbraw/zinc/78/90/76/779789076.db2.gz AUTNDRISTGKPPC-UHFFFAOYSA-N 0 3 294.359 -1.005 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)Cn1cncn1 ZINC001150249780 779789207 /nfs/dbraw/zinc/78/92/07/779789207.db2.gz CWKKRULQKFYBPC-UHFFFAOYSA-N 0 3 294.359 -1.148 20 0 CAADHN O=C(Cn1cncn1)NCCN[C@H]1CCC(=O)NC1=O ZINC001150244165 779789260 /nfs/dbraw/zinc/78/92/60/779789260.db2.gz WYEBRJNKIOGJLC-QMMMGPOBSA-N 0 3 280.288 -2.211 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cn1cncn1 ZINC001150244227 779789304 /nfs/dbraw/zinc/78/93/04/779789304.db2.gz YNJCGPDVROKXRD-UHFFFAOYSA-N 0 3 290.349 -2.467 20 0 CAADHN C[C@@H](NCCNC(=O)CCNC(=O)c1ccco1)C(N)=O ZINC001150250349 779789750 /nfs/dbraw/zinc/78/97/50/779789750.db2.gz SKVBZYQOHDFKPB-SECBINFHSA-N 0 3 296.327 -1.021 20 0 CAADHN Cc1ccccc1C(=O)NCC(=O)NCCNCC(N)=O ZINC001150270567 779789838 /nfs/dbraw/zinc/78/98/38/779789838.db2.gz HIGFXDFAYRRANF-UHFFFAOYSA-N 0 3 292.339 -1.084 20 0 CAADHN C[C@H](O)CN1CCCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150254087 779789868 /nfs/dbraw/zinc/78/98/68/779789868.db2.gz KHCOPJDCUMQIRU-QWRGUYRKSA-N 0 3 299.371 -1.160 20 0 CAADHN NC(=O)CNCCNC(=O)CCNC(=O)c1ccco1 ZINC001150293006 779789887 /nfs/dbraw/zinc/78/98/87/779789887.db2.gz OQYUOMKRDONHBL-UHFFFAOYSA-N 0 3 282.300 -1.409 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1cncn1)C(=O)NC(N)=O ZINC001150250401 779789938 /nfs/dbraw/zinc/78/99/38/779789938.db2.gz VGLMBRADVQHEAF-SSDOTTSWSA-N 0 3 283.292 -2.433 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150250161 779789965 /nfs/dbraw/zinc/78/99/65/779789965.db2.gz PILZHKHTEGNDTC-UHFFFAOYSA-N 0 3 298.347 -1.863 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)Cn1cncn1 ZINC001150260163 779789979 /nfs/dbraw/zinc/78/99/79/779789979.db2.gz FEKJETNTCVKHNL-UHFFFAOYSA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@H](NCCNC(=O)CCNC(=O)c1ccco1)C(N)=O ZINC001150250350 779790350 /nfs/dbraw/zinc/79/03/50/779790350.db2.gz SKVBZYQOHDFKPB-VIFPVBQESA-N 0 3 296.327 -1.021 20 0 CAADHN Cn1nccc1CNCCNC(=O)Cn1cncn1 ZINC001150260798 779790505 /nfs/dbraw/zinc/79/05/05/779790505.db2.gz HAHAVAKLCDXUGQ-UHFFFAOYSA-N 0 3 263.305 -1.082 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)Cn2cncn2)C1=O ZINC001150250428 779790566 /nfs/dbraw/zinc/79/05/66/779790566.db2.gz WEDULLHYVKLDIE-LLVKDONJSA-N 0 3 294.359 -1.007 20 0 CAADHN COC[C@H](OC)C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150283266 779790665 /nfs/dbraw/zinc/79/06/65/779790665.db2.gz SQMDFPJDRWJKTR-RYUDHWBXSA-N 0 3 290.360 -1.153 20 0 CAADHN C[C@@H](NCCNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001150325816 779791292 /nfs/dbraw/zinc/79/12/92/779791292.db2.gz ZSNYNEKDVJLHSF-ZCFIWIBFSA-N 0 3 271.277 -2.882 20 0 CAADHN Cn1cc(CNCCNC(=O)CN2C(=O)CNC2=O)cn1 ZINC001150345504 779791315 /nfs/dbraw/zinc/79/13/15/779791315.db2.gz VSKAZBVDBADYIK-UHFFFAOYSA-N 0 3 294.315 -1.822 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1C(=O)CNC1=O ZINC001150338975 779791615 /nfs/dbraw/zinc/79/16/15/779791615.db2.gz HUBJVZZCEHUTAO-UHFFFAOYSA-N 0 3 271.277 -3.010 20 0 CAADHN C[C@H](NCCNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001150325815 779791750 /nfs/dbraw/zinc/79/17/50/779791750.db2.gz ZSNYNEKDVJLHSF-LURJTMIESA-N 0 3 271.277 -2.882 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1C(=O)CNC1=O ZINC001150339927 779791846 /nfs/dbraw/zinc/79/18/46/779791846.db2.gz TUZIVJPZYMNMEQ-SSDOTTSWSA-N 0 3 285.304 -2.622 20 0 CAADHN CNC(=O)CNCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150400012 779792421 /nfs/dbraw/zinc/79/24/21/779792421.db2.gz KMLBXMJWFMJFHX-ZETCQYMHSA-N 0 3 285.304 -2.574 20 0 CAADHN CC[C@H](NCCNC(=O)CN1C(=O)CN(C)C1=O)C(N)=O ZINC001150355826 779792823 /nfs/dbraw/zinc/79/28/23/779792823.db2.gz DIDVVAFRYJMPIZ-QMMMGPOBSA-N 0 3 299.331 -2.150 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCCCCC1=O)C(N)=O ZINC001150371865 779792979 /nfs/dbraw/zinc/79/29/79/779792979.db2.gz AQTSDLVZKHXZPG-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)CNCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150400011 779793063 /nfs/dbraw/zinc/79/30/63/779793063.db2.gz KMLBXMJWFMJFHX-SSDOTTSWSA-N 0 3 285.304 -2.574 20 0 CAADHN NC(=O)NCCC(=O)NCCNCC(=O)N1CCC1 ZINC001150415064 779793329 /nfs/dbraw/zinc/79/33/29/779793329.db2.gz SLRFRXBGYUBCJY-UHFFFAOYSA-N 0 3 271.321 -2.017 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1C(=O)CNC1=O ZINC001150349819 779793384 /nfs/dbraw/zinc/79/33/84/779793384.db2.gz IRRKVXTTWWVOET-UHFFFAOYSA-N 0 3 285.304 -2.620 20 0 CAADHN C[C@H](NCCNC(=O)CN1C(=O)CCC1=O)C(N)=O ZINC001150466182 779795290 /nfs/dbraw/zinc/79/52/90/779795290.db2.gz JKMKEYRPTWIKRY-ZETCQYMHSA-N 0 3 270.289 -2.285 20 0 CAADHN O=C(CNCCNC(=O)CN1C(=O)CCC1=O)NC1CC1 ZINC001150472985 779795299 /nfs/dbraw/zinc/79/52/99/779795299.db2.gz NWZQSENRRALQEJ-UHFFFAOYSA-N 0 3 296.327 -1.880 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1nccnc1C(N)=O ZINC001150444502 779795855 /nfs/dbraw/zinc/79/58/55/779795855.db2.gz PMWLLKNBQCIQOW-UHFFFAOYSA-N 0 3 294.315 -2.017 20 0 CAADHN O=C(CN1C(=O)CCC1=O)NCCN[C@H]1CCCNC1=O ZINC001150473379 779796069 /nfs/dbraw/zinc/79/60/69/779796069.db2.gz QTWKEDAZHWVAQH-VIFPVBQESA-N 0 3 296.327 -1.880 20 0 CAADHN O=C(CN1C(=O)CCC1=O)NCCN[C@@H]1CCNC1=O ZINC001150471868 779796197 /nfs/dbraw/zinc/79/61/97/779796197.db2.gz ACIAOVOLUBYTAK-MRVPVSSYSA-N 0 3 282.300 -2.270 20 0 CAADHN O=C(CN1C(=O)CCC1=O)NCCNCC(=O)N1CCC1 ZINC001150474025 779796216 /nfs/dbraw/zinc/79/62/16/779796216.db2.gz ZMOGOYXLQUVPTO-UHFFFAOYSA-N 0 3 296.327 -1.927 20 0 CAADHN Cn1cc(CNCCNC(=O)CN2C(=O)CCC2=O)cn1 ZINC001150472580 779796297 /nfs/dbraw/zinc/79/62/97/779796297.db2.gz JYYRKLABJAAUFJ-UHFFFAOYSA-N 0 3 293.327 -1.225 20 0 CAADHN CNC(=O)CNCCNC(=O)c1nccnc1C(N)=O ZINC001150445001 779796321 /nfs/dbraw/zinc/79/63/21/779796321.db2.gz XZKCBSYDPYFOPW-UHFFFAOYSA-N 0 3 280.288 -2.359 20 0 CAADHN O=C(Cn1ccccc1=O)NCCN[C@@H]1CCCNC1=O ZINC001150597014 779796855 /nfs/dbraw/zinc/79/68/55/779796855.db2.gz IOAVWNDPUUAGFT-LLVKDONJSA-N 0 3 292.339 -1.167 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1ccccc1=O)C(N)=O ZINC001150604066 779797022 /nfs/dbraw/zinc/79/70/22/779797022.db2.gz PHCDQCVZMVGHJE-JTQLQIEISA-N 0 3 280.328 -1.182 20 0 CAADHN CC(=O)N1CCC(C(=O)NCCN[C@H]2CCNC2=O)CC1 ZINC001150525927 779797297 /nfs/dbraw/zinc/79/72/97/779797297.db2.gz LMNXPINWYMREPG-LBPRGKRZSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCC1CC1)C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150515411 779797331 /nfs/dbraw/zinc/79/73/31/779797331.db2.gz BURLUKFEWZGJMV-LBPRGKRZSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1ccccc1=O ZINC001150603129 779797950 /nfs/dbraw/zinc/79/79/50/779797950.db2.gz BNXDJVRRVLIYCX-SNVBAGLBSA-N 0 3 280.328 -1.311 20 0 CAADHN O=C(Cn1ccccc1=O)NCCNCC(=O)NC1CC1 ZINC001150590044 779797960 /nfs/dbraw/zinc/79/79/60/779797960.db2.gz OJHKCGYAHUVZFD-UHFFFAOYSA-N 0 3 292.339 -1.167 20 0 CAADHN O=C(Cn1ccccc1=O)NCCN[C@H]1CCCNC1=O ZINC001150597015 779798002 /nfs/dbraw/zinc/79/80/02/779798002.db2.gz IOAVWNDPUUAGFT-NSHDSACASA-N 0 3 292.339 -1.167 20 0 CAADHN CCN1CCCO[C@@H](CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001150684772 779798481 /nfs/dbraw/zinc/79/84/81/779798481.db2.gz ADKYUEYZDOGUMW-JTQLQIEISA-N 0 3 298.343 -1.235 20 0 CAADHN C[C@@H](O)CN1CCCO[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001150699824 779798668 /nfs/dbraw/zinc/79/86/68/779798668.db2.gz NZFQBIINRYMLAO-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN CCCn1nc(C(=O)NCCNCC(=O)NC)ccc1=O ZINC001150676845 779798882 /nfs/dbraw/zinc/79/88/82/779798882.db2.gz DPVFZLIEBILJJG-UHFFFAOYSA-N 0 3 295.343 -1.281 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@H]2CCNC2=O)cc1 ZINC001150754002 779798907 /nfs/dbraw/zinc/79/89/07/779798907.db2.gz XNTAQHZZSBKWOQ-NSHDSACASA-N 0 3 290.323 -1.007 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(C(N)=O)cc1)C(N)=O ZINC001150759276 779798936 /nfs/dbraw/zinc/79/89/36/779798936.db2.gz NMNQFHZOWSKFKK-MRVPVSSYSA-N 0 3 278.312 -1.021 20 0 CAADHN Cc1csc(=O)n1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001150788552 779799108 /nfs/dbraw/zinc/79/91/08/779799108.db2.gz JPGSHNOXFGAENK-QMMMGPOBSA-N 0 3 286.357 -1.202 20 0 CAADHN Cc1csc(=O)n1CC(=O)NCCN[C@H]1CCNC1=O ZINC001150793780 779799126 /nfs/dbraw/zinc/79/91/26/779799126.db2.gz IDXLPAABKAZQIQ-VIFPVBQESA-N 0 3 298.368 -1.187 20 0 CAADHN NC(=O)NCCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150691776 779799175 /nfs/dbraw/zinc/79/91/75/779799175.db2.gz GEMNAIZJHNXASB-JTQLQIEISA-N 0 3 288.348 -1.756 20 0 CAADHN O=C(CNCCNC(=O)C1CC1)N1CCOCC1 ZINC000130770313 779799319 /nfs/dbraw/zinc/79/93/19/779799319.db2.gz PTTVXEJQNFXSGN-UHFFFAOYSA-N 0 3 255.318 -1.039 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc2n[nH]nc2c1 ZINC001150703458 779799515 /nfs/dbraw/zinc/79/95/15/779799515.db2.gz MALOFGRKXNTIMW-UHFFFAOYSA-N 0 3 262.273 -1.237 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(C(N)=O)cc1 ZINC001150753917 779799718 /nfs/dbraw/zinc/79/97/18/779799718.db2.gz UFEMUOYZXRQYCF-UHFFFAOYSA-N 0 3 278.312 -1.149 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNC(=O)C(C)(C)C ZINC001150829447 779800031 /nfs/dbraw/zinc/80/00/31/779800031.db2.gz SHJDKXAFUXSVMV-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCNC2=O)c(=O)[nH]c1=O ZINC001150978667 779800480 /nfs/dbraw/zinc/80/04/80/779800480.db2.gz XNMDBBWQDFKGIE-QMMMGPOBSA-N 0 3 295.299 -2.306 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150984316 779800732 /nfs/dbraw/zinc/80/07/32/779800732.db2.gz QSAHSRFGWGVGHB-SSDOTTSWSA-N 0 3 297.315 -2.060 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCNC2=O)c(=O)[nH]c1=O ZINC001150978664 779800788 /nfs/dbraw/zinc/80/07/88/779800788.db2.gz XNMDBBWQDFKGIE-MRVPVSSYSA-N 0 3 295.299 -2.306 20 0 CAADHN CC[C@@H](NCCNC(=O)C(=O)Nc1cc(C)on1)C(N)=O ZINC001150967439 779800866 /nfs/dbraw/zinc/80/08/66/779800866.db2.gz NYJBACQDCDCJHX-MRVPVSSYSA-N 0 3 297.315 -1.109 20 0 CAADHN Cc1nc(C)c(CC(=O)NCCNCC(N)=O)c(=O)[nH]1 ZINC001150977623 779800881 /nfs/dbraw/zinc/80/08/81/779800881.db2.gz JFYWWSCJVZIXJH-UHFFFAOYSA-N 0 3 281.316 -1.467 20 0 CAADHN CC[C@H](NCCNC(=O)C(=O)Nc1cc(C)on1)C(N)=O ZINC001150967440 779800916 /nfs/dbraw/zinc/80/09/16/779800916.db2.gz NYJBACQDCDCJHX-QMMMGPOBSA-N 0 3 297.315 -1.109 20 0 CAADHN Cc1nccn1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001151147824 779804043 /nfs/dbraw/zinc/80/40/43/779804043.db2.gz YQLGGTXQZCTXGR-SNVBAGLBSA-N 0 3 265.317 -1.214 20 0 CAADHN Cn1ccc(C(=O)NCCNCC(=O)N2CCC2)n1 ZINC001151084716 779804254 /nfs/dbraw/zinc/80/42/54/779804254.db2.gz SRZVLNDNMSAAJP-UHFFFAOYSA-N 0 3 265.317 -1.028 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NCCN[C@@H](C)C(N)=O ZINC001151156330 779804297 /nfs/dbraw/zinc/80/42/97/779804297.db2.gz ALCKVJROOZCCGV-MNOVXSKESA-N 0 3 286.376 -1.466 20 0 CAADHN Cc1nccn1CC(=O)NCCNCC(=O)N(C)C ZINC001151115571 779804645 /nfs/dbraw/zinc/80/46/45/779804645.db2.gz YGIVUPCYOSPXIX-UHFFFAOYSA-N 0 3 267.333 -1.014 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NCCN[C@H](C)C(N)=O ZINC001151156328 779804765 /nfs/dbraw/zinc/80/47/65/779804765.db2.gz ALCKVJROOZCCGV-GHMZBOCLSA-N 0 3 286.376 -1.466 20 0 CAADHN Cc1nccn1CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001151147768 779805159 /nfs/dbraw/zinc/80/51/59/779805159.db2.gz VLOIQZBPUYHUDA-MRVPVSSYSA-N 0 3 296.331 -1.519 20 0 CAADHN Cc1nccn1CC(=O)NCCN[C@H]1CCNC1=O ZINC001151147823 779805248 /nfs/dbraw/zinc/80/52/48/779805248.db2.gz YQLGGTXQZCTXGR-JTQLQIEISA-N 0 3 265.317 -1.214 20 0 CAADHN C[C@@H](NCCNC(=O)c1c[nH]c(C(N)=O)c1)C(=O)N(C)C ZINC001151177808 779806241 /nfs/dbraw/zinc/80/62/41/779806241.db2.gz DODQTYLMEQMNBF-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN CC[C@@H](NCCNC(=O)c1c[nH]c(C(N)=O)c1)C(N)=O ZINC001151185579 779806451 /nfs/dbraw/zinc/80/64/51/779806451.db2.gz ZRYXJLVAVPXNDD-MRVPVSSYSA-N 0 3 281.316 -1.303 20 0 CAADHN NC(=O)c1cc(C(=O)NCCNCC(=O)N2CCC2)c[nH]1 ZINC001151174459 779806503 /nfs/dbraw/zinc/80/65/03/779806503.db2.gz UBKIGRRDKWRFFG-UHFFFAOYSA-N 0 3 293.327 -1.335 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151174643 779806519 /nfs/dbraw/zinc/80/65/19/779806519.db2.gz WYIYBWUIGBTLCN-UHFFFAOYSA-N 0 3 296.287 -2.372 20 0 CAADHN CC[C@H](NCCNC(=O)c1c[nH]c(C(N)=O)c1)C(N)=O ZINC001151185580 779806728 /nfs/dbraw/zinc/80/67/28/779806728.db2.gz ZRYXJLVAVPXNDD-QMMMGPOBSA-N 0 3 281.316 -1.303 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151179185 779806782 /nfs/dbraw/zinc/80/67/82/779806782.db2.gz QHOXICZBZNEINH-ZETCQYMHSA-N 0 3 281.316 -1.433 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151299170 779807368 /nfs/dbraw/zinc/80/73/68/779807368.db2.gz BNFHDRDPKRHTBS-MRVPVSSYSA-N 0 3 292.361 -2.480 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCS(=O)(=O)N1)C(N)=O ZINC001151301841 779807380 /nfs/dbraw/zinc/80/73/80/779807380.db2.gz WWZZPIBTFDKLDO-NKWVEPMBSA-N 0 3 278.334 -2.742 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cncc(C(N)=O)c1 ZINC001151293220 779807492 /nfs/dbraw/zinc/80/74/92/779807492.db2.gz RDPSWONFKGZLPB-UHFFFAOYSA-N 0 3 293.327 -1.364 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCS(=O)(=O)N1)C(N)=O ZINC001151301836 779807883 /nfs/dbraw/zinc/80/78/83/779807883.db2.gz WWZZPIBTFDKLDO-BQBZGAKWSA-N 0 3 278.334 -2.742 20 0 CAADHN O=C(NCCNCc1cccnc1)[C@H]1CCS(=O)(=O)N1 ZINC001151301689 779807943 /nfs/dbraw/zinc/80/79/43/779807943.db2.gz VRMLBHRTNKDNJT-LLVKDONJSA-N 0 3 298.368 -1.021 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cncc(C(N)=O)c1 ZINC001151293039 779808066 /nfs/dbraw/zinc/80/80/66/779808066.db2.gz OHTOKDILROLJGS-UHFFFAOYSA-N 0 3 293.327 -1.412 20 0 CAADHN Cc1nccc(C(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001151324137 779808333 /nfs/dbraw/zinc/80/83/33/779808333.db2.gz HUTYQBSGKQHGEG-ZETCQYMHSA-N 0 3 251.290 -1.022 20 0 CAADHN CC[C@H](C)C(=O)NCC(=O)NCCN[C@@H](C)C(N)=O ZINC001151345695 779808389 /nfs/dbraw/zinc/80/83/89/779808389.db2.gz IGOKPOXRYDUVMU-IUCAKERBSA-N 0 3 272.349 -1.272 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccnc(C)n1 ZINC001151325743 779808680 /nfs/dbraw/zinc/80/86/80/779808680.db2.gz XYGCYCQCVAVBMA-UHFFFAOYSA-N 0 3 294.315 -1.440 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cncc(C(N)=O)c1)C(N)=O ZINC001151318117 779808756 /nfs/dbraw/zinc/80/87/56/779808756.db2.gz KJZLMCVMQMOTJJ-SNVBAGLBSA-N 0 3 293.327 -1.236 20 0 CAADHN NC(=O)c1cncc(C(=O)NCCN[C@H]2CCNC2=O)c1 ZINC001151317901 779808834 /nfs/dbraw/zinc/80/88/34/779808834.db2.gz AAYLQAJCAHVFCN-JTQLQIEISA-N 0 3 291.311 -1.612 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cncc(C(N)=O)c1 ZINC001151317913 779808903 /nfs/dbraw/zinc/80/89/03/779808903.db2.gz AGESQLKLINYESW-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN NC(=O)CNCCNC(=O)CCN1CCCC1=O ZINC001151354749 779808983 /nfs/dbraw/zinc/80/89/83/779808983.db2.gz TVAVNWFYAQOYOI-UHFFFAOYSA-N 0 3 256.306 -1.810 20 0 CAADHN CC[C@H](NCCNC(=O)c1cncc(C(N)=O)c1)C(N)=O ZINC001151318116 779809166 /nfs/dbraw/zinc/80/91/66/779809166.db2.gz KJZLMCVMQMOTJJ-JTQLQIEISA-N 0 3 293.327 -1.236 20 0 CAADHN CC[C@H](C)C(=O)NCC(=O)NCCNCC(=O)NC ZINC001151365935 779809198 /nfs/dbraw/zinc/80/91/98/779809198.db2.gz GCOJAHHECKZHMX-VIFPVBQESA-N 0 3 272.349 -1.400 20 0 CAADHN O=C(CCN1CCCC1=O)NCCN[C@@H]1CCNC1=O ZINC001151354690 779809240 /nfs/dbraw/zinc/80/92/40/779809240.db2.gz QGRJTKDSLKFISX-SNVBAGLBSA-N 0 3 282.344 -1.407 20 0 CAADHN CC[C@H](C)C(=O)NCC(=O)NCCNCC(=O)N(C)C ZINC001151366506 779809332 /nfs/dbraw/zinc/80/93/32/779809332.db2.gz OBWSVWQAYZLLEB-JTQLQIEISA-N 0 3 286.376 -1.057 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CS(=O)(=O)NC ZINC001151379497 779810138 /nfs/dbraw/zinc/81/01/38/779810138.db2.gz HMZRSHGNUQSIHG-UHFFFAOYSA-N 0 3 294.377 -2.232 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001151390477 779810409 /nfs/dbraw/zinc/81/04/09/779810409.db2.gz HJLDKQFSULULAV-MRVPVSSYSA-N 0 3 292.361 -2.528 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)c1ccsc1 ZINC001151472294 779810546 /nfs/dbraw/zinc/81/05/46/779810546.db2.gz VBTYEIWMTJXXEV-UHFFFAOYSA-N 0 3 284.341 -1.331 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCNCC(N)=O ZINC001151379460 779810614 /nfs/dbraw/zinc/81/06/14/779810614.db2.gz FVEMGABKVVJRMI-UHFFFAOYSA-N 0 3 252.296 -3.273 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCN1CCCC1=O ZINC001151379485 779810661 /nfs/dbraw/zinc/81/06/61/779810661.db2.gz GZTZMMKOHAOUMR-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN[C@H]1CCCNC1=O ZINC001151379563 779810808 /nfs/dbraw/zinc/81/08/08/779810808.db2.gz KCUFXUUTIWDCJM-QMMMGPOBSA-N 0 3 292.361 -2.480 20 0 CAADHN CC(C)(C)NS(=O)(=O)CC(=O)NCCNCC(N)=O ZINC001151385625 779810879 /nfs/dbraw/zinc/81/08/79/779810879.db2.gz DVMKHLSSTSHFDA-UHFFFAOYSA-N 0 3 294.377 -2.105 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCN1CCCC1=O ZINC001151379486 779810932 /nfs/dbraw/zinc/81/09/32/779810932.db2.gz GZTZMMKOHAOUMR-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001151586790 779811627 /nfs/dbraw/zinc/81/16/27/779811627.db2.gz MWUQEQFTWCAIAK-PSASIEDQSA-N 0 3 286.332 -2.187 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)NCCNCCF ZINC001151585327 779811738 /nfs/dbraw/zinc/81/17/38/779811738.db2.gz BZNKJTJCZFIBFT-SNVBAGLBSA-N 0 3 261.297 -1.091 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001151587114 779811966 /nfs/dbraw/zinc/81/19/66/779811966.db2.gz QKSKUSMOMHSODY-QWRGUYRKSA-N 0 3 298.343 -2.172 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1COCCN1C(C)=O ZINC001151585865 779812015 /nfs/dbraw/zinc/81/20/15/779812015.db2.gz FOQZOAIBXMICFJ-SNVBAGLBSA-N 0 3 286.332 -2.315 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001151587115 779812186 /nfs/dbraw/zinc/81/21/86/779812186.db2.gz QKSKUSMOMHSODY-WDEREUQCSA-N 0 3 298.343 -2.172 20 0 CAADHN CC[C@H](C(=O)NCCNCC(N)=O)N1CCCC1=O ZINC001151530381 779812209 /nfs/dbraw/zinc/81/22/09/779812209.db2.gz VCROSTXPWSOPSR-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1noc2c1COCC2 ZINC001151693922 779812699 /nfs/dbraw/zinc/81/26/99/779812699.db2.gz XYEAEWVSLIXYQJ-SECBINFHSA-N 0 3 294.311 -1.045 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001151715509 779812788 /nfs/dbraw/zinc/81/27/88/779812788.db2.gz DKJJFXCBUCSERZ-VIFPVBQESA-N 0 3 279.344 -1.034 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1nc(C2CC2)nn1C ZINC001151723710 779812812 /nfs/dbraw/zinc/81/28/12/779812812.db2.gz STTDRHIWQZIRBP-UHFFFAOYSA-N 0 3 294.359 -1.313 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001151737428 779812843 /nfs/dbraw/zinc/81/28/43/779812843.db2.gz CZTAZPOHHLEOMF-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001151707268 779813241 /nfs/dbraw/zinc/81/32/41/779813241.db2.gz CXRHYMNJUHRBTN-QMMMGPOBSA-N 0 3 265.317 -1.294 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001151707262 779813287 /nfs/dbraw/zinc/81/32/87/779813287.db2.gz CXRHYMNJUHRBTN-MRVPVSSYSA-N 0 3 265.317 -1.294 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001151737826 779813405 /nfs/dbraw/zinc/81/34/05/779813405.db2.gz FRNMHKLDJXGOBF-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)NC(=O)c1ccco1 ZINC001151661027 779813572 /nfs/dbraw/zinc/81/35/72/779813572.db2.gz YBKWNNNHCOODRZ-VIFPVBQESA-N 0 3 296.327 -1.150 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001151813975 779814241 /nfs/dbraw/zinc/81/42/41/779814241.db2.gz CSYKGSCZQGYLQS-GFCCVEGCSA-N 0 3 284.360 -1.712 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H](C1CC1)N1CCOCC1)C(N)=O ZINC001151815397 779814319 /nfs/dbraw/zinc/81/43/19/779814319.db2.gz UNLCIXKMPZGCGI-CMPLNLGQSA-N 0 3 298.387 -1.323 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1ccc[nH]1)C(=O)NC(N)=O ZINC001151775072 779814329 /nfs/dbraw/zinc/81/43/29/779814329.db2.gz LMNZFVPNJNUWRV-MRVPVSSYSA-N 0 3 281.316 -1.154 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CN(CC)CCO1)C(N)=O ZINC001151740249 779814560 /nfs/dbraw/zinc/81/45/60/779814560.db2.gz QZMNSTSCVAHRPN-GHMZBOCLSA-N 0 3 286.376 -1.323 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN[C@H](C)C(=O)NC)C1 ZINC001151740487 779814716 /nfs/dbraw/zinc/81/47/16/779814716.db2.gz UQHDZBMPJUFLDG-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCNCC(N)=O)C1 ZINC001151749351 779815080 /nfs/dbraw/zinc/81/50/80/779815080.db2.gz VUMBUXTZPHVKCO-SECBINFHSA-N 0 3 258.322 -2.102 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC)C1 ZINC001151740490 779815221 /nfs/dbraw/zinc/81/52/21/779815221.db2.gz UQHDZBMPJUFLDG-WDEREUQCSA-N 0 3 286.376 -1.453 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001151748695 779815476 /nfs/dbraw/zinc/81/54/76/779815476.db2.gz ICTOBBUIIJLHAH-LBPRGKRZSA-N 0 3 298.387 -1.309 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C1CC1)N1CCOCC1)C(N)=O ZINC001151815398 779815638 /nfs/dbraw/zinc/81/56/38/779815638.db2.gz UNLCIXKMPZGCGI-JQWIXIFHSA-N 0 3 298.387 -1.323 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cc1ccc[nH]1 ZINC001151774767 779815778 /nfs/dbraw/zinc/81/57/78/779815778.db2.gz FIGZZNNFPDIQEI-UHFFFAOYSA-N 0 3 288.373 -1.188 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001151739336 779816271 /nfs/dbraw/zinc/81/62/71/779816271.db2.gz KYWNPLRUQVNHCO-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cccnc1C(N)=O ZINC001151966908 779817216 /nfs/dbraw/zinc/81/72/16/779817216.db2.gz FZKJUBLJFHSPDK-UHFFFAOYSA-N 0 3 293.327 -1.412 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)c1ccccn1 ZINC001152066648 779818199 /nfs/dbraw/zinc/81/81/99/779818199.db2.gz JPIZWDXQKDHQMF-UHFFFAOYSA-N 0 3 279.300 -1.998 20 0 CAADHN NC(=O)CNCCNC(=O)c1cccnc1C(N)=O ZINC001151967789 779818433 /nfs/dbraw/zinc/81/84/33/779818433.db2.gz VSDLWEKWXCDSJP-UHFFFAOYSA-N 0 3 265.273 -2.015 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152155632 779819513 /nfs/dbraw/zinc/81/95/13/779819513.db2.gz KBMOXQMMPFSDTI-QMMMGPOBSA-N 0 3 266.305 -1.968 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001152091604 779819554 /nfs/dbraw/zinc/81/95/54/779819554.db2.gz RQPOJURVMWDOEO-JTQLQIEISA-N 0 3 294.359 -1.399 20 0 CAADHN Cc1nnc2n1C[C@@H](C(=O)NCCNCC(N)=O)CC2 ZINC001152091694 779819612 /nfs/dbraw/zinc/81/96/12/779819612.db2.gz SUVVASQBULCLFF-VIFPVBQESA-N 0 3 280.332 -1.660 20 0 CAADHN Cc1nnc2n1C[C@H](C(=O)NCCN[C@H](C)C(N)=O)CC2 ZINC001152097662 779819844 /nfs/dbraw/zinc/81/98/44/779819844.db2.gz RXECZZXAQDSOEF-PSASIEDQSA-N 0 3 294.359 -1.271 20 0 CAADHN CCOCCO[C@H](C)C(=O)NCCNCC(N)=O ZINC001152196160 779819912 /nfs/dbraw/zinc/81/99/12/779819912.db2.gz QXNTXEJRZBJYEW-SECBINFHSA-N 0 3 261.322 -1.381 20 0 CAADHN C[C@H](C(=O)NCCNCC(N)=O)N1CCCCC1=O ZINC001152169073 779819955 /nfs/dbraw/zinc/81/99/55/779819955.db2.gz HTBNWYGHHSELRN-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1cnn(C)c1)C(N)=O ZINC001152208617 779820021 /nfs/dbraw/zinc/82/00/21/779820021.db2.gz ONSMDXYILWTCKS-SECBINFHSA-N 0 3 267.333 -1.068 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCc2nncn2C1)C(N)=O ZINC001152156684 779820273 /nfs/dbraw/zinc/82/02/73/779820273.db2.gz PZRBUALURMXNID-DTWKUNHWSA-N 0 3 280.332 -1.580 20 0 CAADHN C[C@@H](C(=O)NCCN[C@H]1CCNC1=O)N1CCCCC1=O ZINC001152168003 779820321 /nfs/dbraw/zinc/82/03/21/779820321.db2.gz BQMMGBFQKSKCEL-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNCCNC(=O)CCS(=O)(=O)N(C)C ZINC001152084709 779820408 /nfs/dbraw/zinc/82/04/08/779820408.db2.gz UPWGEHWISWXZRQ-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152149071 779820603 /nfs/dbraw/zinc/82/06/03/779820603.db2.gz UDMSXMRYYPOGQF-SECBINFHSA-N 0 3 280.332 -1.708 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCNCC(=O)N(C)C ZINC001152282146 779821101 /nfs/dbraw/zinc/82/11/01/779821101.db2.gz CHOJHZCYNQUKOK-UHFFFAOYSA-N 0 3 287.364 -1.512 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)Cn1cncn1)C(N)=O ZINC001152254917 779821181 /nfs/dbraw/zinc/82/11/81/779821181.db2.gz XWAYKGLSEKJWLH-MRVPVSSYSA-N 0 3 297.319 -3.026 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNC(=O)C1CCC1 ZINC001152303802 779821312 /nfs/dbraw/zinc/82/13/12/779821312.db2.gz DJNJMEPDEBXHBH-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001152282657 779821391 /nfs/dbraw/zinc/82/13/91/779821391.db2.gz KYYIIYTZCWSGIB-ZETCQYMHSA-N 0 3 273.337 -1.726 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001152282914 779821424 /nfs/dbraw/zinc/82/14/24/779821424.db2.gz QZVKSTYYZXDSRJ-SECBINFHSA-N 0 3 299.375 -1.322 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCNCC(N)=O ZINC001152283296 779821436 /nfs/dbraw/zinc/82/14/36/779821436.db2.gz XCWZHWGCQGEQSL-UHFFFAOYSA-N 0 3 259.310 -2.115 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCNCC(=O)N1CCC1 ZINC001152275597 779821480 /nfs/dbraw/zinc/82/14/80/779821480.db2.gz JIRHHFACONGSGH-UHFFFAOYSA-N 0 3 299.375 -1.368 20 0 CAADHN CC[C@@H](NCCNC(=O)C(C)(C)NC(=O)NC)C(N)=O ZINC001152288105 779821874 /nfs/dbraw/zinc/82/18/74/779821874.db2.gz RVJIXYHSJRQWCV-MRVPVSSYSA-N 0 3 287.364 -1.336 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254510 779822046 /nfs/dbraw/zinc/82/20/46/779822046.db2.gz OROQBSITFCGBAX-UHFFFAOYSA-N 0 3 297.319 -3.154 20 0 CAADHN Cc1cnn(CCC(=O)NCCNCC(=O)NC(N)=O)c1 ZINC001152369698 779822410 /nfs/dbraw/zinc/82/24/10/779822410.db2.gz VLWADKXIAMLYMW-UHFFFAOYSA-N 0 3 296.331 -1.518 20 0 CAADHN O=C(CNC(=O)C1CCC1)NCCNCC(=O)N1CCC1 ZINC001152304235 779823127 /nfs/dbraw/zinc/82/31/27/779823127.db2.gz UFSONTFWPQHVMS-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CNC(=O)C1CCC1 ZINC001152323653 779823172 /nfs/dbraw/zinc/82/31/72/779823172.db2.gz AHEKFZIQXLJXML-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN CC(C)N(C)CC(=O)NCCNCc1nnn(C)n1 ZINC001152439315 779823926 /nfs/dbraw/zinc/82/39/26/779823926.db2.gz IFKSUQRBSYDZIG-UHFFFAOYSA-N 0 3 269.353 -1.244 20 0 CAADHN NC(=O)Cn1cc(C(=O)NCCNCCF)nn1 ZINC001152414958 779824000 /nfs/dbraw/zinc/82/40/00/779824000.db2.gz QKFGHEKBUAEKRU-UHFFFAOYSA-N 0 3 258.257 -1.948 20 0 CAADHN CN(C)C(=O)Cn1cc(C(=O)NCCNCCF)nn1 ZINC001152421086 779824047 /nfs/dbraw/zinc/82/40/47/779824047.db2.gz QGKHTARQKJJZJF-UHFFFAOYSA-N 0 3 286.311 -1.345 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(CC(N)=O)nn1)C(N)=O ZINC001152414753 779824135 /nfs/dbraw/zinc/82/41/35/779824135.db2.gz LMSULHNXLDCLLF-ZCFIWIBFSA-N 0 3 283.292 -3.043 20 0 CAADHN NC(=O)Cn1cc(C(=O)NCCNC/C=C/Cl)nn1 ZINC001152420752 779824384 /nfs/dbraw/zinc/82/43/84/779824384.db2.gz IGAGZTVOWMUGBQ-OWOJBTEDSA-N 0 3 286.723 -1.165 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414666 779824622 /nfs/dbraw/zinc/82/46/22/779824622.db2.gz HQADJOJQVYIFBV-UHFFFAOYSA-N 0 3 297.319 -2.781 20 0 CAADHN CCOCCOCC(=O)NCCNCC(=O)NC(N)=O ZINC001152501521 779825147 /nfs/dbraw/zinc/82/51/47/779825147.db2.gz NKPPCICLCDZWKM-UHFFFAOYSA-N 0 3 290.320 -2.060 20 0 CAADHN CCOCCOCC(=O)NCCN[C@H](C)C(N)=O ZINC001152501447 779825166 /nfs/dbraw/zinc/82/51/66/779825166.db2.gz JXBQXMQVUPMGPF-SECBINFHSA-N 0 3 261.322 -1.381 20 0 CAADHN CCNC(=O)CNCCNC(=O)COCCOCC ZINC001152495782 779825421 /nfs/dbraw/zinc/82/54/21/779825421.db2.gz LKNXAAHQAZCMQJ-UHFFFAOYSA-N 0 3 275.349 -1.119 20 0 CAADHN CCOCCOCC(=O)NCCN[C@@H](C)C(N)=O ZINC001152501448 779825874 /nfs/dbraw/zinc/82/58/74/779825874.db2.gz JXBQXMQVUPMGPF-VIFPVBQESA-N 0 3 261.322 -1.381 20 0 CAADHN CCOCCOCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001152502489 779826400 /nfs/dbraw/zinc/82/64/00/779826400.db2.gz ZTHXCKAKSQEAGU-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001152699196 779828682 /nfs/dbraw/zinc/82/86/82/779828682.db2.gz QIANYMRGCDPZPJ-SSDOTTSWSA-N 0 3 269.305 -2.083 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCNC2=O)n(C)c1=O ZINC001152699272 779828721 /nfs/dbraw/zinc/82/87/21/779828721.db2.gz UJWWGUFGJCZHAC-MRVPVSSYSA-N 0 3 281.316 -2.068 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCNC2=O)n(C)c1=O ZINC001152699273 779828900 /nfs/dbraw/zinc/82/89/00/779828900.db2.gz UJWWGUFGJCZHAC-QMMMGPOBSA-N 0 3 281.316 -2.068 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001152776723 779830816 /nfs/dbraw/zinc/83/08/16/779830816.db2.gz AXBIHRWCCFWHSL-GHMZBOCLSA-N 0 3 282.344 -1.408 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001152777434 779831251 /nfs/dbraw/zinc/83/12/51/779831251.db2.gz LFYXWHGSYBZXGG-NWDGAFQWSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCCN1C(C)=O)C(N)=O ZINC001152790354 779831895 /nfs/dbraw/zinc/83/18/95/779831895.db2.gz XIGSGDGILKWUQL-GHMZBOCLSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CCCCC(=O)NCCNCC(=O)NC ZINC001153053656 779834178 /nfs/dbraw/zinc/83/41/78/779834178.db2.gz WZFDEHZNCWNKSE-UHFFFAOYSA-N 0 3 272.349 -1.255 20 0 CAADHN NC(=O)CNCCNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001152963729 779834443 /nfs/dbraw/zinc/83/44/43/779834443.db2.gz PYOPSMUVZHEFLO-UHFFFAOYSA-N 0 3 278.312 -1.481 20 0 CAADHN C[C@H](OC[C@H]1CCCO1)C(=O)NCCNCC(N)=O ZINC001153176486 779836488 /nfs/dbraw/zinc/83/64/88/779836488.db2.gz LWRFYOVUDOZEPT-VHSXEESVSA-N 0 3 273.333 -1.238 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1cscn1 ZINC001153279808 779836845 /nfs/dbraw/zinc/83/68/45/779836845.db2.gz QIYVXDXQVGFYHF-UHFFFAOYSA-N 0 3 299.356 -1.024 20 0 CAADHN COCCOCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001153224617 779836954 /nfs/dbraw/zinc/83/69/54/779836954.db2.gz CMRGCULQYRJGED-SNVBAGLBSA-N 0 3 273.333 -1.366 20 0 CAADHN CNC(=O)CNCCNC(=O)CCOCCOC ZINC001153220329 779836970 /nfs/dbraw/zinc/83/69/70/779836970.db2.gz VAIDZVLURKZPPU-UHFFFAOYSA-N 0 3 261.322 -1.509 20 0 CAADHN CN(CCNC(=O)C1(n2cnnn2)CC1)CCOCCO ZINC001153232681 779837038 /nfs/dbraw/zinc/83/70/38/779837038.db2.gz KMCIQZVEHVZSAC-UHFFFAOYSA-N 0 3 298.347 -1.781 20 0 CAADHN CCN(CC(N)=O)[C@H](C)CNC(=O)Cc1n[nH]c(C)n1 ZINC001153253010 779837131 /nfs/dbraw/zinc/83/71/31/779837131.db2.gz PKDMUKXWANQCAX-MRVPVSSYSA-N 0 3 282.348 -1.032 20 0 CAADHN COCCOCCC(=O)NCCNCC(=O)N(C)C ZINC001153220682 779837268 /nfs/dbraw/zinc/83/72/68/779837268.db2.gz WWLDFYSZUKCKCB-UHFFFAOYSA-N 0 3 275.349 -1.167 20 0 CAADHN CCCC[C@H](NC(N)=O)C(=O)NCCN[C@H](C)C(N)=O ZINC001153330862 779837305 /nfs/dbraw/zinc/83/73/05/779837305.db2.gz IRVKFQDCSCJCRB-BDAKNGLRSA-N 0 3 287.364 -1.207 20 0 CAADHN CCCC[C@H](NC(N)=O)C(=O)NCCNCC(N)=O ZINC001153331007 779838401 /nfs/dbraw/zinc/83/84/01/779838401.db2.gz MXQMLYWQXLUXME-QMMMGPOBSA-N 0 3 273.337 -1.595 20 0 CAADHN O=C(Cn1ccnc1)NCCN[C@@H]1CCCNC1=O ZINC001153495677 779839744 /nfs/dbraw/zinc/83/97/44/779839744.db2.gz NDSYNXPOHIZYIN-SNVBAGLBSA-N 0 3 265.317 -1.133 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)Cn1ccnc1 ZINC001153487960 779839787 /nfs/dbraw/zinc/83/97/87/779839787.db2.gz VUWVIPFICACWIY-UHFFFAOYSA-N 0 3 297.359 -1.258 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cn1ccnc1 ZINC001153500831 779839888 /nfs/dbraw/zinc/83/98/88/779839888.db2.gz VUDITBJIPJGCCE-UHFFFAOYSA-N 0 3 289.361 -1.862 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153514570 779840078 /nfs/dbraw/zinc/84/00/78/779840078.db2.gz LOORZJXBVXAYQW-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153520340 779840168 /nfs/dbraw/zinc/84/01/68/779840168.db2.gz IWYFWKZDWXZBQL-UHFFFAOYSA-N 0 3 293.327 -1.364 20 0 CAADHN O=C(Cn1ccnc1)NCCN[C@H]1CCCNC1=O ZINC001153495676 779840243 /nfs/dbraw/zinc/84/02/43/779840243.db2.gz NDSYNXPOHIZYIN-JTQLQIEISA-N 0 3 265.317 -1.133 20 0 CAADHN C[C@H](NCCNC(=O)CCCC(N)=O)C(=O)NC(N)=O ZINC001153468285 779840282 /nfs/dbraw/zinc/84/02/82/779840282.db2.gz VHRZRNZBDFMANV-ZETCQYMHSA-N 0 3 287.320 -2.069 20 0 CAADHN O=C(Cn1ccnc1)NCCN[C@H]1CCNC1=O ZINC001153495664 779840392 /nfs/dbraw/zinc/84/03/92/779840392.db2.gz MRSLFYLAGOMNND-VIFPVBQESA-N 0 3 251.290 -1.523 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cn1ccnc1 ZINC001153487994 779840414 /nfs/dbraw/zinc/84/04/14/779840414.db2.gz YOZCGPXIPUAINI-UHFFFAOYSA-N 0 3 282.304 -1.956 20 0 CAADHN CN1CC[C@H](NCCNC(=O)Cn2ccnc2)C1=O ZINC001153500126 779840603 /nfs/dbraw/zinc/84/06/03/779840603.db2.gz FUGMJYRUWUWQQR-JTQLQIEISA-N 0 3 265.317 -1.180 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccc(C(N)=O)nc1)C(N)=O ZINC001153520002 779840619 /nfs/dbraw/zinc/84/06/19/779840619.db2.gz BGAXATVLIZMVTR-VIFPVBQESA-N 0 3 293.327 -1.236 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)Cn2ccnc2)C1=O ZINC001153500129 779840777 /nfs/dbraw/zinc/84/07/77/779840777.db2.gz FUGMJYRUWUWQQR-SNVBAGLBSA-N 0 3 265.317 -1.180 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153515501 779840804 /nfs/dbraw/zinc/84/08/04/779840804.db2.gz XMNPYFKFLNLUDD-UHFFFAOYSA-N 0 3 279.300 -1.754 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153515732 779840816 /nfs/dbraw/zinc/84/08/16/779840816.db2.gz ZMRUGYHKOWQQOU-UHFFFAOYSA-N 0 3 293.327 -1.412 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(C(N)=O)nc1)C(N)=O ZINC001153520606 779840856 /nfs/dbraw/zinc/84/08/56/779840856.db2.gz NOUKJMSEWHMARI-ZETCQYMHSA-N 0 3 279.300 -1.626 20 0 CAADHN CS(=O)(=O)CCNCCNC(=O)Cn1ccnc1 ZINC001153487510 779841094 /nfs/dbraw/zinc/84/10/94/779841094.db2.gz AQERZPQYXGANOQ-UHFFFAOYSA-N 0 3 274.346 -1.367 20 0 CAADHN NC(=O)CCCC(=O)NCCNCC(=O)NCC1CC1 ZINC001153473958 779841118 /nfs/dbraw/zinc/84/11/18/779841118.db2.gz YNEUPSPTQFJSCX-UHFFFAOYSA-N 0 3 284.360 -1.126 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1nonc1C ZINC001153562035 779841830 /nfs/dbraw/zinc/84/18/30/779841830.db2.gz WWDVOSSOJJFHET-UHFFFAOYSA-N 0 3 299.331 -1.150 20 0 CAADHN CC[C@H](NCCNC(=O)c1nonc1C)C(N)=O ZINC001153572286 779841950 /nfs/dbraw/zinc/84/19/50/779841950.db2.gz IBCYKBKTQRHRIP-ZETCQYMHSA-N 0 3 255.278 -1.039 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153577499 779841898 /nfs/dbraw/zinc/84/18/98/779841898.db2.gz AOBDCSWYBYOYNN-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN Cc1nonc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001153567729 779842309 /nfs/dbraw/zinc/84/23/09/779842309.db2.gz XCZFBQJIDWWSBX-SSDOTTSWSA-N 0 3 253.262 -1.414 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1nonc1C ZINC001153572216 779842343 /nfs/dbraw/zinc/84/23/43/779842343.db2.gz FEATUXHWWYHHFV-SSDOTTSWSA-N 0 3 255.278 -1.168 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001153586665 779842364 /nfs/dbraw/zinc/84/23/64/779842364.db2.gz WIEXBCXIXVFBCS-YUMQZZPRSA-N 0 3 271.321 -1.891 20 0 CAADHN Cc1nonc1C(=O)NCCN[C@H]1CCCNC1=O ZINC001153567618 779842409 /nfs/dbraw/zinc/84/24/09/779842409.db2.gz RRYULMKQBZGMGO-QMMMGPOBSA-N 0 3 267.289 -1.024 20 0 CAADHN NC(=O)CNCCNC(=O)COC[C@@H]1CCCO1 ZINC001153672452 779843728 /nfs/dbraw/zinc/84/37/28/779843728.db2.gz BUNJAQOKQOPJPM-VIFPVBQESA-N 0 3 259.306 -1.627 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153586186 779843243 /nfs/dbraw/zinc/84/32/43/779843243.db2.gz KESDIFLCGVXAPA-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN CC(=O)NC1CCC(C(=O)NCCNCC(N)=O)CC1 ZINC001153632440 779843438 /nfs/dbraw/zinc/84/34/38/779843438.db2.gz LLEHOWBEVIPBPS-UHFFFAOYSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)NC(=O)C1CCC1)C(N)=O ZINC001153692394 779843525 /nfs/dbraw/zinc/84/35/25/779843525.db2.gz JFERMTVIINCRMP-BDAKNGLRSA-N 0 3 284.360 -1.129 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCCN2C(N)=O)C1=O ZINC001153591450 779843742 /nfs/dbraw/zinc/84/37/42/779843742.db2.gz QDBGZYSWJBKOAV-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153586290 779843925 /nfs/dbraw/zinc/84/39/25/779843925.db2.gz OCCRSKGKXHHUGG-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001153591642 779844074 /nfs/dbraw/zinc/84/40/74/779844074.db2.gz WBUBWYFMHNJUHC-BDAKNGLRSA-N 0 3 285.348 -1.501 20 0 CAADHN CC(C)CC(=O)NCCC(=O)NCCNCC(N)=O ZINC001153605687 779844186 /nfs/dbraw/zinc/84/41/86/779844186.db2.gz MYCMYTJXHONXNN-UHFFFAOYSA-N 0 3 272.349 -1.270 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)COC[C@@H]1CCCO1 ZINC001153674200 779844300 /nfs/dbraw/zinc/84/43/00/779844300.db2.gz SOXJFANTCMUISP-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN NC(=O)CNCCNC(=O)CCNC(=O)[C@@H]1CCCO1 ZINC001153597778 779844315 /nfs/dbraw/zinc/84/43/15/779844315.db2.gz GSGSPLULEGPVJS-VIFPVBQESA-N 0 3 286.332 -2.137 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CCc1cn(C)nn1 ZINC001153761850 779844687 /nfs/dbraw/zinc/84/46/87/779844687.db2.gz PSRISXGVPIXIQL-UHFFFAOYSA-N 0 3 296.375 -1.022 20 0 CAADHN CCn1nc(C)c(C(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001153752818 779844916 /nfs/dbraw/zinc/84/49/16/779844916.db2.gz LPHPRBPLLYMUKV-MRVPVSSYSA-N 0 3 268.321 -1.200 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCc1cn(C)nn1 ZINC001153761357 779845020 /nfs/dbraw/zinc/84/50/20/779845020.db2.gz JXTYQJUMWMPFNG-UHFFFAOYSA-N 0 3 282.348 -1.458 20 0 CAADHN CC[C@H](NCCNC(=O)CCc1cn(C)nn1)C(N)=O ZINC001153770826 779845058 /nfs/dbraw/zinc/84/50/58/779845058.db2.gz MAGLFQOSOGKMDD-JTQLQIEISA-N 0 3 282.348 -1.283 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1cn(C)nn1)C(=O)N(C)C ZINC001153770406 779845277 /nfs/dbraw/zinc/84/52/77/779845277.db2.gz DPGJCGQLDPUHNX-SNVBAGLBSA-N 0 3 296.375 -1.070 20 0 CAADHN CCOc1cnc(C(=O)NCCNCC(N)=O)cn1 ZINC001153747323 779845360 /nfs/dbraw/zinc/84/53/60/779845360.db2.gz LWLGFPSGQCBUAT-UHFFFAOYSA-N 0 3 267.289 -1.320 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1cn(C)nn1 ZINC001153761882 779845690 /nfs/dbraw/zinc/84/56/90/779845690.db2.gz QYOSQYQLUCGHDB-UHFFFAOYSA-N 0 3 268.321 -1.801 20 0 CAADHN CCc1cc(C(=O)NCCNCC(=O)NC(N)=O)nn1C ZINC001153734380 779845710 /nfs/dbraw/zinc/84/57/10/779845710.db2.gz LTZQSGBKKUTCRH-UHFFFAOYSA-N 0 3 296.331 -1.503 20 0 CAADHN CCn1nc(C)c(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001153752888 779845826 /nfs/dbraw/zinc/84/58/26/779845826.db2.gz OOUJHZSEJKKNNS-SECBINFHSA-N 0 3 280.332 -1.186 20 0 CAADHN Cc1nc[nH]c1C(=O)NCCN[C@@H]1CCNC1=O ZINC001153820339 779846168 /nfs/dbraw/zinc/84/61/68/779846168.db2.gz LZSOXDRKGBIMIG-MRVPVSSYSA-N 0 3 251.290 -1.074 20 0 CAADHN CC(C)C[C@@H](C(N)=O)C(=O)NCCN[C@H](C)C(N)=O ZINC001153782214 779846232 /nfs/dbraw/zinc/84/62/32/779846232.db2.gz MFHGPHUIBZMMNJ-BDAKNGLRSA-N 0 3 272.349 -1.286 20 0 CAADHN CC(C)C[C@@H](C(N)=O)C(=O)NCCNCC(=O)N(C)C ZINC001153789629 779846273 /nfs/dbraw/zinc/84/62/73/779846273.db2.gz CQRUHDIZDDNGCZ-JTQLQIEISA-N 0 3 286.376 -1.072 20 0 CAADHN CC(C)C[C@@H](C(N)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001153790350 779846539 /nfs/dbraw/zinc/84/65/39/779846539.db2.gz UALAZTFOUZRNNJ-UWVGGRQHSA-N 0 3 284.360 -1.272 20 0 CAADHN Cc1nc[nH]c1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001153820248 779846408 /nfs/dbraw/zinc/84/64/08/779846408.db2.gz LGMHTQDCBVIHSX-UHFFFAOYSA-N 0 3 295.343 -1.104 20 0 CAADHN CC(C)C[C@H](C(N)=O)C(=O)NCCN[C@H](C)C(N)=O ZINC001153782217 779846993 /nfs/dbraw/zinc/84/69/93/779846993.db2.gz MFHGPHUIBZMMNJ-RKDXNWHRSA-N 0 3 272.349 -1.286 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001153795762 779847088 /nfs/dbraw/zinc/84/70/88/779847088.db2.gz VNHGFDCXKNVDJJ-NXEZZACHSA-N 0 3 286.376 -1.026 20 0 CAADHN CC(C)C[C@@H](C(N)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001153790351 779847117 /nfs/dbraw/zinc/84/71/17/779847117.db2.gz UALAZTFOUZRNNJ-VHSXEESVSA-N 0 3 284.360 -1.272 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC001153795763 779847220 /nfs/dbraw/zinc/84/72/20/779847220.db2.gz VNHGFDCXKNVDJJ-UWVGGRQHSA-N 0 3 286.376 -1.026 20 0 CAADHN CC(C)C[C@@H](C(N)=O)C(=O)NCCN[C@@H](C)C(N)=O ZINC001153782216 779847242 /nfs/dbraw/zinc/84/72/42/779847242.db2.gz MFHGPHUIBZMMNJ-IUCAKERBSA-N 0 3 272.349 -1.286 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)N(C)C)N1CCOCC1 ZINC001153840697 779847533 /nfs/dbraw/zinc/84/75/33/779847533.db2.gz JSZVMZOJERJYTG-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN Cc1nc[nH]c1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001153832313 779847585 /nfs/dbraw/zinc/84/75/85/779847585.db2.gz RVFJGFNCZIIODQ-ZETCQYMHSA-N 0 3 282.304 -1.379 20 0 CAADHN C[C@@H](C(=O)NCCN[C@H]1CCCNC1=O)N1CCOCC1 ZINC001153841238 779847674 /nfs/dbraw/zinc/84/76/74/779847674.db2.gz QXANLWWMBUTHAZ-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN Cc1nc[nH]c1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001153832312 779848092 /nfs/dbraw/zinc/84/80/92/779848092.db2.gz RVFJGFNCZIIODQ-SSDOTTSWSA-N 0 3 282.304 -1.379 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](C)N1CCOCC1 ZINC001153841501 779848270 /nfs/dbraw/zinc/84/82/70/779848270.db2.gz WGTDZCIXKXDDDI-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CC12CCOCC2 ZINC001153860110 779848462 /nfs/dbraw/zinc/84/84/62/779848462.db2.gz ATQDWWKTKBLWRB-SECBINFHSA-N 0 3 255.318 -1.006 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CC(=O)NC1=O)C(=O)N(C)C ZINC001153886424 779849078 /nfs/dbraw/zinc/84/90/78/779849078.db2.gz AWWCYHQGTZYFHV-RKDXNWHRSA-N 0 3 298.343 -1.778 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@@H]1CC(=O)NC1=O)C(N)=O ZINC001153886738 779849126 /nfs/dbraw/zinc/84/91/26/779849126.db2.gz ICWDOUFLPRRYDP-HTQZYQBOSA-N 0 3 284.316 -1.991 20 0 CAADHN Cn1cc(CNCCNC(=O)C[C@H]2CC(=O)NC2=O)cn1 ZINC001153886945 779849374 /nfs/dbraw/zinc/84/93/74/779849374.db2.gz LPOCYKAIOLNXFL-JTQLQIEISA-N 0 3 293.327 -1.321 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153882985 779849392 /nfs/dbraw/zinc/84/93/92/779849392.db2.gz SRNWKTLIDCXXMO-MRVPVSSYSA-N 0 3 284.316 -2.119 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153882986 779849427 /nfs/dbraw/zinc/84/94/27/779849427.db2.gz SRNWKTLIDCXXMO-QMMMGPOBSA-N 0 3 284.316 -2.119 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NCCN[C@H]1CCNC1=O ZINC001153882853 779849926 /nfs/dbraw/zinc/84/99/26/779849926.db2.gz QALOQAZWGYCWDJ-YUMQZZPRSA-N 0 3 282.300 -2.367 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153883200 779849995 /nfs/dbraw/zinc/84/99/95/779849995.db2.gz ZBGLVBWWNJKNIH-MRVPVSSYSA-N 0 3 284.316 -2.167 20 0 CAADHN O=C(CNCCNC(=O)C[C@H]1CC(=O)NC1=O)NC1CC1 ZINC001153882587 779850039 /nfs/dbraw/zinc/85/00/39/779850039.db2.gz JTZLTNIJFXXHCU-QMMMGPOBSA-N 0 3 296.327 -1.976 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001153929470 779850567 /nfs/dbraw/zinc/85/05/67/779850567.db2.gz BKRZOEDYVMNCHQ-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@]1(CCC(=O)NCCNCC(N)=O)CCC(=O)N1 ZINC001153911091 779850694 /nfs/dbraw/zinc/85/06/94/779850694.db2.gz FYUSYZYKFOUHSN-LBPRGKRZSA-N 0 3 270.333 -1.374 20 0 CAADHN Cn1nccc1CNCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153890418 779850855 /nfs/dbraw/zinc/85/08/55/779850855.db2.gz HXXRAEULMHACCU-SECBINFHSA-N 0 3 293.327 -1.321 20 0 CAADHN CNC(=O)CNCCNC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001153905261 779850897 /nfs/dbraw/zinc/85/08/97/779850897.db2.gz AUSNEAIROYJMFL-CYBMUJFWSA-N 0 3 284.360 -1.113 20 0 CAADHN NC(=O)CNCCNC(=O)CCCCCS(N)(=O)=O ZINC001153946189 779851054 /nfs/dbraw/zinc/85/10/54/779851054.db2.gz PQSSZBPIWDDWNI-UHFFFAOYSA-N 0 3 294.377 -1.974 20 0 CAADHN CC[C@H](NCCNC(=O)c1cc(C(N)=O)ccn1)C(N)=O ZINC001153933814 779851078 /nfs/dbraw/zinc/85/10/78/779851078.db2.gz CFUPPDMTLRPKPW-VIFPVBQESA-N 0 3 293.327 -1.236 20 0 CAADHN C[C@H](NCCNC(=O)c1cc(C(N)=O)ccn1)C(N)=O ZINC001153929503 779851125 /nfs/dbraw/zinc/85/11/25/779851125.db2.gz DGRXIDRDTIATCF-ZETCQYMHSA-N 0 3 279.300 -1.626 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001153929631 779851338 /nfs/dbraw/zinc/85/13/38/779851338.db2.gz JXBUNVFRWKVOFI-UHFFFAOYSA-N 0 3 293.327 -1.364 20 0 CAADHN CC(=O)NCCCNCC(=O)N[C@@H](C)C(=O)N(C)C ZINC001154048833 779852265 /nfs/dbraw/zinc/85/22/65/779852265.db2.gz BDKDPJYQULYARB-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001154008188 779852398 /nfs/dbraw/zinc/85/23/98/779852398.db2.gz XYILFDPDEDGMOY-VIFPVBQESA-N 0 3 267.333 -1.025 20 0 CAADHN CCN(CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001154134381 779854189 /nfs/dbraw/zinc/85/41/89/779854189.db2.gz BGIZQZOPXJMAQT-SSDOTTSWSA-N 0 3 297.319 -1.560 20 0 CAADHN CC(=O)NCC(=O)NCCCNCC(=O)Nc1ccon1 ZINC001154188525 779855443 /nfs/dbraw/zinc/85/54/43/779855443.db2.gz YLZXNSDGXWUYBF-UHFFFAOYSA-N 0 3 297.315 -1.155 20 0 CAADHN Cn1ccnc1CNCCCNC(=O)CNC(N)=O ZINC001154458218 779858976 /nfs/dbraw/zinc/85/89/76/779858976.db2.gz YHNANFOBPLVSBG-UHFFFAOYSA-N 0 3 268.321 -1.316 20 0 CAADHN Cc1cc(CNCCCNC(=O)CNC(N)=O)nn1C ZINC001154457475 779859367 /nfs/dbraw/zinc/85/93/67/779859367.db2.gz HEFHGJRYFBDGJA-UHFFFAOYSA-N 0 3 282.348 -1.007 20 0 CAADHN NC(=O)NCC(=O)NCCCNCC(=O)Nc1ccon1 ZINC001154467716 779860246 /nfs/dbraw/zinc/86/02/46/779860246.db2.gz PIYANHMKXLURRV-UHFFFAOYSA-N 0 3 298.303 -1.623 20 0 CAADHN Cn1nncc1CNCCCNC(=O)Cn1cnnn1 ZINC001154503644 779861270 /nfs/dbraw/zinc/86/12/70/779861270.db2.gz VXXXVANNVZQRNR-UHFFFAOYSA-N 0 3 279.308 -1.902 20 0 CAADHN CCN(C[C@H](O)COC)[C@H](C)CNC(=O)C(N)=O ZINC001154952350 779866739 /nfs/dbraw/zinc/86/67/39/779866739.db2.gz APFABXRZFLJJBB-BDAKNGLRSA-N 0 3 261.322 -1.694 20 0 CAADHN Cn1nncc1CNCCCNC(=O)CNC(=O)C1CC1 ZINC001155035633 779868429 /nfs/dbraw/zinc/86/84/29/779868429.db2.gz IHSRZCQSRFQIDO-UHFFFAOYSA-N 0 3 294.359 -1.063 20 0 CAADHN CCN(CCN1C(=O)CCC1=O)[C@H](C)CNC(=O)C(N)=O ZINC001154968462 779868892 /nfs/dbraw/zinc/86/88/92/779868892.db2.gz JLPQKZWWVHQCOA-SECBINFHSA-N 0 3 298.343 -1.553 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@H]1CCC(=O)N1 ZINC001155740706 779876008 /nfs/dbraw/zinc/87/60/08/779876008.db2.gz BXKLUNXHPJGRBY-SNVBAGLBSA-N 0 3 280.332 -1.310 20 0 CAADHN CCN(CC(=O)NC)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001155906185 779879485 /nfs/dbraw/zinc/87/94/85/779879485.db2.gz ZRTPSCAPUATQFJ-MRVPVSSYSA-N 0 3 268.321 -1.009 20 0 CAADHN CCN(CC(=O)NC)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001155906185 779879490 /nfs/dbraw/zinc/87/94/90/779879490.db2.gz ZRTPSCAPUATQFJ-MRVPVSSYSA-N 0 3 268.321 -1.009 20 0 CAADHN C[C@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CCN1C ZINC001155894487 779879527 /nfs/dbraw/zinc/87/95/27/779879527.db2.gz VQSWNVQNYGIEER-YUMQZZPRSA-N 0 3 266.305 -1.414 20 0 CAADHN C[C@H]1[C@H](NC(=O)c2cn(CC(N)=O)nn2)CCN1C ZINC001155894483 779879676 /nfs/dbraw/zinc/87/96/76/779879676.db2.gz VQSWNVQNYGIEER-JGVFFNPUSA-N 0 3 266.305 -1.414 20 0 CAADHN Cn1ccc(CNCCCNC(=O)CC(N)=O)n1 ZINC001156012346 779881214 /nfs/dbraw/zinc/88/12/14/779881214.db2.gz XFGJDDIURXMKDA-UHFFFAOYSA-N 0 3 253.306 -1.109 20 0 CAADHN CNC(=O)c1ccc(N(C)S(=O)(=O)CCN)nn1 ZINC001156240599 779884341 /nfs/dbraw/zinc/88/43/41/779884341.db2.gz SGWHDQZOGAKXCS-UHFFFAOYSA-N 0 3 273.318 -1.439 20 0 CAADHN CCNC(=O)C[NH2+]CCCNC(=O)CCc1nnc[n-]1 ZINC001156328063 779884386 /nfs/dbraw/zinc/88/43/86/779884386.db2.gz AEYAMLMDBABKLP-UHFFFAOYSA-N 0 3 282.348 -1.031 20 0 CAADHN CCNC(=O)c1ccc(N(C)S(=O)(=O)CCN)nn1 ZINC001156239904 779884510 /nfs/dbraw/zinc/88/45/10/779884510.db2.gz ASRRXXYOSXKVEV-UHFFFAOYSA-N 0 3 287.345 -1.049 20 0 CAADHN CN(C)C(=O)c1cncc(N(C)S(=O)(=O)CCN)n1 ZINC001156238282 779884567 /nfs/dbraw/zinc/88/45/67/779884567.db2.gz GPMWVSXESZPHNL-UHFFFAOYSA-N 0 3 287.345 -1.097 20 0 CAADHN CCN(CC(N)=O)[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001156288223 779884652 /nfs/dbraw/zinc/88/46/52/779884652.db2.gz AXVXDOYNMNWKOQ-MRVPVSSYSA-N 0 3 268.321 -1.341 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCc1nnc[n-]1 ZINC001156336711 779884808 /nfs/dbraw/zinc/88/48/08/779884808.db2.gz QFNGEJIGEICGMP-VIFPVBQESA-N 0 3 282.348 -1.032 20 0 CAADHN CNC(=O)CC(=O)NCCCNCc1cnnn1C ZINC001156996277 779892696 /nfs/dbraw/zinc/89/26/96/779892696.db2.gz WGPFJZRQZFVSCG-UHFFFAOYSA-N 0 3 268.321 -1.453 20 0 CAADHN CNC(=O)NCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001157005953 779894150 /nfs/dbraw/zinc/89/41/50/779894150.db2.gz JYQMORFZTRQHLW-QMMMGPOBSA-N 0 3 256.306 -1.495 20 0 CAADHN OCC(CO)(CO)Nc1cc2c(nn1)CCNC2 ZINC001157152571 779897239 /nfs/dbraw/zinc/89/72/39/779897239.db2.gz IBWIIZVBIXIWBY-UHFFFAOYSA-N 0 3 254.290 -1.750 20 0 CAADHN OC[C@H]1C[C@@H](Nc2ncc3c(n2)CCNC3)[C@H](O)[C@@H]1O ZINC001157276836 779897994 /nfs/dbraw/zinc/89/79/94/779897994.db2.gz XDOZPMKPKSOHMF-PUYANOKMSA-N 0 3 280.328 -1.363 20 0 CAADHN Cc1cc(N(C(=N)N)C(=O)[C@@H]2CNCCN2)n[nH]1 ZINC001157440045 779903295 /nfs/dbraw/zinc/90/32/95/779903295.db2.gz RAJVYPQPRGGNFU-ZETCQYMHSA-N 0 3 251.294 -1.494 20 0 CAADHN Cn1ccnc1CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001157423757 779903339 /nfs/dbraw/zinc/90/33/39/779903339.db2.gz UUDHIIVBVVFILQ-SNVBAGLBSA-N 0 3 279.344 -1.591 20 0 CAADHN Cn1cc(C(=O)NCCCNCc2cnnn2C)nn1 ZINC001157453953 779904793 /nfs/dbraw/zinc/90/47/93/779904793.db2.gz FCZCDVWWBBBQPJ-UHFFFAOYSA-N 0 3 278.320 -1.147 20 0 CAADHN CNC(=O)C1CCN(C(=O)[C@H](N)CCCNC(N)=O)CC1 ZINC001157495039 779905222 /nfs/dbraw/zinc/90/52/22/779905222.db2.gz DUBCKPLKQYCNJX-SNVBAGLBSA-N 0 3 299.375 -1.253 20 0 CAADHN COC(=O)N1CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC1 ZINC001157508413 779906733 /nfs/dbraw/zinc/90/67/33/779906733.db2.gz UICGELBGCNMINO-UGZDLDLSSA-N 0 3 291.373 -1.007 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCn2cnnc2C1 ZINC001157508684 779907153 /nfs/dbraw/zinc/90/71/53/779907153.db2.gz WNFUVUSRZMTOSL-DCXZOGHSSA-N 0 3 271.346 -1.284 20 0 CAADHN CCn1nnc2c1[C@H](C(=O)N1C[C@@H](F)[C@@H](N)C1)CNC2 ZINC001157530859 779907948 /nfs/dbraw/zinc/90/79/48/779907948.db2.gz KYKWPBZGJPFHSG-HLTSFMKQSA-N 0 3 282.323 -1.008 20 0 CAADHN N[C@H]1CN(C(=O)CCCS(N)(=O)=O)C[C@H]1F ZINC001157530250 779908219 /nfs/dbraw/zinc/90/82/19/779908219.db2.gz DGWQCQMRPLPWEW-RQJHMYQMSA-N 0 3 253.299 -1.437 20 0 CAADHN CN(CC(=O)N1C[C@@H](F)[C@@H](N)C1)S(C)(=O)=O ZINC001157539047 779908232 /nfs/dbraw/zinc/90/82/32/779908232.db2.gz XZGVXPYGCZYUMZ-RQJHMYQMSA-N 0 3 253.299 -1.615 20 0 CAADHN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157531778 779908331 /nfs/dbraw/zinc/90/83/31/779908331.db2.gz QUEZBSDBJYAMPX-IMSYWVGJSA-N 0 3 259.281 -1.524 20 0 CAADHN Nc1cccn(CC(=O)N2C[C@@H](F)[C@@H](N)C2)c1=O ZINC001157538592 779908399 /nfs/dbraw/zinc/90/83/99/779908399.db2.gz NKPAEECSEXOXBC-APPZFPTMSA-N 0 3 254.265 -1.062 20 0 CAADHN CC(=O)N1CCN(CC(=O)N2C[C@@H](F)[C@@H](N)C2)CC1 ZINC001157535646 779908413 /nfs/dbraw/zinc/90/84/13/779908413.db2.gz DISWHWRBXQIWTH-MNOVXSKESA-N 0 3 272.324 -1.342 20 0 CAADHN NC(=O)c1nccnc1C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157545071 779909027 /nfs/dbraw/zinc/90/90/27/779909027.db2.gz NGJRYZOVYVOGNP-RITPCOANSA-N 0 3 253.237 -1.303 20 0 CAADHN CCOC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157545357 779909127 /nfs/dbraw/zinc/90/91/27/779909127.db2.gz QVPJOYNHOIRAJF-CSMHCCOUSA-N 0 3 290.295 -1.516 20 0 CAADHN C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157545526 779909764 /nfs/dbraw/zinc/90/97/64/779909764.db2.gz VGUDTMDQGTVHGP-LZISRMJESA-N 0 3 273.308 -1.375 20 0 CAADHN CCNC(=O)CN(C)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001157679350 779910099 /nfs/dbraw/zinc/91/00/99/779910099.db2.gz TUQLKKXEWDNHSA-VIFPVBQESA-N 0 3 270.333 -2.089 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1Cc2cncnc2C1 ZINC001157708580 779910382 /nfs/dbraw/zinc/91/03/82/779910382.db2.gz WRAGABQVMYBDML-NSHDSACASA-N 0 3 275.312 -1.351 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1Cc2cncnc2C1 ZINC001157708579 779910794 /nfs/dbraw/zinc/91/07/94/779910794.db2.gz WRAGABQVMYBDML-LLVKDONJSA-N 0 3 275.312 -1.351 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC=CC1 ZINC001157678782 779910993 /nfs/dbraw/zinc/91/09/93/779910993.db2.gz GBWUWVTWQIYKEO-YUMQZZPRSA-N 0 3 254.290 -1.908 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CCCO1 ZINC001157703318 779911024 /nfs/dbraw/zinc/91/10/24/779911024.db2.gz NCCYKZPWFYETLY-GHMZBOCLSA-N 0 3 269.345 -1.046 20 0 CAADHN CCNC(=O)CN(C)C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001157673918 779911056 /nfs/dbraw/zinc/91/10/56/779911056.db2.gz RZDSMCRZZDMWDQ-SECBINFHSA-N 0 3 253.306 -1.126 20 0 CAADHN CCNC(=O)CN(C)C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001157673920 779911091 /nfs/dbraw/zinc/91/10/91/779911091.db2.gz RZDSMCRZZDMWDQ-VIFPVBQESA-N 0 3 253.306 -1.126 20 0 CAADHN COC(=O)[C@@H](N)CC(=O)N(C)C[C@H]1CNCCO1 ZINC001157717194 779911858 /nfs/dbraw/zinc/91/18/58/779911858.db2.gz YFMUYMWMPPTDLT-BDAKNGLRSA-N 0 3 259.306 -1.676 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1C[C@H](F)C[C@H](CO)C1 ZINC001157731094 779912068 /nfs/dbraw/zinc/91/20/68/779912068.db2.gz RIPKECGOELZSKL-AXFHLTTASA-N 0 3 287.335 -1.504 20 0 CAADHN COC(=O)[C@@H](N)CC(=O)N(C)C[C@@H]1CNCCO1 ZINC001157717195 779912089 /nfs/dbraw/zinc/91/20/89/779912089.db2.gz YFMUYMWMPPTDLT-IUCAKERBSA-N 0 3 259.306 -1.676 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CC[C@@H](O)[C@H](F)C1 ZINC001157854464 779914699 /nfs/dbraw/zinc/91/46/99/779914699.db2.gz DZDYDVCBMCHSLJ-OPRDCNLKSA-N 0 3 273.308 -1.752 20 0 CAADHN O=C([C@@H]1CNCCN1)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862794 779914981 /nfs/dbraw/zinc/91/49/81/779914981.db2.gz KVUZHLVIHHASPL-VIFPVBQESA-N 0 3 266.301 -2.092 20 0 CAADHN C[C@@H]1CC[C@H](CO)CN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001157855669 779915018 /nfs/dbraw/zinc/91/50/18/779915018.db2.gz PJCJNSUHKKNKKL-GRYCIOLGSA-N 0 3 283.372 -1.064 20 0 CAADHN C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001157855670 779915367 /nfs/dbraw/zinc/91/53/67/779915367.db2.gz PJCJNSUHKKNKKL-IJLUTSLNSA-N 0 3 283.372 -1.064 20 0 CAADHN C[C@H]1C[C@@H](CO)N(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001157853631 779915492 /nfs/dbraw/zinc/91/54/92/779915492.db2.gz INRSAZWGWCPPGF-GARJFASQSA-N 0 3 269.345 -1.454 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2CC[C@@H](CO)[C@@H](O)C2)C1=O ZINC001157902426 779916242 /nfs/dbraw/zinc/91/62/42/779916242.db2.gz BEEWBYYQZRYZNY-SRVKXCTJSA-N 0 3 299.371 -1.472 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2CC[C@H](CO)[C@@H](O)C2)C1=O ZINC001157902427 779916491 /nfs/dbraw/zinc/91/64/91/779916491.db2.gz BEEWBYYQZRYZNY-WOPDTQHZSA-N 0 3 299.371 -1.472 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCCNC(=O)C1 ZINC001157889020 779916534 /nfs/dbraw/zinc/91/65/34/779916534.db2.gz GYEXWZJJRPQYHR-CABZTGNLSA-N 0 3 284.360 -1.176 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2CC[C@H](CO)[C@H](O)C2)C1=O ZINC001157902424 779916575 /nfs/dbraw/zinc/91/65/75/779916575.db2.gz BEEWBYYQZRYZNY-GRYCIOLGSA-N 0 3 299.371 -1.472 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]1C ZINC001157922043 779917320 /nfs/dbraw/zinc/91/73/20/779917320.db2.gz CDELJCNWSMJALX-CSMHCCOUSA-N 0 3 256.306 -1.685 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2CC[C@H](O)[C@H](CO)C2)C1=O ZINC001157933780 779918415 /nfs/dbraw/zinc/91/84/15/779918415.db2.gz CYSSHNNLNVWMBL-SRVKXCTJSA-N 0 3 299.371 -1.472 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2CC[C@@H](O)[C@@H](CO)C2)C1=O ZINC001157933777 779918560 /nfs/dbraw/zinc/91/85/60/779918560.db2.gz CYSSHNNLNVWMBL-GRYCIOLGSA-N 0 3 299.371 -1.472 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157935144 779918634 /nfs/dbraw/zinc/91/86/34/779918634.db2.gz SFQHKMQKHMYNJE-ADEWGFFLSA-N 0 3 282.344 -1.508 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@H](O)[C@H](CO)C1 ZINC001157935812 779918730 /nfs/dbraw/zinc/91/87/30/779918730.db2.gz WKQKEDIADASYDY-DCAQKATOSA-N 0 3 285.344 -2.482 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001157943143 779919528 /nfs/dbraw/zinc/91/95/28/779919528.db2.gz BWQWKILBPNBYQG-QNFOMXJPSA-N 0 3 292.401 -1.326 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@](C)(CO)[C@H](O)C1 ZINC001157943142 779920057 /nfs/dbraw/zinc/92/00/57/779920057.db2.gz BWQWKILBPNBYQG-DWIHWTBUSA-N 0 3 292.401 -1.326 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@](C)(CO)[C@@H](O)C1 ZINC001157946043 779921057 /nfs/dbraw/zinc/92/10/57/779921057.db2.gz MEWRSSMQKNPWMN-SGMGOOAPSA-N 0 3 296.371 -1.118 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@](C)(CO)[C@H](O)C1 ZINC001157946041 779921448 /nfs/dbraw/zinc/92/14/48/779921448.db2.gz MEWRSSMQKNPWMN-OUCADQQQSA-N 0 3 296.371 -1.118 20 0 CAADHN C[C@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)C[C@@H]1O ZINC001157996494 779924021 /nfs/dbraw/zinc/92/40/21/779924021.db2.gz CLGCFBKXFKMGMW-GUBZILKMSA-N 0 3 255.318 -1.844 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192608 779929944 /nfs/dbraw/zinc/92/99/44/779929944.db2.gz ATMZNQAUNGQQCA-BIIVOSGPSA-N 0 3 251.294 -1.968 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158192608 779929947 /nfs/dbraw/zinc/92/99/47/779929947.db2.gz ATMZNQAUNGQQCA-BIIVOSGPSA-N 0 3 251.294 -1.968 20 0 CAADHN COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@@H](N)CN)C2 ZINC001158235317 779931049 /nfs/dbraw/zinc/93/10/49/779931049.db2.gz DPIDRRFCKCVOSF-LAEOZQHASA-N 0 3 257.290 -2.080 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306129 779932940 /nfs/dbraw/zinc/93/29/40/779932940.db2.gz OJHMTYPNNRZJSL-BIIVOSGPSA-N 0 3 251.294 -2.110 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001158306129 779932943 /nfs/dbraw/zinc/93/29/43/779932943.db2.gz OJHMTYPNNRZJSL-BIIVOSGPSA-N 0 3 251.294 -2.110 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCS(=O)(=O)CC1 ZINC001158370126 779933785 /nfs/dbraw/zinc/93/37/85/779933785.db2.gz PWFCFVQXSDYBBH-VIFPVBQESA-N 0 3 289.357 -2.426 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158415746 779934261 /nfs/dbraw/zinc/93/42/61/779934261.db2.gz NSZVSFSOFQWQQA-BIIVOSGPSA-N 0 3 251.294 -1.968 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001158415746 779934266 /nfs/dbraw/zinc/93/42/66/779934266.db2.gz NSZVSFSOFQWQQA-BIIVOSGPSA-N 0 3 251.294 -1.968 20 0 CAADHN NCc1cnnn1-c1cccc(S(N)(=O)=O)n1 ZINC001158426581 779934335 /nfs/dbraw/zinc/93/43/35/779934335.db2.gz AHQBQGCVNFWXDB-UHFFFAOYSA-N 0 3 254.275 -1.232 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158412428 779934352 /nfs/dbraw/zinc/93/43/52/779934352.db2.gz KHPPTFDHAILMPI-MNOVXSKESA-N 0 3 287.360 -1.208 20 0 CAADHN NCc1cnnn1-c1ncccc1S(N)(=O)=O ZINC001158420551 779934607 /nfs/dbraw/zinc/93/46/07/779934607.db2.gz UCICHWFLAHXJKC-UHFFFAOYSA-N 0 3 254.275 -1.232 20 0 CAADHN CN1CC(=O)Nc2cnc(-n3nncc3CN)nc21 ZINC001158422850 779934852 /nfs/dbraw/zinc/93/48/52/779934852.db2.gz HDJFAVUWXOZVHI-UHFFFAOYSA-N 0 3 260.261 -1.096 20 0 CAADHN NCc1cnnn1-c1ccc(S(N)(=O)=O)cn1 ZINC001158420553 779935146 /nfs/dbraw/zinc/93/51/46/779935146.db2.gz UEYNIAMIJZNVBM-UHFFFAOYSA-N 0 3 254.275 -1.232 20 0 CAADHN NCc1cnnn1-c1cc(S(N)(=O)=O)ccn1 ZINC001158427870 779935165 /nfs/dbraw/zinc/93/51/65/779935165.db2.gz IHVMGSFAHHKYAL-UHFFFAOYSA-N 0 3 254.275 -1.232 20 0 CAADHN COCCN1CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC1 ZINC001158603153 779937611 /nfs/dbraw/zinc/93/76/11/779937611.db2.gz GFTGJNQEMUWICF-JEOXALJRSA-N 0 3 291.417 -1.127 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCCC(=O)CC1 ZINC001158660407 779937709 /nfs/dbraw/zinc/93/77/09/779937709.db2.gz RWUJJSPMTQQDRK-LLVKDONJSA-N 0 3 267.329 -1.102 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567408 779937961 /nfs/dbraw/zinc/93/79/61/779937961.db2.gz HWZWDTQOZTZSLP-CIUDSAMLSA-N 0 3 297.338 -1.395 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567408 779937964 /nfs/dbraw/zinc/93/79/64/779937964.db2.gz HWZWDTQOZTZSLP-CIUDSAMLSA-N 0 3 297.338 -1.395 20 0 CAADHN CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H](N)CN)C2 ZINC001158790290 779939448 /nfs/dbraw/zinc/93/94/48/779939448.db2.gz KARDSFUASQLSSE-BDAKNGLRSA-N 0 3 282.348 -1.344 20 0 CAADHN CN(C[C@@H](O)CO)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001158800088 779939946 /nfs/dbraw/zinc/93/99/46/779939946.db2.gz RIOWIVXTIFCXOP-RKDXNWHRSA-N 0 3 259.306 -2.872 20 0 CAADHN Cn1nncc1CNCCCNC(=O)Cn1nccn1 ZINC001158922201 779941524 /nfs/dbraw/zinc/94/15/24/779941524.db2.gz UZMGILMNPPLVDR-UHFFFAOYSA-N 0 3 278.320 -1.297 20 0 CAADHN Cc1cc(C)nc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1 ZINC001158970375 779942263 /nfs/dbraw/zinc/94/22/63/779942263.db2.gz UBKDKNLCSPXIQW-JOLIMNQDSA-N 0 3 284.312 -1.090 20 0 CAADHN CN(C)c1cccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1 ZINC001158974067 779942302 /nfs/dbraw/zinc/94/23/02/779942302.db2.gz GCNYSHQFWVUTNN-LDBGNUQFSA-N 0 3 299.327 -1.641 20 0 CAADHN CN(C)c1cccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)n1 ZINC001158974061 779942328 /nfs/dbraw/zinc/94/23/28/779942328.db2.gz GCNYSHQFWVUTNN-ATZJWGMQSA-N 0 3 299.327 -1.641 20 0 CAADHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@H]21 ZINC001159109343 779943087 /nfs/dbraw/zinc/94/30/87/779943087.db2.gz RLVBZMJDCLSICG-VPOLOUISSA-N 0 3 284.360 -1.728 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCc1nnc[nH]1 ZINC001159160464 779943286 /nfs/dbraw/zinc/94/32/86/779943286.db2.gz PVEWTJSVFKXLMJ-NXEZZACHSA-N 0 3 264.333 -1.148 20 0 CAADHN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)CN)cn1 ZINC001159084831 779943339 /nfs/dbraw/zinc/94/33/39/779943339.db2.gz MLVARZNPFUPWIN-GARJFASQSA-N 0 3 292.343 -1.588 20 0 CAADHN C[C@H]1CN2CCN1C[C@H]2C(=O)NCCc1nnc[nH]1 ZINC001159160465 779943611 /nfs/dbraw/zinc/94/36/11/779943611.db2.gz PVEWTJSVFKXLMJ-UWVGGRQHSA-N 0 3 264.333 -1.148 20 0 CAADHN COC[C@H]1CN(C(=O)[C@@H](N)CN)Cc2cn(C)nc21 ZINC001159019616 779943688 /nfs/dbraw/zinc/94/36/88/779943688.db2.gz RSRLSUJEYUIAMS-ZJUUUORDSA-N 0 3 267.333 -1.222 20 0 CAADHN CNC(=O)NCC(=O)NCCCNCc1ccn(C)n1 ZINC001159341103 779947289 /nfs/dbraw/zinc/94/72/89/779947289.db2.gz KXPZABFFQHVRMZ-UHFFFAOYSA-N 0 3 282.348 -1.055 20 0 CAADHN NC[C@H](N)C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159769693 779950907 /nfs/dbraw/zinc/95/09/07/779950907.db2.gz MDUOJUIFCNDLKU-QCNOEVLYSA-N 0 3 296.371 -1.443 20 0 CAADHN COC(=O)CNC(=O)CNc1cc(CN)ncn1 ZINC001159825191 779951319 /nfs/dbraw/zinc/95/13/19/779951319.db2.gz VFAKZZNLUZYJLN-UHFFFAOYSA-N 0 3 253.262 -1.364 20 0 CAADHN COC(=O)CNC(=O)CNc1ncc2c(n1)CCNC2 ZINC001159823520 779951417 /nfs/dbraw/zinc/95/14/17/779951417.db2.gz KWOJTLOSNJUTRI-UHFFFAOYSA-N 0 3 279.300 -1.177 20 0 CAADHN CN1C[C@@H]2CN(C(=O)[C@@H](N)CC[S@](C)=O)C[C@@H]2C1=O ZINC001159884335 779952919 /nfs/dbraw/zinc/95/29/19/779952919.db2.gz CIRMHMHXJOODJE-YITVBPOHSA-N 0 3 287.385 -1.371 20 0 CAADHN CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](N)CN)C[C@H]21 ZINC001160085689 779954393 /nfs/dbraw/zinc/95/43/93/779954393.db2.gz OOBVFTRXFADQKI-QCLAVDOMSA-N 0 3 254.334 -1.499 20 0 CAADHN CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H](N)CN)CCO2 ZINC001160179185 779955378 /nfs/dbraw/zinc/95/53/78/779955378.db2.gz KFKOBCPJIQBLOS-WCQYABFASA-N 0 3 284.360 -1.488 20 0 CAADHN CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H](C)N)C2 ZINC001160171646 779955529 /nfs/dbraw/zinc/95/55/29/779955529.db2.gz PUZKYEDVKDKRAA-PRHODGIISA-N 0 3 268.317 -1.717 20 0 CAADHN CC(=O)NCc1ncn2c1CN(C(=O)[C@@H](N)CN)CCC2 ZINC001160324158 779957663 /nfs/dbraw/zinc/95/76/63/779957663.db2.gz RBBYBLJHLMOECV-JTQLQIEISA-N 0 3 294.359 -1.463 20 0 CAADHN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)CN ZINC001160439300 779960240 /nfs/dbraw/zinc/96/02/40/779960240.db2.gz JMQNJDAFULCDCP-JGVFFNPUSA-N 0 3 272.305 -2.447 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001160452004 779960818 /nfs/dbraw/zinc/96/08/18/779960818.db2.gz WPIAPZARLWKYCT-VXNVDRBHSA-N 0 3 251.290 -1.374 20 0 CAADHN NC(=O)N1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001160456757 779961152 /nfs/dbraw/zinc/96/11/52/779961152.db2.gz QSOMCGUMULKJAO-VIFPVBQESA-N 0 3 283.332 -2.460 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCC2(C1)OCCO2 ZINC001160470562 779961367 /nfs/dbraw/zinc/96/13/67/779961367.db2.gz BBXMQYHBCBEREM-SECBINFHSA-N 0 3 286.332 -1.262 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CCN(C(N)=O)CC1 ZINC001160456682 779961398 /nfs/dbraw/zinc/96/13/98/779961398.db2.gz OQSQIJZFTFHYKQ-ASCAZGACSA-N 0 3 276.362 -1.695 20 0 CAADHN NC(=O)N1CCN(C(=O)CN2CCCC[C@H](N)C2=O)CC1 ZINC001160456998 779961422 /nfs/dbraw/zinc/96/14/22/779961422.db2.gz WOPBOKYPQJWJIA-JTQLQIEISA-N 0 3 297.359 -1.451 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001160452001 779961533 /nfs/dbraw/zinc/96/15/33/779961533.db2.gz WPIAPZARLWKYCT-APPZFPTMSA-N 0 3 251.290 -1.374 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CCN(C(N)=O)CC1 ZINC001160456135 779961554 /nfs/dbraw/zinc/96/15/54/779961554.db2.gz CRZBHBJFBOQWPU-JTQLQIEISA-N 0 3 280.332 -1.487 20 0 CAADHN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)CN ZINC001160495416 779964144 /nfs/dbraw/zinc/96/41/44/779964144.db2.gz YFMKOAQUORKQIR-HAFWLYHUSA-N 0 3 291.329 -2.112 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCC12COC2 ZINC001160541931 779965298 /nfs/dbraw/zinc/96/52/98/779965298.db2.gz KQDZROUOHJDXPX-IUCAKERBSA-N 0 3 298.343 -1.915 20 0 CAADHN NC(=O)[C@@H]1CCN(C(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001160548661 779965473 /nfs/dbraw/zinc/96/54/73/779965473.db2.gz HNVHFNLEOXCPET-ZJUUUORDSA-N 0 3 282.344 -1.340 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)C1COC1 ZINC001160542463 779965555 /nfs/dbraw/zinc/96/55/55/779965555.db2.gz XREDHSKBPCJMKQ-XPUUQOCRSA-N 0 3 272.305 -2.449 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCCC12COC2 ZINC001160541648 779965803 /nfs/dbraw/zinc/96/58/03/779965803.db2.gz FWDUNUGJRQEUOQ-JTQLQIEISA-N 0 3 267.329 -1.292 20 0 CAADHN NC[C@H](N)C(=O)N1CCN(c2cccnn2)CC1 ZINC001160569843 779967082 /nfs/dbraw/zinc/96/70/82/779967082.db2.gz ILBHMWZDXZLDGG-VIFPVBQESA-N 0 3 250.306 -1.589 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001160549262 779967352 /nfs/dbraw/zinc/96/73/52/779967352.db2.gz OITVQRIWHWHKHL-SNPJHEAGSA-N 0 3 261.347 -1.584 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCC[C@@H](CCO)C1 ZINC001160610526 779968321 /nfs/dbraw/zinc/96/83/21/779968321.db2.gz FIIVJAHNLZSYDO-RYUDHWBXSA-N 0 3 283.372 -1.062 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCC[C@H](CCO)C1 ZINC001160610524 779968752 /nfs/dbraw/zinc/96/87/52/779968752.db2.gz FIIVJAHNLZSYDO-NEPJUHHUSA-N 0 3 283.372 -1.062 20 0 CAADHN CN1CCN(C2CN(C(=O)[C@@H](N)CN)C2)CC1=O ZINC001160635442 779969401 /nfs/dbraw/zinc/96/94/01/779969401.db2.gz JVOUNKLCRWNMDV-VIFPVBQESA-N 0 3 255.322 -2.743 20 0 CAADHN O=C(NCCC[NH2+]CCOCCO)c1cnc[n-]c1=O ZINC001160639486 779970664 /nfs/dbraw/zinc/97/06/64/779970664.db2.gz DWSOTWOCTKREIJ-UHFFFAOYSA-N 0 3 284.316 -1.099 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640438 779970837 /nfs/dbraw/zinc/97/08/37/779970837.db2.gz BNDRKUHGXIREHT-NXEZZACHSA-N 0 3 279.300 -1.058 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640438 779970840 /nfs/dbraw/zinc/97/08/40/779970840.db2.gz BNDRKUHGXIREHT-NXEZZACHSA-N 0 3 279.300 -1.058 20 0 CAADHN N[C@@H](CC(F)F)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160637888 779970938 /nfs/dbraw/zinc/97/09/38/779970938.db2.gz VEHWDYRECWFBDC-QMMMGPOBSA-N 0 3 276.287 -1.389 20 0 CAADHN O=C([C@@H]1C[C@@H](F)CCN1)N1CC(N2CCNC(=O)C2)C1 ZINC001160637077 779971247 /nfs/dbraw/zinc/97/12/47/779971247.db2.gz OOJPQOAFDRZHPB-ONGXEEELSA-N 0 3 284.335 -1.281 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640577 779972160 /nfs/dbraw/zinc/97/21/60/779972160.db2.gz IBAFNHLWEMBDAZ-RKDXNWHRSA-N 0 3 299.331 -1.575 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641231 779972509 /nfs/dbraw/zinc/97/25/09/779972509.db2.gz YLJBQYPDIFZERA-NXEZZACHSA-N 0 3 296.327 -2.020 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643412 779972638 /nfs/dbraw/zinc/97/26/38/779972638.db2.gz HFSSBNJNQFMQTM-BQBZGAKWSA-N 0 3 255.282 -2.744 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643412 779972642 /nfs/dbraw/zinc/97/26/42/779972642.db2.gz HFSSBNJNQFMQTM-BQBZGAKWSA-N 0 3 255.282 -2.744 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)CC1COC1 ZINC001160647291 779973397 /nfs/dbraw/zinc/97/33/97/779973397.db2.gz FUJROJIUOBYLAL-CBAPKCEASA-N 0 3 286.332 -2.201 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647539 779974471 /nfs/dbraw/zinc/97/44/71/779974471.db2.gz MCUXLQXYTPRENU-KFTBIWSRSA-N 0 3 287.385 -1.085 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)C1(C)COC1 ZINC001160667349 779976583 /nfs/dbraw/zinc/97/65/83/779976583.db2.gz HJTXVZYKSZNVJR-YUMQZZPRSA-N 0 3 286.332 -2.059 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)Cc1ccon1 ZINC001160689098 779976841 /nfs/dbraw/zinc/97/68/41/779976841.db2.gz VALITXGRYHOTIX-CBAPKCEASA-N 0 3 297.315 -1.660 20 0 CAADHN CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001160696325 779976864 /nfs/dbraw/zinc/97/68/64/779976864.db2.gz UZIWMAOQPHGBDY-IUCAKERBSA-N 0 3 267.337 -1.473 20 0 CAADHN CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001160696325 779976870 /nfs/dbraw/zinc/97/68/70/779976870.db2.gz UZIWMAOQPHGBDY-IUCAKERBSA-N 0 3 267.337 -1.473 20 0 CAADHN CN(CCC1OCCO1)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160681896 779977252 /nfs/dbraw/zinc/97/72/52/779977252.db2.gz AOBYNSYSTPRIQB-JTQLQIEISA-N 0 3 285.344 -1.462 20 0 CAADHN COC(CN(C)C(=O)[C@H]1COC2(CNC2)CN1)OC ZINC001160684708 779977399 /nfs/dbraw/zinc/97/73/99/779977399.db2.gz ZKFOSFUTJLBHAX-SECBINFHSA-N 0 3 273.333 -1.606 20 0 CAADHN COC(CN(C)C(=O)[C@H](N)CCCNC(N)=O)OC ZINC001160684631 779977427 /nfs/dbraw/zinc/97/74/27/779977427.db2.gz XBMWNUFFSKQQCD-MRVPVSSYSA-N 0 3 276.337 -1.161 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CCO1 ZINC001160703824 779977449 /nfs/dbraw/zinc/97/74/49/779977449.db2.gz FJYMWXVGYCHLDM-BDAKNGLRSA-N 0 3 284.316 -2.971 20 0 CAADHN COC(=O)[C@H](C)N(C)C(=O)[C@H](N)CCCNC(N)=O ZINC001160718319 779978105 /nfs/dbraw/zinc/97/81/05/779978105.db2.gz FDXPMEBMFFAJSJ-JGVFFNPUSA-N 0 3 274.321 -1.218 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@H](N)Cc2c[nH]cn2)CCO1 ZINC001160704559 779978446 /nfs/dbraw/zinc/97/84/46/779978446.db2.gz LUGSAQDZAATONF-RKDXNWHRSA-N 0 3 267.289 -2.008 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@H](N)Cc2cnc[nH]2)CCO1 ZINC001160704559 779978453 /nfs/dbraw/zinc/97/84/53/779978453.db2.gz LUGSAQDZAATONF-RKDXNWHRSA-N 0 3 267.289 -2.008 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H](F)CCN2)CCO1 ZINC001160704858 779978534 /nfs/dbraw/zinc/97/85/34/779978534.db2.gz PNVDUAHYYCCNIG-CIUDSAMLSA-N 0 3 259.281 -1.211 20 0 CAADHN COC(=O)[C@H](C)N(C)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160718659 779980030 /nfs/dbraw/zinc/98/00/30/779980030.db2.gz PSLJMWHPYWSVAC-DTWKUNHWSA-N 0 3 271.317 -1.663 20 0 CAADHN CCN(CC(C)(C)O)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160755315 779980164 /nfs/dbraw/zinc/98/01/64/779980164.db2.gz CVDHZQOXEIXDPG-SNVBAGLBSA-N 0 3 271.361 -1.064 20 0 CAADHN C[C@@H]1CO[C@@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]12 ZINC001160756452 779980171 /nfs/dbraw/zinc/98/01/71/779980171.db2.gz KXDNLOIXUBDYLZ-DDHJBXDOSA-N 0 3 281.356 -1.190 20 0 CAADHN NC[C@H](N)C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160743206 779980204 /nfs/dbraw/zinc/98/02/04/779980204.db2.gz USRSSHFUKWKTIV-NSHDSACASA-N 0 3 284.360 -1.441 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789384 779981049 /nfs/dbraw/zinc/98/10/49/779981049.db2.gz BNQLGYCHIGDBHM-QWRGUYRKSA-N 0 3 293.327 -1.651 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789384 779981056 /nfs/dbraw/zinc/98/10/56/779981056.db2.gz BNQLGYCHIGDBHM-QWRGUYRKSA-N 0 3 293.327 -1.651 20 0 CAADHN NC1(C(=O)N2CCC3(CC2)CNC(=O)CO3)CC1 ZINC001160772341 779981410 /nfs/dbraw/zinc/98/14/10/779981410.db2.gz RKHCZDVZUDNSID-UHFFFAOYSA-N 0 3 253.302 -1.015 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2CCn3nncc3C2)C1=O ZINC001160833425 779982638 /nfs/dbraw/zinc/98/26/38/779982638.db2.gz RJCOKPSSZWTQFO-NSHDSACASA-N 0 3 292.343 -1.040 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCn2nncc2C1 ZINC001160833934 779982754 /nfs/dbraw/zinc/98/27/54/779982754.db2.gz VKRDJSFAFNNSRS-SECBINFHSA-N 0 3 281.320 -1.604 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CCn2nncc2C1 ZINC001160831573 779982853 /nfs/dbraw/zinc/98/28/53/779982853.db2.gz AUMDAQFRIKDKPW-SNVBAGLBSA-N 0 3 261.289 -1.087 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CCn2nncc2C1 ZINC001160831573 779982856 /nfs/dbraw/zinc/98/28/56/779982856.db2.gz AUMDAQFRIKDKPW-SNVBAGLBSA-N 0 3 261.289 -1.087 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCn2nncc2C1 ZINC001160831572 779982931 /nfs/dbraw/zinc/98/29/31/779982931.db2.gz AUMDAQFRIKDKPW-JTQLQIEISA-N 0 3 261.289 -1.087 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCn2nncc2C1 ZINC001160831572 779982935 /nfs/dbraw/zinc/98/29/35/779982935.db2.gz AUMDAQFRIKDKPW-JTQLQIEISA-N 0 3 261.289 -1.087 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001160839968 779983512 /nfs/dbraw/zinc/98/35/12/779983512.db2.gz SHNXKUQBMLXVPE-IUCAKERBSA-N 0 3 256.306 -1.543 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)[C@@H]1COCCN1 ZINC001160837601 779983845 /nfs/dbraw/zinc/98/38/45/779983845.db2.gz CDGGXHYIAMKLMB-QWRGUYRKSA-N 0 3 257.334 -1.236 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@H](N)Cc2c[nH]cn2)CCN1C ZINC001160871215 779985574 /nfs/dbraw/zinc/98/55/74/779985574.db2.gz RNYBSIMSVADFNP-MNOVXSKESA-N 0 3 295.343 -1.405 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@H](N)Cc2cnc[nH]2)CCN1C ZINC001160871215 779985576 /nfs/dbraw/zinc/98/55/76/779985576.db2.gz RNYBSIMSVADFNP-MNOVXSKESA-N 0 3 295.343 -1.405 20 0 CAADHN COC(=O)c1cn2c(n1)CN(C(=O)[C@@H](N)CN)CC2 ZINC001160901317 779986669 /nfs/dbraw/zinc/98/66/69/779986669.db2.gz CCNSYBIYBJNEKL-ZETCQYMHSA-N 0 3 267.289 -1.702 20 0 CAADHN CC(C)(C)C(=O)N1CCN(C(=O)[C@@H](N)CN)CC1 ZINC001160947444 779987717 /nfs/dbraw/zinc/98/77/17/779987717.db2.gz HLHNCKMQZQGFKN-VIFPVBQESA-N 0 3 256.350 -1.011 20 0 CAADHN C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H](N)Cc1nnn[n-]1)C2 ZINC001160962637 779987814 /nfs/dbraw/zinc/98/78/14/779987814.db2.gz FBKWMAXJQLFQRO-VDDIYKPWSA-N 0 3 279.348 -1.520 20 0 CAADHN C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H](N)Cc1nn[n-]n1)C2 ZINC001160962637 779987817 /nfs/dbraw/zinc/98/78/17/779987817.db2.gz FBKWMAXJQLFQRO-VDDIYKPWSA-N 0 3 279.348 -1.520 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000042 779989026 /nfs/dbraw/zinc/98/90/26/779989026.db2.gz OIGSGLNOBSFBGV-IUCAKERBSA-N 0 3 295.347 -2.215 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000042 779989030 /nfs/dbraw/zinc/98/90/30/779989030.db2.gz OIGSGLNOBSFBGV-IUCAKERBSA-N 0 3 295.347 -2.215 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCN[C@H](C)C1 ZINC001161020588 779990481 /nfs/dbraw/zinc/99/04/81/779990481.db2.gz QYVJPEMUXWUPCK-VGMNWLOBSA-N 0 3 258.322 -2.369 20 0 CAADHN NC(=S)C1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001161030696 779991268 /nfs/dbraw/zinc/99/12/68/779991268.db2.gz FMHMTQBXWQXBJC-SNVBAGLBSA-N 0 3 298.412 -1.159 20 0 CAADHN NC(=S)C1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001161030695 779991554 /nfs/dbraw/zinc/99/15/54/779991554.db2.gz FMHMTQBXWQXBJC-JTQLQIEISA-N 0 3 298.412 -1.159 20 0 CAADHN CN(C(=O)[C@@H](N)Cc1nnn[n-]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058165 779992048 /nfs/dbraw/zinc/99/20/48/779992048.db2.gz OYGGFBVVWNHREH-XHNCKOQMSA-N 0 3 267.337 -1.202 20 0 CAADHN CN(C(=O)[C@@H](N)Cc1nn[n-]n1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058165 779992051 /nfs/dbraw/zinc/99/20/51/779992051.db2.gz OYGGFBVVWNHREH-XHNCKOQMSA-N 0 3 267.337 -1.202 20 0 CAADHN CCCN(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001161038038 779992587 /nfs/dbraw/zinc/99/25/87/779992587.db2.gz AFOCROTZGVTSDK-YUMQZZPRSA-N 0 3 258.322 -1.438 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)C1=O ZINC001161085359 779994462 /nfs/dbraw/zinc/99/44/62/779994462.db2.gz VGUGFTKUZSZEIG-GUBZILKMSA-N 0 3 281.312 -1.148 20 0 CAADHN COc1cc(N2CCN(C(=O)[C@@H](N)CN)CC2)ncn1 ZINC001161092858 779994804 /nfs/dbraw/zinc/99/48/04/779994804.db2.gz CNYDQIKQSOASES-VIFPVBQESA-N 0 3 280.332 -1.580 20 0 CAADHN COC(=O)[C@]1(N)CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161138207 779996904 /nfs/dbraw/zinc/99/69/04/779996904.db2.gz PHCVEGPSRHTSNI-ZANVPECISA-N 0 3 298.343 -2.580 20 0 CAADHN COC(=O)[C@@]1(N)CCN(C(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001161138358 779996947 /nfs/dbraw/zinc/99/69/47/779996947.db2.gz SUXLNAPQZGOMFM-FJJSUARNSA-N 0 3 291.373 -1.815 20 0 CAADHN COC(=O)[C@]1(N)CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001161138234 779997487 /nfs/dbraw/zinc/99/74/87/779997487.db2.gz QAQBWAOOXHSDIW-CABZTGNLSA-N 0 3 281.316 -1.618 20 0 CAADHN COC(=O)[C@@]1(N)CCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161138204 779998069 /nfs/dbraw/zinc/99/80/69/779998069.db2.gz PHCVEGPSRHTSNI-NOZJJQNGSA-N 0 3 298.343 -2.580 20 0 CAADHN CO[C@H](C)C1CN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161146731 779999180 /nfs/dbraw/zinc/99/91/80/779999180.db2.gz RSSJZIALYLAAIX-MWLCHTKSSA-N 0 3 269.345 -1.190 20 0 CAADHN NC[C@H](N)C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161173390 780000850 /nfs/dbraw/zinc/00/08/50/780000850.db2.gz YOVAMPBWCMRMEF-ZJUUUORDSA-N 0 3 253.306 -1.738 20 0 CAADHN CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3nnn[n-]3)C[C@@H]2C1 ZINC001161174983 780001265 /nfs/dbraw/zinc/00/12/65/780001265.db2.gz HWTLUPMLSMFKJD-DCAQKATOSA-N 0 3 293.375 -1.130 20 0 CAADHN CCC[NH+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3nn[n-]n3)C[C@@H]2C1 ZINC001161174983 780001269 /nfs/dbraw/zinc/00/12/69/780001269.db2.gz HWTLUPMLSMFKJD-DCAQKATOSA-N 0 3 293.375 -1.130 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC001161231717 780003073 /nfs/dbraw/zinc/00/30/73/780003073.db2.gz NNRBYUUORSAHSN-XKNYDFJKSA-N 0 3 272.349 -1.981 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001161239069 780003125 /nfs/dbraw/zinc/00/31/25/780003125.db2.gz WSYPALAEBVSROP-QWRGUYRKSA-N 0 3 295.343 -1.405 20 0 CAADHN CCS(=O)(=O)NC1CCN(C(=O)[C@@H](N)CN)CC1 ZINC001161260050 780005816 /nfs/dbraw/zinc/00/58/16/780005816.db2.gz HLBXXXXTUSZLJN-VIFPVBQESA-N 0 3 278.378 -1.797 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)C2(N)CC2)CCN1C(C)=O ZINC001161296050 780006866 /nfs/dbraw/zinc/00/68/66/780006866.db2.gz OIKHJUQHNJQNLS-SECBINFHSA-N 0 3 269.301 -1.290 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@@H](C)N)CCN1C(C)=O ZINC001161295509 780006907 /nfs/dbraw/zinc/00/69/07/780006907.db2.gz KRAHMFXAUURMNQ-APPZFPTMSA-N 0 3 257.290 -1.434 20 0 CAADHN COc1cnc(O[C@@H]2CCN(C(=O)[C@@H](N)CN)C2)nc1 ZINC001161299700 780007520 /nfs/dbraw/zinc/00/75/20/780007520.db2.gz YGEQDLIWEOZBLF-SCZZXKLOSA-N 0 3 281.316 -1.249 20 0 CAADHN CCN(C(=O)[C@@H](N)Cc1nnn[n-]1)[C@@H]1CCC[NH2+]C1 ZINC001161329689 780007683 /nfs/dbraw/zinc/00/76/83/780007683.db2.gz BXHYLKGLKKSWLE-BDAKNGLRSA-N 0 3 267.337 -1.330 20 0 CAADHN CCN(C(=O)[C@@H](N)Cc1nn[n-]n1)[C@@H]1CCC[NH2+]C1 ZINC001161329689 780007689 /nfs/dbraw/zinc/00/76/89/780007689.db2.gz BXHYLKGLKKSWLE-BDAKNGLRSA-N 0 3 267.337 -1.330 20 0 CAADHN CC[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)C(N)=O ZINC001161377438 780010465 /nfs/dbraw/zinc/01/04/65/780010465.db2.gz JWFBKFREEYFEOP-NXEZZACHSA-N 0 3 254.334 -1.244 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCN2CC[C@H]2C1 ZINC001161420898 780011455 /nfs/dbraw/zinc/01/14/55/780011455.db2.gz LFSJKDPWPGWETF-VHSXEESVSA-N 0 3 269.349 -1.321 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CCN2CC[C@H]2C1 ZINC001161423979 780011726 /nfs/dbraw/zinc/01/17/26/780011726.db2.gz VCDSJNLHXFBXQT-YMNVWFMLSA-N 0 3 259.375 -1.001 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCN2CC[C@@H]2C1 ZINC001161420897 780012957 /nfs/dbraw/zinc/01/29/57/780012957.db2.gz LFSJKDPWPGWETF-NXEZZACHSA-N 0 3 269.349 -1.321 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)C[C@@H]1C ZINC001161459482 780013881 /nfs/dbraw/zinc/01/38/81/780013881.db2.gz LVNBGURJENLBJQ-GARJFASQSA-N 0 3 297.355 -1.416 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)N1CCN2CC[C@H]2C1 ZINC001161424111 780014178 /nfs/dbraw/zinc/01/41/78/780014178.db2.gz YZPXEFIPQIQLKU-QWRGUYRKSA-N 0 3 266.345 -1.147 20 0 CAADHN C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001161489418 780015012 /nfs/dbraw/zinc/01/50/12/780015012.db2.gz MQEIFIDCZAKBSA-KWQFWETISA-N 0 3 267.337 -1.343 20 0 CAADHN C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001161489418 780015017 /nfs/dbraw/zinc/01/50/17/780015017.db2.gz MQEIFIDCZAKBSA-KWQFWETISA-N 0 3 267.337 -1.343 20 0 CAADHN CN1C(=O)CC[C@H]2CN(C(=O)[C@@H](N)CN)CC[C@@H]21 ZINC001161483376 780015319 /nfs/dbraw/zinc/01/53/19/780015319.db2.gz LZCZFCDUDWRFPN-GUBZILKMSA-N 0 3 254.334 -1.258 20 0 CAADHN CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H](N)CN)CC[C@H]21 ZINC001161483378 780015984 /nfs/dbraw/zinc/01/59/84/780015984.db2.gz LZCZFCDUDWRFPN-KXUCPTDWSA-N 0 3 254.334 -1.258 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161492608 780017037 /nfs/dbraw/zinc/01/70/37/780017037.db2.gz RQUWNYGQPMHRCD-NGZCFLSTSA-N 0 3 278.312 -1.047 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161492608 780017049 /nfs/dbraw/zinc/01/70/49/780017049.db2.gz RQUWNYGQPMHRCD-NGZCFLSTSA-N 0 3 278.312 -1.047 20 0 CAADHN C[C@@H]1CN(C2CN(C(=O)[C@@H](N)CN)C2)C[C@H](C)O1 ZINC001161493467 780017184 /nfs/dbraw/zinc/01/71/84/780017184.db2.gz NLJCPPOCPHFSTE-NGZCFLSTSA-N 0 3 256.350 -1.408 20 0 CAADHN CN(C1CN(C(=O)[C@@H]2COCN2)C1)[C@H]1CCOC1 ZINC001161498568 780017632 /nfs/dbraw/zinc/01/76/32/780017632.db2.gz KAFKWXNQKWMAGO-ONGXEEELSA-N 0 3 255.318 -1.136 20 0 CAADHN CC(=O)[C@@H]1CCCN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001161527045 780020525 /nfs/dbraw/zinc/02/05/25/780020525.db2.gz VMXBZQOVFVUJDX-QWRGUYRKSA-N 0 3 267.329 -1.103 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC2(CN(C)C2)C1 ZINC001161532070 780020546 /nfs/dbraw/zinc/02/05/46/780020546.db2.gz MIFQZCZUTRIBHD-IUCAKERBSA-N 0 3 270.333 -2.415 20 0 CAADHN CC(=O)[C@@H]1CCCN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001161527043 780020830 /nfs/dbraw/zinc/02/08/30/780020830.db2.gz VMXBZQOVFVUJDX-MNOVXSKESA-N 0 3 267.329 -1.103 20 0 CAADHN CN1CC2(C1)CN(C(=O)[C@@H]([NH3+])Cc1nnn[n-]1)C2 ZINC001161532071 780022011 /nfs/dbraw/zinc/02/20/11/780022011.db2.gz MJLCAXIICZNZEU-ZETCQYMHSA-N 0 3 251.294 -2.157 20 0 CAADHN COCCOC1CN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161572396 780023045 /nfs/dbraw/zinc/02/30/45/780023045.db2.gz MRCSJQQSVQPOFV-NSHDSACASA-N 0 3 285.344 -1.809 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCNC2(CC2)C1 ZINC001161550477 780023107 /nfs/dbraw/zinc/02/31/07/780023107.db2.gz JRTBJTMEYBPDFG-IUCAKERBSA-N 0 3 297.359 -2.342 20 0 CAADHN COCCOC1CN(C(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001161572711 780023395 /nfs/dbraw/zinc/02/33/95/780023395.db2.gz XCXIAOSJEFDTAR-YPMLDQLKSA-N 0 3 278.374 -1.044 20 0 CAADHN CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H](N)CN)C2 ZINC001161602423 780024506 /nfs/dbraw/zinc/02/45/06/780024506.db2.gz ZGRYCJYQHOZBAA-QMMMGPOBSA-N 0 3 281.316 -1.275 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001161628355 780024828 /nfs/dbraw/zinc/02/48/28/780024828.db2.gz PTCABZJZNZXHES-JTQLQIEISA-N 0 3 294.359 -1.063 20 0 CAADHN CN1CCN(C)[C@@H](CNC(=O)[C@H]2CNCCO2)C1 ZINC000250358525 780028798 /nfs/dbraw/zinc/02/87/98/780028798.db2.gz AZSAAYLHCSZFET-WDEREUQCSA-N 0 3 256.350 -1.663 20 0 CAADHN CS(=O)(=O)N(CC[NH3+])c1ccc(-c2nnn[n-]2)nc1 ZINC001162129399 780030400 /nfs/dbraw/zinc/03/04/00/780030400.db2.gz YSVBSPWTABLZFQ-UHFFFAOYSA-N 0 3 283.317 -1.014 20 0 CAADHN N[C@@H]1NCN(c2ncnc3c2CCNC3)[C@@H]2NCN[C@H]21 ZINC001162437786 780037338 /nfs/dbraw/zinc/03/73/38/780037338.db2.gz VPDTYCHVGOJJSA-UMNHJUIQSA-N 0 3 276.348 -2.381 20 0 CAADHN N[C@@H]1NCN(c2nnc(Cl)c3nc[nH]c32)[C@@H]2NCN[C@@H]21 ZINC001162439751 780042299 /nfs/dbraw/zinc/04/22/99/780042299.db2.gz OHATWANADXHIST-VDAHYXPESA-N 0 3 295.738 -1.497 20 0 CAADHN NCc1cc(N2CN[C@H](N)[C@H]3NCN[C@@H]32)ncn1 ZINC001162440753 780044786 /nfs/dbraw/zinc/04/47/86/780044786.db2.gz UWSOETABPFWWJN-KXUCPTDWSA-N 0 3 250.310 -2.568 20 0 CAADHN NCc1cc(N2CN[C@H](N)[C@@H]3NCN[C@@H]32)ncn1 ZINC001162440754 780044980 /nfs/dbraw/zinc/04/49/80/780044980.db2.gz UWSOETABPFWWJN-LPEHRKFASA-N 0 3 250.310 -2.568 20 0 CAADHN N[C@@H]1NCN(c2cc3c(nn2)CCNC3)[C@H]2NCN[C@H]21 ZINC001162443933 780048279 /nfs/dbraw/zinc/04/82/79/780048279.db2.gz AUQJIQMBTQNCEJ-QJPTWQEYSA-N 0 3 276.348 -2.381 20 0 CAADHN N[C@@H]1NCN(c2cc3c(nn2)CCNC3)[C@@H]2NCN[C@H]21 ZINC001162443934 780048521 /nfs/dbraw/zinc/04/85/21/780048521.db2.gz AUQJIQMBTQNCEJ-TUAOUCFPSA-N 0 3 276.348 -2.381 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCCNCc1cnnn1C ZINC001163912756 780063310 /nfs/dbraw/zinc/06/33/10/780063310.db2.gz MVFJELODJWVYEA-SECBINFHSA-N 0 3 282.348 -1.078 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001163925759 780065515 /nfs/dbraw/zinc/06/55/15/780065515.db2.gz YGTLCUDSIPDNFT-MNOVXSKESA-N 0 3 294.359 -1.078 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001163925760 780065801 /nfs/dbraw/zinc/06/58/01/780065801.db2.gz YGTLCUDSIPDNFT-QWRGUYRKSA-N 0 3 294.359 -1.078 20 0 CAADHN CN(c1ccc(C(N)=O)nc1)S(=O)(=O)CCN ZINC001164296601 780072917 /nfs/dbraw/zinc/07/29/17/780072917.db2.gz GSUYARZJGWIXIT-UHFFFAOYSA-N 0 3 258.303 -1.095 20 0 CAADHN CN(C)C1CN(c2ccc(S(N)(=O)=O)nn2)C1 ZINC001163943070 780067348 /nfs/dbraw/zinc/06/73/48/780067348.db2.gz YEMPJCXDQAVEEQ-UHFFFAOYSA-N 0 3 257.319 -1.126 20 0 CAADHN Cn1nnc(C(=O)NCCCNCc2cnns2)n1 ZINC001164158055 780069383 /nfs/dbraw/zinc/06/93/83/780069383.db2.gz OQHYOBXTBFBZAB-UHFFFAOYSA-N 0 3 282.333 -1.029 20 0 CAADHN CN(c1nn(C)c(=O)n(C)c1=O)S(=O)(=O)CCN ZINC001164297572 780070726 /nfs/dbraw/zinc/07/07/26/780070726.db2.gz YNCZNJPBQYYXQE-UHFFFAOYSA-N 0 3 277.306 -2.796 20 0 CAADHN CN(c1ncnc2c1CC(=O)N2)S(=O)(=O)CCN ZINC001164287584 780070946 /nfs/dbraw/zinc/07/09/46/780070946.db2.gz ISCZHMTYAKHEKI-UHFFFAOYSA-N 0 3 271.302 -1.304 20 0 CAADHN CN(c1cnc(C(N)=O)nc1)S(=O)(=O)CCN ZINC001164296689 780071796 /nfs/dbraw/zinc/07/17/96/780071796.db2.gz LGGQEFSDZUNCPH-UHFFFAOYSA-N 0 3 259.291 -1.700 20 0 CAADHN COC(=O)Cc1ncc(N(C)S(=O)(=O)CCN)cn1 ZINC001164296120 780071881 /nfs/dbraw/zinc/07/18/81/780071881.db2.gz AKEYHVRIWASDAL-UHFFFAOYSA-N 0 3 288.329 -1.083 20 0 CAADHN CN(c1ncnc2[nH]cc(C(N)=O)c21)S(=O)(=O)CCN ZINC001164292439 780072128 /nfs/dbraw/zinc/07/21/28/780072128.db2.gz LQOIJDHIDGIYQG-UHFFFAOYSA-N 0 3 298.328 -1.219 20 0 CAADHN CCn1ncc(N(C)S(=O)(=O)CCN)cc1=O ZINC001164300375 780072327 /nfs/dbraw/zinc/07/23/27/780072327.db2.gz OTSKZMYSTNHDPQ-UHFFFAOYSA-N 0 3 260.319 -1.012 20 0 CAADHN CN(c1cncc2nncn21)S(=O)(=O)CCN ZINC001164300460 780072396 /nfs/dbraw/zinc/07/23/96/780072396.db2.gz QQQYNSDBOAEVSE-UHFFFAOYSA-N 0 3 256.291 -1.151 20 0 CAADHN COCCn1cc(N(C)S(=O)(=O)CCN)ncc1=O ZINC001164300348 780072414 /nfs/dbraw/zinc/07/24/14/780072414.db2.gz NJWGFEUUOOISIR-UHFFFAOYSA-N 0 3 290.345 -1.386 20 0 CAADHN CN(c1ccc(S(C)(=O)=O)nn1)S(=O)(=O)CCN ZINC001164288423 780072542 /nfs/dbraw/zinc/07/25/42/780072542.db2.gz OXBLZVQKLZZRRL-UHFFFAOYSA-N 0 3 294.358 -1.395 20 0 CAADHN COC(=O)c1cncc(N(C)S(=O)(=O)CCN)n1 ZINC001164297184 780072605 /nfs/dbraw/zinc/07/26/05/780072605.db2.gz XGTGTZYDJKZAMQ-UHFFFAOYSA-N 0 3 274.302 -1.012 20 0 CAADHN CN(c1cnc([S@](C)=O)nc1)S(=O)(=O)CCN ZINC001164299871 780072724 /nfs/dbraw/zinc/07/27/24/780072724.db2.gz BAVDQSCRHJUOLY-INIZCTEOSA-N 0 3 278.359 -1.061 20 0 CAADHN CN(c1ccnc(C(N)=O)c1)S(=O)(=O)CCN ZINC001164297115 780072824 /nfs/dbraw/zinc/07/28/24/780072824.db2.gz VEGZCLUCTJGCAK-UHFFFAOYSA-N 0 3 258.303 -1.095 20 0 CAADHN CN(C)C(=O)c1ccc(N(C)S(=O)(=O)CCN)nn1 ZINC001164292621 780072871 /nfs/dbraw/zinc/07/28/71/780072871.db2.gz UVZFAPXEHOPIBR-UHFFFAOYSA-N 0 3 287.345 -1.097 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NCCC[NH2+]CC(N)=O ZINC001164432257 780073396 /nfs/dbraw/zinc/07/33/96/780073396.db2.gz BPICBCRZJORLMM-UHFFFAOYSA-N 0 3 267.289 -1.315 20 0 CAADHN CNC(=O)C[NH2+]CCCNC(=O)c1c(C)nc[n-]c1=O ZINC001164426844 780073696 /nfs/dbraw/zinc/07/36/96/780073696.db2.gz YPVFFZYEAWSNCE-UHFFFAOYSA-N 0 3 281.316 -1.054 20 0 CAADHN CN1CCN(C2CN(c3cc(CN)ncn3)C2)CC1=O ZINC001165110713 780076235 /nfs/dbraw/zinc/07/62/35/780076235.db2.gz BSRUICCBRRLFPH-UHFFFAOYSA-N 0 3 276.344 -1.102 20 0 CAADHN Cn1ccc(CNCCCNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001165466212 780080369 /nfs/dbraw/zinc/08/03/69/780080369.db2.gz DVIFAKFJGMKFDH-JTQLQIEISA-N 0 3 280.332 -1.303 20 0 CAADHN Cn1ccnc1CNCCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001165468394 780081756 /nfs/dbraw/zinc/08/17/56/780081756.db2.gz SAUFTKNTSVPBHQ-VIFPVBQESA-N 0 3 280.332 -1.303 20 0 CAADHN CCn1ccnc1CNCCCNC(=O)C(N)=O ZINC001165612997 780085144 /nfs/dbraw/zinc/08/51/44/780085144.db2.gz HMZVOMOYXATJMR-UHFFFAOYSA-N 0 3 253.306 -1.016 20 0 CAADHN COc1cncc(CNCCCNC(=O)C(N)=O)n1 ZINC001165624288 780086186 /nfs/dbraw/zinc/08/61/86/780086186.db2.gz KDXBNMIYFYKOHR-UHFFFAOYSA-N 0 3 267.289 -1.434 20 0 CAADHN NC(=O)C(=O)NCCCNCC(=O)Nc1nccs1 ZINC001165614700 780086308 /nfs/dbraw/zinc/08/63/08/780086308.db2.gz ZPIYTPWBAQUGIZ-UHFFFAOYSA-N 0 3 285.329 -1.337 20 0 CAADHN CCn1ccc(CNCCCNC(=O)C(N)=O)n1 ZINC001165625235 780086830 /nfs/dbraw/zinc/08/68/30/780086830.db2.gz UXGVOFVIWFFLOW-UHFFFAOYSA-N 0 3 253.306 -1.016 20 0 CAADHN NC(=O)C(=O)NCCCNCC(=O)Nc1ccc(O)cc1 ZINC001165645644 780086861 /nfs/dbraw/zinc/08/68/61/780086861.db2.gz NQNJRYHTUMTYDR-UHFFFAOYSA-N 0 3 294.311 -1.088 20 0 CAADHN Cc1n[nH]c(C)c1NC(=O)CNCCCNC(=O)C(N)=O ZINC001165645438 780087306 /nfs/dbraw/zinc/08/73/06/780087306.db2.gz JNQLCGKNBPYMIF-UHFFFAOYSA-N 0 3 296.331 -1.454 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@]1(C)CCNC1=O ZINC001166552925 780091407 /nfs/dbraw/zinc/09/14/07/780091407.db2.gz NUUULLQIGWZNAG-ZDUSSCGKSA-N 0 3 294.359 -1.063 20 0 CAADHN CS(=O)(=O)N(c1ccc(C(N)=O)nn1)C1CNC1 ZINC001166966502 780099396 /nfs/dbraw/zinc/09/93/96/780099396.db2.gz FXLLIWBJYJIJLN-UHFFFAOYSA-N 0 3 271.302 -1.687 20 0 CAADHN Cc1nc(N(C)C)nc(N(C2CNC2)S(C)(=O)=O)n1 ZINC001166968115 780100420 /nfs/dbraw/zinc/10/04/20/780100420.db2.gz HYNOLWYCDDNQSI-UHFFFAOYSA-N 0 3 286.361 -1.016 20 0 CAADHN CS(=O)(=O)N(c1cncc(-n2cncn2)n1)C1CNC1 ZINC001166970716 780100511 /nfs/dbraw/zinc/10/05/11/780100511.db2.gz UUTAUYQTHBXFIS-UHFFFAOYSA-N 0 3 295.328 -1.205 20 0 CAADHN CCNC(=O)c1ccc(N(C2CNC2)S(C)(=O)=O)nn1 ZINC001166969998 780100599 /nfs/dbraw/zinc/10/05/99/780100599.db2.gz CFTIYHSLRWWXDS-UHFFFAOYSA-N 0 3 299.356 -1.036 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001206137133 780109689 /nfs/dbraw/zinc/10/96/89/780109689.db2.gz LKMQWDREKYQTBC-MWLCHTKSSA-N 0 3 257.334 -1.107 20 0 CAADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001206564922 780110844 /nfs/dbraw/zinc/11/08/44/780110844.db2.gz GXPMJWFNPDLFGX-DDHJBXDOSA-N 0 3 299.371 -1.291 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001206564935 780110923 /nfs/dbraw/zinc/11/09/23/780110923.db2.gz GXPMJWFNPDLFGX-WRWGMCAJSA-N 0 3 299.371 -1.291 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001206565313 780111003 /nfs/dbraw/zinc/11/10/03/780111003.db2.gz NEFRREMZSMOCRY-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CCOCCO)C[C@H]1C ZINC001206900671 780112827 /nfs/dbraw/zinc/11/28/27/780112827.db2.gz MXTJGWJWWFKPLY-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CCn2cncn2)C[C@H]1C ZINC001206900901 780113043 /nfs/dbraw/zinc/11/30/43/780113043.db2.gz XKEYAXKKYNDCEL-GHMZBOCLSA-N 0 3 294.359 -1.149 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001206905201 780113706 /nfs/dbraw/zinc/11/37/06/780113706.db2.gz IMZYDARSFTUKBD-HRDYMLBCSA-N 0 3 258.322 -1.528 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001206928085 780113871 /nfs/dbraw/zinc/11/38/71/780113871.db2.gz GTQSNCYKSNETAA-OUAUKWLOSA-N 0 3 297.359 -1.128 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)COC)C1 ZINC001206981120 780114059 /nfs/dbraw/zinc/11/40/59/780114059.db2.gz YSAQUHAVSJQCOS-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001207065391 780114077 /nfs/dbraw/zinc/11/40/77/780114077.db2.gz CATYWCCXMZMIGZ-GMTAPVOTSA-N 0 3 287.360 -1.434 20 0 CAADHN C[C@@H](CC(=O)N[C@@H]1CN(CCO)C[C@H]1C)NC(N)=O ZINC001206971562 780114720 /nfs/dbraw/zinc/11/47/20/780114720.db2.gz SGSLIEIOBDJSRU-KXUCPTDWSA-N 0 3 272.349 -1.138 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207257937 780115291 /nfs/dbraw/zinc/11/52/91/780115291.db2.gz AVIOCPAIIUGIKT-JTQLQIEISA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 ZINC001207243514 780115372 /nfs/dbraw/zinc/11/53/72/780115372.db2.gz XMUWULUODMNTGS-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001207107129 780115767 /nfs/dbraw/zinc/11/57/67/780115767.db2.gz DKJUUJZJLWHNFA-GHMZBOCLSA-N 0 3 282.344 -1.408 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001207107938 780115795 /nfs/dbraw/zinc/11/57/95/780115795.db2.gz KFOIEXJRJVHPLL-PSASIEDQSA-N 0 3 270.333 -1.423 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC001207160478 780115951 /nfs/dbraw/zinc/11/59/51/780115951.db2.gz YLXCDTUZJFIJAP-VHSXEESVSA-N 0 3 298.343 -1.059 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207258194 780115974 /nfs/dbraw/zinc/11/59/74/780115974.db2.gz HWPZMAIJPIUJQP-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207258020 780116071 /nfs/dbraw/zinc/11/60/71/780116071.db2.gz CMEIQLRKBKPZEQ-VIFPVBQESA-N 0 3 285.348 -1.677 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001207099711 780116082 /nfs/dbraw/zinc/11/60/82/780116082.db2.gz IRXWBOPTLCVHPX-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001207178140 780116232 /nfs/dbraw/zinc/11/62/32/780116232.db2.gz NQJNZYXATGGGLK-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)C1=O ZINC001207266697 780116888 /nfs/dbraw/zinc/11/68/88/780116888.db2.gz JUNQJQLFCNKXQF-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001207441281 780116910 /nfs/dbraw/zinc/11/69/10/780116910.db2.gz OVONLWWYFJZOOW-GXSJLCMTSA-N 0 3 284.360 -1.081 20 0 CAADHN NC(=O)NCC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC001207259184 780116921 /nfs/dbraw/zinc/11/69/21/780116921.db2.gz YLYSLCRSUHTJTF-SNVBAGLBSA-N 0 3 297.359 -1.532 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)CNC(N)=O)C1)C(N)=O ZINC001207266915 780116951 /nfs/dbraw/zinc/11/69/51/780116951.db2.gz MJLIRKABVQNGRI-YUMQZZPRSA-N 0 3 271.321 -1.891 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)CNC(N)=O)C1)C(N)=O ZINC001207266914 780117091 /nfs/dbraw/zinc/11/70/91/780117091.db2.gz MJLIRKABVQNGRI-SFYZADRCSA-N 0 3 271.321 -1.891 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC001207392466 780117266 /nfs/dbraw/zinc/11/72/66/780117266.db2.gz HHJPQCXMOFYULT-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001207391488 780117322 /nfs/dbraw/zinc/11/73/22/780117322.db2.gz BLVNPVOFRITKLO-QMMMGPOBSA-N 0 3 294.315 -1.201 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207259290 780117443 /nfs/dbraw/zinc/11/74/43/780117443.db2.gz ZPLDISBDIUVDAX-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN NC(=O)NCC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001207259172 780117655 /nfs/dbraw/zinc/11/76/55/780117655.db2.gz YLYSLCRSUHTJTF-JTQLQIEISA-N 0 3 297.359 -1.532 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC001207392464 780117751 /nfs/dbraw/zinc/11/77/51/780117751.db2.gz HHJPQCXMOFYULT-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CN(C)C(C)=O)C1 ZINC001207430607 780117771 /nfs/dbraw/zinc/11/77/71/780117771.db2.gz MLXMVXULOYRKEJ-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001207383609 780117879 /nfs/dbraw/zinc/11/78/79/780117879.db2.gz AZOBMAXYDKRKDN-RKDXNWHRSA-N 0 3 258.322 -1.656 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001207541335 780118309 /nfs/dbraw/zinc/11/83/09/780118309.db2.gz CSPGZRSNQFEGOX-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)COCCOC)C1 ZINC001207694804 780118379 /nfs/dbraw/zinc/11/83/79/780118379.db2.gz XYRONSNBNMECBJ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CNC(=O)OC)C1 ZINC001207541950 780118389 /nfs/dbraw/zinc/11/83/89/780118389.db2.gz SJPABLKLZDSXHN-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C(C)(C)C(N)=O ZINC001207643773 780118447 /nfs/dbraw/zinc/11/84/47/780118447.db2.gz LWUUOKIVJVOODE-RKDXNWHRSA-N 0 3 257.334 -1.073 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC001207462910 780118457 /nfs/dbraw/zinc/11/84/57/780118457.db2.gz KXKNKJYPVIPLRP-SECBINFHSA-N 0 3 294.315 -1.201 20 0 CAADHN COCCOCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207714852 780118550 /nfs/dbraw/zinc/11/85/50/780118550.db2.gz YIKQNRAEINISPT-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)CC(N)=O)C1)C(=O)N(C)C ZINC001207724608 780118610 /nfs/dbraw/zinc/11/86/10/780118610.db2.gz AZBJFWVFIWLPQC-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CCNC(=O)CCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207663652 780118635 /nfs/dbraw/zinc/11/86/35/780118635.db2.gz GVPSGROYUUWEBQ-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001207541336 780118877 /nfs/dbraw/zinc/11/88/77/780118877.db2.gz CSPGZRSNQFEGOX-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN COCCOCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207714853 780118948 /nfs/dbraw/zinc/11/89/48/780118948.db2.gz YIKQNRAEINISPT-SNVBAGLBSA-N 0 3 273.333 -1.285 20 0 CAADHN CO[C@H](C)C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001207546106 780119011 /nfs/dbraw/zinc/11/90/11/780119011.db2.gz MAVHLFGALPMDQU-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CCCC(=O)NCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207570074 780119142 /nfs/dbraw/zinc/11/91/42/780119142.db2.gz NEXHXHBNILNNAR-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207541691 780119168 /nfs/dbraw/zinc/11/91/68/780119168.db2.gz MZSVCYZWSSZGMZ-QMMMGPOBSA-N 0 3 272.305 -1.592 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)CNC(=O)C2CC2)C1)C(N)=O ZINC001207514710 780119217 /nfs/dbraw/zinc/11/92/17/780119217.db2.gz KGWJTTRQNVOYAU-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN CO[C@@H](C)C(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001207546104 780119247 /nfs/dbraw/zinc/11/92/47/780119247.db2.gz MAVHLFGALPMDQU-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CCNC(=O)CCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207663653 780119367 /nfs/dbraw/zinc/11/93/67/780119367.db2.gz GVPSGROYUUWEBQ-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001207689103 780119448 /nfs/dbraw/zinc/11/94/48/780119448.db2.gz VJIUJHRIDJBGBO-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001207689101 780119547 /nfs/dbraw/zinc/11/95/47/780119547.db2.gz VJIUJHRIDJBGBO-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)COCCOC)C1 ZINC001207694808 780119592 /nfs/dbraw/zinc/11/95/92/780119592.db2.gz XYRONSNBNMECBJ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001207734833 780119935 /nfs/dbraw/zinc/11/99/35/780119935.db2.gz OYLCKLODJQWRPE-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@H](NCC(=O)NC)C1 ZINC001207871744 780120124 /nfs/dbraw/zinc/12/01/24/780120124.db2.gz AQLJAVMNRRUWKB-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001207828312 780120178 /nfs/dbraw/zinc/12/01/78/780120178.db2.gz ARMGMWCKCOJEJW-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207726382 780120300 /nfs/dbraw/zinc/12/03/00/780120300.db2.gz YFWAVEDGUVDBJR-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725394 780120329 /nfs/dbraw/zinc/12/03/29/780120329.db2.gz OEJNZIZQHSZJCC-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001207860160 780120359 /nfs/dbraw/zinc/12/03/59/780120359.db2.gz IBOZAPYFLIBDRU-VIFPVBQESA-N 0 3 296.331 -1.690 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001207734835 780120433 /nfs/dbraw/zinc/12/04/33/780120433.db2.gz OYLCKLODJQWRPE-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207724884 780120474 /nfs/dbraw/zinc/12/04/74/780120474.db2.gz FIHICBDCBXEGJW-JTQLQIEISA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725249 780120646 /nfs/dbraw/zinc/12/06/46/780120646.db2.gz LDXIUVWPGGQFSY-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)c2cnn(C)c2N)C1 ZINC001207869218 780120684 /nfs/dbraw/zinc/12/06/84/780120684.db2.gz DNKUDAUBSUEWGP-SECBINFHSA-N 0 3 294.359 -1.058 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207724885 780120785 /nfs/dbraw/zinc/12/07/85/780120785.db2.gz FIHICBDCBXEGJW-SNVBAGLBSA-N 0 3 284.360 -1.033 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)c1cn[nH]c1)C1CC1 ZINC001276544016 780120867 /nfs/dbraw/zinc/12/08/67/780120867.db2.gz KYLYPVDEOZNHNV-SECBINFHSA-N 0 3 251.290 -1.007 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)CC(N)=O)C1)C(=O)NC(N)=O ZINC001207726522 780120907 /nfs/dbraw/zinc/12/09/07/780120907.db2.gz ZTCZQOOOWJMFOD-HTQZYQBOSA-N 0 3 299.331 -1.974 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001207909871 780121633 /nfs/dbraw/zinc/12/16/33/780121633.db2.gz YRRHNJKWSFSPFX-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001207957567 780121639 /nfs/dbraw/zinc/12/16/39/780121639.db2.gz HVVVCNOPVNCFQV-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001207957315 780121647 /nfs/dbraw/zinc/12/16/47/780121647.db2.gz GGVUBFUHVZKHJF-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CC(=O)NC)C1 ZINC001207889813 780121681 /nfs/dbraw/zinc/12/16/81/780121681.db2.gz POQDPJQBFQBTEE-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)CCCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207878236 780121690 /nfs/dbraw/zinc/12/16/90/780121690.db2.gz RRVGFUDVLLTLDS-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001207902171 780121700 /nfs/dbraw/zinc/12/17/00/780121700.db2.gz KCHCJTVDMHASRZ-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001207874764 780121718 /nfs/dbraw/zinc/12/17/18/780121718.db2.gz CJTUIARYDCZHRS-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001207875008 780121757 /nfs/dbraw/zinc/12/17/57/780121757.db2.gz GIWIGXWLRIZYCN-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001207875009 780121773 /nfs/dbraw/zinc/12/17/73/780121773.db2.gz GIWIGXWLRIZYCN-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001207957566 780121781 /nfs/dbraw/zinc/12/17/81/780121781.db2.gz HVVVCNOPVNCFQV-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@H](N[C@H](C)C(N)=O)C1 ZINC001207874767 780121819 /nfs/dbraw/zinc/12/18/19/780121819.db2.gz CJTUIARYDCZHRS-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207875036 780121887 /nfs/dbraw/zinc/12/18/87/780121887.db2.gz HGESYGUGAJIUQO-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207888796 780121919 /nfs/dbraw/zinc/12/19/19/780121919.db2.gz BECMICFOAQVKGQ-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001207889675 780122191 /nfs/dbraw/zinc/12/21/91/780122191.db2.gz ORNXKXQCPKKJAB-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001207957314 780122207 /nfs/dbraw/zinc/12/22/07/780122207.db2.gz GGVUBFUHVZKHJF-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001207902343 780122221 /nfs/dbraw/zinc/12/22/21/780122221.db2.gz LJCKOLFSYFHHBT-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@@H](NCC(=O)NC)C1 ZINC001207871745 780122268 /nfs/dbraw/zinc/12/22/68/780122268.db2.gz AQLJAVMNRRUWKB-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001207888951 780122385 /nfs/dbraw/zinc/12/23/85/780122385.db2.gz DBDNUNGNZSOMBN-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC)C1 ZINC001207902750 780122411 /nfs/dbraw/zinc/12/24/11/780122411.db2.gz TXOSKSNIYFEBIK-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001207902345 780122536 /nfs/dbraw/zinc/12/25/36/780122536.db2.gz LJCKOLFSYFHHBT-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207909624 780122645 /nfs/dbraw/zinc/12/26/45/780122645.db2.gz VKAHIXCYMFPVBD-YUMQZZPRSA-N 0 3 271.321 -1.891 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC001207897406 780122678 /nfs/dbraw/zinc/12/26/78/780122678.db2.gz ALMZDJFJECBIKX-VIFPVBQESA-N 0 3 296.327 -1.082 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001207890216 780122724 /nfs/dbraw/zinc/12/27/24/780122724.db2.gz XFVGINNDAWDIMA-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001208042716 780123028 /nfs/dbraw/zinc/12/30/28/780123028.db2.gz XGCDFRKNQLXROH-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(CCO)CC1(C)C ZINC001276554933 780123105 /nfs/dbraw/zinc/12/31/05/780123105.db2.gz HUIFSQMCXMPWHT-SNVBAGLBSA-N 0 3 257.334 -1.059 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001207958519 780123350 /nfs/dbraw/zinc/12/33/50/780123350.db2.gz PJRCDVJWTYFPMG-IUCAKERBSA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@@H](CC(=O)N1CCC[C@@H](NCC(N)=O)C1)NC(N)=O ZINC001208041630 780123435 /nfs/dbraw/zinc/12/34/35/780123435.db2.gz LGNIHBKEBIKSNE-DTWKUNHWSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)NCCC(=O)N1CCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001207989586 780123565 /nfs/dbraw/zinc/12/35/65/780123565.db2.gz RBSPMRWTNFLNAX-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)NCCC(=O)N1CCC[C@H](N[C@H](C)C(N)=O)C1 ZINC001207989588 780123582 /nfs/dbraw/zinc/12/35/82/780123582.db2.gz RBSPMRWTNFLNAX-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)c2ncn(C)n2)C1 ZINC001207974279 780123643 /nfs/dbraw/zinc/12/36/43/780123643.db2.gz FBYRJFRAEGMAJH-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 ZINC001207974278 780123876 /nfs/dbraw/zinc/12/38/76/780123876.db2.gz FBYRJFRAEGMAJH-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CC(=O)NCC(=O)N[C@H]1CN(CCO)CC1(C)C ZINC001276554932 780123970 /nfs/dbraw/zinc/12/39/70/780123970.db2.gz HUIFSQMCXMPWHT-JTQLQIEISA-N 0 3 257.334 -1.059 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001208002333 780124201 /nfs/dbraw/zinc/12/42/01/780124201.db2.gz RXVNNIKDWKNAJZ-JTQLQIEISA-N 0 3 294.359 -1.018 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001208279272 780124952 /nfs/dbraw/zinc/12/49/52/780124952.db2.gz MDAVARLQCNIDEO-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001208278829 780125177 /nfs/dbraw/zinc/12/51/77/780125177.db2.gz BQBVMVGJVNLCFL-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001208278830 780125306 /nfs/dbraw/zinc/12/53/06/780125306.db2.gz BQBVMVGJVNLCFL-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC001208231274 780125331 /nfs/dbraw/zinc/12/53/31/780125331.db2.gz WMBPGIDTPUULCO-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001208265620 780125534 /nfs/dbraw/zinc/12/55/34/780125534.db2.gz WSDXZUHZPFLXQL-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001208325121 780126047 /nfs/dbraw/zinc/12/60/47/780126047.db2.gz HTZYOBDVSGJHDB-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CS(=O)(=O)CCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001208432748 780126543 /nfs/dbraw/zinc/12/65/43/780126543.db2.gz JRBFBKKMLFPDSB-VIFPVBQESA-N 0 3 291.373 -1.513 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001208374383 780126825 /nfs/dbraw/zinc/12/68/25/780126825.db2.gz XUQJIMYIKINEKQ-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001208374382 780126930 /nfs/dbraw/zinc/12/69/30/780126930.db2.gz XUQJIMYIKINEKQ-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001208687345 780128627 /nfs/dbraw/zinc/12/86/27/780128627.db2.gz KYLAOBYTGPQORL-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CC1(C)CN(CCOCCO)C[C@@H]1NC(=O)CC(N)=O ZINC001276570659 780129153 /nfs/dbraw/zinc/12/91/53/780129153.db2.gz OXNSQQSRKCIIIP-JTQLQIEISA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001208943161 780129779 /nfs/dbraw/zinc/12/97/79/780129779.db2.gz OIWLZCVZGQIHBK-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001208975331 780129844 /nfs/dbraw/zinc/12/98/44/780129844.db2.gz BSISRVQEVMMDLX-IUCAKERBSA-N 0 3 270.333 -1.436 20 0 CAADHN CN(CCNC(=O)Nc1nnn(C)n1)CCOCCO ZINC001208731799 780129875 /nfs/dbraw/zinc/12/98/75/780129875.db2.gz KYIKBZVTTACCJT-UHFFFAOYSA-N 0 3 287.324 -1.728 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001208959527 780130305 /nfs/dbraw/zinc/13/03/05/780130305.db2.gz CUFGKHLQJWVWOR-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001208943162 780130771 /nfs/dbraw/zinc/13/07/71/780130771.db2.gz OIWLZCVZGQIHBK-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001208978068 780131193 /nfs/dbraw/zinc/13/11/93/780131193.db2.gz MGLNOWZSIPISFN-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001208975333 780131242 /nfs/dbraw/zinc/13/12/42/780131242.db2.gz BSISRVQEVMMDLX-RKDXNWHRSA-N 0 3 270.333 -1.436 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209039554 780131280 /nfs/dbraw/zinc/13/12/80/780131280.db2.gz KAGWNHZCAWBJJR-RKDXNWHRSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001208978069 780131380 /nfs/dbraw/zinc/13/13/80/780131380.db2.gz MGLNOWZSIPISFN-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CC(=O)N(C)C ZINC001209274950 780131812 /nfs/dbraw/zinc/13/18/12/780131812.db2.gz LREYRPFZLLCNDC-NXEZZACHSA-N 0 3 257.334 -1.107 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209039227 780131766 /nfs/dbraw/zinc/13/17/66/780131766.db2.gz HRWQYJYPXOGXNO-VIFPVBQESA-N 0 3 295.347 -1.460 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209039543 780131847 /nfs/dbraw/zinc/13/18/47/780131847.db2.gz KAGWNHZCAWBJJR-BDAKNGLRSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001209313174 780132735 /nfs/dbraw/zinc/13/27/35/780132735.db2.gz CXMMLIAYQYZBOB-RKDXNWHRSA-N 0 3 283.332 -2.006 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001209312980 780132800 /nfs/dbraw/zinc/13/28/00/780132800.db2.gz CAEKLACPAAAGNE-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001209346166 780132864 /nfs/dbraw/zinc/13/28/64/780132864.db2.gz ROUXJUWXRJMVHR-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)C(N)=O)C1)C(=O)N(C)C ZINC001209357592 780133097 /nfs/dbraw/zinc/13/30/97/780133097.db2.gz VDROIKADJLXENC-BDAKNGLRSA-N 0 3 270.333 -1.471 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001209313344 780133115 /nfs/dbraw/zinc/13/31/15/780133115.db2.gz DLMZJDCXEPYDLE-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001209345850 780133146 /nfs/dbraw/zinc/13/31/46/780133146.db2.gz OBRZMHYFIIRMDX-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001209344798 780133279 /nfs/dbraw/zinc/13/32/79/780133279.db2.gz HHMSYBAOBOXVSB-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001209312979 780133391 /nfs/dbraw/zinc/13/33/91/780133391.db2.gz CAEKLACPAAAGNE-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001209313341 780133425 /nfs/dbraw/zinc/13/34/25/780133425.db2.gz DLMZJDCXEPYDLE-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001209345853 780133482 /nfs/dbraw/zinc/13/34/82/780133482.db2.gz OBRZMHYFIIRMDX-VIFPVBQESA-N 0 3 282.344 -1.422 20 0 CAADHN CN(C(=O)CN[C@H]1CCCN(C(=O)C(N)=O)C1)C1CC1 ZINC001209367075 780134039 /nfs/dbraw/zinc/13/40/39/780134039.db2.gz YEEMCRUBMOFPQY-VIFPVBQESA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)C(N)=O)C1)C(=O)NC1CC1 ZINC001209366985 780134310 /nfs/dbraw/zinc/13/43/10/780134310.db2.gz WTARNIZYTQYDKR-PSASIEDQSA-N 0 3 282.344 -1.281 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209366993 780134635 /nfs/dbraw/zinc/13/46/35/780134635.db2.gz WWSMLVVDKKKJDU-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)C(N)=O)C1)C(=O)NC1CC1 ZINC001209366987 780134765 /nfs/dbraw/zinc/13/47/65/780134765.db2.gz WTARNIZYTQYDKR-SCZZXKLOSA-N 0 3 282.344 -1.281 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209388102 780134811 /nfs/dbraw/zinc/13/48/11/780134811.db2.gz SHSDWYVHSHOHRS-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001209650099 780135401 /nfs/dbraw/zinc/13/54/01/780135401.db2.gz CIXHFVNRWUIXPK-MXWKQRLJSA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](NC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001276648366 780135720 /nfs/dbraw/zinc/13/57/20/780135720.db2.gz LMBODNLGOISYPS-WPRPVWTQSA-N 0 3 296.371 -1.129 20 0 CAADHN COC[C@H](OC)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001209544969 780135958 /nfs/dbraw/zinc/13/59/58/780135958.db2.gz YKPDNAYXILJWKV-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)C(N)=O)C1CC1)C(=O)N(C)C ZINC001276648164 780136163 /nfs/dbraw/zinc/13/61/63/780136163.db2.gz HRFJGBIKSQXFSZ-VXNVDRBHSA-N 0 3 270.333 -1.567 20 0 CAADHN C[C@@H](NC(=O)CNC[C@H](NC(=O)C(N)=O)C1CC1)C1CC1 ZINC001276648416 780136195 /nfs/dbraw/zinc/13/61/95/780136195.db2.gz MPHOEYBZHMSWLW-KCJUWKMLSA-N 0 3 296.371 -1.129 20 0 CAADHN COC[C@H](OC)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001209544967 780136214 /nfs/dbraw/zinc/13/62/14/780136214.db2.gz YKPDNAYXILJWKV-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001209650973 780136283 /nfs/dbraw/zinc/13/62/83/780136283.db2.gz MNQKEJLWUATMRF-AEJSXWLSSA-N 0 3 282.344 -1.566 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H](NC(=O)C(N)=O)C1CC1 ZINC001276648327 780136428 /nfs/dbraw/zinc/13/64/28/780136428.db2.gz KRSXTYPEAGVQIB-JTQLQIEISA-N 0 3 284.360 -1.177 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001209652025 780136499 /nfs/dbraw/zinc/13/64/99/780136499.db2.gz WUGWWQJMSSDXEY-AXFHLTTASA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1 ZINC001210125272 780137359 /nfs/dbraw/zinc/13/73/59/780137359.db2.gz NDXWCJLMOQHZQK-VIFPVBQESA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001210172609 780137523 /nfs/dbraw/zinc/13/75/23/780137523.db2.gz JNZTVLPPAZZISI-GHMZBOCLSA-N 0 3 297.359 -1.207 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)COCc1ncnn1C ZINC001209928464 780137819 /nfs/dbraw/zinc/13/78/19/780137819.db2.gz IEPKRDUNMFKBGC-GHMZBOCLSA-N 0 3 297.359 -1.240 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1)C(N)=O ZINC001210029470 780137835 /nfs/dbraw/zinc/13/78/35/780137835.db2.gz OSKSTADNZYNCEU-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)C[NH2+][C@H]1CCCN(C(=O)c2nc[n-]n2)C1 ZINC001210198768 780137867 /nfs/dbraw/zinc/13/78/67/780137867.db2.gz RVAWIPGPHKVXNF-QMMMGPOBSA-N 0 3 266.305 -1.255 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2nc[n-]n2)C1 ZINC001210198767 780137931 /nfs/dbraw/zinc/13/79/31/780137931.db2.gz RVAWIPGPHKVXNF-MRVPVSSYSA-N 0 3 266.305 -1.255 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@H](N[C@H](C)C(N)=O)C2)CC1 ZINC001210106768 780137973 /nfs/dbraw/zinc/13/79/73/780137973.db2.gz JRQCJVJWIRRFFG-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001210079901 780138152 /nfs/dbraw/zinc/13/81/52/780138152.db2.gz JLZACQXLTUXELX-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)C(=O)CC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001210027806 780138238 /nfs/dbraw/zinc/13/82/38/780138238.db2.gz BXKNPOMNSVHSRZ-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@H](N[C@@H](C)C(N)=O)C2)CC1 ZINC001210106765 780138248 /nfs/dbraw/zinc/13/82/48/780138248.db2.gz JRQCJVJWIRRFFG-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001210079900 780138289 /nfs/dbraw/zinc/13/82/89/780138289.db2.gz JLZACQXLTUXELX-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001210750868 780138924 /nfs/dbraw/zinc/13/89/24/780138924.db2.gz NBKIXNYKDCKUIK-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CC(=O)NCC2CC2)C1 ZINC001210575424 780138958 /nfs/dbraw/zinc/13/89/58/780138958.db2.gz GWTSDCXXRMGKTD-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)Cn1cncn1 ZINC001210843118 780139007 /nfs/dbraw/zinc/13/90/07/780139007.db2.gz OAZVHTAOPAMKBC-VXGBXAGGSA-N 0 3 297.359 -1.277 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)C(=O)NCC2CC2)C1)C(N)=O ZINC001210388319 780139150 /nfs/dbraw/zinc/13/91/50/780139150.db2.gz LBBUPDBWADGVOB-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001210853158 780139327 /nfs/dbraw/zinc/13/93/27/780139327.db2.gz YUXBJAIEYOZVAY-NXEZZACHSA-N 0 3 299.375 -1.111 20 0 CAADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC001210842859 780139752 /nfs/dbraw/zinc/13/97/52/780139752.db2.gz AOBDKVIQFCEWLK-IJLUTSLNSA-N 0 3 297.359 -1.278 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001210750296 780139793 /nfs/dbraw/zinc/13/97/93/780139793.db2.gz BDIWBJSKOSOMJY-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001210976703 780140672 /nfs/dbraw/zinc/14/06/72/780140672.db2.gz ZTZARKYTUDBSOD-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211002621 780140716 /nfs/dbraw/zinc/14/07/16/780140716.db2.gz UXZGSXLEYZWPBW-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)CCNC(N)=O)C1)C(N)=O ZINC001211002971 780140779 /nfs/dbraw/zinc/14/07/79/780140779.db2.gz YEHDMLIBJWHCPQ-IUCAKERBSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001210974449 780140982 /nfs/dbraw/zinc/14/09/82/780140982.db2.gz DAYSFPVOKZIHNM-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001210974447 780141179 /nfs/dbraw/zinc/14/11/79/780141179.db2.gz DAYSFPVOKZIHNM-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211002338 780141197 /nfs/dbraw/zinc/14/11/97/780141197.db2.gz RMAFTFVCWCEMOH-QMMMGPOBSA-N 0 3 271.321 -1.889 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001210975743 780141294 /nfs/dbraw/zinc/14/12/94/780141294.db2.gz POQKDLXEDZEART-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)CCNC(N)=O)C1)C(N)=O ZINC001211002967 780141346 /nfs/dbraw/zinc/14/13/46/780141346.db2.gz YEHDMLIBJWHCPQ-BDAKNGLRSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211009291 780141366 /nfs/dbraw/zinc/14/13/66/780141366.db2.gz XICVKOFEYWVDNF-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211009288 780141721 /nfs/dbraw/zinc/14/17/21/780141721.db2.gz XICVKOFEYWVDNF-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001210995686 780141737 /nfs/dbraw/zinc/14/17/37/780141737.db2.gz UFGFPSRIMHIPEU-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H]1CN(CCCO)C[C@H]1C ZINC001211088537 780142813 /nfs/dbraw/zinc/14/28/13/780142813.db2.gz BVIOIWZZBYVJLB-NXEZZACHSA-N 0 3 293.389 -1.646 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001211125033 780142964 /nfs/dbraw/zinc/14/29/64/780142964.db2.gz AZDKKIYZDCWVKA-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1OC)N(C)C ZINC001213458388 780143763 /nfs/dbraw/zinc/14/37/63/780143763.db2.gz WATVOIXAYLXTKX-OUAUKWLOSA-N 0 3 286.376 -1.373 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@H](OC)C1 ZINC001213442378 780144480 /nfs/dbraw/zinc/14/44/80/780144480.db2.gz OSDUGUGOQUWRRI-WRWGMCAJSA-N 0 3 299.371 -1.040 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1OC ZINC001213767506 780146647 /nfs/dbraw/zinc/14/66/47/780146647.db2.gz WWJWONKTHTZEKD-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001213593356 780146786 /nfs/dbraw/zinc/14/67/86/780146786.db2.gz VQKDCTVTGNCGEO-NXEZZACHSA-N 0 3 299.331 -1.757 20 0 CAADHN CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001213593356 780146792 /nfs/dbraw/zinc/14/67/92/780146792.db2.gz VQKDCTVTGNCGEO-NXEZZACHSA-N 0 3 299.331 -1.757 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1OC ZINC001213597223 780146995 /nfs/dbraw/zinc/14/69/95/780146995.db2.gz ZCCZQRQFFLXAKC-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001214061113 780147887 /nfs/dbraw/zinc/14/78/87/780147887.db2.gz OADICPGIJCOEEA-WCABBAIRSA-N 0 3 284.360 -1.307 20 0 CAADHN CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)CN(C)C(C)C ZINC001213929883 780147673 /nfs/dbraw/zinc/14/76/73/780147673.db2.gz PREDUNHSDGBXAG-GHMZBOCLSA-N 0 3 286.376 -1.373 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001214059329 780147900 /nfs/dbraw/zinc/14/79/00/780147900.db2.gz WKOMVCDTGVZEOJ-ZYHUDNBSSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214059446 780148221 /nfs/dbraw/zinc/14/82/21/780148221.db2.gz ZSKAYPCFSCNQAX-VXNVDRBHSA-N 0 3 256.306 -1.956 20 0 CAADHN COCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001214011510 780148317 /nfs/dbraw/zinc/14/83/17/780148317.db2.gz DAIOXOSHRFSLEE-HRDYMLBCSA-N 0 3 286.332 -1.347 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001276707234 780148542 /nfs/dbraw/zinc/14/85/42/780148542.db2.gz CVEMQDUDEUCFNZ-MAUMQABQSA-N 0 3 268.317 -1.970 20 0 CAADHN CCCNC(=O)CN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214116469 780149394 /nfs/dbraw/zinc/14/93/94/780149394.db2.gz UYDDBMNDZKTMBK-NXEZZACHSA-N 0 3 299.375 -1.383 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1C ZINC001214147792 780149421 /nfs/dbraw/zinc/14/94/21/780149421.db2.gz AMACXMQBUOBOPS-GHMZBOCLSA-N 0 3 294.359 -1.149 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NCC(=O)N(C)C ZINC001214104796 780149491 /nfs/dbraw/zinc/14/94/91/780149491.db2.gz NYINGZKTCQQDRE-NXEZZACHSA-N 0 3 295.347 -1.802 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214116282 780149510 /nfs/dbraw/zinc/14/95/10/780149510.db2.gz LMOWLRWQUYTFEB-HRDYMLBCSA-N 0 3 285.348 -1.774 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C ZINC001214168003 780149547 /nfs/dbraw/zinc/14/95/47/780149547.db2.gz WWHOOSWQJNNWPI-UTUOFQBUSA-N 0 3 299.371 -1.026 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001214105019 780149678 /nfs/dbraw/zinc/14/96/78/780149678.db2.gz VZTXGJGTLNGFMV-RKDXNWHRSA-N 0 3 281.320 -2.144 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214120579 780149789 /nfs/dbraw/zinc/14/97/89/780149789.db2.gz KFBDTWMSKZWWRV-RKDXNWHRSA-N 0 3 285.348 -1.773 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001214181304 780149841 /nfs/dbraw/zinc/14/98/41/780149841.db2.gz MZWFIZSPBURMNP-ADEWGFFLSA-N 0 3 296.371 -1.210 20 0 CAADHN Cc1nc(CN[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C)n[nH]1 ZINC001214122561 780149866 /nfs/dbraw/zinc/14/98/66/780149866.db2.gz VWPDGLYSRDCQBE-VXNVDRBHSA-N 0 3 295.347 -1.282 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1NCC(=O)N(C)C ZINC001214167773 780149900 /nfs/dbraw/zinc/14/99/00/780149900.db2.gz QTCSHFQIQKVBRR-IJLUTSLNSA-N 0 3 299.371 -1.074 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001214104468 780149912 /nfs/dbraw/zinc/14/99/12/780149912.db2.gz ACLIIZQAUYNTFX-KXUCPTDWSA-N 0 3 295.347 -1.756 20 0 CAADHN CCOCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214087289 780149974 /nfs/dbraw/zinc/14/99/74/780149974.db2.gz PQXFTEBGWFMESI-RKDXNWHRSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1N[C@H]1CCNC1=O ZINC001214120843 780149985 /nfs/dbraw/zinc/14/99/85/780149985.db2.gz XPTJAHVTVPCOAZ-HRDYMLBCSA-N 0 3 283.332 -2.020 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1C ZINC001214168002 780150028 /nfs/dbraw/zinc/15/00/28/780150028.db2.gz WWHOOSWQJNNWPI-IJLUTSLNSA-N 0 3 299.371 -1.026 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C)C(N)=O ZINC001214118745 780150076 /nfs/dbraw/zinc/15/00/76/780150076.db2.gz WYKCLLQVZXFLQY-GJMOJQLCSA-N 0 3 271.321 -2.035 20 0 CAADHN CSCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214094358 780150157 /nfs/dbraw/zinc/15/01/57/780150157.db2.gz GCKIXLCDROJOBB-HTQZYQBOSA-N 0 3 288.373 -1.019 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001214373687 780150839 /nfs/dbraw/zinc/15/08/39/780150839.db2.gz XIIGRJGPVWOHGF-BWZBUEFSSA-N 0 3 299.331 -2.118 20 0 CAADHN COCCOCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C1 ZINC001214353218 780150939 /nfs/dbraw/zinc/15/09/39/780150939.db2.gz IGEXPWFYVCQDIS-OUAUKWLOSA-N 0 3 287.360 -1.040 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC)C1 ZINC001214338683 780151101 /nfs/dbraw/zinc/15/11/01/780151101.db2.gz XHZGCYGMONKPJR-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001214349953 780150964 /nfs/dbraw/zinc/15/09/64/780150964.db2.gz XSDJLFUYAGYNEV-OUAUKWLOSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1NCC(=O)NC(N)=O ZINC001214191628 780150981 /nfs/dbraw/zinc/15/09/81/780150981.db2.gz SFVRKXSZEGRCFB-VXNVDRBHSA-N 0 3 294.315 -1.345 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)N(C)C ZINC001214370082 780151044 /nfs/dbraw/zinc/15/10/44/780151044.db2.gz JRCVANWCQGREAU-RKDXNWHRSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001214372856 780151090 /nfs/dbraw/zinc/15/10/90/780151090.db2.gz DRVSTBJMASNQAT-MWLCHTKSSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C)C(=O)NC(N)=O ZINC001214373688 780151300 /nfs/dbraw/zinc/15/13/00/780151300.db2.gz XIIGRJGPVWOHGF-GJMOJQLCSA-N 0 3 299.331 -2.118 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214349529 780151354 /nfs/dbraw/zinc/15/13/54/780151354.db2.gz DBWXOKJXQKGEIY-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN COCCOCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214353784 780151393 /nfs/dbraw/zinc/15/13/93/780151393.db2.gz VSGPLDQLCLARRI-NXEZZACHSA-N 0 3 273.333 -1.429 20 0 CAADHN COC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C1 ZINC001214235972 780151499 /nfs/dbraw/zinc/15/14/99/780151499.db2.gz XQEQIQJQKQOFMN-HRDYMLBCSA-N 0 3 286.332 -1.347 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C)C(=O)N(C)C ZINC001214370125 780151659 /nfs/dbraw/zinc/15/16/59/780151659.db2.gz LTSVIAIKDILZSK-KXUCPTDWSA-N 0 3 284.360 -1.225 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COCCN2C)C[C@H]1C ZINC001214454504 780151687 /nfs/dbraw/zinc/15/16/87/780151687.db2.gz QSXRFUBYRTYXAU-IJLUTSLNSA-N 0 3 298.387 -1.501 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C ZINC001214227044 780151867 /nfs/dbraw/zinc/15/18/67/780151867.db2.gz LGULRGOZLBJNJN-RKDXNWHRSA-N 0 3 286.332 -1.475 20 0 CAADHN C[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1NCC(N)=O ZINC001214216480 780151780 /nfs/dbraw/zinc/15/17/80/780151780.db2.gz CMEXXHPERDHWKG-PSASIEDQSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)C[C@H]1C ZINC001214386833 780151799 /nfs/dbraw/zinc/15/17/99/780151799.db2.gz NPFPSQKRISDBKO-IJLUTSLNSA-N 0 3 298.387 -1.501 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214369971 780151841 /nfs/dbraw/zinc/15/18/41/780151841.db2.gz DUZVGSSCXIJNEA-HTQZYQBOSA-N 0 3 299.331 -2.246 20 0 CAADHN COC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001214226886 780151852 /nfs/dbraw/zinc/15/18/52/780151852.db2.gz CLVLFTVJLSHAEE-KXUCPTDWSA-N 0 3 298.343 -1.333 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C ZINC001214514226 780152243 /nfs/dbraw/zinc/15/22/43/780152243.db2.gz TWFMHBYUZWVWST-RKDXNWHRSA-N 0 3 296.327 -1.226 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214543897 780152282 /nfs/dbraw/zinc/15/22/82/780152282.db2.gz SHFANJHAIWXRJN-OPRDCNLKSA-N 0 3 294.359 -1.000 20 0 CAADHN C[C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1NCC(=O)NC(N)=O ZINC001214568915 780152297 /nfs/dbraw/zinc/15/22/97/780152297.db2.gz HYYSKTTUHXUGCU-HTQZYQBOSA-N 0 3 294.315 -1.345 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001214504141 780152677 /nfs/dbraw/zinc/15/26/77/780152677.db2.gz OWYZZOGBSQITSX-KXUCPTDWSA-N 0 3 284.360 -1.307 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1NCC(=O)N(C)C ZINC001214542430 780152740 /nfs/dbraw/zinc/15/27/40/780152740.db2.gz WQLVPPPYSPNGAA-OPRDCNLKSA-N 0 3 298.343 -1.381 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC(=O)N(C)C ZINC001214543497 780152852 /nfs/dbraw/zinc/15/28/52/780152852.db2.gz ARNBUWLAQCAREL-NXEZZACHSA-N 0 3 294.359 -1.047 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C ZINC001214502363 780152906 /nfs/dbraw/zinc/15/29/06/780152906.db2.gz ZDUXURDJLABDON-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001214557827 780152941 /nfs/dbraw/zinc/15/29/41/780152941.db2.gz LCXYKJSICJBJLB-KXUCPTDWSA-N 0 3 294.359 -1.000 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CCNC(=O)NC)C[C@H]1C ZINC001214562522 780152998 /nfs/dbraw/zinc/15/29/98/780152998.db2.gz SPYRRJCIQHIGPN-NXEZZACHSA-N 0 3 299.375 -1.512 20 0 CAADHN CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC)C1 ZINC001214479645 780153134 /nfs/dbraw/zinc/15/31/34/780153134.db2.gz CZFZCLWUZXLABJ-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCC(=O)N(C)C ZINC001214552941 780153146 /nfs/dbraw/zinc/15/31/46/780153146.db2.gz DKINGYNODMGIHH-NXEZZACHSA-N 0 3 294.359 -1.047 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CC(=O)NC)C[C@H]1C ZINC001214499289 780153182 /nfs/dbraw/zinc/15/31/82/780153182.db2.gz ABIWEURVPLQJCX-RKDXNWHRSA-N 0 3 270.333 -1.695 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2COCCN2C)C[C@H]1C ZINC001214454505 780153202 /nfs/dbraw/zinc/15/32/02/780153202.db2.gz QSXRFUBYRTYXAU-UTUOFQBUSA-N 0 3 298.387 -1.501 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001214499656 780153220 /nfs/dbraw/zinc/15/32/20/780153220.db2.gz RTOCZMSUWIFTJG-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C ZINC001214541806 780153250 /nfs/dbraw/zinc/15/32/50/780153250.db2.gz JTJOTXFPWDKOSC-HLTSFMKQSA-N 0 3 284.316 -1.723 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001214501849 780153300 /nfs/dbraw/zinc/15/33/00/780153300.db2.gz NOWZHTUCZSHNBO-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC)C1 ZINC001214504142 780153352 /nfs/dbraw/zinc/15/33/52/780153352.db2.gz OWYZZOGBSQITSX-OPRDCNLKSA-N 0 3 284.360 -1.307 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214508642 780153362 /nfs/dbraw/zinc/15/33/62/780153362.db2.gz VYHBNNQIWOCPKP-KXUCPTDWSA-N 0 3 299.375 -1.432 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214721160 780153864 /nfs/dbraw/zinc/15/38/64/780153864.db2.gz NPGFKJOAVXHKJF-GHMZBOCLSA-N 0 3 294.359 -1.149 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214640943 780154215 /nfs/dbraw/zinc/15/42/15/780154215.db2.gz QMFCKGQNNMDUJG-OPRDCNLKSA-N 0 3 295.347 -1.756 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NCC(=O)N(C)C ZINC001214641175 780154260 /nfs/dbraw/zinc/15/42/60/780154260.db2.gz VTBZDTZIFPIIEJ-NXEZZACHSA-N 0 3 295.347 -1.802 20 0 CAADHN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)NC(N)=O ZINC001214624536 780154363 /nfs/dbraw/zinc/15/43/63/780154363.db2.gz WVBSMIWARBYMOQ-HRDYMLBCSA-N 0 3 285.348 -1.645 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001214784700 780154433 /nfs/dbraw/zinc/15/44/33/780154433.db2.gz QSBKHCGVQZSGCX-KXUCPTDWSA-N 0 3 297.359 -1.760 20 0 CAADHN C[C@@H]1CN(C(=O)CCCn2ccnn2)C[C@H]1NCC(N)=O ZINC001214836295 780154537 /nfs/dbraw/zinc/15/45/37/780154537.db2.gz YBHPRZORRFVDAL-GHMZBOCLSA-N 0 3 294.359 -1.020 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1NCC(=O)N(C)C ZINC001214720883 780154552 /nfs/dbraw/zinc/15/45/52/780154552.db2.gz BMQVWDUCBJZGMP-GHMZBOCLSA-N 0 3 294.359 -1.197 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214646312 780154560 /nfs/dbraw/zinc/15/45/60/780154560.db2.gz PGKXQAIOGHVIPK-NXEZZACHSA-N 0 3 295.347 -1.754 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C ZINC001214909500 780154562 /nfs/dbraw/zinc/15/45/62/780154562.db2.gz SFUJNBBAHGCXQN-PSASIEDQSA-N 0 3 293.327 -1.022 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1C ZINC001214921424 780154565 /nfs/dbraw/zinc/15/45/65/780154565.db2.gz FWFDGHBWLKNDQX-GMTAPVOTSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NCC(=O)N(C)C ZINC001215431654 780154979 /nfs/dbraw/zinc/15/49/79/780154979.db2.gz JEUAKVRCETYCKK-NXEZZACHSA-N 0 3 296.371 -1.223 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C ZINC001215316980 780155022 /nfs/dbraw/zinc/15/50/22/780155022.db2.gz QUCPUZDTEDKQBA-GMTAPVOTSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@@H]1CN(C(=O)CCCCNC(N)=O)C[C@H]1NCC(N)=O ZINC001215088515 780155147 /nfs/dbraw/zinc/15/51/47/780155147.db2.gz ZCOQUFQJEMIOIG-NXEZZACHSA-N 0 3 299.375 -1.253 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C[C@H]1C ZINC001215309050 780155176 /nfs/dbraw/zinc/15/51/76/780155176.db2.gz BXNDEEPPADUJDP-BBBLOLIVSA-N 0 3 297.359 -1.808 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215334150 780155405 /nfs/dbraw/zinc/15/54/05/780155405.db2.gz HUSAQCQMWLWXQJ-RKDXNWHRSA-N 0 3 295.347 -1.604 20 0 CAADHN C[C@@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1NCC(N)=O ZINC001214976000 780155442 /nfs/dbraw/zinc/15/54/42/780155442.db2.gz FNJBLBNEFYCIPJ-RKDXNWHRSA-N 0 3 291.373 -1.657 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)CC(N)=O)C[C@H]1C ZINC001215314491 780155487 /nfs/dbraw/zinc/15/54/87/780155487.db2.gz QCQZCMALTPBZSI-OPRDCNLKSA-N 0 3 284.360 -1.320 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C ZINC001215309009 780155574 /nfs/dbraw/zinc/15/55/74/780155574.db2.gz BLNPNURNBXWZIQ-KXUCPTDWSA-N 0 3 282.344 -1.695 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431542 780155499 /nfs/dbraw/zinc/15/54/99/780155499.db2.gz DESCGHWLGRVEKH-RKDXNWHRSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431603 780155537 /nfs/dbraw/zinc/15/55/37/780155537.db2.gz GUBYXERRWJDJLO-KXUCPTDWSA-N 0 3 296.371 -1.177 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1C ZINC001215309010 780155558 /nfs/dbraw/zinc/15/55/58/780155558.db2.gz BLNPNURNBXWZIQ-OPRDCNLKSA-N 0 3 282.344 -1.695 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001214928411 780155635 /nfs/dbraw/zinc/15/56/35/780155635.db2.gz ZXCGMRBZBGSSNT-PSASIEDQSA-N 0 3 293.327 -1.022 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1C ZINC001215879102 780156340 /nfs/dbraw/zinc/15/63/40/780156340.db2.gz SROCEIRBEYFJQI-OUAUKWLOSA-N 0 3 296.371 -1.162 20 0 CAADHN CCN(CC)C(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215438826 780156532 /nfs/dbraw/zinc/15/65/32/780156532.db2.gz GIWRKIUXVZGMJP-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C)C(N)=O ZINC001215830117 780156593 /nfs/dbraw/zinc/15/65/93/780156593.db2.gz WYVLRTAXLDRHJJ-KXUCPTDWSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1NCC(N)=O ZINC001215829852 780156608 /nfs/dbraw/zinc/15/66/08/780156608.db2.gz SCEJJQKGOXZFQJ-RKDXNWHRSA-N 0 3 270.333 -1.614 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215439229 780156620 /nfs/dbraw/zinc/15/66/20/780156620.db2.gz SAXRLWBZIKYDFG-HTQZYQBOSA-N 0 3 256.306 -1.956 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1C)C(N)=O ZINC001215830118 780156691 /nfs/dbraw/zinc/15/66/91/780156691.db2.gz WYVLRTAXLDRHJJ-OPRDCNLKSA-N 0 3 284.360 -1.225 20 0 CAADHN CC(C)N(C)C(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215438674 780156730 /nfs/dbraw/zinc/15/67/30/780156730.db2.gz CTCLQUTXJVCCER-NXEZZACHSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215438926 780156938 /nfs/dbraw/zinc/15/69/38/780156938.db2.gz JCDJBLLKZRHKEQ-PSASIEDQSA-N 0 3 282.344 -1.471 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001215617640 780156963 /nfs/dbraw/zinc/15/69/63/780156963.db2.gz WKNGALQMBXJKDO-DVVUODLYSA-N 0 3 284.360 -1.177 20 0 CAADHN CCCCNC(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215438681 780156978 /nfs/dbraw/zinc/15/69/78/780156978.db2.gz DBNZGINIWDMMSP-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215438891 780157055 /nfs/dbraw/zinc/15/70/55/780157055.db2.gz IGAJJPFKHXVJIZ-RNFRBKRXSA-N 0 3 285.304 -2.636 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215438909 780157189 /nfs/dbraw/zinc/15/71/89/780157189.db2.gz IORIPLDPNQFOKZ-OPRDCNLKSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NCC(=O)NC(N)=O ZINC001216012080 780157729 /nfs/dbraw/zinc/15/77/29/780157729.db2.gz HJUUJFIBONLUJW-HTRCEHHLSA-N 0 3 296.287 -1.685 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1NCC(=O)N(C)C ZINC001216455470 780157743 /nfs/dbraw/zinc/15/77/43/780157743.db2.gz BFDVUMQPWTZDHA-OUAUKWLOSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)CCC1 ZINC001216503692 780157829 /nfs/dbraw/zinc/15/78/29/780157829.db2.gz VNOCMDCWPQKNMQ-NXEZZACHSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1C ZINC001215911290 780158008 /nfs/dbraw/zinc/15/80/08/780158008.db2.gz HPPHQRWUZCBQBH-NXEZZACHSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1C ZINC001216455468 780158121 /nfs/dbraw/zinc/15/81/21/780158121.db2.gz BDWJXGAGJUVRTP-KXUCPTDWSA-N 0 3 282.344 -1.553 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001215952698 780158341 /nfs/dbraw/zinc/15/83/41/780158341.db2.gz DFBNWUAXIBXPOW-PSASIEDQSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1NCC(N)=O ZINC001216238607 780158480 /nfs/dbraw/zinc/15/84/80/780158480.db2.gz XNQJPMSQHGNKSD-GHMZBOCLSA-N 0 3 294.359 -1.020 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405263573 780158877 /nfs/dbraw/zinc/15/88/77/780158877.db2.gz KILCSYBEOMSPTA-AEJSXWLSSA-N 0 3 253.302 -1.458 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001216833994 780158999 /nfs/dbraw/zinc/15/89/99/780158999.db2.gz DYVYCTHSPMNDRF-RKDXNWHRSA-N 0 3 299.375 -1.384 20 0 CAADHN O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)C1CNC1 ZINC000405138039 780159176 /nfs/dbraw/zinc/15/91/76/780159176.db2.gz KKWVDSSUCUWOME-NXEZZACHSA-N 0 3 275.374 -1.259 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C)C(N)=O ZINC001217016290 780159217 /nfs/dbraw/zinc/15/92/17/780159217.db2.gz NGFANLLHYCUNTB-KXUCPTDWSA-N 0 3 284.360 -1.048 20 0 CAADHN CCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001216843107 780159313 /nfs/dbraw/zinc/15/93/13/780159313.db2.gz WLQMCEZDXCJIGY-RKDXNWHRSA-N 0 3 291.373 -1.657 20 0 CAADHN CS(=O)(=O)N1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000405207718 780159456 /nfs/dbraw/zinc/15/94/56/780159456.db2.gz ZDPNBXDHFLPTCE-UHFFFAOYSA-N 0 3 283.375 -2.135 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)C2CNC2)C1 ZINC000405066533 780159691 /nfs/dbraw/zinc/15/96/91/780159691.db2.gz AZOYSBTYIARACU-SSDOTTSWSA-N 0 3 283.375 -2.089 20 0 CAADHN O=C(CCn1ccnn1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405248424 780159794 /nfs/dbraw/zinc/15/97/94/780159794.db2.gz GZRMAXLCELGDQZ-WDEREUQCSA-N 0 3 265.317 -1.054 20 0 CAADHN COCCOCCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001216965512 780159942 /nfs/dbraw/zinc/15/99/42/780159942.db2.gz WCWHKNVXYAPSRB-GHMZBOCLSA-N 0 3 287.360 -1.039 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1C)C(N)=O ZINC001217016291 780159978 /nfs/dbraw/zinc/15/99/78/780159978.db2.gz NGFANLLHYCUNTB-OPRDCNLKSA-N 0 3 284.360 -1.048 20 0 CAADHN O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)C1CNC1 ZINC000405138042 780159989 /nfs/dbraw/zinc/15/99/89/780159989.db2.gz KKWVDSSUCUWOME-ZJUUUORDSA-N 0 3 275.374 -1.259 20 0 CAADHN Cn1c(CNC(C)(C)CC(N)=O)cc(=O)n(C)c1=O ZINC000186223347 780160014 /nfs/dbraw/zinc/16/00/14/780160014.db2.gz OJEFNWCJUFLMOI-UHFFFAOYSA-N 0 3 268.317 -1.172 20 0 CAADHN C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1NCC(N)=O ZINC001217021423 780160035 /nfs/dbraw/zinc/16/00/35/780160035.db2.gz HDDJQZBRMPEQFN-RKDXNWHRSA-N 0 3 270.333 -1.436 20 0 CAADHN CS(=O)(=O)N1CC[C@H](NS(=O)(=O)C2CNC2)C1 ZINC000405066539 780160042 /nfs/dbraw/zinc/16/00/42/780160042.db2.gz AZOYSBTYIARACU-ZETCQYMHSA-N 0 3 283.375 -2.089 20 0 CAADHN CC(C)N1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217270267 780160813 /nfs/dbraw/zinc/16/08/13/780160813.db2.gz JVIDAXGXVDZQQQ-VHSXEESVSA-N 0 3 270.333 -1.025 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCN3C[C@H](O)C[C@H]3C2)CCO1 ZINC000405337436 780160837 /nfs/dbraw/zinc/16/08/37/780160837.db2.gz AWZNBDKBTRAXNB-FRRDWIJNSA-N 0 3 283.372 -1.016 20 0 CAADHN CN1N=C(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCC1=O ZINC000405294793 780161183 /nfs/dbraw/zinc/16/11/83/780161183.db2.gz FTAJXLMVDQJIQB-VHSXEESVSA-N 0 3 280.328 -1.128 20 0 CAADHN NC(=O)NCC(=O)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC001217276101 780161331 /nfs/dbraw/zinc/16/13/31/780161331.db2.gz QOFHAHNYMHVHIJ-WDEREUQCSA-N 0 3 282.344 -1.024 20 0 CAADHN NCC(=O)N[C@@H](CO)c1nnc([C@@H]2CCOC2)o1 ZINC001217745583 780162561 /nfs/dbraw/zinc/16/25/61/780162561.db2.gz ABPKLZWCLDBAFF-RQJHMYQMSA-N 0 3 256.262 -1.318 20 0 CAADHN Cn1nnnc1NC(=O)[C@H](N)CCCNC(N)=O ZINC001218496625 780165267 /nfs/dbraw/zinc/16/52/67/780165267.db2.gz MPVBGPFUBZSLLC-RXMQYKEDSA-N 0 3 256.270 -2.076 20 0 CAADHN Cn1cnc(NC(=O)[C@@H]2COC3(CNC3)CN2)n1 ZINC001218502658 780165338 /nfs/dbraw/zinc/16/53/38/780165338.db2.gz UICVIQSYLAZOIY-ZETCQYMHSA-N 0 3 252.278 -1.916 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)Nc2nnnn2C)COC1(C)C ZINC001218497799 780165379 /nfs/dbraw/zinc/16/53/79/780165379.db2.gz UYGYTDVXHWEMRF-BQBZGAKWSA-N 0 3 297.319 -1.541 20 0 CAADHN Cn1[nH]cnc1=NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218500524 780165601 /nfs/dbraw/zinc/16/56/01/780165601.db2.gz CMESGZKXRCWPAQ-ZETCQYMHSA-N 0 3 252.278 -2.494 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nnco1 ZINC001218502773 780165675 /nfs/dbraw/zinc/16/56/75/780165675.db2.gz XMICVHVDCWRWNA-WHFBIAKZSA-N 0 3 270.249 -2.285 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)N=c2nc[nH]n2C)COC1(C)C ZINC001218500798 780165712 /nfs/dbraw/zinc/16/57/12/780165712.db2.gz HPUQMYLYRSPRJQ-YUMQZZPRSA-N 0 3 296.331 -1.514 20 0 CAADHN Cn1cnc(NC(=O)[C@H]2COC3(CNC3)CN2)n1 ZINC001218502655 780165796 /nfs/dbraw/zinc/16/57/96/780165796.db2.gz UICVIQSYLAZOIY-SSDOTTSWSA-N 0 3 252.278 -1.916 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nccn1C ZINC001218498391 780165883 /nfs/dbraw/zinc/16/58/83/780165883.db2.gz UVKSJRHICVMVSA-BQBZGAKWSA-N 0 3 282.304 -1.934 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncccn1 ZINC001218495691 780165933 /nfs/dbraw/zinc/16/59/33/780165933.db2.gz QCUZFNDSOAFBED-BQBZGAKWSA-N 0 3 280.288 -1.878 20 0 CAADHN Cc1c(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cnn1C ZINC001218504992 780166221 /nfs/dbraw/zinc/16/62/21/780166221.db2.gz JXPKAPPGFXEMBW-XPUUQOCRSA-N 0 3 296.331 -1.626 20 0 CAADHN Cn1ccnc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218498346 780166265 /nfs/dbraw/zinc/16/62/65/780166265.db2.gz UHWUKXAPUZAQKW-MRVPVSSYSA-N 0 3 251.290 -1.311 20 0 CAADHN Cc1c[nH]nc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218515876 780167392 /nfs/dbraw/zinc/16/73/92/780167392.db2.gz ZJKQKTHZCBBEHY-QMMMGPOBSA-N 0 3 251.290 -1.013 20 0 CAADHN Nc1cccnc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218539023 780168329 /nfs/dbraw/zinc/16/83/29/780168329.db2.gz WKLFWXZPDBUOQK-SECBINFHSA-N 0 3 263.301 -1.067 20 0 CAADHN N=c1scc(N)n1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001218541266 780168363 /nfs/dbraw/zinc/16/83/63/780168363.db2.gz PWGJGJYOQOFZBL-ZCFIWIBFSA-N 0 3 269.330 -1.418 20 0 CAADHN Cc1[n-][nH]c2ncnc(=NC(=O)[C@@H]3C[C@@H]([NH3+])CN3)c1-2 ZINC001218527951 780168655 /nfs/dbraw/zinc/16/86/55/780168655.db2.gz PRXTWTMBOSHEAU-RQJHMYQMSA-N 0 3 261.289 -1.337 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nonc1N ZINC001218542105 780168699 /nfs/dbraw/zinc/16/86/99/780168699.db2.gz LLTWPFMDMOHLJR-IMJSIDKUSA-N 0 3 285.264 -2.702 20 0 CAADHN N[C@@]1(C(=O)N=c2ncnc3[nH][n-]cc2-3)CCC[NH2+]C1 ZINC001218518662 780168762 /nfs/dbraw/zinc/16/87/62/780168762.db2.gz RWNCFLXGUSYSBP-NSHDSACASA-N 0 3 261.289 -1.254 20 0 CAADHN N=c1scc(N)n1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218541263 780168849 /nfs/dbraw/zinc/16/88/49/780168849.db2.gz PWGJGJYOQOFZBL-LURJTMIESA-N 0 3 269.330 -1.418 20 0 CAADHN COc1cc(NC(=O)[C@@H]2COC3(CNC3)CN2)ncn1 ZINC001218536204 780168932 /nfs/dbraw/zinc/16/89/32/780168932.db2.gz PZJYKYKOTANZEZ-QMMMGPOBSA-N 0 3 279.300 -1.246 20 0 CAADHN Nc1nonc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218540788 780169076 /nfs/dbraw/zinc/16/90/76/780169076.db2.gz AGVSEMVTEQELJL-RXMQYKEDSA-N 0 3 254.250 -2.079 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)Nc2nonc2N)COC1(C)C ZINC001218542825 780169142 /nfs/dbraw/zinc/16/91/42/780169142.db2.gz OLCGQSFKBAKZSP-WDSKDSINSA-N 0 3 298.303 -1.099 20 0 CAADHN Cc1[n-][nH]c2ncnc(=NC(=O)[C@@H](N)CSCC[NH3+])c1-2 ZINC001218529183 780169253 /nfs/dbraw/zinc/16/92/53/780169253.db2.gz YZBHMVHOKGZISV-ZETCQYMHSA-N 0 3 295.372 -1.007 20 0 CAADHN Cc1noc([N-]C(=O)[C@@]23C[NH2+]C[C@H]2CCN3)c1C(N)=O ZINC001218551238 780170149 /nfs/dbraw/zinc/17/01/49/780170149.db2.gz KIBPSQMENPPRKS-JMCQJSRRSA-N 0 3 279.300 -1.028 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)Nc1c[nH]nc1C(N)=O ZINC001218563972 780170275 /nfs/dbraw/zinc/17/02/75/780170275.db2.gz GWCGEJQFZDTJDO-RCOVLWMOSA-N 0 3 296.331 -1.063 20 0 CAADHN O=C(Nc1ncnn2cccc12)[C@@H]1COC2(CNC2)CN1 ZINC001218563867 780170285 /nfs/dbraw/zinc/17/02/85/780170285.db2.gz FDZPICKCBWIGNS-VIFPVBQESA-N 0 3 288.311 -1.580 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)Nc1c[nH]nc1C(N)=O ZINC001218564627 780170339 /nfs/dbraw/zinc/17/03/39/780170339.db2.gz LPWTUIKELPKOEY-ZETCQYMHSA-N 0 3 277.288 -1.249 20 0 CAADHN Cc1noc([N-]C(=O)[C@H]2[NH2+]CC[C@@H]2O)c1C(N)=O ZINC001218551979 780170636 /nfs/dbraw/zinc/17/06/36/780170636.db2.gz WVVWIFLTWAARAN-FSPLSTOPSA-N 0 3 254.246 -1.257 20 0 CAADHN Cc1noc([N-]C(=O)[C@]23C[NH2+]C[C@@H]2CCN3)c1C(N)=O ZINC001218551242 780170768 /nfs/dbraw/zinc/17/07/68/780170768.db2.gz KIBPSQMENPPRKS-MADCSZMMSA-N 0 3 279.300 -1.028 20 0 CAADHN Cc1noc([N-]C(=O)[C@@]2(N)CC[NH2+]C2)c1C(N)=O ZINC001218551718 780170900 /nfs/dbraw/zinc/17/09/00/780170900.db2.gz TWJXGGPNHHGDDJ-SNVBAGLBSA-N 0 3 253.262 -1.289 20 0 CAADHN Cc1nc(NC(=O)[C@H]2COC3(C[NH2+]C3)CN2)cc(=O)[n-]1 ZINC001218565027 780170977 /nfs/dbraw/zinc/17/09/77/780170977.db2.gz PDLSEEZASPBZHG-MRVPVSSYSA-N 0 3 279.300 -1.240 20 0 CAADHN Cc1ncc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cn1 ZINC001218575919 780171503 /nfs/dbraw/zinc/17/15/03/780171503.db2.gz NCMXXWJANCOUPH-RCOVLWMOSA-N 0 3 294.315 -1.569 20 0 CAADHN NC(=O)c1n[nH]cc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218565255 780171680 /nfs/dbraw/zinc/17/16/80/780171680.db2.gz RTTOXCUXVKPVKE-SSDOTTSWSA-N 0 3 280.288 -2.223 20 0 CAADHN O=C(Nc1[nH]nc2nccnc21)[C@@H]1COC2(CNC2)CN1 ZINC001218569134 780171992 /nfs/dbraw/zinc/17/19/92/780171992.db2.gz UCOZEAPGIKCSRP-ZETCQYMHSA-N 0 3 289.299 -1.427 20 0 CAADHN Nc1c(=O)c(=O)c1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218587944 780173428 /nfs/dbraw/zinc/17/34/28/780173428.db2.gz IYGCGONJVDJFHR-YFKPBYRVSA-N 0 3 266.257 -2.866 20 0 CAADHN COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H](N)C[NH3+] ZINC001218595975 780173481 /nfs/dbraw/zinc/17/34/81/780173481.db2.gz DQSPJUUGRHWECY-LURJTMIESA-N 0 3 284.272 -1.188 20 0 CAADHN COC(=O)c1cncc(NC(=O)[C@@H]2CNCCN2)n1 ZINC001218580374 780173643 /nfs/dbraw/zinc/17/36/43/780173643.db2.gz OMRUKZNWHASFTL-ZETCQYMHSA-N 0 3 265.273 -1.237 20 0 CAADHN NC(=O)c1nccnc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218618162 780174628 /nfs/dbraw/zinc/17/46/28/780174628.db2.gz OHDYNLYYWYQDBG-ZETCQYMHSA-N 0 3 292.299 -2.156 20 0 CAADHN N=c1ccc(F)c(N)n1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218604994 780175180 /nfs/dbraw/zinc/17/51/80/780175180.db2.gz ZTXXJSHRGXEXGY-QMMMGPOBSA-N 0 3 281.291 -1.341 20 0 CAADHN Nc1cnc(NC(=O)[C@H]2COC3(CNC3)CN2)cn1 ZINC001218623179 780176593 /nfs/dbraw/zinc/17/65/93/780176593.db2.gz BLXHJBOLIQLNDG-SSDOTTSWSA-N 0 3 264.289 -1.672 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnn(C)n1 ZINC001218627658 780176880 /nfs/dbraw/zinc/17/68/80/780176880.db2.gz ZAINWOCVGZUZBU-WDSKDSINSA-N 0 3 283.292 -2.539 20 0 CAADHN Cn1ncc(NC(=O)[C@H]2COC3(CNC3)CN2)n1 ZINC001218628977 780176960 /nfs/dbraw/zinc/17/69/60/780176960.db2.gz NJYARKFGXPESQA-SSDOTTSWSA-N 0 3 252.278 -1.916 20 0 CAADHN Cn1cncc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218622360 780177091 /nfs/dbraw/zinc/17/70/91/780177091.db2.gz RUFBHCISXRTDIE-QMMMGPOBSA-N 0 3 251.290 -1.311 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cn[nH]c(=O)c1 ZINC001218652652 780178411 /nfs/dbraw/zinc/17/84/11/780178411.db2.gz NJGWMFBQUSLHGY-FSPLSTOPSA-N 0 3 296.287 -2.172 20 0 CAADHN Nc1cnc(Cl)c(NC(=O)[C@H]2COC3(CNC3)CN2)n1 ZINC001218674133 780179369 /nfs/dbraw/zinc/17/93/69/780179369.db2.gz RPKSIESEVRCUPH-ZCFIWIBFSA-N 0 3 298.734 -1.019 20 0 CAADHN COCn1cc(NC(=O)[C@@H]2COC3(CNC3)CN2)cn1 ZINC001218700204 780181058 /nfs/dbraw/zinc/18/10/58/780181058.db2.gz GGEFZQMSCKBQHO-JTQLQIEISA-N 0 3 281.316 -1.244 20 0 CAADHN COCn1cc(NC(=O)[C@H]2COC3(CNC3)CN2)cn1 ZINC001218700205 780181195 /nfs/dbraw/zinc/18/11/95/780181195.db2.gz GGEFZQMSCKBQHO-SNVBAGLBSA-N 0 3 281.316 -1.244 20 0 CAADHN CCOC(=O)c1ncncc1NC(=O)[C@@H](N)CN ZINC001218679868 780181521 /nfs/dbraw/zinc/18/15/21/780181521.db2.gz ZOAVZVGJRBTYBF-LURJTMIESA-N 0 3 253.262 -1.122 20 0 CAADHN Cc1c(NC(=O)[C@H]2COC3(CNC3)CN2)ncn1C ZINC001218691124 780181633 /nfs/dbraw/zinc/18/16/33/780181633.db2.gz GHLOOFUNERCBPT-SECBINFHSA-N 0 3 265.317 -1.003 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnnn1C ZINC001218699699 780181665 /nfs/dbraw/zinc/18/16/65/780181665.db2.gz DESGDPMBDRSWSZ-WDSKDSINSA-N 0 3 283.292 -2.539 20 0 CAADHN Cc1c(NC(=O)[C@@H]2COC3(CNC3)CN2)ncn1C ZINC001218691127 780181702 /nfs/dbraw/zinc/18/17/02/780181702.db2.gz GHLOOFUNERCBPT-VIFPVBQESA-N 0 3 265.317 -1.003 20 0 CAADHN Cc1ncn(C)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218697772 780181791 /nfs/dbraw/zinc/18/17/91/780181791.db2.gz IOUDDZCQYYEFBE-XPUUQOCRSA-N 0 3 296.331 -1.626 20 0 CAADHN NC(=O)c1cnoc1[N-]C(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001218702761 780182369 /nfs/dbraw/zinc/18/23/69/780182369.db2.gz WDJNUHLRYXPLED-UPONEAKYSA-N 0 3 265.273 -1.337 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc[nH]1 ZINC001218716685 780182572 /nfs/dbraw/zinc/18/25/72/780182572.db2.gz ZYTRBOFLEWPCIE-BQBZGAKWSA-N 0 3 267.289 -1.339 20 0 CAADHN CN(C)c1cc(NC(=O)[C@@H]2COC3(CNC3)CN2)[nH]n1 ZINC001218742590 780182604 /nfs/dbraw/zinc/18/26/04/780182604.db2.gz IHAMPGGIXDBOQS-QMMMGPOBSA-N 0 3 280.332 -1.255 20 0 CAADHN CCOC(=O)c1nc(NC(=O)[C@@H](N)CN)cn1C ZINC001218708285 780182693 /nfs/dbraw/zinc/18/26/93/780182693.db2.gz ZUECUNBIBLNPJA-LURJTMIESA-N 0 3 255.278 -1.179 20 0 CAADHN CCN=c1ncc(N)cn1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001218740273 780182739 /nfs/dbraw/zinc/18/27/39/780182739.db2.gz XSQDGRBACXNASS-SNVBAGLBSA-N 0 3 292.343 -1.644 20 0 CAADHN NC(=O)c1cnoc1[N-]C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001218702371 780182825 /nfs/dbraw/zinc/18/28/25/780182825.db2.gz OPNYDFDWAMCBSP-SNVBAGLBSA-N 0 3 253.262 -1.207 20 0 CAADHN CN=c1c(N)cc(Cl)nn1C(=O)[C@@H]1CNCCN1 ZINC001218743065 780183211 /nfs/dbraw/zinc/18/32/11/780183211.db2.gz NGXQJRAAAFYZOD-ZETCQYMHSA-N 0 3 270.724 -1.149 20 0 CAADHN CCOC(=O)c1ncc(NC(=O)[C@@H](N)CN)cn1 ZINC001218756924 780184125 /nfs/dbraw/zinc/18/41/25/780184125.db2.gz JOAAIXDJLQSVRA-ZETCQYMHSA-N 0 3 253.262 -1.122 20 0 CAADHN O=C(Nc1cnn2c1OCCC2)[C@H]1COC2(CNC2)CN1 ZINC001218794888 780184302 /nfs/dbraw/zinc/18/43/02/780184302.db2.gz VWHKNIJDXPHZLX-SNVBAGLBSA-N 0 3 293.327 -1.066 20 0 CAADHN CCN(CC)CC(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 ZINC001218813869 780184844 /nfs/dbraw/zinc/18/48/44/780184844.db2.gz HRCBFRLJNHKNIU-NWDGAFQWSA-N 0 3 298.387 -1.275 20 0 CAADHN CCCN(C)CC(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 ZINC001219002772 780186211 /nfs/dbraw/zinc/18/62/11/780186211.db2.gz BKPFBSAYUSYROY-NWDGAFQWSA-N 0 3 298.387 -1.275 20 0 CAADHN COCCCN1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001219135573 780193423 /nfs/dbraw/zinc/19/34/23/780193423.db2.gz CLSYCCNGLKYYAA-MNOVXSKESA-N 0 3 296.327 -1.006 20 0 CAADHN CC[C@@H](CN1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1)OC ZINC001219110307 780193883 /nfs/dbraw/zinc/19/38/83/780193883.db2.gz KODMJTLJXFUBPG-TUAOUCFPSA-N 0 3 287.360 -1.291 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001219110695 780194321 /nfs/dbraw/zinc/19/43/21/780194321.db2.gz VOYOVLYXCFDSGL-XQQFMLRXSA-N 0 3 299.371 -1.147 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001219163095 780196644 /nfs/dbraw/zinc/19/66/44/780196644.db2.gz FOXCHYRAKVYSTN-BBBLOLIVSA-N 0 3 286.332 -2.148 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](O)C1 ZINC001219151934 780197009 /nfs/dbraw/zinc/19/70/09/780197009.db2.gz UJSKIMZATGDVPW-WCQGTBRESA-N 0 3 287.360 -1.291 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O ZINC001219168949 780198405 /nfs/dbraw/zinc/19/84/05/780198405.db2.gz RUCXGYPZMGLHDA-ZJUUUORDSA-N 0 3 290.339 -1.044 20 0 CAADHN CC[C@@H](CN1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1)OC ZINC001219168872 780198747 /nfs/dbraw/zinc/19/87/47/780198747.db2.gz PPSKYAPTQKRSJO-AEJSXWLSSA-N 0 3 288.348 -1.759 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001219223001 780202010 /nfs/dbraw/zinc/20/20/10/780202010.db2.gz AEHBKJVEWMXVPB-UPJWGTAASA-N 0 3 299.371 -1.338 20 0 CAADHN COC(=O)NCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001219271749 780204450 /nfs/dbraw/zinc/20/44/50/780204450.db2.gz ZYDDYRZZSNWOQL-ZJUUUORDSA-N 0 3 271.317 -1.086 20 0 CAADHN COCCOC[C@H](O)CNCC(=O)N1CCOCC1 ZINC000311313897 780204720 /nfs/dbraw/zinc/20/47/20/780204720.db2.gz CPBGCDKLLHEQER-LLVKDONJSA-N 0 3 276.333 -1.541 20 0 CAADHN C[C@H](O)CN1CCN(CCCN2C(=O)CNC2=O)CC1 ZINC000189402272 780206109 /nfs/dbraw/zinc/20/61/09/780206109.db2.gz RCVATEXWABFKTK-NSHDSACASA-N 0 3 284.360 -1.073 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001219355992 780212754 /nfs/dbraw/zinc/21/27/54/780212754.db2.gz SSLXLZMDIWTIDL-MXWKQRLJSA-N 0 3 285.344 -1.537 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001219377546 780214996 /nfs/dbraw/zinc/21/49/96/780214996.db2.gz PMKPGOFXRPWJOD-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001219412777 780217979 /nfs/dbraw/zinc/21/79/79/780217979.db2.gz FETMHPYAUKZTIZ-MXWKQRLJSA-N 0 3 285.344 -1.550 20 0 CAADHN C[C@@H](O)CCCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413221 780219034 /nfs/dbraw/zinc/21/90/34/780219034.db2.gz MSQGBFNFWWKAMB-BBBLOLIVSA-N 0 3 273.333 -1.816 20 0 CAADHN CCO[C@@H](CN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)C1CC1 ZINC001219412857 780219298 /nfs/dbraw/zinc/21/92/98/780219298.db2.gz GFOGNJHYAZWWLN-WOPDTQHZSA-N 0 3 299.371 -1.162 20 0 CAADHN C[C@@H](F)CCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413381 780219962 /nfs/dbraw/zinc/21/99/62/780219962.db2.gz POZIHDSKJUODKJ-HLTSFMKQSA-N 0 3 261.297 -1.229 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001219413473 780220370 /nfs/dbraw/zinc/22/03/70/780220370.db2.gz SELLLZOTNDDIKT-MXWKQRLJSA-N 0 3 285.344 -1.408 20 0 CAADHN COCCN1C[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001219432724 780221019 /nfs/dbraw/zinc/22/10/19/780221019.db2.gz KMUVKBZJXYYWDF-ZJUUUORDSA-N 0 3 283.332 -1.455 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)[C@@H](O)C1 ZINC001219451733 780221024 /nfs/dbraw/zinc/22/10/24/780221024.db2.gz MBBKHGRYTDUENW-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN CCOCCCN1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001219505648 780225649 /nfs/dbraw/zinc/22/56/49/780225649.db2.gz GSDGXUUTRXCSBP-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219521839 780226254 /nfs/dbraw/zinc/22/62/54/780226254.db2.gz YVOPJPIICZEUMU-AEJSXWLSSA-N 0 3 272.349 -1.140 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219519410 780226479 /nfs/dbraw/zinc/22/64/79/780226479.db2.gz PILDNDNEBKESBT-AEJSXWLSSA-N 0 3 288.348 -1.759 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O ZINC001219510333 780227404 /nfs/dbraw/zinc/22/74/04/780227404.db2.gz KOELJALARUASDD-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001219510456 780227509 /nfs/dbraw/zinc/22/75/09/780227509.db2.gz PJWIXIOTYVLAFU-ZJUUUORDSA-N 0 3 255.318 -1.306 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)NCCO)COC1(C)C ZINC001219555501 780228353 /nfs/dbraw/zinc/22/83/53/780228353.db2.gz CMZBZNAHJKZFIG-YUMQZZPRSA-N 0 3 259.306 -1.594 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219546873 780229309 /nfs/dbraw/zinc/22/93/09/780229309.db2.gz KYNKAOSRRSALSF-UTLUCORTSA-N 0 3 287.316 -1.707 20 0 CAADHN CC(C)OCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001219559752 780229893 /nfs/dbraw/zinc/22/98/93/780229893.db2.gz ISHVLLYJUOYYHW-IUCAKERBSA-N 0 3 288.348 -1.765 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)[C@@H](N)CC[S@](C)=O ZINC001219558213 780230404 /nfs/dbraw/zinc/23/04/04/780230404.db2.gz NBSNYAXIDAJKFG-NYVJYKTGSA-N 0 3 252.336 -2.060 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219558148 780230887 /nfs/dbraw/zinc/23/08/87/780230887.db2.gz KWSPEKJCOVWGJB-IWSPIJDZSA-N 0 3 259.306 -2.825 20 0 CAADHN O=C(NCCn1ccnc1)[C@H]1COC2(CNC2)CN1 ZINC001219563722 780231699 /nfs/dbraw/zinc/23/16/99/780231699.db2.gz JNSJYRBEFOSZSR-SNVBAGLBSA-N 0 3 265.317 -1.670 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCn1ccnn1 ZINC001219565374 780232326 /nfs/dbraw/zinc/23/23/26/780232326.db2.gz DONOBOZQMLPPDS-ONGXEEELSA-N 0 3 282.348 -1.116 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NCCn2ccnn2)C1=O ZINC001219565437 780232444 /nfs/dbraw/zinc/23/24/44/780232444.db2.gz HQCNSIJBIADNDT-JTQLQIEISA-N 0 3 280.332 -1.266 20 0 CAADHN O=C(NCCN1CCCCC1=O)[C@@H]1COC2(CNC2)CN1 ZINC001219568075 780232629 /nfs/dbraw/zinc/23/26/29/780232629.db2.gz YGTXVUYGPOHRRN-NSHDSACASA-N 0 3 296.371 -1.555 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(F)F ZINC001219562264 780232647 /nfs/dbraw/zinc/23/26/47/780232647.db2.gz WBSVOSQQULPKPG-WHFBIAKZSA-N 0 3 266.248 -1.925 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)[C@@H](N)Cc2nnn[n-]2)C[NH2+]1 ZINC001219582361 780233688 /nfs/dbraw/zinc/23/36/88/780233688.db2.gz CEWAWWGLTFROLI-FXQIFTODSA-N 0 3 253.310 -1.674 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)[C@@H](N)Cc2nn[n-]n2)C[NH2+]1 ZINC001219582361 780233697 /nfs/dbraw/zinc/23/36/97/780233697.db2.gz CEWAWWGLTFROLI-FXQIFTODSA-N 0 3 253.310 -1.674 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001219570961 780233753 /nfs/dbraw/zinc/23/37/53/780233753.db2.gz DLHNMBNDWBPTKD-ZJUUUORDSA-N 0 3 272.349 -1.125 20 0 CAADHN Cc1cc(C)n(CCNC(=O)[C@@H]2COC3(CNC3)CN2)n1 ZINC001219595512 780235668 /nfs/dbraw/zinc/23/56/68/780235668.db2.gz DBFPTEBJOOFDPZ-LBPRGKRZSA-N 0 3 293.371 -1.053 20 0 CAADHN Cc1cnc(CCNC(=O)[C@@H]2COC3(CNC3)CN2)nc1 ZINC001219601909 780236525 /nfs/dbraw/zinc/23/65/25/780236525.db2.gz ZVGIPHUCNWJNKI-NSHDSACASA-N 0 3 291.355 -1.226 20 0 CAADHN Cc1cnc(CCNC(=O)[C@H]2COC3(CNC3)CN2)nc1 ZINC001219601908 780236674 /nfs/dbraw/zinc/23/66/74/780236674.db2.gz ZVGIPHUCNWJNKI-LLVKDONJSA-N 0 3 291.355 -1.226 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCc1c[nH]cn1 ZINC001219606566 780236721 /nfs/dbraw/zinc/23/67/21/780236721.db2.gz OQGNNYOPYWDNRF-MRVPVSSYSA-N 0 3 254.294 -1.198 20 0 CAADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1NCCS1 ZINC001219617629 780236960 /nfs/dbraw/zinc/23/69/60/780236960.db2.gz NCAUXRQDBFHPLY-FXBDTBDDSA-N 0 3 263.338 -1.172 20 0 CAADHN O=C(NCc1c[nH]cn1)[C@H]1COC2(CNC2)CN1 ZINC001219606692 780237146 /nfs/dbraw/zinc/23/71/46/780237146.db2.gz QQJGXYODGDJRPS-SECBINFHSA-N 0 3 251.290 -1.644 20 0 CAADHN CS(=O)(=O)CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219608022 780238395 /nfs/dbraw/zinc/23/83/95/780238395.db2.gz MBDWYOBHMYOGFV-QMMMGPOBSA-N 0 3 277.346 -2.522 20 0 CAADHN CC(=O)OC[C@H](N)C(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219617305 780240361 /nfs/dbraw/zinc/24/03/61/780240361.db2.gz JWOYMQAWICAPQH-ATZCPNFKSA-N 0 3 277.296 -1.945 20 0 CAADHN CC1(C)N[C@H](C(=O)NC[C@]2(O)CCNC[C@@H]2F)CO1 ZINC001219619391 780240644 /nfs/dbraw/zinc/24/06/44/780240644.db2.gz GQNLYCUUDCPPNK-HOTUBEGUSA-N 0 3 275.324 -1.110 20 0 CAADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1CNCCC1=O ZINC001219620298 780241441 /nfs/dbraw/zinc/24/14/41/780241441.db2.gz ZJHHWGCRGRYRME-UBHAPETDSA-N 0 3 273.308 -1.656 20 0 CAADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1COCCN1 ZINC001219619626 780241512 /nfs/dbraw/zinc/24/15/12/780241512.db2.gz LUYCMADQTCDYDG-ATZCPNFKSA-N 0 3 261.297 -1.847 20 0 CAADHN C[C@]1(C(=O)NC[C@]2(O)CCNC[C@@H]2F)COCCN1 ZINC001219619883 780242221 /nfs/dbraw/zinc/24/22/21/780242221.db2.gz RDHGWSBKQMBBQS-MVWJERBFSA-N 0 3 275.324 -1.456 20 0 CAADHN O=C(NCCN1CCCCO1)[C@H]1COC2(CNC2)CN1 ZINC001219632352 780242911 /nfs/dbraw/zinc/24/29/11/780242911.db2.gz LDZKYPQXNQEAQF-LLVKDONJSA-N 0 3 284.360 -1.540 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCCN1CCCCO1 ZINC001219632272 780243877 /nfs/dbraw/zinc/24/38/77/780243877.db2.gz JPFQXOSRVMTZHZ-SNVBAGLBSA-N 0 3 287.364 -1.094 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219669379 780244991 /nfs/dbraw/zinc/24/49/91/780244991.db2.gz WEXAUGBTTRSDLY-VXNVDRBHSA-N 0 3 272.330 -1.417 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219669377 780245234 /nfs/dbraw/zinc/24/52/34/780245234.db2.gz WEXAUGBTTRSDLY-CBAPKCEASA-N 0 3 272.330 -1.417 20 0 CAADHN C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001219642263 780245477 /nfs/dbraw/zinc/24/54/77/780245477.db2.gz QUGMVCKYCRMGDQ-YIZRAAEISA-N 0 3 267.337 -1.569 20 0 CAADHN C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001219642263 780245483 /nfs/dbraw/zinc/24/54/83/780245483.db2.gz QUGMVCKYCRMGDQ-YIZRAAEISA-N 0 3 267.337 -1.569 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219669376 780245915 /nfs/dbraw/zinc/24/59/15/780245915.db2.gz WEXAUGBTTRSDLY-APPZFPTMSA-N 0 3 272.330 -1.417 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)NC2(C(N)=O)CC2)COC1(C)C ZINC001219681837 780247995 /nfs/dbraw/zinc/24/79/95/780247995.db2.gz CFMQHLKRKDRPRL-YUMQZZPRSA-N 0 3 298.343 -1.569 20 0 CAADHN CN(C(=O)CCNC(=O)[C@H](N)CCCNC(N)=O)C1CC1 ZINC001219692554 780248136 /nfs/dbraw/zinc/24/81/36/780248136.db2.gz CZVORHZTBBKJFW-SNVBAGLBSA-N 0 3 299.375 -1.111 20 0 CAADHN NC(=O)C1(NC(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001219682801 780248185 /nfs/dbraw/zinc/24/81/85/780248185.db2.gz QGEZHCBKNDFBJX-ZETCQYMHSA-N 0 3 254.290 -2.549 20 0 CAADHN CN1CCO[C@H](CNC(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001219694024 780248703 /nfs/dbraw/zinc/24/87/03/780248703.db2.gz DGQXLTQWLHHHGJ-GHMZBOCLSA-N 0 3 267.333 -1.274 20 0 CAADHN C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)Cc2nnn[n-]2)C[NH2+]1 ZINC001219685240 780248738 /nfs/dbraw/zinc/24/87/38/780248738.db2.gz XWLACRJSIPRJCR-PRJMDXOYSA-N 0 3 253.310 -1.816 20 0 CAADHN C[C@@H]1C[C@@H](CNC(=O)[C@@H](N)Cc2nn[n-]n2)C[NH2+]1 ZINC001219685240 780248743 /nfs/dbraw/zinc/24/87/43/780248743.db2.gz XWLACRJSIPRJCR-PRJMDXOYSA-N 0 3 253.310 -1.816 20 0 CAADHN NC(=O)C1(NC(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001219682800 780248750 /nfs/dbraw/zinc/24/87/50/780248750.db2.gz QGEZHCBKNDFBJX-SSDOTTSWSA-N 0 3 254.290 -2.549 20 0 CAADHN CCOC(=O)CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219690827 780248794 /nfs/dbraw/zinc/24/87/94/780248794.db2.gz CNAKPCJLUAMJDZ-SECBINFHSA-N 0 3 271.317 -1.614 20 0 CAADHN O=C(NCc1cc[nH]n1)[C@H]1COC2(CNC2)CN1 ZINC001219689537 780248802 /nfs/dbraw/zinc/24/88/02/780248802.db2.gz XAVWLRSVSPCHAO-SECBINFHSA-N 0 3 251.290 -1.644 20 0 CAADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC1(C(N)=O)CC1 ZINC001219682331 780249176 /nfs/dbraw/zinc/24/91/76/780249176.db2.gz LHGFMDJPLOUTKK-IUCAKERBSA-N 0 3 284.360 -1.001 20 0 CAADHN CN1CCO[C@@H](CNC(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001219694499 780250225 /nfs/dbraw/zinc/25/02/25/780250225.db2.gz KBJRFRFYIGJWQQ-LXIMFEHMSA-N 0 3 277.390 -1.471 20 0 CAADHN Nc1nc(=O)[nH]cc1NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001219700767 780250592 /nfs/dbraw/zinc/25/05/92/780250592.db2.gz DDHXDANTPANBEF-LURJTMIESA-N 0 3 263.261 -1.004 20 0 CAADHN Nc1nc(=O)[nH]cc1NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001219700767 780250599 /nfs/dbraw/zinc/25/05/99/780250599.db2.gz DDHXDANTPANBEF-LURJTMIESA-N 0 3 263.261 -1.004 20 0 CAADHN Nc1nc(=O)[nH]cc1NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001219700768 780250779 /nfs/dbraw/zinc/25/07/79/780250779.db2.gz DDHXDANTPANBEF-ZCFIWIBFSA-N 0 3 263.261 -1.004 20 0 CAADHN Nc1nc(=O)[nH]cc1NC(=O)[C@H](N)Cc1cnc[nH]1 ZINC001219700768 780250785 /nfs/dbraw/zinc/25/07/85/780250785.db2.gz DDHXDANTPANBEF-ZCFIWIBFSA-N 0 3 263.261 -1.004 20 0 CAADHN Nc1nc(=O)[nH]cc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219701367 780251589 /nfs/dbraw/zinc/25/15/89/780251589.db2.gz MMDLEBNPNRZJFC-SSDOTTSWSA-N 0 3 280.288 -1.967 20 0 CAADHN Nc1nc(=O)[nH]cc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219701368 780251716 /nfs/dbraw/zinc/25/17/16/780251716.db2.gz MMDLEBNPNRZJFC-ZETCQYMHSA-N 0 3 280.288 -1.967 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219735061 780253324 /nfs/dbraw/zinc/25/33/24/780253324.db2.gz RXQWQLDXRRIAJY-ZJUUUORDSA-N 0 3 293.389 -1.505 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001219736228 780253669 /nfs/dbraw/zinc/25/36/69/780253669.db2.gz IXLCSHUXZIFLOU-ZJUUUORDSA-N 0 3 293.389 -1.551 20 0 CAADHN CCCN1C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001219735095 780253769 /nfs/dbraw/zinc/25/37/69/780253769.db2.gz URBHSQOCQSSDOT-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001219733428 780253891 /nfs/dbraw/zinc/25/38/91/780253891.db2.gz NSGGWTOSPZIEHD-ZJUUUORDSA-N 0 3 293.389 -1.505 20 0 CAADHN CCCN1C[C@@H](NC(=O)CNS(=O)(=O)CC)[C@@H](O)C1 ZINC001219733161 780254319 /nfs/dbraw/zinc/25/43/19/780254319.db2.gz BHCMOMSWCVAFKN-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN O=C(NCc1nnc2n1CCCNC2)[C@@H]1COCN1 ZINC001219747449 780256514 /nfs/dbraw/zinc/25/65/14/780256514.db2.gz VQICGBAWXKUYDP-QMMMGPOBSA-N 0 3 266.305 -1.667 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001219744406 780257051 /nfs/dbraw/zinc/25/70/51/780257051.db2.gz DIKPWTHKFDULME-MNOVXSKESA-N 0 3 287.360 -1.291 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001219742506 780257146 /nfs/dbraw/zinc/25/71/46/780257146.db2.gz HWKVJUVRLCGVNS-MNOVXSKESA-N 0 3 287.360 -1.339 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001219742667 780257340 /nfs/dbraw/zinc/25/73/40/780257340.db2.gz NJBCDHGNWJCGCX-NEPJUHHUSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CC[C@@H](C)F)C[C@@H]1O ZINC001219755806 780258134 /nfs/dbraw/zinc/25/81/34/780258134.db2.gz NEWGPMZRJAIROM-BBBLOLIVSA-N 0 3 290.339 -1.175 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CCCOC)C[C@@H]1O ZINC001219753762 780259460 /nfs/dbraw/zinc/25/94/60/780259460.db2.gz JJRPIWWIZBNDDK-ZJUUUORDSA-N 0 3 288.348 -1.887 20 0 CAADHN C[C@H](O)CN1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](O)C1 ZINC001219774044 780260584 /nfs/dbraw/zinc/26/05/84/780260584.db2.gz BDXBOPUAZACSIJ-WCQGTBRESA-N 0 3 282.344 -1.116 20 0 CAADHN C[C@H](O)CN1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@@H](O)C1 ZINC001219774044 780260593 /nfs/dbraw/zinc/26/05/93/780260593.db2.gz BDXBOPUAZACSIJ-WCQGTBRESA-N 0 3 282.344 -1.116 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773180 780260787 /nfs/dbraw/zinc/26/07/87/780260787.db2.gz MVQPWMPXJQRXFJ-VIFPVBQESA-N 0 3 279.348 -1.282 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773180 780260792 /nfs/dbraw/zinc/26/07/92/780260792.db2.gz MVQPWMPXJQRXFJ-VIFPVBQESA-N 0 3 279.348 -1.282 20 0 CAADHN CN(C)C1(C(=O)N[C@@H]2CN(CCO)C[C@@H]2O)CCC1 ZINC001219798659 780260821 /nfs/dbraw/zinc/26/08/21/780260821.db2.gz QCPHMUSNLJIFLL-MNOVXSKESA-N 0 3 271.361 -1.376 20 0 CAADHN CN(C)C1(C(=O)N[C@@H]2CN(CC(N)=O)C[C@@H]2O)CCC1 ZINC001219802614 780262173 /nfs/dbraw/zinc/26/21/73/780262173.db2.gz WSXBABLHXNYGHM-ZJUUUORDSA-N 0 3 284.360 -1.883 20 0 CAADHN O=C(NCc1noc2c1CNCC2)[C@@H]1COCN1 ZINC001219810012 780262739 /nfs/dbraw/zinc/26/27/39/780262739.db2.gz ZHHWXYSYMDKKOZ-VIFPVBQESA-N 0 3 252.274 -1.118 20 0 CAADHN NC1(C(=O)NCc2cc(=O)n3c(n2)CNCCC3)CC1 ZINC001219806468 780262799 /nfs/dbraw/zinc/26/27/99/780262799.db2.gz YAEJCXMSNYJYNV-UHFFFAOYSA-N 0 3 277.328 -1.156 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831411 780264012 /nfs/dbraw/zinc/26/40/12/780264012.db2.gz JWDNZZSJZGQIIX-HXFLIBJXSA-N 0 3 281.320 -2.437 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831411 780264015 /nfs/dbraw/zinc/26/40/15/780264015.db2.gz JWDNZZSJZGQIIX-HXFLIBJXSA-N 0 3 281.320 -2.437 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)[C@@H](O)C1 ZINC001219839334 780267937 /nfs/dbraw/zinc/26/79/37/780267937.db2.gz LCGSANTVGDEKEI-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CN(CCO)C[C@@H]1O)N(C)C ZINC001219869770 780270893 /nfs/dbraw/zinc/27/08/93/780270893.db2.gz SFJIGMQKMIWGTQ-MXWKQRLJSA-N 0 3 259.350 -1.520 20 0 CAADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H](O)CO ZINC001219865415 780271209 /nfs/dbraw/zinc/27/12/09/780271209.db2.gz NLIPVUFECZSQQH-AEJSXWLSSA-N 0 3 275.349 -1.666 20 0 CAADHN COC(=O)[C@@H](NC(=O)C(N)C(F)(F)F)[C@@H](C)O ZINC001219879677 780271780 /nfs/dbraw/zinc/27/17/80/780271780.db2.gz JOGDTIQNPLIPRN-WISUUJSJSA-N 0 3 258.196 -1.085 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@@H]1COC2(CNC2)CN1)[C@@H](C)O ZINC001219879891 780271933 /nfs/dbraw/zinc/27/19/33/780271933.db2.gz OTGIDHPCKSZFLV-VGMNWLOBSA-N 0 3 287.316 -2.645 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@@H](N)C1CCC(O)CC1)[C@@H](C)O ZINC001219880878 780272823 /nfs/dbraw/zinc/27/28/23/780272823.db2.gz MDEQJIIHUQNTCJ-NRXRVSCLSA-N 0 3 288.344 -1.097 20 0 CAADHN CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219882507 780272995 /nfs/dbraw/zinc/27/29/95/780272995.db2.gz JGMCGJRFTRQPRT-AXFHLTTASA-N 0 3 271.361 -1.160 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@@H](N)CC[S@](C)=O)[C@@H](C)O ZINC001219880833 780273436 /nfs/dbraw/zinc/27/34/36/780273436.db2.gz LBJXHGSBRXXENG-PWOJQVGQSA-N 0 3 280.346 -1.879 20 0 CAADHN CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001219891530 780275783 /nfs/dbraw/zinc/27/57/83/780275783.db2.gz WBZZPEUBSXVMAX-MJVIPROJSA-N 0 3 294.355 -1.946 20 0 CAADHN NC[C@H](N)C(=O)NC[C@H](O)COc1ccccc1 ZINC001219918832 780276729 /nfs/dbraw/zinc/27/67/29/780276729.db2.gz RVSYIILGLDBHER-ONGXEEELSA-N 0 3 253.302 -1.172 20 0 CAADHN O=C(N[C@H]1C=CS(=O)(=O)C1)[C@H]1COC2(CNC2)CN1 ZINC001219945849 780278653 /nfs/dbraw/zinc/27/86/53/780278653.db2.gz VOEHRKSWDCPEIU-DTWKUNHWSA-N 0 3 287.341 -2.256 20 0 CAADHN Cc1cc(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[nH]n1 ZINC001219943673 780278846 /nfs/dbraw/zinc/27/88/46/780278846.db2.gz UJIMYYPHEFUVDU-CBAPKCEASA-N 0 3 296.331 -1.958 20 0 CAADHN Cc1cc(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)n[nH]1 ZINC001219943673 780278852 /nfs/dbraw/zinc/27/88/52/780278852.db2.gz UJIMYYPHEFUVDU-CBAPKCEASA-N 0 3 296.331 -1.958 20 0 CAADHN Cc1cc(CNC(=O)[C@@H]2COC3(CNC3)CN2)[nH]n1 ZINC001219943762 780279083 /nfs/dbraw/zinc/27/90/83/780279083.db2.gz XZFVXNYMPSANTP-JTQLQIEISA-N 0 3 265.317 -1.335 20 0 CAADHN O=C(N[C@H]1C=CS(=O)(=O)C1)[C@@H]1COC2(CNC2)CN1 ZINC001219945850 780279495 /nfs/dbraw/zinc/27/94/95/780279495.db2.gz VOEHRKSWDCPEIU-IUCAKERBSA-N 0 3 287.341 -2.256 20 0 CAADHN O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@H]1COC2(CNC2)CN1 ZINC001219945851 780280529 /nfs/dbraw/zinc/28/05/29/780280529.db2.gz VOEHRKSWDCPEIU-RKDXNWHRSA-N 0 3 287.341 -2.256 20 0 CAADHN Cc1nonc1CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219948101 780280571 /nfs/dbraw/zinc/28/05/71/780280571.db2.gz KTTFKKYDASSFQP-SECBINFHSA-N 0 3 267.289 -1.675 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959362 780281089 /nfs/dbraw/zinc/28/10/89/780281089.db2.gz RSCJHXDSCQGWDC-APPZFPTMSA-N 0 3 251.290 -1.326 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959362 780281095 /nfs/dbraw/zinc/28/10/95/780281095.db2.gz RSCJHXDSCQGWDC-APPZFPTMSA-N 0 3 251.290 -1.326 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959268 780281123 /nfs/dbraw/zinc/28/11/23/780281123.db2.gz OZGRZKXQMPLYLW-JGVFFNPUSA-N 0 3 271.321 -1.843 20 0 CAADHN Cc1c[nH]c(CCNC(=O)[C@@H]2COC3(CNC3)CN2)n1 ZINC001219952310 780281224 /nfs/dbraw/zinc/28/12/24/780281224.db2.gz RZNBYNLUIHWJKE-JTQLQIEISA-N 0 3 279.344 -1.293 20 0 CAADHN O=C(NC[C@H]1CCC(=O)N1)[C@@H]1COC2(CNC2)CN1 ZINC001219959048 780281420 /nfs/dbraw/zinc/28/14/20/780281420.db2.gz GMWARTZGFUWMFI-BDAKNGLRSA-N 0 3 268.317 -2.288 20 0 CAADHN Cc1nonc1CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001219948579 780281721 /nfs/dbraw/zinc/28/17/21/780281721.db2.gz YXAVZRSQTQKMJW-FSPLSTOPSA-N 0 3 298.303 -2.298 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219960963 780282267 /nfs/dbraw/zinc/28/22/67/780282267.db2.gz CWNVNCCLJFVOPJ-QMMMGPOBSA-N 0 3 292.361 -3.018 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC[S@](C)=O)CN1 ZINC001219965419 780282557 /nfs/dbraw/zinc/28/25/57/780282557.db2.gz MWDWZTRUQBCTMS-FKOSXZIQSA-N 0 3 291.373 -1.898 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219960962 780282573 /nfs/dbraw/zinc/28/25/73/780282573.db2.gz CWNVNCCLJFVOPJ-MRVPVSSYSA-N 0 3 292.361 -3.018 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)Cc2c[nH]cn2)CN1 ZINC001219965533 780282731 /nfs/dbraw/zinc/28/27/31/780282731.db2.gz RAOQKFOMTVQDTP-UTLUCORTSA-N 0 3 281.316 -1.701 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H]2COC3(CNC3)CN2)CN1 ZINC001219965589 780283074 /nfs/dbraw/zinc/28/30/74/780283074.db2.gz SWDATRPPRKJASF-KXUCPTDWSA-N 0 3 298.343 -2.664 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2COC3(CNC3)CN2)CN1 ZINC001219965590 780283506 /nfs/dbraw/zinc/28/35/06/780283506.db2.gz SWDATRPPRKJASF-UTLUCORTSA-N 0 3 298.343 -2.664 20 0 CAADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCON ZINC001219969627 780283967 /nfs/dbraw/zinc/28/39/67/780283967.db2.gz HCCHFJNAPJQNLC-IUCAKERBSA-N 0 3 260.338 -1.129 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001219969570 780284144 /nfs/dbraw/zinc/28/41/44/780284144.db2.gz FMMRQUIBASPWHE-YIZRAAEISA-N 0 3 254.290 -1.805 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219967913 780285157 /nfs/dbraw/zinc/28/51/57/780285157.db2.gz OIMZGZLUDRQPIB-RKDXNWHRSA-N 0 3 298.347 -1.610 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001219970210 780285712 /nfs/dbraw/zinc/28/57/12/780285712.db2.gz XNEIMYNONGVAHU-VGMNWLOBSA-N 0 3 254.290 -1.663 20 0 CAADHN COC(=O)CNC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001219975928 780285832 /nfs/dbraw/zinc/28/58/32/780285832.db2.gz ZCCPDZUVAOKBJD-YUMQZZPRSA-N 0 3 287.316 -1.414 20 0 CAADHN O=C(CNC(=O)[C@H]1COC2(CNC2)CN1)NC1CCCC1 ZINC001219975124 780285903 /nfs/dbraw/zinc/28/59/03/780285903.db2.gz NZEYQTNOWKPKSS-LLVKDONJSA-N 0 3 296.371 -1.508 20 0 CAADHN N[C@@]1(C(=O)NCCCc2c[n-][nH]c2=O)CCC[NH2+]C1 ZINC001219970012 780286202 /nfs/dbraw/zinc/28/62/02/780286202.db2.gz RSAZOCWJWKLQNR-SKDRFNHKSA-N 0 3 267.333 -1.305 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@H]1[NH2+]CC[C@H]1O ZINC001219970211 780286281 /nfs/dbraw/zinc/28/62/81/780286281.db2.gz XNEIMYNONGVAHU-YIZRAAEISA-N 0 3 254.290 -1.663 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCn1cccc1 ZINC001219969873 780286687 /nfs/dbraw/zinc/28/66/87/780286687.db2.gz PJPWMKYUOCCZFM-UWVGGRQHSA-N 0 3 295.343 -1.688 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969695 780286716 /nfs/dbraw/zinc/28/67/16/780286716.db2.gz IYQLYFXOCCYRHC-OWXODZSWSA-N 0 3 288.373 -1.290 20 0 CAADHN O=C(NCc1ccncn1)[C@@H]1COC2(CNC2)CN1 ZINC001220004810 780288955 /nfs/dbraw/zinc/28/89/55/780288955.db2.gz DXVUZHHGEYFFNL-JTQLQIEISA-N 0 3 263.301 -1.577 20 0 CAADHN CN1C[C@@H](NC(=O)[C@@H](N)CC[S@@](C)=O)CCC1=O ZINC001220006971 780289051 /nfs/dbraw/zinc/28/90/51/780289051.db2.gz GTLYMLQEVIZFRF-VXAXSWHGSA-N 0 3 275.374 -1.181 20 0 CAADHN CN1C[C@H](NC(=O)[C@@H](N)CC[S@@](C)=O)CCC1=O ZINC001220006970 780289301 /nfs/dbraw/zinc/28/93/01/780289301.db2.gz GTLYMLQEVIZFRF-SNFQMMDSSA-N 0 3 275.374 -1.181 20 0 CAADHN O=C(NC[C@@H]1CCOC1)[C@@H]1COC2(CNC2)CN1 ZINC001220020283 780290431 /nfs/dbraw/zinc/29/04/31/780290431.db2.gz CXFLASDHDPTPBO-UWVGGRQHSA-N 0 3 255.318 -1.531 20 0 CAADHN O=C(NC1(CO)CCOCC1)[C@@H]1COC2(CNC2)CN1 ZINC001220018844 780290576 /nfs/dbraw/zinc/29/05/76/780290576.db2.gz WBLIAGAAJSZGAM-JTQLQIEISA-N 0 3 285.344 -2.026 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NC1(CO)CCOCC1 ZINC001220016291 780290774 /nfs/dbraw/zinc/29/07/74/780290774.db2.gz JSIFTNGTJNUIAF-SNVBAGLBSA-N 0 3 268.317 -1.063 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC1(CO)CCOCC1 ZINC001220016291 780290783 /nfs/dbraw/zinc/29/07/83/780290783.db2.gz JSIFTNGTJNUIAF-SNVBAGLBSA-N 0 3 268.317 -1.063 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC1(CO)CCOCC1 ZINC001220018461 780290839 /nfs/dbraw/zinc/29/08/39/780290839.db2.gz DXUYYDZEAVGMTG-YYSFKGJASA-N 0 3 278.374 -1.260 20 0 CAADHN O=C(NC[C@@H]1CCOC1)[C@H]1COC2(CNC2)CN1 ZINC001220020284 780291134 /nfs/dbraw/zinc/29/11/34/780291134.db2.gz CXFLASDHDPTPBO-VHSXEESVSA-N 0 3 255.318 -1.531 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCc1cccnn1 ZINC001220018829 780291257 /nfs/dbraw/zinc/29/12/57/780291257.db2.gz VGBSDVREVYRGAG-SECBINFHSA-N 0 3 266.305 -1.131 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC1(CO)CCOCC1 ZINC001220016837 780291773 /nfs/dbraw/zinc/29/17/73/780291773.db2.gz RHSRPALJWJWOCM-NSHDSACASA-N 0 3 282.344 -1.052 20 0 CAADHN O=C(NC[C@H]1CCOC1)[C@@H]1COC2(CNC2)CN1 ZINC001220020285 780292129 /nfs/dbraw/zinc/29/21/29/780292129.db2.gz CXFLASDHDPTPBO-ZJUUUORDSA-N 0 3 255.318 -1.531 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N[C@@H]2CCC(=O)NC2=O)C1=O ZINC001220028488 780294251 /nfs/dbraw/zinc/29/42/51/780294251.db2.gz URKADVOKPMWINW-DTWKUNHWSA-N 0 3 296.327 -1.752 20 0 CAADHN O=C(N[C@@H]1CO[N-]C1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220027902 780294425 /nfs/dbraw/zinc/29/44/25/780294425.db2.gz FQVOUUATGQFFEH-SOCHQFKDSA-N 0 3 254.290 -2.268 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220028495 780294581 /nfs/dbraw/zinc/29/45/81/780294581.db2.gz UTXHDGXMDGFCJO-YUMQZZPRSA-N 0 3 265.273 -1.799 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCC(=O)NC1=O ZINC001220028494 780294616 /nfs/dbraw/zinc/29/46/16/780294616.db2.gz UTXHDGXMDGFCJO-SFYZADRCSA-N 0 3 265.273 -1.799 20 0 CAADHN N[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)C1CCC(O)CC1 ZINC001220028372 780294665 /nfs/dbraw/zinc/29/46/65/780294665.db2.gz QJEZVALYRAEHLW-CKQMPDBCSA-N 0 3 283.328 -1.214 20 0 CAADHN O=C(NCc1ccc[nH]1)[C@H]1COC2(CNC2)CN1 ZINC001220031057 780295577 /nfs/dbraw/zinc/29/55/77/780295577.db2.gz QUIXAYCTSKICRS-SNVBAGLBSA-N 0 3 250.302 -1.039 20 0 CAADHN CCOC(=O)C(=CNC(=O)[C@@H](N)CN)C(=O)OCC ZINC001220041188 780296431 /nfs/dbraw/zinc/29/64/31/780296431.db2.gz BUXBSYREPKVVPS-QMMMGPOBSA-N 0 3 273.289 -1.601 20 0 CAADHN O=C(NCc1ccc[nH]1)[C@@H]1COC2(CNC2)CN1 ZINC001220031056 780296532 /nfs/dbraw/zinc/29/65/32/780296532.db2.gz QUIXAYCTSKICRS-JTQLQIEISA-N 0 3 250.302 -1.039 20 0 CAADHN CCCN1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001220066744 780299185 /nfs/dbraw/zinc/29/91/85/780299185.db2.gz XDCNJOSFJOEWGZ-MNOVXSKESA-N 0 3 297.359 -1.457 20 0 CAADHN NC[C@H](N)C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1 ZINC001220066104 780299270 /nfs/dbraw/zinc/29/92/70/780299270.db2.gz QCZYWJRXNUXVEG-LURJTMIESA-N 0 3 253.262 -1.492 20 0 CAADHN O=C(NCCc1cc[nH]n1)[C@@H]1COC2(CNC2)CN1 ZINC001220062347 780299413 /nfs/dbraw/zinc/29/94/13/780299413.db2.gz VRKYATFTLDFDPY-JTQLQIEISA-N 0 3 265.317 -1.601 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1O ZINC001220099704 780303038 /nfs/dbraw/zinc/30/30/38/780303038.db2.gz YQJITBDCTUFRNL-HLTSFMKQSA-N 0 3 258.322 -1.208 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC(CO)(CO)CO ZINC001220107839 780304078 /nfs/dbraw/zinc/30/40/78/780304078.db2.gz BVRHGMNPZXNELH-SKLCBMLGSA-N 0 3 268.335 -3.086 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC(CO)(CO)CO ZINC001220107838 780303877 /nfs/dbraw/zinc/30/38/77/780303877.db2.gz BVRHGMNPZXNELH-BWKAKNAASA-N 0 3 268.335 -3.086 20 0 CAADHN COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220104346 780304393 /nfs/dbraw/zinc/30/43/93/780304393.db2.gz CUWYONMSMMYPOW-IUCAKERBSA-N 0 3 289.332 -1.035 20 0 CAADHN COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220104544 780304593 /nfs/dbraw/zinc/30/45/93/780304593.db2.gz HZHRRGMUORUAKB-BDAKNGLRSA-N 0 3 299.327 -1.682 20 0 CAADHN CN[C@H](C(=O)NC(CO)(CO)CO)[C@@H](C)OC(C)(C)C ZINC001220108605 780305711 /nfs/dbraw/zinc/30/57/11/780305711.db2.gz XTTHRWCVUIDSOU-ZJUUUORDSA-N 0 3 292.376 -1.390 20 0 CAADHN NC(=O)[C@H](CO)NC(=O)[C@@H](N)C1CCC(O)CC1 ZINC001220329100 780338358 /nfs/dbraw/zinc/33/83/58/780338358.db2.gz GMGXGOWXDYIVFD-PEBLOWIWSA-N 0 3 259.306 -2.173 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H](C)CC(N)=O)[C@@H](O)C1 ZINC001220136593 780307610 /nfs/dbraw/zinc/30/76/10/780307610.db2.gz ZMHWRGLLXAFZHA-AXFHLTTASA-N 0 3 287.360 -1.304 20 0 CAADHN COCCCN1C[C@@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001220132834 780308487 /nfs/dbraw/zinc/30/84/87/780308487.db2.gz VIWXQKNVYMNIHZ-KOLCDFICSA-N 0 3 298.343 -1.063 20 0 CAADHN CO[C@@H]1COCC[C@H]1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220141081 780309932 /nfs/dbraw/zinc/30/99/32/780309932.db2.gz FWKZOQDPHUCJBK-GMTAPVOTSA-N 0 3 285.344 -1.763 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143468 780311312 /nfs/dbraw/zinc/31/13/12/780311312.db2.gz JHZHAISIHLPTQU-JTQLQIEISA-N 0 3 298.368 -1.027 20 0 CAADHN O=C(NC1CC2(C1)CS(=O)(=O)C2)[C@@H]1CNCCN1 ZINC001220143299 780311325 /nfs/dbraw/zinc/31/13/25/780311325.db2.gz BEVTZDJJYZELHD-VIFPVBQESA-N 0 3 273.358 -1.759 20 0 CAADHN CS(=O)(=O)N1CC(NC(=O)[C@@H](N)CC(F)F)C1 ZINC001220145696 780311355 /nfs/dbraw/zinc/31/13/55/780311355.db2.gz MSBISFLGJKJROG-LURJTMIESA-N 0 3 271.289 -1.271 20 0 CAADHN CS(=O)(=O)N1CC(NC(=O)C(N)C(F)(F)F)C1 ZINC001220145389 780311463 /nfs/dbraw/zinc/31/14/63/780311463.db2.gz AMORZDKURUETSB-YFKPBYRVSA-N 0 3 275.252 -1.364 20 0 CAADHN C[C@@]1(O)C[C@H](NC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001220149749 780312160 /nfs/dbraw/zinc/31/21/60/780312160.db2.gz AXLQOVYSJDUNEW-KKZNHRDASA-N 0 3 255.318 -1.654 20 0 CAADHN O=C(NC1CC(CO)(CO)C1)[C@@H]1COC2(CNC2)CN1 ZINC001220152034 780312594 /nfs/dbraw/zinc/31/25/94/780312594.db2.gz QURZIOUYAWVILY-JTQLQIEISA-N 0 3 285.344 -2.434 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC1CN(S(C)(=O)=O)C1 ZINC001220146026 780312733 /nfs/dbraw/zinc/31/27/33/780312733.db2.gz ZWJRGNOKVJGMJU-QPFGOUBPSA-N 0 3 297.402 -2.158 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H](O)C1 ZINC001220156951 780313555 /nfs/dbraw/zinc/31/35/55/780313555.db2.gz RHKVIZAPIPMKPD-XAMCCFCMSA-N 0 3 272.305 -2.667 20 0 CAADHN N=C(NC(=O)[C@@H]1COC2(CNC2)CN1)c1ccc(F)cn1 ZINC001220170286 780313707 /nfs/dbraw/zinc/31/37/07/780313707.db2.gz GNGUOXBCHQSYBH-JTQLQIEISA-N 0 3 293.302 -1.007 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@H]1CCCN(C)C1 ZINC001220159045 780314368 /nfs/dbraw/zinc/31/43/68/780314368.db2.gz LRJFLLWACFIWDB-GUBZILKMSA-N 0 3 272.349 -1.979 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC1(CCO)COC1 ZINC001220173776 780315993 /nfs/dbraw/zinc/31/59/93/780315993.db2.gz SXEUXLJQXQFTAI-ONGXEEELSA-N 0 3 287.360 -1.256 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001220174313 780316210 /nfs/dbraw/zinc/31/62/10/780316210.db2.gz IITKLSLMKMTIQG-UTUOFQBUSA-N 0 3 299.371 -1.338 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC(=N)c1ncc[nH]1 ZINC001220181084 780316929 /nfs/dbraw/zinc/31/69/29/780316929.db2.gz AIRIHSIGYQNNKY-HQRLLJBISA-N 0 3 257.319 -1.053 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181277 780316943 /nfs/dbraw/zinc/31/69/43/780316943.db2.gz HLGHGVRMAQJXDV-VGMNWLOBSA-N 0 3 274.321 -1.972 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC1CC(=O)C1 ZINC001220179661 780317048 /nfs/dbraw/zinc/31/70/48/780317048.db2.gz PSUPSYRKGCEJNM-RCOVLWMOSA-N 0 3 284.316 -2.211 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181179 780317059 /nfs/dbraw/zinc/31/70/59/780317059.db2.gz CVZPHSQGPGRRAT-DCAQKATOSA-N 0 3 268.317 -1.444 20 0 CAADHN N=C(NC(=O)[C@H]1COC2(CNC2)CN1)c1ncc[nH]1 ZINC001220181574 780317173 /nfs/dbraw/zinc/31/71/73/780317173.db2.gz URTAJVZSZXEYOQ-SSDOTTSWSA-N 0 3 264.289 -1.818 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1COC2(CNC2)CN1)c1cncnc1 ZINC001220183807 780318595 /nfs/dbraw/zinc/31/85/95/780318595.db2.gz ZILNLCNZZREMGP-KOLCDFICSA-N 0 3 277.328 -1.016 20 0 CAADHN C[C@@H](NC(=O)[C@H]1COC2(CNC2)CN1)c1cncnc1 ZINC001220183808 780318651 /nfs/dbraw/zinc/31/86/51/780318651.db2.gz ZILNLCNZZREMGP-MWLCHTKSSA-N 0 3 277.328 -1.016 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202397 780319011 /nfs/dbraw/zinc/31/90/11/780319011.db2.gz CGGUGBVZZFRVNF-GBHNPRDJSA-N 0 3 261.347 -1.665 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220192016 780319081 /nfs/dbraw/zinc/31/90/81/780319081.db2.gz WSZQJJYKFYFJAO-MAUMQABQSA-N 0 3 286.332 -2.419 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC[C@H]1COCCN1 ZINC001220429409 780348636 /nfs/dbraw/zinc/34/86/36/780348636.db2.gz RBMICCSTNZRHME-IRWWLHRVSA-N 0 3 263.363 -1.813 20 0 CAADHN O=C(NC[C@H]1CNC(=O)C1)[C@H]1COC2(CNC2)CN1 ZINC001220202891 780320386 /nfs/dbraw/zinc/32/03/86/780320386.db2.gz OGMGPKCQBVJDAW-RKDXNWHRSA-N 0 3 268.317 -2.431 20 0 CAADHN O=C(NC[C@@H]1CNC(=O)C1)[C@H]1COC2(CNC2)CN1 ZINC001220202889 780320463 /nfs/dbraw/zinc/32/04/63/780320463.db2.gz OGMGPKCQBVJDAW-DTWKUNHWSA-N 0 3 268.317 -2.431 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202769 780320575 /nfs/dbraw/zinc/32/05/75/780320575.db2.gz JZDWIPMCMPFZBP-VXNVDRBHSA-N 0 3 251.290 -1.468 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202769 780320579 /nfs/dbraw/zinc/32/05/79/780320579.db2.gz JZDWIPMCMPFZBP-VXNVDRBHSA-N 0 3 251.290 -1.468 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236825 780322976 /nfs/dbraw/zinc/32/29/76/780322976.db2.gz GVWLUKTWIDTANO-BBBLOLIVSA-N 0 3 286.332 -2.134 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001220236824 780323273 /nfs/dbraw/zinc/32/32/73/780323273.db2.gz GVWLUKTWIDTANO-AEJSXWLSSA-N 0 3 286.332 -2.134 20 0 CAADHN N[C@@H](C(=O)NCS(=O)(=O)[O-])C1CC[NH2+]CC1 ZINC001220241303 780323452 /nfs/dbraw/zinc/32/34/52/780323452.db2.gz WUPQSNYMYYTIIE-SSDOTTSWSA-N 0 3 251.308 -1.725 20 0 CAADHN CCCNC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001220234810 780323986 /nfs/dbraw/zinc/32/39/86/780323986.db2.gz QHZZASHBTBVMFN-JGVFFNPUSA-N 0 3 258.322 -1.390 20 0 CAADHN O=C(NCCc1cnccn1)[C@@H]1COC2(CNC2)CN1 ZINC001220242452 780323813 /nfs/dbraw/zinc/32/38/13/780323813.db2.gz ACQDNRRVBSAGQZ-NSHDSACASA-N 0 3 277.328 -1.534 20 0 CAADHN CN1C[C@H](CNC(=O)[C@@H](N)Cc2c[nH]cn2)CC1=O ZINC001220245077 780324949 /nfs/dbraw/zinc/32/49/49/780324949.db2.gz FKTNHRIHEDMQFP-WPRPVWTQSA-N 0 3 265.317 -1.126 20 0 CAADHN CN1C[C@H](CNC(=O)[C@@H](N)Cc2cnc[nH]2)CC1=O ZINC001220245077 780324961 /nfs/dbraw/zinc/32/49/61/780324961.db2.gz FKTNHRIHEDMQFP-WPRPVWTQSA-N 0 3 265.317 -1.126 20 0 CAADHN CN1C[C@@H](CNC(=O)[C@H](N)CCCNC(N)=O)CC1=O ZINC001220245855 780325556 /nfs/dbraw/zinc/32/55/56/780325556.db2.gz WMLVMKHAOXLOIK-RKDXNWHRSA-N 0 3 285.348 -1.643 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220245788 780325657 /nfs/dbraw/zinc/32/56/57/780325657.db2.gz HYPVXVSEKSMMIF-BDAKNGLRSA-N 0 3 255.318 -1.178 20 0 CAADHN CCCN1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001220249724 780326258 /nfs/dbraw/zinc/32/62/58/780326258.db2.gz YGGQUNWAQBJVNZ-ZJUUUORDSA-N 0 3 293.389 -1.374 20 0 CAADHN CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NCc1nc[nH]n1 ZINC001220250363 780326622 /nfs/dbraw/zinc/32/66/22/780326622.db2.gz YUJGYHGCKBTBRF-QMMMGPOBSA-N 0 3 298.347 -1.321 20 0 CAADHN CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NCc1nnc[nH]1 ZINC001220250363 780326628 /nfs/dbraw/zinc/32/66/28/780326628.db2.gz YUJGYHGCKBTBRF-QMMMGPOBSA-N 0 3 298.347 -1.321 20 0 CAADHN N[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)C1CC[NH2+]CC1 ZINC001220251797 780326763 /nfs/dbraw/zinc/32/67/63/780326763.db2.gz FWYXWDUNWYYTHI-MRVPVSSYSA-N 0 3 254.294 -1.547 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCc1nc[nH]n1 ZINC001220250163 780326942 /nfs/dbraw/zinc/32/69/42/780326942.db2.gz QDFCSJBADKFNFU-WDSKDSINSA-N 0 3 256.266 -2.755 20 0 CAADHN N[C@@H](CSCC[NH3+])C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001220251831 780327183 /nfs/dbraw/zinc/32/71/83/780327183.db2.gz HATJOHGWMDRKTL-YFKPBYRVSA-N 0 3 260.323 -1.854 20 0 CAADHN O=C(NCc1n[nH]c(=O)[n-]1)[C@H]1C[NH2+]CC12CNC2 ZINC001220251662 780327208 /nfs/dbraw/zinc/32/72/08/780327208.db2.gz AXDJQAWYZACMAK-ZCFIWIBFSA-N 0 3 252.278 -2.065 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220257789 780327368 /nfs/dbraw/zinc/32/73/68/780327368.db2.gz OYBJBOSXHHZQTD-MNOVXSKESA-N 0 3 299.371 -1.160 20 0 CAADHN O=C(NCc1nnc[n-]1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220250034 780327408 /nfs/dbraw/zinc/32/74/08/780327408.db2.gz LHEXNKBUTJBPMI-SSDOTTSWSA-N 0 3 252.278 -2.249 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261282 780328307 /nfs/dbraw/zinc/32/83/07/780328307.db2.gz WWNNOEMKFMHLSK-VIFPVBQESA-N 0 3 276.304 -1.544 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N(CC[NH3+])c1cccnc1 ZINC001220261282 780328313 /nfs/dbraw/zinc/32/83/13/780328313.db2.gz WWNNOEMKFMHLSK-VIFPVBQESA-N 0 3 276.304 -1.544 20 0 CAADHN CC1(C)OCC(NC(=O)[C@@H]2COC3(CNC3)CN2)CO1 ZINC001220270805 780328364 /nfs/dbraw/zinc/32/83/64/780328364.db2.gz GYILNFWNFKFIHK-JTQLQIEISA-N 0 3 285.344 -1.416 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCC(N)=O ZINC001220277052 780329685 /nfs/dbraw/zinc/32/96/85/780329685.db2.gz XZJJHPWMCJXQFS-XVKPBYJWSA-N 0 3 258.322 -1.532 20 0 CAADHN Cn1cc(CCNC(=O)[C@H](N)CCCNC(N)=O)cn1 ZINC001220277023 780330490 /nfs/dbraw/zinc/33/04/90/780330490.db2.gz XQSORHKMVWDOCC-SNVBAGLBSA-N 0 3 282.348 -1.145 20 0 CAADHN O=C(N[C@H]1COC(=O)C1)[C@@H]1COC2(CNC2)CN1 ZINC001220296798 780331176 /nfs/dbraw/zinc/33/11/76/780331176.db2.gz XSHPOQWQELCUCB-SFYZADRCSA-N 0 3 255.274 -2.252 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1COC(=O)C1 ZINC001220295919 780331321 /nfs/dbraw/zinc/33/13/21/780331321.db2.gz ATZXCMGHRBRHLS-RNSXUZJQSA-N 0 3 271.317 -1.092 20 0 CAADHN CC(=O)OC[C@H](N)C(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220291269 780331373 /nfs/dbraw/zinc/33/13/73/780331373.db2.gz QDQSBSLJAWFADG-ZJUUUORDSA-N 0 3 270.289 -1.680 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCC1OCCO1 ZINC001220288692 780331776 /nfs/dbraw/zinc/33/17/76/780331776.db2.gz FYMMLEVWSOFVNE-SSDOTTSWSA-N 0 3 260.294 -1.749 20 0 CAADHN O=C(C[C@H]1COCCN1)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220290842 780331859 /nfs/dbraw/zinc/33/18/59/780331859.db2.gz FWEBUYFFQYPJBW-MNOVXSKESA-N 0 3 268.317 -1.192 20 0 CAADHN O=C(C[C@H]1COCCN1)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220290842 780331865 /nfs/dbraw/zinc/33/18/65/780331865.db2.gz FWEBUYFFQYPJBW-MNOVXSKESA-N 0 3 268.317 -1.192 20 0 CAADHN O=C(N[C@H]1COC(=O)C1)[C@H]1COC2(CNC2)CN1 ZINC001220296797 780332449 /nfs/dbraw/zinc/33/24/49/780332449.db2.gz XSHPOQWQELCUCB-HTQZYQBOSA-N 0 3 255.274 -2.252 20 0 CAADHN C[C@H](NC(=O)[C@@H]1COC2(CNC2)CN1)c1cnn(C)c1 ZINC001220308464 780334185 /nfs/dbraw/zinc/33/41/85/780334185.db2.gz LEMHOBODPRHOGE-ONGXEEELSA-N 0 3 279.344 -1.072 20 0 CAADHN O=C(NC[C@@H]1CNC(=O)CO1)[C@@H]1C[C@@H](F)CCN1 ZINC001220315904 780334653 /nfs/dbraw/zinc/33/46/53/780334653.db2.gz KDBAOOQBYPKNNH-CIUDSAMLSA-N 0 3 259.281 -1.292 20 0 CAADHN N[C@H](C(=O)NC[C@@H]1CNC(=O)CO1)C1CCC(O)CC1 ZINC001220315598 780334691 /nfs/dbraw/zinc/33/46/91/780334691.db2.gz FWSXQLNJBZSIEX-GZJRGEOXSA-N 0 3 285.344 -1.504 20 0 CAADHN N[C@@H](CC(F)F)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316241 780335077 /nfs/dbraw/zinc/33/50/77/780335077.db2.gz NIQXZHNPWCULRC-RITPCOANSA-N 0 3 251.233 -1.400 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316072 780335250 /nfs/dbraw/zinc/33/52/50/780335250.db2.gz LWRYNORIZZDAOL-VDDIYKPWSA-N 0 3 295.347 -1.903 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316072 780335258 /nfs/dbraw/zinc/33/52/58/780335258.db2.gz LWRYNORIZZDAOL-VDDIYKPWSA-N 0 3 295.347 -1.903 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220315713 780335601 /nfs/dbraw/zinc/33/56/01/780335601.db2.gz HMJQXMWFRNRGRM-HTQZYQBOSA-N 0 3 287.320 -2.607 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316001 780335609 /nfs/dbraw/zinc/33/56/09/780335609.db2.gz LJDIDICJCOKOCJ-MPSDLYAZSA-N 0 3 277.346 -2.287 20 0 CAADHN NC(C(=O)NC[C@@H]1CNC(=O)CO1)C(F)(F)F ZINC001220315988 780335624 /nfs/dbraw/zinc/33/56/24/780335624.db2.gz LFGNVYXAGKFCHV-NJGYIYPDSA-N 0 3 255.196 -1.493 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316063 780335676 /nfs/dbraw/zinc/33/56/76/780335676.db2.gz LWRYNORIZZDAOL-AUTRQRHGSA-N 0 3 295.347 -1.903 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220316063 780335680 /nfs/dbraw/zinc/33/56/80/780335680.db2.gz LWRYNORIZZDAOL-AUTRQRHGSA-N 0 3 295.347 -1.903 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)[C@@H]1CNCCN1 ZINC001220576417 780367313 /nfs/dbraw/zinc/36/73/13/780367313.db2.gz ZNPMUYAJWASNFC-ZETCQYMHSA-N 0 3 258.278 -3.047 20 0 CAADHN NC(=O)[C@H](CO)NC(=O)CN1CCCC[C@H](N)C1=O ZINC001220328990 780337419 /nfs/dbraw/zinc/33/74/19/780337419.db2.gz GLKBFQHUWZZZOX-YUMQZZPRSA-N 0 3 272.305 -2.711 20 0 CAADHN Cc1cc(NC(=O)[C@H]2COC3(CNC3)CN2)n(N)c(=O)c1 ZINC001220323236 780337991 /nfs/dbraw/zinc/33/79/91/780337991.db2.gz DQQBUXXMHAMBNS-SECBINFHSA-N 0 3 293.327 -1.861 20 0 CAADHN NC(=O)[C@H](CO)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220328733 780338033 /nfs/dbraw/zinc/33/80/33/780338033.db2.gz CMINZDZOZMMJBD-NKWVEPMBSA-N 0 3 258.278 -3.721 20 0 CAADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](CO)C(N)=O ZINC001220329264 780338084 /nfs/dbraw/zinc/33/80/84/780338084.db2.gz KLRDCSBTSPVQQQ-XHNCKOQMSA-N 0 3 288.348 -2.173 20 0 CAADHN CN[C@H](C(=O)N[C@H](CO)C(N)=O)[C@@H](C)OC(C)(C)C ZINC001220329105 780338202 /nfs/dbraw/zinc/33/82/02/780338202.db2.gz GPTZSABZIJWYAG-HLTSFMKQSA-N 0 3 275.349 -1.260 20 0 CAADHN CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N[C@H](CO)C(N)=O ZINC001220329558 780338813 /nfs/dbraw/zinc/33/88/13/780338813.db2.gz SYCOMNOUHORNJA-HTQZYQBOSA-N 0 3 289.332 -1.602 20 0 CAADHN CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N[C@@H](CO)C(N)=O ZINC001220329559 780339488 /nfs/dbraw/zinc/33/94/88/780339488.db2.gz SYCOMNOUHORNJA-SFYZADRCSA-N 0 3 289.332 -1.602 20 0 CAADHN O=C(NCCC1COC1)[C@H]1COC2(CNC2)CN1 ZINC001220341557 780339556 /nfs/dbraw/zinc/33/95/56/780339556.db2.gz ZRAZFGCQZVMSFU-SNVBAGLBSA-N 0 3 255.318 -1.531 20 0 CAADHN CC(C)C[C@H](NC(=O)CN)C(=O)NCc1cn[nH]n1 ZINC001220329408 780339574 /nfs/dbraw/zinc/33/95/74/780339574.db2.gz OUJCKRWATVWDEM-VIFPVBQESA-N 0 3 268.321 -1.090 20 0 CAADHN COc1ccc(CNC(=O)[C@H](N)CCCNC(N)=O)nn1 ZINC001220343159 780339634 /nfs/dbraw/zinc/33/96/34/780339634.db2.gz FRJWJUFZZQTGHL-SECBINFHSA-N 0 3 296.331 -1.123 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001220363609 780340702 /nfs/dbraw/zinc/34/07/02/780340702.db2.gz GKPUBOMYLQEKCB-KXNHARMFSA-N 0 3 299.371 -1.304 20 0 CAADHN COC(=O)c1n[nH]cc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220373102 780340825 /nfs/dbraw/zinc/34/08/25/780340825.db2.gz ADDXWQMLYJJQQS-QMMMGPOBSA-N 0 3 295.299 -1.535 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001220363692 780341568 /nfs/dbraw/zinc/34/15/68/780341568.db2.gz KUOPNTUCWSEYLD-YTWAJWBKSA-N 0 3 285.344 -1.694 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@]2(C)CCNC2=O)[C@@H](O)C1 ZINC001220345435 780341610 /nfs/dbraw/zinc/34/16/10/780341610.db2.gz WGAWZGDATJEOIS-SUNKGSAMSA-N 0 3 299.371 -1.290 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220382272 780342633 /nfs/dbraw/zinc/34/26/33/780342633.db2.gz UHNGLTXSLRGMMG-GHMZBOCLSA-N 0 3 267.333 -1.274 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220382027 780342699 /nfs/dbraw/zinc/34/26/99/780342699.db2.gz PZQBEAUBCJGBOT-AUSHCKSDSA-N 0 3 277.390 -1.471 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220381594 780342792 /nfs/dbraw/zinc/34/27/92/780342792.db2.gz LQROYOLCQLJCLJ-GHMZBOCLSA-N 0 3 284.360 -2.236 20 0 CAADHN O=C(NCC1(O)CCC1)[C@@H]1COC2(CNC2)CN1 ZINC001220383783 780343008 /nfs/dbraw/zinc/34/30/08/780343008.db2.gz CXMNJTZWQUKLFU-VIFPVBQESA-N 0 3 255.318 -1.652 20 0 CAADHN O=C(NCC1(O)CCC1)[C@H]1COC2(CNC2)CN1 ZINC001220383780 780343021 /nfs/dbraw/zinc/34/30/21/780343021.db2.gz CXMNJTZWQUKLFU-SECBINFHSA-N 0 3 255.318 -1.652 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)[C@H](N)CCCNC(N)=O ZINC001220380969 780343208 /nfs/dbraw/zinc/34/32/08/780343208.db2.gz FAGSZXNNXGMOJG-NXEZZACHSA-N 0 3 287.364 -1.791 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc[nH]c1 ZINC001220387972 780343410 /nfs/dbraw/zinc/34/34/10/780343410.db2.gz GGPHAAGNTBVUQY-CBAPKCEASA-N 0 3 281.316 -1.662 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220382030 780343690 /nfs/dbraw/zinc/34/36/90/780343690.db2.gz PZQBEAUBCJGBOT-RAALSFIWSA-N 0 3 277.390 -1.471 20 0 CAADHN Cn1c(=O)cc(NC(=O)[C@@H](N)Cc2c[nH]cn2)[nH]c1=O ZINC001220422616 780346335 /nfs/dbraw/zinc/34/63/35/780346335.db2.gz HCDXPESTFIKQES-ZETCQYMHSA-N 0 3 278.272 -1.283 20 0 CAADHN Cn1c(=O)cc(NC(=O)[C@@H](N)Cc2cnc[nH]2)[nH]c1=O ZINC001220422616 780346338 /nfs/dbraw/zinc/34/63/38/780346338.db2.gz HCDXPESTFIKQES-ZETCQYMHSA-N 0 3 278.272 -1.283 20 0 CAADHN CNC(=O)[C@H](C)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220418099 780346416 /nfs/dbraw/zinc/34/64/16/780346416.db2.gz GPRGSWVRKAEESG-JGVFFNPUSA-N 0 3 256.306 -2.433 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427838 780347826 /nfs/dbraw/zinc/34/78/26/780347826.db2.gz PNYJJYGKFVAGAH-AEJSXWLSSA-N 0 3 293.389 -1.506 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1COCCN1 ZINC001220431839 780348523 /nfs/dbraw/zinc/34/85/23/780348523.db2.gz REHOUZZBWNFGEL-ZJUUUORDSA-N 0 3 270.333 -1.959 20 0 CAADHN CC(C)[C@H](NC(=O)[C@@H]1CNCCN1)C(=O)N1CCOCC1 ZINC001220454298 780349599 /nfs/dbraw/zinc/34/95/99/780349599.db2.gz RYRPPNYCAFPYDQ-RYUDHWBXSA-N 0 3 298.387 -1.453 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481253 780351740 /nfs/dbraw/zinc/35/17/40/780351740.db2.gz AVEXGGYXDMUALV-BBBLOLIVSA-N 0 3 254.290 -1.766 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481253 780351743 /nfs/dbraw/zinc/35/17/43/780351743.db2.gz AVEXGGYXDMUALV-BBBLOLIVSA-N 0 3 254.290 -1.766 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220482065 780352828 /nfs/dbraw/zinc/35/28/28/780352828.db2.gz ZOCBNLZCNBNRHC-FOFDBVRNSA-N 0 3 264.347 -1.964 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481695 780352848 /nfs/dbraw/zinc/35/28/48/780352848.db2.gz NQJGARPBGPCJLW-MXWKQRLJSA-N 0 3 268.317 -1.756 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1C[C@H](O)C[C@@H]1CO ZINC001220481813 780352887 /nfs/dbraw/zinc/35/28/87/780352887.db2.gz SACADUDVAVAZIG-BBBLOLIVSA-N 0 3 271.317 -2.729 20 0 CAADHN N[C@H](C(=O)N1C[C@H](O)C[C@@H]1CO)C1CCC(O)CC1 ZINC001220481893 780353201 /nfs/dbraw/zinc/35/32/01/780353201.db2.gz VKVWBVNOCWKEDF-PHNIEDBHSA-N 0 3 272.345 -1.181 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)CN1CC[NH2+]CC1 ZINC001220491738 780353813 /nfs/dbraw/zinc/35/38/13/780353813.db2.gz CONHKFVPXIKYAP-UHFFFAOYSA-N 0 3 267.333 -1.012 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220493116 780354114 /nfs/dbraw/zinc/35/41/14/780354114.db2.gz WNKFOYCEIAJZGA-RKDXNWHRSA-N 0 3 254.290 -1.337 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220492013 780354161 /nfs/dbraw/zinc/35/41/61/780354161.db2.gz FZLHSNRISDRGKD-JTQLQIEISA-N 0 3 295.343 -1.587 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220493113 780355404 /nfs/dbraw/zinc/35/54/04/780355404.db2.gz WNKFOYCEIAJZGA-BDAKNGLRSA-N 0 3 254.290 -1.337 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220493114 780355447 /nfs/dbraw/zinc/35/54/47/780355447.db2.gz WNKFOYCEIAJZGA-DTWKUNHWSA-N 0 3 254.290 -1.337 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220492014 780355934 /nfs/dbraw/zinc/35/59/34/780355934.db2.gz FZLHSNRISDRGKD-SNVBAGLBSA-N 0 3 295.343 -1.587 20 0 CAADHN COC(C)(CNC(=O)[C@H]1COC2(CNC2)CN1)OC ZINC001220509185 780356254 /nfs/dbraw/zinc/35/62/54/780356254.db2.gz NYMMVEJQRDQITA-SECBINFHSA-N 0 3 273.333 -1.558 20 0 CAADHN COC(C)(CNC(=O)[C@@H]1COC2(CNC2)CN1)OC ZINC001220509186 780357834 /nfs/dbraw/zinc/35/78/34/780357834.db2.gz NYMMVEJQRDQITA-VIFPVBQESA-N 0 3 273.333 -1.558 20 0 CAADHN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001220520022 780359551 /nfs/dbraw/zinc/35/95/51/780359551.db2.gz KPCAJKSCLMKOGX-JLLWLGSASA-N 0 3 282.344 -1.258 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NCCOCCOCC[NH3+] ZINC001220519319 780360017 /nfs/dbraw/zinc/36/00/17/780360017.db2.gz JTJJKULAQKZYNS-QMMMGPOBSA-N 0 3 287.324 -2.822 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NCCOCCOCC[NH3+] ZINC001220519319 780360024 /nfs/dbraw/zinc/36/00/24/780360024.db2.gz JTJJKULAQKZYNS-QMMMGPOBSA-N 0 3 287.324 -2.822 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NCCN1CC2(COC2)C1 ZINC001220571563 780363449 /nfs/dbraw/zinc/36/34/49/780363449.db2.gz UOKFMEULGNZFGP-APBUJDDRSA-N 0 3 289.401 -1.469 20 0 CAADHN CCN1C[C@@H](NC(=O)CCN2CCOCC2)[C@@H](O)C1 ZINC001220553548 780363635 /nfs/dbraw/zinc/36/36/35/780363635.db2.gz KYDKEVCZKVABOY-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCCN1CC2(COC2)C1 ZINC001220570878 780364551 /nfs/dbraw/zinc/36/45/51/780364551.db2.gz CDGRMDOJZPWNRW-SNVBAGLBSA-N 0 3 299.375 -1.789 20 0 CAADHN O=C(NCCN1CC2(COC2)C1)[C@@H]1COC2(CNC2)CN1 ZINC001220571365 780364586 /nfs/dbraw/zinc/36/45/86/780364586.db2.gz PMYXPJCUMXMQTB-NSHDSACASA-N 0 3 296.371 -2.235 20 0 CAADHN O=C(C[C@@H]1COCCN1)NCCN1CC2(COC2)C1 ZINC001220571235 780364698 /nfs/dbraw/zinc/36/46/98/780364698.db2.gz MKGZWVMSQGZLTN-LLVKDONJSA-N 0 3 269.345 -1.187 20 0 CAADHN C[C@@H](O)CCCN1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001220573302 780366257 /nfs/dbraw/zinc/36/62/57/780366257.db2.gz TVXYGKQNYLBZTR-BBBLOLIVSA-N 0 3 283.332 -1.259 20 0 CAADHN CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220583588 780367250 /nfs/dbraw/zinc/36/72/50/780367250.db2.gz PEWDFJIRJRVMBV-ZETCQYMHSA-N 0 3 285.308 -2.580 20 0 CAADHN CCOC(=O)CN(CC[NH3+])C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220583588 780367260 /nfs/dbraw/zinc/36/72/60/780367260.db2.gz PEWDFJIRJRVMBV-ZETCQYMHSA-N 0 3 285.308 -2.580 20 0 CAADHN CN1CCC[C@H](NC(=O)[C@@H]2COC3(CNC3)CN2)C1=O ZINC001220591236 780369756 /nfs/dbraw/zinc/36/97/56/780369756.db2.gz YWRZOWLOCRPOND-UWVGGRQHSA-N 0 3 282.344 -1.946 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001220596715 780370459 /nfs/dbraw/zinc/37/04/59/780370459.db2.gz GNOWEAANGCKKEN-JTQLQIEISA-N 0 3 268.317 -2.336 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001220596636 780370499 /nfs/dbraw/zinc/37/04/99/780370499.db2.gz CCEKBUIVXCQZBZ-SNVBAGLBSA-N 0 3 251.290 -1.374 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@H](N)Cc2cnc[nH]2)C1 ZINC001220596636 780370510 /nfs/dbraw/zinc/37/05/10/780370510.db2.gz CCEKBUIVXCQZBZ-SNVBAGLBSA-N 0 3 251.290 -1.374 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@@H](N)Cc2cncn2C)C1 ZINC001220596922 780370617 /nfs/dbraw/zinc/37/06/17/780370617.db2.gz NMUSNUWXZGJGFD-NSHDSACASA-N 0 3 265.317 -1.363 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220609054 780372252 /nfs/dbraw/zinc/37/22/52/780372252.db2.gz BQDVBEPLDOSHTR-ZJUUUORDSA-N 0 3 268.321 -1.367 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220606321 780372428 /nfs/dbraw/zinc/37/24/28/780372428.db2.gz OPZSESSWZIQFLU-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN O=C(CCn1cnnn1)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001220602396 780372458 /nfs/dbraw/zinc/37/24/58/780372458.db2.gz ZWIGPHBIDFYDSX-MNOVXSKESA-N 0 3 280.332 -1.366 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661565 780373267 /nfs/dbraw/zinc/37/32/67/780373267.db2.gz ZFIOCHJGIQMLSY-MNOVXSKESA-N 0 3 297.359 -1.099 20 0 CAADHN Nc1ncc(CCNC(=O)[C@H]2COC3(CNC3)CN2)s1 ZINC001220703554 780373906 /nfs/dbraw/zinc/37/39/06/780373906.db2.gz AECVHEPTPGKCBV-SECBINFHSA-N 0 3 297.384 -1.286 20 0 CAADHN NC[C@H](N)C(=O)NCCOc1ccccc1C(N)=O ZINC001220718491 780376152 /nfs/dbraw/zinc/37/61/52/780376152.db2.gz AVMDGFOPVCNWLP-VIFPVBQESA-N 0 3 266.301 -1.434 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220725770 780376432 /nfs/dbraw/zinc/37/64/32/780376432.db2.gz XXWMYDVVVRXUOT-RYUDHWBXSA-N 0 3 298.387 -1.846 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220725768 780376993 /nfs/dbraw/zinc/37/69/93/780376993.db2.gz XXWMYDVVVRXUOT-NEPJUHHUSA-N 0 3 298.387 -1.846 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220725081 780377202 /nfs/dbraw/zinc/37/72/02/780377202.db2.gz MEAICSBRWCODII-FDMGOTLNSA-N 0 3 291.417 -1.081 20 0 CAADHN CC(=O)NC[C@H](C)CNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220756723 780378109 /nfs/dbraw/zinc/37/81/09/780378109.db2.gz INARMQCLSAEUNK-HDESESHFSA-N 0 3 277.390 -1.029 20 0 CAADHN CC(=O)NC[C@@H](C)CNC(=O)[C@H](N)CCCNC(N)=O ZINC001220756739 780378542 /nfs/dbraw/zinc/37/85/42/780378542.db2.gz JCARDWQNNSZLEJ-PSASIEDQSA-N 0 3 287.364 -1.349 20 0 CAADHN CC(=O)NC[C@H](C)CNC(=O)[C@H](N)CCCNC(N)=O ZINC001220756740 780378680 /nfs/dbraw/zinc/37/86/80/780378680.db2.gz JCARDWQNNSZLEJ-WCBMZHEXSA-N 0 3 287.364 -1.349 20 0 CAADHN CC(=O)NC[C@@H](C)CNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220756721 780378749 /nfs/dbraw/zinc/37/87/49/780378749.db2.gz INARMQCLSAEUNK-FBHDYWMHSA-N 0 3 277.390 -1.029 20 0 CAADHN CC(=O)NC[C@H](C)CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220756965 780378973 /nfs/dbraw/zinc/37/89/73/780378973.db2.gz PACZVEZNIHQWKL-ONGXEEELSA-N 0 3 284.360 -1.795 20 0 CAADHN CC(=O)NC[C@@H](C)CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220756964 780378994 /nfs/dbraw/zinc/37/89/94/780378994.db2.gz PACZVEZNIHQWKL-MWLCHTKSSA-N 0 3 284.360 -1.795 20 0 CAADHN O=C(Cc1nnc[nH]1)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001220726404 780379244 /nfs/dbraw/zinc/37/92/44/780379244.db2.gz WEKSFLAWISAXGF-ZJUUUORDSA-N 0 3 299.331 -2.483 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775498 780380363 /nfs/dbraw/zinc/38/03/63/780380363.db2.gz ZMPGZSRWYAHRLS-AXTRIDKLSA-N 0 3 279.348 -1.010 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775498 780380372 /nfs/dbraw/zinc/38/03/72/780380372.db2.gz ZMPGZSRWYAHRLS-AXTRIDKLSA-N 0 3 279.348 -1.010 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001220830641 780384627 /nfs/dbraw/zinc/38/46/27/780384627.db2.gz GDAFAXAFWBMSJX-MNOVXSKESA-N 0 3 259.350 -1.518 20 0 CAADHN CCOC(=O)C1=C(NC(=O)C2CS(=O)(=O)C2)CNC1 ZINC001220829292 780384921 /nfs/dbraw/zinc/38/49/21/780384921.db2.gz ZJUVDNXDDXQVEM-UHFFFAOYSA-N 0 3 288.325 -1.432 20 0 CAADHN CSCC[C@H](NC(=O)[C@@H]1CNCCN1)C(N)=O ZINC001220839859 780385584 /nfs/dbraw/zinc/38/55/84/780385584.db2.gz FBUWCOJZRHGZNG-YUMQZZPRSA-N 0 3 260.363 -1.729 20 0 CAADHN O=C(NCCO[C@@H]1CCCCO1)[C@H]1COC2(CNC2)CN1 ZINC001220862318 780387396 /nfs/dbraw/zinc/38/73/96/780387396.db2.gz XFWDPMDNFJBIPI-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN CC[C@H](COC)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220863913 780388183 /nfs/dbraw/zinc/38/81/83/780388183.db2.gz KNFCYGDCQAKOAW-ZJUUUORDSA-N 0 3 257.334 -1.142 20 0 CAADHN CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220857836 780388304 /nfs/dbraw/zinc/38/83/04/780388304.db2.gz UOTRPBPVKUGUCA-BQBZGAKWSA-N 0 3 255.326 -1.441 20 0 CAADHN CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220857836 780388314 /nfs/dbraw/zinc/38/83/14/780388314.db2.gz UOTRPBPVKUGUCA-BQBZGAKWSA-N 0 3 255.326 -1.441 20 0 CAADHN CC[C@H](COC)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220863912 780389475 /nfs/dbraw/zinc/38/94/75/780389475.db2.gz KNFCYGDCQAKOAW-NXEZZACHSA-N 0 3 257.334 -1.142 20 0 CAADHN COC(=O)[C@@](C)(NC(=O)[C@@H](N)CN)C(F)(F)F ZINC001221218583 780407542 /nfs/dbraw/zinc/40/75/42/780407542.db2.gz AMODBNAPSXQXKL-MHTLYPKNSA-N 0 3 257.212 -1.117 20 0 CAADHN O=C(C[C@@H]1COCCN1)NCCN1CCNCC1=O ZINC001220874940 780391399 /nfs/dbraw/zinc/39/13/99/780391399.db2.gz RKDMLMGZPCVUCF-SNVBAGLBSA-N 0 3 270.333 -2.087 20 0 CAADHN O=C(Cn1cc(F)c(=O)[n-]c1=O)N[C@@H]1CCC[NH2+]C1 ZINC001220886734 780391976 /nfs/dbraw/zinc/39/19/76/780391976.db2.gz LHXPPLVAJAQRRT-SSDOTTSWSA-N 0 3 270.264 -1.044 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H](N)CCCNC(N)=O ZINC001220881543 780392349 /nfs/dbraw/zinc/39/23/49/780392349.db2.gz MIHRHFYCQJXDQG-IWSPIJDZSA-N 0 3 286.332 -1.313 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220882623 780392781 /nfs/dbraw/zinc/39/27/81/780392781.db2.gz XMFGOLQTEYCLCZ-BBBLOLIVSA-N 0 3 283.328 -1.758 20 0 CAADHN NC[C@H](N)C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001220921108 780393985 /nfs/dbraw/zinc/39/39/85/780393985.db2.gz ZWSCQVUAFWAQDK-MNOVXSKESA-N 0 3 277.328 -1.302 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001220933541 780395853 /nfs/dbraw/zinc/39/58/53/780395853.db2.gz CARFVXDRSQBLLP-BBBLOLIVSA-N 0 3 298.343 -1.456 20 0 CAADHN CCCN1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001220934442 780397574 /nfs/dbraw/zinc/39/75/74/780397574.db2.gz ZLCPCZXHXRNZBO-BBBLOLIVSA-N 0 3 298.343 -1.454 20 0 CAADHN COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](N)CN)CC1 ZINC001221006152 780401095 /nfs/dbraw/zinc/40/10/95/780401095.db2.gz ATBGIVALVRBEKX-GUBZILKMSA-N 0 3 272.349 -1.538 20 0 CAADHN Cc1nnc(CNC(=O)[C@H]2COC3(CNC3)CN2)o1 ZINC001221011202 780401914 /nfs/dbraw/zinc/40/19/14/780401914.db2.gz YKHLCBPIRUVURR-MRVPVSSYSA-N 0 3 267.289 -1.675 20 0 CAADHN Cc1nnc(CNC(=O)[C@@H]2COC3(CNC3)CN2)o1 ZINC001221011203 780402181 /nfs/dbraw/zinc/40/21/81/780402181.db2.gz YKHLCBPIRUVURR-QMMMGPOBSA-N 0 3 267.289 -1.675 20 0 CAADHN COC[C@@H](NC(=O)[C@H]1COC2(CNC2)CN1)C1CC1 ZINC001221012906 780402194 /nfs/dbraw/zinc/40/21/94/780402194.db2.gz DXXNVUIRFDLHCU-GHMZBOCLSA-N 0 3 269.345 -1.142 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCCc1nncs1 ZINC001221013823 780402272 /nfs/dbraw/zinc/40/22/72/780402272.db2.gz YAFFJFXNOLIBOV-SSDOTTSWSA-N 0 3 286.361 -1.027 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CC12CCC2 ZINC001221015899 780402294 /nfs/dbraw/zinc/40/22/94/780402294.db2.gz QOYPUFZSENDHHW-XHNCKOQMSA-N 0 3 282.344 -1.247 20 0 CAADHN COC(=O)CC[C@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(N)=O ZINC001221019325 780403114 /nfs/dbraw/zinc/40/31/14/780403114.db2.gz TVWNOEGUVMLEQM-BDAKNGLRSA-N 0 3 297.315 -1.797 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001221091881 780403318 /nfs/dbraw/zinc/40/33/18/780403318.db2.gz ZDEOBQGZQXQARZ-MNOVXSKESA-N 0 3 259.350 -1.520 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CNC(C)=O)[C@@H]2C1 ZINC001221232306 780407307 /nfs/dbraw/zinc/40/73/07/780407307.db2.gz IQBWPHZFKFTLOT-FRRDWIJNSA-N 0 3 299.371 -1.338 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NC1CN(C2COC2)C1 ZINC001221245909 780408475 /nfs/dbraw/zinc/40/84/75/780408475.db2.gz IEWRNIQPALNTBV-NSHDSACASA-N 0 3 265.317 -1.521 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC1CN(C2COC2)C1 ZINC001221245909 780408480 /nfs/dbraw/zinc/40/84/80/780408480.db2.gz IEWRNIQPALNTBV-NSHDSACASA-N 0 3 265.317 -1.521 20 0 CAADHN N[C@@H](CC(F)F)C(=O)N1CN[C@@H](N)[C@H]2NCN[C@@H]21 ZINC001221266120 780408494 /nfs/dbraw/zinc/40/84/94/780408494.db2.gz SJYXYFIDWVPIPE-MLQRGLMKSA-N 0 3 264.280 -2.512 20 0 CAADHN O=C(N[C@@H]1CCOC[C@@H]1F)[C@@H]1COC2(CNC2)CN1 ZINC001221244434 780408748 /nfs/dbraw/zinc/40/87/48/780408748.db2.gz ZXGCCOACYFOURH-AEJSXWLSSA-N 0 3 273.308 -1.440 20 0 CAADHN O=C(N[C@@H]1CCOC[C@@H]1F)[C@H]1COC2(CNC2)CN1 ZINC001221244435 780408974 /nfs/dbraw/zinc/40/89/74/780408974.db2.gz ZXGCCOACYFOURH-IVZWLZJFSA-N 0 3 273.308 -1.440 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC1CN(C2COC2)C1 ZINC001221246234 780408995 /nfs/dbraw/zinc/40/89/95/780408995.db2.gz UYRMQIXDURATRR-SNVBAGLBSA-N 0 3 285.348 -2.039 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001221266333 780411404 /nfs/dbraw/zinc/41/14/04/780411404.db2.gz VFXWNOMJDDFKMB-XWLWVQCSSA-N 0 3 294.363 -3.191 20 0 CAADHN N[C@@H](Cc1ccsc1)C(=O)N1CN[C@@H](N)[C@@H]2NCN[C@@H]21 ZINC001221266484 780411601 /nfs/dbraw/zinc/41/16/01/780411601.db2.gz WOCFXHAPEGXFAL-UKKRHICBSA-N 0 3 296.400 -1.863 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001221265410 780411764 /nfs/dbraw/zinc/41/17/64/780411764.db2.gz LKUMETUSZPUJRP-DMLMCSCLSA-N 0 3 297.363 -3.545 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001221266334 780411772 /nfs/dbraw/zinc/41/17/72/780411772.db2.gz VFXWNOMJDDFKMB-ZRUFSTJUSA-N 0 3 294.363 -3.191 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001221265409 780411786 /nfs/dbraw/zinc/41/17/86/780411786.db2.gz LKUMETUSZPUJRP-CDEVMZEPSA-N 0 3 297.363 -3.545 20 0 CAADHN N[C@@H](Cc1ccsc1)C(=O)N1CN[C@@H](N)[C@H]2NCN[C@@H]21 ZINC001221266482 780411880 /nfs/dbraw/zinc/41/18/80/780411880.db2.gz WOCFXHAPEGXFAL-LNFKQOIKSA-N 0 3 296.400 -1.863 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001221265408 780411914 /nfs/dbraw/zinc/41/19/14/780411914.db2.gz LKUMETUSZPUJRP-ASXGKARISA-N 0 3 297.363 -3.545 20 0 CAADHN O=C(NC1=CC(=O)NCC1)[C@H]1COC2(CNC2)CN1 ZINC001221316123 780414936 /nfs/dbraw/zinc/41/49/36/780414936.db2.gz GCTREGLOJBCQOG-SECBINFHSA-N 0 3 266.301 -2.163 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001221338885 780415590 /nfs/dbraw/zinc/41/55/90/780415590.db2.gz CIWOHUWHLHNHBW-XAVMHZPKSA-N 0 3 256.306 -1.477 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC1=CCOC1=O ZINC001221333126 780415779 /nfs/dbraw/zinc/41/57/79/780415779.db2.gz UHQHOEBVBDDCGD-QMMMGPOBSA-N 0 3 250.258 -1.153 20 0 CAADHN O=C(NC1=CCOC1=O)[C@H]1COC2(CNC2)CN1 ZINC001221333220 780416151 /nfs/dbraw/zinc/41/61/51/780416151.db2.gz WBRQJBIAFNTYJA-MRVPVSSYSA-N 0 3 253.258 -2.126 20 0 CAADHN COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](N)CN ZINC001221339320 780416214 /nfs/dbraw/zinc/41/62/14/780416214.db2.gz GSVRXZQFQMNCTH-VHSXEESVSA-N 0 3 266.301 -1.432 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CF ZINC001221336458 780416302 /nfs/dbraw/zinc/41/63/02/780416302.db2.gz FRGGCIMSOYILML-ACZMJKKPSA-N 0 3 278.284 -2.860 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@H](O)CF)COC1(C)C ZINC001221339299 780416428 /nfs/dbraw/zinc/41/64/28/780416428.db2.gz YHSNDVIAWWAAPG-YIZRAAEISA-N 0 3 291.323 -1.256 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC[C@@H]2CNC(=O)O2)C1=O ZINC001221369070 780416987 /nfs/dbraw/zinc/41/69/87/780416987.db2.gz JSNGSUJIMUCZRN-BDAKNGLRSA-N 0 3 284.316 -1.449 20 0 CAADHN CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H](N)CCCNC(N)=O ZINC001221367709 780417084 /nfs/dbraw/zinc/41/70/84/780417084.db2.gz AMESHNKXSFPERB-SFYZADRCSA-N 0 3 285.348 -1.597 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221369310 780417384 /nfs/dbraw/zinc/41/73/84/780417384.db2.gz LYEHXJIXMHLZJI-IUCAKERBSA-N 0 3 267.289 -1.486 20 0 CAADHN COC1CC(CNC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001221368373 780417391 /nfs/dbraw/zinc/41/73/91/780417391.db2.gz WLRZPIPFTCHJGO-ILDUYXDCSA-N 0 3 269.345 -1.142 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221367724 780417466 /nfs/dbraw/zinc/41/74/66/780417466.db2.gz BCLWWASPYZUFQV-NKWVEPMBSA-N 0 3 273.293 -2.013 20 0 CAADHN O=C(NC[C@@H]1CNC(=O)O1)[C@H]1COC2(CNC2)CN1 ZINC001221368923 780417806 /nfs/dbraw/zinc/41/78/06/780417806.db2.gz IRISRUXNECVBBO-HTQZYQBOSA-N 0 3 270.289 -2.459 20 0 CAADHN CC1(C)C(=O)NC[C@H]1NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001221370529 780418365 /nfs/dbraw/zinc/41/83/65/780418365.db2.gz SDCUFBHVANCPQA-RKDXNWHRSA-N 0 3 265.317 -1.080 20 0 CAADHN CC1(C)C(=O)NC[C@H]1NC(=O)[C@H](N)Cc1cnc[nH]1 ZINC001221370529 780418375 /nfs/dbraw/zinc/41/83/75/780418375.db2.gz SDCUFBHVANCPQA-RKDXNWHRSA-N 0 3 265.317 -1.080 20 0 CAADHN CC[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001221377190 780418690 /nfs/dbraw/zinc/41/86/90/780418690.db2.gz MSSBRZDDPGDNMN-RNJXMRFFSA-N 0 3 274.321 -2.419 20 0 CAADHN CC[C@H](CO)NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001221378006 780418876 /nfs/dbraw/zinc/41/88/76/780418876.db2.gz SNKMBNAWJBGVRN-DJLDLDEBSA-N 0 3 288.348 -2.029 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370827 780419301 /nfs/dbraw/zinc/41/93/01/780419301.db2.gz UNXALBMNJYVUDM-SFYZADRCSA-N 0 3 253.262 -1.496 20 0 CAADHN CC1(C)C(=O)NC[C@H]1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001221370410 780419215 /nfs/dbraw/zinc/41/92/15/780419215.db2.gz QPUGQBYJPFFEPZ-RKDXNWHRSA-N 0 3 282.344 -2.042 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370827 780419298 /nfs/dbraw/zinc/41/92/98/780419298.db2.gz UNXALBMNJYVUDM-SFYZADRCSA-N 0 3 253.262 -1.496 20 0 CAADHN O=C(NCCOc1ccncc1)[C@H]1COC2(CNC2)CN1 ZINC001221393353 780419894 /nfs/dbraw/zinc/41/98/94/780419894.db2.gz BUKHIGRHTONDQW-GFCCVEGCSA-N 0 3 292.339 -1.093 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@@H]1C1CC1 ZINC001221406601 780420716 /nfs/dbraw/zinc/42/07/16/780420716.db2.gz HJNPLMGFDLFOGV-NORCUCSASA-N 0 3 282.344 -1.392 20 0 CAADHN Cc1nnc(CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[nH]1 ZINC001221410127 780420794 /nfs/dbraw/zinc/42/07/94/780420794.db2.gz XBJDGYNWKLUQKH-FSPLSTOPSA-N 0 3 297.319 -2.563 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H]2CCN(C[C@H](C)O)C[C@H]21 ZINC001221598455 780421737 /nfs/dbraw/zinc/42/17/37/780421737.db2.gz MSTWRSVGALHPTG-HBNTYKKESA-N 0 3 284.360 -1.171 20 0 CAADHN CCN1CC[C@@H]2CN(C(=O)CNC(=O)CNC(C)=O)[C@@H]2C1 ZINC001221654421 780422954 /nfs/dbraw/zinc/42/29/54/780422954.db2.gz JXWBTXCOTGOPQR-VXGBXAGGSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](O)CN1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222003703 780424277 /nfs/dbraw/zinc/42/42/77/780424277.db2.gz DPLXCYBGPUTKFS-GMTAPVOTSA-N 0 3 284.360 -1.042 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CCCC(N)=O)C1 ZINC001222111203 780424725 /nfs/dbraw/zinc/42/47/25/780424725.db2.gz NULJYSRAPPZDTK-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CN1CCC[C@@H](N2CCC(CNC(=O)C(N)=O)CC2)C1=O ZINC001224293303 780432409 /nfs/dbraw/zinc/43/24/09/780432409.db2.gz ISQJBLSQLGUMRG-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)C(=O)NCC1CCN([C@@H]2CCCNC2=O)CC1 ZINC001224294369 780432451 /nfs/dbraw/zinc/43/24/51/780432451.db2.gz ORYQDHNAKACSCV-SNVBAGLBSA-N 0 3 282.344 -1.422 20 0 CAADHN CC[C@H](C(N)=O)N1CCC(CNC(=O)C(N)=O)CC1 ZINC001224312193 780433341 /nfs/dbraw/zinc/43/33/41/780433341.db2.gz LYZMANMBPQCVCO-SECBINFHSA-N 0 3 270.333 -1.436 20 0 CAADHN CC[C@@H](C(N)=O)N1CCC(CNC(=O)C(N)=O)CC1 ZINC001224312195 780433566 /nfs/dbraw/zinc/43/35/66/780433566.db2.gz LYZMANMBPQCVCO-VIFPVBQESA-N 0 3 270.333 -1.436 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(N)=O ZINC001224731968 780435328 /nfs/dbraw/zinc/43/53/28/780435328.db2.gz CZNVSKSCSYMSHB-NXEZZACHSA-N 0 3 299.375 -1.192 20 0 CAADHN NC(=O)NCC(=O)NC1CCN(CCOCCO)CC1 ZINC001225993454 780440339 /nfs/dbraw/zinc/44/03/39/780440339.db2.gz MUIQVQOJDPNRPR-UHFFFAOYSA-N 0 3 288.348 -1.756 20 0 CAADHN O=C(Cn1cnnn1)NC1CCN(CCOCCO)CC1 ZINC001225964621 780441085 /nfs/dbraw/zinc/44/10/85/780441085.db2.gz SFTNYPYLWRXKFH-UHFFFAOYSA-N 0 3 298.347 -1.737 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001225852515 780441154 /nfs/dbraw/zinc/44/11/54/780441154.db2.gz BEQPCBPNAXTXIJ-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001226041915 780442209 /nfs/dbraw/zinc/44/22/09/780442209.db2.gz BYDRSUQQLWBIDD-NXEZZACHSA-N 0 3 299.375 -1.192 20 0 CAADHN O=C(NCC1(N[C@@H]2CCCNC2=O)CC1)[C@@H]1CCNC1=O ZINC001277133221 780443179 /nfs/dbraw/zinc/44/31/79/780443179.db2.gz VUUJQRHJFAOIQZ-NXEZZACHSA-N 0 3 294.355 -1.361 20 0 CAADHN O=C(NCC1(N[C@H]2CCCNC2=O)CC1)[C@H]1CCNC1=O ZINC001277133222 780444118 /nfs/dbraw/zinc/44/41/18/780444118.db2.gz VUUJQRHJFAOIQZ-UWVGGRQHSA-N 0 3 294.355 -1.361 20 0 CAADHN NC(=O)CC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001226732457 780444468 /nfs/dbraw/zinc/44/44/68/780444468.db2.gz RUJMZWOIXDBSKT-UHFFFAOYSA-N 0 3 280.332 -1.266 20 0 CAADHN NC(=O)C(=O)NCC1(NCCN2CCNC2=O)CC1 ZINC001277158244 780444860 /nfs/dbraw/zinc/44/48/60/780444860.db2.gz RBVOFMIOUMDWSU-UHFFFAOYSA-N 0 3 269.305 -2.265 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC1CCN(CCO)CC1 ZINC001227060066 780446443 /nfs/dbraw/zinc/44/64/43/780446443.db2.gz FBQVMNRVXWNQLU-QMMMGPOBSA-N 0 3 258.322 -1.384 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)NC1CCN(CCO)CC1 ZINC001227488565 780447284 /nfs/dbraw/zinc/44/72/84/780447284.db2.gz WPWCDLNEJCPYMZ-JTQLQIEISA-N 0 3 287.360 -1.290 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC1CCN(CCO)CC1 ZINC001227645054 780447532 /nfs/dbraw/zinc/44/75/32/780447532.db2.gz CVMVGFIWYQKXGA-UHFFFAOYSA-N 0 3 293.389 -1.501 20 0 CAADHN CS(=O)(=O)NCCC(=O)NC1CCN(CCO)CC1 ZINC001227645482 780447949 /nfs/dbraw/zinc/44/79/49/780447949.db2.gz OYNAWWFIJVLMCZ-UHFFFAOYSA-N 0 3 293.389 -1.501 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC1CC1 ZINC001228277504 780450513 /nfs/dbraw/zinc/45/05/13/780450513.db2.gz FHAMODGGMQUJPR-NXEZZACHSA-N 0 3 282.344 -1.233 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228278759 780450892 /nfs/dbraw/zinc/45/08/92/780450892.db2.gz UMHCBJWCZYKADV-HTQZYQBOSA-N 0 3 256.306 -1.765 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001228255167 780451017 /nfs/dbraw/zinc/45/10/17/780451017.db2.gz RYDZPTVAESKDDS-BBBLOLIVSA-N 0 3 297.359 -1.569 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001228618461 780451919 /nfs/dbraw/zinc/45/19/19/780451919.db2.gz KEFLCENBDCZBRE-LMLFDSFASA-N 0 3 296.371 -1.129 20 0 CAADHN CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CN(CC(=O)N(C)C)C2 ZINC001277333934 780452015 /nfs/dbraw/zinc/45/20/15/780452015.db2.gz DRQAUBNZRGUFPB-QMTHXVAHSA-N 0 3 296.371 -1.399 20 0 CAADHN CN(C)C(=O)CNC(=O)C12CC(NCC(=O)N(C)C)(C1)C2 ZINC001277334695 780452212 /nfs/dbraw/zinc/45/22/12/780452212.db2.gz YUPQGDONNDVBIX-UHFFFAOYSA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(CCOCCO)CC1 ZINC001229200614 780452716 /nfs/dbraw/zinc/45/27/16/780452716.db2.gz QTEYDHIWHYAFPD-NEPJUHHUSA-N 0 3 299.371 -1.303 20 0 CAADHN NC(=O)C1(C(=O)NC2CCN(CCOCCO)CC2)CC1 ZINC001228953527 780453069 /nfs/dbraw/zinc/45/30/69/780453069.db2.gz IJWJNTKPIGNENQ-UHFFFAOYSA-N 0 3 299.371 -1.159 20 0 CAADHN NC(=O)CN1CCC(NC(=O)CCc2cnn[nH]2)CC1 ZINC001229280157 780453192 /nfs/dbraw/zinc/45/31/92/780453192.db2.gz BLLOGRJIFBXTAQ-UHFFFAOYSA-N 0 3 280.332 -1.197 20 0 CAADHN NS(=O)(=O)CCCC(=O)NC1CCN(CCO)CC1 ZINC001228935062 780453301 /nfs/dbraw/zinc/45/33/01/780453301.db2.gz LFMGZHJLHKEFSF-UHFFFAOYSA-N 0 3 293.389 -1.372 20 0 CAADHN COCCOCCN1CCC(NC(=O)C(N)=O)CC1 ZINC001228904465 780453322 /nfs/dbraw/zinc/45/33/22/780453322.db2.gz HSYMEBGNNQXVIG-UHFFFAOYSA-N 0 3 273.333 -1.285 20 0 CAADHN C[C@H](C(=O)N(C)C)N(C)C1CCN(C(=O)C(N)=O)CC1 ZINC001277423468 780455523 /nfs/dbraw/zinc/45/55/23/780455523.db2.gz PWJPZLUSAWSSOV-SECBINFHSA-N 0 3 284.360 -1.129 20 0 CAADHN Cn1cnnc1COCC(=O)NC1CCN(CCO)CC1 ZINC001229858745 780455850 /nfs/dbraw/zinc/45/58/50/780455850.db2.gz QXFUGFMHNWFTQX-UHFFFAOYSA-N 0 3 297.359 -1.095 20 0 CAADHN CNC(=O)C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000722120144 780485868 /nfs/dbraw/zinc/48/58/68/780485868.db2.gz AHNWKUPFYKFABV-UHFFFAOYSA-N 0 3 261.347 -1.254 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NC1CCN(CCO)CC1 ZINC001230159673 780456651 /nfs/dbraw/zinc/45/66/51/780456651.db2.gz VCNWFORUVAHLJL-UHFFFAOYSA-N 0 3 293.389 -1.549 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)NC1CCN(CCO)CC1 ZINC001230226181 780457025 /nfs/dbraw/zinc/45/70/25/780457025.db2.gz AAPTWWSSNWWZFT-JTQLQIEISA-N 0 3 298.343 -1.453 20 0 CAADHN CNS(=O)(=O)CC(=O)NC1CCN(CCOC)CC1 ZINC001230284918 780457079 /nfs/dbraw/zinc/45/70/79/780457079.db2.gz DMWRDVSVOCNZQL-UHFFFAOYSA-N 0 3 293.389 -1.237 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCNC(=O)CNC(C)=O ZINC001231278079 780464415 /nfs/dbraw/zinc/46/44/15/780464415.db2.gz BCYFZTFHXGDGGQ-JTQLQIEISA-N 0 3 272.349 -1.176 20 0 CAADHN CN(Cc1cn(C)c(=O)n(C)c1=O)C[C@H](O)CO ZINC001231770307 780468457 /nfs/dbraw/zinc/46/84/57/780468457.db2.gz WGAPVFMESIGRMW-VIFPVBQESA-N 0 3 257.290 -2.131 20 0 CAADHN Cn1cc(CN2CC[C@@H](O)[C@](C)(CO)C2)c(=O)n(C)c1=O ZINC001231766637 780468584 /nfs/dbraw/zinc/46/85/84/780468584.db2.gz CCYXXXLVQOPLMN-RISCZKNCSA-N 0 3 297.355 -1.351 20 0 CAADHN Cn1cc(CN2CCOC[C@](C)(O)C2)c(=O)n(C)c1=O ZINC001231767225 780468873 /nfs/dbraw/zinc/46/88/73/780468873.db2.gz RSVVXKDHOCVWLY-CYBMUJFWSA-N 0 3 283.328 -1.333 20 0 CAADHN Cn1cc(CN2CC[C@H](F)[C@H](O)C2)c(=O)n(C)c1=O ZINC001231766752 780469339 /nfs/dbraw/zinc/46/93/39/780469339.db2.gz FWKSVUNIKRFSPG-VHSXEESVSA-N 0 3 271.292 -1.011 20 0 CAADHN Cn1cc(CN2CC[C@H](CO)[C@H](O)C2)c(=O)n(C)c1=O ZINC001231766704 780469405 /nfs/dbraw/zinc/46/94/05/780469405.db2.gz FBOWGUJYOWMUFU-MWLCHTKSSA-N 0 3 283.328 -1.741 20 0 CAADHN Cn1cc(CN2C[C@H](O)[C@@H](CO)C2)c(=O)n(C)c1=O ZINC001231767207 780469500 /nfs/dbraw/zinc/46/95/00/780469500.db2.gz QEXBACCLHYAVKY-ZJUUUORDSA-N 0 3 269.301 -2.131 20 0 CAADHN Cn1cc(CN2CC[C@H](CO)[C@@H](O)C2)c(=O)n(C)c1=O ZINC001231766703 780469510 /nfs/dbraw/zinc/46/95/10/780469510.db2.gz FBOWGUJYOWMUFU-KOLCDFICSA-N 0 3 283.328 -1.741 20 0 CAADHN CN(C)C1CN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001231767094 780469589 /nfs/dbraw/zinc/46/95/89/780469589.db2.gz NMJKGMMPPBEVNH-UHFFFAOYSA-N 0 3 252.318 -1.170 20 0 CAADHN CN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)CC(N)=O ZINC001277629342 780470492 /nfs/dbraw/zinc/47/04/92/780470492.db2.gz HTSIXXIZXKDQFT-SNVBAGLBSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)N1CCN(S(=O)(=O)CCN)CC1 ZINC000721713460 780470598 /nfs/dbraw/zinc/47/05/98/780470598.db2.gz BBGZDXLJSVFZHH-UHFFFAOYSA-N 0 3 250.324 -1.768 20 0 CAADHN CN(C(=O)C(N)=O)[C@H](CNCC(=O)N(C)C1CC1)C1CC1 ZINC001277696350 780471252 /nfs/dbraw/zinc/47/12/52/780471252.db2.gz WGESZGVAIIOZIC-LLVKDONJSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C(=O)C(N)=O)[C@@H](CNCC(=O)N(C)C1CC1)C1CC1 ZINC001277696351 780471633 /nfs/dbraw/zinc/47/16/33/780471633.db2.gz WGESZGVAIIOZIC-NSHDSACASA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccnn1C)NCC(N)=O ZINC001277772029 780471666 /nfs/dbraw/zinc/47/16/66/780471666.db2.gz UQZKRAIMGVLVHD-MRVPVSSYSA-N 0 3 253.306 -1.045 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O ZINC001277799739 780473526 /nfs/dbraw/zinc/47/35/26/780473526.db2.gz AVMGCMKHZCIEIE-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN CN(CCCNC(=O)CNC(N)=O)[C@H]1CCC(=O)NC1=O ZINC001233713534 780473552 /nfs/dbraw/zinc/47/35/52/780473552.db2.gz QDTXMMBPGBWOET-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN CN(CCCNC(=O)Cn1cnnn1)[C@H]1CCCNC1=O ZINC001233749584 780474729 /nfs/dbraw/zinc/47/47/29/780474729.db2.gz COQHQNUWBKZTFM-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)CC(N)=O)C(=O)N(C)C ZINC001277830097 780479741 /nfs/dbraw/zinc/47/97/41/780479741.db2.gz ALUZJGKNDSBEER-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)CC(N)=O)C(=O)N(C)C ZINC001277830098 780480295 /nfs/dbraw/zinc/48/02/95/780480295.db2.gz ALUZJGKNDSBEER-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001277874470 780487187 /nfs/dbraw/zinc/48/71/87/780487187.db2.gz PDROMHULVSFDGQ-MRVPVSSYSA-N 0 3 270.333 -1.436 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CCCCNC(N)=O ZINC001277892161 780487330 /nfs/dbraw/zinc/48/73/30/780487330.db2.gz KEHVOFIWXPUFEV-JTQLQIEISA-N 0 3 299.375 -1.109 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC001277932697 780489922 /nfs/dbraw/zinc/48/99/22/780489922.db2.gz LIRPPZKNYCLHOZ-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC001277924472 780490452 /nfs/dbraw/zinc/49/04/52/780490452.db2.gz IUMGLGPNNDIDTL-MRVPVSSYSA-N 0 3 268.317 -1.682 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC001277924473 780491130 /nfs/dbraw/zinc/49/11/30/780491130.db2.gz IUMGLGPNNDIDTL-QMMMGPOBSA-N 0 3 268.317 -1.682 20 0 CAADHN O=S(=O)(CC1CC[NH2+]CC1)[N-]C(CO)(CO)CO ZINC000722236641 780491711 /nfs/dbraw/zinc/49/17/11/780491711.db2.gz DCTZFPQWXZEWRU-UHFFFAOYSA-N 0 3 282.362 -2.379 20 0 CAADHN NCCS(=O)(=O)N1CCN(c2cnccn2)CC1 ZINC000722222271 780492039 /nfs/dbraw/zinc/49/20/39/780492039.db2.gz OFCYHOYZTOGJFV-UHFFFAOYSA-N 0 3 271.346 -1.113 20 0 CAADHN CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CCN2CCO ZINC001235606959 780492821 /nfs/dbraw/zinc/49/28/21/780492821.db2.gz JVOPSPAUNKHBQJ-UWVGGRQHSA-N 0 3 255.318 -1.258 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001235755844 780493430 /nfs/dbraw/zinc/49/34/30/780493430.db2.gz OUMAXORLJNGBKD-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN(C)C(=O)c1nc[n-]n1)[NH2+][C@H](C)C(N)=O ZINC001277968511 780493580 /nfs/dbraw/zinc/49/35/80/780493580.db2.gz INLWCRSGGWLKMK-RNFRBKRXSA-N 0 3 254.294 -1.271 20 0 CAADHN CC(=O)N1CC(=O)NC[C@]12CCN(CCCO)C2 ZINC001235624989 780494064 /nfs/dbraw/zinc/49/40/64/780494064.db2.gz ORNUAOQCCSARSC-LBPRGKRZSA-N 0 3 255.318 -1.208 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nc[n-]n1)[NH2+][C@@H](C)C(N)=O ZINC001277968507 780494183 /nfs/dbraw/zinc/49/41/83/780494183.db2.gz INLWCRSGGWLKMK-BQBZGAKWSA-N 0 3 254.294 -1.271 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1cnon1 ZINC001277969661 780494216 /nfs/dbraw/zinc/49/42/16/780494216.db2.gz VNVCBUJHFDJBFV-ZETCQYMHSA-N 0 3 255.278 -1.134 20 0 CAADHN C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)c1nc[n-]n1)C(N)=O ZINC001277968509 780494632 /nfs/dbraw/zinc/49/46/32/780494632.db2.gz INLWCRSGGWLKMK-NKWVEPMBSA-N 0 3 254.294 -1.271 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)Cn1cncn1 ZINC001277997529 780497424 /nfs/dbraw/zinc/49/74/24/780497424.db2.gz MUJZTOHEKOOZOJ-SECBINFHSA-N 0 3 266.305 -1.656 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cncn1)NCC(N)=O ZINC001278009898 780497796 /nfs/dbraw/zinc/49/77/96/780497796.db2.gz FQQKPOBHDOZBMT-MRVPVSSYSA-N 0 3 254.294 -1.800 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001278009923 780497811 /nfs/dbraw/zinc/49/78/11/780497811.db2.gz GALGZATVFUKZMV-QMMMGPOBSA-N 0 3 299.331 -2.279 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CN1C(=O)CNC1=O ZINC001278009922 780497975 /nfs/dbraw/zinc/49/79/75/780497975.db2.gz GALGZATVFUKZMV-MRVPVSSYSA-N 0 3 299.331 -2.279 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)Cn1cncn1 ZINC001277997530 780498191 /nfs/dbraw/zinc/49/81/91/780498191.db2.gz MUJZTOHEKOOZOJ-VIFPVBQESA-N 0 3 266.305 -1.656 20 0 CAADHN COC(=O)CN(CC(=O)OC)S(=O)(=O)CCN ZINC000722304307 780498798 /nfs/dbraw/zinc/49/87/98/780498798.db2.gz IFFSENCHQWFJQQ-UHFFFAOYSA-N 0 3 268.291 -2.077 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001278042066 780500023 /nfs/dbraw/zinc/50/00/23/780500023.db2.gz WZQWEYSPXFRGFG-SECBINFHSA-N 0 3 284.316 -1.101 20 0 CAADHN CCCC(=O)NC[C@H](CO)NCCN1C(=O)CNC1=O ZINC001278041430 780500110 /nfs/dbraw/zinc/50/01/10/780500110.db2.gz NHELFXXJXIHTOQ-SECBINFHSA-N 0 3 286.332 -1.595 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001278040784 780500221 /nfs/dbraw/zinc/50/02/21/780500221.db2.gz DNLILVULWBVTLW-MRVPVSSYSA-N 0 3 270.289 -1.491 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ccnc1)NCC(N)=O ZINC001278036007 780500724 /nfs/dbraw/zinc/50/07/24/780500724.db2.gz WTXZJJVKUFNYOP-VIFPVBQESA-N 0 3 253.306 -1.195 20 0 CAADHN CC(C)OCCN[C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001278053230 780501433 /nfs/dbraw/zinc/50/14/33/780501433.db2.gz DJNQNDXQRLNOCK-WDEREUQCSA-N 0 3 287.360 -1.243 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001278054637 780501595 /nfs/dbraw/zinc/50/15/95/780501595.db2.gz VFGIDRRFAYTJMK-MRVPVSSYSA-N 0 3 268.335 -2.256 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C1CN(C(C)=O)C1 ZINC001278069421 780503321 /nfs/dbraw/zinc/50/33/21/780503321.db2.gz ADXHKCLWSKKAHR-NSHDSACASA-N 0 3 273.333 -1.822 20 0 CAADHN CN(C)c1nc(NS(=O)(=O)CC[NH3+])cc(=O)[n-]1 ZINC001237514849 780506635 /nfs/dbraw/zinc/50/66/35/780506635.db2.gz KUEGFLAFXHYZHW-UHFFFAOYSA-N 0 3 261.307 -1.051 20 0 CAADHN COCCN[C@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001278106359 780507068 /nfs/dbraw/zinc/50/70/68/780507068.db2.gz XLZLJAMMWMOFCD-JTQLQIEISA-N 0 3 294.373 -1.866 20 0 CAADHN NC(=O)C(=O)NC[C@@H](CO)NCCn1cc(Cl)cn1 ZINC001278147946 780509972 /nfs/dbraw/zinc/50/99/72/780509972.db2.gz OUDVCLYPWYQWDE-QMMMGPOBSA-N 0 3 289.723 -1.912 20 0 CAADHN NC(=O)C(=O)NC[C@H](CO)NCCn1cc(Cl)cn1 ZINC001278147945 780510080 /nfs/dbraw/zinc/51/00/80/780510080.db2.gz OUDVCLYPWYQWDE-MRVPVSSYSA-N 0 3 289.723 -1.912 20 0 CAADHN CS(=O)(=O)c1ccc(CNS(=O)(=O)CCN)nc1 ZINC001238189885 780514105 /nfs/dbraw/zinc/51/41/05/780514105.db2.gz VLOJUCVMNBDKIU-UHFFFAOYSA-N 0 3 293.370 -1.137 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](CO)NCCO ZINC001278201149 780514127 /nfs/dbraw/zinc/51/41/27/780514127.db2.gz ARAKJPIVGSIWFY-MRVPVSSYSA-N 0 3 268.335 -2.520 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](CO)NCCO ZINC001278201150 780514146 /nfs/dbraw/zinc/51/41/46/780514146.db2.gz ARAKJPIVGSIWFY-QMMMGPOBSA-N 0 3 268.335 -2.520 20 0 CAADHN NCCS(=O)(=O)NCC1(C(N)=O)CCOCC1 ZINC001238122207 780514848 /nfs/dbraw/zinc/51/48/48/780514848.db2.gz GKCJUIALUSTCAV-UHFFFAOYSA-N 0 3 265.335 -1.853 20 0 CAADHN COC(=O)CCS(=O)(=O)[N-][C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238333267 780517325 /nfs/dbraw/zinc/51/73/25/780517325.db2.gz VETDKJPFIFBKRU-OIBJUYFYSA-N 0 3 291.329 -1.953 20 0 CAADHN CCOCCS(=O)(=O)[N-][C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238333752 780517605 /nfs/dbraw/zinc/51/76/05/780517605.db2.gz WWIOAUNSBLJYPP-SCZZXKLOSA-N 0 3 277.346 -1.480 20 0 CAADHN Cn1cc2c(n1)[C@H](CNS(=O)(=O)CCN)OCC2 ZINC001238363787 780517633 /nfs/dbraw/zinc/51/76/33/780517633.db2.gz LZEBOFUBBCPBTD-VIFPVBQESA-N 0 3 274.346 -1.088 20 0 CAADHN Cc1oncc1S(=O)(=O)[N-][C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238334740 780517663 /nfs/dbraw/zinc/51/76/63/780517663.db2.gz ZOOCCIQIPDSSSC-SCZZXKLOSA-N 0 3 286.313 -1.161 20 0 CAADHN COCCS(=O)(=O)[N-][C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238334140 780517805 /nfs/dbraw/zinc/51/78/05/780517805.db2.gz XJTIWAGCPYEZGB-CBAPKCEASA-N 0 3 263.319 -1.870 20 0 CAADHN COC(=O)CCS(=O)(=O)[N-][C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238333268 780517955 /nfs/dbraw/zinc/51/79/55/780517955.db2.gz VETDKJPFIFBKRU-XCBNKYQSSA-N 0 3 291.329 -1.953 20 0 CAADHN O=C1CCNC[C@H]1[N-]S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238628477 780520074 /nfs/dbraw/zinc/52/00/74/780520074.db2.gz RJUMYKYRBZFSFX-SNVBAGLBSA-N 0 3 275.374 -1.164 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)[N-][C@@H]1C[NH2+]C[C@H]1CO ZINC001238640153 780520147 /nfs/dbraw/zinc/52/01/47/780520147.db2.gz JBPRSQNKGYZBNF-NKWVEPMBSA-N 0 3 272.348 -2.512 20 0 CAADHN NCCS(=O)(=O)NC1CN(c2cnccn2)C1 ZINC001238595353 780520681 /nfs/dbraw/zinc/52/06/81/780520681.db2.gz HZKMAZRTFGTLHH-UHFFFAOYSA-N 0 3 257.319 -1.457 20 0 CAADHN NCCS(=O)(=O)NC1CCN(C2COC2)CC1 ZINC001238583322 780520753 /nfs/dbraw/zinc/52/07/53/780520753.db2.gz ZGOVBPOCBKZTJZ-UHFFFAOYSA-N 0 3 263.363 -1.272 20 0 CAADHN NCCS(=O)(=O)N[C@H]1CCN(C(=O)C2CC2)C1 ZINC001238808742 780522646 /nfs/dbraw/zinc/52/26/46/780522646.db2.gz SVSQABMVBLSPJU-VIFPVBQESA-N 0 3 261.347 -1.125 20 0 CAADHN Cn1cc(S(=O)(=O)NCCCC[C@H](N)C(N)=O)cn1 ZINC001238835082 780522660 /nfs/dbraw/zinc/52/26/60/780522660.db2.gz AZUVBSBFLZPDEH-VIFPVBQESA-N 0 3 289.361 -1.319 20 0 CAADHN CSCC[C@H](NS(=O)(=O)CCN)C(N)=O ZINC001238786404 780522851 /nfs/dbraw/zinc/52/28/51/780522851.db2.gz XSCMKCYKWAKPLF-LURJTMIESA-N 0 3 255.365 -1.529 20 0 CAADHN NCCS(=O)(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001238734640 780523227 /nfs/dbraw/zinc/52/32/27/780523227.db2.gz YRIUDDZQCWTQMT-UHFFFAOYSA-N 0 3 299.418 -2.015 20 0 CAADHN CCOCCS(=O)(=O)NCCCC[C@H](N)C(N)=O ZINC001238835407 780523322 /nfs/dbraw/zinc/52/33/22/780523322.db2.gz FFURIXVKTZAXJY-VIFPVBQESA-N 0 3 281.378 -1.075 20 0 CAADHN NC(=O)C(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CCCC1 ZINC001278268660 780523408 /nfs/dbraw/zinc/52/34/08/780523408.db2.gz XNXNJBZKGMGMNC-ZJUUUORDSA-N 0 3 282.344 -1.375 20 0 CAADHN COC(=O)CS(=O)(=O)NCCCC[C@H](N)C(N)=O ZINC001238836486 780523441 /nfs/dbraw/zinc/52/34/41/780523441.db2.gz LVCSUAOOEHTXCW-ZETCQYMHSA-N 0 3 281.334 -1.938 20 0 CAADHN NCCS(=O)(=O)N1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001239047057 780528741 /nfs/dbraw/zinc/52/87/41/780528741.db2.gz PCTAINLIDCIPKA-LPEHRKFASA-N 0 3 264.347 -1.253 20 0 CAADHN NCCS(=O)(=O)N1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001239047058 780528679 /nfs/dbraw/zinc/52/86/79/780528679.db2.gz PCTAINLIDCIPKA-OPRDCNLKSA-N 0 3 264.347 -1.253 20 0 CAADHN CCOC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)CCN)C[C@@H]2N1 ZINC001239061733 780528960 /nfs/dbraw/zinc/52/89/60/780528960.db2.gz ZHAHPLFHFAMWLG-BBBLOLIVSA-N 0 3 291.373 -1.500 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)CCN)CCN1 ZINC001239072701 780529096 /nfs/dbraw/zinc/52/90/96/780529096.db2.gz BEEWUCKYKSQRDX-SSDOTTSWSA-N 0 3 251.308 -2.278 20 0 CAADHN CC1(C)CN(S(=O)(=O)CCN)CCN1CC(N)=O ZINC001239098681 780529801 /nfs/dbraw/zinc/52/98/01/780529801.db2.gz XQSOYZKHLQCPSW-UHFFFAOYSA-N 0 3 278.378 -1.844 20 0 CAADHN CN(C1CCN(S(=O)(=O)CCN)CC1)S(C)(=O)=O ZINC001239096936 780529967 /nfs/dbraw/zinc/52/99/67/780529967.db2.gz CSGDCSHYJYSOCS-UHFFFAOYSA-N 0 3 299.418 -1.369 20 0 CAADHN CS(=O)(=O)n1cc2c(n1)CN(S(=O)(=O)CCN)C2 ZINC001239114062 780531265 /nfs/dbraw/zinc/53/12/65/780531265.db2.gz SSKZGASJJZKBOB-UHFFFAOYSA-N 0 3 294.358 -1.705 20 0 CAADHN NCCS(=O)(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001239106673 780531348 /nfs/dbraw/zinc/53/13/48/780531348.db2.gz UMFMJXQIHDQOBJ-UHFFFAOYSA-N 0 3 277.346 -1.744 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)CCN)CCN1C ZINC001239112523 780531501 /nfs/dbraw/zinc/53/15/01/780531501.db2.gz XHIOXWVPZZVGIC-MRVPVSSYSA-N 0 3 265.335 -1.936 20 0 CAADHN NCCS(=O)(=O)N1CCN(c2ccncn2)CC1 ZINC001239112072 780531642 /nfs/dbraw/zinc/53/16/42/780531642.db2.gz FXBRGNVOVFSCIY-UHFFFAOYSA-N 0 3 271.346 -1.113 20 0 CAADHN NCCS(=O)(=O)N1CCN(c2cncnc2)CC1 ZINC001239113251 780532063 /nfs/dbraw/zinc/53/20/63/780532063.db2.gz QTMRJEBXSJBPEG-UHFFFAOYSA-N 0 3 271.346 -1.113 20 0 CAADHN COC(=O)CC[C@H]1COCCN1S(=O)(=O)CCN ZINC001239175765 780534087 /nfs/dbraw/zinc/53/40/87/780534087.db2.gz CHTRQBULDBIJKC-VIFPVBQESA-N 0 3 280.346 -1.071 20 0 CAADHN COC(=O)[C@H](C)NC(=O)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239299293 780534126 /nfs/dbraw/zinc/53/41/26/780534126.db2.gz RKCQRULKYABBGX-BIIVOSGPSA-N 0 3 273.289 -1.310 20 0 CAADHN COC(=O)[C@H](C)NC(=O)NCCCC[C@H](N)C(N)=O ZINC001239243957 780534336 /nfs/dbraw/zinc/53/43/36/780534336.db2.gz SJAGTBGZAGHIHY-YUMQZZPRSA-N 0 3 274.321 -1.170 20 0 CAADHN COC(=O)[C@H](CN)N[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246080448 780542850 /nfs/dbraw/zinc/54/28/50/780542850.db2.gz GNIWAXAWLQXJNP-VGMNWLOBSA-N 0 3 259.306 -1.630 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)COCCOC)C1 ZINC001278354265 780536794 /nfs/dbraw/zinc/53/67/94/780536794.db2.gz AXRPMBZTMWBXNR-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN COC(=O)CCNC(=S)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239451586 780537773 /nfs/dbraw/zinc/53/77/73/780537773.db2.gz KYRSLTRETFNORI-JGVFFNPUSA-N 0 3 289.357 -1.144 20 0 CAADHN COC(=O)CCNC(=S)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239451584 780537891 /nfs/dbraw/zinc/53/78/91/780537891.db2.gz KYRSLTRETFNORI-HTQZYQBOSA-N 0 3 289.357 -1.144 20 0 CAADHN COCC(=O)N1C[C@H](NCCNS(C)(=O)=O)C[C@H]1C ZINC001278335514 780537953 /nfs/dbraw/zinc/53/79/53/780537953.db2.gz NTTGXTBJJNDZSD-NXEZZACHSA-N 0 3 293.389 -1.239 20 0 CAADHN CCCOC[C@H](O)CN[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001245984096 780539970 /nfs/dbraw/zinc/53/99/70/780539970.db2.gz HZLRVZHGCQCCLJ-GHMZBOCLSA-N 0 3 292.401 -1.107 20 0 CAADHN COC(=O)[C@@H]1CNCCN1C[C@H](O)CN1CCOCC1 ZINC001246046852 780540534 /nfs/dbraw/zinc/54/05/34/780540534.db2.gz ANDGKHDJDXRQCA-NEPJUHHUSA-N 0 3 287.360 -1.874 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCN2CCNC2=O)CN1 ZINC001246071724 780542721 /nfs/dbraw/zinc/54/27/21/780542721.db2.gz CKOHFMKHAGYGLX-IUCAKERBSA-N 0 3 256.306 -1.495 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCC(=O)N2CCOCC2)CN1 ZINC001246079120 780542973 /nfs/dbraw/zinc/54/29/73/780542973.db2.gz JFCRKYKRHOGCSK-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](N(C)S(=O)(=O)CCN)CN1 ZINC001246182629 780547205 /nfs/dbraw/zinc/54/72/05/780547205.db2.gz BGEQVASZHBHXES-BDAKNGLRSA-N 0 3 279.362 -1.500 20 0 CAADHN COC(=O)[C@@H]1C[C@H]([NH2+]CCCc2c[n-][nH]c2=O)CN1 ZINC001246171775 780547607 /nfs/dbraw/zinc/54/76/07/780547607.db2.gz DGARODGKSMAKDI-UTLUCORTSA-N 0 3 268.317 -1.009 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](NC(CO)(CO)CO)CN1 ZINC001246212622 780548290 /nfs/dbraw/zinc/54/82/90/780548290.db2.gz MTWIKMMFPPZVSF-BDAKNGLRSA-N 0 3 262.306 -2.415 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC2CC(CO)(CO)C2)CN1 ZINC001246215096 780548401 /nfs/dbraw/zinc/54/84/01/780548401.db2.gz MLSQIMZNRIFEOA-SCZZXKLOSA-N 0 3 258.318 -1.387 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N[C@H]2CCN(C3COC3)C2)CN1 ZINC001246229630 780548543 /nfs/dbraw/zinc/54/85/43/780548543.db2.gz KRPKCUHOYGXMKV-NHCYSSNCSA-N 0 3 269.345 -1.047 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N[C@H]2CCN(C3COC3)C2)CN1 ZINC001246229634 780548762 /nfs/dbraw/zinc/54/87/62/780548762.db2.gz KRPKCUHOYGXMKV-UMNHJUIQSA-N 0 3 269.345 -1.047 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCOCCOCCO)CN1 ZINC001246207775 780548878 /nfs/dbraw/zinc/54/88/78/780548878.db2.gz BRFYRZCAJXCYCV-MNOVXSKESA-N 0 3 276.333 -1.495 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCC(=O)N2CCN(C)CC2)CN1 ZINC001246257158 780549588 /nfs/dbraw/zinc/54/95/88/780549588.db2.gz UJQOXMXLKOBYPJ-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NC[C@@H]2CCS(=O)(=O)C2)CN1 ZINC001246235274 780550174 /nfs/dbraw/zinc/55/01/74/780550174.db2.gz QWGGEXCYRQKMGG-GUBZILKMSA-N 0 3 276.358 -1.086 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC[C@@H]2CCS(=O)(=O)C2)CN1 ZINC001246235271 780550239 /nfs/dbraw/zinc/55/02/39/780550239.db2.gz QWGGEXCYRQKMGG-AEJSXWLSSA-N 0 3 276.358 -1.086 20 0 CAADHN COC(=O)CNC(=O)CN[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246307185 780551156 /nfs/dbraw/zinc/55/11/56/780551156.db2.gz DCUXTWVDNTYADA-BDAKNGLRSA-N 0 3 287.316 -1.841 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCN2CC3(COC3)C2)CN1 ZINC001246298598 780551309 /nfs/dbraw/zinc/55/13/09/780551309.db2.gz BRXKROONADFMEC-MNOVXSKESA-N 0 3 269.345 -1.188 20 0 CAADHN CCOC(=O)[C@H](N)CN[C@H]1CCN[C@H](C(=O)OC)C1 ZINC001246418742 780553214 /nfs/dbraw/zinc/55/32/14/780553214.db2.gz RJKNVNQNVKWHQY-AEJSXWLSSA-N 0 3 273.333 -1.240 20 0 CAADHN COC(=O)[C@@H]1C[C@H](n2cc(CN)cnc2=N)CN1 ZINC001246375226 780553546 /nfs/dbraw/zinc/55/35/46/780553546.db2.gz XBPQSCDRQQUVHL-IUCAKERBSA-N 0 3 251.290 -1.103 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](N[C@@H](C)C(=O)NCC(N)=O)CN1 ZINC001246406231 780553862 /nfs/dbraw/zinc/55/38/62/780553862.db2.gz SIOHICBDSLLAKX-CIUDSAMLSA-N 0 3 286.332 -2.140 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CCNC[C@H]2C(=O)OC)CN1 ZINC001246627781 780559685 /nfs/dbraw/zinc/55/96/85/780559685.db2.gz XKBCBRAGZXXDRO-GUBZILKMSA-N 0 3 271.317 -1.663 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2C[C@H]3CNC[C@@H](C2)O3)CN1 ZINC001246680962 780561021 /nfs/dbraw/zinc/56/10/21/780561021.db2.gz YFWXZEUMUZBTSM-MMWGEVLESA-N 0 3 255.318 -1.438 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](N2C[C@H]3CNC[C@@H](C2)O3)CN1 ZINC001246675867 780562059 /nfs/dbraw/zinc/56/20/59/780562059.db2.gz BRWZKINFZXSYKH-WYUUTHIRSA-N 0 3 269.345 -1.047 20 0 CAADHN COC(=O)[C@H]1C[C@H](N2CCNC[C@H]2C(=O)OC)CN1 ZINC001246857929 780562761 /nfs/dbraw/zinc/56/27/61/780562761.db2.gz XKBCBRAGZXXDRO-AEJSXWLSSA-N 0 3 271.317 -1.663 20 0 CAADHN O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C1CC(O)C1)O3 ZINC001247010193 780565877 /nfs/dbraw/zinc/56/58/77/780565877.db2.gz NJEPPNMWIIXRAY-QIBXXNMASA-N 0 3 274.342 -1.345 20 0 CAADHN OCC(CO)(CO)NC[C@H](O)COc1cccc(F)c1 ZINC001250824956 780568964 /nfs/dbraw/zinc/56/89/64/780568964.db2.gz VVOWFAMBMQXPIR-NSHDSACASA-N 0 3 289.303 -1.129 20 0 CAADHN O=C1NCCCC[C@@H]1NC[C@H](O)CN1CCOCC1 ZINC001251033189 780570089 /nfs/dbraw/zinc/57/00/89/780570089.db2.gz LHKNFJUGKDCSGZ-RYUDHWBXSA-N 0 3 271.361 -1.062 20 0 CAADHN OCCCN1CCN(C[C@H](O)CN2CCOCC2)CC1 ZINC001251010643 780570337 /nfs/dbraw/zinc/57/03/37/780570337.db2.gz ZOXHVGFVLMGZPM-AWEZNQCLSA-N 0 3 287.404 -1.321 20 0 CAADHN C[C@]1(CO)CN(C[C@H](O)CN2CCOCC2)CC[C@H]1O ZINC001251010492 780570669 /nfs/dbraw/zinc/57/06/69/780570669.db2.gz XDHCRWHFTSYTCU-MGPQQGTHSA-N 0 3 288.388 -1.255 20 0 CAADHN NS(=O)(=O)CCNC[C@H](O)CN1CCOCC1 ZINC001251035979 780571394 /nfs/dbraw/zinc/57/13/94/780571394.db2.gz UTBSZGWOCRETGH-VIFPVBQESA-N 0 3 267.351 -2.442 20 0 CAADHN O[C@H](CNC1CN(c2cnccn2)C1)CN1CCOCC1 ZINC001251039699 780571505 /nfs/dbraw/zinc/57/15/05/780571505.db2.gz KGLDIUGLUJNTNX-CYBMUJFWSA-N 0 3 293.371 -1.052 20 0 CAADHN O[C@@H](CNC1CN(c2ncccn2)C1)CN1CCOCC1 ZINC001251040074 780571521 /nfs/dbraw/zinc/57/15/21/780571521.db2.gz ONUFTAVHMQTIHY-ZDUSSCGKSA-N 0 3 293.371 -1.052 20 0 CAADHN NC(=O)C1(NC[C@@H](O)CN2CCOCC2)CCOCC1 ZINC001251039498 780571732 /nfs/dbraw/zinc/57/17/32/780571732.db2.gz HCIQQNJSGINWGY-LLVKDONJSA-N 0 3 287.360 -1.696 20 0 CAADHN Cc1nc(CNC[C@@H](O)CN2CCOCC2)n[nH]1 ZINC001251048162 780572626 /nfs/dbraw/zinc/57/26/26/780572626.db2.gz DMXXKSOOVKTINF-SNVBAGLBSA-N 0 3 255.322 -1.104 20 0 CAADHN C[C@@]1(NC[C@@H](O)CN2CCOCC2)CCC(=O)NC1=O ZINC001251043903 780572670 /nfs/dbraw/zinc/57/26/70/780572670.db2.gz RVSGBACODMIYPO-ZWNOBZJWSA-N 0 3 285.344 -1.536 20 0 CAADHN CC(=O)N1CC(NC[C@@H](O)CN2CCOCC2)C1 ZINC001251044268 780572681 /nfs/dbraw/zinc/57/26/81/780572681.db2.gz WJUGGMPTUMNPOM-GFCCVEGCSA-N 0 3 257.334 -1.500 20 0 CAADHN NC(=O)[C@H](Cc1c[nH]cn1)NC[C@H](O)CN1CCOCC1 ZINC001251048971 780572857 /nfs/dbraw/zinc/57/28/57/780572857.db2.gz KROYJCRRWAERMA-RYUDHWBXSA-N 0 3 297.359 -1.911 20 0 CAADHN NC(=O)[C@H](Cc1cnc[nH]1)NC[C@H](O)CN1CCOCC1 ZINC001251048971 780572866 /nfs/dbraw/zinc/57/28/66/780572866.db2.gz KROYJCRRWAERMA-RYUDHWBXSA-N 0 3 297.359 -1.911 20 0 CAADHN C[C@]1(NC[C@@H](O)CN2CCOCC2)CCC(=O)NC1=O ZINC001251043902 780572924 /nfs/dbraw/zinc/57/29/24/780572924.db2.gz RVSGBACODMIYPO-MFKMUULPSA-N 0 3 285.344 -1.536 20 0 CAADHN Cc1nc(CNC[C@H](O)CN2CCOCC2)n[nH]1 ZINC001251048160 780572990 /nfs/dbraw/zinc/57/29/90/780572990.db2.gz DMXXKSOOVKTINF-JTQLQIEISA-N 0 3 255.322 -1.104 20 0 CAADHN C[C@]1(NC[C@H](O)CN2CCOCC2)CCC(=O)NC1=O ZINC001251043899 780573178 /nfs/dbraw/zinc/57/31/78/780573178.db2.gz RVSGBACODMIYPO-GWCFXTLKSA-N 0 3 285.344 -1.536 20 0 CAADHN C[C@H](O)CNCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001251977776 780579890 /nfs/dbraw/zinc/57/98/90/780579890.db2.gz BHDPMXBZFOIIFS-CABZTGNLSA-N 0 3 295.339 -1.125 20 0 CAADHN CC(=O)N1CC(=O)NC[C@@]12CCN(C[C@H](C)O)C2 ZINC001251958537 780579978 /nfs/dbraw/zinc/57/99/78/780579978.db2.gz JCRUFYJIOVDZQT-JOYOIKCWSA-N 0 3 255.318 -1.210 20 0 CAADHN CON(C)C(=O)CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC001252010104 780579996 /nfs/dbraw/zinc/57/99/96/780579996.db2.gz TUIFSEHMKLQVFO-NSHDSACASA-N 0 3 274.321 -1.628 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C[C@H](O)CO)O1 ZINC001252057785 780580442 /nfs/dbraw/zinc/58/04/42/780580442.db2.gz OXTPGAHEADCOGW-ZDCRXTMVSA-N 0 3 258.318 -1.340 20 0 CAADHN CN1CCN(C)C2(CCN(C[C@H](O)CO)CC2)C1=O ZINC001252058621 780580696 /nfs/dbraw/zinc/58/06/96/780580696.db2.gz GDBUZVMMJAZHBT-NSHDSACASA-N 0 3 271.361 -1.422 20 0 CAADHN COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C[C@H](O)CO)O1 ZINC001252057971 780580801 /nfs/dbraw/zinc/58/08/01/780580801.db2.gz SNFGYPAZBFDNEI-QCNOEVLYSA-N 0 3 288.344 -1.666 20 0 CAADHN CCOC[C@H](O)CNCC(=O)NCC(=O)OCC ZINC001252046163 780580847 /nfs/dbraw/zinc/58/08/47/780580847.db2.gz YJSBHDCYHBKUTA-SECBINFHSA-N 0 3 262.306 -1.347 20 0 CAADHN NS(=O)(=O)c1ccc(CNC[C@H](O)CO)cc1 ZINC001252051982 780580924 /nfs/dbraw/zinc/58/09/24/780580924.db2.gz CQEWOVHNHRAQEM-VIFPVBQESA-N 0 3 260.315 -1.223 20 0 CAADHN CCOC[C@H](O)CN[C@@H](C)C(=O)NCC(=O)OC ZINC001252047215 780581012 /nfs/dbraw/zinc/58/10/12/780581012.db2.gz IQJJIQDOCRTBIF-DTWKUNHWSA-N 0 3 262.306 -1.349 20 0 CAADHN CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2C[C@H](O)CO)O1 ZINC001252057784 780581139 /nfs/dbraw/zinc/58/11/39/780581139.db2.gz OXTPGAHEADCOGW-LNFKQOIKSA-N 0 3 258.318 -1.340 20 0 CAADHN O=C(NC1CCN(C[C@H](O)CO)CC1)N1CCOCC1 ZINC001252062501 780582270 /nfs/dbraw/zinc/58/22/70/780582270.db2.gz OUGZTTXHTQZOLE-LBPRGKRZSA-N 0 3 287.360 -1.154 20 0 CAADHN O=C1COCCN1C1CCN(C[C@H](O)CO)CC1 ZINC001252063086 780582834 /nfs/dbraw/zinc/58/28/34/780582834.db2.gz YQYJMHYIMDLSLY-NSHDSACASA-N 0 3 258.318 -1.337 20 0 CAADHN CC(C)C[C@H](NC[C@H](O)CO)C(=O)NCC(N)=O ZINC001252074707 780583635 /nfs/dbraw/zinc/58/36/35/780583635.db2.gz LRWLXEUZTDDVOM-IUCAKERBSA-N 0 3 261.322 -2.055 20 0 CAADHN COC(=O)[C@H](O)CN1CCC2(CC1)CNC(=O)CO2 ZINC001252428599 780586631 /nfs/dbraw/zinc/58/66/31/780586631.db2.gz SSZMPBCLWGLCGP-SECBINFHSA-N 0 3 272.301 -1.499 20 0 CAADHN C[C@H](NC[C@@H](O)COCc1ccco1)C(=O)NCC(N)=O ZINC001252659404 780588644 /nfs/dbraw/zinc/58/86/44/780588644.db2.gz BUMSDLWSHLVFHT-VHSXEESVSA-N 0 3 299.327 -1.263 20 0 CAADHN CC(C)OC[C@H](O)CN[C@@H](C)C(=O)NCC(N)=O ZINC001252698246 780589283 /nfs/dbraw/zinc/58/92/83/780589283.db2.gz IDMAXBOBZBTBCX-DTWKUNHWSA-N 0 3 261.322 -1.648 20 0 CAADHN COC(=O)CC[C@H](NCC1(O)CCOCC1)C(N)=O ZINC001252979046 780591371 /nfs/dbraw/zinc/59/13/71/780591371.db2.gz NASDHTULDDAWEG-VIFPVBQESA-N 0 3 274.317 -1.075 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)COC ZINC001278703944 780592113 /nfs/dbraw/zinc/59/21/13/780592113.db2.gz NIJPSEUHBZCNQD-DTWKUNHWSA-N 0 3 261.322 -1.824 20 0 CAADHN CN(C[C@@H](O)CNC/C=C\Cl)C(=O)Cn1cnnn1 ZINC001278731198 780593822 /nfs/dbraw/zinc/59/38/22/780593822.db2.gz IAMLTANUALXKAT-XADBCAIWSA-N 0 3 288.739 -1.166 20 0 CAADHN CC(C)(C)OC(=O)[C@H](O)CNC[C@@H]1CNC(=O)CO1 ZINC001253705170 780594672 /nfs/dbraw/zinc/59/46/72/780594672.db2.gz XFODBZISSNDPLK-RKDXNWHRSA-N 0 3 274.317 -1.206 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](O)CNCCF ZINC001278762000 780599123 /nfs/dbraw/zinc/59/91/23/780599123.db2.gz KPXLGBXCUJANFM-QMMMGPOBSA-N 0 3 264.301 -1.706 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@H]1CCOC1 ZINC001278765930 780600780 /nfs/dbraw/zinc/60/07/80/780600780.db2.gz FJCDGOSJTYFKEU-JQWIXIFHSA-N 0 3 258.318 -1.432 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001278768133 780600836 /nfs/dbraw/zinc/60/08/36/780600836.db2.gz PBEHXCKLTDUHJN-JGVFFNPUSA-N 0 3 288.348 -2.219 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001278768135 780600901 /nfs/dbraw/zinc/60/09/01/780600901.db2.gz PBEHXCKLTDUHJN-YUMQZZPRSA-N 0 3 288.348 -2.219 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)c1cc(=O)n(C)cn1 ZINC001278768213 780601124 /nfs/dbraw/zinc/60/11/24/780601124.db2.gz QOVJYXFEFMFPMW-VIFPVBQESA-N 0 3 286.307 -1.228 20 0 CAADHN CS(=O)(=O)N(C1CNC1)[C@H]1CCS(=O)(=O)C1 ZINC001254342148 780603272 /nfs/dbraw/zinc/60/32/72/780603272.db2.gz RJPTUWZJXPOLRT-ZETCQYMHSA-N 0 3 268.360 -1.593 20 0 CAADHN CC(C)COCCN1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278799719 780606219 /nfs/dbraw/zinc/60/62/19/780606219.db2.gz FSACKKRBCIWYRD-ZDUSSCGKSA-N 0 3 287.360 -1.303 20 0 CAADHN Cn1ncc(C(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001278810701 780607278 /nfs/dbraw/zinc/60/72/78/780607278.db2.gz NTUUFJBRLNDWJU-NSHDSACASA-N 0 3 269.305 -2.026 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)CCn1cnnn1 ZINC001278822789 780608696 /nfs/dbraw/zinc/60/86/96/780608696.db2.gz KUMXDVUYSXMJCN-SECBINFHSA-N 0 3 274.300 -1.558 20 0 CAADHN CCOCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001278816928 780608957 /nfs/dbraw/zinc/60/89/57/780608957.db2.gz YZFAJWJDAFYBMD-ZDUSSCGKSA-N 0 3 297.359 -1.063 20 0 CAADHN CCOCC[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001278816928 780608961 /nfs/dbraw/zinc/60/89/61/780608961.db2.gz YZFAJWJDAFYBMD-ZDUSSCGKSA-N 0 3 297.359 -1.063 20 0 CAADHN CNC(=O)C1(C(=O)N(C)C[C@H](O)CNCCF)CC1 ZINC001278817257 780609005 /nfs/dbraw/zinc/60/90/05/780609005.db2.gz NRKOYEMYTNBUDC-SECBINFHSA-N 0 3 275.324 -1.109 20 0 CAADHN OC[C@H]1O[C@@H](O)[C@H](NC2Cc3ccccc3C2)[C@@H](O)[C@@H]1O ZINC001255015431 780611038 /nfs/dbraw/zinc/61/10/38/780611038.db2.gz GUDHKEBCJVXLOA-KJWHEZOQSA-N 0 3 295.335 -1.457 20 0 CAADHN OC[C@H]1O[C@@H](O)[C@H](NC2CCSCC2)[C@@H](O)[C@@H]1O ZINC001255083167 780611277 /nfs/dbraw/zinc/61/12/77/780611277.db2.gz RUOYQVOMWXRYDO-ISUQUUIWSA-N 0 3 279.358 -1.729 20 0 CAADHN OC[C@H]1O[C@H](O)[C@H](NC2CCSCC2)[C@@H](O)[C@@H]1O ZINC001255083161 780611362 /nfs/dbraw/zinc/61/13/62/780611362.db2.gz RUOYQVOMWXRYDO-ILAIQSSSSA-N 0 3 279.358 -1.729 20 0 CAADHN OC[C@H]1O[C@H](O)[C@H](NC2Cc3ccccc3C2)[C@@H](O)[C@@H]1O ZINC001255015432 780611369 /nfs/dbraw/zinc/61/13/69/780611369.db2.gz GUDHKEBCJVXLOA-RYPNDVFKSA-N 0 3 295.335 -1.457 20 0 CAADHN CC1(C)C[C@@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CCO1 ZINC001255528368 780615005 /nfs/dbraw/zinc/61/50/05/780615005.db2.gz MOOLMAQUXQHCNQ-VQJPJQAJSA-N 0 3 291.344 -1.667 20 0 CAADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@H](C)COC ZINC001255560113 780616540 /nfs/dbraw/zinc/61/65/40/780616540.db2.gz CYNXNNQIIWTESR-SECBINFHSA-N 0 3 289.332 -1.594 20 0 CAADHN NC(=O)C[C@H](NC1CCN(c2ncccn2)CC1)C(N)=O ZINC001256053548 780620123 /nfs/dbraw/zinc/62/01/23/780620123.db2.gz AAAVUEPUPISDNS-JTQLQIEISA-N 0 3 292.343 -1.236 20 0 CAADHN O=C1CCC(=O)N1CCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001256205644 780620982 /nfs/dbraw/zinc/62/09/82/780620982.db2.gz PKFOCFBQANKLSK-ZDUSSCGKSA-N 0 3 294.311 -1.191 20 0 CAADHN C[C@H](CC(=O)N1CCOCC1)NC(CO)(CO)CO ZINC001256320904 780622430 /nfs/dbraw/zinc/62/24/30/780622430.db2.gz AXPFOWJOJGKLAI-SNVBAGLBSA-N 0 3 276.333 -2.071 20 0 CAADHN C[C@@H](CC(=O)N1CCOCC1)NS(=O)(=O)CCN ZINC001256320680 780622547 /nfs/dbraw/zinc/62/25/47/780622547.db2.gz UUTKXZVXGKXMTO-VIFPVBQESA-N 0 3 279.362 -1.498 20 0 CAADHN C[C@@H](CC(=O)N1CCOCC1)N(C)S(=O)(=O)CCN ZINC001256320379 780622851 /nfs/dbraw/zinc/62/28/51/780622851.db2.gz MUHDOQZVFQIIAA-JTQLQIEISA-N 0 3 293.389 -1.156 20 0 CAADHN CCOC(=O)CNC(=O)CNC1CCS(=O)(=O)CC1 ZINC001256377277 780623511 /nfs/dbraw/zinc/62/35/11/780623511.db2.gz QBYLUBRQMSCLKR-UHFFFAOYSA-N 0 3 292.357 -1.168 20 0 CAADHN C[C@H](Cc1ccncc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001256725396 780625969 /nfs/dbraw/zinc/62/59/69/780625969.db2.gz IYLLFYCHJCQFST-NFWMENDESA-N 0 3 298.339 -1.598 20 0 CAADHN NC(=O)C(NC1CCC(N2CCOCC2)CC1)C(N)=O ZINC001256679215 780625994 /nfs/dbraw/zinc/62/59/94/780625994.db2.gz FZJCXEUICYHUIP-UHFFFAOYSA-N 0 3 284.360 -1.441 20 0 CAADHN CCOC(=O)[C@@H]1CC[C@@H](NCC(=O)NCC(N)=O)C1 ZINC001257046936 780626995 /nfs/dbraw/zinc/62/69/95/780626995.db2.gz ZAGMFFIBSADWTF-RKDXNWHRSA-N 0 3 271.317 -1.091 20 0 CAADHN C[C@@H]1C[C@@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@H](C)O1 ZINC001257077727 780627050 /nfs/dbraw/zinc/62/70/50/780627050.db2.gz BYWVDKQBQNEKLV-KCUJPZLISA-N 0 3 291.344 -1.668 20 0 CAADHN C[C@@H]1C[C@@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@H](C)O1 ZINC001257077725 780627400 /nfs/dbraw/zinc/62/74/00/780627400.db2.gz BYWVDKQBQNEKLV-AZSQOPLBSA-N 0 3 291.344 -1.668 20 0 CAADHN CCOC(=O)[C@H]1CC[C@H](NCC(=O)NCC(N)=O)C1 ZINC001257046935 780627555 /nfs/dbraw/zinc/62/75/55/780627555.db2.gz ZAGMFFIBSADWTF-IUCAKERBSA-N 0 3 271.317 -1.091 20 0 CAADHN C[C@H]1CN(CCN2CC[C@](O)(C(N)=O)C2)CCO1 ZINC001257390494 780629699 /nfs/dbraw/zinc/62/96/99/780629699.db2.gz FTXAADQCXPPIQM-CMPLNLGQSA-N 0 3 257.334 -1.371 20 0 CAADHN CN(CCNC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21)C1CC1 ZINC001257381913 780629804 /nfs/dbraw/zinc/62/98/04/780629804.db2.gz BFQYCRPJVBXZHW-URLYPYJESA-N 0 3 267.329 -1.042 20 0 CAADHN C[C@@H](Cc1ccco1)NCC(=O)NCC(=O)NCC(N)=O ZINC001258186159 780631342 /nfs/dbraw/zinc/63/13/42/780631342.db2.gz WXLFPRPCUZUFPX-VIFPVBQESA-N 0 3 296.327 -1.482 20 0 CAADHN COC(=O)CS(=O)(=O)N1CCO[C@H](CN(C)C)C1 ZINC001259020161 780637010 /nfs/dbraw/zinc/63/70/10/780637010.db2.gz HVJWWDXOGCAQTK-SECBINFHSA-N 0 3 280.346 -1.248 20 0 CAADHN COC(=O)CS(=O)(=O)N(CCN(C)C)CCN(C)C ZINC001259022341 780637105 /nfs/dbraw/zinc/63/71/05/780637105.db2.gz YVJRUKBKUGMTLP-UHFFFAOYSA-N 0 3 295.405 -1.086 20 0 CAADHN CN(C)CCN1CCN(S(N)(=O)=O)CCC1=O ZINC001260078617 780647505 /nfs/dbraw/zinc/64/75/05/780647505.db2.gz XMUSKZMNVFXHII-UHFFFAOYSA-N 0 3 264.351 -1.714 20 0 CAADHN Cn1nncc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC001261125312 780657511 /nfs/dbraw/zinc/65/75/11/780657511.db2.gz HSZFOQKWFQFLMP-NSHDSACASA-N 0 3 264.333 -1.179 20 0 CAADHN O=C(CNC(=O)[C@@H]1CNCCO1)N1CCNCC1 ZINC001261461130 780665482 /nfs/dbraw/zinc/66/54/82/780665482.db2.gz ZORRNNQSUCGCHO-VIFPVBQESA-N 0 3 256.306 -2.477 20 0 CAADHN Cn1cc([C@H](O)CNC(=O)C[C@@H]2CNCCO2)cn1 ZINC001261493263 780666308 /nfs/dbraw/zinc/66/63/08/780666308.db2.gz QQKDFIRMYBFNPS-GHMZBOCLSA-N 0 3 268.317 -1.052 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001261527192 780669457 /nfs/dbraw/zinc/66/94/57/780669457.db2.gz JGIBBVHYPVFMJS-YUMQZZPRSA-N 0 3 263.319 -2.217 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)[C@H]1CCS(=O)(=O)N1 ZINC001261527190 780669744 /nfs/dbraw/zinc/66/97/44/780669744.db2.gz JGIBBVHYPVFMJS-JGVFFNPUSA-N 0 3 263.319 -2.217 20 0 CAADHN CCS(=O)(=O)NCCCN1C[C@@H](CO)[C@H](CO)C1 ZINC001261805650 780684562 /nfs/dbraw/zinc/68/45/62/780684562.db2.gz OTGKEVZRTBSBBD-QWRGUYRKSA-N 0 3 280.390 -1.152 20 0 CAADHN NC(=O)c1cc(C(=O)N2CCOC3(CNC3)C2)c[nH]1 ZINC001261647681 780677072 /nfs/dbraw/zinc/67/70/72/780677072.db2.gz DFWRTXKXTMHSIH-UHFFFAOYSA-N 0 3 264.285 -1.072 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@H]2CCNC2=O)C1 ZINC001261675540 780678108 /nfs/dbraw/zinc/67/81/08/780678108.db2.gz FZHYTRSFYHJQIJ-KWQFWETISA-N 0 3 256.306 -1.759 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001261742602 780681231 /nfs/dbraw/zinc/68/12/31/780681231.db2.gz ZOIBQNAVAHUKMJ-UWVGGRQHSA-N 0 3 257.334 -1.059 20 0 CAADHN O=CN1CCC[C@@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001261746491 780681355 /nfs/dbraw/zinc/68/13/55/780681355.db2.gz LGPLAQNFMUXSFD-QJPTWQEYSA-N 0 3 267.329 -1.115 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001261742603 780681604 /nfs/dbraw/zinc/68/16/04/780681604.db2.gz ZOIBQNAVAHUKMJ-VHSXEESVSA-N 0 3 257.334 -1.059 20 0 CAADHN CNC(=O)C1CCN(c2nc(N)nc(N)n2)CC1 ZINC001261789729 780683708 /nfs/dbraw/zinc/68/37/08/780683708.db2.gz NLJNHLGYPZOGKW-UHFFFAOYSA-N 0 3 251.294 -1.002 20 0 CAADHN C[C@@]1(C(=O)N2CCOC3(CNC3)C2)CCNC1=O ZINC001262008276 780696468 /nfs/dbraw/zinc/69/64/68/780696468.db2.gz HKYAUZASDBKGLQ-LLVKDONJSA-N 0 3 253.302 -1.287 20 0 CAADHN OCCOCC1(O)CCN(CCn2cnnn2)CC1 ZINC001262077409 780698406 /nfs/dbraw/zinc/69/84/06/780698406.db2.gz CYRCMKDDGYEXSY-UHFFFAOYSA-N 0 3 271.321 -1.491 20 0 CAADHN COCCNCC(=O)NCC1(S(=O)(=O)N(C)C)CC1 ZINC001262049180 780698582 /nfs/dbraw/zinc/69/85/82/780698582.db2.gz OTHFOLITEDCOSA-UHFFFAOYSA-N 0 3 293.389 -1.237 20 0 CAADHN CNC(=O)C1(NCCn2cnnn2)CCOCC1 ZINC001262078791 780698619 /nfs/dbraw/zinc/69/86/19/780698619.db2.gz VXDQQKNZQRQHBM-UHFFFAOYSA-N 0 3 254.294 -1.442 20 0 CAADHN C[C@@H](O)CN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC001262204972 780703965 /nfs/dbraw/zinc/70/39/65/780703965.db2.gz HBRVAPIIUZUWCU-SNVBAGLBSA-N 0 3 272.349 -2.153 20 0 CAADHN CO[C@H](C)CN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC001262204941 780704366 /nfs/dbraw/zinc/70/43/66/780704366.db2.gz GGGJRPAGHJKKDR-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CCNS(C)(=O)=O)C1=O ZINC001262197112 780704552 /nfs/dbraw/zinc/70/45/52/780704552.db2.gz FKKLOYMDKGIQPM-ZETCQYMHSA-N 0 3 278.334 -1.982 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1C[C@@H]2COC[C@@H]2C1 ZINC001262203995 780704579 /nfs/dbraw/zinc/70/45/79/780704579.db2.gz HWSPQPBXJQCJPZ-TXEJJXNPSA-N 0 3 296.371 -1.887 20 0 CAADHN O=C1CCN(C[C@H](O)C2(O)CCOCC2)CCN1 ZINC001262227778 780705452 /nfs/dbraw/zinc/70/54/52/780705452.db2.gz NBNLUSJHORRPCY-JTQLQIEISA-N 0 3 258.318 -1.289 20 0 CAADHN CN(C[C@@H](O)C[C@]1(O)CCOC1)[C@@H]1COC[C@H]1O ZINC001262305760 780707362 /nfs/dbraw/zinc/70/73/62/780707362.db2.gz UEPLJEYQTXQOFO-IRCOFANPSA-N 0 3 261.318 -1.420 20 0 CAADHN C[C@H](O)[C@@H](O)CN[C@@H]1C(=O)NCC12CCOCC2 ZINC001262319747 780708272 /nfs/dbraw/zinc/70/82/72/780708272.db2.gz PCNFOMTYNAKLIT-LPEHRKFASA-N 0 3 258.318 -1.387 20 0 CAADHN O=C(NCCn1ccnc1)C(=O)N1CCNCCNCC1 ZINC001262542262 780713932 /nfs/dbraw/zinc/71/39/32/780713932.db2.gz UWWMFMUNNAIYGD-UHFFFAOYSA-N 0 3 294.359 -1.979 20 0 CAADHN O=C(NC[C@H]1CCOC1)C(=O)N1CCNCCNCC1 ZINC001262543761 780713974 /nfs/dbraw/zinc/71/39/74/780713974.db2.gz KRMRSWUOYYJJJK-LLVKDONJSA-N 0 3 284.360 -1.840 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@H]1COC2(CNC2)C1 ZINC001263142028 780721205 /nfs/dbraw/zinc/72/12/05/780721205.db2.gz OOZUCFUTBCJGFP-SECBINFHSA-N 0 3 268.317 -2.335 20 0 CAADHN CCN1CCCN(C(=O)[C@@H]2CNCCN2C)CC1=O ZINC001263122168 780721462 /nfs/dbraw/zinc/72/14/62/780721462.db2.gz PBYCWRYHGBJHBK-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN COC[C@H](N)C(=O)N1CCNC[C@@H]1c1nccn1C ZINC001263107703 780721593 /nfs/dbraw/zinc/72/15/93/780721593.db2.gz CVXRVQCULKKLQG-VHSXEESVSA-N 0 3 267.333 -1.133 20 0 CAADHN O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1CCC(=O)NC1 ZINC001263156253 780722215 /nfs/dbraw/zinc/72/22/15/780722215.db2.gz QZGQBVRBYMMZFO-BDAKNGLRSA-N 0 3 253.302 -1.240 20 0 CAADHN O=C(N[C@H]1COC2(CNC2)C1)[C@H]1CCC(=O)NC1 ZINC001263156254 780722224 /nfs/dbraw/zinc/72/22/24/780722224.db2.gz QZGQBVRBYMMZFO-DTWKUNHWSA-N 0 3 253.302 -1.240 20 0 CAADHN O=C(N[C@@H]1COC2(CNC2)C1)[C@H]1CCC(=O)NC1 ZINC001263156255 780722289 /nfs/dbraw/zinc/72/22/89/780722289.db2.gz QZGQBVRBYMMZFO-IUCAKERBSA-N 0 3 253.302 -1.240 20 0 CAADHN O=C(C[C@H]1CCNC1=O)N[C@@H]1COC2(CNC2)C1 ZINC001263156392 780722529 /nfs/dbraw/zinc/72/25/29/780722529.db2.gz VPKMTGBVQBIBSI-BDAKNGLRSA-N 0 3 253.302 -1.240 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)N[C@H]1COC2(CNC2)C1 ZINC001263156393 780722627 /nfs/dbraw/zinc/72/26/27/780722627.db2.gz VPKMTGBVQBIBSI-DTWKUNHWSA-N 0 3 253.302 -1.240 20 0 CAADHN CCOC(=O)[C@H]1CN(C(=O)[C@H](CN)OC)CCO1 ZINC001263142593 780722841 /nfs/dbraw/zinc/72/28/41/780722841.db2.gz FQLMSOGDNTUYHV-DTWKUNHWSA-N 0 3 260.290 -1.249 20 0 CAADHN O=C(N[C@H]1COC2(CNC2)C1)[C@@H]1CCC(=O)NC1 ZINC001263156256 780722995 /nfs/dbraw/zinc/72/29/95/780722995.db2.gz QZGQBVRBYMMZFO-RKDXNWHRSA-N 0 3 253.302 -1.240 20 0 CAADHN O=C(Cn1ncnn1)N1CCC2(CC1)CNCCO2 ZINC001263222811 780724483 /nfs/dbraw/zinc/72/44/83/780724483.db2.gz PDPFEYCYGAFZMR-UHFFFAOYSA-N 0 3 266.305 -1.346 20 0 CAADHN COCCNCC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001263230932 780724711 /nfs/dbraw/zinc/72/47/11/780724711.db2.gz RQXARZCTLCYGER-SECBINFHSA-N 0 3 292.361 -2.417 20 0 CAADHN CN1CCN(C)CCN(C(=O)[C@@H]2CNCCO2)CC1 ZINC001263245705 780725234 /nfs/dbraw/zinc/72/52/34/780725234.db2.gz ROQYBOQCVFARLN-LBPRGKRZSA-N 0 3 270.377 -1.319 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001263825537 780731574 /nfs/dbraw/zinc/73/15/74/780731574.db2.gz ZJLSQQGPHLULTF-GHMZBOCLSA-N 0 3 295.339 -1.197 20 0 CAADHN C[C@@H](NC[C@@H]1C[C@H](C)CCN1C(=O)CC(N)=O)C(N)=O ZINC001263984033 780734283 /nfs/dbraw/zinc/73/42/83/780734283.db2.gz JKGMSKDNJQOVSV-BBBLOLIVSA-N 0 3 284.360 -1.048 20 0 CAADHN COC(=O)[C@@H](O)CN1CC[C@H](N2CCOCC2)C1 ZINC000385193607 780734859 /nfs/dbraw/zinc/73/48/59/780734859.db2.gz PNYIOKNZVGLJRH-QWRGUYRKSA-N 0 3 258.318 -1.073 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001281081681 780736411 /nfs/dbraw/zinc/73/64/11/780736411.db2.gz MGQINGZWHWLGSM-MRVPVSSYSA-N 0 3 274.321 -2.593 20 0 CAADHN CN(CCOCCO)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001264184178 780736552 /nfs/dbraw/zinc/73/65/52/780736552.db2.gz IQPQONQQCJLTBU-NSHDSACASA-N 0 3 287.360 -1.207 20 0 CAADHN CCn1nncc1CN[C@H]1C[C@@H](CNC(=O)C(N)=O)C1 ZINC001264401445 780737579 /nfs/dbraw/zinc/73/75/79/780737579.db2.gz AUINUYJRKZURFM-DTORHVGOSA-N 0 3 280.332 -1.232 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H]1CCCCN1C(=O)C(N)=O ZINC001265090060 780741689 /nfs/dbraw/zinc/74/16/89/780741689.db2.gz VOZJKMUVTKKAEH-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CCN(CCCNC(=O)c1nnn(C)n1)[C@H]1CCNC1=O ZINC001265127753 780744045 /nfs/dbraw/zinc/74/40/45/780744045.db2.gz HWRYAUKBVAPFQC-VIFPVBQESA-N 0 3 295.347 -1.460 20 0 CAADHN CCN1CCN(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001265260132 780745399 /nfs/dbraw/zinc/74/53/99/780745399.db2.gz XJTYJUYFMAAIBL-JTQLQIEISA-N 0 3 297.359 -1.662 20 0 CAADHN NC(=O)CC(=O)N[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001265278049 780745539 /nfs/dbraw/zinc/74/55/39/780745539.db2.gz YYHBYJGTNXKYLR-WDEREUQCSA-N 0 3 295.343 -1.690 20 0 CAADHN COC(=O)NCC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001265272667 780745719 /nfs/dbraw/zinc/74/57/19/780745719.db2.gz IVVGCHJYKMJFOT-SECBINFHSA-N 0 3 259.306 -1.085 20 0 CAADHN Cn1ncc(CCC(=O)N[C@@H]2CCN(CCO)C2)n1 ZINC001265303654 780746560 /nfs/dbraw/zinc/74/65/60/780746560.db2.gz LZNRWUJKDZNHNU-LLVKDONJSA-N 0 3 267.333 -1.070 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001265296773 780747182 /nfs/dbraw/zinc/74/71/82/780747182.db2.gz DCBIOQQJMZWXMD-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001265296774 780747254 /nfs/dbraw/zinc/74/72/54/780747254.db2.gz DCBIOQQJMZWXMD-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CN(C)C(=O)CN1CCN(S(=O)(=O)CCN)CC1 ZINC000700776413 780748207 /nfs/dbraw/zinc/74/82/07/780748207.db2.gz GRWJFEYGGHIHDE-UHFFFAOYSA-N 0 3 278.378 -2.019 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H]1CCN(CCCOC)C1 ZINC001265317485 780748384 /nfs/dbraw/zinc/74/83/84/780748384.db2.gz PVWXRCRVYSRMDI-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001265379752 780748431 /nfs/dbraw/zinc/74/84/31/780748431.db2.gz DZBTWPATHHQJHM-VIFPVBQESA-N 0 3 266.305 -1.752 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001265368750 780748531 /nfs/dbraw/zinc/74/85/31/780748531.db2.gz WZEHRYACRZRCNP-WPRPVWTQSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@]1(C)CCNC1=O)C1CC1 ZINC001265369677 780748543 /nfs/dbraw/zinc/74/85/43/780748543.db2.gz BTGFSQOSOFGPNP-QMTHXVAHSA-N 0 3 296.371 -1.257 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1CCN(CCO)C1 ZINC001265315096 780748609 /nfs/dbraw/zinc/74/86/09/780748609.db2.gz PENMIQAVECQBAR-RKDXNWHRSA-N 0 3 284.316 -1.843 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001265368749 780748730 /nfs/dbraw/zinc/74/87/30/780748730.db2.gz WZEHRYACRZRCNP-WCBMZHEXSA-N 0 3 284.360 -1.129 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001265368747 780748804 /nfs/dbraw/zinc/74/88/04/780748804.db2.gz WZEHRYACRZRCNP-PSASIEDQSA-N 0 3 284.360 -1.129 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H]1CCN(CCO)C1 ZINC001265315095 780748832 /nfs/dbraw/zinc/74/88/32/780748832.db2.gz PENMIQAVECQBAR-IUCAKERBSA-N 0 3 284.316 -1.843 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@H](NCC(N)=O)C2)CC1 ZINC001265449176 780749491 /nfs/dbraw/zinc/74/94/91/780749491.db2.gz BYTXLEGQEYJDBA-QMMMGPOBSA-N 0 3 268.317 -1.812 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001265435436 780749515 /nfs/dbraw/zinc/74/95/15/780749515.db2.gz FRMZKMCFJZVDDU-IUCAKERBSA-N 0 3 284.360 -1.177 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001265424141 780749705 /nfs/dbraw/zinc/74/97/05/780749705.db2.gz JMWJSVXESPHELM-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1)NC1CC1 ZINC001265441830 780749870 /nfs/dbraw/zinc/74/98/70/780749870.db2.gz VQOYMDHJVSBTHK-WDEREUQCSA-N 0 3 294.355 -1.408 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001265424556 780750225 /nfs/dbraw/zinc/75/02/25/780750225.db2.gz VIMIPRUMLJIELA-JTQLQIEISA-N 0 3 265.317 -1.111 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001265435435 780750254 /nfs/dbraw/zinc/75/02/54/780750254.db2.gz FRMZKMCFJZVDDU-BDAKNGLRSA-N 0 3 284.360 -1.177 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001265425590 780750473 /nfs/dbraw/zinc/75/04/73/780750473.db2.gz BFLKHDJKUYFYIU-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN COC[C@@H](O)CN1CCCC[C@@H]1CNC(=O)CC(N)=O ZINC001265640405 780753505 /nfs/dbraw/zinc/75/35/05/780753505.db2.gz CJLDGBGERNFCRH-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN COC[C@@H](O)CN1CCCC[C@H]1CNC(=O)CC(N)=O ZINC001265640406 780754341 /nfs/dbraw/zinc/75/43/41/780754341.db2.gz CJLDGBGERNFCRH-QWRGUYRKSA-N 0 3 287.360 -1.160 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCn1cncn1)C(N)=O ZINC001265752876 780755196 /nfs/dbraw/zinc/75/51/96/780755196.db2.gz PRGVCNZVIQNORD-DTWKUNHWSA-N 0 3 268.321 -1.364 20 0 CAADHN C[C@H](NC[C@@H]1CCCCN1C(=O)CC(N)=O)C(N)=O ZINC001265665990 780755211 /nfs/dbraw/zinc/75/52/11/780755211.db2.gz PMAHGFYVGNFEJL-IUCAKERBSA-N 0 3 270.333 -1.294 20 0 CAADHN CCOCC(=O)NC[C@@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001265748419 780755390 /nfs/dbraw/zinc/75/53/90/780755390.db2.gz KFDXWEHWGWEMMB-RKDXNWHRSA-N 0 3 271.317 -1.078 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@@H]1CNCC(=O)N1CCC1 ZINC001265679981 780755418 /nfs/dbraw/zinc/75/54/18/780755418.db2.gz JKZUOQDGOLBGKF-SNVBAGLBSA-N 0 3 282.344 -1.325 20 0 CAADHN CCOCC(=O)NC[C@H](C)N[C@H]1CCC(=O)NC1=O ZINC001265748418 780755709 /nfs/dbraw/zinc/75/57/09/780755709.db2.gz KFDXWEHWGWEMMB-IUCAKERBSA-N 0 3 271.317 -1.078 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001265757929 780755610 /nfs/dbraw/zinc/75/56/10/780755610.db2.gz YXKLNJAANFNYCS-NKWVEPMBSA-N 0 3 260.294 -1.690 20 0 CAADHN COCC(=O)NC[C@H](C)NCCNS(C)(=O)=O ZINC001265746209 780755656 /nfs/dbraw/zinc/75/56/56/780755656.db2.gz GKJFULHGBOJASY-QMMMGPOBSA-N 0 3 267.351 -1.724 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N[C@H]1CCC(=O)NC1=O ZINC001265750420 780755720 /nfs/dbraw/zinc/75/57/20/780755720.db2.gz LQKAXDYPTMWJQM-YUMQZZPRSA-N 0 3 295.303 -2.427 20 0 CAADHN CCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC000393127278 780755773 /nfs/dbraw/zinc/75/57/73/780755773.db2.gz UWHHMSKHUVXQIN-UHFFFAOYSA-N 0 3 268.317 -1.300 20 0 CAADHN C[C@H](CNC(=O)CCn1cncn1)N[C@H](C)C(N)=O ZINC001265752878 780755854 /nfs/dbraw/zinc/75/58/54/780755854.db2.gz PRGVCNZVIQNORD-RKDXNWHRSA-N 0 3 268.321 -1.364 20 0 CAADHN CC[C@@H](NC[C@H]1CCCCN1C(=O)C(N)=O)C(N)=O ZINC001265679586 780755927 /nfs/dbraw/zinc/75/59/27/780755927.db2.gz FXQKBIFDTRQJEN-RKDXNWHRSA-N 0 3 270.333 -1.294 20 0 CAADHN C[C@H](CNC(=O)c1ccn[nH]1)NCCNS(C)(=O)=O ZINC001265754267 780756007 /nfs/dbraw/zinc/75/60/07/780756007.db2.gz AMHQEXKGUDFNMX-MRVPVSSYSA-N 0 3 289.361 -1.333 20 0 CAADHN CCOCC(=O)NC[C@@H](C)N[C@H]1CCC(=O)NC1=O ZINC001265748416 780756013 /nfs/dbraw/zinc/75/60/13/780756013.db2.gz KFDXWEHWGWEMMB-BDAKNGLRSA-N 0 3 271.317 -1.078 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)NCC(N)=O ZINC001265761151 780756627 /nfs/dbraw/zinc/75/66/27/780756627.db2.gz OLUJAKAAQFYOKJ-DTWKUNHWSA-N 0 3 258.322 -2.103 20 0 CAADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)NCC(N)=O ZINC001265758872 780756766 /nfs/dbraw/zinc/75/67/66/780756766.db2.gz LDINRHUGIWCPLF-QMMMGPOBSA-N 0 3 253.306 -1.458 20 0 CAADHN C[C@@H](CNC(=O)CC(C)(C)O)NCCNS(C)(=O)=O ZINC001265771357 780756996 /nfs/dbraw/zinc/75/69/96/780756996.db2.gz UPIMNMMNPOTFFJ-VIFPVBQESA-N 0 3 295.405 -1.209 20 0 CAADHN C[C@@H](CNC(=O)c1cnnn1C)NCC(=O)N(C)C ZINC001265771293 780757104 /nfs/dbraw/zinc/75/71/04/780757104.db2.gz SUKYEYNHLHEEIH-QMMMGPOBSA-N 0 3 268.321 -1.389 20 0 CAADHN C[C@H](CNC(=O)CC(N)=O)NCC(=O)NC1CC1 ZINC001265761664 780757280 /nfs/dbraw/zinc/75/72/80/780757280.db2.gz YTTLCHQNUUPINY-SSDOTTSWSA-N 0 3 256.306 -1.765 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCn1ccnn1 ZINC001265769062 780757296 /nfs/dbraw/zinc/75/72/96/780757296.db2.gz NQAKORVMIHUPKI-VIFPVBQESA-N 0 3 268.321 -1.492 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001265773566 780757321 /nfs/dbraw/zinc/75/73/21/780757321.db2.gz YKCLUGZMLLVNQZ-DTWKUNHWSA-N 0 3 267.333 -1.069 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001265768435 780757330 /nfs/dbraw/zinc/75/73/30/780757330.db2.gz BDBCWPVLFMVPJM-BDAKNGLRSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](CNC(=O)CCc1ccn(C)n1)NCC(N)=O ZINC001265782429 780757340 /nfs/dbraw/zinc/75/73/40/780757340.db2.gz XSOKTFMESOOIPU-SECBINFHSA-N 0 3 267.333 -1.068 20 0 CAADHN C[C@H](CNC(=O)c1cnnn1C)NCC(=O)N(C)C ZINC001265771292 780757480 /nfs/dbraw/zinc/75/74/80/780757480.db2.gz SUKYEYNHLHEEIH-MRVPVSSYSA-N 0 3 268.321 -1.389 20 0 CAADHN CN(CCCNC(=O)[C@@H]1CCCN1C)CC(=O)NC(N)=O ZINC001265815245 780757934 /nfs/dbraw/zinc/75/79/34/780757934.db2.gz SWPMKAUUFDFKII-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001265808599 780758131 /nfs/dbraw/zinc/75/81/31/780758131.db2.gz HEGPDKDWEPZNIH-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001265785564 780758249 /nfs/dbraw/zinc/75/82/49/780758249.db2.gz DWEGHCRKDYFLAO-ZETCQYMHSA-N 0 3 258.322 -1.662 20 0 CAADHN CC[C@]1(C(=O)NC[C@H](C)NCC(=O)NC)CCNC1=O ZINC001265785653 780758265 /nfs/dbraw/zinc/75/82/65/780758265.db2.gz FORIXDGNXRUEJT-ZANVPECISA-N 0 3 284.360 -1.257 20 0 CAADHN Cc1noc(CCC(=O)NC[C@@H](C)NCC(N)=O)n1 ZINC001265806915 780758361 /nfs/dbraw/zinc/75/83/61/780758361.db2.gz PDPYITQEAXTVJM-SSDOTTSWSA-N 0 3 269.305 -1.110 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001265808601 780758373 /nfs/dbraw/zinc/75/83/73/780758373.db2.gz HEGPDKDWEPZNIH-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](CNC(=O)[C@H]1C[C@@H]1C)NCC(=O)NC(N)=O ZINC001265810746 780758458 /nfs/dbraw/zinc/75/84/58/780758458.db2.gz FLFOUVMJFSBLGI-RNJXMRFFSA-N 0 3 256.306 -1.068 20 0 CAADHN COc1cc(C(=O)NC[C@@H](C)NCC(N)=O)nn1C ZINC001265798568 780758562 /nfs/dbraw/zinc/75/85/62/780758562.db2.gz GIXYXPNIDSDALQ-SSDOTTSWSA-N 0 3 269.305 -1.378 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1C[C@@H]1C)NCC(=O)NC(N)=O ZINC001265810745 780758824 /nfs/dbraw/zinc/75/88/24/780758824.db2.gz FLFOUVMJFSBLGI-FXQIFTODSA-N 0 3 256.306 -1.068 20 0 CAADHN CN(CCCNC(=O)[C@H]1CCCN1C)CC(=O)NC(N)=O ZINC001265815246 780758942 /nfs/dbraw/zinc/75/89/42/780758942.db2.gz SWPMKAUUFDFKII-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@@H](CNC(=O)Cc1c[nH]cn1)N[C@H]1CCNC1=O ZINC001265830098 780759756 /nfs/dbraw/zinc/75/97/56/780759756.db2.gz NTOXFEMZHFBKBF-WPRPVWTQSA-N 0 3 265.317 -1.065 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)NCCCS(C)(=O)=O ZINC001265818369 780759811 /nfs/dbraw/zinc/75/98/11/780759811.db2.gz JOYQHCZTUBMNHJ-ZETCQYMHSA-N 0 3 265.335 -1.999 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@]1(C)CCNC1=O ZINC001265823401 780759829 /nfs/dbraw/zinc/75/98/29/780759829.db2.gz HHUHIPRBWQEOAQ-UFBFGSQYSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CNC(=O)C1(C(N)=O)CC1)NCC(=O)N1CCC1 ZINC001265816367 780759907 /nfs/dbraw/zinc/75/99/07/780759907.db2.gz UHOXQQMMYONUKU-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@]1(C)CCNC1=O ZINC001265823397 780760326 /nfs/dbraw/zinc/76/03/26/780760326.db2.gz HHUHIPRBWQEOAQ-PELKAZGASA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CNC(=O)CCc1cnccn1)NCC(N)=O ZINC001265849059 780761337 /nfs/dbraw/zinc/76/13/37/780761337.db2.gz SCMAFQHWTCLVET-SECBINFHSA-N 0 3 265.317 -1.011 20 0 CAADHN C[C@H](CNC(=O)CCCn1cncn1)NCC(N)=O ZINC001265848650 780761601 /nfs/dbraw/zinc/76/16/01/780761601.db2.gz NDYVKZDUPGRYHE-SECBINFHSA-N 0 3 268.321 -1.362 20 0 CAADHN C[C@@H](CNC(=O)CCc1cnccn1)NCC(N)=O ZINC001265849060 780761718 /nfs/dbraw/zinc/76/17/18/780761718.db2.gz SCMAFQHWTCLVET-VIFPVBQESA-N 0 3 265.317 -1.011 20 0 CAADHN C[C@@H](CNC(=O)c1cnon1)N[C@H]1CCNC1=O ZINC001265841932 780762044 /nfs/dbraw/zinc/76/20/44/780762044.db2.gz ZOXGHNVVIIGGHP-BQBZGAKWSA-N 0 3 253.262 -1.334 20 0 CAADHN C[C@H](CNC(=O)Cc1ncc[nH]1)N[C@@H](C)C(N)=O ZINC001265843503 780762258 /nfs/dbraw/zinc/76/22/58/780762258.db2.gz HRBMPMMIEPJHMJ-SFYZADRCSA-N 0 3 253.306 -1.080 20 0 CAADHN COCCOCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001265896006 780762686 /nfs/dbraw/zinc/76/26/86/780762686.db2.gz XXJLKZHQXUTIMJ-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)NCCF ZINC001265861901 780762766 /nfs/dbraw/zinc/76/27/66/780762766.db2.gz XVBXRRQEWGUJEF-MRVPVSSYSA-N 0 3 274.296 -1.056 20 0 CAADHN COCCC(=O)N1CC[C@H](NCCNS(C)(=O)=O)C1 ZINC001265883940 780762800 /nfs/dbraw/zinc/76/28/00/780762800.db2.gz ZUADHNOADSWCQV-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)NCCF ZINC001265867190 780763049 /nfs/dbraw/zinc/76/30/49/780763049.db2.gz LUTBDEZUIZQEJF-JGVFFNPUSA-N 0 3 267.326 -1.258 20 0 CAADHN CN(C)C(=O)CN(C)CCCNC(=O)c1nnc[nH]1 ZINC001265940957 780764664 /nfs/dbraw/zinc/76/46/64/780764664.db2.gz PTOLQUXJSFYSCM-UHFFFAOYSA-N 0 3 268.321 -1.055 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H]1CCCCN1C(=O)C(N)=O ZINC001266003247 780765867 /nfs/dbraw/zinc/76/58/67/780765867.db2.gz YJTSFHJTHNSZBG-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN O=C(CNC[C@@H](O)CN1CCOCC1)NCC(F)(F)F ZINC000393700410 780766045 /nfs/dbraw/zinc/76/60/45/780766045.db2.gz KWLBECIYSSLLIQ-SECBINFHSA-N 0 3 299.293 -1.052 20 0 CAADHN CO[C@H](C)C(=O)N(C)CCOCCN[C@H]1CCNC1=O ZINC001279393366 780773259 /nfs/dbraw/zinc/77/32/59/780773259.db2.gz RZYPKEATNBNLQJ-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CO[C@@H](C)C(=O)N(C)CCOCCN[C@@H]1CCNC1=O ZINC001279393368 780773649 /nfs/dbraw/zinc/77/36/49/780773649.db2.gz RZYPKEATNBNLQJ-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)C(=O)N[C@]1(CO)CCCN(CC2CC2)C1 ZINC001279509834 780774056 /nfs/dbraw/zinc/77/40/56/780774056.db2.gz OFPDQULSIBHSJF-GFCCVEGCSA-N 0 3 255.318 -1.175 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1cocn1 ZINC001279391563 780774122 /nfs/dbraw/zinc/77/41/22/780774122.db2.gz BLTWDXWAASZYDW-UHFFFAOYSA-N 0 3 270.289 -1.162 20 0 CAADHN COCC(=O)N(CCO)CCN[C@H]1CCC(=O)NC1=O ZINC001279630569 780774830 /nfs/dbraw/zinc/77/48/30/780774830.db2.gz GBPQUOLBOIWKPI-VIFPVBQESA-N 0 3 287.316 -2.152 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)CC(N)=O ZINC001279672121 780775125 /nfs/dbraw/zinc/77/51/25/780775125.db2.gz CKYIZALKGWAFHJ-UHFFFAOYSA-N 0 3 260.294 -2.982 20 0 CAADHN COC[C@H](O)CN1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001279576667 780775264 /nfs/dbraw/zinc/77/52/64/780775264.db2.gz OYYLUSXFIIEFKI-VWYCJHECSA-N 0 3 285.344 -1.456 20 0 CAADHN CC(=O)N(CCO)CCNCC(=O)NC[C@@H]1CCCO1 ZINC001279630945 780775360 /nfs/dbraw/zinc/77/53/60/780775360.db2.gz MUISOHQLSDFWPA-LBPRGKRZSA-N 0 3 287.360 -1.288 20 0 CAADHN O=C(CNCCN(CCO)C(=O)c1cc[nH]n1)NC1CC1 ZINC001279660559 780775700 /nfs/dbraw/zinc/77/57/00/780775700.db2.gz MONTWZADUTVHHN-UHFFFAOYSA-N 0 3 295.343 -1.288 20 0 CAADHN CCCN(C)CC(=O)NC1CC(CNC(=O)C(N)=O)C1 ZINC001280069676 780779181 /nfs/dbraw/zinc/77/91/81/780779181.db2.gz ZJGVGWDRYBOWJE-UHFFFAOYSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](C(=O)NCC1CC(NC(=O)C(N)=O)C1)N(C)C ZINC001280099814 780779353 /nfs/dbraw/zinc/77/93/53/780779353.db2.gz IQVZHMFJSKWWSA-RTBKNWGFSA-N 0 3 284.360 -1.177 20 0 CAADHN NC(=O)CC(=O)NCC1(NCC(=O)N2CCC2)CCC1 ZINC001280473584 780781306 /nfs/dbraw/zinc/78/13/06/780781306.db2.gz XETFUUDEFRESKX-UHFFFAOYSA-N 0 3 282.344 -1.277 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cn2ncnn2)CCC1 ZINC001280480553 780781655 /nfs/dbraw/zinc/78/16/55/780781655.db2.gz SRHSBIYFCUTWAS-UHFFFAOYSA-N 0 3 267.293 -2.213 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)CC(N)=O)CCC1 ZINC001280470985 780781824 /nfs/dbraw/zinc/78/18/24/780781824.db2.gz KDKJDYJIHQAKSU-UHFFFAOYSA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280571091 780783579 /nfs/dbraw/zinc/78/35/79/780783579.db2.gz RNKIUERFZAAVHN-DTWKUNHWSA-N 0 3 286.332 -2.187 20 0 CAADHN CC(C)(C)C(=O)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001280564888 780784106 /nfs/dbraw/zinc/78/41/06/780784106.db2.gz BJAPVFLOPDGFLM-VIFPVBQESA-N 0 3 285.344 -1.096 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280571093 780784982 /nfs/dbraw/zinc/78/49/82/780784982.db2.gz RNKIUERFZAAVHN-IUCAKERBSA-N 0 3 286.332 -2.187 20 0 CAADHN CCCN(C)CC(=O)N1CC([C@H](C)NC(=O)C(N)=O)C1 ZINC001280648901 780785360 /nfs/dbraw/zinc/78/53/60/780785360.db2.gz MHANDJIKXCBWIV-VIFPVBQESA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)C1CN(C(=O)CN2CCCC2)C1 ZINC001280647537 780785370 /nfs/dbraw/zinc/78/53/70/780785370.db2.gz GWJFKPVZJHODQX-SECBINFHSA-N 0 3 282.344 -1.469 20 0 CAADHN CC[C@@H](C(=O)N1CC([C@H](C)NC(=O)C(N)=O)C1)N(C)C ZINC001280651512 780786318 /nfs/dbraw/zinc/78/63/18/780786318.db2.gz VOZSNCNNTYPIAP-WPRPVWTQSA-N 0 3 284.360 -1.225 20 0 CAADHN CC[C@H](C(=O)N1CC([C@@H](C)NC(=O)C(N)=O)C1)N(C)C ZINC001280651509 780786497 /nfs/dbraw/zinc/78/64/97/780786497.db2.gz VOZSNCNNTYPIAP-PSASIEDQSA-N 0 3 284.360 -1.225 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001280772871 780787320 /nfs/dbraw/zinc/78/73/20/780787320.db2.gz MKELMLIQOPRTHK-MGCOHNPYSA-N 0 3 284.360 -1.177 20 0 CAADHN CCN(CC)CC(=O)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001280773191 780787665 /nfs/dbraw/zinc/78/76/65/780787665.db2.gz OKDHHLARIDIJBZ-MGCOHNPYSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)C(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001281043900 780790977 /nfs/dbraw/zinc/79/09/77/780790977.db2.gz AOPOYRRDTXIAPU-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CC[C@@H](C(=O)N[C@H](C)CN(C)C(=O)C(N)=O)N(C)C ZINC001281045337 780790995 /nfs/dbraw/zinc/79/09/95/780790995.db2.gz TVSPFVUKKDAQDU-BDAKNGLRSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@@H](CN(C)C(=O)C(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001281043901 780791011 /nfs/dbraw/zinc/79/10/11/780791011.db2.gz AOPOYRRDTXIAPU-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)N(C)CC(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O ZINC001281256151 780800194 /nfs/dbraw/zinc/80/01/94/780800194.db2.gz IAPVCIQOZINBIV-VIFPVBQESA-N 0 3 288.348 -2.253 20 0 CAADHN Cn1nnc(C(=O)N2CCC(O)(CNCCF)CC2)n1 ZINC001281626273 780803356 /nfs/dbraw/zinc/80/33/56/780803356.db2.gz FCNPCZRAXGBZNO-UHFFFAOYSA-N 0 3 286.311 -1.264 20 0 CAADHN Cc1oncc1CNCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001281627377 780804409 /nfs/dbraw/zinc/80/44/09/780804409.db2.gz ONJIZUYEIWXMHE-UHFFFAOYSA-N 0 3 296.327 -1.089 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001281799221 780806380 /nfs/dbraw/zinc/80/63/80/780806380.db2.gz AKCIRNUTBNVRCF-SECBINFHSA-N 0 3 273.333 -1.814 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@@H]1CCCNC1=O ZINC001281808348 780806464 /nfs/dbraw/zinc/80/64/64/780806464.db2.gz IWFVRYPXIBRGDW-LLVKDONJSA-N 0 3 299.371 -1.552 20 0 CAADHN NC(=O)C(=O)NCCCCCN1CCN(CCO)CC1 ZINC001281788874 780807099 /nfs/dbraw/zinc/80/70/99/780807099.db2.gz PVQFRXNOBPBOSL-UHFFFAOYSA-N 0 3 286.376 -1.632 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001281806931 780807280 /nfs/dbraw/zinc/80/72/80/780807280.db2.gz ZQEDDJVBLROCHM-WDEREUQCSA-N 0 3 299.371 -1.554 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@H]1CNCC(=O)NC1CC1 ZINC001281881421 780807841 /nfs/dbraw/zinc/80/78/41/780807841.db2.gz LGFIUMLQZLHWEH-JTQLQIEISA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)c1nc[n-]n1 ZINC001281889137 780808154 /nfs/dbraw/zinc/80/81/54/780808154.db2.gz VNZNZAFKFDUXPP-QMMMGPOBSA-N 0 3 266.305 -1.126 20 0 CAADHN CN(CCOCCO)C[C@@H]1CCCN1C(=O)C(N)=O ZINC001281957831 780809974 /nfs/dbraw/zinc/80/99/74/780809974.db2.gz VEHOZTDWOBTEKK-JTQLQIEISA-N 0 3 273.333 -1.597 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001282095345 780811928 /nfs/dbraw/zinc/81/19/28/780811928.db2.gz HATDKBGURLIMDO-IUCAKERBSA-N 0 3 267.333 -1.069 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)[C@H](C)NCC(=O)N(C)C1CC1 ZINC001282186612 780811970 /nfs/dbraw/zinc/81/19/70/780811970.db2.gz WANYJKWESBXDBY-JGVFFNPUSA-N 0 3 270.333 -1.425 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC(N)=O ZINC001282116511 780812161 /nfs/dbraw/zinc/81/21/61/780812161.db2.gz ZECQGDBZSMCOKH-DTWKUNHWSA-N 0 3 272.349 -1.131 20 0 CAADHN Cc1c(C(=O)N[C@@H](C)[C@H](C)NCC(N)=O)nnn1C ZINC001282109408 780812247 /nfs/dbraw/zinc/81/22/47/780812247.db2.gz BUZYJVNYBPXHAC-BQBZGAKWSA-N 0 3 268.321 -1.295 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001282168861 780812351 /nfs/dbraw/zinc/81/23/51/780812351.db2.gz SJVPVYDKLFFNAQ-RNFRBKRXSA-N 0 3 269.305 -1.293 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cc[n+]([O-])cc1 ZINC001282089382 780812434 /nfs/dbraw/zinc/81/24/34/780812434.db2.gz YPDREDDWZSZRTL-BDAKNGLRSA-N 0 3 266.301 -1.098 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001282168853 780812875 /nfs/dbraw/zinc/81/28/75/780812875.db2.gz SJVPVYDKLFFNAQ-BQBZGAKWSA-N 0 3 269.305 -1.293 20 0 CAADHN C[C@H](NCC(=O)N(C)C1CC1)[C@H](C)NC(=O)C(N)=O ZINC001282186614 780812986 /nfs/dbraw/zinc/81/29/86/780812986.db2.gz WANYJKWESBXDBY-YUMQZZPRSA-N 0 3 270.333 -1.425 20 0 CAADHN Cc1c(C(=O)N[C@H](C)[C@@H](C)NCC(N)=O)nnn1C ZINC001282109412 780813029 /nfs/dbraw/zinc/81/30/29/780813029.db2.gz BUZYJVNYBPXHAC-RNFRBKRXSA-N 0 3 268.321 -1.295 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)[C@H](C)NC(=O)CC(N)=O ZINC001282116508 780813213 /nfs/dbraw/zinc/81/32/13/780813213.db2.gz ZECQGDBZSMCOKH-BDAKNGLRSA-N 0 3 272.349 -1.131 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)Cc1cncn1C ZINC001282220326 780813747 /nfs/dbraw/zinc/81/37/47/780813747.db2.gz PFCFIFUDRWSHAF-RKDXNWHRSA-N 0 3 267.333 -1.069 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001282231185 780814247 /nfs/dbraw/zinc/81/42/47/780814247.db2.gz VLNXDRFBIFHMIH-YUMQZZPRSA-N 0 3 284.316 -1.897 20 0 CAADHN C[C@H](CNC(=O)CC(N)=O)N(C)CCN1C(=O)CNC1=O ZINC001282368330 780814485 /nfs/dbraw/zinc/81/44/85/780814485.db2.gz WHEKHDLMERJJRF-MRVPVSSYSA-N 0 3 299.331 -2.150 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001282227774 780815207 /nfs/dbraw/zinc/81/52/07/780815207.db2.gz JQDUMLFORKGILT-HTQZYQBOSA-N 0 3 299.331 -2.233 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001282227779 780815232 /nfs/dbraw/zinc/81/52/32/780815232.db2.gz JQDUMLFORKGILT-YUMQZZPRSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)CCO ZINC001282426687 780815732 /nfs/dbraw/zinc/81/57/32/780815732.db2.gz UPLUGFWTOLJYPW-UWVGGRQHSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)CCO ZINC001282397284 780816120 /nfs/dbraw/zinc/81/61/20/780816120.db2.gz CMMWTHPTUJZSEQ-VHSXEESVSA-N 0 3 257.334 -1.107 20 0 CAADHN CC(C)COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)C(N)=O ZINC001282448471 780816604 /nfs/dbraw/zinc/81/66/04/780816604.db2.gz CAVHPOLUVOYTJH-QWRGUYRKSA-N 0 3 289.376 -1.058 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)CC(N)=O)[C@@H]2C1 ZINC001282844048 780825072 /nfs/dbraw/zinc/82/50/72/780825072.db2.gz GQAAQHBGIMBVRY-DOLQZWNJSA-N 0 3 282.344 -1.580 20 0 CAADHN COC(=O)NCC(=O)NCCNC(=O)CN(C)C(C)C ZINC001282929217 780831540 /nfs/dbraw/zinc/83/15/40/780831540.db2.gz YSXUAXCAULSBMW-UHFFFAOYSA-N 0 3 288.348 -1.085 20 0 CAADHN CC1(C)CCN(CC(=O)NCCNC(=O)CC(N)=O)C1 ZINC001282953470 780834511 /nfs/dbraw/zinc/83/45/11/780834511.db2.gz KPOWGBYFDSXYON-UHFFFAOYSA-N 0 3 284.360 -1.174 20 0 CAADHN CN(C)C1(C(=O)NCCNC(=O)[C@H]2COC(=O)N2)CCC1 ZINC001282992997 780837973 /nfs/dbraw/zinc/83/79/73/780837973.db2.gz WNPRFYCFNZHLRI-SECBINFHSA-N 0 3 298.343 -1.189 20 0 CAADHN CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001282994154 780838611 /nfs/dbraw/zinc/83/86/11/780838611.db2.gz FRTXSXNRYWJXIJ-VIFPVBQESA-N 0 3 286.332 -1.333 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)Cn1nccn1 ZINC001283029486 780840450 /nfs/dbraw/zinc/84/04/50/780840450.db2.gz PGOLATYOTFLQMU-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@H]1CN(C)C(=O)N1)N(C)C ZINC001283138992 780844707 /nfs/dbraw/zinc/84/47/07/780844707.db2.gz OSPIBDVIVACYPR-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001283153982 780845543 /nfs/dbraw/zinc/84/55/43/780845543.db2.gz SKWYQYIOHDBNRI-VHSXEESVSA-N 0 3 297.359 -1.758 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001283153980 780846029 /nfs/dbraw/zinc/84/60/29/780846029.db2.gz SKWYQYIOHDBNRI-NXEZZACHSA-N 0 3 297.359 -1.758 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001283153981 780846094 /nfs/dbraw/zinc/84/60/94/780846094.db2.gz SKWYQYIOHDBNRI-UWVGGRQHSA-N 0 3 297.359 -1.758 20 0 CAADHN CC(C)N(C)CC(=O)NCCCNC(=O)CC(N)=O ZINC001283211367 780847758 /nfs/dbraw/zinc/84/77/58/780847758.db2.gz JXHPQIHGJZUEGD-UHFFFAOYSA-N 0 3 272.349 -1.176 20 0 CAADHN CC[C@H](C(=O)NCCCNC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001283288032 780848385 /nfs/dbraw/zinc/84/83/85/780848385.db2.gz SIZMGVYCYAFKTA-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CN(C(=O)CC(N)=O)[C@@H](CNCC(=O)N1CCC1)C1CC1 ZINC001283494571 780853365 /nfs/dbraw/zinc/85/33/65/780853365.db2.gz WANCDRVCZZGXQY-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C(=O)CC(N)=O)[C@H](CNCC(=O)N1CCC1)C1CC1 ZINC001283494569 780853557 /nfs/dbraw/zinc/85/35/57/780853557.db2.gz WANCDRVCZZGXQY-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CCCN(C)CC(=O)N1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001283468690 780853807 /nfs/dbraw/zinc/85/38/07/780853807.db2.gz LUBPHSNBCGPJIT-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CN(C)C(=O)CC(N)=O ZINC001283592172 780854356 /nfs/dbraw/zinc/85/43/56/780854356.db2.gz RRCPNLGDYYRLNH-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@@H](CN(C)C(=O)CC(N)=O)NCC(=O)NCC1CC1 ZINC001283591494 780854472 /nfs/dbraw/zinc/85/44/72/780854472.db2.gz LKDOASNOCBDIIA-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C(=O)[C@@H]1CCNC1=O)[C@H](CNCC(N)=O)C1CC1 ZINC001283522644 780854661 /nfs/dbraw/zinc/85/46/61/780854661.db2.gz ZDYZWHHIHUZHBO-NXEZZACHSA-N 0 3 282.344 -1.566 20 0 CAADHN CCCNC(=O)CN[C@H](C)CN(C)C(=O)CC(N)=O ZINC001283592171 780854738 /nfs/dbraw/zinc/85/47/38/780854738.db2.gz RRCPNLGDYYRLNH-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C1CC1)N(C)C(=O)C(N)=O ZINC001283532131 780854823 /nfs/dbraw/zinc/85/48/23/780854823.db2.gz KDEUCKQUYVWHRV-CBAPKCEASA-N 0 3 270.333 -1.567 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)C(N)=O ZINC001283532802 780854993 /nfs/dbraw/zinc/85/49/93/780854993.db2.gz PJODWSXOLOHTOJ-SNVBAGLBSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](CN(C)C(=O)CC(N)=O)N[C@@H]1CCCNC1=O ZINC001283593109 780855147 /nfs/dbraw/zinc/85/51/47/780855147.db2.gz YNHIGIGXSQFIGT-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)NCC(N)=O ZINC001283650896 780855784 /nfs/dbraw/zinc/85/57/84/780855784.db2.gz AFISNEQDZKIKPL-REIXXSIJSA-N 0 3 255.318 -1.199 20 0 CAADHN COC[C@@H](OC)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001283663844 780856054 /nfs/dbraw/zinc/85/60/54/780856054.db2.gz SAJPJRLONDSNQY-DTWKUNHWSA-N 0 3 261.322 -1.430 20 0 CAADHN COC[C@H](OC)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001283663845 780856147 /nfs/dbraw/zinc/85/61/47/780856147.db2.gz SAJPJRLONDSNQY-IUCAKERBSA-N 0 3 261.322 -1.430 20 0 CAADHN C[C@H](CN(C)C(=O)Cc1cncn1C)NCC(N)=O ZINC001283701796 780857495 /nfs/dbraw/zinc/85/74/95/780857495.db2.gz GCTKEZPMLLHACW-SECBINFHSA-N 0 3 267.333 -1.116 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001283725557 780857769 /nfs/dbraw/zinc/85/77/69/780857769.db2.gz XSVBRUNLDVBYJT-DTWKUNHWSA-N 0 3 298.343 -1.778 20 0 CAADHN CC(=O)NC[C@H](CO)NC[C@@H]1CCS(=O)(=O)C1 ZINC001283722316 780857850 /nfs/dbraw/zinc/85/78/50/780857850.db2.gz GHOLCNSXSNBWRU-VHSXEESVSA-N 0 3 264.347 -1.492 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnon1)N[C@@H]1CCC(=O)NC1=O ZINC001283689505 780858001 /nfs/dbraw/zinc/85/80/01/780858001.db2.gz BHUUAZOEZAAUNR-HTQZYQBOSA-N 0 3 295.299 -1.075 20 0 CAADHN CC(C)=CC(=O)NC[C@@H](CO)NCCN1C(=O)CNC1=O ZINC001283734747 780858546 /nfs/dbraw/zinc/85/85/46/780858546.db2.gz XFYVANQCEQVENZ-JTQLQIEISA-N 0 3 298.343 -1.429 20 0 CAADHN CC(C)OCCN[C@@H](CO)CNC(=O)c1cnnn1C ZINC001283744109 780860198 /nfs/dbraw/zinc/86/01/98/780860198.db2.gz JYOGSUWQQTXGBV-SNVBAGLBSA-N 0 3 285.348 -1.080 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](CO)NCCC(F)(F)F ZINC001283746168 780862340 /nfs/dbraw/zinc/86/23/40/780862340.db2.gz MMNMJRIOOAWIKG-LURJTMIESA-N 0 3 271.239 -1.119 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](CO)NCC=C(C)C ZINC001283765382 780863038 /nfs/dbraw/zinc/86/30/38/780863038.db2.gz SUMWUZZIRXNHOI-JTQLQIEISA-N 0 3 272.349 -1.052 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](CO)NCC=C(C)C ZINC001283765383 780863694 /nfs/dbraw/zinc/86/36/94/780863694.db2.gz SUMWUZZIRXNHOI-SNVBAGLBSA-N 0 3 272.349 -1.052 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C[C@H]1CCC(=O)NC1 ZINC001283766114 780863913 /nfs/dbraw/zinc/86/39/13/780863913.db2.gz ZXIMPGACYAOGRT-GHMZBOCLSA-N 0 3 287.360 -1.384 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135219670 781352174 /nfs/dbraw/zinc/35/21/74/781352174.db2.gz SJMSGSGZUSWIPF-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135218052 781352276 /nfs/dbraw/zinc/35/22/76/781352276.db2.gz CYJCLQMXLKPCPC-BDAKNGLRSA-N 0 3 270.333 -1.505 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001135218322 781352412 /nfs/dbraw/zinc/35/24/12/781352412.db2.gz GRIKWMNRVXINFD-RKDXNWHRSA-N 0 3 296.327 -1.834 20 0 CAADHN C[C@H](NCCNC(=O)CCNC(=O)C1CCC1)C(N)=O ZINC001135194681 781352516 /nfs/dbraw/zinc/35/25/16/781352516.db2.gz SQNNABZSFFIHEM-VIFPVBQESA-N 0 3 284.360 -1.128 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NCCN[C@H]1CCNC1=O ZINC001135218836 781352571 /nfs/dbraw/zinc/35/25/71/781352571.db2.gz LUVIBVZYOWAMKK-IUCAKERBSA-N 0 3 268.317 -1.751 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)C[C@@H]2CCC(=O)N2)C1=O ZINC001135218745 781352715 /nfs/dbraw/zinc/35/27/15/781352715.db2.gz LCASYTUQPUXFCT-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCC(=O)N1)C(=O)N(C)C ZINC001135218509 781352888 /nfs/dbraw/zinc/35/28/88/781352888.db2.gz HYYRHHWKRPNMDS-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCC(=O)N1)C(=O)NC(N)=O ZINC001135231905 781353507 /nfs/dbraw/zinc/35/35/07/781353507.db2.gz QRJMTZFBAZFKQL-SFYZADRCSA-N 0 3 299.331 -2.056 20 0 CAADHN O=C(CNCCNC(=O)C[C@@H]1CCC(=O)N1)NC1CC1 ZINC001135220120 781353881 /nfs/dbraw/zinc/35/38/81/781353881.db2.gz WBPZLOOCSMXJPJ-JTQLQIEISA-N 0 3 282.344 -1.361 20 0 CAADHN CN(C(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001135222836 781354063 /nfs/dbraw/zinc/35/40/63/781354063.db2.gz MJVHTTFLXQXTQL-SNVBAGLBSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc2n[nH]c(=O)n2c1)C(N)=O ZINC001135242030 781354125 /nfs/dbraw/zinc/35/41/25/781354125.db2.gz SXOVOSNJZFGYOZ-SSDOTTSWSA-N 0 3 292.299 -1.372 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@@H]1CCC(=O)N1)C(N)=O ZINC001135223237 781354493 /nfs/dbraw/zinc/35/44/93/781354493.db2.gz PNRXSCMXXPMDAW-IUCAKERBSA-N 0 3 270.333 -1.375 20 0 CAADHN O=C(CNCCNC(=O)C[C@H]1CCC(=O)N1)NCC1CC1 ZINC001135223874 781354680 /nfs/dbraw/zinc/35/46/80/781354680.db2.gz ZYEPQLKTDJRLJG-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135219864 781354752 /nfs/dbraw/zinc/35/47/52/781354752.db2.gz UUEMYCMHTNMHPQ-SECBINFHSA-N 0 3 270.333 -1.503 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCC(=O)N1)C(=O)NC(N)=O ZINC001135231904 781354763 /nfs/dbraw/zinc/35/47/63/781354763.db2.gz QRJMTZFBAZFKQL-JGVFFNPUSA-N 0 3 299.331 -2.056 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc2n[nH]c(=O)n2c1)C(N)=O ZINC001135242031 781354870 /nfs/dbraw/zinc/35/48/70/781354870.db2.gz SXOVOSNJZFGYOZ-ZETCQYMHSA-N 0 3 292.299 -1.372 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@@H]2CCC(=O)N2)C1=O ZINC001135223625 781355025 /nfs/dbraw/zinc/35/50/25/781355025.db2.gz VIZPGFYCPXAYDR-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001135250020 781355713 /nfs/dbraw/zinc/35/57/13/781355713.db2.gz IWJDWJLONKWDOO-MRVPVSSYSA-N 0 3 296.327 -1.976 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H]2CCCNC2=O)CC1 ZINC001135249784 781355732 /nfs/dbraw/zinc/35/57/32/781355732.db2.gz BVMJPOANRZGJKZ-VIFPVBQESA-N 0 3 282.344 -1.503 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H](C)C(N)=O)CC1 ZINC001135250870 781355845 /nfs/dbraw/zinc/35/58/45/781355845.db2.gz XJFHAQUKWLNPAP-SSDOTTSWSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)NC(C)C)CC1 ZINC001135250234 781356022 /nfs/dbraw/zinc/35/60/22/781356022.db2.gz LVQGURCNLWZZCJ-UHFFFAOYSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H]2CCCNC2=O)CC1 ZINC001135249783 781356073 /nfs/dbraw/zinc/35/60/73/781356073.db2.gz BVMJPOANRZGJKZ-SECBINFHSA-N 0 3 282.344 -1.503 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)NCC(C)C)CC1 ZINC001135253892 781356092 /nfs/dbraw/zinc/35/60/92/781356092.db2.gz NWTRKIYKABNBOD-UHFFFAOYSA-N 0 3 298.387 -1.009 20 0 CAADHN Cc1cc(C(=O)NCCNCC(N)=O)nc(C)n1 ZINC001135265359 781356130 /nfs/dbraw/zinc/35/61/30/781356130.db2.gz BAXBGXPIZZGABW-UHFFFAOYSA-N 0 3 251.290 -1.102 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(-n2ccnc2)nn1 ZINC001135260795 781356601 /nfs/dbraw/zinc/35/66/01/781356601.db2.gz VALKDJUQKAZGKB-UHFFFAOYSA-N 0 3 289.299 -1.533 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)NC2CC2)CC1 ZINC001135250698 781356827 /nfs/dbraw/zinc/35/68/27/781356827.db2.gz UOSXDQFMAJRGCD-UHFFFAOYSA-N 0 3 282.344 -1.503 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H](C)C(N)=O)CC1 ZINC001135250872 781356857 /nfs/dbraw/zinc/35/68/57/781356857.db2.gz XJFHAQUKWLNPAP-ZETCQYMHSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H](C)C(=O)N(C)C)CC1 ZINC001135253978 781356877 /nfs/dbraw/zinc/35/68/77/781356877.db2.gz SFKDJXNASGPORL-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H](C)C(=O)NC2CC2)CC1 ZINC001135263101 781357083 /nfs/dbraw/zinc/35/70/83/781357083.db2.gz KOXQGRLODKMHRY-VIFPVBQESA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C1(C(=O)NC)CC1 ZINC001135253553 781357189 /nfs/dbraw/zinc/35/71/89/781357189.db2.gz HSLCLVABESSMIU-QMMMGPOBSA-N 0 3 270.333 -1.647 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@H]2CCCNC2=O)n1 ZINC001135282932 781357511 /nfs/dbraw/zinc/35/75/11/781357511.db2.gz BAHCDYFIFOLZIP-QMMMGPOBSA-N 0 3 266.305 -1.587 20 0 CAADHN NC(=O)CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135269165 781357631 /nfs/dbraw/zinc/35/76/31/781357631.db2.gz LYOMEYKZMXTGFY-UHFFFAOYSA-N 0 3 256.262 -2.770 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1cnn(C)n1 ZINC001135282933 781357804 /nfs/dbraw/zinc/35/78/04/781357804.db2.gz BBKDBRLXCHHHIY-UHFFFAOYSA-N 0 3 268.321 -1.341 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnn(C)n1 ZINC001135284092 781358085 /nfs/dbraw/zinc/35/80/85/781358085.db2.gz BPRVTCJJDDAVNR-ZETCQYMHSA-N 0 3 254.294 -1.731 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@@H]2CCCN(C)C2=O)n1 ZINC001135283173 781358215 /nfs/dbraw/zinc/35/82/15/781358215.db2.gz MQCGKYWTHJQJEP-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN Cn1ncc(C(=O)NCCNCC(=O)NCC2CC2)n1 ZINC001135283250 781358305 /nfs/dbraw/zinc/35/83/05/781358305.db2.gz PRTXMGLLTKGZLX-UHFFFAOYSA-N 0 3 280.332 -1.339 20 0 CAADHN Cn1cc(CNCCNC(=O)C2CC(=O)NC(=O)C2)cn1 ZINC001135268816 781358462 /nfs/dbraw/zinc/35/84/62/781358462.db2.gz HFQCPBDETNGNIF-UHFFFAOYSA-N 0 3 293.327 -1.321 20 0 CAADHN CNC(=O)CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135269233 781358471 /nfs/dbraw/zinc/35/84/71/781358471.db2.gz NGVWCHPZQDWLCI-UHFFFAOYSA-N 0 3 270.289 -2.509 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1cnn(C)n1 ZINC001135283198 781358530 /nfs/dbraw/zinc/35/85/30/781358530.db2.gz NXIKAPOFUDXYRJ-UHFFFAOYSA-N 0 3 298.347 -1.713 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135268576 781358542 /nfs/dbraw/zinc/35/85/42/781358542.db2.gz DYUAFQWVKHVDQZ-UHFFFAOYSA-N 0 3 284.316 -2.167 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)C1CC(=O)NC(=O)C1 ZINC001135268573 781358665 /nfs/dbraw/zinc/35/86/65/781358665.db2.gz DXROGVKCJMODPH-SECBINFHSA-N 0 3 296.327 -1.976 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135270264 781358755 /nfs/dbraw/zinc/35/87/55/781358755.db2.gz VZNXQUTWNCAHLX-SSDOTTSWSA-N 0 3 284.316 -2.121 20 0 CAADHN Cn1ncc(C(=O)NCCNCC(=O)N2CCCC2)n1 ZINC001135283141 781358872 /nfs/dbraw/zinc/35/88/72/781358872.db2.gz LELNJAZGJSFAFP-UHFFFAOYSA-N 0 3 280.332 -1.243 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cnn(C)n1 ZINC001135283285 781358898 /nfs/dbraw/zinc/35/88/98/781358898.db2.gz RGIZCFIUIIXPQA-UHFFFAOYSA-N 0 3 297.319 -2.020 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)C1CC(=O)NC(=O)C1 ZINC001135268574 781359060 /nfs/dbraw/zinc/35/90/60/781359060.db2.gz DXROGVKCJMODPH-VIFPVBQESA-N 0 3 296.327 -1.976 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cnn(C)n1 ZINC001135283019 781359140 /nfs/dbraw/zinc/35/91/40/781359140.db2.gz GEKVILXBRQFVFA-UHFFFAOYSA-N 0 3 254.294 -1.777 20 0 CAADHN Cn1ncc(C(=O)NCCNCC(=O)NC2CC2)n1 ZINC001135283289 781359153 /nfs/dbraw/zinc/35/91/53/781359153.db2.gz RMAUPYVINHUIBS-UHFFFAOYSA-N 0 3 266.305 -1.587 20 0 CAADHN CC[C@H](NCCNC(=O)c1cnn(C)n1)C(N)=O ZINC001135284460 781359467 /nfs/dbraw/zinc/35/94/67/781359467.db2.gz SMEZMYDKCHVSSR-ZETCQYMHSA-N 0 3 254.294 -1.602 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)n1 ZINC001135287078 781360278 /nfs/dbraw/zinc/36/02/78/781360278.db2.gz VUCIUWQPSOEWQS-SSDOTTSWSA-N 0 3 297.319 -2.021 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)c2cnn(C)n2)C1=O ZINC001135284402 781360297 /nfs/dbraw/zinc/36/02/97/781360297.db2.gz OXKIIFAPACDFIW-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn(C)n1)C(=O)N(C)C ZINC001135284295 781360679 /nfs/dbraw/zinc/36/06/79/781360679.db2.gz KLHRSQCZPONENU-QMMMGPOBSA-N 0 3 268.321 -1.389 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn(C)n1)C(=O)N(C)C ZINC001135284294 781360850 /nfs/dbraw/zinc/36/08/50/781360850.db2.gz KLHRSQCZPONENU-MRVPVSSYSA-N 0 3 268.321 -1.389 20 0 CAADHN C[C@H](NCCNC(=O)CCN1CCOCC1)C(N)=O ZINC001135340492 781361137 /nfs/dbraw/zinc/36/11/37/781361137.db2.gz BQOBQCIYKDMUNY-JTQLQIEISA-N 0 3 272.349 -1.712 20 0 CAADHN CC1(C(=O)NCCNCC(=O)NC(N)=O)CCOCC1 ZINC001135356909 781362548 /nfs/dbraw/zinc/36/25/48/781362548.db2.gz MYYKVWWOUKXEKB-UHFFFAOYSA-N 0 3 286.332 -1.296 20 0 CAADHN NC(=O)CNCCNC(=O)COc1cccnc1 ZINC001135344735 781362797 /nfs/dbraw/zinc/36/27/97/781362797.db2.gz XOCNHYGXCLLWSE-UHFFFAOYSA-N 0 3 252.274 -1.349 20 0 CAADHN CC[C@@H](NCCNC(=O)CCN1CCOCC1)C(N)=O ZINC001135352521 781363672 /nfs/dbraw/zinc/36/36/72/781363672.db2.gz FZBXWTQLZBUVIB-LLVKDONJSA-N 0 3 286.376 -1.322 20 0 CAADHN O=C(CCN1CCOCC1)NCCN[C@H]1CCCNC1=O ZINC001135352199 781363402 /nfs/dbraw/zinc/36/34/02/781363402.db2.gz CPIPBRWTTBIKOL-LBPRGKRZSA-N 0 3 298.387 -1.307 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCN1CCOCC1 ZINC001135350374 781363587 /nfs/dbraw/zinc/36/35/87/781363587.db2.gz UQJGGRZQADEAMU-UHFFFAOYSA-N 0 3 286.376 -1.449 20 0 CAADHN CC(C)(C(=O)NCCN[C@H]1CCNC1=O)N1CCOCC1 ZINC001135347196 781363707 /nfs/dbraw/zinc/36/37/07/781363707.db2.gz SDWARKMSXPCXTP-NSHDSACASA-N 0 3 298.387 -1.309 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCN1CCOCC1 ZINC001135352407 781363875 /nfs/dbraw/zinc/36/38/75/781363875.db2.gz DFEKKKBOWDJUKS-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN CC[C@@H](NCCNC(=O)C(C)(C)NC(C)=O)C(N)=O ZINC001135378382 781364541 /nfs/dbraw/zinc/36/45/41/781364541.db2.gz COWGMHFMEAIENM-SECBINFHSA-N 0 3 272.349 -1.129 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001135374474 781364948 /nfs/dbraw/zinc/36/49/48/781364948.db2.gz IKBZOUXAOKLGIH-SECBINFHSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)CNCCNC(=O)C(C)(C)NC(C)=O ZINC001135378617 781365000 /nfs/dbraw/zinc/36/50/00/781365000.db2.gz DXZUBKLREHMCCW-UHFFFAOYSA-N 0 3 258.322 -1.647 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C(C)(C)NC(C)=O ZINC001135379018 781365076 /nfs/dbraw/zinc/36/50/76/781365076.db2.gz KVZBJIUNNOPBOM-QMMMGPOBSA-N 0 3 272.349 -1.259 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCNCC(=O)N1CCC1 ZINC001135381074 781365144 /nfs/dbraw/zinc/36/51/44/781365144.db2.gz MBMZGJURMDMDDJ-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001135378719 781365278 /nfs/dbraw/zinc/36/52/78/781365278.db2.gz IZRWXQNJQVMZMJ-SNVBAGLBSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001135375796 781365856 /nfs/dbraw/zinc/36/58/56/781365856.db2.gz YGIYFNNVHPTKRJ-SNVBAGLBSA-N 0 3 284.360 -1.115 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NCCN[C@@H]1CCNC1=O ZINC001135444495 781366702 /nfs/dbraw/zinc/36/67/02/781366702.db2.gz WJHJMSLMPISWEZ-SSDOTTSWSA-N 0 3 283.288 -2.868 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1CC(=O)NC1=O ZINC001135444239 781367043 /nfs/dbraw/zinc/36/70/43/781367043.db2.gz PGNVHLLNOWKKIP-SSDOTTSWSA-N 0 3 285.304 -2.622 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CN2CC(=O)NC2=O)C1=O ZINC001135444262 781367063 /nfs/dbraw/zinc/36/70/63/781367063.db2.gz QHYPVDPJHHEERI-QMMMGPOBSA-N 0 3 297.315 -2.525 20 0 CAADHN C[C@H](NCCNC(=O)CN1CC(=O)NC1=O)C(N)=O ZINC001135443676 781367145 /nfs/dbraw/zinc/36/71/45/781367145.db2.gz CVNHOBCVGWUEOI-LURJTMIESA-N 0 3 271.277 -2.882 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)CCC(C)C ZINC001135400840 781367251 /nfs/dbraw/zinc/36/72/51/781367251.db2.gz MFLIWMNBCBLUJZ-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135443664 781367325 /nfs/dbraw/zinc/36/73/25/781367325.db2.gz CBCHKECUYWDEEB-UHFFFAOYSA-N 0 3 271.277 -3.010 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NCCN[C@H]1CCNC1=O ZINC001135444502 781367345 /nfs/dbraw/zinc/36/73/45/781367345.db2.gz WJHJMSLMPISWEZ-ZETCQYMHSA-N 0 3 283.288 -2.868 20 0 CAADHN O=C(CNCCNC(=O)CN1CC(=O)NC1=O)NC1CC1 ZINC001135441017 781367734 /nfs/dbraw/zinc/36/77/34/781367734.db2.gz XNTMJZYXZXYASV-UHFFFAOYSA-N 0 3 297.315 -2.477 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NCCNCc1cccnc1 ZINC001135457538 781368129 /nfs/dbraw/zinc/36/81/29/781368129.db2.gz QWZRZWMXWNCXSK-UHFFFAOYSA-N 0 3 291.311 -1.161 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135440064 781368615 /nfs/dbraw/zinc/36/86/15/781368615.db2.gz DDEQSFZGXXWMQG-UHFFFAOYSA-N 0 3 299.331 -2.230 20 0 CAADHN CCn1nc(C(=O)NCCN[C@@H]2CCNC2=O)ccc1=O ZINC001135482461 781368929 /nfs/dbraw/zinc/36/89/29/781368929.db2.gz DEBIVWUDIDXPMY-SECBINFHSA-N 0 3 293.327 -1.529 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135457139 781369163 /nfs/dbraw/zinc/36/91/63/781369163.db2.gz JYMBQLQNOVIUQG-UHFFFAOYSA-N 0 3 299.331 -2.278 20 0 CAADHN Cn1nccc1CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135441013 781369281 /nfs/dbraw/zinc/36/92/81/781369281.db2.gz XKTVWULGLQXIOH-UHFFFAOYSA-N 0 3 294.315 -1.822 20 0 CAADHN Cn1cncc1CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135440770 781369416 /nfs/dbraw/zinc/36/94/16/781369416.db2.gz PYWPVEZSPISNQL-UHFFFAOYSA-N 0 3 294.315 -1.822 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135440931 781369447 /nfs/dbraw/zinc/36/94/47/781369447.db2.gz VNJRYMQREPAUJF-UHFFFAOYSA-N 0 3 299.331 -2.231 20 0 CAADHN CCn1nc(C(=O)NCCNCC(=O)N(C)C)ccc1=O ZINC001135483209 781370756 /nfs/dbraw/zinc/37/07/56/781370756.db2.gz UWEVVPOXNCEJDC-UHFFFAOYSA-N 0 3 295.343 -1.329 20 0 CAADHN Cc1nnc(CNCCNC(=O)c2nnc[nH]2)[nH]1 ZINC001135523509 781370922 /nfs/dbraw/zinc/37/09/22/781370922.db2.gz GSQNVFWOUGOLSB-UHFFFAOYSA-N 0 3 250.266 -1.249 20 0 CAADHN CCn1nc(C(=O)NCCN[C@@H](C)C(N)=O)ccc1=O ZINC001135482815 781371617 /nfs/dbraw/zinc/37/16/17/781371617.db2.gz KKBOVMVNOBVJIR-QMMMGPOBSA-N 0 3 281.316 -1.544 20 0 CAADHN Cc1ncc(C(=O)NCCNCC(=O)NC(N)=O)c(C)n1 ZINC001135487928 781371774 /nfs/dbraw/zinc/37/17/74/781371774.db2.gz XLRFVSNEVTXMDE-UHFFFAOYSA-N 0 3 294.315 -1.392 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccc(=O)n(CC)n1)C(N)=O ZINC001135483193 781371883 /nfs/dbraw/zinc/37/18/83/781371883.db2.gz TWUMURSZPZUBFT-SECBINFHSA-N 0 3 295.343 -1.154 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1nc2ncccn2n1 ZINC001135550365 781372832 /nfs/dbraw/zinc/37/28/32/781372832.db2.gz GKBYMXLLDUEUNF-MRVPVSSYSA-N 0 3 291.315 -1.422 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccncn1 ZINC001135537093 781373003 /nfs/dbraw/zinc/37/30/03/781373003.db2.gz GHBFLJWIFQJFKC-UHFFFAOYSA-N 0 3 251.290 -1.116 20 0 CAADHN CCn1cc(CNCCNC(=O)c2nc[nH]n2)nn1 ZINC001135525987 781373115 /nfs/dbraw/zinc/37/31/15/781373115.db2.gz MHWZABZBZUIHAL-UHFFFAOYSA-N 0 3 264.293 -1.064 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccncn1 ZINC001135542600 781373130 /nfs/dbraw/zinc/37/31/30/781373130.db2.gz LCHAYLYKXIVHMQ-UHFFFAOYSA-N 0 3 251.290 -1.068 20 0 CAADHN C[C@H](NCCNC(=O)c1ccncn1)C(=O)NC(N)=O ZINC001135539298 781373207 /nfs/dbraw/zinc/37/32/07/781373207.db2.gz PBZCHFYWLVKTPN-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccncn1 ZINC001135539046 781373526 /nfs/dbraw/zinc/37/35/26/781373526.db2.gz GLGIZUDNTDGGMC-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN CC[C@H](NCCNC(=O)c1nc2ncccn2n1)C(N)=O ZINC001135550392 781373913 /nfs/dbraw/zinc/37/39/13/781373913.db2.gz HJJUPTMFKFQSIQ-QMMMGPOBSA-N 0 3 291.315 -1.292 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NCCN[C@H](C)C(N)=O ZINC001136129305 781394956 /nfs/dbraw/zinc/39/49/56/781394956.db2.gz HAJHTKYPNDDQGY-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1ccncn1 ZINC001135545631 781374869 /nfs/dbraw/zinc/37/48/69/781374869.db2.gz NNKDMIOHKZGJHZ-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccncn1)C(=O)NC(N)=O ZINC001135539297 781374988 /nfs/dbraw/zinc/37/49/88/781374988.db2.gz PBZCHFYWLVKTPN-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN O=C(CNCCNC(=O)c1cnon1)NC[C@H]1CCOC1 ZINC001135567211 781376256 /nfs/dbraw/zinc/37/62/56/781376256.db2.gz KXZZXXLOHWLTBK-SECBINFHSA-N 0 3 297.315 -1.458 20 0 CAADHN O=C(CNCCNC(=O)c1cnon1)NCC1CC1 ZINC001135573810 781376338 /nfs/dbraw/zinc/37/63/38/781376338.db2.gz UUCYJQSHMBZFJS-UHFFFAOYSA-N 0 3 267.289 -1.085 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cnon2)C1=O ZINC001135567071 781376579 /nfs/dbraw/zinc/37/65/79/781376579.db2.gz FPNOTRGAYNKZSR-ZETCQYMHSA-N 0 3 253.262 -1.380 20 0 CAADHN O=C(CNCCNC(=O)c1cnon1)N1CCC1 ZINC001135573712 781376647 /nfs/dbraw/zinc/37/66/47/781376647.db2.gz PJXVXOUVYHNONL-UHFFFAOYSA-N 0 3 253.262 -1.379 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1nc2ncccn2n1 ZINC001135551386 781376724 /nfs/dbraw/zinc/37/67/24/781376724.db2.gz ZMMLPGOEKNMCNW-UHFFFAOYSA-N 0 3 291.315 -1.468 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1cnon1 ZINC001135573788 781376812 /nfs/dbraw/zinc/37/68/12/781376812.db2.gz SWKXLRLIZWHIFQ-UHFFFAOYSA-N 0 3 255.278 -1.086 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cc2ncccn2n1 ZINC001135584310 781376947 /nfs/dbraw/zinc/37/69/47/781376947.db2.gz DGVIVWKBMRPAER-SECBINFHSA-N 0 3 288.311 -1.063 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1cnon1 ZINC001135573637 781377110 /nfs/dbraw/zinc/37/71/10/781377110.db2.gz LWPLAQDSKXWPFN-UHFFFAOYSA-N 0 3 285.304 -1.458 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cnon1 ZINC001135562145 781377163 /nfs/dbraw/zinc/37/71/63/781377163.db2.gz BWVJNNJCQGYXAJ-UHFFFAOYSA-N 0 3 256.222 -2.416 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cccnn1 ZINC001135631611 781377770 /nfs/dbraw/zinc/37/77/70/781377770.db2.gz CLLXDNXIEVJQSZ-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ncccn1 ZINC001135602586 781377999 /nfs/dbraw/zinc/37/79/99/781377999.db2.gz WWKPSYOIXUEZLW-UHFFFAOYSA-N 0 3 251.290 -1.068 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cccnn1 ZINC001135631612 781378071 /nfs/dbraw/zinc/37/80/71/781378071.db2.gz CLLXDNXIEVJQSZ-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cccnn1 ZINC001135628202 781378127 /nfs/dbraw/zinc/37/81/27/781378127.db2.gz FDCGMYODKIXVAM-MRVPVSSYSA-N 0 3 251.290 -1.070 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1ncccn1 ZINC001135605460 781378213 /nfs/dbraw/zinc/37/82/13/781378213.db2.gz HTTAGSDFUHYKKJ-UHFFFAOYSA-N 0 3 287.345 -1.655 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccnn1)C(=O)NC(N)=O ZINC001135631620 781378344 /nfs/dbraw/zinc/37/83/44/781378344.db2.gz CRMDSZUQTCKLAY-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ncccn1 ZINC001135608344 781378481 /nfs/dbraw/zinc/37/84/81/781378481.db2.gz AAOBMYILNDZOKT-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1ncccn1 ZINC001135602429 781378621 /nfs/dbraw/zinc/37/86/21/781378621.db2.gz OFPINLGOMOXOKH-UHFFFAOYSA-N 0 3 294.315 -1.358 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135677514 781379375 /nfs/dbraw/zinc/37/93/75/781379375.db2.gz MDFCDNLOOQPIJV-UHFFFAOYSA-N 0 3 297.363 -1.364 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135677290 781379599 /nfs/dbraw/zinc/37/95/99/781379599.db2.gz BGODZJTYQIOHFE-UHFFFAOYSA-N 0 3 283.336 -1.705 20 0 CAADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001135669233 781379609 /nfs/dbraw/zinc/37/96/09/781379609.db2.gz FONIMCCXZNITLN-ZETCQYMHSA-N 0 3 297.315 -1.682 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135677677 781379998 /nfs/dbraw/zinc/37/99/98/781379998.db2.gz UFNJPYFHNXOVAQ-UHFFFAOYSA-N 0 3 283.336 -1.706 20 0 CAADHN Cn1cc(CNCCNC(=O)CCn2cnnn2)cn1 ZINC001135677774 781380142 /nfs/dbraw/zinc/38/01/42/781380142.db2.gz YTAOGAHVMAOGNS-UHFFFAOYSA-N 0 3 278.320 -1.297 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135677478 781380183 /nfs/dbraw/zinc/38/01/83/781380183.db2.gz KTZLTCDQBJRZTD-UHFFFAOYSA-N 0 3 297.363 -1.363 20 0 CAADHN O=C(CCn1cnnn1)NCCN[C@@H]1CCNC1=O ZINC001135677298 781380461 /nfs/dbraw/zinc/38/04/61/781380461.db2.gz BPFAYNLDMXGTKL-MRVPVSSYSA-N 0 3 267.293 -2.343 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cccnn1 ZINC001135641268 781380515 /nfs/dbraw/zinc/38/05/15/781380515.db2.gz QXYNMGMXYJOQHM-MRVPVSSYSA-N 0 3 277.284 -1.399 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135677358 781380643 /nfs/dbraw/zinc/38/06/43/781380643.db2.gz DSLWHBKTKANEAQ-UHFFFAOYSA-N 0 3 269.309 -2.095 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCn1cnnn1 ZINC001135681177 781381131 /nfs/dbraw/zinc/38/11/31/781381131.db2.gz DBEDXLWDSKTTQC-QMMMGPOBSA-N 0 3 269.309 -2.097 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)CCn2cnnn2)C1=O ZINC001135681207 781381253 /nfs/dbraw/zinc/38/12/53/781381253.db2.gz DJRAYYIAMQBVLS-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CCc1cc(C(=O)NCCNCC(=O)NC(N)=O)n(C)n1 ZINC001135681375 781381446 /nfs/dbraw/zinc/38/14/46/781381446.db2.gz IEIQVWDROOINFH-UHFFFAOYSA-N 0 3 296.331 -1.503 20 0 CAADHN CC[C@@H](NCCNC(=O)CCn1cnnn1)C(N)=O ZINC001135681487 781381549 /nfs/dbraw/zinc/38/15/49/781381549.db2.gz LORAJICIXMVRIC-MRVPVSSYSA-N 0 3 269.309 -1.967 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CCn2cnnn2)C1=O ZINC001135702450 781381604 /nfs/dbraw/zinc/38/16/04/781381604.db2.gz INSZIWNZXFRUFC-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCn1cnnn1 ZINC001135681173 781382020 /nfs/dbraw/zinc/38/20/20/781382020.db2.gz DBEDXLWDSKTTQC-MRVPVSSYSA-N 0 3 269.309 -2.097 20 0 CAADHN C[C@H](NCCNC(=O)CCn1cnnn1)C(=O)NC1CC1 ZINC001135702903 781382125 /nfs/dbraw/zinc/38/21/25/781382125.db2.gz TZHYZRUUQVCHRN-VIFPVBQESA-N 0 3 295.347 -1.564 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1cnnn1)C(=O)NC1CC1 ZINC001135702902 781382199 /nfs/dbraw/zinc/38/21/99/781382199.db2.gz TZHYZRUUQVCHRN-SECBINFHSA-N 0 3 295.347 -1.564 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)CCn1cnnn1 ZINC001135703132 781382248 /nfs/dbraw/zinc/38/22/48/781382248.db2.gz XNUQOYNSAMKWGN-JTQLQIEISA-N 0 3 297.363 -1.316 20 0 CAADHN O=C(Cc1ncc[nH]1)NCCN[C@H]1CCNC1=O ZINC001135754452 781382911 /nfs/dbraw/zinc/38/29/11/781382911.db2.gz CNXHLTPBWOFFMS-QMMMGPOBSA-N 0 3 251.290 -1.454 20 0 CAADHN O=C(Cc1ncc[nH]1)NCCN[C@@H]1CCCNC1=O ZINC001135754671 781383066 /nfs/dbraw/zinc/38/30/66/781383066.db2.gz GQSJWHMOCOITPX-SECBINFHSA-N 0 3 265.317 -1.063 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1ncc[nH]1 ZINC001135755082 781383095 /nfs/dbraw/zinc/38/30/95/781383095.db2.gz LTFRNTXPLHFFLH-UHFFFAOYSA-N 0 3 268.277 -2.147 20 0 CAADHN CC[C@@H](NCCNC(=O)Cc1ncc[nH]1)C(N)=O ZINC001135757730 781383198 /nfs/dbraw/zinc/38/31/98/781383198.db2.gz NEPROILEWHTXAT-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@H](NCCNC(=O)Cc1ncc[nH]1)C(=O)NC(N)=O ZINC001135765980 781383220 /nfs/dbraw/zinc/38/32/20/781383220.db2.gz DMLHYJQNLJHTPR-ZETCQYMHSA-N 0 3 282.304 -1.759 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)Cc1ncc[nH]1 ZINC001135756404 781383503 /nfs/dbraw/zinc/38/35/03/781383503.db2.gz ZPGKCPSZRQAEMG-UHFFFAOYSA-N 0 3 297.359 -1.189 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@]1(C)CCOC1 ZINC001135780748 781383765 /nfs/dbraw/zinc/38/37/65/781383765.db2.gz IGTWTSIXCIXEKS-LBPRGKRZSA-N 0 3 286.332 -1.426 20 0 CAADHN O=C(Cc1ncc[nH]1)NCCN[C@H]1CCC(=O)NC1=O ZINC001135757844 781383818 /nfs/dbraw/zinc/38/38/18/781383818.db2.gz RULSETZXWBYTEE-QMMMGPOBSA-N 0 3 279.300 -1.537 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CCOC1 ZINC001135780525 781384081 /nfs/dbraw/zinc/38/40/81/781384081.db2.gz DZSIUNHLZOQPJL-NOZJJQNGSA-N 0 3 283.328 -1.076 20 0 CAADHN O=C(Cc1ncc[nH]1)NCCN[C@H]1CCCNC1=O ZINC001135754672 781384349 /nfs/dbraw/zinc/38/43/49/781384349.db2.gz GQSJWHMOCOITPX-VIFPVBQESA-N 0 3 265.317 -1.063 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1ncc[nH]1 ZINC001135760584 781384568 /nfs/dbraw/zinc/38/45/68/781384568.db2.gz OPZLEBVQFAMUTK-MRVPVSSYSA-N 0 3 296.331 -1.498 20 0 CAADHN CC[C@H](NCCNC(=O)c1cc(C(N)=O)c[nH]1)C(N)=O ZINC001135812906 781385264 /nfs/dbraw/zinc/38/52/64/781385264.db2.gz IGMUZECRVSOFIS-QMMMGPOBSA-N 0 3 281.316 -1.303 20 0 CAADHN Cn1ncc2cc(C(=O)NCCNCC(N)=O)cnc21 ZINC001135787782 781385285 /nfs/dbraw/zinc/38/52/85/781385285.db2.gz VYFXVIPLZBLWFX-UHFFFAOYSA-N 0 3 276.300 -1.227 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135809615 781385318 /nfs/dbraw/zinc/38/53/18/781385318.db2.gz FLXPYVKTWOHCKC-UHFFFAOYSA-N 0 3 267.289 -1.821 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cc(C(N)=O)c[nH]1)C(N)=O ZINC001135812905 781385348 /nfs/dbraw/zinc/38/53/48/781385348.db2.gz IGMUZECRVSOFIS-MRVPVSSYSA-N 0 3 281.316 -1.303 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@]1(C)CCOC1)C(=O)NC(N)=O ZINC001135801758 781385472 /nfs/dbraw/zinc/38/54/72/781385472.db2.gz SZCSASCJMUEAAL-PELKAZGASA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H]1OCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001135787009 781385596 /nfs/dbraw/zinc/38/55/96/781385596.db2.gz XSJHJUBTIWWPMO-NXEZZACHSA-N 0 3 293.389 -1.334 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCO[C@@H]1C ZINC001135783043 781385640 /nfs/dbraw/zinc/38/56/40/781385640.db2.gz LKHKCRZZMZAOTB-RKDXNWHRSA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc(C(N)=O)c[nH]1)C(N)=O ZINC001135809784 781385727 /nfs/dbraw/zinc/38/57/27/781385727.db2.gz MSANYWUPYHKPJS-ZCFIWIBFSA-N 0 3 267.289 -1.693 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cc(C(N)=O)c[nH]2)C1=O ZINC001135813159 781385758 /nfs/dbraw/zinc/38/57/58/781385758.db2.gz UKZSTFKXDOLKHK-VIFPVBQESA-N 0 3 293.327 -1.336 20 0 CAADHN C[C@H](NCCNC(=O)c1cc(C(N)=O)c[nH]1)C(=O)N(C)C ZINC001135812831 781385867 /nfs/dbraw/zinc/38/58/67/781385867.db2.gz DRPLMWNZRWFKSM-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135813204 781385968 /nfs/dbraw/zinc/38/59/68/781385968.db2.gz WIMSBQZDSZMEEH-SSDOTTSWSA-N 0 3 281.316 -1.433 20 0 CAADHN C[C@H]1OCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001135783792 781386062 /nfs/dbraw/zinc/38/60/62/781386062.db2.gz SULMFFCLAVGDRT-HTQZYQBOSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc(C(N)=O)c[nH]1)C(=O)N(C)C ZINC001135812830 781386351 /nfs/dbraw/zinc/38/63/51/781386351.db2.gz DRPLMWNZRWFKSM-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135816649 781386863 /nfs/dbraw/zinc/38/68/63/781386863.db2.gz ZYWHBICDUUWZNG-UHFFFAOYSA-N 0 3 295.343 -1.042 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1c(C)cc(C)nc1=O ZINC001135831541 781387559 /nfs/dbraw/zinc/38/75/59/781387559.db2.gz HVSWNUCXVKHBEI-UHFFFAOYSA-N 0 3 295.343 -1.688 20 0 CAADHN COCCN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090525518 781387972 /nfs/dbraw/zinc/38/79/72/781387972.db2.gz LNOMQFHQTTUKPV-ONGXEEELSA-N 0 3 296.327 -1.419 20 0 CAADHN C[C@H]1C[C@H](C(=O)NCCNCC(=O)NC(N)=O)CCO1 ZINC001135837078 781388207 /nfs/dbraw/zinc/38/82/07/781388207.db2.gz CWRQLZYGVRVXGV-DTWKUNHWSA-N 0 3 286.332 -1.298 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135816529 781388427 /nfs/dbraw/zinc/38/84/27/781388427.db2.gz VMYRACKMHKKKIK-UHFFFAOYSA-N 0 3 281.316 -1.431 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)C(=O)NCC2CC2)C1=O ZINC001135907640 781389529 /nfs/dbraw/zinc/38/95/29/781389529.db2.gz YGGNOUGPJJHFHI-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NC(N)=O)CCCOC1 ZINC001135952119 781389885 /nfs/dbraw/zinc/38/98/85/781389885.db2.gz VVGIWEJVFOQSLV-GFCCVEGCSA-N 0 3 286.332 -1.296 20 0 CAADHN CCCn1cc(C(=O)NCCNCC(N)=O)nn1 ZINC001135965082 781390108 /nfs/dbraw/zinc/39/01/08/781390108.db2.gz APWTZLSQBXKQOM-UHFFFAOYSA-N 0 3 254.294 -1.507 20 0 CAADHN CCCn1cc(C(=O)NCCNCC(=O)NC(N)=O)nn1 ZINC001135965324 781390491 /nfs/dbraw/zinc/39/04/91/781390491.db2.gz IGDSNLPALXGFGH-UHFFFAOYSA-N 0 3 297.319 -1.798 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1cnccc1=O)C(N)=O ZINC001136019661 781390849 /nfs/dbraw/zinc/39/08/49/781390849.db2.gz TZRIXQKUJNWJCZ-SECBINFHSA-N 0 3 281.316 -1.787 20 0 CAADHN CCn1cc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)nn1 ZINC001135994391 781391057 /nfs/dbraw/zinc/39/10/57/781391057.db2.gz RYDQFSMFNUCHEE-MRVPVSSYSA-N 0 3 294.315 -1.577 20 0 CAADHN CCn1cc(C(=O)NCCN[C@@H]2CCNC2=O)nn1 ZINC001135994221 781391172 /nfs/dbraw/zinc/39/11/72/781391172.db2.gz KEXDTZNDIYDTFC-MRVPVSSYSA-N 0 3 266.305 -1.494 20 0 CAADHN NC(=O)CNCCNC(=O)c1cn(C[C@@H]2CCOC2)nn1 ZINC001136000370 781391285 /nfs/dbraw/zinc/39/12/85/781391285.db2.gz FIHGCHOZOJPKOZ-VIFPVBQESA-N 0 3 296.331 -1.881 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cn(CC)nn1 ZINC001135994143 781391931 /nfs/dbraw/zinc/39/19/31/781391931.db2.gz HDQOXRWRUYVWBT-UHFFFAOYSA-N 0 3 268.321 -1.247 20 0 CAADHN CCn1cc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)nn1 ZINC001136001871 781392061 /nfs/dbraw/zinc/39/20/61/781392061.db2.gz WIOXDWQPBYRROO-ZETCQYMHSA-N 0 3 297.319 -1.799 20 0 CAADHN CNC(=O)CNCCNC(=O)c1coc(COC)n1 ZINC001136030711 781392558 /nfs/dbraw/zinc/39/25/58/781392558.db2.gz RFJRBJVNLHJWSV-UHFFFAOYSA-N 0 3 270.289 -1.114 20 0 CAADHN CCN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090526302 781392921 /nfs/dbraw/zinc/39/29/21/781392921.db2.gz BNXUTMSCFLNDTQ-WPRPVWTQSA-N 0 3 266.301 -1.045 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090526296 781393035 /nfs/dbraw/zinc/39/30/35/781393035.db2.gz BNXUTMSCFLNDTQ-PSASIEDQSA-N 0 3 266.301 -1.045 20 0 CAADHN CNC(=O)CNCCNC(=O)CC(=O)NCC(F)(F)F ZINC001136017891 781393170 /nfs/dbraw/zinc/39/31/70/781393170.db2.gz SWQVAHYTTBIQHQ-UHFFFAOYSA-N 0 3 298.265 -1.493 20 0 CAADHN COCc1nc(C(=O)NCCNCC(N)=O)co1 ZINC001136030566 781393322 /nfs/dbraw/zinc/39/33/22/781393322.db2.gz NHFSIBLEMDFLLV-UHFFFAOYSA-N 0 3 256.262 -1.374 20 0 CAADHN C[C@H](Cc1cnn(C)c1)C(=O)NCCNCC(N)=O ZINC001136012410 781393471 /nfs/dbraw/zinc/39/34/71/781393471.db2.gz NKTCFORCZUTZRP-SECBINFHSA-N 0 3 267.333 -1.210 20 0 CAADHN O=C(CCn1cnccc1=O)NCCN[C@H]1CCNC1=O ZINC001136022249 781393891 /nfs/dbraw/zinc/39/38/91/781393891.db2.gz UHKGNSICZBAOOJ-JTQLQIEISA-N 0 3 293.327 -1.772 20 0 CAADHN COC[C@@H](C)CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001136123343 781394121 /nfs/dbraw/zinc/39/41/21/781394121.db2.gz KVKCLFQWPXPAGD-DTWKUNHWSA-N 0 3 288.348 -1.052 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NCCNCCF ZINC001136129614 781394315 /nfs/dbraw/zinc/39/43/15/781394315.db2.gz MMIJZLOWVLKIHG-UHFFFAOYSA-N 0 3 269.342 -1.057 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C[C@@H](C)COC ZINC001136120419 781394672 /nfs/dbraw/zinc/39/46/72/781394672.db2.gz YNVRFRXKEIQZCS-SECBINFHSA-N 0 3 288.348 -1.180 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C[C@H](C)COC ZINC001136120420 781395471 /nfs/dbraw/zinc/39/54/71/781395471.db2.gz YNVRFRXKEIQZCS-VIFPVBQESA-N 0 3 288.348 -1.180 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001090529584 781396625 /nfs/dbraw/zinc/39/66/25/781396625.db2.gz VRWDTSIDVNBNLB-MWLCHTKSSA-N 0 3 296.327 -1.683 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001090529585 781399006 /nfs/dbraw/zinc/39/90/06/781399006.db2.gz VRWDTSIDVNBNLB-ONGXEEELSA-N 0 3 296.327 -1.683 20 0 CAADHN CNCc1cc(NCC(=O)NCC(=O)OC)ncn1 ZINC001170947323 781401702 /nfs/dbraw/zinc/40/17/02/781401702.db2.gz PTMGHVPNFLGLLJ-UHFFFAOYSA-N 0 3 267.289 -1.103 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](NCCS(C)(=O)=O)CN1 ZINC001246083121 781402006 /nfs/dbraw/zinc/40/20/06/781402006.db2.gz SZJIKXSNQRUZHQ-BDAKNGLRSA-N 0 3 264.347 -1.086 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](NCCS(C)(=O)=O)CN1 ZINC001246083126 781403780 /nfs/dbraw/zinc/40/37/80/781403780.db2.gz SZJIKXSNQRUZHQ-IUCAKERBSA-N 0 3 264.347 -1.086 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCN(CCOC2CCC2)C[C@@H]1O ZINC001090535733 781405502 /nfs/dbraw/zinc/40/55/02/781405502.db2.gz VWLFWQZYJNCBQE-QWRGUYRKSA-N 0 3 285.344 -1.408 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCN(CCOC2CCC2)C[C@H]1O ZINC001090535734 781405970 /nfs/dbraw/zinc/40/59/70/781405970.db2.gz VWLFWQZYJNCBQE-WDEREUQCSA-N 0 3 285.344 -1.408 20 0 CAADHN Cn1nccc1CCN1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090534659 781406041 /nfs/dbraw/zinc/40/60/41/781406041.db2.gz PWBLBIDPOPDQJU-MNOVXSKESA-N 0 3 295.343 -2.001 20 0 CAADHN CC(C)=CCN1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090534792 781406137 /nfs/dbraw/zinc/40/61/37/781406137.db2.gz QGNVOZUMCVZRJF-VHSXEESVSA-N 0 3 255.318 -1.011 20 0 CAADHN Cn1nccc1CCN1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090534667 781406376 /nfs/dbraw/zinc/40/63/76/781406376.db2.gz PWBLBIDPOPDQJU-WDEREUQCSA-N 0 3 295.343 -2.001 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)[nH]c1=O ZINC001090536222 781407362 /nfs/dbraw/zinc/40/73/62/781407362.db2.gz CFKMZXLBIWGVEN-MWLCHTKSSA-N 0 3 298.343 -1.327 20 0 CAADHN COCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001090537891 781408269 /nfs/dbraw/zinc/40/82/69/781408269.db2.gz CZTRYDXRTZMERA-KOLCDFICSA-N 0 3 298.343 -1.063 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@H](O)C1 ZINC001090553008 781408948 /nfs/dbraw/zinc/40/89/48/781408948.db2.gz ISAPBDPAPRGTQR-RKDXNWHRSA-N 0 3 299.306 -1.540 20 0 CAADHN NC(=O)CN1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H](O)C1 ZINC001090553821 781409375 /nfs/dbraw/zinc/40/93/75/781409375.db2.gz RWDCEYAYPWODEF-JGVFFNPUSA-N 0 3 285.279 -1.801 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)c2[nH]ncc2F)[C@H](O)C1 ZINC001090553006 781410017 /nfs/dbraw/zinc/41/00/17/781410017.db2.gz ISAPBDPAPRGTQR-DTWKUNHWSA-N 0 3 299.306 -1.540 20 0 CAADHN O=C(Cc1c[nH]cn1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090599122 781411110 /nfs/dbraw/zinc/41/11/10/781411110.db2.gz DCQVVEHINMBDPI-NWDGAFQWSA-N 0 3 282.344 -1.114 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](NS(=O)(=O)CCN)CN1 ZINC001246180598 781411120 /nfs/dbraw/zinc/41/11/20/781411120.db2.gz TVGUCBOSQHNTQH-YUMQZZPRSA-N 0 3 265.335 -1.842 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001090594950 781411433 /nfs/dbraw/zinc/41/14/33/781411433.db2.gz MKUSSGKNFRJXMT-MNOVXSKESA-N 0 3 295.343 -1.750 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N[C@@H]2CC[C@@H](C(=O)OC)NC2)CN1 ZINC001246184816 781411505 /nfs/dbraw/zinc/41/15/05/781411505.db2.gz OHAIJZQXWDEZGQ-RCWTZXSCSA-N 0 3 285.344 -1.227 20 0 CAADHN O=C(Cc1c[nH]cn1)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001090601475 781411858 /nfs/dbraw/zinc/41/18/58/781411858.db2.gz RSVVIZDCKGVBNA-GHMZBOCLSA-N 0 3 268.317 -1.504 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)CN1 ZINC001246187204 781412025 /nfs/dbraw/zinc/41/20/25/781412025.db2.gz NHDCDKDGXMTIJW-HLTSFMKQSA-N 0 3 269.301 -1.325 20 0 CAADHN O=C(Cc1c[nH]cn1)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001090601477 781412048 /nfs/dbraw/zinc/41/20/48/781412048.db2.gz RSVVIZDCKGVBNA-QWRGUYRKSA-N 0 3 268.317 -1.504 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](NS(=O)(=O)CCN)CN1 ZINC001246180597 781412281 /nfs/dbraw/zinc/41/22/81/781412281.db2.gz TVGUCBOSQHNTQH-SFYZADRCSA-N 0 3 265.335 -1.842 20 0 CAADHN Cn1ncc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090645535 781416597 /nfs/dbraw/zinc/41/65/97/781416597.db2.gz SZVQUCQQEBYGQF-GXSJLCMTSA-N 0 3 283.332 -1.638 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)c1cnon1 ZINC001090660357 781418019 /nfs/dbraw/zinc/41/80/19/781418019.db2.gz QOBOKCGKWQJZDE-SCZZXKLOSA-N 0 3 270.289 -1.383 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001090655952 781418099 /nfs/dbraw/zinc/41/80/99/781418099.db2.gz YAAYTZIYUUWYAM-IUCAKERBSA-N 0 3 284.316 -1.891 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)[C@H](O)C1 ZINC001090655951 781418677 /nfs/dbraw/zinc/41/86/77/781418677.db2.gz YAAYTZIYUUWYAM-DTWKUNHWSA-N 0 3 284.316 -1.891 20 0 CAADHN CCn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)nn1 ZINC001090678500 781422166 /nfs/dbraw/zinc/42/21/66/781422166.db2.gz HOEDPDZMPUQGCJ-ZYHUDNBSSA-N 0 3 297.359 -1.155 20 0 CAADHN O=C(Cc1ncc[nH]1)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001090677998 781422255 /nfs/dbraw/zinc/42/22/55/781422255.db2.gz CUKMSOLNDBJMRR-UWVGGRQHSA-N 0 3 268.317 -1.504 20 0 CAADHN Cc1nonc1CC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090690776 781422341 /nfs/dbraw/zinc/42/23/41/781422341.db2.gz UFVAVHVXGAUXLN-CMPLNLGQSA-N 0 3 298.343 -1.146 20 0 CAADHN O=C(Cc1ncc[nH]1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090678997 781422427 /nfs/dbraw/zinc/42/24/27/781422427.db2.gz KKDFQENWRWOIRH-QWRGUYRKSA-N 0 3 282.344 -1.114 20 0 CAADHN O=C(Cc1ncc[nH]1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090678995 781422655 /nfs/dbraw/zinc/42/26/55/781422655.db2.gz KKDFQENWRWOIRH-GHMZBOCLSA-N 0 3 282.344 -1.114 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NC[C@H]2COCCN2C)CN1 ZINC001246267323 781423785 /nfs/dbraw/zinc/42/37/85/781423785.db2.gz RXFBZDLRYKYJGV-DCAQKATOSA-N 0 3 257.334 -1.190 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NC[C@@H]2COCCN2C)CN1 ZINC001246267309 781425274 /nfs/dbraw/zinc/42/52/74/781425274.db2.gz RXFBZDLRYKYJGV-AXFHLTTASA-N 0 3 257.334 -1.190 20 0 CAADHN Cc1nc[nH]c1CC(=O)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001090765059 781428833 /nfs/dbraw/zinc/42/88/33/781428833.db2.gz USMFARQUPTZZQF-ZYHUDNBSSA-N 0 3 282.344 -1.196 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001090765157 781429050 /nfs/dbraw/zinc/42/90/50/781429050.db2.gz VSLDGDQROWPYLL-ONGXEEELSA-N 0 3 295.343 -1.703 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090786772 781430238 /nfs/dbraw/zinc/43/02/38/781430238.db2.gz INFJQJFJZQTQQO-GHMZBOCLSA-N 0 3 283.332 -1.524 20 0 CAADHN O=C(Cn1cncn1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090789786 781430766 /nfs/dbraw/zinc/43/07/66/781430766.db2.gz IUDZJJHGKHYEHK-QWRGUYRKSA-N 0 3 283.332 -1.788 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090791686 781431003 /nfs/dbraw/zinc/43/10/03/781431003.db2.gz UWTOUHFLMLLZFS-ZJUUUORDSA-N 0 3 253.306 -1.151 20 0 CAADHN O=C(Cn1cncn1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090789787 781431236 /nfs/dbraw/zinc/43/12/36/781431236.db2.gz IUDZJJHGKHYEHK-WDEREUQCSA-N 0 3 283.332 -1.788 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090789784 781432003 /nfs/dbraw/zinc/43/20/03/781432003.db2.gz IUDZJJHGKHYEHK-MNOVXSKESA-N 0 3 283.332 -1.788 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](O)C1 ZINC001090806629 781433391 /nfs/dbraw/zinc/43/33/91/781433391.db2.gz VMQJUOTXDKIICS-NXEZZACHSA-N 0 3 296.327 -1.329 20 0 CAADHN Cc1nccn1CC(=O)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001090808393 781433587 /nfs/dbraw/zinc/43/35/87/781433587.db2.gz KDECYUFQRMUYRZ-NEPJUHHUSA-N 0 3 282.344 -1.265 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 ZINC001090797114 781433846 /nfs/dbraw/zinc/43/38/46/781433846.db2.gz UEVBXDMGNOFGOF-NXEZZACHSA-N 0 3 283.328 -1.293 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001090793347 781434058 /nfs/dbraw/zinc/43/40/58/781434058.db2.gz JAAZNHYWDFJCOX-BDAKNGLRSA-N 0 3 293.327 -1.240 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 ZINC001090795420 781434147 /nfs/dbraw/zinc/43/41/47/781434147.db2.gz WRCNOIQVTLVXLY-DTWKUNHWSA-N 0 3 284.316 -1.891 20 0 CAADHN CCN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC001090792051 781434220 /nfs/dbraw/zinc/43/42/20/781434220.db2.gz ZOOYZTSWTMMHLQ-GXSJLCMTSA-N 0 3 280.328 -1.035 20 0 CAADHN Cn1ccc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090816594 781435139 /nfs/dbraw/zinc/43/51/39/781435139.db2.gz PRXNGLFOUHEANL-CMPLNLGQSA-N 0 3 282.344 -1.033 20 0 CAADHN O=C(CN1CCCC1)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001090816540 781435512 /nfs/dbraw/zinc/43/55/12/781435512.db2.gz PGABEIHHWWEMAQ-RYUDHWBXSA-N 0 3 271.361 -1.374 20 0 CAADHN O=C(CN1CCCC1)N[C@H]1CCN(CCO)C[C@H]1O ZINC001090816537 781435673 /nfs/dbraw/zinc/43/56/73/781435673.db2.gz PGABEIHHWWEMAQ-NWDGAFQWSA-N 0 3 271.361 -1.374 20 0 CAADHN O=C(CN1CCCC1)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001090816542 781435737 /nfs/dbraw/zinc/43/57/37/781435737.db2.gz PGABEIHHWWEMAQ-VXGBXAGGSA-N 0 3 271.361 -1.374 20 0 CAADHN O=C(Cn1ccnc1)N[C@H]1CCN(CCO)C[C@H]1O ZINC001090848405 781437097 /nfs/dbraw/zinc/43/70/97/781437097.db2.gz GCNFUHPCNXSELV-WDEREUQCSA-N 0 3 268.317 -1.573 20 0 CAADHN O=C(Cn1ccnc1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090848621 781437317 /nfs/dbraw/zinc/43/73/17/781437317.db2.gz GTLILPOULHDMGC-VXGBXAGGSA-N 0 3 282.344 -1.183 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001090838005 781437953 /nfs/dbraw/zinc/43/79/53/781437953.db2.gz YWGUYRWVYLRRKG-ONGXEEELSA-N 0 3 282.344 -1.091 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160451599 781440232 /nfs/dbraw/zinc/44/02/32/781440232.db2.gz RLHNCZQBUGXHPC-IUCAKERBSA-N 0 3 268.317 -2.336 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160451597 781440630 /nfs/dbraw/zinc/44/06/30/781440630.db2.gz RLHNCZQBUGXHPC-BDAKNGLRSA-N 0 3 268.317 -2.336 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N[C@H]2[C@H](O)CCC[C@@H]2O)CN1 ZINC001246525779 781440716 /nfs/dbraw/zinc/44/07/16/781440716.db2.gz NYCBFBSJCYEYIV-XXFSISAASA-N 0 3 258.318 -1.246 20 0 CAADHN CNC(=O)/C=C/C(=O)NC1(CO)CCN(C)CC1 ZINC001144091784 781442872 /nfs/dbraw/zinc/44/28/72/781442872.db2.gz JVLMHZQWRCKAEP-ONEGZZNKSA-N 0 3 255.318 -1.139 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)CN(C)C(N)=[NH2+] ZINC001144142792 781444793 /nfs/dbraw/zinc/44/47/93/781444793.db2.gz OPSPIGFFDZSMJY-UHFFFAOYSA-N 0 3 254.294 -1.092 20 0 CAADHN CSc1[n-]nc(NC(=O)CN(C)C(N)=[NH2+])c1C(N)=O ZINC001144128702 781445439 /nfs/dbraw/zinc/44/54/39/781445439.db2.gz OABDNMIQOWSXEP-UHFFFAOYSA-N 0 3 285.333 -1.006 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC001144339692 781450991 /nfs/dbraw/zinc/45/09/91/781450991.db2.gz SRHTVBYWZAZJSE-QMMMGPOBSA-N 0 3 284.316 -1.843 20 0 CAADHN COc1c(C(=O)NCCN[C@H](C)C(N)=O)cnn1C ZINC001149202271 781452439 /nfs/dbraw/zinc/45/24/39/781452439.db2.gz MTUBVSIBELQKQW-SSDOTTSWSA-N 0 3 269.305 -1.378 20 0 CAADHN C[C@@H]([NH2+]CCCNC(=O)c1cnc[n-]c1=O)C(N)=O ZINC001160639686 781458602 /nfs/dbraw/zinc/45/86/02/781458602.db2.gz GJBWAXZSSLOBFX-SSDOTTSWSA-N 0 3 267.289 -1.235 20 0 CAADHN CN1CCC(CO)(NC(=O)CCCS(N)(=O)=O)CC1 ZINC001144599697 781460784 /nfs/dbraw/zinc/46/07/84/781460784.db2.gz LKMGZNZHYYVZIB-UHFFFAOYSA-N 0 3 293.389 -1.372 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)CCCS(N)(=O)=O ZINC001144588791 781460828 /nfs/dbraw/zinc/46/08/28/781460828.db2.gz DJYLDVJKJOINPI-JTQLQIEISA-N 0 3 293.389 -1.156 20 0 CAADHN CN(CC[NH+]1CCCC1)C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001160689561 781462106 /nfs/dbraw/zinc/46/21/06/781462106.db2.gz YUGIQHCERJRCPL-VIFPVBQESA-N 0 3 267.337 -1.376 20 0 CAADHN CN(CC[NH+]1CCCC1)C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001160689561 781462108 /nfs/dbraw/zinc/46/21/08/781462108.db2.gz YUGIQHCERJRCPL-VIFPVBQESA-N 0 3 267.337 -1.376 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@@H](N)C2CCC(O)CC2)CCO1 ZINC001160704484 781464256 /nfs/dbraw/zinc/46/42/56/781464256.db2.gz KXWDHIRALIVEKV-TVUZUIDESA-N 0 3 285.344 -1.423 20 0 CAADHN Cn1nnnc1CNC1CC(CNC(=O)c2ncn[nH]2)C1 ZINC001091288061 781465557 /nfs/dbraw/zinc/46/55/57/781465557.db2.gz DVXXBLGGPUGNKB-UHFFFAOYSA-N 0 3 291.319 -1.374 20 0 CAADHN Cn1nnnc1CNC1CC(CNC(=O)c2nc[nH]n2)C1 ZINC001091288061 781465562 /nfs/dbraw/zinc/46/55/62/781465562.db2.gz DVXXBLGGPUGNKB-UHFFFAOYSA-N 0 3 291.319 -1.374 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnn(C)c1OC ZINC001149209654 781465607 /nfs/dbraw/zinc/46/56/07/781465607.db2.gz YQBYLLGZXLETIA-QMMMGPOBSA-N 0 3 283.332 -1.117 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)c1OC ZINC001149209653 781465859 /nfs/dbraw/zinc/46/58/59/781465859.db2.gz YQBYLLGZXLETIA-MRVPVSSYSA-N 0 3 283.332 -1.117 20 0 CAADHN C[C@H](CN(C)C)NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144907313 781473454 /nfs/dbraw/zinc/47/34/54/781473454.db2.gz XGSDPIBTGPWAEW-RYPBNFRJSA-N 0 3 278.305 -3.303 20 0 CAADHN CN1CC[C@@H](CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)C1 ZINC001144906402 781473527 /nfs/dbraw/zinc/47/35/27/781473527.db2.gz FBPKICHWWZFMOX-AATLWQCWSA-N 0 3 290.316 -3.302 20 0 CAADHN C[C@H](CN(C)C)NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144907299 781473640 /nfs/dbraw/zinc/47/36/40/781473640.db2.gz XGSDPIBTGPWAEW-BZNPZCIMSA-N 0 3 278.305 -3.303 20 0 CAADHN C[C@H](CN(C)C)NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144907311 781473680 /nfs/dbraw/zinc/47/36/80/781473680.db2.gz XGSDPIBTGPWAEW-LURQLKTLSA-N 0 3 278.305 -3.303 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144892535 781474631 /nfs/dbraw/zinc/47/46/31/781474631.db2.gz IZZVMUZNHBOFMM-KXUCPTDWSA-N 0 3 292.332 -2.912 20 0 CAADHN COC(=O)[C@H]1CNCCN1[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246623394 781477131 /nfs/dbraw/zinc/47/71/31/781477131.db2.gz QLPHTTVBTUCGGS-OUAUKWLOSA-N 0 3 285.344 -1.273 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](N2CCNC[C@H]2C(=O)OC)CN1 ZINC001246623396 781477234 /nfs/dbraw/zinc/47/72/34/781477234.db2.gz QLPHTTVBTUCGGS-VWYCJHECSA-N 0 3 285.344 -1.273 20 0 CAADHN NC(=O)CNCCNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC001149114243 781479952 /nfs/dbraw/zinc/47/99/52/781479952.db2.gz YMZYJMZFLJZJHY-VIFPVBQESA-N 0 3 270.333 -1.374 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC001149106126 781481627 /nfs/dbraw/zinc/48/16/27/781481627.db2.gz ZJJXOVGXIJOWFM-SNVBAGLBSA-N 0 3 284.360 -1.113 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)COCc1nncn1C ZINC001146209190 781481765 /nfs/dbraw/zinc/48/17/65/781481765.db2.gz YAZCULUQIQGDPN-SECBINFHSA-N 0 3 298.347 -1.828 20 0 CAADHN C[C@@H](NCCNC(=O)COCc1nncn1C)C(N)=O ZINC001146208465 781481923 /nfs/dbraw/zinc/48/19/23/781481923.db2.gz LZQILYJGDGMQOA-MRVPVSSYSA-N 0 3 284.320 -2.089 20 0 CAADHN CCNC(=O)CNCCNC(=O)COCc1nncn1C ZINC001146209183 781481939 /nfs/dbraw/zinc/48/19/39/781481939.db2.gz XPILDCWJJIKZOJ-UHFFFAOYSA-N 0 3 298.347 -1.826 20 0 CAADHN CC[C@@H](NCCNC(=O)COCc1ncnn1C)C(N)=O ZINC001146200780 781482097 /nfs/dbraw/zinc/48/20/97/781482097.db2.gz OMQWEQNNRZLVKG-SECBINFHSA-N 0 3 298.347 -1.699 20 0 CAADHN Cn1cnnc1COCC(=O)NCCN[C@@H]1CCNC1=O ZINC001146209521 781482135 /nfs/dbraw/zinc/48/21/35/781482135.db2.gz YYSYRGWJKOREMN-SECBINFHSA-N 0 3 296.331 -2.074 20 0 CAADHN Cn1cnnc1COCC(=O)NCCNCC(N)=O ZINC001146208048 781482223 /nfs/dbraw/zinc/48/22/23/781482223.db2.gz GEJIIYJYPWQPRQ-UHFFFAOYSA-N 0 3 270.293 -2.477 20 0 CAADHN Cn1ncnc1COCC(=O)NCCN[C@H]1CCNC1=O ZINC001146191599 781482581 /nfs/dbraw/zinc/48/25/81/781482581.db2.gz XCFFHWNMNNJWNT-VIFPVBQESA-N 0 3 296.331 -2.074 20 0 CAADHN COCCC(C)(C)C(=O)NCCNCC(=O)NC(N)=O ZINC001146221692 781482609 /nfs/dbraw/zinc/48/26/09/781482609.db2.gz DWPULLBQDOWVAZ-UHFFFAOYSA-N 0 3 288.348 -1.050 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)COCc1ncnn1C ZINC001146191152 781482689 /nfs/dbraw/zinc/48/26/89/781482689.db2.gz RETUCUZARQQEAP-UHFFFAOYSA-N 0 3 298.347 -1.874 20 0 CAADHN CC[C@@H](NCCNC(=O)COCc1nncn1C)C(N)=O ZINC001146209525 781482697 /nfs/dbraw/zinc/48/26/97/781482697.db2.gz ZDCCJEVBLBCHOG-SECBINFHSA-N 0 3 298.347 -1.699 20 0 CAADHN CC[C@H](NCCNC(=O)COCc1ncnn1C)C(N)=O ZINC001146200786 781482707 /nfs/dbraw/zinc/48/27/07/781482707.db2.gz OMQWEQNNRZLVKG-VIFPVBQESA-N 0 3 298.347 -1.699 20 0 CAADHN Cc1nonc1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001146239036 781483308 /nfs/dbraw/zinc/48/33/08/781483308.db2.gz NZXAXRBVKPJVOL-ZETCQYMHSA-N 0 3 255.278 -1.500 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1nonc1C ZINC001146256095 781483637 /nfs/dbraw/zinc/48/36/37/781483637.db2.gz IWIKOQBRFGHZNO-UHFFFAOYSA-N 0 3 298.303 -1.918 20 0 CAADHN Cc1nonc1CC(=O)NCCNCC(=O)N1CCC1 ZINC001146250504 781483738 /nfs/dbraw/zinc/48/37/38/781483738.db2.gz BQDNMTSQUYEZRS-UHFFFAOYSA-N 0 3 281.316 -1.141 20 0 CAADHN Cc1nonc1CC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001146244081 781483744 /nfs/dbraw/zinc/48/37/44/781483744.db2.gz JPZGWVPQEMVPOQ-SECBINFHSA-N 0 3 281.316 -1.143 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cc1nonc1C ZINC001146238521 781484031 /nfs/dbraw/zinc/48/40/31/781484031.db2.gz JKPPTCLUWCTXQU-QMMMGPOBSA-N 0 3 269.305 -1.239 20 0 CAADHN Cc1nonc1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001146256219 781484046 /nfs/dbraw/zinc/48/40/46/781484046.db2.gz LTOCOVAXAAEJCV-MRVPVSSYSA-N 0 3 267.289 -1.485 20 0 CAADHN Cc1nonc1CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001146244188 781484061 /nfs/dbraw/zinc/48/40/61/781484061.db2.gz MLEPPSXGXJUVBP-ZETCQYMHSA-N 0 3 298.303 -1.790 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cc1nonc1C ZINC001146252362 781484191 /nfs/dbraw/zinc/48/41/91/781484191.db2.gz ZWCFEZIXGBWLBD-UHFFFAOYSA-N 0 3 269.305 -1.238 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CC[C@H]3COC[C@@H](C2)N3)CN1 ZINC001246853565 781484948 /nfs/dbraw/zinc/48/49/48/781484948.db2.gz MPUTWTYPPPOUSL-USZNOCQGSA-N 0 3 269.345 -1.047 20 0 CAADHN COc1ncc(C(=O)NCCNCC(N)=O)cn1 ZINC001146500581 781485170 /nfs/dbraw/zinc/48/51/70/781485170.db2.gz IQNQCXFTHXLDMS-UHFFFAOYSA-N 0 3 253.262 -1.710 20 0 CAADHN Cc1cnoc1C(=O)NCCNCCNS(C)(=O)=O ZINC001146488456 781485373 /nfs/dbraw/zinc/48/53/73/781485373.db2.gz DWANUENIVDYYJC-UHFFFAOYSA-N 0 3 290.345 -1.148 20 0 CAADHN COc1ncc(C(=O)NCCN[C@@H](C)C(N)=O)cn1 ZINC001146500586 781485580 /nfs/dbraw/zinc/48/55/80/781485580.db2.gz IUFQXHJYNLMBJJ-ZETCQYMHSA-N 0 3 267.289 -1.322 20 0 CAADHN COc1ncc(C(=O)NCCN[C@@H]2CCNC2=O)cn1 ZINC001146500564 781485605 /nfs/dbraw/zinc/48/56/05/781485605.db2.gz IITZDPVQOQOOCZ-SECBINFHSA-N 0 3 279.300 -1.307 20 0 CAADHN COc1ncc(C(=O)NCCNCC(=O)N(C)C)cn1 ZINC001146500890 781485789 /nfs/dbraw/zinc/48/57/89/781485789.db2.gz YCVGORJKHBHDKK-UHFFFAOYSA-N 0 3 281.316 -1.107 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CC[C@H]3COC[C@@H](C2)N3)CN1 ZINC001246853558 781485886 /nfs/dbraw/zinc/48/58/86/781485886.db2.gz MPUTWTYPPPOUSL-QCNOEVLYSA-N 0 3 269.345 -1.047 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnc(OC)nc1 ZINC001146500680 781485909 /nfs/dbraw/zinc/48/59/09/781485909.db2.gz NHNYLQHBQOVOJY-UHFFFAOYSA-N 0 3 281.316 -1.059 20 0 CAADHN CN(C)C1(C)CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC001146621535 781487903 /nfs/dbraw/zinc/48/79/03/781487903.db2.gz OXLXIBACBPBBAL-GMTAPVOTSA-N 0 3 270.329 -1.438 20 0 CAADHN CC1(C)C(=O)NC(=O)N1CC(=O)NCCNCC(N)=O ZINC001146655257 781488872 /nfs/dbraw/zinc/48/88/72/781488872.db2.gz HFELNZHNZMTGJJ-UHFFFAOYSA-N 0 3 285.304 -2.492 20 0 CAADHN C[C@@H](NCCNC(=O)CN1C(=O)NC(=O)C1(C)C)C(N)=O ZINC001146661332 781489724 /nfs/dbraw/zinc/48/97/24/781489724.db2.gz UXPQYVDUMRFIGU-SSDOTTSWSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](NCCNC(=O)CCc1cnccn1)C(N)=O ZINC001146727320 781490362 /nfs/dbraw/zinc/49/03/62/781490362.db2.gz FJKYTFNXDLZCAX-VIFPVBQESA-N 0 3 265.317 -1.011 20 0 CAADHN O=C(CCCn1cncn1)NCCNCC(=O)N1CCC1 ZINC001146814335 781490454 /nfs/dbraw/zinc/49/04/54/781490454.db2.gz SKDGWGLASHIRKP-UHFFFAOYSA-N 0 3 294.359 -1.004 20 0 CAADHN COc1ccc(C(=O)NCCN[C@H]2CCNC2=O)nn1 ZINC001146668515 781490753 /nfs/dbraw/zinc/49/07/53/781490753.db2.gz RTAYNBVDHFXOHY-QMMMGPOBSA-N 0 3 279.300 -1.307 20 0 CAADHN CCC(=O)N1CC[C@H](C(=O)NCCNCC(=O)NC)C1 ZINC001146896965 781492757 /nfs/dbraw/zinc/49/27/57/781492757.db2.gz ZLFFAMRCIAHENH-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001146896792 781492823 /nfs/dbraw/zinc/49/28/23/781492823.db2.gz XVJQSKJVHZNURX-UHFFFAOYSA-N 0 3 296.331 -2.428 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCCn1cncn1 ZINC001146796857 781492866 /nfs/dbraw/zinc/49/28/66/781492866.db2.gz WVYJKCRTODTZDO-UHFFFAOYSA-N 0 3 282.348 -1.100 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CCC(=O)NC1=O ZINC001146870320 781492912 /nfs/dbraw/zinc/49/29/12/781492912.db2.gz ZVBFSSRFCCEADS-UHFFFAOYSA-N 0 3 285.304 -2.620 20 0 CAADHN CCC(=O)N1CC[C@@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001146903094 781493809 /nfs/dbraw/zinc/49/38/09/781493809.db2.gz RNPKSLUCTASFQY-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCC(=O)NC1=O)C(N)=O ZINC001146878469 781494029 /nfs/dbraw/zinc/49/40/29/781494029.db2.gz HSCDOVXNJGEYQM-ZETCQYMHSA-N 0 3 285.304 -2.492 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)NCCNCCF ZINC001146878813 781494114 /nfs/dbraw/zinc/49/41/14/781494114.db2.gz LTXCWAUUVOGFHO-UHFFFAOYSA-N 0 3 260.269 -1.396 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)NCCN[C@H]1CCNC1=O ZINC001146877953 781494124 /nfs/dbraw/zinc/49/41/24/781494124.db2.gz CZVIYQKWEQYMBU-QMMMGPOBSA-N 0 3 297.315 -2.477 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCC(=O)NC1=O)C(N)=O ZINC001146878467 781494218 /nfs/dbraw/zinc/49/42/18/781494218.db2.gz HSCDOVXNJGEYQM-SSDOTTSWSA-N 0 3 285.304 -2.492 20 0 CAADHN NC(=O)CNCCNC(=O)c1cn(C2CCOCC2)nn1 ZINC001146943285 781494587 /nfs/dbraw/zinc/49/45/87/781494587.db2.gz DGALXLMUBQZRBY-UHFFFAOYSA-N 0 3 296.331 -1.566 20 0 CAADHN CC(C)OC1CN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161009887 781494618 /nfs/dbraw/zinc/49/46/18/781494618.db2.gz JMLNLUVIBUFPOL-NSHDSACASA-N 0 3 269.345 -1.047 20 0 CAADHN CC(=O)N1CC[C@@](C)(C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001146987481 781495350 /nfs/dbraw/zinc/49/53/50/781495350.db2.gz YTKQMRAQWNFMOU-TVQRCGJNSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)N1CC[C@](C)(C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001146987482 781495378 /nfs/dbraw/zinc/49/53/78/781495378.db2.gz YTKQMRAQWNFMOU-ZANVPECISA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@]1(C)CCN(C(C)=O)C1 ZINC001146987426 781495483 /nfs/dbraw/zinc/49/54/83/781495483.db2.gz XPYOVYDINABVDH-CYBMUJFWSA-N 0 3 284.360 -1.303 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001146977097 781495936 /nfs/dbraw/zinc/49/59/36/781495936.db2.gz BPGIDJMOKLOIRO-QMMMGPOBSA-N 0 3 265.317 -1.294 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001146977097 781495937 /nfs/dbraw/zinc/49/59/37/781495937.db2.gz BPGIDJMOKLOIRO-QMMMGPOBSA-N 0 3 265.317 -1.294 20 0 CAADHN CC(=O)N1CC[C@@](C)(C(=O)NCCNCC(N)=O)C1 ZINC001146987168 781495968 /nfs/dbraw/zinc/49/59/68/781495968.db2.gz VVCPKXQIUMIIBQ-GFCCVEGCSA-N 0 3 270.333 -1.564 20 0 CAADHN CC(=O)N1CC[C@@](C)(C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001146987195 781496222 /nfs/dbraw/zinc/49/62/22/781496222.db2.gz WDKXXSUHKQTOLH-SMDDNHRTSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC001147003840 781497418 /nfs/dbraw/zinc/49/74/18/781497418.db2.gz ONZAZOQADAWAQJ-CABZTGNLSA-N 0 3 255.318 -1.135 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001147007755 781497920 /nfs/dbraw/zinc/49/79/20/781497920.db2.gz AHMWAUDPRXNHNM-TVQRCGJNSA-N 0 3 298.343 -1.426 20 0 CAADHN O=C(CNCCNC(=O)CC(=O)NCC1CC1)NC1CC1 ZINC001147084948 781498430 /nfs/dbraw/zinc/49/84/30/781498430.db2.gz SWBMLNAAGFOGPA-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CC(=O)NCC1CC1 ZINC001147084947 781498592 /nfs/dbraw/zinc/49/85/92/781498592.db2.gz SVUMHLJZQOXSRT-UHFFFAOYSA-N 0 3 299.331 -2.197 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001147011492 781498806 /nfs/dbraw/zinc/49/88/06/781498806.db2.gz XTRHAUWMLOOTLA-QPUJVOFHSA-N 0 3 284.316 -1.686 20 0 CAADHN O=C(CC(=O)NCC1CC1)NCCN[C@H]1CCCNC1=O ZINC001147084150 781498970 /nfs/dbraw/zinc/49/89/70/781498970.db2.gz JGZVBZWGSLYNQL-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN NC(=O)CNCCNC(=O)c1cn([C@H]2CCOC2)nn1 ZINC001147015066 781498985 /nfs/dbraw/zinc/49/89/85/781498985.db2.gz LIISFYZPGRWRFZ-QMMMGPOBSA-N 0 3 282.304 -1.956 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC001147011491 781499141 /nfs/dbraw/zinc/49/91/41/781499141.db2.gz XTRHAUWMLOOTLA-PRHODGIISA-N 0 3 284.316 -1.686 20 0 CAADHN NC(=O)CNCCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147015065 781499357 /nfs/dbraw/zinc/49/93/57/781499357.db2.gz LIISFYZPGRWRFZ-MRVPVSSYSA-N 0 3 282.304 -1.956 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CC(=O)NCC1CC1 ZINC001147085345 781499476 /nfs/dbraw/zinc/49/94/76/781499476.db2.gz XUXCMKCBVICHPD-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@H](NCCNC(=O)c1cn([C@@H]2CCOC2)nn1)C(N)=O ZINC001147015918 781499490 /nfs/dbraw/zinc/49/94/90/781499490.db2.gz PJISFRIRPBJBAR-DTWKUNHWSA-N 0 3 296.331 -1.567 20 0 CAADHN CNC(=O)CNCCNC(=O)COCCCOC ZINC001147056580 781500172 /nfs/dbraw/zinc/50/01/72/781500172.db2.gz WHPRIXJHDSLLRN-UHFFFAOYSA-N 0 3 261.322 -1.509 20 0 CAADHN COCCCOCC(=O)NCCN[C@@H](C)C(N)=O ZINC001147061834 781500582 /nfs/dbraw/zinc/50/05/82/781500582.db2.gz IHWFKFBXHQDPEZ-VIFPVBQESA-N 0 3 261.322 -1.381 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCCCC(N)=O ZINC001147118848 781500628 /nfs/dbraw/zinc/50/06/28/781500628.db2.gz FHEGLEJWOJRVMM-UHFFFAOYSA-N 0 3 272.349 -1.174 20 0 CAADHN CNC(=O)CNCCNC(=O)CCCCC(N)=O ZINC001147119153 781501825 /nfs/dbraw/zinc/50/18/25/781501825.db2.gz OBOPTENYRNDESX-UHFFFAOYSA-N 0 3 258.322 -1.516 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCCCC(N)=O ZINC001147123595 781502179 /nfs/dbraw/zinc/50/21/79/781502179.db2.gz QLVMJDWDCVTXSY-SECBINFHSA-N 0 3 272.349 -1.128 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCCCC(N)=O ZINC001147119509 781502285 /nfs/dbraw/zinc/50/22/85/781502285.db2.gz WVLBBLNNRLHXKF-UHFFFAOYSA-N 0 3 272.349 -1.126 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CC(=O)NCC2CC2)C1=O ZINC001147092977 781502302 /nfs/dbraw/zinc/50/23/02/781502302.db2.gz RPJZCFHWZDSRHN-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CCCCC(N)=O)C1=O ZINC001147149248 781502456 /nfs/dbraw/zinc/50/24/56/781502456.db2.gz BLUNXYVVGKXRSO-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CCCCC(N)=O)C1=O ZINC001147149247 781502549 /nfs/dbraw/zinc/50/25/49/781502549.db2.gz BLUNXYVVGKXRSO-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN Cc1nc[nH]c1CC(=O)NCCNCC(=O)NC(N)=O ZINC001149124038 781502794 /nfs/dbraw/zinc/50/27/94/781502794.db2.gz PETSQIIRBRWKNP-UHFFFAOYSA-N 0 3 282.304 -1.839 20 0 CAADHN CN(C)C(=O)C1(C(=O)NCCNCC(=O)N2CCC2)CC1 ZINC001147301321 781503690 /nfs/dbraw/zinc/50/36/90/781503690.db2.gz TVVXAWQYGZMTQR-UHFFFAOYSA-N 0 3 296.371 -1.207 20 0 CAADHN CCc1noc(COCC(=O)NCCNCC(N)=O)n1 ZINC001147257959 781503767 /nfs/dbraw/zinc/50/37/67/781503767.db2.gz PGIPWLNLXNXQGN-UHFFFAOYSA-N 0 3 285.304 -1.660 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C1(C(=O)N(C)C)CC1 ZINC001147300808 781503907 /nfs/dbraw/zinc/50/39/07/781503907.db2.gz DNSNSOQXYDGUMP-UHFFFAOYSA-N 0 3 284.360 -1.351 20 0 CAADHN CN(C)C(=O)C1(C(=O)NCCNCC(N)=O)CC1 ZINC001147301095 781504645 /nfs/dbraw/zinc/50/46/45/781504645.db2.gz NPIXZHPMQMYHIF-UHFFFAOYSA-N 0 3 256.306 -1.954 20 0 CAADHN CN(C)C(=O)C1(C(=O)NCCN[C@H]2CCCNC2=O)CC1 ZINC001147301080 781504795 /nfs/dbraw/zinc/50/47/95/781504795.db2.gz MVLGXSUQYQXDON-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CCc1noc(COCC(=O)NCCNCC(=O)NC)n1 ZINC001147257710 781504815 /nfs/dbraw/zinc/50/48/15/781504815.db2.gz NBXHFOCHMOTMKI-UHFFFAOYSA-N 0 3 299.331 -1.400 20 0 CAADHN Cn1cc(CNCCNC(=O)Cc2nc[nH]n2)cn1 ZINC001147277372 781505369 /nfs/dbraw/zinc/50/53/69/781505369.db2.gz DPHOJRGOUIOTPD-UHFFFAOYSA-N 0 3 263.305 -1.013 20 0 CAADHN Cn1cncc1CNCCNC(=O)Cc1nc[nH]n1 ZINC001147277258 781505403 /nfs/dbraw/zinc/50/54/03/781505403.db2.gz APZNLZCNXZTLLB-UHFFFAOYSA-N 0 3 263.305 -1.013 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cc1nc[nH]n1 ZINC001147271724 781505748 /nfs/dbraw/zinc/50/57/48/781505748.db2.gz OTORWUDHHGOLGU-UHFFFAOYSA-N 0 3 290.349 -2.398 20 0 CAADHN CCN1CC[C@H]([NH2+]CCNC(=O)Cc2nnc[n-]2)C1=O ZINC001147264934 781505872 /nfs/dbraw/zinc/50/58/72/781505872.db2.gz RRFHEEUALYWLRP-VIFPVBQESA-N 0 3 280.332 -1.326 20 0 CAADHN CN1CC[C@@H]([NH2+]CCNC(=O)Cc2nnc[n-]2)C1=O ZINC001147271760 781506051 /nfs/dbraw/zinc/50/60/51/781506051.db2.gz QGHGGNTUZFNRRE-MRVPVSSYSA-N 0 3 266.305 -1.716 20 0 CAADHN C[C@@H]([NH2+]CCNC(=O)Cc1nnc[n-]1)C(=O)N(C)C ZINC001147265334 781506106 /nfs/dbraw/zinc/50/61/06/781506106.db2.gz ZUGQIFXJELDFRR-MRVPVSSYSA-N 0 3 268.321 -1.470 20 0 CAADHN CN1CC[C@H]([NH2+]CCNC(=O)Cc2nnc[n-]2)C1=O ZINC001147271761 781506307 /nfs/dbraw/zinc/50/63/07/781506307.db2.gz QGHGGNTUZFNRRE-QMMMGPOBSA-N 0 3 266.305 -1.716 20 0 CAADHN Cn1ccnc1CNCCNC(=O)Cc1nnc[nH]1 ZINC001147271812 781506473 /nfs/dbraw/zinc/50/64/73/781506473.db2.gz STQWJKLXAMBIJR-UHFFFAOYSA-N 0 3 263.305 -1.013 20 0 CAADHN Cn1nccc1CNCCNC(=O)Cc1nc[nH]n1 ZINC001147277876 781507327 /nfs/dbraw/zinc/50/73/27/781507327.db2.gz OXXPQNYCHLYZIP-UHFFFAOYSA-N 0 3 263.305 -1.013 20 0 CAADHN CS(=O)(=O)CCNCCNC(=O)Cc1nc[nH]n1 ZINC001147277542 781508149 /nfs/dbraw/zinc/50/81/49/781508149.db2.gz IMIGRDUVTBKMRD-UHFFFAOYSA-N 0 3 275.334 -1.902 20 0 CAADHN NC(=O)N1CCCC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001147320970 781508545 /nfs/dbraw/zinc/50/85/45/781508545.db2.gz LBVHANVKUFEZLI-ZJUUUORDSA-N 0 3 297.359 -1.486 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147321275 781508560 /nfs/dbraw/zinc/50/85/60/781508560.db2.gz NCGBKNPICFLAEN-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147320796 781508746 /nfs/dbraw/zinc/50/87/46/781508746.db2.gz IYBVQJAFPFVKHD-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147320793 781508821 /nfs/dbraw/zinc/50/88/21/781508821.db2.gz IYBVQJAFPFVKHD-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCCN1C(N)=O)C(N)=O ZINC001147320996 781508876 /nfs/dbraw/zinc/50/88/76/781508876.db2.gz LPLGYVABMSWFRU-RKDXNWHRSA-N 0 3 285.348 -1.501 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147321810 781509148 /nfs/dbraw/zinc/50/91/48/781509148.db2.gz SGYQILNPEXRECL-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147321295 781509243 /nfs/dbraw/zinc/50/92/43/781509243.db2.gz NSOTXECXSHZYAO-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CC(=O)N[C@@](C)(C(=O)NCCN[C@H]1CCNC1=O)C1CC1 ZINC001147458704 781509898 /nfs/dbraw/zinc/50/98/98/781509898.db2.gz MXJFUMCQBPFFCG-SMDDNHRTSA-N 0 3 296.371 -1.115 20 0 CAADHN CC(=O)N[C@](C)(C(=O)NCCNCC(N)=O)C1CC1 ZINC001147466141 781510425 /nfs/dbraw/zinc/51/04/25/781510425.db2.gz FBXLASXUSBQXBH-LBPRGKRZSA-N 0 3 270.333 -1.518 20 0 CAADHN CC(=O)N[C@](C)(C(=O)NCCN[C@@H]1CCNC1=O)C1CC1 ZINC001147458703 781510510 /nfs/dbraw/zinc/51/05/10/781510510.db2.gz MXJFUMCQBPFFCG-RISCZKNCSA-N 0 3 296.371 -1.115 20 0 CAADHN CC(=O)N[C@@](C)(C(=O)NCCN[C@H](C)C(N)=O)C1CC1 ZINC001147459706 781510589 /nfs/dbraw/zinc/51/05/89/781510589.db2.gz QOFSDLADYXNCMD-AMIZOPFISA-N 0 3 284.360 -1.129 20 0 CAADHN CC(=O)N[C@@](C)(C(=O)NCCN[C@@H]1CCNC1=O)C1CC1 ZINC001147458701 781510681 /nfs/dbraw/zinc/51/06/81/781510681.db2.gz MXJFUMCQBPFFCG-BXUZGUMPSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@](C)(NC(C)=O)C1CC1 ZINC001147461508 781510736 /nfs/dbraw/zinc/51/07/36/781510736.db2.gz YPXJTCCZELIDHY-ZDUSSCGKSA-N 0 3 284.360 -1.257 20 0 CAADHN Cn1cc(-c2n[nH]cc2C(=O)NCCNCC(N)=O)cn1 ZINC001147382136 781510793 /nfs/dbraw/zinc/51/07/93/781510793.db2.gz ARPXBDCOXQQDPV-UHFFFAOYSA-N 0 3 291.315 -1.385 20 0 CAADHN CC(=O)N[C@](C)(C(=O)NCCN[C@H](C)C(N)=O)C1CC1 ZINC001147459710 781510912 /nfs/dbraw/zinc/51/09/12/781510912.db2.gz QOFSDLADYXNCMD-OQPBUACISA-N 0 3 284.360 -1.129 20 0 CAADHN Cc1nc[nH]c1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001149124943 781514333 /nfs/dbraw/zinc/51/43/33/781514333.db2.gz YCKVQEYPSQYTKF-QMMMGPOBSA-N 0 3 253.306 -1.160 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c2c(nn1C)CCC2 ZINC001147628827 781514732 /nfs/dbraw/zinc/51/47/32/781514732.db2.gz VFJLZRHKSKDNTP-UHFFFAOYSA-N 0 3 279.344 -1.026 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H](C)N1CCCC1=O ZINC001147606021 781514832 /nfs/dbraw/zinc/51/48/32/781514832.db2.gz HQHQYNGAURZGJG-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CN1CCCC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1=O ZINC001147633966 781514994 /nfs/dbraw/zinc/51/49/94/781514994.db2.gz CCDJLEOHJOBBQZ-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CN1C(=O)CN(CC(=O)NCCN[C@@H]2CCNC2=O)C1=O ZINC001147645651 781515479 /nfs/dbraw/zinc/51/54/79/781515479.db2.gz XZNVIIZTVLRGCN-MRVPVSSYSA-N 0 3 297.315 -2.525 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCCN(C)C1=O)C(N)=O ZINC001147634602 781515516 /nfs/dbraw/zinc/51/55/16/781515516.db2.gz OOUSUVTVQDWIGX-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147645458 781515604 /nfs/dbraw/zinc/51/56/04/781515604.db2.gz VQHFBKOTZPJPMN-QMMMGPOBSA-N 0 3 299.331 -2.279 20 0 CAADHN Cc1nc2nccc(C(=O)NCCNCC(N)=O)n2n1 ZINC001147643967 781515756 /nfs/dbraw/zinc/51/57/56/781515756.db2.gz AUGUUDUSGVPUGQ-UHFFFAOYSA-N 0 3 277.288 -1.763 20 0 CAADHN C[C@H](CC(=O)NCCN[C@H]1CCNC1=O)N1CCCC1=O ZINC001147606850 781515794 /nfs/dbraw/zinc/51/57/94/781515794.db2.gz QOKVYCNDDPBOKV-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@H]1CCNC1=O)N1CCCC1=O ZINC001147606851 781516069 /nfs/dbraw/zinc/51/60/69/781516069.db2.gz QOKVYCNDDPBOKV-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147645222 781516149 /nfs/dbraw/zinc/51/61/49/781516149.db2.gz SDLXRJVSEZRJMA-UHFFFAOYSA-N 0 3 285.304 -2.668 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001147649462 781517289 /nfs/dbraw/zinc/51/72/89/781517289.db2.gz BBDPWEKPTMJZNJ-UHFFFAOYSA-N 0 3 292.299 -1.500 20 0 CAADHN N=c1ncc(C[NH3+])cn1C(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC001147701781 781518564 /nfs/dbraw/zinc/51/85/64/781518564.db2.gz SHQLWGFZRYQJBB-UHFFFAOYSA-N 0 3 262.229 -1.289 20 0 CAADHN N=c1cc(C[NH3+])ncn1C(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC001147700635 781519032 /nfs/dbraw/zinc/51/90/32/781519032.db2.gz CTPIHZIROWEBTH-UHFFFAOYSA-N 0 3 262.229 -1.289 20 0 CAADHN CCOC(=O)CN(CC[NH3+])C(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC001147701827 781519646 /nfs/dbraw/zinc/51/96/46/781519646.db2.gz VADIAZZDBPHTMH-UHFFFAOYSA-N 0 3 284.272 -1.148 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149222547 781521280 /nfs/dbraw/zinc/52/12/80/781521280.db2.gz ZWSFUZUNXIPFCD-GFCCVEGCSA-N 0 3 287.360 -1.336 20 0 CAADHN CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCNCC(N)=O ZINC001147778984 781521721 /nfs/dbraw/zinc/52/17/21/781521721.db2.gz VAQFDUPDBLYBFC-QMMMGPOBSA-N 0 3 273.337 -1.740 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001147778663 781521797 /nfs/dbraw/zinc/52/17/97/781521797.db2.gz QKWYPYSKOXIZOE-SECBINFHSA-N 0 3 287.364 -1.479 20 0 CAADHN C[C@H](NCCNC(=O)CS(=O)(=O)C(C)(C)C)C(N)=O ZINC001147771558 781521930 /nfs/dbraw/zinc/52/19/30/781521930.db2.gz RFVJGEAYYHGPSJ-QMMMGPOBSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](NC(N)=O)C(C)(C)C)C(N)=O ZINC001147786465 781523106 /nfs/dbraw/zinc/52/31/06/781523106.db2.gz FHXOYTOLIPMJJP-SFYZADRCSA-N 0 3 287.364 -1.351 20 0 CAADHN CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001147786413 781523326 /nfs/dbraw/zinc/52/33/26/781523326.db2.gz CYPKPVDNLCLGDG-BDAKNGLRSA-N 0 3 299.375 -1.336 20 0 CAADHN Cn1cncc1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001147871929 781524209 /nfs/dbraw/zinc/52/42/09/781524209.db2.gz SIWJNSOUFGCCBB-SNVBAGLBSA-N 0 3 265.317 -1.443 20 0 CAADHN CC(C)(C(=O)NCCNCC(=O)NC(N)=O)c1c[nH]cn1 ZINC001147907800 781524345 /nfs/dbraw/zinc/52/43/45/781524345.db2.gz IIVLJIKAGWOBOV-UHFFFAOYSA-N 0 3 296.331 -1.412 20 0 CAADHN C[C@H](NCCNC(=O)Cc1cncn1C)C(=O)NC(N)=O ZINC001147915906 781524370 /nfs/dbraw/zinc/52/43/70/781524370.db2.gz PTOANIISWMZYNE-QMMMGPOBSA-N 0 3 296.331 -1.748 20 0 CAADHN Cn1cncc1CC(=O)NCCN[C@H]1CCCNC1=O ZINC001147871988 781524462 /nfs/dbraw/zinc/52/44/62/781524462.db2.gz WFLFVSXEDBVKQA-NSHDSACASA-N 0 3 279.344 -1.053 20 0 CAADHN Cn1cncc1CC(=O)NCCNCC(=O)N1CCC1 ZINC001147900031 781524560 /nfs/dbraw/zinc/52/45/60/781524560.db2.gz HMFWJLRUESTNES-UHFFFAOYSA-N 0 3 279.344 -1.099 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1cncn1C ZINC001147871665 781524711 /nfs/dbraw/zinc/52/47/11/781524711.db2.gz HIPQCLBXRKBAIL-UHFFFAOYSA-N 0 3 296.331 -1.876 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)C[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001147877738 781524957 /nfs/dbraw/zinc/52/49/57/781524957.db2.gz OEMGNYVQCBYSFP-JTQLQIEISA-N 0 3 296.375 -1.344 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001147877738 781524964 /nfs/dbraw/zinc/52/49/64/781524964.db2.gz OEMGNYVQCBYSFP-JTQLQIEISA-N 0 3 296.375 -1.344 20 0 CAADHN CC[C@@H](NCCNC(=O)Cc1cncn1C)C(N)=O ZINC001147877242 781525436 /nfs/dbraw/zinc/52/54/36/781525436.db2.gz HUDHLBNVVWSLJI-SNVBAGLBSA-N 0 3 267.333 -1.068 20 0 CAADHN Cn1cncc1CC(=O)NCCN[C@H]1CCNC1=O ZINC001147871928 781525444 /nfs/dbraw/zinc/52/54/44/781525444.db2.gz SIWJNSOUFGCCBB-JTQLQIEISA-N 0 3 265.317 -1.443 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149446306 781526199 /nfs/dbraw/zinc/52/61/99/781526199.db2.gz CLCJWNGJGHCXJP-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccc(N(C)C)nn1 ZINC001148120908 781526415 /nfs/dbraw/zinc/52/64/15/781526415.db2.gz FSHAKXGMMRQZQJ-VIFPVBQESA-N 0 3 294.359 -1.004 20 0 CAADHN CCCNC(=O)CCC(=O)NCCNCC(N)=O ZINC001148198233 781528256 /nfs/dbraw/zinc/52/82/56/781528256.db2.gz LXXLFAAQTGYMDO-UHFFFAOYSA-N 0 3 258.322 -1.516 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccc(N(C)C)nn1 ZINC001148120907 781527146 /nfs/dbraw/zinc/52/71/46/781527146.db2.gz FSHAKXGMMRQZQJ-SECBINFHSA-N 0 3 294.359 -1.004 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149446307 781527401 /nfs/dbraw/zinc/52/74/01/781527401.db2.gz CLCJWNGJGHCXJP-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN NC(=O)C(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148181050 781528950 /nfs/dbraw/zinc/52/89/50/781528950.db2.gz JCPSHBIKTHQQQG-UHFFFAOYSA-N 0 3 271.317 -1.985 20 0 CAADHN Cn1cccc(C(=O)NCCN[C@@H]2CCCNC2=O)c1=O ZINC001148297063 781529854 /nfs/dbraw/zinc/52/98/54/781529854.db2.gz IRUGGHFWEADSBM-LLVKDONJSA-N 0 3 292.339 -1.017 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cccn(C)c1=O ZINC001148309645 781529950 /nfs/dbraw/zinc/52/99/50/781529950.db2.gz QONDJUITSXHDHJ-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN C[C@H](NCCNC(=O)CCCC(=O)N(C)C)C(N)=O ZINC001148203977 781530011 /nfs/dbraw/zinc/53/00/11/781530011.db2.gz VTKFFJZCOHTDLA-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CC[C@H](NCCNC(=O)c1cccn(C)c1=O)C(N)=O ZINC001148309999 781530108 /nfs/dbraw/zinc/53/01/08/781530108.db2.gz ZKRYSSMDTSIFTB-JTQLQIEISA-N 0 3 280.328 -1.031 20 0 CAADHN CCc1nc[nH]c1C(=O)NCCNCC(=O)NC(=O)NC ZINC001149448791 781530295 /nfs/dbraw/zinc/53/02/95/781530295.db2.gz ZXJGDHPMWXXMSD-UHFFFAOYSA-N 0 3 296.331 -1.253 20 0 CAADHN Cn1cccc(C(=O)NCCNCC(N)=O)c1=O ZINC001148297277 781530353 /nfs/dbraw/zinc/53/03/53/781530353.db2.gz OWANPZDHFHGAPF-UHFFFAOYSA-N 0 3 252.274 -1.810 20 0 CAADHN Cn1cccc(C(=O)NCCN[C@H]2CCCNC2=O)c1=O ZINC001148297064 781530645 /nfs/dbraw/zinc/53/06/45/781530645.db2.gz IRUGGHFWEADSBM-NSHDSACASA-N 0 3 292.339 -1.017 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cccn(C)c1=O ZINC001148289047 781530881 /nfs/dbraw/zinc/53/08/81/781530881.db2.gz ILGNLOCRDTXWKD-UHFFFAOYSA-N 0 3 266.301 -1.549 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148426468 781532558 /nfs/dbraw/zinc/53/25/58/781532558.db2.gz AFBUTVBVRJGQFF-QMMMGPOBSA-N 0 3 292.361 -2.480 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417662 781533284 /nfs/dbraw/zinc/53/32/84/781533284.db2.gz GIUFZXLJLDLCOP-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001148431300 781533471 /nfs/dbraw/zinc/53/34/71/781533471.db2.gz AXBIHRWCCFWHSL-MNOVXSKESA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC(=O)N1)C(=O)NC(N)=O ZINC001148432721 781533489 /nfs/dbraw/zinc/53/34/89/781533489.db2.gz LCGUZZMEFOBVCI-RQJHMYQMSA-N 0 3 285.304 -2.446 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001148436862 781533612 /nfs/dbraw/zinc/53/36/12/781533612.db2.gz DWBGTQMGWCPUQZ-WPRPVWTQSA-N 0 3 270.333 -1.423 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001148427931 781533790 /nfs/dbraw/zinc/53/37/90/781533790.db2.gz VSHDBARDZJXJNW-DTWKUNHWSA-N 0 3 268.317 -1.799 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCC(=O)N1)N1CCCCC1 ZINC001148417354 781533923 /nfs/dbraw/zinc/53/39/23/781533923.db2.gz AENPGNULQYTIPJ-NSHDSACASA-N 0 3 296.371 -1.017 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001148427561 781534189 /nfs/dbraw/zinc/53/41/89/781534189.db2.gz NXIOHZDAPLESQM-SFYZADRCSA-N 0 3 256.306 -1.765 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001148433512 781534216 /nfs/dbraw/zinc/53/42/16/781534216.db2.gz TUUQSPZEOQGBEX-LBPRGKRZSA-N 0 3 296.371 -1.065 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148427611 781534235 /nfs/dbraw/zinc/53/42/35/781534235.db2.gz PNGRGPFETHGLLB-YUMQZZPRSA-N 0 3 299.331 -2.185 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC(=O)N1)C(=O)NC(N)=O ZINC001148432693 781534277 /nfs/dbraw/zinc/53/42/77/781534277.db2.gz LCGUZZMEFOBVCI-BQBZGAKWSA-N 0 3 285.304 -2.446 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001148427294 781534367 /nfs/dbraw/zinc/53/43/67/781534367.db2.gz NEXXKFYYENMUCH-ONGXEEELSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC(=O)N1)C(=O)NC1CC1 ZINC001148433842 781534380 /nfs/dbraw/zinc/53/43/80/781534380.db2.gz XPPCACLUWOPDFZ-WPRPVWTQSA-N 0 3 282.344 -1.362 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCC(=O)N1)N1CCCC1 ZINC001148417917 781534799 /nfs/dbraw/zinc/53/47/99/781534799.db2.gz MZQXETYNIAEJFU-JTQLQIEISA-N 0 3 282.344 -1.407 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@@H]2CCC(=O)N2)cn1 ZINC001148418154 781534826 /nfs/dbraw/zinc/53/48/26/781534826.db2.gz UZVROCZKUYVCRQ-JTQLQIEISA-N 0 3 265.317 -1.096 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417705 781535052 /nfs/dbraw/zinc/53/50/52/781535052.db2.gz HJFQIPKPYJQYMU-QMMMGPOBSA-N 0 3 256.306 -1.893 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCCN1C(C)=O)C(N)=O ZINC001148449972 781535090 /nfs/dbraw/zinc/53/50/90/781535090.db2.gz XIGSGDGILKWUQL-QWRGUYRKSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(=O)N[C@@H](C(=O)NCCN[C@H]1CCNC1=O)C(C)C ZINC001148465751 781535173 /nfs/dbraw/zinc/53/51/73/781535173.db2.gz KUYMBXDIGHNCOR-WDEREUQCSA-N 0 3 284.360 -1.259 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CCC(=O)N1 ZINC001148418111 781535228 /nfs/dbraw/zinc/53/52/28/781535228.db2.gz TYEGYLUKKOQYLK-BDAKNGLRSA-N 0 3 268.317 -1.751 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCN1C(C)=O ZINC001148450187 781535304 /nfs/dbraw/zinc/53/53/04/781535304.db2.gz ZUAVAKMFIUTPPN-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1CCC(=O)N1 ZINC001148422818 781535366 /nfs/dbraw/zinc/53/53/66/781535366.db2.gz QXGABXWSNDUTHU-YUMQZZPRSA-N 0 3 282.300 -2.224 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148470733 781535524 /nfs/dbraw/zinc/53/55/24/781535524.db2.gz OGMPMNMWROWVTQ-GXSJLCMTSA-N 0 3 286.376 -1.013 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148466341 781535896 /nfs/dbraw/zinc/53/58/96/781535896.db2.gz YCJDRJGVPGQQDY-LLVKDONJSA-N 0 3 272.349 -1.401 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148418306 781535933 /nfs/dbraw/zinc/53/59/33/781535933.db2.gz YGNJPKVSAHLOMU-VIFPVBQESA-N 0 3 270.333 -1.503 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCC(=O)N1)NCC1CC1 ZINC001148418296 781535945 /nfs/dbraw/zinc/53/59/45/781535945.db2.gz YDNPKVIOIBRGPF-JTQLQIEISA-N 0 3 282.344 -1.503 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1nc(C)ccc1=O ZINC001148557517 781536215 /nfs/dbraw/zinc/53/62/15/781536215.db2.gz RVWZVMIDQFYKHZ-UHFFFAOYSA-N 0 3 281.316 -1.996 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1nc(C)ccc1=O)C(N)=O ZINC001148560015 781536633 /nfs/dbraw/zinc/53/66/33/781536633.db2.gz SVDWJLWCNGCULL-JTQLQIEISA-N 0 3 295.343 -1.479 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H]2CCNC2=O)CCC1 ZINC001148604018 781536693 /nfs/dbraw/zinc/53/66/93/781536693.db2.gz ZLJVQFDTASJPMN-SECBINFHSA-N 0 3 282.344 -1.503 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1nc(C)ccc1=O ZINC001148570655 781536980 /nfs/dbraw/zinc/53/69/80/781536980.db2.gz JNXVPZCCJJADFD-UHFFFAOYSA-N 0 3 295.343 -1.606 20 0 CAADHN Cc1ccc(=O)n(CC(=O)NCCNCC(N)=O)n1 ZINC001148571029 781537297 /nfs/dbraw/zinc/53/72/97/781537297.db2.gz SGEIRABVAKPIKA-UHFFFAOYSA-N 0 3 267.289 -2.257 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1nc(C)ccc1=O ZINC001148557304 781537566 /nfs/dbraw/zinc/53/75/66/781537566.db2.gz CXVPXMAETVFYLK-JTQLQIEISA-N 0 3 295.343 -1.608 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001149463467 781538041 /nfs/dbraw/zinc/53/80/41/781538041.db2.gz BXVBGRAMSYRMEW-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CCCN(C)CC(=O)NCCNCc1nnnn1C ZINC001148638062 781538239 /nfs/dbraw/zinc/53/82/39/781538239.db2.gz AHRLXQHPUSPUAQ-UHFFFAOYSA-N 0 3 269.353 -1.242 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149464464 781538536 /nfs/dbraw/zinc/53/85/36/781538536.db2.gz XCNAUGHQOZNXRD-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)c1ccccc1)C(N)=O ZINC001148716085 781539262 /nfs/dbraw/zinc/53/92/62/781539262.db2.gz NDENSDOVSNFASK-SNVBAGLBSA-N 0 3 292.339 -1.004 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)c1ccccc1)C(N)=O ZINC001148716084 781539591 /nfs/dbraw/zinc/53/95/91/781539591.db2.gz NDENSDOVSNFASK-JTQLQIEISA-N 0 3 292.339 -1.004 20 0 CAADHN C[C@H](O)CN1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149483332 781540187 /nfs/dbraw/zinc/54/01/87/781540187.db2.gz ZFIBLIBJSABTDZ-VHSXEESVSA-N 0 3 273.333 -1.550 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCN[C@H]2CCN(C)C2=O)C1 ZINC001149326000 781540593 /nfs/dbraw/zinc/54/05/93/781540593.db2.gz YUVGADHOCFALPU-RYUDHWBXSA-N 0 3 296.371 -1.209 20 0 CAADHN COCC(=O)NC[C@@H]1CN(C[C@@H](O)COC)CCCO1 ZINC001149002916 781540629 /nfs/dbraw/zinc/54/06/29/781540629.db2.gz UGSBXFMILOMEGL-VXGBXAGGSA-N 0 3 290.360 -1.153 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)COc1ccccc1 ZINC001148860088 781541064 /nfs/dbraw/zinc/54/10/64/781541064.db2.gz ZSOHORUZELRKAT-UHFFFAOYSA-N 0 3 294.311 -1.034 20 0 CAADHN C[C@@H](O)CN1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149483333 781541096 /nfs/dbraw/zinc/54/10/96/781541096.db2.gz ZFIBLIBJSABTDZ-ZJUUUORDSA-N 0 3 273.333 -1.550 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001149530711 781542212 /nfs/dbraw/zinc/54/22/12/781542212.db2.gz NGZTYAQDDLKAGM-GHMZBOCLSA-N 0 3 298.343 -2.172 20 0 CAADHN NC(=O)CC(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001149489296 781543131 /nfs/dbraw/zinc/54/31/31/781543131.db2.gz IIARNBMGNHNNKH-SNVBAGLBSA-N 0 3 273.333 -1.549 20 0 CAADHN Cc1nn(CC(=O)NCCNCC(N)=O)c(=O)n1C ZINC001149576302 781544353 /nfs/dbraw/zinc/54/43/53/781544353.db2.gz AAFKISIAABCFSW-UHFFFAOYSA-N 0 3 270.293 -2.919 20 0 CAADHN Cc1nn[nH]c1C(=O)N1C[C@H]2CN(CC(N)=O)C[C@@]2(C)C1 ZINC001091906644 781544713 /nfs/dbraw/zinc/54/47/13/781544713.db2.gz WZELYFWGCIZTNP-RNCFNFMXSA-N 0 3 292.343 -1.008 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001091971916 781544977 /nfs/dbraw/zinc/54/49/77/781544977.db2.gz SKYRLSRDDZRQFC-KKFJDGPESA-N 0 3 282.344 -1.484 20 0 CAADHN CCCNC(=O)CNS(=O)(=O)N1CCNCC1 ZINC000036781312 781553419 /nfs/dbraw/zinc/55/34/19/781553419.db2.gz QHWZDFCTHRZUKR-UHFFFAOYSA-N 0 3 264.351 -1.748 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NC2CC2)C1 ZINC001036806064 781554171 /nfs/dbraw/zinc/55/41/71/781554171.db2.gz IZODZWQTGKEDLQ-KOLCDFICSA-N 0 3 294.355 -1.327 20 0 CAADHN CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036806339 781554891 /nfs/dbraw/zinc/55/48/91/781554891.db2.gz NOWBKZQCSGNEDO-NXEZZACHSA-N 0 3 282.344 -1.517 20 0 CAADHN NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[n-]3)CC[C@H]21 ZINC001036865535 781559442 /nfs/dbraw/zinc/55/94/42/781559442.db2.gz OVCAZWIJAUCTSA-NXEZZACHSA-N 0 3 292.343 -1.245 20 0 CAADHN NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[n-]3)CC[C@H]21 ZINC001036865535 781559450 /nfs/dbraw/zinc/55/94/50/781559450.db2.gz OVCAZWIJAUCTSA-NXEZZACHSA-N 0 3 292.343 -1.245 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)C1CCCCC1 ZINC001149871624 781564082 /nfs/dbraw/zinc/56/40/82/781564082.db2.gz RJZZZKWYEMKRIT-UHFFFAOYSA-N 0 3 284.360 -1.126 20 0 CAADHN C[C@@H]1NC(=O)N(CCNC2(C(N)=O)CCOCC2)C1=O ZINC001171820887 781573094 /nfs/dbraw/zinc/57/30/94/781573094.db2.gz SYPQKYMOQRTBFZ-QMMMGPOBSA-N 0 3 284.316 -1.449 20 0 CAADHN CCN1CC[C@@H](N[C@@H](C)C(=O)NCC(N)=O)CC1=O ZINC001172031192 781573729 /nfs/dbraw/zinc/57/37/29/781573729.db2.gz OSUWXTODNXLYOC-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](N[C@@H]1CCN(C2CC2)C(=O)C1)C(=O)NCC(N)=O ZINC001172005724 781573860 /nfs/dbraw/zinc/57/38/60/781573860.db2.gz SWASVUKMEJDZSF-DTWKUNHWSA-N 0 3 282.344 -1.281 20 0 CAADHN CCN1CC[C@H](NCC(=O)NCC(=O)OC)CC1=O ZINC001172034938 781574469 /nfs/dbraw/zinc/57/44/69/781574469.db2.gz HEVNHSHNNXWJMF-VIFPVBQESA-N 0 3 271.317 -1.124 20 0 CAADHN CCN1CC[C@@H](N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)CC1=O ZINC001172043688 781574483 /nfs/dbraw/zinc/57/44/83/781574483.db2.gz QGQZINTXCQOTKS-LPEHRKFASA-N 0 3 284.360 -1.035 20 0 CAADHN NC(=O)C[C@H](N[C@H]1CCN2C(=O)CC[C@H]2C1)C(N)=O ZINC001172170239 781576512 /nfs/dbraw/zinc/57/65/12/781576512.db2.gz IVLSVSQUUAHEIU-CIUDSAMLSA-N 0 3 268.317 -1.541 20 0 CAADHN NC(=O)C[C@H](N[C@H]1CCN2C(=O)CC[C@@H]2C1)C(N)=O ZINC001172170242 781576603 /nfs/dbraw/zinc/57/66/03/781576603.db2.gz IVLSVSQUUAHEIU-YIZRAAEISA-N 0 3 268.317 -1.541 20 0 CAADHN NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn[n-]n1)C2 ZINC001094951673 781577194 /nfs/dbraw/zinc/57/71/94/781577194.db2.gz IZHXPGBFIQWUSR-YIZRAAEISA-N 0 3 278.316 -1.127 20 0 CAADHN COC(=O)[C@@H]1CCC[C@@H](NCC(=O)NCC(N)=O)C1 ZINC001172613288 781577516 /nfs/dbraw/zinc/57/75/16/781577516.db2.gz VJNKSVRPLOLEOW-RKDXNWHRSA-N 0 3 271.317 -1.091 20 0 CAADHN CCN1CC[C@@H](NCC(=O)NCC(=O)NCC(N)=O)C1 ZINC001173359437 781578734 /nfs/dbraw/zinc/57/87/34/781578734.db2.gz UOIHZDSQVXFSML-SECBINFHSA-N 0 3 285.348 -2.612 20 0 CAADHN CCSC[C@H](C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001173296247 781579387 /nfs/dbraw/zinc/57/93/87/781579387.db2.gz QFPPCGREZPYGNL-FHMMKVKMSA-N 0 3 281.374 -1.483 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nc[n-]n1)C2 ZINC001095018254 781579477 /nfs/dbraw/zinc/57/94/77/781579477.db2.gz ZTKWONQTWIYYIY-CIUDSAMLSA-N 0 3 278.316 -1.127 20 0 CAADHN CCSC[C@@H](C)NCC(=O)NCC(=O)NCC(N)=O ZINC001173300449 781579681 /nfs/dbraw/zinc/57/96/81/781579681.db2.gz HSJLTOYGGLKSFK-MRVPVSSYSA-N 0 3 290.389 -1.565 20 0 CAADHN NC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1nc[n-]n1)C2 ZINC001095018255 781579793 /nfs/dbraw/zinc/57/97/93/781579793.db2.gz ZTKWONQTWIYYIY-YIZRAAEISA-N 0 3 278.316 -1.127 20 0 CAADHN CCN1CC[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001173354731 781579807 /nfs/dbraw/zinc/57/98/07/781579807.db2.gz JFIXEAGYUMYBJW-OJEYFTNHSA-N 0 3 276.333 -2.530 20 0 CAADHN Cn1cc(CN[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)C(N)=O)C3)nn1 ZINC001094989549 781579825 /nfs/dbraw/zinc/57/98/25/781579825.db2.gz NXNCHNVDAWPSFA-NGZCFLSTSA-N 0 3 292.343 -1.231 20 0 CAADHN C[C@H]1C[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CCO1 ZINC001173169287 781579875 /nfs/dbraw/zinc/57/98/75/781579875.db2.gz CBDIGLOQQMCDQO-WOJZYHHGSA-N 0 3 277.317 -2.057 20 0 CAADHN CCN1CC[C@@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001173354739 781580167 /nfs/dbraw/zinc/58/01/67/781580167.db2.gz JFIXEAGYUMYBJW-ZKSVUJDCSA-N 0 3 276.333 -2.530 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cn1cncn1 ZINC001150243959 781581029 /nfs/dbraw/zinc/58/10/29/781581029.db2.gz PEHNGMIUJDNODO-UHFFFAOYSA-N 0 3 254.294 -1.928 20 0 CAADHN COC[C@H](O)CN1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150218699 781581132 /nfs/dbraw/zinc/58/11/32/781581132.db2.gz JGWKICQEDTXIIT-ZJUUUORDSA-N 0 3 289.332 -2.314 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NC[C@@H](O)CO)C[C@@H]1C(=O)OC ZINC001173567261 781581377 /nfs/dbraw/zinc/58/13/77/781581377.db2.gz YESORPFSVPYSMQ-DOLQZWNJSA-N 0 3 275.301 -1.330 20 0 CAADHN COC[C@H](O)CN1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150218696 781581510 /nfs/dbraw/zinc/58/15/10/781581510.db2.gz JGWKICQEDTXIIT-NXEZZACHSA-N 0 3 289.332 -2.314 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150261240 781582608 /nfs/dbraw/zinc/58/26/08/781582608.db2.gz KUCGGLXFCJABPK-UHFFFAOYSA-N 0 3 283.292 -2.561 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NCCN[C@H]1CCCNC1=O ZINC001150332443 781582647 /nfs/dbraw/zinc/58/26/47/781582647.db2.gz UPHCPSPSGZQZKH-QMMMGPOBSA-N 0 3 297.315 -2.477 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)Cn1cncn1 ZINC001150250170 781582802 /nfs/dbraw/zinc/58/28/02/781582802.db2.gz PQMRGHAZUZJUQA-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN C[C@@H](NCCNC(=O)CN1C(=O)CN(C)C1=O)C(N)=O ZINC001150332417 781582820 /nfs/dbraw/zinc/58/28/20/781582820.db2.gz TVTUANHFKIHHLD-SSDOTTSWSA-N 0 3 285.304 -2.540 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150260013 781582842 /nfs/dbraw/zinc/58/28/42/781582842.db2.gz APFUCLATFVSHMH-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN C[C@@]1(C(=O)NC[C@H]2CN(CCO)CCCO2)CCNC1=O ZINC001150318038 781582866 /nfs/dbraw/zinc/58/28/66/781582866.db2.gz KEPZENWIZOJBCX-SMDDNHRTSA-N 0 3 299.371 -1.288 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001150332454 781583064 /nfs/dbraw/zinc/58/30/64/781583064.db2.gz VHCFHGBJRANJAT-UHFFFAOYSA-N 0 3 299.331 -2.326 20 0 CAADHN C[C@H](NCCNC(=O)Cn1cncn1)C(=O)NC1CC1 ZINC001150250500 781583112 /nfs/dbraw/zinc/58/31/12/781583112.db2.gz YZQAZZWUMGCFQI-VIFPVBQESA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H]2CN(CCO)CCCO2)CCNC1=O ZINC001150318033 781583240 /nfs/dbraw/zinc/58/32/40/781583240.db2.gz KEPZENWIZOJBCX-BXUZGUMPSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@]1(C(=O)NC[C@@H]2CN(CCO)CCCO2)CCNC1=O ZINC001150318036 781583612 /nfs/dbraw/zinc/58/36/12/781583612.db2.gz KEPZENWIZOJBCX-RISCZKNCSA-N 0 3 299.371 -1.288 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)Cn1cncn1 ZINC001150250169 781583711 /nfs/dbraw/zinc/58/37/11/781583711.db2.gz PQMRGHAZUZJUQA-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)CCNC(N)=O)C1=O ZINC001150432099 781585568 /nfs/dbraw/zinc/58/55/68/781585568.db2.gz LEQXSSICLBHVSZ-JTQLQIEISA-N 0 3 299.375 -1.240 20 0 CAADHN Cn1cc(CNCCNC(=O)CCNC(N)=O)cn1 ZINC001150424602 781586343 /nfs/dbraw/zinc/58/63/43/781586343.db2.gz VRRAPDUTFMZNLN-UHFFFAOYSA-N 0 3 268.321 -1.316 20 0 CAADHN Cn1cncc1CNCCNC(=O)CCNC(N)=O ZINC001150423866 781586984 /nfs/dbraw/zinc/58/69/84/781586984.db2.gz KTEHAYIHZKNGBZ-UHFFFAOYSA-N 0 3 268.321 -1.316 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CCNC(N)=O ZINC001150424563 781588524 /nfs/dbraw/zinc/58/85/24/781588524.db2.gz TZVFXRLUFBJBGP-UHFFFAOYSA-N 0 3 273.337 -1.723 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)N[C@@]12CCN(C1)CCC2 ZINC001175053655 781589056 /nfs/dbraw/zinc/58/90/56/781589056.db2.gz HLAMYSCEYIDLDW-KWQFWETISA-N 0 3 256.306 -1.630 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1nccnc1C(N)=O ZINC001150444962 781589565 /nfs/dbraw/zinc/58/95/65/781589565.db2.gz XPKGENBDTJTRMV-ZETCQYMHSA-N 0 3 294.315 -1.971 20 0 CAADHN NC(=O)CNCCNC(=O)CN1C(=O)CCC1=O ZINC001150473950 781589762 /nfs/dbraw/zinc/58/97/62/781589762.db2.gz WAKADATYMJWCHY-UHFFFAOYSA-N 0 3 256.262 -2.674 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1nccnc1C(N)=O ZINC001150444869 781590184 /nfs/dbraw/zinc/59/01/84/781590184.db2.gz XPKGENBDTJTRMV-SSDOTTSWSA-N 0 3 294.315 -1.971 20 0 CAADHN CCn1nncc1CNCCCNC(=O)CCNC(N)=O ZINC001175566932 781593362 /nfs/dbraw/zinc/59/33/62/781593362.db2.gz GJVKNFOHRLXYLH-UHFFFAOYSA-N 0 3 297.363 -1.048 20 0 CAADHN NC(=O)N1CCC(C(=O)NCCN[C@@H]2CCNC2=O)CC1 ZINC001150517873 781594753 /nfs/dbraw/zinc/59/47/53/781594753.db2.gz QACKYQFFTIFNRP-SNVBAGLBSA-N 0 3 297.359 -1.629 20 0 CAADHN CC[C@H](NCCNC(=O)C1CCN(C(N)=O)CC1)C(N)=O ZINC001150517149 781594953 /nfs/dbraw/zinc/59/49/53/781594953.db2.gz JAOYELUJSGNCBD-JTQLQIEISA-N 0 3 299.375 -1.253 20 0 CAADHN Cc1nc(C)c(CC(=O)NCCC[NH2+]CC(N)=O)c(=O)[n-]1 ZINC001176004508 781598221 /nfs/dbraw/zinc/59/82/21/781598221.db2.gz QAGCVBANTCTMNY-UHFFFAOYSA-N 0 3 295.343 -1.077 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1ccccc1=O ZINC001150589312 781602385 /nfs/dbraw/zinc/60/23/85/781602385.db2.gz BEPHATLSLQXMMV-UHFFFAOYSA-N 0 3 266.301 -1.700 20 0 CAADHN O=C(Cn1cncn1)NC[C@@H]1CN(CCCO)CCCO1 ZINC001150676855 781617377 /nfs/dbraw/zinc/61/73/77/781617377.db2.gz ABZWEIGBBLTYHE-GFCCVEGCSA-N 0 3 297.359 -1.132 20 0 CAADHN CN1CCC[C@H](NCc2cn(CC(N)=O)nn2)C1 ZINC001177437610 781620536 /nfs/dbraw/zinc/62/05/36/781620536.db2.gz PWZZEVOZBNLCQN-VIFPVBQESA-N 0 3 252.322 -1.053 20 0 CAADHN CCN1CCCO[C@@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001150731598 781623423 /nfs/dbraw/zinc/62/34/23/781623423.db2.gz NSQWXJXVFRTISA-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN COCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001177983540 781628015 /nfs/dbraw/zinc/62/80/15/781628015.db2.gz REWHGJZRHCWIKJ-CIUDSAMLSA-N 0 3 286.332 -1.205 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001178041517 781628913 /nfs/dbraw/zinc/62/89/13/781628913.db2.gz CKYJFGZZGQHCIX-WEDXCCLWSA-N 0 3 270.333 -1.425 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCCO1 ZINC001178062434 781629010 /nfs/dbraw/zinc/62/90/10/781629010.db2.gz PINKNJXOVFFBBK-LPEHRKFASA-N 0 3 298.343 -1.061 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001178041516 781629803 /nfs/dbraw/zinc/62/98/03/781629803.db2.gz CKYJFGZZGQHCIX-NRPADANISA-N 0 3 270.333 -1.425 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCN1C(=O)CNC(N)=O ZINC001178096950 781630033 /nfs/dbraw/zinc/63/00/33/781630033.db2.gz PAVUKMRXGNMJPF-GUBZILKMSA-N 0 3 297.359 -1.536 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)CNC(N)=O ZINC001178093971 781630456 /nfs/dbraw/zinc/63/04/56/781630456.db2.gz WPHSSFXLDIZDNQ-CIUDSAMLSA-N 0 3 283.332 -1.878 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093928 781630511 /nfs/dbraw/zinc/63/05/11/781630511.db2.gz TYJVEUDAPLMYCR-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)[C@@H]1C ZINC001178211155 781630715 /nfs/dbraw/zinc/63/07/15/781630715.db2.gz RORCFGDULZEUKP-GUBZILKMSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H]1C)C(N)=O ZINC001178192465 781631155 /nfs/dbraw/zinc/63/11/55/781631155.db2.gz LYEZXZRHQXQUNN-QXEWZRGKSA-N 0 3 296.371 -1.035 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)CNC(N)=O ZINC001178093306 781631267 /nfs/dbraw/zinc/63/12/67/781631267.db2.gz GBNUKKDEUCKDSA-WPRPVWTQSA-N 0 3 297.359 -1.488 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093293 781631294 /nfs/dbraw/zinc/63/12/94/781631294.db2.gz FMLUYBJEJIQERE-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CNC(N)=O ZINC001178094014 781631327 /nfs/dbraw/zinc/63/13/27/781631327.db2.gz YKCXGEVFQLOGKI-BQBZGAKWSA-N 0 3 257.294 -2.281 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C)C(N)=O ZINC001178093355 781631407 /nfs/dbraw/zinc/63/14/07/781631407.db2.gz IHQRQQWFQTYHKM-CSMHCCOUSA-N 0 3 271.321 -1.893 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C ZINC001178211028 781631492 /nfs/dbraw/zinc/63/14/92/781631492.db2.gz LJKWTQUDTGOYLG-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COCCO2)[C@H]1C ZINC001178144452 781631513 /nfs/dbraw/zinc/63/15/13/781631513.db2.gz VGSWEDIJIGRANE-GARJFASQSA-N 0 3 285.344 -1.273 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001178163561 781631591 /nfs/dbraw/zinc/63/15/91/781631591.db2.gz WXFBFLFDDHJQCH-YWVKMMECSA-N 0 3 284.360 -1.083 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093013 781631871 /nfs/dbraw/zinc/63/18/71/781631871.db2.gz AVVRKMNAJNQGRL-UWVGGRQHSA-N 0 3 299.375 -1.242 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001178383667 781632236 /nfs/dbraw/zinc/63/22/36/781632236.db2.gz FUXAIJKKJRRSRF-UTLUCORTSA-N 0 3 284.360 -1.035 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178346534 781632375 /nfs/dbraw/zinc/63/23/75/781632375.db2.gz OIBNHRBGRZXTIX-XWLWVQCSSA-N 0 3 296.371 -1.022 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178346533 781632659 /nfs/dbraw/zinc/63/26/59/781632659.db2.gz OIBNHRBGRZXTIX-VPOLOUISSA-N 0 3 296.371 -1.022 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178384189 781633140 /nfs/dbraw/zinc/63/31/40/781633140.db2.gz UDVFIYNBDZMRKI-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CC(N)=O ZINC001178383592 781633379 /nfs/dbraw/zinc/63/33/79/781633379.db2.gz ARESJEFLSXXLRB-BQBZGAKWSA-N 0 3 285.304 -2.364 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H]1C ZINC001178415039 781634170 /nfs/dbraw/zinc/63/41/70/781634170.db2.gz ZATYAFOIGWRKRW-SRVKXCTJSA-N 0 3 298.387 -1.358 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC)[C@@H]1C ZINC001178360154 781634368 /nfs/dbraw/zinc/63/43/68/781634368.db2.gz MYUBBJZYQQWENL-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CC(N)=O ZINC001178384431 781634932 /nfs/dbraw/zinc/63/49/32/781634932.db2.gz XCJMFCYMHOTNES-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H]1C ZINC001178455778 781634628 /nfs/dbraw/zinc/63/46/28/781634628.db2.gz LXLAIXTXUAMIFO-DCAQKATOSA-N 0 3 296.371 -1.162 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178364268 781634885 /nfs/dbraw/zinc/63/48/85/781634885.db2.gz RLMDPZMMLKFBKS-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)COCCOC)[C@H]1C ZINC001178367144 781634919 /nfs/dbraw/zinc/63/49/19/781634919.db2.gz YEGWDOUQAMSNKF-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001178512813 781635283 /nfs/dbraw/zinc/63/52/83/781635283.db2.gz RMTLQYNCXYAJHH-UTLUCORTSA-N 0 3 284.360 -1.035 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](N[C@H]2CCNC2=O)[C@@H]1C ZINC001178519662 781636266 /nfs/dbraw/zinc/63/62/66/781636266.db2.gz CMAZWKCCXLLMIN-DCAQKATOSA-N 0 3 296.371 -1.020 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CC(=O)NC)[C@H]1C ZINC001178544382 781636793 /nfs/dbraw/zinc/63/67/93/781636793.db2.gz CHMRGMHAIKMLEI-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)[C@@H]1C ZINC001178548164 781637338 /nfs/dbraw/zinc/63/73/38/781637338.db2.gz SONZPNBDMBZDSO-GARJFASQSA-N 0 3 296.371 -1.068 20 0 CAADHN C[C@@H](CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C)NC(N)=O ZINC001178689019 781637368 /nfs/dbraw/zinc/63/73/68/781637368.db2.gz MNVVIJAURBVBGB-CIUDSAMLSA-N 0 3 285.348 -1.502 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](N[C@H]2CCNC2=O)[C@@H]1C ZINC001178564042 781637653 /nfs/dbraw/zinc/63/76/53/781637653.db2.gz XKHNUYPIQJNGGH-XKNYDFJKSA-N 0 3 297.359 -1.489 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178715695 781637673 /nfs/dbraw/zinc/63/76/73/781637673.db2.gz GAJUGAZJCMKEGP-GUBZILKMSA-N 0 3 295.347 -1.613 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178758556 781637730 /nfs/dbraw/zinc/63/77/30/781637730.db2.gz YSPMUBLGDLKBAX-GUBZILKMSA-N 0 3 284.360 -1.035 20 0 CAADHN CN1C[C@@H](NC(=O)CCNC(=O)CO)C(C)(C)C1 ZINC001178709981 781637791 /nfs/dbraw/zinc/63/77/91/781637791.db2.gz TZSSBKDIXKRBPR-SECBINFHSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001178552056 781637842 /nfs/dbraw/zinc/63/78/42/781637842.db2.gz UEFVTXXWNNTUAC-JBDRJPRFSA-N 0 3 285.348 -1.504 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)c1ncc[nH]1 ZINC001178637790 781637957 /nfs/dbraw/zinc/63/79/57/781637957.db2.gz RGNWIGSWDYWGBD-YUMQZZPRSA-N 0 3 294.315 -1.203 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178560103 781637988 /nfs/dbraw/zinc/63/79/88/781637988.db2.gz WPJNLTMZTRZOGK-CIUDSAMLSA-N 0 3 285.348 -1.632 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178562999 781638032 /nfs/dbraw/zinc/63/80/32/781638032.db2.gz CVSKDDLBDJZPIO-GUBZILKMSA-N 0 3 299.375 -1.242 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)[C@H]1C ZINC001178685546 781638042 /nfs/dbraw/zinc/63/80/42/781638042.db2.gz XEZYZKGPSTVYIA-UTLUCORTSA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](NCC(=O)N(C)C)[C@@H]1C ZINC001178563028 781638058 /nfs/dbraw/zinc/63/80/58/781638058.db2.gz FDNIUAZAPVHNJL-GUBZILKMSA-N 0 3 299.375 -1.290 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178563154 781638364 /nfs/dbraw/zinc/63/83/64/781638364.db2.gz GCHDSMVLTGCCKA-XKNYDFJKSA-N 0 3 299.375 -1.243 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cc2nnc(C)[nH]2)[C@H]1C ZINC001178649060 781638431 /nfs/dbraw/zinc/63/84/31/781638431.db2.gz UBELHYFVWUQXBP-WPRPVWTQSA-N 0 3 294.359 -1.019 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001178822634 781639229 /nfs/dbraw/zinc/63/92/29/781639229.db2.gz YVPXMSMCSKVBPW-ONGXEEELSA-N 0 3 296.371 -1.081 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001178850300 781640108 /nfs/dbraw/zinc/64/01/08/781640108.db2.gz UWCPVSQSSRKSAX-CIUDSAMLSA-N 0 3 285.348 -1.632 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@@H]1C ZINC001178839469 781640190 /nfs/dbraw/zinc/64/01/90/781640190.db2.gz PKJDORYZIJWMKX-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)[C@H]1C ZINC001178956843 781643582 /nfs/dbraw/zinc/64/35/82/781643582.db2.gz BCJAXNPLZZRJRO-GARJFASQSA-N 0 3 296.371 -1.020 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008893 781643909 /nfs/dbraw/zinc/64/39/09/781643909.db2.gz UKTZDBPJXBKDLE-SECBINFHSA-N 0 3 281.312 -1.275 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@H]1C ZINC001179037017 781645927 /nfs/dbraw/zinc/64/59/27/781645927.db2.gz MIFQSCDXYFVLOS-AXFHLTTASA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H]1[C@@H](NCCNS(C)(=O)=O)CCN1C(=O)C(N)=O ZINC001179446243 781647308 /nfs/dbraw/zinc/64/73/08/781647308.db2.gz DTACFQLCLYAQIW-YUMQZZPRSA-N 0 3 292.361 -2.400 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446170 781647347 /nfs/dbraw/zinc/64/73/47/781647347.db2.gz BGSIZSGLJFHJDA-BQBZGAKWSA-N 0 3 285.304 -2.494 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001179300598 781647666 /nfs/dbraw/zinc/64/76/66/781647666.db2.gz QNRPMVOPBWARPM-AXFHLTTASA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)[C@H]1C ZINC001179365366 781647724 /nfs/dbraw/zinc/64/77/24/781647724.db2.gz YTZJLCKAKVQOCD-DCAQKATOSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)C(N)=O ZINC001179446242 781647783 /nfs/dbraw/zinc/64/77/83/781647783.db2.gz DSYUNFSYWJFOOJ-WDSKDSINSA-N 0 3 271.277 -2.754 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)[C@H]1C ZINC001179365365 781647961 /nfs/dbraw/zinc/64/79/61/781647961.db2.gz YTZJLCKAKVQOCD-AXFHLTTASA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179431247 781648014 /nfs/dbraw/zinc/64/80/14/781648014.db2.gz RYGZTBDJLSEDOJ-CIUDSAMLSA-N 0 3 283.332 -2.007 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446217 781648036 /nfs/dbraw/zinc/64/80/36/781648036.db2.gz CVMZANXPBZHKCR-IUCAKERBSA-N 0 3 270.333 -1.425 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446240 781648185 /nfs/dbraw/zinc/64/81/85/781648185.db2.gz DSBCGCWXFNDWMT-FXQIFTODSA-N 0 3 256.306 -1.815 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)[C@H]1C ZINC001179300215 781648225 /nfs/dbraw/zinc/64/82/25/781648225.db2.gz JXJLNOCGJXACLD-AEJSXWLSSA-N 0 3 282.344 -1.553 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC2=O)[C@H]1C ZINC001179300599 781648295 /nfs/dbraw/zinc/64/82/95/781648295.db2.gz QNRPMVOPBWARPM-DCAQKATOSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001179326959 781648335 /nfs/dbraw/zinc/64/83/35/781648335.db2.gz GPTWWNVSSPDGNA-CIUDSAMLSA-N 0 3 270.333 -1.438 20 0 CAADHN CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446260 781648437 /nfs/dbraw/zinc/64/84/37/781648437.db2.gz FIKPGRMNWDEVDB-UWVGGRQHSA-N 0 3 284.360 -1.083 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H](COC)OC)[C@H]1C ZINC001179503078 781649434 /nfs/dbraw/zinc/64/94/34/781649434.db2.gz NJZYVWFIQRDIRG-DCAQKATOSA-N 0 3 287.360 -1.027 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446391 781649678 /nfs/dbraw/zinc/64/96/78/781649678.db2.gz KVCDZRUSJSXNFU-GUBZILKMSA-N 0 3 284.360 -1.035 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446358 781649784 /nfs/dbraw/zinc/64/97/84/781649784.db2.gz JUTGLXGGGHGOCI-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446398 781649832 /nfs/dbraw/zinc/64/98/32/781649832.db2.gz LEISXKPSBMPSCR-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452015 781649946 /nfs/dbraw/zinc/64/99/46/781649946.db2.gz MAKCBZLUMXTEMK-FXQIFTODSA-N 0 3 299.331 -2.105 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446537 781649956 /nfs/dbraw/zinc/64/99/56/781649956.db2.gz SYBBZVFTVJMDKI-YUMQZZPRSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)[C@H]1C ZINC001179699203 781650647 /nfs/dbraw/zinc/65/06/47/781650647.db2.gz LXHKOKQAMAPCFL-DCAQKATOSA-N 0 3 296.371 -1.020 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001179581871 781650889 /nfs/dbraw/zinc/65/08/89/781650889.db2.gz GJSBLVIFXQMFED-LSJOCFKGSA-N 0 3 284.360 -1.035 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001179543728 781651026 /nfs/dbraw/zinc/65/10/26/781651026.db2.gz HEJDYXAORXPPGU-JXUBOQSCSA-N 0 3 282.344 -1.567 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)[C@H]1C ZINC001179699202 781651437 /nfs/dbraw/zinc/65/14/37/781651437.db2.gz LXHKOKQAMAPCFL-AXFHLTTASA-N 0 3 296.371 -1.020 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H]1C ZINC001179543590 781651545 /nfs/dbraw/zinc/65/15/45/781651545.db2.gz DQBUESKTNRTBBB-VLEAKVRGSA-N 0 3 296.371 -1.177 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)C(=O)NCC2CC2)[C@H]1C)C(N)=O ZINC001179813168 781652074 /nfs/dbraw/zinc/65/20/74/781652074.db2.gz ZAGDVUUZFSXVNJ-YWVKMMECSA-N 0 3 296.371 -1.035 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC(=O)N(C)C ZINC001179682445 781652140 /nfs/dbraw/zinc/65/21/40/781652140.db2.gz FCMKRGWYBFXJKT-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C)C(N)=O ZINC001179682506 781652160 /nfs/dbraw/zinc/65/21/60/781652160.db2.gz IMGYGHLGPWVZFR-GUBZILKMSA-N 0 3 284.360 -1.083 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C(=O)NCC2CC2)[C@H]1C ZINC001179807240 781652374 /nfs/dbraw/zinc/65/23/74/781652374.db2.gz ZCSKDBSDNXKVHR-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CC(=O)N(C)C)[C@H]1C)C(N)=O ZINC001179682507 781652790 /nfs/dbraw/zinc/65/27/90/781652790.db2.gz IMGYGHLGPWVZFR-UTLUCORTSA-N 0 3 284.360 -1.083 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCn2cnnn2)[C@H]1C ZINC001179775943 781652804 /nfs/dbraw/zinc/65/28/04/781652804.db2.gz ZEAKKFWUCZXSMQ-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)C(=O)NCC2CC2)[C@H]1C)C(N)=O ZINC001179813167 781653100 /nfs/dbraw/zinc/65/31/00/781653100.db2.gz ZAGDVUUZFSXVNJ-QXEWZRGKSA-N 0 3 296.371 -1.035 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001180096206 781653822 /nfs/dbraw/zinc/65/38/22/781653822.db2.gz KRGOBPGXUYTVEM-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)CCNC(N)=O ZINC001180096341 781654220 /nfs/dbraw/zinc/65/42/20/781654220.db2.gz MWDGEEHORTUPEI-LPEHRKFASA-N 0 3 297.359 -1.488 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C)C(N)=O ZINC001180091939 781654500 /nfs/dbraw/zinc/65/45/00/781654500.db2.gz LUJNBNLNNKAQPF-VGMNWLOBSA-N 0 3 285.348 -1.502 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001180100909 781654884 /nfs/dbraw/zinc/65/48/84/781654884.db2.gz CVZCQTPUASCOFP-GUBZILKMSA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001179963964 781655164 /nfs/dbraw/zinc/65/51/64/781655164.db2.gz ZGMLCTIMJROEBT-DCAQKATOSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCCC(N)=O)[C@H]1C ZINC001180292700 781659657 /nfs/dbraw/zinc/65/96/57/781659657.db2.gz YOWCGFGOKWNNPA-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CC)CC(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001180390894 781664464 /nfs/dbraw/zinc/66/44/64/781664464.db2.gz BNQQWJPYABYLHQ-DCAQKATOSA-N 0 3 256.354 -2.153 20 0 CAADHN COCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001180547337 781665850 /nfs/dbraw/zinc/66/58/50/781665850.db2.gz PJQSFZNKPJEUTN-HTQZYQBOSA-N 0 3 272.305 -1.593 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COC)C1 ZINC001180539293 781665865 /nfs/dbraw/zinc/66/58/65/781665865.db2.gz KMTWROKYLWGWAL-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)COC)C1 ZINC001180539420 781665990 /nfs/dbraw/zinc/66/59/90/781665990.db2.gz OBNLFPQQEZHYGQ-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN COCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001180539725 781666532 /nfs/dbraw/zinc/66/65/32/781666532.db2.gz UBZLBVDVDUSEMB-SECBINFHSA-N 0 3 279.362 -1.628 20 0 CAADHN COCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 ZINC001180570945 781669489 /nfs/dbraw/zinc/66/94/89/781669489.db2.gz TZLBMNBXAOHBEX-SECBINFHSA-N 0 3 264.347 -1.132 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001180563367 781670075 /nfs/dbraw/zinc/67/00/75/781670075.db2.gz PSHOLIJDOQFKKQ-ZCFIWIBFSA-N 0 3 278.259 -1.102 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)COC)C1 ZINC001180570388 781670231 /nfs/dbraw/zinc/67/02/31/781670231.db2.gz KJTXEQPYZYZESH-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN COCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC2CC2)C1 ZINC001180570948 781670360 /nfs/dbraw/zinc/67/03/60/781670360.db2.gz UAWVSMWEELTGBM-SNVBAGLBSA-N 0 3 298.343 -1.189 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001180627054 781671291 /nfs/dbraw/zinc/67/12/91/781671291.db2.gz DWVCVIVEPIYWII-SNVBAGLBSA-N 0 3 298.343 -1.202 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180707111 781672387 /nfs/dbraw/zinc/67/23/87/781672387.db2.gz BXBZQVWXZDMIGM-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N(C)C2CC2)C1 ZINC001180696300 781672928 /nfs/dbraw/zinc/67/29/28/781672928.db2.gz WZIHLVZIWLPWRI-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180707335 781673063 /nfs/dbraw/zinc/67/30/63/781673063.db2.gz IKHAEUHRKAFVBN-SNVBAGLBSA-N 0 3 270.333 -1.551 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001180707225 781673092 /nfs/dbraw/zinc/67/30/92/781673092.db2.gz DNHORWVFLZGJIH-MNOVXSKESA-N 0 3 282.344 -1.408 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180707729 781674618 /nfs/dbraw/zinc/67/46/18/781674618.db2.gz QIDOPXGROPSCBE-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC(C)C)C1 ZINC001180708182 781675404 /nfs/dbraw/zinc/67/54/04/781675404.db2.gz ZWEOSURPBZSLRJ-LLVKDONJSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180722962 781675744 /nfs/dbraw/zinc/67/57/44/781675744.db2.gz UNJBDPKGGIERRG-PSASIEDQSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001180729205 781676000 /nfs/dbraw/zinc/67/60/00/781676000.db2.gz MSKRHRXVOBZCSH-VXNVDRBHSA-N 0 3 299.331 -2.104 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001180722469 781676485 /nfs/dbraw/zinc/67/64/85/781676485.db2.gz DMMQNRXFBBVHID-NXEZZACHSA-N 0 3 296.327 -1.882 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001180722470 781676858 /nfs/dbraw/zinc/67/68/58/781676858.db2.gz DMMQNRXFBBVHID-ZJUUUORDSA-N 0 3 296.327 -1.882 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001180722665 781676936 /nfs/dbraw/zinc/67/69/36/781676936.db2.gz IAZYEENRGRNTAI-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001180728593 781676950 /nfs/dbraw/zinc/67/69/50/781676950.db2.gz DKNCJSZBOLSEBS-BXKDBHETSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001180827882 781678351 /nfs/dbraw/zinc/67/83/51/781678351.db2.gz HMLCXWVSRJCZOU-BXKDBHETSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001180828298 781678526 /nfs/dbraw/zinc/67/85/26/781678526.db2.gz LLIWAWKVWGZTHN-ZYHUDNBSSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001180828486 781678616 /nfs/dbraw/zinc/67/86/16/781678616.db2.gz LVVJMASSVJKMAF-IONNQARKSA-N 0 3 299.331 -2.104 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001180827883 781678687 /nfs/dbraw/zinc/67/86/87/781678687.db2.gz HMLCXWVSRJCZOU-JOYOIKCWSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001180766717 781678927 /nfs/dbraw/zinc/67/89/27/781678927.db2.gz QJEAEJQSCAVAQE-SECBINFHSA-N 0 3 269.301 -1.189 20 0 CAADHN CSCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001180816579 781678955 /nfs/dbraw/zinc/67/89/55/781678955.db2.gz CWIBLJNSDWZVOP-SSDOTTSWSA-N 0 3 274.346 -1.265 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001180829259 781679097 /nfs/dbraw/zinc/67/90/97/781679097.db2.gz VPQJGUIEPJORPJ-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001180870800 781680685 /nfs/dbraw/zinc/68/06/85/781680685.db2.gz KIRHQDCREKTZMM-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC001180870835 781680784 /nfs/dbraw/zinc/68/07/84/781680784.db2.gz LFOUJTWUGZSUIX-SNVBAGLBSA-N 0 3 265.317 -1.030 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)cn1 ZINC001180879267 781681249 /nfs/dbraw/zinc/68/12/49/781681249.db2.gz NNBJYAGZMUHDGD-SECBINFHSA-N 0 3 294.315 -1.581 20 0 CAADHN CCN1CC[C@H](N[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001180905414 781681296 /nfs/dbraw/zinc/68/12/96/781681296.db2.gz ABUMWMGRIZYZLS-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001180905467 781681427 /nfs/dbraw/zinc/68/14/27/781681427.db2.gz CGMTXDYQQOVQSH-ZCFIWIBFSA-N 0 3 286.292 -2.960 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180905489 781681539 /nfs/dbraw/zinc/68/15/39/781681539.db2.gz DNFYFBBXBFGYEL-HTQZYQBOSA-N 0 3 271.321 -2.020 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001180871229 781681567 /nfs/dbraw/zinc/68/15/67/781681567.db2.gz RQXZXYSZYOIHFM-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001180905413 781681736 /nfs/dbraw/zinc/68/17/36/781681736.db2.gz ABUMWMGRIZYZLS-NXEZZACHSA-N 0 3 297.359 -1.534 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180905995 781681759 /nfs/dbraw/zinc/68/17/59/781681759.db2.gz JTQWNLGPWCHXRZ-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001180907057 781682551 /nfs/dbraw/zinc/68/25/51/781682551.db2.gz QGHQPYCGVMLKMW-SFYZADRCSA-N 0 3 269.305 -2.266 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001180897130 781682613 /nfs/dbraw/zinc/68/26/13/781682613.db2.gz CBMAXDOOEPCDPO-SNVBAGLBSA-N 0 3 297.359 -1.629 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897043 781682681 /nfs/dbraw/zinc/68/26/81/781682681.db2.gz AAXUTEHCURAJPU-SECBINFHSA-N 0 3 285.348 -1.677 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001180907132 781682711 /nfs/dbraw/zinc/68/27/11/781682711.db2.gz RVOHAQYESWYWHO-HTQZYQBOSA-N 0 3 297.315 -2.350 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001180907760 781682898 /nfs/dbraw/zinc/68/28/98/781682898.db2.gz XDMADELTHARGFK-SECBINFHSA-N 0 3 283.332 -1.876 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001180907056 781683124 /nfs/dbraw/zinc/68/31/24/781683124.db2.gz QGHQPYCGVMLKMW-HTQZYQBOSA-N 0 3 269.305 -2.266 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001180897567 781683504 /nfs/dbraw/zinc/68/35/04/781683504.db2.gz MWHOWIAXQJPPGI-SECBINFHSA-N 0 3 283.332 -1.923 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001180958190 781683660 /nfs/dbraw/zinc/68/36/60/781683660.db2.gz CYZCGHZANBMNQN-SECBINFHSA-N 0 3 294.315 -1.732 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@H]2COCCO2)CC1 ZINC001181004042 781685056 /nfs/dbraw/zinc/68/50/56/781685056.db2.gz OWOMJDKFEXKERP-SNVBAGLBSA-N 0 3 258.318 -1.025 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001180993809 781685087 /nfs/dbraw/zinc/68/50/87/781685087.db2.gz NDYLYWIZHOYKBZ-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001180993304 781685433 /nfs/dbraw/zinc/68/54/33/781685433.db2.gz HKCZPQIVPAOKIY-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001181124523 781686430 /nfs/dbraw/zinc/68/64/30/781686430.db2.gz SBFAMCBUIKMAKS-SNVBAGLBSA-N 0 3 270.333 -1.599 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001181082096 781686540 /nfs/dbraw/zinc/68/65/40/781686540.db2.gz QEGWIVOIPAQQAX-SSDOTTSWSA-N 0 3 280.288 -1.591 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1)NC1CC1 ZINC001181077130 781687009 /nfs/dbraw/zinc/68/70/09/781687009.db2.gz YOGDDXHVOSGTQG-VXGBXAGGSA-N 0 3 297.355 -1.129 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001181131617 781687520 /nfs/dbraw/zinc/68/75/20/781687520.db2.gz TZUAFDYWGDESRH-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001181131659 781687772 /nfs/dbraw/zinc/68/77/72/781687772.db2.gz WGKFVTYQYBEDHV-GHMZBOCLSA-N 0 3 282.344 -1.456 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001181130571 781687855 /nfs/dbraw/zinc/68/78/55/781687855.db2.gz AFXYGWVOCHCRAR-GFCCVEGCSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001181131660 781687925 /nfs/dbraw/zinc/68/79/25/781687925.db2.gz WGKFVTYQYBEDHV-MNOVXSKESA-N 0 3 282.344 -1.456 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001181131407 781688038 /nfs/dbraw/zinc/68/80/38/781688038.db2.gz PPZQICAWBPJYRR-VXGBXAGGSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001181131121 781688225 /nfs/dbraw/zinc/68/82/25/781688225.db2.gz MFKYRXMOHKZMLT-PSASIEDQSA-N 0 3 270.333 -1.471 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001181178662 781689897 /nfs/dbraw/zinc/68/98/97/781689897.db2.gz ZBXSTNSGWSUHDQ-SNVBAGLBSA-N 0 3 282.344 -1.551 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)COCC2CC2)C1 ZINC001181207857 781689994 /nfs/dbraw/zinc/68/99/94/781689994.db2.gz MCFAHTMQOZOFPC-SNVBAGLBSA-N 0 3 298.343 -1.202 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1)C(N)=O ZINC001181225345 781690065 /nfs/dbraw/zinc/69/00/65/781690065.db2.gz COUGUXOGHJSMSF-PSASIEDQSA-N 0 3 282.344 -1.423 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001181242051 781690181 /nfs/dbraw/zinc/69/01/81/781690181.db2.gz CRBPECUXMNRQPF-LLVKDONJSA-N 0 3 296.371 -1.209 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1)C(N)=O ZINC001181251229 781690556 /nfs/dbraw/zinc/69/05/56/781690556.db2.gz PMWVWTLWHBZHLR-MNOVXSKESA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cn[nH]c2)C1)C(=O)NC(N)=O ZINC001181177279 781690614 /nfs/dbraw/zinc/69/06/14/781690614.db2.gz JPWSGMNSNBXXNT-IONNQARKSA-N 0 3 294.315 -1.203 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001181250995 781690913 /nfs/dbraw/zinc/69/09/13/781690913.db2.gz MWIBPNNASAVGJS-SSDOTTSWSA-N 0 3 281.272 -1.326 20 0 CAADHN O=C(CNC(=O)C1CC1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001181242778 781690939 /nfs/dbraw/zinc/69/09/39/781690939.db2.gz MSFILRGEHBTPDE-GHMZBOCLSA-N 0 3 294.355 -1.408 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001181242793 781690943 /nfs/dbraw/zinc/69/09/43/781690943.db2.gz NDBKVDYDDOEJOW-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001181242725 781690969 /nfs/dbraw/zinc/69/09/69/781690969.db2.gz KLJRQSBKHZNMCP-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CO[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181301940 781691346 /nfs/dbraw/zinc/69/13/46/781691346.db2.gz MUFSGIUKUQHOTM-JGVFFNPUSA-N 0 3 272.305 -1.593 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001181301393 781691424 /nfs/dbraw/zinc/69/14/24/781691424.db2.gz FFOSTMWFJTZWFZ-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001181294030 781691774 /nfs/dbraw/zinc/69/17/74/781691774.db2.gz AQAMUCUUUVXPDY-SECBINFHSA-N 0 3 286.332 -1.379 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001181335498 781692069 /nfs/dbraw/zinc/69/20/69/781692069.db2.gz DIINXZGLWGZTKY-SECBINFHSA-N 0 3 291.373 -1.642 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001181302156 781692088 /nfs/dbraw/zinc/69/20/88/781692088.db2.gz OQJBPWJPPMGNSN-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001181294291 781692100 /nfs/dbraw/zinc/69/21/00/781692100.db2.gz FQRYSVFSXIMOEG-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001181301391 781692260 /nfs/dbraw/zinc/69/22/60/781692260.db2.gz FFOSTMWFJTZWFZ-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001181412584 781692609 /nfs/dbraw/zinc/69/26/09/781692609.db2.gz LUWKWAWLCFGDTN-VHSXEESVSA-N 0 3 298.343 -1.331 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001181420219 781692653 /nfs/dbraw/zinc/69/26/53/781692653.db2.gz CMFPTRUFSMCOQB-NXEZZACHSA-N 0 3 255.318 -1.041 20 0 CAADHN CO[C@@H](C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001181325169 781693772 /nfs/dbraw/zinc/69/37/72/781693772.db2.gz JCIWWEGXVJEFHW-XHNCKOQMSA-N 0 3 286.332 -1.205 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001181476770 781694190 /nfs/dbraw/zinc/69/41/90/781694190.db2.gz ULIBDLUDGNZHSA-LLVKDONJSA-N 0 3 279.344 -1.101 20 0 CAADHN CCOCCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181558985 781694375 /nfs/dbraw/zinc/69/43/75/781694375.db2.gz LQLPEALQHUUBNW-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001110245010 781694413 /nfs/dbraw/zinc/69/44/13/781694413.db2.gz YYFRVFROGBQCQM-MXWKQRLJSA-N 0 3 255.318 -1.164 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC001181501215 781694499 /nfs/dbraw/zinc/69/44/99/781694499.db2.gz JBFSGKAGYSTKHT-NXEZZACHSA-N 0 3 298.343 -1.202 20 0 CAADHN CC[C@@H](OC)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181452272 781694765 /nfs/dbraw/zinc/69/47/65/781694765.db2.gz KSAHPDIADWIVQZ-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CC(C)(C)C(=O)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181681353 781695461 /nfs/dbraw/zinc/69/54/61/781695461.db2.gz MLSVSPQWVZUDQX-MRVPVSSYSA-N 0 3 298.343 -1.013 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC001181608414 781695565 /nfs/dbraw/zinc/69/55/65/781695565.db2.gz FPPOMPPKMLYVGX-MRVPVSSYSA-N 0 3 295.299 -1.066 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181599947 781695653 /nfs/dbraw/zinc/69/56/53/781695653.db2.gz UMPZIBBMWVLDMR-GHMZBOCLSA-N 0 3 296.371 -1.020 20 0 CAADHN COC(=O)C1CC(NCCNS(=O)(=O)N(C)C)C1 ZINC001181587533 781696441 /nfs/dbraw/zinc/69/64/41/781696441.db2.gz GGKGBGCMUYVCFW-UHFFFAOYSA-N 0 3 279.362 -1.076 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181597918 781696458 /nfs/dbraw/zinc/69/64/58/781696458.db2.gz AUGXHWGYWQKOSQ-NXEZZACHSA-N 0 3 282.344 -1.456 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181599065 781696560 /nfs/dbraw/zinc/69/65/60/781696560.db2.gz LUPIWJSQVFBNBF-RKDXNWHRSA-N 0 3 268.317 -1.799 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001181590070 781696614 /nfs/dbraw/zinc/69/66/14/781696614.db2.gz JYGBXLJRGNEKQD-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001181681387 781696624 /nfs/dbraw/zinc/69/66/24/781696624.db2.gz NCZBLGGVFQUANE-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001181673209 781698004 /nfs/dbraw/zinc/69/80/04/781698004.db2.gz GDQLMCHCBTXKLN-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181760353 781698498 /nfs/dbraw/zinc/69/84/98/781698498.db2.gz JMWJSVXESPHELM-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181761083 781698600 /nfs/dbraw/zinc/69/86/00/781698600.db2.gz VJECOWALCLSVHQ-HTQZYQBOSA-N 0 3 256.306 -1.813 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181761316 781698715 /nfs/dbraw/zinc/69/87/15/781698715.db2.gz ZHWAMULMBYYIDN-MRVPVSSYSA-N 0 3 256.306 -1.860 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001181760312 781698727 /nfs/dbraw/zinc/69/87/27/781698727.db2.gz ILPUWVFXYIWQMD-VHSXEESVSA-N 0 3 298.343 -1.202 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001181768476 781698772 /nfs/dbraw/zinc/69/87/72/781698772.db2.gz GXVDTGLBUAICAA-SECBINFHSA-N 0 3 295.299 -1.398 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)N(C)C ZINC001181761245 781698827 /nfs/dbraw/zinc/69/88/27/781698827.db2.gz XTTGBPYOGBCINQ-DTWKUNHWSA-N 0 3 270.333 -1.471 20 0 CAADHN CN(C(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1)C1CC1 ZINC001181760509 781698854 /nfs/dbraw/zinc/69/88/54/781698854.db2.gz OGIFUQVGSOBIMF-SECBINFHSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](NCC(=O)NCC2CCC2)C1 ZINC001181768065 781698879 /nfs/dbraw/zinc/69/88/79/781698879.db2.gz BTQCHSXDZMWBSE-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181761204 781698890 /nfs/dbraw/zinc/69/88/90/781698890.db2.gz XQTALJCOZUAMAD-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001181759839 781698925 /nfs/dbraw/zinc/69/89/25/781698925.db2.gz CBFYJHGUQYEDQM-SNVBAGLBSA-N 0 3 282.344 -1.422 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181760354 781699002 /nfs/dbraw/zinc/69/90/02/781699002.db2.gz JMWJSVXESPHELM-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181761255 781699267 /nfs/dbraw/zinc/69/92/67/781699267.db2.gz YCFWKWBGAHTMMP-SSDOTTSWSA-N 0 3 285.304 -2.492 20 0 CAADHN COCCOCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001181699482 781699410 /nfs/dbraw/zinc/69/94/10/781699410.db2.gz ZGMPISNRWSUHHB-SECBINFHSA-N 0 3 259.306 -1.675 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)NC1CC1 ZINC001181779538 781700359 /nfs/dbraw/zinc/70/03/59/781700359.db2.gz KRFWGJNNEPZGBP-PSASIEDQSA-N 0 3 282.344 -1.281 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779143 781700398 /nfs/dbraw/zinc/70/03/98/781700398.db2.gz HACITMHGCIQDKY-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001181779976 781700514 /nfs/dbraw/zinc/70/05/14/781700514.db2.gz PZPIVIFXSZZBMF-SECBINFHSA-N 0 3 294.315 -1.662 20 0 CAADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(C)=O)C2 ZINC001110247299 781702350 /nfs/dbraw/zinc/70/23/50/781702350.db2.gz DNGHBHSOVBBPQB-LPWJVIDDSA-N 0 3 299.371 -1.149 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001182002524 781702628 /nfs/dbraw/zinc/70/26/28/781702628.db2.gz UNUKQNAAMQRVEU-NOOOWODRSA-N 0 3 282.392 -1.620 20 0 CAADHN Cn1ccc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)n1 ZINC001151074438 781702643 /nfs/dbraw/zinc/70/26/43/781702643.db2.gz YSBVNQOYHTZXQH-MRVPVSSYSA-N 0 3 279.300 -1.455 20 0 CAADHN C[NH+]1CCC(O)(C(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)CC1 ZINC001182027593 781702742 /nfs/dbraw/zinc/70/27/42/781702742.db2.gz DVCFRJIRSNNQCW-UHFFFAOYSA-N 0 3 283.288 -1.135 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001181980388 781703143 /nfs/dbraw/zinc/70/31/43/781703143.db2.gz XRMJAMPDYAAPDM-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001182002527 781703612 /nfs/dbraw/zinc/70/36/12/781703612.db2.gz UNUKQNAAMQRVEU-RHYQMDGZSA-N 0 3 282.392 -1.620 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001181989619 781703691 /nfs/dbraw/zinc/70/36/91/781703691.db2.gz WHCWDBOVPQKFGH-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN1C(=O)C1(O)CCN(C)CC1 ZINC001182034787 781704352 /nfs/dbraw/zinc/70/43/52/781704352.db2.gz UWRCZTXIZFJJSM-NSHDSACASA-N 0 3 299.371 -1.241 20 0 CAADHN CN1CCC(O)(C(=O)N2CCN(C(N)=O)CC2)CC1 ZINC001182031669 781704499 /nfs/dbraw/zinc/70/44/99/781704499.db2.gz OJMDBRNUXYZCNZ-UHFFFAOYSA-N 0 3 270.333 -1.334 20 0 CAADHN CN1CCC(O)(C(=O)N2C[C@H](O)C[C@@H]2CO)CC1 ZINC001182035781 781704566 /nfs/dbraw/zinc/70/45/66/781704566.db2.gz DTHSIKSGQJVYDK-NXEZZACHSA-N 0 3 258.318 -1.603 20 0 CAADHN CN1CCC(O)(C(=O)N2C[C@@H]3C[C@H]2C(=O)O3)CC1 ZINC001182032154 781704576 /nfs/dbraw/zinc/70/45/76/781704576.db2.gz GQUBKDHVCQHTAI-IUCAKERBSA-N 0 3 254.286 -1.031 20 0 CAADHN CN1CCC(O)(C(=O)NC[C@H]2COCCN2C)CC1 ZINC001182036236 781704586 /nfs/dbraw/zinc/70/45/86/781704586.db2.gz LTUALJHRIIRVHL-NSHDSACASA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCC(O)(C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001182034745 781704749 /nfs/dbraw/zinc/70/47/49/781704749.db2.gz ZLYOWQWXTBXEMB-DBIOUOCHSA-N 0 3 288.344 -2.338 20 0 CAADHN CN1CCC(O)(C(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC001182033760 781704892 /nfs/dbraw/zinc/70/48/92/781704892.db2.gz PNLOPNIZYJDEDQ-LLVKDONJSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCC(O)(C(=O)N2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC001182028400 781705129 /nfs/dbraw/zinc/70/51/29/781705129.db2.gz PVIHIDXAHXISCA-MNOVXSKESA-N 0 3 272.345 -1.355 20 0 CAADHN CNS(=O)(=O)CCNC(=O)C1(O)CCN(C)CC1 ZINC001182032414 781705047 /nfs/dbraw/zinc/70/50/47/781705047.db2.gz GKINYQKJEBFHOW-UHFFFAOYSA-N 0 3 279.362 -1.892 20 0 CAADHN CN1CCC(O)(C(=O)N2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001182033666 781705066 /nfs/dbraw/zinc/70/50/66/781705066.db2.gz NTMNOPDTHCPQHP-NSHDSACASA-N 0 3 297.355 -1.487 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)C1(O)CCN(C)CC1 ZINC001182036491 781705079 /nfs/dbraw/zinc/70/50/79/781705079.db2.gz SWOURBDQGXEWBK-UHFFFAOYSA-N 0 3 287.316 -2.152 20 0 CAADHN CN1C[C@@H]2CN(C(=O)C3(O)CCN(C)CC3)C[C@@H]2C1=O ZINC001182030772 781705156 /nfs/dbraw/zinc/70/51/56/781705156.db2.gz HELCTHLHBXXZJC-MNOVXSKESA-N 0 3 281.356 -1.010 20 0 CAADHN CN1CCC(O)(C(=O)NCCN2CC3(COC3)C2)CC1 ZINC001182036049 781705278 /nfs/dbraw/zinc/70/52/78/781705278.db2.gz JYAQIUNRHTVELJ-UHFFFAOYSA-N 0 3 283.372 -1.109 20 0 CAADHN CN1CCC(O)(C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)CC1 ZINC001182036962 781705301 /nfs/dbraw/zinc/70/53/01/781705301.db2.gz OJBNNFDFWNIKMX-UTLUCORTSA-N 0 3 284.364 -3.038 20 0 CAADHN CN1CCC(O)(C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)CC1 ZINC001182036960 781705529 /nfs/dbraw/zinc/70/55/29/781705529.db2.gz OJBNNFDFWNIKMX-KXUCPTDWSA-N 0 3 284.364 -3.038 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC001182034020 781705552 /nfs/dbraw/zinc/70/55/52/781705552.db2.gz OBYRAOQGDMTEHK-ZJUUUORDSA-N 0 3 298.343 -1.059 20 0 CAADHN CN1CCC(O)(C(=O)NC2(CCO)COC2)CC1 ZINC001182033783 781705569 /nfs/dbraw/zinc/70/55/69/781705569.db2.gz PUIYXOMSYLUEFU-UHFFFAOYSA-N 0 3 258.318 -1.289 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001182006985 781706247 /nfs/dbraw/zinc/70/62/47/781706247.db2.gz URHFLMHTYBNMMJ-VHSXEESVSA-N 0 3 283.328 -1.124 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001182059313 781706501 /nfs/dbraw/zinc/70/65/01/781706501.db2.gz PCAASZYYTQZYDI-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)n2cncn2)C1 ZINC001182058821 781706525 /nfs/dbraw/zinc/70/65/25/781706525.db2.gz FLYRFLGKFNHGAF-NXEZZACHSA-N 0 3 280.332 -1.224 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001182058903 781706561 /nfs/dbraw/zinc/70/65/61/781706561.db2.gz HKASMIJUKMBMHN-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001182059735 781706674 /nfs/dbraw/zinc/70/66/74/781706674.db2.gz YWLKAOKYSVRZQQ-GHMZBOCLSA-N 0 3 284.360 -1.747 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001182059550 781706712 /nfs/dbraw/zinc/70/67/12/781706712.db2.gz VQYNZWBXDFVBQS-GFCCVEGCSA-N 0 3 298.387 -1.403 20 0 CAADHN CC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@@H]1CN(C)C ZINC001182123787 781708797 /nfs/dbraw/zinc/70/87/97/781708797.db2.gz ORKMGQLHSCCVIV-RYUDHWBXSA-N 0 3 287.360 -1.338 20 0 CAADHN CC(=O)N[C@H](CCO)C(=O)N1CCOC[C@H]1CN(C)C ZINC001182123788 781708953 /nfs/dbraw/zinc/70/89/53/781708953.db2.gz ORKMGQLHSCCVIV-VXGBXAGGSA-N 0 3 287.360 -1.338 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001182121752 781708986 /nfs/dbraw/zinc/70/89/86/781708986.db2.gz PDSJYVXFAPCBIT-SECBINFHSA-N 0 3 296.331 -1.738 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001182134806 781709916 /nfs/dbraw/zinc/70/99/16/781709916.db2.gz YBQNYQNNAOCUNO-MRVPVSSYSA-N 0 3 280.332 -1.448 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001182134207 781709965 /nfs/dbraw/zinc/70/99/65/781709965.db2.gz JRGUGOZONGKBHH-SECBINFHSA-N 0 3 294.359 -1.105 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001182174299 781710068 /nfs/dbraw/zinc/71/00/68/781710068.db2.gz VLVWCSRBUNHTFN-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001182145424 781712150 /nfs/dbraw/zinc/71/21/50/781712150.db2.gz PDRYCHYZVBKPLW-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CC(=O)NC)C1 ZINC001182179979 781713142 /nfs/dbraw/zinc/71/31/42/781713142.db2.gz WBCAYYMLYGEXNN-MRVPVSSYSA-N 0 3 256.306 -1.941 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001182179596 781713169 /nfs/dbraw/zinc/71/31/69/781713169.db2.gz PRSVBCSMZPYJRV-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001182179883 781713542 /nfs/dbraw/zinc/71/35/42/781713542.db2.gz ULMCRFVJLOQZMF-HTQZYQBOSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001182179594 781713892 /nfs/dbraw/zinc/71/38/92/781713892.db2.gz PRSVBCSMZPYJRV-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001182179406 781714096 /nfs/dbraw/zinc/71/40/96/781714096.db2.gz NRKPIRNCAJUPNC-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182194202 781715125 /nfs/dbraw/zinc/71/51/25/781715125.db2.gz IKNFBAZAPLTCPL-XHNCKOQMSA-N 0 3 285.348 -1.632 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001182194725 781715156 /nfs/dbraw/zinc/71/51/56/781715156.db2.gz MLVRKDFXNRXOSZ-DJLDLDEBSA-N 0 3 283.332 -1.878 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)n[nH]1 ZINC001182195352 781715274 /nfs/dbraw/zinc/71/52/74/781715274.db2.gz UYBPUNXSLBEZFC-IONNQARKSA-N 0 3 295.347 -1.140 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182193824 781715283 /nfs/dbraw/zinc/71/52/83/781715283.db2.gz DKFFKWXTTFCVGH-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001182187921 781715331 /nfs/dbraw/zinc/71/53/31/781715331.db2.gz KQELXDUTVFEAOE-LLVKDONJSA-N 0 3 282.344 -1.599 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1)C(N)=O ZINC001182195287 781715466 /nfs/dbraw/zinc/71/54/66/781715466.db2.gz SUCBGQIYMOEJGS-GJMOJQLCSA-N 0 3 271.321 -1.893 20 0 CAADHN Cc1nccn1CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001151115313 781715734 /nfs/dbraw/zinc/71/57/34/781715734.db2.gz UMBHAIQSQLAVFE-SNVBAGLBSA-N 0 3 293.327 -1.297 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182257875 781715865 /nfs/dbraw/zinc/71/58/65/781715865.db2.gz BUSMUEQEQXSZAA-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182266376 781715980 /nfs/dbraw/zinc/71/59/80/781715980.db2.gz CKQFAOMBNISPTH-RQJHMYQMSA-N 0 3 299.287 -2.520 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1)NC1CC1 ZINC001182268769 781716441 /nfs/dbraw/zinc/71/64/41/781716441.db2.gz XJVLDCYHCVDVGR-NXEZZACHSA-N 0 3 296.327 -1.436 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182266373 781716578 /nfs/dbraw/zinc/71/65/78/781716578.db2.gz CKQFAOMBNISPTH-RNFRBKRXSA-N 0 3 299.287 -2.520 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182302959 781716583 /nfs/dbraw/zinc/71/65/83/781716583.db2.gz NVIWQUQOSXTIKI-MRVPVSSYSA-N 0 3 266.305 -1.635 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182259725 781716596 /nfs/dbraw/zinc/71/65/96/781716596.db2.gz VGQZYOFQXIMPQF-HTQZYQBOSA-N 0 3 270.289 -1.969 20 0 CAADHN CC(C)(O)CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001182229471 781716679 /nfs/dbraw/zinc/71/66/79/781716679.db2.gz OSIFJAACVCMIJO-MRVPVSSYSA-N 0 3 286.332 -1.467 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182267584 781716789 /nfs/dbraw/zinc/71/67/89/781716789.db2.gz MPYHLUNJOJNXKZ-BDAKNGLRSA-N 0 3 284.316 -1.579 20 0 CAADHN Cc1nccn1CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001151115309 781716794 /nfs/dbraw/zinc/71/67/94/781716794.db2.gz UMBHAIQSQLAVFE-JTQLQIEISA-N 0 3 293.327 -1.297 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)n1 ZINC001182303012 781716806 /nfs/dbraw/zinc/71/68/06/781716806.db2.gz PXCNNXRAPXRARA-SNVBAGLBSA-N 0 3 292.343 -1.102 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001182195397 781716852 /nfs/dbraw/zinc/71/68/52/781716852.db2.gz VPPAQEBPGHCDSW-AEJSXWLSSA-N 0 3 297.359 -1.536 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182329792 781717504 /nfs/dbraw/zinc/71/75/04/781717504.db2.gz QLKGFKXCAGPOIO-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)nn1 ZINC001182302806 781717589 /nfs/dbraw/zinc/71/75/89/781717589.db2.gz JYMSTMNSXRDRCD-SNVBAGLBSA-N 0 3 292.343 -1.102 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001182343480 781717787 /nfs/dbraw/zinc/71/77/87/781717787.db2.gz LAMLYMQLMFJAJK-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@@H](NCC(=O)NC)C2)n1 ZINC001182310971 781717812 /nfs/dbraw/zinc/71/78/12/781717812.db2.gz GSAHVWIFOHIVMC-SECBINFHSA-N 0 3 280.332 -1.152 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182302568 781717991 /nfs/dbraw/zinc/71/79/91/781717991.db2.gz HSEIMFVXHKUACB-SECBINFHSA-N 0 3 280.332 -1.293 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001182344326 781718062 /nfs/dbraw/zinc/71/80/62/781718062.db2.gz PVEVTDVDLWTLSS-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001182343191 781718214 /nfs/dbraw/zinc/71/82/14/781718214.db2.gz HSMCVRZFZUDPJG-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001182380287 781718236 /nfs/dbraw/zinc/71/82/36/781718236.db2.gz XFCGYNLEOGOBEY-BBBLOLIVSA-N 0 3 255.318 -1.103 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182329793 781718322 /nfs/dbraw/zinc/71/83/22/781718322.db2.gz QLKGFKXCAGPOIO-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001182343479 781718495 /nfs/dbraw/zinc/71/84/95/781718495.db2.gz LAMLYMQLMFJAJK-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1C(N)=O ZINC001182380289 781718508 /nfs/dbraw/zinc/71/85/08/781718508.db2.gz XFCGYNLEOGOBEY-OPRDCNLKSA-N 0 3 255.318 -1.103 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)nn1 ZINC001182302213 781718552 /nfs/dbraw/zinc/71/85/52/781718552.db2.gz BEXXFWSKGRABFQ-SSDOTTSWSA-N 0 3 295.303 -2.186 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC001182380288 781718574 /nfs/dbraw/zinc/71/85/74/781718574.db2.gz XFCGYNLEOGOBEY-KXUCPTDWSA-N 0 3 255.318 -1.103 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001182352669 781719322 /nfs/dbraw/zinc/71/93/22/781719322.db2.gz VSSQVWVGPDAVSK-MRVPVSSYSA-N 0 3 251.290 -1.040 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2ncc[nH]2)C1)C(=O)NC(N)=O ZINC001182373476 781720846 /nfs/dbraw/zinc/72/08/46/781720846.db2.gz XBHWZCVAVRVRET-HTQZYQBOSA-N 0 3 294.315 -1.203 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 ZINC001182392572 781721607 /nfs/dbraw/zinc/72/16/07/781721607.db2.gz RJXXGUFLSKKXCC-DTWKUNHWSA-N 0 3 255.318 -1.319 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182450293 781723361 /nfs/dbraw/zinc/72/33/61/781723361.db2.gz QYXYOMRFMYJABC-SNVBAGLBSA-N 0 3 294.359 -1.018 20 0 CAADHN CCc1ncncc1C(=O)NCCNCC(=O)NC(N)=O ZINC001151250965 781724682 /nfs/dbraw/zinc/72/46/82/781724682.db2.gz NOTVDWUCPYFKSB-UHFFFAOYSA-N 0 3 294.315 -1.447 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001182513632 781725073 /nfs/dbraw/zinc/72/50/73/781725073.db2.gz GCWDBLAEJSUORV-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)Cn2ncnn2)C1)C(=O)N(C)C ZINC001182608051 781726097 /nfs/dbraw/zinc/72/60/97/781726097.db2.gz YJVZYGFISAHVEP-NXEZZACHSA-N 0 3 295.347 -1.660 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C2CCCC2)C1 ZINC001182782821 781727119 /nfs/dbraw/zinc/72/71/19/781727119.db2.gz VFATVOJWJRZZNU-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)c2ccoc2)C1 ZINC001182781848 781727339 /nfs/dbraw/zinc/72/73/39/781727339.db2.gz NZKXHUNFIJTQLS-SNVBAGLBSA-N 0 3 294.311 -1.315 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001182802703 781727619 /nfs/dbraw/zinc/72/76/19/781727619.db2.gz MUUSWWFIHSNWRH-DTWKUNHWSA-N 0 3 286.332 -2.187 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182878939 781730501 /nfs/dbraw/zinc/73/05/01/781730501.db2.gz CICGKOGZXKMVEZ-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182879116 781730565 /nfs/dbraw/zinc/73/05/65/781730565.db2.gz GBQAUFAYZNAHHT-MRVPVSSYSA-N 0 3 295.303 -2.337 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182879878 781730772 /nfs/dbraw/zinc/73/07/72/781730772.db2.gz YEIXCFNDRBTGKX-VHSXEESVSA-N 0 3 280.332 -1.397 20 0 CAADHN CN(CC(=O)NC1(CO)CCN(C)CC1)S(C)(=O)=O ZINC001182881679 781730816 /nfs/dbraw/zinc/73/08/16/781730816.db2.gz IDALRASOTPOVEX-UHFFFAOYSA-N 0 3 293.389 -1.549 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182879875 781730836 /nfs/dbraw/zinc/73/08/36/781730836.db2.gz YEIXCFNDRBTGKX-NXEZZACHSA-N 0 3 280.332 -1.397 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1)C(=O)NC(N)=O ZINC001182953750 781731353 /nfs/dbraw/zinc/73/13/53/781731353.db2.gz JOXDBWKYLSGLKZ-KXUCPTDWSA-N 0 3 298.343 -1.203 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1)C(=O)NC(N)=O ZINC001182953751 781731649 /nfs/dbraw/zinc/73/16/49/781731649.db2.gz JOXDBWKYLSGLKZ-LPEHRKFASA-N 0 3 298.343 -1.203 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300406 781731831 /nfs/dbraw/zinc/73/18/31/781731831.db2.gz LGQCQCVNRMRSBS-YUMQZZPRSA-N 0 3 290.345 -2.728 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300404 781731875 /nfs/dbraw/zinc/73/18/75/781731875.db2.gz LGQCQCVNRMRSBS-JGVFFNPUSA-N 0 3 290.345 -2.728 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300680 781732049 /nfs/dbraw/zinc/73/20/49/781732049.db2.gz NUKKNUQXTVNKTC-ZETCQYMHSA-N 0 3 278.334 -2.870 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300403 781732150 /nfs/dbraw/zinc/73/21/50/781732150.db2.gz LGQCQCVNRMRSBS-HTQZYQBOSA-N 0 3 290.345 -2.728 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001183026995 781733723 /nfs/dbraw/zinc/73/37/23/781733723.db2.gz GIZXSAZFSVNQEB-SECBINFHSA-N 0 3 255.318 -1.305 20 0 CAADHN CCN1C[C@H](C(=O)N2CC[C@@H](NCC(=O)NC)C2)CC1=O ZINC001182982118 781734223 /nfs/dbraw/zinc/73/42/23/781734223.db2.gz MVAPCGTYEGNAPZ-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1)C(N)=O ZINC001183007372 781734594 /nfs/dbraw/zinc/73/45/94/781734594.db2.gz IGRBTDWQWFXNRK-GXSJLCMTSA-N 0 3 296.371 -1.081 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001183055129 781738545 /nfs/dbraw/zinc/73/85/45/781738545.db2.gz QCQRCNVIINSCOS-SSDOTTSWSA-N 0 3 257.294 -2.409 20 0 CAADHN Cc1cc(CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)n(C)n1 ZINC001183104614 781738337 /nfs/dbraw/zinc/73/83/37/781738337.db2.gz VPBMMIBCLKOLBE-NXEZZACHSA-N 0 3 265.317 -1.253 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001183060400 781738463 /nfs/dbraw/zinc/73/84/63/781738463.db2.gz ZTELIRILGRWVME-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001183055103 781738762 /nfs/dbraw/zinc/73/87/62/781738762.db2.gz OXVNTIPOFPYOIL-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001183060178 781738776 /nfs/dbraw/zinc/73/87/76/781738776.db2.gz UZBXKCFITSZKNJ-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001183055099 781738845 /nfs/dbraw/zinc/73/88/45/781738845.db2.gz OWMGNCXGCNAQNL-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001183055051 781738993 /nfs/dbraw/zinc/73/89/93/781738993.db2.gz MARPKZHTHCWPAQ-MRVPVSSYSA-N 0 3 271.321 -2.148 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001183055112 781739048 /nfs/dbraw/zinc/73/90/48/781739048.db2.gz PIWADTPSODOHRX-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001183059888 781739069 /nfs/dbraw/zinc/73/90/69/781739069.db2.gz MZOPTNVFFFKRKQ-JGVFFNPUSA-N 0 3 271.321 -2.020 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CNC(=O)NC)C1)C(N)=O ZINC001183059875 781739075 /nfs/dbraw/zinc/73/90/75/781739075.db2.gz MNETXPSFXKJHLP-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001183060358 781739107 /nfs/dbraw/zinc/73/91/07/781739107.db2.gz YZZARMGGUCVJRR-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001183060397 781739160 /nfs/dbraw/zinc/73/91/60/781739160.db2.gz ZTELIRILGRWVME-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001183060124 781739205 /nfs/dbraw/zinc/73/92/05/781739205.db2.gz UIRRKLXEKBRBKS-SECBINFHSA-N 0 3 295.347 -1.267 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001183222074 781740112 /nfs/dbraw/zinc/74/01/12/781740112.db2.gz GPFUGEOUEGAGNE-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001183222482 781740241 /nfs/dbraw/zinc/74/02/41/781740241.db2.gz OIHABKDAXKPDAQ-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCS(=O)(=O)N1)C(N)=O ZINC001151306853 781740266 /nfs/dbraw/zinc/74/02/66/781740266.db2.gz UXSUHTUWMZQPJO-SFYZADRCSA-N 0 3 292.361 -2.352 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001183222705 781740281 /nfs/dbraw/zinc/74/02/81/781740281.db2.gz SLLMZZMIDZPDFU-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183422774 781742331 /nfs/dbraw/zinc/74/23/31/781742331.db2.gz ZIEYWRQNWUVNBY-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN CC(C)[C@H](C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21)N(C)C ZINC001183366633 781742685 /nfs/dbraw/zinc/74/26/85/781742685.db2.gz VERAQSWATRTVIT-ZNSHCXBVSA-N 0 3 270.381 -1.908 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001183465402 781742709 /nfs/dbraw/zinc/74/27/09/781742709.db2.gz IWIDDLQTXOVEIL-MRVPVSSYSA-N 0 3 281.316 -1.026 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183426817 781742984 /nfs/dbraw/zinc/74/29/84/781742984.db2.gz BCLDIRLSPDMBPL-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001183435883 781743003 /nfs/dbraw/zinc/74/30/03/781743003.db2.gz GKVSEHFWQUFGGE-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183482735 781743647 /nfs/dbraw/zinc/74/36/47/781743647.db2.gz UOYJCTLECMIMPW-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCN(C)C2=O)C1 ZINC001183495591 781743939 /nfs/dbraw/zinc/74/39/39/781743939.db2.gz APOOUOVGXZCGHE-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183495866 781744153 /nfs/dbraw/zinc/74/41/53/781744153.db2.gz HFWPZMQQQUBMDJ-GMTAPVOTSA-N 0 3 296.371 -1.020 20 0 CAADHN O=C(c1cnc[n-]c1=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183521808 781744164 /nfs/dbraw/zinc/74/41/64/781744164.db2.gz XCWISWVINXECCW-SNVBAGLBSA-N 0 3 296.327 -1.005 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001183590393 781746366 /nfs/dbraw/zinc/74/63/66/781746366.db2.gz CMUZPAZGDDDVHP-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1)C(N)=O ZINC001183675527 781747498 /nfs/dbraw/zinc/74/74/98/781747498.db2.gz AMDOPHJNXNPRMP-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001183684011 781748279 /nfs/dbraw/zinc/74/82/79/781748279.db2.gz NXBMXDDQQRCASM-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN N=c1ncc(C[NH3+])cn1C(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183663314 781748873 /nfs/dbraw/zinc/74/88/73/781748873.db2.gz AGXFSYFMPLVDGA-UHFFFAOYSA-N 0 3 294.246 -1.437 20 0 CAADHN CC(=O)N[C@H](C(=O)N1CCOC[C@@H]1CN(C)C)[C@@H](C)O ZINC001183698218 781749662 /nfs/dbraw/zinc/74/96/62/781749662.db2.gz FLULSUAEMNPWSX-USWWRNFRSA-N 0 3 287.360 -1.339 20 0 CAADHN CN1CCC[C@](C)(NC(=O)C[C@@H]2NC(=O)CNC2=O)C1 ZINC001183728282 781755977 /nfs/dbraw/zinc/75/59/77/781755977.db2.gz FEFULZYCBYWFMP-ZANVPECISA-N 0 3 282.344 -1.408 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183728333 781756027 /nfs/dbraw/zinc/75/60/27/781756027.db2.gz HREUKXHNQIWVDT-UWVGGRQHSA-N 0 3 298.343 -2.220 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)C[C@@H]1NC(=O)CNC1=O ZINC001183728334 781756172 /nfs/dbraw/zinc/75/61/72/781756172.db2.gz HREUKXHNQIWVDT-ZJUUUORDSA-N 0 3 298.343 -2.220 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN[C@H]1CCNC1=O ZINC001151379863 781760916 /nfs/dbraw/zinc/76/09/16/781760916.db2.gz VVPPILKHKBIGAT-ZETCQYMHSA-N 0 3 278.334 -2.870 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CN1CCCCC1=O ZINC001273483286 781758097 /nfs/dbraw/zinc/75/80/97/781758097.db2.gz GYEXCNMLJQPBTK-UHFFFAOYSA-N 0 3 284.360 -1.078 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001183930299 781759240 /nfs/dbraw/zinc/75/92/40/781759240.db2.gz GGQGJXIEWBPDER-SNVBAGLBSA-N 0 3 297.359 -1.662 20 0 CAADHN CS(=O)(=O)CCN[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001183913342 781759613 /nfs/dbraw/zinc/75/96/13/781759613.db2.gz UMPFKNIBJCPGRH-MRVPVSSYSA-N 0 3 287.345 -1.347 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001183902343 781759626 /nfs/dbraw/zinc/75/96/26/781759626.db2.gz IUWJAFTVFXVHEM-ZCFIWIBFSA-N 0 3 281.276 -2.196 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001183869111 781759728 /nfs/dbraw/zinc/75/97/28/781759728.db2.gz RKFQMTCFYJAELQ-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001183869110 781759736 /nfs/dbraw/zinc/75/97/36/781759736.db2.gz RKFQMTCFYJAELQ-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CC[C@@H](C)C(=O)NCC(=O)NCCNCC(N)=O ZINC001151366638 781759744 /nfs/dbraw/zinc/75/97/44/781759744.db2.gz PKQUBQLOXGYVEW-MRVPVSSYSA-N 0 3 258.322 -1.660 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001183912627 781759749 /nfs/dbraw/zinc/75/97/49/781759749.db2.gz NSNPXLOBHXYIEG-LLVKDONJSA-N 0 3 292.339 -1.065 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCNCC(=O)N(C)C ZINC001151373511 781759818 /nfs/dbraw/zinc/75/98/18/781759818.db2.gz QMUVMLWDXVUSQW-UHFFFAOYSA-N 0 3 280.350 -2.670 20 0 CAADHN CCNC(=O)CNCCNC(=O)CS(=O)(=O)NC ZINC001151379685 781760613 /nfs/dbraw/zinc/76/06/13/781760613.db2.gz OFFLEVCPIQCCGY-UHFFFAOYSA-N 0 3 280.350 -2.623 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CS(=O)(=O)NC ZINC001151379722 781761608 /nfs/dbraw/zinc/76/16/08/781761608.db2.gz PVOVUQLVPKDWGJ-ZETCQYMHSA-N 0 3 280.350 -2.624 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)C1(CO)COC1 ZINC001184044847 781761988 /nfs/dbraw/zinc/76/19/88/781761988.db2.gz ZXPZAZIHSYFNGQ-SNVBAGLBSA-N 0 3 258.318 -1.216 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001184101199 781764085 /nfs/dbraw/zinc/76/40/85/781764085.db2.gz YLENAJZFXAPAAG-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cc(OC)n(C)n2)C1 ZINC001184117066 781764260 /nfs/dbraw/zinc/76/42/60/781764260.db2.gz JLEGWLURIABFTF-SECBINFHSA-N 0 3 295.343 -1.021 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001151390764 781764798 /nfs/dbraw/zinc/76/47/98/781764798.db2.gz PQZPDPQCZVDQRX-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN CCCS(=O)(=O)CC(=O)NCCN[C@@H](CC)C(N)=O ZINC001151405178 781765002 /nfs/dbraw/zinc/76/50/02/781765002.db2.gz OMKNUCOPGGRLCI-VIFPVBQESA-N 0 3 293.389 -1.219 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)COCC(F)F)C1 ZINC001184543641 781768769 /nfs/dbraw/zinc/76/87/69/781768769.db2.gz SLIQJPCBUUYBJJ-SSDOTTSWSA-N 0 3 265.260 -1.056 20 0 CAADHN CC[C@H](NCCNC(=O)CS(=O)(=O)C(C)C)C(N)=O ZINC001151405441 781766137 /nfs/dbraw/zinc/76/61/37/781766137.db2.gz XFDGWGBGFHXGNK-VIFPVBQESA-N 0 3 293.389 -1.221 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001184499804 781767975 /nfs/dbraw/zinc/76/79/75/781767975.db2.gz JDSFMSKTSIQFPX-RNCFNFMXSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001184499803 781768085 /nfs/dbraw/zinc/76/80/85/781768085.db2.gz JDSFMSKTSIQFPX-NOZJJQNGSA-N 0 3 282.344 -1.551 20 0 CAADHN CCn1cc(CC(=O)N2CC[C@@H](NCC(=O)NC)C2)nn1 ZINC001184483208 781768661 /nfs/dbraw/zinc/76/86/61/781768661.db2.gz CLYNNIQKEYDKJI-SNVBAGLBSA-N 0 3 294.359 -1.223 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001184500235 781768814 /nfs/dbraw/zinc/76/88/14/781768814.db2.gz SJMAERSCMVMWBC-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H]1CN(C(=O)c2cn[n-]n2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184726551 781769568 /nfs/dbraw/zinc/76/95/68/781769568.db2.gz YURPQJIQZBENLG-DTWKUNHWSA-N 0 3 280.332 -1.022 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001184726558 781770002 /nfs/dbraw/zinc/77/00/02/781770002.db2.gz YURPQJIQZBENLG-RKDXNWHRSA-N 0 3 280.332 -1.022 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cnco2)C1 ZINC001184685185 781770684 /nfs/dbraw/zinc/77/06/84/781770684.db2.gz FJQAOXLWJBQNEO-SSDOTTSWSA-N 0 3 281.272 -1.326 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001184868494 781770966 /nfs/dbraw/zinc/77/09/66/781770966.db2.gz VFTYMOWGOQQMBW-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184858285 781771070 /nfs/dbraw/zinc/77/10/70/781771070.db2.gz KKKOQPFNBJHVKE-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCCn1cccn1 ZINC001151423451 781771274 /nfs/dbraw/zinc/77/12/74/781771274.db2.gz KQUHANJKDGHVAE-UHFFFAOYSA-N 0 3 296.331 -1.436 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184868414 781771837 /nfs/dbraw/zinc/77/18/37/781771837.db2.gz RRAIBDVAUJRJLV-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)n1 ZINC001184923679 781771994 /nfs/dbraw/zinc/77/19/94/781771994.db2.gz BOSQYCJGJAJVIC-ZCFIWIBFSA-N 0 3 296.291 -2.791 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001184834562 781772013 /nfs/dbraw/zinc/77/20/13/781772013.db2.gz YVVZANWQWSRZTJ-MRVPVSSYSA-N 0 3 281.316 -1.324 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1)C(=O)N(C)C ZINC001184923633 781772098 /nfs/dbraw/zinc/77/20/98/781772098.db2.gz AQBKUEFVQUTWOS-DTWKUNHWSA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001184867793 781772171 /nfs/dbraw/zinc/77/21/71/781772171.db2.gz KQTDXVCTHIXYJH-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001184868408 781772221 /nfs/dbraw/zinc/77/22/21/781772221.db2.gz RRAIBDVAUJRJLV-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001185029584 781772809 /nfs/dbraw/zinc/77/28/09/781772809.db2.gz PXLPJHDTZRPTKK-ZJUUUORDSA-N 0 3 282.344 -1.599 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001185028594 781773209 /nfs/dbraw/zinc/77/32/09/781773209.db2.gz ISNIJNSGVJHGNK-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001185007607 781773449 /nfs/dbraw/zinc/77/34/49/781773449.db2.gz VKVABDXPQBPEDT-REIXXSIJSA-N 0 3 296.327 -1.736 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001185028595 781773537 /nfs/dbraw/zinc/77/35/37/781773537.db2.gz ISNIJNSGVJHGNK-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185207490 781774245 /nfs/dbraw/zinc/77/42/45/781774245.db2.gz HCXCRWXCRMIHMM-SECBINFHSA-N 0 3 293.327 -1.290 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185109428 781774256 /nfs/dbraw/zinc/77/42/56/781774256.db2.gz HXJDHDMDRXVLHJ-HBNTYKKESA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185209646 781774263 /nfs/dbraw/zinc/77/42/63/781774263.db2.gz ZRKJDZCVGNKSKR-RKDXNWHRSA-N 0 3 293.327 -1.292 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)COc2cnn(C)c2)C1 ZINC001185183276 781774422 /nfs/dbraw/zinc/77/44/22/781774422.db2.gz LDXBSIQXSKNSRA-SNVBAGLBSA-N 0 3 295.343 -1.265 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185109070 781774555 /nfs/dbraw/zinc/77/45/55/781774555.db2.gz AKVSQDMCYFPVGY-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001185109870 781775110 /nfs/dbraw/zinc/77/51/10/781775110.db2.gz LGRRAZMUTVYYHM-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185257562 781775808 /nfs/dbraw/zinc/77/58/08/781775808.db2.gz UGNLTOUZWXDINH-RKDXNWHRSA-N 0 3 283.332 -2.054 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185256476 781775817 /nfs/dbraw/zinc/77/58/17/781775817.db2.gz HPMOWYADYHBEMN-HTQZYQBOSA-N 0 3 269.305 -2.396 20 0 CAADHN CN1CCN(C)[C@@H](C(=O)Nc2cn[nH]c2C(N)=O)C1 ZINC001185245400 781775871 /nfs/dbraw/zinc/77/58/71/781775871.db2.gz VECHIOYDYVTWRR-MRVPVSSYSA-N 0 3 266.305 -1.307 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185257558 781776016 /nfs/dbraw/zinc/77/60/16/781776016.db2.gz UGNLTOUZWXDINH-BDAKNGLRSA-N 0 3 283.332 -2.054 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185257086 781776334 /nfs/dbraw/zinc/77/63/34/781776334.db2.gz OJGXUISKGIKVFQ-NXEZZACHSA-N 0 3 297.359 -1.617 20 0 CAADHN CN1CCN(C)[C@H](C(=O)N[C@@H](CO)Cc2c[nH]cn2)C1 ZINC001185262371 781778774 /nfs/dbraw/zinc/77/87/74/781778774.db2.gz NELCJACRWLAIFB-NEPJUHHUSA-N 0 3 281.360 -1.325 20 0 CAADHN CN1CCN(C)[C@H](C(=O)N[C@@H](CO)Cc2cnc[nH]2)C1 ZINC001185262371 781778783 /nfs/dbraw/zinc/77/87/83/781778783.db2.gz NELCJACRWLAIFB-NEPJUHHUSA-N 0 3 281.360 -1.325 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2CN(C)CCN2C)CC1 ZINC001185268574 781781907 /nfs/dbraw/zinc/78/19/07/781781907.db2.gz DIBYXVWVAPEUGQ-LBPRGKRZSA-N 0 3 284.404 -1.195 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289589 781783042 /nfs/dbraw/zinc/78/30/42/781783042.db2.gz QCXODWZMQYINLY-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN CCCC[C@H](N[C@@H]1CCN(C(=O)C(N)=O)C1)C(N)=O ZINC001185313534 781783408 /nfs/dbraw/zinc/78/34/08/781783408.db2.gz OBMZONSJVUFPHG-BDAKNGLRSA-N 0 3 270.333 -1.294 20 0 CAADHN CCCC[C@@H](N[C@@H]1CCN(C(=O)C(N)=O)C1)C(N)=O ZINC001185313535 781783613 /nfs/dbraw/zinc/78/36/13/781783613.db2.gz OBMZONSJVUFPHG-RKDXNWHRSA-N 0 3 270.333 -1.294 20 0 CAADHN Cn1[n-]c(CN[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nc1=O ZINC001185408752 781786077 /nfs/dbraw/zinc/78/60/77/781786077.db2.gz YGVNZGBRNLBZRY-SNVBAGLBSA-N 0 3 296.375 -1.249 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001185633580 781786692 /nfs/dbraw/zinc/78/66/92/781786692.db2.gz QNWWXBFMWVLSMT-YGRLFVJLSA-N 0 3 296.371 -1.209 20 0 CAADHN COC[C@@H](OC)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001185551191 781786747 /nfs/dbraw/zinc/78/67/47/781786747.db2.gz STGRPVBHCHDHPR-RKDXNWHRSA-N 0 3 259.306 -1.676 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](COC)OC)C1 ZINC001185539846 781787060 /nfs/dbraw/zinc/78/70/60/781787060.db2.gz QPCZJLVRTRJARK-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C(N)=O)co2)C1 ZINC001185600286 781787285 /nfs/dbraw/zinc/78/72/85/781787285.db2.gz OJRZRHFRWKQUTI-SECBINFHSA-N 0 3 294.311 -1.071 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001185633907 781787347 /nfs/dbraw/zinc/78/73/47/781787347.db2.gz RKGIPECOWOMCIV-RNCFNFMXSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001185600080 781787472 /nfs/dbraw/zinc/78/74/72/781787472.db2.gz KOJZZYZJJSZYJI-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001185632672 781787609 /nfs/dbraw/zinc/78/76/09/781787609.db2.gz DCCFIQSUNDBNHH-KXUCPTDWSA-N 0 3 298.343 -2.044 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185689653 781788299 /nfs/dbraw/zinc/78/82/99/781788299.db2.gz IIGJBTOVBOXNSB-BBBLOLIVSA-N 0 3 282.344 -1.566 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185684864 781788360 /nfs/dbraw/zinc/78/83/60/781788360.db2.gz TUBZIPIPFXWCHP-MXWKQRLJSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001185690377 781788381 /nfs/dbraw/zinc/78/83/81/781788381.db2.gz SJEPSGMTCVXNHG-MRVPVSSYSA-N 0 3 293.327 -1.336 20 0 CAADHN C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001185731658 781788406 /nfs/dbraw/zinc/78/84/06/781788406.db2.gz YMNMUCBQMUQBME-KKZNHRDASA-N 0 3 298.343 -1.203 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1nccs1 ZINC001151489931 781788498 /nfs/dbraw/zinc/78/84/98/781788498.db2.gz LNDPNXIAAVNZFL-UHFFFAOYSA-N 0 3 299.356 -1.024 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185684507 781788583 /nfs/dbraw/zinc/78/85/83/781788583.db2.gz QJRJYKHPUMKXMX-HLTSFMKQSA-N 0 3 268.317 -1.956 20 0 CAADHN COCC[C@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001151499014 781788786 /nfs/dbraw/zinc/78/87/86/781788786.db2.gz YGAVTWSFEMVIDA-QMMMGPOBSA-N 0 3 274.321 -1.440 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](C)CCOC ZINC001151498988 781788938 /nfs/dbraw/zinc/78/89/38/781788938.db2.gz YDBWPNQJPWSNGA-SECBINFHSA-N 0 3 288.348 -1.180 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001185690484 781789002 /nfs/dbraw/zinc/78/90/02/781789002.db2.gz UWPQEOREQKSVOH-MXWKQRLJSA-N 0 3 294.355 -1.423 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001185806098 781789454 /nfs/dbraw/zinc/78/94/54/781789454.db2.gz HRERURMQHJOJDN-GHMZBOCLSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001185805777 781790597 /nfs/dbraw/zinc/79/05/97/781790597.db2.gz BCOVINYLBKWAPP-ZJUUUORDSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001185919000 781791341 /nfs/dbraw/zinc/79/13/41/781791341.db2.gz RBXQWRJYNGFQJJ-SECBINFHSA-N 0 3 265.317 -1.111 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001185912531 781791743 /nfs/dbraw/zinc/79/17/43/781791743.db2.gz GMUJIVJOASTWNH-JGVFFNPUSA-N 0 3 292.361 -2.400 20 0 CAADHN CC[C@H](C(=O)NCCN[C@H]1CCNC1=O)N1CCCC1=O ZINC001151529363 781792005 /nfs/dbraw/zinc/79/20/05/781792005.db2.gz GKHGMQIZKYWWPT-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@H](C(=O)NCCNCC(=O)NC)N1CCCC1=O ZINC001151534322 781793167 /nfs/dbraw/zinc/79/31/67/781793167.db2.gz DVQCLYATEZELKT-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CC[C@@H](C(=O)NCCNCC(=O)NC)N1CCCC1=O ZINC001151534321 781793245 /nfs/dbraw/zinc/79/32/45/781793245.db2.gz DVQCLYATEZELKT-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)COC[C@@H]2CCOC2)C1 ZINC001186042424 781794477 /nfs/dbraw/zinc/79/44/77/781794477.db2.gz YNEHIISVOBFFQO-GHMZBOCLSA-N 0 3 285.344 -1.285 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)OCCOC)C1 ZINC001186058529 781797948 /nfs/dbraw/zinc/79/79/48/781797948.db2.gz ALOKDQLTRDJXIR-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CN1CCC(CO)(NC(=O)CN2CC[C@@H](O)C2)CC1 ZINC001186056069 781798525 /nfs/dbraw/zinc/79/85/25/781798525.db2.gz BQJPEZYQXHNQHV-LLVKDONJSA-N 0 3 271.361 -1.374 20 0 CAADHN CN(C)C(=O)CC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001186164343 781803064 /nfs/dbraw/zinc/80/30/64/781803064.db2.gz RZLFADKVTVQSCJ-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186312529 781803327 /nfs/dbraw/zinc/80/33/27/781803327.db2.gz SERMQDNXMYWJMS-MRVPVSSYSA-N 0 3 266.305 -1.635 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001186322411 781803369 /nfs/dbraw/zinc/80/33/69/781803369.db2.gz ZMDODFLEWWGPSM-ZJUUUORDSA-N 0 3 294.355 -1.408 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001186322046 781803450 /nfs/dbraw/zinc/80/34/50/781803450.db2.gz RVQUXFNWRFPBQY-SECBINFHSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001186356377 781803851 /nfs/dbraw/zinc/80/38/51/781803851.db2.gz UGKVQUZCIFQRBQ-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1)C(N)=O ZINC001186185230 781804045 /nfs/dbraw/zinc/80/40/45/781804045.db2.gz WMMYCKGBBMBSLT-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1)C(N)=O ZINC001186171178 781804104 /nfs/dbraw/zinc/80/41/04/781804104.db2.gz PDBRXHHBDNNZMC-DTWKUNHWSA-N 0 3 270.333 -1.471 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)n1 ZINC001186312565 781804257 /nfs/dbraw/zinc/80/42/57/781804257.db2.gz STVCGOXYSYOAJL-SSDOTTSWSA-N 0 3 295.303 -2.186 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001186260535 781804573 /nfs/dbraw/zinc/80/45/73/781804573.db2.gz YONSSZKINNPIJL-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186311852 781804735 /nfs/dbraw/zinc/80/47/35/781804735.db2.gz DLBJOGHECQUQLW-SECBINFHSA-N 0 3 280.332 -1.293 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)n1 ZINC001186312178 781805179 /nfs/dbraw/zinc/80/51/79/781805179.db2.gz IJGSFHUVFHPKLV-SNVBAGLBSA-N 0 3 292.343 -1.102 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1)C(N)=O ZINC001186339204 781805204 /nfs/dbraw/zinc/80/52/04/781805204.db2.gz PTDIDUFVLMNXIZ-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN CN(C)C(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001186184075 781805307 /nfs/dbraw/zinc/80/53/07/781805307.db2.gz CXFFJSIEFYEHDG-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@@H]([NH2+][C@@H]1CCN(C(=O)c2nc[n-]n2)C1)C(=O)NC(N)=O ZINC001186453132 781805510 /nfs/dbraw/zinc/80/55/10/781805510.db2.gz YGSDNWRZRNCQII-RNFRBKRXSA-N 0 3 295.303 -1.808 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001186473115 781805580 /nfs/dbraw/zinc/80/55/80/781805580.db2.gz OERAQYXFCWZIQN-ZCFIWIBFSA-N 0 3 282.260 -1.931 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001186396664 781805684 /nfs/dbraw/zinc/80/56/84/781805684.db2.gz ZIZQWHUNNYKSDL-MRVPVSSYSA-N 0 3 297.315 -2.525 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001186395867 781805879 /nfs/dbraw/zinc/80/58/79/781805879.db2.gz KYHHWXHIRSVLCS-PSASIEDQSA-N 0 3 284.360 -1.035 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001186444732 781805952 /nfs/dbraw/zinc/80/59/52/781805952.db2.gz MGRUHZADKPKABA-HTQZYQBOSA-N 0 3 266.305 -1.257 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)c2nc[nH]n2)C1)NC1CC1 ZINC001186445323 781805968 /nfs/dbraw/zinc/80/59/68/781805968.db2.gz UIZSNHBLHVWBQS-SECBINFHSA-N 0 3 278.316 -1.113 20 0 CAADHN CS(=O)(=O)CCN[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186445298 781805995 /nfs/dbraw/zinc/80/59/95/781805995.db2.gz UFTQTXJUMPTOCS-MRVPVSSYSA-N 0 3 287.345 -1.347 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186444209 781806112 /nfs/dbraw/zinc/80/61/12/781806112.db2.gz FGVCOOKWOKWHRB-SSDOTTSWSA-N 0 3 252.278 -1.645 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 ZINC001186384299 781806307 /nfs/dbraw/zinc/80/63/07/781806307.db2.gz KBBGMMSWATWTND-SNVBAGLBSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001186472717 781806444 /nfs/dbraw/zinc/80/64/44/781806444.db2.gz MFTQIAYORICPDV-SSDOTTSWSA-N 0 3 253.262 -1.380 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001186472592 781806460 /nfs/dbraw/zinc/80/64/60/781806460.db2.gz KGXOHVMTFYUGLZ-MRVPVSSYSA-N 0 3 267.289 -1.038 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001186339423 781806478 /nfs/dbraw/zinc/80/64/78/781806478.db2.gz WCFMFVHRYCYJDJ-VHSXEESVSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cnon2)C1)C(=O)NC(N)=O ZINC001186486603 781806608 /nfs/dbraw/zinc/80/66/08/781806608.db2.gz CAUDYTABZQJVQV-NKWVEPMBSA-N 0 3 296.287 -1.543 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CCOC1 ZINC001186583443 781807053 /nfs/dbraw/zinc/80/70/53/781807053.db2.gz GZJJTOLYKCEBJB-NOZJJQNGSA-N 0 3 298.343 -1.202 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186562810 781807331 /nfs/dbraw/zinc/80/73/31/781807331.db2.gz PWWXXJRZIBGENF-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001186576092 781807845 /nfs/dbraw/zinc/80/78/45/781807845.db2.gz LLULYGUROFZEFR-MRVPVSSYSA-N 0 3 294.315 -1.662 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001186555294 781808208 /nfs/dbraw/zinc/80/82/08/781808208.db2.gz NVTJIJOTISXEQJ-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN COCCN1C[C@@H]2CCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001186756950 781812097 /nfs/dbraw/zinc/81/20/97/781812097.db2.gz XYAPHEXGNNSWPI-VHSXEESVSA-N 0 3 270.333 -1.166 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)C2(C(=O)N(C)C)CC2)C1)C(N)=O ZINC001186994379 781814349 /nfs/dbraw/zinc/81/43/49/781814349.db2.gz JHDJMXOUNJAIGX-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187100402 781814792 /nfs/dbraw/zinc/81/47/92/781814792.db2.gz ZTCXOZIUSRZABX-PSASIEDQSA-N 0 3 299.375 -1.255 20 0 CAADHN CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187100403 781815115 /nfs/dbraw/zinc/81/51/15/781815115.db2.gz ZTCXOZIUSRZABX-SCZZXKLOSA-N 0 3 299.375 -1.255 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221487 781815603 /nfs/dbraw/zinc/81/56/03/781815603.db2.gz ZCFOPLBYTIYGDC-SFYZADRCSA-N 0 3 297.315 -2.350 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(=O)N(C)C ZINC001187220919 781815640 /nfs/dbraw/zinc/81/56/40/781815640.db2.gz PLLDNCNFCZLPGF-MXWKQRLJSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220052 781817043 /nfs/dbraw/zinc/81/70/43/781817043.db2.gz COTNQLFUZBOLBQ-BBBLOLIVSA-N 0 3 282.344 -1.410 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)CCC1 ZINC001187314546 781818878 /nfs/dbraw/zinc/81/88/78/781818878.db2.gz GSEMTMYBYSWQTJ-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCC1 ZINC001187298583 781819057 /nfs/dbraw/zinc/81/90/57/781819057.db2.gz JPMVOMGRSZCLKT-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)CCC1 ZINC001187314545 781819930 /nfs/dbraw/zinc/81/99/30/781819930.db2.gz GSEMTMYBYSWQTJ-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C2(C(=O)NC)CCC2)C1 ZINC001187298909 781820106 /nfs/dbraw/zinc/82/01/06/781820106.db2.gz QQDHNBQVOATRSL-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001187413064 781820503 /nfs/dbraw/zinc/82/05/03/781820503.db2.gz JKIBULSQHPULJO-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CN(C)C1(C)CN(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187518510 781822932 /nfs/dbraw/zinc/82/29/32/781822932.db2.gz XOPNELZLUXRVSS-VIFPVBQESA-N 0 3 282.344 -1.456 20 0 CAADHN COC(=O)N[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC001187585608 781824831 /nfs/dbraw/zinc/82/48/31/781824831.db2.gz BMBUFKKOORYLID-YFKPBYRVSA-N 0 3 253.266 -1.029 20 0 CAADHN CN1CCC[C@](C)(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187526441 781824967 /nfs/dbraw/zinc/82/49/67/781824967.db2.gz SSHDOWGQYNQNPR-HZMBPMFUSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)Cn2cncn2)C1)C(=O)N(C)C ZINC001187655763 781825581 /nfs/dbraw/zinc/82/55/81/781825581.db2.gz ILSGAUWXBZUSNX-GHMZBOCLSA-N 0 3 294.359 -1.055 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187656714 781825643 /nfs/dbraw/zinc/82/56/43/781825643.db2.gz WYRFXGMUYXZEQS-VHSXEESVSA-N 0 3 280.332 -1.397 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001187691901 781826602 /nfs/dbraw/zinc/82/66/02/781826602.db2.gz IVRJDFKXBFUCJL-SECBINFHSA-N 0 3 296.327 -1.928 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001187667724 781828324 /nfs/dbraw/zinc/82/83/24/781828324.db2.gz SNIAIWFBWFANFR-HBNTYKKESA-N 0 3 294.355 -1.456 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)Cn2cncn2)C1)NC1CC1 ZINC001187664615 781828455 /nfs/dbraw/zinc/82/84/55/781828455.db2.gz VGOGSZVDEONYNK-LLVKDONJSA-N 0 3 292.343 -1.253 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)CCNC(N)=O)C2)n[nH]1 ZINC001187704703 781829150 /nfs/dbraw/zinc/82/91/50/781829150.db2.gz VSYAZJKZXLDFPO-SECBINFHSA-N 0 3 295.347 -1.138 20 0 CAADHN N[C@@H]1NCN(C(=O)c2[nH]ncc2Cl)[C@@H]2NCN[C@@H]21 ZINC001187852581 781829981 /nfs/dbraw/zinc/82/99/81/781829981.db2.gz ZLKYRIOBQVCSMC-PRJMDXOYSA-N 0 3 271.712 -1.804 20 0 CAADHN N[C@@H]1NCN(C(=O)c2[nH]ncc2Cl)[C@@H]2NCN[C@H]21 ZINC001187852582 781830055 /nfs/dbraw/zinc/83/00/55/781830055.db2.gz ZLKYRIOBQVCSMC-RNJXMRFFSA-N 0 3 271.712 -1.804 20 0 CAADHN Cn1ccc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)n1 ZINC001187825660 781830211 /nfs/dbraw/zinc/83/02/11/781830211.db2.gz PVKGJWJYOFBDIY-MRVPVSSYSA-N 0 3 294.315 -1.581 20 0 CAADHN CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187781060 781830278 /nfs/dbraw/zinc/83/02/78/781830278.db2.gz YKAPAWMOODNEGS-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN N[C@@H]1NCN(C(=O)c2[nH]ncc2Cl)[C@H]2NCN[C@H]21 ZINC001187852583 781830323 /nfs/dbraw/zinc/83/03/23/781830323.db2.gz ZLKYRIOBQVCSMC-XLPZGREQSA-N 0 3 271.712 -1.804 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001187825731 781830564 /nfs/dbraw/zinc/83/05/64/781830564.db2.gz SPEPIHKRJCCLQD-SECBINFHSA-N 0 3 265.317 -1.030 20 0 CAADHN C[C@H](CC(=O)N1CC[C@H]2CN(CCO)C[C@H]21)NC(N)=O ZINC001187911371 781833114 /nfs/dbraw/zinc/83/31/14/781833114.db2.gz GKASZHGBFOJLER-OUAUKWLOSA-N 0 3 284.360 -1.042 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001187915995 781833410 /nfs/dbraw/zinc/83/34/10/781833410.db2.gz WUZSDVQSDSAOOY-JGVFFNPUSA-N 0 3 292.361 -2.400 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1)C(=O)NC(N)=O ZINC001188151009 781835075 /nfs/dbraw/zinc/83/50/75/781835075.db2.gz QYPHEHPWBCWKRJ-OPRDCNLKSA-N 0 3 298.343 -1.061 20 0 CAADHN CCN(CCNCC(=O)NC1CC1)C(=O)c1nnn(C)n1 ZINC001273554628 781835763 /nfs/dbraw/zinc/83/57/63/781835763.db2.gz MZTMJVNAZUWABB-UHFFFAOYSA-N 0 3 295.347 -1.460 20 0 CAADHN COCCOCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001188325810 781835901 /nfs/dbraw/zinc/83/59/01/781835901.db2.gz OCOSHLPACHURDC-SNVBAGLBSA-N 0 3 273.333 -1.285 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001188369364 781837147 /nfs/dbraw/zinc/83/71/47/781837147.db2.gz WWMYNFFKXUSIBI-SECBINFHSA-N 0 3 294.315 -1.732 20 0 CAADHN NC(=O)CCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001188390197 781837841 /nfs/dbraw/zinc/83/78/41/781837841.db2.gz CUHFCWHJRYBLIR-MRVPVSSYSA-N 0 3 256.306 -1.682 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001188390397 781837284 /nfs/dbraw/zinc/83/72/84/781837284.db2.gz HVZRGIDISIBZJA-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCCC[C@H](NC(N)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001188369148 781837325 /nfs/dbraw/zinc/83/73/25/781837325.db2.gz UHUJNMDHEGIEKN-ZJUUUORDSA-N 0 3 299.375 -1.111 20 0 CAADHN COC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001188428420 781839113 /nfs/dbraw/zinc/83/91/13/781839113.db2.gz VAXQRJDZEKABRZ-HOSYDEDBSA-N 0 3 295.343 -1.042 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCN(C)C1=O ZINC001273562151 781840719 /nfs/dbraw/zinc/84/07/19/781840719.db2.gz LGPHKMGNQZSNHO-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CCN(C)C1=O ZINC001273562129 781840808 /nfs/dbraw/zinc/84/08/08/781840808.db2.gz KTBOCMWGTWIVAA-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)C[C@@H](C(N)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001188466791 781840834 /nfs/dbraw/zinc/84/08/34/781840834.db2.gz HSIWCNSVIAIDFV-ZJUUUORDSA-N 0 3 284.360 -1.190 20 0 CAADHN CC(C)C[C@H](C(N)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001188466790 781840988 /nfs/dbraw/zinc/84/09/88/781840988.db2.gz HSIWCNSVIAIDFV-NXEZZACHSA-N 0 3 284.360 -1.190 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811256 781845988 /nfs/dbraw/zinc/84/59/88/781845988.db2.gz AMXXLOOHZZPHCO-SNVBAGLBSA-N 0 3 288.348 -1.804 20 0 CAADHN CN(CCn1cncn1)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811828 781848033 /nfs/dbraw/zinc/84/80/33/781848033.db2.gz GZMBPYXQWKJFMA-SNVBAGLBSA-N 0 3 295.347 -1.521 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001151749179 781851521 /nfs/dbraw/zinc/85/15/21/781851521.db2.gz QOCWJRPOUNZQFF-WDEREUQCSA-N 0 3 284.360 -1.699 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCNCc2cnnn2C)C1 ZINC001151748720 781851942 /nfs/dbraw/zinc/85/19/42/781851942.db2.gz JFLDHLUEGDNWLR-GFCCVEGCSA-N 0 3 296.375 -1.258 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001189344382 781853949 /nfs/dbraw/zinc/85/39/49/781853949.db2.gz ANSJCDMFGMWQGK-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(CCNC(=O)C1CC1)[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001189479196 781857124 /nfs/dbraw/zinc/85/71/24/781857124.db2.gz FBZUBYYVHBMZRD-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN COC[C@H](O)CN1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001189462218 781859519 /nfs/dbraw/zinc/85/95/19/781859519.db2.gz JLHUHBQYMCFIMD-HBNTYKKESA-N 0 3 295.343 -1.042 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1ccc[nH]1 ZINC001151768461 781861913 /nfs/dbraw/zinc/86/19/13/781861913.db2.gz JQMCCFMAEVKXSE-UHFFFAOYSA-N 0 3 267.289 -1.542 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](N(C)CCOCCO)C1 ZINC001189838114 781866458 /nfs/dbraw/zinc/86/64/58/781866458.db2.gz YWGBGSIBKANDIT-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001189933564 781868348 /nfs/dbraw/zinc/86/83/48/781868348.db2.gz LBYNDJXTSHURBH-NSHDSACASA-N 0 3 297.359 -1.030 20 0 CAADHN COCCN(C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187647 781870127 /nfs/dbraw/zinc/87/01/27/781870127.db2.gz QPHKJLFJOPYWNC-JTQLQIEISA-N 0 3 268.321 -1.148 20 0 CAADHN COCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@H]1O ZINC001190645990 781882462 /nfs/dbraw/zinc/88/24/62/781882462.db2.gz UPYFLFIDHXCSOW-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN COCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001190646212 781883422 /nfs/dbraw/zinc/88/34/22/781883422.db2.gz ZUKFNOJAUDNNTO-GMTAPVOTSA-N 0 3 258.318 -1.169 20 0 CAADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190725847 781887420 /nfs/dbraw/zinc/88/74/20/781887420.db2.gz ZACVGTNSRNHUDX-VXGBXAGGSA-N 0 3 287.360 -1.290 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CN(CCC2CC2)C[C@H]1O ZINC001190968173 781893789 /nfs/dbraw/zinc/89/37/89/781893789.db2.gz CYBOSUJNHIIJDD-NXEZZACHSA-N 0 3 270.333 -1.384 20 0 CAADHN C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977043 781895235 /nfs/dbraw/zinc/89/52/35/781895235.db2.gz AKYJXXZQKZUNIP-IWSPIJDZSA-N 0 3 276.312 -1.436 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001191720219 781916751 /nfs/dbraw/zinc/91/67/51/781916751.db2.gz QSFXEPXSGURDRR-RYUDHWBXSA-N 0 3 299.371 -1.336 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001420301756 890429480 /nfs/dbraw/zinc/42/94/80/890429480.db2.gz YZXIITURGYIPRC-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CNCC(=O)N(C)C1CC1 ZINC001420418898 890440372 /nfs/dbraw/zinc/44/03/72/890440372.db2.gz DVDIMYCDBYWKPK-VIFPVBQESA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CN1CCOCC1 ZINC001420408559 890439219 /nfs/dbraw/zinc/43/92/19/890439219.db2.gz IQXMZRYERIPOJK-QWRGUYRKSA-N 0 3 284.360 -1.699 20 0 CAADHN COCC(=O)NCCC(=O)NC[C@H]1CCCN1CCO ZINC001420478399 890443556 /nfs/dbraw/zinc/44/35/56/890443556.db2.gz BHQHDFXAUSLREE-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN COCC(C)(C)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001420449963 890444635 /nfs/dbraw/zinc/44/46/35/890444635.db2.gz YGCOIWVRCNHFBB-QMMMGPOBSA-N 0 3 288.348 -1.052 20 0 CAADHN CC(=O)N1CCC(C(=O)N[C@@H](C)CNCC(N)=O)CC1 ZINC001420511179 890448712 /nfs/dbraw/zinc/44/87/12/890448712.db2.gz HAEYBJMHLSSIPM-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC ZINC001420516768 890449307 /nfs/dbraw/zinc/44/93/07/890449307.db2.gz KZMACLPLKSFFAH-IUCAKERBSA-N 0 3 293.389 -1.350 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001420498816 890450787 /nfs/dbraw/zinc/45/07/87/890450787.db2.gz JSFKUOVBQXVJGC-DJLDLDEBSA-N 0 3 287.364 -1.209 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H](C)NC(N)=O ZINC001420714413 890459667 /nfs/dbraw/zinc/45/96/67/890459667.db2.gz MVZGNGOMIWTTRT-SFYZADRCSA-N 0 3 273.337 -1.774 20 0 CAADHN CNC(=O)NCCC(=O)N(C)CCN[C@@H](C)C(=O)NC ZINC001420718324 890460030 /nfs/dbraw/zinc/46/00/30/890460030.db2.gz SETRRMDHYKMIBU-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN Cc1nnc(CC(=O)N[C@H](CNCC(N)=O)C2CC2)o1 ZINC001420732971 890461114 /nfs/dbraw/zinc/46/11/14/890461114.db2.gz GTYZRQUFDILQSH-SECBINFHSA-N 0 3 281.316 -1.110 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1)C(N)=O ZINC001420721575 890461286 /nfs/dbraw/zinc/46/12/86/890461286.db2.gz ANRUOQOSHLZSOO-RKDXNWHRSA-N 0 3 270.333 -1.614 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001420720084 890461302 /nfs/dbraw/zinc/46/13/02/890461302.db2.gz YMYIBRXMYACRBG-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001420746195 890464954 /nfs/dbraw/zinc/46/49/54/890464954.db2.gz NMIGHAVMPXINEJ-BDAKNGLRSA-N 0 3 285.348 -1.549 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1COCCO1 ZINC001421108360 890486767 /nfs/dbraw/zinc/48/67/67/890486767.db2.gz WZVSOUXUZOMECN-UWVGGRQHSA-N 0 3 271.317 -1.532 20 0 CAADHN CN(CC(=O)N[C@]1(C)CCN(CCO)C1)S(C)(=O)=O ZINC001421200939 890490877 /nfs/dbraw/zinc/49/08/77/890490877.db2.gz DXPUBGIVHAFQFY-LLVKDONJSA-N 0 3 293.389 -1.549 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001421301326 890493928 /nfs/dbraw/zinc/49/39/28/890493928.db2.gz JSKBVKUJXOHICX-NXEZZACHSA-N 0 3 272.349 -1.171 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001421330881 890494605 /nfs/dbraw/zinc/49/46/05/890494605.db2.gz ORFBCASGGOIUEA-GWCFXTLKSA-N 0 3 287.360 -1.290 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H](C)NC(N)=O)C1 ZINC001421350738 890500803 /nfs/dbraw/zinc/50/08/03/890500803.db2.gz SGTBOMREQCBOTH-JOYOIKCWSA-N 0 3 288.348 -1.757 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@]1(F)CCOC1 ZINC001421374879 890502626 /nfs/dbraw/zinc/50/26/26/890502626.db2.gz JEHQULPBGLUCAX-RYUDHWBXSA-N 0 3 276.308 -1.340 20 0 CAADHN CC[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)NCC(N)=O ZINC001421416169 890511967 /nfs/dbraw/zinc/51/19/67/890511967.db2.gz DMKFZWNKONEJJT-RNCFNFMXSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001421552439 890516232 /nfs/dbraw/zinc/51/62/32/890516232.db2.gz GLVFIDGDYPLCKT-UFBFGSQYSA-N 0 3 284.316 -1.545 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@H]1CCOC1 ZINC001421646090 890526080 /nfs/dbraw/zinc/52/60/80/890526080.db2.gz VVWXKFNNUMTPEJ-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H]1CCCOC1)C(N)=O ZINC001421645338 890526151 /nfs/dbraw/zinc/52/61/51/890526151.db2.gz SZNMOLWYWBVSMB-QWRGUYRKSA-N 0 3 287.360 -1.303 20 0 CAADHN C[C@H](O)CN1CCN(CCC(=O)NC(N)=O)[C@@H](C)C1 ZINC001421727777 890528009 /nfs/dbraw/zinc/52/80/09/890528009.db2.gz PCFKINVZEIVIRD-UWVGGRQHSA-N 0 3 272.349 -1.042 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cn[nH]c1 ZINC001421872942 890540116 /nfs/dbraw/zinc/54/01/16/890540116.db2.gz AOKTUAZODAZAQI-ZETCQYMHSA-N 0 3 282.304 -1.345 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001421877766 890540939 /nfs/dbraw/zinc/54/09/39/890540939.db2.gz PUVRYYCEEHPRMV-PSASIEDQSA-N 0 3 288.348 -1.365 20 0 CAADHN CN(C)S(=O)(=O)CCN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001422050932 890546088 /nfs/dbraw/zinc/54/60/88/890546088.db2.gz PFMDITYHRFERFI-YUMQZZPRSA-N 0 3 292.361 -2.604 20 0 CAADHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@H](O)C1(O)CCOCC1 ZINC001422014458 890546921 /nfs/dbraw/zinc/54/69/21/890546921.db2.gz VCUUGXFBZVGICL-GARJFASQSA-N 0 3 289.328 -1.191 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](NCC(N)=O)C(C)C ZINC001422069409 890549281 /nfs/dbraw/zinc/54/92/81/890549281.db2.gz GLDUZHBQPBOMDO-PSASIEDQSA-N 0 3 272.349 -1.273 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cocn1 ZINC001422268816 890561807 /nfs/dbraw/zinc/56/18/07/890561807.db2.gz VKJFVCRXJIQQIR-SECBINFHSA-N 0 3 284.316 -1.121 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001422299085 890567974 /nfs/dbraw/zinc/56/79/74/890567974.db2.gz AHCJWNFUTZKVFK-BQBZGAKWSA-N 0 3 270.293 -2.631 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1csc(=O)[nH]1 ZINC001422343011 890579891 /nfs/dbraw/zinc/57/98/91/890579891.db2.gz PGPYJDIDTKNNBR-ZCFIWIBFSA-N 0 3 288.329 -1.725 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001422346617 890579906 /nfs/dbraw/zinc/57/99/06/890579906.db2.gz IXKAXRQCSWZVNW-IUCAKERBSA-N 0 3 293.389 -1.350 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001422343232 890580111 /nfs/dbraw/zinc/58/01/11/890580111.db2.gz JOKFYTCWEWVGND-SFYZADRCSA-N 0 3 295.361 -2.768 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001422351090 890580522 /nfs/dbraw/zinc/58/05/22/890580522.db2.gz VURKMQWMJHBNHR-SSDOTTSWSA-N 0 3 285.304 -2.448 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001422346610 890581482 /nfs/dbraw/zinc/58/14/82/890581482.db2.gz IXKAXRQCSWZVNW-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cccnn1 ZINC001422391530 890588920 /nfs/dbraw/zinc/58/89/20/890588920.db2.gz YZFHMGVMILKDMB-SECBINFHSA-N 0 3 281.316 -1.755 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC001422452866 890590679 /nfs/dbraw/zinc/59/06/79/890590679.db2.gz HROOHBMYSCMICC-RKDXNWHRSA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001422535670 890596129 /nfs/dbraw/zinc/59/61/29/890596129.db2.gz DETVFKUZVATBOZ-SFYZADRCSA-N 0 3 283.332 -1.032 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N(C)C[C@@H](O)COC ZINC001422521628 890596811 /nfs/dbraw/zinc/59/68/11/890596811.db2.gz SWZHYAFQNBGNCU-NXEZZACHSA-N 0 3 290.364 -1.641 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)C[C@@H]1CCOC1 ZINC001422478720 890596831 /nfs/dbraw/zinc/59/68/31/890596831.db2.gz WLUTWPZFFOYSIG-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001422565259 890600811 /nfs/dbraw/zinc/60/08/11/890600811.db2.gz OTPCCVNFMGSJQZ-BDAKNGLRSA-N 0 3 286.332 -1.286 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001422602267 890603187 /nfs/dbraw/zinc/60/31/87/890603187.db2.gz KMAZLQDQOQGXSA-WDEREUQCSA-N 0 3 286.376 -1.466 20 0 CAADHN CNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001422576962 890600456 /nfs/dbraw/zinc/60/04/56/890600456.db2.gz IBAGXNMEIYXRLG-BDAKNGLRSA-N 0 3 282.348 -1.082 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CCc1nnc[n-]1 ZINC001422637251 890606245 /nfs/dbraw/zinc/60/62/45/890606245.db2.gz RRBKSNWLBJZBLW-IUCAKERBSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCCCC1=O ZINC001422679290 890610309 /nfs/dbraw/zinc/61/03/09/890610309.db2.gz XGALCYHYEPXCHB-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCCCN1C(N)=O ZINC001422737342 890612914 /nfs/dbraw/zinc/61/29/14/890612914.db2.gz XJHKUJQMZUFBHU-IUCAKERBSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001423034509 890621868 /nfs/dbraw/zinc/62/18/68/890621868.db2.gz XIQZSLWEAQZVIG-RKDXNWHRSA-N 0 3 283.332 -2.102 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001423078823 890627232 /nfs/dbraw/zinc/62/72/32/890627232.db2.gz JNSKCXHPXJYKIY-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001423180871 890631958 /nfs/dbraw/zinc/63/19/58/890631958.db2.gz DDCBAMUYOCHDSV-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001423162710 890632464 /nfs/dbraw/zinc/63/24/64/890632464.db2.gz ROELRRDBFCOYQK-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](O)C(C)C ZINC001423445469 890673637 /nfs/dbraw/zinc/67/36/37/890673637.db2.gz UMHOTZIOVNAKHU-ZYHUDNBSSA-N 0 3 289.376 -1.452 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001423450089 890675172 /nfs/dbraw/zinc/67/51/72/890675172.db2.gz ASDAIFIFIGBAQB-HTQZYQBOSA-N 0 3 270.289 -1.839 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001423455176 890676455 /nfs/dbraw/zinc/67/64/55/890676455.db2.gz ASDCKBXWZIHXLP-BDAKNGLRSA-N 0 3 283.332 -1.386 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnco1 ZINC001423461250 890678220 /nfs/dbraw/zinc/67/82/20/890678220.db2.gz HMXBWFFSPRKLNV-QMMMGPOBSA-N 0 3 270.289 -1.557 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001423456902 890678432 /nfs/dbraw/zinc/67/84/32/890678432.db2.gz QSLLLQKDTMZDIE-JOYOIKCWSA-N 0 3 291.323 -1.730 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001423509756 890682444 /nfs/dbraw/zinc/68/24/44/890682444.db2.gz LIJJCEKEXVCHOE-LBPRGKRZSA-N 0 3 289.376 -1.138 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001423551453 890684204 /nfs/dbraw/zinc/68/42/04/890684204.db2.gz UWKSRSRDSRTECO-GHMZBOCLSA-N 0 3 287.360 -1.649 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)Cc1cncn1C ZINC001423542723 890684238 /nfs/dbraw/zinc/68/42/38/890684238.db2.gz WAONINLPSIIIHT-LBPRGKRZSA-N 0 3 284.360 -1.294 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001423583116 890686458 /nfs/dbraw/zinc/68/64/58/890686458.db2.gz VSYWPANVRSPXLS-ONGXEEELSA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@]1(C)CCN(CCO)C1 ZINC001423583109 890686972 /nfs/dbraw/zinc/68/69/72/890686972.db2.gz VSYWPANVRSPXLS-GXSJLCMTSA-N 0 3 293.389 -1.503 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001423745327 890693896 /nfs/dbraw/zinc/69/38/96/890693896.db2.gz VELUDJHWZQBBHD-WCQYABFASA-N 0 3 287.360 -2.138 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C(C)(C)C ZINC001423621676 890690622 /nfs/dbraw/zinc/69/06/22/890690622.db2.gz MNEXPLJYOQKAAM-DTWKUNHWSA-N 0 3 299.375 -1.466 20 0 CAADHN Cc1nonc1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001423795179 890696777 /nfs/dbraw/zinc/69/67/77/890696777.db2.gz VPMZTABDENYVJB-NSHDSACASA-N 0 3 270.289 -1.463 20 0 CAADHN COc1nc(C(=O)NC[C@@]2(O)CCN(CCO)C2)co1 ZINC001423773754 890698927 /nfs/dbraw/zinc/69/89/27/890698927.db2.gz DHQUNKRGHCKALH-LBPRGKRZSA-N 0 3 285.300 -1.158 20 0 CAADHN C[C@H]1CN(C(=O)CCS(C)(=O)=O)C[C@H]1NCC(N)=O ZINC001424470778 890732681 /nfs/dbraw/zinc/73/26/81/890732681.db2.gz FNJBLBNEFYCIPJ-DTWKUNHWSA-N 0 3 291.373 -1.657 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1C ZINC001424485311 890733518 /nfs/dbraw/zinc/73/35/18/890733518.db2.gz NTUDOSLFUNLJOM-GXSJLCMTSA-N 0 3 284.360 -1.353 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001424461605 890733530 /nfs/dbraw/zinc/73/35/30/890733530.db2.gz DBWXOKJXQKGEIY-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN COCC(=O)NC[C@H](CO)NC(=O)Cc1nc[nH]c1C ZINC001425280129 890762002 /nfs/dbraw/zinc/76/20/02/890762002.db2.gz SJQIKUABNKHWSX-SECBINFHSA-N 0 3 284.316 -1.500 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn[nH]c1)NCC(=O)NC(N)=O ZINC001425537206 890787456 /nfs/dbraw/zinc/78/74/56/890787456.db2.gz ZZKFETSSMXMHCH-ZETCQYMHSA-N 0 3 282.304 -1.345 20 0 CAADHN C[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1cncn1 ZINC001425996025 890839327 /nfs/dbraw/zinc/83/93/27/890839327.db2.gz HQYIVTDTYVUFBN-BDAKNGLRSA-N 0 3 284.320 -2.267 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001426029668 890843152 /nfs/dbraw/zinc/84/31/52/890843152.db2.gz FDUILLCHNDJTQR-RKDXNWHRSA-N 0 3 283.332 -1.386 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001426015660 890843179 /nfs/dbraw/zinc/84/31/79/890843179.db2.gz OYLDQVMHDPZOSM-YUMQZZPRSA-N 0 3 274.321 -2.608 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@]1(F)CCOC1 ZINC001426021804 890843207 /nfs/dbraw/zinc/84/32/07/890843207.db2.gz FRKCUJQJZZIDIN-KWQFWETISA-N 0 3 277.296 -1.991 20 0 CAADHN CC[C@@H](F)CNC[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001426018742 890845664 /nfs/dbraw/zinc/84/56/64/890845664.db2.gz YNWQOEJXZOZWQR-RKDXNWHRSA-N 0 3 288.327 -1.019 20 0 CAADHN Cc1nc[nH]c1CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001426038575 890848162 /nfs/dbraw/zinc/84/81/62/890848162.db2.gz BTTWMXGPBKVLQA-VIFPVBQESA-N 0 3 283.332 -1.845 20 0 CAADHN Cc1nc[nH]c1CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001426038568 890849156 /nfs/dbraw/zinc/84/91/56/890849156.db2.gz BTTWMXGPBKVLQA-SECBINFHSA-N 0 3 283.332 -1.845 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001426080775 890853184 /nfs/dbraw/zinc/85/31/84/890853184.db2.gz UUZJMWUGTUGNRS-VIFPVBQESA-N 0 3 272.309 -2.584 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001426080774 890854888 /nfs/dbraw/zinc/85/48/88/890854888.db2.gz UUZJMWUGTUGNRS-SECBINFHSA-N 0 3 272.309 -2.584 20 0 CAADHN COC1CCN(CCNC(=O)Cn2nnc(N)n2)CC1 ZINC001433748851 891049812 /nfs/dbraw/zinc/04/98/12/891049812.db2.gz AFTUUSBOUQNURB-UHFFFAOYSA-N 0 3 283.336 -1.518 20 0 CAADHN COCC(=O)NCCC(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001436482349 891150136 /nfs/dbraw/zinc/15/01/36/891150136.db2.gz VVGCYMDUKMTFPP-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CS(=O)(=O)NCCNC/C=C/CNC(=O)C(N)=O ZINC001497667009 893626221 /nfs/dbraw/zinc/62/62/21/893626221.db2.gz BYQDNLMQNLPYAU-NSCUHMNNSA-N 0 3 278.334 -2.717 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H](C)NC(C)=O)C1CC1 ZINC001436768445 891157013 /nfs/dbraw/zinc/15/70/13/891157013.db2.gz OBAIJGAPDWPJMR-LDYMZIIASA-N 0 3 284.360 -1.259 20 0 CAADHN C[C@@H](O)CN[C@@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001507211338 893995208 /nfs/dbraw/zinc/99/52/08/893995208.db2.gz KOCNXRAZHSEMSP-RNFRBKRXSA-N 0 3 283.275 -2.185 20 0 CAADHN CC[C@@H](N)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000129190800 883985417 /nfs/dbraw/zinc/98/54/17/883985417.db2.gz AQOMBPXPJAZALR-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1nc[n-]n1 ZINC000987204474 884006130 /nfs/dbraw/zinc/00/61/30/884006130.db2.gz SUZSAVWCLWVRKQ-RNFRBKRXSA-N 0 3 252.278 -1.517 20 0 CAADHN Cc1cnn(CCC(=O)NCCNCC(N)=O)c1 ZINC001152369943 884064447 /nfs/dbraw/zinc/06/44/47/884064447.db2.gz YMJSKLNYHZYKNZ-UHFFFAOYSA-N 0 3 253.306 -1.227 20 0 CAADHN CN(CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)S(C)(=O)=O ZINC001114363657 884042237 /nfs/dbraw/zinc/04/22/37/884042237.db2.gz HVBXPPDPSRHSID-JZYVYDRUSA-N 0 3 291.373 -2.084 20 0 CAADHN COC(=O)NCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001124181961 884053251 /nfs/dbraw/zinc/05/32/51/884053251.db2.gz NGDIIIYBYQMVKZ-UHFFFAOYSA-N 0 3 288.348 -1.037 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnns1 ZINC001124163439 884053871 /nfs/dbraw/zinc/05/38/71/884053871.db2.gz MHNUORPAQGOVLO-ZCFIWIBFSA-N 0 3 257.319 -1.008 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CNC(=O)OC ZINC001124172725 884054254 /nfs/dbraw/zinc/05/42/54/884054254.db2.gz PUGXGADMOQFRIN-UHFFFAOYSA-N 0 3 289.292 -2.496 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)n1cncn1 ZINC001125919140 884055444 /nfs/dbraw/zinc/05/54/44/884055444.db2.gz SRLOWRZUQQVLHE-BDAKNGLRSA-N 0 3 268.321 -1.321 20 0 CAADHN CC[C@H](NCCNC(=O)c1cn(C)nn1)C(N)=O ZINC001126654133 884057299 /nfs/dbraw/zinc/05/72/99/884057299.db2.gz LMRHAYUDTXXNFF-ZETCQYMHSA-N 0 3 254.294 -1.602 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H](C)n1cncn1)C(N)=O ZINC001125919221 884057328 /nfs/dbraw/zinc/05/73/28/884057328.db2.gz VBZOODXWQJWXCS-DTWKUNHWSA-N 0 3 268.321 -1.191 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001126654139 884057418 /nfs/dbraw/zinc/05/74/18/884057418.db2.gz LROJRRKMWYGURU-QMMMGPOBSA-N 0 3 268.321 -1.389 20 0 CAADHN COCCOCCN1C[C@@H](C)[C@H](NC(=O)CC(N)=O)C1 ZINC001206722111 884075931 /nfs/dbraw/zinc/07/59/31/884075931.db2.gz WDISDPONWOXJCB-GHMZBOCLSA-N 0 3 287.360 -1.039 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnco1)C(N)=O ZINC001268319429 884091329 /nfs/dbraw/zinc/09/13/29/884091329.db2.gz XPWUGMMHTIKJRN-RQJHMYQMSA-N 0 3 256.262 -1.771 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CNCC(N)=O)cnn1C ZINC001268301514 884091725 /nfs/dbraw/zinc/09/17/25/884091725.db2.gz SCJPWHRZTFKEER-MRVPVSSYSA-N 0 3 269.305 -2.106 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC12CCC2 ZINC001268323383 884091870 /nfs/dbraw/zinc/09/18/70/884091870.db2.gz IGCQSOQAUGXACH-IUCAKERBSA-N 0 3 255.318 -1.271 20 0 CAADHN C[C@@]1(O)COCCN(C[C@@H](O)CN2CCOCC2)C1 ZINC001251010103 884080722 /nfs/dbraw/zinc/08/07/22/884080722.db2.gz TVYIDKVTORRHHL-STQMWFEESA-N 0 3 274.361 -1.237 20 0 CAADHN CCOC(=O)CNC(=O)CNC(=O)CNCC(C)(C)O ZINC001252367944 884082223 /nfs/dbraw/zinc/08/22/23/884082223.db2.gz VVRIIKWEBHGQAR-UHFFFAOYSA-N 0 3 289.332 -1.858 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)C(C)(C)C(N)=O ZINC001274105796 884102246 /nfs/dbraw/zinc/10/22/46/884102246.db2.gz OQYZITJGGGFTIQ-UDIARPCQSA-N 0 3 284.360 -1.106 20 0 CAADHN CCOCC(=O)NC/C=C/CN[C@H](C)C(=O)NC(N)=O ZINC001273822629 884099188 /nfs/dbraw/zinc/09/91/88/884099188.db2.gz KONZAGKPIWHWQR-XNPJLODASA-N 0 3 286.332 -1.132 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001307731160 884125515 /nfs/dbraw/zinc/12/55/15/884125515.db2.gz BRVRXRKIUSJKMD-VAOFZXAKSA-N 0 3 257.290 -1.598 20 0 CAADHN CN(C)S(=O)(=O)CCCN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC001307785450 884123281 /nfs/dbraw/zinc/12/32/81/884123281.db2.gz LFBLUOPUTGFLTL-DTORHVGOSA-N 0 3 289.357 -1.528 20 0 CAADHN NS(=O)(=O)c1ccc(CNC[C@@H](O)CO)cc1 ZINC001308387159 884130928 /nfs/dbraw/zinc/13/09/28/884130928.db2.gz CQEWOVHNHRAQEM-SECBINFHSA-N 0 3 260.315 -1.223 20 0 CAADHN CN(C)S(=O)(=O)NCCNC1COCCOC1 ZINC001308752352 884133451 /nfs/dbraw/zinc/13/34/51/884133451.db2.gz VZBGBTKMVZZOMB-UHFFFAOYSA-N 0 3 267.351 -1.613 20 0 CAADHN NC(=O)Cn1cc(CNC[C@@H]2CNC(=O)C2)nn1 ZINC001308436148 884131526 /nfs/dbraw/zinc/13/15/26/884131526.db2.gz HOSBJOAZRGEKNC-SSDOTTSWSA-N 0 3 252.278 -2.011 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCc2nc(N)n[nH]2)C1 ZINC001313165440 884146651 /nfs/dbraw/zinc/14/66/51/884146651.db2.gz UWIZMKBARAJAHI-JTQLQIEISA-N 0 3 269.309 -1.747 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CCNC1=O ZINC001316842524 884155893 /nfs/dbraw/zinc/15/58/93/884155893.db2.gz HYTWSEYLCDBMCE-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](C)N[C@H](C)C(N)=O)n1 ZINC001317234564 884178476 /nfs/dbraw/zinc/17/84/76/884178476.db2.gz IFQRWMNVXXEDFM-JGVFFNPUSA-N 0 3 268.321 -1.120 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](C)N[C@@H](C)C(N)=O)n1 ZINC001317234569 884178621 /nfs/dbraw/zinc/17/86/21/884178621.db2.gz IFQRWMNVXXEDFM-SFYZADRCSA-N 0 3 268.321 -1.120 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)Cn1cnnn1)C(N)=O ZINC001317224522 884179556 /nfs/dbraw/zinc/17/95/56/884179556.db2.gz JFQDRWSBTNVIRJ-JGVFFNPUSA-N 0 3 269.309 -1.969 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C1CC1)NCC(N)=O ZINC001317226476 884179663 /nfs/dbraw/zinc/17/96/63/884179663.db2.gz FACRKGQUGNNCCB-SSDOTTSWSA-N 0 3 256.306 -1.908 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CCNC1=O ZINC001316842521 884160257 /nfs/dbraw/zinc/16/02/57/884160257.db2.gz HYTWSEYLCDBMCE-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCN(C[C@H](C)O)C1 ZINC001316980616 884163069 /nfs/dbraw/zinc/16/30/69/884163069.db2.gz OZOUWWMFXAPBKH-DTWKUNHWSA-N 0 3 258.322 -1.513 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCN(C)C1=O ZINC001317261197 884183277 /nfs/dbraw/zinc/18/32/77/884183277.db2.gz FJBREUWYSJULMG-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)NCC(N)=O ZINC001317283271 884186693 /nfs/dbraw/zinc/18/66/93/884186693.db2.gz MHBUTEJUJBDFCM-QMMMGPOBSA-N 0 3 266.301 -1.422 20 0 CAADHN C[C@@H](CNC(=O)CCc1cn[nH]c1)NCC(N)=O ZINC001317271283 884186780 /nfs/dbraw/zinc/18/67/80/884186780.db2.gz QOXWYZYTTFWXLS-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)C(N)=O ZINC001317430589 884192371 /nfs/dbraw/zinc/19/23/71/884192371.db2.gz XQZHNHCFXHYJAU-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN(C)C[C@H](C)O)C1 ZINC001317445075 884194250 /nfs/dbraw/zinc/19/42/50/884194250.db2.gz QMJUIBLCZGFFIN-VIFPVBQESA-N 0 3 257.334 -1.107 20 0 CAADHN CN(CCNC(=O)c1cnn(C)c1N)CCOCCO ZINC001317445333 884194932 /nfs/dbraw/zinc/19/49/32/884194932.db2.gz SYVZFDDTQIIXER-UHFFFAOYSA-N 0 3 285.348 -1.327 20 0 CAADHN NC(=O)C1(C(=O)NC[C@@H]2CCCN2CCO)CC1 ZINC001317510804 884209690 /nfs/dbraw/zinc/20/96/90/884209690.db2.gz YCGVRRTXOVQERN-VIFPVBQESA-N 0 3 255.318 -1.175 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)C(C)(C)C(N)=O ZINC001317597165 884227462 /nfs/dbraw/zinc/22/74/62/884227462.db2.gz BKEJPNCMSKJLBF-UHFFFAOYSA-N 0 3 284.360 -1.222 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)c1cn(C)nn1 ZINC001317583400 884219303 /nfs/dbraw/zinc/21/93/03/884219303.db2.gz MRGHXRQGXKHEHG-UHFFFAOYSA-N 0 3 268.321 -1.435 20 0 CAADHN CN(CCNCC(N)=O)C(=O)C1(NC(N)=O)CCCCC1 ZINC001317636901 884230839 /nfs/dbraw/zinc/23/08/39/884230839.db2.gz SFHRRZGASVTINU-UHFFFAOYSA-N 0 3 299.375 -1.109 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCNC(N)=O)C(N)=O ZINC001317663915 884234701 /nfs/dbraw/zinc/23/47/01/884234701.db2.gz XQKIMAJPRCCGAG-ZETCQYMHSA-N 0 3 259.310 -2.033 20 0 CAADHN CNC(=O)CN1CCC(NC(=O)CN(C)C)CC1 ZINC001318251247 884260631 /nfs/dbraw/zinc/26/06/31/884260631.db2.gz XPIPJVXEPALOLA-UHFFFAOYSA-N 0 3 256.350 -1.125 20 0 CAADHN C[C@H](CNC(=S)NCC(N)=O)CN1CCN(C)CC1 ZINC001318209428 884260965 /nfs/dbraw/zinc/26/09/65/884260965.db2.gz CPBBCOMEDNOJNL-SNVBAGLBSA-N 0 3 287.433 -1.181 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NCC(=O)NC(C)C ZINC001318568347 884283866 /nfs/dbraw/zinc/28/38/66/884283866.db2.gz MSPGLYLOJQFQDG-QMMMGPOBSA-N 0 3 258.322 -1.519 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NCC(=O)N(C)C1CC1 ZINC001318567217 884285461 /nfs/dbraw/zinc/28/54/61/884285461.db2.gz GKXGNVYIGOZYKJ-QMMMGPOBSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@@H](CNC(=O)c1cnn(C)n1)NCC(=O)NC ZINC001318583449 884288380 /nfs/dbraw/zinc/28/83/80/884288380.db2.gz VLYQTQZCVKLYSJ-QMMMGPOBSA-N 0 3 268.321 -1.341 20 0 CAADHN CCn1cc(C(=O)N(C)[C@@H](C)CNCC(N)=O)nn1 ZINC001319553288 884338234 /nfs/dbraw/zinc/33/82/34/884338234.db2.gz UFTXAYFGVPSEKB-QMMMGPOBSA-N 0 3 268.321 -1.167 20 0 CAADHN COCCN(C)CCNC(=O)[C@H](CO)NC(N)=O ZINC001319873823 884357296 /nfs/dbraw/zinc/35/72/96/884357296.db2.gz SROJXGLMFJUIJR-QMMMGPOBSA-N 0 3 262.310 -2.290 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCC(=O)NC1=O)C1CC1 ZINC001320185862 884378465 /nfs/dbraw/zinc/37/84/65/884378465.db2.gz FGCYOGQBVQKEQJ-BDAKNGLRSA-N 0 3 269.301 -1.732 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1=COCCC1 ZINC001320199231 884381692 /nfs/dbraw/zinc/38/16/92/884381692.db2.gz ASJFLVQYBSEFKV-VIFPVBQESA-N 0 3 257.290 -1.767 20 0 CAADHN CC(=O)NC[C@H](O)CNCCN(C)S(C)(=O)=O ZINC001320187254 884381798 /nfs/dbraw/zinc/38/17/98/884381798.db2.gz KPZRAOISILCOGT-SECBINFHSA-N 0 3 267.351 -2.036 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001320198890 884381924 /nfs/dbraw/zinc/38/19/24/884381924.db2.gz HHOMYGNFTQMFEU-JGVFFNPUSA-N 0 3 269.305 -1.776 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccco1)C(N)=O ZINC001320187267 884382785 /nfs/dbraw/zinc/38/27/85/884382785.db2.gz KSFWWCDGNXULLK-YUMQZZPRSA-N 0 3 255.274 -1.166 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C(F)F ZINC001320186949 884382831 /nfs/dbraw/zinc/38/28/31/884382831.db2.gz JFAHTRYENXRTMW-ZCFIWIBFSA-N 0 3 253.249 -1.594 20 0 CAADHN CC(C)(C)OCC(=O)NC[C@H](O)CNCC(N)=O ZINC001320215054 884389893 /nfs/dbraw/zinc/38/98/93/884389893.db2.gz GKYSVUBBMDCLLT-MRVPVSSYSA-N 0 3 261.322 -1.647 20 0 CAADHN CCCOCC(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001320205948 884391786 /nfs/dbraw/zinc/39/17/86/884391786.db2.gz VWEHKENDMKMANX-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001320216998 884391924 /nfs/dbraw/zinc/39/19/24/884391924.db2.gz LSRKNLPKEMDGKS-SFYZADRCSA-N 0 3 269.305 -1.776 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001320201151 884385585 /nfs/dbraw/zinc/38/55/85/884385585.db2.gz PAAZMGOPMJSDFB-RKDXNWHRSA-N 0 3 259.306 -1.893 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001320201784 884385644 /nfs/dbraw/zinc/38/56/44/884385644.db2.gz PWOZRCIXMKOCPM-HTQZYQBOSA-N 0 3 261.278 -3.046 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001320201410 884385788 /nfs/dbraw/zinc/38/57/88/884385788.db2.gz KROBBRDGRMWZLE-SVDPJWKOSA-N 0 3 269.345 -1.155 20 0 CAADHN Cc1c(C(=O)NC[C@@]2(O)CCN(C)C2)nnn1C ZINC001320228515 884394507 /nfs/dbraw/zinc/39/45/07/884394507.db2.gz YJRYLTLLZTVRCT-NSHDSACASA-N 0 3 253.306 -1.080 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CNCCS(C)(=O)=O)CC1 ZINC001320233930 884397695 /nfs/dbraw/zinc/39/76/95/884397695.db2.gz SNQYXNVWFUUVMT-VIFPVBQESA-N 0 3 278.374 -1.102 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001320256346 884403016 /nfs/dbraw/zinc/40/30/16/884403016.db2.gz GLXFMGMCWXEVKB-FBIMIBRVSA-N 0 3 269.345 -1.012 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@H](O)CNCCF ZINC001320303058 884411040 /nfs/dbraw/zinc/41/10/40/884411040.db2.gz LCSHATUEWJNNKK-JGVFFNPUSA-N 0 3 290.295 -1.989 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cnn(C)c1 ZINC001320675273 884439141 /nfs/dbraw/zinc/43/91/41/884439141.db2.gz YOWDBCAOPCHYMY-UHFFFAOYSA-N 0 3 253.306 -1.043 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cn(C)c(=O)n1C ZINC001320927676 884453783 /nfs/dbraw/zinc/45/37/83/884453783.db2.gz AZKDBVPTGXHARQ-UHFFFAOYSA-N 0 3 283.332 -1.739 20 0 CAADHN CC[C@H](NC/C=C\CNC(=O)CN(C)C(C)=O)C(N)=O ZINC001320972491 884457671 /nfs/dbraw/zinc/45/76/71/884457671.db2.gz RABVOICSHPXRQG-GZTOBOFZSA-N 0 3 284.360 -1.009 20 0 CAADHN CC[C@@H](NC/C=C\CNC(=O)CN(C)C(C)=O)C(N)=O ZINC001320972492 884457685 /nfs/dbraw/zinc/45/76/85/884457685.db2.gz RABVOICSHPXRQG-ISALQUGTSA-N 0 3 284.360 -1.009 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1ccc(=O)[nH]n1 ZINC001321455843 884495454 /nfs/dbraw/zinc/49/54/54/884495454.db2.gz WWQFIWDQTURKTH-ZCFIWIBFSA-N 0 3 253.262 -1.625 20 0 CAADHN C[C@H](CNCCS(C)(=O)=O)NC(=O)c1cn(C)nn1 ZINC001321499495 884497473 /nfs/dbraw/zinc/49/74/73/884497473.db2.gz GOTWHBSSLPYTOS-MRVPVSSYSA-N 0 3 289.361 -1.432 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1nnn(C)n1 ZINC001321617235 884503140 /nfs/dbraw/zinc/50/31/40/884503140.db2.gz INIOFHPQBPNWPR-RQJHMYQMSA-N 0 3 267.293 -2.194 20 0 CAADHN CC[C@H](NC/C=C/CNC(=O)CN(C)C(C)=O)C(N)=O ZINC001320972494 884459356 /nfs/dbraw/zinc/45/93/56/884459356.db2.gz RABVOICSHPXRQG-QRGHLMKCSA-N 0 3 284.360 -1.009 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC=CC[NH2+][C@H](C)C(N)=O ZINC001321193437 884478594 /nfs/dbraw/zinc/47/85/94/884478594.db2.gz QEZMGMUTNYWLQJ-MPJRPATESA-N 0 3 266.305 -1.137 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)C[C@H]1CCC(=O)N1)C(N)=O ZINC001321292621 884484624 /nfs/dbraw/zinc/48/46/24/884484624.db2.gz XEDRCAGUBMEMKU-MDCNRGEUSA-N 0 3 282.344 -1.209 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc(=O)[nH]n1 ZINC001321779204 884515150 /nfs/dbraw/zinc/51/51/50/884515150.db2.gz MTZKGLUIXDLIIG-BQBZGAKWSA-N 0 3 267.289 -1.236 20 0 CAADHN COCC(=O)N[C@@H](C)CNCCN1CCCS1(=O)=O ZINC001321769413 884515559 /nfs/dbraw/zinc/51/55/59/884515559.db2.gz UZHLGTMAMKPSRD-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN C[C@@H](CNCCS(C)(=O)=O)NC(=O)c1cnon1 ZINC001322024120 884532949 /nfs/dbraw/zinc/53/29/49/884532949.db2.gz WRDJLDYFGHLJST-ZETCQYMHSA-N 0 3 276.318 -1.178 20 0 CAADHN C[C@H](CN(C)[C@@H](C)C(N)=O)NC(=O)c1ncn[nH]1 ZINC001322269389 884547131 /nfs/dbraw/zinc/54/71/31/884547131.db2.gz NKKLQTFAIIOGDY-RQJHMYQMSA-N 0 3 254.294 -1.271 20 0 CAADHN C[C@H](CN(C)[C@@H](C)C(N)=O)NC(=O)c1nc[nH]n1 ZINC001322269389 884547145 /nfs/dbraw/zinc/54/71/45/884547145.db2.gz NKKLQTFAIIOGDY-RQJHMYQMSA-N 0 3 254.294 -1.271 20 0 CAADHN C[C@H](CN(C)[C@H](C)C(N)=O)NC(=O)c1ncn[nH]1 ZINC001322269388 884547857 /nfs/dbraw/zinc/54/78/57/884547857.db2.gz NKKLQTFAIIOGDY-RNFRBKRXSA-N 0 3 254.294 -1.271 20 0 CAADHN C[C@H](CN(C)[C@H](C)C(N)=O)NC(=O)c1nc[nH]n1 ZINC001322269388 884547868 /nfs/dbraw/zinc/54/78/68/884547868.db2.gz NKKLQTFAIIOGDY-RNFRBKRXSA-N 0 3 254.294 -1.271 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001323633214 884628633 /nfs/dbraw/zinc/62/86/33/884628633.db2.gz CIDTZSCCLZZGBH-GARJFASQSA-N 0 3 267.329 -1.068 20 0 CAADHN NC(=O)C[C@H]1CCN(CC(=O)N2CCNC2=O)C1 ZINC001325344329 884730282 /nfs/dbraw/zinc/73/02/82/884730282.db2.gz BTAVJBYIICWTJS-MRVPVSSYSA-N 0 3 254.290 -1.265 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCF)C1)c1ncn[nH]1 ZINC001325141947 884715092 /nfs/dbraw/zinc/71/50/92/884715092.db2.gz QVGDTBHCZBISBW-SNVBAGLBSA-N 0 3 257.269 -1.059 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCF)C1)c1nc[nH]n1 ZINC001325141947 884715103 /nfs/dbraw/zinc/71/51/03/884715103.db2.gz QVGDTBHCZBISBW-SNVBAGLBSA-N 0 3 257.269 -1.059 20 0 CAADHN CCS(=O)(=O)CCNC[C@@H](O)Cn1ccnn1 ZINC001326200503 884774327 /nfs/dbraw/zinc/77/43/27/884774327.db2.gz CAZMLCWMLAAVNT-SECBINFHSA-N 0 3 262.335 -1.337 20 0 CAADHN CCOC(=O)CC[C@H](O)CN[C@H](CO)C(=O)NC ZINC001326230471 884777094 /nfs/dbraw/zinc/77/70/94/884777094.db2.gz CZFVFVNUOAKIJJ-DTWKUNHWSA-N 0 3 262.306 -1.613 20 0 CAADHN CCOC(=O)CC[C@H](O)CN[C@@H](CO)C(=O)NC ZINC001326230472 884777442 /nfs/dbraw/zinc/77/74/42/884777442.db2.gz CZFVFVNUOAKIJJ-IUCAKERBSA-N 0 3 262.306 -1.613 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1cc[nH]c1 ZINC001326031317 884760961 /nfs/dbraw/zinc/76/09/61/884760961.db2.gz CBZGLWRGPUWQAG-UHFFFAOYSA-N 0 3 254.290 -1.476 20 0 CAADHN CC(C)(N)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC001326030146 884761058 /nfs/dbraw/zinc/76/10/58/884761058.db2.gz HDMPFZLRGIQREI-UHFFFAOYSA-N 0 3 263.363 -1.430 20 0 CAADHN NS(=O)(=O)CCCNC(=O)CNC[C@@H]1CCCO1 ZINC001326346715 884789610 /nfs/dbraw/zinc/78/96/10/884789610.db2.gz OBOUNBBVEYZFHC-VIFPVBQESA-N 0 3 279.362 -1.450 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)C(=O)N(C)CCN)CS1(=O)=O ZINC001327524703 884896256 /nfs/dbraw/zinc/89/62/56/884896256.db2.gz QJEMINBUTWFBRU-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)NC[C@H](C)S(C)(=O)=O ZINC001327533329 884896302 /nfs/dbraw/zinc/89/63/02/884896302.db2.gz RBRUPIHYKXVTIV-SFYZADRCSA-N 0 3 279.362 -1.659 20 0 CAADHN NC[C@H]1CC(C(=O)N2CCS(=O)(=O)CC2)=NO1 ZINC001327597351 884909785 /nfs/dbraw/zinc/90/97/85/884909785.db2.gz RBELHMCFUXIEGT-SSDOTTSWSA-N 0 3 261.303 -1.653 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)Cc1nc[nH]c1C ZINC001327636692 884911816 /nfs/dbraw/zinc/91/18/16/884911816.db2.gz ZRLUORSKJKHQQL-UHFFFAOYSA-N 0 3 268.273 -1.334 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001327845826 884933104 /nfs/dbraw/zinc/93/31/04/884933104.db2.gz HARPIVBCDIKQCF-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCCNC(=O)CN[C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001327903524 884937112 /nfs/dbraw/zinc/93/71/12/884937112.db2.gz OJZLEUJOZCNJTP-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN O=C([C@H]1CCC(=O)NC1)N1CCOC2(CNC2)C1 ZINC001328070368 884951196 /nfs/dbraw/zinc/95/11/96/884951196.db2.gz AVUAVGHKHCKBAF-VIFPVBQESA-N 0 3 253.302 -1.287 20 0 CAADHN CCOC(=O)[C@@H](N)C(=O)NCCN1CCN(CC)CC1 ZINC001328454000 884987198 /nfs/dbraw/zinc/98/71/98/884987198.db2.gz BCHSZAHXKTYYBJ-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCC[NH2+]C1 ZINC001328522770 884997054 /nfs/dbraw/zinc/99/70/54/884997054.db2.gz QENIQGLGWSECJE-YFKPBYRVSA-N 0 3 253.262 -1.048 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)C(N)=O ZINC001328644413 885007643 /nfs/dbraw/zinc/00/76/43/885007643.db2.gz YOOWURUIYPVRFK-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)[C@H](C)NCC(N)=O ZINC001328976501 885039612 /nfs/dbraw/zinc/03/96/12/885039612.db2.gz ALAUGAGVYXJKEC-NKWVEPMBSA-N 0 3 255.282 -2.359 20 0 CAADHN Nc1nc(N)nc(N2CCCS(=O)(=O)CC2)n1 ZINC001328790074 885022339 /nfs/dbraw/zinc/02/23/39/885022339.db2.gz ZWQCTVAGYZMUCP-UHFFFAOYSA-N 0 3 258.307 -1.339 20 0 CAADHN C[C@H](NCC(=O)N1CCOCC1)[C@H](C)NC(=O)C(N)=O ZINC001329113574 885064942 /nfs/dbraw/zinc/06/49/42/885064942.db2.gz XBULWFRIACOXPT-IUCAKERBSA-N 0 3 286.332 -2.187 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001329058711 885054418 /nfs/dbraw/zinc/05/44/18/885054418.db2.gz CIGWZSYSBWGWRK-QWRGUYRKSA-N 0 3 265.317 -1.054 20 0 CAADHN Cn1cc(CNC[C@@H]2COCCN2)c(=O)n(C)c1=O ZINC001329135579 885070601 /nfs/dbraw/zinc/07/06/01/885070601.db2.gz SPDIEHRYKYWKLN-SNVBAGLBSA-N 0 3 268.317 -1.838 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)N(C)C[C@@H](O)Cn1cccn1 ZINC001329529466 885113951 /nfs/dbraw/zinc/11/39/51/885113951.db2.gz BAXAYNASLLDSPU-NXEZZACHSA-N 0 3 283.332 -1.834 20 0 CAADHN CC(=O)N1CC[C@@H](NC(=O)C(=O)N(C)CCN(C)C)C1 ZINC001329559610 885117191 /nfs/dbraw/zinc/11/71/91/885117191.db2.gz FMWMCBLSUHWGNM-LLVKDONJSA-N 0 3 284.360 -1.257 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)CCS(=O)(=O)CC ZINC001329611346 885119496 /nfs/dbraw/zinc/11/94/96/885119496.db2.gz BNVGNEOAWBFDSM-UHFFFAOYSA-N 0 3 293.389 -1.313 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)CCN ZINC001329843330 885144823 /nfs/dbraw/zinc/14/48/23/885144823.db2.gz PWOUBIFUOZURHJ-SFYZADRCSA-N 0 3 293.345 -2.668 20 0 CAADHN NC(=O)CNCC1(NC(=O)C(N)=O)CCCCC1 ZINC001329846243 885145597 /nfs/dbraw/zinc/14/55/97/885145597.db2.gz QMXMHVXTHLMYQS-UHFFFAOYSA-N 0 3 256.306 -1.634 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N[C@H](C)CN ZINC001329844524 885146933 /nfs/dbraw/zinc/14/69/33/885146933.db2.gz ZOBUOAFDMWAJLR-PRJMDXOYSA-N 0 3 293.345 -2.622 20 0 CAADHN NC(=O)NCCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001329925171 885155820 /nfs/dbraw/zinc/15/58/20/885155820.db2.gz NXXPXDRSCDZRQH-DTWKUNHWSA-N 0 3 256.306 -1.678 20 0 CAADHN C[C@H](O)CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001330518715 885200548 /nfs/dbraw/zinc/20/05/48/885200548.db2.gz DOYWBNFNAHFCRH-LURJTMIESA-N 0 3 255.278 -1.179 20 0 CAADHN NC(=O)COC1CCN(CCn2cnnn2)CC1 ZINC001330655937 885220135 /nfs/dbraw/zinc/22/01/35/885220135.db2.gz BGJSPGZYAVXPOM-UHFFFAOYSA-N 0 3 254.294 -1.361 20 0 CAADHN CO[C@@H](CN)C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001330875083 885239368 /nfs/dbraw/zinc/23/93/68/885239368.db2.gz FQSFNVLJGOPLLR-VGMNWLOBSA-N 0 3 257.290 -1.083 20 0 CAADHN CCNC(=O)CC(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001331274740 885272137 /nfs/dbraw/zinc/27/21/37/885272137.db2.gz OEFNYBHOULKWBP-JTQLQIEISA-N 0 3 284.360 -1.176 20 0 CAADHN O=C1CNC(=O)N1CCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001331504066 885285221 /nfs/dbraw/zinc/28/52/21/885285221.db2.gz IZKSAVHNFAEIFP-HTQZYQBOSA-N 0 3 253.258 -1.357 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1nc[n-]n1 ZINC001331593396 885292517 /nfs/dbraw/zinc/29/25/17/885292517.db2.gz IUGHTGTZWFBPBI-JGVFFNPUSA-N 0 3 268.321 -1.011 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1ccnn1C ZINC001331683706 885310243 /nfs/dbraw/zinc/31/02/43/885310243.db2.gz MKTNFYCUYPDITO-SECBINFHSA-N 0 3 256.306 -1.253 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)Cc1cc[nH]n1 ZINC001331685984 885310890 /nfs/dbraw/zinc/31/08/90/885310890.db2.gz UHNRWSPAFCAINZ-SNVBAGLBSA-N 0 3 256.306 -1.335 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)CN1C(=O)CNC1=O ZINC001331818700 885350899 /nfs/dbraw/zinc/35/08/99/885350899.db2.gz ITVRDSPXIYUCIF-MRVPVSSYSA-N 0 3 288.304 -2.749 20 0 CAADHN COC(=O)[C@@]1(O)CCN(CCCN2C(=O)CNC2=O)C1 ZINC001331847448 885356973 /nfs/dbraw/zinc/35/69/73/885356973.db2.gz NAMIZVSCXVXHPU-GFCCVEGCSA-N 0 3 285.300 -1.462 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001331788459 885349442 /nfs/dbraw/zinc/34/94/42/885349442.db2.gz VYUJBSCJDVSSCZ-KXUCPTDWSA-N 0 3 289.332 -2.268 20 0 CAADHN CN(CCNCc1cn(C)nn1)CCOCCO ZINC001331932257 885370730 /nfs/dbraw/zinc/37/07/30/885370730.db2.gz FGWVCZARZJFUSI-UHFFFAOYSA-N 0 3 257.338 -1.155 20 0 CAADHN CN(C)CCn1nccc1C(=O)NC(CO)CO ZINC001331924020 885365082 /nfs/dbraw/zinc/36/50/82/885365082.db2.gz RJEILNFUMORAIR-UHFFFAOYSA-N 0 3 256.306 -1.472 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(c2nncn2C)CC1 ZINC001331968390 885367531 /nfs/dbraw/zinc/36/75/31/885367531.db2.gz HSKQTGVMQBGMSU-VIFPVBQESA-N 0 3 268.321 -1.563 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC001332358868 885403594 /nfs/dbraw/zinc/40/35/94/885403594.db2.gz ALQYMJQYMPKGAF-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC001332358864 885403601 /nfs/dbraw/zinc/40/36/01/885403601.db2.gz ALQYMJQYMPKGAF-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)C(F)F)C(N)=O ZINC001332470377 885411655 /nfs/dbraw/zinc/41/16/55/885411655.db2.gz JHQBAIBAKPRDAH-WDSKDSINSA-N 0 3 253.249 -1.466 20 0 CAADHN CC(C)C(=O)N(C)C[C@H](O)CNCCNS(C)(=O)=O ZINC001332476881 885412997 /nfs/dbraw/zinc/41/29/97/885412997.db2.gz UOPYGGRASKAFRE-SNVBAGLBSA-N 0 3 295.405 -1.400 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccoc1 ZINC001332475053 885413442 /nfs/dbraw/zinc/41/34/42/885413442.db2.gz LKCLLYBWHFBAQJ-SECBINFHSA-N 0 3 255.274 -1.213 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)COC)C(N)=O ZINC001332472588 885413533 /nfs/dbraw/zinc/41/35/33/885413533.db2.gz UCVWOKOXCARBRV-IUCAKERBSA-N 0 3 261.322 -1.694 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CC(C)(C)O ZINC001332506942 885415081 /nfs/dbraw/zinc/41/50/81/885415081.db2.gz ZELGLEXDSAKXKS-QMMMGPOBSA-N 0 3 261.322 -1.958 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)c1cnn(C)c1N ZINC001332506827 885415399 /nfs/dbraw/zinc/41/53/99/885415399.db2.gz YFDWKWSBWGSDTQ-MRVPVSSYSA-N 0 3 273.312 -1.006 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cocn1 ZINC001332490573 885415441 /nfs/dbraw/zinc/41/54/41/885415441.db2.gz MZMGRJZYJKOIGL-SSDOTTSWSA-N 0 3 256.262 -1.818 20 0 CAADHN COCCNCC(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001332518183 885416243 /nfs/dbraw/zinc/41/62/43/885416243.db2.gz WRTDQVVJKGSGHQ-SNVBAGLBSA-N 0 3 272.349 -1.712 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001332604735 885427501 /nfs/dbraw/zinc/42/75/01/885427501.db2.gz CHSRGFFSUPSIIN-IUCAKERBSA-N 0 3 297.352 -1.944 20 0 CAADHN O=C(CCn1cnnn1)NCCN1CC[C@@H](O)C1 ZINC001332702210 885432075 /nfs/dbraw/zinc/43/20/75/885432075.db2.gz FENBYRHVJYRVDW-SECBINFHSA-N 0 3 254.294 -1.754 20 0 CAADHN CO[C@@H]1CN(C[C@@H](O)C[C@]2(O)CCOC2)C[C@H]1O ZINC001333101907 885455966 /nfs/dbraw/zinc/45/59/66/885455966.db2.gz XPCYKCROYWDUPH-IRCOFANPSA-N 0 3 261.318 -1.420 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)c1cc[nH]n1 ZINC001333205517 885462771 /nfs/dbraw/zinc/46/27/71/885462771.db2.gz HIUCUZIWBAWIFN-UHFFFAOYSA-N 0 3 283.332 -1.166 20 0 CAADHN C[C@@H](O)[C@H](O)CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC001333155670 885460494 /nfs/dbraw/zinc/46/04/94/885460494.db2.gz CWPDSNBUXAFYCO-RKDXNWHRSA-N 0 3 271.317 -1.256 20 0 CAADHN O=C(C[C@H]1CNCCO1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001333354293 885475009 /nfs/dbraw/zinc/47/50/09/885475009.db2.gz MEVKDLQXCNJBEO-KXUCPTDWSA-N 0 3 254.286 -1.004 20 0 CAADHN O=C(CO[C@H]1CCOC1)N1CCOC2(CNC2)C1 ZINC001333671530 885500123 /nfs/dbraw/zinc/50/01/23/885500123.db2.gz JAJMJFYJIYOWHT-JTQLQIEISA-N 0 3 256.302 -1.007 20 0 CAADHN CN(C)C1(CNC(=O)C(=O)Nc2cn(C)nn2)CC1 ZINC001334104472 885525670 /nfs/dbraw/zinc/52/56/70/885525670.db2.gz DBVCHJMFGWRQBS-UHFFFAOYSA-N 0 3 266.305 -1.036 20 0 CAADHN CN(CCNC(=O)[C@H]1CCC(=O)N1)CCOCCO ZINC001334319619 885535066 /nfs/dbraw/zinc/53/50/66/885535066.db2.gz JEZPQBGHTAGJAV-SNVBAGLBSA-N 0 3 273.333 -1.678 20 0 CAADHN COC(=O)[C@H](O)C1CCN(C[C@@H](O)[C@H](C)O)CC1 ZINC001334624751 885552273 /nfs/dbraw/zinc/55/22/73/885552273.db2.gz GALPALNICAVVQN-JMJZKYOTSA-N 0 3 261.318 -1.026 20 0 CAADHN NCC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC001334906744 885566730 /nfs/dbraw/zinc/56/67/30/885566730.db2.gz WMDHQLIJTFZTPA-UHFFFAOYSA-N 0 3 282.300 -2.235 20 0 CAADHN C[C@](O)(CNC[C@@H](O)CS(C)(=O)=O)C(F)F ZINC001335320616 885609598 /nfs/dbraw/zinc/60/95/98/885609598.db2.gz XVOQKMYVDCXGFO-SVRRBLITSA-N 0 3 261.290 -1.002 20 0 CAADHN CN1C(=O)CC[C@H](NC[C@@H](O)C2(O)CCOCC2)C1=O ZINC001335303988 885610069 /nfs/dbraw/zinc/61/00/69/885610069.db2.gz MHCHXNJZSYBNEA-VHSXEESVSA-N 0 3 286.328 -1.374 20 0 CAADHN CCN(OC)C(=O)CNC[C@H](O)C[C@]1(O)CCOC1 ZINC001335467670 885621174 /nfs/dbraw/zinc/62/11/74/885621174.db2.gz AHLWQJXIAHOVBE-ZYHUDNBSSA-N 0 3 276.333 -1.112 20 0 CAADHN O=C(N[C@@H]1CNOC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001335660614 885627387 /nfs/dbraw/zinc/62/73/87/885627387.db2.gz JNJBHKIODKRHDH-KXUCPTDWSA-N 0 3 256.306 -1.650 20 0 CAADHN CN1CC[C@H](NC[C@H](O)C[C@]2(O)CCOC2)C1=O ZINC001336294258 885655490 /nfs/dbraw/zinc/65/54/90/885655490.db2.gz HZKHEMSQZDBNBY-JFGNBEQYSA-N 0 3 258.318 -1.291 20 0 CAADHN COC[C@@H](C)NC(=O)C(=O)N1CCNCCNCC1 ZINC001336570620 885665742 /nfs/dbraw/zinc/66/57/42/885665742.db2.gz BUXSYNPMGRTVCH-SNVBAGLBSA-N 0 3 272.349 -1.841 20 0 CAADHN C[C@H]1CCOCCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC001336587010 885667761 /nfs/dbraw/zinc/66/77/61/885667761.db2.gz DROCHIKVIVQHLR-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@@H]1CCOCCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001336587008 885668775 /nfs/dbraw/zinc/66/87/75/885668775.db2.gz DROCHIKVIVQHLR-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@H](CNC(=O)N1CCNCCNCC1)S(C)(=O)=O ZINC001336862884 885685367 /nfs/dbraw/zinc/68/53/67/885685367.db2.gz FZKNRPQIGLOCSV-SNVBAGLBSA-N 0 3 292.405 -1.376 20 0 CAADHN C[C@@H](NC[C@H](C)O)C(=O)N1CCS(=O)(=O)CC1 ZINC001336771525 885682774 /nfs/dbraw/zinc/68/27/74/885682774.db2.gz AFJLFHZVGROSRC-DTWKUNHWSA-N 0 3 264.347 -1.398 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)C(N)=O)N(C)C ZINC001338594559 885749878 /nfs/dbraw/zinc/74/98/78/885749878.db2.gz HRZFERXSSZEFKG-IUCAKERBSA-N 0 3 288.348 -2.253 20 0 CAADHN COC(=O)[C@H](NC(=O)[C@@H]1CNCCN1C)C1CC1 ZINC001339968477 885785123 /nfs/dbraw/zinc/78/51/23/885785123.db2.gz HTBGCWYYWDHLNS-VHSXEESVSA-N 0 3 255.318 -1.042 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H]2CNCCO2)NCC1=O ZINC001340471145 885802574 /nfs/dbraw/zinc/80/25/74/885802574.db2.gz HOYCBIMGQJWGDZ-DTWKUNHWSA-N 0 3 256.306 -2.479 20 0 CAADHN C[C@@]1(C(=O)N[C@@H]2COC3(CNC3)C2)CCC(=O)N1 ZINC001340614870 885804721 /nfs/dbraw/zinc/80/47/21/885804721.db2.gz LEGONKXJCOZPNX-KWQFWETISA-N 0 3 253.302 -1.098 20 0 CAADHN CC1N=NC(=S)N1CCNC(=O)[C@H]1CNCCN1C ZINC001340727377 885811960 /nfs/dbraw/zinc/81/19/60/885811960.db2.gz QIWLEFOOFBYHED-SECBINFHSA-N 0 3 284.389 -1.105 20 0 CAADHN CONC(=O)C1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC001340823320 885815358 /nfs/dbraw/zinc/81/53/58/885815358.db2.gz LDBOANYHFIGHLO-NSHDSACASA-N 0 3 284.360 -1.194 20 0 CAADHN Cn1cc(C(=O)N2CCOC3(CNC3)C2)n(C)c1=O ZINC001340808602 885817924 /nfs/dbraw/zinc/81/79/24/885817924.db2.gz RZCWUDJDKPAWSZ-UHFFFAOYSA-N 0 3 266.301 -1.462 20 0 CAADHN CNC(=O)NC(=O)CCN1CC[C@@H](NC(N)=O)C1 ZINC001341310309 885834407 /nfs/dbraw/zinc/83/44/07/885834407.db2.gz PFVNFAISSLFNKI-SSDOTTSWSA-N 0 3 257.294 -1.425 20 0 CAADHN CN1CCN(C)[C@@H](CNC(=O)[C@@H](N)C(C)(C)O)C1 ZINC001341735051 885855022 /nfs/dbraw/zinc/85/50/22/885855022.db2.gz ZWEONAMNGHIOED-VHSXEESVSA-N 0 3 258.366 -1.553 20 0 CAADHN CN1CCNC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001341568006 885845296 /nfs/dbraw/zinc/84/52/96/885845296.db2.gz UHMLFEBNALBKTO-KOLCDFICSA-N 0 3 266.345 -1.231 20 0 CAADHN O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1CCCNC1=O ZINC001342215540 885874777 /nfs/dbraw/zinc/87/47/77/885874777.db2.gz MDBZQCZWQQUIJV-DTWKUNHWSA-N 0 3 253.302 -1.240 20 0 CAADHN CCn1ncc(CNC(=O)[C@@H]2CNCCN2C)n1 ZINC001342200035 885877524 /nfs/dbraw/zinc/87/75/24/885877524.db2.gz UIHHPDFRGUZJHM-JTQLQIEISA-N 0 3 252.322 -1.182 20 0 CAADHN CN1CCO[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C1=O ZINC001342167632 885876323 /nfs/dbraw/zinc/87/63/23/885876323.db2.gz ZDOHHRJRYOLWFP-HLTSFMKQSA-N 0 3 259.281 -1.259 20 0 CAADHN CC[C@@H](N)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC001342989971 885904247 /nfs/dbraw/zinc/90/42/47/885904247.db2.gz NOSKTHTZHIKFNJ-RKDXNWHRSA-N 0 3 264.347 -1.004 20 0 CAADHN O=C([C@@H]1CCCS1(=O)=O)N1CCNCCNCC1 ZINC001342621251 885894527 /nfs/dbraw/zinc/89/45/27/885894527.db2.gz FXRCJQMTXLWANV-JTQLQIEISA-N 0 3 275.374 -1.415 20 0 CAADHN C[C@H](NC1CC1)C(=O)NC[C@H](O)CS(C)(=O)=O ZINC001342611208 885895116 /nfs/dbraw/zinc/89/51/16/885895116.db2.gz KYJUKCJAUQMIQS-CBAPKCEASA-N 0 3 264.347 -1.351 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCCCN1C(=O)CCC1=O ZINC001343248017 885907770 /nfs/dbraw/zinc/90/77/70/885907770.db2.gz KDFGSUCZNZAOMV-SNVBAGLBSA-N 0 3 282.344 -1.455 20 0 CAADHN Cn1nccc1[C@@H](O)CNC(=O)C[C@@H]1CNCCO1 ZINC001345233748 885958134 /nfs/dbraw/zinc/95/81/34/885958134.db2.gz ZXJAWXXZSQRLTD-KOLCDFICSA-N 0 3 268.317 -1.052 20 0 CAADHN CCS(=O)(=O)CCNC[C@H](O)C[C@]1(O)CCOC1 ZINC001345183407 885958229 /nfs/dbraw/zinc/95/82/29/885958229.db2.gz PHCNEHKZDZCMNH-GHMZBOCLSA-N 0 3 281.374 -1.087 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC[C@H](O)C[C@]1(O)CCOC1 ZINC001345195005 885958881 /nfs/dbraw/zinc/95/88/81/885958881.db2.gz HGMMVDYKLBNWON-CKYFFXLPSA-N 0 3 276.333 -1.113 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2CCOC2=O)C1 ZINC001347832877 886054242 /nfs/dbraw/zinc/05/42/42/886054242.db2.gz CJSSZNMARWSNEU-GZMMTYOYSA-N 0 3 257.290 -1.332 20 0 CAADHN C[C@H]1CN2CCN1C[C@@H]2C(=O)NCc1nc[nH]n1 ZINC001348570858 886091833 /nfs/dbraw/zinc/09/18/33/886091833.db2.gz SKSNVCMGAARJIX-DTWKUNHWSA-N 0 3 250.306 -1.191 20 0 CAADHN CC(C)[C@@H](C(=O)NCCNC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001349430877 886128510 /nfs/dbraw/zinc/12/85/10/886128510.db2.gz IHLPICRZSBAYCR-ZJUUUORDSA-N 0 3 299.375 -1.514 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)c1nnn(C)n1)N(C)C ZINC001349384454 886124678 /nfs/dbraw/zinc/12/46/78/886124678.db2.gz WLHHLBFSXFLWMH-QMMMGPOBSA-N 0 3 283.336 -1.604 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)c1nnn(C)n1)N(C)C ZINC001349384389 886125583 /nfs/dbraw/zinc/12/55/83/886125583.db2.gz WLHHLBFSXFLWMH-MRVPVSSYSA-N 0 3 283.336 -1.604 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001349827004 886150788 /nfs/dbraw/zinc/15/07/88/886150788.db2.gz UCYHFSVSXQNJTC-DTWKUNHWSA-N 0 3 255.318 -1.225 20 0 CAADHN CC(C)N(C)CC(=O)NCCCNC(=O)C(N)=O ZINC001350170368 886160988 /nfs/dbraw/zinc/16/09/88/886160988.db2.gz DGRXRIZKSDCIRY-UHFFFAOYSA-N 0 3 258.322 -1.566 20 0 CAADHN Cn1cc(CCC(=O)NC[C@H]2CNCCO2)nn1 ZINC001350323251 886162683 /nfs/dbraw/zinc/16/26/83/886162683.db2.gz PLBHAFWQLIYMRA-SNVBAGLBSA-N 0 3 253.306 -1.148 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CC(F)C1 ZINC001350964885 886193609 /nfs/dbraw/zinc/19/36/09/886193609.db2.gz GIIIOXISRHXBIX-UHFFFAOYSA-N 0 3 258.297 -1.812 20 0 CAADHN CS(=O)(=O)C[C@H](O)CNc1ccncc1CO ZINC001352088081 886240031 /nfs/dbraw/zinc/24/00/31/886240031.db2.gz YLHPPYPLDNYSNX-SECBINFHSA-N 0 3 260.315 -1.187 20 0 CAADHN CC[C@@H](C(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1)N(C)C ZINC001352897667 886253444 /nfs/dbraw/zinc/25/34/44/886253444.db2.gz MADHRCSKIJENNU-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)N1CCOC2(CNC2)C1 ZINC001353068137 886260695 /nfs/dbraw/zinc/26/06/95/886260695.db2.gz LUYFXNLRSHOSMF-VIFPVBQESA-N 0 3 253.302 -1.287 20 0 CAADHN Cn1ccc(S(=O)(=O)N2CCNCCNCC2)n1 ZINC001354184761 886300011 /nfs/dbraw/zinc/30/00/11/886300011.db2.gz LZWCLMWQIMEMKE-UHFFFAOYSA-N 0 3 273.362 -1.396 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21)N(C)C ZINC001354126021 886300731 /nfs/dbraw/zinc/30/07/31/886300731.db2.gz PPKBTIZNOMZTSV-RGOKHQFPSA-N 0 3 282.344 -1.615 20 0 CAADHN CN1CCN(CCN2C(=O)N[C@H](CO)C2=O)CC1(C)C ZINC001354229680 886306699 /nfs/dbraw/zinc/30/66/99/886306699.db2.gz SGROVLXEMAOGKF-SNVBAGLBSA-N 0 3 284.360 -1.075 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](C)CNC(=O)CC(N)=O ZINC001354311477 886310793 /nfs/dbraw/zinc/31/07/93/886310793.db2.gz VEOOODZCDOOIAF-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CNCCN1C)c1nnnn1C ZINC001355863204 886347186 /nfs/dbraw/zinc/34/71/86/886347186.db2.gz HNOFJKAHMDBFGQ-YUMQZZPRSA-N 0 3 253.310 -1.709 20 0 CAADHN Cn1cc(NC(=O)C2CNCCS2(=O)=O)cn1 ZINC001356512851 886372348 /nfs/dbraw/zinc/37/23/48/886372348.db2.gz PLXSWRQVROJFDG-MRVPVSSYSA-N 0 3 258.303 -1.255 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)C(N)=O)C1)N(C)C ZINC001356778642 886380078 /nfs/dbraw/zinc/38/00/78/886380078.db2.gz PETXWUHQTMTHLN-QMMMGPOBSA-N 0 3 256.306 -1.861 20 0 CAADHN Cn1cnc(CNC(=O)C(=O)N2CCCNCC2)c1 ZINC001356488803 886365960 /nfs/dbraw/zinc/36/59/60/886365960.db2.gz AWUQEPIZFHVNDE-UHFFFAOYSA-N 0 3 265.317 -1.142 20 0 CAADHN CC(=O)NC[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001357361862 886400407 /nfs/dbraw/zinc/40/04/07/886400407.db2.gz OTCBMSNKVYYWMG-VIFPVBQESA-N 0 3 254.290 -1.126 20 0 CAADHN CCS(=O)(=O)NCCCNC(=O)[C@@H]1CNCCN1C ZINC001357227231 886395041 /nfs/dbraw/zinc/39/50/41/886395041.db2.gz OSUDHCPYTGJJPG-JTQLQIEISA-N 0 3 292.405 -1.664 20 0 CAADHN COCCNCC(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001358059889 886418019 /nfs/dbraw/zinc/41/80/19/886418019.db2.gz QJNGQJCYQQORFL-GFCCVEGCSA-N 0 3 255.318 -1.039 20 0 CAADHN CC(C)[C@@H](C(=O)NCC1(NC(=O)C(N)=O)CC1)N(C)C ZINC001358680790 886440507 /nfs/dbraw/zinc/44/05/07/886440507.db2.gz GPSDALHESMEVGI-VIFPVBQESA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)CC(N)=O ZINC001358480424 886427903 /nfs/dbraw/zinc/42/79/03/886427903.db2.gz AWBRYSKTRAAAEM-VIFPVBQESA-N 0 3 272.349 -1.177 20 0 CAADHN COCCN(C)CCNC(=O)CCCS(N)(=O)=O ZINC001361737141 886481960 /nfs/dbraw/zinc/48/19/60/886481960.db2.gz CPDJBZYCMQWWOF-UHFFFAOYSA-N 0 3 281.378 -1.251 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@@H](CO)NC(N)=O ZINC001362235840 886565115 /nfs/dbraw/zinc/56/51/15/886565115.db2.gz RWSASFCJMOSFKV-FKTZTGRPSA-N 0 3 270.333 -1.386 20 0 CAADHN CC[C@H](O)Cn1cc(C(=O)N[C@@H](CO)CN(C)C)nn1 ZINC001362420100 886609476 /nfs/dbraw/zinc/60/94/76/886609476.db2.gz ADJBGKHVYMPIJJ-ZJUUUORDSA-N 0 3 285.348 -1.299 20 0 CAADHN CC[C@H](O)Cn1cc(C(=O)N[C@H](CO)CN(C)C)nn1 ZINC001362420095 886610815 /nfs/dbraw/zinc/61/08/15/886610815.db2.gz ADJBGKHVYMPIJJ-UWVGGRQHSA-N 0 3 285.348 -1.299 20 0 CAADHN NC(=O)CSCC(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001362833033 886721967 /nfs/dbraw/zinc/72/19/67/886721967.db2.gz XJTJCRSYEAIXRM-VHSXEESVSA-N 0 3 287.385 -1.128 20 0 CAADHN C[C@H]1CN(C(=O)[C@@H](CO)NC(N)=O)CCN(C2CC2)C1 ZINC001362943934 886749312 /nfs/dbraw/zinc/74/93/12/886749312.db2.gz MDOJDGWSNHRVIH-MWLCHTKSSA-N 0 3 284.360 -1.042 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001363154758 886806630 /nfs/dbraw/zinc/80/66/30/886806630.db2.gz HFPGMQFAAOKOOV-AXFHLTTASA-N 0 3 287.360 -1.162 20 0 CAADHN COC(=O)[C@](C)(O)CN1CC[C@H](CNS(C)(=O)=O)C1 ZINC001363299560 886863037 /nfs/dbraw/zinc/86/30/37/886863037.db2.gz YCWAMVNMHGLNGF-MWLCHTKSSA-N 0 3 294.373 -1.219 20 0 CAADHN CCN1C[C@H](CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)OC1=O ZINC001363304064 886863397 /nfs/dbraw/zinc/86/33/97/886863397.db2.gz RAQLNWWOBXHPSX-DJLDLDEBSA-N 0 3 284.316 -1.654 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001363693049 886962833 /nfs/dbraw/zinc/96/28/33/886962833.db2.gz FSYNGYMXVYINBJ-SECBINFHSA-N 0 3 291.373 -1.533 20 0 CAADHN COC(=O)Cn1cc(CCN2C[C@@H](O)[C@H](CO)C2)nn1 ZINC001363787681 886981306 /nfs/dbraw/zinc/98/13/06/886981306.db2.gz JNTQMTWLNQPNSR-GXSJLCMTSA-N 0 3 284.316 -1.721 20 0 CAADHN CC(C)(O)[C@@H](O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001363820000 886991508 /nfs/dbraw/zinc/99/15/08/886991508.db2.gz RSWOFAVXOGCJQI-AXFHLTTASA-N 0 3 272.345 -1.214 20 0 CAADHN OCC1(CO)CCN(C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001364490266 887094922 /nfs/dbraw/zinc/09/49/22/887094922.db2.gz BCJABQNEZMIEBT-GXTWGEPZSA-N 0 3 289.372 -1.044 20 0 CAADHN CNC(=O)N[C@H]1CCN(C[C@H](O)C2(O)CCOCC2)C1 ZINC001364384849 887075643 /nfs/dbraw/zinc/07/56/43/887075643.db2.gz ISBVLMYFBFFYFT-QWRGUYRKSA-N 0 3 287.360 -1.108 20 0 CAADHN C[C@H](O)c1cn(CC(=O)NCCN(C)CCO)nn1 ZINC001364835972 887143224 /nfs/dbraw/zinc/14/32/24/887143224.db2.gz NVOBRBPXFUUWAU-VIFPVBQESA-N 0 3 271.321 -1.628 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC001366255583 887280509 /nfs/dbraw/zinc/28/05/09/887280509.db2.gz KXMUSVYOPSBDJW-IUCAKERBSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCn1cncn1 ZINC001366254198 887280541 /nfs/dbraw/zinc/28/05/41/887280541.db2.gz CZZFTIQPLODQFT-ZJUUUORDSA-N 0 3 282.348 -1.103 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001366253858 887281077 /nfs/dbraw/zinc/28/10/77/887281077.db2.gz BJKQKAORNIWMLX-NXEZZACHSA-N 0 3 284.360 -1.116 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001366261965 887281161 /nfs/dbraw/zinc/28/11/61/887281161.db2.gz SQEYZSJOAUTUSQ-VIFPVBQESA-N 0 3 272.349 -1.353 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001366269022 887282073 /nfs/dbraw/zinc/28/20/73/887282073.db2.gz MGNHLKJPOWRQBZ-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(=O)N(C)C ZINC001366284605 887285237 /nfs/dbraw/zinc/28/52/37/887285237.db2.gz RLRPXKPVSDMVJU-VHSXEESVSA-N 0 3 284.360 -1.353 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CNC(=O)NC)C(N)=O ZINC001366291141 887287339 /nfs/dbraw/zinc/28/73/39/887287339.db2.gz YYLHABPOWRHWGK-HTQZYQBOSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N[C@@H](C)C(N)=O ZINC001366304845 887289720 /nfs/dbraw/zinc/28/97/20/887289720.db2.gz QTRHUWURCSHNFF-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)N[C@@H](C)C(N)=O ZINC001366310074 887292679 /nfs/dbraw/zinc/29/26/79/887292679.db2.gz PHYDZXXZVYTQIC-UWVGGRQHSA-N 0 3 299.375 -2.272 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)N[C@H]1CCN(C)C1=O ZINC001366373546 887294061 /nfs/dbraw/zinc/29/40/61/887294061.db2.gz PJQSPKCCTAFQAM-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCN(C)C1=O ZINC001366269015 887279166 /nfs/dbraw/zinc/27/91/66/887279166.db2.gz MGNHLKJPOWRQBZ-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)c1cccn1C)NCC(=O)NC(N)=O ZINC001366258366 887279292 /nfs/dbraw/zinc/27/92/92/887279292.db2.gz NTNZSPUUHILCFT-MRVPVSSYSA-N 0 3 281.316 -1.072 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001366261961 887279323 /nfs/dbraw/zinc/27/93/23/887279323.db2.gz SQEYZSJOAUTUSQ-SECBINFHSA-N 0 3 272.349 -1.353 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)Cn1cncn1 ZINC001366586078 887315390 /nfs/dbraw/zinc/31/53/90/887315390.db2.gz MVHUBYJFHHQNOK-JTQLQIEISA-N 0 3 271.321 -1.667 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001366597275 887320097 /nfs/dbraw/zinc/32/00/97/887320097.db2.gz ZATFRVMCMMTWKH-ZJUUUORDSA-N 0 3 272.349 -1.042 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCNC(=O)Cc1n[nH]c(C)n1 ZINC001366529357 887307365 /nfs/dbraw/zinc/30/73/65/887307365.db2.gz JUTMXTQDWXEGAS-VIFPVBQESA-N 0 3 282.348 -1.032 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ncn(C)n1)C(=O)N(C)C ZINC001366769693 887333432 /nfs/dbraw/zinc/33/34/32/887333432.db2.gz NWZYVTZKQHTOTI-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H](C)NC(C)=O)C(N)=O ZINC001366758509 887333467 /nfs/dbraw/zinc/33/34/67/887333467.db2.gz CNVVUOMHGLEHGH-WPRPVWTQSA-N 0 3 272.349 -1.177 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001366770764 887334057 /nfs/dbraw/zinc/33/40/57/887334057.db2.gz BNXPAMVLYLJZMA-UWVGGRQHSA-N 0 3 282.344 -1.456 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001366760013 887335592 /nfs/dbraw/zinc/33/55/92/887335592.db2.gz IBLNRHRVPDCIJZ-QWRGUYRKSA-N 0 3 284.360 -1.747 20 0 CAADHN CCCNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001366778897 887336694 /nfs/dbraw/zinc/33/66/94/887336694.db2.gz VXMJLSNHPFEGND-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CCN(CCNC(=O)c1cnn(C)n1)C[C@H](O)COC ZINC001366633160 887321313 /nfs/dbraw/zinc/32/13/13/887321313.db2.gz JEKOCLGZMDHEGB-JTQLQIEISA-N 0 3 285.348 -1.126 20 0 CAADHN C[C@H](O)CCCN1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001366975921 887357469 /nfs/dbraw/zinc/35/74/69/887357469.db2.gz LVTPVNUHOVQPTF-GXSJLCMTSA-N 0 3 284.360 -1.123 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@H]1CCN(CCO)C1 ZINC001367014835 887361742 /nfs/dbraw/zinc/36/17/42/887361742.db2.gz UTYHXCLCACSUGU-VIFPVBQESA-N 0 3 279.362 -1.892 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001367031179 887362147 /nfs/dbraw/zinc/36/21/47/887362147.db2.gz VNQVGXMOKPJUTH-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ccon1 ZINC001367353849 887381562 /nfs/dbraw/zinc/38/15/62/887381562.db2.gz YMMASHIWYHJZKE-ZETCQYMHSA-N 0 3 283.288 -1.080 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)CNC(=O)NC ZINC001367358941 887381586 /nfs/dbraw/zinc/38/15/86/887381586.db2.gz NJAOCYHVHCMWBW-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001367030954 887363374 /nfs/dbraw/zinc/36/33/74/887363374.db2.gz KEHHXOWQVWFBRJ-MRVPVSSYSA-N 0 3 280.350 -2.777 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)Cn1ncnn1 ZINC001367096783 887365668 /nfs/dbraw/zinc/36/56/68/887365668.db2.gz SBLOQFPYAWSZRG-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN CN(C(=O)CCNS(C)(=O)=O)[C@H]1CCN(CCO)C1 ZINC001367049852 887366588 /nfs/dbraw/zinc/36/65/88/887366588.db2.gz XTSMQEJIBWFUAM-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)CNC(C)=O ZINC001367500734 887387377 /nfs/dbraw/zinc/38/73/77/887387377.db2.gz HYEUTTLCQJMYOO-LLVKDONJSA-N 0 3 275.349 -1.480 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CC[C@H]1CCCO1 ZINC001367568981 887390016 /nfs/dbraw/zinc/39/00/16/887390016.db2.gz PFJMRUKWOGQZDW-VHSXEESVSA-N 0 3 273.333 -1.502 20 0 CAADHN CCCC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC(=O)NC ZINC001367560737 887390565 /nfs/dbraw/zinc/39/05/65/887390565.db2.gz BXXPXSLBOQIGAF-IUCAKERBSA-N 0 3 288.348 -1.303 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cn1cccn1)C(N)=O ZINC001367572714 887393857 /nfs/dbraw/zinc/39/38/57/887393857.db2.gz ZGFZOICLVHWULC-VHSXEESVSA-N 0 3 283.332 -1.786 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCO1 ZINC001367575358 887396373 /nfs/dbraw/zinc/39/63/73/887396373.db2.gz QHQNNXYDOCZPCU-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001367585299 887403671 /nfs/dbraw/zinc/40/36/71/887403671.db2.gz FKBRAQLITVIRBP-RKDXNWHRSA-N 0 3 286.332 -2.532 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1n[nH]cc1F)C(N)=O ZINC001367607593 887408331 /nfs/dbraw/zinc/40/83/31/887408331.db2.gz IHZLBZUYHNIPAS-NTSWFWBYSA-N 0 3 273.268 -1.897 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001367747651 887432237 /nfs/dbraw/zinc/43/22/37/887432237.db2.gz TWYVVGXHKFXTGF-QMMMGPOBSA-N 0 3 284.320 -2.449 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1COCCO1 ZINC001367643253 887415943 /nfs/dbraw/zinc/41/59/43/887415943.db2.gz OBNBJOGUUQLOMP-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1COCCO1 ZINC001367643247 887416108 /nfs/dbraw/zinc/41/61/08/887416108.db2.gz OBNBJOGUUQLOMP-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CC(C)[C@@H](O)C(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001367671761 887419283 /nfs/dbraw/zinc/41/92/83/887419283.db2.gz LFKLOEBUGJEDAQ-PSASIEDQSA-N 0 3 285.348 -1.280 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)[C@H](C)NC(N)=O ZINC001367667496 887419296 /nfs/dbraw/zinc/41/92/96/887419296.db2.gz ZYGGFNNJTBTGIY-VGMNWLOBSA-N 0 3 287.364 -1.386 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCn1cncn1 ZINC001367654149 887419720 /nfs/dbraw/zinc/41/97/20/887419720.db2.gz FJGCMFQLWFUBCQ-NXEZZACHSA-N 0 3 282.348 -1.103 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001367688417 887422943 /nfs/dbraw/zinc/42/29/43/887422943.db2.gz FKDADARVNOJOLS-UTLUCORTSA-N 0 3 284.360 -1.164 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCCC(=O)N1C ZINC001367708026 887423566 /nfs/dbraw/zinc/42/35/66/887423566.db2.gz SPUXNMPJAYUYLF-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@@H](NC1(CNC(=O)c2nnn(C)n2)CC1)C(N)=O ZINC001368018263 887450462 /nfs/dbraw/zinc/45/04/62/887450462.db2.gz ZVJYPOZFAWCNKX-SSDOTTSWSA-N 0 3 281.320 -1.674 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001367814791 887433884 /nfs/dbraw/zinc/43/38/84/887433884.db2.gz CPJJTKBVNBYWLF-SECBINFHSA-N 0 3 284.316 -1.622 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001367799722 887434193 /nfs/dbraw/zinc/43/41/93/887434193.db2.gz JAAAUHHPGOUQJZ-LPEHRKFASA-N 0 3 290.364 -1.513 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CN1CCOCC1=O ZINC001367807370 887434789 /nfs/dbraw/zinc/43/47/89/887434789.db2.gz VVTKECYEXWXGFR-SNVBAGLBSA-N 0 3 273.333 -1.726 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001367908173 887438730 /nfs/dbraw/zinc/43/87/30/887438730.db2.gz ZMUNFXNUZYITLB-CBAPKCEASA-N 0 3 270.333 -1.532 20 0 CAADHN COCC(=O)N1CCC(O)(CN[C@H](C)C(N)=O)CC1 ZINC001368678900 887498023 /nfs/dbraw/zinc/49/80/23/887498023.db2.gz SMYQRRFOWMWXAB-SECBINFHSA-N 0 3 273.333 -1.550 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001368870275 887505332 /nfs/dbraw/zinc/50/53/32/887505332.db2.gz QUWDUMPAUKPFLF-SFYZADRCSA-N 0 3 283.332 -1.032 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001368985479 887510001 /nfs/dbraw/zinc/51/00/01/887510001.db2.gz QTSYJKIABDOKDN-RKDXNWHRSA-N 0 3 286.336 -1.733 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)N(C)CCO ZINC001368987083 887510459 /nfs/dbraw/zinc/51/04/59/887510459.db2.gz WMVBRQYGOJEDEE-DTWKUNHWSA-N 0 3 281.378 -1.647 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCCO1)NCC(=O)NC(N)=O ZINC001369236505 887524243 /nfs/dbraw/zinc/52/42/43/887524243.db2.gz OXLUYZTXJJYSOQ-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CN1CCCC1=O ZINC001369222504 887525497 /nfs/dbraw/zinc/52/54/97/887525497.db2.gz FDBSZKPIBYMDOK-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001369280110 887527433 /nfs/dbraw/zinc/52/74/33/887527433.db2.gz QAGZRWKQPDHRCV-JGVFFNPUSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@@H](CC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1)NC(N)=O ZINC001369442483 887566770 /nfs/dbraw/zinc/56/67/70/887566770.db2.gz RJONQXRBCVYSSU-IUCAKERBSA-N 0 3 299.375 -1.255 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)CC(C)(C)O)C(N)=O ZINC001369456089 887567768 /nfs/dbraw/zinc/56/77/68/887567768.db2.gz NPXADNWVRXSITO-NXEZZACHSA-N 0 3 289.376 -1.180 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001369511721 887580882 /nfs/dbraw/zinc/58/08/82/887580882.db2.gz VGPNCUXKUBMADZ-SECBINFHSA-N 0 3 271.321 -1.828 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001369506007 887582394 /nfs/dbraw/zinc/58/23/94/887582394.db2.gz IMIDITCAGZJOPO-MRVPVSSYSA-N 0 3 274.296 -1.094 20 0 CAADHN CC[C@H](C(=O)NCCN1CCN(CC(N)=O)CC1)N(C)C ZINC001369901450 887594682 /nfs/dbraw/zinc/59/46/82/887594682.db2.gz SJCKRVUMSZJIIH-GFCCVEGCSA-N 0 3 299.419 -1.454 20 0 CAADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001370012685 887600016 /nfs/dbraw/zinc/60/00/16/887600016.db2.gz DVZMPRQRQVMBJE-SECBINFHSA-N 0 3 279.362 -1.762 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](N[C@H](C)C(N)=O)C1CC1 ZINC001370149595 887602486 /nfs/dbraw/zinc/60/24/86/887602486.db2.gz NHILNWMDVZJWMT-PSASIEDQSA-N 0 3 284.360 -1.129 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)NC1=O ZINC001370216281 887603655 /nfs/dbraw/zinc/60/36/55/887603655.db2.gz SAOZQNYFUNIHRD-RKDXNWHRSA-N 0 3 283.332 -2.020 20 0 CAADHN C[C@H](C(=O)N(C)C1CC(NCC(N)=O)C1)S(C)(=O)=O ZINC001369581789 887585914 /nfs/dbraw/zinc/58/59/14/887585914.db2.gz JJUZQGWBKMLQHI-AFPNSQJFSA-N 0 3 291.373 -1.516 20 0 CAADHN CC[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)COC)N(C)C ZINC001371006227 887646202 /nfs/dbraw/zinc/64/62/02/887646202.db2.gz XEDZPTFAFMKAHD-MNOVXSKESA-N 0 3 289.376 -1.092 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)NCC(=O)NCC1CC1 ZINC001371096860 887648221 /nfs/dbraw/zinc/64/82/21/887648221.db2.gz XYDVKDYGEWOGHL-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001371130295 887648461 /nfs/dbraw/zinc/64/84/61/887648461.db2.gz SIAOFJQFZGDOCU-JGVFFNPUSA-N 0 3 279.362 -1.611 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001371361769 887656349 /nfs/dbraw/zinc/65/63/49/887656349.db2.gz HAFLEFAMEYMVPS-BBBLOLIVSA-N 0 3 284.360 -1.273 20 0 CAADHN COC[C@H](C)CC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001371404007 887659393 /nfs/dbraw/zinc/65/93/93/887659393.db2.gz MRJCKEVXHOQMQA-RKDXNWHRSA-N 0 3 288.348 -1.052 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)NCC(=O)NC1CC1 ZINC001371175877 887650960 /nfs/dbraw/zinc/65/09/60/887650960.db2.gz ZZWLWPIZQPKOAY-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)N(C)C ZINC001371173204 887652989 /nfs/dbraw/zinc/65/29/89/887652989.db2.gz XZWOUHUHEIUVCL-JGVFFNPUSA-N 0 3 272.305 -1.723 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)Cc1nnc(C)o1 ZINC001371964613 887678115 /nfs/dbraw/zinc/67/81/15/887678115.db2.gz LSPUJGPXBMVQQT-JTQLQIEISA-N 0 3 286.332 -1.024 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001371938733 887679232 /nfs/dbraw/zinc/67/92/32/887679232.db2.gz IFFDNJIHRBIYOB-NWDGAFQWSA-N 0 3 289.376 -1.628 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN1CCN(C)C(=O)C1)C(N)=O ZINC001372937901 887714826 /nfs/dbraw/zinc/71/48/26/887714826.db2.gz QKMFRUXGQUUHDT-SNVBAGLBSA-N 0 3 299.375 -2.318 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001372964693 887719165 /nfs/dbraw/zinc/71/91/65/887719165.db2.gz BNESRWLUGUBRTL-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001372947451 887721167 /nfs/dbraw/zinc/72/11/67/887721167.db2.gz XTRFBZSLQUBKGQ-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCCN(CCO)C1CC1 ZINC001372857726 887710911 /nfs/dbraw/zinc/71/09/11/887710911.db2.gz JIDJJCLMSIIGLC-SECBINFHSA-N 0 3 293.389 -1.503 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)Cn1ncnn1 ZINC001374348016 887785214 /nfs/dbraw/zinc/78/52/14/887785214.db2.gz SGZWIFPNRZQMTE-SECBINFHSA-N 0 3 283.336 -1.721 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001374315857 887787219 /nfs/dbraw/zinc/78/72/19/887787219.db2.gz XLZWOPXZHUNTIQ-ZJUUUORDSA-N 0 3 299.375 -1.159 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnsn1)C(N)=O ZINC001374589765 887805818 /nfs/dbraw/zinc/80/58/18/887805818.db2.gz YWDPTCFDIPIPQS-NTSWFWBYSA-N 0 3 273.318 -1.908 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cscn1 ZINC001374588588 887805840 /nfs/dbraw/zinc/80/58/40/887805840.db2.gz FVHQOHBSXNDSOV-ZETCQYMHSA-N 0 3 272.330 -1.431 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ocnc1C)C(N)=O ZINC001374594574 887808321 /nfs/dbraw/zinc/80/83/21/887808321.db2.gz JPQDNEVBEHKTCO-BDAKNGLRSA-N 0 3 284.316 -1.073 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)CC(C)(C)O ZINC001374604253 887811542 /nfs/dbraw/zinc/81/15/42/887811542.db2.gz YVTLDNUZXMPDII-VIFPVBQESA-N 0 3 275.349 -1.650 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccns1 ZINC001374612900 887812572 /nfs/dbraw/zinc/81/25/72/887812572.db2.gz RKZPZDIDDFADHZ-QMMMGPOBSA-N 0 3 286.357 -1.088 20 0 CAADHN O=C(CCC(F)F)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001374629464 887817668 /nfs/dbraw/zinc/81/76/68/887817668.db2.gz JYBCXAUERIZCBW-JGVFFNPUSA-N 0 3 279.287 -1.013 20 0 CAADHN CC(C)CC(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001374574046 887794762 /nfs/dbraw/zinc/79/47/62/887794762.db2.gz AVTNLDUMVADUAB-DTWKUNHWSA-N 0 3 288.348 -1.317 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001374577958 887796496 /nfs/dbraw/zinc/79/64/96/887796496.db2.gz TTZYEXPHQZAACE-PSASIEDQSA-N 0 3 288.348 -2.286 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C(C)C ZINC001374572317 887797757 /nfs/dbraw/zinc/79/77/57/887797757.db2.gz SXBZQFYRTPUZTK-WDEREUQCSA-N 0 3 289.376 -1.045 20 0 CAADHN CC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001374656279 887824578 /nfs/dbraw/zinc/82/45/78/887824578.db2.gz YNHBSYGLORAWBL-IWSPIJDZSA-N 0 3 286.332 -1.706 20 0 CAADHN CCC1(C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)CC1 ZINC001374647005 887824883 /nfs/dbraw/zinc/82/48/83/887824883.db2.gz VORAFPRXWYUVBR-MRVPVSSYSA-N 0 3 286.332 -1.562 20 0 CAADHN Cc1ccc(CC(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001374682473 887834215 /nfs/dbraw/zinc/83/42/15/887834215.db2.gz HEWPWVTUYPENPH-NSHDSACASA-N 0 3 280.328 -1.515 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCO1 ZINC001374726977 887835960 /nfs/dbraw/zinc/83/59/60/887835960.db2.gz QMHYXYIWSWSWFP-RKDXNWHRSA-N 0 3 286.332 -1.285 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001374752236 887840290 /nfs/dbraw/zinc/84/02/90/887840290.db2.gz CHFURQKOHBRLTI-HTQZYQBOSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001374926164 887852770 /nfs/dbraw/zinc/85/27/70/887852770.db2.gz DYKXGUQHYAWRRI-UFBFGSQYSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CS(=O)(=O)NC)C(N)=O ZINC001374977478 887854670 /nfs/dbraw/zinc/85/46/70/887854670.db2.gz ALQBHZABSBKORG-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1COCCO1 ZINC001374865997 887846511 /nfs/dbraw/zinc/84/65/11/887846511.db2.gz CTNXZAINLADZMF-VHSXEESVSA-N 0 3 273.333 -1.368 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)COCC ZINC001374862443 887847538 /nfs/dbraw/zinc/84/75/38/887847538.db2.gz DRIAECRMOZVKJB-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)CNCC(N)=O ZINC001374839155 887849380 /nfs/dbraw/zinc/84/93/80/887849380.db2.gz AQWAHCYYJTUCTQ-HTQZYQBOSA-N 0 3 273.337 -1.597 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc(=O)n(C)c1 ZINC001374906776 887850747 /nfs/dbraw/zinc/85/07/47/887850747.db2.gz SFNCGZBDBOLMJH-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001374922073 887850865 /nfs/dbraw/zinc/85/08/65/887850865.db2.gz LRWNCOUJZYGGLD-VIFPVBQESA-N 0 3 285.348 -2.742 20 0 CAADHN CC(C)N1CCN(CCNC(=O)c2nnn(C)n2)CC1 ZINC001376101385 887902145 /nfs/dbraw/zinc/90/21/45/887902145.db2.gz WXEOVYHLJKWHMX-UHFFFAOYSA-N 0 3 281.364 -1.034 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001376261524 887918612 /nfs/dbraw/zinc/91/86/12/887918612.db2.gz WVZLTZUCDGXKAS-WDEREUQCSA-N 0 3 284.360 -1.129 20 0 CAADHN CO[C@@H](C)C(=O)N(CCO)CCN[C@H](C)C(=O)N(C)C ZINC001376533825 887938140 /nfs/dbraw/zinc/93/81/40/887938140.db2.gz CQJPUSVMBNJZRW-MNOVXSKESA-N 0 3 289.376 -1.092 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC1CC1 ZINC001376672693 887949564 /nfs/dbraw/zinc/94/95/64/887949564.db2.gz BPRZBTRPDKXRJZ-BDAKNGLRSA-N 0 3 284.360 -1.116 20 0 CAADHN COC[C@H](C)NC(=O)NC(=O)CN[C@H](C)CNC(C)=O ZINC001376681739 887949572 /nfs/dbraw/zinc/94/95/72/887949572.db2.gz OMLJJCOKEWWMRJ-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN COC[C@@H](C)NC(=O)NC(=O)CN[C@H](C)CNC(C)=O ZINC001376681748 887949855 /nfs/dbraw/zinc/94/98/55/887949855.db2.gz OMLJJCOKEWWMRJ-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1)N[C@@H]1CCNC1=O ZINC001376708990 887953172 /nfs/dbraw/zinc/95/31/72/887953172.db2.gz GAOODWWEDOIIGA-WDEREUQCSA-N 0 3 284.360 -1.699 20 0 CAADHN C[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)NCC(N)=O ZINC001376764272 887955812 /nfs/dbraw/zinc/95/58/12/887955812.db2.gz OPQKJJQAEMBJPW-PELKAZGASA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CN1CCCS1(=O)=O ZINC001377163102 887979240 /nfs/dbraw/zinc/97/92/40/887979240.db2.gz MBXRQYRQOWZVIK-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)Cc1nnc(C)o1 ZINC001377177087 887984077 /nfs/dbraw/zinc/98/40/77/887984077.db2.gz LSPUJGPXBMVQQT-SNVBAGLBSA-N 0 3 286.332 -1.024 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@H](C)C(=O)NC ZINC001377575635 888003556 /nfs/dbraw/zinc/00/35/56/888003556.db2.gz DUQFIPWXPTWQOS-MRVPVSSYSA-N 0 3 273.337 -1.902 20 0 CAADHN CCCN(C)CC(=O)NCC1CN(CC(=O)NC(N)=O)C1 ZINC001378016887 888029179 /nfs/dbraw/zinc/02/91/79/888029179.db2.gz UOCJAWYAEJLRMR-UHFFFAOYSA-N 0 3 299.375 -1.429 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnccn1)C(N)=O ZINC001379165820 888092545 /nfs/dbraw/zinc/09/25/45/888092545.db2.gz DNPPSGKJUJAXHI-RKDXNWHRSA-N 0 3 281.316 -1.579 20 0 CAADHN CS(=O)(=O)CC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001379164386 888092592 /nfs/dbraw/zinc/09/25/92/888092592.db2.gz DRMQLNPUNMIIQS-SFYZADRCSA-N 0 3 293.345 -3.014 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cscn1 ZINC001379166822 888093520 /nfs/dbraw/zinc/09/35/20/888093520.db2.gz KSKKVBYBMZTJLV-SFYZADRCSA-N 0 3 284.341 -1.288 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001379191924 888096071 /nfs/dbraw/zinc/09/60/71/888096071.db2.gz USXWCJZUWKWULZ-IUCAKERBSA-N 0 3 286.332 -2.675 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccncc1F ZINC001379192090 888100311 /nfs/dbraw/zinc/10/03/11/888100311.db2.gz VMIUNXLEGGUANI-MRVPVSSYSA-N 0 3 284.291 -1.353 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CNCC(N)=O)CCCC1 ZINC001379204304 888106126 /nfs/dbraw/zinc/10/61/26/888106126.db2.gz DQFSZXVFBPVPJK-JTQLQIEISA-N 0 3 287.360 -1.255 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnn(C)n1)C(N)=O ZINC001379258253 888113741 /nfs/dbraw/zinc/11/37/41/888113741.db2.gz WRXFABLUNQFGEQ-JGVFFNPUSA-N 0 3 284.320 -2.241 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ncccn1)C(N)=O ZINC001379259069 888114964 /nfs/dbraw/zinc/11/49/64/888114964.db2.gz KKBGYFAUHIFSRO-BDAKNGLRSA-N 0 3 281.316 -1.579 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C(C)(C)NC(C)=O ZINC001379260381 888115314 /nfs/dbraw/zinc/11/53/14/888115314.db2.gz NCYTXPFUECCVGN-VIFPVBQESA-N 0 3 288.348 -2.286 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1COC(=O)N1 ZINC001379294735 888122369 /nfs/dbraw/zinc/12/23/69/888122369.db2.gz CSAXEWNJDCDBKP-SFYZADRCSA-N 0 3 272.305 -1.593 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)Cn1cnnn1)C(C)C ZINC001378937994 888072732 /nfs/dbraw/zinc/07/27/32/888072732.db2.gz BQFZKNWFXRMAPI-VIFPVBQESA-N 0 3 283.336 -1.851 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)CNC(=O)NC ZINC001379027202 888079338 /nfs/dbraw/zinc/07/93/38/888079338.db2.gz SCCMZWVBQKGFNC-JTQLQIEISA-N 0 3 299.375 -1.512 20 0 CAADHN C[C@H](CN(C)C(=O)c1cc(=O)n(C)cn1)NCC(N)=O ZINC001379139671 888086561 /nfs/dbraw/zinc/08/65/61/888086561.db2.gz WSQWTPJIJGMTPD-MRVPVSSYSA-N 0 3 281.316 -1.684 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CN1CCOCC1 ZINC001379091475 888086630 /nfs/dbraw/zinc/08/66/30/888086630.db2.gz GXDRWDPWOIDCNW-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)CC(C)C ZINC001379172622 888091449 /nfs/dbraw/zinc/09/14/49/888091449.db2.gz KPDOINJITDGEIG-VIFPVBQESA-N 0 3 288.348 -1.445 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCNC(N)=O ZINC001379458635 888146339 /nfs/dbraw/zinc/14/63/39/888146339.db2.gz KFZSWOAKLVSGTD-HTQZYQBOSA-N 0 3 273.337 -1.726 20 0 CAADHN CCCNC(=O)NC(=O)CNC[C@H](C)NC(=O)COC ZINC001379482148 888149396 /nfs/dbraw/zinc/14/93/96/888149396.db2.gz OOJIOLAOYADWQO-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H](C)OC ZINC001379494900 888152378 /nfs/dbraw/zinc/15/23/78/888152378.db2.gz NTWMXGXSIUENQB-JGVFFNPUSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCC(=O)N1 ZINC001379489374 888154549 /nfs/dbraw/zinc/15/45/49/888154549.db2.gz GYSDCJHHPOVAGD-DTWKUNHWSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1cncn1C ZINC001379522421 888161551 /nfs/dbraw/zinc/16/15/51/888161551.db2.gz SVXXMXSXOLHUBK-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCC(=O)N1C ZINC001379584023 888163654 /nfs/dbraw/zinc/16/36/54/888163654.db2.gz FJEQDUFRCKABGM-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCCC(N)=O ZINC001379605774 888168017 /nfs/dbraw/zinc/16/80/17/888168017.db2.gz LIOLNWGCWTTXED-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)Cn1ncnn1 ZINC001379353256 888127481 /nfs/dbraw/zinc/12/74/81/888127481.db2.gz DVQGCRSZTIGDRQ-RKDXNWHRSA-N 0 3 283.336 -1.756 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001379369173 888130356 /nfs/dbraw/zinc/13/03/56/888130356.db2.gz GAQZHUJKNNQXIB-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cccc(=O)n1C ZINC001379425444 888143719 /nfs/dbraw/zinc/14/37/19/888143719.db2.gz XRNZCNJNPZFNAT-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379737477 888171751 /nfs/dbraw/zinc/17/17/51/888171751.db2.gz BRSSORWYLSOIGY-JTQLQIEISA-N 0 3 288.348 -2.380 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001379971621 888186474 /nfs/dbraw/zinc/18/64/74/888186474.db2.gz XPQGXNLCUSXNAU-PWSUYJOCSA-N 0 3 278.324 -1.142 20 0 CAADHN CC(C)(O)CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001380905415 888234402 /nfs/dbraw/zinc/23/44/02/888234402.db2.gz SJLMBCWEYQUPIE-SECBINFHSA-N 0 3 273.333 -1.550 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001380905912 888234426 /nfs/dbraw/zinc/23/44/26/888234426.db2.gz WNBHORJKWSIIAJ-NXEZZACHSA-N 0 3 271.317 -1.675 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC ZINC001381363062 888252948 /nfs/dbraw/zinc/25/29/48/888252948.db2.gz GMGGIRLROFWMEH-RKDXNWHRSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn[nH]n1)NCCS(C)(=O)=O ZINC001382089139 888274615 /nfs/dbraw/zinc/27/46/15/888274615.db2.gz BAUYXJFGGBZGIZ-QMMMGPOBSA-N 0 3 289.361 -1.101 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001382094041 888275957 /nfs/dbraw/zinc/27/59/57/888275957.db2.gz AAKXROVKQOJMPS-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001382091952 888277494 /nfs/dbraw/zinc/27/74/94/888277494.db2.gz AQESGHIKFRWKHH-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CCn1cnnn1)C(N)=O ZINC001382141180 888278867 /nfs/dbraw/zinc/27/88/67/888278867.db2.gz TUOQGDGMKGBSAR-DTWKUNHWSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nc[nH]n1)NCCS(C)(=O)=O ZINC001382142223 888280132 /nfs/dbraw/zinc/28/01/32/888280132.db2.gz NNTBNVGSCCCPSO-QMMMGPOBSA-N 0 3 289.361 -1.101 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)NCC(N)=O ZINC001382117381 888280586 /nfs/dbraw/zinc/28/05/86/888280586.db2.gz RRLLJVRHGRFAPL-RNCFNFMXSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)NCC(N)=O ZINC001382117373 888282457 /nfs/dbraw/zinc/28/24/57/888282457.db2.gz RRLLJVRHGRFAPL-NOZJJQNGSA-N 0 3 284.360 -1.176 20 0 CAADHN COCCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@H]1C ZINC001382294845 888332275 /nfs/dbraw/zinc/33/22/75/888332275.db2.gz YFPGVMBPCLGILB-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CN(CC(=O)NC[C@@H](CO)NCC(N)=O)CC(C)(C)C ZINC001382258751 888319785 /nfs/dbraw/zinc/31/97/85/888319785.db2.gz YHIPDJBQHCUFEA-JTQLQIEISA-N 0 3 288.392 -1.484 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cnns1 ZINC001382448507 888357092 /nfs/dbraw/zinc/35/70/92/888357092.db2.gz XDQOBPWXKVMHQU-QMMMGPOBSA-N 0 3 274.346 -1.105 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)C1=CCOCC1)C(N)=O ZINC001382392810 888343583 /nfs/dbraw/zinc/34/35/83/888343583.db2.gz WZYGKWPCHDWFQS-MWLCHTKSSA-N 0 3 285.344 -1.384 20 0 CAADHN CC(=O)N(C)C[C@H](O)CNCC(=O)NC[C@@H]1CCOC1 ZINC001382380048 888343634 /nfs/dbraw/zinc/34/36/34/888343634.db2.gz ZELJFEBUUJVITM-NWDGAFQWSA-N 0 3 287.360 -1.432 20 0 CAADHN Cc1c(C(=O)N(C)C[C@H](O)CNCC(N)=O)nnn1C ZINC001382387135 888345185 /nfs/dbraw/zinc/34/51/85/888345185.db2.gz OVABYWDECLHAJD-MRVPVSSYSA-N 0 3 284.320 -2.369 20 0 CAADHN C[C@H](N[C@H]1CN(C(=O)CCNC(N)=O)CC1(C)C)C(N)=O ZINC001382382681 888345290 /nfs/dbraw/zinc/34/52/90/888345290.db2.gz YSMDUAZNLCFDNP-IUCAKERBSA-N 0 3 299.375 -1.255 20 0 CAADHN CO[C@@H](C)CC(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001382389452 888345325 /nfs/dbraw/zinc/34/53/25/888345325.db2.gz OBAFYPWYZLBCRH-QWRGUYRKSA-N 0 3 289.376 -1.092 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001382391688 888345728 /nfs/dbraw/zinc/34/57/28/888345728.db2.gz KRQCDHTVGPPVTD-FXQIFTODSA-N 0 3 279.287 -1.218 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)CO[C@@H]1CCOC1 ZINC001382463417 888361218 /nfs/dbraw/zinc/36/12/18/888361218.db2.gz NMNKAVMVULHXNS-NWDGAFQWSA-N 0 3 290.360 -1.465 20 0 CAADHN C[C@H](C(=O)NC[C@H]1C[C@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001388720705 888509294 /nfs/dbraw/zinc/50/92/94/888509294.db2.gz IEQPFIAJEBEJHH-IWSPIJDZSA-N 0 3 291.373 -1.611 20 0 CAADHN CO[C@@H](C)C(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001389773249 888560120 /nfs/dbraw/zinc/56/01/20/888560120.db2.gz JCIWWEGXVJEFHW-CIUDSAMLSA-N 0 3 286.332 -1.205 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)N[C@H]1CCNC1=O ZINC001390306360 888573231 /nfs/dbraw/zinc/57/32/31/888573231.db2.gz HKZBLYCDEYWJTN-WPRPVWTQSA-N 0 3 282.344 -1.505 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)N1CCC1 ZINC001390339490 888576653 /nfs/dbraw/zinc/57/66/53/888576653.db2.gz DMGHBYVLRSBXLQ-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CNC(=O)c1cnco1)N[C@@H](C)C(=O)NC(N)=O ZINC001390451688 888582293 /nfs/dbraw/zinc/58/22/93/888582293.db2.gz AWKVVCZTYSTQHG-RQJHMYQMSA-N 0 3 283.288 -1.034 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001390460451 888586631 /nfs/dbraw/zinc/58/66/31/888586631.db2.gz JRCQYZTXHDPFRP-MRVPVSSYSA-N 0 3 281.316 -1.386 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001390556839 888590353 /nfs/dbraw/zinc/59/03/53/888590353.db2.gz SHDVTJRGVJEHQT-IUCAKERBSA-N 0 3 284.316 -1.627 20 0 CAADHN C[C@H](CNC(=O)c1cnco1)N[C@H](C)C(=O)NC(N)=O ZINC001390451685 888581201 /nfs/dbraw/zinc/58/12/01/888581201.db2.gz AWKVVCZTYSTQHG-RNFRBKRXSA-N 0 3 283.288 -1.034 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001390769265 888601106 /nfs/dbraw/zinc/60/11/06/888601106.db2.gz VTVPXBVUSZLDHH-QMMMGPOBSA-N 0 3 284.320 -2.194 20 0 CAADHN Cc1nn(CC(=O)NCCN(C)C[C@H](C)O)c(=O)n1C ZINC001390854080 888607433 /nfs/dbraw/zinc/60/74/33/888607433.db2.gz VWMXSSDOCDTQJB-VIFPVBQESA-N 0 3 285.348 -1.681 20 0 CAADHN CS(=O)(=O)NCCC(=O)NC[C@@H]1CCCN1CCO ZINC001391056614 888609438 /nfs/dbraw/zinc/60/94/38/888609438.db2.gz ONJLRPXUNBXURK-JTQLQIEISA-N 0 3 293.389 -1.501 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1COC(=O)N1)C(=O)N(C)C ZINC001391204310 888615918 /nfs/dbraw/zinc/61/59/18/888615918.db2.gz DIINJSLESDFBKE-IUCAKERBSA-N 0 3 286.332 -1.381 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001391205103 888616608 /nfs/dbraw/zinc/61/66/08/888616608.db2.gz ZTKORXHHDUCCGV-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1c[nH]c(=O)n1C ZINC001391217645 888618240 /nfs/dbraw/zinc/61/82/40/888618240.db2.gz YQUNYZDEZSCTQU-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN CNC(=O)CCCC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001391206951 888618460 /nfs/dbraw/zinc/61/84/60/888618460.db2.gz DKVSUAAFJUMDJG-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001391224162 888618528 /nfs/dbraw/zinc/61/85/28/888618528.db2.gz FBFXOMUEQAUTBX-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CN1CCCC1=O)C(N)=O ZINC001391217515 888618886 /nfs/dbraw/zinc/61/88/86/888618886.db2.gz VTMNMDXHDZBTES-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN1CCOCC1=O)C(N)=O ZINC001391209108 888619861 /nfs/dbraw/zinc/61/98/61/888619861.db2.gz NKKSVSHVFCJLJR-VIFPVBQESA-N 0 3 286.332 -2.233 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1CCNC(=O)C1)C(N)=O ZINC001391205244 888621517 /nfs/dbraw/zinc/62/15/17/888621517.db2.gz AWFMIWHKNVGOSI-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@H]1CCN(CCO)C1)C(N)=O ZINC001391561649 888638186 /nfs/dbraw/zinc/63/81/86/888638186.db2.gz PBCZMJVJTOMSSG-UWVGGRQHSA-N 0 3 286.332 -2.451 20 0 CAADHN O=C(CCN1CCOCC1)N[C@@H]1CCN(CCO)C1 ZINC001391592398 888638786 /nfs/dbraw/zinc/63/87/86/888638786.db2.gz REAAGRAYCIXKJT-GFCCVEGCSA-N 0 3 271.361 -1.109 20 0 CAADHN CC[C@H](CNC(=O)c1cnn(C)c1N)N[C@@H](C)C(N)=O ZINC001391675410 888639076 /nfs/dbraw/zinc/63/90/76/888639076.db2.gz GBSZSPQLHUVFBM-JGVFFNPUSA-N 0 3 282.348 -1.026 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)CNC(=O)OC ZINC001391673016 888639736 /nfs/dbraw/zinc/63/97/36/888639736.db2.gz ZTTAFKPCNBWXHU-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001391584580 888640090 /nfs/dbraw/zinc/64/00/90/888640090.db2.gz AAVBQNNJIQJTAC-AXFHLTTASA-N 0 3 287.360 -1.304 20 0 CAADHN CC[C@@H](CNC(=O)CS(=O)(=O)NC)NCC(=O)NC ZINC001391749670 888642895 /nfs/dbraw/zinc/64/28/95/888642895.db2.gz KVRZUWUBTCCKDT-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001391796535 888647501 /nfs/dbraw/zinc/64/75/01/888647501.db2.gz JWAFIRTZVXOAKB-ZANVPECISA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CCn1cncn1)C(N)=O ZINC001392051295 888662605 /nfs/dbraw/zinc/66/26/05/888662605.db2.gz YARNXCDNTNCGMT-VHSXEESVSA-N 0 3 282.348 -1.022 20 0 CAADHN CCN1C[C@H](C(=O)N(C)[C@H](C)CNCC(N)=O)CC1=O ZINC001392078194 888663126 /nfs/dbraw/zinc/66/31/26/888663126.db2.gz UNSOYQFQMYGWNK-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001392161448 888665434 /nfs/dbraw/zinc/66/54/34/888665434.db2.gz FCQZOLSNLUKFIB-ZJUUUORDSA-N 0 3 284.360 -1.129 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)co1 ZINC001392364962 888684401 /nfs/dbraw/zinc/68/44/01/888684401.db2.gz UDAWSQDGBPIAJL-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C(C)C ZINC001392213864 888667942 /nfs/dbraw/zinc/66/79/42/888667942.db2.gz BQMBGAAQIMQJHL-WDEREUQCSA-N 0 3 298.387 -1.059 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001392271883 888668074 /nfs/dbraw/zinc/66/80/74/888668074.db2.gz IAJLURPMRNGFGH-VHSXEESVSA-N 0 3 289.332 -1.508 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C(C)C ZINC001392211740 888669926 /nfs/dbraw/zinc/66/99/26/888669926.db2.gz PXBLVHHLQHOEFR-IUCAKERBSA-N 0 3 286.332 -1.429 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001392271880 888670285 /nfs/dbraw/zinc/67/02/85/888670285.db2.gz IAJLURPMRNGFGH-UWVGGRQHSA-N 0 3 289.332 -1.508 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001392298960 888672289 /nfs/dbraw/zinc/67/22/89/888672289.db2.gz BARXTAHEKWHBOF-VHSXEESVSA-N 0 3 272.349 -1.219 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001392278555 888672863 /nfs/dbraw/zinc/67/28/63/888672863.db2.gz QCCUUMLZJYYVKE-JTQLQIEISA-N 0 3 295.405 -1.351 20 0 CAADHN CC(C)OCCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392348466 888676578 /nfs/dbraw/zinc/67/65/78/888676578.db2.gz IHLPULYUTQMOLN-MNOVXSKESA-N 0 3 287.360 -1.243 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NC[C@H](O)CNC(C)=O ZINC001392347294 888677477 /nfs/dbraw/zinc/67/74/77/888677477.db2.gz YPLULQSVJOGROZ-CBAPKCEASA-N 0 3 274.321 -1.693 20 0 CAADHN CC[C@H](F)CNC[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001392360335 888679197 /nfs/dbraw/zinc/67/91/97/888679197.db2.gz OEOPLKDAKCHSDC-IUCAKERBSA-N 0 3 284.353 -1.154 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CN1CCCC1=O)C(N)=O ZINC001392356678 888679600 /nfs/dbraw/zinc/67/96/00/888679600.db2.gz ZMCPOKIVKRKEJS-BDAKNGLRSA-N 0 3 286.332 -2.451 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnco1 ZINC001392385332 888690852 /nfs/dbraw/zinc/69/08/52/888690852.db2.gz CEAWUVLCVYRLHQ-QMMMGPOBSA-N 0 3 270.289 -1.557 20 0 CAADHN CC(F)(F)CC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392392623 888693386 /nfs/dbraw/zinc/69/33/86/888693386.db2.gz LTARBGGFXJJIIS-SFYZADRCSA-N 0 3 279.287 -1.013 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ncccc1F)C(N)=O ZINC001392408367 888697752 /nfs/dbraw/zinc/69/77/52/888697752.db2.gz BZFJFJDBJUJXEW-YUMQZZPRSA-N 0 3 284.291 -1.225 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnon1)N1CCC1 ZINC001392412267 888701220 /nfs/dbraw/zinc/70/12/20/888701220.db2.gz LBESYTRBRXUMLF-QMMMGPOBSA-N 0 3 283.288 -2.018 20 0 CAADHN NC(=O)CCCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392419106 888702502 /nfs/dbraw/zinc/70/25/02/888702502.db2.gz AATZANRCZJCFGG-RKDXNWHRSA-N 0 3 286.332 -2.403 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](OC)C1CC1 ZINC001392367589 888686336 /nfs/dbraw/zinc/68/63/36/888686336.db2.gz LTPVHINWXZEFPU-ONGXEEELSA-N 0 3 273.333 -1.776 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC001392368813 888688354 /nfs/dbraw/zinc/68/83/54/888688354.db2.gz TZSPABULJMOJEA-QWRGUYRKSA-N 0 3 287.360 -1.242 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CCn1cncn1 ZINC001392453520 888711248 /nfs/dbraw/zinc/71/12/48/888711248.db2.gz AAQNEMMFPAAHSH-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CNC(=O)OC)C(N)=O ZINC001392464492 888712881 /nfs/dbraw/zinc/71/28/81/888712881.db2.gz HLMXOZJCJFAFFO-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CNC(=O)C1CC1)C(N)=O ZINC001392550360 888718635 /nfs/dbraw/zinc/71/86/35/888718635.db2.gz ZZEFZYZDSKWTSN-WPRPVWTQSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCCN(C)C1=O ZINC001392541327 888720002 /nfs/dbraw/zinc/72/00/02/888720002.db2.gz HIRSCJLUNWUAAW-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1COCCO1 ZINC001392546749 888720428 /nfs/dbraw/zinc/72/04/28/888720428.db2.gz LGEKOHLICJSEPW-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)[C@@H](C)N(C)C[C@@H](C)NC(=O)Cc1nnc[nH]1 ZINC001392727750 888736851 /nfs/dbraw/zinc/73/68/51/888736851.db2.gz UFZCTCPHBSLNCH-RKDXNWHRSA-N 0 3 282.348 -1.082 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1ccccc1=O ZINC001392612994 888728507 /nfs/dbraw/zinc/72/85/07/888728507.db2.gz GGICMSJWLKPGNZ-UWVGGRQHSA-N 0 3 280.328 -1.184 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001393047959 888756242 /nfs/dbraw/zinc/75/62/42/888756242.db2.gz QPYIOGIFZCUVRA-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN O=C(C[C@H]1CCOC1)NC[C@@]1(O)CCN(CCO)C1 ZINC001393276809 888765970 /nfs/dbraw/zinc/76/59/70/888765970.db2.gz OBKYLFILJQXTLY-YPMHNXCESA-N 0 3 272.345 -1.042 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCCOC2)CCO1 ZINC001393587198 888793190 /nfs/dbraw/zinc/79/31/90/888793190.db2.gz UZHXEJFPLDOWFZ-QWRGUYRKSA-N 0 3 285.344 -1.285 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)COC)CCO1 ZINC001393571612 888795266 /nfs/dbraw/zinc/79/52/66/888795266.db2.gz UUZCZACDTGBWIM-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C[C@@H]2CCCO2)CCO1 ZINC001393589987 888798678 /nfs/dbraw/zinc/79/86/78/888798678.db2.gz XYTLAJYFHQMTNM-WDEREUQCSA-N 0 3 285.344 -1.142 20 0 CAADHN CNC(=O)CCCC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001393742131 888802289 /nfs/dbraw/zinc/80/22/89/888802289.db2.gz MSYGPSQITAWPHK-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cn1cccn1)C(N)=O ZINC001393454347 888784950 /nfs/dbraw/zinc/78/49/50/888784950.db2.gz AEIXFRLSVVQJHV-SNVBAGLBSA-N 0 3 283.332 -1.833 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nccnc1N)N[C@@H](C)C(N)=O ZINC001394470210 888831382 /nfs/dbraw/zinc/83/13/82/888831382.db2.gz RBPRGFJJPHYEGJ-YUMQZZPRSA-N 0 3 280.332 -1.017 20 0 CAADHN C[C@@H](CN(C)C(=O)CN(C)C(=O)C1CC1)NCC(N)=O ZINC001394503717 888831747 /nfs/dbraw/zinc/83/17/47/888831747.db2.gz NTGCXDXGCWDRSS-VIFPVBQESA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@H](C)NC(N)=O ZINC001394482589 888831778 /nfs/dbraw/zinc/83/17/78/888831778.db2.gz GRYVWMZKVMWVJV-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCCS(C)(=O)=O ZINC001393921286 888808649 /nfs/dbraw/zinc/80/86/49/888808649.db2.gz WDRCQFNJPVKVJO-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CNC(=O)OC ZINC001393938305 888811239 /nfs/dbraw/zinc/81/12/39/888811239.db2.gz ZIVLLXPVKJHODG-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CNC(=O)CCn1ncn(C)c1=O)N(C)CCO ZINC001394099550 888812395 /nfs/dbraw/zinc/81/23/95/888812395.db2.gz VHGWPUVXTFRMBY-SNVBAGLBSA-N 0 3 285.348 -1.599 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)CN1CCCC1 ZINC001394653458 888875551 /nfs/dbraw/zinc/87/55/51/888875551.db2.gz NSLUVNUDFKGQNX-WDEREUQCSA-N 0 3 286.376 -1.717 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394748735 888888336 /nfs/dbraw/zinc/88/83/36/888888336.db2.gz XKLHQRYULPKLDJ-REIXXSIJSA-N 0 3 271.317 -2.227 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001394670557 888880465 /nfs/dbraw/zinc/88/04/65/888880465.db2.gz YHPQVTJXZRJLPG-SFYZADRCSA-N 0 3 272.305 -1.593 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001394772684 888897670 /nfs/dbraw/zinc/89/76/70/888897670.db2.gz USHKKHKBERYLKE-MNOVXSKESA-N 0 3 288.344 -1.317 20 0 CAADHN CCn1nncc1C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001394776650 888896284 /nfs/dbraw/zinc/89/62/84/888896284.db2.gz TVFOWIJHDNHWFW-JTQLQIEISA-N 0 3 285.348 -1.345 20 0 CAADHN CCn1nncc1C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001394776652 888899566 /nfs/dbraw/zinc/89/95/66/888899566.db2.gz TVFOWIJHDNHWFW-SNVBAGLBSA-N 0 3 285.348 -1.345 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)NC1=O ZINC001394822869 888899604 /nfs/dbraw/zinc/89/96/04/888899604.db2.gz JJHXHHBYHMLNIP-BDAKNGLRSA-N 0 3 299.375 -1.384 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C(C)(C)C)NC1=O ZINC001394822875 888899776 /nfs/dbraw/zinc/89/97/76/888899776.db2.gz JJHXHHBYHMLNIP-IUCAKERBSA-N 0 3 299.375 -1.384 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1O)N(C)C ZINC001396385715 888942698 /nfs/dbraw/zinc/94/26/98/888942698.db2.gz XLRULESNGNWHDZ-OUAUKWLOSA-N 0 3 287.360 -1.339 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001398405003 888992405 /nfs/dbraw/zinc/99/24/05/888992405.db2.gz OGFPNURSYUCVOR-WPRPVWTQSA-N 0 3 299.375 -1.336 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](N[C@@H](C)C(N)=O)C1CC1 ZINC001398376177 888992495 /nfs/dbraw/zinc/99/24/95/888992495.db2.gz QJZMQSHLIGBHHG-OIBJUYFYSA-N 0 3 270.333 -1.519 20 0 CAADHN CCOCC(=O)N1CC[C@H](NCC(=O)NC(=O)NC)C1 ZINC001398486132 888992518 /nfs/dbraw/zinc/99/25/18/888992518.db2.gz MXLMTAWFRHOJFD-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001398383185 888995030 /nfs/dbraw/zinc/99/50/30/888995030.db2.gz BGKRHHQBVAUBJI-VIFPVBQESA-N 0 3 281.320 -2.097 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001398344853 888995062 /nfs/dbraw/zinc/99/50/62/888995062.db2.gz QBXIOVQXNTWKBM-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN C[C@@H](N[C@H]1C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1)C(N)=O ZINC001398540519 888998759 /nfs/dbraw/zinc/99/87/59/888998759.db2.gz VWVZTYDPXKGZCP-FNCVBFRFSA-N 0 3 291.373 -1.470 20 0 CAADHN C[C@@H](CNC(=O)CCn1cnccc1=O)NCC(N)=O ZINC001399118515 889029859 /nfs/dbraw/zinc/02/98/59/889029859.db2.gz ZRLLLHHZYIHOER-VIFPVBQESA-N 0 3 281.316 -1.787 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001399115183 889029890 /nfs/dbraw/zinc/02/98/90/889029890.db2.gz PDUYPOVBSCVXQW-HTQZYQBOSA-N 0 3 292.361 -2.482 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001399115207 889030432 /nfs/dbraw/zinc/03/04/32/889030432.db2.gz PDUYPOVBSCVXQW-JGVFFNPUSA-N 0 3 292.361 -2.482 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@H](C)NCC(N)=O)C1 ZINC001399153126 889030812 /nfs/dbraw/zinc/03/08/12/889030812.db2.gz HRAVJRMUXKKVET-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001398964747 889022536 /nfs/dbraw/zinc/02/25/36/889022536.db2.gz ZYPTVTFCWWPPJI-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001398954049 889022561 /nfs/dbraw/zinc/02/25/61/889022561.db2.gz QTOFPTIQDWRGQK-MRVPVSSYSA-N 0 3 281.316 -1.766 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CCS(C)(=O)=O)C(N)=O ZINC001398957880 889022654 /nfs/dbraw/zinc/02/26/54/889022654.db2.gz OLZYTFLGHGKSLJ-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001398964786 889023939 /nfs/dbraw/zinc/02/39/39/889023939.db2.gz ZYPTVTFCWWPPJI-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN CCN1C[C@@H](C(=O)NC[C@H](C)NCC(=O)NC)CC1=O ZINC001398959239 889024471 /nfs/dbraw/zinc/02/44/71/889024471.db2.gz OMRPRGMTJCDMOI-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H](C)CC(N)=O ZINC001399036614 889029037 /nfs/dbraw/zinc/02/90/37/889029037.db2.gz UJIDPMOSOLINSD-BDAKNGLRSA-N 0 3 272.349 -1.272 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001399116443 889033533 /nfs/dbraw/zinc/03/35/33/889033533.db2.gz WJWGWMVCTHXTFW-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN(CCNC(=O)CN1CCOCC1=O)CCOC ZINC001399706000 889059859 /nfs/dbraw/zinc/05/98/59/889059859.db2.gz JBXWVENWYNEHKC-UHFFFAOYSA-N 0 3 287.360 -1.070 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001400484469 889107998 /nfs/dbraw/zinc/10/79/98/889107998.db2.gz UHLIWKGFIQTHCG-VHSXEESVSA-N 0 3 287.316 -1.850 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001400651599 889115592 /nfs/dbraw/zinc/11/55/92/889115592.db2.gz FLGASWBUJKQNJY-UTLUCORTSA-N 0 3 287.316 -1.707 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)CCNC(N)=O ZINC001401249061 889130920 /nfs/dbraw/zinc/13/09/20/889130920.db2.gz AZBYKTMFUHJXNY-VIFPVBQESA-N 0 3 287.364 -1.431 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001401253770 889130934 /nfs/dbraw/zinc/13/09/34/889130934.db2.gz OLJZGFNVYNPSNC-SSDOTTSWSA-N 0 3 280.350 -2.543 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN(C)C[C@@H](O)COC ZINC001401373629 889135640 /nfs/dbraw/zinc/13/56/40/889135640.db2.gz XPOLPZVCIFNOEM-SNVBAGLBSA-N 0 3 290.364 -1.687 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(N)=O ZINC001401329599 889135659 /nfs/dbraw/zinc/13/56/59/889135659.db2.gz DIRQABZFHHAQKV-JGVFFNPUSA-N 0 3 271.321 -2.117 20 0 CAADHN CC(C)[C@@H](CNC(=O)CN1CCNC(=O)C1)NCC(N)=O ZINC001401339215 889136289 /nfs/dbraw/zinc/13/62/89/889136289.db2.gz ORTYXENBGYZZEI-SNVBAGLBSA-N 0 3 299.375 -2.366 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001401480301 889139383 /nfs/dbraw/zinc/13/93/83/889139383.db2.gz ATOYTJXRCPIHSL-GHMZBOCLSA-N 0 3 287.360 -1.384 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1coc(C)n1)C(N)=O ZINC001401488808 889139417 /nfs/dbraw/zinc/13/94/17/889139417.db2.gz JHFDOBULOZRUSM-DTWKUNHWSA-N 0 3 284.316 -1.073 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001401492422 889140186 /nfs/dbraw/zinc/14/01/86/889140186.db2.gz IBLDKMFMNPORRN-APPZFPTMSA-N 0 3 283.332 -1.467 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnns1)C(N)=O ZINC001401480052 889140906 /nfs/dbraw/zinc/14/09/06/889140906.db2.gz ASPRXBDYDJXRLX-WDSKDSINSA-N 0 3 273.318 -1.908 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)co1 ZINC001401492468 889142292 /nfs/dbraw/zinc/14/22/92/889142292.db2.gz FVWBTHQZDQOPAD-SVRRBLITSA-N 0 3 270.289 -1.463 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001401496567 889143341 /nfs/dbraw/zinc/14/33/41/889143341.db2.gz UNCBHMGXIVLTGJ-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1cnn(C)c1)C(N)=O ZINC001401498062 889144058 /nfs/dbraw/zinc/14/40/58/889144058.db2.gz NFMXDSOODZCXOE-PSASIEDQSA-N 0 3 283.332 -2.097 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cccn1C ZINC001401521374 889151456 /nfs/dbraw/zinc/15/14/56/889151456.db2.gz WWEQFZKWVTZPMQ-UWVGGRQHSA-N 0 3 282.344 -1.160 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001401510455 889151470 /nfs/dbraw/zinc/15/14/70/889151470.db2.gz OKRTVNZDEURQBD-WCBMZHEXSA-N 0 3 283.332 -1.543 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1ccc(F)cn1 ZINC001401536576 889153943 /nfs/dbraw/zinc/15/39/43/889153943.db2.gz IYDFBAYQLNEJBQ-SNVBAGLBSA-N 0 3 284.291 -1.685 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCOC1 ZINC001401550772 889154742 /nfs/dbraw/zinc/15/47/42/889154742.db2.gz SSUHCGQWFFZSSU-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001401563988 889155836 /nfs/dbraw/zinc/15/58/36/889155836.db2.gz PPVSUPCGNVTIOW-NXEZZACHSA-N 0 3 288.348 -2.741 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001401568341 889162007 /nfs/dbraw/zinc/16/20/07/889162007.db2.gz HFAVSVKZOYWOBW-VHSXEESVSA-N 0 3 283.332 -1.916 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001401585194 889164481 /nfs/dbraw/zinc/16/44/81/889164481.db2.gz YPWHGERYKYXIBK-JTQLQIEISA-N 0 3 283.332 -1.893 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H](C)CNCC(N)=O ZINC001401623053 889170608 /nfs/dbraw/zinc/17/06/08/889170608.db2.gz AAEDQETXJRGXSY-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN COC[C@H](C)C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001401621850 889171559 /nfs/dbraw/zinc/17/15/59/889171559.db2.gz RCTQXLNOYDLTQI-JGVFFNPUSA-N 0 3 274.321 -1.442 20 0 CAADHN CCCN1CC[C@@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001401884216 889188563 /nfs/dbraw/zinc/18/85/63/889188563.db2.gz DDXYLBAFTKUAAK-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001401722447 889177436 /nfs/dbraw/zinc/17/74/36/889177436.db2.gz HILKTKVPSDDQGB-IUCAKERBSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCOCC1=O ZINC001401683953 889178956 /nfs/dbraw/zinc/17/89/56/889178956.db2.gz AIMPOTSAHOFVQK-IUCAKERBSA-N 0 3 286.332 -2.187 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001401683774 889180404 /nfs/dbraw/zinc/18/04/04/889180404.db2.gz BWDDZMVRKMBKLH-QMMMGPOBSA-N 0 3 291.373 -1.739 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@]1(O)CCN(CC(N)=O)C1 ZINC001402308961 889219900 /nfs/dbraw/zinc/21/99/00/889219900.db2.gz HSESYNVDNRZQFF-CYBMUJFWSA-N 0 3 286.376 -1.635 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001402302562 889221661 /nfs/dbraw/zinc/22/16/61/889221661.db2.gz BRWLRHRVQGNOOS-QWRGUYRKSA-N 0 3 285.344 -1.238 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001402196091 889204579 /nfs/dbraw/zinc/20/45/79/889204579.db2.gz XIPHTOKVDYMTSZ-RKDXNWHRSA-N 0 3 294.377 -2.389 20 0 CAADHN Cc1n[nH]nc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001402473210 889242488 /nfs/dbraw/zinc/24/24/88/889242488.db2.gz DPBNYRGSNGLDDF-QMMMGPOBSA-N 0 3 284.320 -1.989 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H]1COCCN1CC(N)=O ZINC001402525843 889246665 /nfs/dbraw/zinc/24/66/65/889246665.db2.gz HCOBYMYWFLDQIZ-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN C[C@H](CC(=O)NCC1(NCC(N)=O)CCC1)NC(N)=O ZINC001402547477 889250268 /nfs/dbraw/zinc/25/02/68/889250268.db2.gz SFLKRWVQQVNEQD-MRVPVSSYSA-N 0 3 285.348 -1.453 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)COC)CCO1 ZINC001402598882 889251985 /nfs/dbraw/zinc/25/19/85/889251985.db2.gz JUJMKYLXYOMBBV-GHMZBOCLSA-N 0 3 287.360 -1.168 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)COC)CCO1 ZINC001402598897 889252373 /nfs/dbraw/zinc/25/23/73/889252373.db2.gz JUJMKYLXYOMBBV-MNOVXSKESA-N 0 3 287.360 -1.168 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H](C)n1cncn1 ZINC001403542157 889310461 /nfs/dbraw/zinc/31/04/61/889310461.db2.gz UKGXCCZWEYXYEE-GHMZBOCLSA-N 0 3 285.348 -1.106 20 0 CAADHN C[C@H](CC(=O)N(C)C[C@H](C)NCC(N)=O)NC(N)=O ZINC001403560799 889311939 /nfs/dbraw/zinc/31/19/39/889311939.db2.gz YNCJUZDJDFZWIQ-SFYZADRCSA-N 0 3 273.337 -1.645 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H]1COC(=O)N1 ZINC001403540977 889313141 /nfs/dbraw/zinc/31/31/41/889313141.db2.gz QIPCKSAXVNJOGY-BDAKNGLRSA-N 0 3 275.305 -1.850 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)C[C@@H]1COC(=O)C1 ZINC001403544991 889313192 /nfs/dbraw/zinc/31/31/92/889313192.db2.gz QVRBSTZZBJURCT-QWRGUYRKSA-N 0 3 288.344 -1.005 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CCNC(N)=O ZINC001403604869 889319397 /nfs/dbraw/zinc/31/93/97/889319397.db2.gz CCBGZIDCAZLUGZ-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O ZINC001403621835 889322856 /nfs/dbraw/zinc/32/28/56/889322856.db2.gz FQLBGLAERKOMSZ-YUMQZZPRSA-N 0 3 294.377 -2.154 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CCNC(N)=O ZINC001403604867 889317140 /nfs/dbraw/zinc/31/71/40/889317140.db2.gz CCBGZIDCAZLUGZ-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CN(CCO)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001403769958 889367618 /nfs/dbraw/zinc/36/76/18/889367618.db2.gz OLPZIQFWEICALP-UHFFFAOYSA-N 0 3 270.289 -1.860 20 0 CAADHN Cc1ocnc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001403825497 889370341 /nfs/dbraw/zinc/37/03/41/889370341.db2.gz GXWIZBMYTFCKAJ-MRVPVSSYSA-N 0 3 270.289 -1.509 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001403844158 889373303 /nfs/dbraw/zinc/37/33/03/889373303.db2.gz JAJNBAQSCPUAHH-IUCAKERBSA-N 0 3 286.332 -2.641 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001403844160 889373328 /nfs/dbraw/zinc/37/33/28/889373328.db2.gz JAJNBAQSCPUAHH-RKDXNWHRSA-N 0 3 286.332 -2.641 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ccncc1)C(N)=O ZINC001403837548 889373703 /nfs/dbraw/zinc/37/37/03/889373703.db2.gz YPQAIFBDOXMULJ-KOLCDFICSA-N 0 3 280.328 -1.022 20 0 CAADHN CCn1ccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001403867377 889379555 /nfs/dbraw/zinc/37/95/55/889379555.db2.gz HUWYDJNPBAVHKA-VIFPVBQESA-N 0 3 283.332 -1.589 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001403866326 889382008 /nfs/dbraw/zinc/38/20/08/889382008.db2.gz DNGOMLDWKMADNP-JTQLQIEISA-N 0 3 283.332 -1.893 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ccncn1)C(N)=O ZINC001403877221 889382767 /nfs/dbraw/zinc/38/27/67/889382767.db2.gz SUEURXRMQQJZHV-BDAKNGLRSA-N 0 3 281.316 -1.627 20 0 CAADHN CCN(CCNC(=O)[C@H]1CCS(=O)(=O)N1)CCOC ZINC001403952921 889388309 /nfs/dbraw/zinc/38/83/09/889388309.db2.gz AIEKOMSRLYSSOB-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001404035213 889398271 /nfs/dbraw/zinc/39/82/71/889398271.db2.gz VDTDBZQOFZXZFM-ZJUUUORDSA-N 0 3 275.349 -1.759 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CN1CCOCC1 ZINC001404331231 889405013 /nfs/dbraw/zinc/40/50/13/889405013.db2.gz VHKUBPPOQPIIKR-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CCN1CCN(CCN(C)C(=O)Cn2ncnn2)CC1 ZINC001404557154 889408862 /nfs/dbraw/zinc/40/88/62/889408862.db2.gz GKFCVUGROCDHDD-UHFFFAOYSA-N 0 3 281.364 -1.231 20 0 CAADHN CC[C@@H](CNC(=O)CNC(C)=O)NCC(=O)N1CCC1 ZINC001405205230 889435237 /nfs/dbraw/zinc/43/52/37/889435237.db2.gz ZFWBMBKFSDJFMS-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN CC[C@H](CNC(=O)CS(C)(=O)=O)N[C@@H]1CCNC1=O ZINC001405213104 889437486 /nfs/dbraw/zinc/43/74/86/889437486.db2.gz YCGLASIEZAHMJB-RKDXNWHRSA-N 0 3 291.373 -1.596 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCCC(=O)N1)NCC(N)=O ZINC001405254395 889441894 /nfs/dbraw/zinc/44/18/94/889441894.db2.gz NPWRNPVPIVGTFI-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001405796150 889470965 /nfs/dbraw/zinc/47/09/65/889470965.db2.gz MLKZKJIIOBAKDM-NXEZZACHSA-N 0 3 284.360 -1.210 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@H](C)CN[C@@H]1CCNC1=O ZINC001405809634 889471044 /nfs/dbraw/zinc/47/10/44/889471044.db2.gz QWVGGZDMZRFPKO-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001405851140 889471207 /nfs/dbraw/zinc/47/12/07/889471207.db2.gz IJXSTJCKFLAZSS-NOZJJQNGSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001405912181 889472171 /nfs/dbraw/zinc/47/21/71/889472171.db2.gz APSRTGDTJLOVPU-DTWKUNHWSA-N 0 3 286.332 -1.299 20 0 CAADHN CCN1CCO[C@H](C(=O)N(C)[C@H](C)CNCC(N)=O)C1 ZINC001405899273 889472481 /nfs/dbraw/zinc/47/24/81/889472481.db2.gz QGZLBSVHVAQFLO-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001405851149 889470590 /nfs/dbraw/zinc/47/05/90/889470590.db2.gz IJXSTJCKFLAZSS-RNCFNFMXSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001405796159 889470611 /nfs/dbraw/zinc/47/06/11/889470611.db2.gz MLKZKJIIOBAKDM-VHSXEESVSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1ncn(C)n1 ZINC001405800548 889470820 /nfs/dbraw/zinc/47/08/20/889470820.db2.gz CCUDVOHJUCALCJ-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001405875309 889470948 /nfs/dbraw/zinc/47/09/48/889470948.db2.gz OIDCVRUWSMCJLC-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001406188234 889477599 /nfs/dbraw/zinc/47/75/99/889477599.db2.gz LUUJJYDOIDAUOD-ZJUUUORDSA-N 0 3 289.332 -2.395 20 0 CAADHN CCC(=O)NC[C@@H](O)CNCC(=O)N1CCO[C@@H](C)C1 ZINC001406187511 889477817 /nfs/dbraw/zinc/47/78/17/889477817.db2.gz IFKDPHDXMRARIL-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CC(=O)CCCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001406178125 889479122 /nfs/dbraw/zinc/47/91/22/889479122.db2.gz DMJJFANYQNEOEC-QWRGUYRKSA-N 0 3 285.344 -1.299 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C(F)F ZINC001406187102 889479771 /nfs/dbraw/zinc/47/97/71/889479771.db2.gz GMXSDUFTSLTQFB-LURJTMIESA-N 0 3 296.274 -1.836 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1ccoc1 ZINC001406200408 889481472 /nfs/dbraw/zinc/48/14/72/889481472.db2.gz DQAURTPWXQKTCI-NSHDSACASA-N 0 3 283.328 -1.023 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ncoc1C ZINC001406201308 889483100 /nfs/dbraw/zinc/48/31/00/889483100.db2.gz CTRZIUHAIDYWJY-QMMMGPOBSA-N 0 3 270.289 -1.591 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ncoc1C ZINC001406217864 889490088 /nfs/dbraw/zinc/49/00/88/889490088.db2.gz PTBDDQVFLIZALV-IONNQARKSA-N 0 3 284.316 -1.202 20 0 CAADHN CO[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C)C1CC1 ZINC001406226252 889493125 /nfs/dbraw/zinc/49/31/25/889493125.db2.gz ZJVWPTCCUFOCOO-CMPLNLGQSA-N 0 3 287.360 -1.434 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001406387712 889518107 /nfs/dbraw/zinc/51/81/07/889518107.db2.gz WDQHBLMTJKDBIO-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H](C)CC(N)=O ZINC001406321155 889511699 /nfs/dbraw/zinc/51/16/99/889511699.db2.gz ZHCRFYMUGQNZFQ-BDAKNGLRSA-N 0 3 272.349 -1.190 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001406322297 889511704 /nfs/dbraw/zinc/51/17/04/889511704.db2.gz UGCDZYXWHXWNNV-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)CCNC(N)=O ZINC001406558733 889527803 /nfs/dbraw/zinc/52/78/03/889527803.db2.gz NFDQMGKHBLVOKE-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001406556573 889528091 /nfs/dbraw/zinc/52/80/91/889528091.db2.gz FRFIHQGIKKHANO-GUBZILKMSA-N 0 3 282.344 -1.410 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001406519368 889525407 /nfs/dbraw/zinc/52/54/07/889525407.db2.gz PPAKNVIGIOIGDV-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCCC(N)=O ZINC001406573504 889530598 /nfs/dbraw/zinc/53/05/98/889530598.db2.gz RYBTXUXCQDWQEX-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@H]1CCN1CC(C)C ZINC001406863369 889540390 /nfs/dbraw/zinc/54/03/90/889540390.db2.gz VNVARQOPBQYEIT-SNVBAGLBSA-N 0 3 292.405 -1.113 20 0 CAADHN Cc1c(C(=O)NC[C@]2(O)CCN(CCO)C2)cnn1C ZINC001407331832 889560958 /nfs/dbraw/zinc/56/09/58/889560958.db2.gz NEKMBKYYBYSDQL-CYBMUJFWSA-N 0 3 282.344 -1.113 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001407112050 889552594 /nfs/dbraw/zinc/55/25/94/889552594.db2.gz SRIHAHXDKDFEFM-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1ncc[nH]1)C(N)=O ZINC001407680017 889588657 /nfs/dbraw/zinc/58/86/57/889588657.db2.gz ANLAALHKCIUAIA-SECBINFHSA-N 0 3 283.332 -1.302 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)CCNC(N)=O)C1 ZINC001409049370 889627962 /nfs/dbraw/zinc/62/79/62/889627962.db2.gz IDJDVVVLDULSDT-UHFFFAOYSA-N 0 3 299.375 -1.286 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CNC(=O)NC ZINC001409340993 889632207 /nfs/dbraw/zinc/63/22/07/889632207.db2.gz BXSPTUWCFPOLQT-YUMQZZPRSA-N 0 3 273.337 -1.856 20 0 CAADHN CC(=O)NCC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001409025117 889624790 /nfs/dbraw/zinc/62/47/90/889624790.db2.gz ZKTSBQQXNDGFPV-NSHDSACASA-N 0 3 282.344 -1.456 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001409496715 889636175 /nfs/dbraw/zinc/63/61/75/889636175.db2.gz CJXSCCGDGJOPEK-GMTAPVOTSA-N 0 3 287.360 -1.291 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O ZINC001410395334 889674681 /nfs/dbraw/zinc/67/46/81/889674681.db2.gz NYTQEUQTQZHIQG-YUMQZZPRSA-N 0 3 273.337 -1.774 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C ZINC001410853921 889721769 /nfs/dbraw/zinc/72/17/69/889721769.db2.gz KRGOBPGXUYTVEM-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001410942621 889724628 /nfs/dbraw/zinc/72/46/28/889724628.db2.gz REZLBEAVOONUHK-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001410987016 889727061 /nfs/dbraw/zinc/72/70/61/889727061.db2.gz RHRVWTRQNIJZKA-RKDXNWHRSA-N 0 3 288.348 -2.205 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001411167414 889737600 /nfs/dbraw/zinc/73/76/00/889737600.db2.gz CXRRSBYHHHXEII-NXEZZACHSA-N 0 3 289.332 -1.508 20 0 CAADHN COCCN(CCNC(=O)c1cnn(C)n1)C[C@H](C)O ZINC001411227361 889743636 /nfs/dbraw/zinc/74/36/36/889743636.db2.gz YZGYQQBCIOIGCQ-JTQLQIEISA-N 0 3 285.348 -1.126 20 0 CAADHN CN(CC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)C1CCC1 ZINC001412413608 889828110 /nfs/dbraw/zinc/82/81/10/889828110.db2.gz WZYULROSKJOAQM-AOOOYVTPSA-N 0 3 282.344 -1.484 20 0 CAADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCN(C)CCO ZINC001412610856 889856978 /nfs/dbraw/zinc/85/69/78/889856978.db2.gz SAWQKFCXZFYNJU-KOLCDFICSA-N 0 3 287.360 -1.698 20 0 CAADHN NS(=O)(=O)NC1CCN(C[C@@H](O)C2(O)CCC2)CC1 ZINC001413035278 889929301 /nfs/dbraw/zinc/92/93/01/889929301.db2.gz OMPZYNFWQITTQH-SNVBAGLBSA-N 0 3 293.389 -1.480 20 0 CAADHN NS(=O)(=O)C[C@@H]1CCN(CCN2CCNC2=O)C1 ZINC001413068034 889937477 /nfs/dbraw/zinc/93/74/77/889937477.db2.gz PWIMOYXZCYVJKD-SECBINFHSA-N 0 3 276.362 -1.378 20 0 CAADHN CC(C)(O)[C@@H](O)CN(CCO)CCN1CCOCC1 ZINC001413964544 890033705 /nfs/dbraw/zinc/03/37/05/890033705.db2.gz RHKDPACEZSXFSK-LBPRGKRZSA-N 0 3 276.377 -1.255 20 0 CAADHN CCN1CCN(CCC(=O)N2C[C@H](O)[C@@H](CO)C2)CC1 ZINC001417929874 890179069 /nfs/dbraw/zinc/17/90/69/890179069.db2.gz FIYGDRORVQLWFJ-OLZOCXBDSA-N 0 3 285.388 -1.174 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001418038503 890185641 /nfs/dbraw/zinc/18/56/41/890185641.db2.gz GCWDBLAEJSUORV-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@@H](CNC(=O)c1cccnc1)NCC(=O)NC(N)=O ZINC001418201399 890197453 /nfs/dbraw/zinc/19/74/53/890197453.db2.gz ZEHBYMCTYAOQBY-QMMMGPOBSA-N 0 3 279.300 -1.016 20 0 CAADHN C[C@H](CNC(=O)C[C@H]1CCN(C)C1=O)NCC(N)=O ZINC001418236180 890198721 /nfs/dbraw/zinc/19/87/21/890198721.db2.gz LJQKWCACDWYATA-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN COc1cc(=O)[nH]cc1C(=O)NC[C@H](C)NCC(N)=O ZINC001418284514 890210249 /nfs/dbraw/zinc/21/02/49/890210249.db2.gz VYGIZUQVVGVDDJ-ZETCQYMHSA-N 0 3 282.300 -1.011 20 0 CAADHN CN(CCO)CCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001418468577 890226935 /nfs/dbraw/zinc/22/69/35/890226935.db2.gz LHNOIGCXYYJFTC-UHFFFAOYSA-N 0 3 280.328 -1.237 20 0 CAADHN Cc1nn(CC(=O)NCCN(C)CCCO)c(=O)n1C ZINC001418520001 890230739 /nfs/dbraw/zinc/23/07/39/890230739.db2.gz GCUHFWRJYWZXGP-UHFFFAOYSA-N 0 3 285.348 -1.679 20 0 CAADHN CS(=O)(=O)CCC(=O)NC[C@H]1C[C@H](NCC(N)=O)C1 ZINC001418685193 890250942 /nfs/dbraw/zinc/25/09/42/890250942.db2.gz PTTGTROURODLHD-KYZUINATSA-N 0 3 291.373 -1.609 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001418836042 890266342 /nfs/dbraw/zinc/26/63/42/890266342.db2.gz XFBJVDLMZOYBEY-SECBINFHSA-N 0 3 291.373 -1.642 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCNS(C)(=O)=O)C(N)=O ZINC001418813085 890266814 /nfs/dbraw/zinc/26/68/14/890266814.db2.gz TZTODCOANQYEHY-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001419062104 890294983 /nfs/dbraw/zinc/29/49/83/890294983.db2.gz IHYMWGWNNQJGDP-AEJSXWLSSA-N 0 3 286.332 -2.134 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)NCC(N)=O ZINC001419278577 890313704 /nfs/dbraw/zinc/31/37/04/890313704.db2.gz FEWDOFUQLJYCML-SFYZADRCSA-N 0 3 292.361 -2.352 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1COCCO1)C1CC1 ZINC001419232035 890314815 /nfs/dbraw/zinc/31/48/15/890314815.db2.gz FMHNGNQASSVTMR-WDEREUQCSA-N 0 3 285.344 -1.368 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001419275309 890315336 /nfs/dbraw/zinc/31/53/36/890315336.db2.gz YBHPYEZFSADLCZ-NXEZZACHSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1)NCC(=O)NC(N)=O ZINC001419701840 890346274 /nfs/dbraw/zinc/34/62/74/890346274.db2.gz SUZCYTGKVQLPLT-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)NCC(=O)N(C)C ZINC001419738160 890349187 /nfs/dbraw/zinc/34/91/87/890349187.db2.gz UFVQLQFLANOBNN-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001419804071 890352016 /nfs/dbraw/zinc/35/20/16/890352016.db2.gz IWJFLOMHDMGELA-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001419804069 890354214 /nfs/dbraw/zinc/35/42/14/890354214.db2.gz IWJFLOMHDMGELA-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCS1(=O)=O)NCC(N)=O ZINC001419762393 890356125 /nfs/dbraw/zinc/35/61/25/890356125.db2.gz GRMCDAZTTKXGEJ-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccnc(OC)n1 ZINC001419805172 890356186 /nfs/dbraw/zinc/35/61/86/890356186.db2.gz ZRJMCHANRALVNH-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001419823604 890359827 /nfs/dbraw/zinc/35/98/27/890359827.db2.gz PBHYTUOMQBBTJN-SFYZADRCSA-N 0 3 271.321 -2.102 20 0 CAADHN CC(C)OCC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001420108350 890383522 /nfs/dbraw/zinc/38/35/22/890383522.db2.gz LMSRHWUMBOEZMO-JTQLQIEISA-N 0 3 275.349 -1.434 20 0 CAADHN Cc1cncc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c1 ZINC001420108152 890383916 /nfs/dbraw/zinc/38/39/16/890383916.db2.gz KITQOOOZPAJAEA-MWLCHTKSSA-N 0 3 280.328 -1.056 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCOC1 ZINC001420116281 890388887 /nfs/dbraw/zinc/38/88/87/890388887.db2.gz VKIHGHPJOISRPM-NXEZZACHSA-N 0 3 273.333 -1.774 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001420127817 890400635 /nfs/dbraw/zinc/40/06/35/890400635.db2.gz VNDLFVTYLSZLKZ-SFYZADRCSA-N 0 3 284.320 -2.370 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1csnn1)C(N)=O ZINC001420157472 890402837 /nfs/dbraw/zinc/40/28/37/890402837.db2.gz NGFIDZGQLDVECD-NTSWFWBYSA-N 0 3 273.318 -1.908 20 0 CAADHN COc1csc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001420167686 890406264 /nfs/dbraw/zinc/40/62/64/890406264.db2.gz XSDKFOMNHOUJGP-SSDOTTSWSA-N 0 3 287.341 -1.078 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001420168044 890406294 /nfs/dbraw/zinc/40/62/94/890406294.db2.gz IEFXDLWLXUHXLN-YUMQZZPRSA-N 0 3 272.305 -2.841 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)C(F)(F)F ZINC001420167069 890406947 /nfs/dbraw/zinc/40/69/47/890406947.db2.gz FPODBYDGGFRLTE-WDSKDSINSA-N 0 3 271.239 -1.263 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)c1c[nH]c(=O)cn1 ZINC001420246265 890420361 /nfs/dbraw/zinc/42/03/61/890420361.db2.gz ZOTGDBFOXOPSBG-MRVPVSSYSA-N 0 3 281.316 -1.305 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)NC(=O)CNC(C)=O)C1=O ZINC001420247770 890421554 /nfs/dbraw/zinc/42/15/54/890421554.db2.gz AKFMYELPKUMYEB-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN Cc1ocnc1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001420268305 890421576 /nfs/dbraw/zinc/42/15/76/890421576.db2.gz ZBLFQQZCZBUUFF-ZCFIWIBFSA-N 0 3 283.288 -1.114 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CN1CCCC1=O)C(N)=O ZINC001420260812 890421710 /nfs/dbraw/zinc/42/17/10/890421710.db2.gz MLDUIHDDEGBBGX-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)CNC(=O)NC ZINC001420231211 890422783 /nfs/dbraw/zinc/42/27/83/890422783.db2.gz FBCARVIBQXJUMB-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001420268825 890423080 /nfs/dbraw/zinc/42/30/80/890423080.db2.gz JIYVQPRDUDPWLS-HTQZYQBOSA-N 0 3 270.333 -1.519 20 0 CAADHN CNC(=O)[C@H](NS(=O)(=O)N1CCNCC1)C(C)C ZINC000923629945 883996413 /nfs/dbraw/zinc/99/64/13/883996413.db2.gz LQYDKUMBUUNLQA-SECBINFHSA-N 0 3 278.378 -1.503 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)C1CNC1 ZINC000923627981 883996642 /nfs/dbraw/zinc/99/66/42/883996642.db2.gz YSEJARDDRPTPHB-MRVPVSSYSA-N 0 3 297.402 -1.698 20 0 CAADHN COC(=O)CC1(NS(=O)(=O)C2CNC2)CCOCC1 ZINC000923627994 883996777 /nfs/dbraw/zinc/99/67/77/883996777.db2.gz YYSJDIDJEKGFPP-UHFFFAOYSA-N 0 3 292.357 -1.010 20 0 CAADHN CC(C)(C(N)=O)N1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923627968 883996814 /nfs/dbraw/zinc/99/68/14/883996814.db2.gz VBSIVTGIFKUTAD-UHFFFAOYSA-N 0 3 290.389 -1.831 20 0 CAADHN CC(=O)NC[C@@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923612265 883996979 /nfs/dbraw/zinc/99/69/79/883996979.db2.gz JDUVFMJUWVPCIT-SECBINFHSA-N 0 3 277.346 -1.875 20 0 CAADHN CC(=O)NC[C@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923612266 883997152 /nfs/dbraw/zinc/99/71/52/883997152.db2.gz JDUVFMJUWVPCIT-VIFPVBQESA-N 0 3 277.346 -1.875 20 0 CAADHN CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)N1CCNCC1 ZINC000923605358 883997677 /nfs/dbraw/zinc/99/76/77/883997677.db2.gz OPNKYXVTLSAMQP-JTQLQIEISA-N 0 3 290.389 -1.407 20 0 CAADHN CCC(=O)N1CC[C@@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923628381 883997773 /nfs/dbraw/zinc/99/77/73/883997773.db2.gz MERCWGSYFUOMSO-SNVBAGLBSA-N 0 3 290.389 -1.263 20 0 CAADHN CCC(=O)N1CC[C@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923628376 883996342 /nfs/dbraw/zinc/99/63/42/883996342.db2.gz MERCWGSYFUOMSO-JTQLQIEISA-N 0 3 290.389 -1.263 20 0 CAADHN O=C1OCCN1CCCNS(=O)(=O)C1CNC1 ZINC000923605859 883997030 /nfs/dbraw/zinc/99/70/30/883997030.db2.gz ULBGWSRKSYQUTH-UHFFFAOYSA-N 0 3 263.319 -1.280 20 0 CAADHN CCn1nc2c(cc1=O)CN(S(=O)(=O)C1CNC1)CC2 ZINC000923628031 883997092 /nfs/dbraw/zinc/99/70/92/883997092.db2.gz ZXUGFXBUTCHIDM-UHFFFAOYSA-N 0 3 298.368 -1.077 20 0 CAADHN CCOC(=O)[C@@H](C)CNS(=O)(=O)N1CCNCC1 ZINC000923629374 883997270 /nfs/dbraw/zinc/99/72/70/883997270.db2.gz UOYZASNQYUDIHN-VIFPVBQESA-N 0 3 279.362 -1.075 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000938827478 883998766 /nfs/dbraw/zinc/99/87/66/883998766.db2.gz VBLYHQOWDGIRJL-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC000986752052 884005086 /nfs/dbraw/zinc/00/50/86/884005086.db2.gz XKXONXASYGOVIF-HTQZYQBOSA-N 0 3 279.300 -1.552 20 0 CAADHN C[C@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1nc[n-]n1 ZINC000987204472 884006428 /nfs/dbraw/zinc/00/64/28/884006428.db2.gz SUZSAVWCLWVRKQ-NKWVEPMBSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC000987181429 884007014 /nfs/dbraw/zinc/00/70/14/884007014.db2.gz VNUMKTNYXFSAEV-APPZFPTMSA-N 0 3 296.327 -1.897 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CC(=O)NC1=O ZINC000987187043 884007323 /nfs/dbraw/zinc/00/73/23/884007323.db2.gz AEKGEUVFGRPSKB-SFYZADRCSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1nc[n-]n1 ZINC000987204476 884007740 /nfs/dbraw/zinc/00/77/40/884007740.db2.gz SUZSAVWCLWVRKQ-RQJHMYQMSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CC(=O)NC1=O ZINC000987187041 884008471 /nfs/dbraw/zinc/00/84/71/884008471.db2.gz AEKGEUVFGRPSKB-JGVFFNPUSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CC(=O)NC1=O ZINC000987187044 884008555 /nfs/dbraw/zinc/00/85/55/884008555.db2.gz AEKGEUVFGRPSKB-YUMQZZPRSA-N 0 3 297.315 -2.398 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@@H]1COC(=O)N1 ZINC001083439434 884028198 /nfs/dbraw/zinc/02/81/98/884028198.db2.gz BPQCJSIYQDOCDR-UTLUCORTSA-N 0 3 269.301 -1.334 20 0 CAADHN C[C@@H](NCc1cn(C)nn1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001047951713 884021108 /nfs/dbraw/zinc/02/11/08/884021108.db2.gz VAOFDORCBCADHX-BDAKNGLRSA-N 0 3 280.332 -1.373 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083434241 884026571 /nfs/dbraw/zinc/02/65/71/884026571.db2.gz XHXGEFLPKLCCCX-HLTSFMKQSA-N 0 3 257.290 -1.336 20 0 CAADHN CCCCN1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001083419120 884027916 /nfs/dbraw/zinc/02/79/16/884027916.db2.gz QHQPGLUOPVCKIH-ZJUUUORDSA-N 0 3 283.332 -1.055 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083433762 884028735 /nfs/dbraw/zinc/02/87/35/884028735.db2.gz BGEQZDIDSWFZNA-HLTSFMKQSA-N 0 3 257.290 -1.334 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083434203 884028820 /nfs/dbraw/zinc/02/88/20/884028820.db2.gz WEVKPSYAUIWXDL-BBBLOLIVSA-N 0 3 271.317 -1.088 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@H]1CCNC1=O ZINC001083698524 884030060 /nfs/dbraw/zinc/03/00/60/884030060.db2.gz LZCMJPLWJPNKPN-AXFHLTTASA-N 0 3 267.329 -1.306 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001266800109 884087896 /nfs/dbraw/zinc/08/78/96/884087896.db2.gz MVWFHVZTLXSDAZ-SFYZADRCSA-N 0 3 258.322 -1.580 20 0 CAADHN CC[C@@]1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCNC1=O ZINC001114428743 884043771 /nfs/dbraw/zinc/04/37/71/884043771.db2.gz KPSNZMCVIUYYTI-YAMSLAJTSA-N 0 3 281.356 -1.059 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN(CCOC[C@@H]3CCCO3)C[C@H]21 ZINC001114752694 884046166 /nfs/dbraw/zinc/04/61/66/884046166.db2.gz JSLPBYIYDYNWSW-NNYUYHANSA-N 0 3 297.355 -1.286 20 0 CAADHN COCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752423 884046988 /nfs/dbraw/zinc/04/69/88/884046988.db2.gz CYQZOLGTBMOZJH-MYJAWHEDSA-N 0 3 271.317 -1.819 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)[C@H]1CNC(=O)N1 ZINC001114745498 884046704 /nfs/dbraw/zinc/04/67/04/884046704.db2.gz AYCLRYGALNRQCA-YTWAJWBKSA-N 0 3 298.343 -2.277 20 0 CAADHN CCN(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC001114988284 884047602 /nfs/dbraw/zinc/04/76/02/884047602.db2.gz BTVVYWUOSVQXKG-JZYVYDRUSA-N 0 3 292.343 -1.057 20 0 CAADHN CCN(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC001114988284 884047619 /nfs/dbraw/zinc/04/76/19/884047619.db2.gz BTVVYWUOSVQXKG-JZYVYDRUSA-N 0 3 292.343 -1.057 20 0 CAADHN CCN(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC001114988284 884047635 /nfs/dbraw/zinc/04/76/35/884047635.db2.gz BTVVYWUOSVQXKG-JZYVYDRUSA-N 0 3 292.343 -1.057 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001115219415 884049065 /nfs/dbraw/zinc/04/90/65/884049065.db2.gz XNCDEPKHXHYNGW-QCBRBAQYSA-N 0 3 295.343 -2.020 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCc1nnnn1C1CC1 ZINC001117518580 884051051 /nfs/dbraw/zinc/05/10/51/884051051.db2.gz PFRGPWSDIFUROK-UHFFFAOYSA-N 0 3 295.347 -1.356 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001124172192 884053181 /nfs/dbraw/zinc/05/31/81/884053181.db2.gz HGUVSDQBHJASHW-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN O=C(CNCCNC(=O)c1ccon1)N1CCOCC1 ZINC001124191552 884053041 /nfs/dbraw/zinc/05/30/41/884053041.db2.gz PEZDQGDUENSMFC-UHFFFAOYSA-N 0 3 282.300 -1.147 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cnsn1 ZINC001124160008 884053424 /nfs/dbraw/zinc/05/34/24/884053424.db2.gz ZBWGPECFTJJJLG-LURJTMIESA-N 0 3 283.313 -1.337 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cnns1 ZINC001124163524 884053559 /nfs/dbraw/zinc/05/35/59/884053559.db2.gz OBAOBYCCAOFAFW-ZCFIWIBFSA-N 0 3 283.313 -1.337 20 0 CAADHN CC[C@H](NCCNC(=O)CNC(=O)OC)C(N)=O ZINC001124176425 884053590 /nfs/dbraw/zinc/05/35/90/884053590.db2.gz HDAHAPHMFNHUSO-ZETCQYMHSA-N 0 3 260.294 -1.688 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cnns1 ZINC001124163415 884054113 /nfs/dbraw/zinc/05/41/13/884054113.db2.gz LLDVKBVSFQMERL-ZCFIWIBFSA-N 0 3 255.303 -1.254 20 0 CAADHN CN(C(=O)CNCCNC(=O)c1cn(C)nn1)C1CC1 ZINC001126657228 884055072 /nfs/dbraw/zinc/05/50/72/884055072.db2.gz AKAAYBILDUNTSV-UHFFFAOYSA-N 0 3 280.332 -1.245 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)N2CCCC2)nn1 ZINC001126658832 884055235 /nfs/dbraw/zinc/05/52/35/884055235.db2.gz WTJIWFKDMHBQQS-UHFFFAOYSA-N 0 3 280.332 -1.243 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)c2cn(C)nn2)C1=O ZINC001126655064 884055487 /nfs/dbraw/zinc/05/54/87/884055487.db2.gz YLUODZSVZJIOLB-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@@H](C(=O)NCCN[C@H]1CCN(C)C1=O)n1cncn1 ZINC001125919227 884056322 /nfs/dbraw/zinc/05/63/22/884056322.db2.gz VDTNNFHZDPJMMY-UWVGGRQHSA-N 0 3 280.332 -1.224 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)n1cncn1)C(=O)NC(N)=O ZINC001125918600 884056373 /nfs/dbraw/zinc/05/63/73/884056373.db2.gz OVFRBORAGKQDIO-SFYZADRCSA-N 0 3 297.319 -1.872 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)n1cncn1)C(=O)NC(N)=O ZINC001125918602 884056458 /nfs/dbraw/zinc/05/64/58/884056458.db2.gz OVFRBORAGKQDIO-YUMQZZPRSA-N 0 3 297.319 -1.872 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](C)n1cncn1 ZINC001125919142 884056851 /nfs/dbraw/zinc/05/68/51/884056851.db2.gz SRLOWRZUQQVLHE-IUCAKERBSA-N 0 3 268.321 -1.321 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCN(C)C2=O)nn1 ZINC001126657806 884057198 /nfs/dbraw/zinc/05/71/98/884057198.db2.gz ICILLGFIJMNDSX-QMMMGPOBSA-N 0 3 266.305 -1.635 20 0 CAADHN NC(=O)c1ncn(CC(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001127653029 884058780 /nfs/dbraw/zinc/05/87/80/884058780.db2.gz JMJZLJCYVHNNBD-SSDOTTSWSA-N 0 3 295.303 -3.029 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cn2c(n1)CCC2 ZINC001127633022 884059487 /nfs/dbraw/zinc/05/94/87/884059487.db2.gz LSJPEPAINLBTTD-UHFFFAOYSA-N 0 3 294.315 -1.656 20 0 CAADHN C[C@@H](NC(=O)C1CCC1)C(=O)NCCN[C@@H]1CCNC1=O ZINC001153693144 884062798 /nfs/dbraw/zinc/06/27/98/884062798.db2.gz PKPDDYQORUZMJW-MWLCHTKSSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001152508206 884063211 /nfs/dbraw/zinc/06/32/11/884063211.db2.gz IJVGGIYNGDUVTN-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C(C)(C)NC(=O)NC)C1 ZINC001188112307 884068826 /nfs/dbraw/zinc/06/88/26/884068826.db2.gz RZVMJWFATLDBEW-SECBINFHSA-N 0 3 299.375 -1.370 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C2CCC2)C1 ZINC001188118464 884068984 /nfs/dbraw/zinc/06/89/84/884068984.db2.gz WEPLMVKWXBGDMR-SNVBAGLBSA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@]1(O)COCCN(C[C@@H](O)CN2CCOCC2)C1 ZINC001251010102 884081840 /nfs/dbraw/zinc/08/18/40/884081840.db2.gz TVYIDKVTORRHHL-QWHCGFSZSA-N 0 3 274.361 -1.237 20 0 CAADHN CC(C)(C)OC(=O)[C@H](O)CN[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001253701646 884084513 /nfs/dbraw/zinc/08/45/13/884084513.db2.gz QEBBHBYBBNIKOD-ILAIQSSSSA-N 0 3 291.344 -1.619 20 0 CAADHN COCCNC(=O)c1cn(C[C@@H]2CNCCO2)nn1 ZINC001261847546 884086475 /nfs/dbraw/zinc/08/64/75/884086475.db2.gz ZSCKCDJFMDZVCP-VIFPVBQESA-N 0 3 269.305 -1.357 20 0 CAADHN CCCC[C@@H](N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(N)=O ZINC001263704499 884086918 /nfs/dbraw/zinc/08/69/18/884086918.db2.gz ZBNMCHBQENDLLJ-OPRDCNLKSA-N 0 3 284.360 -1.048 20 0 CAADHN CN(CCNCCF)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001266765212 884087600 /nfs/dbraw/zinc/08/76/00/884087600.db2.gz QJKSCKQFHCOKQV-UHFFFAOYSA-N 0 3 272.280 -1.034 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001266797404 884087692 /nfs/dbraw/zinc/08/76/92/884087692.db2.gz AHBSFNBUOXEIMZ-MRVPVSSYSA-N 0 3 294.315 -1.420 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001266797405 884089458 /nfs/dbraw/zinc/08/94/58/884089458.db2.gz AHBSFNBUOXEIMZ-QMMMGPOBSA-N 0 3 294.315 -1.420 20 0 CAADHN CCCOCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001268302257 884090597 /nfs/dbraw/zinc/09/05/97/884090597.db2.gz WNFMJJOMKJXPQP-UWVGGRQHSA-N 0 3 273.333 -1.632 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C(N)=O)C(=O)NC1CC1 ZINC001268323916 884091550 /nfs/dbraw/zinc/09/15/50/884091550.db2.gz RESOXRFPXKGWRM-SVRRBLITSA-N 0 3 272.305 -2.795 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001268323560 884091924 /nfs/dbraw/zinc/09/19/24/884091924.db2.gz OXHJREVWWVHGRZ-RKDXNWHRSA-N 0 3 298.343 -2.451 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001268300175 884092173 /nfs/dbraw/zinc/09/21/73/884092173.db2.gz GNFIBHIHWLSACG-QMMMGPOBSA-N 0 3 269.305 -2.154 20 0 CAADHN Cc1ncsc1CNC[C@@H](O)CNC(=O)C(N)=O ZINC001268324174 884092878 /nfs/dbraw/zinc/09/28/78/884092878.db2.gz SHCKDGCZTKDSMK-SSDOTTSWSA-N 0 3 272.330 -1.496 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C(N)=O)C(=O)NC1CC1 ZINC001268323914 884092910 /nfs/dbraw/zinc/09/29/10/884092910.db2.gz RESOXRFPXKGWRM-HTRCEHHLSA-N 0 3 272.305 -2.795 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnco1)C(N)=O ZINC001268319425 884093589 /nfs/dbraw/zinc/09/35/89/884093589.db2.gz XPWUGMMHTIKJRN-RNFRBKRXSA-N 0 3 256.262 -1.771 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1COC(=O)N1 ZINC001273989970 884099319 /nfs/dbraw/zinc/09/93/19/884099319.db2.gz BATCTMRRLWYJDJ-HIYAPSCVSA-N 0 3 284.316 -1.509 20 0 CAADHN NC(=O)C(=O)NC1(CN[C@H]2CCCNC2=O)CCOCC1 ZINC001273996010 884100361 /nfs/dbraw/zinc/10/03/61/884100361.db2.gz WFDPISDPDJEFCP-VIFPVBQESA-N 0 3 298.343 -1.995 20 0 CAADHN CN1CC[C@H](NC/C=C\CNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001273990211 884101147 /nfs/dbraw/zinc/10/11/47/884101147.db2.gz CEJIAZVPWIXQMG-ADLDAWLNSA-N 0 3 296.327 -1.413 20 0 CAADHN CN(CCC(N)=O)CC1(O)CCS(=O)(=O)CC1 ZINC001307747274 884124155 /nfs/dbraw/zinc/12/41/55/884124155.db2.gz HSGNZIDHULFMHG-UHFFFAOYSA-N 0 3 264.347 -1.267 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)c1cc2n(n1)CCO2 ZINC001278092795 884106015 /nfs/dbraw/zinc/10/60/15/884106015.db2.gz CIFYRDYUUHIXHG-JTQLQIEISA-N 0 3 298.343 -1.008 20 0 CAADHN CN1CC[C@H](C(=O)N(CCO)CCNCC(N)=O)C1=O ZINC001279800655 884107271 /nfs/dbraw/zinc/10/72/71/884107271.db2.gz JYRAKHUUPBJMLQ-VIFPVBQESA-N 0 3 286.332 -2.640 20 0 CAADHN CN(C[C@H](O)CNC/C=C/Cl)C(=O)Cn1cnnn1 ZINC001278731194 884107682 /nfs/dbraw/zinc/10/76/82/884107682.db2.gz IAMLTANUALXKAT-GKQMSVHHSA-N 0 3 288.739 -1.166 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CC1CC1 ZINC001278722186 884108144 /nfs/dbraw/zinc/10/81/44/884108144.db2.gz SNCFTOONSYIKSQ-JTQLQIEISA-N 0 3 257.334 -1.059 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)C1CC1 ZINC001278721335 884108707 /nfs/dbraw/zinc/10/87/07/884108707.db2.gz OEHQVJOMOPESOL-WCBMZHEXSA-N 0 3 257.334 -1.060 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccn(C)c1 ZINC001278742776 884108746 /nfs/dbraw/zinc/10/87/46/884108746.db2.gz GKWJERVQPGLMDF-JTQLQIEISA-N 0 3 268.317 -1.467 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@H](O)[C@H](CO)C1 ZINC001306854635 884121527 /nfs/dbraw/zinc/12/15/27/884121527.db2.gz MEGUYJCVVJJOID-SRVKXCTJSA-N 0 3 269.345 -1.812 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001307731158 884123865 /nfs/dbraw/zinc/12/38/65/884123865.db2.gz BRVRXRKIUSJKMD-LAEOZQHASA-N 0 3 257.290 -1.598 20 0 CAADHN NC(=O)NC(=O)CCN1CCCN(C(N)=O)CC1 ZINC001307445867 884124287 /nfs/dbraw/zinc/12/42/87/884124287.db2.gz KCEMMJGWAPNTLV-UHFFFAOYSA-N 0 3 257.294 -1.342 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001307731155 884124977 /nfs/dbraw/zinc/12/49/77/884124977.db2.gz BRVRXRKIUSJKMD-DKCNOQQISA-N 0 3 257.290 -1.598 20 0 CAADHN CS(=O)(=O)NC[C@H]1CCN(C[C@H](O)CO)C1 ZINC001308060146 884127727 /nfs/dbraw/zinc/12/77/27/884127727.db2.gz QXAJMJGAZKCVAQ-BDAKNGLRSA-N 0 3 252.336 -1.789 20 0 CAADHN NC(=O)[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1C(N)=O ZINC001307930805 884128774 /nfs/dbraw/zinc/12/87/74/884128774.db2.gz VDQOCGLJOUQCLS-BWZBUEFSSA-N 0 3 254.290 -2.216 20 0 CAADHN C[C@H](O)[C@H](O)CN1CC[C@@H](CS(N)(=O)=O)C1 ZINC001308128249 884131242 /nfs/dbraw/zinc/13/12/42/884131242.db2.gz NJYJHDLFIUDXLL-DJLDLDEBSA-N 0 3 252.336 -1.662 20 0 CAADHN NC(=O)Cn1cc(CNC[C@H]2CNC(=O)C2)nn1 ZINC001308436149 884132104 /nfs/dbraw/zinc/13/21/04/884132104.db2.gz HOSBJOAZRGEKNC-ZETCQYMHSA-N 0 3 252.278 -2.011 20 0 CAADHN NC(=O)C(=O)NC[C@H]1C[C@@H](NCC(=O)Nc2ccon2)C1 ZINC001316620034 884150608 /nfs/dbraw/zinc/15/06/08/884150608.db2.gz BGHMQQAJIZORHT-OCAPTIKFSA-N 0 3 295.299 -1.417 20 0 CAADHN CN(CCOCC[N@H+](C)CCO)C(=O)c1nc[n-]n1 ZINC001316764526 884152141 /nfs/dbraw/zinc/15/21/41/884152141.db2.gz BIBAKZCNJILVGN-UHFFFAOYSA-N 0 3 271.321 -1.183 20 0 CAADHN CN(CCOCC[N@@H+](C)CCO)C(=O)c1nc[n-]n1 ZINC001316764526 884152155 /nfs/dbraw/zinc/15/21/55/884152155.db2.gz BIBAKZCNJILVGN-UHFFFAOYSA-N 0 3 271.321 -1.183 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@H]1COC(=O)N1 ZINC001316821149 884153198 /nfs/dbraw/zinc/15/31/98/884153198.db2.gz MFWAMECLQKCNRF-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@@H]1COC(=O)N1 ZINC001316821150 884153585 /nfs/dbraw/zinc/15/35/85/884153585.db2.gz MFWAMECLQKCNRF-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CCN1CCOCCO ZINC001316792080 884154596 /nfs/dbraw/zinc/15/45/96/884154596.db2.gz CYQQONPUVINQTH-WYUUTHIRSA-N 0 3 299.371 -1.304 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001316848908 884159446 /nfs/dbraw/zinc/15/94/46/884159446.db2.gz MVTIJGMCNQFQRG-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)[C@@H](C)N(C)CCCNC(=O)Cc1nc[nH]n1 ZINC001316858929 884160943 /nfs/dbraw/zinc/16/09/43/884160943.db2.gz GIAGXUFWLDGSFZ-SECBINFHSA-N 0 3 282.348 -1.080 20 0 CAADHN CCNC(=O)CC(=O)N[C@H]1CCN(C[C@@H](O)COC)C1 ZINC001316975863 884162606 /nfs/dbraw/zinc/16/26/06/884162606.db2.gz MKWSUJJVQAARKP-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H](CC(=O)N[C@H]1CCN(CCO)C1)NC(N)=O ZINC001316978112 884162480 /nfs/dbraw/zinc/16/24/80/884162480.db2.gz PVNPONSZIBDTST-BDAKNGLRSA-N 0 3 258.322 -1.384 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(CCCO)C1 ZINC001316976926 884164756 /nfs/dbraw/zinc/16/47/56/884164756.db2.gz VVTCRSOVJRHVCJ-DTWKUNHWSA-N 0 3 258.322 -1.384 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001316980618 884165122 /nfs/dbraw/zinc/16/51/22/884165122.db2.gz OZOUWWMFXAPBKH-RKDXNWHRSA-N 0 3 258.322 -1.513 20 0 CAADHN CC(C)(C(N)=O)C(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001317014956 884166972 /nfs/dbraw/zinc/16/69/72/884166972.db2.gz DUEZOUADRZWEIC-NXEZZACHSA-N 0 3 296.371 -1.129 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001317012592 884167346 /nfs/dbraw/zinc/16/73/46/884167346.db2.gz SPFMJWFWTDZGAF-RKDXNWHRSA-N 0 3 268.317 -1.765 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001317058841 884167622 /nfs/dbraw/zinc/16/76/22/884167622.db2.gz KDFJYQDGGIERHL-QMMMGPOBSA-N 0 3 266.305 -1.255 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001317021899 884167667 /nfs/dbraw/zinc/16/76/67/884167667.db2.gz LOMJYISHZRAQFO-WDEREUQCSA-N 0 3 296.371 -1.305 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)CC(N)=O)C1CC1 ZINC001317010995 884167698 /nfs/dbraw/zinc/16/76/98/884167698.db2.gz IGGCVTUWOJLMKD-SECBINFHSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H]2CCN(C[C@H](O)COC)C2)CC1 ZINC001316987221 884168174 /nfs/dbraw/zinc/16/81/74/884168174.db2.gz AWJMMLRHQKFCNJ-QWRGUYRKSA-N 0 3 299.371 -1.290 20 0 CAADHN CCCNC(=O)CN[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001317022541 884168944 /nfs/dbraw/zinc/16/89/44/884168944.db2.gz HLJAKMBKPCLMHD-SECBINFHSA-N 0 3 270.333 -1.518 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001317012591 884169263 /nfs/dbraw/zinc/16/92/63/884169263.db2.gz SPFMJWFWTDZGAF-BDAKNGLRSA-N 0 3 268.317 -1.765 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)CC(N)=O)C1CC1 ZINC001317010997 884169363 /nfs/dbraw/zinc/16/93/63/884169363.db2.gz IGGCVTUWOJLMKD-VIFPVBQESA-N 0 3 270.333 -1.566 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001317021896 884169765 /nfs/dbraw/zinc/16/97/65/884169765.db2.gz LOMJYISHZRAQFO-GHMZBOCLSA-N 0 3 296.371 -1.305 20 0 CAADHN COC[C@@H](OC)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001317062837 884169903 /nfs/dbraw/zinc/16/99/03/884169903.db2.gz STGRPVBHCHDHPR-DTWKUNHWSA-N 0 3 259.306 -1.676 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)CC(N)=O ZINC001317184822 884174617 /nfs/dbraw/zinc/17/46/17/884174617.db2.gz OKENRAQBEBQXCD-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001317223908 884177720 /nfs/dbraw/zinc/17/77/20/884177720.db2.gz GDKRQMZAETVDJN-JGVFFNPUSA-N 0 3 258.322 -1.649 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)CC(N)=O ZINC001317184814 884176059 /nfs/dbraw/zinc/17/60/59/884176059.db2.gz OGPYLUPCZPIGHP-MRVPVSSYSA-N 0 3 256.306 -1.682 20 0 CAADHN NC(=O)C(=O)N[C@H]1C[C@@H](NCC(=O)Nc2cnccn2)C1 ZINC001317119207 884176199 /nfs/dbraw/zinc/17/61/99/884176199.db2.gz LQCSPDFMIUKPKF-OCAPTIKFSA-N 0 3 292.299 -1.863 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)c1cnnn1C)C(N)=O ZINC001317237411 884177913 /nfs/dbraw/zinc/17/79/13/884177913.db2.gz YLJXCXYVKJLVTG-JGVFFNPUSA-N 0 3 268.321 -1.213 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001317229515 884178240 /nfs/dbraw/zinc/17/82/40/884178240.db2.gz OWALTJKYQHPBCT-HTQZYQBOSA-N 0 3 256.306 -1.895 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001317234966 884178531 /nfs/dbraw/zinc/17/85/31/884178531.db2.gz JXKFYFPWNAIUEV-SFYZADRCSA-N 0 3 268.321 -1.343 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CNC(=O)OC ZINC001317226165 884178736 /nfs/dbraw/zinc/17/87/36/884178736.db2.gz CGPKBIQIKHDIAI-ZETCQYMHSA-N 0 3 260.294 -1.817 20 0 CAADHN C[C@H](CNC(=O)Cc1cc[nH]n1)N[C@H]1CCC(=O)NC1=O ZINC001317232868 884178769 /nfs/dbraw/zinc/17/87/69/884178769.db2.gz VJWUQSLQBXCPSD-SCZZXKLOSA-N 0 3 293.327 -1.148 20 0 CAADHN Cc1nnc(CC(=O)NC[C@@H](C)N[C@H](C)C(N)=O)o1 ZINC001317236363 884179002 /nfs/dbraw/zinc/17/90/02/884179002.db2.gz RUQQAPWPRHPYRF-RNFRBKRXSA-N 0 3 269.305 -1.111 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)c1cnnn1C)C(N)=O ZINC001317237410 884179052 /nfs/dbraw/zinc/17/90/52/884179052.db2.gz YLJXCXYVKJLVTG-HTQZYQBOSA-N 0 3 268.321 -1.213 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)Cn1cnnn1)C(N)=O ZINC001317224523 884179091 /nfs/dbraw/zinc/17/90/91/884179091.db2.gz JFQDRWSBTNVIRJ-SFYZADRCSA-N 0 3 269.309 -1.969 20 0 CAADHN C[C@@H](CNC(=O)Cc1cc[nH]n1)N[C@@H]1CCC(=O)NC1=O ZINC001317232869 884179276 /nfs/dbraw/zinc/17/92/76/884179276.db2.gz VJWUQSLQBXCPSD-WCBMZHEXSA-N 0 3 293.327 -1.148 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001317223907 884179342 /nfs/dbraw/zinc/17/93/42/884179342.db2.gz GDKRQMZAETVDJN-HTQZYQBOSA-N 0 3 258.322 -1.649 20 0 CAADHN C[C@H](CNC(=O)CC(N)=O)NCC(=O)NCc1ccco1 ZINC001317231371 884179371 /nfs/dbraw/zinc/17/93/71/884179371.db2.gz MTEOIANRAGHOAN-SECBINFHSA-N 0 3 296.327 -1.135 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CNC(=O)OC ZINC001317226164 884179496 /nfs/dbraw/zinc/17/94/96/884179496.db2.gz CGPKBIQIKHDIAI-SSDOTTSWSA-N 0 3 260.294 -1.817 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H](C)n1cncn1 ZINC001317234319 884179760 /nfs/dbraw/zinc/17/97/60/884179760.db2.gz MGUUHRCIHGYGIO-RKDXNWHRSA-N 0 3 268.321 -1.321 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cnn(C)c1N ZINC001317232223 884179792 /nfs/dbraw/zinc/17/97/92/884179792.db2.gz CKKJZGZMPUJHAN-ZETCQYMHSA-N 0 3 268.321 -1.544 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCNC1=O)NCCS(C)(=O)=O ZINC001317259440 884181120 /nfs/dbraw/zinc/18/11/20/884181120.db2.gz WITDZNWPEAXEPE-RKDXNWHRSA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@H](CNC(=O)C1(C(N)=O)CC1)NCC(=O)N(C)C ZINC001317268485 884181300 /nfs/dbraw/zinc/18/13/00/884181300.db2.gz NUZMCUZMEJTTQF-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)NCCNS(C)(=O)=O ZINC001317267918 884181634 /nfs/dbraw/zinc/18/16/34/884181634.db2.gz ZQNRNCCSSBLENN-ZCFIWIBFSA-N 0 3 266.323 -2.885 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001317252685 884181824 /nfs/dbraw/zinc/18/18/24/884181824.db2.gz BYKSJPCONNHDOJ-BQBZGAKWSA-N 0 3 257.294 -2.410 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001317261198 884181885 /nfs/dbraw/zinc/18/18/85/884181885.db2.gz FJBREUWYSJULMG-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccnnc1 ZINC001317269045 884182082 /nfs/dbraw/zinc/18/20/82/884182082.db2.gz DFVOBLBUCVHVPS-QMMMGPOBSA-N 0 3 251.290 -1.070 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)NCC(N)=O ZINC001317258152 884182131 /nfs/dbraw/zinc/18/21/31/884182131.db2.gz HUJNMLYPDSBEOA-MRVPVSSYSA-N 0 3 266.301 -1.422 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCNC1=O)NCCS(C)(=O)=O ZINC001317259418 884182364 /nfs/dbraw/zinc/18/23/64/884182364.db2.gz WITDZNWPEAXEPE-BDAKNGLRSA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001317252708 884182397 /nfs/dbraw/zinc/18/23/97/884182397.db2.gz BYKSJPCONNHDOJ-RQJHMYQMSA-N 0 3 257.294 -2.410 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001317252702 884182626 /nfs/dbraw/zinc/18/26/26/884182626.db2.gz BYKSJPCONNHDOJ-NKWVEPMBSA-N 0 3 257.294 -2.410 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccnnc1 ZINC001317269034 884183466 /nfs/dbraw/zinc/18/34/66/884183466.db2.gz DFVOBLBUCVHVPS-MRVPVSSYSA-N 0 3 251.290 -1.070 20 0 CAADHN C[C@@H](CNC(=O)Cc1ncc[nH]1)N[C@H]1CCC(=O)NC1=O ZINC001317278414 884184453 /nfs/dbraw/zinc/18/44/53/884184453.db2.gz DFCXSWZFEYKHCS-IUCAKERBSA-N 0 3 293.327 -1.148 20 0 CAADHN C[C@H](CNC(=O)c1cnon1)N[C@@H]1CCC(=O)NC1=O ZINC001317274675 884184678 /nfs/dbraw/zinc/18/46/78/884184678.db2.gz CTYJGIXLJQIEOT-RNFRBKRXSA-N 0 3 281.272 -1.417 20 0 CAADHN C[C@@H](CNC(=O)c1ccncn1)N[C@H]1CCC(=O)NC1=O ZINC001317276780 884184734 /nfs/dbraw/zinc/18/47/34/884184734.db2.gz NLQZOXNFJFAIBA-WPRPVWTQSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)N[C@H](C)C(N)=O ZINC001317277518 884185209 /nfs/dbraw/zinc/18/52/09/884185209.db2.gz QNHQEZVLOJRLQH-RNFRBKRXSA-N 0 3 284.316 -1.993 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)C(=O)NCC1CC1)C(N)=O ZINC001317280322 884185179 /nfs/dbraw/zinc/18/51/79/884185179.db2.gz KOBQFZFAKQQPMG-PSASIEDQSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCCN(C)C1=O)NCC(N)=O ZINC001317282297 884185455 /nfs/dbraw/zinc/18/54/55/884185455.db2.gz HRSRXRXLUFXUPG-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)CN1C(=O)CCC1=O)N[C@H]1CCNC1=O ZINC001317281429 884185510 /nfs/dbraw/zinc/18/55/10/884185510.db2.gz CUFIJKGFISCZBM-BDAKNGLRSA-N 0 3 296.327 -1.882 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCCN(C)C1=O)NCC(N)=O ZINC001317282295 884185647 /nfs/dbraw/zinc/18/56/47/884185647.db2.gz HRSRXRXLUFXUPG-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)c1ccncn1)N[C@H]1CCC(=O)NC1=O ZINC001317276776 884185970 /nfs/dbraw/zinc/18/59/70/884185970.db2.gz NLQZOXNFJFAIBA-SCZZXKLOSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@@H](CNC(=O)Cc1ncc[nH]1)N[C@@H]1CCC(=O)NC1=O ZINC001317278412 884186100 /nfs/dbraw/zinc/18/61/00/884186100.db2.gz DFCXSWZFEYKHCS-DTWKUNHWSA-N 0 3 293.327 -1.148 20 0 CAADHN C[C@H](CNC(=O)CN1C(=O)CCC1=O)N[C@@H]1CCNC1=O ZINC001317281461 884186268 /nfs/dbraw/zinc/18/62/68/884186268.db2.gz CUFIJKGFISCZBM-RKDXNWHRSA-N 0 3 296.327 -1.882 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccnc1)N[C@@H]1CCC(=O)NC1=O ZINC001317291266 884186315 /nfs/dbraw/zinc/18/63/15/884186315.db2.gz WEQFUMJDAKRSQF-VHSXEESVSA-N 0 3 293.327 -1.217 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001317288657 884186372 /nfs/dbraw/zinc/18/63/72/884186372.db2.gz IDZOYCIOIRJPOJ-CAHLUQPWSA-N 0 3 255.278 -1.040 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](C)NCC(=O)N2CCC2)CC1 ZINC001317278925 884187026 /nfs/dbraw/zinc/18/70/26/884187026.db2.gz VTDFNWVDXHCMGX-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)C(=O)NCC2CC2)C1)C(N)=O ZINC001317308982 884188533 /nfs/dbraw/zinc/18/85/33/884188533.db2.gz ISKCRYSJHISKPL-QWRGUYRKSA-N 0 3 296.371 -1.033 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001317303128 884188729 /nfs/dbraw/zinc/18/87/29/884188729.db2.gz KKKOQPFNBJHVKE-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CC[C@]1(C(=O)N2CC[C@H](NCC(=O)NC)C2)CCNC1=O ZINC001317301010 884189136 /nfs/dbraw/zinc/18/91/36/884189136.db2.gz PHHJGPKRLTZQMQ-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001317297086 884189783 /nfs/dbraw/zinc/18/97/83/884189783.db2.gz NJNLRKMAYYZZLP-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN COc1nccc(CN[C@H](C)CCNC(=O)C(N)=O)n1 ZINC001317406393 884192467 /nfs/dbraw/zinc/19/24/67/884192467.db2.gz UCHFIIKMUUFQEB-MRVPVSSYSA-N 0 3 281.316 -1.045 20 0 CAADHN C[C@H](CCNC(=O)C(N)=O)NCC(=O)Nc1ccon1 ZINC001317405697 884192559 /nfs/dbraw/zinc/19/25/59/884192559.db2.gz NICBSAGHMKNBTR-SSDOTTSWSA-N 0 3 283.288 -1.417 20 0 CAADHN CN(CCNC(=O)CC(N)=O)CCc1cnn(C)c1 ZINC001317442166 884195273 /nfs/dbraw/zinc/19/52/73/884195273.db2.gz YDOKBTUEUHFJOQ-UHFFFAOYSA-N 0 3 267.333 -1.114 20 0 CAADHN CN(CCCO)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001317453895 884197309 /nfs/dbraw/zinc/19/73/09/884197309.db2.gz TXCHSJWPWWHUQU-SNVBAGLBSA-N 0 3 257.334 -1.057 20 0 CAADHN NC(=O)C(=O)NC[C@H]1CCCN1C[C@@H](O)Cn1cccn1 ZINC001317509592 884207422 /nfs/dbraw/zinc/20/74/22/884207422.db2.gz SJTUZNATVNOFHV-GHMZBOCLSA-N 0 3 295.343 -1.690 20 0 CAADHN CCN(CCNC(=O)c1nnn(C)n1)CCOC ZINC001317485933 884207793 /nfs/dbraw/zinc/20/77/93/884207793.db2.gz YANJCWDVGWWRPE-UHFFFAOYSA-N 0 3 256.310 -1.092 20 0 CAADHN CCN(CCNC(=O)C(N)=O)Cc1ccn(C)c(=O)c1 ZINC001317484105 884210170 /nfs/dbraw/zinc/21/01/70/884210170.db2.gz NUEICJRAPAFPLG-UHFFFAOYSA-N 0 3 280.328 -1.191 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1cn[nH]c1 ZINC001317568187 884212798 /nfs/dbraw/zinc/21/27/98/884212798.db2.gz CIMFUMBSHSNFQZ-UHFFFAOYSA-N 0 3 282.304 -1.473 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)CCNC(=O)NC ZINC001317581961 884219796 /nfs/dbraw/zinc/21/97/96/884219796.db2.gz BXXCTKJOUYVEOT-UHFFFAOYSA-N 0 3 287.364 -1.510 20 0 CAADHN CN(CCNCC(=O)NCC1CC1)C(=O)[C@@H]1COC(=O)N1 ZINC001317583410 884220256 /nfs/dbraw/zinc/22/02/56/884220256.db2.gz NCXSUPWDLSXLKQ-JTQLQIEISA-N 0 3 298.343 -1.331 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)CCn1ccnn1 ZINC001317581894 884220978 /nfs/dbraw/zinc/22/09/78/884220978.db2.gz XBPQCSOWBKEJDN-UHFFFAOYSA-N 0 3 294.359 -1.052 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cnnn1C)C(N)=O ZINC001317583364 884222240 /nfs/dbraw/zinc/22/22/40/884222240.db2.gz KAPFYLAMWHUHSP-ZETCQYMHSA-N 0 3 254.294 -1.650 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001317571191 884222303 /nfs/dbraw/zinc/22/23/03/884222303.db2.gz RHMDSNNDNDAAIE-SNVBAGLBSA-N 0 3 298.343 -1.682 20 0 CAADHN Cc1nc(C(=O)N(C)CCNCC(=O)NC(N)=O)c[nH]1 ZINC001317573430 884222858 /nfs/dbraw/zinc/22/28/58/884222858.db2.gz ICBOAGUYZZATDQ-UHFFFAOYSA-N 0 3 282.304 -1.425 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cnn(C)c1N)C(N)=O ZINC001317578921 884222564 /nfs/dbraw/zinc/22/25/64/884222564.db2.gz FSQJWTPWJBLVOZ-ZETCQYMHSA-N 0 3 268.321 -1.462 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001317590823 884222771 /nfs/dbraw/zinc/22/27/71/884222771.db2.gz JJXMSXGALXZYCO-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001317571190 884223488 /nfs/dbraw/zinc/22/34/88/884223488.db2.gz RHMDSNNDNDAAIE-JTQLQIEISA-N 0 3 298.343 -1.682 20 0 CAADHN CN(CCNCC(=O)NCC1CC1)C(=O)CC(N)=O ZINC001317577991 884223904 /nfs/dbraw/zinc/22/39/04/884223904.db2.gz WINSBNXDODDZLZ-UHFFFAOYSA-N 0 3 270.333 -1.564 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001317604309 884224458 /nfs/dbraw/zinc/22/44/58/884224458.db2.gz SZIQZWBMAMIJNK-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1ccnc2n[nH]nc21 ZINC001317610071 884224785 /nfs/dbraw/zinc/22/47/85/884224785.db2.gz YUHFRCQKIRBUCT-UHFFFAOYSA-N 0 3 291.315 -1.240 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(C)CCNCCF ZINC001317602310 884225297 /nfs/dbraw/zinc/22/52/97/884225297.db2.gz SGARFMXLGHCVLD-UHFFFAOYSA-N 0 3 276.312 -1.744 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001317618362 884225658 /nfs/dbraw/zinc/22/56/58/884225658.db2.gz JJQYCJIAVZMKCL-ZJUUUORDSA-N 0 3 284.360 -1.318 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001317602363 884226177 /nfs/dbraw/zinc/22/61/77/884226177.db2.gz VGHSBOWADDCJLS-SECBINFHSA-N 0 3 270.333 -1.612 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001317602364 884226460 /nfs/dbraw/zinc/22/64/60/884226460.db2.gz VGHSBOWADDCJLS-VIFPVBQESA-N 0 3 270.333 -1.612 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001317623096 884227336 /nfs/dbraw/zinc/22/73/36/884227336.db2.gz KPVFRYZEYROCQM-SSDOTTSWSA-N 0 3 267.289 -1.695 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001317604311 884227237 /nfs/dbraw/zinc/22/72/37/884227237.db2.gz SZIQZWBMAMIJNK-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1nnn(C)n1 ZINC001317620312 884227511 /nfs/dbraw/zinc/22/75/11/884227511.db2.gz PFFKMUQOQQHKQN-UHFFFAOYSA-N 0 3 298.307 -2.673 20 0 CAADHN CC[C@]1(C(=O)N(C)CCN[C@@H](C)C(N)=O)CCNC1=O ZINC001317598996 884227903 /nfs/dbraw/zinc/22/79/03/884227903.db2.gz XCIGCMSFPZKUGS-ZANVPECISA-N 0 3 284.360 -1.176 20 0 CAADHN COc1cc(C(=O)N(C)CCNCC(N)=O)nn1C ZINC001317609216 884228134 /nfs/dbraw/zinc/22/81/34/884228134.db2.gz UMODTSWHFFLXAY-UHFFFAOYSA-N 0 3 269.305 -1.424 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001317607614 884228436 /nfs/dbraw/zinc/22/84/36/884228436.db2.gz FHHSLKDDQMUNRB-VIFPVBQESA-N 0 3 285.348 -1.690 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)[C@@H]1CCNC1=O ZINC001317618160 884228819 /nfs/dbraw/zinc/22/88/19/884228819.db2.gz GCGLBNYEUHSSOJ-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCN(C)C1=O ZINC001317621215 884228887 /nfs/dbraw/zinc/22/88/87/884228887.db2.gz HNMLQUOSQSAFSL-VHSXEESVSA-N 0 3 282.344 -1.599 20 0 CAADHN CC[C@@]1(C(=O)N(C)CCN[C@@H]2CCNC2=O)CCNC1=O ZINC001317598599 884228926 /nfs/dbraw/zinc/22/89/26/884228926.db2.gz SXCFLCPOTUXJDQ-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001317651438 884229990 /nfs/dbraw/zinc/22/99/90/884229990.db2.gz SFEWQEBIXONLPF-BDAKNGLRSA-N 0 3 268.317 -1.799 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001317623731 884230279 /nfs/dbraw/zinc/23/02/79/884230279.db2.gz OLARHTUCMDENQK-UHFFFAOYSA-N 0 3 269.305 -1.467 20 0 CAADHN CCc1nc[nH]c1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001317653647 884231257 /nfs/dbraw/zinc/23/12/57/884231257.db2.gz HZRWUQLCIFWXCZ-UHFFFAOYSA-N 0 3 296.331 -1.171 20 0 CAADHN Cc1nc(C)c(C(=O)N(C)CCNCC(=O)NC(N)=O)[nH]1 ZINC001317628329 884232122 /nfs/dbraw/zinc/23/21/22/884232122.db2.gz LGFKCHGENLOMCL-UHFFFAOYSA-N 0 3 296.331 -1.117 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001317635358 884232432 /nfs/dbraw/zinc/23/24/32/884232432.db2.gz DXUQSGXIPIBYBY-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN COCc1cc(C(=O)N(C)CCNCC(N)=O)no1 ZINC001317641475 884232528 /nfs/dbraw/zinc/23/25/28/884232528.db2.gz VVCHJUKXPIMVFH-UHFFFAOYSA-N 0 3 270.289 -1.032 20 0 CAADHN CN(CCNCc1cncn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001317631844 884232762 /nfs/dbraw/zinc/23/27/62/884232762.db2.gz BVNQINQXUDPBAP-JTQLQIEISA-N 0 3 280.332 -1.351 20 0 CAADHN CN(CCNCC(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001317640899 884233030 /nfs/dbraw/zinc/23/30/30/884233030.db2.gz XAIIXNJZXZNUPD-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CC[C@@H]([NH2+]CCN(C)C(=O)c1nc[n-]n1)C(N)=O ZINC001317640258 884233069 /nfs/dbraw/zinc/23/30/69/884233069.db2.gz RJBCTVRTNJEYAB-SSDOTTSWSA-N 0 3 254.294 -1.270 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001317663570 884235297 /nfs/dbraw/zinc/23/52/97/884235297.db2.gz IWAWXDPLKXIRGC-QMMMGPOBSA-N 0 3 292.361 -2.528 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001317663566 884235924 /nfs/dbraw/zinc/23/59/24/884235924.db2.gz IWAWXDPLKXIRGC-MRVPVSSYSA-N 0 3 292.361 -2.528 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)Cn1cncn1 ZINC001317661346 884238112 /nfs/dbraw/zinc/23/81/12/884238112.db2.gz PDKZONUYILQTHR-UHFFFAOYSA-N 0 3 283.292 -2.479 20 0 CAADHN CNC(=O)CN(CCCNC(=O)c1nnn(C)n1)C(C)C ZINC001317699206 884238412 /nfs/dbraw/zinc/23/84/12/884238412.db2.gz SSSGOMZCGKXWRF-UHFFFAOYSA-N 0 3 297.363 -1.214 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001317664258 884238776 /nfs/dbraw/zinc/23/87/76/884238776.db2.gz NUPLZSSDNKRVLQ-UHFFFAOYSA-N 0 3 281.316 -1.479 20 0 CAADHN CN(CC(=O)NC(N)=O)CC1CCN(C(=O)C(N)=O)CC1 ZINC001317876438 884243028 /nfs/dbraw/zinc/24/30/28/884243028.db2.gz XDJOHROXBQUGSC-UHFFFAOYSA-N 0 3 299.331 -2.163 20 0 CAADHN CNC(=O)C1(C(=O)NCC2CN(C[C@@H](O)COC)C2)CC1 ZINC001318161885 884255100 /nfs/dbraw/zinc/25/51/00/884255100.db2.gz SLAQKSWRNWFWCJ-LLVKDONJSA-N 0 3 299.371 -1.432 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001318153760 884255192 /nfs/dbraw/zinc/25/51/92/884255192.db2.gz AKVRBSKUHOVGHF-RNCFNFMXSA-N 0 3 269.345 -1.059 20 0 CAADHN NC(=O)C(=O)NCC1CN(CCCO[C@H]2CCOC2)C1 ZINC001318148837 884256694 /nfs/dbraw/zinc/25/66/94/884256694.db2.gz LHQLMZGXRJRBGP-NSHDSACASA-N 0 3 285.344 -1.285 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCC1CN(CCCO)C1 ZINC001318128745 884258186 /nfs/dbraw/zinc/25/81/86/884258186.db2.gz UVECJQOCUVUUAN-UHFFFAOYSA-N 0 3 257.334 -1.072 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001318257600 884261697 /nfs/dbraw/zinc/26/16/97/884261697.db2.gz PJQVAEFHXIFYPI-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001318231432 884262601 /nfs/dbraw/zinc/26/26/01/884262601.db2.gz LRJXXFAQNVSBQI-JTQLQIEISA-N 0 3 268.321 -1.100 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001318351719 884272015 /nfs/dbraw/zinc/27/20/15/884272015.db2.gz RJAANVQWKSGSTK-NXEZZACHSA-N 0 3 285.344 -1.550 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(C)nn1)NCC(=O)NC ZINC001318518589 884284612 /nfs/dbraw/zinc/28/46/12/884284612.db2.gz NEPLMBFTFCYNJP-QMMMGPOBSA-N 0 3 268.321 -1.341 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NCC(=O)NC1CC1 ZINC001318566651 884285152 /nfs/dbraw/zinc/28/51/52/884285152.db2.gz CZEHQZLXZKWQER-ZETCQYMHSA-N 0 3 256.306 -1.765 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001318555871 884286125 /nfs/dbraw/zinc/28/61/25/884286125.db2.gz OJVSRSFIWZYJQY-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001318555870 884286277 /nfs/dbraw/zinc/28/62/77/884286277.db2.gz OJVSRSFIWZYJQY-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](CNC(=O)c1ncn(C)n1)NCC(=O)NC ZINC001318520487 884286358 /nfs/dbraw/zinc/28/63/58/884286358.db2.gz ZOCXKPNKQCLISF-QMMMGPOBSA-N 0 3 268.321 -1.341 20 0 CAADHN CC[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)NCC(N)=O ZINC001318603929 884289307 /nfs/dbraw/zinc/28/93/07/884289307.db2.gz ZPQPOTIHJDBQJD-MRVPVSSYSA-N 0 3 299.331 -2.150 20 0 CAADHN CC[C@@H](CNC(=O)C(=O)NCC1CC1)N[C@H](C)C(N)=O ZINC001318592106 884290011 /nfs/dbraw/zinc/29/00/11/884290011.db2.gz SFLTVRKUKGAAAR-SCZZXKLOSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H](C)C(N)=O ZINC001318593832 884290402 /nfs/dbraw/zinc/29/04/02/884290402.db2.gz CHRKZQAEELTLRU-HTQZYQBOSA-N 0 3 268.321 -1.295 20 0 CAADHN NC(=O)C(=O)NC1(CN[C@H]2CCCNC2=O)CCCC1 ZINC001318654275 884290848 /nfs/dbraw/zinc/29/08/48/884290848.db2.gz UYIZZLMVZXMWPA-VIFPVBQESA-N 0 3 282.344 -1.231 20 0 CAADHN C[C@@H](C(=O)NCCN1CCN(C)CC1)N1CCN(C)CC1 ZINC001318756826 884292897 /nfs/dbraw/zinc/29/28/97/884292897.db2.gz INUNAZIOFJXHHL-AWEZNQCLSA-N 0 3 297.447 -1.014 20 0 CAADHN CCN1CCN(CCC(=O)N(C)CC(N)=O)CC1 ZINC001318842335 884296208 /nfs/dbraw/zinc/29/62/08/884296208.db2.gz FYRRLNRGNKWJBW-UHFFFAOYSA-N 0 3 256.350 -1.042 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC(C(N)=O)C(N)=O)CC1=O ZINC001318913041 884301583 /nfs/dbraw/zinc/30/15/83/884301583.db2.gz XKNLCWZQUDOOCF-ZETCQYMHSA-N 0 3 299.331 -3.148 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@@H]2CN[C@H](C)C(N)=O)CC1 ZINC001319115357 884307475 /nfs/dbraw/zinc/30/74/75/884307475.db2.gz HSYUKVMLUJWTAP-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@@H]2CN[C@@H](C)C(N)=O)CC1 ZINC001319115358 884307837 /nfs/dbraw/zinc/30/78/37/884307837.db2.gz HSYUKVMLUJWTAP-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)C(N)=O ZINC001319106123 884309229 /nfs/dbraw/zinc/30/92/29/884309229.db2.gz AOTFGXUBIVLART-JGVFFNPUSA-N 0 3 256.306 -1.813 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001319057007 884309333 /nfs/dbraw/zinc/30/93/33/884309333.db2.gz FANUHLIOJBZWEO-RKDXNWHRSA-N 0 3 268.317 -1.669 20 0 CAADHN C[C@H](CNCC(=O)Nc1ccon1)CNC(=O)CC(N)=O ZINC001319168420 884312710 /nfs/dbraw/zinc/31/27/10/884312710.db2.gz UEVHAMFZYSOHOD-MRVPVSSYSA-N 0 3 297.315 -1.170 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001319418431 884327089 /nfs/dbraw/zinc/32/70/89/884327089.db2.gz LNSOWWXSOBPFPU-MRVPVSSYSA-N 0 3 269.309 -2.144 20 0 CAADHN CC(=O)N(C)[C@@H](C)CNCCNS(C)(=O)=O ZINC001319411724 884327922 /nfs/dbraw/zinc/32/79/22/884327922.db2.gz KTDQEDUKMWXVBU-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001319436073 884330588 /nfs/dbraw/zinc/33/05/88/884330588.db2.gz IARDFFMQIFCZBK-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)N(C)C(=O)CC(N)=O)C1=O ZINC001319436028 884332156 /nfs/dbraw/zinc/33/21/56/884332156.db2.gz HCMRXWABXVBUDK-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](CNCCF)N(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001319471550 884332558 /nfs/dbraw/zinc/33/25/58/884332558.db2.gz DXBSVKMCMQUHKK-YUMQZZPRSA-N 0 3 274.296 -1.010 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)C1(C(N)=O)CC1 ZINC001319523437 884333974 /nfs/dbraw/zinc/33/39/74/884333974.db2.gz QYHMVIIIZSQUSA-IUCAKERBSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001319513573 884333877 /nfs/dbraw/zinc/33/38/77/884333877.db2.gz BWEWOBSAUXQMAX-WYOJIJJFSA-N 0 3 255.318 -1.199 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001319522761 884335588 /nfs/dbraw/zinc/33/55/88/884335588.db2.gz KYPLOQWRNNGEFY-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCCC1)N(C)C(=O)C(N)=O ZINC001319524611 884336158 /nfs/dbraw/zinc/33/61/58/884336158.db2.gz HHYFYBTYYIKLTJ-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN NC(=O)NC(=O)CCN1CCN(CCCCO)CC1 ZINC001319492398 884336286 /nfs/dbraw/zinc/33/62/86/884336286.db2.gz XDUOIQQJJMFOKX-UHFFFAOYSA-N 0 3 272.349 -1.039 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1cnon1 ZINC001319550106 884339331 /nfs/dbraw/zinc/33/93/31/884339331.db2.gz WLXKIMCRSJJWBT-ZETCQYMHSA-N 0 3 255.278 -1.134 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CN1C(=O)CN(C)C1=O ZINC001319580880 884339492 /nfs/dbraw/zinc/33/94/92/884339492.db2.gz QWMLARPOEQSCAW-QMMMGPOBSA-N 0 3 299.331 -2.198 20 0 CAADHN CNC(=O)NCC(=O)NCCCN1CCN(C)CC1 ZINC001319539763 884339998 /nfs/dbraw/zinc/33/99/98/884339998.db2.gz PXWHJMGMJFLUBO-UHFFFAOYSA-N 0 3 271.365 -1.331 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)NCC[S@@](C)=O ZINC001319543630 884340150 /nfs/dbraw/zinc/34/01/50/884340150.db2.gz RZBBUCOZRPAGLI-BMLIUANNSA-N 0 3 265.379 -1.023 20 0 CAADHN CC(C)C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)C(N)=O ZINC001319633464 884345143 /nfs/dbraw/zinc/34/51/43/884345143.db2.gz HYOJBRJLEBZYSK-ZJUUUORDSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)C(N)=O ZINC001319633462 884346510 /nfs/dbraw/zinc/34/65/10/884346510.db2.gz HYOJBRJLEBZYSK-UWVGGRQHSA-N 0 3 284.360 -1.177 20 0 CAADHN NC(=O)CC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001320199529 884381148 /nfs/dbraw/zinc/38/11/48/884381148.db2.gz AIKBOPXZXXVPDV-RQJHMYQMSA-N 0 3 258.278 -3.183 20 0 CAADHN NC(=O)N[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001319802452 884352514 /nfs/dbraw/zinc/35/25/14/884352514.db2.gz FUGDTIHMTWXRCY-VHSXEESVSA-N 0 3 253.306 -1.013 20 0 CAADHN CCN1CCCN(C(=O)[C@H](CO)NC(N)=O)CC1 ZINC001319872817 884356130 /nfs/dbraw/zinc/35/61/30/884356130.db2.gz AHZTVIGCRLGFHN-VIFPVBQESA-N 0 3 258.322 -1.430 20 0 CAADHN CC(C)[C@H](CNC(=O)C(N)=O)NCC(=O)NCC1CC1 ZINC001319943092 884362709 /nfs/dbraw/zinc/36/27/09/884362709.db2.gz IETDKLRTCHFPHA-JTQLQIEISA-N 0 3 284.360 -1.272 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(N)=O)NCC(=O)NCC1CC1 ZINC001319943093 884363522 /nfs/dbraw/zinc/36/35/22/884363522.db2.gz IETDKLRTCHFPHA-SNVBAGLBSA-N 0 3 284.360 -1.272 20 0 CAADHN CC(C)[C@H](CNC(=O)C(N)=O)NCc1nc(=O)n(C)[nH]1 ZINC001319942597 884363941 /nfs/dbraw/zinc/36/39/41/884363941.db2.gz FAVQQMSNGGOCFP-ZETCQYMHSA-N 0 3 284.320 -2.176 20 0 CAADHN CN(CCOCCO)CCN(C)C(=O)c1cn[nH]n1 ZINC001320016706 884367369 /nfs/dbraw/zinc/36/73/69/884367369.db2.gz VCFAYLXJZUGHFE-UHFFFAOYSA-N 0 3 271.321 -1.183 20 0 CAADHN CN(CCN(C)C(=O)C(N)=O)C[C@H](O)Cn1cccn1 ZINC001320041738 884372448 /nfs/dbraw/zinc/37/24/48/884372448.db2.gz GPVQBKWWBNPJDW-JTQLQIEISA-N 0 3 283.332 -1.881 20 0 CAADHN CCNC(=O)CN1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@@H]21 ZINC001320094852 884374690 /nfs/dbraw/zinc/37/46/90/884374690.db2.gz COEAKQKDWOEFDD-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CCCNC(=O)CN1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001320113695 884375127 /nfs/dbraw/zinc/37/51/27/884375127.db2.gz ZJKFRYYVWSBVTH-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN COCC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001320186914 884379837 /nfs/dbraw/zinc/37/98/37/884379837.db2.gz JAHADDKYMWPEOZ-SECBINFHSA-N 0 3 259.306 -2.068 20 0 CAADHN CS(=O)(=O)NCCNC[C@H](O)CNC(=O)C1CC1 ZINC001320190505 884379900 /nfs/dbraw/zinc/37/99/00/884379900.db2.gz YOTJFYRDXKCPGK-VIFPVBQESA-N 0 3 279.362 -1.988 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cc[n+]([O-])cc1 ZINC001320189605 884380258 /nfs/dbraw/zinc/38/02/58/884380258.db2.gz WVQOQZVDFSVLFU-GHMZBOCLSA-N 0 3 294.311 -2.111 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccco1 ZINC001320190078 884380315 /nfs/dbraw/zinc/38/03/15/884380315.db2.gz TYJZGMIOUZNKBV-QMMMGPOBSA-N 0 3 255.274 -1.294 20 0 CAADHN C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)n1cccn1 ZINC001320198551 884380355 /nfs/dbraw/zinc/38/03/55/884380355.db2.gz DTRCSSVLLNFDAC-DTWKUNHWSA-N 0 3 269.305 -2.004 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001320215621 884389660 /nfs/dbraw/zinc/38/96/60/884389660.db2.gz SPWWSKIHEHYTBX-RITPCOANSA-N 0 3 251.233 -1.806 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CC1CC1 ZINC001320189776 884382033 /nfs/dbraw/zinc/38/20/33/884382033.db2.gz RTKSHBFGDAGOHO-WPRPVWTQSA-N 0 3 257.334 -1.012 20 0 CAADHN CS(=O)(=O)CCNC[C@@H](O)CNC(=O)C(F)F ZINC001320190233 884382411 /nfs/dbraw/zinc/38/24/11/884382411.db2.gz VQPAEEJUKHUAPF-ZCFIWIBFSA-N 0 3 274.289 -1.637 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001320198991 884382686 /nfs/dbraw/zinc/38/26/86/884382686.db2.gz HHOMYGNFTQMFEU-SFYZADRCSA-N 0 3 269.305 -1.776 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cccnc1)C(N)=O ZINC001320190391 884383117 /nfs/dbraw/zinc/38/31/17/884383117.db2.gz WIVNWQQENSQEKT-WPRPVWTQSA-N 0 3 266.301 -1.364 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)OC ZINC001320201098 884384185 /nfs/dbraw/zinc/38/41/85/884384185.db2.gz HQPRLSAXZBMKDI-RKDXNWHRSA-N 0 3 261.322 -1.776 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccon1)C(N)=O ZINC001320200022 884384240 /nfs/dbraw/zinc/38/42/40/884384240.db2.gz MWMWDZAYEXAWOC-BQBZGAKWSA-N 0 3 256.262 -1.771 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NC[C@@H](O)CNCCF ZINC001320285240 884407630 /nfs/dbraw/zinc/40/76/30/884407630.db2.gz BAWBACNFAJUNBD-BDAKNGLRSA-N 0 3 261.297 -1.309 20 0 CAADHN CC(C)(C)C(=O)C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001320200025 884385331 /nfs/dbraw/zinc/38/53/31/884385331.db2.gz CRQPDUAWZGWOBY-SNVBAGLBSA-N 0 3 299.371 -1.053 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)OC ZINC001320201096 884386785 /nfs/dbraw/zinc/38/67/85/884386785.db2.gz HQPRLSAXZBMKDI-IUCAKERBSA-N 0 3 261.322 -1.776 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccc[nH]1 ZINC001320200292 884386007 /nfs/dbraw/zinc/38/60/07/884386007.db2.gz NDKXLHLSRILYAV-RKDXNWHRSA-N 0 3 268.317 -1.171 20 0 CAADHN CC(C)(C)C(=O)C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001320200024 884386171 /nfs/dbraw/zinc/38/61/71/884386171.db2.gz CRQPDUAWZGWOBY-JTQLQIEISA-N 0 3 299.371 -1.053 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccon1)C(N)=O ZINC001320200037 884387571 /nfs/dbraw/zinc/38/75/71/884387571.db2.gz MWMWDZAYEXAWOC-NKWVEPMBSA-N 0 3 256.262 -1.771 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001320217007 884388836 /nfs/dbraw/zinc/38/88/36/884388836.db2.gz OJZNKZKAQWJQGA-HTQZYQBOSA-N 0 3 274.321 -2.547 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccon1)C(N)=O ZINC001320200238 884387907 /nfs/dbraw/zinc/38/79/07/884387907.db2.gz MWMWDZAYEXAWOC-RQJHMYQMSA-N 0 3 256.262 -1.771 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001320215425 884388491 /nfs/dbraw/zinc/38/84/91/884388491.db2.gz FHJKUJDBZHWWON-MRVPVSSYSA-N 0 3 269.305 -1.774 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001320216976 884391553 /nfs/dbraw/zinc/39/15/53/884391553.db2.gz OBCWIWMDSCABCJ-VIFPVBQESA-N 0 3 288.348 -2.333 20 0 CAADHN CC/C(C)=C/C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001320216131 884392844 /nfs/dbraw/zinc/39/28/44/884392844.db2.gz WHFAUVYTVGYOEK-VGANXODHSA-N 0 3 286.332 -1.396 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H](O)CNCCF)CC1=O ZINC001320227406 884395047 /nfs/dbraw/zinc/39/50/47/884395047.db2.gz QCKPNEKJXBRHSB-RKDXNWHRSA-N 0 3 261.297 -1.499 20 0 CAADHN C/C=C(/C)C(=O)NC[C@H](O)CNCCNS(C)(=O)=O ZINC001320219260 884397148 /nfs/dbraw/zinc/39/71/48/884397148.db2.gz ZZCPITXVLXYNDO-ZUYFITGHSA-N 0 3 293.389 -1.432 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C1(C)CC1 ZINC001320228870 884396603 /nfs/dbraw/zinc/39/66/03/884396603.db2.gz DBGCDZAEBDTFEO-SECBINFHSA-N 0 3 257.334 -1.059 20 0 CAADHN C/C=C(/C)C(=O)NC[C@@H](O)CNCCNS(C)(=O)=O ZINC001320219257 884396912 /nfs/dbraw/zinc/39/69/12/884396912.db2.gz ZZCPITXVLXYNDO-FWAPLPHYSA-N 0 3 293.389 -1.432 20 0 CAADHN CN1CC[C@H](CC(=O)NC[C@H](O)CNCCF)C1=O ZINC001320239285 884400084 /nfs/dbraw/zinc/40/00/84/884400084.db2.gz VPHOYLDFOLHFDV-NXEZZACHSA-N 0 3 275.324 -1.109 20 0 CAADHN O=C(C[C@H]1CCCS1(=O)=O)NC[C@H](O)CNCCF ZINC001320256505 884401868 /nfs/dbraw/zinc/40/18/68/884401868.db2.gz DLINESMGPGFJEK-NXEZZACHSA-N 0 3 296.364 -1.010 20 0 CAADHN O=C(NC[C@@H](O)CNC/C=C/Cl)[C@H]1CCNC1=O ZINC001320259789 884402093 /nfs/dbraw/zinc/40/20/93/884402093.db2.gz RXUHVFPHIVBAQX-PFBVDLENSA-N 0 3 275.736 -1.058 20 0 CAADHN O=C(C[C@@H]1CCCS1(=O)=O)NC[C@@H](O)CNCCF ZINC001320256506 884403264 /nfs/dbraw/zinc/40/32/64/884403264.db2.gz DLINESMGPGFJEK-UWVGGRQHSA-N 0 3 296.364 -1.010 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[C@@H]1C ZINC001320260915 884404679 /nfs/dbraw/zinc/40/46/79/884404679.db2.gz VISKKAWSNJPXQF-GUBZILKMSA-N 0 3 257.334 -1.155 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)C1=O ZINC001320261379 884404765 /nfs/dbraw/zinc/40/47/65/884404765.db2.gz CCOHYJISSPTMMF-SFYZADRCSA-N 0 3 272.305 -2.983 20 0 CAADHN O=C(NC[C@@H](O)CNC/C=C\Cl)[C@H]1CNC(=O)N1 ZINC001320271675 884404998 /nfs/dbraw/zinc/40/49/98/884404998.db2.gz UIBVORIRIANMPZ-WFWQCHFMSA-N 0 3 276.724 -1.513 20 0 CAADHN NC(=O)C(=O)NC[C@@H](O)CN[C@H]1CCN(C2CCC2)C1=O ZINC001320269840 884405020 /nfs/dbraw/zinc/40/50/20/884405020.db2.gz BVQSIERIUAATAO-UWVGGRQHSA-N 0 3 298.343 -2.308 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C(N)=O)C(=O)N(C)C ZINC001320269986 884405806 /nfs/dbraw/zinc/40/58/06/884405806.db2.gz FSOGVBVNLNMOLR-RQJHMYQMSA-N 0 3 260.294 -2.985 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(N)=O ZINC001320264041 884405840 /nfs/dbraw/zinc/40/58/40/884405840.db2.gz PZSXZVKCXVBAEJ-SAVGLBRCSA-N 0 3 269.345 -1.027 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001320260993 884405857 /nfs/dbraw/zinc/40/58/57/884405857.db2.gz WHQZYJHGFQBIGW-BDAKNGLRSA-N 0 3 286.332 -2.675 20 0 CAADHN CC(C)N1CC[C@H](NC[C@@H](O)CNC(=O)C(N)=O)C1=O ZINC001320270053 884405869 /nfs/dbraw/zinc/40/58/69/884405869.db2.gz HCPVBLHBXKPLBG-BDAKNGLRSA-N 0 3 286.332 -2.452 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001320270092 884405890 /nfs/dbraw/zinc/40/58/90/884405890.db2.gz ICTVGOHEJMYVCF-ZETCQYMHSA-N 0 3 256.262 -1.851 20 0 CAADHN O=C(NC[C@H](O)CNC/C=C\Cl)[C@H]1CNC(=O)N1 ZINC001320271669 884406047 /nfs/dbraw/zinc/40/60/47/884406047.db2.gz UIBVORIRIANMPZ-LQKKCHKWSA-N 0 3 276.724 -1.513 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)C1=O ZINC001320261384 884405958 /nfs/dbraw/zinc/40/59/58/884405958.db2.gz CCOHYJISSPTMMF-YUMQZZPRSA-N 0 3 272.305 -2.983 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C(N)=O)C(=O)N(C)C ZINC001320269985 884405980 /nfs/dbraw/zinc/40/59/80/884405980.db2.gz FSOGVBVNLNMOLR-RNFRBKRXSA-N 0 3 260.294 -2.985 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@H](O)CNCC(N)=O)C1=O ZINC001320261361 884406019 /nfs/dbraw/zinc/40/60/19/884406019.db2.gz CCOHYJISSPTMMF-HTQZYQBOSA-N 0 3 272.305 -2.983 20 0 CAADHN CCN(C(=O)CNC[C@@H](O)CNC(=O)C(N)=O)C1CC1 ZINC001320270029 884406125 /nfs/dbraw/zinc/40/61/25/884406125.db2.gz GRWSIPTYVYMODE-SECBINFHSA-N 0 3 286.332 -2.451 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001320281444 884407891 /nfs/dbraw/zinc/40/78/91/884407891.db2.gz AOKWPOBGEJCOGO-SSDOTTSWSA-N 0 3 255.278 -2.116 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001320275553 884408489 /nfs/dbraw/zinc/40/84/89/884408489.db2.gz UXQHFLYTJCRREQ-SECBINFHSA-N 0 3 255.318 -1.271 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001320280631 884408548 /nfs/dbraw/zinc/40/85/48/884408548.db2.gz JSBGEFJZRAIHLD-RKDXNWHRSA-N 0 3 255.318 -1.401 20 0 CAADHN O=C(NC[C@H](O)CNCCF)C1CCS(=O)(=O)CC1 ZINC001320282476 884408676 /nfs/dbraw/zinc/40/86/76/884408676.db2.gz HXQKHYXVTICVFL-SNVBAGLBSA-N 0 3 296.364 -1.153 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cn1cncn1 ZINC001320303028 884410434 /nfs/dbraw/zinc/41/04/34/884410434.db2.gz KNSUJNIKHYYHPO-ZETCQYMHSA-N 0 3 256.266 -3.170 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001320303027 884410361 /nfs/dbraw/zinc/41/03/61/884410361.db2.gz KNSUJNIKHYYHPO-SSDOTTSWSA-N 0 3 256.266 -3.170 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1ncc[nH]1)C(N)=O ZINC001320291901 884410395 /nfs/dbraw/zinc/41/03/95/884410395.db2.gz GKSFRQVUIVQWGR-SFYZADRCSA-N 0 3 269.305 -2.107 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001320314749 884413765 /nfs/dbraw/zinc/41/37/65/884413765.db2.gz AFUPDANWNSPNOM-SFYZADRCSA-N 0 3 269.305 -1.728 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H](CO)NC(N)=O ZINC001320323486 884415390 /nfs/dbraw/zinc/41/53/90/884415390.db2.gz GWSYYCSIPXNCKE-MRVPVSSYSA-N 0 3 262.310 -2.554 20 0 CAADHN C[C@@H](CC[NH2+]CC(N)=O)NC(=O)CCc1nnc[n-]1 ZINC001320388070 884420810 /nfs/dbraw/zinc/42/08/10/884420810.db2.gz ONDQQAMVNZPDQA-QMMMGPOBSA-N 0 3 268.321 -1.293 20 0 CAADHN C[C@H](CNC(=O)C(=O)N(C)CCN(C)C)S(N)(=O)=O ZINC001320559145 884428643 /nfs/dbraw/zinc/42/86/43/884428643.db2.gz BZCQWGQJLCPCEU-MRVPVSSYSA-N 0 3 294.377 -2.200 20 0 CAADHN COc1cncc(CNCC[C@@H](C)NC(=O)C(N)=O)n1 ZINC001320534676 884429534 /nfs/dbraw/zinc/42/95/34/884429534.db2.gz LVRVKAJGGUZSKZ-MRVPVSSYSA-N 0 3 281.316 -1.045 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@@H]1COCCO1 ZINC001320683911 884438303 /nfs/dbraw/zinc/43/83/03/884438303.db2.gz WCOWFWMDTPNGPZ-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)c1cc(C)n[nH]1 ZINC001320683425 884439990 /nfs/dbraw/zinc/43/99/90/884439990.db2.gz MTPYJOHORNPFDP-UHFFFAOYSA-N 0 3 296.331 -1.035 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)c1cc(C)[nH]n1 ZINC001320683425 884440004 /nfs/dbraw/zinc/44/00/04/884440004.db2.gz MTPYJOHORNPFDP-UHFFFAOYSA-N 0 3 296.331 -1.035 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)[C@@H]1COCCO1 ZINC001320682643 884440319 /nfs/dbraw/zinc/44/03/19/884440319.db2.gz JNYFKPOLRFSRNW-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CCN(CCNCC(=O)N1CCC1)C(=O)[C@@H]1COC(=O)N1 ZINC001320724862 884441400 /nfs/dbraw/zinc/44/14/00/884441400.db2.gz LQVZQGMHPOYINN-JTQLQIEISA-N 0 3 298.343 -1.235 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@@H]1CN(C)CCO1 ZINC001320702696 884442103 /nfs/dbraw/zinc/44/21/03/884442103.db2.gz GAMFJEROABZWON-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)c1cnnn1C ZINC001320725830 884443077 /nfs/dbraw/zinc/44/30/77/884443077.db2.gz WIMNPGQZHPZCRW-UHFFFAOYSA-N 0 3 268.321 -1.387 20 0 CAADHN CCN(CCNCC(=O)N1CCC1)C(=O)[C@H]1COC(=O)N1 ZINC001320724863 884443478 /nfs/dbraw/zinc/44/34/78/884443478.db2.gz LQVZQGMHPOYINN-SNVBAGLBSA-N 0 3 298.343 -1.235 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1ccc(=O)n(C)c1 ZINC001320783412 884445564 /nfs/dbraw/zinc/44/55/64/884445564.db2.gz ZIIXREXPVQYDLI-UHFFFAOYSA-N 0 3 280.328 -1.078 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)c1cn[nH]n1 ZINC001320778881 884445171 /nfs/dbraw/zinc/44/51/71/884445171.db2.gz WZFYPNYQXCTYGY-MRVPVSSYSA-N 0 3 266.305 -1.255 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001320756409 884445825 /nfs/dbraw/zinc/44/58/25/884445825.db2.gz XGQLBRIMIKLPCM-ZETCQYMHSA-N 0 3 285.304 -2.492 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)Cn1ncnn1 ZINC001320736815 884445854 /nfs/dbraw/zinc/44/58/54/884445854.db2.gz HYMWPIIRZVPDNZ-UHFFFAOYSA-N 0 3 283.336 -1.801 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001320755961 884446397 /nfs/dbraw/zinc/44/63/97/884446397.db2.gz OVITWVXKQZHSLB-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)CO[C@H]1CCOC1 ZINC001320733676 884446637 /nfs/dbraw/zinc/44/66/37/884446637.db2.gz ACHWVUFIEFKBTI-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCNC1=O ZINC001320810697 884448103 /nfs/dbraw/zinc/44/81/03/884448103.db2.gz CGSZVRLDOQJZSF-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CCNC1=O ZINC001320810698 884448207 /nfs/dbraw/zinc/44/82/07/884448207.db2.gz CGSZVRLDOQJZSF-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1ccc2nnnn2c1 ZINC001320791256 884448303 /nfs/dbraw/zinc/44/83/03/884448303.db2.gz JQEARQIGCMKGJI-UHFFFAOYSA-N 0 3 291.315 -1.339 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CCNC1=O ZINC001320810699 884448398 /nfs/dbraw/zinc/44/83/98/884448398.db2.gz CGSZVRLDOQJZSF-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001320831100 884450752 /nfs/dbraw/zinc/45/07/52/884450752.db2.gz JCMVVWWTRGADFH-JTQLQIEISA-N 0 3 297.359 -1.616 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)C1(C(=O)NC)CC1 ZINC001320862774 884450901 /nfs/dbraw/zinc/45/09/01/884450901.db2.gz AAUPEWQVLKOTSL-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CN1C(=O)CNC1=O ZINC001320912090 884453701 /nfs/dbraw/zinc/45/37/01/884453701.db2.gz BVPRVZRVWMRBCZ-UHFFFAOYSA-N 0 3 285.304 -2.538 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CCCC(=O)N1C ZINC001320912778 884453880 /nfs/dbraw/zinc/45/38/80/884453880.db2.gz KANLWZMFSKMDJJ-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001320921049 884454591 /nfs/dbraw/zinc/45/45/91/884454591.db2.gz QMIWAMBBFAINKD-UHFFFAOYSA-N 0 3 281.316 -1.349 20 0 CAADHN CCNC(=O)CNCCN(CC)C(=O)[C@@H]1CCC(=O)N1 ZINC001320900123 884454967 /nfs/dbraw/zinc/45/49/67/884454967.db2.gz AIHLJPHBEULAKQ-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001320922260 884455540 /nfs/dbraw/zinc/45/55/40/884455540.db2.gz YNFPSRPPTLGEAA-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNS(C)(=O)=O ZINC001321006899 884460963 /nfs/dbraw/zinc/46/09/63/884460963.db2.gz ZLACFLRCMOTADQ-UHFFFAOYSA-N 0 3 260.319 -1.074 20 0 CAADHN CC[C@@H](NC/C=C/CNC(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001320996331 884461813 /nfs/dbraw/zinc/46/18/13/884461813.db2.gz CUIWUMCIBXFEKZ-HIHHVFROSA-N 0 3 282.344 -1.209 20 0 CAADHN CC[C@H](NC/C=C/CNC(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001320996330 884462054 /nfs/dbraw/zinc/46/20/54/884462054.db2.gz CUIWUMCIBXFEKZ-FCVPOFOPSA-N 0 3 282.344 -1.209 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001321025861 884462748 /nfs/dbraw/zinc/46/27/48/884462748.db2.gz VTALGIFHKWHPNI-CBZSPVTBSA-N 0 3 296.371 -1.091 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)c1nccnc1N)C(N)=O ZINC001321000976 884462872 /nfs/dbraw/zinc/46/28/72/884462872.db2.gz QYMSTGUWDDNZFE-YAJNLLPGSA-N 0 3 278.316 -1.192 20 0 CAADHN O=C(NC/C=C/CN[C@H]1CCCNC1=O)[C@@H]1COC(=O)N1 ZINC001321043303 884466080 /nfs/dbraw/zinc/46/60/80/884466080.db2.gz CYEIFXAIHLHNEK-SPMHKISASA-N 0 3 296.327 -1.365 20 0 CAADHN O=C(Cn1ncnn1)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001321062674 884467895 /nfs/dbraw/zinc/46/78/95/884467895.db2.gz CFSJJOROMJELFZ-TXXBHVLJSA-N 0 3 293.331 -1.786 20 0 CAADHN O=C(Cn1ncnn1)NC/C=C/CN[C@H]1CCCNC1=O ZINC001321062677 884468735 /nfs/dbraw/zinc/46/87/35/884468735.db2.gz CFSJJOROMJELFZ-YOLVWIGZSA-N 0 3 293.331 -1.786 20 0 CAADHN NC(=O)CNC/C=C\CNC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001321211588 884477205 /nfs/dbraw/zinc/47/72/05/884477205.db2.gz OKESWCGPVUYNCV-JKERVTFKSA-N 0 3 292.343 -1.028 20 0 CAADHN CCN1CC[C@@H](NC/C=C/CNC(=O)C(N)=O)C1=O ZINC001321224943 884480589 /nfs/dbraw/zinc/48/05/89/884480589.db2.gz XFMWUVJQCUEAAV-CDAZIORVSA-N 0 3 268.317 -1.646 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)N(C)C ZINC001321248333 884480434 /nfs/dbraw/zinc/48/04/34/884480434.db2.gz BGEOSRXQHNZIBU-ASBRAAOASA-N 0 3 296.371 -1.154 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CCN(C)C1=O ZINC001321234721 884481671 /nfs/dbraw/zinc/48/16/71/884481671.db2.gz YFIRJLZPMZOANH-XXJOZFEBSA-N 0 3 296.371 -1.139 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)CCN1CCOCC1)C(N)=O ZINC001321295246 884483152 /nfs/dbraw/zinc/48/31/52/884483152.db2.gz WYVUXTVYDNMYFW-JDGPPOGSSA-N 0 3 298.387 -1.156 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)CCN1CCOCC1)C(N)=O ZINC001321295247 884483228 /nfs/dbraw/zinc/48/32/28/884483228.db2.gz WYVUXTVYDNMYFW-QAVQXKDTSA-N 0 3 298.387 -1.156 20 0 CAADHN Cc1cnc(C(=O)N[C@H](C)CNCC(N)=O)cn1 ZINC001321452585 884492378 /nfs/dbraw/zinc/49/23/78/884492378.db2.gz PFDYQIAQBLXYLH-MRVPVSSYSA-N 0 3 251.290 -1.022 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001321407055 884492925 /nfs/dbraw/zinc/49/29/25/884492925.db2.gz JYZNOQFOAOUKRE-KWQFWETISA-N 0 3 257.290 -1.332 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC/C=C/CNCC(=O)NC)C1 ZINC001321401628 884493481 /nfs/dbraw/zinc/49/34/81/884493481.db2.gz ALOUDCNWGOTQAF-ZYOFXKKJSA-N 0 3 298.387 -1.285 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cnccn1 ZINC001321453028 884493704 /nfs/dbraw/zinc/49/37/04/884493704.db2.gz XXYMYESGPWVJKX-RKDXNWHRSA-N 0 3 291.311 -1.010 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CNC(C)=O ZINC001321452587 884493723 /nfs/dbraw/zinc/49/37/23/884493723.db2.gz PIJWUHDKUFZDRJ-MRVPVSSYSA-N 0 3 258.322 -1.647 20 0 CAADHN CCNC(=O)CC(=O)N[C@H](C)CN[C@H]1CCCNC1=O ZINC001321501514 884495797 /nfs/dbraw/zinc/49/57/97/884495797.db2.gz QAWUVIIHPFDHBG-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CCn1ncc(C(=O)N[C@H](C)CN[C@@H](C)C(N)=O)n1 ZINC001321499607 884495844 /nfs/dbraw/zinc/49/58/44/884495844.db2.gz IAUVWARDBQRVEA-SFYZADRCSA-N 0 3 268.321 -1.120 20 0 CAADHN CO[C@H](C)C(=O)N[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001321468678 884496824 /nfs/dbraw/zinc/49/68/24/884496824.db2.gz FFFLGCRMQWORLE-HLTSFMKQSA-N 0 3 271.317 -1.079 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)CC(N)=O ZINC001321477845 884497350 /nfs/dbraw/zinc/49/73/50/884497350.db2.gz AIYWCNZLLTYZAL-SECBINFHSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001321470085 884497400 /nfs/dbraw/zinc/49/74/00/884497400.db2.gz OJIXBVKDNDDYAB-SSDOTTSWSA-N 0 3 265.335 -2.129 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001321533548 884499827 /nfs/dbraw/zinc/49/98/27/884499827.db2.gz YYNCZMSZTFXCIP-RQJHMYQMSA-N 0 3 259.310 -2.117 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C(C)(C)C(N)=O ZINC001321552774 884500954 /nfs/dbraw/zinc/50/09/54/884500954.db2.gz ZRTMCHGGYPMFKI-RQJHMYQMSA-N 0 3 258.322 -1.534 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001321618818 884502362 /nfs/dbraw/zinc/50/23/62/884502362.db2.gz ZMNUVOBTRXCMLX-GPTQDWHKSA-N 0 3 295.339 -1.222 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCNC1=O ZINC001321609890 884502668 /nfs/dbraw/zinc/50/26/68/884502668.db2.gz RWNJIPJUOGGYQH-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCNC1=O ZINC001321608719 884502706 /nfs/dbraw/zinc/50/27/06/884502706.db2.gz FVNHIPXVQFVFMG-SFYZADRCSA-N 0 3 256.306 -2.037 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001321608713 884504367 /nfs/dbraw/zinc/50/43/67/884504367.db2.gz FVNHIPXVQFVFMG-HTQZYQBOSA-N 0 3 256.306 -2.037 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@]1(C)CCNC1=O ZINC001321645396 884506628 /nfs/dbraw/zinc/50/66/28/884506628.db2.gz JPLCVHFUZIXIMW-PELKAZGASA-N 0 3 270.333 -1.647 20 0 CAADHN CCN(CC)C(=O)[C@H](C)NC[C@@H](C)NC(=O)C(N)=O ZINC001321640442 884506667 /nfs/dbraw/zinc/50/66/67/884506667.db2.gz FCDSXBSRAMOMEF-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)C1CC(=O)NC(=O)C1 ZINC001321680342 884509643 /nfs/dbraw/zinc/50/96/43/884509643.db2.gz DLPJLYUNXHEMMM-APPZFPTMSA-N 0 3 296.327 -1.978 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN1CC(=O)N(C)C1=O ZINC001321709817 884513862 /nfs/dbraw/zinc/51/38/62/884513862.db2.gz HSDUHMJOQKILEQ-SSDOTTSWSA-N 0 3 285.304 -2.540 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001321779899 884516353 /nfs/dbraw/zinc/51/63/53/884516353.db2.gz VCIDFNBMCSOEGM-IONNQARKSA-N 0 3 284.316 -1.978 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C(F)F ZINC001321770720 884517151 /nfs/dbraw/zinc/51/71/51/884517151.db2.gz PNZKCUBZEYHBJV-YFKPBYRVSA-N 0 3 266.248 -1.199 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC ZINC001321832206 884518815 /nfs/dbraw/zinc/51/88/15/884518815.db2.gz XLTFUHWNEDVDLL-DTWKUNHWSA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cnnn1C ZINC001321831819 884519470 /nfs/dbraw/zinc/51/94/70/884519470.db2.gz PILYZBLJIKJZHW-JGVFFNPUSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cnn(C)c1N ZINC001321831861 884519527 /nfs/dbraw/zinc/51/95/27/884519527.db2.gz RCBGOSCCQQXNNX-LURJTMIESA-N 0 3 254.294 -1.805 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001321799774 884519806 /nfs/dbraw/zinc/51/98/06/884519806.db2.gz AAMRXJHDJJOEOF-NKWVEPMBSA-N 0 3 260.294 -1.690 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001321832493 884519850 /nfs/dbraw/zinc/51/98/50/884519850.db2.gz ZETMMROEBTVVQT-YUMQZZPRSA-N 0 3 258.322 -1.519 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cncnc1 ZINC001321831065 884520771 /nfs/dbraw/zinc/52/07/71/884520771.db2.gz LTESVVBRLHYXCD-QMMMGPOBSA-N 0 3 251.290 -1.070 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001321799773 884521387 /nfs/dbraw/zinc/52/13/87/884521387.db2.gz AAMRXJHDJJOEOF-BQBZGAKWSA-N 0 3 260.294 -1.690 20 0 CAADHN CN(CCC(N)=O)Cc1cc(=O)n(C)c(=O)n1C ZINC001321850643 884522720 /nfs/dbraw/zinc/52/27/20/884522720.db2.gz QDBPJAXOMFVVNC-UHFFFAOYSA-N 0 3 254.290 -1.609 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCNC1=O ZINC001321878092 884522883 /nfs/dbraw/zinc/52/28/83/884522883.db2.gz KCICRQBJPHXNTJ-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN CN(CCNC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)O2)C1CC1 ZINC001321848773 884524565 /nfs/dbraw/zinc/52/45/65/884524565.db2.gz BCNMBGMSMNRJKU-TXEJJXNPSA-N 0 3 297.355 -1.177 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)C(C)(C)C(N)=O ZINC001321878923 884526013 /nfs/dbraw/zinc/52/60/13/884526013.db2.gz UWEONPYWUOROFV-JGVFFNPUSA-N 0 3 298.343 -1.603 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCNC(=O)C1CC1 ZINC001321924400 884526383 /nfs/dbraw/zinc/52/63/83/884526383.db2.gz JYRLNVWKNLWUTE-UHFFFAOYSA-N 0 3 284.360 -1.351 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCN(C)C1=O ZINC001321956047 884529180 /nfs/dbraw/zinc/52/91/80/884529180.db2.gz MMKMWZRAXSTOAG-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001321969768 884529550 /nfs/dbraw/zinc/52/95/50/884529550.db2.gz YQZUIGIRFCAZQP-YUMQZZPRSA-N 0 3 296.327 -1.849 20 0 CAADHN C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)C1(C(N)=O)CC1 ZINC001321967930 884531149 /nfs/dbraw/zinc/53/11/49/884531149.db2.gz BSZKKYPJLSTSGV-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1ccncn1 ZINC001322024178 884532339 /nfs/dbraw/zinc/53/23/39/884532339.db2.gz YXUVVYUTUJKJBB-IUCAKERBSA-N 0 3 291.311 -1.010 20 0 CAADHN COC[C@@H](CNC(=O)C(=O)NCCN(C)C1CC1)OC ZINC001322025446 884534577 /nfs/dbraw/zinc/53/45/77/884534577.db2.gz NTKYQJPFJDNMNK-LLVKDONJSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCCN1C(=O)CNC1=O ZINC001322069200 884537027 /nfs/dbraw/zinc/53/70/27/884537027.db2.gz IRLDGMHXWFXNOQ-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccc(=O)[nH]c1 ZINC001322063772 884537366 /nfs/dbraw/zinc/53/73/66/884537366.db2.gz ITWBVWSCARSICT-ZETCQYMHSA-N 0 3 252.274 -1.020 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)Cn1cncn1 ZINC001322068503 884537749 /nfs/dbraw/zinc/53/77/49/884537749.db2.gz CAWSBVPCOGLEIV-VIFPVBQESA-N 0 3 268.321 -1.539 20 0 CAADHN C[C@@H](CNCCS(C)(=O)=O)NC(=O)Cn1cncn1 ZINC001322071082 884538764 /nfs/dbraw/zinc/53/87/64/884538764.db2.gz ZXUQHUTZOVSASD-VIFPVBQESA-N 0 3 289.361 -1.583 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)c1cc(=O)n(C)cn1 ZINC001322176028 884541309 /nfs/dbraw/zinc/54/13/09/884541309.db2.gz NACPVMATZYQVNJ-VIFPVBQESA-N 0 3 268.317 -1.177 20 0 CAADHN C[C@@H](CN(C)[C@@H]1CCNC1=O)NC(=O)c1cn[nH]n1 ZINC001322192246 884543163 /nfs/dbraw/zinc/54/31/63/884543163.db2.gz GGTUVEVCRBDLTR-IONNQARKSA-N 0 3 266.305 -1.257 20 0 CAADHN CC(C)COC[C@@H](O)CN(C)C[C@H](C)NC(=O)C(N)=O ZINC001322239279 884545575 /nfs/dbraw/zinc/54/55/75/884545575.db2.gz ZAHBXFAFGJQPJX-QWRGUYRKSA-N 0 3 289.376 -1.058 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCCNCc1cnnn1C ZINC001322479655 884558225 /nfs/dbraw/zinc/55/82/25/884558225.db2.gz DNECPJDEWZIADV-VIFPVBQESA-N 0 3 297.363 -1.190 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001322651311 884569597 /nfs/dbraw/zinc/56/95/97/884569597.db2.gz XDRNHKGAEFQIOL-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001322651318 884569791 /nfs/dbraw/zinc/56/97/91/884569791.db2.gz XDRNHKGAEFQIOL-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001322651313 884569832 /nfs/dbraw/zinc/56/98/32/884569832.db2.gz XDRNHKGAEFQIOL-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CN1CCN(CC(=O)NC[C@H]2CN(C)CCN2C)CC1 ZINC001322733586 884573884 /nfs/dbraw/zinc/57/38/84/884573884.db2.gz YKPDPCKDSRUDKG-ZDUSSCGKSA-N 0 3 283.420 -1.404 20 0 CAADHN CN1CC[C@@H](NC[C@H](NC(=O)CC(N)=O)C2CC2)C1=O ZINC001322977919 884590160 /nfs/dbraw/zinc/59/01/60/884590160.db2.gz ZRSXGNPFLJRKRL-ZJUUUORDSA-N 0 3 282.344 -1.423 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001322959826 884590679 /nfs/dbraw/zinc/59/06/79/884590679.db2.gz NHXDKUOVYLCGMF-QMMMGPOBSA-N 0 3 267.293 -2.357 20 0 CAADHN NC(=O)c1ncn(CC(=O)N[C@@H](CNCCF)C2CC2)n1 ZINC001323000678 884594642 /nfs/dbraw/zinc/59/46/42/884594642.db2.gz QCWYJGGLBLAJAI-VIFPVBQESA-N 0 3 298.322 -1.169 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001323066806 884595612 /nfs/dbraw/zinc/59/56/12/884595612.db2.gz OUUPVRMLTJCUOS-MRVPVSSYSA-N 0 3 256.306 -1.956 20 0 CAADHN Cn1ncc(C(=O)N[C@H](CNCC(N)=O)C2CC2)n1 ZINC001323086980 884595747 /nfs/dbraw/zinc/59/57/47/884595747.db2.gz BUCBAJGBCQZZAM-MRVPVSSYSA-N 0 3 266.305 -1.602 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001323061966 884597258 /nfs/dbraw/zinc/59/72/58/884597258.db2.gz BVKAAJRWFHSGDD-SECBINFHSA-N 0 3 282.344 -1.518 20 0 CAADHN CN1CC[C@@H](NC[C@@H](NC(=O)C(N)=O)C2CC2)C1=O ZINC001323063046 884597354 /nfs/dbraw/zinc/59/73/54/884597354.db2.gz DLSKWLVPLPMONC-RKDXNWHRSA-N 0 3 268.317 -1.813 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](CN[C@@H](C)C(N)=O)C2CC2)CC1 ZINC001323080492 884597718 /nfs/dbraw/zinc/59/77/18/884597718.db2.gz IMBRJORPIWFBFF-WCBMZHEXSA-N 0 3 296.371 -1.129 20 0 CAADHN NC(=O)CC(=O)NC[C@H]1CCN1C[C@@H]1CCNC(=O)CC1 ZINC001323210284 884604118 /nfs/dbraw/zinc/60/41/18/884604118.db2.gz IQPMMAXKNFEKJX-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN OC[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C[C@@H]1O ZINC001323419320 884617993 /nfs/dbraw/zinc/61/79/93/884617993.db2.gz PBJSXHFLKKNBOK-TUAOUCFPSA-N 0 3 255.318 -1.081 20 0 CAADHN OC[C@@H]1CCN(C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC001323419319 884618183 /nfs/dbraw/zinc/61/81/83/884618183.db2.gz PBJSXHFLKKNBOK-SRVKXCTJSA-N 0 3 255.318 -1.081 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)Nc1cnnn1C ZINC001323890753 884641119 /nfs/dbraw/zinc/64/11/19/884641119.db2.gz CZOWZFXOKQLELW-UHFFFAOYSA-N 0 3 298.347 -1.162 20 0 CAADHN CC[C@H](C(=O)N(C)C1CN(CC(N)=O)C1)N(C)C ZINC001323946863 884644394 /nfs/dbraw/zinc/64/43/94/884644394.db2.gz TVFYZSGFSTUWPG-SNVBAGLBSA-N 0 3 256.350 -1.046 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCCNC1=O ZINC001324175990 884654370 /nfs/dbraw/zinc/65/43/70/884654370.db2.gz QUMBNUBJYCKYKP-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC001324218941 884654674 /nfs/dbraw/zinc/65/46/74/884654674.db2.gz BEBGINIIXSZZQL-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001324260017 884656908 /nfs/dbraw/zinc/65/69/08/884656908.db2.gz FANUHLIOJBZWEO-IUCAKERBSA-N 0 3 268.317 -1.669 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)C(N)=O ZINC001324218991 884656935 /nfs/dbraw/zinc/65/69/35/884656935.db2.gz BTFOFGVJVHEJLC-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN CCCCNC(=O)CNC[C@@H]1CCCN1C(=O)C(N)=O ZINC001324223266 884657336 /nfs/dbraw/zinc/65/73/36/884657336.db2.gz VBSZWVVIKGOYQU-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CN1C(=O)CNC1=O ZINC001324278275 884659854 /nfs/dbraw/zinc/65/98/54/884659854.db2.gz UERIPRUHGIWFLS-QMMMGPOBSA-N 0 3 297.315 -2.396 20 0 CAADHN O=S1(=O)C[C@H](NCCCO)[C@@H](N2CCOCC2)C1 ZINC001324284673 884660621 /nfs/dbraw/zinc/66/06/21/884660621.db2.gz DHIZTPAFJRYBEV-QWRGUYRKSA-N 0 3 278.374 -1.544 20 0 CAADHN C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)C1=CCN(C)CC1 ZINC001324390060 884668145 /nfs/dbraw/zinc/66/81/45/884668145.db2.gz KLJXVUVWTQDGIY-SNVBAGLBSA-N 0 3 296.371 -1.043 20 0 CAADHN CNC(=O)NC(=O)CN(C)C1(CO)CCOCC1 ZINC001324544188 884678099 /nfs/dbraw/zinc/67/80/99/884678099.db2.gz MWBAPSCOOOLMLG-UHFFFAOYSA-N 0 3 259.306 -1.085 20 0 CAADHN Cn1cnnc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC001324578154 884679116 /nfs/dbraw/zinc/67/91/16/884679116.db2.gz SCXFIWSVHFTABN-SNVBAGLBSA-N 0 3 264.333 -1.179 20 0 CAADHN CC(=O)NCC(=O)N[C@@]1(C)CCN(CCOCCO)C1 ZINC001324571557 884679472 /nfs/dbraw/zinc/67/94/72/884679472.db2.gz MLFRUMBZHQFOOJ-ZDUSSCGKSA-N 0 3 287.360 -1.288 20 0 CAADHN C[C@]1(NC(=O)CC[C@@H]2NC(=O)NC2=O)CCN(CCO)C1 ZINC001324668753 884685985 /nfs/dbraw/zinc/68/59/85/884685985.db2.gz IJPQYMTXEYWJAP-ZANVPECISA-N 0 3 298.343 -1.453 20 0 CAADHN C[C@@]1(NC(=O)CC[C@@H]2NC(=O)NC2=O)CCN(CCO)C1 ZINC001324668752 884687478 /nfs/dbraw/zinc/68/74/78/884687478.db2.gz IJPQYMTXEYWJAP-TVQRCGJNSA-N 0 3 298.343 -1.453 20 0 CAADHN Cn1cc(CN2C[C@@H](O)[C@@H](O)C2)c(=O)n(C)c1=O ZINC001324747429 884691771 /nfs/dbraw/zinc/69/17/71/884691771.db2.gz WROYAHZTATZOIU-DTORHVGOSA-N 0 3 255.274 -2.379 20 0 CAADHN CC1(CNC(=O)CC(N)=O)CCN([C@H]2CCNC2=O)CC1 ZINC001324851918 884693888 /nfs/dbraw/zinc/69/38/88/884693888.db2.gz FLWUVQJPTNSSNO-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC001324859844 884694150 /nfs/dbraw/zinc/69/41/50/884694150.db2.gz ZQLRARGEICNOMY-LBPRGKRZSA-N 0 3 299.327 -1.073 20 0 CAADHN COC(=O)[C@](C)(O)CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC001324859843 884694173 /nfs/dbraw/zinc/69/41/73/884694173.db2.gz ZQLRARGEICNOMY-GFCCVEGCSA-N 0 3 299.327 -1.073 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1nnn(C)n1 ZINC001324843836 884694584 /nfs/dbraw/zinc/69/45/84/884694584.db2.gz AOGUPLNLHRRRSM-VIFPVBQESA-N 0 3 295.347 -1.573 20 0 CAADHN NC(=O)CC1CN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC001325029827 884701291 /nfs/dbraw/zinc/70/12/91/884701291.db2.gz RCTNAPMPZLQESX-NSHDSACASA-N 0 3 266.345 -1.290 20 0 CAADHN CCOCCN1CC[C@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001325125986 884708641 /nfs/dbraw/zinc/70/86/41/884708641.db2.gz JCBQJZIQUNLBPO-ZDUSSCGKSA-N 0 3 299.371 -1.159 20 0 CAADHN CCOCCN1CC[C@@](O)(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001325125984 884710849 /nfs/dbraw/zinc/71/08/49/884710849.db2.gz JCBQJZIQUNLBPO-CYBMUJFWSA-N 0 3 299.371 -1.159 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cccnn1 ZINC001325143097 884714667 /nfs/dbraw/zinc/71/46/67/884714667.db2.gz XIOYLTJKIQJQGV-GFCCVEGCSA-N 0 3 266.301 -1.365 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1ccncn1 ZINC001325143357 884715677 /nfs/dbraw/zinc/71/56/77/884715677.db2.gz ZBSYTLWAYNLNDE-LBPRGKRZSA-N 0 3 266.301 -1.365 20 0 CAADHN NC(=O)C[C@@H]1CCN(CC(=O)N2CCNC2=O)C1 ZINC001325344331 884730185 /nfs/dbraw/zinc/73/01/85/884730185.db2.gz BTAVJBYIICWTJS-QMMMGPOBSA-N 0 3 254.290 -1.265 20 0 CAADHN CNC(=O)CN1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(N)=O)C2 ZINC001325629296 884735585 /nfs/dbraw/zinc/73/55/85/884735585.db2.gz LDHBIQBRCSVQHE-ILWJIGKKSA-N 0 3 282.344 -1.423 20 0 CAADHN CCN1CCN([C@H](C)CNC(=O)C(=O)NC)CC1 ZINC001325661923 884737064 /nfs/dbraw/zinc/73/70/64/884737064.db2.gz HWPHOVFVLPHJMV-SNVBAGLBSA-N 0 3 256.350 -1.125 20 0 CAADHN CN1CCN(CCCNC(=S)NCC(N)=O)CC1 ZINC001325835239 884744092 /nfs/dbraw/zinc/74/40/92/884744092.db2.gz NEECTNCHMNDAIX-UHFFFAOYSA-N 0 3 273.406 -1.427 20 0 CAADHN O=C(N[C@]1(CO)CCCN(CCCO)C1)[C@@H]1CCNC1=O ZINC001325849658 884747131 /nfs/dbraw/zinc/74/71/31/884747131.db2.gz UCCQUMGHIMKIHZ-BXUZGUMPSA-N 0 3 299.371 -1.552 20 0 CAADHN CC(=O)N(CCO)CCN[C@@H]1CCC(=O)NC1=O ZINC001325956625 884750873 /nfs/dbraw/zinc/75/08/73/884750873.db2.gz GJTXXEUMWXINEN-SECBINFHSA-N 0 3 257.290 -1.778 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1C[C@@H]1C ZINC001325971441 884751120 /nfs/dbraw/zinc/75/11/20/884751120.db2.gz ISADDLDFSWUXSC-UWVGGRQHSA-N 0 3 257.334 -1.201 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1CCCO1 ZINC001325969798 884752860 /nfs/dbraw/zinc/75/28/60/884752860.db2.gz VYBFTJMLIUKLBY-VIFPVBQESA-N 0 3 259.306 -1.939 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1cn[nH]c1 ZINC001325985009 884753732 /nfs/dbraw/zinc/75/37/32/884753732.db2.gz ZXBNYVNZYFRMJG-UHFFFAOYSA-N 0 3 283.332 -1.478 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1cncs1 ZINC001325984880 884754396 /nfs/dbraw/zinc/75/43/96/884754396.db2.gz YGRSRKURASFKHX-UHFFFAOYSA-N 0 3 272.330 -1.348 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)Cc1ccon1 ZINC001325997358 884754511 /nfs/dbraw/zinc/75/45/11/884754511.db2.gz LTCJHXNCTRMYNU-UHFFFAOYSA-N 0 3 284.316 -1.626 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@H]1CCNC(=O)C1 ZINC001326002036 884755633 /nfs/dbraw/zinc/75/56/33/884755633.db2.gz SDAUMRAFFNTYMW-VIFPVBQESA-N 0 3 286.332 -2.592 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N1CC(CO)C1 ZINC001326013377 884756812 /nfs/dbraw/zinc/75/68/12/884756812.db2.gz NNQFSGYDKVLBQJ-RYUDHWBXSA-N 0 3 297.355 -1.584 20 0 CAADHN CC(C)C(=O)N(CCO)CCN[C@H]1CCC(=O)NC1=O ZINC001325981296 884757097 /nfs/dbraw/zinc/75/70/97/884757097.db2.gz YWIPIIZRBAMPCU-JTQLQIEISA-N 0 3 285.344 -1.142 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)N(CCO)CCNCCF ZINC001326032980 884759888 /nfs/dbraw/zinc/75/98/88/884759888.db2.gz ILOGRDLZJVOGTH-JTQLQIEISA-N 0 3 275.324 -1.107 20 0 CAADHN O=C(C[C@H]1CNCCO1)NCCN1C(=O)CNC1=O ZINC001326013483 884760807 /nfs/dbraw/zinc/76/08/07/884760807.db2.gz DXTSMVPQCHPHRB-QMMMGPOBSA-N 0 3 270.289 -1.967 20 0 CAADHN NC(=O)NC(=O)CCNC(=O)C[C@@H]1CNCCO1 ZINC001326059643 884761851 /nfs/dbraw/zinc/76/18/51/884761851.db2.gz DXZURXPBIQPPKY-SSDOTTSWSA-N 0 3 258.278 -1.934 20 0 CAADHN O=C(CN1CCNC(=O)C1)N(CCO)CCNCCF ZINC001326070731 884762518 /nfs/dbraw/zinc/76/25/18/884762518.db2.gz SDEIVAZPBLKKCZ-UHFFFAOYSA-N 0 3 290.339 -2.202 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)c1c[nH]nc1C ZINC001326065647 884762825 /nfs/dbraw/zinc/76/28/25/884762825.db2.gz BGZUPJYARCRJMA-UHFFFAOYSA-N 0 3 297.359 -1.122 20 0 CAADHN COCCNCC(=O)NC[C@@H](O)c1cnn(C)c1 ZINC001326051773 884762979 /nfs/dbraw/zinc/76/29/79/884762979.db2.gz DRMKPGIKVRRIBS-SNVBAGLBSA-N 0 3 256.306 -1.194 20 0 CAADHN COc1nccc(C(=O)N(CCO)CCNCC(N)=O)n1 ZINC001326057063 884763037 /nfs/dbraw/zinc/76/30/37/884763037.db2.gz SNAIBLCHFCMLPX-UHFFFAOYSA-N 0 3 297.315 -2.005 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H]1C[C@H](C)CO1 ZINC001326061795 884763524 /nfs/dbraw/zinc/76/35/24/884763524.db2.gz GCKRBFKUXYWKPW-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN COc1cnc(C(=O)N(CCO)CCNCC(N)=O)nc1 ZINC001326057032 884763819 /nfs/dbraw/zinc/76/38/19/884763819.db2.gz SFHDQQQWPCNRRG-UHFFFAOYSA-N 0 3 297.315 -2.005 20 0 CAADHN NC(=O)NC(=O)CCNC(=O)C[C@H]1CNCCO1 ZINC001326059645 884764440 /nfs/dbraw/zinc/76/44/40/884764440.db2.gz DXZURXPBIQPPKY-ZETCQYMHSA-N 0 3 258.278 -1.934 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1C[C@H](C)CO1 ZINC001326061797 884764708 /nfs/dbraw/zinc/76/47/08/884764708.db2.gz GCKRBFKUXYWKPW-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)N(CCO)CCNCC(=O)NC(N)=O ZINC001326073802 884765833 /nfs/dbraw/zinc/76/58/33/884765833.db2.gz MXMHIUBWHNCACZ-IUCAKERBSA-N 0 3 286.332 -1.752 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1nc[nH]n1 ZINC001326106855 884767925 /nfs/dbraw/zinc/76/79/25/884767925.db2.gz DZVDIYFHAWMYEH-UHFFFAOYSA-N 0 3 270.293 -2.425 20 0 CAADHN NC(=O)C1=NO[C@@H](CNC[C@H](O)Cn2cccn2)C1 ZINC001326155303 884770314 /nfs/dbraw/zinc/77/03/14/884770314.db2.gz DEDDMMHIEOYCMQ-DTWKUNHWSA-N 0 3 267.289 -1.536 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NC[C@@H]1CNCCO1 ZINC001326142144 884769230 /nfs/dbraw/zinc/76/92/30/884769230.db2.gz MKBKEIARDOVNCD-VIFPVBQESA-N 0 3 264.347 -1.086 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1ccncn1 ZINC001326119809 884770473 /nfs/dbraw/zinc/77/04/73/884770473.db2.gz QVBOAGPEUATSQR-UHFFFAOYSA-N 0 3 267.289 -2.014 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NC[C@H]1CNCCO1 ZINC001326142143 884770125 /nfs/dbraw/zinc/77/01/25/884770125.db2.gz MKBKEIARDOVNCD-SECBINFHSA-N 0 3 264.347 -1.086 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1ncccn1 ZINC001326119341 884770883 /nfs/dbraw/zinc/77/08/83/884770883.db2.gz MQSIYSOXCKLVFL-UHFFFAOYSA-N 0 3 281.316 -1.753 20 0 CAADHN NC(=O)C1=NO[C@H](CNC[C@H](O)Cn2cccn2)C1 ZINC001326155304 884770960 /nfs/dbraw/zinc/77/09/60/884770960.db2.gz DEDDMMHIEOYCMQ-IUCAKERBSA-N 0 3 267.289 -1.536 20 0 CAADHN C[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNCC(N)=O ZINC001326120492 884771657 /nfs/dbraw/zinc/77/16/57/884771657.db2.gz ZQGHYZLMEFSBND-VHSXEESVSA-N 0 3 273.333 -1.693 20 0 CAADHN NC(=O)[C@H](O)CNCCC(=O)Nc1cccnc1 ZINC001326202588 884774524 /nfs/dbraw/zinc/77/45/24/884774524.db2.gz SGYJHXURBRWPFE-SECBINFHSA-N 0 3 252.274 -1.154 20 0 CAADHN NCC(=O)NCC(=O)NCCCCN1CCOCC1 ZINC001326298266 884779951 /nfs/dbraw/zinc/77/99/51/884779951.db2.gz HTHHNOKFIUAWPK-UHFFFAOYSA-N 0 3 272.349 -1.710 20 0 CAADHN C[C@H](N)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC001326304932 884781010 /nfs/dbraw/zinc/78/10/10/884781010.db2.gz BQGNJYAUARCCSO-ZETCQYMHSA-N 0 3 276.318 -1.443 20 0 CAADHN NC(=O)C[NH2+]CC[C@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001326299977 884781571 /nfs/dbraw/zinc/78/15/71/884781571.db2.gz CDVUJUYYJFBIGG-QMMMGPOBSA-N 0 3 266.305 -1.268 20 0 CAADHN NC(=O)COCCNC(=O)CNC[C@H]1CCCO1 ZINC001326338728 884784036 /nfs/dbraw/zinc/78/40/36/884784036.db2.gz AOQAQQVYHGZGDW-SECBINFHSA-N 0 3 259.306 -1.627 20 0 CAADHN Cn1cc(CNC(=O)NC[C@H]2CNCCO2)nn1 ZINC001326535837 884804451 /nfs/dbraw/zinc/80/44/51/884804451.db2.gz ZBFDXISUPTTYNY-SECBINFHSA-N 0 3 254.294 -1.397 20 0 CAADHN COCCNCC(=O)NCCN1C(=O)CNC1=O ZINC001326796901 884831489 /nfs/dbraw/zinc/83/14/89/884831489.db2.gz FJGGUEFOKNHGNT-UHFFFAOYSA-N 0 3 258.278 -2.110 20 0 CAADHN CC(C)S(=O)(=O)CCNCCC(=O)NC(N)=O ZINC001326597009 884812634 /nfs/dbraw/zinc/81/26/34/884812634.db2.gz QOUYSADDVGADDE-UHFFFAOYSA-N 0 3 265.335 -1.016 20 0 CAADHN CO[C@H](C)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001326952445 884851544 /nfs/dbraw/zinc/85/15/44/884851544.db2.gz ZFCJPINCFCRAHF-RKDXNWHRSA-N 0 3 259.306 -1.676 20 0 CAADHN CC(C)(C)[C@H](NCC(=O)N1CCNCC1)C(N)=O ZINC001327088359 884861368 /nfs/dbraw/zinc/86/13/68/884861368.db2.gz ZAMXHNOFRXHGMN-SNVBAGLBSA-N 0 3 256.350 -1.092 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001326753679 884824839 /nfs/dbraw/zinc/82/48/39/884824839.db2.gz OYFHNASSQLBMSB-JTQLQIEISA-N 0 3 296.371 -1.114 20 0 CAADHN Cc1noc(CN(C)C(=O)C(=O)NC[C@H]2CNCCO2)n1 ZINC001326807058 884836609 /nfs/dbraw/zinc/83/66/09/884836609.db2.gz KFDDZUCBUQIIJY-SECBINFHSA-N 0 3 297.315 -1.559 20 0 CAADHN O=C([C@H]1CCNC(=O)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001326824560 884837664 /nfs/dbraw/zinc/83/76/64/884837664.db2.gz XHZDEMXDOVWDRP-GARJFASQSA-N 0 3 267.329 -1.210 20 0 CAADHN CCc1nncn1CCNC(=O)C(=O)N(C)CCN(C)C ZINC001326871715 884843023 /nfs/dbraw/zinc/84/30/23/884843023.db2.gz ZVQPWWMGXCKYQD-UHFFFAOYSA-N 0 3 296.375 -1.023 20 0 CAADHN CNC(=O)CNC1(CNC(=O)C2(C(=O)NC)CC2)CCC1 ZINC001326903186 884846241 /nfs/dbraw/zinc/84/62/41/884846241.db2.gz MMAMIOBQHSOWFG-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@@H]2CNCCO2)c[nH]1 ZINC001326937315 884847719 /nfs/dbraw/zinc/84/77/19/884847719.db2.gz LCXIMSGCCVEQOU-QMMMGPOBSA-N 0 3 252.274 -1.168 20 0 CAADHN CO[C@@H](C)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001326952444 884850666 /nfs/dbraw/zinc/85/06/66/884850666.db2.gz ZFCJPINCFCRAHF-IUCAKERBSA-N 0 3 259.306 -1.676 20 0 CAADHN CO[C@H](C)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001326952442 884850294 /nfs/dbraw/zinc/85/02/94/884850294.db2.gz ZFCJPINCFCRAHF-BDAKNGLRSA-N 0 3 259.306 -1.676 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)C2CC2)CCO1 ZINC001326942181 884850408 /nfs/dbraw/zinc/85/04/08/884850408.db2.gz FDPHOKARLRMCIT-JTQLQIEISA-N 0 3 255.318 -1.041 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001327021801 884853036 /nfs/dbraw/zinc/85/30/36/884853036.db2.gz YMOZTSZEXFWABM-ZETCQYMHSA-N 0 3 258.278 -2.965 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001327021799 884854086 /nfs/dbraw/zinc/85/40/86/884854086.db2.gz YMOZTSZEXFWABM-SSDOTTSWSA-N 0 3 258.278 -2.965 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H](CNCC(=O)N2CCCC2)C1 ZINC001327020689 884854613 /nfs/dbraw/zinc/85/46/13/884854613.db2.gz QMEQDMQWGNHCJQ-JTQLQIEISA-N 0 3 298.343 -2.089 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)CNCCOC)CCO1 ZINC001327108084 884863256 /nfs/dbraw/zinc/86/32/56/884863256.db2.gz ZGEQLHXVSNIHCX-VIFPVBQESA-N 0 3 259.306 -1.804 20 0 CAADHN NC(=O)CNC(=S)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001327197529 884866608 /nfs/dbraw/zinc/86/66/08/884866608.db2.gz NYVDATGVLPITIM-JGVFFNPUSA-N 0 3 258.347 -1.903 20 0 CAADHN CN(CC1=CCCOC1)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC001327487701 884893162 /nfs/dbraw/zinc/89/31/62/884893162.db2.gz YZNXSBQMYBMFEM-GFCCVEGCSA-N 0 3 297.355 -1.104 20 0 CAADHN O[C@@H]1CN(C/C=C\CN2C[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001327617966 884914041 /nfs/dbraw/zinc/91/40/41/884914041.db2.gz YFIXVUYEFJFCRU-MQOWWWJOSA-N 0 3 258.318 -2.383 20 0 CAADHN O=C(CCN1C(=O)CCC1=O)N1CCOC2(CNC2)C1 ZINC001327642426 884914612 /nfs/dbraw/zinc/91/46/12/884914612.db2.gz IOSAOQGXEPPRBQ-UHFFFAOYSA-N 0 3 281.312 -1.274 20 0 CAADHN NC(=O)C(=O)NC1(CNCC(=O)N2CCC2)CCOCC1 ZINC001327655419 884916496 /nfs/dbraw/zinc/91/64/96/884916496.db2.gz BMZRSBWHBXYEKN-UHFFFAOYSA-N 0 3 298.343 -2.041 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCCS(C)(=O)=O ZINC001327742681 884925185 /nfs/dbraw/zinc/92/51/85/884925185.db2.gz VTCFJLFOYFLVCO-UHFFFAOYSA-N 0 3 293.389 -1.443 20 0 CAADHN COC(=O)N1CC(NC(=O)C(=O)NCCN(C)C2CC2)C1 ZINC001327824213 884928333 /nfs/dbraw/zinc/92/83/33/884928333.db2.gz UULBQCXRPKLQHD-UHFFFAOYSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N[C@H](CN)C1CC1)S(C)(=O)=O ZINC001327840737 884930931 /nfs/dbraw/zinc/93/09/31/884930931.db2.gz IUIVYBNEYNKGPN-IONNQARKSA-N 0 3 291.373 -1.611 20 0 CAADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCOCC2)n1 ZINC001327856872 884931129 /nfs/dbraw/zinc/93/11/29/884931129.db2.gz BCBYAMIOMFGZPT-UHFFFAOYSA-N 0 3 295.299 -1.884 20 0 CAADHN O=C(NC[C@@H]1CCCO1)C(=O)NC[C@H]1CNCCO1 ZINC001327840967 884934009 /nfs/dbraw/zinc/93/40/09/884934009.db2.gz KDYQTPYKFNSNMU-VHSXEESVSA-N 0 3 271.317 -1.614 20 0 CAADHN CN(CCNS(C)(=O)=O)C[C@@H]1CNCCO1 ZINC001327917006 884937402 /nfs/dbraw/zinc/93/74/02/884937402.db2.gz JIWQNAGXKPZURA-VIFPVBQESA-N 0 3 251.352 -1.544 20 0 CAADHN NC[C@H]1CC(C(=O)N[C@H]2CCS(=O)(=O)C2)=NO1 ZINC001327915708 884937443 /nfs/dbraw/zinc/93/74/43/884937443.db2.gz CNHXEZVIANDQPJ-NKWVEPMBSA-N 0 3 261.303 -1.607 20 0 CAADHN CCCNC(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001327903527 884938386 /nfs/dbraw/zinc/93/83/86/884938386.db2.gz OJZLEUJOZCNJTP-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CCS(=O)(=O)C[C@@H](C)NCCC(=O)NC(N)=O ZINC001327979209 884946973 /nfs/dbraw/zinc/94/69/73/884946973.db2.gz UYXVLYAHIXOOBI-SSDOTTSWSA-N 0 3 265.335 -1.016 20 0 CAADHN COCC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001328127875 884953886 /nfs/dbraw/zinc/95/38/86/884953886.db2.gz KDVNXTGZHBMOSS-UHFFFAOYSA-N 0 3 259.306 -1.939 20 0 CAADHN COCCNCC(=O)NCCCN1C(=O)CNC1=O ZINC001328174532 884960048 /nfs/dbraw/zinc/96/00/48/884960048.db2.gz NOCMSEBYSHRWHU-UHFFFAOYSA-N 0 3 272.305 -1.720 20 0 CAADHN COCCNCC(=O)NCCN1CCS(=O)(=O)CC1 ZINC001328204327 884960852 /nfs/dbraw/zinc/96/08/52/884960852.db2.gz DEMUIMIAIUYAFZ-UHFFFAOYSA-N 0 3 293.389 -1.931 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCNC(=O)CC2)C1 ZINC001328276052 884962729 /nfs/dbraw/zinc/96/27/29/884962729.db2.gz JXRNWTBFOKZDEJ-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)C1 ZINC001328276147 884964402 /nfs/dbraw/zinc/96/44/02/884964402.db2.gz MKGSPAYHUBJNFR-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CCNC2=O)C1 ZINC001328276149 884964570 /nfs/dbraw/zinc/96/45/70/884964570.db2.gz MKGSPAYHUBJNFR-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1(S(N)(=O)=O)CC1 ZINC001328317963 884967110 /nfs/dbraw/zinc/96/71/10/884967110.db2.gz VPUOWOYLOUSMLX-ZETCQYMHSA-N 0 3 265.335 -2.154 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1(S(N)(=O)=O)CC1 ZINC001328317962 884969658 /nfs/dbraw/zinc/96/96/58/884969658.db2.gz VPUOWOYLOUSMLX-SSDOTTSWSA-N 0 3 265.335 -2.154 20 0 CAADHN CCS(=O)(=O)CCNC[C@H](O)CN1CCCC1=O ZINC001328378716 884975479 /nfs/dbraw/zinc/97/54/79/884975479.db2.gz DUTNRCQPTMDYFF-JTQLQIEISA-N 0 3 278.374 -1.006 20 0 CAADHN C[C@]12COC[C@H]1CN(C(=O)C(=O)NC[C@@H]1CNCCO1)C2 ZINC001328371117 884975883 /nfs/dbraw/zinc/97/58/83/884975883.db2.gz XOSLLIGYFCWBOL-SUNKGSAMSA-N 0 3 297.355 -1.414 20 0 CAADHN COCCNCC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001328521913 884996247 /nfs/dbraw/zinc/99/62/47/884996247.db2.gz FKLIMEPSWBAFND-BDAKNGLRSA-N 0 3 259.306 -1.629 20 0 CAADHN COCCNCC(=O)NC[C@H]1CC[C@H](C(N)=O)O1 ZINC001328521928 884997749 /nfs/dbraw/zinc/99/77/49/884997749.db2.gz FKLIMEPSWBAFND-RKDXNWHRSA-N 0 3 259.306 -1.629 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@H]1CNCC(=O)NCC1CC1 ZINC001328643661 885007405 /nfs/dbraw/zinc/00/74/05/885007405.db2.gz FSNDMTRPAJQEQQ-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN CN(C)CCONC(=O)c1nccnc1C(N)=O ZINC001328743435 885019301 /nfs/dbraw/zinc/01/93/01/885019301.db2.gz ICHRRRVFSYEQEY-UHFFFAOYSA-N 0 3 253.262 -1.202 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)C(F)F ZINC001328972794 885040622 /nfs/dbraw/zinc/04/06/22/885040622.db2.gz ZKKTYEBCWOPFPX-WHFBIAKZSA-N 0 3 266.248 -1.071 20 0 CAADHN CN(CCNS(C)(=O)=O)CC[C@@H]1CCNC1=O ZINC001329001366 885043917 /nfs/dbraw/zinc/04/39/17/885043917.db2.gz YMOIWXUBYYFQEZ-VIFPVBQESA-N 0 3 263.363 -1.006 20 0 CAADHN CN(Cc1cn(C)nn1)C(=O)C(=O)NCCN(C)C1CC1 ZINC001328865566 885029138 /nfs/dbraw/zinc/02/91/38/885029138.db2.gz CBRKSZUVXSNTKN-UHFFFAOYSA-N 0 3 294.359 -1.016 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)C1 ZINC001328886841 885033081 /nfs/dbraw/zinc/03/30/81/885033081.db2.gz KIQCYCHTHAXDGO-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CC(=O)N(C)C2)C1 ZINC001328886840 885033795 /nfs/dbraw/zinc/03/37/95/885033795.db2.gz KIQCYCHTHAXDGO-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)C(F)F ZINC001328972793 885040157 /nfs/dbraw/zinc/04/01/57/885040157.db2.gz ZKKTYEBCWOPFPX-UHNVWZDZSA-N 0 3 266.248 -1.071 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001328976503 885040955 /nfs/dbraw/zinc/04/09/55/885040955.db2.gz ALAUGAGVYXJKEC-RQJHMYQMSA-N 0 3 255.282 -2.359 20 0 CAADHN C[C@@H](NCCS(C)(=O)=O)[C@H](C)NC(=O)CC(N)=O ZINC001329008678 885047040 /nfs/dbraw/zinc/04/70/40/885047040.db2.gz NTNATLXLNWSDFD-SFYZADRCSA-N 0 3 279.362 -1.611 20 0 CAADHN O=C([C@H]1CCNC1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001329062823 885054040 /nfs/dbraw/zinc/05/40/40/885054040.db2.gz SYBFWHQZVTZVGW-DCAQKATOSA-N 0 3 267.329 -1.210 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001329058709 885054614 /nfs/dbraw/zinc/05/46/14/885054614.db2.gz CIGWZSYSBWGWRK-GHMZBOCLSA-N 0 3 265.317 -1.054 20 0 CAADHN C[C@@H](NCC(=O)N1CCOCC1)[C@@H](C)NC(=O)C(N)=O ZINC001329113576 885064109 /nfs/dbraw/zinc/06/41/09/885064109.db2.gz XBULWFRIACOXPT-RKDXNWHRSA-N 0 3 286.332 -2.187 20 0 CAADHN CC(C)CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C(N)=O ZINC001329108013 885064374 /nfs/dbraw/zinc/06/43/74/885064374.db2.gz GWZKEYCBFOPTTG-IUCAKERBSA-N 0 3 272.349 -1.273 20 0 CAADHN C[C@@H](NC(=O)c1c[nH]c(=O)cn1)[C@H](C)NCC(N)=O ZINC001329110285 885064794 /nfs/dbraw/zinc/06/47/94/885064794.db2.gz NXGHJDABZAPGHT-NKWVEPMBSA-N 0 3 267.289 -1.648 20 0 CAADHN CCN(CC)C(=O)CN[C@H](C)[C@H](C)NC(=O)C(N)=O ZINC001329108055 885065037 /nfs/dbraw/zinc/06/50/37/885065037.db2.gz HLQCQXIJEOMVOD-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](NCC(=O)N1CCOCC1)[C@H](C)NC(=O)C(N)=O ZINC001329113563 885065104 /nfs/dbraw/zinc/06/51/04/885065104.db2.gz XBULWFRIACOXPT-BDAKNGLRSA-N 0 3 286.332 -2.187 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001329108750 885065138 /nfs/dbraw/zinc/06/51/38/885065138.db2.gz ISOPVSCLCDOHSD-JGVFFNPUSA-N 0 3 270.333 -1.519 20 0 CAADHN CCN(CC)C(=O)CN[C@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001329108061 885065166 /nfs/dbraw/zinc/06/51/66/885065166.db2.gz HLQCQXIJEOMVOD-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001329108749 885065603 /nfs/dbraw/zinc/06/56/03/885065603.db2.gz ISOPVSCLCDOHSD-HTQZYQBOSA-N 0 3 270.333 -1.519 20 0 CAADHN O=C(NCCCn1cncn1)C(=O)N1CCCNCC1 ZINC001329108922 885066114 /nfs/dbraw/zinc/06/61/14/885066114.db2.gz RDWIZXSQNAEISZ-UHFFFAOYSA-N 0 3 280.332 -1.394 20 0 CAADHN CS(=O)(=O)CCNC[C@H]1CC[C@H](C(N)=O)O1 ZINC001329143891 885069938 /nfs/dbraw/zinc/06/99/38/885069938.db2.gz XTZAYOBMMPKHOP-HTQZYQBOSA-N 0 3 250.320 -1.347 20 0 CAADHN CS(=O)(=O)CCNC[C@@H]1CC[C@H](C(N)=O)O1 ZINC001329143892 885070327 /nfs/dbraw/zinc/07/03/27/885070327.db2.gz XTZAYOBMMPKHOP-JGVFFNPUSA-N 0 3 250.320 -1.347 20 0 CAADHN CNC(=O)[C@@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC001329173759 885071835 /nfs/dbraw/zinc/07/18/35/885071835.db2.gz ARRYDSLMAKTLSS-YFKPBYRVSA-N 0 3 253.266 -2.013 20 0 CAADHN Cc1nnc(CC(=O)NCCN2CC[C@H](O)C2)[nH]1 ZINC001329166482 885071885 /nfs/dbraw/zinc/07/18/85/885071885.db2.gz MQTGLFSMCQCHIX-VIFPVBQESA-N 0 3 253.306 -1.162 20 0 CAADHN O=C(CCn1ccnn1)NCCN1CC[C@H](O)C1 ZINC001329165212 885074442 /nfs/dbraw/zinc/07/44/42/885074442.db2.gz FMZJPFPYXJLRRC-JTQLQIEISA-N 0 3 253.306 -1.149 20 0 CAADHN CCn1nc(C(=O)NC[C@@H]2CNCCO2)ccc1=O ZINC001329270224 885086192 /nfs/dbraw/zinc/08/61/92/885086192.db2.gz SHLLFUSBGVZMGQ-VIFPVBQESA-N 0 3 266.301 -1.019 20 0 CAADHN CN(C)CCONC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC001329321553 885088636 /nfs/dbraw/zinc/08/86/36/885088636.db2.gz OPXJXNZFXNSBRA-SNVBAGLBSA-N 0 3 272.305 -1.541 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)N(C)CCN1C(=O)CCC1=O ZINC001329410026 885099071 /nfs/dbraw/zinc/09/90/71/885099071.db2.gz MRSGFJFAFBTNFO-VIFPVBQESA-N 0 3 298.343 -1.553 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)CC1 ZINC001329432341 885100570 /nfs/dbraw/zinc/10/05/70/885100570.db2.gz FARLSKGMZCBAIK-NXEZZACHSA-N 0 3 267.329 -1.081 20 0 CAADHN C[C@@H]1C[C@H]1NC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001329466186 885108256 /nfs/dbraw/zinc/10/82/56/885108256.db2.gz OKQOLHSYCZKSIK-HTRCEHHLSA-N 0 3 279.300 -1.218 20 0 CAADHN CC(=O)NCCOCCN(C)[C@H](C)CNC(=O)C(N)=O ZINC001329529511 885114860 /nfs/dbraw/zinc/11/48/60/885114860.db2.gz CBFBNXCRJWEVEW-SECBINFHSA-N 0 3 288.348 -1.939 20 0 CAADHN NC1(C(=O)NC[C@]23COC(=O)N2CCOC3)CC1 ZINC001329646220 885127262 /nfs/dbraw/zinc/12/72/62/885127262.db2.gz ILXYGDMDPIBINT-JTQLQIEISA-N 0 3 255.274 -1.185 20 0 CAADHN COCc1nc(C(=O)NC[C@H]2CNCCO2)no1 ZINC001329668607 885130675 /nfs/dbraw/zinc/13/06/75/885130675.db2.gz XTIGUCDMVRVEFD-SSDOTTSWSA-N 0 3 256.262 -1.066 20 0 CAADHN CS(=O)(=O)CCNC[C@@]12COCCN1C(=O)COC2 ZINC001329701279 885132406 /nfs/dbraw/zinc/13/24/06/885132406.db2.gz HRZAJNISWKLDSW-NSHDSACASA-N 0 3 292.357 -1.752 20 0 CAADHN O=C(NCCN1CCCC1=O)C(=O)NC[C@H]1CNCCO1 ZINC001329726191 885136038 /nfs/dbraw/zinc/13/60/38/885136038.db2.gz CJKAWDZNTJNBAW-SNVBAGLBSA-N 0 3 298.343 -2.170 20 0 CAADHN NC(=O)C(=O)NC1(CN[C@H]2CCNC2=O)CCCCC1 ZINC001329845697 885145912 /nfs/dbraw/zinc/14/59/12/885145912.db2.gz KLZZBBUKWHIJSJ-VIFPVBQESA-N 0 3 282.344 -1.231 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N[C@H](C)CN ZINC001329844523 885146018 /nfs/dbraw/zinc/14/60/18/885146018.db2.gz ZOBUOAFDMWAJLR-GJMOJQLCSA-N 0 3 293.345 -2.622 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)CCN ZINC001329843331 885146490 /nfs/dbraw/zinc/14/64/90/885146490.db2.gz PWOUBIFUOZURHJ-YUMQZZPRSA-N 0 3 293.345 -2.668 20 0 CAADHN CCS(=O)(=O)C1(CNC(=O)C(=O)N[C@H](C)CN)CC1 ZINC001329844497 885147093 /nfs/dbraw/zinc/14/70/93/885147093.db2.gz YWTPLEFESZTCJI-MRVPVSSYSA-N 0 3 291.373 -1.467 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N[C@H](C)CN ZINC001329844521 885147374 /nfs/dbraw/zinc/14/73/74/885147374.db2.gz ZOBUOAFDMWAJLR-BWZBUEFSSA-N 0 3 293.345 -2.622 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC001329843639 885147443 /nfs/dbraw/zinc/14/74/43/885147443.db2.gz QEBNVTIAMCZEGO-DJLDLDEBSA-N 0 3 291.373 -1.468 20 0 CAADHN NC(=O)C(=O)NC1(CN[C@@H]2CCNC2=O)CCCCC1 ZINC001329845696 885147459 /nfs/dbraw/zinc/14/74/59/885147459.db2.gz KLZZBBUKWHIJSJ-SECBINFHSA-N 0 3 282.344 -1.231 20 0 CAADHN CC(=O)NCCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001329883977 885153205 /nfs/dbraw/zinc/15/32/05/885153205.db2.gz JQKRDQQEHBDTSV-NWDGAFQWSA-N 0 3 284.360 -1.027 20 0 CAADHN COC(=O)[C@@H]1OCC[C@@H]1NCCC(=O)NC(N)=O ZINC001329914251 885154137 /nfs/dbraw/zinc/15/41/37/885154137.db2.gz YADXOURBRFPHMU-POYBYMJQSA-N 0 3 259.262 -1.509 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001329936382 885156957 /nfs/dbraw/zinc/15/69/57/885156957.db2.gz CIDTZSCCLZZGBH-DCAQKATOSA-N 0 3 267.329 -1.068 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001329924756 885157426 /nfs/dbraw/zinc/15/74/26/885157426.db2.gz LSFWEPKJERSBLD-LPEHRKFASA-N 0 3 255.318 -1.225 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)Nc1ccn(CCF)n1 ZINC001329939003 885157542 /nfs/dbraw/zinc/15/75/42/885157542.db2.gz QANXYJRGSRHZCS-VIFPVBQESA-N 0 3 299.306 -1.104 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)Nc1cnn(CCF)c1 ZINC001329990391 885162661 /nfs/dbraw/zinc/16/26/61/885162661.db2.gz RXKVIRNQXIXKIP-SNVBAGLBSA-N 0 3 299.306 -1.104 20 0 CAADHN Cc1nccn1CCNC(=O)C(=O)NC[C@H]1COCCN1 ZINC001330025345 885167334 /nfs/dbraw/zinc/16/73/34/885167334.db2.gz WYPFIDGEJXCGLW-NSHDSACASA-N 0 3 295.343 -1.588 20 0 CAADHN CSCCNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001330530698 885203787 /nfs/dbraw/zinc/20/37/87/885203787.db2.gz XYQSFKDSWGNBMT-QMMMGPOBSA-N 0 3 261.347 -1.430 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC001330041787 885170218 /nfs/dbraw/zinc/17/02/18/885170218.db2.gz UPAMCYKOAWYNPM-GRYCIOLGSA-N 0 3 297.355 -1.129 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)C1CN(C[C@H]2CCc3ncnn32)C1 ZINC001330048710 885170799 /nfs/dbraw/zinc/17/07/99/885170799.db2.gz QEFMVIGOEUQLKY-PSASIEDQSA-N 0 3 292.343 -1.313 20 0 CAADHN CN1C(=O)CN(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1=O ZINC001330086144 885175459 /nfs/dbraw/zinc/17/54/59/885175459.db2.gz UKOXOFMWMGCNJB-VHSXEESVSA-N 0 3 296.327 -1.842 20 0 CAADHN O=C(CCCN1C(=O)CNC1=O)N1CCOC2(CNC2)C1 ZINC001330097727 885176605 /nfs/dbraw/zinc/17/66/05/885176605.db2.gz MRRXGRWQDOUWFS-UHFFFAOYSA-N 0 3 296.327 -1.481 20 0 CAADHN CN(CCNC(=O)C(=O)Nc1ncn(C)n1)C1CC1 ZINC001330357235 885188958 /nfs/dbraw/zinc/18/89/58/885188958.db2.gz RKZMSYFSLYKWGL-UHFFFAOYSA-N 0 3 266.305 -1.036 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)NCCn2cncn2)C1 ZINC001330316750 885189901 /nfs/dbraw/zinc/18/99/01/885189901.db2.gz WDGAGYDXEKANBR-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN N[C@@H]1CN(C(=O)c2nc3n(n2)CCCN3)CC[C@H]1F ZINC001330600851 885211298 /nfs/dbraw/zinc/21/12/98/885211298.db2.gz OIVGWGKAQFUZSD-HTQZYQBOSA-N 0 3 268.296 -1.138 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2CNC(=O)C2)C1 ZINC001330627562 885213649 /nfs/dbraw/zinc/21/36/49/885213649.db2.gz AQLVKIXVVCINSS-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CNC(=O)C2)C1 ZINC001330627564 885214969 /nfs/dbraw/zinc/21/49/69/885214969.db2.gz AQLVKIXVVCINSS-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)C[C@H]3CNCCO3)C[C@H]2C1=O ZINC001330647941 885216597 /nfs/dbraw/zinc/21/65/97/885216597.db2.gz KIXISOPZVGMERU-LPEHRKFASA-N 0 3 281.312 -1.562 20 0 CAADHN CN1C(=O)NC2(CCN(CCn3cnnn3)CC2)C1=O ZINC001330670879 885219241 /nfs/dbraw/zinc/21/92/41/885219241.db2.gz CLVXEWVMCJXRPC-UHFFFAOYSA-N 0 3 279.304 -1.311 20 0 CAADHN COC(=O)[C@](C)(O)CN1CCC(CO)(CO)CC1 ZINC001330723534 885224570 /nfs/dbraw/zinc/22/45/70/885224570.db2.gz YPZFWUCLQVHHBZ-LLVKDONJSA-N 0 3 261.318 -1.023 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NCCN1CC[C@H](O)C1 ZINC001330736171 885228481 /nfs/dbraw/zinc/22/84/81/885228481.db2.gz HPTGPEKIFYWGCQ-ZJUUUORDSA-N 0 3 255.318 -1.305 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC001330882403 885237012 /nfs/dbraw/zinc/23/70/12/885237012.db2.gz FNJOMENGFYYLSB-QPFGOUBPSA-N 0 3 264.351 -1.304 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@@H](N)CCOC)CCN2C1=O ZINC001330867649 885237083 /nfs/dbraw/zinc/23/70/83/885237083.db2.gz SAMGTHNOCQLXNR-UWVGGRQHSA-N 0 3 298.343 -1.155 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@H](N)CCOC)CCN2C1=O ZINC001330867653 885239117 /nfs/dbraw/zinc/23/91/17/885239117.db2.gz SAMGTHNOCQLXNR-ZJUUUORDSA-N 0 3 298.343 -1.155 20 0 CAADHN C[C@@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccnn1C ZINC001331193442 885262712 /nfs/dbraw/zinc/26/27/12/885262712.db2.gz VHFWILRVFNILFP-ZJUUUORDSA-N 0 3 295.343 -1.298 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cn(C)nn2)C1 ZINC001331245143 885266279 /nfs/dbraw/zinc/26/62/79/885266279.db2.gz PUBWVLBNYWLKOW-IUCAKERBSA-N 0 3 278.316 -1.084 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3cn(C)nn3)[C@@H]2C1 ZINC001331245141 885267344 /nfs/dbraw/zinc/26/73/44/885267344.db2.gz PUBWVLBNYWLKOW-DTWKUNHWSA-N 0 3 278.316 -1.084 20 0 CAADHN CN(C(=O)C(N)=O)[C@@H](CNCC(=O)NC1CC1)C1CC1 ZINC001331318772 885270540 /nfs/dbraw/zinc/27/05/40/885270540.db2.gz MDDGBFHYTXEHAQ-JTQLQIEISA-N 0 3 282.344 -1.423 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CNCCO2)C1 ZINC001331330975 885271844 /nfs/dbraw/zinc/27/18/44/885271844.db2.gz UMNJCPPVSLQBHJ-UTLUCORTSA-N 0 3 255.318 -1.007 20 0 CAADHN COCCO[C@H]1C[C@H](CO)CN(c2nc(N)nc(N)n2)C1 ZINC001331314774 885273336 /nfs/dbraw/zinc/27/33/36/885273336.db2.gz JWGGUBYXAYYQNZ-IUCAKERBSA-N 0 3 298.347 -1.114 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nccnc1N)NCC(N)=O ZINC001331411804 885276288 /nfs/dbraw/zinc/27/62/88/885276288.db2.gz YHWQCVOHMLDOEO-ZETCQYMHSA-N 0 3 266.305 -1.406 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001331519104 885283994 /nfs/dbraw/zinc/28/39/94/885283994.db2.gz MPVONWRQDCAVAM-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN O=C([C@H]1CC(=O)N1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001331571767 885286973 /nfs/dbraw/zinc/28/69/73/885286973.db2.gz GFUGETDLRSVMQE-LPEHRKFASA-N 0 3 253.302 -1.458 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCC(N)=O ZINC001331561961 885288153 /nfs/dbraw/zinc/28/81/53/885288153.db2.gz WTBYVSGAZUQOLL-RNJXMRFFSA-N 0 3 256.306 -1.970 20 0 CAADHN O=C([C@H]1CC(=O)N1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001331571766 885288414 /nfs/dbraw/zinc/28/84/14/885288414.db2.gz GFUGETDLRSVMQE-KXUCPTDWSA-N 0 3 253.302 -1.458 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001331587634 885290458 /nfs/dbraw/zinc/29/04/58/885290458.db2.gz ZZYBJIVTPAKPSR-MRVPVSSYSA-N 0 3 298.343 -1.778 20 0 CAADHN C[C@H](CN(C)C(=O)c1nc[n-]n1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001331599471 885291395 /nfs/dbraw/zinc/29/13/95/885291395.db2.gz XPWZLKUUBRXZJD-HTQZYQBOSA-N 0 3 294.315 -1.340 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1nc[n-]n1 ZINC001331593395 885292250 /nfs/dbraw/zinc/29/22/50/885292250.db2.gz IUGHTGTZWFBPBI-HTQZYQBOSA-N 0 3 268.321 -1.011 20 0 CAADHN CNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1nc[n-]n1 ZINC001331593397 885292377 /nfs/dbraw/zinc/29/23/77/885292377.db2.gz IUGHTGTZWFBPBI-SFYZADRCSA-N 0 3 268.321 -1.011 20 0 CAADHN C[C@H](CN(C)C(=O)CC[C@H]1NC(=O)NC1=O)NCC(N)=O ZINC001331629848 885298754 /nfs/dbraw/zinc/29/87/54/885298754.db2.gz DRUDSWJSAKORRM-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@H](CF)C1 ZINC001331636602 885299443 /nfs/dbraw/zinc/29/94/43/885299443.db2.gz FNYGKYMNYMLWPC-ZJUUUORDSA-N 0 3 273.308 -1.091 20 0 CAADHN C[C@@H](CN(C)C(=O)CC[C@H]1NC(=O)NC1=O)NCC(N)=O ZINC001331629852 885299983 /nfs/dbraw/zinc/29/99/83/885299983.db2.gz DRUDSWJSAKORRM-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CC[C@@H](CF)C1 ZINC001331636600 885300252 /nfs/dbraw/zinc/30/02/52/885300252.db2.gz FNYGKYMNYMLWPC-VHSXEESVSA-N 0 3 273.308 -1.091 20 0 CAADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)NCC(N)=O ZINC001331633569 885300570 /nfs/dbraw/zinc/30/05/70/885300570.db2.gz WOMWEDYYHXUZTK-ZETCQYMHSA-N 0 3 259.310 -2.033 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)CN(C)C(C)=O ZINC001331686728 885308928 /nfs/dbraw/zinc/30/89/28/885308928.db2.gz XFVYPTTWJDBMDW-SNVBAGLBSA-N 0 3 261.322 -1.822 20 0 CAADHN NC(=O)CC(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001331686561 885310660 /nfs/dbraw/zinc/31/06/60/885310660.db2.gz WIGZCWRJSZYBAF-MRVPVSSYSA-N 0 3 287.320 -3.046 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@@H](C)n1cncn1 ZINC001331698891 885316327 /nfs/dbraw/zinc/31/63/27/885316327.db2.gz YEBSZWVVNJPINM-NXEZZACHSA-N 0 3 271.321 -1.448 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cnn(C)c1N ZINC001331709132 885317642 /nfs/dbraw/zinc/31/76/42/885317642.db2.gz VUEFLAPCESDZIN-MRVPVSSYSA-N 0 3 271.321 -1.671 20 0 CAADHN O=C(CCn1cncn1)NCCN1CC[C@@H](O)C1 ZINC001331722792 885324007 /nfs/dbraw/zinc/32/40/07/885324007.db2.gz LFXLFVRUVXECSQ-SNVBAGLBSA-N 0 3 253.306 -1.149 20 0 CAADHN Cn1ccc(=O)c(C(=O)NC[C@H](CO)NCCO)c1 ZINC001331738877 885326226 /nfs/dbraw/zinc/32/62/26/885326226.db2.gz DYVIXAWMYOBHHL-SECBINFHSA-N 0 3 269.301 -1.942 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001331741228 885330373 /nfs/dbraw/zinc/33/03/73/885330373.db2.gz UHJXYFMDKLJQIZ-SECBINFHSA-N 0 3 287.320 -2.705 20 0 CAADHN CN(C(=O)C(=O)NC[C@H]1CNCCO1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001331744682 885331056 /nfs/dbraw/zinc/33/10/56/885331056.db2.gz KPMASNUXEYDQNC-KXUCPTDWSA-N 0 3 298.343 -2.187 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001331774337 885344466 /nfs/dbraw/zinc/34/44/66/885344466.db2.gz LDWYMPCLMIYDBU-YUMQZZPRSA-N 0 3 260.294 -2.619 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@@]1(C)CCNC1=O ZINC001331788614 885348235 /nfs/dbraw/zinc/34/82/35/885348235.db2.gz XGZGKXYHGYFVIK-CABZTGNLSA-N 0 3 273.333 -1.774 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@@]1(C)CCNC1=O ZINC001331788616 885349110 /nfs/dbraw/zinc/34/91/10/885349110.db2.gz XGZGKXYHGYFVIK-SKDRFNHKSA-N 0 3 273.333 -1.774 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1CCCS1(=O)=O ZINC001331833742 885355058 /nfs/dbraw/zinc/35/50/58/885355058.db2.gz CZOLZMBDUIGLAH-NXEZZACHSA-N 0 3 294.373 -1.723 20 0 CAADHN C[C@H]1[C@H](NCC(=O)N(C)C2CC2)CCN1C(=O)C(N)=O ZINC001331916189 885363101 /nfs/dbraw/zinc/36/31/01/885363101.db2.gz DSCWIPSIBKQIJS-WCBMZHEXSA-N 0 3 282.344 -1.329 20 0 CAADHN CN1CCN(CCCNC(=O)[C@H](O)C(C)(C)O)CC1 ZINC001331921424 885365896 /nfs/dbraw/zinc/36/58/96/885365896.db2.gz TVIQDLBTWOOIEP-NSHDSACASA-N 0 3 273.377 -1.128 20 0 CAADHN CN1CCN(CCCNC(=O)[C@@H](O)C(C)(C)O)CC1 ZINC001331921423 885365974 /nfs/dbraw/zinc/36/59/74/885365974.db2.gz TVIQDLBTWOOIEP-LLVKDONJSA-N 0 3 273.377 -1.128 20 0 CAADHN CN(CC(=O)NC[C@@H]1CNCCO1)S(C)(=O)=O ZINC001331948063 885370314 /nfs/dbraw/zinc/37/03/14/885370314.db2.gz CXCQXHYITUAUMH-QMMMGPOBSA-N 0 3 265.335 -2.018 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2nc[n-]n2)C1 ZINC001332028834 885371701 /nfs/dbraw/zinc/37/17/01/885371701.db2.gz DGNHJZGLCMXSDB-HTQZYQBOSA-N 0 3 266.305 -1.257 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC001332028834 885371685 /nfs/dbraw/zinc/37/16/85/885371685.db2.gz DGNHJZGLCMXSDB-HTQZYQBOSA-N 0 3 266.305 -1.257 20 0 CAADHN COC[C@H](O)CN1CC[C@@]2(NC(=O)C(N)=O)CCC[C@@H]12 ZINC001332110310 885376548 /nfs/dbraw/zinc/37/65/48/885376548.db2.gz INRRPXDTFLEFPE-BREBYQMCSA-N 0 3 285.344 -1.408 20 0 CAADHN Cn1cc(NC(=O)C(=O)N2CCOC3(CNC3)C2)cn1 ZINC001332120480 885380640 /nfs/dbraw/zinc/38/06/40/885380640.db2.gz NLRBNIOWCZEEJB-UHFFFAOYSA-N 0 3 279.300 -1.441 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](C)N ZINC001332124799 885381781 /nfs/dbraw/zinc/38/17/81/885381781.db2.gz MCZJAIUNHJBADH-SFYZADRCSA-N 0 3 256.306 -1.813 20 0 CAADHN NCc1cc(C(=O)NCC(=O)N2CCNCC2)co1 ZINC001332156511 885384207 /nfs/dbraw/zinc/38/42/07/885384207.db2.gz ITDWIHHKPWJSQT-UHFFFAOYSA-N 0 3 266.301 -1.100 20 0 CAADHN O=S(=O)(C[C@H]1CCOC1)N1CCNCCNCC1 ZINC001332333470 885399443 /nfs/dbraw/zinc/39/94/43/885399443.db2.gz BPORVDVSCXUKPM-NSHDSACASA-N 0 3 277.390 -1.153 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CC(N)=O)C(C)(C)C ZINC001332777285 885438892 /nfs/dbraw/zinc/43/88/92/885438892.db2.gz UOPCXPMJFJYVFX-MRVPVSSYSA-N 0 3 272.349 -1.272 20 0 CAADHN CNC(=O)C1(C(=O)NCCN(C)CCOCCO)CC1 ZINC001332334520 885400015 /nfs/dbraw/zinc/40/00/15/885400015.db2.gz CDWTUUAIRRLMCK-UHFFFAOYSA-N 0 3 287.360 -1.431 20 0 CAADHN Cn1nccc1[C@H](O)CNS(=O)(=O)C1CNC1 ZINC001332367400 885403391 /nfs/dbraw/zinc/40/33/91/885403391.db2.gz HEHFTIZTQRHJON-SECBINFHSA-N 0 3 260.319 -1.655 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1NCC(=O)NC1CC1 ZINC001332362293 885403759 /nfs/dbraw/zinc/40/37/59/885403759.db2.gz RWUYQWDTLXOUOJ-JTQLQIEISA-N 0 3 296.371 -1.033 20 0 CAADHN COC[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001332412764 885407912 /nfs/dbraw/zinc/40/79/12/885407912.db2.gz PUGJQVUYDHSRAK-GFCCVEGCSA-N 0 3 298.387 -1.497 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)[C@H]2CCNC2=O)CC1(C)C ZINC001332404992 885408727 /nfs/dbraw/zinc/40/87/27/885408727.db2.gz NVQRJSFZLYEILL-UWVGGRQHSA-N 0 3 296.371 -1.305 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@H]1CCC(=O)NC1=O ZINC001332470414 885410247 /nfs/dbraw/zinc/41/02/47/885410247.db2.gz JKNAQGHCHPJGIB-IUCAKERBSA-N 0 3 287.316 -2.153 20 0 CAADHN COCCNCC(=O)NCc1nnnn1C1CC1 ZINC001332453163 885410379 /nfs/dbraw/zinc/41/03/79/885410379.db2.gz UVIJYIOMWOSTIY-UHFFFAOYSA-N 0 3 254.294 -1.140 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)C(F)F)C(N)=O ZINC001332470374 885411118 /nfs/dbraw/zinc/41/11/18/885411118.db2.gz JHQBAIBAKPRDAH-PHDIDXHHSA-N 0 3 253.249 -1.466 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CN[C@@H]1CCC(=O)NC1=O ZINC001332470991 885411757 /nfs/dbraw/zinc/41/17/57/885411757.db2.gz LUQGKTNUIFCLLI-DTWKUNHWSA-N 0 3 257.290 -1.780 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001332487121 885413288 /nfs/dbraw/zinc/41/32/88/885413288.db2.gz AHXIQFRAQPTDEZ-VIFPVBQESA-N 0 3 269.305 -1.822 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)CC(N)=O ZINC001332486695 885413626 /nfs/dbraw/zinc/41/36/26/885413626.db2.gz AVNVUCCUCUZVJS-VIFPVBQESA-N 0 3 288.348 -2.205 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)CC(N)=O ZINC001332487128 885413653 /nfs/dbraw/zinc/41/36/53/885413653.db2.gz FGVCCZMGTDQFKG-JGVFFNPUSA-N 0 3 272.305 -2.841 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001332477967 885413807 /nfs/dbraw/zinc/41/38/07/885413807.db2.gz YKLSUEORJUBXJG-NSHDSACASA-N 0 3 296.327 -1.912 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001332487114 885414036 /nfs/dbraw/zinc/41/40/36/885414036.db2.gz AHXIQFRAQPTDEZ-SECBINFHSA-N 0 3 269.305 -1.822 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cocn1 ZINC001332490581 885416030 /nfs/dbraw/zinc/41/60/30/885416030.db2.gz MZMGRJZYJKOIGL-ZETCQYMHSA-N 0 3 256.262 -1.818 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C(=O)NCC(F)F ZINC001332529916 885418137 /nfs/dbraw/zinc/41/81/37/885418137.db2.gz RDVXBJATYCVAAE-LURJTMIESA-N 0 3 296.274 -2.738 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C(=O)NCC(F)F ZINC001332529917 885418402 /nfs/dbraw/zinc/41/84/02/885418402.db2.gz RDVXBJATYCVAAE-ZCFIWIBFSA-N 0 3 296.274 -2.738 20 0 CAADHN COCC[NH2+]C[C@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001332536835 885419123 /nfs/dbraw/zinc/41/91/23/885419123.db2.gz NCWXSTQTWLXKFV-QMMMGPOBSA-N 0 3 257.294 -1.526 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCCC1)C(=O)C(N)=O ZINC001332563543 885420978 /nfs/dbraw/zinc/42/09/78/885420978.db2.gz ZSEKLGBQGAMFLV-VIFPVBQESA-N 0 3 286.332 -2.497 20 0 CAADHN CN(C[C@H](O)CNCc1cncn1C)C(=O)C(N)=O ZINC001332560026 885421650 /nfs/dbraw/zinc/42/16/50/885421650.db2.gz HAPGKBKYXDJMFZ-SECBINFHSA-N 0 3 269.305 -2.186 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)Cn1cncn1 ZINC001332602547 885427454 /nfs/dbraw/zinc/42/74/54/885427454.db2.gz PXDHMCHNMMLCOE-VIFPVBQESA-N 0 3 259.285 -1.344 20 0 CAADHN CN(CCOCC(F)F)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332664523 885429086 /nfs/dbraw/zinc/42/90/86/885429086.db2.gz UWKQURUQDSLRRE-MRVPVSSYSA-N 0 3 297.302 -1.496 20 0 CAADHN Cn1cc(CNC(=O)C(=O)N2CCCNCC2)nn1 ZINC001332691277 885432610 /nfs/dbraw/zinc/43/26/10/885432610.db2.gz SLHKQNPDZNDQSB-UHFFFAOYSA-N 0 3 266.305 -1.747 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H](N2CCC2)C1 ZINC001332694444 885433362 /nfs/dbraw/zinc/43/33/62/885433362.db2.gz KFRUZGUEEHFFHJ-IUCAKERBSA-N 0 3 266.301 -1.109 20 0 CAADHN C[C@@H](NC(=O)CN1CCN(C)CC1)[C@@H]1CN(C)CCN1C ZINC001332753993 885437394 /nfs/dbraw/zinc/43/73/94/885437394.db2.gz AMKIKFNXTSPTQP-KGLIPLIRSA-N 0 3 297.447 -1.016 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CCN2CCNC2=O)C1=O ZINC001332844798 885442591 /nfs/dbraw/zinc/44/25/91/885442591.db2.gz QBFNCQGBDDFFOD-QMMMGPOBSA-N 0 3 269.305 -1.506 20 0 CAADHN CC1(C)NC(=O)N(CCCN[C@]2(C(N)=O)CCOC2)C1=O ZINC001332869386 885443662 /nfs/dbraw/zinc/44/36/62/885443662.db2.gz NGOPPUGQIOGSSG-CYBMUJFWSA-N 0 3 298.343 -1.059 20 0 CAADHN CC1(C)NC(=O)N(CCCN[C@@]2(C(N)=O)CCOC2)C1=O ZINC001332869396 885444001 /nfs/dbraw/zinc/44/40/01/885444001.db2.gz NGOPPUGQIOGSSG-ZDUSSCGKSA-N 0 3 298.343 -1.059 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CC[C@@H]2CNC(=O)C2)C1=O ZINC001332845051 885444063 /nfs/dbraw/zinc/44/40/63/885444063.db2.gz TWVOQVMBWLEUFK-IUCAKERBSA-N 0 3 268.317 -1.005 20 0 CAADHN CN1CC[C@H](NC[C@H](NC(=O)C(N)=O)C(C)(C)C)C1=O ZINC001332858249 885444242 /nfs/dbraw/zinc/44/42/42/885444242.db2.gz QDNZQCXXXINAOA-IUCAKERBSA-N 0 3 284.360 -1.177 20 0 CAADHN CC1(C)CNC(=O)[C@@H]1NC[C@H](O)Cn1ccnn1 ZINC001332899620 885447409 /nfs/dbraw/zinc/44/74/09/885447409.db2.gz UPJWSMBYKAHYNG-IUCAKERBSA-N 0 3 253.306 -1.247 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCCCO1 ZINC001332881377 885447811 /nfs/dbraw/zinc/44/78/11/885447811.db2.gz OEIPYWLNPZYXGJ-UHFFFAOYSA-N 0 3 270.333 -1.438 20 0 CAADHN CNC(=O)C1(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC001332924161 885449767 /nfs/dbraw/zinc/44/97/67/885449767.db2.gz OOUMZPUGAJBGRV-VHSXEESVSA-N 0 3 267.329 -1.210 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)C(=O)N(C)CCN(C)C ZINC001333059540 885454235 /nfs/dbraw/zinc/45/42/35/885454235.db2.gz BPZVCWKAHVXZLZ-NXEZZACHSA-N 0 3 285.344 -1.068 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001333086928 885457277 /nfs/dbraw/zinc/45/72/77/885457277.db2.gz NQXXZNATBWMSMU-GARJFASQSA-N 0 3 267.329 -1.210 20 0 CAADHN CN(CCOCC[NH2+]CC(N)=O)C(=O)c1cnc[n-]c1=O ZINC001333230760 885463022 /nfs/dbraw/zinc/46/30/22/885463022.db2.gz CWYWMDFTPSNRFP-UHFFFAOYSA-N 0 3 297.315 -1.654 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)c1ncn(C)n1 ZINC001333219497 885463974 /nfs/dbraw/zinc/46/39/74/885463974.db2.gz WPTVYIRLEHDKEC-UHFFFAOYSA-N 0 3 298.347 -1.761 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)[C@]1(F)CCOC1 ZINC001333245365 885466911 /nfs/dbraw/zinc/46/69/11/885466911.db2.gz MIJLHPZYXCFKNI-LBPRGKRZSA-N 0 3 291.323 -1.335 20 0 CAADHN C[C@@H]1OCC[C@@H]1C(=O)N(C)CCOCCNCC(N)=O ZINC001333259397 885466936 /nfs/dbraw/zinc/46/69/36/885466936.db2.gz NQAYZYKEFIVGIH-QWRGUYRKSA-N 0 3 287.360 -1.039 20 0 CAADHN Cc1ncc(C(=O)N(C)CCOCCNCC(N)=O)n1C ZINC001333247580 885467916 /nfs/dbraw/zinc/46/79/16/885467916.db2.gz WCTICFONGNPPDY-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN C[C@H]1OCC[C@H]1C(=O)N(C)CCOCCNCC(N)=O ZINC001333259382 885468557 /nfs/dbraw/zinc/46/85/57/885468557.db2.gz NQAYZYKEFIVGIH-GHMZBOCLSA-N 0 3 287.360 -1.039 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)[C@H]1CNC(=O)N1 ZINC001333248561 885468699 /nfs/dbraw/zinc/46/86/99/885468699.db2.gz ZRGQJIKJHMFMEJ-MRVPVSSYSA-N 0 3 287.320 -2.782 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001333482737 885483733 /nfs/dbraw/zinc/48/37/33/885483733.db2.gz JGXJMZOGRPSWBD-LPEHRKFASA-N 0 3 281.312 -1.683 20 0 CAADHN CN1CCC(N(CCO)C(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001333481604 885483960 /nfs/dbraw/zinc/48/39/60/885483960.db2.gz CRQJWBYAGGSJJD-SNVBAGLBSA-N 0 3 297.355 -1.046 20 0 CAADHN CN(CCNC(=O)[C@H]1CCC(=O)O1)CCOCCO ZINC001333505239 885484178 /nfs/dbraw/zinc/48/41/78/885484178.db2.gz QWIRMKVSOZOQEY-SNVBAGLBSA-N 0 3 274.317 -1.251 20 0 CAADHN CN1CCC(N(CCO)C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001333481603 885484422 /nfs/dbraw/zinc/48/44/22/885484422.db2.gz CRQJWBYAGGSJJD-JTQLQIEISA-N 0 3 297.355 -1.046 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NCCN1CC[C@@H](O)C1 ZINC001333525863 885486400 /nfs/dbraw/zinc/48/64/00/885486400.db2.gz NERHSHUEXVCGKQ-RKDXNWHRSA-N 0 3 269.301 -1.778 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NCCN1CC[C@@H](O)C1 ZINC001333525862 885486898 /nfs/dbraw/zinc/48/68/98/885486898.db2.gz NERHSHUEXVCGKQ-DTWKUNHWSA-N 0 3 269.301 -1.778 20 0 CAADHN O=C(NC[C@H]1CNCCO1)c1nc2ncccn2n1 ZINC001333525232 885487098 /nfs/dbraw/zinc/48/70/98/885487098.db2.gz WTKJQZAXQKDKAX-MRVPVSSYSA-N 0 3 262.273 -1.158 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H](O)[C@H](CO)C1 ZINC001333561676 885489760 /nfs/dbraw/zinc/48/97/60/885489760.db2.gz ASZZQGSQLZZTKL-HOSYDEDBSA-N 0 3 261.318 -1.024 20 0 CAADHN CC(=O)NCCCN1C(=O)N[C@H](CN(C)C)C1=O ZINC001333560427 885490327 /nfs/dbraw/zinc/49/03/27/885490327.db2.gz UTBPRARDCZFMIF-SECBINFHSA-N 0 3 256.306 -1.005 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CC[C@H](O)[C@H](CO)C1 ZINC001333561677 885490996 /nfs/dbraw/zinc/49/09/96/885490996.db2.gz ASZZQGSQLZZTKL-JBLDHEPKSA-N 0 3 261.318 -1.024 20 0 CAADHN CCS(=O)(=O)C1(CNC(=O)C(=O)NCCN)CC1 ZINC001333544682 885491129 /nfs/dbraw/zinc/49/11/29/885491129.db2.gz XGDIRNFJZXCHMW-UHFFFAOYSA-N 0 3 277.346 -1.855 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001333595478 885492415 /nfs/dbraw/zinc/49/24/15/885492415.db2.gz GXFZAFIKYOEJEF-NSHDSACASA-N 0 3 268.361 -1.124 20 0 CAADHN C[C@@H]1[C@@H](C)N(C[C@@H](O)CO)CCN1C[C@@H](O)CO ZINC001334360229 885539699 /nfs/dbraw/zinc/53/96/99/885539699.db2.gz GCWWZKPUSSJERO-DDHJBXDOSA-N 0 3 262.350 -1.913 20 0 CAADHN Cn1nnc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)n1 ZINC001334234789 885531644 /nfs/dbraw/zinc/53/16/44/885531644.db2.gz MVZREDHXZQRXTF-QMMMGPOBSA-N 0 3 268.321 -1.215 20 0 CAADHN O=C(CCn1cnnn1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001334229988 885532873 /nfs/dbraw/zinc/53/28/73/885532873.db2.gz LRZOZAFBBIRVBH-VHSXEESVSA-N 0 3 266.305 -1.659 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCC(=O)N1)CCOCCO ZINC001334319617 885536675 /nfs/dbraw/zinc/53/66/75/885536675.db2.gz JEZPQBGHTAGJAV-JTQLQIEISA-N 0 3 273.333 -1.678 20 0 CAADHN C[C@H]1[C@H](C)N(C[C@@H](O)CO)CCN1C[C@@H](O)CO ZINC001334360230 885539509 /nfs/dbraw/zinc/53/95/09/885539509.db2.gz GCWWZKPUSSJERO-NNYUYHANSA-N 0 3 262.350 -1.913 20 0 CAADHN Cc1cnn(C)c1NC(=O)C(=O)N1CCNCCNCC1 ZINC001334421335 885541884 /nfs/dbraw/zinc/54/18/84/885541884.db2.gz BNDJTZIGVUNLPL-UHFFFAOYSA-N 0 3 294.359 -1.312 20 0 CAADHN CN1CCN(CCCC(=O)NC(N)=O)C[C@H]1CO ZINC001334414663 885542586 /nfs/dbraw/zinc/54/25/86/885542586.db2.gz LDUFUJAFIYPCQV-VIFPVBQESA-N 0 3 258.322 -1.430 20 0 CAADHN Cn1nccc1NC(=O)C(=O)N1CCNCCNCC1 ZINC001334424094 885544179 /nfs/dbraw/zinc/54/41/79/885544179.db2.gz OYESSCCYBOYMHE-UHFFFAOYSA-N 0 3 280.332 -1.620 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)N(C)C(=O)CN1CCCC1 ZINC001334500113 885550575 /nfs/dbraw/zinc/55/05/75/885550575.db2.gz IIYLBEBKMUDANJ-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN C[C@@H]1CCOCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC001334687118 885556348 /nfs/dbraw/zinc/55/63/48/885556348.db2.gz VBZKJLLKCSOUHP-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CC(C)(CO)N1CCN(CCN2C(=O)CNC2=O)CC1 ZINC001335061707 885578822 /nfs/dbraw/zinc/57/88/22/885578822.db2.gz QQPMIMKUVPRJJV-UHFFFAOYSA-N 0 3 284.360 -1.073 20 0 CAADHN CN(CCO)CCN(C)c1nccn2nnnc12 ZINC001335073545 885579322 /nfs/dbraw/zinc/57/93/22/885579322.db2.gz VTYTZCGOOFOHPE-UHFFFAOYSA-N 0 3 251.294 -1.120 20 0 CAADHN CCN(CC)CC(=O)N1CC([C@@H](C)NC(=O)C(N)=O)C1 ZINC001335119442 885583574 /nfs/dbraw/zinc/58/35/74/885583574.db2.gz XLGLSRXWGZUFHW-SECBINFHSA-N 0 3 284.360 -1.223 20 0 CAADHN O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCNCCNCC1 ZINC001335148068 885585508 /nfs/dbraw/zinc/58/55/08/885585508.db2.gz GGAYSOSFCSZBNT-SNVBAGLBSA-N 0 3 290.389 -1.622 20 0 CAADHN CN(CCNC(=O)C1(O)CCOCC1)CCOCCO ZINC001335149863 885587111 /nfs/dbraw/zinc/58/71/11/885587111.db2.gz IDZOBVIQUYSXQM-UHFFFAOYSA-N 0 3 290.360 -1.415 20 0 CAADHN O=C(N[C@H]1CCS(=O)(=O)C1)N1CCNCCNCC1 ZINC001335148064 885587304 /nfs/dbraw/zinc/58/73/04/885587304.db2.gz GGAYSOSFCSZBNT-JTQLQIEISA-N 0 3 290.389 -1.622 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(Cc2nnn(C)n2)C1=O ZINC001335213202 885593933 /nfs/dbraw/zinc/59/39/33/885593933.db2.gz UPTDOPZCOKZFKE-LURJTMIESA-N 0 3 253.266 -1.808 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001335215232 885594054 /nfs/dbraw/zinc/59/40/54/885594054.db2.gz BQAXVSIEPIFEFU-VHSXEESVSA-N 0 3 296.327 -1.794 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N([C@@H]2CC(=O)N(C)C2)C1=O ZINC001335207263 885594220 /nfs/dbraw/zinc/59/42/20/885594220.db2.gz PJIAZMYGUWITAK-SFYZADRCSA-N 0 3 254.290 -1.301 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC001335230228 885596134 /nfs/dbraw/zinc/59/61/34/885596134.db2.gz MEVKOJUVPYLOKQ-QMMMGPOBSA-N 0 3 279.362 -1.657 20 0 CAADHN COCCN1CC[C@H](N2C(=O)N[C@H](CO)C2=O)C1 ZINC001335228367 885596834 /nfs/dbraw/zinc/59/68/34/885596834.db2.gz MAJGDJMUJLBRRD-DTWKUNHWSA-N 0 3 257.290 -1.380 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC001335277777 885602837 /nfs/dbraw/zinc/60/28/37/885602837.db2.gz MLSKUPGBCQSRTR-DJLDLDEBSA-N 0 3 291.373 -1.516 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCCNCC2)[C@H](C)O1 ZINC001335255430 885603452 /nfs/dbraw/zinc/60/34/52/885603452.db2.gz LVLLSPRERDKVOC-WOPDTQHZSA-N 0 3 298.387 -1.310 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNCCNCC2)[C@@H](C)O1 ZINC001335255427 885604241 /nfs/dbraw/zinc/60/42/41/885604241.db2.gz LVLLSPRERDKVOC-IJLUTSLNSA-N 0 3 298.387 -1.310 20 0 CAADHN CN1C(=O)CC[C@@H](NC[C@@H](O)C2(O)CCOCC2)C1=O ZINC001335303984 885608934 /nfs/dbraw/zinc/60/89/34/885608934.db2.gz MHCHXNJZSYBNEA-NXEZZACHSA-N 0 3 286.328 -1.374 20 0 CAADHN Cn1cnnc1S(=O)(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC001335528465 885620053 /nfs/dbraw/zinc/62/00/53/885620053.db2.gz HGSWGXODFNJYPH-RNFRBKRXSA-N 0 3 263.298 -1.125 20 0 CAADHN CCN(OC)C(=O)CNC[C@@H](O)C[C@@]1(O)CCOC1 ZINC001335467666 885620994 /nfs/dbraw/zinc/62/09/94/885620994.db2.gz AHLWQJXIAHOVBE-JQWIXIFHSA-N 0 3 276.333 -1.112 20 0 CAADHN CN1C(=O)NC2(CCN(C[C@H](O)CO)CC2)C1=O ZINC001335594683 885625378 /nfs/dbraw/zinc/62/53/78/885625378.db2.gz XJHFPKZEBBMICF-QMMMGPOBSA-N 0 3 257.290 -1.644 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001335591115 885625575 /nfs/dbraw/zinc/62/55/75/885625575.db2.gz NOEXOHNBSNDIDV-QMMMGPOBSA-N 0 3 277.346 -1.903 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CC=C[C@@H]1CO ZINC001335672657 885628005 /nfs/dbraw/zinc/62/80/05/885628005.db2.gz ZUUSXTWEGKISQR-SNVBAGLBSA-N 0 3 255.318 -1.234 20 0 CAADHN CCS(=O)(=O)CCNCCN1CCS(=O)(=O)CC1 ZINC001335943778 885643274 /nfs/dbraw/zinc/64/32/74/885643274.db2.gz YORICGOBXMBBHQ-UHFFFAOYSA-N 0 3 298.430 -1.259 20 0 CAADHN COCCO[C@H]1C[C@H](CO)CN(C[C@@H](O)CO)C1 ZINC001335957687 885643312 /nfs/dbraw/zinc/64/33/12/885643312.db2.gz FVHPJBVIPWYCNI-TUAOUCFPSA-N 0 3 263.334 -1.315 20 0 CAADHN Cn1cnn(CC(=O)N[C@H]2CN3CCC2CC3)c1=O ZINC001336080718 885646764 /nfs/dbraw/zinc/64/67/64/885646764.db2.gz LJXGXRHVWLWGTK-JTQLQIEISA-N 0 3 265.317 -1.208 20 0 CAADHN CC(=O)NCCN(C)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001336072203 885646843 /nfs/dbraw/zinc/64/68/43/885646843.db2.gz YXQNQFKYQNNFJY-RYUDHWBXSA-N 0 3 260.334 -1.043 20 0 CAADHN CC(=O)NCCN(C)C[C@@H](O)C[C@]1(O)CCOC1 ZINC001336072202 885646880 /nfs/dbraw/zinc/64/68/80/885646880.db2.gz YXQNQFKYQNNFJY-NWDGAFQWSA-N 0 3 260.334 -1.043 20 0 CAADHN CN1C(=O)CC[C@H](NC[C@H](O)C[C@]2(O)CCOC2)C1=O ZINC001336302572 885655996 /nfs/dbraw/zinc/65/59/96/885655996.db2.gz CJNJKIGHMPDNQU-GBIKHYSHSA-N 0 3 286.328 -1.374 20 0 CAADHN CC(C)OC[C@H](O)CNC[C@@H](O)CS(C)(=O)=O ZINC001336310401 885656256 /nfs/dbraw/zinc/65/62/56/885656256.db2.gz WPEQLAMPHJHCIE-NXEZZACHSA-N 0 3 269.363 -1.233 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@H](O)C1(O)CCOCC1 ZINC001336304376 885656865 /nfs/dbraw/zinc/65/68/65/885656865.db2.gz WIIPGXLIVPSAAH-JTQLQIEISA-N 0 3 296.389 -1.630 20 0 CAADHN CN(C)C(=O)CCNC(=O)C(=O)N1CCNCCNCC1 ZINC001336573920 885665201 /nfs/dbraw/zinc/66/52/01/885665201.db2.gz TWYNEWSPEBDFSW-UHFFFAOYSA-N 0 3 299.375 -2.398 20 0 CAADHN O=C(N[C@@H]1C=CCC1)C(=O)N1CCNCCNCC1 ZINC001336600057 885669866 /nfs/dbraw/zinc/66/98/66/885669866.db2.gz LLMCKIWAMBLQDP-LLVKDONJSA-N 0 3 266.345 -1.157 20 0 CAADHN O=C(N[C@H]1[C@@H]2COC[C@@H]21)C(=O)N1CCNCCNCC1 ZINC001336574969 885669877 /nfs/dbraw/zinc/66/98/77/885669877.db2.gz YTUBQGNRSJHZRD-URLYPYJESA-N 0 3 282.344 -2.231 20 0 CAADHN C[C@H](NC(=O)C(=O)N1CCNCCNCC1)C(=O)N(C)C ZINC001336647310 885676165 /nfs/dbraw/zinc/67/61/65/885676165.db2.gz UCJUKGVEXYPAQO-JTQLQIEISA-N 0 3 299.375 -2.399 20 0 CAADHN O=C(CNC[C@H](O)C1(O)CCOCC1)NC1CC1 ZINC001336725685 885681215 /nfs/dbraw/zinc/68/12/15/885681215.db2.gz ATYNARWAFMNASF-JTQLQIEISA-N 0 3 258.318 -1.243 20 0 CAADHN COC(=O)CNC(=O)CN[C@H](C)Cn1cncn1 ZINC001336757149 885681423 /nfs/dbraw/zinc/68/14/23/885681423.db2.gz CCJMIVUJGLWLCM-MRVPVSSYSA-N 0 3 255.278 -1.455 20 0 CAADHN C[C@@H](CS(C)(=O)=O)NC(=O)N1CCNCCNCC1 ZINC001336812697 885685039 /nfs/dbraw/zinc/68/50/39/885685039.db2.gz FVCIJUXANOVDAQ-JTQLQIEISA-N 0 3 292.405 -1.376 20 0 CAADHN CN(CCCF)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC001337485091 885701184 /nfs/dbraw/zinc/70/11/84/885701184.db2.gz HRRIERWNNPZNNG-SECBINFHSA-N 0 3 261.297 -1.091 20 0 CAADHN OCCOCCN1CCC(O)(COCCO)CC1 ZINC001337586377 885711639 /nfs/dbraw/zinc/71/16/39/885711639.db2.gz ROKNCJIBQXPGKN-UHFFFAOYSA-N 0 3 263.334 -1.169 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)CC(N)=O)N(C)C ZINC001337609467 885713298 /nfs/dbraw/zinc/71/32/98/885713298.db2.gz UPAGXLWPEJQBLJ-BDAKNGLRSA-N 0 3 288.348 -2.205 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NC(=O)CC(N)=O)N(C)C ZINC001337750350 885717023 /nfs/dbraw/zinc/71/70/23/885717023.db2.gz ILIZSCMEVBTHGL-DTWKUNHWSA-N 0 3 288.348 -2.205 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)CC(N)=O)N(C)C ZINC001337750749 885717598 /nfs/dbraw/zinc/71/75/98/885717598.db2.gz ILIZSCMEVBTHGL-IUCAKERBSA-N 0 3 288.348 -2.205 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NC(=O)CC(N)=O)N(C)C ZINC001337750348 885717942 /nfs/dbraw/zinc/71/79/42/885717942.db2.gz ILIZSCMEVBTHGL-BDAKNGLRSA-N 0 3 288.348 -2.205 20 0 CAADHN CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)N1CCNCCNCC1 ZINC001337850354 885724938 /nfs/dbraw/zinc/72/49/38/885724938.db2.gz OOHHSDRSSIBFTC-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H](NC[C@H](O)C[C@@]1(O)CCOC1)C(=O)N(C)C ZINC001337854923 885726123 /nfs/dbraw/zinc/72/61/23/885726123.db2.gz OFIDTSSJOBRVAO-FOGDFJRCSA-N 0 3 260.334 -1.045 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001338147630 885731947 /nfs/dbraw/zinc/73/19/47/885731947.db2.gz QPZJQDRWJZBTAG-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CC[C@H](O)[C@H](F)C1 ZINC001338006208 885733073 /nfs/dbraw/zinc/73/30/73/885733073.db2.gz PSJXMSIYRSUHME-ZJUUUORDSA-N 0 3 275.324 -1.062 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC001338147628 885733721 /nfs/dbraw/zinc/73/37/21/885733721.db2.gz QPZJQDRWJZBTAG-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CN1C[C@H](NC(=O)C(=O)N2CCNCCNCC2)CC1=O ZINC001338262633 885735512 /nfs/dbraw/zinc/73/55/12/885735512.db2.gz LEGNTDDFSRPJRO-SNVBAGLBSA-N 0 3 297.359 -2.645 20 0 CAADHN CO[C@H]1CC[C@@H](NC(=O)C(=O)N2CCNCCNCC2)C1 ZINC001338279377 885737147 /nfs/dbraw/zinc/73/71/47/885737147.db2.gz ISAVGFLHFWALID-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001338307748 885738318 /nfs/dbraw/zinc/73/83/18/885738318.db2.gz JOYNYDWYWALXNN-HBNTYKKESA-N 0 3 285.344 -1.273 20 0 CAADHN O=C(N[C@@H]1CCCOCC1)C(=O)N1CCNCCNCC1 ZINC001338293007 885738591 /nfs/dbraw/zinc/73/85/91/885738591.db2.gz FBLAWLMWIMFLDA-GFCCVEGCSA-N 0 3 298.387 -1.307 20 0 CAADHN CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC001338307746 885739614 /nfs/dbraw/zinc/73/96/14/885739614.db2.gz JOYNYDWYWALXNN-GMTAPVOTSA-N 0 3 285.344 -1.273 20 0 CAADHN CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC001338307749 885739860 /nfs/dbraw/zinc/73/98/60/885739860.db2.gz JOYNYDWYWALXNN-OUAUKWLOSA-N 0 3 285.344 -1.273 20 0 CAADHN CO[C@@H]1CC[C@@H]1N(C)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001338307744 885739948 /nfs/dbraw/zinc/73/99/48/885739948.db2.gz JOYNYDWYWALXNN-GARJFASQSA-N 0 3 285.344 -1.273 20 0 CAADHN CCN1CCC[C@@H](NC(=O)C(=O)N2CCCNCC2)C1=O ZINC001338330867 885740740 /nfs/dbraw/zinc/74/07/40/885740740.db2.gz WEABRLDUAZKDTR-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN O=C(NC/C=C/Cl)C(=O)N1CCNCCNCC1 ZINC001338369376 885743337 /nfs/dbraw/zinc/74/33/37/885743337.db2.gz PXJYEPHJKGYELG-OWOJBTEDSA-N 0 3 274.752 -1.124 20 0 CAADHN CC[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O)N(C)C ZINC001338551652 885749128 /nfs/dbraw/zinc/74/91/28/885749128.db2.gz UMBFGGJETNBVRZ-DTWKUNHWSA-N 0 3 288.348 -2.253 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)C(N)=O)N(C)C ZINC001338594557 885750660 /nfs/dbraw/zinc/75/06/60/885750660.db2.gz HRZFERXSSZEFKG-BDAKNGLRSA-N 0 3 288.348 -2.253 20 0 CAADHN CN(C(=O)Cn1nnc(N)n1)[C@H]1CN2CCC1CC2 ZINC001338846604 885760246 /nfs/dbraw/zinc/76/02/46/885760246.db2.gz IWNNOYVNCUIOOZ-VIFPVBQESA-N 0 3 265.321 -1.192 20 0 CAADHN CN1C[C@H](O)C[C@@]1(C)C(=O)NCCc1nnc[nH]1 ZINC001339085422 885762368 /nfs/dbraw/zinc/76/23/68/885762368.db2.gz CYQBRKYBYQWCBW-KCJUWKMLSA-N 0 3 253.306 -1.082 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@@H]1CNCCN1C)C1CC1 ZINC001339968476 885783555 /nfs/dbraw/zinc/78/35/55/885783555.db2.gz HTBGCWYYWDHLNS-UWVGGRQHSA-N 0 3 255.318 -1.042 20 0 CAADHN CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CNCCN1C ZINC001339921611 885784235 /nfs/dbraw/zinc/78/42/35/885784235.db2.gz YFZRSMXTZMKPEJ-WDEREUQCSA-N 0 3 268.361 -1.127 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(C[C@H]2CCCNC2=O)C1=O ZINC001339981099 885785433 /nfs/dbraw/zinc/78/54/33/885785433.db2.gz PDUDNUAYLWXLAG-RKDXNWHRSA-N 0 3 268.317 -1.005 20 0 CAADHN CN(CCO)CCNC(=O)CC1(O)CCOCC1 ZINC001339981667 885787000 /nfs/dbraw/zinc/78/70/00/885787000.db2.gz RIPPTPJLDHKVNI-UHFFFAOYSA-N 0 3 260.334 -1.042 20 0 CAADHN O=C(NCCCn1ccnc1)C1CNCCS1(=O)=O ZINC001340013925 885788368 /nfs/dbraw/zinc/78/83/68/885788368.db2.gz YUBVMYLFQQKJSL-SNVBAGLBSA-N 0 3 286.357 -1.224 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H](C)CN1 ZINC001340129364 885790723 /nfs/dbraw/zinc/79/07/23/885790723.db2.gz UVRRXAFZAMMAGK-PRJMDXOYSA-N 0 3 254.290 -1.207 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N[C@H](C(N)=O)C(C)(C)C ZINC001340107586 885790710 /nfs/dbraw/zinc/79/07/10/885790710.db2.gz OTHGTIIBJFSPCM-RKDXNWHRSA-N 0 3 256.350 -1.094 20 0 CAADHN Cc1c(NC(=O)C(=O)N2CCNCCNCC2)cnn1C ZINC001340162079 885794454 /nfs/dbraw/zinc/79/44/54/885794454.db2.gz IBYYXXFIXZLPRU-UHFFFAOYSA-N 0 3 294.359 -1.312 20 0 CAADHN OCCN(CCO)C[C@@H](O)COC1CCOCC1 ZINC001340222781 885797187 /nfs/dbraw/zinc/79/71/87/885797187.db2.gz XZJBTUDVNPQIOK-LLVKDONJSA-N 0 3 263.334 -1.171 20 0 CAADHN C[C@H]1NCCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H]1C ZINC001340280292 885797777 /nfs/dbraw/zinc/79/77/77/885797777.db2.gz BRSYMAISELOAPM-PRJMDXOYSA-N 0 3 254.290 -1.207 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H]1COC2(CNC2)C1 ZINC001340615473 885806712 /nfs/dbraw/zinc/80/67/12/885806712.db2.gz OJBUFNBAHLHOOO-QMMMGPOBSA-N 0 3 262.331 -1.332 20 0 CAADHN Cc1nc2n(n1)CCN(C(=O)[C@@H]1CNCCN1C)C2 ZINC001340221374 885799485 /nfs/dbraw/zinc/79/94/85/885799485.db2.gz CKPPXXCEURUNIK-JTQLQIEISA-N 0 3 264.333 -1.168 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@H]2CNCCO2)NCC1=O ZINC001340471144 885801490 /nfs/dbraw/zinc/80/14/90/885801490.db2.gz HOYCBIMGQJWGDZ-BDAKNGLRSA-N 0 3 256.306 -2.479 20 0 CAADHN CS(=O)(=O)C1(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC001340474110 885802890 /nfs/dbraw/zinc/80/28/90/885802890.db2.gz ZXYLUGMCTOLKTR-QMMMGPOBSA-N 0 3 262.331 -1.332 20 0 CAADHN O=C(CCn1cncn1)N[C@@H]1COC2(CNC2)C1 ZINC001340616522 885805438 /nfs/dbraw/zinc/80/54/38/885805438.db2.gz UBKPWFJBYZDPJX-VIFPVBQESA-N 0 3 251.290 -1.085 20 0 CAADHN C[C@H](Cn1cncn1)NC(=O)[C@H]1CNCCN1C ZINC001340605948 885805529 /nfs/dbraw/zinc/80/55/29/885805529.db2.gz PZQJWZAPNMWADB-NXEZZACHSA-N 0 3 252.322 -1.314 20 0 CAADHN O=C1CCN(C[C@@H](O)C[C@]2(O)CCOC2)CCN1 ZINC001340551335 885806195 /nfs/dbraw/zinc/80/61/95/885806195.db2.gz QWNMGOOTIGTRFO-CMPLNLGQSA-N 0 3 258.318 -1.289 20 0 CAADHN COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1COCCO1 ZINC001340605316 885806496 /nfs/dbraw/zinc/80/64/96/885806496.db2.gz WUYPRUWVIWXFFX-RKDXNWHRSA-N 0 3 260.290 -1.202 20 0 CAADHN C[C@H](Cn1cncn1)NC(=O)[C@@H]1CNCCN1C ZINC001340605963 885807186 /nfs/dbraw/zinc/80/71/86/885807186.db2.gz PZQJWZAPNMWADB-ZJUUUORDSA-N 0 3 252.322 -1.314 20 0 CAADHN CC1(C)CN(C[C@@H](O)CO)CCN1C[C@@H](O)CO ZINC001340664005 885809158 /nfs/dbraw/zinc/80/91/58/885809158.db2.gz UADJWEQTQIOPSN-GHMZBOCLSA-N 0 3 262.350 -1.911 20 0 CAADHN O=C(CN1CCCCC(=O)C1=O)N[C@@H]1COC2(CNC2)C1 ZINC001340738537 885812454 /nfs/dbraw/zinc/81/24/54/885812454.db2.gz KZFHBOVSDFWGTN-JTQLQIEISA-N 0 3 295.339 -1.185 20 0 CAADHN CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2CNCCN2C)C1=O ZINC001340767169 885813187 /nfs/dbraw/zinc/81/31/87/885813187.db2.gz LOULPMIEGKPFJP-ZJUUUORDSA-N 0 3 282.344 -1.458 20 0 CAADHN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CNCCN2C)C1=O ZINC001340767167 885813689 /nfs/dbraw/zinc/81/36/89/885813689.db2.gz LOULPMIEGKPFJP-UWVGGRQHSA-N 0 3 282.344 -1.458 20 0 CAADHN CN(C)CCOCCNC(=O)C1CNCCS1(=O)=O ZINC001340998336 885822876 /nfs/dbraw/zinc/82/28/76/885822876.db2.gz BSXNXRNIFLBDNM-JTQLQIEISA-N 0 3 293.389 -1.933 20 0 CAADHN CS(=O)(=O)C1(C(=O)N2CCNCCNCC2)CC1 ZINC001341225159 885830140 /nfs/dbraw/zinc/83/01/40/885830140.db2.gz ZOORZLQOIIBQPT-UHFFFAOYSA-N 0 3 275.374 -1.415 20 0 CAADHN O=C(CCCN1C(=O)CNC1=O)N[C@H]1COC2(CNC2)C1 ZINC001341369260 885835034 /nfs/dbraw/zinc/83/50/34/885835034.db2.gz RSINYCNMRXVUAZ-SECBINFHSA-N 0 3 296.327 -1.435 20 0 CAADHN CS(=O)(=O)NCC1CCN(C[C@@H](O)CO)CC1 ZINC001341460967 885840900 /nfs/dbraw/zinc/84/09/00/885840900.db2.gz SYIZQXJHFBTKCS-SNVBAGLBSA-N 0 3 266.363 -1.399 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC001341438130 885841793 /nfs/dbraw/zinc/84/17/93/885841793.db2.gz SJFYQOYCYCPDGP-SECBINFHSA-N 0 3 283.332 -2.052 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001341568005 885844975 /nfs/dbraw/zinc/84/49/75/885844975.db2.gz UHMLFEBNALBKTO-GXSJLCMTSA-N 0 3 266.345 -1.231 20 0 CAADHN C[C@H](CNC(=O)C1CNCCS1(=O)=O)N(C)C ZINC001341568947 885846103 /nfs/dbraw/zinc/84/61/03/885846103.db2.gz FPWDQGJWKWTHIB-RKDXNWHRSA-N 0 3 263.363 -1.561 20 0 CAADHN CN1CCN(CCCNC(=O)[C@H]2CN(C)C(=O)CN2)CC1 ZINC001341626940 885850771 /nfs/dbraw/zinc/85/07/71/885850771.db2.gz JIBZMWRYNBFINZ-GFCCVEGCSA-N 0 3 297.403 -1.830 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)[C@H](N)CO)CC1 ZINC001341646656 885851168 /nfs/dbraw/zinc/85/11/68/885851168.db2.gz QINAVSOOJRQNID-SECBINFHSA-N 0 3 258.322 -2.414 20 0 CAADHN CN(C(=O)C1CNCCS1(=O)=O)c1cn[nH]c1 ZINC001341718051 885852747 /nfs/dbraw/zinc/85/27/47/885852747.db2.gz ZEBJWRHFAADFET-QMMMGPOBSA-N 0 3 258.303 -1.241 20 0 CAADHN CN(CCN1CCOCC1)C(=O)[C@@H](N)C(C)(C)O ZINC001341704606 885853190 /nfs/dbraw/zinc/85/31/90/885853190.db2.gz WQHIVSPQGPTHJZ-SNVBAGLBSA-N 0 3 259.350 -1.125 20 0 CAADHN CN1C[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)NCC1=O ZINC001341672998 885853727 /nfs/dbraw/zinc/85/37/27/885853727.db2.gz SIXNIWOLWKAOHK-GXSJLCMTSA-N 0 3 266.345 -1.231 20 0 CAADHN C[C@@H]1[C@@H](C)N(C[C@H](O)CO)CCN1C[C@H](O)CO ZINC001341692056 885855246 /nfs/dbraw/zinc/85/52/46/885855246.db2.gz GCWWZKPUSSJERO-WYUUTHIRSA-N 0 3 262.350 -1.913 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NC(C)(C)CNC(N)=O ZINC001341733821 885855270 /nfs/dbraw/zinc/85/52/70/885855270.db2.gz QJMYTWPUMXDADY-MRVPVSSYSA-N 0 3 257.338 -1.547 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCC[C@@H]1CC(=O)N(C)C1 ZINC001341835366 885858020 /nfs/dbraw/zinc/85/80/20/885858020.db2.gz FVXXAMMPXMTZLA-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN N[C@H](CO)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC001341764454 885857931 /nfs/dbraw/zinc/85/79/31/885857931.db2.gz HIMKKUJAOSYQBU-MNOVXSKESA-N 0 3 250.302 -1.126 20 0 CAADHN COC[C@H](N)C(=O)N[C@@H](C)[C@H]1CN(C)CCN1C ZINC001341940444 885864426 /nfs/dbraw/zinc/86/44/26/885864426.db2.gz IZMYFIINUFWAQU-GARJFASQSA-N 0 3 258.366 -1.289 20 0 CAADHN C[C@H](NC(=O)C1(O)CNC1)[C@@H]1CN(C)CCN1C ZINC001341939978 885865024 /nfs/dbraw/zinc/86/50/24/885865024.db2.gz AMLOMGKEIHEODF-UWVGGRQHSA-N 0 3 256.350 -1.929 20 0 CAADHN C[C@H](NC(=O)C1(O)CNC1)[C@H]1CN(C)CCN1C ZINC001341939979 885865057 /nfs/dbraw/zinc/86/50/57/885865057.db2.gz AMLOMGKEIHEODF-VHSXEESVSA-N 0 3 256.350 -1.929 20 0 CAADHN C[C@@H](NC(=O)C1(O)CNC1)[C@@H]1CN(C)CCN1C ZINC001341939980 885865865 /nfs/dbraw/zinc/86/58/65/885865865.db2.gz AMLOMGKEIHEODF-ZJUUUORDSA-N 0 3 256.350 -1.929 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001342023957 885867904 /nfs/dbraw/zinc/86/79/04/885867904.db2.gz YMCMJBYBWHEXIS-SDDRHHMPSA-N 0 3 299.371 -1.066 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001342023955 885868673 /nfs/dbraw/zinc/86/86/73/885868673.db2.gz YMCMJBYBWHEXIS-IJLUTSLNSA-N 0 3 299.371 -1.066 20 0 CAADHN O=C(CN1CCCC1=O)N[C@H]1COC2(CNC2)C1 ZINC001342125743 885873243 /nfs/dbraw/zinc/87/32/43/885873243.db2.gz MPEKGCWJKIMCPO-SECBINFHSA-N 0 3 253.302 -1.144 20 0 CAADHN C[C@H](NC1CC1)C(=O)NC[C@@H](O)CS(C)(=O)=O ZINC001342611210 885893086 /nfs/dbraw/zinc/89/30/86/885893086.db2.gz KYJUKCJAUQMIQS-IONNQARKSA-N 0 3 264.347 -1.351 20 0 CAADHN O=C(N[C@H]1COC2(CNC2)C1)C1(n2cnnn2)CC1 ZINC001342215318 885875070 /nfs/dbraw/zinc/87/50/70/885875070.db2.gz JRZZBRBVHZECHS-MRVPVSSYSA-N 0 3 264.289 -1.591 20 0 CAADHN O=C(N[C@H]1COC2(CNC2)C1)[C@H]1CCCNC1=O ZINC001342215539 885875592 /nfs/dbraw/zinc/87/55/92/885875592.db2.gz MDBZQCZWQQUIJV-BDAKNGLRSA-N 0 3 253.302 -1.240 20 0 CAADHN COc1nn(C)cc1CNC(=O)[C@@H]1CNCCN1C ZINC001342174478 885875633 /nfs/dbraw/zinc/87/56/33/885875633.db2.gz TXFBXVXEUAIWHK-JTQLQIEISA-N 0 3 267.333 -1.052 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)C1=O ZINC001342167633 885876992 /nfs/dbraw/zinc/87/69/92/885876992.db2.gz ZDOHHRJRYOLWFP-IWSPIJDZSA-N 0 3 259.281 -1.259 20 0 CAADHN COC[C@@H]1CNCCN1C(=O)C[C@@H]1COCCN1 ZINC001342293981 885878994 /nfs/dbraw/zinc/87/89/94/885878994.db2.gz GOMYIBAXDPBYHN-MNOVXSKESA-N 0 3 257.334 -1.188 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2COC3(CNC3)C2)NCC1=O ZINC001342216912 885879713 /nfs/dbraw/zinc/87/97/13/885879713.db2.gz XYTRRBGUBXTFIY-DTWKUNHWSA-N 0 3 268.317 -2.336 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCNC[C@H]1CO ZINC001342357317 885882191 /nfs/dbraw/zinc/88/21/91/885882191.db2.gz LQEKWIBDYNJPLX-WOPDTQHZSA-N 0 3 268.361 -1.833 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCNC[C@H]1CO ZINC001342357269 885883205 /nfs/dbraw/zinc/88/32/05/885883205.db2.gz LQEKWIBDYNJPLX-GRYCIOLGSA-N 0 3 268.361 -1.833 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCNC[C@@H]1CO ZINC001342357270 885883246 /nfs/dbraw/zinc/88/32/46/885883246.db2.gz LQEKWIBDYNJPLX-IJLUTSLNSA-N 0 3 268.361 -1.833 20 0 CAADHN CC[C@H](CO)NCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001342405669 885885971 /nfs/dbraw/zinc/88/59/71/885885971.db2.gz JCCJSMBQVZWFGG-RKDXNWHRSA-N 0 3 264.347 -1.350 20 0 CAADHN COCC[C@@H](N)C(=O)N1CCN2CCOC[C@H]2C1 ZINC001342493101 885888943 /nfs/dbraw/zinc/88/89/43/885888943.db2.gz AFEVXNFBYGHIBS-GHMZBOCLSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@@H](NC(=O)C[C@@H]1CNCCO1)c1nnnn1C ZINC001342464294 885889964 /nfs/dbraw/zinc/88/99/64/885889964.db2.gz SWSGWEFFZUGEFN-HTQZYQBOSA-N 0 3 254.294 -1.234 20 0 CAADHN COCC[C@H](N)C(=O)N1CCN2CCOC[C@H]2C1 ZINC001342493102 885890730 /nfs/dbraw/zinc/89/07/30/885890730.db2.gz AFEVXNFBYGHIBS-MNOVXSKESA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@H](NC(=O)C[C@@H]1CNCCO1)c1nnnn1C ZINC001342464295 885890868 /nfs/dbraw/zinc/89/08/68/885890868.db2.gz SWSGWEFFZUGEFN-JGVFFNPUSA-N 0 3 254.294 -1.234 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC001343022434 885904493 /nfs/dbraw/zinc/90/44/93/885904493.db2.gz QVHNPUKRXWTUKO-QJPTWQEYSA-N 0 3 269.345 -1.094 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCCN1C(=O)CNC1=O ZINC001343261122 885911428 /nfs/dbraw/zinc/91/14/28/885911428.db2.gz OAQVPCQZQWPIOU-MRVPVSSYSA-N 0 3 269.305 -2.442 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCCN1C(=O)CNC1=O ZINC001343261125 885911638 /nfs/dbraw/zinc/91/16/38/885911638.db2.gz OAQVPCQZQWPIOU-QMMMGPOBSA-N 0 3 269.305 -2.442 20 0 CAADHN CCN(CC)CC(=O)N1CCN(C(=O)CON)CC1 ZINC001343420074 885913828 /nfs/dbraw/zinc/91/38/28/885913828.db2.gz GZMDRPVMDCSDIO-UHFFFAOYSA-N 0 3 272.349 -1.111 20 0 CAADHN O=C(N[C@@H]1COC2(CNC2)C1)[C@@H]1CCNC(=O)C1 ZINC001344000001 885929719 /nfs/dbraw/zinc/92/97/19/885929719.db2.gz NFFYTBPGFSVZGQ-BDAKNGLRSA-N 0 3 253.302 -1.240 20 0 CAADHN Cn1nc(C(=O)N[C@H]2COC3(CNC3)C2)ccc1=O ZINC001343999823 885929760 /nfs/dbraw/zinc/92/97/60/885929760.db2.gz LUTWWBWPYYVLFU-MRVPVSSYSA-N 0 3 264.285 -1.359 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001344223857 885938082 /nfs/dbraw/zinc/93/80/82/885938082.db2.gz SWDYTLPEDRCHSG-DTORHVGOSA-N 0 3 293.327 -1.243 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)C(N)=O)C1 ZINC001344231502 885942403 /nfs/dbraw/zinc/94/24/03/885942403.db2.gz ZJGVGWDRYBOWJE-AOOOYVTPSA-N 0 3 284.360 -1.176 20 0 CAADHN CCS(=O)(=O)CCNC[C@@H](O)C[C@]1(O)CCOC1 ZINC001345183426 885957793 /nfs/dbraw/zinc/95/77/93/885957793.db2.gz PHCNEHKZDZCMNH-WDEREUQCSA-N 0 3 281.374 -1.087 20 0 CAADHN CCN(CCO)CCNC(=O)N[C@H]1CCOC1=O ZINC001346112769 885984899 /nfs/dbraw/zinc/98/48/99/885984899.db2.gz BSBXAEUMXNDTAQ-VIFPVBQESA-N 0 3 259.306 -1.085 20 0 CAADHN CC[C@H](N)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC001345392009 885962905 /nfs/dbraw/zinc/96/29/05/885962905.db2.gz NOSKTHTZHIKFNJ-BDAKNGLRSA-N 0 3 264.347 -1.004 20 0 CAADHN CN1C(=O)CC[C@@H](NCCC(=O)NC(N)=O)C1=O ZINC001345616470 885966220 /nfs/dbraw/zinc/96/62/20/885966220.db2.gz CGTCBUWPMLYHOB-ZCFIWIBFSA-N 0 3 256.262 -1.692 20 0 CAADHN O=C(NCC[C@H]1CCOC1)C(=O)N1CCNCCNCC1 ZINC001345946802 885978245 /nfs/dbraw/zinc/97/82/45/885978245.db2.gz VMZZJMLQBMZBCL-LBPRGKRZSA-N 0 3 298.387 -1.449 20 0 CAADHN O=C(NCC[C@@H]1CCOC1)C(=O)N1CCNCCNCC1 ZINC001345946801 885978437 /nfs/dbraw/zinc/97/84/37/885978437.db2.gz VMZZJMLQBMZBCL-GFCCVEGCSA-N 0 3 298.387 -1.449 20 0 CAADHN Cn1cc(CNC(=O)NC[C@]2(O)CCN(C)C2)nn1 ZINC001346155553 885988903 /nfs/dbraw/zinc/98/89/03/885988903.db2.gz FBDXXLRIJMQSJB-LLVKDONJSA-N 0 3 268.321 -1.319 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N1CCC[C@@H](O)C1 ZINC001346281341 885996126 /nfs/dbraw/zinc/99/61/26/885996126.db2.gz IAKUZGPMKZFDPE-NXEZZACHSA-N 0 3 271.317 -1.926 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001346491283 886009566 /nfs/dbraw/zinc/00/95/66/886009566.db2.gz IKAIQXRGDBEVJK-INTQDDNPSA-N 0 3 255.318 -1.212 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001346865889 886018800 /nfs/dbraw/zinc/01/88/00/886018800.db2.gz HNXJRDTZDPVKMA-NXEZZACHSA-N 0 3 266.305 -1.659 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001346865892 886019791 /nfs/dbraw/zinc/01/97/91/886019791.db2.gz HNXJRDTZDPVKMA-ZJUUUORDSA-N 0 3 266.305 -1.659 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCC[C@@H]1N1CCC(O)CC1 ZINC001347177506 886032265 /nfs/dbraw/zinc/03/22/65/886032265.db2.gz FGSZNAIVBVXNJG-ZJUUUORDSA-N 0 3 255.318 -1.034 20 0 CAADHN NC(=O)C1(C(=O)N2CCOC3(CNC3)C2)CCC1 ZINC001347282773 886032675 /nfs/dbraw/zinc/03/26/75/886032675.db2.gz LNKUZIVQXOLMDB-UHFFFAOYSA-N 0 3 253.302 -1.157 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@@H]1CN2CCC1CC2 ZINC001347226363 886032965 /nfs/dbraw/zinc/03/29/65/886032965.db2.gz DALKNXOYXNDFKM-SECBINFHSA-N 0 3 266.301 -1.251 20 0 CAADHN CN1CCN(CCCNC(=O)Cn2ncnn2)CC1 ZINC001347261111 886034297 /nfs/dbraw/zinc/03/42/97/886034297.db2.gz ABOGRUZSWVSMDE-UHFFFAOYSA-N 0 3 267.337 -1.573 20 0 CAADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC001347392984 886036914 /nfs/dbraw/zinc/03/69/14/886036914.db2.gz ZMLGCRSPRGGQGR-MNOVXSKESA-N 0 3 294.355 -1.184 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ncn(C)n2)C1 ZINC001347679010 886048576 /nfs/dbraw/zinc/04/85/76/886048576.db2.gz VGGKGYFCQNETBC-IUCAKERBSA-N 0 3 278.316 -1.084 20 0 CAADHN CN1CCC[C@@H]1CNCc1cn(CC(N)=O)nn1 ZINC001348098742 886061834 /nfs/dbraw/zinc/06/18/34/886061834.db2.gz MMPSHIBPRDBVKF-SNVBAGLBSA-N 0 3 252.322 -1.053 20 0 CAADHN O=C(NCCCn1cncn1)C(=O)NC[C@@H]1CNCCO1 ZINC001348331961 886071203 /nfs/dbraw/zinc/07/12/03/886071203.db2.gz CNEJKEUJDNRDPV-JTQLQIEISA-N 0 3 296.331 -2.111 20 0 CAADHN Cn1cc(CCC(=O)NCCN2CC[C@@H](O)C2)nn1 ZINC001348421078 886081012 /nfs/dbraw/zinc/08/10/12/886081012.db2.gz FCSRBGGZNCUXRT-LLVKDONJSA-N 0 3 267.333 -1.070 20 0 CAADHN O=C(CCn1ccnn1)NCCN1CC[C@@H](O)C1 ZINC001348421093 886081807 /nfs/dbraw/zinc/08/18/07/886081807.db2.gz FMZJPFPYXJLRRC-SNVBAGLBSA-N 0 3 253.306 -1.149 20 0 CAADHN CN1CCN(CCCNC(=O)CN2C(=O)CCC2=O)CC1 ZINC001348591117 886090622 /nfs/dbraw/zinc/09/06/22/886090622.db2.gz LBJJBMTZZRRKFL-UHFFFAOYSA-N 0 3 296.371 -1.111 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)NC[C@H]2CNCCO2)C1=O ZINC001348944579 886109446 /nfs/dbraw/zinc/10/94/46/886109446.db2.gz RSZPXHNGPZNZJU-SSDOTTSWSA-N 0 3 284.272 -2.488 20 0 CAADHN CNS(=O)(=O)CCNC[C@@H](O)Cn1cccn1 ZINC001348973522 886109799 /nfs/dbraw/zinc/10/97/99/886109799.db2.gz UAGDMVOBPXJDJY-SECBINFHSA-N 0 3 262.335 -1.617 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)Cn1ncnn1 ZINC001349065192 886112444 /nfs/dbraw/zinc/11/24/44/886112444.db2.gz OALOIHUPAMXCNT-UHFFFAOYSA-N 0 3 292.303 -1.820 20 0 CAADHN CN(C)C1(C(=O)NCCNC(=O)[C@@H]2CCC(=O)N2)CCC1 ZINC001349183181 886116093 /nfs/dbraw/zinc/11/60/93/886116093.db2.gz CZLXOSNUODSHET-JTQLQIEISA-N 0 3 296.371 -1.018 20 0 CAADHN COC(=O)C1(O)CN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC001349188267 886116270 /nfs/dbraw/zinc/11/62/70/886116270.db2.gz WVZBPAQCBXWXNF-UHFFFAOYSA-N 0 3 299.327 -2.057 20 0 CAADHN CC(C)N(C)CC(=O)NCCNC(=O)c1c[nH]c(=O)cn1 ZINC001349173887 886116437 /nfs/dbraw/zinc/11/64/37/886116437.db2.gz NFAFJQRKZFEWBZ-UHFFFAOYSA-N 0 3 295.343 -1.044 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)CNC(=O)NC)N(C)C ZINC001349172314 886116495 /nfs/dbraw/zinc/11/64/95/886116495.db2.gz MMPCVLCSVRKRJI-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN NS(=O)(=O)CCNC(=O)CNC[C@@H]1CCCO1 ZINC001349131731 886116716 /nfs/dbraw/zinc/11/67/16/886116716.db2.gz NYUSGSLEDJTMQF-QMMMGPOBSA-N 0 3 265.335 -1.840 20 0 CAADHN Cn1cnc(CCCNC(=O)C(=O)N2CCCNCC2)n1 ZINC001349361783 886125724 /nfs/dbraw/zinc/12/57/24/886125724.db2.gz FUBLFIFJCCDNSX-UHFFFAOYSA-N 0 3 294.359 -1.314 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@H]1CCNC1=O ZINC001349432083 886127548 /nfs/dbraw/zinc/12/75/48/886127548.db2.gz QYWQKSJIQQEYHK-VIFPVBQESA-N 0 3 293.327 -1.371 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@@H]1CCNC1=O ZINC001349432082 886129247 /nfs/dbraw/zinc/12/92/47/886129247.db2.gz QYWQKSJIQQEYHK-SECBINFHSA-N 0 3 293.327 -1.371 20 0 CAADHN O=C(CNC[C@H]1CCCO1)N1CC[C@@H](O)[C@@H](O)C1 ZINC001349586368 886139005 /nfs/dbraw/zinc/13/90/05/886139005.db2.gz HKRAVYHVIVXTMV-MXWKQRLJSA-N 0 3 258.318 -1.291 20 0 CAADHN C[C@H]1NC(=O)N(CCN2CCC[C@@H](CO)[C@H]2CO)C1=O ZINC001349676275 886144647 /nfs/dbraw/zinc/14/46/47/886144647.db2.gz KZUGCILGZKFUNA-OUAUKWLOSA-N 0 3 285.344 -1.008 20 0 CAADHN CN1C[C@@H](CN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)OC1=O ZINC001349689781 886144816 /nfs/dbraw/zinc/14/48/16/886144816.db2.gz RJJXBJQZHHSDMP-XHNCKOQMSA-N 0 3 267.285 -1.016 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(c2nccnn2)CC1 ZINC001349815062 886150936 /nfs/dbraw/zinc/15/09/36/886150936.db2.gz DWLHASSJZHXLGE-VIFPVBQESA-N 0 3 266.305 -1.506 20 0 CAADHN CO[C@@H](CN)C(=O)N1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC001349850020 886153322 /nfs/dbraw/zinc/15/33/22/886153322.db2.gz UCPDGQROZBQAKV-AXFHLTTASA-N 0 3 255.318 -1.103 20 0 CAADHN COC(=O)[C@](C)(O)CN1CCC(O)(COCCO)CC1 ZINC001350085950 886161236 /nfs/dbraw/zinc/16/12/36/886161236.db2.gz OFKRNWIVMDQBTJ-GFCCVEGCSA-N 0 3 291.344 -1.254 20 0 CAADHN CN(C)CC(=O)N1CCN(C[C@@H]2CNC(=O)C2)CC1 ZINC001350357394 886167472 /nfs/dbraw/zinc/16/74/72/886167472.db2.gz CXJJMMHWTNOUMH-NSHDSACASA-N 0 3 268.361 -1.172 20 0 CAADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001350410163 886171637 /nfs/dbraw/zinc/17/16/37/886171637.db2.gz KWTRUHSPTWJWSP-UHFFFAOYSA-N 0 3 265.273 -1.048 20 0 CAADHN C[C@@H](CNC(=O)C1=NO[C@H](CN)C1)S(C)(=O)=O ZINC001350420089 886174058 /nfs/dbraw/zinc/17/40/58/886174058.db2.gz WKKYTABAGBVCQM-BQBZGAKWSA-N 0 3 263.319 -1.361 20 0 CAADHN C[C@H](CNC(=O)C1=NO[C@H](CN)C1)S(C)(=O)=O ZINC001350420092 886174428 /nfs/dbraw/zinc/17/44/28/886174428.db2.gz WKKYTABAGBVCQM-RQJHMYQMSA-N 0 3 263.319 -1.361 20 0 CAADHN C[C@@H](CNC(=O)C1=NO[C@@H](CN)C1)S(C)(=O)=O ZINC001350420090 886174760 /nfs/dbraw/zinc/17/47/60/886174760.db2.gz WKKYTABAGBVCQM-NKWVEPMBSA-N 0 3 263.319 -1.361 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1)N(C)C ZINC001350607347 886180598 /nfs/dbraw/zinc/18/05/98/886180598.db2.gz BEWAKKITOAHTGA-ZJUUUORDSA-N 0 3 284.360 -1.225 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CCn2cncn2)C1=O ZINC001350927298 886188163 /nfs/dbraw/zinc/18/81/63/886188163.db2.gz PYXJUFBQBAZYLN-QMMMGPOBSA-N 0 3 252.278 -1.240 20 0 CAADHN Cc1nn(C)cc1S(=O)(=O)N1CCNCCNCC1 ZINC001350913776 886188983 /nfs/dbraw/zinc/18/89/83/886188983.db2.gz IGCHZHMPLUWKFQ-UHFFFAOYSA-N 0 3 287.389 -1.088 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCC[C@@H](CO)C1 ZINC001350964123 886189534 /nfs/dbraw/zinc/18/95/34/886189534.db2.gz HBAWKJFLVVPOBD-GFCCVEGCSA-N 0 3 298.387 -1.761 20 0 CAADHN CO[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001350963491 886189633 /nfs/dbraw/zinc/18/96/33/886189633.db2.gz AUJRNWXVDLDQJX-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN CN(CCO)CCNC(=O)C1(CO)CCOCC1 ZINC001350932935 886190843 /nfs/dbraw/zinc/19/08/43/886190843.db2.gz SFXFTZFBPCNCKI-UHFFFAOYSA-N 0 3 260.334 -1.184 20 0 CAADHN CCON(C)C(=O)C(=O)N1CCNCCNCC1 ZINC001350965435 886193058 /nfs/dbraw/zinc/19/30/58/886193058.db2.gz KVQFPUGMCHKOEL-UHFFFAOYSA-N 0 3 258.322 -1.582 20 0 CAADHN COC[C@@]1(CO)CCN(c2nc(N)nc(N)n2)C1 ZINC001351350663 886207543 /nfs/dbraw/zinc/20/75/43/886207543.db2.gz FNIJOCCIIBWEDN-JTQLQIEISA-N 0 3 254.294 -1.129 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCS(=O)(=O)C1CC1 ZINC001351550803 886212167 /nfs/dbraw/zinc/21/21/67/886212167.db2.gz HUZYPUVWJQHSHQ-UHFFFAOYSA-N 0 3 291.373 -1.513 20 0 CAADHN COC1CCN(CCNC(=O)Cn2ncnn2)CC1 ZINC001351623675 886221058 /nfs/dbraw/zinc/22/10/58/886221058.db2.gz BRZJGZXGZPTRBL-UHFFFAOYSA-N 0 3 268.321 -1.100 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N1CCN2CC[C@H]1C2 ZINC001351783946 886227226 /nfs/dbraw/zinc/22/72/26/886227226.db2.gz VEWVBDJEMNONMT-BDAKNGLRSA-N 0 3 251.286 -1.044 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@H]1CNC(=O)C1 ZINC001351827824 886232129 /nfs/dbraw/zinc/23/21/29/886232129.db2.gz PHWBWOPTKVTFPJ-SECBINFHSA-N 0 3 263.363 -1.006 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@@H]1CNC(=O)C1 ZINC001351827825 886232262 /nfs/dbraw/zinc/23/22/62/886232262.db2.gz PHWBWOPTKVTFPJ-VIFPVBQESA-N 0 3 263.363 -1.006 20 0 CAADHN NC(=O)C1(O)CCN(C(=O)CN2CCCC2)CC1 ZINC001352230591 886238389 /nfs/dbraw/zinc/23/83/89/886238389.db2.gz ZOBYFZRKMLAFMH-UHFFFAOYSA-N 0 3 255.318 -1.079 20 0 CAADHN C[C@@H]1C[C@H]1NC(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001352708210 886243432 /nfs/dbraw/zinc/24/34/32/886243432.db2.gz UTHZQRRIUHKWPX-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](NC[C@H](O)C[C@]1(O)CCOC1)C(=O)N(C)C ZINC001352803468 886248916 /nfs/dbraw/zinc/24/89/16/886248916.db2.gz OFIDTSSJOBRVAO-HOSYDEDBSA-N 0 3 260.334 -1.045 20 0 CAADHN CN1C[C@H](CCNC(=O)C(=O)N2CCCNCC2)CC1=O ZINC001353170738 886263961 /nfs/dbraw/zinc/26/39/61/886263961.db2.gz KMKDXRFZVVGYNF-LLVKDONJSA-N 0 3 296.371 -1.207 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)[C@H](C)O1 ZINC001353311151 886275729 /nfs/dbraw/zinc/27/57/29/886275729.db2.gz RNKCSMOELDBTOW-RCWTZXSCSA-N 0 3 285.344 -1.227 20 0 CAADHN CS(=O)(=O)CCNC[C@]1(OCCO)CCOC1 ZINC001353353977 886276818 /nfs/dbraw/zinc/27/68/18/886276818.db2.gz OCGPQLRTWIMCLU-SNVBAGLBSA-N 0 3 267.347 -1.211 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@H](NC(=O)CC(N)=O)C1)N(C)C ZINC001353529383 886279514 /nfs/dbraw/zinc/27/95/14/886279514.db2.gz AREPFPSSMMRVEJ-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN Cn1cc([C@@H](O)C(=O)NC[C@H]2CNCCO2)cn1 ZINC001353883249 886292301 /nfs/dbraw/zinc/29/23/01/886292301.db2.gz WJKDQKRAUVXHRU-NXEZZACHSA-N 0 3 254.290 -1.442 20 0 CAADHN Cn1cc([C@@H](O)C(=O)NC[C@@H]2CNCCO2)cn1 ZINC001353883251 886292479 /nfs/dbraw/zinc/29/24/79/886292479.db2.gz WJKDQKRAUVXHRU-VHSXEESVSA-N 0 3 254.290 -1.442 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001354096087 886298947 /nfs/dbraw/zinc/29/89/47/886298947.db2.gz NEAYYRKULRGPSS-JZYVYDRUSA-N 0 3 282.344 -1.614 20 0 CAADHN CN(C)C1(C(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)CCC1 ZINC001354116119 886301683 /nfs/dbraw/zinc/30/16/83/886301683.db2.gz VTHFQUWIEXOXKR-MYJAWHEDSA-N 0 3 294.355 -1.471 20 0 CAADHN CCN1C[C@H](CNC(=O)[C@H]2CNCCN2C)CC1=O ZINC001354190200 886301972 /nfs/dbraw/zinc/30/19/72/886301972.db2.gz FOEDPENWWDZKQB-WDEREUQCSA-N 0 3 268.361 -1.125 20 0 CAADHN CCN1C[C@@H](CNC(=O)[C@H]2CNCCN2C)CC1=O ZINC001354190195 886302747 /nfs/dbraw/zinc/30/27/47/886302747.db2.gz FOEDPENWWDZKQB-GHMZBOCLSA-N 0 3 268.361 -1.125 20 0 CAADHN CNS(=O)(=O)CCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC001354206271 886303033 /nfs/dbraw/zinc/30/30/33/886303033.db2.gz XCZYMEZRFRZISO-ZETCQYMHSA-N 0 3 278.334 -1.982 20 0 CAADHN Cn1[nH]cnc1=NC(=O)N1CCNCCNCC1 ZINC001354234094 886305531 /nfs/dbraw/zinc/30/55/31/886305531.db2.gz FWGJYJOYEIXHJY-UHFFFAOYSA-N 0 3 253.310 -1.736 20 0 CAADHN Cc1ncc(NC(=O)C(=O)N2CCNCCNCC2)cn1 ZINC001354269937 886306765 /nfs/dbraw/zinc/30/67/65/886306765.db2.gz KLSLOYHXVIVUFV-UHFFFAOYSA-N 0 3 292.343 -1.255 20 0 CAADHN CN1CCN(CCN2C(=O)N[C@@H](CO)C2=O)CC1(C)C ZINC001354229679 886307370 /nfs/dbraw/zinc/30/73/70/886307370.db2.gz SGROVLXEMAOGKF-JTQLQIEISA-N 0 3 284.360 -1.075 20 0 CAADHN CC(C)[C@H](C(=O)NCCN(C)C(=O)C(N)=O)N(C)C ZINC001355786395 886348025 /nfs/dbraw/zinc/34/80/25/886348025.db2.gz PTHBFKHGPYPYNE-SECBINFHSA-N 0 3 272.349 -1.368 20 0 CAADHN CCn1nncc1CNC(=O)[C@H]1CNCCN1C ZINC001354371171 886310063 /nfs/dbraw/zinc/31/00/63/886310063.db2.gz YTQMRLFJJFVBSE-SNVBAGLBSA-N 0 3 252.322 -1.182 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)[C@@H]1CNCCN1C ZINC001354449726 886314391 /nfs/dbraw/zinc/31/43/91/886314391.db2.gz IFGIRBLIWVQSNI-IUCAKERBSA-N 0 3 258.322 -1.586 20 0 CAADHN O=C(c1[nH]nc2c1CNCC2)N1CCNC[C@@H]1CO ZINC001354595831 886317655 /nfs/dbraw/zinc/31/76/55/886317655.db2.gz ZYALNMDOWBPVII-MRVPVSSYSA-N 0 3 265.317 -1.538 20 0 CAADHN OCc1cn([C@H]2CCCN(C[C@H](O)CO)C2)nn1 ZINC001354752119 886324734 /nfs/dbraw/zinc/32/47/34/886324734.db2.gz IMTGLFVXPMGDMR-QWRGUYRKSA-N 0 3 256.306 -1.240 20 0 CAADHN CS(=O)(=O)N1CC(CN2C[C@H](CO)[C@H](O)C2)C1 ZINC001354765177 886325364 /nfs/dbraw/zinc/32/53/64/886325364.db2.gz UOTABPHHHKJDRK-NXEZZACHSA-N 0 3 264.347 -1.837 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCCON)CC1=O ZINC001355305514 886337238 /nfs/dbraw/zinc/33/72/38/886337238.db2.gz JJHFRZNTLPFBEU-JTQLQIEISA-N 0 3 272.349 -1.207 20 0 CAADHN C[C@H]1[C@H](NC(=O)CN2C(=O)CNC2=O)CCN1C ZINC001355386817 886337797 /nfs/dbraw/zinc/33/77/97/886337797.db2.gz WTSMYSLXKGKXLJ-JGVFFNPUSA-N 0 3 254.290 -1.253 20 0 CAADHN CCN(CC)CC(=O)NCCN(C)C(=O)CC(N)=O ZINC001355618876 886344106 /nfs/dbraw/zinc/34/41/06/886344106.db2.gz WMAVQKFGXPEVII-UHFFFAOYSA-N 0 3 272.349 -1.222 20 0 CAADHN CN(CCNC(=O)C(N)=O)C(=O)[C@H]1CCCN1C ZINC001355867582 886352833 /nfs/dbraw/zinc/35/28/33/886352833.db2.gz XLMAADSMNGVWHL-MRVPVSSYSA-N 0 3 256.306 -1.860 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)C2(O)CCOCC2)C1=O ZINC001356103789 886355757 /nfs/dbraw/zinc/35/57/57/886355757.db2.gz VYBXCVBHEXYBSW-VHSXEESVSA-N 0 3 258.318 -1.291 20 0 CAADHN CON(C)C(=O)[C@H](C)NC[C@H](O)C[C@@]1(O)CCOC1 ZINC001356101480 886356216 /nfs/dbraw/zinc/35/62/16/886356216.db2.gz HGMMVDYKLBNWON-UMNHJUIQSA-N 0 3 276.333 -1.113 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@@H](O)C[C@@]1(O)CCOC1 ZINC001356103848 886356506 /nfs/dbraw/zinc/35/65/06/886356506.db2.gz WKURYWRNXTYEQS-QWRGUYRKSA-N 0 3 296.389 -1.630 20 0 CAADHN C[C@H](NC[C@@H](O)C1(O)CCOCC1)C(=O)N(C)C ZINC001356096106 886356688 /nfs/dbraw/zinc/35/66/88/886356688.db2.gz CELGNOLBBLSNJQ-VHSXEESVSA-N 0 3 260.334 -1.045 20 0 CAADHN CCN(CCNC(=O)C(N)=O)C(=O)CN1CCC[C@H]1C ZINC001356188217 886359389 /nfs/dbraw/zinc/35/93/89/886359389.db2.gz WNRXKMZYQQBBRO-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CCN1CCN(CCC(=O)N2CCNNCC2)CC1 ZINC001356392322 886362969 /nfs/dbraw/zinc/36/29/69/886362969.db2.gz LJNQNCZAVCDLSE-UHFFFAOYSA-N 0 3 269.393 -1.050 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001356464731 886368132 /nfs/dbraw/zinc/36/81/32/886368132.db2.gz ZQDWUUQZLXJVEN-ZSOJELSESA-N 0 3 295.339 -1.617 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC001356545307 886370320 /nfs/dbraw/zinc/37/03/20/886370320.db2.gz TWTWNHFKYDCDLN-SECBINFHSA-N 0 3 291.307 -1.021 20 0 CAADHN CC(C)CN1CCO[C@@H](CNC(=O)[C@H](N)CO)C1 ZINC001357336834 886401043 /nfs/dbraw/zinc/40/10/43/886401043.db2.gz FGIIIJFNXHFHIS-WDEREUQCSA-N 0 3 259.350 -1.221 20 0 CAADHN NC(=O)C(=O)NCCN(C(=O)CN1CCCC1)C1CC1 ZINC001356641817 886375125 /nfs/dbraw/zinc/37/51/25/886375125.db2.gz WJWQLCSIQZHRMR-UHFFFAOYSA-N 0 3 282.344 -1.325 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)C(N)=O)C1)N(C)C ZINC001356778641 886380426 /nfs/dbraw/zinc/38/04/26/886380426.db2.gz PETXWUHQTMTHLN-MRVPVSSYSA-N 0 3 256.306 -1.861 20 0 CAADHN CCCN(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC001356844320 886386836 /nfs/dbraw/zinc/38/68/36/886386836.db2.gz WBPIIXFLGFSECH-UWVGGRQHSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@@H](CNC(=O)CN1CCC[C@H]1C)CNC(=O)C(N)=O ZINC001357034631 886391859 /nfs/dbraw/zinc/39/18/59/886391859.db2.gz QUVYMHJWVZWZCQ-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)CN1CCC[C@H]1C)CNC(=O)C(N)=O ZINC001357034629 886394439 /nfs/dbraw/zinc/39/44/39/886394439.db2.gz QUVYMHJWVZWZCQ-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCS(=O)(=O)NCCCNC(=O)[C@H]1CNCCN1C ZINC001357227239 886395749 /nfs/dbraw/zinc/39/57/49/886395749.db2.gz OSUDHCPYTGJJPG-SNVBAGLBSA-N 0 3 292.405 -1.664 20 0 CAADHN COC(=O)CSCCNC(=O)[C@H]1CNCCN1C ZINC001357254615 886396495 /nfs/dbraw/zinc/39/64/95/886396495.db2.gz PSMHRODLMRTXEG-SECBINFHSA-N 0 3 275.374 -1.088 20 0 CAADHN CN(CCN(C)C(=O)C(N)=O)C(=O)CN(C)C1CCC1 ZINC001357250006 886397537 /nfs/dbraw/zinc/39/75/37/886397537.db2.gz AIZWLGPVYQIGEZ-UHFFFAOYSA-N 0 3 284.360 -1.127 20 0 CAADHN CN(C)C1(C(=O)N(C)CCN(C)C(=O)C(N)=O)CCC1 ZINC001357252604 886397844 /nfs/dbraw/zinc/39/78/44/886397844.db2.gz ZIARYWNLNHPGTH-UHFFFAOYSA-N 0 3 284.360 -1.127 20 0 CAADHN CC(C)[C@@H](C(=O)N(C)CCN(C)C(=O)C(N)=O)N(C)C ZINC001357270087 886399447 /nfs/dbraw/zinc/39/94/47/886399447.db2.gz HNKHZXDVIDYCBF-JTQLQIEISA-N 0 3 286.376 -1.025 20 0 CAADHN COC[C@H](N)C(=O)NC[C@@H](C)N1CCN(C)CC1 ZINC001357431336 886406885 /nfs/dbraw/zinc/40/68/85/886406885.db2.gz SSMTWOXXCCCUBA-MNOVXSKESA-N 0 3 258.366 -1.288 20 0 CAADHN N[C@H](CO)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC001357396612 886407254 /nfs/dbraw/zinc/40/72/54/886407254.db2.gz LIRAUPQZVVZUMH-MXWKQRLJSA-N 0 3 257.334 -1.636 20 0 CAADHN C[C@H]1CCN(CC(=O)NC/C=C\CNC(=O)CC(N)=O)C1 ZINC001357685390 886411754 /nfs/dbraw/zinc/41/17/54/886411754.db2.gz KZWIOSOMZBTUAX-QUCGXOGASA-N 0 3 296.371 -1.008 20 0 CAADHN CN1CCC[C@@H](C(=O)NC[C@H]2CNCCO2)C1=O ZINC001357619655 886412775 /nfs/dbraw/zinc/41/27/75/886412775.db2.gz OPQAIAODDWYMAQ-ZJUUUORDSA-N 0 3 255.318 -1.041 20 0 CAADHN COC(=O)N(C)CC(=O)N[C@@H]1COC2(CNC2)C1 ZINC001357844673 886414369 /nfs/dbraw/zinc/41/43/69/886414369.db2.gz SLNMBEMSJAWCLA-QMMMGPOBSA-N 0 3 257.290 -1.068 20 0 CAADHN CC(C)[C@@H](C(=O)NC/C=C/CNC(=O)C(N)=O)N(C)C ZINC001357910643 886414666 /nfs/dbraw/zinc/41/46/66/886414666.db2.gz QZAQGDCCZYMIFD-PORFMDCZSA-N 0 3 284.360 -1.154 20 0 CAADHN CC(C)[C@@H](C(=O)NC/C=C\CNC(=O)C(N)=O)N(C)C ZINC001357910641 886416166 /nfs/dbraw/zinc/41/61/66/886416166.db2.gz QZAQGDCCZYMIFD-OMMCCPJFSA-N 0 3 284.360 -1.154 20 0 CAADHN COCCNCC(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001358059890 886418225 /nfs/dbraw/zinc/41/82/25/886418225.db2.gz QJNGQJCYQQORFL-LBPRGKRZSA-N 0 3 255.318 -1.039 20 0 CAADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CN(C)C(=O)CN2)CCN1C ZINC001358187554 886420252 /nfs/dbraw/zinc/42/02/52/886420252.db2.gz WTKAIHTZMRXJRQ-BBBLOLIVSA-N 0 3 254.334 -1.375 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)CN2)CCN1C ZINC001358187564 886420528 /nfs/dbraw/zinc/42/05/28/886420528.db2.gz WTKAIHTZMRXJRQ-UTLUCORTSA-N 0 3 254.334 -1.375 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1C2CCC1(C(N)=O)CC2 ZINC001358295652 886424510 /nfs/dbraw/zinc/42/45/10/886424510.db2.gz BABUXCQLZMCHAS-QUNCOHTASA-N 0 3 266.345 -1.101 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1C2CCC1(C(N)=O)CC2 ZINC001358295654 886424863 /nfs/dbraw/zinc/42/48/63/886424863.db2.gz BABUXCQLZMCHAS-RUETXSTFSA-N 0 3 266.345 -1.101 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)NC(=O)C(C)(C)N1CCCC1 ZINC001358531539 886429861 /nfs/dbraw/zinc/42/98/61/886429861.db2.gz OEZJZLTZDNVCQU-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CC)CC(=O)NCC1(NC(=O)CC(N)=O)CC1 ZINC001358664664 886440555 /nfs/dbraw/zinc/44/05/55/886440555.db2.gz YQENCJMOCMQNFJ-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@@](C)(NC(=O)C(N)=O)C1)N(C)C ZINC001358804811 886442466 /nfs/dbraw/zinc/44/24/66/886442466.db2.gz ALUMABWMIOAAAH-TVQRCGJNSA-N 0 3 284.360 -1.081 20 0 CAADHN CCN(CC)CC(=O)N[C@@]1(C)CCN(C(=O)C(N)=O)C1 ZINC001358794566 886442973 /nfs/dbraw/zinc/44/29/73/886442973.db2.gz IAWGYMOYAUPGNF-ZDUSSCGKSA-N 0 3 284.360 -1.079 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001358804968 886443211 /nfs/dbraw/zinc/44/32/11/886443211.db2.gz DOVQHSCEVPROCI-ZDUSSCGKSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)c1cn(CC(N)=O)nn1 ZINC001361630493 886471554 /nfs/dbraw/zinc/47/15/54/886471554.db2.gz HEXASEZLJXLELI-SECBINFHSA-N 0 3 280.332 -1.070 20 0 CAADHN O=C(CN1CCCC1)N1CCN(C(=O)C2(O)COC2)CC1 ZINC001361745367 886481917 /nfs/dbraw/zinc/48/19/17/886481917.db2.gz RTGIAFCNTAXNEG-UHFFFAOYSA-N 0 3 297.355 -1.486 20 0 CAADHN NC(=O)c1ncn(CC(=O)N[C@@]23CCN(C2)CCC3)n1 ZINC001361859608 886496115 /nfs/dbraw/zinc/49/61/15/886496115.db2.gz VLIPODXBCQKRFB-LBPRGKRZSA-N 0 3 278.316 -1.269 20 0 CAADHN CN(C)CCn1nccc1C(=O)NCCS(N)(=O)=O ZINC001361853883 886497095 /nfs/dbraw/zinc/49/70/95/886497095.db2.gz JMAKTTQFTZKBRQ-UHFFFAOYSA-N 0 3 289.361 -1.537 20 0 CAADHN CCN1CCN(CCNC(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001362133060 886543697 /nfs/dbraw/zinc/54/36/97/886543697.db2.gz GQLMHEABRBVANY-SNVBAGLBSA-N 0 3 287.364 -2.231 20 0 CAADHN CN(CCCN1CCN(C)CC1)C(=O)C1(O)COC1 ZINC001362191200 886555360 /nfs/dbraw/zinc/55/53/60/886555360.db2.gz WRPIPJXPEXOGJC-UHFFFAOYSA-N 0 3 271.361 -1.156 20 0 CAADHN CC[C@@H](O)Cn1cc(C(=O)N[C@@H](CO)CN(C)C)nn1 ZINC001362420082 886610105 /nfs/dbraw/zinc/61/01/05/886610105.db2.gz ADJBGKHVYMPIJJ-NXEZZACHSA-N 0 3 285.348 -1.299 20 0 CAADHN CC[C@@H](O)Cn1cc(C(=O)N[C@H](CO)CN(C)C)nn1 ZINC001362420098 886610927 /nfs/dbraw/zinc/61/09/27/886610927.db2.gz ADJBGKHVYMPIJJ-VHSXEESVSA-N 0 3 285.348 -1.299 20 0 CAADHN CCN1CCN(CCC(=O)NC[C@H](O)C(N)=O)CC1 ZINC001362415243 886611719 /nfs/dbraw/zinc/61/17/19/886611719.db2.gz WIRZINMLVFFIKW-JTQLQIEISA-N 0 3 272.349 -2.024 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N1CCNC(C)(C)C1 ZINC001362427805 886614825 /nfs/dbraw/zinc/61/48/25/886614825.db2.gz KQPXJJNLIJRQIG-SECBINFHSA-N 0 3 295.347 -1.612 20 0 CAADHN Nc1ncn(CC(=O)N[C@@H](CO)CN2CCCCC2)n1 ZINC001362436371 886614957 /nfs/dbraw/zinc/61/49/57/886614957.db2.gz YCXFFESTSGQHNJ-SNVBAGLBSA-N 0 3 282.348 -1.177 20 0 CAADHN Nc1ncn(CC(=O)N[C@@H]2CCCN(CCCO)C2)n1 ZINC001362451818 886617571 /nfs/dbraw/zinc/61/75/71/886617571.db2.gz CGJDWSDKNALQLK-SNVBAGLBSA-N 0 3 282.348 -1.177 20 0 CAADHN Nc1nnn(CC(=O)NC[C@H]2CCCCN2CCO)n1 ZINC001362475474 886623593 /nfs/dbraw/zinc/62/35/93/886623593.db2.gz LJNYAAMZYXLRKQ-SECBINFHSA-N 0 3 283.336 -1.782 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CO)CN2CCCC2)O1 ZINC001362507452 886632933 /nfs/dbraw/zinc/63/29/33/886632933.db2.gz BHZPRWJIOCQRQM-GARJFASQSA-N 0 3 285.344 -1.408 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCC(=O)NCCN1CCCCC1 ZINC001362550223 886642962 /nfs/dbraw/zinc/64/29/62/886642962.db2.gz GORQICJJLYBESP-MNOVXSKESA-N 0 3 296.371 -1.174 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)[C@@H](CO)NC(N)=O)CN1C1CC1 ZINC001362550797 886644672 /nfs/dbraw/zinc/64/46/72/886644672.db2.gz ZZYXNVINRYNYIR-NQMVMOMDSA-N 0 3 270.333 -1.243 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(N)=O ZINC001362628023 886661058 /nfs/dbraw/zinc/66/10/58/886661058.db2.gz OQMHRDUEGYDOKW-AXFHLTTASA-N 0 3 298.343 -2.356 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001362741259 886693845 /nfs/dbraw/zinc/69/38/45/886693845.db2.gz QZFWBOAINHELTG-RKDXNWHRSA-N 0 3 273.314 -1.465 20 0 CAADHN CN1CCN(CC2CN(C(=O)Cn3cnc(N)n3)C2)CC1 ZINC001362753600 886696686 /nfs/dbraw/zinc/69/66/86/886696686.db2.gz RNLOSONMIZVBHE-UHFFFAOYSA-N 0 3 293.375 -1.434 20 0 CAADHN CN1CCN(CC2CN(C(=O)Cn3ncnn3)C2)CC1 ZINC001362751850 886696964 /nfs/dbraw/zinc/69/69/64/886696964.db2.gz IQOWZIFGHZBJEV-UHFFFAOYSA-N 0 3 279.348 -1.621 20 0 CAADHN CN1CCN(CC2CN(C(=O)Cn3cncn3)C2)CC1 ZINC001362753923 886697570 /nfs/dbraw/zinc/69/75/70/886697570.db2.gz UIGQUNBHGLZYJB-UHFFFAOYSA-N 0 3 278.360 -1.016 20 0 CAADHN CN1CCN(C2CCN(C(=O)Cn3cnnn3)CC2)CC1 ZINC001362793007 886708582 /nfs/dbraw/zinc/70/85/82/886708582.db2.gz VOAIZAYQULSYDE-UHFFFAOYSA-N 0 3 293.375 -1.089 20 0 CAADHN CN1CCN(C2CCN(C(=O)C3(O)COC3)CC2)CC1 ZINC001362792664 886708982 /nfs/dbraw/zinc/70/89/82/886708982.db2.gz SQUHXJMTFJOWQQ-UHFFFAOYSA-N 0 3 283.372 -1.014 20 0 CAADHN Nc1ncn(CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)n1 ZINC001362838157 886723171 /nfs/dbraw/zinc/72/31/71/886723171.db2.gz GJLMPEDMSVUDRP-NXEZZACHSA-N 0 3 280.332 -1.472 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001362870370 886735293 /nfs/dbraw/zinc/73/52/93/886735293.db2.gz FHKJAENBPMXKML-IVZWLZJFSA-N 0 3 286.332 -2.317 20 0 CAADHN CN(C)CCN1CCN(C(=O)C2(O)COC2)CC1=O ZINC001362905917 886742019 /nfs/dbraw/zinc/74/20/19/886742019.db2.gz XBEACXQTLRUMDR-UHFFFAOYSA-N 0 3 271.317 -2.020 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@H](O)C(C)(C)O)C2)CC1 ZINC001362927058 886747834 /nfs/dbraw/zinc/74/78/34/886747834.db2.gz RXBUKGYWOSGUKI-LBPRGKRZSA-N 0 3 285.388 -1.176 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H](CO)NC(N)=O)CCN(C2CC2)C1 ZINC001362943935 886749354 /nfs/dbraw/zinc/74/93/54/886749354.db2.gz MDOJDGWSNHRVIH-ONGXEEELSA-N 0 3 284.360 -1.042 20 0 CAADHN CC[C@@H](O)Cn1cc(C(=O)NCCN(C)CCO)nn1 ZINC001362954811 886752829 /nfs/dbraw/zinc/75/28/29/886752829.db2.gz LLRNHKRQPWVCPP-SNVBAGLBSA-N 0 3 285.348 -1.297 20 0 CAADHN CN1CCC(N(CCO)C(=O)Cn2nnc(N)n2)CC1 ZINC001362970668 886756230 /nfs/dbraw/zinc/75/62/30/886756230.db2.gz OFZAICKIPRAIDA-UHFFFAOYSA-N 0 3 283.336 -1.830 20 0 CAADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CC(N[C@H]2CCOC2)C1 ZINC001362994766 886763473 /nfs/dbraw/zinc/76/34/73/886763473.db2.gz ZGSXFAQTIXQZIL-CBAPKCEASA-N 0 3 282.300 -1.826 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC(CN2CCN(C)CC2)C1 ZINC001363063805 886783388 /nfs/dbraw/zinc/78/33/88/886783388.db2.gz AGKZNWHCZVJLME-JTQLQIEISA-N 0 3 283.376 -1.251 20 0 CAADHN NC(=O)C[C@H]1COCCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC001363119567 886796770 /nfs/dbraw/zinc/79/67/70/886796770.db2.gz ZROCCMPHGFNJEZ-RYUDHWBXSA-N 0 3 296.371 -1.521 20 0 CAADHN NC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC001363119557 886797715 /nfs/dbraw/zinc/79/77/15/886797715.db2.gz ZROCCMPHGFNJEZ-NEPJUHHUSA-N 0 3 296.371 -1.521 20 0 CAADHN NC(=O)C[C@H]1COCCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC001363119562 886798321 /nfs/dbraw/zinc/79/83/21/886798321.db2.gz ZROCCMPHGFNJEZ-NWDGAFQWSA-N 0 3 296.371 -1.521 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1 ZINC001363154761 886809274 /nfs/dbraw/zinc/80/92/74/886809274.db2.gz HFPGMQFAAOKOOV-MXWKQRLJSA-N 0 3 287.360 -1.162 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)O1 ZINC001363173273 886816511 /nfs/dbraw/zinc/81/65/11/886816511.db2.gz LJQAXIGEAYGIIZ-ZRUFSTJUSA-N 0 3 283.328 -1.703 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1=O ZINC001363204242 886827322 /nfs/dbraw/zinc/82/73/22/886827322.db2.gz VEHWHPUJFQICQO-ZJUUUORDSA-N 0 3 282.344 -1.660 20 0 CAADHN CN(C[C@@H](O)C(C)(C)O)C[C@H](O)CN1CCOCC1 ZINC001363197457 886828147 /nfs/dbraw/zinc/82/81/47/886828147.db2.gz PTMYATRTAWTCEX-NWDGAFQWSA-N 0 3 276.377 -1.257 20 0 CAADHN NC(=O)NCCC(=O)NCC(=O)NCCN1CCCCC1 ZINC001363203244 886828759 /nfs/dbraw/zinc/82/87/59/886828759.db2.gz QCKDEXQWBKRLMQ-UHFFFAOYSA-N 0 3 299.375 -1.237 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CCC(O)(C(N)=O)CC1 ZINC001363235699 886834536 /nfs/dbraw/zinc/83/45/36/886834536.db2.gz LYTFNTPGYYJUPQ-LLVKDONJSA-N 0 3 274.317 -1.387 20 0 CAADHN C[C@H](O)CN(CC1(O)CCS(=O)(=O)CC1)[C@@H](C)CO ZINC001363232973 886835542 /nfs/dbraw/zinc/83/55/42/886835542.db2.gz WGCBVBUWIGBYNV-QWRGUYRKSA-N 0 3 295.401 -1.010 20 0 CAADHN C[C@@H](O)CN(CC1(O)CCS(=O)(=O)CC1)[C@@H](C)CO ZINC001363232976 886836140 /nfs/dbraw/zinc/83/61/40/886836140.db2.gz WGCBVBUWIGBYNV-WDEREUQCSA-N 0 3 295.401 -1.010 20 0 CAADHN NS(=O)(=O)CCCN1CCC(C(=O)NCCO)CC1 ZINC001363265048 886847470 /nfs/dbraw/zinc/84/74/70/886847470.db2.gz DXTLNYZDIMBJKB-UHFFFAOYSA-N 0 3 293.389 -1.515 20 0 CAADHN O=C(CO)NCCC(=O)N[C@H]1CCCN(CCCO)C1 ZINC001363271120 886850843 /nfs/dbraw/zinc/85/08/43/886850843.db2.gz VANBVMOJAQDKBP-NSHDSACASA-N 0 3 287.360 -1.552 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CCCN1C ZINC001363287399 886852627 /nfs/dbraw/zinc/85/26/27/886852627.db2.gz VMYBVPJQJNXHIY-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN O=C(NCc1nc(CO)n[nH]1)C1CN([C@@H]2CCOC2)C1 ZINC001363287690 886857245 /nfs/dbraw/zinc/85/72/45/886857245.db2.gz OENVTJSQPQWURF-SECBINFHSA-N 0 3 281.316 -1.366 20 0 CAADHN O=C(NCc1nc(CO)n[nH]1)C1CN([C@H]2CCOC2)C1 ZINC001363287691 886860348 /nfs/dbraw/zinc/86/03/48/886860348.db2.gz OENVTJSQPQWURF-VIFPVBQESA-N 0 3 281.316 -1.366 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001363299564 886861256 /nfs/dbraw/zinc/86/12/56/886861256.db2.gz YCWAMVNMHGLNGF-ONGXEEELSA-N 0 3 294.373 -1.219 20 0 CAADHN CC1CCN(CC(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC001363317765 886865507 /nfs/dbraw/zinc/86/55/07/886865507.db2.gz QTTCTNLKLSBKKI-QWRGUYRKSA-N 0 3 296.371 -1.237 20 0 CAADHN NS(=O)(=O)CCCC(=O)N[C@@H](CO)CN1CCCC1 ZINC001363373635 886884395 /nfs/dbraw/zinc/88/43/95/886884395.db2.gz JFCHKHVTPQUBDF-SNVBAGLBSA-N 0 3 293.389 -1.372 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H](CO)CN1CCCC1 ZINC001363373429 886885576 /nfs/dbraw/zinc/88/55/76/886885576.db2.gz HXGRYHVKDGSAAN-VIFPVBQESA-N 0 3 294.377 -2.387 20 0 CAADHN CN(C)CCn1nccc1C(=O)N1C[C@H](O)C[C@H]1C(N)=O ZINC001363474090 886908757 /nfs/dbraw/zinc/90/87/57/886908757.db2.gz HJEGSPJILJFOTG-KOLCDFICSA-N 0 3 295.343 -1.495 20 0 CAADHN CCOC(=O)C[C@@H](O)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001363625119 886949997 /nfs/dbraw/zinc/94/99/97/886949997.db2.gz BVOBGBPBSUJNMO-MWLCHTKSSA-N 0 3 286.328 -1.110 20 0 CAADHN O=C([C@H]1CCS(=O)(=O)N1)N1CC(N[C@@H]2CCOC2)C1 ZINC001363632787 886953957 /nfs/dbraw/zinc/95/39/57/886953957.db2.gz MZPFKLCYDQFQNC-PSASIEDQSA-N 0 3 289.357 -1.733 20 0 CAADHN O=C([C@H]1CCS(=O)(=O)N1)N1CC(N[C@H]2CCOC2)C1 ZINC001363632814 886953991 /nfs/dbraw/zinc/95/39/91/886953991.db2.gz MZPFKLCYDQFQNC-WCBMZHEXSA-N 0 3 289.357 -1.733 20 0 CAADHN C[NH+](C)C[C@@]1(O)CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1 ZINC001363682817 886958481 /nfs/dbraw/zinc/95/84/81/886958481.db2.gz YEIAFFKLDDIZEJ-LBPRGKRZSA-N 0 3 297.315 -1.391 20 0 CAADHN COC(=O)CNC(=O)CN[C@H]1CCCS(=O)(=O)CC1 ZINC001363680902 886960199 /nfs/dbraw/zinc/96/01/99/886960199.db2.gz GZNWWBRGQWBGFZ-VIFPVBQESA-N 0 3 292.357 -1.168 20 0 CAADHN O=C(CN1CCNC(=O)C1)N1CC(N[C@H]2CCOC2)C1 ZINC001363671583 886960257 /nfs/dbraw/zinc/96/02/57/886960257.db2.gz DMXYLQVGZJJVEV-JTQLQIEISA-N 0 3 282.344 -1.993 20 0 CAADHN COC(=O)COCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001363672465 886960276 /nfs/dbraw/zinc/96/02/76/886960276.db2.gz FLTOXZZJJLJLRF-SECBINFHSA-N 0 3 272.301 -1.235 20 0 CAADHN O=C(CN1CCNC(=O)C1)N1CC(N[C@@H]2CCOC2)C1 ZINC001363671589 886960461 /nfs/dbraw/zinc/96/04/61/886960461.db2.gz DMXYLQVGZJJVEV-SNVBAGLBSA-N 0 3 282.344 -1.993 20 0 CAADHN NS(=O)(=O)C1(C(=O)N2CC(N[C@@H]3CCOC3)C2)CC1 ZINC001363704923 886963212 /nfs/dbraw/zinc/96/32/12/886963212.db2.gz OVMJQRZFUPMYLQ-MRVPVSSYSA-N 0 3 289.357 -1.603 20 0 CAADHN O=C(CO)NCCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001363705216 886963313 /nfs/dbraw/zinc/96/33/13/886963313.db2.gz PMBWJQLHFMMLQQ-VIFPVBQESA-N 0 3 271.317 -1.926 20 0 CAADHN CC(C)(O)[C@@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC001363783796 886979842 /nfs/dbraw/zinc/97/98/42/886979842.db2.gz YDZSEZVDOACXCM-ZJUUUORDSA-N 0 3 295.405 -1.377 20 0 CAADHN COC(=O)Cn1cc(CCN2C[C@H](O)[C@H](CO)C2)nn1 ZINC001363787684 886980970 /nfs/dbraw/zinc/98/09/70/886980970.db2.gz JNTQMTWLNQPNSR-ONGXEEELSA-N 0 3 284.316 -1.721 20 0 CAADHN COC(=O)Cn1cc(CCN2C[C@H](CO)[C@H](O)C2)nn1 ZINC001363787683 886981008 /nfs/dbraw/zinc/98/10/08/886981008.db2.gz JNTQMTWLNQPNSR-MWLCHTKSSA-N 0 3 284.316 -1.721 20 0 CAADHN NS(=O)(=O)CCCN1CC[C@H](CS(N)(=O)=O)C1 ZINC001363841872 886993873 /nfs/dbraw/zinc/99/38/73/886993873.db2.gz PIKGWLHLNKOSOR-QMMMGPOBSA-N 0 3 285.391 -1.725 20 0 CAADHN Cn1nnnc1CCN[C@@](C)(Cn1cccn1)C(N)=O ZINC001363850943 886995234 /nfs/dbraw/zinc/99/52/34/886995234.db2.gz LTNJLGQJJXCULV-NSHDSACASA-N 0 3 278.320 -1.517 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NC[C@H]1CCCCN1C)C(N)=O ZINC001363850098 886995593 /nfs/dbraw/zinc/99/55/93/886995593.db2.gz PPWUYULPVGLTFO-MNOVXSKESA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(N1CC[C@@H]2[C@@H]1CCCN2CCO)C1(O)COC1 ZINC001363885019 886998614 /nfs/dbraw/zinc/99/86/14/886998614.db2.gz LHCNVRNBYGIRPS-MNOVXSKESA-N 0 3 270.329 -1.195 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC(CO)(CO)C2)CC1=O ZINC001363959908 887010120 /nfs/dbraw/zinc/01/01/20/887010120.db2.gz NHMGGMPPUBBDTE-LLVKDONJSA-N 0 3 299.371 -1.790 20 0 CAADHN CN(C)CCCS(=O)(=O)NC1(C(N)=O)CCOCC1 ZINC001364000375 887014664 /nfs/dbraw/zinc/01/46/64/887014664.db2.gz RAKDRWQWNHFVRN-UHFFFAOYSA-N 0 3 293.389 -1.108 20 0 CAADHN CN(C)CCCS(=O)(=O)NCCC(=O)NC(N)=O ZINC001363991589 887016440 /nfs/dbraw/zinc/01/64/40/887016440.db2.gz VULUZYVDLDQCTR-UHFFFAOYSA-N 0 3 280.350 -1.558 20 0 CAADHN NC(=O)C1(O)CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC001364086290 887029500 /nfs/dbraw/zinc/02/95/00/887029500.db2.gz XHZYYOUDWUCKOC-LLVKDONJSA-N 0 3 296.371 -1.785 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C2CC2)C[C@H]1C(N)=O ZINC001364193289 887042157 /nfs/dbraw/zinc/04/21/57/887042157.db2.gz KGSILBXPLFAEGS-AXFHLTTASA-N 0 3 294.355 -1.342 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@H]2CCCN2C2CC2)C[C@H]1C(N)=O ZINC001364193331 887043512 /nfs/dbraw/zinc/04/35/12/887043512.db2.gz KGSILBXPLFAEGS-OUAUKWLOSA-N 0 3 294.355 -1.342 20 0 CAADHN CC(C)[C@@H](C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)N(C)C ZINC001364212584 887045346 /nfs/dbraw/zinc/04/53/46/887045346.db2.gz ZCRZKDHQDJYJKA-AEJSXWLSSA-N 0 3 284.360 -1.382 20 0 CAADHN CN1C[C@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C(C)(C)C1 ZINC001364240718 887050206 /nfs/dbraw/zinc/05/02/06/887050206.db2.gz UQSWIRNCTDXYEJ-WISYIIOYSA-N 0 3 284.356 -1.144 20 0 CAADHN Cn1nnc(CNC(=O)N[C@H]2CCCN(CCCO)C2)n1 ZINC001364262057 887051092 /nfs/dbraw/zinc/05/10/92/887051092.db2.gz FPRNGLUANIBAGX-JTQLQIEISA-N 0 3 297.363 -1.144 20 0 CAADHN Cn1nnc(CNC(=O)N[C@@H]2CCCN(CCCO)C2)n1 ZINC001364262062 887052580 /nfs/dbraw/zinc/05/25/80/887052580.db2.gz FPRNGLUANIBAGX-SNVBAGLBSA-N 0 3 297.363 -1.144 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N1CC(N[C@H]2CCOC2)C1)C(N)=O ZINC001364285005 887055744 /nfs/dbraw/zinc/05/57/44/887055744.db2.gz BVZOVPRDVJKZEC-ONGXEEELSA-N 0 3 298.343 -2.044 20 0 CAADHN CCN1C[C@@H](NC(=O)NC[C@]2(O)CCN(C)C2)CC1=O ZINC001364274432 887056207 /nfs/dbraw/zinc/05/62/07/887056207.db2.gz PVDYMCVWFPUVDS-GXFFZTMASA-N 0 3 284.360 -1.027 20 0 CAADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCN1CC[C@H](O)C1 ZINC001364357474 887069264 /nfs/dbraw/zinc/06/92/64/887069264.db2.gz YRISNPBNSWGQSP-VIFPVBQESA-N 0 3 296.327 -1.078 20 0 CAADHN CNC(=O)N[C@H]1CCN(C[C@@H](O)C2(O)CCOCC2)C1 ZINC001364384851 887074925 /nfs/dbraw/zinc/07/49/25/887074925.db2.gz ISBVLMYFBFFYFT-WDEREUQCSA-N 0 3 287.360 -1.108 20 0 CAADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NC[C@@H](O)CO)cn1 ZINC001364391223 887075392 /nfs/dbraw/zinc/07/53/92/887075392.db2.gz ODHFWWJNPTWUFL-UPJWGTAASA-N 0 3 296.371 -1.075 20 0 CAADHN CNC(=O)N[C@@H]1CCN(C[C@H](O)C2(O)CCOCC2)C1 ZINC001364384846 887076942 /nfs/dbraw/zinc/07/69/42/887076942.db2.gz ISBVLMYFBFFYFT-MNOVXSKESA-N 0 3 287.360 -1.108 20 0 CAADHN Nc1nnn(CC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)n1 ZINC001364416415 887079059 /nfs/dbraw/zinc/07/90/59/887079059.db2.gz PIKAPGWFKJGDLO-UWVGGRQHSA-N 0 3 295.347 -1.687 20 0 CAADHN COC(=O)CNC(=O)CCN1CCN(CCO)C[C@@H]1C ZINC001364446074 887087638 /nfs/dbraw/zinc/08/76/38/887087638.db2.gz PCMQMFDTVUNXBG-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN OCC1(CO)CCN(C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001364490378 887096266 /nfs/dbraw/zinc/09/62/66/887096266.db2.gz BCJABQNEZMIEBT-JSGCOSHPSA-N 0 3 289.372 -1.044 20 0 CAADHN OC[C@]12COCCN1CCN(CC1(O)CCOCC1)C2 ZINC001364501598 887097988 /nfs/dbraw/zinc/09/79/88/887097988.db2.gz CLCFCVHSPVLNQV-CYBMUJFWSA-N 0 3 286.372 -1.093 20 0 CAADHN OCC1(CO)CCN(C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001364490536 887099845 /nfs/dbraw/zinc/09/98/45/887099845.db2.gz BCJABQNEZMIEBT-TZMCWYRMSA-N 0 3 289.372 -1.044 20 0 CAADHN CS(=O)(=O)NC[C@@H]1CCN(CCCS(N)(=O)=O)C1 ZINC001364493097 887100288 /nfs/dbraw/zinc/10/02/88/887100288.db2.gz WQIQDGMJLKBAFK-VIFPVBQESA-N 0 3 299.418 -1.464 20 0 CAADHN C[C@](Cn1cccn1)(NC[C@@H](O)Cn1cccn1)C(N)=O ZINC001364520750 887101264 /nfs/dbraw/zinc/10/12/64/887101264.db2.gz FAQLETRDALGRHY-DGCLKSJQSA-N 0 3 292.343 -1.026 20 0 CAADHN C[C@@](Cn1cccn1)(NC[C@@H](O)Cn1cccn1)C(N)=O ZINC001364520754 887102063 /nfs/dbraw/zinc/10/20/63/887102063.db2.gz FAQLETRDALGRHY-YPMHNXCESA-N 0 3 292.343 -1.026 20 0 CAADHN CN1CCN(c2ncc(CNC(CO)CO)cn2)CC1 ZINC001364582050 887111870 /nfs/dbraw/zinc/11/18/70/887111870.db2.gz QSZFRYIQYPSLQY-UHFFFAOYSA-N 0 3 281.360 -1.329 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC001364638290 887116861 /nfs/dbraw/zinc/11/68/61/887116861.db2.gz GWTGFSGEKRONDI-HOSYDEDBSA-N 0 3 273.333 -1.234 20 0 CAADHN CN(C[C@@H](O)CN1C[C@@H](O)[C@@H](O)C1)CC(F)(F)F ZINC001364657039 887120865 /nfs/dbraw/zinc/12/08/65/887120865.db2.gz UOTZSSRGQBENJF-HLTSFMKQSA-N 0 3 272.267 -1.121 20 0 CAADHN O=C1COC[C@@]2(CNC3COCCOC3)COCCN12 ZINC001364705167 887122847 /nfs/dbraw/zinc/12/28/47/887122847.db2.gz LIOPNCWYDXHBDY-CYBMUJFWSA-N 0 3 286.328 -1.381 20 0 CAADHN O=C1CO[C@@H]2CCN(C[C@H](O)C3(O)CCC3)C[C@H]2N1 ZINC001364718760 887126606 /nfs/dbraw/zinc/12/66/06/887126606.db2.gz SDTNTEDWPZPDCI-MXWKQRLJSA-N 0 3 270.329 -1.148 20 0 CAADHN CCN(CCO)CCNC(=O)NCc1nc(N(C)C)n[nH]1 ZINC001364740407 887128524 /nfs/dbraw/zinc/12/85/24/887128524.db2.gz CNDOFALFLMZUGS-UHFFFAOYSA-N 0 3 299.379 -1.016 20 0 CAADHN CN(C)C(=O)OCCN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364753987 887130151 /nfs/dbraw/zinc/13/01/51/887130151.db2.gz DVRPIEWYDNQTTD-OCAPTIKFSA-N 0 3 272.305 -1.797 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CC[C@H](CS(N)(=O)=O)C1 ZINC001364816034 887138755 /nfs/dbraw/zinc/13/87/55/887138755.db2.gz VVKMXCFCMWNDJB-GXSJLCMTSA-N 0 3 294.373 -1.089 20 0 CAADHN O=C1NCC[C@@H]1CCN1CCN2CCOC[C@@]2(CO)C1 ZINC001364821795 887138937 /nfs/dbraw/zinc/13/89/37/887138937.db2.gz WKNOWWHWHXBMOX-OCCSQVGLSA-N 0 3 283.372 -1.109 20 0 CAADHN O=S1(=O)CCCN1CCN1C[C@H](CO)[C@@H](CCO)C1 ZINC001364843337 887145247 /nfs/dbraw/zinc/14/52/47/887145247.db2.gz KMXOWUIUVROGAU-NWDGAFQWSA-N 0 3 292.401 -1.055 20 0 CAADHN CO[C@@H]1COCC[C@H]1CNCc1cn(CC(N)=O)nn1 ZINC001364895355 887151302 /nfs/dbraw/zinc/15/13/02/887151302.db2.gz JRWGDXIBDZNEQV-GXSJLCMTSA-N 0 3 283.332 -1.096 20 0 CAADHN CO[C@H]1COCC[C@@H]1CNCc1cn(CC(N)=O)nn1 ZINC001364895360 887151596 /nfs/dbraw/zinc/15/15/96/887151596.db2.gz JRWGDXIBDZNEQV-KOLCDFICSA-N 0 3 283.332 -1.096 20 0 CAADHN CO[C@@H]1COCC[C@@H]1CNCc1cn(CC(N)=O)nn1 ZINC001364895365 887152661 /nfs/dbraw/zinc/15/26/61/887152661.db2.gz JRWGDXIBDZNEQV-MWLCHTKSSA-N 0 3 283.332 -1.096 20 0 CAADHN CNC(=O)CCN(C)CC1(O)CCS(=O)(=O)CC1 ZINC001365270947 887187761 /nfs/dbraw/zinc/18/77/61/887187761.db2.gz NCKNPFBTCGQQGM-UHFFFAOYSA-N 0 3 278.374 -1.006 20 0 CAADHN O=C(CN1CCOCC1=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001364999258 887164233 /nfs/dbraw/zinc/16/42/33/887164233.db2.gz YCXNCDKPXSRHKJ-SNVBAGLBSA-N 0 3 283.328 -1.566 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N[C@@H]1COC[C@@H]1O ZINC001365104167 887170696 /nfs/dbraw/zinc/17/06/96/887170696.db2.gz PZVIXCOLTHHPSX-KXNHARMFSA-N 0 3 285.344 -1.092 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001365133228 887174180 /nfs/dbraw/zinc/17/41/80/887174180.db2.gz HSPRYWVMEDAAAP-UWVGGRQHSA-N 0 3 293.389 -1.110 20 0 CAADHN CNC(=O)[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC001365197893 887181080 /nfs/dbraw/zinc/18/10/80/887181080.db2.gz QNFRLPCBXFJTKI-VXGBXAGGSA-N 0 3 280.372 -1.029 20 0 CAADHN CNC(=O)[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC001365197890 887182570 /nfs/dbraw/zinc/18/25/70/887182570.db2.gz QNFRLPCBXFJTKI-NWDGAFQWSA-N 0 3 280.372 -1.029 20 0 CAADHN CN(C)C(=O)CN1CCCN(c2nc(N)nc(N)n2)CC1 ZINC001365243084 887184948 /nfs/dbraw/zinc/18/49/48/887184948.db2.gz ODFUKVNMZKRBEF-UHFFFAOYSA-N 0 3 294.363 -1.364 20 0 CAADHN CN1C(=O)N=NC1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001365247979 887185213 /nfs/dbraw/zinc/18/52/13/887185213.db2.gz AYZQNYCESUSYOT-DTWKUNHWSA-N 0 3 296.331 -1.519 20 0 CAADHN OCC1(CO)CCN(C[C@H](O)CC2(O)CCOCC2)C1 ZINC001365315488 887191000 /nfs/dbraw/zinc/19/10/00/887191000.db2.gz CCXVXMUMKFGQBL-GFCCVEGCSA-N 0 3 289.372 -1.044 20 0 CAADHN Cn1nnnc1CCN1CCC2(CC1)C[C@@H](O)CNC2=O ZINC001365343400 887197703 /nfs/dbraw/zinc/19/77/03/887197703.db2.gz USEMWYLUZYDQEP-SNVBAGLBSA-N 0 3 294.359 -1.284 20 0 CAADHN NS(=O)(=O)C[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001365335960 887198209 /nfs/dbraw/zinc/19/82/09/887198209.db2.gz SPTRMWQJLSHTKR-LLVKDONJSA-N 0 3 277.390 -1.071 20 0 CAADHN C[C@H](CN1CCN(C)CC1)NCc1cn(CC(N)=O)nn1 ZINC001365356838 887198350 /nfs/dbraw/zinc/19/83/50/887198350.db2.gz HWRHAKUKVFZYBE-LLVKDONJSA-N 0 3 295.391 -1.511 20 0 CAADHN NS(=O)(=O)C[C@H]1CCN(CCN2CCOCC2)C1 ZINC001365335967 887198513 /nfs/dbraw/zinc/19/85/13/887198513.db2.gz SPTRMWQJLSHTKR-NSHDSACASA-N 0 3 277.390 -1.071 20 0 CAADHN C[C@@H](CN1CCN(C)CC1)NCc1cn(CC(N)=O)nn1 ZINC001365356840 887198734 /nfs/dbraw/zinc/19/87/34/887198734.db2.gz HWRHAKUKVFZYBE-NSHDSACASA-N 0 3 295.391 -1.511 20 0 CAADHN NC(=O)Cn1cc(CNC[C@@H]2CC(=O)N(C3CC3)C2)nn1 ZINC001365460293 887215733 /nfs/dbraw/zinc/21/57/33/887215733.db2.gz IBTAFMAGZTVDEV-VIFPVBQESA-N 0 3 292.343 -1.136 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1C[C@H](CO)[C@H](O)C1 ZINC001365556325 887219609 /nfs/dbraw/zinc/21/96/09/887219609.db2.gz WEVCCOQWDOAXDU-FDYHWXHSSA-N 0 3 299.371 -1.156 20 0 CAADHN COCn1ncc(C)c1CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001365610862 887225047 /nfs/dbraw/zinc/22/50/47/887225047.db2.gz SACHRIRZDXKOKD-NXEZZACHSA-N 0 3 295.343 -1.186 20 0 CAADHN CNC(=O)C[C@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC001365590239 887226066 /nfs/dbraw/zinc/22/60/66/887226066.db2.gz RUHZFDLAOWZWHF-CABZTGNLSA-N 0 3 272.349 -1.123 20 0 CAADHN CNC(=O)C[C@@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC001365590238 887227049 /nfs/dbraw/zinc/22/70/49/887227049.db2.gz RUHZFDLAOWZWHF-BXKDBHETSA-N 0 3 272.349 -1.123 20 0 CAADHN CCN(CCO)CCNC(=O)NC[C@H]1CNC(=O)C1 ZINC001365646256 887230193 /nfs/dbraw/zinc/23/01/93/887230193.db2.gz OEDZBQKNKGSHDU-SNVBAGLBSA-N 0 3 272.349 -1.264 20 0 CAADHN CCN1CC[C@@H]1CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001365796238 887247007 /nfs/dbraw/zinc/24/70/07/887247007.db2.gz RDFDKGDRILMZRL-MNOVXSKESA-N 0 3 284.360 -1.081 20 0 CAADHN CCN1CC[C@H]1CN(C)C(=O)C[C@H](NC(C)=O)C(N)=O ZINC001365796240 887247128 /nfs/dbraw/zinc/24/71/28/887247128.db2.gz RDFDKGDRILMZRL-QWRGUYRKSA-N 0 3 284.360 -1.081 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001365850538 887249053 /nfs/dbraw/zinc/24/90/53/887249053.db2.gz XZKRWZZTBITNHT-OPRDCNLKSA-N 0 3 292.343 -1.280 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001365933510 887249632 /nfs/dbraw/zinc/24/96/32/887249632.db2.gz CDXINRPTCVJNMG-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001365891998 887249702 /nfs/dbraw/zinc/24/97/02/887249702.db2.gz MIWANLSQIXWPGX-UWVGGRQHSA-N 0 3 299.375 -1.111 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001365857154 887250889 /nfs/dbraw/zinc/25/08/89/887250889.db2.gz GUYSYERZAUPTOD-DTWKUNHWSA-N 0 3 280.332 -1.293 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001365891159 887251106 /nfs/dbraw/zinc/25/11/06/887251106.db2.gz LAJFFYSSWWPGGM-MXWKQRLJSA-N 0 3 298.347 -1.741 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CCc2cnn[nH]2)CCN1CC(N)=O ZINC001365886855 887252114 /nfs/dbraw/zinc/25/21/14/887252114.db2.gz JKABELSKGLSNHI-SCZZXKLOSA-N 0 3 280.332 -1.198 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)CN2CCCC2=O)C1 ZINC001365967666 887253188 /nfs/dbraw/zinc/25/31/88/887253188.db2.gz FEJGAOWKSKDLDB-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN CCN1CCN(CCNC(=O)CCNC(N)=O)CC1 ZINC001365965091 887253770 /nfs/dbraw/zinc/25/37/70/887253770.db2.gz FUOVQSNLXLYBOK-UHFFFAOYSA-N 0 3 271.365 -1.202 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001365949974 887255690 /nfs/dbraw/zinc/25/56/90/887255690.db2.gz JMTDMNRNFGGFLL-MNOVXSKESA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001365949982 887255757 /nfs/dbraw/zinc/25/57/57/887255757.db2.gz JMTDMNRNFGGFLL-WDEREUQCSA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001365949969 887257323 /nfs/dbraw/zinc/25/73/23/887257323.db2.gz JMTDMNRNFGGFLL-GHMZBOCLSA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](NC(=O)CNC(C)=O)C1 ZINC001365934715 887258549 /nfs/dbraw/zinc/25/85/49/887258549.db2.gz GOMVPYFNTDPUDG-NWDGAFQWSA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001365978872 887260403 /nfs/dbraw/zinc/26/04/03/887260403.db2.gz GNSICIVKTPEJAI-GRYCIOLGSA-N 0 3 299.371 -1.147 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001365992946 887260443 /nfs/dbraw/zinc/26/04/43/887260443.db2.gz ZNRXRCSACUFPRV-VHSXEESVSA-N 0 3 296.327 -1.419 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001366000817 887260923 /nfs/dbraw/zinc/26/09/23/887260923.db2.gz BRGQWEUUTQMAJH-VWYCJHECSA-N 0 3 285.344 -1.537 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001365992944 887261027 /nfs/dbraw/zinc/26/10/27/887261027.db2.gz ZNRXRCSACUFPRV-UWVGGRQHSA-N 0 3 296.327 -1.419 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(CCCO)C1 ZINC001365986732 887262582 /nfs/dbraw/zinc/26/25/82/887262582.db2.gz DQSVNCUEHPTEIU-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001366000810 887263911 /nfs/dbraw/zinc/26/39/11/887263911.db2.gz BRGQWEUUTQMAJH-DCAQKATOSA-N 0 3 285.344 -1.537 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001365992947 887265081 /nfs/dbraw/zinc/26/50/81/887265081.db2.gz ZNRXRCSACUFPRV-ZJUUUORDSA-N 0 3 296.327 -1.419 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)n1 ZINC001366092747 887265794 /nfs/dbraw/zinc/26/57/94/887265794.db2.gz PXCNNXRAPXRARA-JTQLQIEISA-N 0 3 292.343 -1.102 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001366038858 887265825 /nfs/dbraw/zinc/26/58/25/887265825.db2.gz YVWITCBJPRAAFR-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CNC(=O)CCNC(N)=O)C1CC1 ZINC001366081201 887266043 /nfs/dbraw/zinc/26/60/43/887266043.db2.gz URGYKYLIHQFCRP-SCZZXKLOSA-N 0 3 299.375 -1.336 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001366093041 887266100 /nfs/dbraw/zinc/26/61/00/887266100.db2.gz GRHHEAHLFPITND-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CN1CC[C@H](N[C@H]2CCN(C(=O)CCNC(N)=O)C2)C1=O ZINC001366098731 887266158 /nfs/dbraw/zinc/26/61/58/887266158.db2.gz DGXSBVPASJLIOU-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001366052640 887266463 /nfs/dbraw/zinc/26/64/63/887266463.db2.gz GIMSWSRWMLMTPK-LPEHRKFASA-N 0 3 298.343 -2.011 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001366093042 887266563 /nfs/dbraw/zinc/26/65/63/887266563.db2.gz GRHHEAHLFPITND-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001366094980 887266863 /nfs/dbraw/zinc/26/68/63/887266863.db2.gz YZZARMGGUCVJRR-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC)C1 ZINC001366094979 887267414 /nfs/dbraw/zinc/26/74/14/887267414.db2.gz YZZARMGGUCVJRR-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001366035723 887267444 /nfs/dbraw/zinc/26/74/44/887267444.db2.gz SVRWXHMRSGSYHT-JTQLQIEISA-N 0 3 295.347 -1.754 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCN(C(=O)CCNC(N)=O)C2)C1=O ZINC001366098748 887267564 /nfs/dbraw/zinc/26/75/64/887267564.db2.gz DGXSBVPASJLIOU-VHSXEESVSA-N 0 3 297.359 -1.534 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)C1CC1 ZINC001366056995 887267648 /nfs/dbraw/zinc/26/76/48/887267648.db2.gz HAAYXGWONCOPKT-SECBINFHSA-N 0 3 295.343 -1.030 20 0 CAADHN O=C(CNC(=O)C1CC1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001366087706 887267786 /nfs/dbraw/zinc/26/77/86/887267786.db2.gz MSFILRGEHBTPDE-WDEREUQCSA-N 0 3 294.355 -1.408 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1)C(N)=O ZINC001366086586 887267873 /nfs/dbraw/zinc/26/78/73/887267873.db2.gz COUGUXOGHJSMSF-WPRPVWTQSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CNC(=O)CCNC(N)=O)C1CC1 ZINC001366081198 887268682 /nfs/dbraw/zinc/26/86/82/887268682.db2.gz URGYKYLIHQFCRP-PSASIEDQSA-N 0 3 299.375 -1.336 20 0 CAADHN Cn1nc(C(=O)NC[C@@H](NCC(N)=O)C2CC2)ccc1=O ZINC001366054518 887268986 /nfs/dbraw/zinc/26/89/86/887268986.db2.gz IXSYLCNVBUADTA-SNVBAGLBSA-N 0 3 293.327 -1.636 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001366038841 887269139 /nfs/dbraw/zinc/26/91/39/887269139.db2.gz YVWITCBJPRAAFR-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001366089152 887269467 /nfs/dbraw/zinc/26/94/67/887269467.db2.gz GDQLMCHCBTXKLN-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001366096176 887269947 /nfs/dbraw/zinc/26/99/47/887269947.db2.gz SGDIXOVRFDNLBJ-QMMMGPOBSA-N 0 3 292.299 -1.524 20 0 CAADHN CNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCc2nnc[n-]2)C1 ZINC001366111128 887271721 /nfs/dbraw/zinc/27/17/21/887271721.db2.gz VVUMLTQJFBAGKJ-KYZUINATSA-N 0 3 280.332 -1.280 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCc2cn(C)nn2)C1 ZINC001366106047 887273430 /nfs/dbraw/zinc/27/34/30/887273430.db2.gz GIFRCMBQWOEETB-JTQLQIEISA-N 0 3 294.359 -1.316 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001366220938 887274030 /nfs/dbraw/zinc/27/40/30/887274030.db2.gz VAHYMRTUSUMQPH-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)N[C@@H]1CCNC1=O ZINC001366244874 887274790 /nfs/dbraw/zinc/27/47/90/887274790.db2.gz AWDSGKNUCVQAGS-HTQZYQBOSA-N 0 3 279.300 -1.221 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN1CCCC1=O ZINC001366246556 887275107 /nfs/dbraw/zinc/27/51/07/887275107.db2.gz AHRWBVYGNKADBA-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN Cn1cc(C(=O)N2CCCC[C@@H]2CNCC(N)=O)nn1 ZINC001366217193 887276656 /nfs/dbraw/zinc/27/66/56/887276656.db2.gz QKHSGRPXEGDCIY-SECBINFHSA-N 0 3 280.332 -1.115 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)NCc1cnn(C)c1 ZINC001366246675 887277014 /nfs/dbraw/zinc/27/70/14/887277014.db2.gz ASPADBGUNKCGOA-VIFPVBQESA-N 0 3 278.320 -1.299 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1)N[C@H]1CCCNC1=O ZINC001366258437 887278131 /nfs/dbraw/zinc/27/81/31/887278131.db2.gz FGKOYQPXSZKMPQ-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)N1CCCC1 ZINC001366258695 887278350 /nfs/dbraw/zinc/27/83/50/887278350.db2.gz GNTNQWXDMMIPTB-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CO[C@H](C)CC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001366253715 887278459 /nfs/dbraw/zinc/27/84/59/887278459.db2.gz AJIZCOQFAJVMLO-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@@H](CNC(=O)c1ccn[nH]1)NCC(=O)N1CCOCC1 ZINC001366264985 887278611 /nfs/dbraw/zinc/27/86/11/887278611.db2.gz VGWMLNRBEVLCFP-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cncnc1 ZINC001366265492 887279099 /nfs/dbraw/zinc/27/90/99/887279099.db2.gz XBLGVXJWIMFKKY-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001366269730 887279665 /nfs/dbraw/zinc/27/96/65/887279665.db2.gz YQDXOKDBPCEFKM-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@H](CNC(=O)c1cncnc1)N[C@H](C)C(=O)NC(N)=O ZINC001366262608 887279812 /nfs/dbraw/zinc/27/98/12/887279812.db2.gz PRIKGTPITJFOBQ-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@H](CNC(=O)C[C@H]1CCCO1)NCC(=O)NC(N)=O ZINC001366253934 887280286 /nfs/dbraw/zinc/28/02/86/887280286.db2.gz GQXKQJQAZPDXCH-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCOC1)NCC(=O)NC(N)=O ZINC001366257080 887280846 /nfs/dbraw/zinc/28/08/46/887280846.db2.gz IIGPZHALYHONMM-SFYZADRCSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@@H](CNC(=O)CCn1cccn1)NCC(=O)NC(N)=O ZINC001366255721 887281641 /nfs/dbraw/zinc/28/16/41/887281641.db2.gz HXKKHOXGEXNDBS-VIFPVBQESA-N 0 3 296.331 -1.438 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCn1cncn1 ZINC001366254197 887281878 /nfs/dbraw/zinc/28/18/78/887281878.db2.gz CZZFTIQPLODQFT-VHSXEESVSA-N 0 3 282.348 -1.103 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1)N[C@@H]1CCCNC1=O ZINC001366258440 887282262 /nfs/dbraw/zinc/28/22/62/887282262.db2.gz FGKOYQPXSZKMPQ-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001366269013 887282664 /nfs/dbraw/zinc/28/26/64/887282664.db2.gz MGNHLKJPOWRQBZ-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN1CCOCC1 ZINC001366265233 887282830 /nfs/dbraw/zinc/28/28/30/887282830.db2.gz QAOMEGZFVDSFAC-JTQLQIEISA-N 0 3 272.349 -1.841 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1CCCO1)NCC(=O)NC(N)=O ZINC001366253929 887282882 /nfs/dbraw/zinc/28/28/82/887282882.db2.gz GQXKQJQAZPDXCH-BDAKNGLRSA-N 0 3 286.332 -1.155 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001366252547 887282982 /nfs/dbraw/zinc/28/29/82/887282982.db2.gz OBTAQKJFRFPWME-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001366251596 887283013 /nfs/dbraw/zinc/28/30/13/887283013.db2.gz WSMMRAJMWYCLNH-QMMMGPOBSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(=O)N1CCC1 ZINC001366282622 887283825 /nfs/dbraw/zinc/28/38/25/887283825.db2.gz OFSCVNXNNFVIHM-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1=O)N[C@@H](C)C(N)=O ZINC001366283993 887283888 /nfs/dbraw/zinc/28/38/88/887283888.db2.gz TYBMTJTYHZPLTO-BDAKNGLRSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@@H](CNC(=O)c1ncc[nH]1)NCC(=O)N1CCOCC1 ZINC001366278603 887284212 /nfs/dbraw/zinc/28/42/12/887284212.db2.gz WMYCGXXBDONXTO-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001366280131 887284736 /nfs/dbraw/zinc/28/47/36/887284736.db2.gz XBPJISQHXGPRAN-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1=O)N[C@H]1CCNC1=O ZINC001366280667 887284554 /nfs/dbraw/zinc/28/45/54/887284554.db2.gz KCJRTGCTLDHVEX-UWVGGRQHSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N[C@@H]1CCNC1=O ZINC001366285475 887284970 /nfs/dbraw/zinc/28/49/70/887284970.db2.gz XLNZEYWZBHJEHZ-DTWKUNHWSA-N 0 3 293.327 -1.128 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1=O)N[C@H]1CCNC1=O ZINC001366280671 887285514 /nfs/dbraw/zinc/28/55/14/887285514.db2.gz KCJRTGCTLDHVEX-ZJUUUORDSA-N 0 3 298.343 -2.172 20 0 CAADHN COc1cc(OC)nc(C(=O)NC[C@H](C)NCC(N)=O)n1 ZINC001366292806 887285623 /nfs/dbraw/zinc/28/56/23/887285623.db2.gz IQNRCXIBYMYNEP-ZETCQYMHSA-N 0 3 297.315 -1.313 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CNC(=O)NC)C(N)=O ZINC001366291241 887285906 /nfs/dbraw/zinc/28/59/06/887285906.db2.gz YYLHABPOWRHWGK-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)N[C@H]1CCN(C)C1=O ZINC001366270978 887286312 /nfs/dbraw/zinc/28/63/12/887286312.db2.gz CXDRXITWDHXKNS-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCCC1=O)N[C@@H]1CCNC1=O ZINC001366294286 887286344 /nfs/dbraw/zinc/28/63/44/887286344.db2.gz FWFVQNPBSJBAJH-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CNC(=O)Cc1ccn(C)n1)N[C@H]1CCNC1=O ZINC001366277535 887286523 /nfs/dbraw/zinc/28/65/23/887286523.db2.gz RAIZNKDUSHMUIK-KOLCDFICSA-N 0 3 279.344 -1.055 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN(C)C(=O)COC ZINC001366280361 887287285 /nfs/dbraw/zinc/28/72/85/887287285.db2.gz JLJUQNCHKPVKMR-VIFPVBQESA-N 0 3 288.348 -2.069 20 0 CAADHN C[C@@H](CNC(=O)CCN1CCOCC1)NCC(N)=O ZINC001366346192 887288226 /nfs/dbraw/zinc/28/82/26/887288226.db2.gz NUNYCUGSQBHIRK-JTQLQIEISA-N 0 3 272.349 -1.712 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)NCC1CC1 ZINC001366330485 887288262 /nfs/dbraw/zinc/28/82/62/887288262.db2.gz UJBKJCAHJISGFX-GDPRMGEGSA-N 0 3 296.371 -1.272 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@H](C)NC/C=C\Cl ZINC001366304568 887288308 /nfs/dbraw/zinc/28/83/08/887288308.db2.gz KMTXKTSZKAZGHO-VEMNSZJBSA-N 0 3 298.796 -1.113 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1coc(C(N)=O)c1 ZINC001366309582 887288648 /nfs/dbraw/zinc/28/86/48/887288648.db2.gz OBFBXBGMUMOWCN-SSDOTTSWSA-N 0 3 282.300 -1.168 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC ZINC001366314200 887288978 /nfs/dbraw/zinc/28/89/78/887288978.db2.gz WWZLLGMJHCXORF-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(=O)NC(N)=O ZINC001366315785 887289098 /nfs/dbraw/zinc/28/90/98/887289098.db2.gz BDWWHHACQGVHKF-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1coc(C(N)=O)c1 ZINC001366309583 887289360 /nfs/dbraw/zinc/28/93/60/887289360.db2.gz OBFBXBGMUMOWCN-ZETCQYMHSA-N 0 3 282.300 -1.168 20 0 CAADHN CCN(CC)C(=O)CN[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001366316710 887289800 /nfs/dbraw/zinc/28/98/00/887289800.db2.gz KMMKDFUTDHQNGB-SECBINFHSA-N 0 3 297.363 -1.214 20 0 CAADHN C[C@H](CNC(=O)[C@@H](C)CC(N)=O)NCC(=O)NC1CC1 ZINC001366310806 887289866 /nfs/dbraw/zinc/28/98/66/887289866.db2.gz MANSGCXVRSRHQE-DTWKUNHWSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](CNC(=O)CCN1CCOCC1)NCC(N)=O ZINC001366346193 887290391 /nfs/dbraw/zinc/29/03/91/887290391.db2.gz NUNYCUGSQBHIRK-SNVBAGLBSA-N 0 3 272.349 -1.712 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)NCC(N)=O ZINC001366336558 887290833 /nfs/dbraw/zinc/29/08/33/887290833.db2.gz JZIMGUPKVGGVNK-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](CNC(=O)[C@@]1(F)CCOC1)NCC(=O)NC(N)=O ZINC001366319806 887290868 /nfs/dbraw/zinc/29/08/68/887290868.db2.gz FYEHJXZBGRKCOX-WRWORJQWSA-N 0 3 290.295 -1.596 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001366309333 887291557 /nfs/dbraw/zinc/29/15/57/887291557.db2.gz UNEHFFDUYHVLBP-VHSXEESVSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)N[C@H](C)C(N)=O ZINC001366310064 887291986 /nfs/dbraw/zinc/29/19/86/887291986.db2.gz PHYDZXXZVYTQIC-NXEZZACHSA-N 0 3 299.375 -2.272 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001366309328 887292511 /nfs/dbraw/zinc/29/25/11/887292511.db2.gz UNEHFFDUYHVLBP-NXEZZACHSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)CC(N)=O)NCC(=O)NC1CC1 ZINC001366310810 887292599 /nfs/dbraw/zinc/29/25/99/887292599.db2.gz MANSGCXVRSRHQE-RKDXNWHRSA-N 0 3 284.360 -1.129 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001366375457 887293361 /nfs/dbraw/zinc/29/33/61/887293361.db2.gz STCRPRHIPXTYEU-BDAKNGLRSA-N 0 3 284.316 -1.592 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2cncn2)C1)C(=O)N(C)C ZINC001366387720 887293573 /nfs/dbraw/zinc/29/35/73/887293573.db2.gz ILSGAUWXBZUSNX-MNOVXSKESA-N 0 3 294.359 -1.055 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)Cn2ncnn2)C1)NC1CC1 ZINC001366379311 887293613 /nfs/dbraw/zinc/29/36/13/887293613.db2.gz PGZHDTJSXNIHJF-JTQLQIEISA-N 0 3 293.331 -1.858 20 0 CAADHN C[C@@H](CNC(=O)COC[C@H]1CCCO1)NCC(N)=O ZINC001366362567 887294195 /nfs/dbraw/zinc/29/41/95/887294195.db2.gz DPDLILBNZJGYAD-VHSXEESVSA-N 0 3 273.333 -1.238 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001366383051 887295006 /nfs/dbraw/zinc/29/50/06/887295006.db2.gz RKFQMTCFYJAELQ-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)n1 ZINC001366381163 887295037 /nfs/dbraw/zinc/29/50/37/887295037.db2.gz NBRULBICPNAPRU-ZETCQYMHSA-N 0 3 295.303 -2.186 20 0 CAADHN CCCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001366391906 887295422 /nfs/dbraw/zinc/29/54/22/887295422.db2.gz UHUJNMDHEGIEKN-VHSXEESVSA-N 0 3 299.375 -1.111 20 0 CAADHN Cc1nn(CC(=O)NC[C@H](C)NCC(N)=O)c(=O)n1C ZINC001366357685 887295455 /nfs/dbraw/zinc/29/54/55/887295455.db2.gz OJCWATJENRMWIK-ZETCQYMHSA-N 0 3 284.320 -2.530 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N[C@H]1CCN(C)C1=O ZINC001366373081 887295670 /nfs/dbraw/zinc/29/56/70/887295670.db2.gz PJQSPKCCTAFQAM-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001366386057 887295701 /nfs/dbraw/zinc/29/57/01/887295701.db2.gz NVTJIJOTISXEQJ-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2cnnn2)C1)C(=O)N(C)C ZINC001366369721 887295733 /nfs/dbraw/zinc/29/57/33/887295733.db2.gz LWWHXEIETDAFMV-ZJUUUORDSA-N 0 3 295.347 -1.660 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001366375482 887295889 /nfs/dbraw/zinc/29/58/89/887295889.db2.gz MSKRHRXVOBZCSH-APPZFPTMSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2cncn2)C1)C(=O)N(C)C ZINC001366387738 887295923 /nfs/dbraw/zinc/29/59/23/887295923.db2.gz ILSGAUWXBZUSNX-QWRGUYRKSA-N 0 3 294.359 -1.055 20 0 CAADHN C[C@H](CNC(=O)COC[C@@H]1CCCO1)NCC(N)=O ZINC001366362570 887296022 /nfs/dbraw/zinc/29/60/22/887296022.db2.gz DPDLILBNZJGYAD-ZJUUUORDSA-N 0 3 273.333 -1.238 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)Cn2cncn2)n[nH]1 ZINC001366370119 887296143 /nfs/dbraw/zinc/29/61/43/887296143.db2.gz OWRFJTAJYLCWSH-MRVPVSSYSA-N 0 3 278.320 -1.001 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001366378505 887296430 /nfs/dbraw/zinc/29/64/30/887296430.db2.gz CJRWRYCXLAGXDZ-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CS(=O)(=O)CC)C(N)=O ZINC001366364287 887297341 /nfs/dbraw/zinc/29/73/41/887297341.db2.gz IDMSEUNPVGQBLX-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CCNC(N)=O ZINC001366366653 887297011 /nfs/dbraw/zinc/29/70/11/887297011.db2.gz DLPCVGWKEGWSTR-MRVPVSSYSA-N 0 3 273.337 -1.725 20 0 CAADHN Cc1nc(C)c(CC(=O)NC[C@H](C)NCC(N)=O)c(=O)[nH]1 ZINC001366359900 887297272 /nfs/dbraw/zinc/29/72/72/887297272.db2.gz SPJCJESXHXTBKI-ZETCQYMHSA-N 0 3 295.343 -1.079 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001366371580 887297617 /nfs/dbraw/zinc/29/76/17/887297617.db2.gz YMUPRWKNTKGJAD-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001366373274 887297665 /nfs/dbraw/zinc/29/76/65/887297665.db2.gz MOIGLUQZQHKSRU-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N[C@@H]1CCN(C)C1=O ZINC001366373552 887297713 /nfs/dbraw/zinc/29/77/13/887297713.db2.gz PJQSPKCCTAFQAM-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](C(=O)NC(N)=O)N(C)CCNC(=O)[C@H]1CCCN1C ZINC001366520870 887302395 /nfs/dbraw/zinc/30/23/95/887302395.db2.gz SOFKOVBYBHGKSQ-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](C(=O)NC(N)=O)N(C)CCNC(=O)[C@H]1CCCN1C ZINC001366520862 887302657 /nfs/dbraw/zinc/30/26/57/887302657.db2.gz SOFKOVBYBHGKSQ-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001366518117 887303274 /nfs/dbraw/zinc/30/32/74/887303274.db2.gz BNHPCVBLUAYRSU-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001366518112 887304840 /nfs/dbraw/zinc/30/48/40/887304840.db2.gz BNHPCVBLUAYRSU-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@H](C(=O)NC(N)=O)N(C)CCNC(=O)[C@@H]1CCCN1C ZINC001366520874 887305602 /nfs/dbraw/zinc/30/56/02/887305602.db2.gz SOFKOVBYBHGKSQ-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H](C)NC(N)=O ZINC001366525554 887307514 /nfs/dbraw/zinc/30/75/14/887307514.db2.gz HULIUAWFNXFDAN-DTWKUNHWSA-N 0 3 276.337 -1.902 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCNC(=O)Cc1n[nH]c(C)n1 ZINC001366529353 887309065 /nfs/dbraw/zinc/30/90/65/887309065.db2.gz JUTMXTQDWXEGAS-SECBINFHSA-N 0 3 282.348 -1.032 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001366566746 887313582 /nfs/dbraw/zinc/31/35/82/887313582.db2.gz PKCSAOALXWFHGJ-KXUCPTDWSA-N 0 3 273.333 -1.552 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001366566572 887314907 /nfs/dbraw/zinc/31/49/07/887314907.db2.gz TZJAFWJZDDFMJE-IUCAKERBSA-N 0 3 274.321 -2.277 20 0 CAADHN CN(CCNC(=O)CCc1cnn[nH]1)[C@H]1CCNC1=O ZINC001366568627 887315825 /nfs/dbraw/zinc/31/58/25/887315825.db2.gz UMZCSNHMZBDBJO-JTQLQIEISA-N 0 3 280.332 -1.326 20 0 CAADHN CN(CCNC(=O)c1nnc[nH]1)CCNC(=O)C1CC1 ZINC001366574517 887316166 /nfs/dbraw/zinc/31/61/66/887316166.db2.gz KWFCKEKUDZIXHW-UHFFFAOYSA-N 0 3 280.332 -1.008 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001366566752 887316753 /nfs/dbraw/zinc/31/67/53/887316753.db2.gz PKCSAOALXWFHGJ-LPEHRKFASA-N 0 3 273.333 -1.552 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001366565396 887317415 /nfs/dbraw/zinc/31/74/15/887317415.db2.gz WZRLXPLYFJFIGV-SECBINFHSA-N 0 3 284.316 -1.561 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001366571508 887317204 /nfs/dbraw/zinc/31/72/04/887317204.db2.gz AUKMCOSVSKANMJ-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CCn1cc(C(=O)NCCN(C)C[C@@H](O)COC)nn1 ZINC001366580636 887317622 /nfs/dbraw/zinc/31/76/22/887317622.db2.gz WAXXVJOQQPRCKZ-SNVBAGLBSA-N 0 3 285.348 -1.033 20 0 CAADHN CN(CCCO)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001366596492 887319767 /nfs/dbraw/zinc/31/97/67/887319767.db2.gz QMMASUWQFYKWSQ-JTQLQIEISA-N 0 3 272.349 -1.040 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001366592058 887321805 /nfs/dbraw/zinc/32/18/05/887321805.db2.gz MNUOPWSVXPFUTE-SNVBAGLBSA-N 0 3 298.343 -1.551 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001366594293 887324299 /nfs/dbraw/zinc/32/42/99/887324299.db2.gz XABFYXVVVXQCNL-QMMMGPOBSA-N 0 3 284.316 -1.472 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001366778429 887333351 /nfs/dbraw/zinc/33/33/51/887333351.db2.gz PQUFEZKXZGXOAH-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001366776736 887333867 /nfs/dbraw/zinc/33/38/67/887333867.db2.gz PVUJGAKAFXNSPU-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN Cc1nc(C(=O)N(C)CCN[C@@H](C)C(N)=O)c(=O)[nH]c1C ZINC001366767983 887333920 /nfs/dbraw/zinc/33/39/20/887333920.db2.gz MFMMXKLTZFNGSA-VIFPVBQESA-N 0 3 295.343 -1.078 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001366775056 887333943 /nfs/dbraw/zinc/33/39/43/887333943.db2.gz LXNKFKKBJBGLNN-SECBINFHSA-N 0 3 293.327 -1.336 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1CCCC(=O)N1)C(N)=O ZINC001366768479 887334013 /nfs/dbraw/zinc/33/40/13/887334013.db2.gz NUTNOULGKSQYKY-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001366778892 887334430 /nfs/dbraw/zinc/33/44/30/887334430.db2.gz VXMJLSNHPFEGND-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)NC1CC1 ZINC001366773903 887334575 /nfs/dbraw/zinc/33/45/75/887334575.db2.gz CGAKNBYFAZZJMP-KOLCDFICSA-N 0 3 296.371 -1.020 20 0 CAADHN CCN1C[C@H](C(=O)N(C)CCN[C@@H]2CCNC2=O)CC1=O ZINC001366773803 887334756 /nfs/dbraw/zinc/33/47/56/887334756.db2.gz VBQWATGBQIWHTQ-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN O=C(CN1CCOCC1=O)NCCN(CCO)C1CC1 ZINC001366747173 887334952 /nfs/dbraw/zinc/33/49/52/887334952.db2.gz XOAWFWMGXBXYPY-UHFFFAOYSA-N 0 3 285.344 -1.582 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001366776740 887335265 /nfs/dbraw/zinc/33/52/65/887335265.db2.gz PVUJGAKAFXNSPU-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001366760009 887335703 /nfs/dbraw/zinc/33/57/03/887335703.db2.gz IBLNRHRVPDCIJZ-MNOVXSKESA-N 0 3 284.360 -1.747 20 0 CAADHN CCN1C[C@@H](C(=O)N(C)CCN[C@@H](C)C(N)=O)CC1=O ZINC001366769966 887335732 /nfs/dbraw/zinc/33/57/32/887335732.db2.gz MMJOEASZFLSKEY-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001366772051 887336070 /nfs/dbraw/zinc/33/60/70/887336070.db2.gz FAABOWSDSJDEDV-VWYCJHECSA-N 0 3 296.371 -1.223 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001366765609 887336431 /nfs/dbraw/zinc/33/64/31/887336431.db2.gz TXYBMLHTWCJMCV-NWDGAFQWSA-N 0 3 298.387 -1.404 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001366765610 887336757 /nfs/dbraw/zinc/33/67/57/887336757.db2.gz TXYBMLHTWCJMCV-RYUDHWBXSA-N 0 3 298.387 -1.404 20 0 CAADHN CCN1C[C@@H](C(=O)N(C)CCN[C@@H]2CCNC2=O)CC1=O ZINC001366773814 887336915 /nfs/dbraw/zinc/33/69/15/887336915.db2.gz VBQWATGBQIWHTQ-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC(=O)N1C ZINC001366778445 887337484 /nfs/dbraw/zinc/33/74/84/887337484.db2.gz PQUFEZKXZGXOAH-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CN(C)CCO1)C(N)=O ZINC001366766144 887337606 /nfs/dbraw/zinc/33/76/06/887337606.db2.gz VNCBEGPPCNSZDL-VHSXEESVSA-N 0 3 272.349 -1.761 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001366758727 887337672 /nfs/dbraw/zinc/33/76/72/887337672.db2.gz DRLXWJXNBRQAGE-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)CCNC(N)=O)C1 ZINC001366858201 887338736 /nfs/dbraw/zinc/33/87/36/887338736.db2.gz RVMNPVIYZHCEAC-ZJUUUORDSA-N 0 3 299.375 -1.253 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001366887631 887340434 /nfs/dbraw/zinc/34/04/34/887340434.db2.gz DAQWXBBIZVXWKA-GRYCIOLGSA-N 0 3 299.371 -1.147 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@]1(C)CCNC(=O)C1)C(N)=O ZINC001366838916 887340653 /nfs/dbraw/zinc/34/06/53/887340653.db2.gz ZFPIXQSAFWKWFX-NOZJJQNGSA-N 0 3 284.360 -1.176 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001366895264 887340732 /nfs/dbraw/zinc/34/07/32/887340732.db2.gz QRCYCDVWYIKZRX-KKOKHZNYSA-N 0 3 299.371 -1.304 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001366818481 887340952 /nfs/dbraw/zinc/34/09/52/887340952.db2.gz LVVHVWQXKRLIIA-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001366818484 887341671 /nfs/dbraw/zinc/34/16/71/887341671.db2.gz LVVHVWQXKRLIIA-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001366835037 887342611 /nfs/dbraw/zinc/34/26/11/887342611.db2.gz VIRTYCLJVBNPPL-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN CC(C)[C@H](C(=O)NC1CN(CC(=O)NC(N)=O)C1)N(C)C ZINC001366944527 887347025 /nfs/dbraw/zinc/34/70/25/887347025.db2.gz JVHQYJDHXYBOPI-LLVKDONJSA-N 0 3 299.375 -1.432 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001366960937 887350479 /nfs/dbraw/zinc/35/04/79/887350479.db2.gz GRFQIQPMJLVWAT-CMPLNLGQSA-N 0 3 297.359 -1.106 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)Cn2ncnn2)C1 ZINC001366964774 887350666 /nfs/dbraw/zinc/35/06/66/887350666.db2.gz WVRIJPWWJWSUMD-SNVBAGLBSA-N 0 3 284.320 -2.272 20 0 CAADHN Cn1ncc(NC(=O)NCCN2CC[C@@H](O)C2)cc1=O ZINC001366955439 887350932 /nfs/dbraw/zinc/35/09/32/887350932.db2.gz YIUAKYOLRCLNMF-SNVBAGLBSA-N 0 3 281.316 -1.032 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)Cc2nnc(C)o2)C1 ZINC001366965851 887353253 /nfs/dbraw/zinc/35/32/53/887353253.db2.gz YMIWLOHYSOGODQ-NSHDSACASA-N 0 3 298.343 -1.024 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001366998101 887354444 /nfs/dbraw/zinc/35/44/44/887354444.db2.gz QUFBEVRJYLSVJK-UWVGGRQHSA-N 0 3 296.327 -1.006 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001366974930 887355330 /nfs/dbraw/zinc/35/53/30/887355330.db2.gz WASHEKUDYDADHC-SNVBAGLBSA-N 0 3 296.327 -1.561 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)Cn2cncn2)C1 ZINC001366988008 887356570 /nfs/dbraw/zinc/35/65/70/887356570.db2.gz FYYQMZNCODSXTL-NSHDSACASA-N 0 3 283.332 -1.667 20 0 CAADHN NS(=O)(=O)CCCC(=O)NCC1CN(CCCO)C1 ZINC001366972871 887356645 /nfs/dbraw/zinc/35/66/45/887356645.db2.gz FQQTWVHJTPLXGO-UHFFFAOYSA-N 0 3 293.389 -1.515 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001366998568 887357776 /nfs/dbraw/zinc/35/77/76/887357776.db2.gz VEADAIGCPUKYBI-QWRGUYRKSA-N 0 3 273.333 -1.680 20 0 CAADHN CCN1CC(CNC(=O)Cn2ncn3nccc3c2=O)C1 ZINC001366980995 887358125 /nfs/dbraw/zinc/35/81/25/887358125.db2.gz WSRSDBRGQRETJB-UHFFFAOYSA-N 0 3 290.327 -1.041 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)CNC(C)=O)C1 ZINC001366998570 887358171 /nfs/dbraw/zinc/35/81/71/887358171.db2.gz VEADAIGCPUKYBI-WDEREUQCSA-N 0 3 273.333 -1.680 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001366982191 887358238 /nfs/dbraw/zinc/35/82/38/887358238.db2.gz DCUWZLKENHLUTI-NWDGAFQWSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001367016038 887359506 /nfs/dbraw/zinc/35/95/06/887359506.db2.gz MDIOACKYEFXNJF-TUAOUCFPSA-N 0 3 290.360 -1.154 20 0 CAADHN NC(=O)NC(=O)CN1CC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001367032896 887359882 /nfs/dbraw/zinc/35/98/82/887359882.db2.gz FJXZFOCEMTZZQM-ZCFIWIBFSA-N 0 3 298.278 -1.452 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001367037027 887360549 /nfs/dbraw/zinc/36/05/49/887360549.db2.gz NAGVOZFRUDOPNY-NXEZZACHSA-N 0 3 288.348 -1.757 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H](COC)OC)C1 ZINC001367016036 887361429 /nfs/dbraw/zinc/36/14/29/887361429.db2.gz MDIOACKYEFXNJF-SRVKXCTJSA-N 0 3 290.360 -1.154 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001367018857 887361281 /nfs/dbraw/zinc/36/12/81/887361281.db2.gz QFNZHZDFGZQOGO-QWRGUYRKSA-N 0 3 298.347 -1.739 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001367033350 887361595 /nfs/dbraw/zinc/36/15/95/887361595.db2.gz PDSFWKNYAVCMOB-DBIOUOCHSA-N 0 3 285.344 -1.694 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001367023590 887362431 /nfs/dbraw/zinc/36/24/31/887362431.db2.gz NTFMSZLJXXNIIC-NXEZZACHSA-N 0 3 289.332 -1.460 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001367024594 887363866 /nfs/dbraw/zinc/36/38/66/887363866.db2.gz QMLXKCJXOMEVRE-NXEZZACHSA-N 0 3 284.320 -2.129 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)NCC(N)=O ZINC001367117898 887364864 /nfs/dbraw/zinc/36/48/64/887364864.db2.gz VHANGTYPUNOKBF-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN CN(C(=O)CCNS(C)(=O)=O)[C@@H]1CCN(CCO)C1 ZINC001367049854 887364929 /nfs/dbraw/zinc/36/49/29/887364929.db2.gz XTSMQEJIBWFUAM-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001367056276 887365031 /nfs/dbraw/zinc/36/50/31/887365031.db2.gz WDEATJLUUPGQDG-UWVGGRQHSA-N 0 3 283.332 -1.042 20 0 CAADHN CC[C@H](CNC(=O)CO[C@H]1CCOC1)NCC(N)=O ZINC001367098518 887365139 /nfs/dbraw/zinc/36/51/39/887365139.db2.gz FUCBIWJYLPZYGU-ZJUUUORDSA-N 0 3 273.333 -1.238 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)N[C@H]1CCNC1=O ZINC001367097893 887365902 /nfs/dbraw/zinc/36/59/02/887365902.db2.gz ARIPQFOYBIAWAY-IUCAKERBSA-N 0 3 285.348 -1.712 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)OC)N[C@@H](C)C(N)=O ZINC001367091281 887366123 /nfs/dbraw/zinc/36/61/23/887366123.db2.gz KMYPIAGQDDSRBQ-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)N(C)C ZINC001367092081 887366158 /nfs/dbraw/zinc/36/61/58/887366158.db2.gz VRDSGAVFESUJID-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)OC)N[C@H](C)C(N)=O ZINC001367091282 887366182 /nfs/dbraw/zinc/36/61/82/887366182.db2.gz KMYPIAGQDDSRBQ-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCOCC1)N[C@@H]1CCNC1=O ZINC001367106965 887366216 /nfs/dbraw/zinc/36/62/16/887366216.db2.gz XLZSFLZCROKMGW-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CNC(=O)N1 ZINC001367120107 887366405 /nfs/dbraw/zinc/36/64/05/887366405.db2.gz GPFSRGZTKFNZHZ-RKDXNWHRSA-N 0 3 285.348 -1.712 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)OC)N[C@H](C)C(N)=O ZINC001367091280 887366491 /nfs/dbraw/zinc/36/64/91/887366491.db2.gz KMYPIAGQDDSRBQ-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NC(C)C ZINC001367120312 887366736 /nfs/dbraw/zinc/36/67/36/887366736.db2.gz HLYWBKUCQVBJQH-ZJUUUORDSA-N 0 3 299.375 -1.323 20 0 CAADHN CC[C@H](CNC(=O)c1ncc[nH]1)NCC(=O)NC(=O)NC ZINC001367107030 887366827 /nfs/dbraw/zinc/36/68/27/887366827.db2.gz UWIROBODGDWGMA-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001367063863 887366872 /nfs/dbraw/zinc/36/68/72/887366872.db2.gz RKUUKODITFNGCC-NWDGAFQWSA-N 0 3 297.359 -1.182 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001367063631 887367021 /nfs/dbraw/zinc/36/70/21/887367021.db2.gz MTAJLEAAHORKKY-UTUOFQBUSA-N 0 3 299.371 -1.195 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCNC(=O)C1)NCCF ZINC001367108995 887367093 /nfs/dbraw/zinc/36/70/93/887367093.db2.gz BHNQPVMFLHCHNK-JTQLQIEISA-N 0 3 274.340 -1.128 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)N(C)C ZINC001367092074 887367241 /nfs/dbraw/zinc/36/72/41/887367241.db2.gz VRDSGAVFESUJID-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CCCNC(=O)CN[C@H](CC)CNC(=O)c1nnn(C)n1 ZINC001367116836 887367874 /nfs/dbraw/zinc/36/78/74/887367874.db2.gz QGCMHHZVAVTUIY-SECBINFHSA-N 0 3 297.363 -1.166 20 0 CAADHN CC[C@@H](CNC(=O)CCOC)NCC(=O)NC(=O)NC ZINC001367076823 887367968 /nfs/dbraw/zinc/36/79/68/887367968.db2.gz XXMAVZDYOBNHOB-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)N(C)CC ZINC001367081964 887368248 /nfs/dbraw/zinc/36/82/48/887368248.db2.gz FFSLCTHLZCJHKN-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)N[C@@H]1CCNC1=O ZINC001367097896 887368360 /nfs/dbraw/zinc/36/83/60/887368360.db2.gz ARIPQFOYBIAWAY-RKDXNWHRSA-N 0 3 285.348 -1.712 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CS(C)(=O)=O ZINC001367353441 887375744 /nfs/dbraw/zinc/37/57/44/887375744.db2.gz VVUWBMBEABLJOK-BDAKNGLRSA-N 0 3 293.389 -1.398 20 0 CAADHN CO[C@H](C)C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001367344892 887376504 /nfs/dbraw/zinc/37/65/04/887376504.db2.gz LPTWGMDKWRLFAS-HTQZYQBOSA-N 0 3 274.321 -1.347 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)Cn1cnnn1 ZINC001367351118 887376657 /nfs/dbraw/zinc/37/66/57/887376657.db2.gz XKXLHQDZOMLABO-SECBINFHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)N(C)C(=O)Cn1ncnn1 ZINC001367349417 887377681 /nfs/dbraw/zinc/37/76/81/887377681.db2.gz IIXMGZDZWKOWDK-NXEZZACHSA-N 0 3 297.363 -1.414 20 0 CAADHN CCOCC(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001367347210 887377713 /nfs/dbraw/zinc/37/77/13/887377713.db2.gz WUCDENAJSWFIBJ-MRVPVSSYSA-N 0 3 274.321 -1.346 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C)NC(N)=O ZINC001367347928 887378417 /nfs/dbraw/zinc/37/84/17/887378417.db2.gz YUSGXYFGKGVRAI-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN CCOCC(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001367347214 887378617 /nfs/dbraw/zinc/37/86/17/887378617.db2.gz WUCDENAJSWFIBJ-QMMMGPOBSA-N 0 3 274.321 -1.346 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)Cn1ncnn1 ZINC001367349431 887378634 /nfs/dbraw/zinc/37/86/34/887378634.db2.gz IIXMGZDZWKOWDK-ZJUUUORDSA-N 0 3 297.363 -1.414 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccn2nnnc2c1 ZINC001367384786 887379515 /nfs/dbraw/zinc/37/95/15/887379515.db2.gz RDCGDYDYSYLWKP-MRVPVSSYSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001367389569 887379803 /nfs/dbraw/zinc/37/98/03/887379803.db2.gz ZDLAEWFFOBCMLE-BBBLOLIVSA-N 0 3 284.360 -1.368 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cccc(=O)n1C ZINC001367389806 887380157 /nfs/dbraw/zinc/38/01/57/887380157.db2.gz ZBYNPMMPRBHLHQ-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@H](C)CNCC(=O)NC ZINC001367356446 887380605 /nfs/dbraw/zinc/38/06/05/887380605.db2.gz KTFPCKHBQYSXBC-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)Cn1cncn1 ZINC001367423743 887380732 /nfs/dbraw/zinc/38/07/32/887380732.db2.gz KSQYDLYPEBRLMV-SNVBAGLBSA-N 0 3 282.348 -1.116 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C(C)C ZINC001367579141 887397890 /nfs/dbraw/zinc/39/78/90/887397890.db2.gz VALPAIKBEGXJQU-MRVPVSSYSA-N 0 3 274.321 -1.835 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001367378451 887380881 /nfs/dbraw/zinc/38/08/81/887380881.db2.gz SFVWYCCSHGYQBC-VHSXEESVSA-N 0 3 299.375 -1.371 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CCCC(N)=O ZINC001367404635 887380915 /nfs/dbraw/zinc/38/09/15/887380915.db2.gz GBKWTGNOEWJAGI-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C(C)C ZINC001367476309 887381009 /nfs/dbraw/zinc/38/10/09/887381009.db2.gz AQXJPTURBAMHDX-VWYCJHECSA-N 0 3 298.387 -1.026 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ccon1 ZINC001367353835 887381247 /nfs/dbraw/zinc/38/12/47/887381247.db2.gz YMMASHIWYHJZKE-SSDOTTSWSA-N 0 3 283.288 -1.080 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CN1CCCNC1=O ZINC001367362218 887381517 /nfs/dbraw/zinc/38/15/17/887381517.db2.gz JJJIUCQNEBGWOB-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001367378452 887381688 /nfs/dbraw/zinc/38/16/88/887381688.db2.gz SFVWYCCSHGYQBC-ZJUUUORDSA-N 0 3 299.375 -1.371 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)CNC(=O)NC ZINC001367358939 887381872 /nfs/dbraw/zinc/38/18/72/887381872.db2.gz NJAOCYHVHCMWBW-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001367355479 887382151 /nfs/dbraw/zinc/38/21/51/887382151.db2.gz MRBIJSWAEASZMK-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1COC(=O)N1)NCC(N)=O ZINC001367466690 887382437 /nfs/dbraw/zinc/38/24/37/887382437.db2.gz RQNWPKMSAXSTRQ-JGVFFNPUSA-N 0 3 272.305 -1.690 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1nc2ncccn2n1 ZINC001367393112 887382635 /nfs/dbraw/zinc/38/26/35/887382635.db2.gz RTCSDBKAWDNTIY-QMMMGPOBSA-N 0 3 291.315 -1.340 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CCn1cnnn1 ZINC001367399145 887383032 /nfs/dbraw/zinc/38/30/32/887383032.db2.gz RLHMBNGJROPXKQ-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1nnn(C)n1)C(C)C ZINC001367488906 887384602 /nfs/dbraw/zinc/38/46/02/887384602.db2.gz VKAYVTBQJGTODU-QMMMGPOBSA-N 0 3 283.336 -1.700 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001367560569 887386138 /nfs/dbraw/zinc/38/61/38/887386138.db2.gz AWRHUSXQOJDSRH-UWVGGRQHSA-N 0 3 286.332 -2.580 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)Cn1cncn1 ZINC001367551520 887386760 /nfs/dbraw/zinc/38/67/60/887386760.db2.gz JTJDTPOTQGVYGB-NSHDSACASA-N 0 3 285.348 -1.324 20 0 CAADHN CN(CCN(C)C(=O)Cn1ncnn1)CCn1cccn1 ZINC001367513907 887386905 /nfs/dbraw/zinc/38/69/05/887386905.db2.gz CTCPAZWYURCZPO-UHFFFAOYSA-N 0 3 292.347 -1.040 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)NCC(F)(F)F ZINC001367559206 887387484 /nfs/dbraw/zinc/38/74/84/887387484.db2.gz FNEZHZKBXUALOV-ZETCQYMHSA-N 0 3 271.239 -1.249 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C1CC1 ZINC001367564505 887389466 /nfs/dbraw/zinc/38/94/66/887389466.db2.gz NTOYSLNTVJVVOG-VIFPVBQESA-N 0 3 286.332 -1.691 20 0 CAADHN CN1CCC[C@@H](NC[C@@H](O)CNC(=O)C(F)F)C1=O ZINC001367561286 887389710 /nfs/dbraw/zinc/38/97/10/887389710.db2.gz LHMGGCBSGYQUTC-HTQZYQBOSA-N 0 3 279.287 -1.061 20 0 CAADHN Cc1nnsc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001367561262 887390195 /nfs/dbraw/zinc/39/01/95/887390195.db2.gz AOCKIRYRKZNGFL-SFYZADRCSA-N 0 3 299.356 -1.585 20 0 CAADHN Cc1nnsc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001367561260 887390357 /nfs/dbraw/zinc/39/03/57/887390357.db2.gz AOCKIRYRKZNGFL-HTQZYQBOSA-N 0 3 299.356 -1.585 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cncnc1C ZINC001367564262 887390389 /nfs/dbraw/zinc/39/03/89/887390389.db2.gz GPMXRZUMVUOKLK-UWVGGRQHSA-N 0 3 295.343 -1.400 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cnccn1 ZINC001367562528 887390426 /nfs/dbraw/zinc/39/04/26/887390426.db2.gz FJVVCZLHCYMFCB-RKDXNWHRSA-N 0 3 279.300 -1.955 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001367560579 887390497 /nfs/dbraw/zinc/39/04/97/887390497.db2.gz AWRHUSXQOJDSRH-ZJUUUORDSA-N 0 3 286.332 -2.580 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnc(C)cn1)C(N)=O ZINC001367566300 887390664 /nfs/dbraw/zinc/39/06/64/887390664.db2.gz DMRQCCMEXLWYAH-NXEZZACHSA-N 0 3 295.343 -1.271 20 0 CAADHN CCO[C@H](C)C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001367568875 887390697 /nfs/dbraw/zinc/39/06/97/887390697.db2.gz OZACSVVYIIOCAL-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cncnc1C ZINC001367564257 887390748 /nfs/dbraw/zinc/39/07/48/887390748.db2.gz GPMXRZUMVUOKLK-NXEZZACHSA-N 0 3 295.343 -1.400 20 0 CAADHN CN1CCC[C@H](NC[C@H](O)CNC(=O)C(F)F)C1=O ZINC001367561289 887390941 /nfs/dbraw/zinc/39/09/41/887390941.db2.gz LHMGGCBSGYQUTC-YUMQZZPRSA-N 0 3 279.287 -1.061 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)COCC2CC2)C1=O ZINC001367565442 887391280 /nfs/dbraw/zinc/39/12/80/887391280.db2.gz IUNAJCMFFWRPMK-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccon1)NC1CC1 ZINC001367567261 887391503 /nfs/dbraw/zinc/39/15/03/887391503.db2.gz MGASCMAGJXFCLT-VIFPVBQESA-N 0 3 282.300 -1.367 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnc(C)cn1)C(N)=O ZINC001367566307 887391719 /nfs/dbraw/zinc/39/17/19/887391719.db2.gz DMRQCCMEXLWYAH-VHSXEESVSA-N 0 3 295.343 -1.271 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccon1 ZINC001367565785 887391806 /nfs/dbraw/zinc/39/18/06/887391806.db2.gz JDQNWUDCYYLLRI-YUMQZZPRSA-N 0 3 270.289 -1.511 20 0 CAADHN CCCC(=O)NC[C@H](O)CN[C@H](C)C(=O)NC(=O)NC ZINC001367560738 887392182 /nfs/dbraw/zinc/39/21/82/887392182.db2.gz BXXPXSLBOQIGAF-RKDXNWHRSA-N 0 3 288.348 -1.303 20 0 CAADHN CN1CCC[C@@H](NC[C@H](O)CNC(=O)C(F)F)C1=O ZINC001367561287 887392396 /nfs/dbraw/zinc/39/23/96/887392396.db2.gz LHMGGCBSGYQUTC-JGVFFNPUSA-N 0 3 279.287 -1.061 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCOC1)NCC1CC1 ZINC001367576593 887393690 /nfs/dbraw/zinc/39/36/90/887393690.db2.gz AMHITEAZKQGWOF-NEPJUHHUSA-N 0 3 299.371 -1.384 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CC1(O)CCC1 ZINC001367577042 887393959 /nfs/dbraw/zinc/39/39/59/887393959.db2.gz DOVYDBNXGWXBAP-NXEZZACHSA-N 0 3 287.360 -1.507 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccc(F)cn1 ZINC001367576686 887394019 /nfs/dbraw/zinc/39/40/19/887394019.db2.gz RAKSEDHRDGKVEV-SNVBAGLBSA-N 0 3 298.318 -1.011 20 0 CAADHN CCn1nccc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001367572789 887394668 /nfs/dbraw/zinc/39/46/68/887394668.db2.gz HRENGVVYRHDSOM-SNVBAGLBSA-N 0 3 297.359 -1.329 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001367575379 887394727 /nfs/dbraw/zinc/39/47/27/887394727.db2.gz QHQNNXYDOCZPCU-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CCC[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001367572606 887394754 /nfs/dbraw/zinc/39/47/54/887394754.db2.gz BEAYMNOTXOVRBM-BDAKNGLRSA-N 0 3 288.348 -1.316 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCCCO1 ZINC001367571982 887395067 /nfs/dbraw/zinc/39/50/67/887395067.db2.gz SCQMGUOGOJUERU-NXEZZACHSA-N 0 3 273.333 -1.502 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CC1(O)CCC1 ZINC001367577069 887395599 /nfs/dbraw/zinc/39/55/99/887395599.db2.gz DOVYDBNXGWXBAP-VHSXEESVSA-N 0 3 287.360 -1.507 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)CC(C)(C)O)n[nH]1 ZINC001367576470 887395711 /nfs/dbraw/zinc/39/57/11/887395711.db2.gz FLMYTYPOVAEQPN-SECBINFHSA-N 0 3 285.348 -1.159 20 0 CAADHN Cn1nncc1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001367573287 887396091 /nfs/dbraw/zinc/39/60/91/887396091.db2.gz APECZPNFDIPAMB-RKDXNWHRSA-N 0 3 296.331 -2.226 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CC1(O)CCC1 ZINC001367577055 887396124 /nfs/dbraw/zinc/39/61/24/887396124.db2.gz DOVYDBNXGWXBAP-UWVGGRQHSA-N 0 3 287.360 -1.507 20 0 CAADHN COC[C@@H](C)C(=O)NC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001367578622 887396232 /nfs/dbraw/zinc/39/62/32/887396232.db2.gz JKQBVRGZLSGEDZ-PSASIEDQSA-N 0 3 285.348 -1.038 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cn1cccn1)C(N)=O ZINC001367572715 887396728 /nfs/dbraw/zinc/39/67/28/887396728.db2.gz ZGFZOICLVHWULC-ZJUUUORDSA-N 0 3 283.332 -1.786 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001367575370 887396890 /nfs/dbraw/zinc/39/68/90/887396890.db2.gz QHQNNXYDOCZPCU-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1=CCOCC1)NC1CC1 ZINC001367570495 887396918 /nfs/dbraw/zinc/39/69/18/887396918.db2.gz AAFPTDXQYZJJPK-LBPRGKRZSA-N 0 3 297.355 -1.322 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CNCC(N)=O)on1 ZINC001367577730 887396963 /nfs/dbraw/zinc/39/69/63/887396963.db2.gz UOXBGGVXULVTTL-ZCFIWIBFSA-N 0 3 272.261 -2.151 20 0 CAADHN CCN(CC)C(=O)CNC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001367578381 887397072 /nfs/dbraw/zinc/39/70/72/887397072.db2.gz CGLZZNKYUPXSSC-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)CC(C)(C)O)C1=O ZINC001367578222 887397124 /nfs/dbraw/zinc/39/71/24/887397124.db2.gz HVQBXNCZEUJCJR-UWVGGRQHSA-N 0 3 287.360 -1.555 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCCCO1)N1CCC1 ZINC001367583835 887397697 /nfs/dbraw/zinc/39/76/97/887397697.db2.gz PCLBAGOBEANZNI-NWDGAFQWSA-N 0 3 299.371 -1.146 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cocn2)n[nH]1 ZINC001367582339 887398456 /nfs/dbraw/zinc/39/84/56/887398456.db2.gz OPMSAPMTPYXIMY-MRVPVSSYSA-N 0 3 280.288 -1.018 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cn1cc(C)cn1)C(N)=O ZINC001367581122 887398637 /nfs/dbraw/zinc/39/86/37/887398637.db2.gz GVMOJKXLSWWXSK-WDEREUQCSA-N 0 3 297.359 -1.478 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccnn1C)C(=O)N(C)C ZINC001367580859 887398678 /nfs/dbraw/zinc/39/86/78/887398678.db2.gz GFYTUQWMHOIHAK-VHSXEESVSA-N 0 3 297.359 -1.423 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cn2c(n1)CCCC2 ZINC001367581126 887399301 /nfs/dbraw/zinc/39/93/01/887399301.db2.gz LOWRWQDIAWRWPT-VIFPVBQESA-N 0 3 295.343 -1.615 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)CC1 ZINC001367584761 887399426 /nfs/dbraw/zinc/39/94/26/887399426.db2.gz FEBAKSBQEJCELQ-ZETCQYMHSA-N 0 3 272.305 -1.952 20 0 CAADHN COC[C@@H](C)C(=O)NC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001367578637 887399514 /nfs/dbraw/zinc/39/95/14/887399514.db2.gz JKQBVRGZLSGEDZ-SCZZXKLOSA-N 0 3 285.348 -1.038 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnnc(C)c1)C(N)=O ZINC001367581749 887399832 /nfs/dbraw/zinc/39/98/32/887399832.db2.gz MPMWSRNFKAKZOR-WDEREUQCSA-N 0 3 295.343 -1.271 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnnc(C)c1)C(N)=O ZINC001367581747 887399935 /nfs/dbraw/zinc/39/99/35/887399935.db2.gz MPMWSRNFKAKZOR-QWRGUYRKSA-N 0 3 295.343 -1.271 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1n[nH]cc1C ZINC001367580556 887400028 /nfs/dbraw/zinc/40/00/28/887400028.db2.gz LAUUGYWGDZANEK-VIFPVBQESA-N 0 3 283.332 -1.465 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1)N1CCC1 ZINC001367583474 887400212 /nfs/dbraw/zinc/40/02/12/887400212.db2.gz QPCBNDKOIMVHEM-VHSXEESVSA-N 0 3 298.343 -2.436 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cn1cc(C)cn1)C(N)=O ZINC001367581112 887400398 /nfs/dbraw/zinc/40/03/98/887400398.db2.gz GVMOJKXLSWWXSK-MNOVXSKESA-N 0 3 297.359 -1.478 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cn1cc(C)cn1)C(N)=O ZINC001367581091 887400574 /nfs/dbraw/zinc/40/05/74/887400574.db2.gz GVMOJKXLSWWXSK-GHMZBOCLSA-N 0 3 297.359 -1.478 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)[C@H]2COC(=O)N2)cn1 ZINC001367584638 887400608 /nfs/dbraw/zinc/40/06/08/887400608.db2.gz QFGJNXASKQGKQR-NXEZZACHSA-N 0 3 297.315 -1.905 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1COC(=O)C1 ZINC001367583670 887400660 /nfs/dbraw/zinc/40/06/60/887400660.db2.gz OGCASHPOFWSRJV-RKDXNWHRSA-N 0 3 287.316 -2.248 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(OC)ncn1 ZINC001367584737 887400770 /nfs/dbraw/zinc/40/07/70/887400770.db2.gz RUEDYMSEHNWVKV-QMMMGPOBSA-N 0 3 297.315 -2.089 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001367581288 887400936 /nfs/dbraw/zinc/40/09/36/887400936.db2.gz GZYGQCVNJSUFND-JGVFFNPUSA-N 0 3 295.361 -2.638 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)[C@H]2COC(=O)N2)cn1 ZINC001367584675 887400980 /nfs/dbraw/zinc/40/09/80/887400980.db2.gz QFGJNXASKQGKQR-VHSXEESVSA-N 0 3 297.315 -1.905 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)c1 ZINC001367586244 887402054 /nfs/dbraw/zinc/40/20/54/887402054.db2.gz RXRKFAIQUKCNPQ-ZJUUUORDSA-N 0 3 295.343 -1.669 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1=O ZINC001367590369 887402160 /nfs/dbraw/zinc/40/21/60/887402160.db2.gz WRNKXHZANGDSTH-BDAKNGLRSA-N 0 3 281.316 -1.679 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001367586899 887402270 /nfs/dbraw/zinc/40/22/70/887402270.db2.gz XEBFXCZRKAEWMQ-JTQLQIEISA-N 0 3 295.343 -1.369 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)c1 ZINC001367586234 887402618 /nfs/dbraw/zinc/40/26/18/887402618.db2.gz RXRKFAIQUKCNPQ-UWVGGRQHSA-N 0 3 295.343 -1.669 20 0 CAADHN Cc1[nH]nc(Cl)c1C(=O)NC[C@H](O)CNCC(N)=O ZINC001367589213 887402667 /nfs/dbraw/zinc/40/26/67/887402667.db2.gz ZLZHYRYLAPJXSN-ZCFIWIBFSA-N 0 3 289.723 -1.463 20 0 CAADHN Cn1nccc1CCC(=O)NC[C@H](O)CNCC(N)=O ZINC001367586373 887402731 /nfs/dbraw/zinc/40/27/31/887402731.db2.gz HZHNJUGTSPFJCF-SNVBAGLBSA-N 0 3 283.332 -2.095 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccncc1F ZINC001367586840 887402758 /nfs/dbraw/zinc/40/27/58/887402758.db2.gz POKAZIYKVJOKOY-SECBINFHSA-N 0 3 298.318 -1.011 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)Cc2cc[nH]n2)C1=O ZINC001367587649 887402805 /nfs/dbraw/zinc/40/28/05/887402805.db2.gz SERVMLOMAQHJEN-QWRGUYRKSA-N 0 3 295.343 -1.750 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001367585361 887402869 /nfs/dbraw/zinc/40/28/69/887402869.db2.gz MHVSORZYNDQZLT-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@@H](C)SC ZINC001367590263 887402973 /nfs/dbraw/zinc/40/29/73/887402973.db2.gz YZMZBFSGPMBJPE-BDAKNGLRSA-N 0 3 277.390 -1.059 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnc(C)s1 ZINC001367590200 887403085 /nfs/dbraw/zinc/40/30/85/887403085.db2.gz VGGSLWYLEIVAQA-MRVPVSSYSA-N 0 3 286.357 -1.122 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001367585291 887403153 /nfs/dbraw/zinc/40/31/53/887403153.db2.gz FKBRAQLITVIRBP-DTWKUNHWSA-N 0 3 286.332 -2.532 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)Cc2cc[nH]n2)C1=O ZINC001367587603 887403573 /nfs/dbraw/zinc/40/35/73/887403573.db2.gz SERVMLOMAQHJEN-GHMZBOCLSA-N 0 3 295.343 -1.750 20 0 CAADHN CC[C@H](C)CC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001367586431 887403794 /nfs/dbraw/zinc/40/37/94/887403794.db2.gz UDRJGSHROJDFME-IUCAKERBSA-N 0 3 288.348 -1.316 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2ncc[nH]2)C1=O ZINC001367590375 887403816 /nfs/dbraw/zinc/40/38/16/887403816.db2.gz WRNKXHZANGDSTH-IUCAKERBSA-N 0 3 281.316 -1.679 20 0 CAADHN Cc1ccn(C[C@@H](C)C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001367590314 887403867 /nfs/dbraw/zinc/40/38/67/887403867.db2.gz NRRHUSKMPKOGAI-MWLCHTKSSA-N 0 3 297.359 -1.620 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001367585358 887403908 /nfs/dbraw/zinc/40/39/08/887403908.db2.gz MHVSORZYNDQZLT-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ncoc1C ZINC001367588308 887404135 /nfs/dbraw/zinc/40/41/35/887404135.db2.gz QLTNLOXJLQOXOY-VIFPVBQESA-N 0 3 284.316 -1.201 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)[nH]n1 ZINC001367585331 887404236 /nfs/dbraw/zinc/40/42/36/887404236.db2.gz MDHZRBSYFJODFI-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001367586903 887404312 /nfs/dbraw/zinc/40/43/12/887404312.db2.gz XEBFXCZRKAEWMQ-SNVBAGLBSA-N 0 3 295.343 -1.369 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1ccnn1C ZINC001367589495 887404401 /nfs/dbraw/zinc/40/44/01/887404401.db2.gz UMZMFQHYOYFJRV-SNVBAGLBSA-N 0 3 297.359 -1.373 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ncn(C)n1)C(=O)N(C)C ZINC001367589858 887404414 /nfs/dbraw/zinc/40/44/14/887404414.db2.gz UZWUNIGTIGHWRX-RKDXNWHRSA-N 0 3 298.347 -2.028 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnc(C)n1C)C(N)=O ZINC001367602690 887405823 /nfs/dbraw/zinc/40/58/23/887405823.db2.gz QGOBCDHAXZIUJY-ZJUUUORDSA-N 0 3 297.359 -1.327 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cncs1 ZINC001367591836 887405849 /nfs/dbraw/zinc/40/58/49/887405849.db2.gz YUZIKIUGLQKSOX-JGVFFNPUSA-N 0 3 286.357 -1.042 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNCc1nnnn1C)N(C)C ZINC001367592136 887406192 /nfs/dbraw/zinc/40/61/92/887406192.db2.gz FJSJUOJZIOGVAE-NXEZZACHSA-N 0 3 299.379 -1.883 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc2ncccc2o1 ZINC001367600166 887406331 /nfs/dbraw/zinc/40/63/31/887406331.db2.gz LHPXWBIFOXJQFF-QMMMGPOBSA-N 0 3 292.295 -1.007 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cccc2ncnn21 ZINC001367603844 887406398 /nfs/dbraw/zinc/40/63/98/887406398.db2.gz IQMPAHYQOJXCDX-MRVPVSSYSA-N 0 3 292.299 -2.105 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cccc2ncnn21 ZINC001367603848 887406680 /nfs/dbraw/zinc/40/66/80/887406680.db2.gz IQMPAHYQOJXCDX-QMMMGPOBSA-N 0 3 292.299 -2.105 20 0 CAADHN Cn1ncc(CNC[C@H](O)CNC(=O)[C@H]2CCCN2C)n1 ZINC001367601558 887406726 /nfs/dbraw/zinc/40/67/26/887406726.db2.gz GRHKXXGKWUSIOU-NWDGAFQWSA-N 0 3 296.375 -1.524 20 0 CAADHN Cc1nn(C)cc1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001367595991 887406744 /nfs/dbraw/zinc/40/67/44/887406744.db2.gz XAQCIKGVISYCFW-JTQLQIEISA-N 0 3 283.332 -2.177 20 0 CAADHN CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001367602803 887406802 /nfs/dbraw/zinc/40/68/02/887406802.db2.gz PQOYUFMHFYTSKH-AEJSXWLSSA-N 0 3 273.333 -1.647 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001367597628 887407007 /nfs/dbraw/zinc/40/70/07/887407007.db2.gz BJVMROOAKIKRNA-SECBINFHSA-N 0 3 282.300 -1.744 20 0 CAADHN Cc1ccncc1CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001367593861 887407169 /nfs/dbraw/zinc/40/71/69/887407169.db2.gz LGYKCMZZLYDYMV-CMPLNLGQSA-N 0 3 294.355 -1.127 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1cnoc1 ZINC001367596718 887407198 /nfs/dbraw/zinc/40/71/98/887407198.db2.gz BABABPQAJCSPLS-JTQLQIEISA-N 0 3 284.316 -1.580 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001367599091 887407253 /nfs/dbraw/zinc/40/72/53/887407253.db2.gz JWLTZCKQFLQCQF-SNVBAGLBSA-N 0 3 296.327 -1.728 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CNCC(N)=O)cc1=O ZINC001367595857 887407322 /nfs/dbraw/zinc/40/73/22/887407322.db2.gz AVFGXVNHNIHCSX-SECBINFHSA-N 0 3 282.300 -2.449 20 0 CAADHN Cc1ccncc1CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001367593863 887407367 /nfs/dbraw/zinc/40/73/67/887407367.db2.gz LGYKCMZZLYDYMV-JQWIXIFHSA-N 0 3 294.355 -1.127 20 0 CAADHN Cc1cnc(C(=O)NC[C@@H](O)CNCC(N)=O)cc1C ZINC001367597905 887407375 /nfs/dbraw/zinc/40/73/75/887407375.db2.gz GTJNITQAVZBJMQ-JTQLQIEISA-N 0 3 280.328 -1.136 20 0 CAADHN O=C(C[C@H]1CCOC1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001367598857 887407383 /nfs/dbraw/zinc/40/73/83/887407383.db2.gz CVUDEAONLJTPSW-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccncc1Cl ZINC001367608576 887409010 /nfs/dbraw/zinc/40/90/10/887409010.db2.gz FJBIVKPLXPIXLL-SSDOTTSWSA-N 0 3 286.719 -1.099 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1ccncn1 ZINC001367613851 887408992 /nfs/dbraw/zinc/40/89/92/887408992.db2.gz MYSMITZGBWTRLF-JTQLQIEISA-N 0 3 295.343 -1.319 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cccnn2)n[nH]1 ZINC001367613830 887409234 /nfs/dbraw/zinc/40/92/34/887409234.db2.gz MVNZGTZNQGYWGU-SECBINFHSA-N 0 3 291.315 -1.216 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1csnn1 ZINC001367604736 887409272 /nfs/dbraw/zinc/40/92/72/887409272.db2.gz DGECUCJWTSPPBZ-SFYZADRCSA-N 0 3 299.356 -1.503 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cncn1C)C(N)=O ZINC001367612169 887409350 /nfs/dbraw/zinc/40/93/50/887409350.db2.gz ZARGUOPLGBPLSQ-RKDXNWHRSA-N 0 3 283.332 -1.636 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccnnc1)C(=O)N(C)C ZINC001367606015 887409403 /nfs/dbraw/zinc/40/94/03/887409403.db2.gz ABQPDSRFASKAIY-MWLCHTKSSA-N 0 3 295.343 -1.366 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1n[nH]cc1F)C(N)=O ZINC001367607617 887409419 /nfs/dbraw/zinc/40/94/19/887409419.db2.gz IHZLBZUYHNIPAS-RITPCOANSA-N 0 3 273.268 -1.897 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1c(C)cnn1C ZINC001367608756 887409721 /nfs/dbraw/zinc/40/97/21/887409721.db2.gz PUNNPCSKUTXBSW-SECBINFHSA-N 0 3 283.332 -1.845 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@H](O)CN[C@H](CC)C(N)=O ZINC001367610252 887409736 /nfs/dbraw/zinc/40/97/36/887409736.db2.gz SKDQRQZPDXQVKY-LDYMZIIASA-N 0 3 297.359 -1.084 20 0 CAADHN CCCn1cc(C(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001367614308 887409773 /nfs/dbraw/zinc/40/97/73/887409773.db2.gz CWCYYVUQJYHDRS-JTQLQIEISA-N 0 3 283.332 -1.541 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1cncn1C ZINC001367610524 887409868 /nfs/dbraw/zinc/40/98/68/887409868.db2.gz WYJQZJINMUCYEY-GXSJLCMTSA-N 0 3 297.359 -1.502 20 0 CAADHN CN1CCC[C@@H](NC[C@H](O)CNC(=O)c2cnco2)C1=O ZINC001367607517 887409913 /nfs/dbraw/zinc/40/99/13/887409913.db2.gz GWELEUFQJGPBTE-VHSXEESVSA-N 0 3 296.327 -1.024 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cncnc1C1CC1 ZINC001367613137 887409966 /nfs/dbraw/zinc/40/99/66/887409966.db2.gz BNGVPKFAQXPKIH-VIFPVBQESA-N 0 3 293.327 -1.480 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccnnc1)C(=O)N(C)C ZINC001367606003 887409995 /nfs/dbraw/zinc/40/99/95/887409995.db2.gz ABQPDSRFASKAIY-KOLCDFICSA-N 0 3 295.343 -1.366 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)CC1 ZINC001367606648 887410033 /nfs/dbraw/zinc/41/00/33/887410033.db2.gz YCJSUMWACPPMGZ-BDAKNGLRSA-N 0 3 273.333 -1.647 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccnnc1)C(=O)N(C)C ZINC001367606028 887410060 /nfs/dbraw/zinc/41/00/60/887410060.db2.gz ABQPDSRFASKAIY-ONGXEEELSA-N 0 3 295.343 -1.366 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)COC1CCCCC1 ZINC001367606322 887410063 /nfs/dbraw/zinc/41/00/63/887410063.db2.gz ZHZZRBOIVHETBR-SNVBAGLBSA-N 0 3 287.360 -1.112 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1cncn1C ZINC001367610525 887410078 /nfs/dbraw/zinc/41/00/78/887410078.db2.gz WYJQZJINMUCYEY-KOLCDFICSA-N 0 3 297.359 -1.502 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CN1CCCCC1=O ZINC001367603868 887410107 /nfs/dbraw/zinc/41/01/07/887410107.db2.gz IRUBMIUCHOAVNN-VIFPVBQESA-N 0 3 286.332 -2.449 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1cnccn1)C(N)=O ZINC001367615988 887411425 /nfs/dbraw/zinc/41/14/25/887411425.db2.gz GYVUKBKNXKXPHY-MWLCHTKSSA-N 0 3 295.343 -1.650 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1coc(C2CC2)n1 ZINC001367615871 887411570 /nfs/dbraw/zinc/41/15/70/887411570.db2.gz GFABDCKGSHHIAD-SECBINFHSA-N 0 3 296.327 -1.022 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001367625087 887411970 /nfs/dbraw/zinc/41/19/70/887411970.db2.gz DFZMMDBLKYUWLG-DTWKUNHWSA-N 0 3 297.315 -1.663 20 0 CAADHN CCc1c(C(=O)NC[C@H](O)CNCC(N)=O)ccn1C ZINC001367625364 887412328 /nfs/dbraw/zinc/41/23/28/887412328.db2.gz YNYSHTZVGWCDNB-SECBINFHSA-N 0 3 282.344 -1.247 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cn1cc(Cl)cn1 ZINC001367625326 887412545 /nfs/dbraw/zinc/41/25/45/887412545.db2.gz TXTOHXVFTZHKFY-MRVPVSSYSA-N 0 3 289.723 -1.912 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001367625095 887412577 /nfs/dbraw/zinc/41/25/77/887412577.db2.gz DFZMMDBLKYUWLG-IUCAKERBSA-N 0 3 297.315 -1.663 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001367624452 887412650 /nfs/dbraw/zinc/41/26/50/887412650.db2.gz AOGHVVBNLILTMD-UWVGGRQHSA-N 0 3 297.359 -1.125 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ocnc1C(F)F ZINC001367617084 887412800 /nfs/dbraw/zinc/41/28/00/887412800.db2.gz LAGPMQJRLHWROL-YFKPBYRVSA-N 0 3 292.242 -1.222 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001367623277 887413117 /nfs/dbraw/zinc/41/31/17/887413117.db2.gz IXWPUENIAIXIJC-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001367623740 887413339 /nfs/dbraw/zinc/41/33/39/887413339.db2.gz WDNDEHABWYIHBP-MXWKQRLJSA-N 0 3 295.343 -1.892 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CC[C@@H]1CCCCO1 ZINC001367623722 887413524 /nfs/dbraw/zinc/41/35/24/887413524.db2.gz QCVJIBHPRBNSPP-MNOVXSKESA-N 0 3 287.360 -1.112 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001367616413 887413370 /nfs/dbraw/zinc/41/33/70/887413370.db2.gz DGADWGXCXHOJIJ-VIFPVBQESA-N 0 3 296.331 -2.354 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001367621369 887413378 /nfs/dbraw/zinc/41/33/78/887413378.db2.gz VHKWQLWFHXRNFR-NSHDSACASA-N 0 3 292.343 -1.047 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001367618268 887413394 /nfs/dbraw/zinc/41/33/94/887413394.db2.gz YEOMOHFAYPDGMG-QMMMGPOBSA-N 0 3 285.304 -1.724 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C ZINC001367624444 887413428 /nfs/dbraw/zinc/41/34/28/887413428.db2.gz AOGHVVBNLILTMD-NXEZZACHSA-N 0 3 297.359 -1.125 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001367618265 887413434 /nfs/dbraw/zinc/41/34/34/887413434.db2.gz YEOMOHFAYPDGMG-MRVPVSSYSA-N 0 3 285.304 -1.724 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001367623279 887413497 /nfs/dbraw/zinc/41/34/97/887413497.db2.gz IXWPUENIAIXIJC-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cn(CC)nn1 ZINC001367623000 887413540 /nfs/dbraw/zinc/41/35/40/887413540.db2.gz XSYCLFZTFDESEV-SECBINFHSA-N 0 3 298.347 -1.886 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1nocc1C ZINC001367621003 887413575 /nfs/dbraw/zinc/41/35/75/887413575.db2.gz ORQOSTQUAFWWKE-DTWKUNHWSA-N 0 3 284.316 -1.202 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CNCC(N)=O)c(C)n1 ZINC001367645377 887414497 /nfs/dbraw/zinc/41/44/97/887414497.db2.gz ANPKXNODHPXFGV-VIFPVBQESA-N 0 3 281.316 -1.741 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1ccc[nH]1)C(N)=O ZINC001367633269 887415007 /nfs/dbraw/zinc/41/50/07/887415007.db2.gz XNNOJOFPKGNSQK-QWRGUYRKSA-N 0 3 282.344 -1.112 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CNCC(N)=O)c1C1CC1 ZINC001367629444 887415037 /nfs/dbraw/zinc/41/50/37/887415037.db2.gz MEXDLUNVLPTTPA-SECBINFHSA-N 0 3 295.343 -1.537 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](O)CNCC(=O)NC ZINC001367632111 887415060 /nfs/dbraw/zinc/41/50/60/887415060.db2.gz TXZYNDRAEZYEOA-QMMMGPOBSA-N 0 3 295.361 -2.766 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001367645858 887415273 /nfs/dbraw/zinc/41/52/73/887415273.db2.gz GKWSMKNHUCTWGO-DTWKUNHWSA-N 0 3 283.332 -2.006 20 0 CAADHN Cc1nccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001367631861 887415381 /nfs/dbraw/zinc/41/53/81/887415381.db2.gz QDZUAXGXXCYRTL-CBAPKCEASA-N 0 3 281.316 -1.661 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(N)=O)c(C)n1C ZINC001367630688 887415429 /nfs/dbraw/zinc/41/54/29/887415429.db2.gz KSVHRIMIPWEKBQ-SNVBAGLBSA-N 0 3 282.344 -1.192 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cn1cncn1 ZINC001367631570 887415549 /nfs/dbraw/zinc/41/55/49/887415549.db2.gz ONYWFTHWUYKNHP-BDAKNGLRSA-N 0 3 284.320 -2.521 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccnc(C)n1 ZINC001367631324 887415652 /nfs/dbraw/zinc/41/56/52/887415652.db2.gz OQMCLVPRCYUZRW-JTQLQIEISA-N 0 3 295.343 -1.399 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)COc1ccccc1 ZINC001367629057 887415918 /nfs/dbraw/zinc/41/59/18/887415918.db2.gz WIZPWOWDONYEDX-SNVBAGLBSA-N 0 3 281.312 -1.383 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cn1cncn1 ZINC001367631573 887415980 /nfs/dbraw/zinc/41/59/80/887415980.db2.gz ONYWFTHWUYKNHP-IUCAKERBSA-N 0 3 284.320 -2.521 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001367631443 887416085 /nfs/dbraw/zinc/41/60/85/887416085.db2.gz XNSVCLJIPLTURZ-GFCCVEGCSA-N 0 3 292.343 -1.117 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@H](C)NC(N)=O ZINC001367647666 887416180 /nfs/dbraw/zinc/41/61/80/887416180.db2.gz LQQPGHOHWMPZCH-IUCAKERBSA-N 0 3 287.364 -1.255 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001367641340 887416254 /nfs/dbraw/zinc/41/62/54/887416254.db2.gz DTTIZAPKXLJVQD-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1CNC(=O)N1 ZINC001367643867 887416408 /nfs/dbraw/zinc/41/64/08/887416408.db2.gz ANYDVIAEGOJHTB-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@@H](C)NC(N)=O ZINC001367647664 887416675 /nfs/dbraw/zinc/41/66/75/887416675.db2.gz LQQPGHOHWMPZCH-BDAKNGLRSA-N 0 3 287.364 -1.255 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CNCC(N)=O)c1C1CC1 ZINC001367629447 887416794 /nfs/dbraw/zinc/41/67/94/887416794.db2.gz MEXDLUNVLPTTPA-VIFPVBQESA-N 0 3 295.343 -1.537 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001367645499 887417203 /nfs/dbraw/zinc/41/72/03/887417203.db2.gz BEPHRORVRPAJMK-IONNQARKSA-N 0 3 288.348 -2.158 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001367666462 887418410 /nfs/dbraw/zinc/41/84/10/887418410.db2.gz RTCPTAHRGIJXPU-SSDOTTSWSA-N 0 3 270.293 -2.759 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@H](C)NC(N)=O ZINC001367666324 887418725 /nfs/dbraw/zinc/41/87/25/887418725.db2.gz OGXMZPNZIVFHFS-BDAKNGLRSA-N 0 3 299.375 -1.336 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cncnc1 ZINC001367667120 887418850 /nfs/dbraw/zinc/41/88/50/887418850.db2.gz UIJYVNFDHWPCSP-MRVPVSSYSA-N 0 3 291.315 -1.194 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1ccccn1 ZINC001367659386 887419017 /nfs/dbraw/zinc/41/90/17/887419017.db2.gz DDTGZEADZAADEH-MRVPVSSYSA-N 0 3 279.300 -1.016 20 0 CAADHN Cc1nccnc1CNC[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001367663890 887419213 /nfs/dbraw/zinc/41/92/13/887419213.db2.gz NBRVRWZVJDQUQE-VIFPVBQESA-N 0 3 291.315 -1.216 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1cn(C)nn1 ZINC001367670988 887419313 /nfs/dbraw/zinc/41/93/13/887419313.db2.gz BZTARQHWSASOBK-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)Cc1cccnc1 ZINC001367666044 887419368 /nfs/dbraw/zinc/41/93/68/887419368.db2.gz KJESBZVQJDBPLE-SECBINFHSA-N 0 3 293.327 -1.087 20 0 CAADHN CCCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)COC ZINC001367657911 887419612 /nfs/dbraw/zinc/41/96/12/887419612.db2.gz OOJIOLAOYADWQO-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001367650603 887419642 /nfs/dbraw/zinc/41/96/42/887419642.db2.gz XCZDLVVRWZPVQO-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CC[C@H](C)NC(=O)CNC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001367656226 887419909 /nfs/dbraw/zinc/41/99/09/887419909.db2.gz YYEYGVRGXYPNFB-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001367662575 887420031 /nfs/dbraw/zinc/42/00/31/887420031.db2.gz CWOMEPNJFCEVOM-MWLCHTKSSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001367671361 887420061 /nfs/dbraw/zinc/42/00/61/887420061.db2.gz MTKNBDYXKZJTPN-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CNC(=O)NC ZINC001367649634 887420228 /nfs/dbraw/zinc/42/02/28/887420228.db2.gz ZAMNPMNTZFXUTF-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@H](C)OC ZINC001367655910 887420382 /nfs/dbraw/zinc/42/03/82/887420382.db2.gz AMIJMIWVYPTELR-VGMNWLOBSA-N 0 3 288.348 -1.040 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1cccnc1 ZINC001367662741 887420403 /nfs/dbraw/zinc/42/04/03/887420403.db2.gz WXODNZARZKTNQJ-MRVPVSSYSA-N 0 3 279.300 -1.016 20 0 CAADHN Cc1n[nH]c(C)c1[C@H](C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001367669160 887420469 /nfs/dbraw/zinc/42/04/69/887420469.db2.gz VHHMCFWCYPBTER-XVKPBYJWSA-N 0 3 297.359 -1.318 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001367659280 887420695 /nfs/dbraw/zinc/42/06/95/887420695.db2.gz CDPUSDQDNXORLZ-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001367650604 887420719 /nfs/dbraw/zinc/42/07/19/887420719.db2.gz XCZDLVVRWZPVQO-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN CO[C@@H](C(=O)N[C@H](C)CNCC(=O)NC(N)=O)C1CC1 ZINC001367669103 887420736 /nfs/dbraw/zinc/42/07/36/887420736.db2.gz YTEMRWTWXGWSGT-GMSGAONNSA-N 0 3 286.332 -1.299 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCn1cncn1 ZINC001367654150 887420859 /nfs/dbraw/zinc/42/08/59/887420859.db2.gz FJGCMFQLWFUBCQ-ZJUUUORDSA-N 0 3 282.348 -1.103 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ncn[nH]1)c1nncn1C ZINC001367662514 887421048 /nfs/dbraw/zinc/42/10/48/887421048.db2.gz MQZRAYJRUZGTAL-JGVFFNPUSA-N 0 3 294.319 -1.625 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1nc[nH]n1)c1nncn1C ZINC001367662514 887421055 /nfs/dbraw/zinc/42/10/55/887421055.db2.gz MQZRAYJRUZGTAL-JGVFFNPUSA-N 0 3 294.319 -1.625 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1ccon1 ZINC001367664702 887421101 /nfs/dbraw/zinc/42/11/01/887421101.db2.gz HSFIFJAZYKYRMU-SFYZADRCSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CN1CCNC(=O)C1 ZINC001367694154 887422328 /nfs/dbraw/zinc/42/23/28/887422328.db2.gz SQJJWPQQXAOJMC-SNVBAGLBSA-N 0 3 299.375 -2.399 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cnc(OC)nc1 ZINC001367705838 887422433 /nfs/dbraw/zinc/42/24/33/887422433.db2.gz JHKYLYAQJBWSPE-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001367698154 887422527 /nfs/dbraw/zinc/42/25/27/887422527.db2.gz MFIFFXFOTALQDO-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCCCS1(=O)=O ZINC001367673895 887422748 /nfs/dbraw/zinc/42/27/48/887422748.db2.gz JOTVNSJNGXBYRN-BDAKNGLRSA-N 0 3 291.373 -1.467 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001367690723 887422883 /nfs/dbraw/zinc/42/28/83/887422883.db2.gz FJECLSANXCLRAN-SSDOTTSWSA-N 0 3 281.316 -1.055 20 0 CAADHN CCN1C[C@@H](C(=O)N[C@H](C)CNCC(N)=O)CC1=O ZINC001367674421 887423053 /nfs/dbraw/zinc/42/30/53/887423053.db2.gz HFCGWIWKNWHQHW-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)COCc1ccnn1C ZINC001367679725 887423154 /nfs/dbraw/zinc/42/31/54/887423154.db2.gz NUPHSVJHWWTBCK-SNVBAGLBSA-N 0 3 297.359 -1.223 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001367673141 887423194 /nfs/dbraw/zinc/42/31/94/887423194.db2.gz BWDDZMVRKMBKLH-MRVPVSSYSA-N 0 3 291.373 -1.739 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCCn1cncn1 ZINC001367709903 887423280 /nfs/dbraw/zinc/42/32/80/887423280.db2.gz VOHZWJWRZGPAMD-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001367685374 887423308 /nfs/dbraw/zinc/42/33/08/887423308.db2.gz SEIYLRJHUXISLY-MWLCHTKSSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)C1CS(=O)(=O)C1 ZINC001367674919 887423375 /nfs/dbraw/zinc/42/33/75/887423375.db2.gz JHUAXIZRMKXKPQ-APPZFPTMSA-N 0 3 289.357 -1.986 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cccnn1 ZINC001367702906 887423721 /nfs/dbraw/zinc/42/37/21/887423721.db2.gz HADKELSZVOZQDZ-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1nnn(C)n1 ZINC001367691647 887423831 /nfs/dbraw/zinc/42/38/31/887423831.db2.gz JHFNHYVSVDBCSD-HTQZYQBOSA-N 0 3 281.320 -1.851 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1nccn2ccnc12 ZINC001367700457 887424132 /nfs/dbraw/zinc/42/41/32/887424132.db2.gz UZZSCUHQSDUJMV-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001367688415 887424230 /nfs/dbraw/zinc/42/42/30/887424230.db2.gz FKDADARVNOJOLS-BBBLOLIVSA-N 0 3 284.360 -1.164 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001367709873 887424330 /nfs/dbraw/zinc/42/43/30/887424330.db2.gz UMEYXYWDZDLYQL-MRVPVSSYSA-N 0 3 299.331 -2.231 20 0 CAADHN COCCn1cc(C(=O)N[C@H](C)CNCC(N)=O)nn1 ZINC001367673654 887424416 /nfs/dbraw/zinc/42/44/16/887424416.db2.gz WCOJDYJBDLYXPL-MRVPVSSYSA-N 0 3 284.320 -1.882 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)[C@H](C)NC(N)=O)n[nH]1 ZINC001367724938 887425510 /nfs/dbraw/zinc/42/55/10/887425510.db2.gz CGBZWVCARZDXEF-BQBZGAKWSA-N 0 3 283.336 -1.236 20 0 CAADHN CCOCC(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001367720644 887425586 /nfs/dbraw/zinc/42/55/86/887425586.db2.gz QUQUSKMRURUDCA-QMMMGPOBSA-N 0 3 271.321 -1.261 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001367736683 887425670 /nfs/dbraw/zinc/42/56/70/887425670.db2.gz NVUQGPBRCUGLHW-RKDXNWHRSA-N 0 3 293.389 -1.493 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367711434 887425765 /nfs/dbraw/zinc/42/57/65/887425765.db2.gz FQDCDHIKCYPRGY-ZJUUUORDSA-N 0 3 296.375 -1.346 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367711434 887425772 /nfs/dbraw/zinc/42/57/72/887425772.db2.gz FQDCDHIKCYPRGY-ZJUUUORDSA-N 0 3 296.375 -1.346 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CCc1cn(C)nn1 ZINC001367716640 887425973 /nfs/dbraw/zinc/42/59/73/887425973.db2.gz YYCUFZFITKQTQE-SNVBAGLBSA-N 0 3 296.375 -1.022 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CNC(=O)OC ZINC001367720361 887426052 /nfs/dbraw/zinc/42/60/52/887426052.db2.gz BHKGDLNWSDRCLW-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)COC[C@@H]1CCCO1 ZINC001367715767 887426456 /nfs/dbraw/zinc/42/64/56/887426456.db2.gz QOMMZCWWEPICRE-ZJUUUORDSA-N 0 3 273.333 -1.238 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001367733877 887426561 /nfs/dbraw/zinc/42/65/61/887426561.db2.gz JUNYQTFCSPSUDV-YUMQZZPRSA-N 0 3 299.331 -2.246 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H](C)NC(C)=O ZINC001367719032 887426797 /nfs/dbraw/zinc/42/67/97/887426797.db2.gz HROOHBMYSCMICC-DTWKUNHWSA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccc2n[nH]nc2n1 ZINC001367736093 887427231 /nfs/dbraw/zinc/42/72/31/887427231.db2.gz CDGLGIXDQSWEHM-ZETCQYMHSA-N 0 3 291.315 -1.193 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1cn(C)cn1 ZINC001367731419 887427350 /nfs/dbraw/zinc/42/73/50/887427350.db2.gz QNBNODRFZAOHHG-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCS1(=O)=O ZINC001367717080 887427465 /nfs/dbraw/zinc/42/74/65/887427465.db2.gz SYTANCZOLGRRHJ-RKDXNWHRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCn1ccnn1 ZINC001367728303 887427534 /nfs/dbraw/zinc/42/75/34/887427534.db2.gz JVXZCEJPQNPPHY-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CNC(=O)OC ZINC001367722089 887427689 /nfs/dbraw/zinc/42/76/89/887427689.db2.gz QFYAFXCYOWFNBS-JGVFFNPUSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@H](CC(=O)N[C@@H](C)CNCC(=O)N1CCC1)NC(N)=O ZINC001367730567 887427824 /nfs/dbraw/zinc/42/78/24/887427824.db2.gz CARXIZYSEYLBNW-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)CNC(=O)C1CC1 ZINC001367721877 887428037 /nfs/dbraw/zinc/42/80/37/887428037.db2.gz LVEGPEHJPRMARM-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](CNCc1cnn(C)c1)NC(=O)Cn1cnnn1 ZINC001367722599 887428052 /nfs/dbraw/zinc/42/80/52/887428052.db2.gz DEENOEHJNQJMBG-VIFPVBQESA-N 0 3 278.320 -1.299 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001367710728 887428072 /nfs/dbraw/zinc/42/80/72/887428072.db2.gz JSFKUOVBQXVJGC-IWSPIJDZSA-N 0 3 287.364 -1.209 20 0 CAADHN Cc1c(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)cnn1C ZINC001367720163 887428243 /nfs/dbraw/zinc/42/82/43/887428243.db2.gz PQYJJCBWLIRZKB-ZETCQYMHSA-N 0 3 296.331 -1.369 20 0 CAADHN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001367765854 887431107 /nfs/dbraw/zinc/43/11/07/887431107.db2.gz FOVGHIRZRWUVQF-TVQRCGJNSA-N 0 3 284.360 -1.176 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001367770793 887430062 /nfs/dbraw/zinc/43/00/62/887430062.db2.gz JECDYWSAWHFOJJ-JGVFFNPUSA-N 0 3 292.361 -2.482 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CCn1ncn(C)c1=O ZINC001367747904 887430472 /nfs/dbraw/zinc/43/04/72/887430472.db2.gz UQOJKTOPQDGFDR-IUCAKERBSA-N 0 3 298.347 -2.060 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)Cn1cncn1 ZINC001367770667 887430663 /nfs/dbraw/zinc/43/06/63/887430663.db2.gz OVQGMZHTJZMMJN-UWVGGRQHSA-N 0 3 280.332 -1.397 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001367770912 887430768 /nfs/dbraw/zinc/43/07/68/887430768.db2.gz KQDJLYRGHTVTSW-YUMQZZPRSA-N 0 3 295.343 -1.044 20 0 CAADHN Cc1cnn(C)c1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001367750917 887430780 /nfs/dbraw/zinc/43/07/80/887430780.db2.gz LEJBIESYWABRLQ-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCn1ncn(C)c1=O)C(N)=O ZINC001367747894 887430954 /nfs/dbraw/zinc/43/09/54/887430954.db2.gz UQOJKTOPQDGFDR-DTWKUNHWSA-N 0 3 298.347 -2.060 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001367749868 887431053 /nfs/dbraw/zinc/43/10/53/887431053.db2.gz ORMUCBJLHQFNLC-JGVFFNPUSA-N 0 3 271.321 -2.150 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001367749884 887431094 /nfs/dbraw/zinc/43/10/94/887431094.db2.gz ORMUCBJLHQFNLC-YUMQZZPRSA-N 0 3 271.321 -2.150 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001367756022 887431159 /nfs/dbraw/zinc/43/11/59/887431159.db2.gz YIWMQJHHOSUAKA-VIFPVBQESA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001367749783 887431209 /nfs/dbraw/zinc/43/12/09/887431209.db2.gz DNHQONPYCWNHTQ-AXFHLTTASA-N 0 3 296.371 -1.068 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001367767510 887431244 /nfs/dbraw/zinc/43/12/44/887431244.db2.gz LJLFNYZTADDJTD-IUCAKERBSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)Cn1cc(C2CC2)nn1 ZINC001367737597 887431270 /nfs/dbraw/zinc/43/12/70/887431270.db2.gz ACODMHWVHHZPIO-QMMMGPOBSA-N 0 3 280.332 -1.265 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001367737079 887431318 /nfs/dbraw/zinc/43/13/18/887431318.db2.gz LHHVWDTVZMADEZ-QMMMGPOBSA-N 0 3 285.348 -1.712 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001367749797 887431462 /nfs/dbraw/zinc/43/14/62/887431462.db2.gz DNHQONPYCWNHTQ-DCAQKATOSA-N 0 3 296.371 -1.068 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CN1CCCNC1=O ZINC001367741131 887431593 /nfs/dbraw/zinc/43/15/93/887431593.db2.gz RVCIVTTWHIUQCY-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN C[C@@H](CNCc1nncn1C)NC(=O)Cc1nnc[nH]1 ZINC001367769228 887431652 /nfs/dbraw/zinc/43/16/52/887431652.db2.gz USBCWOOKSMFELR-QMMMGPOBSA-N 0 3 278.320 -1.230 20 0 CAADHN C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)Cn1cncn1 ZINC001367771306 887431676 /nfs/dbraw/zinc/43/16/76/887431676.db2.gz RQKMTWDNZJFVEC-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCn1cnnn1)C(=O)N(C)C ZINC001367762979 887431731 /nfs/dbraw/zinc/43/17/31/887431731.db2.gz OSPNDRLAMXUKAA-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001367770794 887432338 /nfs/dbraw/zinc/43/23/38/887432338.db2.gz JECDYWSAWHFOJJ-YUMQZZPRSA-N 0 3 292.361 -2.482 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001367756473 887432542 /nfs/dbraw/zinc/43/25/42/887432542.db2.gz ULSZVVRXVDLUIG-YUMQZZPRSA-N 0 3 281.316 -1.278 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)CN(C)C(C)=O ZINC001367790744 887434599 /nfs/dbraw/zinc/43/45/99/887434599.db2.gz VFOXZGLNKYVXGC-JQWIXIFHSA-N 0 3 289.376 -1.092 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@H]1CCC(=O)N1 ZINC001367785995 887434722 /nfs/dbraw/zinc/43/47/22/887434722.db2.gz HMWDJDQEWRSFRN-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001367799720 887434976 /nfs/dbraw/zinc/43/49/76/887434976.db2.gz JAAAUHHPGOUQJZ-KXUCPTDWSA-N 0 3 290.364 -1.513 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CS(=O)(=O)CC ZINC001367777499 887435177 /nfs/dbraw/zinc/43/51/77/887435177.db2.gz VTVQWWAUUAOSAR-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)[C@H]1CCC(=O)N1 ZINC001367785993 887435307 /nfs/dbraw/zinc/43/53/07/887435307.db2.gz HMWDJDQEWRSFRN-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CCn1ncn(C)c1=O ZINC001367824305 887435571 /nfs/dbraw/zinc/43/55/71/887435571.db2.gz SQNCXWFRIXUXGX-SNVBAGLBSA-N 0 3 285.348 -1.599 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001367820779 887435627 /nfs/dbraw/zinc/43/56/27/887435627.db2.gz WDRGDQDYLDXUNS-DTWKUNHWSA-N 0 3 295.343 -1.248 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001367812212 887436371 /nfs/dbraw/zinc/43/63/71/887436371.db2.gz HHPJYJHIKCVZAU-DTWKUNHWSA-N 0 3 295.343 -1.377 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CN[C@@H](C)C(=O)NC)C1CC1 ZINC001367893151 887438051 /nfs/dbraw/zinc/43/80/51/887438051.db2.gz CWLKKWKAHLEGES-WCBMZHEXSA-N 0 3 299.375 -1.466 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)c1ncn(C)n1)C1CC1)C(N)=O ZINC001367882556 887438189 /nfs/dbraw/zinc/43/81/89/887438189.db2.gz AIXBDJAMWSKURO-VXNVDRBHSA-N 0 3 280.332 -1.213 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001367914381 887438543 /nfs/dbraw/zinc/43/85/43/887438543.db2.gz IUUHNMNAPXJYMH-MNOVXSKESA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CNCC(=O)N(C)C)C1CC1 ZINC001367894769 887438576 /nfs/dbraw/zinc/43/85/76/887438576.db2.gz GXPWPLFDSUGRMN-SNVBAGLBSA-N 0 3 299.375 -1.512 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001367897560 887438614 /nfs/dbraw/zinc/43/86/14/887438614.db2.gz SKOZRYKJFISFRY-GHMZBOCLSA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001367887092 887438707 /nfs/dbraw/zinc/43/87/07/887438707.db2.gz QJYCAQXGZWHQNC-SFYZADRCSA-N 0 3 270.289 -1.936 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CNCC(=O)N(C)C)C1CC1 ZINC001367876777 887438714 /nfs/dbraw/zinc/43/87/14/887438714.db2.gz NDISLEMICBHAOB-NSHDSACASA-N 0 3 284.360 -1.305 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@@H]1CCNC(=O)CC1)C1CC1 ZINC001367903006 887438742 /nfs/dbraw/zinc/43/87/42/887438742.db2.gz PUNKONCSQKEYKB-WDEREUQCSA-N 0 3 296.371 -1.128 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001367922749 887438817 /nfs/dbraw/zinc/43/88/17/887438817.db2.gz PUCGKNCYNTXWOW-QWRGUYRKSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CN1CCCC1=O)C1CC1 ZINC001367881426 887438886 /nfs/dbraw/zinc/43/88/86/887438886.db2.gz BTJYEPGBPXCIMB-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)c1cn(CC(N)=O)nn1 ZINC001367863312 887439065 /nfs/dbraw/zinc/43/90/65/887439065.db2.gz QDRUFOSKUXZOOH-MRVPVSSYSA-N 0 3 284.320 -2.194 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CNCC(=O)N(C)C)C1CC1 ZINC001367894765 887439080 /nfs/dbraw/zinc/43/90/80/887439080.db2.gz GXPWPLFDSUGRMN-JTQLQIEISA-N 0 3 299.375 -1.512 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@@H]2CN(C)CCO2)CC1)C(N)=O ZINC001367992301 887444045 /nfs/dbraw/zinc/44/40/45/887444045.db2.gz WWSGVVOOSBCXTP-MNOVXSKESA-N 0 3 298.387 -1.181 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001367994349 887444157 /nfs/dbraw/zinc/44/41/57/887444157.db2.gz DCZULPJANPVXIT-IUCAKERBSA-N 0 3 297.359 -1.440 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001367994345 887445189 /nfs/dbraw/zinc/44/51/89/887445189.db2.gz DCZULPJANPVXIT-DTWKUNHWSA-N 0 3 297.359 -1.440 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NC[C@H]1CCN1CC1CC1)C(N)=O ZINC001367960740 887445759 /nfs/dbraw/zinc/44/57/59/887445759.db2.gz KNWSOSLQYBEDLS-NEPJUHHUSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@H]2CN(C)CCO2)CC1)C(N)=O ZINC001367992297 887446289 /nfs/dbraw/zinc/44/62/89/887446289.db2.gz WWSGVVOOSBCXTP-GHMZBOCLSA-N 0 3 298.387 -1.181 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001367990243 887447351 /nfs/dbraw/zinc/44/73/51/887447351.db2.gz IMVLWYQISZFOTA-SNVBAGLBSA-N 0 3 284.360 -1.699 20 0 CAADHN CNC(=O)[C@H](C)NC1(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001367988325 887447376 /nfs/dbraw/zinc/44/73/76/887447376.db2.gz BNAVTBYRFPSGIF-WDEREUQCSA-N 0 3 298.387 -1.310 20 0 CAADHN O=C(NCC1(N[C@@H]2CCNC2=O)CC1)c1cnc[nH]c1=O ZINC001368005104 887448728 /nfs/dbraw/zinc/44/87/28/887448728.db2.gz IGTBSBFPRJTZRD-SECBINFHSA-N 0 3 291.311 -1.077 20 0 CAADHN CC[C@H](NC1(CNC(=O)c2nnn(C)n2)CC1)C(N)=O ZINC001368018264 887449763 /nfs/dbraw/zinc/44/97/63/887449763.db2.gz ZVJYPOZFAWCNKX-ZETCQYMHSA-N 0 3 281.320 -1.674 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCC2(N[C@@H](C)C(N)=O)CC2)C1 ZINC001368046005 887449931 /nfs/dbraw/zinc/44/99/31/887449931.db2.gz ISYLJLVQIQLCOJ-WDEREUQCSA-N 0 3 298.387 -1.181 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1COC(=O)N1)C1CCCC1 ZINC001368137139 887452795 /nfs/dbraw/zinc/45/27/95/887452795.db2.gz DUCDDVHFKNRIIH-VHSXEESVSA-N 0 3 298.343 -1.155 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)CN1CCOCC1)C(N)=O ZINC001368095508 887452862 /nfs/dbraw/zinc/45/28/62/887452862.db2.gz CBQLLDUACXSDKT-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CS(C)(=O)=O ZINC001368099832 887453302 /nfs/dbraw/zinc/45/33/02/887453302.db2.gz MWALPQKOCQEBSP-SECBINFHSA-N 0 3 291.373 -1.642 20 0 CAADHN NC(=O)NCCC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001368112376 887454248 /nfs/dbraw/zinc/45/42/48/887454248.db2.gz AZYXAEJEDQDLCU-UWVGGRQHSA-N 0 3 297.359 -1.486 20 0 CAADHN NC(=O)NCCC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001368112370 887454673 /nfs/dbraw/zinc/45/46/73/887454673.db2.gz AZYXAEJEDQDLCU-NXEZZACHSA-N 0 3 297.359 -1.486 20 0 CAADHN C[C@]1(C(=O)N2CCC[C@H]2CNCC(N)=O)CCC(=O)NC1 ZINC001368109882 887454851 /nfs/dbraw/zinc/45/48/51/887454851.db2.gz OSEYLFPOQITEHY-HZMBPMFUSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCOCC1 ZINC001368230658 887456049 /nfs/dbraw/zinc/45/60/49/887456049.db2.gz DXLRLSBEZVPDHA-IAZYJMLFSA-N 0 3 297.355 -1.381 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001368858053 887506634 /nfs/dbraw/zinc/50/66/34/887506634.db2.gz UROOQGXJMNAAOR-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN COC[C@@H](O)CN1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001368161154 887457021 /nfs/dbraw/zinc/45/70/21/887457021.db2.gz HYPAEWMFJWDMAU-JOYOIKCWSA-N 0 3 298.347 -1.588 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)c1cn[nH]c(=O)c1 ZINC001368188644 887457385 /nfs/dbraw/zinc/45/73/85/887457385.db2.gz YSJZQHYWDYLJQV-SECBINFHSA-N 0 3 279.300 -1.138 20 0 CAADHN Cc1nn(CC(=O)N[C@]2(C)CCN(CCO)C2)c(=O)n1C ZINC001368169400 887459135 /nfs/dbraw/zinc/45/91/35/887459135.db2.gz CXULALFMIWPSNT-CYBMUJFWSA-N 0 3 297.359 -1.537 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001368249807 887461084 /nfs/dbraw/zinc/46/10/84/887461084.db2.gz VIDGAKSAVSJJEW-ZDUSSCGKSA-N 0 3 282.344 -1.113 20 0 CAADHN COC[C@@H](O)CN1CC[C@](O)(CNC(=O)c2cnco2)C1 ZINC001368257905 887461117 /nfs/dbraw/zinc/46/11/17/887461117.db2.gz NUXPVNGECOYDKQ-GWCFXTLKSA-N 0 3 299.327 -1.152 20 0 CAADHN Cn1cc(CC(=O)NC[C@@]2(O)CCN(CCO)C2)cn1 ZINC001368247166 887461475 /nfs/dbraw/zinc/46/14/75/887461475.db2.gz OZLQBBDVGQTDIS-ZDUSSCGKSA-N 0 3 282.344 -1.492 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001368249805 887462748 /nfs/dbraw/zinc/46/27/48/887462748.db2.gz VIDGAKSAVSJJEW-CYBMUJFWSA-N 0 3 282.344 -1.113 20 0 CAADHN O=C(CCn1ccnn1)NC[C@@]1(O)CCN(CCO)C1 ZINC001368256981 887463196 /nfs/dbraw/zinc/46/31/96/887463196.db2.gz BGKYUMXEVQYWCC-LBPRGKRZSA-N 0 3 283.332 -1.787 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@]12C[C@H]1COC2 ZINC001368249861 887463961 /nfs/dbraw/zinc/46/39/61/887463961.db2.gz VIHQRBQTJJEGCC-UHTWSYAYSA-N 0 3 270.329 -1.432 20 0 CAADHN COC[C@H](OC)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001368269278 887465384 /nfs/dbraw/zinc/46/53/84/887465384.db2.gz DQCVPIRADYAWPG-BBBLOLIVSA-N 0 3 273.333 -1.430 20 0 CAADHN Cn1cnn(CC(=O)NC[C@]2(O)CCN(CCO)C2)c1=O ZINC001368266960 887466800 /nfs/dbraw/zinc/46/68/00/887466800.db2.gz YMYHXZYKUGHVEB-GFCCVEGCSA-N 0 3 299.331 -2.873 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1C ZINC001368269397 887467113 /nfs/dbraw/zinc/46/71/13/887467113.db2.gz NIWHKHNMUBFONC-HRDYMLBCSA-N 0 3 283.332 -2.150 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@H]1CCC(=O)NC1 ZINC001368264062 887467482 /nfs/dbraw/zinc/46/74/82/887467482.db2.gz RJWSRIJCOFVQQM-GXFFZTMASA-N 0 3 285.344 -1.942 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@@H]1CCC(=O)NC1 ZINC001368264064 887467511 /nfs/dbraw/zinc/46/75/11/887467511.db2.gz RJWSRIJCOFVQQM-MFKMUULPSA-N 0 3 285.344 -1.942 20 0 CAADHN COC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001368275590 887467540 /nfs/dbraw/zinc/46/75/40/887467540.db2.gz GXMNNMHRLXSHSE-MFKMUULPSA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001368275590 887467542 /nfs/dbraw/zinc/46/75/42/887467542.db2.gz GXMNNMHRLXSHSE-MFKMUULPSA-N 0 3 297.359 -1.065 20 0 CAADHN C[C@H](O)CN1CCC[C@@](CO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001368369733 887479882 /nfs/dbraw/zinc/47/98/82/887479882.db2.gz ANXJKDGYZPCQBU-GXFFZTMASA-N 0 3 297.359 -1.329 20 0 CAADHN O=C(CCc1nnc[nH]1)N[C@@]1(CO)CCCN(CCO)C1 ZINC001368365307 887481018 /nfs/dbraw/zinc/48/10/18/887481018.db2.gz CTWBDHWHBLUPSE-ZDUSSCGKSA-N 0 3 297.359 -1.327 20 0 CAADHN O=C(C1=CCOCC1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001368394223 887482472 /nfs/dbraw/zinc/48/24/72/887482472.db2.gz PKPFETNVZUUXQK-GFCCVEGCSA-N 0 3 297.355 -1.368 20 0 CAADHN Cc1conc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001368394030 887482893 /nfs/dbraw/zinc/48/28/93/887482893.db2.gz GHNZPUSTJGZLDF-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cnn(C)c1)C(N)=O ZINC001368388116 887483792 /nfs/dbraw/zinc/48/37/92/887483792.db2.gz QEXVTLQVWGGPQO-SECBINFHSA-N 0 3 283.332 -1.682 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)CC1(O)CCC1)C(N)=O ZINC001368390255 887482930 /nfs/dbraw/zinc/48/29/30/887482930.db2.gz CSKUJGVJIRSEDU-JTQLQIEISA-N 0 3 287.360 -1.424 20 0 CAADHN Cc1cn(C)nc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001368389388 887482943 /nfs/dbraw/zinc/48/29/43/887482943.db2.gz BHMOGFGQWWNISY-SNVBAGLBSA-N 0 3 297.359 -1.374 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@@H](C)OC ZINC001368390341 887483359 /nfs/dbraw/zinc/48/33/59/887483359.db2.gz DZECWUVSUZANJM-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@H](C)OC ZINC001368390340 887483885 /nfs/dbraw/zinc/48/38/85/887483885.db2.gz DZECWUVSUZANJM-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)CC1(O)CCC1)C(N)=O ZINC001368390256 887483987 /nfs/dbraw/zinc/48/39/87/887483987.db2.gz CSKUJGVJIRSEDU-SNVBAGLBSA-N 0 3 287.360 -1.424 20 0 CAADHN O=C(Cc1ccon1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001368389296 887484308 /nfs/dbraw/zinc/48/43/08/887484308.db2.gz ANJKGVRHWZDOCE-LLVKDONJSA-N 0 3 296.327 -1.484 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H](C)n1cncn1)C(N)=O ZINC001368398047 887484445 /nfs/dbraw/zinc/48/44/45/887484445.db2.gz YFEOEIRMSGPXEK-UWVGGRQHSA-N 0 3 298.347 -1.877 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)[nH]n1 ZINC001368389287 887484657 /nfs/dbraw/zinc/48/46/57/887484657.db2.gz ALCXKFVDVOUUIQ-SNVBAGLBSA-N 0 3 295.343 -1.369 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)n[nH]1 ZINC001368389287 887484664 /nfs/dbraw/zinc/48/46/64/887484664.db2.gz ALCXKFVDVOUUIQ-SNVBAGLBSA-N 0 3 295.343 -1.369 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H](C)n1cncn1)C(N)=O ZINC001368398054 887484743 /nfs/dbraw/zinc/48/47/43/887484743.db2.gz YFEOEIRMSGPXEK-ZJUUUORDSA-N 0 3 298.347 -1.877 20 0 CAADHN C[C@H](C(=O)N(CCO)CCN[C@@H](C)C(N)=O)n1cncn1 ZINC001368398050 887484805 /nfs/dbraw/zinc/48/48/05/887484805.db2.gz YFEOEIRMSGPXEK-VHSXEESVSA-N 0 3 298.347 -1.877 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)[C@H]1CCCO1)C(N)=O ZINC001368386922 887484822 /nfs/dbraw/zinc/48/48/22/887484822.db2.gz JVAJQUUJZUHHCK-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1ncn(C)n1)C(N)=O ZINC001368391524 887484863 /nfs/dbraw/zinc/48/48/63/887484863.db2.gz HVFNGMJBPJOJPG-VIFPVBQESA-N 0 3 298.347 -1.897 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001368392291 887484874 /nfs/dbraw/zinc/48/48/74/887484874.db2.gz KSIORJLMSLGBAH-SECBINFHSA-N 0 3 296.327 -1.315 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)c2ncc[nH]2)C1=O ZINC001368396006 887484912 /nfs/dbraw/zinc/48/49/12/887484912.db2.gz UIHNLQZHSDLMBY-JTQLQIEISA-N 0 3 295.343 -1.336 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@@H]1CC1(F)F)C(N)=O ZINC001368395999 887484944 /nfs/dbraw/zinc/48/49/44/887484944.db2.gz UHEFFHFNNKOOMU-YUMQZZPRSA-N 0 3 279.287 -1.074 20 0 CAADHN O=C(c1ncc[nH]1)N(CCO)CCN[C@H]1CCCNC1=O ZINC001368398143 887485101 /nfs/dbraw/zinc/48/51/01/887485101.db2.gz YVLULUORUOIWAW-JTQLQIEISA-N 0 3 295.343 -1.288 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1nnn(C)n1 ZINC001368400702 887486725 /nfs/dbraw/zinc/48/67/25/887486725.db2.gz UHWWXMLKVQDGBE-MRVPVSSYSA-N 0 3 299.335 -2.631 20 0 CAADHN CN1CCO[C@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001368445804 887487078 /nfs/dbraw/zinc/48/70/78/887487078.db2.gz ABSWVBRYFSQLOG-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@@H]1CN[C@H]1CCNC1=O ZINC001368443726 887487256 /nfs/dbraw/zinc/48/72/56/887487256.db2.gz MZDXOTKVTQKVOP-NEPJUHHUSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001368443766 887487383 /nfs/dbraw/zinc/48/73/83/887487383.db2.gz NFLWGIBKQUVRHZ-GXSJLCMTSA-N 0 3 284.360 -1.033 20 0 CAADHN Cc1nonc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001368405343 887487862 /nfs/dbraw/zinc/48/78/62/887487862.db2.gz DQMVQMDYWVOQQE-SECBINFHSA-N 0 3 297.315 -1.709 20 0 CAADHN Cc1nonc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001368418166 887488071 /nfs/dbraw/zinc/48/80/71/887488071.db2.gz XMEDFTOWIWWAJB-QMMMGPOBSA-N 0 3 285.304 -1.724 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001368513900 887489607 /nfs/dbraw/zinc/48/96/07/887489607.db2.gz ZHTIUPCUKPGAQH-MRVPVSSYSA-N 0 3 297.319 -2.613 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2ccncn2)CCO1)C(N)=O ZINC001368535584 887489685 /nfs/dbraw/zinc/48/96/85/887489685.db2.gz RJKUYZOEJRWGKB-ZJUUUORDSA-N 0 3 293.327 -1.219 20 0 CAADHN CCC(=O)N1CCO[C@@H](CN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001368503117 887489710 /nfs/dbraw/zinc/48/97/10/887489710.db2.gz OTIMXINMAUWXSR-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001368517611 887489787 /nfs/dbraw/zinc/48/97/87/887489787.db2.gz RDFASTORSQIAOK-JTQLQIEISA-N 0 3 295.343 -1.403 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001368531830 887490152 /nfs/dbraw/zinc/49/01/52/887490152.db2.gz IWRZUDOIFXPJIB-AEJSXWLSSA-N 0 3 298.343 -2.329 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001368505658 887490283 /nfs/dbraw/zinc/49/02/83/887490283.db2.gz NRYKDRUXATXWDF-LLVKDONJSA-N 0 3 295.343 -1.024 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCO1 ZINC001368517116 887490467 /nfs/dbraw/zinc/49/04/67/887490467.db2.gz YMXSHZMWRFSLIF-ZJUUUORDSA-N 0 3 298.343 -2.172 20 0 CAADHN CCC(=O)N1CCO[C@H](CN[C@H](C)C(=O)NC(N)=O)C1 ZINC001368503121 887490600 /nfs/dbraw/zinc/49/06/00/887490600.db2.gz OTIMXINMAUWXSR-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)COC(C)C)CCO1 ZINC001368523036 887490873 /nfs/dbraw/zinc/49/08/73/887490873.db2.gz PXNLYWNALRTLIZ-NSHDSACASA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001368517623 887491267 /nfs/dbraw/zinc/49/12/67/887491267.db2.gz RDFASTORSQIAOK-SNVBAGLBSA-N 0 3 295.343 -1.403 20 0 CAADHN Cc1nc[nH]c1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001368517496 887491373 /nfs/dbraw/zinc/49/13/73/887491373.db2.gz QQJHTFPHIPNKMY-VIFPVBQESA-N 0 3 281.316 -1.366 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H]1C[C@@H](NCC(N)=O)C1 ZINC001368538364 887491758 /nfs/dbraw/zinc/49/17/58/887491758.db2.gz XQXAHTJNEZLORJ-DTORHVGOSA-N 0 3 291.373 -1.609 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001368602191 887493220 /nfs/dbraw/zinc/49/32/20/887493220.db2.gz WOYUZVARZYTVOH-UWVGGRQHSA-N 0 3 295.343 -1.025 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)Cn1ncnn1 ZINC001368551554 887494283 /nfs/dbraw/zinc/49/42/83/887494283.db2.gz XYFALEZNQDCVNC-JTQLQIEISA-N 0 3 297.363 -1.283 20 0 CAADHN C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCC(=O)N(C)C ZINC001368662645 887496208 /nfs/dbraw/zinc/49/62/08/887496208.db2.gz MDSZYJAOVISAAH-VHSXEESVSA-N 0 3 294.359 -1.047 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@H](N(CCO)CCO)C2)n1 ZINC001368713293 887496263 /nfs/dbraw/zinc/49/62/63/887496263.db2.gz CSWNFAJYWSRWCT-NSHDSACASA-N 0 3 297.359 -1.294 20 0 CAADHN C[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1NCC(=O)N(C)C ZINC001368667640 887496350 /nfs/dbraw/zinc/49/63/50/887496350.db2.gz ONWJFBNIULPBDR-UWVGGRQHSA-N 0 3 299.375 -1.431 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)COCC2CC2)CC1 ZINC001368686156 887496504 /nfs/dbraw/zinc/49/65/04/887496504.db2.gz RFKBMPUQJISOFJ-UHFFFAOYSA-N 0 3 299.371 -1.159 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1C ZINC001368655678 887496756 /nfs/dbraw/zinc/49/67/56/887496756.db2.gz ZIPXHQXGXCTTFJ-WCBMZHEXSA-N 0 3 294.359 -1.080 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cc2ncc[nH]2)CCOCC1 ZINC001368630714 887497240 /nfs/dbraw/zinc/49/72/40/887497240.db2.gz HEXHVFKJRDMDIM-UHFFFAOYSA-N 0 3 295.343 -1.308 20 0 CAADHN COCC(=O)N1CCC(O)(CN[C@@H](C)C(N)=O)CC1 ZINC001368678901 887497320 /nfs/dbraw/zinc/49/73/20/887497320.db2.gz SMYQRRFOWMWXAB-VIFPVBQESA-N 0 3 273.333 -1.550 20 0 CAADHN COCC(=O)N1CCC(O)(CNCC(=O)N2CCC2)CC1 ZINC001368675509 887497431 /nfs/dbraw/zinc/49/74/31/887497431.db2.gz COQOLEJKYRIGKJ-UHFFFAOYSA-N 0 3 299.371 -1.192 20 0 CAADHN Cc1cc(C(=O)N2CCC[C@@](CO)(NCC(N)=O)C2)n[nH]1 ZINC001368625395 887497626 /nfs/dbraw/zinc/49/76/26/887497626.db2.gz XNKAXCJZJSLXAJ-CYBMUJFWSA-N 0 3 295.343 -1.240 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1C ZINC001368658909 887497672 /nfs/dbraw/zinc/49/76/72/887497672.db2.gz OFECJIADPLBGBV-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2nnn(C)c2C)C[C@@H]1C ZINC001368655682 887497713 /nfs/dbraw/zinc/49/77/13/887497713.db2.gz ZIPXHQXGXCTTFJ-WPRPVWTQSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@@H]1C ZINC001368659555 887497933 /nfs/dbraw/zinc/49/79/33/887497933.db2.gz SVKFGPDKVUPSEU-DTWKUNHWSA-N 0 3 295.343 -1.078 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@@H](N(CCO)CCO)C2)n1 ZINC001368713288 887497967 /nfs/dbraw/zinc/49/79/67/887497967.db2.gz CSWNFAJYWSRWCT-LLVKDONJSA-N 0 3 297.359 -1.294 20 0 CAADHN O=C(c1cn[n-]n1)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001368721734 887498141 /nfs/dbraw/zinc/49/81/41/887498141.db2.gz OSVZTOMVYFVZHS-JTQLQIEISA-N 0 3 283.332 -1.304 20 0 CAADHN C[C@@H](CC(=O)N1CCCC[C@H]1CNCC(N)=O)NC(N)=O ZINC001368775774 887499853 /nfs/dbraw/zinc/49/98/53/887499853.db2.gz USAVAXRSFQFLIS-UWVGGRQHSA-N 0 3 299.375 -1.111 20 0 CAADHN CN(CCO)C[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001368797871 887500097 /nfs/dbraw/zinc/50/00/97/887500097.db2.gz LZJYNOLSGUABBQ-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN O=C(Cn1cncn1)N1CCC[C@H](N(CCO)CCO)C1 ZINC001368738769 887500113 /nfs/dbraw/zinc/50/01/13/887500113.db2.gz VRCUSHSIAXMHHX-LBPRGKRZSA-N 0 3 297.359 -1.444 20 0 CAADHN COCCN1CCC(CO)(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001368770528 887500329 /nfs/dbraw/zinc/50/03/29/887500329.db2.gz DOXKPVRSWIMNMJ-NSHDSACASA-N 0 3 299.371 -1.146 20 0 CAADHN CCn1nncc1C(=O)NC1(CO)CCN(CCO)CC1 ZINC001368760783 887500384 /nfs/dbraw/zinc/50/03/84/887500384.db2.gz HLCIVFZKKHUNBD-UHFFFAOYSA-N 0 3 297.359 -1.153 20 0 CAADHN CN(CCO)C[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001368790830 887500589 /nfs/dbraw/zinc/50/05/89/887500589.db2.gz ACVFQPHATYSLRM-GFCCVEGCSA-N 0 3 298.387 -1.667 20 0 CAADHN C[C@H](CC(=O)N1CCCC[C@H]1CNCC(N)=O)NC(N)=O ZINC001368775776 887501556 /nfs/dbraw/zinc/50/15/56/887501556.db2.gz USAVAXRSFQFLIS-ZJUUUORDSA-N 0 3 299.375 -1.111 20 0 CAADHN C[C@H](NC[C@@H]1CCCCN1C(=O)Cn1cnnn1)C(N)=O ZINC001368775041 887502339 /nfs/dbraw/zinc/50/23/39/887502339.db2.gz CUVFHIAPVXTAHS-UWVGGRQHSA-N 0 3 295.347 -1.482 20 0 CAADHN COCCN1CCC(CO)(NC(=O)Cn2ncnn2)CC1 ZINC001368761629 887503062 /nfs/dbraw/zinc/50/30/62/887503062.db2.gz OMWMUQALJCDDKD-UHFFFAOYSA-N 0 3 298.347 -1.737 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)[C@H]2CCC(=O)N2)CC1 ZINC001368760637 887503133 /nfs/dbraw/zinc/50/31/33/887503133.db2.gz AYOHMOBCIPUFIQ-GHMZBOCLSA-N 0 3 299.371 -1.411 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001368862642 887504197 /nfs/dbraw/zinc/50/41/97/887504197.db2.gz ODCWPQOJKFDSDD-NXEZZACHSA-N 0 3 297.363 -1.320 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001368858042 887504273 /nfs/dbraw/zinc/50/42/73/887504273.db2.gz UROOQGXJMNAAOR-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](NC(=O)c1cn(C)nn1)[C@H](C)NCC(=O)N(C)C ZINC001368866675 887504845 /nfs/dbraw/zinc/50/48/45/887504845.db2.gz OQVKIBQYIFBZHK-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCCCC1=O ZINC001368856598 887504878 /nfs/dbraw/zinc/50/48/78/887504878.db2.gz DJYUBPLEASVAII-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCC1 ZINC001368831353 887505017 /nfs/dbraw/zinc/50/50/17/887505017.db2.gz HMLRTTOAEXWEIH-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN Cc1nc(CN[C@@H](C)[C@@H](C)NC(=O)Cn2ncnn2)n[nH]1 ZINC001368867040 887505048 /nfs/dbraw/zinc/50/50/48/887505048.db2.gz RUBSGWCKPVGJHU-JGVFFNPUSA-N 0 3 293.335 -1.217 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CN1CCCCC1=O ZINC001368856576 887505185 /nfs/dbraw/zinc/50/51/85/887505185.db2.gz DJYUBPLEASVAII-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001368870269 887506530 /nfs/dbraw/zinc/50/65/30/887506530.db2.gz QUWDUMPAUKPFLF-HTQZYQBOSA-N 0 3 283.332 -1.032 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001368870277 887507070 /nfs/dbraw/zinc/50/70/70/887507070.db2.gz QUWDUMPAUKPFLF-YUMQZZPRSA-N 0 3 283.332 -1.032 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)Cc1ccon1 ZINC001368860363 887506928 /nfs/dbraw/zinc/50/69/28/887506928.db2.gz OPXXVKAGXKVVNR-YUMQZZPRSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)Cn1cncn1 ZINC001368914423 887506985 /nfs/dbraw/zinc/50/69/85/887506985.db2.gz ZDRJRALOCMUJCY-UWVGGRQHSA-N 0 3 282.348 -1.151 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCc1cn(C)nn1 ZINC001368900945 887507041 /nfs/dbraw/zinc/50/70/41/887507041.db2.gz DBIBIRLJGYZOMS-RKDXNWHRSA-N 0 3 282.348 -1.284 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N1CCC1 ZINC001368831350 887507126 /nfs/dbraw/zinc/50/71/26/887507126.db2.gz HMLRTTOAEXWEIH-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001368899249 887507320 /nfs/dbraw/zinc/50/73/20/887507320.db2.gz RZEKAZCBQNHZMV-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001368900940 887507348 /nfs/dbraw/zinc/50/73/48/887507348.db2.gz DBIBIRLJGYZOMS-IUCAKERBSA-N 0 3 282.348 -1.284 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001368937030 887508565 /nfs/dbraw/zinc/50/85/65/887508565.db2.gz BDZGAQCOWBITQJ-UWVGGRQHSA-N 0 3 286.336 -1.883 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)Cn1ncnn1 ZINC001368937029 887510023 /nfs/dbraw/zinc/51/00/23/887510023.db2.gz BDZGAQCOWBITQJ-NXEZZACHSA-N 0 3 286.336 -1.883 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)N(C)CCO ZINC001368987081 887510040 /nfs/dbraw/zinc/51/00/40/887510040.db2.gz WMVBRQYGOJEDEE-BDAKNGLRSA-N 0 3 281.378 -1.647 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001368985473 887512017 /nfs/dbraw/zinc/51/20/17/887512017.db2.gz QTSYJKIABDOKDN-IUCAKERBSA-N 0 3 286.336 -1.733 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[nH]1)N(C)[C@@H]1CCNC1=O ZINC001369004363 887513102 /nfs/dbraw/zinc/51/31/02/887513102.db2.gz VOPYCOKUCOIZRL-DTWKUNHWSA-N 0 3 280.332 -1.328 20 0 CAADHN COCCN(C)[C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001368999252 887516186 /nfs/dbraw/zinc/51/61/86/887516186.db2.gz JMWVNCVVOICMSP-UWVGGRQHSA-N 0 3 293.389 -1.239 20 0 CAADHN COCCN(C)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001368999257 887516413 /nfs/dbraw/zinc/51/64/13/887516413.db2.gz JMWVNCVVOICMSP-ZJUUUORDSA-N 0 3 293.389 -1.239 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001369148627 887521101 /nfs/dbraw/zinc/52/11/01/887521101.db2.gz NBYMHVMQDVXXRV-WCBMZHEXSA-N 0 3 296.331 -1.881 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)C1CN(C[C@@H](C)O)C1 ZINC001369096336 887522016 /nfs/dbraw/zinc/52/20/16/887522016.db2.gz BIPRQYQTLMCBID-RKDXNWHRSA-N 0 3 293.389 -1.647 20 0 CAADHN COC[C@H](O)CN1CC([C@H](C)NC(=O)Cn2cncn2)C1 ZINC001369099724 887522150 /nfs/dbraw/zinc/52/21/50/887522150.db2.gz ZPPGUIUKQBZPOQ-CMPLNLGQSA-N 0 3 297.359 -1.278 20 0 CAADHN COC[C@@H](O)CN1CC([C@@H](C)NC(=O)Cn2cncn2)C1 ZINC001369099733 887522322 /nfs/dbraw/zinc/52/23/22/887522322.db2.gz ZPPGUIUKQBZPOQ-PWSUYJOCSA-N 0 3 297.359 -1.278 20 0 CAADHN CCOCC(=O)N1CCO[C@H]([C@H](C)NCC(N)=O)C1 ZINC001369150781 887522634 /nfs/dbraw/zinc/52/26/34/887522634.db2.gz VICCJJWRMSTAPC-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN COC[C@H](O)CN1CC([C@@H](C)NC(=O)Cn2cncn2)C1 ZINC001369099735 887522960 /nfs/dbraw/zinc/52/29/60/887522960.db2.gz ZPPGUIUKQBZPOQ-ZYHUDNBSSA-N 0 3 297.359 -1.278 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCCO1)NCC(=O)NC(N)=O ZINC001369236494 887524640 /nfs/dbraw/zinc/52/46/40/887524640.db2.gz OXLUYZTXJJYSOQ-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H](NC[C@@H](C1CC1)N(C)C(=O)Cn1ncnn1)C(N)=O ZINC001369204094 887524269 /nfs/dbraw/zinc/52/42/69/887524269.db2.gz PREQNRPFDFEHLM-WPRPVWTQSA-N 0 3 295.347 -1.627 20 0 CAADHN C[C@@H](NC[C@H](C1CC1)N(C)C(=O)Cn1ncnn1)C(N)=O ZINC001369204080 887524566 /nfs/dbraw/zinc/52/45/66/887524566.db2.gz PREQNRPFDFEHLM-PSASIEDQSA-N 0 3 295.347 -1.627 20 0 CAADHN CO[C@H](C)C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O ZINC001369238107 887524719 /nfs/dbraw/zinc/52/47/19/887524719.db2.gz RPBGRSAYQGOWSZ-JGVFFNPUSA-N 0 3 274.321 -1.347 20 0 CAADHN CNS(=O)(=O)CCC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001369249463 887524804 /nfs/dbraw/zinc/52/48/04/887524804.db2.gz HAZBWIXMMPKWMP-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CN(C(=O)c1nnn(C)n1)[C@@H](CNCC(N)=O)C1CC1 ZINC001369216916 887525083 /nfs/dbraw/zinc/52/50/83/887525083.db2.gz JIBQCSSPSDIJLE-QMMMGPOBSA-N 0 3 281.320 -1.864 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CN1CCCC1=O ZINC001369222498 887525108 /nfs/dbraw/zinc/52/51/08/887525108.db2.gz FDBSZKPIBYMDOK-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@@H](CN(C)C(=O)CS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001369228733 887525160 /nfs/dbraw/zinc/52/51/60/887525160.db2.gz GBTUZCFSAZDVGL-YUMQZZPRSA-N 0 3 279.362 -1.659 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)c1ncc[nH]1 ZINC001369247335 887525192 /nfs/dbraw/zinc/52/51/92/887525192.db2.gz AJXPJOBHOIUGLL-QMMMGPOBSA-N 0 3 296.331 -1.085 20 0 CAADHN C[C@H](CN(C)C(=O)CS(C)(=O)=O)N[C@H](C)C(N)=O ZINC001369228716 887525309 /nfs/dbraw/zinc/52/53/09/887525309.db2.gz GBTUZCFSAZDVGL-HTQZYQBOSA-N 0 3 279.362 -1.659 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CNC(C)=O ZINC001369235637 887525438 /nfs/dbraw/zinc/52/54/38/887525438.db2.gz SIIIUDIWVOWBNH-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CNC(C)=O ZINC001369235636 887525462 /nfs/dbraw/zinc/52/54/62/887525462.db2.gz SIIIUDIWVOWBNH-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)NCC(=O)N(C)C ZINC001369243816 887525658 /nfs/dbraw/zinc/52/56/58/887525658.db2.gz ATLHWMZGKIUBEB-IUCAKERBSA-N 0 3 286.332 -1.381 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001369225248 887525728 /nfs/dbraw/zinc/52/57/28/887525728.db2.gz KAMGZVMUUHVTPL-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN CO[C@H](C)C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001369238104 887526230 /nfs/dbraw/zinc/52/62/30/887526230.db2.gz RPBGRSAYQGOWSZ-HTQZYQBOSA-N 0 3 274.321 -1.347 20 0 CAADHN C[C@@H](NC[C@@H](C1CC1)N(C)C(=O)Cn1ncnn1)C(N)=O ZINC001369204084 887526312 /nfs/dbraw/zinc/52/63/12/887526312.db2.gz PREQNRPFDFEHLM-SCZZXKLOSA-N 0 3 295.347 -1.627 20 0 CAADHN C[C@H](NC[C@H](C1CC1)N(C)C(=O)Cn1ncnn1)C(N)=O ZINC001369204089 887526429 /nfs/dbraw/zinc/52/64/29/887526429.db2.gz PREQNRPFDFEHLM-WCBMZHEXSA-N 0 3 295.347 -1.627 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001369206329 887526483 /nfs/dbraw/zinc/52/64/83/887526483.db2.gz CIZSGYYPPFSLCF-WCBMZHEXSA-N 0 3 299.375 -1.384 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001369225253 887526567 /nfs/dbraw/zinc/52/65/67/887526567.db2.gz KAMGZVMUUHVTPL-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN C[C@@H](CN(C)C(=O)CCCC(N)=O)N[C@H]1CCNC1=O ZINC001369302158 887528190 /nfs/dbraw/zinc/52/81/90/887528190.db2.gz RCOLIQCEADLENI-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN(C)C(=O)CCc1cn(C)nn1)NCC(N)=O ZINC001369301248 887528250 /nfs/dbraw/zinc/52/82/50/887528250.db2.gz PHMNFTJTDGCVDY-SECBINFHSA-N 0 3 282.348 -1.331 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)NCC(=O)N(C)C ZINC001369252899 887528640 /nfs/dbraw/zinc/52/86/40/887528640.db2.gz FNRYXLSHRBDUHE-QWRGUYRKSA-N 0 3 298.387 -1.011 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O ZINC001369290665 887528751 /nfs/dbraw/zinc/52/87/51/887528751.db2.gz BNNZFYXTJGZING-ZETCQYMHSA-N 0 3 296.331 -1.037 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001369273371 887528807 /nfs/dbraw/zinc/52/88/07/887528807.db2.gz OVSZSCGBHLSAGA-UWVGGRQHSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn2c(n1)COCC2)NCC(N)=O ZINC001369265025 887528824 /nfs/dbraw/zinc/52/88/24/887528824.db2.gz SCCFDZADLSAYIV-SECBINFHSA-N 0 3 295.343 -1.051 20 0 CAADHN C[C@@H](CN(C)C(=O)CCCC(N)=O)N[C@@H](C)C(N)=O ZINC001369294421 887528858 /nfs/dbraw/zinc/52/88/58/887528858.db2.gz DIMFPGUZPKHDCH-IUCAKERBSA-N 0 3 272.349 -1.048 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N(C)C ZINC001369276814 887529162 /nfs/dbraw/zinc/52/91/62/887529162.db2.gz NAHQJZKOLZPEIJ-BBBLOLIVSA-N 0 3 284.360 -1.368 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CO[C@H]1CCOC1 ZINC001369249474 887529210 /nfs/dbraw/zinc/52/92/10/887529210.db2.gz HCMCSJSDQWWMIK-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CN(C)C(=O)CCCC(N)=O)N[C@@H]1CCNC1=O ZINC001369302157 887529238 /nfs/dbraw/zinc/52/92/38/887529238.db2.gz RCOLIQCEADLENI-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN(C)C(=O)CCCC(N)=O)N[C@H](C)C(N)=O ZINC001369294426 887529475 /nfs/dbraw/zinc/52/94/75/887529475.db2.gz DIMFPGUZPKHDCH-RKDXNWHRSA-N 0 3 272.349 -1.048 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CO[C@H]1CCOC1 ZINC001369249473 887529769 /nfs/dbraw/zinc/52/97/69/887529769.db2.gz HCMCSJSDQWWMIK-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)NCC(N)=O ZINC001369280114 887529893 /nfs/dbraw/zinc/52/98/93/887529893.db2.gz QAGZRWKQPDHRCV-YUMQZZPRSA-N 0 3 294.377 -2.154 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001369318853 887538690 /nfs/dbraw/zinc/53/86/90/887538690.db2.gz PZJOOVXQIHZVMR-RKDXNWHRSA-N 0 3 298.347 -2.062 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001369319184 887541063 /nfs/dbraw/zinc/54/10/63/887541063.db2.gz BWANLPOVCUALOF-VIFPVBQESA-N 0 3 297.363 -1.215 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1cc[nH]c1 ZINC001369330508 887544907 /nfs/dbraw/zinc/54/49/07/887544907.db2.gz NZETWGOZLMZQKJ-LLVKDONJSA-N 0 3 278.316 -1.013 20 0 CAADHN Cn1cncc1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001369334286 887545815 /nfs/dbraw/zinc/54/58/15/887545815.db2.gz DVMANFRZDLMBPC-JTQLQIEISA-N 0 3 293.331 -1.608 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)CCc1c[nH]cn1 ZINC001369334157 887546499 /nfs/dbraw/zinc/54/64/99/887546499.db2.gz GRNFPFGZIOYVJW-SNVBAGLBSA-N 0 3 283.332 -1.845 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)CCc1cnc[nH]1 ZINC001369334157 887546515 /nfs/dbraw/zinc/54/65/15/887546515.db2.gz GRNFPFGZIOYVJW-SNVBAGLBSA-N 0 3 283.332 -1.845 20 0 CAADHN Cn1cncc1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001369334328 887547126 /nfs/dbraw/zinc/54/71/26/887547126.db2.gz DVMANFRZDLMBPC-SNVBAGLBSA-N 0 3 293.331 -1.608 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NCc1cnnn1C)N(C)C ZINC001369335899 887547300 /nfs/dbraw/zinc/54/73/00/887547300.db2.gz XWYYEEPDTQSQOM-ZYHUDNBSSA-N 0 3 298.391 -1.278 20 0 CAADHN Cn1cc(C(=O)NC[C@H](CO)NCCn2cncn2)nn1 ZINC001369332416 887548011 /nfs/dbraw/zinc/54/80/11/887548011.db2.gz MRNNEKPVJGCFQW-SECBINFHSA-N 0 3 294.319 -2.213 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCCN1C ZINC001369346923 887549370 /nfs/dbraw/zinc/54/93/70/887549370.db2.gz BMANLILKLNJQFD-NXEZZACHSA-N 0 3 272.349 -2.107 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)[C@H]1CCCN1C ZINC001369346927 887551055 /nfs/dbraw/zinc/55/10/55/887551055.db2.gz BMANLILKLNJQFD-VHSXEESVSA-N 0 3 272.349 -2.107 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NCC(=O)NC)N(C)C ZINC001369358515 887553078 /nfs/dbraw/zinc/55/30/78/887553078.db2.gz CJLNDYNIHSHTRW-UWVGGRQHSA-N 0 3 274.365 -1.861 20 0 CAADHN C[C@H](CN(C)C(=O)c1nnn(C)n1)NCC(=O)NC1CC1 ZINC001369357192 887554282 /nfs/dbraw/zinc/55/42/82/887554282.db2.gz ZMQVPQOTWWITAB-MRVPVSSYSA-N 0 3 295.347 -1.461 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1ncccn1 ZINC001369360051 887554615 /nfs/dbraw/zinc/55/46/15/887554615.db2.gz CGQGTUSJZBVAFL-SNVBAGLBSA-N 0 3 291.315 -1.551 20 0 CAADHN O=C(Cc1ncc[nH]1)NC[C@@H](CO)NCCn1cncn1 ZINC001369368569 887557535 /nfs/dbraw/zinc/55/75/35/887557535.db2.gz DIMYENYRKKDICY-JTQLQIEISA-N 0 3 293.331 -1.689 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCCC1=O)c1cnon1 ZINC001369363531 887557589 /nfs/dbraw/zinc/55/75/89/887557589.db2.gz MCWPZMKSLHVNIB-VIFPVBQESA-N 0 3 297.315 -1.628 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NCc1cnn(C)n1 ZINC001369374363 887561703 /nfs/dbraw/zinc/56/17/03/887561703.db2.gz MRUCEDCBAHHVBI-GFCCVEGCSA-N 0 3 298.391 -1.278 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCNC(N)=O)C1 ZINC001369400425 887563956 /nfs/dbraw/zinc/56/39/56/887563956.db2.gz OSFZEWLJGYYEDZ-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)c1nnn(C)n1 ZINC001369391621 887564068 /nfs/dbraw/zinc/56/40/68/887564068.db2.gz MJHVIEOWXMFXDP-BDAKNGLRSA-N 0 3 295.347 -1.509 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001369439455 887564096 /nfs/dbraw/zinc/56/40/96/887564096.db2.gz FFJIKNAAQKLLDG-JGVFFNPUSA-N 0 3 290.320 -2.375 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC1(C)C ZINC001369441084 887564112 /nfs/dbraw/zinc/56/41/12/887564112.db2.gz GINNWEFSOGGJEK-VHSXEESVSA-N 0 3 296.371 -1.162 20 0 CAADHN CC1(C)CN(C(=O)CNC(=O)C2CC2)C[C@H]1NCC(N)=O ZINC001369440366 887564531 /nfs/dbraw/zinc/56/45/31/887564531.db2.gz MGINNMIKYRFHDC-SNVBAGLBSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)CNC(=O)C2CC2)C[C@@H]1NCC(N)=O ZINC001369440360 887564832 /nfs/dbraw/zinc/56/48/32/887564832.db2.gz MGINNMIKYRFHDC-JTQLQIEISA-N 0 3 296.371 -1.176 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)Cn1cnnn1)C(N)=O ZINC001369441545 887564867 /nfs/dbraw/zinc/56/48/67/887564867.db2.gz LLKWCWZNTOHNOO-IUCAKERBSA-N 0 3 299.335 -2.654 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CN2CCCC2=O)C1 ZINC001369389528 887565289 /nfs/dbraw/zinc/56/52/89/887565289.db2.gz QVUAYJBJNHMOTR-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2nccnc2N)[C@H]1C ZINC001369386669 887565535 /nfs/dbraw/zinc/56/55/35/887565535.db2.gz LVFBQPBCKWXEEY-DTWKUNHWSA-N 0 3 292.343 -1.003 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cn1cccn1)C(N)=O ZINC001369435944 887565619 /nfs/dbraw/zinc/56/56/19/887565619.db2.gz AZTWWPDLENEIBQ-ZJUUUORDSA-N 0 3 283.332 -1.834 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001369439472 887566503 /nfs/dbraw/zinc/56/65/03/887566503.db2.gz FFJIKNAAQKLLDG-YUMQZZPRSA-N 0 3 290.320 -2.375 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)Cn1cnnn1)C(N)=O ZINC001369441522 887565920 /nfs/dbraw/zinc/56/59/20/887565920.db2.gz LLKWCWZNTOHNOO-BDAKNGLRSA-N 0 3 299.335 -2.654 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCCC(N)=O)[C@@H]1C ZINC001369412954 887566023 /nfs/dbraw/zinc/56/60/23/887566023.db2.gz YOWCGFGOKWNNPA-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cn1cccn1)C(N)=O ZINC001369435929 887566149 /nfs/dbraw/zinc/56/61/49/887566149.db2.gz AZTWWPDLENEIBQ-NXEZZACHSA-N 0 3 283.332 -1.834 20 0 CAADHN CN(C[C@H](O)CNCc1cnnn1C)C(=O)c1ccn[nH]1 ZINC001369442501 887566174 /nfs/dbraw/zinc/56/61/74/887566174.db2.gz BVUJVYCIZUDVFP-SNVBAGLBSA-N 0 3 293.331 -1.239 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](O)CN(C)C(=O)CC ZINC001369440833 887566258 /nfs/dbraw/zinc/56/62/58/887566258.db2.gz ICWXCINLSOGYQK-SECBINFHSA-N 0 3 288.348 -1.349 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cn1cccn1)C(N)=O ZINC001369435935 887566297 /nfs/dbraw/zinc/56/62/97/887566297.db2.gz AZTWWPDLENEIBQ-UWVGGRQHSA-N 0 3 283.332 -1.834 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NCc1nnnn1C)N(C)C ZINC001369385040 887566313 /nfs/dbraw/zinc/56/63/13/887566313.db2.gz UXCJRUXKRUJMHT-UWVGGRQHSA-N 0 3 299.379 -1.883 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCCC(N)=O)[C@H]1C ZINC001369412956 887566359 /nfs/dbraw/zinc/56/63/59/887566359.db2.gz YOWCGFGOKWNNPA-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001369387786 887566411 /nfs/dbraw/zinc/56/64/11/887566411.db2.gz HHXGXBAZWTUMFV-IONNQARKSA-N 0 3 299.331 -2.104 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NCc1nnnn1C)N(C)C ZINC001369385034 887566529 /nfs/dbraw/zinc/56/65/29/887566529.db2.gz UXCJRUXKRUJMHT-NXEZZACHSA-N 0 3 299.379 -1.883 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NCc1nnnn1C)N(C)C ZINC001369385054 887566813 /nfs/dbraw/zinc/56/68/13/887566813.db2.gz UXCJRUXKRUJMHT-ZJUUUORDSA-N 0 3 299.379 -1.883 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001369455067 887567861 /nfs/dbraw/zinc/56/78/61/887567861.db2.gz JDIOIHSGNXALJO-VIFPVBQESA-N 0 3 298.347 -2.074 20 0 CAADHN COC1(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)CCC1 ZINC001369454028 887567929 /nfs/dbraw/zinc/56/79/29/887567929.db2.gz GLFCIGYYJJNJEC-JTQLQIEISA-N 0 3 287.360 -1.160 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C1=COCCO1 ZINC001369450324 887567963 /nfs/dbraw/zinc/56/79/63/887567963.db2.gz FOMOBZVQEDKWJZ-MRVPVSSYSA-N 0 3 273.289 -2.231 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CC[C@H]1CCCO1 ZINC001369448643 887568023 /nfs/dbraw/zinc/56/80/23/887568023.db2.gz LSSKVFZWGVWBHN-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)Cc1cc[nH]n1)C(N)=O ZINC001369452821 887568235 /nfs/dbraw/zinc/56/82/35/887568235.db2.gz SMVBXTZBOQAQSS-WDEREUQCSA-N 0 3 297.359 -1.375 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1ccon1)C(N)=O ZINC001369455983 887568306 /nfs/dbraw/zinc/56/83/06/887568306.db2.gz PXXJCKSQGOURFN-BDAKNGLRSA-N 0 3 284.316 -1.039 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CC1(C)C ZINC001369451852 887568320 /nfs/dbraw/zinc/56/83/20/887568320.db2.gz XIJRBRJCXOMHKV-RKDXNWHRSA-N 0 3 298.343 -1.333 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1)C(N)=O ZINC001369452816 887568388 /nfs/dbraw/zinc/56/83/88/887568388.db2.gz SMVBXTZBOQAQSS-MNOVXSKESA-N 0 3 297.359 -1.375 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n(C)n1 ZINC001369454418 887568404 /nfs/dbraw/zinc/56/84/04/887568404.db2.gz LFJFOHYGZVLGJK-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1)C(N)=O ZINC001369452811 887568452 /nfs/dbraw/zinc/56/84/52/887568452.db2.gz SMVBXTZBOQAQSS-GHMZBOCLSA-N 0 3 297.359 -1.375 20 0 CAADHN Cc1[nH]nc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)c1C ZINC001369454763 887568469 /nfs/dbraw/zinc/56/84/69/887568469.db2.gz XRAKGWDXOGYQSO-NXEZZACHSA-N 0 3 297.359 -1.077 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccccn1 ZINC001369447773 887568483 /nfs/dbraw/zinc/56/84/83/887568483.db2.gz BBVYXBHWQJRBSS-MNOVXSKESA-N 0 3 292.339 -1.007 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)[C@@H]1CCCO1 ZINC001369453841 887568496 /nfs/dbraw/zinc/56/84/96/887568496.db2.gz LYFOIHIFHHBHFZ-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1c[nH]c(C)n1 ZINC001369451873 887568671 /nfs/dbraw/zinc/56/86/71/887568671.db2.gz QUDNXUXABJFQEN-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CN1CCCC1=O ZINC001369446565 887568871 /nfs/dbraw/zinc/56/88/71/887568871.db2.gz RYNBXTHVVICAMY-SECBINFHSA-N 0 3 286.332 -2.497 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001369449485 887568968 /nfs/dbraw/zinc/56/89/68/887568968.db2.gz SNJOPBOGQKDGMM-JGVFFNPUSA-N 0 3 285.348 -1.645 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)[C@H]2COC(=O)N2)CC1(C)C ZINC001369451813 887569044 /nfs/dbraw/zinc/56/90/44/887569044.db2.gz XIJRBRJCXOMHKV-BDAKNGLRSA-N 0 3 298.343 -1.333 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)no1 ZINC001369450969 887569158 /nfs/dbraw/zinc/56/91/58/887569158.db2.gz HISWJRRDEYHMFM-RKDXNWHRSA-N 0 3 284.316 -1.121 20 0 CAADHN Cc1[nH]nc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)c1C ZINC001369454770 887569432 /nfs/dbraw/zinc/56/94/32/887569432.db2.gz XRAKGWDXOGYQSO-ZJUUUORDSA-N 0 3 297.359 -1.077 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)ns1 ZINC001369453169 887569541 /nfs/dbraw/zinc/56/95/41/887569541.db2.gz CGXKPWSNYGYXAF-MRVPVSSYSA-N 0 3 286.357 -1.041 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001369446445 887569806 /nfs/dbraw/zinc/56/98/06/887569806.db2.gz IIHVZDLWILIGBI-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cncnc1 ZINC001369456509 887569832 /nfs/dbraw/zinc/56/98/32/887569832.db2.gz PGZMTWVZMTUYAT-GHMZBOCLSA-N 0 3 293.327 -1.612 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001369454442 887570049 /nfs/dbraw/zinc/57/00/49/887570049.db2.gz HTGUQSRPRWXSLC-JTQLQIEISA-N 0 3 298.347 -2.177 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1c[nH]c(C)n1 ZINC001369452889 887570323 /nfs/dbraw/zinc/57/03/23/887570323.db2.gz SXWYVPJGZYFCIQ-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)COCC1CC1 ZINC001369452863 887570375 /nfs/dbraw/zinc/57/03/75/887570375.db2.gz UDYXXQGDQSYJOD-NEPJUHHUSA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)CC(C)(C)O)C(N)=O ZINC001369456095 887570454 /nfs/dbraw/zinc/57/04/54/887570454.db2.gz NPXADNWVRXSITO-VHSXEESVSA-N 0 3 289.376 -1.180 20 0 CAADHN Cc1ncoc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001369456035 887570924 /nfs/dbraw/zinc/57/09/24/887570924.db2.gz ASUPTNBBOYGNMY-RKDXNWHRSA-N 0 3 284.316 -1.121 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)Cc1cc[nH]n1)C(N)=O ZINC001369452820 887571033 /nfs/dbraw/zinc/57/10/33/887571033.db2.gz SMVBXTZBOQAQSS-QWRGUYRKSA-N 0 3 297.359 -1.375 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001369469446 887571951 /nfs/dbraw/zinc/57/19/51/887571951.db2.gz HVKNMSZKBYOSJB-VHSXEESVSA-N 0 3 295.343 -1.366 20 0 CAADHN Cc1ccnc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001369459194 887572051 /nfs/dbraw/zinc/57/20/51/887572051.db2.gz ZXDSHJNVOUGXJD-UWVGGRQHSA-N 0 3 295.343 -1.319 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccc(F)cn1 ZINC001369457460 887572096 /nfs/dbraw/zinc/57/20/96/887572096.db2.gz BRFWDSHVUXKWGG-VIFPVBQESA-N 0 3 284.291 -1.272 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C1=COCCC1 ZINC001369457342 887572212 /nfs/dbraw/zinc/57/22/12/887572212.db2.gz STNQBGFAPAPXTD-JTQLQIEISA-N 0 3 271.317 -1.425 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@H]1CCCCO1 ZINC001369457265 887572248 /nfs/dbraw/zinc/57/22/48/887572248.db2.gz DSAJHVYIVAQFQL-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001369470995 887572693 /nfs/dbraw/zinc/57/26/93/887572693.db2.gz JKVMCDSBDWHRTA-IVZWLZJFSA-N 0 3 295.343 -1.593 20 0 CAADHN CCn1nncc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001369463080 887572720 /nfs/dbraw/zinc/57/27/20/887572720.db2.gz ZVYUOZQNGPABCZ-IUCAKERBSA-N 0 3 298.347 -1.806 20 0 CAADHN CCn1nncc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001369463076 887572820 /nfs/dbraw/zinc/57/28/20/887572820.db2.gz ZVYUOZQNGPABCZ-BDAKNGLRSA-N 0 3 298.347 -1.806 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001369468528 887573001 /nfs/dbraw/zinc/57/30/01/887573001.db2.gz CTMHCFZQKDOYSF-KOLCDFICSA-N 0 3 297.359 -1.504 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CCc1ccon1 ZINC001369471762 887573084 /nfs/dbraw/zinc/57/30/84/887573084.db2.gz UECZAWFRZCPXBD-NSHDSACASA-N 0 3 298.343 -1.238 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cc(C)n[nH]1 ZINC001369457902 887573672 /nfs/dbraw/zinc/57/36/72/887573672.db2.gz UTRBFDQBBXBVBF-ZJUUUORDSA-N 0 3 297.359 -1.125 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001369468289 887573853 /nfs/dbraw/zinc/57/38/53/887573853.db2.gz KFVRCPNFQIMSPH-JGVFFNPUSA-N 0 3 297.319 -2.879 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001369468031 887574070 /nfs/dbraw/zinc/57/40/70/887574070.db2.gz IHCDRAXASKBNIX-MRVPVSSYSA-N 0 3 299.335 -2.679 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccc(C)nn1 ZINC001369458597 887574088 /nfs/dbraw/zinc/57/40/88/887574088.db2.gz BVLBAWAFKHIPPJ-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN CCn1nncc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001369462797 887574161 /nfs/dbraw/zinc/57/41/61/887574161.db2.gz YHUUOKRVURPDSL-MRVPVSSYSA-N 0 3 284.320 -2.194 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ocnc1C ZINC001369463496 887574426 /nfs/dbraw/zinc/57/44/26/887574426.db2.gz XUZZQFXBQJVRKD-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ncn(C)n1 ZINC001369461303 887574593 /nfs/dbraw/zinc/57/45/93/887574593.db2.gz PKFACROJTDBYSC-SSDOTTSWSA-N 0 3 270.293 -2.677 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CO[C@@H]1CCOC1 ZINC001369465525 887574888 /nfs/dbraw/zinc/57/48/88/887574888.db2.gz HACZRDOBVAPDGE-NXEZZACHSA-N 0 3 289.332 -2.314 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cc1ccn(C)n1 ZINC001369469780 887574925 /nfs/dbraw/zinc/57/49/25/887574925.db2.gz OMMYMFFPRVQWEA-JTQLQIEISA-N 0 3 283.332 -2.143 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CCc1ccon1 ZINC001369471760 887574960 /nfs/dbraw/zinc/57/49/60/887574960.db2.gz UECZAWFRZCPXBD-LLVKDONJSA-N 0 3 298.343 -1.238 20 0 CAADHN Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001369478608 887575868 /nfs/dbraw/zinc/57/58/68/887575868.db2.gz ZLDROMDTOPFQLY-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)CCn1cnnn1)C(N)=O ZINC001369485766 887576225 /nfs/dbraw/zinc/57/62/25/887576225.db2.gz RUQXRRBHKIQNTK-DTWKUNHWSA-N 0 3 299.335 -2.654 20 0 CAADHN Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001369473478 887576447 /nfs/dbraw/zinc/57/64/47/887576447.db2.gz UQIYEINJCAHVQM-ZJUUUORDSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001369477980 887576489 /nfs/dbraw/zinc/57/64/89/887576489.db2.gz WXBNAGHSQQLIKL-NSHDSACASA-N 0 3 295.343 -1.413 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001369474840 887576936 /nfs/dbraw/zinc/57/69/36/887576936.db2.gz NVPIGQRAQBTEAB-VIFPVBQESA-N 0 3 298.347 -1.647 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001369483355 887577117 /nfs/dbraw/zinc/57/71/17/887577117.db2.gz MYSUMMVCUSUICS-VIFPVBQESA-N 0 3 281.316 -1.755 20 0 CAADHN Cc1ncn(C)c1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001369478593 887577416 /nfs/dbraw/zinc/57/74/16/887577416.db2.gz ZLDROMDTOPFQLY-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1cnn(C)n1 ZINC001369473524 887577584 /nfs/dbraw/zinc/57/75/84/887577584.db2.gz HGCBKGRAMAAPOB-SNVBAGLBSA-N 0 3 298.347 -2.358 20 0 CAADHN Cc1nonc1CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001369483461 887577688 /nfs/dbraw/zinc/57/76/88/887577688.db2.gz OAGHHEIQMVVJBZ-IUCAKERBSA-N 0 3 299.331 -1.797 20 0 CAADHN Cc1cnn(C)c1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001369474726 887578078 /nfs/dbraw/zinc/57/80/78/887578078.db2.gz WYTWMCGSLISHAU-VHSXEESVSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001369472727 887578140 /nfs/dbraw/zinc/57/81/40/887578140.db2.gz KBPMDHYZUGFUPW-HTQZYQBOSA-N 0 3 287.320 -3.096 20 0 CAADHN Cc1cnn(C)c1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001369474728 887578623 /nfs/dbraw/zinc/57/86/23/887578623.db2.gz WYTWMCGSLISHAU-ZJUUUORDSA-N 0 3 297.359 -1.375 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001369472799 887578678 /nfs/dbraw/zinc/57/86/78/887578678.db2.gz KMDKIDKHESGDBE-DTWKUNHWSA-N 0 3 288.348 -2.347 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001369472801 887578899 /nfs/dbraw/zinc/57/88/99/887578899.db2.gz KMDKIDKHESGDBE-IUCAKERBSA-N 0 3 288.348 -2.347 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)CC(N)=O ZINC001369472797 887579088 /nfs/dbraw/zinc/57/90/88/887579088.db2.gz KMDKIDKHESGDBE-BDAKNGLRSA-N 0 3 288.348 -2.347 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001369495824 887581476 /nfs/dbraw/zinc/58/14/76/887581476.db2.gz QBZNTDNIMOHXFB-NSHDSACASA-N 0 3 270.333 -1.374 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001369516064 887583086 /nfs/dbraw/zinc/58/30/86/887583086.db2.gz ZLDVSDTVCREFMY-JTQLQIEISA-N 0 3 298.343 -1.863 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001369738128 887588039 /nfs/dbraw/zinc/58/80/39/887588039.db2.gz RUDXHQVRZJQFFW-UWVGGRQHSA-N 0 3 295.347 -1.482 20 0 CAADHN NC(=O)C[NH+]1CCN(CCNC(=O)c2ncn[n-]2)CC1 ZINC001369924283 887594280 /nfs/dbraw/zinc/59/42/80/887594280.db2.gz CARUMNOFNFELAU-UHFFFAOYSA-N 0 3 281.320 -2.363 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NC(=O)COC)N(C)C ZINC001370757085 887633999 /nfs/dbraw/zinc/63/39/99/887633999.db2.gz NVNUQRUDRVDTFX-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001370047486 887598928 /nfs/dbraw/zinc/59/89/28/887598928.db2.gz UKAJWWWGDUTTFQ-WDEREUQCSA-N 0 3 283.332 -1.524 20 0 CAADHN COCC(=O)NCCC(=O)N[C@H]1CCN(C[C@H](C)O)C1 ZINC001369978046 887600167 /nfs/dbraw/zinc/60/01/67/887600167.db2.gz PUXOHYSNCSFUBJ-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)CCn2ccnn2)C1 ZINC001369977347 887600368 /nfs/dbraw/zinc/60/03/68/887600368.db2.gz LITRVJPGUMLJMI-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001370033402 887600610 /nfs/dbraw/zinc/60/06/10/887600610.db2.gz QFNZHZDFGZQOGO-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C1CC1 ZINC001370168881 887602175 /nfs/dbraw/zinc/60/21/75/887602175.db2.gz BDXCJINISUIYRS-PSASIEDQSA-N 0 3 299.375 -1.336 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](NCc1cnnn1C)C1CC1 ZINC001370130105 887602207 /nfs/dbraw/zinc/60/22/07/887602207.db2.gz QDDBWSRMDGNNBQ-LBPRGKRZSA-N 0 3 294.359 -1.064 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC1 ZINC001370229960 887602589 /nfs/dbraw/zinc/60/25/89/887602589.db2.gz ZUMWYHQARVTQFS-OUAUKWLOSA-N 0 3 296.371 -1.142 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001370174598 887602612 /nfs/dbraw/zinc/60/26/12/887602612.db2.gz JSQZYJWYGHMADA-UWVGGRQHSA-N 0 3 293.331 -1.954 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001370133718 887602684 /nfs/dbraw/zinc/60/26/84/887602684.db2.gz RFNSTPNGRPVGDO-VHSXEESVSA-N 0 3 298.343 -1.285 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](NCC(N)=O)C2CC2)nn1 ZINC001370259007 887602710 /nfs/dbraw/zinc/60/27/10/887602710.db2.gz QRJSUMZCWUSYBW-SECBINFHSA-N 0 3 280.332 -1.119 20 0 CAADHN C[C@H](C(=O)NC[C@H](NCC(N)=O)C1CC1)S(C)(=O)=O ZINC001370200410 887602894 /nfs/dbraw/zinc/60/28/94/887602894.db2.gz JBQXMFQYPSKNFG-APPZFPTMSA-N 0 3 291.373 -1.611 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](N[C@@H](C)C(N)=O)C1CC1 ZINC001370128744 887602962 /nfs/dbraw/zinc/60/29/62/887602962.db2.gz GRPOHWHJDLXIJS-CBAPKCEASA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)CCn1cnnn1)C1CC1)C(N)=O ZINC001370273546 887603063 /nfs/dbraw/zinc/60/30/63/887603063.db2.gz OHBUREFYUZBWTP-PSASIEDQSA-N 0 3 295.347 -1.579 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C[C@H](C)NC(N)=O)C1CC1 ZINC001370168886 887603173 /nfs/dbraw/zinc/60/31/73/887603173.db2.gz BDXCJINISUIYRS-WCBMZHEXSA-N 0 3 299.375 -1.336 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001370178201 887603542 /nfs/dbraw/zinc/60/35/42/887603542.db2.gz OMNYSRKWMOAPGX-VHSXEESVSA-N 0 3 297.359 -1.712 20 0 CAADHN C[C@@H](C(=O)NC[C@H](NCC(N)=O)C1CC1)S(C)(=O)=O ZINC001370200417 887603561 /nfs/dbraw/zinc/60/35/61/887603561.db2.gz JBQXMFQYPSKNFG-CBAPKCEASA-N 0 3 291.373 -1.611 20 0 CAADHN Cn1cc(C(=O)NC[C@H](NCC(N)=O)C2CC2)n(C)c1=O ZINC001370269104 887603760 /nfs/dbraw/zinc/60/37/60/887603760.db2.gz AGMOJNZNFXGYHV-VIFPVBQESA-N 0 3 295.343 -1.693 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](N[C@H](C)C(N)=O)C1CC1 ZINC001370149600 887603982 /nfs/dbraw/zinc/60/39/82/887603982.db2.gz NHILNWMDVZJWMT-SCZZXKLOSA-N 0 3 284.360 -1.129 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001370174568 887604005 /nfs/dbraw/zinc/60/40/05/887604005.db2.gz JSQZYJWYGHMADA-NXEZZACHSA-N 0 3 293.331 -1.954 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001370353873 887604673 /nfs/dbraw/zinc/60/46/73/887604673.db2.gz DIINXZGLWGZTKY-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001370366503 887605350 /nfs/dbraw/zinc/60/53/50/887605350.db2.gz ZCGPOMVBRFYNCC-VIFPVBQESA-N 0 3 279.300 -1.268 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001370394483 887605472 /nfs/dbraw/zinc/60/54/72/887605472.db2.gz YAOIHDIHMJCQFF-DTWKUNHWSA-N 0 3 283.332 -2.006 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001370357661 887605544 /nfs/dbraw/zinc/60/55/44/887605544.db2.gz UPFIAAZJLWAKEQ-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001370370988 887605576 /nfs/dbraw/zinc/60/55/76/887605576.db2.gz HTQJSPVPFXJFBJ-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001370361377 887605614 /nfs/dbraw/zinc/60/56/14/887605614.db2.gz CDBSVAJVEUBFLM-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001370404770 887605654 /nfs/dbraw/zinc/60/56/54/887605654.db2.gz KDSNZMBOJRTSNA-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001370359143 887605684 /nfs/dbraw/zinc/60/56/84/887605684.db2.gz XTJGYOLFCDNCES-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CNS(=O)(=O)CCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001370365754 887605800 /nfs/dbraw/zinc/60/58/00/887605800.db2.gz MIZBAHPIROLPKT-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN Cc1c[nH]nc1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001370368993 887605828 /nfs/dbraw/zinc/60/58/28/887605828.db2.gz YMGJGFZFTNMQAK-QMMMGPOBSA-N 0 3 294.315 -1.283 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001370394467 887605904 /nfs/dbraw/zinc/60/59/04/887605904.db2.gz ZEAIGJHSVBIVMM-QWRGUYRKSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001370394572 887605969 /nfs/dbraw/zinc/60/59/69/887605969.db2.gz ZRKJDZCVGNKSKR-BDAKNGLRSA-N 0 3 293.327 -1.292 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC001370405222 887606195 /nfs/dbraw/zinc/60/61/95/887606195.db2.gz OASVNVBSPFZNPH-JTQLQIEISA-N 0 3 279.344 -1.101 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)COC)C1 ZINC001370339205 887606234 /nfs/dbraw/zinc/60/62/34/887606234.db2.gz KJTXEQPYZYZESH-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001370394469 887606246 /nfs/dbraw/zinc/60/62/46/887606246.db2.gz ZEAIGJHSVBIVMM-WDEREUQCSA-N 0 3 296.371 -1.020 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001370358650 887606264 /nfs/dbraw/zinc/60/62/64/887606264.db2.gz VFXWDYITUGRCMU-WDEREUQCSA-N 0 3 285.344 -1.320 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001370365765 887606460 /nfs/dbraw/zinc/60/64/60/887606460.db2.gz MPYHLUNJOJNXKZ-DTWKUNHWSA-N 0 3 284.316 -1.579 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)Cn2cnnn2)C1)NC1CC1 ZINC001370348638 887606551 /nfs/dbraw/zinc/60/65/51/887606551.db2.gz SEIQMNUERFCAHR-JTQLQIEISA-N 0 3 293.331 -1.858 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001370359141 887606596 /nfs/dbraw/zinc/60/65/96/887606596.db2.gz XTJGYOLFCDNCES-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001370346344 887606665 /nfs/dbraw/zinc/60/66/65/887606665.db2.gz CHJVXQCWGDHUFH-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001370531950 887611540 /nfs/dbraw/zinc/61/15/40/887611540.db2.gz GUMVWCZDGACFDD-IWSPIJDZSA-N 0 3 280.332 -1.282 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](CO)NC(=O)c1cn[nH]c1 ZINC001370708161 887630082 /nfs/dbraw/zinc/63/00/82/887630082.db2.gz ZDOUJPQDLLJBHS-NSHDSACASA-N 0 3 297.359 -1.042 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c1cn[nH]c1)N(C)C ZINC001370750048 887632001 /nfs/dbraw/zinc/63/20/01/887632001.db2.gz HPYNOBLDHAEGHS-MNOVXSKESA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c1cnon1)N(C)C ZINC001370763936 887632157 /nfs/dbraw/zinc/63/21/57/887632157.db2.gz XZNSMVUGWZQSQQ-SCZZXKLOSA-N 0 3 299.331 -1.383 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](CO)NC(=O)c1cnon1 ZINC001370754007 887632414 /nfs/dbraw/zinc/63/24/14/887632414.db2.gz DBWURZPAEOYAEM-SECBINFHSA-N 0 3 299.331 -1.382 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NC(=O)COC)N(C)C ZINC001370757084 887632766 /nfs/dbraw/zinc/63/27/66/887632766.db2.gz NVNUQRUDRVDTFX-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](CO)NC(=O)c1ccn[nH]1 ZINC001370757808 887633317 /nfs/dbraw/zinc/63/33/17/887633317.db2.gz JWPSKKNZABQHJO-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NC(=O)c1cn[nH]c1)N(C)C ZINC001370750047 887633634 /nfs/dbraw/zinc/63/36/34/887633634.db2.gz HPYNOBLDHAEGHS-GHMZBOCLSA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NC(=O)COC)N(C)C ZINC001370757082 887633811 /nfs/dbraw/zinc/63/38/11/887633811.db2.gz NVNUQRUDRVDTFX-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN COCC(=O)N[C@@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC001370802045 887638286 /nfs/dbraw/zinc/63/82/86/887638286.db2.gz GGVNZADKYBTHJS-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN COCC(=O)N[C@@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001370802059 887638595 /nfs/dbraw/zinc/63/85/95/887638595.db2.gz GGVNZADKYBTHJS-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1COC(=O)N1 ZINC001370908399 887638632 /nfs/dbraw/zinc/63/86/32/887638632.db2.gz JYDOFRBGUHOADP-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001370908398 887639522 /nfs/dbraw/zinc/63/95/22/887639522.db2.gz JYDOFRBGUHOADP-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001370967561 887642048 /nfs/dbraw/zinc/64/20/48/887642048.db2.gz QHXUHALDEYWIJD-KLIJAQQISA-N 0 3 294.355 -1.554 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001370967566 887643398 /nfs/dbraw/zinc/64/33/98/887643398.db2.gz QHXUHALDEYWIJD-KXMNOHPDSA-N 0 3 294.355 -1.554 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)NCC1CC1 ZINC001371159433 887647505 /nfs/dbraw/zinc/64/75/05/887647505.db2.gz LVMNKTLJWRMVPJ-IUCAKERBSA-N 0 3 299.375 -1.336 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCO1 ZINC001371104098 887647628 /nfs/dbraw/zinc/64/76/28/887647628.db2.gz MKZRKYSZWHUIEF-DTWKUNHWSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@@H](C)C(=O)NC1CC1 ZINC001371108849 887647719 /nfs/dbraw/zinc/64/77/19/887647719.db2.gz WEGLMEGJNJLZCZ-BDAKNGLRSA-N 0 3 295.347 -1.566 20 0 CAADHN CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)Cn1cnnn1 ZINC001371101378 887648056 /nfs/dbraw/zinc/64/80/56/887648056.db2.gz GSYYDCITOAMSLU-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cnccn1 ZINC001371088844 887648078 /nfs/dbraw/zinc/64/80/78/887648078.db2.gz GXEMUMVZKSEVPX-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)cn1)N[C@H](C)C(=O)NC(N)=O ZINC001371141251 887648177 /nfs/dbraw/zinc/64/81/77/887648177.db2.gz DKYVMSKSOFRAJF-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001371130297 887648191 /nfs/dbraw/zinc/64/81/91/887648191.db2.gz SIAOFJQFZGDOCU-SFYZADRCSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@H](C)C(=O)NC1CC1 ZINC001371108852 887648263 /nfs/dbraw/zinc/64/82/63/887648263.db2.gz WEGLMEGJNJLZCZ-RKDXNWHRSA-N 0 3 295.347 -1.566 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)CNC(C)=O ZINC001371096614 887648349 /nfs/dbraw/zinc/64/83/49/887648349.db2.gz XGKLMHJXCCFCQL-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN COC[C@@H](C)C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001371138292 887648644 /nfs/dbraw/zinc/64/86/44/887648644.db2.gz ZWWINAZDGSYKRR-HTQZYQBOSA-N 0 3 274.321 -1.442 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)c1nnn(C)c1C ZINC001371147286 887648908 /nfs/dbraw/zinc/64/89/08/887648908.db2.gz JQEDPWCKUZUJCG-MRVPVSSYSA-N 0 3 282.348 -1.032 20 0 CAADHN COCCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC(N)=O ZINC001371088816 887649036 /nfs/dbraw/zinc/64/90/36/887649036.db2.gz PGCLYYSVNKWCGA-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)N1CCCC1 ZINC001371141932 887649107 /nfs/dbraw/zinc/64/91/07/887649107.db2.gz RESURBIRDGTFDE-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001371144693 887649173 /nfs/dbraw/zinc/64/91/73/887649173.db2.gz WJWGWMVCTHXTFW-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCO1 ZINC001371104095 887649527 /nfs/dbraw/zinc/64/95/27/887649527.db2.gz MKZRKYSZWHUIEF-BDAKNGLRSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)NCC(=O)NCC1CC1 ZINC001371104631 887649262 /nfs/dbraw/zinc/64/92/62/887649262.db2.gz NUYOQNKVASXRET-SECBINFHSA-N 0 3 295.347 -1.706 20 0 CAADHN COCC(=O)NC[C@@H](C)NCc1cc(=O)n(C)c(=O)n1C ZINC001371086470 887649323 /nfs/dbraw/zinc/64/93/23/887649323.db2.gz JWGGIZRTBFHINN-SECBINFHSA-N 0 3 298.343 -1.675 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)N[C@H](C)C(N)=O ZINC001371108800 887649434 /nfs/dbraw/zinc/64/94/34/887649434.db2.gz VAUUDBYQVSQRGI-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](OC)C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001371132819 887649693 /nfs/dbraw/zinc/64/96/93/887649693.db2.gz LXEJULYHTHSUBZ-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN Cc1c(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)cnn1C ZINC001371114644 887649744 /nfs/dbraw/zinc/64/97/44/887649744.db2.gz JBNCFXZXDHMCLL-SSDOTTSWSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)cn1)N[C@@H](C)C(=O)NC(N)=O ZINC001371141256 887649922 /nfs/dbraw/zinc/64/99/22/887649922.db2.gz DKYVMSKSOFRAJF-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)cn1)N[C@@H](C)C(=O)NC(N)=O ZINC001371141255 887649933 /nfs/dbraw/zinc/64/99/33/887649933.db2.gz DKYVMSKSOFRAJF-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cc2n(n1)CCO2 ZINC001371209471 887651416 /nfs/dbraw/zinc/65/14/16/887651416.db2.gz BVJBXVLNNTVBTR-MRVPVSSYSA-N 0 3 281.316 -1.271 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cc2n(n1)CCO2 ZINC001371209475 887651543 /nfs/dbraw/zinc/65/15/43/887651543.db2.gz BVJBXVLNNTVBTR-QMMMGPOBSA-N 0 3 281.316 -1.271 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NCCS(C)(=O)=O ZINC001371165739 887652063 /nfs/dbraw/zinc/65/20/63/887652063.db2.gz AXBNFANVBOZQEJ-SFYZADRCSA-N 0 3 293.345 -1.766 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001371206152 887652116 /nfs/dbraw/zinc/65/21/16/887652116.db2.gz MJSGKUJRABAVAK-MRVPVSSYSA-N 0 3 273.337 -1.902 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001371234920 887652260 /nfs/dbraw/zinc/65/22/60/887652260.db2.gz IGEONEDQDIKVCA-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001371201370 887652400 /nfs/dbraw/zinc/65/24/00/887652400.db2.gz LPPLIHRSIVEAKB-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)CNC(=O)NC ZINC001371207450 887652574 /nfs/dbraw/zinc/65/25/74/887652574.db2.gz OFYQXUBVAJGMLL-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CN1CCCNC1=O ZINC001371249114 887652615 /nfs/dbraw/zinc/65/26/15/887652615.db2.gz AJJAEFWJOILSDR-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)NCc1cncn1C ZINC001371178572 887652822 /nfs/dbraw/zinc/65/28/22/887652822.db2.gz MSOCDUPTTNCUSC-VIFPVBQESA-N 0 3 278.320 -1.299 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCCNC1=O ZINC001371206015 887652922 /nfs/dbraw/zinc/65/29/22/887652922.db2.gz LFAOWFQAFAOOSU-RKDXNWHRSA-N 0 3 285.348 -1.712 20 0 CAADHN C[C@H](CNC(=O)c1cnnn1C)N[C@H]1CCCNC1=O ZINC001371165790 887653007 /nfs/dbraw/zinc/65/30/07/887653007.db2.gz BBEOLEARBKNOSK-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001371234947 887653289 /nfs/dbraw/zinc/65/32/89/887653289.db2.gz IGEONEDQDIKVCA-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001371258224 887654690 /nfs/dbraw/zinc/65/46/90/887654690.db2.gz GJBRAKIIGKAAQE-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001371296824 887654856 /nfs/dbraw/zinc/65/48/56/887654856.db2.gz DOZKVJXDSMWVAB-MRVPVSSYSA-N 0 3 296.331 -1.519 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C(C)(C)CNC(C)=O ZINC001371377389 887655832 /nfs/dbraw/zinc/65/58/32/887655832.db2.gz NFNLXFBZJWUFKU-VIFPVBQESA-N 0 3 286.376 -1.011 20 0 CAADHN C[C@H](CNC(=O)c1ccc2nnnn2c1)N[C@@H](C)C(N)=O ZINC001371278997 887655601 /nfs/dbraw/zinc/65/56/01/887655601.db2.gz OMCHQOPHJFKWJV-SFYZADRCSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ccc2nnnn2c1)C(N)=O ZINC001371278995 887655729 /nfs/dbraw/zinc/65/57/29/887655729.db2.gz OMCHQOPHJFKWJV-JGVFFNPUSA-N 0 3 291.315 -1.294 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)COCc1ccnn1C ZINC001371253110 887655859 /nfs/dbraw/zinc/65/58/59/887655859.db2.gz XRFAXHNFJJODSB-JTQLQIEISA-N 0 3 297.359 -1.223 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@@H](C)C(=O)N(C)C ZINC001371311285 887655996 /nfs/dbraw/zinc/65/59/96/887655996.db2.gz NHYNJVWUFFJIPW-SFYZADRCSA-N 0 3 283.336 -1.605 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)NCC(=O)NC1CC1 ZINC001371261581 887656010 /nfs/dbraw/zinc/65/60/10/887656010.db2.gz JOSSQJRSTACHSL-VHSXEESVSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)NCC(=O)NC1CC1 ZINC001371261572 887656050 /nfs/dbraw/zinc/65/60/50/887656050.db2.gz JOSSQJRSTACHSL-UWVGGRQHSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CNC(=O)c1ccnnc1)NCC(=O)NC(N)=O ZINC001371356867 887656140 /nfs/dbraw/zinc/65/61/40/887656140.db2.gz BSIRKIFIYIIBSG-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@@H]1CCN(C)C1=O ZINC001371350854 887656169 /nfs/dbraw/zinc/65/61/69/887656169.db2.gz UHPWKMBAMJCZNJ-RKDXNWHRSA-N 0 3 293.327 -1.292 20 0 CAADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)N[C@@H](C)C(N)=O ZINC001371304520 887656338 /nfs/dbraw/zinc/65/63/38/887656338.db2.gz FIAXQINUNGVBIF-BDAKNGLRSA-N 0 3 285.348 -2.614 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)NCC(=O)NC1CC1 ZINC001371261563 887656411 /nfs/dbraw/zinc/65/64/11/887656411.db2.gz JOSSQJRSTACHSL-NXEZZACHSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccn2nnnc2c1 ZINC001371304939 887656572 /nfs/dbraw/zinc/65/65/72/887656572.db2.gz GGJWDXOZMNOACZ-MRVPVSSYSA-N 0 3 291.315 -1.422 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1O ZINC001371447585 887658263 /nfs/dbraw/zinc/65/82/63/887658263.db2.gz XZJQPPVGQDZCMM-VXGBXAGGSA-N 0 3 299.371 -1.195 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001371446213 887658282 /nfs/dbraw/zinc/65/82/82/887658282.db2.gz CPMAFZGOCWLULX-RKDXNWHRSA-N 0 3 295.343 -1.248 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)N[C@H]1CCCN(C)C1=O ZINC001371446139 887658434 /nfs/dbraw/zinc/65/84/34/887658434.db2.gz CHRWGCZZGIYKSL-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001371446185 887658819 /nfs/dbraw/zinc/65/88/19/887658819.db2.gz CPMAFZGOCWLULX-DTWKUNHWSA-N 0 3 295.343 -1.248 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001371414477 887658896 /nfs/dbraw/zinc/65/88/96/887658896.db2.gz BJKQKAORNIWMLX-UWVGGRQHSA-N 0 3 284.360 -1.116 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001371448636 887658961 /nfs/dbraw/zinc/65/89/61/887658961.db2.gz IULPHIUCYLYTBM-DTWKUNHWSA-N 0 3 295.343 -1.377 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001371448637 887659083 /nfs/dbraw/zinc/65/90/83/887659083.db2.gz IULPHIUCYLYTBM-IUCAKERBSA-N 0 3 295.343 -1.377 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001371448638 887659165 /nfs/dbraw/zinc/65/91/65/887659165.db2.gz IULPHIUCYLYTBM-RKDXNWHRSA-N 0 3 295.343 -1.377 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)CCn2cnnn2)n[nH]1 ZINC001371389682 887659569 /nfs/dbraw/zinc/65/95/69/887659569.db2.gz KFYCSTXHTUBLFR-MRVPVSSYSA-N 0 3 293.335 -1.216 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cnon1 ZINC001371398780 887659800 /nfs/dbraw/zinc/65/98/00/887659800.db2.gz XZLTZPUBMMCBKN-ZCFIWIBFSA-N 0 3 284.276 -1.767 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)Cn1cncn1 ZINC001371450478 887659859 /nfs/dbraw/zinc/65/98/59/887659859.db2.gz OQICTYZRFWCEGC-MRVPVSSYSA-N 0 3 297.319 -2.172 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccnc1)NCc1nc(=O)n(C)[nH]1 ZINC001371487670 887661094 /nfs/dbraw/zinc/66/10/94/887661094.db2.gz OJHOKHMVSPGURC-VIFPVBQESA-N 0 3 293.331 -1.401 20 0 CAADHN Cc1nnc2n1C[C@@H](C(=O)NC[C@H](C)NCC(N)=O)CC2 ZINC001371465384 887661275 /nfs/dbraw/zinc/66/12/75/887661275.db2.gz MUVKGCJANLZNHE-WPRPVWTQSA-N 0 3 294.359 -1.271 20 0 CAADHN C[C@@H](CNC(=O)Cc1ccc(C(N)=O)cc1)NCC(N)=O ZINC001371478307 887661921 /nfs/dbraw/zinc/66/19/21/887661921.db2.gz CQCMWSDHOUEAMT-VIFPVBQESA-N 0 3 292.339 -1.092 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001371496868 887662216 /nfs/dbraw/zinc/66/22/16/887662216.db2.gz MQKVZTKAXPRXMQ-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCN1CCCC1=O ZINC001371462285 887662446 /nfs/dbraw/zinc/66/24/46/887662446.db2.gz AFBDWQTUFJUJJH-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001371477252 887662773 /nfs/dbraw/zinc/66/27/73/887662773.db2.gz AQUJRUQWDHFRFX-PSASIEDQSA-N 0 3 270.333 -1.423 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001371498563 887663086 /nfs/dbraw/zinc/66/30/86/887663086.db2.gz AUGXHWGYWQKOSQ-VHSXEESVSA-N 0 3 282.344 -1.456 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001371477255 887663367 /nfs/dbraw/zinc/66/33/67/887663367.db2.gz AQUJRUQWDHFRFX-WCBMZHEXSA-N 0 3 270.333 -1.423 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)c1ccc(=O)n(C)n1 ZINC001371451824 887663407 /nfs/dbraw/zinc/66/34/07/887663407.db2.gz VGSWZGRJOMJFPG-SECBINFHSA-N 0 3 295.343 -1.376 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001371497386 887663562 /nfs/dbraw/zinc/66/35/62/887663562.db2.gz RQXZXYSZYOIHFM-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001371502805 887665313 /nfs/dbraw/zinc/66/53/13/887665313.db2.gz HKASMIJUKMBMHN-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001371507969 887665446 /nfs/dbraw/zinc/66/54/46/887665446.db2.gz BUSMUEQEQXSZAA-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001371508097 887665764 /nfs/dbraw/zinc/66/57/64/887665764.db2.gz OWMGNCXGCNAQNL-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC001371509830 887666035 /nfs/dbraw/zinc/66/60/35/887666035.db2.gz GRGDMBNOHBZAHM-JTQLQIEISA-N 0 3 296.327 -1.282 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H](COC)OC)C1 ZINC001371531028 887666106 /nfs/dbraw/zinc/66/61/06/887666106.db2.gz OFUYWRWDSBVJDP-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)COC)[C@@H](O)C1)N(C)C ZINC001371524830 887666269 /nfs/dbraw/zinc/66/62/69/887666269.db2.gz UXVNRQNGWSNOPM-MXWKQRLJSA-N 0 3 287.360 -1.339 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001371508153 887666325 /nfs/dbraw/zinc/66/63/25/887666325.db2.gz PIWADTPSODOHRX-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN CC[C@@H](C(=O)N1C[C@@H](NC(=O)COC)[C@@H](O)C1)N(C)C ZINC001371524831 887666467 /nfs/dbraw/zinc/66/64/67/887666467.db2.gz UXVNRQNGWSNOPM-VWYCJHECSA-N 0 3 287.360 -1.339 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001371543347 887667741 /nfs/dbraw/zinc/66/77/41/887667741.db2.gz HBBYIVQSKUEOMP-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001371554768 887667873 /nfs/dbraw/zinc/66/78/73/887667873.db2.gz HVZRGIDISIBZJA-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCn1cc(C(=O)N2CC[C@H](NCC(=O)NC)C2)nn1 ZINC001371538598 887667977 /nfs/dbraw/zinc/66/79/77/887667977.db2.gz JPBXHPJTFTXWRV-VIFPVBQESA-N 0 3 280.332 -1.152 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCCn2cncn2)C1 ZINC001371537611 887668468 /nfs/dbraw/zinc/66/84/68/887668468.db2.gz LJZHXMIBDONGEI-JTQLQIEISA-N 0 3 280.332 -1.266 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001371543084 887668861 /nfs/dbraw/zinc/66/88/61/887668861.db2.gz FHNKNESCPUIQKV-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001371546246 887669022 /nfs/dbraw/zinc/66/90/22/887669022.db2.gz ZSNNLPSPWYXGAD-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H](COC)OC ZINC001372941910 887717248 /nfs/dbraw/zinc/71/72/48/887717248.db2.gz DCNMCFOSYITSOH-VHSXEESVSA-N 0 3 275.349 -1.170 20 0 CAADHN CN(CCNC(=O)Cn1cnnn1)CCc1cnn(C)c1 ZINC001371911025 887675401 /nfs/dbraw/zinc/67/54/01/887675401.db2.gz KYDJEYXVGBOKNJ-UHFFFAOYSA-N 0 3 292.347 -1.303 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1cn(C)nn1 ZINC001371962224 887676986 /nfs/dbraw/zinc/67/69/86/887676986.db2.gz ATKFCZBJIATIPA-VIFPVBQESA-N 0 3 271.321 -1.516 20 0 CAADHN CN(CCNC(=O)[C@H]1CN(C)CCO1)CCn1cncn1 ZINC001371939866 887678293 /nfs/dbraw/zinc/67/82/93/887678293.db2.gz LJVFMRGPNZYFLN-GFCCVEGCSA-N 0 3 296.375 -1.343 20 0 CAADHN COC[C@H](C)N(C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001371968321 887679617 /nfs/dbraw/zinc/67/96/17/887679617.db2.gz GILTUHUGSOCPAO-VIFPVBQESA-N 0 3 298.347 -1.540 20 0 CAADHN CC[C@H](C(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C1)N(C)C ZINC001372032989 887681417 /nfs/dbraw/zinc/68/14/17/887681417.db2.gz CKIOLAVZRQJFET-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CCn1ncn(C)c1=O ZINC001372052916 887681473 /nfs/dbraw/zinc/68/14/73/887681473.db2.gz MFLKXISTJMJPRE-JTQLQIEISA-N 0 3 285.348 -1.599 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001372107207 887684661 /nfs/dbraw/zinc/68/46/61/887684661.db2.gz GOHBJWCZVVMSIV-AEJSXWLSSA-N 0 3 273.333 -1.837 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001372185507 887686471 /nfs/dbraw/zinc/68/64/71/887686471.db2.gz AROINTZTKVCHIO-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CCC(=O)N1C ZINC001372086413 887686668 /nfs/dbraw/zinc/68/66/68/887686668.db2.gz HTWFETTZFXDGBK-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN CN(CCCF)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001372246406 887690260 /nfs/dbraw/zinc/69/02/60/887690260.db2.gz QSNZQSUPIBSCET-UHFFFAOYSA-N 0 3 286.311 -1.215 20 0 CAADHN CCN(CCNC(=O)[C@H]1COC(=O)N1)C[C@@H](O)COC ZINC001372322105 887692546 /nfs/dbraw/zinc/69/25/46/887692546.db2.gz KLWAIDXQJDSPKL-NXEZZACHSA-N 0 3 289.332 -1.460 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001372365371 887693336 /nfs/dbraw/zinc/69/33/36/887693336.db2.gz ONPZFNHGMUHMHW-SNVBAGLBSA-N 0 3 297.359 -1.024 20 0 CAADHN Cn1cnnc1COCC(=O)NC[C@@H]1CCCN1CCO ZINC001372555947 887699960 /nfs/dbraw/zinc/69/99/60/887699960.db2.gz OQPZPIPIFYYYPJ-NSHDSACASA-N 0 3 297.359 -1.095 20 0 CAADHN NC(=O)CN1CC[C@H](CNC(=O)CCc2cn[nH]n2)C1 ZINC001372658671 887700947 /nfs/dbraw/zinc/70/09/47/887700947.db2.gz HVAIXGFRGXKMCI-SECBINFHSA-N 0 3 280.332 -1.339 20 0 CAADHN NC(=O)CN1CC[C@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001372658671 887700955 /nfs/dbraw/zinc/70/09/55/887700955.db2.gz HVAIXGFRGXKMCI-SECBINFHSA-N 0 3 280.332 -1.339 20 0 CAADHN CNC(=O)NCCC(=O)NCCN(CCO)C1CC1 ZINC001372801814 887706714 /nfs/dbraw/zinc/70/67/14/887706714.db2.gz PTTYYEMTUUNOKV-UHFFFAOYSA-N 0 3 272.349 -1.122 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001372769742 887708153 /nfs/dbraw/zinc/70/81/53/887708153.db2.gz QTKRMIBIJGXIKS-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@]12C[C@H]1COC2)C(=O)NC(N)=O ZINC001372937865 887714471 /nfs/dbraw/zinc/71/44/71/887714471.db2.gz HPVIHLUKOFXJLO-RVBZMBCESA-N 0 3 298.343 -1.346 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001372918547 887714484 /nfs/dbraw/zinc/71/44/84/887714484.db2.gz BNESRWLUGUBRTL-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](NCCN(C)C(=O)CC(C)(C)O)C(=O)NC(N)=O ZINC001372940494 887714498 /nfs/dbraw/zinc/71/44/98/887714498.db2.gz LGDCTCURDUQZQY-QMMMGPOBSA-N 0 3 288.348 -1.221 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001372942561 887714517 /nfs/dbraw/zinc/71/45/17/887714517.db2.gz FRSVGPJGZBLBRV-RNCFNFMXSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CCc1cnn(C)n1 ZINC001372943691 887714657 /nfs/dbraw/zinc/71/46/57/887714657.db2.gz HECZZFOSPOKFPU-NSHDSACASA-N 0 3 294.359 -1.316 20 0 CAADHN COC(=O)NCC(=O)N(C)CCN[C@H](C)C(=O)N(C)C ZINC001372924664 887716113 /nfs/dbraw/zinc/71/61/13/887716113.db2.gz XCIYTBSLYATULJ-SECBINFHSA-N 0 3 288.348 -1.133 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001372890732 887716168 /nfs/dbraw/zinc/71/61/68/887716168.db2.gz MRDNCTBTRXJNPK-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN COC(=O)NCC(=O)N(C)CCN[C@@H](C)C(=O)N(C)C ZINC001372924670 887716273 /nfs/dbraw/zinc/71/62/73/887716273.db2.gz XCIYTBSLYATULJ-VIFPVBQESA-N 0 3 288.348 -1.133 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001372935521 887717069 /nfs/dbraw/zinc/71/70/69/887717069.db2.gz DPLRYKBEISTETF-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001372939736 887717174 /nfs/dbraw/zinc/71/71/74/887717174.db2.gz OFGWYZHYFBTDHJ-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)c1nnn(C)n1 ZINC001372951675 887718585 /nfs/dbraw/zinc/71/85/85/887718585.db2.gz OPTLUKBCTPNMSP-MRVPVSSYSA-N 0 3 281.320 -1.850 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001372956764 887718646 /nfs/dbraw/zinc/71/86/46/887718646.db2.gz ZONBGRNJCKINNZ-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cccnn1)C(=O)NC(N)=O ZINC001372981212 887718671 /nfs/dbraw/zinc/71/86/71/887718671.db2.gz LHSRJBXZYAUNHQ-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cccn(C)c1=O)C(N)=O ZINC001372966808 887719136 /nfs/dbraw/zinc/71/91/36/887719136.db2.gz IIGJIHFMLONFDR-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1cnc[n-]c1=O ZINC001372945901 887719704 /nfs/dbraw/zinc/71/97/04/887719704.db2.gz ZATRHNMZMVKKDP-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1ccc(=O)n(C)n1 ZINC001372976143 887720144 /nfs/dbraw/zinc/72/01/44/887720144.db2.gz JRAGXWJPCJIKLX-VIFPVBQESA-N 0 3 293.327 -1.670 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H](C)CC(N)=O)C(N)=O ZINC001372956626 887720588 /nfs/dbraw/zinc/72/05/88/887720588.db2.gz YRILNZJMWNHUGG-RKDXNWHRSA-N 0 3 272.349 -1.190 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1ccc(=O)n(C)n1 ZINC001372976139 887720548 /nfs/dbraw/zinc/72/05/48/887720548.db2.gz JRAGXWJPCJIKLX-SECBINFHSA-N 0 3 293.327 -1.670 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001372987855 887720689 /nfs/dbraw/zinc/72/06/89/887720689.db2.gz UUEOPPKCKJFQPB-MRVPVSSYSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)c1cnon1 ZINC001372992348 887720780 /nfs/dbraw/zinc/72/07/80/887720780.db2.gz YBUZOGJNMOWRNP-ZETCQYMHSA-N 0 3 298.303 -1.425 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)c1cnon1 ZINC001372992275 887720868 /nfs/dbraw/zinc/72/08/68/887720868.db2.gz YBUZOGJNMOWRNP-SSDOTTSWSA-N 0 3 298.303 -1.425 20 0 CAADHN Cc1nnc(CC(=O)N(C)CCN[C@H]2CCNC2=O)o1 ZINC001372947362 887721719 /nfs/dbraw/zinc/72/17/19/887721719.db2.gz XMABMEQRABKZMS-VIFPVBQESA-N 0 3 281.316 -1.143 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001372951658 887721860 /nfs/dbraw/zinc/72/18/60/887721860.db2.gz OLYGFEXGZSLIIO-DTWKUNHWSA-N 0 3 270.333 -1.471 20 0 CAADHN CC[C@H](C(=O)N[C@H](C)CNC(=O)c1nnn(C)n1)N(C)C ZINC001373027183 887724488 /nfs/dbraw/zinc/72/44/88/887724488.db2.gz IHRLNAREAUJUAQ-RKDXNWHRSA-N 0 3 297.363 -1.215 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2COCCO2)C1 ZINC001373143598 887728154 /nfs/dbraw/zinc/72/81/54/887728154.db2.gz DETLOMWWUCANQR-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN CN1CCO[C@H](C(=O)NCC[C@@H]2CCN(CC(N)=O)C2)C1 ZINC001373145254 887728774 /nfs/dbraw/zinc/72/87/74/887728774.db2.gz BWXGBEWSOCZRTB-NEPJUHHUSA-N 0 3 298.387 -1.370 20 0 CAADHN CN1CCO[C@@H](C(=O)NCC[C@H]2CCN(CC(N)=O)C2)C1 ZINC001373145255 887729061 /nfs/dbraw/zinc/72/90/61/887729061.db2.gz BWXGBEWSOCZRTB-NWDGAFQWSA-N 0 3 298.387 -1.370 20 0 CAADHN C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001373276550 887729573 /nfs/dbraw/zinc/72/95/73/887729573.db2.gz XUJABFJBMAXCBG-VHSXEESVSA-N 0 3 295.347 -1.673 20 0 CAADHN CN1CCO[C@H](C(=O)NCC[C@H]2CCN(CC(N)=O)C2)C1 ZINC001373145256 887729745 /nfs/dbraw/zinc/72/97/45/887729745.db2.gz BWXGBEWSOCZRTB-RYUDHWBXSA-N 0 3 298.387 -1.370 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2COCCO2)C1 ZINC001373143592 887730370 /nfs/dbraw/zinc/73/03/70/887730370.db2.gz DETLOMWWUCANQR-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001373291459 887731614 /nfs/dbraw/zinc/73/16/14/887731614.db2.gz PWBMIXPDUVDMFB-VHSXEESVSA-N 0 3 299.375 -1.431 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001373401991 887735029 /nfs/dbraw/zinc/73/50/29/887735029.db2.gz DAQWXBBIZVXWKA-SRVKXCTJSA-N 0 3 299.371 -1.147 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001373368149 887736373 /nfs/dbraw/zinc/73/63/73/887736373.db2.gz MZBNKOQYNCCYSJ-VWYCJHECSA-N 0 3 296.371 -1.020 20 0 CAADHN CCCN(C)CC(=O)NC1CN([C@@H](C)C(=O)NC(N)=O)C1 ZINC001373469740 887742306 /nfs/dbraw/zinc/74/23/06/887742306.db2.gz DOVWWFRNOZZMNQ-VIFPVBQESA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@H](C(=O)NC1CN(CC(=O)NC(=O)NC)C1)N(C)C ZINC001373468897 887743705 /nfs/dbraw/zinc/74/37/05/887743705.db2.gz JDKGBZGJFCPBLD-SNVBAGLBSA-N 0 3 299.375 -1.417 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001373494220 887745752 /nfs/dbraw/zinc/74/57/52/887745752.db2.gz IKGMEWWSQMBNHJ-RYUDHWBXSA-N 0 3 288.344 -1.543 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(CC(=O)NC(N)=O)C1 ZINC001373491250 887746923 /nfs/dbraw/zinc/74/69/23/887746923.db2.gz ZFUZJJQJKASDFZ-UHFFFAOYSA-N 0 3 285.348 -1.678 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001373513967 887747609 /nfs/dbraw/zinc/74/76/09/887747609.db2.gz OZXHKBNRIJWWIJ-RYUDHWBXSA-N 0 3 299.371 -1.432 20 0 CAADHN CCN1CC(CNC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC001373509128 887748438 /nfs/dbraw/zinc/74/84/38/887748438.db2.gz WIGLLRMNQRHIPD-UHFFFAOYSA-N 0 3 292.405 -1.208 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001373536967 887749260 /nfs/dbraw/zinc/74/92/60/887749260.db2.gz IWQMNMTWWYBJRY-MXWKQRLJSA-N 0 3 285.344 -1.837 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001373582510 887749370 /nfs/dbraw/zinc/74/93/70/887749370.db2.gz UTACELTZZJIXTL-UWVGGRQHSA-N 0 3 284.320 -2.129 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)NCC1CN(CCO)C1 ZINC001373558381 887752462 /nfs/dbraw/zinc/75/24/62/887752462.db2.gz TUBHDXPUBNKBCD-LBPRGKRZSA-N 0 3 285.388 -1.005 20 0 CAADHN COCC(=O)NCCC(=O)N[C@H]1CCN(CCO)C1 ZINC001373592095 887753221 /nfs/dbraw/zinc/75/32/21/887753221.db2.gz GSRJNDREYAKKSU-JTQLQIEISA-N 0 3 273.333 -1.678 20 0 CAADHN CC[C@H](C(=O)NCCN(C)C(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001373526681 887753470 /nfs/dbraw/zinc/75/34/70/887753470.db2.gz YWQKCUAGXMZJDB-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001373610715 887754069 /nfs/dbraw/zinc/75/40/69/887754069.db2.gz WYWJNCSMXHTNAA-SDDRHHMPSA-N 0 3 299.371 -1.147 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001373610716 887754647 /nfs/dbraw/zinc/75/46/47/887754647.db2.gz WYWJNCSMXHTNAA-SRVKXCTJSA-N 0 3 299.371 -1.147 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001373632156 887755438 /nfs/dbraw/zinc/75/54/38/887755438.db2.gz LMUCCNHLXRRHIG-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001373595074 887755530 /nfs/dbraw/zinc/75/55/30/887755530.db2.gz GZRDRIMSWPROAK-WOPDTQHZSA-N 0 3 299.371 -1.290 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(C[C@@H](C)O)C1 ZINC001373601080 887756200 /nfs/dbraw/zinc/75/62/00/887756200.db2.gz XIPHTOKVDYMTSZ-BDAKNGLRSA-N 0 3 294.377 -2.389 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001373632155 887757032 /nfs/dbraw/zinc/75/70/32/887757032.db2.gz LMUCCNHLXRRHIG-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN CN(CCNC(=O)c1nc[nH]n1)C(=O)Cc1cnc[nH]1 ZINC001373617849 887757710 /nfs/dbraw/zinc/75/77/10/887757710.db2.gz HRXNRNZZGONMLM-UHFFFAOYSA-N 0 3 277.288 -1.041 20 0 CAADHN COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001373634063 887758232 /nfs/dbraw/zinc/75/82/32/887758232.db2.gz XGJPXZADWGJXCJ-ZJUUUORDSA-N 0 3 296.327 -1.006 20 0 CAADHN COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001373634063 887758246 /nfs/dbraw/zinc/75/82/46/887758246.db2.gz XGJPXZADWGJXCJ-ZJUUUORDSA-N 0 3 296.327 -1.006 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(C[C@H](C)O)C1 ZINC001373601083 887758388 /nfs/dbraw/zinc/75/83/88/887758388.db2.gz XIPHTOKVDYMTSZ-IUCAKERBSA-N 0 3 294.377 -2.389 20 0 CAADHN CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)[C@H]1CCCN1C ZINC001373645711 887760144 /nfs/dbraw/zinc/76/01/44/887760144.db2.gz PGBGFOIFEOWUCP-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001373637256 887760441 /nfs/dbraw/zinc/76/04/41/887760441.db2.gz IHYMWGWNNQJGDP-BBBLOLIVSA-N 0 3 286.332 -2.134 20 0 CAADHN COCC(=O)NCCC(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001373669083 887761555 /nfs/dbraw/zinc/76/15/55/887761555.db2.gz ATWDLBRMPLTIDJ-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001373663390 887763012 /nfs/dbraw/zinc/76/30/12/887763012.db2.gz HEIPLBBDQYDGAD-MNOVXSKESA-N 0 3 298.347 -1.787 20 0 CAADHN CC[C@@H](C(=O)N(C)CCNC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001373644459 887764062 /nfs/dbraw/zinc/76/40/62/887764062.db2.gz JOJJNOICTYCXOQ-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)OC)N[C@@H](C)C(=O)NC ZINC001373740350 887764912 /nfs/dbraw/zinc/76/49/12/887764912.db2.gz ZACSBJKXMBCQBM-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)C1CC1)NCC(=O)NC ZINC001373740444 887764944 /nfs/dbraw/zinc/76/49/44/887764944.db2.gz ZXAPBEFDHNGVRS-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)c1C)NCC(=O)NC ZINC001373736191 887765149 /nfs/dbraw/zinc/76/51/49/887765149.db2.gz PXOWMNYORDIAJO-SECBINFHSA-N 0 3 282.348 -1.032 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCNC(=O)C1)NCC(=O)NC ZINC001373738801 887765610 /nfs/dbraw/zinc/76/56/10/887765610.db2.gz GXDOBODXTZZBSV-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1COCCO1)NCC(=O)N(C)C ZINC001373727656 887765268 /nfs/dbraw/zinc/76/52/68/887765268.db2.gz JXSBNLBRTZNEIL-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CC[C@H](CNC(=O)c1c[nH]c(=O)n1C)NCC(=O)NC ZINC001373777403 887765487 /nfs/dbraw/zinc/76/54/87/887765487.db2.gz ARAAVOAKZWGOCY-MRVPVSSYSA-N 0 3 283.332 -1.030 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCOCC1)N[C@@H](C)C(N)=O ZINC001373740150 887765963 /nfs/dbraw/zinc/76/59/63/887765963.db2.gz GRQWWLZAVNTZNO-QWRGUYRKSA-N 0 3 286.376 -1.323 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCN(C)C1=O ZINC001373728387 887766064 /nfs/dbraw/zinc/76/60/64/887766064.db2.gz LBQVJXCFDCCNNE-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CC[C@H](CNC(=O)CCNC(=O)NC)NCC(=O)NC ZINC001373747533 887766234 /nfs/dbraw/zinc/76/62/34/887766234.db2.gz VHYCMVGHRZDADF-SECBINFHSA-N 0 3 287.364 -1.464 20 0 CAADHN CC[C@H](CNC(=O)C1CS(=O)(=O)C1)N[C@@H](C)C(N)=O ZINC001373757608 887766561 /nfs/dbraw/zinc/76/65/61/887766561.db2.gz YXRUSBYGRZLKAT-IONNQARKSA-N 0 3 291.373 -1.611 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)NCC(=O)NC ZINC001373738795 887766668 /nfs/dbraw/zinc/76/66/68/887766668.db2.gz GXDOBODXTZZBSV-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H](C)COC)NCC(=O)NC(N)=O ZINC001373739568 887766793 /nfs/dbraw/zinc/76/67/93/887766793.db2.gz QFWQNGIYZBSNQK-IUCAKERBSA-N 0 3 288.348 -1.052 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)NCC(=O)NC1CC1 ZINC001373727641 887766969 /nfs/dbraw/zinc/76/69/69/887766969.db2.gz FRDZMXBKLJDLEH-SECBINFHSA-N 0 3 295.347 -1.564 20 0 CAADHN CCCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CNC(=O)N1 ZINC001373790580 887767351 /nfs/dbraw/zinc/76/73/51/887767351.db2.gz LZASIWINLKAIFH-NXEZZACHSA-N 0 3 299.375 -1.322 20 0 CAADHN CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)N[C@H](C)C(N)=O ZINC001373757601 887767667 /nfs/dbraw/zinc/76/76/67/887767667.db2.gz YXRUSBYGRZLKAT-APPZFPTMSA-N 0 3 291.373 -1.611 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(=O)NC)NCC(=O)NC ZINC001373747534 887767725 /nfs/dbraw/zinc/76/77/25/887767725.db2.gz VHYCMVGHRZDADF-VIFPVBQESA-N 0 3 287.364 -1.464 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)NCC(N)=O ZINC001373758700 887767981 /nfs/dbraw/zinc/76/79/81/887767981.db2.gz CTKNHLAVSATFHQ-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)NC1CC1 ZINC001373727643 887768280 /nfs/dbraw/zinc/76/82/80/887768280.db2.gz FRDZMXBKLJDLEH-VIFPVBQESA-N 0 3 295.347 -1.564 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC001373959718 887769169 /nfs/dbraw/zinc/76/91/69/887769169.db2.gz KXFHFUGHXSFCFB-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)N[C@@](C)(CNCC(=O)N1CCNC(=O)C1)C1CC1 ZINC001373865407 887769382 /nfs/dbraw/zinc/76/93/82/887769382.db2.gz NSNRXTLBFWFUTJ-AWEZNQCLSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CNCC1(NC(=O)CCn2cnnn2)CCCC1 ZINC001373859790 887769771 /nfs/dbraw/zinc/76/97/71/887769771.db2.gz ZUVITVQAZIDGAK-UHFFFAOYSA-N 0 3 295.347 -1.433 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)c1cn(C)nn1 ZINC001373959890 887770089 /nfs/dbraw/zinc/77/00/89/887770089.db2.gz GNNFIHLAXBMEBB-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)NCC(=O)NC ZINC001373800070 887770619 /nfs/dbraw/zinc/77/06/19/887770619.db2.gz AHPKEWDORHDYCP-YUMQZZPRSA-N 0 3 299.331 -2.185 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001373967316 887770691 /nfs/dbraw/zinc/77/06/91/887770691.db2.gz QJSVJTMLACWAFH-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN COCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NC(N)=O ZINC001373950658 887770738 /nfs/dbraw/zinc/77/07/38/887770738.db2.gz KTPOVTXPVAMDLU-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H](C(=O)N1CCC[C@@H]1CNCC(N)=O)n1cncn1 ZINC001373960449 887771298 /nfs/dbraw/zinc/77/12/98/887771298.db2.gz KUNXSDIAFFFXTP-NXEZZACHSA-N 0 3 280.332 -1.095 20 0 CAADHN Cn1cnc(C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)n1 ZINC001373876386 887771439 /nfs/dbraw/zinc/77/14/39/887771439.db2.gz PEWXAIOCWJYEQC-LBPRGKRZSA-N 0 3 280.332 -1.212 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H](C)NC(C)=O ZINC001373954215 887771994 /nfs/dbraw/zinc/77/19/94/887771994.db2.gz JNHCDKLGZUVRET-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CN(C)C(C)=O ZINC001374195438 887776866 /nfs/dbraw/zinc/77/68/66/887776866.db2.gz KLGBGLSQTMNXCO-VIFPVBQESA-N 0 3 272.349 -1.353 20 0 CAADHN CCOCC(=O)N(C)[C@@H](C)CNCC(=O)NC(=O)NC ZINC001374191930 887777376 /nfs/dbraw/zinc/77/73/76/887777376.db2.gz ALSSLHPEHDGBPX-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cnn(C)c1 ZINC001374195535 887777584 /nfs/dbraw/zinc/77/75/84/887777584.db2.gz KUKZWUDMAXCDDA-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001374198431 887778048 /nfs/dbraw/zinc/77/80/48/887778048.db2.gz VLKKEMTYJCGDCX-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001374198429 887778217 /nfs/dbraw/zinc/77/82/17/887778217.db2.gz VLKKEMTYJCGDCX-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001374230834 887780134 /nfs/dbraw/zinc/78/01/34/887780134.db2.gz BZWLHQSEPCQAMM-MRVPVSSYSA-N 0 3 281.316 -1.189 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001374279221 887780461 /nfs/dbraw/zinc/78/04/61/887780461.db2.gz IZQXRFUGNKBFTM-ZETCQYMHSA-N 0 3 281.316 -1.351 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)CCn1cnnn1 ZINC001374301658 887781034 /nfs/dbraw/zinc/78/10/34/887781034.db2.gz BEYJGTBOPLKNQS-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cn(C)ccc1=O ZINC001374257140 887781106 /nfs/dbraw/zinc/78/11/06/887781106.db2.gz OBOZSKMOLFNFOS-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)CNC(=O)OC ZINC001374202326 887781476 /nfs/dbraw/zinc/78/14/76/887781476.db2.gz MDXCOCULVDVLDT-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CNC(=O)OC ZINC001374202556 887781851 /nfs/dbraw/zinc/78/18/51/887781851.db2.gz MZTCIQUNTNSZKH-MRVPVSSYSA-N 0 3 274.321 -1.475 20 0 CAADHN Cc1nc(CNC[C@H](C)N(C)C(=O)c2nnn(C)n2)n[nH]1 ZINC001374270275 887782543 /nfs/dbraw/zinc/78/25/43/887782543.db2.gz FRQTXWUAANDIMZ-ZETCQYMHSA-N 0 3 293.335 -1.113 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001374280121 887782768 /nfs/dbraw/zinc/78/27/68/887782768.db2.gz YVOYEPRLVOUQHM-SCZZXKLOSA-N 0 3 297.359 -1.617 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@H](C)CN[C@H]1CCNC1=O ZINC001374220665 887783103 /nfs/dbraw/zinc/78/31/03/887783103.db2.gz MIVDOOQLABXUHN-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)CCn1cnnn1 ZINC001374301662 887783207 /nfs/dbraw/zinc/78/32/07/887783207.db2.gz BEYJGTBOPLKNQS-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CCNC(=O)NC ZINC001374222249 887783355 /nfs/dbraw/zinc/78/33/55/887783355.db2.gz QLDXYCFUEWEETK-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001374256313 887783428 /nfs/dbraw/zinc/78/34/28/887783428.db2.gz ZIEZITFEACVXCV-TVQRCGJNSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)[C@@H](CNC(=O)c1cc(=O)n(C)cn1)NCC(N)=O ZINC001374423837 887784679 /nfs/dbraw/zinc/78/46/79/887784679.db2.gz MPEBCXPXPYUIDQ-SNVBAGLBSA-N 0 3 295.343 -1.390 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](NCC(N)=O)C(C)C ZINC001374413205 887785041 /nfs/dbraw/zinc/78/50/41/887785041.db2.gz WFNURVIQGSBSGL-SNVBAGLBSA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001374315853 887785332 /nfs/dbraw/zinc/78/53/32/887785332.db2.gz XLZWOPXZHUNTIQ-VHSXEESVSA-N 0 3 299.375 -1.159 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cccnc1C(N)=O ZINC001374328364 887785638 /nfs/dbraw/zinc/78/56/38/887785638.db2.gz PTTPTMWVZZCUQI-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1ncn(C)n1)C(C)C ZINC001374419050 887785893 /nfs/dbraw/zinc/78/58/93/887785893.db2.gz GKWTWMNQDVHEEB-SECBINFHSA-N 0 3 282.348 -1.095 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001374315845 887786205 /nfs/dbraw/zinc/78/62/05/887786205.db2.gz XLZWOPXZHUNTIQ-NXEZZACHSA-N 0 3 299.375 -1.159 20 0 CAADHN CC(C)[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H]1CCNC1=O ZINC001374444231 887786295 /nfs/dbraw/zinc/78/62/95/887786295.db2.gz XZYMIWLITKGGHE-VHSXEESVSA-N 0 3 294.359 -1.034 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001374316030 887786725 /nfs/dbraw/zinc/78/67/25/887786725.db2.gz IOIAEKYQKRBOKI-QMMMGPOBSA-N 0 3 281.316 -1.684 20 0 CAADHN C[C@H]1CCCN(C(=O)CCNC(N)=O)[C@H]1CNCC(N)=O ZINC001374392554 887786952 /nfs/dbraw/zinc/78/69/52/887786952.db2.gz BOWRFLVHYIJNPZ-UWVGGRQHSA-N 0 3 299.375 -1.253 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)CCNC(N)=O ZINC001374319696 887787050 /nfs/dbraw/zinc/78/70/50/887787050.db2.gz GVMQPKVEJMADBE-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)c1nnn(C)n1 ZINC001374354111 887787086 /nfs/dbraw/zinc/78/70/86/887787086.db2.gz HUFJCUIFXUOJJG-QMMMGPOBSA-N 0 3 283.336 -1.571 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)Cn1cncn1 ZINC001374323528 887787252 /nfs/dbraw/zinc/78/72/52/887787252.db2.gz WJYWFHQMVCLQRD-SNVBAGLBSA-N 0 3 294.359 -1.007 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)Cn1ncnn1 ZINC001374348018 887787659 /nfs/dbraw/zinc/78/76/59/887787659.db2.gz SGZWIFPNRZQMTE-VIFPVBQESA-N 0 3 283.336 -1.721 20 0 CAADHN CC(C)[C@H](CNC(=O)CCNC(N)=O)NCC(N)=O ZINC001374448691 887787885 /nfs/dbraw/zinc/78/78/85/887787885.db2.gz RAPUYZDDTKDVKV-QMMMGPOBSA-N 0 3 273.337 -1.740 20 0 CAADHN CC(C)[C@@H](CNC(=O)CCn1ccnn1)NCC(N)=O ZINC001374420825 887788561 /nfs/dbraw/zinc/78/85/61/887788561.db2.gz ULBHBRRWKHHFIS-SNVBAGLBSA-N 0 3 282.348 -1.116 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](O)CNC(=O)C(F)F ZINC001374563956 887790427 /nfs/dbraw/zinc/79/04/27/887790427.db2.gz CFDYFZOVPYFUDV-WDSKDSINSA-N 0 3 296.274 -1.838 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](O)CNC(=O)COC ZINC001374565569 887790448 /nfs/dbraw/zinc/79/04/48/887790448.db2.gz CLQHCIMISKJGNH-JGVFFNPUSA-N 0 3 290.320 -2.456 20 0 CAADHN COCCn1cc(C(=O)N(C)CCN(C)CCO)nn1 ZINC001374492682 887790601 /nfs/dbraw/zinc/79/06/01/887790601.db2.gz LLGSUEHGVMLNRI-UHFFFAOYSA-N 0 3 285.348 -1.079 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)Cn1ncnn1 ZINC001374493762 887790792 /nfs/dbraw/zinc/79/07/92/887790792.db2.gz PVQONXCPFOUGEI-SNVBAGLBSA-N 0 3 286.336 -1.929 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCc1cncc(F)c1 ZINC001374570494 887790830 /nfs/dbraw/zinc/79/08/30/887790830.db2.gz DKFJOBPYIHIUCA-LBPRGKRZSA-N 0 3 298.318 -1.077 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@H]1CCN(C2CCC2)C1=O ZINC001374568546 887791455 /nfs/dbraw/zinc/79/14/55/887791455.db2.gz JQBXBMLWWZGBMM-RYUDHWBXSA-N 0 3 299.371 -1.147 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)c1ccccc1 ZINC001374571706 887791481 /nfs/dbraw/zinc/79/14/81/887791481.db2.gz IARVQZVEIPBBSC-SNVBAGLBSA-N 0 3 294.311 -1.438 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](O)CNC(=O)COC ZINC001374565570 887791560 /nfs/dbraw/zinc/79/15/60/887791560.db2.gz CLQHCIMISKJGNH-SFYZADRCSA-N 0 3 290.320 -2.456 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCc1cncc(F)c1 ZINC001374570493 887792983 /nfs/dbraw/zinc/79/29/83/887792983.db2.gz DKFJOBPYIHIUCA-GFCCVEGCSA-N 0 3 298.318 -1.077 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)C1CCOCC1 ZINC001374572993 887795269 /nfs/dbraw/zinc/79/52/69/887795269.db2.gz OFEBRIKHTUDZLJ-WDEREUQCSA-N 0 3 285.344 -1.632 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C(C)C ZINC001374572306 887795603 /nfs/dbraw/zinc/79/56/03/887795603.db2.gz SXBZQFYRTPUZTK-MNOVXSKESA-N 0 3 289.376 -1.045 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)C1=COCCO1 ZINC001374576059 887795714 /nfs/dbraw/zinc/79/57/14/887795714.db2.gz HGZVMQXBSRLWRX-BDAKNGLRSA-N 0 3 285.300 -2.170 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)Cn1cccn1)NC1CC1 ZINC001374578331 887796763 /nfs/dbraw/zinc/79/67/63/887796763.db2.gz ANUQSYRWLGOICZ-NSHDSACASA-N 0 3 295.343 -1.772 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCc1cccnc1 ZINC001374572776 887796877 /nfs/dbraw/zinc/79/68/77/887796877.db2.gz NMLLXHYPGBKXIS-LBPRGKRZSA-N 0 3 280.328 -1.216 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1=COCCO1)N1CCC1 ZINC001374574207 887797606 /nfs/dbraw/zinc/79/76/06/887797606.db2.gz BJDCDHHJNRHXGB-JTQLQIEISA-N 0 3 299.327 -1.826 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCOC1 ZINC001374581517 887797644 /nfs/dbraw/zinc/79/76/44/887797644.db2.gz DSSFVTUNXPOROO-VHSXEESVSA-N 0 3 273.333 -1.774 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)C1CCOCC1 ZINC001374572992 887797847 /nfs/dbraw/zinc/79/78/47/887797847.db2.gz OFEBRIKHTUDZLJ-QWRGUYRKSA-N 0 3 285.344 -1.632 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1cn[nH]c1 ZINC001374586060 887798439 /nfs/dbraw/zinc/79/84/39/887798439.db2.gz LDQJKNILNZUHRC-UWVGGRQHSA-N 0 3 281.316 -1.631 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1cc(C)on1 ZINC001374585960 887799093 /nfs/dbraw/zinc/79/90/93/887799093.db2.gz FCNZBNXBCFXZEG-LLVKDONJSA-N 0 3 298.343 -1.272 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnn(CC)c1)C(N)=O ZINC001374585785 887799262 /nfs/dbraw/zinc/79/92/62/887799262.db2.gz DCELYOQAIDAJSA-WDEREUQCSA-N 0 3 297.359 -1.153 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1ccn[nH]1 ZINC001374585566 887799420 /nfs/dbraw/zinc/79/94/20/887799420.db2.gz KBBDBMVLHGMGRY-IUCAKERBSA-N 0 3 281.316 -1.631 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1cn[nH]c1 ZINC001374586062 887799882 /nfs/dbraw/zinc/79/98/82/887799882.db2.gz LDQJKNILNZUHRC-VHSXEESVSA-N 0 3 281.316 -1.631 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)CSC ZINC001374587034 887799945 /nfs/dbraw/zinc/79/99/45/887799945.db2.gz AWXBCLCEXRVHPY-BDAKNGLRSA-N 0 3 277.390 -1.202 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)CN(C)C(C)=O)C(N)=O ZINC001374586987 887799989 /nfs/dbraw/zinc/79/99/89/887799989.db2.gz NNSBKCMZBGTLGN-VHSXEESVSA-N 0 3 288.348 -2.205 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnn(CC)c1)C(N)=O ZINC001374585783 887800102 /nfs/dbraw/zinc/80/01/02/887800102.db2.gz DCELYOQAIDAJSA-QWRGUYRKSA-N 0 3 297.359 -1.153 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001374585019 887800370 /nfs/dbraw/zinc/80/03/70/887800370.db2.gz IWOBOXOFITYACE-GHMZBOCLSA-N 0 3 295.343 -1.289 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnn(CC)c1)C(N)=O ZINC001374585780 887801272 /nfs/dbraw/zinc/80/12/72/887801272.db2.gz DCELYOQAIDAJSA-GHMZBOCLSA-N 0 3 297.359 -1.153 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccon1)C(=O)N(C)C ZINC001374584960 887801314 /nfs/dbraw/zinc/80/13/14/887801314.db2.gz QFDDGWJTOMFTJM-RKDXNWHRSA-N 0 3 284.316 -1.168 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCOC1)C1CC1 ZINC001374583564 887801641 /nfs/dbraw/zinc/80/16/41/887801641.db2.gz LOMAYAZGPKKXCI-CMPLNLGQSA-N 0 3 299.371 -1.290 20 0 CAADHN Cc1cnn(CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c1 ZINC001374584037 887801828 /nfs/dbraw/zinc/80/18/28/887801828.db2.gz NIHXNZYCGHCQAI-NXEZZACHSA-N 0 3 283.332 -1.868 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccn(C)c1 ZINC001374593317 887803090 /nfs/dbraw/zinc/80/30/90/887803090.db2.gz MPPMUOAJKBYLMS-GXSJLCMTSA-N 0 3 282.344 -1.160 20 0 CAADHN CC[C@H](OC)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001374593039 887803312 /nfs/dbraw/zinc/80/33/12/887803312.db2.gz WQEZKBYUIBHWGY-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cncc(F)c1 ZINC001374592208 887803550 /nfs/dbraw/zinc/80/35/50/887803550.db2.gz IPQXKYJXLOHEIP-JTQLQIEISA-N 0 3 284.291 -1.353 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001374588816 887803875 /nfs/dbraw/zinc/80/38/75/887803875.db2.gz GCVIKRPIDAHSPQ-WDEREUQCSA-N 0 3 295.343 -1.735 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cncc(C)c1 ZINC001374590009 887804718 /nfs/dbraw/zinc/80/47/18/887804718.db2.gz SWLUMVRBLZPODL-LLVKDONJSA-N 0 3 280.328 -1.184 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001374588137 887804069 /nfs/dbraw/zinc/80/40/69/887804069.db2.gz SBMQPLDOBXEWLW-SNVBAGLBSA-N 0 3 297.359 -1.138 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnsn1)C(N)=O ZINC001374589767 887804383 /nfs/dbraw/zinc/80/43/83/887804383.db2.gz YWDPTCFDIPIPQS-RITPCOANSA-N 0 3 273.318 -1.908 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC ZINC001374591432 887804558 /nfs/dbraw/zinc/80/45/58/887804558.db2.gz RCIYGRABIOVAEB-IUCAKERBSA-N 0 3 288.348 -2.286 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1nnn(C)c1C ZINC001374589261 887804594 /nfs/dbraw/zinc/80/45/94/887804594.db2.gz PNCPDEXCKXHSSF-IONNQARKSA-N 0 3 298.347 -2.062 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cncc(F)c1 ZINC001374592212 887804841 /nfs/dbraw/zinc/80/48/41/887804841.db2.gz IPQXKYJXLOHEIP-SNVBAGLBSA-N 0 3 284.291 -1.353 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCOC1 ZINC001374590401 887804908 /nfs/dbraw/zinc/80/49/08/887804908.db2.gz LURFMYZCDDCHLE-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC ZINC001374591430 887805076 /nfs/dbraw/zinc/80/50/76/887805076.db2.gz RCIYGRABIOVAEB-BDAKNGLRSA-N 0 3 288.348 -2.286 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cocn1 ZINC001374590734 887805237 /nfs/dbraw/zinc/80/52/37/887805237.db2.gz NGEIZVLHTRQKDU-QMMMGPOBSA-N 0 3 270.289 -1.557 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)C2=CCOCC2)C1=O ZINC001374594037 887805278 /nfs/dbraw/zinc/80/52/78/887805278.db2.gz JDKLMGYIRYHMLA-NEPJUHHUSA-N 0 3 297.355 -1.370 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccn(C)c1 ZINC001374593331 887805323 /nfs/dbraw/zinc/80/53/23/887805323.db2.gz MPPMUOAJKBYLMS-MWLCHTKSSA-N 0 3 282.344 -1.160 20 0 CAADHN O=C(CNC(=O)C1CC1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001374588546 887805342 /nfs/dbraw/zinc/80/53/42/887805342.db2.gz UXCKQDSFZAMTNP-UWVGGRQHSA-N 0 3 298.343 -2.532 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCN2C)nn1 ZINC001374592331 887805733 /nfs/dbraw/zinc/80/57/33/887805733.db2.gz UOUQXSMJEKPQKZ-NEPJUHHUSA-N 0 3 296.375 -1.524 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)ncn1 ZINC001374591584 887805764 /nfs/dbraw/zinc/80/57/64/887805764.db2.gz FSUGQABVHXBDNY-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN Cn1cnnc1CNC[C@@H](O)CNC(=O)[C@@H]1CCCN1C ZINC001374592137 887805908 /nfs/dbraw/zinc/80/59/08/887805908.db2.gz UBYCTEKONIKRIW-MNOVXSKESA-N 0 3 296.375 -1.524 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1cnn(C)c1)C(N)=O ZINC001374590443 887806107 /nfs/dbraw/zinc/80/61/07/887806107.db2.gz MCJHEISVAHFUNE-MNOVXSKESA-N 0 3 297.359 -1.707 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCOC1 ZINC001374590396 887806272 /nfs/dbraw/zinc/80/62/72/887806272.db2.gz LURFMYZCDDCHLE-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1nccc(C)n1 ZINC001374598356 887807747 /nfs/dbraw/zinc/80/77/47/887807747.db2.gz JQGMIWWIRNJJPV-JTQLQIEISA-N 0 3 295.343 -1.399 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001374596593 887807840 /nfs/dbraw/zinc/80/78/40/887807840.db2.gz UEYAGVRTLOEBSR-GFCCVEGCSA-N 0 3 299.371 -1.122 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cncnc1)C(N)=O ZINC001374595335 887807993 /nfs/dbraw/zinc/80/79/93/887807993.db2.gz NYHLYEFZRMPWGI-ZJUUUORDSA-N 0 3 281.316 -1.579 20 0 CAADHN O=C(Cc1ccoc1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001374596868 887808050 /nfs/dbraw/zinc/80/80/50/887808050.db2.gz VKOLRQLXNYSAEC-WDEREUQCSA-N 0 3 281.312 -1.223 20 0 CAADHN C[C@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C)n1cncn1 ZINC001374596919 887808223 /nfs/dbraw/zinc/80/82/23/887808223.db2.gz VUPHBTAOKWNHOK-NXEZZACHSA-N 0 3 298.347 -2.006 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)co1 ZINC001374596626 887808512 /nfs/dbraw/zinc/80/85/12/887808512.db2.gz UOQPOINXWWZCBI-UWVGGRQHSA-N 0 3 296.327 -1.058 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)c1cnnn1C ZINC001374601685 887808798 /nfs/dbraw/zinc/80/87/98/887808798.db2.gz KLPQHXMJCLPMMU-SNVBAGLBSA-N 0 3 293.331 -1.571 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)co1 ZINC001374596625 887809168 /nfs/dbraw/zinc/80/91/68/887809168.db2.gz UOQPOINXWWZCBI-NXEZZACHSA-N 0 3 296.327 -1.058 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001374601888 887809497 /nfs/dbraw/zinc/80/94/97/887809497.db2.gz KVGPADODORXXAT-SECBINFHSA-N 0 3 298.347 -1.980 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1CC(F)(F)C1 ZINC001374596550 887809521 /nfs/dbraw/zinc/80/95/21/887809521.db2.gz QKUHAONUFJDWAE-QMMMGPOBSA-N 0 3 279.287 -1.156 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001374595515 887809777 /nfs/dbraw/zinc/80/97/77/887809777.db2.gz VZJKEYHFIHSLHD-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CC1(F)F)N1CCC1 ZINC001374599412 887809838 /nfs/dbraw/zinc/80/98/38/887809838.db2.gz INCIWDPWGMJJPJ-RKDXNWHRSA-N 0 3 291.298 -1.059 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)c1cnnn1C ZINC001374601676 887810020 /nfs/dbraw/zinc/81/00/20/887810020.db2.gz KLPQHXMJCLPMMU-JTQLQIEISA-N 0 3 293.331 -1.571 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C)n1cncn1 ZINC001374596931 887810079 /nfs/dbraw/zinc/81/00/79/887810079.db2.gz VUPHBTAOKWNHOK-UWVGGRQHSA-N 0 3 298.347 -2.006 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(OC)no1 ZINC001374598002 887810132 /nfs/dbraw/zinc/81/01/32/887810132.db2.gz ZPMONGICTDVLDZ-ZETCQYMHSA-N 0 3 286.288 -1.891 20 0 CAADHN C[C@@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C)n1cncn1 ZINC001374596933 887810226 /nfs/dbraw/zinc/81/02/26/887810226.db2.gz VUPHBTAOKWNHOK-VHSXEESVSA-N 0 3 298.347 -2.006 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cncnc1)C(N)=O ZINC001374595329 887810515 /nfs/dbraw/zinc/81/05/15/887810515.db2.gz NYHLYEFZRMPWGI-UWVGGRQHSA-N 0 3 281.316 -1.579 20 0 CAADHN CC[C@H](F)CNC[C@@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001374611257 887811705 /nfs/dbraw/zinc/81/17/05/887811705.db2.gz ZYAPEOWXXHMWJV-VHSXEESVSA-N 0 3 296.364 -1.154 20 0 CAADHN O=C(NC[C@H](O)C[NH2+]C[C@H]1CCOC1)c1cnc[n-]c1=O ZINC001374612737 887811794 /nfs/dbraw/zinc/81/17/94/887811794.db2.gz ASPBUGDWUBJJEL-NXEZZACHSA-N 0 3 296.327 -1.101 20 0 CAADHN CC[C@@H](F)CNC[C@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001374611258 887813144 /nfs/dbraw/zinc/81/31/44/887813144.db2.gz ZYAPEOWXXHMWJV-ZJUUUORDSA-N 0 3 296.364 -1.154 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001374604974 887813216 /nfs/dbraw/zinc/81/32/16/887813216.db2.gz MNINRPKQHNHYQH-MJVIPROJSA-N 0 3 299.371 -1.386 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1cncs1)C(N)=O ZINC001374613780 887813300 /nfs/dbraw/zinc/81/33/00/887813300.db2.gz CTZYMINIOCYYLO-JGVFFNPUSA-N 0 3 286.357 -1.374 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1CCC(O)CC1 ZINC001374602302 887813617 /nfs/dbraw/zinc/81/36/17/887813617.db2.gz TXPHRYDPFPWKIK-VQXHTEKXSA-N 0 3 287.360 -1.650 20 0 CAADHN CCCn1nccc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001374607813 887813853 /nfs/dbraw/zinc/81/38/53/887813853.db2.gz HXOJWWJPDFGBOJ-SECBINFHSA-N 0 3 283.332 -1.541 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC001374604137 887813878 /nfs/dbraw/zinc/81/38/78/887813878.db2.gz XBYYREADXXHDJC-ZJUUUORDSA-N 0 3 297.359 -1.125 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnn2c1CCC2)C(N)=O ZINC001374613497 887814071 /nfs/dbraw/zinc/81/40/71/887814071.db2.gz UHMVRJMTDUSEEU-BDAKNGLRSA-N 0 3 295.343 -1.617 20 0 CAADHN COc1cc(C)cnc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001374613427 887814148 /nfs/dbraw/zinc/81/41/48/887814148.db2.gz BNPBTOJAWCEDGU-VIFPVBQESA-N 0 3 296.327 -1.436 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001374625507 887815533 /nfs/dbraw/zinc/81/55/33/887815533.db2.gz RMQRCWABWWSPFJ-SFYZADRCSA-N 0 3 283.332 -1.474 20 0 CAADHN COC1CC(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)C1 ZINC001374615907 887815581 /nfs/dbraw/zinc/81/55/81/887815581.db2.gz QAQYKIADOWIRST-ZYXZCXLHSA-N 0 3 299.371 -1.243 20 0 CAADHN O=C(CCC(F)F)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001374629461 887815808 /nfs/dbraw/zinc/81/58/08/887815808.db2.gz JYBCXAUERIZCBW-HTQZYQBOSA-N 0 3 279.287 -1.013 20 0 CAADHN O=C(CCC(F)F)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001374629467 887815927 /nfs/dbraw/zinc/81/59/27/887815927.db2.gz JYBCXAUERIZCBW-SFYZADRCSA-N 0 3 279.287 -1.013 20 0 CAADHN CCc1nn(C)cc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001374615220 887816257 /nfs/dbraw/zinc/81/62/57/887816257.db2.gz IXDFZKHYDPFVHW-DTWKUNHWSA-N 0 3 297.359 -1.463 20 0 CAADHN Cn1cncc1C(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001374629801 887816499 /nfs/dbraw/zinc/81/64/99/887816499.db2.gz PDDGXJBLEKKEKT-NXEZZACHSA-N 0 3 295.343 -1.669 20 0 CAADHN Cn1cncc1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001374627679 887816977 /nfs/dbraw/zinc/81/69/77/887816977.db2.gz KIHYZCXBOLKTHX-SNVBAGLBSA-N 0 3 295.343 -1.667 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001374625508 887817190 /nfs/dbraw/zinc/81/71/90/887817190.db2.gz RMQRCWABWWSPFJ-YUMQZZPRSA-N 0 3 283.332 -1.474 20 0 CAADHN Cn1cncc1C(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001374629804 887817340 /nfs/dbraw/zinc/81/73/40/887817340.db2.gz PDDGXJBLEKKEKT-UWVGGRQHSA-N 0 3 295.343 -1.669 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001374623136 887817378 /nfs/dbraw/zinc/81/73/78/887817378.db2.gz JBOHJSIRFXPSCT-KCJUWKMLSA-N 0 3 295.343 -1.459 20 0 CAADHN Cn1cncc1C(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001374629810 887817396 /nfs/dbraw/zinc/81/73/96/887817396.db2.gz PDDGXJBLEKKEKT-ZJUUUORDSA-N 0 3 295.343 -1.669 20 0 CAADHN Cn1cncc1C(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001374629807 887817605 /nfs/dbraw/zinc/81/76/05/887817605.db2.gz PDDGXJBLEKKEKT-VHSXEESVSA-N 0 3 295.343 -1.669 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001374635412 887818955 /nfs/dbraw/zinc/81/89/55/887818955.db2.gz GIWLLQOLYOOEPD-NZFPMDFQSA-N 0 3 283.328 -2.166 20 0 CAADHN Cc1nn[nH]c1C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001374634684 887819064 /nfs/dbraw/zinc/81/90/64/887819064.db2.gz FWMFXHJUDALGNM-JTQLQIEISA-N 0 3 293.331 -1.273 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001374632480 887819320 /nfs/dbraw/zinc/81/93/20/887819320.db2.gz UZLMEZDIQILSTB-SRRSOLGSSA-N 0 3 299.371 -1.386 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1ncnn1C ZINC001374636290 887819776 /nfs/dbraw/zinc/81/97/76/887819776.db2.gz ZIDXBFBRSLMNDT-WDEREUQCSA-N 0 3 296.375 -1.524 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)n1 ZINC001374635989 887819936 /nfs/dbraw/zinc/81/99/36/887819936.db2.gz XPKHBHSQYGHVGQ-MRVPVSSYSA-N 0 3 297.319 -2.877 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001374635418 887820742 /nfs/dbraw/zinc/82/07/42/887820742.db2.gz GIWLLQOLYOOEPD-UVOCVTCTSA-N 0 3 283.328 -2.166 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccnnc1C)C(N)=O ZINC001374632534 887820885 /nfs/dbraw/zinc/82/08/85/887820885.db2.gz XCKYNAYXVGRVEM-MWLCHTKSSA-N 0 3 295.343 -1.271 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1nccs1 ZINC001374655649 887822615 /nfs/dbraw/zinc/82/26/15/887822615.db2.gz DSAAZCOSJJDEJU-SSDOTTSWSA-N 0 3 272.330 -1.431 20 0 CAADHN O=C(Cc1ccco1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001374655307 887823039 /nfs/dbraw/zinc/82/30/39/887823039.db2.gz CRQIYALDSRQNCN-ONGXEEELSA-N 0 3 281.312 -1.223 20 0 CAADHN O=C(Cc1cscn1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001374650578 887823171 /nfs/dbraw/zinc/82/31/71/887823171.db2.gz JJZBWZKXJODRFR-UWVGGRQHSA-N 0 3 298.368 -1.359 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001374656640 887823224 /nfs/dbraw/zinc/82/32/24/887823224.db2.gz NJRAUPUDZOVAER-DTWKUNHWSA-N 0 3 281.316 -1.713 20 0 CAADHN Cn1cnnc1CNC[C@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001374653355 887824049 /nfs/dbraw/zinc/82/40/49/887824049.db2.gz PXKSADWDVXECEF-JTQLQIEISA-N 0 3 293.331 -1.652 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1n[nH]cc1F)C(N)=O ZINC001374646453 887824113 /nfs/dbraw/zinc/82/41/13/887824113.db2.gz OSRLFBSWGYCXQB-POYBYMJQSA-N 0 3 287.295 -1.507 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001374649986 887824335 /nfs/dbraw/zinc/82/43/35/887824335.db2.gz FADYMIRRCKNQBV-RNJXMRFFSA-N 0 3 272.305 -3.080 20 0 CAADHN Cc1nnc(CNC[C@H](O)CNC(=O)Cc2cnc[nH]2)o1 ZINC001374647612 887824356 /nfs/dbraw/zinc/82/43/56/887824356.db2.gz CEGOKTNCPRCWIG-JTQLQIEISA-N 0 3 294.315 -1.089 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1ccncn1 ZINC001374655749 887824519 /nfs/dbraw/zinc/82/45/19/887824519.db2.gz DPDBWJNBQWZUBV-NXEZZACHSA-N 0 3 293.327 -1.565 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1ccncn1 ZINC001374655752 887824599 /nfs/dbraw/zinc/82/45/99/887824599.db2.gz DPDBWJNBQWZUBV-ZJUUUORDSA-N 0 3 293.327 -1.565 20 0 CAADHN COc1cncc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001374652108 887824971 /nfs/dbraw/zinc/82/49/71/887824971.db2.gz OIFQCORQBYLDCC-SFYZADRCSA-N 0 3 297.315 -1.961 20 0 CAADHN Cn1cnnc1CNC[C@@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001374653358 887824984 /nfs/dbraw/zinc/82/49/84/887824984.db2.gz PXKSADWDVXECEF-SNVBAGLBSA-N 0 3 293.331 -1.652 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cccc(=O)n1C ZINC001374647532 887824997 /nfs/dbraw/zinc/82/49/97/887824997.db2.gz YZBBHALGSQFXRD-VIFPVBQESA-N 0 3 296.327 -2.188 20 0 CAADHN Cc1nnc(CNC[C@@H](O)CNC(=O)Cc2cnc[nH]2)o1 ZINC001374647613 887825144 /nfs/dbraw/zinc/82/51/44/887825144.db2.gz CEGOKTNCPRCWIG-SNVBAGLBSA-N 0 3 294.315 -1.089 20 0 CAADHN CCn1ncc(CNC[C@@H](O)CNC(=O)c2nc[nH]n2)n1 ZINC001374661576 887826983 /nfs/dbraw/zinc/82/69/83/887826983.db2.gz VINHPDLESGLRTG-SECBINFHSA-N 0 3 294.319 -1.703 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ncccn1 ZINC001374658416 887827112 /nfs/dbraw/zinc/82/71/12/887827112.db2.gz LTPMVQJJBIJMJH-SECBINFHSA-N 0 3 281.316 -1.755 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1cnccn1 ZINC001374662736 887827177 /nfs/dbraw/zinc/82/71/77/887827177.db2.gz PNVBCGOJTMFVRS-LLVKDONJSA-N 0 3 295.343 -1.778 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1ncc[nH]1)C(N)=O ZINC001374658144 887827260 /nfs/dbraw/zinc/82/72/60/887827260.db2.gz KVJXONRVTVCMGP-RKDXNWHRSA-N 0 3 283.332 -1.717 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1cnccn1 ZINC001374664465 887827302 /nfs/dbraw/zinc/82/73/02/887827302.db2.gz ZABKKACWECLWFB-JTQLQIEISA-N 0 3 281.316 -2.039 20 0 CAADHN O=C(CCn1cnnn1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001374663157 887827337 /nfs/dbraw/zinc/82/73/37/887827337.db2.gz YAHJFLQGBZKWHY-IUCAKERBSA-N 0 3 297.319 -2.982 20 0 CAADHN O=C(Cc1ncc[nH]1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001374662896 887827371 /nfs/dbraw/zinc/82/73/71/887827371.db2.gz XRGBVHJCBHNKQU-UWVGGRQHSA-N 0 3 295.343 -1.703 20 0 CAADHN COc1cccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001374664430 887827386 /nfs/dbraw/zinc/82/73/86/887827386.db2.gz YMZRWVZVYBNMKG-BDAKNGLRSA-N 0 3 296.327 -1.356 20 0 CAADHN COc1cccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001374664432 887827394 /nfs/dbraw/zinc/82/73/94/887827394.db2.gz YMZRWVZVYBNMKG-IUCAKERBSA-N 0 3 296.327 -1.356 20 0 CAADHN O=C(CCn1cnnn1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001374663150 887827429 /nfs/dbraw/zinc/82/74/29/887827429.db2.gz YAHJFLQGBZKWHY-BDAKNGLRSA-N 0 3 297.319 -2.982 20 0 CAADHN O=C(CCn1cnnn1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001374663155 887827520 /nfs/dbraw/zinc/82/75/20/887827520.db2.gz YAHJFLQGBZKWHY-DTWKUNHWSA-N 0 3 297.319 -2.982 20 0 CAADHN CC[C@@H](C)NC(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001374662074 887828020 /nfs/dbraw/zinc/82/80/20/887828020.db2.gz YTLODDUGKVJMOY-RKDXNWHRSA-N 0 3 299.331 -1.335 20 0 CAADHN Cn1cnnc1CNC[C@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001374666526 887828213 /nfs/dbraw/zinc/82/82/13/887828213.db2.gz MSJIKAQXLIAEHX-QMMMGPOBSA-N 0 3 294.319 -2.257 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1c[nH]nc1C1CC1 ZINC001374660637 887828256 /nfs/dbraw/zinc/82/82/56/887828256.db2.gz HLAMKTLANFEUFT-QMMMGPOBSA-N 0 3 281.316 -1.547 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2cccnn2)C1=O ZINC001374659430 887828514 /nfs/dbraw/zinc/82/85/14/887828514.db2.gz OZYJCAIJCMXLKZ-GXSJLCMTSA-N 0 3 293.327 -1.612 20 0 CAADHN O=C(Cc1ncc[nH]1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001374662897 887828567 /nfs/dbraw/zinc/82/85/67/887828567.db2.gz XRGBVHJCBHNKQU-VHSXEESVSA-N 0 3 295.343 -1.703 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001374670389 887828896 /nfs/dbraw/zinc/82/88/96/887828896.db2.gz TVOOGDXQOKLZHG-MNOVXSKESA-N 0 3 296.371 -1.225 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1ncccn1 ZINC001374659357 887829016 /nfs/dbraw/zinc/82/90/16/887829016.db2.gz OOPVEWCRFVAUDD-VIFPVBQESA-N 0 3 281.316 -2.039 20 0 CAADHN Cc1conc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001374668248 887829038 /nfs/dbraw/zinc/82/90/38/887829038.db2.gz ZKFJMDLYWJLDRG-JGVFFNPUSA-N 0 3 270.289 -1.463 20 0 CAADHN CCn1ncc(CNC[C@H](O)CNC(=O)c2nc[nH]n2)n1 ZINC001374661578 887829166 /nfs/dbraw/zinc/82/91/66/887829166.db2.gz VINHPDLESGLRTG-VIFPVBQESA-N 0 3 294.319 -1.703 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cccc2[nH]cnc21 ZINC001374662151 887829235 /nfs/dbraw/zinc/82/92/35/887829235.db2.gz UHMPIRBMEDZDES-MRVPVSSYSA-N 0 3 291.311 -1.272 20 0 CAADHN CCn1cc(CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001374666810 887829404 /nfs/dbraw/zinc/82/94/04/887829404.db2.gz OSOYOEKQUWJUBB-GXSJLCMTSA-N 0 3 297.359 -1.614 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1oncc1C ZINC001374660661 887829450 /nfs/dbraw/zinc/82/94/50/887829450.db2.gz HOTLGFUMVPUQNH-BDAKNGLRSA-N 0 3 284.316 -1.202 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1ncc[nH]1)C(N)=O ZINC001374658142 887829505 /nfs/dbraw/zinc/82/95/05/887829505.db2.gz KVJXONRVTVCMGP-DTWKUNHWSA-N 0 3 283.332 -1.717 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1cscn1 ZINC001374676255 887830602 /nfs/dbraw/zinc/83/06/02/887830602.db2.gz LWHZNEKMBDLABL-VIFPVBQESA-N 0 3 286.357 -1.372 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCCOC1 ZINC001374683951 887830688 /nfs/dbraw/zinc/83/06/88/887830688.db2.gz KJJOGSBWKSXATK-QWRGUYRKSA-N 0 3 287.360 -1.384 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1noc2c1COCC2 ZINC001374679944 887830722 /nfs/dbraw/zinc/83/07/22/887830722.db2.gz AGZJJBYMGBREJE-SSDOTTSWSA-N 0 3 298.299 -2.087 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)Cn2ccnc2)n[nH]1 ZINC001374678084 887830886 /nfs/dbraw/zinc/83/08/86/887830886.db2.gz RVDSJMQGJMASKQ-JTQLQIEISA-N 0 3 293.331 -1.423 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001374684969 887830964 /nfs/dbraw/zinc/83/09/64/887830964.db2.gz OLXJKCOTDPRHJU-SFYZADRCSA-N 0 3 293.345 -2.884 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cn1ccnc1)C(N)=O ZINC001374678583 887831254 /nfs/dbraw/zinc/83/12/54/887831254.db2.gz VGTXXHGLNUUDPD-VHSXEESVSA-N 0 3 283.332 -1.786 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cn1ccnc1)C(N)=O ZINC001374678586 887831565 /nfs/dbraw/zinc/83/15/65/887831565.db2.gz VGTXXHGLNUUDPD-ZJUUUORDSA-N 0 3 283.332 -1.786 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CNCC(=O)NC)nn1C ZINC001374681127 887831621 /nfs/dbraw/zinc/83/16/21/887831621.db2.gz DNIVALLLYBMPOU-JTQLQIEISA-N 0 3 297.359 -1.591 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1[nH]cnc1C ZINC001374676744 887831738 /nfs/dbraw/zinc/83/17/38/887831738.db2.gz ISCRCLDLJCELGY-VHSXEESVSA-N 0 3 297.359 -1.538 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001374679265 887831839 /nfs/dbraw/zinc/83/18/39/887831839.db2.gz ZGJBMSMKJYYUAA-JTQLQIEISA-N 0 3 294.315 -1.008 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1 ZINC001374686345 887832052 /nfs/dbraw/zinc/83/20/52/887832052.db2.gz UKYPAZIALYOOGO-IUCAKERBSA-N 0 3 281.316 -2.011 20 0 CAADHN O=C(Cn1cncn1)NC[C@H](O)CNCc1cccnc1 ZINC001374682553 887832210 /nfs/dbraw/zinc/83/22/10/887832210.db2.gz RLJMZYQDSGTTEW-GFCCVEGCSA-N 0 3 290.327 -1.060 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001374674850 887832391 /nfs/dbraw/zinc/83/23/91/887832391.db2.gz HILYOVWXLNLWSP-DTWKUNHWSA-N 0 3 297.315 -1.711 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001374679262 887832541 /nfs/dbraw/zinc/83/25/41/887832541.db2.gz ZFXNKCFVNLMTHU-JTQLQIEISA-N 0 3 283.332 -1.914 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1 ZINC001374686341 887832846 /nfs/dbraw/zinc/83/28/46/887832846.db2.gz UKYPAZIALYOOGO-BDAKNGLRSA-N 0 3 281.316 -2.011 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1[nH]cnc1C ZINC001374676745 887833200 /nfs/dbraw/zinc/83/32/00/887833200.db2.gz ISCRCLDLJCELGY-ZJUUUORDSA-N 0 3 297.359 -1.538 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001374686081 887833450 /nfs/dbraw/zinc/83/34/50/887833450.db2.gz RXACMSBXDWBLCH-ZETCQYMHSA-N 0 3 281.334 -3.027 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cn1ccnc1)C(N)=O ZINC001374678577 887833606 /nfs/dbraw/zinc/83/36/06/887833606.db2.gz VGTXXHGLNUUDPD-NXEZZACHSA-N 0 3 283.332 -1.786 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)COc1ccccc1F ZINC001374672902 887833631 /nfs/dbraw/zinc/83/36/31/887833631.db2.gz GIZWQIWPNVSQTJ-VIFPVBQESA-N 0 3 299.302 -1.244 20 0 CAADHN Cc1nccc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1 ZINC001374681764 887833797 /nfs/dbraw/zinc/83/37/97/887833797.db2.gz FSMCNZAISOXNSF-ZJUUUORDSA-N 0 3 293.327 -1.646 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CNCC(=O)NC)nn1C ZINC001374681131 887833842 /nfs/dbraw/zinc/83/38/42/887833842.db2.gz DNIVALLLYBMPOU-SNVBAGLBSA-N 0 3 297.359 -1.591 20 0 CAADHN CCOc1ncccc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001374680646 887833936 /nfs/dbraw/zinc/83/39/36/887833936.db2.gz UKYLPXCXDOZBQU-SECBINFHSA-N 0 3 296.327 -1.354 20 0 CAADHN CCOc1ncccc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001374680647 887834028 /nfs/dbraw/zinc/83/40/28/887834028.db2.gz UKYLPXCXDOZBQU-VIFPVBQESA-N 0 3 296.327 -1.354 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cn1ccnc1)C(N)=O ZINC001374678580 887834170 /nfs/dbraw/zinc/83/41/70/887834170.db2.gz VGTXXHGLNUUDPD-UWVGGRQHSA-N 0 3 283.332 -1.786 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1)N(C)C ZINC001374718581 887834963 /nfs/dbraw/zinc/83/49/63/887834963.db2.gz OSQRYETXMSYQSY-GHMZBOCLSA-N 0 3 296.371 -1.068 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1CCC(=O)N1 ZINC001374707393 887835081 /nfs/dbraw/zinc/83/50/81/887835081.db2.gz CBQFSVIDTJWJNH-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CCNC(=O)NC ZINC001374714810 887835343 /nfs/dbraw/zinc/83/53/43/887835343.db2.gz VDGKQIPXCZAUMI-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CCNC(N)=O ZINC001374725509 887835942 /nfs/dbraw/zinc/83/59/42/887835942.db2.gz YJQFMKRZOQAHQM-MRVPVSSYSA-N 0 3 273.337 -1.643 20 0 CAADHN Cc1cnn(CC(=O)N[C@H](C)CNCC(=O)NC(N)=O)c1 ZINC001374736801 887835865 /nfs/dbraw/zinc/83/58/65/887835865.db2.gz DTZHVQZERUZRQX-SECBINFHSA-N 0 3 296.331 -1.519 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)c1cnnn1C ZINC001374712689 887835889 /nfs/dbraw/zinc/83/58/89/887835889.db2.gz PKVMSFSSNCOZGC-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CCN(CC)C(=O)CNC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001374726671 887835925 /nfs/dbraw/zinc/83/59/25/887835925.db2.gz QNRRXMKNLLLWAU-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001374708320 887836019 /nfs/dbraw/zinc/83/60/19/887836019.db2.gz FASOKMFVPWQPEL-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001374723982 887836055 /nfs/dbraw/zinc/83/60/55/887836055.db2.gz VIYARURCTCNVHH-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)Cn2cncn2)C1)N(C)C ZINC001374719090 887836272 /nfs/dbraw/zinc/83/62/72/887836272.db2.gz SYFUAFXFXDEFNF-NSHDSACASA-N 0 3 294.359 -1.055 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CS(C)(=O)=O ZINC001374707778 887836521 /nfs/dbraw/zinc/83/65/21/887836521.db2.gz CSCLZQNIYXWUJS-SECBINFHSA-N 0 3 291.373 -1.642 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001374729657 887837178 /nfs/dbraw/zinc/83/71/78/887837178.db2.gz LPIDOFWTPUFBKW-MNOVXSKESA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001374737124 887837281 /nfs/dbraw/zinc/83/72/81/887837281.db2.gz JONDDQQXWVHSKI-KXUCPTDWSA-N 0 3 282.344 -1.362 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001374722121 887837312 /nfs/dbraw/zinc/83/73/12/887837312.db2.gz OVKFLVQXWXGYEZ-IUCAKERBSA-N 0 3 285.348 -1.678 20 0 CAADHN COCC(=O)N[C@H](C)CNCC(=O)N1CCOCC1 ZINC001374724246 887837376 /nfs/dbraw/zinc/83/73/76/887837376.db2.gz RKOWJNWTPFYYTO-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)C1CN(C(C)=O)C1 ZINC001374708179 887837470 /nfs/dbraw/zinc/83/74/70/887837470.db2.gz DRKOQGGFCPHYSS-VIFPVBQESA-N 0 3 284.360 -1.223 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1)N(C)C ZINC001374719667 887837582 /nfs/dbraw/zinc/83/75/82/887837582.db2.gz WQVOUGXVMSGJPF-ZJUUUORDSA-N 0 3 297.359 -1.665 20 0 CAADHN CCOCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001374727551 887837750 /nfs/dbraw/zinc/83/77/50/887837750.db2.gz UERRVQLSANPZDU-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1)N(C)C ZINC001374719666 887837831 /nfs/dbraw/zinc/83/78/31/887837831.db2.gz WQVOUGXVMSGJPF-VHSXEESVSA-N 0 3 297.359 -1.665 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)c1ncn(C)n1 ZINC001374753595 887839028 /nfs/dbraw/zinc/83/90/28/887839028.db2.gz SRWORZMWTQNOSB-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001374737158 887839122 /nfs/dbraw/zinc/83/91/22/887839122.db2.gz JONDDQQXWVHSKI-OPRDCNLKSA-N 0 3 282.344 -1.362 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)C[C@H]1CCNC1=O ZINC001374769507 887839472 /nfs/dbraw/zinc/83/94/72/887839472.db2.gz CZCDGZZGSLPFLQ-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)Cn1ncnn1 ZINC001374754934 887839763 /nfs/dbraw/zinc/83/97/63/887839763.db2.gz JCTXQNKEKJTNAM-MRVPVSSYSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCOCC1=O ZINC001374769055 887840106 /nfs/dbraw/zinc/84/01/06/887840106.db2.gz AIMPOTSAHOFVQK-BDAKNGLRSA-N 0 3 286.332 -2.187 20 0 CAADHN COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001374775287 887840437 /nfs/dbraw/zinc/84/04/37/887840437.db2.gz KBDPCBJIKVUSHL-BDAKNGLRSA-N 0 3 284.316 -1.103 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001374754166 887840466 /nfs/dbraw/zinc/84/04/66/887840466.db2.gz WHHZFQUAUGYDNN-SSDOTTSWSA-N 0 3 297.319 -2.021 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)[C@H](C)NC(N)=O)C1)N(C)C ZINC001374773925 887840781 /nfs/dbraw/zinc/84/07/81/887840781.db2.gz VTNOGDUNAUPUGK-WPRPVWTQSA-N 0 3 299.375 -1.290 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CNCC(=O)NC(C)C ZINC001374766631 887840878 /nfs/dbraw/zinc/84/08/78/887840878.db2.gz WCWDQXSUWHWFTE-SECBINFHSA-N 0 3 287.364 -1.466 20 0 CAADHN Cc1ncncc1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001374741113 887841029 /nfs/dbraw/zinc/84/10/29/887841029.db2.gz QQZFFWKPQIMFAT-SSDOTTSWSA-N 0 3 294.315 -1.312 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)CNC(=O)NC)C1)N(C)C ZINC001374774185 887841200 /nfs/dbraw/zinc/84/12/00/887841200.db2.gz YGZPPZHLKDBDTI-JTQLQIEISA-N 0 3 299.375 -1.417 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CN[C@H]2CCN(C)C2=O)C1 ZINC001374754087 887841288 /nfs/dbraw/zinc/84/12/88/887841288.db2.gz HEENOLOZHBFAPL-SKDRFNHKSA-N 0 3 296.371 -1.210 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CN[C@@H]2CCN(C)C2=O)C1 ZINC001374754084 887841837 /nfs/dbraw/zinc/84/18/37/887841837.db2.gz HEENOLOZHBFAPL-BXKDBHETSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001374763360 887841859 /nfs/dbraw/zinc/84/18/59/887841859.db2.gz MAVHPAFVIRJMAV-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC ZINC001374764918 887841934 /nfs/dbraw/zinc/84/19/34/887841934.db2.gz GAAFEPCKEKTTJM-SFYZADRCSA-N 0 3 273.337 -1.856 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001374737549 887841984 /nfs/dbraw/zinc/84/19/84/887841984.db2.gz ZWYHLIRRTVDZAH-SECBINFHSA-N 0 3 272.349 -1.353 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001374805269 887843400 /nfs/dbraw/zinc/84/34/00/887843400.db2.gz IUDQPMSEZMNABE-BDAKNGLRSA-N 0 3 293.327 -1.292 20 0 CAADHN C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)c1cnc[n-]c1=O ZINC001374776167 887844221 /nfs/dbraw/zinc/84/42/21/887844221.db2.gz SQAJXKYNZBBDKM-VXNVDRBHSA-N 0 3 279.300 -1.221 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001374815436 887844292 /nfs/dbraw/zinc/84/42/92/887844292.db2.gz ZKRKWMOKNMUYBG-HLTSFMKQSA-N 0 3 270.333 -1.662 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001374800786 887845496 /nfs/dbraw/zinc/84/54/96/887845496.db2.gz VDPDORCCENUWNQ-KOLCDFICSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)Cc1cnoc1 ZINC001374802882 887845659 /nfs/dbraw/zinc/84/56/59/887845659.db2.gz GVKYVCIVDZRIGU-HTQZYQBOSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001374805302 887845928 /nfs/dbraw/zinc/84/59/28/887845928.db2.gz IUDQPMSEZMNABE-RKDXNWHRSA-N 0 3 293.327 -1.292 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CNCC(=O)NCC(C)C ZINC001374862202 887846854 /nfs/dbraw/zinc/84/68/54/887846854.db2.gz YVTBAEAXFOZXDK-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)Cn1cnnn1 ZINC001374859833 887846939 /nfs/dbraw/zinc/84/69/39/887846939.db2.gz FPKWSQAKMHCMDM-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN COCCn1cc(C(=O)N[C@H](C)CNCC(N)=O)cn1 ZINC001374841273 887847083 /nfs/dbraw/zinc/84/70/83/887847083.db2.gz QSOVBNMLYWSFEX-SECBINFHSA-N 0 3 283.332 -1.277 20 0 CAADHN CCn1nc(C(=O)N[C@H](C)CN[C@H](C)C(N)=O)ccc1=O ZINC001374822618 887847234 /nfs/dbraw/zinc/84/72/34/887847234.db2.gz OITRFKGIXBXEDS-RKDXNWHRSA-N 0 3 295.343 -1.155 20 0 CAADHN C[C@@H](CNCc1nnnn1C)NC(=O)[C@@H]1CCCN1C ZINC001374873084 887847316 /nfs/dbraw/zinc/84/73/16/887847316.db2.gz MAVYWXPCWCAPGZ-UWVGGRQHSA-N 0 3 281.364 -1.101 20 0 CAADHN C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)[C@H](C)NC(N)=O ZINC001374877908 887847524 /nfs/dbraw/zinc/84/75/24/887847524.db2.gz IHDSFHOJFRLNJF-GUBZILKMSA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1nnc[n-]1 ZINC001374872620 887847626 /nfs/dbraw/zinc/84/76/26/887847626.db2.gz AGHGCUWVXSPHSV-DTWKUNHWSA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CS(C)(=O)=O ZINC001374870216 887847718 /nfs/dbraw/zinc/84/77/18/887847718.db2.gz PUQYNGPXBKRFOI-DTWKUNHWSA-N 0 3 291.373 -1.644 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1COCCO1 ZINC001374865993 887847738 /nfs/dbraw/zinc/84/77/38/887847738.db2.gz CTNXZAINLADZMF-UWVGGRQHSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)Cn1cncn1 ZINC001374843874 887848038 /nfs/dbraw/zinc/84/80/38/887848038.db2.gz AAPSUHUWKLRISC-NXEZZACHSA-N 0 3 280.332 -1.349 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H](NC(C)=O)C(C)C ZINC001374835122 887848085 /nfs/dbraw/zinc/84/80/85/887848085.db2.gz ZWOXOWKUOYEIJM-BXKDBHETSA-N 0 3 286.376 -1.013 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1nnn(C)c1C ZINC001374871234 887848636 /nfs/dbraw/zinc/84/86/36/887848636.db2.gz GJWBBEDCRLHRQL-YUMQZZPRSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](CNCc1nnnn1C)NC(=O)[C@H]1CCCN1C ZINC001374873085 887849176 /nfs/dbraw/zinc/84/91/76/887849176.db2.gz MAVYWXPCWCAPGZ-VHSXEESVSA-N 0 3 281.364 -1.101 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)CNC(=O)OC ZINC001374867659 887849269 /nfs/dbraw/zinc/84/92/69/887849269.db2.gz JXQLJJAWANWXAJ-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1cnccn1 ZINC001374864799 887849339 /nfs/dbraw/zinc/84/93/39/887849339.db2.gz UMUSOMPFFGQYIK-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN CCOCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001374864544 887849806 /nfs/dbraw/zinc/84/98/06/887849806.db2.gz UERRVQLSANPZDU-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)COCc1nncn1C ZINC001374830265 887849905 /nfs/dbraw/zinc/84/99/05/887849905.db2.gz UUSFGLZNWUEVJM-MRVPVSSYSA-N 0 3 284.320 -2.089 20 0 CAADHN CCn1nncc1C(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001374881277 887850827 /nfs/dbraw/zinc/85/08/27/887850827.db2.gz OCIRNZBVDBVARU-IUCAKERBSA-N 0 3 280.332 -1.106 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001374904202 887851074 /nfs/dbraw/zinc/85/10/74/887851074.db2.gz QPYSMLXZDSGQBJ-JTQLQIEISA-N 0 3 299.375 -2.399 20 0 CAADHN Cc1ncc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)n1C ZINC001374926017 887851270 /nfs/dbraw/zinc/85/12/70/887851270.db2.gz ICXJXEKRNRAXLS-ZETCQYMHSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001374918263 887851428 /nfs/dbraw/zinc/85/14/28/887851428.db2.gz HPTHBHBBTBRSQO-QFOLPQNPSA-N 0 3 285.344 -1.383 20 0 CAADHN CCn1nncc1C(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001374881276 887851790 /nfs/dbraw/zinc/85/17/90/887851790.db2.gz OCIRNZBVDBVARU-DTWKUNHWSA-N 0 3 280.332 -1.106 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1csnn1 ZINC001374915637 887851851 /nfs/dbraw/zinc/85/18/51/887851851.db2.gz ANUNLLJEUNIZDK-YFKPBYRVSA-N 0 3 286.317 -1.559 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H](C)CNCC(N)=O ZINC001374887223 887851913 /nfs/dbraw/zinc/85/19/13/887851913.db2.gz SXZLRXRIQTZVKL-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cn1ncnn1)C(=O)NC1CC1 ZINC001374890104 887851939 /nfs/dbraw/zinc/85/19/39/887851939.db2.gz PPGYFPCHQXWQDO-DTWKUNHWSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001374893738 887852046 /nfs/dbraw/zinc/85/20/46/887852046.db2.gz ATHCFWFZFZDLKQ-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001374905602 887852259 /nfs/dbraw/zinc/85/22/59/887852259.db2.gz QYGFIQURWXHWNH-JGVFFNPUSA-N 0 3 279.362 -1.740 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001374925614 887852467 /nfs/dbraw/zinc/85/24/67/887852467.db2.gz KBYDVHSBNIBDKW-WCBMZHEXSA-N 0 3 297.359 -1.712 20 0 CAADHN CC[C@@H](C)NC(=O)CNC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001374920964 887852552 /nfs/dbraw/zinc/85/25/52/887852552.db2.gz BWCRXQDRZKGEMK-BDAKNGLRSA-N 0 3 297.363 -1.167 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cccn2nnnc12 ZINC001374888282 887852889 /nfs/dbraw/zinc/85/28/89/887852889.db2.gz DBKWIRBWDZGSGS-QMMMGPOBSA-N 0 3 291.315 -1.422 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H](C)CNCC(N)=O ZINC001374890066 887852924 /nfs/dbraw/zinc/85/29/24/887852924.db2.gz AAEDQETXJRGXSY-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001374922849 887853451 /nfs/dbraw/zinc/85/34/51/887853451.db2.gz WJKMDAOJWGGCCG-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CN1CCCNC1=O)C(N)=O ZINC001374907288 887853493 /nfs/dbraw/zinc/85/34/93/887853493.db2.gz WLEPAUUIJKUOIQ-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001374923282 887853673 /nfs/dbraw/zinc/85/36/73/887853673.db2.gz WXHFJPJKUULWAL-VHSXEESVSA-N 0 3 299.375 -2.353 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001374903198 887853778 /nfs/dbraw/zinc/85/37/78/887853778.db2.gz CKNLIMCRVSTICP-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cccc(C(N)=O)n1 ZINC001374982235 887855056 /nfs/dbraw/zinc/85/50/56/887855056.db2.gz VVDCVLXNLQHLRZ-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN Cc1nocc1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001374932083 887855161 /nfs/dbraw/zinc/85/51/61/887855161.db2.gz URRNDRUZROKTPL-LURJTMIESA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)Cn1cnnn1 ZINC001375000248 887855252 /nfs/dbraw/zinc/85/52/52/887855252.db2.gz FRUYILYEWHKCBB-JTQLQIEISA-N 0 3 293.335 -1.599 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cnn(CCOC)c1 ZINC001374966901 887855455 /nfs/dbraw/zinc/85/54/55/887855455.db2.gz YXPXKXGOFGRPJK-JTQLQIEISA-N 0 3 297.359 -1.017 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001374927722 887855620 /nfs/dbraw/zinc/85/56/20/887855620.db2.gz QXBXUGUPDMDSPX-YUMQZZPRSA-N 0 3 280.332 -1.196 20 0 CAADHN CCn1nc(C(=O)N[C@@H](C)CNCC(=O)NC)ccc1=O ZINC001374942176 887855635 /nfs/dbraw/zinc/85/56/35/887855635.db2.gz NGWWXJNEWBNOMX-VIFPVBQESA-N 0 3 295.343 -1.283 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)COCc1nncn1C ZINC001374952556 887856849 /nfs/dbraw/zinc/85/68/49/887856849.db2.gz MMCBZUCPRQZDFE-IUCAKERBSA-N 0 3 298.347 -1.700 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001374977962 887856972 /nfs/dbraw/zinc/85/69/72/887856972.db2.gz DQROJTQCOTUOHE-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCC(=O)NC1=O ZINC001374958573 887857197 /nfs/dbraw/zinc/85/71/97/887857197.db2.gz QGAGXWAISBZAHZ-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ccncn1 ZINC001374943353 887857244 /nfs/dbraw/zinc/85/72/44/887857244.db2.gz KFZAVUIVQOFVPK-QMMMGPOBSA-N 0 3 291.315 -1.194 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001375001791 887857279 /nfs/dbraw/zinc/85/72/79/887857279.db2.gz LSPUXDKMXOBRAG-NXEZZACHSA-N 0 3 286.336 -1.883 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001375001826 887857294 /nfs/dbraw/zinc/85/72/94/887857294.db2.gz LSPUXDKMXOBRAG-ZJUUUORDSA-N 0 3 286.336 -1.883 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N[C@@H](C)CNCC(=O)NC ZINC001374935566 887857504 /nfs/dbraw/zinc/85/75/04/887857504.db2.gz LGZHDRVZLPUPOO-WPRPVWTQSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001375063088 887858344 /nfs/dbraw/zinc/85/83/44/887858344.db2.gz JEKMOZLJNTUXRU-VHSXEESVSA-N 0 3 297.359 -1.025 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001375029672 887861441 /nfs/dbraw/zinc/86/14/41/887861441.db2.gz AVRWUIGGVHDXOC-VHSXEESVSA-N 0 3 285.348 -1.128 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001375154780 887864345 /nfs/dbraw/zinc/86/43/45/887864345.db2.gz QCDRQGGYRLMTMA-IUCAKERBSA-N 0 3 279.362 -1.893 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001375210443 887865341 /nfs/dbraw/zinc/86/53/41/887865341.db2.gz CHYDACBVSRGVPH-WPRPVWTQSA-N 0 3 283.328 -1.091 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001375264871 887865756 /nfs/dbraw/zinc/86/57/56/887865756.db2.gz MLQGVFXFFSLIEH-VIFPVBQESA-N 0 3 285.348 -1.725 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)c1cnn(C)c1N)C1CC1)C(N)=O ZINC001375216265 887865786 /nfs/dbraw/zinc/86/57/86/887865786.db2.gz HLULFEOCNJMSIV-GMSGAONNSA-N 0 3 294.359 -1.026 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001375212608 887865878 /nfs/dbraw/zinc/86/58/78/887865878.db2.gz FNJYWILYMJSOKF-NXEZZACHSA-N 0 3 282.344 -1.505 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)c1cnn(C)c1N)C1CC1)C(N)=O ZINC001375216281 887865897 /nfs/dbraw/zinc/86/58/97/887865897.db2.gz HLULFEOCNJMSIV-XCBNKYQSSA-N 0 3 294.359 -1.026 20 0 CAADHN CO[C@@H](C)C(=O)N[C@@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001375204389 887866080 /nfs/dbraw/zinc/86/60/80/887866080.db2.gz CLBOQBAVOHAHIL-CBAPKCEASA-N 0 3 286.332 -1.299 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001375207819 887866120 /nfs/dbraw/zinc/86/61/20/887866120.db2.gz FFCKEVRWZKBREL-JTQLQIEISA-N 0 3 282.344 -1.518 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001375243049 887866520 /nfs/dbraw/zinc/86/65/20/887866520.db2.gz QRWBPUXCZIQBNZ-VIFPVBQESA-N 0 3 295.343 -1.030 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001375228085 887866667 /nfs/dbraw/zinc/86/66/67/887866667.db2.gz JGMBVQBNCABVFL-ZJUUUORDSA-N 0 3 282.344 -1.518 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H]1CCN1C[C@@H]1CCOC1 ZINC001375292443 887868784 /nfs/dbraw/zinc/86/87/84/887868784.db2.gz IBENPXVKURHBID-WDEREUQCSA-N 0 3 280.332 -1.100 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H]1CCN1C[C@@H]1CCOC1 ZINC001375292440 887869713 /nfs/dbraw/zinc/86/97/13/887869713.db2.gz IBENPXVKURHBID-QWRGUYRKSA-N 0 3 280.332 -1.100 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H]1CCN1CC1CC1 ZINC001375320709 887872632 /nfs/dbraw/zinc/87/26/32/887872632.db2.gz MVNLEOMELBXCFV-GFCCVEGCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCCN1CC[C@H]1CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001375347097 887873258 /nfs/dbraw/zinc/87/32/58/887873258.db2.gz FNEJLKWBDXGQKL-QWRGUYRKSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@H]2COCCO2)CC1)C(N)=O ZINC001375395746 887873582 /nfs/dbraw/zinc/87/35/82/887873582.db2.gz COPYNUBROAEKFB-NXEZZACHSA-N 0 3 285.344 -1.096 20 0 CAADHN CC[C@@H](NC1(CNC(=O)c2ncn(C)n2)CC1)C(N)=O ZINC001375412611 887874781 /nfs/dbraw/zinc/87/47/81/887874781.db2.gz IIQKMUKJHFDYES-MRVPVSSYSA-N 0 3 280.332 -1.069 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@@H]2COCCO2)CC1)C(N)=O ZINC001375395747 887876068 /nfs/dbraw/zinc/87/60/68/887876068.db2.gz COPYNUBROAEKFB-UWVGGRQHSA-N 0 3 285.344 -1.096 20 0 CAADHN CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001375508910 887881774 /nfs/dbraw/zinc/88/17/74/887881774.db2.gz FQDVATXGGAFSKS-LPEHRKFASA-N 0 3 294.359 -1.034 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@H](N(CCO)CCO)C2)n1 ZINC001375624435 887882358 /nfs/dbraw/zinc/88/23/58/887882358.db2.gz VJOLIGMYMXUJAR-JTQLQIEISA-N 0 3 298.347 -1.899 20 0 CAADHN O=C(Cc1nnc[nH]1)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001375619019 887882699 /nfs/dbraw/zinc/88/26/99/887882699.db2.gz JDYCMKWWYRKRSY-LLVKDONJSA-N 0 3 297.359 -1.375 20 0 CAADHN CNC(=O)NCC(=O)N1CCCCC[C@@H](NCC(N)=O)C1 ZINC001375643327 887885727 /nfs/dbraw/zinc/88/57/27/887885727.db2.gz JNRLRPCNSFGZEA-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CNC(=O)NCC(=O)N1CCCCC[C@H](NCC(N)=O)C1 ZINC001375643323 887887755 /nfs/dbraw/zinc/88/77/55/887887755.db2.gz JNRLRPCNSFGZEA-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN COCC(=O)N1CCC[C@H]1CN[C@@H](C)C(=O)NC(N)=O ZINC001375738552 887889928 /nfs/dbraw/zinc/88/99/28/887889928.db2.gz KTPOVTXPVAMDLU-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)CCNC(N)=O)C(N)=O ZINC001375768482 887890098 /nfs/dbraw/zinc/89/00/98/887890098.db2.gz TXACXDQPHMKFSW-BDAKNGLRSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001375738080 887890214 /nfs/dbraw/zinc/89/02/14/887890214.db2.gz ICRYYTSVHLOAPN-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001375737427 887890256 /nfs/dbraw/zinc/89/02/56/887890256.db2.gz GRCQRKVVUISNPG-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN C[C@H](CC(=O)N1CCC[C@H]1CNCC(N)=O)NC(N)=O ZINC001375747052 887890450 /nfs/dbraw/zinc/89/04/50/887890450.db2.gz FQBNHYMRDDMLIA-BDAKNGLRSA-N 0 3 285.348 -1.501 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001375837945 887890528 /nfs/dbraw/zinc/89/05/28/887890528.db2.gz NZZVTMLSFZDCQH-JTQLQIEISA-N 0 3 294.377 -2.387 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)CCNC(N)=O)C(N)=O ZINC001375768487 887890660 /nfs/dbraw/zinc/89/06/60/887890660.db2.gz TXACXDQPHMKFSW-RKDXNWHRSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001375737421 887890703 /nfs/dbraw/zinc/89/07/03/887890703.db2.gz GRCQRKVVUISNPG-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001375760663 887890789 /nfs/dbraw/zinc/89/07/89/887890789.db2.gz LNLXGXLBQBONCR-SNVBAGLBSA-N 0 3 297.359 -2.516 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)C1CS(=O)(=O)C1 ZINC001375747752 887890794 /nfs/dbraw/zinc/89/07/94/887890794.db2.gz ICDLASNXSHYATG-VIFPVBQESA-N 0 3 289.357 -1.903 20 0 CAADHN C[C@@H](CC(=O)N1CCC[C@H]1CNCC(N)=O)NC(N)=O ZINC001375747053 887890799 /nfs/dbraw/zinc/89/07/99/887890799.db2.gz FQBNHYMRDDMLIA-IUCAKERBSA-N 0 3 285.348 -1.501 20 0 CAADHN COC[C@H](O)CN1CC[C@@](C)(NC(=O)Cn2cncn2)C1 ZINC001375853012 887890837 /nfs/dbraw/zinc/89/08/37/887890837.db2.gz ZRARZJYVEIERJE-DGCLKSJQSA-N 0 3 297.359 -1.134 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001375760539 887890897 /nfs/dbraw/zinc/89/08/97/887890897.db2.gz KZWGAOIHYDDZJG-AXFHLTTASA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)CCNC(N)=O)C(N)=O ZINC001375768484 887891035 /nfs/dbraw/zinc/89/10/35/887891035.db2.gz TXACXDQPHMKFSW-DTWKUNHWSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001375863796 887892606 /nfs/dbraw/zinc/89/26/06/887892606.db2.gz VYALCDNTFGYFSE-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)CNC1(CNC(=O)c2cnon2)CCOCC1 ZINC001375978470 887893026 /nfs/dbraw/zinc/89/30/26/887893026.db2.gz CGROZHLNYPZOLK-UHFFFAOYSA-N 0 3 297.315 -1.316 20 0 CAADHN O=C(CN1CCCC1=O)NC[C@]1(O)CCN(CCO)C1 ZINC001376000037 887893385 /nfs/dbraw/zinc/89/33/85/887893385.db2.gz XYAZYZVGRPCUMH-CYBMUJFWSA-N 0 3 285.344 -1.846 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CCC(=O)N2)CCOCC1 ZINC001375985563 887893435 /nfs/dbraw/zinc/89/34/35/887893435.db2.gz QONFILDZTRBKRN-VIFPVBQESA-N 0 3 298.343 -1.995 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@@H]1CCCOC1 ZINC001376003105 887893754 /nfs/dbraw/zinc/89/37/54/887893754.db2.gz GPXYSDBOVQSVGS-DGCLKSJQSA-N 0 3 272.345 -1.042 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001375992352 887895300 /nfs/dbraw/zinc/89/53/00/887895300.db2.gz ANMDACIRCCQJNL-SKDRFNHKSA-N 0 3 273.333 -1.944 20 0 CAADHN Cc1cnn(CC(=O)NC[C@]2(O)CCN(CCO)C2)c1 ZINC001376003910 887897590 /nfs/dbraw/zinc/89/75/90/887897590.db2.gz HMYMFIIOYFLQNO-CYBMUJFWSA-N 0 3 282.344 -1.263 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2cnnn2C)C1 ZINC001376041757 887899720 /nfs/dbraw/zinc/89/97/20/887899720.db2.gz WVAQZDKHJPATBA-LBPRGKRZSA-N 0 3 283.332 -1.372 20 0 CAADHN O=C(CCCn1cncn1)NC[C@]1(O)CCN(CCO)C1 ZINC001376087482 887903074 /nfs/dbraw/zinc/90/30/74/887903074.db2.gz HRMHUFJIIUCIKP-CYBMUJFWSA-N 0 3 297.359 -1.396 20 0 CAADHN CN1CCC[C@@H]1C(=O)NCCN1CCN(CCO)CC1 ZINC001376089055 887903197 /nfs/dbraw/zinc/90/31/97/887903197.db2.gz JTLBYUKTYMEFRL-CYBMUJFWSA-N 0 3 284.404 -1.193 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001376112086 887903787 /nfs/dbraw/zinc/90/37/87/887903787.db2.gz QUFBEVRJYLSVJK-ZJUUUORDSA-N 0 3 296.327 -1.006 20 0 CAADHN O=C(CNC(=O)N1CCCC1)N[C@@H]1CCN(CCO)C1 ZINC001376116731 887906124 /nfs/dbraw/zinc/90/61/24/887906124.db2.gz GZUJKUGSLCVWAK-LLVKDONJSA-N 0 3 284.360 -1.025 20 0 CAADHN CC[C@@H](C(=O)NCCN1CCN(CC(N)=O)CC1)N(C)C ZINC001376119084 887906360 /nfs/dbraw/zinc/90/63/60/887906360.db2.gz SJCKRVUMSZJIIH-LBPRGKRZSA-N 0 3 299.419 -1.454 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001376157723 887909029 /nfs/dbraw/zinc/90/90/29/887909029.db2.gz VRTAETLJXHFEDG-ZJUUUORDSA-N 0 3 293.389 -1.374 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001376142681 887909286 /nfs/dbraw/zinc/90/92/86/887909286.db2.gz HAOOJLNETFZHCQ-NXEZZACHSA-N 0 3 283.332 -1.075 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001376142704 887910352 /nfs/dbraw/zinc/91/03/52/887910352.db2.gz HEMDDJOBJDMWFJ-UWVGGRQHSA-N 0 3 298.343 -1.063 20 0 CAADHN COC[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001376158857 887912263 /nfs/dbraw/zinc/91/22/63/887912263.db2.gz HEVKCBLPDBTPSN-ZJUUUORDSA-N 0 3 283.332 -1.455 20 0 CAADHN COC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001376158857 887912266 /nfs/dbraw/zinc/91/22/66/887912266.db2.gz HEVKCBLPDBTPSN-ZJUUUORDSA-N 0 3 283.332 -1.455 20 0 CAADHN COC[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001376158854 887913152 /nfs/dbraw/zinc/91/31/52/887913152.db2.gz HEVKCBLPDBTPSN-NXEZZACHSA-N 0 3 283.332 -1.455 20 0 CAADHN COC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001376158854 887913160 /nfs/dbraw/zinc/91/31/60/887913160.db2.gz HEVKCBLPDBTPSN-NXEZZACHSA-N 0 3 283.332 -1.455 20 0 CAADHN C[C@H](N[C@H](CNC(=O)CN1CCOCC1)C1CC1)C(N)=O ZINC001376204036 887915432 /nfs/dbraw/zinc/91/54/32/887915432.db2.gz GRNMACKZFZCYDT-CMPLNLGQSA-N 0 3 298.387 -1.323 20 0 CAADHN Cn1nncc1C(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001376224648 887915852 /nfs/dbraw/zinc/91/58/52/887915852.db2.gz VJGMRFSLABYODE-UWVGGRQHSA-N 0 3 292.343 -1.198 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001376213669 887916053 /nfs/dbraw/zinc/91/60/53/887916053.db2.gz LGRHHCOGKAAHAT-VIFPVBQESA-N 0 3 279.300 -1.235 20 0 CAADHN CC(C)(C(=O)NCC1(O)CN(CC(N)=O)C1)N1CCCC1 ZINC001376223720 887916394 /nfs/dbraw/zinc/91/63/94/887916394.db2.gz PCNPNZONGMAMIZ-UHFFFAOYSA-N 0 3 298.387 -1.491 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001376243773 887918167 /nfs/dbraw/zinc/91/81/67/887918167.db2.gz VENQLZYUPGEYBB-UWVGGRQHSA-N 0 3 297.359 -1.760 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001376283151 887918300 /nfs/dbraw/zinc/91/83/00/887918300.db2.gz WYCOGRDEGLFIHG-QWRGUYRKSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C1CC1 ZINC001376241426 887918435 /nfs/dbraw/zinc/91/84/35/887918435.db2.gz KVFLQRGXZFOWOH-GHMZBOCLSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C1CC1 ZINC001376241428 887918463 /nfs/dbraw/zinc/91/84/63/887918463.db2.gz KVFLQRGXZFOWOH-WDEREUQCSA-N 0 3 296.371 -1.162 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001376261496 887918475 /nfs/dbraw/zinc/91/84/75/887918475.db2.gz WVZLTZUCDGXKAS-GHMZBOCLSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@H](C(=O)NCC1(O)CN([C@H](C)C(N)=O)C1)N(C)C ZINC001376268805 887918923 /nfs/dbraw/zinc/91/89/23/887918923.db2.gz CCWDALJXHXIHIO-NXEZZACHSA-N 0 3 286.376 -1.637 20 0 CAADHN CC[C@@H](C(=O)NCC1(O)CN([C@H](C)C(N)=O)C1)N(C)C ZINC001376268827 887919153 /nfs/dbraw/zinc/91/91/53/887919153.db2.gz CCWDALJXHXIHIO-ZJUUUORDSA-N 0 3 286.376 -1.637 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001376283154 887919269 /nfs/dbraw/zinc/91/92/69/887919269.db2.gz WYCOGRDEGLFIHG-WDEREUQCSA-N 0 3 296.371 -1.033 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001376315749 887921025 /nfs/dbraw/zinc/92/10/25/887921025.db2.gz XRMJAMPDYAAPDM-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CC[C@H](NCCF)C1 ZINC001376329828 887921061 /nfs/dbraw/zinc/92/10/61/887921061.db2.gz KMINAXLBOCPYTP-JTQLQIEISA-N 0 3 288.323 -1.601 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001376305443 887921190 /nfs/dbraw/zinc/92/11/90/887921190.db2.gz LLIWAWKVWGZTHN-PWSUYJOCSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001376315852 887921217 /nfs/dbraw/zinc/92/12/17/887921217.db2.gz ZESQYFPFOGHCFL-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001376305433 887921408 /nfs/dbraw/zinc/92/14/08/887921408.db2.gz LLIWAWKVWGZTHN-JQWIXIFHSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001376332106 887921568 /nfs/dbraw/zinc/92/15/68/887921568.db2.gz KYHHWXHIRSVLCS-SCZZXKLOSA-N 0 3 284.360 -1.035 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001376315747 887921692 /nfs/dbraw/zinc/92/16/92/887921692.db2.gz XRMJAMPDYAAPDM-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001376320570 887921727 /nfs/dbraw/zinc/92/17/27/887921727.db2.gz YKYOWJRFKASNRH-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001376332113 887921827 /nfs/dbraw/zinc/92/18/27/887921827.db2.gz KYHHWXHIRSVLCS-WPRPVWTQSA-N 0 3 284.360 -1.035 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)c2nc[nH]n2)C1)NC1CC1 ZINC001376334158 887921962 /nfs/dbraw/zinc/92/19/62/887921962.db2.gz UIZSNHBLHVWBQS-VIFPVBQESA-N 0 3 278.316 -1.113 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001376327780 887922345 /nfs/dbraw/zinc/92/23/45/887922345.db2.gz CIRFEZQSSOBHDN-AXFHLTTASA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001376301819 887922363 /nfs/dbraw/zinc/92/23/63/887922363.db2.gz YHKRSLVFORCAOS-SCZZXKLOSA-N 0 3 295.347 -1.708 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001376321393 887922407 /nfs/dbraw/zinc/92/24/07/887922407.db2.gz RUHWGMMNTSHFQK-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001376312304 887922414 /nfs/dbraw/zinc/92/24/14/887922414.db2.gz PPZQICAWBPJYRR-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001376321392 887922419 /nfs/dbraw/zinc/92/24/19/887922419.db2.gz RUHWGMMNTSHFQK-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cocn2)C1 ZINC001376318145 887922453 /nfs/dbraw/zinc/92/24/53/887922453.db2.gz DEFIQSLYMUZASU-ZETCQYMHSA-N 0 3 281.272 -1.326 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC001376319737 887922584 /nfs/dbraw/zinc/92/25/84/887922584.db2.gz ILPUWVFXYIWQMD-ZJUUUORDSA-N 0 3 298.343 -1.202 20 0 CAADHN CC(C)(C)[C@H](NC(N)=O)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001376340071 887924891 /nfs/dbraw/zinc/92/48/91/887924891.db2.gz ZTCXOZIUSRZABX-WCBMZHEXSA-N 0 3 299.375 -1.255 20 0 CAADHN CCCNC(=O)CCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001376338661 887925078 /nfs/dbraw/zinc/92/50/78/887925078.db2.gz PJXJYGOOJQNRIN-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001376342671 887925258 /nfs/dbraw/zinc/92/52/58/887925258.db2.gz DVYZPIFTCOQWGK-VIFPVBQESA-N 0 3 293.327 -1.336 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1 ZINC001376463361 887931899 /nfs/dbraw/zinc/93/18/99/887931899.db2.gz LHJAWAYNAPOFON-DTORHVGOSA-N 0 3 289.357 -1.986 20 0 CAADHN CC(=O)NCC(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001376534505 887937248 /nfs/dbraw/zinc/93/72/48/887937248.db2.gz WWHAVLVEZXIQOJ-QMMMGPOBSA-N 0 3 274.321 -2.593 20 0 CAADHN CO[C@H](C)C(=O)N(CCO)CCN[C@H](C)C(=O)N(C)C ZINC001376533823 887937533 /nfs/dbraw/zinc/93/75/33/887937533.db2.gz CQJPUSVMBNJZRW-GHMZBOCLSA-N 0 3 289.376 -1.092 20 0 CAADHN CCOCC(=O)N(CCO)CCN[C@@H]1CCN(C)C1=O ZINC001376531409 887938471 /nfs/dbraw/zinc/93/84/71/887938471.db2.gz MFEKNOYPOUECPU-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)c2cocn2)C1=O ZINC001376536098 887939668 /nfs/dbraw/zinc/93/96/68/887939668.db2.gz GFHGBEMZHKLIJB-JTQLQIEISA-N 0 3 296.327 -1.071 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cncnc1)C(N)=O ZINC001376532797 887939962 /nfs/dbraw/zinc/93/99/62/887939962.db2.gz BYFZVJBNNOFLNJ-SECBINFHSA-N 0 3 281.316 -1.626 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001376552674 887941127 /nfs/dbraw/zinc/94/11/27/887941127.db2.gz WQIMXQHBZJTRFC-HTQZYQBOSA-N 0 3 287.320 -3.048 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ncn(C)n1)C(N)=O ZINC001376539169 887941488 /nfs/dbraw/zinc/94/14/88/887941488.db2.gz LUZACPURKPLCCL-MRVPVSSYSA-N 0 3 284.320 -2.287 20 0 CAADHN O=C([C@@H]1CCCCO1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001376540613 887941665 /nfs/dbraw/zinc/94/16/65/887941665.db2.gz QHMFHRKCDKJZPD-NEPJUHHUSA-N 0 3 299.371 -1.146 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cn[nH]c1)C(N)=O ZINC001376538208 887942117 /nfs/dbraw/zinc/94/21/17/887942117.db2.gz JPOKPXHWCBLSBK-SNVBAGLBSA-N 0 3 283.332 -1.302 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N(CCO)CCN[C@H]1CCNC1=O ZINC001376549311 887942975 /nfs/dbraw/zinc/94/29/75/887942975.db2.gz MMKCQRIORLRCEP-IUCAKERBSA-N 0 3 299.331 -3.033 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cn[nH]c1)C(N)=O ZINC001376538204 887943090 /nfs/dbraw/zinc/94/30/90/887943090.db2.gz JPOKPXHWCBLSBK-JTQLQIEISA-N 0 3 283.332 -1.302 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1ccnn1C ZINC001376544435 887943623 /nfs/dbraw/zinc/94/36/23/887943623.db2.gz YGVPPBISYWNZKN-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN CC[C@@H](C(=O)NC[C@H]1COCCN1CC(N)=O)N(C)C ZINC001376655737 887944863 /nfs/dbraw/zinc/94/48/63/887944863.db2.gz MZFNCHKRMCROIT-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H]1COCCN1CC(N)=O)N(C)C ZINC001376655734 887945678 /nfs/dbraw/zinc/94/56/78/887945678.db2.gz MZFNCHKRMCROIT-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001376632543 887945745 /nfs/dbraw/zinc/94/57/45/887945745.db2.gz VXZCUCSECDMXKK-SRQGCSHVSA-N 0 3 295.343 -2.022 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001376605238 887945812 /nfs/dbraw/zinc/94/58/12/887945812.db2.gz BNCYSZCKLPFRDF-UWVGGRQHSA-N 0 3 282.344 -1.279 20 0 CAADHN Cc1n[nH]nc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001376618885 887946212 /nfs/dbraw/zinc/94/62/12/887946212.db2.gz FBTWKOHCHDJCNU-SECBINFHSA-N 0 3 296.331 -1.974 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001376605242 887946707 /nfs/dbraw/zinc/94/67/07/887946707.db2.gz BNCYSZCKLPFRDF-ZJUUUORDSA-N 0 3 282.344 -1.279 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cnco1)C(N)=O ZINC001376634530 887947031 /nfs/dbraw/zinc/94/70/31/887947031.db2.gz PITQHVWWDQFWOX-SECBINFHSA-N 0 3 284.316 -1.037 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)COC ZINC001376680573 887948157 /nfs/dbraw/zinc/94/81/57/887948157.db2.gz HKKRCTLFFIAQPK-YUMQZZPRSA-N 0 3 274.321 -1.429 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001376694713 887947745 /nfs/dbraw/zinc/94/77/45/887947745.db2.gz OQXFGRPCKGTWBM-RKDXNWHRSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)N[C@@H]1CCNC1=O ZINC001376695562 887948969 /nfs/dbraw/zinc/94/89/69/887948969.db2.gz QUOQOTULLCUNSY-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CN1C[C@@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)NC1=O ZINC001376685581 887949296 /nfs/dbraw/zinc/94/92/96/887949296.db2.gz LFEKBYFHZFOWJH-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1ccn[nH]1 ZINC001376690624 887949479 /nfs/dbraw/zinc/94/94/79/887949479.db2.gz AOVGPVGTHSMRSL-YUMQZZPRSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@H](CNC(=O)Cc1cnn(C)c1)N[C@@H]1CCNC1=O ZINC001376694350 887949789 /nfs/dbraw/zinc/94/97/89/887949789.db2.gz JAILOPUMOLROMA-MWLCHTKSSA-N 0 3 279.344 -1.055 20 0 CAADHN COCC(=O)NC[C@@H](C)NCC(=O)N1CCO[C@H](C)C1 ZINC001376681206 887949872 /nfs/dbraw/zinc/94/98/72/887949872.db2.gz LMYPMJGNGRWPFM-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)NCCS(C)(=O)=O ZINC001376697576 887949888 /nfs/dbraw/zinc/94/98/88/887949888.db2.gz FTJBIDCNKPLRSA-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)N[C@@H]1CCNC1=O ZINC001376694348 887949936 /nfs/dbraw/zinc/94/99/36/887949936.db2.gz JAILOPUMOLROMA-GXSJLCMTSA-N 0 3 279.344 -1.055 20 0 CAADHN Cc1cnc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)cn1 ZINC001376685850 887949951 /nfs/dbraw/zinc/94/99/51/887949951.db2.gz BWBSZQGVLCGMNC-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN Cc1cnc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)cn1 ZINC001376685849 887950067 /nfs/dbraw/zinc/95/00/67/887950067.db2.gz BWBSZQGVLCGMNC-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cn(C)cn1 ZINC001376707209 887951994 /nfs/dbraw/zinc/95/19/94/887951994.db2.gz HPPZVAHXWYEMHF-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)N(C)C1CC1 ZINC001376701945 887952110 /nfs/dbraw/zinc/95/21/10/887952110.db2.gz MSHNTUYNQZKUCF-GXSJLCMTSA-N 0 3 296.371 -1.020 20 0 CAADHN Cc1cc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)ncn1 ZINC001376707239 887952465 /nfs/dbraw/zinc/95/24/65/887952465.db2.gz HUBNUZPBAJQBJV-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)NCCS(C)(=O)=O ZINC001376712359 887952538 /nfs/dbraw/zinc/95/25/38/887952538.db2.gz BIEOXLNMRJILMB-QMMMGPOBSA-N 0 3 289.361 -1.432 20 0 CAADHN C[C@H](CNC(=O)CS(C)(=O)=O)N[C@@H]1CCCNC1=O ZINC001376704055 887952602 /nfs/dbraw/zinc/95/26/02/887952602.db2.gz HVLQYULPSYDKGB-RKDXNWHRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@@H](CNC(=O)Cn1cccn1)NCC(=O)NC(N)=O ZINC001376700013 887952849 /nfs/dbraw/zinc/95/28/49/887952849.db2.gz RXKPAJPZVCGBAI-QMMMGPOBSA-N 0 3 282.304 -1.828 20 0 CAADHN C[C@H](CNC(=O)Cn1cccn1)NCC(=O)NC(N)=O ZINC001376700012 887952881 /nfs/dbraw/zinc/95/28/81/887952881.db2.gz RXKPAJPZVCGBAI-MRVPVSSYSA-N 0 3 282.304 -1.828 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001376713956 887953135 /nfs/dbraw/zinc/95/31/35/887953135.db2.gz IEXWTINHQVXDBS-BDAKNGLRSA-N 0 3 286.332 -1.286 20 0 CAADHN C[C@@H](CNC(=O)CS(C)(=O)=O)N[C@H]1CCCNC1=O ZINC001376704054 887953339 /nfs/dbraw/zinc/95/33/39/887953339.db2.gz HVLQYULPSYDKGB-IUCAKERBSA-N 0 3 291.373 -1.596 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)cnn1 ZINC001376721779 887953362 /nfs/dbraw/zinc/95/33/62/887953362.db2.gz HZSKQBGFCGYGOO-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@H](CNC(=O)CS(C)(=O)=O)N[C@H]1CCCNC1=O ZINC001376704049 887953736 /nfs/dbraw/zinc/95/37/36/887953736.db2.gz HVLQYULPSYDKGB-BDAKNGLRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COCCO1)NCC(=O)N1CCC1 ZINC001376701719 887953942 /nfs/dbraw/zinc/95/39/42/887953942.db2.gz QJICLFYXWFDJKE-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)N(C)C1CC1 ZINC001376701946 887954105 /nfs/dbraw/zinc/95/41/05/887954105.db2.gz MSHNTUYNQZKUCF-MWLCHTKSSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(=O)NC1CC1 ZINC001376730248 887955878 /nfs/dbraw/zinc/95/58/78/887955878.db2.gz JGDSAFHQLSYGQL-UWVGGRQHSA-N 0 3 296.371 -1.162 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001376749135 887956147 /nfs/dbraw/zinc/95/61/47/887956147.db2.gz UWRWAIMIUANKDA-BDAKNGLRSA-N 0 3 288.348 -1.941 20 0 CAADHN COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001376747383 887956288 /nfs/dbraw/zinc/95/62/88/887956288.db2.gz JIVCDXCIYPSKOF-DTWKUNHWSA-N 0 3 284.316 -1.103 20 0 CAADHN C[C@@H](CNC(=O)[C@]1(C)CCNC(=O)C1)NCC(N)=O ZINC001376764290 887956324 /nfs/dbraw/zinc/95/63/24/887956324.db2.gz OPQKJJQAEMBJPW-QPUJVOFHSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001376755500 887956356 /nfs/dbraw/zinc/95/63/56/887956356.db2.gz JAFLIRDRNXBPIF-IUCAKERBSA-N 0 3 298.347 -2.060 20 0 CAADHN C[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)NCC(N)=O ZINC001376764283 887956367 /nfs/dbraw/zinc/95/63/67/887956367.db2.gz OPQKJJQAEMBJPW-PRHODGIISA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001376755505 887956426 /nfs/dbraw/zinc/95/64/26/887956426.db2.gz JAFLIRDRNXBPIF-RKDXNWHRSA-N 0 3 298.347 -2.060 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001376755488 887956521 /nfs/dbraw/zinc/95/65/21/887956521.db2.gz JAFLIRDRNXBPIF-BDAKNGLRSA-N 0 3 298.347 -2.060 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001376785894 887956582 /nfs/dbraw/zinc/95/65/82/887956582.db2.gz QGLMWAMIJZKHRU-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2COC(=O)N2)CCC1 ZINC001376734930 887956643 /nfs/dbraw/zinc/95/66/43/887956643.db2.gz MZTYKPFDCPEBEN-MRVPVSSYSA-N 0 3 284.316 -1.531 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001376785886 887956829 /nfs/dbraw/zinc/95/68/29/887956829.db2.gz QGLMWAMIJZKHRU-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN Cn1ncc(CCC(=O)NCC2(NCC(N)=O)CCC2)n1 ZINC001376783458 887956922 /nfs/dbraw/zinc/95/69/22/887956922.db2.gz LTPHXVFYFDXPAC-UHFFFAOYSA-N 0 3 294.359 -1.139 20 0 CAADHN COc1c[nH]c(C(=O)NC[C@@H](C)N[C@@H](C)C(N)=O)cc1=O ZINC001376770747 887956969 /nfs/dbraw/zinc/95/69/69/887956969.db2.gz BKQPGWVHUDIKLB-SFYZADRCSA-N 0 3 296.327 -1.035 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001376749162 887957102 /nfs/dbraw/zinc/95/71/02/887957102.db2.gz UWRWAIMIUANKDA-RKDXNWHRSA-N 0 3 288.348 -1.941 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCC1(NCC(=O)N(C)C)CCC1 ZINC001376737106 887957146 /nfs/dbraw/zinc/95/71/46/887957146.db2.gz YZHVUYCSPNPWOV-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(=O)NC1CC1 ZINC001376730250 887957164 /nfs/dbraw/zinc/95/71/64/887957164.db2.gz JGDSAFHQLSYGQL-ZJUUUORDSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CC1(F)F)NCC(=O)NC(N)=O ZINC001376726726 887957348 /nfs/dbraw/zinc/95/73/48/887957348.db2.gz JKRJBFHHRHUEBR-RITPCOANSA-N 0 3 278.259 -1.069 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)NCC(N)=O ZINC001376734061 887957591 /nfs/dbraw/zinc/95/75/91/887957591.db2.gz UBIPRVCRHKZQCX-ZETCQYMHSA-N 0 3 283.336 -1.379 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001376781618 887957805 /nfs/dbraw/zinc/95/78/05/887957805.db2.gz FOCSFFRCTPYQFI-JTQLQIEISA-N 0 3 299.375 -2.351 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001376831710 887959399 /nfs/dbraw/zinc/95/93/99/887959399.db2.gz AIENBOOATPUVHJ-SECBINFHSA-N 0 3 285.300 -1.823 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001376825990 887959472 /nfs/dbraw/zinc/95/94/72/887959472.db2.gz AMOWMMFUHRZMEU-SNVBAGLBSA-N 0 3 293.327 -1.347 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001376822873 887960371 /nfs/dbraw/zinc/96/03/71/887960371.db2.gz ODKJZZOWXZUMSJ-JGVFFNPUSA-N 0 3 272.349 -1.131 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCc1cnn(C)c1 ZINC001376795364 887960459 /nfs/dbraw/zinc/96/04/59/887960459.db2.gz BDUDONFTVRKBCZ-PSASIEDQSA-N 0 3 280.332 -1.304 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001376817096 887960742 /nfs/dbraw/zinc/96/07/42/887960742.db2.gz JNQSYFRZOOTMKE-MRVPVSSYSA-N 0 3 296.331 -1.519 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)NCc1ccnn1C ZINC001376798094 887960773 /nfs/dbraw/zinc/96/07/73/887960773.db2.gz VEXYOUWOBFLONH-QMMMGPOBSA-N 0 3 278.320 -1.148 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2cncs2)CCO1 ZINC001376838151 887960912 /nfs/dbraw/zinc/96/09/12/887960912.db2.gz GBEYKEFMTWRUSU-SECBINFHSA-N 0 3 298.368 -1.012 20 0 CAADHN NC(=O)CNC1(CNC(=O)CCn2cnnn2)CCC1 ZINC001376802407 887960931 /nfs/dbraw/zinc/96/09/31/887960931.db2.gz KUDJKIQSAURQBR-UHFFFAOYSA-N 0 3 281.320 -1.823 20 0 CAADHN CCCC[C@H](N[C@@H](C)CNC(=O)c1nnn(C)n1)C(N)=O ZINC001376798129 887960969 /nfs/dbraw/zinc/96/09/69/887960969.db2.gz VSEFRELCFVMRRG-IUCAKERBSA-N 0 3 297.363 -1.038 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CNS(=O)(=O)NC ZINC001376787773 887960994 /nfs/dbraw/zinc/96/09/94/887960994.db2.gz RQCBWDOZTVEBJO-ZETCQYMHSA-N 0 3 295.365 -3.120 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)NCCS(C)(=O)=O ZINC001376816932 887961244 /nfs/dbraw/zinc/96/12/44/887961244.db2.gz CYVPXXBACDRPGY-QMMMGPOBSA-N 0 3 289.361 -1.432 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001376790077 887961076 /nfs/dbraw/zinc/96/10/76/887961076.db2.gz UKXLUHQXOGIWMQ-BXKDBHETSA-N 0 3 297.359 -1.052 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001376790079 887961155 /nfs/dbraw/zinc/96/11/55/887961155.db2.gz UKXLUHQXOGIWMQ-CABZTGNLSA-N 0 3 297.359 -1.052 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001376790081 887961206 /nfs/dbraw/zinc/96/12/06/887961206.db2.gz UKXLUHQXOGIWMQ-SKDRFNHKSA-N 0 3 297.359 -1.052 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001376834965 887961219 /nfs/dbraw/zinc/96/12/19/887961219.db2.gz HMOBBNZYXNBRDI-GXSJLCMTSA-N 0 3 295.343 -1.025 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CS(=O)(=O)NC)C(N)=O ZINC001376870337 887963438 /nfs/dbraw/zinc/96/34/38/887963438.db2.gz RPVDJPNBRXGUDP-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)CCO1 ZINC001376851361 887962364 /nfs/dbraw/zinc/96/23/64/887962364.db2.gz UCGLRWRNTARFHU-NXEZZACHSA-N 0 3 298.343 -2.185 20 0 CAADHN CN1C[C@@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC1=O ZINC001376839600 887962414 /nfs/dbraw/zinc/96/24/14/887962414.db2.gz AFWLCJYELDVRLR-UWVGGRQHSA-N 0 3 298.343 -2.233 20 0 CAADHN CN1C[C@H](C(=O)N2CCO[C@H](CNCC(N)=O)C2)NC1=O ZINC001376864823 887962481 /nfs/dbraw/zinc/96/24/81/887962481.db2.gz IXXWTHGGUODFFV-RKDXNWHRSA-N 0 3 299.331 -2.688 20 0 CAADHN Cc1ccnn1CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001376843508 887962575 /nfs/dbraw/zinc/96/25/75/887962575.db2.gz NMWJDABSFZTAPK-LLVKDONJSA-N 0 3 295.343 -1.506 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CCNC2=O)CCO1 ZINC001376851373 887963012 /nfs/dbraw/zinc/96/30/12/887963012.db2.gz UCGLRWRNTARFHU-ZJUUUORDSA-N 0 3 298.343 -2.185 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)C2CC(OC)C2)CCO1 ZINC001376843284 887963036 /nfs/dbraw/zinc/96/30/36/887963036.db2.gz PDIDWOUAOQFWAD-HTAVTVPLSA-N 0 3 299.371 -1.026 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CS(=O)(=O)NC)C(N)=O ZINC001376870310 887963271 /nfs/dbraw/zinc/96/32/71/887963271.db2.gz RPVDJPNBRXGUDP-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCNC(N)=O)C(=O)N(C)C ZINC001376869056 887963365 /nfs/dbraw/zinc/96/33/65/887963365.db2.gz VVUILYYSSTZCTR-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](CNC(=O)CN1CCCCCC1=O)NCC(N)=O ZINC001376858500 887963420 /nfs/dbraw/zinc/96/34/20/887963420.db2.gz CJQMIIKWLIXGCC-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN Cc1c[nH]c(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)n1 ZINC001376849344 887963468 /nfs/dbraw/zinc/96/34/68/887963468.db2.gz XYKGNLBXJCAUNE-VIFPVBQESA-N 0 3 281.316 -1.366 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)N[C@@H](C)C(=O)N(C)C ZINC001376869058 887963497 /nfs/dbraw/zinc/96/34/97/887963497.db2.gz VVUILYYSSTZCTR-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](O)C[NH2+]C[C@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001376844162 887963517 /nfs/dbraw/zinc/96/35/17/887963517.db2.gz PVHVENBZKWNOPD-UWVGGRQHSA-N 0 3 296.327 -1.006 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)N[C@H]1CCCNC1=O ZINC001376858285 887963601 /nfs/dbraw/zinc/96/36/01/887963601.db2.gz CQAARFBBXKPHTE-ZJUUUORDSA-N 0 3 280.332 -1.349 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2cccnc2)CCO1 ZINC001376853543 887963758 /nfs/dbraw/zinc/96/37/58/887963758.db2.gz KEXXITHFKRFQBY-LBPRGKRZSA-N 0 3 292.339 -1.074 20 0 CAADHN CN1C[C@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)NC1=O ZINC001376864817 887963796 /nfs/dbraw/zinc/96/37/96/887963796.db2.gz IXXWTHGGUODFFV-DTWKUNHWSA-N 0 3 299.331 -2.688 20 0 CAADHN CCn1nccc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001376854127 887963884 /nfs/dbraw/zinc/96/38/84/887963884.db2.gz KYALPUUIZQGOLL-SNVBAGLBSA-N 0 3 295.343 -1.181 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cnnn2C)CCO1)C(N)=O ZINC001376848585 887964029 /nfs/dbraw/zinc/96/40/29/887964029.db2.gz NEJRHCMXJAAIFZ-BDAKNGLRSA-N 0 3 296.331 -1.881 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)NCC1CC1 ZINC001376856925 887964152 /nfs/dbraw/zinc/96/41/52/887964152.db2.gz SEHXMXHRTGASHY-ONGXEEELSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)N[C@H]1CCCNC1=O ZINC001376858271 887964167 /nfs/dbraw/zinc/96/41/67/887964167.db2.gz CQAARFBBXKPHTE-UWVGGRQHSA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)c2cnc[n-]c2=O)CCO1 ZINC001376844169 887964189 /nfs/dbraw/zinc/96/41/89/887964189.db2.gz PVHVENBZKWNOPD-VHSXEESVSA-N 0 3 296.327 -1.006 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001376862290 887964224 /nfs/dbraw/zinc/96/42/24/887964224.db2.gz FXBICHKHFKJEAF-JGVFFNPUSA-N 0 3 295.343 -1.044 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CC2(F)F)CCO1 ZINC001376845075 887964302 /nfs/dbraw/zinc/96/43/02/887964302.db2.gz JKKCLRRQHBVGGO-YUMQZZPRSA-N 0 3 277.271 -1.056 20 0 CAADHN Cc1nc[nH]c1CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001376849496 887964395 /nfs/dbraw/zinc/96/43/95/887964395.db2.gz LKNZZAFIRMPZEB-JTQLQIEISA-N 0 3 295.343 -1.437 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N[C@@H](C)C(=O)N(C)C ZINC001376869054 887964461 /nfs/dbraw/zinc/96/44/61/887964461.db2.gz VVUILYYSSTZCTR-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001376862292 887964466 /nfs/dbraw/zinc/96/44/66/887964466.db2.gz FXBICHKHFKJEAF-SFYZADRCSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1)C(N)=O ZINC001376851898 887964505 /nfs/dbraw/zinc/96/45/05/887964505.db2.gz HEBZYAQOKVOGPX-VHSXEESVSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2ccnnc2)CCO1)C(N)=O ZINC001376847563 887964511 /nfs/dbraw/zinc/96/45/11/887964511.db2.gz UNPXERZJUJIIPE-MWLCHTKSSA-N 0 3 293.327 -1.219 20 0 CAADHN Cc1ncc(CC(=O)N2CCO[C@@H](CNCC(N)=O)C2)o1 ZINC001376844747 887964522 /nfs/dbraw/zinc/96/45/22/887964522.db2.gz HZFLBQFPSWGAHP-NSHDSACASA-N 0 3 296.327 -1.172 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001376916016 887965528 /nfs/dbraw/zinc/96/55/28/887965528.db2.gz PJQDZKIUIIHRQR-SFYZADRCSA-N 0 3 281.320 -1.851 20 0 CAADHN COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001376899860 887965622 /nfs/dbraw/zinc/96/56/22/887965622.db2.gz GJEIYLZLUUUZIC-UWVGGRQHSA-N 0 3 296.327 -1.006 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001376874539 887965656 /nfs/dbraw/zinc/96/56/56/887965656.db2.gz YJUIFRWVQVTEIJ-SFYZADRCSA-N 0 3 294.377 -2.236 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001376916019 887966294 /nfs/dbraw/zinc/96/62/94/887966294.db2.gz PJQDZKIUIIHRQR-YUMQZZPRSA-N 0 3 281.320 -1.851 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001376898510 887966541 /nfs/dbraw/zinc/96/65/41/887966541.db2.gz PHKDGUIBPZJWBD-JOYOIKCWSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001376898512 887966572 /nfs/dbraw/zinc/96/65/72/887966572.db2.gz PHKDGUIBPZJWBD-SKDRFNHKSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001376912358 887966592 /nfs/dbraw/zinc/96/65/92/887966592.db2.gz QYKMHZTWUIDJOZ-VWYCJHECSA-N 0 3 296.371 -1.176 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001376899518 887966718 /nfs/dbraw/zinc/96/67/18/887966718.db2.gz XGQQCRUSDGEBNT-VIFPVBQESA-N 0 3 281.320 -2.048 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2ccon2)C1 ZINC001376897822 887966812 /nfs/dbraw/zinc/96/68/12/887966812.db2.gz XWDPTVZKJRNORP-QMMMGPOBSA-N 0 3 295.299 -1.066 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001376899182 887966825 /nfs/dbraw/zinc/96/68/25/887966825.db2.gz WBAJXPXVLLZBQF-WPRPVWTQSA-N 0 3 297.359 -1.488 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001376899046 887967463 /nfs/dbraw/zinc/96/74/63/887967463.db2.gz PVEVTDVDLWTLSS-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001376897435 887966881 /nfs/dbraw/zinc/96/68/81/887966881.db2.gz HSEIMFVXHKUACB-VIFPVBQESA-N 0 3 280.332 -1.293 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CS(=O)(=O)NC ZINC001376872431 887967080 /nfs/dbraw/zinc/96/70/80/887967080.db2.gz VOHZORPATAEYJM-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1)NC1CC1 ZINC001376899444 887967135 /nfs/dbraw/zinc/96/71/35/887967135.db2.gz XJVLDCYHCVDVGR-UWVGGRQHSA-N 0 3 296.327 -1.436 20 0 CAADHN C[C@H](CNC(=O)Cn1ccnc1)N[C@H](C)C(=O)NC(N)=O ZINC001376887681 887967862 /nfs/dbraw/zinc/96/78/62/887967862.db2.gz QXYLNADHJHUJMG-RKDXNWHRSA-N 0 3 296.331 -1.439 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001376896246 887967884 /nfs/dbraw/zinc/96/78/84/887967884.db2.gz PHPDZDZVNJZKQM-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN COc1ncnc(OC)c1C(=O)NC[C@H](C)NCC(N)=O ZINC001376917506 887967948 /nfs/dbraw/zinc/96/79/48/887967948.db2.gz CVQMOQXRCGJKOF-ZETCQYMHSA-N 0 3 297.315 -1.313 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CS(=O)(=O)NC ZINC001376872427 887967959 /nfs/dbraw/zinc/96/79/59/887967959.db2.gz VOHZORPATAEYJM-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001376883374 887968015 /nfs/dbraw/zinc/96/80/15/887968015.db2.gz IKHAEUHRKAFVBN-JTQLQIEISA-N 0 3 270.333 -1.551 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001376967021 887969938 /nfs/dbraw/zinc/96/99/38/887969938.db2.gz FUBFMVNFERMKEO-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001376967018 887970481 /nfs/dbraw/zinc/97/04/81/887970481.db2.gz FUBFMVNFERMKEO-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001376977092 887970532 /nfs/dbraw/zinc/97/05/32/887970532.db2.gz WUZSDVQSDSAOOY-YUMQZZPRSA-N 0 3 292.361 -2.400 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001376946538 887970784 /nfs/dbraw/zinc/97/07/84/887970784.db2.gz ZWUACJNJLWSERL-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CNC(=O)CCc1cn(C)nn1)N[C@H]1CCNC1=O ZINC001376929363 887970901 /nfs/dbraw/zinc/97/09/01/887970901.db2.gz OIOMFSOFXLFFIO-KOLCDFICSA-N 0 3 294.359 -1.270 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1COCCO1 ZINC001377125493 887974875 /nfs/dbraw/zinc/97/48/75/887974875.db2.gz CRIOBBXHWDURIU-WDEREUQCSA-N 0 3 276.333 -1.543 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H](C)NC(C)=O ZINC001377117476 887975969 /nfs/dbraw/zinc/97/59/69/887975969.db2.gz SOOKQVYTFWNDLL-ONGXEEELSA-N 0 3 275.349 -1.434 20 0 CAADHN C[C@@H](CCNC(=O)Cc1nnc[n-]1)[NH2+]CC(=O)N(C)C ZINC001377090780 887976155 /nfs/dbraw/zinc/97/61/55/887976155.db2.gz GWTUKICENNPMKY-VIFPVBQESA-N 0 3 282.348 -1.080 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)CN(C)C(C)=O ZINC001377125395 887976316 /nfs/dbraw/zinc/97/63/16/887976316.db2.gz CGDMDXRIZWXEGP-LLVKDONJSA-N 0 3 275.349 -1.480 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)Cn1cccn1 ZINC001377117455 887976291 /nfs/dbraw/zinc/97/62/91/887976291.db2.gz MEAYLSROQOTVOH-NSHDSACASA-N 0 3 270.333 -1.062 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1COCCO1 ZINC001377125486 887976438 /nfs/dbraw/zinc/97/64/38/887976438.db2.gz CRIOBBXHWDURIU-GHMZBOCLSA-N 0 3 276.333 -1.543 20 0 CAADHN CN(CCNC(=O)C1=NC(=O)N(C)C1)[C@@H]1CCNC1=O ZINC001377213553 887981708 /nfs/dbraw/zinc/98/17/08/887981708.db2.gz MTNFSUKABPRMTM-SECBINFHSA-N 0 3 281.316 -1.324 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001377219220 887983345 /nfs/dbraw/zinc/98/33/45/887983345.db2.gz PCEHFJZFQGVDRD-XHNCKOQMSA-N 0 3 285.348 -1.502 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1)C(N)=O ZINC001377219215 887983415 /nfs/dbraw/zinc/98/34/15/887983415.db2.gz PCEHFJZFQGVDRD-HRDYMLBCSA-N 0 3 285.348 -1.502 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1[nH]nnc1C ZINC001377206688 887983916 /nfs/dbraw/zinc/98/39/16/887983916.db2.gz RRSSWRRJIALRCY-VIFPVBQESA-N 0 3 271.321 -1.218 20 0 CAADHN CNC(=O)NC(=O)CNCC1(NC(C)=O)CCOCC1 ZINC001377176005 887983988 /nfs/dbraw/zinc/98/39/88/887983988.db2.gz IUHKTDGZSRJNHY-UHFFFAOYSA-N 0 3 286.332 -1.283 20 0 CAADHN C[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1NCC(=O)N(C)C ZINC001377255469 887985276 /nfs/dbraw/zinc/98/52/76/887985276.db2.gz ARNBUWLAQCAREL-UWVGGRQHSA-N 0 3 294.359 -1.047 20 0 CAADHN COCCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001377258348 887985454 /nfs/dbraw/zinc/98/54/54/887985454.db2.gz XHPVUQLKALBQFS-DTWKUNHWSA-N 0 3 286.332 -1.346 20 0 CAADHN CN(CCNC(=O)c1cnon1)C[C@H](O)Cn1cccn1 ZINC001377233427 887986205 /nfs/dbraw/zinc/98/62/05/887986205.db2.gz CQNVYUFISZKSBB-JTQLQIEISA-N 0 3 294.315 -1.011 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C ZINC001377257734 887986536 /nfs/dbraw/zinc/98/65/36/887986536.db2.gz GJQLFNMWMGZZHJ-MNOVXSKESA-N 0 3 294.359 -1.149 20 0 CAADHN C[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NCC(=O)N(C)C ZINC001377255914 887986739 /nfs/dbraw/zinc/98/67/39/887986739.db2.gz NYINGZKTCQQDRE-VHSXEESVSA-N 0 3 295.347 -1.802 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N(C)C)C1 ZINC001377262372 887986821 /nfs/dbraw/zinc/98/68/21/887986821.db2.gz WZMDZGOXCQKMOU-ZJUUUORDSA-N 0 3 299.375 -1.560 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC(N)=O)C1 ZINC001377257415 887986998 /nfs/dbraw/zinc/98/69/98/887986998.db2.gz RZHPEEBAGLMHCO-APPZFPTMSA-N 0 3 299.331 -2.246 20 0 CAADHN COCCN(C)CCNC(=O)c1nccnc1C(N)=O ZINC001377257896 887987571 /nfs/dbraw/zinc/98/75/71/887987571.db2.gz WVGYNBXJAMSCDG-UHFFFAOYSA-N 0 3 281.316 -1.117 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1C[C@H](C)[C@H](NCCF)C1 ZINC001377274864 887987938 /nfs/dbraw/zinc/98/79/38/887987938.db2.gz LKECOFLQNNDHJD-DTWKUNHWSA-N 0 3 296.368 -1.554 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1NCC(=O)N(C)C ZINC001377255480 887988083 /nfs/dbraw/zinc/98/80/83/887988083.db2.gz ARNBUWLAQCAREL-ZJUUUORDSA-N 0 3 294.359 -1.047 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2n[nH]nc2C)C[C@@H]1C ZINC001377277833 887989479 /nfs/dbraw/zinc/98/94/79/887989479.db2.gz OLSHSWBYXLCFCB-CBAPKCEASA-N 0 3 280.332 -1.091 20 0 CAADHN CCO[C@@H]1C[C@@H]1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001377344091 887989583 /nfs/dbraw/zinc/98/95/83/887989583.db2.gz VYIOCSIHSNSTLJ-WDEREUQCSA-N 0 3 299.371 -1.160 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001377288920 887990390 /nfs/dbraw/zinc/99/03/90/887990390.db2.gz RSASTJRPTDCFFH-BDAKNGLRSA-N 0 3 285.348 -1.773 20 0 CAADHN C[C@H](NCC1(O)CCN(C(=O)[C@@H]2CCOC2)CC1)C(N)=O ZINC001377343622 887990986 /nfs/dbraw/zinc/99/09/86/887990986.db2.gz UNLNOCQJUCOKRX-WDEREUQCSA-N 0 3 299.371 -1.160 20 0 CAADHN CCO[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001377344084 887991525 /nfs/dbraw/zinc/99/15/25/887991525.db2.gz VYIOCSIHSNSTLJ-GHMZBOCLSA-N 0 3 299.371 -1.160 20 0 CAADHN CCO[C@H]1C[C@@H]1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001377344088 887991842 /nfs/dbraw/zinc/99/18/42/887991842.db2.gz VYIOCSIHSNSTLJ-QWRGUYRKSA-N 0 3 299.371 -1.160 20 0 CAADHN C[C@H](NCC1(O)CCN(C(=O)[C@H]2CCOC2)CC1)C(N)=O ZINC001377343619 887991947 /nfs/dbraw/zinc/99/19/47/887991947.db2.gz UNLNOCQJUCOKRX-QWRGUYRKSA-N 0 3 299.371 -1.160 20 0 CAADHN Cn1ncc(C(=O)N2CCC(O)(CNCC(N)=O)CC2)n1 ZINC001377352884 887993700 /nfs/dbraw/zinc/99/37/00/887993700.db2.gz CMTPCVBVKIATGW-UHFFFAOYSA-N 0 3 296.331 -2.143 20 0 CAADHN COC[C@H](O)CN1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001377382944 887994012 /nfs/dbraw/zinc/99/40/12/887994012.db2.gz WNLIFQOFFUEDQV-WDEREUQCSA-N 0 3 298.347 -1.739 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001377426910 887997515 /nfs/dbraw/zinc/99/75/15/887997515.db2.gz ZUYMQBHPWKMZGA-RYUDHWBXSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(=O)NCC(=O)NC[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001377426908 887997549 /nfs/dbraw/zinc/99/75/49/887997549.db2.gz ZUYMQBHPWKMZGA-NEPJUHHUSA-N 0 3 296.371 -1.161 20 0 CAADHN COC[C@@H](O)CN(CCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001377568977 887999970 /nfs/dbraw/zinc/99/99/70/887999970.db2.gz YSIPTPFPCJZMHS-RYUDHWBXSA-N 0 3 299.371 -1.147 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)CCOC ZINC001377568875 888001023 /nfs/dbraw/zinc/00/10/23/888001023.db2.gz BLSXRXHVJIQZEP-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN Cn1nnc(C(=O)NC2(CO)CCN(CCCO)CC2)n1 ZINC001377570298 888002157 /nfs/dbraw/zinc/00/21/57/888002157.db2.gz XBPXBBKHOXPDEZ-UHFFFAOYSA-N 0 3 298.347 -1.851 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001377584152 888004787 /nfs/dbraw/zinc/00/47/87/888004787.db2.gz BZVCHIMKQCKFOE-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001377576256 888003897 /nfs/dbraw/zinc/00/38/97/888003897.db2.gz BITSVDWYTSWAAT-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cn(C)c(=O)n1C ZINC001377600798 888004029 /nfs/dbraw/zinc/00/40/29/888004029.db2.gz MKFUEHLNOKSGAR-VIFPVBQESA-N 0 3 295.343 -1.726 20 0 CAADHN C[C@H](CC(=O)N(C)CCN[C@@H]1CCNC1=O)NC(N)=O ZINC001377579833 888004166 /nfs/dbraw/zinc/00/41/66/888004166.db2.gz RLGUPBJMOIOVQE-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CNC(=O)N1)C(=O)N(C)C ZINC001377582870 888004459 /nfs/dbraw/zinc/00/44/59/888004459.db2.gz VJRLGFIUHQUMLA-DTWKUNHWSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CNC(=O)N1)C(=O)N(C)C ZINC001377582871 888004546 /nfs/dbraw/zinc/00/45/46/888004546.db2.gz VJRLGFIUHQUMLA-IUCAKERBSA-N 0 3 285.348 -1.808 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CCn1ccnn1 ZINC001377575197 888004645 /nfs/dbraw/zinc/00/46/45/888004645.db2.gz IMXKGTVXDUONNU-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001377576260 888004679 /nfs/dbraw/zinc/00/46/79/888004679.db2.gz BITSVDWYTSWAAT-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cc(C(N)=O)ccn1)C(N)=O ZINC001377600762 888004829 /nfs/dbraw/zinc/00/48/29/888004829.db2.gz MGNXJJPFRNJCDX-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN C[C@@H](CC(=O)N(C)CCN[C@@H]1CCNC1=O)NC(N)=O ZINC001377579811 888004998 /nfs/dbraw/zinc/00/49/98/888004998.db2.gz RLGUPBJMOIOVQE-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1ncnn1)C(=O)NC1CC1 ZINC001377574556 888005120 /nfs/dbraw/zinc/00/51/20/888005120.db2.gz GJCUORFYDGHBQB-SECBINFHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccncn1)C(=O)NC(N)=O ZINC001377594145 888005156 /nfs/dbraw/zinc/00/51/56/888005156.db2.gz LRKWTSCNUVFUJX-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cnc2n1CCOC2)C(N)=O ZINC001377573680 888005216 /nfs/dbraw/zinc/00/52/16/888005216.db2.gz KTVHICOBUDOTOR-VIFPVBQESA-N 0 3 295.343 -1.051 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CCn1ccnn1 ZINC001377577558 888005449 /nfs/dbraw/zinc/00/54/49/888005449.db2.gz NAYBCNHDLZZIGJ-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN C[C@H](CC(=O)N(C)CCN[C@H]1CCNC1=O)NC(N)=O ZINC001377579806 888005359 /nfs/dbraw/zinc/00/53/59/888005359.db2.gz RLGUPBJMOIOVQE-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN COc1c(C(=O)N(C)CCN[C@H](C)C(N)=O)cnn1C ZINC001377592766 888005404 /nfs/dbraw/zinc/00/54/04/888005404.db2.gz WFZCIVNPRJRUAL-MRVPVSSYSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cc(C(N)=O)ccn1)C(N)=O ZINC001377600758 888005457 /nfs/dbraw/zinc/00/54/57/888005457.db2.gz MGNXJJPFRNJCDX-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1nnn(C)c1C ZINC001377586457 888005497 /nfs/dbraw/zinc/00/54/97/888005497.db2.gz IUYMNLWXRMHOQN-QMMMGPOBSA-N 0 3 282.348 -1.080 20 0 CAADHN CCCS(=O)(=O)CC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001377596441 888005528 /nfs/dbraw/zinc/00/55/28/888005528.db2.gz HXNDTWMVCCLOPK-SECBINFHSA-N 0 3 293.389 -1.267 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cnn(C)n1)C(=O)N(C)C ZINC001377594292 888005563 /nfs/dbraw/zinc/00/55/63/888005563.db2.gz PWRCPWZRYSFIIB-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CNC(=O)N1)C(=O)N(C)C ZINC001377582869 888005598 /nfs/dbraw/zinc/00/55/98/888005598.db2.gz VJRLGFIUHQUMLA-BDAKNGLRSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001377578572 888005665 /nfs/dbraw/zinc/00/56/65/888005665.db2.gz OKIPORMEOYPWSI-YUMQZZPRSA-N 0 3 271.321 -2.020 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCNC(=O)CC1)C(N)=O ZINC001377584634 888005779 /nfs/dbraw/zinc/00/57/79/888005779.db2.gz BZGDNAYZHNCXLA-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001377588957 888005920 /nfs/dbraw/zinc/00/59/20/888005920.db2.gz HCAAKWNSWGRNPD-UTLUCORTSA-N 0 3 282.344 -1.566 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)c1nnn(C)n1 ZINC001377576149 888006322 /nfs/dbraw/zinc/00/63/22/888006322.db2.gz ATWLSOJEJVCSDJ-SECBINFHSA-N 0 3 295.347 -1.508 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cc2n(n1)CCO2)C(N)=O ZINC001377578174 888006350 /nfs/dbraw/zinc/00/63/50/888006350.db2.gz UPUMVVBPZVWUAP-QMMMGPOBSA-N 0 3 281.316 -1.189 20 0 CAADHN COc1c(C(=O)N(C)CCN[C@H]2CCNC2=O)cnn1C ZINC001377587046 888006396 /nfs/dbraw/zinc/00/63/96/888006396.db2.gz BYIFQPFLTKWMHS-JTQLQIEISA-N 0 3 295.343 -1.021 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CCNC(N)=O ZINC001377601617 888006544 /nfs/dbraw/zinc/00/65/44/888006544.db2.gz ZTMQPRLKEUODCO-SECBINFHSA-N 0 3 285.348 -1.677 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccn2nnnc2c1)C(N)=O ZINC001377594182 888006567 /nfs/dbraw/zinc/00/65/67/888006567.db2.gz XNZNFRPTKPATFE-QMMMGPOBSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccc(=O)n(C)c1)C(N)=O ZINC001377674113 888007342 /nfs/dbraw/zinc/00/73/42/888007342.db2.gz XYUWTFHGNDWXMV-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001377725872 888009179 /nfs/dbraw/zinc/00/91/79/888009179.db2.gz WJRJQDUKPKCZHX-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CN1CCCNC1=O)C(N)=O ZINC001377655611 888009527 /nfs/dbraw/zinc/00/95/27/888009527.db2.gz OAMHGNNXBDIIQN-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@@H](NC(=O)c1cc(=O)n(C)cn1)[C@H](C)NCC(N)=O ZINC001377813256 888010790 /nfs/dbraw/zinc/01/07/90/888010790.db2.gz VLIKXMUVCBWQOD-JGVFFNPUSA-N 0 3 281.316 -1.638 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001377795595 888010830 /nfs/dbraw/zinc/01/08/30/888010830.db2.gz MZBNKOQYNCCYSJ-GARJFASQSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CN1CCCC1=O ZINC001377773042 888010936 /nfs/dbraw/zinc/01/09/36/888010936.db2.gz UBYBPJIXSFTQKV-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cn(C)cn1 ZINC001377788588 888010956 /nfs/dbraw/zinc/01/09/56/888010956.db2.gz QJIRRUNWHHGDQZ-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)Cn1cnnn1 ZINC001377749471 888010988 /nfs/dbraw/zinc/01/09/88/888010988.db2.gz GGVOOCGZCREWDQ-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001377846979 888011072 /nfs/dbraw/zinc/01/10/72/888011072.db2.gz QRCYCDVWYIKZRX-YFKTTZPYSA-N 0 3 299.371 -1.304 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001377819802 888011345 /nfs/dbraw/zinc/01/13/45/888011345.db2.gz SHIHFFHUCMHBKY-RKDXNWHRSA-N 0 3 298.347 -2.060 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001377795596 888011940 /nfs/dbraw/zinc/01/19/40/888011940.db2.gz MZBNKOQYNCCYSJ-OUAUKWLOSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC1CC1 ZINC001377757531 888012018 /nfs/dbraw/zinc/01/20/18/888012018.db2.gz GNBKOLHLQKYOGR-DTWKUNHWSA-N 0 3 284.360 -1.116 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CN1CCCC1=O ZINC001377773039 888012104 /nfs/dbraw/zinc/01/21/04/888012104.db2.gz UBYBPJIXSFTQKV-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)NCC(N)=O ZINC001377819795 888012134 /nfs/dbraw/zinc/01/21/34/888012134.db2.gz SHIHFFHUCMHBKY-DTWKUNHWSA-N 0 3 298.347 -2.060 20 0 CAADHN C[N@@H+](CC(N)=O)C[C@@H]1CCN(C(=O)Cc2nnc[n-]2)C1 ZINC001377767258 888012289 /nfs/dbraw/zinc/01/22/89/888012289.db2.gz YFNUKSNEHOFPHV-VIFPVBQESA-N 0 3 280.332 -1.387 20 0 CAADHN C[N@H+](CC(N)=O)C[C@@H]1CCN(C(=O)Cc2nnc[n-]2)C1 ZINC001377767258 888012297 /nfs/dbraw/zinc/01/22/97/888012297.db2.gz YFNUKSNEHOFPHV-VIFPVBQESA-N 0 3 280.332 -1.387 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001377780198 888012335 /nfs/dbraw/zinc/01/23/35/888012335.db2.gz BDSLUYLWFXVBOY-VIFPVBQESA-N 0 3 299.375 -1.301 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CN1CCCC1=O ZINC001377773046 888012363 /nfs/dbraw/zinc/01/23/63/888012363.db2.gz UBYBPJIXSFTQKV-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1cn(C)cn1 ZINC001377788527 888012930 /nfs/dbraw/zinc/01/29/30/888012930.db2.gz QJIRRUNWHHGDQZ-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN CCOCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(=O)NC ZINC001377746862 888013606 /nfs/dbraw/zinc/01/36/06/888013606.db2.gz AUUPIXZZEVQIJZ-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cccc(=O)n1C ZINC001377856398 888016217 /nfs/dbraw/zinc/01/62/17/888016217.db2.gz QRZRYTDPQKNEHO-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cccc(=O)n1C ZINC001377856400 888016282 /nfs/dbraw/zinc/01/62/82/888016282.db2.gz QRZRYTDPQKNEHO-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](C)NCCF ZINC001377856316 888017092 /nfs/dbraw/zinc/01/70/92/888017092.db2.gz GPXDZLWNBLYKRC-DTWKUNHWSA-N 0 3 298.384 -1.165 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CCNC(N)=O ZINC001377899218 888018518 /nfs/dbraw/zinc/01/85/18/888018518.db2.gz LEBQOJYSBKXGDO-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001377911772 888018560 /nfs/dbraw/zinc/01/85/60/888018560.db2.gz OLTBWOKBYWHTRM-BQBZGAKWSA-N 0 3 297.315 -1.932 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CCNC(N)=O ZINC001377899213 888019012 /nfs/dbraw/zinc/01/90/12/888019012.db2.gz LEBQOJYSBKXGDO-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)[C@H](C)NCC(N)=O ZINC001377911810 888020907 /nfs/dbraw/zinc/02/09/07/888020907.db2.gz OLTBWOKBYWHTRM-NKWVEPMBSA-N 0 3 297.315 -1.932 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001377911820 888021821 /nfs/dbraw/zinc/02/18/21/888021821.db2.gz OLTBWOKBYWHTRM-RNFRBKRXSA-N 0 3 297.315 -1.932 20 0 CAADHN CC[C@@H](C(=O)NC1CN([C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001377930987 888022139 /nfs/dbraw/zinc/02/21/39/888022139.db2.gz CLNCBVPOXYQWPX-WPRPVWTQSA-N 0 3 299.375 -1.290 20 0 CAADHN CNC(=O)NCCC(=O)NCC1CN(C[C@@H](C)O)C1 ZINC001377975834 888026390 /nfs/dbraw/zinc/02/63/90/888026390.db2.gz WTYNDSBWLOTUJX-SECBINFHSA-N 0 3 272.349 -1.266 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)c1cnnn1C ZINC001378040404 888028927 /nfs/dbraw/zinc/02/89/27/888028927.db2.gz XITNWKVXCCKMMI-NXEZZACHSA-N 0 3 285.348 -1.128 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)CCn2cnnn2)C1 ZINC001378009578 888029557 /nfs/dbraw/zinc/02/95/57/888029557.db2.gz XIZCTCCDHLUFBN-NSHDSACASA-N 0 3 298.347 -1.882 20 0 CAADHN O=C(Cc1nnc[nH]1)NCC1CN(CCn2cncn2)C1 ZINC001378018141 888029675 /nfs/dbraw/zinc/02/96/75/888029675.db2.gz RRRUIYWDMHKSCY-UHFFFAOYSA-N 0 3 290.331 -1.313 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)CN(C)C(C)=O ZINC001378005474 888030407 /nfs/dbraw/zinc/03/04/07/888030407.db2.gz MAAKWUDMIAXMIK-ZYHUDNBSSA-N 0 3 289.376 -1.092 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001378098973 888033838 /nfs/dbraw/zinc/03/38/38/888033838.db2.gz DJQCLKACWIEAFD-JLLWLGSASA-N 0 3 287.360 -1.291 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001378108142 888033077 /nfs/dbraw/zinc/03/30/77/888033077.db2.gz GZRDRIMSWPROAK-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001378110609 888033534 /nfs/dbraw/zinc/03/35/34/888033534.db2.gz QLWGBIPQJRCTLA-IJLUTSLNSA-N 0 3 299.371 -1.338 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001378102201 888034075 /nfs/dbraw/zinc/03/40/75/888034075.db2.gz UTACELTZZJIXTL-ZJUUUORDSA-N 0 3 284.320 -2.129 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H]1CCN(CCO)C1 ZINC001378110666 888034270 /nfs/dbraw/zinc/03/42/70/888034270.db2.gz RAYNTCQMVPKLHD-SNVBAGLBSA-N 0 3 273.333 -1.726 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001378108146 888036892 /nfs/dbraw/zinc/03/68/92/888036892.db2.gz GZRDRIMSWPROAK-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)CNC(C)=O)C1 ZINC001378136563 888037533 /nfs/dbraw/zinc/03/75/33/888037533.db2.gz BBJYOJSFJILYEA-RYUDHWBXSA-N 0 3 287.360 -1.338 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001378119426 888037755 /nfs/dbraw/zinc/03/77/55/888037755.db2.gz IHYMWGWNNQJGDP-KXUCPTDWSA-N 0 3 286.332 -2.134 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H]1CCN(C[C@H](C)O)C1 ZINC001378112950 888038313 /nfs/dbraw/zinc/03/83/13/888038313.db2.gz JBEDNQGJUUIXGP-VHSXEESVSA-N 0 3 272.349 -1.123 20 0 CAADHN CN(C(=O)CCCS(N)(=O)=O)[C@H]1CCN(CCO)C1 ZINC001378164674 888039615 /nfs/dbraw/zinc/03/96/15/888039615.db2.gz JZGKQQWZNSGBPC-JTQLQIEISA-N 0 3 293.389 -1.420 20 0 CAADHN CCN1CC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001378112637 888039645 /nfs/dbraw/zinc/03/96/45/888039645.db2.gz TUSUAGOCRREASL-SNVBAGLBSA-N 0 3 270.333 -1.551 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001378150094 888039894 /nfs/dbraw/zinc/03/98/94/888039894.db2.gz KBAOEWHYVAMFRO-QWRGUYRKSA-N 0 3 297.359 -1.031 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H]1CCN(CCCO)C1 ZINC001378140385 888040542 /nfs/dbraw/zinc/04/05/42/888040542.db2.gz BNYXEOHGUMSUFZ-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)CNC(C)=O)C1 ZINC001378136560 888041274 /nfs/dbraw/zinc/04/12/74/888041274.db2.gz BBJYOJSFJILYEA-NEPJUHHUSA-N 0 3 287.360 -1.338 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001378187855 888042995 /nfs/dbraw/zinc/04/29/95/888042995.db2.gz CLZBTCVRVCPQHN-GHMZBOCLSA-N 0 3 297.359 -1.113 20 0 CAADHN CCN(C(=O)Cn1cnnn1)[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001378175575 888043054 /nfs/dbraw/zinc/04/30/54/888043054.db2.gz FMBZWFBPHUJVBI-GHMZBOCLSA-N 0 3 282.348 -1.023 20 0 CAADHN CC[C@H](CNC(=O)c1ncn(C)n1)N[C@@H]1CCNC1=O ZINC001378242627 888043215 /nfs/dbraw/zinc/04/32/15/888043215.db2.gz CAJIPQLEXKRVAB-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N(C)CCn1cncn1 ZINC001378209094 888045062 /nfs/dbraw/zinc/04/50/62/888045062.db2.gz BDXGJQZEEFXSLT-SNVBAGLBSA-N 0 3 297.363 -1.227 20 0 CAADHN C[C@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)CCO ZINC001378223663 888045640 /nfs/dbraw/zinc/04/56/40/888045640.db2.gz ZYPDPMXFBYJNRR-SECBINFHSA-N 0 3 281.378 -1.693 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)Cn1cnnn1 ZINC001378224459 888045854 /nfs/dbraw/zinc/04/58/54/888045854.db2.gz ZIOXWYXSAOKJND-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN CC[C@@H](CNC(=O)CCn1ncn(C)c1=O)NCC(N)=O ZINC001378272306 888046944 /nfs/dbraw/zinc/04/69/44/888046944.db2.gz IMGFEEMWWUZMLN-VIFPVBQESA-N 0 3 298.347 -2.058 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N(C)CC ZINC001378279210 888048002 /nfs/dbraw/zinc/04/80/02/888048002.db2.gz AHEYIAUAQNZDIC-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@H](CNC(=O)c1cccn2nnnc12)NCC(N)=O ZINC001378254658 888048178 /nfs/dbraw/zinc/04/81/78/888048178.db2.gz TYEWJARPTNZNPJ-MRVPVSSYSA-N 0 3 291.315 -1.292 20 0 CAADHN CC[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(=O)N(C)C ZINC001378292946 888048472 /nfs/dbraw/zinc/04/84/72/888048472.db2.gz QHKGBXGLZWFTND-VIFPVBQESA-N 0 3 295.343 -1.044 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(N)=O ZINC001378258509 888049012 /nfs/dbraw/zinc/04/90/12/888049012.db2.gz RJFFECXQLZHYLD-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@H](CNC(=O)c1cnn(C)n1)N[C@@H]1CCNC1=O ZINC001378294341 888049853 /nfs/dbraw/zinc/04/98/53/888049853.db2.gz NDYGMDMCYGCHEP-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](CNC(=O)Cn1nc(C)n(C)c1=O)NCC(N)=O ZINC001378327669 888050237 /nfs/dbraw/zinc/05/02/37/888050237.db2.gz JHLSEPJYHXMCCG-VIFPVBQESA-N 0 3 298.347 -2.140 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)NCc1n[nH]c(C)n1 ZINC001378305307 888050520 /nfs/dbraw/zinc/05/05/20/888050520.db2.gz UEMQLAVROUFMRJ-QMMMGPOBSA-N 0 3 293.335 -1.065 20 0 CAADHN CC[C@H](CNC(=O)Cn1nc(C)n(C)c1=O)NCC(N)=O ZINC001378327667 888052266 /nfs/dbraw/zinc/05/22/66/888052266.db2.gz JHLSEPJYHXMCCG-SECBINFHSA-N 0 3 298.347 -2.140 20 0 CAADHN CCCC[C@H](CNCC(N)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001378437329 888055410 /nfs/dbraw/zinc/05/54/10/888055410.db2.gz BLXSQKOUACAYDT-RKDXNWHRSA-N 0 3 285.348 -1.582 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)NC ZINC001378319929 888052896 /nfs/dbraw/zinc/05/28/96/888052896.db2.gz RAKXUDCABFZQFB-BDAKNGLRSA-N 0 3 270.333 -1.505 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1(CCO)CN(CCO)C1 ZINC001378352074 888053160 /nfs/dbraw/zinc/05/31/60/888053160.db2.gz JZVMONLQPLGBLK-UHFFFAOYSA-N 0 3 282.344 -1.194 20 0 CAADHN COC[C@@H](O)CN1CC([C@@H](C)NC(=O)c2cnnn2C)C1 ZINC001378502409 888053832 /nfs/dbraw/zinc/05/38/32/888053832.db2.gz XSKOYVHVZAZTAX-KOLCDFICSA-N 0 3 297.359 -1.128 20 0 CAADHN COC[C@@H](O)CN1CC([C@H](C)NC(=O)c2cn(C)nn2)C1 ZINC001378490962 888053971 /nfs/dbraw/zinc/05/39/71/888053971.db2.gz ADMSGIZLLLSIBC-ONGXEEELSA-N 0 3 297.359 -1.128 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001378514113 888054033 /nfs/dbraw/zinc/05/40/33/888054033.db2.gz UZTUZIQSWPHYAU-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN COC[C@@H](O)CN1CC([C@H](C)NC(=O)c2cnnn2C)C1 ZINC001378502572 888054121 /nfs/dbraw/zinc/05/41/21/888054121.db2.gz XSKOYVHVZAZTAX-ONGXEEELSA-N 0 3 297.359 -1.128 20 0 CAADHN CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)CNC(N)=O ZINC001378361674 888054551 /nfs/dbraw/zinc/05/45/51/888054551.db2.gz NJCOGIZUXKOYDS-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001378406942 888054732 /nfs/dbraw/zinc/05/47/32/888054732.db2.gz JFZXEADXCVJKFU-VYUIOLGVSA-N 0 3 282.344 -1.532 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001378389028 888054966 /nfs/dbraw/zinc/05/49/66/888054966.db2.gz SGOVIVWSUVPIMM-XPTSAGLGSA-N 0 3 296.371 -1.128 20 0 CAADHN COC[C@H](O)CN1CC([C@H](C)NC(=O)c2cnnn2C)C1 ZINC001378502406 888055230 /nfs/dbraw/zinc/05/52/30/888055230.db2.gz XSKOYVHVZAZTAX-GXSJLCMTSA-N 0 3 297.359 -1.128 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)c1ncn(C)n1 ZINC001378498367 888055987 /nfs/dbraw/zinc/05/59/87/888055987.db2.gz SEWHOGGXMNEAEG-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CCCC[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CNC(=O)N1 ZINC001378437327 888056216 /nfs/dbraw/zinc/05/62/16/888056216.db2.gz BLXSQKOUACAYDT-IUCAKERBSA-N 0 3 285.348 -1.582 20 0 CAADHN C[C@@H](NC(=O)Cn1ncn(C)c1=O)C1CN(C[C@H](C)O)C1 ZINC001378520920 888056461 /nfs/dbraw/zinc/05/64/61/888056461.db2.gz QVWFXLSFAFAKEW-VHSXEESVSA-N 0 3 297.359 -1.601 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001378514115 888056795 /nfs/dbraw/zinc/05/67/95/888056795.db2.gz UZTUZIQSWPHYAU-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001378520348 888056827 /nfs/dbraw/zinc/05/68/27/888056827.db2.gz XEWUCEPCTYEVFC-MRVPVSSYSA-N 0 3 271.321 -1.889 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)Cn1cnnn1)C(N)=O ZINC001378486611 888056883 /nfs/dbraw/zinc/05/68/83/888056883.db2.gz GBAJTWBXNWZNDJ-DTWKUNHWSA-N 0 3 281.320 -1.873 20 0 CAADHN C[C@@H](O)CN1CC([C@@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001378520917 888057218 /nfs/dbraw/zinc/05/72/18/888057218.db2.gz QVWFXLSFAFAKEW-NXEZZACHSA-N 0 3 297.359 -1.601 20 0 CAADHN COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)Cc2nnc[n-]2)C1 ZINC001378578795 888058532 /nfs/dbraw/zinc/05/85/32/888058532.db2.gz SECWTPDCBDNDBK-KOLCDFICSA-N 0 3 297.359 -1.209 20 0 CAADHN COC[C@@H](O)CN1CC([C@H](C)NC(=O)c2cnn(C)n2)C1 ZINC001378560672 888059389 /nfs/dbraw/zinc/05/93/89/888059389.db2.gz RBODHNWJAXGQNE-ONGXEEELSA-N 0 3 297.359 -1.128 20 0 CAADHN COC[C@@H](O)CN1CC([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001378592794 888061426 /nfs/dbraw/zinc/06/14/26/888061426.db2.gz YNLLGPUITOJMSR-USWWRNFRSA-N 0 3 299.371 -1.291 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@@H]1CCNC1=O ZINC001378609817 888061996 /nfs/dbraw/zinc/06/19/96/888061996.db2.gz CPBNFYYGKSXTRO-RKDXNWHRSA-N 0 3 280.332 -1.422 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@H]1CCNC1=O ZINC001378609809 888062155 /nfs/dbraw/zinc/06/21/55/888062155.db2.gz CPBNFYYGKSXTRO-BDAKNGLRSA-N 0 3 280.332 -1.422 20 0 CAADHN COC[C@H](O)CN1CC([C@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001378592802 888063906 /nfs/dbraw/zinc/06/39/06/888063906.db2.gz YNLLGPUITOJMSR-WCQGTBRESA-N 0 3 299.371 -1.291 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)N(C)C(=O)Cn1cnnn1 ZINC001378736636 888064971 /nfs/dbraw/zinc/06/49/71/888064971.db2.gz TXMFXEIJTRMMHM-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CCC(=O)N1CCO[C@H]([C@@H](C)NCC(=O)NC(N)=O)C1 ZINC001378741999 888065716 /nfs/dbraw/zinc/06/57/16/888065716.db2.gz DTGSNTREMSCKRE-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)N(C)C(=O)Cn1cnnn1 ZINC001378736638 888066697 /nfs/dbraw/zinc/06/66/97/888066697.db2.gz TXMFXEIJTRMMHM-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)Cn1cnnn1 ZINC001378736637 888067471 /nfs/dbraw/zinc/06/74/71/888067471.db2.gz TXMFXEIJTRMMHM-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CNC(=O)NC)C(C)C ZINC001378962056 888073619 /nfs/dbraw/zinc/07/36/19/888073619.db2.gz MZYUKEGNECBINV-VIFPVBQESA-N 0 3 287.364 -1.608 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)COC ZINC001378737934 888067871 /nfs/dbraw/zinc/06/78/71/888067871.db2.gz SUANRWXWVKTWET-BDAKNGLRSA-N 0 3 288.348 -1.087 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CN1CCCNC1=O ZINC001378802077 888068611 /nfs/dbraw/zinc/06/86/11/888068611.db2.gz UBBQIKFFAKCZFM-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001378801872 888068820 /nfs/dbraw/zinc/06/88/20/888068820.db2.gz IMAJUBKYEMUSHR-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)CC(C)(C)O)CCO1 ZINC001378768678 888068871 /nfs/dbraw/zinc/06/88/71/888068871.db2.gz PZKKKCOFKXNHAC-ZJUUUORDSA-N 0 3 287.360 -1.162 20 0 CAADHN C[C@@H](NCCF)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001378778454 888068930 /nfs/dbraw/zinc/06/89/30/888068930.db2.gz ZJQSEOWXTFYKIG-ZJUUUORDSA-N 0 3 286.311 -1.152 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001378755546 888069385 /nfs/dbraw/zinc/06/93/85/888069385.db2.gz GNXMVNKVPXRCCP-YUMQZZPRSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001378755546 888069400 /nfs/dbraw/zinc/06/94/00/888069400.db2.gz GNXMVNKVPXRCCP-YUMQZZPRSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001378772045 888069434 /nfs/dbraw/zinc/06/94/34/888069434.db2.gz YKAQFKLELQGKLD-MWLCHTKSSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1nnn(C)n1 ZINC001378801976 888069586 /nfs/dbraw/zinc/06/95/86/888069586.db2.gz IZGNSCRWKAENAS-YUMQZZPRSA-N 0 3 281.320 -1.851 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CO[C@H]1CCOC1 ZINC001378788498 888069938 /nfs/dbraw/zinc/06/99/38/888069938.db2.gz YOAYDRVCQKZRBD-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001378812779 888070011 /nfs/dbraw/zinc/07/00/11/888070011.db2.gz PGIVHGVMNCRJNF-MRVPVSSYSA-N 0 3 281.316 -1.434 20 0 CAADHN CC[C@@H](NC[C@@H](C)N(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001378801459 888070127 /nfs/dbraw/zinc/07/01/27/888070127.db2.gz HLHPBYIVMJYJCH-HTQZYQBOSA-N 0 3 283.336 -1.476 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001378803243 888070272 /nfs/dbraw/zinc/07/02/72/888070272.db2.gz LNEZFSXWMNLORE-RKDXNWHRSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CNC(=O)C1CC1)C(N)=O ZINC001378757200 888070417 /nfs/dbraw/zinc/07/04/17/888070417.db2.gz PPWVNEQPTHRBMV-DTWKUNHWSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1nnn(C)n1 ZINC001378801971 888070488 /nfs/dbraw/zinc/07/04/88/888070488.db2.gz IZGNSCRWKAENAS-SFYZADRCSA-N 0 3 281.320 -1.851 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cccnn2)CCO1 ZINC001378753530 888070532 /nfs/dbraw/zinc/07/05/32/888070532.db2.gz FEXVNPNZCGJPIP-KOLCDFICSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1ncn(C)n1 ZINC001378776833 888070677 /nfs/dbraw/zinc/07/06/77/888070677.db2.gz YJNONEYRLVHFPE-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)N(C)C(=O)c1nnn(C)n1 ZINC001378799178 888070704 /nfs/dbraw/zinc/07/07/04/888070704.db2.gz ARDPBBRUDDZGKJ-RKDXNWHRSA-N 0 3 297.363 -1.263 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001378803223 888070869 /nfs/dbraw/zinc/07/08/69/888070869.db2.gz LNEZFSXWMNLORE-BDAKNGLRSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)N(C)C(=O)c1nnn(C)n1 ZINC001378807978 888071063 /nfs/dbraw/zinc/07/10/63/888071063.db2.gz VASDVDOXJVEEJZ-BDAKNGLRSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)CC(C)(C)O ZINC001378763562 888071185 /nfs/dbraw/zinc/07/11/85/888071185.db2.gz IFYLVSBLFZWHIT-MRVPVSSYSA-N 0 3 288.348 -1.221 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@H](C)CNCC(N)=O)C1 ZINC001378772500 888071671 /nfs/dbraw/zinc/07/16/71/888071671.db2.gz UUIAYRLOIAVJQT-MRVPVSSYSA-N 0 3 270.333 -1.614 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001378801865 888071769 /nfs/dbraw/zinc/07/17/69/888071769.db2.gz IMAJUBKYEMUSHR-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN CC[C@H](NC[C@H](C)N(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001378801464 888071799 /nfs/dbraw/zinc/07/17/99/888071799.db2.gz HLHPBYIVMJYJCH-YUMQZZPRSA-N 0 3 283.336 -1.476 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cc1ccon1 ZINC001378756893 888071824 /nfs/dbraw/zinc/07/18/24/888071824.db2.gz QUJWXUUPTFRAGW-QMMMGPOBSA-N 0 3 297.315 -1.152 20 0 CAADHN C[C@H](NCCF)[C@@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001378778444 888072068 /nfs/dbraw/zinc/07/20/68/888072068.db2.gz ZJQSEOWXTFYKIG-UWVGGRQHSA-N 0 3 286.311 -1.152 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001378772322 888072132 /nfs/dbraw/zinc/07/21/32/888072132.db2.gz FZCNNPPOGYPSEI-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1ncn(C)n1 ZINC001378776830 888072148 /nfs/dbraw/zinc/07/21/48/888072148.db2.gz YJNONEYRLVHFPE-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)c1nnn(C)n1 ZINC001378799177 888072214 /nfs/dbraw/zinc/07/22/14/888072214.db2.gz ARDPBBRUDDZGKJ-IUCAKERBSA-N 0 3 297.363 -1.263 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)c1nnn(C)n1 ZINC001378807982 888072265 /nfs/dbraw/zinc/07/22/65/888072265.db2.gz VASDVDOXJVEEJZ-DTWKUNHWSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](NC[C@@H](C)N(C)C(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001378848270 888072843 /nfs/dbraw/zinc/07/28/43/888072843.db2.gz XAUWZFBUJYZRJM-RKDXNWHRSA-N 0 3 295.343 -1.296 20 0 CAADHN CC(C)C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1nnn(C)n1 ZINC001378874593 888073369 /nfs/dbraw/zinc/07/33/69/888073369.db2.gz PVJCSXYTIMXFAH-RKDXNWHRSA-N 0 3 297.363 -1.182 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001378886380 888073942 /nfs/dbraw/zinc/07/39/42/888073942.db2.gz WXOJTVLCYLISKE-RKDXNWHRSA-N 0 3 285.348 -1.726 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCCS1(=O)=O ZINC001378858330 888074131 /nfs/dbraw/zinc/07/41/31/888074131.db2.gz UVNHXFDRQSSJGM-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CNCC(N)=O)CC(C)C ZINC001378861285 888074155 /nfs/dbraw/zinc/07/41/55/888074155.db2.gz BEWQHGIZAWJGQF-JTQLQIEISA-N 0 3 272.349 -1.272 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001378832655 888074179 /nfs/dbraw/zinc/07/41/79/888074179.db2.gz SXAUWHCUGRKGQD-WCBMZHEXSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)C(C)C ZINC001378952685 888074248 /nfs/dbraw/zinc/07/42/48/888074248.db2.gz BXSQPWHLKFMGDR-QWRGUYRKSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C1CN(C(C)=O)C1)C(C)C ZINC001378969285 888075408 /nfs/dbraw/zinc/07/54/08/888075408.db2.gz VYKRDPQRSLMPGU-LBPRGKRZSA-N 0 3 298.387 -1.059 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CCNC(=O)C1)C(C)C ZINC001378952689 888075268 /nfs/dbraw/zinc/07/52/68/888075268.db2.gz BXSQPWHLKFMGDR-WDEREUQCSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)C(C)C ZINC001378952675 888075379 /nfs/dbraw/zinc/07/53/79/888075379.db2.gz BXSQPWHLKFMGDR-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001378852525 888075961 /nfs/dbraw/zinc/07/59/61/888075961.db2.gz MAVDRWGBOQOSFR-SSDOTTSWSA-N 0 3 281.316 -1.351 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ncccn1 ZINC001378842473 888076237 /nfs/dbraw/zinc/07/62/37/888076237.db2.gz PEIUTROAKISLPC-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001379060552 888076540 /nfs/dbraw/zinc/07/65/40/888076540.db2.gz UZXUWBWIQKUWBK-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CCn1cnnn1)C(C)C ZINC001379010578 888076959 /nfs/dbraw/zinc/07/69/59/888076959.db2.gz OXOVNAIRBQAOLT-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN C[C@H](NC[C@H](C1CC1)N(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001379032641 888077408 /nfs/dbraw/zinc/07/74/08/888077408.db2.gz QRFUGFNTDMRIBY-IONNQARKSA-N 0 3 295.347 -1.476 20 0 CAADHN C[C@H](NC[C@@H](C1CC1)N(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001379032634 888078011 /nfs/dbraw/zinc/07/80/11/888078011.db2.gz QRFUGFNTDMRIBY-CBAPKCEASA-N 0 3 295.347 -1.476 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H](C)NC(N)=O ZINC001379032383 888078348 /nfs/dbraw/zinc/07/83/48/888078348.db2.gz LOPRDOAKVKHZJW-UWVGGRQHSA-N 0 3 290.364 -1.559 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001378989658 888078705 /nfs/dbraw/zinc/07/87/05/888078705.db2.gz KMEKVMJQEAWUQK-VHSXEESVSA-N 0 3 299.375 -1.466 20 0 CAADHN CN(C(=O)CCn1ccnn1)[C@H](CNCC(N)=O)C1CC1 ZINC001379018045 888079560 /nfs/dbraw/zinc/07/95/60/888079560.db2.gz XQAZPSMZMBJQIM-LLVKDONJSA-N 0 3 294.359 -1.020 20 0 CAADHN CC(C)[C@@H](CNC(=O)CCn1cnnn1)NCC(N)=O ZINC001379008914 888079623 /nfs/dbraw/zinc/07/96/23/888079623.db2.gz LXVACTZYGIJKPD-SECBINFHSA-N 0 3 283.336 -1.721 20 0 CAADHN CN(C(=O)Cn1cncn1)[C@H](CNCC(N)=O)C1CC1 ZINC001379051886 888080088 /nfs/dbraw/zinc/08/00/88/888080088.db2.gz CJSNBLKZMLOXCN-SNVBAGLBSA-N 0 3 280.332 -1.410 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001378981285 888080270 /nfs/dbraw/zinc/08/02/70/888080270.db2.gz MNHQTLAVLVULNZ-JTQLQIEISA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)CCOC ZINC001379059998 888081263 /nfs/dbraw/zinc/08/12/63/888081263.db2.gz OURREISOLCNTLR-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN CC(C)[C@H](CNC(=O)CCn1cnnn1)NCC(N)=O ZINC001379008917 888081345 /nfs/dbraw/zinc/08/13/45/888081345.db2.gz LXVACTZYGIJKPD-VIFPVBQESA-N 0 3 283.336 -1.721 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)CN1CCNC(=O)C1 ZINC001379083780 888082228 /nfs/dbraw/zinc/08/22/28/888082228.db2.gz LIWXDKHYKCLNFL-LLVKDONJSA-N 0 3 286.376 -1.811 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cc(=O)n(C)cn1)NCC(N)=O ZINC001379139677 888082667 /nfs/dbraw/zinc/08/26/67/888082667.db2.gz WSQWTPJIJGMTPD-QMMMGPOBSA-N 0 3 281.316 -1.684 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)[C@H](C)OC ZINC001379080511 888084820 /nfs/dbraw/zinc/08/48/20/888084820.db2.gz LGCXSQWHSJHVSF-BDAKNGLRSA-N 0 3 288.348 -1.087 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O)[nH]1 ZINC001379125092 888083894 /nfs/dbraw/zinc/08/38/94/888083894.db2.gz YPYWRCQFUOGGPQ-JGVFFNPUSA-N 0 3 282.348 -1.034 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1cnnn1C ZINC001379104038 888084343 /nfs/dbraw/zinc/08/43/43/888084343.db2.gz DRHZWQFPNOLMFV-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1ncn(C)n1 ZINC001379122076 888085766 /nfs/dbraw/zinc/08/57/66/888085766.db2.gz ZJEZSTYZNREXRA-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](C)NCC(N)=O)c(=O)[nH]c1C ZINC001379137771 888085965 /nfs/dbraw/zinc/08/59/65/888085965.db2.gz KBELWWTUULWPFZ-SSDOTTSWSA-N 0 3 295.343 -1.078 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncnn1)NCC(=O)N(C)C ZINC001379133073 888086087 /nfs/dbraw/zinc/08/60/87/888086087.db2.gz RUSIFWJAYNMPQC-VIFPVBQESA-N 0 3 283.336 -1.802 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)c1cn[nH]n1 ZINC001379072371 888086304 /nfs/dbraw/zinc/08/63/04/888086304.db2.gz CWNZCEKVACLHPJ-SECBINFHSA-N 0 3 271.321 -1.184 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)[C@@H]2COCCO2)n[nH]1 ZINC001379162730 888086985 /nfs/dbraw/zinc/08/69/85/888086985.db2.gz FIXGXIBZNWNVPK-ZJUUUORDSA-N 0 3 299.331 -1.905 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cncs1)C(N)=O ZINC001379162461 888087254 /nfs/dbraw/zinc/08/72/54/888087254.db2.gz BXDUXSOGXZQOHQ-RNFRBKRXSA-N 0 3 272.330 -1.303 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@@H]1CCCN(C)C1=O ZINC001379164265 888087390 /nfs/dbraw/zinc/08/73/90/888087390.db2.gz NODPBKIBPNRURP-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCc1cn(C)nc1C ZINC001379154589 888087789 /nfs/dbraw/zinc/08/77/89/888087789.db2.gz MYULYBSSALJTIA-LBPRGKRZSA-N 0 3 297.359 -1.569 20 0 CAADHN CNC(=O)CN1CC[C@H]2CN(C(=O)CNC(C)=O)CC[C@@H]21 ZINC001379145441 888088040 /nfs/dbraw/zinc/08/80/40/888088040.db2.gz DGIIHHDHRBYQTG-RYUDHWBXSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1CCC1)C(=O)NC(N)=O ZINC001379154705 888088524 /nfs/dbraw/zinc/08/85/24/888088524.db2.gz NMGLXZRHFBTKSC-IONNQARKSA-N 0 3 286.332 -1.563 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)Cn2cnnn2)C1=O ZINC001379160360 888088554 /nfs/dbraw/zinc/08/85/54/888088554.db2.gz ITKLEKKZESKMIM-BDAKNGLRSA-N 0 3 297.319 -3.030 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccccn1 ZINC001379156846 888088668 /nfs/dbraw/zinc/08/86/68/888088668.db2.gz UMWITNKPCFGSEM-ONGXEEELSA-N 0 3 278.312 -1.350 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2ccnn2C)C1=O ZINC001379162338 888088928 /nfs/dbraw/zinc/08/89/28/888088928.db2.gz CJCFBJPAHPDECL-UWVGGRQHSA-N 0 3 295.343 -1.669 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001379161257 888089117 /nfs/dbraw/zinc/08/91/17/888089117.db2.gz ANRBWUYCBVXCMK-UWVGGRQHSA-N 0 3 281.316 -1.679 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cncs1)C(N)=O ZINC001379162448 888089151 /nfs/dbraw/zinc/08/91/51/888089151.db2.gz BXDUXSOGXZQOHQ-BQBZGAKWSA-N 0 3 272.330 -1.303 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001379145795 888089488 /nfs/dbraw/zinc/08/94/88/888089488.db2.gz JFNLXBBTZDCNOA-UWVGGRQHSA-N 0 3 295.405 -1.305 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCc1cn(C)nc1C ZINC001379154586 888089631 /nfs/dbraw/zinc/08/96/31/888089631.db2.gz MYULYBSSALJTIA-GFCCVEGCSA-N 0 3 297.359 -1.569 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001379157896 888089937 /nfs/dbraw/zinc/08/99/37/888089937.db2.gz XIQBXUVMWNQZSV-JTQLQIEISA-N 0 3 286.332 -2.532 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccncc1 ZINC001379159660 888090085 /nfs/dbraw/zinc/09/00/85/888090085.db2.gz ZKOFAWYGBWSXPD-KOLCDFICSA-N 0 3 280.328 -1.104 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1CCC1)C(=O)NC(N)=O ZINC001379154694 888090399 /nfs/dbraw/zinc/09/03/99/888090399.db2.gz NMGLXZRHFBTKSC-APPZFPTMSA-N 0 3 286.332 -1.563 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ccnn2C)C1=O ZINC001379162335 888090531 /nfs/dbraw/zinc/09/05/31/888090531.db2.gz CJCFBJPAHPDECL-NXEZZACHSA-N 0 3 295.343 -1.669 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2ccnn2C)C1=O ZINC001379162344 888090887 /nfs/dbraw/zinc/09/08/87/888090887.db2.gz CJCFBJPAHPDECL-ZJUUUORDSA-N 0 3 295.343 -1.669 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1CCOCC1)C(N)=O ZINC001379151270 888091024 /nfs/dbraw/zinc/09/10/24/888091024.db2.gz BCLYYAORMDWWMW-WPRPVWTQSA-N 0 3 273.333 -1.647 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cscn1 ZINC001379166819 888091383 /nfs/dbraw/zinc/09/13/83/888091383.db2.gz KSKKVBYBMZTJLV-JGVFFNPUSA-N 0 3 284.341 -1.288 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001379168911 888091550 /nfs/dbraw/zinc/09/15/50/888091550.db2.gz SFZATTSTHOIJFV-ONGXEEELSA-N 0 3 280.328 -1.056 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CC[C@@H]1CCCO1 ZINC001379164884 888091788 /nfs/dbraw/zinc/09/17/88/888091788.db2.gz ICXWCRZWTGUQIE-QWRGUYRKSA-N 0 3 287.360 -1.242 20 0 CAADHN Cc1ncsc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001379164717 888092215 /nfs/dbraw/zinc/09/22/15/888092215.db2.gz FACVFZJUBAVFDE-SSDOTTSWSA-N 0 3 272.330 -1.383 20 0 CAADHN Cc1cnc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)cn1 ZINC001379173121 888092747 /nfs/dbraw/zinc/09/27/47/888092747.db2.gz LXEZFRJXKFGAJX-ZJUUUORDSA-N 0 3 293.327 -1.646 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnccn1)C(N)=O ZINC001379165807 888093087 /nfs/dbraw/zinc/09/30/87/888093087.db2.gz DNPPSGKJUJAXHI-DTWKUNHWSA-N 0 3 281.316 -1.579 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)C1=COCCC1 ZINC001379167010 888093789 /nfs/dbraw/zinc/09/37/89/888093789.db2.gz LZLMNWLSTSJUJY-NSHDSACASA-N 0 3 285.344 -1.164 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccn[nH]1)NC1CC1 ZINC001379173005 888093935 /nfs/dbraw/zinc/09/39/35/888093935.db2.gz RTAJJUWZQFFUKH-SECBINFHSA-N 0 3 281.316 -1.631 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001379173720 888094077 /nfs/dbraw/zinc/09/40/77/888094077.db2.gz AAMOCLVKEINPJQ-RKDXNWHRSA-N 0 3 274.321 -3.131 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001379168901 888095175 /nfs/dbraw/zinc/09/51/75/888095175.db2.gz SFZATTSTHOIJFV-KOLCDFICSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001379168895 888094843 /nfs/dbraw/zinc/09/48/43/888094843.db2.gz SFZATTSTHOIJFV-GXSJLCMTSA-N 0 3 280.328 -1.056 20 0 CAADHN CS(=O)(=O)CC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001379164383 888094872 /nfs/dbraw/zinc/09/48/72/888094872.db2.gz DRMQLNPUNMIIQS-JGVFFNPUSA-N 0 3 293.345 -3.014 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnccn1)C(N)=O ZINC001379165797 888095127 /nfs/dbraw/zinc/09/51/27/888095127.db2.gz DNPPSGKJUJAXHI-BDAKNGLRSA-N 0 3 281.316 -1.579 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@H]1CCCN(C)C1=O ZINC001379164327 888095721 /nfs/dbraw/zinc/09/57/21/888095721.db2.gz NODPBKIBPNRURP-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cncnc1)N1CCC1 ZINC001379191651 888096211 /nfs/dbraw/zinc/09/62/11/888096211.db2.gz CCDFVQAYPPLJPJ-NSHDSACASA-N 0 3 293.327 -1.611 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001379191734 888096357 /nfs/dbraw/zinc/09/63/57/888096357.db2.gz UJCYYRFKSCMYGI-JTQLQIEISA-N 0 3 283.332 -1.845 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001379184377 888096509 /nfs/dbraw/zinc/09/65/09/888096509.db2.gz RGHKJRYRAAITHP-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001379183968 888096935 /nfs/dbraw/zinc/09/69/35/888096935.db2.gz IPFFHOYERABBKZ-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001379185056 888097063 /nfs/dbraw/zinc/09/70/63/888097063.db2.gz JQQFOTZGZNRYRK-HTQZYQBOSA-N 0 3 274.321 -2.547 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)[nH]n1 ZINC001379181252 888097258 /nfs/dbraw/zinc/09/72/58/888097258.db2.gz ZSPQQFXFDYVQSL-DTWKUNHWSA-N 0 3 281.316 -1.713 20 0 CAADHN Cn1ncc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCN2C)n1 ZINC001379183206 888097453 /nfs/dbraw/zinc/09/74/53/888097453.db2.gz GRHKXXGKWUSIOU-NEPJUHHUSA-N 0 3 296.375 -1.524 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001379181231 888098220 /nfs/dbraw/zinc/09/82/20/888098220.db2.gz ZQHZSJXKJIWWBY-BQBZGAKWSA-N 0 3 281.334 -3.029 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001379191927 888098250 /nfs/dbraw/zinc/09/82/50/888098250.db2.gz USXWCJZUWKWULZ-RKDXNWHRSA-N 0 3 286.332 -2.675 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)cn1 ZINC001379181025 888098663 /nfs/dbraw/zinc/09/86/63/888098663.db2.gz CORZUMNQELYZMX-LLVKDONJSA-N 0 3 297.359 -1.329 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001379177411 888098446 /nfs/dbraw/zinc/09/84/46/888098446.db2.gz VGUUZPWMYGCKPX-VXNVDRBHSA-N 0 3 286.332 -2.547 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cncnc1)N1CCC1 ZINC001379191648 888098503 /nfs/dbraw/zinc/09/85/03/888098503.db2.gz CCDFVQAYPPLJPJ-LLVKDONJSA-N 0 3 293.327 -1.611 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)COC1CCCC1 ZINC001379174428 888098698 /nfs/dbraw/zinc/09/86/98/888098698.db2.gz QKYIVGBAUOEHHA-JTQLQIEISA-N 0 3 287.360 -1.242 20 0 CAADHN COCCC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001379175642 888099120 /nfs/dbraw/zinc/09/91/20/888099120.db2.gz ZHJLAKBJAMQECT-JTQLQIEISA-N 0 3 273.333 -1.678 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001379191917 888099252 /nfs/dbraw/zinc/09/92/52/888099252.db2.gz USXWCJZUWKWULZ-DTWKUNHWSA-N 0 3 286.332 -2.675 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001379184382 888099506 /nfs/dbraw/zinc/09/95/06/888099506.db2.gz RGHKJRYRAAITHP-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001379184389 888099636 /nfs/dbraw/zinc/09/96/36/888099636.db2.gz RGHKJRYRAAITHP-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001379192296 888099802 /nfs/dbraw/zinc/09/98/02/888099802.db2.gz VIWYIACIQPXOSA-JTQLQIEISA-N 0 3 296.327 -1.444 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001379176440 888099873 /nfs/dbraw/zinc/09/98/73/888099873.db2.gz VVYVVUYLPJSXHE-APPZFPTMSA-N 0 3 274.321 -2.595 20 0 CAADHN CCOCC(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001379176816 888100044 /nfs/dbraw/zinc/10/00/44/888100044.db2.gz PZVHJCQFLCDRBB-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN CC1(C)C[C@@H]1C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001379195894 888101087 /nfs/dbraw/zinc/10/10/87/888101087.db2.gz LKCXFNKXDQWIEP-HTQZYQBOSA-N 0 3 286.332 -1.706 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cncnc2)C1=O ZINC001379200674 888101435 /nfs/dbraw/zinc/10/14/35/888101435.db2.gz XRDUPFPODBRQAN-GHMZBOCLSA-N 0 3 293.327 -1.612 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1cc(C)on1)C(N)=O ZINC001379193489 888101513 /nfs/dbraw/zinc/10/15/13/888101513.db2.gz ZTMYUHWIHDGVPQ-MNOVXSKESA-N 0 3 298.343 -1.144 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001379201247 888101571 /nfs/dbraw/zinc/10/15/71/888101571.db2.gz MQBYOQUAJGQQKP-YUMQZZPRSA-N 0 3 289.336 -2.802 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1cc(C)on1)C(N)=O ZINC001379193484 888101853 /nfs/dbraw/zinc/10/18/53/888101853.db2.gz ZTMYUHWIHDGVPQ-GHMZBOCLSA-N 0 3 298.343 -1.144 20 0 CAADHN CC1(C)C[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001379195895 888102262 /nfs/dbraw/zinc/10/22/62/888102262.db2.gz LKCXFNKXDQWIEP-JGVFFNPUSA-N 0 3 286.332 -1.706 20 0 CAADHN CCc1nc(C(=O)NC[C@@H](O)CNCC(N)=O)co1 ZINC001379192908 888102180 /nfs/dbraw/zinc/10/21/80/888102180.db2.gz FROOISOWLKJLBQ-ZETCQYMHSA-N 0 3 270.289 -1.597 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001379196934 888102222 /nfs/dbraw/zinc/10/22/22/888102222.db2.gz IIRXZZHFSSEMIC-HTQZYQBOSA-N 0 3 282.304 -2.616 20 0 CAADHN Cc1nnc(CC(=O)NC[C@H](O)CNCC(=O)N(C)C)o1 ZINC001379198682 888102272 /nfs/dbraw/zinc/10/22/72/888102272.db2.gz OJDKXIJMHPIDQW-SECBINFHSA-N 0 3 299.331 -1.925 20 0 CAADHN CCn1nccc1C(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC ZINC001379201351 888102299 /nfs/dbraw/zinc/10/22/99/888102299.db2.gz NPNFFCICJOAKBX-VHSXEESVSA-N 0 3 297.359 -1.282 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ncc[nH]1)C(=O)N(C)C ZINC001379195085 888102323 /nfs/dbraw/zinc/10/23/23/888102323.db2.gz FBGPMXASMGWHCK-IUCAKERBSA-N 0 3 283.332 -1.433 20 0 CAADHN Cn1nncc1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001379195773 888102446 /nfs/dbraw/zinc/10/24/46/888102446.db2.gz DAOAHWNEVGNGTM-VIFPVBQESA-N 0 3 296.331 -2.272 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ncc[nH]1)N1CCCC1 ZINC001379200085 888102455 /nfs/dbraw/zinc/10/24/55/888102455.db2.gz WENVDOBTBAESCZ-SNVBAGLBSA-N 0 3 295.343 -1.288 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001379196802 888102533 /nfs/dbraw/zinc/10/25/33/888102533.db2.gz HNJJWBYRVJCFBG-UWVGGRQHSA-N 0 3 297.315 -1.905 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1nccn1CC)C(N)=O ZINC001379199587 888102551 /nfs/dbraw/zinc/10/25/51/888102551.db2.gz IMEUQETXYLEXPJ-UWVGGRQHSA-N 0 3 297.359 -1.153 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)N[C@@H](C)C(N)=O ZINC001379194881 888102571 /nfs/dbraw/zinc/10/25/71/888102571.db2.gz GRDJGSMJBSJZHT-UWVGGRQHSA-N 0 3 299.375 -2.272 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001379196290 888102869 /nfs/dbraw/zinc/10/28/69/888102869.db2.gz KYSJLOYDRRGFBP-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)cnn1 ZINC001379202391 888103034 /nfs/dbraw/zinc/10/30/34/888103034.db2.gz RMLWHWFSMZIGOG-WDEREUQCSA-N 0 3 293.327 -1.646 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001379196808 888103178 /nfs/dbraw/zinc/10/31/78/888103178.db2.gz HNJJWBYRVJCFBG-VHSXEESVSA-N 0 3 297.315 -1.905 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001379197663 888103280 /nfs/dbraw/zinc/10/32/80/888103280.db2.gz OAWKUPQYIHCBTG-QWRGUYRKSA-N 0 3 299.371 -1.363 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)c2cn(C)nn2)cn1 ZINC001379198536 888103295 /nfs/dbraw/zinc/10/32/95/888103295.db2.gz NBOUPFALIGRPNQ-JTQLQIEISA-N 0 3 293.331 -1.571 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1nccn1CC)C(N)=O ZINC001379199586 888103453 /nfs/dbraw/zinc/10/34/53/888103453.db2.gz IMEUQETXYLEXPJ-NXEZZACHSA-N 0 3 297.359 -1.153 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1ncn(C)c1=O)NCC(N)=O ZINC001379194610 888103501 /nfs/dbraw/zinc/10/35/01/888103501.db2.gz RAEDZTZZRRZUJR-VIFPVBQESA-N 0 3 298.347 -2.106 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](O)CNCc1ccccn1 ZINC001379206124 888104561 /nfs/dbraw/zinc/10/45/61/888104561.db2.gz GGRPBQBJEGXIEE-NSHDSACASA-N 0 3 291.315 -1.665 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1coc(C)n1 ZINC001379203166 888104610 /nfs/dbraw/zinc/10/46/10/888104610.db2.gz UNPVEPSSAOPLHP-MRVPVSSYSA-N 0 3 270.289 -1.591 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001379215582 888104622 /nfs/dbraw/zinc/10/46/22/888104622.db2.gz GPEHNOVNFFBJRV-IUCAKERBSA-N 0 3 295.343 -1.046 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCCC(=O)N1 ZINC001379217910 888104931 /nfs/dbraw/zinc/10/49/31/888104931.db2.gz IICRMMKYUHCIIO-BDAKNGLRSA-N 0 3 286.332 -2.403 20 0 CAADHN Cc1nnccc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001379210910 888104999 /nfs/dbraw/zinc/10/49/99/888104999.db2.gz AOSQRZUXBRNPAC-RKDXNWHRSA-N 0 3 281.316 -1.661 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001379206892 888105432 /nfs/dbraw/zinc/10/54/32/888105432.db2.gz KXBLEUVXOHQCEF-VIFPVBQESA-N 0 3 297.359 -1.259 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccsn1 ZINC001379212980 888105500 /nfs/dbraw/zinc/10/55/00/888105500.db2.gz DHYCNTWZFAAYKO-JGVFFNPUSA-N 0 3 286.357 -1.042 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001379215569 888105591 /nfs/dbraw/zinc/10/55/91/888105591.db2.gz GPEHNOVNFFBJRV-BDAKNGLRSA-N 0 3 295.343 -1.046 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCC(=O)NC ZINC001379203241 888105633 /nfs/dbraw/zinc/10/56/33/888105633.db2.gz BMCXBHGTCLQSFF-RKDXNWHRSA-N 0 3 288.348 -2.286 20 0 CAADHN CCn1ccc(CC(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001379216937 888105685 /nfs/dbraw/zinc/10/56/85/888105685.db2.gz YTKNDEQFXQFLAU-JTQLQIEISA-N 0 3 283.332 -2.003 20 0 CAADHN Cn1ncc(Cl)c1C(=O)NC[C@H](O)CNCC(N)=O ZINC001379204008 888105770 /nfs/dbraw/zinc/10/57/70/888105770.db2.gz ATZYLCQKBOQXAS-ZCFIWIBFSA-N 0 3 289.723 -1.761 20 0 CAADHN Cc1nnccc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001379210877 888105865 /nfs/dbraw/zinc/10/58/65/888105865.db2.gz AOSQRZUXBRNPAC-DTWKUNHWSA-N 0 3 281.316 -1.661 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001379215588 888105884 /nfs/dbraw/zinc/10/58/84/888105884.db2.gz GPEHNOVNFFBJRV-RKDXNWHRSA-N 0 3 295.343 -1.046 20 0 CAADHN CCc1c[nH]c(CC(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001379208693 888105899 /nfs/dbraw/zinc/10/58/99/888105899.db2.gz XQZSFORHAWJWQK-SECBINFHSA-N 0 3 283.332 -1.933 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1c(C)ncn1C ZINC001379203918 888105910 /nfs/dbraw/zinc/10/59/10/888105910.db2.gz HQLCLFSJPYHRBN-VIFPVBQESA-N 0 3 283.332 -1.845 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1c[nH]nc1C ZINC001379217958 888105944 /nfs/dbraw/zinc/10/59/44/888105944.db2.gz JPWXNISQJWQHEH-DTWKUNHWSA-N 0 3 283.332 -1.467 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1c(C)ncn1C ZINC001379203911 888106016 /nfs/dbraw/zinc/10/60/16/888106016.db2.gz HQLCLFSJPYHRBN-SECBINFHSA-N 0 3 283.332 -1.845 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001379206890 888106139 /nfs/dbraw/zinc/10/61/39/888106139.db2.gz KXBLEUVXOHQCEF-SECBINFHSA-N 0 3 297.359 -1.259 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1c[nH]nc1C ZINC001379218111 888106176 /nfs/dbraw/zinc/10/61/76/888106176.db2.gz JPWXNISQJWQHEH-IUCAKERBSA-N 0 3 283.332 -1.467 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1csnn1 ZINC001379224446 888107177 /nfs/dbraw/zinc/10/71/77/888107177.db2.gz BZOUZYOYDLERGM-RQJHMYQMSA-N 0 3 287.345 -1.647 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001379227938 888107269 /nfs/dbraw/zinc/10/72/69/888107269.db2.gz MRGKOEIURYFLLS-FXQIFTODSA-N 0 3 272.305 -2.096 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001379229427 888107295 /nfs/dbraw/zinc/10/72/95/888107295.db2.gz XTKVRVJGTRRLBC-PSASIEDQSA-N 0 3 296.327 -1.356 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc2cccn2cn1 ZINC001379235849 888107486 /nfs/dbraw/zinc/10/74/86/888107486.db2.gz ZQGKNSGTASKNCR-SNVBAGLBSA-N 0 3 291.311 -1.500 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1ccc(F)cn1)C(N)=O ZINC001379221165 888107611 /nfs/dbraw/zinc/10/76/11/888107611.db2.gz JQJUYHSASNACFH-LDYMZIIASA-N 0 3 298.318 -1.296 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@H](O)C[NH2+]Cc1cncn1C ZINC001379225908 888107725 /nfs/dbraw/zinc/10/77/25/888107725.db2.gz UYQPVALHOPAVKC-SNVBAGLBSA-N 0 3 293.331 -1.273 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001379232126 888107754 /nfs/dbraw/zinc/10/77/54/888107754.db2.gz NVXCFCQYZSLZTK-HTQZYQBOSA-N 0 3 295.299 -2.661 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)C1CC(OC)C1 ZINC001379235563 888107947 /nfs/dbraw/zinc/10/79/47/888107947.db2.gz ZERMWXAYKJWDNG-HSOILSAZSA-N 0 3 287.360 -1.386 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1csnn1)C(N)=O ZINC001379222813 888108271 /nfs/dbraw/zinc/10/82/71/888108271.db2.gz BMWBVELNCWHSRN-RQJHMYQMSA-N 0 3 287.345 -1.518 20 0 CAADHN CCOc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)on1 ZINC001379236065 888108421 /nfs/dbraw/zinc/10/84/21/888108421.db2.gz PKFRLYUIAIEFMH-ZETCQYMHSA-N 0 3 286.288 -1.761 20 0 CAADHN CCOc1cc(C(=O)NC[C@H](O)CNCC(N)=O)on1 ZINC001379236056 888108612 /nfs/dbraw/zinc/10/86/12/888108612.db2.gz PKFRLYUIAIEFMH-SSDOTTSWSA-N 0 3 286.288 -1.761 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](O)CNCC(N)=O)CCNC(=O)C1 ZINC001379229699 888108656 /nfs/dbraw/zinc/10/86/56/888108656.db2.gz QRARKZXXARJDCZ-QPUJVOFHSA-N 0 3 286.332 -2.545 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001379229434 888108753 /nfs/dbraw/zinc/10/87/53/888108753.db2.gz XTKVRVJGTRRLBC-WCBMZHEXSA-N 0 3 296.327 -1.356 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1occ2c1CCOC2 ZINC001379226407 888109250 /nfs/dbraw/zinc/10/92/50/888109250.db2.gz GOPWXZXGLOKVAM-SECBINFHSA-N 0 3 297.311 -1.482 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1ccccn1 ZINC001379234399 888109361 /nfs/dbraw/zinc/10/93/61/888109361.db2.gz XDPORBQCJSVKMS-NSHDSACASA-N 0 3 280.328 -1.434 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc2cccn2cn1 ZINC001379235825 888109370 /nfs/dbraw/zinc/10/93/70/888109370.db2.gz ZQGKNSGTASKNCR-JTQLQIEISA-N 0 3 291.311 -1.500 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)n1C ZINC001379235716 888109378 /nfs/dbraw/zinc/10/93/78/888109378.db2.gz VJIITYFYHGHNGP-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)Cc2cnc[nH]2)nn1 ZINC001379250109 888110448 /nfs/dbraw/zinc/11/04/48/888110448.db2.gz UWHXLKDKTAIOGO-NSHDSACASA-N 0 3 293.331 -1.652 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccnnc1 ZINC001379245603 888110472 /nfs/dbraw/zinc/11/04/72/888110472.db2.gz HSSSENTZQCTORS-JTQLQIEISA-N 0 3 281.316 -1.755 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1[nH]c(C)nc1C)C(N)=O ZINC001379249071 888110502 /nfs/dbraw/zinc/11/05/02/888110502.db2.gz QJDKLCJVXPNKOK-NXEZZACHSA-N 0 3 297.359 -1.029 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)n1 ZINC001379251938 888110534 /nfs/dbraw/zinc/11/05/34/888110534.db2.gz LERMQYLRXWCYRS-BDAKNGLRSA-N 0 3 296.331 -2.274 20 0 CAADHN CC(C)[C@H](F)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001379244190 888110556 /nfs/dbraw/zinc/11/05/56/888110556.db2.gz MHLVLBCPKVMHCF-CBAPKCEASA-N 0 3 292.311 -1.758 20 0 CAADHN COc1ncccc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001379242337 888110733 /nfs/dbraw/zinc/11/07/33/888110733.db2.gz YEGWSIUGBAMRTK-IUCAKERBSA-N 0 3 296.327 -1.356 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)n1 ZINC001379251942 888110856 /nfs/dbraw/zinc/11/08/56/888110856.db2.gz LERMQYLRXWCYRS-DTWKUNHWSA-N 0 3 296.331 -2.274 20 0 CAADHN Cn1ncc(CNC[C@@H](O)CNC(=O)Cc2cnc[nH]2)n1 ZINC001379246172 888110940 /nfs/dbraw/zinc/11/09/40/888110940.db2.gz IHYUOYKEOKSRLJ-LLVKDONJSA-N 0 3 293.331 -1.652 20 0 CAADHN O=C(NC[C@@H](O)CNCc1ccccn1)[C@H]1CNC(=O)N1 ZINC001379238197 888111035 /nfs/dbraw/zinc/11/10/35/888111035.db2.gz KHUTXOZMHMIGHK-WDEREUQCSA-N 0 3 293.327 -1.670 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)[nH]1 ZINC001379250250 888111105 /nfs/dbraw/zinc/11/11/05/888111105.db2.gz SJEYDCQNSJRZAN-ZJUUUORDSA-N 0 3 295.343 -1.405 20 0 CAADHN COc1ncccc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001379242340 888111228 /nfs/dbraw/zinc/11/12/28/888111228.db2.gz YEGWSIUGBAMRTK-RKDXNWHRSA-N 0 3 296.327 -1.356 20 0 CAADHN Cn1ncc(CNC[C@H](O)CNC(=O)Cc2cnc[nH]2)n1 ZINC001379246177 888111365 /nfs/dbraw/zinc/11/13/65/888111365.db2.gz IHYUOYKEOKSRLJ-NSHDSACASA-N 0 3 293.331 -1.652 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnn(C)n1)C(=O)N(C)C ZINC001379250892 888111379 /nfs/dbraw/zinc/11/13/79/888111379.db2.gz KBEDWANRAKOCGX-DTWKUNHWSA-N 0 3 298.347 -2.028 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccn(C)c1C ZINC001379237452 888111631 /nfs/dbraw/zinc/11/16/31/888111631.db2.gz BFUNYFCSOGVYCK-JTQLQIEISA-N 0 3 282.344 -1.240 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1ccnnc1 ZINC001379249035 888111806 /nfs/dbraw/zinc/11/18/06/888111806.db2.gz QIWQNVPHDQYJKM-QWRGUYRKSA-N 0 3 293.327 -1.565 20 0 CAADHN COc1ncccc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001379242329 888111880 /nfs/dbraw/zinc/11/18/80/888111880.db2.gz YEGWSIUGBAMRTK-BDAKNGLRSA-N 0 3 296.327 -1.356 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CNCC(=O)NC)c(C)n1 ZINC001379249642 888111897 /nfs/dbraw/zinc/11/18/97/888111897.db2.gz TZPIBYKOCKXTHN-JTQLQIEISA-N 0 3 297.359 -1.362 20 0 CAADHN O=C(NC[C@@H](O)CNCc1ccccn1)[C@@H]1CNC(=O)N1 ZINC001379238196 888112145 /nfs/dbraw/zinc/11/21/45/888112145.db2.gz KHUTXOZMHMIGHK-QWRGUYRKSA-N 0 3 293.327 -1.670 20 0 CAADHN COc1ncccc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001379242333 888112242 /nfs/dbraw/zinc/11/22/42/888112242.db2.gz YEGWSIUGBAMRTK-DTWKUNHWSA-N 0 3 296.327 -1.356 20 0 CAADHN CC(C)[C@@H](F)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001379244207 888112595 /nfs/dbraw/zinc/11/25/95/888112595.db2.gz MHLVLBCPKVMHCF-VXNVDRBHSA-N 0 3 292.311 -1.758 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c(C)n1 ZINC001379258730 888113854 /nfs/dbraw/zinc/11/38/54/888113854.db2.gz JUFNOPAOFKFCBX-SCZZXKLOSA-N 0 3 295.343 -1.352 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001379254929 888114025 /nfs/dbraw/zinc/11/40/25/888114025.db2.gz BDAPMKJNDBGGHY-ZETCQYMHSA-N 0 3 271.277 -2.114 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCC1CCOCC1 ZINC001379260558 888114049 /nfs/dbraw/zinc/11/40/49/888114049.db2.gz UUOXIEPUGZDVHH-NSHDSACASA-N 0 3 287.360 -1.255 20 0 CAADHN CCc1nc(C(=O)NC[C@H](O)CNCC(N)=O)c(C)o1 ZINC001379255964 888114300 /nfs/dbraw/zinc/11/43/00/888114300.db2.gz SJFATESBYRZNLN-MRVPVSSYSA-N 0 3 284.316 -1.289 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c(C)n1 ZINC001379258738 888114504 /nfs/dbraw/zinc/11/45/04/888114504.db2.gz JUFNOPAOFKFCBX-WPRPVWTQSA-N 0 3 295.343 -1.352 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1cncn1C)C(N)=O ZINC001379262088 888114544 /nfs/dbraw/zinc/11/45/44/888114544.db2.gz WBOOQLOYKWHGCB-WPRPVWTQSA-N 0 3 283.332 -2.097 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cccn(C)c1=O ZINC001379261048 888114715 /nfs/dbraw/zinc/11/47/15/888114715.db2.gz TZKXKRLIKYAYLO-VIFPVBQESA-N 0 3 296.327 -2.188 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c(C)n1 ZINC001379258724 888114779 /nfs/dbraw/zinc/11/47/79/888114779.db2.gz JUFNOPAOFKFCBX-PSASIEDQSA-N 0 3 295.343 -1.352 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cccn(C)c1=O ZINC001379261047 888114819 /nfs/dbraw/zinc/11/48/19/888114819.db2.gz TZKXKRLIKYAYLO-SECBINFHSA-N 0 3 296.327 -2.188 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ncccn1)C(N)=O ZINC001379259079 888114891 /nfs/dbraw/zinc/11/48/91/888114891.db2.gz KKBGYFAUHIFSRO-IUCAKERBSA-N 0 3 281.316 -1.579 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1nccs1 ZINC001379255069 888115107 /nfs/dbraw/zinc/11/51/07/888115107.db2.gz GPROHYNQKZVGID-YUMQZZPRSA-N 0 3 284.341 -1.288 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001379261993 888115169 /nfs/dbraw/zinc/11/51/69/888115169.db2.gz VZBREECFZUKCSX-YUMQZZPRSA-N 0 3 272.305 -2.922 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c(C)o1 ZINC001379259975 888115266 /nfs/dbraw/zinc/11/52/66/888115266.db2.gz OVINONPOYNPQKD-HZGVNTEJSA-N 0 3 284.316 -1.154 20 0 CAADHN CCn1cnc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)c1 ZINC001379259624 888115329 /nfs/dbraw/zinc/11/53/29/888115329.db2.gz POWUCHNPJGIUCG-JTQLQIEISA-N 0 3 297.359 -1.329 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)c2ncn[nH]2)nn1 ZINC001379254730 888115734 /nfs/dbraw/zinc/11/57/34/888115734.db2.gz AEZVQLWVSHXNIV-QMMMGPOBSA-N 0 3 280.292 -2.186 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)c2nc[nH]n2)nn1 ZINC001379254730 888115740 /nfs/dbraw/zinc/11/57/40/888115740.db2.gz AEZVQLWVSHXNIV-QMMMGPOBSA-N 0 3 280.292 -2.186 20 0 CAADHN Cn1cncc1CC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001379262515 888115753 /nfs/dbraw/zinc/11/57/53/888115753.db2.gz YREUKPHVDAFYHH-WDEREUQCSA-N 0 3 295.343 -2.082 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)c2ncn[nH]2)nn1 ZINC001379254726 888115802 /nfs/dbraw/zinc/11/58/02/888115802.db2.gz AEZVQLWVSHXNIV-MRVPVSSYSA-N 0 3 280.292 -2.186 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)c2nc[nH]n2)nn1 ZINC001379254726 888115811 /nfs/dbraw/zinc/11/58/11/888115811.db2.gz AEZVQLWVSHXNIV-MRVPVSSYSA-N 0 3 280.292 -2.186 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001379261947 888115947 /nfs/dbraw/zinc/11/59/47/888115947.db2.gz KAOPNOZHDRTGTK-DTWKUNHWSA-N 0 3 296.331 -2.308 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c(C)o1 ZINC001379259985 888115991 /nfs/dbraw/zinc/11/59/91/888115991.db2.gz OVINONPOYNPQKD-MUWHJKNJSA-N 0 3 284.316 -1.154 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cccc(OC)n1 ZINC001379266470 888117163 /nfs/dbraw/zinc/11/71/63/888117163.db2.gz KKJOIGRRGDGWBQ-VIFPVBQESA-N 0 3 296.327 -1.484 20 0 CAADHN Cc1nccn1CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001379290068 888117210 /nfs/dbraw/zinc/11/72/10/888117210.db2.gz QNCQVYNBLDDYFJ-PSASIEDQSA-N 0 3 283.332 -1.868 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1nonc1C ZINC001379281421 888117444 /nfs/dbraw/zinc/11/74/44/888117444.db2.gz CNLKWJKBMCYBPU-ZETCQYMHSA-N 0 3 271.277 -2.196 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NCC(=O)NC1CC1 ZINC001379289210 888117578 /nfs/dbraw/zinc/11/75/78/888117578.db2.gz STJQDULWYULNRP-KOLCDFICSA-N 0 3 296.371 -1.020 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)CCNC(N)=O ZINC001379270918 888117609 /nfs/dbraw/zinc/11/76/09/888117609.db2.gz CQEMUSPFASDGJU-SNVBAGLBSA-N 0 3 298.347 -1.955 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cn1ccnc1C ZINC001379283451 888117976 /nfs/dbraw/zinc/11/79/76/888117976.db2.gz HZJMUMLNMLRSTP-JTQLQIEISA-N 0 3 283.332 -1.996 20 0 CAADHN Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001379276557 888117870 /nfs/dbraw/zinc/11/78/70/888117870.db2.gz LMSMASXUZHUNBP-JTQLQIEISA-N 0 3 297.359 -1.489 20 0 CAADHN Cc1n[nH]c(C)c1CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001379272678 888117895 /nfs/dbraw/zinc/11/78/95/888117895.db2.gz GAWIOMFHCWMZNT-UWVGGRQHSA-N 0 3 297.359 -1.490 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1coc(CC2CC2)n1 ZINC001379266006 888118350 /nfs/dbraw/zinc/11/83/50/888118350.db2.gz JKCKTPPQNFLZPO-VIFPVBQESA-N 0 3 296.327 -1.207 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cn1cncn1)C(N)=O ZINC001379282040 888118661 /nfs/dbraw/zinc/11/86/61/888118661.db2.gz YWZTYQXTKAXYKC-JGVFFNPUSA-N 0 3 270.293 -2.781 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001379267719 888118683 /nfs/dbraw/zinc/11/86/83/888118683.db2.gz MJWQFLVKWZXRAH-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2ccncn2)n[nH]1 ZINC001379266781 888118900 /nfs/dbraw/zinc/11/89/00/888118900.db2.gz VLPQITBMDMNHPW-SECBINFHSA-N 0 3 291.315 -1.216 20 0 CAADHN Cc1nccn1CC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001379283108 888118943 /nfs/dbraw/zinc/11/89/43/888118943.db2.gz GMKBOIKEFJYGPE-MNOVXSKESA-N 0 3 295.343 -1.853 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccncn1 ZINC001379265625 888119082 /nfs/dbraw/zinc/11/90/82/888119082.db2.gz UPAJZJWPNADYBK-IUCAKERBSA-N 0 3 279.300 -1.955 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)COc1ccc(F)cc1 ZINC001379277917 888119215 /nfs/dbraw/zinc/11/92/15/888119215.db2.gz OZVVZXOVHODFJN-JTQLQIEISA-N 0 3 299.302 -1.244 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)COc1cccnc1)C(N)=O ZINC001379270205 888119235 /nfs/dbraw/zinc/11/92/35/888119235.db2.gz ZWHLPFSQDLRGAP-VHSXEESVSA-N 0 3 296.327 -1.599 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)COc1cccnc1)C(N)=O ZINC001379270207 888119291 /nfs/dbraw/zinc/11/92/91/888119291.db2.gz ZWHLPFSQDLRGAP-ZJUUUORDSA-N 0 3 296.327 -1.599 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1ccc[nH]1 ZINC001379288636 888119328 /nfs/dbraw/zinc/11/93/28/888119328.db2.gz IWWBYBJLEFAPEN-MWLCHTKSSA-N 0 3 282.344 -1.242 20 0 CAADHN C[C@H]([NH2+]C[C@H](O)CNC(=O)Cc1nnc[n-]1)C(=O)N(C)C ZINC001379264097 888119378 /nfs/dbraw/zinc/11/93/78/888119378.db2.gz PJIVZIYOIFGDHV-IUCAKERBSA-N 0 3 298.347 -2.109 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccncn1 ZINC001379265626 888119387 /nfs/dbraw/zinc/11/93/87/888119387.db2.gz UPAJZJWPNADYBK-RKDXNWHRSA-N 0 3 279.300 -1.955 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001379290071 888119444 /nfs/dbraw/zinc/11/94/44/888119444.db2.gz QNCQVYNBLDDYFJ-SCZZXKLOSA-N 0 3 283.332 -1.868 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001379283122 888119454 /nfs/dbraw/zinc/11/94/54/888119454.db2.gz GMKBOIKEFJYGPE-WDEREUQCSA-N 0 3 295.343 -1.853 20 0 CAADHN C[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc1nnc[n-]1)C(=O)N(C)C ZINC001379264089 888119522 /nfs/dbraw/zinc/11/95/22/888119522.db2.gz PJIVZIYOIFGDHV-BDAKNGLRSA-N 0 3 298.347 -2.109 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1ccc[nH]1 ZINC001379288639 888119577 /nfs/dbraw/zinc/11/95/77/888119577.db2.gz IWWBYBJLEFAPEN-ONGXEEELSA-N 0 3 282.344 -1.242 20 0 CAADHN CC(=O)N[C@H](C)CNCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001379322134 888121025 /nfs/dbraw/zinc/12/10/25/888121025.db2.gz MVUNPZQXOCGGMQ-KOLCDFICSA-N 0 3 284.360 -1.176 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O ZINC001379318588 888120706 /nfs/dbraw/zinc/12/07/06/888120706.db2.gz DZUVIZVTYVDASI-DTWKUNHWSA-N 0 3 293.389 -1.269 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)c1cnn(C)c1N ZINC001379294172 888120777 /nfs/dbraw/zinc/12/07/77/888120777.db2.gz AUKCQCGIYXMUTE-QMMMGPOBSA-N 0 3 282.348 -1.072 20 0 CAADHN O=C(Cn1ccnc1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001379291700 888121001 /nfs/dbraw/zinc/12/10/01/888121001.db2.gz MDVYWQNQNICVCL-NXEZZACHSA-N 0 3 281.316 -2.162 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CCn1ccnn1 ZINC001379296852 888121222 /nfs/dbraw/zinc/12/12/22/888121222.db2.gz LBBRAJHRPRJGLE-JTQLQIEISA-N 0 3 282.348 -1.020 20 0 CAADHN CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)CNC(N)=O)C1 ZINC001379309268 888121447 /nfs/dbraw/zinc/12/14/47/888121447.db2.gz DNXBQFWMAPMDKV-SNVBAGLBSA-N 0 3 297.359 -1.582 20 0 CAADHN CCC(=O)NCC(=O)N(CC)CCN[C@@H](C)C(N)=O ZINC001379294077 888121874 /nfs/dbraw/zinc/12/18/74/888121874.db2.gz ABUUKAGIIIUHEL-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CCc1ncncc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001379295437 888121903 /nfs/dbraw/zinc/12/19/03/888121903.db2.gz YXHUQOUNRZQZNY-QMMMGPOBSA-N 0 3 281.316 -1.795 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001379314315 888122139 /nfs/dbraw/zinc/12/21/39/888122139.db2.gz HGGSCHGYGVEGHS-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(Cn1ccnc1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001379291709 888122248 /nfs/dbraw/zinc/12/22/48/888122248.db2.gz MDVYWQNQNICVCL-ZJUUUORDSA-N 0 3 281.316 -2.162 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NCC(N)=O ZINC001379315855 888122530 /nfs/dbraw/zinc/12/25/30/888122530.db2.gz RVJUWCAHACPNKG-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(=O)N[C@H](C)CNCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001379322136 888122979 /nfs/dbraw/zinc/12/29/79/888122979.db2.gz MVUNPZQXOCGGMQ-MWLCHTKSSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001379318294 888123013 /nfs/dbraw/zinc/12/30/13/888123013.db2.gz OAUOKYHDHZIYFH-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)C1CCC1 ZINC001379333724 888124408 /nfs/dbraw/zinc/12/44/08/888124408.db2.gz LMJGBTAASLJAOO-LLVKDONJSA-N 0 3 284.360 -1.122 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cncnc1 ZINC001379351079 888124558 /nfs/dbraw/zinc/12/45/58/888124558.db2.gz ZSRJEBNXOJORJT-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)c1ccoc1 ZINC001379351512 888124768 /nfs/dbraw/zinc/12/47/68/888124768.db2.gz PVVDZMPZWAYCLD-NSHDSACASA-N 0 3 296.327 -1.015 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CS(C)(=O)=O ZINC001379345552 888124787 /nfs/dbraw/zinc/12/47/87/888124787.db2.gz RLVCNALAVNOPKZ-BDAKNGLRSA-N 0 3 293.389 -1.398 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)C1CCOCC1 ZINC001379334850 888124944 /nfs/dbraw/zinc/12/49/44/888124944.db2.gz NYNBTFRAXCSRKK-GFCCVEGCSA-N 0 3 297.359 -1.229 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CN[C@H](CC)C(N)=O ZINC001379340901 888124982 /nfs/dbraw/zinc/12/49/82/888124982.db2.gz DOQGCRPGQVMNOZ-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CN1CCCC1=O ZINC001379337115 888125202 /nfs/dbraw/zinc/12/52/02/888125202.db2.gz JQEAFIIAYXKMMM-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCn1cncn1 ZINC001379333523 888125462 /nfs/dbraw/zinc/12/54/62/888125462.db2.gz BFEWFJZJNRBYRZ-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1cocn1 ZINC001379349855 888126264 /nfs/dbraw/zinc/12/62/64/888126264.db2.gz SIVRHASWXYYYIU-RNFRBKRXSA-N 0 3 283.288 -1.034 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001379338277 888126385 /nfs/dbraw/zinc/12/63/85/888126385.db2.gz IKOABYGZARORDX-BDAKNGLRSA-N 0 3 288.348 -1.087 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H](C)NC(N)=O ZINC001379358601 888128404 /nfs/dbraw/zinc/12/84/04/888128404.db2.gz ZGVAHYMOPROAQU-SFYZADRCSA-N 0 3 285.348 -1.584 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CN[C@@H]2CCCNC2=O)C1 ZINC001379358575 888128419 /nfs/dbraw/zinc/12/84/19/888128419.db2.gz YODGHNUIBDNMTP-BXKDBHETSA-N 0 3 296.371 -1.162 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)c1ccn[nH]1 ZINC001379355190 888128772 /nfs/dbraw/zinc/12/87/72/888128772.db2.gz AFEVLGAACPDBPM-SECBINFHSA-N 0 3 296.331 -1.885 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)Cn1ncnn1 ZINC001379353255 888129188 /nfs/dbraw/zinc/12/91/88/888129188.db2.gz DVQGCRSZTIGDRQ-BDAKNGLRSA-N 0 3 283.336 -1.756 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCCC1=O)c1cocn1 ZINC001379373696 888131019 /nfs/dbraw/zinc/13/10/19/888131019.db2.gz ZQCMVSYPJXXEEG-JTQLQIEISA-N 0 3 296.327 -1.023 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1cocn1 ZINC001379371725 888131269 /nfs/dbraw/zinc/13/12/69/888131269.db2.gz VNIKCSKGIPXABB-SECBINFHSA-N 0 3 280.288 -1.353 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@H]1CCC(=O)N1 ZINC001379367978 888132406 /nfs/dbraw/zinc/13/24/06/888132406.db2.gz IJAAPKVXAQOLTR-VHSXEESVSA-N 0 3 296.331 -2.377 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1cn[nH]c(=O)c1 ZINC001379383691 888133219 /nfs/dbraw/zinc/13/32/19/888133219.db2.gz IJTPWLLOHMLIPL-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001379383997 888134750 /nfs/dbraw/zinc/13/47/50/888134750.db2.gz OQLJJHVWGITFMA-SECBINFHSA-N 0 3 295.343 -1.376 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CN1CCOCC1=O ZINC001379381596 888135082 /nfs/dbraw/zinc/13/50/82/888135082.db2.gz JAOBTQJGGBPFOW-NXEZZACHSA-N 0 3 298.343 -2.172 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001379391434 888135100 /nfs/dbraw/zinc/13/51/00/888135100.db2.gz YJMARGRKKJGUJJ-MRVPVSSYSA-N 0 3 291.315 -1.422 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@H]1CCN(C)C1=O ZINC001379380325 888135344 /nfs/dbraw/zinc/13/53/44/888135344.db2.gz ICYKAPBNOQSXBK-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CC1(C(=O)NC[C@H](CO)NCCN2CCNC2=O)CC1 ZINC001379397400 888137590 /nfs/dbraw/zinc/13/75/90/888137590.db2.gz GRCBARNACDFWGC-SNVBAGLBSA-N 0 3 284.360 -1.122 20 0 CAADHN COC[C@H](OC)C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001379420094 888140509 /nfs/dbraw/zinc/14/05/09/888140509.db2.gz PGSRPMSWIKUMDR-SFYZADRCSA-N 0 3 290.320 -2.063 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1coc(C(N)=O)c1 ZINC001379401428 888138494 /nfs/dbraw/zinc/13/84/94/888138494.db2.gz ARQWZZHALJJUHX-VXNVDRBHSA-N 0 3 294.311 -1.025 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001379420896 888141164 /nfs/dbraw/zinc/14/11/64/888141164.db2.gz WTWMFTWRIGGKBY-RKDXNWHRSA-N 0 3 283.332 -2.006 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001379416786 888139650 /nfs/dbraw/zinc/13/96/50/888139650.db2.gz SQNPMYVVYLJCDO-RKDXNWHRSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001379417245 888139713 /nfs/dbraw/zinc/13/97/13/888139713.db2.gz WJKMDAOJWGGCCG-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CNC(=O)N1 ZINC001379416176 888140615 /nfs/dbraw/zinc/14/06/15/888140615.db2.gz JEADHDURSQYLPL-HTQZYQBOSA-N 0 3 271.321 -2.150 20 0 CAADHN CO[C@@H](C(=O)N[C@H](C)CNCC(=O)NC(N)=O)C(C)C ZINC001379423029 888140700 /nfs/dbraw/zinc/14/07/00/888140700.db2.gz WQRXMZOJGKVBJV-PSASIEDQSA-N 0 3 288.348 -1.053 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001379421656 888141017 /nfs/dbraw/zinc/14/10/17/888141017.db2.gz ULSZVVRXVDLUIG-SFYZADRCSA-N 0 3 281.316 -1.278 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@@H]1CCCCO1 ZINC001379407605 888141092 /nfs/dbraw/zinc/14/10/92/888141092.db2.gz ZZSCVRSXEZVECT-RYUDHWBXSA-N 0 3 297.359 -1.086 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cccc(=O)n1C ZINC001379425439 888142461 /nfs/dbraw/zinc/14/24/61/888142461.db2.gz XRNZCNJNPZFNAT-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001379436903 888143801 /nfs/dbraw/zinc/14/38/01/888143801.db2.gz NJLTUAUQFQCQBQ-SFYZADRCSA-N 0 3 270.289 -1.757 20 0 CAADHN C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001379436891 888143909 /nfs/dbraw/zinc/14/39/09/888143909.db2.gz NJLTUAUQFQCQBQ-HTQZYQBOSA-N 0 3 270.289 -1.757 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C(C)(C)N1CCOCC1 ZINC001379432839 888144074 /nfs/dbraw/zinc/14/40/74/888144074.db2.gz PDTKNYCSCSNONO-SNVBAGLBSA-N 0 3 286.376 -1.323 20 0 CAADHN Cc1nnc(CN[C@@H](CO)CNC(=O)[C@H]2CCCN2C)[nH]1 ZINC001379465072 888145123 /nfs/dbraw/zinc/14/51/23/888145123.db2.gz NBLOGUYYOZZFIA-GHMZBOCLSA-N 0 3 296.375 -1.226 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001379448670 888146420 /nfs/dbraw/zinc/14/64/20/888146420.db2.gz JONDDQQXWVHSKI-BBBLOLIVSA-N 0 3 282.344 -1.362 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1ccn(C)n1 ZINC001379462954 888146540 /nfs/dbraw/zinc/14/65/40/888146540.db2.gz XQHIDAULSMVXIW-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001379445825 888146597 /nfs/dbraw/zinc/14/65/97/888146597.db2.gz AMARIXZTCMYDDB-KOLCDFICSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ccn(C)n1 ZINC001379462958 888147174 /nfs/dbraw/zinc/14/71/74/888147174.db2.gz XQHIDAULSMVXIW-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CS(=O)(=O)C(C)(C)C ZINC001379451770 888147749 /nfs/dbraw/zinc/14/77/49/888147749.db2.gz QNSMJFLMSAWMDX-MRVPVSSYSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001379482609 888149788 /nfs/dbraw/zinc/14/97/88/888149788.db2.gz RAJUYFRFIZMMDN-HLTSFMKQSA-N 0 3 285.348 -1.502 20 0 CAADHN Cc1ncoc1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001379493453 888152410 /nfs/dbraw/zinc/15/24/10/888152410.db2.gz VNQPNENCCCOSNO-LURJTMIESA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cn(C)cn1 ZINC001379494716 888152751 /nfs/dbraw/zinc/15/27/51/888152751.db2.gz MRGFLJCSKSQZRY-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H](C)OC ZINC001379494903 888153247 /nfs/dbraw/zinc/15/32/47/888153247.db2.gz NTWMXGXSIUENQB-YUMQZZPRSA-N 0 3 274.321 -1.429 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1cnn(C)c1N ZINC001379489630 888153781 /nfs/dbraw/zinc/15/37/81/888153781.db2.gz HVYRBZHBJBPFRT-QMMMGPOBSA-N 0 3 282.348 -1.154 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1cn(C)nn1 ZINC001379491278 888154011 /nfs/dbraw/zinc/15/40/11/888154011.db2.gz BVXYZUDERKQXRV-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cn(C)cn1 ZINC001379492817 888154467 /nfs/dbraw/zinc/15/44/67/888154467.db2.gz GFAVSUBEYFYZOK-QMMMGPOBSA-N 0 3 293.331 -1.250 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1nccnc1N ZINC001379496079 888154685 /nfs/dbraw/zinc/15/46/85/888154685.db2.gz IXWLECZUBVHFBG-QMMMGPOBSA-N 0 3 280.332 -1.097 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN(C)C(=O)COC ZINC001379510582 888156031 /nfs/dbraw/zinc/15/60/31/888156031.db2.gz OUBVVFOSVNOGDM-VIFPVBQESA-N 0 3 288.348 -2.069 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CNCC(=O)N(C)C)C1 ZINC001379499363 888156217 /nfs/dbraw/zinc/15/62/17/888156217.db2.gz AIESFXSSTRPKBH-VIFPVBQESA-N 0 3 284.360 -1.353 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001379508630 888157243 /nfs/dbraw/zinc/15/72/43/888157243.db2.gz PQSODAZWDGVZCX-SNVBAGLBSA-N 0 3 294.315 -1.045 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NCc1nnnn1C ZINC001379527047 888159264 /nfs/dbraw/zinc/15/92/64/888159264.db2.gz TVRFKPQMUCBXCW-SNVBAGLBSA-N 0 3 299.379 -1.883 20 0 CAADHN C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H](C)CNCC(N)=O ZINC001379517424 888159643 /nfs/dbraw/zinc/15/96/43/888159643.db2.gz XUWYLWLCBBKAKP-DTWKUNHWSA-N 0 3 296.327 -1.023 20 0 CAADHN CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001379525070 888159774 /nfs/dbraw/zinc/15/97/74/888159774.db2.gz SEIYLRJHUXISLY-GXSJLCMTSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CNC(=O)NC)C(N)=O ZINC001379512941 888160825 /nfs/dbraw/zinc/16/08/25/888160825.db2.gz ZQSMZDVHBBBRGF-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H](CO)NCC(=O)N(C)C ZINC001379523207 888160910 /nfs/dbraw/zinc/16/09/10/888160910.db2.gz BPTAPANGXKZHIN-NSHDSACASA-N 0 3 297.359 -1.654 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NCc1nnnn1C ZINC001379527045 888160970 /nfs/dbraw/zinc/16/09/70/888160970.db2.gz TVRFKPQMUCBXCW-JTQLQIEISA-N 0 3 299.379 -1.883 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CNCC(=O)N1CCCC1 ZINC001379512919 888161015 /nfs/dbraw/zinc/16/10/15/888161015.db2.gz ZDHBINGEFXTIIF-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cnn2ncccc12 ZINC001379512144 888161297 /nfs/dbraw/zinc/16/12/97/888161297.db2.gz MOWMOPZBCKTLAY-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CN1CC[C@@H](N[C@@H](CO)CNC(=O)CN2CCCC2)C1=O ZINC001379523668 888161416 /nfs/dbraw/zinc/16/14/16/888161416.db2.gz CXMOWBMCZGEBAU-VXGBXAGGSA-N 0 3 298.387 -1.620 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CCn1cnnn1 ZINC001379559206 888162727 /nfs/dbraw/zinc/16/27/27/888162727.db2.gz CMJWOBHDEREEJW-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CNC(=O)C1CC1 ZINC001379575641 888162865 /nfs/dbraw/zinc/16/28/65/888162865.db2.gz FPCXPINIEIVMJP-WPRPVWTQSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cccnn1 ZINC001379565473 888162987 /nfs/dbraw/zinc/16/29/87/888162987.db2.gz FRNSHALVRWKHLC-QMMMGPOBSA-N 0 3 291.315 -1.194 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001379546201 888163210 /nfs/dbraw/zinc/16/32/10/888163210.db2.gz DTXJKHBROHBWEG-JGVFFNPUSA-N 0 3 271.321 -2.102 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)Cn2cncn2)C1 ZINC001379580363 888163618 /nfs/dbraw/zinc/16/36/18/888163618.db2.gz BFKJHOAXXVIESP-UWVGGRQHSA-N 0 3 280.332 -1.397 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001379536767 888163669 /nfs/dbraw/zinc/16/36/69/888163669.db2.gz AKYPDAOXCUZFTA-VIFPVBQESA-N 0 3 298.347 -2.188 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCCC(N)=O ZINC001379582486 888163719 /nfs/dbraw/zinc/16/37/19/888163719.db2.gz GGEWDWMQKREYJC-BDAKNGLRSA-N 0 3 270.333 -1.294 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1C ZINC001379557438 888163900 /nfs/dbraw/zinc/16/39/00/888163900.db2.gz UUNRJCHJQVBMMY-RKDXNWHRSA-N 0 3 293.327 -1.292 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001379539750 888164213 /nfs/dbraw/zinc/16/42/13/888164213.db2.gz VDPDORCCENUWNQ-ONGXEEELSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)C2CN(C(C)=O)C2)C1 ZINC001379588419 888164576 /nfs/dbraw/zinc/16/45/76/888164576.db2.gz VRLNLIGNRWKAIO-CABZTGNLSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)Cc1ncc[nH]1 ZINC001379559577 888165014 /nfs/dbraw/zinc/16/50/14/888165014.db2.gz DMOPRBNKQKLXBM-QMMMGPOBSA-N 0 3 296.331 -1.498 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H](CO)N[C@@H](C)C(N)=O ZINC001379531564 888165032 /nfs/dbraw/zinc/16/50/32/888165032.db2.gz WKGQPYUQCCKHGO-WPRPVWTQSA-N 0 3 283.332 -1.868 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)C2CN(C(C)=O)C2)C1 ZINC001379588423 888165112 /nfs/dbraw/zinc/16/51/12/888165112.db2.gz VRLNLIGNRWKAIO-JOYOIKCWSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001379563235 888165225 /nfs/dbraw/zinc/16/52/25/888165225.db2.gz PISOVNMKWUSWNP-ZETCQYMHSA-N 0 3 294.377 -2.106 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001379579199 888165286 /nfs/dbraw/zinc/16/52/86/888165286.db2.gz JGTYIXIUNYPIOX-YUMQZZPRSA-N 0 3 299.331 -2.185 20 0 CAADHN C[C@@H](C[NH2+]CC(=O)N1CCC1)NC(=O)Cc1nnc[n-]1 ZINC001379660234 888165950 /nfs/dbraw/zinc/16/59/50/888165950.db2.gz MZKUDRDUFMEUQC-VIFPVBQESA-N 0 3 280.332 -1.326 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001379603441 888166504 /nfs/dbraw/zinc/16/65/04/888166504.db2.gz PWJYWHXASQZVGV-DTWKUNHWSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001379590631 888167630 /nfs/dbraw/zinc/16/76/30/888167630.db2.gz CCKWUTNYPJJAAF-YUMQZZPRSA-N 0 3 277.346 -1.857 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccc(C(N)=O)nc1 ZINC001379606617 888167987 /nfs/dbraw/zinc/16/79/87/888167987.db2.gz MOKYZEISDYLRFP-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001379590627 888168084 /nfs/dbraw/zinc/16/80/84/888168084.db2.gz CFNJNWVSNAPJFV-NKWVEPMBSA-N 0 3 278.334 -2.742 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001379603445 888168307 /nfs/dbraw/zinc/16/83/07/888168307.db2.gz PWJYWHXASQZVGV-RKDXNWHRSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(C)n1 ZINC001379755920 888169659 /nfs/dbraw/zinc/16/96/59/888169659.db2.gz IDTWJFPBVMCOGZ-WCBMZHEXSA-N 0 3 297.359 -1.125 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001379740219 888169847 /nfs/dbraw/zinc/16/98/47/888169847.db2.gz DVBOLUXOKLFZPC-ZJUUUORDSA-N 0 3 295.343 -1.366 20 0 CAADHN Cc1ncncc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001379743648 888169914 /nfs/dbraw/zinc/16/99/14/888169914.db2.gz NBJRJAMJFHKRSZ-VHSXEESVSA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001379740214 888169982 /nfs/dbraw/zinc/16/99/82/888169982.db2.gz DVBOLUXOKLFZPC-UWVGGRQHSA-N 0 3 295.343 -1.366 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001379742934 888169996 /nfs/dbraw/zinc/16/99/96/888169996.db2.gz IIYCJMLXYAXMML-UWVGGRQHSA-N 0 3 286.332 -2.580 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001379742938 888170228 /nfs/dbraw/zinc/17/02/28/888170228.db2.gz IIYCJMLXYAXMML-VHSXEESVSA-N 0 3 286.332 -2.580 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccncc1F ZINC001379754163 888170380 /nfs/dbraw/zinc/17/03/80/888170380.db2.gz CCDGVJCVRWYOST-SECBINFHSA-N 0 3 298.318 -1.011 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001379736822 888170426 /nfs/dbraw/zinc/17/04/26/888170426.db2.gz AIRRAUJTOTTYEO-SNVBAGLBSA-N 0 3 275.349 -1.480 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)NC)CC1(C)C ZINC001379716718 888170442 /nfs/dbraw/zinc/17/04/42/888170442.db2.gz ZDPSOXGQYIRIGL-SECBINFHSA-N 0 3 299.375 -1.512 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cocn1 ZINC001379763472 888170460 /nfs/dbraw/zinc/17/04/60/888170460.db2.gz WBTOADGIXDRITL-DTWKUNHWSA-N 0 3 282.300 -1.414 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@H]1COC(=O)C1 ZINC001379763395 888170518 /nfs/dbraw/zinc/17/05/18/888170518.db2.gz BWVZCAXQANMNRA-BDAKNGLRSA-N 0 3 287.316 -2.166 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1ccccn1)C(N)=O ZINC001379741115 888170533 /nfs/dbraw/zinc/17/05/33/888170533.db2.gz GNMYRYBFBBTYBE-UWVGGRQHSA-N 0 3 280.328 -1.022 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cocn1 ZINC001379763470 888170595 /nfs/dbraw/zinc/17/05/95/888170595.db2.gz WBTOADGIXDRITL-BDAKNGLRSA-N 0 3 282.300 -1.414 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@@H]2CCNC2=O)no1 ZINC001379740512 888170716 /nfs/dbraw/zinc/17/07/16/888170716.db2.gz GGSURKBTMSOTAQ-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ccccn1)C(N)=O ZINC001379741125 888170768 /nfs/dbraw/zinc/17/07/68/888170768.db2.gz GNMYRYBFBBTYBE-ZJUUUORDSA-N 0 3 280.328 -1.022 20 0 CAADHN Cc1ncncc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001379743641 888170837 /nfs/dbraw/zinc/17/08/37/888170837.db2.gz NBJRJAMJFHKRSZ-NXEZZACHSA-N 0 3 295.343 -1.319 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cocn1 ZINC001379763476 888170861 /nfs/dbraw/zinc/17/08/61/888170861.db2.gz WBTOADGIXDRITL-RKDXNWHRSA-N 0 3 282.300 -1.414 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NC[C@H](O)CN(C)C(C)=O ZINC001379728741 888170937 /nfs/dbraw/zinc/17/09/37/888170937.db2.gz KAGQMUWNRSAPJH-WPRPVWTQSA-N 0 3 288.348 -1.351 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@H]2CCNC2=O)no1 ZINC001379740507 888171143 /nfs/dbraw/zinc/17/11/43/888171143.db2.gz GGSURKBTMSOTAQ-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(C)n1 ZINC001379755915 888171343 /nfs/dbraw/zinc/17/13/43/888171343.db2.gz IDTWJFPBVMCOGZ-PSASIEDQSA-N 0 3 297.359 -1.125 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@@H]2CCNC2=O)no1 ZINC001379740504 888171694 /nfs/dbraw/zinc/17/16/94/888171694.db2.gz GGSURKBTMSOTAQ-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnsn1)C(N)=O ZINC001379740601 888171718 /nfs/dbraw/zinc/17/17/18/888171718.db2.gz GLABFPWHFSVFED-RNFRBKRXSA-N 0 3 287.345 -1.566 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)co1 ZINC001379771047 888172948 /nfs/dbraw/zinc/17/29/48/888172948.db2.gz GDNJWLBXJQEOMO-CBAPKCEASA-N 0 3 284.316 -1.121 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CS(C)(=O)=O ZINC001379769914 888173112 /nfs/dbraw/zinc/17/31/12/888173112.db2.gz SQYXUBDNOLCOMR-ZETCQYMHSA-N 0 3 281.334 -3.075 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)COC(C)(C)C ZINC001379771257 888173150 /nfs/dbraw/zinc/17/31/50/888173150.db2.gz QNOMBCVGPHIELT-SNVBAGLBSA-N 0 3 289.376 -1.044 20 0 CAADHN CCc1c[nH]c(CC(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001379793123 888173292 /nfs/dbraw/zinc/17/32/92/888173292.db2.gz YYAWDLPQCPMMEL-SNVBAGLBSA-N 0 3 297.359 -1.591 20 0 CAADHN CCn1ccnc1C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001379769350 888173358 /nfs/dbraw/zinc/17/33/58/888173358.db2.gz CASYGFFYKKLMON-JTQLQIEISA-N 0 3 297.359 -1.329 20 0 CAADHN CO[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001379771391 888173373 /nfs/dbraw/zinc/17/33/73/888173373.db2.gz UPGXXQDELFJHML-ZJUUUORDSA-N 0 3 275.349 -1.482 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)c1ccon1 ZINC001379763805 888173544 /nfs/dbraw/zinc/17/35/44/888173544.db2.gz LRENYASTAPKSBP-JTQLQIEISA-N 0 3 296.327 -1.071 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1 ZINC001379778250 888173638 /nfs/dbraw/zinc/17/36/38/888173638.db2.gz VGIRMEKCKAEEGC-JTQLQIEISA-N 0 3 286.332 -2.641 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001379777875 888173961 /nfs/dbraw/zinc/17/39/61/888173961.db2.gz KKOCIAXWZAGSRS-MRVPVSSYSA-N 0 3 284.320 -2.416 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001379781768 888174049 /nfs/dbraw/zinc/17/40/49/888174049.db2.gz SMVVYDIAOVBNKY-VIFPVBQESA-N 0 3 283.332 -1.480 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001379810058 888174197 /nfs/dbraw/zinc/17/41/97/888174197.db2.gz DYRFZLSHZWKXCX-MEWQQHAOSA-N 0 3 299.371 -1.624 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)co1 ZINC001379771049 888174236 /nfs/dbraw/zinc/17/42/36/888174236.db2.gz GDNJWLBXJQEOMO-VXNVDRBHSA-N 0 3 284.316 -1.121 20 0 CAADHN CCc1c[nH]c(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001379793121 888174335 /nfs/dbraw/zinc/17/43/35/888174335.db2.gz YYAWDLPQCPMMEL-JTQLQIEISA-N 0 3 297.359 -1.591 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@H]1CCOC1 ZINC001379839673 888175494 /nfs/dbraw/zinc/17/54/94/888175494.db2.gz OFGMVRSNLWPCMP-ZJUUUORDSA-N 0 3 273.333 -1.693 20 0 CAADHN COc1ncccc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001379822439 888175512 /nfs/dbraw/zinc/17/55/12/888175512.db2.gz OWBBCTOGKPNVDP-VIFPVBQESA-N 0 3 296.327 -1.402 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001379854779 888175657 /nfs/dbraw/zinc/17/56/57/888175657.db2.gz HPWOFIWRUSMTMR-SCZZXKLOSA-N 0 3 295.347 -1.708 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccncn1 ZINC001379838954 888175674 /nfs/dbraw/zinc/17/56/74/888175674.db2.gz GYMWRGBWJIBHKU-VHSXEESVSA-N 0 3 293.327 -1.612 20 0 CAADHN COc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)nn1C ZINC001379815480 888175715 /nfs/dbraw/zinc/17/57/15/888175715.db2.gz OMLAJVXOFMILEL-MRVPVSSYSA-N 0 3 299.331 -2.064 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001379853152 888175810 /nfs/dbraw/zinc/17/58/10/888175810.db2.gz MMMOEDSIFMYPLF-VIFPVBQESA-N 0 3 281.316 -1.755 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001379853159 888175898 /nfs/dbraw/zinc/17/58/98/888175898.db2.gz BNLIGZZNTZAUKV-NSHDSACASA-N 0 3 282.344 -1.566 20 0 CAADHN CC(=O)N[C@@H](CNCC(=O)N1CCNC(=O)C1)C1CC1 ZINC001379843168 888175911 /nfs/dbraw/zinc/17/59/11/888175911.db2.gz WOTXEWNAKZUEQY-NSHDSACASA-N 0 3 282.344 -1.551 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001379858663 888175989 /nfs/dbraw/zinc/17/59/89/888175989.db2.gz KSBYTUUHISJSEW-WCBMZHEXSA-N 0 3 299.375 -1.336 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001379853156 888176014 /nfs/dbraw/zinc/17/60/14/888176014.db2.gz BNLIGZZNTZAUKV-LLVKDONJSA-N 0 3 282.344 -1.566 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)Cc1cnoc1)C(N)=O ZINC001379816803 888176055 /nfs/dbraw/zinc/17/60/55/888176055.db2.gz NYEZMLMMRAREPT-QWRGUYRKSA-N 0 3 298.343 -1.110 20 0 CAADHN COc1nn(C)cc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001379826817 888176088 /nfs/dbraw/zinc/17/60/88/888176088.db2.gz SXBRSDOEPWEBSM-QMMMGPOBSA-N 0 3 299.331 -2.064 20 0 CAADHN Cn1cc(C(=O)N[C@H](CN[C@H]2CCNC2=O)C2CC2)nn1 ZINC001379854927 888176120 /nfs/dbraw/zinc/17/61/20/888176120.db2.gz FZIBOWNKRJIPGA-VHSXEESVSA-N 0 3 292.343 -1.198 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@@H](O)CNCC(=O)NC)nn1 ZINC001379848180 888176293 /nfs/dbraw/zinc/17/62/93/888176293.db2.gz CDNDSEHQEZMDIS-VIFPVBQESA-N 0 3 298.347 -1.934 20 0 CAADHN CCn1ncc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)n1 ZINC001379853630 888176486 /nfs/dbraw/zinc/17/64/86/888176486.db2.gz CNLYDLHOOSFEAZ-VIFPVBQESA-N 0 3 280.332 -1.119 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001379858111 888177060 /nfs/dbraw/zinc/17/70/60/888177060.db2.gz IQBWTBXNWCAIDE-QMMMGPOBSA-N 0 3 297.315 -2.712 20 0 CAADHN Cc1cnn(CC(=O)N(C)C[C@H](O)CN(C)CCO)c1 ZINC001379910819 888178788 /nfs/dbraw/zinc/17/87/88/888178788.db2.gz NPCVJMUYPLQVLB-GFCCVEGCSA-N 0 3 284.360 -1.065 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001379887851 888178887 /nfs/dbraw/zinc/17/88/87/888178887.db2.gz MUOPOISUXUTGMS-KOLCDFICSA-N 0 3 297.359 -1.582 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001379869666 888178947 /nfs/dbraw/zinc/17/89/47/888178947.db2.gz WZGZZWJWHOBYLC-JTQLQIEISA-N 0 3 298.347 -2.177 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](NC(=O)c1cnco1)C1CC1 ZINC001379882805 888179042 /nfs/dbraw/zinc/17/90/42/888179042.db2.gz RDLDCKRYAQIHMQ-QMMMGPOBSA-N 0 3 295.299 -1.033 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN(C)CCn1cncn1 ZINC001379864421 888179248 /nfs/dbraw/zinc/17/92/48/888179248.db2.gz GPSOOYOKFPSNBR-NSHDSACASA-N 0 3 285.348 -1.324 20 0 CAADHN CCc1nc[nH]c1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001379866830 888179194 /nfs/dbraw/zinc/17/91/94/888179194.db2.gz CXIIFRSHHARICK-DTWKUNHWSA-N 0 3 297.359 -1.132 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)c1cnnn1C)C1CC1 ZINC001379862359 888179269 /nfs/dbraw/zinc/17/92/69/888179269.db2.gz QPZYOLIOOKNWAV-SECBINFHSA-N 0 3 280.332 -1.341 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 ZINC001379911877 888179411 /nfs/dbraw/zinc/17/94/11/888179411.db2.gz DGUSJHDQHWHFQM-UWVGGRQHSA-N 0 3 297.359 -1.501 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)Cc1ccc[nH]1 ZINC001379867562 888179604 /nfs/dbraw/zinc/17/96/04/888179604.db2.gz QCQHDGJMBOXZGR-NEPJUHHUSA-N 0 3 294.355 -1.145 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@H](O)CN(C)CCO ZINC001379912259 888179681 /nfs/dbraw/zinc/17/96/81/888179681.db2.gz BTIXDDKHBDNXQB-SNVBAGLBSA-N 0 3 290.364 -1.951 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1cnn(C)c1 ZINC001379866083 888180222 /nfs/dbraw/zinc/18/02/22/888180222.db2.gz NXDWZWWZWJFSBI-LLVKDONJSA-N 0 3 297.359 -1.753 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)CC1=O ZINC001379867287 888180386 /nfs/dbraw/zinc/18/03/86/888180386.db2.gz CXMCAOFPIQYSGO-VHSXEESVSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001379887855 888180700 /nfs/dbraw/zinc/18/07/00/888180700.db2.gz MUOPOISUXUTGMS-ONGXEEELSA-N 0 3 297.359 -1.582 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001379964680 888181940 /nfs/dbraw/zinc/18/19/40/888181940.db2.gz IKSZOAFJDMOOGN-SNVBAGLBSA-N 0 3 270.333 -1.304 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001379924225 888182038 /nfs/dbraw/zinc/18/20/38/888182038.db2.gz PXMHFWXKZWVSFK-SCZZXKLOSA-N 0 3 294.359 -1.034 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001379960726 888183581 /nfs/dbraw/zinc/18/35/81/888183581.db2.gz HPSBACAHQHWIIM-VIFPVBQESA-N 0 3 284.316 -1.873 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)Cn1cncn1)C1CC1 ZINC001379931334 888183647 /nfs/dbraw/zinc/18/36/47/888183647.db2.gz YQWCDXNQPWIGBV-NSHDSACASA-N 0 3 294.359 -1.101 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001379968930 888183787 /nfs/dbraw/zinc/18/37/87/888183787.db2.gz SZBMOZFTHMCSFF-JTQLQIEISA-N 0 3 298.343 -1.219 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001379960720 888183914 /nfs/dbraw/zinc/18/39/14/888183914.db2.gz HPSBACAHQHWIIM-SECBINFHSA-N 0 3 284.316 -1.873 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C ZINC001380042986 888185862 /nfs/dbraw/zinc/18/58/62/888185862.db2.gz JCENEQGWJQCSMV-VIFPVBQESA-N 0 3 272.349 -1.272 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001379971608 888186955 /nfs/dbraw/zinc/18/69/55/888186955.db2.gz XPQGXNLCUSXNAU-CMPLNLGQSA-N 0 3 278.324 -1.142 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)Cn1ncnn1)C(C)(C)C)C(N)=O ZINC001380077658 888190041 /nfs/dbraw/zinc/19/00/41/888190041.db2.gz XYWWWDSVJDVCRB-DTWKUNHWSA-N 0 3 297.363 -1.333 20 0 CAADHN CN1CCO[C@H](C(=O)NCC2(N[C@H]3CCNC3=O)CC2)C1 ZINC001380065234 888190866 /nfs/dbraw/zinc/19/08/66/888190866.db2.gz TUPZLEFHHTVNQS-QWRGUYRKSA-N 0 3 296.371 -1.556 20 0 CAADHN Cc1nnc(CC(=O)NCC2(N[C@@H](C)C(N)=O)CC2)[nH]1 ZINC001380087242 888191158 /nfs/dbraw/zinc/19/11/58/888191158.db2.gz WBGPLZHESPEOLJ-ZETCQYMHSA-N 0 3 280.332 -1.232 20 0 CAADHN Cn1cnc(C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)n1 ZINC001380087598 888191635 /nfs/dbraw/zinc/19/16/35/888191635.db2.gz OHVUUDSXXIXZNH-SECBINFHSA-N 0 3 292.343 -1.054 20 0 CAADHN Cc1nnc(CC(=O)NCC2(N[C@@H]3CCNC3=O)CC2)[nH]1 ZINC001380086952 888191941 /nfs/dbraw/zinc/19/19/41/888191941.db2.gz UQDGNUOLFXGION-SECBINFHSA-N 0 3 292.343 -1.217 20 0 CAADHN CN1CCO[C@@H](C(=O)NCC2(N[C@H]3CCNC3=O)CC2)C1 ZINC001380065236 888191994 /nfs/dbraw/zinc/19/19/94/888191994.db2.gz TUPZLEFHHTVNQS-WDEREUQCSA-N 0 3 296.371 -1.556 20 0 CAADHN COCCN(CCNC(=O)c1cn(C)nn1)C[C@@H](C)O ZINC001380116962 888195064 /nfs/dbraw/zinc/19/50/64/888195064.db2.gz QDMYCUDSDSVJIS-SNVBAGLBSA-N 0 3 285.348 -1.126 20 0 CAADHN NC(=O)CNC1(CNC(=O)CCN2CCOCC2)CC1 ZINC001380148058 888195380 /nfs/dbraw/zinc/19/53/80/888195380.db2.gz CBSLAPLQJISUFY-UHFFFAOYSA-N 0 3 284.360 -1.568 20 0 CAADHN CCCN(C)CC(=O)N(C)C1CN(CC(=O)NC(N)=O)C1 ZINC001380251553 888197900 /nfs/dbraw/zinc/19/79/00/888197900.db2.gz IZGUOLONRVPVIQ-UHFFFAOYSA-N 0 3 299.375 -1.334 20 0 CAADHN CN(C(=O)[C@H]1CCCN1C)C1CN(CC(=O)NC(N)=O)C1 ZINC001380220541 888198062 /nfs/dbraw/zinc/19/80/62/888198062.db2.gz IGQWFUPHYRAKSL-SNVBAGLBSA-N 0 3 297.359 -1.582 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001380291630 888199044 /nfs/dbraw/zinc/19/90/44/888199044.db2.gz QVSJGVXUJDYFTA-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN CN1CC[C@H](CC(=O)N2CCC[C@H]2CNCC(N)=O)C1=O ZINC001380281746 888199142 /nfs/dbraw/zinc/19/91/42/888199142.db2.gz BFDJKYLGKKJQCV-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@@H]2CNCC(N)=O)c1N ZINC001380268714 888199306 /nfs/dbraw/zinc/19/93/06/888199306.db2.gz IVSGICQEBFZLQU-MRVPVSSYSA-N 0 3 280.332 -1.318 20 0 CAADHN CN1CC[C@@H](CC(=O)N2CCC[C@H]2CNCC(N)=O)C1=O ZINC001380281749 888199449 /nfs/dbraw/zinc/19/94/49/888199449.db2.gz BFDJKYLGKKJQCV-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN COCCC(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001380263210 888199505 /nfs/dbraw/zinc/19/95/05/888199505.db2.gz HJLVICHVWKDZLC-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CN1CCOCC1=O ZINC001380268476 888199571 /nfs/dbraw/zinc/19/95/71/888199571.db2.gz GWCLXYSVTMQMHO-SNVBAGLBSA-N 0 3 298.343 -2.089 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)c1cn(C)nn1)C(N)=O ZINC001380262295 888199638 /nfs/dbraw/zinc/19/96/38/888199638.db2.gz GMUAADXLNJCCEN-RKDXNWHRSA-N 0 3 280.332 -1.117 20 0 CAADHN CCn1nncc1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001380264004 888200018 /nfs/dbraw/zinc/20/00/18/888200018.db2.gz JZUPUEIMSNIBHI-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN CN1CC[C@H](C(=O)N2CCC[C@H]2CNCC(N)=O)CC1=O ZINC001380286840 888200250 /nfs/dbraw/zinc/20/02/50/888200250.db2.gz MZBBPJYWHPUCEH-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1nnc(C(=O)N[C@@H](CNCC(N)=O)C2CCCC2)n1 ZINC001380322070 888200717 /nfs/dbraw/zinc/20/07/17/888200717.db2.gz IKGDYODICHRFKV-VIFPVBQESA-N 0 3 295.347 -1.426 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC001380290830 888201023 /nfs/dbraw/zinc/20/10/23/888201023.db2.gz OSYAFBZBMLSNFR-QMMMGPOBSA-N 0 3 293.327 -1.207 20 0 CAADHN CN1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(N)=O)CC1=O ZINC001380286837 888201569 /nfs/dbraw/zinc/20/15/69/888201569.db2.gz MZBBPJYWHPUCEH-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)c2cn[n-]n2)C1 ZINC001380410972 888202980 /nfs/dbraw/zinc/20/29/80/888202980.db2.gz ORUXBIWDGURDBE-GFCCVEGCSA-N 0 3 280.332 -1.008 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1ccc(=O)[nH]n1 ZINC001380513856 888203520 /nfs/dbraw/zinc/20/35/20/888203520.db2.gz OZILRKQQLISVKU-GFCCVEGCSA-N 0 3 282.300 -1.659 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1ccc(=O)[nH]n1 ZINC001380513869 888203606 /nfs/dbraw/zinc/20/36/06/888203606.db2.gz OZILRKQQLISVKU-LBPRGKRZSA-N 0 3 282.300 -1.659 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cc2cc[nH]n2)CCOCC1 ZINC001380483803 888204077 /nfs/dbraw/zinc/20/40/77/888204077.db2.gz BHDZCFACKYNAMA-UHFFFAOYSA-N 0 3 295.343 -1.308 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@@H]1COCCO1 ZINC001380521062 888204368 /nfs/dbraw/zinc/20/43/68/888204368.db2.gz LUCDMCVFRIVYDY-CMPLNLGQSA-N 0 3 274.317 -2.053 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@]1(O)CCN(CCn2cncn2)C1 ZINC001380513172 888204410 /nfs/dbraw/zinc/20/44/10/888204410.db2.gz FWPPWXLNYJTNIY-WCQYABFASA-N 0 3 297.359 -1.134 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2nnn(C)c2C)C1 ZINC001380527437 888205210 /nfs/dbraw/zinc/20/52/10/888205210.db2.gz BLCHKODQQGQPQU-CYBMUJFWSA-N 0 3 297.359 -1.063 20 0 CAADHN O=C(CCn1cncn1)NC[C@@]1(O)CCN(CCO)C1 ZINC001380513164 888205421 /nfs/dbraw/zinc/20/54/21/888205421.db2.gz CYWLOTCDFQAIFT-LBPRGKRZSA-N 0 3 283.332 -1.787 20 0 CAADHN CO[C@H](C)C(=O)NC[C@]1(O)CCN(CCn2cncn2)C1 ZINC001380513170 888205928 /nfs/dbraw/zinc/20/59/28/888205928.db2.gz FWPPWXLNYJTNIY-DGCLKSJQSA-N 0 3 297.359 -1.134 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@@H]1COCCO1 ZINC001380521108 888206231 /nfs/dbraw/zinc/20/62/31/888206231.db2.gz LUCDMCVFRIVYDY-JQWIXIFHSA-N 0 3 274.317 -2.053 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001380519670 888206476 /nfs/dbraw/zinc/20/64/76/888206476.db2.gz SIPMMNRBZFIMNB-LLVKDONJSA-N 0 3 284.320 -2.128 20 0 CAADHN CN(CC(=O)NC[C@]1(O)CCN(CC(N)=O)C1)C1CCC1 ZINC001380534107 888207570 /nfs/dbraw/zinc/20/75/70/888207570.db2.gz KXAZTZIJPOMEDY-CQSZACIVSA-N 0 3 298.387 -1.491 20 0 CAADHN C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001380546363 888207740 /nfs/dbraw/zinc/20/77/40/888207740.db2.gz OICVKZBJIMHDIO-CABZTGNLSA-N 0 3 283.332 -1.719 20 0 CAADHN C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001380546363 888207748 /nfs/dbraw/zinc/20/77/48/888207748.db2.gz OICVKZBJIMHDIO-CABZTGNLSA-N 0 3 283.332 -1.719 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001380549336 888208361 /nfs/dbraw/zinc/20/83/61/888208361.db2.gz HRIWVVLPJCJYFB-GFCCVEGCSA-N 0 3 298.347 -1.737 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001380546195 888208804 /nfs/dbraw/zinc/20/88/04/888208804.db2.gz GNXPFTYZKDNCIC-RISCZKNCSA-N 0 3 299.371 -1.193 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001380558196 888209201 /nfs/dbraw/zinc/20/92/01/888209201.db2.gz YLCYOHJKAZWBSV-CYBMUJFWSA-N 0 3 298.343 -1.061 20 0 CAADHN Cc1noc(CCC(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001380548830 888211517 /nfs/dbraw/zinc/21/15/17/888211517.db2.gz CSHVTAMRXFFBCF-CYBMUJFWSA-N 0 3 298.343 -1.144 20 0 CAADHN C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001380546331 888212016 /nfs/dbraw/zinc/21/20/16/888212016.db2.gz OICVKZBJIMHDIO-BXKDBHETSA-N 0 3 283.332 -1.719 20 0 CAADHN C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001380546331 888212030 /nfs/dbraw/zinc/21/20/30/888212030.db2.gz OICVKZBJIMHDIO-BXKDBHETSA-N 0 3 283.332 -1.719 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)CCNC(N)=O)C1 ZINC001380572314 888212550 /nfs/dbraw/zinc/21/25/50/888212550.db2.gz LNEOZTUWTCAJFE-LBPRGKRZSA-N 0 3 288.348 -1.756 20 0 CAADHN CC[C@H](C(=O)NCC1(O)CN([C@H]2CCNC2=O)C1)N(C)C ZINC001380639089 888222636 /nfs/dbraw/zinc/22/26/36/888222636.db2.gz AIWQQQOLURQLGA-MNOVXSKESA-N 0 3 298.387 -1.622 20 0 CAADHN C[C@@]1(C(=O)N(CCO)CCN[C@H]2CCNC2=O)CCOC1 ZINC001380764507 888227695 /nfs/dbraw/zinc/22/76/95/888227695.db2.gz NINGEPWJRGHZAA-SMDDNHRTSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(C[C@H]1CCOC1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001380761008 888228386 /nfs/dbraw/zinc/22/83/86/888228386.db2.gz CCFVGUQKLMUZEJ-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@@H]1CCCO1)C(N)=O ZINC001380761664 888228540 /nfs/dbraw/zinc/22/85/40/888228540.db2.gz DIADQZMOUMGNOD-UWVGGRQHSA-N 0 3 273.333 -1.550 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)C(F)F)C1=O ZINC001380755289 888228998 /nfs/dbraw/zinc/22/89/98/888228998.db2.gz ZHLAWPGAKUPYPW-MRVPVSSYSA-N 0 3 279.287 -1.107 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cn[nH]c1)C(=O)N(C)C ZINC001380764883 888229365 /nfs/dbraw/zinc/22/93/65/888229365.db2.gz LKKGORLRXVQTJN-SNVBAGLBSA-N 0 3 297.359 -1.090 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cn[nH]c1)C(=O)N(C)C ZINC001380764879 888229936 /nfs/dbraw/zinc/22/99/36/888229936.db2.gz LKKGORLRXVQTJN-JTQLQIEISA-N 0 3 297.359 -1.090 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001380852500 888231034 /nfs/dbraw/zinc/23/10/34/888231034.db2.gz LFTVBKPROCGIQF-RKDXNWHRSA-N 0 3 283.328 -1.091 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)cnn1 ZINC001380769598 888231288 /nfs/dbraw/zinc/23/12/88/888231288.db2.gz UPVZOIDMHQDRBI-SNVBAGLBSA-N 0 3 295.343 -1.317 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)cnn1 ZINC001380769594 888231323 /nfs/dbraw/zinc/23/13/23/888231323.db2.gz UPVZOIDMHQDRBI-JTQLQIEISA-N 0 3 295.343 -1.317 20 0 CAADHN Cc1ncc(CC(=O)N(CCO)CCN[C@@H](C)C(N)=O)o1 ZINC001380767401 888231598 /nfs/dbraw/zinc/23/15/98/888231598.db2.gz QIKYRLMVCIFYFL-VIFPVBQESA-N 0 3 298.343 -1.190 20 0 CAADHN COC(=O)[C@H]1C[C@@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001380852497 888231748 /nfs/dbraw/zinc/23/17/48/888231748.db2.gz LFTVBKPROCGIQF-IUCAKERBSA-N 0 3 283.328 -1.091 20 0 CAADHN CCOCC(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001380840342 888231775 /nfs/dbraw/zinc/23/17/75/888231775.db2.gz BGXCMNWDBTUKMG-UHFFFAOYSA-N 0 3 286.332 -1.154 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001380837979 888231860 /nfs/dbraw/zinc/23/18/60/888231860.db2.gz ITRMVZQTIBYJOF-NXEZZACHSA-N 0 3 284.360 -1.046 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1ccnnc1)C(N)=O ZINC001380768592 888232185 /nfs/dbraw/zinc/23/21/85/888232185.db2.gz YKSUVNJZKUJSQW-NSHDSACASA-N 0 3 295.343 -1.235 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cn(C)nn1)C(N)=O ZINC001380768901 888232246 /nfs/dbraw/zinc/23/22/46/888232246.db2.gz RQUJERZQJMFVRT-MRVPVSSYSA-N 0 3 284.320 -2.287 20 0 CAADHN Cn1nccc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001380766713 888232651 /nfs/dbraw/zinc/23/26/51/888232651.db2.gz PCGDKYSPBMNNMB-SNVBAGLBSA-N 0 3 295.343 -1.667 20 0 CAADHN Cn1nccc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001380766710 888233018 /nfs/dbraw/zinc/23/30/18/888233018.db2.gz PCGDKYSPBMNNMB-JTQLQIEISA-N 0 3 295.343 -1.667 20 0 CAADHN NC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2CCCO2)CCC1 ZINC001380845294 888233268 /nfs/dbraw/zinc/23/32/68/888233268.db2.gz XFGCXSDSSUFCAH-VIFPVBQESA-N 0 3 298.343 -1.011 20 0 CAADHN O=C(c1cnsn1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001380769351 888233319 /nfs/dbraw/zinc/23/33/19/888233319.db2.gz TVESUZIEAAELDX-MRVPVSSYSA-N 0 3 299.356 -1.549 20 0 CAADHN Cc1ncc(CC(=O)N(CCO)CCN[C@H](C)C(N)=O)o1 ZINC001380767400 888233665 /nfs/dbraw/zinc/23/36/65/888233665.db2.gz QIKYRLMVCIFYFL-SECBINFHSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cn1cncn1)C(N)=O ZINC001380770662 888233706 /nfs/dbraw/zinc/23/37/06/888233706.db2.gz GIGUNHCLRDQTGW-SECBINFHSA-N 0 3 284.320 -2.438 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001380852494 888233728 /nfs/dbraw/zinc/23/37/28/888233728.db2.gz LFTVBKPROCGIQF-DTWKUNHWSA-N 0 3 283.328 -1.091 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)Cn1ncnn1 ZINC001380769375 888233789 /nfs/dbraw/zinc/23/37/89/888233789.db2.gz WWYSNCOPNSNZEC-SECBINFHSA-N 0 3 299.335 -2.782 20 0 CAADHN CNC(=O)CNC1(CNC(=O)c2cnn(C)c2N)CCC1 ZINC001380856089 888233833 /nfs/dbraw/zinc/23/38/33/888233833.db2.gz IIAKWNBBJBCYQB-UHFFFAOYSA-N 0 3 294.359 -1.010 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001380905914 888234353 /nfs/dbraw/zinc/23/43/53/888234353.db2.gz WNBHORJKWSIIAJ-UWVGGRQHSA-N 0 3 271.317 -1.675 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)CCOC)CCO1 ZINC001380898391 888234541 /nfs/dbraw/zinc/23/45/41/888234541.db2.gz PRQWFCCMRFRLFE-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN NC(=O)CNC1(CNC(=O)CCN2CCOCC2)CCC1 ZINC001380882931 888234728 /nfs/dbraw/zinc/23/47/28/888234728.db2.gz XDDZAAWHSNGHKN-UHFFFAOYSA-N 0 3 298.387 -1.178 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cncnc2)CCO1)C(N)=O ZINC001380906586 888234938 /nfs/dbraw/zinc/23/49/38/888234938.db2.gz WWXBIAQMZCYAEK-KOLCDFICSA-N 0 3 293.327 -1.219 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)COCC2CC2)CCO1 ZINC001380904614 888235035 /nfs/dbraw/zinc/23/50/35/888235035.db2.gz PQPISABCXJTOTO-LBPRGKRZSA-N 0 3 299.371 -1.024 20 0 CAADHN CO[C@H](C(=O)N1CCO[C@H](CNCC(N)=O)C1)C1CC1 ZINC001380906581 888235168 /nfs/dbraw/zinc/23/51/68/888235168.db2.gz WWUSJAJPWDMXOF-PWSUYJOCSA-N 0 3 285.344 -1.286 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cncnc2)CCO1)C(N)=O ZINC001380906587 888235254 /nfs/dbraw/zinc/23/52/54/888235254.db2.gz WWXBIAQMZCYAEK-MWLCHTKSSA-N 0 3 293.327 -1.219 20 0 CAADHN CO[C@H](C(=O)N1CCO[C@@H](CNCC(N)=O)C1)C1CC1 ZINC001380906580 888235294 /nfs/dbraw/zinc/23/52/94/888235294.db2.gz WWUSJAJPWDMXOF-JQWIXIFHSA-N 0 3 285.344 -1.286 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001380898671 888236242 /nfs/dbraw/zinc/23/62/42/888236242.db2.gz AJKACBOKCBOKAB-WDEREUQCSA-N 0 3 285.344 -1.414 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001380898668 888235580 /nfs/dbraw/zinc/23/55/80/888235580.db2.gz AJKACBOKCBOKAB-MNOVXSKESA-N 0 3 285.344 -1.414 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)Cc2ccon2)CCO1)C(N)=O ZINC001380899676 888236013 /nfs/dbraw/zinc/23/60/13/888236013.db2.gz BJMZCFHXTLDPRL-MWLCHTKSSA-N 0 3 296.327 -1.092 20 0 CAADHN C[C@H](C(=O)N1CCO[C@H](CNCC(N)=O)C1)n1cccn1 ZINC001380905980 888236043 /nfs/dbraw/zinc/23/60/43/888236043.db2.gz XFCVXHOOXFTZMM-GHMZBOCLSA-N 0 3 295.343 -1.254 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1)C(N)=O ZINC001380911535 888236444 /nfs/dbraw/zinc/23/64/44/888236444.db2.gz GNWRWMNDGSYZBT-JGVFFNPUSA-N 0 3 297.319 -2.486 20 0 CAADHN NC(=O)Cn1cc(C(=O)NCC2(NCCF)CCC2)nn1 ZINC001380904260 888236486 /nfs/dbraw/zinc/23/64/86/888236486.db2.gz ZCBMTBXXLDBOOE-UHFFFAOYSA-N 0 3 298.322 -1.025 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cncnc2)CCO1)C(N)=O ZINC001380906588 888236701 /nfs/dbraw/zinc/23/67/01/888236701.db2.gz WWXBIAQMZCYAEK-ONGXEEELSA-N 0 3 293.327 -1.219 20 0 CAADHN Cc1n[nH]cc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001380922024 888236909 /nfs/dbraw/zinc/23/69/09/888236909.db2.gz XFFRAEMUWSNYRS-VIFPVBQESA-N 0 3 281.316 -1.366 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)Cn2cnnn2)CCO1)C(N)=O ZINC001380905501 888236966 /nfs/dbraw/zinc/23/69/66/888236966.db2.gz VAHXJMWQOQVJOH-IUCAKERBSA-N 0 3 297.319 -2.636 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCO1 ZINC001380908321 888236998 /nfs/dbraw/zinc/23/69/98/888236998.db2.gz JLHZYPCOUKOBKH-KWBADKCTSA-N 0 3 283.328 -1.675 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H](OC)C2CC2)CCO1 ZINC001380906600 888237030 /nfs/dbraw/zinc/23/70/30/888237030.db2.gz XDYUVEIZJGRZIT-DGCLKSJQSA-N 0 3 299.371 -1.026 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)Cn2cnnn2)CCO1)C(N)=O ZINC001380905500 888237312 /nfs/dbraw/zinc/23/73/12/888237312.db2.gz VAHXJMWQOQVJOH-DTWKUNHWSA-N 0 3 297.319 -2.636 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1)C(N)=O ZINC001380911518 888237600 /nfs/dbraw/zinc/23/76/00/888237600.db2.gz GNWRWMNDGSYZBT-HTQZYQBOSA-N 0 3 297.319 -2.486 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)Cn2cnnn2)CCO1)C(N)=O ZINC001380905499 888237655 /nfs/dbraw/zinc/23/76/55/888237655.db2.gz VAHXJMWQOQVJOH-BDAKNGLRSA-N 0 3 297.319 -2.636 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@@H](OC)C2CC2)CCO1 ZINC001380906599 888237795 /nfs/dbraw/zinc/23/77/95/888237795.db2.gz XDYUVEIZJGRZIT-AAEUAGOBSA-N 0 3 299.371 -1.026 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001380905915 888237826 /nfs/dbraw/zinc/23/78/26/888237826.db2.gz WNBHORJKWSIIAJ-VHSXEESVSA-N 0 3 271.317 -1.675 20 0 CAADHN C[C@@](O)(CC(=O)N1CCO[C@H](CNCC(N)=O)C1)C1CC1 ZINC001380906901 888238165 /nfs/dbraw/zinc/23/81/65/888238165.db2.gz XZALUUQXKGPULO-BXUZGUMPSA-N 0 3 299.371 -1.160 20 0 CAADHN Cn1ncc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)n1 ZINC001380916953 888238447 /nfs/dbraw/zinc/23/84/47/888238447.db2.gz PGJSGPWHXITAOC-MRVPVSSYSA-N 0 3 282.304 -2.269 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O ZINC001382060359 888275045 /nfs/dbraw/zinc/27/50/45/888275045.db2.gz WMRQQVYXILLGQO-DTWKUNHWSA-N 0 3 272.349 -1.225 20 0 CAADHN CNC(=O)[C@H](C)NCC1(O)CCN(C(=O)COC)CC1 ZINC001381137800 888242940 /nfs/dbraw/zinc/24/29/40/888242940.db2.gz PAWUNIKGIIZROD-JTQLQIEISA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)c2ccon2)CC1 ZINC001381139685 888244117 /nfs/dbraw/zinc/24/41/17/888244117.db2.gz KZMDLYNLFANCBK-UHFFFAOYSA-N 0 3 296.327 -1.023 20 0 CAADHN C[C@H]1CN(C(=O)Cn2cncn2)C[C@@H]1NCC(=O)N(C)C ZINC001381122356 888245625 /nfs/dbraw/zinc/24/56/25/888245625.db2.gz IFXRVMLDVFXEEE-QWRGUYRKSA-N 0 3 294.359 -1.197 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)C2=COCCO2)CC1 ZINC001381132156 888245860 /nfs/dbraw/zinc/24/58/60/888245860.db2.gz GXBOXCIPQITAKE-UHFFFAOYSA-N 0 3 299.327 -1.697 20 0 CAADHN CNC(=O)C[NH2+]CC1CC(NC(=O)CCc2nnc[n-]2)C1 ZINC001381321426 888247087 /nfs/dbraw/zinc/24/70/87/888247087.db2.gz NFIHXCHRQVOQKW-UHFFFAOYSA-N 0 3 294.359 -1.032 20 0 CAADHN COCCN1CCC(CO)(NC(=O)Cn2cncn2)CC1 ZINC001381269145 888247645 /nfs/dbraw/zinc/24/76/45/888247645.db2.gz UGYJYIVRTRQMPB-UHFFFAOYSA-N 0 3 297.359 -1.132 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001381268473 888247811 /nfs/dbraw/zinc/24/78/11/888247811.db2.gz ZOMBZPRZOLGTTF-ONGXEEELSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001381268471 888248858 /nfs/dbraw/zinc/24/88/58/888248858.db2.gz ZOMBZPRZOLGTTF-KOLCDFICSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001381378804 888250631 /nfs/dbraw/zinc/25/06/31/888250631.db2.gz NJCQCIZMXDPTDB-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](NCC(=O)NC1CC1)[C@@H](C)NC(=O)CCNC(N)=O ZINC001381454321 888250740 /nfs/dbraw/zinc/25/07/40/888250740.db2.gz SOYWQUCTGGZMHV-RKDXNWHRSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)CCNC(N)=O ZINC001381454309 888250996 /nfs/dbraw/zinc/25/09/96/888250996.db2.gz SOYWQUCTGGZMHV-BDAKNGLRSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1ccnnc1 ZINC001381437689 888251287 /nfs/dbraw/zinc/25/12/87/888251287.db2.gz QFMIXQKHBWEYFE-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1ccnnc1 ZINC001381437674 888251560 /nfs/dbraw/zinc/25/15/60/888251560.db2.gz QFMIXQKHBWEYFE-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)COC ZINC001381354061 888252324 /nfs/dbraw/zinc/25/23/24/888252324.db2.gz QLPOFXSXYKGEAX-YUMQZZPRSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CN(C)C(=O)C1CC1 ZINC001381391999 888252775 /nfs/dbraw/zinc/25/27/75/888252775.db2.gz XAFMCXARYDVTBD-IUCAKERBSA-N 0 3 284.360 -1.177 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)CNC(=O)OC ZINC001381490680 888252834 /nfs/dbraw/zinc/25/28/34/888252834.db2.gz NFTAUUXECUSGBD-NXEZZACHSA-N 0 3 291.348 -1.214 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1nnc[n-]1 ZINC001381354114 888253200 /nfs/dbraw/zinc/25/32/00/888253200.db2.gz BWVZKHJTPSNDLA-RKDXNWHRSA-N 0 3 282.348 -1.034 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)CNC(=O)OC ZINC001381490745 888253900 /nfs/dbraw/zinc/25/39/00/888253900.db2.gz NFTAUUXECUSGBD-UWVGGRQHSA-N 0 3 291.348 -1.214 20 0 CAADHN C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)NCC(N)=O ZINC001381391997 888253999 /nfs/dbraw/zinc/25/39/99/888253999.db2.gz XAFMCXARYDVTBD-DTWKUNHWSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CN(C)C(=O)C1CC1 ZINC001381392000 888254053 /nfs/dbraw/zinc/25/40/53/888254053.db2.gz XAFMCXARYDVTBD-RKDXNWHRSA-N 0 3 284.360 -1.177 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC ZINC001381363060 888254142 /nfs/dbraw/zinc/25/41/42/888254142.db2.gz GMGGIRLROFWMEH-IUCAKERBSA-N 0 3 272.349 -1.259 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)c1ncn(C)n1 ZINC001381516924 888257451 /nfs/dbraw/zinc/25/74/51/888257451.db2.gz PXPSQNYFMJRJEU-VHSXEESVSA-N 0 3 285.348 -1.128 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001381566430 888259054 /nfs/dbraw/zinc/25/90/54/888259054.db2.gz BWWNPTQBWVTIGL-UWVGGRQHSA-N 0 3 298.343 -1.173 20 0 CAADHN Cc1nn(CC(=O)NC[C@H](C)N(C)CCO)c(=O)n1C ZINC001381618342 888259111 /nfs/dbraw/zinc/25/91/11/888259111.db2.gz CXOMRFKKAZWKQJ-VIFPVBQESA-N 0 3 285.348 -1.681 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)Cn1cncn1 ZINC001381632717 888260632 /nfs/dbraw/zinc/26/06/32/888260632.db2.gz YDRGJIQSOYLQMZ-GHMZBOCLSA-N 0 3 285.348 -1.278 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)Cn1cncn1 ZINC001381632720 888263002 /nfs/dbraw/zinc/26/30/02/888263002.db2.gz YDRGJIQSOYLQMZ-WDEREUQCSA-N 0 3 285.348 -1.278 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)COC)CCO1 ZINC001381924918 888269778 /nfs/dbraw/zinc/26/97/78/888269778.db2.gz HQZGRNIGYAEHFD-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001381925408 888269963 /nfs/dbraw/zinc/26/99/63/888269963.db2.gz HSHISGLVLSFHPL-ZJUUUORDSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001381939476 888270026 /nfs/dbraw/zinc/27/00/26/888270026.db2.gz XYLROWYINUACQY-WCBMZHEXSA-N 0 3 296.331 -1.881 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001381939477 888271367 /nfs/dbraw/zinc/27/13/67/888271367.db2.gz XYLROWYINUACQY-WPRPVWTQSA-N 0 3 296.331 -1.881 20 0 CAADHN CNC(=O)NCC(=O)N1CCC(N(C)[C@H](C)C(N)=O)CC1 ZINC001381979489 888272811 /nfs/dbraw/zinc/27/28/11/888272811.db2.gz MUNBKDZLVSFODT-SECBINFHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)NCC(=O)NC1CC1 ZINC001382062670 888272864 /nfs/dbraw/zinc/27/28/64/888272864.db2.gz BWZYSWXNDMRWPP-WPRPVWTQSA-N 0 3 298.343 -1.190 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001382088011 888272896 /nfs/dbraw/zinc/27/28/96/888272896.db2.gz LSQHMVOSOXJAHJ-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn[nH]n1)NCCS(C)(=O)=O ZINC001382089137 888273939 /nfs/dbraw/zinc/27/39/39/888273939.db2.gz BAUYXJFGGBZGIZ-MRVPVSSYSA-N 0 3 289.361 -1.101 20 0 CAADHN COc1c[nH]c(C(=O)N(C)C[C@@H](C)NCC(N)=O)cc1=O ZINC001382105032 888274030 /nfs/dbraw/zinc/27/40/30/888274030.db2.gz VPANQNKUACLCOS-MRVPVSSYSA-N 0 3 296.327 -1.081 20 0 CAADHN C[C@H](CN(C)C(=O)c1nnn(C(C)(C)C)n1)NCC(N)=O ZINC001382073408 888274218 /nfs/dbraw/zinc/27/42/18/888274218.db2.gz VIPJDEQHCLIXAF-MRVPVSSYSA-N 0 3 297.363 -1.037 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001382102770 888274384 /nfs/dbraw/zinc/27/43/84/888274384.db2.gz QVIJOYCSUWZTHV-DTWKUNHWSA-N 0 3 298.347 -2.108 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001382069604 888275224 /nfs/dbraw/zinc/27/52/24/888275224.db2.gz KYJKZINBCBTEJR-YUMQZZPRSA-N 0 3 272.305 -1.723 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)NCC(=O)NC1CC1 ZINC001382062669 888276541 /nfs/dbraw/zinc/27/65/41/888276541.db2.gz BWZYSWXNDMRWPP-WCBMZHEXSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NCC(N)=O ZINC001382054409 888276643 /nfs/dbraw/zinc/27/66/43/888276643.db2.gz IVNJCDVMEFSTLM-BDAKNGLRSA-N 0 3 271.317 -1.139 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)nn1)N[C@@H]1CCNC1=O ZINC001382077166 888276788 /nfs/dbraw/zinc/27/67/88/888276788.db2.gz WDESBCZERUPWAM-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001382059797 888276851 /nfs/dbraw/zinc/27/68/51/888276851.db2.gz NJGWRXYBGBNUQH-QWRGUYRKSA-N 0 3 286.376 -1.501 20 0 CAADHN CN(C(=O)C[C@@H]1CCNC1=O)[C@H](CNCC(N)=O)C1CC1 ZINC001382022537 888277075 /nfs/dbraw/zinc/27/70/75/888277075.db2.gz XTPCEIZFXIIBMR-WDEREUQCSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001382091954 888277150 /nfs/dbraw/zinc/27/71/50/888277150.db2.gz AQESGHIKFRWKHH-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN O=C(CC1CC1)NC[C@H](CO)NCCN1CCNC1=O ZINC001382169431 888279155 /nfs/dbraw/zinc/27/91/55/888279155.db2.gz RSHYHKWWWBPESX-LLVKDONJSA-N 0 3 284.360 -1.122 20 0 CAADHN CC(F)(F)C(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001382170693 888279690 /nfs/dbraw/zinc/27/96/90/888279690.db2.gz IVDYWKGTZRHSGD-MRVPVSSYSA-N 0 3 294.302 -1.267 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)NCC(N)=O ZINC001382117392 888280276 /nfs/dbraw/zinc/28/02/76/888280276.db2.gz RRLLJVRHGRFAPL-ZANVPECISA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1cnnn1)N[C@H](C)C(N)=O ZINC001382141188 888280890 /nfs/dbraw/zinc/28/08/90/888280890.db2.gz TUOQGDGMKGBSAR-RKDXNWHRSA-N 0 3 283.336 -1.627 20 0 CAADHN CCC(=O)NC[C@@H](CO)NC[C@H](O)CN1CCCC1=O ZINC001382167382 888281046 /nfs/dbraw/zinc/28/10/46/888281046.db2.gz MHWGMKNQPIAVDX-QWRGUYRKSA-N 0 3 287.360 -1.554 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001382162344 888281588 /nfs/dbraw/zinc/28/15/88/888281588.db2.gz FPJBIEADGFAMEG-MRVPVSSYSA-N 0 3 279.362 -1.657 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)cn1)NCC(N)=O ZINC001382165515 888281840 /nfs/dbraw/zinc/28/18/40/888281840.db2.gz SGYFJDWYFABLEN-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)NCC(N)=O ZINC001382128321 888282030 /nfs/dbraw/zinc/28/20/30/888282030.db2.gz BQXUKFYLRGKYDB-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](CO)NCCn2cncn2)no1 ZINC001382173650 888285812 /nfs/dbraw/zinc/28/58/12/888285812.db2.gz LBUWIRWVENMJDL-JTQLQIEISA-N 0 3 294.315 -1.045 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](CO)NCCn2cncn2)on1 ZINC001382184182 888289010 /nfs/dbraw/zinc/28/90/10/888289010.db2.gz YYICJOPSRMMLQR-JTQLQIEISA-N 0 3 294.315 -1.045 20 0 CAADHN O=C(NC[C@@H](CO)[NH2+]CCO)c1cc(=O)[n-]c(C2CC2)n1 ZINC001382206027 888299687 /nfs/dbraw/zinc/29/96/87/888299687.db2.gz DSWWXZNWRVYZMM-VIFPVBQESA-N 0 3 296.327 -1.268 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](CO)NCC(=O)N(C)C ZINC001382226834 888308861 /nfs/dbraw/zinc/30/88/61/888308861.db2.gz XKRZCDUNDMBSGH-NSHDSACASA-N 0 3 297.359 -1.654 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC001382383765 888345689 /nfs/dbraw/zinc/34/56/89/888345689.db2.gz MJGODUHRVGNDJB-ZJUUUORDSA-N 0 3 275.349 -1.482 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@@H](CO)NCC(N)=O)C1 ZINC001382243292 888312233 /nfs/dbraw/zinc/31/22/33/888312233.db2.gz FSAHGMWZSFDLKV-UWVGGRQHSA-N 0 3 272.349 -2.120 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)c1cnon1 ZINC001382247037 888312348 /nfs/dbraw/zinc/31/23/48/888312348.db2.gz AVCPFGHRYGGUQY-MRVPVSSYSA-N 0 3 298.303 -2.225 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)c1cnon1 ZINC001382247041 888312843 /nfs/dbraw/zinc/31/28/43/888312843.db2.gz AVCPFGHRYGGUQY-QMMMGPOBSA-N 0 3 298.303 -2.225 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001382260878 888316956 /nfs/dbraw/zinc/31/69/56/888316956.db2.gz VIOMMTKZNDBKIT-ONGXEEELSA-N 0 3 297.359 -1.599 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001382260878 888316968 /nfs/dbraw/zinc/31/69/68/888316968.db2.gz VIOMMTKZNDBKIT-ONGXEEELSA-N 0 3 297.359 -1.599 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001382260877 888318775 /nfs/dbraw/zinc/31/87/75/888318775.db2.gz VIOMMTKZNDBKIT-MWLCHTKSSA-N 0 3 297.359 -1.599 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001382260877 888318786 /nfs/dbraw/zinc/31/87/86/888318786.db2.gz VIOMMTKZNDBKIT-MWLCHTKSSA-N 0 3 297.359 -1.599 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)NC)C1 ZINC001382289423 888327987 /nfs/dbraw/zinc/32/79/87/888327987.db2.gz DVPPPBVBJGXUGV-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C2CC2)[C@@H]1C ZINC001382280073 888328931 /nfs/dbraw/zinc/32/89/31/888328931.db2.gz HCVAMVTZTCDQES-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)C2CC2)[C@@H]1C ZINC001382280070 888329809 /nfs/dbraw/zinc/32/98/09/888329809.db2.gz HCVAMVTZTCDQES-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2cn(C)nn2)C1 ZINC001382311704 888331710 /nfs/dbraw/zinc/33/17/10/888331710.db2.gz YPDDUZPEXDLYOR-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H]1C[C@@H](NCC(=O)NC(N)=O)CN1C(=O)c1cc[nH]n1 ZINC001382310613 888332317 /nfs/dbraw/zinc/33/23/17/888332317.db2.gz YKODVDYHRHVXAH-HTQZYQBOSA-N 0 3 294.315 -1.203 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001382316241 888332721 /nfs/dbraw/zinc/33/27/21/888332721.db2.gz RCNVCHGCTMRGDA-YUMQZZPRSA-N 0 3 292.361 -2.400 20 0 CAADHN COCCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001382294847 888333701 /nfs/dbraw/zinc/33/37/01/888333701.db2.gz YFPGVMBPCLGILB-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@@H]1C[C@H](NCC(=O)NC(N)=O)CN1C(=O)c1cc[nH]n1 ZINC001382310623 888334003 /nfs/dbraw/zinc/33/40/03/888334003.db2.gz YKODVDYHRHVXAH-SFYZADRCSA-N 0 3 294.315 -1.203 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2cn(C)nn2)C1 ZINC001382311698 888334041 /nfs/dbraw/zinc/33/40/41/888334041.db2.gz YPDDUZPEXDLYOR-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1ccn[nH]1)N(C)C ZINC001382324902 888337276 /nfs/dbraw/zinc/33/72/76/888337276.db2.gz CLEUZCZTMCMNTJ-KOLCDFICSA-N 0 3 297.359 -1.043 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001382374854 888338975 /nfs/dbraw/zinc/33/89/75/888338975.db2.gz BIIFILVJGFGXRL-WPRPVWTQSA-N 0 3 288.348 -2.334 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)C1CCOCC1)C(N)=O ZINC001382373821 888339124 /nfs/dbraw/zinc/33/91/24/888339124.db2.gz IDHVIZPLAZKFPQ-GXSJLCMTSA-N 0 3 287.360 -1.304 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001382374851 888340050 /nfs/dbraw/zinc/34/00/50/888340050.db2.gz BIIFILVJGFGXRL-SCZZXKLOSA-N 0 3 288.348 -2.334 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001382391477 888341916 /nfs/dbraw/zinc/34/19/16/888341916.db2.gz REENSATXQVQFES-LLVKDONJSA-N 0 3 297.359 -1.572 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001382387481 888342024 /nfs/dbraw/zinc/34/20/24/888342024.db2.gz KWRKJTLEXQLZGH-WCBMZHEXSA-N 0 3 288.348 -2.253 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)cnn1 ZINC001382385441 888342236 /nfs/dbraw/zinc/34/22/36/888342236.db2.gz ADBNBMZZIVVKAY-JTQLQIEISA-N 0 3 281.316 -1.707 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CNCC(=O)NC[C@@H]1CCOC1 ZINC001382380052 888342389 /nfs/dbraw/zinc/34/23/89/888342389.db2.gz ZELJFEBUUJVITM-RYUDHWBXSA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)C(F)F ZINC001382378406 888342498 /nfs/dbraw/zinc/34/24/98/888342498.db2.gz VXHKMFAYHLMZGB-MRVPVSSYSA-N 0 3 279.287 -1.061 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@](C)(O)C1CC1 ZINC001382391984 888342802 /nfs/dbraw/zinc/34/28/02/888342802.db2.gz WKCWHZIVWYOIAM-GWCFXTLKSA-N 0 3 287.360 -1.568 20 0 CAADHN Cc1ocnc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001382390531 888342931 /nfs/dbraw/zinc/34/29/31/888342931.db2.gz QHDWEQPYOLVPOV-CBAPKCEASA-N 0 3 284.316 -1.121 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](O)CNCc1n[nH]c(C)n1 ZINC001382382921 888342975 /nfs/dbraw/zinc/34/29/75/888342975.db2.gz VQAONLUBICFLTR-SNVBAGLBSA-N 0 3 298.347 -1.842 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@H](C)C(=O)N(C)C ZINC001382383762 888343105 /nfs/dbraw/zinc/34/31/05/888343105.db2.gz MJGODUHRVGNDJB-NXEZZACHSA-N 0 3 275.349 -1.482 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001382383764 888343263 /nfs/dbraw/zinc/34/32/63/888343263.db2.gz MJGODUHRVGNDJB-VHSXEESVSA-N 0 3 275.349 -1.482 20 0 CAADHN CCCC(=O)N(C)C[C@@H](O)CNCC(=O)NC(=O)NC ZINC001382384320 888343422 /nfs/dbraw/zinc/34/34/22/888343422.db2.gz YQAGFMCOMYUHGT-VIFPVBQESA-N 0 3 288.348 -1.349 20 0 CAADHN CO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)NC1CC1 ZINC001382385319 888343443 /nfs/dbraw/zinc/34/34/43/888343443.db2.gz HLUZXYBCQXKJQJ-ONGXEEELSA-N 0 3 287.360 -1.291 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C1=CCOCC1 ZINC001382388071 888343871 /nfs/dbraw/zinc/34/38/71/888343871.db2.gz OHVWUHMHINCHCS-LLVKDONJSA-N 0 3 285.344 -1.512 20 0 CAADHN Cc1c(C(=O)N(C)C[C@H](O)CNCC(N)=O)cnn1C ZINC001382386643 888343954 /nfs/dbraw/zinc/34/39/54/888343954.db2.gz MEJBWSKNBDIWBZ-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN Cc1c(C(=O)N(C)C[C@@H](O)CNCC(N)=O)nnn1C ZINC001382387137 888344691 /nfs/dbraw/zinc/34/46/91/888344691.db2.gz OVABYWDECLHAJD-QMMMGPOBSA-N 0 3 284.320 -2.369 20 0 CAADHN CC(C)CC(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001382380762 888344723 /nfs/dbraw/zinc/34/47/23/888344723.db2.gz QGYKEDQZGZFOJJ-SECBINFHSA-N 0 3 288.348 -1.364 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)cnn1 ZINC001382385516 888344791 /nfs/dbraw/zinc/34/47/91/888344791.db2.gz ADBNBMZZIVVKAY-SNVBAGLBSA-N 0 3 281.316 -1.707 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccccn1 ZINC001382379700 888344802 /nfs/dbraw/zinc/34/48/02/888344802.db2.gz YGFCFSRHRXNALU-SNVBAGLBSA-N 0 3 280.328 -1.150 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNCC(=O)NC(C)(C)C ZINC001382382762 888344863 /nfs/dbraw/zinc/34/48/63/888344863.db2.gz LLXSTDQHXZGJQW-SNVBAGLBSA-N 0 3 289.376 -1.044 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC001382386885 888344879 /nfs/dbraw/zinc/34/48/79/888344879.db2.gz JLPKCCOCDJFTLF-MNOVXSKESA-N 0 3 297.359 -1.401 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1C[C@@H]1C(F)F ZINC001382391686 888344972 /nfs/dbraw/zinc/34/49/72/888344972.db2.gz KRQCDHTVGPPVTD-CSMHCCOUSA-N 0 3 279.287 -1.218 20 0 CAADHN CO[C@H](C)CC(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001382389445 888345082 /nfs/dbraw/zinc/34/50/82/888345082.db2.gz OBAFYPWYZLBCRH-MNOVXSKESA-N 0 3 289.376 -1.092 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001382391483 888345135 /nfs/dbraw/zinc/34/51/35/888345135.db2.gz REENSATXQVQFES-NSHDSACASA-N 0 3 297.359 -1.572 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001382383963 888345833 /nfs/dbraw/zinc/34/58/33/888345833.db2.gz AVODVBAERUWQBQ-SECBINFHSA-N 0 3 299.335 -2.830 20 0 CAADHN CC(=O)N(C)C[C@H](O)CNCC(=O)NC[C@H]1CCOC1 ZINC001382380053 888345963 /nfs/dbraw/zinc/34/59/63/888345963.db2.gz ZELJFEBUUJVITM-VXGBXAGGSA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccc[nH]1 ZINC001382380504 888346033 /nfs/dbraw/zinc/34/60/33/888346033.db2.gz AXWNRNZGKMORSC-UWVGGRQHSA-N 0 3 280.328 -1.074 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)COC(C)(C)C ZINC001382383354 888346061 /nfs/dbraw/zinc/34/60/61/888346061.db2.gz GPNOJUJKVVTBMM-SECBINFHSA-N 0 3 275.349 -1.304 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)c1cc[nH]n1 ZINC001382387262 888346154 /nfs/dbraw/zinc/34/61/54/888346154.db2.gz JWRUTODBDRNSAD-SNVBAGLBSA-N 0 3 295.343 -1.336 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1ccn(C)n1 ZINC001382410176 888346711 /nfs/dbraw/zinc/34/67/11/888346711.db2.gz YVYCUADWKCQFPL-NSHDSACASA-N 0 3 297.359 -1.753 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)SC ZINC001382393749 888347499 /nfs/dbraw/zinc/34/74/99/888347499.db2.gz YSALFQGZZRXTTD-IUCAKERBSA-N 0 3 277.390 -1.107 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cncn1C)C(N)=O ZINC001382402722 888347526 /nfs/dbraw/zinc/34/75/26/888347526.db2.gz QVQCLDWRVGBLNO-NXEZZACHSA-N 0 3 297.359 -1.294 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)CC(C)(C)O)C(N)=O ZINC001382393702 888347787 /nfs/dbraw/zinc/34/77/87/888347787.db2.gz OEUHPJLKOIEISN-RKDXNWHRSA-N 0 3 275.349 -1.570 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cncn1C)C(N)=O ZINC001382402723 888347835 /nfs/dbraw/zinc/34/78/35/888347835.db2.gz QVQCLDWRVGBLNO-UWVGGRQHSA-N 0 3 297.359 -1.294 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001382397782 888347942 /nfs/dbraw/zinc/34/79/42/888347942.db2.gz BBSPTAQAFUHVHC-SSDOTTSWSA-N 0 3 275.309 -3.190 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C1(COC)CC1 ZINC001382408589 888348080 /nfs/dbraw/zinc/34/80/80/888348080.db2.gz OVARTGFAZAKLBN-SNVBAGLBSA-N 0 3 287.360 -1.432 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001382395638 888348173 /nfs/dbraw/zinc/34/81/73/888348173.db2.gz FPWUJTFVTAFCRW-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001382411451 888348392 /nfs/dbraw/zinc/34/83/92/888348392.db2.gz CMQKPFSUKIDFQH-SECBINFHSA-N 0 3 297.315 -2.049 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001382404019 888348423 /nfs/dbraw/zinc/34/84/23/888348423.db2.gz VBWGKFKVXZIBJS-SECBINFHSA-N 0 3 283.332 -1.811 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)c1cnco1 ZINC001382409503 888348460 /nfs/dbraw/zinc/34/84/60/888348460.db2.gz IRDMNFIBCCXSLR-JTQLQIEISA-N 0 3 296.327 -1.024 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1)C(N)=O ZINC001382407164 888348882 /nfs/dbraw/zinc/34/88/82/888348882.db2.gz ALMOFPGPCNNKGK-MWLCHTKSSA-N 0 3 297.359 -1.755 20 0 CAADHN CC(C)n1nccc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001382402073 888348937 /nfs/dbraw/zinc/34/89/37/888348937.db2.gz RCZDQYXMIXFXKO-JTQLQIEISA-N 0 3 297.359 -1.028 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cc1ccn(C)n1)C(N)=O ZINC001382407161 888349701 /nfs/dbraw/zinc/34/97/01/888349701.db2.gz ALMOFPGPCNNKGK-KOLCDFICSA-N 0 3 297.359 -1.755 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)SC ZINC001382393746 888349865 /nfs/dbraw/zinc/34/98/65/888349865.db2.gz YSALFQGZZRXTTD-DTWKUNHWSA-N 0 3 277.390 -1.107 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CCC1(F)F ZINC001382414948 888350773 /nfs/dbraw/zinc/35/07/73/888350773.db2.gz JSBDDNFUSXIKAT-HTQZYQBOSA-N 0 3 279.287 -1.074 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)c(C)n1 ZINC001382422367 888351136 /nfs/dbraw/zinc/35/11/36/888351136.db2.gz CYIOXZDMECEMQJ-JTQLQIEISA-N 0 3 295.343 -1.399 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001382419517 888351774 /nfs/dbraw/zinc/35/17/74/888351774.db2.gz CZNDFPGRAGXEDE-LLVKDONJSA-N 0 3 297.359 -1.551 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C1(C)CCOCC1 ZINC001382424343 888351992 /nfs/dbraw/zinc/35/19/92/888351992.db2.gz HCWVDNRHTYHVHO-SNVBAGLBSA-N 0 3 287.360 -1.303 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001382419415 888352092 /nfs/dbraw/zinc/35/20/92/888352092.db2.gz QFHIKOSDRQNVIZ-SSDOTTSWSA-N 0 3 270.293 -2.379 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1cnco1 ZINC001382413690 888352181 /nfs/dbraw/zinc/35/21/81/888352181.db2.gz RTSFMIOVMCHEJO-ZJUUUORDSA-N 0 3 296.327 -1.072 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1cnco1 ZINC001382413683 888352282 /nfs/dbraw/zinc/35/22/82/888352282.db2.gz RTSFMIOVMCHEJO-NXEZZACHSA-N 0 3 296.327 -1.072 20 0 CAADHN Cc1noc(CCC(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001382417256 888352639 /nfs/dbraw/zinc/35/26/39/888352639.db2.gz ZYPOLDOXVVHXOH-VIFPVBQESA-N 0 3 299.331 -1.795 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CCC1(F)F ZINC001382414951 888353054 /nfs/dbraw/zinc/35/30/54/888353054.db2.gz JSBDDNFUSXIKAT-JGVFFNPUSA-N 0 3 279.287 -1.074 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)CC1(O)CCC1 ZINC001382412711 888353437 /nfs/dbraw/zinc/35/34/37/888353437.db2.gz OYCBZBBSJLQOEO-MNOVXSKESA-N 0 3 299.371 -1.411 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001382418785 888353694 /nfs/dbraw/zinc/35/36/94/888353694.db2.gz ORBFMCCXSIGTHJ-MRVPVSSYSA-N 0 3 299.331 -2.106 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001382424513 888353719 /nfs/dbraw/zinc/35/37/19/888353719.db2.gz HWOTVNLWGLQLEP-ZJUUUORDSA-N 0 3 295.343 -1.366 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001382414315 888353742 /nfs/dbraw/zinc/35/37/42/888353742.db2.gz NAROPWHWQWNBIM-ZETCQYMHSA-N 0 3 285.304 -2.367 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001382418786 888353979 /nfs/dbraw/zinc/35/39/79/888353979.db2.gz ORBFMCCXSIGTHJ-QMMMGPOBSA-N 0 3 299.331 -2.106 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001382430369 888354909 /nfs/dbraw/zinc/35/49/09/888354909.db2.gz ZNXVXOCKDSKKKG-SECBINFHSA-N 0 3 283.332 -1.893 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1ccc[nH]1)C(N)=O ZINC001382440032 888355380 /nfs/dbraw/zinc/35/53/80/888355380.db2.gz HRNOWQWGMIWJQA-MWLCHTKSSA-N 0 3 282.344 -1.160 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cc1ncc[nH]1)C(N)=O ZINC001382430363 888355425 /nfs/dbraw/zinc/35/54/25/888355425.db2.gz ZMDNELOEEDLMMK-IUCAKERBSA-N 0 3 283.332 -1.765 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1)C(N)=O ZINC001382430364 888355567 /nfs/dbraw/zinc/35/55/67/888355567.db2.gz ZMDNELOEEDLMMK-RKDXNWHRSA-N 0 3 283.332 -1.765 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nonc1C ZINC001382440660 888355672 /nfs/dbraw/zinc/35/56/72/888355672.db2.gz TXOYVWMFTQOOIY-SECBINFHSA-N 0 3 299.331 -1.463 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CC12CCOCC2 ZINC001382432737 888355970 /nfs/dbraw/zinc/35/59/70/888355970.db2.gz PQNHPNPJUGUAKR-WDEREUQCSA-N 0 3 299.371 -1.303 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CC12CCOCC2 ZINC001382432733 888356340 /nfs/dbraw/zinc/35/63/40/888356340.db2.gz PQNHPNPJUGUAKR-MNOVXSKESA-N 0 3 299.371 -1.303 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001382440045 888357316 /nfs/dbraw/zinc/35/73/16/888357316.db2.gz HTPDZKMRDJJHBT-NXEZZACHSA-N 0 3 297.359 -1.423 20 0 CAADHN Cc1conc1C(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001382435154 888357811 /nfs/dbraw/zinc/35/78/11/888357811.db2.gz QCDRCRWZANFPQZ-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN CN(C[C@@H](O)C[NH2+][C@H]1CCNC1=O)C(=O)c1nc[n-]n1 ZINC001382431812 888358362 /nfs/dbraw/zinc/35/83/62/888358362.db2.gz WASKDUADPNEATI-YUMQZZPRSA-N 0 3 282.304 -2.284 20 0 CAADHN CCn1ncc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)c1C ZINC001382431804 888358716 /nfs/dbraw/zinc/35/87/16/888358716.db2.gz WASGWNTZKMRTIP-JTQLQIEISA-N 0 3 297.359 -1.281 20 0 CAADHN C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001382466159 888361328 /nfs/dbraw/zinc/36/13/28/888361328.db2.gz VYGDPPJMKKDAQN-ZJUUUORDSA-N 0 3 298.343 -1.072 20 0 CAADHN C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001382466159 888361337 /nfs/dbraw/zinc/36/13/37/888361337.db2.gz VYGDPPJMKKDAQN-ZJUUUORDSA-N 0 3 298.343 -1.072 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001382466544 888361890 /nfs/dbraw/zinc/36/18/90/888361890.db2.gz SDTXLKMMUZVMDQ-SECBINFHSA-N 0 3 271.321 -1.828 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](O)CN(C)CCO)o1 ZINC001382462127 888363920 /nfs/dbraw/zinc/36/39/20/888363920.db2.gz LWVXYXYIWXAIDN-JTQLQIEISA-N 0 3 286.332 -1.336 20 0 CAADHN C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001382466154 888363968 /nfs/dbraw/zinc/36/39/68/888363968.db2.gz VYGDPPJMKKDAQN-VHSXEESVSA-N 0 3 298.343 -1.072 20 0 CAADHN C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001382466154 888363985 /nfs/dbraw/zinc/36/39/85/888363985.db2.gz VYGDPPJMKKDAQN-VHSXEESVSA-N 0 3 298.343 -1.072 20 0 CAADHN COc1cncc(C(=O)N(C)C[C@H](O)CN(C)CCO)n1 ZINC001382473724 888364252 /nfs/dbraw/zinc/36/42/52/888364252.db2.gz RVTZCPKYHMBGJI-SNVBAGLBSA-N 0 3 298.343 -1.158 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001382481849 888366260 /nfs/dbraw/zinc/36/62/60/888366260.db2.gz SEKJMABMGXPUAG-SECBINFHSA-N 0 3 272.305 -1.265 20 0 CAADHN Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CN(C)[C@H](C)C(N)=O ZINC001382479931 888367376 /nfs/dbraw/zinc/36/73/76/888367376.db2.gz WDTJWFYNOROPBW-RKDXNWHRSA-N 0 3 298.347 -1.648 20 0 CAADHN Cc1nn[nH]c1C(=O)N(C)C[C@H](O)CN(C)[C@@H](C)C(N)=O ZINC001382479922 888367562 /nfs/dbraw/zinc/36/75/62/888367562.db2.gz WDTJWFYNOROPBW-DTWKUNHWSA-N 0 3 298.347 -1.648 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001383875131 888399093 /nfs/dbraw/zinc/39/90/93/888399093.db2.gz LNDBHHLIYHZRGL-JTQLQIEISA-N 0 3 297.359 -1.043 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](CO)CNC(=O)c1ccn[nH]1 ZINC001383875132 888400093 /nfs/dbraw/zinc/40/00/93/888400093.db2.gz LNDBHHLIYHZRGL-SNVBAGLBSA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@@H](C(=O)N[C@H](CO)CNC(=O)c1ncc[nH]1)N(C)C ZINC001383916062 888404870 /nfs/dbraw/zinc/40/48/70/888404870.db2.gz XYENDJLBSLNSST-UWVGGRQHSA-N 0 3 297.359 -1.043 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)c1ncc[nH]1 ZINC001383912889 888404950 /nfs/dbraw/zinc/40/49/50/888404950.db2.gz MKUDWQPETJSDTH-JTQLQIEISA-N 0 3 297.359 -1.043 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](CO)CNC(=O)c1ncc[nH]1 ZINC001383912890 888405492 /nfs/dbraw/zinc/40/54/92/888405492.db2.gz MKUDWQPETJSDTH-SNVBAGLBSA-N 0 3 297.359 -1.043 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](CO)NC(=O)c1ncc[nH]1 ZINC001383934050 888408278 /nfs/dbraw/zinc/40/82/78/888408278.db2.gz XPXAOJZZVBRYJC-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN COCC(=O)N[C@H](CO)CNC(=O)CN(C)C(C)C ZINC001383947512 888408341 /nfs/dbraw/zinc/40/83/41/888408341.db2.gz ZHZRMCNMLYAMAK-JTQLQIEISA-N 0 3 275.349 -1.434 20 0 CAADHN COCC(=O)N[C@@H](CO)CNC(=O)CN(C)C(C)C ZINC001383947516 888408798 /nfs/dbraw/zinc/40/87/98/888408798.db2.gz ZHZRMCNMLYAMAK-SNVBAGLBSA-N 0 3 275.349 -1.434 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001385136436 888436526 /nfs/dbraw/zinc/43/65/26/888436526.db2.gz XSBNXBJFPLERDU-VXGBXAGGSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001385833630 888444915 /nfs/dbraw/zinc/44/49/15/888444915.db2.gz XSBNXBJFPLERDU-RYUDHWBXSA-N 0 3 296.371 -1.066 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C1 ZINC001386090656 888450339 /nfs/dbraw/zinc/45/03/39/888450339.db2.gz LASSNJKBIYAXJJ-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001386435540 888459253 /nfs/dbraw/zinc/45/92/53/888459253.db2.gz AEKJWNNMYLUODE-NXEZZACHSA-N 0 3 299.375 -1.371 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001386435570 888460175 /nfs/dbraw/zinc/46/01/75/888460175.db2.gz AEKJWNNMYLUODE-UWVGGRQHSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)CNC(N)=O ZINC001386495710 888461849 /nfs/dbraw/zinc/46/18/49/888461849.db2.gz LZBSGMXVWQVOKA-UWVGGRQHSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)CNC(N)=O ZINC001386495714 888462462 /nfs/dbraw/zinc/46/24/62/888462462.db2.gz LZBSGMXVWQVOKA-ZJUUUORDSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)CNC(N)=O ZINC001386495711 888463260 /nfs/dbraw/zinc/46/32/60/888463260.db2.gz LZBSGMXVWQVOKA-VHSXEESVSA-N 0 3 299.375 -1.383 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC001387686127 888487652 /nfs/dbraw/zinc/48/76/52/888487652.db2.gz JGORYGKLOSLXCO-UHFFFAOYSA-N 0 3 295.347 -1.658 20 0 CAADHN CC(=O)NCC(=O)NC1CN(C(=O)CN2CCC[C@H]2C)C1 ZINC001387691802 888488961 /nfs/dbraw/zinc/48/89/61/888488961.db2.gz POMQUEJXSBKJLC-SNVBAGLBSA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@@H](C(=O)N(C)CCNC(=O)Cn1cnnn1)N(C)C ZINC001387628316 888489273 /nfs/dbraw/zinc/48/92/73/888489273.db2.gz UMALVCBAAJRQSM-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN CN(CCNC(=O)Cn1ncnn1)C(=O)CN1CCCC1 ZINC001387760662 888492521 /nfs/dbraw/zinc/49/25/21/888492521.db2.gz ITYDPJFNYVDMDV-UHFFFAOYSA-N 0 3 295.347 -1.657 20 0 CAADHN CN(C)C1(C(=O)NC2CN(C(=O)CNC(N)=O)C2)CCC1 ZINC001387747899 888492997 /nfs/dbraw/zinc/49/29/97/888492997.db2.gz OJAYJJCSQUZKNW-UHFFFAOYSA-N 0 3 297.359 -1.534 20 0 CAADHN CC(C)N(C)CC(=O)NCC1CN(C(=O)CNC(N)=O)C1 ZINC001387885332 888497872 /nfs/dbraw/zinc/49/78/72/888497872.db2.gz HHVQENKMSJSCHL-UHFFFAOYSA-N 0 3 299.375 -1.431 20 0 CAADHN CCCN(C)CC(=O)NCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001387949225 888502338 /nfs/dbraw/zinc/50/23/38/888502338.db2.gz JJESZHIPXHPQOE-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN C[C@@H](C(=O)NC[C@H]1C[C@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001388720702 888508382 /nfs/dbraw/zinc/50/83/82/888508382.db2.gz IEQPFIAJEBEJHH-CIUDSAMLSA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@H](C(=O)NC[C@H]1C[C@@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001388680443 888509891 /nfs/dbraw/zinc/50/98/91/888509891.db2.gz IEQPFIAJEBEJHH-HLTSFMKQSA-N 0 3 291.373 -1.611 20 0 CAADHN CCO[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+]CC(N)=O ZINC001388761041 888511176 /nfs/dbraw/zinc/51/11/76/888511176.db2.gz LYBMDKXSXHELRK-PSASIEDQSA-N 0 3 296.331 -1.643 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001388776298 888512091 /nfs/dbraw/zinc/51/20/91/888512091.db2.gz IXZKWJFBTLMLEY-LLVKDONJSA-N 0 3 297.359 -1.294 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CNC(C)=O)[C@H]1C ZINC001388795638 888512551 /nfs/dbraw/zinc/51/25/51/888512551.db2.gz QLSQWAOMJOVIPT-USWWRNFRSA-N 0 3 287.360 -1.291 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001388797166 888513190 /nfs/dbraw/zinc/51/31/90/888513190.db2.gz NKQVLUFPDXCPLZ-NOOOWODRSA-N 0 3 299.371 -1.149 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@@H](N(CCO)CCO)C2)nn1 ZINC001388775339 888513474 /nfs/dbraw/zinc/51/34/74/888513474.db2.gz FMMPWJGXOXBDOQ-LLVKDONJSA-N 0 3 297.359 -1.294 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c1ccn[nH]1)N(C)C ZINC001389054730 888518869 /nfs/dbraw/zinc/51/88/69/888518869.db2.gz BDCHDYMUJOFSDF-GXSJLCMTSA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1ncc[nH]1)N(C)C ZINC001389084925 888525238 /nfs/dbraw/zinc/52/52/38/888525238.db2.gz ARKUVFGCTYLNSR-ZJUUUORDSA-N 0 3 297.359 -1.043 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](O)CNC(=O)c1cnon1 ZINC001389091069 888526668 /nfs/dbraw/zinc/52/66/68/888526668.db2.gz CJEKVMMYBBHIDD-VIFPVBQESA-N 0 3 299.331 -1.383 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ncc[nH]1)N(C)C ZINC001389084922 888527056 /nfs/dbraw/zinc/52/70/56/888527056.db2.gz ARKUVFGCTYLNSR-UWVGGRQHSA-N 0 3 297.359 -1.043 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)c2nnn(C)n2)C1 ZINC001389246108 888536682 /nfs/dbraw/zinc/53/66/82/888536682.db2.gz WKYFMVQLDYBYIF-UHFFFAOYSA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)NCC(=O)N(C)C ZINC001390398438 888581175 /nfs/dbraw/zinc/58/11/75/888581175.db2.gz OPUIWJLCFWUFPA-RKDXNWHRSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](CNC(=O)CS(=O)(=O)N(C)C)N[C@@H](C)C(N)=O ZINC001390521938 888586614 /nfs/dbraw/zinc/58/66/14/888586614.db2.gz JKWXOENUZSAGLM-SFYZADRCSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)C1CCN(CCO)CC1 ZINC001389331721 888540948 /nfs/dbraw/zinc/54/09/48/888540948.db2.gz IOXOJQCOTNSMTL-VIFPVBQESA-N 0 3 272.349 -1.042 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001389368982 888541107 /nfs/dbraw/zinc/54/11/07/888541107.db2.gz NJILMPBCUGFLBV-VIFPVBQESA-N 0 3 297.363 -1.214 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001389370059 888542038 /nfs/dbraw/zinc/54/20/38/888542038.db2.gz SDKMQLIMRHAVHS-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CC(=O)NCC(=O)N1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001389344629 888542920 /nfs/dbraw/zinc/54/29/20/888542920.db2.gz LCPNEESWJOICFR-UHFFFAOYSA-N 0 3 293.327 -1.276 20 0 CAADHN CC(=O)NCC(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001389459039 888548714 /nfs/dbraw/zinc/54/87/14/888548714.db2.gz PZTKQMGDHJEERK-JTQLQIEISA-N 0 3 296.371 -1.209 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001389485240 888548900 /nfs/dbraw/zinc/54/89/00/888548900.db2.gz PRQGHKSMSBMGMV-VHSXEESVSA-N 0 3 298.343 -1.063 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C1)N(C)C ZINC001389485648 888550433 /nfs/dbraw/zinc/55/04/33/888550433.db2.gz JHZISHGQHVIMMU-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN CC(=O)NCC(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001389459052 888550923 /nfs/dbraw/zinc/55/09/23/888550923.db2.gz PZTKQMGDHJEERK-SNVBAGLBSA-N 0 3 296.371 -1.209 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC001389506149 888552635 /nfs/dbraw/zinc/55/26/35/888552635.db2.gz NAGVOZFRUDOPNY-ZJUUUORDSA-N 0 3 288.348 -1.757 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](NCC(=O)NC1CC1)C1CC1 ZINC001389548077 888552663 /nfs/dbraw/zinc/55/26/63/888552663.db2.gz DPSOOIMNZMTXAH-GFCCVEGCSA-N 0 3 296.371 -1.115 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC001389506146 888553147 /nfs/dbraw/zinc/55/31/47/888553147.db2.gz NAGVOZFRUDOPNY-VHSXEESVSA-N 0 3 288.348 -1.757 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001389577215 888553198 /nfs/dbraw/zinc/55/31/98/888553198.db2.gz LOYVIFNKUHBYAV-RYUDHWBXSA-N 0 3 299.371 -1.026 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)C1CC1 ZINC001389653346 888556126 /nfs/dbraw/zinc/55/61/26/888556126.db2.gz XDKOYZPYYKPBTF-GHMZBOCLSA-N 0 3 296.371 -1.128 20 0 CAADHN CCN1C[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)CC1=O ZINC001389604163 888556396 /nfs/dbraw/zinc/55/63/96/888556396.db2.gz BADLGMBMKMCXGN-QWRGUYRKSA-N 0 3 296.371 -1.176 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C1CC1 ZINC001389653358 888556436 /nfs/dbraw/zinc/55/64/36/888556436.db2.gz XDKOYZPYYKPBTF-WDEREUQCSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)CCNC(N)=O)C1CC1)C(N)=O ZINC001389699152 888556844 /nfs/dbraw/zinc/55/68/44/888556844.db2.gz XKHXQAFWVKFPPB-APPZFPTMSA-N 0 3 285.348 -1.597 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CCn1ccnn1)C1CC1 ZINC001389595035 888557022 /nfs/dbraw/zinc/55/70/22/888557022.db2.gz UJOUXYFXYBHUFD-NSHDSACASA-N 0 3 294.359 -1.101 20 0 CAADHN CN(CC(=O)NC[C@@H](NCC(N)=O)C1CC1)C(=O)C1CC1 ZINC001389610807 888557476 /nfs/dbraw/zinc/55/74/76/888557476.db2.gz MNFOBLOZRVOCLC-LLVKDONJSA-N 0 3 296.371 -1.176 20 0 CAADHN CCN1C[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)CC1=O ZINC001389604169 888557515 /nfs/dbraw/zinc/55/75/15/888557515.db2.gz BADLGMBMKMCXGN-WDEREUQCSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)CCNC(N)=O)C1CC1)C(N)=O ZINC001389699172 888557781 /nfs/dbraw/zinc/55/77/81/888557781.db2.gz XKHXQAFWVKFPPB-VXNVDRBHSA-N 0 3 285.348 -1.597 20 0 CAADHN CN(CC(=O)NC[C@H](NCC(N)=O)C1CC1)C(=O)C1CC1 ZINC001389610811 888558152 /nfs/dbraw/zinc/55/81/52/888558152.db2.gz MNFOBLOZRVOCLC-NSHDSACASA-N 0 3 296.371 -1.176 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001389688047 888558320 /nfs/dbraw/zinc/55/83/20/888558320.db2.gz LMIFNXRVTBXTTP-VXGBXAGGSA-N 0 3 298.387 -1.323 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)C1 ZINC001389688037 888558444 /nfs/dbraw/zinc/55/84/44/888558444.db2.gz LMIFNXRVTBXTTP-NWDGAFQWSA-N 0 3 298.387 -1.323 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)[C@H](C)NC(N)=O)C2)n[nH]1 ZINC001389780875 888559429 /nfs/dbraw/zinc/55/94/29/888559429.db2.gz UYBPUNXSLBEZFC-CBAPKCEASA-N 0 3 295.347 -1.140 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC)C1 ZINC001389781402 888560233 /nfs/dbraw/zinc/56/02/33/888560233.db2.gz LAMLYMQLMFJAJK-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001389775620 888560293 /nfs/dbraw/zinc/56/02/93/888560293.db2.gz SLLMZZMIDZPDFU-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC(C)C)C1 ZINC001389769858 888560422 /nfs/dbraw/zinc/56/04/22/888560422.db2.gz IDKNOFQRJLLGGB-JTQLQIEISA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001389781399 888560495 /nfs/dbraw/zinc/56/04/95/888560495.db2.gz LAMLYMQLMFJAJK-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CO[C@H](C)C(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001389773259 888560871 /nfs/dbraw/zinc/56/08/71/888560871.db2.gz JCIWWEGXVJEFHW-HLTSFMKQSA-N 0 3 286.332 -1.205 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001389776289 888561199 /nfs/dbraw/zinc/56/11/99/888561199.db2.gz KLJRQSBKHZNMCP-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001389764135 888561724 /nfs/dbraw/zinc/56/17/24/888561724.db2.gz UNJBDPKGGIERRG-SCZZXKLOSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N1CC[C@H](NCCF)C1)C(N)=O ZINC001389806689 888563090 /nfs/dbraw/zinc/56/30/90/888563090.db2.gz ZYTRZGLWNQWLEX-UWVGGRQHSA-N 0 3 288.323 -1.474 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001389812579 888563135 /nfs/dbraw/zinc/56/31/35/888563135.db2.gz DJACCZWFSGTAEX-JTQLQIEISA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001389812253 888563232 /nfs/dbraw/zinc/56/32/32/888563232.db2.gz BBFZQIDMZZKQHE-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN NC(=O)CCCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001389822652 888563319 /nfs/dbraw/zinc/56/33/19/888563319.db2.gz AFMOTDVPIIRDEB-VHSXEESVSA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001389837611 888563447 /nfs/dbraw/zinc/56/34/47/888563447.db2.gz LLUJXIXUIJHGDG-ZKCHVHJHSA-N 0 3 277.346 -1.986 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001389818792 888563613 /nfs/dbraw/zinc/56/36/13/888563613.db2.gz QRJNAAZMCASXQH-JTQLQIEISA-N 0 3 280.332 -1.443 20 0 CAADHN CC(=O)NCC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001389837303 888563639 /nfs/dbraw/zinc/56/36/39/888563639.db2.gz QANGATPEDGNLBH-MGCOHNPYSA-N 0 3 280.332 -1.312 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001389816057 888563951 /nfs/dbraw/zinc/56/39/51/888563951.db2.gz NBRJPAGYWOHQHU-IUCAKERBSA-N 0 3 283.332 -1.876 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)n1 ZINC001389801699 888564502 /nfs/dbraw/zinc/56/45/02/888564502.db2.gz LBPQULGVVNRQNK-VIFPVBQESA-N 0 3 293.331 -1.707 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001390141677 888569358 /nfs/dbraw/zinc/56/93/58/888569358.db2.gz GFDJZERREBBAOC-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001390140583 888570001 /nfs/dbraw/zinc/57/00/01/888570001.db2.gz BNCYSZCKLPFRDF-VHSXEESVSA-N 0 3 282.344 -1.279 20 0 CAADHN CS(=O)(=O)CC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001390143443 888570865 /nfs/dbraw/zinc/57/08/65/888570865.db2.gz JUGLPRUPDIMGOG-SECBINFHSA-N 0 3 291.373 -1.513 20 0 CAADHN NC(=O)CN1CCC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001390057098 888571176 /nfs/dbraw/zinc/57/11/76/888571176.db2.gz DMCHVJOIRYLOEW-VIFPVBQESA-N 0 3 280.332 -1.339 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCOC ZINC001390276968 888571967 /nfs/dbraw/zinc/57/19/67/888571967.db2.gz NFLOQIQWTIJRKW-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CC(=O)NC[C@@H](C)NCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001390271986 888572341 /nfs/dbraw/zinc/57/23/41/888572341.db2.gz DAJLNTKYNXHQTC-KOLCDFICSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)NCC(=O)NC(C)C ZINC001390288504 888572648 /nfs/dbraw/zinc/57/26/48/888572648.db2.gz IIMGFOGCXPBSHC-SECBINFHSA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ccon1 ZINC001390308472 888572680 /nfs/dbraw/zinc/57/26/80/888572680.db2.gz WOAFCLDYANWLHL-ZETCQYMHSA-N 0 3 283.288 -1.162 20 0 CAADHN CC(=O)NC[C@@H](C)NCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001390271995 888572910 /nfs/dbraw/zinc/57/29/10/888572910.db2.gz DAJLNTKYNXHQTC-MWLCHTKSSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCOC ZINC001390276966 888573274 /nfs/dbraw/zinc/57/32/74/888573274.db2.gz NFLOQIQWTIJRKW-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](C)NCC(=O)N1CCOCC1 ZINC001390285639 888573618 /nfs/dbraw/zinc/57/36/18/888573618.db2.gz DKPZZQZVUYWLQP-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](NC[C@H]1CCCCN1C(=O)CCNC(N)=O)C(N)=O ZINC001390153141 888574087 /nfs/dbraw/zinc/57/40/87/888574087.db2.gz FICOFRFSKZAUTA-VHSXEESVSA-N 0 3 299.375 -1.111 20 0 CAADHN C[C@H](NC[C@@H]1CCCCN1C(=O)CCNC(N)=O)C(N)=O ZINC001390153137 888574178 /nfs/dbraw/zinc/57/41/78/888574178.db2.gz FICOFRFSKZAUTA-UWVGGRQHSA-N 0 3 299.375 -1.111 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)CCOC ZINC001390276964 888574243 /nfs/dbraw/zinc/57/42/43/888574243.db2.gz NFLOQIQWTIJRKW-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CNC(=O)COCC1CC1)NCC(=O)NC(N)=O ZINC001390297729 888574349 /nfs/dbraw/zinc/57/43/49/888574349.db2.gz DAQAZYNNIKAZBX-MRVPVSSYSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001390279896 888574589 /nfs/dbraw/zinc/57/45/89/888574589.db2.gz CNTMZDMPZBSSEU-ZETCQYMHSA-N 0 3 287.320 -2.246 20 0 CAADHN CCNC(=O)CCC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001390303492 888574900 /nfs/dbraw/zinc/57/49/00/888574900.db2.gz GIBDORQJVMZQEM-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CCNC(=O)CCC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001390303496 888575042 /nfs/dbraw/zinc/57/50/42/888575042.db2.gz GIBDORQJVMZQEM-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001390339846 888575909 /nfs/dbraw/zinc/57/59/09/888575909.db2.gz KRVGDUHBRLBNIZ-IUCAKERBSA-N 0 3 271.317 -1.220 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001390331562 888576079 /nfs/dbraw/zinc/57/60/79/888576079.db2.gz UCCHQBAKVGWIEP-ZJUUUORDSA-N 0 3 272.349 -1.843 20 0 CAADHN CCNC(=O)CCC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001390312184 888576312 /nfs/dbraw/zinc/57/63/12/888576312.db2.gz OLIRKSYBCVNHGU-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001390351296 888576352 /nfs/dbraw/zinc/57/63/52/888576352.db2.gz NZFWYZAQPPQABT-BDAKNGLRSA-N 0 3 284.360 -1.307 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001390389162 888576374 /nfs/dbraw/zinc/57/63/74/888576374.db2.gz AVFSQLGENVGNRJ-ZETCQYMHSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)NCC(=O)N1CCC1 ZINC001390342366 888576626 /nfs/dbraw/zinc/57/66/26/888576626.db2.gz OEPJACBGXUFCLP-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001390373750 888576925 /nfs/dbraw/zinc/57/69/25/888576925.db2.gz VGQGTRRAFDKIND-BDAKNGLRSA-N 0 3 285.348 -1.712 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001390351298 888578591 /nfs/dbraw/zinc/57/85/91/888578591.db2.gz NZFWYZAQPPQABT-IUCAKERBSA-N 0 3 284.360 -1.307 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001390331536 888577164 /nfs/dbraw/zinc/57/71/64/888577164.db2.gz UCCHQBAKVGWIEP-NXEZZACHSA-N 0 3 272.349 -1.843 20 0 CAADHN C[C@H](CNC(=O)c1ccn(C)c1)NCC(=O)NC(N)=O ZINC001390334893 888577751 /nfs/dbraw/zinc/57/77/51/888577751.db2.gz FVOVKMICJAPPQT-MRVPVSSYSA-N 0 3 281.316 -1.072 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)NCC(=O)N1CCC1 ZINC001390342369 888578108 /nfs/dbraw/zinc/57/81/08/888578108.db2.gz OEPJACBGXUFCLP-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CN(C)CCO1)NCC(=O)NC1CC1 ZINC001390332110 888578221 /nfs/dbraw/zinc/57/82/21/888578221.db2.gz VNRGTOQXXKMDLC-ZYHUDNBSSA-N 0 3 298.387 -1.310 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)N[C@@H]1CCN(C)C1=O ZINC001390333947 888578381 /nfs/dbraw/zinc/57/83/81/888578381.db2.gz YYQMWPZZWQFCFD-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)NCC(=O)N1CCC1 ZINC001390368827 888578510 /nfs/dbraw/zinc/57/85/10/888578510.db2.gz NIGGQRGPPBTYSF-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001390454030 888580051 /nfs/dbraw/zinc/58/00/51/888580051.db2.gz KELVCYHSLSFWNA-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001390454790 888580620 /nfs/dbraw/zinc/58/06/20/888580620.db2.gz NDODIYHQEUNBQN-IUCAKERBSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@H](CNC(=O)CN1CCCCC1=O)N[C@H](C)C(N)=O ZINC001390438034 888581330 /nfs/dbraw/zinc/58/13/30/888581330.db2.gz SRAZWBRYBNIEHI-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cc(OC)n(C)n1 ZINC001390447589 888582849 /nfs/dbraw/zinc/58/28/49/888582849.db2.gz ZJDWNNFMUPSBHA-MRVPVSSYSA-N 0 3 283.332 -1.117 20 0 CAADHN C[C@H](CNC(=O)CN1CCCCC1=O)N[C@@H](C)C(N)=O ZINC001390438040 888582879 /nfs/dbraw/zinc/58/28/79/888582879.db2.gz SRAZWBRYBNIEHI-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(C)c1nnnn1CC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001390470035 888584236 /nfs/dbraw/zinc/58/42/36/888584236.db2.gz AALPWBLAZXIGJI-RKDXNWHRSA-N 0 3 297.363 -1.235 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001390518133 888584256 /nfs/dbraw/zinc/58/42/56/888584256.db2.gz VBUAHDPILDBNEV-BDAKNGLRSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N1CCC1 ZINC001390463375 888584756 /nfs/dbraw/zinc/58/47/56/888584756.db2.gz IRNJYMZNDNVKMR-IUCAKERBSA-N 0 3 283.332 -2.006 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCc2nn[nH]c21)NCC(N)=O ZINC001390467871 888584337 /nfs/dbraw/zinc/58/43/37/888584337.db2.gz WFOCCPLOZTUSAJ-SFYZADRCSA-N 0 3 280.332 -1.196 20 0 CAADHN COC[C@H](OC)C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001390465174 888584517 /nfs/dbraw/zinc/58/45/17/888584517.db2.gz FXHPHPPZBBVOCR-UWVGGRQHSA-N 0 3 275.349 -1.170 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001390486138 888584535 /nfs/dbraw/zinc/58/45/35/888584535.db2.gz ULNAOEBGMBFFDD-QMMMGPOBSA-N 0 3 295.343 -1.042 20 0 CAADHN COC[C@@H](OC)C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001390465178 888584673 /nfs/dbraw/zinc/58/46/73/888584673.db2.gz FXHPHPPZBBVOCR-VHSXEESVSA-N 0 3 275.349 -1.170 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N1CCC1 ZINC001390463378 888584954 /nfs/dbraw/zinc/58/49/54/888584954.db2.gz IRNJYMZNDNVKMR-RKDXNWHRSA-N 0 3 283.332 -2.006 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)N1CCOCC1)NCC(N)=O ZINC001390497536 888585278 /nfs/dbraw/zinc/58/52/78/888585278.db2.gz XVROTAYDJFLHSB-SNVBAGLBSA-N 0 3 286.376 -1.323 20 0 CAADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)N[C@@H](C)C(N)=O ZINC001390517971 888585300 /nfs/dbraw/zinc/58/53/00/888585300.db2.gz UVZJAFOZMMSGPD-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCCS(C)(=O)=O ZINC001390473373 888585427 /nfs/dbraw/zinc/58/54/27/888585427.db2.gz DHJGPYWFHGOBSL-YIZRAAEISA-N 0 3 291.373 -1.753 20 0 CAADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N1CCCC1 ZINC001390471356 888585458 /nfs/dbraw/zinc/58/54/58/888585458.db2.gz ABJRCYZXZBHYOC-MXWKQRLJSA-N 0 3 296.371 -1.176 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001390460453 888585494 /nfs/dbraw/zinc/58/54/94/888585494.db2.gz JRCQYZTXHDPFRP-QMMMGPOBSA-N 0 3 281.316 -1.386 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001390485908 888585700 /nfs/dbraw/zinc/58/57/00/888585700.db2.gz ULNAOEBGMBFFDD-MRVPVSSYSA-N 0 3 295.343 -1.042 20 0 CAADHN CC(C)c1nnnn1CC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001390470033 888586239 /nfs/dbraw/zinc/58/62/39/888586239.db2.gz AALPWBLAZXIGJI-IUCAKERBSA-N 0 3 297.363 -1.235 20 0 CAADHN C[C@@H](CNC(=O)C(C)(C)N1CCOCC1)NCC(N)=O ZINC001390497533 888586366 /nfs/dbraw/zinc/58/63/66/888586366.db2.gz XVROTAYDJFLHSB-JTQLQIEISA-N 0 3 286.376 -1.323 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)NCC(=O)N1CCC1 ZINC001390490273 888586579 /nfs/dbraw/zinc/58/65/79/888586579.db2.gz CNCADHSLOZSAHQ-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001390466560 888586666 /nfs/dbraw/zinc/58/66/66/888586666.db2.gz JFOWVPUFYFQESC-YUMQZZPRSA-N 0 3 283.332 -1.032 20 0 CAADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCCS(C)(=O)=O ZINC001390473370 888586796 /nfs/dbraw/zinc/58/67/96/888586796.db2.gz DHJGPYWFHGOBSL-HLTSFMKQSA-N 0 3 291.373 -1.753 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001390549620 888588017 /nfs/dbraw/zinc/58/80/17/888588017.db2.gz SHPJZYNCJIZXPF-QWRGUYRKSA-N 0 3 284.360 -1.747 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001390536630 888588046 /nfs/dbraw/zinc/58/80/46/888588046.db2.gz ZAKFGZJXJIARKW-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN Cn1ccnc1COCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001390551842 888588637 /nfs/dbraw/zinc/58/86/37/888588637.db2.gz UCWHYUKYRKRKGM-JTQLQIEISA-N 0 3 295.343 -1.388 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001390554784 888588822 /nfs/dbraw/zinc/58/88/22/888588822.db2.gz AANURCARGOYNQN-VIFPVBQESA-N 0 3 293.327 -1.338 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001390544710 888588967 /nfs/dbraw/zinc/58/89/67/888588967.db2.gz GWAVCEQVTPLFOV-VIFPVBQESA-N 0 3 299.331 -2.150 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001390590168 888589171 /nfs/dbraw/zinc/58/91/71/888589171.db2.gz RVZLIJUPUVMMKY-VIFPVBQESA-N 0 3 280.332 -1.055 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001390570643 888589192 /nfs/dbraw/zinc/58/91/92/888589192.db2.gz ZCFOPLBYTIYGDC-YUMQZZPRSA-N 0 3 297.315 -2.350 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001390556830 888589259 /nfs/dbraw/zinc/58/92/59/888589259.db2.gz SHDVTJRGVJEHQT-DTWKUNHWSA-N 0 3 284.316 -1.627 20 0 CAADHN Cc1ocnc1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001390551335 888589451 /nfs/dbraw/zinc/58/94/51/888589451.db2.gz AICYLZBWTANGSY-QMMMGPOBSA-N 0 3 295.299 -1.018 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)NCC(N)=O ZINC001390533099 888589562 /nfs/dbraw/zinc/58/95/62/888589562.db2.gz OWIVTJBGJFEWTA-RQJHMYQMSA-N 0 3 278.334 -2.742 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001390568234 888590604 /nfs/dbraw/zinc/59/06/04/888590604.db2.gz MBDGXUVLXFSURC-QMMMGPOBSA-N 0 3 295.303 -2.337 20 0 CAADHN CN(CCCO)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001390828858 888599934 /nfs/dbraw/zinc/59/99/34/888599934.db2.gz ZYYKOWXKNHUWMO-UHFFFAOYSA-N 0 3 298.343 -1.872 20 0 CAADHN CN(CCCO)CCNC(=O)Cn1ncn(C)c1=O ZINC001390781126 888600304 /nfs/dbraw/zinc/60/03/04/888600304.db2.gz BNITUXGSALNXKT-UHFFFAOYSA-N 0 3 271.321 -1.988 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCN(C)C[C@@H](C)O ZINC001390763369 888601281 /nfs/dbraw/zinc/60/12/81/888601281.db2.gz XUXJCXWUDBOSOX-SECBINFHSA-N 0 3 281.378 -1.646 20 0 CAADHN CN(CCCO)CCNC(=O)CN1CCCNC1=O ZINC001390782702 888602253 /nfs/dbraw/zinc/60/22/53/888602253.db2.gz UOMLWPUSGZKKQZ-UHFFFAOYSA-N 0 3 272.349 -1.168 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)C(C)(C)NC(C)=O ZINC001390830168 888605589 /nfs/dbraw/zinc/60/55/89/888605589.db2.gz IJWQELVFFPRBRR-LLVKDONJSA-N 0 3 289.376 -1.044 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)c1cn(C)c(=O)n1C ZINC001390866636 888606557 /nfs/dbraw/zinc/60/65/57/888606557.db2.gz UIODPRDUSZLDLT-SECBINFHSA-N 0 3 270.333 -1.234 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001390851080 888607841 /nfs/dbraw/zinc/60/78/41/888607841.db2.gz DAQWLLUNALJABA-VIFPVBQESA-N 0 3 281.378 -1.693 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H]1CCCN1C[C@@H](C)O ZINC001391076853 888609775 /nfs/dbraw/zinc/60/97/75/888609775.db2.gz UISUCOPNIUOXQO-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@@H](C(N)=O)N1CCC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001391067157 888612219 /nfs/dbraw/zinc/61/22/19/888612219.db2.gz IOGXZXJJXJJMAE-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H]1CCCN1C[C@H](C)O ZINC001391076851 888612320 /nfs/dbraw/zinc/61/23/20/888612320.db2.gz UISUCOPNIUOXQO-VHSXEESVSA-N 0 3 293.389 -1.503 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@@H](C)C(=O)NC1CC1 ZINC001391202027 888614901 /nfs/dbraw/zinc/61/49/01/888614901.db2.gz RLGYXFFDXKNSJV-VIFPVBQESA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cnccn1)C(=O)NC(N)=O ZINC001391198905 888615699 /nfs/dbraw/zinc/61/56/99/888615699.db2.gz KLAVFCOZPMXMGZ-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1COC(=O)N1)C(=O)N(C)C ZINC001391204308 888615766 /nfs/dbraw/zinc/61/57/66/888615766.db2.gz DIINJSLESDFBKE-BDAKNGLRSA-N 0 3 286.332 -1.381 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)CN1CCCC1=O ZINC001391203393 888616872 /nfs/dbraw/zinc/61/68/72/888616872.db2.gz AFMVLYWKJUYNMW-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001391303567 888618592 /nfs/dbraw/zinc/61/85/92/888618592.db2.gz WPOGPNWTAVDWMS-UWVGGRQHSA-N 0 3 298.343 -1.331 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)CS(C)(=O)=O ZINC001391206000 888619374 /nfs/dbraw/zinc/61/93/74/888619374.db2.gz FHOZRXQGENETRD-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O)n1 ZINC001391210681 888619506 /nfs/dbraw/zinc/61/95/06/888619506.db2.gz FUJWLWMKYNRVPX-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001391317446 888619536 /nfs/dbraw/zinc/61/95/36/888619536.db2.gz OWFSNNVBJQVZIZ-UWVGGRQHSA-N 0 3 297.359 -1.758 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001391317438 888619679 /nfs/dbraw/zinc/61/96/79/888619679.db2.gz OWFSNNVBJQVZIZ-NXEZZACHSA-N 0 3 297.359 -1.758 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1COCCO1)C(=O)N(C)C ZINC001391207397 888619774 /nfs/dbraw/zinc/61/97/74/888619774.db2.gz IIKZEGWSPHIBEP-GHMZBOCLSA-N 0 3 287.360 -1.074 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CCN(C)C1=O ZINC001391215095 888619878 /nfs/dbraw/zinc/61/98/78/888619878.db2.gz WPMVLLCQPXYSSV-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCN1CCOCC1)C(N)=O ZINC001391214134 888619935 /nfs/dbraw/zinc/61/99/35/888619935.db2.gz OGFBZBLNPAMVKN-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN CCCC[C@@H](NCCN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001391231951 888620031 /nfs/dbraw/zinc/62/00/31/888620031.db2.gz XMNZHKZQSNDUID-SECBINFHSA-N 0 3 297.363 -1.084 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1c[nH]c(=O)n1C ZINC001391217648 888620157 /nfs/dbraw/zinc/62/01/57/888620157.db2.gz YQUNYZDEZSCTQU-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)c2nnn(C)n2)C1=O ZINC001391223489 888620329 /nfs/dbraw/zinc/62/03/29/888620329.db2.gz GPGMFMOVAJXGGM-SECBINFHSA-N 0 3 295.347 -1.508 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001391303576 888620394 /nfs/dbraw/zinc/62/03/94/888620394.db2.gz WPOGPNWTAVDWMS-ZJUUUORDSA-N 0 3 298.343 -1.331 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1COCCO1)C(=O)N(C)C ZINC001391207413 888620434 /nfs/dbraw/zinc/62/04/34/888620434.db2.gz IIKZEGWSPHIBEP-QWRGUYRKSA-N 0 3 287.360 -1.074 20 0 CAADHN CCCC[C@H](NCCN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001391231972 888620458 /nfs/dbraw/zinc/62/04/58/888620458.db2.gz XMNZHKZQSNDUID-VIFPVBQESA-N 0 3 297.363 -1.084 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001391209941 888620701 /nfs/dbraw/zinc/62/07/01/888620701.db2.gz OHXQHMLFOMZYGW-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NCC(=O)NCC[C@@H]1CCN([C@H](C)C(N)=O)C1 ZINC001391306830 888620795 /nfs/dbraw/zinc/62/07/95/888620795.db2.gz DGUWVXICQHXMAH-NXEZZACHSA-N 0 3 299.375 -1.383 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)CS(C)(=O)=O ZINC001391205997 888621075 /nfs/dbraw/zinc/62/10/75/888621075.db2.gz FHOZRXQGENETRD-SECBINFHSA-N 0 3 291.373 -1.642 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001391226052 888621152 /nfs/dbraw/zinc/62/11/52/888621152.db2.gz JUZOQGVESLLJSC-MRVPVSSYSA-N 0 3 281.316 -1.305 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCCC(=O)N1C)C(N)=O ZINC001391231156 888621393 /nfs/dbraw/zinc/62/13/93/888621393.db2.gz WATXHVBECJXJIV-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cc[nH]n1)C(=O)NC(N)=O ZINC001391219154 888621463 /nfs/dbraw/zinc/62/14/63/888621463.db2.gz WXKIMMHWDBSDNK-ZETCQYMHSA-N 0 3 282.304 -1.345 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001391356637 888623821 /nfs/dbraw/zinc/62/38/21/888623821.db2.gz IKLZMICJHOUZCR-JTQLQIEISA-N 0 3 298.343 -1.250 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001391471726 888630490 /nfs/dbraw/zinc/63/04/90/888630490.db2.gz MLLMWFPJKNSSEM-CYBMUJFWSA-N 0 3 299.371 -1.480 20 0 CAADHN COCC(=O)NCC1CN(C[C@H](O)Cn2cccn2)C1 ZINC001391468191 888632035 /nfs/dbraw/zinc/63/20/35/888632035.db2.gz RUFMSPVUJYALHU-LBPRGKRZSA-N 0 3 282.344 -1.062 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)Cc2nonc2C)C1 ZINC001391512232 888634301 /nfs/dbraw/zinc/63/43/01/888634301.db2.gz SKUPWCLHJMQBEC-NSHDSACASA-N 0 3 298.343 -1.024 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001391510645 888634323 /nfs/dbraw/zinc/63/43/23/888634323.db2.gz MWJYSJYDOBFIGB-VIFPVBQESA-N 0 3 298.343 -1.643 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCC1CN(C[C@@H](C)O)C1 ZINC001391498366 888635415 /nfs/dbraw/zinc/63/54/15/888635415.db2.gz VVXQARQLKITELA-MRVPVSSYSA-N 0 3 294.377 -2.531 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)CCNC(N)=O)C1 ZINC001391515891 888635563 /nfs/dbraw/zinc/63/55/63/888635563.db2.gz GDTOJOBPNLZWGR-SNVBAGLBSA-N 0 3 288.348 -1.900 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001391495047 888635980 /nfs/dbraw/zinc/63/59/80/888635980.db2.gz VCFGCUMAVIUAKV-RYUDHWBXSA-N 0 3 299.371 -1.338 20 0 CAADHN CCN1CC(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001391502072 888636132 /nfs/dbraw/zinc/63/61/32/888636132.db2.gz QMEQCRVWADNGST-UHFFFAOYSA-N 0 3 278.378 -1.550 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001391546535 888636596 /nfs/dbraw/zinc/63/65/96/888636596.db2.gz CMFXQKUTEDNHGQ-SRVKXCTJSA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)N[C@@H](C)C(=O)NC ZINC001391657956 888638403 /nfs/dbraw/zinc/63/84/03/888638403.db2.gz KXPNVSOOSHONLZ-IUCAKERBSA-N 0 3 283.336 -1.708 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001391575663 888638427 /nfs/dbraw/zinc/63/84/27/888638427.db2.gz BRGQWEUUTQMAJH-OUAUKWLOSA-N 0 3 285.344 -1.537 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)N[C@H](C)C(=O)NC ZINC001391657963 888638452 /nfs/dbraw/zinc/63/84/52/888638452.db2.gz KXPNVSOOSHONLZ-RKDXNWHRSA-N 0 3 283.336 -1.708 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](CC)CNC(=O)COC ZINC001391657949 888638970 /nfs/dbraw/zinc/63/89/70/888638970.db2.gz MGNYKSHYZUMGOH-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001391611080 888639872 /nfs/dbraw/zinc/63/98/72/888639872.db2.gz BWOTVDOEKOHGSV-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN CCN(C(=O)Cn1ncnn1)[C@H]1CCN(C[C@H](C)O)C1 ZINC001391643156 888640274 /nfs/dbraw/zinc/64/02/74/888640274.db2.gz NOYYXMYGAYBVTR-QWRGUYRKSA-N 0 3 282.348 -1.023 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001391569404 888640569 /nfs/dbraw/zinc/64/05/69/888640569.db2.gz VEADAIGCPUKYBI-MNOVXSKESA-N 0 3 273.333 -1.680 20 0 CAADHN CC[C@H](CNC(=O)Cn1cccn1)NCC(=O)NC(N)=O ZINC001391668331 888640904 /nfs/dbraw/zinc/64/09/04/888640904.db2.gz RHDXOYRVYLQTFT-SECBINFHSA-N 0 3 296.331 -1.438 20 0 CAADHN CC[C@@H](CNC(=O)CNC(C)=O)N[C@H]1CCN(C)C1=O ZINC001391660486 888641088 /nfs/dbraw/zinc/64/10/88/888641088.db2.gz OUKAUCRZCSIEQB-QWRGUYRKSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN(C(=O)Cn1ncnn1)[C@@H]1CCN(C[C@H](C)O)C1 ZINC001391643160 888641126 /nfs/dbraw/zinc/64/11/26/888641126.db2.gz NOYYXMYGAYBVTR-WDEREUQCSA-N 0 3 282.348 -1.023 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001391578575 888641185 /nfs/dbraw/zinc/64/11/85/888641185.db2.gz QLWGBIPQJRCTLA-UTUOFQBUSA-N 0 3 299.371 -1.338 20 0 CAADHN CC[C@@H](CNC(=O)CCOC)NCC(=O)NC(N)=O ZINC001391656653 888641273 /nfs/dbraw/zinc/64/12/73/888641273.db2.gz JYMHZEYXPACXQH-QMMMGPOBSA-N 0 3 274.321 -1.298 20 0 CAADHN CC[C@H](CNC(=O)CCOC)NCC(=O)NC(N)=O ZINC001391656647 888641298 /nfs/dbraw/zinc/64/12/98/888641298.db2.gz JYMHZEYXPACXQH-MRVPVSSYSA-N 0 3 274.321 -1.298 20 0 CAADHN CC[C@H](CNC(=O)CCNC(N)=O)NCC(=O)N(C)C ZINC001391740855 888642625 /nfs/dbraw/zinc/64/26/25/888642625.db2.gz IAKGULBEBBDOPC-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)N[C@@H]1CCN(C)C1=O ZINC001391693301 888642675 /nfs/dbraw/zinc/64/26/75/888642675.db2.gz ONMPPUTVFQQXMG-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CC(=O)NC1(CNCC(N)=O)CCCC1)NC(N)=O ZINC001391767687 888642725 /nfs/dbraw/zinc/64/27/25/888642725.db2.gz SUKZJLNZZLLXIG-VIFPVBQESA-N 0 3 299.375 -1.063 20 0 CAADHN CNC(=O)CNCC1(NC(=O)CNC(=O)NC)CCCC1 ZINC001391765788 888642747 /nfs/dbraw/zinc/64/27/47/888642747.db2.gz HTCBKTDVFJFBOQ-UHFFFAOYSA-N 0 3 299.375 -1.320 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)NCC(N)=O ZINC001391741847 888642872 /nfs/dbraw/zinc/64/28/72/888642872.db2.gz OXLSWVXPDBQICS-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](CNC(=O)C[C@@H]1CCNC1=O)NCC(=O)NC ZINC001391698262 888643009 /nfs/dbraw/zinc/64/30/09/888643009.db2.gz UBUROPYWPZTSFA-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)C1)NCC(N)=O ZINC001391703125 888643083 /nfs/dbraw/zinc/64/30/83/888643083.db2.gz NIODWTGPZWXVQZ-BDAKNGLRSA-N 0 3 291.373 -1.609 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001391783140 888643094 /nfs/dbraw/zinc/64/30/94/888643094.db2.gz HRORAADXBBCIFE-CYBMUJFWSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](CNC(=O)C[C@@H]1CCNC1=O)NCC(N)=O ZINC001391692671 888643106 /nfs/dbraw/zinc/64/31/06/888643106.db2.gz GJCLZNYLQUFHFB-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)NCC(=O)NC(C)C ZINC001391723920 888643287 /nfs/dbraw/zinc/64/32/87/888643287.db2.gz XHACAQOOQMGUBG-VIFPVBQESA-N 0 3 297.363 -1.167 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(=O)NC ZINC001391723526 888643307 /nfs/dbraw/zinc/64/33/07/888643307.db2.gz ZVBXQXWDUFPSDU-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN CC[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H](C)C(=O)NC ZINC001391734508 888643404 /nfs/dbraw/zinc/64/34/04/888643404.db2.gz JBPGKWZYEQHDMW-DTWKUNHWSA-N 0 3 282.348 -1.034 20 0 CAADHN CC[C@H](CNC(=O)c1ccnnc1)NCC(=O)NC(N)=O ZINC001391724453 888643468 /nfs/dbraw/zinc/64/34/68/888643468.db2.gz JHVKKTKLSOQNQR-SECBINFHSA-N 0 3 294.315 -1.231 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCc1n[nH]c(C)n1 ZINC001391714145 888643862 /nfs/dbraw/zinc/64/38/62/888643862.db2.gz AELLDOYNZSANID-RKDXNWHRSA-N 0 3 295.347 -1.221 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC)C1)NCC(N)=O ZINC001391682576 888644473 /nfs/dbraw/zinc/64/44/73/888644473.db2.gz KOEVENLMNRIBKV-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](CNC(=O)C[C@H]1CCNC1=O)NCC(=O)NC ZINC001391698269 888644745 /nfs/dbraw/zinc/64/47/45/888644745.db2.gz UBUROPYWPZTSFA-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H](C)C(=O)NC ZINC001391734503 888644859 /nfs/dbraw/zinc/64/48/59/888644859.db2.gz JBPGKWZYEQHDMW-BDAKNGLRSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@H](CNCc1ccn(C)n1)CNC(=O)Cn1ncnn1 ZINC001391887194 888646281 /nfs/dbraw/zinc/64/62/81/888646281.db2.gz LNGUOLJMGWGYGD-SNVBAGLBSA-N 0 3 292.347 -1.051 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCC1 ZINC001391849758 888646348 /nfs/dbraw/zinc/64/63/48/888646348.db2.gz HODYPARDQFKTRJ-GFCCVEGCSA-N 0 3 296.371 -1.065 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001391898273 888646687 /nfs/dbraw/zinc/64/66/87/888646687.db2.gz KXBOWEHNBFDPHC-QMMMGPOBSA-N 0 3 281.316 -1.116 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001391786203 888646928 /nfs/dbraw/zinc/64/69/28/888646928.db2.gz JWAFIRTZVXOAKB-NOZJJQNGSA-N 0 3 282.344 -1.375 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001391861378 888647394 /nfs/dbraw/zinc/64/73/94/888647394.db2.gz MEHAZSNHXQCVAS-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN CNC(=O)NCCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001391853594 888647463 /nfs/dbraw/zinc/64/74/63/888647463.db2.gz GHABFLKJTRCSOV-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CN1CCCC1=O ZINC001391851207 888647542 /nfs/dbraw/zinc/64/75/42/888647542.db2.gz ZNEPLXKOYBPDSW-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001391816252 888647568 /nfs/dbraw/zinc/64/75/68/888647568.db2.gz OLPKSXLIMHYMFA-TVQRCGJNSA-N 0 3 297.359 -1.712 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001391863126 888647650 /nfs/dbraw/zinc/64/76/50/888647650.db2.gz ZCNHQKPDLLLIOQ-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)c1nnn(C)n1 ZINC001391862505 888647834 /nfs/dbraw/zinc/64/78/34/888647834.db2.gz NVMYPMOKAXESJH-MRVPVSSYSA-N 0 3 281.320 -1.850 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001391863118 888647875 /nfs/dbraw/zinc/64/78/75/888647875.db2.gz ZCNHQKPDLLLIOQ-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN COCC(=O)NC[C@@H](O)CNC(=O)[C@H](C(C)C)N(C)C ZINC001391980587 888652193 /nfs/dbraw/zinc/65/21/93/888652193.db2.gz VZOGWBDLLHCBIV-PWSUYJOCSA-N 0 3 289.376 -1.188 20 0 CAADHN CN(C)C1(C(=O)NC[C@H]2CN(CC(N)=O)CCO2)CCC1 ZINC001391972161 888652763 /nfs/dbraw/zinc/65/27/63/888652763.db2.gz LKJVDWHWLAEJGV-NSHDSACASA-N 0 3 298.387 -1.227 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001392038894 888658960 /nfs/dbraw/zinc/65/89/60/888658960.db2.gz LQUYOZLSYOSRFG-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001392038988 888659292 /nfs/dbraw/zinc/65/92/92/888659292.db2.gz LQUYOZLSYOSRFG-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001392036686 888659355 /nfs/dbraw/zinc/65/93/55/888659355.db2.gz IMQSQSSFZDNVBC-RKDXNWHRSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CN1CCCC1=O ZINC001392038675 888660259 /nfs/dbraw/zinc/66/02/59/888660259.db2.gz KCSZURUDSDYYTF-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001392036671 888660306 /nfs/dbraw/zinc/66/03/06/888660306.db2.gz IMQSQSSFZDNVBC-DTWKUNHWSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001392070617 888661773 /nfs/dbraw/zinc/66/17/73/888661773.db2.gz ATHUSBSKEGUZEC-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCn1cncn1 ZINC001392044988 888662279 /nfs/dbraw/zinc/66/22/79/888662279.db2.gz NPEDMZICAUJMHV-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001392087009 888662623 /nfs/dbraw/zinc/66/26/23/888662623.db2.gz FUFQEWGMVZYVBV-SFYZADRCSA-N 0 3 283.336 -1.605 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)Cn1ncnn1 ZINC001392056200 888662792 /nfs/dbraw/zinc/66/27/92/888662792.db2.gz FJEOWNQHYDUOJE-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@H](C)CN[C@H](C)C(N)=O)C1 ZINC001392054335 888662830 /nfs/dbraw/zinc/66/28/30/888662830.db2.gz WYYXPRQUOMSBIZ-RKDXNWHRSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCn1cncn1 ZINC001392051297 888662941 /nfs/dbraw/zinc/66/29/41/888662941.db2.gz YARNXCDNTNCGMT-ZJUUUORDSA-N 0 3 282.348 -1.022 20 0 CAADHN C[C@@H](CNCC(=O)N1CCNC(=O)C1)N(C)C(=O)C1CC1 ZINC001392044816 888663003 /nfs/dbraw/zinc/66/30/03/888663003.db2.gz WBZACVPSYHMPMC-JTQLQIEISA-N 0 3 296.371 -1.209 20 0 CAADHN CCN1C[C@H](C(=O)N(C)[C@@H](C)CNCC(N)=O)CC1=O ZINC001392078201 888663295 /nfs/dbraw/zinc/66/32/95/888663295.db2.gz UNSOYQFQMYGWNK-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001392083164 888663498 /nfs/dbraw/zinc/66/34/98/888663498.db2.gz HHFBUADPKBXCEH-SSDOTTSWSA-N 0 3 282.300 -1.086 20 0 CAADHN CC[C@@H](NC[C@H](C)N(C)C(=O)CCNC(N)=O)C(N)=O ZINC001392121892 888664807 /nfs/dbraw/zinc/66/48/07/888664807.db2.gz AAQMCPDOMQKKEV-DTWKUNHWSA-N 0 3 287.364 -1.255 20 0 CAADHN CC[C@H](NC[C@H](C)N(C)C(=O)CCNC(N)=O)C(N)=O ZINC001392121894 888665544 /nfs/dbraw/zinc/66/55/44/888665544.db2.gz AAQMCPDOMQKKEV-IUCAKERBSA-N 0 3 287.364 -1.255 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cnon1)N(C)C ZINC001392126226 888666012 /nfs/dbraw/zinc/66/60/12/888666012.db2.gz FHUFSXHQHBOIRQ-WCBMZHEXSA-N 0 3 299.331 -1.383 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001392092463 888666098 /nfs/dbraw/zinc/66/60/98/888666098.db2.gz ZXTUTOFAHDRXPO-UWVGGRQHSA-N 0 3 299.375 -1.301 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001392137394 888666121 /nfs/dbraw/zinc/66/61/21/888666121.db2.gz JMRWTDRTSJBGSO-DTWKUNHWSA-N 0 3 297.359 -1.352 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001392092465 888666496 /nfs/dbraw/zinc/66/64/96/888666496.db2.gz ZXTUTOFAHDRXPO-ZJUUUORDSA-N 0 3 299.375 -1.301 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCc1cn(C)nn1 ZINC001392146206 888667038 /nfs/dbraw/zinc/66/70/38/888667038.db2.gz XIUGZZXYTCGZMQ-SECBINFHSA-N 0 3 282.348 -1.331 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001392094646 888667188 /nfs/dbraw/zinc/66/71/88/888667188.db2.gz XUIMXJQVDWZOHA-RKDXNWHRSA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001392092464 888667347 /nfs/dbraw/zinc/66/73/47/888667347.db2.gz ZXTUTOFAHDRXPO-VHSXEESVSA-N 0 3 299.375 -1.301 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1COC(=O)N1)C(C)C ZINC001392211741 888668917 /nfs/dbraw/zinc/66/89/17/888668917.db2.gz PXBLVHHLQHOEFR-RKDXNWHRSA-N 0 3 286.332 -1.429 20 0 CAADHN CC(C)[C@H](CNC(=O)C[C@H]1CCNC1=O)NCC(N)=O ZINC001392226578 888669438 /nfs/dbraw/zinc/66/94/38/888669438.db2.gz ANINKNLQJKFPCR-ZJUUUORDSA-N 0 3 284.360 -1.272 20 0 CAADHN CC(C)[C@@H](CNC(=O)CN1CCCC1=O)NCC(N)=O ZINC001392209059 888669505 /nfs/dbraw/zinc/66/95/05/888669505.db2.gz WCKUDOAMVAPSIR-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1COC(=O)N1)C(C)C ZINC001392211738 888670246 /nfs/dbraw/zinc/67/02/46/888670246.db2.gz PXBLVHHLQHOEFR-BDAKNGLRSA-N 0 3 286.332 -1.429 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001392271887 888670060 /nfs/dbraw/zinc/67/00/60/888670060.db2.gz IAJLURPMRNGFGH-ZJUUUORDSA-N 0 3 289.332 -1.508 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1COC(=O)N1)C(C)C ZINC001392211739 888670820 /nfs/dbraw/zinc/67/08/20/888670820.db2.gz PXBLVHHLQHOEFR-DTWKUNHWSA-N 0 3 286.332 -1.429 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)Cc1nnc[nH]1 ZINC001392319051 888672246 /nfs/dbraw/zinc/67/22/46/888672246.db2.gz IAPKUHBMCXLPRI-JTQLQIEISA-N 0 3 285.348 -1.255 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001392298957 888672621 /nfs/dbraw/zinc/67/26/21/888672621.db2.gz BARXTAHEKWHBOF-NXEZZACHSA-N 0 3 272.349 -1.219 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)NC[C@H]1CCOC1 ZINC001392340062 888672749 /nfs/dbraw/zinc/67/27/49/888672749.db2.gz IEDRIFKQWBWQSS-GHMZBOCLSA-N 0 3 273.333 -1.774 20 0 CAADHN CN(CCCO)CCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001392301319 888673228 /nfs/dbraw/zinc/67/32/28/888673228.db2.gz SQIRTWCGQPSFQM-SNVBAGLBSA-N 0 3 272.349 -1.217 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)NC[C@H]1CCOC1 ZINC001392340064 888673518 /nfs/dbraw/zinc/67/35/18/888673518.db2.gz IEDRIFKQWBWQSS-MNOVXSKESA-N 0 3 273.333 -1.774 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnccn1)NC1CC1 ZINC001392336749 888673663 /nfs/dbraw/zinc/67/36/63/888673663.db2.gz BSJKEOOHTLTVLW-JTQLQIEISA-N 0 3 293.327 -1.565 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnccn1)NC1CC1 ZINC001392336751 888673982 /nfs/dbraw/zinc/67/39/82/888673982.db2.gz BSJKEOOHTLTVLW-SNVBAGLBSA-N 0 3 293.327 -1.565 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001392319716 888674123 /nfs/dbraw/zinc/67/41/23/888674123.db2.gz RHYWQCSRLVZRSF-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CN(CCO)CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001392281707 888674490 /nfs/dbraw/zinc/67/44/90/888674490.db2.gz YZKXOPWTGNUYNL-UHFFFAOYSA-N 0 3 284.320 -2.241 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCc1cncn1C ZINC001392353342 888676100 /nfs/dbraw/zinc/67/61/00/888676100.db2.gz RHCSCDVKZSDHRJ-CABZTGNLSA-N 0 3 297.359 -1.489 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2cccnc2)C1=O ZINC001392343781 888676036 /nfs/dbraw/zinc/67/60/36/888676036.db2.gz RQFHOJLACBZLJU-NWDGAFQWSA-N 0 3 292.339 -1.007 20 0 CAADHN COCCC(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001392345576 888676149 /nfs/dbraw/zinc/67/61/49/888676149.db2.gz VUUCYVPRBROVHY-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001392344218 888676400 /nfs/dbraw/zinc/67/64/00/888676400.db2.gz FVCRIXJRWWSCHO-MRVPVSSYSA-N 0 3 297.315 -2.049 20 0 CAADHN CN1CCC[C@H](NC[C@H](O)CNC(=O)c2ccon2)C1=O ZINC001392352338 888676806 /nfs/dbraw/zinc/67/68/06/888676806.db2.gz BRDVDVYHQMXLAS-ONGXEEELSA-N 0 3 296.327 -1.024 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccon1)C(N)=O ZINC001392353283 888677056 /nfs/dbraw/zinc/67/70/56/888677056.db2.gz FLXQRBUHLSFTPE-JGVFFNPUSA-N 0 3 270.289 -1.381 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)C1CCCC1 ZINC001392341765 888677423 /nfs/dbraw/zinc/67/74/23/888677423.db2.gz MTJNDWZKLHVFKH-VIFPVBQESA-N 0 3 286.332 -1.562 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C1CCC1 ZINC001392343165 888677278 /nfs/dbraw/zinc/67/72/78/888677278.db2.gz QBEUKUXQDWVHRA-VIFPVBQESA-N 0 3 286.332 -1.691 20 0 CAADHN CCC(=O)NC[C@H](O)CNCC(=O)N1CCOCC1 ZINC001392345726 888678270 /nfs/dbraw/zinc/67/82/70/888678270.db2.gz WFGZHORESWDWSL-SNVBAGLBSA-N 0 3 273.333 -1.678 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCc1cn(C)nc1C ZINC001392341991 888678319 /nfs/dbraw/zinc/67/83/19/888678319.db2.gz MKDLMIDOHZWORK-NSHDSACASA-N 0 3 270.333 -1.058 20 0 CAADHN CCC(CC)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001392351187 888678357 /nfs/dbraw/zinc/67/83/57/888678357.db2.gz SCPRLMKRWXBRFD-SECBINFHSA-N 0 3 288.348 -1.316 20 0 CAADHN CN1CCC[C@H](NC[C@@H](O)CNC(=O)c2ccon2)C1=O ZINC001392352332 888678385 /nfs/dbraw/zinc/67/83/85/888678385.db2.gz BRDVDVYHQMXLAS-KOLCDFICSA-N 0 3 296.327 -1.024 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CN1CCCC1=O)C(N)=O ZINC001392356681 888679715 /nfs/dbraw/zinc/67/97/15/888679715.db2.gz ZMCPOKIVKRKEJS-IUCAKERBSA-N 0 3 286.332 -2.451 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cn[nH]c1)NC1CC1 ZINC001392353538 888679859 /nfs/dbraw/zinc/67/98/59/888679859.db2.gz GNXYWDKJYZPKBX-SNVBAGLBSA-N 0 3 281.316 -1.631 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001392353866 888679918 /nfs/dbraw/zinc/67/99/18/888679918.db2.gz OPLGALXUCNCJFG-LLVKDONJSA-N 0 3 297.359 -1.526 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001392353355 888680375 /nfs/dbraw/zinc/68/03/75/888680375.db2.gz RIEHNXXMLUIPQH-GMSGAONNSA-N 0 3 298.347 -1.796 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](O)CNCc1cncn1C ZINC001392356747 888680475 /nfs/dbraw/zinc/68/04/75/888680475.db2.gz PLHWKCZBHWDETG-SNVBAGLBSA-N 0 3 299.331 -1.657 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n(C)n1 ZINC001392358724 888680669 /nfs/dbraw/zinc/68/06/69/888680669.db2.gz MCZJRCJAJPYBQI-RKDXNWHRSA-N 0 3 283.332 -1.717 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cn[nH]c1)NC1CC1 ZINC001392353533 888680687 /nfs/dbraw/zinc/68/06/87/888680687.db2.gz GNXYWDKJYZPKBX-JTQLQIEISA-N 0 3 281.316 -1.631 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001392358292 888680725 /nfs/dbraw/zinc/68/07/25/888680725.db2.gz YWTZCKCYSWQKQW-SECBINFHSA-N 0 3 297.319 -3.028 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n(C)n1 ZINC001392358722 888680822 /nfs/dbraw/zinc/68/08/22/888680822.db2.gz MCZJRCJAJPYBQI-IUCAKERBSA-N 0 3 283.332 -1.717 20 0 CAADHN O=C(CC(F)(F)F)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392355824 888680854 /nfs/dbraw/zinc/68/08/54/888680854.db2.gz FOAACXBNKZFHHZ-RQJHMYQMSA-N 0 3 283.250 -1.106 20 0 CAADHN Cc1nnc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCN2C)[nH]1 ZINC001392360584 888680982 /nfs/dbraw/zinc/68/09/82/888680982.db2.gz FHDIFPMSYXDXMQ-MNOVXSKESA-N 0 3 296.375 -1.226 20 0 CAADHN CC[C@H](F)CNC[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001392360332 888681014 /nfs/dbraw/zinc/68/10/14/888681014.db2.gz OEOPLKDAKCHSDC-DTWKUNHWSA-N 0 3 284.353 -1.154 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccnn1C ZINC001392357580 888681035 /nfs/dbraw/zinc/68/10/35/888681035.db2.gz KKOWGUUDTXSPNL-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001392353358 888681114 /nfs/dbraw/zinc/68/11/14/888681114.db2.gz RIEHNXXMLUIPQH-XVKPBYJWSA-N 0 3 298.347 -1.796 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CNC(=O)OC ZINC001392354424 888681303 /nfs/dbraw/zinc/68/13/03/888681303.db2.gz HXNOFRMMOWTGMS-ZETCQYMHSA-N 0 3 276.293 -2.845 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)[nH]n1 ZINC001392355623 888681355 /nfs/dbraw/zinc/68/13/55/888681355.db2.gz LPAVIMMIXHQIEK-UWVGGRQHSA-N 0 3 295.343 -1.371 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccc[nH]1)N1CCC1 ZINC001392355628 888681401 /nfs/dbraw/zinc/68/14/01/888681401.db2.gz RGYZIGGYKUGBLX-JTQLQIEISA-N 0 3 280.328 -1.073 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001392356729 888681468 /nfs/dbraw/zinc/68/14/68/888681468.db2.gz PIYFIVXIGGDUKT-SECBINFHSA-N 0 3 283.332 -1.465 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001392353357 888681536 /nfs/dbraw/zinc/68/15/36/888681536.db2.gz RIEHNXXMLUIPQH-XCBNKYQSSA-N 0 3 298.347 -1.796 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCc1cncn1C ZINC001392353344 888681544 /nfs/dbraw/zinc/68/15/44/888681544.db2.gz RHCSCDVKZSDHRJ-SKDRFNHKSA-N 0 3 297.359 -1.489 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)[C@H]2CCC(=O)N2)cn1 ZINC001392363038 888682929 /nfs/dbraw/zinc/68/29/29/888682929.db2.gz JJRCFKPMHKWKLV-WDEREUQCSA-N 0 3 295.343 -1.735 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cn(C)cn1)C(N)=O ZINC001392366126 888682964 /nfs/dbraw/zinc/68/29/64/888682964.db2.gz LIIBIPVCFOSYEX-DTWKUNHWSA-N 0 3 283.332 -1.636 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CC[C@H]1CCOC1 ZINC001392365860 888683087 /nfs/dbraw/zinc/68/30/87/888683087.db2.gz OYVXTRCNAXPMDG-VHSXEESVSA-N 0 3 273.333 -1.645 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CNCC(=O)NC ZINC001392363432 888683217 /nfs/dbraw/zinc/68/32/17/888683217.db2.gz KDIQGOYHEBXHNW-MRVPVSSYSA-N 0 3 274.321 -2.675 20 0 CAADHN Cn1nccc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392362559 888683324 /nfs/dbraw/zinc/68/33/24/888683324.db2.gz RYVPLTHILSGFJJ-DTWKUNHWSA-N 0 3 281.316 -2.011 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001392366302 888683346 /nfs/dbraw/zinc/68/33/46/888683346.db2.gz AUJXEELDQVNGDG-QMMMGPOBSA-N 0 3 284.320 -2.369 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C[C@H]1CCOC1)NC1CC1 ZINC001392366057 888683388 /nfs/dbraw/zinc/68/33/88/888683388.db2.gz PDBIEJOSRBSBLS-PWSUYJOCSA-N 0 3 299.371 -1.242 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ncoc1C)C(N)=O ZINC001392363347 888683575 /nfs/dbraw/zinc/68/35/75/888683575.db2.gz UOESXPJLNRLMJH-RKDXNWHRSA-N 0 3 284.316 -1.073 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001392365629 888683423 /nfs/dbraw/zinc/68/34/23/888683423.db2.gz OGFDPROZTWDXJV-GFCCVEGCSA-N 0 3 292.343 -1.047 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnnn1C)C(N)=O ZINC001392365729 888683510 /nfs/dbraw/zinc/68/35/10/888683510.db2.gz FFOZDQKZQMRZMB-NKWVEPMBSA-N 0 3 270.293 -2.631 20 0 CAADHN Cn1nccc1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001392361599 888683605 /nfs/dbraw/zinc/68/36/05/888683605.db2.gz QCGJEDODOMRJAH-VHSXEESVSA-N 0 3 295.343 -1.621 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C[C@H]1CCOC1)NC1CC1 ZINC001392366063 888683850 /nfs/dbraw/zinc/68/38/50/888683850.db2.gz PDBIEJOSRBSBLS-ZYHUDNBSSA-N 0 3 299.371 -1.242 20 0 CAADHN CCn1nccc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001392366055 888683982 /nfs/dbraw/zinc/68/39/82/888683982.db2.gz XYFOSKNCGQLBPJ-VIFPVBQESA-N 0 3 283.332 -1.671 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)CC(C)(C)O)C(N)=O ZINC001392366428 888684010 /nfs/dbraw/zinc/68/40/10/888684010.db2.gz GLXBNTMSQNFFCZ-BDAKNGLRSA-N 0 3 275.349 -1.522 20 0 CAADHN CCn1nccc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392366446 888684027 /nfs/dbraw/zinc/68/40/27/888684027.db2.gz ZFKBTBHXNSSATN-ZJUUUORDSA-N 0 3 295.343 -1.528 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CC[C@H]1CCOC1 ZINC001392365858 888684207 /nfs/dbraw/zinc/68/42/07/888684207.db2.gz OYVXTRCNAXPMDG-UWVGGRQHSA-N 0 3 273.333 -1.645 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cn(C)cn1)C(N)=O ZINC001392366141 888684524 /nfs/dbraw/zinc/68/45/24/888684524.db2.gz LIIBIPVCFOSYEX-RKDXNWHRSA-N 0 3 283.332 -1.636 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1=CCOCC1)C(=O)N(C)C ZINC001392364855 888684973 /nfs/dbraw/zinc/68/49/73/888684973.db2.gz SSFMEJDSYWCCJM-PWSUYJOCSA-N 0 3 299.371 -1.124 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001392365665 888684747 /nfs/dbraw/zinc/68/47/47/888684747.db2.gz OGFDPROZTWDXJV-LBPRGKRZSA-N 0 3 292.343 -1.047 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CC[C@@H]1CCOC1 ZINC001392365855 888685144 /nfs/dbraw/zinc/68/51/44/888685144.db2.gz OYVXTRCNAXPMDG-NXEZZACHSA-N 0 3 273.333 -1.645 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001392363074 888684798 /nfs/dbraw/zinc/68/47/98/888684798.db2.gz GJGYJFNGROJRCN-IUCAKERBSA-N 0 3 296.327 -1.398 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnnn1C)C(N)=O ZINC001392365734 888685018 /nfs/dbraw/zinc/68/50/18/888685018.db2.gz FFOZDQKZQMRZMB-RQJHMYQMSA-N 0 3 270.293 -2.631 20 0 CAADHN Cn1nccc1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001392361602 888685274 /nfs/dbraw/zinc/68/52/74/888685274.db2.gz QCGJEDODOMRJAH-ZJUUUORDSA-N 0 3 295.343 -1.621 20 0 CAADHN Cc1c(CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cnn1C ZINC001392374494 888686682 /nfs/dbraw/zinc/68/66/82/888686682.db2.gz CZEARXFZFLUXBG-KWQFWETISA-N 0 3 297.359 -1.788 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)c2cnnn2C)cn1 ZINC001392367597 888686774 /nfs/dbraw/zinc/68/67/74/888686774.db2.gz LVJIITYAGLFLSO-JTQLQIEISA-N 0 3 293.331 -1.571 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](OC)C1CC1 ZINC001392367587 888687077 /nfs/dbraw/zinc/68/70/77/888687077.db2.gz LTPVHINWXZEFPU-MWLCHTKSSA-N 0 3 273.333 -1.776 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001392372063 888687202 /nfs/dbraw/zinc/68/72/02/888687202.db2.gz FCTRVJKCXBOPFP-NSHDSACASA-N 0 3 297.359 -1.883 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC001392368812 888687673 /nfs/dbraw/zinc/68/76/73/888687673.db2.gz TZSPABULJMOJEA-MNOVXSKESA-N 0 3 287.360 -1.242 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCOCC1 ZINC001392367579 888687462 /nfs/dbraw/zinc/68/74/62/888687462.db2.gz LSECYCZJVJHXQB-ZJUUUORDSA-N 0 3 273.333 -1.645 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1cnc(C)o1)C(N)=O ZINC001392370771 888687579 /nfs/dbraw/zinc/68/75/79/888687579.db2.gz AEYNUXJAWZSKGZ-KOLCDFICSA-N 0 3 298.343 -1.144 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cn2c(n1)CCC2 ZINC001392372757 888687608 /nfs/dbraw/zinc/68/76/08/888687608.db2.gz DSRUYGGUDDHJJX-SECBINFHSA-N 0 3 295.343 -1.744 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1(C)CC1)C(=O)NC(N)=O ZINC001392376618 888687656 /nfs/dbraw/zinc/68/76/56/888687656.db2.gz LLLXPWBBYAXXON-JGVFFNPUSA-N 0 3 286.332 -1.563 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnn(CC)n1)C(N)=O ZINC001392367994 888687681 /nfs/dbraw/zinc/68/76/81/888687681.db2.gz GIQGATMCRLYKAC-IUCAKERBSA-N 0 3 298.347 -1.758 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cnnn2C)n[nH]1 ZINC001392370480 888687693 /nfs/dbraw/zinc/68/76/93/888687693.db2.gz XWVIXJZXHMTUQK-MRVPVSSYSA-N 0 3 294.319 -1.878 20 0 CAADHN COC1(CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)CCC1 ZINC001392367525 888687794 /nfs/dbraw/zinc/68/77/94/888687794.db2.gz LNEGHZMMANRBIX-UWVGGRQHSA-N 0 3 287.360 -1.114 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001392374733 888687801 /nfs/dbraw/zinc/68/78/01/888687801.db2.gz DQAFRHWDZXICLW-RKDXNWHRSA-N 0 3 286.332 -2.723 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCOCC1 ZINC001392367574 888687812 /nfs/dbraw/zinc/68/78/12/888687812.db2.gz LSECYCZJVJHXQB-UWVGGRQHSA-N 0 3 273.333 -1.645 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1cccnc1)C(N)=O ZINC001392368555 888688055 /nfs/dbraw/zinc/68/80/55/888688055.db2.gz RMKHYYWRXMSADU-GXSJLCMTSA-N 0 3 280.328 -1.435 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001392372062 888688069 /nfs/dbraw/zinc/68/80/69/888688069.db2.gz FCTRVJKCXBOPFP-LLVKDONJSA-N 0 3 297.359 -1.883 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1ncc[nH]1 ZINC001392367779 888688291 /nfs/dbraw/zinc/68/82/91/888688291.db2.gz FPUBXVXSPDFMKA-RKDXNWHRSA-N 0 3 281.316 -1.631 20 0 CAADHN COCc1cncc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001392379212 888689488 /nfs/dbraw/zinc/68/94/88/888689488.db2.gz ZEFUGPXVTINALM-LLVKDONJSA-N 0 3 296.327 -1.606 20 0 CAADHN C[C@@H](CC(=O)NC[C@@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001392388150 888689574 /nfs/dbraw/zinc/68/95/74/888689574.db2.gz APNAYKBAQNGNHS-ONGXEEELSA-N 0 3 297.359 -1.534 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cn1cc(C2CC2)cn1 ZINC001392383114 888689714 /nfs/dbraw/zinc/68/97/14/888689714.db2.gz RJZNIMLHHNPXIK-LLVKDONJSA-N 0 3 295.343 -1.688 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1c(C)ncn1C)C(N)=O ZINC001392385098 888689849 /nfs/dbraw/zinc/68/98/49/888689849.db2.gz PJRJXJMGEYRPHR-NXEZZACHSA-N 0 3 297.359 -1.327 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(C)nn1 ZINC001392376793 888689995 /nfs/dbraw/zinc/68/99/95/888689995.db2.gz PKLMANMSKJPCPP-VIFPVBQESA-N 0 3 281.316 -1.789 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cn1cc(C2CC2)cn1 ZINC001392383115 888690105 /nfs/dbraw/zinc/69/01/05/888690105.db2.gz RJZNIMLHHNPXIK-NSHDSACASA-N 0 3 295.343 -1.688 20 0 CAADHN Cn1nc(C(=O)NC[C@H](O)CNCC(N)=O)cc1C1CC1 ZINC001392386211 888690122 /nfs/dbraw/zinc/69/01/22/888690122.db2.gz ZUCNVUAEVVSEOS-SECBINFHSA-N 0 3 295.343 -1.537 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccnc2ccnn21 ZINC001392386146 888690137 /nfs/dbraw/zinc/69/01/37/888690137.db2.gz ZLRJNEHVKDTZFE-QMMMGPOBSA-N 0 3 292.299 -2.105 20 0 CAADHN Cn1ccc(=O)c(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001392384138 888690183 /nfs/dbraw/zinc/69/01/83/888690183.db2.gz AZLYDKGZRYJYNE-MRVPVSSYSA-N 0 3 282.300 -2.449 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001392388476 888690302 /nfs/dbraw/zinc/69/03/02/888690302.db2.gz OVWZHPCOFXWJPP-ZETCQYMHSA-N 0 3 281.316 -1.936 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1cccnc1)C(N)=O ZINC001392383719 888690313 /nfs/dbraw/zinc/69/03/13/888690313.db2.gz GRVQIHJWFYUJHE-CMPLNLGQSA-N 0 3 294.355 -1.045 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)c(C)nn1 ZINC001392379923 888690340 /nfs/dbraw/zinc/69/03/40/888690340.db2.gz WCXDTFQIYWJUGN-VIFPVBQESA-N 0 3 281.316 -1.741 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccnc(OC)c1 ZINC001392378800 888690349 /nfs/dbraw/zinc/69/03/49/888690349.db2.gz HPTLHVJYYGZMES-SNVBAGLBSA-N 0 3 296.327 -1.484 20 0 CAADHN CCOCC1(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001392384413 888690549 /nfs/dbraw/zinc/69/05/49/888690549.db2.gz VSZSQHYDEYMKSU-QWRGUYRKSA-N 0 3 299.371 -1.242 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCCN1C ZINC001392384986 888690586 /nfs/dbraw/zinc/69/05/86/888690586.db2.gz IXQJDHVCDREHLB-WDEREUQCSA-N 0 3 286.376 -1.717 20 0 CAADHN COCc1cncc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001392379223 888690602 /nfs/dbraw/zinc/69/06/02/888690602.db2.gz ZEFUGPXVTINALM-NSHDSACASA-N 0 3 296.327 -1.606 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1ccncn1 ZINC001392378187 888690745 /nfs/dbraw/zinc/69/07/45/888690745.db2.gz RVRKEZQWKFDOSJ-NSHDSACASA-N 0 3 295.343 -1.778 20 0 CAADHN CN(C)c1cnc(C(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001392376964 888690753 /nfs/dbraw/zinc/69/07/53/888690753.db2.gz QCGRDGKYGSVKMR-QMMMGPOBSA-N 0 3 296.331 -2.292 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCCN1C ZINC001392384973 888690797 /nfs/dbraw/zinc/69/07/97/888690797.db2.gz IXQJDHVCDREHLB-GHMZBOCLSA-N 0 3 286.376 -1.717 20 0 CAADHN C[C@@H](CC(=O)NC[C@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001392388100 888690803 /nfs/dbraw/zinc/69/08/03/888690803.db2.gz APNAYKBAQNGNHS-GXSJLCMTSA-N 0 3 297.359 -1.534 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1(c2ccccn2)CC1 ZINC001392378258 888690806 /nfs/dbraw/zinc/69/08/06/888690806.db2.gz VDQGTGLOVKLUTN-SNVBAGLBSA-N 0 3 292.339 -1.335 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnc2n1CCOC2 ZINC001392379342 888690894 /nfs/dbraw/zinc/69/08/94/888690894.db2.gz DYOTVKSNZGCFBX-QMMMGPOBSA-N 0 3 297.315 -2.421 20 0 CAADHN COCC(C)(C)C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392384811 888690970 /nfs/dbraw/zinc/69/09/70/888690970.db2.gz CQMUNUOUTPIMSF-UWVGGRQHSA-N 0 3 287.360 -1.386 20 0 CAADHN O=C(Cc1cncs1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392387811 888691035 /nfs/dbraw/zinc/69/10/35/888691035.db2.gz UEIFSSBYYPYDRJ-WPRPVWTQSA-N 0 3 298.368 -1.359 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1n[nH]cc1C ZINC001392378766 888691125 /nfs/dbraw/zinc/69/11/25/888691125.db2.gz WNKMZEFRGQDOIM-DTWKUNHWSA-N 0 3 283.332 -1.467 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccnn1C(C)C ZINC001392377006 888691591 /nfs/dbraw/zinc/69/15/91/888691591.db2.gz PHDIZYSIYITJRH-JTQLQIEISA-N 0 3 297.359 -1.110 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001392396301 888692727 /nfs/dbraw/zinc/69/27/27/888692727.db2.gz VVPPZEJQNSSVCL-MWLCHTKSSA-N 0 3 296.327 -1.106 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CNCC(=O)NC(C)C ZINC001392392773 888692739 /nfs/dbraw/zinc/69/27/39/888692739.db2.gz PLDNBPIQFUYXJY-SNVBAGLBSA-N 0 3 297.359 -1.077 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001392389881 888692779 /nfs/dbraw/zinc/69/27/79/888692779.db2.gz JBBPQOBJSRUYHV-SSDOTTSWSA-N 0 3 285.304 -2.406 20 0 CAADHN O=C(COCC(F)F)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392393120 888692900 /nfs/dbraw/zinc/69/29/00/888692900.db2.gz HFGLJQHBQKFUDQ-YUMQZZPRSA-N 0 3 295.286 -1.777 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccc2[nH]ccc2n1 ZINC001392389308 888693036 /nfs/dbraw/zinc/69/30/36/888693036.db2.gz OKUIBKKFGYVMIV-QMMMGPOBSA-N 0 3 291.311 -1.272 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001392396306 888693233 /nfs/dbraw/zinc/69/32/33/888693233.db2.gz VVPPZEJQNSSVCL-ONGXEEELSA-N 0 3 296.327 -1.106 20 0 CAADHN COc1cnc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)nc1 ZINC001392391241 888693253 /nfs/dbraw/zinc/69/32/53/888693253.db2.gz UIKOETXGKZUCEB-HTQZYQBOSA-N 0 3 297.315 -1.961 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)n1 ZINC001392393585 888693494 /nfs/dbraw/zinc/69/34/94/888693494.db2.gz DDIIQEQDQUXSPH-YUMQZZPRSA-N 0 3 297.319 -2.831 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CNCc2ccnn2C)n1 ZINC001392393806 888693588 /nfs/dbraw/zinc/69/35/88/888693588.db2.gz FBENTLRDNSEXSP-SECBINFHSA-N 0 3 294.319 -2.176 20 0 CAADHN COc1cnc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)nc1 ZINC001392391246 888693623 /nfs/dbraw/zinc/69/36/23/888693623.db2.gz UIKOETXGKZUCEB-SFYZADRCSA-N 0 3 297.315 -1.961 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cccc2c[nH]nc21 ZINC001392391813 888693832 /nfs/dbraw/zinc/69/38/32/888693832.db2.gz MUOGNEQACUTSEZ-SECBINFHSA-N 0 3 291.311 -1.272 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001392395855 888693870 /nfs/dbraw/zinc/69/38/70/888693870.db2.gz HZKMUMZAYVQHHW-GCHJQGSQSA-N 0 3 297.355 -1.776 20 0 CAADHN CC(F)(F)CC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392392621 888693954 /nfs/dbraw/zinc/69/39/54/888693954.db2.gz LTARBGGFXJJIIS-JGVFFNPUSA-N 0 3 279.287 -1.013 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001392397118 888694120 /nfs/dbraw/zinc/69/41/20/888694120.db2.gz XBNNNQKDRCCDQI-JGVFFNPUSA-N 0 3 299.331 -2.017 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)n1 ZINC001392393579 888694198 /nfs/dbraw/zinc/69/41/98/888694198.db2.gz DDIIQEQDQUXSPH-SFYZADRCSA-N 0 3 297.319 -2.831 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)Cc2cnoc2)C1=O ZINC001392392209 888694215 /nfs/dbraw/zinc/69/42/15/888694215.db2.gz MEAPHEFZTHCKFN-GHMZBOCLSA-N 0 3 296.327 -1.486 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001392389599 888694304 /nfs/dbraw/zinc/69/43/04/888694304.db2.gz CJDRONAVKGGBRW-VIFPVBQESA-N 0 3 286.307 -1.030 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CCc1ccon1 ZINC001392392500 888694703 /nfs/dbraw/zinc/69/47/03/888694703.db2.gz QUBURRMNDYTPSE-MWLCHTKSSA-N 0 3 298.343 -1.192 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001392390430 888694768 /nfs/dbraw/zinc/69/47/68/888694768.db2.gz GUEJZVWKQXUQOC-SFYZADRCSA-N 0 3 297.315 -2.415 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)n1 ZINC001392393575 888694884 /nfs/dbraw/zinc/69/48/84/888694884.db2.gz DDIIQEQDQUXSPH-JGVFFNPUSA-N 0 3 297.319 -2.831 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)Cc2cnoc2)C1=O ZINC001392392215 888694944 /nfs/dbraw/zinc/69/49/44/888694944.db2.gz MEAPHEFZTHCKFN-WDEREUQCSA-N 0 3 296.327 -1.486 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CCc1ccon1 ZINC001392392497 888695026 /nfs/dbraw/zinc/69/50/26/888695026.db2.gz QUBURRMNDYTPSE-KOLCDFICSA-N 0 3 298.343 -1.192 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cn1cncc1C ZINC001392391024 888695054 /nfs/dbraw/zinc/69/50/54/888695054.db2.gz QGPZMVNOLVAPPA-NSHDSACASA-N 0 3 297.359 -1.606 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001392397120 888695213 /nfs/dbraw/zinc/69/52/13/888695213.db2.gz XBNNNQKDRCCDQI-SFYZADRCSA-N 0 3 299.331 -2.017 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1)N1CCC1 ZINC001392397538 888696480 /nfs/dbraw/zinc/69/64/80/888696480.db2.gz WERCKBGLUMKBHI-BDAKNGLRSA-N 0 3 299.331 -3.033 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cncc(OC)n1 ZINC001392407646 888696552 /nfs/dbraw/zinc/69/65/52/888696552.db2.gz JBPRARFMTZSPKK-QMMMGPOBSA-N 0 3 297.315 -2.089 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1n[nH]cc1F)N1CCC1 ZINC001392404457 888696693 /nfs/dbraw/zinc/69/66/93/888696693.db2.gz RBTDKFNMBBBZIC-MRVPVSSYSA-N 0 3 299.306 -1.539 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001392398984 888696838 /nfs/dbraw/zinc/69/68/38/888696838.db2.gz ZVIKGKFANDCLNU-PELKAZGASA-N 0 3 286.332 -2.532 20 0 CAADHN Cc1cc(CNC[C@H](O)CNC(=O)c2nnc[nH]2)ncn1 ZINC001392408919 888697122 /nfs/dbraw/zinc/69/71/22/888697122.db2.gz KAORTXJEKALRSL-JTQLQIEISA-N 0 3 291.315 -1.216 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cncc(Cl)c1 ZINC001392407472 888697146 /nfs/dbraw/zinc/69/71/46/888697146.db2.gz HFZDVRKGUJJLDZ-SECBINFHSA-N 0 3 286.719 -1.099 20 0 CAADHN Cc1cc(CNC[C@@H](O)CNC(=O)c2nnc[nH]2)on1 ZINC001392408982 888697302 /nfs/dbraw/zinc/69/73/02/888697302.db2.gz KNPCTUABYQQAHG-MRVPVSSYSA-N 0 3 280.288 -1.018 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCCF)C(=O)NC(N)=O ZINC001392400013 888697489 /nfs/dbraw/zinc/69/74/89/888697489.db2.gz QIIZLMNXEAHDOF-SFYZADRCSA-N 0 3 292.311 -1.614 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392403424 888697609 /nfs/dbraw/zinc/69/76/09/888697609.db2.gz XTYVSYUHDHVODR-ZJUUUORDSA-N 0 3 295.343 -1.703 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1c(C)cnn1C ZINC001392402887 888697638 /nfs/dbraw/zinc/69/76/38/888697638.db2.gz WYHIJUJFHOCLNY-VHSXEESVSA-N 0 3 297.359 -1.457 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1cccnn1 ZINC001392408117 888697694 /nfs/dbraw/zinc/69/76/94/888697694.db2.gz AXLWOMVGMCMYMI-ZJUUUORDSA-N 0 3 293.327 -1.565 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ocnc1C1CC1 ZINC001392398923 888698024 /nfs/dbraw/zinc/69/80/24/888698024.db2.gz CWXQGRBIZDQFGE-VIFPVBQESA-N 0 3 296.327 -1.022 20 0 CAADHN Cc1ncccc1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001392400793 888698547 /nfs/dbraw/zinc/69/85/47/888698547.db2.gz HADSMTFWJMNZBW-NSHDSACASA-N 0 3 280.328 -1.515 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)[nH]1 ZINC001392402541 888698611 /nfs/dbraw/zinc/69/86/11/888698611.db2.gz PTXSKAWBENXDTH-JTQLQIEISA-N 0 3 297.359 -1.205 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001392398337 888699142 /nfs/dbraw/zinc/69/91/42/888699142.db2.gz OCWBZRXZAGSKGX-SECBINFHSA-N 0 3 294.319 -2.176 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1nocc1C)C(N)=O ZINC001392416470 888700769 /nfs/dbraw/zinc/70/07/69/888700769.db2.gz CMLRYLHTEOPOGP-RKDXNWHRSA-N 0 3 284.316 -1.073 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1c(C)n[nH]c1C ZINC001392420342 888700242 /nfs/dbraw/zinc/70/02/42/888700242.db2.gz FIWXRPFNASRDPG-JTQLQIEISA-N 0 3 297.359 -1.618 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1cnon1 ZINC001392413435 888700305 /nfs/dbraw/zinc/70/03/05/888700305.db2.gz RWUCZKAYVWZSEA-JGVFFNPUSA-N 0 3 283.288 -1.972 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1[nH]nc2ccccc21 ZINC001392415302 888700564 /nfs/dbraw/zinc/70/05/64/888700564.db2.gz DCFZYYUNAVYIGC-QMMMGPOBSA-N 0 3 291.311 -1.272 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1cn[nH]c1)C(N)=O ZINC001392409905 888700710 /nfs/dbraw/zinc/70/07/10/888700710.db2.gz OYIWIWHFYDZKGZ-WCBMZHEXSA-N 0 3 283.332 -1.717 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001392421361 888700743 /nfs/dbraw/zinc/70/07/43/888700743.db2.gz DDQXZSXGCGGDKV-UWVGGRQHSA-N 0 3 285.344 -1.645 20 0 CAADHN Cc1nonc1CC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392410767 888700833 /nfs/dbraw/zinc/70/08/33/888700833.db2.gz OTHGSYINMBLJHN-BDAKNGLRSA-N 0 3 297.315 -2.124 20 0 CAADHN CC(C)c1cc(C(=O)NC[C@@H](O)CNCC(N)=O)on1 ZINC001392415993 888701030 /nfs/dbraw/zinc/70/10/30/888701030.db2.gz ZEERYYLCSOQNII-QMMMGPOBSA-N 0 3 284.316 -1.036 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1ncc[nH]1)C(=O)N(C)C ZINC001392412280 888701388 /nfs/dbraw/zinc/70/13/88/888701388.db2.gz VGESSBOHRLMWRE-NXEZZACHSA-N 0 3 297.359 -1.504 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1ncc[nH]1)C(=O)N(C)C ZINC001392412281 888701572 /nfs/dbraw/zinc/70/15/72/888701572.db2.gz VGESSBOHRLMWRE-UWVGGRQHSA-N 0 3 297.359 -1.504 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001392411781 888701921 /nfs/dbraw/zinc/70/19/21/888701921.db2.gz KCTIVNKSSSNKPS-SECBINFHSA-N 0 3 280.288 -1.316 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001392409914 888702282 /nfs/dbraw/zinc/70/22/82/888702282.db2.gz NMTBTWKMDSJPGZ-DTWKUNHWSA-N 0 3 283.332 -1.847 20 0 CAADHN NC(=O)CCCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392419104 888702326 /nfs/dbraw/zinc/70/23/26/888702326.db2.gz AATZANRCZJCFGG-DTWKUNHWSA-N 0 3 286.332 -2.403 20 0 CAADHN O=C(Cn1cncn1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392416841 888702364 /nfs/dbraw/zinc/70/23/64/888702364.db2.gz DTWFZDINSJCIGC-IUCAKERBSA-N 0 3 282.304 -2.767 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c(=O)[nH]1 ZINC001392409728 888702382 /nfs/dbraw/zinc/70/23/82/888702382.db2.gz UITIFGBDXXTYLL-DTWKUNHWSA-N 0 3 296.327 -1.350 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cn(CC)nn1)C(N)=O ZINC001392409358 888703051 /nfs/dbraw/zinc/70/30/51/888703051.db2.gz KFAVMAXHOUFVOV-RKDXNWHRSA-N 0 3 298.347 -1.758 20 0 CAADHN Cn1ccnc1CNC[C@@H](O)CNC(=O)Cc1nnc[nH]1 ZINC001392418289 888703335 /nfs/dbraw/zinc/70/33/35/888703335.db2.gz FZBMUWZYQIXDLW-SECBINFHSA-N 0 3 293.331 -1.652 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1c(C)n[nH]c1C ZINC001392420347 888703588 /nfs/dbraw/zinc/70/35/88/888703588.db2.gz FIWXRPFNASRDPG-SNVBAGLBSA-N 0 3 297.359 -1.618 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@]1(C)CCOC1 ZINC001392409460 888703917 /nfs/dbraw/zinc/70/39/17/888703917.db2.gz KYSBVCRHZFXUAJ-MFKMUULPSA-N 0 3 287.360 -1.432 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CNCC(N)=O)n(C)c1=O ZINC001392434298 888705750 /nfs/dbraw/zinc/70/57/50/888705750.db2.gz WYRPJXARNYZLGN-SSDOTTSWSA-N 0 3 285.304 -3.111 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H](C)NC(N)=O ZINC001392440874 888706600 /nfs/dbraw/zinc/70/66/00/888706600.db2.gz DQGHIIBHLWUFOC-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)COc1ccsc1 ZINC001392427609 888706687 /nfs/dbraw/zinc/70/66/87/888706687.db2.gz USAHOEAFHSNIHO-MRVPVSSYSA-N 0 3 287.341 -1.321 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001392430563 888706820 /nfs/dbraw/zinc/70/68/20/888706820.db2.gz VZTVTFPNQNEVLV-SSDOTTSWSA-N 0 3 270.293 -2.840 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001392434432 888706908 /nfs/dbraw/zinc/70/69/08/888706908.db2.gz XRYCJKBXYMWVDI-SNVBAGLBSA-N 0 3 295.343 -1.369 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001392424867 888707513 /nfs/dbraw/zinc/70/75/13/888707513.db2.gz SBVMBZNRDBZJAA-WPRPVWTQSA-N 0 3 296.327 -1.398 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNCc1cnn(C)n1)N(C)C ZINC001392425454 888707543 /nfs/dbraw/zinc/70/75/43/888707543.db2.gz WLSUDXIOGDWJTR-VXGBXAGGSA-N 0 3 298.391 -1.278 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001392430565 888707725 /nfs/dbraw/zinc/70/77/25/888707725.db2.gz VZTVTFPNQNEVLV-ZETCQYMHSA-N 0 3 270.293 -2.840 20 0 CAADHN Cc1cnn(CCC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001392425984 888708393 /nfs/dbraw/zinc/70/83/93/888708393.db2.gz KBIWUEBKUCYMDB-WDEREUQCSA-N 0 3 297.359 -1.478 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)C[C@H](C)NC(N)=O ZINC001392440875 888709379 /nfs/dbraw/zinc/70/93/79/888709379.db2.gz DQGHIIBHLWUFOC-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001392452751 888709500 /nfs/dbraw/zinc/70/95/00/888709500.db2.gz FKSLQUCCZFMYJW-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CNC(=O)OC)C(N)=O ZINC001392464494 888709529 /nfs/dbraw/zinc/70/95/29/888709529.db2.gz HLMXOZJCJFAFFO-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001392466691 888709803 /nfs/dbraw/zinc/70/98/03/888709803.db2.gz PRRWJZDVTPVLKY-MXWKQRLJSA-N 0 3 296.371 -1.020 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CN1CCCNC1=O ZINC001392450896 888710329 /nfs/dbraw/zinc/71/03/29/888710329.db2.gz WNODVGDDITZPAU-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001392452750 888710394 /nfs/dbraw/zinc/71/03/94/888710394.db2.gz FKSLQUCCZFMYJW-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001392476213 888710430 /nfs/dbraw/zinc/71/04/30/888710430.db2.gz OLGNLVDXBMAANB-GJMOJQLCSA-N 0 3 273.337 -1.599 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001392442640 888710642 /nfs/dbraw/zinc/71/06/42/888710642.db2.gz KJJKFRZOHIQPDA-DTWKUNHWSA-N 0 3 287.364 -1.255 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CN(C)C(C)=O ZINC001392443334 888711051 /nfs/dbraw/zinc/71/10/51/888711051.db2.gz YKQVYQZKYYMPGF-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001392469556 888710780 /nfs/dbraw/zinc/71/07/80/888710780.db2.gz ZTZXFWVAJOQDDR-PSASIEDQSA-N 0 3 270.333 -1.553 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001392442644 888710832 /nfs/dbraw/zinc/71/08/32/888710832.db2.gz KJJKFRZOHIQPDA-IUCAKERBSA-N 0 3 287.364 -1.255 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001392461908 888711009 /nfs/dbraw/zinc/71/10/09/888711009.db2.gz XFECEBZGUSPZOA-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)Cc1ccn(C)n1 ZINC001392475068 888711147 /nfs/dbraw/zinc/71/11/47/888711147.db2.gz KEOSYPKERFXNSP-KOLCDFICSA-N 0 3 279.344 -1.055 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H](C)NC(N)=O ZINC001392440878 888711525 /nfs/dbraw/zinc/71/15/25/888711525.db2.gz DQGHIIBHLWUFOC-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CN1CCOCC1 ZINC001392471671 888711823 /nfs/dbraw/zinc/71/18/23/888711823.db2.gz QCTZKAFAQIJCDH-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001392452077 888712030 /nfs/dbraw/zinc/71/20/30/888712030.db2.gz FVFYCNMEFINZIO-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCOCC1 ZINC001392472294 888712158 /nfs/dbraw/zinc/71/21/58/888712158.db2.gz WKOSMUOLCZRYAM-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)CS(C)(=O)=O ZINC001392443900 888712206 /nfs/dbraw/zinc/71/22/06/888712206.db2.gz WMJXEGCPTCVHCO-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001392468993 888712223 /nfs/dbraw/zinc/71/22/23/888712223.db2.gz SRKKFIOITVHFJY-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001392470212 888712259 /nfs/dbraw/zinc/71/22/59/888712259.db2.gz KPQRNHLULHFORH-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN COCC(=O)N[C@H](C)CNCC(=O)N1CCO[C@H](C)C1 ZINC001392458490 888712435 /nfs/dbraw/zinc/71/24/35/888712435.db2.gz MPXHDFLEHDZAHU-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CC(C)[C@@H](O)C(=O)N[C@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001392474193 888712554 /nfs/dbraw/zinc/71/25/54/888712554.db2.gz KJEHRTUAUWFMAD-IWSPIJDZSA-N 0 3 288.348 -1.319 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cn[nH]c1 ZINC001392464236 888712594 /nfs/dbraw/zinc/71/25/94/888712594.db2.gz DPLXIHQETUAZHL-HTQZYQBOSA-N 0 3 296.331 -1.038 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001392474955 888712620 /nfs/dbraw/zinc/71/26/20/888712620.db2.gz GBCHFDBFDQLFQK-HTQZYQBOSA-N 0 3 272.305 -1.675 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCn1ccnn1 ZINC001392474956 888712794 /nfs/dbraw/zinc/71/27/94/888712794.db2.gz JVXZCEJPQNPPHY-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001392452080 888712954 /nfs/dbraw/zinc/71/29/54/888712954.db2.gz FVFYCNMEFINZIO-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1ccc2nncn2c1 ZINC001392515044 888714111 /nfs/dbraw/zinc/71/41/11/888714111.db2.gz KPWIOIFYURZZSQ-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN(C)C(=O)COC ZINC001392487707 888714149 /nfs/dbraw/zinc/71/41/49/888714149.db2.gz OUBVVFOSVNOGDM-SECBINFHSA-N 0 3 288.348 -2.069 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)c1nnn(C)n1 ZINC001392506877 888714187 /nfs/dbraw/zinc/71/41/87/888714187.db2.gz UDMBVPRDAHVALX-HTQZYQBOSA-N 0 3 283.336 -1.605 20 0 CAADHN COc1c[nH]c(C(=O)N[C@H](C)CN[C@@H](C)C(N)=O)cc1=O ZINC001392494961 888714322 /nfs/dbraw/zinc/71/43/22/888714322.db2.gz SHJAHSMPVMWKMN-SFYZADRCSA-N 0 3 296.327 -1.035 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001392519665 888714394 /nfs/dbraw/zinc/71/43/94/888714394.db2.gz JWESYFOEYKCSMN-APPZFPTMSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001392507447 888714988 /nfs/dbraw/zinc/71/49/88/888714988.db2.gz ZUTWCUNCTMEFPO-HLTSFMKQSA-N 0 3 270.333 -1.425 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001392492433 888715004 /nfs/dbraw/zinc/71/50/04/888715004.db2.gz OJQMCVVNIVVVKH-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001392486409 888715177 /nfs/dbraw/zinc/71/51/77/888715177.db2.gz YPUMWTJXJOMGAO-BDAKNGLRSA-N 0 3 295.343 -1.377 20 0 CAADHN Cc1ncn(C)c1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001392481644 888715311 /nfs/dbraw/zinc/71/53/11/888715311.db2.gz AIXZEMYZRACZSY-SSDOTTSWSA-N 0 3 296.331 -1.369 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392501293 888715449 /nfs/dbraw/zinc/71/54/49/888715449.db2.gz JLIIRYJDLTUUGI-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001392488901 888715568 /nfs/dbraw/zinc/71/55/68/888715568.db2.gz VAICNKRXTRWJIN-RKDXNWHRSA-N 0 3 270.333 -1.695 20 0 CAADHN COc1c[nH]c(C(=O)N[C@H](C)CN[C@H](C)C(N)=O)cc1=O ZINC001392494958 888715862 /nfs/dbraw/zinc/71/58/62/888715862.db2.gz SHJAHSMPVMWKMN-HTQZYQBOSA-N 0 3 296.327 -1.035 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)Cn1cc(C2CC2)nn1 ZINC001392481442 888716206 /nfs/dbraw/zinc/71/62/06/888716206.db2.gz ACODMHWVHHZPIO-MRVPVSSYSA-N 0 3 280.332 -1.265 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001392488958 888716316 /nfs/dbraw/zinc/71/63/16/888716316.db2.gz VIDXMBJEFBEAIL-NXEZZACHSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001392492441 888716480 /nfs/dbraw/zinc/71/64/80/888716480.db2.gz OJQMCVVNIVVVKH-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CN1CCC(=O)NC1=O ZINC001392522202 888716590 /nfs/dbraw/zinc/71/65/90/888716590.db2.gz QGAGXWAISBZAHZ-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392505337 888716676 /nfs/dbraw/zinc/71/66/76/888716676.db2.gz YZQBSKMCNSOEEV-NXEZZACHSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)COCc1cc[nH]c(=O)c1 ZINC001392488135 888716899 /nfs/dbraw/zinc/71/68/99/888716899.db2.gz UGZUTBZAEVHHDH-SECBINFHSA-N 0 3 296.327 -1.117 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001392486413 888717160 /nfs/dbraw/zinc/71/71/60/888717160.db2.gz YPUMWTJXJOMGAO-RKDXNWHRSA-N 0 3 295.343 -1.377 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1COCCO1 ZINC001392546427 888718020 /nfs/dbraw/zinc/71/80/20/888718020.db2.gz DLYSEKWLZWKHOT-IUCAKERBSA-N 0 3 299.331 -1.882 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001392550410 888718349 /nfs/dbraw/zinc/71/83/49/888718349.db2.gz NNYVHOBXTMPYLU-QMMMGPOBSA-N 0 3 296.331 -1.748 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCn1cncn1 ZINC001392541127 888718398 /nfs/dbraw/zinc/71/83/98/888718398.db2.gz BFEWFJZJNRBYRZ-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001392549984 888719210 /nfs/dbraw/zinc/71/92/10/888719210.db2.gz KPQRNHLULHFORH-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN Cc1nc([C@@H](C)NC[C@H](C)NC(=O)Cn2cnnn2)n[nH]1 ZINC001392542711 888719342 /nfs/dbraw/zinc/71/93/42/888719342.db2.gz OMGNHNMFAFPEQA-JGVFFNPUSA-N 0 3 293.335 -1.045 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)c1cnnn1C ZINC001392558166 888719420 /nfs/dbraw/zinc/71/94/20/888719420.db2.gz PHYXBGIZCMYFDC-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CN1CCCC1=O)C(N)=O ZINC001392542335 888719619 /nfs/dbraw/zinc/71/96/19/888719619.db2.gz MLDUIHDDEGBBGX-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN[C@H]1CCCN(C)C1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001392527097 888720045 /nfs/dbraw/zinc/72/00/45/888720045.db2.gz SSCWCLOZSYUCBT-VWYCJHECSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCn1cncn1 ZINC001392541115 888720090 /nfs/dbraw/zinc/72/00/90/888720090.db2.gz BFEWFJZJNRBYRZ-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001392548853 888720231 /nfs/dbraw/zinc/72/02/31/888720231.db2.gz GAZJJAYYNJQIOA-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1COC(=O)N1 ZINC001392558632 888720375 /nfs/dbraw/zinc/72/03/75/888720375.db2.gz VYBUAGHQYJXMFO-WCBMZHEXSA-N 0 3 298.343 -1.285 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CNC(=O)C1CC1)C(N)=O ZINC001392550358 888720466 /nfs/dbraw/zinc/72/04/66/888720466.db2.gz ZZEFZYZDSKWTSN-WCBMZHEXSA-N 0 3 284.360 -1.129 20 0 CAADHN CCCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001392524040 888720486 /nfs/dbraw/zinc/72/04/86/888720486.db2.gz FWEUVUFVXBUKEV-SECBINFHSA-N 0 3 282.348 -1.032 20 0 CAADHN C[C@H](CNCc1cn(C)nn1)NC(=O)Cc1nnc[nH]1 ZINC001392526000 888720527 /nfs/dbraw/zinc/72/05/27/888720527.db2.gz RSAWFMVRTZVIBN-MRVPVSSYSA-N 0 3 278.320 -1.230 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCc1cn(C)nn1 ZINC001392537561 888720547 /nfs/dbraw/zinc/72/05/47/888720547.db2.gz MYQCTBIRDWRRBJ-BDAKNGLRSA-N 0 3 282.348 -1.284 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CN1CCCC1=O)C(N)=O ZINC001392542329 888720795 /nfs/dbraw/zinc/72/07/95/888720795.db2.gz MLDUIHDDEGBBGX-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1ccn[nH]1 ZINC001392547442 888721030 /nfs/dbraw/zinc/72/10/30/888721030.db2.gz VRQFQZUJDFBDJM-ZETCQYMHSA-N 0 3 282.304 -1.427 20 0 CAADHN C[C@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001392527094 888721137 /nfs/dbraw/zinc/72/11/37/888721137.db2.gz SSCWCLOZSYUCBT-OUAUKWLOSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cnc2n1CCOC2 ZINC001392576550 888722168 /nfs/dbraw/zinc/72/21/68/888722168.db2.gz QHDSBRSYZBNBSI-IUCAKERBSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001392560467 888722226 /nfs/dbraw/zinc/72/22/26/888722226.db2.gz IPMMVVZWLSZIOG-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001392573574 888722251 /nfs/dbraw/zinc/72/22/51/888722251.db2.gz OCQHYHVOHXQUEM-DTWKUNHWSA-N 0 3 285.348 -1.643 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001392578893 888722310 /nfs/dbraw/zinc/72/23/10/888722310.db2.gz HPEVOCBRKBVTPI-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001392595387 888722476 /nfs/dbraw/zinc/72/24/76/888722476.db2.gz WZGLPHAZQNEAIG-SFGNSQDASA-N 0 3 282.344 -1.519 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CN1CCCCC1=O ZINC001392575773 888722528 /nfs/dbraw/zinc/72/25/28/888722528.db2.gz ZYIDBRUCIPUAJR-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)n[nH]1 ZINC001392582528 888722548 /nfs/dbraw/zinc/72/25/48/888722548.db2.gz FXAIWCKVDNEUPC-IONNQARKSA-N 0 3 295.347 -1.269 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001392599080 888722567 /nfs/dbraw/zinc/72/25/67/888722567.db2.gz YNIUBSUBLHFHOP-WPRPVWTQSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)Cc1nnc[n-]1 ZINC001392605037 888722640 /nfs/dbraw/zinc/72/26/40/888722640.db2.gz GKCZVPQDFCXTLG-IUCAKERBSA-N 0 3 280.332 -1.280 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCCS(C)(=O)=O ZINC001392601004 888722763 /nfs/dbraw/zinc/72/27/63/888722763.db2.gz KCLJTWPTEBZMCG-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H](C)CC(N)=O ZINC001392582238 888722894 /nfs/dbraw/zinc/72/28/94/888722894.db2.gz GAMINODCYGJQQW-IUCAKERBSA-N 0 3 272.349 -1.272 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cnc2n1CCOC2)C(N)=O ZINC001392576548 888723023 /nfs/dbraw/zinc/72/30/23/888723023.db2.gz QHDSBRSYZBNBSI-DTWKUNHWSA-N 0 3 295.343 -1.005 20 0 CAADHN Cc1occc(=O)c1OCC(=O)N[C@@H](C)CNCC(N)=O ZINC001392574780 888723323 /nfs/dbraw/zinc/72/33/23/888723323.db2.gz NHQZIQIMRWLTHU-QMMMGPOBSA-N 0 3 297.311 -1.093 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC1CC1 ZINC001392565264 888723348 /nfs/dbraw/zinc/72/33/48/888723348.db2.gz CIMAGIKATCNANU-DTWKUNHWSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001392607279 888723382 /nfs/dbraw/zinc/72/33/82/888723382.db2.gz BGORIDOLCVXPPJ-CBAPKCEASA-N 0 3 287.364 -1.351 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001392566483 888723538 /nfs/dbraw/zinc/72/35/38/888723538.db2.gz YZXIITURGYIPRC-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001392591411 888723739 /nfs/dbraw/zinc/72/37/39/888723739.db2.gz QDWXUEMMHLABGK-IONNQARKSA-N 0 3 283.332 -1.959 20 0 CAADHN C[C@@H](CN[C@@H](C)c1nnnn1C)NC(=O)c1nc[nH]n1 ZINC001392603471 888723796 /nfs/dbraw/zinc/72/37/96/888723796.db2.gz VBULGZYFBBEHDV-BQBZGAKWSA-N 0 3 279.308 -1.203 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001392560708 888723928 /nfs/dbraw/zinc/72/39/28/888723928.db2.gz MAVHPAFVIRJMAV-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001392566485 888723995 /nfs/dbraw/zinc/72/39/95/888723995.db2.gz YZXIITURGYIPRC-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN COc1c(C(=O)N[C@@H](C)CNCC(N)=O)c(C)nn1C ZINC001392588630 888724190 /nfs/dbraw/zinc/72/41/90/888724190.db2.gz VLBAYGDUJRPPKA-ZETCQYMHSA-N 0 3 283.332 -1.070 20 0 CAADHN COC[C@@H](OC)C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001392599380 888724220 /nfs/dbraw/zinc/72/42/20/888724220.db2.gz LRENOFZNPBTTHC-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001392589948 888724300 /nfs/dbraw/zinc/72/43/00/888724300.db2.gz KSJUQYDNYRHKKQ-DTWKUNHWSA-N 0 3 293.327 -1.244 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001392570433 888724331 /nfs/dbraw/zinc/72/43/31/888724331.db2.gz DHPDMONJHKSGMD-YUMQZZPRSA-N 0 3 297.315 -2.083 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cccc(=O)n1C ZINC001392597089 888724371 /nfs/dbraw/zinc/72/43/71/888724371.db2.gz XRNZCNJNPZFNAT-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)C[C@H](C)NC(N)=O ZINC001392564342 888724413 /nfs/dbraw/zinc/72/44/13/888724413.db2.gz DAAPTEVWOAQGDF-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cnon1 ZINC001392599751 888724506 /nfs/dbraw/zinc/72/45/06/888724506.db2.gz CKOQVOYFOXSGBL-BQBZGAKWSA-N 0 3 298.303 -1.378 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001392592495 888724688 /nfs/dbraw/zinc/72/46/88/888724688.db2.gz MKKOUMACRBMJHY-UWVGGRQHSA-N 0 3 296.375 -1.024 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1csnn1 ZINC001392585840 888724852 /nfs/dbraw/zinc/72/48/52/888724852.db2.gz ZTZDVSFWGQXTSD-LURJTMIESA-N 0 3 297.344 -1.132 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001392584079 888725049 /nfs/dbraw/zinc/72/50/49/888725049.db2.gz YZQBSKMCNSOEEV-VHSXEESVSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@@H](CN(C)CC(=O)NC(N)=O)NC(=O)[C@@H]1CCCN1C ZINC001392644463 888726787 /nfs/dbraw/zinc/72/67/87/888726787.db2.gz VBVDXHUBPFQPLM-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cn1ccccc1=O)C(N)=O ZINC001392612995 888726839 /nfs/dbraw/zinc/72/68/39/888726839.db2.gz GGICMSJWLKPGNZ-VHSXEESVSA-N 0 3 280.328 -1.184 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001392641459 888727979 /nfs/dbraw/zinc/72/79/79/888727979.db2.gz ORKFOWIPKLLDMF-HBNTYKKESA-N 0 3 287.360 -1.291 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)Cn1ncnn1 ZINC001392657070 888728167 /nfs/dbraw/zinc/72/81/67/888728167.db2.gz MHPMTVWYADWUTP-ZJUUUORDSA-N 0 3 286.336 -1.883 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001392634837 888728194 /nfs/dbraw/zinc/72/81/94/888728194.db2.gz AVRWUIGGVHDXOC-ZJUUUORDSA-N 0 3 285.348 -1.128 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)c1cn(C)nn1 ZINC001392634833 888729167 /nfs/dbraw/zinc/72/91/67/888729167.db2.gz AVRWUIGGVHDXOC-UWVGGRQHSA-N 0 3 285.348 -1.128 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN(C)C[C@@H](O)COC ZINC001392661135 888729328 /nfs/dbraw/zinc/72/93/28/888729328.db2.gz SRPYEPTXDXLQQO-NXEZZACHSA-N 0 3 290.364 -1.641 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001392641453 888729552 /nfs/dbraw/zinc/72/95/52/888729552.db2.gz ORKFOWIPKLLDMF-GMTAPVOTSA-N 0 3 287.360 -1.291 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)CNCC(N)=O ZINC001392610566 888729763 /nfs/dbraw/zinc/72/97/63/888729763.db2.gz AQWAHCYYJTUCTQ-JGVFFNPUSA-N 0 3 273.337 -1.597 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001392704596 888732010 /nfs/dbraw/zinc/73/20/10/888732010.db2.gz WROAEYHWXCCYFJ-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](NC(=O)CNC(C)=O)C1CC1 ZINC001392770210 888736761 /nfs/dbraw/zinc/73/67/61/888736761.db2.gz UTJRZJTURCJQEX-KCJUWKMLSA-N 0 3 284.360 -1.259 20 0 CAADHN Cn1ncc(CCC(=O)N[C@H](CNCC(N)=O)C2CC2)n1 ZINC001392790564 888736291 /nfs/dbraw/zinc/73/62/91/888736291.db2.gz BZMUVKFNRHYPPU-LLVKDONJSA-N 0 3 294.359 -1.283 20 0 CAADHN CNC(=O)[C@H](C)N(C)C[C@@H](C)NC(=O)Cc1nnc[nH]1 ZINC001392727726 888736661 /nfs/dbraw/zinc/73/66/61/888736661.db2.gz UFZCTCPHBSLNCH-BDAKNGLRSA-N 0 3 282.348 -1.082 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001392743091 888736709 /nfs/dbraw/zinc/73/67/09/888736709.db2.gz RYPVCPUFYHIWLY-ZJUUUORDSA-N 0 3 272.349 -1.042 20 0 CAADHN Cn1cnc(C(=O)N[C@H](CN[C@H]2CCNC2=O)C2CC2)n1 ZINC001392777143 888736919 /nfs/dbraw/zinc/73/69/19/888736919.db2.gz SCJGRJWRFYJZQF-VHSXEESVSA-N 0 3 292.343 -1.198 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001392789902 888737047 /nfs/dbraw/zinc/73/70/47/888737047.db2.gz BUGZAQPYLLXKJA-VHSXEESVSA-N 0 3 297.359 -1.712 20 0 CAADHN O=C(Cn1ncnn1)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001392774625 888737654 /nfs/dbraw/zinc/73/76/54/888737654.db2.gz QYATYEOASNWSQW-NXEZZACHSA-N 0 3 293.331 -1.954 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)c1cnnn1C)C1CC1)C(N)=O ZINC001392776130 888737800 /nfs/dbraw/zinc/73/78/00/888737800.db2.gz OKBJPBUQBXQYBP-IONNQARKSA-N 0 3 280.332 -1.213 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001392759554 888737894 /nfs/dbraw/zinc/73/78/94/888737894.db2.gz HMUJLYVURLDXFY-NEPJUHHUSA-N 0 3 298.387 -1.453 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)[C@H]1COCCO1)C1CC1 ZINC001392756837 888737999 /nfs/dbraw/zinc/73/79/99/888737999.db2.gz FQMUPJXNYZXGTG-NWDGAFQWSA-N 0 3 299.371 -1.026 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)c1cnn(C)n1)C1CC1)C(N)=O ZINC001392796515 888740133 /nfs/dbraw/zinc/74/01/33/888740133.db2.gz JFOXDOXOMZDELT-VXNVDRBHSA-N 0 3 280.332 -1.213 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CCn1cnnn1)C1CC1 ZINC001392802151 888740470 /nfs/dbraw/zinc/74/04/70/888740470.db2.gz OTHRYVKQNYKOSB-SNVBAGLBSA-N 0 3 295.347 -1.706 20 0 CAADHN C[C@@]1(C(=O)N[C@H](CNCC(N)=O)C2CC2)CCC(=O)NC1 ZINC001392792539 888741089 /nfs/dbraw/zinc/74/10/89/888741089.db2.gz JZJFXRIWIQNHGG-QMTHXVAHSA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001392803631 888741625 /nfs/dbraw/zinc/74/16/25/888741625.db2.gz SMPPIEQBPGTFSU-ZJUUUORDSA-N 0 3 282.344 -1.375 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H]1CNC(=O)CCc1cn[nH]n1 ZINC001392855106 888743873 /nfs/dbraw/zinc/74/38/73/888743873.db2.gz XVHMPGLZBIUTOZ-NEPJUHHUSA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H]1CNC(=O)CCc1c[nH]nn1 ZINC001392855106 888743885 /nfs/dbraw/zinc/74/38/85/888743885.db2.gz XVHMPGLZBIUTOZ-NEPJUHHUSA-N 0 3 297.359 -1.065 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001393040443 888754356 /nfs/dbraw/zinc/75/43/56/888754356.db2.gz GUCFFVXMFSJFKV-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN COC[C@@H](O)CN1CC[C@@](C)(NC(=O)Cn2cnnn2)C1 ZINC001393098537 888754477 /nfs/dbraw/zinc/75/44/77/888754477.db2.gz SEPJZNZFEYJJSA-CMPLNLGQSA-N 0 3 298.347 -1.739 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H](C)CC(N)=O ZINC001393052381 888754852 /nfs/dbraw/zinc/75/48/52/888754852.db2.gz RXSCKFUVVHVENS-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001393035092 888754950 /nfs/dbraw/zinc/75/49/50/888754950.db2.gz ZKTCLYBKTVBJCM-VXGBXAGGSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)c1ncn(C)n1)C(N)=O ZINC001393044876 888755170 /nfs/dbraw/zinc/75/51/70/888755170.db2.gz RQMLNMONYSJFOJ-DTWKUNHWSA-N 0 3 280.332 -1.117 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H](C)CC(N)=O ZINC001393052383 888755620 /nfs/dbraw/zinc/75/56/20/888755620.db2.gz RXSCKFUVVHVENS-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CCNC1=O ZINC001393043666 888755670 /nfs/dbraw/zinc/75/56/70/888755670.db2.gz DFSKPVQJQWYXIC-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001393036708 888756096 /nfs/dbraw/zinc/75/60/96/888756096.db2.gz CFYGNTQVIBEODW-LPEHRKFASA-N 0 3 299.375 -1.371 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H](C)CC(N)=O ZINC001393052379 888756596 /nfs/dbraw/zinc/75/65/96/888756596.db2.gz RXSCKFUVVHVENS-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CN1CCCNC1=O ZINC001393045337 888756628 /nfs/dbraw/zinc/75/66/28/888756628.db2.gz HCTJYGMHJRCRTM-JTQLQIEISA-N 0 3 297.359 -1.532 20 0 CAADHN COC[C@@H](O)CN1CC[C@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001393112536 888757922 /nfs/dbraw/zinc/75/79/22/888757922.db2.gz BHQVKBWLLRDNGJ-MJVIPROJSA-N 0 3 299.371 -1.147 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cc2cnoc2)CCOCC1 ZINC001393216415 888758376 /nfs/dbraw/zinc/75/83/76/888758376.db2.gz ZRHAWMRFEIWAJT-UHFFFAOYSA-N 0 3 296.327 -1.043 20 0 CAADHN COC[C@@H](O)CN1CC[C@@](C)(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001393112531 888759427 /nfs/dbraw/zinc/75/94/27/888759427.db2.gz BHQVKBWLLRDNGJ-COPLHBTASA-N 0 3 299.371 -1.147 20 0 CAADHN Cn1cc(C(=O)NCC2(NCC(N)=O)CCOCC2)nn1 ZINC001393213760 888759706 /nfs/dbraw/zinc/75/97/06/888759706.db2.gz GLBCYLOTSGOQIQ-UHFFFAOYSA-N 0 3 296.331 -1.831 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CCOC2)CCOCC1 ZINC001393214283 888759731 /nfs/dbraw/zinc/75/97/31/888759731.db2.gz JTEICQHEGAYNQF-SNVBAGLBSA-N 0 3 285.344 -1.237 20 0 CAADHN C[C@@H](CC(=O)NC[C@@]1(O)CCN(CCO)C1)NC(N)=O ZINC001393249245 888762502 /nfs/dbraw/zinc/76/25/02/888762502.db2.gz LLXKJBWWNIGLGW-CABZTGNLSA-N 0 3 288.348 -2.021 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001393248239 888763480 /nfs/dbraw/zinc/76/34/80/888763480.db2.gz OGTCNGYACQMDBY-FZMZJTMJSA-N 0 3 299.371 -1.288 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001393248243 888763622 /nfs/dbraw/zinc/76/36/22/888763622.db2.gz OGTCNGYACQMDBY-SMDDNHRTSA-N 0 3 299.371 -1.288 20 0 CAADHN COC[C@H](O)CN1CC[C@](O)(CNC(=O)c2ccon2)C1 ZINC001393235732 888764307 /nfs/dbraw/zinc/76/43/07/888764307.db2.gz LSTYZOFPRPHOKW-MFKMUULPSA-N 0 3 299.327 -1.152 20 0 CAADHN COC[C@@H](O)CN1CC[C@](O)(CNC(=O)c2ccon2)C1 ZINC001393235708 888765021 /nfs/dbraw/zinc/76/50/21/888765021.db2.gz LSTYZOFPRPHOKW-GWCFXTLKSA-N 0 3 299.327 -1.152 20 0 CAADHN C[C@@H](O)CN1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001393271195 888766017 /nfs/dbraw/zinc/76/60/17/888766017.db2.gz AFWJWQDXQLECPY-KCJUWKMLSA-N 0 3 270.289 -1.383 20 0 CAADHN Cn1nnc(C(=O)NC[C@]2(O)CCN(CCCO)C2)n1 ZINC001393257093 888769071 /nfs/dbraw/zinc/76/90/71/888769071.db2.gz PJSCMHDVNPFLFT-LLVKDONJSA-N 0 3 284.320 -2.241 20 0 CAADHN Cn1cccc(C(=O)NC[C@@]2(O)CCN(CCO)C2)c1=O ZINC001393288050 888773603 /nfs/dbraw/zinc/77/36/03/888773603.db2.gz XHJGOFNSJBMZMQ-AWEZNQCLSA-N 0 3 295.339 -1.456 20 0 CAADHN C[C@H](C(N)=O)N1CC(O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001393315895 888776392 /nfs/dbraw/zinc/77/63/92/888776392.db2.gz IXJRZOCZFMOLBB-SNVBAGLBSA-N 0 3 298.387 -1.493 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)CNC(N)=O ZINC001393349691 888783145 /nfs/dbraw/zinc/78/31/45/888783145.db2.gz IXLKXHIXUBUWGA-SNVBAGLBSA-N 0 3 299.375 -1.288 20 0 CAADHN CO[C@H](C(=O)N(CCO)CCN[C@@H]1CCNC1=O)C1CC1 ZINC001393459304 888786060 /nfs/dbraw/zinc/78/60/60/888786060.db2.gz PGYNHAXKEIQGMX-NEPJUHHUSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@H]1CCOC1)C(N)=O ZINC001393458087 888786807 /nfs/dbraw/zinc/78/68/07/888786807.db2.gz FLXXHDPAKWNKGF-NXEZZACHSA-N 0 3 273.333 -1.693 20 0 CAADHN Cn1nnc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)n1 ZINC001393465440 888787198 /nfs/dbraw/zinc/78/71/98/888787198.db2.gz WETVOTZUBMUFJG-MRVPVSSYSA-N 0 3 297.319 -2.877 20 0 CAADHN Cn1cc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)cn1 ZINC001393458597 888787355 /nfs/dbraw/zinc/78/73/55/888787355.db2.gz GUPMICWMLRGZII-NSHDSACASA-N 0 3 295.343 -1.667 20 0 CAADHN CCn1nccc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001393452040 888787481 /nfs/dbraw/zinc/78/74/81/888787481.db2.gz BQODNNVPDNQNHD-JTQLQIEISA-N 0 3 297.359 -1.199 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ccccn1)C(N)=O ZINC001393456108 888787822 /nfs/dbraw/zinc/78/78/22/888787822.db2.gz CZELVVFLRWMYGZ-JTQLQIEISA-N 0 3 280.328 -1.021 20 0 CAADHN CCN1CCC[C@@](CO)(NC(=O)CN2CCOCC2=O)C1 ZINC001393458814 888787797 /nfs/dbraw/zinc/78/77/97/888787797.db2.gz ZCTKDSLMNYHSEV-CQSZACIVSA-N 0 3 299.371 -1.192 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cn1cccn1)C(N)=O ZINC001393454345 888787902 /nfs/dbraw/zinc/78/79/02/888787902.db2.gz AEIXFRLSVVQJHV-JTQLQIEISA-N 0 3 283.332 -1.833 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001393466978 888788068 /nfs/dbraw/zinc/78/80/68/888788068.db2.gz FKOHCVJNQJAKMB-BDAKNGLRSA-N 0 3 286.332 -2.451 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1ccncn1)C(N)=O ZINC001393470415 888789530 /nfs/dbraw/zinc/78/95/30/888789530.db2.gz SIVQPUFHUTXOGQ-JTQLQIEISA-N 0 3 295.343 -1.235 20 0 CAADHN CN1C[C@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)CC1=O ZINC001393520168 888790258 /nfs/dbraw/zinc/79/02/58/888790258.db2.gz WQKXBZVTXAHMHX-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1ccn(C)n1)C(N)=O ZINC001393477021 888790280 /nfs/dbraw/zinc/79/02/80/888790280.db2.gz DITKFDUPZLNIMZ-SNVBAGLBSA-N 0 3 297.359 -1.292 20 0 CAADHN CN1C[C@@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)CC1=O ZINC001393520169 888791108 /nfs/dbraw/zinc/79/11/08/888791108.db2.gz WQKXBZVTXAHMHX-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)NCC(=O)NCC1(NCC(=O)N2CCC2)CCC1 ZINC001393528527 888790942 /nfs/dbraw/zinc/79/09/42/888790942.db2.gz VRSNDKDGYZMBTJ-UHFFFAOYSA-N 0 3 296.371 -1.017 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cncn2C)CCO1)C(N)=O ZINC001393578745 888793580 /nfs/dbraw/zinc/79/35/80/888793580.db2.gz XGBVXVLBZZRAQW-UWVGGRQHSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cncn2C)CCO1)C(N)=O ZINC001393578749 888793674 /nfs/dbraw/zinc/79/36/74/888793674.db2.gz XGBVXVLBZZRAQW-VHSXEESVSA-N 0 3 295.343 -1.276 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001393579823 888793918 /nfs/dbraw/zinc/79/39/18/888793918.db2.gz LLPLSJMXUXZMGO-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001393579409 888793999 /nfs/dbraw/zinc/79/39/99/888793999.db2.gz OKCXBUFYIUFTCA-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cncn2C)CCO1)C(N)=O ZINC001393578741 888794070 /nfs/dbraw/zinc/79/40/70/888794070.db2.gz XGBVXVLBZZRAQW-NXEZZACHSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)CC2(O)CCC2)CCO1)C(N)=O ZINC001393577413 888794244 /nfs/dbraw/zinc/79/42/44/888794244.db2.gz ISSMDPZBXCCNIR-MNOVXSKESA-N 0 3 299.371 -1.018 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCOC2)CCO1 ZINC001393579821 888794380 /nfs/dbraw/zinc/79/43/80/888794380.db2.gz LLPLSJMXUXZMGO-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CCn2cncn2)CCO1 ZINC001393572936 888794491 /nfs/dbraw/zinc/79/44/91/888794491.db2.gz WYYOOUYLNIKJTL-JTQLQIEISA-N 0 3 296.331 -2.030 20 0 CAADHN Cc1nc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)c[nH]1 ZINC001393581812 888794660 /nfs/dbraw/zinc/79/46/60/888794660.db2.gz OFKMEMCUOAYWAQ-VIFPVBQESA-N 0 3 281.316 -1.366 20 0 CAADHN CCOCC(=O)N1CCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001393571557 888794708 /nfs/dbraw/zinc/79/47/08/888794708.db2.gz MTTUWVIXHAECHW-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CCn1nncc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001393582049 888795091 /nfs/dbraw/zinc/79/50/91/888795091.db2.gz TVAUKIRXQKJGKD-VIFPVBQESA-N 0 3 296.331 -1.786 20 0 CAADHN COCCC(=O)N1CCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001393570105 888795205 /nfs/dbraw/zinc/79/52/05/888795205.db2.gz LXITUVPRHYMJFV-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)cnn1 ZINC001393578042 888795308 /nfs/dbraw/zinc/79/53/08/888795308.db2.gz JKLFSPWVPKSJFF-LLVKDONJSA-N 0 3 293.327 -1.299 20 0 CAADHN CCOCC(=O)N1CCO[C@H](CN[C@H](C)C(=O)NC)C1 ZINC001393572395 888795367 /nfs/dbraw/zinc/79/53/67/888795367.db2.gz QZNUPRPVEMBBCF-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)COCC)CCO1 ZINC001393571541 888795488 /nfs/dbraw/zinc/79/54/88/888795488.db2.gz MOPNTYJJSZDQHV-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001393581774 888795559 /nfs/dbraw/zinc/79/55/59/888795559.db2.gz OBXSGTFODVIXKR-VIFPVBQESA-N 0 3 281.316 -1.414 20 0 CAADHN CC1(C(=O)N2CCO[C@H](CNCC(=O)NC(N)=O)C2)CC1 ZINC001393575881 888795770 /nfs/dbraw/zinc/79/57/70/888795770.db2.gz DQIFBAOJTSEGPT-SECBINFHSA-N 0 3 298.343 -1.202 20 0 CAADHN CCOCC(=O)N1CCO[C@@H](CN[C@H](C)C(=O)NC)C1 ZINC001393572396 888795942 /nfs/dbraw/zinc/79/59/42/888795942.db2.gz QZNUPRPVEMBBCF-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CC(=O)N(C)C2)CCC1 ZINC001393549135 888796014 /nfs/dbraw/zinc/79/60/14/888796014.db2.gz ZFBRBXRVFQMRND-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN Cn1cncc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001393574980 888796035 /nfs/dbraw/zinc/79/60/35/888796035.db2.gz KCADWYCFAUKXHI-SECBINFHSA-N 0 3 281.316 -1.664 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CCC1 ZINC001393552752 888796117 /nfs/dbraw/zinc/79/61/17/888796117.db2.gz WYCXVSHOYYNUEB-BDAKNGLRSA-N 0 3 282.344 -1.388 20 0 CAADHN CC1(C(=O)N2CCO[C@@H](CNCC(=O)NC(N)=O)C2)CC1 ZINC001393575883 888796164 /nfs/dbraw/zinc/79/61/64/888796164.db2.gz DQIFBAOJTSEGPT-VIFPVBQESA-N 0 3 298.343 -1.202 20 0 CAADHN CCOCC(=O)N1CCO[C@@H](CN[C@@H](C)C(N)=O)C1 ZINC001393571556 888796206 /nfs/dbraw/zinc/79/62/06/888796206.db2.gz MTTUWVIXHAECHW-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN COCCC(=O)N1CCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001393570092 888796246 /nfs/dbraw/zinc/79/62/46/888796246.db2.gz LXITUVPRHYMJFV-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001393577525 888796336 /nfs/dbraw/zinc/79/63/36/888796336.db2.gz GXIXNTNVIYBNNP-JTQLQIEISA-N 0 3 286.332 -2.233 20 0 CAADHN Cn1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)cn1 ZINC001393571737 888796366 /nfs/dbraw/zinc/79/63/66/888796366.db2.gz NJAORZDORIIGHB-JTQLQIEISA-N 0 3 281.316 -1.664 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001393573984 888796382 /nfs/dbraw/zinc/79/63/82/888796382.db2.gz GCGAQIQFPWOBFE-IUCAKERBSA-N 0 3 286.332 -2.200 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2nonc2C)CCO1 ZINC001393584848 888796429 /nfs/dbraw/zinc/79/64/29/888796429.db2.gz GXONPVUCRGCWFA-VIFPVBQESA-N 0 3 297.315 -1.445 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)C2CCOCC2)CCO1 ZINC001393571511 888796517 /nfs/dbraw/zinc/79/65/17/888796517.db2.gz MJHACZAFCHSBEO-GFCCVEGCSA-N 0 3 299.371 -1.024 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001393579410 888796724 /nfs/dbraw/zinc/79/67/24/888796724.db2.gz OKCXBUFYIUFTCA-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1C ZINC001393727232 888800059 /nfs/dbraw/zinc/80/00/59/888800059.db2.gz AMACXMQBUOBOPS-WDEREUQCSA-N 0 3 294.359 -1.149 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CCCO2)CCO1 ZINC001393589962 888800920 /nfs/dbraw/zinc/80/09/20/888800920.db2.gz XYTLAJYFHQMTNM-GHMZBOCLSA-N 0 3 285.344 -1.142 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cccnn2)CCO1 ZINC001393591143 888800981 /nfs/dbraw/zinc/80/09/81/888800981.db2.gz VCXDLAIECNBHIX-SNVBAGLBSA-N 0 3 293.327 -1.347 20 0 CAADHN COC1CC(C(=O)N2CCC(O)(CNCC(N)=O)CC2)C1 ZINC001393769351 888801808 /nfs/dbraw/zinc/80/18/08/888801808.db2.gz AKNMFTXBUUPSHL-UHFFFAOYSA-N 0 3 299.371 -1.160 20 0 CAADHN CNC(=O)CCCC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001393742127 888802082 /nfs/dbraw/zinc/80/20/82/888802082.db2.gz MSYGPSQITAWPHK-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCOCC(=O)N1CCC(O)(CN[C@@H]2CCNC2=O)CC1 ZINC001393759624 888802706 /nfs/dbraw/zinc/80/27/06/888802706.db2.gz CNTAUVCOZRJXDH-LLVKDONJSA-N 0 3 299.371 -1.146 20 0 CAADHN CCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001393747070 888803975 /nfs/dbraw/zinc/80/39/75/888803975.db2.gz WLQMCEZDXCJIGY-BDAKNGLRSA-N 0 3 291.373 -1.657 20 0 CAADHN CCOCC(=O)N1CCC(O)(CN[C@H]2CCNC2=O)CC1 ZINC001393759625 888804499 /nfs/dbraw/zinc/80/44/99/888804499.db2.gz CNTAUVCOZRJXDH-NSHDSACASA-N 0 3 299.371 -1.146 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001393774760 888804526 /nfs/dbraw/zinc/80/45/26/888804526.db2.gz AQSMQQVFNVKIHR-IAZYJMLFSA-N 0 3 297.355 -1.693 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001393740572 888804639 /nfs/dbraw/zinc/80/46/39/888804639.db2.gz BVKWKAABJRDKJA-JGVFFNPUSA-N 0 3 271.321 -2.163 20 0 CAADHN CCS(=O)(=O)CC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001393747073 888805121 /nfs/dbraw/zinc/80/51/21/888805121.db2.gz WLQMCEZDXCJIGY-DTWKUNHWSA-N 0 3 291.373 -1.657 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C ZINC001393728770 888805286 /nfs/dbraw/zinc/80/52/86/888805286.db2.gz JIBHCVUPCGCKFL-SCZZXKLOSA-N 0 3 293.327 -1.022 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001393926944 888805890 /nfs/dbraw/zinc/80/58/90/888805890.db2.gz GTSPZKZPGFOEDW-JGVFFNPUSA-N 0 3 282.348 -1.155 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1nccnc1N ZINC001393918089 888806464 /nfs/dbraw/zinc/80/64/64/888806464.db2.gz HYQKKMNMAWQHHL-HTQZYQBOSA-N 0 3 280.332 -1.099 20 0 CAADHN Cn1c(C(=O)NC2(CO)CCN(CCO)CC2)c[nH]c1=O ZINC001393845335 888806622 /nfs/dbraw/zinc/80/66/22/888806622.db2.gz VXPYBTHOOCZMOJ-UHFFFAOYSA-N 0 3 298.343 -1.325 20 0 CAADHN CN(CCO)C[C@H]1CCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001393887657 888807291 /nfs/dbraw/zinc/80/72/91/888807291.db2.gz YDOXTFUPLOCLAZ-MNOVXSKESA-N 0 3 284.360 -1.075 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)[C@@H](C)NCCS(C)(=O)=O ZINC001393921310 888807645 /nfs/dbraw/zinc/80/76/45/888807645.db2.gz WDRCQFNJPVKVJO-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN O=C(Cn1cnnn1)NC1(CO)CCN(CCCO)CC1 ZINC001393836694 888808075 /nfs/dbraw/zinc/80/80/75/888808075.db2.gz WBNAFXGHAWNVQP-UHFFFAOYSA-N 0 3 298.347 -2.001 20 0 CAADHN CN(CCO)C[C@H]1CCCN1C(=O)[C@H]1CN(C)C(=O)N1 ZINC001393887656 888808475 /nfs/dbraw/zinc/80/84/75/888808475.db2.gz YDOXTFUPLOCLAZ-GHMZBOCLSA-N 0 3 284.360 -1.075 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1nccnc1N ZINC001393918112 888808779 /nfs/dbraw/zinc/80/87/79/888808779.db2.gz HYQKKMNMAWQHHL-YUMQZZPRSA-N 0 3 280.332 -1.099 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1ncc[nH]1 ZINC001393928351 888808810 /nfs/dbraw/zinc/80/88/10/888808810.db2.gz GPQAYZMVDKYIRZ-JGVFFNPUSA-N 0 3 296.331 -1.038 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CNC(=O)OC ZINC001393938307 888810516 /nfs/dbraw/zinc/81/05/16/888810516.db2.gz ZIVLLXPVKJHODG-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cccnn1 ZINC001393978884 888810347 /nfs/dbraw/zinc/81/03/47/888810347.db2.gz ZJXUOBITYDJDBQ-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1cccnn1 ZINC001393978880 888811169 /nfs/dbraw/zinc/81/11/69/888811169.db2.gz ZJXUOBITYDJDBQ-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001393942790 888811290 /nfs/dbraw/zinc/81/12/90/888811290.db2.gz DJBWBKCEUIIETE-SFYZADRCSA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cccnn1 ZINC001393978886 888811383 /nfs/dbraw/zinc/81/13/83/888811383.db2.gz ZJXUOBITYDJDBQ-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)N(C)CCO ZINC001394077020 888811874 /nfs/dbraw/zinc/81/18/74/888811874.db2.gz DIOUXLXFZGPBPY-VIFPVBQESA-N 0 3 271.321 -1.989 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)N(C)CCO ZINC001394063793 888812132 /nfs/dbraw/zinc/81/21/32/888812132.db2.gz XFRVJDQDDIOFID-QMMMGPOBSA-N 0 3 284.320 -2.194 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001394064849 888813505 /nfs/dbraw/zinc/81/35/05/888813505.db2.gz OEYYYWGFJNRDRF-UTLUCORTSA-N 0 3 290.364 -1.513 20 0 CAADHN CCC[C@@H](C(=O)NC[C@H](C)N(C)CCO)S(N)(=O)=O ZINC001394089667 888814001 /nfs/dbraw/zinc/81/40/01/888814001.db2.gz AFOXUWHVIPGLBB-UWVGGRQHSA-N 0 3 295.405 -1.128 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)CCn1cncn1 ZINC001394048985 888814712 /nfs/dbraw/zinc/81/47/12/888814712.db2.gz ZSFGKDPDNALZDH-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCN1C)N(C)CC(=O)NC(N)=O ZINC001394043787 888814751 /nfs/dbraw/zinc/81/47/51/888814751.db2.gz NOWFUDFIQCMBEL-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001394064814 888814806 /nfs/dbraw/zinc/81/48/06/888814806.db2.gz OEYYYWGFJNRDRF-GUBZILKMSA-N 0 3 290.364 -1.513 20 0 CAADHN CCC[C@H](C(=O)NC[C@H](C)N(C)CCO)S(N)(=O)=O ZINC001394089671 888814901 /nfs/dbraw/zinc/81/49/01/888814901.db2.gz AFOXUWHVIPGLBB-VHSXEESVSA-N 0 3 295.405 -1.128 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)c1cn(C)nn1 ZINC001394067679 888814928 /nfs/dbraw/zinc/81/49/28/888814928.db2.gz PXWQNACUEFGXDE-NXEZZACHSA-N 0 3 285.348 -1.128 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)CCn1cncn1 ZINC001394048982 888814933 /nfs/dbraw/zinc/81/49/33/888814933.db2.gz ZSFGKDPDNALZDH-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)N(C)CCn1cncn1 ZINC001394107258 888816009 /nfs/dbraw/zinc/81/60/09/888816009.db2.gz ZPTLMQCYBMWVPU-NXEZZACHSA-N 0 3 295.347 -1.604 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)N(C)CCO ZINC001394114295 888816622 /nfs/dbraw/zinc/81/66/22/888816622.db2.gz IYUZBQPXWTYZKP-YUMQZZPRSA-N 0 3 272.305 -1.987 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CN(C)C(C)=O ZINC001394468119 888829086 /nfs/dbraw/zinc/82/90/86/888829086.db2.gz KPRPRMJVBJIJEV-VIFPVBQESA-N 0 3 272.349 -1.353 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)CCn1cncn1 ZINC001394131619 888817454 /nfs/dbraw/zinc/81/74/54/888817454.db2.gz ZSFGKDPDNALZDH-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)N(C)CCn1cncn1 ZINC001394107259 888817573 /nfs/dbraw/zinc/81/75/73/888817573.db2.gz ZPTLMQCYBMWVPU-UWVGGRQHSA-N 0 3 295.347 -1.604 20 0 CAADHN COC[C@H](C)N[C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001394582090 888846516 /nfs/dbraw/zinc/84/65/16/888846516.db2.gz ZQHUWIOUAQGWAH-DTWKUNHWSA-N 0 3 282.362 -1.867 20 0 CAADHN CCCN(C)CC(=O)NC1(CCO)CN(CCO)C1 ZINC001394165719 888822469 /nfs/dbraw/zinc/82/24/69/888822469.db2.gz FOQOVKRHOXDWAI-UHFFFAOYSA-N 0 3 273.377 -1.127 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001394340723 888825711 /nfs/dbraw/zinc/82/57/11/888825711.db2.gz VUYVMSRWDYUQDB-WDEREUQCSA-N 0 3 295.343 -1.426 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)Cc2cnoc2)CCO1 ZINC001394330174 888826982 /nfs/dbraw/zinc/82/69/82/888826982.db2.gz JVRYFPQRRLGLLA-ONGXEEELSA-N 0 3 296.327 -1.092 20 0 CAADHN C[C@H](O)CN1CC([C@H](C)NC(=O)CN2CCNC(=O)C2)C1 ZINC001394249917 888827501 /nfs/dbraw/zinc/82/75/01/888827501.db2.gz WJRZBHZTAZQPLC-QWRGUYRKSA-N 0 3 298.387 -1.765 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cnnn1)N[C@@H]1CCCNC1=O ZINC001394470902 888828263 /nfs/dbraw/zinc/82/82/63/888828263.db2.gz XQWXSTPBPQTYIQ-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CN(C(=O)c1cnn(C)n1)[C@H](CNCC(N)=O)C1CC1 ZINC001394447137 888828592 /nfs/dbraw/zinc/82/85/92/888828592.db2.gz GXCJOYACQYGAKV-SNVBAGLBSA-N 0 3 280.332 -1.259 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H]1CCNC1=O ZINC001394504008 888828840 /nfs/dbraw/zinc/82/88/40/888828840.db2.gz OUQRRAQXTSQGJJ-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@H](CN(C)C(=O)c1nccnc1N)N[C@H](C)C(N)=O ZINC001394470207 888829546 /nfs/dbraw/zinc/82/95/46/888829546.db2.gz RBPRGFJJPHYEGJ-HTQZYQBOSA-N 0 3 280.332 -1.017 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CS(C)(=O)=O ZINC001394484708 888829165 /nfs/dbraw/zinc/82/91/65/888829165.db2.gz YUTMXTBSKOJCMR-DTWKUNHWSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](CN(C)C(=O)c1nnn(C)n1)N[C@@H](C)C(=O)N(C)C ZINC001394509086 888829583 /nfs/dbraw/zinc/82/95/83/888829583.db2.gz SZXJKLHDRDYJNP-BDAKNGLRSA-N 0 3 297.363 -1.263 20 0 CAADHN CN(C(=O)[C@H]1CCC(=O)NC1)[C@@H](CNCC(N)=O)C1CC1 ZINC001394429730 888829925 /nfs/dbraw/zinc/82/99/25/888829925.db2.gz GPDBXPPRLBPBCL-QWRGUYRKSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cnnn1)N[C@H]1CCCNC1=O ZINC001394470907 888830176 /nfs/dbraw/zinc/83/01/76/888830176.db2.gz XQWXSTPBPQTYIQ-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001394495036 888830232 /nfs/dbraw/zinc/83/02/32/888830232.db2.gz DPAHEDXBGBXUAB-UWVGGRQHSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncnn1)NCC(=O)N1CCC1 ZINC001394483426 888830379 /nfs/dbraw/zinc/83/03/79/888830379.db2.gz KETLSYSXSOFTCR-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001394492943 888830408 /nfs/dbraw/zinc/83/04/08/888830408.db2.gz HRQRBCIWFOKXBO-RKDXNWHRSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)NCC(N)=O ZINC001394507303 888830880 /nfs/dbraw/zinc/83/08/80/888830880.db2.gz IARDNYIVBKLZBR-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)NCC(N)=O ZINC001394507307 888830940 /nfs/dbraw/zinc/83/09/40/888830940.db2.gz IARDNYIVBKLZBR-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1cnc[n-]c1=O ZINC001394494082 888831189 /nfs/dbraw/zinc/83/11/89/888831189.db2.gz GVSPINMTWNDURJ-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncnn1)NCC(=O)N1CCC1 ZINC001394483424 888831271 /nfs/dbraw/zinc/83/12/71/888831271.db2.gz KETLSYSXSOFTCR-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN CC[C@H](N[C@@H](C)CN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001394507694 888831313 /nfs/dbraw/zinc/83/13/13/888831313.db2.gz RBGMVROAAFBVKT-YUMQZZPRSA-N 0 3 283.336 -1.476 20 0 CAADHN CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@H](CNCC(N)=O)C1CC1 ZINC001394441770 888831495 /nfs/dbraw/zinc/83/14/95/888831495.db2.gz JWCYMCMNVYLWRR-KXUCPTDWSA-N 0 3 282.344 -1.580 20 0 CAADHN CC[C@@H](N[C@@H](C)CN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001394507690 888831558 /nfs/dbraw/zinc/83/15/58/888831558.db2.gz RBGMVROAAFBVKT-JGVFFNPUSA-N 0 3 283.336 -1.476 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NCC(=O)NC(N)=O ZINC001394458362 888831596 /nfs/dbraw/zinc/83/15/96/888831596.db2.gz CWAPYAWKTNBPNN-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@H](C)NCC(=O)N(C)C)C1 ZINC001394470365 888832189 /nfs/dbraw/zinc/83/21/89/888832189.db2.gz VCHBLXWGNAZIEN-JTQLQIEISA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@H](CN(C)C(=O)c1cccnn1)NCC(=O)NC(N)=O ZINC001394532289 888833082 /nfs/dbraw/zinc/83/30/82/888833082.db2.gz MIUSBHUWIDTZHX-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001394541088 888833225 /nfs/dbraw/zinc/83/32/25/888833225.db2.gz NARRHLNQEXGLBT-ZJUUUORDSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnn(C)n1)NCC(=O)NC(N)=O ZINC001394546034 888833555 /nfs/dbraw/zinc/83/35/55/888833555.db2.gz LKNWCVTWVIAFNR-SSDOTTSWSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCCNC1=O)N[C@H](C)C(N)=O ZINC001394516711 888834136 /nfs/dbraw/zinc/83/41/36/888834136.db2.gz ZHDALIJZGUAHOT-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)NCC(N)=O ZINC001394548497 888834805 /nfs/dbraw/zinc/83/48/05/888834805.db2.gz WUCZTDGLDKCHBL-SSDOTTSWSA-N 0 3 281.316 -1.351 20 0 CAADHN CC(=O)NC[C@H](CO)NCC1(CS(C)(=O)=O)CC1 ZINC001394567323 888835120 /nfs/dbraw/zinc/83/51/20/888835120.db2.gz YRDPXVCKNGPSMX-SNVBAGLBSA-N 0 3 278.374 -1.102 20 0 CAADHN COCC(=O)NC[C@@H](CO)NCc1ccn(C)c(=O)c1 ZINC001394561174 888835312 /nfs/dbraw/zinc/83/53/12/888835312.db2.gz GDSYCLPTERJLDX-NSHDSACASA-N 0 3 283.328 -1.402 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cncn1)N[C@H]1CCN(C)C1=O ZINC001394558151 888835607 /nfs/dbraw/zinc/83/56/07/888835607.db2.gz VDSFCVOWNIKLTJ-MNOVXSKESA-N 0 3 294.359 -1.055 20 0 CAADHN C[C@@H](CN(C)C(=O)CNS(=O)(=O)N(C)C)NCCF ZINC001394533124 888835867 /nfs/dbraw/zinc/83/58/67/888835867.db2.gz QPDHMDFMRVJXIY-VIFPVBQESA-N 0 3 298.384 -1.212 20 0 CAADHN COCC(=O)NC[C@H](CO)NCc1ccn(C)c(=O)c1 ZINC001394561173 888836931 /nfs/dbraw/zinc/83/69/31/888836931.db2.gz GDSYCLPTERJLDX-LLVKDONJSA-N 0 3 283.328 -1.402 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)N[C@H](C)C(N)=O ZINC001394570209 888839550 /nfs/dbraw/zinc/83/95/50/888839550.db2.gz YNWSRSNKOKBZDL-RKDXNWHRSA-N 0 3 297.359 -1.352 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](CO)NCCn2cncn2)cn1 ZINC001394572952 888840067 /nfs/dbraw/zinc/84/00/67/888840067.db2.gz HHDFJVBOYFBWSB-NSHDSACASA-N 0 3 293.331 -1.608 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)c1cn[nH]c1 ZINC001394571609 888840575 /nfs/dbraw/zinc/84/05/75/888840575.db2.gz JHAPWJJJAHXNLO-JTQLQIEISA-N 0 3 296.331 -1.885 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)N[C@@H](C)C(N)=O ZINC001394570202 888840843 /nfs/dbraw/zinc/84/08/43/888840843.db2.gz YNWSRSNKOKBZDL-IUCAKERBSA-N 0 3 297.359 -1.352 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)N[C@@H](C)C(N)=O ZINC001394570186 888841155 /nfs/dbraw/zinc/84/11/55/888841155.db2.gz YNWSRSNKOKBZDL-BDAKNGLRSA-N 0 3 297.359 -1.352 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](CO)NCc1ccn(C)c(=O)c1 ZINC001394577977 888843485 /nfs/dbraw/zinc/84/34/85/888843485.db2.gz QTJARIZXTOWLKV-PWSUYJOCSA-N 0 3 297.355 -1.013 20 0 CAADHN O=C(CCc1nnc[nH]1)NC[C@H](CO)N[C@H]1CCNC1=O ZINC001394578133 888843892 /nfs/dbraw/zinc/84/38/92/888843892.db2.gz JXLMFNKYISWJQI-BDAKNGLRSA-N 0 3 296.331 -2.308 20 0 CAADHN O=C(CCc1nnc[nH]1)NC[C@@H](CO)N[C@H]1CCNC1=O ZINC001394578227 888845413 /nfs/dbraw/zinc/84/54/13/888845413.db2.gz JXLMFNKYISWJQI-IUCAKERBSA-N 0 3 296.331 -2.308 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001394580810 888847111 /nfs/dbraw/zinc/84/71/11/888847111.db2.gz PPDFVHQKZWDSBW-MRVPVSSYSA-N 0 3 284.320 -2.450 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001394581283 888847722 /nfs/dbraw/zinc/84/77/22/888847722.db2.gz NNZUKKIZUUCVRI-WDEREUQCSA-N 0 3 285.348 -1.638 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001394580812 888848069 /nfs/dbraw/zinc/84/80/69/888848069.db2.gz PPDFVHQKZWDSBW-QMMMGPOBSA-N 0 3 284.320 -2.450 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@@H](CO)NCc2cnon2)C1 ZINC001394632835 888865204 /nfs/dbraw/zinc/86/52/04/888865204.db2.gz IPOHYRFOCZNBPR-PWSUYJOCSA-N 0 3 297.359 -1.022 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1csnn1 ZINC001394621653 888867233 /nfs/dbraw/zinc/86/72/33/888867233.db2.gz YFJFHKBEHHMEOC-QMMMGPOBSA-N 0 3 297.344 -1.490 20 0 CAADHN CC1CCN(CC(=O)NC[C@H](CO)NCC(N)=O)CC1 ZINC001394640634 888869374 /nfs/dbraw/zinc/86/93/74/888869374.db2.gz DVJDCYJZZSOOAS-LLVKDONJSA-N 0 3 286.376 -1.730 20 0 CAADHN CC1CCN(CC(=O)NC[C@@H](CO)NCC(N)=O)CC1 ZINC001394640647 888871493 /nfs/dbraw/zinc/87/14/93/888871493.db2.gz DVJDCYJZZSOOAS-NSHDSACASA-N 0 3 286.376 -1.730 20 0 CAADHN Cc1nccnc1CN[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001394653126 888872428 /nfs/dbraw/zinc/87/24/28/888872428.db2.gz QRUSGAURAJLCOY-SECBINFHSA-N 0 3 291.315 -1.216 20 0 CAADHN Cc1nccnc1CN[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001394653126 888872447 /nfs/dbraw/zinc/87/24/47/888872447.db2.gz QRUSGAURAJLCOY-SECBINFHSA-N 0 3 291.315 -1.216 20 0 CAADHN Cc1nccnc1CN[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001394653129 888872891 /nfs/dbraw/zinc/87/28/91/888872891.db2.gz QRUSGAURAJLCOY-VIFPVBQESA-N 0 3 291.315 -1.216 20 0 CAADHN Cc1nccnc1CN[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001394653129 888872911 /nfs/dbraw/zinc/87/29/11/888872911.db2.gz QRUSGAURAJLCOY-VIFPVBQESA-N 0 3 291.315 -1.216 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CNC(=O)C1CC1 ZINC001394662537 888877461 /nfs/dbraw/zinc/87/74/61/888877461.db2.gz IFRGSGDGNOWNEI-SCZZXKLOSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)OC)[C@@H]1C ZINC001394663177 888878459 /nfs/dbraw/zinc/87/84/59/888878459.db2.gz LJKWTQUDTGOYLG-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)Cn1ncnn1 ZINC001394689919 888878601 /nfs/dbraw/zinc/87/86/01/888878601.db2.gz WVRMZRHJGSARTN-ZJUUUORDSA-N 0 3 295.347 -1.660 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001394670555 888878842 /nfs/dbraw/zinc/87/88/42/888878842.db2.gz YHPQVTJXZRJLPG-HTQZYQBOSA-N 0 3 272.305 -1.593 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](NCC(=O)N(C)C)C[C@@H]1C ZINC001394673535 888878975 /nfs/dbraw/zinc/87/89/75/888878975.db2.gz LAGONCNHZKRJSH-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001394670556 888879243 /nfs/dbraw/zinc/87/92/43/888879243.db2.gz YHPQVTJXZRJLPG-JGVFFNPUSA-N 0 3 272.305 -1.593 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)OC)[C@@H]1C ZINC001394663171 888879405 /nfs/dbraw/zinc/87/94/05/888879405.db2.gz LJKWTQUDTGOYLG-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)Cn1cncn1 ZINC001394666189 888879429 /nfs/dbraw/zinc/87/94/29/888879429.db2.gz FSXHNMDTVMJKEC-WDEREUQCSA-N 0 3 294.359 -1.055 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)Cn2cnnn2)C1 ZINC001394672182 888879514 /nfs/dbraw/zinc/87/95/14/888879514.db2.gz JIUWSXWVLYHLFG-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)Cn2cnnn2)C1 ZINC001394672186 888879534 /nfs/dbraw/zinc/87/95/34/888879534.db2.gz JIUWSXWVLYHLFG-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)n2)[C@@H]1C ZINC001394664814 888879601 /nfs/dbraw/zinc/87/96/01/888879601.db2.gz CGBWMHIAYACPQH-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)Cn1ncnn1 ZINC001394662992 888880057 /nfs/dbraw/zinc/88/00/57/888880057.db2.gz KHROFNOTUKVEGT-VHSXEESVSA-N 0 3 295.347 -1.660 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001394726091 888881817 /nfs/dbraw/zinc/88/18/17/888881817.db2.gz FJKDLNXJCRQVBW-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001394731004 888882068 /nfs/dbraw/zinc/88/20/68/888882068.db2.gz ALKJTEFQEXBEQL-DTWKUNHWSA-N 0 3 299.335 -2.654 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C(C)(F)F ZINC001394723715 888882252 /nfs/dbraw/zinc/88/22/52/888882252.db2.gz NILFPCMRLMKBLA-YUMQZZPRSA-N 0 3 279.287 -1.061 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1)C(N)=O ZINC001394720397 888882420 /nfs/dbraw/zinc/88/24/20/888882420.db2.gz NVKFQOHATSXLDJ-WCBMZHEXSA-N 0 3 283.332 -1.684 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)[nH]n1 ZINC001394727982 888882462 /nfs/dbraw/zinc/88/24/62/888882462.db2.gz OAHXTCCPTRNPTK-WCBMZHEXSA-N 0 3 297.359 -1.132 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCCNC1=O)C(=O)c1cocn1 ZINC001394727796 888882779 /nfs/dbraw/zinc/88/27/79/888882779.db2.gz CHKYIGBIJIQXLJ-NXEZZACHSA-N 0 3 296.327 -1.024 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@@H](C)OC ZINC001394727860 888883054 /nfs/dbraw/zinc/88/30/54/888883054.db2.gz DGXPGLDWYOBNLB-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C1CCOCC1 ZINC001394720408 888883492 /nfs/dbraw/zinc/88/34/92/888883492.db2.gz CERAGLAHBKCLBX-LLVKDONJSA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)C(F)F ZINC001394726688 888883589 /nfs/dbraw/zinc/88/35/89/888883589.db2.gz YOOIUEBTELAWLW-QMMMGPOBSA-N 0 3 279.287 -1.107 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cccn1C ZINC001394729773 888883660 /nfs/dbraw/zinc/88/36/60/888883660.db2.gz RFRUPZLDIFTYLF-SNVBAGLBSA-N 0 3 282.344 -1.206 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCCNC1=O)C(=O)c1cn[nH]c1 ZINC001394727144 888883687 /nfs/dbraw/zinc/88/36/87/888883687.db2.gz LOKCNARYULMNCN-GHMZBOCLSA-N 0 3 295.343 -1.289 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)Cn1cccn1)C(N)=O ZINC001394727911 888883728 /nfs/dbraw/zinc/88/37/28/888883728.db2.gz LJDOUBAFUPKQLE-MNOVXSKESA-N 0 3 297.359 -1.444 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001394726084 888883903 /nfs/dbraw/zinc/88/39/03/888883903.db2.gz FJKDLNXJCRQVBW-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN Cc1nnsc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001394720966 888883987 /nfs/dbraw/zinc/88/39/87/888883987.db2.gz PCFADDMQHZTPOK-ZETCQYMHSA-N 0 3 287.345 -1.646 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)Cn1cccn1 ZINC001394730520 888884021 /nfs/dbraw/zinc/88/40/21/888884021.db2.gz WSDVUNLDUYIJHG-GHMZBOCLSA-N 0 3 295.343 -1.820 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CN(C)C(=O)COC)C1=O ZINC001394728002 888884061 /nfs/dbraw/zinc/88/40/61/888884061.db2.gz VNBIAOOWILFGSV-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001394727507 888884352 /nfs/dbraw/zinc/88/43/52/888884352.db2.gz TZNCDFCGPNDYHU-ZETCQYMHSA-N 0 3 276.293 -2.763 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)C1=CCOCC1 ZINC001394730898 888884382 /nfs/dbraw/zinc/88/43/82/888884382.db2.gz AVBHPBFOJLBJGJ-GFCCVEGCSA-N 0 3 299.371 -1.170 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001394726088 888884473 /nfs/dbraw/zinc/88/44/73/888884473.db2.gz FJKDLNXJCRQVBW-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cc[nH]n1 ZINC001394730477 888884547 /nfs/dbraw/zinc/88/45/47/888884547.db2.gz WESNCLMJOSMRDN-IUCAKERBSA-N 0 3 281.316 -1.679 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)C(F)F ZINC001394726682 888884718 /nfs/dbraw/zinc/88/47/18/888884718.db2.gz YOOIUEBTELAWLW-MRVPVSSYSA-N 0 3 279.287 -1.107 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCCNC1=O)C(=O)c1cn[nH]c1 ZINC001394727150 888884784 /nfs/dbraw/zinc/88/47/84/888884784.db2.gz LOKCNARYULMNCN-WDEREUQCSA-N 0 3 295.343 -1.289 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cc[nH]n1 ZINC001394730476 888884830 /nfs/dbraw/zinc/88/48/30/888884830.db2.gz WESNCLMJOSMRDN-DTWKUNHWSA-N 0 3 281.316 -1.679 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCCNC1=O)C(=O)c1cn[nH]c1 ZINC001394727146 888884891 /nfs/dbraw/zinc/88/48/91/888884891.db2.gz LOKCNARYULMNCN-MNOVXSKESA-N 0 3 295.343 -1.289 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)[nH]n1 ZINC001394727976 888885101 /nfs/dbraw/zinc/88/51/01/888885101.db2.gz OAHXTCCPTRNPTK-PSASIEDQSA-N 0 3 297.359 -1.132 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001394730415 888885219 /nfs/dbraw/zinc/88/52/19/888885219.db2.gz LWJVKUOHNOTYFF-RKDXNWHRSA-N 0 3 286.332 -2.580 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cnn(C)c1)C(N)=O ZINC001394720396 888885350 /nfs/dbraw/zinc/88/53/50/888885350.db2.gz NVKFQOHATSXLDJ-SCZZXKLOSA-N 0 3 283.332 -1.684 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)Cc1cc[nH]n1 ZINC001394733574 888886572 /nfs/dbraw/zinc/88/65/72/888886572.db2.gz GVVBNBPWUUCQRV-WDEREUQCSA-N 0 3 295.343 -1.750 20 0 CAADHN COC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001394741765 888886594 /nfs/dbraw/zinc/88/65/94/888886594.db2.gz KCLGWTVHFGAPKN-RKDXNWHRSA-N 0 3 287.320 -2.166 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cocn1 ZINC001394734317 888886951 /nfs/dbraw/zinc/88/69/51/888886951.db2.gz XITSFDYVBODKSN-QMMMGPOBSA-N 0 3 270.289 -1.557 20 0 CAADHN Cc1c(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)cnn1C ZINC001394742118 888886973 /nfs/dbraw/zinc/88/69/73/888886973.db2.gz PCSBPMJJAOTVSJ-NSHDSACASA-N 0 3 297.359 -1.835 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cnco1 ZINC001394748293 888887095 /nfs/dbraw/zinc/88/70/95/888887095.db2.gz VCVOKZJLBDLKCF-DTWKUNHWSA-N 0 3 284.316 -1.168 20 0 CAADHN CO[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1CC1 ZINC001394731992 888887933 /nfs/dbraw/zinc/88/79/33/888887933.db2.gz BEEGLPYPPUGACJ-ONGXEEELSA-N 0 3 273.333 -1.694 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)C1=CCCC1 ZINC001394741888 888888873 /nfs/dbraw/zinc/88/88/73/888888873.db2.gz QLSFPRRDOJTBLC-SNVBAGLBSA-N 0 3 298.343 -1.300 20 0 CAADHN CCc1n[nH]cc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001394737805 888888896 /nfs/dbraw/zinc/88/88/96/888888896.db2.gz AQSKAGTYZXFFNR-IUCAKERBSA-N 0 3 297.359 -1.132 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC001394731189 888888911 /nfs/dbraw/zinc/88/89/11/888888911.db2.gz WNFVZLDSGJOSDH-MNOVXSKESA-N 0 3 289.376 -1.092 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001394732416 888889091 /nfs/dbraw/zinc/88/90/91/888889091.db2.gz ZTYBAONZTDZZNF-LLVKDONJSA-N 0 3 297.359 -1.042 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1cncnc1 ZINC001394745574 888889126 /nfs/dbraw/zinc/88/91/26/888889126.db2.gz VESUMZMRPAIONP-LLVKDONJSA-N 0 3 295.343 -1.697 20 0 CAADHN C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1)C(=O)N(C)C ZINC001394750187 888889216 /nfs/dbraw/zinc/88/92/16/888889216.db2.gz ATOYXYOGZADNHJ-DTWKUNHWSA-N 0 3 298.347 -1.696 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1coc(C)n1 ZINC001394733206 888889241 /nfs/dbraw/zinc/88/92/41/888889241.db2.gz KJFWBSYCWHAGPF-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](O)CN[C@@H]2CCNC2=O)c[nH]1 ZINC001394734299 888889288 /nfs/dbraw/zinc/88/92/88/888889288.db2.gz XGIMDQFZAJGXFQ-VHSXEESVSA-N 0 3 295.343 -1.371 20 0 CAADHN Cc1c(CC(=O)N(C)C[C@H](O)CNCC(N)=O)cnn1C ZINC001394742116 888889544 /nfs/dbraw/zinc/88/95/44/888889544.db2.gz PCSBPMJJAOTVSJ-LLVKDONJSA-N 0 3 297.359 -1.835 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1coc(C)n1 ZINC001394733208 888889670 /nfs/dbraw/zinc/88/96/70/888889670.db2.gz KJFWBSYCWHAGPF-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1nc(C)c[nH]1 ZINC001394752244 888890480 /nfs/dbraw/zinc/89/04/80/888890480.db2.gz BVOJLVNRJVWULC-ZJUUUORDSA-N 0 3 297.359 -1.125 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@]1(C)CCOC1 ZINC001394755299 888891279 /nfs/dbraw/zinc/89/12/79/888891279.db2.gz IWDWZWBIEZFUDZ-MFKMUULPSA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001394756550 888891310 /nfs/dbraw/zinc/89/13/10/888891310.db2.gz LLOBIUMFDNAXHZ-MRVPVSSYSA-N 0 3 284.320 -2.416 20 0 CAADHN Cc1cnoc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001394757263 888891339 /nfs/dbraw/zinc/89/13/39/888891339.db2.gz MJBIGASJICPFJO-RKDXNWHRSA-N 0 3 284.316 -1.121 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1nccc1C ZINC001394758396 888891513 /nfs/dbraw/zinc/89/15/13/888891513.db2.gz SSRMWOHQFPOXRQ-NSHDSACASA-N 0 3 297.359 -1.654 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1ncccn1)C(N)=O ZINC001394755291 888891572 /nfs/dbraw/zinc/89/15/72/888891572.db2.gz RZBBANYSTGGANJ-NXEZZACHSA-N 0 3 295.343 -1.237 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1nonc1C ZINC001394765804 888891592 /nfs/dbraw/zinc/89/15/92/888891592.db2.gz SNROZMRDSPUUCV-QMMMGPOBSA-N 0 3 285.304 -1.853 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1cnccn1 ZINC001394754597 888891766 /nfs/dbraw/zinc/89/17/66/888891766.db2.gz IBUYYCMOUWOWBW-NSHDSACASA-N 0 3 295.343 -1.697 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1ncccn1)C(N)=O ZINC001394755304 888891790 /nfs/dbraw/zinc/89/17/90/888891790.db2.gz RZBBANYSTGGANJ-ZJUUUORDSA-N 0 3 295.343 -1.237 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1ncccn1)C(N)=O ZINC001394755300 888892340 /nfs/dbraw/zinc/89/23/40/888892340.db2.gz RZBBANYSTGGANJ-VHSXEESVSA-N 0 3 295.343 -1.237 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1nccc1C ZINC001394758391 888893421 /nfs/dbraw/zinc/89/34/21/888893421.db2.gz SSRMWOHQFPOXRQ-LLVKDONJSA-N 0 3 297.359 -1.654 20 0 CAADHN C[C@H](CC(=O)N(C)C[C@@H](O)CNCC(N)=O)n1cccn1 ZINC001394753504 888893525 /nfs/dbraw/zinc/89/35/25/888893525.db2.gz GDVZNIZWXUFFGN-MNOVXSKESA-N 0 3 297.359 -1.272 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cnon1)C(N)=O ZINC001394756100 888893759 /nfs/dbraw/zinc/89/37/59/888893759.db2.gz VGLMGLNXXUSESK-NKWVEPMBSA-N 0 3 271.277 -2.034 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1ncccn1)C(N)=O ZINC001394755295 888893776 /nfs/dbraw/zinc/89/37/76/888893776.db2.gz RZBBANYSTGGANJ-UWVGGRQHSA-N 0 3 295.343 -1.237 20 0 CAADHN Cc1nocc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001394758667 888893931 /nfs/dbraw/zinc/89/39/31/888893931.db2.gz HZVOWQRBDYWZND-QMMMGPOBSA-N 0 3 270.289 -1.509 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccn(C)n1)C(N)=O ZINC001394755675 888894150 /nfs/dbraw/zinc/89/41/50/888894150.db2.gz RCKVNGCDWKVQBR-NXEZZACHSA-N 0 3 297.359 -1.294 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)C[C@H]1COC(=O)C1 ZINC001394772683 888895456 /nfs/dbraw/zinc/89/54/56/888895456.db2.gz USHKKHKBERYLKE-GHMZBOCLSA-N 0 3 288.344 -1.317 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1ccc(=O)n(C)c1 ZINC001394777121 888895711 /nfs/dbraw/zinc/89/57/11/888895711.db2.gz MVVITWPJFOUPFH-GFCCVEGCSA-N 0 3 297.355 -1.258 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)CCc1cn(C)nn1 ZINC001394794281 888896243 /nfs/dbraw/zinc/89/62/43/888896243.db2.gz WYNNBHDXCYHZBI-GFCCVEGCSA-N 0 3 299.375 -1.509 20 0 CAADHN C[C@H](NC[C@H](NC(=O)Cn1cnnn1)C(C)(C)C)C(N)=O ZINC001394813897 888896946 /nfs/dbraw/zinc/89/69/46/888896946.db2.gz LVZJJELUPUGALB-IUCAKERBSA-N 0 3 297.363 -1.333 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)Cn1cnnn1)C(C)(C)C)C(N)=O ZINC001394813899 888898051 /nfs/dbraw/zinc/89/80/51/888898051.db2.gz LVZJJELUPUGALB-RKDXNWHRSA-N 0 3 297.363 -1.333 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001394769074 888901174 /nfs/dbraw/zinc/90/11/74/888901174.db2.gz HXODYBIIALUBOM-LBPRGKRZSA-N 0 3 289.376 -1.938 20 0 CAADHN CCOCC(=O)NC[C@H](CO)NC(=O)Cc1nc[nH]c1C ZINC001395679663 888912967 /nfs/dbraw/zinc/91/29/67/888912967.db2.gz HJMMMPVRMKKUGN-SNVBAGLBSA-N 0 3 298.343 -1.110 20 0 CAADHN CC[C@H](C(=O)N[C@H](CO)CNC(=O)c1cn[nH]c1)N(C)C ZINC001395692341 888919565 /nfs/dbraw/zinc/91/95/65/888919565.db2.gz BFUJEMIYNLBMTJ-WDEREUQCSA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]c1)N(C)C ZINC001395692337 888920695 /nfs/dbraw/zinc/92/06/95/888920695.db2.gz BFUJEMIYNLBMTJ-MNOVXSKESA-N 0 3 297.359 -1.043 20 0 CAADHN CO[C@H](C)C(=O)N[C@H](CO)CNC(=O)CN(C)C(C)C ZINC001395740185 888925975 /nfs/dbraw/zinc/92/59/75/888925975.db2.gz DKVHPHPQLMZUIV-MNOVXSKESA-N 0 3 289.376 -1.045 20 0 CAADHN CO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001395777495 888932078 /nfs/dbraw/zinc/93/20/78/888932078.db2.gz LMKBKMXMKFMXCA-VHSXEESVSA-N 0 3 298.343 -1.111 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1cnon1)N(C)C ZINC001395799488 888934483 /nfs/dbraw/zinc/93/44/83/888934483.db2.gz YVNFIPQDZYSBHZ-SCZZXKLOSA-N 0 3 299.331 -1.383 20 0 CAADHN CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c1cnon1)N(C)C ZINC001395799480 888935104 /nfs/dbraw/zinc/93/51/04/888935104.db2.gz YVNFIPQDZYSBHZ-PSASIEDQSA-N 0 3 299.331 -1.383 20 0 CAADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001396373101 888944286 /nfs/dbraw/zinc/94/42/86/888944286.db2.gz RVJHXLBYFUXDEK-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1O ZINC001396382619 888944899 /nfs/dbraw/zinc/94/48/99/888944899.db2.gz MTAKRFCKFSZMDS-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)COC)C[C@@H]1O ZINC001396428726 888946161 /nfs/dbraw/zinc/94/61/61/888946161.db2.gz MNQPXZWMSVHEDS-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN COC[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc[n-]1 ZINC001397033936 888957540 /nfs/dbraw/zinc/95/75/40/888957540.db2.gz ATWJJLIKIOJKII-GHMZBOCLSA-N 0 3 297.359 -1.113 20 0 CAADHN COC[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1nnc[n-]1 ZINC001397033936 888957545 /nfs/dbraw/zinc/95/75/45/888957545.db2.gz ATWJJLIKIOJKII-GHMZBOCLSA-N 0 3 297.359 -1.113 20 0 CAADHN CN(CCO)C[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001397263534 888959560 /nfs/dbraw/zinc/95/95/60/888959560.db2.gz WEMZLPBESZKTMT-NSHDSACASA-N 0 3 282.348 -1.022 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001397217850 888959606 /nfs/dbraw/zinc/95/96/06/888959606.db2.gz OQNPEKDKNAWJTL-VXGBXAGGSA-N 0 3 299.371 -1.457 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H]1CCN(CCCO)[C@@H]1C ZINC001397260432 888960455 /nfs/dbraw/zinc/96/04/55/888960455.db2.gz CPBDRJNVSWWCSH-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)CNC(N)=O ZINC001397461702 888967200 /nfs/dbraw/zinc/96/72/00/888967200.db2.gz RXWPFURPXIILOX-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](C)NC(=O)Cn1ncnn1)N(C)C ZINC001397511299 888970649 /nfs/dbraw/zinc/97/06/49/888970649.db2.gz WOMRNPKSZMPVHZ-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001397609592 888972613 /nfs/dbraw/zinc/97/26/13/888972613.db2.gz ZWAKVROUYTVBNX-HLTSFMKQSA-N 0 3 280.332 -1.295 20 0 CAADHN CN(C)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001397609360 888973402 /nfs/dbraw/zinc/97/34/02/888973402.db2.gz YTCPXTNMYPAKRD-AOOOYVTPSA-N 0 3 294.359 -1.080 20 0 CAADHN C[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H](CNCC(N)=O)C1 ZINC001397739740 888975072 /nfs/dbraw/zinc/97/50/72/888975072.db2.gz SOEJOTXEUMFXCN-KXUCPTDWSA-N 0 3 298.343 -1.203 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H]1CCN(CCCO)C1 ZINC001398299014 888988306 /nfs/dbraw/zinc/98/83/06/888988306.db2.gz VLKULZBMIBCXNE-JTQLQIEISA-N 0 3 272.349 -1.122 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001398296925 888990999 /nfs/dbraw/zinc/99/09/99/888990999.db2.gz OTIRRAHDORBICV-CHWSQXEVSA-N 0 3 299.371 -1.338 20 0 CAADHN CCCN(C)CC(=O)NCCN1CCN(CC(N)=O)CC1 ZINC001398276056 888991326 /nfs/dbraw/zinc/99/13/26/888991326.db2.gz FDEYDYQZRLNNPU-UHFFFAOYSA-N 0 3 299.419 -1.453 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)CN1CCCC1=O)C1CC1)C(N)=O ZINC001398382595 888993012 /nfs/dbraw/zinc/99/30/12/888993012.db2.gz ADSGLMHGSRERGI-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CNC(=O)C1CC1)C1CC1 ZINC001398380491 888993151 /nfs/dbraw/zinc/99/31/51/888993151.db2.gz HFIPORGWFCUKPE-NSHDSACASA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001398485814 888993411 /nfs/dbraw/zinc/99/34/11/888993411.db2.gz IKNFBAZAPLTCPL-CIUDSAMLSA-N 0 3 285.348 -1.632 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](NCC(N)=O)C2CC2)ccc1=O ZINC001398432276 888993653 /nfs/dbraw/zinc/99/36/53/888993653.db2.gz UDOQLAQTYPJBBZ-LLVKDONJSA-N 0 3 292.339 -1.031 20 0 CAADHN Cn1cc(C(=O)NC[C@H](NCC(N)=O)C2CC2)ccc1=O ZINC001398432279 888994244 /nfs/dbraw/zinc/99/42/44/888994244.db2.gz UDOQLAQTYPJBBZ-NSHDSACASA-N 0 3 292.339 -1.031 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CN1CCOCC1)C1CC1 ZINC001398387525 888994339 /nfs/dbraw/zinc/99/43/39/888994339.db2.gz QKOALAYPQADRAN-LLVKDONJSA-N 0 3 284.360 -1.712 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001398416363 888994447 /nfs/dbraw/zinc/99/44/47/888994447.db2.gz UYNCPXLKDMUVOD-UWVGGRQHSA-N 0 3 298.343 -1.333 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CNC(=O)CNC(C)=O)C1CC1 ZINC001398373959 888994492 /nfs/dbraw/zinc/99/44/92/888994492.db2.gz IVBAWJBZYGXJFC-KWQFWETISA-N 0 3 284.360 -1.259 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](N[C@H](C)C(N)=O)C1CC1 ZINC001398376178 888994702 /nfs/dbraw/zinc/99/47/02/888994702.db2.gz QJZMQSHLIGBHHG-XCBNKYQSSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@H](CC(=O)NC[C@@H](NCC(N)=O)C1CC1)NC(N)=O ZINC001398408006 888994876 /nfs/dbraw/zinc/99/48/76/888994876.db2.gz LKOCAUFRLJDYDQ-VXNVDRBHSA-N 0 3 285.348 -1.597 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCN(CCO)C1 ZINC001398322804 888995385 /nfs/dbraw/zinc/99/53/85/888995385.db2.gz GXTVTVCYDOQTPP-VIFPVBQESA-N 0 3 294.377 -2.435 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CNC(=O)CNC(C)=O)C1CC1 ZINC001398373955 888995408 /nfs/dbraw/zinc/99/54/08/888995408.db2.gz IVBAWJBZYGXJFC-GZMMTYOYSA-N 0 3 284.360 -1.259 20 0 CAADHN NS(=O)(=O)CCCC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001398327563 888995593 /nfs/dbraw/zinc/99/55/93/888995593.db2.gz KRWJBWYTEIVLJL-SNVBAGLBSA-N 0 3 293.389 -1.372 20 0 CAADHN COCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001398490808 888995919 /nfs/dbraw/zinc/99/59/19/888995919.db2.gz PJQSFZNKPJEUTN-YUMQZZPRSA-N 0 3 272.305 -1.593 20 0 CAADHN C[C@@H](CC(=O)NC[C@H](NCC(N)=O)C1CC1)NC(N)=O ZINC001398407981 888996044 /nfs/dbraw/zinc/99/60/44/888996044.db2.gz LKOCAUFRLJDYDQ-CBAPKCEASA-N 0 3 285.348 -1.597 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001398516928 888996992 /nfs/dbraw/zinc/99/69/92/888996992.db2.gz BTLIZFZNMDXXMQ-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001398525662 888997028 /nfs/dbraw/zinc/99/70/28/888997028.db2.gz XMGMMKPIDQQSGC-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC001398516082 888997123 /nfs/dbraw/zinc/99/71/23/888997123.db2.gz USWKIPJIRHAJIX-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001398522081 888997616 /nfs/dbraw/zinc/99/76/16/888997616.db2.gz ZTELIRILGRWVME-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001398522080 888998111 /nfs/dbraw/zinc/99/81/11/888998111.db2.gz ZTELIRILGRWVME-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001398501769 888998370 /nfs/dbraw/zinc/99/83/70/888998370.db2.gz MMJNGQWIEQFCJJ-JTQLQIEISA-N 0 3 270.333 -1.599 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1)C(N)=O ZINC001398518797 888998629 /nfs/dbraw/zinc/99/86/29/888998629.db2.gz IGRBTDWQWFXNRK-KOLCDFICSA-N 0 3 296.371 -1.081 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001398526889 888998712 /nfs/dbraw/zinc/99/87/12/888998712.db2.gz RPAFKTNFMPTQML-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2ccc(=O)n(C)c2)C1 ZINC001398500432 888999051 /nfs/dbraw/zinc/99/90/51/888999051.db2.gz NSNPXLOBHXYIEG-NSHDSACASA-N 0 3 292.339 -1.065 20 0 CAADHN CC(=O)N[C@H]1C[C@H](NCC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001398536576 888999443 /nfs/dbraw/zinc/99/94/43/888999443.db2.gz VAOAOQGOGWUKEN-FBIMIBRVSA-N 0 3 284.360 -1.164 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)CNC(C)=O)C1 ZINC001398549302 889000950 /nfs/dbraw/zinc/00/09/50/889000950.db2.gz JOWHJKNMCAXNCW-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)N(C)CC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001398557145 889001338 /nfs/dbraw/zinc/00/13/38/889001338.db2.gz VUCKPBADXOSVHE-LBPRGKRZSA-N 0 3 296.371 -1.114 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)CNC(=O)NC)C1)N(C)C ZINC001398636139 889007247 /nfs/dbraw/zinc/00/72/47/889007247.db2.gz UXYXAWXEGUGXPE-SNVBAGLBSA-N 0 3 299.375 -1.417 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)[C@H](C)NC(N)=O)C1)N(C)C ZINC001398639308 889009068 /nfs/dbraw/zinc/00/90/68/889009068.db2.gz VTNOGDUNAUPUGK-WCBMZHEXSA-N 0 3 299.375 -1.290 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)CNC(C)=O)C1 ZINC001398660520 889011053 /nfs/dbraw/zinc/01/10/53/889011053.db2.gz RJNZYFQCXMUPCB-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001398654431 889012098 /nfs/dbraw/zinc/01/20/98/889012098.db2.gz CQRCJYLVZBSFRL-JTQLQIEISA-N 0 3 298.343 -1.236 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC001398658887 889013134 /nfs/dbraw/zinc/01/31/34/889013134.db2.gz NMJWBYKXFUXNBI-UHFFFAOYSA-N 0 3 295.347 -1.658 20 0 CAADHN COCC(=O)N1CCCC[C@@H]1CNCC(=O)NC(N)=O ZINC001398767760 889013730 /nfs/dbraw/zinc/01/37/30/889013730.db2.gz OUACYXYUXBUJNQ-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN Cn1nnc(C(=O)N2CCCC[C@H]2CNCC(N)=O)n1 ZINC001398762970 889013901 /nfs/dbraw/zinc/01/39/01/889013901.db2.gz PLIAJASXJAZAHZ-QMMMGPOBSA-N 0 3 281.320 -1.720 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)c2nc[n-]n2)C1 ZINC001398731066 889014184 /nfs/dbraw/zinc/01/41/84/889014184.db2.gz TTYNSMWWVKAVSX-VIFPVBQESA-N 0 3 280.332 -1.008 20 0 CAADHN CNC(=O)NCC(=O)N1CCCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001398766865 889015634 /nfs/dbraw/zinc/01/56/34/889015634.db2.gz NSTIYDNWWLSOBM-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)c2nc[n-]n2)C1 ZINC001398731060 889016156 /nfs/dbraw/zinc/01/61/56/889016156.db2.gz TTYNSMWWVKAVSX-SECBINFHSA-N 0 3 280.332 -1.008 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCCNC1=O ZINC001398855893 889017250 /nfs/dbraw/zinc/01/72/50/889017250.db2.gz OXVCLCSDCXSKHF-RKDXNWHRSA-N 0 3 281.320 -1.954 20 0 CAADHN CC(=O)NC[C@H](C)NCC(=O)N1CCN(C(C)=O)CC1 ZINC001398836688 889017833 /nfs/dbraw/zinc/01/78/33/889017833.db2.gz AWWRZQKOYIKMJM-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)NC[C@@H](C)NCC(=O)N1CCN(C(C)=O)CC1 ZINC001398836692 889019212 /nfs/dbraw/zinc/01/92/12/889019212.db2.gz AWWRZQKOYIKMJM-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CN1CCCC1=O ZINC001398850533 889019240 /nfs/dbraw/zinc/01/92/40/889019240.db2.gz IHNGPWPQWURONN-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)NCC(=O)N(C)C1CC1 ZINC001398852471 889020253 /nfs/dbraw/zinc/02/02/53/889020253.db2.gz KBKLIBFODQCFAX-SECBINFHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CNC(=O)c1nccnc1N)NCC(=O)N1CCC1 ZINC001398891188 889020370 /nfs/dbraw/zinc/02/03/70/889020370.db2.gz WBNBOBAFESFLDC-SECBINFHSA-N 0 3 292.343 -1.001 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)NCC(=O)N(C)C ZINC001398900634 889020428 /nfs/dbraw/zinc/02/04/28/889020428.db2.gz ZHLDFXYEXOKXPW-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1N)N[C@@H]1CCNC1=O ZINC001398898573 889020606 /nfs/dbraw/zinc/02/06/06/889020606.db2.gz AEWMCZCKOYANLG-IONNQARKSA-N 0 3 280.332 -1.401 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)NC1CC1 ZINC001398863816 889020705 /nfs/dbraw/zinc/02/07/05/889020705.db2.gz ZCBOUWVKVWFSRZ-QMMMGPOBSA-N 0 3 281.320 -1.954 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)C[C@@H](C)NC(N)=O ZINC001398934441 889021644 /nfs/dbraw/zinc/02/16/44/889021644.db2.gz MKVPBLQRUSADPJ-RKDXNWHRSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)ccc1=O)N[C@@H]1CCNC1=O ZINC001398999586 889022509 /nfs/dbraw/zinc/02/25/09/889022509.db2.gz KEYCGXPOIVJCBY-MWLCHTKSSA-N 0 3 292.339 -1.018 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)C[C@@H](C)NC(N)=O ZINC001398934052 889023097 /nfs/dbraw/zinc/02/30/97/889023097.db2.gz MKVPBLQRUSADPJ-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)N[C@H]1CCNC1=O ZINC001398999587 889023363 /nfs/dbraw/zinc/02/33/63/889023363.db2.gz KEYCGXPOIVJCBY-ONGXEEELSA-N 0 3 292.339 -1.018 20 0 CAADHN CNC(=O)CCCC(=O)NC[C@H](C)NCC(=O)NC ZINC001398912962 889023603 /nfs/dbraw/zinc/02/36/03/889023603.db2.gz MFUQANKULPKRMP-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CNS(=O)(=O)CCC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001398949111 889023883 /nfs/dbraw/zinc/02/38/83/889023883.db2.gz ZDYJPUCRTKHWRY-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNC(=O)c1cnn2c1OCCC2)NCC(N)=O ZINC001398937826 889024101 /nfs/dbraw/zinc/02/41/01/889024101.db2.gz VZFFQROCTXUMMA-MRVPVSSYSA-N 0 3 281.316 -1.141 20 0 CAADHN CNS(=O)(=O)CCC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001398949089 889025130 /nfs/dbraw/zinc/02/51/30/889025130.db2.gz ZDYJPUCRTKHWRY-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN CCN1CC[C@@H](N[C@H](C)CNC(=O)Cn2ncnn2)C1=O ZINC001398925475 889024816 /nfs/dbraw/zinc/02/48/16/889024816.db2.gz QXLMEHVXLLJTKV-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)NCC(=O)NC1CC1 ZINC001398911815 889024845 /nfs/dbraw/zinc/02/48/45/889024845.db2.gz BPBLMIPGGKANIY-QMMMGPOBSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NCC(N)=O ZINC001399035159 889025667 /nfs/dbraw/zinc/02/56/67/889025667.db2.gz KVFNTYCMOBWDKD-BIIVOSGPSA-N 0 3 272.305 -2.401 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001399047168 889025856 /nfs/dbraw/zinc/02/58/56/889025856.db2.gz ZGUZHOVSXSSDJC-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NC1CC1 ZINC001399046667 889025913 /nfs/dbraw/zinc/02/59/13/889025913.db2.gz VVUBHWNEPVBKSB-CBAPKCEASA-N 0 3 283.332 -1.959 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCc1cnn(C)n1 ZINC001399011394 889026003 /nfs/dbraw/zinc/02/60/03/889026003.db2.gz BGZVRZJQRLWONY-VIFPVBQESA-N 0 3 282.348 -1.412 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001399024360 889026029 /nfs/dbraw/zinc/02/60/29/889026029.db2.gz HNGXTPAEIGKPPS-DTWKUNHWSA-N 0 3 297.363 -1.167 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCc1cnn(C)n1 ZINC001399011390 889026180 /nfs/dbraw/zinc/02/61/80/889026180.db2.gz BGZVRZJQRLWONY-SECBINFHSA-N 0 3 282.348 -1.412 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCn1ncn(C)c1=O)C(N)=O ZINC001399012328 889026271 /nfs/dbraw/zinc/02/62/71/889026271.db2.gz FEGHFBJIYUNQPB-DTWKUNHWSA-N 0 3 298.347 -2.060 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H](C)CC(N)=O ZINC001399036620 889026601 /nfs/dbraw/zinc/02/66/01/889026601.db2.gz UJIDPMOSOLINSD-IUCAKERBSA-N 0 3 272.349 -1.272 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NC1CC1 ZINC001399046665 889026759 /nfs/dbraw/zinc/02/67/59/889026759.db2.gz VVUBHWNEPVBKSB-APPZFPTMSA-N 0 3 283.332 -1.959 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ccnnc1 ZINC001399033037 889026782 /nfs/dbraw/zinc/02/67/82/889026782.db2.gz OFESAYKVUMYVPL-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001399024374 889027275 /nfs/dbraw/zinc/02/72/75/889027275.db2.gz HNGXTPAEIGKPPS-IUCAKERBSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N[C@H]1CCN(C)C1=O ZINC001399018918 889027449 /nfs/dbraw/zinc/02/74/49/889027449.db2.gz DXTIAFFOSNZKOQ-YUMQZZPRSA-N 0 3 281.320 -1.851 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001399025055 889027756 /nfs/dbraw/zinc/02/77/56/889027756.db2.gz GWZJYWHCMPWTLU-RNCFNFMXSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(=O)N(C)C ZINC001399042988 889027915 /nfs/dbraw/zinc/02/79/15/889027915.db2.gz XZKDWMJYJVLRAT-VHSXEESVSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)N[C@@H]1CCNC1=O ZINC001399020417 889028150 /nfs/dbraw/zinc/02/81/50/889028150.db2.gz KIEUFHYBLLOJFX-JGVFFNPUSA-N 0 3 281.316 -1.278 20 0 CAADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)N[C@@H]1CCNC1=O ZINC001399026500 889028592 /nfs/dbraw/zinc/02/85/92/889028592.db2.gz OZABMQJJSMLKFF-VHSXEESVSA-N 0 3 297.359 -2.599 20 0 CAADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)N[C@@H]1CCNC1=O ZINC001399026496 889028649 /nfs/dbraw/zinc/02/86/49/889028649.db2.gz OZABMQJJSMLKFF-NXEZZACHSA-N 0 3 297.359 -2.599 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cccc(=O)n1C ZINC001399051236 889028714 /nfs/dbraw/zinc/02/87/14/889028714.db2.gz VJGVFSJXJNABPW-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN C[C@@H](CNC(=O)c1ccn(C)n1)NCC(=O)NC(N)=O ZINC001399128946 889029748 /nfs/dbraw/zinc/02/97/48/889029748.db2.gz XMOLOIJZPXLSMF-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)N[C@H](C)C(N)=O ZINC001399092421 889029758 /nfs/dbraw/zinc/02/97/58/889029758.db2.gz DKWOSSAMTLXVPQ-RNFRBKRXSA-N 0 3 297.315 -1.932 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001399116474 889029774 /nfs/dbraw/zinc/02/97/74/889029774.db2.gz WJWGWMVCTHXTFW-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)Cc1ccc[nH]1)NCC(=O)NC(N)=O ZINC001399148090 889029810 /nfs/dbraw/zinc/02/98/10/889029810.db2.gz BWLRGZZYUGCZNN-MRVPVSSYSA-N 0 3 281.316 -1.154 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)N[C@H]1CCN(C)C1=O ZINC001399118556 889029824 /nfs/dbraw/zinc/02/98/24/889029824.db2.gz STQAXQHDGDKKEJ-UWVGGRQHSA-N 0 3 280.332 -1.397 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccc(OC)nn1 ZINC001399105544 889029842 /nfs/dbraw/zinc/02/98/42/889029842.db2.gz PRLXEDASXRFQGA-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)N[C@@H](C)C(N)=O ZINC001399092356 889029877 /nfs/dbraw/zinc/02/98/77/889029877.db2.gz DKWOSSAMTLXVPQ-BQBZGAKWSA-N 0 3 297.315 -1.932 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001399125743 889030312 /nfs/dbraw/zinc/03/03/12/889030312.db2.gz WXPRKANDQUDDPC-SSDOTTSWSA-N 0 3 281.316 -1.433 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001399092269 889030564 /nfs/dbraw/zinc/03/05/64/889030564.db2.gz CQJRKQVBWIHCRR-QMMMGPOBSA-N 0 3 296.331 -1.498 20 0 CAADHN C[C@H](CNC(=O)CCn1cnnn1)NCC(=O)N1CCC1 ZINC001399094571 889030727 /nfs/dbraw/zinc/03/07/27/889030727.db2.gz IZTJYZMUFDJHDJ-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)N[C@@H](C)C(N)=O ZINC001399092450 889030916 /nfs/dbraw/zinc/03/09/16/889030916.db2.gz DKWOSSAMTLXVPQ-RQJHMYQMSA-N 0 3 297.315 -1.932 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)NCCF ZINC001399082106 889031015 /nfs/dbraw/zinc/03/10/15/889031015.db2.gz SQNNFZIUQDJXPD-MRVPVSSYSA-N 0 3 286.307 -1.239 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001399127985 889031227 /nfs/dbraw/zinc/03/12/27/889031227.db2.gz WOGHFMAETJSZBR-MRVPVSSYSA-N 0 3 296.331 -1.519 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)N[C@@H](C)C(=O)NC1CC1 ZINC001399122462 889031568 /nfs/dbraw/zinc/03/15/68/889031568.db2.gz FEVXHUJWBYXCOE-IUCAKERBSA-N 0 3 299.375 -1.194 20 0 CAADHN CCn1nc(C(=O)NC[C@@H](C)N[C@H](C)C(N)=O)ccc1=O ZINC001399080583 889031756 /nfs/dbraw/zinc/03/17/56/889031756.db2.gz GVIFOZOOVWGHNF-RKDXNWHRSA-N 0 3 295.343 -1.155 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)N[C@H]1CCN(C)C1=O ZINC001399118582 889031859 /nfs/dbraw/zinc/03/18/59/889031859.db2.gz STQAXQHDGDKKEJ-ZJUUUORDSA-N 0 3 280.332 -1.397 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)c1ccccn1)NCC(N)=O ZINC001399155790 889032112 /nfs/dbraw/zinc/03/21/12/889032112.db2.gz HTXDFHBJYZKDOP-VIFPVBQESA-N 0 3 293.327 -1.609 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ncccn1 ZINC001399097030 889032328 /nfs/dbraw/zinc/03/23/28/889032328.db2.gz VCULDPNIPXOZGP-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN Cc1nccc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)n1 ZINC001399103898 889032467 /nfs/dbraw/zinc/03/24/67/889032467.db2.gz IISPPOUDRWUYFM-SSDOTTSWSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)N1CCCC1 ZINC001399108413 889032619 /nfs/dbraw/zinc/03/26/19/889032619.db2.gz RESURBIRDGTFDE-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cnon1 ZINC001399093012 889032652 /nfs/dbraw/zinc/03/26/52/889032652.db2.gz SAHMMASNFQZSOL-SSDOTTSWSA-N 0 3 298.303 -1.377 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001399159022 889032758 /nfs/dbraw/zinc/03/27/58/889032758.db2.gz HMLCXWVSRJCZOU-SKDRFNHKSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CNC(=O)c1cc2ncccn2n1)NCC(N)=O ZINC001399081501 889032892 /nfs/dbraw/zinc/03/28/92/889032892.db2.gz HUNNSGKSBRTESP-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](CNC(=O)c1cccn2c1n[nH]c2=O)NCC(N)=O ZINC001399094515 889033208 /nfs/dbraw/zinc/03/32/08/889033208.db2.gz FXXQBCNYBMPGAS-ZETCQYMHSA-N 0 3 292.299 -1.372 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N[C@H]1CCCNC1=O ZINC001399129903 889033331 /nfs/dbraw/zinc/03/33/31/889033331.db2.gz MIXZSFHWJGEVKW-BDAKNGLRSA-N 0 3 285.348 -1.582 20 0 CAADHN CCn1nc(C(=O)NC[C@H](C)N[C@H](C)C(N)=O)ccc1=O ZINC001399080580 889033352 /nfs/dbraw/zinc/03/33/52/889033352.db2.gz GVIFOZOOVWGHNF-DTWKUNHWSA-N 0 3 295.343 -1.155 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1nc2ncccn2n1 ZINC001399089714 889033376 /nfs/dbraw/zinc/03/33/76/889033376.db2.gz PDAWYQJJNQAKSJ-QMMMGPOBSA-N 0 3 291.315 -1.422 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001399092242 889033477 /nfs/dbraw/zinc/03/34/77/889033477.db2.gz CQJRKQVBWIHCRR-MRVPVSSYSA-N 0 3 296.331 -1.498 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCNC(=O)NC)C1 ZINC001399173928 889034854 /nfs/dbraw/zinc/03/48/54/889034854.db2.gz LOWBRIJMFBPFQI-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN C[C@H](CNC(=O)CCc1cn(C)nn1)NCC(=O)N(C)C ZINC001399189688 889035006 /nfs/dbraw/zinc/03/50/06/889035006.db2.gz XAIFCWXVNXBKCU-SNVBAGLBSA-N 0 3 296.375 -1.070 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001399162982 889035694 /nfs/dbraw/zinc/03/56/94/889035694.db2.gz RZBKDUFXSWRJHL-QMMMGPOBSA-N 0 3 298.299 -1.740 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C(C)(C)NC(C)=O)C1 ZINC001399194641 889036208 /nfs/dbraw/zinc/03/62/08/889036208.db2.gz KBBGMMSWATWTND-JTQLQIEISA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001399170143 889036052 /nfs/dbraw/zinc/03/60/52/889036052.db2.gz DXEYUACVHVRNEI-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(=O)N(C)C)C1 ZINC001399159800 889036920 /nfs/dbraw/zinc/03/69/20/889036920.db2.gz IAZYEENRGRNTAI-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001399170021 889036951 /nfs/dbraw/zinc/03/69/51/889036951.db2.gz DXEYUACVHVRNEI-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001399221042 889037044 /nfs/dbraw/zinc/03/70/44/889037044.db2.gz RAWCHVVAUORNNY-VIFPVBQESA-N 0 3 285.348 -1.677 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CCNC(N)=O)C(N)=O ZINC001400098740 889091223 /nfs/dbraw/zinc/09/12/23/889091223.db2.gz ZMUZGROMIAXWJS-MRVPVSSYSA-N 0 3 273.337 -1.643 20 0 CAADHN CN(CCCO)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001399511110 889046352 /nfs/dbraw/zinc/04/63/52/889046352.db2.gz TWJITTDVPJFNDE-SNVBAGLBSA-N 0 3 297.359 -1.024 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CCNS(C)(=O)=O ZINC001399488949 889048409 /nfs/dbraw/zinc/04/84/09/889048409.db2.gz QSPHHALXZPXBHD-VIFPVBQESA-N 0 3 281.378 -1.646 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001399552339 889049373 /nfs/dbraw/zinc/04/93/73/889049373.db2.gz ANJPCCPMTGDPRD-WYUUTHIRSA-N 0 3 272.345 -1.066 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1cn(C)nn1 ZINC001399481844 889050793 /nfs/dbraw/zinc/05/07/93/889050793.db2.gz ATKFCZBJIATIPA-SECBINFHSA-N 0 3 271.321 -1.516 20 0 CAADHN CN(CCCO)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001399511104 889051065 /nfs/dbraw/zinc/05/10/65/889051065.db2.gz TWJITTDVPJFNDE-JTQLQIEISA-N 0 3 297.359 -1.024 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1ccc(=O)n(C)n1 ZINC001399645185 889052900 /nfs/dbraw/zinc/05/29/00/889052900.db2.gz MNUOPWSVXPFUTE-JTQLQIEISA-N 0 3 298.343 -1.551 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001399649423 889053123 /nfs/dbraw/zinc/05/31/23/889053123.db2.gz XJIXTUBSHVVZTI-SNVBAGLBSA-N 0 3 298.343 -1.218 20 0 CAADHN CN(CCNC(=O)c1ncn[nH]1)CC(=O)NCC1CC1 ZINC001399613855 889053217 /nfs/dbraw/zinc/05/32/17/889053217.db2.gz UWRUGYKWCKAFNW-UHFFFAOYSA-N 0 3 280.332 -1.008 20 0 CAADHN CN(CCNC(=O)[C@H]1CNC(=O)N1)CCc1ccnn1C ZINC001399570244 889053943 /nfs/dbraw/zinc/05/39/43/889053943.db2.gz LNLLEXWAHBRMCQ-LLVKDONJSA-N 0 3 294.359 -1.308 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001399561261 889055520 /nfs/dbraw/zinc/05/55/20/889055520.db2.gz PXHGNIHQXVYGBR-UWVGGRQHSA-N 0 3 288.348 -1.935 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCN(C)CCO ZINC001399646650 889056179 /nfs/dbraw/zinc/05/61/79/889056179.db2.gz TYOZRJIPYYLOHH-SECBINFHSA-N 0 3 299.335 -2.782 20 0 CAADHN COCC(=O)NC[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001399755133 889064228 /nfs/dbraw/zinc/06/42/28/889064228.db2.gz GRQDMRMUWPPMOD-JTQLQIEISA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)NC[C@@H]1CCCN1CCO ZINC001399882037 889076851 /nfs/dbraw/zinc/07/68/51/889076851.db2.gz YZDINWVRKAOXPZ-JTQLQIEISA-N 0 3 298.343 -1.499 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)NC[C@H]1CCCN1CCO ZINC001399882073 889077206 /nfs/dbraw/zinc/07/72/06/889077206.db2.gz YZDINWVRKAOXPZ-SNVBAGLBSA-N 0 3 298.343 -1.499 20 0 CAADHN CN1C[C@H](C(=O)NCCN(CCCO)C2CC2)NC1=O ZINC001400007958 889083305 /nfs/dbraw/zinc/08/33/05/889083305.db2.gz DRTWDZYMCWRTJC-LLVKDONJSA-N 0 3 284.360 -1.027 20 0 CAADHN COCCC(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001400037706 889085634 /nfs/dbraw/zinc/08/56/34/889085634.db2.gz FBVKOMWHFOLJOO-QMMMGPOBSA-N 0 3 274.321 -1.346 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@H]1COC(=O)C1)C(N)=O ZINC001400056347 889085380 /nfs/dbraw/zinc/08/53/80/889085380.db2.gz MBHNWSTXIDSOND-RKDXNWHRSA-N 0 3 271.317 -1.139 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@H]1CCCN(C)C1=O ZINC001400045436 889085425 /nfs/dbraw/zinc/08/54/25/889085425.db2.gz NVKKWYPBFNZUCA-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001400062975 889085998 /nfs/dbraw/zinc/08/59/98/889085998.db2.gz XSJDCPICTJOPPF-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)c1ncn(C)n1 ZINC001400048653 889086222 /nfs/dbraw/zinc/08/62/22/889086222.db2.gz JGNKHRIULAMBCX-VIFPVBQESA-N 0 3 280.332 -1.293 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001400051838 889086381 /nfs/dbraw/zinc/08/63/81/889086381.db2.gz LNUTVCUWJNOCLX-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)C[C@H]1CCNC1=O ZINC001400053319 889086445 /nfs/dbraw/zinc/08/64/45/889086445.db2.gz KMPMVFOVXPTLBJ-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001400045846 889086588 /nfs/dbraw/zinc/08/65/88/889086588.db2.gz DTMMWHTZVAVDPT-IUCAKERBSA-N 0 3 285.348 -1.808 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CCn1cncn1)C(N)=O ZINC001400038168 889086847 /nfs/dbraw/zinc/08/68/47/889086847.db2.gz BOUHLIJWKCBXEK-JTQLQIEISA-N 0 3 282.348 -1.020 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001400053323 889086943 /nfs/dbraw/zinc/08/69/43/889086943.db2.gz KMPMVFOVXPTLBJ-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001400057581 889087181 /nfs/dbraw/zinc/08/71/81/889087181.db2.gz QPNUNTLEINPGPR-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001400045908 889087511 /nfs/dbraw/zinc/08/75/11/889087511.db2.gz UOGPSVVATZVEHQ-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCNC(=O)CC1 ZINC001400059581 889087541 /nfs/dbraw/zinc/08/75/41/889087541.db2.gz TWBJJCNAIGBFOR-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN(C)S(C)(=O)=O)C(N)=O ZINC001400048961 889087852 /nfs/dbraw/zinc/08/78/52/889087852.db2.gz DZGNHUMJZBDKSF-QMMMGPOBSA-N 0 3 294.377 -2.200 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001400045860 889087875 /nfs/dbraw/zinc/08/78/75/889087875.db2.gz DTMMWHTZVAVDPT-RKDXNWHRSA-N 0 3 285.348 -1.808 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)c1ncn(C)n1 ZINC001400048641 889087931 /nfs/dbraw/zinc/08/79/31/889087931.db2.gz JGNKHRIULAMBCX-SECBINFHSA-N 0 3 280.332 -1.293 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001400062957 889088192 /nfs/dbraw/zinc/08/81/92/889088192.db2.gz XSJDCPICTJOPPF-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001400062963 889088382 /nfs/dbraw/zinc/08/83/82/889088382.db2.gz XSJDCPICTJOPPF-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCc1cnn(C)n1)C(N)=O ZINC001400064547 889088574 /nfs/dbraw/zinc/08/85/74/889088574.db2.gz CLKWBGGCZKIJLF-SECBINFHSA-N 0 3 282.348 -1.331 20 0 CAADHN CNC(=O)NCC(=O)NCCN(CCCO)C1CC1 ZINC001400014144 889088752 /nfs/dbraw/zinc/08/87/52/889088752.db2.gz WSUALHMEUNEEHD-UHFFFAOYSA-N 0 3 272.349 -1.122 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@@H](C)C(=O)N(C)C ZINC001400037977 889088867 /nfs/dbraw/zinc/08/88/67/889088867.db2.gz ABKOKPLOLHHGML-VIFPVBQESA-N 0 3 272.349 -1.353 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)C[C@@H]1CCNC1=O ZINC001400049151 889089003 /nfs/dbraw/zinc/08/90/03/889089003.db2.gz GBFNSQLCEJMVQL-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001400062951 889089155 /nfs/dbraw/zinc/08/91/55/889089155.db2.gz XSJDCPICTJOPPF-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H](C)CC(N)=O ZINC001400056632 889089244 /nfs/dbraw/zinc/08/92/44/889089244.db2.gz PKQVFAMCXOWGDV-DTWKUNHWSA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001400073320 889091195 /nfs/dbraw/zinc/09/11/95/889091195.db2.gz HSVGBKFYSQKNBX-MRVPVSSYSA-N 0 3 281.316 -1.684 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)Cn1cncn1 ZINC001400074395 889092396 /nfs/dbraw/zinc/09/23/96/889092396.db2.gz JQHCOXHVHFWXSR-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001400067009 889092561 /nfs/dbraw/zinc/09/25/61/889092561.db2.gz QNGWUBLCPSZDDU-SECBINFHSA-N 0 3 293.327 -1.336 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)Cn1cncn1 ZINC001400074392 889092623 /nfs/dbraw/zinc/09/26/23/889092623.db2.gz JQHCOXHVHFWXSR-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001400284527 889097196 /nfs/dbraw/zinc/09/71/96/889097196.db2.gz QRCYCDVWYIKZRX-KXNHARMFSA-N 0 3 299.371 -1.304 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001400484474 889107010 /nfs/dbraw/zinc/10/70/10/889107010.db2.gz UHLIWKGFIQTHCG-ZJUUUORDSA-N 0 3 287.316 -1.850 20 0 CAADHN CCC(=O)NCC(=O)NCC1CN(C[C@@H](O)COC)C1 ZINC001400462321 889107077 /nfs/dbraw/zinc/10/70/77/889107077.db2.gz DNPXHIKYPSMUNI-LLVKDONJSA-N 0 3 287.360 -1.432 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001400484454 889107294 /nfs/dbraw/zinc/10/72/94/889107294.db2.gz UHLIWKGFIQTHCG-NXEZZACHSA-N 0 3 287.316 -1.850 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)Cn2cnnn2)C1 ZINC001400484319 889108821 /nfs/dbraw/zinc/10/88/21/889108821.db2.gz PUSKMQSRRCZEOB-JTQLQIEISA-N 0 3 284.320 -2.272 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)Cn2cnnn2)C1 ZINC001400484326 889109092 /nfs/dbraw/zinc/10/90/92/889109092.db2.gz PUSKMQSRRCZEOB-SNVBAGLBSA-N 0 3 284.320 -2.272 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001400540866 889110206 /nfs/dbraw/zinc/11/02/06/889110206.db2.gz HQQIULBRVAHQMF-QWRGUYRKSA-N 0 3 285.344 -1.680 20 0 CAADHN COC[C@@H](C)N1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001400512811 889112102 /nfs/dbraw/zinc/11/21/02/889112102.db2.gz ZHCVGIHYHQFWIY-LLVKDONJSA-N 0 3 299.371 -1.072 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCC1CN(CCCO)C1 ZINC001400525845 889112420 /nfs/dbraw/zinc/11/24/20/889112420.db2.gz NCPYQRINOYSGAA-UHFFFAOYSA-N 0 3 294.377 -2.529 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)CCn2cncn2)C1 ZINC001400648481 889113772 /nfs/dbraw/zinc/11/37/72/889113772.db2.gz GLUPKJJYEBNEJQ-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001400588098 889115088 /nfs/dbraw/zinc/11/50/88/889115088.db2.gz CBYUXGVXQHPKFL-TUAOUCFPSA-N 0 3 288.344 -1.400 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400623498 889115265 /nfs/dbraw/zinc/11/52/65/889115265.db2.gz MZUHMGZENAYOOA-ZJUUUORDSA-N 0 3 293.389 -1.551 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001400616602 889115372 /nfs/dbraw/zinc/11/53/72/889115372.db2.gz LMUCCNHLXRRHIG-GRYCIOLGSA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)CS(C)(=O)=O)C(N)=O ZINC001401594304 889166974 /nfs/dbraw/zinc/16/69/74/889166974.db2.gz ZQQNUEHKNJBSQJ-VIFPVBQESA-N 0 3 293.389 -1.267 20 0 CAADHN O=C(CCn1cnccc1=O)N[C@H]1CCN(CCO)C1 ZINC001400627061 889116383 /nfs/dbraw/zinc/11/63/83/889116383.db2.gz ZCVOFRNESWPYTL-NSHDSACASA-N 0 3 280.328 -1.184 20 0 CAADHN COC[C@@H](C)C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001401621848 889170586 /nfs/dbraw/zinc/17/05/86/889170586.db2.gz RCTQXLNOYDLTQI-HTQZYQBOSA-N 0 3 274.321 -1.442 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCCC1=O)N[C@@H](C)C(N)=O ZINC001400798234 889118014 /nfs/dbraw/zinc/11/80/14/889118014.db2.gz UXJQPGSRNHLPHG-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNS(=O)(=O)CCC(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001400692338 889119008 /nfs/dbraw/zinc/11/90/08/889119008.db2.gz CVLQDEHNUZJGLG-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCCO1)NCC(=O)NC(N)=O ZINC001400799950 889119268 /nfs/dbraw/zinc/11/92/68/889119268.db2.gz VSXRRMZQWXUYNB-IUCAKERBSA-N 0 3 286.332 -1.155 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)OC)N[C@@H]1CCNC1=O ZINC001400799161 889119848 /nfs/dbraw/zinc/11/98/48/889119848.db2.gz RAQLODLZRQJODC-RKDXNWHRSA-N 0 3 286.332 -1.285 20 0 CAADHN CC[C@H](CNC(=O)CNC(C)=O)N[C@@H]1CCNC1=O ZINC001400774765 889120004 /nfs/dbraw/zinc/12/00/04/889120004.db2.gz ZBTUECDFOFLKKD-NXEZZACHSA-N 0 3 270.333 -1.505 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)NC1CC1 ZINC001400800192 889121204 /nfs/dbraw/zinc/12/12/04/889121204.db2.gz RSUJDRDGIACGHC-IUCAKERBSA-N 0 3 299.375 -1.194 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)NCC(N)=O ZINC001400862237 889121229 /nfs/dbraw/zinc/12/12/29/889121229.db2.gz SEYSJXAWMODRNE-XHNCKOQMSA-N 0 3 286.332 -2.011 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)CS(C)(=O)=O ZINC001400805487 889121317 /nfs/dbraw/zinc/12/13/17/889121317.db2.gz YTUNWZJHHPFFKF-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)CN1CCOCC1)C1CC1 ZINC001400977719 889121413 /nfs/dbraw/zinc/12/14/13/889121413.db2.gz OBSYLISACRSODF-CQSZACIVSA-N 0 3 298.387 -1.322 20 0 CAADHN CC[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)NCC(N)=O ZINC001400876172 889121422 /nfs/dbraw/zinc/12/14/22/889121422.db2.gz ZJZMGBGSLHMMOS-MRVPVSSYSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)NC1CC1 ZINC001400847210 889121479 /nfs/dbraw/zinc/12/14/79/889121479.db2.gz GUOARGXOXXAQLO-GDPRMGEGSA-N 0 3 296.371 -1.129 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)CC1=O ZINC001401008942 889121523 /nfs/dbraw/zinc/12/15/23/889121523.db2.gz SKFXNNWPSCZBBD-XPTSAGLGSA-N 0 3 296.371 -1.176 20 0 CAADHN CC[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)NCC(N)=O ZINC001400838152 889121534 /nfs/dbraw/zinc/12/15/34/889121534.db2.gz ZAKVVLVFEFVDLT-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)N[C@H](C)C(=O)NC ZINC001400829070 889121594 /nfs/dbraw/zinc/12/15/94/889121594.db2.gz KABJRQSAQGCCAX-HTQZYQBOSA-N 0 3 283.336 -1.557 20 0 CAADHN CC[C@H](CNC(=O)c1cc2n(n1)CCO2)NCC(N)=O ZINC001400814382 889121892 /nfs/dbraw/zinc/12/18/92/889121892.db2.gz QBMVAEIQIYZFQK-MRVPVSSYSA-N 0 3 281.316 -1.141 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)CS(C)(=O)=O ZINC001400805492 889121951 /nfs/dbraw/zinc/12/19/51/889121951.db2.gz YTUNWZJHHPFFKF-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN CC[C@@H](CNC(=O)c1cc2n(n1)CCO2)NCC(N)=O ZINC001400814385 889122190 /nfs/dbraw/zinc/12/21/90/889122190.db2.gz QBMVAEIQIYZFQK-QMMMGPOBSA-N 0 3 281.316 -1.141 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001400999749 889122203 /nfs/dbraw/zinc/12/22/03/889122203.db2.gz PQDYJBYUYHGQGZ-CQSZACIVSA-N 0 3 296.371 -1.128 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001401002969 889122334 /nfs/dbraw/zinc/12/23/34/889122334.db2.gz VQJCGXWBPKVGKJ-ZDUSSCGKSA-N 0 3 299.375 -1.335 20 0 CAADHN CC[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)NCC(N)=O ZINC001400838160 889122550 /nfs/dbraw/zinc/12/25/50/889122550.db2.gz ZAKVVLVFEFVDLT-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1COC(=O)N1 ZINC001400816862 889122699 /nfs/dbraw/zinc/12/26/99/889122699.db2.gz QAPYLPFSEDXOCI-RKDXNWHRSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001401090573 889123950 /nfs/dbraw/zinc/12/39/50/889123950.db2.gz NFBGTPRLIUWWNG-BBBLOLIVSA-N 0 3 282.344 -1.281 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)[C@H](C)NC(N)=O ZINC001401083831 889123971 /nfs/dbraw/zinc/12/39/71/889123971.db2.gz LFFCNWGBHPFEDR-KXUCPTDWSA-N 0 3 299.375 -1.242 20 0 CAADHN CN1C[C@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)CC1=O ZINC001401087089 889124067 /nfs/dbraw/zinc/12/40/67/889124067.db2.gz SWUJCPGJOSVJAF-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)CC1=O ZINC001401087092 889124487 /nfs/dbraw/zinc/12/44/87/889124487.db2.gz SWUJCPGJOSVJAF-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001401087549 889125043 /nfs/dbraw/zinc/12/50/43/889125043.db2.gz PPFJNOKSHUUVMU-DTWKUNHWSA-N 0 3 293.327 -1.162 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001401084699 889125379 /nfs/dbraw/zinc/12/53/79/889125379.db2.gz SEWNCOQGNMZWST-MRVPVSSYSA-N 0 3 279.300 -1.138 20 0 CAADHN CCN1C[C@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)CC1=O ZINC001401086976 889125550 /nfs/dbraw/zinc/12/55/50/889125550.db2.gz RMVWASTUFBWOLJ-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)CCn1cnnn1)C(N)=O ZINC001401091595 889125691 /nfs/dbraw/zinc/12/56/91/889125691.db2.gz CSPAIBKWHRJIEV-VHSXEESVSA-N 0 3 295.347 -1.482 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001401090568 889125835 /nfs/dbraw/zinc/12/58/35/889125835.db2.gz NFBGTPRLIUWWNG-AEJSXWLSSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@H](CNC(=O)CCc1nnc[n-]1)C[NH2+][C@@H]1CCNC1=O ZINC001401109978 889125880 /nfs/dbraw/zinc/12/58/80/889125880.db2.gz QIQGGQZESRJIIN-VHSXEESVSA-N 0 3 294.359 -1.032 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001401083478 889126067 /nfs/dbraw/zinc/12/60/67/889126067.db2.gz DKUPQZHNXMSIKV-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](O)CN1CCO[C@H](CNC(=O)CCc2cnn[nH]2)C1 ZINC001401171219 889127094 /nfs/dbraw/zinc/12/70/94/889127094.db2.gz USHFMKHQURVVHO-CMPLNLGQSA-N 0 3 297.359 -1.065 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@H]1CCCNC1=O ZINC001401133142 889127697 /nfs/dbraw/zinc/12/76/97/889127697.db2.gz AJOIXXABCPVAEP-ZJUUUORDSA-N 0 3 294.359 -1.032 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1nnc[n-]1 ZINC001401142002 889127746 /nfs/dbraw/zinc/12/77/46/889127746.db2.gz XRRSNCBLBDMQGA-IUCAKERBSA-N 0 3 282.348 -1.176 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001401229800 889130508 /nfs/dbraw/zinc/13/05/08/889130508.db2.gz WVXXPHAQQSYCOS-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001401229797 889130730 /nfs/dbraw/zinc/13/07/30/889130730.db2.gz WVXXPHAQQSYCOS-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001401195846 889130756 /nfs/dbraw/zinc/13/07/56/889130756.db2.gz ATLDSQXVRHXQHW-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)COCc1ccnn1C ZINC001401227980 889130882 /nfs/dbraw/zinc/13/08/82/889130882.db2.gz HOMSPSPLOOQPBT-JTQLQIEISA-N 0 3 297.359 -1.142 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001401230063 889131036 /nfs/dbraw/zinc/13/10/36/889131036.db2.gz UGTNXYPVCJGTGM-ZJUUUORDSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CCn1cnnn1 ZINC001401255996 889131197 /nfs/dbraw/zinc/13/11/97/889131197.db2.gz MGODXANRUBRLOX-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)COC ZINC001401198815 889131432 /nfs/dbraw/zinc/13/14/32/889131432.db2.gz PORNSOIISVAGQD-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)CCOC ZINC001401193023 889131498 /nfs/dbraw/zinc/13/14/98/889131498.db2.gz BIPZMTWIBUTFMR-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)Cn1ncn(C)c1=O ZINC001401224964 889131658 /nfs/dbraw/zinc/13/16/58/889131658.db2.gz OFQKWBUGAOTCPR-QMMMGPOBSA-N 0 3 284.320 -2.496 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001401213372 889131730 /nfs/dbraw/zinc/13/17/30/889131730.db2.gz XDWYHXVTPCXTMX-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001401230050 889131822 /nfs/dbraw/zinc/13/18/22/889131822.db2.gz UGTNXYPVCJGTGM-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2COC(=O)N2)CCCC1 ZINC001401178444 889132255 /nfs/dbraw/zinc/13/22/55/889132255.db2.gz AEMYQYWKWQVSPZ-QMMMGPOBSA-N 0 3 284.316 -1.401 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001401217061 889132309 /nfs/dbraw/zinc/13/23/09/889132309.db2.gz SLOZMCVUAFMESO-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCN1CCOCC1 ZINC001401253108 889132516 /nfs/dbraw/zinc/13/25/16/889132516.db2.gz BASXNAOLQMKMIO-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001401217069 889132911 /nfs/dbraw/zinc/13/29/11/889132911.db2.gz SLOZMCVUAFMESO-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001401252911 889132941 /nfs/dbraw/zinc/13/29/41/889132941.db2.gz ASRWFAWHDDGWND-QMMMGPOBSA-N 0 3 299.331 -2.150 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)Cn1cncn1)C(C)C ZINC001401351265 889133898 /nfs/dbraw/zinc/13/38/98/889133898.db2.gz HFXMSVHEKHPVSK-JTQLQIEISA-N 0 3 282.348 -1.246 20 0 CAADHN CC(C)[C@H](CNC(=O)CNC(=O)C1CC1)NCC(N)=O ZINC001401323546 889134021 /nfs/dbraw/zinc/13/40/21/889134021.db2.gz VUSACHUOGFHGJI-JTQLQIEISA-N 0 3 284.360 -1.272 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(N)=O ZINC001401329610 889134114 /nfs/dbraw/zinc/13/41/14/889134114.db2.gz DIRQABZFHHAQKV-YUMQZZPRSA-N 0 3 271.321 -2.117 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CCNC(N)=O)C(C)C ZINC001401359147 889134357 /nfs/dbraw/zinc/13/43/57/889134357.db2.gz UXLUVYAKTPCWSO-VIFPVBQESA-N 0 3 287.364 -1.479 20 0 CAADHN CC(C)[C@H](CNC(=O)CN1CCNC(=O)C1)NCC(N)=O ZINC001401339134 889135598 /nfs/dbraw/zinc/13/55/98/889135598.db2.gz ORTYXENBGYZZEI-JTQLQIEISA-N 0 3 299.375 -2.366 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)Cn1cnnn1 ZINC001401355188 889135766 /nfs/dbraw/zinc/13/57/66/889135766.db2.gz MIWOBXOBHLUJPG-SNVBAGLBSA-N 0 3 286.336 -1.929 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C(C)C ZINC001401343188 889135797 /nfs/dbraw/zinc/13/57/97/889135797.db2.gz XJQOLVQLTAEWLV-UWVGGRQHSA-N 0 3 299.375 -1.514 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)Cn1cncn1)C(C)C ZINC001401351266 889136016 /nfs/dbraw/zinc/13/60/16/889136016.db2.gz HFXMSVHEKHPVSK-SNVBAGLBSA-N 0 3 282.348 -1.246 20 0 CAADHN CNS(=O)(=O)CCC(=O)N(C)CCN(C)CCO ZINC001401373176 889136035 /nfs/dbraw/zinc/13/60/35/889136035.db2.gz WWLJTQYERBOFJO-UHFFFAOYSA-N 0 3 281.378 -1.692 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)NCC(N)=O ZINC001401326710 889136538 /nfs/dbraw/zinc/13/65/38/889136538.db2.gz CBGHXWPPBTZCGP-IUCAKERBSA-N 0 3 293.389 -1.365 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001401360061 889136844 /nfs/dbraw/zinc/13/68/44/889136844.db2.gz RHYWQCSRLVZRSF-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnns1)C(N)=O ZINC001401480042 889138351 /nfs/dbraw/zinc/13/83/51/889138351.db2.gz ASPRXBDYDJXRLX-PHDIDXHHSA-N 0 3 273.318 -1.908 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)[C@H]2CCOC2)n[nH]1 ZINC001401480468 889138596 /nfs/dbraw/zinc/13/85/96/889138596.db2.gz BDBBYWHICRCPEN-VHSXEESVSA-N 0 3 283.332 -1.284 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C)nn1C ZINC001401484460 889138752 /nfs/dbraw/zinc/13/87/52/889138752.db2.gz GBCPBLNUQSSUMV-SNVBAGLBSA-N 0 3 297.359 -1.455 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccccn1 ZINC001401492015 889139037 /nfs/dbraw/zinc/13/90/37/889139037.db2.gz XHQSMPFCNXXHOR-SNVBAGLBSA-N 0 3 280.328 -1.102 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccccn1 ZINC001401492007 889139129 /nfs/dbraw/zinc/13/91/29/889139129.db2.gz XHQSMPFCNXXHOR-JTQLQIEISA-N 0 3 280.328 -1.102 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnns1)C(N)=O ZINC001401480026 889139231 /nfs/dbraw/zinc/13/92/31/889139231.db2.gz ASPRXBDYDJXRLX-NTSWFWBYSA-N 0 3 273.318 -1.908 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)cn1 ZINC001401483480 889139268 /nfs/dbraw/zinc/13/92/68/889139268.db2.gz JOQCJFBKHCHOBU-NSHDSACASA-N 0 3 295.343 -1.621 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cn[nH]c1)C(=O)NC1CC1 ZINC001401485747 889139354 /nfs/dbraw/zinc/13/93/54/889139354.db2.gz HQOMSPDFRIMOQI-LDYMZIIASA-N 0 3 295.343 -1.243 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cc(C)nn1C ZINC001401484456 889140218 /nfs/dbraw/zinc/14/02/18/889140218.db2.gz GBCPBLNUQSSUMV-JTQLQIEISA-N 0 3 297.359 -1.455 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1CC1)N1CCOCC1 ZINC001401487596 889140299 /nfs/dbraw/zinc/14/02/99/889140299.db2.gz LOYLDNGGASDGQT-NSHDSACASA-N 0 3 285.344 -1.678 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001401489035 889140478 /nfs/dbraw/zinc/14/04/78/889140478.db2.gz LKEAPPBCSIYWOW-NWDGAFQWSA-N 0 3 298.343 -1.598 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)NC(C)C)[nH]n1 ZINC001401484113 889140651 /nfs/dbraw/zinc/14/06/51/889140651.db2.gz DSAZVBQQVRHEEG-JTQLQIEISA-N 0 3 297.359 -1.077 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1=COCCO1)C(N)=O ZINC001401493051 889142121 /nfs/dbraw/zinc/14/21/21/889142121.db2.gz PJOWOUJTLRWHTM-YUMQZZPRSA-N 0 3 273.289 -2.185 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1cnn(C)c1)C(N)=O ZINC001401498071 889142157 /nfs/dbraw/zinc/14/21/57/889142157.db2.gz NFMXDSOODZCXOE-WPRPVWTQSA-N 0 3 283.332 -2.097 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)C1=CCOCC1 ZINC001401496653 889142191 /nfs/dbraw/zinc/14/21/91/889142191.db2.gz KQSNHTFPMBNVJX-NWDGAFQWSA-N 0 3 297.355 -1.322 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001401493632 889142482 /nfs/dbraw/zinc/14/24/82/889142482.db2.gz BXMVXFWJJJINRW-GXSJLCMTSA-N 0 3 297.359 -1.836 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCCO1)NC1CC1 ZINC001401493166 889142531 /nfs/dbraw/zinc/14/25/31/889142531.db2.gz RVAISDKPDCIYOU-GHMZBOCLSA-N 0 3 285.344 -1.489 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001401497014 889142848 /nfs/dbraw/zinc/14/28/48/889142848.db2.gz DXWZFGFIXDGJRZ-SECBINFHSA-N 0 3 283.332 -1.384 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001401495538 889143357 /nfs/dbraw/zinc/14/33/57/889143357.db2.gz CHHFQEMRBDPHEY-NSHDSACASA-N 0 3 297.359 -1.835 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001401493657 889143423 /nfs/dbraw/zinc/14/34/23/889143423.db2.gz BXMVXFWJJJINRW-MWLCHTKSSA-N 0 3 297.359 -1.836 20 0 CAADHN CN1CCC[C@@H](NC[C@@H](O)CNC(=O)c2cocn2)C1=O ZINC001401497940 889143550 /nfs/dbraw/zinc/14/35/50/889143550.db2.gz MYRGLSGEIKTCMO-NXEZZACHSA-N 0 3 296.327 -1.024 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001401495535 889143793 /nfs/dbraw/zinc/14/37/93/889143793.db2.gz CHHFQEMRBDPHEY-LLVKDONJSA-N 0 3 297.359 -1.835 20 0 CAADHN Cc1ccnc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1 ZINC001401496269 889144018 /nfs/dbraw/zinc/14/40/18/889144018.db2.gz UIGCSSMNUSILOC-ZJUUUORDSA-N 0 3 293.327 -1.646 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1ccncc1C ZINC001401494019 889144093 /nfs/dbraw/zinc/14/40/93/889144093.db2.gz AJDHRZLTNCGOIX-LBPRGKRZSA-N 0 3 294.355 -1.255 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](O)CNCc1ccns1 ZINC001401493481 889144132 /nfs/dbraw/zinc/14/41/32/889144132.db2.gz SIGAIVIGKYDIGF-MRVPVSSYSA-N 0 3 297.344 -1.604 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCn1cccn1)C(N)=O ZINC001401494278 889144156 /nfs/dbraw/zinc/14/41/56/889144156.db2.gz SQDDBCKJDPJGJV-ZJUUUORDSA-N 0 3 283.332 -1.786 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1ccon1 ZINC001401495530 889144251 /nfs/dbraw/zinc/14/42/51/889144251.db2.gz QAPPLRCBAXCCTP-VIFPVBQESA-N 0 3 284.316 -1.121 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCCO1)NC1CC1 ZINC001401493257 889144263 /nfs/dbraw/zinc/14/42/63/889144263.db2.gz RVAISDKPDCIYOU-MNOVXSKESA-N 0 3 285.344 -1.489 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001401497457 889144344 /nfs/dbraw/zinc/14/43/44/889144344.db2.gz DXWZFGFIXDGJRZ-VIFPVBQESA-N 0 3 283.332 -1.384 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001401493755 889144520 /nfs/dbraw/zinc/14/45/20/889144520.db2.gz RMVYXNVDCXDDJT-JTQLQIEISA-N 0 3 297.359 -1.043 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001401493512 889144535 /nfs/dbraw/zinc/14/45/35/889144535.db2.gz BRSBUNSYICCDQJ-JGVFFNPUSA-N 0 3 284.320 -2.148 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001401504753 889145602 /nfs/dbraw/zinc/14/56/02/889145602.db2.gz JAHSKMUVXWJJGP-CMPLNLGQSA-N 0 3 287.360 -1.698 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001401505606 889145651 /nfs/dbraw/zinc/14/56/51/889145651.db2.gz UAKNWWOURNJLQL-SNVBAGLBSA-N 0 3 271.317 -1.854 20 0 CAADHN CC(C)OCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001401501506 889145754 /nfs/dbraw/zinc/14/57/54/889145754.db2.gz WAYUEYTZCVIGBD-UWVGGRQHSA-N 0 3 273.333 -1.633 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001401507751 889145862 /nfs/dbraw/zinc/14/58/62/889145862.db2.gz OIBJRPWVZOPMPO-VHSXEESVSA-N 0 3 295.343 -1.371 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)c1N ZINC001401502014 889146315 /nfs/dbraw/zinc/14/63/15/889146315.db2.gz QALJRVLLOZMMLX-SSDOTTSWSA-N 0 3 284.320 -2.571 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CNCC(=O)NC)cn1 ZINC001401502071 889146330 /nfs/dbraw/zinc/14/63/30/889146330.db2.gz FSVWYXDULYVQDS-JTQLQIEISA-N 0 3 283.332 -1.671 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)nnn1C ZINC001401503626 889146660 /nfs/dbraw/zinc/14/66/60/889146660.db2.gz HFHXPCOGQCWNKQ-VIFPVBQESA-N 0 3 298.347 -2.108 20 0 CAADHN CC(C)OCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001401501503 889146966 /nfs/dbraw/zinc/14/69/66/889146966.db2.gz WAYUEYTZCVIGBD-NXEZZACHSA-N 0 3 273.333 -1.633 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001401503837 889147025 /nfs/dbraw/zinc/14/70/25/889147025.db2.gz HMTZEJRNLSOPBU-XPUUQOCRSA-N 0 3 293.345 -3.029 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(C)nn1C ZINC001401501538 889147041 /nfs/dbraw/zinc/14/70/41/889147041.db2.gz WBBRPRFOOWTTOJ-VIFPVBQESA-N 0 3 283.332 -1.845 20 0 CAADHN O=C(NC[C@H](O)CNCc1ccccn1)[C@@H]1COC(=O)N1 ZINC001401504958 889147061 /nfs/dbraw/zinc/14/70/61/889147061.db2.gz JIKAYYDETQVWNN-MNOVXSKESA-N 0 3 294.311 -1.243 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001401498416 889147084 /nfs/dbraw/zinc/14/70/84/889147084.db2.gz FWSJBPCAJCJZNX-ZJUUUORDSA-N 0 3 295.343 -1.323 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C)nn1C ZINC001401501518 889147194 /nfs/dbraw/zinc/14/71/94/889147194.db2.gz WBBRPRFOOWTTOJ-SECBINFHSA-N 0 3 283.332 -1.845 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccnn1C)C(N)=O ZINC001401502607 889147602 /nfs/dbraw/zinc/14/76/02/889147602.db2.gz PMUNTRGQLIDJLJ-DTWKUNHWSA-N 0 3 283.332 -1.636 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)cn1 ZINC001401518584 889148970 /nfs/dbraw/zinc/14/89/70/889148970.db2.gz UJTWBXYRDLHWEP-NEPJUHHUSA-N 0 3 292.339 -1.041 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCCCO1 ZINC001401517197 889149173 /nfs/dbraw/zinc/14/91/73/889149173.db2.gz OSZXNOOYKDMSIK-MNOVXSKESA-N 0 3 287.360 -1.242 20 0 CAADHN O=C(Cc1ccon1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001401508640 889149405 /nfs/dbraw/zinc/14/94/05/889149405.db2.gz MBSQAPCWASMUSA-LLVKDONJSA-N 0 3 296.327 -1.484 20 0 CAADHN O=C(NC[C@H](O)CNCc1ccns1)[C@H]1CCC(=O)N1 ZINC001401512684 889149443 /nfs/dbraw/zinc/14/94/43/889149443.db2.gz YATNUZBHOCYIFG-PSASIEDQSA-N 0 3 298.368 -1.012 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1n[nH]c(C)c1C ZINC001401514504 889149464 /nfs/dbraw/zinc/14/94/64/889149464.db2.gz UKHIFIFFKIDTCO-SECBINFHSA-N 0 3 283.332 -1.547 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ncc(F)cc1F ZINC001401532778 889149480 /nfs/dbraw/zinc/14/94/80/889149480.db2.gz BOVAJBDZGQIGLE-SSDOTTSWSA-N 0 3 288.254 -1.475 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)cn1 ZINC001401518691 889149499 /nfs/dbraw/zinc/14/94/99/889149499.db2.gz UJTWBXYRDLHWEP-VXGBXAGGSA-N 0 3 292.339 -1.041 20 0 CAADHN Cn1cc(CC(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)cn1 ZINC001401508866 889149664 /nfs/dbraw/zinc/14/96/64/889149664.db2.gz UMKLBFADYRCOPQ-GHMZBOCLSA-N 0 3 295.343 -2.082 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC ZINC001401517684 889149707 /nfs/dbraw/zinc/14/97/07/889149707.db2.gz YAGTYZQGDJSRFF-BDAKNGLRSA-N 0 3 298.347 -1.887 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cncnc1)NC1CC1 ZINC001401509627 889149780 /nfs/dbraw/zinc/14/97/80/889149780.db2.gz ZIBRQZDVBIJUPF-LLVKDONJSA-N 0 3 293.327 -1.565 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cc(C)ncn1 ZINC001401520964 889149920 /nfs/dbraw/zinc/14/99/20/889149920.db2.gz RWXFRTWWUJNJOW-UWVGGRQHSA-N 0 3 295.343 -1.400 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001401512726 889150062 /nfs/dbraw/zinc/15/00/62/889150062.db2.gz VGEWPJUXMLZRGZ-JTQLQIEISA-N 0 3 296.327 -1.058 20 0 CAADHN Cn1cc(CC(=O)NC[C@H](O)CN[C@H]2CCNC2=O)cn1 ZINC001401508870 889150177 /nfs/dbraw/zinc/15/01/77/889150177.db2.gz UMKLBFADYRCOPQ-MNOVXSKESA-N 0 3 295.343 -2.082 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1n[nH]cc1C)C(N)=O ZINC001401511537 889150198 /nfs/dbraw/zinc/15/01/98/889150198.db2.gz UDSCOKWYTAERPO-IUCAKERBSA-N 0 3 283.332 -1.338 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cncc(F)c1 ZINC001401517592 889150308 /nfs/dbraw/zinc/15/03/08/889150308.db2.gz PMLRIVOQOFZALP-GHMZBOCLSA-N 0 3 296.302 -1.211 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001401511684 889150614 /nfs/dbraw/zinc/15/06/14/889150614.db2.gz RQNICGKIXNRHTJ-FXQIFTODSA-N 0 3 279.287 -1.300 20 0 CAADHN O=C(Cc1ccon1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001401508642 889150703 /nfs/dbraw/zinc/15/07/03/889150703.db2.gz MBSQAPCWASMUSA-NSHDSACASA-N 0 3 296.327 -1.484 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001401510451 889150957 /nfs/dbraw/zinc/15/09/57/889150957.db2.gz OKRTVNZDEURQBD-PSASIEDQSA-N 0 3 283.332 -1.543 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)cn1 ZINC001401508774 889150976 /nfs/dbraw/zinc/15/09/76/889150976.db2.gz MQNTYJPICNQTIU-QWRGUYRKSA-N 0 3 295.343 -1.528 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1ccon1 ZINC001401518219 889151168 /nfs/dbraw/zinc/15/11/68/889151168.db2.gz XRBDTHSOSICRHK-JTQLQIEISA-N 0 3 284.316 -1.580 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cc(C)ncn1 ZINC001401520957 889151372 /nfs/dbraw/zinc/15/13/72/889151372.db2.gz RWXFRTWWUJNJOW-NXEZZACHSA-N 0 3 295.343 -1.400 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)nn1 ZINC001401508596 889151517 /nfs/dbraw/zinc/15/15/17/889151517.db2.gz OOVOBQMWYFICQJ-DTWKUNHWSA-N 0 3 296.331 -2.274 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC1(F)F ZINC001401537909 889152588 /nfs/dbraw/zinc/15/25/88/889152588.db2.gz JAMCXQCMQGDCCI-JGVFFNPUSA-N 0 3 279.287 -1.156 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(OC)ccn1 ZINC001401548226 889152754 /nfs/dbraw/zinc/15/27/54/889152754.db2.gz GHOJLLBKBQJNRA-VIFPVBQESA-N 0 3 296.327 -1.484 20 0 CAADHN O=C(Cc1cnoc1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001401541899 889152920 /nfs/dbraw/zinc/15/29/20/889152920.db2.gz AUYYJLQZBLHACV-UWVGGRQHSA-N 0 3 282.300 -1.828 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001401550637 889152950 /nfs/dbraw/zinc/15/29/50/889152950.db2.gz YRORYWCBGBRUEN-GXSJLCMTSA-N 0 3 295.343 -2.003 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001401548245 889152998 /nfs/dbraw/zinc/15/29/98/889152998.db2.gz XKLTZMQDJKOAGP-YUMQZZPRSA-N 0 3 297.315 -2.003 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnn2ncccc12 ZINC001401545950 889153136 /nfs/dbraw/zinc/15/31/36/889153136.db2.gz TUDOENPCQCWMGW-MRVPVSSYSA-N 0 3 292.299 -2.105 20 0 CAADHN COc1nc(C(=O)NC[C@H](O)CNCC(N)=O)co1 ZINC001401540179 889153233 /nfs/dbraw/zinc/15/32/33/889153233.db2.gz DPRUCDWNOALSSD-ZCFIWIBFSA-N 0 3 272.261 -2.151 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1n[nH]cc1F ZINC001401539807 889153254 /nfs/dbraw/zinc/15/32/54/889153254.db2.gz CYSBLKBFFXDIHK-HTRCEHHLSA-N 0 3 285.279 -1.882 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)CCC(F)F ZINC001401544505 889153384 /nfs/dbraw/zinc/15/33/84/889153384.db2.gz GHPJIEPRSYNLTH-LURJTMIESA-N 0 3 296.274 -1.707 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001401548184 889153481 /nfs/dbraw/zinc/15/34/81/889153481.db2.gz XKLTZMQDJKOAGP-HTQZYQBOSA-N 0 3 297.315 -2.003 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)[nH]1 ZINC001401549067 889153559 /nfs/dbraw/zinc/15/35/59/889153559.db2.gz CCHDZDYPHGRQCH-CBAPKCEASA-N 0 3 283.332 -1.419 20 0 CAADHN Cc1nn(C)cc1CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001401551290 889153617 /nfs/dbraw/zinc/15/36/17/889153617.db2.gz ZIQWRSHBGAWRPY-GXSJLCMTSA-N 0 3 297.359 -1.788 20 0 CAADHN Cc1nn(C)cc1CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001401551301 889153679 /nfs/dbraw/zinc/15/36/79/889153679.db2.gz ZIQWRSHBGAWRPY-MWLCHTKSSA-N 0 3 297.359 -1.788 20 0 CAADHN Cc1nn(C)cc1CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001401551297 889154237 /nfs/dbraw/zinc/15/42/37/889154237.db2.gz ZIQWRSHBGAWRPY-KOLCDFICSA-N 0 3 297.359 -1.788 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc2n(n1)CCO2 ZINC001401540716 889154363 /nfs/dbraw/zinc/15/43/63/889154363.db2.gz AZESLCWPCATMPA-ZETCQYMHSA-N 0 3 283.288 -2.559 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(OC)n(C)n1 ZINC001401541544 889154443 /nfs/dbraw/zinc/15/44/43/889154443.db2.gz DAWARPBUVSDPQT-QMMMGPOBSA-N 0 3 299.331 -2.145 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(OC)nc1 ZINC001401536517 889154628 /nfs/dbraw/zinc/15/46/28/889154628.db2.gz JACADIKQXGONRG-JTQLQIEISA-N 0 3 296.327 -1.484 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cccc(=O)n1C)C(N)=O ZINC001401548534 889154751 /nfs/dbraw/zinc/15/47/51/889154751.db2.gz QCNYSCOAKNAPPN-IUCAKERBSA-N 0 3 296.327 -2.061 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1csnn1 ZINC001401550879 889154917 /nfs/dbraw/zinc/15/49/17/889154917.db2.gz QKFRPMQQOKBNFY-SSDOTTSWSA-N 0 3 287.345 -1.693 20 0 CAADHN CC(C)Cn1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001401549570 889155030 /nfs/dbraw/zinc/15/50/30/889155030.db2.gz YGFZCMZYOXYHOW-JTQLQIEISA-N 0 3 297.359 -1.295 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cnoc1 ZINC001401552443 889155871 /nfs/dbraw/zinc/15/58/71/889155871.db2.gz KHJWYNXVTQSXOI-SECBINFHSA-N 0 3 270.289 -1.970 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001401564466 889155893 /nfs/dbraw/zinc/15/58/93/889155893.db2.gz KMXFHAYXEYVAMZ-YUMQZZPRSA-N 0 3 283.332 -1.474 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001401556409 889156234 /nfs/dbraw/zinc/15/62/34/889156234.db2.gz ADVANWIYARPRFS-WCBMZHEXSA-N 0 3 295.343 -1.459 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001401558191 889156648 /nfs/dbraw/zinc/15/66/48/889156648.db2.gz FJGDZPMRMSQBSV-YUMQZZPRSA-N 0 3 284.320 -2.370 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cccnc1C ZINC001401564931 889156690 /nfs/dbraw/zinc/15/66/90/889156690.db2.gz YAWMLEGFMJOLDV-LBPRGKRZSA-N 0 3 294.355 -1.255 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001401564001 889156800 /nfs/dbraw/zinc/15/68/00/889156800.db2.gz PPVSUPCGNVTIOW-ZJUUUORDSA-N 0 3 288.348 -2.741 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1C ZINC001401563504 889156839 /nfs/dbraw/zinc/15/68/39/889156839.db2.gz HYQYGNUXCDRYOO-NXEZZACHSA-N 0 3 295.343 -1.703 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001401553992 889156857 /nfs/dbraw/zinc/15/68/57/889156857.db2.gz JNWFSPPEPBWNOK-QMMMGPOBSA-N 0 3 299.335 -2.583 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1C ZINC001401563515 889156873 /nfs/dbraw/zinc/15/68/73/889156873.db2.gz HYQYGNUXCDRYOO-UWVGGRQHSA-N 0 3 295.343 -1.703 20 0 CAADHN COc1ccc(CC(=O)NC[C@H](O)CNCC(N)=O)cc1 ZINC001401557745 889156928 /nfs/dbraw/zinc/15/69/28/889156928.db2.gz AUPMMUMDOISUIZ-LLVKDONJSA-N 0 3 295.339 -1.210 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001401564515 889157046 /nfs/dbraw/zinc/15/70/46/889157046.db2.gz CMIVKHKTDWJDRV-OKOXNUMESA-N 0 3 281.356 -1.170 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)n1 ZINC001401556099 889157073 /nfs/dbraw/zinc/15/70/73/889157073.db2.gz BTNSHLIELMRIIT-BDAKNGLRSA-N 0 3 296.331 -2.226 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1(C(F)F)CCC1 ZINC001401563584 889157116 /nfs/dbraw/zinc/15/71/16/889157116.db2.gz IEQRKDVXFKPXLL-SSDOTTSWSA-N 0 3 279.287 -1.026 20 0 CAADHN Cc1nn(C)cc1CCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001401557870 889157463 /nfs/dbraw/zinc/15/74/63/889157463.db2.gz LCTOVRQRPBPUBG-NSHDSACASA-N 0 3 297.359 -1.787 20 0 CAADHN Cc1nn(C)cc1CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001401551303 889157557 /nfs/dbraw/zinc/15/75/57/889157557.db2.gz ZIQWRSHBGAWRPY-ONGXEEELSA-N 0 3 297.359 -1.788 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNCc1ncnn1C)N(C)C ZINC001401551746 889157579 /nfs/dbraw/zinc/15/75/79/889157579.db2.gz HBWWWKWCEZJRCP-MNOVXSKESA-N 0 3 298.391 -1.278 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)CCC1 ZINC001401553308 889157760 /nfs/dbraw/zinc/15/77/60/889157760.db2.gz QVOBXPWQAJNVDC-ZJUUUORDSA-N 0 3 287.360 -1.256 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)CCC1 ZINC001401553306 889158012 /nfs/dbraw/zinc/15/80/12/889158012.db2.gz QVOBXPWQAJNVDC-VHSXEESVSA-N 0 3 287.360 -1.256 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1cnoc1)C(N)=O ZINC001401565005 889158353 /nfs/dbraw/zinc/15/83/53/889158353.db2.gz YHYHQHULRPRUOJ-NXEZZACHSA-N 0 3 284.316 -1.452 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1noc2c1CCCC2 ZINC001401561972 889158582 /nfs/dbraw/zinc/15/85/82/889158582.db2.gz VWCDEUHESADKME-MRVPVSSYSA-N 0 3 296.327 -1.281 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnc(OC)nc1 ZINC001401571313 889159658 /nfs/dbraw/zinc/15/96/58/889159658.db2.gz SCWYEKDKBALEDT-SECBINFHSA-N 0 3 297.315 -2.089 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1COc2ccccc21 ZINC001401571318 889159745 /nfs/dbraw/zinc/15/97/45/889159745.db2.gz JXKWEZIGXFFAJZ-KOLCDFICSA-N 0 3 293.323 -1.285 20 0 CAADHN C[C@]1(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)CCOC1 ZINC001401574546 889160004 /nfs/dbraw/zinc/16/00/04/889160004.db2.gz LEGJIDPSKJHSKL-RISCZKNCSA-N 0 3 299.371 -1.242 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cn1nccc1C ZINC001401571129 889160809 /nfs/dbraw/zinc/16/08/09/889160809.db2.gz JNFKEAGPSHUXLY-LLVKDONJSA-N 0 3 297.359 -1.606 20 0 CAADHN CCCc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001401569915 889160917 /nfs/dbraw/zinc/16/09/17/889160917.db2.gz SHMOQKOPCBBOKB-IUCAKERBSA-N 0 3 297.359 -1.084 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001401568342 889161017 /nfs/dbraw/zinc/16/10/17/889161017.db2.gz HFAVSVKZOYWOBW-ZJUUUORDSA-N 0 3 283.332 -1.916 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1Cc2cccnc2C1 ZINC001401566139 889161574 /nfs/dbraw/zinc/16/15/74/889161574.db2.gz MCWSWEGQLSFCMX-WDEREUQCSA-N 0 3 292.339 -1.652 20 0 CAADHN CCCc1n[nH]cc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001401569916 889161689 /nfs/dbraw/zinc/16/16/89/889161689.db2.gz SHMOQKOPCBBOKB-RKDXNWHRSA-N 0 3 297.359 -1.084 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1[nH]cnc1C ZINC001401574316 889161851 /nfs/dbraw/zinc/16/18/51/889161851.db2.gz YNRZSJMPKDAVFE-JTQLQIEISA-N 0 3 297.359 -1.537 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001401576964 889163437 /nfs/dbraw/zinc/16/34/37/889163437.db2.gz ZORXBUJUWYGDEZ-VHSXEESVSA-N 0 3 296.327 -1.058 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cn1nccc1C ZINC001401576754 889163516 /nfs/dbraw/zinc/16/35/16/889163516.db2.gz PVQYEMACMHDPIE-MNOVXSKESA-N 0 3 297.359 -1.607 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCn1cccc1)C(N)=O ZINC001401574596 889163638 /nfs/dbraw/zinc/16/36/38/889163638.db2.gz LLJIWEOMDRZQRG-QWRGUYRKSA-N 0 3 282.344 -1.181 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cn1nccc1C ZINC001401576759 889163686 /nfs/dbraw/zinc/16/36/86/889163686.db2.gz PVQYEMACMHDPIE-WDEREUQCSA-N 0 3 297.359 -1.607 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC12CCOCC2 ZINC001401577471 889163991 /nfs/dbraw/zinc/16/39/91/889163991.db2.gz MONQGLKJXLOHDC-QWRGUYRKSA-N 0 3 299.371 -1.384 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(OC)nn1 ZINC001401574597 889164130 /nfs/dbraw/zinc/16/41/30/889164130.db2.gz WVRNFCDAENGUEB-MRVPVSSYSA-N 0 3 297.315 -2.089 20 0 CAADHN Cn1cnnc1CNC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001401582810 889164383 /nfs/dbraw/zinc/16/43/83/889164383.db2.gz PDJPPGBJDWVBLG-ZETCQYMHSA-N 0 3 280.292 -2.186 20 0 CAADHN Cn1cnnc1CNC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001401582810 889164393 /nfs/dbraw/zinc/16/43/93/889164393.db2.gz PDJPPGBJDWVBLG-ZETCQYMHSA-N 0 3 280.292 -2.186 20 0 CAADHN Cn1nnnc1CNC[C@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001401584621 889164801 /nfs/dbraw/zinc/16/48/01/889164801.db2.gz XQOVYWIJACMHKX-VIFPVBQESA-N 0 3 294.319 -2.257 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@@H](O)CNCC(=O)NC)n1 ZINC001401585679 889164929 /nfs/dbraw/zinc/16/49/29/889164929.db2.gz XMNYIMMIUUQPCQ-VIFPVBQESA-N 0 3 298.347 -1.967 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccn(C)n1)C(N)=O ZINC001401581772 889164983 /nfs/dbraw/zinc/16/49/83/889164983.db2.gz NVTQALMEJAEQNA-RKDXNWHRSA-N 0 3 283.332 -1.636 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1)NC1CC1 ZINC001401583268 889165141 /nfs/dbraw/zinc/16/51/41/889165141.db2.gz MFNUGESUUVHSPI-ZJUUUORDSA-N 0 3 298.343 -2.390 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@H](O)CNCC(=O)NC)n1 ZINC001401585671 889165929 /nfs/dbraw/zinc/16/59/29/889165929.db2.gz XMNYIMMIUUQPCQ-SECBINFHSA-N 0 3 298.347 -1.967 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001401576958 889166048 /nfs/dbraw/zinc/16/60/48/889166048.db2.gz ZORXBUJUWYGDEZ-NXEZZACHSA-N 0 3 296.327 -1.058 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H](C)CC(N)=O ZINC001401598753 889166861 /nfs/dbraw/zinc/16/68/61/889166861.db2.gz KXWGWZJDFHIEFY-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CCn1cnc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c1 ZINC001401586949 889166925 /nfs/dbraw/zinc/16/69/25/889166925.db2.gz QNMLRHKGNXTMAB-BDAKNGLRSA-N 0 3 283.332 -1.543 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001401597941 889166942 /nfs/dbraw/zinc/16/69/42/889166942.db2.gz BLOWFWPMXVMJJP-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001401607256 889167035 /nfs/dbraw/zinc/16/70/35/889167035.db2.gz WXTNWFAWIMWYJT-HZMBPMFUSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cccnn1)C(=O)N(C)C ZINC001401586908 889167108 /nfs/dbraw/zinc/16/71/08/889167108.db2.gz VKYUHSHMCOZDJT-UWVGGRQHSA-N 0 3 295.343 -1.366 20 0 CAADHN CCn1cnc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001401586953 889167171 /nfs/dbraw/zinc/16/71/71/889167171.db2.gz QNMLRHKGNXTMAB-IUCAKERBSA-N 0 3 283.332 -1.543 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)c1cccnc1 ZINC001401590721 889167207 /nfs/dbraw/zinc/16/72/07/889167207.db2.gz WFKXXTFRNDANBB-ZYHUDNBSSA-N 0 3 294.355 -1.002 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CN1CCCC1=O ZINC001401589699 889167248 /nfs/dbraw/zinc/16/72/48/889167248.db2.gz HKULJDOHYTWEIK-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H](C)NC(C)=O ZINC001401590316 889167288 /nfs/dbraw/zinc/16/72/88/889167288.db2.gz KFJZJLMPIBPGMT-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CN1CCCC1=O ZINC001401589700 889167438 /nfs/dbraw/zinc/16/74/38/889167438.db2.gz HKULJDOHYTWEIK-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cccnn1)C(=O)N(C)C ZINC001401586911 889167525 /nfs/dbraw/zinc/16/75/25/889167525.db2.gz VKYUHSHMCOZDJT-VHSXEESVSA-N 0 3 295.343 -1.366 20 0 CAADHN C[C@H](CN[C@H]1CCCN(C)C1=O)NC(=O)Cn1cnnn1 ZINC001401606124 889167684 /nfs/dbraw/zinc/16/76/84/889167684.db2.gz QFKVTCAULUYVQT-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)c1nnn(C)n1 ZINC001401596926 889167767 /nfs/dbraw/zinc/16/77/67/889167767.db2.gz FGRKLZZAZGHJDW-VIFPVBQESA-N 0 3 295.347 -1.460 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CN1CCCC1=O ZINC001401607120 889168126 /nfs/dbraw/zinc/16/81/26/889168126.db2.gz UEMSGJBUYZKWFR-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1ccc[nH]1 ZINC001401591325 889168156 /nfs/dbraw/zinc/16/81/56/889168156.db2.gz VIZUWSQWGDQUMI-NSHDSACASA-N 0 3 282.344 -1.240 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnon1)N1CCCC1 ZINC001401586752 889168397 /nfs/dbraw/zinc/16/83/97/889168397.db2.gz UVQAYDAJLSYGNA-VIFPVBQESA-N 0 3 297.315 -1.628 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cccnn1)C(=O)N(C)C ZINC001401586914 889168532 /nfs/dbraw/zinc/16/85/32/889168532.db2.gz VKYUHSHMCOZDJT-ZJUUUORDSA-N 0 3 295.343 -1.366 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)c1cccnc1 ZINC001401590719 889168570 /nfs/dbraw/zinc/16/85/70/889168570.db2.gz WFKXXTFRNDANBB-PWSUYJOCSA-N 0 3 294.355 -1.002 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H](C)NC(N)=O ZINC001401595749 889168693 /nfs/dbraw/zinc/16/86/93/889168693.db2.gz GPFLBTUGVKEMRI-YUMQZZPRSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)Cn1cnnn1 ZINC001401606119 889168727 /nfs/dbraw/zinc/16/87/27/889168727.db2.gz QFKVTCAULUYVQT-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001401597945 889168835 /nfs/dbraw/zinc/16/88/35/889168835.db2.gz BLOWFWPMXVMJJP-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCCNC1=O ZINC001401598334 889168924 /nfs/dbraw/zinc/16/89/24/889168924.db2.gz MZBCOEJYVNUFJC-PSASIEDQSA-N 0 3 270.333 -1.505 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001401610291 889168967 /nfs/dbraw/zinc/16/89/67/889168967.db2.gz NFBSVTZDSLMRID-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)CN1CCCC1=O ZINC001401603610 889168983 /nfs/dbraw/zinc/16/89/83/889168983.db2.gz KKCCJIOLMZZCOJ-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN1CCOCC1 ZINC001401612994 889169006 /nfs/dbraw/zinc/16/90/06/889169006.db2.gz ILGWKVBXRAUOPB-SNVBAGLBSA-N 0 3 272.349 -1.841 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1COC(=O)C1 ZINC001401613341 889169052 /nfs/dbraw/zinc/16/90/52/889169052.db2.gz VBXLOOQXTOOWKQ-BDAKNGLRSA-N 0 3 271.317 -1.220 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnco1 ZINC001401637352 889170487 /nfs/dbraw/zinc/17/04/87/889170487.db2.gz COPQNEBROJQITL-RQJHMYQMSA-N 0 3 283.288 -1.034 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001401628495 889170729 /nfs/dbraw/zinc/17/07/29/889170729.db2.gz YSDHKDDIJRQBHN-APPZFPTMSA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1ccc2n[nH]nc2n1 ZINC001401627421 889170847 /nfs/dbraw/zinc/17/08/47/889170847.db2.gz LODWLZMBVHGYPA-ZCFIWIBFSA-N 0 3 277.288 -1.454 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cnc(N(C)C)cn1 ZINC001401621466 889170856 /nfs/dbraw/zinc/17/08/56/889170856.db2.gz XYTXMDNXUUTEDQ-SECBINFHSA-N 0 3 294.359 -1.004 20 0 CAADHN Cc1c(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)cnn1C ZINC001401616556 889170899 /nfs/dbraw/zinc/17/08/99/889170899.db2.gz PQYJJCBWLIRZKB-SSDOTTSWSA-N 0 3 296.331 -1.369 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001401637507 889171088 /nfs/dbraw/zinc/17/10/88/889171088.db2.gz ICCBUFJCUUHTIQ-SECBINFHSA-N 0 3 297.363 -1.310 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)c1c[nH]c(=O)cn1 ZINC001401635740 889171114 /nfs/dbraw/zinc/17/11/14/889171114.db2.gz BVNYYIPRSHCXTQ-SECBINFHSA-N 0 3 293.327 -1.290 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001401627440 889171155 /nfs/dbraw/zinc/17/11/55/889171155.db2.gz YBNWFWDEZHSWKT-RKDXNWHRSA-N 0 3 288.348 -1.941 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cnc2n1CCOC2 ZINC001401628644 889171180 /nfs/dbraw/zinc/17/11/80/889171180.db2.gz QHDSBRSYZBNBSI-RKDXNWHRSA-N 0 3 295.343 -1.005 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1ncc[nH]1 ZINC001401622494 889171212 /nfs/dbraw/zinc/17/12/12/889171212.db2.gz FVCKFLBNTZWUBF-HTQZYQBOSA-N 0 3 296.331 -1.038 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001401628496 889171448 /nfs/dbraw/zinc/17/14/48/889171448.db2.gz YSDHKDDIJRQBHN-VXNVDRBHSA-N 0 3 291.373 -1.611 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001401627474 889171610 /nfs/dbraw/zinc/17/16/10/889171610.db2.gz JEBBZPDLVWRVLI-PSASIEDQSA-N 0 3 295.343 -1.933 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1cncnc1 ZINC001401617799 889171659 /nfs/dbraw/zinc/17/16/59/889171659.db2.gz OKXXXYJSRILOFN-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN Cn1nccc1C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001401638070 889171721 /nfs/dbraw/zinc/17/17/21/889171721.db2.gz TWLZZDJRVVWGDH-SNVBAGLBSA-N 0 3 293.331 -1.652 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)Cn1cccn1 ZINC001401616596 889171851 /nfs/dbraw/zinc/17/18/51/889171851.db2.gz QPVQQCGWGBRFGU-MRVPVSSYSA-N 0 3 282.304 -1.828 20 0 CAADHN C[C@H](CN[C@H]1CCCN(C)C1=O)NC(=O)Cn1ncnn1 ZINC001401618423 889171954 /nfs/dbraw/zinc/17/19/54/889171954.db2.gz LQPZSOAVQKMCRQ-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ncn(C)n1 ZINC001401622022 889172069 /nfs/dbraw/zinc/17/20/69/889172069.db2.gz JYDKKOBZLHIAIA-SSDOTTSWSA-N 0 3 294.319 -1.855 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cnccn1 ZINC001401662511 889173646 /nfs/dbraw/zinc/17/36/46/889173646.db2.gz CQXDISXVBDBPOF-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCN1CCOCC1 ZINC001401650181 889173683 /nfs/dbraw/zinc/17/36/83/889173683.db2.gz HPZCBZIWKQTSFG-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001401671630 889174237 /nfs/dbraw/zinc/17/42/37/889174237.db2.gz KORNKBXEUUDLBO-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)CCCC(N)=O ZINC001401670983 889174309 /nfs/dbraw/zinc/17/43/09/889174309.db2.gz REQKYGFFDRIUTH-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN Cc1nnc2n1C[C@@H](C(=O)N[C@H](C)CNCC(N)=O)CC2 ZINC001401669750 889174351 /nfs/dbraw/zinc/17/43/51/889174351.db2.gz MCJZEFWFFVDOIZ-SCZZXKLOSA-N 0 3 294.359 -1.271 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)CN1CCOCC1 ZINC001401677594 889174419 /nfs/dbraw/zinc/17/44/19/889174419.db2.gz UOBJUWBWVKLCLE-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1cccn(C)c1=O ZINC001401657117 889174541 /nfs/dbraw/zinc/17/45/41/889174541.db2.gz AEGMHOVMAUYYLR-KOLCDFICSA-N 0 3 292.339 -1.018 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)Cn1cccn1 ZINC001401667244 889174554 /nfs/dbraw/zinc/17/45/54/889174554.db2.gz MBDKOCAMINEEOD-VIFPVBQESA-N 0 3 296.331 -1.567 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCn1ccnn1 ZINC001401676559 889174758 /nfs/dbraw/zinc/17/47/58/889174758.db2.gz RFWBCLYWYDSIDM-UWVGGRQHSA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)CN1CCOCC1 ZINC001401677593 889174795 /nfs/dbraw/zinc/17/47/95/889174795.db2.gz UOBJUWBWVKLCLE-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)CNC(C)=O ZINC001401664375 889174841 /nfs/dbraw/zinc/17/48/41/889174841.db2.gz HTGHFHGQFVLPFX-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1nocc1C ZINC001401641159 889174926 /nfs/dbraw/zinc/17/49/26/889174926.db2.gz VXCYSRUVGKKBKC-SECBINFHSA-N 0 3 284.316 -1.201 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001401639441 889175015 /nfs/dbraw/zinc/17/50/15/889175015.db2.gz MWKJSPIATWCRPD-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001401640564 889175031 /nfs/dbraw/zinc/17/50/31/889175031.db2.gz QXBXUGUPDMDSPX-HTQZYQBOSA-N 0 3 280.332 -1.196 20 0 CAADHN Cc1ncncc1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001401677835 889175100 /nfs/dbraw/zinc/17/51/00/889175100.db2.gz QQZFFWKPQIMFAT-ZETCQYMHSA-N 0 3 294.315 -1.312 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CN(C)C(C)=O ZINC001401675164 889175202 /nfs/dbraw/zinc/17/52/02/889175202.db2.gz SRKKFIOITVHFJY-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@H](CNCc1cnnn1C)NC(=O)Cc1nc[nH]n1 ZINC001401656048 889175272 /nfs/dbraw/zinc/17/52/72/889175272.db2.gz BVXKAEFUNQEXMC-MRVPVSSYSA-N 0 3 278.320 -1.230 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001401645447 889175371 /nfs/dbraw/zinc/17/53/71/889175371.db2.gz QHDNVTFEGFDZJT-CSMHCCOUSA-N 0 3 299.331 -2.187 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)c1cnn(C)n1 ZINC001401651239 889175424 /nfs/dbraw/zinc/17/54/24/889175424.db2.gz JPAWEMATGJVSIN-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001401675779 889175624 /nfs/dbraw/zinc/17/56/24/889175624.db2.gz UVHRTCOTWJBTBF-NXEZZACHSA-N 0 3 294.359 -1.319 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)Cn1ccnc1 ZINC001401664999 889175870 /nfs/dbraw/zinc/17/58/70/889175870.db2.gz DMYSSOKFLXROOU-SECBINFHSA-N 0 3 296.331 -1.567 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001401645452 889175889 /nfs/dbraw/zinc/17/58/89/889175889.db2.gz QHDNVTFEGFDZJT-PRJMDXOYSA-N 0 3 299.331 -2.187 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CN1CCCC1=O ZINC001401665450 889176193 /nfs/dbraw/zinc/17/61/93/889176193.db2.gz ASAAOHFUXSMKBJ-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N[C@@H](C)CNCC(=O)N1CCN(C(C)=O)CC1 ZINC001401666675 889176324 /nfs/dbraw/zinc/17/63/24/889176324.db2.gz JBJDTZVFZPPWOQ-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001401662136 889176335 /nfs/dbraw/zinc/17/63/35/889176335.db2.gz NNYAHNHFVNGLPJ-BDAKNGLRSA-N 0 3 293.327 -1.623 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)c1cnn(C)c1N ZINC001401676465 889176391 /nfs/dbraw/zinc/17/63/91/889176391.db2.gz MGDGNYQLNCZJQT-WCBMZHEXSA-N 0 3 294.359 -1.011 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cccn(C)c1=O ZINC001401657639 889176404 /nfs/dbraw/zinc/17/64/04/889176404.db2.gz HHAPDLQFWIEABZ-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ncc[nH]1 ZINC001401683484 889177560 /nfs/dbraw/zinc/17/75/60/889177560.db2.gz XGWHIIMEIUXAGL-ZETCQYMHSA-N 0 3 279.304 -1.260 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CN1CCOCC1=O)C(N)=O ZINC001401683950 889177750 /nfs/dbraw/zinc/17/77/50/889177750.db2.gz AIMPOTSAHOFVQK-DTWKUNHWSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@@H](C[NH2+][C@H]1CCNC1=O)NC(=O)c1cnc[n-]c1=O ZINC001401692328 889177904 /nfs/dbraw/zinc/17/79/04/889177904.db2.gz SQAJXKYNZBBDKM-CBAPKCEASA-N 0 3 279.300 -1.221 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C1(NC(N)=O)CCCCC1 ZINC001401705406 889177994 /nfs/dbraw/zinc/17/79/94/889177994.db2.gz MRXQGHPREFUGAZ-VIFPVBQESA-N 0 3 299.375 -1.063 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCN1CCCC1=O ZINC001401705914 889178145 /nfs/dbraw/zinc/17/81/45/889178145.db2.gz GZTPRAJSNRKUIH-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CN(C)C(=O)C1CC1 ZINC001401683636 889178215 /nfs/dbraw/zinc/17/82/15/889178215.db2.gz VRPDJKXMUAWINR-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CCc1cnn(C)n1 ZINC001401701266 889178281 /nfs/dbraw/zinc/17/82/81/889178281.db2.gz AHBMIPMNKZHGPM-IUCAKERBSA-N 0 3 282.348 -1.284 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001401713201 889178672 /nfs/dbraw/zinc/17/86/72/889178672.db2.gz MINWKELMAHLGGN-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cn1ccnc1)C(=O)NC(N)=O ZINC001401725045 889178883 /nfs/dbraw/zinc/17/88/83/889178883.db2.gz BIHLWJOXCGGIQP-DTWKUNHWSA-N 0 3 296.331 -1.439 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)CCNC(N)=O ZINC001401720119 889178924 /nfs/dbraw/zinc/17/89/24/889178924.db2.gz JSQJOZPIAICBKT-IUCAKERBSA-N 0 3 299.375 -1.194 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)[C@H]2CNC(=O)N2)n[nH]1 ZINC001401703080 889179099 /nfs/dbraw/zinc/17/90/99/889179099.db2.gz TWBVAFMBXQKKQQ-POYBYMJQSA-N 0 3 281.320 -1.611 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)Cn1cncn1 ZINC001401719599 889179404 /nfs/dbraw/zinc/17/94/04/889179404.db2.gz AAPSUHUWKLRISC-VHSXEESVSA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001401703657 889179489 /nfs/dbraw/zinc/17/94/89/889179489.db2.gz XNBPZFDJTOBCJC-WCBMZHEXSA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001401691180 889179505 /nfs/dbraw/zinc/17/95/05/889179505.db2.gz LSHCMVVQKRYLRA-HBNTYKKESA-N 0 3 296.371 -1.020 20 0 CAADHN COc1c[nH]c(C(=O)N[C@@H](C)CNCC(N)=O)cc1=O ZINC001401690636 889179563 /nfs/dbraw/zinc/17/95/63/889179563.db2.gz PRXGMYYJXHBKGU-ZETCQYMHSA-N 0 3 282.300 -1.423 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)COCc1ccnn1C)C(N)=O ZINC001401690787 889179733 /nfs/dbraw/zinc/17/97/33/889179733.db2.gz JRURRNRQTFGDMB-VHSXEESVSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)Cn1ccnc1 ZINC001401725129 889179748 /nfs/dbraw/zinc/17/97/48/889179748.db2.gz BIHLWJOXCGGIQP-IUCAKERBSA-N 0 3 296.331 -1.439 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001401720040 889179780 /nfs/dbraw/zinc/17/97/80/889179780.db2.gz CJVUAAXHPPGXCV-IUCAKERBSA-N 0 3 297.359 -1.434 20 0 CAADHN C[C@@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)c1cnc[n-]c1=O ZINC001401692333 889179909 /nfs/dbraw/zinc/17/99/09/889179909.db2.gz SQAJXKYNZBBDKM-IONNQARKSA-N 0 3 279.300 -1.221 20 0 CAADHN Cc1ncc(CC(=O)N[C@@H](C)CNCC(=O)NC(N)=O)o1 ZINC001401687992 889180049 /nfs/dbraw/zinc/18/00/49/889180049.db2.gz RDGCRPPJSFKQEC-ZETCQYMHSA-N 0 3 297.315 -1.185 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCS(=O)(=O)N(C)C ZINC001401723531 889180446 /nfs/dbraw/zinc/18/04/46/889180446.db2.gz YWILUCZCNQJJSF-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)c1cnnn1C ZINC001401744969 889182152 /nfs/dbraw/zinc/18/21/52/889182152.db2.gz DAYATOAGRGXAHG-UWVGGRQHSA-N 0 3 285.348 -1.128 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001401827843 889185587 /nfs/dbraw/zinc/18/55/87/889185587.db2.gz BHUSWLINRGHADJ-MNOVXSKESA-N 0 3 284.360 -1.713 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](CN[C@@H](C)C(N)=O)C2CC2)C1 ZINC001401836975 889185886 /nfs/dbraw/zinc/18/58/86/889185886.db2.gz OMPFNPYEYDPCBS-QPUJVOFHSA-N 0 3 296.371 -1.177 20 0 CAADHN Cn1cc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)ccc1=O ZINC001401846189 889185724 /nfs/dbraw/zinc/18/57/24/889185724.db2.gz FYTWOBHCCVGJPL-NSHDSACASA-N 0 3 292.339 -1.031 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CCn1ccnn1)C1CC1 ZINC001401836585 889185754 /nfs/dbraw/zinc/18/57/54/889185754.db2.gz DYXRKTCSRVYAPT-NSHDSACASA-N 0 3 294.359 -1.101 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)c1cnn(C)n1)C1CC1 ZINC001401853032 889185787 /nfs/dbraw/zinc/18/57/87/889185787.db2.gz FFYGEVDYCZRPPN-SECBINFHSA-N 0 3 280.332 -1.341 20 0 CAADHN CN1CC[C@@H](CC(=O)N[C@@H](CNCC(N)=O)C2CC2)C1=O ZINC001401844616 889185803 /nfs/dbraw/zinc/18/58/03/889185803.db2.gz PEZSZNKTZWCATG-QWRGUYRKSA-N 0 3 296.371 -1.176 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CCn1cncn1)C1CC1 ZINC001401831461 889185867 /nfs/dbraw/zinc/18/58/67/889185867.db2.gz OHACKOMLHMAAJL-JTQLQIEISA-N 0 3 280.332 -1.362 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001401842405 889185915 /nfs/dbraw/zinc/18/59/15/889185915.db2.gz OCWDNQAYELICKA-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001401848444 889185981 /nfs/dbraw/zinc/18/59/81/889185981.db2.gz XVTHUPBUYVRTDM-NXEZZACHSA-N 0 3 282.344 -1.375 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001401842437 889185998 /nfs/dbraw/zinc/18/59/98/889185998.db2.gz OONHFXWTOVCOPU-GHMZBOCLSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC001401838736 889186013 /nfs/dbraw/zinc/18/60/13/889186013.db2.gz CXXCFLJWLHYOCH-MNOVXSKESA-N 0 3 296.371 -1.305 20 0 CAADHN CN1CC[C@H](CC(=O)N[C@@H](CNCC(N)=O)C2CC2)C1=O ZINC001401844605 889186077 /nfs/dbraw/zinc/18/60/77/889186077.db2.gz PEZSZNKTZWCATG-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@]1(C(=O)N[C@H](CNCC(N)=O)C2CC2)CCNC(=O)C1 ZINC001401849273 889186168 /nfs/dbraw/zinc/18/61/68/889186168.db2.gz AYNKJAUVYSQUMU-QMTHXVAHSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)c1nnn(C)n1)C1CC1)C(N)=O ZINC001401849671 889186651 /nfs/dbraw/zinc/18/66/51/889186651.db2.gz JZYNVMOBGXMVIS-POYBYMJQSA-N 0 3 281.320 -1.818 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001401842443 889186679 /nfs/dbraw/zinc/18/66/79/889186679.db2.gz OONHFXWTOVCOPU-QWRGUYRKSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@]1(C(=O)N[C@@H](CNCC(N)=O)C2CC2)CCNC(=O)C1 ZINC001401849265 889186708 /nfs/dbraw/zinc/18/67/08/889186708.db2.gz AYNKJAUVYSQUMU-HZMBPMFUSA-N 0 3 296.371 -1.128 20 0 CAADHN Cn1cnn(CC(=O)N[C@H](CNCC(N)=O)C2CC2)c1=O ZINC001401845106 889186844 /nfs/dbraw/zinc/18/68/44/889186844.db2.gz CMLWNMCQDBMXPK-SECBINFHSA-N 0 3 296.331 -2.449 20 0 CAADHN C[C@H](NC[C@H](NC(=O)c1nnn(C)n1)C1CC1)C(N)=O ZINC001401849676 889186966 /nfs/dbraw/zinc/18/69/66/889186966.db2.gz JZYNVMOBGXMVIS-XPUUQOCRSA-N 0 3 281.320 -1.818 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC001401838731 889187122 /nfs/dbraw/zinc/18/71/22/889187122.db2.gz CXXCFLJWLHYOCH-GHMZBOCLSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CS(C)(=O)=O)C1CC1 ZINC001401839812 889187152 /nfs/dbraw/zinc/18/71/52/889187152.db2.gz VTGJERAEXXMNTE-SECBINFHSA-N 0 3 291.373 -1.739 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)c1cc2n(n1)CCO2)C1CC1 ZINC001401844460 889187711 /nfs/dbraw/zinc/18/77/11/889187711.db2.gz OLMFXQSZDSNVEF-SNVBAGLBSA-N 0 3 293.327 -1.141 20 0 CAADHN CN1CC[C@@H](CC(=O)N[C@H](CNCC(N)=O)C2CC2)C1=O ZINC001401844621 889187829 /nfs/dbraw/zinc/18/78/29/889187829.db2.gz PEZSZNKTZWCATG-WDEREUQCSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1CC1 ZINC001401844015 889187872 /nfs/dbraw/zinc/18/78/72/889187872.db2.gz GJOATTIFRVQSJV-WCBMZHEXSA-N 0 3 299.375 -1.336 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CS(=O)(=O)N(C)C ZINC001401796055 889187907 /nfs/dbraw/zinc/18/79/07/889187907.db2.gz BTIQBNKOXGBFBK-SECBINFHSA-N 0 3 281.378 -1.693 20 0 CAADHN C[C@@H]([NH2+]C[C@H](NC(=O)Cc1nnc[n-]1)C1CC1)C(N)=O ZINC001401878107 889189068 /nfs/dbraw/zinc/18/90/68/889189068.db2.gz VJAGDMMEFQVPFR-APPZFPTMSA-N 0 3 280.332 -1.295 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001401858763 889190226 /nfs/dbraw/zinc/19/02/26/889190226.db2.gz DRNUPOUIOHSMKT-ZJUUUORDSA-N 0 3 292.343 -1.280 20 0 CAADHN C[C@@H]([NH2+]C[C@@H](NC(=O)Cc1nnc[n-]1)C1CC1)C(N)=O ZINC001401878127 889190269 /nfs/dbraw/zinc/19/02/69/889190269.db2.gz VJAGDMMEFQVPFR-VXNVDRBHSA-N 0 3 280.332 -1.295 20 0 CAADHN CCCN1CC[C@H]1CNC(=O)CNC(=O)CNC(C)=O ZINC001401884219 889191513 /nfs/dbraw/zinc/19/15/13/889191513.db2.gz DDXYLBAFTKUAAK-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN O=C(NCC1(N[C@@H]2CCCNC2=O)CC1)[C@@H]1COCCO1 ZINC001401919624 889192803 /nfs/dbraw/zinc/19/28/03/889192803.db2.gz MGNSRUMYGPAIMZ-MNOVXSKESA-N 0 3 297.355 -1.081 20 0 CAADHN O=C(NCC1(N[C@@H]2CCCNC2=O)CC1)[C@H]1COCCO1 ZINC001401919619 889194945 /nfs/dbraw/zinc/19/49/45/889194945.db2.gz MGNSRUMYGPAIMZ-GHMZBOCLSA-N 0 3 297.355 -1.081 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)Cc2nc[nH]n2)CC1 ZINC001401980220 889197186 /nfs/dbraw/zinc/19/71/86/889197186.db2.gz OTHPPJUQOQODMA-UHFFFAOYSA-N 0 3 280.332 -1.278 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001402043054 889199183 /nfs/dbraw/zinc/19/91/83/889199183.db2.gz FGMJTRKDPIITQV-MNOVXSKESA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)Cn1ncnn1)C(N)=O ZINC001402039557 889199310 /nfs/dbraw/zinc/19/93/10/889199310.db2.gz ADBYOSSBLYLCOG-DTWKUNHWSA-N 0 3 281.320 -1.873 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001402057575 889199323 /nfs/dbraw/zinc/19/93/23/889199323.db2.gz LCTYWBADJMRRRN-MRVPVSSYSA-N 0 3 279.300 -1.551 20 0 CAADHN COC[C@@H](O)CN1CC[C@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001402119951 889199496 /nfs/dbraw/zinc/19/94/96/889199496.db2.gz BHQVKBWLLRDNGJ-WDMOLILDSA-N 0 3 299.371 -1.147 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCNC(=O)CC1 ZINC001402053874 889199629 /nfs/dbraw/zinc/19/96/29/889199629.db2.gz NLFXFLGWLZHHBK-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1 ZINC001402057578 889199672 /nfs/dbraw/zinc/19/96/72/889199672.db2.gz LCTYWBADJMRRRN-QMMMGPOBSA-N 0 3 279.300 -1.551 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCNC(=O)CC1 ZINC001402053872 889199681 /nfs/dbraw/zinc/19/96/81/889199681.db2.gz NLFXFLGWLZHHBK-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCNC(=O)CC1 ZINC001402053868 889199801 /nfs/dbraw/zinc/19/98/01/889199801.db2.gz NLFXFLGWLZHHBK-MNOVXSKESA-N 0 3 296.371 -1.031 20 0 CAADHN CCNC(=O)CCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001402067587 889200676 /nfs/dbraw/zinc/20/06/76/889200676.db2.gz OQQWHJVDSHGGMZ-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001402042554 889201035 /nfs/dbraw/zinc/20/10/35/889201035.db2.gz FGMJTRKDPIITQV-GHMZBOCLSA-N 0 3 282.344 -1.408 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001402056471 889201346 /nfs/dbraw/zinc/20/13/46/889201346.db2.gz MBAASIQGSNIXOC-SECBINFHSA-N 0 3 281.320 -1.871 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CN1CCCC1=O ZINC001402057995 889201396 /nfs/dbraw/zinc/20/13/96/889201396.db2.gz ZNEPLXKOYBPDSW-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001402237854 889203266 /nfs/dbraw/zinc/20/32/66/889203266.db2.gz YVTALPPORWZENG-LLVKDONJSA-N 0 3 287.360 -1.256 20 0 CAADHN C[C@@]1(NC(=O)CCCS(N)(=O)=O)CCN(CCO)C1 ZINC001402133655 889204165 /nfs/dbraw/zinc/20/41/65/889204165.db2.gz HHPBEKCWORIILN-LLVKDONJSA-N 0 3 293.389 -1.372 20 0 CAADHN CCN1CC[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001402228313 889206583 /nfs/dbraw/zinc/20/65/83/889206583.db2.gz JYUGKRBAYBKTAR-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@]1(NC(=O)CCCS(N)(=O)=O)CCN(CCO)C1 ZINC001402133660 889206641 /nfs/dbraw/zinc/20/66/41/889206641.db2.gz HHPBEKCWORIILN-NSHDSACASA-N 0 3 293.389 -1.372 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001402168327 889206676 /nfs/dbraw/zinc/20/66/76/889206676.db2.gz BRGQWEUUTQMAJH-HBNTYKKESA-N 0 3 285.344 -1.537 20 0 CAADHN CNC(=O)NCCC(=O)N[C@]1(C)CCN(CCO)C1 ZINC001402147856 889206943 /nfs/dbraw/zinc/20/69/43/889206943.db2.gz YDQIFKDECYDGJX-GFCCVEGCSA-N 0 3 272.349 -1.122 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001402175258 889207719 /nfs/dbraw/zinc/20/77/19/889207719.db2.gz HEXUBWMDLKYIFM-WDEREUQCSA-N 0 3 296.327 -1.006 20 0 CAADHN CNC(=O)CN1CC[C@@](O)(CNC(=O)[C@@H]2CCCN2C)C1 ZINC001402267593 889209943 /nfs/dbraw/zinc/20/99/43/889209943.db2.gz RXUUTMWRCVNMJA-SMDDNHRTSA-N 0 3 298.387 -1.620 20 0 CAADHN COCCC(=O)NC[C@]1(O)CCN(CCn2cncn2)C1 ZINC001402249243 889211311 /nfs/dbraw/zinc/21/13/11/889211311.db2.gz PIUARJITZGKQGJ-CYBMUJFWSA-N 0 3 297.359 -1.132 20 0 CAADHN O=C(C[C@@H]1CCC(=O)NC1)NC[C@@]1(O)CCN(CCO)C1 ZINC001402265784 889212509 /nfs/dbraw/zinc/21/25/09/889212509.db2.gz HWDXLQOQEPNLQR-FZMZJTMJSA-N 0 3 299.371 -1.552 20 0 CAADHN CNC(=O)CN1CC[C@@](O)(CNC(=O)[C@H]2CCCN2C)C1 ZINC001402267574 889213344 /nfs/dbraw/zinc/21/33/44/889213344.db2.gz RXUUTMWRCVNMJA-BXUZGUMPSA-N 0 3 298.387 -1.620 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1c[nH]c(=O)cn1 ZINC001402257610 889213512 /nfs/dbraw/zinc/21/35/12/889213512.db2.gz BEKNKPPRNSZIGA-GFCCVEGCSA-N 0 3 282.300 -2.071 20 0 CAADHN O=C(C[C@H]1CCC(=O)NC1)NC[C@]1(O)CCN(CCO)C1 ZINC001402265774 889213548 /nfs/dbraw/zinc/21/35/48/889213548.db2.gz HWDXLQOQEPNLQR-BXUZGUMPSA-N 0 3 299.371 -1.552 20 0 CAADHN CNC(=O)CN1CC[C@](O)(CNC(=O)[C@H]2CCCN2C)C1 ZINC001402267589 889213905 /nfs/dbraw/zinc/21/39/05/889213905.db2.gz RXUUTMWRCVNMJA-RISCZKNCSA-N 0 3 298.387 -1.620 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)CS(C)(=O)=O)C1CC1)C(N)=O ZINC001402292456 889216763 /nfs/dbraw/zinc/21/67/63/889216763.db2.gz NWUCFWANAJYIPB-APPZFPTMSA-N 0 3 291.373 -1.611 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)Cn2ncnn2)C1 ZINC001402272603 889218928 /nfs/dbraw/zinc/21/89/28/889218928.db2.gz PMWFEEILGYUJIZ-NSHDSACASA-N 0 3 284.320 -2.128 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CCn1ccnn1)C1CC1 ZINC001402294403 889219599 /nfs/dbraw/zinc/21/95/99/889219599.db2.gz SJPWMZVCIXSAAA-SNVBAGLBSA-N 0 3 280.332 -1.362 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)c1cn(C)nn1)C1CC1)C(N)=O ZINC001402292552 889220253 /nfs/dbraw/zinc/22/02/53/889220253.db2.gz RTRZKDONSUTHKY-CBAPKCEASA-N 0 3 280.332 -1.213 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001402299027 889220690 /nfs/dbraw/zinc/22/06/90/889220690.db2.gz ACISTMPWUUSVKX-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)c1cn(C)nn1)C1CC1)C(N)=O ZINC001402292557 889221114 /nfs/dbraw/zinc/22/11/14/889221114.db2.gz RTRZKDONSUTHKY-VXNVDRBHSA-N 0 3 280.332 -1.213 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001402299060 889221166 /nfs/dbraw/zinc/22/11/66/889221166.db2.gz ACISTMPWUUSVKX-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001402299695 889221314 /nfs/dbraw/zinc/22/13/14/889221314.db2.gz GPFDVBCYBARZGU-WCBMZHEXSA-N 0 3 283.328 -1.091 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001402299679 889221440 /nfs/dbraw/zinc/22/14/40/889221440.db2.gz GPFDVBCYBARZGU-PSASIEDQSA-N 0 3 283.328 -1.091 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001402299703 889222903 /nfs/dbraw/zinc/22/29/03/889222903.db2.gz GPFDVBCYBARZGU-WPRPVWTQSA-N 0 3 283.328 -1.091 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@@H]1CCC(=O)N1 ZINC001402320508 889226034 /nfs/dbraw/zinc/22/60/34/889226034.db2.gz SJVPXJUGFJHFNZ-JOYOIKCWSA-N 0 3 271.317 -2.190 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001402317284 889226298 /nfs/dbraw/zinc/22/62/98/889226298.db2.gz KXNCJNDOLFXAGS-NWDGAFQWSA-N 0 3 298.387 -1.323 20 0 CAADHN CN1CC[C@H](CC(=O)NC[C@H](NCC(N)=O)C2CC2)C1=O ZINC001402317557 889226405 /nfs/dbraw/zinc/22/64/05/889226405.db2.gz QAABNHSWTLXHBI-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402323957 889227005 /nfs/dbraw/zinc/22/70/05/889227005.db2.gz XFKYDHRZQRORNT-GXFFZTMASA-N 0 3 285.344 -1.536 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)c1nnn(C)n1)C1CC1 ZINC001402331479 889229064 /nfs/dbraw/zinc/22/90/64/889229064.db2.gz DVDWEZSBJBCION-SECBINFHSA-N 0 3 295.347 -1.556 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001402430111 889235788 /nfs/dbraw/zinc/23/57/88/889235788.db2.gz GXVDTGLBUAICAA-VIFPVBQESA-N 0 3 295.299 -1.398 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)C(=O)N(C)C ZINC001402432798 889235929 /nfs/dbraw/zinc/23/59/29/889235929.db2.gz PLLDNCNFCZLPGF-GARJFASQSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001402443341 889236118 /nfs/dbraw/zinc/23/61/18/889236118.db2.gz QLKGFKXCAGPOIO-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001402443347 889236157 /nfs/dbraw/zinc/23/61/57/889236157.db2.gz QLKGFKXCAGPOIO-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001402443241 889236212 /nfs/dbraw/zinc/23/62/12/889236212.db2.gz FHGPREJWKVGKLG-JTQLQIEISA-N 0 3 297.359 -2.645 20 0 CAADHN CNC(=O)CN1CC(O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001402368018 889236858 /nfs/dbraw/zinc/23/68/58/889236858.db2.gz DKFVOTDEWJSYIT-UHFFFAOYSA-N 0 3 295.343 -1.830 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001402441178 889236965 /nfs/dbraw/zinc/23/69/65/889236965.db2.gz KGYRXGHVEBGFHI-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)C(=O)N(C)C ZINC001402434131 889237339 /nfs/dbraw/zinc/23/73/39/889237339.db2.gz PLLDNCNFCZLPGF-OUAUKWLOSA-N 0 3 296.371 -1.068 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001402451421 889239962 /nfs/dbraw/zinc/23/99/62/889239962.db2.gz KNRKFGULVISRCS-LURJTMIESA-N 0 3 298.278 -1.452 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)c2nc[nH]n2)C1=O ZINC001402469258 889239975 /nfs/dbraw/zinc/23/99/75/889239975.db2.gz IHWKUKXWJRNINO-VIFPVBQESA-N 0 3 296.331 -1.941 20 0 CAADHN CN1CC[C@H]([NH2+]CCN(CCO)C(=O)c2nc[n-]n2)C1=O ZINC001402469258 889239981 /nfs/dbraw/zinc/23/99/81/889239981.db2.gz IHWKUKXWJRNINO-VIFPVBQESA-N 0 3 296.331 -1.941 20 0 CAADHN C[C@@H](O)CN1CCC[C@@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001402457355 889240114 /nfs/dbraw/zinc/24/01/14/889240114.db2.gz YPPTUPVSLQTWCZ-ZYHUDNBSSA-N 0 3 298.347 -2.003 20 0 CAADHN CN(C)C(=O)CN[C@H]1C[C@H](NC(=O)CS(C)(=O)=O)C1 ZINC001402491053 889240279 /nfs/dbraw/zinc/24/02/79/889240279.db2.gz UDBHGXFPVZGOHK-KYZUINATSA-N 0 3 291.373 -1.644 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cnon1)C(N)=O ZINC001402471864 889240382 /nfs/dbraw/zinc/24/03/82/889240382.db2.gz NSKBYXNYGZNWRP-QMMMGPOBSA-N 0 3 285.304 -1.642 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CCNC(N)=O)C1)C(N)=O ZINC001402459586 889240493 /nfs/dbraw/zinc/24/04/93/889240493.db2.gz PIHKDAAIHDNICP-YUMQZZPRSA-N 0 3 271.321 -1.891 20 0 CAADHN Cc1conc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001402470858 889240687 /nfs/dbraw/zinc/24/06/87/889240687.db2.gz LUMHCOUJHJYTNL-VIFPVBQESA-N 0 3 284.316 -1.119 20 0 CAADHN O=C(c1cnco1)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001402481356 889241001 /nfs/dbraw/zinc/24/10/01/889241001.db2.gz QRYYNXNYIYHYMU-SNVBAGLBSA-N 0 3 296.327 -1.023 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cc1cncn1C)C(N)=O ZINC001402464659 889241078 /nfs/dbraw/zinc/24/10/78/889241078.db2.gz ALEWRSHZXMNQSQ-SNVBAGLBSA-N 0 3 297.359 -1.753 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(=O)N(C)C ZINC001402461895 889241518 /nfs/dbraw/zinc/24/15/18/889241518.db2.gz PLLDNCNFCZLPGF-DCAQKATOSA-N 0 3 296.371 -1.068 20 0 CAADHN C[C@@H](O)CN1CCC[C@](CO)(NC(=O)Cn2ncnn2)C1 ZINC001402457354 889241637 /nfs/dbraw/zinc/24/16/37/889241637.db2.gz YPPTUPVSLQTWCZ-PWSUYJOCSA-N 0 3 298.347 -2.003 20 0 CAADHN O=C(CCc1nnc[n-]1)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001402489741 889242031 /nfs/dbraw/zinc/24/20/31/889242031.db2.gz COPUFBUMHVMXRY-GUBZILKMSA-N 0 3 292.343 -1.137 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H]1CCCCO1)C(N)=O ZINC001402470432 889242072 /nfs/dbraw/zinc/24/20/72/889242072.db2.gz UCBUPBWUIIPCHM-WDEREUQCSA-N 0 3 287.360 -1.160 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cncnc1)C(N)=O ZINC001402459990 889242205 /nfs/dbraw/zinc/24/22/05/889242205.db2.gz DCGXAOXQYACGRH-NSHDSACASA-N 0 3 295.343 -1.235 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@H]1CCCCO1)C(N)=O ZINC001402470417 889242292 /nfs/dbraw/zinc/24/22/92/889242292.db2.gz UCBUPBWUIIPCHM-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cc1ncc[nH]1)C(N)=O ZINC001402465344 889242783 /nfs/dbraw/zinc/24/27/83/889242783.db2.gz CDVSZTWAWPKFPE-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN O=C(c1nc[nH]n1)N(CCO)CCN[C@H]1CCNC1=O ZINC001402466797 889243157 /nfs/dbraw/zinc/24/31/57/889243157.db2.gz FEXCJWOPBGGHOG-QMMMGPOBSA-N 0 3 282.304 -2.283 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1csnn1)C(N)=O ZINC001402479227 889243449 /nfs/dbraw/zinc/24/34/49/889243449.db2.gz MLYISYQGARTBEW-SSDOTTSWSA-N 0 3 287.345 -1.564 20 0 CAADHN Cc1conc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001402470853 889243754 /nfs/dbraw/zinc/24/37/54/889243754.db2.gz LUMHCOUJHJYTNL-SECBINFHSA-N 0 3 284.316 -1.119 20 0 CAADHN C[C@@H](CC(=O)N1CCCC[C@@H]1CNCC(N)=O)NC(N)=O ZINC001402525758 889244549 /nfs/dbraw/zinc/24/45/49/889244549.db2.gz USAVAXRSFQFLIS-VHSXEESVSA-N 0 3 299.375 -1.111 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@@H]1COCCN1CC(N)=O ZINC001402539764 889245113 /nfs/dbraw/zinc/24/51/13/889245113.db2.gz WXYFHKQXFQQPMC-SNVBAGLBSA-N 0 3 295.343 -1.437 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001402529810 889246074 /nfs/dbraw/zinc/24/60/74/889246074.db2.gz AECWJKNJOVDJNY-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCN(CCO)C(C)=O ZINC001402536925 889246575 /nfs/dbraw/zinc/24/65/75/889246575.db2.gz GUIJMULITMDYAN-QMMMGPOBSA-N 0 3 274.321 -1.739 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@H]1COCCN1CC(N)=O ZINC001402539361 889246765 /nfs/dbraw/zinc/24/67/65/889246765.db2.gz WXYFHKQXFQQPMC-JTQLQIEISA-N 0 3 295.343 -1.437 20 0 CAADHN CO[C@H](C)CC(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001402557040 889248131 /nfs/dbraw/zinc/24/81/31/889248131.db2.gz RXIRNTSQHWEWTO-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001402564706 889248457 /nfs/dbraw/zinc/24/84/57/889248457.db2.gz XCIFVUCPFOOJAM-SECBINFHSA-N 0 3 296.327 -1.315 20 0 CAADHN Cc1nc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)c[nH]1 ZINC001402553270 889249023 /nfs/dbraw/zinc/24/90/23/889249023.db2.gz OZNLGMXGTXPJOR-JTQLQIEISA-N 0 3 295.343 -1.369 20 0 CAADHN CCCC(=O)N(CCO)CCN[C@H](C)C(=O)NC(N)=O ZINC001402543468 889249540 /nfs/dbraw/zinc/24/95/40/889249540.db2.gz LXELOUPKKVOWLA-SECBINFHSA-N 0 3 288.348 -1.220 20 0 CAADHN Cn1ncc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)c1N ZINC001402589028 889249809 /nfs/dbraw/zinc/24/98/09/889249809.db2.gz IKCQRXQFYZQFRC-QMMMGPOBSA-N 0 3 296.331 -2.082 20 0 CAADHN COCCC(=O)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001402556871 889249845 /nfs/dbraw/zinc/24/98/45/889249845.db2.gz QXLLCITXJUQIQT-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001402564713 889249917 /nfs/dbraw/zinc/24/99/17/889249917.db2.gz XCIFVUCPFOOJAM-VIFPVBQESA-N 0 3 296.327 -1.315 20 0 CAADHN Cn1cccc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001402548385 889250386 /nfs/dbraw/zinc/25/03/86/889250386.db2.gz NIJNFVWIYUJVTD-LLVKDONJSA-N 0 3 294.355 -1.062 20 0 CAADHN COC[C@@H](C)C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001402540493 889250617 /nfs/dbraw/zinc/25/06/17/889250617.db2.gz HSYYWRJKWBZQQF-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001402586526 889250821 /nfs/dbraw/zinc/25/08/21/889250821.db2.gz CQUSGCAVISFFTI-SECBINFHSA-N 0 3 296.331 -2.008 20 0 CAADHN COCC(=O)N(CCO)CCN[C@H](C)C(=O)NC(N)=O ZINC001402565948 889250935 /nfs/dbraw/zinc/25/09/35/889250935.db2.gz YFRCYJSWLWZLFP-MRVPVSSYSA-N 0 3 290.320 -2.373 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001402586530 889251105 /nfs/dbraw/zinc/25/11/05/889251105.db2.gz DNYASSUETNWFQG-MRVPVSSYSA-N 0 3 297.315 -1.660 20 0 CAADHN Cc1ncn(C)c1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001402582926 889251205 /nfs/dbraw/zinc/25/12/05/889251205.db2.gz AXDXCLLFDCYMRH-SNVBAGLBSA-N 0 3 295.343 -1.356 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001402599977 889251886 /nfs/dbraw/zinc/25/18/86/889251886.db2.gz NDIRIAQYEJCZIW-SECBINFHSA-N 0 3 282.304 -2.420 20 0 CAADHN Cc1nocc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001402598040 889252561 /nfs/dbraw/zinc/25/25/61/889252561.db2.gz ITWNIVRSYHITOW-VIFPVBQESA-N 0 3 282.300 -1.101 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2ccn(C)n2)CCO1)C(N)=O ZINC001402599740 889252794 /nfs/dbraw/zinc/25/27/94/889252794.db2.gz LWEJMRFZGDEFFQ-UWVGGRQHSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2ccn(C)n2)CCO1)C(N)=O ZINC001402599743 889252835 /nfs/dbraw/zinc/25/28/35/889252835.db2.gz LWEJMRFZGDEFFQ-ZJUUUORDSA-N 0 3 295.343 -1.276 20 0 CAADHN COC1CC(C(=O)N2CCO[C@H](CNCC(N)=O)C2)C1 ZINC001402600154 889253953 /nfs/dbraw/zinc/25/39/53/889253953.db2.gz OKLGVCNYSXCXIB-VQXHTEKXSA-N 0 3 285.344 -1.286 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cn(C)nn2)CCO1)C(N)=O ZINC001402602923 889254413 /nfs/dbraw/zinc/25/44/13/889254413.db2.gz TXKDUPLMJKJHEC-IUCAKERBSA-N 0 3 296.331 -1.881 20 0 CAADHN Cc1ccnc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)n1 ZINC001402610504 889254578 /nfs/dbraw/zinc/25/45/78/889254578.db2.gz ZXZLMTBZRZOXKL-SNVBAGLBSA-N 0 3 293.327 -1.299 20 0 CAADHN Cc1nocc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001402598028 889255984 /nfs/dbraw/zinc/25/59/84/889255984.db2.gz ITWNIVRSYHITOW-SECBINFHSA-N 0 3 282.300 -1.101 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cn(C)nn2)CCO1)C(N)=O ZINC001402602918 889256237 /nfs/dbraw/zinc/25/62/37/889256237.db2.gz TXKDUPLMJKJHEC-BDAKNGLRSA-N 0 3 296.331 -1.881 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2cn[nH]c2)CCOCC1 ZINC001402734344 889257098 /nfs/dbraw/zinc/25/70/98/889257098.db2.gz NEJGHOFZONQNTO-UHFFFAOYSA-N 0 3 281.316 -1.236 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1C ZINC001402774676 889257613 /nfs/dbraw/zinc/25/76/13/889257613.db2.gz SFUJNBBAHGCXQN-SCZZXKLOSA-N 0 3 293.327 -1.022 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1C ZINC001402767686 889258241 /nfs/dbraw/zinc/25/82/41/889258241.db2.gz BDQDJPUJOUIULW-WPRPVWTQSA-N 0 3 293.327 -1.434 20 0 CAADHN C[C@H]1CO[C@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)C1 ZINC001402793282 889259064 /nfs/dbraw/zinc/25/90/64/889259064.db2.gz GWUKTISCAULYMW-MNOVXSKESA-N 0 3 299.371 -1.160 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001402766646 889259127 /nfs/dbraw/zinc/25/91/27/889259127.db2.gz BNTITGYVBPCCPG-WPRPVWTQSA-N 0 3 270.333 -1.614 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001402758325 889259267 /nfs/dbraw/zinc/25/92/67/889259267.db2.gz IYBJDBKJGNCRRT-AXFHLTTASA-N 0 3 296.371 -1.176 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2ccncn2)CCOCC1 ZINC001402747082 889259855 /nfs/dbraw/zinc/25/98/55/889259855.db2.gz FIPILMVMJQPDGU-UHFFFAOYSA-N 0 3 293.327 -1.170 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1COC2(CN(CC(N)=O)C2)C1 ZINC001402728293 889259896 /nfs/dbraw/zinc/25/98/96/889259896.db2.gz RJYPHSWQZQXOEY-NSHDSACASA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@H]1CO[C@@H](C(=O)N2CCC(O)(CNCC(N)=O)CC2)C1 ZINC001402793277 889260065 /nfs/dbraw/zinc/26/00/65/889260065.db2.gz GWUKTISCAULYMW-GHMZBOCLSA-N 0 3 299.371 -1.160 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001402840047 889261503 /nfs/dbraw/zinc/26/15/03/889261503.db2.gz IETBSUVZLAGVNA-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cnnn2C)C[C@@H]1C ZINC001402800709 889261924 /nfs/dbraw/zinc/26/19/24/889261924.db2.gz ZVRSTNAGOLDRFJ-IUCAKERBSA-N 0 3 280.332 -1.389 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCCNC1=O ZINC001402833789 889261996 /nfs/dbraw/zinc/26/19/96/889261996.db2.gz MJTPJIFFIWWWIU-PSASIEDQSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NCC(=O)N(C)C ZINC001402798287 889262606 /nfs/dbraw/zinc/26/26/06/889262606.db2.gz VTBZDTZIFPIIEJ-UWVGGRQHSA-N 0 3 295.347 -1.802 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@@H]1C ZINC001402800272 889263016 /nfs/dbraw/zinc/26/30/16/889263016.db2.gz ZGABOLYGFBFFGY-WPRPVWTQSA-N 0 3 294.359 -1.162 20 0 CAADHN Cc1c[nH]nc1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001402796530 889263202 /nfs/dbraw/zinc/26/32/02/889263202.db2.gz UYMUVAHWUVLWPU-UHFFFAOYSA-N 0 3 295.343 -1.240 20 0 CAADHN CCN1CC[C@@H](N[C@@H](C)CNC(=O)Cn2cnnn2)C1=O ZINC001402835443 889263584 /nfs/dbraw/zinc/26/35/84/889263584.db2.gz AEYKJKUMNVJUPZ-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COCCO1)NCCS(C)(=O)=O ZINC001402834406 889263916 /nfs/dbraw/zinc/26/39/16/889263916.db2.gz JWUMAPCVAZDXLG-UWVGGRQHSA-N 0 3 294.373 -1.459 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1)N[C@H](C)C(=O)NC(N)=O ZINC001402841350 889264484 /nfs/dbraw/zinc/26/44/84/889264484.db2.gz BNTDGYURGVJFHJ-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN CCN1CC[C@@H](N[C@H](C)CNC(=O)Cn2cnnn2)C1=O ZINC001402835441 889264509 /nfs/dbraw/zinc/26/45/09/889264509.db2.gz AEYKJKUMNVJUPZ-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CNC(=O)CCn1cncn1)N[C@@H]1CCN(C)C1=O ZINC001402842371 889264532 /nfs/dbraw/zinc/26/45/32/889264532.db2.gz QDXREAMDDBZFSO-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CNC(=O)CC(C)(C)O)N[C@@H](C)C(=O)NC(N)=O ZINC001402877800 889265357 /nfs/dbraw/zinc/26/53/57/889265357.db2.gz ZRENUKACARSDNE-SFYZADRCSA-N 0 3 288.348 -1.175 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001402869271 889265595 /nfs/dbraw/zinc/26/55/95/889265595.db2.gz KFVIFIOQQWMCSZ-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCCO1)NCC(=O)NC(N)=O ZINC001402856629 889265828 /nfs/dbraw/zinc/26/58/28/889265828.db2.gz ADXJBIXTQMQLLH-BDAKNGLRSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)NCc1cncn1C ZINC001402849181 889265976 /nfs/dbraw/zinc/26/59/76/889265976.db2.gz VYIWUBHDDLIYIZ-VIFPVBQESA-N 0 3 278.320 -1.299 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001402851592 889266016 /nfs/dbraw/zinc/26/60/16/889266016.db2.gz YOQVZFBMUQLOOG-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN CCO[C@H](C)C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001402847751 889266433 /nfs/dbraw/zinc/26/64/33/889266433.db2.gz SVCCHCAYBSBEAT-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N[C@H]1CCN(C)C1=O ZINC001402879072 889266466 /nfs/dbraw/zinc/26/64/66/889266466.db2.gz QTCXEIQUUNHFJY-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CNC(=O)CC(C)(C)O)N[C@H](C)C(=O)NC(N)=O ZINC001402877797 889266690 /nfs/dbraw/zinc/26/66/90/889266690.db2.gz ZRENUKACARSDNE-HTQZYQBOSA-N 0 3 288.348 -1.175 20 0 CAADHN CCO[C@@H](C)C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001402847772 889266870 /nfs/dbraw/zinc/26/68/70/889266870.db2.gz SVCCHCAYBSBEAT-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CN1CCCC1=O)C(N)=O ZINC001402848473 889267155 /nfs/dbraw/zinc/26/71/55/889267155.db2.gz VRYOIVDHRNQOBJ-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NC1(CO)CCN(CCO)CC1 ZINC001402868658 889267298 /nfs/dbraw/zinc/26/72/98/889267298.db2.gz XWDJDRAXCGLHOL-LLVKDONJSA-N 0 3 299.371 -1.552 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)c1cnn(C)c1N ZINC001402872271 889267949 /nfs/dbraw/zinc/26/79/49/889267949.db2.gz RKCUZCFEESGAHD-MRVPVSSYSA-N 0 3 282.348 -1.154 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CC(C)(C)O)C(=O)NC(N)=O ZINC001402877798 889268095 /nfs/dbraw/zinc/26/80/95/889268095.db2.gz ZRENUKACARSDNE-JGVFFNPUSA-N 0 3 288.348 -1.175 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)NC1CC1 ZINC001402874429 889268668 /nfs/dbraw/zinc/26/86/68/889268668.db2.gz TURBGZOQANPEKB-APPZFPTMSA-N 0 3 284.316 -1.532 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CN1CCCC1=O)C(N)=O ZINC001402848465 889268716 /nfs/dbraw/zinc/26/87/16/889268716.db2.gz VRYOIVDHRNQOBJ-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)c2cn(C)nn2)CC1 ZINC001402864937 889268761 /nfs/dbraw/zinc/26/87/61/889268761.db2.gz VEDHMOCKFRJGTD-SNVBAGLBSA-N 0 3 297.359 -1.247 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)N[C@H]1CCCNC1=O ZINC001402876456 889269416 /nfs/dbraw/zinc/26/94/16/889269416.db2.gz JUXOOBQZZUIOGC-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)NCC(N)=O ZINC001402925247 889270445 /nfs/dbraw/zinc/27/04/45/889270445.db2.gz GZNMGYTVVZAHSA-ZETCQYMHSA-N 0 3 283.288 -2.472 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)NCCS(C)(=O)=O ZINC001402880722 889270577 /nfs/dbraw/zinc/27/05/77/889270577.db2.gz JZOIMEJIIOBMSR-MRVPVSSYSA-N 0 3 290.349 -2.188 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cnc2n1CCOC2)C(N)=O ZINC001402913321 889270671 /nfs/dbraw/zinc/27/06/71/889270671.db2.gz XKNOCMHXTWSQOQ-DTWKUNHWSA-N 0 3 295.343 -1.005 20 0 CAADHN CCN1CC[C@H](N[C@H](C)CNC(=O)CNC(=O)NC)C1=O ZINC001402887900 889271077 /nfs/dbraw/zinc/27/10/77/889271077.db2.gz FREJZXCTOPAUER-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCS(C)(=O)=O ZINC001402912353 889271133 /nfs/dbraw/zinc/27/11/33/889271133.db2.gz WFYABKAQAZQCJU-DTWKUNHWSA-N 0 3 293.389 -1.350 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@H](C)NC(N)=O ZINC001402882139 889271235 /nfs/dbraw/zinc/27/12/35/889271235.db2.gz IHGOJWLNJGWOLN-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN Cc1occc1C(=O)NCC(=O)NC[C@@H](C)NCC(N)=O ZINC001402900371 889271954 /nfs/dbraw/zinc/27/19/54/889271954.db2.gz WRMDDMYCASFZHM-MRVPVSSYSA-N 0 3 296.327 -1.103 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001402896980 889271980 /nfs/dbraw/zinc/27/19/80/889271980.db2.gz SMLIIQGVGDFSDE-YUMQZZPRSA-N 0 3 271.321 -2.102 20 0 CAADHN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)NCC(N)=O ZINC001402925215 889272239 /nfs/dbraw/zinc/27/22/39/889272239.db2.gz GZNMGYTVVZAHSA-SSDOTTSWSA-N 0 3 283.288 -2.472 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cn1ncnn1)C(=O)N(C)C ZINC001402885040 889272273 /nfs/dbraw/zinc/27/22/73/889272273.db2.gz QOGRRZLYFXLPRP-DTWKUNHWSA-N 0 3 283.336 -1.756 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCS(C)(=O)=O ZINC001402912358 889272373 /nfs/dbraw/zinc/27/23/73/889272373.db2.gz WFYABKAQAZQCJU-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@H](CNC(=O)c1cnc2n1CCOC2)N[C@H](C)C(N)=O ZINC001402913332 889272592 /nfs/dbraw/zinc/27/25/92/889272592.db2.gz XKNOCMHXTWSQOQ-RKDXNWHRSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@H](CNC(=O)CN1CCCNC1=O)N[C@H](C)C(N)=O ZINC001402929316 889272660 /nfs/dbraw/zinc/27/26/60/889272660.db2.gz NHCYTXJLNJKFNA-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CNC(=O)c1cnc2n1CCOC2)N[C@@H](C)C(N)=O ZINC001402913317 889272705 /nfs/dbraw/zinc/27/27/05/889272705.db2.gz XKNOCMHXTWSQOQ-BDAKNGLRSA-N 0 3 295.343 -1.005 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@H](C)NC(N)=O ZINC001402882143 889272813 /nfs/dbraw/zinc/27/28/13/889272813.db2.gz IHGOJWLNJGWOLN-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN CNC(=O)NCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001402883258 889273181 /nfs/dbraw/zinc/27/31/81/889273181.db2.gz DVCAXBWGVGPKPX-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN Cc1nonc1CC(=O)NC1(CO)CCN(CCO)CC1 ZINC001402896661 889273344 /nfs/dbraw/zinc/27/33/44/889273344.db2.gz SEBVBYMXGIJMPU-UHFFFAOYSA-N 0 3 298.343 -1.144 20 0 CAADHN C[C@@H](CNC(=O)c1cnc2n1CCOC2)N[C@@H](C)C(N)=O ZINC001402913326 889273571 /nfs/dbraw/zinc/27/35/71/889273571.db2.gz XKNOCMHXTWSQOQ-IUCAKERBSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CN(C)S(C)(=O)=O)C(N)=O ZINC001402900017 889273728 /nfs/dbraw/zinc/27/37/28/889273728.db2.gz YGCRFNNOPSYPGH-JGVFFNPUSA-N 0 3 294.377 -2.154 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccn(CCOC)n1 ZINC001402933736 889273800 /nfs/dbraw/zinc/27/38/00/889273800.db2.gz DNTHKLLEWHNRNE-SNVBAGLBSA-N 0 3 297.359 -1.017 20 0 CAADHN CCN1CC[C@@H](N[C@@H](C)CNC(=O)CNC(=O)NC)C1=O ZINC001402887896 889273833 /nfs/dbraw/zinc/27/38/33/889273833.db2.gz FREJZXCTOPAUER-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)N[C@@H](C)C(=O)N(C)C ZINC001402885048 889273866 /nfs/dbraw/zinc/27/38/66/889273866.db2.gz QOGRRZLYFXLPRP-IUCAKERBSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N[C@H](C)C(=O)N(C)C ZINC001402885057 889274133 /nfs/dbraw/zinc/27/41/33/889274133.db2.gz QOGRRZLYFXLPRP-RKDXNWHRSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@H](CNC(=O)c1coc(C(N)=O)c1)N[C@@H]1CCNC1=O ZINC001402967158 889274642 /nfs/dbraw/zinc/27/46/42/889274642.db2.gz JEUOAKJYUJESIE-VXNVDRBHSA-N 0 3 294.311 -1.025 20 0 CAADHN CC(C)CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001402979817 889275375 /nfs/dbraw/zinc/27/53/75/889275375.db2.gz LZZKVUIYVVOGSB-NXEZZACHSA-N 0 3 299.375 -1.466 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1nnn(C)c1C ZINC001402980551 889275478 /nfs/dbraw/zinc/27/54/78/889275478.db2.gz ZZNIDEAEYNDDHM-HTQZYQBOSA-N 0 3 282.348 -1.034 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001403010510 889275575 /nfs/dbraw/zinc/27/55/75/889275575.db2.gz YTALPQMAKUJYOZ-RKDXNWHRSA-N 0 3 288.348 -1.941 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001402962539 889275628 /nfs/dbraw/zinc/27/56/28/889275628.db2.gz AVQWLDXDJOFOQL-DTWKUNHWSA-N 0 3 284.360 -1.307 20 0 CAADHN CC(C)CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001402979826 889275927 /nfs/dbraw/zinc/27/59/27/889275927.db2.gz LZZKVUIYVVOGSB-ZJUUUORDSA-N 0 3 299.375 -1.466 20 0 CAADHN C[C@@H](CNC(=O)c1nccnc1N)NCC(=O)N(C)C ZINC001402987190 889276013 /nfs/dbraw/zinc/27/60/13/889276013.db2.gz MCJQZYNXHKNYQW-QMMMGPOBSA-N 0 3 280.332 -1.145 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCn1cncn1 ZINC001402963473 889276141 /nfs/dbraw/zinc/27/61/41/889276141.db2.gz SHTJHVBIELZNLR-UWVGGRQHSA-N 0 3 282.348 -1.103 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N1CCC1 ZINC001402982095 889276273 /nfs/dbraw/zinc/27/62/73/889276273.db2.gz GVWNYRHOVYUREF-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001402962540 889276745 /nfs/dbraw/zinc/27/67/45/889276745.db2.gz AVQWLDXDJOFOQL-IUCAKERBSA-N 0 3 284.360 -1.307 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CNC(=O)OC ZINC001402971852 889276899 /nfs/dbraw/zinc/27/68/99/889276899.db2.gz WAAKPVGKXZLLST-SFYZADRCSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)NCCF ZINC001402945809 889277019 /nfs/dbraw/zinc/27/70/19/889277019.db2.gz RWUGFFVQEGPMIS-JTQLQIEISA-N 0 3 274.340 -1.176 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCn1cncn1 ZINC001402963487 889277090 /nfs/dbraw/zinc/27/70/90/889277090.db2.gz SHTJHVBIELZNLR-ZJUUUORDSA-N 0 3 282.348 -1.103 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)NCC(N)=O ZINC001402963600 889277801 /nfs/dbraw/zinc/27/78/01/889277801.db2.gz ALCHUWWWAKXZCQ-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1)C(=O)N(C)C ZINC001402987257 889277862 /nfs/dbraw/zinc/27/78/62/889277862.db2.gz VKMMEULYWQCQKW-DTWKUNHWSA-N 0 3 295.343 -1.046 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1nnn(C)c1C ZINC001402980557 889277880 /nfs/dbraw/zinc/27/78/80/889277880.db2.gz ZZNIDEAEYNDDHM-YUMQZZPRSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)c1cnnn1C ZINC001403004120 889277957 /nfs/dbraw/zinc/27/79/57/889277957.db2.gz RBFYTWIULPGQLC-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCC1 ZINC001402982103 889278112 /nfs/dbraw/zinc/27/81/12/889278112.db2.gz GVWNYRHOVYUREF-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N1CCC1 ZINC001402996997 889278214 /nfs/dbraw/zinc/27/82/14/889278214.db2.gz HMDQZCKZJKPRDG-BBBLOLIVSA-N 0 3 282.344 -1.566 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)[C@@H]2CN(C)C(=O)N2)n[nH]1 ZINC001403012610 889278970 /nfs/dbraw/zinc/27/89/70/889278970.db2.gz VAQOSCKHOZTABM-CBAPKCEASA-N 0 3 295.347 -1.269 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001403036346 889279135 /nfs/dbraw/zinc/27/91/35/889279135.db2.gz FJFWQLGSMMUQHM-SFYZADRCSA-N 0 3 295.343 -1.044 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001403069569 889279343 /nfs/dbraw/zinc/27/93/43/889279343.db2.gz LKHWKZZLBLWGGC-HTQZYQBOSA-N 0 3 295.343 -1.044 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)CCn1cnnn1 ZINC001403069660 889279417 /nfs/dbraw/zinc/27/94/17/889279417.db2.gz QXJRXBGSPWXMFC-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@H](CNC(=O)c1nc2ncccn2n1)N[C@H](C)C(N)=O ZINC001403084136 889279505 /nfs/dbraw/zinc/27/95/05/889279505.db2.gz NCSFEMIHMLDAHR-HTQZYQBOSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)NCCS(C)(=O)=O ZINC001403015162 889279846 /nfs/dbraw/zinc/27/98/46/889279846.db2.gz SXSSWCUWKOCTDT-IUCAKERBSA-N 0 3 293.389 -1.363 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCn1cnccc1=O ZINC001403045494 889279883 /nfs/dbraw/zinc/27/98/83/889279883.db2.gz JPCLDBCULLFGBA-NXEZZACHSA-N 0 3 295.343 -1.399 20 0 CAADHN C[C@@H](CNC(=O)COCc1nncn1C)NCC(N)=O ZINC001403081809 889280382 /nfs/dbraw/zinc/28/03/82/889280382.db2.gz JEJVTKSLZQAKCC-QMMMGPOBSA-N 0 3 284.320 -2.089 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001403019247 889280437 /nfs/dbraw/zinc/28/04/37/889280437.db2.gz XQEULUIJWDBCEU-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1nnn(C)c1C ZINC001403018270 889280471 /nfs/dbraw/zinc/28/04/71/889280471.db2.gz RNBBLIWYZUDWEW-SFYZADRCSA-N 0 3 282.348 -1.034 20 0 CAADHN CNC(=O)c1ccc(C(=O)NC[C@H](C)NCC(N)=O)cn1 ZINC001403081935 889280504 /nfs/dbraw/zinc/28/05/04/889280504.db2.gz JPAIJWZKIMSHEM-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001403040000 889280781 /nfs/dbraw/zinc/28/07/81/889280781.db2.gz KAUZBFSQCGHNTE-IUCAKERBSA-N 0 3 295.343 -1.046 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCCC(N)=O ZINC001403058841 889280908 /nfs/dbraw/zinc/28/09/08/889280908.db2.gz XTIRIWNVRMVBOG-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1ccn(C)c(=O)c1 ZINC001403027710 889281029 /nfs/dbraw/zinc/28/10/29/889281029.db2.gz OZWOJTKTXPPMTN-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001403019227 889281052 /nfs/dbraw/zinc/28/10/52/889281052.db2.gz XQEULUIJWDBCEU-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN COc1c(C(=O)NC[C@H](C)NCC(N)=O)c(C)nn1C ZINC001403053614 889281198 /nfs/dbraw/zinc/28/11/98/889281198.db2.gz SEYRMTSWXWHNGY-ZETCQYMHSA-N 0 3 283.332 -1.070 20 0 CAADHN C[C@@H](CNC(=O)c1cccnn1)N[C@@H](C)C(=O)NC(N)=O ZINC001403071418 889281252 /nfs/dbraw/zinc/28/12/52/889281252.db2.gz VGBUJLZKTZYITD-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1nc2ncccn2n1)C(N)=O ZINC001403084143 889281801 /nfs/dbraw/zinc/28/18/01/889281801.db2.gz NCSFEMIHMLDAHR-JGVFFNPUSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](NC(=O)c1ccc(=O)n(C)c1)[C@H](C)NCC(N)=O ZINC001403032470 889281653 /nfs/dbraw/zinc/28/16/53/889281653.db2.gz ZBMPXFCKGZJEDX-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001403058369 889281703 /nfs/dbraw/zinc/28/17/03/889281703.db2.gz YAMQYENVELNSME-YUMQZZPRSA-N 0 3 293.389 -1.222 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(=O)N1CCC1 ZINC001403019740 889281839 /nfs/dbraw/zinc/28/18/39/889281839.db2.gz XZCHVLVADKNMCN-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)[C@H]2CN(C)C(=O)N2)n[nH]1 ZINC001403012614 889281880 /nfs/dbraw/zinc/28/18/80/889281880.db2.gz VAQOSCKHOZTABM-IONNQARKSA-N 0 3 295.347 -1.269 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)CCn1cnnn1 ZINC001403069655 889282354 /nfs/dbraw/zinc/28/23/54/889282354.db2.gz QXJRXBGSPWXMFC-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001403041973 889282456 /nfs/dbraw/zinc/28/24/56/889282456.db2.gz YLDCHVVUMVBHTQ-YUMQZZPRSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@H](CNC(=O)c1cccnn1)N[C@H](C)C(=O)NC(N)=O ZINC001403071403 889282787 /nfs/dbraw/zinc/28/27/87/889282787.db2.gz VGBUJLZKTZYITD-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1ccn(C)c(=O)c1 ZINC001403027724 889283114 /nfs/dbraw/zinc/28/31/14/889283114.db2.gz OZWOJTKTXPPMTN-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc(=O)n(C)c1 ZINC001403032472 889283219 /nfs/dbraw/zinc/28/32/19/889283219.db2.gz ZBMPXFCKGZJEDX-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN CCN1CC[C@@H](N[C@H]2CCN(C(=O)CNC(C)=O)C2)C1=O ZINC001403148639 889284890 /nfs/dbraw/zinc/28/48/90/889284890.db2.gz MDOMMXIVRLYDPD-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001403093225 889285458 /nfs/dbraw/zinc/28/54/58/889285458.db2.gz ZMKGVALCOGNUKR-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)N(C)C1CC1 ZINC001403091555 889285851 /nfs/dbraw/zinc/28/58/51/889285851.db2.gz MSHNTUYNQZKUCF-KOLCDFICSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)N(C)C1CC1 ZINC001403091561 889286064 /nfs/dbraw/zinc/28/60/64/889286064.db2.gz MSHNTUYNQZKUCF-ONGXEEELSA-N 0 3 296.371 -1.020 20 0 CAADHN COCCn1cc(C(=O)NC[C@@H](C)N(C)CCO)nn1 ZINC001403120272 889287900 /nfs/dbraw/zinc/28/79/00/889287900.db2.gz PTSFURLBXODDFW-SNVBAGLBSA-N 0 3 285.348 -1.033 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)NCC(N)=O ZINC001403129945 889288392 /nfs/dbraw/zinc/28/83/92/889288392.db2.gz FWVZENQIXSXXDU-MRVPVSSYSA-N 0 3 272.349 -1.272 20 0 CAADHN CNC(=O)c1cccc(C(=O)NC[C@@H](C)NCC(N)=O)n1 ZINC001403119431 889288587 /nfs/dbraw/zinc/28/85/87/889288587.db2.gz RVTZBCPGHWENOC-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN COC[C@@H](OC)C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001403196545 889289111 /nfs/dbraw/zinc/28/91/11/889289111.db2.gz YCTYKKOHCWLOQC-WDEREUQCSA-N 0 3 287.360 -1.074 20 0 CAADHN COC[C@H](OC)C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001403196544 889289479 /nfs/dbraw/zinc/28/94/79/889289479.db2.gz YCTYKKOHCWLOQC-QWRGUYRKSA-N 0 3 287.360 -1.074 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)CCNC(=O)NC)C1)C(N)=O ZINC001403160282 889289874 /nfs/dbraw/zinc/28/98/74/889289874.db2.gz DIQJYGVUWSUQPI-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2ncc[nH]2)C1)C(=O)NC(N)=O ZINC001403164459 889290070 /nfs/dbraw/zinc/29/00/70/889290070.db2.gz XBHWZCVAVRVRET-YUMQZZPRSA-N 0 3 294.315 -1.203 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001403181447 889290106 /nfs/dbraw/zinc/29/01/06/889290106.db2.gz MZOPTNVFFFKRKQ-YUMQZZPRSA-N 0 3 271.321 -2.020 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)CC)C1 ZINC001403162432 889291232 /nfs/dbraw/zinc/29/12/32/889291232.db2.gz HBKUJEZRWKTTIV-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001403166914 889291366 /nfs/dbraw/zinc/29/13/66/889291366.db2.gz WRRLJVLFMZGBHX-UWVGGRQHSA-N 0 3 299.375 -1.242 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001403160253 889291483 /nfs/dbraw/zinc/29/14/83/889291483.db2.gz CBCXSKMQMAKJEE-JTQLQIEISA-N 0 3 295.347 -1.612 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC001403202499 889291827 /nfs/dbraw/zinc/29/18/27/889291827.db2.gz XYGYJUWNWWBTQC-QMMMGPOBSA-N 0 3 292.299 -1.524 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001403181446 889292464 /nfs/dbraw/zinc/29/24/64/889292464.db2.gz MZOPTNVFFFKRKQ-SFYZADRCSA-N 0 3 271.321 -2.020 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2[n-]nnc2C)C1 ZINC001403237086 889293197 /nfs/dbraw/zinc/29/31/97/889293197.db2.gz GIXCSXGWTPZZDD-VIFPVBQESA-N 0 3 280.332 -1.089 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001403215505 889294136 /nfs/dbraw/zinc/29/41/36/889294136.db2.gz WQQCLMJLFOUXSB-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001403211690 889294741 /nfs/dbraw/zinc/29/47/41/889294741.db2.gz CYVZYTKBGBQWCP-UWVGGRQHSA-N 0 3 297.359 -1.486 20 0 CAADHN C[C@H](NC(=O)CCn1cnnn1)C1CN(CCCO)C1 ZINC001403324753 889298883 /nfs/dbraw/zinc/29/88/83/889298883.db2.gz MGLSITBRKFHKTQ-JTQLQIEISA-N 0 3 282.348 -1.118 20 0 CAADHN C[C@@H](NC(=O)CCn1cnnn1)C1CN(CCCO)C1 ZINC001403324756 889299544 /nfs/dbraw/zinc/29/95/44/889299544.db2.gz MGLSITBRKFHKTQ-SNVBAGLBSA-N 0 3 282.348 -1.118 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CCO)CC1(C)C ZINC001403368862 889299713 /nfs/dbraw/zinc/29/97/13/889299713.db2.gz UJOQAFNBNRIWMN-SECBINFHSA-N 0 3 272.349 -1.266 20 0 CAADHN COC[C@@H](O)CN1CC([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC001403318077 889300701 /nfs/dbraw/zinc/30/07/01/889300701.db2.gz FZAKAEUJNWRJOZ-WPRPVWTQSA-N 0 3 298.347 -1.733 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001403410807 889301726 /nfs/dbraw/zinc/30/17/26/889301726.db2.gz FWZIQCYITODUJE-KOLCDFICSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001403429293 889301941 /nfs/dbraw/zinc/30/19/41/889301941.db2.gz WNBIRTAGNTVUHH-QWRGUYRKSA-N 0 3 295.343 -1.426 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001403419683 889302499 /nfs/dbraw/zinc/30/24/99/889302499.db2.gz LUBACVORVOGHLG-BDAKNGLRSA-N 0 3 296.331 -1.630 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001403419683 889302506 /nfs/dbraw/zinc/30/25/06/889302506.db2.gz LUBACVORVOGHLG-BDAKNGLRSA-N 0 3 296.331 -1.630 20 0 CAADHN CCNC(=O)CN1C[C@@H]2[C@@H](CNC(=O)c3nnc[nH]3)[C@@H]2C1 ZINC001403425446 889302647 /nfs/dbraw/zinc/30/26/47/889302647.db2.gz QEANJKVHAPTFFT-OWUUHHOZSA-N 0 3 292.343 -1.152 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001403434637 889302774 /nfs/dbraw/zinc/30/27/74/889302774.db2.gz UTKBYUGRZQBGHT-MWLCHTKSSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2ccncn2)CCO1 ZINC001403416319 889303533 /nfs/dbraw/zinc/30/35/33/889303533.db2.gz JZJLACOYJUVUNR-MWLCHTKSSA-N 0 3 293.327 -1.219 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001403419709 889304132 /nfs/dbraw/zinc/30/41/32/889304132.db2.gz LUBACVORVOGHLG-RKDXNWHRSA-N 0 3 296.331 -1.630 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001403419709 889304148 /nfs/dbraw/zinc/30/41/48/889304148.db2.gz LUBACVORVOGHLG-RKDXNWHRSA-N 0 3 296.331 -1.630 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnn(C)c2)CCO1 ZINC001403437490 889304210 /nfs/dbraw/zinc/30/42/10/889304210.db2.gz XQUPXQZLIKKWTE-MWLCHTKSSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001403429279 889304242 /nfs/dbraw/zinc/30/42/42/889304242.db2.gz WNBIRTAGNTVUHH-GHMZBOCLSA-N 0 3 295.343 -1.426 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)C1=COCCO1 ZINC001403482330 889306793 /nfs/dbraw/zinc/30/67/93/889306793.db2.gz IJXCQFZSLZPNPR-SNVBAGLBSA-N 0 3 274.317 -1.070 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)NCCS(C)(=O)=O ZINC001403509308 889307086 /nfs/dbraw/zinc/30/70/86/889307086.db2.gz BQAYXDOFNZVGBK-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)N[C@H]1CCN(C)C1=O ZINC001403513428 889307484 /nfs/dbraw/zinc/30/74/84/889307484.db2.gz JYLKEALTLOUFSU-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN CC(=O)NCC(=O)NCCN(C)C[C@H](O)Cn1cccn1 ZINC001403487435 889308042 /nfs/dbraw/zinc/30/80/42/889308042.db2.gz JONLTYFVQIZBMV-LBPRGKRZSA-N 0 3 297.359 -1.572 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)NCCS(C)(=O)=O ZINC001403509310 889308104 /nfs/dbraw/zinc/30/81/04/889308104.db2.gz BQAYXDOFNZVGBK-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)Cn1cnnn1 ZINC001403493632 889309115 /nfs/dbraw/zinc/30/91/15/889309115.db2.gz KUDDMDGYEMLVLJ-SECBINFHSA-N 0 3 272.309 -2.272 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnnn1C)N[C@@H]1CCNC1=O ZINC001403545757 889310739 /nfs/dbraw/zinc/31/07/39/889310739.db2.gz FGCWPCORJFVKRT-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCOCC1)N[C@@H]1CCNC1=O ZINC001403540922 889311236 /nfs/dbraw/zinc/31/12/36/889311236.db2.gz LSWXDECPOBSZPB-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001403553593 889311682 /nfs/dbraw/zinc/31/16/82/889311682.db2.gz KVDAICCIYJSBFT-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)NCC(N)=O ZINC001403533044 889311772 /nfs/dbraw/zinc/31/17/72/889311772.db2.gz COBBEDGQNYVEKL-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H]1CCNC1=O ZINC001403552454 889311892 /nfs/dbraw/zinc/31/18/92/889311892.db2.gz XPPWZAMRFXFNPV-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O ZINC001403552371 889312168 /nfs/dbraw/zinc/31/21/68/889312168.db2.gz FUAQYNUJKOIELC-WCBMZHEXSA-N 0 3 288.348 -1.365 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ncn(C)n1)N[C@H]1CCNC1=O ZINC001403550161 889312226 /nfs/dbraw/zinc/31/22/26/889312226.db2.gz CPNXHVXFJZDINA-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)N[C@H]1CCN(C)C1=O ZINC001403564426 889312672 /nfs/dbraw/zinc/31/26/72/889312672.db2.gz JZCUIQOQINZUNK-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)NCC(N)=O ZINC001403541999 889312849 /nfs/dbraw/zinc/31/28/49/889312849.db2.gz LWLYQQNVLBRUDP-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001403564421 889312971 /nfs/dbraw/zinc/31/29/71/889312971.db2.gz JZCUIQOQINZUNK-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C1CN(C(C)=O)C1 ZINC001403548262 889313410 /nfs/dbraw/zinc/31/34/10/889313410.db2.gz RKLSFZXDLIPULI-VIFPVBQESA-N 0 3 284.360 -1.353 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001403532281 889313736 /nfs/dbraw/zinc/31/37/36/889313736.db2.gz DKLIXWATDXXALV-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCc1nc(=O)n(C)[n-]1 ZINC001403600260 889316222 /nfs/dbraw/zinc/31/62/22/889316222.db2.gz ZCVRFWDNBBZFAK-JTQLQIEISA-N 0 3 298.391 -1.003 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CCNC(N)=O ZINC001403604866 889317405 /nfs/dbraw/zinc/31/74/05/889317405.db2.gz CCBGZIDCAZLUGZ-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)NCC(N)=O ZINC001403584123 889317810 /nfs/dbraw/zinc/31/78/10/889317810.db2.gz BSYRCPSMUGZHHF-VIFPVBQESA-N 0 3 282.348 -1.331 20 0 CAADHN CN(CCO)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001403610652 889318204 /nfs/dbraw/zinc/31/82/04/889318204.db2.gz IMNGFUJJZMKRIQ-VIFPVBQESA-N 0 3 283.332 -1.414 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001403614300 889318325 /nfs/dbraw/zinc/31/83/25/889318325.db2.gz VEIKSRNKVNBVFD-SNVBAGLBSA-N 0 3 272.349 -1.183 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)Cn1ncn(C)c1=O ZINC001403585650 889318725 /nfs/dbraw/zinc/31/87/25/889318725.db2.gz GWNHSGOBBUHMJO-VIFPVBQESA-N 0 3 271.321 -1.989 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1cnnn1)N[C@H]1CCNC1=O ZINC001403603814 889318524 /nfs/dbraw/zinc/31/85/24/889318524.db2.gz CBVMUSKGHBERCH-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CN(C)C(=O)c1nnn(C)n1)N[C@H]1CCN(C)C1=O ZINC001403573420 889318598 /nfs/dbraw/zinc/31/85/98/889318598.db2.gz FIOHODAILZLFIM-BDAKNGLRSA-N 0 3 295.347 -1.509 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CCc1cnn(C)n1 ZINC001403584187 889319259 /nfs/dbraw/zinc/31/92/59/889319259.db2.gz CKXBWFKWRZZIHD-SNVBAGLBSA-N 0 3 296.375 -1.070 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001403610646 889320099 /nfs/dbraw/zinc/32/00/99/889320099.db2.gz IMNGFUJJZMKRIQ-SECBINFHSA-N 0 3 283.332 -1.414 20 0 CAADHN C[C@H](CN(C)C(=O)CC[NH+](C)C)NCc1nc(=O)n(C)[n-]1 ZINC001403600263 889319813 /nfs/dbraw/zinc/31/98/13/889319813.db2.gz ZCVRFWDNBBZFAK-SNVBAGLBSA-N 0 3 298.391 -1.003 20 0 CAADHN C[C@H](CN(C)C(=O)c1cccnc1C(N)=O)NCC(N)=O ZINC001403618810 889320960 /nfs/dbraw/zinc/32/09/60/889320960.db2.gz DUOIFGXDMLFSLL-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cncn1)N[C@@H]1CCCNC1=O ZINC001403619157 889321301 /nfs/dbraw/zinc/32/13/01/889321301.db2.gz YCIVHEGLYGBPJH-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cncn1)N[C@H]1CCNC1=O ZINC001403615982 889321350 /nfs/dbraw/zinc/32/13/50/889321350.db2.gz VBZQHNIQBZULAN-UWVGGRQHSA-N 0 3 280.332 -1.397 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cccnc1C(N)=O)NCC(N)=O ZINC001403618823 889321373 /nfs/dbraw/zinc/32/13/73/889321373.db2.gz DUOIFGXDMLFSLL-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cncn1)N[C@H]1CCCNC1=O ZINC001403619174 889321419 /nfs/dbraw/zinc/32/14/19/889321419.db2.gz YCIVHEGLYGBPJH-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cncn1)N[C@H]1CCCNC1=O ZINC001403619166 889321822 /nfs/dbraw/zinc/32/18/22/889321822.db2.gz YCIVHEGLYGBPJH-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cccn(C)c1=O)NCC(N)=O ZINC001403625703 889322649 /nfs/dbraw/zinc/32/26/49/889322649.db2.gz DLNCRBZJKDDLHA-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)c1ccon1 ZINC001403637296 889323505 /nfs/dbraw/zinc/32/35/05/889323505.db2.gz DAWKSWORDCBPTO-SECBINFHSA-N 0 3 297.315 -1.620 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCCC1=O)C(F)F ZINC001403628876 889324287 /nfs/dbraw/zinc/32/42/87/889324287.db2.gz XHUBTTZNFLBIBA-MRVPVSSYSA-N 0 3 279.287 -1.059 20 0 CAADHN CN(CCNC(=O)c1nnn(C)n1)CCc1cnn(C)c1 ZINC001403640855 889326387 /nfs/dbraw/zinc/32/63/87/889326387.db2.gz MIGHXZLVWAWEEO-UHFFFAOYSA-N 0 3 292.347 -1.152 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1nnn(C)n1 ZINC001403642727 889327217 /nfs/dbraw/zinc/32/72/17/889327217.db2.gz QDRIBPAKMFLCIR-QMMMGPOBSA-N 0 3 272.309 -2.121 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](CO)NCCn2cncn2)[nH]1 ZINC001403655075 889332350 /nfs/dbraw/zinc/33/23/50/889332350.db2.gz RYECBPLAUHJYCY-JTQLQIEISA-N 0 3 293.331 -1.310 20 0 CAADHN O=C(NC[C@@H](CO)[NH2+]C[C@H]1CCOC1)c1cnc[n-]c1=O ZINC001403670612 889338822 /nfs/dbraw/zinc/33/88/22/889338822.db2.gz QYSUHTVTHIPVDF-ZJUUUORDSA-N 0 3 296.327 -1.101 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCCC1=O)c1ncc[nH]1 ZINC001403671074 889339028 /nfs/dbraw/zinc/33/90/28/889339028.db2.gz YLVHHGBABOELNO-JTQLQIEISA-N 0 3 295.343 -1.288 20 0 CAADHN C[C@@H](O)CN[C@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001403679632 889344642 /nfs/dbraw/zinc/34/46/42/889344642.db2.gz XVIOTPOVBRKQRP-SCZZXKLOSA-N 0 3 294.373 -2.131 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@H]1CNC(=O)N1 ZINC001403693138 889346959 /nfs/dbraw/zinc/34/69/59/889346959.db2.gz DRXKCUZJXHXOTI-DTWKUNHWSA-N 0 3 297.319 -2.974 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@@H]1CNC(=O)N1 ZINC001403693137 889349365 /nfs/dbraw/zinc/34/93/65/889349365.db2.gz DRXKCUZJXHXOTI-BDAKNGLRSA-N 0 3 297.319 -2.974 20 0 CAADHN Cn1ccnc1CN[C@H](CO)CNC(=O)Cc1cnc[nH]1 ZINC001403706618 889353578 /nfs/dbraw/zinc/35/35/78/889353578.db2.gz VFMYYLKSARBWHR-NSHDSACASA-N 0 3 292.343 -1.047 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001403707851 889354097 /nfs/dbraw/zinc/35/40/97/889354097.db2.gz UCZLZEJRKREIAJ-DCAQKATOSA-N 0 3 284.360 -1.266 20 0 CAADHN Cc1ncc(CN[C@@H](CO)CNC(=O)c2nnc[nH]2)cn1 ZINC001403710788 889356841 /nfs/dbraw/zinc/35/68/41/889356841.db2.gz SCLLDEISVBQOBB-SNVBAGLBSA-N 0 3 291.315 -1.216 20 0 CAADHN Cc1ncc(CN[C@@H](CO)CNC(=O)c2ncn[nH]2)cn1 ZINC001403710788 889356856 /nfs/dbraw/zinc/35/68/56/889356856.db2.gz SCLLDEISVBQOBB-SNVBAGLBSA-N 0 3 291.315 -1.216 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NCCN(C)C[C@@H](C)O ZINC001403715952 889357138 /nfs/dbraw/zinc/35/71/38/889357138.db2.gz JFNMWSOPCVLSNU-SNVBAGLBSA-N 0 3 295.405 -1.303 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](CO)NCCn2cncn2)CCOC1 ZINC001403712068 889358809 /nfs/dbraw/zinc/35/88/09/889358809.db2.gz DGCAERBZVLVRMG-DGCLKSJQSA-N 0 3 297.359 -1.229 20 0 CAADHN C[C@]1(C(=O)NC[C@H](CO)NCCn2cncn2)CCOC1 ZINC001403712070 889358832 /nfs/dbraw/zinc/35/88/32/889358832.db2.gz DGCAERBZVLVRMG-YPMHNXCESA-N 0 3 297.359 -1.229 20 0 CAADHN CCNC(=O)CCC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001403743963 889359619 /nfs/dbraw/zinc/35/96/19/889359619.db2.gz GVDKRVYIKYSXIQ-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](O)CN[C@@H](CO)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001403728225 889359663 /nfs/dbraw/zinc/35/96/63/889359663.db2.gz HVANXGXDSRCZHL-DTWKUNHWSA-N 0 3 296.389 -1.743 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NCc1cnon1 ZINC001403741323 889360039 /nfs/dbraw/zinc/36/00/39/889360039.db2.gz FJMRUKSUNKIJJJ-LLVKDONJSA-N 0 3 285.348 -1.024 20 0 CAADHN C[C@@H](N[C@@H](CO)CNC(=O)CN1CCCC1)C(N)=O ZINC001403734136 889360336 /nfs/dbraw/zinc/36/03/36/889360336.db2.gz DDPDVBNQQNDSCL-NXEZZACHSA-N 0 3 272.349 -1.977 20 0 CAADHN C[C@H](N[C@H](CO)CNC(=O)CN1CCCC1)C(N)=O ZINC001403734140 889360595 /nfs/dbraw/zinc/36/05/95/889360595.db2.gz DDPDVBNQQNDSCL-UWVGGRQHSA-N 0 3 272.349 -1.977 20 0 CAADHN O=C(CN[C@H](CO)CNC(=O)CN1CCCC1)NC1CC1 ZINC001403738353 889361421 /nfs/dbraw/zinc/36/14/21/889361421.db2.gz GRZVMBRRQPLUJY-LBPRGKRZSA-N 0 3 298.387 -1.573 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001403739217 889361758 /nfs/dbraw/zinc/36/17/58/889361758.db2.gz JTAPKIJMFUNTGR-PSASIEDQSA-N 0 3 270.333 -1.471 20 0 CAADHN COC[C@@H](C)N(C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001403790296 889363920 /nfs/dbraw/zinc/36/39/20/889363920.db2.gz OUCZQARSYFTXRP-SECBINFHSA-N 0 3 298.347 -1.540 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NCc1nncn1C ZINC001403747365 889363981 /nfs/dbraw/zinc/36/39/81/889363981.db2.gz JKJGLKZVCQNZAW-LLVKDONJSA-N 0 3 298.391 -1.278 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N(C)C)[C@@H]1C ZINC001403756839 889364157 /nfs/dbraw/zinc/36/41/57/889364157.db2.gz UOTOTOWRHATACG-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)c1cn[nH]c1 ZINC001403753972 889364257 /nfs/dbraw/zinc/36/42/57/889364257.db2.gz OBILWYMGQXJGLU-APPZFPTMSA-N 0 3 294.315 -1.203 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001403795229 889365020 /nfs/dbraw/zinc/36/50/20/889365020.db2.gz UPVNHWZMNXNEHV-GHMZBOCLSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCn2cncn2)C1 ZINC001403757496 889365454 /nfs/dbraw/zinc/36/54/54/889365454.db2.gz WOTKEWYTXJQNDX-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCn2cncn2)C1 ZINC001403757543 889365668 /nfs/dbraw/zinc/36/56/68/889365668.db2.gz WOTKEWYTXJQNDX-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)Cn2cnnn2)C1 ZINC001403748866 889366483 /nfs/dbraw/zinc/36/64/83/889366483.db2.gz PRHRWPFRZVMVOP-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)[C@@H]1C ZINC001403745040 889367003 /nfs/dbraw/zinc/36/70/03/889367003.db2.gz LNFKJDTWXILJJW-BXKDBHETSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)c1cn[nH]c1 ZINC001403754001 889367207 /nfs/dbraw/zinc/36/72/07/889367207.db2.gz OBILWYMGQXJGLU-VXNVDRBHSA-N 0 3 294.315 -1.203 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001403795260 889367499 /nfs/dbraw/zinc/36/74/99/889367499.db2.gz UPVNHWZMNXNEHV-QWRGUYRKSA-N 0 3 296.371 -1.162 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@H]1C ZINC001403756842 889367527 /nfs/dbraw/zinc/36/75/27/889367527.db2.gz UOTOTOWRHATACG-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN Cc1ncsc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001403830327 889368698 /nfs/dbraw/zinc/36/86/98/889368698.db2.gz MOBOQIGMVBLTLW-MRVPVSSYSA-N 0 3 286.357 -1.041 20 0 CAADHN CC(C)OCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001403831937 889368730 /nfs/dbraw/zinc/36/87/30/889368730.db2.gz NUMNADXFKXLNCO-UWVGGRQHSA-N 0 3 275.349 -1.306 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](O)CN[C@@H]2CCNC2=O)co1 ZINC001403819439 889369462 /nfs/dbraw/zinc/36/94/62/889369462.db2.gz GKSHMSBNFJQTAY-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1ccon1)C(N)=O ZINC001403821425 889369532 /nfs/dbraw/zinc/36/95/32/889369532.db2.gz DVYISVLGFHQPQO-PSASIEDQSA-N 0 3 284.316 -1.500 20 0 CAADHN CCN(CCNC(=O)[C@H]1CCC(=O)N1)C[C@H](O)COC ZINC001403817802 889369602 /nfs/dbraw/zinc/36/96/02/889369602.db2.gz KIXWEHNVAMZOSV-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cc1ccon1)C(N)=O ZINC001403821490 889369633 /nfs/dbraw/zinc/36/96/33/889369633.db2.gz DVYISVLGFHQPQO-WPRPVWTQSA-N 0 3 284.316 -1.500 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CNC(C)=O ZINC001403827410 889369882 /nfs/dbraw/zinc/36/98/82/889369882.db2.gz HFTVFAVQZNTMRC-VIFPVBQESA-N 0 3 274.321 -2.723 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)Cc1ccon1 ZINC001403830143 889369937 /nfs/dbraw/zinc/36/99/37/889369937.db2.gz PAXMJDGAWAYGAD-WDEREUQCSA-N 0 3 296.327 -1.486 20 0 CAADHN CC(C)OCC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001403831918 889370022 /nfs/dbraw/zinc/37/00/22/889370022.db2.gz NUMNADXFKXLNCO-NXEZZACHSA-N 0 3 275.349 -1.306 20 0 CAADHN Cc1ncsc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001403830333 889370158 /nfs/dbraw/zinc/37/01/58/889370158.db2.gz MOBOQIGMVBLTLW-QMMMGPOBSA-N 0 3 286.357 -1.041 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nnn(C)c1C ZINC001403815678 889370370 /nfs/dbraw/zinc/37/03/70/889370370.db2.gz BEPAJJSOTWPJHV-SECBINFHSA-N 0 3 298.347 -2.108 20 0 CAADHN Cc1cnn(CC(=O)N(C)C[C@H](O)CNCC(N)=O)c1 ZINC001403816021 889370805 /nfs/dbraw/zinc/37/08/05/889370805.db2.gz AZNHQRZMYONXFF-SNVBAGLBSA-N 0 3 283.332 -1.914 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)c1ccco1 ZINC001403822207 889371294 /nfs/dbraw/zinc/37/12/94/889371294.db2.gz CXKBHEPLWRUWSC-QMMMGPOBSA-N 0 3 298.299 -1.503 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001403822341 889371380 /nfs/dbraw/zinc/37/13/80/889371380.db2.gz ISZNQMZOARXOOU-YUMQZZPRSA-N 0 3 289.336 -2.802 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C1CCOCC1 ZINC001403832607 889371441 /nfs/dbraw/zinc/37/14/41/889371441.db2.gz RPKYJAXOKWCFEP-NEPJUHHUSA-N 0 3 299.371 -1.290 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](O)CN[C@@H]2CCNC2=O)co1 ZINC001403819395 889371482 /nfs/dbraw/zinc/37/14/82/889371482.db2.gz GKSHMSBNFJQTAY-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cscn1 ZINC001403834019 889371504 /nfs/dbraw/zinc/37/15/04/889371504.db2.gz RVCPSMIZCUAKHO-MRVPVSSYSA-N 0 3 286.357 -1.088 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)CCn1ccnn1)C(N)=O ZINC001403813470 889371529 /nfs/dbraw/zinc/37/15/29/889371529.db2.gz AVEIIFNVQPBGIC-NXEZZACHSA-N 0 3 298.347 -2.049 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)Cc1ccon1 ZINC001403830115 889371553 /nfs/dbraw/zinc/37/15/53/889371553.db2.gz PAXMJDGAWAYGAD-MNOVXSKESA-N 0 3 296.327 -1.486 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@H]1CCCO1 ZINC001403830347 889371605 /nfs/dbraw/zinc/37/16/05/889371605.db2.gz MOJZJNDMXXQZEF-VHSXEESVSA-N 0 3 273.333 -1.550 20 0 CAADHN CO[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)N1CCC1 ZINC001403833874 889371625 /nfs/dbraw/zinc/37/16/25/889371625.db2.gz QZENPNIJBSZQNP-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN CC[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001403812043 889371683 /nfs/dbraw/zinc/37/16/83/889371683.db2.gz IICLKTCNEGENRQ-IUCAKERBSA-N 0 3 288.348 -1.364 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001403826643 889371796 /nfs/dbraw/zinc/37/17/96/889371796.db2.gz BXQQISQFNPGMFV-BDAKNGLRSA-N 0 3 288.348 -2.205 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)C(C)(F)F ZINC001403828961 889371824 /nfs/dbraw/zinc/37/18/24/889371824.db2.gz NFMJGPMVBNRDSZ-LURJTMIESA-N 0 3 296.274 -1.755 20 0 CAADHN CCCC(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001403827712 889371883 /nfs/dbraw/zinc/37/18/83/889371883.db2.gz HZYDTMFYRQTECW-QMMMGPOBSA-N 0 3 274.321 -1.610 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001403826663 889372060 /nfs/dbraw/zinc/37/20/60/889372060.db2.gz BXQQISQFNPGMFV-IUCAKERBSA-N 0 3 288.348 -2.205 20 0 CAADHN COCCC(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001403829728 889372468 /nfs/dbraw/zinc/37/24/68/889372468.db2.gz HBSCIMCYQZPRAP-JTQLQIEISA-N 0 3 275.349 -1.480 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001403827487 889372183 /nfs/dbraw/zinc/37/21/83/889372183.db2.gz LGKAMPLQZJCZRY-SSDOTTSWSA-N 0 3 276.293 -2.763 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)Cc1ccon1 ZINC001403830100 889372321 /nfs/dbraw/zinc/37/23/21/889372321.db2.gz PAXMJDGAWAYGAD-GHMZBOCLSA-N 0 3 296.327 -1.486 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@@H]1CCCO1 ZINC001403830344 889372562 /nfs/dbraw/zinc/37/25/62/889372562.db2.gz MOJZJNDMXXQZEF-UWVGGRQHSA-N 0 3 273.333 -1.550 20 0 CAADHN COCCC(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001403829733 889372619 /nfs/dbraw/zinc/37/26/19/889372619.db2.gz HBSCIMCYQZPRAP-SNVBAGLBSA-N 0 3 275.349 -1.480 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)[nH]1 ZINC001403841116 889373379 /nfs/dbraw/zinc/37/33/79/889373379.db2.gz KKKSRQVOXZGNJQ-IONNQARKSA-N 0 3 298.347 -2.062 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001403835803 889373672 /nfs/dbraw/zinc/37/36/72/889373672.db2.gz VPIJFWHTUDHGOP-KOLCDFICSA-N 0 3 297.359 -1.201 20 0 CAADHN CCC(=O)N(C)C[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001403840568 889373847 /nfs/dbraw/zinc/37/38/47/889373847.db2.gz QVSYSOQHNCZLNW-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNCC(=O)NC(C)C ZINC001403842520 889374050 /nfs/dbraw/zinc/37/40/50/889374050.db2.gz UIGJWXMQHJSVMU-SNVBAGLBSA-N 0 3 275.349 -1.434 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001403844155 889374195 /nfs/dbraw/zinc/37/41/95/889374195.db2.gz JAJNBAQSCPUAHH-DTWKUNHWSA-N 0 3 286.332 -2.641 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001403847195 889374858 /nfs/dbraw/zinc/37/48/58/889374858.db2.gz RPMDDGUZNFDXBR-HTQZYQBOSA-N 0 3 288.304 -2.750 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cnns1)C(N)=O ZINC001403838704 889375014 /nfs/dbraw/zinc/37/50/14/889375014.db2.gz XMFAZAOOSPNJIQ-BQBZGAKWSA-N 0 3 287.345 -1.566 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001403835790 889375118 /nfs/dbraw/zinc/37/51/18/889375118.db2.gz VPIJFWHTUDHGOP-GXSJLCMTSA-N 0 3 297.359 -1.201 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@]12C[C@H]1COC2 ZINC001403836863 889375316 /nfs/dbraw/zinc/37/53/16/889375316.db2.gz NUZBACMYOVTOLZ-SBMIAAHKSA-N 0 3 271.317 -2.083 20 0 CAADHN CCn1ncc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001403837509 889375331 /nfs/dbraw/zinc/37/53/31/889375331.db2.gz HWKYPCPBIMOWLD-RKDXNWHRSA-N 0 3 298.347 -1.806 20 0 CAADHN Cc1cnccc1CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001403841367 889375413 /nfs/dbraw/zinc/37/54/13/889375413.db2.gz LEEKNOCZADADIS-GFCCVEGCSA-N 0 3 294.355 -1.173 20 0 CAADHN COc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)ncn1 ZINC001403845814 889375547 /nfs/dbraw/zinc/37/55/47/889375547.db2.gz RRGKFQQQFVLAPQ-QMMMGPOBSA-N 0 3 297.315 -2.007 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cn(C)cn1)C(N)=O ZINC001403839751 889376318 /nfs/dbraw/zinc/37/63/18/889376318.db2.gz LQAJEODWACXUJF-BDAKNGLRSA-N 0 3 283.332 -1.684 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001403847702 889376509 /nfs/dbraw/zinc/37/65/09/889376509.db2.gz UGOXDJLTASZXIA-DTWKUNHWSA-N 0 3 283.332 -1.386 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1ccnn1C)C(N)=O ZINC001403841441 889376627 /nfs/dbraw/zinc/37/66/27/889376627.db2.gz ZRLRFSRJRURGGA-UWVGGRQHSA-N 0 3 297.359 -1.294 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001403835826 889376696 /nfs/dbraw/zinc/37/66/96/889376696.db2.gz VPIJFWHTUDHGOP-ONGXEEELSA-N 0 3 297.359 -1.201 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cnco1)C(N)=O ZINC001403861498 889378430 /nfs/dbraw/zinc/37/84/30/889378430.db2.gz QSQSDFAPCYCVAV-BDAKNGLRSA-N 0 3 284.316 -1.039 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1csnn1)C(N)=O ZINC001403859331 889378496 /nfs/dbraw/zinc/37/84/96/889378496.db2.gz MWJDLOPOEFLJOV-RNFRBKRXSA-N 0 3 287.345 -1.566 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001403866378 889378520 /nfs/dbraw/zinc/37/85/20/889378520.db2.gz JBHKTVNFJKSIAX-SSDOTTSWSA-N 0 3 271.277 -2.162 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1csnn1)C(N)=O ZINC001403859333 889378725 /nfs/dbraw/zinc/37/87/25/889378725.db2.gz MWJDLOPOEFLJOV-RQJHMYQMSA-N 0 3 287.345 -1.566 20 0 CAADHN CCn1ccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001403867359 889378931 /nfs/dbraw/zinc/37/89/31/889378931.db2.gz HUWYDJNPBAVHKA-SECBINFHSA-N 0 3 283.332 -1.589 20 0 CAADHN Cc1conc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001403866314 889379377 /nfs/dbraw/zinc/37/93/77/889379377.db2.gz DJHOVTZHWOUBPT-RKDXNWHRSA-N 0 3 284.316 -1.121 20 0 CAADHN Cc1conc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001403866254 889379635 /nfs/dbraw/zinc/37/96/35/889379635.db2.gz DJHOVTZHWOUBPT-BDAKNGLRSA-N 0 3 284.316 -1.121 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001403862629 889379938 /nfs/dbraw/zinc/37/99/38/889379938.db2.gz AUDRMPFYGFOQIT-NXEZZACHSA-N 0 3 295.343 -1.750 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1cncn1C ZINC001403873876 889380265 /nfs/dbraw/zinc/38/02/65/889380265.db2.gz QDSWZTQIECJNER-LLVKDONJSA-N 0 3 297.359 -1.753 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001403853452 889380407 /nfs/dbraw/zinc/38/04/07/889380407.db2.gz HZHDDXGKOZHJEI-SNVBAGLBSA-N 0 3 297.359 -1.469 20 0 CAADHN CCCc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)[nH]n1 ZINC001403860804 889380622 /nfs/dbraw/zinc/38/06/22/889380622.db2.gz PJERVOVFZMOSTE-SNVBAGLBSA-N 0 3 297.359 -1.130 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1cccnc1 ZINC001403851440 889381115 /nfs/dbraw/zinc/38/11/15/889381115.db2.gz DWYWXGPJKJUZLU-GFCCVEGCSA-N 0 3 294.355 -1.092 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001403862625 889381631 /nfs/dbraw/zinc/38/16/31/889381631.db2.gz BTPYTYJUNCQKSA-ZETCQYMHSA-N 0 3 287.295 -1.683 20 0 CAADHN Cc1conc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001403866297 889381710 /nfs/dbraw/zinc/38/17/10/889381710.db2.gz DJHOVTZHWOUBPT-DTWKUNHWSA-N 0 3 284.316 -1.121 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cnco1)C(N)=O ZINC001403861505 889381914 /nfs/dbraw/zinc/38/19/14/889381914.db2.gz QSQSDFAPCYCVAV-IUCAKERBSA-N 0 3 284.316 -1.039 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1)C(N)=O ZINC001403885290 889382927 /nfs/dbraw/zinc/38/29/27/889382927.db2.gz XYKUTEYZHPCCIS-PSASIEDQSA-N 0 3 283.332 -1.765 20 0 CAADHN CCn1nc(C)c(C(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001403880292 889383562 /nfs/dbraw/zinc/38/35/62/889383562.db2.gz MCAAQZWZNLJSEI-SECBINFHSA-N 0 3 298.347 -1.886 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C)n1 ZINC001403878374 889383592 /nfs/dbraw/zinc/38/35/92/889383592.db2.gz RFHZQDRLPOGXCT-SNVBAGLBSA-N 0 3 297.359 -1.171 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1cn[nH]c1 ZINC001403885883 889383826 /nfs/dbraw/zinc/38/38/26/889383826.db2.gz ZPOMJUCNXKPITJ-JTQLQIEISA-N 0 3 283.332 -1.764 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001403886689 889384034 /nfs/dbraw/zinc/38/40/34/889384034.db2.gz VYFSAZPVNRNEIA-SNVBAGLBSA-N 0 3 297.359 -1.469 20 0 CAADHN CN(C[C@H](O)C[N@H+](C)CCO)C(=O)c1cnc[n-]c1=O ZINC001403899942 889384077 /nfs/dbraw/zinc/38/40/77/889384077.db2.gz GFOAPBOBJSCYRU-SECBINFHSA-N 0 3 284.316 -1.461 20 0 CAADHN CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1cnc[n-]c1=O ZINC001403899942 889384088 /nfs/dbraw/zinc/38/40/88/889384088.db2.gz GFOAPBOBJSCYRU-SECBINFHSA-N 0 3 284.316 -1.461 20 0 CAADHN COc1ncc(C(=O)N(C)C[C@@H](O)CN(C)CCO)cn1 ZINC001403892686 889384899 /nfs/dbraw/zinc/38/48/99/889384899.db2.gz ITTKGSNBEZTVKD-NSHDSACASA-N 0 3 298.343 -1.158 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)Cc1cnc[nH]1 ZINC001403884130 889385122 /nfs/dbraw/zinc/38/51/22/889385122.db2.gz VWOGEBJFABEZSM-MNOVXSKESA-N 0 3 295.343 -1.750 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001403902357 889385154 /nfs/dbraw/zinc/38/51/54/889385154.db2.gz UIKCNSDSHFYXJI-MNOVXSKESA-N 0 3 287.360 -1.792 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001403879680 889385670 /nfs/dbraw/zinc/38/56/70/889385670.db2.gz QACOJMFNYMUVOH-JTQLQIEISA-N 0 3 297.359 -1.551 20 0 CAADHN CN(CC(N)=O)C[C@@H](O)CN(C)C(=O)[C@H]1CCCN1C ZINC001403898339 889385872 /nfs/dbraw/zinc/38/58/72/889385872.db2.gz QLANZDYUHAOWSZ-GHMZBOCLSA-N 0 3 286.376 -1.683 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001403882819 889385899 /nfs/dbraw/zinc/38/58/99/889385899.db2.gz DCVORUZOLYNMPM-QMMMGPOBSA-N 0 3 274.346 -1.105 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001403879682 889386237 /nfs/dbraw/zinc/38/62/37/889386237.db2.gz QACOJMFNYMUVOH-SNVBAGLBSA-N 0 3 297.359 -1.551 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001403902352 889386398 /nfs/dbraw/zinc/38/63/98/889386398.db2.gz UIKCNSDSHFYXJI-GHMZBOCLSA-N 0 3 287.360 -1.792 20 0 CAADHN Cc1cnoc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001403883292 889386666 /nfs/dbraw/zinc/38/66/66/889386666.db2.gz UPKGRIWMUHJUKM-QMMMGPOBSA-N 0 3 270.289 -1.509 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001403906157 889390725 /nfs/dbraw/zinc/39/07/25/889390725.db2.gz LLCKPVWOLAHSSB-WDEREUQCSA-N 0 3 287.360 -1.602 20 0 CAADHN Cc1c(C(=O)N(C)C[C@H](O)CN(C)CCO)nnn1C ZINC001403919086 889393027 /nfs/dbraw/zinc/39/30/27/889393027.db2.gz UOAFICWEEIOVMA-SNVBAGLBSA-N 0 3 285.348 -1.519 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC[C@@H]1CCCN1CCO ZINC001404008455 889394382 /nfs/dbraw/zinc/39/43/82/889394382.db2.gz WHWSRQUTPAFARD-NSHDSACASA-N 0 3 284.360 -2.009 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001404024916 889395357 /nfs/dbraw/zinc/39/53/57/889395357.db2.gz OUHVFQKGGCSPHE-WOPDTQHZSA-N 0 3 299.371 -1.147 20 0 CAADHN CNC(=O)CN1CC[C@H](CNC(=O)CCc2cn[nH]n2)C1 ZINC001404082431 889396929 /nfs/dbraw/zinc/39/69/29/889396929.db2.gz OGSNHXHLCGGHCY-SNVBAGLBSA-N 0 3 294.359 -1.079 20 0 CAADHN CNC(=O)CN1CC[C@H](CNC(=O)CCc2c[nH]nn2)C1 ZINC001404082431 889396947 /nfs/dbraw/zinc/39/69/47/889396947.db2.gz OGSNHXHLCGGHCY-SNVBAGLBSA-N 0 3 294.359 -1.079 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001403990932 889397526 /nfs/dbraw/zinc/39/75/26/889397526.db2.gz OUHVFQKGGCSPHE-IJLUTSLNSA-N 0 3 299.371 -1.147 20 0 CAADHN CN(C)C(=O)CN1CC[C@H](CNC(=O)Cc2nc[nH]n2)C1 ZINC001404097262 889397925 /nfs/dbraw/zinc/39/79/25/889397925.db2.gz MZUSVOJOKZUREQ-SNVBAGLBSA-N 0 3 294.359 -1.127 20 0 CAADHN NC(=O)CN1CC[C@H](CNC(=O)CCN2CCOCC2)C1 ZINC001404188943 889399829 /nfs/dbraw/zinc/39/98/29/889399829.db2.gz GRPINWAAAGQWAG-GFCCVEGCSA-N 0 3 298.387 -1.368 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001404299290 889400632 /nfs/dbraw/zinc/40/06/32/889400632.db2.gz LPLDBTOATJPOAW-ZETCQYMHSA-N 0 3 287.320 -2.246 20 0 CAADHN O=C(NCCN(CCO)C1CC1)[C@H]1CCS(=O)(=O)N1 ZINC001404293960 889401123 /nfs/dbraw/zinc/40/11/23/889401123.db2.gz HAVIFHHENJLQOE-SNVBAGLBSA-N 0 3 291.373 -1.749 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001404325542 889402978 /nfs/dbraw/zinc/40/29/78/889402978.db2.gz SOKPQKXDPHLWAN-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCOC1)C(=O)NC(N)=O ZINC001404320398 889403052 /nfs/dbraw/zinc/40/30/52/889403052.db2.gz JTQVBACPHBBZIC-BDAKNGLRSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)C(N)=O ZINC001404319853 889403354 /nfs/dbraw/zinc/40/33/54/889403354.db2.gz GSGALPXAMHUXCQ-SFYZADRCSA-N 0 3 292.361 -2.400 20 0 CAADHN C[C@H](CC(=O)N(C)CCN[C@H](C)C(N)=O)NC(N)=O ZINC001404332707 889403677 /nfs/dbraw/zinc/40/36/77/889403677.db2.gz WKULUXUIEDBGFW-HTQZYQBOSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@H](NCCN(C)C(=O)COCc1nncn1C)C(N)=O ZINC001404338234 889403790 /nfs/dbraw/zinc/40/37/90/889403790.db2.gz VEUQILZKWVBLND-VIFPVBQESA-N 0 3 298.347 -1.747 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cccc(=O)n1C ZINC001404334276 889404029 /nfs/dbraw/zinc/40/40/29/889404029.db2.gz WPCOYWIZOVIKEB-JTQLQIEISA-N 0 3 292.339 -1.065 20 0 CAADHN C[C@@H](CC(=O)N(C)CCN[C@@H](C)C(N)=O)NC(N)=O ZINC001404332718 889404167 /nfs/dbraw/zinc/40/41/67/889404167.db2.gz WKULUXUIEDBGFW-YUMQZZPRSA-N 0 3 273.337 -1.645 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001404318528 889404212 /nfs/dbraw/zinc/40/42/12/889404212.db2.gz MOTGJTGRLMDTGY-MRVPVSSYSA-N 0 3 281.316 -1.026 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CCNC1=O ZINC001404322135 889404474 /nfs/dbraw/zinc/40/44/74/889404474.db2.gz PZZMTUQPCUOLEE-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001404318548 889404542 /nfs/dbraw/zinc/40/45/42/889404542.db2.gz MOTGJTGRLMDTGY-QMMMGPOBSA-N 0 3 281.316 -1.026 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2CCC(=O)N2)C1=O ZINC001404309315 889404895 /nfs/dbraw/zinc/40/48/95/889404895.db2.gz CVZCEWTWVJZZNQ-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001404328092 889404906 /nfs/dbraw/zinc/40/49/06/889404906.db2.gz TUOKVVRCRHZGFJ-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)NCCC(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001404311995 889405105 /nfs/dbraw/zinc/40/51/05/889405105.db2.gz FALOYDASOLGLQV-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCOC1)C(=O)NC(N)=O ZINC001404320422 889405136 /nfs/dbraw/zinc/40/51/36/889405136.db2.gz JTQVBACPHBBZIC-RKDXNWHRSA-N 0 3 286.332 -1.346 20 0 CAADHN CNC(=O)NCCC(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001404311986 889405344 /nfs/dbraw/zinc/40/53/44/889405344.db2.gz FALOYDASOLGLQV-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)COC ZINC001404304635 889405416 /nfs/dbraw/zinc/40/54/16/889405416.db2.gz RJASVYQVEJEJJR-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccc2nnnn2c1)C(N)=O ZINC001404319443 889405432 /nfs/dbraw/zinc/40/54/32/889405432.db2.gz NBJFLHPURKBAJH-QMMMGPOBSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)NC(N)=O ZINC001404429161 889405700 /nfs/dbraw/zinc/40/57/00/889405700.db2.gz BCFHXXKQVUIGOX-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001404582572 889407676 /nfs/dbraw/zinc/40/76/76/889407676.db2.gz CUKZUVPKZHWOGN-ZJUUUORDSA-N 0 3 299.375 -1.301 20 0 CAADHN C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001404582562 889408541 /nfs/dbraw/zinc/40/85/41/889408541.db2.gz CUKZUVPKZHWOGN-UWVGGRQHSA-N 0 3 299.375 -1.301 20 0 CAADHN C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001404582568 889409477 /nfs/dbraw/zinc/40/94/77/889409477.db2.gz CUKZUVPKZHWOGN-VHSXEESVSA-N 0 3 299.375 -1.301 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001404906417 889420461 /nfs/dbraw/zinc/42/04/61/889420461.db2.gz MLJUBEBYFQSQRW-SNVBAGLBSA-N 0 3 298.343 -1.205 20 0 CAADHN CN1CCN(CC(=O)NCC2CN(CCCO)C2)CC1=O ZINC001404896786 889421114 /nfs/dbraw/zinc/42/11/14/889421114.db2.gz ZWFWVQCOWNGLTO-UHFFFAOYSA-N 0 3 298.387 -1.809 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001404886232 889421951 /nfs/dbraw/zinc/42/19/51/889421951.db2.gz ITFGFXUKJOFMMM-NWDGAFQWSA-N 0 3 299.371 -1.432 20 0 CAADHN COC[C@H](C)N1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001404906039 889422712 /nfs/dbraw/zinc/42/27/12/889422712.db2.gz WHXHNYDHIFBNFN-NSHDSACASA-N 0 3 298.387 -1.499 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001405049950 889424545 /nfs/dbraw/zinc/42/45/45/889424545.db2.gz CMFXQKUTEDNHGQ-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001405053293 889424616 /nfs/dbraw/zinc/42/46/16/889424616.db2.gz SHVBNFNGIJCPGS-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001404984710 889425423 /nfs/dbraw/zinc/42/54/23/889425423.db2.gz DJQCLKACWIEAFD-USWWRNFRSA-N 0 3 287.360 -1.291 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001405100092 889427585 /nfs/dbraw/zinc/42/75/85/889427585.db2.gz MTAJLEAAHORKKY-GRYCIOLGSA-N 0 3 299.371 -1.195 20 0 CAADHN CN(C(=O)COCc1nncn1C)[C@H]1CCN(CCO)C1 ZINC001405125605 889428645 /nfs/dbraw/zinc/42/86/45/889428645.db2.gz RYGXKXVIWQJFMF-NSHDSACASA-N 0 3 297.359 -1.143 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)CNC(C)=O)C1 ZINC001405091525 889429039 /nfs/dbraw/zinc/42/90/39/889429039.db2.gz BBJYOJSFJILYEA-NWDGAFQWSA-N 0 3 287.360 -1.338 20 0 CAADHN CCN(C(=O)Cc1ncn[nH]1)[C@H]1CCN(CC(N)=O)C1 ZINC001405174741 889429689 /nfs/dbraw/zinc/42/96/89/889429689.db2.gz MWFKRAWALMSFJJ-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CC[C@@H](CNC(=O)CNC(C)=O)N[C@H](C)C(=O)NC ZINC001405197167 889431696 /nfs/dbraw/zinc/43/16/96/889431696.db2.gz QMSXAAAETYWLDM-SCZZXKLOSA-N 0 3 272.349 -1.259 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCOC1)NCC(=O)NC(N)=O ZINC001405197557 889432374 /nfs/dbraw/zinc/43/23/74/889432374.db2.gz MBKFDVXLKRUMDP-RKDXNWHRSA-N 0 3 286.332 -1.298 20 0 CAADHN CC[C@H](CNC(=O)CNC(C)=O)N[C@H](C)C(=O)NC ZINC001405197161 889432481 /nfs/dbraw/zinc/43/24/81/889432481.db2.gz QMSXAAAETYWLDM-PSASIEDQSA-N 0 3 272.349 -1.259 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCOC1)NCC(=O)NC(N)=O ZINC001405197549 889432689 /nfs/dbraw/zinc/43/26/89/889432689.db2.gz MBKFDVXLKRUMDP-IUCAKERBSA-N 0 3 286.332 -1.298 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)C1CC1)N[C@H]1CCNC1=O ZINC001405203870 889434205 /nfs/dbraw/zinc/43/42/05/889434205.db2.gz NXIQNQJKJATVAG-MNOVXSKESA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@H](CNC(=O)C[C@@H]1COC(=O)C1)NCC(N)=O ZINC001405208358 889434582 /nfs/dbraw/zinc/43/45/82/889434582.db2.gz CTSCGYUZMOCCPA-DTWKUNHWSA-N 0 3 271.317 -1.091 20 0 CAADHN CC[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)NCC(N)=O ZINC001405208360 889434864 /nfs/dbraw/zinc/43/48/64/889434864.db2.gz CTSCGYUZMOCCPA-IUCAKERBSA-N 0 3 271.317 -1.091 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)N1CCC1 ZINC001405218820 889437893 /nfs/dbraw/zinc/43/78/93/889437893.db2.gz JMIZREKPLZWFDT-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)N(C)C ZINC001405223823 889437952 /nfs/dbraw/zinc/43/79/52/889437952.db2.gz MXFLBLJJZAJNFB-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN CC[C@H](CNC(=O)CN1CCCNC1=O)N[C@@H](C)C(N)=O ZINC001405266247 889443576 /nfs/dbraw/zinc/44/35/76/889443576.db2.gz MLWCWFARCBUZOU-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)N[C@H](C)C(=O)N(C)C ZINC001405275001 889444828 /nfs/dbraw/zinc/44/48/28/889444828.db2.gz DCZZXHXCLQJXSA-BDAKNGLRSA-N 0 3 297.363 -1.215 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)NCC(=O)N(C)C ZINC001405282300 889446433 /nfs/dbraw/zinc/44/64/33/889446433.db2.gz KJAGTCYGMGIQPG-QMMMGPOBSA-N 0 3 283.336 -1.604 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NC ZINC001405285678 889445820 /nfs/dbraw/zinc/44/58/20/889445820.db2.gz HPTQXZUQQBRUTE-JGVFFNPUSA-N 0 3 271.321 -2.102 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NC ZINC001405285681 889446369 /nfs/dbraw/zinc/44/63/69/889446369.db2.gz HPTQXZUQQBRUTE-SFYZADRCSA-N 0 3 271.321 -2.102 20 0 CAADHN CC[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)NCC(N)=O ZINC001405289608 889446868 /nfs/dbraw/zinc/44/68/68/889446868.db2.gz AIGOFSFQYVHODN-BDAKNGLRSA-N 0 3 270.333 -1.375 20 0 CAADHN CC[C@H](CNC(=O)C[C@H]1CCC(=O)N1)NCC(=O)NC ZINC001405302090 889446897 /nfs/dbraw/zinc/44/68/97/889446897.db2.gz QXPLWQTYYHVMJD-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](CO)NC(=O)c1cn[nH]c1 ZINC001405332712 889449443 /nfs/dbraw/zinc/44/94/43/889449443.db2.gz CYAPUROOKJUKTF-LLVKDONJSA-N 0 3 297.359 -1.042 20 0 CAADHN COCC(=O)N[C@H](CO)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001405330720 889450024 /nfs/dbraw/zinc/45/00/24/889450024.db2.gz BBIDLTCWMRHIGR-CMPLNLGQSA-N 0 3 289.376 -1.188 20 0 CAADHN CC[C@H](CNC(=O)Cn1cncn1)NCC(=O)N1CCC1 ZINC001405348959 889452136 /nfs/dbraw/zinc/45/21/36/889452136.db2.gz ZAOSGKJLPWMTPL-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CC[C@H](CNC(=O)CS(=O)(=O)CC)N[C@@H](C)C(N)=O ZINC001405375082 889452299 /nfs/dbraw/zinc/45/22/99/889452299.db2.gz RSFSTERMGSWZLH-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@H](CNC(=O)CS(=O)(=O)CC)N[C@H](C)C(N)=O ZINC001405375088 889452649 /nfs/dbraw/zinc/45/26/49/889452649.db2.gz RSFSTERMGSWZLH-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@H](CNC(=O)CCNC(N)=O)N[C@H]1CCNC1=O ZINC001405347893 889453883 /nfs/dbraw/zinc/45/38/83/889453883.db2.gz XEZNCSNFWPCWJR-BDAKNGLRSA-N 0 3 285.348 -1.582 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)Cn1cnnn1)C1CC1 ZINC001405430168 889455164 /nfs/dbraw/zinc/45/51/64/889455164.db2.gz VDMUWSPQGIMFNW-LLVKDONJSA-N 0 3 281.320 -1.967 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001405445233 889455186 /nfs/dbraw/zinc/45/51/86/889455186.db2.gz OBHDBYQJJSXAIM-RISCZKNCSA-N 0 3 298.387 -1.323 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001405470604 889455196 /nfs/dbraw/zinc/45/51/96/889455196.db2.gz IBSONBUJTJXFAR-OQPBUACISA-N 0 3 284.360 -1.142 20 0 CAADHN CNC(=O)CNCC1(NC(=O)Cn2ncnn2)CCCC1 ZINC001405384293 889455278 /nfs/dbraw/zinc/45/52/78/889455278.db2.gz BIWFMRDITWITFB-UHFFFAOYSA-N 0 3 295.347 -1.562 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001405445263 889455300 /nfs/dbraw/zinc/45/53/00/889455300.db2.gz OBHDBYQJJSXAIM-SMDDNHRTSA-N 0 3 298.387 -1.323 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001405445176 889455347 /nfs/dbraw/zinc/45/53/47/889455347.db2.gz OBHDBYQJJSXAIM-BXUZGUMPSA-N 0 3 298.387 -1.323 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1 ZINC001405445206 889456551 /nfs/dbraw/zinc/45/65/51/889456551.db2.gz OBHDBYQJJSXAIM-FZMZJTMJSA-N 0 3 298.387 -1.323 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001405596387 889461124 /nfs/dbraw/zinc/46/11/24/889461124.db2.gz MWDRDIKJMCUULB-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1cnc[n-]c1=O ZINC001405608810 889462045 /nfs/dbraw/zinc/46/20/45/889462045.db2.gz OKAZALAKXKEDOF-MRVPVSSYSA-N 0 3 279.300 -1.138 20 0 CAADHN C[C@@H](CNC(=O)CCc1nnc[n-]1)C[NH2+][C@@H](C)C(N)=O ZINC001405648635 889463881 /nfs/dbraw/zinc/46/38/81/889463881.db2.gz SKMFZWJONIWONI-BDAKNGLRSA-N 0 3 282.348 -1.047 20 0 CAADHN NC(=O)CNC1(CNC(=O)CCn2cnnn2)CCCC1 ZINC001405771628 889466655 /nfs/dbraw/zinc/46/66/55/889466655.db2.gz DENATZFWEMEAAS-UHFFFAOYSA-N 0 3 295.347 -1.433 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001405789031 889466829 /nfs/dbraw/zinc/46/68/29/889466829.db2.gz AILXYTIXVDWMMS-GHMZBOCLSA-N 0 3 286.376 -1.501 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)COC(C)C ZINC001406221663 889488767 /nfs/dbraw/zinc/48/87/67/889488767.db2.gz UNCBVBXBARQHAF-VHSXEESVSA-N 0 3 275.349 -1.387 20 0 CAADHN CC[C@H](NC[C@H](C)N(C)C(=O)CNC(C)=O)C(N)=O ZINC001405790349 889468007 /nfs/dbraw/zinc/46/80/07/889468007.db2.gz USEQGKXSIRRRDQ-WPRPVWTQSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001405789036 889468383 /nfs/dbraw/zinc/46/83/83/889468383.db2.gz AILXYTIXVDWMMS-MNOVXSKESA-N 0 3 286.376 -1.501 20 0 CAADHN CN1C[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)NC1=O ZINC001405758150 889468473 /nfs/dbraw/zinc/46/84/73/889468473.db2.gz FHYCSIMIDHVUNQ-VIFPVBQESA-N 0 3 297.359 -1.486 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCC1 ZINC001405782144 889469160 /nfs/dbraw/zinc/46/91/60/889469160.db2.gz DXKXSYOXQZCIMH-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccoc1CC(N)=O ZINC001405868235 889470224 /nfs/dbraw/zinc/47/02/24/889470224.db2.gz MNBPDVZYRHGXJF-QMMMGPOBSA-N 0 3 296.327 -1.157 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)COCc1nncn1C ZINC001405887717 889470260 /nfs/dbraw/zinc/47/02/60/889470260.db2.gz RSPZZQWCOAHVMZ-SECBINFHSA-N 0 3 298.347 -1.747 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001405823314 889470295 /nfs/dbraw/zinc/47/02/95/889470295.db2.gz XFVVRWHWCCWIEO-MRVPVSSYSA-N 0 3 294.377 -2.200 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001405828939 889470803 /nfs/dbraw/zinc/47/08/03/889470803.db2.gz MTVUEFSHWMKKIA-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@@H](NC[C@@H](C)N(C)C(=O)Cn1cncn1)C(N)=O ZINC001405893147 889470810 /nfs/dbraw/zinc/47/08/10/889470810.db2.gz JMLOGSVKCQJHQK-NXEZZACHSA-N 0 3 282.348 -1.022 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001405828934 889470909 /nfs/dbraw/zinc/47/09/09/889470909.db2.gz MTVUEFSHWMKKIA-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001405863220 889471002 /nfs/dbraw/zinc/47/10/02/889471002.db2.gz TUPRJPBGIAULSH-REIXXSIJSA-N 0 3 298.343 -1.490 20 0 CAADHN Cc1nc(C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O)c[nH]1 ZINC001405798517 889471010 /nfs/dbraw/zinc/47/10/10/889471010.db2.gz QHLFWZQKVCLDDH-ZETCQYMHSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cc1ncc[nH]1 ZINC001405875505 889471089 /nfs/dbraw/zinc/47/10/89/889471089.db2.gz UZUZYQQXMJBMNN-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)c1cnn(C)n1 ZINC001405875259 889471146 /nfs/dbraw/zinc/47/11/46/889471146.db2.gz OAMKCBJTNDJVPH-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CN1CCCC1=O ZINC001405806621 889471156 /nfs/dbraw/zinc/47/11/56/889471156.db2.gz WQLWZYWCMQEEDC-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@@H](C)CN[C@@H]1CCNC1=O ZINC001405809629 889471174 /nfs/dbraw/zinc/47/11/74/889471174.db2.gz QWVGGZDMZRFPKO-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)COCc1nccn1C ZINC001405834227 889471569 /nfs/dbraw/zinc/47/15/69/889471569.db2.gz SDSJRKOVUQFFRF-SNVBAGLBSA-N 0 3 297.359 -1.142 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)Cn1cnnn1 ZINC001405800006 889472020 /nfs/dbraw/zinc/47/20/20/889472020.db2.gz QCZYDYHDIDWMAD-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)COCc1nccn1C ZINC001405834224 889472074 /nfs/dbraw/zinc/47/20/74/889472074.db2.gz SDSJRKOVUQFFRF-JTQLQIEISA-N 0 3 297.359 -1.142 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)c1ncn(C)n1 ZINC001405800546 889472128 /nfs/dbraw/zinc/47/21/28/889472128.db2.gz CCUDVOHJUCALCJ-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1cnnn1C ZINC001405812668 889472453 /nfs/dbraw/zinc/47/24/53/889472453.db2.gz OXLHUIATUCQTJK-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)Cn1cnnn1 ZINC001405808809 889472338 /nfs/dbraw/zinc/47/23/38/889472338.db2.gz YQLJMKOLWBENLW-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(N)=O ZINC001406044800 889474460 /nfs/dbraw/zinc/47/44/60/889474460.db2.gz MLSVNWMNKAGVQK-NXEZZACHSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)CN1CCOCC1=O ZINC001406106786 889475034 /nfs/dbraw/zinc/47/50/34/889475034.db2.gz BMJBIOKRKZDIKW-NSHDSACASA-N 0 3 287.360 -1.384 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(N)=O ZINC001406042386 889475488 /nfs/dbraw/zinc/47/54/88/889475488.db2.gz JPKYEQCGCIMDIH-VGMNWLOBSA-N 0 3 270.333 -1.677 20 0 CAADHN CC(C)[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)NCC(N)=O ZINC001406022251 889475932 /nfs/dbraw/zinc/47/59/32/889475932.db2.gz SNTYRISFGWQSBZ-RKDXNWHRSA-N 0 3 287.364 -1.351 20 0 CAADHN O=C(CCn1cncn1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001406182453 889477416 /nfs/dbraw/zinc/47/74/16/889477416.db2.gz DCFVUUZYIUFQIQ-NXEZZACHSA-N 0 3 296.331 -2.377 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@@H](C)c1n[nH]c(C)n1 ZINC001406187518 889477892 /nfs/dbraw/zinc/47/78/92/889477892.db2.gz IGMGZMSCHBBVNA-CBAPKCEASA-N 0 3 271.321 -1.113 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001406188224 889477909 /nfs/dbraw/zinc/47/79/09/889477909.db2.gz LUUJJYDOIDAUOD-NXEZZACHSA-N 0 3 289.332 -2.395 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)on1 ZINC001406180657 889477980 /nfs/dbraw/zinc/47/79/80/889477980.db2.gz HDPGHDLBGBNUSG-YUMQZZPRSA-N 0 3 270.289 -1.463 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](O)CNCc1ccnn1C ZINC001406180122 889478008 /nfs/dbraw/zinc/47/80/08/889478008.db2.gz AQWFQGVVBFMYRA-GFCCVEGCSA-N 0 3 297.359 -1.535 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2ccc[nH]2)C1=O ZINC001406176847 889478040 /nfs/dbraw/zinc/47/80/40/889478040.db2.gz ALVNPXNORZNBJB-GXSJLCMTSA-N 0 3 280.328 -1.074 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)no1 ZINC001406182014 889478086 /nfs/dbraw/zinc/47/80/86/889478086.db2.gz BBYIBNYCFSZGRV-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C(F)F ZINC001406187119 889478203 /nfs/dbraw/zinc/47/82/03/889478203.db2.gz GMXSDUFTSLTQFB-ZCFIWIBFSA-N 0 3 296.274 -1.836 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001406134431 889478308 /nfs/dbraw/zinc/47/83/08/889478308.db2.gz XQRWKPBENRRGRM-JTQLQIEISA-N 0 3 298.343 -1.219 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)on1 ZINC001406180649 889478806 /nfs/dbraw/zinc/47/88/06/889478806.db2.gz HDPGHDLBGBNUSG-HTQZYQBOSA-N 0 3 270.289 -1.463 20 0 CAADHN CCC(=O)NC[C@H](O)CNCC(=O)N1CCO[C@H](C)C1 ZINC001406187507 889478895 /nfs/dbraw/zinc/47/88/95/889478895.db2.gz IFKDPHDXMRARIL-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cc(C)no1 ZINC001406182350 889478942 /nfs/dbraw/zinc/47/89/42/889478942.db2.gz ITSIKDHVIMIPKE-RKDXNWHRSA-N 0 3 284.316 -1.202 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)on1 ZINC001406180652 889479213 /nfs/dbraw/zinc/47/92/13/889479213.db2.gz HDPGHDLBGBNUSG-JGVFFNPUSA-N 0 3 270.289 -1.463 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnn(C)c1C)C(N)=O ZINC001406178015 889479568 /nfs/dbraw/zinc/47/95/68/889479568.db2.gz CRWBCFOYCBFIDH-MWLCHTKSSA-N 0 3 297.359 -1.327 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cnccn1 ZINC001406181910 889479618 /nfs/dbraw/zinc/47/96/18/889479618.db2.gz BLAORQKFGQMIRM-JTQLQIEISA-N 0 3 295.343 -1.317 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001406188230 889479723 /nfs/dbraw/zinc/47/97/23/889479723.db2.gz LUUJJYDOIDAUOD-VHSXEESVSA-N 0 3 289.332 -2.395 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1CC1)NC[C@H]1CCOC1 ZINC001406189473 889479802 /nfs/dbraw/zinc/47/98/02/889479802.db2.gz IORPCPAXKBAASQ-ZYHUDNBSSA-N 0 3 299.371 -1.384 20 0 CAADHN CC(=O)CCCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001406178128 889479832 /nfs/dbraw/zinc/47/98/32/889479832.db2.gz DMJJFANYQNEOEC-WDEREUQCSA-N 0 3 285.344 -1.299 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1CC1)NC[C@@H]1CCOC1 ZINC001406189463 889479883 /nfs/dbraw/zinc/47/98/83/889479883.db2.gz IORPCPAXKBAASQ-JQWIXIFHSA-N 0 3 299.371 -1.384 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnn(C)c1N ZINC001406197473 889480963 /nfs/dbraw/zinc/48/09/63/889480963.db2.gz AHHCELBFVAOKBV-SFYZADRCSA-N 0 3 298.347 -2.183 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C)no1 ZINC001406194286 889481016 /nfs/dbraw/zinc/48/10/16/889481016.db2.gz ZKZCNFFAELKUSL-MRVPVSSYSA-N 0 3 270.289 -1.591 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)CN(C)C(C)=O ZINC001406192650 889481068 /nfs/dbraw/zinc/48/10/68/889481068.db2.gz QFYGOZQUAFSFOD-SNVBAGLBSA-N 0 3 288.348 -2.333 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ncoc1C ZINC001406201299 889481304 /nfs/dbraw/zinc/48/13/04/889481304.db2.gz CTRZIUHAIDYWJY-MRVPVSSYSA-N 0 3 270.289 -1.591 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)[nH]1 ZINC001406203331 889481788 /nfs/dbraw/zinc/48/17/88/889481788.db2.gz FAUINLZCCXQRFK-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnc(C)[nH]1)C(N)=O ZINC001406201964 889482119 /nfs/dbraw/zinc/48/21/19/889482119.db2.gz CULUCVFDCONIFW-DTWKUNHWSA-N 0 3 283.332 -1.338 20 0 CAADHN C[C@H](C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)C1CC1 ZINC001406198425 889482214 /nfs/dbraw/zinc/48/22/14/889482214.db2.gz BACSSNVFQOMCJF-IONNQARKSA-N 0 3 286.332 -1.706 20 0 CAADHN C[C@H](C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)C1CC1 ZINC001406198414 889482412 /nfs/dbraw/zinc/48/24/12/889482412.db2.gz BACSSNVFQOMCJF-CBAPKCEASA-N 0 3 286.332 -1.706 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)c1 ZINC001406198860 889482454 /nfs/dbraw/zinc/48/24/54/889482454.db2.gz CRBBHOHLEBGRNP-RKDXNWHRSA-N 0 3 281.316 -2.011 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnc(C)[nH]1)C(N)=O ZINC001406202035 889482471 /nfs/dbraw/zinc/48/24/71/889482471.db2.gz CULUCVFDCONIFW-RKDXNWHRSA-N 0 3 283.332 -1.338 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cocn1)NC1CC1 ZINC001406203856 889482555 /nfs/dbraw/zinc/48/25/55/889482555.db2.gz GARUXRIIRGPAON-SECBINFHSA-N 0 3 282.300 -1.367 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)c1 ZINC001406201381 889482763 /nfs/dbraw/zinc/48/27/63/889482763.db2.gz BYSDNOIXNOMNKR-NWDGAFQWSA-N 0 3 294.355 -1.016 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C(F)F)C(=O)NC1CC1 ZINC001406203909 889482814 /nfs/dbraw/zinc/48/28/14/889482814.db2.gz RZULRZKSFONFMW-HTRCEHHLSA-N 0 3 279.287 -1.015 20 0 CAADHN Cc1[nH]ccc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001406198770 889482909 /nfs/dbraw/zinc/48/29/09/889482909.db2.gz CMHSRWFIFGGYAB-GXSJLCMTSA-N 0 3 280.328 -1.108 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CC1OCCCO1)C(N)=O ZINC001406203538 889483138 /nfs/dbraw/zinc/48/31/38/889483138.db2.gz GYOCEEIQNMRWQD-IUCAKERBSA-N 0 3 289.332 -1.920 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001406203121 889483313 /nfs/dbraw/zinc/48/33/13/889483313.db2.gz SSJIMOBNLRMDFC-HTQZYQBOSA-N 0 3 285.308 -3.126 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)C1CC1 ZINC001406198403 889483449 /nfs/dbraw/zinc/48/34/49/889483449.db2.gz BACSSNVFQOMCJF-APPZFPTMSA-N 0 3 286.332 -1.706 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(C)no1 ZINC001406194291 889483461 /nfs/dbraw/zinc/48/34/61/889483461.db2.gz ZKZCNFFAELKUSL-QMMMGPOBSA-N 0 3 270.289 -1.591 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccc(F)cn1 ZINC001406208417 889484896 /nfs/dbraw/zinc/48/48/96/889484896.db2.gz KEOTXLLEQMLOOK-GXSJLCMTSA-N 0 3 296.302 -1.211 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001406212611 889485178 /nfs/dbraw/zinc/48/51/78/889485178.db2.gz MNRCWOUFADGFMO-LLVKDONJSA-N 0 3 285.344 -1.464 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)nn1 ZINC001406205216 889485189 /nfs/dbraw/zinc/48/51/89/889485189.db2.gz AJSYCESAQAEIRI-ZETCQYMHSA-N 0 3 270.293 -2.759 20 0 CAADHN Cc1cc[nH]c1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001406209443 889485384 /nfs/dbraw/zinc/48/53/84/889485384.db2.gz HWFLRSWIDOAZKJ-UWVGGRQHSA-N 0 3 280.328 -1.108 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001406204485 889485476 /nfs/dbraw/zinc/48/54/76/889485476.db2.gz GKBBUPBWRNGYQV-NSHDSACASA-N 0 3 297.359 -1.487 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)n1 ZINC001406213325 889485616 /nfs/dbraw/zinc/48/56/16/889485616.db2.gz FRKYCYCOICPHRA-VIFPVBQESA-N 0 3 296.331 -2.272 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1CN(C(C)=O)C1 ZINC001406208404 889486221 /nfs/dbraw/zinc/48/62/21/889486221.db2.gz KDENKSFXDBMFMI-JTQLQIEISA-N 0 3 286.332 -2.723 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1ccon1 ZINC001406212692 889486243 /nfs/dbraw/zinc/48/62/43/889486243.db2.gz KTNZGXZHDXVOFW-RKDXNWHRSA-N 0 3 282.300 -1.367 20 0 CAADHN Cc1cc[nH]c1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001406209478 889486360 /nfs/dbraw/zinc/48/63/60/889486360.db2.gz HWFLRSWIDOAZKJ-ZJUUUORDSA-N 0 3 280.328 -1.108 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001406204473 889486447 /nfs/dbraw/zinc/48/64/47/889486447.db2.gz GKBBUPBWRNGYQV-LLVKDONJSA-N 0 3 297.359 -1.487 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)COC ZINC001406213493 889486848 /nfs/dbraw/zinc/48/68/48/889486848.db2.gz XIRNYWZSUWPPOQ-ZETCQYMHSA-N 0 3 276.293 -2.845 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)C1=CCOCC1 ZINC001406217650 889488268 /nfs/dbraw/zinc/48/82/68/889488268.db2.gz PRSZOWWGCXXBAU-GHMZBOCLSA-N 0 3 283.328 -1.712 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnnn1C ZINC001406218610 889488311 /nfs/dbraw/zinc/48/83/11/889488311.db2.gz PSBWEYXULHURGU-MRVPVSSYSA-N 0 3 284.320 -2.416 20 0 CAADHN O=C(NC[C@H](O)CNCc1cccnc1)[C@H]1COC(=O)N1 ZINC001406219583 889488372 /nfs/dbraw/zinc/48/83/72/889488372.db2.gz RBKYFJVGVZMSKJ-GHMZBOCLSA-N 0 3 294.311 -1.243 20 0 CAADHN CN1CCC[C@H](NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1=O ZINC001406218176 889488577 /nfs/dbraw/zinc/48/85/77/889488577.db2.gz MYLXXROITLERGF-KOLCDFICSA-N 0 3 295.343 -1.289 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CC1(O)CCC1 ZINC001406220393 889488914 /nfs/dbraw/zinc/48/89/14/889488914.db2.gz LQSYGXIJKPPJDL-VIFPVBQESA-N 0 3 273.333 -1.896 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cccnc1)[C@H]1COC(=O)N1 ZINC001406219592 889488984 /nfs/dbraw/zinc/48/89/84/889488984.db2.gz RBKYFJVGVZMSKJ-WDEREUQCSA-N 0 3 294.311 -1.243 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cncnc1 ZINC001406220784 889489142 /nfs/dbraw/zinc/48/91/42/889489142.db2.gz SHZAQDQTIRBTII-NSHDSACASA-N 0 3 295.343 -1.319 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)c1 ZINC001406222719 889489255 /nfs/dbraw/zinc/48/92/55/889489255.db2.gz XXLVNEPDBSDSEO-UWVGGRQHSA-N 0 3 295.343 -1.621 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C1CC1 ZINC001406216447 889489296 /nfs/dbraw/zinc/48/92/96/889489296.db2.gz PKKLAVOIRVOXSI-ONGXEEELSA-N 0 3 287.360 -1.291 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)C1=CCOCC1 ZINC001406217662 889489421 /nfs/dbraw/zinc/48/94/21/889489421.db2.gz PRSZOWWGCXXBAU-WDEREUQCSA-N 0 3 283.328 -1.712 20 0 CAADHN CN1CCC[C@@H](NC[C@H](O)CNC(=O)c2ccn[nH]2)C1=O ZINC001406218166 889489434 /nfs/dbraw/zinc/48/94/34/889489434.db2.gz MYLXXROITLERGF-GXSJLCMTSA-N 0 3 295.343 -1.289 20 0 CAADHN CCn1ccnc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001406218125 889489462 /nfs/dbraw/zinc/48/94/62/889489462.db2.gz OQZCGTNFHVQPCF-IUCAKERBSA-N 0 3 283.332 -1.543 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)nnn1C ZINC001406224025 889489745 /nfs/dbraw/zinc/48/97/45/889489745.db2.gz ZMYHRZMIHIRVSQ-HTRCEHHLSA-N 0 3 284.320 -2.322 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ncc[nH]1)NCC1CC1 ZINC001406217410 889489825 /nfs/dbraw/zinc/48/98/25/889489825.db2.gz JQOIFZXSAJKQFK-JTQLQIEISA-N 0 3 295.343 -1.384 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)nnn1C ZINC001406224026 889489882 /nfs/dbraw/zinc/48/98/82/889489882.db2.gz ZMYHRZMIHIRVSQ-POYBYMJQSA-N 0 3 284.320 -2.322 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)nnn1C ZINC001406224027 889489979 /nfs/dbraw/zinc/48/99/79/889489979.db2.gz ZMYHRZMIHIRVSQ-SVRRBLITSA-N 0 3 284.320 -2.322 20 0 CAADHN O=C(Cc1ccon1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001406221035 889490042 /nfs/dbraw/zinc/49/00/42/889490042.db2.gz OVPJPCOYWKURCC-VHSXEESVSA-N 0 3 282.300 -1.828 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccc(F)cn1)C(N)=O ZINC001406217331 889490240 /nfs/dbraw/zinc/49/02/40/889490240.db2.gz PIEAATDBQJAWPE-IONNQARKSA-N 0 3 284.291 -1.225 20 0 CAADHN CO[C@@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C)C1CC1 ZINC001406226272 889491187 /nfs/dbraw/zinc/49/11/87/889491187.db2.gz ZJVWPTCCUFOCOO-ZYHUDNBSSA-N 0 3 287.360 -1.434 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001406227990 889491206 /nfs/dbraw/zinc/49/12/06/889491206.db2.gz WVAIDDJVDUSYFI-SNVBAGLBSA-N 0 3 283.332 -1.384 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)[nH]1 ZINC001406227454 889491687 /nfs/dbraw/zinc/49/16/87/889491687.db2.gz YCEUQOPGQDBPFT-NXEZZACHSA-N 0 3 295.343 -1.371 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cncnc2)n[nH]1 ZINC001406226755 889492249 /nfs/dbraw/zinc/49/22/49/889492249.db2.gz ZRQDLTOGPDUDAW-SNVBAGLBSA-N 0 3 291.315 -1.216 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)[nH]1 ZINC001406227466 889492373 /nfs/dbraw/zinc/49/23/73/889492373.db2.gz YCEUQOPGQDBPFT-VHSXEESVSA-N 0 3 295.343 -1.371 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cn(C)nc1C ZINC001406227323 889492545 /nfs/dbraw/zinc/49/25/45/889492545.db2.gz XRNAYOKWHQOJSH-NXEZZACHSA-N 0 3 297.359 -1.457 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)COC1CCCC1 ZINC001406229944 889492956 /nfs/dbraw/zinc/49/29/56/889492956.db2.gz YXBVLXLNRZVIHB-SECBINFHSA-N 0 3 273.333 -1.502 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cncnc2)n[nH]1 ZINC001406226754 889493227 /nfs/dbraw/zinc/49/32/27/889493227.db2.gz ZRQDLTOGPDUDAW-JTQLQIEISA-N 0 3 291.315 -1.216 20 0 CAADHN Cc1[nH]nc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)c1C ZINC001406227298 889493247 /nfs/dbraw/zinc/49/32/47/889493247.db2.gz XNYJBCGUODMVOJ-SNVBAGLBSA-N 0 3 297.359 -1.205 20 0 CAADHN CN1CCC[C@H]1C(=O)NC[C@H](O)CNCc1ncnn1C ZINC001406228458 889493386 /nfs/dbraw/zinc/49/33/86/889493386.db2.gz ZIDXBFBRSLMNDT-MNOVXSKESA-N 0 3 296.375 -1.524 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@H](O)CNCc1cncn1C ZINC001406226411 889493494 /nfs/dbraw/zinc/49/34/94/889493494.db2.gz ZFBFSRZIWDNHBY-WCBMZHEXSA-N 0 3 298.347 -1.956 20 0 CAADHN COCc1ccccc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001406239145 889494694 /nfs/dbraw/zinc/49/46/94/889494694.db2.gz MECBCFVIPKDXKT-NSHDSACASA-N 0 3 295.339 -1.001 20 0 CAADHN Cn1nc(C(=O)NC[C@@H](O)CNCC(N)=O)cc1Cl ZINC001406240823 889494822 /nfs/dbraw/zinc/49/48/22/889494822.db2.gz LDOLYTXKOLQWLQ-LURJTMIESA-N 0 3 289.723 -1.761 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001406242164 889495274 /nfs/dbraw/zinc/49/52/74/889495274.db2.gz IMIQHLRLOJGMCZ-VIFPVBQESA-N 0 3 286.307 -1.078 20 0 CAADHN Cn1nc(C(=O)NC[C@H](O)CNCC(N)=O)cc1Cl ZINC001406240834 889495306 /nfs/dbraw/zinc/49/53/06/889495306.db2.gz LDOLYTXKOLQWLQ-ZCFIWIBFSA-N 0 3 289.723 -1.761 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1cccnc1 ZINC001406246942 889495640 /nfs/dbraw/zinc/49/56/40/889495640.db2.gz UTPCNXOCTQNGPW-LLVKDONJSA-N 0 3 280.328 -1.434 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1ccnn1C)C(N)=O ZINC001406244612 889495933 /nfs/dbraw/zinc/49/59/33/889495933.db2.gz YTMFGYBGKGYEBT-MWLCHTKSSA-N 0 3 297.359 -1.707 20 0 CAADHN COC1CC(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)C1 ZINC001406245499 889495967 /nfs/dbraw/zinc/49/59/67/889495967.db2.gz MECUORNSKRWJHC-MOENNCHZSA-N 0 3 299.371 -1.290 20 0 CAADHN Cc1ncc(CC(=O)NC[C@H](O)CN[C@H]2CCNC2=O)o1 ZINC001406241705 889496058 /nfs/dbraw/zinc/49/60/58/889496058.db2.gz NZFFVTPFZJZPRL-KOLCDFICSA-N 0 3 296.327 -1.519 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1ccncc1)C(N)=O ZINC001406242687 889496178 /nfs/dbraw/zinc/49/61/78/889496178.db2.gz CVMHNLZRWYJGFO-JQWIXIFHSA-N 0 3 294.355 -1.045 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1ccnn1C)C(N)=O ZINC001406244607 889496297 /nfs/dbraw/zinc/49/62/97/889496297.db2.gz YTMFGYBGKGYEBT-KOLCDFICSA-N 0 3 297.359 -1.707 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cnco1 ZINC001406240692 889496480 /nfs/dbraw/zinc/49/64/80/889496480.db2.gz DKBOTAKLLKRTIW-VIFPVBQESA-N 0 3 284.316 -1.121 20 0 CAADHN CCc1nnsc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001406249751 889497606 /nfs/dbraw/zinc/49/76/06/889497606.db2.gz YBGQAXZZDCFCMS-ZCFIWIBFSA-N 0 3 287.345 -1.734 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cnco2)C1=O ZINC001406248218 889497736 /nfs/dbraw/zinc/49/77/36/889497736.db2.gz MVJBIHXLPVXYFV-NXEZZACHSA-N 0 3 296.327 -1.024 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001406251846 889497862 /nfs/dbraw/zinc/49/78/62/889497862.db2.gz JSQPUELFGNJKIL-DTWKUNHWSA-N 0 3 286.332 -2.545 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C(C)C)cn1 ZINC001406250154 889498015 /nfs/dbraw/zinc/49/80/15/889498015.db2.gz IDQMMZXYMLRSCH-SNVBAGLBSA-N 0 3 297.359 -1.110 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1cnco1 ZINC001406247715 889498077 /nfs/dbraw/zinc/49/80/77/889498077.db2.gz MIZBUSQOAVXICQ-RKDXNWHRSA-N 0 3 282.300 -1.367 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1nccn1C ZINC001406258420 889498155 /nfs/dbraw/zinc/49/81/55/889498155.db2.gz SJOAAXFVOCIWPO-JTQLQIEISA-N 0 3 297.359 -1.835 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001406259352 889498167 /nfs/dbraw/zinc/49/81/67/889498167.db2.gz IEFXDLWLXUHXLN-HTQZYQBOSA-N 0 3 272.305 -2.841 20 0 CAADHN Cn1ncc(CCC(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001406260758 889498312 /nfs/dbraw/zinc/49/83/12/889498312.db2.gz MQLDTHPFOITGIA-VIFPVBQESA-N 0 3 284.320 -2.700 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1csc(=O)[nH]1 ZINC001406253444 889498337 /nfs/dbraw/zinc/49/83/37/889498337.db2.gz KTHUJRYTBPCTPC-RXMQYKEDSA-N 0 3 274.302 -1.986 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)Cc1cnoc1 ZINC001406257802 889498348 /nfs/dbraw/zinc/49/83/48/889498348.db2.gz GHSRHNIFJSUUDN-LLVKDONJSA-N 0 3 298.343 -1.192 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)[nH]c1=O ZINC001406259172 889498680 /nfs/dbraw/zinc/49/86/80/889498680.db2.gz PEUSUFUNVVKOEL-YUMQZZPRSA-N 0 3 297.315 -2.306 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1n[nH]cc1F ZINC001406258002 889499014 /nfs/dbraw/zinc/49/90/14/889499014.db2.gz LFZHTFLRNHCXKV-NKWVEPMBSA-N 0 3 287.295 -1.636 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1cncs1 ZINC001406257834 889499567 /nfs/dbraw/zinc/49/95/67/889499567.db2.gz YXTMADIZLWFUIJ-ZETCQYMHSA-N 0 3 272.330 -1.762 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001406251844 889499879 /nfs/dbraw/zinc/49/98/79/889499879.db2.gz JSQPUELFGNJKIL-BDAKNGLRSA-N 0 3 286.332 -2.545 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1nccc2occc21 ZINC001406260721 889499896 /nfs/dbraw/zinc/49/98/96/889499896.db2.gz XLYNPJUPVDIWBG-MRVPVSSYSA-N 0 3 292.295 -1.007 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CNC(=O)c2cnco2)C1=O ZINC001406248226 889499976 /nfs/dbraw/zinc/49/99/76/889499976.db2.gz MVJBIHXLPVXYFV-UWVGGRQHSA-N 0 3 296.327 -1.024 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001406260531 889500009 /nfs/dbraw/zinc/50/00/09/889500009.db2.gz XETXTYJWZOHICE-NXEZZACHSA-N 0 3 295.343 -2.003 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001406260632 889500057 /nfs/dbraw/zinc/50/00/57/889500057.db2.gz WGDOFLRCZKVVOG-ZCFIWIBFSA-N 0 3 271.281 -3.364 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)Cc2cnoc2)n[nH]1 ZINC001406268143 889500897 /nfs/dbraw/zinc/50/08/97/889500897.db2.gz ZFNAONNIZFJJNG-SNVBAGLBSA-N 0 3 294.315 -1.089 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001406265963 889500951 /nfs/dbraw/zinc/50/09/51/889500951.db2.gz JVSXPPMBLACWBY-UWVGGRQHSA-N 0 3 296.331 -2.332 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCc2cccnc21 ZINC001406261546 889501207 /nfs/dbraw/zinc/50/12/07/889501207.db2.gz ABXKKDOUPIKCIP-MNOVXSKESA-N 0 3 292.339 -1.337 20 0 CAADHN CCCn1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001406270424 889501442 /nfs/dbraw/zinc/50/14/42/889501442.db2.gz RHUMMJNSPBYFOB-MWLCHTKSSA-N 0 3 297.359 -1.153 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001406265165 889502029 /nfs/dbraw/zinc/50/20/29/889502029.db2.gz CXJUZSQZJCKZNB-PSASIEDQSA-N 0 3 283.332 -1.847 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001406265975 889502095 /nfs/dbraw/zinc/50/20/95/889502095.db2.gz JVSXPPMBLACWBY-ZJUUUORDSA-N 0 3 296.331 -2.332 20 0 CAADHN CC(C)(C)n1cnc(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001406265384 889502207 /nfs/dbraw/zinc/50/22/07/889502207.db2.gz HQADPKLEIZFVNS-MRVPVSSYSA-N 0 3 298.347 -1.801 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)c(C)o1 ZINC001406270362 889502521 /nfs/dbraw/zinc/50/25/21/889502521.db2.gz BFNYEWJKSZARJK-UWVGGRQHSA-N 0 3 296.327 -1.140 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cn(CC)cn1)C(N)=O ZINC001406274171 889502675 /nfs/dbraw/zinc/50/26/75/889502675.db2.gz FKWOALQJKICMIO-VHSXEESVSA-N 0 3 297.359 -1.153 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)Cc2cnoc2)n[nH]1 ZINC001406268135 889502838 /nfs/dbraw/zinc/50/28/38/889502838.db2.gz ZFNAONNIZFJJNG-JTQLQIEISA-N 0 3 294.315 -1.089 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001406271860 889503033 /nfs/dbraw/zinc/50/30/33/889503033.db2.gz CQQPTSCJOLVKTE-NSHDSACASA-N 0 3 292.343 -1.047 20 0 CAADHN COc1cccc(C(=O)NC[C@H](O)CNCC(N)=O)c1F ZINC001406269898 889503170 /nfs/dbraw/zinc/50/31/70/889503170.db2.gz AUESGZCYDXWLLW-MRVPVSSYSA-N 0 3 299.302 -1.000 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001406265314 889503393 /nfs/dbraw/zinc/50/33/93/889503393.db2.gz YMURDJFKKWKOLH-AXFHLTTASA-N 0 3 295.343 -1.892 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1nonc1C ZINC001406268712 889503472 /nfs/dbraw/zinc/50/34/72/889503472.db2.gz AAYKTUULGWKTBN-BDAKNGLRSA-N 0 3 299.331 -1.878 20 0 CAADHN O=C(NC[C@H](O)CNCc1ccns1)[C@H]1CNC(=O)N1 ZINC001406265179 889503543 /nfs/dbraw/zinc/50/35/43/889503543.db2.gz IRICAEFYVXNFLG-VXNVDRBHSA-N 0 3 299.356 -1.609 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2ccnnc2)C1=O ZINC001406266200 889503566 /nfs/dbraw/zinc/50/35/66/889503566.db2.gz GHNMQWIYTIAAFD-WDEREUQCSA-N 0 3 293.327 -1.612 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2ccnnc2)C1=O ZINC001406266190 889503597 /nfs/dbraw/zinc/50/35/97/889503597.db2.gz GHNMQWIYTIAAFD-QWRGUYRKSA-N 0 3 293.327 -1.612 20 0 CAADHN CC(C)CNC(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001406271126 889503717 /nfs/dbraw/zinc/50/37/17/889503717.db2.gz HGHRFONGFHFFOQ-VIFPVBQESA-N 0 3 299.331 -1.478 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1nonc1C ZINC001406268719 889503748 /nfs/dbraw/zinc/50/37/48/889503748.db2.gz AAYKTUULGWKTBN-IUCAKERBSA-N 0 3 299.331 -1.878 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnc(C)n1C ZINC001406263931 889503979 /nfs/dbraw/zinc/50/39/79/889503979.db2.gz SMPYGCDOUKRWND-PSASIEDQSA-N 0 3 297.359 -1.457 20 0 CAADHN CC(C)(C)n1cnc(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001406265390 889504003 /nfs/dbraw/zinc/50/40/03/889504003.db2.gz HQADPKLEIZFVNS-QMMMGPOBSA-N 0 3 298.347 -1.801 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001406265168 889504243 /nfs/dbraw/zinc/50/42/43/889504243.db2.gz CXJUZSQZJCKZNB-WPRPVWTQSA-N 0 3 283.332 -1.847 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCC(=O)N1CCOCC1 ZINC001406261653 889504389 /nfs/dbraw/zinc/50/43/89/889504389.db2.gz YZIZKTMEXGIOHY-IJLUTSLNSA-N 0 3 299.371 -1.432 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)n1 ZINC001406288140 889505406 /nfs/dbraw/zinc/50/54/06/889505406.db2.gz MXAYPOQDLGYDLS-SNVBAGLBSA-N 0 3 295.343 -1.369 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cn2ccccc2n1 ZINC001406289423 889505645 /nfs/dbraw/zinc/50/56/45/889505645.db2.gz VJYHPVJOOKOTLN-SECBINFHSA-N 0 3 291.311 -1.500 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)n1 ZINC001406292152 889505662 /nfs/dbraw/zinc/50/56/62/889505662.db2.gz OORBOORJKDGJGI-KOLCDFICSA-N 0 3 295.343 -1.669 20 0 CAADHN CN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2nnc[n-]2)C1=O ZINC001406288754 889505794 /nfs/dbraw/zinc/50/57/94/889505794.db2.gz OQUFCACUXYVBDH-DTWKUNHWSA-N 0 3 296.331 -2.355 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)[C@@H]2CCC(=O)N2)n[nH]1 ZINC001406293736 889505954 /nfs/dbraw/zinc/50/59/54/889505954.db2.gz QSMLFAICTKTKDG-IUCAKERBSA-N 0 3 296.331 -2.042 20 0 CAADHN O=C(Cc1ccc[nH]1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001406274967 889506052 /nfs/dbraw/zinc/50/60/52/889506052.db2.gz DDVZUSPCZNZSHG-NEPJUHHUSA-N 0 3 294.355 -1.098 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1(C)CCOCC1)C(N)=O ZINC001406282684 889506703 /nfs/dbraw/zinc/50/67/03/889506703.db2.gz RIOZGTSCTRKEIK-ZJUUUORDSA-N 0 3 287.360 -1.256 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NC[C@H](O)CNCC(N)=O ZINC001406289522 889506773 /nfs/dbraw/zinc/50/67/73/889506773.db2.gz OLNQSFQIEBEISD-MRVPVSSYSA-N 0 3 295.361 -2.638 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCN1CCCC1=O ZINC001406282054 889506985 /nfs/dbraw/zinc/50/69/85/889506985.db2.gz IUBUCIHLQDJLFX-VIFPVBQESA-N 0 3 286.332 -2.449 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1cncn1C ZINC001406289408 889507074 /nfs/dbraw/zinc/50/70/74/889507074.db2.gz UZUUWNZVRUXBDK-NSHDSACASA-N 0 3 297.359 -1.883 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cn2ccccc2n1 ZINC001406289436 889507381 /nfs/dbraw/zinc/50/73/81/889507381.db2.gz VJYHPVJOOKOTLN-VIFPVBQESA-N 0 3 291.311 -1.500 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1occc1C ZINC001406275459 889507550 /nfs/dbraw/zinc/50/75/50/889507550.db2.gz REWIEAJOIIVIBP-SNVBAGLBSA-N 0 3 283.328 -1.057 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1(C)CCOCC1)C(N)=O ZINC001406282680 889507826 /nfs/dbraw/zinc/50/78/26/889507826.db2.gz RIOZGTSCTRKEIK-VHSXEESVSA-N 0 3 287.360 -1.256 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001406284370 889508002 /nfs/dbraw/zinc/50/80/02/889508002.db2.gz XAQXTSDDZICTDM-VIFPVBQESA-N 0 3 298.343 -1.562 20 0 CAADHN O=C(Cc1ccc[nH]1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001406274971 889508155 /nfs/dbraw/zinc/50/81/55/889508155.db2.gz DDVZUSPCZNZSHG-RYUDHWBXSA-N 0 3 294.355 -1.098 20 0 CAADHN O=C(Cc1ccc[nH]1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001406274972 889508323 /nfs/dbraw/zinc/50/83/23/889508323.db2.gz DDVZUSPCZNZSHG-VXGBXAGGSA-N 0 3 294.355 -1.098 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CN1CCNC(=O)C1 ZINC001406318273 889509294 /nfs/dbraw/zinc/50/92/94/889509294.db2.gz UJNSWNSAYRYKES-SNVBAGLBSA-N 0 3 299.375 -2.270 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001406333634 889509336 /nfs/dbraw/zinc/50/93/36/889509336.db2.gz XWLQOWFGZABDLE-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001406300988 889509628 /nfs/dbraw/zinc/50/96/28/889509628.db2.gz ZOLOOCQVVHZPFL-NSHDSACASA-N 0 3 297.359 -1.654 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CN1CCCC1=O ZINC001406334841 889509644 /nfs/dbraw/zinc/50/96/44/889509644.db2.gz WBLKCQGDOSITNL-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1COC(=O)N1 ZINC001406302490 889509759 /nfs/dbraw/zinc/50/97/59/889509759.db2.gz DQZLBLZEUSNGPB-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)c1nnn(C)n1 ZINC001406311046 889510187 /nfs/dbraw/zinc/51/01/87/889510187.db2.gz JHVVLBLIURMUIQ-SECBINFHSA-N 0 3 295.347 -1.508 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)[C@H]1COC(=O)N1)C(N)=O ZINC001406303816 889510421 /nfs/dbraw/zinc/51/04/21/889510421.db2.gz FSZAIRMFVZDPJN-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CN1CCNC(=O)C1 ZINC001406318170 889511052 /nfs/dbraw/zinc/51/10/52/889511052.db2.gz UJNSWNSAYRYKES-JTQLQIEISA-N 0 3 299.375 -2.270 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001406311668 889511214 /nfs/dbraw/zinc/51/12/14/889511214.db2.gz GTEJZCJKMUJASK-JTQLQIEISA-N 0 3 294.315 -1.008 20 0 CAADHN CCn1cccc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001406300343 889511267 /nfs/dbraw/zinc/51/12/67/889511267.db2.gz YASVULVIILOLJT-SNVBAGLBSA-N 0 3 282.344 -1.066 20 0 CAADHN CCO[C@@H](C)C(=O)N[C@H](C)CNCC(=O)NC(=O)NC ZINC001406336965 889511284 /nfs/dbraw/zinc/51/12/84/889511284.db2.gz CKJAFKHYJBZJFV-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN Cc1cnc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)cn1 ZINC001406334393 889511310 /nfs/dbraw/zinc/51/13/10/889511310.db2.gz QYRJWYPEMVQYBG-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)n(C)n1 ZINC001406297110 889511451 /nfs/dbraw/zinc/51/14/51/889511451.db2.gz WOEJBEUYQBPFQT-VIFPVBQESA-N 0 3 283.332 -1.852 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1nnn(C)c1C ZINC001406334069 889511494 /nfs/dbraw/zinc/51/14/94/889511494.db2.gz GJWBBEDCRLHRQL-HTQZYQBOSA-N 0 3 282.348 -1.034 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001406329241 889511508 /nfs/dbraw/zinc/51/15/08/889511508.db2.gz PKVIXHDDOKOERW-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H](C)CC(N)=O ZINC001406321157 889511523 /nfs/dbraw/zinc/51/15/23/889511523.db2.gz ZHCRFYMUGQNZFQ-IUCAKERBSA-N 0 3 272.349 -1.190 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1[nH]cnc1C ZINC001406329540 889511530 /nfs/dbraw/zinc/51/15/30/889511530.db2.gz YKEVPTGHQNFZAY-VIFPVBQESA-N 0 3 283.332 -1.465 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)CCNC(N)=O ZINC001406294864 889511564 /nfs/dbraw/zinc/51/15/64/889511564.db2.gz ZFIAQWFAYLIZJC-JTQLQIEISA-N 0 3 298.347 -1.955 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001406329248 889511639 /nfs/dbraw/zinc/51/16/39/889511639.db2.gz PKVIXHDDOKOERW-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001406313137 889511651 /nfs/dbraw/zinc/51/16/51/889511651.db2.gz IQJGLKOUHZPWHM-GFCCVEGCSA-N 0 3 292.343 -1.117 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001406333612 889511708 /nfs/dbraw/zinc/51/17/08/889511708.db2.gz XWLQOWFGZABDLE-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@H](C)NC(N)=O ZINC001406355427 889512736 /nfs/dbraw/zinc/51/27/36/889512736.db2.gz QWFRSJILDSQLIW-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)CC(C)(C)O ZINC001406356062 889512878 /nfs/dbraw/zinc/51/28/78/889512878.db2.gz BWAOYXOEWOLRPN-MRVPVSSYSA-N 0 3 288.348 -1.303 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)[C@H]1CNC(=O)N1 ZINC001406337221 889512995 /nfs/dbraw/zinc/51/29/95/889512995.db2.gz YPFAXNNLYXZMHJ-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN CO[C@@H](C)C(=O)N[C@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001406340802 889513188 /nfs/dbraw/zinc/51/31/88/889513188.db2.gz QWSWATQJNULBGE-PRJMDXOYSA-N 0 3 274.321 -1.301 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN(C)S(C)(=O)=O ZINC001406363424 889513227 /nfs/dbraw/zinc/51/32/27/889513227.db2.gz RAMLPHXSTAJYEB-SSDOTTSWSA-N 0 3 280.350 -2.543 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001406339352 889513306 /nfs/dbraw/zinc/51/33/06/889513306.db2.gz RQQZRSZKWRFJDM-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001406359409 889513577 /nfs/dbraw/zinc/51/35/77/889513577.db2.gz SFNCXRCLJQLUDE-RKDXNWHRSA-N 0 3 284.360 -1.307 20 0 CAADHN C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)CCc1nnc[n-]1 ZINC001406346154 889513645 /nfs/dbraw/zinc/51/36/45/889513645.db2.gz AGHGCUWVXSPHSV-RKDXNWHRSA-N 0 3 280.332 -1.280 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cnc2n1CCOC2 ZINC001406361548 889514062 /nfs/dbraw/zinc/51/40/62/889514062.db2.gz CTGNCQXPBCUIRR-SECBINFHSA-N 0 3 295.343 -1.133 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CN1CCOCC1 ZINC001406346820 889514326 /nfs/dbraw/zinc/51/43/26/889514326.db2.gz OWIBGSLOLGAJNV-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001406364499 889514343 /nfs/dbraw/zinc/51/43/43/889514343.db2.gz SEGJAMZOBDRZTH-MRVPVSSYSA-N 0 3 273.337 -1.902 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1ccc2nnnn2c1 ZINC001406365085 889514361 /nfs/dbraw/zinc/51/43/61/889514361.db2.gz FEKZQCNEEPJCSE-SSDOTTSWSA-N 0 3 277.288 -1.683 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cnc(N(C)C)cn1 ZINC001406359601 889514397 /nfs/dbraw/zinc/51/43/97/889514397.db2.gz GYEDBXFCDGNZTK-MRVPVSSYSA-N 0 3 280.332 -1.264 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)CNC(=O)NC ZINC001406358762 889514742 /nfs/dbraw/zinc/51/47/42/889514742.db2.gz DBUKCVDGDLELNH-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001406369241 889514901 /nfs/dbraw/zinc/51/49/01/889514901.db2.gz XBUKYARMERCDPU-BDAKNGLRSA-N 0 3 295.343 -1.248 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCOC1 ZINC001406337326 889515036 /nfs/dbraw/zinc/51/50/36/889515036.db2.gz HPKPRJXYMWKQAD-BDAKNGLRSA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)c1cnn(C)c1N ZINC001406346515 889515200 /nfs/dbraw/zinc/51/52/00/889515200.db2.gz MGDGNYQLNCZJQT-SCZZXKLOSA-N 0 3 294.359 -1.011 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001406385365 889516324 /nfs/dbraw/zinc/51/63/24/889516324.db2.gz IQVZOKOXKQDTPF-RNCFNFMXSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cn(C)ccc1=O ZINC001406384074 889516893 /nfs/dbraw/zinc/51/68/93/889516893.db2.gz NDISCUMLLFHCRV-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)c1 ZINC001406372323 889517022 /nfs/dbraw/zinc/51/70/22/889517022.db2.gz DWPDZRPKCAXBIP-KOLCDFICSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCc1cnn(C)n1 ZINC001406397239 889517173 /nfs/dbraw/zinc/51/71/73/889517173.db2.gz AHBMIPMNKZHGPM-BDAKNGLRSA-N 0 3 282.348 -1.284 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)c1nnn(C)n1 ZINC001406385884 889517241 /nfs/dbraw/zinc/51/72/41/889517241.db2.gz SBPYMRZRMIRCML-SECBINFHSA-N 0 3 295.347 -1.460 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cn2c(n1)COCC2 ZINC001406378344 889517385 /nfs/dbraw/zinc/51/73/85/889517385.db2.gz JDEWXCOMLDIXLJ-MRVPVSSYSA-N 0 3 281.316 -1.394 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001406381657 889517528 /nfs/dbraw/zinc/51/75/28/889517528.db2.gz FKDADARVNOJOLS-OPRDCNLKSA-N 0 3 284.360 -1.164 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001406379016 889517978 /nfs/dbraw/zinc/51/79/78/889517978.db2.gz LRWNCOUJZYGGLD-SECBINFHSA-N 0 3 285.348 -2.742 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CN1CCCCC1=O ZINC001406373025 889517999 /nfs/dbraw/zinc/51/79/99/889517999.db2.gz HDYQMSRMRZQYIL-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cnn(C)c1)C(=O)NC(N)=O ZINC001406446203 889519825 /nfs/dbraw/zinc/51/98/25/889519825.db2.gz CDIBABBYDZRLEA-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001406443966 889519926 /nfs/dbraw/zinc/51/99/26/889519926.db2.gz CDPUSDQDNXORLZ-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001406400378 889520142 /nfs/dbraw/zinc/52/01/42/889520142.db2.gz NIKSYQLLIYONSB-BBBLOLIVSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001406450328 889520319 /nfs/dbraw/zinc/52/03/19/889520319.db2.gz DROJBDSUGIUUNM-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1cnsn1 ZINC001406459112 889520444 /nfs/dbraw/zinc/52/04/44/889520444.db2.gz YQBAZGAUFZORAV-YFKPBYRVSA-N 0 3 286.317 -1.559 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1COCCO1 ZINC001406457158 889520516 /nfs/dbraw/zinc/52/05/16/889520516.db2.gz SYRKDIIWZSUQBC-JGVFFNPUSA-N 0 3 288.304 -2.309 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN[C@H](C)C(=O)N(C)C ZINC001406443960 889520535 /nfs/dbraw/zinc/52/05/35/889520535.db2.gz CDPUSDQDNXORLZ-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001406455896 889520847 /nfs/dbraw/zinc/52/08/47/889520847.db2.gz OGXKHNHKGSPJTE-XHNCKOQMSA-N 0 3 270.333 -1.377 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001406433958 889521093 /nfs/dbraw/zinc/52/10/93/889521093.db2.gz TYGPBNDMYBXKEM-RKDXNWHRSA-N 0 3 280.332 -1.580 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnns1 ZINC001406456667 889521223 /nfs/dbraw/zinc/52/12/23/889521223.db2.gz QVDLPRIFTLJAEU-LURJTMIESA-N 0 3 297.344 -1.132 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CCCC(N)=O ZINC001406432150 889521301 /nfs/dbraw/zinc/52/13/01/889521301.db2.gz LCZZOWJPTCVMET-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001406415491 889521431 /nfs/dbraw/zinc/52/14/31/889521431.db2.gz FRFIHQGIKKHANO-UTLUCORTSA-N 0 3 282.344 -1.410 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnn(C)c1 ZINC001406446208 889521454 /nfs/dbraw/zinc/52/14/54/889521454.db2.gz CDIBABBYDZRLEA-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001406431082 889521477 /nfs/dbraw/zinc/52/14/77/889521477.db2.gz NIYPCHRJXLROPU-UTLUCORTSA-N 0 3 297.359 -1.488 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ccnnc1 ZINC001406400140 889521499 /nfs/dbraw/zinc/52/14/99/889521499.db2.gz ASWZHOBTQDGZFL-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001406458827 889521585 /nfs/dbraw/zinc/52/15/85/889521585.db2.gz YSJSCMZQHDRQLJ-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCN1CCOCC1 ZINC001406410057 889521976 /nfs/dbraw/zinc/52/19/76/889521976.db2.gz RKZVXKFURKCOPB-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1cnn(C)c1 ZINC001406446227 889521997 /nfs/dbraw/zinc/52/19/97/889521997.db2.gz CEVFBBIMRLUKLM-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001406401140 889522012 /nfs/dbraw/zinc/52/20/12/889522012.db2.gz QJWREJOHTLJPER-VXNVDRBHSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)CN1CCCC1=O ZINC001406448413 889522066 /nfs/dbraw/zinc/52/20/66/889522066.db2.gz KKCCJIOLMZZCOJ-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CS(=O)(=O)C(C)C ZINC001406439001 889522114 /nfs/dbraw/zinc/52/21/14/889522114.db2.gz ZJQXTNGQNUZLPD-SECBINFHSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCCC1=O ZINC001406451516 889522538 /nfs/dbraw/zinc/52/25/38/889522538.db2.gz UEMSGJBUYZKWFR-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001406430707 889522387 /nfs/dbraw/zinc/52/23/87/889522387.db2.gz KQDJLYRGHTVTSW-HTQZYQBOSA-N 0 3 295.343 -1.044 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC1CC1 ZINC001406450600 889522412 /nfs/dbraw/zinc/52/24/12/889522412.db2.gz ZTDQIZSONRTFDP-IUCAKERBSA-N 0 3 284.360 -1.116 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1[nH]cnc1C ZINC001406446293 889522494 /nfs/dbraw/zinc/52/24/94/889522494.db2.gz CFZSAWYWYJIGOP-SSDOTTSWSA-N 0 3 296.331 -1.118 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001406454114 889522588 /nfs/dbraw/zinc/52/25/88/889522588.db2.gz JGTYIXIUNYPIOX-JGVFFNPUSA-N 0 3 299.331 -2.185 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001406452865 889522767 /nfs/dbraw/zinc/52/27/67/889522767.db2.gz JIYVQPRDUDPWLS-YUMQZZPRSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ccn(C)n1 ZINC001406431868 889522830 /nfs/dbraw/zinc/52/28/30/889522830.db2.gz MLEVWOMBTQUWAB-MRVPVSSYSA-N 0 3 293.331 -1.250 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CC1(F)F ZINC001406467682 889523773 /nfs/dbraw/zinc/52/37/73/889523773.db2.gz GMMXHPLXHDTBII-NTSWFWBYSA-N 0 3 278.259 -1.069 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCCS(C)(=O)=O)C(N)=O ZINC001406531899 889523922 /nfs/dbraw/zinc/52/39/22/889523922.db2.gz IWQTVOOSSFRKQZ-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cncnc1 ZINC001406470247 889524153 /nfs/dbraw/zinc/52/41/53/889524153.db2.gz UIJYVNFDHWPCSP-QMMMGPOBSA-N 0 3 291.315 -1.194 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406515969 889524211 /nfs/dbraw/zinc/52/42/11/889524211.db2.gz JLIIRYJDLTUUGI-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccc2n[nH]nc2n1 ZINC001406479932 889524277 /nfs/dbraw/zinc/52/42/77/889524277.db2.gz LODWLZMBVHGYPA-LURJTMIESA-N 0 3 277.288 -1.454 20 0 CAADHN C[C@@H](CNCc1cnn(C)c1)NC(=O)Cn1ncnn1 ZINC001406482994 889524505 /nfs/dbraw/zinc/52/45/05/889524505.db2.gz NYMLXHYFGPYXNH-VIFPVBQESA-N 0 3 278.320 -1.299 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CNCC(=O)NCC1CC1 ZINC001406478653 889524532 /nfs/dbraw/zinc/52/45/32/889524532.db2.gz GULNILUXBORBJZ-VIFPVBQESA-N 0 3 299.375 -1.464 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001406489229 889524639 /nfs/dbraw/zinc/52/46/39/889524639.db2.gz AAZTVLAYYDZUGI-QPUJVOFHSA-N 0 3 270.333 -1.518 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001406529816 889524800 /nfs/dbraw/zinc/52/48/00/889524800.db2.gz SLONIARXVNEMEP-DTWKUNHWSA-N 0 3 285.348 -1.712 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CS(C)(=O)=O)C(=O)N(C)C ZINC001406467237 889524913 /nfs/dbraw/zinc/52/49/13/889524913.db2.gz RLVCNALAVNOPKZ-DTWKUNHWSA-N 0 3 293.389 -1.398 20 0 CAADHN CCCNC(=O)[C@H](C)NC[C@H](C)NC(=O)Cn1ncnn1 ZINC001406478625 889525206 /nfs/dbraw/zinc/52/52/06/889525206.db2.gz DEGICQBDUUCYBB-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001406519365 889525602 /nfs/dbraw/zinc/52/56/02/889525602.db2.gz PPAKNVIGIOIGDV-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1cnn(C)c1N ZINC001406469655 889525769 /nfs/dbraw/zinc/52/57/69/889525769.db2.gz QFEGAXIACFIVKM-WPRPVWTQSA-N 0 3 294.359 -1.059 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001406516117 889525961 /nfs/dbraw/zinc/52/59/61/889525961.db2.gz RGZSDUKCBCPAAD-HZMBPMFUSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001406473381 889526358 /nfs/dbraw/zinc/52/63/58/889526358.db2.gz SXRYDAOGFMPOMP-IUCAKERBSA-N 0 3 285.348 -1.712 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccn(C)c(=O)c1 ZINC001406486071 889526600 /nfs/dbraw/zinc/52/66/00/889526600.db2.gz NYMGKSFCTBGYBQ-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001406464426 889526812 /nfs/dbraw/zinc/52/68/12/889526812.db2.gz UOVNDGJLGYEKCT-QMMMGPOBSA-N 0 3 298.347 -1.819 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001406556762 889528333 /nfs/dbraw/zinc/52/83/33/889528333.db2.gz IPKQQFICQFHIHL-JGVFFNPUSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001406561983 889529622 /nfs/dbraw/zinc/52/96/22/889529622.db2.gz OOSUUUIDLMPHSM-CBAPKCEASA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1nc2ncccn2n1 ZINC001406540319 889530396 /nfs/dbraw/zinc/53/03/96/889530396.db2.gz CCXXAECLXVGQST-YUMQZZPRSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)CCNC(N)=O ZINC001406563584 889531606 /nfs/dbraw/zinc/53/16/06/889531606.db2.gz UDAKAEHMAWEWOE-DTWKUNHWSA-N 0 3 285.348 -1.582 20 0 CAADHN CCN1CC[C@@H](NC[C@H](C)NC(=O)Cn2cncn2)C1=O ZINC001406565488 889531618 /nfs/dbraw/zinc/53/16/18/889531618.db2.gz YMLLNQNQSCJHLJ-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CCCN1C[C@H](C(=O)N[C@@H](C)CNCC(N)=O)CC1=O ZINC001406539264 889531650 /nfs/dbraw/zinc/53/16/50/889531650.db2.gz UKHWWMPNMIOQEA-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCN1CCCC1=O ZINC001406550298 889531662 /nfs/dbraw/zinc/53/16/62/889531662.db2.gz BNKCGGPYIJFQPB-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001406613157 889532522 /nfs/dbraw/zinc/53/25/22/889532522.db2.gz MXNXXNQSWCPJRZ-NXEZZACHSA-N 0 3 285.348 -1.128 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CNC(=O)OC)C1CC1 ZINC001406745394 889532859 /nfs/dbraw/zinc/53/28/59/889532859.db2.gz GPYYIRBMUBGIAU-SECBINFHSA-N 0 3 286.332 -1.427 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CNCc1cnnn1C)C1CC1 ZINC001406741639 889534690 /nfs/dbraw/zinc/53/46/90/889534690.db2.gz OXUOIXCWYVPFSL-LBPRGKRZSA-N 0 3 294.359 -1.064 20 0 CAADHN CNC(=O)CN(C)C[C@@H](C)NC(=O)C1=NC(=O)N(C)C1 ZINC001406653476 889535459 /nfs/dbraw/zinc/53/54/59/889535459.db2.gz KWCDACWINUGEHM-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN Cn1c(C(=O)N[C@@H](CNCC(N)=O)C2CC2)cccc1=O ZINC001406781186 889536297 /nfs/dbraw/zinc/53/62/97/889536297.db2.gz QCZKUSXEUGJQIH-JTQLQIEISA-N 0 3 292.339 -1.031 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CN1CCCNC1=O)C1CC1 ZINC001406757580 889536362 /nfs/dbraw/zinc/53/63/62/889536362.db2.gz IYNNZPKMFVEYST-JTQLQIEISA-N 0 3 297.359 -1.629 20 0 CAADHN Cn1c(C(=O)N[C@H](CNCC(N)=O)C2CC2)cccc1=O ZINC001406781191 889536586 /nfs/dbraw/zinc/53/65/86/889536586.db2.gz QCZKUSXEUGJQIH-SNVBAGLBSA-N 0 3 292.339 -1.031 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001406747656 889537230 /nfs/dbraw/zinc/53/72/30/889537230.db2.gz FDZSYYLOWOHPPI-WPRPVWTQSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001406769727 889538103 /nfs/dbraw/zinc/53/81/03/889538103.db2.gz ZBBWPAOCMYOQMW-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN Cc1nonc1CC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001406788275 889538155 /nfs/dbraw/zinc/53/81/55/889538155.db2.gz PDWOUCZRQAOTOP-JTQLQIEISA-N 0 3 281.316 -1.110 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001406793991 889538568 /nfs/dbraw/zinc/53/85/68/889538568.db2.gz MQLCYWALXZAPBS-UTLUCORTSA-N 0 3 282.344 -1.662 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)c1cn(C)nn1)C1CC1)C(N)=O ZINC001406748724 889538715 /nfs/dbraw/zinc/53/87/15/889538715.db2.gz HUBWMHOEDBBOQG-IONNQARKSA-N 0 3 280.332 -1.213 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001406815041 889538886 /nfs/dbraw/zinc/53/88/86/889538886.db2.gz FXEUTMCFBKWZAP-VXGBXAGGSA-N 0 3 296.371 -1.033 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001406762728 889539031 /nfs/dbraw/zinc/53/90/31/889539031.db2.gz ZSLMSOKWPZZKNR-ZJUUUORDSA-N 0 3 298.343 -1.333 20 0 CAADHN Cn1nncc1C(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001406916252 889544614 /nfs/dbraw/zinc/54/46/14/889544614.db2.gz DHSSVKFLAIKPHA-VIFPVBQESA-N 0 3 292.343 -1.054 20 0 CAADHN CC(=O)NCC(=O)NCC1(N[C@H]2CCCN(C)C2=O)CC1 ZINC001406894544 889544992 /nfs/dbraw/zinc/54/49/92/889544992.db2.gz MKEIVAYYWYMRHL-NSHDSACASA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NC1(CNC(=O)[C@@H]2CN(C)CCO2)CC1)C(N)=O ZINC001406914440 889546048 /nfs/dbraw/zinc/54/60/48/889546048.db2.gz VQEQETKPCRWFQH-ZJUUUORDSA-N 0 3 284.360 -1.571 20 0 CAADHN Cc1nnc(CC(=O)NCC2(NCC(=O)N(C)C)CC2)[nH]1 ZINC001406924220 889546416 /nfs/dbraw/zinc/54/64/16/889546416.db2.gz ZGDNWLFSOZOZBO-UHFFFAOYSA-N 0 3 294.359 -1.018 20 0 CAADHN C[C@H](NC1(CNC(=O)[C@@H]2CN(C)CCO2)CC1)C(N)=O ZINC001406914407 889546836 /nfs/dbraw/zinc/54/68/36/889546836.db2.gz VQEQETKPCRWFQH-UWVGGRQHSA-N 0 3 284.360 -1.571 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCC2(NCC(N)=O)CC2)C1 ZINC001406996011 889549074 /nfs/dbraw/zinc/54/90/74/889549074.db2.gz AYEHSSKXPQOOEF-SNVBAGLBSA-N 0 3 284.360 -1.569 20 0 CAADHN CCN1CCO[C@H](C(=O)NCC2(NCC(N)=O)CC2)C1 ZINC001406996008 889549929 /nfs/dbraw/zinc/54/99/29/889549929.db2.gz AYEHSSKXPQOOEF-JTQLQIEISA-N 0 3 284.360 -1.569 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001407099280 889552877 /nfs/dbraw/zinc/55/28/77/889552877.db2.gz ZCNHQKPDLLLIOQ-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CN1CCOCC1 ZINC001407101747 889553177 /nfs/dbraw/zinc/55/31/77/889553177.db2.gz ZYPHWXUAAIERMA-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CCO[C@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001407089791 889553495 /nfs/dbraw/zinc/55/34/95/889553495.db2.gz BRBWOVRHGNSEBH-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CCN1CCOCC1 ZINC001407119427 889555198 /nfs/dbraw/zinc/55/51/98/889555198.db2.gz WWRTYDHQRKBTDN-GFCCVEGCSA-N 0 3 298.387 -1.225 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cn2cccn2)CCOCC1 ZINC001407283244 889555908 /nfs/dbraw/zinc/55/59/08/889555908.db2.gz CZFQUAOKFPBGMM-UHFFFAOYSA-N 0 3 295.343 -1.377 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC[C@H]2CNCC(N)=O)NC1=O ZINC001407116836 889557681 /nfs/dbraw/zinc/55/76/81/889557681.db2.gz SOYDQEUSJGVWKL-IUCAKERBSA-N 0 3 283.332 -1.924 20 0 CAADHN COCC[N@@H+]1CC[C@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001407360704 889559888 /nfs/dbraw/zinc/55/98/88/889559888.db2.gz XTKLPVUBKXDEAR-ZDUSSCGKSA-N 0 3 297.359 -1.063 20 0 CAADHN COCC[N@H+]1CC[C@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001407360704 889559897 /nfs/dbraw/zinc/55/98/97/889559897.db2.gz XTKLPVUBKXDEAR-ZDUSSCGKSA-N 0 3 297.359 -1.063 20 0 CAADHN COCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001407360697 889560303 /nfs/dbraw/zinc/56/03/03/889560303.db2.gz XTKLPVUBKXDEAR-CYBMUJFWSA-N 0 3 297.359 -1.063 20 0 CAADHN COCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001407360697 889560314 /nfs/dbraw/zinc/56/03/14/889560314.db2.gz XTKLPVUBKXDEAR-CYBMUJFWSA-N 0 3 297.359 -1.063 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001407349840 889560935 /nfs/dbraw/zinc/56/09/35/889560935.db2.gz ISKRAVBQEFELSU-ZANVPECISA-N 0 3 295.343 -1.621 20 0 CAADHN Cn1nccc1CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001407348998 889562466 /nfs/dbraw/zinc/56/24/66/889562466.db2.gz OCXRJZZMNSQAHE-CQSZACIVSA-N 0 3 296.371 -1.102 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001407351269 889563095 /nfs/dbraw/zinc/56/30/95/889563095.db2.gz OFOVBKBKYMUBOB-MFKMUULPSA-N 0 3 287.360 -1.554 20 0 CAADHN O=C(Cc1nnc[nH]1)NC[C@]1(O)CCN(CCF)C1 ZINC001407367164 889564410 /nfs/dbraw/zinc/56/44/10/889564410.db2.gz JVQRVZHWNZCAJV-LLVKDONJSA-N 0 3 271.296 -1.130 20 0 CAADHN O=C(CCc1cnccn1)NC[C@@]1(O)CCN(CCO)C1 ZINC001407379771 889565205 /nfs/dbraw/zinc/56/52/05/889565205.db2.gz YFRHMAXSPYWUMO-AWEZNQCLSA-N 0 3 294.355 -1.046 20 0 CAADHN Cn1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)ccc1=O ZINC001407381795 889565396 /nfs/dbraw/zinc/56/53/96/889565396.db2.gz ONDPFKGGFJYBCB-AWEZNQCLSA-N 0 3 295.339 -1.456 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@]2(O)CCN(CCO)C2)CC1=O ZINC001407384566 889565621 /nfs/dbraw/zinc/56/56/21/889565621.db2.gz PZBKKJNYEDFQEK-SMDDNHRTSA-N 0 3 299.371 -1.600 20 0 CAADHN COC[C@@H](OC)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001407372837 889566005 /nfs/dbraw/zinc/56/60/05/889566005.db2.gz XZJGKKLZYBWVPN-PWSUYJOCSA-N 0 3 276.333 -1.807 20 0 CAADHN CN1C[C@H](C(=O)NC[C@]2(O)CCN(CCO)C2)NC1=O ZINC001407384336 889566674 /nfs/dbraw/zinc/56/66/74/889566674.db2.gz PBDHZSROJKTVSS-BXKDBHETSA-N 0 3 286.332 -2.445 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407368031 889567488 /nfs/dbraw/zinc/56/74/88/889567488.db2.gz QVZMIBQYOHLERZ-BXKDBHETSA-N 0 3 286.332 -2.133 20 0 CAADHN CC[C@H](C(=O)NC[C@@H]1CN(CC(N)=O)CCO1)N(C)C ZINC001407486340 889578496 /nfs/dbraw/zinc/57/84/96/889578496.db2.gz GJRBGTVHFDOWGS-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407617113 889582449 /nfs/dbraw/zinc/58/24/49/889582449.db2.gz JWPDBWYMDONGLE-JOYOIKCWSA-N 0 3 270.333 -1.369 20 0 CAADHN CCN1CCC[C@@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407617100 889582668 /nfs/dbraw/zinc/58/26/68/889582668.db2.gz JWPDBWYMDONGLE-BXKDBHETSA-N 0 3 270.333 -1.369 20 0 CAADHN CCN1CCC[C@](CO)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001407617117 889583403 /nfs/dbraw/zinc/58/34/03/889583403.db2.gz JWPDBWYMDONGLE-SKDRFNHKSA-N 0 3 270.333 -1.369 20 0 CAADHN O=C([C@@H]1CCCO1)N(CCO)CCN[C@H]1CCCNC1=O ZINC001407655873 889583420 /nfs/dbraw/zinc/58/34/20/889583420.db2.gz NQRYXQOHXITMBT-RYUDHWBXSA-N 0 3 299.371 -1.146 20 0 CAADHN Cc1nc[nH]c1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001407664246 889584409 /nfs/dbraw/zinc/58/44/09/889584409.db2.gz CDGVUBCOIXZDCX-JTQLQIEISA-N 0 3 295.343 -1.369 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@@H]1C ZINC001407547681 889584923 /nfs/dbraw/zinc/58/49/23/889584923.db2.gz QZUDARYEZSTDKJ-DTWKUNHWSA-N 0 3 280.332 -1.152 20 0 CAADHN O=C(c1ccnnc1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001407657980 889585298 /nfs/dbraw/zinc/58/52/98/889585298.db2.gz LEQMPKIIYAIQHC-LLVKDONJSA-N 0 3 293.327 -1.611 20 0 CAADHN O=C([C@H]1CCCOC1)N(CCO)CCN[C@H]1CCNC1=O ZINC001407681941 889586156 /nfs/dbraw/zinc/58/61/56/889586156.db2.gz DHDJSONSVNVGKY-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN Cc1nc[nH]c1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001407664256 889586240 /nfs/dbraw/zinc/58/62/40/889586240.db2.gz CDGVUBCOIXZDCX-SNVBAGLBSA-N 0 3 295.343 -1.369 20 0 CAADHN NC(=O)NC(=O)CNC1(CNC(=O)[C@H]2CCOC2)CCC1 ZINC001407765547 889586307 /nfs/dbraw/zinc/58/63/07/889586307.db2.gz WGUJGHUMWREAQE-VIFPVBQESA-N 0 3 298.343 -1.154 20 0 CAADHN C[C@H]([NH2+]CCN(CCO)C(=O)c1nc[n-]n1)C(=O)N(C)C ZINC001407670903 889586328 /nfs/dbraw/zinc/58/63/28/889586328.db2.gz ZPGBJKMHAPMQEB-VIFPVBQESA-N 0 3 298.347 -1.695 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1nc[nH]n1)C(=O)N(C)C ZINC001407670903 889586339 /nfs/dbraw/zinc/58/63/39/889586339.db2.gz ZPGBJKMHAPMQEB-VIFPVBQESA-N 0 3 298.347 -1.695 20 0 CAADHN O=C([C@@H]1CCCOC1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001407681944 889586619 /nfs/dbraw/zinc/58/66/19/889586619.db2.gz DHDJSONSVNVGKY-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ccnn1C)C(N)=O ZINC001407694374 889586827 /nfs/dbraw/zinc/58/68/27/889586827.db2.gz PBOQVJKZRJAANU-VIFPVBQESA-N 0 3 283.332 -1.682 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)CC(C)(C)O)C(N)=O ZINC001407680228 889586960 /nfs/dbraw/zinc/58/69/60/889586960.db2.gz BVLRZHHJOLEHJA-VIFPVBQESA-N 0 3 275.349 -1.568 20 0 CAADHN Cn1ccc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)n1 ZINC001407682196 889587288 /nfs/dbraw/zinc/58/72/88/889587288.db2.gz UGCCKXLPMNWDND-JTQLQIEISA-N 0 3 295.343 -1.667 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cnns1)C(N)=O ZINC001407681834 889588149 /nfs/dbraw/zinc/58/81/49/889588149.db2.gz CLGOHMICRUOGKU-ZETCQYMHSA-N 0 3 287.345 -1.564 20 0 CAADHN NC(=O)NC(=O)CNC1(CNC(=O)[C@@H]2CCOC2)CCC1 ZINC001407765541 889588222 /nfs/dbraw/zinc/58/82/22/889588222.db2.gz WGUJGHUMWREAQE-SECBINFHSA-N 0 3 298.343 -1.154 20 0 CAADHN Cc1nc[nH]c1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001407666600 889588382 /nfs/dbraw/zinc/58/83/82/889588382.db2.gz DQBMYMRMVPCFTK-VIFPVBQESA-N 0 3 283.332 -1.384 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1ncc[nH]1)C(N)=O ZINC001407680018 889588395 /nfs/dbraw/zinc/58/83/95/889588395.db2.gz ANLAALHKCIUAIA-VIFPVBQESA-N 0 3 283.332 -1.302 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)ncn1 ZINC001407696676 889588464 /nfs/dbraw/zinc/58/84/64/889588464.db2.gz QBRNSGIEHUDWIP-JTQLQIEISA-N 0 3 295.343 -1.317 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@]12C[C@H]1COC2 ZINC001407688496 889588840 /nfs/dbraw/zinc/58/88/40/889588840.db2.gz IXQRDLCAGXRSDK-SUNKGSAMSA-N 0 3 299.371 -1.432 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)CCO1 ZINC001407855091 889590193 /nfs/dbraw/zinc/59/01/93/889590193.db2.gz CFAKRGCKSRNGJQ-RISCZKNCSA-N 0 3 299.371 -1.024 20 0 CAADHN COCC(=O)N1CCO[C@H](CNCC(=O)N(C)C)C1 ZINC001407838864 889590233 /nfs/dbraw/zinc/59/02/33/889590233.db2.gz XKHNAWWJGZVTGX-SNVBAGLBSA-N 0 3 273.333 -1.462 20 0 CAADHN Cc1nonc1C(=O)N1CCO[C@@H](CN[C@@H](C)C(N)=O)C1 ZINC001407845257 889590363 /nfs/dbraw/zinc/59/03/63/889590363.db2.gz DMFRRCFZGVYERS-IUCAKERBSA-N 0 3 297.315 -1.318 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001407828714 889590391 /nfs/dbraw/zinc/59/03/91/889590391.db2.gz BEDORBDBBIVFLS-YUMQZZPRSA-N 0 3 286.288 -2.603 20 0 CAADHN CCOCC(=O)N1CCO[C@@H](CNCC(=O)N(C)C)C1 ZINC001407835462 889590552 /nfs/dbraw/zinc/59/05/52/889590552.db2.gz NRVXJBQWSIZPTH-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cccnn2)CCO1)C(N)=O ZINC001407855414 889591182 /nfs/dbraw/zinc/59/11/82/889591182.db2.gz CRCRRLHIMPYCFL-ZJUUUORDSA-N 0 3 293.327 -1.219 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CCCC(=O)N2)CCC1 ZINC001407784282 889591223 /nfs/dbraw/zinc/59/12/23/889591223.db2.gz KLZUJWKCXUQXLH-SECBINFHSA-N 0 3 282.344 -1.231 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)CCO1 ZINC001407828711 889591759 /nfs/dbraw/zinc/59/17/59/889591759.db2.gz BEDORBDBBIVFLS-SFYZADRCSA-N 0 3 286.288 -2.603 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)OC)CCO1 ZINC001407828423 889591941 /nfs/dbraw/zinc/59/19/41/889591941.db2.gz HTZKSLNYSWUPHC-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CNC1(CNC(=O)C[C@@H]2CCNC2=O)CCC1 ZINC001407792745 889592062 /nfs/dbraw/zinc/59/20/62/889592062.db2.gz PMBNXZJJYGTPKD-JTQLQIEISA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CN(C)CCO2)CCC1 ZINC001407783841 889592173 /nfs/dbraw/zinc/59/21/73/889592173.db2.gz RJNAXBZFSLUHRS-LLVKDONJSA-N 0 3 298.387 -1.309 20 0 CAADHN NC(=O)NC(=O)CNC[C@H]1CN(C(=O)C2CCC2)CCO1 ZINC001407831866 889592250 /nfs/dbraw/zinc/59/22/50/889592250.db2.gz PGDOIBBUSHXFQX-JTQLQIEISA-N 0 3 298.343 -1.202 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cccnn2)CCO1)C(N)=O ZINC001407855412 889592263 /nfs/dbraw/zinc/59/22/63/889592263.db2.gz CRCRRLHIMPYCFL-VHSXEESVSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cnsn2)CCO1)C(N)=O ZINC001407829452 889592365 /nfs/dbraw/zinc/59/23/65/889592365.db2.gz ILMIAQCQOURSFD-SFYZADRCSA-N 0 3 299.356 -1.158 20 0 CAADHN Cc1nonc1C(=O)N1CCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001407845248 889592624 /nfs/dbraw/zinc/59/26/24/889592624.db2.gz DMFRRCFZGVYERS-BDAKNGLRSA-N 0 3 297.315 -1.318 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001407888695 889593944 /nfs/dbraw/zinc/59/39/44/889593944.db2.gz VXJAURHEZHTSSU-JTQLQIEISA-N 0 3 295.343 -1.072 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001407888696 889594017 /nfs/dbraw/zinc/59/40/17/889594017.db2.gz VXJAURHEZHTSSU-SNVBAGLBSA-N 0 3 295.343 -1.072 20 0 CAADHN COC[C@H](C)CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001407866736 889595179 /nfs/dbraw/zinc/59/51/79/889595179.db2.gz MQRSBJGQTBUQTM-MNOVXSKESA-N 0 3 287.360 -1.039 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001407863669 889595302 /nfs/dbraw/zinc/59/53/02/889595302.db2.gz WSLBPLLSCDETBJ-SSDOTTSWSA-N 0 3 285.279 -1.535 20 0 CAADHN Cc1nnc(CC(=O)N2CCO[C@@H](CNCC(N)=O)C2)[nH]1 ZINC001407873418 889596223 /nfs/dbraw/zinc/59/62/23/889596223.db2.gz LQVFQXSQRDDQQW-VIFPVBQESA-N 0 3 296.331 -2.042 20 0 CAADHN Cc1nonc1C(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001408037132 889598249 /nfs/dbraw/zinc/59/82/49/889598249.db2.gz FTCYZZXORGVGLU-UHFFFAOYSA-N 0 3 297.315 -1.268 20 0 CAADHN NC(=O)CN[C@@]1(CO)CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001408010297 889598753 /nfs/dbraw/zinc/59/87/53/889598753.db2.gz GSRWDCHYTOLZPY-ZDUSSCGKSA-N 0 3 295.343 -1.619 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@@H]2CNC(=O)N2)CCOCC1 ZINC001408048287 889599046 /nfs/dbraw/zinc/59/90/46/889599046.db2.gz NEZYXOBZJXBBPB-QMMMGPOBSA-N 0 3 299.331 -2.592 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C ZINC001408092575 889600962 /nfs/dbraw/zinc/60/09/62/889600962.db2.gz IOCOJGZDWZXUBZ-ZJUUUORDSA-N 0 3 295.347 -1.754 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1C ZINC001408088323 889601450 /nfs/dbraw/zinc/60/14/50/889601450.db2.gz DLPKVYAVDGGPRO-WPRPVWTQSA-N 0 3 280.332 -1.389 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C ZINC001408103738 889602134 /nfs/dbraw/zinc/60/21/34/889602134.db2.gz REZWNUPXEWYDFM-ZJUUUORDSA-N 0 3 280.332 -1.539 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC001408103737 889602576 /nfs/dbraw/zinc/60/25/76/889602576.db2.gz REZWNUPXEWYDFM-VHSXEESVSA-N 0 3 280.332 -1.539 20 0 CAADHN CCOCC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001408148827 889603838 /nfs/dbraw/zinc/60/38/38/889603838.db2.gz AVWRECGILVNRCL-UHFFFAOYSA-N 0 3 273.333 -1.549 20 0 CAADHN O=C(Cn1ncnn1)NC1(CO)CCN(CCCO)CC1 ZINC001408264784 889607558 /nfs/dbraw/zinc/60/75/58/889607558.db2.gz CDCFEGARZUEBDN-UHFFFAOYSA-N 0 3 298.347 -2.001 20 0 CAADHN CN1C[C@@H](C(=O)NC2(CO)CCN(CCO)CC2)CC1=O ZINC001408272839 889607595 /nfs/dbraw/zinc/60/75/95/889607595.db2.gz YRSNWLCXSGWLGI-NSHDSACASA-N 0 3 299.371 -1.600 20 0 CAADHN NC(=O)CN1CCC(CO)(NC(=O)c2nnc[nH]2)CC1 ZINC001408269352 889607726 /nfs/dbraw/zinc/60/77/26/889607726.db2.gz BJAZVZNTZBJECV-UHFFFAOYSA-N 0 3 282.304 -2.153 20 0 CAADHN CN1C[C@H](C(=O)NC2(CO)CCN(CCO)CC2)CC1=O ZINC001408272838 889607947 /nfs/dbraw/zinc/60/79/47/889607947.db2.gz YRSNWLCXSGWLGI-LLVKDONJSA-N 0 3 299.371 -1.600 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(CCO)CC1 ZINC001408282696 889608833 /nfs/dbraw/zinc/60/88/33/889608833.db2.gz WGMQGYOPIMTOIP-ZJUUUORDSA-N 0 3 285.344 -1.957 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CS(C)(=O)=O ZINC001410332702 889671918 /nfs/dbraw/zinc/67/19/18/889671918.db2.gz BFDWEZKNZMFORK-QMMMGPOBSA-N 0 3 279.362 -1.787 20 0 CAADHN C[C@H](CN(C)C(=O)CCCS(N)(=O)=O)NCC(N)=O ZINC001410426377 889677210 /nfs/dbraw/zinc/67/72/10/889677210.db2.gz AOXWXHGGVPBKES-MRVPVSSYSA-N 0 3 294.377 -2.023 20 0 CAADHN CC(=O)NCC(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001409025116 889624760 /nfs/dbraw/zinc/62/47/60/889624760.db2.gz ZKTSBQQXNDGFPV-LLVKDONJSA-N 0 3 282.344 -1.456 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001409025874 889624938 /nfs/dbraw/zinc/62/49/38/889624938.db2.gz CGIFIMXOCLMHRA-JOYOIKCWSA-N 0 3 296.371 -1.068 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1)N(C)C ZINC001409070334 889625909 /nfs/dbraw/zinc/62/59/09/889625909.db2.gz HJVMTNRGFXHCCR-VHSXEESVSA-N 0 3 298.343 -1.238 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001409063631 889627537 /nfs/dbraw/zinc/62/75/37/889627537.db2.gz IFRPAWCVJLKRCB-LLVKDONJSA-N 0 3 296.371 -1.068 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001409087475 889627614 /nfs/dbraw/zinc/62/76/14/889627614.db2.gz DWZDMSHPCXUXAH-JTQLQIEISA-N 0 3 297.359 -1.663 20 0 CAADHN CC[C@@H](C(=O)NCC1CN(C(=O)CNC(N)=O)C1)N(C)C ZINC001409183180 889630114 /nfs/dbraw/zinc/63/01/14/889630114.db2.gz VFKFWPGQPUQMLZ-JTQLQIEISA-N 0 3 299.375 -1.431 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001409397931 889633401 /nfs/dbraw/zinc/63/34/01/889633401.db2.gz MKAOYVDWDOVGBH-IUCAKERBSA-N 0 3 283.336 -1.756 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001409383053 889632768 /nfs/dbraw/zinc/63/27/68/889632768.db2.gz OEDNFDYMDBTPDU-SFYZADRCSA-N 0 3 283.332 -1.032 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CNC(C)=O ZINC001409313730 889633430 /nfs/dbraw/zinc/63/34/30/889633430.db2.gz KRGUDYDWAJYFCZ-RKDXNWHRSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cccn2nnnc12 ZINC001409369727 889633877 /nfs/dbraw/zinc/63/38/77/889633877.db2.gz PGXFVEUTCXGAPR-HTQZYQBOSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)N(C)CCO ZINC001409565091 889635783 /nfs/dbraw/zinc/63/57/83/889635783.db2.gz FSBRVBSCCHWQET-SNVBAGLBSA-N 0 3 298.343 -2.024 20 0 CAADHN C[C@@H](NC(=O)c1cc2n(n1)CCO2)[C@H](C)NCC(N)=O ZINC001409403263 889636566 /nfs/dbraw/zinc/63/65/66/889636566.db2.gz VJIDJTHRNOBDKB-JGVFFNPUSA-N 0 3 281.316 -1.143 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N(C)CCn1cncn1 ZINC001409614021 889636783 /nfs/dbraw/zinc/63/67/83/889636783.db2.gz UPYKXCANIUBXRL-VIFPVBQESA-N 0 3 293.335 -1.448 20 0 CAADHN COCCN(C)[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001409592954 889637471 /nfs/dbraw/zinc/63/74/71/889637471.db2.gz MXHJMOGVYZUXMR-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)N(C)CCO ZINC001409601363 889637650 /nfs/dbraw/zinc/63/76/50/889637650.db2.gz RLRBMMSXRUVDGH-KOLCDFICSA-N 0 3 295.343 -1.206 20 0 CAADHN CNS(=O)(=O)CCC(=O)NC[C@@H](C)N(C)CCO ZINC001409557231 889638027 /nfs/dbraw/zinc/63/80/27/889638027.db2.gz QDXWIMVDYNPRJH-SECBINFHSA-N 0 3 281.378 -1.646 20 0 CAADHN COCCN(C)[C@@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001409592967 889638334 /nfs/dbraw/zinc/63/83/34/889638334.db2.gz MXHJMOGVYZUXMR-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cc2n(n1)CCO2 ZINC001409403243 889638721 /nfs/dbraw/zinc/63/87/21/889638721.db2.gz VJIDJTHRNOBDKB-HTQZYQBOSA-N 0 3 281.316 -1.143 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)N(C)CCn1cncn1 ZINC001409540217 889639171 /nfs/dbraw/zinc/63/91/71/889639171.db2.gz JGDCAYNRSLJFDX-UWVGGRQHSA-N 0 3 297.363 -1.229 20 0 CAADHN CCCC[C@H](CNCC(=O)NC)NC(=O)c1nnn(C)n1 ZINC001409828243 889645453 /nfs/dbraw/zinc/64/54/53/889645453.db2.gz KHCCFRFRFYOGLE-SECBINFHSA-N 0 3 297.363 -1.166 20 0 CAADHN CC(C)N(C)CC(=O)NC1(CCO)CN(CCO)C1 ZINC001409754482 889646485 /nfs/dbraw/zinc/64/64/85/889646485.db2.gz YMJYLZKGZXSLMA-UHFFFAOYSA-N 0 3 273.377 -1.128 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC1(CNCC(N)=O)CCCCC1 ZINC001409771812 889646763 /nfs/dbraw/zinc/64/67/63/889646763.db2.gz MZXCSYNWYJXEBQ-VIFPVBQESA-N 0 3 299.375 -1.063 20 0 CAADHN C[C@@H](NC(=O)CN1CCOCC1=O)C1CN(C[C@H](C)O)C1 ZINC001409899413 889647967 /nfs/dbraw/zinc/64/79/67/889647967.db2.gz CQLVDOGCUVKHCO-WDEREUQCSA-N 0 3 299.371 -1.338 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CNC(=O)CNC(C)=O)[C@@H]2C1 ZINC001410030212 889650053 /nfs/dbraw/zinc/65/00/53/889650053.db2.gz GULBKTDOZBHDBX-PDEGPIFNSA-N 0 3 296.371 -1.449 20 0 CAADHN COCCN1CC([C@@H](C)NC(=O)CN2CCNC(=O)C2)C1 ZINC001409925645 889650154 /nfs/dbraw/zinc/65/01/54/889650154.db2.gz RBVLNDHHOCHGLU-LLVKDONJSA-N 0 3 298.387 -1.499 20 0 CAADHN C[C@@H](NC(=O)CN1CCOCC1=O)C1CN(CCCO)C1 ZINC001409915069 889650409 /nfs/dbraw/zinc/65/04/09/889650409.db2.gz LBYQBWNJYUZPFL-LLVKDONJSA-N 0 3 299.371 -1.336 20 0 CAADHN C[C@@H](O)CN1CC([C@@H](C)NC(=O)CN2CCOCC2=O)C1 ZINC001409899337 889650428 /nfs/dbraw/zinc/65/04/28/889650428.db2.gz CQLVDOGCUVKHCO-GHMZBOCLSA-N 0 3 299.371 -1.338 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001410140141 889664116 /nfs/dbraw/zinc/66/41/16/889664116.db2.gz GCVLQRVUNHNLGD-PSASIEDQSA-N 0 3 281.316 -1.286 20 0 CAADHN C[C@@H](NCCF)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001410146392 889664778 /nfs/dbraw/zinc/66/47/78/889664778.db2.gz IOFWNANLMAPXMS-ZJUUUORDSA-N 0 3 286.311 -1.152 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001410158864 889665265 /nfs/dbraw/zinc/66/52/65/889665265.db2.gz QMBQJRBVTBRHPO-KOLCDFICSA-N 0 3 295.343 -1.357 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001410256481 889667002 /nfs/dbraw/zinc/66/70/02/889667002.db2.gz ZBCNLOKRTJXBOJ-NSHDSACASA-N 0 3 296.371 -1.066 20 0 CAADHN CCN(CC)CC(=O)N[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001410207512 889668765 /nfs/dbraw/zinc/66/87/65/889668765.db2.gz SDKMQLIMRHAVHS-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@@H](N[C@H](C)CN(C)C(=O)CNC(C)=O)C(N)=O ZINC001410329505 889670033 /nfs/dbraw/zinc/67/00/33/889670033.db2.gz TVBBKRHKNJGGJN-PSASIEDQSA-N 0 3 272.349 -1.177 20 0 CAADHN CN(C(=O)c1cn(C)nn1)[C@H](CNCC(N)=O)C1CC1 ZINC001410297423 889670133 /nfs/dbraw/zinc/67/01/33/889670133.db2.gz CJXUZWWQQDZRNH-SNVBAGLBSA-N 0 3 280.332 -1.259 20 0 CAADHN CC[C@@H](N[C@@H](C)CN(C)C(=O)CNC(C)=O)C(N)=O ZINC001410329509 889670241 /nfs/dbraw/zinc/67/02/41/889670241.db2.gz TVBBKRHKNJGGJN-WCBMZHEXSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](CC(=O)N(C)[C@@H](CNCC(N)=O)C1CC1)NC(N)=O ZINC001410305892 889670699 /nfs/dbraw/zinc/67/06/99/889670699.db2.gz DUVMZHTVPNQJAU-WPRPVWTQSA-N 0 3 299.375 -1.255 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001410334661 889671176 /nfs/dbraw/zinc/67/11/76/889671176.db2.gz AGZRZAMAQSBBSN-RKDXNWHRSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001410334656 889671628 /nfs/dbraw/zinc/67/16/28/889671628.db2.gz AGZRZAMAQSBBSN-DTWKUNHWSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H](CC(=O)N(C)[C@@H](CNCC(N)=O)C1CC1)NC(N)=O ZINC001410305876 889671661 /nfs/dbraw/zinc/67/16/61/889671661.db2.gz DUVMZHTVPNQJAU-SCZZXKLOSA-N 0 3 299.375 -1.255 20 0 CAADHN CC[C@H](N[C@H](C)CN(C)C(=O)CNC(C)=O)C(N)=O ZINC001410329508 889671774 /nfs/dbraw/zinc/67/17/74/889671774.db2.gz TVBBKRHKNJGGJN-SCZZXKLOSA-N 0 3 272.349 -1.177 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H]1CCNC1=O ZINC001410334847 889672297 /nfs/dbraw/zinc/67/22/97/889672297.db2.gz BBRGLFNMDIDLPO-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnnn1C)NCC(=O)N(C)C ZINC001410372160 889673752 /nfs/dbraw/zinc/67/37/52/889673752.db2.gz CFDLLJVCHFPFEU-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)COC ZINC001410353363 889674435 /nfs/dbraw/zinc/67/44/35/889674435.db2.gz ULAKHTNRLCSRLG-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O ZINC001410384561 889674403 /nfs/dbraw/zinc/67/44/03/889674403.db2.gz KWQDUGVZDGNWKC-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN Cc1nc(CN[C@@H](C)CN(C)C(=O)Cn2ncnn2)n[nH]1 ZINC001410376086 889674864 /nfs/dbraw/zinc/67/48/64/889674864.db2.gz IWJHAUIANWUQNF-QMMMGPOBSA-N 0 3 293.335 -1.264 20 0 CAADHN Cc1nc(CN[C@H](C)CN(C)C(=O)Cn2ncnn2)n[nH]1 ZINC001410376079 889675080 /nfs/dbraw/zinc/67/50/80/889675080.db2.gz IWJHAUIANWUQNF-MRVPVSSYSA-N 0 3 293.335 -1.264 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O)[nH]n1 ZINC001410354190 889675249 /nfs/dbraw/zinc/67/52/49/889675249.db2.gz XTFWWRHWDLZATB-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O)n[nH]1 ZINC001410354190 889675252 /nfs/dbraw/zinc/67/52/52/889675252.db2.gz XTFWWRHWDLZATB-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)NCc1n[nH]c(C)n1 ZINC001410400153 889675274 /nfs/dbraw/zinc/67/52/74/889675274.db2.gz SSWJZWLHBOQKHE-QMMMGPOBSA-N 0 3 297.363 -1.021 20 0 CAADHN C[C@@H](CN(C)C(=O)CCCS(N)(=O)=O)NCC(N)=O ZINC001410426407 889676923 /nfs/dbraw/zinc/67/69/23/889676923.db2.gz AOXWXHGGVPBKES-QMMMGPOBSA-N 0 3 294.377 -2.023 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001410477050 889677017 /nfs/dbraw/zinc/67/70/17/889677017.db2.gz AGZRZAMAQSBBSN-BDAKNGLRSA-N 0 3 270.333 -1.553 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O)n1 ZINC001410445188 889677045 /nfs/dbraw/zinc/67/70/45/889677045.db2.gz ILUSECXGXXEYHI-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)NC1CC1 ZINC001410442334 889677070 /nfs/dbraw/zinc/67/70/70/889677070.db2.gz SQIJFOUPGAOEOL-IEBDPFPHSA-N 0 3 296.371 -1.177 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001410446976 889677688 /nfs/dbraw/zinc/67/76/88/889677688.db2.gz YEDWYRRCMFFXAK-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001410477054 889677724 /nfs/dbraw/zinc/67/77/24/889677724.db2.gz AGZRZAMAQSBBSN-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H](CN(C)C(=O)CCNC(N)=O)N[C@H]1CCCNC1=O ZINC001410468743 889677765 /nfs/dbraw/zinc/67/77/65/889677765.db2.gz FHABLILLXILYPX-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001410426543 889677869 /nfs/dbraw/zinc/67/78/69/889677869.db2.gz ATRLGKMIQZHIAH-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN C[C@H](CN(C)C(=O)CCNC(N)=O)N[C@@H]1CCCNC1=O ZINC001410468737 889677930 /nfs/dbraw/zinc/67/79/30/889677930.db2.gz FHABLILLXILYPX-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN O=C(Cc1cc[nH]n1)NC[C@H](CO)NCCn1cncn1 ZINC001410585400 889686386 /nfs/dbraw/zinc/68/63/86/889686386.db2.gz SJIUVPKIKCZHCF-LLVKDONJSA-N 0 3 293.331 -1.689 20 0 CAADHN O=C(Cc1cc[nH]n1)NC[C@@H](CO)NCCn1cncn1 ZINC001410585414 889687021 /nfs/dbraw/zinc/68/70/21/889687021.db2.gz SJIUVPKIKCZHCF-NSHDSACASA-N 0 3 293.331 -1.689 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](CO)NCCn2cncn2)n1 ZINC001410651608 889695698 /nfs/dbraw/zinc/69/56/98/889695698.db2.gz WXPWWGWFQWZJAV-VIFPVBQESA-N 0 3 294.319 -2.213 20 0 CAADHN C[C@H](O)CN[C@@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001410663599 889698164 /nfs/dbraw/zinc/69/81/64/889698164.db2.gz BLRZZLDRZKYNPR-DTWKUNHWSA-N 0 3 282.362 -2.131 20 0 CAADHN O=C(C[C@H]1CCCS1(=O)=O)NC[C@H](CO)NCCO ZINC001410700769 889701286 /nfs/dbraw/zinc/70/12/86/889701286.db2.gz RJIHXVFSDHYHLX-NXEZZACHSA-N 0 3 294.373 -1.987 20 0 CAADHN O=C(C[C@@H]1CCCS1(=O)=O)NC[C@@H](CO)NCCO ZINC001410700774 889702295 /nfs/dbraw/zinc/70/22/95/889702295.db2.gz RJIHXVFSDHYHLX-UWVGGRQHSA-N 0 3 294.373 -1.987 20 0 CAADHN O=C(C[C@@H]1CCCS1(=O)=O)NC[C@H](CO)NCCO ZINC001410700783 889703385 /nfs/dbraw/zinc/70/33/85/889703385.db2.gz RJIHXVFSDHYHLX-ZJUUUORDSA-N 0 3 294.373 -1.987 20 0 CAADHN O=C(C[C@H]1CCCS1(=O)=O)NC[C@@H](CO)NCCO ZINC001410700779 889703595 /nfs/dbraw/zinc/70/35/95/889703595.db2.gz RJIHXVFSDHYHLX-VHSXEESVSA-N 0 3 294.373 -1.987 20 0 CAADHN Cn1nccc1CN[C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001410766680 889708748 /nfs/dbraw/zinc/70/87/48/889708748.db2.gz GZONHBUXRHAEBB-MRVPVSSYSA-N 0 3 279.304 -1.581 20 0 CAADHN Cn1nccc1CN[C@H](CO)CNC(=O)c1nnc[nH]1 ZINC001410766690 889711399 /nfs/dbraw/zinc/71/13/99/889711399.db2.gz GZONHBUXRHAEBB-QMMMGPOBSA-N 0 3 279.304 -1.581 20 0 CAADHN CCNC(=O)CN[C@@H](CO)CNC(=O)CN1CCCC1 ZINC001410780354 889713712 /nfs/dbraw/zinc/71/37/12/889713712.db2.gz FFQRERRNXUULKX-LLVKDONJSA-N 0 3 286.376 -1.715 20 0 CAADHN Cn1nncc1CN[C@@H](CO)CNC(=O)CN1CCCC1 ZINC001410790905 889716754 /nfs/dbraw/zinc/71/67/54/889716754.db2.gz QDKSWTFSNJZREI-LLVKDONJSA-N 0 3 296.375 -1.522 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)Cn1ccnc1C ZINC001410795969 889716906 /nfs/dbraw/zinc/71/69/06/889716906.db2.gz YIAACANIKPPPAY-JTQLQIEISA-N 0 3 283.332 -1.996 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001410805464 889717185 /nfs/dbraw/zinc/71/71/85/889717185.db2.gz RMDWNFSQCJZCPF-SCZZXKLOSA-N 0 3 270.333 -1.471 20 0 CAADHN Cc1nc(C)c(CC(=O)NC[C@@H](CO)[NH2+]CCO)c(=O)[n-]1 ZINC001410795594 889717637 /nfs/dbraw/zinc/71/76/37/889717637.db2.gz XEOQDVMPSRGGOF-JTQLQIEISA-N 0 3 298.343 -1.599 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cn2cnnn2)[C@@H]1C ZINC001410818292 889718068 /nfs/dbraw/zinc/71/80/68/889718068.db2.gz MDIJKMYLGCRDDT-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCn2ccnn2)[C@@H]1C ZINC001410813673 889718660 /nfs/dbraw/zinc/71/86/60/889718660.db2.gz KYMKCBALDSELDO-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC001410818296 889719524 /nfs/dbraw/zinc/71/95/24/889719524.db2.gz MDIJKMYLGCRDDT-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)CCCC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001410844214 889722224 /nfs/dbraw/zinc/72/22/24/889722224.db2.gz IHDYETBMHJRMCN-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CN(C(=O)CN1CCCC1)C1CN(C(=O)CNC(N)=O)C1 ZINC001410886037 889722613 /nfs/dbraw/zinc/72/26/13/889722613.db2.gz NNDBLVDPYBDQDJ-UHFFFAOYSA-N 0 3 297.359 -1.580 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1C[C@H](NCCF)C[C@@H]1C ZINC001410863537 889722895 /nfs/dbraw/zinc/72/28/95/889722895.db2.gz NBOLHECTSGPDHW-DTWKUNHWSA-N 0 3 296.368 -1.411 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001410853926 889723160 /nfs/dbraw/zinc/72/31/60/889723160.db2.gz KRGOBPGXUYTVEM-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](N[C@H](C)C(N)=O)C(C)(C)C1 ZINC001410941070 889724432 /nfs/dbraw/zinc/72/44/32/889724432.db2.gz LJMCWJANDBRPCE-SCZZXKLOSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)Cn2ncnn2)CC1(C)C ZINC001410954175 889724646 /nfs/dbraw/zinc/72/46/46/889724646.db2.gz YGPPEAZHGFZRLD-SECBINFHSA-N 0 3 295.347 -1.754 20 0 CAADHN CO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001410982277 889724993 /nfs/dbraw/zinc/72/49/93/889724993.db2.gz MWDQQENHURLPCQ-YUMQZZPRSA-N 0 3 290.320 -2.375 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)C1=COCCO1)C(N)=O ZINC001410974650 889725133 /nfs/dbraw/zinc/72/51/33/889725133.db2.gz HQWFOHJUTRNUKA-RKDXNWHRSA-N 0 3 287.316 -1.843 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cccn1C ZINC001410985710 889725267 /nfs/dbraw/zinc/72/52/67/889725267.db2.gz NHTHQAZRWCLVEU-QWRGUYRKSA-N 0 3 294.355 -1.064 20 0 CAADHN C[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1cccc1 ZINC001410991328 889725413 /nfs/dbraw/zinc/72/54/13/889725413.db2.gz UEHPZFUHBIWCBH-MNOVXSKESA-N 0 3 282.344 -1.057 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C1=CCOCC1 ZINC001410977578 889725656 /nfs/dbraw/zinc/72/56/56/889725656.db2.gz JHWLVZVRATZCLT-NEPJUHHUSA-N 0 3 297.355 -1.370 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnsn1 ZINC001410984443 889725680 /nfs/dbraw/zinc/72/56/80/889725680.db2.gz OKWOBDIOHRISSE-YUMQZZPRSA-N 0 3 299.356 -1.551 20 0 CAADHN Cc1cccnc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001410980789 889725905 /nfs/dbraw/zinc/72/59/05/889725905.db2.gz LTFHTSQEIRHIOG-SNVBAGLBSA-N 0 3 280.328 -1.102 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)C1=CCOCC1 ZINC001410987418 889726113 /nfs/dbraw/zinc/72/61/13/889726113.db2.gz QVPMNYKXZAIBNR-GFCCVEGCSA-N 0 3 299.371 -1.122 20 0 CAADHN Cc1cccnc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001410980784 889726152 /nfs/dbraw/zinc/72/61/52/889726152.db2.gz LTFHTSQEIRHIOG-JTQLQIEISA-N 0 3 280.328 -1.102 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001410979571 889726185 /nfs/dbraw/zinc/72/61/85/889726185.db2.gz JYPXXOOCHZIPSG-WDEREUQCSA-N 0 3 297.359 -1.574 20 0 CAADHN CC[C@H](OC)C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001410972072 889726651 /nfs/dbraw/zinc/72/66/51/889726651.db2.gz FVCIHPVLVVARHG-QWRGUYRKSA-N 0 3 289.376 -1.092 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001410986817 889726716 /nfs/dbraw/zinc/72/67/16/889726716.db2.gz PDIJNSQJOTVWPI-SECBINFHSA-N 0 3 283.332 -1.480 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cccn1C ZINC001410985727 889726827 /nfs/dbraw/zinc/72/68/27/889726827.db2.gz NHTHQAZRWCLVEU-WDEREUQCSA-N 0 3 294.355 -1.064 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](N[C@H](C)C(N)=O)C(C)(C)C1 ZINC001410941064 889727010 /nfs/dbraw/zinc/72/70/10/889727010.db2.gz LJMCWJANDBRPCE-PSASIEDQSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1nccc(C)n1 ZINC001411052419 889728089 /nfs/dbraw/zinc/72/80/89/889728089.db2.gz ARHWETXTBBYSRU-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN Cc1cnn(C)c1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001411079770 889728174 /nfs/dbraw/zinc/72/81/74/889728174.db2.gz BHIUBRPZPWTRTL-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN Cc1ccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)cn1 ZINC001411003027 889728225 /nfs/dbraw/zinc/72/82/25/889728225.db2.gz WHKAFHWHJHKADA-LLVKDONJSA-N 0 3 280.328 -1.102 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)c1ccoc1 ZINC001411006172 889728380 /nfs/dbraw/zinc/72/83/80/889728380.db2.gz ZDTDAWZGLAULNW-SECBINFHSA-N 0 3 298.299 -1.503 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001411083386 889728483 /nfs/dbraw/zinc/72/84/83/889728483.db2.gz VAYGPGIEPSORKY-QMMMGPOBSA-N 0 3 284.320 -2.416 20 0 CAADHN Cc1ccn(C)c1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001411086614 889728522 /nfs/dbraw/zinc/72/85/22/889728522.db2.gz XANNODSRVRYBKO-SNVBAGLBSA-N 0 3 282.344 -1.159 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)c1ncc[nH]1 ZINC001411069154 889728749 /nfs/dbraw/zinc/72/87/49/889728749.db2.gz OXFQTQBFJQZGGG-JTQLQIEISA-N 0 3 295.343 -1.289 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccncc1 ZINC001411001486 889729069 /nfs/dbraw/zinc/72/90/69/889729069.db2.gz ISNYIKGUAWPPJK-VXGBXAGGSA-N 0 3 292.339 -1.007 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)cnn1 ZINC001411065543 889729109 /nfs/dbraw/zinc/72/91/09/889729109.db2.gz JIKIARGUURMJPE-GXSJLCMTSA-N 0 3 295.343 -1.319 20 0 CAADHN CCCc1n[nH]cc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001411057908 889729143 /nfs/dbraw/zinc/72/91/43/889729143.db2.gz KNUBXGDWAONSTD-VIFPVBQESA-N 0 3 297.359 -1.130 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cnccn1)C(N)=O ZINC001411013104 889729191 /nfs/dbraw/zinc/72/91/91/889729191.db2.gz RVLDVXTUPXXTQN-VHSXEESVSA-N 0 3 295.343 -1.237 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)cnn1 ZINC001411065582 889729333 /nfs/dbraw/zinc/72/93/33/889729333.db2.gz JIKIARGUURMJPE-ONGXEEELSA-N 0 3 295.343 -1.319 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001410999162 889729352 /nfs/dbraw/zinc/72/93/52/889729352.db2.gz YXCFQDMGVLZEHR-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1ccncc1 ZINC001411070706 889729540 /nfs/dbraw/zinc/72/95/40/889729540.db2.gz YFZQUITXHYSBDD-GFCCVEGCSA-N 0 3 294.355 -1.092 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)c1ccoc1 ZINC001411006177 889729761 /nfs/dbraw/zinc/72/97/61/889729761.db2.gz ZDTDAWZGLAULNW-VIFPVBQESA-N 0 3 298.299 -1.503 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)cnn1 ZINC001411065557 889729998 /nfs/dbraw/zinc/72/99/98/889729998.db2.gz JIKIARGUURMJPE-KOLCDFICSA-N 0 3 295.343 -1.319 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)CC1(O)CCC1)C(N)=O ZINC001411072079 889730139 /nfs/dbraw/zinc/73/01/39/889730139.db2.gz QGDMMKYDEWFVIK-NXEZZACHSA-N 0 3 287.360 -1.426 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cnccn1)C(N)=O ZINC001411013093 889730370 /nfs/dbraw/zinc/73/03/70/889730370.db2.gz RVLDVXTUPXXTQN-UWVGGRQHSA-N 0 3 295.343 -1.237 20 0 CAADHN C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001411080242 889731103 /nfs/dbraw/zinc/73/11/03/889731103.db2.gz OQWJGNTVHROICG-RKDXNWHRSA-N 0 3 284.316 -1.415 20 0 CAADHN CN(C[C@H](O)CNCc1cnon1)C(=O)Cc1ncn[nH]1 ZINC001411143099 889732198 /nfs/dbraw/zinc/73/21/98/889732198.db2.gz LPAVVPXBSOQDOO-SECBINFHSA-N 0 3 295.303 -1.661 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@H]1CCCOC1 ZINC001411132307 889732794 /nfs/dbraw/zinc/73/27/94/889732794.db2.gz YUCYGLZSTCBXTR-MNOVXSKESA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001411125901 889733419 /nfs/dbraw/zinc/73/34/19/889733419.db2.gz MOOMMRIQHLDWQH-QWRGUYRKSA-N 0 3 297.359 -1.574 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)Cc1cnoc1 ZINC001411088934 889733583 /nfs/dbraw/zinc/73/35/83/889733583.db2.gz LOMNPBHASQWEER-WDEREUQCSA-N 0 3 296.327 -1.486 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccnnc1 ZINC001411088371 889733988 /nfs/dbraw/zinc/73/39/88/889733988.db2.gz BMMJSZHXKOMRRP-JTQLQIEISA-N 0 3 281.316 -1.755 20 0 CAADHN Cc1nc(C)c(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)[nH]1 ZINC001411088649 889734192 /nfs/dbraw/zinc/73/41/92/889734192.db2.gz DQCABHLPOBWIET-PSASIEDQSA-N 0 3 297.359 -1.077 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001411125873 889734464 /nfs/dbraw/zinc/73/44/64/889734464.db2.gz MOOMMRIQHLDWQH-GHMZBOCLSA-N 0 3 297.359 -1.574 20 0 CAADHN Cc1nc(C)c(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)[nH]1 ZINC001411088674 889734556 /nfs/dbraw/zinc/73/45/56/889734556.db2.gz DQCABHLPOBWIET-WPRPVWTQSA-N 0 3 297.359 -1.077 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001411125745 889735047 /nfs/dbraw/zinc/73/50/47/889735047.db2.gz KYXAXZXKDRWMHM-SNVBAGLBSA-N 0 3 295.343 -1.413 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@H]1CCCOC1 ZINC001411132302 889735148 /nfs/dbraw/zinc/73/51/48/889735148.db2.gz YUCYGLZSTCBXTR-GHMZBOCLSA-N 0 3 287.360 -1.303 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001411096252 889735266 /nfs/dbraw/zinc/73/52/66/889735266.db2.gz COJXLQLOTGZBRF-HTQZYQBOSA-N 0 3 284.320 -2.289 20 0 CAADHN Cc1nccn1CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001411121520 889735306 /nfs/dbraw/zinc/73/53/06/889735306.db2.gz DMSINTSCVAMLPH-ONGXEEELSA-N 0 3 297.359 -1.526 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001411150577 889736509 /nfs/dbraw/zinc/73/65/09/889736509.db2.gz WTUMJWHNJOTMHI-WCBMZHEXSA-N 0 3 296.327 -1.317 20 0 CAADHN C[C@H](C(=O)N(C)C[C@H](O)CN(C)CCO)n1cncn1 ZINC001411167233 889738721 /nfs/dbraw/zinc/73/87/21/889738721.db2.gz YEXHGKXKKLIMEU-GHMZBOCLSA-N 0 3 285.348 -1.418 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001411165226 889739043 /nfs/dbraw/zinc/73/90/43/889739043.db2.gz UFWPDUCFILSFAO-SECBINFHSA-N 0 3 285.348 -1.641 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001411150576 889739293 /nfs/dbraw/zinc/73/92/93/889739293.db2.gz WTUMJWHNJOTMHI-SCZZXKLOSA-N 0 3 296.327 -1.317 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001411167416 889739339 /nfs/dbraw/zinc/73/93/39/889739339.db2.gz CXRRSBYHHHXEII-UWVGGRQHSA-N 0 3 289.332 -1.508 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@H](O)CN(C)[C@H](C)C(N)=O)[nH]1 ZINC001411162153 889740204 /nfs/dbraw/zinc/74/02/04/889740204.db2.gz HZBNHSBHFKHVDP-PSASIEDQSA-N 0 3 297.359 -1.043 20 0 CAADHN COc1cnc(C(=O)N(C)C[C@H](O)CN(C)CCO)nc1 ZINC001411167155 889740384 /nfs/dbraw/zinc/74/03/84/889740384.db2.gz OFZVWMWFJOZYCF-SNVBAGLBSA-N 0 3 298.343 -1.158 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001411188945 889742415 /nfs/dbraw/zinc/74/24/15/889742415.db2.gz VRJKPAKFTCXGCR-VIFPVBQESA-N 0 3 276.337 -2.212 20 0 CAADHN COCCN(CCNC(=O)[C@H]1COC(=O)N1)C[C@@H](C)O ZINC001411224532 889743162 /nfs/dbraw/zinc/74/31/62/889743162.db2.gz DNCLGIVHDYTKIV-NXEZZACHSA-N 0 3 289.332 -1.460 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001411177338 889743188 /nfs/dbraw/zinc/74/31/88/889743188.db2.gz CLNZNCVGUFEIJS-BDAKNGLRSA-N 0 3 274.321 -2.589 20 0 CAADHN COCCN(CCNC(=O)[C@@H]1COCCO1)C[C@@H](C)O ZINC001411213000 889743274 /nfs/dbraw/zinc/74/32/74/889743274.db2.gz AIYSEXRXQJTLMF-NEPJUHHUSA-N 0 3 290.360 -1.153 20 0 CAADHN COCCN(CCNC(=O)c1cnn(C)n1)C[C@@H](C)O ZINC001411227362 889743563 /nfs/dbraw/zinc/74/35/63/889743563.db2.gz YZGYQQBCIOIGCQ-SNVBAGLBSA-N 0 3 285.348 -1.126 20 0 CAADHN COCCN(CCNC(=O)[C@H]1COCCO1)C[C@@H](C)O ZINC001411213006 889743815 /nfs/dbraw/zinc/74/38/15/889743815.db2.gz AIYSEXRXQJTLMF-VXGBXAGGSA-N 0 3 290.360 -1.153 20 0 CAADHN COCCN(CCNC(=O)[C@@H]1COCCO1)C[C@H](C)O ZINC001411213004 889743934 /nfs/dbraw/zinc/74/39/34/889743934.db2.gz AIYSEXRXQJTLMF-RYUDHWBXSA-N 0 3 290.360 -1.153 20 0 CAADHN COCCN(CCNC(=O)[C@H]1COC(=O)N1)C[C@H](C)O ZINC001411224539 889744614 /nfs/dbraw/zinc/74/46/14/889744614.db2.gz DNCLGIVHDYTKIV-VHSXEESVSA-N 0 3 289.332 -1.460 20 0 CAADHN COCCN(CCNC(=O)[C@H]1COCCO1)C[C@H](C)O ZINC001411213003 889745542 /nfs/dbraw/zinc/74/55/42/889745542.db2.gz AIYSEXRXQJTLMF-NWDGAFQWSA-N 0 3 290.360 -1.153 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N1CCNC(C)(C)C1 ZINC001411883513 889767873 /nfs/dbraw/zinc/76/78/73/889767873.db2.gz KQPXJJNLIJRQIG-VIFPVBQESA-N 0 3 295.347 -1.612 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H](O)c1cnn(C)c1 ZINC001412044668 889785056 /nfs/dbraw/zinc/78/50/56/889785056.db2.gz SNVTTXKTDVFZSI-LLVKDONJSA-N 0 3 270.333 -1.116 20 0 CAADHN Nc1nnn(CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)n1 ZINC001412109997 889793783 /nfs/dbraw/zinc/79/37/83/889793783.db2.gz NJAJQQBIOCPEQG-RKDXNWHRSA-N 0 3 281.320 -2.077 20 0 CAADHN NC(=O)c1ncn(CC(=O)N[C@@H](CO)CN2CCCC2)n1 ZINC001412197639 889798941 /nfs/dbraw/zinc/79/89/41/889798941.db2.gz XQUIPCVROGKKQQ-SECBINFHSA-N 0 3 296.331 -2.050 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1nnc(N)n1 ZINC001412268161 889808660 /nfs/dbraw/zinc/80/86/60/889808660.db2.gz MLTFYCNLVWDMMO-MRVPVSSYSA-N 0 3 296.335 -2.166 20 0 CAADHN C[C@@H](C(=O)NCc1n[nH]c(CO)n1)N1CCN(C)CC1 ZINC001412362669 889815014 /nfs/dbraw/zinc/81/50/14/889815014.db2.gz HRCGBLVEGZKSLT-VIFPVBQESA-N 0 3 282.348 -1.451 20 0 CAADHN CN(C)CCn1nccc1C(=O)N1CC(O)(C(N)=O)C1 ZINC001412402704 889821890 /nfs/dbraw/zinc/82/18/90/889821890.db2.gz PDBBIZLNSMBMLI-UHFFFAOYSA-N 0 3 281.316 -1.883 20 0 CAADHN CN(CC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)C1CCC1 ZINC001412413617 889828684 /nfs/dbraw/zinc/82/86/84/889828684.db2.gz WZYULROSKJOAQM-NXEZZACHSA-N 0 3 282.344 -1.484 20 0 CAADHN O=C(NC[C@@]1(CO)COCCN1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001412462210 889834595 /nfs/dbraw/zinc/83/45/95/889834595.db2.gz PBKXPGPCUIZJCC-GIPNMCIBSA-N 0 3 280.328 -1.020 20 0 CAADHN NC(=O)Cn1cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)nn1 ZINC001412692213 889866174 /nfs/dbraw/zinc/86/61/74/889866174.db2.gz HWSDCRNLTMQSRD-MRVPVSSYSA-N 0 3 294.315 -2.034 20 0 CAADHN COCC(=O)NCCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001412683542 889866968 /nfs/dbraw/zinc/86/69/68/889866968.db2.gz AYRMZYSDJNKIJR-JTQLQIEISA-N 0 3 285.344 -1.272 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](CO)NC(=O)CN(C)C(C)C ZINC001412786803 889888370 /nfs/dbraw/zinc/88/83/70/889888370.db2.gz CDCPDXZXYPOZKU-QWRGUYRKSA-N 0 3 289.376 -1.045 20 0 CAADHN CC(C)(CNC(N)=O)NC(=O)[C@H]1CN2CCN1CCC2 ZINC001412891054 889903377 /nfs/dbraw/zinc/90/33/77/889903377.db2.gz NGNFKMPICXCXQP-SNVBAGLBSA-N 0 3 283.376 -1.061 20 0 CAADHN CNC(=O)CN1CCCN(c2nc(N)nc(N)n2)CC1 ZINC001412914860 889908285 /nfs/dbraw/zinc/90/82/85/889908285.db2.gz ANFBJXYYYAEWAN-UHFFFAOYSA-N 0 3 280.336 -1.706 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c1ncc[nH]1)N(C)C ZINC001412924541 889911214 /nfs/dbraw/zinc/91/12/14/889911214.db2.gz OBJRJDZCPVVONC-ZJUUUORDSA-N 0 3 297.359 -1.043 20 0 CAADHN OC[C@@H]1C[C@H](O)CN1C[C@@H](O)CC1(O)CCOCC1 ZINC001412972378 889920513 /nfs/dbraw/zinc/92/05/13/889920513.db2.gz XLYCHKJZVCECIV-SRVKXCTJSA-N 0 3 275.345 -1.294 20 0 CAADHN OC[C@@H]1C[C@@H](O)CN1C[C@@H](O)CC1(O)CCOCC1 ZINC001412972382 889921234 /nfs/dbraw/zinc/92/12/34/889921234.db2.gz XLYCHKJZVCECIV-TUAOUCFPSA-N 0 3 275.345 -1.294 20 0 CAADHN CON1CC[C@@H](N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001413031755 889926564 /nfs/dbraw/zinc/92/65/64/889926564.db2.gz XLEBYESQXCEWRL-GJMOJQLCSA-N 0 3 270.289 -2.333 20 0 CAADHN NS(=O)(=O)C[C@H]1CCN(CCN2CCNC2=O)C1 ZINC001413068043 889935165 /nfs/dbraw/zinc/93/51/65/889935165.db2.gz PWIMOYXZCYVJKD-VIFPVBQESA-N 0 3 276.362 -1.378 20 0 CAADHN O=C1NC[C@H](O)CC12CCN(CCn1cnnn1)CC2 ZINC001413069863 889935669 /nfs/dbraw/zinc/93/56/69/889935669.db2.gz YTXKDWVHDBHPRI-SNVBAGLBSA-N 0 3 280.332 -1.364 20 0 CAADHN COC(=O)[C@](C)(O)CN1CC[C@@H](CS(N)(=O)=O)C1 ZINC001413066569 889937276 /nfs/dbraw/zinc/93/72/76/889937276.db2.gz MSQORFALDNNLGN-PSASIEDQSA-N 0 3 280.346 -1.479 20 0 CAADHN O=C1NC[C@@H](O)CC12CCN(CCn1cnnn1)CC2 ZINC001413069856 889937647 /nfs/dbraw/zinc/93/76/47/889937647.db2.gz YTXKDWVHDBHPRI-JTQLQIEISA-N 0 3 280.332 -1.364 20 0 CAADHN NC(=O)NC(=O)CCN1CCN(Cc2nnc[nH]2)CC1 ZINC001413065901 889937802 /nfs/dbraw/zinc/93/78/02/889937802.db2.gz AUXYZEGIWIIIDC-UHFFFAOYSA-N 0 3 281.320 -1.493 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CNC(=O)C2)CC1=O ZINC001413119975 889940913 /nfs/dbraw/zinc/94/09/13/889940913.db2.gz YJJZMTQDNLTMFW-MNOVXSKESA-N 0 3 296.371 -1.351 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001413204884 889945591 /nfs/dbraw/zinc/94/55/91/889945591.db2.gz WILCJGSMQSBERJ-JTQLQIEISA-N 0 3 298.343 -1.157 20 0 CAADHN Cn1nc2c(c1CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)CCC2 ZINC001413233501 889949162 /nfs/dbraw/zinc/94/91/62/889949162.db2.gz ANMVDJUIIHPBCQ-NXEZZACHSA-N 0 3 291.355 -1.073 20 0 CAADHN Cn1cc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(=O)[nH]c1=O ZINC001413227033 889950943 /nfs/dbraw/zinc/95/09/43/889950943.db2.gz QLBBCOCVKYDBBW-DTWKUNHWSA-N 0 3 294.311 -1.623 20 0 CAADHN CC(C)(O)[C@H](O)CN(CCO)CCN1CCOCC1 ZINC001413964542 890034106 /nfs/dbraw/zinc/03/41/06/890034106.db2.gz RHKDPACEZSXFSK-GFCCVEGCSA-N 0 3 276.377 -1.255 20 0 CAADHN O=C(N[C@@]12CCN(C1)CCC2)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001413454137 889989032 /nfs/dbraw/zinc/98/90/32/889989032.db2.gz MZWNRJPGRZWFCY-BYNQJWBRSA-N 0 3 282.340 -1.246 20 0 CAADHN CCS(=O)(=O)NCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001413693314 890006484 /nfs/dbraw/zinc/00/64/84/890006484.db2.gz SAXPGEJHQUDCKO-SECBINFHSA-N 0 3 291.373 -1.485 20 0 CAADHN CCS(=O)(=O)NCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001413693319 890007687 /nfs/dbraw/zinc/00/76/87/890007687.db2.gz SAXPGEJHQUDCKO-VIFPVBQESA-N 0 3 291.373 -1.485 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@H]2CC(C(N)=O)=NO2)C1 ZINC001413808468 890014004 /nfs/dbraw/zinc/01/40/04/890014004.db2.gz DNNZIIVVUJSXBG-PELKAZGASA-N 0 3 299.331 -2.018 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CNC(=O)C2)C1 ZINC001413862985 890020508 /nfs/dbraw/zinc/02/05/08/890020508.db2.gz YIQKYVBEEPBZHL-JOYOIKCWSA-N 0 3 270.333 -1.512 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@H]2CNC(=O)C2)C1 ZINC001413862996 890020873 /nfs/dbraw/zinc/02/08/73/890020873.db2.gz YIQKYVBEEPBZHL-SKDRFNHKSA-N 0 3 270.333 -1.512 20 0 CAADHN O=C(NC[C@@H]1CNC(=O)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001413862435 890021598 /nfs/dbraw/zinc/02/15/98/890021598.db2.gz WCRHJYQSLWHKAC-GARJFASQSA-N 0 3 282.344 -1.417 20 0 CAADHN O=C(NC[C@H]1CNC(=O)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001413862438 890022137 /nfs/dbraw/zinc/02/21/37/890022137.db2.gz WCRHJYQSLWHKAC-OUAUKWLOSA-N 0 3 282.344 -1.417 20 0 CAADHN COCCN(CCO)CCc1cn(CC(=O)OC)nn1 ZINC001413952787 890031951 /nfs/dbraw/zinc/03/19/51/890031951.db2.gz QRSMDZPYNAFHPA-UHFFFAOYSA-N 0 3 286.332 -1.066 20 0 CAADHN C[C@H](NC(=O)NC[C@@]1(O)CCN(C)C1)C1N=NC(=O)N1C ZINC001413958297 890032302 /nfs/dbraw/zinc/03/23/02/890032302.db2.gz SGNQTWFUBDKVQE-UFBFGSQYSA-N 0 3 298.347 -1.053 20 0 CAADHN C[C@@H](NC(=O)NC[C@@]1(O)CCN(C)C1)C1N=NC(=O)N1C ZINC001413958271 890033247 /nfs/dbraw/zinc/03/32/47/890033247.db2.gz SGNQTWFUBDKVQE-PELKAZGASA-N 0 3 298.347 -1.053 20 0 CAADHN C[C@@H](NC(=O)NC[C@]1(O)CCN(C)C1)C1N=NC(=O)N1C ZINC001413958282 890033325 /nfs/dbraw/zinc/03/33/25/890033325.db2.gz SGNQTWFUBDKVQE-PRHODGIISA-N 0 3 298.347 -1.053 20 0 CAADHN NC(=O)COC1CCN(CCCS(N)(=O)=O)CC1 ZINC001413962236 890033438 /nfs/dbraw/zinc/03/34/38/890033438.db2.gz HVQZZLBRBTUHGL-UHFFFAOYSA-N 0 3 279.362 -1.369 20 0 CAADHN NC(=O)N1CCCN(C[C@H](O)C2(O)CCOCC2)CC1 ZINC001413956826 890033575 /nfs/dbraw/zinc/03/35/75/890033575.db2.gz NXFWTHPKKIYGEZ-NSHDSACASA-N 0 3 287.360 -1.025 20 0 CAADHN CC(C)(O)CN1CC[C@H](NCc2cn(CC(N)=O)nn2)C1 ZINC001414114071 890045650 /nfs/dbraw/zinc/04/56/50/890045650.db2.gz ZWHXKGYABHCQLY-JTQLQIEISA-N 0 3 296.375 -1.302 20 0 CAADHN C[C@@H](CNCc1cn(CC(N)=O)nn1)CN1CCOCC1 ZINC001414093595 890045773 /nfs/dbraw/zinc/04/57/73/890045773.db2.gz WGFXHLIEEYKQRM-NSHDSACASA-N 0 3 296.375 -1.179 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001414541400 890065276 /nfs/dbraw/zinc/06/52/76/890065276.db2.gz MASDJPLPWPQFDB-SNVBAGLBSA-N 0 3 297.359 -1.532 20 0 CAADHN CCN(CC)CC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C1 ZINC001414931334 890080251 /nfs/dbraw/zinc/08/02/51/890080251.db2.gz IVAIONYZWMCQIN-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](C)NC(=O)CNC(N)=O)N(C)C ZINC001415219093 890086985 /nfs/dbraw/zinc/08/69/85/890086985.db2.gz JKPRLFNQBDDOPW-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)CNC(N)=O ZINC001415186057 890087781 /nfs/dbraw/zinc/08/77/81/890087781.db2.gz FJROYIGAFCKTEO-SECBINFHSA-N 0 3 287.364 -1.384 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](C)NC(=O)c1nnn(C)n1)N(C)C ZINC001415221513 890088075 /nfs/dbraw/zinc/08/80/75/890088075.db2.gz YQFALPQNEDQBCL-BDAKNGLRSA-N 0 3 297.363 -1.215 20 0 CAADHN CC[C@H](C(=O)NC[C@H](C)NC(=O)CNC(N)=O)N(C)C ZINC001415219094 890088162 /nfs/dbraw/zinc/08/81/62/890088162.db2.gz JKPRLFNQBDDOPW-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CC(=O)NCC(=O)NCCN(C)C(=O)CN1CCCC1 ZINC001415441248 890094715 /nfs/dbraw/zinc/09/47/15/890094715.db2.gz XHVGBVVIIZAWLC-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN COC(=O)NCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001415973359 890106518 /nfs/dbraw/zinc/10/65/18/890106518.db2.gz QPAJFQBTRXYQEB-UHFFFAOYSA-N 0 3 298.343 -1.235 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)Cn2nccn2)C1 ZINC001416031005 890108672 /nfs/dbraw/zinc/10/86/72/890108672.db2.gz MBYRPYVBVGCABR-UHFFFAOYSA-N 0 3 294.359 -1.053 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c1cnon1)N(C)C ZINC001416773963 890126716 /nfs/dbraw/zinc/12/67/16/890126716.db2.gz FHUFSXHQHBOIRQ-SCZZXKLOSA-N 0 3 299.331 -1.383 20 0 CAADHN C[C@@H](CNC(=O)CNC(N)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001416950779 890135679 /nfs/dbraw/zinc/13/56/79/890135679.db2.gz QNQVEYCIFXVGGN-ZJUUUORDSA-N 0 3 299.375 -1.383 20 0 CAADHN CC(C)(C)[S@](=O)CCNC(=O)[C@H](CO)NC(N)=O ZINC001417643948 890149798 /nfs/dbraw/zinc/14/97/98/890149798.db2.gz MFLLKDOLJDGSIN-ULCDLSAGSA-N 0 3 279.362 -1.321 20 0 CAADHN NC(=O)CN1CCC[C@H](NC(=O)c2ns[nH]c2=O)C1 ZINC001417637734 890149815 /nfs/dbraw/zinc/14/98/15/890149815.db2.gz JKTWUIJIJNMLDF-LURJTMIESA-N 0 3 285.329 -1.077 20 0 CAADHN NS(=O)(=O)C1(C(=O)N[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001417645547 890149843 /nfs/dbraw/zinc/14/98/43/890149843.db2.gz VBGACYIREYGJTH-SSDOTTSWSA-N 0 3 296.370 -1.499 20 0 CAADHN COC[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c(=O)c2N)CCO1 ZINC001417646510 890149853 /nfs/dbraw/zinc/14/98/53/890149853.db2.gz IIPYUWMULFODMA-LURJTMIESA-N 0 3 284.272 -1.043 20 0 CAADHN COCCN(C(=O)CCC(N)=O)[C@H]1CCS(=O)(=O)C1 ZINC001417638278 890149894 /nfs/dbraw/zinc/14/98/94/890149894.db2.gz BFPCKSRNEZCDCF-VIFPVBQESA-N 0 3 292.357 -1.086 20 0 CAADHN CN(CCNS(C)(=O)=O)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001417640914 890149906 /nfs/dbraw/zinc/14/99/06/890149906.db2.gz RBFJNAVHWYTRHQ-VIFPVBQESA-N 0 3 291.373 -1.090 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CN(C)CCN1C ZINC001417641656 890149966 /nfs/dbraw/zinc/14/99/66/890149966.db2.gz GHRRTMMUZQYZHF-LLVKDONJSA-N 0 3 299.375 -2.399 20 0 CAADHN NC(=O)CCNC(=O)CS[C@@H]1CCS(=O)(=O)C1 ZINC001417648503 890150010 /nfs/dbraw/zinc/15/00/10/890150010.db2.gz IGEGDXOXYPZXEZ-SSDOTTSWSA-N 0 3 280.371 -1.102 20 0 CAADHN C[C@H](CN1CCN(C)CC1)NC(=O)[C@]1(O)CCOC1 ZINC001417639167 890150031 /nfs/dbraw/zinc/15/00/31/890150031.db2.gz VTUHCCUNNTVNCP-YPMHNXCESA-N 0 3 271.361 -1.110 20 0 CAADHN Cn1cnnc1COCC(=O)N1CCn2cnnc2C1 ZINC001417638690 890150142 /nfs/dbraw/zinc/15/01/42/890150142.db2.gz KRXGNVJFNWCXOZ-UHFFFAOYSA-N 0 3 277.288 -1.034 20 0 CAADHN C[C@@H](CN1CCN(C)CC1)NC(=O)[C@]1(O)CCOC1 ZINC001417639164 890150165 /nfs/dbraw/zinc/15/01/65/890150165.db2.gz VTUHCCUNNTVNCP-AAEUAGOBSA-N 0 3 271.361 -1.110 20 0 CAADHN NC(=O)CCNC(=O)CS[C@H]1CCS(=O)(=O)C1 ZINC001417648617 890150503 /nfs/dbraw/zinc/15/05/03/890150503.db2.gz IGEGDXOXYPZXEZ-ZETCQYMHSA-N 0 3 280.371 -1.102 20 0 CAADHN NC(=O)[C@H]1CCN(C(=O)[C@@H]2CCC3N=NC(=O)N3C2)C1 ZINC001417638446 890150200 /nfs/dbraw/zinc/15/02/00/890150200.db2.gz HCMKCOYIODDCEL-JGVFFNPUSA-N 0 3 279.300 -1.120 20 0 CAADHN CCN1CCN([C@@H](C)CNC(=O)C2(O)COC2)CC1 ZINC001417637220 890150236 /nfs/dbraw/zinc/15/02/36/890150236.db2.gz NNWSRWAVJYDPKH-NSHDSACASA-N 0 3 271.361 -1.110 20 0 CAADHN Cn1cnnc1CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001417639545 890150283 /nfs/dbraw/zinc/15/02/83/890150283.db2.gz FGGDSHZRIMNRNO-UHFFFAOYSA-N 0 3 289.361 -1.198 20 0 CAADHN CNS(=O)(=O)NCC(=O)Nc1ccnc2ccnn21 ZINC001417650911 890150298 /nfs/dbraw/zinc/15/02/98/890150298.db2.gz YTDKPKJFFGVQPK-UHFFFAOYSA-N 0 3 284.301 -1.278 20 0 CAADHN NC(=O)[C@@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001417638447 890150353 /nfs/dbraw/zinc/15/03/53/890150353.db2.gz HCMKCOYIODDCEL-SFYZADRCSA-N 0 3 279.300 -1.120 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NC(=O)Cn1cnnn1)C[C@H](C)O ZINC001417649785 890150359 /nfs/dbraw/zinc/15/03/59/890150359.db2.gz PYOQXGVLVXILPE-UTLUCORTSA-N 0 3 298.347 -1.299 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001417637927 890150366 /nfs/dbraw/zinc/15/03/66/890150366.db2.gz QEQZBKYCGBLAJG-SFYZADRCSA-N 0 3 295.303 -2.475 20 0 CAADHN CCN1CCN(CCNC(=O)Cn2nnc(N)n2)CC1 ZINC001417637446 890150463 /nfs/dbraw/zinc/15/04/63/890150463.db2.gz WTXGIVIAPMWTFC-UHFFFAOYSA-N 0 3 282.352 -1.991 20 0 CAADHN O=C(C1=NN(CCO)C(=O)CC1)N1CCn2cnnc2C1 ZINC001417638284 890150655 /nfs/dbraw/zinc/15/06/55/890150655.db2.gz BIWNHGHBRXDTOG-UHFFFAOYSA-N 0 3 292.299 -1.409 20 0 CAADHN Cc1nn(CC(=O)N[C@H]2CCN(C(N)=O)C2)c(=O)n1C ZINC001417637448 890150666 /nfs/dbraw/zinc/15/06/66/890150666.db2.gz WYBVPALVVJNULG-QMMMGPOBSA-N 0 3 282.304 -1.841 20 0 CAADHN C[C@@H](CNC(=O)Cn1nnc(N)n1)N1CCN(C)CC1 ZINC001417636730 890150672 /nfs/dbraw/zinc/15/06/72/890150672.db2.gz RSQYBBLKELQSLM-VIFPVBQESA-N 0 3 282.352 -1.993 20 0 CAADHN CCc1nncn1CCNC(=O)C1(S(N)(=O)=O)CC1 ZINC001417647968 890150689 /nfs/dbraw/zinc/15/06/89/890150689.db2.gz BQKWBRGBBAQWLD-UHFFFAOYSA-N 0 3 287.345 -1.222 20 0 CAADHN CN1CC[N@H+](C)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001417642182 890150729 /nfs/dbraw/zinc/15/07/29/890150729.db2.gz YOYHSVFUTSOYMM-SSDOTTSWSA-N 0 3 282.304 -1.742 20 0 CAADHN CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001417642182 890150732 /nfs/dbraw/zinc/15/07/32/890150732.db2.gz YOYHSVFUTSOYMM-SSDOTTSWSA-N 0 3 282.304 -1.742 20 0 CAADHN Cn1cnnc1CCNC(=O)CC1CS(=O)(=O)C1 ZINC001417639486 890150772 /nfs/dbraw/zinc/15/07/72/890150772.db2.gz CLKKTJDTSOQHBO-UHFFFAOYSA-N 0 3 272.330 -1.092 20 0 CAADHN CN(CCCN1CCN(C)CC1)C(=O)c1nnn(C)n1 ZINC001417644357 890150780 /nfs/dbraw/zinc/15/07/80/890150780.db2.gz CBGSTNLHGUTGNS-UHFFFAOYSA-N 0 3 281.364 -1.080 20 0 CAADHN C[C@@H]1[C@H](C)N(C(=O)Cn2cnc(N)n2)CCS1(=O)=O ZINC001417649053 890150989 /nfs/dbraw/zinc/15/09/89/890150989.db2.gz SVFOMXBHBCQJJF-JGVFFNPUSA-N 0 3 287.345 -1.106 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C(=O)CCNC(=O)CO)C1 ZINC001417640249 890151000 /nfs/dbraw/zinc/15/10/00/890151000.db2.gz CLQATSYYDAZXCZ-QMMMGPOBSA-N 0 3 293.345 -2.365 20 0 CAADHN COC(=O)[C@H](CNC(=O)[C@@H](CO)NC(N)=O)CC(C)C ZINC001417646829 890151012 /nfs/dbraw/zinc/15/10/12/890151012.db2.gz SCZDSIOOMKVPDY-DTWKUNHWSA-N 0 3 289.332 -1.033 20 0 CAADHN Cn1cnnc1CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001417639703 890151017 /nfs/dbraw/zinc/15/10/17/890151017.db2.gz LAQKPJCHQUBAOB-SSDOTTSWSA-N 0 3 273.318 -1.835 20 0 CAADHN Cc1nn(CC(=O)N(C)CCNS(C)(=O)=O)c(=O)o1 ZINC001417640466 890151027 /nfs/dbraw/zinc/15/10/27/890151027.db2.gz HZOMXCBTCJEEEF-UHFFFAOYSA-N 0 3 292.317 -1.848 20 0 CAADHN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)Cn1cnc(N)n1 ZINC001417649052 890151066 /nfs/dbraw/zinc/15/10/66/890151066.db2.gz SVFOMXBHBCQJJF-HTQZYQBOSA-N 0 3 287.345 -1.106 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@H]1CCCNC1=O ZINC001417635837 890151078 /nfs/dbraw/zinc/15/10/78/890151078.db2.gz JDDICKVMSLACGG-SECBINFHSA-N 0 3 271.317 -1.266 20 0 CAADHN Cn1cnnc1CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001417639704 890151101 /nfs/dbraw/zinc/15/11/01/890151101.db2.gz LAQKPJCHQUBAOB-ZETCQYMHSA-N 0 3 273.318 -1.835 20 0 CAADHN NC(=O)CCNC(=O)COCC(=O)NCc1cccnc1 ZINC001417649142 890151180 /nfs/dbraw/zinc/15/11/80/890151180.db2.gz VZUOVZVDTLDAHR-UHFFFAOYSA-N 0 3 294.311 -1.294 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cn(C(F)(F)CO)nn1 ZINC001417773232 890171997 /nfs/dbraw/zinc/17/19/97/890171997.db2.gz IRYHIDQDVFCNAQ-SSDOTTSWSA-N 0 3 293.274 -1.528 20 0 CAADHN CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CNC(=O)NC)n1 ZINC001417820276 890172094 /nfs/dbraw/zinc/17/20/94/890172094.db2.gz IQEKJEYBNSSFBS-UHFFFAOYSA-N 0 3 296.331 -1.163 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cn(C(F)(F)CO)nn1 ZINC001417773248 890172154 /nfs/dbraw/zinc/17/21/54/890172154.db2.gz IRYHIDQDVFCNAQ-ZETCQYMHSA-N 0 3 293.274 -1.528 20 0 CAADHN C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)CCN1C ZINC001417868372 890173868 /nfs/dbraw/zinc/17/38/68/890173868.db2.gz GKEINFNPQHQKNP-FOGDFJRCSA-N 0 3 290.385 -1.008 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001417840745 890174076 /nfs/dbraw/zinc/17/40/76/890174076.db2.gz JEPZRPPVQMRIRI-UTUOFQBUSA-N 0 3 299.371 -1.615 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@@H]3CCC(=O)N3)C2)CC1 ZINC001417879904 890175568 /nfs/dbraw/zinc/17/55/68/890175568.db2.gz OBZFZOQHMOIYOM-LBPRGKRZSA-N 0 3 280.372 -1.029 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@@H](CO)NC(N)=O)C2)CC1 ZINC001417880106 890176877 /nfs/dbraw/zinc/17/68/77/890176877.db2.gz XBPMFHTZZWSWGG-LLVKDONJSA-N 0 3 299.375 -2.279 20 0 CAADHN COCCN1CCN(CCNC(=O)Cc2nc[nH]n2)CC1 ZINC001417928668 890178099 /nfs/dbraw/zinc/17/80/99/890178099.db2.gz PWJMXYGOGQUDRG-UHFFFAOYSA-N 0 3 296.375 -1.273 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001417937639 890181417 /nfs/dbraw/zinc/18/14/17/890181417.db2.gz FZSGNAIZQHEDFA-MNOVXSKESA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H]1CCN(C[C@H](C)O)C1 ZINC001417938867 890181838 /nfs/dbraw/zinc/18/18/38/890181838.db2.gz JBEDNQGJUUIXGP-UWVGGRQHSA-N 0 3 272.349 -1.123 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001417967167 890182948 /nfs/dbraw/zinc/18/29/48/890182948.db2.gz XUTNEYFSAXVDFA-JTQLQIEISA-N 0 3 295.347 -1.754 20 0 CAADHN Cn1cnn(CC(=O)NC[C@@H](NCC(N)=O)C2CC2)c1=O ZINC001417981581 890183199 /nfs/dbraw/zinc/18/31/99/890183199.db2.gz GQIXTSPKGLBMDG-SECBINFHSA-N 0 3 296.331 -2.449 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001418008451 890184348 /nfs/dbraw/zinc/18/43/48/890184348.db2.gz FTTSEQWTRMQCER-QWRGUYRKSA-N 0 3 296.371 -1.162 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](NCC(N)=O)C2CC2)n1 ZINC001417982365 890184391 /nfs/dbraw/zinc/18/43/91/890184391.db2.gz XWQUDRPOOHGVDD-VIFPVBQESA-N 0 3 280.332 -1.119 20 0 CAADHN CCNC(=O)C[NH2+][C@@H](CNC(=O)Cc1nnc[n-]1)C1CC1 ZINC001418003868 890184586 /nfs/dbraw/zinc/18/45/86/890184586.db2.gz NJESCTVCIPEQSG-JTQLQIEISA-N 0 3 294.359 -1.032 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 ZINC001418040462 890184605 /nfs/dbraw/zinc/18/46/05/890184605.db2.gz FTTDFFRNAQKUSD-NSHDSACASA-N 0 3 296.371 -1.209 20 0 CAADHN Cn1c(C(=O)NC[C@H](NCC(N)=O)C2CC2)c[nH]c1=O ZINC001417993410 890184716 /nfs/dbraw/zinc/18/47/16/890184716.db2.gz XPTIUMHCDHJGNQ-QMMMGPOBSA-N 0 3 281.316 -1.291 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001418045762 890184751 /nfs/dbraw/zinc/18/47/51/890184751.db2.gz COTNQLFUZBOLBQ-GUBZILKMSA-N 0 3 282.344 -1.410 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001418001172 890184774 /nfs/dbraw/zinc/18/47/74/890184774.db2.gz GHSVYGTVTGPWEI-ZJUUUORDSA-N 0 3 292.343 -1.280 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CCNC(N)=O)C1CC1 ZINC001418012019 890185099 /nfs/dbraw/zinc/18/50/99/890185099.db2.gz KICWWYHSMIUDAE-MRVPVSSYSA-N 0 3 271.321 -1.986 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001418043398 890185464 /nfs/dbraw/zinc/18/54/64/890185464.db2.gz HXJDHDMDRXVLHJ-OUAUKWLOSA-N 0 3 296.371 -1.068 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001418001170 890185553 /nfs/dbraw/zinc/18/55/53/890185553.db2.gz GHSVYGTVTGPWEI-UWVGGRQHSA-N 0 3 292.343 -1.280 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001418037741 890185596 /nfs/dbraw/zinc/18/55/96/890185596.db2.gz YDYIUMKTAUCKNA-VIFPVBQESA-N 0 3 291.373 -1.690 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001418037292 890185776 /nfs/dbraw/zinc/18/57/76/890185776.db2.gz AINQJWYSMHBLOB-QMMMGPOBSA-N 0 3 279.300 -1.268 20 0 CAADHN Cn1cccc(C(=O)NC[C@@H](NCC(N)=O)C2CC2)c1=O ZINC001418010851 890186314 /nfs/dbraw/zinc/18/63/14/890186314.db2.gz RDZZBUPMXJSIOL-LLVKDONJSA-N 0 3 292.339 -1.031 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001418045777 890185998 /nfs/dbraw/zinc/18/59/98/890185998.db2.gz COTNQLFUZBOLBQ-UTLUCORTSA-N 0 3 282.344 -1.410 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001418040488 890186022 /nfs/dbraw/zinc/18/60/22/890186022.db2.gz HFWPZMQQQUBMDJ-OUAUKWLOSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H]([NH2+][C@H](CNC(=O)Cc1nnc[n-]1)C1CC1)C(N)=O ZINC001418006027 890186093 /nfs/dbraw/zinc/18/60/93/890186093.db2.gz UMZBDBWJIHVGIJ-IONNQARKSA-N 0 3 280.332 -1.295 20 0 CAADHN C[C@@H]([NH2+][C@H](CNC(=O)Cc1nnc[n-]1)C1CC1)C(N)=O ZINC001418006028 890186170 /nfs/dbraw/zinc/18/61/70/890186170.db2.gz UMZBDBWJIHVGIJ-VXNVDRBHSA-N 0 3 280.332 -1.295 20 0 CAADHN CCO[C@H](C)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001418036662 890186363 /nfs/dbraw/zinc/18/63/63/890186363.db2.gz SXLZCXPKGUFKBA-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CN(C)C(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001418074088 890187499 /nfs/dbraw/zinc/18/74/99/890187499.db2.gz QUNVHXPAGDDOTJ-KYZUINATSA-N 0 3 280.332 -1.328 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H]1C[C@H](NCC(N)=O)C1 ZINC001418078111 890188212 /nfs/dbraw/zinc/18/82/12/890188212.db2.gz PYMIQFXOWZZYJP-ZKCHVHJHSA-N 0 3 277.346 -1.857 20 0 CAADHN CCO[C@H](C)C(=O)NC[C@H](C)NCC(=O)NC(=O)NC ZINC001418191751 890194352 /nfs/dbraw/zinc/19/43/52/890194352.db2.gz BCJABHZUTFZFQC-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001418202553 890195503 /nfs/dbraw/zinc/19/55/03/890195503.db2.gz OIHITPZXXKRSBE-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)cn1)NCC(=O)NC(N)=O ZINC001418204991 890195778 /nfs/dbraw/zinc/19/57/78/890195778.db2.gz OAIDRWDIKLUTMQ-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001418200265 890195968 /nfs/dbraw/zinc/19/59/68/890195968.db2.gz ISTOJUQOGIBCSQ-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1=O)N[C@H]1CCN(C)C1=O ZINC001418196880 890196030 /nfs/dbraw/zinc/19/60/30/890196030.db2.gz SKTAGVICHDNIGG-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](C)N[C@@H]2CCCNC2=O)C1 ZINC001418216780 890196262 /nfs/dbraw/zinc/19/62/62/890196262.db2.gz HENNCZFOXOZCRD-BXKDBHETSA-N 0 3 296.371 -1.162 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001418211812 890196339 /nfs/dbraw/zinc/19/63/39/890196339.db2.gz TUIWVQULIWFHRU-JGVFFNPUSA-N 0 3 272.305 -1.675 20 0 CAADHN Cc1cc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)no1 ZINC001418195816 890196359 /nfs/dbraw/zinc/19/63/59/890196359.db2.gz PKNMIYSTSJVVCD-LURJTMIESA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@H](CNC(=O)c1ccccn1)NCC(=O)NC(N)=O ZINC001418192614 890196416 /nfs/dbraw/zinc/19/64/16/890196416.db2.gz FEMUYUPGFUULEV-MRVPVSSYSA-N 0 3 279.300 -1.016 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001418211821 890196464 /nfs/dbraw/zinc/19/64/64/890196464.db2.gz TUIWVQULIWFHRU-YUMQZZPRSA-N 0 3 272.305 -1.675 20 0 CAADHN Cc1c(C(=O)NC[C@@H](C)NCC(=O)N(C)C)nnn1C ZINC001418209059 890196583 /nfs/dbraw/zinc/19/65/83/890196583.db2.gz LSHICACYWQWFQN-MRVPVSSYSA-N 0 3 282.348 -1.080 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)n1cccn1)NCC(=O)NC(N)=O ZINC001418194309 890196713 /nfs/dbraw/zinc/19/67/13/890196713.db2.gz KMNBXFLHBTYZCK-IUCAKERBSA-N 0 3 296.331 -1.267 20 0 CAADHN Cc1cc(CC(=O)NC[C@@H](C)NCC(=O)NC(N)=O)no1 ZINC001418215437 890196849 /nfs/dbraw/zinc/19/68/49/890196849.db2.gz QWRJOMFNCNGRRT-SSDOTTSWSA-N 0 3 297.315 -1.185 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1=O)N[C@@H]1CCN(C)C1=O ZINC001418196882 890196958 /nfs/dbraw/zinc/19/69/58/890196958.db2.gz SKTAGVICHDNIGG-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)n1cccn1)NCC(=O)NC(N)=O ZINC001418194303 890197057 /nfs/dbraw/zinc/19/70/57/890197057.db2.gz KMNBXFLHBTYZCK-BDAKNGLRSA-N 0 3 296.331 -1.267 20 0 CAADHN COCC(=O)NC[C@@H](C)NCC(=O)NC[C@H]1CCOC1 ZINC001418195944 890197135 /nfs/dbraw/zinc/19/71/35/890197135.db2.gz HJUHOVOIZAYRDZ-GHMZBOCLSA-N 0 3 287.360 -1.120 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)NCC(=O)NC1CC1 ZINC001418200768 890197225 /nfs/dbraw/zinc/19/72/25/890197225.db2.gz JMWYJJUVYLWUFK-UWVGGRQHSA-N 0 3 296.371 -1.115 20 0 CAADHN COCC(=O)NC[C@H](C)NCC(=O)NC[C@@H]1CCOC1 ZINC001418195948 890197515 /nfs/dbraw/zinc/19/75/15/890197515.db2.gz HJUHOVOIZAYRDZ-QWRGUYRKSA-N 0 3 287.360 -1.120 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@@H](C)NCC(=O)NC ZINC001418223473 890199007 /nfs/dbraw/zinc/19/90/07/890199007.db2.gz QVOREMAPGLABKK-RKDXNWHRSA-N 0 3 272.349 -1.259 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@H](C)NCC(=O)NC ZINC001418223469 890199138 /nfs/dbraw/zinc/19/91/38/890199138.db2.gz QVOREMAPGLABKK-DTWKUNHWSA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001418237986 890199201 /nfs/dbraw/zinc/19/92/01/890199201.db2.gz QCCGCPHYHNLWFI-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CNC(=O)N1CCCC1 ZINC001418222459 890199212 /nfs/dbraw/zinc/19/92/12/890199212.db2.gz PZOCICMCNQQGKF-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN C[C@@H](CNC(=O)C[C@H]1CCN(C)C1=O)NCC(N)=O ZINC001418236171 890199405 /nfs/dbraw/zinc/19/94/05/890199405.db2.gz LJQKWCACDWYATA-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CNC(=O)COCc1nccn1C)N[C@@H](C)C(N)=O ZINC001418240182 890199625 /nfs/dbraw/zinc/19/96/25/890199625.db2.gz YDDFMHGXVJMMRR-UWVGGRQHSA-N 0 3 297.359 -1.095 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](C)N[C@H]2CCCNC2=O)C1 ZINC001418217061 890199694 /nfs/dbraw/zinc/19/96/94/890199694.db2.gz HENNCZFOXOZCRD-SKDRFNHKSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CNC(=O)COCc1ccnn1C)NCC(N)=O ZINC001418237126 890199743 /nfs/dbraw/zinc/19/97/43/890199743.db2.gz PAOPXXXBCHCQPY-VIFPVBQESA-N 0 3 283.332 -1.484 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CNC(=O)N1CCCC1 ZINC001418222457 890199890 /nfs/dbraw/zinc/19/98/90/890199890.db2.gz PZOCICMCNQQGKF-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001418224998 890200255 /nfs/dbraw/zinc/20/02/55/890200255.db2.gz VRBGAYNJOMLXKF-CBAPKCEASA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)NCC(=O)NC(C)(C)C ZINC001418225917 890200429 /nfs/dbraw/zinc/20/04/29/890200429.db2.gz JOIGWAAERNAFKO-SECBINFHSA-N 0 3 297.363 -1.318 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cccn2nnnc12 ZINC001418224897 890200600 /nfs/dbraw/zinc/20/06/00/890200600.db2.gz VCJTYKZXKBFLTP-MRVPVSSYSA-N 0 3 291.315 -1.422 20 0 CAADHN CCN(CC)C(=O)CN[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001418224746 890200993 /nfs/dbraw/zinc/20/09/93/890200993.db2.gz GSDNJNYOPFTWLP-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)n1C ZINC001418268483 890201536 /nfs/dbraw/zinc/20/15/36/890201536.db2.gz HPYUOBYEQGVMQI-SSDOTTSWSA-N 0 3 296.331 -1.369 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001418256387 890201599 /nfs/dbraw/zinc/20/15/99/890201599.db2.gz ZIHMLNXDUVOUCZ-DTWKUNHWSA-N 0 3 298.347 -2.189 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)N[C@H]1CCNC1=O ZINC001418267045 890202239 /nfs/dbraw/zinc/20/22/39/890202239.db2.gz KRSJORDFUTVOQX-YUMQZZPRSA-N 0 3 281.316 -1.278 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001418261199 890202468 /nfs/dbraw/zinc/20/24/68/890202468.db2.gz AJHDYCPEZLWCHJ-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN COc1c[nH]c(C(=O)NC[C@H](C)NCC(N)=O)cc1=O ZINC001418258702 890203254 /nfs/dbraw/zinc/20/32/54/890203254.db2.gz MZRKDPHTNBQTFJ-ZETCQYMHSA-N 0 3 282.300 -1.423 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001418248019 890202544 /nfs/dbraw/zinc/20/25/44/890202544.db2.gz RCZNATOBKILQKO-BDAKNGLRSA-N 0 3 295.343 -1.248 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001418264236 890203198 /nfs/dbraw/zinc/20/31/98/890203198.db2.gz JVBAEMFOKLLXFK-ZANVPECISA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNC(=O)Cc1cnoc1)NCC(=O)NC(N)=O ZINC001418272066 890203825 /nfs/dbraw/zinc/20/38/25/890203825.db2.gz QZAQDUPVBMIDBG-ZETCQYMHSA-N 0 3 283.288 -1.494 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001418261453 890204865 /nfs/dbraw/zinc/20/48/65/890204865.db2.gz HYSUXQLBLWYDMA-SECBINFHSA-N 0 3 298.347 -2.188 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N1CCCC1 ZINC001418262576 890205175 /nfs/dbraw/zinc/20/51/75/890205175.db2.gz GHEIMQASKNQKFV-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001418264223 890205649 /nfs/dbraw/zinc/20/56/49/890205649.db2.gz JVBAEMFOKLLXFK-RNCFNFMXSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)N[C@@H]1CCNC1=O ZINC001418267036 890205307 /nfs/dbraw/zinc/20/53/07/890205307.db2.gz KRSJORDFUTVOQX-JGVFFNPUSA-N 0 3 281.316 -1.278 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)NCC(=O)N(C)C ZINC001418261300 890205388 /nfs/dbraw/zinc/20/53/88/890205388.db2.gz KZOLWCANZCTZSN-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCc2nncn2CC1)NCC(N)=O ZINC001418259576 890205759 /nfs/dbraw/zinc/20/57/59/890205759.db2.gz XRVYCBAVOSBVHN-UWVGGRQHSA-N 0 3 294.359 -1.190 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCn1ncn(C)c1=O ZINC001418261454 890205887 /nfs/dbraw/zinc/20/58/87/890205887.db2.gz HYSUXQLBLWYDMA-VIFPVBQESA-N 0 3 298.347 -2.188 20 0 CAADHN C[C@H](CNC(=O)CCCC(N)=O)N[C@@H]1CCNC1=O ZINC001418319941 890206809 /nfs/dbraw/zinc/20/68/09/890206809.db2.gz GJAFHBQYZKUCTF-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ccn(C)n1)C(=O)NC(N)=O ZINC001418313250 890206840 /nfs/dbraw/zinc/20/68/40/890206840.db2.gz DWFVRBCMELNSBM-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001418323319 890206968 /nfs/dbraw/zinc/20/69/68/890206968.db2.gz NDBKVDYDDOEJOW-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN CCN1CC[C@@H](N[C@H](C)CNC(=O)CCNC(N)=O)C1=O ZINC001418325366 890207169 /nfs/dbraw/zinc/20/71/69/890207169.db2.gz ZXKCRQJHJMIRBN-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001418319758 890207381 /nfs/dbraw/zinc/20/73/81/890207381.db2.gz HWVATEOFDRYKCN-SNVBAGLBSA-N 0 3 296.375 -1.022 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CNC(=O)C(C)(C)C ZINC001418325746 890207496 /nfs/dbraw/zinc/20/74/96/890207496.db2.gz XJGVSMRATBQYOY-SECBINFHSA-N 0 3 286.376 -1.011 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cnn(C)n1 ZINC001418290539 890207821 /nfs/dbraw/zinc/20/78/21/890207821.db2.gz USVLBWBZJRUSPD-ZETCQYMHSA-N 0 3 297.319 -2.021 20 0 CAADHN C[C@H](CNC(=O)c1ccc2nncn2c1)NCC(N)=O ZINC001418287615 890207978 /nfs/dbraw/zinc/20/79/78/890207978.db2.gz LYBQTNKDXWNJFF-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](CNC(=O)CCn1cnnn1)NCC(=O)NC1CC1 ZINC001418288033 890208120 /nfs/dbraw/zinc/20/81/20/890208120.db2.gz FDBDAADSCNJTPX-VIFPVBQESA-N 0 3 295.347 -1.564 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC001418326999 890208240 /nfs/dbraw/zinc/20/82/40/890208240.db2.gz MADSEAUPTIWGKN-SECBINFHSA-N 0 3 292.299 -1.524 20 0 CAADHN COc1cc(=O)[nH]cc1C(=O)NC[C@@H](C)NCC(N)=O ZINC001418284511 890208345 /nfs/dbraw/zinc/20/83/45/890208345.db2.gz VYGIZUQVVGVDDJ-SSDOTTSWSA-N 0 3 282.300 -1.011 20 0 CAADHN C[C@H](CNC(=O)CCCC(N)=O)N[C@@H]1CCN(C)C1=O ZINC001418322271 890208951 /nfs/dbraw/zinc/20/89/51/890208951.db2.gz OFGSWVMWSXMEJD-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CNC(=O)c1cnon1)NCC(=O)N1CCOCC1 ZINC001418294783 890209055 /nfs/dbraw/zinc/20/90/55/890209055.db2.gz NNNUOGFVASGJJF-SECBINFHSA-N 0 3 297.315 -1.364 20 0 CAADHN C[C@@H](CNC(=O)c1ccc2nncn2c1)NCC(N)=O ZINC001418287618 890209143 /nfs/dbraw/zinc/20/91/43/890209143.db2.gz LYBQTNKDXWNJFF-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CCN(C)C(=O)C[NH2+][C@@H](C)CNC(=O)Cc1nnc[n-]1 ZINC001418297802 890209430 /nfs/dbraw/zinc/20/94/30/890209430.db2.gz VWHZYYXVVPXIDS-VIFPVBQESA-N 0 3 282.348 -1.080 20 0 CAADHN C[C@@H](CNC(=O)CCNC(=O)c1ccco1)NCC(N)=O ZINC001418305412 890209823 /nfs/dbraw/zinc/20/98/23/890209823.db2.gz BRDWTVIBXZCRCI-VIFPVBQESA-N 0 3 296.327 -1.021 20 0 CAADHN CCN1CC[C@H](N[C@@H](C)CNC(=O)CCNC(N)=O)C1=O ZINC001418325372 890210035 /nfs/dbraw/zinc/21/00/35/890210035.db2.gz ZXKCRQJHJMIRBN-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)Cn1ccnc1 ZINC001418324415 890210403 /nfs/dbraw/zinc/21/04/03/890210403.db2.gz ZVBMCMLWYYZOEG-SECBINFHSA-N 0 3 296.331 -1.567 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)NCC(N)=O ZINC001418285962 890210434 /nfs/dbraw/zinc/21/04/34/890210434.db2.gz SPXQBRZEKVMZAL-ZETCQYMHSA-N 0 3 297.315 -2.723 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001418329905 890212804 /nfs/dbraw/zinc/21/28/04/890212804.db2.gz DCCFIQSUNDBNHH-LPEHRKFASA-N 0 3 298.343 -2.044 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001418330820 890213269 /nfs/dbraw/zinc/21/32/69/890213269.db2.gz VFTYMOWGOQQMBW-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001418348200 890214136 /nfs/dbraw/zinc/21/41/36/890214136.db2.gz ZINOVHMDBPHILD-VIFPVBQESA-N 0 3 293.327 -1.020 20 0 CAADHN CN(C)C(=O)CCCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001418336723 890214332 /nfs/dbraw/zinc/21/43/32/890214332.db2.gz TYIXJNAFJZDYJD-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1nnn(C)c1C ZINC001418446900 890223300 /nfs/dbraw/zinc/22/33/00/890223300.db2.gz BSDXPYYPGFPTLW-JTQLQIEISA-N 0 3 285.348 -1.208 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001418472875 890225445 /nfs/dbraw/zinc/22/54/45/890225445.db2.gz SLPJVOIDNMINQG-UWVGGRQHSA-N 0 3 297.359 -1.025 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001418465311 890225708 /nfs/dbraw/zinc/22/57/08/890225708.db2.gz FQUJMDMXIVBYDH-VIFPVBQESA-N 0 3 281.378 -1.693 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001418465291 890226157 /nfs/dbraw/zinc/22/61/57/890226157.db2.gz FQUJMDMXIVBYDH-SECBINFHSA-N 0 3 281.378 -1.693 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001418472860 890228457 /nfs/dbraw/zinc/22/84/57/890228457.db2.gz SLPJVOIDNMINQG-NXEZZACHSA-N 0 3 297.359 -1.025 20 0 CAADHN Cc1cc2[nH]c(=O)c(C(=O)NCCN(C)CCO)cn2n1 ZINC001418508092 890231586 /nfs/dbraw/zinc/23/15/86/890231586.db2.gz SCUFBNLBPCCGFP-UHFFFAOYSA-N 0 3 293.327 -1.015 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)Cn1ccccc1=O ZINC001418520418 890234162 /nfs/dbraw/zinc/23/41/62/890234162.db2.gz PNCVELMGGUHXJC-LBPRGKRZSA-N 0 3 297.355 -1.096 20 0 CAADHN COC[C@@H](C)N(C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001418516927 890235742 /nfs/dbraw/zinc/23/57/42/890235742.db2.gz RWSLCLCVUALGQY-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@H]1CCCN1CCO ZINC001418622327 890246787 /nfs/dbraw/zinc/24/67/87/890246787.db2.gz OJCJGOREMCNWRN-SECBINFHSA-N 0 3 294.377 -2.387 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@@H]1CCCN1CCO ZINC001418622442 890248001 /nfs/dbraw/zinc/24/80/01/890248001.db2.gz VRJHISOVVIPAMN-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H]1CNC(=O)Cn1cncn1 ZINC001418633568 890249017 /nfs/dbraw/zinc/24/90/17/890249017.db2.gz IFEWMRYCANHADI-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN CN(CC(=O)N1CCN(C)C[C@H]1CO)[C@@H]1CCC[C@H]1O ZINC001418637944 890249616 /nfs/dbraw/zinc/24/96/16/890249616.db2.gz ISIUXKZYMYHYNG-YNEHKIRRSA-N 0 3 285.388 -1.034 20 0 CAADHN O=C(Cc1nc[nH]n1)NC[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001418683131 890254980 /nfs/dbraw/zinc/25/49/80/890254980.db2.gz NYDHZKSWIFKRNY-UWVGGRQHSA-N 0 3 292.343 -1.326 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1COCCO1 ZINC001418805601 890260134 /nfs/dbraw/zinc/26/01/34/890260134.db2.gz FBNLIWQTBKWNFG-ZJUUUORDSA-N 0 3 271.317 -1.662 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[C@H]1CCNC1=O ZINC001418804625 890260334 /nfs/dbraw/zinc/26/03/34/890260334.db2.gz BRDSFLXSHDUDCG-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001418806653 890260462 /nfs/dbraw/zinc/26/04/62/890260462.db2.gz DGUDICGKSZALPR-NXEZZACHSA-N 0 3 282.344 -1.456 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001418806395 890261650 /nfs/dbraw/zinc/26/16/50/890261650.db2.gz BPCKIFFPPOIXKI-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001418785218 890261743 /nfs/dbraw/zinc/26/17/43/890261743.db2.gz NKQVLUFPDXCPLZ-WISYIIOYSA-N 0 3 299.371 -1.149 20 0 CAADHN CC[C@H](NCCN(C)C(=O)C1CN(C(C)=O)C1)C(N)=O ZINC001418805949 890261866 /nfs/dbraw/zinc/26/18/66/890261866.db2.gz MKUVRGHEYPOSTJ-NSHDSACASA-N 0 3 284.360 -1.223 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001418837611 890264185 /nfs/dbraw/zinc/26/41/85/890264185.db2.gz DGUDICGKSZALPR-ZJUUUORDSA-N 0 3 282.344 -1.456 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)c1cnn(C)n1 ZINC001418837246 890264582 /nfs/dbraw/zinc/26/45/82/890264582.db2.gz ZSGQHGNVTVOKCQ-SECBINFHSA-N 0 3 280.332 -1.293 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001418823559 890264608 /nfs/dbraw/zinc/26/46/08/890264608.db2.gz DMERSJSIHWZERZ-VIFPVBQESA-N 0 3 293.389 -1.269 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001418834964 890264640 /nfs/dbraw/zinc/26/46/40/890264640.db2.gz SFNBMLBEZJUUIE-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCC(=O)NC1)C(N)=O ZINC001418828082 890265020 /nfs/dbraw/zinc/26/50/20/890265020.db2.gz WQUZIQLBDAGCPZ-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN Cc1nonc1CC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001418830054 890265064 /nfs/dbraw/zinc/26/50/64/890265064.db2.gz NXAQAPNGZNWOFJ-SECBINFHSA-N 0 3 281.316 -1.143 20 0 CAADHN COc1nn(C)cc1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001418823877 890265385 /nfs/dbraw/zinc/26/53/85/890265385.db2.gz NVJIOAHTWOEODC-MRVPVSSYSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cn(C)ccc1=O)C(N)=O ZINC001418816328 890265416 /nfs/dbraw/zinc/26/54/16/890265416.db2.gz XWWCXWSXCOFCJK-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001418828703 890265920 /nfs/dbraw/zinc/26/59/20/890265920.db2.gz NIIWPVQYTFFUBJ-SECBINFHSA-N 0 3 293.327 -1.290 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@@H](C)C(=O)NC ZINC001418815929 890266051 /nfs/dbraw/zinc/26/60/51/890266051.db2.gz OVSUNLQLUOJRPB-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CO[C@@H](C)C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001418818001 890266155 /nfs/dbraw/zinc/26/61/55/890266155.db2.gz TYXYQXYRRQQRCR-SFYZADRCSA-N 0 3 274.321 -1.347 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001418825113 890266181 /nfs/dbraw/zinc/26/61/81/890266181.db2.gz HUIJYDKKMMIQAV-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@H](C)C(=O)NC ZINC001418815924 890266240 /nfs/dbraw/zinc/26/62/40/890266240.db2.gz OVSUNLQLUOJRPB-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN COc1nn(C)cc1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001418829743 890266677 /nfs/dbraw/zinc/26/66/77/890266677.db2.gz SBSOZDZUHSPWJV-JTQLQIEISA-N 0 3 295.343 -1.021 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccc(C(N)=O)cn1)C(N)=O ZINC001418839605 890267001 /nfs/dbraw/zinc/26/70/01/890267001.db2.gz VDNUCUVBWYVHIJ-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001418835561 890267673 /nfs/dbraw/zinc/26/76/73/890267673.db2.gz XRQSNYOCHUCMOX-UWVGGRQHSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1nc2ncccn2n1)C(N)=O ZINC001418837197 890267728 /nfs/dbraw/zinc/26/77/28/890267728.db2.gz ZIHXTIYKRKQUBK-QMMMGPOBSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CNC(=O)C1CCC1)C(N)=O ZINC001418832892 890268028 /nfs/dbraw/zinc/26/80/28/890268028.db2.gz RBNJRQKRLCIUFW-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NCCN(C)C(=O)CNC(=O)C1CCC1)C(N)=O ZINC001418832896 890268073 /nfs/dbraw/zinc/26/80/73/890268073.db2.gz RBNJRQKRLCIUFW-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)c1cn[nH]n1 ZINC001418814454 890268129 /nfs/dbraw/zinc/26/81/29/890268129.db2.gz SONNXMHLXVWNBK-ZETCQYMHSA-N 0 3 297.319 -1.690 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001418826434 890268160 /nfs/dbraw/zinc/26/81/60/890268160.db2.gz HCEDWSQQEKUTQR-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001418895577 890269701 /nfs/dbraw/zinc/26/97/01/890269701.db2.gz ADDOXYGYLMUXOY-DTWKUNHWSA-N 0 3 295.347 -1.474 20 0 CAADHN C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001418932416 890271320 /nfs/dbraw/zinc/27/13/20/890271320.db2.gz GAEDGBUEZFPYLB-WDEREUQCSA-N 0 3 294.359 -1.068 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001418956795 890274890 /nfs/dbraw/zinc/27/48/90/890274890.db2.gz CDXINRPTCVJNMG-WDEREUQCSA-N 0 3 298.347 -1.739 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@@]2(CO)COCCN2)C1 ZINC001418953380 890276291 /nfs/dbraw/zinc/27/62/91/890276291.db2.gz QZOAGKCRWUZRQG-WCQYABFASA-N 0 3 271.361 -1.205 20 0 CAADHN CN(C)C1(C(=O)NC2CN(Cc3nnn(C)n3)C2)CCC1 ZINC001418975365 890277909 /nfs/dbraw/zinc/27/79/09/890277909.db2.gz JRSDQBJNIVMSPX-UHFFFAOYSA-N 0 3 293.375 -1.005 20 0 CAADHN CC[C@H](C(=O)NC1CN(Cc2nnnn2C)C1)N(C)C ZINC001419001059 890284983 /nfs/dbraw/zinc/28/49/83/890284983.db2.gz XYEMPZSQIINFBZ-SNVBAGLBSA-N 0 3 281.364 -1.149 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001419004169 890286127 /nfs/dbraw/zinc/28/61/27/890286127.db2.gz BXXBKRMZXGVEPN-SKDRFNHKSA-N 0 3 287.360 -1.434 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CN2CCOCC2)C1 ZINC001419018732 890288531 /nfs/dbraw/zinc/28/85/31/890288531.db2.gz VVOQNXWQXNONBK-LLVKDONJSA-N 0 3 271.361 -1.253 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CCNS(C)(=O)=O)C1 ZINC001419021131 890288595 /nfs/dbraw/zinc/28/85/95/890288595.db2.gz UQXWLYHQMKGOEN-VIFPVBQESA-N 0 3 293.389 -1.646 20 0 CAADHN CNS(=O)(=O)CC(=O)NCC1CN(C[C@@H](C)OC)C1 ZINC001419036666 890288644 /nfs/dbraw/zinc/28/86/44/890288644.db2.gz CMAJQGIYPSVWOA-SECBINFHSA-N 0 3 293.389 -1.382 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCC1CN(C[C@@H](C)O)C1 ZINC001419019792 890289064 /nfs/dbraw/zinc/28/90/64/890289064.db2.gz PKLHMKKYSBNQJJ-SECBINFHSA-N 0 3 293.389 -1.646 20 0 CAADHN COCC(=O)NCCC(=O)NCC1CN(C[C@@H](C)O)C1 ZINC001419018813 890289415 /nfs/dbraw/zinc/28/94/15/890289415.db2.gz GGEPKGYAENTABG-SNVBAGLBSA-N 0 3 287.360 -1.432 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001419017338 890290111 /nfs/dbraw/zinc/29/01/11/890290111.db2.gz OZXHKBNRIJWWIJ-VXGBXAGGSA-N 0 3 299.371 -1.432 20 0 CAADHN COCC(=O)NCCC(=O)NCC1CN(C[C@H](C)O)C1 ZINC001419018811 890290994 /nfs/dbraw/zinc/29/09/94/890290994.db2.gz GGEPKGYAENTABG-JTQLQIEISA-N 0 3 287.360 -1.432 20 0 CAADHN CCN1CC(CNC(=O)CN2CCS(=O)(=O)CC2)C1 ZINC001419036065 890291860 /nfs/dbraw/zinc/29/18/60/890291860.db2.gz AAMYYDCYEAUENP-UHFFFAOYSA-N 0 3 289.401 -1.215 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001419080810 890298100 /nfs/dbraw/zinc/29/81/00/890298100.db2.gz NZPHITNNQIKVHN-RKDXNWHRSA-N 0 3 295.347 -1.332 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001419074354 890298437 /nfs/dbraw/zinc/29/84/37/890298437.db2.gz BQNLTISIXQXLJT-UWVGGRQHSA-N 0 3 295.347 -1.482 20 0 CAADHN O=C(CNC(=O)c1ccncc1)N[C@@H]1CCN(CCO)C1 ZINC001419080942 890300031 /nfs/dbraw/zinc/30/00/31/890300031.db2.gz FOHNRQAGHFKMOS-GFCCVEGCSA-N 0 3 292.339 -1.006 20 0 CAADHN CCN(C(=O)CCn1cnnn1)[C@@H]1CCN(CCO)C1 ZINC001419148671 890305914 /nfs/dbraw/zinc/30/59/14/890305914.db2.gz BPACIVIKZKDHAT-LLVKDONJSA-N 0 3 282.348 -1.022 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](N[C@@H]1CCN(C)C1=O)C1CC1 ZINC001419207600 890308389 /nfs/dbraw/zinc/30/83/89/890308389.db2.gz FFWWXNQNISXOPN-NEPJUHHUSA-N 0 3 296.371 -1.162 20 0 CAADHN CCC(=O)NC[C@H](CC)NCC(=O)N1CCNC(=O)C1 ZINC001419154684 890309402 /nfs/dbraw/zinc/30/94/02/890309402.db2.gz AXDGRWULJTWUIT-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCC(=O)NC[C@@H](CC)NCC(=O)N1CCNC(=O)C1 ZINC001419154691 890309309 /nfs/dbraw/zinc/30/93/09/890309309.db2.gz AXDGRWULJTWUIT-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001419156282 890309943 /nfs/dbraw/zinc/30/99/43/890309943.db2.gz JQUJJRXBMIMBDJ-SECBINFHSA-N 0 3 279.362 -1.892 20 0 CAADHN CC[C@@H](CNC(=O)C1CN(C(C)=O)C1)N[C@H]1CCNC1=O ZINC001419188323 890310190 /nfs/dbraw/zinc/31/01/90/890310190.db2.gz XLLXOPMRPIHEBZ-RYUDHWBXSA-N 0 3 296.371 -1.162 20 0 CAADHN CC[C@@H](CNC(=O)C1CN(C(C)=O)C1)N[C@@H](C)C(N)=O ZINC001419185508 890310679 /nfs/dbraw/zinc/31/06/79/890310679.db2.gz QJFVGVFMOFHSMR-KWQFWETISA-N 0 3 284.360 -1.177 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCNC(=O)C1)NCC(N)=O ZINC001419167038 890310798 /nfs/dbraw/zinc/31/07/98/890310798.db2.gz CEQRGRPDCUYXKE-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN CCN(C(=O)Cn1ncn(C)c1=O)[C@H]1CCN(CCO)C1 ZINC001419165211 890311209 /nfs/dbraw/zinc/31/12/09/890311209.db2.gz SVURDXNOFCHTOK-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)NCC(=O)N1CCC1 ZINC001419200628 890311299 /nfs/dbraw/zinc/31/12/99/890311299.db2.gz RADLHTQBRXAENW-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](N[C@@H]1CCN(C)C1=O)C1CC1 ZINC001419207649 890311369 /nfs/dbraw/zinc/31/13/69/890311369.db2.gz FFWWXNQNISXOPN-VXGBXAGGSA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)NC(=O)CN[C@H](CNC(=O)[C@H]1CCCO1)C1CC1 ZINC001419205039 890311578 /nfs/dbraw/zinc/31/15/78/890311578.db2.gz FHSYFMZDVJSXJR-NXEZZACHSA-N 0 3 298.343 -1.155 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001419176321 890311745 /nfs/dbraw/zinc/31/17/45/890311745.db2.gz IJJYYTNCOKNDFT-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@H](CNC(=O)C1CN(C(C)=O)C1)N[C@@H](C)C(N)=O ZINC001419185506 890312243 /nfs/dbraw/zinc/31/22/43/890312243.db2.gz QJFVGVFMOFHSMR-GZMMTYOYSA-N 0 3 284.360 -1.177 20 0 CAADHN NC(=O)NC(=O)CN[C@H](CNC(=O)[C@@H]1CCCO1)C1CC1 ZINC001419205067 890312844 /nfs/dbraw/zinc/31/28/44/890312844.db2.gz FHSYFMZDVJSXJR-ZJUUUORDSA-N 0 3 298.343 -1.155 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001419273019 890313643 /nfs/dbraw/zinc/31/36/43/890313643.db2.gz RTRZQDIJITXNOH-NXEZZACHSA-N 0 3 298.343 -1.285 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(=O)NC ZINC001419213618 890313672 /nfs/dbraw/zinc/31/36/72/890313672.db2.gz BPJCUXSRRDCSOK-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001419217342 890314199 /nfs/dbraw/zinc/31/41/99/890314199.db2.gz VHFSATIZFINCRS-WDEREUQCSA-N 0 3 282.344 -1.505 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ccccc1=O)NCC(N)=O ZINC001419268599 890314414 /nfs/dbraw/zinc/31/44/14/890314414.db2.gz CXSVNDASWYLWPQ-JTQLQIEISA-N 0 3 280.328 -1.182 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)CNC(=O)NC)C1CC1 ZINC001419245203 890314681 /nfs/dbraw/zinc/31/46/81/890314681.db2.gz BCKDYYCXUZNHKU-JTQLQIEISA-N 0 3 299.375 -1.464 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)CNC(=O)C1CC1)C1CC1)C(N)=O ZINC001419236613 890314706 /nfs/dbraw/zinc/31/47/06/890314706.db2.gz OLLLIIBSPPJOIV-KWQFWETISA-N 0 3 296.371 -1.129 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001419246537 890314750 /nfs/dbraw/zinc/31/47/50/890314750.db2.gz RCPFLTOMJLYCNT-VIFPVBQESA-N 0 3 285.348 -1.725 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C1CC1 ZINC001419275650 890315051 /nfs/dbraw/zinc/31/50/51/890315051.db2.gz KVFLQRGXZFOWOH-MNOVXSKESA-N 0 3 296.371 -1.162 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001419217314 890315162 /nfs/dbraw/zinc/31/51/62/890315162.db2.gz VHFSATIZFINCRS-MNOVXSKESA-N 0 3 282.344 -1.505 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001419275316 890315198 /nfs/dbraw/zinc/31/51/98/890315198.db2.gz YBHPYEZFSADLCZ-ZJUUUORDSA-N 0 3 282.344 -1.375 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001419251330 890315785 /nfs/dbraw/zinc/31/57/85/890315785.db2.gz POMPNNKTSJRHOC-WPRPVWTQSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001419232029 890315611 /nfs/dbraw/zinc/31/56/11/890315611.db2.gz FMHNGNQASSVTMR-MNOVXSKESA-N 0 3 285.344 -1.368 20 0 CAADHN CC[C@H](CNC(=O)Cn1ccccc1=O)NCC(N)=O ZINC001419268600 890315938 /nfs/dbraw/zinc/31/59/38/890315938.db2.gz CXSVNDASWYLWPQ-SNVBAGLBSA-N 0 3 280.328 -1.182 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001419217330 890316638 /nfs/dbraw/zinc/31/66/38/890316638.db2.gz VHFSATIZFINCRS-QWRGUYRKSA-N 0 3 282.344 -1.505 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)CNC(=O)C1CC1)C1CC1)C(N)=O ZINC001419236622 890316394 /nfs/dbraw/zinc/31/63/94/890316394.db2.gz OLLLIIBSPPJOIV-LDYMZIIASA-N 0 3 296.371 -1.129 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001419209985 890316767 /nfs/dbraw/zinc/31/67/67/890316767.db2.gz MCOBAASKPDYVHA-ZJUUUORDSA-N 0 3 293.331 -1.954 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CN(CC)CCO1)NCC(N)=O ZINC001419267753 890316906 /nfs/dbraw/zinc/31/69/06/890316906.db2.gz HVXATAUMNYJCQO-WDEREUQCSA-N 0 3 286.376 -1.323 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(=O)NC ZINC001419213621 890316972 /nfs/dbraw/zinc/31/69/72/890316972.db2.gz BPJCUXSRRDCSOK-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001419273032 890317543 /nfs/dbraw/zinc/31/75/43/890317543.db2.gz RTRZQDIJITXNOH-VHSXEESVSA-N 0 3 298.343 -1.285 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1COCCO1)C1CC1 ZINC001419232032 890317636 /nfs/dbraw/zinc/31/76/36/890317636.db2.gz FMHNGNQASSVTMR-QWRGUYRKSA-N 0 3 285.344 -1.368 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001419366652 890318393 /nfs/dbraw/zinc/31/83/93/890318393.db2.gz XHGHFDNWARJWCK-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001419294182 890318450 /nfs/dbraw/zinc/31/84/50/890318450.db2.gz WJRBAOXFMOHQQX-IUCAKERBSA-N 0 3 283.332 -2.102 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)Cc1nnc[n-]1)C1CC1 ZINC001419311596 890319450 /nfs/dbraw/zinc/31/94/50/890319450.db2.gz NHVYUPQRAWEHBM-PSASIEDQSA-N 0 3 294.359 -1.034 20 0 CAADHN COCC(=O)N1CC[C@H](NCCN(C)S(C)(=O)=O)C1 ZINC001419342885 890320355 /nfs/dbraw/zinc/32/03/55/890320355.db2.gz XQEYKFQBBYYVOY-JTQLQIEISA-N 0 3 293.389 -1.285 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001419361833 890320523 /nfs/dbraw/zinc/32/05/23/890320523.db2.gz NDYLYWIZHOYKBZ-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001419357358 890320647 /nfs/dbraw/zinc/32/06/47/890320647.db2.gz FIQKZNRADRRWPX-HZMBPMFUSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001419309938 890320717 /nfs/dbraw/zinc/32/07/17/890320717.db2.gz UXPOXLXHWCDSOH-JTQLQIEISA-N 0 3 280.332 -1.492 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)NCC2CC2)C1 ZINC001419354179 890321238 /nfs/dbraw/zinc/32/12/38/890321238.db2.gz VYCUKFGUZAOXCM-LBPRGKRZSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)CNC(=O)NC)C1CC1 ZINC001419349112 890321564 /nfs/dbraw/zinc/32/15/64/890321564.db2.gz LXQCKJVLGWCFMU-CYBMUJFWSA-N 0 3 299.375 -1.464 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)CS(C)(=O)=O)C1CC1 ZINC001419323171 890321401 /nfs/dbraw/zinc/32/14/01/890321401.db2.gz SBAGQSIADYTFGO-LLVKDONJSA-N 0 3 291.373 -1.609 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001419370129 890322099 /nfs/dbraw/zinc/32/20/99/890322099.db2.gz VQSXBBJAJYHVSX-GUBZILKMSA-N 0 3 297.359 -1.488 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001419368115 890322134 /nfs/dbraw/zinc/32/21/34/890322134.db2.gz PHXNCYGRFBLYIW-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1)C(N)=O ZINC001419368706 890322167 /nfs/dbraw/zinc/32/21/67/890322167.db2.gz CQJHEOBUEAUYPL-XHNCKOQMSA-N 0 3 285.348 -1.502 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H]1CN[C@H](C)C(N)=O ZINC001419403057 890325370 /nfs/dbraw/zinc/32/53/70/890325370.db2.gz DJHUDBURUPVIKO-PSASIEDQSA-N 0 3 270.333 -1.423 20 0 CAADHN CS(=O)(=O)CCN[C@H]1C[C@H](NC(=O)c2cnon2)C1 ZINC001419429137 890325693 /nfs/dbraw/zinc/32/56/93/890325693.db2.gz IKEJZJREKGBCDZ-ZKCHVHJHSA-N 0 3 288.329 -1.035 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001419411912 890325920 /nfs/dbraw/zinc/32/59/20/890325920.db2.gz PMEYKRIIJQJKQG-LLVKDONJSA-N 0 3 282.344 -1.469 20 0 CAADHN CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001419507749 890331373 /nfs/dbraw/zinc/33/13/73/890331373.db2.gz LSMGMEQLVWVNJI-DTORHVGOSA-N 0 3 280.332 -1.280 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@H](C)CN[C@@H](C)C(N)=O ZINC001419649332 890341896 /nfs/dbraw/zinc/34/18/96/890341896.db2.gz MMAZOSTYZIZEBQ-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)C[C@H]1CCNC1=O ZINC001419602607 890334450 /nfs/dbraw/zinc/33/44/50/890334450.db2.gz VXYXDPCOEURKCC-MNOVXSKESA-N 0 3 296.371 -1.031 20 0 CAADHN CC(=O)N(C)CC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001419594041 890337108 /nfs/dbraw/zinc/33/71/08/890337108.db2.gz QNHPFLYIDWDYPA-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)COC ZINC001419672404 890338127 /nfs/dbraw/zinc/33/81/27/890338127.db2.gz LDIBPOYDIWZGIQ-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN COCC(=O)NC[C@H](C)NCCN1CCCS1(=O)=O ZINC001419671103 890338232 /nfs/dbraw/zinc/33/82/32/890338232.db2.gz FZCTYYSESSHLCP-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001419665620 890339089 /nfs/dbraw/zinc/33/90/89/890339089.db2.gz IUICMDCGASLSHC-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)COC ZINC001419672453 890339149 /nfs/dbraw/zinc/33/91/49/890339149.db2.gz LDIBPOYDIWZGIQ-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)Cc1nnc(C)[nH]1 ZINC001419658180 890340094 /nfs/dbraw/zinc/34/00/94/890340094.db2.gz KVRXESOSFWNWBN-QMMMGPOBSA-N 0 3 282.348 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cnc2n1CCOC2 ZINC001419672144 890340415 /nfs/dbraw/zinc/34/04/15/890340415.db2.gz KWCRXARUVREHQE-SECBINFHSA-N 0 3 295.343 -1.051 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001419685474 890340533 /nfs/dbraw/zinc/34/05/33/890340533.db2.gz JHYUWBLMAWONMS-SSDOTTSWSA-N 0 3 295.365 -3.038 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cc[nH]n1 ZINC001419652655 890340708 /nfs/dbraw/zinc/34/07/08/890340708.db2.gz NBNINBKWIIZKBE-SSDOTTSWSA-N 0 3 282.304 -1.345 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@@H](C)CN[C@H](C)C(N)=O ZINC001419649334 890340749 /nfs/dbraw/zinc/34/07/49/890340749.db2.gz MMAZOSTYZIZEBQ-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CS(C)(=O)=O ZINC001419648219 890340952 /nfs/dbraw/zinc/34/09/52/890340952.db2.gz XXTFTZQQDKKNJZ-HTQZYQBOSA-N 0 3 279.362 -1.659 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)[C@H](C)OC ZINC001419648111 890341055 /nfs/dbraw/zinc/34/10/55/890341055.db2.gz XMQFEUJCYIROPC-IUCAKERBSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001419668566 890341743 /nfs/dbraw/zinc/34/17/43/890341743.db2.gz RREJBOWBYXBZRD-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001419676240 890342061 /nfs/dbraw/zinc/34/20/61/890342061.db2.gz QBDWXUVBBQPRFN-ZDMBXUJBSA-N 0 3 298.343 -1.346 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001419710486 890342710 /nfs/dbraw/zinc/34/27/10/890342710.db2.gz QWUZCMDEPILTOO-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](CNC(=O)CS(C)(=O)=O)N[C@@H]1CCN(C)C1=O ZINC001419702522 890343170 /nfs/dbraw/zinc/34/31/70/890343170.db2.gz HFLAEYZTRVITLZ-DTWKUNHWSA-N 0 3 291.373 -1.644 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)N1CCC1 ZINC001419694501 890343203 /nfs/dbraw/zinc/34/32/03/890343203.db2.gz HYCZCQOLSJBEAF-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N[C@H]1CCCN(C)C1=O ZINC001419698591 890343310 /nfs/dbraw/zinc/34/33/10/890343310.db2.gz NTIDGEWUCYPGQA-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cnco1 ZINC001419694636 890343347 /nfs/dbraw/zinc/34/33/47/890343347.db2.gz XWILBRPNETXANP-SSDOTTSWSA-N 0 3 283.288 -1.080 20 0 CAADHN C[C@@H](CNC(=O)CS(C)(=O)=O)N[C@H]1CCN(C)C1=O ZINC001419702525 890343604 /nfs/dbraw/zinc/34/36/04/890343604.db2.gz HFLAEYZTRVITLZ-IUCAKERBSA-N 0 3 291.373 -1.644 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001419691214 890343750 /nfs/dbraw/zinc/34/37/50/890343750.db2.gz CUHLITZRUNZZQM-SECBINFHSA-N 0 3 293.389 -1.350 20 0 CAADHN CCN1CC[C@H](N[C@H](C)CNC(=O)CNC(C)=O)C1=O ZINC001419705441 890344003 /nfs/dbraw/zinc/34/40/03/890344003.db2.gz JOPUTZKXCFVRHU-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@H](C)CNC(=O)Cn1cnnn1 ZINC001419698169 890344387 /nfs/dbraw/zinc/34/43/87/890344387.db2.gz NGDHBIHGTICMNY-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H](C)NC(C)=O ZINC001419689094 890344579 /nfs/dbraw/zinc/34/45/79/890344579.db2.gz BXVDJDSRUOZDGU-DTWKUNHWSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1=O)NCC(=O)N1CCC1 ZINC001419702786 890344824 /nfs/dbraw/zinc/34/48/24/890344824.db2.gz UQKKXUNLFQBBMV-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](C)N[C@H]1CCN(C)C1=O ZINC001419710488 890345221 /nfs/dbraw/zinc/34/52/21/890345221.db2.gz QWUZCMDEPILTOO-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCCN(C)C1=O ZINC001419698587 890345344 /nfs/dbraw/zinc/34/53/44/890345344.db2.gz NTIDGEWUCYPGQA-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)NCC(=O)N1CCC1 ZINC001419694497 890345432 /nfs/dbraw/zinc/34/54/32/890345432.db2.gz HYCZCQOLSJBEAF-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)NCC(=O)NC(N)=O ZINC001419702632 890345502 /nfs/dbraw/zinc/34/55/02/890345502.db2.gz HLUQYNQBIKBPPE-QMMMGPOBSA-N 0 3 296.331 -1.748 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001419689597 890345893 /nfs/dbraw/zinc/34/58/93/890345893.db2.gz WBEVEHIHBQUNLX-VIFPVBQESA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](CNC(=O)CCn1cncn1)N[C@H]1CCNC1=O ZINC001419693190 890346091 /nfs/dbraw/zinc/34/60/91/890346091.db2.gz FYKHBHLYSZBVNU-ZJUUUORDSA-N 0 3 280.332 -1.349 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)CS(C)(=O)=O ZINC001419691216 890346522 /nfs/dbraw/zinc/34/65/22/890346522.db2.gz CUHLITZRUNZZQM-VIFPVBQESA-N 0 3 293.389 -1.350 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)Cn1cncn1 ZINC001419736428 890347332 /nfs/dbraw/zinc/34/73/32/890347332.db2.gz HRNCKTGGRQBACG-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ccn(C)n1 ZINC001419745051 890347862 /nfs/dbraw/zinc/34/78/62/890347862.db2.gz LKZMDBJHLISEMW-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)N[C@@H]1CCCNC1=O ZINC001419742938 890347912 /nfs/dbraw/zinc/34/79/12/890347912.db2.gz FSXIRBYUHGGVMU-VHSXEESVSA-N 0 3 299.375 -1.322 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)Cn1cncn1 ZINC001419736424 890348199 /nfs/dbraw/zinc/34/81/99/890348199.db2.gz HRNCKTGGRQBACG-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN Cc1nn(C)c(C)c1OCC(=O)NC[C@H](C)NCC(N)=O ZINC001419746690 890348439 /nfs/dbraw/zinc/34/84/39/890348439.db2.gz LMSKZKQFKRTOFD-QMMMGPOBSA-N 0 3 297.359 -1.005 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001419718981 890349298 /nfs/dbraw/zinc/34/92/98/890349298.db2.gz WGZWFLNVPDCVDA-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCc1cnn(C)n1 ZINC001419719508 890349386 /nfs/dbraw/zinc/34/93/86/890349386.db2.gz KVKXXLYPMMCJHZ-SECBINFHSA-N 0 3 282.348 -1.331 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)N(C)C1CC1 ZINC001419732320 890349562 /nfs/dbraw/zinc/34/95/62/890349562.db2.gz QDMJNZAMJFCWFJ-WCBMZHEXSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1)NCC(=O)N1CCC1 ZINC001419724084 890349627 /nfs/dbraw/zinc/34/96/27/890349627.db2.gz CWBOGLUPILECHX-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1cnn(C)n1 ZINC001419746864 890349894 /nfs/dbraw/zinc/34/98/94/890349894.db2.gz LUSSSPTWKLYPMC-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CCNC(N)=O ZINC001419742437 890350493 /nfs/dbraw/zinc/35/04/93/890350493.db2.gz QMBHZRYDQXUJLU-HTQZYQBOSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NCCS(C)(=O)=O ZINC001419731150 890350577 /nfs/dbraw/zinc/35/05/77/890350577.db2.gz KTEORIJLEVHLGJ-YUMQZZPRSA-N 0 3 294.377 -1.818 20 0 CAADHN C[C@H](CNC(=O)c1cnnn1C)NCC(=O)NC1CC1 ZINC001419728305 890351130 /nfs/dbraw/zinc/35/11/30/890351130.db2.gz AVWNIYLLBYUVOD-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001419731735 890351302 /nfs/dbraw/zinc/35/13/02/890351302.db2.gz DEYKYYJXLMFDQK-BDAKNGLRSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001419728797 890351353 /nfs/dbraw/zinc/35/13/53/890351353.db2.gz CMERYOCQNUDRQB-IONNQARKSA-N 0 3 274.321 -1.708 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1cnn(C)n1 ZINC001419746868 890351452 /nfs/dbraw/zinc/35/14/52/890351452.db2.gz LUSSSPTWKLYPMC-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001419750165 890352596 /nfs/dbraw/zinc/35/25/96/890352596.db2.gz VEQRWVVDFXXQBC-ZETCQYMHSA-N 0 3 297.315 -1.979 20 0 CAADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N[C@@H](C)C(N)=O ZINC001419792015 890352630 /nfs/dbraw/zinc/35/26/30/890352630.db2.gz KZLHWIMYOVYYDR-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)Cn1ncnn1 ZINC001419748082 890353547 /nfs/dbraw/zinc/35/35/47/890353547.db2.gz NHMDEJFJNNZHCN-SECBINFHSA-N 0 3 283.336 -1.708 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)CNC(=O)NC ZINC001419754823 890353162 /nfs/dbraw/zinc/35/31/62/890353162.db2.gz ISBYBSCKQWUBMY-SECBINFHSA-N 0 3 287.364 -1.464 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001419800495 890353463 /nfs/dbraw/zinc/35/34/63/890353463.db2.gz VTFSWOHOUWXZIH-AEJSXWLSSA-N 0 3 284.360 -1.286 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001419750164 890353588 /nfs/dbraw/zinc/35/35/88/890353588.db2.gz VEQRWVVDFXXQBC-SSDOTTSWSA-N 0 3 297.315 -1.979 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001419753289 890353704 /nfs/dbraw/zinc/35/37/04/890353704.db2.gz CFKZNXIKQDQXRM-RKDXNWHRSA-N 0 3 270.333 -1.695 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@@H](C)NCC(=O)NC ZINC001419752764 890354183 /nfs/dbraw/zinc/35/41/83/890354183.db2.gz AFKLJOORDSTJSF-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC001419802958 890354068 /nfs/dbraw/zinc/35/40/68/890354068.db2.gz DWOLMSBRARLMSD-GUBZILKMSA-N 0 3 295.347 -1.613 20 0 CAADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N[C@H]1CCNC1=O ZINC001419752819 890354288 /nfs/dbraw/zinc/35/42/88/890354288.db2.gz BFRXUZQBTYOYCE-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cnc2n1CCOC2 ZINC001419757235 890354409 /nfs/dbraw/zinc/35/44/09/890354409.db2.gz JOLXJGPYOXAUHV-VIFPVBQESA-N 0 3 295.343 -1.133 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCCN(C)C1=O ZINC001419752827 890354523 /nfs/dbraw/zinc/35/45/23/890354523.db2.gz BHYXSFPQACVUIY-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001419753288 890354564 /nfs/dbraw/zinc/35/45/64/890354564.db2.gz CFKZNXIKQDQXRM-IUCAKERBSA-N 0 3 270.333 -1.695 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001419764347 890354776 /nfs/dbraw/zinc/35/47/76/890354776.db2.gz HBSSBSMMCMAKCH-JGVFFNPUSA-N 0 3 291.373 -1.740 20 0 CAADHN C[C@@H](CNC(=O)c1cnn2ncccc12)NCC(N)=O ZINC001419758843 890354947 /nfs/dbraw/zinc/35/49/47/890354947.db2.gz PYZWYEYMIISDMU-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CC(C)C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1ncnn1 ZINC001419798378 890355136 /nfs/dbraw/zinc/35/51/36/890355136.db2.gz SOPAMGKNRBHBFF-UWVGGRQHSA-N 0 3 297.363 -1.333 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccnc(OC)n1 ZINC001419805175 890355496 /nfs/dbraw/zinc/35/54/96/890355496.db2.gz ZRJMCHANRALVNH-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN C[C@H](CNC(=O)c1cnn2ncccc12)NCC(N)=O ZINC001419758833 890355599 /nfs/dbraw/zinc/35/55/99/890355599.db2.gz PYZWYEYMIISDMU-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CN1CCCNC1=O ZINC001419793380 890355636 /nfs/dbraw/zinc/35/56/36/890355636.db2.gz QZTSCVDTUJGGLF-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCCN(C)C1=O ZINC001419752825 890355906 /nfs/dbraw/zinc/35/59/06/890355906.db2.gz BHYXSFPQACVUIY-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N[C@@H](C)C(N)=O ZINC001419792028 890355926 /nfs/dbraw/zinc/35/59/26/890355926.db2.gz KZLHWIMYOVYYDR-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@H]1CCCN(C)C1=O ZINC001419816583 890356794 /nfs/dbraw/zinc/35/67/94/890356794.db2.gz PEMZQXVFHBIMSL-BDAKNGLRSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NCC1CC1 ZINC001419822455 890357138 /nfs/dbraw/zinc/35/71/38/890357138.db2.gz MREXBTIYTPKTSP-WPRPVWTQSA-N 0 3 297.359 -1.712 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NCC1CC1 ZINC001419822423 890357251 /nfs/dbraw/zinc/35/72/51/890357251.db2.gz MREXBTIYTPKTSP-PSASIEDQSA-N 0 3 297.359 -1.712 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)NCC(=O)N(C)C ZINC001419848731 890358200 /nfs/dbraw/zinc/35/82/00/890358200.db2.gz KHUHNEIYEQUDJI-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1COCCO1)C(C)C ZINC001419850982 890358583 /nfs/dbraw/zinc/35/85/83/890358583.db2.gz FVWDCGMSUVALFA-MNOVXSKESA-N 0 3 287.360 -1.122 20 0 CAADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)NC1CC1 ZINC001419852773 890358843 /nfs/dbraw/zinc/35/88/43/890358843.db2.gz PKNQUFHKTCLYBN-QNSHHTMESA-N 0 3 282.344 -1.519 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CN(C)C(C)=O)C(C)C ZINC001419858020 890358881 /nfs/dbraw/zinc/35/88/81/890358881.db2.gz YUJQBIMYIIRCTP-LLVKDONJSA-N 0 3 286.376 -1.059 20 0 CAADHN Cc1nn[nH]c1C(=O)NC[C@H](C)NCCS(C)(=O)=O ZINC001419841109 890359040 /nfs/dbraw/zinc/35/90/40/890359040.db2.gz PVELGOHRDXJYHR-ZETCQYMHSA-N 0 3 289.361 -1.134 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NCC1CC1 ZINC001419822433 890359182 /nfs/dbraw/zinc/35/91/82/890359182.db2.gz MREXBTIYTPKTSP-SCZZXKLOSA-N 0 3 297.359 -1.712 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001419865783 890359229 /nfs/dbraw/zinc/35/92/29/890359229.db2.gz TWYFFYOUFQPQFF-YUMQZZPRSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@@H](CNC(=O)Cn1nnc2c1CCCC2)NCC(N)=O ZINC001419858755 890359257 /nfs/dbraw/zinc/35/92/57/890359257.db2.gz KWTUJPNSLDYBBF-VIFPVBQESA-N 0 3 294.359 -1.264 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NCC1CC1 ZINC001419822445 890360354 /nfs/dbraw/zinc/36/03/54/890360354.db2.gz MREXBTIYTPKTSP-WCBMZHEXSA-N 0 3 297.359 -1.712 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(=O)NC1CC1 ZINC001419825018 890360764 /nfs/dbraw/zinc/36/07/64/890360764.db2.gz BSIPHHYTNGJKII-QMMMGPOBSA-N 0 3 293.327 -1.244 20 0 CAADHN C[C@H](CNC(=O)c1ccn2nnnc2c1)NCC(N)=O ZINC001419831746 890360827 /nfs/dbraw/zinc/36/08/27/890360827.db2.gz HQBNNQXYGPFCJW-SSDOTTSWSA-N 0 3 277.288 -1.683 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CNC(=O)N1)C(C)C ZINC001419898093 890361206 /nfs/dbraw/zinc/36/12/06/890361206.db2.gz FGSRWYGQECVUFA-RKDXNWHRSA-N 0 3 285.348 -1.856 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)NCC(=O)NCC1CC1 ZINC001419918873 890362023 /nfs/dbraw/zinc/36/20/23/890362023.db2.gz IMGVZCZEQHPRSO-JTQLQIEISA-N 0 3 294.359 -1.101 20 0 CAADHN CC(C)[C@@H](CNC(=O)CS(C)(=O)=O)N[C@H](C)C(N)=O ZINC001419866808 890362816 /nfs/dbraw/zinc/36/28/16/890362816.db2.gz SXYHDOZUBAAEBV-RKDXNWHRSA-N 0 3 293.389 -1.365 20 0 CAADHN C[C@H](CNC(=O)CCN1CCOCC1)N[C@H]1CCNC1=O ZINC001419875998 890363144 /nfs/dbraw/zinc/36/31/44/890363144.db2.gz KVRJTDORAHLPFC-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN CCN1CC[C@H](N[C@H](C)CNC(=O)Cn2cncn2)C1=O ZINC001419920715 890363605 /nfs/dbraw/zinc/36/36/05/890363605.db2.gz MPEODZIXLUTSEO-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cnn(CCOC)c1 ZINC001419912232 890364355 /nfs/dbraw/zinc/36/43/55/890364355.db2.gz XVUUBJZZLNRORC-JTQLQIEISA-N 0 3 297.359 -1.017 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H]1CCN(C)C1=O ZINC001419894035 890365085 /nfs/dbraw/zinc/36/50/85/890365085.db2.gz KTROCKMGIDXCFP-RKDXNWHRSA-N 0 3 280.332 -1.328 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001419898079 890365210 /nfs/dbraw/zinc/36/52/10/890365210.db2.gz FGSRWYGQECVUFA-BDAKNGLRSA-N 0 3 285.348 -1.856 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@H]1CCN(C)C1=O ZINC001419894030 890365300 /nfs/dbraw/zinc/36/53/00/890365300.db2.gz KTROCKMGIDXCFP-IUCAKERBSA-N 0 3 280.332 -1.328 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cc2nonc2C)C1 ZINC001419969744 890367630 /nfs/dbraw/zinc/36/76/30/890367630.db2.gz VWIWBOXGNSBHPQ-VIFPVBQESA-N 0 3 281.316 -1.143 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001419954668 890367896 /nfs/dbraw/zinc/36/78/96/890367896.db2.gz IWIDDLQTXOVEIL-QMMMGPOBSA-N 0 3 281.316 -1.026 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001419940804 890368529 /nfs/dbraw/zinc/36/85/29/890368529.db2.gz KUCORTVZUQQYGN-NWDGAFQWSA-N 0 3 296.371 -1.114 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cc(C(N)=O)ccn1 ZINC001419945369 890369146 /nfs/dbraw/zinc/36/91/46/890369146.db2.gz RGAVINLECYIRTE-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)c1cn(C)nn1 ZINC001419961044 890369387 /nfs/dbraw/zinc/36/93/87/890369387.db2.gz QFAMPMNMNXUHKW-JTQLQIEISA-N 0 3 285.348 -1.174 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1nonc1C ZINC001419960499 890369428 /nfs/dbraw/zinc/36/94/28/890369428.db2.gz WEHBYZIEDBIYAF-ZCFIWIBFSA-N 0 3 298.303 -1.458 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001419940798 890369991 /nfs/dbraw/zinc/36/99/91/890369991.db2.gz KFMCSOLSMOKYEA-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001419935898 890370166 /nfs/dbraw/zinc/37/01/66/890370166.db2.gz LVNPFXDXWYJXAF-IUCAKERBSA-N 0 3 297.359 -1.434 20 0 CAADHN CNS(=O)(=O)CCC(=O)N(C)CCN(C)C[C@@H](C)O ZINC001419966865 890370597 /nfs/dbraw/zinc/37/05/97/890370597.db2.gz OLXKPHBSXSMJOD-SNVBAGLBSA-N 0 3 295.405 -1.303 20 0 CAADHN CNS(=O)(=O)CCC(=O)N(C)CCN(C)C[C@H](C)O ZINC001419966864 890370860 /nfs/dbraw/zinc/37/08/60/890370860.db2.gz OLXKPHBSXSMJOD-JTQLQIEISA-N 0 3 295.405 -1.303 20 0 CAADHN COCCN(C)CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001419982487 890371145 /nfs/dbraw/zinc/37/11/45/890371145.db2.gz AXGRPAUXZVCBEH-UHFFFAOYSA-N 0 3 298.343 -1.015 20 0 CAADHN COC1CC(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)C1 ZINC001419955319 890371299 /nfs/dbraw/zinc/37/12/99/890371299.db2.gz ROEVJMWXVPCOJH-KYHHOPLUSA-N 0 3 298.343 -1.203 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1nonc1C ZINC001419960496 890371607 /nfs/dbraw/zinc/37/16/07/890371607.db2.gz WEHBYZIEDBIYAF-LURJTMIESA-N 0 3 298.303 -1.458 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CCN(C)CCO ZINC001419994385 890372667 /nfs/dbraw/zinc/37/26/67/890372667.db2.gz MQMABBDWVBKTFH-UHFFFAOYSA-N 0 3 282.366 -2.577 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001420056819 890377267 /nfs/dbraw/zinc/37/72/67/890377267.db2.gz NOVIHRCPQDANPN-VIFPVBQESA-N 0 3 295.343 -1.040 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001420056816 890378160 /nfs/dbraw/zinc/37/81/60/890378160.db2.gz NOVIHRCPQDANPN-SECBINFHSA-N 0 3 295.343 -1.040 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2cnccn2)C1=O ZINC001420091027 890378666 /nfs/dbraw/zinc/37/86/66/890378666.db2.gz PDXWZLZHMFFTBE-UWVGGRQHSA-N 0 3 293.327 -1.612 20 0 CAADHN CN(CCO)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001420054093 890379908 /nfs/dbraw/zinc/37/99/08/890379908.db2.gz HPYSACNGSWPMTJ-UHFFFAOYSA-N 0 3 281.316 -1.428 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ccccn2)C1=O ZINC001420085383 890380438 /nfs/dbraw/zinc/38/04/38/890380438.db2.gz XSCUVZFDKSGAPW-ZYHUDNBSSA-N 0 3 292.339 -1.007 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C(F)F)NCC1CC1 ZINC001420078169 890380510 /nfs/dbraw/zinc/38/05/10/890380510.db2.gz GCLFQIIBRDIWKV-MRVPVSSYSA-N 0 3 279.287 -1.156 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccon1)NCC1CC1 ZINC001420109026 890381757 /nfs/dbraw/zinc/38/17/57/890381757.db2.gz LRFNGOCSZLXTFD-SNVBAGLBSA-N 0 3 296.327 -1.119 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CC1CCOCC1 ZINC001420104994 890382096 /nfs/dbraw/zinc/38/20/96/890382096.db2.gz HUGCNDSANCBRST-LLVKDONJSA-N 0 3 287.360 -1.384 20 0 CAADHN O=C(COCC1CC1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420104886 890382275 /nfs/dbraw/zinc/38/22/75/890382275.db2.gz JYIGTWAZJIECAC-QWRGUYRKSA-N 0 3 285.344 -1.632 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCCO1)NCC1CC1 ZINC001420093897 890382778 /nfs/dbraw/zinc/38/27/78/890382778.db2.gz FLFMSELOKHYFFX-RYUDHWBXSA-N 0 3 299.371 -1.242 20 0 CAADHN O=C(Cc1cc[nH]n1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420096922 890383165 /nfs/dbraw/zinc/38/31/65/890383165.db2.gz DTAJVHCTUDBARU-NXEZZACHSA-N 0 3 281.316 -2.093 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1=CCCC1)C(=O)NC(N)=O ZINC001420094569 890383446 /nfs/dbraw/zinc/38/34/46/890383446.db2.gz DQOXDJIYEQWXIZ-PSASIEDQSA-N 0 3 298.343 -1.253 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccon1)NCC1CC1 ZINC001420109002 890385240 /nfs/dbraw/zinc/38/52/40/890385240.db2.gz LRFNGOCSZLXTFD-JTQLQIEISA-N 0 3 296.327 -1.119 20 0 CAADHN Cc1cncc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001420108147 890385692 /nfs/dbraw/zinc/38/56/92/890385692.db2.gz KITQOOOZPAJAEA-GXSJLCMTSA-N 0 3 280.328 -1.056 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)[nH]n1 ZINC001420099087 890385955 /nfs/dbraw/zinc/38/59/55/890385955.db2.gz GLOUNFDYQSQULI-VHSXEESVSA-N 0 3 295.343 -1.459 20 0 CAADHN O=C(COCC1CC1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420104875 890386168 /nfs/dbraw/zinc/38/61/68/890386168.db2.gz JYIGTWAZJIECAC-GHMZBOCLSA-N 0 3 285.344 -1.632 20 0 CAADHN Cc1cncc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001420108155 890386316 /nfs/dbraw/zinc/38/63/16/890386316.db2.gz KITQOOOZPAJAEA-ONGXEEELSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)nnn1C ZINC001420112298 890386884 /nfs/dbraw/zinc/38/68/84/890386884.db2.gz NGRGJSPQSPVZNG-RKDXNWHRSA-N 0 3 296.331 -2.308 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cnn(C)c2)n[nH]1 ZINC001420114074 890386927 /nfs/dbraw/zinc/38/69/27/890386927.db2.gz UKZHMDFSJVXGGD-SNVBAGLBSA-N 0 3 293.331 -1.273 20 0 CAADHN CC(C)(O)CC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420110028 890387017 /nfs/dbraw/zinc/38/70/17/890387017.db2.gz LVVWHJBUJQXIMQ-IUCAKERBSA-N 0 3 273.333 -1.897 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001420109541 890387434 /nfs/dbraw/zinc/38/74/34/890387434.db2.gz OPUMDUPIQOEIKJ-PSASIEDQSA-N 0 3 283.332 -1.765 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)on1 ZINC001420115932 890387512 /nfs/dbraw/zinc/38/75/12/890387512.db2.gz XHFYUUXQOHNFMW-NXEZZACHSA-N 0 3 296.327 -1.058 20 0 CAADHN CC(C)(O)CC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420110042 890387659 /nfs/dbraw/zinc/38/76/59/890387659.db2.gz LVVWHJBUJQXIMQ-RKDXNWHRSA-N 0 3 273.333 -1.897 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)Cn2cccn2)cn1 ZINC001420113534 890388034 /nfs/dbraw/zinc/38/80/34/890388034.db2.gz QYRRIAYLQVJOKR-GFCCVEGCSA-N 0 3 292.343 -1.117 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cc(C)ncn1)C(N)=O ZINC001420113790 890388373 /nfs/dbraw/zinc/38/83/73/890388373.db2.gz PTWWXRCTYAOMFS-NXEZZACHSA-N 0 3 295.343 -1.271 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cncnc1 ZINC001420113278 890388677 /nfs/dbraw/zinc/38/86/77/890388677.db2.gz JHMVUEKYRWHMLF-WCBMZHEXSA-N 0 3 281.316 -1.709 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2ccon2)n[nH]1 ZINC001420116659 890389071 /nfs/dbraw/zinc/38/90/71/890389071.db2.gz SPSGYYSXLICIHJ-MRVPVSSYSA-N 0 3 280.288 -1.018 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1n[nH]c(C)c1C ZINC001420114631 890389784 /nfs/dbraw/zinc/38/97/84/890389784.db2.gz QQRUIYWWCRUVES-VHSXEESVSA-N 0 3 297.359 -1.159 20 0 CAADHN C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)n1cncn1 ZINC001420115012 890389906 /nfs/dbraw/zinc/38/99/06/890389906.db2.gz LWRRUZQLHXLYPZ-JGVFFNPUSA-N 0 3 270.293 -2.609 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)Cn2cccn2)cn1 ZINC001420113540 890390009 /nfs/dbraw/zinc/39/00/09/890390009.db2.gz QYRRIAYLQVJOKR-LBPRGKRZSA-N 0 3 292.343 -1.117 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420114406 890390159 /nfs/dbraw/zinc/39/01/59/890390159.db2.gz UWGJAQNYMKTXDF-YUMQZZPRSA-N 0 3 283.292 -3.372 20 0 CAADHN CC(C)OCC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001420111508 890390939 /nfs/dbraw/zinc/39/09/39/890390939.db2.gz OIPHPDPSVGOPHK-QWRGUYRKSA-N 0 3 289.376 -1.045 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCOC1 ZINC001420116283 890390601 /nfs/dbraw/zinc/39/06/01/890390601.db2.gz VKIHGHPJOISRPM-VHSXEESVSA-N 0 3 273.333 -1.774 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)o1 ZINC001420110552 890390814 /nfs/dbraw/zinc/39/08/14/890390814.db2.gz KRDBCAOWQBDTHD-CBAPKCEASA-N 0 3 284.316 -1.154 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)CC(C)(C)O ZINC001420120880 890392133 /nfs/dbraw/zinc/39/21/33/890392133.db2.gz ZJGKBELREVXTSV-JTQLQIEISA-N 0 3 289.376 -1.261 20 0 CAADHN Cc1cnccc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001420125599 890392204 /nfs/dbraw/zinc/39/22/04/890392204.db2.gz HCSGDQQARLDIJV-NXEZZACHSA-N 0 3 280.328 -1.056 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCn1cncn1)C(N)=O ZINC001420118178 890392470 /nfs/dbraw/zinc/39/24/70/890392470.db2.gz WMFHTCSWAHWNPU-IUCAKERBSA-N 0 3 284.320 -2.391 20 0 CAADHN Cc1[nH]nc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c1C ZINC001420117126 890392745 /nfs/dbraw/zinc/39/27/45/890392745.db2.gz WDYVJQVPCXKOOU-IUCAKERBSA-N 0 3 283.332 -1.419 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001420117183 890393867 /nfs/dbraw/zinc/39/38/67/890393867.db2.gz UOTSVGJRIUVEIF-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001420119385 890394123 /nfs/dbraw/zinc/39/41/23/890394123.db2.gz WNESCFUMMBFQNJ-IONNQARKSA-N 0 3 271.321 -1.285 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCn1ccnn1)C(N)=O ZINC001420118146 890394199 /nfs/dbraw/zinc/39/41/99/890394199.db2.gz UFSQLFRKOVVBLE-IUCAKERBSA-N 0 3 284.320 -2.391 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001420122756 890394483 /nfs/dbraw/zinc/39/44/83/890394483.db2.gz ASSSGDQKTGQPNF-WDMOLILDSA-N 0 3 299.371 -1.384 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001420124843 890394674 /nfs/dbraw/zinc/39/46/74/890394674.db2.gz FDTJQWFLGGBTJA-NXEZZACHSA-N 0 3 289.332 -2.395 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001420124849 890395066 /nfs/dbraw/zinc/39/50/66/890395066.db2.gz FDTJQWFLGGBTJA-VHSXEESVSA-N 0 3 289.332 -2.395 20 0 CAADHN CS[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001420119980 890395240 /nfs/dbraw/zinc/39/52/40/890395240.db2.gz WYLOMJLVDWFWPV-BQBZGAKWSA-N 0 3 292.361 -2.001 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCn1ccnn1)C(N)=O ZINC001420118154 890395416 /nfs/dbraw/zinc/39/54/16/890395416.db2.gz UFSQLFRKOVVBLE-RKDXNWHRSA-N 0 3 284.320 -2.391 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420123402 890395519 /nfs/dbraw/zinc/39/55/19/890395519.db2.gz AEHJWAZQRDJWDO-RKDXNWHRSA-N 0 3 281.316 -1.713 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCn1cncn1)C(N)=O ZINC001420118173 890395963 /nfs/dbraw/zinc/39/59/63/890395963.db2.gz WMFHTCSWAHWNPU-DTWKUNHWSA-N 0 3 284.320 -2.391 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001420123477 890395748 /nfs/dbraw/zinc/39/57/48/890395748.db2.gz AMNYLTQTGYGMKS-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)CC(C)(C)O ZINC001420120883 890395860 /nfs/dbraw/zinc/39/58/60/890395860.db2.gz ZJGKBELREVXTSV-SNVBAGLBSA-N 0 3 289.376 -1.261 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cn[nH]c1)N1CCCC1 ZINC001420119998 890395997 /nfs/dbraw/zinc/39/59/97/890395997.db2.gz XAINACCGVLUNOM-LLVKDONJSA-N 0 3 295.343 -1.288 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C)[nH]n1 ZINC001420117218 890396031 /nfs/dbraw/zinc/39/60/31/890396031.db2.gz UTSHFFFDHDLZFJ-UWVGGRQHSA-N 0 3 297.359 -1.125 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001420124851 890396112 /nfs/dbraw/zinc/39/61/12/890396112.db2.gz FDTJQWFLGGBTJA-ZJUUUORDSA-N 0 3 289.332 -2.395 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1n[nH]cc1C ZINC001420124932 890396282 /nfs/dbraw/zinc/39/62/82/890396282.db2.gz FQFBDKPYXXBQTH-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001420118317 890396400 /nfs/dbraw/zinc/39/64/00/890396400.db2.gz VUYVCAYTXMFEDI-ZJUUUORDSA-N 0 3 296.327 -1.058 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccns1 ZINC001420136402 890397110 /nfs/dbraw/zinc/39/71/10/890397110.db2.gz LCUYEFVMLHICED-YUMQZZPRSA-N 0 3 286.357 -1.042 20 0 CAADHN NC(=O)CSCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001420132069 890397449 /nfs/dbraw/zinc/39/74/49/890397449.db2.gz IOXLGHUZVBGXQI-QMMMGPOBSA-N 0 3 273.358 -1.206 20 0 CAADHN Cc1cnccc1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001420127004 890397651 /nfs/dbraw/zinc/39/76/51/890397651.db2.gz MSMKZPSRNBAWQY-NSHDSACASA-N 0 3 280.328 -1.515 20 0 CAADHN Cc1cnccc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420128709 890397852 /nfs/dbraw/zinc/39/78/52/890397852.db2.gz PMSICLFFIWIDBV-CMPLNLGQSA-N 0 3 292.339 -1.041 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnc2n1CCC2 ZINC001420134249 890399102 /nfs/dbraw/zinc/39/91/02/890399102.db2.gz DPSSKOJABRHRAQ-VIFPVBQESA-N 0 3 295.343 -1.744 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001420128602 890399254 /nfs/dbraw/zinc/39/92/54/890399254.db2.gz YJZVLPKRWCIQGP-ZYHUDNBSSA-N 0 3 287.360 -1.651 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnc2n1CCC2 ZINC001420134248 890399913 /nfs/dbraw/zinc/39/99/13/890399913.db2.gz DPSSKOJABRHRAQ-SECBINFHSA-N 0 3 295.343 -1.744 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)CC1=O ZINC001420145397 890400129 /nfs/dbraw/zinc/40/01/29/890400129.db2.gz MLAKUQGRTPXLRM-IUCAKERBSA-N 0 3 286.332 -2.593 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001420137538 890400489 /nfs/dbraw/zinc/40/04/89/890400489.db2.gz YTBSDRYYWRZHBD-JGVFFNPUSA-N 0 3 272.305 -2.793 20 0 CAADHN Cc1cnccc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420128720 890400733 /nfs/dbraw/zinc/40/07/33/890400733.db2.gz PMSICLFFIWIDBV-ZYHUDNBSSA-N 0 3 292.339 -1.041 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)O1 ZINC001420150618 890401991 /nfs/dbraw/zinc/40/19/91/890401991.db2.gz VBCUJFJBIDNETK-DVVUODLYSA-N 0 3 283.328 -1.391 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccc(=O)n(C)c1)C(N)=O ZINC001420157523 890402187 /nfs/dbraw/zinc/40/21/87/890402187.db2.gz OYKRPQXNLBSBGH-PSASIEDQSA-N 0 3 296.327 -2.061 20 0 CAADHN Cn1cncc1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001420147366 890402257 /nfs/dbraw/zinc/40/22/57/890402257.db2.gz DIDCTMNOACISEQ-JTQLQIEISA-N 0 3 295.343 -1.621 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001420156124 890402299 /nfs/dbraw/zinc/40/22/99/890402299.db2.gz GWZREWVRNVXVAZ-VHSXEESVSA-N 0 3 297.359 -1.125 20 0 CAADHN Cc1cncc(CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c1 ZINC001420159101 890402370 /nfs/dbraw/zinc/40/23/70/890402370.db2.gz PYLAVNQAFJEKGU-PWSUYJOCSA-N 0 3 294.355 -1.127 20 0 CAADHN Cc1nnccc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420164277 890402578 /nfs/dbraw/zinc/40/25/78/890402578.db2.gz YDNSQFMHMMSZPD-GXSJLCMTSA-N 0 3 293.327 -1.646 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc(C2CC2)on1 ZINC001420163761 890402977 /nfs/dbraw/zinc/40/29/77/890402977.db2.gz UQMBZGDZRHSICZ-QMMMGPOBSA-N 0 3 282.300 -1.282 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CNCC(N)=O)c1Cl ZINC001420162911 890403030 /nfs/dbraw/zinc/40/30/30/890403030.db2.gz XUEXWELHXHGMIV-ZCFIWIBFSA-N 0 3 289.723 -1.761 20 0 CAADHN Cc1nnccc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420164278 890403114 /nfs/dbraw/zinc/40/31/14/890403114.db2.gz YDNSQFMHMMSZPD-KOLCDFICSA-N 0 3 293.327 -1.646 20 0 CAADHN O=C(Cc1cnoc1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001420164031 890403142 /nfs/dbraw/zinc/40/31/42/890403142.db2.gz LPCOTQNOXWVLPC-LLVKDONJSA-N 0 3 296.327 -1.484 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC001420156127 890403190 /nfs/dbraw/zinc/40/31/90/890403190.db2.gz GWZREWVRNVXVAZ-ZJUUUORDSA-N 0 3 297.359 -1.125 20 0 CAADHN CO[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001420152258 890403330 /nfs/dbraw/zinc/40/33/30/890403330.db2.gz HPVGWDYCAZPZCO-MWLCHTKSSA-N 0 3 299.331 -2.340 20 0 CAADHN CO[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001420152246 890403360 /nfs/dbraw/zinc/40/33/60/890403360.db2.gz HPVGWDYCAZPZCO-GXSJLCMTSA-N 0 3 299.331 -2.340 20 0 CAADHN Cn1cnn(CCC(=O)N2CC(N[C@@H]3CCOC3)C2)c1=O ZINC001420150644 890403471 /nfs/dbraw/zinc/40/34/71/890403471.db2.gz VDCXFILRAKJPPB-SNVBAGLBSA-N 0 3 295.343 -1.439 20 0 CAADHN Cn1cnn(CCC(=O)N2CC(N[C@H]3CCOC3)C2)c1=O ZINC001420150637 890403493 /nfs/dbraw/zinc/40/34/93/890403493.db2.gz VDCXFILRAKJPPB-JTQLQIEISA-N 0 3 295.343 -1.439 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CNCC(N)=O)cc(=O)[nH]1 ZINC001420150702 890403602 /nfs/dbraw/zinc/40/36/02/890403602.db2.gz MASAQCOLLHYLMJ-SNVBAGLBSA-N 0 3 296.327 -1.485 20 0 CAADHN Cc1cncc(CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001420159098 890403716 /nfs/dbraw/zinc/40/37/16/890403716.db2.gz PYLAVNQAFJEKGU-JQWIXIFHSA-N 0 3 294.355 -1.127 20 0 CAADHN O=C(Cc1cnoc1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001420164034 890403782 /nfs/dbraw/zinc/40/37/82/890403782.db2.gz LPCOTQNOXWVLPC-NSHDSACASA-N 0 3 296.327 -1.484 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc(C2CC2)on1 ZINC001420163759 890403836 /nfs/dbraw/zinc/40/38/36/890403836.db2.gz UQMBZGDZRHSICZ-MRVPVSSYSA-N 0 3 282.300 -1.282 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1csnn1 ZINC001420157218 890403958 /nfs/dbraw/zinc/40/39/58/890403958.db2.gz LUWIXCAJLYHLJX-BQBZGAKWSA-N 0 3 285.329 -1.893 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N1CCC1 ZINC001420162564 890403865 /nfs/dbraw/zinc/40/38/65/890403865.db2.gz JSUPXVCFUZXFJF-DCQANWLSSA-N 0 3 297.355 -1.822 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccc(=O)n(C)c1)C(N)=O ZINC001420157526 890404663 /nfs/dbraw/zinc/40/46/63/890404663.db2.gz OYKRPQXNLBSBGH-WPRPVWTQSA-N 0 3 296.327 -2.061 20 0 CAADHN CO[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001420152261 890404702 /nfs/dbraw/zinc/40/47/02/890404702.db2.gz HPVGWDYCAZPZCO-ONGXEEELSA-N 0 3 299.331 -2.340 20 0 CAADHN Cc1nn(C)c(C)c1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001420165733 890406092 /nfs/dbraw/zinc/40/60/92/890406092.db2.gz UBDFRQJBKDEIFT-SCZZXKLOSA-N 0 3 297.359 -1.409 20 0 CAADHN Cn1cc(Cl)cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001420164948 890406488 /nfs/dbraw/zinc/40/64/88/890406488.db2.gz YHYAMHVIRPHYHV-MRVPVSSYSA-N 0 3 288.735 -1.156 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC ZINC001420164636 890406821 /nfs/dbraw/zinc/40/68/21/890406821.db2.gz YVQBWNBPIRJCML-BDAKNGLRSA-N 0 3 297.359 -1.213 20 0 CAADHN Cc1nnccc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420164280 890408001 /nfs/dbraw/zinc/40/80/01/890408001.db2.gz YDNSQFMHMMSZPD-ONGXEEELSA-N 0 3 293.327 -1.646 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1[nH]c(C)nc1C ZINC001420177865 890408223 /nfs/dbraw/zinc/40/82/23/890408223.db2.gz YIRAAQDQUXEFNB-SNVBAGLBSA-N 0 3 297.359 -1.157 20 0 CAADHN Cc1cc(CCC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)no1 ZINC001420175653 890408251 /nfs/dbraw/zinc/40/82/51/890408251.db2.gz NPAUGWYBTOFUST-ONGXEEELSA-N 0 3 298.343 -1.144 20 0 CAADHN CC(C)n1cc(C(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001420191179 890409911 /nfs/dbraw/zinc/40/99/11/890409911.db2.gz LKMVRRKUQYDEFK-SNVBAGLBSA-N 0 3 283.332 -1.370 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cccnn1 ZINC001420188685 890409926 /nfs/dbraw/zinc/40/99/26/890409926.db2.gz CYOCPOIHFTYNBM-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN CCCn1cc(C(=O)NC[C@H](O)CNCC(=O)NC)nn1 ZINC001420186792 890410018 /nfs/dbraw/zinc/41/00/18/890410018.db2.gz RNDPIGZCNUGQRW-SECBINFHSA-N 0 3 298.347 -1.886 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001420190418 890410185 /nfs/dbraw/zinc/41/01/85/890410185.db2.gz ORLYUTCVTRZIIT-SECBINFHSA-N 0 3 288.348 -2.299 20 0 CAADHN Cc1cccc(OCC(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001420195464 890410249 /nfs/dbraw/zinc/41/02/49/890410249.db2.gz YHTMENFOKZBWSL-LLVKDONJSA-N 0 3 295.339 -1.074 20 0 CAADHN CN(C)c1ncccc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001420186042 890410424 /nfs/dbraw/zinc/41/04/24/890410424.db2.gz BJJYQTMWVSKZCZ-VIFPVBQESA-N 0 3 295.343 -1.687 20 0 CAADHN Cc1cc(CNC[C@@H](O)CNC(=O)c2nnc[nH]2)nn1C ZINC001420191987 890410442 /nfs/dbraw/zinc/41/04/42/890410442.db2.gz HMCJLOKAPYJCNJ-SNVBAGLBSA-N 0 3 293.331 -1.273 20 0 CAADHN Cc1cc(CNC[C@@H](O)CNC(=O)c2ncn[nH]2)nn1C ZINC001420191987 890410445 /nfs/dbraw/zinc/41/04/45/890410445.db2.gz HMCJLOKAPYJCNJ-SNVBAGLBSA-N 0 3 293.331 -1.273 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccnnc1 ZINC001420191864 890410495 /nfs/dbraw/zinc/41/04/95/890410495.db2.gz LRJQCHDIOPPHCJ-NXEZZACHSA-N 0 3 279.300 -1.955 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1nocc1C ZINC001420191480 890410503 /nfs/dbraw/zinc/41/05/03/890410503.db2.gz DYUJZKYJRXFVGI-MRVPVSSYSA-N 0 3 270.289 -1.591 20 0 CAADHN CCc1nc(C(=O)NC[C@H](O)CNCC(=O)NC)c(C)o1 ZINC001420196355 890410566 /nfs/dbraw/zinc/41/05/66/890410566.db2.gz XPMHQDWBSBUCFR-SECBINFHSA-N 0 3 298.343 -1.028 20 0 CAADHN Cc1cccc(OCC(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001420195466 890410968 /nfs/dbraw/zinc/41/09/68/890410968.db2.gz YHTMENFOKZBWSL-NSHDSACASA-N 0 3 295.339 -1.074 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@]1(C)CCOC1 ZINC001420185205 890411011 /nfs/dbraw/zinc/41/10/11/890411011.db2.gz MOFWXGMRRNDJEZ-ZWNOBZJWSA-N 0 3 287.360 -1.384 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001420190469 890411254 /nfs/dbraw/zinc/41/12/54/890411254.db2.gz ORLYUTCVTRZIIT-VIFPVBQESA-N 0 3 288.348 -2.299 20 0 CAADHN CCCn1cc(C(=O)NC[C@@H](O)CNCC(=O)NC)nn1 ZINC001420186795 890411457 /nfs/dbraw/zinc/41/14/57/890411457.db2.gz RNDPIGZCNUGQRW-VIFPVBQESA-N 0 3 298.347 -1.886 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c1C ZINC001420193387 890411490 /nfs/dbraw/zinc/41/14/90/890411490.db2.gz ILPOLAIYWYFDIH-PSASIEDQSA-N 0 3 297.359 -1.234 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2cnon2)C1=O ZINC001420188538 890411580 /nfs/dbraw/zinc/41/15/80/890411580.db2.gz BTPQLCXNKITPLH-SFYZADRCSA-N 0 3 283.288 -2.019 20 0 CAADHN CCn1ccc(C(=O)NC[C@@H](O)CNCC(=O)NC)n1 ZINC001420183963 890411730 /nfs/dbraw/zinc/41/17/30/890411730.db2.gz QZXQEIISVVFFGK-VIFPVBQESA-N 0 3 283.332 -1.671 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)c1cccnc1 ZINC001420190734 890411765 /nfs/dbraw/zinc/41/17/65/890411765.db2.gz FGJQHJJFCJXATH-KOLCDFICSA-N 0 3 280.328 -1.263 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@]1(C)CCOC1 ZINC001420185200 890411815 /nfs/dbraw/zinc/41/18/15/890411815.db2.gz MOFWXGMRRNDJEZ-GXFFZTMASA-N 0 3 287.360 -1.384 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC12CCC2 ZINC001420185265 890411833 /nfs/dbraw/zinc/41/18/33/890411833.db2.gz YQWZVBJURFUNHX-BDAKNGLRSA-N 0 3 298.343 -1.562 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ncccn1)N1CCC1 ZINC001420201163 890413430 /nfs/dbraw/zinc/41/34/30/890413430.db2.gz UHUQDNCPORKCKQ-JTQLQIEISA-N 0 3 293.327 -1.611 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420206622 890413804 /nfs/dbraw/zinc/41/38/04/890413804.db2.gz RQGFFUVMLKQEML-YUMQZZPRSA-N 0 3 283.288 -2.053 20 0 CAADHN NC(=O)NCCC(=O)NC[C@@H](O)CNCc1cccnc1 ZINC001420199206 890413821 /nfs/dbraw/zinc/41/38/21/890413821.db2.gz BIOIJKAQUIFUQJ-NSHDSACASA-N 0 3 295.343 -1.293 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNCc1cn(C)nn1)N(C)C ZINC001420197617 890413833 /nfs/dbraw/zinc/41/38/33/890413833.db2.gz PJFXEDJIZADIJO-RYUDHWBXSA-N 0 3 298.391 -1.278 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cn1cncn1)C(N)=O ZINC001420198820 890413987 /nfs/dbraw/zinc/41/39/87/890413987.db2.gz AILLWPAWOHYZSD-RKDXNWHRSA-N 0 3 284.320 -2.391 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2ccncn2)C1=O ZINC001420202608 890413999 /nfs/dbraw/zinc/41/39/99/890413999.db2.gz WFEJKXNYAFHWFJ-ONGXEEELSA-N 0 3 293.327 -1.612 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420206621 890414111 /nfs/dbraw/zinc/41/41/11/890414111.db2.gz RQGFFUVMLKQEML-SFYZADRCSA-N 0 3 283.288 -2.053 20 0 CAADHN CC(C)(C)c1n[nH]cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001420200960 890414209 /nfs/dbraw/zinc/41/42/09/890414209.db2.gz VZVLKXXUORFAAI-QMMMGPOBSA-N 0 3 297.359 -1.127 20 0 CAADHN CC(C)(C)c1n[nH]cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001420200954 890414369 /nfs/dbraw/zinc/41/43/69/890414369.db2.gz VZVLKXXUORFAAI-MRVPVSSYSA-N 0 3 297.359 -1.127 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)ccn1 ZINC001420201354 890414919 /nfs/dbraw/zinc/41/49/19/890414919.db2.gz UQEOHSIOBVWVIB-NWDGAFQWSA-N 0 3 292.339 -1.041 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)Cn1cncn1 ZINC001420208588 890414945 /nfs/dbraw/zinc/41/49/45/890414945.db2.gz WOFVYQMLZSNLCZ-NSHDSACASA-N 0 3 293.331 -1.722 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)CNC(=O)NC ZINC001420231208 890417177 /nfs/dbraw/zinc/41/71/77/890417177.db2.gz FBCARVIBQXJUMB-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001420217444 890417215 /nfs/dbraw/zinc/41/72/15/890417215.db2.gz AIMLIIASQWLPMC-UWVGGRQHSA-N 0 3 295.343 -1.323 20 0 CAADHN O=C(Cc1ccc[nH]1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420223685 890418686 /nfs/dbraw/zinc/41/86/86/890418686.db2.gz XUZSKUITSZPVHM-WDEREUQCSA-N 0 3 280.328 -1.488 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NCCN(C)C[C@@H](C)O ZINC001420216549 890418751 /nfs/dbraw/zinc/41/87/51/890418751.db2.gz XJZYGWAKNMCUIK-ZJUUUORDSA-N 0 3 295.405 -1.257 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001420243595 890420237 /nfs/dbraw/zinc/42/02/37/890420237.db2.gz ULIOKZDDDJSTTQ-VIFPVBQESA-N 0 3 293.327 -1.290 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CN1CCOCC1 ZINC001420246448 890420455 /nfs/dbraw/zinc/42/04/55/890420455.db2.gz POCZJWKHKWFJKY-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)Cc1cc[nH]n1 ZINC001420268159 890420511 /nfs/dbraw/zinc/42/05/11/890420511.db2.gz FUIMUUGPPMIQCB-MRVPVSSYSA-N 0 3 296.331 -1.498 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1CCC(=O)N1 ZINC001420237148 890420824 /nfs/dbraw/zinc/42/08/24/890420824.db2.gz CBQFSVIDTJWJNH-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC(=O)NC)C(=O)COC ZINC001420243961 890421008 /nfs/dbraw/zinc/42/10/08/890421008.db2.gz LOINGWKKPMEWNJ-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)Cn1ncnn1 ZINC001420240295 890421026 /nfs/dbraw/zinc/42/10/26/890421026.db2.gz FNIJPQBDBAMHLU-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001420265165 890421259 /nfs/dbraw/zinc/42/12/59/890421259.db2.gz GFSCGBUBXCPPPP-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CS(=O)(=O)NC ZINC001420256567 890421325 /nfs/dbraw/zinc/42/13/25/890421325.db2.gz VZFJIPCFVSUAHF-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001420253676 890421856 /nfs/dbraw/zinc/42/18/56/890421856.db2.gz OHOBBLORXQFNNJ-SNVBAGLBSA-N 0 3 284.316 -1.149 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)CNC(C)=O)C(N)=O ZINC001420244503 890422276 /nfs/dbraw/zinc/42/22/76/890422276.db2.gz WURDAUJEMIVLDK-SNVBAGLBSA-N 0 3 272.349 -1.176 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001420270168 890422468 /nfs/dbraw/zinc/42/24/68/890422468.db2.gz CZWDFKKHLMBDCA-SECBINFHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)CCn1cccn1 ZINC001420265021 890423013 /nfs/dbraw/zinc/42/30/13/890423013.db2.gz BTVOLLCEZQMQJF-SECBINFHSA-N 0 3 296.331 -1.438 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CNC(=O)C1CC1 ZINC001420268826 890423134 /nfs/dbraw/zinc/42/31/34/890423134.db2.gz JIYVQPRDUDPWLS-SFYZADRCSA-N 0 3 270.333 -1.519 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)CNC(C)=O)C(N)=O ZINC001420244502 890423227 /nfs/dbraw/zinc/42/32/27/890423227.db2.gz WURDAUJEMIVLDK-JTQLQIEISA-N 0 3 272.349 -1.176 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001420284851 890424595 /nfs/dbraw/zinc/42/45/95/890424595.db2.gz SQEAMKZULNSYJM-SNVBAGLBSA-N 0 3 281.360 -1.040 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CN1CCOCC1 ZINC001420278855 890425084 /nfs/dbraw/zinc/42/50/84/890425084.db2.gz IQXMZRYERIPOJK-GHMZBOCLSA-N 0 3 284.360 -1.699 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCn1ccnn1 ZINC001420274505 890425456 /nfs/dbraw/zinc/42/54/56/890425456.db2.gz DPJHJFFLMJDKIE-ZJUUUORDSA-N 0 3 282.348 -1.103 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)c1ncn(C)n1 ZINC001420272992 890425621 /nfs/dbraw/zinc/42/56/21/890425621.db2.gz CZSNGIMDZSWJLS-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CN(CCO)CCNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001420284847 890426617 /nfs/dbraw/zinc/42/66/17/890426617.db2.gz SQEAMKZULNSYJM-JTQLQIEISA-N 0 3 281.360 -1.040 20 0 CAADHN CN(CCNC(=O)Cc1nnc[nH]1)[C@H]1CCCNC1=O ZINC001420327849 890429172 /nfs/dbraw/zinc/42/91/72/890429172.db2.gz HQRNCFWHZIOQJD-VIFPVBQESA-N 0 3 280.332 -1.326 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCN1CCOCC1 ZINC001420336483 890429566 /nfs/dbraw/zinc/42/95/66/890429566.db2.gz CMSSFPTVNRZQRY-MNOVXSKESA-N 0 3 286.376 -1.323 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001420309687 890430006 /nfs/dbraw/zinc/43/00/06/890430006.db2.gz OQEQSPSNARTRNB-NOZJJQNGSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)Cn1ncn(C)c1=O ZINC001420311994 890430271 /nfs/dbraw/zinc/43/02/71/890430271.db2.gz SLWQSXKWCQGCEI-SECBINFHSA-N 0 3 298.347 -2.236 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001420301759 890430455 /nfs/dbraw/zinc/43/04/55/890430455.db2.gz YZXIITURGYIPRC-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN CN(CCNC(=O)Cc1nnc[nH]1)[C@@H]1CCCNC1=O ZINC001420327844 890430749 /nfs/dbraw/zinc/43/07/49/890430749.db2.gz HQRNCFWHZIOQJD-SECBINFHSA-N 0 3 280.332 -1.326 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001420339698 890432113 /nfs/dbraw/zinc/43/21/13/890432113.db2.gz GZQMKQXUOMBROG-NXEZZACHSA-N 0 3 299.375 -1.371 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001420337388 890432222 /nfs/dbraw/zinc/43/22/22/890432222.db2.gz JZCLQPXZDZVFEQ-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CNCc1nnn(C)n1)NC(=O)c1[nH]ncc1F ZINC001420342737 890432553 /nfs/dbraw/zinc/43/25/53/890432553.db2.gz KTKSUHCPIZCTDL-ZCFIWIBFSA-N 0 3 282.283 -1.020 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1nc2ncccn2n1 ZINC001420347641 890432630 /nfs/dbraw/zinc/43/26/30/890432630.db2.gz JWRMNUQEOXRQQN-MRVPVSSYSA-N 0 3 291.315 -1.422 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001420338905 890432810 /nfs/dbraw/zinc/43/28/10/890432810.db2.gz CXBXHJCFNAPDPH-JTQLQIEISA-N 0 3 299.375 -1.027 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)COCc1nncn1C ZINC001420356927 890432914 /nfs/dbraw/zinc/43/29/14/890432914.db2.gz MMCBZUCPRQZDFE-BDAKNGLRSA-N 0 3 298.347 -1.700 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C1(S(C)(=O)=O)CCC1 ZINC001420358856 890433543 /nfs/dbraw/zinc/43/35/43/890433543.db2.gz VQVZTACMGCCXEK-MRVPVSSYSA-N 0 3 291.373 -1.467 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)Cn1nnnc1C(C)C ZINC001420344182 890433856 /nfs/dbraw/zinc/43/38/56/890433856.db2.gz PBIFGMHLTSJADY-SECBINFHSA-N 0 3 297.363 -1.363 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001420352029 890434110 /nfs/dbraw/zinc/43/41/10/890434110.db2.gz KZAZXCHCTBDANU-SSDOTTSWSA-N 0 3 281.316 -1.433 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cccnn1 ZINC001420355897 890434159 /nfs/dbraw/zinc/43/41/59/890434159.db2.gz JZBCUDMFESZXKM-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN CCO[C@H](C)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001420393241 890435335 /nfs/dbraw/zinc/43/53/35/890435335.db2.gz SHFYLYPDXPWTNT-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1COCCO1 ZINC001420395201 890435581 /nfs/dbraw/zinc/43/55/81/890435581.db2.gz YSBDTLBBMHQOHE-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001420404678 890436165 /nfs/dbraw/zinc/43/61/65/890436165.db2.gz ZTZXFWVAJOQDDR-WCBMZHEXSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001420375800 890436679 /nfs/dbraw/zinc/43/66/79/890436679.db2.gz XMHGYKPMJNFHTH-FXPVBKGRSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)CNC(=O)C1CC1 ZINC001420395382 890436508 /nfs/dbraw/zinc/43/65/08/890436508.db2.gz ZSRPVJDGLPBQHW-GXSJLCMTSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)[C@H]1CCC(=O)N1 ZINC001420394982 890436868 /nfs/dbraw/zinc/43/68/68/890436868.db2.gz JVAANSSHKCZPSX-LPEHRKFASA-N 0 3 284.360 -1.164 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001420391422 890436887 /nfs/dbraw/zinc/43/68/87/890436887.db2.gz DALVKBSOVVPOTQ-QMMMGPOBSA-N 0 3 274.321 -1.475 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001420391686 890436945 /nfs/dbraw/zinc/43/69/45/890436945.db2.gz CPPWCTKFZIMTMS-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cc1ccon1)C(=O)NC(N)=O ZINC001420402818 890436978 /nfs/dbraw/zinc/43/69/78/890436978.db2.gz HSFIFJAZYKYRMU-JGVFFNPUSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)Cc1cncn1C ZINC001420367380 890437240 /nfs/dbraw/zinc/43/72/40/890437240.db2.gz QXJPYLVZZYTAOU-KOLCDFICSA-N 0 3 279.344 -1.055 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)c1ccn[nH]1 ZINC001420390742 890437409 /nfs/dbraw/zinc/43/74/09/890437409.db2.gz DNYJMSNQPGSVFK-YUMQZZPRSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1ccon1 ZINC001420402822 890437440 /nfs/dbraw/zinc/43/74/40/890437440.db2.gz HSFIFJAZYKYRMU-YUMQZZPRSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1COCCO1 ZINC001420395197 890437547 /nfs/dbraw/zinc/43/75/47/890437547.db2.gz YSBDTLBBMHQOHE-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CN1CCOCC1 ZINC001420408562 890439164 /nfs/dbraw/zinc/43/91/64/890439164.db2.gz IQXMZRYERIPOJK-WDEREUQCSA-N 0 3 284.360 -1.699 20 0 CAADHN COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001420431001 890439255 /nfs/dbraw/zinc/43/92/55/890439255.db2.gz KBDPCBJIKVUSHL-DTWKUNHWSA-N 0 3 284.316 -1.103 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1)C(N)=O ZINC001420430848 890439618 /nfs/dbraw/zinc/43/96/18/890439618.db2.gz HSHFADNBTZRWSE-DJLDLDEBSA-N 0 3 270.333 -1.377 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001420447470 890439661 /nfs/dbraw/zinc/43/96/61/890439661.db2.gz ZABNGULVPKUXJF-IUCAKERBSA-N 0 3 291.373 -1.609 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001420422338 890439767 /nfs/dbraw/zinc/43/97/67/890439767.db2.gz VAICNKRXTRWJIN-IUCAKERBSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@H](C)NC(N)=O)C(=O)NC1CC1 ZINC001420413045 890439897 /nfs/dbraw/zinc/43/98/97/890439897.db2.gz IJNQPRONMIRFFZ-YIZRAAEISA-N 0 3 299.375 -1.195 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001420437226 890440392 /nfs/dbraw/zinc/44/03/92/890440392.db2.gz JLGZRYMBUDAHIU-VIFPVBQESA-N 0 3 298.347 -2.188 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001420406852 890440479 /nfs/dbraw/zinc/44/04/79/890440479.db2.gz XARKUARBTRYVRZ-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001420423545 890440576 /nfs/dbraw/zinc/44/05/76/890440576.db2.gz SIGPNSMKXFDBDE-UBJUHAIHSA-N 0 3 284.316 -1.688 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)[C@H](C)NC(N)=O ZINC001420413043 890441221 /nfs/dbraw/zinc/44/12/21/890441221.db2.gz IJNQPRONMIRFFZ-CIUDSAMLSA-N 0 3 299.375 -1.195 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1ncc[nH]1 ZINC001420420878 890441678 /nfs/dbraw/zinc/44/16/78/890441678.db2.gz MIUQGTQWGOQFDV-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001420422374 890441900 /nfs/dbraw/zinc/44/19/00/890441900.db2.gz VIDXMBJEFBEAIL-VHSXEESVSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1cnn(C)n1 ZINC001420486496 890443688 /nfs/dbraw/zinc/44/36/88/890443688.db2.gz WNLLWLHSZALEIO-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN O=C(Cc1nnc[nH]1)NC[C@H]1CCCN1[C@H]1CCNC1=O ZINC001420491742 890443991 /nfs/dbraw/zinc/44/39/91/890443991.db2.gz FISSOHKHWQUEAN-ZJUUUORDSA-N 0 3 292.343 -1.184 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001420497438 890444907 /nfs/dbraw/zinc/44/49/07/890444907.db2.gz WBSWAHHSGMMOIA-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001420466075 890445050 /nfs/dbraw/zinc/44/50/50/890445050.db2.gz DVWKXUOAJVYVEG-ZANVPECISA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001420482683 890445323 /nfs/dbraw/zinc/44/53/23/890445323.db2.gz QHDNVTFEGFDZJT-FXQIFTODSA-N 0 3 299.331 -2.187 20 0 CAADHN O=C(Cc1nnc[nH]1)NC[C@H]1CCCN1[C@@H]1CCNC1=O ZINC001420491739 890445983 /nfs/dbraw/zinc/44/59/83/890445983.db2.gz FISSOHKHWQUEAN-NXEZZACHSA-N 0 3 292.343 -1.184 20 0 CAADHN CCN(CCO)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001420451646 890446304 /nfs/dbraw/zinc/44/63/04/890446304.db2.gz VOVONWFBOKAOHH-UHFFFAOYSA-N 0 3 284.320 -2.193 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CCN1CCCC1=O ZINC001420515002 890448032 /nfs/dbraw/zinc/44/80/32/890448032.db2.gz ZVBMPTRXKJPPRN-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)CCO ZINC001420563103 890448110 /nfs/dbraw/zinc/44/81/10/890448110.db2.gz AIWCSANONHZFHN-UWVGGRQHSA-N 0 3 295.405 -1.257 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001420518653 890448212 /nfs/dbraw/zinc/44/82/12/890448212.db2.gz YCWBWKYOMGOFJY-LURJTMIESA-N 0 3 283.288 -2.321 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)Cn1cncn1 ZINC001420499855 890448587 /nfs/dbraw/zinc/44/85/87/890448587.db2.gz KMWVYZXIBLZUEV-JTQLQIEISA-N 0 3 294.359 -1.101 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001420504033 890448969 /nfs/dbraw/zinc/44/89/69/890448969.db2.gz FWNCWWVHAIYIDQ-QMMMGPOBSA-N 0 3 298.347 -2.269 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001420523375 890449526 /nfs/dbraw/zinc/44/95/26/890449526.db2.gz YCCDWUQKMSHHQZ-IUCAKERBSA-N 0 3 295.343 -1.680 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001420499338 890449830 /nfs/dbraw/zinc/44/98/30/890449830.db2.gz ZTHKKWBCABPYHC-JGVFFNPUSA-N 0 3 295.343 -1.044 20 0 CAADHN CC(=O)NCC(=O)NC[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001420499127 890450292 /nfs/dbraw/zinc/45/02/92/890450292.db2.gz HFWRNINFPNZOJA-VXGBXAGGSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001420501867 890450579 /nfs/dbraw/zinc/45/05/79/890450579.db2.gz JONDDQQXWVHSKI-AEJSXWLSSA-N 0 3 282.344 -1.362 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001420507348 890450589 /nfs/dbraw/zinc/45/05/89/890450589.db2.gz ZJZKDEXDUFRJMZ-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001420640433 890452557 /nfs/dbraw/zinc/45/25/57/890452557.db2.gz NAFHDSFMDGGKPG-ZJUUUORDSA-N 0 3 285.348 -1.128 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001420602998 890452640 /nfs/dbraw/zinc/45/26/40/890452640.db2.gz SLNDUPZAHAUTMR-SNVBAGLBSA-N 0 3 285.348 -1.335 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)CCNC(N)=O)C1 ZINC001420566156 890452838 /nfs/dbraw/zinc/45/28/38/890452838.db2.gz MZKRUOQNAGFOTL-NXEZZACHSA-N 0 3 299.375 -1.253 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)CN(C)CCO ZINC001420634882 890453632 /nfs/dbraw/zinc/45/36/32/890453632.db2.gz CMRUZFMEUYWUHK-DTWKUNHWSA-N 0 3 281.378 -1.647 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)c1cnn(C)n1 ZINC001420640428 890453760 /nfs/dbraw/zinc/45/37/60/890453760.db2.gz NAFHDSFMDGGKPG-UWVGGRQHSA-N 0 3 285.348 -1.128 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001420583538 890455097 /nfs/dbraw/zinc/45/50/97/890455097.db2.gz PFIACZKGKNLQNU-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](NC(=O)COC)C1CC1 ZINC001420700904 890457605 /nfs/dbraw/zinc/45/76/05/890457605.db2.gz QKUQOCXNUGWDLS-VIFPVBQESA-N 0 3 286.332 -1.427 20 0 CAADHN Cn1cnc(C(=O)NCCN(CCO)C2CC2)cc1=O ZINC001420651817 890457646 /nfs/dbraw/zinc/45/76/46/890457646.db2.gz BFOBDZPXSCEVPI-UHFFFAOYSA-N 0 3 280.328 -1.033 20 0 CAADHN O=C(NCCN(C1CC1)[C@H]1CCNC1=O)c1ncn[nH]1 ZINC001420686879 890458405 /nfs/dbraw/zinc/45/84/05/890458405.db2.gz IZPQOQXNIXOPFC-VIFPVBQESA-N 0 3 278.316 -1.113 20 0 CAADHN O=C(NCCN(C1CC1)[C@H]1CCNC1=O)c1nc[nH]n1 ZINC001420686879 890458416 /nfs/dbraw/zinc/45/84/16/890458416.db2.gz IZPQOQXNIXOPFC-VIFPVBQESA-N 0 3 278.316 -1.113 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1)C(N)=O ZINC001420735944 890459602 /nfs/dbraw/zinc/45/96/02/890459602.db2.gz STNNJKJFILJPTI-NXEZZACHSA-N 0 3 299.375 -1.301 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001420726991 890459896 /nfs/dbraw/zinc/45/98/96/890459896.db2.gz OHJJYQVZIYBXMO-IUCAKERBSA-N 0 3 283.332 -2.054 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)CN1CCOCC1)C1CC1)C(N)=O ZINC001420721201 890459984 /nfs/dbraw/zinc/45/99/84/890459984.db2.gz GDUSHIKIULQWIF-CMPLNLGQSA-N 0 3 298.387 -1.323 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001420737586 890460235 /nfs/dbraw/zinc/46/02/35/890460235.db2.gz UCXBFRIKIIGAMQ-UWVGGRQHSA-N 0 3 298.343 -1.285 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001420719771 890460306 /nfs/dbraw/zinc/46/03/06/890460306.db2.gz VQEBZLUCQBYFEM-OIBJUYFYSA-N 0 3 270.333 -1.519 20 0 CAADHN COC(=O)NCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001420737593 890460326 /nfs/dbraw/zinc/46/03/26/890460326.db2.gz UCXBFRIKIIGAMQ-VHSXEESVSA-N 0 3 298.343 -1.285 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cccc(C(N)=O)n1)C(N)=O ZINC001420743551 890460552 /nfs/dbraw/zinc/46/05/52/890460552.db2.gz NGYQRXVUGXGHSY-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CCCn1cncn1 ZINC001420723816 890460668 /nfs/dbraw/zinc/46/06/68/890460668.db2.gz FRHVJADBYWHSHE-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001420740334 890460692 /nfs/dbraw/zinc/46/06/92/890460692.db2.gz WNHIOCZBIVEHNR-CBAPKCEASA-N 0 3 286.332 -1.299 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001420726994 890460707 /nfs/dbraw/zinc/46/07/07/890460707.db2.gz OHJJYQVZIYBXMO-RKDXNWHRSA-N 0 3 283.332 -2.054 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1c[nH]c(=O)cn1)C(=O)N(C)C ZINC001420721933 890461002 /nfs/dbraw/zinc/46/10/02/890461002.db2.gz DESFFTDIUMXATM-VIFPVBQESA-N 0 3 295.343 -1.092 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCNC(N)=O)C(=O)NC1CC1 ZINC001420739334 890461012 /nfs/dbraw/zinc/46/10/12/890461012.db2.gz JXSGOZHIJYEDQM-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001420714892 890461026 /nfs/dbraw/zinc/46/10/26/890461026.db2.gz LOYNAZAGMJUQCY-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CS(=O)(=O)NC ZINC001420744552 890461171 /nfs/dbraw/zinc/46/11/71/890461171.db2.gz OZICPUCAXHPOQF-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001420714486 890461233 /nfs/dbraw/zinc/46/12/33/890461233.db2.gz LFICMLPKIUBZOZ-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001420726983 890461245 /nfs/dbraw/zinc/46/12/45/890461245.db2.gz OHJJYQVZIYBXMO-BDAKNGLRSA-N 0 3 283.332 -2.054 20 0 CAADHN COC(=O)NCC(=O)N[C@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001420740337 890461576 /nfs/dbraw/zinc/46/15/76/890461576.db2.gz WNHIOCZBIVEHNR-IONNQARKSA-N 0 3 286.332 -1.299 20 0 CAADHN COC(=O)NCC(=O)N[C@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001420740341 890461616 /nfs/dbraw/zinc/46/16/16/890461616.db2.gz WNHIOCZBIVEHNR-VXNVDRBHSA-N 0 3 286.332 -1.299 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)c1ncn(C)n1 ZINC001420719161 890461743 /nfs/dbraw/zinc/46/17/43/890461743.db2.gz WBYRKFQTAVGGHR-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001420736862 890462113 /nfs/dbraw/zinc/46/21/13/890462113.db2.gz BZYQPRFAZQGMDD-SSDOTTSWSA-N 0 3 280.350 -2.543 20 0 CAADHN CNC(=O)NCCC(=O)N(C)CCN[C@H](C)C(=O)NC ZINC001420718320 890462181 /nfs/dbraw/zinc/46/21/81/890462181.db2.gz SETRRMDHYKMIBU-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN C[C@H](NCCN(C)C(=O)CS(C)(=O)=O)C(=O)N(C)C ZINC001420716395 890462319 /nfs/dbraw/zinc/46/23/19/890462319.db2.gz QPLCYBPBMUHNMI-VIFPVBQESA-N 0 3 293.389 -1.444 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)CCn1cnnn1)C1CC1)C(N)=O ZINC001420788216 890464216 /nfs/dbraw/zinc/46/42/16/890464216.db2.gz IEOTWILMCJYGBL-PSASIEDQSA-N 0 3 295.347 -1.579 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001420748185 890464463 /nfs/dbraw/zinc/46/44/63/890464463.db2.gz XIZSIHDZWCTMEL-QMMMGPOBSA-N 0 3 292.361 -2.528 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001420757588 890464765 /nfs/dbraw/zinc/46/47/65/890464765.db2.gz DIOMORGJUUWNTH-WDEREUQCSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001420757576 890465226 /nfs/dbraw/zinc/46/52/26/890465226.db2.gz DIOMORGJUUWNTH-GHMZBOCLSA-N 0 3 284.360 -1.129 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001420790760 890465316 /nfs/dbraw/zinc/46/53/16/890465316.db2.gz UZGKBIXXVILMNP-JTQLQIEISA-N 0 3 299.375 -1.383 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001420854129 890467983 /nfs/dbraw/zinc/46/79/83/890467983.db2.gz MXIFDHLAYHXQQN-JTQLQIEISA-N 0 3 295.347 -1.753 20 0 CAADHN CCN1CCN(CCN(C)C(=O)c2nnn(C)n2)CC1 ZINC001420907484 890471475 /nfs/dbraw/zinc/47/14/75/890471475.db2.gz NHOOAEJLPGDTOP-UHFFFAOYSA-N 0 3 281.364 -1.080 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001420958604 890475122 /nfs/dbraw/zinc/47/51/22/890475122.db2.gz YUCQQAQSSFZBGV-JTQLQIEISA-N 0 3 297.359 -1.677 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1)C(N)=O ZINC001420962956 890475273 /nfs/dbraw/zinc/47/52/73/890475273.db2.gz PCEHFJZFQGVDRD-VGMNWLOBSA-N 0 3 285.348 -1.502 20 0 CAADHN O=C(NC[C@H](O)Cn1ccnn1)[C@H]1CN2CCN1CCC2 ZINC001420964875 890475848 /nfs/dbraw/zinc/47/58/48/890475848.db2.gz OFZVSCJCIATBEA-NWDGAFQWSA-N 0 3 294.359 -1.855 20 0 CAADHN CC[C@H](NC1(CNC(=O)CCNC(=O)NC)CC1)C(N)=O ZINC001420938354 890476997 /nfs/dbraw/zinc/47/69/97/890476997.db2.gz AHRWJBPKTJIDDR-VIFPVBQESA-N 0 3 299.375 -1.192 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CCCc3n[nH]nc32)CC1 ZINC001420974167 890477248 /nfs/dbraw/zinc/47/72/48/890477248.db2.gz GHLKOWWVVKVNTM-MRVPVSSYSA-N 0 3 292.343 -1.052 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1CN[C@@H](C)C(N)=O ZINC001421105542 890484020 /nfs/dbraw/zinc/48/40/20/890484020.db2.gz DJHUDBURUPVIKO-WPRPVWTQSA-N 0 3 270.333 -1.423 20 0 CAADHN CCCN(C)CC(=O)NC1CN(Cc2nnnn2C)C1 ZINC001421082579 890484774 /nfs/dbraw/zinc/48/47/74/890484774.db2.gz AJNLAPWSPMYMBR-UHFFFAOYSA-N 0 3 281.364 -1.148 20 0 CAADHN C[C@H](O)CCCN1CC(CNC(=O)Cn2ncnn2)C1 ZINC001421125400 890487001 /nfs/dbraw/zinc/48/70/01/890487001.db2.gz IAQISRBUXCETSL-JTQLQIEISA-N 0 3 282.348 -1.118 20 0 CAADHN CCN1C[C@@H](C(=O)N2CCC[C@H]2CNCC(N)=O)CC1=O ZINC001421121835 890487066 /nfs/dbraw/zinc/48/70/66/890487066.db2.gz RMVWASTUFBWOLJ-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001421118459 890487176 /nfs/dbraw/zinc/48/71/76/890487176.db2.gz QJSVJTMLACWAFH-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@H](CNCC(N)=O)C1CCCC1 ZINC001421154730 890487249 /nfs/dbraw/zinc/48/72/49/890487249.db2.gz OEIPLFTWZYLMQH-WCBMZHEXSA-N 0 3 299.375 -1.207 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001421113887 890487293 /nfs/dbraw/zinc/48/72/93/890487293.db2.gz HQQIULBRVAHQMF-GHMZBOCLSA-N 0 3 285.344 -1.680 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001421112518 890487385 /nfs/dbraw/zinc/48/73/85/890487385.db2.gz OHCWFMOEODTMQM-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001421137946 890487452 /nfs/dbraw/zinc/48/74/52/890487452.db2.gz POGRBDJGNOXZJV-JTQLQIEISA-N 0 3 285.344 -1.726 20 0 CAADHN CC(=O)N1CCC[C@H]1CNCC(=O)N1CCNC(=O)C1 ZINC001421117779 890487481 /nfs/dbraw/zinc/48/74/81/890487481.db2.gz XUWKMXMLUNWSHY-NSHDSACASA-N 0 3 282.344 -1.455 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001421137221 890487598 /nfs/dbraw/zinc/48/75/98/890487598.db2.gz NCNJGBKGAILULA-SECBINFHSA-N 0 3 296.327 -1.622 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001421130086 890487611 /nfs/dbraw/zinc/48/76/11/890487611.db2.gz XEWUCEPCTYEVFC-QMMMGPOBSA-N 0 3 271.321 -1.889 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001421140744 890487842 /nfs/dbraw/zinc/48/78/42/890487842.db2.gz WDRDZJFDOOMWEM-NEPJUHHUSA-N 0 3 299.371 -1.480 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001421138067 890488918 /nfs/dbraw/zinc/48/89/18/890488918.db2.gz POGRBDJGNOXZJV-SNVBAGLBSA-N 0 3 285.344 -1.726 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001421137686 890489040 /nfs/dbraw/zinc/48/90/40/890489040.db2.gz QVUZTJDXHOIKEM-ZJUUUORDSA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001421130976 890489147 /nfs/dbraw/zinc/48/91/47/890489147.db2.gz MBZNHFAMUJOSEB-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H](CNCC(N)=O)C1CCCC1 ZINC001421154734 890489188 /nfs/dbraw/zinc/48/91/88/890489188.db2.gz OEIPLFTWZYLMQH-WPRPVWTQSA-N 0 3 299.375 -1.207 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001421111813 890489201 /nfs/dbraw/zinc/48/92/01/890489201.db2.gz PCPUJKNGROJCSM-VIFPVBQESA-N 0 3 299.331 -2.102 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001421228905 890490318 /nfs/dbraw/zinc/49/03/18/890490318.db2.gz QLWGBIPQJRCTLA-SDDRHHMPSA-N 0 3 299.371 -1.338 20 0 CAADHN COCCN1CC[C@@](C)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001421216922 890490733 /nfs/dbraw/zinc/49/07/33/890490733.db2.gz HNCCPOZOHAHROV-CQSZACIVSA-N 0 3 298.387 -1.355 20 0 CAADHN COC[C@H](O)CN1CC[C@@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001421218041 890491719 /nfs/dbraw/zinc/49/17/19/890491719.db2.gz HYPAEWMFJWDMAU-BXKDBHETSA-N 0 3 298.347 -1.588 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CCCC1 ZINC001421175935 890492316 /nfs/dbraw/zinc/49/23/16/890492316.db2.gz ZOOFWXCFNOOSLX-NXEZZACHSA-N 0 3 297.359 -1.582 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@@H]2CCN(CCO)C2)O1 ZINC001421268259 890494351 /nfs/dbraw/zinc/49/43/51/890494351.db2.gz OCDPRHQEZQESGW-UTUOFQBUSA-N 0 3 299.371 -1.018 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2ncccn2)CCOCC1 ZINC001421317624 890494472 /nfs/dbraw/zinc/49/44/72/890494472.db2.gz VHOLLZIKIAFJKV-UHFFFAOYSA-N 0 3 293.327 -1.170 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H]1CCN(C[C@H](C)O)C1 ZINC001421301327 890494795 /nfs/dbraw/zinc/49/47/95/890494795.db2.gz JSKBVKUJXOHICX-UWVGGRQHSA-N 0 3 272.349 -1.171 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001421331119 890495103 /nfs/dbraw/zinc/49/51/03/890495103.db2.gz ORFBCASGGOIUEA-MFKMUULPSA-N 0 3 287.360 -1.290 20 0 CAADHN CCC(=O)NCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001421337647 890495726 /nfs/dbraw/zinc/49/57/26/890495726.db2.gz HPJCYLLRLOWVTR-GFCCVEGCSA-N 0 3 273.333 -1.942 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2cnsn2)CCOCC1 ZINC001421307856 890495962 /nfs/dbraw/zinc/49/59/62/890495962.db2.gz SODKCFQYNGRTPG-UHFFFAOYSA-N 0 3 299.356 -1.108 20 0 CAADHN O=C(Cn1cnnn1)NCC1(NCCF)CCOCC1 ZINC001421299539 890496164 /nfs/dbraw/zinc/49/61/64/890496164.db2.gz ZQVQBQAFSNAHPO-UHFFFAOYSA-N 0 3 286.311 -1.102 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCNC1=O ZINC001421362241 890497715 /nfs/dbraw/zinc/49/77/15/890497715.db2.gz FFRGIAIUVLYGOX-DTWKUNHWSA-N 0 3 281.320 -1.954 20 0 CAADHN Nc1nccnc1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001421339061 890497818 /nfs/dbraw/zinc/49/78/18/890497818.db2.gz KSXYSLNSQATHNW-GFCCVEGCSA-N 0 3 281.316 -1.782 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@@H]1COC(=O)N1 ZINC001421353319 890498788 /nfs/dbraw/zinc/49/87/88/890498788.db2.gz GGPJPYPPUUWDBL-KWQFWETISA-N 0 3 273.289 -2.360 20 0 CAADHN O=C(CC1OCCCO1)NC[C@]1(O)CCN(CCO)C1 ZINC001421350773 890499702 /nfs/dbraw/zinc/49/97/02/890499702.db2.gz SSFVOFWTIJZUKU-CYBMUJFWSA-N 0 3 288.344 -1.315 20 0 CAADHN CC[C@H](C(=O)NC[C@@]1(O)CCN(CC(N)=O)C1)N(C)C ZINC001421361514 890500036 /nfs/dbraw/zinc/50/00/36/890500036.db2.gz ODBPHANADIYTKW-MFKMUULPSA-N 0 3 286.376 -1.635 20 0 CAADHN CC[C@H](CNC(=O)COC)N[C@@H](C)C(=O)NC(=O)NC ZINC001421363668 890500324 /nfs/dbraw/zinc/50/03/24/890500324.db2.gz LXFPKYPOXLEOAB-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCCC1=O)NCC(=O)NC ZINC001421371608 890502468 /nfs/dbraw/zinc/50/24/68/890502468.db2.gz ZYUVOXWVGLDSNC-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@@H]1CNC(=O)N1 ZINC001421376861 890502849 /nfs/dbraw/zinc/50/28/49/890502849.db2.gz MPMDLYDAGSSIRP-KWQFWETISA-N 0 3 272.305 -2.787 20 0 CAADHN Cn1ncc(CCC(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001421376079 890503120 /nfs/dbraw/zinc/50/31/20/890503120.db2.gz QSMCQLWPMAWUIK-CYBMUJFWSA-N 0 3 297.359 -1.707 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1ccc(=O)[nH]c1 ZINC001421390177 890503280 /nfs/dbraw/zinc/50/32/80/890503280.db2.gz HOIDUCIZVCJJMC-CYBMUJFWSA-N 0 3 281.312 -1.054 20 0 CAADHN O=C(CCc1cncnc1)NC[C@]1(O)CCN(CCO)C1 ZINC001421382154 890503310 /nfs/dbraw/zinc/50/33/10/890503310.db2.gz SHIVPQBYBLMSOF-CQSZACIVSA-N 0 3 294.355 -1.046 20 0 CAADHN C[C@@]1(C(=O)NC[C@]2(O)CCN(CCO)C2)CCC(=O)N1 ZINC001421372790 890503367 /nfs/dbraw/zinc/50/33/67/890503367.db2.gz CCRCQCKXCNWHGK-QWHCGFSZSA-N 0 3 285.344 -1.800 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCOCC1)NCC(N)=O ZINC001421394639 890503459 /nfs/dbraw/zinc/50/34/59/890503459.db2.gz XMCYBSJSJVQGOI-JTQLQIEISA-N 0 3 272.349 -1.712 20 0 CAADHN CC[C@H](CNC(=O)CN1CCCC1=O)NCC(=O)NC ZINC001421371611 890503510 /nfs/dbraw/zinc/50/35/10/890503510.db2.gz ZYUVOXWVGLDSNC-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN O=C(NC[C@@]1(O)CC[N@@H+](CCO)C1)c1cnc[n-]c1=O ZINC001421371428 890504355 /nfs/dbraw/zinc/50/43/55/890504355.db2.gz VGRJTFRZIHDROH-LBPRGKRZSA-N 0 3 282.300 -1.659 20 0 CAADHN O=C(NC[C@@]1(O)CC[N@H+](CCO)C1)c1cnc[n-]c1=O ZINC001421371428 890504365 /nfs/dbraw/zinc/50/43/65/890504365.db2.gz VGRJTFRZIHDROH-LBPRGKRZSA-N 0 3 282.300 -1.659 20 0 CAADHN O=C(COCC(F)F)NC[C@@]1(O)CCN(CCO)C1 ZINC001421386319 890504904 /nfs/dbraw/zinc/50/49/04/890504904.db2.gz XTJJWDCDBJJJSV-NSHDSACASA-N 0 3 282.287 -1.187 20 0 CAADHN Cn1nnc(C(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001421381723 890504945 /nfs/dbraw/zinc/50/49/45/890504945.db2.gz OLRRIYKZTWNKCQ-JTQLQIEISA-N 0 3 270.293 -2.631 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001421372888 890504991 /nfs/dbraw/zinc/50/49/91/890504991.db2.gz CFOCNNMZEIWPQH-KBPBESRZSA-N 0 3 299.371 -1.146 20 0 CAADHN Cn1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)[nH]c1=O ZINC001421373689 890505444 /nfs/dbraw/zinc/50/54/44/890505444.db2.gz FWRVWGMMAVBXIV-LBPRGKRZSA-N 0 3 284.316 -1.715 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)NCC(=O)N(C)C ZINC001421406931 890506831 /nfs/dbraw/zinc/50/68/31/890506831.db2.gz RKYKLMHJVBMEBW-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN CC[C@@H](CNC(=O)c1cc(=O)n(C)cn1)NCC(N)=O ZINC001421410310 890506970 /nfs/dbraw/zinc/50/69/70/890506970.db2.gz DSRIQYRFDKDGJK-QMMMGPOBSA-N 0 3 281.316 -1.636 20 0 CAADHN Cn1nc(C(=O)NC[C@]2(O)CCN(CCO)C2)ccc1=O ZINC001421396061 890508511 /nfs/dbraw/zinc/50/85/11/890508511.db2.gz RLVKATZBWXYGEF-CYBMUJFWSA-N 0 3 296.327 -2.061 20 0 CAADHN CC[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)NCC(N)=O ZINC001421416177 890509726 /nfs/dbraw/zinc/50/97/26/890509726.db2.gz DMKFZWNKONEJJT-ZANVPECISA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@H](CNC(=O)c1ccnc2n[nH]nc21)NCC(N)=O ZINC001421432335 890509861 /nfs/dbraw/zinc/50/98/61/890509861.db2.gz XYKHZVIPNDHCTG-ZETCQYMHSA-N 0 3 291.315 -1.064 20 0 CAADHN CC[C@H](CNC(=O)c1cnc2n[nH]nc2c1)NCC(N)=O ZINC001421421094 890510093 /nfs/dbraw/zinc/51/00/93/890510093.db2.gz JQNFNPVWSDCDSJ-MRVPVSSYSA-N 0 3 291.315 -1.064 20 0 CAADHN CC[C@H](CNC(=O)CCS(C)(=O)=O)NCC(=O)NC ZINC001421420468 890510588 /nfs/dbraw/zinc/51/05/88/890510588.db2.gz RLNQBWRIEZDVOT-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN CC[C@H](CNC(=O)c1ccnc2n[nH]nc21)NCC(N)=O ZINC001421432333 890511814 /nfs/dbraw/zinc/51/18/14/890511814.db2.gz XYKHZVIPNDHCTG-SSDOTTSWSA-N 0 3 291.315 -1.064 20 0 CAADHN CNC(=O)CNCC1(NC(=O)CNC(C)=O)CCCC1 ZINC001421487363 890514508 /nfs/dbraw/zinc/51/45/08/890514508.db2.gz ZTRUXHYNFFQYAD-UHFFFAOYSA-N 0 3 284.360 -1.113 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cncn1)N[C@@H]1CCN(C)C1=O ZINC001421479510 890514602 /nfs/dbraw/zinc/51/46/02/890514602.db2.gz UMLHPPDTCUWMFM-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001421552437 890516801 /nfs/dbraw/zinc/51/68/01/890516801.db2.gz GLVFIDGDYPLCKT-QPUJVOFHSA-N 0 3 284.316 -1.545 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@@H]2CNC(=O)N2)CCCC1 ZINC001421510406 890516892 /nfs/dbraw/zinc/51/68/92/890516892.db2.gz CPXSOUSIHGPFLE-QMMMGPOBSA-N 0 3 283.332 -1.828 20 0 CAADHN CN1C[C@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)NC1=O ZINC001421571859 890517123 /nfs/dbraw/zinc/51/71/23/890517123.db2.gz ZMOUNENOHLEDMD-NOZJJQNGSA-N 0 3 297.359 -1.630 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cn2ncnn2)CCCC1 ZINC001421509353 890517621 /nfs/dbraw/zinc/51/76/21/890517621.db2.gz MBCYXSJSRGULGD-UHFFFAOYSA-N 0 3 281.320 -1.823 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)NC1=O ZINC001421571872 890518030 /nfs/dbraw/zinc/51/80/30/890518030.db2.gz ZMOUNENOHLEDMD-ZANVPECISA-N 0 3 297.359 -1.630 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001421550523 890518076 /nfs/dbraw/zinc/51/80/76/890518076.db2.gz BACBIUKGLBBJEN-OTYXRUKQSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@@H](O)CN1CCC[C@](CO)(NC(=O)c2nnc[nH]2)C1 ZINC001421611868 890519720 /nfs/dbraw/zinc/51/97/20/890519720.db2.gz ISHPIWFWDJMPJE-SKDRFNHKSA-N 0 3 283.332 -1.258 20 0 CAADHN Cc1c[nH]nc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001421635304 890519861 /nfs/dbraw/zinc/51/98/61/890519861.db2.gz LUTCGUIEPKQJCT-SECBINFHSA-N 0 3 283.332 -1.384 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ccnnc1)C(N)=O ZINC001421638763 890520166 /nfs/dbraw/zinc/52/01/66/890520166.db2.gz YKAUXOPLVISNHA-SECBINFHSA-N 0 3 281.316 -1.626 20 0 CAADHN O=C(c1ncccn1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001421638270 890519962 /nfs/dbraw/zinc/51/99/62/890519962.db2.gz XREAYYDQEUUYBO-SNVBAGLBSA-N 0 3 293.327 -1.611 20 0 CAADHN O=C(N[C@@]1(CO)CCCN(CCCO)C1)[C@@H]1CCC(=O)N1 ZINC001421624231 890519990 /nfs/dbraw/zinc/51/99/90/890519990.db2.gz UGKRQXDPIRRKIW-FZMZJTMJSA-N 0 3 299.371 -1.410 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C[C@H]1CCOC1)C(N)=O ZINC001421639615 890520128 /nfs/dbraw/zinc/52/01/28/890520128.db2.gz XJYUOIOUVLGGOG-GHMZBOCLSA-N 0 3 287.360 -1.303 20 0 CAADHN CCN1CCC[C@@](CO)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001421625282 890520223 /nfs/dbraw/zinc/52/02/23/890520223.db2.gz OKANHCNUQAHNFE-MISXGVKJSA-N 0 3 299.371 -1.018 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1nc[nH]n1)C(N)=O ZINC001421634673 890520283 /nfs/dbraw/zinc/52/02/83/890520283.db2.gz LYEKPYODZVXCLG-ZETCQYMHSA-N 0 3 270.293 -2.297 20 0 CAADHN COCC(=O)N(CCO)CCN[C@@H]1CCCN(C)C1=O ZINC001421636159 890520389 /nfs/dbraw/zinc/52/03/89/890520389.db2.gz CMSICLRQGKHWKR-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN O=C(c1cccnn1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001421637722 890520812 /nfs/dbraw/zinc/52/08/12/890520812.db2.gz UJEIDSNMQKOELX-SNVBAGLBSA-N 0 3 293.327 -1.611 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1ccnnc1 ZINC001421635105 890520845 /nfs/dbraw/zinc/52/08/45/890520845.db2.gz NAVRSNWGTONLKW-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ccn(C)c1)C(N)=O ZINC001421632761 890521095 /nfs/dbraw/zinc/52/10/95/890521095.db2.gz BOABBIWJQOLUIY-JTQLQIEISA-N 0 3 282.344 -1.077 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@]12C[C@H]1COC2)C(N)=O ZINC001421633271 890521179 /nfs/dbraw/zinc/52/11/79/890521179.db2.gz FQLDEZZSHAIRFO-NRUUGDAUSA-N 0 3 285.344 -1.693 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)Cn1cncn1)C1CC1 ZINC001421579062 890521257 /nfs/dbraw/zinc/52/12/57/890521257.db2.gz AAEUYRQJYYCXRE-CYBMUJFWSA-N 0 3 294.359 -1.101 20 0 CAADHN CC[C@H]([NH2+]CCN(CCO)C(=O)c1nc[n-]n1)C(N)=O ZINC001421632698 890521459 /nfs/dbraw/zinc/52/14/59/890521459.db2.gz DUODJCZKVKTCNB-QMMMGPOBSA-N 0 3 284.320 -1.907 20 0 CAADHN CCN1CCC[C@](CO)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001421626934 890521708 /nfs/dbraw/zinc/52/17/08/890521708.db2.gz RNVXKYKBQGCTQZ-ZANVPECISA-N 0 3 298.343 -1.453 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(N)=O ZINC001421634174 890521727 /nfs/dbraw/zinc/52/17/27/890521727.db2.gz KNPHXYGHZPXBQL-QCNOEVLYSA-N 0 3 299.371 -1.162 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cnco1 ZINC001421633435 890521785 /nfs/dbraw/zinc/52/17/85/890521785.db2.gz BQKOKVWAMCTARU-VIFPVBQESA-N 0 3 284.316 -1.167 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cnn(C)n1 ZINC001421635951 890522271 /nfs/dbraw/zinc/52/22/71/890522271.db2.gz PDWBGFSIHXQGSE-SECBINFHSA-N 0 3 298.347 -2.026 20 0 CAADHN Cc1nc(C)c(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)[nH]1 ZINC001421632625 890522446 /nfs/dbraw/zinc/52/24/46/890522446.db2.gz DTPVIFPRTDJMGT-VIFPVBQESA-N 0 3 297.359 -1.076 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001421633261 890522777 /nfs/dbraw/zinc/52/27/77/890522777.db2.gz FKOHCVJNQJAKMB-DTWKUNHWSA-N 0 3 286.332 -2.451 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1ccnnc1 ZINC001421635101 890522865 /nfs/dbraw/zinc/52/28/65/890522865.db2.gz NAVRSNWGTONLKW-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN Cc1c[nH]nc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001421638185 890523007 /nfs/dbraw/zinc/52/30/07/890523007.db2.gz SXGYTRPISANXRS-SNVBAGLBSA-N 0 3 295.343 -1.369 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)c2cc[nH]n2)C1=O ZINC001421646155 890524771 /nfs/dbraw/zinc/52/47/71/890524771.db2.gz WHOQYSIMMYZYQX-SNVBAGLBSA-N 0 3 295.343 -1.336 20 0 CAADHN CCO[C@H](C)C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001421642510 890525116 /nfs/dbraw/zinc/52/51/16/890525116.db2.gz OCDDILHCWOLGSM-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@@H]1CCOC1 ZINC001421646095 890525171 /nfs/dbraw/zinc/52/51/71/890525171.db2.gz VVWXKFNNUMTPEJ-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)[C@H]2CCOC2)C1=O ZINC001421640553 890525272 /nfs/dbraw/zinc/52/52/72/890525272.db2.gz KHAALDIPXMJMBI-RYUDHWBXSA-N 0 3 299.371 -1.336 20 0 CAADHN O=C(C(F)F)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001421644256 890525392 /nfs/dbraw/zinc/52/53/92/890525392.db2.gz RZPHJCFQBPUYQJ-MRVPVSSYSA-N 0 3 279.287 -1.059 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C[C@@H]1CCOC1)C(N)=O ZINC001421639620 890525830 /nfs/dbraw/zinc/52/58/30/890525830.db2.gz XJYUOIOUVLGGOG-QWRGUYRKSA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CNC(C)=O)CCC1 ZINC001421725504 890527712 /nfs/dbraw/zinc/52/77/12/890527712.db2.gz UQVLCHWHIWRTMJ-UHFFFAOYSA-N 0 3 270.333 -1.503 20 0 CAADHN C[C@H](O)CN1CCN(CCC(=O)NC(N)=O)[C@H](C)C1 ZINC001421727780 890528182 /nfs/dbraw/zinc/52/81/82/890528182.db2.gz PCFKINVZEIVIRD-ZJUUUORDSA-N 0 3 272.349 -1.042 20 0 CAADHN C[C@@H](O)CN1CCN(CCC(=O)NC(N)=O)[C@@H](C)C1 ZINC001421727779 890528548 /nfs/dbraw/zinc/52/85/48/890528548.db2.gz PCFKINVZEIVIRD-VHSXEESVSA-N 0 3 272.349 -1.042 20 0 CAADHN CCC(=O)N1CCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001421782464 890531633 /nfs/dbraw/zinc/53/16/33/890531633.db2.gz BZFTUQXATASKCV-QMMMGPOBSA-N 0 3 272.305 -1.592 20 0 CAADHN NC(=O)CNC1(CNC(=O)C[C@H]2CCC(=O)N2)CCC1 ZINC001421771148 890531536 /nfs/dbraw/zinc/53/15/36/890531536.db2.gz BBXMUXUPTUKQBV-SECBINFHSA-N 0 3 282.344 -1.231 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cnn(C)c2)CCO1 ZINC001421784432 890531801 /nfs/dbraw/zinc/53/18/01/890531801.db2.gz IRSBJUYYJRJNQC-NSHDSACASA-N 0 3 295.343 -1.403 20 0 CAADHN Cn1ncc(C(=O)NCC2(NCC(N)=O)CCC2)c1N ZINC001421740237 890531901 /nfs/dbraw/zinc/53/19/01/890531901.db2.gz ZMKBBWAZFUNLCJ-UHFFFAOYSA-N 0 3 280.332 -1.270 20 0 CAADHN NC(=O)C1(O)CCN(C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001421764672 890531913 /nfs/dbraw/zinc/53/19/13/890531913.db2.gz DZRPPANVXYCKCR-SNVBAGLBSA-N 0 3 288.344 -1.799 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CCC(=O)NC2)CCC1 ZINC001421751557 890532033 /nfs/dbraw/zinc/53/20/33/890532033.db2.gz YMEMOWUAPJDTFM-JTQLQIEISA-N 0 3 296.371 -1.113 20 0 CAADHN Cc1nc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)co1 ZINC001421786492 890532085 /nfs/dbraw/zinc/53/20/85/890532085.db2.gz BAQDNBJAGHPHRZ-VIFPVBQESA-N 0 3 282.300 -1.101 20 0 CAADHN C[C@@H](C(=O)N1CCO[C@H](CNCC(N)=O)C1)n1cncn1 ZINC001421788548 890532658 /nfs/dbraw/zinc/53/26/58/890532658.db2.gz DWEDIUZMZDTICK-VHSXEESVSA-N 0 3 296.331 -1.859 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCC1(NCCF)CCC1 ZINC001421755559 890532800 /nfs/dbraw/zinc/53/28/00/890532800.db2.gz HOFGDYPFKBSZLB-UHFFFAOYSA-N 0 3 296.368 -1.362 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CNC(=O)OC)CCC1 ZINC001421744371 890532970 /nfs/dbraw/zinc/53/29/70/890532970.db2.gz WMUVAPZAGKUVRP-UHFFFAOYSA-N 0 3 286.332 -1.283 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)Cn2ccnc2)CCO1)C(N)=O ZINC001421825113 890534062 /nfs/dbraw/zinc/53/40/62/890534062.db2.gz JRPMDCKZNMDRRO-MNOVXSKESA-N 0 3 295.343 -1.426 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001421810276 890534215 /nfs/dbraw/zinc/53/42/15/890534215.db2.gz QINCFCXDWZNQNR-OPRDCNLKSA-N 0 3 298.343 -1.346 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1)C(N)=O ZINC001421796410 890534610 /nfs/dbraw/zinc/53/46/10/890534610.db2.gz GHAVYZXHFBAHFX-RKDXNWHRSA-N 0 3 281.316 -1.286 20 0 CAADHN CNC(=O)CNC1(CNC(=O)Cn2ncnn2)CCCC1 ZINC001421834326 890534674 /nfs/dbraw/zinc/53/46/74/890534674.db2.gz OEZRPIALQLKNGV-UHFFFAOYSA-N 0 3 295.347 -1.562 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2nccnc2N)CCO1 ZINC001421804247 890534782 /nfs/dbraw/zinc/53/47/82/890534782.db2.gz PCWUXLZMGNQOOK-MRVPVSSYSA-N 0 3 294.315 -2.025 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1)C(N)=O ZINC001421819166 890535089 /nfs/dbraw/zinc/53/50/89/890535089.db2.gz JXHOUENXGSTBTK-YUMQZZPRSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@H]([NH2+]C[C@H]1CN(C(=O)c2nc[n-]n2)CCO1)C(N)=O ZINC001421819166 890535097 /nfs/dbraw/zinc/53/50/97/890535097.db2.gz JXHOUENXGSTBTK-YUMQZZPRSA-N 0 3 282.304 -1.891 20 0 CAADHN Cn1nncc1C(=O)NCC1(NCC(N)=O)CCCC1 ZINC001421820060 890535217 /nfs/dbraw/zinc/53/52/17/890535217.db2.gz KGYAHVYEOMWEOF-UHFFFAOYSA-N 0 3 280.332 -1.067 20 0 CAADHN CCO[C@H](C)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001421809614 890535390 /nfs/dbraw/zinc/53/53/90/890535390.db2.gz XEQKOURLRWYBFB-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1)C(N)=O ZINC001421825753 890536154 /nfs/dbraw/zinc/53/61/54/890536154.db2.gz RMOJHFWJTZHIGF-ONGXEEELSA-N 0 3 295.343 -1.357 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1)C(N)=O ZINC001421825748 890536383 /nfs/dbraw/zinc/53/63/83/890536383.db2.gz RMOJHFWJTZHIGF-MWLCHTKSSA-N 0 3 295.343 -1.357 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001421804525 890536677 /nfs/dbraw/zinc/53/66/77/890536677.db2.gz OWHPLYWCWUUAJL-JTQLQIEISA-N 0 3 279.300 -1.608 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2CCOC2)CCO1 ZINC001421798021 890536717 /nfs/dbraw/zinc/53/67/17/890536717.db2.gz YVQSOGWXLSBKSS-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1)C(N)=O ZINC001421825737 890536966 /nfs/dbraw/zinc/53/69/66/890536966.db2.gz RMOJHFWJTZHIGF-GXSJLCMTSA-N 0 3 295.343 -1.357 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C2CCC(O)CC2)CCO1 ZINC001421792221 890537009 /nfs/dbraw/zinc/53/70/09/890537009.db2.gz LCWUVECXZUPJFQ-HTAVTVPLSA-N 0 3 299.371 -1.160 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)Cn1cnnn1 ZINC001421869134 890538020 /nfs/dbraw/zinc/53/80/20/890538020.db2.gz HVEHSHQJZVUVKB-ZJUUUORDSA-N 0 3 295.347 -1.660 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)CNC(C)=O ZINC001421881571 890538275 /nfs/dbraw/zinc/53/82/75/890538275.db2.gz OVNFBXFOLJFLQW-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCn1ccnn1 ZINC001421899147 890538480 /nfs/dbraw/zinc/53/84/80/890538480.db2.gz VOXJPXCKLGNOPY-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)Cn1ncnn1 ZINC001421909663 890538548 /nfs/dbraw/zinc/53/85/48/890538548.db2.gz XLDQTCIIJCVHTN-VIFPVBQESA-N 0 3 283.336 -1.802 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cn[nH]c1 ZINC001421872937 890538899 /nfs/dbraw/zinc/53/88/99/890538899.db2.gz AOKTUAZODAZAQI-SSDOTTSWSA-N 0 3 282.304 -1.345 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ncn(C)n1 ZINC001421873583 890539215 /nfs/dbraw/zinc/53/92/15/890539215.db2.gz CWJHZHFOADQNJR-ZETCQYMHSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CNC(=O)N1CCCC1 ZINC001421896649 890539287 /nfs/dbraw/zinc/53/92/87/890539287.db2.gz LLGAVWOIESREMZ-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001421886860 890539573 /nfs/dbraw/zinc/53/95/73/890539573.db2.gz HOOFCVMKXNYBNM-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cocn1 ZINC001421882743 890539998 /nfs/dbraw/zinc/53/99/98/890539998.db2.gz NWTWWYLWWLARGD-ZETCQYMHSA-N 0 3 283.288 -1.080 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)Cn1cnnn1 ZINC001421869131 890539768 /nfs/dbraw/zinc/53/97/68/890539768.db2.gz HVEHSHQJZVUVKB-UWVGGRQHSA-N 0 3 295.347 -1.660 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001421885183 890539940 /nfs/dbraw/zinc/53/99/40/890539940.db2.gz JBRRVSFMCHACTP-WPRPVWTQSA-N 0 3 298.343 -1.190 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)c1ncc[nH]1 ZINC001421876477 890540334 /nfs/dbraw/zinc/54/03/34/890540334.db2.gz MUYLGQNKLLOWGR-QMMMGPOBSA-N 0 3 296.331 -1.085 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)c1cn(C)nn1 ZINC001421878105 890540368 /nfs/dbraw/zinc/54/03/68/890540368.db2.gz QPOWBHDFHQPRNI-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN COC(=O)NCC(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001421889660 890540603 /nfs/dbraw/zinc/54/06/03/890540603.db2.gz ZRGMLSBVRAHXMB-SECBINFHSA-N 0 3 288.348 -1.133 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCn1ccnn1 ZINC001421899156 890540714 /nfs/dbraw/zinc/54/07/14/890540714.db2.gz VOXJPXCKLGNOPY-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001421952996 890543007 /nfs/dbraw/zinc/54/30/07/890543007.db2.gz FGMTURZNXAGLRD-BQBZGAKWSA-N 0 3 285.304 -2.494 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)c1nnn(C)n1 ZINC001421948955 890543157 /nfs/dbraw/zinc/54/31/57/890543157.db2.gz VZIYPZLPKAOXNA-QMMMGPOBSA-N 0 3 283.336 -1.652 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCCn1cncn1 ZINC001421976443 890543925 /nfs/dbraw/zinc/54/39/25/890543925.db2.gz XIWSYDGNCSTPIT-SNVBAGLBSA-N 0 3 282.348 -1.020 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)c1nnn(C)n1 ZINC001421938413 890543957 /nfs/dbraw/zinc/54/39/57/890543957.db2.gz KAMARIRZZSEERD-RKDXNWHRSA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001421923714 890544215 /nfs/dbraw/zinc/54/42/15/890544215.db2.gz LYLCOYQZQIOLRU-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN CC[C@H](C(=O)N[C@H]1COC2(CN(CC(N)=O)C2)C1)N(C)C ZINC001421950801 890544563 /nfs/dbraw/zinc/54/45/63/890544563.db2.gz WFTQQJPLRXEPIY-GHMZBOCLSA-N 0 3 298.387 -1.229 20 0 CAADHN CCOCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC(N)=O)C1 ZINC001422033021 890546072 /nfs/dbraw/zinc/54/60/72/890546072.db2.gz PQXFTEBGWFMESI-BDAKNGLRSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)N(C)C(=O)Cn1cncn1 ZINC001421994440 890545922 /nfs/dbraw/zinc/54/59/22/890545922.db2.gz QXPDQGMTLMPXHE-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)CCNC(N)=O ZINC001421997846 890546158 /nfs/dbraw/zinc/54/61/58/890546158.db2.gz USERRUATEQVTSA-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001422001683 890546704 /nfs/dbraw/zinc/54/67/04/890546704.db2.gz JAKIWWOROZSEPX-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2ncc[nH]2)CCOCC1 ZINC001422005167 890546940 /nfs/dbraw/zinc/54/69/40/890546940.db2.gz UOFFTKSYAJXQMU-UHFFFAOYSA-N 0 3 281.316 -1.236 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)Cn1cncn1 ZINC001422000710 890547612 /nfs/dbraw/zinc/54/76/12/890547612.db2.gz YFNAXWVXLKQNLF-WDEREUQCSA-N 0 3 294.359 -1.055 20 0 CAADHN CCOCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001422033023 890548261 /nfs/dbraw/zinc/54/82/61/890548261.db2.gz PQXFTEBGWFMESI-DTWKUNHWSA-N 0 3 286.332 -1.346 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](NCC(N)=O)C(C)C ZINC001422069412 890549515 /nfs/dbraw/zinc/54/95/15/890549515.db2.gz GLDUZHBQPBOMDO-SCZZXKLOSA-N 0 3 272.349 -1.273 20 0 CAADHN CN(CCCO)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC001422159368 890555543 /nfs/dbraw/zinc/55/55/43/890555543.db2.gz ARQTVLQPVNSEEQ-UHFFFAOYSA-N 0 3 295.405 -1.350 20 0 CAADHN C[C@@]1(C(=O)N2CCC(O)(CNCC(N)=O)CC2)CCOC1 ZINC001422102954 890550271 /nfs/dbraw/zinc/55/02/71/890550271.db2.gz OJYHXGXMTGHHDK-CYBMUJFWSA-N 0 3 299.371 -1.159 20 0 CAADHN CC(C)[C@H](CNC(=O)CCc1cn(C)nn1)NCC(N)=O ZINC001422138493 890550794 /nfs/dbraw/zinc/55/07/94/890550794.db2.gz GYEXIGYKQARYIJ-NSHDSACASA-N 0 3 296.375 -1.037 20 0 CAADHN Cn1nnnc1CCN1CCC(C(=O)NCCO)CC1 ZINC001422104492 890550852 /nfs/dbraw/zinc/55/08/52/890550852.db2.gz KVMLXSUJWDJNNZ-UHFFFAOYSA-N 0 3 282.348 -1.427 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](NCC(N)=O)C(C)C ZINC001422069418 890551061 /nfs/dbraw/zinc/55/10/61/890551061.db2.gz GLDUZHBQPBOMDO-WPRPVWTQSA-N 0 3 272.349 -1.273 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1CCCC(=O)N1)NCC(N)=O ZINC001422110818 890551208 /nfs/dbraw/zinc/55/12/08/890551208.db2.gz RNTAEIRUXCUKEC-ZJUUUORDSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](NCC(N)=O)C(C)C ZINC001422083580 890551402 /nfs/dbraw/zinc/55/14/02/890551402.db2.gz RPSYDFGYBMJWRR-SECBINFHSA-N 0 3 287.364 -1.479 20 0 CAADHN NC(=O)CN1CCC(CO)(NC(=O)Cc2cnc[nH]2)CC1 ZINC001422187200 890554804 /nfs/dbraw/zinc/55/48/04/890554804.db2.gz ASACMVOFYYMWLS-UHFFFAOYSA-N 0 3 295.343 -1.619 20 0 CAADHN CC(=O)NCC(=O)NC1(CO)CCN(C[C@H](C)O)CC1 ZINC001422199734 890555579 /nfs/dbraw/zinc/55/55/79/890555579.db2.gz WWADGPVCCPWJKW-JTQLQIEISA-N 0 3 287.360 -1.554 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC)cn1 ZINC001422262424 890557366 /nfs/dbraw/zinc/55/73/66/890557366.db2.gz FNSCJRUCXRAOQQ-GXSJLCMTSA-N 0 3 297.359 -1.282 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001422203043 890557608 /nfs/dbraw/zinc/55/76/08/890557608.db2.gz ZYXIKKCDAYODII-MXWKQRLJSA-N 0 3 287.360 -1.495 20 0 CAADHN O=C(Cn1cccn1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001422263363 890558009 /nfs/dbraw/zinc/55/80/09/890558009.db2.gz GTWJLFBYUIQFGU-LLVKDONJSA-N 0 3 295.343 -1.818 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@H](C)C(=O)NC)cn1 ZINC001422262433 890558134 /nfs/dbraw/zinc/55/81/34/890558134.db2.gz FNSCJRUCXRAOQQ-MWLCHTKSSA-N 0 3 297.359 -1.282 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CC1CCOCC1)C(N)=O ZINC001422264214 890558291 /nfs/dbraw/zinc/55/82/91/890558291.db2.gz JYWUSGLAVAPYHM-ONGXEEELSA-N 0 3 287.360 -1.256 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(CC)c1 ZINC001422261194 890558425 /nfs/dbraw/zinc/55/84/25/890558425.db2.gz ANHVPOQYWSNVIP-LLVKDONJSA-N 0 3 297.359 -1.281 20 0 CAADHN Cc1nn(CC(=O)N(C)CCN(C)C[C@@H](C)O)c(=O)n1C ZINC001422221692 890559414 /nfs/dbraw/zinc/55/94/14/890559414.db2.gz ATJHSCLZNHOKEY-SNVBAGLBSA-N 0 3 299.375 -1.339 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)Cc2ccon2)n[nH]1 ZINC001422267085 890560742 /nfs/dbraw/zinc/56/07/42/890560742.db2.gz QRQIWRNGRRAINN-SNVBAGLBSA-N 0 3 294.315 -1.089 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)Cc1ccon1 ZINC001422268686 890560984 /nfs/dbraw/zinc/56/09/84/890560984.db2.gz UJYAQPBSVHPNOK-NSHDSACASA-N 0 3 298.343 -1.192 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001422268080 890561612 /nfs/dbraw/zinc/56/16/12/890561612.db2.gz BBFLYKRUNNGZAV-SFYZADRCSA-N 0 3 270.289 -1.463 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CC ZINC001422267514 890561865 /nfs/dbraw/zinc/56/18/65/890561865.db2.gz JPTQLNNCTXDOPA-RKDXNWHRSA-N 0 3 288.348 -1.303 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001422269272 890562007 /nfs/dbraw/zinc/56/20/07/890562007.db2.gz AATOZPQEXHEMSV-NEPJUHHUSA-N 0 3 298.343 -1.598 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001422268084 890562637 /nfs/dbraw/zinc/56/26/37/890562637.db2.gz BBFLYKRUNNGZAV-YUMQZZPRSA-N 0 3 270.289 -1.463 20 0 CAADHN O=C(Cc1cc[nH]n1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001422271633 890562754 /nfs/dbraw/zinc/56/27/54/890562754.db2.gz IHFQBLGWGNRRCQ-NSHDSACASA-N 0 3 295.343 -1.749 20 0 CAADHN COC[C@H](C)C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001422265483 890562954 /nfs/dbraw/zinc/56/29/54/890562954.db2.gz MPDQCPLTQFXPOM-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)NC[C@@H]1CCCO1 ZINC001422272611 890563178 /nfs/dbraw/zinc/56/31/78/890563178.db2.gz ODRPCQWUAWUZPI-QWRGUYRKSA-N 0 3 273.333 -1.632 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001422269290 890563271 /nfs/dbraw/zinc/56/32/71/890563271.db2.gz AATOZPQEXHEMSV-NWDGAFQWSA-N 0 3 298.343 -1.598 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)NC[C@H]1CCCO1 ZINC001422272612 890563423 /nfs/dbraw/zinc/56/34/23/890563423.db2.gz ODRPCQWUAWUZPI-WDEREUQCSA-N 0 3 273.333 -1.632 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1ccon1)C(=O)N(C)C ZINC001422268718 890563516 /nfs/dbraw/zinc/56/35/16/890563516.db2.gz UMQOGSFNYCBMAW-GXSJLCMTSA-N 0 3 298.343 -1.240 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ocnc1C ZINC001422269047 890563653 /nfs/dbraw/zinc/56/36/53/890563653.db2.gz CEODKMIWYWRBHY-VIFPVBQESA-N 0 3 284.316 -1.201 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)[nH]n1 ZINC001422278791 890564523 /nfs/dbraw/zinc/56/45/23/890564523.db2.gz LXLVVFCNFARAKF-SNVBAGLBSA-N 0 3 297.359 -1.259 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CCn1cccn1 ZINC001422282336 890564606 /nfs/dbraw/zinc/56/46/06/890564606.db2.gz OLGAXJKMIPZAPC-MNOVXSKESA-N 0 3 297.359 -1.526 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccn(C)c1)C(N)=O ZINC001422277458 890564688 /nfs/dbraw/zinc/56/46/88/890564688.db2.gz HPNMJFOMJZKCIZ-MNOVXSKESA-N 0 3 282.344 -1.031 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)C1CC(F)(F)C1 ZINC001422279073 890564871 /nfs/dbraw/zinc/56/48/71/890564871.db2.gz BZMVMWYVMHCOII-IUCAKERBSA-N 0 3 291.298 -1.013 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001422285918 890565038 /nfs/dbraw/zinc/56/50/38/890565038.db2.gz VWNYQRJHGMUBLW-YUMQZZPRSA-N 0 3 297.315 -2.003 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCCO1 ZINC001422284050 890565133 /nfs/dbraw/zinc/56/51/33/890565133.db2.gz PXTOASMHIVCQQA-VHSXEESVSA-N 0 3 273.333 -1.632 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cn[nH]c1)NCC1CC1 ZINC001422280466 890565153 /nfs/dbraw/zinc/56/51/53/890565153.db2.gz BQFLBCGRRGJVNR-LLVKDONJSA-N 0 3 295.343 -1.384 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001422280087 890565279 /nfs/dbraw/zinc/56/52/79/890565279.db2.gz WYQDJNZXNABDCR-NXEZZACHSA-N 0 3 296.327 -1.058 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccccn1)N1CCC1 ZINC001422286278 890565369 /nfs/dbraw/zinc/56/53/69/890565369.db2.gz SGDNTPURWUJCJK-LLVKDONJSA-N 0 3 292.339 -1.006 20 0 CAADHN COCC(=O)NC[C@H](O)CNCC(=O)N1CCOCC1 ZINC001422283267 890565453 /nfs/dbraw/zinc/56/54/53/890565453.db2.gz YHIZVTRZCZGLEX-SNVBAGLBSA-N 0 3 289.332 -2.442 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)n1cccc1 ZINC001422282617 890565477 /nfs/dbraw/zinc/56/54/77/890565477.db2.gz OKPAEMQNNDAVBN-WDEREUQCSA-N 0 3 282.344 -1.138 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCCO1 ZINC001422284045 890565613 /nfs/dbraw/zinc/56/56/13/890565613.db2.gz PXTOASMHIVCQQA-NXEZZACHSA-N 0 3 273.333 -1.632 20 0 CAADHN COCC(=O)NC[C@H](O)CNCC(=O)NC1CCCC1 ZINC001422284487 890565657 /nfs/dbraw/zinc/56/56/57/890565657.db2.gz YOSIZHCPJYCSML-LLVKDONJSA-N 0 3 287.360 -1.242 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCc1ccns1 ZINC001422281978 890565822 /nfs/dbraw/zinc/56/58/22/890565822.db2.gz LKYKTCXUGANYJK-VIFPVBQESA-N 0 3 286.357 -1.154 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cc(C)on1)C(N)=O ZINC001422281314 890565895 /nfs/dbraw/zinc/56/58/95/890565895.db2.gz RDGUVZGLTVZUSH-IUCAKERBSA-N 0 3 284.316 -1.073 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001422285915 890565995 /nfs/dbraw/zinc/56/59/95/890565995.db2.gz VWNYQRJHGMUBLW-SFYZADRCSA-N 0 3 297.315 -2.003 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001422277341 890566183 /nfs/dbraw/zinc/56/61/83/890566183.db2.gz AAJPRFCJFLTVKE-WCBMZHEXSA-N 0 3 296.327 -1.398 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001422280091 890566202 /nfs/dbraw/zinc/56/62/02/890566202.db2.gz WYQDJNZXNABDCR-VHSXEESVSA-N 0 3 296.327 -1.058 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccn[nH]1)C(=O)NC1CC1 ZINC001422282392 890566398 /nfs/dbraw/zinc/56/63/98/890566398.db2.gz DGFRIESSELGWPF-SCZZXKLOSA-N 0 3 295.343 -1.243 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cccnc1 ZINC001422277746 890566417 /nfs/dbraw/zinc/56/64/17/890566417.db2.gz GAGOHRCAGUKTPW-NSHDSACASA-N 0 3 280.328 -1.102 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)o1 ZINC001422281406 890566488 /nfs/dbraw/zinc/56/64/88/890566488.db2.gz YVPWQSCJOHOMKF-UWVGGRQHSA-N 0 3 296.327 -1.140 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)o1 ZINC001422281421 890566516 /nfs/dbraw/zinc/56/65/16/890566516.db2.gz YVPWQSCJOHOMKF-ZJUUUORDSA-N 0 3 296.327 -1.140 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001422277344 890566878 /nfs/dbraw/zinc/56/68/78/890566878.db2.gz AAJPRFCJFLTVKE-WPRPVWTQSA-N 0 3 296.327 -1.398 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)C1CC(F)(F)C1 ZINC001422279071 890566978 /nfs/dbraw/zinc/56/69/78/890566978.db2.gz BZMVMWYVMHCOII-DTWKUNHWSA-N 0 3 291.298 -1.013 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)C1CC(F)(F)C1 ZINC001422279075 890567079 /nfs/dbraw/zinc/56/70/79/890567079.db2.gz BZMVMWYVMHCOII-RKDXNWHRSA-N 0 3 291.298 -1.013 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001422278284 890567133 /nfs/dbraw/zinc/56/71/33/890567133.db2.gz LIBLZHXFEVUQSQ-NXEZZACHSA-N 0 3 286.332 -2.580 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001422299089 890568180 /nfs/dbraw/zinc/56/81/80/890568180.db2.gz AHCJWNFUTZKVFK-NKWVEPMBSA-N 0 3 270.293 -2.631 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](O)CNCC(=O)N1CCCC1 ZINC001422295486 890568206 /nfs/dbraw/zinc/56/82/06/890568206.db2.gz XWJMJROASJAILJ-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1cnsn1 ZINC001422296806 890568225 /nfs/dbraw/zinc/56/82/25/890568225.db2.gz WSZGTGAXWHNDIR-SFYZADRCSA-N 0 3 299.356 -1.503 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2cnns2)C1=O ZINC001422290085 890568244 /nfs/dbraw/zinc/56/82/44/890568244.db2.gz LVHMTPFXLSPOIV-JGVFFNPUSA-N 0 3 299.356 -1.551 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ncccc1C ZINC001422288250 890568338 /nfs/dbraw/zinc/56/83/38/890568338.db2.gz PDVLBFPHWCMKBU-JTQLQIEISA-N 0 3 280.328 -1.184 20 0 CAADHN CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N1CCNC(=O)C1 ZINC001422292545 890568352 /nfs/dbraw/zinc/56/83/52/890568352.db2.gz SCKBSFZVBMYRHA-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CC1(OC)CCC1 ZINC001422294179 890568485 /nfs/dbraw/zinc/56/84/85/890568485.db2.gz HFJUPIFCVDVLNE-SNVBAGLBSA-N 0 3 287.360 -1.242 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)on1 ZINC001422299952 890568679 /nfs/dbraw/zinc/56/86/79/890568679.db2.gz QOSBCZLAFOGRPH-RNFRBKRXSA-N 0 3 286.288 -1.763 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)on1 ZINC001422294242 890568999 /nfs/dbraw/zinc/56/89/99/890568999.db2.gz FCRANBZLEITDIR-JGVFFNPUSA-N 0 3 298.299 -1.748 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2cnns2)C1=O ZINC001422290095 890569160 /nfs/dbraw/zinc/56/91/60/890569160.db2.gz LVHMTPFXLSPOIV-YUMQZZPRSA-N 0 3 299.356 -1.551 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2cnnn2C)C1=O ZINC001422291740 890569521 /nfs/dbraw/zinc/56/95/21/890569521.db2.gz DPNBDRZLRXXZCW-IUCAKERBSA-N 0 3 296.331 -2.274 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)no1 ZINC001422288603 890569637 /nfs/dbraw/zinc/56/96/37/890569637.db2.gz ZTYKWDPIVDWUOA-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N1CCNC(=O)C1 ZINC001422292550 890569671 /nfs/dbraw/zinc/56/96/71/890569671.db2.gz SCKBSFZVBMYRHA-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001422288506 890569796 /nfs/dbraw/zinc/56/97/96/890569796.db2.gz MXIKMLFOUQARJL-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N(C)C ZINC001422294811 890570007 /nfs/dbraw/zinc/57/00/07/890570007.db2.gz GQZWSZGMXIFDTF-RKDXNWHRSA-N 0 3 288.348 -1.087 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)on1 ZINC001422294249 890569957 /nfs/dbraw/zinc/56/99/57/890569957.db2.gz FCRANBZLEITDIR-YUMQZZPRSA-N 0 3 298.299 -1.748 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)[C@H](C)NCC(=O)N(C)C ZINC001422294808 890570810 /nfs/dbraw/zinc/57/08/10/890570810.db2.gz GQZWSZGMXIFDTF-DTWKUNHWSA-N 0 3 288.348 -1.087 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001422293695 890570562 /nfs/dbraw/zinc/57/05/62/890570562.db2.gz UBUIAIDVYCZPNZ-LLVKDONJSA-N 0 3 297.359 -1.835 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001422308729 890572305 /nfs/dbraw/zinc/57/23/05/890572305.db2.gz GYHXZJPRHKNLIE-ZETCQYMHSA-N 0 3 271.281 -3.514 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)CC2(O)CCC2)C1=O ZINC001422302273 890572368 /nfs/dbraw/zinc/57/23/68/890572368.db2.gz FKWNYALQBJYHJY-GHMZBOCLSA-N 0 3 299.371 -1.411 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001422316361 890572425 /nfs/dbraw/zinc/57/24/25/890572425.db2.gz QPANKVGDDOHVIN-RKDXNWHRSA-N 0 3 283.336 -1.708 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001422306933 890572673 /nfs/dbraw/zinc/57/26/73/890572673.db2.gz CTAZEQFQOOQNSL-VIFPVBQESA-N 0 3 299.335 -2.736 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001422308705 890572758 /nfs/dbraw/zinc/57/27/58/890572758.db2.gz GYHXZJPRHKNLIE-SSDOTTSWSA-N 0 3 271.281 -3.514 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cn1ncnn1)C(=O)N(C)C ZINC001422312783 890572844 /nfs/dbraw/zinc/57/28/44/890572844.db2.gz LJGKPSGGVJPCCT-RKDXNWHRSA-N 0 3 299.335 -2.784 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cn1ncnn1)C(=O)N(C)C ZINC001422312778 890572885 /nfs/dbraw/zinc/57/28/85/890572885.db2.gz LJGKPSGGVJPCCT-DTWKUNHWSA-N 0 3 299.335 -2.784 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnnn1CC)C(N)=O ZINC001422304110 890572994 /nfs/dbraw/zinc/57/29/94/890572994.db2.gz IHRJVZGYEQPQQJ-DTWKUNHWSA-N 0 3 298.347 -1.758 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001422314657 890573214 /nfs/dbraw/zinc/57/32/14/890573214.db2.gz UNAZFDCQRZVFRW-JGVFFNPUSA-N 0 3 284.320 -2.370 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001422306891 890573271 /nfs/dbraw/zinc/57/32/71/890573271.db2.gz LWISJTSTJUTZRN-SECBINFHSA-N 0 3 283.332 -1.432 20 0 CAADHN CC[C@H](F)CNC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001422312881 890573472 /nfs/dbraw/zinc/57/34/72/890573472.db2.gz MFXOBFRBBNBMRM-IUCAKERBSA-N 0 3 274.300 -1.512 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001422316104 890573600 /nfs/dbraw/zinc/57/36/00/890573600.db2.gz HTYXCBVDQCSVHU-VIFPVBQESA-N 0 3 295.343 -1.744 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)CC1(O)CCC1 ZINC001422306898 890573702 /nfs/dbraw/zinc/57/37/02/890573702.db2.gz LYLMOLVWGQOMRV-SNVBAGLBSA-N 0 3 287.360 -1.506 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)CC2(O)CCC2)C1=O ZINC001422302281 890573726 /nfs/dbraw/zinc/57/37/26/890573726.db2.gz FKWNYALQBJYHJY-WDEREUQCSA-N 0 3 299.371 -1.411 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001422314860 890573750 /nfs/dbraw/zinc/57/37/50/890573750.db2.gz OOLTWJVGYMNGMQ-JTQLQIEISA-N 0 3 294.319 -2.327 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CN1CCOCC1=O ZINC001422308676 890573770 /nfs/dbraw/zinc/57/37/70/890573770.db2.gz DCBBZSOJQWZLMO-MRVPVSSYSA-N 0 3 288.304 -3.603 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CNCC(=O)N2CCOCC2)CC1 ZINC001422316268 890573835 /nfs/dbraw/zinc/57/38/35/890573835.db2.gz LTFCPRRVYWKAMG-NSHDSACASA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CC1(O)CCC1)C(N)=O ZINC001422305344 890574126 /nfs/dbraw/zinc/57/41/26/890574126.db2.gz KXSPGKGAMCTMMJ-DTWKUNHWSA-N 0 3 273.333 -1.768 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001422314863 890574220 /nfs/dbraw/zinc/57/42/20/890574220.db2.gz OOLTWJVGYMNGMQ-SNVBAGLBSA-N 0 3 294.319 -2.327 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1nnc(C)o1 ZINC001422312079 890574272 /nfs/dbraw/zinc/57/42/72/890574272.db2.gz RMCVQHDCQSXVJQ-VIFPVBQESA-N 0 3 299.331 -1.877 20 0 CAADHN CC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001422308901 890574341 /nfs/dbraw/zinc/57/43/41/890574341.db2.gz DZHGCVLHRFOGAF-SCVCMEIPSA-N 0 3 287.360 -1.386 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cncnc1 ZINC001422302439 890574470 /nfs/dbraw/zinc/57/44/70/890574470.db2.gz TXBJTJOUGJVBCD-JTQLQIEISA-N 0 3 281.316 -1.707 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)C1(C(F)F)CC1 ZINC001422309517 890574539 /nfs/dbraw/zinc/57/45/39/890574539.db2.gz HPYQIZMNLURAJA-HTQZYQBOSA-N 0 3 291.298 -1.013 20 0 CAADHN COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001422323046 890575345 /nfs/dbraw/zinc/57/53/45/890575345.db2.gz HOADKPMLPCNEDK-RKDXNWHRSA-N 0 3 284.316 -1.103 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnn(CCF)c1 ZINC001422338707 890575743 /nfs/dbraw/zinc/57/57/43/890575743.db2.gz FDIUHPRHXCODOD-SECBINFHSA-N 0 3 287.295 -1.982 20 0 CAADHN C[C@@H](NC(=O)c1cnc2n[nH]nc2c1)[C@H](C)NCC(N)=O ZINC001422327385 890575763 /nfs/dbraw/zinc/57/57/63/890575763.db2.gz PHYUZPLJOGVHLC-NKWVEPMBSA-N 0 3 291.315 -1.065 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001422319061 890576165 /nfs/dbraw/zinc/57/61/65/890576165.db2.gz YXDQITOCRBANDD-WDSKDSINSA-N 0 3 294.258 -2.097 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(C)nnc1C ZINC001422319340 890576257 /nfs/dbraw/zinc/57/62/57/890576257.db2.gz XZLFQJZPSAMUMB-JTQLQIEISA-N 0 3 295.343 -1.480 20 0 CAADHN C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001422320364 890576685 /nfs/dbraw/zinc/57/66/85/890576685.db2.gz FWSJXOOLMFQBGP-JGVFFNPUSA-N 0 3 270.289 -1.757 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cn1cncc1C ZINC001422334522 890576746 /nfs/dbraw/zinc/57/67/46/890576746.db2.gz SLPYEDSGSPYJLD-MNOVXSKESA-N 0 3 297.359 -1.607 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C)nnc1C ZINC001422319361 890576979 /nfs/dbraw/zinc/57/69/79/890576979.db2.gz XZLFQJZPSAMUMB-SNVBAGLBSA-N 0 3 295.343 -1.480 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cnc2n[nH]nc2c1 ZINC001422327393 890577160 /nfs/dbraw/zinc/57/71/60/890577160.db2.gz PHYUZPLJOGVHLC-RQJHMYQMSA-N 0 3 291.315 -1.065 20 0 CAADHN COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001422323039 890577192 /nfs/dbraw/zinc/57/71/92/890577192.db2.gz HOADKPMLPCNEDK-BDAKNGLRSA-N 0 3 284.316 -1.103 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1snnc1C1CC1 ZINC001422337339 890577216 /nfs/dbraw/zinc/57/72/16/890577216.db2.gz WEHYPCGBTSGOLM-SSDOTTSWSA-N 0 3 299.356 -1.419 20 0 CAADHN C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001422320382 890577257 /nfs/dbraw/zinc/57/72/57/890577257.db2.gz FWSJXOOLMFQBGP-YUMQZZPRSA-N 0 3 270.289 -1.757 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](O)CNCC(N)=O)CCC(=O)NC1 ZINC001422339643 890577369 /nfs/dbraw/zinc/57/73/69/890577369.db2.gz MBZBSVYOWDWVRA-PRHODGIISA-N 0 3 286.332 -2.545 20 0 CAADHN Cc1ncc(CC(=O)NC[C@@H](O)CNCC(=O)N(C)C)o1 ZINC001422331354 890577606 /nfs/dbraw/zinc/57/76/06/890577606.db2.gz VRCKIAMGJQILOG-JTQLQIEISA-N 0 3 298.343 -1.320 20 0 CAADHN CCc1nn(C)cc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001422322156 890577664 /nfs/dbraw/zinc/57/76/64/890577664.db2.gz GIMBCWBYUFTHGN-VIFPVBQESA-N 0 3 297.359 -1.591 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccsn1)C(N)=O ZINC001422336699 890577722 /nfs/dbraw/zinc/57/77/22/890577722.db2.gz VKVZXDDPXCYWIL-RNFRBKRXSA-N 0 3 272.330 -1.303 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1cc[nH]c1 ZINC001422322524 890577742 /nfs/dbraw/zinc/57/77/42/890577742.db2.gz QZXSRXKYQQNSAM-QWRGUYRKSA-N 0 3 280.328 -1.026 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1cnc(C)o1 ZINC001422321509 890577902 /nfs/dbraw/zinc/57/79/02/890577902.db2.gz MRAUXIFYMNFYSI-WCBMZHEXSA-N 0 3 298.343 -1.273 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cn1cncc1C ZINC001422334523 890578104 /nfs/dbraw/zinc/57/81/04/890578104.db2.gz SLPYEDSGSPYJLD-QWRGUYRKSA-N 0 3 297.359 -1.607 20 0 CAADHN C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001422320357 890578113 /nfs/dbraw/zinc/57/81/13/890578113.db2.gz FWSJXOOLMFQBGP-HTQZYQBOSA-N 0 3 270.289 -1.757 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1cnc(C)o1 ZINC001422321504 890578188 /nfs/dbraw/zinc/57/81/88/890578188.db2.gz MRAUXIFYMNFYSI-PSASIEDQSA-N 0 3 298.343 -1.273 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ncc2ccccn21 ZINC001422339358 890578237 /nfs/dbraw/zinc/57/82/37/890578237.db2.gz YQNNKQSVWBGCRF-JTQLQIEISA-N 0 3 291.311 -1.500 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1cnc(C)o1 ZINC001422321506 890578304 /nfs/dbraw/zinc/57/83/04/890578304.db2.gz MRAUXIFYMNFYSI-SCZZXKLOSA-N 0 3 298.343 -1.273 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001422344324 890579474 /nfs/dbraw/zinc/57/94/74/890579474.db2.gz GDOKSJLGIKMCSH-KOLCDFICSA-N 0 3 297.359 -1.502 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001422343234 890579944 /nfs/dbraw/zinc/57/99/44/890579944.db2.gz JOKFYTCWEWVGND-YUMQZZPRSA-N 0 3 295.361 -2.768 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CNCc2ccns2)n1 ZINC001422356649 890579992 /nfs/dbraw/zinc/57/99/92/890579992.db2.gz MRWHTCPUFOPDMH-ZETCQYMHSA-N 0 3 297.344 -1.453 20 0 CAADHN Cc1ncccc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001422351076 890580050 /nfs/dbraw/zinc/58/00/50/890580050.db2.gz WZQRKQBIEWXMKG-ZJUUUORDSA-N 0 3 280.328 -1.056 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001422356635 890580183 /nfs/dbraw/zinc/58/01/83/890580183.db2.gz MRGKOEIURYFLLS-BWZBUEFSSA-N 0 3 272.305 -2.096 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1n[nH]cc1F ZINC001422349103 890580194 /nfs/dbraw/zinc/58/01/94/890580194.db2.gz QXUCRRPJEKJWHT-ZCFIWIBFSA-N 0 3 273.268 -2.025 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001422355465 890580219 /nfs/dbraw/zinc/58/02/19/890580219.db2.gz SURWWRSODHWGFE-KOLCDFICSA-N 0 3 295.343 -1.371 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001422355654 890580305 /nfs/dbraw/zinc/58/03/05/890580305.db2.gz OITDFRPKGHBHSG-HTQZYQBOSA-N 0 3 294.377 -2.154 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001422343229 890580359 /nfs/dbraw/zinc/58/03/59/890580359.db2.gz JOKFYTCWEWVGND-JGVFFNPUSA-N 0 3 295.361 -2.768 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422356828 890580417 /nfs/dbraw/zinc/58/04/17/890580417.db2.gz NZQIIBXRUBEXMB-WUHRBBMRSA-N 0 3 294.355 -1.121 20 0 CAADHN CCn1ccc(C(=O)NC[C@H](O)CNCC(N)=O)c1C ZINC001422345308 890580560 /nfs/dbraw/zinc/58/05/60/890580560.db2.gz TVLBEPWDVFVDDU-SNVBAGLBSA-N 0 3 282.344 -1.018 20 0 CAADHN C[C@@H](NC(=O)c1cnco1)[C@H](C)NCC(=O)NC(N)=O ZINC001422350355 890580578 /nfs/dbraw/zinc/58/05/78/890580578.db2.gz JBLKTPMUBJDUKO-NKWVEPMBSA-N 0 3 283.288 -1.034 20 0 CAADHN Cc1ncccc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001422349197 890581094 /nfs/dbraw/zinc/58/10/94/890581094.db2.gz SDFZFGZQJYMEBA-PWSUYJOCSA-N 0 3 292.339 -1.041 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001422343554 890581245 /nfs/dbraw/zinc/58/12/45/890581245.db2.gz FFIHVNRFJBIXTC-YUMQZZPRSA-N 0 3 287.320 -3.177 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1Cc2ccccc21 ZINC001422347156 890581392 /nfs/dbraw/zinc/58/13/92/890581392.db2.gz PDBKRABYSZCZGA-JQWIXIFHSA-N 0 3 277.324 -1.122 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCn1ccnc1)C(N)=O ZINC001422353975 890581420 /nfs/dbraw/zinc/58/14/20/890581420.db2.gz WRPNIMKYGOKXFB-NXEZZACHSA-N 0 3 283.332 -1.786 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001422359494 890581498 /nfs/dbraw/zinc/58/14/98/890581498.db2.gz XIFKAYCSJINTED-GXSJLCMTSA-N 0 3 295.343 -1.323 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001422346613 890581598 /nfs/dbraw/zinc/58/15/98/890581598.db2.gz IXKAXRQCSWZVNW-DTWKUNHWSA-N 0 3 293.389 -1.350 20 0 CAADHN Cc1ncccc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001422349200 890581608 /nfs/dbraw/zinc/58/16/08/890581608.db2.gz SDFZFGZQJYMEBA-ZYHUDNBSSA-N 0 3 292.339 -1.041 20 0 CAADHN C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)NCC(N)=O ZINC001422355659 890581740 /nfs/dbraw/zinc/58/17/40/890581740.db2.gz OITDFRPKGHBHSG-JGVFFNPUSA-N 0 3 294.377 -2.154 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001422355484 890581769 /nfs/dbraw/zinc/58/17/69/890581769.db2.gz SURWWRSODHWGFE-ONGXEEELSA-N 0 3 295.343 -1.371 20 0 CAADHN Cn1ncnc1CNC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001422374799 890582637 /nfs/dbraw/zinc/58/26/37/890582637.db2.gz QMHWSOKTUVPACN-ZETCQYMHSA-N 0 3 280.292 -2.186 20 0 CAADHN Cn1ncnc1CNC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001422374799 890582645 /nfs/dbraw/zinc/58/26/45/890582645.db2.gz QMHWSOKTUVPACN-ZETCQYMHSA-N 0 3 280.292 -2.186 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001422360568 890583384 /nfs/dbraw/zinc/58/33/84/890583384.db2.gz SHTRPERJALLYQZ-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001422365303 890583095 /nfs/dbraw/zinc/58/30/95/890583095.db2.gz AWDXTIGWSWXMMW-QMMMGPOBSA-N 0 3 274.321 -2.547 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCN1CCOCC1 ZINC001422372931 890583514 /nfs/dbraw/zinc/58/35/14/890583514.db2.gz NQWOCMPWETVOSJ-JTQLQIEISA-N 0 3 288.348 -2.739 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n(C)n1 ZINC001422381156 890584165 /nfs/dbraw/zinc/58/41/65/890584165.db2.gz MEDCQAIBMQRZFK-WCBMZHEXSA-N 0 3 297.359 -1.463 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)Cc2c[nH]cn2)cn1 ZINC001422372265 890584280 /nfs/dbraw/zinc/58/42/80/890584280.db2.gz PNHWUJHODUWKTF-GFCCVEGCSA-N 0 3 292.343 -1.047 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)Cc2c[nH]cn2)cn1 ZINC001422372269 890584387 /nfs/dbraw/zinc/58/43/87/890584387.db2.gz PNHWUJHODUWKTF-LBPRGKRZSA-N 0 3 292.343 -1.047 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)n1 ZINC001422370235 890584538 /nfs/dbraw/zinc/58/45/38/890584538.db2.gz KHDBGUVALAGALB-VIFPVBQESA-N 0 3 296.331 -2.272 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001422373238 890584662 /nfs/dbraw/zinc/58/46/62/890584662.db2.gz BIPBMXPPHYCYHS-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN CCn1ccc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)n1 ZINC001422380906 890584678 /nfs/dbraw/zinc/58/46/78/890584678.db2.gz IPBNQQJFSXEIKY-JTQLQIEISA-N 0 3 297.359 -1.329 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cccnn1 ZINC001422379842 890584691 /nfs/dbraw/zinc/58/46/91/890584691.db2.gz KDCIZASWZDNCQZ-IUCAKERBSA-N 0 3 281.316 -1.709 20 0 CAADHN Cc1ncccc1CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001422369684 890584702 /nfs/dbraw/zinc/58/47/02/890584702.db2.gz PNPOFPHEWGPGIK-PWSUYJOCSA-N 0 3 294.355 -1.127 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccncn1)C(=O)N(C)C ZINC001422380831 890584716 /nfs/dbraw/zinc/58/47/16/890584716.db2.gz KSSMDOCWWVMXMS-ZJUUUORDSA-N 0 3 295.343 -1.366 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2ncccn2)C1=O ZINC001422380005 890584872 /nfs/dbraw/zinc/58/48/72/890584872.db2.gz KRXGDNVNKDAHLN-VHSXEESVSA-N 0 3 293.327 -1.612 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccncn1)C(=O)N(C)C ZINC001422380824 890584890 /nfs/dbraw/zinc/58/48/90/890584890.db2.gz KSSMDOCWWVMXMS-UWVGGRQHSA-N 0 3 295.343 -1.366 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCn1cccc1 ZINC001422399914 890586344 /nfs/dbraw/zinc/58/63/44/890586344.db2.gz WYXFYBYMSMLDPZ-LLVKDONJSA-N 0 3 282.344 -1.309 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1ncccn1 ZINC001422378152 890584961 /nfs/dbraw/zinc/58/49/61/890584961.db2.gz INRWUVPIEATJRX-SNVBAGLBSA-N 0 3 295.343 -1.778 20 0 CAADHN CCc1ncoc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001422365021 890585202 /nfs/dbraw/zinc/58/52/02/890585202.db2.gz KZYRQZBBANCLNW-QMMMGPOBSA-N 0 3 284.316 -1.337 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1c[nH]cn1)C(=O)N(C)C ZINC001422379095 890585262 /nfs/dbraw/zinc/58/52/62/890585262.db2.gz XSYUZNPEYAOJTM-ONGXEEELSA-N 0 3 297.359 -1.504 20 0 CAADHN C[C@@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001422364994 890585560 /nfs/dbraw/zinc/58/55/60/890585560.db2.gz KUXWDSNOEISMEU-ZJUUUORDSA-N 0 3 296.327 -1.599 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001422399295 890586317 /nfs/dbraw/zinc/58/63/17/890586317.db2.gz NLALDGQNHBNHEF-VIFPVBQESA-N 0 3 280.328 -1.331 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CNCc1cncn1C ZINC001422400246 890586433 /nfs/dbraw/zinc/58/64/33/890586433.db2.gz DJDZDBFKXROTDZ-JTQLQIEISA-N 0 3 294.315 -1.008 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1c[nH]nc1C1CC1)C(N)=O ZINC001422390007 890586481 /nfs/dbraw/zinc/58/64/81/890586481.db2.gz WZGXKSWYMJJLML-CBAPKCEASA-N 0 3 295.343 -1.159 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001422387407 890586588 /nfs/dbraw/zinc/58/65/88/890586588.db2.gz URUYNRGHBIYSRL-DTWKUNHWSA-N 0 3 282.300 -1.448 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001422382573 890586678 /nfs/dbraw/zinc/58/66/78/890586678.db2.gz BGFSWODDWIVANI-JGVFFNPUSA-N 0 3 272.349 -1.131 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1c[nH]nc1C1CC1)C(N)=O ZINC001422390014 890587212 /nfs/dbraw/zinc/58/72/12/890587212.db2.gz WZGXKSWYMJJLML-VXNVDRBHSA-N 0 3 295.343 -1.159 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001422399288 890587705 /nfs/dbraw/zinc/58/77/05/890587705.db2.gz NLALDGQNHBNHEF-SECBINFHSA-N 0 3 280.328 -1.331 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cnon1 ZINC001422384696 890587772 /nfs/dbraw/zinc/58/77/72/890587772.db2.gz VIKGSUFLGRJMRH-RNFRBKRXSA-N 0 3 298.303 -1.378 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001422382580 890587928 /nfs/dbraw/zinc/58/79/28/890587928.db2.gz NKBFBWBKKZADFP-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001422401075 890588036 /nfs/dbraw/zinc/58/80/36/890588036.db2.gz FYXZUQKKAYXXQP-IUCAKERBSA-N 0 3 299.331 -1.465 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cn(CC)cn1 ZINC001422400492 890588380 /nfs/dbraw/zinc/58/83/80/890588380.db2.gz OIYNLPNPBSWVGT-JTQLQIEISA-N 0 3 297.359 -1.281 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(C2CC2)no1 ZINC001422381411 890588415 /nfs/dbraw/zinc/58/84/15/890588415.db2.gz ZOHAIMZSQJJSPR-VIFPVBQESA-N 0 3 296.327 -1.022 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CNCC(N)=O)nn1C ZINC001422400886 890588452 /nfs/dbraw/zinc/58/84/52/890588452.db2.gz FMPLPVKGGKKVKU-SECBINFHSA-N 0 3 283.332 -1.852 20 0 CAADHN CCn1cnc(C(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC)c1 ZINC001422391707 890588479 /nfs/dbraw/zinc/58/84/79/890588479.db2.gz BZBREBMADKYZJC-ZJUUUORDSA-N 0 3 297.359 -1.282 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001422389885 890588583 /nfs/dbraw/zinc/58/85/83/890588583.db2.gz VRZPSGPQVLWJCU-SECBINFHSA-N 0 3 280.288 -1.316 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1nccs1 ZINC001422391641 890588698 /nfs/dbraw/zinc/58/86/98/890588698.db2.gz ZMKMDWQQLKPENO-SFYZADRCSA-N 0 3 286.357 -1.042 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001422382583 890588828 /nfs/dbraw/zinc/58/88/28/890588828.db2.gz NKBFBWBKKZADFP-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN COc1cccnc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001422392086 890588955 /nfs/dbraw/zinc/58/89/55/890588955.db2.gz NFWZOKMKCQZDQN-MRVPVSSYSA-N 0 3 282.300 -1.744 20 0 CAADHN Cn1ccc(CNC[C@@H](O)CNC(=O)Cc2nnc[nH]2)n1 ZINC001422399232 890589077 /nfs/dbraw/zinc/58/90/77/890589077.db2.gz MSKQWRLCTZHJSS-SNVBAGLBSA-N 0 3 293.331 -1.652 20 0 CAADHN Cc1nn(CC(=O)N[C@@H](C)[C@H](C)NCC(N)=O)c(=O)n1C ZINC001422432625 890589989 /nfs/dbraw/zinc/58/99/89/890589989.db2.gz XXCHZKVOXRNWKS-YUMQZZPRSA-N 0 3 298.347 -2.142 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc(Cl)no1 ZINC001422405211 890590019 /nfs/dbraw/zinc/59/00/19/890590019.db2.gz NSZMLAIXFWFTFB-YFKPBYRVSA-N 0 3 276.680 -1.506 20 0 CAADHN O=C(NC[C@@H](O)CNCc1ccccn1)[C@@H]1CCC(=O)N1 ZINC001422402659 890590108 /nfs/dbraw/zinc/59/01/08/890590108.db2.gz LAZIYLPVPKTWQK-RYUDHWBXSA-N 0 3 292.339 -1.073 20 0 CAADHN Cc1nccc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)n1 ZINC001422412503 890590198 /nfs/dbraw/zinc/59/01/98/890590198.db2.gz OSIYKFDVDDYEEC-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001422402908 890590219 /nfs/dbraw/zinc/59/02/19/890590219.db2.gz KQEAQZSYYNDKAP-QMMMGPOBSA-N 0 3 288.348 -2.299 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001422458346 890590304 /nfs/dbraw/zinc/59/03/04/890590304.db2.gz XMRVWBCOZMJRLY-VIFPVBQESA-N 0 3 295.343 -1.294 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CNCC(=O)NC(C)C ZINC001422407167 890590354 /nfs/dbraw/zinc/59/03/54/890590354.db2.gz QOVPTQPZGVCZJB-SECBINFHSA-N 0 3 299.331 -1.417 20 0 CAADHN O=C(NC[C@H](O)CNCc1ccccn1)[C@@H]1CCC(=O)N1 ZINC001422402656 890590366 /nfs/dbraw/zinc/59/03/66/890590366.db2.gz LAZIYLPVPKTWQK-NEPJUHHUSA-N 0 3 292.339 -1.073 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001422404873 890590667 /nfs/dbraw/zinc/59/06/67/890590667.db2.gz HJQOFPSAVILBOE-SECBINFHSA-N 0 3 284.320 -2.567 20 0 CAADHN Cc1nn(C(C)C)cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001422406050 890591146 /nfs/dbraw/zinc/59/11/46/890591146.db2.gz WWALMONXFVHQFB-JTQLQIEISA-N 0 3 297.359 -1.062 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1cccc(F)c1 ZINC001422413140 890591214 /nfs/dbraw/zinc/59/12/14/890591214.db2.gz RWZGCOWELTWKEC-LLVKDONJSA-N 0 3 283.303 -1.080 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1[nH]cnc1C)C(N)=O ZINC001422405001 890592027 /nfs/dbraw/zinc/59/20/27/890592027.db2.gz MDRAKAHWJQRHSW-IUCAKERBSA-N 0 3 283.332 -1.338 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1[nH]cnc1C)C(N)=O ZINC001422405000 890591670 /nfs/dbraw/zinc/59/16/70/890591670.db2.gz MDRAKAHWJQRHSW-DTWKUNHWSA-N 0 3 283.332 -1.338 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc(Cl)no1 ZINC001422405203 890591728 /nfs/dbraw/zinc/59/17/28/890591728.db2.gz NSZMLAIXFWFTFB-RXMQYKEDSA-N 0 3 276.680 -1.506 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCNC(N)=O ZINC001422414116 890591911 /nfs/dbraw/zinc/59/19/11/890591911.db2.gz KONHYFUAPSPNOJ-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](O)CNCc1nnn(C)n1 ZINC001422433014 890592091 /nfs/dbraw/zinc/59/20/91/890592091.db2.gz YCBLCDZOSKLOPQ-SNVBAGLBSA-N 0 3 299.379 -1.883 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001422417694 890592138 /nfs/dbraw/zinc/59/21/38/890592138.db2.gz BJZWJLZOHAUZCI-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1COC(=O)N1 ZINC001422438292 890592287 /nfs/dbraw/zinc/59/22/87/890592287.db2.gz FVSHYHNCIVBJEV-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)CNC(C)=O ZINC001422438192 890592513 /nfs/dbraw/zinc/59/25/13/890592513.db2.gz PNDQDLWFWRSOEO-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN Cc1nc([C@@H](C)NC[C@@H](C)NC(=O)Cn2cnnn2)n[nH]1 ZINC001422455617 890592668 /nfs/dbraw/zinc/59/26/68/890592668.db2.gz OMGNHNMFAFPEQA-HTQZYQBOSA-N 0 3 293.335 -1.045 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCNC(N)=O ZINC001422414113 890592691 /nfs/dbraw/zinc/59/26/91/890592691.db2.gz KONHYFUAPSPNOJ-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001422403957 890592890 /nfs/dbraw/zinc/59/28/90/890592890.db2.gz MJELFTYQHFMFQG-JTQLQIEISA-N 0 3 297.359 -1.375 20 0 CAADHN CCOCC(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001422453328 890592924 /nfs/dbraw/zinc/59/29/24/890592924.db2.gz QUQUSKMRURUDCA-MRVPVSSYSA-N 0 3 271.321 -1.261 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CN1CCCC1=O ZINC001422451608 890593064 /nfs/dbraw/zinc/59/30/64/890593064.db2.gz ASAAOHFUXSMKBJ-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN Cc1nn(CC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O)c(=O)n1C ZINC001422432618 890593087 /nfs/dbraw/zinc/59/30/87/890593087.db2.gz XXCHZKVOXRNWKS-SFYZADRCSA-N 0 3 298.347 -2.142 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)CN2CCCC2)nn1 ZINC001422401920 890593218 /nfs/dbraw/zinc/59/32/18/890593218.db2.gz HPVCPEQROHTCRS-LBPRGKRZSA-N 0 3 296.375 -1.522 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001422512797 890594071 /nfs/dbraw/zinc/59/40/71/890594071.db2.gz SRYCONHYAGCFFA-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001422523615 890594229 /nfs/dbraw/zinc/59/42/29/890594229.db2.gz PINNXFYIZDKFNV-NXEZZACHSA-N 0 3 296.371 -1.115 20 0 CAADHN CCn1ccnc1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001422497214 890594406 /nfs/dbraw/zinc/59/44/06/890594406.db2.gz GSGBGDIRFKNKRE-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001422519674 890594474 /nfs/dbraw/zinc/59/44/74/890594474.db2.gz KVMUPJBVIZLDLG-SSDOTTSWSA-N 0 3 283.288 -2.472 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001422535954 890594702 /nfs/dbraw/zinc/59/47/02/890594702.db2.gz QBXRTQDQAUISBU-MXWKQRLJSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001422501732 890594745 /nfs/dbraw/zinc/59/47/45/890594745.db2.gz TVIBLOCHLHUUHJ-RQJHMYQMSA-N 0 3 277.346 -2.001 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1ccc(=O)n(C)c1 ZINC001422513471 890595055 /nfs/dbraw/zinc/59/50/55/890595055.db2.gz SFNCGZBDBOLMJH-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001422523619 890595113 /nfs/dbraw/zinc/59/51/13/890595113.db2.gz PINNXFYIZDKFNV-ZJUUUORDSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1cnns1 ZINC001422474381 890595859 /nfs/dbraw/zinc/59/58/59/890595859.db2.gz IUMWWEXWQVDWKO-RXMQYKEDSA-N 0 3 286.317 -1.559 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CCNC1=O ZINC001422512796 890595890 /nfs/dbraw/zinc/59/58/90/890595890.db2.gz SRYCONHYAGCFFA-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN Cc1nn(C)cc1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001422470764 890596422 /nfs/dbraw/zinc/59/64/22/890596422.db2.gz LYPSPWPLRVVEQB-SSDOTTSWSA-N 0 3 296.331 -1.369 20 0 CAADHN CNC(=O)CCCC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001422484247 890596402 /nfs/dbraw/zinc/59/64/02/890596402.db2.gz YDZACTOAVPXNOK-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1COCCO1 ZINC001422463424 890596508 /nfs/dbraw/zinc/59/65/08/890596508.db2.gz ODDUBSLAOANEBA-MWLCHTKSSA-N 0 3 285.344 -1.225 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001422471950 890596666 /nfs/dbraw/zinc/59/66/66/890596666.db2.gz TUJBYJPRCNZUQM-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)C[C@@H](C)NC(N)=O ZINC001422500316 890596694 /nfs/dbraw/zinc/59/66/94/890596694.db2.gz WGQBIRSXMRKURZ-RKDXNWHRSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCCOC1 ZINC001422468536 890597008 /nfs/dbraw/zinc/59/70/08/890597008.db2.gz IKTAETSVJMFOIB-RKDXNWHRSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001422536592 890597455 /nfs/dbraw/zinc/59/74/55/890597455.db2.gz VJUBMDIGNWXPKI-SECBINFHSA-N 0 3 297.363 -1.215 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)[C@H](C)NC(N)=O ZINC001422495184 890597908 /nfs/dbraw/zinc/59/79/08/890597908.db2.gz IJNQPRONMIRFFZ-VGMNWLOBSA-N 0 3 299.375 -1.195 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H](C)CC(N)=O ZINC001422542486 890598663 /nfs/dbraw/zinc/59/86/63/890598663.db2.gz YXONMCMCRSIIEE-HTQZYQBOSA-N 0 3 298.347 -1.786 20 0 CAADHN COC[C@H](OC)C(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001422547132 890598753 /nfs/dbraw/zinc/59/87/53/890598753.db2.gz OJVULHOIGLLGGV-ZJUUUORDSA-N 0 3 275.349 -1.170 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC001422597490 890598847 /nfs/dbraw/zinc/59/88/47/890598847.db2.gz KUDSIAKPPAZQPP-BDAKNGLRSA-N 0 3 296.327 -1.023 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1cnn(C)n1 ZINC001422584977 890598873 /nfs/dbraw/zinc/59/88/73/890598873.db2.gz WNLLWLHSZALEIO-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NC[C@H](C)N(C)CCO ZINC001422589467 890599248 /nfs/dbraw/zinc/59/92/48/890599248.db2.gz XKJNZAWVEGFGCU-JTQLQIEISA-N 0 3 295.405 -1.303 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001422565272 890599369 /nfs/dbraw/zinc/59/93/69/890599369.db2.gz OTPCCVNFMGSJQZ-RKDXNWHRSA-N 0 3 286.332 -1.286 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001422589754 890599489 /nfs/dbraw/zinc/59/94/89/890599489.db2.gz JVAANSSHKCZPSX-UTLUCORTSA-N 0 3 284.360 -1.164 20 0 CAADHN C[C@H](CNCc1ccnn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001422547747 890600404 /nfs/dbraw/zinc/60/04/04/890600404.db2.gz FJRZVNOLTRKNMM-SCZZXKLOSA-N 0 3 280.332 -1.304 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)NC(=O)c2nnn(C)n2)C1=O ZINC001422543649 890600572 /nfs/dbraw/zinc/60/05/72/890600572.db2.gz NTSKMLMLCZEZPR-RKDXNWHRSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)Cc1nnc[nH]1 ZINC001422576968 890600655 /nfs/dbraw/zinc/60/06/55/890600655.db2.gz IBAGXNMEIYXRLG-RKDXNWHRSA-N 0 3 282.348 -1.082 20 0 CAADHN CNC(=O)NC(=O)CN(C)[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC001422562722 890600765 /nfs/dbraw/zinc/60/07/65/890600765.db2.gz FJVGVMKUQICCEV-ZETCQYMHSA-N 0 3 297.319 -1.690 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)Cc1nc(C2CC2)nn1C ZINC001422595856 890600842 /nfs/dbraw/zinc/60/08/42/890600842.db2.gz GXZAPQRQRWRKKF-MRVPVSSYSA-N 0 3 294.359 -1.185 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001422537075 890601031 /nfs/dbraw/zinc/60/10/31/890601031.db2.gz AKYPDAOXCUZFTA-SECBINFHSA-N 0 3 298.347 -2.188 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001422583873 890601187 /nfs/dbraw/zinc/60/11/87/890601187.db2.gz CJXSCCGDGJOPEK-DCAQKATOSA-N 0 3 287.360 -1.291 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001422583875 890601462 /nfs/dbraw/zinc/60/14/62/890601462.db2.gz CJXSCCGDGJOPEK-VWYCJHECSA-N 0 3 287.360 -1.291 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001422569940 890601528 /nfs/dbraw/zinc/60/15/28/890601528.db2.gz RIHJDVFYLGNDGP-HTQZYQBOSA-N 0 3 294.377 -2.236 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001422598463 890602850 /nfs/dbraw/zinc/60/28/50/890602850.db2.gz HHPJYJHIKCVZAU-RKDXNWHRSA-N 0 3 295.343 -1.377 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)CCNC(N)=O ZINC001422602073 890602973 /nfs/dbraw/zinc/60/29/73/890602973.db2.gz NFDQMGKHBLVOKE-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001422615143 890603127 /nfs/dbraw/zinc/60/31/27/890603127.db2.gz CJVUAAXHPPGXCV-BDAKNGLRSA-N 0 3 297.359 -1.434 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)CCNC(N)=O ZINC001422607166 890604045 /nfs/dbraw/zinc/60/40/45/890604045.db2.gz UGGZIVVXGPKWHE-SECBINFHSA-N 0 3 287.364 -1.336 20 0 CAADHN CCCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)Cn1cnnn1 ZINC001422622971 890604543 /nfs/dbraw/zinc/60/45/43/890604543.db2.gz JREAMUVCQCTGRO-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001422605499 890604674 /nfs/dbraw/zinc/60/46/74/890604674.db2.gz QABBVLKTORSPIE-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001422630376 890605749 /nfs/dbraw/zinc/60/57/49/890605749.db2.gz JONDDQQXWVHSKI-IVZWLZJFSA-N 0 3 282.344 -1.362 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001422656965 890605867 /nfs/dbraw/zinc/60/58/67/890605867.db2.gz TVIBLOCHLHUUHJ-NKWVEPMBSA-N 0 3 277.346 -2.001 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cnc2n[nH]nc2c1 ZINC001422658992 890606396 /nfs/dbraw/zinc/60/63/96/890606396.db2.gz FZOHYPXMNPCNLC-LURJTMIESA-N 0 3 277.288 -1.454 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@H](C)OC ZINC001422628355 890606693 /nfs/dbraw/zinc/60/66/93/890606693.db2.gz AMIJMIWVYPTELR-CIUDSAMLSA-N 0 3 288.348 -1.040 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)C1CS(=O)(=O)C1 ZINC001422653112 890607024 /nfs/dbraw/zinc/60/70/24/890607024.db2.gz IWWPPCWYDWHDGD-QMMMGPOBSA-N 0 3 291.373 -1.787 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CCn1ccnn1 ZINC001422654433 890607140 /nfs/dbraw/zinc/60/71/40/890607140.db2.gz TZBOQJPDYBIRHK-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cn(CCOC)nn1 ZINC001422643955 890607220 /nfs/dbraw/zinc/60/72/20/890607220.db2.gz QWCUOAMEALZYHF-VIFPVBQESA-N 0 3 298.347 -1.622 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cccn2nnnc12)C(N)=O ZINC001422650735 890607730 /nfs/dbraw/zinc/60/77/30/890607730.db2.gz ASLHVZQDSVFZLU-JGVFFNPUSA-N 0 3 291.315 -1.294 20 0 CAADHN CCn1cc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)cn1 ZINC001422631186 890607758 /nfs/dbraw/zinc/60/77/58/890607758.db2.gz KUXNWHDVLVEHIR-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001422659857 890607902 /nfs/dbraw/zinc/60/79/02/890607902.db2.gz GOXKVJSPGURWAO-IUCAKERBSA-N 0 3 293.327 -1.623 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cncnc1 ZINC001422638263 890607912 /nfs/dbraw/zinc/60/79/12/890607912.db2.gz AROYWPNYCNOOGH-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001422659845 890608079 /nfs/dbraw/zinc/60/80/79/890608079.db2.gz GOXKVJSPGURWAO-DTWKUNHWSA-N 0 3 293.327 -1.623 20 0 CAADHN CCCC[C@H](NC[C@H](C)NC(=O)c1nnn(C)n1)C(N)=O ZINC001422702081 890608700 /nfs/dbraw/zinc/60/87/00/890608700.db2.gz PGCFEBPUXRLMSL-IUCAKERBSA-N 0 3 297.363 -1.038 20 0 CAADHN CCCC[C@@H](NC[C@H](C)NC(=O)c1nnn(C)n1)C(N)=O ZINC001422702072 890609475 /nfs/dbraw/zinc/60/94/75/890609475.db2.gz PGCFEBPUXRLMSL-DTWKUNHWSA-N 0 3 297.363 -1.038 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001422700075 890609594 /nfs/dbraw/zinc/60/95/94/890609594.db2.gz JUFWJOUGESOSEJ-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)COCc1ccnn1C ZINC001422660888 890609614 /nfs/dbraw/zinc/60/96/14/890609614.db2.gz NUPHSVJHWWTBCK-JTQLQIEISA-N 0 3 297.359 -1.223 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001422682399 890609761 /nfs/dbraw/zinc/60/97/61/890609761.db2.gz MKPLNGLSWNPDHG-MRBYEJRBSA-N 0 3 299.371 -1.122 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CS(=O)(=O)N(C)C ZINC001422735372 890609983 /nfs/dbraw/zinc/60/99/83/890609983.db2.gz IPJCFRZIGXIIQO-YUMQZZPRSA-N 0 3 294.377 -2.154 20 0 CAADHN COC[C@H](O)CN1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001422736730 890609992 /nfs/dbraw/zinc/60/99/92/890609992.db2.gz XTIMYSQMJMRZHZ-MWLCHTKSSA-N 0 3 298.347 -1.883 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001422666509 890610032 /nfs/dbraw/zinc/61/00/32/890610032.db2.gz IYEQOERESZQGFV-DTWKUNHWSA-N 0 3 298.347 -2.060 20 0 CAADHN Cc1nn(C)c(=O)c(C(=O)N[C@@H](C)CNCC(N)=O)c1C ZINC001422680554 890610043 /nfs/dbraw/zinc/61/00/43/890610043.db2.gz IYNBXGBPHYYWME-ZETCQYMHSA-N 0 3 295.343 -1.410 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C1(S(C)(=O)=O)CCC1 ZINC001422725056 890610071 /nfs/dbraw/zinc/61/00/71/890610071.db2.gz VQVZTACMGCCXEK-QMMMGPOBSA-N 0 3 291.373 -1.467 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1c[nH]c(=O)cn1 ZINC001422702889 890610136 /nfs/dbraw/zinc/61/01/36/890610136.db2.gz FPCBVWMNUCGBTK-QMMMGPOBSA-N 0 3 281.316 -1.434 20 0 CAADHN Cc1conc1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001422732868 890610159 /nfs/dbraw/zinc/61/01/59/890610159.db2.gz VDPNNIDVEQKEQL-ZETCQYMHSA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CS(=O)(=O)N(C)C)C(N)=O ZINC001422735369 890610441 /nfs/dbraw/zinc/61/04/41/890610441.db2.gz IPJCFRZIGXIIQO-JGVFFNPUSA-N 0 3 294.377 -2.154 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccnc2n[nH]nc21 ZINC001422674560 890610552 /nfs/dbraw/zinc/61/05/52/890610552.db2.gz DNEZVPIFARNZOF-ZETCQYMHSA-N 0 3 291.315 -1.193 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001422702016 890610564 /nfs/dbraw/zinc/61/05/64/890610564.db2.gz NVKXMCPEGPVGIU-RWEMILLDSA-N 0 3 282.344 -1.362 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccnc(OC)n1 ZINC001422680473 890610989 /nfs/dbraw/zinc/61/09/89/890610989.db2.gz UGMNPHJSFPRJNX-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN CCC(=O)N1CC[C@H](C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001422733290 890610713 /nfs/dbraw/zinc/61/07/13/890610713.db2.gz ZEALAZKHIWLLEL-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001422694298 890610735 /nfs/dbraw/zinc/61/07/35/890610735.db2.gz DAVSEOSRXAAXNA-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001422695958 890610944 /nfs/dbraw/zinc/61/09/44/890610944.db2.gz LWUPDYYIWJGYEJ-AEJSXWLSSA-N 0 3 284.360 -1.272 20 0 CAADHN COC[C@@H](O)CN1CC([C@@H](C)NC(=O)c2ncn(C)n2)C1 ZINC001422719279 890611088 /nfs/dbraw/zinc/61/10/88/890611088.db2.gz BRDZNBLSODWFMP-KOLCDFICSA-N 0 3 297.359 -1.128 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001422737339 890612437 /nfs/dbraw/zinc/61/24/37/890612437.db2.gz XJHKUJQMZUFBHU-DTWKUNHWSA-N 0 3 285.348 -1.501 20 0 CAADHN COC[C@@H](O)CN1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001422736732 890612449 /nfs/dbraw/zinc/61/24/49/890612449.db2.gz XTIMYSQMJMRZHZ-ONGXEEELSA-N 0 3 298.347 -1.883 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cn(C)c(=O)n1C ZINC001422761407 890612495 /nfs/dbraw/zinc/61/24/95/890612495.db2.gz QKZFFSGEKFKFQU-YUMQZZPRSA-N 0 3 283.332 -1.695 20 0 CAADHN Cc1nonc1C(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001422758339 890612637 /nfs/dbraw/zinc/61/26/37/890612637.db2.gz OUELAJMGMUYFJZ-LURJTMIESA-N 0 3 295.303 -1.292 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)CNC(C)=O ZINC001422781104 890612799 /nfs/dbraw/zinc/61/27/99/890612799.db2.gz QDEJQZBIRUAPDF-GXSJLCMTSA-N 0 3 275.349 -1.434 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)Cc2ccon2)CCO1 ZINC001422855819 890616151 /nfs/dbraw/zinc/61/61/51/890616151.db2.gz KEGREOHHAJVGHL-GXSJLCMTSA-N 0 3 296.327 -1.092 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001422857723 890616258 /nfs/dbraw/zinc/61/62/58/890616258.db2.gz ORZBOJKQNOVNHY-QWRGUYRKSA-N 0 3 299.371 -1.018 20 0 CAADHN Cc1nnc(CC(=O)N2CCO[C@@H]([C@@H](C)[NH2+]CCO)C2)[n-]1 ZINC001422850566 890616558 /nfs/dbraw/zinc/61/65/58/890616558.db2.gz IMZSLMMQKBKLDI-MWLCHTKSSA-N 0 3 297.359 -1.147 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)Cc2ccon2)CCO1 ZINC001422855827 890616651 /nfs/dbraw/zinc/61/66/51/890616651.db2.gz KEGREOHHAJVGHL-ONGXEEELSA-N 0 3 296.327 -1.092 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H](C)CN(C)CCO ZINC001422838316 890617088 /nfs/dbraw/zinc/61/70/88/890617088.db2.gz ZDYRHQYKMIVYLS-VIFPVBQESA-N 0 3 281.378 -1.646 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnco2)CCO1 ZINC001422862757 890617152 /nfs/dbraw/zinc/61/71/52/890617152.db2.gz TYBKOFBKCWZZBL-WCBMZHEXSA-N 0 3 282.300 -1.021 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001422858753 890617265 /nfs/dbraw/zinc/61/72/65/890617265.db2.gz RXKMQJZJSSCMOU-ZJUUUORDSA-N 0 3 295.343 -1.357 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001422869724 890617374 /nfs/dbraw/zinc/61/73/74/890617374.db2.gz GPLBWOFJAKNGFD-IJLUTSLNSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001422858749 890617436 /nfs/dbraw/zinc/61/74/36/890617436.db2.gz RXKMQJZJSSCMOU-UWVGGRQHSA-N 0 3 295.343 -1.357 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)Cc2ccon2)CCO1 ZINC001422855825 890617818 /nfs/dbraw/zinc/61/78/18/890617818.db2.gz KEGREOHHAJVGHL-MWLCHTKSSA-N 0 3 296.327 -1.092 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnco2)CCO1 ZINC001422862750 890617965 /nfs/dbraw/zinc/61/79/65/890617965.db2.gz TYBKOFBKCWZZBL-PSASIEDQSA-N 0 3 282.300 -1.021 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnco2)CCO1 ZINC001422862754 890618125 /nfs/dbraw/zinc/61/81/25/890618125.db2.gz TYBKOFBKCWZZBL-SCZZXKLOSA-N 0 3 282.300 -1.021 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1CC1 ZINC001422973023 890619567 /nfs/dbraw/zinc/61/95/67/890619567.db2.gz LQCFBOLDPPJKOC-KCJUWKMLSA-N 0 3 284.360 -1.259 20 0 CAADHN COCC(=O)N[C@H](CNCC(=O)N1CCOCC1)C1CC1 ZINC001422977946 890619585 /nfs/dbraw/zinc/61/95/85/890619585.db2.gz WAVACZWOVADVDT-GFCCVEGCSA-N 0 3 299.371 -1.024 20 0 CAADHN CN(C(=O)[C@H]1COCCO1)[C@@H](CNCC(N)=O)C1CC1 ZINC001422969770 890620062 /nfs/dbraw/zinc/62/00/62/890620062.db2.gz PNDBMAJKCGOCIF-WDEREUQCSA-N 0 3 285.344 -1.286 20 0 CAADHN CN(C(=O)[C@@H]1COCCO1)[C@@H](CNCC(N)=O)C1CC1 ZINC001422969767 890620081 /nfs/dbraw/zinc/62/00/81/890620081.db2.gz PNDBMAJKCGOCIF-QWRGUYRKSA-N 0 3 285.344 -1.286 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H](C)NC(C)=O)C1CC1 ZINC001422973026 890620134 /nfs/dbraw/zinc/62/01/34/890620134.db2.gz LQCFBOLDPPJKOC-KWQFWETISA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001422975332 890620406 /nfs/dbraw/zinc/62/04/06/890620406.db2.gz QPKKPVBXXRQNJY-NSHDSACASA-N 0 3 296.371 -1.257 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](NC(=O)c1ccon1)C1CC1 ZINC001422977846 890620720 /nfs/dbraw/zinc/62/07/20/890620720.db2.gz VTWGEYBOHYOZJP-SECBINFHSA-N 0 3 295.299 -1.033 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](CNCC(=O)NC)C1CC1 ZINC001422977466 890620890 /nfs/dbraw/zinc/62/08/90/890620890.db2.gz ASFVSGYIFAIVRG-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](N[C@H](C)CN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001423054263 890622005 /nfs/dbraw/zinc/62/20/05/890622005.db2.gz RVQBOHRDGLCNFP-RKDXNWHRSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cocn1)NCC(=O)NC(N)=O ZINC001423050672 890622030 /nfs/dbraw/zinc/62/20/30/890622030.db2.gz NUJIVFXCJMABGB-ZETCQYMHSA-N 0 3 283.288 -1.080 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncnn1)N[C@H]1CCN(C)C1=O ZINC001423053140 890622087 /nfs/dbraw/zinc/62/20/87/890622087.db2.gz PTEYPKSPAAYYLR-ZJUUUORDSA-N 0 3 295.347 -1.660 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)Cn1cncn1)C1CC1)C(N)=O ZINC001423057387 890622436 /nfs/dbraw/zinc/62/24/36/890622436.db2.gz DJSNAPNFRBRNNS-WCBMZHEXSA-N 0 3 280.332 -1.364 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CC1 ZINC001423020961 890622493 /nfs/dbraw/zinc/62/24/93/890622493.db2.gz OFRJANPFZWQPPW-LPEHRKFASA-N 0 3 298.343 -2.011 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncnn1)N[C@@H]1CCN(C)C1=O ZINC001423053132 890622514 /nfs/dbraw/zinc/62/25/14/890622514.db2.gz PTEYPKSPAAYYLR-VHSXEESVSA-N 0 3 295.347 -1.660 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001423027968 890622661 /nfs/dbraw/zinc/62/26/61/890622661.db2.gz JRASUWSGKWBVGF-JTQLQIEISA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](CN(C)C(=O)c1ncn(C)n1)NCC(=O)NC(N)=O ZINC001423045238 890622740 /nfs/dbraw/zinc/62/27/40/890622740.db2.gz PZGMSPJMWGZMRF-SSDOTTSWSA-N 0 3 297.319 -1.940 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)N[C@H]2CCNC2=O)C1 ZINC001423062723 890623016 /nfs/dbraw/zinc/62/30/16/890623016.db2.gz LMIGBBKQSTZFHK-SKDRFNHKSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001423034499 890623111 /nfs/dbraw/zinc/62/31/11/890623111.db2.gz XIQZSLWEAQZVIG-BDAKNGLRSA-N 0 3 283.332 -2.102 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001423027378 890623126 /nfs/dbraw/zinc/62/31/26/890623126.db2.gz NVLDGIPWWOFOFQ-NXEZZACHSA-N 0 3 297.359 -1.760 20 0 CAADHN CN1CC[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC1=O ZINC001423008113 890623216 /nfs/dbraw/zinc/62/32/16/890623216.db2.gz RXLZAUHBRYAYMV-QWRGUYRKSA-N 0 3 296.371 -1.176 20 0 CAADHN CN(C(=O)[C@H]1CCC(=O)N1)[C@H](CNCC(N)=O)C1CC1 ZINC001422986872 890623255 /nfs/dbraw/zinc/62/32/55/890623255.db2.gz MOCJFWRYEYZCQD-NXEZZACHSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)c1nnn(C)c1C)C1CC1 ZINC001422989791 890623316 /nfs/dbraw/zinc/62/33/16/890623316.db2.gz PTKINARELKTZBZ-JTQLQIEISA-N 0 3 294.359 -1.032 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](NC(=O)c1cocn1)C1CC1 ZINC001422991038 890623362 /nfs/dbraw/zinc/62/33/62/890623362.db2.gz QWXLWOCEQFQIEF-QMMMGPOBSA-N 0 3 295.299 -1.033 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](NC(=O)c1cocn1)C1CC1 ZINC001422991035 890623424 /nfs/dbraw/zinc/62/34/24/890623424.db2.gz QWXLWOCEQFQIEF-MRVPVSSYSA-N 0 3 295.299 -1.033 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)CNC(=O)OC ZINC001423036620 890623440 /nfs/dbraw/zinc/62/34/40/890623440.db2.gz BHDXSTIPGSUIPW-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ncn(C)n1)NCC(=O)NC(N)=O ZINC001423045243 890623474 /nfs/dbraw/zinc/62/34/74/890623474.db2.gz PZGMSPJMWGZMRF-ZETCQYMHSA-N 0 3 297.319 -1.940 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001423006416 890623526 /nfs/dbraw/zinc/62/35/26/890623526.db2.gz IFMNPFBUMONKIW-IONNQARKSA-N 0 3 295.347 -1.557 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001423006406 890623624 /nfs/dbraw/zinc/62/36/24/890623624.db2.gz IFMNPFBUMONKIW-APPZFPTMSA-N 0 3 295.347 -1.557 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncnn1)N[C@@H]1CCN(C)C1=O ZINC001423053119 890623826 /nfs/dbraw/zinc/62/38/26/890623826.db2.gz PTEYPKSPAAYYLR-NXEZZACHSA-N 0 3 295.347 -1.660 20 0 CAADHN C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001423080352 890627521 /nfs/dbraw/zinc/62/75/21/890627521.db2.gz QTNPXTKLEFXFDB-IUCAKERBSA-N 0 3 293.389 -1.269 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)N[C@@H]2CCNC2=O)C1 ZINC001423062700 890624014 /nfs/dbraw/zinc/62/40/14/890624014.db2.gz LMIGBBKQSTZFHK-BXKDBHETSA-N 0 3 296.371 -1.210 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001423018881 890624118 /nfs/dbraw/zinc/62/41/18/890624118.db2.gz IIYKTEYGRXWCII-VWYCJHECSA-N 0 3 296.371 -1.320 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001423006420 890624158 /nfs/dbraw/zinc/62/41/58/890624158.db2.gz IFMNPFBUMONKIW-VXNVDRBHSA-N 0 3 295.347 -1.557 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001422983170 890624218 /nfs/dbraw/zinc/62/42/18/890624218.db2.gz DTEXJRAJJAKMGY-SCZZXKLOSA-N 0 3 299.375 -1.384 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)NCCF ZINC001423102534 890626998 /nfs/dbraw/zinc/62/69/98/890626998.db2.gz UUYVZYYDEMREHO-SNVBAGLBSA-N 0 3 274.340 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)NCC(N)=O ZINC001423079517 890627018 /nfs/dbraw/zinc/62/70/18/890627018.db2.gz QXQQOTTZEBWMOA-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CCN1CCCC1=O)C1CC1 ZINC001423063937 890627465 /nfs/dbraw/zinc/62/74/65/890627465.db2.gz RTZLRVHJPDRWPS-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001423112636 890628645 /nfs/dbraw/zinc/62/86/45/890628645.db2.gz VASAJFLXYIXUKV-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cncn1)NCC(=O)N1CCC1 ZINC001423161767 890628943 /nfs/dbraw/zinc/62/89/43/890628943.db2.gz AKAFWLQNBUMSLC-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001423160973 890629650 /nfs/dbraw/zinc/62/96/50/890629650.db2.gz BCDHPBWJKNOSTM-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)NCC(N)=O ZINC001423145872 890629948 /nfs/dbraw/zinc/62/99/48/890629948.db2.gz JNRHJQUOZXWWAX-VHSXEESVSA-N 0 3 299.375 -1.159 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001423139067 890630281 /nfs/dbraw/zinc/63/02/81/890630281.db2.gz GHTXZCRJSNSJQQ-SCZZXKLOSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001423139075 890630669 /nfs/dbraw/zinc/63/06/69/890630669.db2.gz GHTXZCRJSNSJQQ-WPRPVWTQSA-N 0 3 272.349 -1.177 20 0 CAADHN COCC(=O)NCC1(NCCN(C)S(C)(=O)=O)CC1 ZINC001423169151 890633159 /nfs/dbraw/zinc/63/31/59/890633159.db2.gz JDULVJWDPNKODH-UHFFFAOYSA-N 0 3 293.389 -1.237 20 0 CAADHN CC[C@@H](NC1(CNC(=O)CNC(C)=O)CC1)C(N)=O ZINC001423162189 890633486 /nfs/dbraw/zinc/63/34/86/890633486.db2.gz RDQMUEDKUNLSQN-SECBINFHSA-N 0 3 270.333 -1.375 20 0 CAADHN COCC(=O)NC[C@@H](CO)NC[C@@H]1CCS(=O)(=O)C1 ZINC001423187867 890635554 /nfs/dbraw/zinc/63/55/54/890635554.db2.gz VHEKSJCJNSPZJL-UWVGGRQHSA-N 0 3 294.373 -1.866 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](CO)NCCn2cncn2)co1 ZINC001423210608 890643397 /nfs/dbraw/zinc/64/33/97/890643397.db2.gz MVAJIRPXDOBGPU-JTQLQIEISA-N 0 3 294.315 -1.045 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](CO)NCCn1nc(C)nc1C ZINC001423214654 890645912 /nfs/dbraw/zinc/64/59/12/890645912.db2.gz WKIGYGOBJDDTEA-JOYOIKCWSA-N 0 3 299.375 -1.003 20 0 CAADHN CN(C)C1(C(=O)NC[C@H](CO)NCC(N)=O)CCC1 ZINC001423229536 890648455 /nfs/dbraw/zinc/64/84/55/890648455.db2.gz HWJRDRYEVRBUJU-SECBINFHSA-N 0 3 272.349 -1.977 20 0 CAADHN CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001423224980 890648953 /nfs/dbraw/zinc/64/89/53/890648953.db2.gz IHSOBZHSVOBKIW-DTWKUNHWSA-N 0 3 284.316 -1.103 20 0 CAADHN CN(C)C1(C(=O)NC[C@@H](CO)NCC(N)=O)CCC1 ZINC001423229543 890649384 /nfs/dbraw/zinc/64/93/84/890649384.db2.gz HWJRDRYEVRBUJU-VIFPVBQESA-N 0 3 272.349 -1.977 20 0 CAADHN O=C(CCc1c[nH]cn1)NC[C@@H](CO)N[C@@H]1CCNC1=O ZINC001423246591 890651842 /nfs/dbraw/zinc/65/18/42/890651842.db2.gz XWVTYBNQWCJGII-WDEREUQCSA-N 0 3 295.343 -1.703 20 0 CAADHN O=C(CCc1cnc[nH]1)NC[C@@H](CO)N[C@@H]1CCNC1=O ZINC001423246591 890651852 /nfs/dbraw/zinc/65/18/52/890651852.db2.gz XWVTYBNQWCJGII-WDEREUQCSA-N 0 3 295.343 -1.703 20 0 CAADHN O=C(C[C@H]1CCS(=O)(=O)C1)NC[C@H](CO)NCCO ZINC001423241874 890652607 /nfs/dbraw/zinc/65/26/07/890652607.db2.gz IUQUNSKWGUVKPT-NXEZZACHSA-N 0 3 294.373 -2.130 20 0 CAADHN O=C(NC[C@@H](CO)NCCC(F)(F)F)[C@@H]1CNC(=O)N1 ZINC001423256384 890654319 /nfs/dbraw/zinc/65/43/19/890654319.db2.gz KLMBWIFLKCDENF-BQBZGAKWSA-N 0 3 298.265 -1.313 20 0 CAADHN O=C(NC[C@H](CO)NCCC(F)(F)F)[C@H]1CNC(=O)N1 ZINC001423256395 890654583 /nfs/dbraw/zinc/65/45/83/890654583.db2.gz KLMBWIFLKCDENF-RNFRBKRXSA-N 0 3 298.265 -1.313 20 0 CAADHN CC[C@H](NC1(CNC(=O)c2c[nH]c(=O)cn2)CC1)C(N)=O ZINC001423261646 890657904 /nfs/dbraw/zinc/65/79/04/890657904.db2.gz VJSSWYGPLAZWHZ-QMMMGPOBSA-N 0 3 293.327 -1.114 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001423277819 890660716 /nfs/dbraw/zinc/66/07/16/890660716.db2.gz ATENVCHCDFQRCL-UTLUCORTSA-N 0 3 294.355 -1.375 20 0 CAADHN C[C@@H](NC1(CNC(=O)CCN2CCOCC2)CC1)C(N)=O ZINC001423288298 890661236 /nfs/dbraw/zinc/66/12/36/890661236.db2.gz OMCJWFIJARMPDC-LLVKDONJSA-N 0 3 298.387 -1.179 20 0 CAADHN O=C(NCC1(N[C@H]2CCCNC2=O)CC1)[C@@H]1CCC(=O)N1 ZINC001423295567 890661593 /nfs/dbraw/zinc/66/15/93/890661593.db2.gz XKWVAMCSYYARAJ-UWVGGRQHSA-N 0 3 294.355 -1.218 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](CO)NCCn2cncn2)n1 ZINC001423304990 890664703 /nfs/dbraw/zinc/66/47/03/890664703.db2.gz NJVJRAIANAGTAM-JTQLQIEISA-N 0 3 293.331 -1.608 20 0 CAADHN NC(=O)NC(=O)CNC1(CNC(=O)CN2CCCC2)CC1 ZINC001423304255 890664805 /nfs/dbraw/zinc/66/48/05/890664805.db2.gz TYPQORDHEPXIAH-UHFFFAOYSA-N 0 3 297.359 -1.485 20 0 CAADHN O=C(NC[C@H](CO)NCCO)[C@H]1CCCS1(=O)=O ZINC001423299863 890665358 /nfs/dbraw/zinc/66/53/58/890665358.db2.gz JZCCEVHQRCKMFM-RKDXNWHRSA-N 0 3 280.346 -2.377 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001423333022 890666341 /nfs/dbraw/zinc/66/63/41/890666341.db2.gz NOQAHKVULSEHSK-PSASIEDQSA-N 0 3 294.359 -1.019 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C ZINC001423346013 890666934 /nfs/dbraw/zinc/66/69/34/890666934.db2.gz REWHILRIRYDQEH-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CNC(=O)C2CC2)C1 ZINC001423335161 890667215 /nfs/dbraw/zinc/66/72/15/890667215.db2.gz KOUGRDGKVWFGPD-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)C2CC2)C1 ZINC001423335164 890667850 /nfs/dbraw/zinc/66/78/50/890667850.db2.gz KOUGRDGKVWFGPD-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN CN(C)c1ncc(CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)n1C ZINC001423327966 890667897 /nfs/dbraw/zinc/66/78/97/890667897.db2.gz DAMQMOMPRNISQC-AOOOYVTPSA-N 0 3 294.359 -1.495 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CS(C)(=O)=O)C1 ZINC001423338320 890667992 /nfs/dbraw/zinc/66/79/92/890667992.db2.gz OCIZXSXVTOCEEI-DTWKUNHWSA-N 0 3 291.373 -1.644 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C ZINC001423346015 890668201 /nfs/dbraw/zinc/66/82/01/890668201.db2.gz REWHILRIRYDQEH-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001423333684 890668452 /nfs/dbraw/zinc/66/84/52/890668452.db2.gz OGJBPEWTPJQVPL-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001423333024 890668607 /nfs/dbraw/zinc/66/86/07/890668607.db2.gz NOQAHKVULSEHSK-SCZZXKLOSA-N 0 3 294.359 -1.019 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)C(F)F ZINC001423399981 890669919 /nfs/dbraw/zinc/66/99/19/890669919.db2.gz BJFNIUDUSHIJAW-YFKPBYRVSA-N 0 3 282.247 -2.145 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)on1 ZINC001423412367 890670034 /nfs/dbraw/zinc/67/00/34/890670034.db2.gz GQGUQIPIPHGFDB-DTWKUNHWSA-N 0 3 284.316 -1.121 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)on1 ZINC001423412376 890670054 /nfs/dbraw/zinc/67/00/54/890670054.db2.gz GQGUQIPIPHGFDB-RKDXNWHRSA-N 0 3 284.316 -1.121 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001423426336 890670472 /nfs/dbraw/zinc/67/04/72/890670472.db2.gz FDWODPWIYRMIJR-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](N[C@@H](C)C(N)=O)C(C)(C)C1 ZINC001423400182 890670902 /nfs/dbraw/zinc/67/09/02/890670902.db2.gz UZFGZBIHDSTHJL-DTWKUNHWSA-N 0 3 299.375 -1.384 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](O)CN(C)C(C)=O ZINC001423399807 890671024 /nfs/dbraw/zinc/67/10/24/890671024.db2.gz AISHEPUATKEOOM-VIFPVBQESA-N 0 3 274.321 -1.739 20 0 CAADHN CNC(=O)C[NH2+][C@H]1CN(C(=O)c2nc[n-]n2)CC1(C)C ZINC001423401304 890671091 /nfs/dbraw/zinc/67/10/91/890671091.db2.gz LCYBWTXZSSNJDK-QMMMGPOBSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2nc[nH]n2)CC1(C)C ZINC001423401304 890671099 /nfs/dbraw/zinc/67/10/99/890671099.db2.gz LCYBWTXZSSNJDK-QMMMGPOBSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H](N[C@H](C)C(N)=O)C(C)(C)C1 ZINC001423400179 890671290 /nfs/dbraw/zinc/67/12/90/890671290.db2.gz UZFGZBIHDSTHJL-BDAKNGLRSA-N 0 3 299.375 -1.384 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001423417442 890671638 /nfs/dbraw/zinc/67/16/38/890671638.db2.gz RCLXPSPVXQPVLH-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)on1 ZINC001423412363 890671805 /nfs/dbraw/zinc/67/18/05/890671805.db2.gz GQGUQIPIPHGFDB-BDAKNGLRSA-N 0 3 284.316 -1.121 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCCO1 ZINC001423417439 890671950 /nfs/dbraw/zinc/67/19/50/890671950.db2.gz RCLXPSPVXQPVLH-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1COC(=O)N1 ZINC001423442255 890673212 /nfs/dbraw/zinc/67/32/12/890673212.db2.gz MDWXCDCZVRHROZ-RNFRBKRXSA-N 0 3 274.277 -3.011 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CN[C@@H]1CCCNC1=O ZINC001423426828 890673226 /nfs/dbraw/zinc/67/32/26/890673226.db2.gz GRIWMPFTURNXRX-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1COC(=O)N1 ZINC001423442252 890673513 /nfs/dbraw/zinc/67/35/13/890673513.db2.gz MDWXCDCZVRHROZ-NKWVEPMBSA-N 0 3 274.277 -3.011 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnnn1C ZINC001423448222 890673520 /nfs/dbraw/zinc/67/35/20/890673520.db2.gz ZAPWUWDTWGCLEF-IUCAKERBSA-N 0 3 296.331 -2.274 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001423429021 890673561 /nfs/dbraw/zinc/67/35/61/890673561.db2.gz FLCFUDZSRDPSDV-GXSJLCMTSA-N 0 3 297.359 -1.504 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001423431128 890673741 /nfs/dbraw/zinc/67/37/41/890673741.db2.gz USSCTKFVRPVNNC-SCZZXKLOSA-N 0 3 283.332 -1.433 20 0 CAADHN Cc1cn(C)nc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001423445358 890673760 /nfs/dbraw/zinc/67/37/60/890673760.db2.gz PTZSUOSUNQIDLZ-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001423442243 890674866 /nfs/dbraw/zinc/67/48/66/890674866.db2.gz INKTYWPGABFQJH-QMMMGPOBSA-N 0 3 285.308 -3.172 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CN[C@H]1CCCNC1=O ZINC001423426834 890675003 /nfs/dbraw/zinc/67/50/03/890675003.db2.gz GRIWMPFTURNXRX-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001423452479 890675080 /nfs/dbraw/zinc/67/50/80/890675080.db2.gz GTJFATJAXNPPKH-BDAKNGLRSA-N 0 3 284.316 -1.579 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1nnn(C)n1 ZINC001423452019 890675100 /nfs/dbraw/zinc/67/51/00/890675100.db2.gz DVEVMLLTCLEAEW-ZCFIWIBFSA-N 0 3 271.281 -3.282 20 0 CAADHN Cc1cnn(CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)c1 ZINC001423428641 890675198 /nfs/dbraw/zinc/67/51/98/890675198.db2.gz OAFGIRYQBIMXCG-MNOVXSKESA-N 0 3 297.359 -1.526 20 0 CAADHN Cc1ncc(CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)o1 ZINC001423462703 890676064 /nfs/dbraw/zinc/67/60/64/890676064.db2.gz KZCINSYPYZYPPX-WCBMZHEXSA-N 0 3 298.343 -1.192 20 0 CAADHN Cc1nocc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001423454942 890676126 /nfs/dbraw/zinc/67/61/26/890676126.db2.gz NTUQATQJVHQEEL-BDAKNGLRSA-N 0 3 284.316 -1.121 20 0 CAADHN CN(C[C@H](O)CNCc1cnon1)C(=O)Cc1c[nH]cn1 ZINC001423472030 890676154 /nfs/dbraw/zinc/67/61/54/890676154.db2.gz XJDATLUUMZSUMQ-LLVKDONJSA-N 0 3 294.315 -1.056 20 0 CAADHN C[C@H](C(=O)N1CCC[C@@H]1CNCC(N)=O)S(C)(=O)=O ZINC001423474908 890676236 /nfs/dbraw/zinc/67/62/36/890676236.db2.gz YWILOKLBOJDTAZ-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001423456899 890676284 /nfs/dbraw/zinc/67/62/84/890676284.db2.gz QSLLLQKDTMZDIE-CABZTGNLSA-N 0 3 291.323 -1.730 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)n1C ZINC001423457918 890676306 /nfs/dbraw/zinc/67/63/06/890676306.db2.gz SUMIPIYTYGNJNT-PSASIEDQSA-N 0 3 297.359 -1.375 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H](C)NC(N)=O ZINC001423453454 890676498 /nfs/dbraw/zinc/67/64/98/890676498.db2.gz IWWPBSUHOPQOBL-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCn1ccc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001423467647 890676554 /nfs/dbraw/zinc/67/65/54/890676554.db2.gz MVQCGIFLFVEQPL-ZJUUUORDSA-N 0 3 297.359 -1.201 20 0 CAADHN Cc1nnccc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001423469017 890676634 /nfs/dbraw/zinc/67/66/34/890676634.db2.gz SVEZOOCOHKWHQM-SECBINFHSA-N 0 3 281.316 -1.707 20 0 CAADHN CCn1ccc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001423467644 890676942 /nfs/dbraw/zinc/67/69/42/890676942.db2.gz MVQCGIFLFVEQPL-NXEZZACHSA-N 0 3 297.359 -1.201 20 0 CAADHN C[C@H](C(=O)N1CCC[C@H]1CNCC(N)=O)n1cncn1 ZINC001423454519 890677002 /nfs/dbraw/zinc/67/70/02/890677002.db2.gz KUNXSDIAFFFXTP-ZJUUUORDSA-N 0 3 280.332 -1.095 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001423459408 890677104 /nfs/dbraw/zinc/67/71/04/890677104.db2.gz AGALXXKWDNCWRB-KKOKHZNYSA-N 0 3 299.371 -1.291 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@]1(F)CCOC1 ZINC001423456896 890677468 /nfs/dbraw/zinc/67/74/68/890677468.db2.gz QSLLLQKDTMZDIE-BXKDBHETSA-N 0 3 291.323 -1.730 20 0 CAADHN CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)c1 ZINC001423454486 890677555 /nfs/dbraw/zinc/67/75/55/890677555.db2.gz IUUCHTJCNVXJDH-JTQLQIEISA-N 0 3 297.359 -1.028 20 0 CAADHN Cc1nocc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001423454951 890677572 /nfs/dbraw/zinc/67/75/72/890677572.db2.gz NTUQATQJVHQEEL-RKDXNWHRSA-N 0 3 284.316 -1.121 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001423456598 890677607 /nfs/dbraw/zinc/67/76/07/890677607.db2.gz PDOXZOCLXHSKED-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNCC(N)=O)c1 ZINC001423454512 890677723 /nfs/dbraw/zinc/67/77/23/890677723.db2.gz IUUCHTJCNVXJDH-SNVBAGLBSA-N 0 3 297.359 -1.028 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCCNC1=O)C(=O)c1cnco1 ZINC001423455238 890677964 /nfs/dbraw/zinc/67/79/64/890677964.db2.gz BCTDRDKTARHNBS-ZJUUUORDSA-N 0 3 296.327 -1.024 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1csnn1 ZINC001423461449 890678009 /nfs/dbraw/zinc/67/80/09/890678009.db2.gz IASQVCNWIRUXGB-HTQZYQBOSA-N 0 3 299.356 -1.551 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnco1 ZINC001423461246 890678027 /nfs/dbraw/zinc/67/80/27/890678027.db2.gz HMXBWFFSPRKLNV-MRVPVSSYSA-N 0 3 270.289 -1.557 20 0 CAADHN C[C@H](CC(=O)N(C)C[C@H](O)CNCC(N)=O)n1ccnc1 ZINC001423465562 890678075 /nfs/dbraw/zinc/67/80/75/890678075.db2.gz KCOSKQSIIIIXSU-GHMZBOCLSA-N 0 3 297.359 -1.272 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCCNC1=O)C(=O)c1cnco1 ZINC001423455230 890678140 /nfs/dbraw/zinc/67/81/40/890678140.db2.gz BCTDRDKTARHNBS-UWVGGRQHSA-N 0 3 296.327 -1.024 20 0 CAADHN C[C@@H](C(=O)N1CCC[C@H]1CNCC(N)=O)S(C)(=O)=O ZINC001423474904 890678176 /nfs/dbraw/zinc/67/81/76/890678176.db2.gz YWILOKLBOJDTAZ-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)n1C ZINC001423457951 890678186 /nfs/dbraw/zinc/67/81/86/890678186.db2.gz SUMIPIYTYGNJNT-WPRPVWTQSA-N 0 3 297.359 -1.375 20 0 CAADHN Cc1ncc(CC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)o1 ZINC001423462691 890678486 /nfs/dbraw/zinc/67/84/86/890678486.db2.gz KZCINSYPYZYPPX-PSASIEDQSA-N 0 3 298.343 -1.192 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@]1(C)CCCOC1 ZINC001423483599 890679725 /nfs/dbraw/zinc/67/97/25/890679725.db2.gz QLCXWBVHYOOSDH-ZWNOBZJWSA-N 0 3 287.360 -1.303 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001423509902 890679997 /nfs/dbraw/zinc/67/99/97/890679997.db2.gz ZZYPZRUKMFARFU-NSHDSACASA-N 0 3 285.348 -1.588 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001423487449 890680026 /nfs/dbraw/zinc/68/00/26/890680026.db2.gz PZCUPLJSGOULMW-IUCAKERBSA-N 0 3 296.331 -2.274 20 0 CAADHN Cc1nccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001423495007 890680188 /nfs/dbraw/zinc/68/01/88/890680188.db2.gz LKHAMXLLBYDDLY-VIFPVBQESA-N 0 3 281.316 -1.707 20 0 CAADHN Cc1nccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001423495003 890680722 /nfs/dbraw/zinc/68/07/22/890680722.db2.gz LKHAMXLLBYDDLY-SECBINFHSA-N 0 3 281.316 -1.707 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC001423479661 890681050 /nfs/dbraw/zinc/68/10/50/890681050.db2.gz ZOEDMWRIKDCMEV-VIFPVBQESA-N 0 3 293.327 -1.207 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001423506719 890681087 /nfs/dbraw/zinc/68/10/87/890681087.db2.gz UXPHPEDVPORLKQ-LBPRGKRZSA-N 0 3 284.360 -1.294 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1[nH]cnc1C ZINC001423494846 890681534 /nfs/dbraw/zinc/68/15/34/890681534.db2.gz ZJIUPGGKFLTEOC-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@]1(C)CCCOC1 ZINC001423483569 890682209 /nfs/dbraw/zinc/68/22/09/890682209.db2.gz QLCXWBVHYOOSDH-GWCFXTLKSA-N 0 3 287.360 -1.303 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001423491220 890682045 /nfs/dbraw/zinc/68/20/45/890682045.db2.gz XENYDYFNEITMKY-SECBINFHSA-N 0 3 288.348 -2.205 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1[nH]cnc1C ZINC001423494844 890682191 /nfs/dbraw/zinc/68/21/91/890682191.db2.gz ZJIUPGGKFLTEOC-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CNCC(N)=O)C1CCCC1 ZINC001423528926 890685103 /nfs/dbraw/zinc/68/51/03/890685103.db2.gz PIQAQXWHUFJOEV-NSHDSACASA-N 0 3 284.360 -1.128 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)Cn1cnnn1 ZINC001423592154 890686646 /nfs/dbraw/zinc/68/66/46/890686646.db2.gz KQHYTAPHQWBWTK-QMMMGPOBSA-N 0 3 283.336 -1.721 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1CNC(=O)N1)C(C)(C)C ZINC001423621681 890688589 /nfs/dbraw/zinc/68/85/89/890688589.db2.gz MNEXPLJYOQKAAM-RKDXNWHRSA-N 0 3 299.375 -1.466 20 0 CAADHN O=C(NCC1(NCCF)CCOCC1)[C@@H]1CNC(=O)N1 ZINC001423718750 890688842 /nfs/dbraw/zinc/68/88/42/890688842.db2.gz JPBWYCQFGJQRKS-VIFPVBQESA-N 0 3 288.323 -1.108 20 0 CAADHN Cn1cc(C(=O)NCC2(NCC(N)=O)CCOCC2)cn1 ZINC001423710850 890689057 /nfs/dbraw/zinc/68/90/57/890689057.db2.gz BJYYUWZVZVRHGD-UHFFFAOYSA-N 0 3 295.343 -1.226 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@H](CNCC(N)=O)C(C)(C)C ZINC001423604025 890689931 /nfs/dbraw/zinc/68/99/31/890689931.db2.gz XVNBUBDSWFUUCI-JGVFFNPUSA-N 0 3 287.364 -1.351 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1CNC(=O)N1)C(C)(C)C ZINC001423621674 890690124 /nfs/dbraw/zinc/69/01/24/890690124.db2.gz MNEXPLJYOQKAAM-BDAKNGLRSA-N 0 3 299.375 -1.466 20 0 CAADHN Cn1cnc(C(=O)NC[C@]2(O)CCN(CCO)C2)cc1=O ZINC001423759561 890691628 /nfs/dbraw/zinc/69/16/28/890691628.db2.gz NWNJXRKABCFBSJ-CYBMUJFWSA-N 0 3 296.327 -2.061 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001423745324 890692955 /nfs/dbraw/zinc/69/29/55/890692955.db2.gz VELUDJHWZQBBHD-AAEUAGOBSA-N 0 3 287.360 -2.138 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001423798098 890696657 /nfs/dbraw/zinc/69/66/57/890696657.db2.gz FDERRJAAZGQJJQ-SNVBAGLBSA-N 0 3 295.361 -2.919 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@](O)(CNC(=O)CN2CCCC2)C1 ZINC001423802549 890697680 /nfs/dbraw/zinc/69/76/80/890697680.db2.gz ROELEGYEELETCJ-BXUZGUMPSA-N 0 3 298.387 -1.491 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001423786071 890698066 /nfs/dbraw/zinc/69/80/66/890698066.db2.gz DAAOMWPGRCLYRO-OCCSQVGLSA-N 0 3 299.371 -1.457 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001423801648 890698161 /nfs/dbraw/zinc/69/81/61/890698161.db2.gz XBJVVBDUUNJHSZ-FZMZJTMJSA-N 0 3 299.371 -1.457 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001423779833 890699384 /nfs/dbraw/zinc/69/93/84/890699384.db2.gz WOSBHDZBMXDOCM-YZDFOLFKSA-N 0 3 296.367 -1.045 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@](O)(CNC(=O)CN2CCCC2)C1 ZINC001423802550 890699535 /nfs/dbraw/zinc/69/95/35/890699535.db2.gz ROELEGYEELETCJ-FZMZJTMJSA-N 0 3 298.387 -1.491 20 0 CAADHN CC(C)[C@@H](C(=O)NCC1(O)CN(CC(N)=O)C1)N(C)C ZINC001423836258 890703847 /nfs/dbraw/zinc/70/38/47/890703847.db2.gz XAIAWHROCCVIBV-NSHDSACASA-N 0 3 286.376 -1.779 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001424779622 890743109 /nfs/dbraw/zinc/74/31/09/890743109.db2.gz OBXIBRXVSSWHFR-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@H](C)N(C)CCO ZINC001424952756 890747949 /nfs/dbraw/zinc/74/79/49/890747949.db2.gz VFFDFVWODNGOSB-UWVGGRQHSA-N 0 3 295.405 -1.257 20 0 CAADHN CN1C[C@@H]2CN(S(=O)(=O)N3CCN(C)CC3)C[C@@H]2C1 ZINC001423998612 890714122 /nfs/dbraw/zinc/71/41/22/890714122.db2.gz FKXKJGUHJNVNHP-TXEJJXNPSA-N 0 3 288.417 -1.028 20 0 CAADHN CCCN(C)CC(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1 ZINC001423913395 890716239 /nfs/dbraw/zinc/71/62/39/890716239.db2.gz ADHXDRRRIYHJLK-JTQLQIEISA-N 0 3 286.376 -1.635 20 0 CAADHN CCCN(C)CC(=O)NCC1(O)CN(CCCO)C1 ZINC001423921751 890716951 /nfs/dbraw/zinc/71/69/51/890716951.db2.gz WLDNMPDDSMTSNC-UHFFFAOYSA-N 0 3 273.377 -1.127 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)C1=CCOCC1 ZINC001424042660 890717704 /nfs/dbraw/zinc/71/77/04/890717704.db2.gz ANMVBUFDXZRAQJ-NSHDSACASA-N 0 3 299.371 -1.122 20 0 CAADHN O=C([C@@H]1CCOC1)N(CCO)CCN[C@H]1CCCNC1=O ZINC001424072631 890717853 /nfs/dbraw/zinc/71/78/53/890717853.db2.gz SUYXWKMPBHEWES-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1ncn(C)n1 ZINC001424051691 890717903 /nfs/dbraw/zinc/71/79/03/890717903.db2.gz SDGGDDPEDLGGPV-VIFPVBQESA-N 0 3 298.347 -2.026 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ncccn1)C(N)=O ZINC001424057370 890718154 /nfs/dbraw/zinc/71/81/54/890718154.db2.gz YTNWKIQQRNUCBZ-VIFPVBQESA-N 0 3 281.316 -1.626 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1c[nH]c(C)n1 ZINC001424075414 890718233 /nfs/dbraw/zinc/71/82/33/890718233.db2.gz ZGNDFKWLDPLNCM-VIFPVBQESA-N 0 3 297.359 -1.123 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ncccn1)C(N)=O ZINC001424057367 890718346 /nfs/dbraw/zinc/71/83/46/890718346.db2.gz YTNWKIQQRNUCBZ-SECBINFHSA-N 0 3 281.316 -1.626 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cccnn1)C(N)=O ZINC001424049042 890718677 /nfs/dbraw/zinc/71/86/77/890718677.db2.gz JNBQDKSQAUKPMD-VIFPVBQESA-N 0 3 281.316 -1.626 20 0 CAADHN O=C(Cc1cc[nH]n1)N(CCO)CCN[C@H]1CCNC1=O ZINC001424059396 890718776 /nfs/dbraw/zinc/71/87/76/890718776.db2.gz AJSIEOFTCFGKGS-NSHDSACASA-N 0 3 295.343 -1.749 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cnn(C)n1)C(N)=O ZINC001424057956 890718983 /nfs/dbraw/zinc/71/89/83/890718983.db2.gz ZQEOVNHUQUSOOC-MRVPVSSYSA-N 0 3 284.320 -2.287 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1ncn(C)n1 ZINC001424051688 890719401 /nfs/dbraw/zinc/71/94/01/890719401.db2.gz SDGGDDPEDLGGPV-SECBINFHSA-N 0 3 298.347 -2.026 20 0 CAADHN O=C([C@H]1CCOC1)N(CCO)CCN[C@H]1CCCNC1=O ZINC001424072646 890719427 /nfs/dbraw/zinc/71/94/27/890719427.db2.gz SUYXWKMPBHEWES-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(c1ncc[nH]1)N(CCO)CCN[C@H]1CCNC1=O ZINC001424044006 890720849 /nfs/dbraw/zinc/72/08/49/890720849.db2.gz CSNNEZYVQDEOJN-VIFPVBQESA-N 0 3 281.316 -1.678 20 0 CAADHN CNC(=O)CNC1(CNC(=O)c2cn(C)nn2)CCC1 ZINC001424162198 890721569 /nfs/dbraw/zinc/72/15/69/890721569.db2.gz MBZRBUMCTGGQMT-UHFFFAOYSA-N 0 3 280.332 -1.197 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)CC(C)(C)O)CCO1)C(N)=O ZINC001424215167 890721684 /nfs/dbraw/zinc/72/16/84/890721684.db2.gz DAARUHKFGAXORQ-ZJUUUORDSA-N 0 3 287.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H](O)C(C)C)CCO1 ZINC001424221289 890721818 /nfs/dbraw/zinc/72/18/18/890721818.db2.gz QCLHFZGOGGVDMV-ZYHUDNBSSA-N 0 3 287.360 -1.434 20 0 CAADHN Cc1cc(CC(=O)N2CCO[C@@H](CNCC(N)=O)C2)no1 ZINC001424221642 890722253 /nfs/dbraw/zinc/72/22/53/890722253.db2.gz OSZZRRDZVOVJGW-NSHDSACASA-N 0 3 296.327 -1.172 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2COCCO2)CCC1 ZINC001424154841 890722354 /nfs/dbraw/zinc/72/23/54/890722354.db2.gz XZZJQBLHNKIGAX-SNVBAGLBSA-N 0 3 285.344 -1.224 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CCC1 ZINC001424197407 890722475 /nfs/dbraw/zinc/72/24/75/890722475.db2.gz YOKJAPRXVCJGJP-ZJUUUORDSA-N 0 3 296.371 -1.128 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2COCCO2)CCC1 ZINC001424154834 890723683 /nfs/dbraw/zinc/72/36/83/890723683.db2.gz XZZJQBLHNKIGAX-JTQLQIEISA-N 0 3 285.344 -1.224 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2c[nH]c(C)n2)CCO1 ZINC001424220871 890723131 /nfs/dbraw/zinc/72/31/31/890723131.db2.gz MWFZHCSKLLGWQU-SNVBAGLBSA-N 0 3 295.343 -1.105 20 0 CAADHN NC(=O)CNC1(CNC(=O)CN2CCCNC2=O)CCC1 ZINC001424179255 890723346 /nfs/dbraw/zinc/72/33/46/890723346.db2.gz DBMAAJWABHULNW-UHFFFAOYSA-N 0 3 297.359 -1.485 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cnccn2)CCO1)C(N)=O ZINC001424223880 890723649 /nfs/dbraw/zinc/72/36/49/890723649.db2.gz FZUOUWGDMRIZKE-ZJUUUORDSA-N 0 3 293.327 -1.219 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)[nH]n1 ZINC001424224933 890723751 /nfs/dbraw/zinc/72/37/51/890723751.db2.gz WLOOELXELRSOKL-VIFPVBQESA-N 0 3 281.316 -1.366 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)n[nH]1 ZINC001424224933 890723757 /nfs/dbraw/zinc/72/37/57/890723757.db2.gz WLOOELXELRSOKL-VIFPVBQESA-N 0 3 281.316 -1.366 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)COCC(F)F)CCO1 ZINC001424233454 890725267 /nfs/dbraw/zinc/72/52/67/890725267.db2.gz CQZCKDHBZFYVGS-MRVPVSSYSA-N 0 3 295.286 -1.430 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2)CCO1 ZINC001424238641 890725441 /nfs/dbraw/zinc/72/54/41/890725441.db2.gz BHPOOHLCSUDTIT-NXEZZACHSA-N 0 3 298.343 -2.043 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CCC(=O)N2)CCO1 ZINC001424233344 890725493 /nfs/dbraw/zinc/72/54/93/890725493.db2.gz XDUNFGCIZJHWLL-ZJUUUORDSA-N 0 3 298.343 -2.043 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2cnoc2)CCO1 ZINC001424234908 890725784 /nfs/dbraw/zinc/72/57/84/890725784.db2.gz FLNYSCDKKXGCAB-SNVBAGLBSA-N 0 3 282.300 -1.481 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001424252343 890727274 /nfs/dbraw/zinc/72/72/74/890727274.db2.gz ZPAQIVLIWDKIBO-MRVPVSSYSA-N 0 3 282.304 -1.971 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2csnn2)CCO1)C(N)=O ZINC001424234593 890726824 /nfs/dbraw/zinc/72/68/24/890726824.db2.gz DPUXQTRZBGTFRC-YUMQZZPRSA-N 0 3 299.356 -1.158 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2cnoc2)CCO1 ZINC001424234905 890726906 /nfs/dbraw/zinc/72/69/06/890726906.db2.gz FLNYSCDKKXGCAB-JTQLQIEISA-N 0 3 282.300 -1.481 20 0 CAADHN Cn1c(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)c[nH]c1=O ZINC001424248515 890727593 /nfs/dbraw/zinc/72/75/93/890727593.db2.gz VDCUNRFIYZVTCS-QMMMGPOBSA-N 0 3 297.315 -1.958 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2n[nH]nc2C)CCO1 ZINC001424252317 890727644 /nfs/dbraw/zinc/72/76/44/890727644.db2.gz ZJSHAFRPKFSNOA-SECBINFHSA-N 0 3 296.331 -1.710 20 0 CAADHN CNC(=O)C[N@H+](C)CCCN(C)C(=O)Cc1nnc[n-]1 ZINC001424331567 890729555 /nfs/dbraw/zinc/72/95/55/890729555.db2.gz NVWWOOOMYDJHRR-UHFFFAOYSA-N 0 3 282.348 -1.127 20 0 CAADHN CNC(=O)C[N@@H+](C)CCCN(C)C(=O)Cc1nnc[n-]1 ZINC001424331567 890729561 /nfs/dbraw/zinc/72/95/61/890729561.db2.gz NVWWOOOMYDJHRR-UHFFFAOYSA-N 0 3 282.348 -1.127 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001424474351 890732523 /nfs/dbraw/zinc/73/25/23/890732523.db2.gz HTGAKJWVXRTRDC-DTWKUNHWSA-N 0 3 281.320 -2.144 20 0 CAADHN C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1NCC(=O)N(C)C ZINC001424461881 890732930 /nfs/dbraw/zinc/73/29/30/890732930.db2.gz DKINGYNODMGIHH-UWVGGRQHSA-N 0 3 294.359 -1.047 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CN(C)C(C)=O)C[C@@H]1C ZINC001424485324 890732959 /nfs/dbraw/zinc/73/29/59/890732959.db2.gz NTUDOSLFUNLJOM-ONGXEEELSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@H]1CN(C(=O)C(F)F)C[C@H]1NCC(=O)NC(N)=O ZINC001424451946 890733460 /nfs/dbraw/zinc/73/34/60/890733460.db2.gz CFZPRDXLYGMFEQ-NTSWFWBYSA-N 0 3 278.259 -1.117 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001424442655 890733976 /nfs/dbraw/zinc/73/39/76/890733976.db2.gz FZVVNWGARSKHFI-KXUCPTDWSA-N 0 3 299.375 -1.242 20 0 CAADHN NC(=O)NC(=O)CNCC1(NC(=O)C2CC2)CCOCC1 ZINC001424409848 890734102 /nfs/dbraw/zinc/73/41/02/890734102.db2.gz CLGCLHMRKCQKFS-UHFFFAOYSA-N 0 3 298.343 -1.154 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001424474346 890734233 /nfs/dbraw/zinc/73/42/33/890734233.db2.gz HTGAKJWVXRTRDC-BDAKNGLRSA-N 0 3 281.320 -2.144 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001424482620 890734727 /nfs/dbraw/zinc/73/47/27/890734727.db2.gz KDNVALHHGKMULM-SFYZADRCSA-N 0 3 292.361 -2.543 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(=O)NC2CC2)[C@@H](C)C1 ZINC001424489458 890734770 /nfs/dbraw/zinc/73/47/70/890734770.db2.gz RZURWUUPCBQYQC-CABZTGNLSA-N 0 3 296.371 -1.162 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC001424489201 890735006 /nfs/dbraw/zinc/73/50/06/890735006.db2.gz YBWWRIFADJEGCX-UWVGGRQHSA-N 0 3 299.375 -1.512 20 0 CAADHN C[C@H]1CN(C(=O)C(F)F)C[C@@H]1NCC(=O)NC(N)=O ZINC001424451950 890735027 /nfs/dbraw/zinc/73/50/27/890735027.db2.gz CFZPRDXLYGMFEQ-WDSKDSINSA-N 0 3 278.259 -1.117 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](NCC(=O)NC2CC2)C1 ZINC001424489463 890735157 /nfs/dbraw/zinc/73/51/57/890735157.db2.gz RZURWUUPCBQYQC-JOYOIKCWSA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC001424542991 890737421 /nfs/dbraw/zinc/73/74/21/890737421.db2.gz CVMAONDQXCVYAC-NSHDSACASA-N 0 3 299.371 -1.159 20 0 CAADHN Cc1nonc1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001424530214 890737744 /nfs/dbraw/zinc/73/77/44/890737744.db2.gz MYOFHAXDEQGDJN-UHFFFAOYSA-N 0 3 297.315 -1.580 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@@H]1COCCO1 ZINC001424639404 890739174 /nfs/dbraw/zinc/73/91/74/890739174.db2.gz MWMXGDKTEPPIEF-NSHDSACASA-N 0 3 288.344 -1.663 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@H]1CN[C@@H]1CCNC1=O ZINC001424670402 890741497 /nfs/dbraw/zinc/74/14/97/890741497.db2.gz MZDXOTKVTQKVOP-NWDGAFQWSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NC(=O)c1ncn(C)n1)[C@H](C)NCC(=O)N(C)C ZINC001424769178 890742679 /nfs/dbraw/zinc/74/26/79/890742679.db2.gz YDNPCEJMZOCGIY-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001424779625 890743496 /nfs/dbraw/zinc/74/34/96/890743496.db2.gz OBXIBRXVSSWHFR-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001424785012 890743693 /nfs/dbraw/zinc/74/36/93/890743693.db2.gz XXTJABLQGPAQMP-DTWKUNHWSA-N 0 3 295.343 -1.377 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001424785015 890743745 /nfs/dbraw/zinc/74/37/45/890743745.db2.gz XXTJABLQGPAQMP-IUCAKERBSA-N 0 3 295.343 -1.377 20 0 CAADHN C[C@@H](NC(=O)CN1CCOCC1)[C@H](C)NCC(N)=O ZINC001424788879 890743898 /nfs/dbraw/zinc/74/38/98/890743898.db2.gz UOKZMKHAKYRKAJ-VHSXEESVSA-N 0 3 272.349 -1.713 20 0 CAADHN C[C@@H](NCCF)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001424809424 890743951 /nfs/dbraw/zinc/74/39/51/890743951.db2.gz DCYCKHMPTGEQIJ-ZJUUUORDSA-N 0 3 274.340 -1.130 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001424763738 890744202 /nfs/dbraw/zinc/74/42/02/890744202.db2.gz GNLMSYOSEXCQBD-IUCAKERBSA-N 0 3 284.360 -1.259 20 0 CAADHN C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)Cn1cncn1 ZINC001424847589 890744324 /nfs/dbraw/zinc/74/43/24/890744324.db2.gz GHQLTKGKQWYFMQ-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001424769927 890744725 /nfs/dbraw/zinc/74/47/25/890744725.db2.gz YXNDAYXLZFUUHB-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)Cn1ccccc1=O ZINC001424851454 890744860 /nfs/dbraw/zinc/74/48/60/890744860.db2.gz JSRJQUIBAVEZMO-NXEZZACHSA-N 0 3 280.328 -1.184 20 0 CAADHN C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)NCCF ZINC001424809390 890745666 /nfs/dbraw/zinc/74/56/66/890745666.db2.gz DCYCKHMPTGEQIJ-VHSXEESVSA-N 0 3 274.340 -1.130 20 0 CAADHN C[C@@H](NC(=O)Cn1ccccc1=O)[C@H](C)NCC(N)=O ZINC001424851465 890745748 /nfs/dbraw/zinc/74/57/48/890745748.db2.gz JSRJQUIBAVEZMO-VHSXEESVSA-N 0 3 280.328 -1.184 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](C)N(C)CCO ZINC001424952762 890747431 /nfs/dbraw/zinc/74/74/31/890747431.db2.gz VFFDFVWODNGOSB-ZJUUUORDSA-N 0 3 295.405 -1.257 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H](C)N(C)CCO ZINC001424952755 890747917 /nfs/dbraw/zinc/74/79/17/890747917.db2.gz VFFDFVWODNGOSB-NXEZZACHSA-N 0 3 295.405 -1.257 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)C1CN(C[C@H](C)O)C1 ZINC001425232177 890757855 /nfs/dbraw/zinc/75/78/55/890757855.db2.gz QSBCUGBJQKQKFL-IUCAKERBSA-N 0 3 272.349 -1.267 20 0 CAADHN CCN1CC([C@H](C)NC(=O)CNS(=O)(=O)NC)C1 ZINC001425247759 890760246 /nfs/dbraw/zinc/76/02/46/890760246.db2.gz WGWLJCOEDDYUBS-QMMMGPOBSA-N 0 3 278.378 -1.503 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2csnn2)CCO1 ZINC001425357744 890771136 /nfs/dbraw/zinc/77/11/36/890771136.db2.gz KAAUAJFSMDBOFA-VXNVDRBHSA-N 0 3 299.356 -1.158 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001425363031 890773294 /nfs/dbraw/zinc/77/32/94/890773294.db2.gz OYPLKKNUCVZLCO-KOLCDFICSA-N 0 3 295.343 -1.357 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnns2)CCO1 ZINC001425361383 890773489 /nfs/dbraw/zinc/77/34/89/890773489.db2.gz LFBGSMLGZOALSW-SFYZADRCSA-N 0 3 299.356 -1.158 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001425363037 890774584 /nfs/dbraw/zinc/77/45/84/890774584.db2.gz OYPLKKNUCVZLCO-MWLCHTKSSA-N 0 3 295.343 -1.357 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnns2)CCO1 ZINC001425361391 890774875 /nfs/dbraw/zinc/77/48/75/890774875.db2.gz LFBGSMLGZOALSW-YUMQZZPRSA-N 0 3 299.356 -1.158 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnns2)CCO1 ZINC001425361374 890775034 /nfs/dbraw/zinc/77/50/34/890775034.db2.gz LFBGSMLGZOALSW-HTQZYQBOSA-N 0 3 299.356 -1.158 20 0 CAADHN CN(C(=O)Cn1cnnn1)[C@H](CNCC(N)=O)C1CC1 ZINC001425475569 890782950 /nfs/dbraw/zinc/78/29/50/890782950.db2.gz YAABKTNDUNPJIA-SECBINFHSA-N 0 3 281.320 -2.015 20 0 CAADHN CN(C(=O)CN1CCOCC1)[C@H](CNCC(N)=O)C1CC1 ZINC001425479480 890783597 /nfs/dbraw/zinc/78/35/97/890783597.db2.gz VXILTGJUGJGFOA-GFCCVEGCSA-N 0 3 298.387 -1.370 20 0 CAADHN CCN(CC)CC(=O)N[C@H](CO)CNC(=O)c1cnon1 ZINC001425479936 890784218 /nfs/dbraw/zinc/78/42/18/890784218.db2.gz AZHMHAWBHVMSSG-VIFPVBQESA-N 0 3 299.331 -1.382 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnn(C)c1N)N[C@H]1CCNC1=O ZINC001425536208 890785697 /nfs/dbraw/zinc/78/56/97/890785697.db2.gz CFBHGBWTAJRZAJ-SCZZXKLOSA-N 0 3 294.359 -1.059 20 0 CAADHN CN(C(=O)C[C@@H]1CCC(=O)N1)[C@H](CNCC(N)=O)C1CC1 ZINC001425512163 890785985 /nfs/dbraw/zinc/78/59/85/890785985.db2.gz UODFYEWPYDJLKI-WDEREUQCSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CNC(=O)OC ZINC001425531375 890786427 /nfs/dbraw/zinc/78/64/27/890786427.db2.gz MLTBSVZIROCYEQ-BDAKNGLRSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CNC(=O)OC ZINC001425531376 890786510 /nfs/dbraw/zinc/78/65/10/890786510.db2.gz MLTBSVZIROCYEQ-DTWKUNHWSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)COC ZINC001425512902 890786727 /nfs/dbraw/zinc/78/67/27/890786727.db2.gz XSJNPPQLOHUQIO-BDAKNGLRSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001425529038 890787733 /nfs/dbraw/zinc/78/77/33/890787733.db2.gz XTRVOINNAXWJSD-WDEREUQCSA-N 0 3 296.371 -1.162 20 0 CAADHN COCC(=O)N(C)C[C@@H](C)NCC(=O)N1CCOCC1 ZINC001425508905 890788013 /nfs/dbraw/zinc/78/80/13/890788013.db2.gz MLJDOWKGKWURHX-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN COC[C@@H](C)C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O ZINC001425548948 890788681 /nfs/dbraw/zinc/78/86/81/890788681.db2.gz QSFDVRZNYNAKSI-BDAKNGLRSA-N 0 3 288.348 -1.100 20 0 CAADHN COC[C@H](C)C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001425548953 890789117 /nfs/dbraw/zinc/78/91/17/890789117.db2.gz QSFDVRZNYNAKSI-DTWKUNHWSA-N 0 3 288.348 -1.100 20 0 CAADHN COC[C@@H](C)C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001425548965 890789201 /nfs/dbraw/zinc/78/92/01/890789201.db2.gz QSFDVRZNYNAKSI-RKDXNWHRSA-N 0 3 288.348 -1.100 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)nn1)NCC(=O)NC(N)=O ZINC001425549810 890789241 /nfs/dbraw/zinc/78/92/41/890789241.db2.gz AGEGKPXFKGRIQV-SSDOTTSWSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccc2nnnn2c1)NCC(N)=O ZINC001425605358 890789858 /nfs/dbraw/zinc/78/98/58/890789858.db2.gz PLVRHJZICIDREM-QMMMGPOBSA-N 0 3 291.315 -1.340 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)CCn1cnnn1 ZINC001425673363 890790031 /nfs/dbraw/zinc/79/00/31/890790031.db2.gz SGPLQBFPAQEAGT-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN COc1cc(C(=O)N(C)C[C@@H](C)NCC(N)=O)nn1C ZINC001425603973 890790064 /nfs/dbraw/zinc/79/00/64/890790064.db2.gz NYBRAHWZAWFOIL-MRVPVSSYSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@H](CN(C)C(=O)c1nnn(C)n1)N[C@H]1CCNC1=O ZINC001425601686 890790878 /nfs/dbraw/zinc/79/08/78/890790878.db2.gz NNNJUURHMYMZQD-SFYZADRCSA-N 0 3 281.320 -1.851 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)NCC(N)=O ZINC001425612875 890791148 /nfs/dbraw/zinc/79/11/48/890791148.db2.gz LHPGTIZBPNMBAA-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)ccc1=O)NCC(N)=O ZINC001425612365 890791172 /nfs/dbraw/zinc/79/11/72/890791172.db2.gz YXXGWYHZERZCDR-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN C[C@@H](CN(C)C(=O)CCCn1cncn1)NCC(N)=O ZINC001425659800 890791243 /nfs/dbraw/zinc/79/12/43/890791243.db2.gz LMAOUEVGDOYLCW-JTQLQIEISA-N 0 3 282.348 -1.020 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)NC ZINC001425566137 890791297 /nfs/dbraw/zinc/79/12/97/890791297.db2.gz VBMKRBAXUHLYRH-RKDXNWHRSA-N 0 3 287.364 -1.514 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nnn(C)n1)N[C@H]1CCCNC1=O ZINC001425606842 890791540 /nfs/dbraw/zinc/79/15/40/890791540.db2.gz ZIMNQNIIAQBXEI-IUCAKERBSA-N 0 3 295.347 -1.461 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001425635240 890791900 /nfs/dbraw/zinc/79/19/00/890791900.db2.gz VBHXGODHTLAQHO-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)NCC(N)=O ZINC001425612888 890792109 /nfs/dbraw/zinc/79/21/09/890792109.db2.gz LHPGTIZBPNMBAA-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)Cn1cncn1 ZINC001425691146 890792785 /nfs/dbraw/zinc/79/27/85/890792785.db2.gz SPAWPENLMHOWJC-VHSXEESVSA-N 0 3 282.348 -1.151 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CCn1cnnn1 ZINC001425673365 890793003 /nfs/dbraw/zinc/79/30/03/890793003.db2.gz SGPLQBFPAQEAGT-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)NCC(=O)NC(N)=O ZINC001425613958 890793640 /nfs/dbraw/zinc/79/36/40/890793640.db2.gz BKIHJCMYYHZCAH-REIXXSIJSA-N 0 3 298.343 -1.490 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)CCn1cnnn1 ZINC001425654811 890793661 /nfs/dbraw/zinc/79/36/61/890793661.db2.gz ALHBRGGNTZEQRF-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CN1CCC[C@H]1C(=O)NC[C@H](CO)NCC(=O)NC1CC1 ZINC001425708623 890795116 /nfs/dbraw/zinc/79/51/16/890795116.db2.gz GLIAKTBTLBQNCT-NEPJUHHUSA-N 0 3 298.387 -1.574 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)C1CC1 ZINC001425708886 890796101 /nfs/dbraw/zinc/79/61/01/890796101.db2.gz CBEGCTMOKXZZRC-SNVBAGLBSA-N 0 3 270.333 -1.512 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001425713012 890796633 /nfs/dbraw/zinc/79/66/33/890796633.db2.gz NRVOEMJQFWCWQB-KOLCDFICSA-N 0 3 298.347 -2.131 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)NCC(N)=O ZINC001425704529 890797007 /nfs/dbraw/zinc/79/70/07/890797007.db2.gz WIJSAEPFNTUGHR-VHSXEESVSA-N 0 3 294.359 -1.238 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCc2nncn2C1)NCC(N)=O ZINC001425704524 890797094 /nfs/dbraw/zinc/79/70/94/890797094.db2.gz WIJSAEPFNTUGHR-NXEZZACHSA-N 0 3 294.359 -1.238 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@H]1CCCO1 ZINC001425714650 890799273 /nfs/dbraw/zinc/79/92/73/890799273.db2.gz QGNMTLWEXVOOAJ-WDEREUQCSA-N 0 3 283.332 -1.476 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@@H]1CCCO1 ZINC001425714643 890799583 /nfs/dbraw/zinc/79/95/83/890799583.db2.gz QGNMTLWEXVOOAJ-QWRGUYRKSA-N 0 3 283.332 -1.476 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)c1cocn1 ZINC001425717523 890799672 /nfs/dbraw/zinc/79/96/72/890799672.db2.gz XJLZQEAXZJZYAB-SECBINFHSA-N 0 3 297.315 -1.620 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@H]1CCCO1 ZINC001425714631 890800684 /nfs/dbraw/zinc/80/06/84/890800684.db2.gz QGNMTLWEXVOOAJ-GHMZBOCLSA-N 0 3 283.332 -1.476 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001425722927 890802729 /nfs/dbraw/zinc/80/27/29/890802729.db2.gz NSEDKBQQPAORLD-VHSXEESVSA-N 0 3 271.321 -1.620 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001425722925 890803237 /nfs/dbraw/zinc/80/32/37/890803237.db2.gz NSEDKBQQPAORLD-NXEZZACHSA-N 0 3 271.321 -1.620 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)CCc1c[nH]cn1 ZINC001425752281 890809659 /nfs/dbraw/zinc/80/96/59/890809659.db2.gz DGTJHQXEIWMTSU-MWLCHTKSSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)CCc1cnc[nH]1 ZINC001425752281 890809680 /nfs/dbraw/zinc/80/96/80/890809680.db2.gz DGTJHQXEIWMTSU-MWLCHTKSSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)CCc1c[nH]cn1 ZINC001425752273 890809962 /nfs/dbraw/zinc/80/99/62/890809962.db2.gz DGTJHQXEIWMTSU-GXSJLCMTSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)CCc1cnc[nH]1 ZINC001425752273 890809981 /nfs/dbraw/zinc/80/99/81/890809981.db2.gz DGTJHQXEIWMTSU-GXSJLCMTSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)CCc1c[nH]cn1 ZINC001425752283 890812013 /nfs/dbraw/zinc/81/20/13/890812013.db2.gz DGTJHQXEIWMTSU-ONGXEEELSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)CCc1cnc[nH]1 ZINC001425752283 890812026 /nfs/dbraw/zinc/81/20/26/890812026.db2.gz DGTJHQXEIWMTSU-ONGXEEELSA-N 0 3 297.359 -1.457 20 0 CAADHN CN(CC(=O)NC[C@H](CO)NCC(N)=O)C1CCC1 ZINC001425756347 890814906 /nfs/dbraw/zinc/81/49/06/890814906.db2.gz WSOVVJSALLNTLJ-SECBINFHSA-N 0 3 272.349 -1.977 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)[C@H]1CCCCN1C ZINC001425772751 890816724 /nfs/dbraw/zinc/81/67/24/890816724.db2.gz RQJUCMRACHLCFF-GHMZBOCLSA-N 0 3 286.376 -1.717 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)Cn1cncc1C ZINC001425788522 890816586 /nfs/dbraw/zinc/81/65/86/890816586.db2.gz UVZQENCRRVSXAZ-MNOVXSKESA-N 0 3 297.359 -1.607 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)Cn1cncc1C ZINC001425788529 890817407 /nfs/dbraw/zinc/81/74/07/890817407.db2.gz UVZQENCRRVSXAZ-WDEREUQCSA-N 0 3 297.359 -1.607 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001425799008 890822117 /nfs/dbraw/zinc/82/21/17/890822117.db2.gz UCZLZEJRKREIAJ-OUAUKWLOSA-N 0 3 284.360 -1.266 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NCc1ncnn1C)N(C)C ZINC001425795871 890822745 /nfs/dbraw/zinc/82/27/45/890822745.db2.gz CCTUUZAPLFXOIR-MNOVXSKESA-N 0 3 298.391 -1.278 20 0 CAADHN Cn1cc(CN[C@H](CO)CNC(=O)Cc2cnc[nH]2)nn1 ZINC001425818062 890823815 /nfs/dbraw/zinc/82/38/15/890823815.db2.gz GOZOLXFMKGNKNO-NSHDSACASA-N 0 3 293.331 -1.652 20 0 CAADHN Cc1nnsc1CN[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001425820472 890824409 /nfs/dbraw/zinc/82/44/09/890824409.db2.gz UBWXHQYZBMAELY-SSDOTTSWSA-N 0 3 297.344 -1.155 20 0 CAADHN Cc1nnsc1CN[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001425820472 890824423 /nfs/dbraw/zinc/82/44/23/890824423.db2.gz UBWXHQYZBMAELY-SSDOTTSWSA-N 0 3 297.344 -1.155 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](CO)NCCn2cncn2)n1 ZINC001425822769 890824456 /nfs/dbraw/zinc/82/44/56/890824456.db2.gz OYDHGGOPZODBAR-SNVBAGLBSA-N 0 3 293.331 -1.310 20 0 CAADHN Cc1nnsc1CN[C@H](CO)CNC(=O)c1ncn[nH]1 ZINC001425820473 890824571 /nfs/dbraw/zinc/82/45/71/890824571.db2.gz UBWXHQYZBMAELY-ZETCQYMHSA-N 0 3 297.344 -1.155 20 0 CAADHN Cc1nnsc1CN[C@H](CO)CNC(=O)c1nc[nH]n1 ZINC001425820473 890824582 /nfs/dbraw/zinc/82/45/82/890824582.db2.gz UBWXHQYZBMAELY-ZETCQYMHSA-N 0 3 297.344 -1.155 20 0 CAADHN Cn1ccnc1CN[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001425817622 890825156 /nfs/dbraw/zinc/82/51/56/890825156.db2.gz QMJYBIMFSMIRRW-MRVPVSSYSA-N 0 3 279.304 -1.581 20 0 CAADHN Cn1ccnc1CN[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001425817622 890825163 /nfs/dbraw/zinc/82/51/63/890825163.db2.gz QMJYBIMFSMIRRW-MRVPVSSYSA-N 0 3 279.304 -1.581 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cnccn1)C(N)=O ZINC001425965304 890835145 /nfs/dbraw/zinc/83/51/45/890835145.db2.gz DAPWNLGBDYFVTJ-IUCAKERBSA-N 0 3 281.316 -1.627 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC1(C)C ZINC001425937330 890835316 /nfs/dbraw/zinc/83/53/16/890835316.db2.gz GINNWEFSOGGJEK-ZJUUUORDSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC1(C)C ZINC001425937329 890835486 /nfs/dbraw/zinc/83/54/86/890835486.db2.gz GINNWEFSOGGJEK-NXEZZACHSA-N 0 3 296.371 -1.162 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001425944933 890835862 /nfs/dbraw/zinc/83/58/62/890835862.db2.gz JPGVWUAMKFDIIN-SNVBAGLBSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCn2cnnn2)C1 ZINC001425905602 890837461 /nfs/dbraw/zinc/83/74/61/890837461.db2.gz PBNLXXSKKXXFJT-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cccnc1 ZINC001425975416 890837692 /nfs/dbraw/zinc/83/76/92/890837692.db2.gz VYRXTEARESMGLJ-RYUDHWBXSA-N 0 3 292.339 -1.007 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(C)=O ZINC001425972484 890837765 /nfs/dbraw/zinc/83/77/65/890837765.db2.gz AYTKGOIOPQONLX-VXNVDRBHSA-N 0 3 274.321 -1.741 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnccn1 ZINC001425967856 890837793 /nfs/dbraw/zinc/83/77/93/890837793.db2.gz JCRLLIOEZWUEER-NXEZZACHSA-N 0 3 293.327 -1.612 20 0 CAADHN COCCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001425973682 890837816 /nfs/dbraw/zinc/83/78/16/890837816.db2.gz CVGCDCOQJFKYDZ-QWRGUYRKSA-N 0 3 289.376 -1.092 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1ccnn1C)C(N)=O ZINC001425985256 890838636 /nfs/dbraw/zinc/83/86/36/890838636.db2.gz ULCBYKQCRQKGFI-IUCAKERBSA-N 0 3 283.332 -1.684 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cc1cccnc1)C(N)=O ZINC001425989787 890838723 /nfs/dbraw/zinc/83/87/23/890838723.db2.gz XVSXTDLEDZSQGK-CMPLNLGQSA-N 0 3 294.355 -1.093 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cocn1 ZINC001425987125 890838792 /nfs/dbraw/zinc/83/87/92/890838792.db2.gz ZPHBUVHVJQIUPI-SECBINFHSA-N 0 3 284.316 -1.215 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1ccon1 ZINC001425990997 890839147 /nfs/dbraw/zinc/83/91/47/890839147.db2.gz UCFXDGZSZPDEEL-LLVKDONJSA-N 0 3 298.343 -1.238 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCCOC1 ZINC001425980676 890839202 /nfs/dbraw/zinc/83/92/02/890839202.db2.gz JJZWAVOXQMEVLR-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN COCCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001425979781 890839233 /nfs/dbraw/zinc/83/92/33/890839233.db2.gz LQDDKRSPXWKNGJ-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1cccnc1)C(N)=O ZINC001425989792 890839258 /nfs/dbraw/zinc/83/92/58/890839258.db2.gz XVSXTDLEDZSQGK-ZYHUDNBSSA-N 0 3 294.355 -1.093 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)ncn1 ZINC001425986512 890839569 /nfs/dbraw/zinc/83/95/69/890839569.db2.gz KYIDMTKQFVZQNY-VHSXEESVSA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCCOC1 ZINC001425980686 890839692 /nfs/dbraw/zinc/83/96/92/890839692.db2.gz JJZWAVOXQMEVLR-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccnn1C)C(N)=O ZINC001425985257 890839709 /nfs/dbraw/zinc/83/97/09/890839709.db2.gz ULCBYKQCRQKGFI-RKDXNWHRSA-N 0 3 283.332 -1.684 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CN(C)C(=O)C(F)F ZINC001425976765 890839733 /nfs/dbraw/zinc/83/97/33/890839733.db2.gz IBERCMYMJCSZAE-LURJTMIESA-N 0 3 296.274 -1.884 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)C1=COCCC1)C(N)=O ZINC001425980215 890839908 /nfs/dbraw/zinc/83/99/08/890839908.db2.gz ITUDKEYWPJUJGP-MWLCHTKSSA-N 0 3 285.344 -1.037 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C1=COCCC1 ZINC001425986196 890840573 /nfs/dbraw/zinc/84/05/73/890840573.db2.gz XRCFYVDDPXJBAZ-LLVKDONJSA-N 0 3 285.344 -1.164 20 0 CAADHN Cc1nnccc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001425994854 890840205 /nfs/dbraw/zinc/84/02/05/890840205.db2.gz GMRRHOLJBBCSFR-ZJUUUORDSA-N 0 3 295.343 -1.319 20 0 CAADHN CC(=O)N(C)C[C@H](O)CNCC(=O)NC(=O)NC1CC1 ZINC001425986926 890840412 /nfs/dbraw/zinc/84/04/12/890840412.db2.gz ZDAVTIZDNGLXGF-SNVBAGLBSA-N 0 3 286.332 -1.597 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001425979503 890840486 /nfs/dbraw/zinc/84/04/86/890840486.db2.gz HCVJMMMBYLLHFV-BDAKNGLRSA-N 0 3 299.335 -2.784 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCCOC1 ZINC001425980692 890840659 /nfs/dbraw/zinc/84/06/59/890840659.db2.gz JJZWAVOXQMEVLR-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN CCn1nccc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001425991158 890840686 /nfs/dbraw/zinc/84/06/86/890840686.db2.gz AXLRIYDJAYXJOV-VHSXEESVSA-N 0 3 297.359 -1.201 20 0 CAADHN COCCC(=O)N(C)C[C@H](O)CN[C@H]1CCCNC1=O ZINC001425979779 890840785 /nfs/dbraw/zinc/84/07/85/890840785.db2.gz LQDDKRSPXWKNGJ-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1nnccc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001425994842 890840862 /nfs/dbraw/zinc/84/08/62/890840862.db2.gz GMRRHOLJBBCSFR-UWVGGRQHSA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001425979514 890840970 /nfs/dbraw/zinc/84/09/70/890840970.db2.gz HCVJMMMBYLLHFV-RKDXNWHRSA-N 0 3 299.335 -2.784 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1ccoc1 ZINC001425999859 890841057 /nfs/dbraw/zinc/84/10/57/890841057.db2.gz MBEHWGWDRQIATP-LLVKDONJSA-N 0 3 283.328 -1.023 20 0 CAADHN CCc1c(C(=O)N(C)C[C@@H](O)CNCC(N)=O)cnn1C ZINC001425997685 890841082 /nfs/dbraw/zinc/84/10/82/890841082.db2.gz LOCDGTAMKSCTCE-VIFPVBQESA-N 0 3 297.359 -1.510 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1ccoc1 ZINC001425999863 890841101 /nfs/dbraw/zinc/84/11/01/890841101.db2.gz MBEHWGWDRQIATP-NSHDSACASA-N 0 3 283.328 -1.023 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)ncn1 ZINC001425986507 890841157 /nfs/dbraw/zinc/84/11/57/890841157.db2.gz KYIDMTKQFVZQNY-NXEZZACHSA-N 0 3 295.343 -1.319 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@@H](O)CNCC(=O)NC)cn1 ZINC001425991152 890841465 /nfs/dbraw/zinc/84/14/65/890841465.db2.gz UUHWKOQNHRLSLO-NSHDSACASA-N 0 3 297.359 -1.329 20 0 CAADHN Cc1[nH]nc(C(=O)N(C)C[C@H](O)CNCC(N)=O)c1C ZINC001425982876 890841513 /nfs/dbraw/zinc/84/15/13/890841513.db2.gz CBOHDMZWEAMPLE-SECBINFHSA-N 0 3 283.332 -1.466 20 0 CAADHN Cc1nnccc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001425994795 890841599 /nfs/dbraw/zinc/84/15/99/890841599.db2.gz GMRRHOLJBBCSFR-NXEZZACHSA-N 0 3 295.343 -1.319 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)n1cncn1 ZINC001425996028 890841869 /nfs/dbraw/zinc/84/18/69/890841869.db2.gz HQYIVTDTYVUFBN-DTWKUNHWSA-N 0 3 284.320 -2.267 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CC(F)(F)F ZINC001425986264 890842170 /nfs/dbraw/zinc/84/21/70/890842170.db2.gz XSVNGIOSTMFXNG-ZCFIWIBFSA-N 0 3 271.239 -1.167 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1)C(N)=O ZINC001425980905 890842193 /nfs/dbraw/zinc/84/21/93/890842193.db2.gz JZYWXFNAVDUFOZ-MWLCHTKSSA-N 0 3 297.359 -1.755 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ncccc1F ZINC001426028033 890843015 /nfs/dbraw/zinc/84/30/15/890843015.db2.gz RUZWEBCRJQRRLT-MRVPVSSYSA-N 0 3 284.291 -1.272 20 0 CAADHN CO[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)C(C)C ZINC001426026954 890843035 /nfs/dbraw/zinc/84/30/35/890843035.db2.gz LIGBIXMICUCTNJ-MWLCHTKSSA-N 0 3 275.349 -1.448 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001426019077 890843119 /nfs/dbraw/zinc/84/31/19/890843119.db2.gz YYXYDRBIOQYISM-HTQZYQBOSA-N 0 3 299.335 -2.504 20 0 CAADHN C[C@@H](Cc1c[nH]cn1)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001426032429 890843284 /nfs/dbraw/zinc/84/32/84/890843284.db2.gz JRBUNSXUDHASQI-GXSJLCMTSA-N 0 3 297.359 -1.518 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001426020600 890843544 /nfs/dbraw/zinc/84/35/44/890843544.db2.gz CVOWKDLWIRPLLO-GCHJQGSQSA-N 0 3 297.355 -1.824 20 0 CAADHN CCn1ccnc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001426002779 890843913 /nfs/dbraw/zinc/84/39/13/890843913.db2.gz IMAASLFMRZKXNV-SECBINFHSA-N 0 3 283.332 -1.589 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001426011015 890843998 /nfs/dbraw/zinc/84/39/98/890843998.db2.gz DRXHHDZOURTVET-BQBZGAKWSA-N 0 3 285.308 -2.894 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001426011020 890844124 /nfs/dbraw/zinc/84/41/24/890844124.db2.gz DRXHHDZOURTVET-RNFRBKRXSA-N 0 3 285.308 -2.894 20 0 CAADHN CO[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)C(C)C ZINC001426026953 890844189 /nfs/dbraw/zinc/84/41/89/890844189.db2.gz LIGBIXMICUCTNJ-KOLCDFICSA-N 0 3 275.349 -1.448 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001426029666 890844510 /nfs/dbraw/zinc/84/45/10/890844510.db2.gz FDUILLCHNDJTQR-IUCAKERBSA-N 0 3 283.332 -1.386 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCn1cccc1 ZINC001426023378 890844621 /nfs/dbraw/zinc/84/46/21/890844621.db2.gz IIPBDWKSWNSQKG-LLVKDONJSA-N 0 3 282.344 -1.228 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nn(C)cc1C ZINC001426013673 890844638 /nfs/dbraw/zinc/84/46/38/890844638.db2.gz SORRZDPOXMJRRC-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN CCc1oncc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001426031172 890844770 /nfs/dbraw/zinc/84/47/70/890844770.db2.gz IKNIQVLFMWXEML-MRVPVSSYSA-N 0 3 284.316 -1.255 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnnn1C)C(N)=O ZINC001426012026 890844991 /nfs/dbraw/zinc/84/49/91/890844991.db2.gz SILGMANGMSIUOI-HTQZYQBOSA-N 0 3 284.320 -2.289 20 0 CAADHN CCn1ccnc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001426002782 890845019 /nfs/dbraw/zinc/84/50/19/890845019.db2.gz IMAASLFMRZKXNV-VIFPVBQESA-N 0 3 283.332 -1.589 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001426019080 890845337 /nfs/dbraw/zinc/84/53/37/890845337.db2.gz YYXYDRBIOQYISM-YUMQZZPRSA-N 0 3 299.335 -2.504 20 0 CAADHN CC[C@H](F)CNC[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001426018728 890845618 /nfs/dbraw/zinc/84/56/18/890845618.db2.gz YNWQOEJXZOZWQR-DTWKUNHWSA-N 0 3 288.327 -1.019 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001426020605 890845758 /nfs/dbraw/zinc/84/57/58/890845758.db2.gz CVOWKDLWIRPLLO-HHHUOAJASA-N 0 3 297.355 -1.824 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001426025690 890846028 /nfs/dbraw/zinc/84/60/28/890846028.db2.gz LOTADMDSEYYAJN-MEWQQHAOSA-N 0 3 299.371 -1.576 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001426058888 890848366 /nfs/dbraw/zinc/84/83/66/890848366.db2.gz WELMDIYDAAPNLJ-QMMMGPOBSA-N 0 3 295.361 -2.685 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1[nH]cnc1C ZINC001426047948 890849673 /nfs/dbraw/zinc/84/96/73/890849673.db2.gz CXZMDDHYLQSROG-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001426060173 890850024 /nfs/dbraw/zinc/85/00/24/890850024.db2.gz UMURUJKBOMSPEA-NXEZZACHSA-N 0 3 295.343 -1.371 20 0 CAADHN CCc1nc[nH]c1C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001426050390 890850894 /nfs/dbraw/zinc/85/08/94/890850894.db2.gz UZNRCUHZONXJSI-VIFPVBQESA-N 0 3 297.359 -1.259 20 0 CAADHN COCCN(CCNC(=O)[C@@H]1CCC(=O)N1)C[C@H](C)O ZINC001426163857 890852050 /nfs/dbraw/zinc/85/20/50/890852050.db2.gz DQGWRDOBAZWALW-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CCn1nc(C)c(C(=O)N(C)C[C@@H](O)CN(C)CCO)n1 ZINC001426084086 890852564 /nfs/dbraw/zinc/85/25/64/890852564.db2.gz CNPAITKSITYOEZ-NSHDSACASA-N 0 3 299.375 -1.037 20 0 CAADHN CNS(=O)(=O)CC(=O)N(CCN(C)CCO)C(C)C ZINC001426130232 890853380 /nfs/dbraw/zinc/85/33/80/890853380.db2.gz UBGDFKDJJDXESM-UHFFFAOYSA-N 0 3 295.405 -1.303 20 0 CAADHN COCCN(CCNC(=O)c1cnnn1C)C[C@H](C)O ZINC001426171670 890855128 /nfs/dbraw/zinc/85/51/28/890855128.db2.gz ZXTUQLRXEPSHEP-JTQLQIEISA-N 0 3 285.348 -1.126 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)CCNC(N)=O ZINC001426145592 890855159 /nfs/dbraw/zinc/85/51/59/890855159.db2.gz HAUWEUPVUTYADI-QMMMGPOBSA-N 0 3 287.364 -1.349 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001426144538 890855737 /nfs/dbraw/zinc/85/57/37/890855737.db2.gz FIPSJROCUBSMCA-DTWKUNHWSA-N 0 3 284.360 -1.129 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1O ZINC001426507240 890858132 /nfs/dbraw/zinc/85/81/32/890858132.db2.gz MQCFZBWJQNTRHE-QJPTWQEYSA-N 0 3 299.371 -1.338 20 0 CAADHN CN1CC[C@](O)(CNC(=O)Nc2cnn(C)c(=O)c2)C1 ZINC001426354692 890858546 /nfs/dbraw/zinc/85/85/46/890858546.db2.gz WHOHENZRQFFVJW-LBPRGKRZSA-N 0 3 281.316 -1.032 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1O ZINC001426640115 890862316 /nfs/dbraw/zinc/86/23/16/890862316.db2.gz ZLPOOZPNSLFABN-MNOVXSKESA-N 0 3 287.360 -1.339 20 0 CAADHN CN(C)CCN(C)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC001427500566 890873614 /nfs/dbraw/zinc/87/36/14/890873614.db2.gz BEDCPIBBOMLQTA-QMMMGPOBSA-N 0 3 271.321 -1.180 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@@H]2CCCNC2=O)C1 ZINC001427681516 890876745 /nfs/dbraw/zinc/87/67/45/890876745.db2.gz FRGQHWOJTLMWRQ-GXFFZTMASA-N 0 3 284.360 -1.122 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@H]2CCCNC2=O)C1 ZINC001427681528 890876968 /nfs/dbraw/zinc/87/69/68/890876968.db2.gz FRGQHWOJTLMWRQ-ZWNOBZJWSA-N 0 3 284.360 -1.122 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@H]2CCCNC2=O)C1 ZINC001427681523 890878149 /nfs/dbraw/zinc/87/81/49/890878149.db2.gz FRGQHWOJTLMWRQ-MFKMUULPSA-N 0 3 284.360 -1.122 20 0 CAADHN CC[C@H](C(=O)N[C@H](CO)CNC(=O)[C@@H](C)OC)N(C)C ZINC001427755744 890885635 /nfs/dbraw/zinc/88/56/35/890885635.db2.gz CVOMSRIIVHPQBH-OUAUKWLOSA-N 0 3 289.376 -1.045 20 0 CAADHN CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c1ccn[nH]1)N(C)C ZINC001427765408 890888233 /nfs/dbraw/zinc/88/82/33/890888233.db2.gz CLEUZCZTMCMNTJ-MWLCHTKSSA-N 0 3 297.359 -1.043 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)c1ncc[nH]1 ZINC001427850990 890894346 /nfs/dbraw/zinc/89/43/46/890894346.db2.gz BVCPOEWJZRXFIN-SNVBAGLBSA-N 0 3 297.359 -1.043 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001428660001 890920861 /nfs/dbraw/zinc/92/08/61/890920861.db2.gz LMIWFYCSVKBCSU-VIFPVBQESA-N 0 3 297.363 -1.215 20 0 CAADHN CC[C@H](C(=O)N[C@@H](C)CNC(=O)Cn1ncnn1)N(C)C ZINC001428632822 890920952 /nfs/dbraw/zinc/92/09/52/890920952.db2.gz LOPBLNRUOKQDLW-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001428659998 890922485 /nfs/dbraw/zinc/92/24/85/890922485.db2.gz LMIWFYCSVKBCSU-SECBINFHSA-N 0 3 297.363 -1.215 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H](NC(=O)COC)[C@@H](O)C1 ZINC001428905527 890927398 /nfs/dbraw/zinc/92/73/98/890927398.db2.gz QVZGMFPKHVODAQ-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CNC(=O)NCC(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001429305965 890936765 /nfs/dbraw/zinc/93/67/65/890936765.db2.gz AAYGMLJEOGKXSY-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)CNC(N)=O)C1)N(C)C ZINC001430249264 890951181 /nfs/dbraw/zinc/95/11/81/890951181.db2.gz USFGOZQWRMSNLF-VIFPVBQESA-N 0 3 285.348 -1.678 20 0 CAADHN CC(=O)NCC(=O)NCC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001430315590 890951361 /nfs/dbraw/zinc/95/13/61/890951361.db2.gz LMQJHDDEJGIYGE-LBPRGKRZSA-N 0 3 296.371 -1.209 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001430701612 890959818 /nfs/dbraw/zinc/95/98/18/890959818.db2.gz BSLRRYPQMVJXSK-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)[C@H]1CCCN1C ZINC001431169177 890964463 /nfs/dbraw/zinc/96/44/63/890964463.db2.gz DEIKCBUYWFAFOW-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001431549713 890981414 /nfs/dbraw/zinc/98/14/14/890981414.db2.gz SMAJALUSZYICGC-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN CC(=O)NCC(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC001432183796 890993054 /nfs/dbraw/zinc/99/30/54/890993054.db2.gz DUNUYWMRBFCNNX-UHFFFAOYSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001432303488 891000750 /nfs/dbraw/zinc/00/07/50/891000750.db2.gz ATZDTFWUPISQPU-NSHDSACASA-N 0 3 296.371 -1.068 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001433263299 891023789 /nfs/dbraw/zinc/02/37/89/891023789.db2.gz ZWTFKSYYSBOJRS-UWVGGRQHSA-N 0 3 298.343 -1.111 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001433263307 891024000 /nfs/dbraw/zinc/02/40/00/891024000.db2.gz ZWTFKSYYSBOJRS-ZJUUUORDSA-N 0 3 298.343 -1.111 20 0 CAADHN CCN(CC)CC(=O)N[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001433416952 891029504 /nfs/dbraw/zinc/02/95/04/891029504.db2.gz NJILMPBCUGFLBV-SECBINFHSA-N 0 3 297.363 -1.214 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(NC(=O)CNC(N)=O)CC1 ZINC001433910047 891064129 /nfs/dbraw/zinc/06/41/29/891064129.db2.gz LKQHEIUDWKILIN-UHFFFAOYSA-N 0 3 299.375 -1.240 20 0 CAADHN Cc1cn2nc(C(=O)N[C@H](CO)CN(C)C)cc2c(=O)[nH]1 ZINC001433962536 891066362 /nfs/dbraw/zinc/06/63/62/891066362.db2.gz BWISYVWZFSKQIF-VIFPVBQESA-N 0 3 293.327 -1.017 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N[C@H](CO)CN(C)C ZINC001433967804 891068473 /nfs/dbraw/zinc/06/84/73/891068473.db2.gz KLXUFVXVMNWAFH-VIFPVBQESA-N 0 3 281.378 -1.693 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@]3(O)CCOC3)C2)CC1 ZINC001434008742 891070755 /nfs/dbraw/zinc/07/07/55/891070755.db2.gz DAFSCALPWRSHII-AWEZNQCLSA-N 0 3 283.372 -1.156 20 0 CAADHN CN1CCN(CC2CN(C(=O)C3(NC(N)=O)CC3)C2)CC1 ZINC001434013416 891071269 /nfs/dbraw/zinc/07/12/69/891071269.db2.gz SZLAIYYVARFLPG-UHFFFAOYSA-N 0 3 295.387 -1.107 20 0 CAADHN Nc1ncn(CC(=O)NC[C@@H]2CCCCN2CCO)n1 ZINC001434019003 891071376 /nfs/dbraw/zinc/07/13/76/891071376.db2.gz DAGBMNWOHXTELQ-JTQLQIEISA-N 0 3 282.348 -1.177 20 0 CAADHN CN1CCN(CC2CN(C(=O)CCNC(=O)CO)C2)CC1 ZINC001434010745 891071588 /nfs/dbraw/zinc/07/15/88/891071588.db2.gz LEXWZLJRTIPWJT-UHFFFAOYSA-N 0 3 298.387 -1.809 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@@]3(O)CCOC3)C2)CC1 ZINC001434008743 891071744 /nfs/dbraw/zinc/07/17/44/891071744.db2.gz DAFSCALPWRSHII-CQSZACIVSA-N 0 3 283.372 -1.156 20 0 CAADHN CN1CCN(CC2CN(C(=O)Cn3cnnn3)C2)CC1 ZINC001434014214 891072249 /nfs/dbraw/zinc/07/22/49/891072249.db2.gz XTKCCCBZDIUMRH-UHFFFAOYSA-N 0 3 279.348 -1.621 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cn1nnc(N)n1 ZINC001434164158 891084715 /nfs/dbraw/zinc/08/47/15/891084715.db2.gz CIQBFTRGWJCZEO-UHFFFAOYSA-N 0 3 298.351 -2.266 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434221895 891089940 /nfs/dbraw/zinc/08/99/40/891089940.db2.gz IXSYYUYPXOIZDV-RKDXNWHRSA-N 0 3 270.333 -1.628 20 0 CAADHN CN(C)c1nc(N)nc(C(=O)N(C)CCN(C)CCO)n1 ZINC001434231821 891091540 /nfs/dbraw/zinc/09/15/40/891091540.db2.gz VRGLREGEGFWXQR-UHFFFAOYSA-N 0 3 297.363 -1.484 20 0 CAADHN CNC(=O)NC(=O)CCNC1(C(N)=O)CCOCC1 ZINC001434479496 891119992 /nfs/dbraw/zinc/11/99/92/891119992.db2.gz SZGNXXODGDFRSC-UHFFFAOYSA-N 0 3 272.305 -1.544 20 0 CAADHN CC(C)N1CC[C@H](N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001434482576 891120216 /nfs/dbraw/zinc/12/02/16/891120216.db2.gz NRVDHLHHUHTOTL-AEJSXWLSSA-N 0 3 282.344 -1.486 20 0 CAADHN COCCN(C)CCNC(=O)N1C[C@H](O)[C@H](CO)C1 ZINC001434770490 891136052 /nfs/dbraw/zinc/13/60/52/891136052.db2.gz NAUPENQKIWFJSZ-QWRGUYRKSA-N 0 3 275.349 -1.441 20 0 CAADHN CCN1CCN(CCNC(=O)C2CS(=O)(=O)C2)CC1 ZINC001436712442 891154570 /nfs/dbraw/zinc/15/45/70/891154570.db2.gz RUUGWRYACGOGMV-UHFFFAOYSA-N 0 3 289.401 -1.215 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1cn(C)nn1)C1CC1 ZINC001436779407 891155689 /nfs/dbraw/zinc/15/56/89/891155689.db2.gz KAKLYSLXBMTYAK-SECBINFHSA-N 0 3 280.332 -1.341 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@H](NCC(=O)NC)C2)n1 ZINC001436865693 891156558 /nfs/dbraw/zinc/15/65/58/891156558.db2.gz GSAHVWIFOHIVMC-VIFPVBQESA-N 0 3 280.332 -1.152 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cn[nH]c2)C1)C(=O)NC(N)=O ZINC001436862725 891156604 /nfs/dbraw/zinc/15/66/04/891156604.db2.gz JPWSGMNSNBXXNT-APPZFPTMSA-N 0 3 294.315 -1.203 20 0 CAADHN CNC(=O)C[NH2+][C@@H](CNC(=O)CCc1nnc[n-]1)C1CC1 ZINC001436783505 891156631 /nfs/dbraw/zinc/15/66/31/891156631.db2.gz VIBQODOQFVFJGE-JTQLQIEISA-N 0 3 294.359 -1.032 20 0 CAADHN Cn1cncc1CC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001436823458 891157067 /nfs/dbraw/zinc/15/70/67/891157067.db2.gz CBNHIEPKTBLBAD-LLVKDONJSA-N 0 3 279.344 -1.068 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001436800735 891157180 /nfs/dbraw/zinc/15/71/80/891157180.db2.gz SKEQMRZJXYGHCY-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001436920309 891158496 /nfs/dbraw/zinc/15/84/96/891158496.db2.gz LSMGMEQLVWVNJI-KYZUINATSA-N 0 3 280.332 -1.280 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)c2cn[n-]n2)C1 ZINC001437016758 891160810 /nfs/dbraw/zinc/16/08/10/891160810.db2.gz YDQSPFFVHZAADZ-SECBINFHSA-N 0 3 280.332 -1.008 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)CCOC ZINC001437093164 891160837 /nfs/dbraw/zinc/16/08/37/891160837.db2.gz PSONHBWTQMNOMZ-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)NCC(=O)NCC(C)C ZINC001437099272 891161050 /nfs/dbraw/zinc/16/10/50/891161050.db2.gz SMDQNXLPXXIXHI-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)NCC(=O)N(C)C ZINC001437109908 891161061 /nfs/dbraw/zinc/16/10/61/891161061.db2.gz RIHKWJVVGKOTCL-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@H](CNC(=O)CCn1cncn1)NCC(=O)N(C)C ZINC001437113763 891161221 /nfs/dbraw/zinc/16/12/21/891161221.db2.gz XDVHSQKOYKYGIJ-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ccnn1C ZINC001437109866 891161673 /nfs/dbraw/zinc/16/16/73/891161673.db2.gz HYJRJMOAFFKQQF-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)CCOC ZINC001437093161 891161725 /nfs/dbraw/zinc/16/17/25/891161725.db2.gz PSONHBWTQMNOMZ-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cn1cccn1)C(=O)NC(N)=O ZINC001437107907 891161772 /nfs/dbraw/zinc/16/17/72/891161772.db2.gz KJHOJFQNARAFMJ-DTWKUNHWSA-N 0 3 296.331 -1.439 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)CNC(C)=O ZINC001437044490 891162424 /nfs/dbraw/zinc/16/24/24/891162424.db2.gz LGKRNRIZWSLOQW-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN CC(C)[C@@H](O)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001437067406 891163100 /nfs/dbraw/zinc/16/31/00/891163100.db2.gz JCVWUHWKYDEHLN-CSYMLDBXSA-N 0 3 281.356 -1.062 20 0 CAADHN COCC(=O)NC[C@H](C)NCCN(C)S(C)(=O)=O ZINC001437096274 891163113 /nfs/dbraw/zinc/16/31/13/891163113.db2.gz XQWDIINAUUJMTC-VIFPVBQESA-N 0 3 281.378 -1.382 20 0 CAADHN CCN1C[C@H](C(=O)NC[C@H](C)NCC(N)=O)CC1=O ZINC001437152623 891164007 /nfs/dbraw/zinc/16/40/07/891164007.db2.gz JJBJZEXIXUVFOL-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001437137243 891164217 /nfs/dbraw/zinc/16/42/17/891164217.db2.gz SPLRQTITOXGFPN-VIFPVBQESA-N 0 3 299.375 -1.322 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)[C@@H]2COC(=O)N2)n[nH]1 ZINC001437128740 891164328 /nfs/dbraw/zinc/16/43/28/891164328.db2.gz UTDYSTHFQVBEFJ-SVRRBLITSA-N 0 3 282.304 -1.184 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H](O)C(C)C ZINC001437121476 891164455 /nfs/dbraw/zinc/16/44/55/891164455.db2.gz GEUGFUXUUITHJY-WCBMZHEXSA-N 0 3 288.348 -1.447 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)N[C@H](C)C(=O)N(C)C ZINC001437139095 891164493 /nfs/dbraw/zinc/16/44/93/891164493.db2.gz YZELDBUZQOFWSU-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](CNC(=O)c1cnnn1C)N[C@H](C)C(=O)N(C)C ZINC001437119471 891164589 /nfs/dbraw/zinc/16/45/89/891164589.db2.gz BXSHLYWCXHJVOQ-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)NCC(=O)N(C)C ZINC001437150829 891164636 /nfs/dbraw/zinc/16/46/36/891164636.db2.gz QGDGXRGKKBAMIY-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccc2n[nH]nc2n1 ZINC001437155256 891164724 /nfs/dbraw/zinc/16/47/24/891164724.db2.gz XURRUQPZTIFVMR-ZETCQYMHSA-N 0 3 291.315 -1.193 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001437156918 891164769 /nfs/dbraw/zinc/16/47/69/891164769.db2.gz OTCVTTCPQYPYHA-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNC(=O)c1cnnn1C)N[C@@H](C)C(=O)N(C)C ZINC001437119460 891164784 /nfs/dbraw/zinc/16/47/84/891164784.db2.gz BXSHLYWCXHJVOQ-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCNC(=O)NC ZINC001437135602 891164908 /nfs/dbraw/zinc/16/49/08/891164908.db2.gz NIHZAEWRRGLBLA-QMMMGPOBSA-N 0 3 273.337 -1.854 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)CC(C)(C)O ZINC001437125650 891165000 /nfs/dbraw/zinc/16/50/00/891165000.db2.gz USCSOXNDPSAFKO-QMMMGPOBSA-N 0 3 288.348 -1.303 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)Cn1ncnn1 ZINC001437134727 891165012 /nfs/dbraw/zinc/16/50/12/891165012.db2.gz IUTGRVSUSNINHR-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN COC1CC(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)C1 ZINC001437155719 891165119 /nfs/dbraw/zinc/16/51/19/891165119.db2.gz XQGXISCNSFTAPO-UEJVZZJDSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@@H](CNC(=O)c1ccc2n[nH]nc2n1)NCC(N)=O ZINC001437155859 891165272 /nfs/dbraw/zinc/16/52/72/891165272.db2.gz YQPMBPFZIABIEY-LURJTMIESA-N 0 3 277.288 -1.454 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)Cn1cc(C2CC2)nn1 ZINC001437151937 891165316 /nfs/dbraw/zinc/16/53/16/891165316.db2.gz WMPXAXNIUOAAMF-VIFPVBQESA-N 0 3 294.359 -1.004 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CN(C)C(=O)C1CC1)C(N)=O ZINC001437145817 891165408 /nfs/dbraw/zinc/16/54/08/891165408.db2.gz BFXZPCFXXYGQIQ-DTWKUNHWSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1)NCC(=O)N(C)C ZINC001437122528 891165499 /nfs/dbraw/zinc/16/54/99/891165499.db2.gz IVFKCEWALRFFHY-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001437134736 891165567 /nfs/dbraw/zinc/16/55/67/891165567.db2.gz IUTGRVSUSNINHR-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@H](C)NCC(N)=O ZINC001437139253 891165751 /nfs/dbraw/zinc/16/57/51/891165751.db2.gz QUJIGJWJLOPKGV-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNC(=O)CCn1ccnn1)N[C@@H]1CCNC1=O ZINC001437119059 891165794 /nfs/dbraw/zinc/16/57/94/891165794.db2.gz JXTGPKQCKBUSDG-NXEZZACHSA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)NCC(=O)N(C)C ZINC001437150831 891165941 /nfs/dbraw/zinc/16/59/41/891165941.db2.gz QGDGXRGKKBAMIY-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001437129462 891165997 /nfs/dbraw/zinc/16/59/97/891165997.db2.gz KBKYNYDTMREVKQ-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](C)N[C@H]2CCNC2=O)C1 ZINC001437128892 891166066 /nfs/dbraw/zinc/16/60/66/891166066.db2.gz ZJKJZBMMWNZLLE-KCJUWKMLSA-N 0 3 282.344 -1.553 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001437140946 891166306 /nfs/dbraw/zinc/16/63/06/891166306.db2.gz ZELFGMMIYYXSLI-QMMMGPOBSA-N 0 3 297.363 -1.118 20 0 CAADHN C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)NCC(N)=O ZINC001437167505 891167017 /nfs/dbraw/zinc/16/70/17/891167017.db2.gz MXPCSIZUYFIAEU-VIFPVBQESA-N 0 3 285.348 -2.660 20 0 CAADHN C[C@@H](CNC(=O)CN1CCNC(=O)C1)NCC(N)=O ZINC001437186222 891167570 /nfs/dbraw/zinc/16/75/70/891167570.db2.gz JUKMRMLZDIKSCW-QMMMGPOBSA-N 0 3 271.321 -3.002 20 0 CAADHN CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)NCC(N)=O)C1 ZINC001437158466 891167765 /nfs/dbraw/zinc/16/77/65/891167765.db2.gz DNEWSHJLMSNPNH-KOLCDFICSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cnco1 ZINC001437194272 891168105 /nfs/dbraw/zinc/16/81/05/891168105.db2.gz ZELGHKVMECTZHP-SSDOTTSWSA-N 0 3 283.288 -1.162 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)NCC(=O)N1CCC1 ZINC001437170179 891168124 /nfs/dbraw/zinc/16/81/24/891168124.db2.gz WSYQYQPPIZLXJA-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](CNC(=O)c1csnn1)NCC(=O)NC(N)=O ZINC001437193183 891168141 /nfs/dbraw/zinc/16/81/41/891168141.db2.gz VDDODEAWNCHGGD-YFKPBYRVSA-N 0 3 286.317 -1.559 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)NCC(N)=O ZINC001437165448 891168205 /nfs/dbraw/zinc/16/82/05/891168205.db2.gz PYRLTSLIHWCCQB-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CNC(=O)COCc1cc[nH]c(=O)c1)NCC(N)=O ZINC001437164302 891168281 /nfs/dbraw/zinc/16/82/81/891168281.db2.gz DJRUHGUQFHJASH-SECBINFHSA-N 0 3 296.327 -1.117 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCc1cnn(C)n1 ZINC001437214464 891168326 /nfs/dbraw/zinc/16/83/26/891168326.db2.gz VZABQBZHXCZVMM-ZJUUUORDSA-N 0 3 296.375 -1.024 20 0 CAADHN CO[C@H](C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)C(C)C ZINC001437206585 891168460 /nfs/dbraw/zinc/16/84/60/891168460.db2.gz XVQXNSGQFRIGMV-SCZZXKLOSA-N 0 3 288.348 -1.053 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)Cn1ccc(C)cc1=O ZINC001437210833 891168486 /nfs/dbraw/zinc/16/84/86/891168486.db2.gz LDMZAYAAHSHQFW-LLVKDONJSA-N 0 3 294.355 -1.003 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC2N=NC(=O)N2C1)NCC(N)=O ZINC001437159211 891168516 /nfs/dbraw/zinc/16/85/16/891168516.db2.gz DUEDKLCPAROUOX-SFYZADRCSA-N 0 3 296.331 -1.874 20 0 CAADHN CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)NCC(N)=O)C1 ZINC001437158449 891168557 /nfs/dbraw/zinc/16/85/57/891168557.db2.gz DNEWSHJLMSNPNH-GXSJLCMTSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)NCC(N)=O ZINC001437203181 891168735 /nfs/dbraw/zinc/16/87/35/891168735.db2.gz NXSGDICIZDYAJX-RQJHMYQMSA-N 0 3 280.350 -2.496 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)NCC(N)=O ZINC001437203171 891168858 /nfs/dbraw/zinc/16/88/58/891168858.db2.gz NXSGDICIZDYAJX-BQBZGAKWSA-N 0 3 280.350 -2.496 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)NCC(N)=O ZINC001437159203 891169093 /nfs/dbraw/zinc/16/90/93/891169093.db2.gz DUEDKLCPAROUOX-HTQZYQBOSA-N 0 3 296.331 -1.874 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N(C)C1CC1 ZINC001437194163 891169115 /nfs/dbraw/zinc/16/91/15/891169115.db2.gz IKFSBQGRDWIWQJ-WPRPVWTQSA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCC(=O)N(C)C ZINC001437191031 891169124 /nfs/dbraw/zinc/16/91/24/891169124.db2.gz DHGDZNOOYQIFOQ-ZANVPECISA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNC(=O)C1(NC(N)=O)CCCCC1)NCC(N)=O ZINC001437216297 891169269 /nfs/dbraw/zinc/16/92/69/891169269.db2.gz VDQIZLGRXMAQCF-VIFPVBQESA-N 0 3 299.375 -1.063 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN(C)S(C)(=O)=O ZINC001437161103 891169323 /nfs/dbraw/zinc/16/93/23/891169323.db2.gz XWUAEXCMKQQZST-MRVPVSSYSA-N 0 3 294.377 -2.282 20 0 CAADHN C[C@H](CNC(=O)CCN1CCOCC1)N[C@H](C)C(N)=O ZINC001437232626 891170337 /nfs/dbraw/zinc/17/03/37/891170337.db2.gz ZWMBCDZLZWPHGJ-GHMZBOCLSA-N 0 3 286.376 -1.323 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)NCC(N)=O ZINC001437259260 891170727 /nfs/dbraw/zinc/17/07/27/891170727.db2.gz VGOUQETVRZGONI-LURJTMIESA-N 0 3 283.288 -2.321 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001437262335 891170758 /nfs/dbraw/zinc/17/07/58/891170758.db2.gz OCDLAJQZNNXJIK-IUCAKERBSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N[C@H]1CCNC1=O ZINC001437257689 891170829 /nfs/dbraw/zinc/17/08/29/891170829.db2.gz DUWFOCJAKUKTOE-APPZFPTMSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@@H](CNC(=O)c1ccncn1)NCC(=O)NC(N)=O ZINC001437227612 891170881 /nfs/dbraw/zinc/17/08/81/891170881.db2.gz VPLNFWWRYCYYHH-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001437267982 891171111 /nfs/dbraw/zinc/17/11/11/891171111.db2.gz VXCSJBHFHTUXMZ-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N[C@H]1CCNC1=O ZINC001437257690 891171133 /nfs/dbraw/zinc/17/11/33/891171133.db2.gz DUWFOCJAKUKTOE-CBAPKCEASA-N 0 3 293.327 -1.290 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001437262333 891171172 /nfs/dbraw/zinc/17/11/72/891171172.db2.gz OCDLAJQZNNXJIK-DTWKUNHWSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)N[C@@H]1CCNC1=O ZINC001437257692 891171205 /nfs/dbraw/zinc/17/12/05/891171205.db2.gz DUWFOCJAKUKTOE-VXNVDRBHSA-N 0 3 293.327 -1.290 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001437228960 891171241 /nfs/dbraw/zinc/17/12/41/891171241.db2.gz WVYVKDQKAUBFBU-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)NCC(N)=O ZINC001437248107 891171261 /nfs/dbraw/zinc/17/12/61/891171261.db2.gz NDKQSAJGMYZYGO-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)c1ccccc1)NCC(N)=O ZINC001437239772 891171317 /nfs/dbraw/zinc/17/13/17/891171317.db2.gz AIZSMYPFEODFGP-JTQLQIEISA-N 0 3 292.339 -1.004 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCc2nnc[n-]2)C1 ZINC001437293410 891171331 /nfs/dbraw/zinc/17/13/31/891171331.db2.gz FDROBTJUURFYQB-SNVBAGLBSA-N 0 3 294.359 -1.079 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CCn1cnnn1 ZINC001437224892 891171353 /nfs/dbraw/zinc/17/13/53/891171353.db2.gz OOKCQRQKNCJVAN-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN CCCS(=O)(=O)CC(=O)NC[C@H](C)NCC(=O)NC ZINC001437256208 891171366 /nfs/dbraw/zinc/17/13/66/891171366.db2.gz CKXULEDFHBXKPN-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@H](CNC(=O)c1ccncn1)NCC(=O)NC(N)=O ZINC001437227611 891171375 /nfs/dbraw/zinc/17/13/75/891171375.db2.gz VPLNFWWRYCYYHH-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCCS(N)(=O)=O)C1 ZINC001437282834 891171461 /nfs/dbraw/zinc/17/14/61/891171461.db2.gz YXOYRQVEJGUEHV-QMMMGPOBSA-N 0 3 292.361 -2.269 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CCn1cnnn1 ZINC001437224896 891171468 /nfs/dbraw/zinc/17/14/68/891171468.db2.gz OOKCQRQKNCJVAN-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001437262331 891171480 /nfs/dbraw/zinc/17/14/80/891171480.db2.gz OCDLAJQZNNXJIK-BDAKNGLRSA-N 0 3 291.373 -1.596 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001437268922 891171539 /nfs/dbraw/zinc/17/15/39/891171539.db2.gz FMCSRNABWXGXBP-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCc2nnc[n-]2)C1 ZINC001437293408 891171650 /nfs/dbraw/zinc/17/16/50/891171650.db2.gz FDROBTJUURFYQB-JTQLQIEISA-N 0 3 294.359 -1.079 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001437281709 891171740 /nfs/dbraw/zinc/17/17/40/891171740.db2.gz DOXRDHHBDGAFAW-QMMMGPOBSA-N 0 3 294.315 -1.662 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)NCCS(C)(=O)=O ZINC001437239764 891171788 /nfs/dbraw/zinc/17/17/88/891171788.db2.gz AEKMKHUJEXCODY-QMMMGPOBSA-N 0 3 294.377 -1.816 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)NCC(N)=O ZINC001437259265 891172042 /nfs/dbraw/zinc/17/20/42/891172042.db2.gz VGOUQETVRZGONI-ZCFIWIBFSA-N 0 3 283.288 -2.321 20 0 CAADHN CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001437311538 891174101 /nfs/dbraw/zinc/17/41/01/891174101.db2.gz PZAZJIHHGFZCJV-SECBINFHSA-N 0 3 280.332 -1.008 20 0 CAADHN CCn1ncc(C(=O)NCCN(C)C[C@@H](O)COC)n1 ZINC001437458644 891175617 /nfs/dbraw/zinc/17/56/17/891175617.db2.gz RPYYSKKHEGEKCW-SNVBAGLBSA-N 0 3 285.348 -1.033 20 0 CAADHN CN(CCO)CCNC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC001437461800 891175838 /nfs/dbraw/zinc/17/58/38/891175838.db2.gz FWYUGFYDVZCUFD-JTQLQIEISA-N 0 3 295.343 -1.197 20 0 CAADHN CNS(=O)(=O)CCC(=O)NCCN(C)C[C@H](C)O ZINC001437463263 891181281 /nfs/dbraw/zinc/18/12/81/891181281.db2.gz MXFLGBCWGSRSIE-VIFPVBQESA-N 0 3 281.378 -1.646 20 0 CAADHN COC[C@H](C)N(C)CCNC(=O)Cn1ncn(C)c1=O ZINC001437492833 891181887 /nfs/dbraw/zinc/18/18/87/891181887.db2.gz ZILSGBGEWPGSHI-JTQLQIEISA-N 0 3 285.348 -1.335 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001437570548 891184018 /nfs/dbraw/zinc/18/40/18/891184018.db2.gz QVIUFMNKIJDTDG-MRVPVSSYSA-N 0 3 284.320 -2.194 20 0 CAADHN CN(CCNC(=O)c1nnc[nH]1)CCN1CCNC1=O ZINC001437535369 891183987 /nfs/dbraw/zinc/18/39/87/891183987.db2.gz GZTWALCGRDUQDD-UHFFFAOYSA-N 0 3 281.320 -1.509 20 0 CAADHN CN(CCO)CCNC(=O)C1(n2cnnn2)CCOCC1 ZINC001437532752 891185390 /nfs/dbraw/zinc/18/53/90/891185390.db2.gz TZGKVTCFVPYSHF-UHFFFAOYSA-N 0 3 298.347 -1.781 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001437524687 891185528 /nfs/dbraw/zinc/18/55/28/891185528.db2.gz HPEUNHDSZCINDJ-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN CCN(CCNC(=O)[C@@H]1CCC(=O)N1)CCn1cncn1 ZINC001437636285 891187761 /nfs/dbraw/zinc/18/77/61/891187761.db2.gz AVGHIKUSPJIEAR-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H]1CCCN1CCCO ZINC001437702661 891189377 /nfs/dbraw/zinc/18/93/77/891189377.db2.gz OPUNWUGJUIEVSL-SNVBAGLBSA-N 0 3 293.389 -1.501 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NCCN(CCO)C1CC1 ZINC001437817535 891191035 /nfs/dbraw/zinc/19/10/35/891191035.db2.gz SCNKWUXNOPEQAH-UHFFFAOYSA-N 0 3 293.389 -1.549 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CO[C@H]1CCOC1 ZINC001437831877 891191062 /nfs/dbraw/zinc/19/10/62/891191062.db2.gz FPDOVUUSEGKAHG-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN Cc1nc(C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O)c[nH]1 ZINC001437827216 891191281 /nfs/dbraw/zinc/19/12/81/891191281.db2.gz GKKABNRECZUWCO-ZETCQYMHSA-N 0 3 296.331 -1.037 20 0 CAADHN CCNC(=O)CCC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001437828117 891191298 /nfs/dbraw/zinc/19/12/98/891191298.db2.gz LOCPCPMHSJNURJ-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@H](NCCN(C)C(=O)CO[C@H]1CCOC1)C(N)=O ZINC001437830570 891191364 /nfs/dbraw/zinc/19/13/64/891191364.db2.gz ASWWOVIOCDGDAP-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCNC(=O)C1)C(N)=O ZINC001437827659 891191462 /nfs/dbraw/zinc/19/14/62/891191462.db2.gz BFTMGVHHFADEKV-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](NCCN(C)C(=O)CO[C@@H]1CCOC1)C(N)=O ZINC001437830574 891191478 /nfs/dbraw/zinc/19/14/78/891191478.db2.gz ASWWOVIOCDGDAP-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CN(C)C(C)=O ZINC001437832181 891191644 /nfs/dbraw/zinc/19/16/44/891191644.db2.gz WVJZIKDHQQDKCP-VIFPVBQESA-N 0 3 272.349 -1.353 20 0 CAADHN CCCC[C@@H](NCCN(C)C(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001437833189 891191686 /nfs/dbraw/zinc/19/16/86/891191686.db2.gz YOFLFRJQLFSRLY-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN O=C(Cc1nnc[nH]1)NCCN(C1CC1)[C@H]1CCNC1=O ZINC001437812568 891191810 /nfs/dbraw/zinc/19/18/10/891191810.db2.gz BLHMELODECRCON-JTQLQIEISA-N 0 3 292.343 -1.184 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCNC(=O)C1)C(N)=O ZINC001437827658 891191895 /nfs/dbraw/zinc/19/18/95/891191895.db2.gz BFTMGVHHFADEKV-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001437831101 891191999 /nfs/dbraw/zinc/19/19/99/891191999.db2.gz PBOOOZUIHKNOPF-MNOVXSKESA-N 0 3 286.376 -1.501 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001437831105 891192283 /nfs/dbraw/zinc/19/22/83/891192283.db2.gz PBOOOZUIHKNOPF-QWRGUYRKSA-N 0 3 286.376 -1.501 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001437831081 891192659 /nfs/dbraw/zinc/19/26/59/891192659.db2.gz PBOOOZUIHKNOPF-GHMZBOCLSA-N 0 3 286.376 -1.501 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CN(C)C(C)=O)C(N)=O ZINC001437828060 891192826 /nfs/dbraw/zinc/19/28/26/891192826.db2.gz KTXGMFCCJFZGIO-JTQLQIEISA-N 0 3 272.349 -1.223 20 0 CAADHN COC[C@H](OC)C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001437833767 891193049 /nfs/dbraw/zinc/19/30/49/891193049.db2.gz DEMHLDNWNXPBBM-MNOVXSKESA-N 0 3 287.360 -1.074 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN1CCCC1=O)C(N)=O ZINC001437820267 891193206 /nfs/dbraw/zinc/19/32/06/891193206.db2.gz AKNWJLKGFNMULL-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN Cc1nc(C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O)c[nH]1 ZINC001437827214 891193225 /nfs/dbraw/zinc/19/32/25/891193225.db2.gz GKKABNRECZUWCO-SSDOTTSWSA-N 0 3 296.331 -1.037 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN(CCO)C1CC1 ZINC001437818004 891193305 /nfs/dbraw/zinc/19/33/05/891193305.db2.gz JRTMSXWUAJKVFY-UHFFFAOYSA-N 0 3 279.362 -1.892 20 0 CAADHN Cc1cc(C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O)[nH]n1 ZINC001437833205 891193386 /nfs/dbraw/zinc/19/33/86/891193386.db2.gz ZPRRKBIBRYMCTP-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN Cc1cc(C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O)n[nH]1 ZINC001437833205 891193393 /nfs/dbraw/zinc/19/33/93/891193393.db2.gz ZPRRKBIBRYMCTP-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)CCn1cncn1 ZINC001437832130 891193452 /nfs/dbraw/zinc/19/34/52/891193452.db2.gz WBRCJRIDNQOULK-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CN1CCCNC1=O ZINC001437829696 891193538 /nfs/dbraw/zinc/19/35/38/891193538.db2.gz HQKJEOFQZZRTSI-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN COC[C@@H](OC)C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001437833744 891193601 /nfs/dbraw/zinc/19/36/01/891193601.db2.gz DEMHLDNWNXPBBM-GHMZBOCLSA-N 0 3 287.360 -1.074 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CN(C)C(C)=O ZINC001437832177 891193613 /nfs/dbraw/zinc/19/36/13/891193613.db2.gz WVJZIKDHQQDKCP-SECBINFHSA-N 0 3 272.349 -1.353 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001437829817 891193684 /nfs/dbraw/zinc/19/36/84/891193684.db2.gz KOKAHXUCRPZWSO-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CO[C@H]1CCOC1)C(N)=O ZINC001437830576 891193873 /nfs/dbraw/zinc/19/38/73/891193873.db2.gz ASWWOVIOCDGDAP-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CN(C)C(C)=O)C(N)=O ZINC001437828061 891193901 /nfs/dbraw/zinc/19/39/01/891193901.db2.gz KTXGMFCCJFZGIO-SNVBAGLBSA-N 0 3 272.349 -1.223 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CS(=O)(=O)NC)C(N)=O ZINC001437850702 891195305 /nfs/dbraw/zinc/19/53/05/891195305.db2.gz VFUGSCYYNYMVHB-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CCCC(N)=O ZINC001437850825 891195176 /nfs/dbraw/zinc/19/51/76/891195176.db2.gz AJTSLCDBUMDFIG-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)c1cnnn1C ZINC001437841398 891195270 /nfs/dbraw/zinc/19/52/70/891195270.db2.gz YUJVNNJKJPUOHA-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001437843562 891196060 /nfs/dbraw/zinc/19/60/60/891196060.db2.gz ZVGSTQAVVNOFDS-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCN1CCCC1=O)C(N)=O ZINC001437840485 891195884 /nfs/dbraw/zinc/19/58/84/891195884.db2.gz FSCSXENMWIFTDR-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCN1CCCC1=O)C(N)=O ZINC001437839206 891195909 /nfs/dbraw/zinc/19/59/09/891195909.db2.gz FSCSXENMWIFTDR-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cn[nH]c(=O)c1 ZINC001437843740 891195942 /nfs/dbraw/zinc/19/59/42/891195942.db2.gz KJONQZIZQQWLEN-SECBINFHSA-N 0 3 279.300 -1.268 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cn(C)nn1)C(=O)NC(N)=O ZINC001437833956 891195989 /nfs/dbraw/zinc/19/59/89/891195989.db2.gz LUZMYYUTJKMSMV-SSDOTTSWSA-N 0 3 297.319 -1.940 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001437842028 891196285 /nfs/dbraw/zinc/19/62/85/891196285.db2.gz IDMQGBKTNVYDRG-QMMMGPOBSA-N 0 3 281.316 -1.684 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001437965610 891196337 /nfs/dbraw/zinc/19/63/37/891196337.db2.gz MVPTXPNXSZTDPM-NWDGAFQWSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001437848470 891196352 /nfs/dbraw/zinc/19/63/52/891196352.db2.gz RASZUTSFUUBVHP-BDAKNGLRSA-N 0 3 293.389 -1.398 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CS(=O)(=O)NC)C(N)=O ZINC001437850706 891196455 /nfs/dbraw/zinc/19/64/55/891196455.db2.gz VFUGSCYYNYMVHB-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001437965614 891196493 /nfs/dbraw/zinc/19/64/93/891196493.db2.gz MVPTXPNXSZTDPM-RYUDHWBXSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cn[nH]c(=O)c1 ZINC001437843741 891196534 /nfs/dbraw/zinc/19/65/34/891196534.db2.gz KJONQZIZQQWLEN-VIFPVBQESA-N 0 3 279.300 -1.268 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCCCN1C(N)=O)C(N)=O ZINC001437835298 891196572 /nfs/dbraw/zinc/19/65/72/891196572.db2.gz DHJKVVSPGHSILM-UWVGGRQHSA-N 0 3 299.375 -1.159 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001437852911 891196579 /nfs/dbraw/zinc/19/65/79/891196579.db2.gz XWOZMOVJWFSJIR-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCc2nncn2C1)C(N)=O ZINC001437842501 891196670 /nfs/dbraw/zinc/19/66/70/891196670.db2.gz IGVQUUGLXXRFJI-ZJUUUORDSA-N 0 3 294.359 -1.238 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001437944487 891196706 /nfs/dbraw/zinc/19/67/06/891196706.db2.gz HXNDOTBINGFEIB-VIFPVBQESA-N 0 3 295.347 -1.602 20 0 CAADHN CC(=O)NCC(=O)NCC[C@H]1CCN([C@H]2CCNC2=O)C1 ZINC001437912248 891196918 /nfs/dbraw/zinc/19/69/18/891196918.db2.gz YMXRSVUIVVMFET-RYUDHWBXSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001437860952 891196931 /nfs/dbraw/zinc/19/69/31/891196931.db2.gz WEBCUZHALGZVEL-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001437843578 891196970 /nfs/dbraw/zinc/19/69/70/891196970.db2.gz ZVGSTQAVVNOFDS-ZJUUUORDSA-N 0 3 284.360 -1.353 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)CCn1cnnn1 ZINC001437841379 891196987 /nfs/dbraw/zinc/19/69/87/891196987.db2.gz JMWLVRGFGVNFSM-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001437834849 891197168 /nfs/dbraw/zinc/19/71/68/891197168.db2.gz OZEGPHXOQDKBTO-JGVFFNPUSA-N 0 3 272.305 -1.723 20 0 CAADHN CC(=O)NCC(=O)NCC[C@@H]1CCN([C@H]2CCNC2=O)C1 ZINC001437912246 891197266 /nfs/dbraw/zinc/19/72/66/891197266.db2.gz YMXRSVUIVVMFET-NEPJUHHUSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001437837148 891197379 /nfs/dbraw/zinc/19/73/79/891197379.db2.gz CLCYOZIHOBQYOY-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001437834005 891197578 /nfs/dbraw/zinc/19/75/78/891197578.db2.gz DTRLENGXHONSOB-IUCAKERBSA-N 0 3 285.348 -1.678 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CCS(C)(=O)=O ZINC001438657388 891229230 /nfs/dbraw/zinc/22/92/30/891229230.db2.gz AITWGPYSTWWKSA-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001438006247 891199922 /nfs/dbraw/zinc/19/99/22/891199922.db2.gz FZVVNWGARSKHFI-GUBZILKMSA-N 0 3 299.375 -1.242 20 0 CAADHN COCC(=O)N(C)CC(=O)NCC1CN(CCCO)C1 ZINC001438122008 891206273 /nfs/dbraw/zinc/20/62/73/891206273.db2.gz QRIJABOZSZJVJW-UHFFFAOYSA-N 0 3 287.360 -1.478 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001438137115 891206778 /nfs/dbraw/zinc/20/67/78/891206778.db2.gz JMYXWAASBOSNCN-FZMZJTMJSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001438103253 891206898 /nfs/dbraw/zinc/20/68/98/891206898.db2.gz BXXBKRMZXGVEPN-BXKDBHETSA-N 0 3 287.360 -1.434 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(Cc2nnnn2C)C1 ZINC001438098904 891207529 /nfs/dbraw/zinc/20/75/29/891207529.db2.gz ZHNDEWUULYUGSQ-UHFFFAOYSA-N 0 3 281.364 -1.149 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H](C)NC(C)=O)C1 ZINC001438103256 891208639 /nfs/dbraw/zinc/20/86/39/891208639.db2.gz BXXBKRMZXGVEPN-JOYOIKCWSA-N 0 3 287.360 -1.434 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCN(CCO)C1 ZINC001438206172 891211306 /nfs/dbraw/zinc/21/13/06/891211306.db2.gz HFYAELLHIDBUNY-SNVBAGLBSA-N 0 3 286.332 -2.579 20 0 CAADHN CC[C@@H](CNC(=O)c1nc[nH]n1)NCc1nnnn1C ZINC001438352961 891215398 /nfs/dbraw/zinc/21/53/98/891215398.db2.gz RGPHUKRWWLOXNE-ZETCQYMHSA-N 0 3 279.308 -1.374 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001438459257 891215867 /nfs/dbraw/zinc/21/58/67/891215867.db2.gz WYQHBOWSNPHUCT-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1COCCN1CC)NCC(N)=O ZINC001438324445 891215931 /nfs/dbraw/zinc/21/59/31/891215931.db2.gz JZSWLMCIEPTABE-QWRGUYRKSA-N 0 3 286.376 -1.323 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)CC(N)=O)NCC(=O)NC ZINC001438329127 891216110 /nfs/dbraw/zinc/21/61/10/891216110.db2.gz RRVZMKMNYIYZAM-RKDXNWHRSA-N 0 3 272.349 -1.272 20 0 CAADHN CC[C@@H](CNC(=O)CCc1cn(C)nn1)NCC(N)=O ZINC001438379949 891216300 /nfs/dbraw/zinc/21/63/00/891216300.db2.gz RNONHQGIOWCCDE-VIFPVBQESA-N 0 3 282.348 -1.283 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](O)C(C)C)NCC(=O)NC(N)=O ZINC001438305034 891216440 /nfs/dbraw/zinc/21/64/40/891216440.db2.gz WQQFLZWSLWJSPP-WCBMZHEXSA-N 0 3 288.348 -1.317 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)Cn1cncn1 ZINC001438364548 891216547 /nfs/dbraw/zinc/21/65/47/891216547.db2.gz IHSWAJOWXFTCJR-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN CC[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N[C@@H](C)C(N)=O ZINC001438308895 891216772 /nfs/dbraw/zinc/21/67/72/891216772.db2.gz GGGIFPVIGNPJHK-IUCAKERBSA-N 0 3 295.343 -1.248 20 0 CAADHN CC[C@H](CNC(=O)c1cc(=O)n(C)cn1)N[C@@H](C)C(N)=O ZINC001438308893 891216833 /nfs/dbraw/zinc/21/68/33/891216833.db2.gz GGGIFPVIGNPJHK-DTWKUNHWSA-N 0 3 295.343 -1.248 20 0 CAADHN CC[C@H](CNC(=O)C[C@@H]1CCC(=O)NC1)NCC(N)=O ZINC001438314474 891216897 /nfs/dbraw/zinc/21/68/97/891216897.db2.gz VYJYXZXPNXPDRX-VHSXEESVSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@H](CNC(=O)c1ccncn1)NCC(=O)NC(N)=O ZINC001438353353 891217400 /nfs/dbraw/zinc/21/74/00/891217400.db2.gz SZLXNIWJPWOZLO-QMMMGPOBSA-N 0 3 294.315 -1.231 20 0 CAADHN CNC(=O)CNCC1(NC(=O)Cn2cnnn2)CCCC1 ZINC001438364462 891217702 /nfs/dbraw/zinc/21/77/02/891217702.db2.gz MBRATJPBBPFDMR-UHFFFAOYSA-N 0 3 295.347 -1.562 20 0 CAADHN CC[C@H](CNC(=O)CN1CCCC1=O)NCC(N)=O ZINC001438288478 891217999 /nfs/dbraw/zinc/21/79/99/891217999.db2.gz VDZGSDOSYBJFOJ-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CC[C@H](CNC(=O)CCNC(N)=O)NCC(=O)NC ZINC001438366323 891218105 /nfs/dbraw/zinc/21/81/05/891218105.db2.gz KPBKONLETCOFGL-MRVPVSSYSA-N 0 3 273.337 -1.725 20 0 CAADHN CC[C@@H](CNC(=O)CS(=O)(=O)NC)NCC(N)=O ZINC001438363360 891218571 /nfs/dbraw/zinc/21/85/71/891218571.db2.gz BIEFWYFZTFRARG-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN CC[C@@H](CNC(=O)CS(C)(=O)=O)NCC(=O)NC ZINC001438290127 891218354 /nfs/dbraw/zinc/21/83/54/891218354.db2.gz JPXIDYJJJQQNQV-QMMMGPOBSA-N 0 3 279.362 -1.739 20 0 CAADHN CC[C@H](CNC(=O)[C@H](O)C(C)C)NCC(=O)NC(N)=O ZINC001438304985 891218385 /nfs/dbraw/zinc/21/83/85/891218385.db2.gz WQQFLZWSLWJSPP-PSASIEDQSA-N 0 3 288.348 -1.317 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)c1nnn(C)n1)C1CC1 ZINC001438419439 891218520 /nfs/dbraw/zinc/21/85/20/891218520.db2.gz KKFFDTLMOLZGIQ-GFCCVEGCSA-N 0 3 295.347 -1.556 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)CNC(C)=O ZINC001438287514 891218787 /nfs/dbraw/zinc/21/87/87/891218787.db2.gz WLIDBHVVQBUJSH-SNVBAGLBSA-N 0 3 272.349 -1.257 20 0 CAADHN CC[C@@H](CNC(=O)C[C@H]1CCC(=O)NC1)NCC(N)=O ZINC001438314475 891218855 /nfs/dbraw/zinc/21/88/55/891218855.db2.gz VYJYXZXPNXPDRX-ZJUUUORDSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)NCC(=O)N(C)CC ZINC001438303114 891219290 /nfs/dbraw/zinc/21/92/90/891219290.db2.gz LGZLXCWQOMVKPY-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1COCCN1CC)NCC(N)=O ZINC001438324437 891219418 /nfs/dbraw/zinc/21/94/18/891219418.db2.gz JZSWLMCIEPTABE-GHMZBOCLSA-N 0 3 286.376 -1.323 20 0 CAADHN C[C@H](CNCc1ccn(C)n1)CNC(=O)[C@H]1CNC(=O)N1 ZINC001438519912 891221268 /nfs/dbraw/zinc/22/12/68/891221268.db2.gz LDNHKPXPEHKCTB-MWLCHTKSSA-N 0 3 294.359 -1.057 20 0 CAADHN C[C@H](CNCc1ccn(C)n1)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001438519908 891221679 /nfs/dbraw/zinc/22/16/79/891221679.db2.gz LDNHKPXPEHKCTB-KOLCDFICSA-N 0 3 294.359 -1.057 20 0 CAADHN C[C@@H](CNCc1nnnn1C)CNC(=O)c1nnc[nH]1 ZINC001438536484 891222002 /nfs/dbraw/zinc/22/20/02/891222002.db2.gz PMIDRYWIKMJTMM-ZETCQYMHSA-N 0 3 279.308 -1.516 20 0 CAADHN CNC(=O)NCCC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001438589302 891223272 /nfs/dbraw/zinc/22/32/72/891223272.db2.gz XGYJWQAAYUXZRM-UHFFFAOYSA-N 0 3 299.375 -1.191 20 0 CAADHN COCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001438617415 891224784 /nfs/dbraw/zinc/22/47/84/891224784.db2.gz AJVBSRNFOKBLDO-YUMQZZPRSA-N 0 3 274.321 -1.347 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CNC(=O)OC ZINC001438636137 891225709 /nfs/dbraw/zinc/22/57/09/891225709.db2.gz JUOPKZWCJFXTJH-DTWKUNHWSA-N 0 3 288.348 -1.087 20 0 CAADHN CC(=O)N1CC(C(=O)NCC2(NCC(N)=O)CCCC2)C1 ZINC001438586830 891226130 /nfs/dbraw/zinc/22/61/30/891226130.db2.gz BWNAPDJWCCLMBX-UHFFFAOYSA-N 0 3 296.371 -1.031 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CCNC(N)=O)CCCC1 ZINC001438611662 891226958 /nfs/dbraw/zinc/22/69/58/891226958.db2.gz KOGWZQHQKPPKOI-UHFFFAOYSA-N 0 3 299.375 -1.191 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)CCNC(N)=O ZINC001438713948 891227936 /nfs/dbraw/zinc/22/79/36/891227936.db2.gz BENUCHNMHQWGFN-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)c1cnn(C)n1 ZINC001438700540 891228654 /nfs/dbraw/zinc/22/86/54/891228654.db2.gz KBTWVSGKKRXQDL-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001438709504 891228956 /nfs/dbraw/zinc/22/89/56/891228956.db2.gz AJXSFDAMENTIIV-JGVFFNPUSA-N 0 3 292.361 -2.400 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001438681794 891229033 /nfs/dbraw/zinc/22/90/33/891229033.db2.gz LZUWZTLLXWSPGI-IUCAKERBSA-N 0 3 295.343 -1.046 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CCC(=O)N1)C(C)C ZINC001438789520 891229117 /nfs/dbraw/zinc/22/91/17/891229117.db2.gz KBXKYPJKADIAPL-NXEZZACHSA-N 0 3 284.360 -1.259 20 0 CAADHN CC[C@@H](NC[C@H](C)N(C)C(=O)CCn1cnnn1)C(N)=O ZINC001438704522 891229149 /nfs/dbraw/zinc/22/91/49/891229149.db2.gz YFJVMUWLHWKTNO-VHSXEESVSA-N 0 3 297.363 -1.236 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1cnnn1C)C(C)C ZINC001438797180 891229299 /nfs/dbraw/zinc/22/92/99/891229299.db2.gz SDQBYCBRZAPSBM-SECBINFHSA-N 0 3 282.348 -1.095 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCNC(N)=O ZINC001438728598 891229552 /nfs/dbraw/zinc/22/95/52/891229552.db2.gz ZPYMFKRBSCTCPN-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)NCC(N)=O ZINC001438803847 891229793 /nfs/dbraw/zinc/22/97/93/891229793.db2.gz PCWJPYIBCIETIV-VHSXEESVSA-N 0 3 284.360 -1.272 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)[C@@H](C)CN[C@H](C)C(N)=O ZINC001438715157 891229823 /nfs/dbraw/zinc/22/98/23/891229823.db2.gz PPTUWWYNSSJYMU-DTWKUNHWSA-N 0 3 293.389 -1.269 20 0 CAADHN CC[C@@H](NC[C@@H](C)N(C)C(=O)CCn1cnnn1)C(N)=O ZINC001438704518 891229929 /nfs/dbraw/zinc/22/99/29/891229929.db2.gz YFJVMUWLHWKTNO-NXEZZACHSA-N 0 3 297.363 -1.236 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001438712173 891230004 /nfs/dbraw/zinc/23/00/04/891230004.db2.gz HWCDYFOHNRBZHQ-VIFPVBQESA-N 0 3 293.389 -1.269 20 0 CAADHN CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001438771870 891230039 /nfs/dbraw/zinc/23/00/39/891230039.db2.gz MACJBZUVLLMGDC-BDAKNGLRSA-N 0 3 280.332 -1.009 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CN1CCOCC1=O ZINC001438645929 891230072 /nfs/dbraw/zinc/23/00/72/891230072.db2.gz AUMYEMJOLBSOLC-VIFPVBQESA-N 0 3 286.332 -2.233 20 0 CAADHN CC(C)[C@H](CNC(=O)c1nccnc1N)NCC(N)=O ZINC001438798940 891230477 /nfs/dbraw/zinc/23/04/77/891230477.db2.gz RQDSHSJDQPHNBZ-QMMMGPOBSA-N 0 3 280.332 -1.112 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001438674282 891230720 /nfs/dbraw/zinc/23/07/20/891230720.db2.gz OMMKHFUVOXAGGF-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001438667946 891230751 /nfs/dbraw/zinc/23/07/51/891230751.db2.gz ZZDOQSZGQJFSSZ-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)NCC(N)=O ZINC001438803842 891230998 /nfs/dbraw/zinc/23/09/98/891230998.db2.gz PCWJPYIBCIETIV-NXEZZACHSA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001438709508 891231620 /nfs/dbraw/zinc/23/16/20/891231620.db2.gz AJXSFDAMENTIIV-YUMQZZPRSA-N 0 3 292.361 -2.400 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001438712170 891231811 /nfs/dbraw/zinc/23/18/11/891231811.db2.gz HWCDYFOHNRBZHQ-SECBINFHSA-N 0 3 293.389 -1.269 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](NCC(N)=O)C(C)C ZINC001438799580 891232068 /nfs/dbraw/zinc/23/20/68/891232068.db2.gz MDOMKNXRJYDTGF-QMMMGPOBSA-N 0 3 273.337 -1.869 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CN[C@@H]1CCCNC1=O ZINC001438654634 891232219 /nfs/dbraw/zinc/23/22/19/891232219.db2.gz ANNITZUEXZNQCG-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H](C)CC(N)=O)C(C)C ZINC001438812602 891233814 /nfs/dbraw/zinc/23/38/14/891233814.db2.gz NLWHJBPBTVITBN-ZJUUUORDSA-N 0 3 286.376 -1.026 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H](C)CC(N)=O)NCC(N)=O ZINC001438815792 891233904 /nfs/dbraw/zinc/23/39/04/891233904.db2.gz GNRMZHDDLSEMJZ-RKDXNWHRSA-N 0 3 272.349 -1.286 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001438855237 891234480 /nfs/dbraw/zinc/23/44/80/891234480.db2.gz JABABGDXXURQNE-NEPJUHHUSA-N 0 3 290.360 -1.201 20 0 CAADHN CN(CCN(C)C(=O)[C@H]1CNC(=O)N1)CCn1cccn1 ZINC001438907354 891234830 /nfs/dbraw/zinc/23/48/30/891234830.db2.gz VPBPOJBORIGOAV-LLVKDONJSA-N 0 3 294.359 -1.045 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)CCCS(N)(=O)=O ZINC001438905455 891235792 /nfs/dbraw/zinc/23/57/92/891235792.db2.gz KRLYGSPFBVYCDR-JTQLQIEISA-N 0 3 295.405 -1.174 20 0 CAADHN CN(CCN(C)C(=O)[C@H]1CCCN1C)CC(=O)NC(N)=O ZINC001438900515 891237336 /nfs/dbraw/zinc/23/73/36/891237336.db2.gz LJFVLWQHSSUOAG-SNVBAGLBSA-N 0 3 299.375 -1.334 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H](C)CC(N)=O)NCC(N)=O ZINC001438815773 891237962 /nfs/dbraw/zinc/23/79/62/891237962.db2.gz GNRMZHDDLSEMJZ-DTWKUNHWSA-N 0 3 272.349 -1.286 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001438954655 891238708 /nfs/dbraw/zinc/23/87/08/891238708.db2.gz CEBGFSJZZYUCSR-LLVKDONJSA-N 0 3 297.359 -1.373 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cccnc1 ZINC001438957186 891238896 /nfs/dbraw/zinc/23/88/96/891238896.db2.gz OCOTWNSTKYMGRC-WDEREUQCSA-N 0 3 278.312 -1.350 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cc(C)no1)C(N)=O ZINC001438953642 891238952 /nfs/dbraw/zinc/23/89/52/891238952.db2.gz BTGLJIUJKXCWOH-BDAKNGLRSA-N 0 3 284.316 -1.073 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C1=COCCO1 ZINC001438952800 891239407 /nfs/dbraw/zinc/23/94/07/891239407.db2.gz FNOUKTYMYOFMPV-BDAKNGLRSA-N 0 3 287.316 -1.924 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C(C)(F)F)C(=O)NC(N)=O ZINC001438954631 891239442 /nfs/dbraw/zinc/23/94/42/891239442.db2.gz JXPLNWRRPXMAEN-RITPCOANSA-N 0 3 296.274 -1.708 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)no1 ZINC001438956463 891239817 /nfs/dbraw/zinc/23/98/17/891239817.db2.gz FUDWHJUCSNMJJR-DTWKUNHWSA-N 0 3 282.300 -1.448 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1c(C)noc1C ZINC001438956675 891240488 /nfs/dbraw/zinc/24/04/88/891240488.db2.gz GUTJCMQSUQFZSK-SECBINFHSA-N 0 3 284.316 -1.282 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001438954718 891240694 /nfs/dbraw/zinc/24/06/94/891240694.db2.gz IXCPSNPZPDWVGA-UWVGGRQHSA-N 0 3 273.333 -1.632 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)no1 ZINC001438956466 891240890 /nfs/dbraw/zinc/24/08/90/891240890.db2.gz FUDWHJUCSNMJJR-IUCAKERBSA-N 0 3 282.300 -1.448 20 0 CAADHN COCCC(=O)NC[C@H](O)CN[C@H]1CCCN(C)C1=O ZINC001438955774 891240920 /nfs/dbraw/zinc/24/09/20/891240920.db2.gz DIVIWWLITDUXKG-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC001438932008 891241125 /nfs/dbraw/zinc/24/11/25/891241125.db2.gz VLNNIBQUJMCDSW-JTQLQIEISA-N 0 3 295.405 -1.351 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1=COCCO1 ZINC001438955883 891241411 /nfs/dbraw/zinc/24/14/11/891241411.db2.gz LAJMYUDXQDFOGE-QMMMGPOBSA-N 0 3 273.289 -2.313 20 0 CAADHN CN(CCCO)CCN(C)C(=O)c1nccnc1C(N)=O ZINC001438934582 891241848 /nfs/dbraw/zinc/24/18/48/891241848.db2.gz HFCCKJLMMNYAIU-UHFFFAOYSA-N 0 3 295.343 -1.038 20 0 CAADHN CCOCC(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001438954732 891241872 /nfs/dbraw/zinc/24/18/72/891241872.db2.gz IXCPSNPZPDWVGA-ZJUUUORDSA-N 0 3 273.333 -1.632 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN(C)CCCO ZINC001438934279 891241954 /nfs/dbraw/zinc/24/19/54/891241954.db2.gz KCNGMRBCXDGMLN-UHFFFAOYSA-N 0 3 281.378 -1.692 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001438954662 891242033 /nfs/dbraw/zinc/24/20/33/891242033.db2.gz CEBGFSJZZYUCSR-NSHDSACASA-N 0 3 297.359 -1.373 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)C1=COCCO1 ZINC001438951360 891242480 /nfs/dbraw/zinc/24/24/80/891242480.db2.gz BBPIUELHOONPBZ-VIFPVBQESA-N 0 3 287.316 -1.971 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC1CC1 ZINC001438956857 891242775 /nfs/dbraw/zinc/24/27/75/891242775.db2.gz FDSYSUGDOYVWND-WCBMZHEXSA-N 0 3 273.333 -1.633 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001438952502 891243019 /nfs/dbraw/zinc/24/30/19/891243019.db2.gz GURCNODEKVNDGT-NSHDSACASA-N 0 3 283.332 -1.877 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001438952954 891243079 /nfs/dbraw/zinc/24/30/79/891243079.db2.gz GIPSHXFCZLPNEU-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CNC(=O)C(F)F)C1=O ZINC001438960438 891243944 /nfs/dbraw/zinc/24/39/44/891243944.db2.gz LVTFXVPQGQJTCF-HTQZYQBOSA-N 0 3 279.287 -1.061 20 0 CAADHN CCCCC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001438966970 891243967 /nfs/dbraw/zinc/24/39/67/891243967.db2.gz FAIZUKFOXWHQLP-IUCAKERBSA-N 0 3 288.348 -1.173 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CN(C)C(C)=O ZINC001438967785 891244084 /nfs/dbraw/zinc/24/40/84/891244084.db2.gz DEZZPRLCQOWBHE-VIFPVBQESA-N 0 3 274.321 -2.723 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnn(C)c1)C(=O)N(C)C ZINC001438958185 891245094 /nfs/dbraw/zinc/24/50/94/891245094.db2.gz JVOZBTJRULZZCY-ONGXEEELSA-N 0 3 297.359 -1.423 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001438965233 891245157 /nfs/dbraw/zinc/24/51/57/891245157.db2.gz GCGWENQGIRGJLD-BDAKNGLRSA-N 0 3 283.332 -1.717 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)CC1CC1 ZINC001438966990 891245313 /nfs/dbraw/zinc/24/53/13/891245313.db2.gz WVNZUYHNRWFSTQ-MRVPVSSYSA-N 0 3 272.305 -1.952 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)[nH]n1 ZINC001438962836 891245458 /nfs/dbraw/zinc/24/54/58/891245458.db2.gz BAIVWMJUXBROJL-SNVBAGLBSA-N 0 3 295.343 -1.323 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)NC(=O)NC(C)(C)C ZINC001438968475 891245617 /nfs/dbraw/zinc/24/56/17/891245617.db2.gz YQZWNUTUYJARJP-SECBINFHSA-N 0 3 288.348 -1.303 20 0 CAADHN CCCCC(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001438966965 891245685 /nfs/dbraw/zinc/24/56/85/891245685.db2.gz FAIZUKFOXWHQLP-BDAKNGLRSA-N 0 3 288.348 -1.173 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnccn1)C(=O)N(C)C ZINC001438959728 891246276 /nfs/dbraw/zinc/24/62/76/891246276.db2.gz UESREZZKJCMYHP-VHSXEESVSA-N 0 3 295.343 -1.366 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnn(C)c1)C(=O)N(C)C ZINC001438958147 891246558 /nfs/dbraw/zinc/24/65/58/891246558.db2.gz JVOZBTJRULZZCY-GXSJLCMTSA-N 0 3 297.359 -1.423 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)Cc2cc[nH]n2)n[nH]1 ZINC001438966795 891246740 /nfs/dbraw/zinc/24/67/40/891246740.db2.gz HZSYSURSNBURDX-JTQLQIEISA-N 0 3 293.331 -1.354 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001438965245 891247197 /nfs/dbraw/zinc/24/71/97/891247197.db2.gz GCGWENQGIRGJLD-RKDXNWHRSA-N 0 3 283.332 -1.717 20 0 CAADHN Cc1noc(C)c1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001438962554 891247476 /nfs/dbraw/zinc/24/74/76/891247476.db2.gz SLCXTNCJGLQVDS-VHSXEESVSA-N 0 3 296.327 -1.140 20 0 CAADHN CCCCC(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001438966968 891247545 /nfs/dbraw/zinc/24/75/45/891247545.db2.gz FAIZUKFOXWHQLP-DTWKUNHWSA-N 0 3 288.348 -1.173 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1snnc1C ZINC001438963284 891247627 /nfs/dbraw/zinc/24/76/27/891247627.db2.gz TVTRLDDVXZHJCX-ZETCQYMHSA-N 0 3 287.345 -1.727 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnns1 ZINC001438962969 891247716 /nfs/dbraw/zinc/24/77/16/891247716.db2.gz BNGSGHLGZUKIRQ-RNFRBKRXSA-N 0 3 287.345 -1.647 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccccn1 ZINC001438958715 891247744 /nfs/dbraw/zinc/24/77/44/891247744.db2.gz RUPRQZWMQKGSQY-JTQLQIEISA-N 0 3 280.328 -1.150 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001438977729 891248067 /nfs/dbraw/zinc/24/80/67/891248067.db2.gz HXLZJNXXQHSKJQ-VXNVDRBHSA-N 0 3 282.300 -1.659 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1cc[nH]n1)C(=O)N(C)C ZINC001438972609 891248140 /nfs/dbraw/zinc/24/81/40/891248140.db2.gz QRGXQXRUHFWBSD-GXSJLCMTSA-N 0 3 297.359 -1.504 20 0 CAADHN Cc1ccncc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001438973687 891248174 /nfs/dbraw/zinc/24/81/74/891248174.db2.gz UXXLNEJZPANLOE-ZJUUUORDSA-N 0 3 280.328 -1.056 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)n1cccn1 ZINC001438974178 891248627 /nfs/dbraw/zinc/24/86/27/891248627.db2.gz LVWDKDLNGKGNQI-NXEZZACHSA-N 0 3 283.332 -1.743 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H](C)OC ZINC001438971501 891248857 /nfs/dbraw/zinc/24/88/57/891248857.db2.gz OEIJRPNNGBEKKA-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cn[nH]c2)n[nH]1 ZINC001438973207 891249106 /nfs/dbraw/zinc/24/91/06/891249106.db2.gz KVNKYYYEDOVPBE-SECBINFHSA-N 0 3 279.304 -1.283 20 0 CAADHN Cc1ccn(C)c1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001438975949 891249368 /nfs/dbraw/zinc/24/93/68/891249368.db2.gz BNMPUBKTCPAFRC-ZJUUUORDSA-N 0 3 282.344 -1.112 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001438977705 891249635 /nfs/dbraw/zinc/24/96/35/891249635.db2.gz HXLZJNXXQHSKJQ-APPZFPTMSA-N 0 3 282.300 -1.659 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnns1)N1CCC1 ZINC001438969007 891249684 /nfs/dbraw/zinc/24/96/84/891249684.db2.gz FIRFIYIDBZOQTN-QMMMGPOBSA-N 0 3 299.356 -1.549 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H](C)OC ZINC001438971504 891249715 /nfs/dbraw/zinc/24/97/15/891249715.db2.gz OEIJRPNNGBEKKA-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1nnn(C)c1C ZINC001438972575 891249873 /nfs/dbraw/zinc/24/98/73/891249873.db2.gz QLBRWYFQNKIIGL-SECBINFHSA-N 0 3 298.347 -2.060 20 0 CAADHN Cc1cccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001438970798 891249901 /nfs/dbraw/zinc/24/99/01/891249901.db2.gz LSHFIPVHGCUVIE-VHSXEESVSA-N 0 3 280.328 -1.056 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)SC ZINC001438979291 891250107 /nfs/dbraw/zinc/25/01/07/891250107.db2.gz WRJDDGSRDWUIQW-DTWKUNHWSA-N 0 3 277.390 -1.059 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cncs1 ZINC001438972788 891250173 /nfs/dbraw/zinc/25/01/73/891250173.db2.gz RMQZBADAVCBGOX-ZETCQYMHSA-N 0 3 272.330 -1.431 20 0 CAADHN Cc1ncncc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001438972403 891250267 /nfs/dbraw/zinc/25/02/67/891250267.db2.gz QDNSBZBGFHITRL-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN CC[C@H](SC)C(=O)NC[C@H](O)CNCC(=O)NC ZINC001438974831 891250327 /nfs/dbraw/zinc/25/03/27/891250327.db2.gz AXZCRUQZPJGNAJ-BDAKNGLRSA-N 0 3 277.390 -1.059 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CNC(=O)OC ZINC001438974088 891250525 /nfs/dbraw/zinc/25/05/25/891250525.db2.gz WDMRCQICXRJHED-SFYZADRCSA-N 0 3 290.320 -2.456 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CCn1cncn1 ZINC001438975646 891250668 /nfs/dbraw/zinc/25/06/68/891250668.db2.gz VZVGTLPVQKLPMU-UWVGGRQHSA-N 0 3 298.347 -2.131 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cccn1C)C(N)=O ZINC001438976027 891251098 /nfs/dbraw/zinc/25/10/98/891251098.db2.gz WQFIJPGJUTVLBH-VHSXEESVSA-N 0 3 282.344 -1.031 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)SC ZINC001438979292 891251175 /nfs/dbraw/zinc/25/11/75/891251175.db2.gz WRJDDGSRDWUIQW-IUCAKERBSA-N 0 3 277.390 -1.059 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)c1 ZINC001438977653 891251506 /nfs/dbraw/zinc/25/15/06/891251506.db2.gz HRWDKIYKXMUAGH-NWDGAFQWSA-N 0 3 294.355 -1.064 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnsn1 ZINC001438971802 891251649 /nfs/dbraw/zinc/25/16/49/891251649.db2.gz HYCOVLNSIMSPST-BQBZGAKWSA-N 0 3 287.345 -1.647 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001438974027 891251823 /nfs/dbraw/zinc/25/18/23/891251823.db2.gz WARGSLVGCOCBPZ-ZJUUUORDSA-N 0 3 273.333 -1.822 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnsn1 ZINC001438975648 891252138 /nfs/dbraw/zinc/25/21/38/891252138.db2.gz PNWHJTVAXOEUBX-SSDOTTSWSA-N 0 3 287.345 -1.693 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CNC(=O)OC ZINC001438974089 891252354 /nfs/dbraw/zinc/25/23/54/891252354.db2.gz WDMRCQICXRJHED-YUMQZZPRSA-N 0 3 290.320 -2.456 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)ncn1 ZINC001438981859 891253201 /nfs/dbraw/zinc/25/32/01/891253201.db2.gz OUELCYWHLBZBPG-RKDXNWHRSA-N 0 3 281.316 -1.661 20 0 CAADHN Cc1ccnc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)n1 ZINC001438981234 891253323 /nfs/dbraw/zinc/25/33/23/891253323.db2.gz ODBXTIGZNNHGJI-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1coc(C)n1 ZINC001438981102 891253415 /nfs/dbraw/zinc/25/34/15/891253415.db2.gz HWLQPEVRDYNMGY-VIFPVBQESA-N 0 3 284.316 -1.201 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)[nH]1 ZINC001438986440 891253563 /nfs/dbraw/zinc/25/35/63/891253563.db2.gz SHFZSAMDCOSWCM-SNVBAGLBSA-N 0 3 295.343 -1.323 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001438979864 891253598 /nfs/dbraw/zinc/25/35/98/891253598.db2.gz KODIZAKUBPMHOC-WPRPVWTQSA-N 0 3 298.347 -1.956 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)C1 ZINC001438980036 891253665 /nfs/dbraw/zinc/25/36/65/891253665.db2.gz LBRVLQNHXQPYIG-XCBNKYQSSA-N 0 3 286.332 -2.595 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001438987398 891253699 /nfs/dbraw/zinc/25/36/99/891253699.db2.gz WMQLXLVDMMEXTK-VIFPVBQESA-N 0 3 298.347 -1.980 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001438983892 891253883 /nfs/dbraw/zinc/25/38/83/891253883.db2.gz QIURRIZFBSHJIF-SECBINFHSA-N 0 3 296.327 -1.444 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CCn1ccnn1 ZINC001438979839 891254535 /nfs/dbraw/zinc/25/45/35/891254535.db2.gz KMICFNNFTLAFID-ZJUUUORDSA-N 0 3 298.347 -2.131 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C1=COCCC1 ZINC001438979471 891254826 /nfs/dbraw/zinc/25/48/26/891254826.db2.gz GXPAXADSMOSBQG-KOLCDFICSA-N 0 3 285.344 -1.118 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CC(C)(C)O ZINC001438981541 891255483 /nfs/dbraw/zinc/25/54/83/891255483.db2.gz PATRRISJAJHROP-BDAKNGLRSA-N 0 3 275.349 -1.651 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1nccc(C)n1 ZINC001438980338 891256164 /nfs/dbraw/zinc/25/61/64/891256164.db2.gz LVYCCUUUIKUFAV-SECBINFHSA-N 0 3 281.316 -1.789 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001438983527 891256445 /nfs/dbraw/zinc/25/64/45/891256445.db2.gz SXRQOJJHBIVAIQ-DTWKUNHWSA-N 0 3 283.332 -1.765 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1nccc(C)n1 ZINC001438980358 891256714 /nfs/dbraw/zinc/25/67/14/891256714.db2.gz LVYCCUUUIKUFAV-VIFPVBQESA-N 0 3 281.316 -1.789 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H](O)C(C)C ZINC001438983148 891256827 /nfs/dbraw/zinc/25/68/27/891256827.db2.gz LPRAFFQYQWTWEV-MWLCHTKSSA-N 0 3 275.349 -1.794 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001438983965 891257058 /nfs/dbraw/zinc/25/70/58/891257058.db2.gz QIURRIZFBSHJIF-VIFPVBQESA-N 0 3 296.327 -1.444 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001438993141 891257973 /nfs/dbraw/zinc/25/79/73/891257973.db2.gz LCGRUKRRDRMZGG-IUCAKERBSA-N 0 3 283.332 -1.717 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001438987457 891258583 /nfs/dbraw/zinc/25/85/83/891258583.db2.gz VZBREECFZUKCSX-HTQZYQBOSA-N 0 3 272.305 -2.922 20 0 CAADHN CCc1nc(C(=O)NC[C@@H](O)CNCC(=O)NC)co1 ZINC001438987612 891258810 /nfs/dbraw/zinc/25/88/10/891258810.db2.gz YEDKGJYMNFFGIE-QMMMGPOBSA-N 0 3 284.316 -1.337 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001438997732 891258846 /nfs/dbraw/zinc/25/88/46/891258846.db2.gz PXINCZNBUDHALF-SNVBAGLBSA-N 0 3 297.359 -1.138 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001439001354 891259173 /nfs/dbraw/zinc/25/91/73/891259173.db2.gz MKVBVYCVYBJHHG-QMMMGPOBSA-N 0 3 295.343 -1.675 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001438996479 891259504 /nfs/dbraw/zinc/25/95/04/891259504.db2.gz PEJCWOSIUJCXLC-JGVFFNPUSA-N 0 3 279.287 -1.156 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1ccncn1)C(N)=O ZINC001438991588 891259540 /nfs/dbraw/zinc/25/95/40/891259540.db2.gz QAWCCAXFYFYAEV-ONGXEEELSA-N 0 3 295.343 -1.650 20 0 CAADHN CC[C@H](F)CNC[C@@H](O)CNC(=O)CNC(=O)NC ZINC001438999813 891259572 /nfs/dbraw/zinc/25/95/72/891259572.db2.gz SHXACPRDRUENMP-DTWKUNHWSA-N 0 3 278.328 -1.270 20 0 CAADHN CCc1c[nH]c(CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001438989658 891260092 /nfs/dbraw/zinc/26/00/92/891260092.db2.gz CCVHSUIWAITQFS-WCBMZHEXSA-N 0 3 297.359 -1.545 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](O)CNCc1ccns1 ZINC001438990447 891260586 /nfs/dbraw/zinc/26/05/86/891260586.db2.gz KTLLWSLVWKIHJG-MRVPVSSYSA-N 0 3 297.344 -1.604 20 0 CAADHN CCc1nc(C(=O)NC[C@H](O)CNCC(=O)NC)co1 ZINC001438987512 891260740 /nfs/dbraw/zinc/26/07/40/891260740.db2.gz YEDKGJYMNFFGIE-MRVPVSSYSA-N 0 3 284.316 -1.337 20 0 CAADHN CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001438995822 891260866 /nfs/dbraw/zinc/26/08/66/891260866.db2.gz VCXRNCLSFLSSHP-KKZNHRDASA-N 0 3 273.333 -1.647 20 0 CAADHN CN1CCC[C@@H](NC[C@H](O)CNC(=O)c2ncc[nH]2)C1=O ZINC001438989653 891261087 /nfs/dbraw/zinc/26/10/87/891261087.db2.gz BFCUFIVLNFEYAJ-VHSXEESVSA-N 0 3 295.343 -1.289 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001438993135 891261201 /nfs/dbraw/zinc/26/12/01/891261201.db2.gz LCGRUKRRDRMZGG-BDAKNGLRSA-N 0 3 283.332 -1.717 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnc(C2CC2)o1 ZINC001438989204 891261269 /nfs/dbraw/zinc/26/12/69/891261269.db2.gz BEMDTABIIDVUOV-MRVPVSSYSA-N 0 3 282.300 -1.282 20 0 CAADHN CCn1ccc(CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001438988350 891261550 /nfs/dbraw/zinc/26/15/50/891261550.db2.gz BVZXFOPUPKZGRX-ONGXEEELSA-N 0 3 297.359 -1.614 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001438993145 891261629 /nfs/dbraw/zinc/26/16/29/891261629.db2.gz LCGRUKRRDRMZGG-RKDXNWHRSA-N 0 3 283.332 -1.717 20 0 CAADHN CN1CCCC[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001438997945 891261761 /nfs/dbraw/zinc/26/17/61/891261761.db2.gz IJQVWIYBPGQZNY-NXEZZACHSA-N 0 3 272.349 -1.977 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001438992087 891262069 /nfs/dbraw/zinc/26/20/69/891262069.db2.gz HNENFVGZVQADCK-MWLCHTKSSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001439009729 891262872 /nfs/dbraw/zinc/26/28/72/891262872.db2.gz FSGDNKBLLSLGCV-JGVFFNPUSA-N 0 3 299.331 -2.060 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)n1 ZINC001439013362 891263207 /nfs/dbraw/zinc/26/32/07/891263207.db2.gz MPQRXCXYXLOZIG-MRVPVSSYSA-N 0 3 297.319 -2.831 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)NC1=O ZINC001439011916 891263337 /nfs/dbraw/zinc/26/33/37/891263337.db2.gz KGKQOXUOTISOGR-BQBZGAKWSA-N 0 3 273.293 -3.438 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001439008259 891263415 /nfs/dbraw/zinc/26/34/15/891263415.db2.gz BIQXHFUSMJAROK-MWLCHTKSSA-N 0 3 297.359 -1.502 20 0 CAADHN O=C(CCc1ccon1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001439014508 891263454 /nfs/dbraw/zinc/26/34/54/891263454.db2.gz WKQVISGFVWUPNI-GHMZBOCLSA-N 0 3 296.327 -1.438 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001439008257 891263586 /nfs/dbraw/zinc/26/35/86/891263586.db2.gz BIQXHFUSMJAROK-GXSJLCMTSA-N 0 3 297.359 -1.502 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@]1(F)CCOC1 ZINC001439016453 891263896 /nfs/dbraw/zinc/26/38/96/891263896.db2.gz PNKAWVONTWVASP-KWQFWETISA-N 0 3 277.296 -2.072 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1c(C)cnn1C)C(N)=O ZINC001439009798 891263977 /nfs/dbraw/zinc/26/39/77/891263977.db2.gz GFHHKUMVEUXPNU-ZJUUUORDSA-N 0 3 297.359 -1.327 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1 ZINC001439018675 891264300 /nfs/dbraw/zinc/26/43/00/891264300.db2.gz WQZATACXQRPGTB-RQJHMYQMSA-N 0 3 283.292 -3.221 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)c2nnn(C)n2)cn1 ZINC001439017366 891264660 /nfs/dbraw/zinc/26/46/60/891264660.db2.gz UWGPMRLENXDNLH-SECBINFHSA-N 0 3 294.319 -2.176 20 0 CAADHN COc1nccc(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001439007699 891264897 /nfs/dbraw/zinc/26/48/97/891264897.db2.gz KZEPNXYXJCLXSB-ZETCQYMHSA-N 0 3 283.288 -2.349 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cn2cccnc2n1 ZINC001439004747 891265092 /nfs/dbraw/zinc/26/50/92/891265092.db2.gz VIJCMNSJWGLJSO-QMMMGPOBSA-N 0 3 292.299 -2.105 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1nc(C)no1 ZINC001439019767 891265432 /nfs/dbraw/zinc/26/54/32/891265432.db2.gz OLBZPJHSXXKMGP-VIFPVBQESA-N 0 3 299.331 -1.877 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)CC1 ZINC001439016043 891265829 /nfs/dbraw/zinc/26/58/29/891265829.db2.gz ZFGZWGLOEYSHCH-MNOVXSKESA-N 0 3 299.371 -1.242 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001439012397 891265877 /nfs/dbraw/zinc/26/58/77/891265877.db2.gz MCGBGDKKPGSFIC-MRVPVSSYSA-N 0 3 299.331 -2.106 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](OC)C(C)C ZINC001439024401 891267680 /nfs/dbraw/zinc/26/76/80/891267680.db2.gz IBHSIURLMBSXCL-MWLCHTKSSA-N 0 3 275.349 -1.530 20 0 CAADHN Cc1cnc(C(=O)NC[C@H](O)CNCC(N)=O)c(C)c1 ZINC001439013515 891266455 /nfs/dbraw/zinc/26/64/55/891266455.db2.gz LLINGCRTRKUTJH-SNVBAGLBSA-N 0 3 280.328 -1.136 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)nn1 ZINC001439029127 891267445 /nfs/dbraw/zinc/26/74/45/891267445.db2.gz BWZSTEZJMVIIOJ-IUCAKERBSA-N 0 3 296.331 -2.133 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1cscn1)C(N)=O ZINC001439030401 891268020 /nfs/dbraw/zinc/26/80/20/891268020.db2.gz FTIPZBATQQXFTE-VXNVDRBHSA-N 0 3 286.357 -1.374 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnco1 ZINC001439024164 891268378 /nfs/dbraw/zinc/26/83/78/891268378.db2.gz ZABGBDQTYKKSQB-JGVFFNPUSA-N 0 3 270.289 -1.511 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1cnoc1 ZINC001439027137 891268308 /nfs/dbraw/zinc/26/83/08/891268308.db2.gz WWTCBHZZIJNFIA-SCZZXKLOSA-N 0 3 284.316 -1.582 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001439025843 891268354 /nfs/dbraw/zinc/26/83/54/891268354.db2.gz LSYHFUFCURQYDN-SFYZADRCSA-N 0 3 270.289 -1.463 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CN(C)C(C)=O ZINC001439196036 891287995 /nfs/dbraw/zinc/28/79/95/891287995.db2.gz SSZWFIMAOIFWGZ-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cccc2n[nH]cc21 ZINC001439020034 891268599 /nfs/dbraw/zinc/26/85/99/891268599.db2.gz PEBSMYQOTGDWAV-MRVPVSSYSA-N 0 3 291.311 -1.272 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001439025844 891268968 /nfs/dbraw/zinc/26/89/68/891268968.db2.gz LSYHFUFCURQYDN-YUMQZZPRSA-N 0 3 270.289 -1.463 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CNCC(N)=O)CCC1 ZINC001439021900 891269003 /nfs/dbraw/zinc/26/90/03/891269003.db2.gz ZHDXJYWNAZJBJW-VIFPVBQESA-N 0 3 273.333 -1.645 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnco1 ZINC001439024163 891269078 /nfs/dbraw/zinc/26/90/78/891269078.db2.gz ZABGBDQTYKKSQB-HTQZYQBOSA-N 0 3 270.289 -1.511 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1conc1C ZINC001439022749 891269245 /nfs/dbraw/zinc/26/92/45/891269245.db2.gz FUPAPCXIKKYSQX-IUCAKERBSA-N 0 3 284.316 -1.202 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](OC)C(C)C ZINC001439024402 891269474 /nfs/dbraw/zinc/26/94/74/891269474.db2.gz IBHSIURLMBSXCL-ONGXEEELSA-N 0 3 275.349 -1.530 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001439027904 891269587 /nfs/dbraw/zinc/26/95/87/891269587.db2.gz CGBAFSGAQRRYDA-JGVFFNPUSA-N 0 3 284.316 -1.952 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)cn1 ZINC001439028531 891269638 /nfs/dbraw/zinc/26/96/38/891269638.db2.gz ZTYDFZAVFSPDOE-WUHRBBMRSA-N 0 3 294.355 -1.121 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001439025607 891269838 /nfs/dbraw/zinc/26/98/38/891269838.db2.gz GEZFDYYRQRITEK-NSHDSACASA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001439023405 891270261 /nfs/dbraw/zinc/27/02/61/891270261.db2.gz KQLLEUUAFCJKOZ-LADJIXMOSA-N 0 3 285.344 -1.920 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cncc(C)c1 ZINC001439023147 891270350 /nfs/dbraw/zinc/27/03/50/891270350.db2.gz WSFGJQVYCDGFEN-GFCCVEGCSA-N 0 3 294.355 -1.255 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]c(C)cc1=O ZINC001439030543 891270765 /nfs/dbraw/zinc/27/07/65/891270765.db2.gz FJOPKMQWWIVCQI-SECBINFHSA-N 0 3 296.327 -1.890 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1cnoc1)C(N)=O ZINC001439027814 891270896 /nfs/dbraw/zinc/27/08/96/891270896.db2.gz YHKBAPHJUGVAIE-CBAPKCEASA-N 0 3 270.289 -1.842 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnco1 ZINC001439024166 891271158 /nfs/dbraw/zinc/27/11/58/891271158.db2.gz ZABGBDQTYKKSQB-SFYZADRCSA-N 0 3 270.289 -1.511 20 0 CAADHN CCn1nc(C)cc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001439028779 891271291 /nfs/dbraw/zinc/27/12/91/891271291.db2.gz FIQAOXUVYIQDRD-VHSXEESVSA-N 0 3 297.359 -1.234 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cccc2n[nH]cc21 ZINC001439020041 891271331 /nfs/dbraw/zinc/27/13/31/891271331.db2.gz PEBSMYQOTGDWAV-QMMMGPOBSA-N 0 3 291.311 -1.272 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1cnoc1 ZINC001439027144 891271391 /nfs/dbraw/zinc/27/13/91/891271391.db2.gz WWTCBHZZIJNFIA-WPRPVWTQSA-N 0 3 284.316 -1.582 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC)nn1 ZINC001439031717 891272055 /nfs/dbraw/zinc/27/20/55/891272055.db2.gz IMJVDRPGDMSIEH-IUCAKERBSA-N 0 3 298.347 -1.887 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1 ZINC001439033977 891272407 /nfs/dbraw/zinc/27/24/07/891272407.db2.gz QFDDPFSFEYDFPP-YUMQZZPRSA-N 0 3 282.304 -2.616 20 0 CAADHN CN1CCC[C@@H](NC[C@@H](O)CNC(=O)c2cnon2)C1=O ZINC001439037797 891272479 /nfs/dbraw/zinc/27/24/79/891272479.db2.gz GAUXTQHMLKPPSD-RKDXNWHRSA-N 0 3 297.315 -1.629 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ncccn1 ZINC001439044193 891272754 /nfs/dbraw/zinc/27/27/54/891272754.db2.gz SIJSCJVXARRTGJ-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1nonc1C ZINC001439038811 891272835 /nfs/dbraw/zinc/27/28/35/891272835.db2.gz ZHUFBFOZGBTQNU-QMMMGPOBSA-N 0 3 285.304 -2.267 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001439039935 891272964 /nfs/dbraw/zinc/27/29/64/891272964.db2.gz CDDNDAOVHXZGLV-DTWKUNHWSA-N 0 3 283.332 -1.765 20 0 CAADHN CCn1ncnc1CNC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001439046447 891273160 /nfs/dbraw/zinc/27/31/60/891273160.db2.gz WYSZLKQUMYAEJK-MRVPVSSYSA-N 0 3 294.319 -1.703 20 0 CAADHN CCn1ncnc1CNC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001439046447 891273173 /nfs/dbraw/zinc/27/31/73/891273173.db2.gz WYSZLKQUMYAEJK-MRVPVSSYSA-N 0 3 294.319 -1.703 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001439035678 891273223 /nfs/dbraw/zinc/27/32/23/891273223.db2.gz SIXOBCQSIXKIHB-GRYCIOLGSA-N 0 3 292.339 -1.263 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccc2c(c1)CCO2 ZINC001439034510 891273513 /nfs/dbraw/zinc/27/35/13/891273513.db2.gz PMPRFMBYAFUHPP-LLVKDONJSA-N 0 3 293.323 -1.213 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001439033952 891273780 /nfs/dbraw/zinc/27/37/80/891273780.db2.gz QFDDPFSFEYDFPP-HTQZYQBOSA-N 0 3 282.304 -2.616 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001439031555 891273813 /nfs/dbraw/zinc/27/38/13/891273813.db2.gz LCNRTOOTHMYVAY-DTWKUNHWSA-N 0 3 286.332 -2.532 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC)nn1 ZINC001439031710 891274400 /nfs/dbraw/zinc/27/44/00/891274400.db2.gz IMJVDRPGDMSIEH-BDAKNGLRSA-N 0 3 298.347 -1.887 20 0 CAADHN CC1(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)CCOCC1 ZINC001439032484 891274442 /nfs/dbraw/zinc/27/44/42/891274442.db2.gz MQJLERVOHMCGIK-GHMZBOCLSA-N 0 3 299.371 -1.242 20 0 CAADHN CC1(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)CCOCC1 ZINC001439032489 891274858 /nfs/dbraw/zinc/27/48/58/891274858.db2.gz MQJLERVOHMCGIK-MNOVXSKESA-N 0 3 299.371 -1.242 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)CCOC1 ZINC001439034508 891275081 /nfs/dbraw/zinc/27/50/81/891275081.db2.gz NLQUVLDURUSSJI-BXUZGUMPSA-N 0 3 299.371 -1.288 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)nn1 ZINC001439037461 891275108 /nfs/dbraw/zinc/27/51/08/891275108.db2.gz VBPXSUAROSZTKC-JGVFFNPUSA-N 0 3 284.320 -2.148 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1nonc1C ZINC001439038810 891275337 /nfs/dbraw/zinc/27/53/37/891275337.db2.gz ZHUFBFOZGBTQNU-MRVPVSSYSA-N 0 3 285.304 -2.267 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1ccccc1F ZINC001439048440 891277284 /nfs/dbraw/zinc/27/72/84/891277284.db2.gz DNWHMXFMKHLSRL-JTQLQIEISA-N 0 3 283.303 -1.080 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CNC(=O)c2cnon2)C1=O ZINC001439040094 891275798 /nfs/dbraw/zinc/27/57/98/891275798.db2.gz LYIOSTKYNIREGN-DTWKUNHWSA-N 0 3 297.315 -1.629 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001439045808 891275976 /nfs/dbraw/zinc/27/59/76/891275976.db2.gz OTOSCYQFYVYQMN-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)CCOCC1 ZINC001439032492 891276219 /nfs/dbraw/zinc/27/62/19/891276219.db2.gz MQJLERVOHMCGIK-QWRGUYRKSA-N 0 3 299.371 -1.242 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCc2nncn2C1 ZINC001439056973 891276818 /nfs/dbraw/zinc/27/68/18/891276818.db2.gz PJZOMMSLHWSRBT-DTWKUNHWSA-N 0 3 296.331 -2.608 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cn1ccnc1C ZINC001439061853 891276871 /nfs/dbraw/zinc/27/68/71/891276871.db2.gz SLTBIQNXSQKWCB-MWLCHTKSSA-N 0 3 297.359 -1.607 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)no1 ZINC001439049164 891277206 /nfs/dbraw/zinc/27/72/06/891277206.db2.gz RVRBNQDNKORXSQ-YUMQZZPRSA-N 0 3 284.316 -1.209 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)no1 ZINC001439049158 891277504 /nfs/dbraw/zinc/27/75/04/891277504.db2.gz RVRBNQDNKORXSQ-HTQZYQBOSA-N 0 3 284.316 -1.209 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cn1ccnc1C ZINC001439052350 891277721 /nfs/dbraw/zinc/27/77/21/891277721.db2.gz GRDBKLXNOKDOTH-NSHDSACASA-N 0 3 297.359 -1.606 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001439049136 891278487 /nfs/dbraw/zinc/27/84/87/891278487.db2.gz ZDRSNVGQLPLXLL-QMMMGPOBSA-N 0 3 283.332 -1.602 20 0 CAADHN C[C@@H](Oc1ccccn1)C(=O)NC[C@H](O)CNCC(N)=O ZINC001439046815 891278554 /nfs/dbraw/zinc/27/85/54/891278554.db2.gz KQRUIPRWAIENJW-NXEZZACHSA-N 0 3 296.327 -1.599 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C(C)(C)c1c[nH]cn1)C(N)=O ZINC001439050958 891278589 /nfs/dbraw/zinc/27/85/89/891278589.db2.gz XBZKLSNDWDCPIH-BDAKNGLRSA-N 0 3 297.359 -1.372 20 0 CAADHN Cc1cnn(CCC(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001439060207 891278998 /nfs/dbraw/zinc/27/89/98/891278998.db2.gz UKOBKNNAYGHJHN-SNVBAGLBSA-N 0 3 283.332 -1.866 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001439050228 891279090 /nfs/dbraw/zinc/27/90/90/891279090.db2.gz GSVMNDIUZYNGLV-ZJUUUORDSA-N 0 3 295.343 -1.371 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccnc(C)n1 ZINC001439063104 891279386 /nfs/dbraw/zinc/27/93/86/891279386.db2.gz USONKKBOVGADCO-PSASIEDQSA-N 0 3 295.343 -1.400 20 0 CAADHN CCc1ncc(C(=O)NC[C@@H](O)CNCC(N)=O)s1 ZINC001439067975 891279556 /nfs/dbraw/zinc/27/95/56/891279556.db2.gz YXEQZBDXAVRGDO-ZETCQYMHSA-N 0 3 286.357 -1.129 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1cncn1C ZINC001439049127 891279745 /nfs/dbraw/zinc/27/97/45/891279745.db2.gz RLKFVYRPBMDCTA-MWLCHTKSSA-N 0 3 297.359 -1.836 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CNCC(=O)NC(C)C ZINC001439057733 891279798 /nfs/dbraw/zinc/27/97/98/891279798.db2.gz SECOGNKWSRRCQX-JTQLQIEISA-N 0 3 297.359 -1.077 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CCNC1=O ZINC001439070067 891279826 /nfs/dbraw/zinc/27/98/26/891279826.db2.gz JJAVHNIDHZPIOY-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001439080932 891280056 /nfs/dbraw/zinc/28/00/56/891280056.db2.gz FASOKMFVPWQPEL-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H](C)NC(N)=O ZINC001439068669 891280265 /nfs/dbraw/zinc/28/02/65/891280265.db2.gz CJDRNTJVJNZKSA-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](O)CNCc1cn(C)nn1 ZINC001439050077 891280558 /nfs/dbraw/zinc/28/05/58/891280558.db2.gz DELNHLRGTCFZKP-GFCCVEGCSA-N 0 3 298.391 -1.278 20 0 CAADHN C[C@H](Oc1ccccn1)C(=O)NC[C@H](O)CNCC(N)=O ZINC001439046827 891280813 /nfs/dbraw/zinc/28/08/13/891280813.db2.gz KQRUIPRWAIENJW-VHSXEESVSA-N 0 3 296.327 -1.599 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001439055623 891281276 /nfs/dbraw/zinc/28/12/76/891281276.db2.gz KDVUNCIEKQDBTE-VIFPVBQESA-N 0 3 297.315 -1.709 20 0 CAADHN Cc1ccc(OCC(=O)NC[C@H](O)CNCC(N)=O)cc1 ZINC001439053220 891281305 /nfs/dbraw/zinc/28/13/05/891281305.db2.gz OIHPMRSPKJCNEJ-LLVKDONJSA-N 0 3 295.339 -1.074 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)no1 ZINC001439049163 891281334 /nfs/dbraw/zinc/28/13/34/891281334.db2.gz RVRBNQDNKORXSQ-SFYZADRCSA-N 0 3 284.316 -1.209 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001439130685 891282064 /nfs/dbraw/zinc/28/20/64/891282064.db2.gz OHPBHAZUQYJFFC-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001439114558 891281746 /nfs/dbraw/zinc/28/17/46/891281746.db2.gz LHHVWDTVZMADEZ-MRVPVSSYSA-N 0 3 285.348 -1.712 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1COC(=O)N1 ZINC001439098249 891281954 /nfs/dbraw/zinc/28/19/54/891281954.db2.gz BYBOOGIVEOPGBK-APPZFPTMSA-N 0 3 284.316 -1.532 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1COC(=O)N1 ZINC001439098257 891281987 /nfs/dbraw/zinc/28/19/87/891281987.db2.gz BYBOOGIVEOPGBK-VXNVDRBHSA-N 0 3 284.316 -1.532 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001439108422 891282048 /nfs/dbraw/zinc/28/20/48/891282048.db2.gz CYOZEUKSORYSKK-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)CN1CCCC1=O ZINC001439087652 891282202 /nfs/dbraw/zinc/28/22/02/891282202.db2.gz GXRAXZAIRUNOKH-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cn[nH]c1 ZINC001439092133 891282347 /nfs/dbraw/zinc/28/23/47/891282347.db2.gz DKGHSUNUMKXAGW-SSDOTTSWSA-N 0 3 282.304 -1.427 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CCn1cnnn1 ZINC001439084930 891282652 /nfs/dbraw/zinc/28/26/52/891282652.db2.gz RDFIPISCYJCLLO-SECBINFHSA-N 0 3 283.336 -1.625 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cn2cccnc2n1 ZINC001439123012 891282780 /nfs/dbraw/zinc/28/27/80/891282780.db2.gz FPODJXRGXGKVQY-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H](C)NC(N)=O ZINC001439104702 891282840 /nfs/dbraw/zinc/28/28/40/891282840.db2.gz ZXZLOJCFUAPUPX-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CCn1cnnn1 ZINC001439084932 891283150 /nfs/dbraw/zinc/28/31/50/891283150.db2.gz RDFIPISCYJCLLO-VIFPVBQESA-N 0 3 283.336 -1.625 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001439126142 891283645 /nfs/dbraw/zinc/28/36/45/891283645.db2.gz KLRXPRXCJQOGKH-HTQZYQBOSA-N 0 3 277.346 -1.999 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1cnccn1 ZINC001439087587 891283325 /nfs/dbraw/zinc/28/33/25/891283325.db2.gz UMUSOMPFFGQYIK-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CNCC(=O)N2CCC2)C1 ZINC001439102915 891283549 /nfs/dbraw/zinc/28/35/49/891283549.db2.gz UGWDWKKCGIIYBF-SNVBAGLBSA-N 0 3 296.371 -1.209 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H](C)CNCC(N)=O ZINC001439114532 891283874 /nfs/dbraw/zinc/28/38/74/891283874.db2.gz CRAOWWKPBXQFTR-MRVPVSSYSA-N 0 3 274.321 -2.329 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001439094552 891284223 /nfs/dbraw/zinc/28/42/23/891284223.db2.gz GIIXZMUETCBKSS-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001439130691 891284020 /nfs/dbraw/zinc/28/40/20/891284020.db2.gz OHPBHAZUQYJFFC-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)CN1CCCC1=O ZINC001439087675 891284175 /nfs/dbraw/zinc/28/41/75/891284175.db2.gz HOXYYWHQIIHPJG-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN C[C@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)[C@H](C)NC(N)=O ZINC001439099073 891284244 /nfs/dbraw/zinc/28/42/44/891284244.db2.gz IHDSFHOJFRLNJF-KXUCPTDWSA-N 0 3 299.375 -1.242 20 0 CAADHN CCN1C[C@H](C(=O)N[C@H](C)CNCC(=O)NC)CC1=O ZINC001439113794 891284453 /nfs/dbraw/zinc/28/44/53/891284453.db2.gz AKSLAKWWNQQTHA-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cncn1C ZINC001439122964 891284543 /nfs/dbraw/zinc/28/45/43/891284543.db2.gz HJLHSOPIDWDUGE-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@H](CN[C@H]1CCCN(C)C1=O)NC(=O)[C@H](C)NC(N)=O ZINC001439099077 891284734 /nfs/dbraw/zinc/28/47/34/891284734.db2.gz IHDSFHOJFRLNJF-UTLUCORTSA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H](C)n1cccn1 ZINC001439093025 891284884 /nfs/dbraw/zinc/28/48/84/891284884.db2.gz JKNRVSPJKVMZDO-RKDXNWHRSA-N 0 3 296.331 -1.267 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001439085859 891284963 /nfs/dbraw/zinc/28/49/63/891284963.db2.gz DSNMAMNAYLAUFZ-SCZZXKLOSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1COC(=O)N1 ZINC001439098577 891285086 /nfs/dbraw/zinc/28/50/86/891285086.db2.gz DAUFETBKBSLODH-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001439082077 891285238 /nfs/dbraw/zinc/28/52/38/891285238.db2.gz WCNYMQKSYMXZTM-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CO[C@@H](C)C(=O)N[C@H](C)CNCC(=O)N1CCOCC1 ZINC001439094091 891285482 /nfs/dbraw/zinc/28/54/82/891285482.db2.gz UJCULGWSPVOIQP-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1ccc(=O)[nH]n1 ZINC001439096729 891285519 /nfs/dbraw/zinc/28/55/19/891285519.db2.gz PTYLUKXGQDUTOJ-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CNC(=O)C1CC1 ZINC001439096155 891285951 /nfs/dbraw/zinc/28/59/51/891285951.db2.gz ZFMUKAHLKINWCU-SCZZXKLOSA-N 0 3 282.344 -1.505 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)Cn1cncn1)C(N)=O ZINC001439085313 891285657 /nfs/dbraw/zinc/28/56/57/891285657.db2.gz QKCOKCYHBVEOBV-SNVBAGLBSA-N 0 3 282.348 -1.020 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)Cn1cnnn1 ZINC001439189990 891286540 /nfs/dbraw/zinc/28/65/40/891286540.db2.gz WAWQUGVELUTFGZ-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)c1nnn(C)n1 ZINC001439138028 891286568 /nfs/dbraw/zinc/28/65/68/891286568.db2.gz BIXLDESWLUSXTL-MRVPVSSYSA-N 0 3 297.363 -1.167 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)n[nH]1 ZINC001439167216 891286958 /nfs/dbraw/zinc/28/69/58/891286958.db2.gz LEWOMTOUUVLXBA-APPZFPTMSA-N 0 3 280.332 -1.014 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001439187194 891287023 /nfs/dbraw/zinc/28/70/23/891287023.db2.gz ATUZMOUPTOAZKQ-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN1CCC(=O)NC1=O ZINC001439175460 891287086 /nfs/dbraw/zinc/28/70/86/891287086.db2.gz SZVKXVXXYTVVNT-SSDOTTSWSA-N 0 3 285.304 -2.492 20 0 CAADHN CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001439168722 891287417 /nfs/dbraw/zinc/28/74/17/891287417.db2.gz FOVGHIRZRWUVQF-NOZJJQNGSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN[C@H](C)c1nnnn1C)NC(=O)c1nc[nH]n1 ZINC001439162761 891287640 /nfs/dbraw/zinc/28/76/40/891287640.db2.gz VBULGZYFBBEHDV-RNFRBKRXSA-N 0 3 279.308 -1.203 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001439152231 891288075 /nfs/dbraw/zinc/28/80/75/891288075.db2.gz AGIHROFHYYMBFK-RQJHMYQMSA-N 0 3 280.350 -2.496 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001439189266 891288626 /nfs/dbraw/zinc/28/86/26/891288626.db2.gz RNOLDDXKUYJQST-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cccc(C(N)=O)n1 ZINC001439185580 891288663 /nfs/dbraw/zinc/28/86/63/891288663.db2.gz VVDCVLXNLQHLRZ-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001439166358 891288818 /nfs/dbraw/zinc/28/88/18/891288818.db2.gz DIAGFDQZBRQNGQ-SFYZADRCSA-N 0 3 296.331 -2.019 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001439189268 891288915 /nfs/dbraw/zinc/28/89/15/891288915.db2.gz RNOLDDXKUYJQST-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001439193093 891288982 /nfs/dbraw/zinc/28/89/82/891288982.db2.gz FRFIHQGIKKHANO-IVZWLZJFSA-N 0 3 282.344 -1.410 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001439145315 891289541 /nfs/dbraw/zinc/28/95/41/891289541.db2.gz QHCHDZILRQQEPM-VFCFLDTKSA-N 0 3 298.343 -1.444 20 0 CAADHN C[C@H](CN[C@@H](C)c1nnnn1C)NC(=O)c1nc[nH]n1 ZINC001439162762 891289592 /nfs/dbraw/zinc/28/95/92/891289592.db2.gz VBULGZYFBBEHDV-RQJHMYQMSA-N 0 3 279.308 -1.203 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001439165390 891289712 /nfs/dbraw/zinc/28/97/12/891289712.db2.gz ZTHKKWBCABPYHC-HTQZYQBOSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001439185943 891289929 /nfs/dbraw/zinc/28/99/29/891289929.db2.gz YCCDWUQKMSHHQZ-BDAKNGLRSA-N 0 3 295.343 -1.680 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)c1nnn(C)n1 ZINC001439138507 891290153 /nfs/dbraw/zinc/29/01/53/891290153.db2.gz GOVJWDQOZPNDDG-SSDOTTSWSA-N 0 3 281.320 -1.803 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)c1nnn(C)n1 ZINC001439140837 891290189 /nfs/dbraw/zinc/29/01/89/891290189.db2.gz SLDVIVWDGBZSFI-HTQZYQBOSA-N 0 3 295.347 -1.415 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001439192411 891290378 /nfs/dbraw/zinc/29/03/78/891290378.db2.gz DIAGFDQZBRQNGQ-JGVFFNPUSA-N 0 3 296.331 -2.019 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001439143263 891290499 /nfs/dbraw/zinc/29/04/99/891290499.db2.gz GUHKDFPQGZFVRF-REIXXSIJSA-N 0 3 295.343 -1.405 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)[C@@H]2CNC(=O)N2)n[nH]1 ZINC001439148177 891290598 /nfs/dbraw/zinc/29/05/98/891290598.db2.gz TWBVAFMBXQKKQQ-SVRRBLITSA-N 0 3 281.320 -1.611 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccc(=O)[nH]n1 ZINC001439186970 891290920 /nfs/dbraw/zinc/29/09/20/891290920.db2.gz FTVGJFMRGKZTRX-JGVFFNPUSA-N 0 3 279.300 -1.221 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ccnn1C ZINC001439203406 891291207 /nfs/dbraw/zinc/29/12/07/891291207.db2.gz XYPZBEJAEDURGN-QMMMGPOBSA-N 0 3 293.331 -1.250 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccn2nnnc2c1 ZINC001439237511 891291234 /nfs/dbraw/zinc/29/12/34/891291234.db2.gz IKTQDSXVLFLTRM-ZETCQYMHSA-N 0 3 277.288 -1.683 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CCS(C)(=O)=O ZINC001439220883 891291319 /nfs/dbraw/zinc/29/13/19/891291319.db2.gz KVEUTDUPLWNTDO-YUMQZZPRSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001439201492 891291503 /nfs/dbraw/zinc/29/15/03/891291503.db2.gz QLXLEPCCNUYSTK-DTWKUNHWSA-N 0 3 283.332 -1.261 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001439243153 891291595 /nfs/dbraw/zinc/29/15/95/891291595.db2.gz OMSJQWFXBZKXEQ-IUCAKERBSA-N 0 3 294.359 -1.500 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001439250621 891291842 /nfs/dbraw/zinc/29/18/42/891291842.db2.gz AZEDMRXOGNGYMB-VIFPVBQESA-N 0 3 282.348 -1.412 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CC1CS(=O)(=O)C1 ZINC001439228677 891292158 /nfs/dbraw/zinc/29/21/58/891292158.db2.gz YXTNSQGKFCFZQJ-YUMQZZPRSA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)C[C@@H]1CCNC1=O ZINC001439212489 891292432 /nfs/dbraw/zinc/29/24/32/891292432.db2.gz CZCDGZZGSLPFLQ-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001439224528 891292900 /nfs/dbraw/zinc/29/29/00/891292900.db2.gz WDQHBLMTJKDBIO-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CS(C)(=O)=O ZINC001439196895 891293261 /nfs/dbraw/zinc/29/32/61/891293261.db2.gz BCZUXCMWIFYPOI-YUMQZZPRSA-N 0 3 277.346 -1.986 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001439238520 891293468 /nfs/dbraw/zinc/29/34/68/891293468.db2.gz MHSKNSAKCBHGED-BDAKNGLRSA-N 0 3 272.349 -1.320 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CNCC(N)=O ZINC001439214924 891293825 /nfs/dbraw/zinc/29/38/25/891293825.db2.gz PAZXMJCLISOIHF-YUMQZZPRSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)Cn1ncnn1 ZINC001439241247 891294152 /nfs/dbraw/zinc/29/41/52/891294152.db2.gz PGBBBYRLATUEHP-VIFPVBQESA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cc(OC)ncn1 ZINC001439239240 891294214 /nfs/dbraw/zinc/29/42/14/891294214.db2.gz KFSMMAVTVKHUOI-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1nnn(C)c1C ZINC001439201721 891294644 /nfs/dbraw/zinc/29/46/44/891294644.db2.gz VICNYBKRUOBEHD-QMMMGPOBSA-N 0 3 282.348 -1.032 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC001439243152 891295284 /nfs/dbraw/zinc/29/52/84/891295284.db2.gz OMSJQWFXBZKXEQ-DTWKUNHWSA-N 0 3 294.359 -1.500 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CS(C)(=O)=O ZINC001439196887 891295484 /nfs/dbraw/zinc/29/54/84/891295484.db2.gz BCZUXCMWIFYPOI-JGVFFNPUSA-N 0 3 277.346 -1.986 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1nc(C)c[nH]1 ZINC001439262788 891296049 /nfs/dbraw/zinc/29/60/49/891296049.db2.gz ICHNRHBKXABPDJ-ZETCQYMHSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O)C(N)=O ZINC001439256133 891296329 /nfs/dbraw/zinc/29/63/29/891296329.db2.gz GIAGVQANERTJJY-JGVFFNPUSA-N 0 3 293.389 -1.222 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cnn(C)n1 ZINC001439262235 891298451 /nfs/dbraw/zinc/29/84/51/891298451.db2.gz MCYZZPNEASXURK-ZETCQYMHSA-N 0 3 297.319 -2.021 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001439289880 891298685 /nfs/dbraw/zinc/29/86/85/891298685.db2.gz UKWGIQMBIDWEDE-QMMMGPOBSA-N 0 3 283.332 -1.822 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)CCNC(N)=O ZINC001439280121 891299720 /nfs/dbraw/zinc/29/97/20/891299720.db2.gz UQNFVDKUJSYAIG-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001439256395 891300177 /nfs/dbraw/zinc/30/01/77/891300177.db2.gz IUDQPMSEZMNABE-DTWKUNHWSA-N 0 3 293.327 -1.292 20 0 CAADHN CCN1CCO[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001439292927 891300387 /nfs/dbraw/zinc/30/03/87/891300387.db2.gz IYMVUPDSLGEMOQ-VHSXEESVSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCN1CCOCC1 ZINC001439261667 891300420 /nfs/dbraw/zinc/30/04/20/891300420.db2.gz HPZCBZIWKQTSFG-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001439261310 891300466 /nfs/dbraw/zinc/30/04/66/891300466.db2.gz YDPTVJGHMLIMCF-YUMQZZPRSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@H]1CNC(=O)N1 ZINC001439259798 891300484 /nfs/dbraw/zinc/30/04/84/891300484.db2.gz TXAJOFRPGMDFOM-DTWKUNHWSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CCS(=O)(=O)N(C)C ZINC001439412078 891300994 /nfs/dbraw/zinc/30/09/94/891300994.db2.gz XSQGJCGANJXKBV-SNVBAGLBSA-N 0 3 295.405 -1.303 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CN1CCNC(=O)C1 ZINC001439359343 891302835 /nfs/dbraw/zinc/30/28/35/891302835.db2.gz ZFWXQWZTILRFIS-JTQLQIEISA-N 0 3 272.349 -2.153 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CN1CCNC(=O)C1 ZINC001439359346 891303380 /nfs/dbraw/zinc/30/33/80/891303380.db2.gz ZFWXQWZTILRFIS-SNVBAGLBSA-N 0 3 272.349 -2.153 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)CCNC(N)=O ZINC001439401711 891303745 /nfs/dbraw/zinc/30/37/45/891303745.db2.gz CZYGTDXLCOWPOD-SNVBAGLBSA-N 0 3 297.363 -1.227 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CN1CCCC1=O)C1CC1 ZINC001439442148 891304989 /nfs/dbraw/zinc/30/49/89/891304989.db2.gz TVHXTCJOQLQENG-SNVBAGLBSA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001439398984 891305197 /nfs/dbraw/zinc/30/51/97/891305197.db2.gz HMWDJDQEWRSFRN-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](NC(=O)Cn1cncn1)C1CC1 ZINC001439504471 891306622 /nfs/dbraw/zinc/30/66/22/891306622.db2.gz VIUNQULOHQRWOR-ONGXEEELSA-N 0 3 294.359 -1.103 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001439455092 891306721 /nfs/dbraw/zinc/30/67/21/891306721.db2.gz AYIVRQWDGULCSP-SECBINFHSA-N 0 3 281.320 -2.097 20 0 CAADHN COCC(=O)N[C@@H](C[NH2+]Cc1nc(=O)n(C)[n-]1)C1CC1 ZINC001439442593 891306870 /nfs/dbraw/zinc/30/68/70/891306870.db2.gz KGUSQICBTIFKFR-VIFPVBQESA-N 0 3 283.332 -1.261 20 0 CAADHN NC(=O)NCCC(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001439498554 891307450 /nfs/dbraw/zinc/30/74/50/891307450.db2.gz JWLXLMISQFXMKP-VHSXEESVSA-N 0 3 297.359 -1.582 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001439498556 891307948 /nfs/dbraw/zinc/30/79/48/891307948.db2.gz JWLXLMISQFXMKP-ZJUUUORDSA-N 0 3 297.359 -1.582 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H]1CCN1C(C)C ZINC001439538677 891307992 /nfs/dbraw/zinc/30/79/92/891307992.db2.gz MNWXKXMUYUHHOT-LLVKDONJSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)c1nnn(C)n1)C1CC1 ZINC001439472885 891308797 /nfs/dbraw/zinc/30/87/97/891308797.db2.gz ROCMXNKDASTUHD-VIFPVBQESA-N 0 3 295.347 -1.604 20 0 CAADHN CC[C@H](C(=O)NC[C@@H]1CCN1CC(=O)NC(N)=O)N(C)C ZINC001439572525 891310874 /nfs/dbraw/zinc/31/08/74/891310874.db2.gz MOHITXFEZBEYJO-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN O=C(NCC1(N[C@H]2CCCNC2=O)CC1)[C@H]1CCC(=O)N1 ZINC001439598447 891313205 /nfs/dbraw/zinc/31/32/05/891313205.db2.gz XKWVAMCSYYARAJ-ZJUUUORDSA-N 0 3 294.355 -1.218 20 0 CAADHN CC[C@H](NC1(CNC(=O)CN2CCOCC2)CC1)C(N)=O ZINC001439603876 891315320 /nfs/dbraw/zinc/31/53/20/891315320.db2.gz IRNNYGUQXLDWKZ-NSHDSACASA-N 0 3 298.387 -1.179 20 0 CAADHN CC(C)N1CC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001439560884 891315368 /nfs/dbraw/zinc/31/53/68/891315368.db2.gz PDBFAJCFOMLIBD-JTQLQIEISA-N 0 3 292.405 -1.019 20 0 CAADHN O=C(NCC1(N[C@@H]2CCCNC2=O)CC1)[C@H]1CCC(=O)N1 ZINC001439598446 891315672 /nfs/dbraw/zinc/31/56/72/891315672.db2.gz XKWVAMCSYYARAJ-NXEZZACHSA-N 0 3 294.355 -1.218 20 0 CAADHN NC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)c1cn[nH]c1 ZINC001439771525 891321513 /nfs/dbraw/zinc/32/15/13/891321513.db2.gz YFVCHCIMZNIULI-SECBINFHSA-N 0 3 294.315 -1.201 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CCCC1 ZINC001439819118 891321856 /nfs/dbraw/zinc/32/18/56/891321856.db2.gz UTMZIXGZNJKEAP-OUAUKWLOSA-N 0 3 296.371 -1.142 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1CN[C@H]1CCN(C)C1=O ZINC001439761702 891322256 /nfs/dbraw/zinc/32/22/56/891322256.db2.gz GRUOVDAGXYKZAC-RYUDHWBXSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H]1CN[C@@H]1CCN(C)C1=O ZINC001439761704 891322535 /nfs/dbraw/zinc/32/25/35/891322535.db2.gz GRUOVDAGXYKZAC-VXGBXAGGSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1CN[C@@H]1CCN(C)C1=O ZINC001439761699 891322646 /nfs/dbraw/zinc/32/26/46/891322646.db2.gz GRUOVDAGXYKZAC-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN COC[C@@H](OC)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001439782393 891322682 /nfs/dbraw/zinc/32/26/82/891322682.db2.gz KEJSWNGWDOGKFJ-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN COC[C@H](OC)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001439782385 891323329 /nfs/dbraw/zinc/32/33/29/891323329.db2.gz KEJSWNGWDOGKFJ-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cc2c[nH]cn2)CCOCC1 ZINC001439967872 891326882 /nfs/dbraw/zinc/32/68/82/891326882.db2.gz YSOLGWCMCORTGC-UHFFFAOYSA-N 0 3 295.343 -1.308 20 0 CAADHN Cn1nccc1C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001439948525 891327151 /nfs/dbraw/zinc/32/71/51/891327151.db2.gz ATLMCQPFVWHPEA-UHFFFAOYSA-N 0 3 295.343 -1.226 20 0 CAADHN Cn1nncc1C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001439957060 891328388 /nfs/dbraw/zinc/32/83/88/891328388.db2.gz UCHYOQIBDCGXBD-UHFFFAOYSA-N 0 3 296.331 -1.831 20 0 CAADHN CN1CCCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001439895836 891328832 /nfs/dbraw/zinc/32/88/32/891328832.db2.gz SNJSXMYFIKMXRZ-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN Cc1c(C(=O)NC[C@@]2(O)CCN(CCO)C2)nnn1C ZINC001439969775 891329517 /nfs/dbraw/zinc/32/95/17/891329517.db2.gz AKFVJOSHZMJRHA-LBPRGKRZSA-N 0 3 283.332 -1.718 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@@H]2COCCO2)C1 ZINC001439986530 891331352 /nfs/dbraw/zinc/33/13/52/891331352.db2.gz SXEWIIVMTGWFHQ-WCQYABFASA-N 0 3 288.344 -1.399 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001439987437 891331907 /nfs/dbraw/zinc/33/19/07/891331907.db2.gz XFKYDHRZQRORNT-MFKMUULPSA-N 0 3 285.344 -1.536 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001439981827 891332064 /nfs/dbraw/zinc/33/20/64/891332064.db2.gz ZXANFEDLRJFEDT-BXKDBHETSA-N 0 3 287.316 -1.706 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cc2n(n1)CCO2 ZINC001439994015 891332167 /nfs/dbraw/zinc/33/21/67/891332167.db2.gz ZQOQKWVYMGCTIL-ZDUSSCGKSA-N 0 3 296.327 -1.566 20 0 CAADHN CCN1C[C@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)CC1=O ZINC001439993594 891332836 /nfs/dbraw/zinc/33/28/36/891332836.db2.gz XXNHTJCKYXBYCS-RISCZKNCSA-N 0 3 299.371 -1.600 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@H]1CCC(=O)N1 ZINC001439985152 891333078 /nfs/dbraw/zinc/33/30/78/891333078.db2.gz SJVPXJUGFJHFNZ-BXKDBHETSA-N 0 3 271.317 -2.190 20 0 CAADHN CCOCC(=O)NC[C@@]1(O)CCN(CCn2cncn2)C1 ZINC001439983241 891333349 /nfs/dbraw/zinc/33/33/49/891333349.db2.gz YXGBJTXUXKPTNB-ZDUSSCGKSA-N 0 3 297.359 -1.132 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001439981851 891333442 /nfs/dbraw/zinc/33/34/42/891333442.db2.gz ZXANFEDLRJFEDT-JOYOIKCWSA-N 0 3 287.316 -1.706 20 0 CAADHN CCN1C[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)CC1=O ZINC001439993596 891333569 /nfs/dbraw/zinc/33/35/69/891333569.db2.gz XXNHTJCKYXBYCS-SMDDNHRTSA-N 0 3 299.371 -1.600 20 0 CAADHN COC[C@H](C)N1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001439995109 891334000 /nfs/dbraw/zinc/33/40/00/891334000.db2.gz BQVZOPWXJBOOPV-CABZTGNLSA-N 0 3 298.347 -1.588 20 0 CAADHN COC(=O)NCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001439985628 891335040 /nfs/dbraw/zinc/33/50/40/891335040.db2.gz RUAPXVIJUPFRJR-LLVKDONJSA-N 0 3 275.305 -2.112 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cnsn1 ZINC001439986652 891335088 /nfs/dbraw/zinc/33/50/88/891335088.db2.gz UIOPFVIXPCNBPK-JTQLQIEISA-N 0 3 272.330 -1.303 20 0 CAADHN COC(=O)NCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001439985653 891335507 /nfs/dbraw/zinc/33/55/07/891335507.db2.gz RUAPXVIJUPFRJR-NSHDSACASA-N 0 3 275.305 -2.112 20 0 CAADHN CCn1ncc(C(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001439993466 891335588 /nfs/dbraw/zinc/33/55/88/891335588.db2.gz PZSKNYRMROHOAW-GFCCVEGCSA-N 0 3 283.332 -1.543 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cnsn1 ZINC001439986655 891335638 /nfs/dbraw/zinc/33/56/38/891335638.db2.gz UIOPFVIXPCNBPK-SNVBAGLBSA-N 0 3 272.330 -1.303 20 0 CAADHN CN(C)C1(C(=O)NC[C@@]2(O)CCN(CC(N)=O)C2)CCC1 ZINC001439986817 891337656 /nfs/dbraw/zinc/33/76/56/891337656.db2.gz FEGZCSCSZQFYHF-ZDUSSCGKSA-N 0 3 298.387 -1.491 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001439981849 891338267 /nfs/dbraw/zinc/33/82/67/891338267.db2.gz ZXANFEDLRJFEDT-CABZTGNLSA-N 0 3 287.316 -1.706 20 0 CAADHN C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001439984828 891338558 /nfs/dbraw/zinc/33/85/58/891338558.db2.gz VWOFKGGHVIILLE-GWCFXTLKSA-N 0 3 297.359 -1.329 20 0 CAADHN C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001439984828 891338573 /nfs/dbraw/zinc/33/85/73/891338573.db2.gz VWOFKGGHVIILLE-GWCFXTLKSA-N 0 3 297.359 -1.329 20 0 CAADHN CCNC(=O)CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001439988260 891338621 /nfs/dbraw/zinc/33/86/21/891338621.db2.gz YBYXRGMNBGJSKN-ZDUSSCGKSA-N 0 3 287.360 -1.552 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@]2(O)CCN(CC(N)=O)C2)C1 ZINC001440017433 891339885 /nfs/dbraw/zinc/33/98/85/891339885.db2.gz QKHJWMURELIEHG-BXUZGUMPSA-N 0 3 298.387 -1.634 20 0 CAADHN C[C@@]1(C(=O)NC[C@@]2(O)CCN(CCO)C2)CCOC1 ZINC001440007060 891342769 /nfs/dbraw/zinc/34/27/69/891342769.db2.gz IBURKFGOBBOJBG-OLZOCXBDSA-N 0 3 272.345 -1.042 20 0 CAADHN CNC(=O)CN1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001440000137 891343290 /nfs/dbraw/zinc/34/32/90/891343290.db2.gz BJKIMLJXUGSRAN-ZDUSSCGKSA-N 0 3 295.343 -1.749 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NC[C@]2(O)CCN(CCO)C2)c1 ZINC001440010965 891344386 /nfs/dbraw/zinc/34/43/86/891344386.db2.gz WIRVGBCBQBWLBZ-CYBMUJFWSA-N 0 3 296.327 -1.728 20 0 CAADHN CCCN(C)CC(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001440086356 891353111 /nfs/dbraw/zinc/35/31/11/891353111.db2.gz CPJSCUZSNGEEEJ-UHFFFAOYSA-N 0 3 272.349 -2.024 20 0 CAADHN CCn1cc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)cn1 ZINC001440201147 891355740 /nfs/dbraw/zinc/35/57/40/891355740.db2.gz PYTWZIYTZQPLLX-JTQLQIEISA-N 0 3 297.359 -1.199 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)no1 ZINC001440199513 891355992 /nfs/dbraw/zinc/35/59/92/891355992.db2.gz LKELXDURVYXYOY-VIFPVBQESA-N 0 3 284.316 -1.119 20 0 CAADHN O=C(c1cnccn1)N(CCO)CCN[C@H]1CCNC1=O ZINC001440198499 891356420 /nfs/dbraw/zinc/35/64/20/891356420.db2.gz FPOVOABEUHRZGQ-JTQLQIEISA-N 0 3 293.327 -1.611 20 0 CAADHN Cc1ocnc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001440199577 891356454 /nfs/dbraw/zinc/35/64/54/891356454.db2.gz KNBUBNWNZPRDAX-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN C[C@@H](O)CN1CCC[C@](CO)(NC(=O)Cn2cncn2)C1 ZINC001440188754 891356853 /nfs/dbraw/zinc/35/68/53/891356853.db2.gz DDQHKSYWQCDIBD-YPMHNXCESA-N 0 3 297.359 -1.398 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001440116817 891357175 /nfs/dbraw/zinc/35/71/75/891357175.db2.gz OPWUIRLTTVSBPI-DTWKUNHWSA-N 0 3 280.332 -1.009 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)no1 ZINC001440199512 891357680 /nfs/dbraw/zinc/35/76/80/891357680.db2.gz LKELXDURVYXYOY-SECBINFHSA-N 0 3 284.316 -1.119 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@@H]1CCCO1 ZINC001440198799 891357776 /nfs/dbraw/zinc/35/77/76/891357776.db2.gz HIDSGPKWZVQTIT-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ccncc1)C(N)=O ZINC001440200205 891357838 /nfs/dbraw/zinc/35/78/38/891357838.db2.gz NRLAHVYRSMYRET-SNVBAGLBSA-N 0 3 280.328 -1.021 20 0 CAADHN CC(=O)NCC(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001440199003 891358268 /nfs/dbraw/zinc/35/82/68/891358268.db2.gz HTJSCDVVQCBUKU-JTQLQIEISA-N 0 3 286.332 -2.579 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1NCC(=O)N(C)C ZINC001440148028 891357973 /nfs/dbraw/zinc/35/79/73/891357973.db2.gz MODTYUDHTGDPRU-OPRDCNLKSA-N 0 3 297.359 -1.808 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001440200895 891358144 /nfs/dbraw/zinc/35/81/44/891358144.db2.gz QRJAMSRSEQDSMD-DTWKUNHWSA-N 0 3 288.348 -2.205 20 0 CAADHN CC(=O)NCC(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001440199005 891358245 /nfs/dbraw/zinc/35/82/45/891358245.db2.gz HTJSCDVVQCBUKU-SNVBAGLBSA-N 0 3 286.332 -2.579 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)no1 ZINC001440198421 891358742 /nfs/dbraw/zinc/35/87/42/891358742.db2.gz DMCYKKFQPJDHNC-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1nc(C)c[nH]1 ZINC001440208710 891360187 /nfs/dbraw/zinc/36/01/87/891360187.db2.gz SNPFMPCAGMVYBM-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ncc[nH]1)C(=O)N(C)C ZINC001440203781 891360292 /nfs/dbraw/zinc/36/02/92/891360292.db2.gz XEOHFVQCAUVMDH-SNVBAGLBSA-N 0 3 297.359 -1.090 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1nonc1C ZINC001440207618 891361041 /nfs/dbraw/zinc/36/10/41/891361041.db2.gz QRBDCZGOOSMDPG-SECBINFHSA-N 0 3 299.331 -1.463 20 0 CAADHN O=C(c1cnon1)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001440204759 891361463 /nfs/dbraw/zinc/36/14/63/891361463.db2.gz ITGONKQOBPONRM-SECBINFHSA-N 0 3 297.315 -1.628 20 0 CAADHN Cc1nn(C)cc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001440203100 891361593 /nfs/dbraw/zinc/36/15/93/891361593.db2.gz WANJXTZIJAMNPX-JTQLQIEISA-N 0 3 297.359 -1.374 20 0 CAADHN Cc1ncn(C)c1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001440207516 891362062 /nfs/dbraw/zinc/36/20/62/891362062.db2.gz OINWUSAMIYLARL-SNVBAGLBSA-N 0 3 297.359 -1.374 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H]1COCCO1)C(N)=O ZINC001440204425 891362685 /nfs/dbraw/zinc/36/26/85/891362685.db2.gz ZUXJHRYMNVUKAN-NXEZZACHSA-N 0 3 289.332 -2.314 20 0 CAADHN COC1CC(C(=O)N(CCO)CCN[C@H]2CCNC2=O)C1 ZINC001440206386 891362941 /nfs/dbraw/zinc/36/29/41/891362941.db2.gz KPVRUPOQXUXZCR-MCIGGMRASA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cn[nH]n1 ZINC001440210631 891363149 /nfs/dbraw/zinc/36/31/49/891363149.db2.gz VKJMWRFPDPVDSN-QMMMGPOBSA-N 0 3 284.320 -2.037 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2COCCO2)CCO1 ZINC001440361876 891364381 /nfs/dbraw/zinc/36/43/81/891364381.db2.gz LOMUTGRVIYEYJZ-VHSXEESVSA-N 0 3 287.316 -2.296 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2COCCO2)CCO1 ZINC001440361870 891364603 /nfs/dbraw/zinc/36/46/03/891364603.db2.gz LOMUTGRVIYEYJZ-NXEZZACHSA-N 0 3 287.316 -2.296 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 ZINC001440307248 891364747 /nfs/dbraw/zinc/36/47/47/891364747.db2.gz IJIJNBHOHGVRJB-SECBINFHSA-N 0 3 282.344 -1.361 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cnn(C)c2)CCO1)C(N)=O ZINC001440359971 891364818 /nfs/dbraw/zinc/36/48/18/891364818.db2.gz HXBQTFYJPUJCGZ-ONGXEEELSA-N 0 3 295.343 -1.276 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001440268581 891364848 /nfs/dbraw/zinc/36/48/48/891364848.db2.gz ZOMBZPRZOLGTTF-MWLCHTKSSA-N 0 3 284.360 -1.033 20 0 CAADHN CN1CC[C@@H](C(=O)NCC2(NCC(N)=O)CCC2)CC1=O ZINC001440311306 891365316 /nfs/dbraw/zinc/36/53/16/891365316.db2.gz CUBZSMIWQWRVMK-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN COCCC(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001440284357 891365631 /nfs/dbraw/zinc/36/56/31/891365631.db2.gz XZLDGWQJKFIWGH-UHFFFAOYSA-N 0 3 286.332 -1.154 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)COC)CCO1 ZINC001440361887 891366315 /nfs/dbraw/zinc/36/63/15/891366315.db2.gz XVKDSSUDAXEBSA-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2nccnc2N)CCC1 ZINC001440311644 891366435 /nfs/dbraw/zinc/36/64/35/891366435.db2.gz VCOJEWNNPFJCFQ-UHFFFAOYSA-N 0 3 278.316 -1.214 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001440268573 891366654 /nfs/dbraw/zinc/36/66/54/891366654.db2.gz ZOMBZPRZOLGTTF-GXSJLCMTSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCO1 ZINC001440364066 891366805 /nfs/dbraw/zinc/36/68/05/891366805.db2.gz RUJUUYBECMSQKH-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2COCCO2)CCO1 ZINC001440361875 891367236 /nfs/dbraw/zinc/36/72/36/891367236.db2.gz LOMUTGRVIYEYJZ-UWVGGRQHSA-N 0 3 287.316 -2.296 20 0 CAADHN CC(=O)N(C)CC(=O)NCC1(NCC(N)=O)CCC1 ZINC001440296642 891367279 /nfs/dbraw/zinc/36/72/79/891367279.db2.gz IPSJEKKRQWMSLE-UHFFFAOYSA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCCO2)CCO1 ZINC001440364068 891368001 /nfs/dbraw/zinc/36/80/01/891368001.db2.gz RUJUUYBECMSQKH-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CC(C)C(=O)N1CCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001440364723 891368056 /nfs/dbraw/zinc/36/80/56/891368056.db2.gz WNZYZWXYZWPXEL-SECBINFHSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2n[nH]cc2F)CCO1)C(N)=O ZINC001440386251 891368543 /nfs/dbraw/zinc/36/85/43/891368543.db2.gz UIJJSUPVBXBUBO-JGVFFNPUSA-N 0 3 299.306 -1.147 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cccnc2)CCO1 ZINC001440366837 891369728 /nfs/dbraw/zinc/36/97/28/891369728.db2.gz ZTRVXOIZXOATCW-NSHDSACASA-N 0 3 278.312 -1.003 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cnns2)CCO1 ZINC001440375757 891369753 /nfs/dbraw/zinc/36/97/53/891369753.db2.gz MVZROVCCRUHZDQ-SSDOTTSWSA-N 0 3 285.329 -1.546 20 0 CAADHN Cn1cnc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)c1 ZINC001440379129 891369787 /nfs/dbraw/zinc/36/97/87/891369787.db2.gz PBECKATTZYRUGU-SECBINFHSA-N 0 3 281.316 -1.664 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001440368600 891370077 /nfs/dbraw/zinc/37/00/77/891370077.db2.gz IFUIUUODIFECKR-MRVPVSSYSA-N 0 3 283.288 -1.754 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cnns2)CCO1 ZINC001440375758 891370323 /nfs/dbraw/zinc/37/03/23/891370323.db2.gz MVZROVCCRUHZDQ-ZETCQYMHSA-N 0 3 285.329 -1.546 20 0 CAADHN CC[C@@H](OC)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001440364757 891370392 /nfs/dbraw/zinc/37/03/92/891370392.db2.gz BMNNJBGWJLYZOC-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)CCO1 ZINC001440383612 891370430 /nfs/dbraw/zinc/37/04/30/891370430.db2.gz SILZGURDMCTJCW-SNVBAGLBSA-N 0 3 294.311 -1.297 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](C)C[C@H]1CNCC(N)=O ZINC001440418568 891370764 /nfs/dbraw/zinc/37/07/64/891370764.db2.gz XSGGVZNISXMGBU-UTLUCORTSA-N 0 3 299.375 -1.255 20 0 CAADHN COc1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)on1 ZINC001440368036 891371014 /nfs/dbraw/zinc/37/10/14/891371014.db2.gz DOYOMWUUQIBXCT-QMMMGPOBSA-N 0 3 298.299 -1.401 20 0 CAADHN CO[C@@H](C)CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001440384366 891371264 /nfs/dbraw/zinc/37/12/64/891371264.db2.gz UUWIXTPPNWCRMU-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cccc(=O)[nH]2)CCO1 ZINC001440366772 891371495 /nfs/dbraw/zinc/37/14/95/891371495.db2.gz DOAGKDQNFYAABP-VIFPVBQESA-N 0 3 294.311 -1.297 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@H](N(CCO)CCO)C2)n1 ZINC001440442637 891371737 /nfs/dbraw/zinc/37/17/37/891371737.db2.gz AHFGDDKHOYQOGL-NSHDSACASA-N 0 3 297.359 -1.294 20 0 CAADHN CN(CCO)C[C@@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001440509919 891374888 /nfs/dbraw/zinc/37/48/88/891374888.db2.gz LIQRDPLHRLPTAO-NSHDSACASA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1C ZINC001440611330 891376500 /nfs/dbraw/zinc/37/65/00/891376500.db2.gz ZXCGMRBZBGSSNT-WCBMZHEXSA-N 0 3 293.327 -1.022 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001440588176 891377031 /nfs/dbraw/zinc/37/70/31/891377031.db2.gz OUFMOCIFAHPXGS-BDAKNGLRSA-N 0 3 280.332 -1.389 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001440622783 891377717 /nfs/dbraw/zinc/37/77/17/891377717.db2.gz HSHSOZIYCATZAT-MRVPVSSYSA-N 0 3 299.331 -2.904 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2ncc[nH]2)CC1 ZINC001440632398 891378436 /nfs/dbraw/zinc/37/84/36/891378436.db2.gz ZKQAKJCTIJFZPP-UHFFFAOYSA-N 0 3 281.316 -1.548 20 0 CAADHN COCCC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001440623141 891379540 /nfs/dbraw/zinc/37/95/40/891379540.db2.gz XLICITUQONOEKC-UHFFFAOYSA-N 0 3 273.333 -1.549 20 0 CAADHN C[C@@H](NC(=O)c1ccon1)[C@H](C)NCC(=O)NC(N)=O ZINC001440775315 891380942 /nfs/dbraw/zinc/38/09/42/891380942.db2.gz DRHQHFKUZVBBIL-NKWVEPMBSA-N 0 3 283.288 -1.034 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001440777222 891381100 /nfs/dbraw/zinc/38/11/00/891381100.db2.gz HEOZLLFYXVTXBA-ZJUUUORDSA-N 0 3 297.363 -1.320 20 0 CAADHN CCNC(=O)CCC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001440779880 891381384 /nfs/dbraw/zinc/38/13/84/891381384.db2.gz RBSRUOXJIAZVAF-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)NCC(N)=O ZINC001440801394 891381427 /nfs/dbraw/zinc/38/14/27/891381427.db2.gz GIVWRFGPOMWYFX-VHSXEESVSA-N 0 3 299.375 -2.272 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1ccnn1C ZINC001440766891 891381591 /nfs/dbraw/zinc/38/15/91/891381591.db2.gz AIKRQULIFLFHSB-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](NC(=O)c1ccnn1C)[C@H](C)NCC(=O)NC(N)=O ZINC001440766890 891381752 /nfs/dbraw/zinc/38/17/52/891381752.db2.gz AIKRQULIFLFHSB-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001440777218 891382222 /nfs/dbraw/zinc/38/22/22/891382222.db2.gz HEOZLLFYXVTXBA-UWVGGRQHSA-N 0 3 297.363 -1.320 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1ccon1 ZINC001440775324 891382313 /nfs/dbraw/zinc/38/23/13/891382313.db2.gz DRHQHFKUZVBBIL-RQJHMYQMSA-N 0 3 283.288 -1.034 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC1CC1 ZINC001440783356 891382733 /nfs/dbraw/zinc/38/27/33/891382733.db2.gz HFXCUFOVUZCOMS-BDAKNGLRSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1ccnn1C ZINC001440766892 891383029 /nfs/dbraw/zinc/38/30/29/891383029.db2.gz AIKRQULIFLFHSB-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)Cn1ncnn1 ZINC001440785005 891383054 /nfs/dbraw/zinc/38/30/54/891383054.db2.gz JTLPDADOXMAMOJ-BDAKNGLRSA-N 0 3 295.347 -1.566 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cn[nH]c1 ZINC001440785505 891383147 /nfs/dbraw/zinc/38/31/47/891383147.db2.gz PTNOWZRKMXJWMZ-HTQZYQBOSA-N 0 3 296.331 -1.038 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001440804721 891383755 /nfs/dbraw/zinc/38/37/55/891383755.db2.gz VWEKADTWFKZTHB-IUCAKERBSA-N 0 3 298.347 -2.189 20 0 CAADHN Cc1nc(CN[C@H](C)[C@@H](C)NC(=O)Cn2cnnn2)n[nH]1 ZINC001440780820 891383953 /nfs/dbraw/zinc/38/39/53/891383953.db2.gz JXOLXBFQKRWZGT-HTQZYQBOSA-N 0 3 293.335 -1.217 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)Cn1ccnc1 ZINC001440848391 891384382 /nfs/dbraw/zinc/38/43/82/891384382.db2.gz IHDRSCZGNMFBEO-IUCAKERBSA-N 0 3 296.331 -1.439 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001440859832 891385280 /nfs/dbraw/zinc/38/52/80/891385280.db2.gz ORGSEFJHZHLSQF-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)Cn1ccnc1 ZINC001440848392 891385469 /nfs/dbraw/zinc/38/54/69/891385469.db2.gz IHDRSCZGNMFBEO-RKDXNWHRSA-N 0 3 296.331 -1.439 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)Cn1ccnc1 ZINC001440848389 891385626 /nfs/dbraw/zinc/38/56/26/891385626.db2.gz IHDRSCZGNMFBEO-BDAKNGLRSA-N 0 3 296.331 -1.439 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001440902658 891387713 /nfs/dbraw/zinc/38/77/13/891387713.db2.gz SNQCGNZDAHUSJV-NXEZZACHSA-N 0 3 286.336 -1.883 20 0 CAADHN C[C@@H](NC(=O)Cc1cnoc1)[C@H](C)NCC(=O)NC(N)=O ZINC001440824743 891388052 /nfs/dbraw/zinc/38/80/52/891388052.db2.gz ZDTHWZVXKRVAMN-JGVFFNPUSA-N 0 3 297.315 -1.105 20 0 CAADHN C[C@@H](NC(=O)c1nc[nH]n1)[C@H](C)NCc1nnnn1C ZINC001440835609 891388117 /nfs/dbraw/zinc/38/81/17/891388117.db2.gz JCSXUDAUJNHZBY-NKWVEPMBSA-N 0 3 279.308 -1.375 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001440824705 891388163 /nfs/dbraw/zinc/38/81/63/891388163.db2.gz YTVBMSSLAFNKAF-IUCAKERBSA-N 0 3 297.363 -1.215 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@H](C)N(C)CCO ZINC001440958583 891390285 /nfs/dbraw/zinc/39/02/85/891390285.db2.gz VOGOFDKVTGVCIE-MRVPVSSYSA-N 0 3 282.366 -2.531 20 0 CAADHN Cc1nc(CC(=O)NC[C@@H](C)N(C)[C@@H]2CCNC2=O)n[nH]1 ZINC001440917244 891390993 /nfs/dbraw/zinc/39/09/93/891390993.db2.gz KKCFNVPPCTWMPY-PSASIEDQSA-N 0 3 294.359 -1.019 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H](C)N(C)CCOC ZINC001441020071 891396468 /nfs/dbraw/zinc/39/64/68/891396468.db2.gz FQKCMZZNOCUDCA-VIFPVBQESA-N 0 3 281.378 -1.382 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)Cn1cnnn1)C1CC1)C(N)=O ZINC001441175762 891403217 /nfs/dbraw/zinc/40/32/17/891403217.db2.gz SSVRUFREIGJHDB-CBAPKCEASA-N 0 3 281.320 -1.969 20 0 CAADHN COCC(=O)NC[C@H](NCC(=O)N1CCOCC1)C1CC1 ZINC001441145535 891403231 /nfs/dbraw/zinc/40/32/31/891403231.db2.gz CKQQRARZPUKTJJ-LBPRGKRZSA-N 0 3 299.371 -1.024 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](N[C@@H]2CCNC2=O)C2CC2)n1 ZINC001441211302 891403327 /nfs/dbraw/zinc/40/33/27/891403327.db2.gz MPKGZQQGFVRKKX-NXEZZACHSA-N 0 3 292.343 -1.198 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001441109940 891403428 /nfs/dbraw/zinc/40/34/28/891403428.db2.gz HPXBKXZHWOFDTI-SCZZXKLOSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001441109941 891403550 /nfs/dbraw/zinc/40/35/50/891403550.db2.gz HPXBKXZHWOFDTI-WPRPVWTQSA-N 0 3 280.332 -1.198 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001441196940 891403733 /nfs/dbraw/zinc/40/37/33/891403733.db2.gz PGWFPHQUYHGPIV-SCZZXKLOSA-N 0 3 295.347 -1.708 20 0 CAADHN O=C(CNC(=O)c1ccncc1)N[C@H]1CCN(CCO)C1 ZINC001441095642 891404230 /nfs/dbraw/zinc/40/42/30/891404230.db2.gz FOHNRQAGHFKMOS-LBPRGKRZSA-N 0 3 292.339 -1.006 20 0 CAADHN COCC(=O)NC[C@@H](NCC(=O)N1CCOCC1)C1CC1 ZINC001441145528 891404733 /nfs/dbraw/zinc/40/47/33/891404733.db2.gz CKQQRARZPUKTJJ-GFCCVEGCSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001441196961 891405007 /nfs/dbraw/zinc/40/50/07/891405007.db2.gz PGWFPHQUYHGPIV-WPRPVWTQSA-N 0 3 295.347 -1.708 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](NCC(N)=O)C1CC1)n1cncn1 ZINC001441180704 891405073 /nfs/dbraw/zinc/40/50/73/891405073.db2.gz RVWVXWRNMVZDHD-WCBMZHEXSA-N 0 3 280.332 -1.191 20 0 CAADHN C[C@H](N[C@H](CNC(=O)Cn1cnnn1)C1CC1)C(N)=O ZINC001441175764 891405220 /nfs/dbraw/zinc/40/52/20/891405220.db2.gz SSVRUFREIGJHDB-IONNQARKSA-N 0 3 281.320 -1.969 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001441324752 891406334 /nfs/dbraw/zinc/40/63/34/891406334.db2.gz DFJZBBCEBOEKNM-CBAPKCEASA-N 0 3 299.306 -1.147 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)CNC(C)=O)[C@@H]2C1 ZINC001441275679 891406711 /nfs/dbraw/zinc/40/67/11/891406711.db2.gz QIGWNIHROCVFDW-YFKTTZPYSA-N 0 3 296.371 -1.320 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H](C)CC(N)=O)C1CC1 ZINC001441223202 891406795 /nfs/dbraw/zinc/40/67/95/891406795.db2.gz HRTRDUOUMPYSKR-WCBMZHEXSA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1)C(N)=O ZINC001441246954 891407208 /nfs/dbraw/zinc/40/72/08/891407208.db2.gz MBDYLVIDHFHSEJ-APPZFPTMSA-N 0 3 293.327 -1.258 20 0 CAADHN CNC(=O)NCC(=O)N1CC2(C1)CCCN(CCO)C2 ZINC001441342288 891407369 /nfs/dbraw/zinc/40/73/69/891407369.db2.gz QAHSHGRFWZCZLS-UHFFFAOYSA-N 0 3 284.360 -1.168 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001441336795 891407492 /nfs/dbraw/zinc/40/74/92/891407492.db2.gz COTNQLFUZBOLBQ-KXUCPTDWSA-N 0 3 282.344 -1.410 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)COC)CCO1 ZINC001441306322 891407502 /nfs/dbraw/zinc/40/75/02/891407502.db2.gz APSOHIYSVWCFKC-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H](C)CC(N)=O)C1CC1 ZINC001441223198 891407642 /nfs/dbraw/zinc/40/76/42/891407642.db2.gz HRTRDUOUMPYSKR-SCZZXKLOSA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001441324750 891407681 /nfs/dbraw/zinc/40/76/81/891407681.db2.gz DFJZBBCEBOEKNM-APPZFPTMSA-N 0 3 299.306 -1.147 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001441324755 891407791 /nfs/dbraw/zinc/40/77/91/891407791.db2.gz DFJZBBCEBOEKNM-VXNVDRBHSA-N 0 3 299.306 -1.147 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cocn2)CCO1 ZINC001441315649 891407871 /nfs/dbraw/zinc/40/78/71/891407871.db2.gz MXIZNDNJJKHUNS-WCBMZHEXSA-N 0 3 282.300 -1.021 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cocn2)CCO1 ZINC001441315647 891407978 /nfs/dbraw/zinc/40/79/78/891407978.db2.gz MXIZNDNJJKHUNS-PSASIEDQSA-N 0 3 282.300 -1.021 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001441324753 891408123 /nfs/dbraw/zinc/40/81/23/891408123.db2.gz DFJZBBCEBOEKNM-IONNQARKSA-N 0 3 299.306 -1.147 20 0 CAADHN O=C(Cn1cncn1)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001441269504 891408169 /nfs/dbraw/zinc/40/81/69/891408169.db2.gz LADLLONVFSGHSD-QWRGUYRKSA-N 0 3 292.343 -1.349 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001441330982 891408328 /nfs/dbraw/zinc/40/83/28/891408328.db2.gz QDTYYBUUMHHFTA-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001441335159 891408473 /nfs/dbraw/zinc/40/84/73/891408473.db2.gz VCZVVUZJTNFCKC-JTQLQIEISA-N 0 3 292.343 -1.102 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001441339838 891408510 /nfs/dbraw/zinc/40/85/10/891408510.db2.gz LIJNMUGKJXJXHY-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001441348196 891410077 /nfs/dbraw/zinc/41/00/77/891410077.db2.gz IIGJBTOVBOXNSB-AEJSXWLSSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)CNC(=O)NC)CC1 ZINC001441380307 891410149 /nfs/dbraw/zinc/41/01/49/891410149.db2.gz DHEAFWMQXMQAHD-UHFFFAOYSA-N 0 3 299.375 -1.416 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001441395563 891410929 /nfs/dbraw/zinc/41/09/29/891410929.db2.gz VMWOFGMVHIMZMR-UHFFFAOYSA-N 0 3 294.359 -1.053 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001441348130 891411509 /nfs/dbraw/zinc/41/15/09/891411509.db2.gz FBLMFDKMTUHXQL-AXFHLTTASA-N 0 3 296.371 -1.177 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001441428921 891413038 /nfs/dbraw/zinc/41/30/38/891413038.db2.gz WGKYWQNJQGLAFQ-RYUDHWBXSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1COCCO1 ZINC001441441937 891413052 /nfs/dbraw/zinc/41/30/52/891413052.db2.gz RQBXCDFNIQNRLK-RYUDHWBXSA-N 0 3 299.371 -1.026 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)NCC(=O)NC1CC1 ZINC001441479371 891413103 /nfs/dbraw/zinc/41/31/03/891413103.db2.gz SEEAJQWCHDLUSM-VIFPVBQESA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CN(C)CCO1)NCC(N)=O ZINC001441500785 891413151 /nfs/dbraw/zinc/41/31/51/891413151.db2.gz JRUVSBCKEAXWNL-NXEZZACHSA-N 0 3 272.349 -1.761 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCOC1)NCC(=O)NC(N)=O ZINC001441493117 891413246 /nfs/dbraw/zinc/41/32/46/891413246.db2.gz ZPQZFYZQOWRJKF-BDAKNGLRSA-N 0 3 286.332 -1.346 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001441428923 891413277 /nfs/dbraw/zinc/41/32/77/891413277.db2.gz WGKYWQNJQGLAFQ-VXGBXAGGSA-N 0 3 296.371 -1.162 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)NCC(=O)NC1CC1 ZINC001441479360 891413383 /nfs/dbraw/zinc/41/33/83/891413383.db2.gz SEEAJQWCHDLUSM-SECBINFHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)NCC(N)=O ZINC001441500809 891413506 /nfs/dbraw/zinc/41/35/06/891413506.db2.gz JRUVSBCKEAXWNL-UWVGGRQHSA-N 0 3 272.349 -1.761 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CN(C)CCO1)NCC(N)=O ZINC001441500819 891413550 /nfs/dbraw/zinc/41/35/50/891413550.db2.gz JRUVSBCKEAXWNL-ZJUUUORDSA-N 0 3 272.349 -1.761 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1COCCO1 ZINC001441441929 891414041 /nfs/dbraw/zinc/41/40/41/891414041.db2.gz RQBXCDFNIQNRLK-NEPJUHHUSA-N 0 3 299.371 -1.026 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)c1cn[nH]c1 ZINC001441501089 891414096 /nfs/dbraw/zinc/41/40/96/891414096.db2.gz OLXYFWYJFUPHNP-MRVPVSSYSA-N 0 3 296.331 -1.085 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnn(C)c1N)N[C@H](C)C(N)=O ZINC001441522629 891415478 /nfs/dbraw/zinc/41/54/78/891415478.db2.gz WLKRIRJINLPMNK-HTQZYQBOSA-N 0 3 282.348 -1.074 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001441565271 891415594 /nfs/dbraw/zinc/41/55/94/891415594.db2.gz CJDHIQDDMGBORJ-JGVFFNPUSA-N 0 3 283.336 -1.605 20 0 CAADHN C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)NCC(N)=O ZINC001441529415 891415925 /nfs/dbraw/zinc/41/59/25/891415925.db2.gz OBCKSQIGKPEGJK-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)NCCF ZINC001441565070 891416202 /nfs/dbraw/zinc/41/62/02/891416202.db2.gz VDLHRXOAXHUERT-SECBINFHSA-N 0 3 273.312 -1.012 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)N[C@@H](C)C(N)=O ZINC001441522635 891416575 /nfs/dbraw/zinc/41/65/75/891416575.db2.gz WLKRIRJINLPMNK-YUMQZZPRSA-N 0 3 282.348 -1.074 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnn(C)c1N)N[C@@H](C)C(N)=O ZINC001441522633 891416661 /nfs/dbraw/zinc/41/66/61/891416661.db2.gz WLKRIRJINLPMNK-SFYZADRCSA-N 0 3 282.348 -1.074 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncnn1)N[C@H]1CCCNC1=O ZINC001441517169 891416701 /nfs/dbraw/zinc/41/67/01/891416701.db2.gz CHRYJWAPVXAUBD-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001441520081 891417055 /nfs/dbraw/zinc/41/70/55/891417055.db2.gz BAMDAJRSSPCUJF-JGVFFNPUSA-N 0 3 291.373 -1.659 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NCC(N)=O ZINC001441531347 891417135 /nfs/dbraw/zinc/41/71/35/891417135.db2.gz FLMSUXOHBINBNU-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCCCC1=O)NCC(N)=O ZINC001441544231 891417529 /nfs/dbraw/zinc/41/75/29/891417529.db2.gz HCZXALWRNABGLG-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)N[C@@H](C)C(N)=O ZINC001441647151 891419006 /nfs/dbraw/zinc/41/90/06/891419006.db2.gz QZZJXLWFCZKCCD-BDAKNGLRSA-N 0 3 295.343 -1.296 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)NCCF ZINC001441594925 891419142 /nfs/dbraw/zinc/41/91/42/891419142.db2.gz DFMLYUDPWRYHSU-YUMQZZPRSA-N 0 3 274.296 -1.010 20 0 CAADHN C[C@H](CN(C)C(=O)Cc1cnc[nH]1)NCC(=O)NC(N)=O ZINC001441609683 891419382 /nfs/dbraw/zinc/41/93/82/891419382.db2.gz QPYREHKAHFCPKS-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1cnn(C)n1 ZINC001441607745 891419452 /nfs/dbraw/zinc/41/94/52/891419452.db2.gz SNKHLZKWXRSFJM-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)NCC(=O)N(C)C ZINC001441600316 891419491 /nfs/dbraw/zinc/41/94/91/891419491.db2.gz XLJAGFUNFKNGTH-VHSXEESVSA-N 0 3 299.375 -1.465 20 0 CAADHN CC[C@@H](N[C@H](C)CN(C)C(=O)CCNC(N)=O)C(N)=O ZINC001441632672 891419570 /nfs/dbraw/zinc/41/95/70/891419570.db2.gz CBYDSDZQBMMEAE-RKDXNWHRSA-N 0 3 287.364 -1.255 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1cnn(C)n1 ZINC001441607728 891419670 /nfs/dbraw/zinc/41/96/70/891419670.db2.gz SNKHLZKWXRSFJM-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001441655076 891419748 /nfs/dbraw/zinc/41/97/48/891419748.db2.gz LCCJXQLLNUHKQH-DTWKUNHWSA-N 0 3 283.332 -1.876 20 0 CAADHN CC(=O)NC[C@H](CO)NC[C@H](O)CN1CCCC1=O ZINC001441651821 891419906 /nfs/dbraw/zinc/41/99/06/891419906.db2.gz IQFULBMASYTHHF-MNOVXSKESA-N 0 3 273.333 -1.944 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001441621492 891420006 /nfs/dbraw/zinc/42/00/06/891420006.db2.gz WEKRNXJHLCXESG-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN CC(=O)NC[C@@H](CO)NC[C@H]1CCCS(=O)(=O)C1 ZINC001441657431 891420578 /nfs/dbraw/zinc/42/05/78/891420578.db2.gz QNRSBJQOLMBTCP-MNOVXSKESA-N 0 3 278.374 -1.102 20 0 CAADHN Cc1nc(CN[C@@H](C)CN(C)C(=O)[C@H]2CNC(=O)N2)n[nH]1 ZINC001441590157 891420854 /nfs/dbraw/zinc/42/08/54/891420854.db2.gz JTYMUJPUNYXNHR-IONNQARKSA-N 0 3 295.347 -1.269 20 0 CAADHN C[C@H](CN(C)C(=O)CCNC(N)=O)NCC(=O)NC1CC1 ZINC001441651136 891421207 /nfs/dbraw/zinc/42/12/07/891421207.db2.gz WVQXILPHUDRGDW-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1cnn(C)n1 ZINC001441607739 891421377 /nfs/dbraw/zinc/42/13/77/891421377.db2.gz SNKHLZKWXRSFJM-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001441647510 891421501 /nfs/dbraw/zinc/42/15/01/891421501.db2.gz AECWJKNJOVDJNY-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN CC(=O)NC[C@@H](CO)NC[C@@H]1CCCS(=O)(=O)C1 ZINC001441657435 891423605 /nfs/dbraw/zinc/42/36/05/891423605.db2.gz QNRSBJQOLMBTCP-QWRGUYRKSA-N 0 3 278.374 -1.102 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)C1=COCCO1 ZINC001441674293 891426510 /nfs/dbraw/zinc/42/65/10/891426510.db2.gz XXVCWLYMLNORNL-JTQLQIEISA-N 0 3 297.315 -1.767 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](CO)NCCn2cncn2)[nH]n1 ZINC001441675204 891428218 /nfs/dbraw/zinc/42/82/18/891428218.db2.gz PKFGMRMAEQDIHC-JTQLQIEISA-N 0 3 293.331 -1.310 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)c1ncc[nH]1 ZINC001441701188 891433959 /nfs/dbraw/zinc/43/39/59/891433959.db2.gz HZEMNCKYVFUJTI-SECBINFHSA-N 0 3 296.331 -1.885 20 0 CAADHN COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001441702667 891433990 /nfs/dbraw/zinc/43/39/90/891433990.db2.gz BESRPHATHKHCSY-BDAKNGLRSA-N 0 3 284.316 -1.103 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001441698926 891435027 /nfs/dbraw/zinc/43/50/27/891435027.db2.gz NVXNGHHQJIODFU-JTQLQIEISA-N 0 3 294.315 -1.045 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001441698931 891435068 /nfs/dbraw/zinc/43/50/68/891435068.db2.gz NVXNGHHQJIODFU-SNVBAGLBSA-N 0 3 294.315 -1.045 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)Cn1cncc1C ZINC001441720038 891440278 /nfs/dbraw/zinc/44/02/78/891440278.db2.gz LTZRAHQCRGCSQY-SNVBAGLBSA-N 0 3 283.332 -1.996 20 0 CAADHN O=C(NC[C@@H](CO)NCCO)[C@H]1CCS(=O)(=O)C1 ZINC001441724619 891441214 /nfs/dbraw/zinc/44/12/14/891441214.db2.gz UFECCCFPHSDYFX-IUCAKERBSA-N 0 3 280.346 -2.520 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC001441746222 891442814 /nfs/dbraw/zinc/44/28/14/891442814.db2.gz CUYRJUXSQJYKJP-GHMZBOCLSA-N 0 3 286.376 -1.859 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)CNC(C)=O ZINC001441746154 891443337 /nfs/dbraw/zinc/44/33/37/891443337.db2.gz BOYANMUSKSCXFL-SSDOTTSWSA-N 0 3 287.320 -2.328 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NCc1cnon1)N(C)C ZINC001441749326 891443621 /nfs/dbraw/zinc/44/36/21/891443621.db2.gz IVCJWJLNBUVMLS-QWRGUYRKSA-N 0 3 285.348 -1.024 20 0 CAADHN C[C@H](CNC(=O)c1ccncc1)NCC(=O)NC(N)=O ZINC001441750475 891443698 /nfs/dbraw/zinc/44/36/98/891443698.db2.gz DGIKNLXTEDBUNH-MRVPVSSYSA-N 0 3 279.300 -1.016 20 0 CAADHN C[C@@H](CNC(=O)c1ccncc1)NCC(=O)NC(N)=O ZINC001441750480 891444071 /nfs/dbraw/zinc/44/40/71/891444071.db2.gz DGIKNLXTEDBUNH-QMMMGPOBSA-N 0 3 279.300 -1.016 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001441745987 891444271 /nfs/dbraw/zinc/44/42/71/891444271.db2.gz ABLXFNQAJUVTGX-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001441754211 891444830 /nfs/dbraw/zinc/44/48/30/891444830.db2.gz HWYKMYGCENUUQA-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)C1CC1)N[C@@H]1CCCNC1=O ZINC001441766944 891446482 /nfs/dbraw/zinc/44/64/82/891446482.db2.gz JGKCJOWCSAWCMF-GXSJLCMTSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CNC(=O)c1cnccn1)N[C@@H](C)C(=O)NC(N)=O ZINC001441760344 891446659 /nfs/dbraw/zinc/44/66/59/891446659.db2.gz NNWKBXGIYXPEIL-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C1CC1)N[C@@H]1CCCNC1=O ZINC001441766948 891446731 /nfs/dbraw/zinc/44/67/31/891446731.db2.gz JGKCJOWCSAWCMF-MWLCHTKSSA-N 0 3 296.371 -1.115 20 0 CAADHN COc1cc(CN[C@@H](CO)CNC(=O)c2ncn[nH]2)on1 ZINC001441766362 891447063 /nfs/dbraw/zinc/44/70/63/891447063.db2.gz RSDWRKVYQZOQGP-SSDOTTSWSA-N 0 3 296.287 -1.318 20 0 CAADHN O=C(C[C@H]1CCOC1)NC[C@H](CO)NCCn1cncn1 ZINC001441768491 891447131 /nfs/dbraw/zinc/44/71/31/891447131.db2.gz RZOJBHUTZVQYKE-VXGBXAGGSA-N 0 3 297.359 -1.229 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)COC ZINC001441769053 891447515 /nfs/dbraw/zinc/44/75/15/891447515.db2.gz MSFKCMFUKYJSST-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCCN(C)C1=O ZINC001441761481 891447667 /nfs/dbraw/zinc/44/76/67/891447667.db2.gz QJXFHJMBTQFTSV-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)c1cnccn1)N[C@H](C)C(=O)NC(N)=O ZINC001441760338 891447877 /nfs/dbraw/zinc/44/78/77/891447877.db2.gz NNWKBXGIYXPEIL-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](C)N[C@H]1CCCNC1=O ZINC001441757174 891447921 /nfs/dbraw/zinc/44/79/21/891447921.db2.gz CWIINMKGSUIRBY-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)COC ZINC001441769067 891448172 /nfs/dbraw/zinc/44/81/72/891448172.db2.gz MSFKCMFUKYJSST-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)NCCS(C)(=O)=O ZINC001441766961 891448556 /nfs/dbraw/zinc/44/85/56/891448556.db2.gz JJRRHFKVRHVMDM-MRVPVSSYSA-N 0 3 295.361 -1.519 20 0 CAADHN O=C(C[C@H]1CCOC1)NC[C@@H](CO)NCCn1cncn1 ZINC001441768416 891448673 /nfs/dbraw/zinc/44/86/73/891448673.db2.gz RZOJBHUTZVQYKE-NEPJUHHUSA-N 0 3 297.359 -1.229 20 0 CAADHN COc1cc(CN[C@H](CO)CNC(=O)c2ncn[nH]2)on1 ZINC001441766391 891448788 /nfs/dbraw/zinc/44/87/88/891448788.db2.gz RSDWRKVYQZOQGP-ZETCQYMHSA-N 0 3 296.287 -1.318 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCCN(C)C1=O ZINC001441761479 891448828 /nfs/dbraw/zinc/44/88/28/891448828.db2.gz QJXFHJMBTQFTSV-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNC(=O)c1ccnn1C)N[C@@H](C)C(=O)NC(N)=O ZINC001441776009 891450773 /nfs/dbraw/zinc/45/07/73/891450773.db2.gz DESFNABFYNFDEG-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ccn[nH]1 ZINC001441771866 891450868 /nfs/dbraw/zinc/45/08/68/891450868.db2.gz WFCRCIVHHBDLLC-SSDOTTSWSA-N 0 3 282.304 -1.427 20 0 CAADHN C[C@H](CNC(=O)c1cn[nH]c1)NCC(=O)N1CCOCC1 ZINC001441775137 891451686 /nfs/dbraw/zinc/45/16/86/891451686.db2.gz XMYBUBNMFKDKEH-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ccn[nH]1 ZINC001441771867 891452097 /nfs/dbraw/zinc/45/20/97/891452097.db2.gz WFCRCIVHHBDLLC-ZETCQYMHSA-N 0 3 282.304 -1.427 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCOC1)NCC(=O)NC(N)=O ZINC001441786558 891452288 /nfs/dbraw/zinc/45/22/88/891452288.db2.gz UEIOIDPENQSYDS-RKDXNWHRSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCOC1)NCC(=O)NC(N)=O ZINC001441786553 891452365 /nfs/dbraw/zinc/45/23/65/891452365.db2.gz UEIOIDPENQSYDS-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN CC[C@@H](N[C@H](CO)CNC(=O)Cn1ccnc1C)C(N)=O ZINC001441791846 891453822 /nfs/dbraw/zinc/45/38/22/891453822.db2.gz LQABROKQZXPDJC-WDEREUQCSA-N 0 3 297.359 -1.478 20 0 CAADHN CC[C@H](N[C@H](CO)CNC(=O)Cn1ccnc1C)C(N)=O ZINC001441791845 891454410 /nfs/dbraw/zinc/45/44/10/891454410.db2.gz LQABROKQZXPDJC-QWRGUYRKSA-N 0 3 297.359 -1.478 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cocn1)C(=O)NC(N)=O ZINC001441796756 891454526 /nfs/dbraw/zinc/45/45/26/891454526.db2.gz YAEHUBGSSLNFAX-NKWVEPMBSA-N 0 3 283.288 -1.034 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001441791092 891454830 /nfs/dbraw/zinc/45/48/30/891454830.db2.gz SOMOFGQDXQTUQS-JGVFFNPUSA-N 0 3 299.331 -2.185 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1)N[C@H]1CCN(C)C1=O ZINC001441797110 891455511 /nfs/dbraw/zinc/45/55/11/891455511.db2.gz JATOGEJAXNYLQI-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@H](N[C@@H](CO)CNC(=O)Cn1ccnc1C)C(N)=O ZINC001441791844 891455578 /nfs/dbraw/zinc/45/55/78/891455578.db2.gz LQABROKQZXPDJC-MNOVXSKESA-N 0 3 297.359 -1.478 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C ZINC001441798999 891455901 /nfs/dbraw/zinc/45/59/01/891455901.db2.gz AFSSOEUPKIVCBD-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)Cn2ncnn2)n[nH]1 ZINC001441816649 891457363 /nfs/dbraw/zinc/45/73/63/891457363.db2.gz DLFIRGJLOBCQQD-SSDOTTSWSA-N 0 3 279.308 -1.606 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N[C@@H]1CCN(C)C1=O ZINC001441831001 891457400 /nfs/dbraw/zinc/45/74/00/891457400.db2.gz UOMZOHOTFXRGFT-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@@H](CNC(=O)c1cccn2nnnc12)NCC(N)=O ZINC001441847403 891457513 /nfs/dbraw/zinc/45/75/13/891457513.db2.gz VCEQNJAGSSBURU-ZETCQYMHSA-N 0 3 277.288 -1.683 20 0 CAADHN COCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C[C@H]1C ZINC001441813052 891457641 /nfs/dbraw/zinc/45/76/41/891457641.db2.gz FLFYQOANCVXJEP-HTQZYQBOSA-N 0 3 272.305 -1.593 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001441827208 891457981 /nfs/dbraw/zinc/45/79/81/891457981.db2.gz SBCDZLFTKODSSX-SFYZADRCSA-N 0 3 272.305 -1.675 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CCNC(=O)NC)C(N)=O ZINC001441812902 891458174 /nfs/dbraw/zinc/45/81/74/891458174.db2.gz PFCDEVHQFIZGMI-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)NCCS(C)(=O)=O ZINC001441856565 891458305 /nfs/dbraw/zinc/45/83/05/891458305.db2.gz ICMJFXIQJSKBTQ-MRVPVSSYSA-N 0 3 294.377 -1.946 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CNC(C)=O)C1 ZINC001441826004 891458445 /nfs/dbraw/zinc/45/84/45/891458445.db2.gz TYPAAQSMZNPHPG-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)NCC(=O)N(C)C ZINC001441846274 891458466 /nfs/dbraw/zinc/45/84/66/891458466.db2.gz SADVAROGJWESNT-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001441834442 891458487 /nfs/dbraw/zinc/45/84/87/891458487.db2.gz RLMDPZMMLKFBKS-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001441839802 891458568 /nfs/dbraw/zinc/45/85/68/891458568.db2.gz JBIGDCCLBFGZNM-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001441839800 891458706 /nfs/dbraw/zinc/45/87/06/891458706.db2.gz JBIGDCCLBFGZNM-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001441827219 891458826 /nfs/dbraw/zinc/45/88/26/891458826.db2.gz SBCDZLFTKODSSX-YUMQZZPRSA-N 0 3 272.305 -1.675 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)Cn2ncnn2)n[nH]1 ZINC001441816650 891458881 /nfs/dbraw/zinc/45/88/81/891458881.db2.gz DLFIRGJLOBCQQD-ZETCQYMHSA-N 0 3 279.308 -1.606 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001441834446 891458930 /nfs/dbraw/zinc/45/89/30/891458930.db2.gz RLMDPZMMLKFBKS-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](CNC(=O)CCNS(C)(=O)=O)NCC(N)=O ZINC001441853820 891458979 /nfs/dbraw/zinc/45/89/79/891458979.db2.gz DNDLHTKDXHBMCB-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001441839801 891459006 /nfs/dbraw/zinc/45/90/06/891459006.db2.gz JBIGDCCLBFGZNM-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ncc[nH]1 ZINC001441844801 891459017 /nfs/dbraw/zinc/45/90/17/891459017.db2.gz XEBNBWQRECPAHV-SSDOTTSWSA-N 0 3 282.304 -1.427 20 0 CAADHN C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)c1nnn(C)n1 ZINC001441839650 891459319 /nfs/dbraw/zinc/45/93/19/891459319.db2.gz PGDCSNFBENJJFF-IUCAKERBSA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)N[C@@H](C)C(=O)N(C)C ZINC001441811224 891459336 /nfs/dbraw/zinc/45/93/36/891459336.db2.gz KHDBKUSODGDWNI-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1C ZINC001441834496 891459349 /nfs/dbraw/zinc/45/93/49/891459349.db2.gz RQTNVIUBBSJEHP-BDAKNGLRSA-N 0 3 291.373 -1.644 20 0 CAADHN Cc1ccnc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)n1 ZINC001441815572 891459417 /nfs/dbraw/zinc/45/94/17/891459417.db2.gz GRKUGZWOVRFHEL-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)NCCS(C)(=O)=O ZINC001441856568 891459482 /nfs/dbraw/zinc/45/94/82/891459482.db2.gz ICMJFXIQJSKBTQ-QMMMGPOBSA-N 0 3 294.377 -1.946 20 0 CAADHN C[C@H](CNC(=O)c1cnn2ccncc12)NCC(N)=O ZINC001441845115 891459542 /nfs/dbraw/zinc/45/95/42/891459542.db2.gz SKHHMCMQSREOEO-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N[C@@H]1CCNC1=O ZINC001441874751 891460937 /nfs/dbraw/zinc/46/09/37/891460937.db2.gz XPIPNFHVGJZVHW-RKDXNWHRSA-N 0 3 293.327 -1.623 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)c2nnn(C)n2)n[nH]1 ZINC001441907692 891461016 /nfs/dbraw/zinc/46/10/16/891461016.db2.gz BALQZXJGQXGSNK-ZCFIWIBFSA-N 0 3 279.308 -1.455 20 0 CAADHN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)N[C@H]1CCNC1=O ZINC001441894387 891461117 /nfs/dbraw/zinc/46/11/17/891461117.db2.gz UCRDMNRNSAAHQX-SFYZADRCSA-N 0 3 294.311 -1.025 20 0 CAADHN CNS(=O)(=O)CCC(=O)NC[C@H](C)NCC(N)=O ZINC001441862910 891461200 /nfs/dbraw/zinc/46/12/00/891461200.db2.gz WZSIWFXNXDUHES-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN Cc1nn(C)c(=O)c(C(=O)NC[C@@H](C)NCC(N)=O)c1C ZINC001441912509 891461681 /nfs/dbraw/zinc/46/16/81/891461681.db2.gz IRVFAEWJKXWMNN-SSDOTTSWSA-N 0 3 295.343 -1.410 20 0 CAADHN C[C@@H](CNC(=O)c1ccn2nnnc2c1)N[C@@H](C)C(N)=O ZINC001441909308 891461707 /nfs/dbraw/zinc/46/17/07/891461707.db2.gz DAAQUJFPTOSFLI-YUMQZZPRSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](CNC(=O)CCn1ccccc1=O)NCC(N)=O ZINC001441869136 891461775 /nfs/dbraw/zinc/46/17/75/891461775.db2.gz NBDPMAXTNQUQBW-JTQLQIEISA-N 0 3 280.328 -1.182 20 0 CAADHN CNS(=O)(=O)CCC(=O)NC[C@@H](C)NCC(N)=O ZINC001441862907 891461899 /nfs/dbraw/zinc/46/18/99/891461899.db2.gz WZSIWFXNXDUHES-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC001441864313 891462213 /nfs/dbraw/zinc/46/22/13/891462213.db2.gz NIJGNPVJKSSGFC-IUCAKERBSA-N 0 3 287.364 -1.514 20 0 CAADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)N[C@@H](C)C(N)=O ZINC001441881297 891462261 /nfs/dbraw/zinc/46/22/61/891462261.db2.gz UKVHATRSMASFGO-SFYZADRCSA-N 0 3 284.320 -2.450 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001441881289 891462452 /nfs/dbraw/zinc/46/24/52/891462452.db2.gz UKVHATRSMASFGO-JGVFFNPUSA-N 0 3 284.320 -2.450 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001441905580 891462572 /nfs/dbraw/zinc/46/25/72/891462572.db2.gz SMCAVRGLZLEVMZ-QMMMGPOBSA-N 0 3 297.315 -2.211 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)N[C@@H](C)C(N)=O ZINC001441902826 891462814 /nfs/dbraw/zinc/46/28/14/891462814.db2.gz FTCBYXAKMNVWLH-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001441905573 891463510 /nfs/dbraw/zinc/46/35/10/891463510.db2.gz SMCAVRGLZLEVMZ-MRVPVSSYSA-N 0 3 297.315 -2.211 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CN1CCCNC1=O)C(N)=O ZINC001441865058 891463520 /nfs/dbraw/zinc/46/35/20/891463520.db2.gz DGMJDKCTCHYYFN-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)N(C)C ZINC001441863844 891463548 /nfs/dbraw/zinc/46/35/48/891463548.db2.gz NIJGNPVJKSSGFC-BDAKNGLRSA-N 0 3 287.364 -1.514 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)NCc1n[nH]c(C)n1 ZINC001441876399 891463580 /nfs/dbraw/zinc/46/35/80/891463580.db2.gz ZUXJQUJPBRDMIJ-ZETCQYMHSA-N 0 3 283.336 -1.364 20 0 CAADHN CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001441908638 891463592 /nfs/dbraw/zinc/46/35/92/891463592.db2.gz CFFLTPOBYMVOHE-SECBINFHSA-N 0 3 297.363 -1.215 20 0 CAADHN CCN1CC[C@@H](N[C@H](C)CNC(=O)c2nnn(C)n2)C1=O ZINC001441917614 891464751 /nfs/dbraw/zinc/46/47/51/891464751.db2.gz OTGZRQHSJZNJGI-RKDXNWHRSA-N 0 3 295.347 -1.461 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001441949906 891464891 /nfs/dbraw/zinc/46/48/91/891464891.db2.gz JWVXFTLNYMWYIV-SNVBAGLBSA-N 0 3 288.348 -2.380 20 0 CAADHN C[C@H](CNC(=O)c1ccnc2c1nnn2C)NCC(N)=O ZINC001441941593 891465153 /nfs/dbraw/zinc/46/51/53/891465153.db2.gz NVQYAMOHLWMTKU-SSDOTTSWSA-N 0 3 291.315 -1.444 20 0 CAADHN CCN1CC[C@H](N[C@@H](C)CNC(=O)c2nnn(C)n2)C1=O ZINC001441917608 891465169 /nfs/dbraw/zinc/46/51/69/891465169.db2.gz OTGZRQHSJZNJGI-IUCAKERBSA-N 0 3 295.347 -1.461 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)C(F)F ZINC001441944100 891465281 /nfs/dbraw/zinc/46/52/81/891465281.db2.gz ITLGMEPGSCSLLS-JGVFFNPUSA-N 0 3 279.287 -1.109 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001441953867 891465299 /nfs/dbraw/zinc/46/52/99/891465299.db2.gz QPEXXNAPFMOZPO-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@H]1CCCN(C)C1=O ZINC001441936802 891465341 /nfs/dbraw/zinc/46/53/41/891465341.db2.gz NYAYPJMKBFIFKF-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CCN1CC[C@H](N[C@H](C)CNC(=O)c2nnn(C)n2)C1=O ZINC001441917594 891465520 /nfs/dbraw/zinc/46/55/20/891465520.db2.gz OTGZRQHSJZNJGI-BDAKNGLRSA-N 0 3 295.347 -1.461 20 0 CAADHN CC(C)CNC(=O)CN[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001441952400 891465608 /nfs/dbraw/zinc/46/56/08/891465608.db2.gz PFVUHAGRORQAJF-MXWKQRLJSA-N 0 3 298.387 -1.026 20 0 CAADHN CC1(C)CN(C(=O)CCNC(N)=O)C[C@H]1NCC(N)=O ZINC001441935856 891465718 /nfs/dbraw/zinc/46/57/18/891465718.db2.gz PFQIHLAFIYLDJB-MRVPVSSYSA-N 0 3 285.348 -1.643 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccncc1 ZINC001441949116 891465737 /nfs/dbraw/zinc/46/57/37/891465737.db2.gz QVIZOYBBPBPKHM-NSHDSACASA-N 0 3 280.328 -1.150 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1c[nH]c(=O)n1C ZINC001441918752 891466039 /nfs/dbraw/zinc/46/60/39/891466039.db2.gz LRMIGONEEFEDIN-SFYZADRCSA-N 0 3 283.332 -1.032 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@@H]1CCCN(C)C1=O ZINC001441936799 891466059 /nfs/dbraw/zinc/46/60/59/891466059.db2.gz NYAYPJMKBFIFKF-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001441941695 891466087 /nfs/dbraw/zinc/46/60/87/891466087.db2.gz NVUJLYIYRTZNDU-YUMQZZPRSA-N 0 3 281.316 -1.258 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)NCC(=O)N(C)C ZINC001441943337 891466105 /nfs/dbraw/zinc/46/61/05/891466105.db2.gz SEGCFFWYIMPBFW-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001441941676 891466339 /nfs/dbraw/zinc/46/63/39/891466339.db2.gz NVUJLYIYRTZNDU-HTQZYQBOSA-N 0 3 281.316 -1.258 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1c[nH]c(=O)n1C ZINC001441918744 891466359 /nfs/dbraw/zinc/46/63/59/891466359.db2.gz LRMIGONEEFEDIN-HTQZYQBOSA-N 0 3 283.332 -1.032 20 0 CAADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)NCC(=O)N(C)C ZINC001441940387 891466466 /nfs/dbraw/zinc/46/64/66/891466466.db2.gz ADMPJBJTFIQECP-JTQLQIEISA-N 0 3 296.375 -1.070 20 0 CAADHN CCN1CC[C@@H](N[C@@H](C)CNC(=O)c2nnn(C)n2)C1=O ZINC001441917601 891466479 /nfs/dbraw/zinc/46/64/79/891466479.db2.gz OTGZRQHSJZNJGI-DTWKUNHWSA-N 0 3 295.347 -1.461 20 0 CAADHN CCCCC(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001441950491 891466539 /nfs/dbraw/zinc/46/65/39/891466539.db2.gz OALJXXXLJFVKCV-VIFPVBQESA-N 0 3 288.348 -1.220 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)C(F)F ZINC001441944846 891466553 /nfs/dbraw/zinc/46/65/53/891466553.db2.gz ITLGMEPGSCSLLS-SFYZADRCSA-N 0 3 279.287 -1.109 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1)C(N)=O ZINC001441957786 891468068 /nfs/dbraw/zinc/46/80/68/891468068.db2.gz RHRQJDVCJGRBNC-MNOVXSKESA-N 0 3 297.359 -1.294 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001441968269 891468113 /nfs/dbraw/zinc/46/81/13/891468113.db2.gz CRZAAFLEXYFHID-IUCAKERBSA-N 0 3 283.332 -1.433 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cnn(C)c1)C(N)=O ZINC001441957788 891468143 /nfs/dbraw/zinc/46/81/43/891468143.db2.gz RHRQJDVCJGRBNC-QWRGUYRKSA-N 0 3 297.359 -1.294 20 0 CAADHN Cc1c(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)nnn1C ZINC001441962390 891468243 /nfs/dbraw/zinc/46/82/43/891468243.db2.gz UWQLPNYUEISFPW-VXNVDRBHSA-N 0 3 298.347 -1.980 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001441968262 891468252 /nfs/dbraw/zinc/46/82/52/891468252.db2.gz CRZAAFLEXYFHID-BDAKNGLRSA-N 0 3 283.332 -1.433 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](O)CNCC(N)=O)co1 ZINC001441969428 891468262 /nfs/dbraw/zinc/46/82/62/891468262.db2.gz JRMWCOLFAJXFMP-MRVPVSSYSA-N 0 3 270.289 -1.509 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cncn1C ZINC001441976504 891468282 /nfs/dbraw/zinc/46/82/82/891468282.db2.gz ARTXQBDDQTXRQA-VHSXEESVSA-N 0 3 295.343 -1.669 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C1=COCCO1 ZINC001441954431 891468327 /nfs/dbraw/zinc/46/83/27/891468327.db2.gz MVCAGTAQPAPBDF-VHSXEESVSA-N 0 3 299.327 -1.828 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cc[nH]n1)C(=O)N(C)C ZINC001441965677 891468377 /nfs/dbraw/zinc/46/83/77/891468377.db2.gz QHUGFHAPRHFSBK-VHSXEESVSA-N 0 3 297.359 -1.091 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001441975213 891468825 /nfs/dbraw/zinc/46/88/25/891468825.db2.gz ALZIXCMSVQYJMK-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001441975203 891468687 /nfs/dbraw/zinc/46/86/87/891468687.db2.gz ALZIXCMSVQYJMK-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN CC[C@H](OC)C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001441974382 891469021 /nfs/dbraw/zinc/46/90/21/891469021.db2.gz YYOINAMYIDJADA-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccncc1F ZINC001441964844 891469083 /nfs/dbraw/zinc/46/90/83/891469083.db2.gz ZVZSQTAWNKPCHY-QMMMGPOBSA-N 0 3 284.291 -1.272 20 0 CAADHN Cc1c(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)nnn1C ZINC001441962387 891469101 /nfs/dbraw/zinc/46/91/01/891469101.db2.gz UWQLPNYUEISFPW-IONNQARKSA-N 0 3 298.347 -1.980 20 0 CAADHN CC[C@@H](OC)C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001441974377 891469294 /nfs/dbraw/zinc/46/92/94/891469294.db2.gz YYOINAMYIDJADA-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)c1cc[nH]n1 ZINC001441954573 891469360 /nfs/dbraw/zinc/46/93/60/891469360.db2.gz WMPBRXMADUYSEH-JTQLQIEISA-N 0 3 295.343 -1.289 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001441965236 891469552 /nfs/dbraw/zinc/46/95/52/891469552.db2.gz KKOCJPLFYAKUIR-VIFPVBQESA-N 0 3 283.332 -1.811 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnn(C)c1N ZINC001441968299 891469719 /nfs/dbraw/zinc/46/97/19/891469719.db2.gz IHICZGDQELPITR-MRVPVSSYSA-N 0 3 298.347 -2.229 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001441973927 891469974 /nfs/dbraw/zinc/46/99/74/891469974.db2.gz OYQWHNMVCRPOIO-DTWKUNHWSA-N 0 3 297.319 -3.030 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(C)n[nH]1 ZINC001441967377 891470361 /nfs/dbraw/zinc/47/03/61/891470361.db2.gz SDKVYWGYRAPAAE-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(C)[nH]n1 ZINC001441967377 891470364 /nfs/dbraw/zinc/47/03/64/891470364.db2.gz SDKVYWGYRAPAAE-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)Cn1ncnn1 ZINC001441973929 891470543 /nfs/dbraw/zinc/47/05/43/891470543.db2.gz OYQWHNMVCRPOIO-RKDXNWHRSA-N 0 3 297.319 -3.030 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cn[nH]c1)C(=O)N(C)C ZINC001441971000 891470553 /nfs/dbraw/zinc/47/05/53/891470553.db2.gz XIYMWIZCZLCUQZ-GXSJLCMTSA-N 0 3 297.359 -1.091 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1csnn1 ZINC001442001545 891471419 /nfs/dbraw/zinc/47/14/19/891471419.db2.gz ZIPOGZGFOPWYKM-ZETCQYMHSA-N 0 3 287.345 -1.693 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnco1 ZINC001441980352 891471702 /nfs/dbraw/zinc/47/17/02/891471702.db2.gz GMFMJARAVXMSFW-DTWKUNHWSA-N 0 3 282.300 -1.414 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1c[nH]nc1C ZINC001442001317 891471936 /nfs/dbraw/zinc/47/19/36/891471936.db2.gz YXAWLTXKTRUVDF-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1ccn(C)n1 ZINC001441980182 891472188 /nfs/dbraw/zinc/47/21/88/891472188.db2.gz WBWCAUDMHBRGBP-LLVKDONJSA-N 0 3 297.359 -1.883 20 0 CAADHN C[C@@H](CNC(=O)CCn1cnnn1)N[C@@H]1CCCNC1=O ZINC001441997762 891472127 /nfs/dbraw/zinc/47/21/27/891472127.db2.gz DCMUCFJOXNSQNG-VHSXEESVSA-N 0 3 295.347 -1.564 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001441996569 891472291 /nfs/dbraw/zinc/47/22/91/891472291.db2.gz NBDYVRGXCSESLS-DTWKUNHWSA-N 0 3 296.331 -2.274 20 0 CAADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)N[C@H]1CCNC1=O ZINC001441993517 891472416 /nfs/dbraw/zinc/47/24/16/891472416.db2.gz ZGFXHJKORFPYRC-APPZFPTMSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cncn1C)C(N)=O ZINC001441988357 891472440 /nfs/dbraw/zinc/47/24/40/891472440.db2.gz QBDXJMXLACMXJB-IUCAKERBSA-N 0 3 283.332 -1.684 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1n[nH]c2c1CCC2 ZINC001441998614 891472524 /nfs/dbraw/zinc/47/25/24/891472524.db2.gz MLASDCJTSWAEHZ-MRVPVSSYSA-N 0 3 295.343 -1.594 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001441985150 891472603 /nfs/dbraw/zinc/47/26/03/891472603.db2.gz GELHBPUZJRJOJQ-YUMQZZPRSA-N 0 3 287.320 -3.177 20 0 CAADHN COC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001441996259 891472742 /nfs/dbraw/zinc/47/27/42/891472742.db2.gz KCLGWTVHFGAPKN-IUCAKERBSA-N 0 3 287.320 -2.166 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](O)C[NH2+]C[C@@H](C)O ZINC001441978509 891472755 /nfs/dbraw/zinc/47/27/55/891472755.db2.gz AEQKROKWLACORU-PSASIEDQSA-N 0 3 298.343 -1.106 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H](O)C[NH2+]C[C@H](C)O ZINC001441978548 891472799 /nfs/dbraw/zinc/47/27/99/891472799.db2.gz AEQKROKWLACORU-WCBMZHEXSA-N 0 3 298.343 -1.106 20 0 CAADHN C[C@@H](CNC(=O)CCn1cnnn1)N[C@H]1CCCNC1=O ZINC001441997757 891472934 /nfs/dbraw/zinc/47/29/34/891472934.db2.gz DCMUCFJOXNSQNG-UWVGGRQHSA-N 0 3 295.347 -1.564 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnco1 ZINC001441997090 891473199 /nfs/dbraw/zinc/47/31/99/891473199.db2.gz SFHQRXNOPSRMBG-SECBINFHSA-N 0 3 284.316 -1.167 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](O)C[NH2+]C[C@H](C)O ZINC001441978561 891473265 /nfs/dbraw/zinc/47/32/65/891473265.db2.gz AEQKROKWLACORU-WPRPVWTQSA-N 0 3 298.343 -1.106 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001441996566 891473335 /nfs/dbraw/zinc/47/33/35/891473335.db2.gz NBDYVRGXCSESLS-BDAKNGLRSA-N 0 3 296.331 -2.274 20 0 CAADHN COc1nc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)co1 ZINC001441991301 891473349 /nfs/dbraw/zinc/47/33/49/891473349.db2.gz NUERETHWDGHRPD-ZETCQYMHSA-N 0 3 286.288 -1.809 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1c[nH]nc1C ZINC001441978728 891473387 /nfs/dbraw/zinc/47/33/87/891473387.db2.gz DYBOPPNYDCDEOZ-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)CC(C)(C)O ZINC001442003715 891473410 /nfs/dbraw/zinc/47/34/10/891473410.db2.gz XTJWXCAVGQVDAC-SNVBAGLBSA-N 0 3 289.376 -1.308 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1)C(N)=O ZINC001441985388 891473447 /nfs/dbraw/zinc/47/34/47/891473447.db2.gz AFRGAIUKMYYBHQ-YUMQZZPRSA-N 0 3 299.331 -1.978 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)CC(C)(C)O ZINC001442003712 891473514 /nfs/dbraw/zinc/47/35/14/891473514.db2.gz XTJWXCAVGQVDAC-JTQLQIEISA-N 0 3 289.376 -1.308 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001441988843 891473620 /nfs/dbraw/zinc/47/36/20/891473620.db2.gz MAUAGGFVZNOICM-SECBINFHSA-N 0 3 298.347 -1.776 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cccnn1 ZINC001442028545 891474973 /nfs/dbraw/zinc/47/49/73/891474973.db2.gz XABSHSNVNOCGSB-VHSXEESVSA-N 0 3 293.327 -1.612 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)C(C)(C)C ZINC001442018801 891475181 /nfs/dbraw/zinc/47/51/81/891475181.db2.gz BNLQACHEQIIBFW-MRVPVSSYSA-N 0 3 288.348 -1.364 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cccnn1 ZINC001442028542 891475284 /nfs/dbraw/zinc/47/52/84/891475284.db2.gz XABSHSNVNOCGSB-UWVGGRQHSA-N 0 3 293.327 -1.612 20 0 CAADHN Cc1ccnn1CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001442015444 891475303 /nfs/dbraw/zinc/47/53/03/891475303.db2.gz KZJQSQIHUQEMGR-QWRGUYRKSA-N 0 3 297.359 -1.526 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001442019610 891475321 /nfs/dbraw/zinc/47/53/21/891475321.db2.gz TXMFDPHALDSNAZ-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)NCC(=O)N(C)C1CC1 ZINC001442035940 891475350 /nfs/dbraw/zinc/47/53/50/891475350.db2.gz MXHMCSIRQBYREP-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1c[nH]nc1C1CC1 ZINC001442030541 891475373 /nfs/dbraw/zinc/47/53/73/891475373.db2.gz ICWNSVUKPJZXRQ-VIFPVBQESA-N 0 3 295.343 -1.205 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C(C)(C)c1cnc[nH]1 ZINC001442042766 891475465 /nfs/dbraw/zinc/47/54/65/891475465.db2.gz PJTHROPHJVZFLT-VIFPVBQESA-N 0 3 297.359 -1.419 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001442036906 891475477 /nfs/dbraw/zinc/47/54/77/891475477.db2.gz WRTRDZKWECMRMF-VIFPVBQESA-N 0 3 298.347 -2.026 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001442046928 891475576 /nfs/dbraw/zinc/47/55/76/891475576.db2.gz AGMMJTGYMWTAEE-NSHDSACASA-N 0 3 297.359 -1.620 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cccnn1 ZINC001442028511 891475765 /nfs/dbraw/zinc/47/57/65/891475765.db2.gz XABSHSNVNOCGSB-NXEZZACHSA-N 0 3 293.327 -1.612 20 0 CAADHN Cc1noc(C[NH2+]C[C@@H](O)CN(C)C(=O)c2ncn[n-]2)n1 ZINC001442029536 891476635 /nfs/dbraw/zinc/47/66/35/891476635.db2.gz ZOHQTAYWEHPVAM-MRVPVSSYSA-N 0 3 295.303 -1.281 20 0 CAADHN CN(C[C@@H](O)CNCc1ccnn1C)C(=O)c1nc[nH]n1 ZINC001442027218 891476910 /nfs/dbraw/zinc/47/69/10/891476910.db2.gz WMFQSBYDTLORJH-JTQLQIEISA-N 0 3 293.331 -1.239 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cn1ccccc1=O)C(N)=O ZINC001442039547 891477085 /nfs/dbraw/zinc/47/70/85/891477085.db2.gz QCZAOAXNMIWXIB-VHSXEESVSA-N 0 3 280.328 -1.184 20 0 CAADHN Cc1ccnc2nc(C(=O)NC[C@@H](C)NCC(N)=O)nn21 ZINC001442041489 891477220 /nfs/dbraw/zinc/47/72/20/891477220.db2.gz LZXWOTPODCDULT-SSDOTTSWSA-N 0 3 291.315 -1.374 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001442050227 891478291 /nfs/dbraw/zinc/47/82/91/891478291.db2.gz OMKRKFRKKZFIHH-DTWKUNHWSA-N 0 3 293.389 -1.222 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)C1=COCCO1 ZINC001442049693 891478318 /nfs/dbraw/zinc/47/83/18/891478318.db2.gz VLZSBZQJCWLKBE-JTQLQIEISA-N 0 3 274.317 -1.382 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCCC(N)=O ZINC001442064308 891478533 /nfs/dbraw/zinc/47/85/33/891478533.db2.gz BWZNGYNOINDJRK-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001442066494 891478662 /nfs/dbraw/zinc/47/86/62/891478662.db2.gz GVZMZQRJYMMDCO-SECBINFHSA-N 0 3 286.332 -1.219 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cn(C)c(=O)n1C ZINC001442065948 891478738 /nfs/dbraw/zinc/47/87/38/891478738.db2.gz WEROIIZRCCITGY-MRVPVSSYSA-N 0 3 299.331 -2.768 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001442048591 891479849 /nfs/dbraw/zinc/47/98/49/891479849.db2.gz JWWILMSKXDLHQD-MRVPVSSYSA-N 0 3 295.343 -1.042 20 0 CAADHN C[C@@H](CNC(=O)CCN1CCCC1=O)N[C@@H]1CCNC1=O ZINC001442050251 891480725 /nfs/dbraw/zinc/48/07/25/891480725.db2.gz OPDAYHRBHUSWCP-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CS(=O)(=O)C(C)C ZINC001442048751 891481097 /nfs/dbraw/zinc/48/10/97/891481097.db2.gz NICJCIRBLHRSFD-VIFPVBQESA-N 0 3 293.389 -1.350 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)Cn1ccnc1 ZINC001442055183 891481110 /nfs/dbraw/zinc/48/11/10/891481110.db2.gz HDWGVMXPKHOJIA-MNOVXSKESA-N 0 3 295.343 -1.820 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCCC(N)=O ZINC001442064301 891481263 /nfs/dbraw/zinc/48/12/63/891481263.db2.gz BWZNGYNOINDJRK-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN Cc1cc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)[nH]n1 ZINC001442073651 891481320 /nfs/dbraw/zinc/48/13/20/891481320.db2.gz GOCNMJAEEPVAQP-QMMMGPOBSA-N 0 3 294.315 -1.283 20 0 CAADHN Cc1cc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)n[nH]1 ZINC001442073651 891481326 /nfs/dbraw/zinc/48/13/26/891481326.db2.gz GOCNMJAEEPVAQP-QMMMGPOBSA-N 0 3 294.315 -1.283 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001442071856 891481382 /nfs/dbraw/zinc/48/13/82/891481382.db2.gz XOHNGSOWUPBCMY-RKDXNWHRSA-N 0 3 297.359 -1.304 20 0 CAADHN C[C@H](CNC(=O)CCN1CCCC1=O)N[C@H]1CCNC1=O ZINC001442050249 891481501 /nfs/dbraw/zinc/48/15/01/891481501.db2.gz OPDAYHRBHUSWCP-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001442050230 891481620 /nfs/dbraw/zinc/48/16/20/891481620.db2.gz OMKRKFRKKZFIHH-IUCAKERBSA-N 0 3 293.389 -1.222 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)Cn1ncnn1 ZINC001442145064 891483553 /nfs/dbraw/zinc/48/35/53/891483553.db2.gz PDPVUODBXOJODP-MRVPVSSYSA-N 0 3 283.336 -1.721 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)Cn1ncnn1 ZINC001442145067 891484257 /nfs/dbraw/zinc/48/42/57/891484257.db2.gz PDPVUODBXOJODP-QMMMGPOBSA-N 0 3 283.336 -1.721 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)c1nnn(C)n1)C(C)(C)C)C(N)=O ZINC001442166406 891484707 /nfs/dbraw/zinc/48/47/07/891484707.db2.gz FVHRMGWAMJIONW-JGVFFNPUSA-N 0 3 297.363 -1.182 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC001442298725 891487676 /nfs/dbraw/zinc/48/76/76/891487676.db2.gz ORHUQHWAKMAVQQ-APPZFPTMSA-N 0 3 256.306 -1.632 20 0 CAADHN Cc1nc(CN(C)CCNC(=O)[C@@H]2CN(C)CCO2)n[nH]1 ZINC001442371245 891490738 /nfs/dbraw/zinc/49/07/38/891490738.db2.gz FSZDBUKOUSLLRH-NSHDSACASA-N 0 3 296.375 -1.008 20 0 CAADHN CCC[C@@H](C(=O)NCCN(C)C[C@H](C)O)S(N)(=O)=O ZINC001442481796 891495083 /nfs/dbraw/zinc/49/50/83/891495083.db2.gz PGGFKFGKHVTKLO-UWVGGRQHSA-N 0 3 295.405 -1.128 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001442461648 891495922 /nfs/dbraw/zinc/49/59/22/891495922.db2.gz GWOXKDMVAHXZEI-SECBINFHSA-N 0 3 284.316 -1.622 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001442541841 891498800 /nfs/dbraw/zinc/49/88/00/891498800.db2.gz WQRYISSZGRFCGM-VIFPVBQESA-N 0 3 295.405 -1.257 20 0 CAADHN COC[C@@H](C)N(C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001442586639 891499020 /nfs/dbraw/zinc/49/90/20/891499020.db2.gz FHMZXNJTLZDERA-SNVBAGLBSA-N 0 3 299.375 -1.027 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001442541834 891499180 /nfs/dbraw/zinc/49/91/80/891499180.db2.gz WQRYISSZGRFCGM-SECBINFHSA-N 0 3 295.405 -1.257 20 0 CAADHN CN(CCNC(=O)Cc1cnc[nH]1)CC(=O)NC(N)=O ZINC001442532316 891499911 /nfs/dbraw/zinc/49/99/11/891499911.db2.gz JOOQVBCQXXXUQX-UHFFFAOYSA-N 0 3 282.304 -1.805 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CN3CCC[C@H]3CO2)O1 ZINC001442672633 891504095 /nfs/dbraw/zinc/50/40/95/891504095.db2.gz WNOMGLDVOLXZDY-FIQHERPVSA-N 0 3 297.355 -1.001 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)O1 ZINC001442672637 891505010 /nfs/dbraw/zinc/50/50/10/891505010.db2.gz WNOMGLDVOLXZDY-NOOOWODRSA-N 0 3 297.355 -1.001 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001442879130 891511050 /nfs/dbraw/zinc/51/10/50/891511050.db2.gz WOQCXVRZHSQACC-UWVGGRQHSA-N 0 3 295.347 -1.625 20 0 CAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1(O)COC1 ZINC001442972364 891511547 /nfs/dbraw/zinc/51/15/47/891511547.db2.gz HHKZCDPMBILLTM-LLVKDONJSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CNC(=O)C1CC1 ZINC001443064269 891514094 /nfs/dbraw/zinc/51/40/94/891514094.db2.gz MHGKROHOXPBGEL-LLVKDONJSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001443075862 891514194 /nfs/dbraw/zinc/51/41/94/891514194.db2.gz ATNKKZANQLBWSJ-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001443075855 891514462 /nfs/dbraw/zinc/51/44/62/891514462.db2.gz ATNKKZANQLBWSJ-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CC(=O)N(C)CCN[C@H]1CCN(C)C1=O)NC(N)=O ZINC001443075657 891514529 /nfs/dbraw/zinc/51/45/29/891514529.db2.gz BQSGRJYOSXFYKO-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)CN1CCCC1=O ZINC001443066585 891514741 /nfs/dbraw/zinc/51/47/41/891514741.db2.gz QTGFSXZKYYJBHT-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CN1CCCC1=O ZINC001443069204 891514818 /nfs/dbraw/zinc/51/48/18/891514818.db2.gz WOYNHIYMTOQEQB-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccc(C(N)=O)o1)C(N)=O ZINC001443089360 891514952 /nfs/dbraw/zinc/51/49/52/891514952.db2.gz ZVHHIWQPQAQJPE-ZETCQYMHSA-N 0 3 282.300 -1.086 20 0 CAADHN COCCN(CCNC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001443027366 891515157 /nfs/dbraw/zinc/51/51/57/891515157.db2.gz FJFGYUMACSIQBX-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CCC(=O)N1C ZINC001443084842 891515179 /nfs/dbraw/zinc/51/51/79/891515179.db2.gz KMDGTKOTJBFDQH-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCn1cc(C(=O)N(C)CCN[C@@H]2CCNC2=O)nn1 ZINC001443090513 891515378 /nfs/dbraw/zinc/51/53/78/891515378.db2.gz GBGBSHNFOSWNRJ-SECBINFHSA-N 0 3 280.332 -1.152 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCn1ncn(C)c1=O)C(N)=O ZINC001443061819 891515460 /nfs/dbraw/zinc/51/54/60/891515460.db2.gz BNVPTZJIWGCIQY-VIFPVBQESA-N 0 3 298.347 -2.106 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CN1CCCC1=O ZINC001443069200 891515578 /nfs/dbraw/zinc/51/55/78/891515578.db2.gz WOYNHIYMTOQEQB-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN COc1cc(C(=O)N(C)CCN[C@H](C)C(N)=O)nn1C ZINC001443088667 891516128 /nfs/dbraw/zinc/51/61/28/891516128.db2.gz XYZLLEHFIBJYNC-MRVPVSSYSA-N 0 3 283.332 -1.036 20 0 CAADHN CC[C@H](NCCN(C)C(=O)C[C@H]1CCC(=O)N1)C(N)=O ZINC001443078728 891515688 /nfs/dbraw/zinc/51/56/88/891515688.db2.gz LTCFGQSUKDLUMA-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001443074610 891515785 /nfs/dbraw/zinc/51/57/85/891515785.db2.gz CLCMIWCEKOFXAV-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN C[C@@H](CC(=O)N(C)CCN[C@@H]1CCN(C)C1=O)NC(N)=O ZINC001443075659 891515918 /nfs/dbraw/zinc/51/59/18/891515918.db2.gz BQSGRJYOSXFYKO-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CCn1cncn1 ZINC001443059937 891515998 /nfs/dbraw/zinc/51/59/98/891515998.db2.gz CBSXNOMIIBOTLY-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CCn1ccnn1 ZINC001443085944 891516242 /nfs/dbraw/zinc/51/62/42/891516242.db2.gz VMHKENYKDOMNDC-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CCn1cncn1 ZINC001443069849 891516315 /nfs/dbraw/zinc/51/63/15/891516315.db2.gz YTLQHTPRTNTBSZ-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)C1CS(=O)(=O)C1 ZINC001443084658 891516349 /nfs/dbraw/zinc/51/63/49/891516349.db2.gz ZOLMWGRGZFCFBB-QMMMGPOBSA-N 0 3 291.373 -1.787 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccn(C)c(=O)c1)C(N)=O ZINC001443087342 891516425 /nfs/dbraw/zinc/51/64/25/891516425.db2.gz WKNWBCWCIKHYFJ-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN CNC(=O)NCCC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001443075183 891516436 /nfs/dbraw/zinc/51/64/36/891516436.db2.gz AAUODPSBNXHMLV-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001443075739 891516441 /nfs/dbraw/zinc/51/64/41/891516441.db2.gz IMWOUGSSKLPYBR-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN CNS(=O)(=O)CCC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001443080329 891516510 /nfs/dbraw/zinc/51/65/10/891516510.db2.gz JGUXKWFSHXOOJH-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CCn1cncn1 ZINC001443059933 891516529 /nfs/dbraw/zinc/51/65/29/891516529.db2.gz CBSXNOMIIBOTLY-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CN1CCOCC1)C(N)=O ZINC001443084454 891516550 /nfs/dbraw/zinc/51/65/50/891516550.db2.gz RMRCFLAZUVHSQE-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccc(C(N)=O)o1)C(N)=O ZINC001443089353 891516586 /nfs/dbraw/zinc/51/65/86/891516586.db2.gz ZVHHIWQPQAQJPE-SSDOTTSWSA-N 0 3 282.300 -1.086 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCn1cnnn1)C(=O)N(C)C ZINC001443098630 891517965 /nfs/dbraw/zinc/51/79/65/891517965.db2.gz RAKANFONXOAILU-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)[C@H](C)NC(N)=O)C1 ZINC001443230984 891518466 /nfs/dbraw/zinc/51/84/66/891518466.db2.gz NGMRCRVSKLXHBD-UWVGGRQHSA-N 0 3 299.375 -1.383 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001443104983 891518611 /nfs/dbraw/zinc/51/86/11/891518611.db2.gz QDXPOZSVEVLUES-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1nccnc1N ZINC001443096882 891518703 /nfs/dbraw/zinc/51/87/03/891518703.db2.gz HAJBVDYIZKDMKV-QMMMGPOBSA-N 0 3 278.316 -1.391 20 0 CAADHN CCN1CCN(CCN(C)C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001443289068 891518772 /nfs/dbraw/zinc/51/87/72/891518772.db2.gz ZMJWPLQOCXGXLX-LLVKDONJSA-N 0 3 283.376 -1.236 20 0 CAADHN CCN1CCO[C@H](C(=O)N(C)CCN[C@H]2CCNC2=O)C1 ZINC001443102733 891518993 /nfs/dbraw/zinc/51/89/93/891518993.db2.gz QFJLESPARBHOJV-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN1CCN(CCN(C)C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001443289074 891519044 /nfs/dbraw/zinc/51/90/44/891519044.db2.gz ZMJWPLQOCXGXLX-NSHDSACASA-N 0 3 283.376 -1.236 20 0 CAADHN CCOC(=O)C[C@H](O)C(=O)NCCN(C)CCOC ZINC001443152322 891519123 /nfs/dbraw/zinc/51/91/23/891519123.db2.gz IDQFQLQGXFZWQI-JTQLQIEISA-N 0 3 276.333 -1.005 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001443103716 891519559 /nfs/dbraw/zinc/51/95/59/891519559.db2.gz SOMYKFFYGZLWML-MRVPVSSYSA-N 0 3 283.332 -1.741 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@@H](C)n2cncn2)C1 ZINC001443578045 891532085 /nfs/dbraw/zinc/53/20/85/891532085.db2.gz GRFQIQPMJLVWAT-PWSUYJOCSA-N 0 3 297.359 -1.106 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001443595360 891533616 /nfs/dbraw/zinc/53/36/16/891533616.db2.gz BQKIWNSVZLCBAI-ONGXEEELSA-N 0 3 287.360 -1.447 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001443595321 891534334 /nfs/dbraw/zinc/53/43/34/891534334.db2.gz BJOCDKNTBKRESQ-SNVBAGLBSA-N 0 3 284.360 -2.153 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001443590863 891535300 /nfs/dbraw/zinc/53/53/00/891535300.db2.gz DFVDTOSRVXCVRC-LLVKDONJSA-N 0 3 296.327 -1.149 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001443809664 891537446 /nfs/dbraw/zinc/53/74/46/891537446.db2.gz HEIPLBBDQYDGAD-GHMZBOCLSA-N 0 3 298.347 -1.787 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001443807325 891538296 /nfs/dbraw/zinc/53/82/96/891538296.db2.gz OSPVNTKERYGMCI-WDEREUQCSA-N 0 3 297.359 -1.031 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001443697249 891538730 /nfs/dbraw/zinc/53/87/30/891538730.db2.gz VUNYOKSSUIPHTD-NWDGAFQWSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@H](O)CN1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001443809676 891539853 /nfs/dbraw/zinc/53/98/53/891539853.db2.gz HEIPLBBDQYDGAD-WDEREUQCSA-N 0 3 298.347 -1.787 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)N[C@@H](C)C(=O)N(C)C ZINC001443892848 891541081 /nfs/dbraw/zinc/54/10/81/891541081.db2.gz UFPXRDLNWLSNOK-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)NCc1n[nH]c(C)n1 ZINC001443920565 891541129 /nfs/dbraw/zinc/54/11/29/891541129.db2.gz UZEYAWVYUDZJKH-VIFPVBQESA-N 0 3 293.335 -1.216 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCC(=O)NC1)NCC(=O)NC ZINC001443952406 891541376 /nfs/dbraw/zinc/54/13/76/891541376.db2.gz JIYZDJITXDXUQD-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](CNC(=O)CC1CS(=O)(=O)C1)NCC(N)=O ZINC001443961462 891541689 /nfs/dbraw/zinc/54/16/89/891541689.db2.gz UWXCYFVGAHIAEE-VIFPVBQESA-N 0 3 291.373 -1.609 20 0 CAADHN CC[C@H](CNC(=O)Cc1ccon1)NCC(=O)NC(N)=O ZINC001443907444 891541734 /nfs/dbraw/zinc/54/17/34/891541734.db2.gz YPUHROKXKKLJSZ-MRVPVSSYSA-N 0 3 297.315 -1.104 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)N[C@H](C)C(=O)N(C)C ZINC001443917401 891541755 /nfs/dbraw/zinc/54/17/55/891541755.db2.gz OHAHCBHNRWTYDW-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCCCC1=O)NCC(N)=O ZINC001443950135 891541776 /nfs/dbraw/zinc/54/17/76/891541776.db2.gz GZZJWPXPKKDZHA-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@@H](CC)NCC(N)=O ZINC001443949108 891542007 /nfs/dbraw/zinc/54/20/07/891542007.db2.gz ZOCFVDOUOXKRRX-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)N[C@H](C)C(=O)N(C)C ZINC001443892846 891542237 /nfs/dbraw/zinc/54/22/37/891542237.db2.gz UFPXRDLNWLSNOK-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)N[C@@H](C)C(=O)N(C)C ZINC001443892852 891542271 /nfs/dbraw/zinc/54/22/71/891542271.db2.gz UFPXRDLNWLSNOK-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)NCC(=O)N(C)C ZINC001443911241 891542339 /nfs/dbraw/zinc/54/23/39/891542339.db2.gz BIJJNWIHSFLJMU-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](C)OC)NCC(=O)NC(N)=O ZINC001443886847 891542538 /nfs/dbraw/zinc/54/25/38/891542538.db2.gz FSVHTRPWTSUIEF-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN CCOCC(=O)NC[C@@H](CC)NCC(=O)NC(=O)NC ZINC001443893561 891542589 /nfs/dbraw/zinc/54/25/89/891542589.db2.gz YXDGJPGBGPPQKN-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)N1CCCC1)NCC(N)=O ZINC001443916453 891543729 /nfs/dbraw/zinc/54/37/29/891543729.db2.gz LWJIKFYMWQEECU-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)NC ZINC001443932269 891543450 /nfs/dbraw/zinc/54/34/50/891543450.db2.gz IXNIFOXFTWSGOT-SFYZADRCSA-N 0 3 272.305 -1.675 20 0 CAADHN CCN(C(=O)CN1CCOCC1=O)[C@@H]1CCN(CCO)C1 ZINC001443858175 891543545 /nfs/dbraw/zinc/54/35/45/891543545.db2.gz CEUQTLSEJFBHNK-GFCCVEGCSA-N 0 3 299.371 -1.240 20 0 CAADHN CC[C@H](CNC(=O)CC1CS(=O)(=O)C1)NCC(N)=O ZINC001443961458 891543686 /nfs/dbraw/zinc/54/36/86/891543686.db2.gz UWXCYFVGAHIAEE-SECBINFHSA-N 0 3 291.373 -1.609 20 0 CAADHN CC[C@@H](CNC(=O)CNC(C)=O)NCCS(C)(=O)=O ZINC001443886233 891543786 /nfs/dbraw/zinc/54/37/86/891543786.db2.gz KWQMIEIBCAFCKX-JTQLQIEISA-N 0 3 293.389 -1.349 20 0 CAADHN CC[C@H](CNC(=O)CN1CCNC(=O)C1)NCC(=O)NC ZINC001443958716 891543916 /nfs/dbraw/zinc/54/39/16/891543916.db2.gz FKFHEBUJKUWHAX-SNVBAGLBSA-N 0 3 299.375 -2.351 20 0 CAADHN CC[C@H](CNC(=O)CN(C)C(C)=O)NCC(=O)NC ZINC001443884236 891543975 /nfs/dbraw/zinc/54/39/75/891543975.db2.gz CVBWHKRYKISEGY-SNVBAGLBSA-N 0 3 272.349 -1.305 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)NCC(N)=O ZINC001443981137 891545693 /nfs/dbraw/zinc/54/56/93/891545693.db2.gz QRDXVKAQVBOHBW-VHSXEESVSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCCS1(=O)=O)NCC(N)=O ZINC001444035720 891545908 /nfs/dbraw/zinc/54/59/08/891545908.db2.gz RFFHVQMZURHBTH-IUCAKERBSA-N 0 3 291.373 -1.467 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001444031756 891546727 /nfs/dbraw/zinc/54/67/27/891546727.db2.gz KXHFDVVAYOGMJL-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)NCC(N)=O ZINC001443981132 891546860 /nfs/dbraw/zinc/54/68/60/891546860.db2.gz QRDXVKAQVBOHBW-NXEZZACHSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCCS1(=O)=O)NCC(N)=O ZINC001444035715 891546887 /nfs/dbraw/zinc/54/68/87/891546887.db2.gz RFFHVQMZURHBTH-BDAKNGLRSA-N 0 3 291.373 -1.467 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NCC(=O)NC ZINC001444049413 891549340 /nfs/dbraw/zinc/54/93/40/891549340.db2.gz ZIZKYRDROGZRLQ-VIFPVBQESA-N 0 3 297.359 -1.432 20 0 CAADHN COCC(=O)NC[C@H](CO)NC(=O)[C@@H](C(C)C)N(C)C ZINC001444062996 891551178 /nfs/dbraw/zinc/55/11/78/891551178.db2.gz QIWRGWWLLGPUBG-ZYHUDNBSSA-N 0 3 289.376 -1.188 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001444101987 891555019 /nfs/dbraw/zinc/55/50/19/891555019.db2.gz LHNQLWZSQLJSAV-ISVAXAHUSA-N 0 3 299.375 -1.336 20 0 CAADHN CC(=O)NCC(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001444089706 891555169 /nfs/dbraw/zinc/55/51/69/891555169.db2.gz ISZRHAADCUOCDP-LBPRGKRZSA-N 0 3 270.333 -1.518 20 0 CAADHN CC(=O)NCC(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001444089705 891555720 /nfs/dbraw/zinc/55/57/20/891555720.db2.gz ISZRHAADCUOCDP-GFCCVEGCSA-N 0 3 270.333 -1.518 20 0 CAADHN Cn1cc(C(=O)N[C@](C)(CNCC(N)=O)C2CC2)nn1 ZINC001444120520 891557870 /nfs/dbraw/zinc/55/78/70/891557870.db2.gz LXKCIPCDAIDCGY-GFCCVEGCSA-N 0 3 280.332 -1.212 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)[C@@H](C)CN[C@@H](C)C(N)=O ZINC001444732377 891588048 /nfs/dbraw/zinc/58/80/48/891588048.db2.gz XFBRFKUOWILWOT-YUMQZZPRSA-N 0 3 294.377 -2.154 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)c1ccn[nH]1 ZINC001444226256 891563059 /nfs/dbraw/zinc/56/30/59/891563059.db2.gz NFZQDZCZUIXZHC-SNVBAGLBSA-N 0 3 297.359 -1.043 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H]1CN[C@H](C)C(=O)NC ZINC001444243022 891563781 /nfs/dbraw/zinc/56/37/81/891563781.db2.gz IRVVBASRORGKJQ-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1C ZINC001444249193 891563890 /nfs/dbraw/zinc/56/38/90/891563890.db2.gz WTHXKBVSRAIOFX-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](CNCc1nccn1C)CNC(=O)Cn1cnnn1 ZINC001444278829 891566759 /nfs/dbraw/zinc/56/67/59/891566759.db2.gz ANQHXQYYWFNKKY-SNVBAGLBSA-N 0 3 292.347 -1.051 20 0 CAADHN C[C@@H](CNCc1nccn1C)CNC(=O)Cn1cnnn1 ZINC001444278825 891568715 /nfs/dbraw/zinc/56/87/15/891568715.db2.gz ANQHXQYYWFNKKY-JTQLQIEISA-N 0 3 292.347 -1.051 20 0 CAADHN C[C@H](CNCc1nccn1C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001444385891 891572626 /nfs/dbraw/zinc/57/26/26/891572626.db2.gz QJNMVJLTUQWSJY-ZJUUUORDSA-N 0 3 294.359 -1.057 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)C[NH2+]CC(=O)N(C)C ZINC001444404285 891573278 /nfs/dbraw/zinc/57/32/78/891573278.db2.gz IMDWSGDCTFZDJM-VIFPVBQESA-N 0 3 282.348 -1.223 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@@H]1CCN(C)C1=O ZINC001444389400 891574722 /nfs/dbraw/zinc/57/47/22/891574722.db2.gz MZUFFLWVFWLTRY-VHSXEESVSA-N 0 3 294.359 -1.080 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@H]1CCN(C)C1=O ZINC001444389397 891575190 /nfs/dbraw/zinc/57/51/90/891575190.db2.gz MZUFFLWVFWLTRY-UWVGGRQHSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2COC(=O)N2)CCCC1 ZINC001444510760 891577604 /nfs/dbraw/zinc/57/76/04/891577604.db2.gz SRFDYQQBRVPKFQ-SECBINFHSA-N 0 3 298.343 -1.141 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001444577790 891579950 /nfs/dbraw/zinc/57/99/50/891579950.db2.gz FFENLSPRFPFVNI-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H](C)NC(C)=O ZINC001444572033 891580143 /nfs/dbraw/zinc/58/01/43/891580143.db2.gz LFJCAPZXNNGGOF-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1COCCO1 ZINC001444579392 891580176 /nfs/dbraw/zinc/58/01/76/891580176.db2.gz WESHQZJMAGALCA-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CNC(=O)C1CC1 ZINC001444570159 891580333 /nfs/dbraw/zinc/58/03/33/891580333.db2.gz STVKWOBSQSXUDX-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1COCCO1 ZINC001444579394 891580700 /nfs/dbraw/zinc/58/07/00/891580700.db2.gz WESHQZJMAGALCA-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN COC(=O)NCC(=O)N(C)[C@@H](C)CN[C@H](C)C(N)=O ZINC001444569024 891581465 /nfs/dbraw/zinc/58/14/65/891581465.db2.gz PUZVOHFFVWVEQW-JGVFFNPUSA-N 0 3 274.321 -1.347 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](C)CN[C@H]1CCCNC1=O ZINC001444569353 891581893 /nfs/dbraw/zinc/58/18/93/891581893.db2.gz OHDBPSPMRQKJQD-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001444577787 891582049 /nfs/dbraw/zinc/58/20/49/891582049.db2.gz FFENLSPRFPFVNI-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001444626098 891583062 /nfs/dbraw/zinc/58/30/62/891583062.db2.gz LXWOATFOGONZAF-JGVFFNPUSA-N 0 3 291.373 -1.659 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CCn1ccnn1 ZINC001444603321 891583796 /nfs/dbraw/zinc/58/37/96/891583796.db2.gz WVXGMLZSKYALOI-NXEZZACHSA-N 0 3 282.348 -1.022 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001444656362 891583875 /nfs/dbraw/zinc/58/38/75/891583875.db2.gz QGQOTODBTHPXOQ-YUMQZZPRSA-N 0 3 271.321 -2.068 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CNCC(=O)NC1CC1 ZINC001444611242 891583906 /nfs/dbraw/zinc/58/39/06/891583906.db2.gz IHFNRFWGTOHPLA-SECBINFHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001444656358 891584136 /nfs/dbraw/zinc/58/41/36/891584136.db2.gz QGQOTODBTHPXOQ-JGVFFNPUSA-N 0 3 271.321 -2.068 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)c1nccnc1N)C(N)=O ZINC001444606686 891584436 /nfs/dbraw/zinc/58/44/36/891584436.db2.gz SHUHEYAVSCENHU-JGVFFNPUSA-N 0 3 280.332 -1.017 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cnc[n-]c1=O ZINC001444642999 891584542 /nfs/dbraw/zinc/58/45/42/891584542.db2.gz PDBSGPJSIAZZIF-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001444626092 891584767 /nfs/dbraw/zinc/58/47/67/891584767.db2.gz LXWOATFOGONZAF-HTQZYQBOSA-N 0 3 291.373 -1.659 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ccnn1C ZINC001444598475 891584868 /nfs/dbraw/zinc/58/48/68/891584868.db2.gz YYRKRMWHYSQJKI-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001444640311 891585215 /nfs/dbraw/zinc/58/52/15/891585215.db2.gz RVJWMNFXSAWJNP-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001444646094 891585083 /nfs/dbraw/zinc/58/50/83/891585083.db2.gz GIOQRDQNNOTBAS-UWVGGRQHSA-N 0 3 284.360 -1.210 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001444697531 891586617 /nfs/dbraw/zinc/58/66/17/891586617.db2.gz WNZPCRHOYFFGHB-MRVPVSSYSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001444683668 891586766 /nfs/dbraw/zinc/58/67/66/891586766.db2.gz KFVGIEKHCBCNQI-JGVFFNPUSA-N 0 3 294.377 -2.154 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001444687244 891587226 /nfs/dbraw/zinc/58/72/26/891587226.db2.gz OGHKKHNPCYNEPF-YUMQZZPRSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001444692014 891587361 /nfs/dbraw/zinc/58/73/61/891587361.db2.gz NBDMAVBRPRSMRC-SSDOTTSWSA-N 0 3 281.316 -1.351 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001444697539 891587485 /nfs/dbraw/zinc/58/74/85/891587485.db2.gz WNZPCRHOYFFGHB-QMMMGPOBSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cnn(C)n1 ZINC001444688345 891588091 /nfs/dbraw/zinc/58/80/91/891588091.db2.gz NJUAADOWULZRAB-SSDOTTSWSA-N 0 3 297.319 -1.940 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)[C@H](C)CN[C@@H](C)C(N)=O ZINC001444732372 891588124 /nfs/dbraw/zinc/58/81/24/891588124.db2.gz XFBRFKUOWILWOT-SFYZADRCSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cc1cnc[nH]1 ZINC001444697855 891588220 /nfs/dbraw/zinc/58/82/20/891588220.db2.gz ZYPIKBBKXLHTJB-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCCC(N)=O ZINC001444730568 891588434 /nfs/dbraw/zinc/58/84/34/891588434.db2.gz RNRPLHPQOANHSC-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001444692023 891588445 /nfs/dbraw/zinc/58/84/45/891588445.db2.gz NBDMAVBRPRSMRC-ZETCQYMHSA-N 0 3 281.316 -1.351 20 0 CAADHN CC(C)[C@H](CNC(=O)CN1CCOCC1)NCC(N)=O ZINC001444854150 891589470 /nfs/dbraw/zinc/58/94/70/891589470.db2.gz DCXSUVXSXHJDHE-NSHDSACASA-N 0 3 286.376 -1.466 20 0 CAADHN CNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001444762376 891590088 /nfs/dbraw/zinc/59/00/88/891590088.db2.gz PSQSLCBNWZBAJP-AXFHLTTASA-N 0 3 298.387 -1.026 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CCC(=O)NC1)C(C)C ZINC001444881707 891590218 /nfs/dbraw/zinc/59/02/18/891590218.db2.gz OYFQFBWGHDYUAH-WDEREUQCSA-N 0 3 298.387 -1.011 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)Cn1ncnn1)C(C)C ZINC001444879906 891591416 /nfs/dbraw/zinc/59/14/16/891591416.db2.gz YJKGWSRVFVXTKT-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C(C)C ZINC001444881705 891591695 /nfs/dbraw/zinc/59/16/95/891591695.db2.gz OYFQFBWGHDYUAH-QWRGUYRKSA-N 0 3 298.387 -1.011 20 0 CAADHN CN(CCCO)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445043231 891592874 /nfs/dbraw/zinc/59/28/74/891592874.db2.gz BSXDSQDHUAFLMX-VIFPVBQESA-N 0 3 286.332 -1.643 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001445011941 891593059 /nfs/dbraw/zinc/59/30/59/891593059.db2.gz VUDDNVXJWYXIMY-JTQLQIEISA-N 0 3 285.348 -1.647 20 0 CAADHN CN(CCO)CCN(C)C(=O)CN1CCC(=O)NC1=O ZINC001445071308 891593844 /nfs/dbraw/zinc/59/38/44/891593844.db2.gz SFBDTTWKWOEJBO-UHFFFAOYSA-N 0 3 286.332 -1.689 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001444990976 891594520 /nfs/dbraw/zinc/59/45/20/891594520.db2.gz QWIBXPFNUKSMJA-SNVBAGLBSA-N 0 3 295.405 -1.303 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001445036686 891594976 /nfs/dbraw/zinc/59/49/76/891594976.db2.gz XQRWKPBENRRGRM-SNVBAGLBSA-N 0 3 298.343 -1.219 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)COC ZINC001445105921 891597443 /nfs/dbraw/zinc/59/74/43/891597443.db2.gz FYOMYFDNZSDFCM-MRVPVSSYSA-N 0 3 290.320 -2.455 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCOC1)N1CCC1 ZINC001445131685 891598221 /nfs/dbraw/zinc/59/82/21/891598221.db2.gz HKHSIMYSWWSORV-GHMZBOCLSA-N 0 3 285.344 -1.678 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)C1=COCCO1)C(N)=O ZINC001445129603 891598231 /nfs/dbraw/zinc/59/82/31/891598231.db2.gz DKRODWHBMTYLOO-IUCAKERBSA-N 0 3 287.316 -1.795 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001445125571 891598334 /nfs/dbraw/zinc/59/83/34/891598334.db2.gz CCUJWHGCZYEKNY-JTQLQIEISA-N 0 3 298.347 -1.842 20 0 CAADHN CCn1nnc(C)c1CNC[C@@H](O)CNC(=O)COC ZINC001445105084 891598500 /nfs/dbraw/zinc/59/85/00/891598500.db2.gz FDEWKUIZQBHUDX-SNVBAGLBSA-N 0 3 285.348 -1.180 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)C2CCOCC2)C1=O ZINC001445111434 891598527 /nfs/dbraw/zinc/59/85/27/891598527.db2.gz ANDBYJNMZOENBR-RYUDHWBXSA-N 0 3 299.371 -1.290 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCC(=O)N(C)C1CC1 ZINC001445117087 891598640 /nfs/dbraw/zinc/59/86/40/891598640.db2.gz QOODFXHZGRGRDI-JTQLQIEISA-N 0 3 273.333 -1.680 20 0 CAADHN CC(=O)NC[C@H](O)CN[C@H](C)C(=O)NC(=O)NC(C)C ZINC001445108408 891598721 /nfs/dbraw/zinc/59/87/21/891598721.db2.gz JGURIYFZZCWNDW-PSASIEDQSA-N 0 3 288.348 -1.304 20 0 CAADHN COCC(=O)NC[C@H](O)CNCc1cccc(C(N)=O)c1 ZINC001445117174 891599069 /nfs/dbraw/zinc/59/90/69/891599069.db2.gz RDPLBMRIJJSHTM-GFCCVEGCSA-N 0 3 295.339 -1.001 20 0 CAADHN COCC(=O)NC[C@H](O)CNCC(=O)NC(C)(C)C ZINC001445119228 891599651 /nfs/dbraw/zinc/59/96/51/891599651.db2.gz UNHFVBQOKCDBCT-SECBINFHSA-N 0 3 275.349 -1.386 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)n(C)n1 ZINC001445128264 891599866 /nfs/dbraw/zinc/59/98/66/891599866.db2.gz DBWARSIAWUHXQF-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C1CCOCC1 ZINC001445114715 891600294 /nfs/dbraw/zinc/60/02/94/891600294.db2.gz FLESPTUAZXJVMP-KOLCDFICSA-N 0 3 287.360 -1.386 20 0 CAADHN Cc1[nH]nc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)c1C ZINC001445145440 891601490 /nfs/dbraw/zinc/60/14/90/891601490.db2.gz CICLAWZWSUNSFO-ZJUUUORDSA-N 0 3 295.343 -1.405 20 0 CAADHN CO[C@@H](C(=O)NC[C@@H](O)CNCC(=O)N1CCC1)C1CC1 ZINC001445145516 891601592 /nfs/dbraw/zinc/60/15/92/891601592.db2.gz BUDSEOASOOFDQJ-WCQYABFASA-N 0 3 299.371 -1.290 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCCCO1)NC1CC1 ZINC001445146476 891601602 /nfs/dbraw/zinc/60/16/02/891601602.db2.gz ALJVEUCMUNLSCQ-NEPJUHHUSA-N 0 3 299.371 -1.099 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001445140246 891601711 /nfs/dbraw/zinc/60/17/11/891601711.db2.gz LQPHTGQKSLQCMN-BXKDBHETSA-N 0 3 297.359 -1.489 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccnn1C ZINC001445137087 891602395 /nfs/dbraw/zinc/60/23/95/891602395.db2.gz OYXMSZCAGWGXSL-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN CCCCC(=O)NC[C@@H](O)CNCC(=O)NC(=O)NC ZINC001445134240 891602866 /nfs/dbraw/zinc/60/28/66/891602866.db2.gz KBFKWFAPOGHZED-VIFPVBQESA-N 0 3 288.348 -1.301 20 0 CAADHN Cc1[nH]nc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)c1C ZINC001445145435 891602950 /nfs/dbraw/zinc/60/29/50/891602950.db2.gz CICLAWZWSUNSFO-UWVGGRQHSA-N 0 3 295.343 -1.405 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001445137141 891603024 /nfs/dbraw/zinc/60/30/24/891603024.db2.gz PEHUAUKFKPDJOI-SNVBAGLBSA-N 0 3 296.327 -1.058 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cnn1C ZINC001445145030 891603436 /nfs/dbraw/zinc/60/34/36/891603436.db2.gz YFLYXIFMZCLVTO-IONNQARKSA-N 0 3 283.332 -1.717 20 0 CAADHN Cc1cnc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)cn1 ZINC001445135194 891603481 /nfs/dbraw/zinc/60/34/81/891603481.db2.gz IPMGQBMCKBOPNB-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN Cc1[nH]nc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)c1C ZINC001445145438 891603517 /nfs/dbraw/zinc/60/35/17/891603517.db2.gz CICLAWZWSUNSFO-VHSXEESVSA-N 0 3 295.343 -1.405 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001445132373 891603640 /nfs/dbraw/zinc/60/36/40/891603640.db2.gz KPJVKMRUNKZPLV-SNVBAGLBSA-N 0 3 283.332 -1.962 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnc(C)cn1 ZINC001445138099 891603711 /nfs/dbraw/zinc/60/37/11/891603711.db2.gz KIOBNPGNFWZWRF-SECBINFHSA-N 0 3 281.316 -1.789 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCCCO1)NC1CC1 ZINC001445146484 891603852 /nfs/dbraw/zinc/60/38/52/891603852.db2.gz ALJVEUCMUNLSCQ-NWDGAFQWSA-N 0 3 299.371 -1.099 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)on1 ZINC001445134579 891603908 /nfs/dbraw/zinc/60/39/08/891603908.db2.gz OXMPJDAGTCQDCC-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN CO[C@H](C(=O)NC[C@@H](O)CNCC(=O)N1CCC1)C1CC1 ZINC001445145513 891604208 /nfs/dbraw/zinc/60/42/08/891604208.db2.gz BUDSEOASOOFDQJ-AAEUAGOBSA-N 0 3 299.371 -1.290 20 0 CAADHN Cc1cc(CC(=O)NC[C@H](O)CN[C@H]2CCNC2=O)no1 ZINC001445151508 891605120 /nfs/dbraw/zinc/60/51/20/891605120.db2.gz IRUSHVPCPANKFF-MNOVXSKESA-N 0 3 296.327 -1.519 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cncnc1C ZINC001445151008 891605310 /nfs/dbraw/zinc/60/53/10/891605310.db2.gz HZGCMONTKRDSIV-SECBINFHSA-N 0 3 281.316 -1.789 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CNC(C)=O ZINC001445149152 891605582 /nfs/dbraw/zinc/60/55/82/891605582.db2.gz RDELFRJPQCEHCE-IONNQARKSA-N 0 3 274.321 -2.676 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)ncn1 ZINC001445148971 891605616 /nfs/dbraw/zinc/60/56/16/891605616.db2.gz FQNVYDMBMXEBPF-UWVGGRQHSA-N 0 3 293.327 -1.646 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001445152438 891605757 /nfs/dbraw/zinc/60/57/57/891605757.db2.gz HOBINHSWCXZOHR-BDAKNGLRSA-N 0 3 296.327 -1.269 20 0 CAADHN CC1(C)C[C@H]1C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001445153304 891605786 /nfs/dbraw/zinc/60/57/86/891605786.db2.gz LKCXFNKXDQWIEP-SFYZADRCSA-N 0 3 286.332 -1.706 20 0 CAADHN Cc1cc(CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)no1 ZINC001445151556 891605921 /nfs/dbraw/zinc/60/59/21/891605921.db2.gz IVUQYTKBWFNWQZ-WPRPVWTQSA-N 0 3 284.316 -1.534 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001445152451 891605951 /nfs/dbraw/zinc/60/59/51/891605951.db2.gz HOBINHSWCXZOHR-DTWKUNHWSA-N 0 3 296.327 -1.269 20 0 CAADHN Cc1cc(CC(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)no1 ZINC001445151509 891606054 /nfs/dbraw/zinc/60/60/54/891606054.db2.gz IRUSHVPCPANKFF-QWRGUYRKSA-N 0 3 296.327 -1.519 20 0 CAADHN CCc1ocnc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001445149817 891606105 /nfs/dbraw/zinc/60/61/05/891606105.db2.gz DUFYUNSJLUFCBH-RKDXNWHRSA-N 0 3 296.327 -1.194 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001445153723 891606202 /nfs/dbraw/zinc/60/62/02/891606202.db2.gz HOBINHSWCXZOHR-RKDXNWHRSA-N 0 3 296.327 -1.269 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001445152085 891606550 /nfs/dbraw/zinc/60/65/50/891606550.db2.gz JDOXJKUNVQSQMC-YUMQZZPRSA-N 0 3 272.305 -2.935 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1=CCOCC1)N1CCC1 ZINC001445151988 891607214 /nfs/dbraw/zinc/60/72/14/891607214.db2.gz PZVSKWWIRQIRCB-LBPRGKRZSA-N 0 3 297.355 -1.368 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnccn1 ZINC001445154711 891607408 /nfs/dbraw/zinc/60/74/08/891607408.db2.gz WZAWSMLZYXBFAU-SECBINFHSA-N 0 3 281.316 -1.755 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001445152082 891607441 /nfs/dbraw/zinc/60/74/41/891607441.db2.gz JDOXJKUNVQSQMC-SFYZADRCSA-N 0 3 272.305 -2.935 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CNC(=O)C1CC1 ZINC001445149087 891607537 /nfs/dbraw/zinc/60/75/37/891607537.db2.gz GGGHWGRGXLXUMX-QMMMGPOBSA-N 0 3 272.305 -2.935 20 0 CAADHN CC1(C)C[C@H]1C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001445153310 891607591 /nfs/dbraw/zinc/60/75/91/891607591.db2.gz LKCXFNKXDQWIEP-YUMQZZPRSA-N 0 3 286.332 -1.706 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)[nH]1 ZINC001445147533 891607604 /nfs/dbraw/zinc/60/76/04/891607604.db2.gz FOSSSZXUKFZRMX-DTWKUNHWSA-N 0 3 281.316 -1.713 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnnc(C)c1 ZINC001445155230 891607685 /nfs/dbraw/zinc/60/76/85/891607685.db2.gz LRWQCJRAWZHVNI-JTQLQIEISA-N 0 3 281.316 -1.789 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001445152410 891607717 /nfs/dbraw/zinc/60/77/17/891607717.db2.gz VCWNIOAWDVLPNR-SNVBAGLBSA-N 0 3 286.332 -2.579 20 0 CAADHN O=C(NC[C@H](O)CNCc1cccnc1)[C@H]1CCC(=O)N1 ZINC001445151454 891607725 /nfs/dbraw/zinc/60/77/25/891607725.db2.gz IHUVUDJEAGSEJI-VXGBXAGGSA-N 0 3 292.339 -1.073 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001445152073 891607855 /nfs/dbraw/zinc/60/78/55/891607855.db2.gz JDOXJKUNVQSQMC-HTQZYQBOSA-N 0 3 272.305 -2.935 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CNC(C)=O ZINC001445149158 891607864 /nfs/dbraw/zinc/60/78/64/891607864.db2.gz RDELFRJPQCEHCE-VXNVDRBHSA-N 0 3 274.321 -2.676 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnnn1C ZINC001445149404 891607888 /nfs/dbraw/zinc/60/78/88/891607888.db2.gz DYCZEPSGMKHQPD-HTQZYQBOSA-N 0 3 284.320 -2.370 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2cocn2)C1=O ZINC001445149704 891607911 /nfs/dbraw/zinc/60/79/11/891607911.db2.gz GWEBHTWOCBTOKV-IUCAKERBSA-N 0 3 282.300 -1.414 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001445151413 891607924 /nfs/dbraw/zinc/60/79/24/891607924.db2.gz XDHICMGCGBUHKZ-LLVKDONJSA-N 0 3 296.327 -1.125 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cc[nH]c(=O)c1 ZINC001445162678 891609230 /nfs/dbraw/zinc/60/92/30/891609230.db2.gz ZDCNTAHCTURACX-NXEZZACHSA-N 0 3 294.311 -1.644 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001445161191 891609251 /nfs/dbraw/zinc/60/92/51/891609251.db2.gz PIUZQBGPIFKIQX-IUCAKERBSA-N 0 3 275.305 -2.786 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001445162711 891609305 /nfs/dbraw/zinc/60/93/05/891609305.db2.gz SITCSPXUHDYTNM-ZJUUUORDSA-N 0 3 288.348 -2.870 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cscn1 ZINC001445165837 891609330 /nfs/dbraw/zinc/60/93/30/891609330.db2.gz XPTDJQRRKUWYBV-MRVPVSSYSA-N 0 3 286.357 -1.088 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cocn1)N1CCCC1 ZINC001445160309 891609409 /nfs/dbraw/zinc/60/94/09/891609409.db2.gz QGEBOHQVQBWCJL-JTQLQIEISA-N 0 3 296.327 -1.023 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCCOC1)N1CCC1 ZINC001445162916 891609700 /nfs/dbraw/zinc/60/97/00/891609700.db2.gz SXQNMKMNEPDNRP-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C)n1cccn1 ZINC001445166984 891609851 /nfs/dbraw/zinc/60/98/51/891609851.db2.gz ZBSJEOIQXYYEOI-MNOVXSKESA-N 0 3 297.359 -1.401 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cocn1 ZINC001445163205 891610027 /nfs/dbraw/zinc/61/00/27/891610027.db2.gz UCPAXKPXOIYJQA-QMMMGPOBSA-N 0 3 270.289 -1.509 20 0 CAADHN CCn1ccnc1C(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC ZINC001445157775 891610168 /nfs/dbraw/zinc/61/01/68/891610168.db2.gz NZAMRLFZYZFZCF-VHSXEESVSA-N 0 3 297.359 -1.282 20 0 CAADHN Cc1cccnc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001445159079 891610188 /nfs/dbraw/zinc/61/01/88/891610188.db2.gz SLKGTDQQEYQSEM-WDEREUQCSA-N 0 3 292.339 -1.041 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cccc(=O)[nH]1 ZINC001445159192 891610299 /nfs/dbraw/zinc/61/02/99/891610299.db2.gz NQZYLIVZVLRWSG-DTWKUNHWSA-N 0 3 294.311 -1.644 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cc[nH]c(=O)c1 ZINC001445162858 891610372 /nfs/dbraw/zinc/61/03/72/891610372.db2.gz ZDCNTAHCTURACX-ZJUUUORDSA-N 0 3 294.311 -1.644 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001445166481 891610759 /nfs/dbraw/zinc/61/07/59/891610759.db2.gz YZXBAGUQEFDUPX-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1ccnn1C ZINC001445170935 891611276 /nfs/dbraw/zinc/61/12/76/891611276.db2.gz BKCIQBKTMLPSCI-NSHDSACASA-N 0 3 297.359 -1.835 20 0 CAADHN C[C@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C)n1cccn1 ZINC001445166982 891611336 /nfs/dbraw/zinc/61/13/36/891611336.db2.gz ZBSJEOIQXYYEOI-GHMZBOCLSA-N 0 3 297.359 -1.401 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001445162936 891611474 /nfs/dbraw/zinc/61/14/74/891611474.db2.gz SWCRXLMWJJXPEK-YUMQZZPRSA-N 0 3 282.300 -1.659 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCCOC1)N1CCC1 ZINC001445162904 891611499 /nfs/dbraw/zinc/61/14/99/891611499.db2.gz SXQNMKMNEPDNRP-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCCOC1)N1CCC1 ZINC001445162932 891611608 /nfs/dbraw/zinc/61/16/08/891611608.db2.gz SXQNMKMNEPDNRP-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001445162922 891611624 /nfs/dbraw/zinc/61/16/24/891611624.db2.gz SWCRXLMWJJXPEK-HTQZYQBOSA-N 0 3 282.300 -1.659 20 0 CAADHN Cc1cccnc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001445159069 891611650 /nfs/dbraw/zinc/61/16/50/891611650.db2.gz SLKGTDQQEYQSEM-MNOVXSKESA-N 0 3 292.339 -1.041 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cc2n(n1)CCO2)C(N)=O ZINC001445184574 891612445 /nfs/dbraw/zinc/61/24/45/891612445.db2.gz HITFJQBZJDISPW-YUMQZZPRSA-N 0 3 297.315 -2.170 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001445186074 891612636 /nfs/dbraw/zinc/61/26/36/891612636.db2.gz LTQLTTJRULKKKL-VIFPVBQESA-N 0 3 297.315 -2.049 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)Cn2ncnn2)C1=O ZINC001445187483 891612866 /nfs/dbraw/zinc/61/28/66/891612866.db2.gz RSQGVGMSYDPRRT-IUCAKERBSA-N 0 3 297.319 -3.030 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001445180373 891612904 /nfs/dbraw/zinc/61/29/04/891612904.db2.gz GSNOHFYSRQEEAD-ZJUUUORDSA-N 0 3 285.344 -1.753 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1(C(F)F)CC1)C(N)=O ZINC001445190539 891613353 /nfs/dbraw/zinc/61/33/53/891613353.db2.gz XGGGYIDAOYKOSG-RNFRBKRXSA-N 0 3 279.287 -1.028 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)Cn2ncnn2)C1=O ZINC001445187466 891613101 /nfs/dbraw/zinc/61/31/01/891613101.db2.gz RSQGVGMSYDPRRT-BDAKNGLRSA-N 0 3 297.319 -3.030 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)CC1=O ZINC001445190133 891613117 /nfs/dbraw/zinc/61/31/17/891613117.db2.gz FLJPILQUPRBSRF-YUMQZZPRSA-N 0 3 272.305 -2.983 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001445182776 891613133 /nfs/dbraw/zinc/61/31/33/891613133.db2.gz NIFPFWZRKGWTGV-SNVBAGLBSA-N 0 3 295.343 -1.323 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001445190285 891613149 /nfs/dbraw/zinc/61/31/49/891613149.db2.gz RNEBPPKIWYNLDZ-CBAPKCEASA-N 0 3 297.315 -2.003 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1(C(F)F)CC1)C(N)=O ZINC001445190535 891613338 /nfs/dbraw/zinc/61/33/38/891613338.db2.gz XGGGYIDAOYKOSG-NKWVEPMBSA-N 0 3 279.287 -1.028 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cc2n(n1)CCO2)C(N)=O ZINC001445184560 891613431 /nfs/dbraw/zinc/61/34/31/891613431.db2.gz HITFJQBZJDISPW-HTQZYQBOSA-N 0 3 297.315 -2.170 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)Cn2ncnn2)C1=O ZINC001445187474 891613498 /nfs/dbraw/zinc/61/34/98/891613498.db2.gz RSQGVGMSYDPRRT-DTWKUNHWSA-N 0 3 297.319 -3.030 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001445188492 891613588 /nfs/dbraw/zinc/61/35/88/891613588.db2.gz UKHBDUJVZKGRMN-UWVGGRQHSA-N 0 3 295.343 -1.703 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccns1 ZINC001445180243 891613628 /nfs/dbraw/zinc/61/36/28/891613628.db2.gz MRKYIRWKGIMLDA-QMMMGPOBSA-N 0 3 286.357 -1.041 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001445179121 891613642 /nfs/dbraw/zinc/61/36/42/891613642.db2.gz CCWKQKTXWSKABH-RKDXNWHRSA-N 0 3 295.299 -2.249 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H](O)CNCC(N)=O)CC1=O ZINC001445190111 891613765 /nfs/dbraw/zinc/61/37/65/891613765.db2.gz FLJPILQUPRBSRF-HTQZYQBOSA-N 0 3 272.305 -2.983 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1(C(F)F)CC1 ZINC001445185975 891613963 /nfs/dbraw/zinc/61/39/63/891613963.db2.gz QOQLBFGTXAFEGQ-SSDOTTSWSA-N 0 3 279.287 -1.156 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001445180372 891614049 /nfs/dbraw/zinc/61/40/49/891614049.db2.gz GSNOHFYSRQEEAD-VHSXEESVSA-N 0 3 285.344 -1.753 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)Cn1ncnn1)NC1CC1 ZINC001445184201 891614130 /nfs/dbraw/zinc/61/41/30/891614130.db2.gz PRQPKZFTOFERGP-VIFPVBQESA-N 0 3 297.319 -2.982 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001445190288 891614619 /nfs/dbraw/zinc/61/46/19/891614619.db2.gz RNEBPPKIWYNLDZ-IONNQARKSA-N 0 3 297.315 -2.003 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001445188489 891614662 /nfs/dbraw/zinc/61/46/62/891614662.db2.gz UKHBDUJVZKGRMN-NXEZZACHSA-N 0 3 295.343 -1.703 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](O)CNCc1cccnc1 ZINC001445184213 891614898 /nfs/dbraw/zinc/61/48/98/891614898.db2.gz PTFSCQQTBQPZML-NSHDSACASA-N 0 3 291.315 -1.665 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnco1)C(=O)N(C)C ZINC001445209712 891615870 /nfs/dbraw/zinc/61/58/70/891615870.db2.gz UILXNUYTXYZRDW-IUCAKERBSA-N 0 3 284.316 -1.168 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cncn1C ZINC001445210554 891615955 /nfs/dbraw/zinc/61/59/55/891615955.db2.gz UHTNOPIRLYLIEE-DTWKUNHWSA-N 0 3 283.332 -1.765 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C2CC2)on1 ZINC001445200471 891616246 /nfs/dbraw/zinc/61/62/46/891616246.db2.gz HRXIQUMGDZTUPU-SECBINFHSA-N 0 3 296.327 -1.022 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1(CCF)CC1 ZINC001445211134 891616383 /nfs/dbraw/zinc/61/63/83/891616383.db2.gz WSIMXAQJMRYQIA-VIFPVBQESA-N 0 3 275.324 -1.061 20 0 CAADHN O=C(CCc1c[nH]cn1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001445215586 891616416 /nfs/dbraw/zinc/61/64/16/891616416.db2.gz ZKDJTIRSNKYEBK-MNOVXSKESA-N 0 3 295.343 -1.703 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)c1cnco1)C1CC1 ZINC001445199844 891616487 /nfs/dbraw/zinc/61/64/87/891616487.db2.gz HASNAOVNVDDIKF-SNVBAGLBSA-N 0 3 296.327 -1.024 20 0 CAADHN COc1nc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)co1 ZINC001445198863 891616558 /nfs/dbraw/zinc/61/65/58/891616558.db2.gz FSTHPKKEKUWBGT-RNFRBKRXSA-N 0 3 286.288 -1.763 20 0 CAADHN Cn1ccnc1CCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001445200184 891616595 /nfs/dbraw/zinc/61/65/95/891616595.db2.gz IJKKXSODXQVNOT-VIFPVBQESA-N 0 3 283.332 -2.095 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001445201431 891616828 /nfs/dbraw/zinc/61/68/28/891616828.db2.gz WRHGZZZRTJADSF-SSDOTTSWSA-N 0 3 270.293 -2.536 20 0 CAADHN COCCC1(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001445211339 891616765 /nfs/dbraw/zinc/61/67/65/891616765.db2.gz UQETVXJJAUNHFG-WDEREUQCSA-N 0 3 299.371 -1.242 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ncc[nH]1)C(=O)NC1CC1 ZINC001445204577 891616848 /nfs/dbraw/zinc/61/68/48/891616848.db2.gz ZCIJGXQAIFUUMB-PSASIEDQSA-N 0 3 295.343 -1.243 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001445202130 891617088 /nfs/dbraw/zinc/61/70/88/891617088.db2.gz JHUUSWLPXMYKPZ-FNBULKLFSA-N 0 3 283.328 -2.038 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1ccon1)C(N)=O ZINC001445216380 891617208 /nfs/dbraw/zinc/61/72/08/891617208.db2.gz ULCXSPUWOUDEOH-SCZZXKLOSA-N 0 3 284.316 -1.452 20 0 CAADHN Cn1ccnc1CCC(=O)NC[C@H](O)CNCC(N)=O ZINC001445200176 891617303 /nfs/dbraw/zinc/61/73/03/891617303.db2.gz IJKKXSODXQVNOT-SECBINFHSA-N 0 3 283.332 -2.095 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1n[nH]c2c1CCCC2 ZINC001445192048 891617704 /nfs/dbraw/zinc/61/77/04/891617704.db2.gz CGDLTNNLXWPLLB-QMMMGPOBSA-N 0 3 295.343 -1.546 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ncc[nH]1)C(=O)NC1CC1 ZINC001445204578 891617859 /nfs/dbraw/zinc/61/78/59/891617859.db2.gz ZCIJGXQAIFUUMB-SCZZXKLOSA-N 0 3 295.343 -1.243 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001445214563 891617882 /nfs/dbraw/zinc/61/78/82/891617882.db2.gz RIJSPVFLYACKIT-GRYCIOLGSA-N 0 3 299.371 -1.399 20 0 CAADHN COc1nc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)co1 ZINC001445198640 891618199 /nfs/dbraw/zinc/61/81/99/891618199.db2.gz FQISCDQMCVLBBF-JGVFFNPUSA-N 0 3 298.299 -1.748 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cnccc1C ZINC001445202754 891618381 /nfs/dbraw/zinc/61/83/81/891618381.db2.gz VXLRGDAOQCASRZ-LBPRGKRZSA-N 0 3 294.355 -1.255 20 0 CAADHN CO[C@H](C(=O)NC[C@H](O)CNCC(N)=O)C1CCC1 ZINC001445212470 891618465 /nfs/dbraw/zinc/61/84/65/891618465.db2.gz XCDVMMDENTTXGN-KOLCDFICSA-N 0 3 273.333 -1.647 20 0 CAADHN CC[C@@H](F)C(=O)NC[C@@H](O)CNCC(=O)NC(=O)NC ZINC001445221890 891619677 /nfs/dbraw/zinc/61/96/77/891619677.db2.gz IRNDJWIZQSMMJR-JGVFFNPUSA-N 0 3 292.311 -1.743 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)n1 ZINC001445219832 891619702 /nfs/dbraw/zinc/61/97/02/891619702.db2.gz PMZDYAOTNBQWOJ-YUMQZZPRSA-N 0 3 297.319 -2.879 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1ccnnc1 ZINC001445243090 891620078 /nfs/dbraw/zinc/62/00/78/891620078.db2.gz KABCIZOHGCYNAS-NSHDSACASA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001445240948 891620128 /nfs/dbraw/zinc/62/01/28/891620128.db2.gz QNMRBMPAPGVKCF-ONGXEEELSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001445238878 891620189 /nfs/dbraw/zinc/62/01/89/891620189.db2.gz MCUQDZKDWFMPAQ-ONGXEEELSA-N 0 3 297.359 -1.599 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cccnc1)[C@H]1CNC(=O)N1 ZINC001445232964 891620289 /nfs/dbraw/zinc/62/02/89/891620289.db2.gz MZVGENSARBOFMT-WDEREUQCSA-N 0 3 293.327 -1.670 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cn1nc(C)cc1C ZINC001445220357 891620377 /nfs/dbraw/zinc/62/03/77/891620377.db2.gz WCUDFABZXILYPS-NSHDSACASA-N 0 3 297.359 -1.687 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1c[nH]cn1)C(N)=O ZINC001445240290 891620505 /nfs/dbraw/zinc/62/05/05/891620505.db2.gz AUCNMUAJUMTVST-UWVGGRQHSA-N 0 3 283.332 -1.717 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001445224666 891620922 /nfs/dbraw/zinc/62/09/22/891620922.db2.gz KATKVFXYIYPULJ-ONGXEEELSA-N 0 3 296.327 -1.058 20 0 CAADHN CC[C@H](F)C(=O)NC[C@@H](O)CNCC(=O)NC(=O)NC ZINC001445221893 891621017 /nfs/dbraw/zinc/62/10/17/891621017.db2.gz IRNDJWIZQSMMJR-YUMQZZPRSA-N 0 3 292.311 -1.743 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1cnoc1 ZINC001445224440 891621246 /nfs/dbraw/zinc/62/12/46/891621246.db2.gz DUKILXIRIMTMKO-SNVBAGLBSA-N 0 3 284.316 -1.628 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001445220722 891621379 /nfs/dbraw/zinc/62/13/79/891621379.db2.gz QIERKODXBFSWHD-RNFRBKRXSA-N 0 3 285.308 -2.975 20 0 CAADHN Cn1c(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)c[nH]c1=O ZINC001445231745 891621616 /nfs/dbraw/zinc/62/16/16/891621616.db2.gz YRRZKPJDQGMRHR-YUMQZZPRSA-N 0 3 297.315 -2.306 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001445238876 891621696 /nfs/dbraw/zinc/62/16/96/891621696.db2.gz MCUQDZKDWFMPAQ-KOLCDFICSA-N 0 3 297.359 -1.599 20 0 CAADHN Cn1c(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)c[nH]c1=O ZINC001445231741 891621715 /nfs/dbraw/zinc/62/17/15/891621715.db2.gz YRRZKPJDQGMRHR-JGVFFNPUSA-N 0 3 297.315 -2.306 20 0 CAADHN O=C(NC[C@H](O)CNCc1cccnc1)[C@@H]1CNC(=O)N1 ZINC001445232959 891621738 /nfs/dbraw/zinc/62/17/38/891621738.db2.gz MZVGENSARBOFMT-MNOVXSKESA-N 0 3 293.327 -1.670 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001445220800 891621851 /nfs/dbraw/zinc/62/18/51/891621851.db2.gz QVWZHRKLBZJBDD-BDAKNGLRSA-N 0 3 286.332 -2.580 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001445222068 891621926 /nfs/dbraw/zinc/62/19/26/891621926.db2.gz FBBQGYMWCKNDQR-MRVPVSSYSA-N 0 3 299.331 -2.058 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1nccs1 ZINC001445254557 891623407 /nfs/dbraw/zinc/62/34/07/891623407.db2.gz OAYQSEDSYPEDJE-QMMMGPOBSA-N 0 3 286.357 -1.088 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001445244409 891623427 /nfs/dbraw/zinc/62/34/27/891623427.db2.gz BZPGTZHYBGEAPY-SSDOTTSWSA-N 0 3 271.277 -2.162 20 0 CAADHN CCn1nc(C)cc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001445247961 891623559 /nfs/dbraw/zinc/62/35/59/891623559.db2.gz QAEOOEFUQPQSRO-SNVBAGLBSA-N 0 3 297.359 -1.362 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnon1)C(=O)NC1CC1 ZINC001445245897 891623685 /nfs/dbraw/zinc/62/36/85/891623685.db2.gz CTDQXNALUXLVGL-VXNVDRBHSA-N 0 3 297.315 -1.583 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)CCNC(N)=O)cn1 ZINC001445264028 891624126 /nfs/dbraw/zinc/62/41/26/891624126.db2.gz DODFPFGDPXULCJ-JTQLQIEISA-N 0 3 298.347 -1.955 20 0 CAADHN Cc1noc(CNC[C@H](O)CNC(=O)Cc2cnc[nH]2)n1 ZINC001445253351 891624197 /nfs/dbraw/zinc/62/41/97/891624197.db2.gz LTNQRZUWJILVAH-JTQLQIEISA-N 0 3 294.315 -1.089 20 0 CAADHN CC(C)c1ocnc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001445254318 891624438 /nfs/dbraw/zinc/62/44/38/891624438.db2.gz XYKMGIUJOXAJGO-MRVPVSSYSA-N 0 3 284.316 -1.036 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H](C)NC(C)=O ZINC001445298063 891629649 /nfs/dbraw/zinc/62/96/49/891629649.db2.gz HPXZVKRUBJNGLK-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001445274196 891624930 /nfs/dbraw/zinc/62/49/30/891624930.db2.gz AWWFRIHWQWYKCZ-RKDXNWHRSA-N 0 3 281.316 -1.713 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H](C)CNCC(=O)NC ZINC001445385167 891633904 /nfs/dbraw/zinc/63/39/04/891633904.db2.gz ZQHAVHKMOQTRSI-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN O=C(Cc1cnc[nH]1)NC[C@H](O)CNCc1cnon1 ZINC001445258406 891625282 /nfs/dbraw/zinc/62/52/82/891625282.db2.gz REHJADIJEHBBNO-SNVBAGLBSA-N 0 3 280.288 -1.398 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)Cc1c[nH]cn1)NC1CC1 ZINC001445255320 891625363 /nfs/dbraw/zinc/62/53/63/891625363.db2.gz OBIFDKAXTRNIGZ-NSHDSACASA-N 0 3 295.343 -1.703 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnon1)C(=O)NC1CC1 ZINC001445245891 891625478 /nfs/dbraw/zinc/62/54/78/891625478.db2.gz CTDQXNALUXLVGL-IONNQARKSA-N 0 3 297.315 -1.583 20 0 CAADHN O=C(Cc1cnc[nH]1)NC[C@@H](O)CNCc1cnon1 ZINC001445258401 891625526 /nfs/dbraw/zinc/62/55/26/891625526.db2.gz REHJADIJEHBBNO-JTQLQIEISA-N 0 3 280.288 -1.398 20 0 CAADHN C[C@@H](CC(=O)NC[C@@H](O)CNCC(N)=O)n1ccnc1 ZINC001445248037 891625575 /nfs/dbraw/zinc/62/55/75/891625575.db2.gz HNLIAHPCNQHFNQ-UWVGGRQHSA-N 0 3 283.332 -1.614 20 0 CAADHN CN(C)c1cccc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001445261059 891625627 /nfs/dbraw/zinc/62/56/27/891625627.db2.gz YDWQXWCVEKONOK-LBPRGKRZSA-N 0 3 294.355 -1.082 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1scnc1Cl ZINC001445271855 891625791 /nfs/dbraw/zinc/62/57/91/891625791.db2.gz IKHSLHRHHHQFJH-YFKPBYRVSA-N 0 3 292.748 -1.038 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1[nH]cnc1C)C(N)=O ZINC001445261310 891625846 /nfs/dbraw/zinc/62/58/46/891625846.db2.gz ZATMVUGLCWNNPS-VHSXEESVSA-N 0 3 297.359 -1.409 20 0 CAADHN CCc1ncncc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001445266343 891625918 /nfs/dbraw/zinc/62/59/18/891625918.db2.gz BTTYEAZKIOMJKV-SECBINFHSA-N 0 3 295.343 -1.535 20 0 CAADHN COc1cc(CNC[C@@H](O)CNC(=O)c2nnc[nH]2)on1 ZINC001445244128 891625986 /nfs/dbraw/zinc/62/59/86/891625986.db2.gz AUJCZWOYXNUAFF-SSDOTTSWSA-N 0 3 296.287 -1.318 20 0 CAADHN COc1cc(CNC[C@@H](O)CNC(=O)c2ncn[nH]2)on1 ZINC001445244128 891625996 /nfs/dbraw/zinc/62/59/96/891625996.db2.gz AUJCZWOYXNUAFF-SSDOTTSWSA-N 0 3 296.287 -1.318 20 0 CAADHN COc1cc(CNC[C@@H](O)CNC(=O)c2nc[nH]n2)on1 ZINC001445244128 891626016 /nfs/dbraw/zinc/62/60/16/891626016.db2.gz AUJCZWOYXNUAFF-SSDOTTSWSA-N 0 3 296.287 -1.318 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1[nH]cnc1C)C(N)=O ZINC001445261286 891626209 /nfs/dbraw/zinc/62/62/09/891626209.db2.gz ZATMVUGLCWNNPS-NXEZZACHSA-N 0 3 297.359 -1.409 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001445265775 891626240 /nfs/dbraw/zinc/62/62/40/891626240.db2.gz ZFTITUHJSUKAMX-VHSXEESVSA-N 0 3 281.316 -2.093 20 0 CAADHN CC(C)c1ocnc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001445254320 891626340 /nfs/dbraw/zinc/62/63/40/891626340.db2.gz XYKMGIUJOXAJGO-QMMMGPOBSA-N 0 3 284.316 -1.036 20 0 CAADHN Cc1nnsc1CNC[C@H](O)CNC(=O)c1nnc[nH]1 ZINC001445257542 891626423 /nfs/dbraw/zinc/62/64/23/891626423.db2.gz QYSLXYRKIMUSII-ZETCQYMHSA-N 0 3 297.344 -1.155 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnoc1C1CC1 ZINC001445244013 891626472 /nfs/dbraw/zinc/62/64/72/891626472.db2.gz FNCBZOBCQNJOIH-MRVPVSSYSA-N 0 3 282.300 -1.282 20 0 CAADHN C[C@H](CC(=O)NC[C@@H](O)CNCC(N)=O)n1ccnc1 ZINC001445248048 891626548 /nfs/dbraw/zinc/62/65/48/891626548.db2.gz HNLIAHPCNQHFNQ-ZJUUUORDSA-N 0 3 283.332 -1.614 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001445652514 891646409 /nfs/dbraw/zinc/64/64/09/891646409.db2.gz CIOSKGQOCWWGFS-SFYZADRCSA-N 0 3 279.362 -1.753 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)CCNC(N)=O ZINC001445330268 891627656 /nfs/dbraw/zinc/62/76/56/891627656.db2.gz LUFJIYMXPOHAQS-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CCC1(C(=O)NC[C@@H](O)CNCC(N)=O)CCOCC1 ZINC001445274435 891627719 /nfs/dbraw/zinc/62/77/19/891627719.db2.gz LNRPREVXAOYSTE-JTQLQIEISA-N 0 3 287.360 -1.255 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1COCCO1 ZINC001445299267 891627757 /nfs/dbraw/zinc/62/77/57/891627757.db2.gz CYZUILBFQKESAR-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CCc1c[nH]c(=O)c(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001445283006 891627778 /nfs/dbraw/zinc/62/77/78/891627778.db2.gz YZPCPSVEWCCPJT-VIFPVBQESA-N 0 3 296.327 -1.485 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cnn(C)c1 ZINC001445329569 891627804 /nfs/dbraw/zinc/62/78/04/891627804.db2.gz CDQMNHYWLLIQHF-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN Cc1ccc(CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001445275096 891627847 /nfs/dbraw/zinc/62/78/47/891627847.db2.gz RWXOVQMLAKVFEH-ZYHUDNBSSA-N 0 3 294.355 -1.127 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CNC(C)=O ZINC001445301328 891628217 /nfs/dbraw/zinc/62/82/17/891628217.db2.gz KQVZRMLRNIGDPJ-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1COCCO1 ZINC001445299273 891628357 /nfs/dbraw/zinc/62/83/57/891628357.db2.gz CYZUILBFQKESAR-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN O=C(Cn1ccnc1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001445276008 891628387 /nfs/dbraw/zinc/62/83/87/891628387.db2.gz DPZKNSDBTFPJOU-LLVKDONJSA-N 0 3 295.343 -1.818 20 0 CAADHN Cc1ccc(CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001445275094 891628442 /nfs/dbraw/zinc/62/84/42/891628442.db2.gz RWXOVQMLAKVFEH-PWSUYJOCSA-N 0 3 294.355 -1.127 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445314295 891628662 /nfs/dbraw/zinc/62/86/62/891628662.db2.gz VLLYOGUEFFBHGT-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1COCCO1 ZINC001445299279 891628462 /nfs/dbraw/zinc/62/84/62/891628462.db2.gz CYZUILBFQKESAR-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccc(=O)[nH]c1 ZINC001445274369 891628517 /nfs/dbraw/zinc/62/85/17/891628517.db2.gz FJINJEZJMBNCJY-VHSXEESVSA-N 0 3 294.311 -1.644 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CNCC(N)=O)CC(F)(F)C1 ZINC001445277778 891628625 /nfs/dbraw/zinc/62/86/25/891628625.db2.gz OUWUFPKMNADWOZ-ZETCQYMHSA-N 0 3 279.287 -1.026 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001445276287 891628638 /nfs/dbraw/zinc/62/86/38/891628638.db2.gz FCEWXXCTIWIMNG-DTWKUNHWSA-N 0 3 298.347 -1.839 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H](C)NC(N)=O ZINC001445316830 891628696 /nfs/dbraw/zinc/62/86/96/891628696.db2.gz TUXTUCFGHQZXBN-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)c1cnn(C)c1 ZINC001445315457 891628835 /nfs/dbraw/zinc/62/88/35/891628835.db2.gz WKWHXDIOKMVUJM-ONGXEEELSA-N 0 3 297.359 -1.664 20 0 CAADHN NC(=O)NCCC(=O)NC[C@H](O)CNCc1ccccn1 ZINC001445278278 891628900 /nfs/dbraw/zinc/62/89/00/891628900.db2.gz ZINIFPGISFZZHH-LLVKDONJSA-N 0 3 295.343 -1.293 20 0 CAADHN O=C(Cn1cncn1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001445277390 891629102 /nfs/dbraw/zinc/62/91/02/891629102.db2.gz WGLKVZCZBKPNCW-SNVBAGLBSA-N 0 3 296.331 -2.423 20 0 CAADHN COc1c(C(=O)NC[C@H](O)CNCC(N)=O)cnn1C ZINC001445283296 891628945 /nfs/dbraw/zinc/62/89/45/891628945.db2.gz SWLXEWIZLNAHGS-SSDOTTSWSA-N 0 3 285.304 -2.406 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001445306889 891629052 /nfs/dbraw/zinc/62/90/52/891629052.db2.gz HKFMOXGJYONUGH-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN Cc1ccc(CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001445275093 891629063 /nfs/dbraw/zinc/62/90/63/891629063.db2.gz RWXOVQMLAKVFEH-JQWIXIFHSA-N 0 3 294.355 -1.127 20 0 CAADHN CCc1ncncc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001445277939 891629144 /nfs/dbraw/zinc/62/91/44/891629144.db2.gz PZEVTYFCHYYXHE-DTWKUNHWSA-N 0 3 295.343 -1.407 20 0 CAADHN CCc1ncncc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001445277936 891629228 /nfs/dbraw/zinc/62/92/28/891629228.db2.gz PZEVTYFCHYYXHE-BDAKNGLRSA-N 0 3 295.343 -1.407 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001445331678 891629239 /nfs/dbraw/zinc/62/92/39/891629239.db2.gz UGCDZYXWHXWNNV-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001445276208 891629266 /nfs/dbraw/zinc/62/92/66/891629266.db2.gz FCEWXXCTIWIMNG-BDAKNGLRSA-N 0 3 298.347 -1.839 20 0 CAADHN CCC1(C(=O)NC[C@H](O)CNCC(N)=O)CCOCC1 ZINC001445274436 891629370 /nfs/dbraw/zinc/62/93/70/891629370.db2.gz LNRPREVXAOYSTE-SNVBAGLBSA-N 0 3 287.360 -1.255 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)Cc2ncc[nH]2)cn1 ZINC001445277041 891629460 /nfs/dbraw/zinc/62/94/60/891629460.db2.gz PFSQAAHWJJHVKS-NSHDSACASA-N 0 3 292.343 -1.047 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001445305902 891629492 /nfs/dbraw/zinc/62/94/92/891629492.db2.gz LAQDDTBMEXIFON-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CC1(C(=O)NC[C@H](O)CNCC(N)=O)CC(F)(F)C1 ZINC001445277776 891629787 /nfs/dbraw/zinc/62/97/87/891629787.db2.gz OUWUFPKMNADWOZ-SSDOTTSWSA-N 0 3 279.287 -1.026 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cnc2n[nH]nc2c1 ZINC001445390264 891631107 /nfs/dbraw/zinc/63/11/07/891631107.db2.gz PRQXDVYRJHIILS-RQJHMYQMSA-N 0 3 291.315 -1.065 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001445356492 891631292 /nfs/dbraw/zinc/63/12/92/891631292.db2.gz OGXKHNHKGSPJTE-HRDYMLBCSA-N 0 3 270.333 -1.377 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001445355460 891632024 /nfs/dbraw/zinc/63/20/24/891632024.db2.gz QDRQDKGAQCWLIV-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001445348227 891632312 /nfs/dbraw/zinc/63/23/12/891632312.db2.gz DNYJMSNQPGSVFK-SFYZADRCSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnns1 ZINC001445351002 891632517 /nfs/dbraw/zinc/63/25/17/891632517.db2.gz QVDLPRIFTLJAEU-ZCFIWIBFSA-N 0 3 297.344 -1.132 20 0 CAADHN Cc1cc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)n(C)n1 ZINC001445355828 891632549 /nfs/dbraw/zinc/63/25/49/891632549.db2.gz SJZLNRYHUWEGSR-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001445385771 891632640 /nfs/dbraw/zinc/63/26/40/891632640.db2.gz LWRBWRUHAPNPKF-SFYZADRCSA-N 0 3 281.316 -1.638 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CNC(=O)NC)C(N)=O ZINC001445382393 891632728 /nfs/dbraw/zinc/63/27/28/891632728.db2.gz ZQSMZDVHBBBRGF-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CNS(=O)(=O)NC ZINC001445407290 891633428 /nfs/dbraw/zinc/63/34/28/891633428.db2.gz BXKHHFWWZOSHJH-SSDOTTSWSA-N 0 3 295.365 -3.120 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CNC(=O)NC)C(N)=O ZINC001445382373 891633827 /nfs/dbraw/zinc/63/38/27/891633827.db2.gz ZQSMZDVHBBBRGF-HTQZYQBOSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CCn1ccnn1 ZINC001445363401 891633856 /nfs/dbraw/zinc/63/38/56/891633856.db2.gz TYSMFEUEOMRQIV-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1COCCO1 ZINC001445342415 891634055 /nfs/dbraw/zinc/63/40/55/891634055.db2.gz DLYSEKWLZWKHOT-RKDXNWHRSA-N 0 3 299.331 -1.882 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)C[C@H](C)NC(N)=O ZINC001445358601 891634105 /nfs/dbraw/zinc/63/41/05/891634105.db2.gz CARXIZYSEYLBNW-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)Cc1cncs1 ZINC001445404988 891634113 /nfs/dbraw/zinc/63/41/13/891634113.db2.gz YRFFUOLJKVHCDI-SSDOTTSWSA-N 0 3 299.356 -1.025 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1csnn1 ZINC001445406970 891634162 /nfs/dbraw/zinc/63/41/62/891634162.db2.gz ANUNLLJEUNIZDK-RXMQYKEDSA-N 0 3 286.317 -1.559 20 0 CAADHN CCNC(=O)CCC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001445357307 891634321 /nfs/dbraw/zinc/63/43/21/891634321.db2.gz RGJYHWLMRIJBIU-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001445348224 891634338 /nfs/dbraw/zinc/63/43/38/891634338.db2.gz DNYJMSNQPGSVFK-HTQZYQBOSA-N 0 3 296.331 -1.038 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001445433012 891635766 /nfs/dbraw/zinc/63/57/66/891635766.db2.gz AOCOWRUEUFDODQ-BDAKNGLRSA-N 0 3 285.348 -1.713 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1cnn(C)n1 ZINC001445444444 891635850 /nfs/dbraw/zinc/63/58/50/891635850.db2.gz DNPWEVNRQWMNDC-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001445437242 891635984 /nfs/dbraw/zinc/63/59/84/891635984.db2.gz KSJUQYDNYRHKKQ-RKDXNWHRSA-N 0 3 293.327 -1.244 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001445435463 891636680 /nfs/dbraw/zinc/63/66/80/891636680.db2.gz HCZZTSNSPWRYFI-NXEZZACHSA-N 0 3 299.375 -1.466 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001445482756 891636883 /nfs/dbraw/zinc/63/68/83/891636883.db2.gz TUJBYJPRCNZUQM-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CNC(=O)c1ccccc1 ZINC001445474438 891637385 /nfs/dbraw/zinc/63/73/85/891637385.db2.gz QIJJZLYEALWXDG-SNVBAGLBSA-N 0 3 292.339 -1.004 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001445430908 891637446 /nfs/dbraw/zinc/63/74/46/891637446.db2.gz AZEDMRXOGNGYMB-SECBINFHSA-N 0 3 282.348 -1.412 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C1CCS(=O)(=O)CC1 ZINC001445442686 891637608 /nfs/dbraw/zinc/63/76/08/891637608.db2.gz BRDAQNJCZHZHMA-MRVPVSSYSA-N 0 3 291.373 -1.609 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001445428561 891637663 /nfs/dbraw/zinc/63/76/63/891637663.db2.gz XPYSTADCPSVICP-BFVZDQMLSA-N 0 3 296.371 -1.020 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001445438209 891637683 /nfs/dbraw/zinc/63/76/83/891637683.db2.gz PKWBAIQVOUIQNS-SECBINFHSA-N 0 3 295.343 -1.044 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001445496894 891638727 /nfs/dbraw/zinc/63/87/27/891638727.db2.gz LZIXXKHRKVFSDF-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCCS1(=O)=O ZINC001445493364 891639064 /nfs/dbraw/zinc/63/90/64/891639064.db2.gz CCKWUTNYPJJAAF-HTQZYQBOSA-N 0 3 277.346 -1.857 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001445500243 891639237 /nfs/dbraw/zinc/63/92/37/891639237.db2.gz IMYZADKOVBQAGN-RNFRBKRXSA-N 0 3 297.315 -1.932 20 0 CAADHN CCNC(=O)CCC(=O)N[C@@H](C)CNCC(=O)NC ZINC001445530367 891639439 /nfs/dbraw/zinc/63/94/39/891639439.db2.gz MOLCZUWCHNYODK-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cc(C(N)=O)ccn1 ZINC001445497789 891639672 /nfs/dbraw/zinc/63/96/72/891639672.db2.gz MNIJAXUHOKCOKV-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN CO[C@H](C)C(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001445519626 891639795 /nfs/dbraw/zinc/63/97/95/891639795.db2.gz UJCULGWSPVOIQP-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCc1cn(C)nn1 ZINC001445496645 891640269 /nfs/dbraw/zinc/64/02/69/891640269.db2.gz IUWCCMJWTZKNJV-ZJUUUORDSA-N 0 3 296.375 -1.024 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001445517995 891640352 /nfs/dbraw/zinc/64/03/52/891640352.db2.gz PUVJAOZHZSWUQX-QMMMGPOBSA-N 0 3 270.333 -1.647 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1nonc1C ZINC001445497774 891640388 /nfs/dbraw/zinc/64/03/88/891640388.db2.gz JFXWNMBQTHPKTD-ZCFIWIBFSA-N 0 3 298.303 -1.458 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)CN[C@H](C)C(=O)NC ZINC001445501853 891640398 /nfs/dbraw/zinc/64/03/98/891640398.db2.gz KZMACLPLKSFFAH-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001445496509 891640454 /nfs/dbraw/zinc/64/04/54/891640454.db2.gz HPSHKLYAFPYEDX-BBBLOLIVSA-N 0 3 299.375 -1.112 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001445502085 891640797 /nfs/dbraw/zinc/64/07/97/891640797.db2.gz XRXLEESJLDMKAH-MRVPVSSYSA-N 0 3 281.316 -1.766 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1noc2c1COCC2 ZINC001445493083 891640853 /nfs/dbraw/zinc/64/08/53/891640853.db2.gz ACNWRODXXPLIQN-SSDOTTSWSA-N 0 3 282.300 -1.060 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001445606763 891642262 /nfs/dbraw/zinc/64/22/62/891642262.db2.gz SCUMYEOWPSNQQB-YIZRAAEISA-N 0 3 270.333 -1.710 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001445567934 891642006 /nfs/dbraw/zinc/64/20/06/891642006.db2.gz PLFXVWZMCYJHJY-IUCAKERBSA-N 0 3 293.389 -1.350 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001445588485 891642373 /nfs/dbraw/zinc/64/23/73/891642373.db2.gz ISPUECZVRFZHON-AEJSXWLSSA-N 0 3 284.360 -1.035 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001445588488 891642630 /nfs/dbraw/zinc/64/26/30/891642630.db2.gz ISPUECZVRFZHON-GUBZILKMSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cnc2n[nH]nc2c1 ZINC001445573105 891642670 /nfs/dbraw/zinc/64/26/70/891642670.db2.gz PRQXDVYRJHIILS-BQBZGAKWSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnnn1C ZINC001445556117 891642702 /nfs/dbraw/zinc/64/27/02/891642702.db2.gz QLAFBQBRWGDGFS-ZETCQYMHSA-N 0 3 294.319 -1.855 20 0 CAADHN C[C@@H](CNCc1nnn(C)n1)NC(=O)c1[nH]ncc1F ZINC001445606200 891642744 /nfs/dbraw/zinc/64/27/44/891642744.db2.gz KTKSUHCPIZCTDL-LURJTMIESA-N 0 3 282.283 -1.020 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cnn2c1OCCC2 ZINC001445582161 891642753 /nfs/dbraw/zinc/64/27/53/891642753.db2.gz JQSMMKGWBZCHAX-QMMMGPOBSA-N 0 3 281.316 -1.141 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001445592799 891642792 /nfs/dbraw/zinc/64/27/92/891642792.db2.gz IQVZOKOXKQDTPF-ZANVPECISA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1nccnc1N ZINC001445532314 891642957 /nfs/dbraw/zinc/64/29/57/891642957.db2.gz JBKUKNWSDWZTOU-DTWKUNHWSA-N 0 3 292.343 -1.003 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cc(=O)n(C)cn1 ZINC001445571701 891642963 /nfs/dbraw/zinc/64/29/63/891642963.db2.gz LWRBWRUHAPNPKF-YUMQZZPRSA-N 0 3 281.316 -1.638 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001445602002 891642973 /nfs/dbraw/zinc/64/29/73/891642973.db2.gz JHDQEPHMCKYYNF-XHNCKOQMSA-N 0 3 286.332 -2.140 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001445554162 891642993 /nfs/dbraw/zinc/64/29/93/891642993.db2.gz WPOZNSUMPOEGDS-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CNC(=O)N1CCCC1)C(N)=O ZINC001445545045 891643012 /nfs/dbraw/zinc/64/30/12/891643012.db2.gz GNJNACLLZALURJ-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cnc2n[nH]nc2c1)C(N)=O ZINC001445573107 891643042 /nfs/dbraw/zinc/64/30/42/891643042.db2.gz PRQXDVYRJHIILS-NKWVEPMBSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC001445593737 891643056 /nfs/dbraw/zinc/64/30/56/891643056.db2.gz RUFCUUNMIUNUEO-IUCAKERBSA-N 0 3 291.373 -1.467 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC ZINC001445550884 891643071 /nfs/dbraw/zinc/64/30/71/891643071.db2.gz MKEDCVVDTNZWTK-DTWKUNHWSA-N 0 3 287.364 -1.466 20 0 CAADHN CC(C)[C@@H](O)C(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001445549993 891643095 /nfs/dbraw/zinc/64/30/95/891643095.db2.gz KJEHRTUAUWFMAD-DJLDLDEBSA-N 0 3 288.348 -1.319 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)c1nnn(C)n1 ZINC001445590559 891643166 /nfs/dbraw/zinc/64/31/66/891643166.db2.gz NWDRISIGIDQSMH-JGVFFNPUSA-N 0 3 281.320 -1.803 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)CN1CCOCC1 ZINC001445551841 891643304 /nfs/dbraw/zinc/64/33/04/891643304.db2.gz NMCOOWFSEQCJAZ-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CCN1CC[C@@H](NC[C@H](C)NC(=O)Cn2ncnn2)C1=O ZINC001445549924 891643626 /nfs/dbraw/zinc/64/36/26/891643626.db2.gz WYUPRXRTMYACER-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001445573895 891643330 /nfs/dbraw/zinc/64/33/30/891643330.db2.gz ZXWIGCGYIGZEDH-QMMMGPOBSA-N 0 3 284.320 -2.578 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001445570476 891643363 /nfs/dbraw/zinc/64/33/63/891643363.db2.gz KUCVWVSZUOWKER-UWVGGRQHSA-N 0 3 299.375 -2.272 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CCn1ccnn1 ZINC001445542683 891643703 /nfs/dbraw/zinc/64/37/03/891643703.db2.gz DPJHJFFLMJDKIE-UWVGGRQHSA-N 0 3 282.348 -1.103 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccc(=O)n(C)c1 ZINC001445580483 891643783 /nfs/dbraw/zinc/64/37/83/891643783.db2.gz JBHWDSIBEZHISR-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)Cc1cnoc1 ZINC001445592467 891643933 /nfs/dbraw/zinc/64/39/33/891643933.db2.gz CJZXFWZQNAZCSY-ZETCQYMHSA-N 0 3 283.288 -1.494 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)c1nnn(C)n1 ZINC001445590561 891643972 /nfs/dbraw/zinc/64/39/72/891643972.db2.gz NWDRISIGIDQSMH-YUMQZZPRSA-N 0 3 281.320 -1.803 20 0 CAADHN CCN1CC[C@@H](NC[C@H](C)NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001445532389 891644336 /nfs/dbraw/zinc/64/43/36/891644336.db2.gz PRRWJZDVTPVLKY-HBNTYKKESA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC ZINC001445558552 891644347 /nfs/dbraw/zinc/64/43/47/891644347.db2.gz GAAFEPCKEKTTJM-YUMQZZPRSA-N 0 3 273.337 -1.856 20 0 CAADHN CCN1CC[C@H](NC[C@H](C)NC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001445532388 891644392 /nfs/dbraw/zinc/64/43/92/891644392.db2.gz PRRWJZDVTPVLKY-AXFHLTTASA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)Cc1cnoc1 ZINC001445593157 891644519 /nfs/dbraw/zinc/64/45/19/891644519.db2.gz GVKYVCIVDZRIGU-YUMQZZPRSA-N 0 3 297.315 -1.105 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001445614619 891646583 /nfs/dbraw/zinc/64/65/83/891646583.db2.gz RIHJDVFYLGNDGP-YUMQZZPRSA-N 0 3 294.377 -2.236 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001445615039 891646889 /nfs/dbraw/zinc/64/68/89/891646889.db2.gz JZCLQPXZDZVFEQ-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001445611540 891647482 /nfs/dbraw/zinc/64/74/82/891647482.db2.gz XPYSTADCPSVICP-RBZYPMLTSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001445614522 891647796 /nfs/dbraw/zinc/64/77/96/891647796.db2.gz RIHJDVFYLGNDGP-JGVFFNPUSA-N 0 3 294.377 -2.236 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ccnnc1 ZINC001445610613 891647815 /nfs/dbraw/zinc/64/78/15/891647815.db2.gz JOSGRBOCKLTDAB-QMMMGPOBSA-N 0 3 291.315 -1.194 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@@H]1O ZINC001445628195 891647849 /nfs/dbraw/zinc/64/78/49/891647849.db2.gz LQLFWWOCISQJAV-TUAOUCFPSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001445669025 891648676 /nfs/dbraw/zinc/64/86/76/891648676.db2.gz RAJUYFRFIZMMDN-CIUDSAMLSA-N 0 3 285.348 -1.502 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1nccnc1C(N)=O ZINC001445661836 891650465 /nfs/dbraw/zinc/65/04/65/891650465.db2.gz SURKPVJZSGMTCM-ZETCQYMHSA-N 0 3 294.315 -1.971 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@@H](C)CN(C)CCO)C(N)=O ZINC001445811318 891652847 /nfs/dbraw/zinc/65/28/47/891652847.db2.gz KMWBUVPUKZYFPQ-WPRPVWTQSA-N 0 3 288.348 -2.205 20 0 CAADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1nnc(N)n1 ZINC001445780701 891653558 /nfs/dbraw/zinc/65/35/58/891653558.db2.gz GGHROSRXDDLNTN-CBAPKCEASA-N 0 3 265.321 -1.146 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)Cn1ncnn1 ZINC001445760422 891654046 /nfs/dbraw/zinc/65/40/46/891654046.db2.gz WQOLMPKZUKDYKQ-SNVBAGLBSA-N 0 3 293.335 -1.599 20 0 CAADHN Cn1nncc1C(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001445929406 891655656 /nfs/dbraw/zinc/65/56/56/891655656.db2.gz CDUSEGMYVDPFEZ-ZJUUUORDSA-N 0 3 292.343 -1.198 20 0 CAADHN Cn1nncc1C(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001445929404 891655967 /nfs/dbraw/zinc/65/59/67/891655967.db2.gz CDUSEGMYVDPFEZ-VHSXEESVSA-N 0 3 292.343 -1.198 20 0 CAADHN CCC(=O)N[C@H](CNCC(=O)N1CCNC(=O)C1)C1CC1 ZINC001445915856 891656016 /nfs/dbraw/zinc/65/60/16/891656016.db2.gz PRUVGXSHEBYHEN-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001445932422 891656102 /nfs/dbraw/zinc/65/61/02/891656102.db2.gz IGERIQKFSXOAAN-RKDXNWHRSA-N 0 3 284.316 -1.675 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001445927972 891656178 /nfs/dbraw/zinc/65/61/78/891656178.db2.gz GIWISTFLMZCGQY-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN Cc1c(C(=O)N[C@@H](CNCC(N)=O)C2CC2)nnn1C ZINC001445934679 891656426 /nfs/dbraw/zinc/65/64/26/891656426.db2.gz ITUKXMNFLQTPQF-VIFPVBQESA-N 0 3 280.332 -1.293 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001445927983 891656464 /nfs/dbraw/zinc/65/64/64/891656464.db2.gz GIWISTFLMZCGQY-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN Cn1nncc1C(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001445929402 891656501 /nfs/dbraw/zinc/65/65/01/891656501.db2.gz CDUSEGMYVDPFEZ-NXEZZACHSA-N 0 3 292.343 -1.198 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001445939886 891656556 /nfs/dbraw/zinc/65/65/56/891656556.db2.gz YZXOPBFPDRMKRI-ZJUUUORDSA-N 0 3 298.343 -1.285 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001445932421 891656897 /nfs/dbraw/zinc/65/68/97/891656897.db2.gz IGERIQKFSXOAAN-IUCAKERBSA-N 0 3 284.316 -1.675 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H]1CCN1C[C@@H]1CCOC1 ZINC001446032048 891658166 /nfs/dbraw/zinc/65/81/66/891658166.db2.gz SUVDFQMERLXTAU-WDEREUQCSA-N 0 3 280.332 -1.100 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)CCNC(N)=O)C1CC1)C(N)=O ZINC001445997742 891658508 /nfs/dbraw/zinc/65/85/08/891658508.db2.gz FVMBORZVJHRFPA-IONNQARKSA-N 0 3 285.348 -1.597 20 0 CAADHN CCCN1CC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001446022710 891658745 /nfs/dbraw/zinc/65/87/45/891658745.db2.gz AHYYBSUEBSFWHV-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001445953384 891659203 /nfs/dbraw/zinc/65/92/03/891659203.db2.gz MCGFKPFWVYOZIB-GHMZBOCLSA-N 0 3 296.371 -1.115 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001445994274 891659608 /nfs/dbraw/zinc/65/96/08/891659608.db2.gz SKOZRYKJFISFRY-QWRGUYRKSA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CN1CCNC(=O)C1)C1CC1 ZINC001445958679 891659709 /nfs/dbraw/zinc/65/97/09/891659709.db2.gz KSEXWNFWLUYMIQ-SNVBAGLBSA-N 0 3 297.359 -2.612 20 0 CAADHN CCN1CCO[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001445992278 891659923 /nfs/dbraw/zinc/65/99/23/891659923.db2.gz ZICZTLNVFGIEIQ-RYUDHWBXSA-N 0 3 298.387 -1.323 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H]1CNC(=O)CCc1nnc[nH]1 ZINC001446043474 891664150 /nfs/dbraw/zinc/66/41/50/891664150.db2.gz RXIHZZBQMMNANB-MNOVXSKESA-N 0 3 297.359 -1.065 20 0 CAADHN CN1CCO[C@H](C(=O)NCC2(NCC(N)=O)CC2)C1 ZINC001446155957 891666496 /nfs/dbraw/zinc/66/64/96/891666496.db2.gz WXSXMCOSYCJVGX-VIFPVBQESA-N 0 3 270.333 -1.959 20 0 CAADHN CNC(=O)CNC1(CNC(=O)Cc2nnc(C)[nH]2)CC1 ZINC001446170496 891666796 /nfs/dbraw/zinc/66/67/96/891666796.db2.gz NQDKYHINSDIYQB-UHFFFAOYSA-N 0 3 280.332 -1.360 20 0 CAADHN O=C(Cn1cncn1)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001446270346 891668921 /nfs/dbraw/zinc/66/89/21/891668921.db2.gz VOUXEYIUMIEVMF-SNVBAGLBSA-N 0 3 292.343 -1.205 20 0 CAADHN NC(=O)NCCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001446275008 891669496 /nfs/dbraw/zinc/66/94/96/891669496.db2.gz USTDEXJSLJQVAL-SECBINFHSA-N 0 3 297.359 -1.438 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)c1cnnn1C)C(N)=O ZINC001446424410 891674526 /nfs/dbraw/zinc/67/45/26/891674526.db2.gz FIHRKBXYMILZCZ-IUCAKERBSA-N 0 3 280.332 -1.117 20 0 CAADHN COC[C@H](O)CN1CC(N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001446401657 891675770 /nfs/dbraw/zinc/67/57/70/891675770.db2.gz XDPPYCJPZQKHFG-SNVBAGLBSA-N 0 3 283.332 -1.503 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)c1ccc(=O)[nH]n1 ZINC001446431054 891675928 /nfs/dbraw/zinc/67/59/28/891675928.db2.gz SEWNCOQGNMZWST-QMMMGPOBSA-N 0 3 279.300 -1.138 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@]1(C)CCN(C[C@H](C)O)C1 ZINC001446554037 891677978 /nfs/dbraw/zinc/67/79/78/891677978.db2.gz DGFRJCRKXVNVQS-GXSJLCMTSA-N 0 3 293.389 -1.503 20 0 CAADHN CCn1ncc(C(=O)N2CCC[C@H]2CNCC(N)=O)n1 ZINC001446442574 891678436 /nfs/dbraw/zinc/67/84/36/891678436.db2.gz NVTGGCLROKFUMU-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001446454131 891678503 /nfs/dbraw/zinc/67/85/03/891678503.db2.gz GKDBJESDYGVTJY-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2(O)COC2)CC1 ZINC001446551751 891678747 /nfs/dbraw/zinc/67/87/47/891678747.db2.gz DVFGEFQCHOKRMA-NSHDSACASA-N 0 3 297.355 -1.487 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001446453120 891679121 /nfs/dbraw/zinc/67/91/21/891679121.db2.gz GKDBJESDYGVTJY-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)Cn1cncn1 ZINC001446453046 891679326 /nfs/dbraw/zinc/67/93/26/891679326.db2.gz FVOVTDIKCPZIAX-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C2(O)COC2)CC1 ZINC001446551746 891679351 /nfs/dbraw/zinc/67/93/51/891679351.db2.gz DVFGEFQCHOKRMA-LLVKDONJSA-N 0 3 297.355 -1.487 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001446438832 891679679 /nfs/dbraw/zinc/67/96/79/891679679.db2.gz WYQHBOWSNPHUCT-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001446435998 891679890 /nfs/dbraw/zinc/67/98/90/891679890.db2.gz KCYALTHGOCPRCL-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN NC(=O)NC(=O)CNC1(CNC(=O)C2CC2)CCOCC1 ZINC001446693477 891683040 /nfs/dbraw/zinc/68/30/40/891683040.db2.gz IBSQHQYUXXQCGO-UHFFFAOYSA-N 0 3 298.343 -1.154 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001446762526 891685211 /nfs/dbraw/zinc/68/52/11/891685211.db2.gz DMDAWIJMYCPZKO-ZDUSSCGKSA-N 0 3 282.344 -1.113 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001446764256 891686845 /nfs/dbraw/zinc/68/68/45/891686845.db2.gz SWYIZJNZCADALD-MFKMUULPSA-N 0 3 285.344 -1.942 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cn2c(n1)CCC2 ZINC001446762662 891687160 /nfs/dbraw/zinc/68/71/60/891687160.db2.gz MEJXSGDLXAFZIX-AWEZNQCLSA-N 0 3 294.355 -1.012 20 0 CAADHN COCC[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001446754321 891687308 /nfs/dbraw/zinc/68/73/08/891687308.db2.gz JEYIVSAMQODOTL-CYBMUJFWSA-N 0 3 296.327 -1.005 20 0 CAADHN COCC[N@H+]1CC[C@@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001446754321 891687310 /nfs/dbraw/zinc/68/73/10/891687310.db2.gz JEYIVSAMQODOTL-CYBMUJFWSA-N 0 3 296.327 -1.005 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)C1=COCCO1 ZINC001446738888 891687528 /nfs/dbraw/zinc/68/75/28/891687528.db2.gz NXKMAVJVBYWUDX-GFCCVEGCSA-N 0 3 272.301 -1.580 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001446749212 891687719 /nfs/dbraw/zinc/68/77/19/891687719.db2.gz BOIJHYSXEIKHLL-ZDUSSCGKSA-N 0 3 282.344 -1.113 20 0 CAADHN Cn1ccnc1CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001446758870 891687806 /nfs/dbraw/zinc/68/78/06/891687806.db2.gz PLZMSNJJEDSORP-AWEZNQCLSA-N 0 3 296.371 -1.102 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001446784540 891689844 /nfs/dbraw/zinc/68/98/44/891689844.db2.gz CRPRVOYPDXNVTK-DGCLKSJQSA-N 0 3 290.360 -1.153 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001446777356 891690399 /nfs/dbraw/zinc/69/03/99/891690399.db2.gz NXCKAJONGDDMCY-ZWNOBZJWSA-N 0 3 287.360 -1.303 20 0 CAADHN O=C(Cn1ccccc1=O)NC[C@]1(O)CCN(CCO)C1 ZINC001446799643 891690711 /nfs/dbraw/zinc/69/07/11/891690711.db2.gz CTWROCOFJXCSDR-CQSZACIVSA-N 0 3 295.339 -1.606 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@@H](COC)OC)C1 ZINC001446784547 891690984 /nfs/dbraw/zinc/69/09/84/891690984.db2.gz CRPRVOYPDXNVTK-YPMHNXCESA-N 0 3 290.360 -1.153 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(O)CN(C[C@@H](C)O)C1 ZINC001446915290 891704536 /nfs/dbraw/zinc/70/45/36/891704536.db2.gz DAVNPPKKKQCTBF-LLVKDONJSA-N 0 3 273.377 -1.130 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(O)CN(C[C@H](C)O)C1 ZINC001446915291 891704711 /nfs/dbraw/zinc/70/47/11/891704711.db2.gz DAVNPPKKKQCTBF-NSHDSACASA-N 0 3 273.377 -1.130 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1ccon1 ZINC001447047597 891709302 /nfs/dbraw/zinc/70/93/02/891709302.db2.gz DLHMSTQOYGWZPH-SECBINFHSA-N 0 3 284.316 -1.167 20 0 CAADHN Cc1[nH]nc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)c1C ZINC001447051041 891710009 /nfs/dbraw/zinc/71/00/09/891710009.db2.gz JMKKJYGXCLJGKD-SNVBAGLBSA-N 0 3 297.359 -1.076 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)Cc1ncc[nH]1 ZINC001447050144 891711475 /nfs/dbraw/zinc/71/14/75/891711475.db2.gz FHVSYTWWVHIJAK-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN CO[C@H](C)C(=O)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001447058969 891712415 /nfs/dbraw/zinc/71/24/15/891712415.db2.gz VMBNGJDNIJWJRB-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1nnn(C)n1)C(N)=O ZINC001447068851 891712510 /nfs/dbraw/zinc/71/25/10/891712510.db2.gz YCRWYDLJVPXLAV-SSDOTTSWSA-N 0 3 285.308 -2.892 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)Cn1cccn1 ZINC001447059536 891712742 /nfs/dbraw/zinc/71/27/42/891712742.db2.gz WDCHOJKUHTVVDA-NSHDSACASA-N 0 3 297.359 -1.572 20 0 CAADHN Cc1nc[nH]c1CC(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001447061929 891712993 /nfs/dbraw/zinc/71/29/93/891712993.db2.gz WOHIFGFNSJNVLR-SNVBAGLBSA-N 0 3 297.359 -1.455 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)Cc1cc[nH]n1 ZINC001447053672 891713295 /nfs/dbraw/zinc/71/32/95/891713295.db2.gz MWHDWPKTCBRTGR-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H]1C[C@H]1C(N)=O)C(N)=O ZINC001447067658 891713599 /nfs/dbraw/zinc/71/35/99/891713599.db2.gz VVDNQLJYLIMCMZ-YIZRAAEISA-N 0 3 286.332 -2.608 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cc1cc[nH]n1)C(N)=O ZINC001447055757 891713942 /nfs/dbraw/zinc/71/39/42/891713942.db2.gz RAMJKRUUIPTMSL-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN Cc1ncoc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001447058369 891713969 /nfs/dbraw/zinc/71/39/69/891713969.db2.gz UUSJZAILPCOLGG-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cn(C)c(=O)[nH]1)C(N)=O ZINC001447064191 891714082 /nfs/dbraw/zinc/71/40/82/891714082.db2.gz NCXKZGQAZOZKRK-QMMMGPOBSA-N 0 3 299.331 -1.976 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)Cc1cc[nH]n1 ZINC001447053674 891714145 /nfs/dbraw/zinc/71/41/45/891714145.db2.gz MWHDWPKTCBRTGR-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN CNC(=O)NCC(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001447061290 891714457 /nfs/dbraw/zinc/71/44/57/891714457.db2.gz VKVPAEIVPFPQJD-QMMMGPOBSA-N 0 3 289.336 -2.800 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cc1cnn(C)c1)C(N)=O ZINC001447058798 891714489 /nfs/dbraw/zinc/71/44/89/891714489.db2.gz VJCDKIANOLBNGC-JTQLQIEISA-N 0 3 297.359 -1.753 20 0 CAADHN C[C@H](C(=O)N(CCO)CCN[C@@H](C)C(N)=O)n1cccn1 ZINC001447059580 891714781 /nfs/dbraw/zinc/71/47/81/891714781.db2.gz WKSZWOCZTQLYOL-WDEREUQCSA-N 0 3 297.359 -1.272 20 0 CAADHN Cc1ncc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)n1C ZINC001447064149 891714801 /nfs/dbraw/zinc/71/48/01/891714801.db2.gz MPZJVOLWZLKGFH-SECBINFHSA-N 0 3 297.359 -1.374 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cc[nH]n1)C(N)=O ZINC001447053691 891714846 /nfs/dbraw/zinc/71/48/46/891714846.db2.gz NCKSKQLICRRGJH-SECBINFHSA-N 0 3 283.332 -1.302 20 0 CAADHN O=C(c1nc[n-]n1)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001447063224 891715244 /nfs/dbraw/zinc/71/52/44/891715244.db2.gz ZOYZCXCVOGNGSB-VIFPVBQESA-N 0 3 296.331 -1.893 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCCCO2)CCO1 ZINC001447262812 891716776 /nfs/dbraw/zinc/71/67/76/891716776.db2.gz IEGPYOKLSNLYNN-WDEREUQCSA-N 0 3 285.344 -1.142 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCO1 ZINC001447264827 891716804 /nfs/dbraw/zinc/71/68/04/891716804.db2.gz JGHNOEAUXSZBLL-UWVGGRQHSA-N 0 3 298.343 -2.185 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)CCO1 ZINC001447264831 891717229 /nfs/dbraw/zinc/71/72/29/891717229.db2.gz JGHNOEAUXSZBLL-VHSXEESVSA-N 0 3 298.343 -2.185 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CNC(=O)N2)CCC1 ZINC001447225901 891717353 /nfs/dbraw/zinc/71/73/53/891717353.db2.gz AMNRUNGHIXYPKH-QMMMGPOBSA-N 0 3 283.332 -1.958 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2COC(=O)N2)CCC1 ZINC001447203261 891717786 /nfs/dbraw/zinc/71/77/86/891717786.db2.gz WVPRTFHISVZSAI-ZETCQYMHSA-N 0 3 270.289 -1.791 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CNC(=O)N2)CCC1 ZINC001447225893 891717854 /nfs/dbraw/zinc/71/78/54/891717854.db2.gz AMNRUNGHIXYPKH-MRVPVSSYSA-N 0 3 283.332 -1.958 20 0 CAADHN CC[C@@H](OC)C(=O)N1CCO[C@@H](CNCC(=O)NC)C1 ZINC001447256157 891718651 /nfs/dbraw/zinc/71/86/51/891718651.db2.gz CJQXQFMGBOJZOL-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CCn1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)nn1 ZINC001447297984 891719519 /nfs/dbraw/zinc/71/95/19/891719519.db2.gz DELYJXBFJHNSEN-VIFPVBQESA-N 0 3 296.331 -1.786 20 0 CAADHN Cc1nonc1CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001447301708 891719624 /nfs/dbraw/zinc/71/96/24/891719624.db2.gz HPDZNEOXFDUCKR-SECBINFHSA-N 0 3 297.315 -1.777 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001447286102 891720022 /nfs/dbraw/zinc/72/00/22/891720022.db2.gz SIVCZXAPJBLVEP-JGVFFNPUSA-N 0 3 287.320 -2.655 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCO2)CCO1 ZINC001447273252 891720217 /nfs/dbraw/zinc/72/02/17/891720217.db2.gz UKDKRRGCUOJUDW-NXEZZACHSA-N 0 3 271.317 -1.532 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001447267739 891720274 /nfs/dbraw/zinc/72/02/74/891720274.db2.gz LFDIJOBEVKDYDO-VIFPVBQESA-N 0 3 272.305 -2.575 20 0 CAADHN Cn1nc(C(=O)NCC2(NCC(N)=O)CCC2)ccc1=O ZINC001447266241 891720327 /nfs/dbraw/zinc/72/03/27/891720327.db2.gz YVIJZWONUJJWTB-UHFFFAOYSA-N 0 3 293.327 -1.492 20 0 CAADHN Cc1nonc1CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001447301765 891721034 /nfs/dbraw/zinc/72/10/34/891721034.db2.gz HPDZNEOXFDUCKR-VIFPVBQESA-N 0 3 297.315 -1.777 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001447284334 891721102 /nfs/dbraw/zinc/72/11/02/891721102.db2.gz BTZIXFKGBKPXEU-LLVKDONJSA-N 0 3 293.327 -1.347 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)Cn2cncn2)CCO1)C(N)=O ZINC001447296549 891721193 /nfs/dbraw/zinc/72/11/93/891721193.db2.gz CCFHJFPWLYCPKZ-ZJUUUORDSA-N 0 3 296.331 -2.031 20 0 CAADHN CCn1ccnc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001447279498 891721475 /nfs/dbraw/zinc/72/14/75/891721475.db2.gz FELHSTCMHRUGHP-JTQLQIEISA-N 0 3 295.343 -1.181 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cccnn2)CCO1 ZINC001447304794 891721831 /nfs/dbraw/zinc/72/18/31/891721831.db2.gz KZDOTNHZHQZJHX-VIFPVBQESA-N 0 3 279.300 -1.608 20 0 CAADHN Cc1c(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)cnn1C ZINC001447267598 891721978 /nfs/dbraw/zinc/72/19/78/891721978.db2.gz LBUVRNIWRXVCOX-JTQLQIEISA-N 0 3 295.343 -1.356 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCO1 ZINC001447273270 891722282 /nfs/dbraw/zinc/72/22/82/891722282.db2.gz UKDKRRGCUOJUDW-ZJUUUORDSA-N 0 3 271.317 -1.532 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCCO2)CCO1 ZINC001447273264 891722410 /nfs/dbraw/zinc/72/24/10/891722410.db2.gz UKDKRRGCUOJUDW-VHSXEESVSA-N 0 3 271.317 -1.532 20 0 CAADHN C[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cn[n-]n2)C1 ZINC001447454569 891727551 /nfs/dbraw/zinc/72/75/51/891727551.db2.gz AWAKGKJKEYAAAI-BXKDBHETSA-N 0 3 283.332 -1.258 20 0 CAADHN C[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)c2cn[n-]n2)C1 ZINC001447454571 891727579 /nfs/dbraw/zinc/72/75/79/891727579.db2.gz AWAKGKJKEYAAAI-JOYOIKCWSA-N 0 3 283.332 -1.258 20 0 CAADHN NC(=O)CNCC1(NC(=O)C2=COCCO2)CCOCC1 ZINC001447474525 891728245 /nfs/dbraw/zinc/72/82/45/891728245.db2.gz YSSWLOGCPCEGSC-UHFFFAOYSA-N 0 3 299.327 -1.385 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2cnsn2)CCOCC1 ZINC001447477726 891728563 /nfs/dbraw/zinc/72/85/63/891728563.db2.gz HEMZKVUDDWZICE-UHFFFAOYSA-N 0 3 299.356 -1.108 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2csnn2)CCOCC1 ZINC001447488747 891729004 /nfs/dbraw/zinc/72/90/04/891729004.db2.gz MTLPEQGIVUSFQB-UHFFFAOYSA-N 0 3 299.356 -1.108 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnco2)C[C@@H]1NCC(=O)NC(N)=O ZINC001447542473 891730478 /nfs/dbraw/zinc/73/04/78/891730478.db2.gz IBILTRJRATZPPK-SFYZADRCSA-N 0 3 295.299 -1.080 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001447548443 891731708 /nfs/dbraw/zinc/73/17/08/891731708.db2.gz PGKXQAIOGHVIPK-ZJUUUORDSA-N 0 3 295.347 -1.754 20 0 CAADHN Cc1n[nH]cc1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001447607594 891732009 /nfs/dbraw/zinc/73/20/09/891732009.db2.gz CZLAPRGDZOBZSN-UHFFFAOYSA-N 0 3 295.343 -1.240 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1C ZINC001447553242 891732130 /nfs/dbraw/zinc/73/21/30/891732130.db2.gz XKQBEXWNFAUOIW-NWDGAFQWSA-N 0 3 298.387 -1.499 20 0 CAADHN C[C@@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1NCC(N)=O ZINC001447567177 891732605 /nfs/dbraw/zinc/73/26/05/891732605.db2.gz NFTSUVAUUMWRDZ-SFYZADRCSA-N 0 3 271.321 -2.033 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)Cn2cncn2)CC1 ZINC001447738791 891737004 /nfs/dbraw/zinc/73/70/04/891737004.db2.gz QMAPTQHVBFTMLE-NSHDSACASA-N 0 3 297.359 -1.398 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)Cn2cncn2)CC1 ZINC001447738787 891737765 /nfs/dbraw/zinc/73/77/65/891737765.db2.gz QMAPTQHVBFTMLE-LLVKDONJSA-N 0 3 297.359 -1.398 20 0 CAADHN Cc1nnc(CC(=O)NC2(CO)CCN(CCO)CC2)o1 ZINC001447713581 891738454 /nfs/dbraw/zinc/73/84/54/891738454.db2.gz CUYQHKPUGVCTLT-UHFFFAOYSA-N 0 3 298.343 -1.144 20 0 CAADHN Cc1nc(CN[C@H](C)[C@@H](C)NC(=O)c2nnn(C)n2)n[nH]1 ZINC001447886016 891740588 /nfs/dbraw/zinc/74/05/88/891740588.db2.gz ARCHXALRIGZTMP-RNFRBKRXSA-N 0 3 293.335 -1.067 20 0 CAADHN C[C@@H](NCC(=O)N1CCNC(=O)C1)[C@@H](C)NC(=O)C1CC1 ZINC001447831051 891740665 /nfs/dbraw/zinc/74/06/65/891740665.db2.gz NHOHCRLHHMSMKB-NXEZZACHSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cn2c(n1)COCC2 ZINC001447877294 891740881 /nfs/dbraw/zinc/74/08/81/891740881.db2.gz GXSFPEYQIZQLOB-BDAKNGLRSA-N 0 3 295.343 -1.005 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)[C@@H](C)NCC(N)=O)C1 ZINC001447828585 891741104 /nfs/dbraw/zinc/74/11/04/891741104.db2.gz GTMRXTGYJWRFCP-SFYZADRCSA-N 0 3 270.333 -1.567 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001447834760 891741608 /nfs/dbraw/zinc/74/16/08/891741608.db2.gz ADOIRADISLTVKG-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@H](NCC(=O)N1CCNC(=O)C1)[C@H](C)NC(=O)C1CC1 ZINC001447831055 891741664 /nfs/dbraw/zinc/74/16/64/891741664.db2.gz NHOHCRLHHMSMKB-UWVGGRQHSA-N 0 3 296.371 -1.162 20 0 CAADHN Cc1nc(CN[C@@H](C)[C@H](C)NC(=O)c2nnn(C)n2)n[nH]1 ZINC001447886011 891742132 /nfs/dbraw/zinc/74/21/32/891742132.db2.gz ARCHXALRIGZTMP-BQBZGAKWSA-N 0 3 293.335 -1.067 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CS(C)(=O)=O ZINC001447840592 891742247 /nfs/dbraw/zinc/74/22/47/891742247.db2.gz VUSHDLXFMSLJHZ-SFYZADRCSA-N 0 3 279.362 -1.740 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001447905558 891743759 /nfs/dbraw/zinc/74/37/59/891743759.db2.gz JZUKRCCFHGTNPB-BDAKNGLRSA-N 0 3 282.348 -1.284 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001447930853 891744043 /nfs/dbraw/zinc/74/40/43/891744043.db2.gz HALYGBXGJKVGEA-RNFRBKRXSA-N 0 3 280.350 -2.496 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001447926563 891744092 /nfs/dbraw/zinc/74/40/92/891744092.db2.gz BZWDHTINDBKQOQ-HTQZYQBOSA-N 0 3 294.377 -2.236 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001447928561 891744396 /nfs/dbraw/zinc/74/43/96/891744396.db2.gz FNLRPEMXSNPUJQ-YUMQZZPRSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@@H](NC(=O)c1cn(C)ccc1=O)[C@H](C)NCC(N)=O ZINC001447896951 891744712 /nfs/dbraw/zinc/74/47/12/891744712.db2.gz RFWUVHMDGBGPGW-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](NC(=O)c1ccnc2n[nH]nc21)[C@H](C)NCC(N)=O ZINC001447903839 891745004 /nfs/dbraw/zinc/74/50/04/891745004.db2.gz VNMNDRFSYSHBDJ-NKWVEPMBSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1ccnc2n[nH]nc21 ZINC001447903842 891745222 /nfs/dbraw/zinc/74/52/22/891745222.db2.gz VNMNDRFSYSHBDJ-RNFRBKRXSA-N 0 3 291.315 -1.065 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001447933352 891745900 /nfs/dbraw/zinc/74/59/00/891745900.db2.gz NSMJKAGMLPRGAI-IUCAKERBSA-N 0 3 297.359 -1.434 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cccn(C)c1=O ZINC001447935862 891745918 /nfs/dbraw/zinc/74/59/18/891745918.db2.gz SXPVTFJYNJRYHQ-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)CCO ZINC001448031056 891746849 /nfs/dbraw/zinc/74/68/49/891746849.db2.gz DKHCONYMTYSMEW-VIFPVBQESA-N 0 3 281.378 -1.693 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)C1CN(CCCO)C1 ZINC001448361477 891760719 /nfs/dbraw/zinc/76/07/19/891760719.db2.gz PMCPUWRLLTVGGR-VIFPVBQESA-N 0 3 293.389 -1.646 20 0 CAADHN CN1CCN(CCNC(=O)C2(O)COC2)CC1(C)C ZINC001448366146 891760865 /nfs/dbraw/zinc/76/08/65/891760865.db2.gz BISUNNMFGBOCCH-UHFFFAOYSA-N 0 3 271.361 -1.110 20 0 CAADHN COC[C@H](O)CN1CC([C@H](C)NC(=O)c2cnn(C)n2)C1 ZINC001448344407 891762341 /nfs/dbraw/zinc/76/23/41/891762341.db2.gz RBODHNWJAXGQNE-GXSJLCMTSA-N 0 3 297.359 -1.128 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001448463879 891763601 /nfs/dbraw/zinc/76/36/01/891763601.db2.gz IJXBXQNIUOHHJJ-BDAKNGLRSA-N 0 3 281.316 -1.286 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]n3)[C@@H]2C1 ZINC001448446744 891763712 /nfs/dbraw/zinc/76/37/12/891763712.db2.gz VWEFRDWVSCBPJH-AATLWQCWSA-N 0 3 292.343 -1.485 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001448479276 891763749 /nfs/dbraw/zinc/76/37/49/891763749.db2.gz ZEYHALODOSTZQB-DTWKUNHWSA-N 0 3 297.319 -2.636 20 0 CAADHN CCOCC(=O)N1CCO[C@H]([C@H](C)NCC(=O)NC)C1 ZINC001448465399 891763808 /nfs/dbraw/zinc/76/38/08/891763808.db2.gz HOQHKPSAYLBJOT-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001448468753 891763926 /nfs/dbraw/zinc/76/39/26/891763926.db2.gz YSHJFGZTMLZWNH-MWLCHTKSSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001448463884 891764115 /nfs/dbraw/zinc/76/41/15/891764115.db2.gz IJXBXQNIUOHHJJ-IUCAKERBSA-N 0 3 281.316 -1.286 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]n3)[C@@H]2C1 ZINC001448446747 891764203 /nfs/dbraw/zinc/76/42/03/891764203.db2.gz VWEFRDWVSCBPJH-KYXWUPHJSA-N 0 3 292.343 -1.485 20 0 CAADHN C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001448527048 891764226 /nfs/dbraw/zinc/76/42/26/891764226.db2.gz DYSLSSPDQRFVCC-IWSPIJDZSA-N 0 3 280.332 -1.295 20 0 CAADHN C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001448527039 891764919 /nfs/dbraw/zinc/76/49/19/891764919.db2.gz DYSLSSPDQRFVCC-CIUDSAMLSA-N 0 3 280.332 -1.295 20 0 CAADHN Cc1nonc1C(=O)N1CCO[C@H]([C@@H](C)NCC(N)=O)C1 ZINC001448466267 891765248 /nfs/dbraw/zinc/76/52/48/891765248.db2.gz RZDNWJOCZLLBSV-APPZFPTMSA-N 0 3 297.315 -1.318 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O ZINC001448633423 891766175 /nfs/dbraw/zinc/76/61/75/891766175.db2.gz DELZJLBHNZYGMV-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001448627259 891766292 /nfs/dbraw/zinc/76/62/92/891766292.db2.gz FLUPIZSFGAQCIR-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CN(C)C(=O)CNC(=O)N1CCCC1)NCC(N)=O ZINC001448649797 891766374 /nfs/dbraw/zinc/76/63/74/891766374.db2.gz JKGZKPGDLYUDAV-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCCC1=O)N[C@H](C)C(N)=O ZINC001448629697 891766709 /nfs/dbraw/zinc/76/67/09/891766709.db2.gz HINQYRSYZBQQOZ-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)N[C@H]1CCNC1=O ZINC001448637174 891766858 /nfs/dbraw/zinc/76/68/58/891766858.db2.gz XZIYPCITFKZUSU-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN CN(C(=O)[C@]1(C)CCC(=O)N1)[C@H](CNCC(N)=O)C1CC1 ZINC001448589844 891766977 /nfs/dbraw/zinc/76/69/77/891766977.db2.gz JAVAFFRPPNSUII-YGRLFVJLSA-N 0 3 296.371 -1.033 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001448643825 891767040 /nfs/dbraw/zinc/76/70/40/891767040.db2.gz AHALEOUSQFRZIV-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)N[C@H]1CCNC1=O ZINC001448637182 891767142 /nfs/dbraw/zinc/76/71/42/891767142.db2.gz XZIYPCITFKZUSU-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)NCC(=O)N(C)C ZINC001448646542 891767206 /nfs/dbraw/zinc/76/72/06/891767206.db2.gz GCLDFOJWGDGDAK-BDAKNGLRSA-N 0 3 287.364 -1.432 20 0 CAADHN C[C@H](CN(C)C(=O)Cc1cc[nH]n1)NCC(=O)NC(N)=O ZINC001448632179 891767880 /nfs/dbraw/zinc/76/78/80/891767880.db2.gz BESFBLYQHNLRQT-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCCC1=O)N[C@@H](C)C(N)=O ZINC001448629707 891767954 /nfs/dbraw/zinc/76/79/54/891767954.db2.gz HINQYRSYZBQQOZ-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cncnc1)NCC(=O)NC(N)=O ZINC001448649071 891768060 /nfs/dbraw/zinc/76/80/60/891768060.db2.gz ISLGJYCOHQIJRF-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)N[C@@H](C)C(N)=O ZINC001448634527 891768464 /nfs/dbraw/zinc/76/84/64/891768464.db2.gz SOPARXFPFKMSAW-BDAKNGLRSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)NCC(N)=O ZINC001448710528 891769898 /nfs/dbraw/zinc/76/98/98/891769898.db2.gz OFLFVMAWAJYQFO-DTWKUNHWSA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)NCC(N)=O ZINC001448708245 891770102 /nfs/dbraw/zinc/77/01/02/891770102.db2.gz YNHGKOYVWYORLJ-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)NCC(N)=O ZINC001448698295 891770281 /nfs/dbraw/zinc/77/02/81/891770281.db2.gz MSJKEYROOMKFPA-MRVPVSSYSA-N 0 3 284.320 -2.496 20 0 CAADHN CC[C@H](C(=O)N(C)CCNC(=O)Cn1cnnn1)N(C)C ZINC001448702478 891770350 /nfs/dbraw/zinc/77/03/50/891770350.db2.gz UMALVCBAAJRQSM-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001448663878 891771601 /nfs/dbraw/zinc/77/16/01/891771601.db2.gz ROELRRDBFCOYQK-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN(C)C(=O)c1cccc(C(N)=O)n1)NCC(N)=O ZINC001448770077 891772997 /nfs/dbraw/zinc/77/29/97/891772997.db2.gz CWUABUZTLXOZNR-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001448768576 891774015 /nfs/dbraw/zinc/77/40/15/891774015.db2.gz BGNJHCSCMLMTGK-MWLCHTKSSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)NCC(N)=O ZINC001448729380 891774040 /nfs/dbraw/zinc/77/40/40/891774040.db2.gz TWNVRHKEJBJYPW-ZETCQYMHSA-N 0 3 281.316 -1.351 20 0 CAADHN CN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)[C@@H]1CCCN1C ZINC001448741178 891774542 /nfs/dbraw/zinc/77/45/42/891774542.db2.gz DEIKCBUYWFAFOW-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)n1)NCC(N)=O ZINC001448770080 891774572 /nfs/dbraw/zinc/77/45/72/891774572.db2.gz CWUABUZTLXOZNR-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001448776054 891774744 /nfs/dbraw/zinc/77/47/44/891774744.db2.gz OEYPEAASIONFFU-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN Cc1nn(CC(=O)N(C)C[C@@H](C)NCC(N)=O)c(=O)n1C ZINC001448767591 891775021 /nfs/dbraw/zinc/77/50/21/891775021.db2.gz UOHBJNXJKLWNIC-MRVPVSSYSA-N 0 3 298.347 -2.188 20 0 CAADHN Cc1nn(CC(=O)N(C)C[C@H](C)NCC(N)=O)c(=O)n1C ZINC001448767631 891775043 /nfs/dbraw/zinc/77/50/43/891775043.db2.gz UOHBJNXJKLWNIC-QMMMGPOBSA-N 0 3 298.347 -2.188 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCCC1=O)[C@H]1CCCO1 ZINC001448813220 891779857 /nfs/dbraw/zinc/77/98/57/891779857.db2.gz RLIRPTKGMRFVQR-VXGBXAGGSA-N 0 3 299.371 -1.146 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCCC1=O)[C@@H]1CCCO1 ZINC001448813209 891780372 /nfs/dbraw/zinc/78/03/72/891780372.db2.gz RLIRPTKGMRFVQR-NEPJUHHUSA-N 0 3 299.371 -1.146 20 0 CAADHN Cn1nncc1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001448826581 891785260 /nfs/dbraw/zinc/78/52/60/891785260.db2.gz JCNUYPVRCJFXSC-VIFPVBQESA-N 0 3 294.319 -2.213 20 0 CAADHN CC(C)(O)CC(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001448830718 891789123 /nfs/dbraw/zinc/78/91/23/891789123.db2.gz PLVDXSZHQZVPGL-JTQLQIEISA-N 0 3 285.348 -1.494 20 0 CAADHN CC(C)N1CCC[C@@H]1C(=O)NC[C@H](CO)NCC(N)=O ZINC001448846619 891790270 /nfs/dbraw/zinc/79/02/70/891790270.db2.gz SBRFOGWFGFEZAQ-GHMZBOCLSA-N 0 3 286.376 -1.589 20 0 CAADHN CCN(CC)CC(=O)NCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001448878790 891799102 /nfs/dbraw/zinc/79/91/02/891799102.db2.gz YJYSGYWXZDEAIQ-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)c1cnco1 ZINC001448875403 891800367 /nfs/dbraw/zinc/80/03/67/891800367.db2.gz LDEULXRQVJHGOD-SECBINFHSA-N 0 3 297.315 -1.620 20 0 CAADHN O=C(NC[C@H](CO)NCc1ccccc1)[C@H]1CNC(=O)N1 ZINC001448893272 891801635 /nfs/dbraw/zinc/80/16/35/891801635.db2.gz VFQDNQOCNKHUFS-VXGBXAGGSA-N 0 3 292.339 -1.065 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@@H](CO)[NH2+]Cc1cnn(C)c1 ZINC001448898025 891805624 /nfs/dbraw/zinc/80/56/24/891805624.db2.gz YNQHDZUHTFRRHG-JTQLQIEISA-N 0 3 293.331 -1.273 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NCc1cnn(C)n1)N(C)C ZINC001448910146 891806590 /nfs/dbraw/zinc/80/65/90/891806590.db2.gz PAMAOMFXDWEHNT-NEPJUHHUSA-N 0 3 298.391 -1.278 20 0 CAADHN CCOCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001448958965 891815684 /nfs/dbraw/zinc/81/56/84/891815684.db2.gz HGFUPXRJJHPNGZ-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCNC(=O)NC)C1 ZINC001448995321 891818507 /nfs/dbraw/zinc/81/85/07/891818507.db2.gz IPORQGKJJYMPDA-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CCNC(=O)NC)C1 ZINC001448995313 891818538 /nfs/dbraw/zinc/81/85/38/891818538.db2.gz IPORQGKJJYMPDA-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2cnnn2C)C1 ZINC001449001577 891818585 /nfs/dbraw/zinc/81/85/85/891818585.db2.gz PMHRXWJJENXMDM-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)Cn2cncn2)CC1(C)C ZINC001449078048 891819083 /nfs/dbraw/zinc/81/90/83/891819083.db2.gz ATQMYZMMUKBNAD-SNVBAGLBSA-N 0 3 294.359 -1.149 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCNC(=O)NC)C1 ZINC001448995317 891819359 /nfs/dbraw/zinc/81/93/59/891819359.db2.gz IPORQGKJJYMPDA-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CN(C)C(C)=O)C1 ZINC001448979287 891819584 /nfs/dbraw/zinc/81/95/84/891819584.db2.gz IWXFHWYMWHZGFB-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C ZINC001448987867 891819967 /nfs/dbraw/zinc/81/99/67/891819967.db2.gz YNXZORSOXCWIAP-ZJUUUORDSA-N 0 3 280.332 -1.397 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001449066774 891820022 /nfs/dbraw/zinc/82/00/22/891820022.db2.gz WYAOKPAJUVCWFY-NXEZZACHSA-N 0 3 294.359 -1.032 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCNC(=O)NC)C1 ZINC001448995325 891820406 /nfs/dbraw/zinc/82/04/06/891820406.db2.gz IPORQGKJJYMPDA-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@@H](C(=O)NCCN(C)C(=O)Cn1cnnn1)N(C)C ZINC001449046043 891820536 /nfs/dbraw/zinc/82/05/36/891820536.db2.gz AVHLLHMACCBFTN-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001449066781 891820779 /nfs/dbraw/zinc/82/07/79/891820779.db2.gz WYAOKPAJUVCWFY-ZJUUUORDSA-N 0 3 294.359 -1.032 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCCC(N)=O)C1 ZINC001449016929 891821057 /nfs/dbraw/zinc/82/10/57/891821057.db2.gz NNLHYEMTXFSIPY-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001449078998 891821382 /nfs/dbraw/zinc/82/13/82/891821382.db2.gz KPFQESKUYKSHHJ-NSHDSACASA-N 0 3 273.333 -1.726 20 0 CAADHN C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)Cn1cnnn1 ZINC001448979232 891821461 /nfs/dbraw/zinc/82/14/61/891821461.db2.gz IRVPMNSAVYUFJI-UWVGGRQHSA-N 0 3 295.347 -1.660 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C(C)C ZINC001449074162 891821955 /nfs/dbraw/zinc/82/19/55/891821955.db2.gz FDILDUTUWWEQLB-NSHDSACASA-N 0 3 289.376 -1.092 20 0 CAADHN Cc1nscc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001449109721 891822660 /nfs/dbraw/zinc/82/26/60/891822660.db2.gz JPVJQHAYZUDBMF-MRVPVSSYSA-N 0 3 286.357 -1.041 20 0 CAADHN CCCN(C)CC(=O)NCCN(C)C(=O)CNC(N)=O ZINC001449084085 891822897 /nfs/dbraw/zinc/82/28/97/891822897.db2.gz SEMSIVMNHZVBNR-UHFFFAOYSA-N 0 3 287.364 -1.429 20 0 CAADHN CO[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)NC(C)C ZINC001449094758 891822986 /nfs/dbraw/zinc/82/29/86/891822986.db2.gz PGQBUZKZLKZTEI-WDEREUQCSA-N 0 3 289.376 -1.045 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(C)n[nH]1 ZINC001449089638 891823183 /nfs/dbraw/zinc/82/31/83/891823183.db2.gz BUBKWNDBZWQUPB-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(C)[nH]n1 ZINC001449089638 891823198 /nfs/dbraw/zinc/82/31/98/891823198.db2.gz BUBKWNDBZWQUPB-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C)on1 ZINC001449094409 891823226 /nfs/dbraw/zinc/82/32/26/891823226.db2.gz RKDWGAHBFHFMJR-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc(C)on1 ZINC001449094407 891823710 /nfs/dbraw/zinc/82/37/10/891823710.db2.gz RKDWGAHBFHFMJR-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001449097988 891823735 /nfs/dbraw/zinc/82/37/35/891823735.db2.gz VYABFTCWIZQKRT-JGVFFNPUSA-N 0 3 290.320 -2.375 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CS(C)(=O)=O ZINC001449099012 891823760 /nfs/dbraw/zinc/82/37/60/891823760.db2.gz YANWAUIPWQAVDY-QMMMGPOBSA-N 0 3 295.361 -2.814 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001449110841 891824668 /nfs/dbraw/zinc/82/46/68/891824668.db2.gz JYSVFASKERANQO-QMMMGPOBSA-N 0 3 274.321 -2.593 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1COCCO1 ZINC001449107417 891824795 /nfs/dbraw/zinc/82/47/95/891824795.db2.gz BFFBIMQHBLYIGG-RKDXNWHRSA-N 0 3 275.305 -2.704 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)C1CC1 ZINC001449094511 891825084 /nfs/dbraw/zinc/82/50/84/891825084.db2.gz QMNHUTWUAJIQEA-QMMMGPOBSA-N 0 3 272.305 -2.000 20 0 CAADHN Cc1cc(CC(=O)N(C)C[C@H](O)CNCC(N)=O)no1 ZINC001449106292 891825427 /nfs/dbraw/zinc/82/54/27/891825427.db2.gz FNLPFLBXRBGJIF-SNVBAGLBSA-N 0 3 284.316 -1.580 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)CNC(C)=O)C(N)=O ZINC001449103686 891825645 /nfs/dbraw/zinc/82/56/45/891825645.db2.gz PUZLMICDHSSRDQ-VHSXEESVSA-N 0 3 288.348 -2.205 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@H]2CCNC2=O)[nH]n1 ZINC001449090823 891825677 /nfs/dbraw/zinc/82/56/77/891825677.db2.gz FCEIIGGJZMXTHD-ZJUUUORDSA-N 0 3 295.343 -1.371 20 0 CAADHN C[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)n1cccn1 ZINC001449097065 891825910 /nfs/dbraw/zinc/82/59/10/891825910.db2.gz SGWLNAJOHHGRRI-NXEZZACHSA-N 0 3 283.332 -1.662 20 0 CAADHN CO[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)NC(C)C ZINC001449094756 891825962 /nfs/dbraw/zinc/82/59/62/891825962.db2.gz PGQBUZKZLKZTEI-MNOVXSKESA-N 0 3 289.376 -1.045 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001449101636 891826372 /nfs/dbraw/zinc/82/63/72/891826372.db2.gz LYRJCOVMTCOYRP-IUCAKERBSA-N 0 3 296.327 -1.317 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)CC(C)(C)O ZINC001449116104 891827057 /nfs/dbraw/zinc/82/70/57/891827057.db2.gz HFMAWFABFAOZIX-VHSXEESVSA-N 0 3 289.376 -1.309 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccsn1 ZINC001449125785 891827317 /nfs/dbraw/zinc/82/73/17/891827317.db2.gz LMNHTDDMIHQSIH-SSDOTTSWSA-N 0 3 272.330 -1.349 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccsn1 ZINC001449130618 891827659 /nfs/dbraw/zinc/82/76/59/891827659.db2.gz RIMKLLFXTTXROZ-MRVPVSSYSA-N 0 3 286.357 -1.088 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CCn1cncn1 ZINC001449128784 891828863 /nfs/dbraw/zinc/82/88/63/891828863.db2.gz YCSOPFGHKMKDSV-SNVBAGLBSA-N 0 3 298.347 -2.177 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1c(C)ncn1C ZINC001449117808 891829174 /nfs/dbraw/zinc/82/91/74/891829174.db2.gz CTDKWHZIGWIDBW-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1cc(C)on1 ZINC001449124645 891829199 /nfs/dbraw/zinc/82/91/99/891829199.db2.gz ZLEXMPOTVWTNNE-NSHDSACASA-N 0 3 298.343 -1.320 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001449130376 891829668 /nfs/dbraw/zinc/82/96/68/891829668.db2.gz XFQLDUPGCVDNNB-DTWKUNHWSA-N 0 3 298.347 -1.899 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001449130319 891830015 /nfs/dbraw/zinc/83/00/15/891830015.db2.gz XFQLDUPGCVDNNB-BDAKNGLRSA-N 0 3 298.347 -1.899 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ncc[nH]1 ZINC001449114906 891830210 /nfs/dbraw/zinc/83/02/10/891830210.db2.gz BGHWSFXFXLQWMN-DTWKUNHWSA-N 0 3 281.316 -1.679 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001449141218 891831574 /nfs/dbraw/zinc/83/15/74/891831574.db2.gz ZXHXGISFOHBUFN-RKDXNWHRSA-N 0 3 286.332 -2.593 20 0 CAADHN COCC(C)(C)C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001449136836 891831496 /nfs/dbraw/zinc/83/14/96/891831496.db2.gz INNPLESKTVYCFX-ZJUUUORDSA-N 0 3 289.376 -1.058 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)CCc1ccon1)C(N)=O ZINC001449142359 891831670 /nfs/dbraw/zinc/83/16/70/891831670.db2.gz VPFYHHINMDOZGL-ONGXEEELSA-N 0 3 298.343 -1.110 20 0 CAADHN CO[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1CCC1 ZINC001449137116 891831835 /nfs/dbraw/zinc/83/18/35/891831835.db2.gz SQASDKMZYFOQEF-JQWIXIFHSA-N 0 3 287.360 -1.304 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C(C)(C)COC ZINC001449136902 891831864 /nfs/dbraw/zinc/83/18/64/891831864.db2.gz IUVLWQFFDKKXCX-JTQLQIEISA-N 0 3 289.376 -1.186 20 0 CAADHN CCn1cnc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)c1 ZINC001449154237 891832152 /nfs/dbraw/zinc/83/21/52/891832152.db2.gz ABJILTJELJLCGC-NXEZZACHSA-N 0 3 297.359 -1.201 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001449148814 891832422 /nfs/dbraw/zinc/83/24/22/891832422.db2.gz VQSDFOGYNXKHKG-SECBINFHSA-N 0 3 283.332 -1.811 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1cnon1 ZINC001449160539 891832588 /nfs/dbraw/zinc/83/25/88/891832588.db2.gz HSOBZZGUFNJKBG-DTWKUNHWSA-N 0 3 297.315 -1.677 20 0 CAADHN CCn1cnc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)c1 ZINC001449154244 891832766 /nfs/dbraw/zinc/83/27/66/891832766.db2.gz ABJILTJELJLCGC-ZJUUUORDSA-N 0 3 297.359 -1.201 20 0 CAADHN Cc1ccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)c(=O)[nH]1 ZINC001449145836 891833021 /nfs/dbraw/zinc/83/30/21/891833021.db2.gz JTDUUMQDHIDHCU-SECBINFHSA-N 0 3 296.327 -1.397 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C(C)(C)COC ZINC001449136905 891833212 /nfs/dbraw/zinc/83/32/12/891833212.db2.gz IUVLWQFFDKKXCX-SNVBAGLBSA-N 0 3 289.376 -1.186 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001449147451 891833344 /nfs/dbraw/zinc/83/33/44/891833344.db2.gz KCQSBTGEVPFWTM-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN COCC(C)(C)C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001449136830 891833483 /nfs/dbraw/zinc/83/34/83/891833483.db2.gz INNPLESKTVYCFX-NXEZZACHSA-N 0 3 289.376 -1.058 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001449155631 891834279 /nfs/dbraw/zinc/83/42/79/891834279.db2.gz BCGROPLUPNQCCY-SECBINFHSA-N 0 3 298.347 -1.647 20 0 CAADHN CCCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449155631 891834293 /nfs/dbraw/zinc/83/42/93/891834293.db2.gz BCGROPLUPNQCCY-SECBINFHSA-N 0 3 298.347 -1.647 20 0 CAADHN CN(C[C@@H](O)C[NH2+]Cc1cnn(C)c1)C(=O)c1nc[n-]n1 ZINC001449157816 891834804 /nfs/dbraw/zinc/83/48/04/891834804.db2.gz DRUYGJGOSCDVMZ-JTQLQIEISA-N 0 3 293.331 -1.239 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)CCc1ccon1)C(N)=O ZINC001449142355 891834706 /nfs/dbraw/zinc/83/47/06/891834706.db2.gz VPFYHHINMDOZGL-KOLCDFICSA-N 0 3 298.343 -1.110 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nc(C)c[nH]1 ZINC001449144773 891834717 /nfs/dbraw/zinc/83/47/17/891834717.db2.gz DRDKXDWPXMYKOG-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)c1nc[nH]n1 ZINC001449157816 891834814 /nfs/dbraw/zinc/83/48/14/891834814.db2.gz DRUYGJGOSCDVMZ-JTQLQIEISA-N 0 3 293.331 -1.239 20 0 CAADHN COCC(C)(C)C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001449136833 891834971 /nfs/dbraw/zinc/83/49/71/891834971.db2.gz INNPLESKTVYCFX-UWVGGRQHSA-N 0 3 289.376 -1.058 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cncn1C ZINC001449141067 891835031 /nfs/dbraw/zinc/83/50/31/891835031.db2.gz HRQMGNJNYXULMH-ZJUUUORDSA-N 0 3 297.359 -1.423 20 0 CAADHN Cc1noc(C)c1CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001449189971 891835878 /nfs/dbraw/zinc/83/58/78/891835878.db2.gz UYGRKIIPWCNRRP-JTQLQIEISA-N 0 3 298.343 -1.272 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001449172812 891836131 /nfs/dbraw/zinc/83/61/31/891836131.db2.gz BJDDMLHWOHLGLV-VHSXEESVSA-N 0 3 296.331 -2.425 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cn1ccccc1=O ZINC001449176849 891836845 /nfs/dbraw/zinc/83/68/45/891836845.db2.gz GTQHABZHCUTAHD-JTQLQIEISA-N 0 3 296.327 -2.258 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cc1cncn1C)C(N)=O ZINC001449166546 891836987 /nfs/dbraw/zinc/83/69/87/891836987.db2.gz XLJIIABMKIFPCW-GXSJLCMTSA-N 0 3 297.359 -1.755 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1ccnc1 ZINC001449174058 891837024 /nfs/dbraw/zinc/83/70/24/891837024.db2.gz JLDKEJNYSQMPAQ-JTQLQIEISA-N 0 3 283.332 -1.962 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CCn1cnnn1 ZINC001449164861 891837740 /nfs/dbraw/zinc/83/77/40/891837740.db2.gz NSNHHVHTALBEHJ-SECBINFHSA-N 0 3 299.335 -2.782 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)COc1ccccc1 ZINC001449170352 891838240 /nfs/dbraw/zinc/83/82/40/891838240.db2.gz JBNUWFJEMLKPBF-LLVKDONJSA-N 0 3 295.339 -1.040 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001449172808 891838285 /nfs/dbraw/zinc/83/82/85/891838285.db2.gz BJDDMLHWOHLGLV-UWVGGRQHSA-N 0 3 296.331 -2.425 20 0 CAADHN CC(=O)N(C)C[C@H](O)CN(C)CCN1CCNC1=O ZINC001449169961 891838468 /nfs/dbraw/zinc/83/84/68/891838468.db2.gz ASVOMQRFPPWNJQ-LLVKDONJSA-N 0 3 272.349 -1.217 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1nonc1C)C(N)=O ZINC001449178517 891838556 /nfs/dbraw/zinc/83/85/56/891838556.db2.gz VVXKNCOUISGJRE-RKDXNWHRSA-N 0 3 299.331 -1.336 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1nonc1C)C(N)=O ZINC001449178516 891838689 /nfs/dbraw/zinc/83/86/89/891838689.db2.gz VVXKNCOUISGJRE-IUCAKERBSA-N 0 3 299.331 -1.336 20 0 CAADHN Cc1noc(C)c1CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001449189979 891838709 /nfs/dbraw/zinc/83/87/09/891838709.db2.gz UYGRKIIPWCNRRP-SNVBAGLBSA-N 0 3 298.343 -1.272 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cn1ccccc1=O ZINC001449176880 891838939 /nfs/dbraw/zinc/83/89/39/891838939.db2.gz GTQHABZHCUTAHD-SNVBAGLBSA-N 0 3 296.327 -2.258 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)Cn1cncn1 ZINC001449172815 891839144 /nfs/dbraw/zinc/83/91/44/891839144.db2.gz BJDDMLHWOHLGLV-ZJUUUORDSA-N 0 3 296.331 -2.425 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001449161063 891839920 /nfs/dbraw/zinc/83/99/20/891839920.db2.gz YMLRWFHQJMMXTD-JGVFFNPUSA-N 0 3 299.335 -2.633 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)C[C@H](O)CN(C)CCO ZINC001449239468 891842056 /nfs/dbraw/zinc/84/20/56/891842056.db2.gz YWOLCYDJSHJYIB-SECBINFHSA-N 0 3 297.377 -2.721 20 0 CAADHN CCn1ncc(C(=O)N(C)C[C@H](O)CN(C)CCO)n1 ZINC001449191776 891842238 /nfs/dbraw/zinc/84/22/38/891842238.db2.gz QNQQKCLPSVJQKW-SNVBAGLBSA-N 0 3 285.348 -1.345 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001449207810 891843485 /nfs/dbraw/zinc/84/34/85/891843485.db2.gz CAZFQSNVEHRJDH-UWVGGRQHSA-N 0 3 288.348 -1.935 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001449249035 891843600 /nfs/dbraw/zinc/84/36/00/891843600.db2.gz IDZIKJOUDGYCJI-SNVBAGLBSA-N 0 3 285.348 -1.174 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001449207812 891843660 /nfs/dbraw/zinc/84/36/60/891843660.db2.gz CAZFQSNVEHRJDH-VHSXEESVSA-N 0 3 288.348 -1.935 20 0 CAADHN CN(CC(N)=O)C[C@@H](O)CN(C)C(=O)CCc1cnn[nH]1 ZINC001449218873 891843950 /nfs/dbraw/zinc/84/39/50/891843950.db2.gz UYIUGVWDKRNJDD-SNVBAGLBSA-N 0 3 298.347 -2.026 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)CCn1cncn1 ZINC001449195253 891844418 /nfs/dbraw/zinc/84/44/18/891844418.db2.gz JSFHGPLKIFJPON-LLVKDONJSA-N 0 3 285.348 -1.588 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)CCn1cncn1 ZINC001449195260 891844622 /nfs/dbraw/zinc/84/46/22/891844622.db2.gz JSFHGPLKIFJPON-NSHDSACASA-N 0 3 285.348 -1.588 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001449251606 891844755 /nfs/dbraw/zinc/84/47/55/891844755.db2.gz YHFHZSFKSNRRPG-JTQLQIEISA-N 0 3 298.343 -1.529 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001449249031 891845017 /nfs/dbraw/zinc/84/50/17/891845017.db2.gz IDZIKJOUDGYCJI-JTQLQIEISA-N 0 3 285.348 -1.174 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001449212279 891845693 /nfs/dbraw/zinc/84/56/93/891845693.db2.gz JVICJMMVPXFKLO-SECBINFHSA-N 0 3 298.343 -1.529 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001449251611 891846028 /nfs/dbraw/zinc/84/60/28/891846028.db2.gz YHFHZSFKSNRRPG-SNVBAGLBSA-N 0 3 298.343 -1.529 20 0 CAADHN COCCN(CCNC(=O)[C@H]1CNC(=O)N1)C[C@@H](C)O ZINC001449342678 891847383 /nfs/dbraw/zinc/84/73/83/891847383.db2.gz MTALEROEUJSEMW-NXEZZACHSA-N 0 3 288.348 -1.887 20 0 CAADHN COCCN(CCNC(=O)[C@@H]1CNC(=O)N1)C[C@@H](C)O ZINC001449342699 891848303 /nfs/dbraw/zinc/84/83/03/891848303.db2.gz MTALEROEUJSEMW-ZJUUUORDSA-N 0 3 288.348 -1.887 20 0 CAADHN COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449256297 891849499 /nfs/dbraw/zinc/84/94/99/891849499.db2.gz UABISNDVXGLCLB-SECBINFHSA-N 0 3 271.321 -1.184 20 0 CAADHN COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449256297 891849515 /nfs/dbraw/zinc/84/95/15/891849515.db2.gz UABISNDVXGLCLB-SECBINFHSA-N 0 3 271.321 -1.184 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)[C@H](C)NC(N)=O)C1 ZINC001450324123 891869843 /nfs/dbraw/zinc/86/98/43/891869843.db2.gz WYZCSUBAHHJQAB-VIFPVBQESA-N 0 3 299.375 -1.288 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001450439843 891872251 /nfs/dbraw/zinc/87/22/51/891872251.db2.gz HIVJUONBWAYSOG-UHFFFAOYSA-N 0 3 285.348 -1.677 20 0 CAADHN CC(=O)NCC(=O)N1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001450383300 891872603 /nfs/dbraw/zinc/87/26/03/891872603.db2.gz AQYBSUSAFMOLCS-UHFFFAOYSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001450345309 891873359 /nfs/dbraw/zinc/87/33/59/891873359.db2.gz LZBKNOVDCGQSGE-SNVBAGLBSA-N 0 3 297.359 -1.663 20 0 CAADHN CCN(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)COC ZINC001451284071 891892115 /nfs/dbraw/zinc/89/21/15/891892115.db2.gz NUJNVXFOJXTGDH-SNVBAGLBSA-N 0 3 289.376 -1.044 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001451328198 891898362 /nfs/dbraw/zinc/89/83/62/891898362.db2.gz QBPGMYALJUSNFQ-NSHDSACASA-N 0 3 297.359 -1.043 20 0 CAADHN COCCC(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001451480196 891914028 /nfs/dbraw/zinc/91/40/28/891914028.db2.gz WOKHREZWOJAWKX-JTQLQIEISA-N 0 3 298.343 -1.110 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1ccn[nH]1)N(C)C ZINC001451558031 891916104 /nfs/dbraw/zinc/91/61/04/891916104.db2.gz RBBZBUSSZKSAMN-ONGXEEELSA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NC(=O)c1ccn[nH]1)N(C)C ZINC001451558022 891917714 /nfs/dbraw/zinc/91/77/14/891917714.db2.gz RBBZBUSSZKSAMN-KOLCDFICSA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ccn[nH]1)N(C)C ZINC001452279878 891942056 /nfs/dbraw/zinc/94/20/56/891942056.db2.gz BDCHDYMUJOFSDF-KOLCDFICSA-N 0 3 297.359 -1.043 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](O)CNC(=O)CN(C)C(C)C ZINC001452282818 891942280 /nfs/dbraw/zinc/94/22/80/891942280.db2.gz HXWORCQMUPUVRU-GHMZBOCLSA-N 0 3 289.376 -1.045 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](O)CNC(=O)CN(C)C(C)C ZINC001452282837 891943721 /nfs/dbraw/zinc/94/37/21/891943721.db2.gz HXWORCQMUPUVRU-WDEREUQCSA-N 0 3 289.376 -1.045 20 0 CAADHN CN(C)CCn1nccc1C(=O)N[C@@]1(C(N)=O)CCOC1 ZINC001452494675 891952026 /nfs/dbraw/zinc/95/20/26/891952026.db2.gz JLUXOIBWWONCGK-ZDUSSCGKSA-N 0 3 295.343 -1.181 20 0 CAADHN CC[C@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001452874047 891964477 /nfs/dbraw/zinc/96/44/77/891964477.db2.gz LAHDVAIZPIIUDZ-LPEHRKFASA-N 0 3 299.375 -1.371 20 0 CAADHN CCCN(C)CC(=O)NCC1(NC(=O)CNC(N)=O)CC1 ZINC001453486552 891976718 /nfs/dbraw/zinc/97/67/18/891976718.db2.gz BHELZENJFBQZFJ-UHFFFAOYSA-N 0 3 299.375 -1.239 20 0 CAADHN Nc1nnn(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)n1 ZINC001453746144 891983478 /nfs/dbraw/zinc/98/34/78/891983478.db2.gz YGJQHFGCDDHFPU-SNVBAGLBSA-N 0 3 295.347 -1.375 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001454644243 892011637 /nfs/dbraw/zinc/01/16/37/892011637.db2.gz CUWQWYFYBDVXPC-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN O=C(CCc1nc[nH]n1)NC[C@]1(CO)COCCN1 ZINC001454785345 892017761 /nfs/dbraw/zinc/01/77/61/892017761.db2.gz UOXMQQIMGOMOMZ-NSHDSACASA-N 0 3 269.305 -1.796 20 0 CAADHN C[C@H]1CN2CCN1C[C@H]2C(=O)N[C@H](CO)Cc1c[nH]cn1 ZINC001455030053 892023295 /nfs/dbraw/zinc/02/32/95/892023295.db2.gz ZXQNPQSHQONJGD-DRZSPHRISA-N 0 3 293.371 -1.182 20 0 CAADHN C[C@H]1CN2CCN1C[C@H]2C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001455030053 892023314 /nfs/dbraw/zinc/02/33/14/892023314.db2.gz ZXQNPQSHQONJGD-DRZSPHRISA-N 0 3 293.371 -1.182 20 0 CAADHN CCN(CC)CC(=O)N(C)CCNC(=O)Cn1cnnn1 ZINC001455144093 892027864 /nfs/dbraw/zinc/02/78/64/892027864.db2.gz GUOXJCNWRAHCKW-UHFFFAOYSA-N 0 3 297.363 -1.411 20 0 CAADHN Cc1nnc(CC(=O)NCCN(C)CCOCCO)o1 ZINC001455176161 892028456 /nfs/dbraw/zinc/02/84/56/892028456.db2.gz IEPSBAUWZDSMKR-UHFFFAOYSA-N 0 3 286.332 -1.023 20 0 CAADHN CN(CCNC(=O)C1(O)COC1)CCOCCO ZINC001455175829 892030938 /nfs/dbraw/zinc/03/09/38/892030938.db2.gz GYQIMOAVMURESD-UHFFFAOYSA-N 0 3 262.306 -2.195 20 0 CAADHN CN(CCNC(=O)CCNC(N)=O)C(=O)CN1CCCC1 ZINC001455232254 892032970 /nfs/dbraw/zinc/03/29/70/892032970.db2.gz DLJUAJJTCMVZJR-UHFFFAOYSA-N 0 3 299.375 -1.285 20 0 CAADHN Cc1nnc(CC(=O)NCCN(C)CCOCCO)[nH]1 ZINC001455180760 892034096 /nfs/dbraw/zinc/03/40/96/892034096.db2.gz WTADNTFISJPTOF-UHFFFAOYSA-N 0 3 285.348 -1.287 20 0 CAADHN CCn1cc(CC(=O)NCCN(C)CCO)nn1 ZINC001455782022 892057423 /nfs/dbraw/zinc/05/74/23/892057423.db2.gz PULRFWORMCGZBX-UHFFFAOYSA-N 0 3 255.322 -1.119 20 0 CAADHN C[C@@H]1[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CCN1C ZINC001455942602 892062151 /nfs/dbraw/zinc/06/21/51/892062151.db2.gz FRNKAMYQAHQCJS-HTQZYQBOSA-N 0 3 266.305 -1.414 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC001456261914 892068963 /nfs/dbraw/zinc/06/89/63/892068963.db2.gz JQPOSVJXHUQSBD-SNVBAGLBSA-N 0 3 298.343 -1.236 20 0 CAADHN O=C([C@H]1COC(=O)N1)N1CC(N[C@@H]2CCOC2)C1 ZINC001456305286 892069955 /nfs/dbraw/zinc/06/99/55/892069955.db2.gz RNDUORIKIQDGIK-VXNVDRBHSA-N 0 3 255.274 -1.316 20 0 CAADHN Cc1nn(CC(=O)N2CC(N[C@@H]3CCOC3)C2)c(=O)n1C ZINC001456307157 892070238 /nfs/dbraw/zinc/07/02/38/892070238.db2.gz WMODRZUIRZYJHB-SNVBAGLBSA-N 0 3 295.343 -1.520 20 0 CAADHN CN1C[C@H](C(=O)N2CC(N[C@@H]3CCOC3)C2)NC1=O ZINC001456297584 892070761 /nfs/dbraw/zinc/07/07/61/892070761.db2.gz BXFGLLNPSLZAQI-PSASIEDQSA-N 0 3 268.317 -1.401 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001456293520 892071043 /nfs/dbraw/zinc/07/10/43/892071043.db2.gz DRFDIXNKQSDQIN-SNVBAGLBSA-N 0 3 297.359 -1.665 20 0 CAADHN C[C@H](O)c1cn(CC(=O)N2CC(N[C@H]3CCOC3)C2)nn1 ZINC001456303862 892071251 /nfs/dbraw/zinc/07/12/51/892071251.db2.gz ZARIYQLQGINSTI-UWVGGRQHSA-N 0 3 295.343 -1.079 20 0 CAADHN C[C@@H](O)c1cn(CC(=O)N2CC(N[C@H]3CCOC3)C2)nn1 ZINC001456303870 892071980 /nfs/dbraw/zinc/07/19/80/892071980.db2.gz ZARIYQLQGINSTI-ZJUUUORDSA-N 0 3 295.343 -1.079 20 0 CAADHN Cc1nn(CC(=O)N2CC(N[C@H]3CCOC3)C2)c(=O)n1C ZINC001456307154 892072370 /nfs/dbraw/zinc/07/23/70/892072370.db2.gz WMODRZUIRZYJHB-JTQLQIEISA-N 0 3 295.343 -1.520 20 0 CAADHN CS(=O)(=O)CC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001456299870 892072952 /nfs/dbraw/zinc/07/29/52/892072952.db2.gz RKJAIWPMDYJSOZ-MRVPVSSYSA-N 0 3 262.331 -1.380 20 0 CAADHN O=C(C1=CCS(=O)(=O)C1)N1CC(N[C@H]2CCOC2)C1 ZINC001456298064 892073896 /nfs/dbraw/zinc/07/38/96/892073896.db2.gz DAQUQIHHGBAOKZ-JTQLQIEISA-N 0 3 286.353 -1.070 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001456359517 892076254 /nfs/dbraw/zinc/07/62/54/892076254.db2.gz UABNQSRZHQJLEQ-VIFPVBQESA-N 0 3 299.375 -1.288 20 0 CAADHN CN1CCN(CC(=O)N2CC(N[C@H]3CCOC3)C2)CC1 ZINC001458026532 892116039 /nfs/dbraw/zinc/11/60/39/892116039.db2.gz NXMUXZJPGXDNHX-LBPRGKRZSA-N 0 3 282.388 -1.177 20 0 CAADHN Nc1nc(N)nc(N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)n1 ZINC001458574547 892123894 /nfs/dbraw/zinc/12/38/94/892123894.db2.gz QETLQONOFJJRDJ-BQBZGAKWSA-N 0 3 284.345 -1.093 20 0 CAADHN CC(C)(O)[C@H](O)CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001460042215 892139774 /nfs/dbraw/zinc/13/97/74/892139774.db2.gz ZBUQXWWMJWIDIF-PRHODGIISA-N 0 3 271.317 -1.208 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CCN(CCO)[C@H](C)C1 ZINC001459994941 892141213 /nfs/dbraw/zinc/14/12/13/892141213.db2.gz MCWXLILJNKRLJV-PWSUYJOCSA-N 0 3 260.334 -1.091 20 0 CAADHN CC(C)(O)[C@H](O)CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001460042214 892141854 /nfs/dbraw/zinc/14/18/54/892141854.db2.gz ZBUQXWWMJWIDIF-PELKAZGASA-N 0 3 271.317 -1.208 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CCN(CCO)[C@@H](C)C1 ZINC001459994939 892142239 /nfs/dbraw/zinc/14/22/39/892142239.db2.gz MCWXLILJNKRLJV-JQWIXIFHSA-N 0 3 260.334 -1.091 20 0 CAADHN NC(=O)[C@@]1(NCCCN2C(=O)CNC2=O)CCOC1 ZINC001460308239 892144862 /nfs/dbraw/zinc/14/48/62/892144862.db2.gz HPWAJAFAQKBGTA-LLVKDONJSA-N 0 3 270.289 -1.838 20 0 CAADHN NS(=O)(=O)CCCN1CC[C@H](O)[C@H](CO)C1 ZINC001460255754 892145039 /nfs/dbraw/zinc/14/50/39/892145039.db2.gz OXMIEDKESLTROB-IUCAKERBSA-N 0 3 252.336 -1.660 20 0 CAADHN C[C@@H]1CN(CCO)CCN1C[C@@H](O)C1(O)CCOCC1 ZINC001460231663 892145314 /nfs/dbraw/zinc/14/53/14/892145314.db2.gz DCYIFKFQWDZZND-CHWSQXEVSA-N 0 3 288.388 -1.113 20 0 CAADHN Cc1nn(C)cc1CN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001460431944 892149083 /nfs/dbraw/zinc/14/90/83/892149083.db2.gz KFRJPUDJOMAFDC-AOOOYVTPSA-N 0 3 265.317 -1.253 20 0 CAADHN Cn1nnnc1CCN[C@H]1C(=O)NCC12CCOCC2 ZINC001460852006 892151603 /nfs/dbraw/zinc/15/16/03/892151603.db2.gz NTQLXWBVVBORCK-JTQLQIEISA-N 0 3 280.332 -1.363 20 0 CAADHN CNC(=O)CN1CCCN(C[C@H](O)C(C)(C)O)CC1 ZINC001460807318 892153670 /nfs/dbraw/zinc/15/36/70/892153670.db2.gz LYRZSRYHZLUHFY-NSHDSACASA-N 0 3 273.377 -1.128 20 0 CAADHN Nc1nnn(CC(=O)NCCN2CCCCC2)n1 ZINC001464161366 892181347 /nfs/dbraw/zinc/18/13/47/892181347.db2.gz TVXDQMKSMTYCBR-UHFFFAOYSA-N 0 3 253.310 -1.143 20 0 CAADHN NC(=O)CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC001464669944 892191331 /nfs/dbraw/zinc/19/13/31/892191331.db2.gz QJSOHORIECYSCC-SNVBAGLBSA-N 0 3 282.344 -1.198 20 0 CAADHN NC(=O)CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC001464669942 892191954 /nfs/dbraw/zinc/19/19/54/892191954.db2.gz QJSOHORIECYSCC-JTQLQIEISA-N 0 3 282.344 -1.198 20 0 CAADHN COCCN(C)CCNC(=O)COCC(=O)OC ZINC001464795193 892192575 /nfs/dbraw/zinc/19/25/75/892192575.db2.gz ZIFVPVIDSARHSE-UHFFFAOYSA-N 0 3 262.306 -1.130 20 0 CAADHN CCN1CCN([C@@H](C)CNC(=O)Cn2nnc(N)n2)CC1 ZINC001464897715 892197446 /nfs/dbraw/zinc/19/74/46/892197446.db2.gz ZKUNJUXTPISMLU-JTQLQIEISA-N 0 3 296.379 -1.603 20 0 CAADHN CC[C@@H](O)Cn1cc(C(=O)NC[C@]2(O)CCN(C)C2)nn1 ZINC001466682330 892231347 /nfs/dbraw/zinc/23/13/47/892231347.db2.gz JPWVHUIWJPSKNQ-ZWNOBZJWSA-N 0 3 297.359 -1.155 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)N[C@H]1CCCN(CCCO)C1 ZINC001468171685 892265158 /nfs/dbraw/zinc/26/51/58/892265158.db2.gz HWFIPOXLKJWZAI-UWVGGRQHSA-N 0 3 288.348 -2.021 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@H]3CC(=O)N3)C2)CC1 ZINC001468383358 892270217 /nfs/dbraw/zinc/27/02/17/892270217.db2.gz WVRXXWSEJHTNTG-LLVKDONJSA-N 0 3 266.345 -1.419 20 0 CAADHN CN1CCN(CC2CN(C(=O)CCn3cnnn3)C2)CC1 ZINC001468379980 892270332 /nfs/dbraw/zinc/27/03/32/892270332.db2.gz CAOMVTAHMIOSBP-UHFFFAOYSA-N 0 3 293.375 -1.231 20 0 CAADHN CN1CCN(CC2CN(C(=O)CCNC(N)=O)C2)CC1 ZINC001468380808 892272332 /nfs/dbraw/zinc/27/23/32/892272332.db2.gz NBHVQEQWKGRHIW-UHFFFAOYSA-N 0 3 283.376 -1.249 20 0 CAADHN Nc1ncn(CC(=O)N[C@@H](CO)CN2CCCC2)n1 ZINC001468608810 892273898 /nfs/dbraw/zinc/27/38/98/892273898.db2.gz XEOJDIUZGIKAGH-SECBINFHSA-N 0 3 268.321 -1.567 20 0 CAADHN CN(C)CCCCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001470805517 892334369 /nfs/dbraw/zinc/33/43/69/892334369.db2.gz HPZYHTNMEWJRLE-NXEZZACHSA-N 0 3 278.374 -1.008 20 0 CAADHN CN1C[C@@H](O)C[C@@]1(C)C(=O)NCc1n[nH]c(=O)n1C ZINC001469511192 892297697 /nfs/dbraw/zinc/29/76/97/892297697.db2.gz DZFUFDDHGWUQAB-CPCISQLKSA-N 0 3 269.305 -1.408 20 0 CAADHN CN1C[C@H](O)C[C@@]1(C)C(=O)NCc1n[nH]c(=O)n1C ZINC001469511193 892297886 /nfs/dbraw/zinc/29/78/86/892297886.db2.gz DZFUFDDHGWUQAB-HQJQHLMTSA-N 0 3 269.305 -1.408 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N[C@]1(C)CN2CCC1CC2)C(N)=O ZINC001469997059 892304067 /nfs/dbraw/zinc/30/40/67/892304067.db2.gz BLKSNVVLZBJQJS-SMDDNHRTSA-N 0 3 296.371 -1.033 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)NCCN1CC[C@H](O)C1 ZINC001470844961 892335340 /nfs/dbraw/zinc/33/53/40/892335340.db2.gz SGQRZNWDQHXCKV-DTWKUNHWSA-N 0 3 284.316 -1.843 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCN1CC[C@H](O)C1)C(N)=O ZINC001470844295 892339338 /nfs/dbraw/zinc/33/93/38/892339338.db2.gz HWEKEGSDHKYWLQ-UWVGGRQHSA-N 0 3 286.332 -2.451 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCC2N=NC(=O)N2C)C1 ZINC001471149439 892343587 /nfs/dbraw/zinc/34/35/87/892343587.db2.gz BNROLSWFQIZHEJ-NSHDSACASA-N 0 3 284.320 -1.614 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCC2N=NC(=O)N2C)C1 ZINC001471149434 892344729 /nfs/dbraw/zinc/34/47/29/892344729.db2.gz BNROLSWFQIZHEJ-LLVKDONJSA-N 0 3 284.320 -1.614 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001471641858 892364950 /nfs/dbraw/zinc/36/49/50/892364950.db2.gz YLEBYHBHMVNLEX-VHSXEESVSA-N 0 3 291.373 -1.797 20 0 CAADHN CN(C)CCn1nccc1C(=O)N1CC(CO)(CO)C1 ZINC001471784162 892368395 /nfs/dbraw/zinc/36/83/95/892368395.db2.gz VUDAUKVPAUXEPF-UHFFFAOYSA-N 0 3 282.344 -1.129 20 0 CAADHN CN(CCO)CCNC(=O)c1cn(C(F)(F)CO)nn1 ZINC001471868384 892376605 /nfs/dbraw/zinc/37/66/05/892376605.db2.gz XVLNDQCBZOFXRF-UHFFFAOYSA-N 0 3 293.274 -1.526 20 0 CAADHN O=C(Cn1cnnn1)N1CC(N[C@H]2CCOC2)C1 ZINC001472080925 892382444 /nfs/dbraw/zinc/38/24/44/892382444.db2.gz ZDKGFNRFRAKRFU-QMMMGPOBSA-N 0 3 252.278 -1.738 20 0 CAADHN CCN1C[C@@H](NC(=O)[C@H](CO)NC(N)=O)C(C)(C)C1 ZINC001472058051 892383043 /nfs/dbraw/zinc/38/30/43/892383043.db2.gz VBPDHUPWMHMBBC-DTWKUNHWSA-N 0 3 272.349 -1.138 20 0 CAADHN CCN1C[C@H](NC(=O)[C@H](CO)NC(N)=O)C(C)(C)C1 ZINC001472058054 892383647 /nfs/dbraw/zinc/38/36/47/892383647.db2.gz VBPDHUPWMHMBBC-IUCAKERBSA-N 0 3 272.349 -1.138 20 0 CAADHN O=C([C@@H]1CSCC(=O)N1)N1CC(N[C@@H]2CCOC2)C1 ZINC001472083112 892384531 /nfs/dbraw/zinc/38/45/31/892384531.db2.gz DNGFISSCZFCHGU-SCZZXKLOSA-N 0 3 285.369 -1.193 20 0 CAADHN O=C([C@@H]1CSCC(=O)N1)N1CC(N[C@H]2CCOC2)C1 ZINC001472083113 892384708 /nfs/dbraw/zinc/38/47/08/892384708.db2.gz DNGFISSCZFCHGU-WPRPVWTQSA-N 0 3 285.369 -1.193 20 0 CAADHN CN1C[C@@H](NC(=O)Cn2nnc(N)n2)C(C)(C)C1 ZINC001472028758 892385058 /nfs/dbraw/zinc/38/50/58/892385058.db2.gz GEMRWFPSYKCBJY-SSDOTTSWSA-N 0 3 253.310 -1.288 20 0 CAADHN NC(=O)c1ncn(CC(=O)N2CC(N[C@H]3CCOC3)C2)n1 ZINC001472083485 892385117 /nfs/dbraw/zinc/38/51/17/892385117.db2.gz LSLHVYMJIMSTAY-QMMMGPOBSA-N 0 3 294.315 -2.034 20 0 CAADHN Nc1ncn(CC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)n1 ZINC001472260173 892395666 /nfs/dbraw/zinc/39/56/66/892395666.db2.gz YJGULABOSSDFCC-WDEREUQCSA-N 0 3 294.359 -1.082 20 0 CAADHN C[C@@H]1CN(c2nc(N)nc(N)n2)CCS1(=O)=O ZINC001472854960 892406382 /nfs/dbraw/zinc/40/63/82/892406382.db2.gz MOXPUGLBSFUCDG-RXMQYKEDSA-N 0 3 258.307 -1.341 20 0 CAADHN C[C@]12CN(c3nc(N)nc(N)n3)C[C@H]1CS(=O)(=O)C2 ZINC001472895196 892406587 /nfs/dbraw/zinc/40/65/87/892406587.db2.gz UHBYPJBUZPMTJG-QUBYGPBYSA-N 0 3 284.345 -1.093 20 0 CAADHN NC(=O)N[C@H]1CCN(C[C@H](O)C2(O)CCOCC2)C1 ZINC001473349204 892413501 /nfs/dbraw/zinc/41/35/01/892413501.db2.gz SNVSDFZHHWEHFK-UWVGGRQHSA-N 0 3 273.333 -1.369 20 0 CAADHN C[C@H]1CN(C[C@@H](O)C2(O)CCOCC2)CCN1CCO ZINC001473411907 892414083 /nfs/dbraw/zinc/41/40/83/892414083.db2.gz JJRZYXBKQDAEGD-QWHCGFSZSA-N 0 3 288.388 -1.113 20 0 CAADHN CC(=O)[C@@](C)(O)CN(C)C[C@@H](O)CN1CCOCC1 ZINC001473215301 892414312 /nfs/dbraw/zinc/41/43/12/892414312.db2.gz JHNRPEBDBYZDNP-OLZOCXBDSA-N 0 3 274.361 -1.049 20 0 CAADHN CC(=O)[C@@](C)(O)CN(C)C[C@H](O)CN1CCOCC1 ZINC001473215303 892414346 /nfs/dbraw/zinc/41/43/46/892414346.db2.gz JHNRPEBDBYZDNP-STQMWFEESA-N 0 3 274.361 -1.049 20 0 CAADHN CC(=O)[C@](C)(O)CN(C)C[C@@H](O)CN1CCOCC1 ZINC001473215300 892415295 /nfs/dbraw/zinc/41/52/95/892415295.db2.gz JHNRPEBDBYZDNP-CHWSQXEVSA-N 0 3 274.361 -1.049 20 0 CAADHN NC(=O)C1(O)CCN(C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001473469056 892417791 /nfs/dbraw/zinc/41/77/91/892417791.db2.gz PMOYEASJPNHQKK-ZYHUDNBSSA-N 0 3 288.344 -1.799 20 0 CAADHN OC[C@@H]1CN(C[C@H](O)CC2(O)CCOCC2)C[C@@H]1O ZINC001473538637 892418260 /nfs/dbraw/zinc/41/82/60/892418260.db2.gz UVJVRFXGOUIMEF-TUAOUCFPSA-N 0 3 275.345 -1.436 20 0 CAADHN C[C@@H]1CN(CCNS(C)(=O)=O)C[C@H](C)N1CCO ZINC001473479513 892418797 /nfs/dbraw/zinc/41/87/97/892418797.db2.gz UCEJZQFAKHZBNQ-PHIMTYICSA-N 0 3 279.406 -1.078 20 0 CAADHN NC(=O)[C@@H]1CN([C@H]2CCN(C3CC3)C2=O)C[C@H]1C(N)=O ZINC001473643371 892421863 /nfs/dbraw/zinc/42/18/63/892421863.db2.gz REEKPGZNYQGNPZ-BBBLOLIVSA-N 0 3 280.328 -1.732 20 0 CAADHN NC(=O)C1(NC[C@@H](O)C[C@]2(O)CCOC2)CCOCC1 ZINC001473624547 892422321 /nfs/dbraw/zinc/42/23/21/892422321.db2.gz BTKHLPQLTUMAQJ-CMPLNLGQSA-N 0 3 288.344 -1.487 20 0 CAADHN NC(=O)C1(NC[C@H](O)C[C@@]2(O)CCOC2)CCOCC1 ZINC001473624549 892423385 /nfs/dbraw/zinc/42/33/85/892423385.db2.gz BTKHLPQLTUMAQJ-PWSUYJOCSA-N 0 3 288.344 -1.487 20 0 CAADHN NC(=O)[C@H]1CN([C@H]2CCN(C3CC3)C2=O)C[C@H]1C(N)=O ZINC001473643367 892423447 /nfs/dbraw/zinc/42/34/47/892423447.db2.gz REEKPGZNYQGNPZ-AEJSXWLSSA-N 0 3 280.328 -1.732 20 0 CAADHN OCC1(O)CCN(C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001473626124 892423866 /nfs/dbraw/zinc/42/38/66/892423866.db2.gz ICMVITBZLBKMFM-WCQYABFASA-N 0 3 275.345 -1.292 20 0 CAADHN CC(C)(O)[C@H](O)CN1CC[C@H](CNS(C)(=O)=O)C1 ZINC001473777799 892425606 /nfs/dbraw/zinc/42/56/06/892425606.db2.gz YNVSHLDFPRCEJO-NXEZZACHSA-N 0 3 280.390 -1.011 20 0 CAADHN C[C@H](O)[C@H](O)CN1CC[C@H](CNS(C)(=O)=O)C1 ZINC001473777142 892427074 /nfs/dbraw/zinc/42/70/74/892427074.db2.gz XHCYSNXWFJPYIF-IVZWLZJFSA-N 0 3 266.363 -1.401 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CC[C@H](CNS(C)(=O)=O)C1 ZINC001473777138 892427526 /nfs/dbraw/zinc/42/75/26/892427526.db2.gz XHCYSNXWFJPYIF-AEJSXWLSSA-N 0 3 266.363 -1.401 20 0 CAADHN CC[C@@H](CO)[NH2+]Cc1nc2c([n-]1)n(C)c(=O)n(C)c2=O ZINC001473801319 892427721 /nfs/dbraw/zinc/42/77/21/892427721.db2.gz FHYFOCXXCIOFSA-ZETCQYMHSA-N 0 3 281.316 -1.179 20 0 CAADHN NC(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ncn[nH]1 ZINC001474191435 892430621 /nfs/dbraw/zinc/43/06/21/892430621.db2.gz PGFCILZCZKSEDE-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN CNC(=O)NC(=O)CCN[C@H]1C(=O)NCC12CCOCC2 ZINC001473830982 892431367 /nfs/dbraw/zinc/43/13/67/892431367.db2.gz UJIFYPHWTDVUEW-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN NS(=O)(=O)C[C@@H]1CCN(CCOCCO)C1 ZINC001473850742 892432217 /nfs/dbraw/zinc/43/22/17/892432217.db2.gz VJAXSHDRCYYWTN-SECBINFHSA-N 0 3 252.336 -1.394 20 0 CAADHN CCn1nccc1CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001474650752 892434067 /nfs/dbraw/zinc/43/40/67/892434067.db2.gz XTCJWRNIOQEOPP-NXEZZACHSA-N 0 3 265.317 -1.078 20 0 CAADHN CCn1nccc1CN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001474650751 892435449 /nfs/dbraw/zinc/43/54/49/892435449.db2.gz XTCJWRNIOQEOPP-AOOOYVTPSA-N 0 3 265.317 -1.078 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)NC1CC1 ZINC001479100224 892465894 /nfs/dbraw/zinc/46/58/94/892465894.db2.gz YWXBMGULZGBBSE-NQMVMOMDSA-N 0 3 282.344 -1.425 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 ZINC001478982740 892466051 /nfs/dbraw/zinc/46/60/51/892466051.db2.gz KJKKTWFWIKBRPI-KBVBSXBZSA-N 0 3 270.333 -1.384 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@H]2C[C@H](C(N)=O)C2)C1 ZINC001478982736 892466163 /nfs/dbraw/zinc/46/61/63/892466163.db2.gz KJKKTWFWIKBRPI-AUTRQRHGSA-N 0 3 270.333 -1.384 20 0 CAADHN CS(=O)(=O)CCN[C@H]1C[C@@H](CNC(=O)CC(N)=O)C1 ZINC001479287134 892471512 /nfs/dbraw/zinc/47/15/12/892471512.db2.gz RCAYJDHWKAFIGT-DTORHVGOSA-N 0 3 291.373 -1.609 20 0 CAADHN CN(C[C@@H]1CCN1C[C@H]1CCNC(=O)CC1)C(=O)C(N)=O ZINC001479241492 892471574 /nfs/dbraw/zinc/47/15/74/892471574.db2.gz CRQZCWHGXZPEPA-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C[C@@H]1CCN1C[C@@H]1CCNC(=O)CC1)C(=O)C(N)=O ZINC001479241494 892471828 /nfs/dbraw/zinc/47/18/28/892471828.db2.gz CRQZCWHGXZPEPA-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C[C@H]1CCN1C[C@H]1CCNC(=O)CC1)C(=O)C(N)=O ZINC001479241488 892473230 /nfs/dbraw/zinc/47/32/30/892473230.db2.gz CRQZCWHGXZPEPA-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C[C@H]1CCN1C[C@@H]1CCNC(=O)CC1)C(=O)C(N)=O ZINC001479241496 892473400 /nfs/dbraw/zinc/47/34/00/892473400.db2.gz CRQZCWHGXZPEPA-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H]1CCN(C[C@@H](C)O)[C@@H]1C ZINC001479727971 892477617 /nfs/dbraw/zinc/47/76/17/892477617.db2.gz VMKIOOJWVMLHQL-BBBLOLIVSA-N 0 3 293.389 -1.505 20 0 CAADHN CCN(CCO)CCNC(=O)NCCCc1nnnn1C ZINC001479553463 892477706 /nfs/dbraw/zinc/47/77/06/892477706.db2.gz SPLRHCZCAGKSFO-UHFFFAOYSA-N 0 3 299.379 -1.244 20 0 CAADHN CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C(N)=O)n1 ZINC001479607595 892477893 /nfs/dbraw/zinc/47/78/93/892477893.db2.gz VYSJFXYPBRQKLI-UHFFFAOYSA-N 0 3 253.262 -1.607 20 0 CAADHN CN(CCCNC(=O)[C@H]1CN(C)CCO1)[C@H]1CCNC1=O ZINC001479763553 892481527 /nfs/dbraw/zinc/48/15/27/892481527.db2.gz LSYSAKDSMDONGQ-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CCNC(=O)CN(C)CCCNC(=O)c1nnc[nH]1 ZINC001479803126 892483883 /nfs/dbraw/zinc/48/38/83/892483883.db2.gz HGQPBYGNHSXXHV-UHFFFAOYSA-N 0 3 268.321 -1.008 20 0 CAADHN CCN(CCCNC(=O)C1(C(N)=O)CC1)[C@H](C)C(N)=O ZINC001479853215 892485584 /nfs/dbraw/zinc/48/55/84/892485584.db2.gz GEFGLQXPUYDEEQ-SECBINFHSA-N 0 3 284.360 -1.046 20 0 CAADHN CCN(CCCNC(=O)C1(C(N)=O)CC1)[C@@H](C)C(N)=O ZINC001479853216 892485745 /nfs/dbraw/zinc/48/57/45/892485745.db2.gz GEFGLQXPUYDEEQ-VIFPVBQESA-N 0 3 284.360 -1.046 20 0 CAADHN CCN(CCCNC(=O)[C@@H]1CNC(=O)N1)[C@@H](C)C(N)=O ZINC001479852412 892486124 /nfs/dbraw/zinc/48/61/24/892486124.db2.gz HYUFNLSZXXQYCO-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CC[C@H](C(N)=O)N(CCCNC(=O)C(N)=O)C1CC1 ZINC001479874883 892486814 /nfs/dbraw/zinc/48/68/14/892486814.db2.gz GNEBQLKCHMRDEC-SECBINFHSA-N 0 3 270.333 -1.294 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)C(N)=O ZINC001479829369 892487015 /nfs/dbraw/zinc/48/70/15/892487015.db2.gz MRUKAEIHWNHMLC-YUMQZZPRSA-N 0 3 256.306 -1.684 20 0 CAADHN CCN(CCCNC(=O)C(N)=O)[C@@H](C)C(=O)N(C)C ZINC001479853112 892487381 /nfs/dbraw/zinc/48/73/81/892487381.db2.gz BPRQZPREYDDEIQ-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN CN1CC[C@@H](N(CCCNC(=O)C(N)=O)C2CC2)C1=O ZINC001479875287 892487810 /nfs/dbraw/zinc/48/78/10/892487810.db2.gz SQWRMRLQXHBMGB-SNVBAGLBSA-N 0 3 282.344 -1.327 20 0 CAADHN O=C(CCn1ccnn1)N[C@H]1CCN(CCO)C1 ZINC001479951173 892489592 /nfs/dbraw/zinc/48/95/92/892489592.db2.gz CRVZMNBQLQESAO-JTQLQIEISA-N 0 3 253.306 -1.149 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001480021331 892493380 /nfs/dbraw/zinc/49/33/80/892493380.db2.gz OHCDBFZNIYKASH-VIFPVBQESA-N 0 3 281.320 -2.097 20 0 CAADHN CC[C@@]1(C(=O)NC[C@H](NCC(N)=O)C2CC2)CCNC1=O ZINC001480029070 892493715 /nfs/dbraw/zinc/49/37/15/892493715.db2.gz ZKYQQDKOCCSAQF-IINYFYTJSA-N 0 3 296.371 -1.128 20 0 CAADHN CNC(=O)[C@@H](C)N1CCC2(C[C@@H]2NC(=O)CC(N)=O)CC1 ZINC001479977918 892493932 /nfs/dbraw/zinc/49/39/32/892493932.db2.gz IQWNMVDXLWCBRL-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CCn1cncn1)C1CC1 ZINC001480004219 892494072 /nfs/dbraw/zinc/49/40/72/892494072.db2.gz WPNRLIUYHPNYKD-NSHDSACASA-N 0 3 294.359 -1.101 20 0 CAADHN CN1CC[C@H](N[C@H](CNC(=O)CC(N)=O)C2CC2)C1=O ZINC001480009847 892494118 /nfs/dbraw/zinc/49/41/18/892494118.db2.gz DJPXUHQUZPBCIW-VHSXEESVSA-N 0 3 282.344 -1.423 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001480016533 892494164 /nfs/dbraw/zinc/49/41/64/892494164.db2.gz DZUGNGZHALIKFR-GXSJLCMTSA-N 0 3 257.334 -1.027 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@H]1COCCO1)C1CC1 ZINC001480005684 892494208 /nfs/dbraw/zinc/49/42/08/892494208.db2.gz UYBLXFGFNYOLMM-VHSXEESVSA-N 0 3 271.317 -1.629 20 0 CAADHN CC(C)NC(=O)CN[C@@H](CNC(=O)CC(N)=O)C1CC1 ZINC001480010850 892495056 /nfs/dbraw/zinc/49/50/56/892495056.db2.gz QCJUHQXHOGMGGI-JTQLQIEISA-N 0 3 284.360 -1.129 20 0 CAADHN Cn1ccc(CC(=O)NC[C@@H](NCC(N)=O)C2CC2)n1 ZINC001480019306 892495267 /nfs/dbraw/zinc/49/52/67/892495267.db2.gz CUBHYIPDOOAYAS-LLVKDONJSA-N 0 3 279.344 -1.068 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C(C)(C)C(N)=O)C1CC1 ZINC001480025778 892495816 /nfs/dbraw/zinc/49/58/16/892495816.db2.gz FAEQQFLIDACGCN-SECBINFHSA-N 0 3 284.360 -1.272 20 0 CAADHN CC(C)NC(=O)CN[C@H](CNC(=O)CC(N)=O)C1CC1 ZINC001480010851 892495903 /nfs/dbraw/zinc/49/59/03/892495903.db2.gz QCJUHQXHOGMGGI-SNVBAGLBSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)C(=O)NCC1CC1)C1CC1)C(N)=O ZINC001480054924 892496909 /nfs/dbraw/zinc/49/69/09/892496909.db2.gz GREGLQDBSVSZMY-KWQFWETISA-N 0 3 296.371 -1.129 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001480039281 892496929 /nfs/dbraw/zinc/49/69/29/892496929.db2.gz ZSIPLQIUWPXSCW-ZJUUUORDSA-N 0 3 282.344 -1.647 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CCC(=O)NC1 ZINC001480039772 892497099 /nfs/dbraw/zinc/49/70/99/892497099.db2.gz BDEUZOLBQMVOKV-YGRLFVJLSA-N 0 3 296.371 -1.128 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](N[C@@H]2CCNC2=O)C2CC2)n1 ZINC001480054092 892497470 /nfs/dbraw/zinc/49/74/70/892497470.db2.gz SUGUBDJWYPAOFD-NXEZZACHSA-N 0 3 292.343 -1.198 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001480039279 892497730 /nfs/dbraw/zinc/49/77/30/892497730.db2.gz ZSIPLQIUWPXSCW-UWVGGRQHSA-N 0 3 282.344 -1.647 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)C1CC1 ZINC001480068958 892497805 /nfs/dbraw/zinc/49/78/05/892497805.db2.gz VOPKOKUQQKEILU-IUCAKERBSA-N 0 3 296.327 -1.991 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001480045314 892497940 /nfs/dbraw/zinc/49/79/40/892497940.db2.gz VNPYWCMYVVURDO-WPRPVWTQSA-N 0 3 284.360 -1.129 20 0 CAADHN NC(=O)C(=O)NC[C@H](NCC(=O)N1CCCC1)C1CC1 ZINC001480042815 892497954 /nfs/dbraw/zinc/49/79/54/892497954.db2.gz HRNNYCMPMWZJJT-JTQLQIEISA-N 0 3 282.344 -1.422 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001480046843 892497966 /nfs/dbraw/zinc/49/79/66/892497966.db2.gz HYNXEOHXOQOXJV-VWYCJHECSA-N 0 3 296.371 -1.320 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001480108908 892498028 /nfs/dbraw/zinc/49/80/28/892498028.db2.gz VPPAQEBPGHCDSW-GUBZILKMSA-N 0 3 297.359 -1.536 20 0 CAADHN NC(=O)C1(C(=O)NC[C@@H](N[C@H]2CCNC2=O)C2CC2)CC1 ZINC001480043029 892498144 /nfs/dbraw/zinc/49/81/44/892498144.db2.gz IWAURDXDCWGODQ-VHSXEESVSA-N 0 3 294.355 -1.375 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001480111559 892498158 /nfs/dbraw/zinc/49/81/58/892498158.db2.gz BDZDWKFVQRATCK-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CNC(=O)c1nnn(C)n1)C1CC1 ZINC001480041572 892498196 /nfs/dbraw/zinc/49/81/96/892498196.db2.gz YSPXMWXHBIDGBI-VXNVDRBHSA-N 0 3 295.347 -1.557 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001480054663 892498252 /nfs/dbraw/zinc/49/82/52/892498252.db2.gz ZZTNURCKWKWQPC-SNVBAGLBSA-N 0 3 284.360 -1.129 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)COCCOC)C1 ZINC001480107304 892498462 /nfs/dbraw/zinc/49/84/62/892498462.db2.gz RCYJPYYHVRAOBI-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001480042724 892498543 /nfs/dbraw/zinc/49/85/43/892498543.db2.gz JKSHCTWEEQEWAO-VIFPVBQESA-N 0 3 293.327 -1.386 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001480107132 892498728 /nfs/dbraw/zinc/49/87/28/892498728.db2.gz HACITMHGCIQDKY-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN NC(=O)C1(C(=O)NC[C@@H](N[C@@H]2CCNC2=O)C2CC2)CC1 ZINC001480043023 892498762 /nfs/dbraw/zinc/49/87/62/892498762.db2.gz IWAURDXDCWGODQ-NXEZZACHSA-N 0 3 294.355 -1.375 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](NCC(N)=O)C2CC2)CCC1 ZINC001480056616 892498890 /nfs/dbraw/zinc/49/88/90/892498890.db2.gz DTUIGQAANAMWQA-JTQLQIEISA-N 0 3 296.371 -1.128 20 0 CAADHN CCN1C[C@H](C(=O)N2CC[C@H](NCC(=O)NC)C2)CC1=O ZINC001480110949 892498957 /nfs/dbraw/zinc/49/89/57/892498957.db2.gz MVAPCGTYEGNAPZ-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CC(N)=O)C1)C(=O)N(C)C ZINC001480107391 892498993 /nfs/dbraw/zinc/49/89/93/892498993.db2.gz XTTGBPYOGBCINQ-BDAKNGLRSA-N 0 3 270.333 -1.471 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001480114603 892501354 /nfs/dbraw/zinc/50/13/54/892501354.db2.gz AIMZNHDBCXMHBH-DTWKUNHWSA-N 0 3 268.317 -1.941 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001480123106 892501425 /nfs/dbraw/zinc/50/14/25/892501425.db2.gz WWMYNFFKXUSIBI-VIFPVBQESA-N 0 3 294.315 -1.732 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001480117692 892502018 /nfs/dbraw/zinc/50/20/18/892502018.db2.gz TUBZIPIPFXWCHP-AXFHLTTASA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](N[C@H]1C[C@@H](NC(=O)CCS(C)(=O)=O)C1)C(N)=O ZINC001480212053 892506635 /nfs/dbraw/zinc/50/66/35/892506635.db2.gz ZELTUZIBMYOEDR-HLTSFMKQSA-N 0 3 291.373 -1.468 20 0 CAADHN Cc1nc(CC(=O)NC[C@@H]2CCCN(CC(N)=O)C2)n[nH]1 ZINC001480252544 892508113 /nfs/dbraw/zinc/50/81/13/892508113.db2.gz MYVOGEQCDBYGDA-JTQLQIEISA-N 0 3 294.359 -1.031 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001480414727 892510701 /nfs/dbraw/zinc/51/07/01/892510701.db2.gz BAIJFNHHZBVIES-QMMMGPOBSA-N 0 3 258.322 -1.695 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001480393389 892511109 /nfs/dbraw/zinc/51/11/09/892511109.db2.gz JIADUBHUALCRCW-DSPMHBFJSA-N 0 3 294.355 -1.567 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C1CC1 ZINC001480413694 892511128 /nfs/dbraw/zinc/51/11/28/892511128.db2.gz OZCOZTGCXSHKSH-ZETCQYMHSA-N 0 3 256.306 -1.054 20 0 CAADHN CO[C@H](C)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001480389551 892511971 /nfs/dbraw/zinc/51/19/71/892511971.db2.gz CCHSOWSDXOUVEI-GPTQDWHKSA-N 0 3 295.339 -1.127 20 0 CAADHN CO[C@@H](C)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001480389549 892512178 /nfs/dbraw/zinc/51/21/78/892512178.db2.gz CCHSOWSDXOUVEI-GOVZDWNOSA-N 0 3 295.339 -1.127 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CNC(=O)OC)C(N)=O ZINC001480431554 892513679 /nfs/dbraw/zinc/51/36/79/892513679.db2.gz YHPXGQKRSZPKRP-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CNC(=O)OC)C(N)=O ZINC001480431556 892513737 /nfs/dbraw/zinc/51/37/37/892513737.db2.gz YHPXGQKRSZPKRP-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001480417455 892513982 /nfs/dbraw/zinc/51/39/82/892513982.db2.gz WGZMPRLETDDIEH-IONNQARKSA-N 0 3 284.316 -1.978 20 0 CAADHN CCN1CC[C@H](N[C@H](C)CNC(=O)CC(N)=O)C1=O ZINC001480437553 892514045 /nfs/dbraw/zinc/51/40/45/892514045.db2.gz BCSJKCIAYZDVBC-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCN1CC[C@@H](N[C@H](C)CNC(=O)CC(N)=O)C1=O ZINC001480437556 892514377 /nfs/dbraw/zinc/51/43/77/892514377.db2.gz BCSJKCIAYZDVBC-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CNC(C)=O ZINC001480415731 892514557 /nfs/dbraw/zinc/51/45/57/892514557.db2.gz IQGCZHLMSCLHOY-HTQZYQBOSA-N 0 3 258.322 -1.649 20 0 CAADHN Cc1cnn(CC(=O)NC[C@@H](C)NCC(N)=O)c1 ZINC001480431368 892514869 /nfs/dbraw/zinc/51/48/69/892514869.db2.gz AMKHHXNIWNLADM-SECBINFHSA-N 0 3 253.306 -1.229 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCC(=O)NC1=O ZINC001480417451 892514894 /nfs/dbraw/zinc/51/48/94/892514894.db2.gz WGZMPRLETDDIEH-APPZFPTMSA-N 0 3 284.316 -1.978 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)COC(C)C ZINC001480435228 892515082 /nfs/dbraw/zinc/51/50/82/892515082.db2.gz RFLQJNSHLFUXBA-VIFPVBQESA-N 0 3 288.348 -1.039 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)NCCS(C)(=O)=O ZINC001480417398 892515155 /nfs/dbraw/zinc/51/51/55/892515155.db2.gz VMTZICONKQKOPQ-QMMMGPOBSA-N 0 3 279.362 -1.739 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H](C)OC ZINC001480434785 892515207 /nfs/dbraw/zinc/51/52/07/892515207.db2.gz YVTPOEADNJDXQP-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H](C)OC ZINC001480434783 892515387 /nfs/dbraw/zinc/51/53/87/892515387.db2.gz YVTPOEADNJDXQP-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CN(C)C(C)=O)C(N)=O ZINC001480428216 892515424 /nfs/dbraw/zinc/51/54/24/892515424.db2.gz CGPWIAOERRWMMV-PSASIEDQSA-N 0 3 272.349 -1.177 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@H](CC)C(N)=O ZINC001480435588 892515474 /nfs/dbraw/zinc/51/54/74/892515474.db2.gz HQURBAVNRRUHBF-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ccn[nH]1 ZINC001480428457 892515495 /nfs/dbraw/zinc/51/54/95/892515495.db2.gz FOBAHMHCSQJRCX-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ccn[nH]1 ZINC001480428455 892516229 /nfs/dbraw/zinc/51/62/29/892516229.db2.gz FOBAHMHCSQJRCX-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@@H](CC)C(N)=O ZINC001480435586 892516270 /nfs/dbraw/zinc/51/62/70/892516270.db2.gz HQURBAVNRRUHBF-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CS(C)(=O)=O)C(=O)N(C)C ZINC001480431769 892516307 /nfs/dbraw/zinc/51/63/07/892516307.db2.gz COKTYDSVDYKXSY-DTWKUNHWSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](CNC(=O)CC(N)=O)N[C@@H]1CCC(=O)NC1=O ZINC001480440597 892517247 /nfs/dbraw/zinc/51/72/47/892517247.db2.gz WDQHMQUPXRHVOA-RNFRBKRXSA-N 0 3 270.289 -2.239 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001480456515 892517334 /nfs/dbraw/zinc/51/73/34/892517334.db2.gz RTJGWTMUQQNYGJ-HTQZYQBOSA-N 0 3 273.337 -1.726 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)c1cnn(C)c1N)C(N)=O ZINC001480447445 892518361 /nfs/dbraw/zinc/51/83/61/892518361.db2.gz GASACGRXGPFTSK-VXNVDRBHSA-N 0 3 282.348 -1.026 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)c1cnn(C)c1N)C(N)=O ZINC001480447442 892518464 /nfs/dbraw/zinc/51/84/64/892518464.db2.gz GASACGRXGPFTSK-APPZFPTMSA-N 0 3 282.348 -1.026 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1ncc[nH]1 ZINC001480457444 892518869 /nfs/dbraw/zinc/51/88/69/892518869.db2.gz LHBABZSJCUMITR-JGVFFNPUSA-N 0 3 296.331 -1.038 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCCNC1=O ZINC001480437847 892518957 /nfs/dbraw/zinc/51/89/57/892518957.db2.gz JRWWYVPMEPYZGW-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN COc1cc(C(=O)NC[C@H](C)NCC(N)=O)on1 ZINC001480449752 892519013 /nfs/dbraw/zinc/51/90/13/892519013.db2.gz SKBYNXQIUQLJPV-LURJTMIESA-N 0 3 256.262 -1.124 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](C)N[C@@H]2CCNC2=O)n1 ZINC001480457029 892519032 /nfs/dbraw/zinc/51/90/32/892519032.db2.gz VZMALVHERTZTIP-RKDXNWHRSA-N 0 3 280.332 -1.106 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](C)N[C@H]2CCNC2=O)n1 ZINC001480457024 892519054 /nfs/dbraw/zinc/51/90/54/892519054.db2.gz VZMALVHERTZTIP-BDAKNGLRSA-N 0 3 280.332 -1.106 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cnnn1C ZINC001480454830 892519330 /nfs/dbraw/zinc/51/93/30/892519330.db2.gz XQZQQFDQWCIFBM-HTQZYQBOSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@H](CNC(=O)CC(N)=O)N[C@H]1CCC(=O)NC1=O ZINC001480440598 892519384 /nfs/dbraw/zinc/51/93/84/892519384.db2.gz WDQHMQUPXRHVOA-RQJHMYQMSA-N 0 3 270.289 -2.239 20 0 CAADHN C[C@H](CNC(=O)c1cnnn1C)NCC(=O)N1CCC1 ZINC001480454749 892519510 /nfs/dbraw/zinc/51/95/10/892519510.db2.gz WIPINYPTGUVWED-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H](CNC(=O)c1cnnn1C)N[C@@H]1CCNC1=O ZINC001480455609 892519560 /nfs/dbraw/zinc/51/95/60/892519560.db2.gz WLYNGDSZASUYPH-HTQZYQBOSA-N 0 3 266.305 -1.589 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001480453195 892519654 /nfs/dbraw/zinc/51/96/54/892519654.db2.gz APTJUGOWVZZUFZ-SFYZADRCSA-N 0 3 268.321 -1.213 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1ncc[nH]1 ZINC001480457446 892519748 /nfs/dbraw/zinc/51/97/48/892519748.db2.gz LHBABZSJCUMITR-YUMQZZPRSA-N 0 3 296.331 -1.038 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](C)NCC(=O)N(C)C)C1 ZINC001480453588 892520098 /nfs/dbraw/zinc/52/00/98/892520098.db2.gz VSBSZSKZDWJJNQ-SECBINFHSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N[C@@H]1CCCNC1=O ZINC001480454587 892519824 /nfs/dbraw/zinc/51/98/24/892519824.db2.gz LMVONBNHJLCABN-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001480454446 892519902 /nfs/dbraw/zinc/51/99/02/892519902.db2.gz SYFWSBGNJUXOMX-DTWKUNHWSA-N 0 3 286.332 -1.285 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001480454450 892520273 /nfs/dbraw/zinc/52/02/73/892520273.db2.gz SYFWSBGNJUXOMX-IUCAKERBSA-N 0 3 286.332 -1.285 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1ncc[nH]1 ZINC001480457443 892520300 /nfs/dbraw/zinc/52/03/00/892520300.db2.gz LHBABZSJCUMITR-HTQZYQBOSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@H](CNC(=O)c1cnc2n1CCOC2)NCC(N)=O ZINC001480481528 892521181 /nfs/dbraw/zinc/52/11/81/892521181.db2.gz MPVFXDDIQRZKGD-MRVPVSSYSA-N 0 3 281.316 -1.394 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)Cc1ccn(C)n1 ZINC001480460197 892521376 /nfs/dbraw/zinc/52/13/76/892521376.db2.gz TWESRFATSRCMEM-SECBINFHSA-N 0 3 267.333 -1.197 20 0 CAADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N[C@H](C)C(N)=O ZINC001480481119 892521445 /nfs/dbraw/zinc/52/14/45/892521445.db2.gz VJKQBXXDZSGUCJ-HTQZYQBOSA-N 0 3 281.316 -1.638 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCN(C)C1=O ZINC001480471203 892521671 /nfs/dbraw/zinc/52/16/71/892521671.db2.gz BPTSQPGOKSWDTD-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)COCc1nccn1C ZINC001480483605 892521778 /nfs/dbraw/zinc/52/17/78/892521778.db2.gz JQIFVCQRSBFLQR-JTQLQIEISA-N 0 3 297.359 -1.223 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1[nH]c(=O)[nH]c1C ZINC001480479427 892522292 /nfs/dbraw/zinc/52/22/92/892522292.db2.gz DOBSOWMWIRNPEV-ZCFIWIBFSA-N 0 3 269.305 -1.122 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCNC1=O)NCC(N)=O ZINC001480481314 892522319 /nfs/dbraw/zinc/52/23/19/892522319.db2.gz LMMASNLJFFHFBX-SFYZADRCSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)NCc1ccnn1C ZINC001480462299 892522545 /nfs/dbraw/zinc/52/25/45/892522545.db2.gz TVBGHPICFFUGGO-VIFPVBQESA-N 0 3 278.320 -1.299 20 0 CAADHN CC(C)CNC(=O)CN[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001480460797 892522711 /nfs/dbraw/zinc/52/27/11/892522711.db2.gz BBHMXQRARQAGNT-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)C(N)=O)NCC(=O)N1CCC1 ZINC001480482289 892522896 /nfs/dbraw/zinc/52/28/96/892522896.db2.gz UTNKQVCRVTZFON-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001480471201 892522967 /nfs/dbraw/zinc/52/29/67/892522967.db2.gz BPTSQPGOKSWDTD-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H](CNC(=O)C1CS(=O)(=O)C1)N[C@H]1CCNC1=O ZINC001480466105 892523055 /nfs/dbraw/zinc/52/30/55/892523055.db2.gz NNMYHWRIKUUXKQ-CBAPKCEASA-N 0 3 289.357 -1.986 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1 ZINC001480471295 892523140 /nfs/dbraw/zinc/52/31/40/892523140.db2.gz DCPUCADBOLBGGF-SECBINFHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CNC(=O)C1CS(=O)(=O)C1)N[C@@H]1CCNC1=O ZINC001480466107 892523444 /nfs/dbraw/zinc/52/34/44/892523444.db2.gz NNMYHWRIKUUXKQ-VXNVDRBHSA-N 0 3 289.357 -1.986 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001480466777 892523490 /nfs/dbraw/zinc/52/34/90/892523490.db2.gz VTZAAYCRFDGTBN-NKWVEPMBSA-N 0 3 277.346 -2.001 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(N)=O ZINC001480522610 892524404 /nfs/dbraw/zinc/52/44/04/892524404.db2.gz REAFLRMMDJUKFR-HTQZYQBOSA-N 0 3 256.306 -1.813 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N[C@@H](C)C(N)=O ZINC001480517836 892524307 /nfs/dbraw/zinc/52/43/07/892524307.db2.gz JIAVENUQNLJCOE-WDSKDSINSA-N 0 3 255.282 -2.208 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1nnn(C)n1)C(N)=O ZINC001480517833 892524447 /nfs/dbraw/zinc/52/44/47/892524447.db2.gz JIAVENUQNLJCOE-NTSWFWBYSA-N 0 3 255.282 -2.208 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(N)=O ZINC001480524448 892524782 /nfs/dbraw/zinc/52/47/82/892524782.db2.gz QSLGWMLOVDIWIH-LURJTMIESA-N 0 3 253.262 -2.037 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)NCC(=O)NC1CC1 ZINC001480520892 892524828 /nfs/dbraw/zinc/52/48/28/892524828.db2.gz JMWFXLOQGQBBAB-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1C ZINC001480523366 892524846 /nfs/dbraw/zinc/52/48/46/892524846.db2.gz XQEULUIJWDBCEU-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)NCC(=O)NC(C)(C)C ZINC001480519077 892524927 /nfs/dbraw/zinc/52/49/27/892524927.db2.gz URZHZYNSCBCJSC-MRVPVSSYSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)NCC(N)=O ZINC001480488644 892524955 /nfs/dbraw/zinc/52/49/55/892524955.db2.gz NLAHHCVRNRMZPV-QMMMGPOBSA-N 0 3 278.312 -1.021 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@@H](C)NCC(N)=O ZINC001480515897 892524975 /nfs/dbraw/zinc/52/49/75/892524975.db2.gz JMKFZQWDNXMEIY-SSDOTTSWSA-N 0 3 269.305 -1.378 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC(=O)N1C ZINC001480523365 892525051 /nfs/dbraw/zinc/52/50/51/892525051.db2.gz XQEULUIJWDBCEU-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@@H]1CCNC1=O ZINC001480523856 892525449 /nfs/dbraw/zinc/52/54/49/892525449.db2.gz GNZYHAFUBONUDX-HTQZYQBOSA-N 0 3 279.300 -1.634 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(=O)N(C)C ZINC001480522579 892525791 /nfs/dbraw/zinc/52/57/91/892525791.db2.gz XZKDWMJYJVLRAT-ZJUUUORDSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@@H](C)C(=O)NC1CC1 ZINC001480517125 892526133 /nfs/dbraw/zinc/52/61/33/892526133.db2.gz BAGAZFWBDVIWCF-SFYZADRCSA-N 0 3 295.347 -1.415 20 0 CAADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)N[C@@H]1CCNC1=O ZINC001480491966 892526231 /nfs/dbraw/zinc/52/62/31/892526231.db2.gz YJCNKDCIYPWSHZ-RKDXNWHRSA-N 0 3 296.331 -2.435 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001480519282 892526276 /nfs/dbraw/zinc/52/62/76/892526276.db2.gz UKXFTALLFBYMOV-NXEZZACHSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCN(C)C1=O)NCC(=O)NC1CC1 ZINC001480520891 892526305 /nfs/dbraw/zinc/52/63/05/892526305.db2.gz JMWFXLOQGQBBAB-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)NCC(=O)NC1CC1 ZINC001480520890 892526335 /nfs/dbraw/zinc/52/63/35/892526335.db2.gz JMWFXLOQGQBBAB-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001480526055 892526367 /nfs/dbraw/zinc/52/63/67/892526367.db2.gz BHPOSMQIZQATMY-SSDOTTSWSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)NCC(=O)NC1CC1 ZINC001480519400 892526456 /nfs/dbraw/zinc/52/64/56/892526456.db2.gz XTLOTXRGIYCKAZ-ZETCQYMHSA-N 0 3 281.320 -1.803 20 0 CAADHN C[C@@H](CNC(=O)COCC(F)F)NCC(=O)NC(N)=O ZINC001480509837 892526478 /nfs/dbraw/zinc/52/64/78/892526478.db2.gz XSCHYSZBWIOQTG-LURJTMIESA-N 0 3 296.274 -1.443 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)N[C@H]1CCNC1=O ZINC001480491965 892526544 /nfs/dbraw/zinc/52/65/44/892526544.db2.gz YJCNKDCIYPWSHZ-IUCAKERBSA-N 0 3 296.331 -2.435 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)NCC(=O)NC1CC1 ZINC001480519399 892527615 /nfs/dbraw/zinc/52/76/15/892527615.db2.gz XTLOTXRGIYCKAZ-SSDOTTSWSA-N 0 3 281.320 -1.803 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(N)=O ZINC001480524449 892527735 /nfs/dbraw/zinc/52/77/35/892527735.db2.gz QSLGWMLOVDIWIH-ZCFIWIBFSA-N 0 3 253.262 -2.037 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@H](C)C(=O)NC1CC1 ZINC001480517123 892527823 /nfs/dbraw/zinc/52/78/23/892527823.db2.gz BAGAZFWBDVIWCF-HTQZYQBOSA-N 0 3 295.347 -1.415 20 0 CAADHN CC(C)c1nnnn1CC(=O)NC[C@H](C)NCC(N)=O ZINC001480550827 892528639 /nfs/dbraw/zinc/52/86/39/892528639.db2.gz ODRQNUIBBUMVAK-QMMMGPOBSA-N 0 3 283.336 -1.624 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001480531200 892529010 /nfs/dbraw/zinc/52/90/10/892529010.db2.gz VYCJRFKWGSWGFS-ZETCQYMHSA-N 0 3 269.305 -1.420 20 0 CAADHN C[C@H](CNC(=O)c1ccnnc1)N[C@H](C)C(=O)NC(N)=O ZINC001480542957 892529197 /nfs/dbraw/zinc/52/91/97/892529197.db2.gz IKPPVXXWYZACRY-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@H](CNC(=O)c1cccc(=O)n1C)N[C@@H]1CCNC1=O ZINC001480533651 892529334 /nfs/dbraw/zinc/52/93/34/892529334.db2.gz MNLJEACFAWAWOF-NXEZZACHSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@H](CNC(=O)C1(C(N)=O)CC1)NCC(=O)N(C)C1CC1 ZINC001480529312 892529624 /nfs/dbraw/zinc/52/96/24/892529624.db2.gz XBLGQMNFDUEMEJ-SECBINFHSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001480527757 892529691 /nfs/dbraw/zinc/52/96/91/892529691.db2.gz RKKJPGAKDAZYGF-SFYZADRCSA-N 0 3 281.316 -1.388 20 0 CAADHN C[C@H](CNC(=O)CCc1cnn(C)n1)N[C@@H]1CCNC1=O ZINC001480537824 892529950 /nfs/dbraw/zinc/52/99/50/892529950.db2.gz QJQZOZWGAGMVBD-MWLCHTKSSA-N 0 3 294.359 -1.270 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001480527751 892530069 /nfs/dbraw/zinc/53/00/69/892530069.db2.gz RKKJPGAKDAZYGF-HTQZYQBOSA-N 0 3 281.316 -1.388 20 0 CAADHN Cc1nc(CN[C@H](C)CNC(=O)[C@@H]2CNC(=O)N2)n[nH]1 ZINC001480528376 892530463 /nfs/dbraw/zinc/53/04/63/892530463.db2.gz VURBJPOGSTWQMC-SVRRBLITSA-N 0 3 281.320 -1.611 20 0 CAADHN CCS(=O)(=O)CCCN[C@@H](C)CNC(=O)C(N)=O ZINC001480530329 892530611 /nfs/dbraw/zinc/53/06/11/892530611.db2.gz ZRJSQHXHUONEDZ-QMMMGPOBSA-N 0 3 279.362 -1.609 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](C)NCC(N)=O)CC1 ZINC001480552508 892530669 /nfs/dbraw/zinc/53/06/69/892530669.db2.gz CPQGBKUACOVXKD-SSDOTTSWSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)N[C@@H]1CCNC1=O ZINC001480537821 892530969 /nfs/dbraw/zinc/53/09/69/892530969.db2.gz QJQZOZWGAGMVBD-GXSJLCMTSA-N 0 3 294.359 -1.270 20 0 CAADHN C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)N[C@@H](C)C(N)=O ZINC001480568085 892532562 /nfs/dbraw/zinc/53/25/62/892532562.db2.gz WSXLSKLFNRPUOZ-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)Cn1cncn1 ZINC001480586271 892532710 /nfs/dbraw/zinc/53/27/10/892532710.db2.gz VNBKJLGOVCGFQB-DTWKUNHWSA-N 0 3 268.321 -1.493 20 0 CAADHN CCn1cc(C(=O)NC[C@H](C)N[C@H]2CCNC2=O)nn1 ZINC001480563810 892532861 /nfs/dbraw/zinc/53/28/61/892532861.db2.gz KHQIVAIOLQXKAO-IUCAKERBSA-N 0 3 280.332 -1.106 20 0 CAADHN C[C@@H](CNC(=O)c1ccncn1)N[C@@H](C)C(=O)NC(N)=O ZINC001480555979 892533014 /nfs/dbraw/zinc/53/30/14/892533014.db2.gz IYBACCQFLBKVCY-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@H](CNC(=O)CCN1CCCC1=O)N[C@H](C)C(N)=O ZINC001480592953 892533767 /nfs/dbraw/zinc/53/37/67/892533767.db2.gz NDMJTJMUEMJYHS-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)Cn1cncn1 ZINC001480586273 892533851 /nfs/dbraw/zinc/53/38/51/892533851.db2.gz VNBKJLGOVCGFQB-RKDXNWHRSA-N 0 3 268.321 -1.493 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001480561559 892534006 /nfs/dbraw/zinc/53/40/06/892534006.db2.gz KUCPNZHUSHJEEV-QMMMGPOBSA-N 0 3 295.343 -1.042 20 0 CAADHN CCn1cc(C(=O)NC[C@H](C)N[C@@H]2CCNC2=O)nn1 ZINC001480563809 892534077 /nfs/dbraw/zinc/53/40/77/892534077.db2.gz KHQIVAIOLQXKAO-DTWKUNHWSA-N 0 3 280.332 -1.106 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](C)NCC(N)=O)nn1 ZINC001480563430 892534122 /nfs/dbraw/zinc/53/41/22/892534122.db2.gz GNKANXSZOBPNAE-SSDOTTSWSA-N 0 3 254.294 -1.509 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)Cn1cncn1 ZINC001480586270 892534188 /nfs/dbraw/zinc/53/41/88/892534188.db2.gz VNBKJLGOVCGFQB-BDAKNGLRSA-N 0 3 268.321 -1.493 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CN1CCC(=O)NC1=O)C(N)=O ZINC001480568083 892534220 /nfs/dbraw/zinc/53/42/20/892534220.db2.gz WSXLSKLFNRPUOZ-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001480567483 892534250 /nfs/dbraw/zinc/53/42/50/892534250.db2.gz PRIKLYPDCMHAQC-SSDOTTSWSA-N 0 3 283.288 -1.114 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)CCNC(N)=O ZINC001480585707 892534282 /nfs/dbraw/zinc/53/42/82/892534282.db2.gz FUUJEUUWQHTEMT-SECBINFHSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CCn1cnnn1)C(N)=O ZINC001480559741 892534795 /nfs/dbraw/zinc/53/47/95/892534795.db2.gz PWULPMAFOWGFDQ-BDAKNGLRSA-N 0 3 283.336 -1.579 20 0 CAADHN C[C@@H](CNC(=O)c1ncccn1)N[C@@H](C)C(=O)NC(N)=O ZINC001480559120 892535506 /nfs/dbraw/zinc/53/55/06/892535506.db2.gz ITACJDSNOLXHGS-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN CS(=O)(=O)NCCN[C@H]1CCN(C(=O)C(F)F)C1 ZINC001480609504 892536735 /nfs/dbraw/zinc/53/67/35/892536735.db2.gz BCWQOZMSCPEHEU-ZETCQYMHSA-N 0 3 285.316 -1.009 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001480599254 892536921 /nfs/dbraw/zinc/53/69/21/892536921.db2.gz DDOGLYSRSRWXNU-MRVPVSSYSA-N 0 3 283.332 -1.822 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001480613751 892537570 /nfs/dbraw/zinc/53/75/70/892537570.db2.gz PLEMGZGDLRTWOX-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001480620673 892537628 /nfs/dbraw/zinc/53/76/28/892537628.db2.gz RBXQWRJYNGFQJJ-VIFPVBQESA-N 0 3 265.317 -1.111 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cn2ccccc2=O)C1 ZINC001480624061 892537723 /nfs/dbraw/zinc/53/77/23/892537723.db2.gz HZXUAUKKZBWNDE-NSHDSACASA-N 0 3 292.339 -1.215 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001480603894 892538333 /nfs/dbraw/zinc/53/83/33/892538333.db2.gz HMUVWFQOVXXOMN-UWVGGRQHSA-N 0 3 296.375 -1.024 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001480611432 892538407 /nfs/dbraw/zinc/53/84/07/892538407.db2.gz QHVOSRLZHCACOX-VIFPVBQESA-N 0 3 256.306 -1.860 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCc1cn(C)nn1 ZINC001480603896 892538646 /nfs/dbraw/zinc/53/86/46/892538646.db2.gz HMUVWFQOVXXOMN-ZJUUUORDSA-N 0 3 296.375 -1.024 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)N[C@@H]1CCNC1=O ZINC001480599507 892539657 /nfs/dbraw/zinc/53/96/57/892539657.db2.gz IMXHWXYDHMDRCS-RKDXNWHRSA-N 0 3 295.343 -1.680 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001480654201 892541076 /nfs/dbraw/zinc/54/10/76/892541076.db2.gz RCOAOAHYRVVVQX-RKDXNWHRSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001480654199 892542034 /nfs/dbraw/zinc/54/20/34/892542034.db2.gz RCOAOAHYRVVVQX-DTWKUNHWSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)[C@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1nnc[n-]1 ZINC001480802633 892543570 /nfs/dbraw/zinc/54/35/70/892543570.db2.gz XOGNABKZUHOLSL-IUCAKERBSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@H](CCNC(=O)Cc1nnc[n-]1)[NH2+][C@@H](C)C(N)=O ZINC001480802225 892545874 /nfs/dbraw/zinc/54/58/74/892545874.db2.gz LQSSVQZYEVJGNF-SFYZADRCSA-N 0 3 268.321 -1.295 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001480855029 892547523 /nfs/dbraw/zinc/54/75/23/892547523.db2.gz UFGGNGJIVFPAFV-NXEZZACHSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC001480855030 892549459 /nfs/dbraw/zinc/54/94/59/892549459.db2.gz UFGGNGJIVFPAFV-UWVGGRQHSA-N 0 3 257.334 -1.059 20 0 CAADHN COCCn1cc(C(=O)NCCN(C)CCO)nn1 ZINC001480863013 892552861 /nfs/dbraw/zinc/55/28/61/892552861.db2.gz KTGPAXMDDMOXHW-UHFFFAOYSA-N 0 3 271.321 -1.422 20 0 CAADHN CNC(=O)NCC(=O)NCCN(C)C[C@@H](C)OC ZINC001480871022 892553248 /nfs/dbraw/zinc/55/32/48/892553248.db2.gz GZCPZQRBVQCUTE-SECBINFHSA-N 0 3 260.338 -1.002 20 0 CAADHN CNC(=O)NCC(=O)NCCN(C)C[C@H](C)OC ZINC001480871024 892554557 /nfs/dbraw/zinc/55/45/57/892554557.db2.gz GZCPZQRBVQCUTE-VIFPVBQESA-N 0 3 260.338 -1.002 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)C[C@@H](C)NC(N)=O ZINC001480864853 892555919 /nfs/dbraw/zinc/55/59/19/892555919.db2.gz VJWZNFUAUURIKP-RKDXNWHRSA-N 0 3 260.338 -1.138 20 0 CAADHN C[C@H](C(N)=O)N(C)CCNC(=O)C1=NC(=O)N(C)C1 ZINC001480906965 892557485 /nfs/dbraw/zinc/55/74/85/892557485.db2.gz KXZJHGAFTADHKM-SSDOTTSWSA-N 0 3 269.305 -1.339 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)C(C)(F)F ZINC001481201706 892581787 /nfs/dbraw/zinc/58/17/87/892581787.db2.gz XNPGOFDXHDQSPO-UHFFFAOYSA-N 0 3 266.248 -1.116 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)C1(C(N)=O)CC1 ZINC001480911797 892558069 /nfs/dbraw/zinc/55/80/69/892558069.db2.gz GQFMMXBKMCFAAM-VIFPVBQESA-N 0 3 273.333 -1.693 20 0 CAADHN CN(CCO)CCNC(=O)CCCS(N)(=O)=O ZINC001480906311 892558209 /nfs/dbraw/zinc/55/82/09/892558209.db2.gz RCRNFXXCUKBQSX-UHFFFAOYSA-N 0 3 267.351 -1.905 20 0 CAADHN CN(CCNC(=O)[C@@H]1CNC(=O)N1)CCOCC(F)F ZINC001480906005 892558514 /nfs/dbraw/zinc/55/85/14/892558514.db2.gz HSPMAJNGUVCEBS-QMMMGPOBSA-N 0 3 294.302 -1.003 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)C(C)(C)C(N)=O ZINC001481243197 892590538 /nfs/dbraw/zinc/59/05/38/892590538.db2.gz IXFOHPORNBZQGW-QMMMGPOBSA-N 0 3 272.349 -1.320 20 0 CAADHN CN(CCCO)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001480899105 892559705 /nfs/dbraw/zinc/55/97/05/892559705.db2.gz IJZQRCOZCDUMHI-UWVGGRQHSA-N 0 3 257.334 -1.072 20 0 CAADHN CN(CCCO)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001480899107 892560058 /nfs/dbraw/zinc/56/00/58/892560058.db2.gz IJZQRCOZCDUMHI-VHSXEESVSA-N 0 3 257.334 -1.072 20 0 CAADHN CN(CCCN1CCCC1=O)CCNC(=O)C(N)=O ZINC001480912763 892560291 /nfs/dbraw/zinc/56/02/91/892560291.db2.gz YFWVYOUECOSGSL-UHFFFAOYSA-N 0 3 270.333 -1.468 20 0 CAADHN COCCN(C)CCNC(=O)CCn1cnnn1 ZINC001480928671 892561833 /nfs/dbraw/zinc/56/18/33/892561833.db2.gz WZAQJNIHRUFNLR-UHFFFAOYSA-N 0 3 256.310 -1.242 20 0 CAADHN CN(CCO)CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001480944358 892561893 /nfs/dbraw/zinc/56/18/93/892561893.db2.gz DKYWWOTYMIIFHZ-QMMMGPOBSA-N 0 3 272.305 -1.985 20 0 CAADHN CCCNC(=O)CN(C)CCNC(=O)c1ncn[nH]1 ZINC001480925238 892564501 /nfs/dbraw/zinc/56/45/01/892564501.db2.gz DPMUOHYSJOHDDF-UHFFFAOYSA-N 0 3 268.321 -1.008 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CN1C(=O)CCC1=O ZINC001480944530 892564530 /nfs/dbraw/zinc/56/45/30/892564530.db2.gz LODDPMIJQZWWAW-SECBINFHSA-N 0 3 271.317 -1.436 20 0 CAADHN CNC(=O)NC(=O)CN(C)CCNC(=O)Cc1cnc[nH]1 ZINC001480915635 892565545 /nfs/dbraw/zinc/56/55/45/892565545.db2.gz CDTWFNUGDZQQDM-UHFFFAOYSA-N 0 3 296.331 -1.544 20 0 CAADHN CCN(CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)CCOC ZINC001481002316 892566639 /nfs/dbraw/zinc/56/66/39/892566639.db2.gz IGUOOVRUQUULHV-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CCN(CCO)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001480995967 892567628 /nfs/dbraw/zinc/56/76/28/892567628.db2.gz IMEPEPISTJAXPE-UHFFFAOYSA-N 0 3 254.290 -1.186 20 0 CAADHN CCN(CCNC(=O)C1=NC(=O)N(C)C1)CC(N)=O ZINC001480998393 892570524 /nfs/dbraw/zinc/57/05/24/892570524.db2.gz MWCQIZYOHOSKJS-UHFFFAOYSA-N 0 3 269.305 -1.337 20 0 CAADHN CCN(CCNC(=O)Cc1n[nH]c(C)n1)[C@H]1CCNC1=O ZINC001480974552 892571124 /nfs/dbraw/zinc/57/11/24/892571124.db2.gz NXBQTDGBTZYRPM-JTQLQIEISA-N 0 3 294.359 -1.018 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCCN1CCO ZINC001481059829 892571705 /nfs/dbraw/zinc/57/17/05/892571705.db2.gz QLOSYUSYPLJSHU-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CCCN1CCO ZINC001481059826 892572262 /nfs/dbraw/zinc/57/22/62/892572262.db2.gz QLOSYUSYPLJSHU-UWVGGRQHSA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CCCN1CCO ZINC001481059827 892574715 /nfs/dbraw/zinc/57/47/15/892574715.db2.gz QLOSYUSYPLJSHU-VHSXEESVSA-N 0 3 293.389 -1.503 20 0 CAADHN O=C(Cn1ncnn1)NCCN(CCCO)C1CC1 ZINC001481170880 892577033 /nfs/dbraw/zinc/57/70/33/892577033.db2.gz VSDPRNMGKPFDKT-UHFFFAOYSA-N 0 3 268.321 -1.364 20 0 CAADHN CCCN(CCNC(=O)Cc1nnc[nH]1)CC(=O)NC ZINC001481151347 892577917 /nfs/dbraw/zinc/57/79/17/892577917.db2.gz CZIICNKYYSNNEI-UHFFFAOYSA-N 0 3 282.348 -1.079 20 0 CAADHN CCCC[C@H](C(N)=O)N1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001481108077 892577727 /nfs/dbraw/zinc/57/77/27/892577727.db2.gz OKHLYGYIMLKQRT-NXEZZACHSA-N 0 3 284.360 -1.046 20 0 CAADHN CC(C)N1CC[C@@H](N2CC[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001481108329 892578863 /nfs/dbraw/zinc/57/88/63/892578863.db2.gz UUOQAHZGZCCEST-GHMZBOCLSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)N1CC[C@H](N2CC[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001481108330 892579397 /nfs/dbraw/zinc/57/93/97/892579397.db2.gz UUOQAHZGZCCEST-MNOVXSKESA-N 0 3 296.371 -1.081 20 0 CAADHN CCCC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001481108079 892580192 /nfs/dbraw/zinc/58/01/92/892580192.db2.gz OKHLYGYIMLKQRT-VHSXEESVSA-N 0 3 284.360 -1.046 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN(CCCO)C2CC2)O1 ZINC001481186324 892581741 /nfs/dbraw/zinc/58/17/41/892581741.db2.gz OUQSRAUVWIXMNK-NWDGAFQWSA-N 0 3 299.371 -1.018 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001481204079 892581816 /nfs/dbraw/zinc/58/18/16/892581816.db2.gz LGUSIZOJMKEMHT-UHFFFAOYSA-N 0 3 266.301 -1.272 20 0 CAADHN Cn1cc(C(=O)NCCN(CCO)C2CC2)c(=O)[nH]c1=O ZINC001481197195 892581991 /nfs/dbraw/zinc/58/19/91/892581991.db2.gz VSUFRCZOBDJWBX-UHFFFAOYSA-N 0 3 296.327 -1.328 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001481203552 892582167 /nfs/dbraw/zinc/58/21/67/892582167.db2.gz CAZONVQMIVOOCT-SCZZXKLOSA-N 0 3 298.343 -1.636 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)Cc1cnn(C)c1 ZINC001481211899 892582539 /nfs/dbraw/zinc/58/25/39/892582539.db2.gz AAWAZWJDSWOTQN-NSHDSACASA-N 0 3 279.344 -1.101 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001481215156 892582552 /nfs/dbraw/zinc/58/25/52/892582552.db2.gz GBLUMUJWVQFKLN-SECBINFHSA-N 0 3 298.343 -1.634 20 0 CAADHN COC(=O)NCC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001481211551 892582584 /nfs/dbraw/zinc/58/25/84/892582584.db2.gz YIVSGDXLZTUDMV-SSDOTTSWSA-N 0 3 260.294 -1.736 20 0 CAADHN CCO[C@@H](C)C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001481208313 892582597 /nfs/dbraw/zinc/58/25/97/892582597.db2.gz AQWIBBJZSDORLK-QMMMGPOBSA-N 0 3 274.321 -1.346 20 0 CAADHN Cc1cc(C(=O)N(C)CCNCC(=O)NC(N)=O)[nH]n1 ZINC001481210728 892582908 /nfs/dbraw/zinc/58/29/08/892582908.db2.gz GZQRUWOFUNSPLG-UHFFFAOYSA-N 0 3 282.304 -1.425 20 0 CAADHN Cc1cc(C(=O)N(C)CCNCC(=O)NC(N)=O)n[nH]1 ZINC001481210728 892582919 /nfs/dbraw/zinc/58/29/19/892582919.db2.gz GZQRUWOFUNSPLG-UHFFFAOYSA-N 0 3 282.304 -1.425 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCN[C@H](C)C(=O)N(C)C ZINC001481208182 892583039 /nfs/dbraw/zinc/58/30/39/892583039.db2.gz DTPIOGVSJOIOCX-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)CNC(C)=O)C1=O ZINC001481202703 892583118 /nfs/dbraw/zinc/58/31/18/892583118.db2.gz WZBCHKUIKFABKR-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)CCn1cncn1 ZINC001481207658 892583134 /nfs/dbraw/zinc/58/31/34/892583134.db2.gz WZGWRADFKDVBSW-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN CN(CCNCC(=O)N1CCCC1)C(=O)[C@H]1CCC(=O)N1 ZINC001481213928 892583201 /nfs/dbraw/zinc/58/32/01/892583201.db2.gz OAJREPLWGVYMPQ-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001481203554 892583367 /nfs/dbraw/zinc/58/33/67/892583367.db2.gz CAZONVQMIVOOCT-WPRPVWTQSA-N 0 3 298.343 -1.636 20 0 CAADHN O=C(NCCN(CCO)C1CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001481188479 892583426 /nfs/dbraw/zinc/58/34/26/892583426.db2.gz OPGLTHMJNXVBDJ-VIFPVBQESA-N 0 3 284.316 -1.843 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccnn1C)C(=O)NC(N)=O ZINC001481213850 892583994 /nfs/dbraw/zinc/58/39/94/892583994.db2.gz LZUKMAQYSYAXMM-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN NC(=O)C1(C(=O)NCCN(CCO)C2CC2)CC1 ZINC001481184033 892584111 /nfs/dbraw/zinc/58/41/11/892584111.db2.gz XRPYQUUSMNEJKX-UHFFFAOYSA-N 0 3 255.318 -1.175 20 0 CAADHN Cn1nnc(C(=O)NCCN(CCO)C2CC2)n1 ZINC001481181813 892584150 /nfs/dbraw/zinc/58/41/50/892584150.db2.gz IXVUURCNZLCUNL-UHFFFAOYSA-N 0 3 254.294 -1.603 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN(CCO)C2CC2)O1 ZINC001481185782 892584202 /nfs/dbraw/zinc/58/42/02/892584202.db2.gz FKTIVTWZBKDLAK-WDEREUQCSA-N 0 3 285.344 -1.408 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1COCCO1 ZINC001481208615 892584272 /nfs/dbraw/zinc/58/42/72/892584272.db2.gz DZLGJLLIAGPGLP-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cocn1)C(=O)NC(N)=O ZINC001481214103 892584318 /nfs/dbraw/zinc/58/43/18/892584318.db2.gz QDOIXJGJLDFDRA-SSDOTTSWSA-N 0 3 283.288 -1.080 20 0 CAADHN CCNC(=O)CC(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001481222277 892585480 /nfs/dbraw/zinc/58/54/80/892585480.db2.gz PIDRTNKFPOWQIY-VIFPVBQESA-N 0 3 298.343 -1.634 20 0 CAADHN CC(C)N(C)C(=O)CNCCN(C)C(=O)CC(N)=O ZINC001481216606 892585912 /nfs/dbraw/zinc/58/59/12/892585912.db2.gz ITIVGRPQSAXDBR-UHFFFAOYSA-N 0 3 272.349 -1.223 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1CN(C)CCO1)C(N)=O ZINC001481217228 892586000 /nfs/dbraw/zinc/58/60/00/892586000.db2.gz GJYNSAZPZYPEEV-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@H](C(=O)N(C)CCNCC(=O)N(C)C)n1cncn1 ZINC001481222492 892586027 /nfs/dbraw/zinc/58/60/27/892586027.db2.gz DUEBXIAIUDCEGM-SNVBAGLBSA-N 0 3 282.348 -1.025 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)c1cnnn1C ZINC001481224750 892586206 /nfs/dbraw/zinc/58/62/06/892586206.db2.gz BPEWDQCBYSCXGX-UHFFFAOYSA-N 0 3 268.321 -1.387 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCN[C@H]2CCN(C)C2=O)C1 ZINC001481224060 892586254 /nfs/dbraw/zinc/58/62/54/892586254.db2.gz FBBQBRXQWVCYLS-LBPRGKRZSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ncc[nH]1)C(=O)NC(N)=O ZINC001481227691 892586437 /nfs/dbraw/zinc/58/64/37/892586437.db2.gz ALESZBHIAFTYTG-ZETCQYMHSA-N 0 3 282.304 -1.345 20 0 CAADHN CC(C)N1CC[C@H](NCCN(C)C(=O)CC(N)=O)C1=O ZINC001481216673 892586475 /nfs/dbraw/zinc/58/64/75/892586475.db2.gz LLXCSLBOAOQLJS-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN CN(CCNCC(N)=O)C(=O)Cc1ccn(C)n1 ZINC001481229291 892586546 /nfs/dbraw/zinc/58/65/46/892586546.db2.gz MZKAPPGQKXMYAF-UHFFFAOYSA-N 0 3 253.306 -1.504 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1ncc[nH]1 ZINC001481227630 892586626 /nfs/dbraw/zinc/58/66/26/892586626.db2.gz ZNKSRBUVLRUGGX-QMMMGPOBSA-N 0 3 251.290 -1.040 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1CN(C)CCO1)C(N)=O ZINC001481217227 892586850 /nfs/dbraw/zinc/58/68/50/892586850.db2.gz GJYNSAZPZYPEEV-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)C1 ZINC001481224059 892586944 /nfs/dbraw/zinc/58/69/44/892586944.db2.gz FBBQBRXQWVCYLS-GFCCVEGCSA-N 0 3 296.371 -1.257 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CN1CCOCC1 ZINC001481222511 892587122 /nfs/dbraw/zinc/58/71/22/892587122.db2.gz FLCTZNZSYXGINX-GFCCVEGCSA-N 0 3 298.387 -1.403 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001481217695 892587513 /nfs/dbraw/zinc/58/75/13/892587513.db2.gz QECOAHSFPUKKBU-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@H](NCCN(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001481226351 892587531 /nfs/dbraw/zinc/58/75/31/892587531.db2.gz AGSPNLDBOCJVRN-QMMMGPOBSA-N 0 3 268.321 -1.259 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)Cn1ncnn1 ZINC001481231373 892587721 /nfs/dbraw/zinc/58/77/21/892587721.db2.gz XRXDIHIAWPSTLG-UHFFFAOYSA-N 0 3 283.336 -1.753 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001481225645 892588178 /nfs/dbraw/zinc/58/81/78/892588178.db2.gz RLHZXNGVBGOJNQ-IUCAKERBSA-N 0 3 284.316 -1.627 20 0 CAADHN CC[C@H](NCCN(C)C(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001481242333 892588971 /nfs/dbraw/zinc/58/89/71/892588971.db2.gz HCMOOBCEVINVFC-VIFPVBQESA-N 0 3 295.343 -1.294 20 0 CAADHN C[C@@H]1CO[C@@H](C(=O)N(C)CCNCC(=O)NC(N)=O)C1 ZINC001481260796 892589078 /nfs/dbraw/zinc/58/90/78/892589078.db2.gz XOKPZCUURPATRS-DTWKUNHWSA-N 0 3 286.332 -1.346 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H](C)N1C(=O)CCC1=O ZINC001481235504 892589225 /nfs/dbraw/zinc/58/92/25/892589225.db2.gz APPSCYRUVCGHGW-VIFPVBQESA-N 0 3 298.343 -1.682 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001481255443 892589747 /nfs/dbraw/zinc/58/97/47/892589747.db2.gz IAVUAHJAXKXIDJ-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@H]1CCCC(=O)N1)C(N)=O ZINC001481255650 892589831 /nfs/dbraw/zinc/58/98/31/892589831.db2.gz OJVFXFHLFKIHIR-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H]1CO[C@H](C(=O)N(C)CCNCC(=O)NC(N)=O)C1 ZINC001481260794 892590081 /nfs/dbraw/zinc/59/00/81/892590081.db2.gz XOKPZCUURPATRS-BDAKNGLRSA-N 0 3 286.332 -1.346 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cc2n(n1)CCO2 ZINC001481240378 892590114 /nfs/dbraw/zinc/59/01/14/892590114.db2.gz HGKMFTXZKCWVHR-VIFPVBQESA-N 0 3 293.327 -1.174 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccnc2n[nH]nc21)C(N)=O ZINC001481256267 892590135 /nfs/dbraw/zinc/59/01/35/892590135.db2.gz IDIAXAJBTRLBCW-ZETCQYMHSA-N 0 3 291.315 -1.112 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1n[nH]nc1C ZINC001481264634 892590183 /nfs/dbraw/zinc/59/01/83/892590183.db2.gz GCSXLAPWLLEPJX-MRVPVSSYSA-N 0 3 268.321 -1.091 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)C(N)=O ZINC001481248778 892590328 /nfs/dbraw/zinc/59/03/28/892590328.db2.gz TXXVOXRPLDXUAQ-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCN(C)C(=O)C1)C(N)=O ZINC001481248780 892590399 /nfs/dbraw/zinc/59/03/99/892590399.db2.gz TXXVOXRPLDXUAQ-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001481264127 892590408 /nfs/dbraw/zinc/59/04/08/892590408.db2.gz NBOQZVGFQHNYPH-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@@H]1CCCNC1=O ZINC001481243146 892590507 /nfs/dbraw/zinc/59/05/07/892590507.db2.gz GSMHVUZZCWLAMN-MRVPVSSYSA-N 0 3 299.331 -2.245 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)c1n[nH]nc1C ZINC001481264951 892590588 /nfs/dbraw/zinc/59/05/88/892590588.db2.gz SMCZNIKXTWKGAH-UHFFFAOYSA-N 0 3 268.321 -1.089 20 0 CAADHN C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)CCNCC(N)=O ZINC001481231935 892590624 /nfs/dbraw/zinc/59/06/24/892590624.db2.gz BQRGUGMGBPBSDH-SECBINFHSA-N 0 3 296.327 -1.069 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@H]1CCCC(=O)N1 ZINC001481255441 892590676 /nfs/dbraw/zinc/59/06/76/892590676.db2.gz IAVUAHJAXKXIDJ-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001481251518 892590725 /nfs/dbraw/zinc/59/07/25/892590725.db2.gz BQDZXZMBFWFSRG-MRVPVSSYSA-N 0 3 256.306 -1.954 20 0 CAADHN COCC(=O)N(C)CC(=O)N(C)CCNCC(N)=O ZINC001481236822 892590908 /nfs/dbraw/zinc/59/09/08/892590908.db2.gz YGTPWSXWLNUEDL-UHFFFAOYSA-N 0 3 274.321 -2.376 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cncn1C ZINC001481253158 892591027 /nfs/dbraw/zinc/59/10/27/892591027.db2.gz YWIJCHDAVMSXBL-SECBINFHSA-N 0 3 265.317 -1.030 20 0 CAADHN CCC[C@H](C(=O)N(C)CCNCC(N)=O)S(N)(=O)=O ZINC001481260571 892591057 /nfs/dbraw/zinc/59/10/57/892591057.db2.gz WGUKFVAJRGQMPS-MRVPVSSYSA-N 0 3 294.377 -2.023 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001481255442 892591318 /nfs/dbraw/zinc/59/13/18/892591318.db2.gz IAVUAHJAXKXIDJ-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001481264128 892591392 /nfs/dbraw/zinc/59/13/92/892591392.db2.gz NBOQZVGFQHNYPH-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001481266866 892592783 /nfs/dbraw/zinc/59/27/83/892592783.db2.gz NQKKYZDUEKZDPL-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCNCC(=O)NCC1CC1)C(=O)c1nnn(C)n1 ZINC001481269228 892592848 /nfs/dbraw/zinc/59/28/48/892592848.db2.gz WJPYJHQYTDFZMU-UHFFFAOYSA-N 0 3 295.347 -1.602 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001481280121 892592881 /nfs/dbraw/zinc/59/28/81/892592881.db2.gz UKQVJSWBYPNSOY-SECBINFHSA-N 0 3 293.327 -1.336 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001481280123 892592943 /nfs/dbraw/zinc/59/29/43/892592943.db2.gz UKQVJSWBYPNSOY-VIFPVBQESA-N 0 3 293.327 -1.336 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCNC1=O ZINC001481267417 892592999 /nfs/dbraw/zinc/59/29/99/892592999.db2.gz XSHMLLGNFHJXES-NXEZZACHSA-N 0 3 282.344 -1.599 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)[C@H]2CCNC2=O)C1=O ZINC001481266632 892593160 /nfs/dbraw/zinc/59/31/60/892593160.db2.gz IXNZGRCLVLEGJZ-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)[C@]1(C)CCNC1=O ZINC001481280616 892593369 /nfs/dbraw/zinc/59/33/69/892593369.db2.gz UIWFLXSEHZRGSO-CQSZACIVSA-N 0 3 296.371 -1.207 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)c1cnn(C)n1 ZINC001481291893 892593713 /nfs/dbraw/zinc/59/37/13/892593713.db2.gz RWEMQXPUEUYFKI-MRVPVSSYSA-N 0 3 294.315 -1.718 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)[C@@]1(C)CCNC1=O ZINC001481280615 892593796 /nfs/dbraw/zinc/59/37/96/892593796.db2.gz UIWFLXSEHZRGSO-AWEZNQCLSA-N 0 3 296.371 -1.207 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001481267171 892594068 /nfs/dbraw/zinc/59/40/68/892594068.db2.gz SPHMBDLYHUEIRV-SNVBAGLBSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cc1cnoc1)C(=O)NC(N)=O ZINC001481269602 892594517 /nfs/dbraw/zinc/59/45/17/892594517.db2.gz JWOFGBGIIZUQSW-MRVPVSSYSA-N 0 3 297.315 -1.152 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2CCNC2=O)C1=O ZINC001481266634 892594958 /nfs/dbraw/zinc/59/49/58/892594958.db2.gz IXNZGRCLVLEGJZ-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCNCC(N)=O)C(=O)C(C)(C)N1CCOCC1 ZINC001481292386 892595441 /nfs/dbraw/zinc/59/54/41/892595441.db2.gz IWQWGQQDLWYQBF-UHFFFAOYSA-N 0 3 286.376 -1.370 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)Cc1ncc[nH]1 ZINC001481294632 892596111 /nfs/dbraw/zinc/59/61/11/892596111.db2.gz CSFVJTBAOKEIJQ-SECBINFHSA-N 0 3 265.317 -1.111 20 0 CAADHN Cc1nonc1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001481323027 892596284 /nfs/dbraw/zinc/59/62/84/892596284.db2.gz WHCMLIZGNIAVFY-SSDOTTSWSA-N 0 3 255.278 -1.087 20 0 CAADHN CCCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(CCO)C1 ZINC001481405793 892596616 /nfs/dbraw/zinc/59/66/16/892596616.db2.gz LLISNCYTRPASNB-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)Cn1cncn1 ZINC001481312287 892596756 /nfs/dbraw/zinc/59/67/56/892596756.db2.gz IXSFLSFJIOTZMF-UHFFFAOYSA-N 0 3 268.321 -1.538 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)CCNC(N)=O ZINC001481314390 892596797 /nfs/dbraw/zinc/59/67/97/892596797.db2.gz KCGTZBKANXUTCG-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001481321141 892596841 /nfs/dbraw/zinc/59/68/41/892596841.db2.gz WBNCKTOSJSPERP-VIFPVBQESA-N 0 3 297.359 -1.480 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H]1CCCN1C(C)=O ZINC001481321115 892596866 /nfs/dbraw/zinc/59/68/66/892596866.db2.gz OWWABKABCVXXFI-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001481305930 892596901 /nfs/dbraw/zinc/59/69/01/892596901.db2.gz SVDHDQTZAFOJAJ-IUCAKERBSA-N 0 3 296.327 -1.882 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H]2CC[C@@H](C1)N2C[C@@H](C)O ZINC001481380919 892596935 /nfs/dbraw/zinc/59/69/35/892596935.db2.gz XYTGQDVUBKYXMX-MXWKQRLJSA-N 0 3 284.360 -1.029 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCCn1cncn1)C(N)=O ZINC001481300130 892597225 /nfs/dbraw/zinc/59/72/25/892597225.db2.gz MCUQJMMCZUSHCC-JTQLQIEISA-N 0 3 282.348 -1.020 20 0 CAADHN COC[C@H](C)CC(=O)N(C)CCNCC(=O)NC(N)=O ZINC001481299558 892597468 /nfs/dbraw/zinc/59/74/68/892597468.db2.gz VRJUKZKDKUJSDZ-SECBINFHSA-N 0 3 288.348 -1.098 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CS(=O)(=O)NC ZINC001481317656 892597685 /nfs/dbraw/zinc/59/76/85/892597685.db2.gz PJDSSLKVIUULHR-UHFFFAOYSA-N 0 3 280.350 -2.670 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001481325055 892598201 /nfs/dbraw/zinc/59/82/01/892598201.db2.gz KHBURCHJYAYIAV-VIFPVBQESA-N 0 3 298.343 -1.825 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CCn1cnnn1 ZINC001481294560 892598219 /nfs/dbraw/zinc/59/82/19/892598219.db2.gz AWQVAGZZHLPTNS-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN COC[C@@H](C)CC(=O)N(C)CCNCC(=O)NC(N)=O ZINC001481299561 892598342 /nfs/dbraw/zinc/59/83/42/892598342.db2.gz VRJUKZKDKUJSDZ-VIFPVBQESA-N 0 3 288.348 -1.098 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCCn1cncn1)C(N)=O ZINC001481300132 892598379 /nfs/dbraw/zinc/59/83/79/892598379.db2.gz MCUQJMMCZUSHCC-SNVBAGLBSA-N 0 3 282.348 -1.020 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N(C)CCNCC(N)=O ZINC001481309417 892598440 /nfs/dbraw/zinc/59/84/40/892598440.db2.gz AUKVOAILTFDNKL-UHFFFAOYSA-N 0 3 280.350 -2.589 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CN1C(=O)CNC1=O ZINC001481312676 892598685 /nfs/dbraw/zinc/59/86/85/892598685.db2.gz XVPFXQBIGOTSOM-UHFFFAOYSA-N 0 3 271.277 -2.929 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CCn1cnnn1)C(N)=O ZINC001481295423 892598716 /nfs/dbraw/zinc/59/87/16/892598716.db2.gz UTFYPHHJPUYMSP-VIFPVBQESA-N 0 3 283.336 -1.625 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CN1CCC(=O)NC1=O ZINC001481299961 892598750 /nfs/dbraw/zinc/59/87/50/892598750.db2.gz IWFYUSNVJGJOIT-UHFFFAOYSA-N 0 3 285.304 -2.538 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CCn1cnnn1 ZINC001481295392 892598807 /nfs/dbraw/zinc/59/88/07/892598807.db2.gz SVOAGSMAMZJQAE-UHFFFAOYSA-N 0 3 255.282 -2.404 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001481453286 892600138 /nfs/dbraw/zinc/60/01/38/892600138.db2.gz MSAVHWQBPLBJSC-MXWKQRLJSA-N 0 3 296.371 -1.318 20 0 CAADHN CNC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001481483323 892600492 /nfs/dbraw/zinc/60/04/92/892600492.db2.gz YHRVNYZTDSBDDW-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)CCNC(N)=O)C1 ZINC001481460029 892600613 /nfs/dbraw/zinc/60/06/13/892600613.db2.gz UEOWBAYIBHAAMG-SNVBAGLBSA-N 0 3 299.375 -1.381 20 0 CAADHN NC(=O)C(=O)NCC[C@@H]1CCN(CC(=O)N2CCCC2)C1 ZINC001481443373 892600768 /nfs/dbraw/zinc/60/07/68/892600768.db2.gz ADVZWQJRGYXJMT-LLVKDONJSA-N 0 3 296.371 -1.078 20 0 CAADHN CNC(=O)[C@H](C)N(C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001481483321 892601364 /nfs/dbraw/zinc/60/13/64/892601364.db2.gz YHRVNYZTDSBDDW-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)[C@@H](C)N(C)C[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001481483320 892601372 /nfs/dbraw/zinc/60/13/72/892601372.db2.gz YHRVNYZTDSBDDW-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001481453285 892601704 /nfs/dbraw/zinc/60/17/04/892601704.db2.gz MSAVHWQBPLBJSC-AXFHLTTASA-N 0 3 296.371 -1.318 20 0 CAADHN CC[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001481498245 892601863 /nfs/dbraw/zinc/60/18/63/892601863.db2.gz PZJLFNQRTMTWNO-DTWKUNHWSA-N 0 3 270.333 -1.484 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001481631270 892613247 /nfs/dbraw/zinc/61/32/47/892613247.db2.gz VRKBOKYNFZXBJE-JTQLQIEISA-N 0 3 287.360 -1.447 20 0 CAADHN C[C@H](C(=O)NCC1CN(CCCO)C1)N1C(=O)CCC1=O ZINC001481628498 892614067 /nfs/dbraw/zinc/61/40/67/892614067.db2.gz UVQNRZOERLASQK-SNVBAGLBSA-N 0 3 297.355 -1.046 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)CNC(=O)OC)C1 ZINC001481616912 892614643 /nfs/dbraw/zinc/61/46/43/892614643.db2.gz QZPMCBQOGXBWPZ-JTQLQIEISA-N 0 3 289.332 -1.602 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC001481610179 892615181 /nfs/dbraw/zinc/61/51/81/892615181.db2.gz DYZAECJYUDNFCU-ZDUSSCGKSA-N 0 3 295.339 -1.011 20 0 CAADHN CO[C@@H](C)CN1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001481633290 892616684 /nfs/dbraw/zinc/61/66/84/892616684.db2.gz UBCHFPBTHVMRHG-JTQLQIEISA-N 0 3 297.359 -1.335 20 0 CAADHN CNC(=O)C1(C(=O)NCC2CN(C[C@H](O)COC)C2)CC1 ZINC001481651147 892616794 /nfs/dbraw/zinc/61/67/94/892616794.db2.gz SLAQKSWRNWFWCJ-NSHDSACASA-N 0 3 299.371 -1.432 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001481658496 892617009 /nfs/dbraw/zinc/61/70/09/892617009.db2.gz DOVHQMHNWSRHMZ-MRVPVSSYSA-N 0 3 284.316 -2.033 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001481654024 892617175 /nfs/dbraw/zinc/61/71/75/892617175.db2.gz GFFTYQZGSWSWOP-SECBINFHSA-N 0 3 298.343 -1.691 20 0 CAADHN CNC(=O)C1(C(=O)NCC2CN(C[C@H](C)O)C2)CC1 ZINC001481650333 892617774 /nfs/dbraw/zinc/61/77/74/892617774.db2.gz GMIRBIISEGXBQF-VIFPVBQESA-N 0 3 269.345 -1.059 20 0 CAADHN CCN1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001481646741 892617891 /nfs/dbraw/zinc/61/78/91/892617891.db2.gz PXYIBCGBTCMKBF-MRVPVSSYSA-N 0 3 263.363 -1.008 20 0 CAADHN CO[C@H](C)CN1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001481633291 892618304 /nfs/dbraw/zinc/61/83/04/892618304.db2.gz UBCHFPBTHVMRHG-SNVBAGLBSA-N 0 3 297.359 -1.335 20 0 CAADHN CCN1CC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001481693735 892620020 /nfs/dbraw/zinc/62/00/20/892620020.db2.gz OBHWMQUFLQSJLC-UWVGGRQHSA-N 0 3 270.333 -1.423 20 0 CAADHN NC(=O)C1(C(=O)N[C@H]2CCN(CCCO)C2)CC1 ZINC001481693007 892620278 /nfs/dbraw/zinc/62/02/78/892620278.db2.gz REBKKLKBJYNRBL-VIFPVBQESA-N 0 3 255.318 -1.175 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001481692410 892620668 /nfs/dbraw/zinc/62/06/68/892620668.db2.gz MMTOYKUXYOEKHZ-UWVGGRQHSA-N 0 3 270.333 -1.105 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C[C@H]1CN2C(C)C ZINC001481674858 892621208 /nfs/dbraw/zinc/62/12/08/892621208.db2.gz YXZSGRDKJMJTOG-RYUDHWBXSA-N 0 3 296.371 -1.068 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001481694482 892622010 /nfs/dbraw/zinc/62/20/10/892622010.db2.gz ABELHEGHYCBHEI-ZJUUUORDSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001481700973 892624004 /nfs/dbraw/zinc/62/40/04/892624004.db2.gz JGVIYAXTMFCPLD-XHNCKOQMSA-N 0 3 258.322 -1.386 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)CC(N)=O)C1 ZINC001481723541 892625036 /nfs/dbraw/zinc/62/50/36/892625036.db2.gz ZKRPXXCDODYGRI-NXEZZACHSA-N 0 3 273.333 -1.598 20 0 CAADHN CCN(C(=O)Cn1cnnn1)[C@@H]1CCN(CCCO)C1 ZINC001481757618 892625612 /nfs/dbraw/zinc/62/56/12/892625612.db2.gz NFNPVHNRGADWIU-LLVKDONJSA-N 0 3 282.348 -1.022 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](CC)N[C@@H]1CCNC1=O ZINC001481796900 892626608 /nfs/dbraw/zinc/62/66/08/892626608.db2.gz FTQIZOOLBDFMNE-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](C)NC(C)=O)NCC(N)=O ZINC001481786634 892626632 /nfs/dbraw/zinc/62/66/32/892626632.db2.gz LPQVLXNZJVFJFZ-VXNVDRBHSA-N 0 3 258.322 -1.519 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)N1CCC1 ZINC001481805677 892626737 /nfs/dbraw/zinc/62/67/37/892626737.db2.gz SNBXQQLSKCXNCF-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)OC)NCC(=O)NC(=O)NC ZINC001481793764 892626819 /nfs/dbraw/zinc/62/68/19/892626819.db2.gz JHOYEOMQHWUXKJ-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](C)OC)NCC(=O)NC(=O)NC ZINC001481793766 892626904 /nfs/dbraw/zinc/62/69/04/892626904.db2.gz JHOYEOMQHWUXKJ-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@@H](CNC(=O)c1cnc[n-]c1=O)[NH2+]CC(N)=O ZINC001481822330 892627194 /nfs/dbraw/zinc/62/71/94/892627194.db2.gz IKNHWNWPSLFLEQ-ZETCQYMHSA-N 0 3 267.289 -1.235 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)NCc1n[nH]c(C)n1 ZINC001481791341 892627233 /nfs/dbraw/zinc/62/72/33/892627233.db2.gz WZHOHMFXQNSPIU-SECBINFHSA-N 0 3 293.335 -1.216 20 0 CAADHN CC[C@@H](CNC(=O)CC(N)=O)N[C@H](C)C(=O)N(C)C ZINC001481798607 892627315 /nfs/dbraw/zinc/62/73/15/892627315.db2.gz SMDOIVMFEMGCLO-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)NCC(N)=O ZINC001481825245 892627467 /nfs/dbraw/zinc/62/74/67/892627467.db2.gz DXJOMDOVJQELRO-QMMMGPOBSA-N 0 3 284.320 -2.449 20 0 CAADHN CC[C@H](CNC(=O)CS(C)(=O)=O)N[C@H](C)C(=O)NC ZINC001481795465 892627658 /nfs/dbraw/zinc/62/76/58/892627658.db2.gz ZGCCTQPHSXFFPW-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN CC[C@@H](CNC(=O)C(=O)NCC(F)F)N[C@H](C)C(N)=O ZINC001481828127 892627896 /nfs/dbraw/zinc/62/78/96/892627896.db2.gz QDDDDJBOVCKODX-RQJHMYQMSA-N 0 3 294.302 -1.274 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H](C)OC)NCC(=O)NC(=O)NC ZINC001481793763 892627930 /nfs/dbraw/zinc/62/79/30/892627930.db2.gz JHOYEOMQHWUXKJ-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@H](CNC(=O)C1=COCCO1)NCC(N)=O ZINC001481786692 892627967 /nfs/dbraw/zinc/62/79/67/892627967.db2.gz MCWLLIHIQBYHCS-MRVPVSSYSA-N 0 3 257.290 -1.156 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncn(C)c1=O)NCC(N)=O ZINC001481825244 892627978 /nfs/dbraw/zinc/62/79/78/892627978.db2.gz DXJOMDOVJQELRO-MRVPVSSYSA-N 0 3 284.320 -2.449 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)NCc1n[nH]c(C)n1 ZINC001481791349 892628122 /nfs/dbraw/zinc/62/81/22/892628122.db2.gz WZHOHMFXQNSPIU-VIFPVBQESA-N 0 3 293.335 -1.216 20 0 CAADHN CC[C@@H](CNC(=O)c1cnn(C)c1N)NCC(=O)NC ZINC001481803598 892628322 /nfs/dbraw/zinc/62/83/22/892628322.db2.gz OQTJZJNOWRJRIG-QMMMGPOBSA-N 0 3 282.348 -1.154 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](CC)N[C@@H](C)C(N)=O ZINC001481798064 892628387 /nfs/dbraw/zinc/62/83/87/892628387.db2.gz MXBUZRNBLUFWIR-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@H](CNC(=O)CC(N)=O)N[C@@H](C)C(=O)N(C)C ZINC001481798609 892628557 /nfs/dbraw/zinc/62/85/57/892628557.db2.gz SMDOIVMFEMGCLO-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@H](CNC(=O)CCNC(=O)NC)N[C@H]1CCNC1=O ZINC001481808102 892628516 /nfs/dbraw/zinc/62/85/16/892628516.db2.gz RGCNHQMPHXPUOV-ZJUUUORDSA-N 0 3 299.375 -1.322 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)NCC(N)=O ZINC001481842055 892628691 /nfs/dbraw/zinc/62/86/91/892628691.db2.gz UJNQBJNTZMTFGQ-LURJTMIESA-N 0 3 255.282 -2.207 20 0 CAADHN C[C@H](CNCCS(C)(=O)=O)N(C)C(=O)CC(N)=O ZINC001482264089 892642244 /nfs/dbraw/zinc/64/22/44/892642244.db2.gz BXIIRAXUSNWIHU-MRVPVSSYSA-N 0 3 279.362 -1.657 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001481919407 892630058 /nfs/dbraw/zinc/63/00/58/892630058.db2.gz QMCOVVFOSHPQFE-AMIZOPFISA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NCC(N)=O ZINC001481850888 892630088 /nfs/dbraw/zinc/63/00/88/892630088.db2.gz PRHWQFFTCPLMAC-UTLUCORTSA-N 0 3 284.360 -1.142 20 0 CAADHN CN1CCO[C@@H](C(=O)NC2(CNCC(N)=O)CCCC2)C1 ZINC001481892089 892630213 /nfs/dbraw/zinc/63/02/13/892630213.db2.gz YIEKWZFFTOVDKP-LLVKDONJSA-N 0 3 298.387 -1.179 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCc2nncn2C1)NCC(N)=O ZINC001481880788 892630319 /nfs/dbraw/zinc/63/03/19/892630319.db2.gz HCTNLTNEMMRVDB-ZJUUUORDSA-N 0 3 294.359 -1.190 20 0 CAADHN CC[C@H](CNC(=O)C1(C(=O)NC)CC1)NCC(=O)NC ZINC001481859851 892630607 /nfs/dbraw/zinc/63/06/07/892630607.db2.gz LZQDLRIGKXDVMZ-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](CNC(=O)Cc1cncn1C)NCC(N)=O ZINC001481873086 892630648 /nfs/dbraw/zinc/63/06/48/892630648.db2.gz ZWIFOLLFIXAYEE-VIFPVBQESA-N 0 3 267.333 -1.068 20 0 CAADHN CC[C@H](CNC(=O)c1cn(C)c(=O)n1C)NCC(N)=O ZINC001481882822 892630776 /nfs/dbraw/zinc/63/07/76/892630776.db2.gz RBSOTOLUNPCSEF-MRVPVSSYSA-N 0 3 283.332 -1.693 20 0 CAADHN CC[C@H](CNC(=O)Cc1cncn1C)NCC(N)=O ZINC001481873085 892630912 /nfs/dbraw/zinc/63/09/12/892630912.db2.gz ZWIFOLLFIXAYEE-SECBINFHSA-N 0 3 267.333 -1.068 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NCC(=O)NC(C)(C)C ZINC001481850008 892630930 /nfs/dbraw/zinc/63/09/30/892630930.db2.gz PSSCKRXZQFMEKQ-QMMMGPOBSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)CN1C(=O)CCC1=O)N[C@@H](C)C(N)=O ZINC001481877615 892630961 /nfs/dbraw/zinc/63/09/61/892630961.db2.gz RGSUXJRHDFYQOE-IUCAKERBSA-N 0 3 298.343 -1.506 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NC1CC1 ZINC001481845256 892631032 /nfs/dbraw/zinc/63/10/32/892631032.db2.gz CFHUVTTWNSOLJZ-WCBMZHEXSA-N 0 3 297.359 -1.569 20 0 CAADHN Cn1nnc(C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)n1 ZINC001481936699 892631109 /nfs/dbraw/zinc/63/11/09/892631109.db2.gz FNNWXXRCWWSQOA-NSHDSACASA-N 0 3 281.320 -1.817 20 0 CAADHN Cn1nnc(C(=O)N[C@](C)(CNCC(N)=O)C2CC2)n1 ZINC001481936698 892631274 /nfs/dbraw/zinc/63/12/74/892631274.db2.gz FNNWXXRCWWSQOA-LLVKDONJSA-N 0 3 281.320 -1.817 20 0 CAADHN C[C@@](CNCC(=O)NCC1CC1)(NC(=O)C(N)=O)C1CC1 ZINC001481938766 892631308 /nfs/dbraw/zinc/63/13/08/892631308.db2.gz FVTRWEHRYBDHQE-AWEZNQCLSA-N 0 3 296.371 -1.128 20 0 CAADHN CC[C@@H](CNC(=O)CN1C(=O)CNC1=O)NCC(=O)NC ZINC001481876002 892631483 /nfs/dbraw/zinc/63/14/83/892631483.db2.gz MWDKONLWWBEHNJ-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NC1CC1 ZINC001481845257 892631697 /nfs/dbraw/zinc/63/16/97/892631697.db2.gz CFHUVTTWNSOLJZ-WPRPVWTQSA-N 0 3 297.359 -1.569 20 0 CAADHN CC[C@@H](CNC(=O)C1(C(=O)NC)CC1)NCC(N)=O ZINC001481859770 892631727 /nfs/dbraw/zinc/63/17/27/892631727.db2.gz KKGJYZPXWPZQBN-QMMMGPOBSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](CNC(=O)c1ccc(=O)n(CC)n1)NCC(N)=O ZINC001481860979 892631767 /nfs/dbraw/zinc/63/17/67/892631767.db2.gz BNBUREZKFUECJC-SECBINFHSA-N 0 3 295.343 -1.154 20 0 CAADHN CC[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@@H](C)C(N)=O ZINC001481846073 892631914 /nfs/dbraw/zinc/63/19/14/892631914.db2.gz SBRDISLVMZJWFC-YUMQZZPRSA-N 0 3 281.316 -1.258 20 0 CAADHN C[C@@H]1CCCC[C@]1(CNCC(N)=O)NC(=O)C(N)=O ZINC001481961637 892634092 /nfs/dbraw/zinc/63/40/92/892634092.db2.gz OAZMZDITSJKCBB-PRHODGIISA-N 0 3 270.333 -1.388 20 0 CAADHN CN1CCC[C@@H](NC[C@@](C)(NC(=O)C(N)=O)C2CC2)C1=O ZINC001481940060 892634128 /nfs/dbraw/zinc/63/41/28/892634128.db2.gz SRCJNAJHEJKOTE-QMTHXVAHSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)C(=O)NCCC1CCN(CC(=O)N2CCC2)CC1 ZINC001482046633 892634227 /nfs/dbraw/zinc/63/42/27/892634227.db2.gz NHJHSZVALNSZOF-UHFFFAOYSA-N 0 3 296.371 -1.078 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]1CNCC(=O)NC1CC1 ZINC001482062748 892634356 /nfs/dbraw/zinc/63/43/56/892634356.db2.gz WYFQFPBPEQFUFM-SECBINFHSA-N 0 3 268.317 -1.669 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)CCNC(N)=O)C1CC1 ZINC001481953476 892634623 /nfs/dbraw/zinc/63/46/23/892634623.db2.gz YKYLPIJZSPAMEG-CYBMUJFWSA-N 0 3 299.375 -1.335 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001481942123 892634722 /nfs/dbraw/zinc/63/47/22/892634722.db2.gz GUZYJORCEWDQBF-ISTVAULSSA-N 0 3 296.371 -1.272 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001482057039 892634846 /nfs/dbraw/zinc/63/48/46/892634846.db2.gz KTIVPTUZPOXBHL-HRDYMLBCSA-N 0 3 285.348 -1.502 20 0 CAADHN C[C@H](CNCc1ccn(C)n1)CNC(=O)C(N)=O ZINC001482139624 892636487 /nfs/dbraw/zinc/63/64/87/892636487.db2.gz ZCLYFXOEACMMMV-MRVPVSSYSA-N 0 3 253.306 -1.253 20 0 CAADHN C[C@@H](CNCc1ccn(C)n1)CNC(=O)C(N)=O ZINC001482139625 892637205 /nfs/dbraw/zinc/63/72/05/892637205.db2.gz ZCLYFXOEACMMMV-QMMMGPOBSA-N 0 3 253.306 -1.253 20 0 CAADHN CC[C@@H](NC[C@@H](C)N(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001482262614 892641337 /nfs/dbraw/zinc/64/13/37/892641337.db2.gz XZDKFYOGUWZROA-RKDXNWHRSA-N 0 3 293.389 -1.269 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)CS(C)(=O)=O ZINC001482257742 892641388 /nfs/dbraw/zinc/64/13/88/892641388.db2.gz BOQQTMREKJSOSH-SECBINFHSA-N 0 3 293.389 -1.444 20 0 CAADHN CC[C@@H](NC[C@H](C)N(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001482262609 892641641 /nfs/dbraw/zinc/64/16/41/892641641.db2.gz XZDKFYOGUWZROA-DTWKUNHWSA-N 0 3 293.389 -1.269 20 0 CAADHN NC(=O)NCCC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001482246528 892641681 /nfs/dbraw/zinc/64/16/81/892641681.db2.gz MVEHCJORPOEDNN-UHFFFAOYSA-N 0 3 284.360 -1.039 20 0 CAADHN CCC(=O)N(C)[C@H](C)CNCC(=O)N1CCNC(=O)C1 ZINC001482246557 892641969 /nfs/dbraw/zinc/64/19/69/892641969.db2.gz CJUBZXZNKRQZMU-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCCC1 ZINC001482230331 892641995 /nfs/dbraw/zinc/64/19/95/892641995.db2.gz QLOZFKAQZYBJOY-BDAKNGLRSA-N 0 3 282.344 -1.388 20 0 CAADHN CCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCNC(=O)C1 ZINC001482246555 892642024 /nfs/dbraw/zinc/64/20/24/892642024.db2.gz CJUBZXZNKRQZMU-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CN1CCCC1=O ZINC001482255111 892642050 /nfs/dbraw/zinc/64/20/50/892642050.db2.gz SVGGXGFHZNJFKC-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN Cc1nc(CNC[C@H](C)N(C)C(=O)CC(N)=O)n[nH]1 ZINC001482265545 892642170 /nfs/dbraw/zinc/64/21/70/892642170.db2.gz LWQJZNBRNBSCQY-ZETCQYMHSA-N 0 3 268.321 -1.075 20 0 CAADHN C[C@@H](CNCCNS(C)(=O)=O)N(C)C(=O)CC(N)=O ZINC001482265699 892642377 /nfs/dbraw/zinc/64/23/77/892642377.db2.gz MUJMCOGCRPNZQF-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CC[C@H](NC[C@@H](C)N(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001482262603 892642535 /nfs/dbraw/zinc/64/25/35/892642535.db2.gz XZDKFYOGUWZROA-BDAKNGLRSA-N 0 3 293.389 -1.269 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)CS(C)(=O)=O ZINC001482257746 892643030 /nfs/dbraw/zinc/64/30/30/892643030.db2.gz BOQQTMREKJSOSH-VIFPVBQESA-N 0 3 293.389 -1.444 20 0 CAADHN C[C@H](CNCCNS(C)(=O)=O)N(C)C(=O)CC(N)=O ZINC001482265697 892643426 /nfs/dbraw/zinc/64/34/26/892643426.db2.gz MUJMCOGCRPNZQF-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@@H](CC(=O)N(C)[C@@H](C)CNCC(N)=O)NC(N)=O ZINC001482282957 892644944 /nfs/dbraw/zinc/64/49/44/892644944.db2.gz BIYRRLPZCUYKRV-YUMQZZPRSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)Cn1ncnn1 ZINC001482283902 892644813 /nfs/dbraw/zinc/64/48/13/892644813.db2.gz RIISGTFGJGSDTO-ZJUUUORDSA-N 0 3 295.347 -1.660 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001482322345 892644830 /nfs/dbraw/zinc/64/48/30/892644830.db2.gz CJFALRXTOJXHJD-RKDXNWHRSA-N 0 3 293.327 -1.292 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C1(C(N)=O)CC1 ZINC001482324185 892645181 /nfs/dbraw/zinc/64/51/81/892645181.db2.gz ACJSTHQPTAFCHP-SECBINFHSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001482280932 892646051 /nfs/dbraw/zinc/64/60/51/892646051.db2.gz VBDVJIBNOFAARR-NKWVEPMBSA-N 0 3 258.278 -1.983 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001482299749 892646257 /nfs/dbraw/zinc/64/62/57/892646257.db2.gz SXSLLJJKVFJZQG-RKDXNWHRSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)Cn1ncnn1 ZINC001482283560 892646200 /nfs/dbraw/zinc/64/62/00/892646200.db2.gz NRBPSMWUWHLYCI-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001482280931 892646276 /nfs/dbraw/zinc/64/62/76/892646276.db2.gz VBDVJIBNOFAARR-BQBZGAKWSA-N 0 3 258.278 -1.983 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001482299746 892646309 /nfs/dbraw/zinc/64/63/09/892646309.db2.gz SXSLLJJKVFJZQG-DTWKUNHWSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001482322342 892646383 /nfs/dbraw/zinc/64/63/83/892646383.db2.gz CJFALRXTOJXHJD-BDAKNGLRSA-N 0 3 293.327 -1.292 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001482280934 892646608 /nfs/dbraw/zinc/64/66/08/892646608.db2.gz VBDVJIBNOFAARR-RQJHMYQMSA-N 0 3 258.278 -1.983 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1cnnn1C ZINC001482278090 892646619 /nfs/dbraw/zinc/64/66/19/892646619.db2.gz QRKSXKYAOCEKNI-QMMMGPOBSA-N 0 3 268.321 -1.389 20 0 CAADHN COCCOCC(=O)N(C)[C@@H](C)CN[C@H]1CCNC1=O ZINC001482266529 892646844 /nfs/dbraw/zinc/64/68/44/892646844.db2.gz NWZWXNNVRAQIGU-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CN1CCCCC1=O ZINC001482303470 892647051 /nfs/dbraw/zinc/64/70/51/892647051.db2.gz CPMMTWZSYYFPAJ-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN COCCOCC(=O)N(C)[C@H](C)CN[C@H]1CCNC1=O ZINC001482266527 892647082 /nfs/dbraw/zinc/64/70/82/892647082.db2.gz NWZWXNNVRAQIGU-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCn1cnnn1 ZINC001482343748 892648399 /nfs/dbraw/zinc/64/83/99/892648399.db2.gz JJYSCRSCXLHLQF-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)c1nc[n-]n1 ZINC001482341719 892648432 /nfs/dbraw/zinc/64/84/32/892648432.db2.gz AGSFAPITNHGTAO-JGVFFNPUSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@H](C[NH2+][C@@H]1CCNC1=O)N(C)C(=O)c1nc[n-]n1 ZINC001482341718 892648437 /nfs/dbraw/zinc/64/84/37/892648437.db2.gz AGSFAPITNHGTAO-HTQZYQBOSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@]1(C)CCNC1=O ZINC001482329518 892648454 /nfs/dbraw/zinc/64/84/54/892648454.db2.gz GFWYORWHJSRMEE-QPUJVOFHSA-N 0 3 270.333 -1.566 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](NCC(N)=O)C(C)C)C1 ZINC001482525889 892648477 /nfs/dbraw/zinc/64/84/77/892648477.db2.gz KUIXWVMHMBZESN-LLVKDONJSA-N 0 3 284.360 -1.320 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CS(C)(=O)=O)C(C)C ZINC001482516127 892648705 /nfs/dbraw/zinc/64/87/05/892648705.db2.gz BLCFTZHGWHDKEU-VIFPVBQESA-N 0 3 293.389 -1.493 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001482348906 892648849 /nfs/dbraw/zinc/64/88/49/892648849.db2.gz SCXHEIYYDDSWQE-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001482372492 892649001 /nfs/dbraw/zinc/64/90/01/892649001.db2.gz IUIZNBHSLPALID-SSDOTTSWSA-N 0 3 296.331 -1.037 20 0 CAADHN CC(C)C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1cnnn1 ZINC001482376544 892649098 /nfs/dbraw/zinc/64/90/98/892649098.db2.gz PFBAJNKCIBHHSQ-UWVGGRQHSA-N 0 3 297.363 -1.333 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001482372494 892649606 /nfs/dbraw/zinc/64/96/06/892649606.db2.gz IUIZNBHSLPALID-ZETCQYMHSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCc2nncn2C1 ZINC001482367758 892649625 /nfs/dbraw/zinc/64/96/25/892649625.db2.gz KCSDYTMZJBRCBW-NXEZZACHSA-N 0 3 294.359 -1.238 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cn1cncn1 ZINC001482359978 892649729 /nfs/dbraw/zinc/64/97/29/892649729.db2.gz DLNXUJDMZVUEFH-MRVPVSSYSA-N 0 3 297.319 -2.091 20 0 CAADHN C[C@H](CS(C)(=O)=O)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001482370275 892649954 /nfs/dbraw/zinc/64/99/54/892649954.db2.gz UJONXAFCOCEBRW-BDAKNGLRSA-N 0 3 293.389 -1.411 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001482421996 892650308 /nfs/dbraw/zinc/65/03/08/892650308.db2.gz CRMVCTFVBKMZSO-RKDXNWHRSA-N 0 3 280.332 -1.009 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H](NCC(N)=O)C(C)C ZINC001482573107 892651766 /nfs/dbraw/zinc/65/17/66/892651766.db2.gz UECKMJXUAFTNRD-QMMMGPOBSA-N 0 3 294.377 -2.249 20 0 CAADHN CCC[C@@H](C(=O)N(C)CCN(C)CCO)S(N)(=O)=O ZINC001482616452 892651808 /nfs/dbraw/zinc/65/18/08/892651808.db2.gz SNCYLFAOHOVGDN-JTQLQIEISA-N 0 3 295.405 -1.174 20 0 CAADHN COCCN(C)CCN(C)C(=O)Cn1cnnn1 ZINC001482578695 892652127 /nfs/dbraw/zinc/65/21/27/892652127.db2.gz ZVACLNBBGZJGJK-UHFFFAOYSA-N 0 3 256.310 -1.290 20 0 CAADHN CC(C)[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(N)=O ZINC001482550772 892652354 /nfs/dbraw/zinc/65/23/54/892652354.db2.gz SOIWXIANEGEAMR-MRVPVSSYSA-N 0 3 281.316 -1.401 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CCN(C)C[C@@H](C)O ZINC001482616491 892652797 /nfs/dbraw/zinc/65/27/97/892652797.db2.gz VDDCNPBLSWHDPM-SECBINFHSA-N 0 3 296.393 -2.189 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CCN(C)C[C@H](C)O ZINC001482616492 892653490 /nfs/dbraw/zinc/65/34/90/892653490.db2.gz VDDCNPBLSWHDPM-VIFPVBQESA-N 0 3 296.393 -2.189 20 0 CAADHN CC(C)[C@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(N)=O ZINC001482550773 892653510 /nfs/dbraw/zinc/65/35/10/892653510.db2.gz SOIWXIANEGEAMR-QMMMGPOBSA-N 0 3 281.316 -1.401 20 0 CAADHN CCC[C@H](C(=O)N(C)CCN(C)CCO)S(N)(=O)=O ZINC001482616453 892654265 /nfs/dbraw/zinc/65/42/65/892654265.db2.gz SNCYLFAOHOVGDN-SNVBAGLBSA-N 0 3 295.405 -1.174 20 0 CAADHN CN(CCCO)CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001482616042 892654418 /nfs/dbraw/zinc/65/44/18/892654418.db2.gz KWTCPKNXXARREQ-UHFFFAOYSA-N 0 3 299.375 -1.256 20 0 CAADHN CN(CCO)CCN(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001482648137 892655453 /nfs/dbraw/zinc/65/54/53/892655453.db2.gz VHLCBEUNPBFRSN-SECBINFHSA-N 0 3 286.332 -1.643 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)C(F)F ZINC001482700662 892656389 /nfs/dbraw/zinc/65/63/89/892656389.db2.gz AGBMRFJTGSDNHP-ZETCQYMHSA-N 0 3 267.276 -1.156 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001482700271 892657300 /nfs/dbraw/zinc/65/73/00/892657300.db2.gz CREAGTIGDSQRAO-RKDXNWHRSA-N 0 3 272.305 -2.922 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001482700270 892657480 /nfs/dbraw/zinc/65/74/80/892657480.db2.gz CREAGTIGDSQRAO-IUCAKERBSA-N 0 3 272.305 -2.922 20 0 CAADHN CN(CCN(C)C(=O)Cc1ncn[nH]1)CC(=O)N1CCC1 ZINC001482641041 892657524 /nfs/dbraw/zinc/65/75/24/892657524.db2.gz LWWPQIYNCXAAFE-UHFFFAOYSA-N 0 3 294.359 -1.030 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](O)CNC(=O)CC ZINC001482697094 892657788 /nfs/dbraw/zinc/65/77/88/892657788.db2.gz DNNZSGMTPKDAEE-QMMMGPOBSA-N 0 3 274.321 -1.691 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001482628148 892657967 /nfs/dbraw/zinc/65/79/67/892657967.db2.gz FYCJZBUSQCCUJM-BBBLOLIVSA-N 0 3 257.334 -1.121 20 0 CAADHN CN(CCCO)CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001482651916 892658021 /nfs/dbraw/zinc/65/80/21/892658021.db2.gz MQRCJYJHSZTJLM-UHFFFAOYSA-N 0 3 298.347 -1.850 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CNC(=O)CCOC)C1=O ZINC001482700782 892658215 /nfs/dbraw/zinc/65/82/15/892658215.db2.gz BBNOSISLACVMNX-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001482704503 892659487 /nfs/dbraw/zinc/65/94/87/892659487.db2.gz BLBZWDSFJLJTMZ-ZETCQYMHSA-N 0 3 283.288 -2.392 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)C1=COCCO1 ZINC001482705437 892659585 /nfs/dbraw/zinc/65/95/85/892659585.db2.gz SXUNNFHZXBYOCR-UWVGGRQHSA-N 0 3 299.327 -1.780 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C1CC1 ZINC001482702177 892659600 /nfs/dbraw/zinc/65/96/00/892659600.db2.gz JZOLRRDXHVEFHW-MRVPVSSYSA-N 0 3 272.305 -2.081 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001482701713 892659678 /nfs/dbraw/zinc/65/96/78/892659678.db2.gz RNGURWSSZISXAY-VHSXEESVSA-N 0 3 286.332 -2.532 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001482701715 892660163 /nfs/dbraw/zinc/66/01/63/892660163.db2.gz RNGURWSSZISXAY-ZJUUUORDSA-N 0 3 286.332 -2.532 20 0 CAADHN COCCC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001482703528 892660222 /nfs/dbraw/zinc/66/02/22/892660222.db2.gz UKXJHJADJLKGDG-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)C1=COCCO1 ZINC001482705439 892660287 /nfs/dbraw/zinc/66/02/87/892660287.db2.gz SXUNNFHZXBYOCR-ZJUUUORDSA-N 0 3 299.327 -1.780 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1CC1)NC1CCOCC1 ZINC001482703543 892660437 /nfs/dbraw/zinc/66/04/37/892660437.db2.gz UMYXJCQDCWZBPM-LBPRGKRZSA-N 0 3 299.371 -1.242 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnc(C)cn1 ZINC001482705739 892660450 /nfs/dbraw/zinc/66/04/50/892660450.db2.gz XSXNCZBSLWFSGM-VHSXEESVSA-N 0 3 295.343 -1.400 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](O)CNCc1cccnc1 ZINC001482704404 892660509 /nfs/dbraw/zinc/66/05/09/892660509.db2.gz ALJFRZKNVDAEDL-NSHDSACASA-N 0 3 291.315 -1.665 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1cccs1 ZINC001482702261 892660879 /nfs/dbraw/zinc/66/08/79/892660879.db2.gz KMAIFAJKYDFFCG-QMMMGPOBSA-N 0 3 271.342 -1.157 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C(F)F)C(=O)NC(N)=O ZINC001482703764 892660961 /nfs/dbraw/zinc/66/09/61/892660961.db2.gz VWFCFHZTXQAJRK-CRCLSJGQSA-N 0 3 282.247 -2.098 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnc(C)cn1 ZINC001482705740 892660977 /nfs/dbraw/zinc/66/09/77/892660977.db2.gz XSXNCZBSLWFSGM-ZJUUUORDSA-N 0 3 295.343 -1.400 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CNCC(=O)N1CCCC1 ZINC001482705776 892661191 /nfs/dbraw/zinc/66/11/91/892661191.db2.gz YMSGFARXLAQUDT-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN CS(=O)(=O)CCNC[C@H](O)CNC(=O)C1CC1 ZINC001482703418 892661221 /nfs/dbraw/zinc/66/12/21/892661221.db2.gz UBXRDCDOGWPTOF-VIFPVBQESA-N 0 3 264.347 -1.492 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](O)CNCc1cccnc1 ZINC001482704400 892661298 /nfs/dbraw/zinc/66/12/98/892661298.db2.gz ALJFRZKNVDAEDL-LLVKDONJSA-N 0 3 291.315 -1.665 20 0 CAADHN CC(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001482704101 892661442 /nfs/dbraw/zinc/66/14/42/892661442.db2.gz YJZDQWRHLFMGBP-XCBNKYQSSA-N 0 3 286.332 -1.550 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C(F)F)C(=O)NC(N)=O ZINC001482703771 892661461 /nfs/dbraw/zinc/66/14/61/892661461.db2.gz VWFCFHZTXQAJRK-WHFBIAKZSA-N 0 3 282.247 -2.098 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CNCC(=O)NC)[nH]n1 ZINC001482710287 892662614 /nfs/dbraw/zinc/66/26/14/892662614.db2.gz VZRZWTJKEJWYCQ-VIFPVBQESA-N 0 3 283.332 -1.602 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001482709806 892662631 /nfs/dbraw/zinc/66/26/31/892662631.db2.gz VMILYDWZIARBAX-GFCCVEGCSA-N 0 3 292.343 -1.117 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)on1 ZINC001482707776 892662670 /nfs/dbraw/zinc/66/26/70/892662670.db2.gz QSQGVVPBKMHQGL-BDAKNGLRSA-N 0 3 282.300 -1.448 20 0 CAADHN CCO[C@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001482707996 892662692 /nfs/dbraw/zinc/66/26/92/892662692.db2.gz FIPPFVZHGLHJKK-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cn1cccn1 ZINC001482707097 892662748 /nfs/dbraw/zinc/66/27/48/892662748.db2.gz LJUFLQAAUMEYIZ-ZJUUUORDSA-N 0 3 283.332 -1.916 20 0 CAADHN CC(C)(C)CC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001482707291 892662843 /nfs/dbraw/zinc/66/28/43/892662843.db2.gz ABNNFTLPSUXBBU-QMMMGPOBSA-N 0 3 288.348 -1.316 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CNCC(=O)NC)[nH]n1 ZINC001482710286 892663100 /nfs/dbraw/zinc/66/31/00/892663100.db2.gz VZRZWTJKEJWYCQ-SECBINFHSA-N 0 3 283.332 -1.602 20 0 CAADHN Cc1cccc(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001482707814 892663209 /nfs/dbraw/zinc/66/32/09/892663209.db2.gz DHDBKBXFHBAQMK-SECBINFHSA-N 0 3 266.301 -1.444 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001482707096 892663363 /nfs/dbraw/zinc/66/33/63/892663363.db2.gz LJUFLQAAUMEYIZ-VHSXEESVSA-N 0 3 283.332 -1.916 20 0 CAADHN Cc1occc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001482706214 892663692 /nfs/dbraw/zinc/66/36/92/892663692.db2.gz UJNWEHJDBUAFNO-MRVPVSSYSA-N 0 3 255.274 -1.246 20 0 CAADHN CCO[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001482707998 892663715 /nfs/dbraw/zinc/66/37/15/892663715.db2.gz FIPPFVZHGLHJKK-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001482706799 892663737 /nfs/dbraw/zinc/66/37/37/892663737.db2.gz ZLSIVEVBPQGJKL-WCBMZHEXSA-N 0 3 288.348 -2.334 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccn[nH]1)C(=O)N(C)C ZINC001482709019 892663786 /nfs/dbraw/zinc/66/37/86/892663786.db2.gz LQGOBRJAHVPMRL-RKDXNWHRSA-N 0 3 283.332 -1.433 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)on1 ZINC001482707782 892664257 /nfs/dbraw/zinc/66/42/57/892664257.db2.gz QSQGVVPBKMHQGL-DTWKUNHWSA-N 0 3 282.300 -1.448 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnn(C)c1C ZINC001482709335 892664412 /nfs/dbraw/zinc/66/44/12/892664412.db2.gz QFBLBLNMXGYMSZ-WPRPVWTQSA-N 0 3 297.359 -1.457 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)cnn1C ZINC001482708967 892664510 /nfs/dbraw/zinc/66/45/10/892664510.db2.gz MPCWCTTULXXYIG-MWLCHTKSSA-N 0 3 295.343 -1.703 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)on1 ZINC001482707786 892664522 /nfs/dbraw/zinc/66/45/22/892664522.db2.gz QSQGVVPBKMHQGL-RKDXNWHRSA-N 0 3 282.300 -1.448 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)cnn1C ZINC001482708966 892664573 /nfs/dbraw/zinc/66/45/73/892664573.db2.gz MPCWCTTULXXYIG-KOLCDFICSA-N 0 3 295.343 -1.703 20 0 CAADHN Cn1cccc1C(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001482709182 892664595 /nfs/dbraw/zinc/66/45/95/892664595.db2.gz PMXCRONYIBQKJQ-MNOVXSKESA-N 0 3 294.355 -1.064 20 0 CAADHN CC(C)(C)CC(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001482707287 892664646 /nfs/dbraw/zinc/66/46/46/892664646.db2.gz ABNNFTLPSUXBBU-MRVPVSSYSA-N 0 3 288.348 -1.316 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)on1 ZINC001482709377 892664731 /nfs/dbraw/zinc/66/47/31/892664731.db2.gz ZGSATAIOVLIBDT-ZETCQYMHSA-N 0 3 256.262 -1.851 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC)[nH]n1 ZINC001482707483 892664811 /nfs/dbraw/zinc/66/48/11/892664811.db2.gz BHIBBNOPDHAKLR-SCZZXKLOSA-N 0 3 297.359 -1.213 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ccon2)C1=O ZINC001482711034 892665866 /nfs/dbraw/zinc/66/58/66/892665866.db2.gz JLZRRHXZVPGHQI-MWLCHTKSSA-N 0 3 296.327 -1.024 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cocn1)C(N)=O ZINC001482712806 892665937 /nfs/dbraw/zinc/66/59/37/892665937.db2.gz HABUYOFUHSWNBI-SFYZADRCSA-N 0 3 270.289 -1.381 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cocn1 ZINC001482712598 892665984 /nfs/dbraw/zinc/66/59/84/892665984.db2.gz FOZCLZDWINYYKJ-SFYZADRCSA-N 0 3 270.289 -1.511 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2ccon2)C1=O ZINC001482710795 892666102 /nfs/dbraw/zinc/66/61/02/892666102.db2.gz GMJCZDZUIFNMME-WPRPVWTQSA-N 0 3 282.300 -1.414 20 0 CAADHN Cc1ncncc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001482711937 892666156 /nfs/dbraw/zinc/66/61/56/892666156.db2.gz SCTVNDKXOZFFEL-RKDXNWHRSA-N 0 3 281.316 -1.661 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCC(=O)NC1=O)c1cn[nH]c1 ZINC001482711657 892666178 /nfs/dbraw/zinc/66/61/78/892666178.db2.gz PFSBTSDHCCVNSK-DTWKUNHWSA-N 0 3 295.299 -2.105 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1cnns1 ZINC001482711403 892666498 /nfs/dbraw/zinc/66/64/98/892666498.db2.gz MWYKROICJWWIGK-YUMQZZPRSA-N 0 3 299.356 -1.503 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001482713607 892666521 /nfs/dbraw/zinc/66/65/21/892666521.db2.gz RZVAESXZKIXBOM-ZETCQYMHSA-N 0 3 256.262 -1.851 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)COC ZINC001482712166 892666999 /nfs/dbraw/zinc/66/69/99/892666999.db2.gz ANSJHXBFCUYZJV-IUCAKERBSA-N 0 3 261.322 -1.918 20 0 CAADHN CN1CCC[C@H](NC[C@@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001482711653 892667031 /nfs/dbraw/zinc/66/70/31/892667031.db2.gz PAIDTYZWCYKXTB-MNOVXSKESA-N 0 3 295.343 -1.289 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cscn1)C(N)=O ZINC001482713406 892667072 /nfs/dbraw/zinc/66/70/72/892667072.db2.gz MOCKZJNXZNMOSH-BQBZGAKWSA-N 0 3 272.330 -1.303 20 0 CAADHN O=C(COC1CCCC1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001482712348 892667083 /nfs/dbraw/zinc/66/70/83/892667083.db2.gz VSVZVCQTAMKVOE-JQWIXIFHSA-N 0 3 299.371 -1.099 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2ccon2)C1=O ZINC001482710793 892667155 /nfs/dbraw/zinc/66/71/55/892667155.db2.gz GMJCZDZUIFNMME-SCZZXKLOSA-N 0 3 282.300 -1.414 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cocn1 ZINC001482714510 892667260 /nfs/dbraw/zinc/66/72/60/892667260.db2.gz VNPWKFCFNYQWTI-SECBINFHSA-N 0 3 284.316 -1.119 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1=COCCC1)C(N)=O ZINC001482712705 892667327 /nfs/dbraw/zinc/66/73/27/892667327.db2.gz GSTZWJYTBXGVPG-SCZZXKLOSA-N 0 3 271.317 -1.379 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1cnns1 ZINC001482711401 892667465 /nfs/dbraw/zinc/66/74/65/892667465.db2.gz MWYKROICJWWIGK-SFYZADRCSA-N 0 3 299.356 -1.503 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CC(F)(F)F)C(N)=O ZINC001482711599 892667487 /nfs/dbraw/zinc/66/74/87/892667487.db2.gz HMVPDSQBHGGGAR-PHDIDXHHSA-N 0 3 271.239 -1.121 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CC(F)(F)F)C(N)=O ZINC001482711591 892667602 /nfs/dbraw/zinc/66/76/02/892667602.db2.gz HMVPDSQBHGGGAR-NTSWFWBYSA-N 0 3 271.239 -1.121 20 0 CAADHN Cc1ccncc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001482713804 892667706 /nfs/dbraw/zinc/66/77/06/892667706.db2.gz AQRXYBGJWRDRPW-VIFPVBQESA-N 0 3 266.301 -1.444 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CNC(=O)c2ccon2)C1=O ZINC001482711033 892667731 /nfs/dbraw/zinc/66/77/31/892667731.db2.gz JLZRRHXZVPGHQI-KOLCDFICSA-N 0 3 296.327 -1.024 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cocn1)NCC1CC1 ZINC001482712551 892668539 /nfs/dbraw/zinc/66/85/39/892668539.db2.gz DTBPGGWTESJJOZ-SNVBAGLBSA-N 0 3 296.327 -1.119 20 0 CAADHN Cc1cncc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)c1 ZINC001482718203 892669877 /nfs/dbraw/zinc/66/98/77/892669877.db2.gz KHFQDUSCVHEEQR-NWDGAFQWSA-N 0 3 292.339 -1.041 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001482714822 892669925 /nfs/dbraw/zinc/66/99/25/892669925.db2.gz WNBHTAHGNCZZBV-RKDXNWHRSA-N 0 3 282.300 -1.448 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001482715351 892670111 /nfs/dbraw/zinc/67/01/11/892670111.db2.gz GALRHFOBOVOIMK-RKDXNWHRSA-N 0 3 286.332 -2.532 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccc(F)nc1)C(N)=O ZINC001482716443 892670226 /nfs/dbraw/zinc/67/02/26/892670226.db2.gz OIUMSPAYEBPQEU-VXNVDRBHSA-N 0 3 284.291 -1.225 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)nc1C ZINC001482716952 892670407 /nfs/dbraw/zinc/67/04/07/892670407.db2.gz UMNYLGOOKICFAG-JTQLQIEISA-N 0 3 297.359 -1.455 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1ccon1)C(N)=O ZINC001482716004 892670658 /nfs/dbraw/zinc/67/06/58/892670658.db2.gz QQCKBNHCUSXVFP-VXNVDRBHSA-N 0 3 270.289 -1.842 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001482715775 892670788 /nfs/dbraw/zinc/67/07/88/892670788.db2.gz NIRFBBWYQSUFFA-QMMMGPOBSA-N 0 3 272.305 -2.839 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1ccon1)C(N)=O ZINC001482716000 892670935 /nfs/dbraw/zinc/67/09/35/892670935.db2.gz QQCKBNHCUSXVFP-CBAPKCEASA-N 0 3 270.289 -1.842 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccc(F)nc1)C(N)=O ZINC001482716441 892670966 /nfs/dbraw/zinc/67/09/66/892670966.db2.gz OIUMSPAYEBPQEU-CBAPKCEASA-N 0 3 284.291 -1.225 20 0 CAADHN CC(C)(C)NC(=O)CNC[C@H](O)CNC(=O)CC(N)=O ZINC001482716239 892671562 /nfs/dbraw/zinc/67/15/62/892671562.db2.gz UGJDIEGZRGPCMA-QMMMGPOBSA-N 0 3 288.348 -2.157 20 0 CAADHN C/C=C(/C)C(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001482718802 892671834 /nfs/dbraw/zinc/67/18/34/892671834.db2.gz LGWGWZNJNUAMFF-LCKPPEIMSA-N 0 3 299.371 -1.122 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@H](O)CNCCF)C1 ZINC001482719523 892671858 /nfs/dbraw/zinc/67/18/58/892671858.db2.gz XFIMMLRGFPCUEJ-ZJUUUORDSA-N 0 3 263.313 -1.647 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)nc1C ZINC001482715082 892671873 /nfs/dbraw/zinc/67/18/73/892671873.db2.gz FKNZJFNUSWTXNU-VIFPVBQESA-N 0 3 283.332 -1.845 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccncc1F ZINC001482716149 892671883 /nfs/dbraw/zinc/67/18/83/892671883.db2.gz SQLHYTKLBJKPRX-SSDOTTSWSA-N 0 3 270.264 -1.614 20 0 CAADHN O=C(NC[C@H](O)CNCCF)[C@H]1CCNC(=O)C1 ZINC001482720733 892673128 /nfs/dbraw/zinc/67/31/28/892673128.db2.gz GZEYUDPGUQLDEY-DTWKUNHWSA-N 0 3 261.297 -1.451 20 0 CAADHN CC(C)(O)CC(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001482725679 892673200 /nfs/dbraw/zinc/67/32/00/892673200.db2.gz YQFKOIDGPXWEKM-NXEZZACHSA-N 0 3 287.360 -1.507 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)C1=CCCC1 ZINC001482722146 892673326 /nfs/dbraw/zinc/67/33/26/892673326.db2.gz OAGBSJNFGSRBED-VIFPVBQESA-N 0 3 284.316 -1.642 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cn(C)cn1)C(=O)N(C)C ZINC001482721852 892673375 /nfs/dbraw/zinc/67/33/75/892673375.db2.gz MJKHQCKGJZAMLF-VHSXEESVSA-N 0 3 297.359 -1.423 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001482724473 892673392 /nfs/dbraw/zinc/67/33/92/892673392.db2.gz LRVRCMPERILYJF-RQJHMYQMSA-N 0 3 274.277 -3.093 20 0 CAADHN CCc1nc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)co1 ZINC001482720334 892673538 /nfs/dbraw/zinc/67/35/38/892673538.db2.gz AECNAJKQVPPWPG-HTQZYQBOSA-N 0 3 284.316 -1.209 20 0 CAADHN CC(C)(C)OCC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001482721248 892673574 /nfs/dbraw/zinc/67/35/74/892673574.db2.gz DCNZIUFOWUCLMT-UWVGGRQHSA-N 0 3 287.360 -1.243 20 0 CAADHN O=C(CCn1ccnn1)NC[C@H](O)CNCCF ZINC001482724687 892673624 /nfs/dbraw/zinc/67/36/24/892673624.db2.gz BEKWERRODDPXNF-SECBINFHSA-N 0 3 259.285 -1.296 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)c1N ZINC001482721091 892673740 /nfs/dbraw/zinc/67/37/40/892673740.db2.gz HUZDRCLQWDSFRG-VXNVDRBHSA-N 0 3 296.331 -2.429 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cn(C)cn1)C(=O)N(C)C ZINC001482721853 892673807 /nfs/dbraw/zinc/67/38/07/892673807.db2.gz MJKHQCKGJZAMLF-ZJUUUORDSA-N 0 3 297.359 -1.423 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)c1N ZINC001482721090 892673966 /nfs/dbraw/zinc/67/39/66/892673966.db2.gz HUZDRCLQWDSFRG-IONNQARKSA-N 0 3 296.331 -2.429 20 0 CAADHN CC(C)(O)CC(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001482725683 892674095 /nfs/dbraw/zinc/67/40/95/892674095.db2.gz YQFKOIDGPXWEKM-ZJUUUORDSA-N 0 3 287.360 -1.507 20 0 CAADHN CCc1nc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)co1 ZINC001482720752 892674209 /nfs/dbraw/zinc/67/42/09/892674209.db2.gz FDVLQWOZWLMXRR-DTWKUNHWSA-N 0 3 296.327 -1.194 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001482723492 892674440 /nfs/dbraw/zinc/67/44/40/892674440.db2.gz XAUFINPIQOVHQM-VIFPVBQESA-N 0 3 282.300 -1.787 20 0 CAADHN CC(C)(O)CC(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001482725681 892674716 /nfs/dbraw/zinc/67/47/16/892674716.db2.gz YQFKOIDGPXWEKM-VHSXEESVSA-N 0 3 287.360 -1.507 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cn(C)cn1)C(=O)N(C)C ZINC001482721851 892674863 /nfs/dbraw/zinc/67/48/63/892674863.db2.gz MJKHQCKGJZAMLF-UWVGGRQHSA-N 0 3 297.359 -1.423 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC001482720573 892674976 /nfs/dbraw/zinc/67/49/76/892674976.db2.gz ARGGQZDHQBZMSG-BDAKNGLRSA-N 0 3 259.306 -1.893 20 0 CAADHN CC(C)(O)CC(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001482725680 892675105 /nfs/dbraw/zinc/67/51/05/892675105.db2.gz YQFKOIDGPXWEKM-UWVGGRQHSA-N 0 3 287.360 -1.507 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001482729549 892676659 /nfs/dbraw/zinc/67/66/59/892676659.db2.gz OJFVQIUGGYNJFP-DTWKUNHWSA-N 0 3 297.319 -2.982 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1nn(C)cc1C)C(N)=O ZINC001482729484 892676715 /nfs/dbraw/zinc/67/67/15/892676715.db2.gz NVBUPKMTEXFWFH-NXEZZACHSA-N 0 3 297.359 -1.327 20 0 CAADHN O=C(CO[C@@H]1CCOC1)NC[C@H](O)CNCCF ZINC001482727566 892676735 /nfs/dbraw/zinc/67/67/35/892676735.db2.gz BNNUDSAAVLGGQP-NXEZZACHSA-N 0 3 264.297 -1.172 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001482729543 892676968 /nfs/dbraw/zinc/67/69/68/892676968.db2.gz OJFVQIUGGYNJFP-BDAKNGLRSA-N 0 3 297.319 -2.982 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001482730289 892677131 /nfs/dbraw/zinc/67/71/31/892677131.db2.gz WIGOEZFGFDQLBG-JGVFFNPUSA-N 0 3 285.308 -3.126 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ncn(C)n1)C(N)=O ZINC001482729146 892677223 /nfs/dbraw/zinc/67/72/23/892677223.db2.gz XMKCVWPBFGWNNU-RQJHMYQMSA-N 0 3 270.293 -2.631 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1nn(C)cc1C ZINC001482730017 892677230 /nfs/dbraw/zinc/67/72/30/892677230.db2.gz XFZSHICLPCFYDH-VIFPVBQESA-N 0 3 283.332 -1.845 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001482729551 892677435 /nfs/dbraw/zinc/67/74/35/892677435.db2.gz OJFVQIUGGYNJFP-IUCAKERBSA-N 0 3 297.319 -2.982 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001482729043 892677612 /nfs/dbraw/zinc/67/76/12/892677612.db2.gz LBNHEKDWGJXBOV-DTWKUNHWSA-N 0 3 275.305 -2.656 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cn(C)nn2)n[nH]1 ZINC001482727320 892677759 /nfs/dbraw/zinc/67/77/59/892677759.db2.gz ORLCIBLGFYJZPH-MRVPVSSYSA-N 0 3 294.319 -1.878 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001482726979 892678094 /nfs/dbraw/zinc/67/80/94/892678094.db2.gz INICLPLNQLOONK-VIFPVBQESA-N 0 3 298.347 -2.026 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1cnc(C)o1 ZINC001482737504 892679245 /nfs/dbraw/zinc/67/92/45/892679245.db2.gz NZWZHSMHJSEVGF-JTQLQIEISA-N 0 3 298.343 -1.272 20 0 CAADHN CC1(C(=O)NC[C@H](O)CNCCNS(C)(=O)=O)CC1 ZINC001482731400 892680137 /nfs/dbraw/zinc/68/01/37/892680137.db2.gz AKNNSUKAWJQTRC-SECBINFHSA-N 0 3 293.389 -1.598 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001482736867 892680254 /nfs/dbraw/zinc/68/02/54/892680254.db2.gz APHKLEZRZFNQFI-DTWKUNHWSA-N 0 3 286.332 -2.675 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1(F)CCOCC1 ZINC001482735916 892680665 /nfs/dbraw/zinc/68/06/65/892680665.db2.gz PCBQQXMNCNWJBL-SECBINFHSA-N 0 3 291.323 -1.682 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001482731888 892680725 /nfs/dbraw/zinc/68/07/25/892680725.db2.gz FOIPGUBMWNQWOU-HTQZYQBOSA-N 0 3 274.321 -2.547 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccns1 ZINC001482736737 892681132 /nfs/dbraw/zinc/68/11/32/892681132.db2.gz ZNWHJIYTIJGLID-YUMQZZPRSA-N 0 3 284.341 -1.288 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNCc1cnon1)N(C)C ZINC001482742265 892682684 /nfs/dbraw/zinc/68/26/84/892682684.db2.gz PMJYNRGCZUZEJM-GHMZBOCLSA-N 0 3 285.348 -1.024 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNCc1nnn(C)n1)N(C)C ZINC001482742977 892682382 /nfs/dbraw/zinc/68/23/82/892682382.db2.gz XRQXHVAUDDEZBH-VHSXEESVSA-N 0 3 299.379 -1.883 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1(C2CC2)CC1 ZINC001482739349 892682449 /nfs/dbraw/zinc/68/24/49/892682449.db2.gz HQCVFJUBDBXWIQ-JTQLQIEISA-N 0 3 269.345 -1.011 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccsn1 ZINC001482741499 892682811 /nfs/dbraw/zinc/68/28/11/892682811.db2.gz JRWPLIBZMHJVDL-ZETCQYMHSA-N 0 3 272.330 -1.431 20 0 CAADHN COCC[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001482742225 892682882 /nfs/dbraw/zinc/68/28/82/892682882.db2.gz QMNYEEVXYAAFOR-QMMMGPOBSA-N 0 3 270.289 -1.491 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNCc1cnon1)N(C)C ZINC001482742277 892682948 /nfs/dbraw/zinc/68/29/48/892682948.db2.gz PMJYNRGCZUZEJM-WDEREUQCSA-N 0 3 285.348 -1.024 20 0 CAADHN Cc1cn(C(C)(C)C(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001482740519 892683032 /nfs/dbraw/zinc/68/30/32/892683032.db2.gz AZPYBPOLVNVXJC-JTQLQIEISA-N 0 3 297.359 -1.521 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001482740229 892683192 /nfs/dbraw/zinc/68/31/92/892683192.db2.gz RUXGKHRANFQMOF-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)S(C)(=O)=O ZINC001482742655 892683234 /nfs/dbraw/zinc/68/32/34/892683234.db2.gz SGNVUOOKGLVCDE-NKWVEPMBSA-N 0 3 281.334 -3.029 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnc2[nH]ccc2c1 ZINC001482740105 892683393 /nfs/dbraw/zinc/68/33/93/892683393.db2.gz PVPLVHXRXHJBLW-SNVBAGLBSA-N 0 3 291.311 -1.320 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001482740261 892683414 /nfs/dbraw/zinc/68/34/14/892683414.db2.gz SMZZBFGFEWDHNH-DTWKUNHWSA-N 0 3 283.332 -1.717 20 0 CAADHN O=C(NC[C@H](O)CNCCF)c1cn[nH]c(=O)c1 ZINC001482739509 892683723 /nfs/dbraw/zinc/68/37/23/892683723.db2.gz JRTPFLIDRIONHU-MRVPVSSYSA-N 0 3 258.253 -1.168 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)c1cn[nH]c(=O)c1 ZINC001482739510 892683845 /nfs/dbraw/zinc/68/38/45/892683845.db2.gz JRTPFLIDRIONHU-QMMMGPOBSA-N 0 3 258.253 -1.168 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001482740260 892683895 /nfs/dbraw/zinc/68/38/95/892683895.db2.gz SMZZBFGFEWDHNH-BDAKNGLRSA-N 0 3 283.332 -1.717 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1ccncc1 ZINC001482745187 892684869 /nfs/dbraw/zinc/68/48/69/892684869.db2.gz LJVMDQDZZKNJNT-NSHDSACASA-N 0 3 280.328 -1.434 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)nc1C ZINC001482751371 892684899 /nfs/dbraw/zinc/68/48/99/892684899.db2.gz LRGZHYVUUMLKCQ-SNVBAGLBSA-N 0 3 280.328 -1.136 20 0 CAADHN COc1cnc(C(=O)NC[C@@H](O)CNCC(N)=O)nc1 ZINC001482747686 892685487 /nfs/dbraw/zinc/68/54/87/892685487.db2.gz IUPZQRINXBZSCL-ZETCQYMHSA-N 0 3 283.288 -2.349 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1(COC)CC1 ZINC001482750097 892685534 /nfs/dbraw/zinc/68/55/34/892685534.db2.gz KPBGLZWMMOGYLH-VIFPVBQESA-N 0 3 273.333 -1.774 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cc(F)c[nH]1 ZINC001482750952 892685565 /nfs/dbraw/zinc/68/55/65/892685565.db2.gz DHTLEKHTTLXWRE-BDAKNGLRSA-N 0 3 284.291 -1.277 20 0 CAADHN COc1cnc(C(=O)NC[C@H](O)CNCC(N)=O)nc1 ZINC001482747681 892685625 /nfs/dbraw/zinc/68/56/25/892685625.db2.gz IUPZQRINXBZSCL-SSDOTTSWSA-N 0 3 283.288 -2.349 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001482750207 892686012 /nfs/dbraw/zinc/68/60/12/892686012.db2.gz MYQGCLKYJPUWNT-UWVGGRQHSA-N 0 3 285.344 -1.632 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C(=O)Nc1ccccc1 ZINC001482749371 892686426 /nfs/dbraw/zinc/68/64/26/892686426.db2.gz XBAULIGXJFQNGM-SNVBAGLBSA-N 0 3 294.311 -1.823 20 0 CAADHN COc1nccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001482746803 892686538 /nfs/dbraw/zinc/68/65/38/892686538.db2.gz BEJTVSYSSYFQBB-JGVFFNPUSA-N 0 3 297.315 -1.961 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001482751591 892686740 /nfs/dbraw/zinc/68/67/40/892686740.db2.gz PSNNXGYJCFTQDB-VXNVDRBHSA-N 0 3 286.307 -1.031 20 0 CAADHN Cn1cncc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001482746582 892686846 /nfs/dbraw/zinc/68/68/46/892686846.db2.gz FNAMTUAHQPRNKV-RKDXNWHRSA-N 0 3 281.316 -2.011 20 0 CAADHN COc1nccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001482746805 892687024 /nfs/dbraw/zinc/68/70/24/892687024.db2.gz BEJTVSYSSYFQBB-YUMQZZPRSA-N 0 3 297.315 -1.961 20 0 CAADHN Cn1cncc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001482748152 892687099 /nfs/dbraw/zinc/68/70/99/892687099.db2.gz PEGDMZFVULBFRP-SSDOTTSWSA-N 0 3 255.278 -2.414 20 0 CAADHN Cn1c(=O)[nH]cc1C(=O)NC[C@@H](O)CNCCF ZINC001482756701 892688164 /nfs/dbraw/zinc/68/81/64/892688164.db2.gz BABHEAFYPDZIFH-ZETCQYMHSA-N 0 3 260.269 -1.225 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001482753189 892688228 /nfs/dbraw/zinc/68/82/28/892688228.db2.gz IGAFURYIHYNQKZ-SSDOTTSWSA-N 0 3 255.278 -2.116 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](F)C(C)C ZINC001482759519 892688327 /nfs/dbraw/zinc/68/83/27/892688327.db2.gz XCASUZAZTOQTER-WPRPVWTQSA-N 0 3 263.313 -1.207 20 0 CAADHN CC(C)n1cnc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001482755653 892689260 /nfs/dbraw/zinc/68/92/60/892689260.db2.gz QIFSINNZNSFVJN-VIFPVBQESA-N 0 3 283.332 -1.370 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001482760211 892689301 /nfs/dbraw/zinc/68/93/01/892689301.db2.gz JXQOXIAPEFVLQX-RXKWGBCNSA-N 0 3 271.317 -2.181 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001482752009 892689611 /nfs/dbraw/zinc/68/96/11/892689611.db2.gz WLDTYGYSGMZJDY-ZETCQYMHSA-N 0 3 258.253 -1.681 20 0 CAADHN Cc1nn(C)c(C)c1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001482754383 892689651 /nfs/dbraw/zinc/68/96/51/892689651.db2.gz WECQVISBTFJUMX-SNVBAGLBSA-N 0 3 297.359 -1.869 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccc2n[nH]cc2c1 ZINC001482762707 892690955 /nfs/dbraw/zinc/69/09/55/892690955.db2.gz NGNZFNCVIYHLEU-JTQLQIEISA-N 0 3 291.311 -1.272 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001482766797 892691073 /nfs/dbraw/zinc/69/10/73/892691073.db2.gz PBXDIMRZIIERBN-BQBZGAKWSA-N 0 3 258.278 -3.231 20 0 CAADHN O=C(Cc1cnoc1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001482762984 892691682 /nfs/dbraw/zinc/69/16/82/892691682.db2.gz VQZYQBGOUHTPGI-MNOVXSKESA-N 0 3 296.327 -1.438 20 0 CAADHN O=C(Cc1cnoc1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001482762985 892691568 /nfs/dbraw/zinc/69/15/68/892691568.db2.gz VQZYQBGOUHTPGI-QWRGUYRKSA-N 0 3 296.327 -1.438 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001482762741 892691744 /nfs/dbraw/zinc/69/17/44/892691744.db2.gz NTNIDTFIIUXPJZ-MRVPVSSYSA-N 0 3 297.315 -2.414 20 0 CAADHN Cc1cncc(CNC[C@@H](O)CNC(=O)C(N)=O)c1 ZINC001482766130 892691837 /nfs/dbraw/zinc/69/18/37/892691837.db2.gz MIGACEXUYMKHCY-SNVBAGLBSA-N 0 3 266.301 -1.558 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccc2n[nH]cc2c1 ZINC001482762708 892691859 /nfs/dbraw/zinc/69/18/59/892691859.db2.gz NGNZFNCVIYHLEU-SNVBAGLBSA-N 0 3 291.311 -1.272 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)NC1CC1 ZINC001482760508 892692020 /nfs/dbraw/zinc/69/20/20/892692020.db2.gz OONVDZNBFDFNKG-MEWQQHAOSA-N 0 3 297.355 -1.776 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C(N)=O ZINC001482765149 892692102 /nfs/dbraw/zinc/69/21/02/892692102.db2.gz GLEDFNPUWVGQIU-RKDXNWHRSA-N 0 3 288.348 -2.301 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001482765513 892692386 /nfs/dbraw/zinc/69/23/86/892692386.db2.gz JWUILESHZXQSMD-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C(N)=O ZINC001482765147 892692792 /nfs/dbraw/zinc/69/27/92/892692792.db2.gz GLEDFNPUWVGQIU-DTWKUNHWSA-N 0 3 288.348 -2.301 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)[C@@H]1CC(=O)NC(=O)N1 ZINC001482773963 892694098 /nfs/dbraw/zinc/69/40/98/892694098.db2.gz VVWIBSCEFJROSR-BQBZGAKWSA-N 0 3 276.268 -2.379 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](O)CNC(=O)C(N)=O ZINC001482767749 892694172 /nfs/dbraw/zinc/69/41/72/892694172.db2.gz UYBCMYSTOPDDLP-MRVPVSSYSA-N 0 3 274.321 -2.689 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cscn1 ZINC001482774379 892694181 /nfs/dbraw/zinc/69/41/81/892694181.db2.gz KBAOGXKXRAJMOR-VIFPVBQESA-N 0 3 286.357 -1.502 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CNCCF)O1 ZINC001482768487 892694366 /nfs/dbraw/zinc/69/43/66/892694366.db2.gz VSWCWQWVCOERSX-XHNCKOQMSA-N 0 3 277.296 -1.945 20 0 CAADHN CCc1oncc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001482773582 892694971 /nfs/dbraw/zinc/69/49/71/892694971.db2.gz RWDGWNUVKJMBDG-MRVPVSSYSA-N 0 3 284.316 -1.337 20 0 CAADHN O=C(NC[C@H](O)CNCCF)[C@@H]1CC(=O)NC(=O)N1 ZINC001482773971 892695441 /nfs/dbraw/zinc/69/54/41/892695441.db2.gz VVWIBSCEFJROSR-RQJHMYQMSA-N 0 3 276.268 -2.379 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(C)[nH]c1=O ZINC001482771985 892695531 /nfs/dbraw/zinc/69/55/31/892695531.db2.gz OPANTMNZQCZTDO-VIFPVBQESA-N 0 3 296.327 -1.478 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)c1ccco1 ZINC001482768171 892695641 /nfs/dbraw/zinc/69/56/41/892695641.db2.gz RNCUENCNPIRFBA-BDAKNGLRSA-N 0 3 269.301 -1.065 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001482771838 892695658 /nfs/dbraw/zinc/69/56/58/892695658.db2.gz MZUICXMNTGIFKN-BDAKNGLRSA-N 0 3 298.343 -1.691 20 0 CAADHN Cc1ncc(CNC[C@H](O)CNC(=O)C(N)=O)cn1 ZINC001482767531 892695714 /nfs/dbraw/zinc/69/57/14/892695714.db2.gz SARFZQWZSZQBHC-VIFPVBQESA-N 0 3 267.289 -2.163 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(C)[nH]c1=O ZINC001482771977 892695777 /nfs/dbraw/zinc/69/57/77/892695777.db2.gz OPANTMNZQCZTDO-SECBINFHSA-N 0 3 296.327 -1.478 20 0 CAADHN O=C(CCc1cn[nH]c1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001482777999 892697051 /nfs/dbraw/zinc/69/70/51/892697051.db2.gz YJIDVCHILMINSF-WDEREUQCSA-N 0 3 295.343 -1.703 20 0 CAADHN CC(C)(NS(C)(=O)=O)C(=O)NC[C@H](O)CNCCF ZINC001482775716 892697399 /nfs/dbraw/zinc/69/73/99/892697399.db2.gz APNARKNMLAZSKH-MRVPVSSYSA-N 0 3 299.368 -1.650 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1coc(C2CC2)n1 ZINC001482775718 892697758 /nfs/dbraw/zinc/69/77/58/892697758.db2.gz AQCQZVSIBHFOSC-MRVPVSSYSA-N 0 3 282.300 -1.282 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C)n1 ZINC001482776669 892697480 /nfs/dbraw/zinc/69/74/80/892697480.db2.gz GJBNXGWYOVKGSS-VHSXEESVSA-N 0 3 297.359 -1.125 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccncn1 ZINC001482779421 892697828 /nfs/dbraw/zinc/69/78/28/892697828.db2.gz JWWFSQFYCNYWDF-IUCAKERBSA-N 0 3 281.316 -1.709 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccncn1 ZINC001482779422 892698260 /nfs/dbraw/zinc/69/82/60/892698260.db2.gz JWWFSQFYCNYWDF-RKDXNWHRSA-N 0 3 281.316 -1.709 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)n1 ZINC001482777179 892698331 /nfs/dbraw/zinc/69/83/31/892698331.db2.gz PRGSCNQPWAWLQT-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN CCCNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnon1 ZINC001482779425 892698342 /nfs/dbraw/zinc/69/83/42/892698342.db2.gz JYJSMQWYRVEJBE-IUCAKERBSA-N 0 3 299.331 -1.335 20 0 CAADHN O=C(CCc1cn[nH]c1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001482777998 892698582 /nfs/dbraw/zinc/69/85/82/892698582.db2.gz YJIDVCHILMINSF-QWRGUYRKSA-N 0 3 295.343 -1.703 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccncn1 ZINC001482779420 892698662 /nfs/dbraw/zinc/69/86/62/892698662.db2.gz JWWFSQFYCNYWDF-DTWKUNHWSA-N 0 3 281.316 -1.709 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CNCC(=O)N(C)C)n1 ZINC001482777178 892698818 /nfs/dbraw/zinc/69/88/18/892698818.db2.gz PRGSCNQPWAWLQT-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnc2cccnn21 ZINC001482777485 892698916 /nfs/dbraw/zinc/69/89/16/892698916.db2.gz URJQOCHOBZPVEK-QMMMGPOBSA-N 0 3 292.299 -2.105 20 0 CAADHN O=C(CCc1cn[nH]c1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001482777997 892699120 /nfs/dbraw/zinc/69/91/20/892699120.db2.gz YJIDVCHILMINSF-MNOVXSKESA-N 0 3 295.343 -1.703 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cccnn1 ZINC001482779398 892699223 /nfs/dbraw/zinc/69/92/23/892699223.db2.gz JUGUKPMZLXBRAM-JTQLQIEISA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccnc(C)c1 ZINC001482779236 892699460 /nfs/dbraw/zinc/69/94/60/892699460.db2.gz IAASQJUTKYIYPF-NSHDSACASA-N 0 3 280.328 -1.184 20 0 CAADHN COc1ncc(C(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001482782220 892700383 /nfs/dbraw/zinc/70/03/83/892700383.db2.gz BFCGUQMHLZOTEX-QMMMGPOBSA-N 0 3 283.288 -2.349 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C(F)F)c1 ZINC001482780648 892700430 /nfs/dbraw/zinc/70/04/30/892700430.db2.gz CHJHZRMHTLMKCQ-SSDOTTSWSA-N 0 3 291.258 -1.556 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccncn1 ZINC001482779639 892700467 /nfs/dbraw/zinc/70/04/67/892700467.db2.gz NUCJYVCGNNTFQZ-VIFPVBQESA-N 0 3 281.316 -1.755 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001482784330 892700514 /nfs/dbraw/zinc/70/05/14/892700514.db2.gz GRMLAIVHZDLLPE-SFYZADRCSA-N 0 3 284.320 -2.452 20 0 CAADHN CS(=O)(=O)C1(C(=O)NC[C@@H](O)CNCCF)CCC1 ZINC001482781127 892700772 /nfs/dbraw/zinc/70/07/72/892700772.db2.gz NIPGAMLGRSLNFI-VIFPVBQESA-N 0 3 296.364 -1.010 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001482784329 892700877 /nfs/dbraw/zinc/70/08/77/892700877.db2.gz GRMLAIVHZDLLPE-JGVFFNPUSA-N 0 3 284.320 -2.452 20 0 CAADHN O=C(NC[C@H](O)CNCCF)C(=O)NCC1CC1 ZINC001482781142 892701105 /nfs/dbraw/zinc/70/11/05/892701105.db2.gz GFRSJOKACMFKMS-SECBINFHSA-N 0 3 261.297 -1.451 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)o1 ZINC001482781989 892701400 /nfs/dbraw/zinc/70/14/00/892701400.db2.gz MILQJYOZEAXQHT-DTWKUNHWSA-N 0 3 297.311 -1.143 20 0 CAADHN Cn1cncc1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001482785442 892701659 /nfs/dbraw/zinc/70/16/59/892701659.db2.gz JBVAOLCTGZWBHS-SECBINFHSA-N 0 3 269.305 -2.485 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c[nH]1 ZINC001482783730 892701699 /nfs/dbraw/zinc/70/16/99/892701699.db2.gz VDOVCTUYGFNSSE-BDAKNGLRSA-N 0 3 296.327 -1.763 20 0 CAADHN CC(C)Cn1cc(C(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001482781775 892701905 /nfs/dbraw/zinc/70/19/05/892701905.db2.gz KXLLUPNYLSYHKZ-LLVKDONJSA-N 0 3 297.359 -1.295 20 0 CAADHN CC(C)Cn1cc(C(=O)NC[C@@H](O)CNCC(N)=O)cn1 ZINC001482781787 892702057 /nfs/dbraw/zinc/70/20/57/892702057.db2.gz KXLLUPNYLSYHKZ-NSHDSACASA-N 0 3 297.359 -1.295 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001482785744 892702179 /nfs/dbraw/zinc/70/21/79/892702179.db2.gz WSIIDQZXUXPUCB-QMMMGPOBSA-N 0 3 284.320 -2.498 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)o1 ZINC001482781988 892702371 /nfs/dbraw/zinc/70/23/71/892702371.db2.gz MILQJYOZEAXQHT-BDAKNGLRSA-N 0 3 297.311 -1.143 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1nccs1)C(N)=O ZINC001482780207 892702412 /nfs/dbraw/zinc/70/24/12/892702412.db2.gz ZRZBCQGFUCMQGH-RQJHMYQMSA-N 0 3 272.330 -1.303 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1nccs1)C(N)=O ZINC001482780204 892702426 /nfs/dbraw/zinc/70/24/26/892702426.db2.gz ZRZBCQGFUCMQGH-BQBZGAKWSA-N 0 3 272.330 -1.303 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1nccs1)C(N)=O ZINC001482780206 892702454 /nfs/dbraw/zinc/70/24/54/892702454.db2.gz ZRZBCQGFUCMQGH-RNFRBKRXSA-N 0 3 272.330 -1.303 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c[nH]1 ZINC001482783731 892702511 /nfs/dbraw/zinc/70/25/11/892702511.db2.gz VDOVCTUYGFNSSE-DTWKUNHWSA-N 0 3 296.327 -1.763 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001482784331 892702589 /nfs/dbraw/zinc/70/25/89/892702589.db2.gz GRMLAIVHZDLLPE-YUMQZZPRSA-N 0 3 284.320 -2.452 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1oncc1C ZINC001482780342 892702621 /nfs/dbraw/zinc/70/26/21/892702621.db2.gz BWQQWGNCSFABIO-SECBINFHSA-N 0 3 284.316 -1.201 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CNCC(N)=O)nnn1C(C)C ZINC001482781427 892702833 /nfs/dbraw/zinc/70/28/33/892702833.db2.gz RKXWWQJODQPJEZ-VIFPVBQESA-N 0 3 298.347 -1.667 20 0 CAADHN CCn1cc(CC(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001482784835 892702880 /nfs/dbraw/zinc/70/28/80/892702880.db2.gz NICCHBPJLRORAI-SNVBAGLBSA-N 0 3 283.332 -2.003 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1ncccn1)C(N)=O ZINC001482780126 892702914 /nfs/dbraw/zinc/70/29/14/892702914.db2.gz YEPKBMCVEUCVRW-NXEZZACHSA-N 0 3 295.343 -1.650 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001483289491 892752490 /nfs/dbraw/zinc/75/24/90/892752490.db2.gz USAFRRYLWXQBDR-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001482792880 892703959 /nfs/dbraw/zinc/70/39/59/892703959.db2.gz HNEMTYVBURVUJD-IUCAKERBSA-N 0 3 286.332 -2.451 20 0 CAADHN Cc1noc(C)c1CCC(=O)NC[C@H](O)CNCC(N)=O ZINC001482790413 892704392 /nfs/dbraw/zinc/70/43/92/892704392.db2.gz BRPCGYQKEVFPOT-SNVBAGLBSA-N 0 3 298.343 -1.224 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001482788993 892704628 /nfs/dbraw/zinc/70/46/28/892704628.db2.gz RMWGZTMUQUAKRP-RKDXNWHRSA-N 0 3 283.332 -1.799 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cn1cncn1)C(=O)N(C)C ZINC001482792128 892704812 /nfs/dbraw/zinc/70/48/12/892704812.db2.gz FFEJNXSLHQXAOX-NXEZZACHSA-N 0 3 298.347 -2.179 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001482792875 892704848 /nfs/dbraw/zinc/70/48/48/892704848.db2.gz HNEMTYVBURVUJD-BDAKNGLRSA-N 0 3 286.332 -2.451 20 0 CAADHN C[C@@H](CC(=O)NC[C@H](O)CNCC(N)=O)n1cccc1 ZINC001482787850 892705053 /nfs/dbraw/zinc/70/50/53/892705053.db2.gz GSZMZVGUAINWLB-WDEREUQCSA-N 0 3 282.344 -1.009 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001482788986 892705203 /nfs/dbraw/zinc/70/52/03/892705203.db2.gz RMWGZTMUQUAKRP-BDAKNGLRSA-N 0 3 283.332 -1.799 20 0 CAADHN C[C@@H](CC(=O)NC[C@@H](O)CNCC(N)=O)n1cccc1 ZINC001482787847 892705554 /nfs/dbraw/zinc/70/55/54/892705554.db2.gz GSZMZVGUAINWLB-QWRGUYRKSA-N 0 3 282.344 -1.009 20 0 CAADHN Cc1nccn1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001482791342 892705654 /nfs/dbraw/zinc/70/56/54/892705654.db2.gz AMFOKFLRZFIBQK-SECBINFHSA-N 0 3 269.305 -2.256 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C(C)(C)C)C(=O)NC(N)=O ZINC001482789468 892705977 /nfs/dbraw/zinc/70/59/77/892705977.db2.gz XXFUXRQTBGTTFO-JGVFFNPUSA-N 0 3 288.348 -1.317 20 0 CAADHN COc1cccnc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001482788107 892706071 /nfs/dbraw/zinc/70/60/71/892706071.db2.gz LMTBGJPSQIFHMM-DTWKUNHWSA-N 0 3 296.327 -1.356 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001482788991 892706096 /nfs/dbraw/zinc/70/60/96/892706096.db2.gz RMWGZTMUQUAKRP-IUCAKERBSA-N 0 3 283.332 -1.799 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001482792881 892706333 /nfs/dbraw/zinc/70/63/33/892706333.db2.gz HNEMTYVBURVUJD-RKDXNWHRSA-N 0 3 286.332 -2.451 20 0 CAADHN CCC[C@H](C(=O)N[C@H](C)CN(C)CCO)S(N)(=O)=O ZINC001483366978 892761564 /nfs/dbraw/zinc/76/15/64/892761564.db2.gz AFOIZZPKRHUOMC-NXEZZACHSA-N 0 3 295.405 -1.128 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)Cc2ccc[nH]2)C1=O ZINC001482796936 892708055 /nfs/dbraw/zinc/70/80/55/892708055.db2.gz GZUBIZDCYWTVCF-NEPJUHHUSA-N 0 3 294.355 -1.145 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001482795221 892708127 /nfs/dbraw/zinc/70/81/27/892708127.db2.gz OQFGJNISNMKSSK-VIFPVBQESA-N 0 3 282.300 -1.787 20 0 CAADHN NC(=O)N1CCC[C@H]1C(=O)NC[C@H](O)CNCCF ZINC001482799034 892708633 /nfs/dbraw/zinc/70/86/33/892708633.db2.gz KLEPPYBTKOBYGH-BDAKNGLRSA-N 0 3 276.312 -1.434 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NC[C@H](O)CNCCF ZINC001482794753 892708949 /nfs/dbraw/zinc/70/89/49/892708949.db2.gz ZNXRXLWEYDLZSC-VXGBXAGGSA-N 0 3 291.367 -1.009 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001482795220 892709308 /nfs/dbraw/zinc/70/93/08/892709308.db2.gz OQFGJNISNMKSSK-SECBINFHSA-N 0 3 282.300 -1.787 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](O)CNCCF ZINC001482799626 892709363 /nfs/dbraw/zinc/70/93/63/892709363.db2.gz RHXPBFZNHJFSCP-MRVPVSSYSA-N 0 3 270.326 -1.543 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cn1ccccc1=O ZINC001482795296 892709900 /nfs/dbraw/zinc/70/99/00/892709900.db2.gz RMJIGLFEIQPIOQ-JTQLQIEISA-N 0 3 296.327 -2.339 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NC[C@@H](O)CNCCF ZINC001482794750 892710027 /nfs/dbraw/zinc/71/00/27/892710027.db2.gz ZNXRXLWEYDLZSC-NEPJUHHUSA-N 0 3 291.367 -1.009 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cn1ccccc1=O ZINC001482795303 892710051 /nfs/dbraw/zinc/71/00/51/892710051.db2.gz RMJIGLFEIQPIOQ-SNVBAGLBSA-N 0 3 296.327 -2.339 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1COCCO1 ZINC001482922180 892714171 /nfs/dbraw/zinc/71/41/71/892714171.db2.gz PQQHWHXFVZYNBD-VIFPVBQESA-N 0 3 259.306 -1.675 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)CNC(=O)OC ZINC001482912565 892714419 /nfs/dbraw/zinc/71/44/19/892714419.db2.gz HNALQFZYXNHYLK-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)Cn1cnnn1 ZINC001482910888 892714535 /nfs/dbraw/zinc/71/45/35/892714535.db2.gz CRIZENRPJVSDCV-UHFFFAOYSA-N 0 3 269.309 -2.143 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)CCOC ZINC001482906796 892714675 /nfs/dbraw/zinc/71/46/75/892714675.db2.gz KBBBROAZBMJSBW-UHFFFAOYSA-N 0 3 274.321 -1.344 20 0 CAADHN CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)Cn1ncnn1 ZINC001482924895 892714725 /nfs/dbraw/zinc/71/47/25/892714725.db2.gz LCLMYHMCMDKMIB-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN CCNC(=O)CNCCN(CC)C(=O)[C@@H]1COC(=O)N1 ZINC001482922353 892714746 /nfs/dbraw/zinc/71/47/46/892714746.db2.gz QNRHCYJMUJIPGN-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)CNC(=O)NC)C(N)=O ZINC001482928353 892714934 /nfs/dbraw/zinc/71/49/34/892714934.db2.gz RWYHJPAPVJHKHL-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)CNC(=O)OC ZINC001482912564 892715124 /nfs/dbraw/zinc/71/51/24/892715124.db2.gz HNALQFZYXNHYLK-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1COCCO1 ZINC001482922177 892715152 /nfs/dbraw/zinc/71/51/52/892715152.db2.gz PQQHWHXFVZYNBD-SECBINFHSA-N 0 3 259.306 -1.675 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001482892735 892715172 /nfs/dbraw/zinc/71/51/72/892715172.db2.gz QMWDWCIQJHXVCM-DTWKUNHWSA-N 0 3 282.348 -1.034 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)Cc1nnc(C)[nH]1 ZINC001482924100 892715202 /nfs/dbraw/zinc/71/52/02/892715202.db2.gz APCVQNIUBWKZPN-MRVPVSSYSA-N 0 3 282.348 -1.032 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)CNC(=O)OC ZINC001482913427 892715351 /nfs/dbraw/zinc/71/53/51/892715351.db2.gz TYTJOXLEFXIIQI-UHFFFAOYSA-N 0 3 274.321 -1.474 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)Cn1cnnn1)C(N)=O ZINC001482911889 892715505 /nfs/dbraw/zinc/71/55/05/892715505.db2.gz SMSBFDWHHZAIFC-VIFPVBQESA-N 0 3 283.336 -1.625 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CCn1cncn1 ZINC001482911311 892715531 /nfs/dbraw/zinc/71/55/31/892715531.db2.gz QYPWHGKXWBSWOW-JTQLQIEISA-N 0 3 282.348 -1.020 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CCN1CCCC1=O ZINC001482968267 892717260 /nfs/dbraw/zinc/71/72/60/892717260.db2.gz DZJBNQZYHMPAFE-UHFFFAOYSA-N 0 3 284.360 -1.078 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)c1nc[nH]n1 ZINC001482956920 892717392 /nfs/dbraw/zinc/71/73/92/892717392.db2.gz NKCGXBGNISXMAY-MRVPVSSYSA-N 0 3 266.305 -1.255 20 0 CAADHN CN1CC[C@H](NC/C=C/CNC(=O)Cn2cnnn2)C1=O ZINC001482982153 892717447 /nfs/dbraw/zinc/71/74/47/892717447.db2.gz NSLOWOIBBCWCQG-PBKGFPTLSA-N 0 3 293.331 -1.834 20 0 CAADHN COC(=O)NCC(=O)NC/C=C\CN[C@@H]1CCN(C)C1=O ZINC001482988515 892717504 /nfs/dbraw/zinc/71/75/04/892717504.db2.gz GJIGAFAPSNRXTI-UMBAGQNISA-N 0 3 298.343 -1.165 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001482941647 892717588 /nfs/dbraw/zinc/71/75/88/892717588.db2.gz NRDKLQFFRPYTBV-PWSUYJOCSA-N 0 3 287.360 -1.039 20 0 CAADHN CN1CC[C@@H](NC/C=C\CNC(=O)Cn2cnnn2)C1=O ZINC001482982149 892717739 /nfs/dbraw/zinc/71/77/39/892717739.db2.gz NSLOWOIBBCWCQG-MXQLGCADSA-N 0 3 293.331 -1.834 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001482941648 892717878 /nfs/dbraw/zinc/71/78/78/892717878.db2.gz NRDKLQFFRPYTBV-ZYHUDNBSSA-N 0 3 287.360 -1.039 20 0 CAADHN COC(=O)NCC(=O)NC/C=C\CN[C@H]1CCN(C)C1=O ZINC001482988516 892718798 /nfs/dbraw/zinc/71/87/98/892718798.db2.gz GJIGAFAPSNRXTI-XOULXFPDSA-N 0 3 298.343 -1.165 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001482966158 892719210 /nfs/dbraw/zinc/71/92/10/892719210.db2.gz FWSPLHAHRAMFOM-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H](OC)[C@H]1CCOC1 ZINC001482941645 892719347 /nfs/dbraw/zinc/71/93/47/892719347.db2.gz NRDKLQFFRPYTBV-CMPLNLGQSA-N 0 3 287.360 -1.039 20 0 CAADHN CCN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CCNC1=O ZINC001482943616 892719591 /nfs/dbraw/zinc/71/95/91/892719591.db2.gz KJJBQWURTAXSNP-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)c1ncn(C)n1)C(N)=O ZINC001483004578 892721058 /nfs/dbraw/zinc/72/10/58/892721058.db2.gz SOHDHTNBMYNNEY-RTMURIBGSA-N 0 3 266.305 -1.436 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C/CNC(=O)c1cnnn1C ZINC001483002172 892721075 /nfs/dbraw/zinc/72/10/75/892721075.db2.gz FDTCXEKKAMHXER-XNPJLODASA-N 0 3 280.332 -1.175 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)C[C@@H](C)NC(N)=O ZINC001483009048 892721088 /nfs/dbraw/zinc/72/10/88/892721088.db2.gz BXWZYTZOSNUXSM-CFUOYWMPSA-N 0 3 299.375 -1.170 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)c1ncn(C)n1)C(N)=O ZINC001483004580 892721983 /nfs/dbraw/zinc/72/19/83/892721983.db2.gz SOHDHTNBMYNNEY-VEMNSZJBSA-N 0 3 266.305 -1.436 20 0 CAADHN CNC(=O)NCC(=O)NC/C=C/CN[C@H]1CCCNC1=O ZINC001483015138 892722792 /nfs/dbraw/zinc/72/27/92/892722792.db2.gz FCVKYVLJJDXEMS-PBKGFPTLSA-N 0 3 297.359 -1.544 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)C[C@H](C)NC(N)=O ZINC001483009047 892723153 /nfs/dbraw/zinc/72/31/53/892723153.db2.gz BXWZYTZOSNUXSM-AWAZDUCLSA-N 0 3 299.375 -1.170 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)c1cn[nH]c(=O)c1)C(N)=O ZINC001483021843 892723365 /nfs/dbraw/zinc/72/33/65/892723365.db2.gz BTVBDDNBMUCTSX-KZUAUGPASA-N 0 3 279.300 -1.068 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001483105013 892727869 /nfs/dbraw/zinc/72/78/69/892727869.db2.gz BVIQHOSJBKTGBW-MRVPVSSYSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C/CNC(=O)CCn1cnnn1 ZINC001483077340 892729471 /nfs/dbraw/zinc/72/94/71/892729471.db2.gz IYLDWKNZOQIXRY-HMDXOVGESA-N 0 3 295.347 -1.540 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)CCn1cncn1 ZINC001483109381 892729954 /nfs/dbraw/zinc/72/99/54/892729954.db2.gz VUSTWWORYDOGBS-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)CCn1cnnn1 ZINC001483077339 892729969 /nfs/dbraw/zinc/72/99/69/892729969.db2.gz IYLDWKNZOQIXRY-FSIBCCDJSA-N 0 3 295.347 -1.540 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001483107903 892730177 /nfs/dbraw/zinc/73/01/77/892730177.db2.gz OYNVNKMVLJYTSF-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCC(=O)N1 ZINC001483114257 892730258 /nfs/dbraw/zinc/73/02/58/892730258.db2.gz GYSDCJHHPOVAGD-RKDXNWHRSA-N 0 3 270.333 -1.553 20 0 CAADHN CO[C@H](C)C(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001483112216 892730283 /nfs/dbraw/zinc/73/02/83/892730283.db2.gz FQEUCCVUBVUKQC-HTQZYQBOSA-N 0 3 271.321 -1.262 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)Cn1cnnn1 ZINC001483108092 892730301 /nfs/dbraw/zinc/73/03/01/892730301.db2.gz WWCFQKNJNJHLTR-SSDOTTSWSA-N 0 3 295.307 -2.611 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)COC ZINC001483102252 892730536 /nfs/dbraw/zinc/73/05/36/892730536.db2.gz FNERXCQZOVGWDG-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)COC ZINC001483102254 892730573 /nfs/dbraw/zinc/73/05/73/892730573.db2.gz FNERXCQZOVGWDG-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)[C@H]2COC(=O)N2)n[nH]1 ZINC001483124057 892731812 /nfs/dbraw/zinc/73/18/12/892731812.db2.gz DKYGVXHJXLRJMD-HTRCEHHLSA-N 0 3 282.304 -1.184 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CNC(=O)NC ZINC001483132854 892731999 /nfs/dbraw/zinc/73/19/99/892731999.db2.gz FPJMCXCFEQLOGM-SSDOTTSWSA-N 0 3 259.310 -2.244 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1COC(=O)N1 ZINC001483124947 892732064 /nfs/dbraw/zinc/73/20/64/892732064.db2.gz ZSGDBJSNZZITCE-PSASIEDQSA-N 0 3 298.343 -1.190 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN1CCOCC1=O ZINC001483137317 892732181 /nfs/dbraw/zinc/73/21/81/892732181.db2.gz OJRMHHKRCFFHBX-SECBINFHSA-N 0 3 286.332 -2.315 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)CC(N)=O)n[nH]1 ZINC001483115967 892732240 /nfs/dbraw/zinc/73/22/40/892732240.db2.gz CFACIKIVQMAOOC-ZCFIWIBFSA-N 0 3 254.294 -1.417 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCNC1=O ZINC001483138255 892732677 /nfs/dbraw/zinc/73/26/77/892732677.db2.gz KCICRQBJPHXNTJ-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cncnc1 ZINC001483123375 892732699 /nfs/dbraw/zinc/73/26/99/892732699.db2.gz LTESVVBRLHYXCD-MRVPVSSYSA-N 0 3 251.290 -1.070 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CNC(=O)N1CCCC1 ZINC001483127006 892732758 /nfs/dbraw/zinc/73/27/58/892732758.db2.gz DNWKXMOTUVSDRZ-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)CC(C)(C)O ZINC001483122735 892733340 /nfs/dbraw/zinc/73/33/40/892733340.db2.gz NYZBNPSZSGZJFM-MRVPVSSYSA-N 0 3 285.348 -1.136 20 0 CAADHN CCCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001483128364 892733404 /nfs/dbraw/zinc/73/34/04/892733404.db2.gz DEGICQBDUUCYBB-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1cn(C)cn1 ZINC001483120489 892733537 /nfs/dbraw/zinc/73/35/37/892733537.db2.gz MRGFLJCSKSQZRY-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CN[C@H]1CCCNC1=O ZINC001483126130 892733688 /nfs/dbraw/zinc/73/36/88/892733688.db2.gz YWJZFSHIEUWFER-ZJUUUORDSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@]12C[C@H]1COC2 ZINC001483130254 892733931 /nfs/dbraw/zinc/73/39/31/892733931.db2.gz SIGPNSMKXFDBDE-LWINAJNOSA-N 0 3 284.316 -1.688 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)NC(=O)[C@H](C)NC(N)=O)C1=O ZINC001483124523 892733947 /nfs/dbraw/zinc/73/39/47/892733947.db2.gz YYOXHDTVAASRLD-UTLUCORTSA-N 0 3 299.375 -1.242 20 0 CAADHN CCCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001483128365 892733972 /nfs/dbraw/zinc/73/39/72/892733972.db2.gz DEGICQBDUUCYBB-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)C1CN(C(C)=O)C1)C(N)=O ZINC001483122527 892734112 /nfs/dbraw/zinc/73/41/12/892734112.db2.gz JTCWLNQMQMSHIB-KCJUWKMLSA-N 0 3 284.360 -1.177 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)NC(=O)[C@H](C)NC(N)=O)C1=O ZINC001483124522 892734146 /nfs/dbraw/zinc/73/41/46/892734146.db2.gz YYOXHDTVAASRLD-KXUCPTDWSA-N 0 3 299.375 -1.242 20 0 CAADHN COCCCNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C(N)=O ZINC001483163239 892735155 /nfs/dbraw/zinc/73/51/55/892735155.db2.gz DQPRHURXJDZVLR-BDAKNGLRSA-N 0 3 288.348 -1.893 20 0 CAADHN COC[C@@H](OC)C(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001483164674 892735466 /nfs/dbraw/zinc/73/54/66/892735466.db2.gz LRENOFZNPBTTHC-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)COCc1ccnn1C ZINC001483140825 892735483 /nfs/dbraw/zinc/73/54/83/892735483.db2.gz JRURRNRQTFGDMB-NXEZZACHSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN1CCNC(=O)C1 ZINC001483156715 892735920 /nfs/dbraw/zinc/73/59/20/892735920.db2.gz SAMYZPCUCCGBQU-MRVPVSSYSA-N 0 3 271.321 -3.002 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1c[nH]nc1C ZINC001483154478 892735747 /nfs/dbraw/zinc/73/57/47/892735747.db2.gz APJZTBSJMBVUOT-SSDOTTSWSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001483162085 892735838 /nfs/dbraw/zinc/73/58/38/892735838.db2.gz HVTKTGFDWPRLGF-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001483151566 892735874 /nfs/dbraw/zinc/73/58/74/892735874.db2.gz MKPLNGLSWNPDHG-MPPDQPJWSA-N 0 3 299.371 -1.122 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)COCc1nccn1C ZINC001483139331 892735936 /nfs/dbraw/zinc/73/59/36/892735936.db2.gz IWFCLRYFGSSNKF-SNVBAGLBSA-N 0 3 297.359 -1.223 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CC1CS(=O)(=O)C1 ZINC001483145420 892735965 /nfs/dbraw/zinc/73/59/65/892735965.db2.gz YXTNSQGKFCFZQJ-HTQZYQBOSA-N 0 3 291.373 -1.611 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001483162702 892736031 /nfs/dbraw/zinc/73/60/31/892736031.db2.gz VVXRUJIOUNDPRM-RQJHMYQMSA-N 0 3 257.294 -2.492 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccoc1CC(N)=O ZINC001483161036 892736267 /nfs/dbraw/zinc/73/62/67/892736267.db2.gz SQCCVOQJYXJREQ-MRVPVSSYSA-N 0 3 296.327 -1.239 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001483162220 892736353 /nfs/dbraw/zinc/73/63/53/892736353.db2.gz MVFUNXZYAPBULW-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCN1C(=O)CCC1=O ZINC001483148134 892736417 /nfs/dbraw/zinc/73/64/17/892736417.db2.gz AWVJEBLBXSWVOH-BDAKNGLRSA-N 0 3 298.343 -1.506 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1ccc2nnnn2c1 ZINC001483150579 892736484 /nfs/dbraw/zinc/73/64/84/892736484.db2.gz ZXKVTXGIUNZLIH-HTQZYQBOSA-N 0 3 291.315 -1.294 20 0 CAADHN COCCCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C(N)=O ZINC001483163240 892736564 /nfs/dbraw/zinc/73/65/64/892736564.db2.gz DQPRHURXJDZVLR-RKDXNWHRSA-N 0 3 288.348 -1.893 20 0 CAADHN C[C@H](CNCCS(C)(=O)=O)NC(=O)C1(C(N)=O)CC1 ZINC001483164334 892736593 /nfs/dbraw/zinc/73/65/93/892736593.db2.gz YOYVLWBKMRYXNR-MRVPVSSYSA-N 0 3 291.373 -1.609 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001483161996 892736987 /nfs/dbraw/zinc/73/69/87/892736987.db2.gz XJRWBBLNMSRVSV-HTQZYQBOSA-N 0 3 281.316 -1.388 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCC(=O)N1C ZINC001483159114 892737322 /nfs/dbraw/zinc/73/73/22/892737322.db2.gz GSOYCVWIHAJFPK-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCCNC1=O ZINC001483139117 892737416 /nfs/dbraw/zinc/73/74/16/892737416.db2.gz ZLQYMDLMKVPACJ-SFYZADRCSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cnn2c1OCCC2 ZINC001483145177 892737781 /nfs/dbraw/zinc/73/77/81/892737781.db2.gz JQSMMKGWBZCHAX-MRVPVSSYSA-N 0 3 281.316 -1.141 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@]1(C)CCNC1=O ZINC001483165086 892737806 /nfs/dbraw/zinc/73/78/06/892737806.db2.gz BAZDYDVOKJPVBU-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001483144076 892737825 /nfs/dbraw/zinc/73/78/25/892737825.db2.gz KUCVWVSZUOWKER-NXEZZACHSA-N 0 3 299.375 -2.272 20 0 CAADHN C[C@H](CNCc1cncn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001483162361 892737850 /nfs/dbraw/zinc/73/78/50/892737850.db2.gz OTYPGOHQFYPCSI-PSASIEDQSA-N 0 3 280.332 -1.304 20 0 CAADHN C[C@H](C[NH2+][C@H](C)C(=O)N(C)C)NC(=O)Cc1nnc[n-]1 ZINC001483182547 892739048 /nfs/dbraw/zinc/73/90/48/892739048.db2.gz CUQXPRUASKYVPD-RKDXNWHRSA-N 0 3 282.348 -1.082 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cnn(C)n1 ZINC001483174951 892739229 /nfs/dbraw/zinc/73/92/29/892739229.db2.gz AJUYFOAUWPPVSD-HTQZYQBOSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCNC(N)=O ZINC001483192387 892739270 /nfs/dbraw/zinc/73/92/70/892739270.db2.gz OIMQHSSCSLZTEC-RNFRBKRXSA-N 0 3 259.310 -1.987 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCn1cnccc1=O ZINC001483180071 892739387 /nfs/dbraw/zinc/73/93/87/892739387.db2.gz CJSOIZQMCJOBTH-SNVBAGLBSA-N 0 3 295.343 -1.526 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N[C@H](C)CNCC(N)=O ZINC001483196831 892739415 /nfs/dbraw/zinc/73/94/15/892739415.db2.gz PNBRGMHSMYXNOB-MRVPVSSYSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)Cn1cncn1 ZINC001483191548 892739473 /nfs/dbraw/zinc/73/94/73/892739473.db2.gz GAIJSWCHDKLFMX-BDAKNGLRSA-N 0 3 266.305 -1.739 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cnn(C)n1 ZINC001483174955 892739499 /nfs/dbraw/zinc/73/94/99/892739499.db2.gz AJUYFOAUWPPVSD-SFYZADRCSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCN1CCCC1=O ZINC001483195997 892739539 /nfs/dbraw/zinc/73/95/39/892739539.db2.gz BNKCGGPYIJFQPB-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCNC(N)=O ZINC001483192388 892739569 /nfs/dbraw/zinc/73/95/69/892739569.db2.gz OIMQHSSCSLZTEC-RQJHMYQMSA-N 0 3 259.310 -1.987 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)Cn2cnnn2)n[nH]1 ZINC001483207242 892739638 /nfs/dbraw/zinc/73/96/38/892739638.db2.gz HZVQBFCHVNHEDC-ZETCQYMHSA-N 0 3 279.308 -1.606 20 0 CAADHN Cc1nn(CC(=O)N[C@H](C)CNCCF)c(=O)n1C ZINC001483190813 892739726 /nfs/dbraw/zinc/73/97/26/892739726.db2.gz SOFUAMKRKSFWEM-MRVPVSSYSA-N 0 3 273.312 -1.046 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCNC(N)=O ZINC001483192469 892740182 /nfs/dbraw/zinc/74/01/82/892740182.db2.gz RMSSFNWIZREVFO-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)Cn1cncn1 ZINC001483191549 892739947 /nfs/dbraw/zinc/73/99/47/892739947.db2.gz GAIJSWCHDKLFMX-RKDXNWHRSA-N 0 3 266.305 -1.739 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCn1cnnn1 ZINC001483177957 892740105 /nfs/dbraw/zinc/74/01/05/892740105.db2.gz QVLHTAJUZPDYOU-BDAKNGLRSA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cnccn1)C(=O)NC(N)=O ZINC001483205162 892740389 /nfs/dbraw/zinc/74/03/89/892740389.db2.gz BHUDAYBGJABCQI-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CN1CCCC1=O ZINC001483207230 892740430 /nfs/dbraw/zinc/74/04/30/892740430.db2.gz HOXYYWHQIIHPJG-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CCNC(N)=O)C(N)=O ZINC001483192151 892740617 /nfs/dbraw/zinc/74/06/17/892740617.db2.gz FUJRBMBFRUIIPF-HTQZYQBOSA-N 0 3 273.337 -1.597 20 0 CAADHN C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)Cc1nnc[n-]1 ZINC001483182471 892740724 /nfs/dbraw/zinc/74/07/24/892740724.db2.gz AGHXVKNIUCJLHF-HTQZYQBOSA-N 0 3 294.315 -1.753 20 0 CAADHN COc1ncc(C(=O)N[C@H](C)CNCC(N)=O)cn1 ZINC001483182324 892740792 /nfs/dbraw/zinc/74/07/92/892740792.db2.gz UFTWSUYKDMTWEU-SSDOTTSWSA-N 0 3 267.289 -1.322 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001483178571 892740894 /nfs/dbraw/zinc/74/08/94/892740894.db2.gz DMOPRBNKQKLXBM-MRVPVSSYSA-N 0 3 296.331 -1.498 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCCC(N)=O ZINC001483199697 892740938 /nfs/dbraw/zinc/74/09/38/892740938.db2.gz RYBTXUXCQDWQEX-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)COC ZINC001483202012 892741058 /nfs/dbraw/zinc/74/10/58/892741058.db2.gz FNERXCQZOVGWDG-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)C(=O)NCC1CC1 ZINC001483177861 892741228 /nfs/dbraw/zinc/74/12/28/892741228.db2.gz BMAZUZHPGQOCCV-SCZZXKLOSA-N 0 3 282.344 -1.505 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001483206826 892741305 /nfs/dbraw/zinc/74/13/05/892741305.db2.gz QLPKYGYUKCDEHM-DTWKUNHWSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1nccnc1N)C(N)=O ZINC001483214909 892742133 /nfs/dbraw/zinc/74/21/33/892742133.db2.gz ABLGKYNWBJQXTK-NKWVEPMBSA-N 0 3 266.305 -1.360 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1COCCO1 ZINC001483209830 892742569 /nfs/dbraw/zinc/74/25/69/892742569.db2.gz ODDUBSLAOANEBA-GXSJLCMTSA-N 0 3 285.344 -1.225 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)Cn1cccn1 ZINC001483208031 892742619 /nfs/dbraw/zinc/74/26/19/892742619.db2.gz LYSYSYSOCMBGHT-VHSXEESVSA-N 0 3 293.327 -1.217 20 0 CAADHN Cc1c(C(=O)N[C@@H](C)CN[C@@H]2CCNC2=O)nnn1C ZINC001483217277 892742840 /nfs/dbraw/zinc/74/28/40/892742840.db2.gz OUBDBZCXZLOOGA-IONNQARKSA-N 0 3 280.332 -1.280 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1ncc[nH]1 ZINC001483224282 892742966 /nfs/dbraw/zinc/74/29/66/892742966.db2.gz FVCKFLBNTZWUBF-JGVFFNPUSA-N 0 3 296.331 -1.038 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001483217915 892743254 /nfs/dbraw/zinc/74/32/54/892743254.db2.gz YQYWWYVRZDPCFC-UWVGGRQHSA-N 0 3 272.349 -1.843 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001483210142 892743596 /nfs/dbraw/zinc/74/35/96/892743596.db2.gz PGTOMLHSIMWJTO-WPRPVWTQSA-N 0 3 298.343 -1.636 20 0 CAADHN C[C@@H](CN[C@H]1CCCN(C)C1=O)NC(=O)CC(N)=O ZINC001483216026 892743730 /nfs/dbraw/zinc/74/37/30/892743730.db2.gz VYLGHDWMVCXISK-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cocn1)C(=O)NC(N)=O ZINC001483214866 892743897 /nfs/dbraw/zinc/74/38/97/892743897.db2.gz SIVRHASWXYYYIU-NKWVEPMBSA-N 0 3 283.288 -1.034 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001483217921 892743996 /nfs/dbraw/zinc/74/39/96/892743996.db2.gz YQYWWYVRZDPCFC-VHSXEESVSA-N 0 3 272.349 -1.843 20 0 CAADHN Cc1c(C(=O)N[C@@H](C)CNCC(N)=O)cnn1C ZINC001483209657 892744186 /nfs/dbraw/zinc/74/41/86/892744186.db2.gz DNHFQMWRSMRAQV-ZETCQYMHSA-N 0 3 253.306 -1.078 20 0 CAADHN CCCOCC(=O)N[C@@H](C)CNCC(=O)NC(=O)NC ZINC001483213321 892744306 /nfs/dbraw/zinc/74/43/06/892744306.db2.gz IPKHUJMWHIPMKQ-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)c1cnnn1C ZINC001483224735 892744522 /nfs/dbraw/zinc/74/45/22/892744522.db2.gz QQAKZUADABHSJI-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN(C)C(C)=O ZINC001483210757 892744817 /nfs/dbraw/zinc/74/48/17/892744817.db2.gz XPDXKFZGOAAMCP-QMMMGPOBSA-N 0 3 258.322 -1.695 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001483224579 892744836 /nfs/dbraw/zinc/74/48/36/892744836.db2.gz OTPCCVNFMGSJQZ-IUCAKERBSA-N 0 3 286.332 -1.286 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H](C)CNCC(=O)NC ZINC001483221480 892744913 /nfs/dbraw/zinc/74/49/13/892744913.db2.gz ZLHAAWZVVQSKMT-QMMMGPOBSA-N 0 3 258.322 -1.647 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)CC(N)=O ZINC001483214912 892745148 /nfs/dbraw/zinc/74/51/48/892745148.db2.gz AEPVFOAJQOQGEC-VIFPVBQESA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)CC(N)=O ZINC001483216025 892745234 /nfs/dbraw/zinc/74/52/34/892745234.db2.gz VYLGHDWMVCXISK-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001483222138 892745464 /nfs/dbraw/zinc/74/54/64/892745464.db2.gz OLGNLVDXBMAANB-BIIVOSGPSA-N 0 3 273.337 -1.599 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001483233339 892746483 /nfs/dbraw/zinc/74/64/83/892746483.db2.gz SEGJAMZOBDRZTH-QMMMGPOBSA-N 0 3 273.337 -1.902 20 0 CAADHN C[C@@H](CNCc1ccnn1C)NC(=O)[C@H]1CNC(=O)N1 ZINC001483260466 892746581 /nfs/dbraw/zinc/74/65/81/892746581.db2.gz FJRZVNOLTRKNMM-WCBMZHEXSA-N 0 3 280.332 -1.304 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001483245938 892747626 /nfs/dbraw/zinc/74/76/26/892747626.db2.gz AVZHOXRXBJEJOU-IUCAKERBSA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001483257480 892747113 /nfs/dbraw/zinc/74/71/13/892747113.db2.gz IJOOROJMFHAFBO-SQXHDICFSA-N 0 3 255.318 -1.153 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1coc(C(N)=O)c1 ZINC001483251456 892747237 /nfs/dbraw/zinc/74/72/37/892747237.db2.gz ARQWZZHALJJUHX-IONNQARKSA-N 0 3 294.311 -1.025 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccc(C(N)=O)o1 ZINC001483246300 892747266 /nfs/dbraw/zinc/74/72/66/892747266.db2.gz MCOZTFFIESWKGH-JGVFFNPUSA-N 0 3 294.311 -1.025 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)Cc1cnoc1 ZINC001483257582 892747571 /nfs/dbraw/zinc/74/75/71/892747571.db2.gz FSMGNFXGKAAUTO-QMMMGPOBSA-N 0 3 297.315 -1.233 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H](C)CC(N)=O ZINC001483254258 892747649 /nfs/dbraw/zinc/74/76/49/892747649.db2.gz CESKOUXETWZXGV-IUCAKERBSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CN1CCOCC1=O ZINC001483235895 892747719 /nfs/dbraw/zinc/74/77/19/892747719.db2.gz JRNYMKCBZODBOZ-QMMMGPOBSA-N 0 3 272.305 -2.575 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cncn1C ZINC001483244977 892747736 /nfs/dbraw/zinc/74/77/36/892747736.db2.gz ITZOLLYLGDWIEG-DTWKUNHWSA-N 0 3 293.327 -1.067 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001483239136 892747779 /nfs/dbraw/zinc/74/77/79/892747779.db2.gz ONPADNGFPOATKM-IVZWLZJFSA-N 0 3 282.344 -1.362 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001483255368 892747994 /nfs/dbraw/zinc/74/79/94/892747994.db2.gz QCFROAOVNRSKPX-DTWKUNHWSA-N 0 3 285.348 -2.614 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001483257544 892748060 /nfs/dbraw/zinc/74/80/60/892748060.db2.gz DNHQONPYCWNHTQ-HBNTYKKESA-N 0 3 296.371 -1.068 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)COCc1ccnn1C ZINC001483238940 892748173 /nfs/dbraw/zinc/74/81/73/892748173.db2.gz WRTKFWRHRATKPD-VIFPVBQESA-N 0 3 283.332 -1.484 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001483239137 892748224 /nfs/dbraw/zinc/74/82/24/892748224.db2.gz ONPADNGFPOATKM-LPEHRKFASA-N 0 3 282.344 -1.362 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H](OC)c1cnn(C)c1 ZINC001483252622 892748297 /nfs/dbraw/zinc/74/82/97/892748297.db2.gz WGUHRQHRGOYKJM-JOYOIKCWSA-N 0 3 297.359 -1.052 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)Cn1ncn(C)c1=O ZINC001483242727 892748359 /nfs/dbraw/zinc/74/83/59/892748359.db2.gz UYIGGTMFNIIQML-ZETCQYMHSA-N 0 3 270.293 -2.839 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cc2n(n1)CCCO2 ZINC001483247686 892748392 /nfs/dbraw/zinc/74/83/92/892748392.db2.gz SYBZORLGMVMMMC-QMMMGPOBSA-N 0 3 281.316 -1.141 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccn(C)c(=O)c1)C(N)=O ZINC001483241263 892748551 /nfs/dbraw/zinc/74/85/51/892748551.db2.gz QTVQYRGXSWAEFH-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001483254257 892748714 /nfs/dbraw/zinc/74/87/14/892748714.db2.gz CESKOUXETWZXGV-BDAKNGLRSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCCNC1=O ZINC001483238152 892748837 /nfs/dbraw/zinc/74/88/37/892748837.db2.gz ZLQYMDLMKVPACJ-YUMQZZPRSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001483234047 892748942 /nfs/dbraw/zinc/74/89/42/892748942.db2.gz IHVULJSSOIDYOW-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1)C(N)=O ZINC001483262970 892750603 /nfs/dbraw/zinc/75/06/03/892750603.db2.gz MSEIKIKGYDDTOJ-SXMVTHIZSA-N 0 3 270.333 -1.377 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001483269425 892750860 /nfs/dbraw/zinc/75/08/60/892750860.db2.gz LLZFGHIBZMBEAR-FXQIFTODSA-N 0 3 297.315 -2.433 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001483273990 892750936 /nfs/dbraw/zinc/75/09/36/892750936.db2.gz IOESMXXXLFDCOK-IUCAKERBSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O)CC1 ZINC001483275672 892750966 /nfs/dbraw/zinc/75/09/66/892750966.db2.gz ZGXGZNOFYLMJKL-YUMQZZPRSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001483262067 892751043 /nfs/dbraw/zinc/75/10/43/892751043.db2.gz HZZFLEIMWYTBNH-DTWKUNHWSA-N 0 3 284.360 -1.177 20 0 CAADHN COCCCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)C(N)=O ZINC001483261970 892751055 /nfs/dbraw/zinc/75/10/55/892751055.db2.gz DQPRHURXJDZVLR-DTWKUNHWSA-N 0 3 288.348 -1.893 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](C)CN[C@H]2CCCNC2=O)CC1 ZINC001483275625 892751180 /nfs/dbraw/zinc/75/11/80/892751180.db2.gz XEUHSDYJQSCKOY-UWVGGRQHSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001483271519 892751803 /nfs/dbraw/zinc/75/18/03/892751803.db2.gz XHSCZLHUFUXENV-QMMMGPOBSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cnn(C)n1)C(=O)N(C)C ZINC001483274874 892751819 /nfs/dbraw/zinc/75/18/19/892751819.db2.gz DNPWEVNRQWMNDC-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001483263685 892751545 /nfs/dbraw/zinc/75/15/45/892751545.db2.gz YDBAFIVYHFLKOQ-ZANVPECISA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001483282930 892751691 /nfs/dbraw/zinc/75/16/91/892751691.db2.gz DAUAPFMFOLDFPC-ZETCQYMHSA-N 0 3 254.294 -1.813 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCCCN(C)C1=O ZINC001483282356 892751882 /nfs/dbraw/zinc/75/18/82/892751882.db2.gz OWBIGRYGXDKJLG-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCNC(N)=O ZINC001483292377 892752179 /nfs/dbraw/zinc/75/21/79/892752179.db2.gz KFZSWOAKLVSGTD-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001483277894 892752235 /nfs/dbraw/zinc/75/22/35/892752235.db2.gz JWESYFOEYKCSMN-IONNQARKSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CN1C(=O)CNC1=O ZINC001483291384 892752300 /nfs/dbraw/zinc/75/23/00/892752300.db2.gz YIQGFQJADIGMBZ-QMMMGPOBSA-N 0 3 299.331 -2.279 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001483269855 892753003 /nfs/dbraw/zinc/75/30/03/892753003.db2.gz AGIHROFHYYMBFK-BQBZGAKWSA-N 0 3 280.350 -2.496 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cnc2cccnn21 ZINC001483272595 892753054 /nfs/dbraw/zinc/75/30/54/892753054.db2.gz DEKNKJZAQCJEGC-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cncc(OC)n1 ZINC001483272350 892753184 /nfs/dbraw/zinc/75/31/84/892753184.db2.gz UEHZRGDKUUNPNS-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN Cc1nonc1C(=O)N[C@@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001483299628 892754540 /nfs/dbraw/zinc/75/45/40/892754540.db2.gz DWFRTTPAUZDXJU-XPUUQOCRSA-N 0 3 295.299 -1.109 20 0 CAADHN C[C@@H](CNCCF)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001483292885 892754572 /nfs/dbraw/zinc/75/45/72/892754572.db2.gz CDEBXRIFRCYZBG-JGVFFNPUSA-N 0 3 267.326 -1.258 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCc2nncn2C1 ZINC001483297369 892754778 /nfs/dbraw/zinc/75/47/78/892754778.db2.gz UVHRTCOTWJBTBF-UWVGGRQHSA-N 0 3 294.359 -1.319 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CNC(=O)C1CC1 ZINC001483313514 892754866 /nfs/dbraw/zinc/75/48/66/892754866.db2.gz OVYJBXQWOLSUEQ-VIFPVBQESA-N 0 3 257.334 -1.059 20 0 CAADHN CC(=O)N[C@H](C)CN(C)CCN1C(=O)CNC1=O ZINC001483302706 892755320 /nfs/dbraw/zinc/75/53/20/892755320.db2.gz DRNMOBHWTYNSOC-MRVPVSSYSA-N 0 3 256.306 -1.005 20 0 CAADHN C[C@@H](CNCCF)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001483292886 892755791 /nfs/dbraw/zinc/75/57/91/892755791.db2.gz CDEBXRIFRCYZBG-YUMQZZPRSA-N 0 3 267.326 -1.258 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccn(C)n1 ZINC001483294759 892757096 /nfs/dbraw/zinc/75/70/96/892757096.db2.gz ZUQYUDSYMVZESZ-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001483311002 892757315 /nfs/dbraw/zinc/75/73/15/892757315.db2.gz MDPJWHRHVUICDO-VIFPVBQESA-N 0 3 256.310 -1.244 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)C1CC(=O)NC(=O)C1 ZINC001483396984 892758660 /nfs/dbraw/zinc/75/86/60/892758660.db2.gz SUTYVCCJJWFLBG-QMMMGPOBSA-N 0 3 271.317 -1.532 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CN1CCN(C)C(=O)C1 ZINC001483357933 892759247 /nfs/dbraw/zinc/75/92/47/892759247.db2.gz UPPSBMOBIXQQJH-NSHDSACASA-N 0 3 286.376 -1.811 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)c1nnn(C)n1 ZINC001483376185 892759343 /nfs/dbraw/zinc/75/93/43/892759343.db2.gz ZMFDNBBFGKJBGN-DTWKUNHWSA-N 0 3 286.336 -1.733 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001483383241 892760313 /nfs/dbraw/zinc/76/03/13/892760313.db2.gz VMASLQFIGRRBIW-UWVGGRQHSA-N 0 3 287.360 -1.304 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CN(C)CCO ZINC001483358004 892760364 /nfs/dbraw/zinc/76/03/64/892760364.db2.gz QQRCNELUWVMIRG-VIFPVBQESA-N 0 3 288.348 -2.333 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001483376187 892760798 /nfs/dbraw/zinc/76/07/98/892760798.db2.gz ZMFDNBBFGKJBGN-RKDXNWHRSA-N 0 3 286.336 -1.733 20 0 CAADHN C[C@@H](CN(C)[C@@H](C)C(N)=O)NC(=O)Cc1nnc[nH]1 ZINC001483406050 892761878 /nfs/dbraw/zinc/76/18/78/892761878.db2.gz PTUDMHGIOONUGC-YUMQZZPRSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)CN1CCCC1=O)C1CC1)C(N)=O ZINC001483543548 892766675 /nfs/dbraw/zinc/76/66/75/892766675.db2.gz UVMHFHKHDJODQX-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CNC(C)=O)C1CC1 ZINC001483542219 892766825 /nfs/dbraw/zinc/76/68/25/892766825.db2.gz XJPGHUZDIXZZJH-SNVBAGLBSA-N 0 3 270.333 -1.647 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CNC(C)=O)C1CC1 ZINC001483542217 892766879 /nfs/dbraw/zinc/76/68/79/892766879.db2.gz XJPGHUZDIXZZJH-JTQLQIEISA-N 0 3 270.333 -1.647 20 0 CAADHN CNC(=O)NC(=O)C[NH2+]CCCN(C)C(=O)c1nc[n-]n1 ZINC001483498719 892767613 /nfs/dbraw/zinc/76/76/13/892767613.db2.gz IZRLJZKFJIWQES-UHFFFAOYSA-N 0 3 297.319 -1.688 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001483600166 892768638 /nfs/dbraw/zinc/76/86/38/892768638.db2.gz FNJYWILYMJSOKF-UWVGGRQHSA-N 0 3 282.344 -1.505 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)c1nccnc1N)C1CC1 ZINC001483549424 892768679 /nfs/dbraw/zinc/76/86/79/892768679.db2.gz WWCLLDHMWZEKPZ-QMMMGPOBSA-N 0 3 278.316 -1.358 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001483558463 892768757 /nfs/dbraw/zinc/76/87/57/892768757.db2.gz PCQBZBNQQKPVJA-SCZZXKLOSA-N 0 3 299.375 -1.336 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001483584372 892769064 /nfs/dbraw/zinc/76/90/64/892769064.db2.gz WGPTZCYTTJOUQJ-JTQLQIEISA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@H](CC(=O)N[C@H](CNCC(N)=O)C1CC1)NC(N)=O ZINC001483561029 892769119 /nfs/dbraw/zinc/76/91/19/892769119.db2.gz JZSJYQYFIRSTBN-VXNVDRBHSA-N 0 3 285.348 -1.597 20 0 CAADHN Cn1c(C(=O)N[C@@H](CNCC(N)=O)C2CC2)c[nH]c1=O ZINC001483581513 892769200 /nfs/dbraw/zinc/76/92/00/892769200.db2.gz ZTHMBRIWRVBTIC-QMMMGPOBSA-N 0 3 281.316 -1.291 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001483549299 892769453 /nfs/dbraw/zinc/76/94/53/892769453.db2.gz HAUSNQVQVWVSGN-SECBINFHSA-N 0 3 270.333 -1.518 20 0 CAADHN NC(=O)C(=O)N[C@@H](CNCC(=O)N1CCCCC1)C1CC1 ZINC001483583777 892769571 /nfs/dbraw/zinc/76/95/71/892769571.db2.gz PSFDAJBLQZJDMT-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001483596268 892769852 /nfs/dbraw/zinc/76/98/52/892769852.db2.gz KNOCOBRUWIUGQL-SECBINFHSA-N 0 3 265.317 -1.078 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)C(N)=O)C1CC1 ZINC001483582972 892769988 /nfs/dbraw/zinc/76/99/88/892769988.db2.gz IGFGOPWNNUGENU-QMMMGPOBSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CCn1cncn1)C1CC1 ZINC001483545577 892770229 /nfs/dbraw/zinc/77/02/29/892770229.db2.gz SVMQRFNVKARSRG-NSHDSACASA-N 0 3 294.359 -1.101 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@]12C[C@H]1COC2)C1CC1 ZINC001483564728 892770252 /nfs/dbraw/zinc/77/02/52/892770252.db2.gz QYOMMCNVRJLPQZ-CWSCBRNRSA-N 0 3 267.329 -1.007 20 0 CAADHN Cc1nc(CNC[C@H](NC(=O)CC(N)=O)C2CC2)n[nH]1 ZINC001483548039 892770649 /nfs/dbraw/zinc/77/06/49/892770649.db2.gz JYRGCZBQZTYXKI-VIFPVBQESA-N 0 3 280.332 -1.027 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001483604276 892770675 /nfs/dbraw/zinc/77/06/75/892770675.db2.gz NPZUZUGOWJYLCZ-PSASIEDQSA-N 0 3 299.375 -1.336 20 0 CAADHN NC(=O)C(=O)N[C@H](CN[C@H]1CCCNC1=O)C1CC1 ZINC001483584037 892770865 /nfs/dbraw/zinc/77/08/65/892770865.db2.gz SPSHIAQXNYNBNJ-DTWKUNHWSA-N 0 3 268.317 -1.765 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)Cc1ncc[nH]1)C1CC1 ZINC001483596269 892770964 /nfs/dbraw/zinc/77/09/64/892770964.db2.gz KNOCOBRUWIUGQL-VIFPVBQESA-N 0 3 265.317 -1.078 20 0 CAADHN CS(=O)(=O)CCC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001483570713 892771295 /nfs/dbraw/zinc/77/12/95/892771295.db2.gz MGQAFPFMEHOQQO-VIFPVBQESA-N 0 3 291.373 -1.609 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001483579787 892771215 /nfs/dbraw/zinc/77/12/15/892771215.db2.gz MHVKXSYKSJAJLZ-ZJUUUORDSA-N 0 3 297.359 -1.760 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)Cn1ccccc1=O)C1CC1 ZINC001483605016 892773343 /nfs/dbraw/zinc/77/33/43/892773343.db2.gz CAOKZYSNXKDSCF-LLVKDONJSA-N 0 3 292.339 -1.182 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001483604278 892775313 /nfs/dbraw/zinc/77/53/13/892775313.db2.gz NPZUZUGOWJYLCZ-WCBMZHEXSA-N 0 3 299.375 -1.336 20 0 CAADHN COCCCN1CC[C@@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001483661380 892777106 /nfs/dbraw/zinc/77/71/06/892777106.db2.gz JOOYHYWHOKLOLV-LLVKDONJSA-N 0 3 297.359 -1.191 20 0 CAADHN COC[C@H](O)CN1CC[C@](C)(NC(=O)C(N)=O)C1 ZINC001484059730 892801912 /nfs/dbraw/zinc/80/19/12/892801912.db2.gz YDWYNULWWLWSHR-KCJUWKMLSA-N 0 3 259.306 -1.940 20 0 CAADHN CN1CC(C(=O)NC[C@H]2CCN2CCOCCO)=NC1=O ZINC001483677389 892782191 /nfs/dbraw/zinc/78/21/91/892782191.db2.gz PKUAJAUCFQRSPJ-SNVBAGLBSA-N 0 3 298.343 -1.061 20 0 CAADHN COC[C@H](O)CN1CC[C@H]1CNC(=O)c1ncn[nH]1 ZINC001483687111 892782444 /nfs/dbraw/zinc/78/24/44/892782444.db2.gz ATXLVOLPAYFKHR-DTWKUNHWSA-N 0 3 269.305 -1.384 20 0 CAADHN COC[C@H](O)CN1CC[C@H]1CNC(=O)c1nc[nH]n1 ZINC001483687111 892782470 /nfs/dbraw/zinc/78/24/70/892782470.db2.gz ATXLVOLPAYFKHR-DTWKUNHWSA-N 0 3 269.305 -1.384 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@H]1CCN1CC(N)=O ZINC001483696187 892782833 /nfs/dbraw/zinc/78/28/33/892782833.db2.gz HPILBBCHJYWNSN-SECBINFHSA-N 0 3 265.317 -1.064 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001483687110 892783413 /nfs/dbraw/zinc/78/34/13/892783413.db2.gz ATXLVOLPAYFKHR-BDAKNGLRSA-N 0 3 269.305 -1.384 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001483687110 892783421 /nfs/dbraw/zinc/78/34/21/892783421.db2.gz ATXLVOLPAYFKHR-BDAKNGLRSA-N 0 3 269.305 -1.384 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001483725139 892785802 /nfs/dbraw/zinc/78/58/02/892785802.db2.gz SWNNXXRQZFSDAY-LLVKDONJSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1)C(N)=O ZINC001483758127 892787246 /nfs/dbraw/zinc/78/72/46/892787246.db2.gz BGCFVAXCCWOFRR-IUCAKERBSA-N 0 3 297.359 -1.488 20 0 CAADHN NC(=O)C(=O)NCC1(NC[C@H](O)CN2CCCC2=O)CC1 ZINC001483763439 892790854 /nfs/dbraw/zinc/79/08/54/892790854.db2.gz FMUNYAISQHUPKA-VIFPVBQESA-N 0 3 298.343 -2.307 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC[C@H]2CNCC(N)=O)CC1=O ZINC001483932886 892794926 /nfs/dbraw/zinc/79/49/26/892794926.db2.gz SWUJCPGJOSVJAF-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001483942447 892795273 /nfs/dbraw/zinc/79/52/73/892795273.db2.gz NBTWKLGPZFYMMT-MRVPVSSYSA-N 0 3 256.306 -1.860 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)CNC(=O)C1CC1)C(N)=O ZINC001483921694 892795376 /nfs/dbraw/zinc/79/53/76/892795376.db2.gz ONUXNUYZEOJJEC-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C(N)=O ZINC001483942448 892795762 /nfs/dbraw/zinc/79/57/62/892795762.db2.gz NBTWKLGPZFYMMT-QMMMGPOBSA-N 0 3 256.306 -1.860 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCCO1 ZINC001483919172 892796795 /nfs/dbraw/zinc/79/67/95/892796795.db2.gz CYSQTJBJCCWLOD-UWVGGRQHSA-N 0 3 298.343 -1.059 20 0 CAADHN C[C@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(CCOCCO)C1 ZINC001484057039 892798798 /nfs/dbraw/zinc/79/87/98/892798798.db2.gz GNOIBPHAJPCKFD-SUNKGSAMSA-N 0 3 299.371 -1.303 20 0 CAADHN COCC(=O)NCC1(NCC(=O)N(C)C)CCOCC1 ZINC001484178316 892799778 /nfs/dbraw/zinc/79/97/78/892799778.db2.gz HDZORAIWEDKNJT-UHFFFAOYSA-N 0 3 287.360 -1.024 20 0 CAADHN Cn1cnn(CC(=O)N[C@]2(C)CCN(CCO)C2)c1=O ZINC001484050090 892799797 /nfs/dbraw/zinc/79/97/97/892799797.db2.gz RPGOYWUACHMZAD-GFCCVEGCSA-N 0 3 283.332 -1.845 20 0 CAADHN C[C@@]1(NC(=O)CN2CCC(=O)NC2=O)CCN(CCO)C1 ZINC001484065005 892803065 /nfs/dbraw/zinc/80/30/65/892803065.db2.gz QSYZPKXWFKMCNW-CYBMUJFWSA-N 0 3 298.343 -1.499 20 0 CAADHN Cc1cnc(C(=O)NC[C@@]2(O)CCN(CCO)C2)cn1 ZINC001484203440 892806335 /nfs/dbraw/zinc/80/63/35/892806335.db2.gz UXGNKSHIUWHNEB-ZDUSSCGKSA-N 0 3 280.328 -1.056 20 0 CAADHN Cn1nccc1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001484206817 892806378 /nfs/dbraw/zinc/80/63/78/892806378.db2.gz BBNSYMNSEGXCTJ-LBPRGKRZSA-N 0 3 268.317 -1.421 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001484200822 892806743 /nfs/dbraw/zinc/80/67/43/892806743.db2.gz BCMONEBLLCTQFO-GFCCVEGCSA-N 0 3 273.333 -1.678 20 0 CAADHN NC(=O)C(=O)NC[C@H]1CN(CCCO)CCC1(F)F ZINC001484198037 892808351 /nfs/dbraw/zinc/80/83/51/892808351.db2.gz FCDMQLZJSSMUPU-QMMMGPOBSA-N 0 3 279.287 -1.073 20 0 CAADHN Cc1cnc(C(=O)NC[C@]2(O)CCN(CCO)C2)cn1 ZINC001484203436 892809807 /nfs/dbraw/zinc/80/98/07/892809807.db2.gz UXGNKSHIUWHNEB-CYBMUJFWSA-N 0 3 280.328 -1.056 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001484209094 892810812 /nfs/dbraw/zinc/81/08/12/892810812.db2.gz YCIGSOLUISHFKD-CYBMUJFWSA-N 0 3 287.360 -1.336 20 0 CAADHN O=C(CN1CCCCC1=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001484225415 892811825 /nfs/dbraw/zinc/81/18/25/892811825.db2.gz NMYQAFPEOMLIJR-AWEZNQCLSA-N 0 3 299.371 -1.456 20 0 CAADHN Cc1ccnc(C(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001484216066 892811886 /nfs/dbraw/zinc/81/18/86/892811886.db2.gz JXEDAIOMKVWBLI-CYBMUJFWSA-N 0 3 280.328 -1.056 20 0 CAADHN C[C@@H](C(=O)NC[C@]1(O)CCN(CCO)C1)n1cncn1 ZINC001484213283 892812576 /nfs/dbraw/zinc/81/25/76/892812576.db2.gz HPHHYPNWXHFKHM-CMPLNLGQSA-N 0 3 283.332 -1.616 20 0 CAADHN O=C(C[C@H]1CCCC(=O)N1)NC[C@@]1(O)CCN(CCO)C1 ZINC001484227163 892813364 /nfs/dbraw/zinc/81/33/64/892813364.db2.gz BNBYTEJZXPNXGW-RISCZKNCSA-N 0 3 299.371 -1.410 20 0 CAADHN Cc1cncn1CC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001484229654 892813554 /nfs/dbraw/zinc/81/35/54/892813554.db2.gz IDGRAICFFPJYFB-CYBMUJFWSA-N 0 3 282.344 -1.263 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001484229655 892814391 /nfs/dbraw/zinc/81/43/91/892814391.db2.gz IDGRAICFFPJYFB-ZDUSSCGKSA-N 0 3 282.344 -1.263 20 0 CAADHN O=C(CCn1ccnc1)NC[C@]1(O)CCN(CCO)C1 ZINC001484232119 892814863 /nfs/dbraw/zinc/81/48/63/892814863.db2.gz SVDSWYRTBZMXMK-CYBMUJFWSA-N 0 3 282.344 -1.182 20 0 CAADHN O=C(C[C@@H]1CCCC(=O)N1)NC[C@]1(O)CCN(CCO)C1 ZINC001484227164 892815153 /nfs/dbraw/zinc/81/51/53/892815153.db2.gz BNBYTEJZXPNXGW-SMDDNHRTSA-N 0 3 299.371 -1.410 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@H]1CCCC(=O)N1 ZINC001484226670 892815395 /nfs/dbraw/zinc/81/53/95/892815395.db2.gz USBSITZQWIZBHQ-ZWNOBZJWSA-N 0 3 285.344 -1.800 20 0 CAADHN C[C@@H](C(=O)NC[C@@]1(O)CCN(CCO)C1)n1cncn1 ZINC001484213284 892815486 /nfs/dbraw/zinc/81/54/86/892815486.db2.gz HPHHYPNWXHFKHM-JQWIXIFHSA-N 0 3 283.332 -1.616 20 0 CAADHN CO[C@H](C(=O)NC[C@]1(O)CCN(CCO)C1)C1CC1 ZINC001484218701 892815691 /nfs/dbraw/zinc/81/56/91/892815691.db2.gz YQCOQDPYDOVKGS-WCQYABFASA-N 0 3 272.345 -1.043 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001484215515 892815887 /nfs/dbraw/zinc/81/58/87/892815887.db2.gz GSGDDIDLRYOEKM-LBPRGKRZSA-N 0 3 283.332 -1.372 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)co1 ZINC001484229008 892816166 /nfs/dbraw/zinc/81/61/66/892816166.db2.gz CPMQXMNUHVVQSG-CYBMUJFWSA-N 0 3 297.311 -1.463 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001484226018 892816526 /nfs/dbraw/zinc/81/65/26/892816526.db2.gz PQVAUWMOTPHJDS-BXUZGUMPSA-N 0 3 299.371 -1.146 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)co1 ZINC001484229013 892817570 /nfs/dbraw/zinc/81/75/70/892817570.db2.gz CPMQXMNUHVVQSG-ZDUSSCGKSA-N 0 3 297.311 -1.463 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@H]1CCCC(=O)N1 ZINC001484226669 892818467 /nfs/dbraw/zinc/81/84/67/892818467.db2.gz USBSITZQWIZBHQ-MFKMUULPSA-N 0 3 285.344 -1.800 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001484228312 892818903 /nfs/dbraw/zinc/81/89/03/892818903.db2.gz FTDGHONCRXGAML-BXKDBHETSA-N 0 3 273.333 -1.957 20 0 CAADHN CNC(=O)CCCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001484213118 892819157 /nfs/dbraw/zinc/81/91/57/892819157.db2.gz DTNAMPXDFYFWOK-ZDUSSCGKSA-N 0 3 287.360 -1.552 20 0 CAADHN CO[C@@H](C(=O)NC[C@@]1(O)CCN(CCO)C1)C1CC1 ZINC001484218702 892819272 /nfs/dbraw/zinc/81/92/72/892819272.db2.gz YQCOQDPYDOVKGS-YPMHNXCESA-N 0 3 272.345 -1.043 20 0 CAADHN Cc1nonc1CC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001484243760 892820775 /nfs/dbraw/zinc/82/07/75/892820775.db2.gz GGFDUQQRQLEEGR-LBPRGKRZSA-N 0 3 284.316 -1.534 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@]2(O)CCN(CCO)C2)CC1 ZINC001484245491 892821375 /nfs/dbraw/zinc/82/13/75/892821375.db2.gz RVWXPRWFUQBMNY-GFCCVEGCSA-N 0 3 285.344 -1.942 20 0 CAADHN CO[C@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001484247420 892821562 /nfs/dbraw/zinc/82/15/62/892821562.db2.gz SQQJLGRLZAUOGG-ZWNOBZJWSA-N 0 3 297.359 -1.065 20 0 CAADHN CO[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001484247420 892821582 /nfs/dbraw/zinc/82/15/82/892821582.db2.gz SQQJLGRLZAUOGG-ZWNOBZJWSA-N 0 3 297.359 -1.065 20 0 CAADHN CCn1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)nn1 ZINC001484242986 892821881 /nfs/dbraw/zinc/82/18/81/892821881.db2.gz OOLLWGWHHZZLKX-LBPRGKRZSA-N 0 3 283.332 -1.543 20 0 CAADHN CO[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001484247416 892822671 /nfs/dbraw/zinc/82/26/71/892822671.db2.gz SQQJLGRLZAUOGG-GXFFZTMASA-N 0 3 297.359 -1.065 20 0 CAADHN CO[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001484247416 892822687 /nfs/dbraw/zinc/82/26/87/892822687.db2.gz SQQJLGRLZAUOGG-GXFFZTMASA-N 0 3 297.359 -1.065 20 0 CAADHN COc1cncc(C(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001484242614 892826019 /nfs/dbraw/zinc/82/60/19/892826019.db2.gz XKJAOMXMNLCNIQ-ZDUSSCGKSA-N 0 3 296.327 -1.356 20 0 CAADHN COCCCN1CC(O)(CNC(=O)CCc2cnn[nH]2)C1 ZINC001484296386 892850169 /nfs/dbraw/zinc/85/01/69/892850169.db2.gz MWAWDTIEQCLCTP-UHFFFAOYSA-N 0 3 297.359 -1.063 20 0 CAADHN C[C@@H]1CN(C(=O)CCc2nnc[n-]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001484366087 892851229 /nfs/dbraw/zinc/85/12/29/892851229.db2.gz LKJYUEFUMJKSQE-ZJUUUORDSA-N 0 3 294.359 -1.093 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(O)CN(CCO)C1 ZINC001484311530 892851710 /nfs/dbraw/zinc/85/17/10/892851710.db2.gz BVPRUHKWQJTIJT-UHFFFAOYSA-N 0 3 259.350 -1.518 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2C1 ZINC001484402613 892854143 /nfs/dbraw/zinc/85/41/43/892854143.db2.gz SVPURXQTPNGQKH-GRYCIOLGSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H](O)CN1CCC[C@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001484426214 892857596 /nfs/dbraw/zinc/85/75/96/892857596.db2.gz JEUQIKXWJRMITF-PWSUYJOCSA-N 0 3 298.347 -2.003 20 0 CAADHN C[C@H](O)CN1CCC[C@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001484426213 892859831 /nfs/dbraw/zinc/85/98/31/892859831.db2.gz JEUQIKXWJRMITF-JQWIXIFHSA-N 0 3 298.347 -2.003 20 0 CAADHN O=C(c1cn[nH]c1)N(CCO)CCN[C@H]1CCCNC1=O ZINC001484475751 892861277 /nfs/dbraw/zinc/86/12/77/892861277.db2.gz HETKFSNQOLCNAO-NSHDSACASA-N 0 3 295.343 -1.288 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)[C@H]1CCOC1)C(N)=O ZINC001484477237 892861353 /nfs/dbraw/zinc/86/13/53/892861353.db2.gz IOCAMTSKNNOGAL-QWRGUYRKSA-N 0 3 287.360 -1.303 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)[C@@H]1CCOC1)C(N)=O ZINC001484477232 892861510 /nfs/dbraw/zinc/86/15/10/892861510.db2.gz IOCAMTSKNNOGAL-MNOVXSKESA-N 0 3 287.360 -1.303 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1cc[nH]c(=O)c1 ZINC001484479990 892861656 /nfs/dbraw/zinc/86/16/56/892861656.db2.gz RCJNOXDCYHEQGU-UHFFFAOYSA-N 0 3 282.300 -1.703 20 0 CAADHN CC(=O)N(CCO)CCNCC(=O)N1CCOCC1 ZINC001484474191 892862344 /nfs/dbraw/zinc/86/23/44/892862344.db2.gz YULRVOBXYKHXHC-UHFFFAOYSA-N 0 3 273.333 -1.724 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H](C)OC ZINC001484477797 892862389 /nfs/dbraw/zinc/86/23/89/892862389.db2.gz WCMAWAGVAQKDFE-SECBINFHSA-N 0 3 261.322 -1.822 20 0 CAADHN O=C(C[C@H]1CCCO1)N(CCO)CCN[C@H]1CCNC1=O ZINC001484476559 892862726 /nfs/dbraw/zinc/86/27/26/892862726.db2.gz ZXWNHGKVQZRYDW-NEPJUHHUSA-N 0 3 299.371 -1.146 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1ccnn1C)C(N)=O ZINC001484477089 892863224 /nfs/dbraw/zinc/86/32/24/892863224.db2.gz DZMZNDUKWRXLQC-SNVBAGLBSA-N 0 3 297.359 -1.292 20 0 CAADHN CC[C@@H](OC)C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484478118 892863266 /nfs/dbraw/zinc/86/32/66/892863266.db2.gz GWAJTVQYFBSOJF-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(C1CCOCC1)N(CCO)CCN[C@H]1CCNC1=O ZINC001484473807 892863432 /nfs/dbraw/zinc/86/34/32/892863432.db2.gz JTUYLAKLAJJJAL-LBPRGKRZSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(c1ccc[nH]1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484475543 892863707 /nfs/dbraw/zinc/86/37/07/892863707.db2.gz ZDJGDTWFWAOYAZ-SNVBAGLBSA-N 0 3 280.328 -1.073 20 0 CAADHN CO[C@@H](C)C(=O)N(CCO)CCN[C@H]1CCN(C)C1=O ZINC001484477342 892863771 /nfs/dbraw/zinc/86/37/71/892863771.db2.gz JPEYNBUGHAOVKM-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN O=C(c1cc[nH]n1)N(CCO)CCN[C@H]1CCCNC1=O ZINC001484476093 892864423 /nfs/dbraw/zinc/86/44/23/892864423.db2.gz RADLQSRNQUMUQR-JTQLQIEISA-N 0 3 295.343 -1.288 20 0 CAADHN CO[C@H](C)C(=O)N(CCO)CCN[C@@H]1CCN(C)C1=O ZINC001484477340 892864605 /nfs/dbraw/zinc/86/46/05/892864605.db2.gz JPEYNBUGHAOVKM-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN O=C(c1ccc[nH]1)N(CCO)CCN[C@H]1CCNC1=O ZINC001484475542 892864812 /nfs/dbraw/zinc/86/48/12/892864812.db2.gz ZDJGDTWFWAOYAZ-JTQLQIEISA-N 0 3 280.328 -1.073 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)CC1CC1 ZINC001484473785 892864884 /nfs/dbraw/zinc/86/48/84/892864884.db2.gz JFCMTVHIGZGJLA-UHFFFAOYSA-N 0 3 257.334 -1.057 20 0 CAADHN Cc1ncc(C(=O)N(CCO)CCNCC(N)=O)s1 ZINC001484478644 892865264 /nfs/dbraw/zinc/86/52/64/892865264.db2.gz XBPXGTUELQCFFX-UHFFFAOYSA-N 0 3 286.357 -1.039 20 0 CAADHN Cn1nccc1C(=O)N(CCO)CCNCC(N)=O ZINC001484477862 892865346 /nfs/dbraw/zinc/86/53/46/892865346.db2.gz YGHPRFSAESKJPT-UHFFFAOYSA-N 0 3 269.305 -2.071 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ccc[nH]1)C(N)=O ZINC001484475250 892865425 /nfs/dbraw/zinc/86/54/25/892865425.db2.gz OLFGQLBTBVJPMG-VIFPVBQESA-N 0 3 268.317 -1.087 20 0 CAADHN O=C(Cn1cccn1)N(CCO)CCN[C@H]1CCNC1=O ZINC001484475368 892865464 /nfs/dbraw/zinc/86/54/64/892865464.db2.gz SLWCVABMGJUISO-NSHDSACASA-N 0 3 295.343 -1.818 20 0 CAADHN CC[C@@H](OC)C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001484478121 892865635 /nfs/dbraw/zinc/86/56/35/892865635.db2.gz GWAJTVQYFBSOJF-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1c(C)cnn1C ZINC001484490528 892866173 /nfs/dbraw/zinc/86/61/73/892866173.db2.gz AVEAQEWYFBBGCN-UHFFFAOYSA-N 0 3 297.359 -1.501 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1ncc[nH]1 ZINC001484482282 892866294 /nfs/dbraw/zinc/86/62/94/892866294.db2.gz JMPYIHYYECLEFI-SECBINFHSA-N 0 3 283.332 -1.432 20 0 CAADHN CN1C[C@@H](C(=O)N(CCO)CCNCC(N)=O)NC1=O ZINC001484490813 892866397 /nfs/dbraw/zinc/86/63/97/892866397.db2.gz IQCXURHEWOPDFL-QMMMGPOBSA-N 0 3 287.320 -3.094 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001484488915 892866520 /nfs/dbraw/zinc/86/65/20/892866520.db2.gz VRJLDPSZVJRPCS-OQEOFVATSA-N 0 3 297.355 -1.694 20 0 CAADHN Cn1cnn(CC(=O)N(CCO)CCNCCF)c1=O ZINC001484486723 892866555 /nfs/dbraw/zinc/86/65/55/892866555.db2.gz XWBRIDSQTSMDTE-UHFFFAOYSA-N 0 3 289.311 -2.038 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001484490575 892867212 /nfs/dbraw/zinc/86/72/12/892867212.db2.gz BOVOYEJGDBFZTC-JZYVYDRUSA-N 0 3 271.317 -2.225 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1ncc[nH]1 ZINC001484482916 892867480 /nfs/dbraw/zinc/86/74/80/892867480.db2.gz ZQQLBRBASSBYEC-UHFFFAOYSA-N 0 3 255.278 -2.081 20 0 CAADHN COC1CC(C(=O)N(CCO)CCN[C@H](C)C(N)=O)C1 ZINC001484485620 892867613 /nfs/dbraw/zinc/86/76/13/892867613.db2.gz PKVMFPCHIGZSPD-KPPDAEKUSA-N 0 3 287.360 -1.304 20 0 CAADHN COC1CC(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)C1 ZINC001484485621 892867636 /nfs/dbraw/zinc/86/76/36/892867636.db2.gz PKVMFPCHIGZSPD-WHXUTIOJSA-N 0 3 287.360 -1.304 20 0 CAADHN Cc1cn(C)nc1C(=O)N(CCO)CCNCC(N)=O ZINC001484482099 892867875 /nfs/dbraw/zinc/86/78/75/892867875.db2.gz GFPQOGAQSRXGDL-UHFFFAOYSA-N 0 3 283.332 -1.762 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@H](O)C(C)C ZINC001484481673 892867961 /nfs/dbraw/zinc/86/79/61/892867961.db2.gz VASSTMBPAGECDK-GHMZBOCLSA-N 0 3 289.376 -1.452 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCNCC(N)=O)c(C)nn1 ZINC001484484146 892868509 /nfs/dbraw/zinc/86/85/09/892868509.db2.gz OEOACRKIDFIGAU-UHFFFAOYSA-N 0 3 295.343 -1.397 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1CCNC1=O ZINC001484489965 892868707 /nfs/dbraw/zinc/86/87/07/892868707.db2.gz KHBILJGHMPUSCE-MRVPVSSYSA-N 0 3 272.305 -2.982 20 0 CAADHN Cc1n[nH]cc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001484490257 892868820 /nfs/dbraw/zinc/86/88/20/892868820.db2.gz VVNMQXVCFCCGAX-NSHDSACASA-N 0 3 295.343 -1.369 20 0 CAADHN Cc1n[nH]cc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001484490015 892868888 /nfs/dbraw/zinc/86/88/88/892868888.db2.gz MXKZTXOMIHVILT-SECBINFHSA-N 0 3 283.332 -1.384 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)c2cnco2)C1=O ZINC001484490155 892869442 /nfs/dbraw/zinc/86/94/42/892869442.db2.gz RLZUGZGMDLRISQ-SNVBAGLBSA-N 0 3 296.327 -1.071 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@]1(F)CCOC1)C(N)=O ZINC001484490563 892869907 /nfs/dbraw/zinc/86/99/07/892869907.db2.gz BJWUURPYRIKJHL-SKDRFNHKSA-N 0 3 291.323 -1.601 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@H]1CCNC1=O ZINC001484489966 892869937 /nfs/dbraw/zinc/86/99/37/892869937.db2.gz KHBILJGHMPUSCE-QMMMGPOBSA-N 0 3 272.305 -2.982 20 0 CAADHN CCn1ncc(C(=O)N(CCO)CCNCC(N)=O)c1C ZINC001484496860 892870993 /nfs/dbraw/zinc/87/09/93/892870993.db2.gz LUWSQEDLAQOTRU-UHFFFAOYSA-N 0 3 297.359 -1.279 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N(CCO)CCNCCF ZINC001484502766 892871763 /nfs/dbraw/zinc/87/17/63/892871763.db2.gz JLNYCMXAMXHRKM-SECBINFHSA-N 0 3 289.307 -1.581 20 0 CAADHN O=C(Cc1cnc[nH]1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484495518 892872202 /nfs/dbraw/zinc/87/22/02/892872202.db2.gz OOJCZZRAKXECIL-LLVKDONJSA-N 0 3 295.343 -1.749 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)Cn1nccc1C ZINC001484495338 892872718 /nfs/dbraw/zinc/87/27/18/892872718.db2.gz JSAYHGUGMOYLKJ-UHFFFAOYSA-N 0 3 297.359 -1.652 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cccnn1 ZINC001484496765 892872886 /nfs/dbraw/zinc/87/28/86/892872886.db2.gz IQPMTGVYVMHKJT-UHFFFAOYSA-N 0 3 281.316 -1.753 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1ncccn1 ZINC001484496520 892873503 /nfs/dbraw/zinc/87/35/03/892873503.db2.gz IIUKAUPVMMZEJB-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1ncccn1 ZINC001484496535 892873831 /nfs/dbraw/zinc/87/38/31/892873831.db2.gz IIUKAUPVMMZEJB-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001484493779 892874267 /nfs/dbraw/zinc/87/42/67/892874267.db2.gz XDIJPQSUYQMSFV-QMMMGPOBSA-N 0 3 286.332 -2.464 20 0 CAADHN CN1C[C@@H](C(=O)NCC2(NCC(N)=O)CCC2)NC1=O ZINC001484645247 892878043 /nfs/dbraw/zinc/87/80/43/892878043.db2.gz IVNJOJIXQMCGET-QMMMGPOBSA-N 0 3 283.332 -1.876 20 0 CAADHN CC(F)(F)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484665517 892878311 /nfs/dbraw/zinc/87/83/11/892878311.db2.gz KDIQOMKIVCTIEG-ZETCQYMHSA-N 0 3 265.260 -1.056 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CCOC)CCO1 ZINC001484665298 892878444 /nfs/dbraw/zinc/87/84/44/892878444.db2.gz DZOUKMSWZNCUND-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN COCC(=O)N1CCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001484668960 892878689 /nfs/dbraw/zinc/87/86/89/892878689.db2.gz YEUWGACHIIKWNI-QMMMGPOBSA-N 0 3 288.304 -2.355 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001484670748 892879084 /nfs/dbraw/zinc/87/90/84/892879084.db2.gz MBHNGCXVTJWMLA-UWVGGRQHSA-N 0 3 295.343 -1.025 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCC1(NCC(N)=O)CCC1 ZINC001484660482 892879159 /nfs/dbraw/zinc/87/91/59/892879159.db2.gz YCTNLHAPOAYJLC-SECBINFHSA-N 0 3 299.375 -1.063 20 0 CAADHN CN(CC(=O)NCC1(NCC(N)=O)CCC1)C(=O)C1CC1 ZINC001484637098 892879216 /nfs/dbraw/zinc/87/92/16/892879216.db2.gz QOCNOZUWKUVJTO-UHFFFAOYSA-N 0 3 296.371 -1.031 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001484613914 892879468 /nfs/dbraw/zinc/87/94/68/892879468.db2.gz PQNXBQSQKJVBSJ-LLVKDONJSA-N 0 3 284.360 -1.079 20 0 CAADHN Cn1nnc(C(=O)NCC2(NCC(N)=O)CCC2)n1 ZINC001484647112 892879539 /nfs/dbraw/zinc/87/95/39/892879539.db2.gz FKXHEXRKGCFOGJ-UHFFFAOYSA-N 0 3 267.293 -2.063 20 0 CAADHN C[C@H](NC[C@H]1CCCCN1C(=O)C(N)=O)C(N)=O ZINC001484617721 892879829 /nfs/dbraw/zinc/87/98/29/892879829.db2.gz LMCONBSGPGIJTC-JGVFFNPUSA-N 0 3 256.306 -1.684 20 0 CAADHN C[C@@]1(C(=O)NCC2(NCC(N)=O)CCC2)CCC(=O)N1 ZINC001484650378 892880104 /nfs/dbraw/zinc/88/01/04/892880104.db2.gz URRXCYOOHCIRFJ-LBPRGKRZSA-N 0 3 282.344 -1.231 20 0 CAADHN NC(=O)c1ncn(CC(=O)NCC2(NCCF)CCC2)n1 ZINC001484634490 892880187 /nfs/dbraw/zinc/88/01/87/892880187.db2.gz NGPDBMNEODBJMG-UHFFFAOYSA-N 0 3 298.322 -1.025 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)Cn2ncnn2)CCC1 ZINC001484634788 892880947 /nfs/dbraw/zinc/88/09/47/892880947.db2.gz VZELQSUBUHXFKU-UHFFFAOYSA-N 0 3 295.347 -1.562 20 0 CAADHN CC(=O)N1CCO[C@@H](CNCCNS(C)(=O)=O)C1 ZINC001484665508 892881320 /nfs/dbraw/zinc/88/13/20/892881320.db2.gz KAWQSOXFTRQFTG-JTQLQIEISA-N 0 3 279.362 -1.628 20 0 CAADHN C[C@@H](NC[C@H]1CCCCN1C(=O)C(N)=O)C(N)=O ZINC001484617718 892881726 /nfs/dbraw/zinc/88/17/26/892881726.db2.gz LMCONBSGPGIJTC-HTQZYQBOSA-N 0 3 256.306 -1.684 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ccc[nH]2)CCO1 ZINC001484666679 892881880 /nfs/dbraw/zinc/88/18/80/892881880.db2.gz GOCPKTQBCMRPHT-SECBINFHSA-N 0 3 266.301 -1.069 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)CCOC)CCO1 ZINC001484665300 892881910 /nfs/dbraw/zinc/88/19/10/892881910.db2.gz DZOUKMSWZNCUND-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CN(C)C(=O)N2)CCC1 ZINC001484645635 892882026 /nfs/dbraw/zinc/88/20/26/892882026.db2.gz RZGGFOIEUGSOFN-SECBINFHSA-N 0 3 297.359 -1.616 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001484675524 892882552 /nfs/dbraw/zinc/88/25/52/892882552.db2.gz XUFFJMYTJDKNNL-JTQLQIEISA-N 0 3 285.344 -1.406 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2ncc[nH]2)CCO1)C(N)=O ZINC001484674614 892882619 /nfs/dbraw/zinc/88/26/19/892882619.db2.gz RDQZESYKECNPAQ-BDAKNGLRSA-N 0 3 281.316 -1.286 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)CCO1 ZINC001484682364 892882802 /nfs/dbraw/zinc/88/28/02/892882802.db2.gz MQVWZYYPQLLABT-NXEZZACHSA-N 0 3 298.343 -2.185 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@H](CNCCF)C1 ZINC001484688387 892882865 /nfs/dbraw/zinc/88/28/65/892882865.db2.gz VYVUGDQNBLDMCY-RKDXNWHRSA-N 0 3 274.296 -1.546 20 0 CAADHN Cn1ccc(CC(=O)N2CCO[C@H](CNCC(N)=O)C2)n1 ZINC001484676452 892882977 /nfs/dbraw/zinc/88/29/77/892882977.db2.gz ABZACSXLHFVFTH-LLVKDONJSA-N 0 3 295.343 -1.735 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1)C(N)=O ZINC001484674698 892883190 /nfs/dbraw/zinc/88/31/90/892883190.db2.gz RDQZESYKECNPAQ-RKDXNWHRSA-N 0 3 281.316 -1.286 20 0 CAADHN COC[C@@H](C)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484671207 892883230 /nfs/dbraw/zinc/88/32/30/892883230.db2.gz MSPFYTFOLYQILK-ZJUUUORDSA-N 0 3 273.333 -1.429 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001484675752 892883274 /nfs/dbraw/zinc/88/32/74/892883274.db2.gz JEPJGTAJOSKYLX-SSDOTTSWSA-N 0 3 258.278 -2.836 20 0 CAADHN C/C=C(\C)C(=O)N1CCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001484676545 892884111 /nfs/dbraw/zinc/88/41/11/892884111.db2.gz YEYVPQMGQJQDRB-OTVCUZDGSA-N 0 3 298.343 -1.036 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cnco2)CCO1 ZINC001484684347 892884243 /nfs/dbraw/zinc/88/42/43/892884243.db2.gz OJKRQVBZUGOOJZ-VIFPVBQESA-N 0 3 282.300 -1.149 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001484674884 892884368 /nfs/dbraw/zinc/88/43/68/892884368.db2.gz SXPUIPGZFSDDOJ-SECBINFHSA-N 0 3 281.316 -1.414 20 0 CAADHN Cn1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)[nH]c1=O ZINC001484688270 892884778 /nfs/dbraw/zinc/88/47/78/892884778.db2.gz ULPAMDBBLKHJFV-MRVPVSSYSA-N 0 3 297.315 -1.958 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cocn2)CCO1)C(N)=O ZINC001484671556 892884860 /nfs/dbraw/zinc/88/48/60/892884860.db2.gz PRLWNXJPYPOZCE-DTWKUNHWSA-N 0 3 282.300 -1.021 20 0 CAADHN COC[C@H](C)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484671206 892885064 /nfs/dbraw/zinc/88/50/64/892885064.db2.gz MSPFYTFOLYQILK-VHSXEESVSA-N 0 3 273.333 -1.429 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1)C(N)=O ZINC001484674617 892885323 /nfs/dbraw/zinc/88/53/23/892885323.db2.gz RDQZESYKECNPAQ-DTWKUNHWSA-N 0 3 281.316 -1.286 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484688388 892885379 /nfs/dbraw/zinc/88/53/79/892885379.db2.gz JRNOUDTVZQRUSC-AEJSXWLSSA-N 0 3 255.318 -1.055 20 0 CAADHN C/C=C(/C)C(=O)N1CCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001484676544 892885537 /nfs/dbraw/zinc/88/55/37/892885537.db2.gz YEYVPQMGQJQDRB-KSXVILFYSA-N 0 3 298.343 -1.036 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cocn2)CCO1)C(N)=O ZINC001484671559 892886185 /nfs/dbraw/zinc/88/61/85/892886185.db2.gz PRLWNXJPYPOZCE-RKDXNWHRSA-N 0 3 282.300 -1.021 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001484696307 892890688 /nfs/dbraw/zinc/89/06/88/892890688.db2.gz PRBYYTMHBVYIEY-VIFPVBQESA-N 0 3 296.331 -1.629 20 0 CAADHN C[C@]1(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CCOC1 ZINC001484695652 892891341 /nfs/dbraw/zinc/89/13/41/892891341.db2.gz MVDUTYVLXAPCIV-GWCFXTLKSA-N 0 3 285.344 -1.285 20 0 CAADHN COCCC(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001484854457 892892948 /nfs/dbraw/zinc/89/29/48/892892948.db2.gz FPZFJWZEKKZFCL-UHFFFAOYSA-N 0 3 273.333 -1.237 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1COC2(CN(CC(N)=O)C2)C1)N(C)C ZINC001484802234 892894251 /nfs/dbraw/zinc/89/42/51/892894251.db2.gz WFTQQJPLRXEPIY-QWRGUYRKSA-N 0 3 298.387 -1.229 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001484877524 892896472 /nfs/dbraw/zinc/89/64/72/892896472.db2.gz DXXZCEHYXMRPGR-WCBMZHEXSA-N 0 3 270.333 -1.695 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)C(F)F)CC1 ZINC001484945803 892896532 /nfs/dbraw/zinc/89/65/32/892896532.db2.gz LDIOEQVCSHTXRR-UHFFFAOYSA-N 0 3 279.287 -1.059 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)NC1CC1 ZINC001484897220 892896572 /nfs/dbraw/zinc/89/65/72/892896572.db2.gz IQSMLPBILOKBKH-APPZFPTMSA-N 0 3 268.317 -1.813 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1C ZINC001484906614 892896788 /nfs/dbraw/zinc/89/67/88/892896788.db2.gz MXMXWBKAQAWLFD-WDEREUQCSA-N 0 3 294.359 -1.149 20 0 CAADHN CCNC(=O)CNCC1(NC(=O)C(N)=O)CCOCC1 ZINC001484867714 892897164 /nfs/dbraw/zinc/89/71/64/892897164.db2.gz OEBUIUGXFZGUEO-UHFFFAOYSA-N 0 3 286.332 -2.137 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1C ZINC001484879409 892897251 /nfs/dbraw/zinc/89/72/51/892897251.db2.gz LGULRGOZLBJNJN-IUCAKERBSA-N 0 3 286.332 -1.475 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CNC(=O)OC)C[C@H]1C ZINC001484879407 892897744 /nfs/dbraw/zinc/89/77/44/892897744.db2.gz LGULRGOZLBJNJN-BDAKNGLRSA-N 0 3 286.332 -1.475 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)N(C)CC1CC1 ZINC001484897038 892898025 /nfs/dbraw/zinc/89/80/25/892898025.db2.gz GAKUEIKUIVVNGT-ONGXEEELSA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001484877525 892898609 /nfs/dbraw/zinc/89/86/09/892898609.db2.gz DXXZCEHYXMRPGR-WPRPVWTQSA-N 0 3 270.333 -1.695 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC001484950109 892898763 /nfs/dbraw/zinc/89/87/63/892898763.db2.gz SIKIWIAEIZMSJJ-SECBINFHSA-N 0 3 298.343 -2.307 20 0 CAADHN CS(=O)(=O)CC(=O)N1CCC(O)(CNCCF)CC1 ZINC001484950863 892898902 /nfs/dbraw/zinc/89/89/02/892898902.db2.gz RCMVLAFBZKCGAK-UHFFFAOYSA-N 0 3 296.364 -1.056 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)CC(N)=O)CC1 ZINC001484951812 892899469 /nfs/dbraw/zinc/89/94/69/892899469.db2.gz ULAHYAVGFJAUBN-UHFFFAOYSA-N 0 3 272.305 -2.710 20 0 CAADHN CO[C@H](C)C(=O)N1CCC(O)(CN[C@@H](C)C(N)=O)CC1 ZINC001484950384 892899516 /nfs/dbraw/zinc/89/95/16/892899516.db2.gz DTRLZMBJJKFQQF-VHSXEESVSA-N 0 3 287.360 -1.162 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@H]1CCNC(=O)C1 ZINC001485017618 892901129 /nfs/dbraw/zinc/90/11/29/892901129.db2.gz YGHAYLXZPQRSMU-NSHDSACASA-N 0 3 299.371 -1.552 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2ccnnc2)CC1 ZINC001484960171 892902033 /nfs/dbraw/zinc/90/20/33/892902033.db2.gz UAFBDHHPVYGAIU-UHFFFAOYSA-N 0 3 293.327 -1.481 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CCCCN1C(=O)C(N)=O ZINC001485039113 892902404 /nfs/dbraw/zinc/90/24/04/892902404.db2.gz CECRBXRGJDQXNG-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN NC(=O)C(=O)NC1(CO)CCN(CCOCCO)CC1 ZINC001485024324 892902614 /nfs/dbraw/zinc/90/26/14/892902614.db2.gz MXBMKRLJCKDUIF-UHFFFAOYSA-N 0 3 289.332 -2.576 20 0 CAADHN Cc1nn[nH]c1C(=O)NC1(CO)CCN(CCO)CC1 ZINC001485021537 892903038 /nfs/dbraw/zinc/90/30/38/892903038.db2.gz CNVMEYKEBLCVIR-UHFFFAOYSA-N 0 3 283.332 -1.338 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)c2ncn(C)n2)CC1 ZINC001485017424 892903498 /nfs/dbraw/zinc/90/34/98/892903498.db2.gz FOBLSZXYGNTWAN-SNVBAGLBSA-N 0 3 297.359 -1.247 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)Cc2nnc[n-]2)C1 ZINC001485107454 892905068 /nfs/dbraw/zinc/90/50/68/892905068.db2.gz SHHZVFDAMGUBRY-IDKOKCKLSA-N 0 3 294.359 -1.034 20 0 CAADHN CN(CCO)C[C@@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001485068070 892906289 /nfs/dbraw/zinc/90/62/89/892906289.db2.gz ZPVLFAFSMLPCBM-UWVGGRQHSA-N 0 3 270.333 -1.417 20 0 CAADHN CN(CCO)C[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001485068071 892906308 /nfs/dbraw/zinc/90/63/08/892906308.db2.gz ZPVLFAFSMLPCBM-VHSXEESVSA-N 0 3 270.333 -1.417 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@H](C)NC(=O)CCOC ZINC001485112680 892906816 /nfs/dbraw/zinc/90/68/16/892906816.db2.gz RRHSMXXFIJMCMH-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](NC(=O)Cn1cccn1)[C@H](C)NCC(=O)NC(N)=O ZINC001485120007 892907421 /nfs/dbraw/zinc/90/74/21/892907421.db2.gz GAOZNHZZAKXSCI-DTWKUNHWSA-N 0 3 296.331 -1.439 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCOC ZINC001485112683 892907921 /nfs/dbraw/zinc/90/79/21/892907921.db2.gz RRHSMXXFIJMCMH-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](NC(=O)COCc1nccn1C)[C@H](C)NCC(N)=O ZINC001485159244 892908906 /nfs/dbraw/zinc/90/89/06/892908906.db2.gz GIDPKXMMCGBDRW-VHSXEESVSA-N 0 3 297.359 -1.095 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001485146209 892908931 /nfs/dbraw/zinc/90/89/31/892908931.db2.gz GLTNSRDQGYVDRX-SFYZADRCSA-N 0 3 269.309 -2.098 20 0 CAADHN C[C@@H](NC(=O)c1cnc[n-]c1=O)[C@H](C)[NH2+]CC(N)=O ZINC001485162827 892908979 /nfs/dbraw/zinc/90/89/79/892908979.db2.gz LQYNFNKICAWHIV-NKWVEPMBSA-N 0 3 267.289 -1.236 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001485179977 892909348 /nfs/dbraw/zinc/90/93/48/892909348.db2.gz ABNKOYZYXBZZLL-YUMQZZPRSA-N 0 3 283.336 -1.557 20 0 CAADHN C[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)[C@H](C)NCC(N)=O ZINC001485167107 892909673 /nfs/dbraw/zinc/90/96/73/892909673.db2.gz BQDDYMJGYBLLHT-JGVFFNPUSA-N 0 3 297.315 -2.083 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001485166451 892909789 /nfs/dbraw/zinc/90/97/89/892909789.db2.gz PJKPDGKDWXPVIU-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001485179975 892909917 /nfs/dbraw/zinc/90/99/17/892909917.db2.gz ABNKOYZYXBZZLL-JGVFFNPUSA-N 0 3 283.336 -1.557 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)CC(N)=O ZINC001485131609 892909949 /nfs/dbraw/zinc/90/99/49/892909949.db2.gz HASFUQDRDOQWOD-YUMQZZPRSA-N 0 3 258.322 -1.567 20 0 CAADHN C[C@@H](NCCF)[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001485147747 892910215 /nfs/dbraw/zinc/91/02/15/892910215.db2.gz QKXXBSWOSPSFPI-HTQZYQBOSA-N 0 3 286.311 -1.171 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)CC(N)=O ZINC001485131606 892910336 /nfs/dbraw/zinc/91/03/36/892910336.db2.gz HASFUQDRDOQWOD-HTQZYQBOSA-N 0 3 258.322 -1.567 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)COCc1nccn1C ZINC001485159243 892911213 /nfs/dbraw/zinc/91/12/13/892911213.db2.gz GIDPKXMMCGBDRW-UWVGGRQHSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)[C@H](C)NCC(=O)NCC(F)(F)F ZINC001485188578 892911374 /nfs/dbraw/zinc/91/13/74/892911374.db2.gz MOTPWJRRVYNWSZ-NTSWFWBYSA-N 0 3 298.265 -1.367 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001485189277 892911540 /nfs/dbraw/zinc/91/15/40/892911540.db2.gz GWTPIDMAVZVQHQ-UWVGGRQHSA-N 0 3 296.375 -1.024 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001485145533 892911578 /nfs/dbraw/zinc/91/15/78/892911578.db2.gz HSXFPDJMZUUAAE-JGVFFNPUSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001485224176 892914028 /nfs/dbraw/zinc/91/40/28/892914028.db2.gz HGVNJYCNNBZJRY-RNFRBKRXSA-N 0 3 285.304 -2.494 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001485191168 892914483 /nfs/dbraw/zinc/91/44/83/892914483.db2.gz QZFWPZJAOHVODK-RKDXNWHRSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N(C)CCn1cncn1 ZINC001485272604 892915388 /nfs/dbraw/zinc/91/53/88/892915388.db2.gz VAXKTRBYNBGYIU-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN Cc1nc(CC(=O)NC[C@H](C)N(C)[C@@H](C)C(N)=O)n[nH]1 ZINC001485304300 892916838 /nfs/dbraw/zinc/91/68/38/892916838.db2.gz OYXLDNLOCFVAQA-YUMQZZPRSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)CCn1cncn1 ZINC001485303494 892918462 /nfs/dbraw/zinc/91/84/62/892918462.db2.gz WULLKTPUGTWGSS-UWVGGRQHSA-N 0 3 296.331 -1.177 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCNC1=O)N(C)CCn1cncn1 ZINC001485338799 892919096 /nfs/dbraw/zinc/91/90/96/892919096.db2.gz QTPLCNSSVQLBSU-GHMZBOCLSA-N 0 3 294.359 -1.149 20 0 CAADHN Cc1nc(CC(=O)NC[C@H](C)N(C)[C@H](C)C(N)=O)n[nH]1 ZINC001485304298 892919343 /nfs/dbraw/zinc/91/93/43/892919343.db2.gz OYXLDNLOCFVAQA-JGVFFNPUSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCNC1=O)N(C)CCn1cncn1 ZINC001485338802 892919387 /nfs/dbraw/zinc/91/93/87/892919387.db2.gz QTPLCNSSVQLBSU-WDEREUQCSA-N 0 3 294.359 -1.149 20 0 CAADHN C[C@H](CNC(=O)CN1CCCNC1=O)N(C)CCO ZINC001485324730 892919994 /nfs/dbraw/zinc/91/99/94/892919994.db2.gz LIGILJQCEPRYQN-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CNC(C)=O ZINC001485842357 892947337 /nfs/dbraw/zinc/94/73/37/892947337.db2.gz LXBZZVYYPCHDIT-QMMMGPOBSA-N 0 3 258.322 -1.695 20 0 CAADHN CC[C@@H](N[C@H](C)CN(C)C(=O)CC(N)=O)C(N)=O ZINC001485858351 892947356 /nfs/dbraw/zinc/94/73/56/892947356.db2.gz NQSTYLINQHXNFF-HTQZYQBOSA-N 0 3 258.322 -1.438 20 0 CAADHN COCCN(C)[C@H](C)CNC(=O)c1cn(CC(N)=O)nn1 ZINC001485387472 892922810 /nfs/dbraw/zinc/92/28/10/892922810.db2.gz GZQPCVHYGANLKV-SECBINFHSA-N 0 3 298.347 -1.540 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1COCCO1 ZINC001485977830 892963243 /nfs/dbraw/zinc/96/32/43/892963243.db2.gz WIDIGRITQBJPPJ-NXEZZACHSA-N 0 3 262.306 -1.885 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)CCOCCO ZINC001485343610 892923547 /nfs/dbraw/zinc/92/35/47/892923547.db2.gz IALCPVWWKZVMKH-SNVBAGLBSA-N 0 3 298.343 -1.171 20 0 CAADHN COCCN(C)[C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001485379720 892924057 /nfs/dbraw/zinc/92/40/57/892924057.db2.gz QUFDCUIBXAUSKL-SNVBAGLBSA-N 0 3 299.375 -1.027 20 0 CAADHN CCCC[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1nnn(C)n1 ZINC001485467639 892931050 /nfs/dbraw/zinc/93/10/50/892931050.db2.gz FFDVTUUZRRFSEV-IUCAKERBSA-N 0 3 297.363 -1.038 20 0 CAADHN CCCC[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1nnn(C)n1 ZINC001485467638 892932513 /nfs/dbraw/zinc/93/25/13/892932513.db2.gz FFDVTUUZRRFSEV-DTWKUNHWSA-N 0 3 297.363 -1.038 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)C1CN(CCOC)C1 ZINC001485537284 892935584 /nfs/dbraw/zinc/93/55/84/892935584.db2.gz IXWHYEFYTHSLTR-SECBINFHSA-N 0 3 293.389 -1.382 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)CCOC)CCO1 ZINC001485630817 892938038 /nfs/dbraw/zinc/93/80/38/892938038.db2.gz LWACYXHOYSDPOC-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CNC(=O)CC(N)=O)[C@@H]2C1 ZINC001485593837 892938520 /nfs/dbraw/zinc/93/85/20/892938520.db2.gz WPWLKIMLGOEQTJ-AATLWQCWSA-N 0 3 282.344 -1.710 20 0 CAADHN CC(=O)N1CCO[C@H]([C@@H](C)NCC(=O)NC(N)=O)C1 ZINC001485630512 892939000 /nfs/dbraw/zinc/93/90/00/892939000.db2.gz IDDAJRCLVFWUER-APPZFPTMSA-N 0 3 272.305 -1.593 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001485631070 892939423 /nfs/dbraw/zinc/93/94/23/892939423.db2.gz PIBUAHDIHLPBIM-IUCAKERBSA-N 0 3 297.319 -2.636 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001485644705 892939506 /nfs/dbraw/zinc/93/95/06/892939506.db2.gz BRCJMECTSFMONG-WCBMZHEXSA-N 0 3 297.315 -1.365 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001485626075 892939698 /nfs/dbraw/zinc/93/96/98/892939698.db2.gz FCSJJOFWLANYAL-CNDDSTCGSA-N 0 3 291.355 -1.029 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@@H](C)NCC(N)=O)C1 ZINC001485631200 892940116 /nfs/dbraw/zinc/94/01/16/892940116.db2.gz QPTRJRGCUSYNTC-PSASIEDQSA-N 0 3 286.332 -2.187 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@@H]2[C@@H](CNC(=O)CC(N)=O)[C@@H]2C1 ZINC001485593841 892940204 /nfs/dbraw/zinc/94/02/04/892940204.db2.gz WPWLKIMLGOEQTJ-KYXWUPHJSA-N 0 3 282.344 -1.710 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001485766831 892941799 /nfs/dbraw/zinc/94/17/99/892941799.db2.gz LRWYEQCNVYHFAO-VIFPVBQESA-N 0 3 299.375 -1.159 20 0 CAADHN C[C@@H](C(=O)NC(N)=O)N(C)C1CCN(C(=O)C(N)=O)CC1 ZINC001485762582 892942718 /nfs/dbraw/zinc/94/27/18/892942718.db2.gz COBDCQCVZXREES-ZETCQYMHSA-N 0 3 299.331 -2.022 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001485702484 892943384 /nfs/dbraw/zinc/94/33/84/892943384.db2.gz UMPJOIGALUGICV-ZKCHVHJHSA-N 0 3 266.305 -1.683 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001485841923 892946525 /nfs/dbraw/zinc/94/65/25/892946525.db2.gz CLAZHKJBCWEWCA-SFYZADRCSA-N 0 3 258.322 -1.567 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1COCCO1 ZINC001485846894 892946957 /nfs/dbraw/zinc/94/69/57/892946957.db2.gz GOMNGDUBWLVAKA-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cnnn1)N[C@H]1CCN(C)C1=O ZINC001485844983 892946986 /nfs/dbraw/zinc/94/69/86/892946986.db2.gz PVBJPTFFJCNLEA-UWVGGRQHSA-N 0 3 295.347 -1.660 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001485841924 892947059 /nfs/dbraw/zinc/94/70/59/892947059.db2.gz CLAZHKJBCWEWCA-YUMQZZPRSA-N 0 3 258.322 -1.567 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)Cn1cnnn1)C(=O)N(C)C ZINC001485844709 892947254 /nfs/dbraw/zinc/94/72/54/892947254.db2.gz MPRQJRJRCDGJFD-VHSXEESVSA-N 0 3 297.363 -1.414 20 0 CAADHN CNC(=O)CCCC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001485866226 892947398 /nfs/dbraw/zinc/94/73/98/892947398.db2.gz QXOVOHBYXVNFNT-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@H](C)N[C@H]1CCNC1=O ZINC001485847934 892947455 /nfs/dbraw/zinc/94/74/55/892947455.db2.gz NAXZOEHBEWMMNL-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001485845495 892947609 /nfs/dbraw/zinc/94/76/09/892947609.db2.gz YDQRFUPRIMKNGG-QMMMGPOBSA-N 0 3 269.309 -2.144 20 0 CAADHN CC[C@H](N[C@H](C)CN(C)C(=O)CC(N)=O)C(N)=O ZINC001485858354 892947643 /nfs/dbraw/zinc/94/76/43/892947643.db2.gz NQSTYLINQHXNFF-SFYZADRCSA-N 0 3 258.322 -1.438 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cnnn1)N[C@H]1CCN(C)C1=O ZINC001485844985 892947705 /nfs/dbraw/zinc/94/77/05/892947705.db2.gz PVBJPTFFJCNLEA-ZJUUUORDSA-N 0 3 295.347 -1.660 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CNC(=O)C1CC1 ZINC001485850025 892947738 /nfs/dbraw/zinc/94/77/38/892947738.db2.gz YAKJYSGZIDWQSS-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN COCC(=O)N(C)C[C@H](C)NCCN(C)S(C)(=O)=O ZINC001485838769 892947934 /nfs/dbraw/zinc/94/79/34/892947934.db2.gz UDJYYNPVXYAYJC-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)NCC(N)=O ZINC001485867028 892947997 /nfs/dbraw/zinc/94/79/97/892947997.db2.gz TUDSGCIBVWIQMG-RQJHMYQMSA-N 0 3 259.310 -2.035 20 0 CAADHN CC[C@@H](N[C@@H](C)CN(C)C(=O)CC(N)=O)C(N)=O ZINC001485858352 892948476 /nfs/dbraw/zinc/94/84/76/892948476.db2.gz NQSTYLINQHXNFF-JGVFFNPUSA-N 0 3 258.322 -1.438 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)N[C@H]1CCNC1=O ZINC001485847932 892948506 /nfs/dbraw/zinc/94/85/06/892948506.db2.gz NAXZOEHBEWMMNL-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN Cc1cnc(CNCCCOCCNC(=O)C(N)=O)cn1 ZINC001485794017 892948820 /nfs/dbraw/zinc/94/88/20/892948820.db2.gz HDLUKOCMTCCTSU-UHFFFAOYSA-N 0 3 295.343 -1.117 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CNC(=O)C1CC1 ZINC001485850026 892948875 /nfs/dbraw/zinc/94/88/75/892948875.db2.gz YAKJYSGZIDWQSS-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)NCC(=O)N1CCC1 ZINC001485869831 892949163 /nfs/dbraw/zinc/94/91/63/892949163.db2.gz DGTQUXCGFUZBOC-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(C)C[C@H](C)NCCF ZINC001485890605 892950515 /nfs/dbraw/zinc/95/05/15/892950515.db2.gz LOJAAWHBVRAAFY-VIFPVBQESA-N 0 3 290.339 -1.355 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nnn(C)n1)NCC(=O)N(C)C ZINC001485910656 892951354 /nfs/dbraw/zinc/95/13/54/892951354.db2.gz JBJCKCKGBFHKRI-QMMMGPOBSA-N 0 3 283.336 -1.652 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(N)=O)C1)NCC(N)=O ZINC001485900865 892952105 /nfs/dbraw/zinc/95/21/05/892952105.db2.gz ONJUPFXGUMVWRQ-UWVGGRQHSA-N 0 3 299.375 -1.301 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@]12C[C@H]1COC2)NCC(=O)NC(N)=O ZINC001485877589 892952130 /nfs/dbraw/zinc/95/21/30/892952130.db2.gz NDKUGTQNRNSKSO-RVBZMBCESA-N 0 3 298.343 -1.346 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001485885182 892952719 /nfs/dbraw/zinc/95/27/19/892952719.db2.gz GLBGTFFUSCZZHA-YUMQZZPRSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCC(N)=O ZINC001485903298 892952866 /nfs/dbraw/zinc/95/28/66/892952866.db2.gz NJFYNGCPJVGYRX-MRBYEJRBSA-N 0 3 299.371 -1.040 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)NCC(N)=O ZINC001485887653 892952944 /nfs/dbraw/zinc/95/29/44/892952944.db2.gz DXQJOBIEFLPXRI-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001485885181 892953061 /nfs/dbraw/zinc/95/30/61/892953061.db2.gz GLBGTFFUSCZZHA-SFYZADRCSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@H](CN(C)C(=O)c1cncn1C)NCC(=O)NC(N)=O ZINC001485897279 892953306 /nfs/dbraw/zinc/95/33/06/892953306.db2.gz QJYVKSWFEFUBKH-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cncn1C)NCC(=O)NC(N)=O ZINC001485897280 892953344 /nfs/dbraw/zinc/95/33/44/892953344.db2.gz QJYVKSWFEFUBKH-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C1(C(=O)NC)CC1 ZINC001485933273 892954930 /nfs/dbraw/zinc/95/49/30/892954930.db2.gz ACMONEFMJVFUDR-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CN(C)C(=O)CCN1CCOCC1)NCC(N)=O ZINC001485933312 892955582 /nfs/dbraw/zinc/95/55/82/892955582.db2.gz AYAABMPRVHVBOF-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN CC[C@H](N[C@H](C)CN(C)C(=O)Cn1cncn1)C(N)=O ZINC001485952540 892955787 /nfs/dbraw/zinc/95/57/87/892955787.db2.gz CXSCGLBWAXLFSE-ZJUUUORDSA-N 0 3 282.348 -1.022 20 0 CAADHN CCC(=O)NC[C@@H](CO)NCCCS(C)(=O)=O ZINC001485964819 892955811 /nfs/dbraw/zinc/95/58/11/892955811.db2.gz HWYONNZPFTXPAX-VIFPVBQESA-N 0 3 266.363 -1.102 20 0 CAADHN O=C(NC[C@H](CO)NCCN1C(=O)CCC1=O)C1CC1 ZINC001485966822 892956709 /nfs/dbraw/zinc/95/67/09/892956709.db2.gz BRGSHBOKMYDFIJ-SNVBAGLBSA-N 0 3 283.328 -1.388 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cnccn1 ZINC001485969111 892958671 /nfs/dbraw/zinc/95/86/71/892958671.db2.gz KQIRINVSENLITE-VIFPVBQESA-N 0 3 254.290 -1.197 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1ccc[nH]1 ZINC001485973640 892959887 /nfs/dbraw/zinc/95/98/87/892959887.db2.gz QELAMFSLMDWPFA-SNVBAGLBSA-N 0 3 278.316 -1.013 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1ccc[nH]1 ZINC001485973639 892960574 /nfs/dbraw/zinc/96/05/74/892960574.db2.gz QELAMFSLMDWPFA-JTQLQIEISA-N 0 3 278.316 -1.013 20 0 CAADHN CN1CCC[C@H]1C(=O)NC[C@H](CO)NCC(=O)N1CCC1 ZINC001485979174 892964937 /nfs/dbraw/zinc/96/49/37/892964937.db2.gz HZNDSMFNSRRAOD-NEPJUHHUSA-N 0 3 298.387 -1.620 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@H]1COCCO1 ZINC001485976530 892965062 /nfs/dbraw/zinc/96/50/62/892965062.db2.gz LWNMBPMTXRWHBX-GHMZBOCLSA-N 0 3 299.331 -2.240 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001485979680 892970103 /nfs/dbraw/zinc/97/01/03/892970103.db2.gz MVAZCWKRJIBZMG-DTWKUNHWSA-N 0 3 259.306 -2.022 20 0 CAADHN O=C(Cc1ccon1)NC[C@H](CO)NCCn1cncn1 ZINC001485983430 892971563 /nfs/dbraw/zinc/97/15/63/892971563.db2.gz UHWYAQUPJAPPLB-LLVKDONJSA-N 0 3 294.315 -1.425 20 0 CAADHN O=C(Cc1ccon1)NC[C@@H](CO)NCCn1cncn1 ZINC001485983431 892974040 /nfs/dbraw/zinc/97/40/40/892974040.db2.gz UHWYAQUPJAPPLB-NSHDSACASA-N 0 3 294.315 -1.425 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001486001578 892980039 /nfs/dbraw/zinc/98/00/39/892980039.db2.gz JISYBLJNFVLMNG-JTQLQIEISA-N 0 3 286.376 -1.717 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1ncc(OC)cn1 ZINC001486015379 892983159 /nfs/dbraw/zinc/98/31/59/892983159.db2.gz UWOVEULYQZKJTR-SECBINFHSA-N 0 3 284.316 -1.188 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1ccnc(OC)n1 ZINC001486015536 892983975 /nfs/dbraw/zinc/98/39/75/892983975.db2.gz WWESYTLZZRCGOG-SECBINFHSA-N 0 3 284.316 -1.188 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001486020821 892985722 /nfs/dbraw/zinc/98/57/22/892985722.db2.gz HXJCFMRZKOBTMW-JTQLQIEISA-N 0 3 293.331 -1.310 20 0 CAADHN Cc1nc(CCN[C@@H](CO)CNC(=O)C(N)=O)cs1 ZINC001486030810 892989212 /nfs/dbraw/zinc/98/92/12/892989212.db2.gz MQJRYQKHQXAAPB-SECBINFHSA-N 0 3 286.357 -1.454 20 0 CAADHN Cc1nc(CCN[C@H](CO)CNC(=O)C(N)=O)cs1 ZINC001486030815 892989343 /nfs/dbraw/zinc/98/93/43/892989343.db2.gz MQJRYQKHQXAAPB-VIFPVBQESA-N 0 3 286.357 -1.454 20 0 CAADHN NC(=O)C(=O)NC[C@@H](CO)NC[C@@H](O)C1CCCCC1 ZINC001486029678 892991975 /nfs/dbraw/zinc/99/19/75/892991975.db2.gz BLDUSKPGZRDNPW-WDEREUQCSA-N 0 3 287.360 -1.520 20 0 CAADHN CCn1cc(CCN[C@@H](CO)CNC(=O)C(N)=O)cn1 ZINC001486031984 892993083 /nfs/dbraw/zinc/99/30/83/892993083.db2.gz YEMNUVBTUPEVSZ-SNVBAGLBSA-N 0 3 283.332 -2.003 20 0 CAADHN NC(=O)C(=O)NC[C@H](CO)NCCOC[C@H]1CCCO1 ZINC001486031791 892993619 /nfs/dbraw/zinc/99/36/19/892993619.db2.gz WDFIHMLIXSDNHA-NXEZZACHSA-N 0 3 289.332 -2.266 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1n[nH]cc1F ZINC001486032036 892993949 /nfs/dbraw/zinc/99/39/49/892993949.db2.gz MLBCAHVFTMSKNA-MRVPVSSYSA-N 0 3 297.294 -1.479 20 0 CAADHN NC(=O)C(=O)NC[C@H](CO)NCCOC[C@@H]1CCCO1 ZINC001486031794 892994783 /nfs/dbraw/zinc/99/47/83/892994783.db2.gz WDFIHMLIXSDNHA-ZJUUUORDSA-N 0 3 289.332 -2.266 20 0 CAADHN CCn1cc(CCN[C@H](CO)CNC(=O)C(N)=O)cn1 ZINC001486031983 892994894 /nfs/dbraw/zinc/99/48/94/892994894.db2.gz YEMNUVBTUPEVSZ-JTQLQIEISA-N 0 3 283.332 -2.003 20 0 CAADHN NC(=O)C(=O)NC[C@@H](CO)NCCOC[C@H]1CCCO1 ZINC001486031793 892995268 /nfs/dbraw/zinc/99/52/68/892995268.db2.gz WDFIHMLIXSDNHA-VHSXEESVSA-N 0 3 289.332 -2.266 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001486043914 892998286 /nfs/dbraw/zinc/99/82/86/892998286.db2.gz KDJPLEMFQDCTAJ-NXEZZACHSA-N 0 3 273.333 -1.632 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001486043916 892998430 /nfs/dbraw/zinc/99/84/30/892998430.db2.gz KDJPLEMFQDCTAJ-UWVGGRQHSA-N 0 3 273.333 -1.632 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cccn(C)c1=O ZINC001486053318 893002699 /nfs/dbraw/zinc/00/26/99/893002699.db2.gz YPPKWKOCPHBLFT-SNVBAGLBSA-N 0 3 283.328 -1.288 20 0 CAADHN COCCN[C@H](CO)CNC(=O)Cn1cncn1 ZINC001486059008 893003624 /nfs/dbraw/zinc/00/36/24/893003624.db2.gz MCVKJEUIUCYAJE-VIFPVBQESA-N 0 3 257.294 -2.009 20 0 CAADHN COCCN[C@H](CO)CNC(=O)Cn1ccccc1=O ZINC001486058852 893004177 /nfs/dbraw/zinc/00/41/77/893004177.db2.gz CQSJDQDYDJADFZ-NSHDSACASA-N 0 3 283.328 -1.439 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)CNC(=O)C(C)(C)C ZINC001486060902 893009634 /nfs/dbraw/zinc/00/96/34/893009634.db2.gz CZQSQZJZMSNDAX-SNVBAGLBSA-N 0 3 289.376 -1.138 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CN(C)C(=O)C1CC1 ZINC001486113869 893012099 /nfs/dbraw/zinc/01/20/99/893012099.db2.gz ITVSJEGBUVFYSC-ONGXEEELSA-N 0 3 296.371 -1.081 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)[C@@H]1C ZINC001486077470 893012630 /nfs/dbraw/zinc/01/26/30/893012630.db2.gz CNJLQCLQDPGSLE-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@H]1C[C@H](NCC(=O)NC(N)=O)CN1C(=O)c1cn[nH]c1 ZINC001486103029 893012739 /nfs/dbraw/zinc/01/27/39/893012739.db2.gz ZGUGYSVXVATVHW-CBAPKCEASA-N 0 3 294.315 -1.203 20 0 CAADHN CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001486083038 893012989 /nfs/dbraw/zinc/01/29/89/893012989.db2.gz AGUVGQRESFTCTH-VHSXEESVSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H]1C[C@H](NCC(=O)NC(N)=O)CN1C(=O)c1cn[nH]c1 ZINC001486103027 893014328 /nfs/dbraw/zinc/01/43/28/893014328.db2.gz ZGUGYSVXVATVHW-APPZFPTMSA-N 0 3 294.315 -1.203 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC001486105996 893014410 /nfs/dbraw/zinc/01/44/10/893014410.db2.gz SXPKMXPBXYBELY-SFYZADRCSA-N 0 3 256.306 -1.813 20 0 CAADHN C[C@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)c1cc[nH]n1 ZINC001486072572 893014478 /nfs/dbraw/zinc/01/44/78/893014478.db2.gz PWYSHYOEUGBAND-JGVFFNPUSA-N 0 3 294.315 -1.203 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@H](CO)NCCOC)n1 ZINC001486068346 893014691 /nfs/dbraw/zinc/01/46/91/893014691.db2.gz UDZSWONEVLQTSG-SNVBAGLBSA-N 0 3 285.348 -1.067 20 0 CAADHN COCCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C[C@@H]1C ZINC001486098245 893015006 /nfs/dbraw/zinc/01/50/06/893015006.db2.gz MZUOVCAFACRKMQ-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H]1C[C@@H](NCCNS(C)(=O)=O)CN1C(=O)C(N)=O ZINC001486121063 893015408 /nfs/dbraw/zinc/01/54/08/893015408.db2.gz HNRIKOMCSRIQGL-JGVFFNPUSA-N 0 3 292.361 -2.400 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cn2ncnn2)[C@@H]1C ZINC001486077467 893015801 /nfs/dbraw/zinc/01/58/01/893015801.db2.gz CNJLQCLQDPGSLE-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@@H]1C[C@@H](NCCNS(C)(=O)=O)CN1C(=O)C(N)=O ZINC001486121062 893015926 /nfs/dbraw/zinc/01/59/26/893015926.db2.gz HNRIKOMCSRIQGL-HTQZYQBOSA-N 0 3 292.361 -2.400 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001486067283 893015985 /nfs/dbraw/zinc/01/59/85/893015985.db2.gz XWCSDXKFHNLLCC-NWDGAFQWSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CNC(=O)NC)C1 ZINC001486113904 893016079 /nfs/dbraw/zinc/01/60/79/893016079.db2.gz JFOYNTOSKWTPSE-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@H]1C[C@@H](NCC(=O)NC(N)=O)CN1C(=O)c1cn[nH]c1 ZINC001486103031 893016242 /nfs/dbraw/zinc/01/62/42/893016242.db2.gz ZGUGYSVXVATVHW-IONNQARKSA-N 0 3 294.315 -1.203 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001486075878 893016615 /nfs/dbraw/zinc/01/66/15/893016615.db2.gz RICOZWCWKVPEBR-JGVFFNPUSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C(C)(F)F ZINC001486257492 893017133 /nfs/dbraw/zinc/01/71/33/893017133.db2.gz LHJOLCRWFLTLKR-SSDOTTSWSA-N 0 3 267.276 -1.204 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001486223633 893017322 /nfs/dbraw/zinc/01/73/22/893017322.db2.gz HNALFVQMMSPXIP-PSASIEDQSA-N 0 3 284.360 -1.177 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNCC(=O)NC1CC1 ZINC001486254833 893019143 /nfs/dbraw/zinc/01/91/43/893019143.db2.gz YOXPAOPCWNBLSA-SNVBAGLBSA-N 0 3 273.333 -1.680 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCCN(CCO)[C@@H]1C ZINC001486175556 893019925 /nfs/dbraw/zinc/01/99/25/893019925.db2.gz DTSFIGCJHAOCNN-ZJUUUORDSA-N 0 3 272.349 -1.123 20 0 CAADHN C[C@H](N[C@H]1CN(C(=O)C(N)=O)CC1(C)C)C(=O)NC1CC1 ZINC001486239482 893020338 /nfs/dbraw/zinc/02/03/38/893020338.db2.gz BUJZKYLDKNMDFX-WPRPVWTQSA-N 0 3 296.371 -1.035 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001486255431 893020752 /nfs/dbraw/zinc/02/07/52/893020752.db2.gz KUZQQHGOZDFDOH-ZJUUUORDSA-N 0 3 273.333 -1.728 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CNC(C)=O)CC1(C)C ZINC001486223702 893020807 /nfs/dbraw/zinc/02/08/07/893020807.db2.gz IGADDUQAEJGSFG-JTQLQIEISA-N 0 3 284.360 -1.305 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001486255430 893021050 /nfs/dbraw/zinc/02/10/50/893021050.db2.gz KUZQQHGOZDFDOH-VHSXEESVSA-N 0 3 273.333 -1.728 20 0 CAADHN CN(C[C@@H](O)CNCCS(C)(=O)=O)C(=O)C1CC1 ZINC001486255246 893021257 /nfs/dbraw/zinc/02/12/57/893021257.db2.gz HDHXPDDIXHLILH-JTQLQIEISA-N 0 3 278.374 -1.150 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)C1CC1)C(=O)NC(N)=O ZINC001486255061 893021866 /nfs/dbraw/zinc/02/18/66/893021866.db2.gz CCEHEJOKLGYZHP-CBAPKCEASA-N 0 3 286.332 -1.611 20 0 CAADHN CN(C)C(=O)CN[C@H]1CN(C(=O)CC(N)=O)CC1(C)C ZINC001486228955 893022120 /nfs/dbraw/zinc/02/21/20/893022120.db2.gz QTLBURDEFITWCW-VIFPVBQESA-N 0 3 284.360 -1.223 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001486214346 893022270 /nfs/dbraw/zinc/02/22/70/893022270.db2.gz CVYMHJXVTOGHIA-IUCAKERBSA-N 0 3 280.332 -1.293 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@@H](O)CNCCF ZINC001486266665 893023419 /nfs/dbraw/zinc/02/34/19/893023419.db2.gz PKJKKPQMTBTXCV-QMMMGPOBSA-N 0 3 265.285 -1.279 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001486265162 893023486 /nfs/dbraw/zinc/02/34/86/893023486.db2.gz JWYNIYHXVOYCOO-QMMMGPOBSA-N 0 3 269.305 -1.822 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)COC(C)C ZINC001486262557 893023583 /nfs/dbraw/zinc/02/35/83/893023583.db2.gz BMRJZUYGCDTRKO-SNVBAGLBSA-N 0 3 275.349 -1.434 20 0 CAADHN Cc1cccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001486261956 893024092 /nfs/dbraw/zinc/02/40/92/893024092.db2.gz PHPNLLXKHCPCJJ-JTQLQIEISA-N 0 3 280.328 -1.102 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnsn1 ZINC001486264477 893024494 /nfs/dbraw/zinc/02/44/94/893024494.db2.gz FCKUPXHEFZRQNQ-ZETCQYMHSA-N 0 3 287.345 -1.693 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)c1cocn1 ZINC001486266572 893024601 /nfs/dbraw/zinc/02/46/01/893024601.db2.gz VUNNXTIBSRABCG-JTQLQIEISA-N 0 3 296.327 -1.024 20 0 CAADHN CC(C)OCC(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001486263181 893025218 /nfs/dbraw/zinc/02/52/18/893025218.db2.gz MXSOGTGNUGZSKJ-MNOVXSKESA-N 0 3 287.360 -1.291 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001486266137 893025803 /nfs/dbraw/zinc/02/58/03/893025803.db2.gz RXWPYDLFZOOVNK-VIFPVBQESA-N 0 3 288.348 -2.333 20 0 CAADHN Cc1nc([C@@H](C)NC[C@H](O)CN(C)C(=O)CC(N)=O)n[nH]1 ZINC001486265922 893027033 /nfs/dbraw/zinc/02/70/33/893027033.db2.gz FHODFNAIISYBQV-APPZFPTMSA-N 0 3 298.347 -1.542 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccon1 ZINC001486264520 893027071 /nfs/dbraw/zinc/02/70/71/893027071.db2.gz FPENFULNEXSWQT-SECBINFHSA-N 0 3 284.316 -1.167 20 0 CAADHN Cc1cncc(C(=O)N(C)C[C@H](O)CNCC(N)=O)c1 ZINC001486267579 893027582 /nfs/dbraw/zinc/02/75/82/893027582.db2.gz LVJCKRGNPNYLAM-LLVKDONJSA-N 0 3 280.328 -1.102 20 0 CAADHN Cc1ocnc1C(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001486263131 893027876 /nfs/dbraw/zinc/02/78/76/893027876.db2.gz LQBFRTONACWZGN-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001486266600 893027961 /nfs/dbraw/zinc/02/79/61/893027961.db2.gz JASKJTJWIQPQKP-MRVPVSSYSA-N 0 3 274.321 -2.593 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCCCO1 ZINC001486270515 893028852 /nfs/dbraw/zinc/02/88/52/893028852.db2.gz FULQARBVDPYFAH-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)CC(C)(C)O ZINC001486275744 893029108 /nfs/dbraw/zinc/02/91/08/893029108.db2.gz UZVIZSNVSQJKOH-NXEZZACHSA-N 0 3 287.360 -1.555 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CC1(O)CCC1 ZINC001486276739 893029271 /nfs/dbraw/zinc/02/92/71/893029271.db2.gz OYMACFVRLUQJJJ-VIFPVBQESA-N 0 3 273.333 -1.814 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001486271193 893030043 /nfs/dbraw/zinc/03/00/43/893030043.db2.gz MHWORGPOTFOLBP-DTWKUNHWSA-N 0 3 288.348 -2.205 20 0 CAADHN CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001486268494 893030230 /nfs/dbraw/zinc/03/02/30/893030230.db2.gz XBFVIDVDHZGNPX-QWRGUYRKSA-N 0 3 289.376 -1.092 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@H](O)CNCCF)C1 ZINC001486274764 893030444 /nfs/dbraw/zinc/03/04/44/893030444.db2.gz KXRDMSUSTSNKNX-LLVKDONJSA-N 0 3 275.324 -1.157 20 0 CAADHN CCO[C@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001486268492 893030524 /nfs/dbraw/zinc/03/05/24/893030524.db2.gz XBFVIDVDHZGNPX-GHMZBOCLSA-N 0 3 289.376 -1.092 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001486272638 893031035 /nfs/dbraw/zinc/03/10/35/893031035.db2.gz LAGGTOWMBKNYJY-LLVKDONJSA-N 0 3 295.343 -1.365 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001486271194 893031076 /nfs/dbraw/zinc/03/10/76/893031076.db2.gz MHWORGPOTFOLBP-IUCAKERBSA-N 0 3 288.348 -2.205 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001486274137 893031716 /nfs/dbraw/zinc/03/17/16/893031716.db2.gz GOLOIOCYMZHJLW-JQWIXIFHSA-N 0 3 287.360 -1.434 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCCCO1 ZINC001486270513 893031801 /nfs/dbraw/zinc/03/18/01/893031801.db2.gz FULQARBVDPYFAH-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001486271192 893032303 /nfs/dbraw/zinc/03/23/03/893032303.db2.gz MHWORGPOTFOLBP-BDAKNGLRSA-N 0 3 288.348 -2.205 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001486274049 893032343 /nfs/dbraw/zinc/03/23/43/893032343.db2.gz KHARZENJYAOQLZ-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001486275474 893032685 /nfs/dbraw/zinc/03/26/85/893032685.db2.gz PYCGXKIPWMQLEC-JGVFFNPUSA-N 0 3 284.320 -2.289 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCCCO1 ZINC001486270514 893032923 /nfs/dbraw/zinc/03/29/23/893032923.db2.gz FULQARBVDPYFAH-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001486275761 893033131 /nfs/dbraw/zinc/03/31/31/893033131.db2.gz VLBYHVHLTBVPTM-DTWKUNHWSA-N 0 3 296.331 -2.274 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ccon1)C(N)=O ZINC001486268157 893033428 /nfs/dbraw/zinc/03/34/28/893033428.db2.gz VLLXKBQDARTZEM-SFYZADRCSA-N 0 3 270.289 -1.429 20 0 CAADHN CCO[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001486268495 893033600 /nfs/dbraw/zinc/03/36/00/893033600.db2.gz XBFVIDVDHZGNPX-WDEREUQCSA-N 0 3 289.376 -1.092 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)CC(C)(C)O ZINC001486275747 893033643 /nfs/dbraw/zinc/03/36/43/893033643.db2.gz UZVIZSNVSQJKOH-ZJUUUORDSA-N 0 3 287.360 -1.555 20 0 CAADHN C[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)S(C)(=O)=O ZINC001486284921 893034461 /nfs/dbraw/zinc/03/44/61/893034461.db2.gz MDPGPPHYQHCONM-HTQZYQBOSA-N 0 3 295.361 -2.686 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001486281249 893034784 /nfs/dbraw/zinc/03/47/84/893034784.db2.gz NZWLFWAHTBJPBD-DTWKUNHWSA-N 0 3 286.332 -2.593 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@@H]1CCNC1=O ZINC001486281250 893034984 /nfs/dbraw/zinc/03/49/84/893034984.db2.gz NZWLFWAHTBJPBD-IUCAKERBSA-N 0 3 286.332 -2.593 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cn(C)ccc1=O ZINC001486286735 893035063 /nfs/dbraw/zinc/03/50/63/893035063.db2.gz QPZJBRHRLUVZSS-VIFPVBQESA-N 0 3 296.327 -2.107 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001486277316 893035171 /nfs/dbraw/zinc/03/51/71/893035171.db2.gz FLXXHGJBGDPLNB-MJVIPROJSA-N 0 3 299.371 -1.480 20 0 CAADHN CCCn1nccc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001486281915 893035620 /nfs/dbraw/zinc/03/56/20/893035620.db2.gz UWNVSUTWDXXWRE-SNVBAGLBSA-N 0 3 297.359 -1.199 20 0 CAADHN COc1cnc(C(=O)N(C)C[C@H](O)CNCC(N)=O)nc1 ZINC001486287466 893035915 /nfs/dbraw/zinc/03/59/15/893035915.db2.gz WYTDXIDWYCOLBK-MRVPVSSYSA-N 0 3 297.315 -2.007 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cnn2c1CCC2 ZINC001486278349 893036020 /nfs/dbraw/zinc/03/60/20/893036020.db2.gz IJFBXQXUOJFNDQ-VIFPVBQESA-N 0 3 295.343 -1.663 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccns1 ZINC001486277801 893037018 /nfs/dbraw/zinc/03/70/18/893037018.db2.gz BGWNRDLPCFXSSJ-QMMMGPOBSA-N 0 3 286.357 -1.088 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001486278258 893037391 /nfs/dbraw/zinc/03/73/91/893037391.db2.gz HIKNRGNAGUUSBA-JGVFFNPUSA-N 0 3 289.336 -2.802 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001486292671 893039244 /nfs/dbraw/zinc/03/92/44/893039244.db2.gz NAVFRUOBHLGYHH-JGVFFNPUSA-N 0 3 284.320 -1.991 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001486297413 893039620 /nfs/dbraw/zinc/03/96/20/893039620.db2.gz WBFJETPATFVWMA-KKJSVHSVSA-N 0 3 299.371 -1.578 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001486292129 893040129 /nfs/dbraw/zinc/04/01/29/893040129.db2.gz WNSYBPWHZIHTIC-WZRBSPASSA-N 0 3 299.371 -1.304 20 0 CAADHN CC[C@@H](C)NC(=O)CNC[C@H](O)CN(C)C(=O)C(N)=O ZINC001486298614 893040208 /nfs/dbraw/zinc/04/02/08/893040208.db2.gz SRMNUYFJOUDLRG-BDAKNGLRSA-N 0 3 288.348 -2.205 20 0 CAADHN Cc1cc(CNC[C@H](O)CN(C)C(=O)C(N)=O)sn1 ZINC001486298737 893040322 /nfs/dbraw/zinc/04/03/22/893040322.db2.gz WLWWOSOAFQKPCW-QMMMGPOBSA-N 0 3 286.357 -1.154 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001486298246 893040829 /nfs/dbraw/zinc/04/08/29/893040829.db2.gz YGOUJIMOTNOYDW-SSDOTTSWSA-N 0 3 285.308 -3.021 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1n[nH]cc1F ZINC001486298981 893040919 /nfs/dbraw/zinc/04/09/19/893040919.db2.gz BENYUCAUYZNSBB-CBAPKCEASA-N 0 3 299.306 -1.540 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1nccn1C ZINC001486289512 893041078 /nfs/dbraw/zinc/04/10/78/893041078.db2.gz BZHCZURBSKXIFD-JTQLQIEISA-N 0 3 297.359 -1.753 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001486297412 893041810 /nfs/dbraw/zinc/04/18/10/893041810.db2.gz WBFJETPATFVWMA-JCIQBVFBSA-N 0 3 299.371 -1.578 20 0 CAADHN Cc1cncc(CC(=O)N(C)C[C@H](O)CNCC(N)=O)c1 ZINC001486290925 893041897 /nfs/dbraw/zinc/04/18/97/893041897.db2.gz HCOYHXVYLFGNPF-GFCCVEGCSA-N 0 3 294.355 -1.173 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001486300905 893042051 /nfs/dbraw/zinc/04/20/51/893042051.db2.gz IADAVWCGAGUZMM-UWVGGRQHSA-N 0 3 288.348 -2.205 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)C(N)=O ZINC001486298809 893042130 /nfs/dbraw/zinc/04/21/30/893042130.db2.gz XQLLRTKKBKDYFH-QMMMGPOBSA-N 0 3 274.321 -2.595 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CCC(=O)N1C ZINC001486296770 893042384 /nfs/dbraw/zinc/04/23/84/893042384.db2.gz SAAPSWLLXAMIFJ-DTWKUNHWSA-N 0 3 286.332 -2.499 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1n[nH]cc1F ZINC001486298982 893042728 /nfs/dbraw/zinc/04/27/28/893042728.db2.gz BENYUCAUYZNSBB-IONNQARKSA-N 0 3 299.306 -1.540 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1cncc1C ZINC001486289715 893042786 /nfs/dbraw/zinc/04/27/86/893042786.db2.gz QKCDFENZXOUQJP-NSHDSACASA-N 0 3 297.359 -1.654 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001486292128 893042820 /nfs/dbraw/zinc/04/28/20/893042820.db2.gz WNSYBPWHZIHTIC-LOWVWBTDSA-N 0 3 299.371 -1.304 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)C(N)=O ZINC001486297652 893043084 /nfs/dbraw/zinc/04/30/84/893043084.db2.gz GPWSPJMUFKXQER-BQBZGAKWSA-N 0 3 260.294 -2.985 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001486292670 893043274 /nfs/dbraw/zinc/04/32/74/893043274.db2.gz NAVFRUOBHLGYHH-HTQZYQBOSA-N 0 3 284.320 -1.991 20 0 CAADHN CC[C@@H](C)NC(=O)CNC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001486298617 893043669 /nfs/dbraw/zinc/04/36/69/893043669.db2.gz SRMNUYFJOUDLRG-RKDXNWHRSA-N 0 3 288.348 -2.205 20 0 CAADHN Cc1cc(=O)c(C(=O)N(C)C[C@H](O)CNCC(N)=O)c[nH]1 ZINC001486307824 893044374 /nfs/dbraw/zinc/04/43/74/893044374.db2.gz HTMGIRMJYGGRCH-SECBINFHSA-N 0 3 296.327 -1.809 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)nn1 ZINC001486308446 893044719 /nfs/dbraw/zinc/04/47/19/893044719.db2.gz NMUXMYKXRNPVEV-DTWKUNHWSA-N 0 3 298.347 -1.806 20 0 CAADHN C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1)C(N)=O ZINC001486305237 893045206 /nfs/dbraw/zinc/04/52/06/893045206.db2.gz BGTNAUVCUJDDRT-RQJHMYQMSA-N 0 3 270.293 -2.299 20 0 CAADHN CCn1ccc(C(=O)N(C)C[C@H](O)CNCC(=O)NC)n1 ZINC001486303739 893045811 /nfs/dbraw/zinc/04/58/11/893045811.db2.gz VOSAISIQCLYJAM-SNVBAGLBSA-N 0 3 297.359 -1.329 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)CCc1cn[nH]c1)C(N)=O ZINC001486304025 893045912 /nfs/dbraw/zinc/04/59/12/893045912.db2.gz DZPQCEMQLWEYIH-KOLCDFICSA-N 0 3 297.359 -1.375 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1)C(N)=O ZINC001486307224 893046965 /nfs/dbraw/zinc/04/69/65/893046965.db2.gz OLNCTVZBIKIGGE-NXEZZACHSA-N 0 3 297.359 -1.375 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001486305369 893047664 /nfs/dbraw/zinc/04/76/64/893047664.db2.gz DKSPMHKFUPGASN-VIFPVBQESA-N 0 3 299.331 -1.383 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)nn1 ZINC001486308670 893048011 /nfs/dbraw/zinc/04/80/11/893048011.db2.gz QHWQRBYPRSYDGN-MRVPVSSYSA-N 0 3 284.320 -2.194 20 0 CAADHN CCc1ncoc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001486313840 893048188 /nfs/dbraw/zinc/04/81/88/893048188.db2.gz YCXLOMMZMFHMOQ-MRVPVSSYSA-N 0 3 284.316 -1.255 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)nn1 ZINC001486308439 893048311 /nfs/dbraw/zinc/04/83/11/893048311.db2.gz NMUXMYKXRNPVEV-BDAKNGLRSA-N 0 3 298.347 -1.806 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)Cc1ncc[nH]1)C(N)=O ZINC001486307225 893048443 /nfs/dbraw/zinc/04/84/43/893048443.db2.gz OLNCTVZBIKIGGE-UWVGGRQHSA-N 0 3 297.359 -1.375 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccncn1 ZINC001486305428 893048651 /nfs/dbraw/zinc/04/86/51/893048651.db2.gz FYTPAVCXYQPPRD-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)C[C@@H](O)CNCCF ZINC001486316803 893049561 /nfs/dbraw/zinc/04/95/61/893049561.db2.gz IRVDDIGKBCRFLT-QMMMGPOBSA-N 0 3 285.341 -2.086 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001486318967 893049790 /nfs/dbraw/zinc/04/97/90/893049790.db2.gz FNGIPPDTUSQCKE-SFYZADRCSA-N 0 3 285.304 -1.726 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001486321039 893049830 /nfs/dbraw/zinc/04/98/30/893049830.db2.gz YKZAKYOIOADAFB-IUCAKERBSA-N 0 3 297.315 -1.711 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cn1ccnc1)C(N)=O ZINC001486320555 893050918 /nfs/dbraw/zinc/05/09/18/893050918.db2.gz VCTAHKZONQLYLP-VHSXEESVSA-N 0 3 283.332 -1.834 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001486331102 893053921 /nfs/dbraw/zinc/05/39/21/893053921.db2.gz USBCHDOMSLCYID-LLVKDONJSA-N 0 3 290.360 -1.117 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001486328055 893054466 /nfs/dbraw/zinc/05/44/66/893054466.db2.gz VFXPOSJUPFGQBA-SNVBAGLBSA-N 0 3 256.306 -1.233 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)CC1OCCCO1 ZINC001486331103 893054905 /nfs/dbraw/zinc/05/49/05/893054905.db2.gz USBCHDOMSLCYID-NSHDSACASA-N 0 3 290.360 -1.117 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001486331500 893056091 /nfs/dbraw/zinc/05/60/91/893056091.db2.gz BWLJMAWEOBCZMM-SECBINFHSA-N 0 3 283.332 -1.584 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001486343723 893056431 /nfs/dbraw/zinc/05/64/31/893056431.db2.gz DUHWFANQNSVAQF-VHSXEESVSA-N 0 3 288.348 -2.247 20 0 CAADHN CN(CCOC1CCC1)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001486346772 893056549 /nfs/dbraw/zinc/05/65/49/893056549.db2.gz IKVBCBVUKIZEQZ-JTQLQIEISA-N 0 3 287.360 -1.208 20 0 CAADHN COc1nccc(C(=O)N(C)C[C@H](O)CN(C)CCO)n1 ZINC001486338975 893057228 /nfs/dbraw/zinc/05/72/28/893057228.db2.gz LIICQRPLQBWKKW-SNVBAGLBSA-N 0 3 298.343 -1.158 20 0 CAADHN COc1nccc(C(=O)N(C)C[C@@H](O)CN(C)CCO)n1 ZINC001486338974 893057613 /nfs/dbraw/zinc/05/76/13/893057613.db2.gz LIICQRPLQBWKKW-JTQLQIEISA-N 0 3 298.343 -1.158 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001486343725 893058084 /nfs/dbraw/zinc/05/80/84/893058084.db2.gz DUHWFANQNSVAQF-ZJUUUORDSA-N 0 3 288.348 -2.247 20 0 CAADHN CN(CCOC1CCC1)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001486346773 893058138 /nfs/dbraw/zinc/05/81/38/893058138.db2.gz IKVBCBVUKIZEQZ-SNVBAGLBSA-N 0 3 287.360 -1.208 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](C)N(C)C(=O)C(N)=O ZINC001486878547 893084090 /nfs/dbraw/zinc/08/40/90/893084090.db2.gz STRXQTFOUWGKQM-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001486349066 893058912 /nfs/dbraw/zinc/05/89/12/893058912.db2.gz OCNQIERBMTVEMC-GWCFXTLKSA-N 0 3 287.360 -1.602 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1ccn(C)c(=O)c1 ZINC001486339835 893061527 /nfs/dbraw/zinc/06/15/27/893061527.db2.gz AHOSWBSPPGFNPL-GFCCVEGCSA-N 0 3 297.355 -1.258 20 0 CAADHN CN(CC(N)=O)C[C@H](O)CN(C)C(=O)C1=NC(=O)N(C)C1 ZINC001486346585 893062275 /nfs/dbraw/zinc/06/22/75/893062275.db2.gz GXUKUXUBKALZOE-QMMMGPOBSA-N 0 3 299.331 -2.024 20 0 CAADHN C[C@@H](CC(=O)N(C)C[C@H](O)CN(C)CCO)NC(N)=O ZINC001486335852 893063662 /nfs/dbraw/zinc/06/36/62/893063662.db2.gz XGKVKMYLWCYDAA-VHSXEESVSA-N 0 3 290.364 -1.823 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)CC(N)=O)C(C)(C)C)C(N)=O ZINC001486390677 893064609 /nfs/dbraw/zinc/06/46/09/893064609.db2.gz LOVRZYFFNHVFBU-HTQZYQBOSA-N 0 3 272.349 -1.144 20 0 CAADHN CC(C)(C)[C@@H](C[NH2+]CC(N)=O)NC(=O)Cc1nnc[n-]1 ZINC001486418053 893064680 /nfs/dbraw/zinc/06/46/80/893064680.db2.gz QEGLFDFIFZDHFU-MRVPVSSYSA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)C1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC001486439547 893064723 /nfs/dbraw/zinc/06/47/23/893064723.db2.gz CGFWQQWUGMGVOS-MWLCHTKSSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001486410994 893066479 /nfs/dbraw/zinc/06/64/79/893066479.db2.gz LXACXNCXJJUYEC-VIFPVBQESA-N 0 3 295.343 -1.011 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001486354069 893067447 /nfs/dbraw/zinc/06/74/47/893067447.db2.gz PAUMDASCIVFUDQ-NSHDSACASA-N 0 3 289.376 -1.356 20 0 CAADHN CN(C(=O)CC(N)=O)C1CC(NCc2cnnn2C)C1 ZINC001486458492 893068986 /nfs/dbraw/zinc/06/89/86/893068986.db2.gz FKUDPJKUTSAZFM-UHFFFAOYSA-N 0 3 280.332 -1.231 20 0 CAADHN CNC(=O)[C@@H](C)NCCOCCN(C)C(=O)C(N)=O ZINC001486498037 893071952 /nfs/dbraw/zinc/07/19/52/893071952.db2.gz ZXAARLMRRFJGPD-MRVPVSSYSA-N 0 3 274.321 -2.329 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1cn(C)cn1 ZINC001486493690 893072081 /nfs/dbraw/zinc/07/20/81/893072081.db2.gz HPESQMKSTIDHLC-UHFFFAOYSA-N 0 3 283.332 -1.416 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1nnn(C)n1 ZINC001486495724 893072317 /nfs/dbraw/zinc/07/23/17/893072317.db2.gz DIAXZVKKMIHCOM-UHFFFAOYSA-N 0 3 285.308 -2.626 20 0 CAADHN C[C@H]1CO[C@@H](C(=O)N(C)CCOCCNCC(N)=O)C1 ZINC001486495050 893072719 /nfs/dbraw/zinc/07/27/19/893072719.db2.gz HZEVAXADFNHJGZ-GHMZBOCLSA-N 0 3 287.360 -1.039 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001486498522 893075663 /nfs/dbraw/zinc/07/56/63/893075663.db2.gz CQQYNAQADJHYHL-VIFPVBQESA-N 0 3 286.332 -2.185 20 0 CAADHN CNC(=O)[C@H](C)NCCOCCN(C)C(=O)C(N)=O ZINC001486498038 893076297 /nfs/dbraw/zinc/07/62/97/893076297.db2.gz ZXAARLMRRFJGPD-QMMMGPOBSA-N 0 3 274.321 -2.329 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2CC(CNC(=O)C(N)=O)C2)C1 ZINC001486621976 893076364 /nfs/dbraw/zinc/07/63/64/893076364.db2.gz SOKMFKLBMFKAQS-WHXUTIOJSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2CC(CNC(=O)C(N)=O)C2)C1 ZINC001486621975 893076428 /nfs/dbraw/zinc/07/64/28/893076428.db2.gz SOKMFKLBMFKAQS-KPPDAEKUSA-N 0 3 296.371 -1.176 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](C)[C@H](C)NC(=O)C(N)=O ZINC001486727031 893078125 /nfs/dbraw/zinc/07/81/25/893078125.db2.gz HGQKBOQQRUUTHQ-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CCN(CC)CC(=O)N(C)[C@H](C)CNC(=O)C(N)=O ZINC001486977254 893080627 /nfs/dbraw/zinc/08/06/27/893080627.db2.gz BJKZOILXRBLEFP-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](C)N(C)C(=O)C(N)=O ZINC001486878548 893081901 /nfs/dbraw/zinc/08/19/01/893081901.db2.gz STRXQTFOUWGKQM-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN CCN(CC)CC(=O)N(C)[C@@H](C)CNC(=O)C(N)=O ZINC001486977255 893082120 /nfs/dbraw/zinc/08/21/20/893082120.db2.gz BJKZOILXRBLEFP-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](C)C1CN(C(=O)C(N)=O)C1)N(C)C ZINC001487223395 893089451 /nfs/dbraw/zinc/08/94/51/893089451.db2.gz AYJAZPBKSOXCIQ-WPRPVWTQSA-N 0 3 284.360 -1.225 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](CNC(=O)C(N)=O)C1 ZINC001487440426 893094529 /nfs/dbraw/zinc/09/45/29/893094529.db2.gz ORNVGQUJQDERAF-KYZUINATSA-N 0 3 293.327 -1.243 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001487450853 893095787 /nfs/dbraw/zinc/09/57/87/893095787.db2.gz VLVFMNBMKKEHRY-GMTAPVOTSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H]1CCCN1CC(=O)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001487450851 893096278 /nfs/dbraw/zinc/09/62/78/893096278.db2.gz VLVFMNBMKKEHRY-DCAQKATOSA-N 0 3 296.371 -1.033 20 0 CAADHN CCCN(C)CC(=O)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001487449354 893097190 /nfs/dbraw/zinc/09/71/90/893097190.db2.gz HNPYIDTXNQOTNH-MGCOHNPYSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)NC(=O)C(N)=O ZINC001487806388 893102174 /nfs/dbraw/zinc/10/21/74/893102174.db2.gz ZSVLVPXFDQVHBJ-SECBINFHSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(C)C1(C(=O)NC[C@@H](CO)NC(=O)C(N)=O)CCC1 ZINC001488018731 893133153 /nfs/dbraw/zinc/13/31/53/893133153.db2.gz LBGAHTACKBEHEO-QMMMGPOBSA-N 0 3 286.332 -2.451 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NC(=O)[C@H](C)OC)N(C)C ZINC001488098245 893144974 /nfs/dbraw/zinc/14/49/74/893144974.db2.gz FQAMVROHCGZDQE-AXFHLTTASA-N 0 3 289.376 -1.045 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@H](C)OC)N(C)C ZINC001488098248 893145010 /nfs/dbraw/zinc/14/50/10/893145010.db2.gz FQAMVROHCGZDQE-DCAQKATOSA-N 0 3 289.376 -1.045 20 0 CAADHN CCCN(C)CC(=O)N(C)C[C@@H](O)CNC(=O)C(N)=O ZINC001488387205 893158446 /nfs/dbraw/zinc/15/84/46/893158446.db2.gz ZXGWUZKJRIPVJI-VIFPVBQESA-N 0 3 288.348 -2.251 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(=O)N(C)C ZINC001488525732 893161988 /nfs/dbraw/zinc/16/19/88/893161988.db2.gz KQGTXQCJZJTFCR-HRDYMLBCSA-N 0 3 270.333 -1.615 20 0 CAADHN CC(=O)NCC(=O)NC[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001488701378 893164494 /nfs/dbraw/zinc/16/44/94/893164494.db2.gz NMJWSFYPDTWXDE-PHIMTYICSA-N 0 3 294.359 -1.064 20 0 CAADHN C[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H](CNCC(N)=O)C1 ZINC001489030998 893170181 /nfs/dbraw/zinc/17/01/81/893170181.db2.gz HNFREPIGVXOVCA-OUAUKWLOSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001488873852 893171993 /nfs/dbraw/zinc/17/19/93/893171993.db2.gz ZWAKVROUYTVBNX-CIUDSAMLSA-N 0 3 280.332 -1.295 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1C[C@H](C)CCN1C(=O)C(N)=O ZINC001489044419 893172256 /nfs/dbraw/zinc/17/22/56/893172256.db2.gz UNYSSYQDSDMNEG-UTLUCORTSA-N 0 3 284.360 -1.177 20 0 CAADHN O=C(Cn1ncnn1)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001489159926 893173058 /nfs/dbraw/zinc/17/30/58/893173058.db2.gz CIWIXACAQOTRCX-LLVKDONJSA-N 0 3 298.347 -2.049 20 0 CAADHN CO[C@@H](C)CN(CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001489171240 893174156 /nfs/dbraw/zinc/17/41/56/893174156.db2.gz YMDADJLRVYSGAQ-WDEREUQCSA-N 0 3 287.360 -1.208 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001489267332 893174427 /nfs/dbraw/zinc/17/44/27/893174427.db2.gz IGYODOVSCXSHTA-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN CO[C@H](C)CN(CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001489171238 893175365 /nfs/dbraw/zinc/17/53/65/893175365.db2.gz YMDADJLRVYSGAQ-MNOVXSKESA-N 0 3 287.360 -1.208 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CN(C(=O)COC)C[C@@H]1O)N(C)C ZINC001489595320 893184056 /nfs/dbraw/zinc/18/40/56/893184056.db2.gz XLRULESNGNWHDZ-MXWKQRLJSA-N 0 3 287.360 -1.339 20 0 CAADHN CN(CCCNC(=O)[C@@H]1COC(=O)N1)[C@H]1CCCNC1=O ZINC001490188521 893191222 /nfs/dbraw/zinc/19/12/22/893191222.db2.gz YJIQQKBYYWVXAB-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN CN(CCCNC(=O)[C@H]1COC(=O)N1)[C@@H]1CCCNC1=O ZINC001490188339 893192539 /nfs/dbraw/zinc/19/25/39/893192539.db2.gz YJIQQKBYYWVXAB-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN Cc1nnc(CC(=O)NCCCN(C)[C@H]2CCNC2=O)[nH]1 ZINC001490193646 893192570 /nfs/dbraw/zinc/19/25/70/893192570.db2.gz VZULDIIOHJFFHN-JTQLQIEISA-N 0 3 294.359 -1.018 20 0 CAADHN CN(CCCNC(=O)CC(N)=O)[C@H]1CCCNC1=O ZINC001490169841 893192585 /nfs/dbraw/zinc/19/25/85/893192585.db2.gz RHOOLLADEMXNDT-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CN(CCCNC(=O)[C@@H]1COC(=O)N1)[C@@H]1CCCNC1=O ZINC001490188523 893192685 /nfs/dbraw/zinc/19/26/85/893192685.db2.gz YJIQQKBYYWVXAB-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN CCN(CCCNC(=O)[C@H]1COC(=O)N1)[C@@H]1CCNC1=O ZINC001490323080 893201278 /nfs/dbraw/zinc/20/12/78/893201278.db2.gz HEUUMDOGIYGQOV-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN CCN1CCN(CCCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001490473207 893201884 /nfs/dbraw/zinc/20/18/84/893201884.db2.gz GJSCBWGQVKUWMZ-NSHDSACASA-N 0 3 283.376 -1.188 20 0 CAADHN CCN(CCCNC(=O)[C@H]1CCC(=O)N1)[C@@H](C)C(N)=O ZINC001490318674 893202065 /nfs/dbraw/zinc/20/20/65/893202065.db2.gz PSZRONCIRBQWEB-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CCCNC(=O)CNC(=O)NC)[C@H]1CCNC1=O ZINC001490330305 893202363 /nfs/dbraw/zinc/20/23/63/893202363.db2.gz SDQCFVDTYGNTGL-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CCN(CCCNC(=O)[C@@H]1COC(=O)N1)[C@H]1CCNC1=O ZINC001490323082 893202976 /nfs/dbraw/zinc/20/29/76/893202976.db2.gz HEUUMDOGIYGQOV-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN CCN(CCCNC(=O)[C@@H]1CN(C)CCO1)CC(N)=O ZINC001490319452 893203187 /nfs/dbraw/zinc/20/31/87/893203187.db2.gz ZKBPKRUQGXSSKH-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCCN(C[C@H](C)O)C1 ZINC001490440138 893203928 /nfs/dbraw/zinc/20/39/28/893203928.db2.gz ALLAAOGBCOLSJJ-UWVGGRQHSA-N 0 3 272.349 -1.123 20 0 CAADHN CCN(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)[C@H](C)C(N)=O ZINC001490347669 893204601 /nfs/dbraw/zinc/20/46/01/893204601.db2.gz PMQCWBILGVGZMA-BBBLOLIVSA-N 0 3 284.360 -1.190 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)C(N)=O ZINC001491261599 893255787 /nfs/dbraw/zinc/25/57/87/893255787.db2.gz YOOWURUIYPVRFK-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN O=C(NCCN1CCN(CC2CC2)CC1)[C@H]1CNC(=O)N1 ZINC001490500328 893210260 /nfs/dbraw/zinc/21/02/60/893210260.db2.gz DMBIAJOUUGQDTP-GFCCVEGCSA-N 0 3 295.387 -1.188 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](NCC(=O)NC(N)=O)C1CC1 ZINC001490638453 893211430 /nfs/dbraw/zinc/21/14/30/893211430.db2.gz MCISINZVJRMVLP-APPZFPTMSA-N 0 3 286.332 -1.299 20 0 CAADHN NC(=O)NC(=O)CN[C@@H](CNC(=O)[C@@H]1CCOC1)C1CC1 ZINC001490642475 893212078 /nfs/dbraw/zinc/21/20/78/893212078.db2.gz RGYUSATUKQBTOB-ZJUUUORDSA-N 0 3 298.343 -1.298 20 0 CAADHN O=C(CCC(=O)N1CCOCC1)N[C@@H]1CCN(CCO)C1 ZINC001490574462 893212704 /nfs/dbraw/zinc/21/27/04/893212704.db2.gz LJYREHXAWXNLOE-GFCCVEGCSA-N 0 3 299.371 -1.192 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](N[C@@H](C)C(N)=O)C1CC1 ZINC001490659803 893213122 /nfs/dbraw/zinc/21/31/22/893213122.db2.gz UNJFWNGKMHWJCB-WPRPVWTQSA-N 0 3 299.375 -1.336 20 0 CAADHN NC(=O)NC(=O)CN[C@H](CNC(=O)[C@@H]1CCOC1)C1CC1 ZINC001490642470 893214120 /nfs/dbraw/zinc/21/41/20/893214120.db2.gz RGYUSATUKQBTOB-NXEZZACHSA-N 0 3 298.343 -1.298 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001490643154 893214755 /nfs/dbraw/zinc/21/47/55/893214755.db2.gz SPYWZDTYRGSARL-RYUDHWBXSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001490566071 893215180 /nfs/dbraw/zinc/21/51/80/893215180.db2.gz ABELHEGHYCBHEI-NXEZZACHSA-N 0 3 268.321 -1.366 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001490643152 893216176 /nfs/dbraw/zinc/21/61/76/893216176.db2.gz SPYWZDTYRGSARL-NWDGAFQWSA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C1=COCCO1)C1CC1 ZINC001490632704 893216310 /nfs/dbraw/zinc/21/63/10/893216310.db2.gz UNMOQHYXRIIFPQ-VIFPVBQESA-N 0 3 269.301 -1.156 20 0 CAADHN NC(=O)NCCC(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001490736367 893217381 /nfs/dbraw/zinc/21/73/81/893217381.db2.gz UZZXTWLUZQQMQA-NXEZZACHSA-N 0 3 297.359 -1.582 20 0 CAADHN NC(=O)C(=O)NC[C@H](N[C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001490699861 893217862 /nfs/dbraw/zinc/21/78/62/893217862.db2.gz HRWKWCWAAJTCOK-SFYZADRCSA-N 0 3 282.300 -2.239 20 0 CAADHN C[C@H](N[C@H](CNC(=O)c1cnn(C)n1)C1CC1)C(N)=O ZINC001490722107 893218096 /nfs/dbraw/zinc/21/80/96/893218096.db2.gz IKSXWENUWIZWID-IONNQARKSA-N 0 3 280.332 -1.213 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001490697872 893218204 /nfs/dbraw/zinc/21/82/04/893218204.db2.gz BLDWDGYZFZMDRE-NXEZZACHSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001490700832 893218357 /nfs/dbraw/zinc/21/83/57/893218357.db2.gz NZAFGLQLPMMUOO-SCZZXKLOSA-N 0 3 296.371 -1.129 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001490810717 893218518 /nfs/dbraw/zinc/21/85/18/893218518.db2.gz OCGWNRFJYYHFMQ-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)c1cnn(C)n1)C1CC1)C(N)=O ZINC001490722109 893218571 /nfs/dbraw/zinc/21/85/71/893218571.db2.gz IKSXWENUWIZWID-VXNVDRBHSA-N 0 3 280.332 -1.213 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001490693542 893218734 /nfs/dbraw/zinc/21/87/34/893218734.db2.gz KGXFBIRVUFFXKF-CBAPKCEASA-N 0 3 270.333 -1.532 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)C1(C(N)=O)CC1)C1CC1)C(N)=O ZINC001490700554 893218983 /nfs/dbraw/zinc/21/89/83/893218983.db2.gz LYMBLNGIGFBNQG-VXNVDRBHSA-N 0 3 282.344 -1.390 20 0 CAADHN CCN(CC)C(=O)CN[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001490700770 893219039 /nfs/dbraw/zinc/21/90/39/893219039.db2.gz NKXSSYSOWUJAKG-JTQLQIEISA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001490693545 893219324 /nfs/dbraw/zinc/21/93/24/893219324.db2.gz KGXFBIRVUFFXKF-VXNVDRBHSA-N 0 3 270.333 -1.532 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001490731450 893219780 /nfs/dbraw/zinc/21/97/80/893219780.db2.gz BFXRUWDPBKBEQT-QWRGUYRKSA-N 0 3 296.371 -1.115 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)Cn1ccnc1)C1CC1 ZINC001490743401 893220176 /nfs/dbraw/zinc/22/01/76/893220176.db2.gz ARDAVSVQYCYELW-JTQLQIEISA-N 0 3 265.317 -1.147 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001490741922 893220272 /nfs/dbraw/zinc/22/02/72/893220272.db2.gz XVMXRSNMMHYCAR-MRVPVSSYSA-N 0 3 292.361 -2.495 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)Cc1ncc[nH]1)C1CC1 ZINC001490721886 893220491 /nfs/dbraw/zinc/22/04/91/893220491.db2.gz HUQCLPXPBRKXKO-SECBINFHSA-N 0 3 265.317 -1.078 20 0 CAADHN NC(=O)C(=O)NC[C@@H](NCC(=O)NCC1CC1)C1CC1 ZINC001490699107 893220688 /nfs/dbraw/zinc/22/06/88/893220688.db2.gz CDBOJIZOQPSFHM-SNVBAGLBSA-N 0 3 282.344 -1.518 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001490700837 893221022 /nfs/dbraw/zinc/22/10/22/893221022.db2.gz NZAFGLQLPMMUOO-WPRPVWTQSA-N 0 3 296.371 -1.129 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001490836571 893221729 /nfs/dbraw/zinc/22/17/29/893221729.db2.gz NOQJUGLQPSPIGE-JGVFFNPUSA-N 0 3 297.315 -2.492 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1)C(N)=O ZINC001490845228 893222731 /nfs/dbraw/zinc/22/27/31/893222731.db2.gz PTDIDUFVLMNXIZ-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001490819645 893223112 /nfs/dbraw/zinc/22/31/12/893223112.db2.gz MLVRKDFXNRXOSZ-CIUDSAMLSA-N 0 3 283.332 -1.878 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1)C(N)=O ZINC001490819827 893224018 /nfs/dbraw/zinc/22/40/18/893224018.db2.gz SUCBGQIYMOEJGS-CSMHCCOUSA-N 0 3 271.321 -1.893 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001490840359 893225292 /nfs/dbraw/zinc/22/52/92/893225292.db2.gz VYGDNXZORUDBJN-VIFPVBQESA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC001490820051 893224934 /nfs/dbraw/zinc/22/49/34/893224934.db2.gz QOKXUAMLDIWTHW-VIFPVBQESA-N 0 3 280.332 -1.326 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001490845133 893225538 /nfs/dbraw/zinc/22/55/38/893225538.db2.gz GMYLRDIXJIJATH-VIFPVBQESA-N 0 3 296.327 -2.024 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001490816327 893225474 /nfs/dbraw/zinc/22/54/74/893225474.db2.gz QMKQUJZYUJHMHZ-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001491002955 893230873 /nfs/dbraw/zinc/23/08/73/893230873.db2.gz LLUJXIXUIJHGDG-OCAPTIKFSA-N 0 3 277.346 -1.986 20 0 CAADHN Cc1cc(NC(=O)CN[C@H]2C[C@@H](NC(=O)C(N)=O)C2)on1 ZINC001491051107 893232550 /nfs/dbraw/zinc/23/25/50/893232550.db2.gz TXNROTPECWBGGQ-OCAPTIKFSA-N 0 3 295.299 -1.356 20 0 CAADHN NC(=O)CC(=O)NC[C@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC001491101446 893239946 /nfs/dbraw/zinc/23/99/46/893239946.db2.gz MQKWVPVNDNCKMP-GHMZBOCLSA-N 0 3 296.371 -1.031 20 0 CAADHN CN1CCC[C@@H](N2CCC[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001491121556 893241995 /nfs/dbraw/zinc/24/19/95/893241995.db2.gz ZDJNIBLTNVPPBZ-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNC(=O)[C@@H]2COCCO2)C1 ZINC001491129548 893244194 /nfs/dbraw/zinc/24/41/94/893244194.db2.gz ZVJNGNVTXBXJRJ-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNC(=O)[C@H]2COCCO2)C1 ZINC001491129551 893246203 /nfs/dbraw/zinc/24/62/03/893246203.db2.gz ZVJNGNVTXBXJRJ-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCNC1=O ZINC001491259531 893254839 /nfs/dbraw/zinc/25/48/39/893254839.db2.gz WJRJHPOOSSQBGZ-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@H](C)NC(N)=O)N(C)C ZINC001491249385 893255906 /nfs/dbraw/zinc/25/59/06/893255906.db2.gz RDKQPICAAXWJCQ-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)NCC(=O)NCCNC(=O)CN1CCC[C@H]1C ZINC001491361108 893263105 /nfs/dbraw/zinc/26/31/05/893263105.db2.gz JYKYIIWISSQWHS-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C1=COCCO1 ZINC001491388218 893266398 /nfs/dbraw/zinc/26/63/98/893266398.db2.gz NBCYXVYTTLWPAC-MRVPVSSYSA-N 0 3 257.290 -1.285 20 0 CAADHN CCOCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC(=O)NC ZINC001491388197 893266050 /nfs/dbraw/zinc/26/60/50/893266050.db2.gz MUCBYVXWMIPMKS-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001491398963 893266595 /nfs/dbraw/zinc/26/65/95/893266595.db2.gz PENGIQDTEVPEOC-WCBMZHEXSA-N 0 3 270.333 -1.553 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)Cn1cnnn1 ZINC001491389614 893266680 /nfs/dbraw/zinc/26/66/80/893266680.db2.gz LVMNOUJSBQJTHP-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCCNC1=O ZINC001491400152 893267298 /nfs/dbraw/zinc/26/72/98/893267298.db2.gz BNTWTANFOGXTOV-RKDXNWHRSA-N 0 3 286.332 -1.285 20 0 CAADHN CCOCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC(N)=O ZINC001491388577 893267443 /nfs/dbraw/zinc/26/74/43/893267443.db2.gz ORIVTBKURIKUQE-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001491389970 893267705 /nfs/dbraw/zinc/26/77/05/893267705.db2.gz NBGXOOYRTAIYML-VIFPVBQESA-N 0 3 283.336 -1.708 20 0 CAADHN COCC(=O)NC[C@@H](C)NCC(=O)N1CCOCC1 ZINC001491372671 893267815 /nfs/dbraw/zinc/26/78/15/893267815.db2.gz VWSSFJDFVJKSFC-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN C[C@H](CNC(=O)c1ccon1)NCC(=O)NC(N)=O ZINC001491400243 893267975 /nfs/dbraw/zinc/26/79/75/893267975.db2.gz CBQHJGJJQVWUOH-ZCFIWIBFSA-N 0 3 269.261 -1.423 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)Cn1cnnn1 ZINC001491389967 893268335 /nfs/dbraw/zinc/26/83/35/893268335.db2.gz NBGXOOYRTAIYML-SECBINFHSA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@H](CNC(=O)c1ccc[nH]1)NCC(=O)NC(N)=O ZINC001491391643 893268736 /nfs/dbraw/zinc/26/87/36/893268736.db2.gz ZAIORUGHZJCZRF-SSDOTTSWSA-N 0 3 267.289 -1.083 20 0 CAADHN CCOCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC(=O)NC ZINC001491388199 893269475 /nfs/dbraw/zinc/26/94/75/893269475.db2.gz MUCBYVXWMIPMKS-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)NCC(=O)NC1CC1 ZINC001491391592 893269665 /nfs/dbraw/zinc/26/96/65/893269665.db2.gz XXQRKHYMKLYUQY-SNVBAGLBSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)C(N)=O)NCCS(C)(=O)=O ZINC001491492305 893281676 /nfs/dbraw/zinc/28/16/76/893281676.db2.gz UKHIEUYBIQSJEC-MRVPVSSYSA-N 0 3 293.389 -1.363 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)CCOC ZINC001491377101 893269874 /nfs/dbraw/zinc/26/98/74/893269874.db2.gz UBRHPQKVTMAGOP-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NCCS(C)(=O)=O ZINC001491416277 893270916 /nfs/dbraw/zinc/27/09/16/893270916.db2.gz YAZVTUVOKBWWRL-RKDXNWHRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1)NCC(=O)NC1CC1 ZINC001491430151 893270996 /nfs/dbraw/zinc/27/09/96/893270996.db2.gz DWYVTRBYQYADGU-NSHDSACASA-N 0 3 298.387 -1.309 20 0 CAADHN C[C@@H](CNC(=O)CCn1ccnn1)NCC(N)=O ZINC001491436444 893271230 /nfs/dbraw/zinc/27/12/30/893271230.db2.gz YXADWWNUTORSMY-QMMMGPOBSA-N 0 3 254.294 -1.752 20 0 CAADHN C[C@@H](CNC(=O)c1cncnc1)N[C@@H]1CCC(=O)NC1=O ZINC001491437154 893272265 /nfs/dbraw/zinc/27/22/65/893272265.db2.gz HSCROKWVIKBGKY-WCBMZHEXSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@H](CNC(=O)c1nccnc1N)N[C@@H]1CCNC1=O ZINC001491417021 893272688 /nfs/dbraw/zinc/27/26/88/893272688.db2.gz CPEZXMZPKCPGLQ-HTQZYQBOSA-N 0 3 278.316 -1.345 20 0 CAADHN C[C@@H](CNC(=O)CCn1ccnn1)N[C@H]1CCN(C)C1=O ZINC001491433574 893272709 /nfs/dbraw/zinc/27/27/09/893272709.db2.gz ARLGMRWIDPSCKJ-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN Cc1c(C(=O)NC[C@H](C)N[C@H](C)C(N)=O)nnn1C ZINC001491420291 893273490 /nfs/dbraw/zinc/27/34/90/893273490.db2.gz HTDYDEXSNVIPPN-NKWVEPMBSA-N 0 3 268.321 -1.295 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCC(=O)NC1=O ZINC001491413608 893273644 /nfs/dbraw/zinc/27/36/44/893273644.db2.gz FLVZWRDSTYUTIQ-BDAKNGLRSA-N 0 3 298.343 -1.588 20 0 CAADHN C[C@H](CNC(=O)c1nccnc1N)N[C@H]1CCNC1=O ZINC001491417026 893273770 /nfs/dbraw/zinc/27/37/70/893273770.db2.gz CPEZXMZPKCPGLQ-SFYZADRCSA-N 0 3 278.316 -1.345 20 0 CAADHN C[C@@H](CNC(=O)c1nccnc1N)N[C@@H]1CCNC1=O ZINC001491417023 893274332 /nfs/dbraw/zinc/27/43/32/893274332.db2.gz CPEZXMZPKCPGLQ-JGVFFNPUSA-N 0 3 278.316 -1.345 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1)NCC(=O)NC1CC1 ZINC001491430149 893274623 /nfs/dbraw/zinc/27/46/23/893274623.db2.gz DWYVTRBYQYADGU-LLVKDONJSA-N 0 3 298.387 -1.309 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](C)NCC(N)=O ZINC001491450479 893275667 /nfs/dbraw/zinc/27/56/67/893275667.db2.gz ZOBIRCJYAIDIFE-ZETCQYMHSA-N 0 3 254.294 -1.509 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)N1CCC1 ZINC001491444714 893275936 /nfs/dbraw/zinc/27/59/36/893275936.db2.gz XFSSGDAQYALMLR-BDAKNGLRSA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)N1CCC1 ZINC001491444717 893275972 /nfs/dbraw/zinc/27/59/72/893275972.db2.gz XFSSGDAQYALMLR-RKDXNWHRSA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N[C@@H](C)C(N)=O ZINC001491453629 893276004 /nfs/dbraw/zinc/27/60/04/893276004.db2.gz BZSKGTSBBKIKTD-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)N[C@@H]1CCNC1=O ZINC001491450070 893278316 /nfs/dbraw/zinc/27/83/16/893278316.db2.gz XEVXCJVNHJTJOA-HTQZYQBOSA-N 0 3 266.305 -1.589 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)NCc1cncn1C ZINC001491473962 893278463 /nfs/dbraw/zinc/27/84/63/893278463.db2.gz PPNWJSAWMBHAKU-SECBINFHSA-N 0 3 282.348 -1.057 20 0 CAADHN C[C@@H](CNC(=O)CC(C)(C)O)NCC(=O)NC(N)=O ZINC001491441795 893278558 /nfs/dbraw/zinc/27/85/58/893278558.db2.gz BMRYVLCSIMVCDC-ZETCQYMHSA-N 0 3 274.321 -1.563 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)N1CCC1 ZINC001491444716 893278593 /nfs/dbraw/zinc/27/85/93/893278593.db2.gz XFSSGDAQYALMLR-IUCAKERBSA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)NCC(N)=O ZINC001491470178 893278713 /nfs/dbraw/zinc/27/87/13/893278713.db2.gz PVEAPLXGGOMGEH-ZETCQYMHSA-N 0 3 280.350 -2.543 20 0 CAADHN C[C@@H](CNC(=O)c1cccn2nnnc12)N[C@@H](C)C(N)=O ZINC001491468401 893278750 /nfs/dbraw/zinc/27/87/50/893278750.db2.gz GBNPPJKHCBXQBB-YUMQZZPRSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@H](CNC(=O)c1cccn2nnnc12)N[C@H](C)C(N)=O ZINC001491468397 893278786 /nfs/dbraw/zinc/27/87/86/893278786.db2.gz GBNPPJKHCBXQBB-HTQZYQBOSA-N 0 3 291.315 -1.294 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](C)N[C@H](C)C(N)=O)C1 ZINC001491442564 893278840 /nfs/dbraw/zinc/27/88/40/893278840.db2.gz SUUDQQFCCQZHSZ-JGVFFNPUSA-N 0 3 270.333 -1.567 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)N[C@@H]1CCC(=O)NC1=O ZINC001491448547 893279084 /nfs/dbraw/zinc/27/90/84/893279084.db2.gz QXGGYJWUHKGYBQ-HTQZYQBOSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cccn2nnnc12)C(N)=O ZINC001491468399 893279111 /nfs/dbraw/zinc/27/91/11/893279111.db2.gz GBNPPJKHCBXQBB-JGVFFNPUSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cnc2n[nH]nc2c1)C(N)=O ZINC001491483155 893279922 /nfs/dbraw/zinc/27/99/22/893279922.db2.gz ZTLPVHDTNCGWDK-NKWVEPMBSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](CNC(=O)CCCN1C(=O)CCC1=O)NCC(N)=O ZINC001491475313 893279984 /nfs/dbraw/zinc/27/99/84/893279984.db2.gz YBCRALVYLMXMFG-VIFPVBQESA-N 0 3 298.343 -1.505 20 0 CAADHN C[C@@H](CNC(=O)C(C)(C)C(N)=O)N[C@@H]1CCC(=O)NC1=O ZINC001491490866 893280242 /nfs/dbraw/zinc/28/02/42/893280242.db2.gz MQDCNCGYSVELCQ-JGVFFNPUSA-N 0 3 298.343 -1.603 20 0 CAADHN CCCN(C)CC(=O)NCCNC(=O)c1nnn(C)n1 ZINC001491494023 893280688 /nfs/dbraw/zinc/28/06/88/893280688.db2.gz VAKWPABXJMWXQY-UHFFFAOYSA-N 0 3 283.336 -1.602 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)NCC(=O)NC(C)C ZINC001491475185 893280741 /nfs/dbraw/zinc/28/07/41/893280741.db2.gz XICBAZAADHGSLL-VIFPVBQESA-N 0 3 287.364 -1.466 20 0 CAADHN C[C@H](CNC(=O)COCc1ccnn1C)N[C@@H](C)C(N)=O ZINC001491497632 893281295 /nfs/dbraw/zinc/28/12/95/893281295.db2.gz TWYYJDKBLNNPNU-ZJUUUORDSA-N 0 3 297.359 -1.095 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)NCC(=O)NC1CC1 ZINC001491477222 893281592 /nfs/dbraw/zinc/28/15/92/893281592.db2.gz GYUIKSWASRAXOG-ZJUUUORDSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001491475654 893281700 /nfs/dbraw/zinc/28/17/00/893281700.db2.gz ZPPUUDXJWIBVGD-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)[C@H]1CN(C)C(=O)N1)N(C)C ZINC001491475725 893281798 /nfs/dbraw/zinc/28/17/98/893281798.db2.gz OSPIBDVIVACYPR-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)NCC(=O)N1CCCC1 ZINC001491474325 893282034 /nfs/dbraw/zinc/28/20/34/893282034.db2.gz TVRZCCMFCAFRRB-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001491496170 893282770 /nfs/dbraw/zinc/28/27/70/893282770.db2.gz URVDPWPZTXPJLB-RNCFNFMXSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNC(=O)c1cnc2n[nH]nc2c1)N[C@@H](C)C(N)=O ZINC001491483167 893282811 /nfs/dbraw/zinc/28/28/11/893282811.db2.gz ZTLPVHDTNCGWDK-RQJHMYQMSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)NCC(=O)NC1CC1 ZINC001491477220 893282862 /nfs/dbraw/zinc/28/28/62/893282862.db2.gz GYUIKSWASRAXOG-UWVGGRQHSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)NCC(=O)NC1CC1 ZINC001491477219 893283204 /nfs/dbraw/zinc/28/32/04/893283204.db2.gz GYUIKSWASRAXOG-NXEZZACHSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)NCC(=O)N(C)C ZINC001491505683 893284721 /nfs/dbraw/zinc/28/47/21/893284721.db2.gz YFZKYYUDQFLATL-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1CCCC(=O)N1)NCC(N)=O ZINC001491517980 893284843 /nfs/dbraw/zinc/28/48/43/893284843.db2.gz BNKZMMMMPSLAFB-IUCAKERBSA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@@H](CNC(=O)CCCCNC(N)=O)N[C@@H]1CCNC1=O ZINC001491515857 893285285 /nfs/dbraw/zinc/28/52/85/893285285.db2.gz PSJOIYLHAIAHKK-VHSXEESVSA-N 0 3 299.375 -1.192 20 0 CAADHN C[C@H](CNC(=O)CCCCNC(N)=O)N[C@@H]1CCNC1=O ZINC001491515855 893285363 /nfs/dbraw/zinc/28/53/63/893285363.db2.gz PSJOIYLHAIAHKK-NXEZZACHSA-N 0 3 299.375 -1.192 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N[C@H]1CCNC1=O ZINC001491511258 893285604 /nfs/dbraw/zinc/28/56/04/893285604.db2.gz ZSCSJBXBAVONAC-KOLCDFICSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N[C@@H]1CCNC1=O ZINC001491511257 893285700 /nfs/dbraw/zinc/28/57/00/893285700.db2.gz ZSCSJBXBAVONAC-GXSJLCMTSA-N 0 3 292.339 -1.018 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NC[C@@H](C)NCC(N)=O ZINC001491503545 893286369 /nfs/dbraw/zinc/28/63/69/893286369.db2.gz BBMVTEYIJDHEGM-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1CCCC(=O)N1)NCC(N)=O ZINC001491517967 893286947 /nfs/dbraw/zinc/28/69/47/893286947.db2.gz BNKZMMMMPSLAFB-BDAKNGLRSA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)NCC(=O)N(C)C ZINC001491505678 893287520 /nfs/dbraw/zinc/28/75/20/893287520.db2.gz YFZKYYUDQFLATL-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H]1CC[N@H+](CC(=O)NCCNC(=O)Cc2nnc[n-]2)C1 ZINC001491546171 893288477 /nfs/dbraw/zinc/28/84/77/893288477.db2.gz ZJWQAVFTLUQRGZ-JTQLQIEISA-N 0 3 294.359 -1.079 20 0 CAADHN C[C@H]1CC[N@@H+](CC(=O)NCCNC(=O)Cc2nnc[n-]2)C1 ZINC001491546171 893288494 /nfs/dbraw/zinc/28/84/94/893288494.db2.gz ZJWQAVFTLUQRGZ-JTQLQIEISA-N 0 3 294.359 -1.079 20 0 CAADHN CC(C)[C@H](C(=O)NCCNC(=O)C(N)=O)N(C)C ZINC001491536448 893288520 /nfs/dbraw/zinc/28/85/20/893288520.db2.gz ZEWHSVKILBDUGO-MRVPVSSYSA-N 0 3 258.322 -1.710 20 0 CAADHN C[C@@H](CNC(=O)CCn1ccnc1)NCC(=O)NC(N)=O ZINC001491543665 893288694 /nfs/dbraw/zinc/28/86/94/893288694.db2.gz SWXAILFIEMFKFM-VIFPVBQESA-N 0 3 296.331 -1.438 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)c1nnn(C)n1)C(N)=O ZINC001491552557 893288936 /nfs/dbraw/zinc/28/89/36/893288936.db2.gz BQNZFSAOTUBEBA-RNFRBKRXSA-N 0 3 269.309 -1.818 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001491549022 893289021 /nfs/dbraw/zinc/28/90/21/893289021.db2.gz UPLXHBPJBZFQGL-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001491545639 893290673 /nfs/dbraw/zinc/29/06/73/893290673.db2.gz DGXSHDLKEAJUOG-ZJUUUORDSA-N 0 3 299.375 -2.353 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001491545833 893290690 /nfs/dbraw/zinc/29/06/90/893290690.db2.gz FGKIPZNFMNVITB-BDAKNGLRSA-N 0 3 272.349 -1.320 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)c1nnn(C)n1)C(N)=O ZINC001491552559 893290778 /nfs/dbraw/zinc/29/07/78/893290778.db2.gz BQNZFSAOTUBEBA-RQJHMYQMSA-N 0 3 269.309 -1.818 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001491556504 893290974 /nfs/dbraw/zinc/29/09/74/893290974.db2.gz XSIPRXNWSHKXLH-MRVPVSSYSA-N 0 3 283.336 -1.604 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)c1nnn(C)n1)C(N)=O ZINC001491552556 893291444 /nfs/dbraw/zinc/29/14/44/893291444.db2.gz BQNZFSAOTUBEBA-NKWVEPMBSA-N 0 3 269.309 -1.818 20 0 CAADHN C[C@H](CNC(=O)C1(C(N)=O)CC1)N[C@H]1CCCNC1=O ZINC001491569017 893292208 /nfs/dbraw/zinc/29/22/08/893292208.db2.gz VUURTTNKIGSZMD-BDAKNGLRSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@H](CNC(=O)[C@]1(C)CCNC1=O)NCC(=O)NC1CC1 ZINC001491574528 893292613 /nfs/dbraw/zinc/29/26/13/893292613.db2.gz HUZFVRBPSCLMBE-YMTOWFKASA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)NC(N)=O ZINC001491559645 893292897 /nfs/dbraw/zinc/29/28/97/893292897.db2.gz QGXNOLTXKHAESS-SQXHDICFSA-N 0 3 298.343 -1.444 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)NCC(=O)N1CCC1 ZINC001491557231 893293558 /nfs/dbraw/zinc/29/35/58/893293558.db2.gz IRMAGSZJPYQKSX-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)N[C@@H](C)C(N)=O ZINC001491568713 893293611 /nfs/dbraw/zinc/29/36/11/893293611.db2.gz MGCDCLNPBPNDAJ-BQBZGAKWSA-N 0 3 269.305 -1.293 20 0 CAADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N(C)C1CC1 ZINC001491580039 893294412 /nfs/dbraw/zinc/29/44/12/893294412.db2.gz PSAGGWFHRJFEDA-IEBDPFPHSA-N 0 3 296.371 -1.177 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001491579621 893294470 /nfs/dbraw/zinc/29/44/70/893294470.db2.gz OJKUBLHHGFMHGA-UFBFGSQYSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](CNC(=O)C1(C(N)=O)CC1)N[C@@H]1CCCNC1=O ZINC001491569029 893294540 /nfs/dbraw/zinc/29/45/40/893294540.db2.gz VUURTTNKIGSZMD-RKDXNWHRSA-N 0 3 282.344 -1.375 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCN(C)C1=O ZINC001491558913 893295253 /nfs/dbraw/zinc/29/52/53/893295253.db2.gz NMMGLBJDNKIPCV-BDAKNGLRSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cc1c[nH]cn1)C(N)=O ZINC001491590120 893297665 /nfs/dbraw/zinc/29/76/65/893297665.db2.gz MGSILTYUSVBJMQ-JGVFFNPUSA-N 0 3 253.306 -1.080 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCn1cnnn1 ZINC001491617020 893298285 /nfs/dbraw/zinc/29/82/85/893298285.db2.gz CCNTWTNTBQBXEK-MRVPVSSYSA-N 0 3 269.309 -2.097 20 0 CAADHN C[C@H](CNC(=O)c1cccnn1)N[C@@H]1CCC(=O)NC1=O ZINC001491620107 893298631 /nfs/dbraw/zinc/29/86/31/893298631.db2.gz ZUMPFNBBGVADDH-RKDXNWHRSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@@H](CNC(=O)CCn1cnnn1)N[C@H]1CCNC1=O ZINC001491617835 893299475 /nfs/dbraw/zinc/29/94/75/893299475.db2.gz KNZWJEHZPLQPAU-IUCAKERBSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)N[C@@H](C)C(N)=O ZINC001491580973 893299848 /nfs/dbraw/zinc/29/98/48/893299848.db2.gz YITAXEKZDINARA-IUCAKERBSA-N 0 3 282.348 -1.284 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NC[C@@H](C)NCC(=O)NC ZINC001491587748 893299906 /nfs/dbraw/zinc/29/99/06/893299906.db2.gz LYDIJUIIGDINSU-SCZZXKLOSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@H](CNC(=O)CCn1cnnn1)N[C@@H]1CCNC1=O ZINC001491617836 893299967 /nfs/dbraw/zinc/29/99/67/893299967.db2.gz KNZWJEHZPLQPAU-RKDXNWHRSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)NCC(=O)N1CCCC1 ZINC001491664793 893301479 /nfs/dbraw/zinc/30/14/79/893301479.db2.gz NDXUYKFLNYQCNV-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN C[C@H](CNC(=O)Cc1cncn1C)NCC(=O)NC(N)=O ZINC001491636260 893301223 /nfs/dbraw/zinc/30/12/23/893301223.db2.gz DKZPHWXAFQYYIS-MRVPVSSYSA-N 0 3 296.331 -1.748 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001491655910 893301859 /nfs/dbraw/zinc/30/18/59/893301859.db2.gz BYJAUBMAYWVNQI-MRVPVSSYSA-N 0 3 298.347 -2.269 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+]CC(=O)N(C)C ZINC001491634670 893302025 /nfs/dbraw/zinc/30/20/25/893302025.db2.gz ICUWKXDEGZBNCK-QMMMGPOBSA-N 0 3 268.321 -1.470 20 0 CAADHN CCCn1cc(C(=O)NC[C@H](C)NCC(N)=O)nn1 ZINC001491623876 893302165 /nfs/dbraw/zinc/30/21/65/893302165.db2.gz BBCITWNVIRBJLY-QMMMGPOBSA-N 0 3 268.321 -1.119 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001491667574 893302511 /nfs/dbraw/zinc/30/25/11/893302511.db2.gz PLTYZQKJCHDKTM-BDAKNGLRSA-N 0 3 298.343 -1.636 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccccc1=O)NCC(N)=O ZINC001491666632 893302650 /nfs/dbraw/zinc/30/26/50/893302650.db2.gz DBTGDSMCGOQPFW-VIFPVBQESA-N 0 3 266.301 -1.572 20 0 CAADHN CC(=O)N[C@@H](C(=O)NC[C@H](C)NCC(N)=O)C(C)C ZINC001491645996 893303108 /nfs/dbraw/zinc/30/31/08/893303108.db2.gz NKQGOBRJGLFAQX-GZMMTYOYSA-N 0 3 272.349 -1.273 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)CCNC(N)=O ZINC001491663920 893304533 /nfs/dbraw/zinc/30/45/33/893304533.db2.gz FTXVEGSQIHDJRE-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CC(N)=O)C1)C(=O)NC1CC1 ZINC001491718563 893306039 /nfs/dbraw/zinc/30/60/39/893306039.db2.gz KRFWGJNNEPZGBP-WPRPVWTQSA-N 0 3 282.344 -1.281 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1[nH]cnc1C ZINC001491696093 893306162 /nfs/dbraw/zinc/30/61/62/893306162.db2.gz CLTHPTGFSORFAP-SSDOTTSWSA-N 0 3 296.331 -1.118 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](C)N[C@H](C)C(=O)NC ZINC001491683281 893306280 /nfs/dbraw/zinc/30/62/80/893306280.db2.gz RJLPXLOWUJOELT-DTWKUNHWSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)NCCF ZINC001491682733 893307505 /nfs/dbraw/zinc/30/75/05/893307505.db2.gz OUUGQPIXGUVXPP-ZETCQYMHSA-N 0 3 272.284 -1.559 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001491673835 893307653 /nfs/dbraw/zinc/30/76/53/893307653.db2.gz PKMYMWBTQQLELP-SSDOTTSWSA-N 0 3 297.315 -2.060 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC ZINC001491683279 893307737 /nfs/dbraw/zinc/30/77/37/893307737.db2.gz RJLPXLOWUJOELT-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN CC(C)N(C)CC(=O)NCCCNC(=O)c1nnn(C)n1 ZINC001491731537 893308449 /nfs/dbraw/zinc/30/84/49/893308449.db2.gz PJYSBLNIENKCJR-UHFFFAOYSA-N 0 3 297.363 -1.214 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC ZINC001491683283 893308927 /nfs/dbraw/zinc/30/89/27/893308927.db2.gz RJLPXLOWUJOELT-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001491743751 893309580 /nfs/dbraw/zinc/30/95/80/893309580.db2.gz PANBKTBPXNDZJZ-ZETCQYMHSA-N 0 3 267.293 -2.240 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCCNC(=O)C(N)=O ZINC001491760605 893310944 /nfs/dbraw/zinc/31/09/44/893310944.db2.gz OQVSQXPDFQXUPM-UHFFFAOYSA-N 0 3 267.289 -1.632 20 0 CAADHN CCN(CC)CC(=O)N1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001491964960 893319566 /nfs/dbraw/zinc/31/95/66/893319566.db2.gz XHZGJLSXKQVATI-JTQLQIEISA-N 0 3 284.360 -1.127 20 0 CAADHN C[C@H](CCNC(=O)CCc1nnc[n-]1)[NH2+]CC(N)=O ZINC001492000540 893320778 /nfs/dbraw/zinc/32/07/78/893320778.db2.gz GTZUVYKHUSJYTD-MRVPVSSYSA-N 0 3 268.321 -1.293 20 0 CAADHN C[C@H](CCNC(=O)Cc1nnc[n-]1)[NH2+][C@@H]1CCNC1=O ZINC001492109684 893323987 /nfs/dbraw/zinc/32/39/87/893323987.db2.gz WXXHDGURDYWENT-RKDXNWHRSA-N 0 3 280.332 -1.280 20 0 CAADHN NC(=O)CN1CCC[C@H]1CCCNC(=O)[C@H]1CCNC1=O ZINC001492164215 893325179 /nfs/dbraw/zinc/32/51/79/893325179.db2.gz TWITUWPVZLLFHP-GHMZBOCLSA-N 0 3 296.371 -1.031 20 0 CAADHN CN(CCNC(=O)CC(N)=O)C[C@@H](O)Cn1cccn1 ZINC001492218962 893331075 /nfs/dbraw/zinc/33/10/75/893331075.db2.gz LPWXMFLISCGRRS-SNVBAGLBSA-N 0 3 283.332 -1.833 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)C1(C(N)=O)CC1 ZINC001492398053 893345489 /nfs/dbraw/zinc/34/54/89/893345489.db2.gz GQFMMXBKMCFAAM-SECBINFHSA-N 0 3 273.333 -1.693 20 0 CAADHN CN(CCNC(=O)c1nnn(C)n1)CCc1ccnn1C ZINC001492375744 893349967 /nfs/dbraw/zinc/34/99/67/893349967.db2.gz JBMWWTBJUFKQFI-UHFFFAOYSA-N 0 3 292.347 -1.152 20 0 CAADHN CN(CCCO)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001492414779 893352767 /nfs/dbraw/zinc/35/27/67/893352767.db2.gz XSNKDFOGAACYIF-VHSXEESVSA-N 0 3 273.333 -1.550 20 0 CAADHN CN(CCCF)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001492435619 893356195 /nfs/dbraw/zinc/35/61/95/893356195.db2.gz VFBAUWBKRORZJE-QMMMGPOBSA-N 0 3 274.296 -1.008 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001492878749 893361102 /nfs/dbraw/zinc/36/11/02/893361102.db2.gz MNHNKKCFLLYAGN-SECBINFHSA-N 0 3 298.347 -1.540 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001492859193 893362741 /nfs/dbraw/zinc/36/27/41/893362741.db2.gz CSUQUJSPMKRRJK-IUCAKERBSA-N 0 3 279.362 -1.893 20 0 CAADHN CN(CCCO)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001492853760 893364126 /nfs/dbraw/zinc/36/41/26/893364126.db2.gz LRFNIMUEHARLGU-UHFFFAOYSA-N 0 3 284.316 -1.470 20 0 CAADHN CCN(CCNC(=O)Cc1cnc[nH]1)CC(=O)NC(N)=O ZINC001493024689 893369682 /nfs/dbraw/zinc/36/96/82/893369682.db2.gz HFYJRFLFDDSSER-UHFFFAOYSA-N 0 3 296.331 -1.415 20 0 CAADHN CCN(CCNC(=O)Cc1n[nH]c(C)n1)[C@@H](C)C(N)=O ZINC001492950424 893370781 /nfs/dbraw/zinc/37/07/81/893370781.db2.gz REHMFFSWRJBNAE-QMMMGPOBSA-N 0 3 282.348 -1.032 20 0 CAADHN CCN(CCNC(=O)c1cn[nH]n1)[C@@H]1CCNC1=O ZINC001492982236 893371437 /nfs/dbraw/zinc/37/14/37/893371437.db2.gz MKNCRNRQJXYLGN-SECBINFHSA-N 0 3 266.305 -1.255 20 0 CAADHN CCN(CCNC(=O)c1ncn[nH]1)[C@H](C)C(=O)NC ZINC001493033034 893373605 /nfs/dbraw/zinc/37/36/05/893373605.db2.gz JPZLTQWICKDHSE-MRVPVSSYSA-N 0 3 268.321 -1.009 20 0 CAADHN CCN(CCNC(=O)c1nc[nH]n1)[C@H](C)C(=O)NC ZINC001493033034 893373622 /nfs/dbraw/zinc/37/36/22/893373622.db2.gz JPZLTQWICKDHSE-MRVPVSSYSA-N 0 3 268.321 -1.009 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H]1CCCN1CCO ZINC001493105046 893372940 /nfs/dbraw/zinc/37/29/40/893372940.db2.gz JVLLZKZJPWLWHD-SECBINFHSA-N 0 3 254.294 -1.754 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H]1CCCN1CCO ZINC001493075972 893373437 /nfs/dbraw/zinc/37/34/37/893373437.db2.gz UQXNVLHLZOKHFJ-SECBINFHSA-N 0 3 254.294 -1.754 20 0 CAADHN CCN(CCNC(=O)CN1C(=O)CNC1=O)CCOC ZINC001493055259 893376436 /nfs/dbraw/zinc/37/64/36/893376436.db2.gz CNLMVRMJTKQSPD-UHFFFAOYSA-N 0 3 286.332 -1.377 20 0 CAADHN CCN(CCO)CCNC(=O)CN1C(=O)CNC1=O ZINC001493056099 893377857 /nfs/dbraw/zinc/37/78/57/893377857.db2.gz QLOCHVVPWIULHG-UHFFFAOYSA-N 0 3 272.305 -2.031 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H]1CCCN1CCO ZINC001493105048 893378922 /nfs/dbraw/zinc/37/89/22/893378922.db2.gz JVLLZKZJPWLWHD-VIFPVBQESA-N 0 3 254.294 -1.754 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NC[C@@H]1CCCN1CCO ZINC001493168242 893380898 /nfs/dbraw/zinc/38/08/98/893380898.db2.gz QZGXKEDGLLURIZ-UWVGGRQHSA-N 0 3 283.328 -1.388 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)CNC(=O)NC)C1 ZINC001493207131 893381996 /nfs/dbraw/zinc/38/19/96/893381996.db2.gz METXXGUYEDXZSY-NXEZZACHSA-N 0 3 299.375 -1.383 20 0 CAADHN CC(C)NC(=O)NCCN1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001493228271 893383034 /nfs/dbraw/zinc/38/30/34/893383034.db2.gz BCCIAGSGOXPENT-SNVBAGLBSA-N 0 3 299.375 -1.383 20 0 CAADHN CN1CCC[C@@H](N2CC[C@H](CNC(=O)C(N)=O)C2)C1=O ZINC001493228211 893384481 /nfs/dbraw/zinc/38/44/81/893384481.db2.gz AMHWGXNIOOIRKC-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NC[C@H]1CCCN1CCO ZINC001493168241 893384916 /nfs/dbraw/zinc/38/49/16/893384916.db2.gz QZGXKEDGLLURIZ-NXEZZACHSA-N 0 3 283.328 -1.388 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)CNC(=O)NC)C1 ZINC001493207132 893385251 /nfs/dbraw/zinc/38/52/51/893385251.db2.gz METXXGUYEDXZSY-UWVGGRQHSA-N 0 3 299.375 -1.383 20 0 CAADHN CN1CC[C@@H](N2CC[C@@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001493188186 893385362 /nfs/dbraw/zinc/38/53/62/893385362.db2.gz CYABUWAVTNGARJ-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NC[C@H]1CCCN1CCO ZINC001493168243 893385420 /nfs/dbraw/zinc/38/54/20/893385420.db2.gz QZGXKEDGLLURIZ-VHSXEESVSA-N 0 3 283.328 -1.388 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001493247064 893387607 /nfs/dbraw/zinc/38/76/07/893387607.db2.gz FHTHMLCZKWIPNV-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN COCCN(CCNC(=O)Cn1ncnn1)C1CC1 ZINC001493372857 893392887 /nfs/dbraw/zinc/39/28/87/893392887.db2.gz RVBZTGYYQYQKJI-UHFFFAOYSA-N 0 3 268.321 -1.100 20 0 CAADHN O=C(CN1CCOCC1)NCCN(CCO)C1CC1 ZINC001493363448 893393162 /nfs/dbraw/zinc/39/31/62/893393162.db2.gz CHWZUAGYVLSOHC-UHFFFAOYSA-N 0 3 271.361 -1.109 20 0 CAADHN COCCN(CCNC(=O)C[C@@H]1NC(=O)NC1=O)C1CC1 ZINC001493378263 893396276 /nfs/dbraw/zinc/39/62/76/893396276.db2.gz WDIRCJFHBQTRRZ-JTQLQIEISA-N 0 3 298.343 -1.189 20 0 CAADHN Cn1cc(C(=O)NCCN(CCO)C2CC2)n(C)c1=O ZINC001493448682 893398569 /nfs/dbraw/zinc/39/85/69/893398569.db2.gz FCUDUJRNBINCDB-UHFFFAOYSA-N 0 3 282.344 -1.090 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)CC(N)=O ZINC001493503460 893399210 /nfs/dbraw/zinc/39/92/10/893399210.db2.gz QVETWXVQMDDMKR-UHFFFAOYSA-N 0 3 256.306 -1.812 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C1=COCCO1 ZINC001493468548 893399581 /nfs/dbraw/zinc/39/95/81/893399581.db2.gz QOZUMRBXOILAAI-VIFPVBQESA-N 0 3 297.311 -1.272 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCCO1)C(=O)NC(N)=O ZINC001493472336 893399843 /nfs/dbraw/zinc/39/98/43/893399843.db2.gz KYVSHQYDKWQKOJ-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)C(=O)C(C)(C)C ZINC001493501452 893400677 /nfs/dbraw/zinc/40/06/77/893400677.db2.gz ZBIMTEGWKOIXEV-UHFFFAOYSA-N 0 3 286.332 -1.156 20 0 CAADHN Cc1c(C(=O)N(C)CCN[C@H]2CCNC2=O)nnn1C ZINC001493507321 893401512 /nfs/dbraw/zinc/40/15/12/893401512.db2.gz GKVGFMGACRQDGG-VIFPVBQESA-N 0 3 280.332 -1.326 20 0 CAADHN CN(CCNCc1cncn1C)C(=O)Cn1cnnn1 ZINC001493472631 893401397 /nfs/dbraw/zinc/40/13/97/893401397.db2.gz IGMCTNXFZYSQGX-UHFFFAOYSA-N 0 3 278.320 -1.345 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CCC(=O)N1 ZINC001493498322 893401940 /nfs/dbraw/zinc/40/19/40/893401940.db2.gz PSKVEWYRLAHGJV-SNVBAGLBSA-N 0 3 282.344 -1.408 20 0 CAADHN CN(CCNCC(=O)N1CCCCC1)C(=O)CC(N)=O ZINC001493502580 893402144 /nfs/dbraw/zinc/40/21/44/893402144.db2.gz FQWRVKCKXILOHH-UHFFFAOYSA-N 0 3 284.360 -1.078 20 0 CAADHN CCO[C@@H](C)C(=O)N(C)CCNCC(=O)NC(=O)NC ZINC001493485137 893402383 /nfs/dbraw/zinc/40/23/83/893402383.db2.gz VVDVMPDQSMWSCM-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCN[C@@H]2CCNC2=O)C1 ZINC001493528585 893403564 /nfs/dbraw/zinc/40/35/64/893403564.db2.gz XERJKPZYLOMFBV-LLVKDONJSA-N 0 3 282.344 -1.599 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1cnn(C)c1N ZINC001493524687 893403599 /nfs/dbraw/zinc/40/35/99/893403599.db2.gz ZMCDOJBFAXWMQA-QMMMGPOBSA-N 0 3 282.348 -1.202 20 0 CAADHN CCNC(=O)CC(=O)N(C)CCNCC(=O)NC1CC1 ZINC001493524253 893403616 /nfs/dbraw/zinc/40/36/16/893403616.db2.gz WHLDSFFXWFHQBY-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCN[C@H]2CCNC2=O)C1 ZINC001493528597 893403742 /nfs/dbraw/zinc/40/37/42/893403742.db2.gz XERJKPZYLOMFBV-NSHDSACASA-N 0 3 282.344 -1.599 20 0 CAADHN CCNC(=O)CC(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001493521872 893403773 /nfs/dbraw/zinc/40/37/73/893403773.db2.gz DXGGEHOPKBDKLK-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001493516445 893403997 /nfs/dbraw/zinc/40/39/97/893403997.db2.gz MVZGJDNLZMXWJS-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001493550899 893404092 /nfs/dbraw/zinc/40/40/92/893404092.db2.gz QWEWCQNZRCZBFO-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN CO[C@@H]1COCC[C@@H]1CC(=O)N(C)CCNCC(N)=O ZINC001493576387 893404195 /nfs/dbraw/zinc/40/41/95/893404195.db2.gz BLKJMWJGSQUQDD-GHMZBOCLSA-N 0 3 287.360 -1.039 20 0 CAADHN CO[C@H]1COCC[C@@H]1CC(=O)N(C)CCNCC(N)=O ZINC001493576389 893404237 /nfs/dbraw/zinc/40/42/37/893404237.db2.gz BLKJMWJGSQUQDD-MNOVXSKESA-N 0 3 287.360 -1.039 20 0 CAADHN COc1cc(C(=O)N(C)CCNCC(=O)NC(N)=O)on1 ZINC001493522408 893404330 /nfs/dbraw/zinc/40/43/30/893404330.db2.gz JTGJHZHSYOEYOZ-UHFFFAOYSA-N 0 3 299.287 -1.460 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001493534019 893404414 /nfs/dbraw/zinc/40/44/14/893404414.db2.gz LZPKYGBKYJYTOD-MRVPVSSYSA-N 0 3 272.305 -1.769 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001493517007 893405211 /nfs/dbraw/zinc/40/52/11/893405211.db2.gz ZVBAXXPGDYFLNO-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1CC(=O)N(C)C1)C(N)=O ZINC001493569946 893404800 /nfs/dbraw/zinc/40/48/00/893404800.db2.gz LGXLMOZLJMWPPN-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccc2n[nH]nc2n1)C(N)=O ZINC001493572024 893405270 /nfs/dbraw/zinc/40/52/70/893405270.db2.gz PCOCCVJDJCVVNL-SSDOTTSWSA-N 0 3 291.315 -1.112 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccc2n[nH]nc2n1)C(N)=O ZINC001493572028 893405283 /nfs/dbraw/zinc/40/52/83/893405283.db2.gz PCOCCVJDJCVVNL-ZETCQYMHSA-N 0 3 291.315 -1.112 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001493569489 893405365 /nfs/dbraw/zinc/40/53/65/893405365.db2.gz JZIHRBJDLUPZOG-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001493545007 893405409 /nfs/dbraw/zinc/40/54/09/893405409.db2.gz KADTXUVRVAEPDS-QMMMGPOBSA-N 0 3 282.348 -1.162 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001493534020 893405621 /nfs/dbraw/zinc/40/56/21/893405621.db2.gz LZPKYGBKYJYTOD-QMMMGPOBSA-N 0 3 272.305 -1.769 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001493590709 893406981 /nfs/dbraw/zinc/40/69/81/893406981.db2.gz OLNDLAVSMOCNKD-SNVBAGLBSA-N 0 3 284.360 -1.177 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cc(=O)n(C)cn1 ZINC001493584777 893407034 /nfs/dbraw/zinc/40/70/34/893407034.db2.gz OIFVMDUDVPYBHO-UHFFFAOYSA-N 0 3 267.289 -2.073 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)Cn1ncn(C)c1=O ZINC001493604944 893407135 /nfs/dbraw/zinc/40/71/35/893407135.db2.gz HSNRQLRZDUHEAT-UHFFFAOYSA-N 0 3 298.347 -2.234 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001493654992 893407351 /nfs/dbraw/zinc/40/73/51/893407351.db2.gz RIHFNEFTGNZVRZ-GHMZBOCLSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCCC(=O)N1)C(N)=O ZINC001493589854 893407565 /nfs/dbraw/zinc/40/75/65/893407565.db2.gz UORVUQUYMKUTQG-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001493640301 893408083 /nfs/dbraw/zinc/40/80/83/893408083.db2.gz OQDCYBBTBKDGNV-GMXVVIOVSA-N 0 3 299.371 -1.168 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CCNC/C=C/Cl ZINC001493642194 893408211 /nfs/dbraw/zinc/40/82/11/893408211.db2.gz PZZVJYMIGINODH-ONEGZZNKSA-N 0 3 298.796 -1.159 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@H]1CCNC1=O ZINC001493654710 893408577 /nfs/dbraw/zinc/40/85/77/893408577.db2.gz JNUYCGZOFRDJME-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001493617785 893408855 /nfs/dbraw/zinc/40/88/55/893408855.db2.gz CWOUHVWUQQHHTI-UHFFFAOYSA-N 0 3 297.315 -2.257 20 0 CAADHN COc1c[nH]c(C(=O)N(C)CCN[C@@H](C)C(N)=O)cc1=O ZINC001493629933 893408896 /nfs/dbraw/zinc/40/88/96/893408896.db2.gz GFKBBSHTGGSMRW-QMMMGPOBSA-N 0 3 296.327 -1.081 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cn2c(n1)COCC2 ZINC001493599104 893408961 /nfs/dbraw/zinc/40/89/61/893408961.db2.gz XKVAAHGFTVIBDN-UHFFFAOYSA-N 0 3 295.343 -1.179 20 0 CAADHN CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCNC1=O ZINC001493654709 893409004 /nfs/dbraw/zinc/40/90/04/893409004.db2.gz JNUYCGZOFRDJME-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001493655116 893409085 /nfs/dbraw/zinc/40/90/85/893409085.db2.gz UJRIPSMJKWQFNY-RKDXNWHRSA-N 0 3 298.343 -1.649 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CCn1ncn(C)c1=O ZINC001493640967 893409125 /nfs/dbraw/zinc/40/91/25/893409125.db2.gz MRRGBLMGWOQHOA-UHFFFAOYSA-N 0 3 298.347 -2.234 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cn[nH]n1 ZINC001493613260 893409210 /nfs/dbraw/zinc/40/92/10/893409210.db2.gz JKKDOQHDPFEBHT-ZETCQYMHSA-N 0 3 252.278 -1.645 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001493655113 893409217 /nfs/dbraw/zinc/40/92/17/893409217.db2.gz UJRIPSMJKWQFNY-BDAKNGLRSA-N 0 3 298.343 -1.649 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001493656439 893410884 /nfs/dbraw/zinc/41/08/84/893410884.db2.gz KMDGTKOTJBFDQH-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001493655838 893410911 /nfs/dbraw/zinc/41/09/11/893410911.db2.gz CORQKFTZUBFHOB-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001493673363 893410929 /nfs/dbraw/zinc/41/09/29/893410929.db2.gz JBNGCGUHIACAQQ-SFYZADRCSA-N 0 3 269.305 -2.396 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001493673696 893411402 /nfs/dbraw/zinc/41/14/02/893411402.db2.gz KYEFRXMOGBACBN-HTQZYQBOSA-N 0 3 271.321 -2.150 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001493656440 893411262 /nfs/dbraw/zinc/41/12/62/893411262.db2.gz KMDGTKOTJBFDQH-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)c1nnn(C)n1 ZINC001493655931 893411453 /nfs/dbraw/zinc/41/14/53/893411453.db2.gz CUOTWJVJQDYZHA-QMMMGPOBSA-N 0 3 281.320 -1.898 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001493677503 893411642 /nfs/dbraw/zinc/41/16/42/893411642.db2.gz SJHVXZXMQYKNGE-QMMMGPOBSA-N 0 3 281.316 -1.434 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)C1(C(N)=O)CC1 ZINC001493676975 893412157 /nfs/dbraw/zinc/41/21/57/893412157.db2.gz ABOWSFDUZPLYOT-VIFPVBQESA-N 0 3 282.344 -1.469 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001493673360 893412370 /nfs/dbraw/zinc/41/23/70/893412370.db2.gz JBNGCGUHIACAQQ-JGVFFNPUSA-N 0 3 269.305 -2.396 20 0 CAADHN CN(CCNCc1ccnn1C)C(=O)[C@@H]1CNC(=O)N1 ZINC001493673414 893412400 /nfs/dbraw/zinc/41/24/00/893412400.db2.gz JMNBGZBBFCEPOL-JTQLQIEISA-N 0 3 280.332 -1.351 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001493761501 893413418 /nfs/dbraw/zinc/41/34/18/893413418.db2.gz MCDCFKQRDRGEBM-MRVPVSSYSA-N 0 3 299.331 -2.198 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001493717907 893413556 /nfs/dbraw/zinc/41/35/56/893413556.db2.gz QFRPAWNYCIXLFY-UHFFFAOYSA-N 0 3 299.287 -3.060 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001493728649 893413977 /nfs/dbraw/zinc/41/39/77/893413977.db2.gz SOYNHNVJRCUQCF-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001493695132 893414115 /nfs/dbraw/zinc/41/41/15/893414115.db2.gz DOZDYIMSVXSXPU-ZJUUUORDSA-N 0 3 284.360 -1.318 20 0 CAADHN CCn1cc(C(=O)N(C)CCN[C@@H](C)C(N)=O)nn1 ZINC001493753104 893414304 /nfs/dbraw/zinc/41/43/04/893414304.db2.gz WHFRGYSAEPOMHG-QMMMGPOBSA-N 0 3 268.321 -1.167 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H](C)NS(C)(=O)=O)C(N)=O ZINC001493706914 893414320 /nfs/dbraw/zinc/41/43/20/893414320.db2.gz QBBODHSSZCYQEM-SFYZADRCSA-N 0 3 294.377 -2.154 20 0 CAADHN CC(C)NC(=O)CNCCN(C)C(=O)c1nc[nH]n1 ZINC001493735652 893414501 /nfs/dbraw/zinc/41/45/01/893414501.db2.gz RKAQHOJXKAIWMI-UHFFFAOYSA-N 0 3 268.321 -1.009 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001493728646 893414652 /nfs/dbraw/zinc/41/46/52/893414652.db2.gz SOYNHNVJRCUQCF-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CCn1cc(C(=O)N(C)CCN[C@H](C)C(N)=O)nn1 ZINC001493753103 893414930 /nfs/dbraw/zinc/41/49/30/893414930.db2.gz WHFRGYSAEPOMHG-MRVPVSSYSA-N 0 3 268.321 -1.167 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)C(=O)NCC1CC1 ZINC001493753493 893414997 /nfs/dbraw/zinc/41/49/97/893414997.db2.gz ZGSVBLNVLHWHQR-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@]1(C)CCNC1=O ZINC001493694303 893415061 /nfs/dbraw/zinc/41/50/61/893415061.db2.gz DCACETVVOKJMQK-CYBMUJFWSA-N 0 3 284.360 -1.303 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCN[C@H]2CCCNC2=O)CC1 ZINC001493733442 893415685 /nfs/dbraw/zinc/41/56/85/893415685.db2.gz WJROXBMGLZDOPF-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H](CC(C)C)C(N)=O ZINC001493817744 893417543 /nfs/dbraw/zinc/41/75/43/893417543.db2.gz XYIHBZALLWTUQZ-SNVBAGLBSA-N 0 3 286.376 -1.072 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001493840147 893418200 /nfs/dbraw/zinc/41/82/00/893418200.db2.gz NISVNYHXMWCTPX-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@H](CCNC(=O)Cn2cncn2)C1 ZINC001494079686 893421022 /nfs/dbraw/zinc/42/10/22/893421022.db2.gz OJIBGDGDPGXBIZ-WDEREUQCSA-N 0 3 294.359 -1.020 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)Cn2cncn2)C1 ZINC001494079682 893421647 /nfs/dbraw/zinc/42/16/47/893421647.db2.gz OJIBGDGDPGXBIZ-MNOVXSKESA-N 0 3 294.359 -1.020 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001494062293 893422549 /nfs/dbraw/zinc/42/25/49/893422549.db2.gz WQRAKGLNTFJVJZ-KYZUINATSA-N 0 3 270.333 -1.425 20 0 CAADHN CC[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1)N(C)C ZINC001494245896 893424150 /nfs/dbraw/zinc/42/41/50/893424150.db2.gz CRHBTJWWOKJRDH-YIZRAAEISA-N 0 3 270.333 -1.425 20 0 CAADHN CC(=O)NCC(=O)N1CCC(CN(C)CC(N)=O)CC1 ZINC001494187267 893424515 /nfs/dbraw/zinc/42/45/15/893424515.db2.gz LHIFFVRVHBSXLR-UHFFFAOYSA-N 0 3 284.360 -1.222 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001494281622 893426634 /nfs/dbraw/zinc/42/66/34/893426634.db2.gz LLAXXXIACMEIOF-WOPDTQHZSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)Cn2ncnn2)C1 ZINC001494550155 893443528 /nfs/dbraw/zinc/44/35/28/893443528.db2.gz HCSMIYIPBRWMQP-MRVPVSSYSA-N 0 3 254.294 -1.898 20 0 CAADHN COCC(=O)N(C)CC(=O)NCC1CN(C[C@H](C)O)C1 ZINC001494557200 893446697 /nfs/dbraw/zinc/44/66/97/893446697.db2.gz IWCQVQQEYYPEGO-JTQLQIEISA-N 0 3 287.360 -1.480 20 0 CAADHN CO[C@@H](C)CN1CC(CNC(=O)Cn2ncnn2)C1 ZINC001494552186 893447102 /nfs/dbraw/zinc/44/71/02/893447102.db2.gz UGNFRQWLRPLZIO-VIFPVBQESA-N 0 3 268.321 -1.244 20 0 CAADHN COCC(=O)N(C)CC(=O)NCC1CN(C[C@@H](C)O)C1 ZINC001494557201 893447452 /nfs/dbraw/zinc/44/74/52/893447452.db2.gz IWCQVQQEYYPEGO-SNVBAGLBSA-N 0 3 287.360 -1.480 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001494600159 893450257 /nfs/dbraw/zinc/45/02/57/893450257.db2.gz MQCSHTIYIAZLNR-RKDXNWHRSA-N 0 3 293.389 -1.647 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001494652171 893453102 /nfs/dbraw/zinc/45/31/02/893453102.db2.gz RFHRXNXLICAYNV-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)N[C@H]1CCN(CCCO)C1 ZINC001494735318 893458958 /nfs/dbraw/zinc/45/89/58/893458958.db2.gz NZSUNEKYLQWERR-VHSXEESVSA-N 0 3 298.343 -1.453 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)NCC(N)=O ZINC001494960444 893464711 /nfs/dbraw/zinc/46/47/11/893464711.db2.gz VVCCFJAKJVGHRO-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CCC(=O)N1 ZINC001494951186 893464793 /nfs/dbraw/zinc/46/47/93/893464793.db2.gz WJHMDZSIMRTDAQ-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CCN(C(=O)CN1CCNC(=O)C1)[C@@H]1CCN(CCO)C1 ZINC001494906088 893465902 /nfs/dbraw/zinc/46/59/02/893465902.db2.gz LHGOOICUJDMHDS-GFCCVEGCSA-N 0 3 298.387 -1.667 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)NCC(N)=O ZINC001494960439 893465915 /nfs/dbraw/zinc/46/59/15/893465915.db2.gz VVCCFJAKJVGHRO-NXEZZACHSA-N 0 3 272.349 -1.713 20 0 CAADHN CC[C@@H](CNC(=O)c1ccc(=O)[nH]n1)NCC(N)=O ZINC001494937194 893466324 /nfs/dbraw/zinc/46/63/24/893466324.db2.gz VJHCATIYFCLMSO-ZETCQYMHSA-N 0 3 267.289 -1.235 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(=O)NC)N[C@H](C)C(N)=O ZINC001494975117 893466414 /nfs/dbraw/zinc/46/64/14/893466414.db2.gz HYEQKZOYBMLVBV-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(=O)NC)N[C@@H](C)C(N)=O ZINC001494975122 893466442 /nfs/dbraw/zinc/46/64/42/893466442.db2.gz HYEQKZOYBMLVBV-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN CCN(C(=O)CNC(=O)NC)[C@@H]1CCN(CCO)C1 ZINC001494899251 893466546 /nfs/dbraw/zinc/46/65/46/893466546.db2.gz CZNMCGCFDRIYAH-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN CC[C@@H](CNC(=O)Cc1cc[nH]n1)NCC(N)=O ZINC001494960877 893467084 /nfs/dbraw/zinc/46/70/84/893467084.db2.gz YLAKUAGQRFWZRP-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)NCC(=O)NC1CC1 ZINC001494979982 893468279 /nfs/dbraw/zinc/46/82/79/893468279.db2.gz ACBYLNFFBUGARZ-VIFPVBQESA-N 0 3 295.347 -1.564 20 0 CAADHN CC[C@H](CNC(=O)[C@]12C[C@H]1COC2)NCC(N)=O ZINC001494983903 893468686 /nfs/dbraw/zinc/46/86/86/893468686.db2.gz YGEZPXWKFYRKSO-SBMIAAHKSA-N 0 3 255.318 -1.007 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCOCC1=O)NCC(N)=O ZINC001495002267 893468866 /nfs/dbraw/zinc/46/88/66/893468866.db2.gz JYGJNZMMTWZRNE-VIFPVBQESA-N 0 3 286.332 -2.185 20 0 CAADHN CC[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NCC(N)=O ZINC001494983902 893469252 /nfs/dbraw/zinc/46/92/52/893469252.db2.gz YGEZPXWKFYRKSO-AUTRQRHGSA-N 0 3 255.318 -1.007 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)CNC(=O)NC ZINC001494989818 893469501 /nfs/dbraw/zinc/46/95/01/893469501.db2.gz RLRSAUFXBZDUCF-SECBINFHSA-N 0 3 287.364 -1.464 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)N[C@@H](C)C(N)=O ZINC001494988897 893469700 /nfs/dbraw/zinc/46/97/00/893469700.db2.gz OAIHESXSZMFYMU-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN CC[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+]CC(=O)N(C)C ZINC001495086219 893471369 /nfs/dbraw/zinc/47/13/69/893471369.db2.gz LTVICZDLVXDKIF-SECBINFHSA-N 0 3 282.348 -1.080 20 0 CAADHN CC[C@@H](CNC(=O)[C@]1(C)CCNC1=O)NCC(N)=O ZINC001495058699 893471385 /nfs/dbraw/zinc/47/13/85/893471385.db2.gz QPPWLDNWMJSIIN-QPUJVOFHSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@@H]1CCNC1=O ZINC001495051940 893471643 /nfs/dbraw/zinc/47/16/43/893471643.db2.gz VMOSYPULMRFCIK-RKDXNWHRSA-N 0 3 293.327 -1.244 20 0 CAADHN CC[C@H](CNC(=O)C1CC(=O)NC(=O)C1)NCC(N)=O ZINC001495075554 893471668 /nfs/dbraw/zinc/47/16/68/893471668.db2.gz ZUIGRKKCHOSZMP-MRVPVSSYSA-N 0 3 284.316 -1.991 20 0 CAADHN CC[C@@H](CNC(=O)CCn1cnnn1)N[C@@H](C)C(=O)NC ZINC001495079228 893471736 /nfs/dbraw/zinc/47/17/36/893471736.db2.gz HCSMHTSBBVGUPP-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)NCC(N)=O ZINC001495065266 893471884 /nfs/dbraw/zinc/47/18/84/893471884.db2.gz RBJPGSVFALSQER-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)NCC(N)=O ZINC001495065298 893472196 /nfs/dbraw/zinc/47/21/96/893472196.db2.gz RBJPGSVFALSQER-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)NCC(=O)N(C)CC ZINC001495038611 893472452 /nfs/dbraw/zinc/47/24/52/893472452.db2.gz QNFDULIQPOOWLB-SECBINFHSA-N 0 3 297.363 -1.214 20 0 CAADHN CC[C@@H](CNC(=O)c1ccn2nnnc2c1)NCC(N)=O ZINC001495034843 893472543 /nfs/dbraw/zinc/47/25/43/893472543.db2.gz KYXWDNULPPXDMW-VIFPVBQESA-N 0 3 291.315 -1.292 20 0 CAADHN CC[C@H](CNC(=O)CCn1cnnn1)N[C@@H]1CCNC1=O ZINC001495080462 893472615 /nfs/dbraw/zinc/47/26/15/893472615.db2.gz PZBKFTZAVVTBHY-NXEZZACHSA-N 0 3 295.347 -1.564 20 0 CAADHN CC[C@@H](CNC(=O)CCn1cnnn1)N[C@H](C)C(=O)NC ZINC001495079231 893473074 /nfs/dbraw/zinc/47/30/74/893473074.db2.gz HCSMHTSBBVGUPP-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN CC[C@H](CNC(=O)c1ccn2nnnc2c1)NCC(N)=O ZINC001495034842 893473180 /nfs/dbraw/zinc/47/31/80/893473180.db2.gz KYXWDNULPPXDMW-SECBINFHSA-N 0 3 291.315 -1.292 20 0 CAADHN CC[C@H](CNC(=O)CCNC(N)=O)N[C@@H](C)C(N)=O ZINC001495102563 893473191 /nfs/dbraw/zinc/47/31/91/893473191.db2.gz DEKRWNBLQJCBRP-JGVFFNPUSA-N 0 3 273.337 -1.597 20 0 CAADHN CC[C@H](CNC(=O)[C@]1(C)CCNC1=O)NCC(N)=O ZINC001495058697 893473390 /nfs/dbraw/zinc/47/33/90/893473390.db2.gz QPPWLDNWMJSIIN-PRHODGIISA-N 0 3 270.333 -1.518 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@@H](CC)CNC(=O)C(N)=O ZINC001495052816 893473438 /nfs/dbraw/zinc/47/34/38/893473438.db2.gz ZSZMUYRGNAUBAP-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@H](CNC(=O)Cc1c[nH]cn1)NCC(N)=O ZINC001495062965 893473505 /nfs/dbraw/zinc/47/35/05/893473505.db2.gz FQTDWVGPRMFJHX-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(N)=O)N[C@@H](C)C(N)=O ZINC001495102565 893473544 /nfs/dbraw/zinc/47/35/44/893473544.db2.gz DEKRWNBLQJCBRP-YUMQZZPRSA-N 0 3 273.337 -1.597 20 0 CAADHN CC[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+]CC(=O)N(C)C ZINC001495086221 893473554 /nfs/dbraw/zinc/47/35/54/893473554.db2.gz LTVICZDLVXDKIF-VIFPVBQESA-N 0 3 282.348 -1.080 20 0 CAADHN CC[C@H](CNC(=O)CCNC(N)=O)N[C@H](C)C(N)=O ZINC001495102562 893473563 /nfs/dbraw/zinc/47/35/63/893473563.db2.gz DEKRWNBLQJCBRP-HTQZYQBOSA-N 0 3 273.337 -1.597 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)NCC(N)=O ZINC001495138241 893474861 /nfs/dbraw/zinc/47/48/61/893474861.db2.gz MLPXJINXPQJWSJ-DTWKUNHWSA-N 0 3 293.389 -1.363 20 0 CAADHN Cn1[nH]c(CNC[C@@](C)(NC(=O)C(N)=O)C2CC2)nc1=O ZINC001495283034 893475362 /nfs/dbraw/zinc/47/53/62/893475362.db2.gz ZEDYHYWQPWHMEV-GFCCVEGCSA-N 0 3 296.331 -2.032 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001495289496 893476090 /nfs/dbraw/zinc/47/60/90/893476090.db2.gz GEQLVKFMGGAIBF-VIFPVBQESA-N 0 3 293.327 -1.289 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001495255042 893476470 /nfs/dbraw/zinc/47/64/70/893476470.db2.gz OOMFCFHFFBDLBO-XPTSAGLGSA-N 0 3 296.371 -1.128 20 0 CAADHN Cn1nnc(C(=O)NC2(CNCC(N)=O)CCCC2)n1 ZINC001495182207 893476660 /nfs/dbraw/zinc/47/66/60/893476660.db2.gz SWOUFLCUUPUGPT-UHFFFAOYSA-N 0 3 281.320 -1.672 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001495282125 893476892 /nfs/dbraw/zinc/47/68/92/893476892.db2.gz WTWLPLFPSPJHTC-CYBMUJFWSA-N 0 3 293.327 -1.257 20 0 CAADHN CC(=O)N(C)CC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001495127490 893477091 /nfs/dbraw/zinc/47/70/91/893477091.db2.gz MKOPQNQCYRZXSG-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001495255039 893477125 /nfs/dbraw/zinc/47/71/25/893477125.db2.gz OOMFCFHFFBDLBO-OTYXRUKQSA-N 0 3 296.371 -1.128 20 0 CAADHN CCCN(C)CC(=O)NC[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001495292946 893479959 /nfs/dbraw/zinc/47/99/59/893479959.db2.gz WXNPWQDPMXNTMV-SNVBAGLBSA-N 0 3 284.360 -1.222 20 0 CAADHN CN(C(=O)CNC[C@H]1CCCN1C(=O)C(N)=O)C1CC1 ZINC001495576389 893482133 /nfs/dbraw/zinc/48/21/33/893482133.db2.gz VZKYWFTXNNOBSK-SNVBAGLBSA-N 0 3 282.344 -1.327 20 0 CAADHN CC[C@H](NC[C@H]1CCCN1C(=O)C(N)=O)C(N)=O ZINC001495575637 893483054 /nfs/dbraw/zinc/48/30/54/893483054.db2.gz AZFKVVQLPBURSD-SFYZADRCSA-N 0 3 256.306 -1.684 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](C)CNC(=O)CCc1nnc[n-]1 ZINC001495644513 893483105 /nfs/dbraw/zinc/48/31/05/893483105.db2.gz QXSRBSJPAIWIST-SECBINFHSA-N 0 3 282.348 -1.175 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](C)CNC(=O)CCc1nnc[n-]1 ZINC001495644523 893483164 /nfs/dbraw/zinc/48/31/64/893483164.db2.gz QXSRBSJPAIWIST-VIFPVBQESA-N 0 3 282.348 -1.175 20 0 CAADHN CC[C@H](C)NC(=O)CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001495575916 893483294 /nfs/dbraw/zinc/48/32/94/893483294.db2.gz JSSAVQQQBHZNQL-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CNCc1nccn1C)CNC(=O)Cn1ncnn1 ZINC001495669376 893484897 /nfs/dbraw/zinc/48/48/97/893484897.db2.gz VVKJBURACYBJKS-SNVBAGLBSA-N 0 3 292.347 -1.051 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)C[NH2+]CC(=O)NC1CC1 ZINC001495786412 893488870 /nfs/dbraw/zinc/48/88/70/893488870.db2.gz WXQYFPHCQYEOID-SECBINFHSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)C[NH2+]CC(=O)N1CCC1 ZINC001495781679 893488993 /nfs/dbraw/zinc/48/89/93/893488993.db2.gz AOPFPOJTRYBOQH-SNVBAGLBSA-N 0 3 294.359 -1.079 20 0 CAADHN CCN(CC)C(=O)CNC[C@H](C)N(C)C(=O)C(N)=O ZINC001496149845 893508487 /nfs/dbraw/zinc/50/84/87/893508487.db2.gz NIANPBKAWXPQIW-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN CN(CCNC(=O)CC(N)=O)C(=O)[C@H]1CCCN1C ZINC001495924094 893500274 /nfs/dbraw/zinc/50/02/74/893500274.db2.gz AKKTVNKLWRTOHE-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001496076656 893501316 /nfs/dbraw/zinc/50/13/16/893501316.db2.gz DXNGSOMXAQYVGU-DTWKUNHWSA-N 0 3 295.343 -1.296 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CC(N)=O ZINC001496025164 893501498 /nfs/dbraw/zinc/50/14/98/893501498.db2.gz KCQWYSLVTUIQOM-HTQZYQBOSA-N 0 3 256.306 -1.813 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001496048756 893502625 /nfs/dbraw/zinc/50/26/25/893502625.db2.gz FSXUYCUNEABEPX-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CC(N)=O)C(=O)NC1CC1 ZINC001496027931 893503165 /nfs/dbraw/zinc/50/31/65/893503165.db2.gz XQMRMRJLHUJIQI-DTWKUNHWSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCOC1 ZINC001496018570 893504322 /nfs/dbraw/zinc/50/43/22/893504322.db2.gz VLKVBZHYVZSTIZ-BDAKNGLRSA-N 0 3 286.332 -1.346 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@H](C)CN[C@@H]2CCNC2=O)C1 ZINC001496042627 893504475 /nfs/dbraw/zinc/50/44/75/893504475.db2.gz RSZGYYSIBWUMFS-BXKDBHETSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cc1cc[nH]n1 ZINC001496027374 893505249 /nfs/dbraw/zinc/50/52/49/893505249.db2.gz SIQSRBCHYHDPKC-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](NC[C@@H](C)N(C)C(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001496076662 893505284 /nfs/dbraw/zinc/50/52/84/893505284.db2.gz DXNGSOMXAQYVGU-RKDXNWHRSA-N 0 3 295.343 -1.296 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001496093407 893506158 /nfs/dbraw/zinc/50/61/58/893506158.db2.gz HYGUAGJCWFFPFU-YUMQZZPRSA-N 0 3 279.362 -1.659 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001496130917 893506328 /nfs/dbraw/zinc/50/63/28/893506328.db2.gz LLDDQFSLWDPKJI-ZJUUUORDSA-N 0 3 299.375 -1.465 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001496130913 893507304 /nfs/dbraw/zinc/50/73/04/893507304.db2.gz LLDDQFSLWDPKJI-VHSXEESVSA-N 0 3 299.375 -1.465 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccnc2n[nH]nc21 ZINC001496113223 893507343 /nfs/dbraw/zinc/50/73/43/893507343.db2.gz YPXCSXCPQJWDSY-SSDOTTSWSA-N 0 3 291.315 -1.112 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001496130910 893507468 /nfs/dbraw/zinc/50/74/68/893507468.db2.gz LLDDQFSLWDPKJI-NXEZZACHSA-N 0 3 299.375 -1.465 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CCS(C)(=O)=O ZINC001496091340 893508067 /nfs/dbraw/zinc/50/80/67/893508067.db2.gz BFIAVIJNUCZOOR-RKDXNWHRSA-N 0 3 293.389 -1.269 20 0 CAADHN CCN(CC)C(=O)CNC[C@@H](C)N(C)C(=O)C(N)=O ZINC001496149844 893508163 /nfs/dbraw/zinc/50/81/63/893508163.db2.gz NIANPBKAWXPQIW-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cc1cnoc1 ZINC001496145873 893508214 /nfs/dbraw/zinc/50/82/14/893508214.db2.gz RFDKNHDHVCJJKE-MRVPVSSYSA-N 0 3 297.315 -1.152 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H](COC)OC ZINC001496152768 893508294 /nfs/dbraw/zinc/50/82/94/893508294.db2.gz QDYBGBTYWZDSTP-NXEZZACHSA-N 0 3 275.349 -1.170 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H](COC)OC ZINC001496152770 893508933 /nfs/dbraw/zinc/50/89/33/893508933.db2.gz QDYBGBTYWZDSTP-VHSXEESVSA-N 0 3 275.349 -1.170 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001496088870 893509576 /nfs/dbraw/zinc/50/95/76/893509576.db2.gz BHOHLPYPCBSITN-ZCFIWIBFSA-N 0 3 269.305 -1.041 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001496143915 893509680 /nfs/dbraw/zinc/50/96/80/893509680.db2.gz KGBRFHDAABSWAD-JGVFFNPUSA-N 0 3 281.316 -1.306 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](COC)OC ZINC001496152771 893509925 /nfs/dbraw/zinc/50/99/25/893509925.db2.gz QDYBGBTYWZDSTP-ZJUUUORDSA-N 0 3 275.349 -1.170 20 0 CAADHN CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1nc[n-]n1 ZINC001496186862 893511117 /nfs/dbraw/zinc/51/11/17/893511117.db2.gz UGBOUQOTRXARCP-SSDOTTSWSA-N 0 3 297.319 -1.690 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001496228119 893511147 /nfs/dbraw/zinc/51/11/47/893511147.db2.gz XILOQWILSKFSID-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)CS(C)(=O)=O ZINC001496261432 893512055 /nfs/dbraw/zinc/51/20/55/893512055.db2.gz LMFOQAHVGIDTQX-VIFPVBQESA-N 0 3 293.389 -1.363 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCn1cnnn1 ZINC001496192413 893512083 /nfs/dbraw/zinc/51/20/83/893512083.db2.gz CIHPWZZUXJBNIR-IUCAKERBSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)Cn1cncn1 ZINC001496227344 893512645 /nfs/dbraw/zinc/51/26/45/893512645.db2.gz QLIMANKJJOVUKL-JTQLQIEISA-N 0 3 282.348 -1.197 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)Cn1cncn1 ZINC001496226785 893513761 /nfs/dbraw/zinc/51/37/61/893513761.db2.gz NJRMUBABECJCLH-ZJUUUORDSA-N 0 3 282.348 -1.151 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)Cn1cncn1 ZINC001496227345 893513994 /nfs/dbraw/zinc/51/39/94/893513994.db2.gz QLIMANKJJOVUKL-SNVBAGLBSA-N 0 3 282.348 -1.197 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)CCNC(N)=O ZINC001496227319 893514057 /nfs/dbraw/zinc/51/40/57/893514057.db2.gz PUUFLTCDKYWBJH-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)CS(C)(=O)=O ZINC001496261431 893514577 /nfs/dbraw/zinc/51/45/77/893514577.db2.gz LMFOQAHVGIDTQX-SECBINFHSA-N 0 3 293.389 -1.363 20 0 CAADHN CNC(=O)C1(C(=O)N(C)[C@@H](C)CNCC(N)=O)CC1 ZINC001496180564 893514621 /nfs/dbraw/zinc/51/46/21/893514621.db2.gz HZMLCUKFKREQES-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CCn1cnnn1 ZINC001496192416 893514656 /nfs/dbraw/zinc/51/46/56/893514656.db2.gz CIHPWZZUXJBNIR-RKDXNWHRSA-N 0 3 283.336 -1.627 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CNCC(N)=O ZINC001496469304 893520411 /nfs/dbraw/zinc/52/04/11/893520411.db2.gz WEXXUQPOWSPGIW-UWVGGRQHSA-N 0 3 299.375 -1.383 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1CNCC(N)=O ZINC001496469305 893521007 /nfs/dbraw/zinc/52/10/07/893521007.db2.gz WEXXUQPOWSPGIW-VHSXEESVSA-N 0 3 299.375 -1.383 20 0 CAADHN CC(C)[C@H](CNC(=O)c1c[nH]c(=O)n1C)NCC(N)=O ZINC001496589402 893523876 /nfs/dbraw/zinc/52/38/76/893523876.db2.gz HYVQWLVTJDBCEQ-QMMMGPOBSA-N 0 3 283.332 -1.045 20 0 CAADHN CC(C)[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)NCC(N)=O ZINC001496610915 893523970 /nfs/dbraw/zinc/52/39/70/893523970.db2.gz GAOXVHPMJJMDJB-VHSXEESVSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)Cn1ncnn1)C(C)C ZINC001496560519 893524175 /nfs/dbraw/zinc/52/41/75/893524175.db2.gz DBOSBWICBCTWCY-SECBINFHSA-N 0 3 283.336 -1.851 20 0 CAADHN CC(C)[C@H](CNC(=O)CC(N)=O)NCCS(C)(=O)=O ZINC001496534722 893524263 /nfs/dbraw/zinc/52/42/63/893524263.db2.gz QDPBNNOHKNNNQY-VIFPVBQESA-N 0 3 293.389 -1.363 20 0 CAADHN CN(CCNC(=O)C(N)=O)C(=O)CN1CCC(C)(C)C1 ZINC001496491919 893524348 /nfs/dbraw/zinc/52/43/48/893524348.db2.gz SVDQUKLHUFHFAG-UHFFFAOYSA-N 0 3 284.360 -1.222 20 0 CAADHN CC(C)[C@@H](CNC(=O)c1c[nH]c(=O)n1C)NCC(N)=O ZINC001496589401 893524386 /nfs/dbraw/zinc/52/43/86/893524386.db2.gz HYVQWLVTJDBCEQ-MRVPVSSYSA-N 0 3 283.332 -1.045 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(N)=O)NCC(=O)NC1CC1 ZINC001496600091 893524696 /nfs/dbraw/zinc/52/46/96/893524696.db2.gz TXWMFVRLRLIGLL-SECBINFHSA-N 0 3 270.333 -1.519 20 0 CAADHN CC(C)[C@H](CNC(=O)C[C@H]1CCC(=O)N1)NCC(N)=O ZINC001496610926 893525352 /nfs/dbraw/zinc/52/53/52/893525352.db2.gz GAOXVHPMJJMDJB-ZJUUUORDSA-N 0 3 284.360 -1.129 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@H]1CCNC1=O)C(C)C ZINC001496590450 893526509 /nfs/dbraw/zinc/52/65/09/893526509.db2.gz PKTMCZVRXLDJEP-WDEREUQCSA-N 0 3 298.387 -1.011 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(N)=O ZINC001496594920 893526926 /nfs/dbraw/zinc/52/69/26/893526926.db2.gz LOUKAPXNJYKNBT-UWVGGRQHSA-N 0 3 284.360 -1.177 20 0 CAADHN CN(CCOCCO)CCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001496701249 893530352 /nfs/dbraw/zinc/53/03/52/893530352.db2.gz WRHNYKZMSULJRW-JTQLQIEISA-N 0 3 289.332 -1.506 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)CC(N)=O ZINC001496675821 893532366 /nfs/dbraw/zinc/53/23/66/893532366.db2.gz IBCLZGHDKWXVKG-SECBINFHSA-N 0 3 261.322 -1.741 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCN(C)CCO)C1 ZINC001496691922 893533641 /nfs/dbraw/zinc/53/36/41/893533641.db2.gz FUAQGDZPTKMGIW-UHFFFAOYSA-N 0 3 257.334 -1.153 20 0 CAADHN COCCC(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001496924122 893534284 /nfs/dbraw/zinc/53/42/84/893534284.db2.gz CLRVTDQTQVLWDB-VHSXEESVSA-N 0 3 273.333 -1.632 20 0 CAADHN COCCC(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001496924121 893535725 /nfs/dbraw/zinc/53/57/25/893535725.db2.gz CLRVTDQTQVLWDB-UWVGGRQHSA-N 0 3 273.333 -1.632 20 0 CAADHN COCCC(=O)NC[C@H](O)CNCC(=O)N1CCCC1 ZINC001496923965 893535754 /nfs/dbraw/zinc/53/57/54/893535754.db2.gz PDIKFUKVVQIUIE-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001496846692 893535999 /nfs/dbraw/zinc/53/59/99/893535999.db2.gz KQSAKSMMYDQOQG-VHSXEESVSA-N 0 3 285.344 -1.190 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C(F)F ZINC001496923656 893536511 /nfs/dbraw/zinc/53/65/11/893536511.db2.gz BGGIHRRCHQVDNH-NTSWFWBYSA-N 0 3 253.249 -1.547 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001496837679 893536747 /nfs/dbraw/zinc/53/67/47/893536747.db2.gz DSZDEXMXSWOWLJ-NXEZZACHSA-N 0 3 293.389 -1.551 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001496801442 893537295 /nfs/dbraw/zinc/53/72/95/893537295.db2.gz QEWJWIDMNCUIEK-VIFPVBQESA-N 0 3 285.344 -1.190 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C(F)F ZINC001496923788 893537341 /nfs/dbraw/zinc/53/73/41/893537341.db2.gz BGGIHRRCHQVDNH-WDSKDSINSA-N 0 3 253.249 -1.547 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C(F)F ZINC001496923657 893538914 /nfs/dbraw/zinc/53/89/14/893538914.db2.gz BGGIHRRCHQVDNH-PHDIDXHHSA-N 0 3 253.249 -1.547 20 0 CAADHN CC(C)CC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001496926802 893540371 /nfs/dbraw/zinc/54/03/71/893540371.db2.gz BZOLHCXNTLKFRF-NXEZZACHSA-N 0 3 257.334 -1.012 20 0 CAADHN Cc1nnsc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001496936106 893540603 /nfs/dbraw/zinc/54/06/03/893540603.db2.gz JGQXOXIQSHOKPC-NKWVEPMBSA-N 0 3 287.345 -1.599 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)cn1 ZINC001496935243 893540675 /nfs/dbraw/zinc/54/06/75/893540675.db2.gz BWDNUNYPSCYVMX-QWRGUYRKSA-N 0 3 295.343 -1.669 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCC(=O)NC(C)C ZINC001496935090 893540712 /nfs/dbraw/zinc/54/07/12/893540712.db2.gz ZZVRTVGZCHYJJH-SNVBAGLBSA-N 0 3 288.348 -2.286 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C(C)(C)F)C(=O)NC(N)=O ZINC001496933096 893541190 /nfs/dbraw/zinc/54/11/90/893541190.db2.gz NEOLNABGCDNWOD-BQBZGAKWSA-N 0 3 292.311 -1.615 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1cnccn1 ZINC001496927933 893541444 /nfs/dbraw/zinc/54/14/44/893541444.db2.gz PHHCPIGQBMXCEK-VHSXEESVSA-N 0 3 293.327 -1.565 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccccc1 ZINC001496928776 893541505 /nfs/dbraw/zinc/54/15/05/893541505.db2.gz VNCJPGVIDHBWBA-JTQLQIEISA-N 0 3 251.286 -1.148 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cccnc1 ZINC001496927268 893541990 /nfs/dbraw/zinc/54/19/90/893541990.db2.gz HZXZRHYZOJTETG-KOLCDFICSA-N 0 3 280.328 -1.104 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cccnc1 ZINC001496927271 893542212 /nfs/dbraw/zinc/54/22/12/893542212.db2.gz HZXZRHYZOJTETG-ONGXEEELSA-N 0 3 280.328 -1.104 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccccc1 ZINC001496928778 893542250 /nfs/dbraw/zinc/54/22/50/893542250.db2.gz VNCJPGVIDHBWBA-SNVBAGLBSA-N 0 3 251.286 -1.148 20 0 CAADHN Cc1nnsc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001496936105 893542517 /nfs/dbraw/zinc/54/25/17/893542517.db2.gz JGQXOXIQSHOKPC-BQBZGAKWSA-N 0 3 287.345 -1.599 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)CNC(C)=O ZINC001496934807 893542613 /nfs/dbraw/zinc/54/26/13/893542613.db2.gz YXTZRRGBOCRPMW-SNVBAGLBSA-N 0 3 288.348 -2.333 20 0 CAADHN Cc1nnsc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001496936108 893543642 /nfs/dbraw/zinc/54/36/42/893543642.db2.gz JGQXOXIQSHOKPC-RQJHMYQMSA-N 0 3 287.345 -1.599 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)C1CCC1 ZINC001496926107 893543703 /nfs/dbraw/zinc/54/37/03/893543703.db2.gz OBNMFQIEVZTSMF-QMMMGPOBSA-N 0 3 272.305 -1.952 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1cnccn1 ZINC001496927932 893543758 /nfs/dbraw/zinc/54/37/58/893543758.db2.gz PHHCPIGQBMXCEK-UWVGGRQHSA-N 0 3 293.327 -1.565 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C(C)(C)F)C(=O)NC(N)=O ZINC001496933098 893543797 /nfs/dbraw/zinc/54/37/97/893543797.db2.gz NEOLNABGCDNWOD-RNFRBKRXSA-N 0 3 292.311 -1.615 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1cnccn1 ZINC001496927931 893543819 /nfs/dbraw/zinc/54/38/19/893543819.db2.gz PHHCPIGQBMXCEK-NXEZZACHSA-N 0 3 293.327 -1.565 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C(C)(C)F)C(=O)NC(N)=O ZINC001496933099 893544157 /nfs/dbraw/zinc/54/41/57/893544157.db2.gz NEOLNABGCDNWOD-RQJHMYQMSA-N 0 3 292.311 -1.615 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001496939958 893545015 /nfs/dbraw/zinc/54/50/15/893545015.db2.gz SQCACCOIZDTOTC-QMMMGPOBSA-N 0 3 285.308 -3.124 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1C=CCC1 ZINC001496936533 893545295 /nfs/dbraw/zinc/54/52/95/893545295.db2.gz LTWXYYMFORIJDB-VHSXEESVSA-N 0 3 255.318 -1.105 20 0 CAADHN O=C(Cn1cccn1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001496938351 893545351 /nfs/dbraw/zinc/54/53/51/893545351.db2.gz VYPSSKNYQKZMNJ-WDEREUQCSA-N 0 3 295.343 -1.772 20 0 CAADHN CC[C@H](F)CNC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001496940854 893546071 /nfs/dbraw/zinc/54/60/71/893546071.db2.gz XVMSZJJBJGCSBC-IUCAKERBSA-N 0 3 274.300 -1.512 20 0 CAADHN CC[C@@H](F)CNC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001496940856 893545527 /nfs/dbraw/zinc/54/55/27/893545527.db2.gz XVMSZJJBJGCSBC-RKDXNWHRSA-N 0 3 274.300 -1.512 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc(Cl)c[nH]1 ZINC001496938773 893545647 /nfs/dbraw/zinc/54/56/47/893545647.db2.gz XAFHSKIVZNZZMQ-ZETCQYMHSA-N 0 3 274.708 -1.166 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001496939114 893545857 /nfs/dbraw/zinc/54/58/57/893545857.db2.gz ODTIPOWEFBBBFC-YUMQZZPRSA-N 0 3 295.299 -2.249 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1C=CCC1 ZINC001496940234 893546110 /nfs/dbraw/zinc/54/61/10/893546110.db2.gz USPAUHNYYZUXBF-NXEZZACHSA-N 0 3 298.343 -1.396 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CNC(=O)C1CC1 ZINC001496943403 893546142 /nfs/dbraw/zinc/54/61/42/893546142.db2.gz CDKHOJUNIFSSGI-SECBINFHSA-N 0 3 286.332 -2.675 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1C=CCC1 ZINC001496940235 893546505 /nfs/dbraw/zinc/54/65/05/893546505.db2.gz USPAUHNYYZUXBF-UWVGGRQHSA-N 0 3 298.343 -1.396 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)c1C ZINC001496941828 893546534 /nfs/dbraw/zinc/54/65/34/893546534.db2.gz ZPYFPIPQIDAKHH-SNVBAGLBSA-N 0 3 297.359 -1.455 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001496936451 893547465 /nfs/dbraw/zinc/54/74/65/893547465.db2.gz DESDMMOBLAHTKW-IUCAKERBSA-N 0 3 297.319 -2.982 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001496944137 893548548 /nfs/dbraw/zinc/54/85/48/893548548.db2.gz HNAMUOZWPJKTJZ-QMMMGPOBSA-N 0 3 260.294 -2.983 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cnns2)n[nH]1 ZINC001496943606 893548297 /nfs/dbraw/zinc/54/82/97/893548297.db2.gz FOPIGKOBGZDJKT-SSDOTTSWSA-N 0 3 297.344 -1.155 20 0 CAADHN O=C(Cn1cccn1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001496938346 893548334 /nfs/dbraw/zinc/54/83/34/893548334.db2.gz VYPSSKNYQKZMNJ-GHMZBOCLSA-N 0 3 295.343 -1.772 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001496944124 893548677 /nfs/dbraw/zinc/54/86/77/893548677.db2.gz LIJPCFHWJATMLY-DTWKUNHWSA-N 0 3 283.332 -1.467 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)c1ccc(=O)[nH]n1 ZINC001496938053 893548751 /nfs/dbraw/zinc/54/87/51/893548751.db2.gz JWLHIZYJTGFHIV-ZETCQYMHSA-N 0 3 258.253 -1.168 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc(Cl)c[nH]1 ZINC001496938772 893548783 /nfs/dbraw/zinc/54/87/83/893548783.db2.gz XAFHSKIVZNZZMQ-SSDOTTSWSA-N 0 3 274.708 -1.166 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001496944125 893549105 /nfs/dbraw/zinc/54/91/05/893549105.db2.gz LIJPCFHWJATMLY-IUCAKERBSA-N 0 3 283.332 -1.467 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cc(C)n[nH]1)C(N)=O ZINC001496943810 893549374 /nfs/dbraw/zinc/54/93/74/893549374.db2.gz HWESKLKVAUCENR-BDAKNGLRSA-N 0 3 283.332 -1.338 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001496944122 893549500 /nfs/dbraw/zinc/54/95/00/893549500.db2.gz LIJPCFHWJATMLY-BDAKNGLRSA-N 0 3 283.332 -1.467 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1C=CCC1 ZINC001496936534 893549741 /nfs/dbraw/zinc/54/97/41/893549741.db2.gz LTWXYYMFORIJDB-ZJUUUORDSA-N 0 3 255.318 -1.105 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001496946990 893550612 /nfs/dbraw/zinc/55/06/12/893550612.db2.gz UOFKQROVGKNJKW-ZJUUUORDSA-N 0 3 289.332 -2.443 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CNC(=O)c2ccn[nH]2)C1=O ZINC001496947293 893550766 /nfs/dbraw/zinc/55/07/66/893550766.db2.gz VDXNGPILFVVNKH-ONGXEEELSA-N 0 3 295.343 -1.289 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@H](C)OC ZINC001496949818 893550958 /nfs/dbraw/zinc/55/09/58/893550958.db2.gz CDTGOLQJCDRSQL-YUMQZZPRSA-N 0 3 290.320 -2.456 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001496946106 893551042 /nfs/dbraw/zinc/55/10/42/893551042.db2.gz XVXMYTACOKEWEF-MRVPVSSYSA-N 0 3 290.320 -2.503 20 0 CAADHN CC(C)CNC(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001496946175 893551657 /nfs/dbraw/zinc/55/16/57/893551657.db2.gz YWMWNTFVEJIXOA-NSHDSACASA-N 0 3 297.359 -1.138 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccn[nH]1)NCC1CC1 ZINC001496946609 893551953 /nfs/dbraw/zinc/55/19/53/893551953.db2.gz SBPMISVWHGUJNW-JTQLQIEISA-N 0 3 295.343 -1.384 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001496946989 893552433 /nfs/dbraw/zinc/55/24/33/893552433.db2.gz UOFKQROVGKNJKW-VHSXEESVSA-N 0 3 289.332 -2.443 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccnn1C)C(N)=O ZINC001496947650 893552942 /nfs/dbraw/zinc/55/29/42/893552942.db2.gz ARTIEPNYUUKQNU-YUMQZZPRSA-N 0 3 269.305 -2.026 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CC(F)(F)F ZINC001496949142 893553037 /nfs/dbraw/zinc/55/30/37/893553037.db2.gz AUQHYVVOJKDOOM-RXMQYKEDSA-N 0 3 257.212 -1.509 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)c1cocn1)C1CC1 ZINC001496949374 893553088 /nfs/dbraw/zinc/55/30/88/893553088.db2.gz IYAPASXWMLQVGU-SNVBAGLBSA-N 0 3 296.327 -1.024 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCOC1 ZINC001496947667 893553222 /nfs/dbraw/zinc/55/32/22/893553222.db2.gz ATEONGJDWOYHPL-QWRGUYRKSA-N 0 3 287.360 -1.384 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CNCCF)nnn1C ZINC001496958255 893563452 /nfs/dbraw/zinc/56/34/52/893563452.db2.gz PLRIFRXXCRUKJD-QMMMGPOBSA-N 0 3 259.285 -1.227 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCOC1 ZINC001496947669 893554402 /nfs/dbraw/zinc/55/44/02/893554402.db2.gz ATEONGJDWOYHPL-WDEREUQCSA-N 0 3 287.360 -1.384 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001496945913 893554699 /nfs/dbraw/zinc/55/46/99/893554699.db2.gz PDFRHCPGBQLCKC-SECBINFHSA-N 0 3 283.332 -1.385 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001496949256 893554949 /nfs/dbraw/zinc/55/49/49/893554949.db2.gz BMTRPCNRJLYIJA-MNOVXSKESA-N 0 3 287.360 -1.386 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)C2=COCCC2)C1=O ZINC001496948614 893554992 /nfs/dbraw/zinc/55/49/92/893554992.db2.gz DRXRTXYDJFGOHS-NWDGAFQWSA-N 0 3 297.355 -1.022 20 0 CAADHN Cc1ncccc1CNC[C@H](O)CNC(=O)CC(N)=O ZINC001496957813 893555913 /nfs/dbraw/zinc/55/59/13/893555913.db2.gz MZHWPPNGNMZLBZ-NSHDSACASA-N 0 3 280.328 -1.168 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C(=O)C(C)(C)C ZINC001496954178 893555998 /nfs/dbraw/zinc/55/59/98/893555998.db2.gz FOAVAJLJFJMCPZ-SECBINFHSA-N 0 3 287.360 -1.244 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCOC1)NC1CC1 ZINC001496953676 893556085 /nfs/dbraw/zinc/55/60/85/893556085.db2.gz QDXHDWYYFWXLJT-ONGXEEELSA-N 0 3 285.344 -1.632 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cc(C)nn1C)C(N)=O ZINC001496955147 893556792 /nfs/dbraw/zinc/55/67/92/893556792.db2.gz ZWYNXZJNGDYSRV-ZJUUUORDSA-N 0 3 297.359 -1.327 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cc(C)nn1C)C(N)=O ZINC001496955145 893556921 /nfs/dbraw/zinc/55/69/21/893556921.db2.gz ZWYNXZJNGDYSRV-UWVGGRQHSA-N 0 3 297.359 -1.327 20 0 CAADHN CCc1ocnc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001496957496 893557178 /nfs/dbraw/zinc/55/71/78/893557178.db2.gz JGPDWJQMJIDZRK-YUMQZZPRSA-N 0 3 284.316 -1.209 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1cc(C)on1 ZINC001496954110 893557465 /nfs/dbraw/zinc/55/74/65/893557465.db2.gz DMIQDBQZUJFLNN-GXSJLCMTSA-N 0 3 298.343 -1.273 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccnn1C ZINC001496951349 893557962 /nfs/dbraw/zinc/55/79/62/893557962.db2.gz UTQGLYHOWGYIPZ-DTWKUNHWSA-N 0 3 283.332 -1.765 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cc(C)nn1C)C(N)=O ZINC001496955146 893558617 /nfs/dbraw/zinc/55/86/17/893558617.db2.gz ZWYNXZJNGDYSRV-VHSXEESVSA-N 0 3 297.359 -1.327 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCOC1)NC1CC1 ZINC001496953674 893559765 /nfs/dbraw/zinc/55/97/65/893559765.db2.gz QDXHDWYYFWXLJT-MWLCHTKSSA-N 0 3 285.344 -1.632 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C(=O)C(C)(C)C ZINC001496953741 893560039 /nfs/dbraw/zinc/56/00/39/893560039.db2.gz BTVFRHOGKARDAS-MRVPVSSYSA-N 0 3 273.333 -1.586 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001496950996 893560116 /nfs/dbraw/zinc/56/01/16/893560116.db2.gz RSHCWPQRNQAHRY-WDEREUQCSA-N 0 3 295.343 -1.735 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)Cc2ccon2)C1=O ZINC001496958192 893560470 /nfs/dbraw/zinc/56/04/70/893560470.db2.gz OSQHCBAASMUQTI-QWRGUYRKSA-N 0 3 296.327 -1.486 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnccc1C ZINC001496958607 893560680 /nfs/dbraw/zinc/56/06/80/893560680.db2.gz RNXQEUFGTOIFCW-JTQLQIEISA-N 0 3 280.328 -1.184 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001496957978 893561100 /nfs/dbraw/zinc/56/11/00/893561100.db2.gz ORRNHMFNEUDKKL-SCZZXKLOSA-N 0 3 283.332 -1.847 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1CC=CC1)C(N)=O ZINC001496960061 893561498 /nfs/dbraw/zinc/56/14/98/893561498.db2.gz YNNFAYXVYGZNGE-SCZZXKLOSA-N 0 3 255.318 -1.107 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001496968008 893561642 /nfs/dbraw/zinc/56/16/42/893561642.db2.gz GRDRWPFZLDAZJR-WPRPVWTQSA-N 0 3 298.347 -1.956 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C1=CCOCC1 ZINC001496969614 893561852 /nfs/dbraw/zinc/56/18/52/893561852.db2.gz ULPHSAKMTULHIL-KOLCDFICSA-N 0 3 285.344 -1.466 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C1=CCOCC1 ZINC001496969616 893561983 /nfs/dbraw/zinc/56/19/83/893561983.db2.gz ULPHSAKMTULHIL-ONGXEEELSA-N 0 3 285.344 -1.466 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C1=CCOCC1 ZINC001496969615 893562030 /nfs/dbraw/zinc/56/20/30/893562030.db2.gz ULPHSAKMTULHIL-MWLCHTKSSA-N 0 3 285.344 -1.466 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1n[nH]c(C)c1C ZINC001496957925 893562350 /nfs/dbraw/zinc/56/23/50/893562350.db2.gz NYLGWCSXVBRATK-SNVBAGLBSA-N 0 3 297.359 -1.157 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)C1CC1 ZINC001496961103 893562548 /nfs/dbraw/zinc/56/25/48/893562548.db2.gz MIFZQEIWOJYOHA-WPRPVWTQSA-N 0 3 257.334 -1.155 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CC[C@H]1CCOC1 ZINC001496967770 893562874 /nfs/dbraw/zinc/56/28/74/893562874.db2.gz YYGLSRMPMAVAEX-QWRGUYRKSA-N 0 3 287.360 -1.384 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)C1CC1 ZINC001496961100 893563064 /nfs/dbraw/zinc/56/30/64/893563064.db2.gz MIFZQEIWOJYOHA-SCZZXKLOSA-N 0 3 257.334 -1.155 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cncc(F)c1 ZINC001496965554 893563304 /nfs/dbraw/zinc/56/33/04/893563304.db2.gz VOTQPDIHOWLXLN-LLVKDONJSA-N 0 3 298.318 -1.011 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1CC=CC1)C(N)=O ZINC001496960064 893563419 /nfs/dbraw/zinc/56/34/19/893563419.db2.gz YNNFAYXVYGZNGE-WPRPVWTQSA-N 0 3 255.318 -1.107 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C1=CCCC1 ZINC001496962820 893563539 /nfs/dbraw/zinc/56/35/39/893563539.db2.gz DENBFVSZMSKIEL-SNVBAGLBSA-N 0 3 298.343 -1.381 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001496961990 893563760 /nfs/dbraw/zinc/56/37/60/893563760.db2.gz SRVVDECVMOWDRF-RKDXNWHRSA-N 0 3 282.300 -1.448 20 0 CAADHN CC[C@@H](SC)C(=O)NC[C@H](O)CNCC(N)=O ZINC001496965389 893563853 /nfs/dbraw/zinc/56/38/53/893563853.db2.gz OTRMHNAAQCNTIB-HTQZYQBOSA-N 0 3 263.363 -1.320 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)Cc2ccon2)C1=O ZINC001496958193 893563892 /nfs/dbraw/zinc/56/38/92/893563892.db2.gz OSQHCBAASMUQTI-WDEREUQCSA-N 0 3 296.327 -1.486 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C1=CCCC1 ZINC001496962819 893564110 /nfs/dbraw/zinc/56/41/10/893564110.db2.gz DENBFVSZMSKIEL-JTQLQIEISA-N 0 3 298.343 -1.381 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)C1CC1 ZINC001496961098 893564563 /nfs/dbraw/zinc/56/45/63/893564563.db2.gz MIFZQEIWOJYOHA-PSASIEDQSA-N 0 3 257.334 -1.155 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CC1OCCCO1 ZINC001496968193 893564591 /nfs/dbraw/zinc/56/45/91/893564591.db2.gz KIZBSWNYAJZQGF-MRVPVSSYSA-N 0 3 275.305 -2.309 20 0 CAADHN C/C=C(/C)C(=O)NC[C@H](O)CN[C@H]1CCC(=O)NC1=O ZINC001496965777 893564836 /nfs/dbraw/zinc/56/48/36/893564836.db2.gz HLJSYLGRDCOKSF-IVIAJXKQSA-N 0 3 283.328 -1.176 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)n1 ZINC001496976846 893566074 /nfs/dbraw/zinc/56/60/74/893566074.db2.gz HCZZRTLTMJVTDC-IUCAKERBSA-N 0 3 296.331 -2.226 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnn(C)c1N ZINC001496970884 893566763 /nfs/dbraw/zinc/56/67/63/893566763.db2.gz ZGUNDDNOUXSRBP-QMMMGPOBSA-N 0 3 298.347 -2.229 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)CC1(O)CCC1)C(N)=O ZINC001496978841 893566796 /nfs/dbraw/zinc/56/67/96/893566796.db2.gz APURESIQPXGCLD-UWVGGRQHSA-N 0 3 287.360 -1.378 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001496978108 893566858 /nfs/dbraw/zinc/56/68/58/893566858.db2.gz VZAPVKSYJKZROA-HTQZYQBOSA-N 0 3 279.287 -1.204 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001496976661 893567127 /nfs/dbraw/zinc/56/71/27/893567127.db2.gz PBGGMOHIDXYINM-RKDXNWHRSA-N 0 3 298.347 -2.028 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)C1 ZINC001496970704 893567743 /nfs/dbraw/zinc/56/77/43/893567743.db2.gz MDRHGYRNMKYQHE-WDEREUQCSA-N 0 3 298.343 -2.580 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)n1 ZINC001496977084 893567814 /nfs/dbraw/zinc/56/78/14/893567814.db2.gz JPDNVCJREPVUHK-IUCAKERBSA-N 0 3 296.331 -2.274 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(C)nn1 ZINC001496979479 893568176 /nfs/dbraw/zinc/56/81/76/893568176.db2.gz IGGUVHVQHYDZAR-SNVBAGLBSA-N 0 3 295.343 -1.399 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)CC1(O)CCC1)C(N)=O ZINC001496978843 893568375 /nfs/dbraw/zinc/56/83/75/893568375.db2.gz APURESIQPXGCLD-ZJUUUORDSA-N 0 3 287.360 -1.378 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)C1 ZINC001496970699 893568824 /nfs/dbraw/zinc/56/88/24/893568824.db2.gz MDRHGYRNMKYQHE-GHMZBOCLSA-N 0 3 298.343 -2.580 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001496978110 893569126 /nfs/dbraw/zinc/56/91/26/893569126.db2.gz VZAPVKSYJKZROA-SFYZADRCSA-N 0 3 279.287 -1.204 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)n1 ZINC001496977083 893569315 /nfs/dbraw/zinc/56/93/15/893569315.db2.gz JPDNVCJREPVUHK-DTWKUNHWSA-N 0 3 296.331 -2.274 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccc(C)nn1 ZINC001496979478 893569408 /nfs/dbraw/zinc/56/94/08/893569408.db2.gz IGGUVHVQHYDZAR-JTQLQIEISA-N 0 3 295.343 -1.399 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001496978109 893569599 /nfs/dbraw/zinc/56/95/99/893569599.db2.gz VZAPVKSYJKZROA-JGVFFNPUSA-N 0 3 279.287 -1.204 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001496976659 893569889 /nfs/dbraw/zinc/56/98/89/893569889.db2.gz PBGGMOHIDXYINM-IUCAKERBSA-N 0 3 298.347 -2.028 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001496987786 893570523 /nfs/dbraw/zinc/57/05/23/893570523.db2.gz YWFSHUPYNWDEIT-SCZZXKLOSA-N 0 3 283.332 -2.097 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1=O ZINC001496979856 893570911 /nfs/dbraw/zinc/57/09/11/893570911.db2.gz KMYVUKOGRSBDAU-ZJUUUORDSA-N 0 3 295.343 -1.289 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1=O ZINC001496979853 893570964 /nfs/dbraw/zinc/57/09/64/893570964.db2.gz KMYVUKOGRSBDAU-NXEZZACHSA-N 0 3 295.343 -1.289 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1c[nH]cn1)C(N)=O ZINC001496990214 893571063 /nfs/dbraw/zinc/57/10/63/893571063.db2.gz KSFISYITEBIKGB-WPRPVWTQSA-N 0 3 283.332 -1.717 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1(F)CCOCC1 ZINC001496989413 893571531 /nfs/dbraw/zinc/57/15/31/893571531.db2.gz BURPMQFWSINCOW-MRVPVSSYSA-N 0 3 277.296 -1.943 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cc[nH]c1)C(N)=O ZINC001496986824 893571678 /nfs/dbraw/zinc/57/16/78/893571678.db2.gz XBCCJXOMGGFFQM-ZJUUUORDSA-N 0 3 268.317 -1.041 20 0 CAADHN Cn1ccc(CC(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001496985510 893572298 /nfs/dbraw/zinc/57/22/98/893572298.db2.gz SEBTXLMTKHTBSI-GHMZBOCLSA-N 0 3 295.343 -2.082 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cc[nH]c1)N1CCC1 ZINC001496982166 893572332 /nfs/dbraw/zinc/57/23/32/893572332.db2.gz HRZIORYGLFERAY-LLVKDONJSA-N 0 3 280.328 -1.073 20 0 CAADHN Cn1ccc(CC(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001496985525 893572360 /nfs/dbraw/zinc/57/23/60/893572360.db2.gz SEBTXLMTKHTBSI-WDEREUQCSA-N 0 3 295.343 -2.082 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CNC(=O)c2ncc[nH]2)C1=O ZINC001496979855 893572639 /nfs/dbraw/zinc/57/26/39/893572639.db2.gz KMYVUKOGRSBDAU-VHSXEESVSA-N 0 3 295.343 -1.289 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cc[nH]c1)C(N)=O ZINC001496986822 893573228 /nfs/dbraw/zinc/57/32/28/893573228.db2.gz XBCCJXOMGGFFQM-VHSXEESVSA-N 0 3 268.317 -1.041 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)nn1 ZINC001496980371 893573865 /nfs/dbraw/zinc/57/38/65/893573865.db2.gz NRUQGQNXIAMRDE-RKDXNWHRSA-N 0 3 281.316 -1.661 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1(C(F)F)CC1 ZINC001496984939 893574070 /nfs/dbraw/zinc/57/40/70/893574070.db2.gz RCUBVNDOZBLODE-ZCFIWIBFSA-N 0 3 265.260 -1.416 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)nn1 ZINC001496980370 893574602 /nfs/dbraw/zinc/57/46/02/893574602.db2.gz NRUQGQNXIAMRDE-IUCAKERBSA-N 0 3 281.316 -1.661 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001496999180 893575512 /nfs/dbraw/zinc/57/55/12/893575512.db2.gz SYKSMDOFZLHUKU-SFYZADRCSA-N 0 3 297.315 -2.666 20 0 CAADHN Cc1ncc(CC(=O)NC[C@@H](O)CNCC(N)=O)o1 ZINC001496994303 893575657 /nfs/dbraw/zinc/57/56/57/893575657.db2.gz GFPSLRBCOAORNO-QMMMGPOBSA-N 0 3 270.289 -1.922 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001496991909 893575688 /nfs/dbraw/zinc/57/56/88/893575688.db2.gz FODKDXFDWLQGND-MRVPVSSYSA-N 0 3 288.348 -2.347 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NC[C@@H](O)CNCCF ZINC001496998418 893576068 /nfs/dbraw/zinc/57/60/68/893576068.db2.gz YUZPCDOSGYFXHN-IUCAKERBSA-N 0 3 261.297 -1.451 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1c(C)ncn1C ZINC001496996764 893576121 /nfs/dbraw/zinc/57/61/21/893576121.db2.gz ZMCXBJYSQHRWFQ-VHSXEESVSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1ccn(C)n1 ZINC001496993848 893576751 /nfs/dbraw/zinc/57/67/51/893576751.db2.gz UKIBMXAUSCSNAM-LLVKDONJSA-N 0 3 297.359 -1.835 20 0 CAADHN CCOCC[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001497002185 893576796 /nfs/dbraw/zinc/57/67/96/893576796.db2.gz KMSFAWVQUWYMER-SECBINFHSA-N 0 3 284.316 -1.101 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)C(C)(C)C(N)=O)cn1 ZINC001496998563 893576992 /nfs/dbraw/zinc/57/69/92/893576992.db2.gz OQBLIOMBRXCCTL-SNVBAGLBSA-N 0 3 297.359 -1.502 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1c(C)ncn1C ZINC001496996763 893577940 /nfs/dbraw/zinc/57/79/40/893577940.db2.gz ZMCXBJYSQHRWFQ-UWVGGRQHSA-N 0 3 297.359 -1.457 20 0 CAADHN O=C(NC[C@H](O)C[NH2+]CCO)c1cc(=O)[n-]c(C2CC2)n1 ZINC001496993000 893578440 /nfs/dbraw/zinc/57/84/40/893578440.db2.gz JAFDAFNSJMQBIY-SECBINFHSA-N 0 3 296.327 -1.268 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc2cnccc2o1 ZINC001497009130 893579701 /nfs/dbraw/zinc/57/97/01/893579701.db2.gz OYCVGWIOMFQOPU-VIFPVBQESA-N 0 3 292.295 -1.007 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1csnn1)N1CCC1 ZINC001497025331 893580217 /nfs/dbraw/zinc/58/02/17/893580217.db2.gz KSUPAKWDUPGNFQ-QMMMGPOBSA-N 0 3 299.356 -1.549 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccnnc1C ZINC001497009497 893580394 /nfs/dbraw/zinc/58/03/94/893580394.db2.gz UDBVLVUGHPCPBI-NXEZZACHSA-N 0 3 295.343 -1.400 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc2cnccc2o1 ZINC001497009125 893580568 /nfs/dbraw/zinc/58/05/68/893580568.db2.gz OYCVGWIOMFQOPU-SECBINFHSA-N 0 3 292.295 -1.007 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001497012028 893581270 /nfs/dbraw/zinc/58/12/70/893581270.db2.gz GYTICIZZLJCYSC-CMPLNLGQSA-N 0 3 293.323 -1.458 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccn(C)c(=O)c1)C(N)=O ZINC001497013153 893581828 /nfs/dbraw/zinc/58/18/28/893581828.db2.gz WDZLCBPCHABWLV-SCZZXKLOSA-N 0 3 296.327 -2.061 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCC(F)F ZINC001497018911 893582196 /nfs/dbraw/zinc/58/21/96/893582196.db2.gz DWADVBNRXRGMOJ-SSDOTTSWSA-N 0 3 267.276 -1.156 20 0 CAADHN CN(C)c1ccc(C(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001497006339 893582280 /nfs/dbraw/zinc/58/22/80/893582280.db2.gz RFQRBFCDZPMCRG-SNVBAGLBSA-N 0 3 295.343 -1.687 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001497009959 893582805 /nfs/dbraw/zinc/58/28/05/893582805.db2.gz JMCKSLOQIYJYPD-KOLCDFICSA-N 0 3 295.343 -2.003 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001497012030 893582839 /nfs/dbraw/zinc/58/28/39/893582839.db2.gz GYTICIZZLJCYSC-PWSUYJOCSA-N 0 3 293.323 -1.458 20 0 CAADHN CC[C@@H](F)CNC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001497033942 893583492 /nfs/dbraw/zinc/58/34/92/893583492.db2.gz UJFLJWNPFQFDAA-SFYZADRCSA-N 0 3 274.300 -1.362 20 0 CAADHN Cc1ccn([C@@H](C)CC(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001497031732 893583597 /nfs/dbraw/zinc/58/35/97/893583597.db2.gz FBQGLMQJZXCCDH-QWRGUYRKSA-N 0 3 297.359 -1.305 20 0 CAADHN C[C@]1(C(=O)NC[C@H](O)CNCC(N)=O)C=CCC1 ZINC001497034879 893583667 /nfs/dbraw/zinc/58/36/67/893583667.db2.gz ZBRHJBVHUFAKMC-SKDRFNHKSA-N 0 3 255.318 -1.105 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001497032832 893583781 /nfs/dbraw/zinc/58/37/81/893583781.db2.gz MCCVRHHABIGRBR-JGVFFNPUSA-N 0 3 299.335 -2.633 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1ccccn1)C(N)=O ZINC001497032481 893584015 /nfs/dbraw/zinc/58/40/15/893584015.db2.gz JYGVOTSELUSXJS-ZYHUDNBSSA-N 0 3 294.355 -1.045 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1ccccn1)C(N)=O ZINC001497032479 893584106 /nfs/dbraw/zinc/58/41/06/893584106.db2.gz JYGVOTSELUSXJS-PWSUYJOCSA-N 0 3 294.355 -1.045 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001497034590 893584137 /nfs/dbraw/zinc/58/41/37/893584137.db2.gz QEVDEMIVVMSKEB-KXUCPTDWSA-N 0 3 257.334 -1.203 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCNC1=O)NC1CC1 ZINC001497034193 893584427 /nfs/dbraw/zinc/58/44/27/893584427.db2.gz ODUKBXDXLQNOBH-UWVGGRQHSA-N 0 3 298.343 -2.532 20 0 CAADHN Cc1cncc(CC(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001497025890 893584463 /nfs/dbraw/zinc/58/44/63/893584463.db2.gz VDIKYJMTRAQAAU-LLVKDONJSA-N 0 3 280.328 -1.515 20 0 CAADHN Cc1nccc(CCC(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001497025927 893584607 /nfs/dbraw/zinc/58/46/07/893584607.db2.gz WBKCLGPSWWAORY-NSHDSACASA-N 0 3 295.343 -1.730 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1ccccn1)C(N)=O ZINC001497032476 893584704 /nfs/dbraw/zinc/58/47/04/893584704.db2.gz JYGVOTSELUSXJS-JQWIXIFHSA-N 0 3 294.355 -1.045 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)c1ccn2nnnc2c1 ZINC001497034245 893584851 /nfs/dbraw/zinc/58/48/51/893584851.db2.gz VUGTVIGGXOADLQ-VIFPVBQESA-N 0 3 282.279 -1.226 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001497033115 893585433 /nfs/dbraw/zinc/58/54/33/893585433.db2.gz IFOVKAMUHZMPSZ-MNOVXSKESA-N 0 3 295.343 -1.877 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001497033113 893585464 /nfs/dbraw/zinc/58/54/64/893585464.db2.gz IFOVKAMUHZMPSZ-GHMZBOCLSA-N 0 3 295.343 -1.877 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001497031438 893585871 /nfs/dbraw/zinc/58/58/71/893585871.db2.gz DFCWIHOZHSQJJO-BDAKNGLRSA-N 0 3 283.332 -1.717 20 0 CAADHN CC[C@H](F)CNC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001497033940 893586197 /nfs/dbraw/zinc/58/61/97/893586197.db2.gz UJFLJWNPFQFDAA-JGVFFNPUSA-N 0 3 274.300 -1.362 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1ccccn1)C(N)=O ZINC001497032470 893586293 /nfs/dbraw/zinc/58/62/93/893586293.db2.gz JYGVOTSELUSXJS-CMPLNLGQSA-N 0 3 294.355 -1.045 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cnco2)n[nH]1 ZINC001497030989 893586371 /nfs/dbraw/zinc/58/63/71/893586371.db2.gz WCIPAOQNEQIEIH-MRVPVSSYSA-N 0 3 280.288 -1.018 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001497033121 893586657 /nfs/dbraw/zinc/58/66/57/893586657.db2.gz IFOVKAMUHZMPSZ-WDEREUQCSA-N 0 3 295.343 -1.877 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001497032836 893586785 /nfs/dbraw/zinc/58/67/85/893586785.db2.gz MCCVRHHABIGRBR-YUMQZZPRSA-N 0 3 299.335 -2.633 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001497032826 893586872 /nfs/dbraw/zinc/58/68/72/893586872.db2.gz MCCVRHHABIGRBR-HTQZYQBOSA-N 0 3 299.335 -2.633 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CCn1ccnc1 ZINC001497027389 893587086 /nfs/dbraw/zinc/58/70/86/893587086.db2.gz DUROEBPVZPYSPQ-MNOVXSKESA-N 0 3 297.359 -1.526 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001497037072 893588047 /nfs/dbraw/zinc/58/80/47/893588047.db2.gz KCPQARPAUBQQRC-DCQANWLSSA-N 0 3 299.371 -1.576 20 0 CAADHN CN1CCC[C@H](NC[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001497047236 893589869 /nfs/dbraw/zinc/58/98/69/893589869.db2.gz MVLPGSCIFSFMDE-YUMQZZPRSA-N 0 3 272.305 -2.841 20 0 CAADHN CC(C)(C(=O)NC[C@@H](O)CNCC(N)=O)C(F)F ZINC001497047013 893590248 /nfs/dbraw/zinc/59/02/48/893590248.db2.gz QDBOVEUOUUDKTL-LURJTMIESA-N 0 3 267.276 -1.170 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001497035777 893590143 /nfs/dbraw/zinc/59/01/43/893590143.db2.gz AXQFMJJLAJEHIV-ZIQFBCGOSA-N 0 3 297.355 -1.824 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1cc(C)on1 ZINC001497054739 893592211 /nfs/dbraw/zinc/59/22/11/893592211.db2.gz RJCUYPAVJJHQSK-NSHDSACASA-N 0 3 298.343 -1.272 20 0 CAADHN NC(=O)C(=O)NC[C@H](O)CNCc1ccccc1F ZINC001497049123 893592694 /nfs/dbraw/zinc/59/26/94/893592694.db2.gz SEJFTTDSUDEGRT-SECBINFHSA-N 0 3 269.276 -1.122 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001497061440 893593050 /nfs/dbraw/zinc/59/30/50/893593050.db2.gz ANYONVFJTHECJG-GHMZBOCLSA-N 0 3 295.343 -1.853 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@H](O)CNCCF)[nH]1 ZINC001497058088 893593110 /nfs/dbraw/zinc/59/31/10/893593110.db2.gz NTDZXCIGEYTBDK-SSDOTTSWSA-N 0 3 272.280 -1.237 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001497055381 893593467 /nfs/dbraw/zinc/59/34/67/893593467.db2.gz XWZADBGXEJKRFC-SNVBAGLBSA-N 0 3 269.345 -1.011 20 0 CAADHN CS(=O)(=O)CCNC[C@@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001497061256 893594004 /nfs/dbraw/zinc/59/40/04/893594004.db2.gz FYVPCNGEDUJKFM-ZJUUUORDSA-N 0 3 290.385 -1.102 20 0 CAADHN CN(CC1CC1)C(=O)CNC[C@@H](O)CNC(=O)C(N)=O ZINC001497050771 893594138 /nfs/dbraw/zinc/59/41/38/893594138.db2.gz ZZTXAQAJEUUMJK-SECBINFHSA-N 0 3 286.332 -2.593 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1conc1C)C(N)=O ZINC001497049152 893594277 /nfs/dbraw/zinc/59/42/77/893594277.db2.gz SIYQZCZRMFYHMH-SCZZXKLOSA-N 0 3 284.316 -1.073 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001497055380 893594560 /nfs/dbraw/zinc/59/45/60/893594560.db2.gz XWZADBGXEJKRFC-JTQLQIEISA-N 0 3 269.345 -1.011 20 0 CAADHN CC(F)(F)C1(C(=O)NC[C@H](O)CNCC(N)=O)CC1 ZINC001497058277 893595053 /nfs/dbraw/zinc/59/50/53/893595053.db2.gz OSYIAXXAIYHVDJ-SSDOTTSWSA-N 0 3 279.287 -1.026 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001497064619 893596291 /nfs/dbraw/zinc/59/62/91/893596291.db2.gz PPZWMSQOYHOTKU-ZJUUUORDSA-N 0 3 283.332 -1.868 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cccnn1)C(N)=O ZINC001497076500 893596496 /nfs/dbraw/zinc/59/64/96/893596496.db2.gz AUNAINBUTGGTQO-DTWKUNHWSA-N 0 3 281.316 -1.579 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cccnn1)C(N)=O ZINC001497076504 893596736 /nfs/dbraw/zinc/59/67/36/893596736.db2.gz AUNAINBUTGGTQO-RKDXNWHRSA-N 0 3 281.316 -1.579 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001497070934 893596948 /nfs/dbraw/zinc/59/69/48/893596948.db2.gz QLYJVNSIYMPEAA-QMMMGPOBSA-N 0 3 284.320 -2.369 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)n1 ZINC001497068308 893597196 /nfs/dbraw/zinc/59/71/96/893597196.db2.gz MZHJBUHTXVEEOK-VHSXEESVSA-N 0 3 295.343 -1.371 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001497070537 893597264 /nfs/dbraw/zinc/59/72/64/893597264.db2.gz ORMOGRWMTVCXNZ-JTQLQIEISA-N 0 3 293.331 -1.571 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnon1)C(=O)N(C)C ZINC001497076480 893597349 /nfs/dbraw/zinc/59/73/49/893597349.db2.gz AMODHFXRGDZRFU-JGVFFNPUSA-N 0 3 285.304 -1.773 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)COc1cccnc1 ZINC001497075932 893597588 /nfs/dbraw/zinc/59/75/88/893597588.db2.gz LYPWGHUSACFZRN-VIFPVBQESA-N 0 3 282.300 -1.988 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)n1 ZINC001497066940 893597874 /nfs/dbraw/zinc/59/78/74/893597874.db2.gz AZYIXJVPYZVDFO-NXEZZACHSA-N 0 3 295.343 -1.323 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnon1)C(=O)N(C)C ZINC001497076481 893598104 /nfs/dbraw/zinc/59/81/04/893598104.db2.gz AMODHFXRGDZRFU-SFYZADRCSA-N 0 3 285.304 -1.773 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c(C)n1 ZINC001497064304 893598384 /nfs/dbraw/zinc/59/83/84/893598384.db2.gz NEBVZVXTJBJXHM-ZJUUUORDSA-N 0 3 297.359 -1.234 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccnnc1)C(N)=O ZINC001497064275 893598461 /nfs/dbraw/zinc/59/84/61/893598461.db2.gz SJCFBXVNMFKVQX-APPZFPTMSA-N 0 3 267.289 -1.969 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccnnc1)C(N)=O ZINC001497064284 893599260 /nfs/dbraw/zinc/59/92/60/893599260.db2.gz SJCFBXVNMFKVQX-IONNQARKSA-N 0 3 267.289 -1.969 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1nc(C)c[nH]1)C(N)=O ZINC001497067113 893599564 /nfs/dbraw/zinc/59/95/64/893599564.db2.gz DOJHXFXWXPCAMP-RKDXNWHRSA-N 0 3 283.332 -1.338 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001497064908 893599661 /nfs/dbraw/zinc/59/96/61/893599661.db2.gz RKUPCJSFIFMYBK-NSHDSACASA-N 0 3 295.343 -1.749 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001497071904 893599703 /nfs/dbraw/zinc/59/97/03/893599703.db2.gz ZOYKIIBKGBDGPM-VIFPVBQESA-N 0 3 298.347 -1.980 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)Cc2ncc[nH]2)C1=O ZINC001497082031 893600731 /nfs/dbraw/zinc/60/07/31/893600731.db2.gz VJNIHIQOSFTVAT-UWVGGRQHSA-N 0 3 295.343 -1.750 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cccnn1 ZINC001497077886 893600921 /nfs/dbraw/zinc/60/09/21/893600921.db2.gz HAYMUAUKRBTCAS-MRVPVSSYSA-N 0 3 267.289 -2.097 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001497079313 893600971 /nfs/dbraw/zinc/60/09/71/893600971.db2.gz WBDKECRXKXFAAZ-SECBINFHSA-N 0 3 299.331 -1.383 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCn1cnccc1=O ZINC001497080132 893601210 /nfs/dbraw/zinc/60/12/10/893601210.db2.gz HCOBRFBOIUZILH-VIFPVBQESA-N 0 3 297.315 -2.815 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ncccn1 ZINC001497078987 893601298 /nfs/dbraw/zinc/60/12/98/893601298.db2.gz TWECSBZRRGXNHD-QMMMGPOBSA-N 0 3 267.289 -2.097 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnon1 ZINC001497077899 893601535 /nfs/dbraw/zinc/60/15/35/893601535.db2.gz HCSNUKPCSVRQHT-RQJHMYQMSA-N 0 3 271.277 -2.116 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cccnn1 ZINC001497079175 893601608 /nfs/dbraw/zinc/60/16/08/893601608.db2.gz VQXLTMAWTXHBFU-SNVBAGLBSA-N 0 3 295.343 -1.317 20 0 CAADHN Cc1conc1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001497082704 893602039 /nfs/dbraw/zinc/60/20/39/893602039.db2.gz OIKUOQWIKQMOTF-ZJUUUORDSA-N 0 3 296.327 -1.058 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cccnn1 ZINC001497077888 893602195 /nfs/dbraw/zinc/60/21/95/893602195.db2.gz HAYMUAUKRBTCAS-QMMMGPOBSA-N 0 3 267.289 -2.097 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ncccc1F ZINC001497081381 893602226 /nfs/dbraw/zinc/60/22/26/893602226.db2.gz RRDLIUNHPJHYGY-MRVPVSSYSA-N 0 3 284.291 -1.353 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001497080599 893602527 /nfs/dbraw/zinc/60/25/27/893602527.db2.gz NHEUDDDHRATWQX-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)Cc2ncc[nH]2)C1=O ZINC001497082033 893602554 /nfs/dbraw/zinc/60/25/54/893602554.db2.gz VJNIHIQOSFTVAT-ZJUUUORDSA-N 0 3 295.343 -1.750 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnon1 ZINC001497077897 893602594 /nfs/dbraw/zinc/60/25/94/893602594.db2.gz HCSNUKPCSVRQHT-RNFRBKRXSA-N 0 3 271.277 -2.116 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ncoc1C1CC1 ZINC001497081449 893602649 /nfs/dbraw/zinc/60/26/49/893602649.db2.gz HRNWZGJDDOABTM-SECBINFHSA-N 0 3 296.327 -1.022 20 0 CAADHN O=C(Cc1ncc[nH]1)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001497082039 893602685 /nfs/dbraw/zinc/60/26/85/893602685.db2.gz VMRCGDAJSQNIBY-SNVBAGLBSA-N 0 3 295.343 -1.749 20 0 CAADHN Cc1c[nH]cc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001497113964 893603931 /nfs/dbraw/zinc/60/39/31/893603931.db2.gz NFAISLBHIPDANW-KOLCDFICSA-N 0 3 280.328 -1.108 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)Cn2cncn2)cn1 ZINC001497113349 893604099 /nfs/dbraw/zinc/60/40/99/893604099.db2.gz ITKYGGZBMKKNAB-LLVKDONJSA-N 0 3 293.331 -1.722 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](O)CNCCF)CCC1 ZINC001497097471 893604265 /nfs/dbraw/zinc/60/42/65/893604265.db2.gz RIOMEWBXIHUDBY-VIFPVBQESA-N 0 3 275.324 -1.061 20 0 CAADHN O=C(Cn1cncn1)NC[C@H](O)CNCc1ccccn1 ZINC001497111799 893604281 /nfs/dbraw/zinc/60/42/81/893604281.db2.gz DEUWNXJFUHNIRI-GFCCVEGCSA-N 0 3 290.327 -1.060 20 0 CAADHN CC(C)(C)C(=O)NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O ZINC001497096951 893604313 /nfs/dbraw/zinc/60/43/13/893604313.db2.gz QJZFWEHPQFNFBI-RKDXNWHRSA-N 0 3 285.344 -1.096 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](O)CNCC(N)=O)CCC1 ZINC001497095331 893604483 /nfs/dbraw/zinc/60/44/83/893604483.db2.gz KNBACTPCOOIKKV-QMMMGPOBSA-N 0 3 286.332 -2.545 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cn1ccccc1=O)C(N)=O ZINC001497112282 893604499 /nfs/dbraw/zinc/60/44/99/893604499.db2.gz DZPZXZHHONHWHA-UWVGGRQHSA-N 0 3 296.327 -2.211 20 0 CAADHN Cc1c[nH]cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001497114043 893604573 /nfs/dbraw/zinc/60/45/73/893604573.db2.gz OPMBLTJXUIEEJM-MRVPVSSYSA-N 0 3 254.290 -1.511 20 0 CAADHN CC(C)(C)C(=O)NC[C@H](O)CN[C@H]1CCC(=O)NC1=O ZINC001497096942 893604702 /nfs/dbraw/zinc/60/47/02/893604702.db2.gz QJZFWEHPQFNFBI-BDAKNGLRSA-N 0 3 285.344 -1.096 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccnc(C)n1)C(N)=O ZINC001497109689 893604766 /nfs/dbraw/zinc/60/47/66/893604766.db2.gz HQPJJEKBPAJGLL-VHSXEESVSA-N 0 3 295.343 -1.271 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)Cn1cncn1 ZINC001497110942 893604853 /nfs/dbraw/zinc/60/48/53/893604853.db2.gz AGGQUPJJGYAFPL-JTQLQIEISA-N 0 3 298.347 -2.177 20 0 CAADHN O=C(Cn1cncn1)NC[C@@H](O)CNCc1ccccn1 ZINC001497111801 893604872 /nfs/dbraw/zinc/60/48/72/893604872.db2.gz DEUWNXJFUHNIRI-LBPRGKRZSA-N 0 3 290.327 -1.060 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)Cn2cncn2)n[nH]1 ZINC001497113784 893604893 /nfs/dbraw/zinc/60/48/93/893604893.db2.gz LRMUWDORALQXJK-SECBINFHSA-N 0 3 294.319 -2.028 20 0 CAADHN Cn1nncc1CNC[C@@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001497091702 893605028 /nfs/dbraw/zinc/60/50/28/893605028.db2.gz TXHVGTCSEIRHSD-SECBINFHSA-N 0 3 294.319 -2.257 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001497110943 893605126 /nfs/dbraw/zinc/60/51/26/893605126.db2.gz AGGQUPJJGYAFPL-SNVBAGLBSA-N 0 3 298.347 -2.177 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccnc(C)n1)C(N)=O ZINC001497109687 893605463 /nfs/dbraw/zinc/60/54/63/893605463.db2.gz HQPJJEKBPAJGLL-UWVGGRQHSA-N 0 3 295.343 -1.271 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1cncn1C)C(N)=O ZINC001497103413 893605493 /nfs/dbraw/zinc/60/54/93/893605493.db2.gz COYYMDIQFGUEFU-MWLCHTKSSA-N 0 3 297.359 -1.707 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CS(=O)(=O)NC ZINC001497111128 893605720 /nfs/dbraw/zinc/60/57/20/893605720.db2.gz PHSZSIAHWCHZHJ-SSDOTTSWSA-N 0 3 296.349 -3.652 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1ccc(C)nc1 ZINC001497111074 893605887 /nfs/dbraw/zinc/60/58/87/893605887.db2.gz OSUHVQCRBMABSQ-LBPRGKRZSA-N 0 3 294.355 -1.255 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1cncn1C)C(N)=O ZINC001497103414 893605924 /nfs/dbraw/zinc/60/59/24/893605924.db2.gz COYYMDIQFGUEFU-ONGXEEELSA-N 0 3 297.359 -1.707 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cn1ccccc1=O)C(N)=O ZINC001497112269 893606126 /nfs/dbraw/zinc/60/61/26/893606126.db2.gz DZPZXZHHONHWHA-NXEZZACHSA-N 0 3 296.327 -2.211 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](O)CNCc1nncn1C ZINC001497115908 893607338 /nfs/dbraw/zinc/60/73/38/893607338.db2.gz ANAYOIBSLXRDHN-LLVKDONJSA-N 0 3 298.391 -1.278 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)Cn2ccnc2)cn1 ZINC001497126977 893607662 /nfs/dbraw/zinc/60/76/62/893607662.db2.gz PVSILQCTIHHRFT-GFCCVEGCSA-N 0 3 292.343 -1.117 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)nn1C(C)C ZINC001497126682 893607974 /nfs/dbraw/zinc/60/79/74/893607974.db2.gz IPYQVTFIALFNBE-JTQLQIEISA-N 0 3 297.359 -1.062 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ncc2n1CCCC2 ZINC001497119879 893608062 /nfs/dbraw/zinc/60/80/62/893608062.db2.gz WUHZSZNBUVFGCS-JTQLQIEISA-N 0 3 295.343 -1.615 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CNCC(N)=O)sc1C ZINC001497120173 893608243 /nfs/dbraw/zinc/60/82/43/893608243.db2.gz ZBGMRKKEINGEIF-MRVPVSSYSA-N 0 3 286.357 -1.074 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001497120339 893608281 /nfs/dbraw/zinc/60/82/81/893608281.db2.gz YKEJSFKKBXXHIK-HTQZYQBOSA-N 0 3 299.331 -2.722 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cn1ccnc1)C(=O)N(C)C ZINC001497127477 893608347 /nfs/dbraw/zinc/60/83/47/893608347.db2.gz VFGSKRSJDAVLDZ-GHMZBOCLSA-N 0 3 297.359 -1.574 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cn1cncn1 ZINC001497116908 893608456 /nfs/dbraw/zinc/60/84/56/893608456.db2.gz YWDGTOWHGLOUGF-VIFPVBQESA-N 0 3 284.320 -2.519 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001497126302 893608541 /nfs/dbraw/zinc/60/85/41/893608541.db2.gz LTJJSHTVVVSVHW-NSHDSACASA-N 0 3 297.359 -1.572 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1ccc[nH]1 ZINC001497115627 893608590 /nfs/dbraw/zinc/60/85/90/893608590.db2.gz BYQNRFYWXNSJHS-NSHDSACASA-N 0 3 282.344 -1.288 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cn1ccnc1)C(=O)N(C)C ZINC001497127486 893608896 /nfs/dbraw/zinc/60/88/96/893608896.db2.gz VFGSKRSJDAVLDZ-QWRGUYRKSA-N 0 3 297.359 -1.574 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ncc2n1CCCC2 ZINC001497119883 893608936 /nfs/dbraw/zinc/60/89/36/893608936.db2.gz WUHZSZNBUVFGCS-SNVBAGLBSA-N 0 3 295.343 -1.615 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1cn(C)nn1 ZINC001497126151 893609038 /nfs/dbraw/zinc/60/90/38/893609038.db2.gz LJSVAMPNRZOOCY-JTQLQIEISA-N 0 3 298.347 -2.440 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cn1ccnc1)C(N)=O ZINC001497126704 893609220 /nfs/dbraw/zinc/60/92/20/893609220.db2.gz OVKDBZHOEVCBAC-BDAKNGLRSA-N 0 3 269.305 -2.176 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)C1 ZINC001497172513 893611075 /nfs/dbraw/zinc/61/10/75/893611075.db2.gz MLUAKXLKGBHCKJ-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@@H]2CCCN2C(=O)C(N)=O)C1 ZINC001497172514 893611156 /nfs/dbraw/zinc/61/11/56/893611156.db2.gz MLUAKXLKGBHCKJ-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@H]2CCCN2C(=O)C(N)=O)C1 ZINC001497172512 893611233 /nfs/dbraw/zinc/61/12/33/893611233.db2.gz MLUAKXLKGBHCKJ-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN COc1ccc(CNCC[C@H](C)NC(=O)C(N)=O)nn1 ZINC001497260485 893612965 /nfs/dbraw/zinc/61/29/65/893612965.db2.gz VBAHTCBMTQQOMM-QMMMGPOBSA-N 0 3 281.316 -1.045 20 0 CAADHN C[C@H](CCNCc1cnnn1C)NC(=O)[C@@H]1CCNC1=O ZINC001497241427 893613327 /nfs/dbraw/zinc/61/33/27/893613327.db2.gz NWCMHXXIWMMWBH-MWLCHTKSSA-N 0 3 294.359 -1.064 20 0 CAADHN C[C@@H](CCNCc1cnnn1C)NC(=O)[C@@H]1CCNC1=O ZINC001497241425 893613494 /nfs/dbraw/zinc/61/34/94/893613494.db2.gz NWCMHXXIWMMWBH-GXSJLCMTSA-N 0 3 294.359 -1.064 20 0 CAADHN COc1ccc(CNCC[C@@H](C)NC(=O)C(N)=O)nn1 ZINC001497260484 893613770 /nfs/dbraw/zinc/61/37/70/893613770.db2.gz VBAHTCBMTQQOMM-MRVPVSSYSA-N 0 3 281.316 -1.045 20 0 CAADHN C[C@H](CCNCC(=O)Nc1cnccn1)NC(=O)C(N)=O ZINC001497260468 893613998 /nfs/dbraw/zinc/61/39/98/893613998.db2.gz UVGMAUBSTNUDKL-MRVPVSSYSA-N 0 3 294.315 -1.615 20 0 CAADHN CCNC(=O)CNCCN(CC)C(=O)CC(N)=O ZINC001497367677 893617467 /nfs/dbraw/zinc/61/74/67/893617467.db2.gz IFTFQIULVKQONV-UHFFFAOYSA-N 0 3 258.322 -1.564 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cnc2n1CCOC2 ZINC001497404007 893615260 /nfs/dbraw/zinc/61/52/60/893615260.db2.gz RGCGHTKFGJPCIQ-UHFFFAOYSA-N 0 3 295.343 -1.050 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CN1CCOCC1 ZINC001497376664 893615427 /nfs/dbraw/zinc/61/54/27/893615427.db2.gz MFIWLKYGVIZYGE-UHFFFAOYSA-N 0 3 272.349 -1.758 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CCCNC1=O ZINC001497407348 893615930 /nfs/dbraw/zinc/61/59/30/893615930.db2.gz ZRCFOSDUTGJCGL-VIFPVBQESA-N 0 3 270.333 -1.564 20 0 CAADHN CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)c1nnn(C)n1 ZINC001497434906 893616419 /nfs/dbraw/zinc/61/64/19/893616419.db2.gz UUFSXPNKJXRAQU-SECBINFHSA-N 0 3 297.363 -1.262 20 0 CAADHN C[C@@H](CC[NH2+]CC(N)=O)NC(=O)Cc1nnc[n-]1 ZINC001497302757 893616948 /nfs/dbraw/zinc/61/69/48/893616948.db2.gz YJSAWFKZKKEQRC-ZETCQYMHSA-N 0 3 254.294 -1.683 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CCCNC1=O ZINC001497407347 893617340 /nfs/dbraw/zinc/61/73/40/893617340.db2.gz ZRCFOSDUTGJCGL-SECBINFHSA-N 0 3 270.333 -1.564 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1COCCO1 ZINC001497360349 893617611 /nfs/dbraw/zinc/61/76/11/893617611.db2.gz NYRCRSFNBSBKQI-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CCN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CCC(=O)N1 ZINC001497358903 893617702 /nfs/dbraw/zinc/61/77/02/893617702.db2.gz PUNDPFXMRLLBBO-LLVKDONJSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CC[NH2+]CC(N)=O)NC(=O)Cc1nnc[n-]1 ZINC001497302753 893617838 /nfs/dbraw/zinc/61/78/38/893617838.db2.gz YJSAWFKZKKEQRC-SSDOTTSWSA-N 0 3 254.294 -1.683 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)c1cn(C)nn1 ZINC001497381725 893617811 /nfs/dbraw/zinc/61/78/11/893617811.db2.gz PVVJTGKRKAXHMK-QMMMGPOBSA-N 0 3 268.321 -1.259 20 0 CAADHN CC[C@@H](NC/C=C/CNC(=O)CNC(C)=O)C(N)=O ZINC001497518426 893619473 /nfs/dbraw/zinc/61/94/73/893619473.db2.gz IDMWYWNFXYZMIY-ORAHPGNNSA-N 0 3 270.333 -1.352 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001497454087 893619689 /nfs/dbraw/zinc/61/96/89/893619689.db2.gz HYDULWNTFWLSNI-OUAUKWLOSA-N 0 3 296.371 -1.176 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1CCNC1=O ZINC001497436117 893619928 /nfs/dbraw/zinc/61/99/28/893619928.db2.gz HPACGTUVSLWITR-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H](C(=O)NCCN(C(=O)C(N)=O)C1CC1)N(C)C ZINC001497474392 893620277 /nfs/dbraw/zinc/62/02/77/893620277.db2.gz JSNNCHQSXGPKMK-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001497454089 893620516 /nfs/dbraw/zinc/62/05/16/893620516.db2.gz HYDULWNTFWLSNI-VWYCJHECSA-N 0 3 296.371 -1.176 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H](COC)OC ZINC001497452085 893620920 /nfs/dbraw/zinc/62/09/20/893620920.db2.gz ZAHDSEZNRYVTPG-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)Cn1ccnc1 ZINC001497506133 893621024 /nfs/dbraw/zinc/62/10/24/893621024.db2.gz HVPCKHJEDWBIBS-UHFFFAOYSA-N 0 3 296.331 -1.484 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)[C@H]1CCN(C)C1=O ZINC001497438447 893621209 /nfs/dbraw/zinc/62/12/09/893621209.db2.gz AGCUWMALPGNKAE-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H](COC)OC ZINC001497452089 893621276 /nfs/dbraw/zinc/62/12/76/893621276.db2.gz ZAHDSEZNRYVTPG-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H](COC)OC ZINC001497452083 893621376 /nfs/dbraw/zinc/62/13/76/893621376.db2.gz ZAHDSEZNRYVTPG-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN O=C(CN1CCOCC1)NC/C=C/CN[C@@H]1CCNC1=O ZINC001497563879 893622919 /nfs/dbraw/zinc/62/29/19/893622919.db2.gz UKISDCDPHUJZFA-YYRQZUAOSA-N 0 3 296.371 -1.531 20 0 CAADHN Cn1cc(C(=O)NC/C=C/CN[C@@H]2CCN(C)C2=O)nn1 ZINC001497575325 893623437 /nfs/dbraw/zinc/62/34/37/893623437.db2.gz IAMTUOVQQJYAKO-HMDXOVGESA-N 0 3 292.343 -1.079 20 0 CAADHN Cn1cc(C(=O)NC/C=C\CN[C@@H]2CCN(C)C2=O)nn1 ZINC001497575327 893623609 /nfs/dbraw/zinc/62/36/09/893623609.db2.gz IAMTUOVQQJYAKO-UMBAGQNISA-N 0 3 292.343 -1.079 20 0 CAADHN Cn1cc(C(=O)NC/C=C\CN[C@H]2CCN(C)C2=O)nn1 ZINC001497575329 893623845 /nfs/dbraw/zinc/62/38/45/893623845.db2.gz IAMTUOVQQJYAKO-XOULXFPDSA-N 0 3 292.343 -1.079 20 0 CAADHN CCC(=O)NCC(=O)NC/C=C/CN[C@H](C)C(=O)NC ZINC001497550113 893624999 /nfs/dbraw/zinc/62/49/99/893624999.db2.gz XTDHLEVBRGXELP-BRAIEQGRSA-N 0 3 284.360 -1.091 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C/CNC(=O)[C@H](C)NC(N)=O ZINC001497566228 893624886 /nfs/dbraw/zinc/62/48/86/893624886.db2.gz IFAFCHAHUMDNQA-VJIGKBMESA-N 0 3 285.348 -1.560 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NC/C=C/CNC(=O)C(N)=O ZINC001497668968 893626471 /nfs/dbraw/zinc/62/64/71/893626471.db2.gz JVMVALODGYJBRT-ORAHPGNNSA-N 0 3 284.360 -1.106 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001497662782 893626823 /nfs/dbraw/zinc/62/68/23/893626823.db2.gz YJHOVWPCTFHALA-UFUPEUMYSA-N 0 3 279.300 -1.481 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001497662783 893626906 /nfs/dbraw/zinc/62/69/06/893626906.db2.gz YJHOVWPCTFHALA-YAJNLLPGSA-N 0 3 279.300 -1.481 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)C(C)(C)C(N)=O)C(N)=O ZINC001497602388 893627374 /nfs/dbraw/zinc/62/73/74/893627374.db2.gz PMCPJRABKIFYEA-WTSVBCDHSA-N 0 3 270.333 -1.366 20 0 CAADHN CC[C@H](NC/C=C\CNC(=O)[C@H]1CC(=O)N(C)C1)C(N)=O ZINC001497596240 893627601 /nfs/dbraw/zinc/62/76/01/893627601.db2.gz AXMRPCXKSXWPGN-XXJOZFEBSA-N 0 3 296.371 -1.009 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)CN1CCCNC1=O)C(N)=O ZINC001497622893 893627895 /nfs/dbraw/zinc/62/78/95/893627895.db2.gz HOKBRKPNYSOEGJ-ZMWSMAPVSA-N 0 3 297.359 -1.463 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001497602882 893627969 /nfs/dbraw/zinc/62/79/69/893627969.db2.gz ZUYJOXSWWAXIGF-CDAZIORVSA-N 0 3 293.327 -1.470 20 0 CAADHN NC(=O)C(=O)NC/C=C\CN[C@H]1CCCNC1=O ZINC001497666611 893628245 /nfs/dbraw/zinc/62/82/45/893628245.db2.gz BDBYYCXOCDUTDI-JQSQLHRZSA-N 0 3 254.290 -1.988 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@H]1CCNC1=O)C(N)=O ZINC001497649302 893628254 /nfs/dbraw/zinc/62/82/54/893628254.db2.gz HVENNLWEUGZWBD-NFLJOPSSSA-N 0 3 268.317 -1.742 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@H]1CCNC1=O)C(N)=O ZINC001497649295 893628333 /nfs/dbraw/zinc/62/83/33/893628333.db2.gz HVENNLWEUGZWBD-AHQHDXANSA-N 0 3 268.317 -1.742 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CCCNC1=O ZINC001497599172 893628341 /nfs/dbraw/zinc/62/83/41/893628341.db2.gz AOSFWQIRWBNAGZ-WZQADMAKSA-N 0 3 296.371 -1.091 20 0 CAADHN CC[C@H](NC/C=C/CNC(=O)[C@H]1CC(=O)N(C)C1)C(N)=O ZINC001497596239 893628372 /nfs/dbraw/zinc/62/83/72/893628372.db2.gz AXMRPCXKSXWPGN-NNOMMRTBSA-N 0 3 296.371 -1.009 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001497602884 893628562 /nfs/dbraw/zinc/62/85/62/893628562.db2.gz ZUYJOXSWWAXIGF-NWALNABHSA-N 0 3 293.327 -1.470 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001497776244 893629677 /nfs/dbraw/zinc/62/96/77/893629677.db2.gz MOGFRGXTVOQBJH-SSDOTTSWSA-N 0 3 284.320 -2.161 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)CCn1cnnn1)C(N)=O ZINC001497714679 893629873 /nfs/dbraw/zinc/62/98/73/893629873.db2.gz PEVRSGBSQTWAAV-XADBCAIWSA-N 0 3 281.320 -1.801 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C\CNC(=O)[C@@H]1CCC(=O)N1 ZINC001497726747 893630214 /nfs/dbraw/zinc/63/02/14/893630214.db2.gz UXENVSGKNCSIIP-QKMQQOOLSA-N 0 3 282.344 -1.339 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)c1cnon1)C(N)=O ZINC001497706956 893630376 /nfs/dbraw/zinc/63/03/76/893630376.db2.gz QALANBKLDALMKJ-AIYRYJHASA-N 0 3 253.262 -1.181 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)c1cnon1)C(N)=O ZINC001497706958 893630390 /nfs/dbraw/zinc/63/03/90/893630390.db2.gz QALANBKLDALMKJ-TYWZFMJISA-N 0 3 253.262 -1.181 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)C1CC(=O)NC(=O)C1)C(N)=O ZINC001497700677 893630934 /nfs/dbraw/zinc/63/09/34/893630934.db2.gz IRACBBILWKUXJN-UFUPEUMYSA-N 0 3 296.327 -1.825 20 0 CAADHN CC[C@@H](NC/C=C\CNC(=O)c1cnn(C)n1)C(N)=O ZINC001497702940 893631293 /nfs/dbraw/zinc/63/12/93/893631293.db2.gz XYBQWWUXZUZLTD-XRVBUDJMSA-N 0 3 280.332 -1.045 20 0 CAADHN COCC(=O)N[C@H](C)CNCCN(C)S(C)(=O)=O ZINC001497775356 893632086 /nfs/dbraw/zinc/63/20/86/893632086.db2.gz RXGVVUVRKOBVNS-SECBINFHSA-N 0 3 281.378 -1.382 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1ncn(C)n1 ZINC001497810905 893633360 /nfs/dbraw/zinc/63/33/60/893633360.db2.gz KCGPXSQNBWHKCJ-MRVPVSSYSA-N 0 3 268.321 -1.389 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cnn(C)c1N ZINC001497805464 893633694 /nfs/dbraw/zinc/63/36/94/893633694.db2.gz NXOBXQNRLMHSQW-RNFRBKRXSA-N 0 3 268.321 -1.416 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)[C@H](C)NC(N)=O ZINC001497809130 893633733 /nfs/dbraw/zinc/63/37/33/893633733.db2.gz AKOAMBHDUQBYNI-VGMNWLOBSA-N 0 3 285.348 -1.584 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CN[C@@H]2CCNC2=O)C1 ZINC001497809671 893633784 /nfs/dbraw/zinc/63/37/84/893633784.db2.gz VGNFFSSVOCJAHN-LDYMZIIASA-N 0 3 282.344 -1.553 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001497792973 893633940 /nfs/dbraw/zinc/63/39/40/893633940.db2.gz OVGCQTGATRZFTB-SFYZADRCSA-N 0 3 272.305 -1.675 20 0 CAADHN CCCNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001497784790 893634046 /nfs/dbraw/zinc/63/40/46/893634046.db2.gz JREAMUVCQCTGRO-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN Cc1cn(C)nc1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001497815480 893634080 /nfs/dbraw/zinc/63/40/80/893634080.db2.gz FOKNDPCENMZMHN-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cn(C)nn1 ZINC001497811078 893634119 /nfs/dbraw/zinc/63/41/19/893634119.db2.gz ODDQOBKTIUIGTH-SFYZADRCSA-N 0 3 294.315 -1.672 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cn(CCOC)nn1 ZINC001497816041 893634171 /nfs/dbraw/zinc/63/41/71/893634171.db2.gz QWCUOAMEALZYHF-SECBINFHSA-N 0 3 298.347 -1.622 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)Cn1cnnn1 ZINC001497785209 893634234 /nfs/dbraw/zinc/63/42/34/893634234.db2.gz NRPQJUBJDDOEGV-HTQZYQBOSA-N 0 3 267.293 -2.344 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CS(C)(=O)=O ZINC001497794129 893634292 /nfs/dbraw/zinc/63/42/92/893634292.db2.gz BCZUXCMWIFYPOI-HTQZYQBOSA-N 0 3 277.346 -1.986 20 0 CAADHN Cc1cc(CC(=O)N[C@H](C)CNCC(=O)NC(N)=O)no1 ZINC001497798101 893634316 /nfs/dbraw/zinc/63/43/16/893634316.db2.gz MNWFMWIDQGELQX-SSDOTTSWSA-N 0 3 297.315 -1.185 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC ZINC001497810991 893634532 /nfs/dbraw/zinc/63/45/32/893634532.db2.gz MKEDCVVDTNZWTK-BDAKNGLRSA-N 0 3 287.364 -1.466 20 0 CAADHN C[C@H](CNCc1nnnn1C)NC(=O)[C@@H]1CCCN1C ZINC001497797869 893634663 /nfs/dbraw/zinc/63/46/63/893634663.db2.gz MAVYWXPCWCAPGZ-ZJUUUORDSA-N 0 3 281.364 -1.101 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CO[C@@H]1CCOC1 ZINC001497816610 893634887 /nfs/dbraw/zinc/63/48/87/893634887.db2.gz WAKSEDXYIQKOJC-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CNC(=O)C1CC1)C(N)=O ZINC001497793525 893635028 /nfs/dbraw/zinc/63/50/28/893635028.db2.gz ZZEFZYZDSKWTSN-SCZZXKLOSA-N 0 3 284.360 -1.129 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1COCCO1 ZINC001497791371 893635286 /nfs/dbraw/zinc/63/52/86/893635286.db2.gz CTNXZAINLADZMF-ZJUUUORDSA-N 0 3 273.333 -1.368 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001497809300 893635432 /nfs/dbraw/zinc/63/54/32/893635432.db2.gz HUBWNQAPMDUPAF-BDAKNGLRSA-N 0 3 287.364 -1.338 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cccc(=O)[nH]1 ZINC001497802331 893635731 /nfs/dbraw/zinc/63/57/31/893635731.db2.gz LMGTUHWGPWSBHK-SSDOTTSWSA-N 0 3 252.274 -1.020 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CN(C)C(C)=O)C(N)=O ZINC001497788842 893635622 /nfs/dbraw/zinc/63/56/22/893635622.db2.gz CUMDFTLVVWHSLU-PSASIEDQSA-N 0 3 272.349 -1.177 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC1CC1 ZINC001497783420 893635774 /nfs/dbraw/zinc/63/57/74/893635774.db2.gz ZTDQIZSONRTFDP-RKDXNWHRSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)Cn1cnnn1 ZINC001497785498 893635788 /nfs/dbraw/zinc/63/57/88/893635788.db2.gz VFTYMAUUOIZNMM-BDAKNGLRSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1ccon1 ZINC001497793804 893635820 /nfs/dbraw/zinc/63/58/20/893635820.db2.gz VNZCGGABVBOXNP-RNFRBKRXSA-N 0 3 283.288 -1.034 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)c1cnnn1C ZINC001497811261 893635915 /nfs/dbraw/zinc/63/59/15/893635915.db2.gz MJHDHUJGDYXFHN-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCCNC1=O ZINC001497797298 893636214 /nfs/dbraw/zinc/63/62/14/893636214.db2.gz ASCANUYSXNTKCV-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001497843686 893637497 /nfs/dbraw/zinc/63/74/97/893637497.db2.gz WOWYPUUEZDCTTJ-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCNC1=O ZINC001497876957 893637666 /nfs/dbraw/zinc/63/76/66/893637666.db2.gz KPYNSLGOTJBHNK-BDAKNGLRSA-N 0 3 270.333 -1.695 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccn(C)c(=O)c1 ZINC001497841046 893637705 /nfs/dbraw/zinc/63/77/05/893637705.db2.gz NYMGKSFCTBGYBQ-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CN1CCCNC1=O)C(N)=O ZINC001497846238 893637761 /nfs/dbraw/zinc/63/77/61/893637761.db2.gz WLEPAUUIJKUOIQ-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN(C)C(=O)C1CC1 ZINC001497821964 893637793 /nfs/dbraw/zinc/63/77/93/893637793.db2.gz ARPKEGXOGIVLEG-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)Cn1ncnn1 ZINC001497817440 893637834 /nfs/dbraw/zinc/63/78/34/893637834.db2.gz ROFDDZNQENTKSB-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCc2nncn2CC1 ZINC001497861736 893638285 /nfs/dbraw/zinc/63/82/85/893638285.db2.gz MTPVHUFBHYJKAE-NXEZZACHSA-N 0 3 294.359 -1.190 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001497824874 893638318 /nfs/dbraw/zinc/63/83/18/893638318.db2.gz BAPFJGLCDPZLAG-BDAKNGLRSA-N 0 3 298.343 -1.636 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CNCc1cnn(C)c1 ZINC001497825059 893638362 /nfs/dbraw/zinc/63/83/62/893638362.db2.gz HNHWXZIUSMMIMQ-SECBINFHSA-N 0 3 282.348 -1.057 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001497882910 893638549 /nfs/dbraw/zinc/63/85/49/893638549.db2.gz DNHQONPYCWNHTQ-MXWKQRLJSA-N 0 3 296.371 -1.068 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N[C@H](C)CNCC(=O)NC ZINC001497820597 893638581 /nfs/dbraw/zinc/63/85/81/893638581.db2.gz RJTSPGXVCFKMEV-RKDXNWHRSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCN1C(=O)CCC1=O ZINC001497851727 893639172 /nfs/dbraw/zinc/63/91/72/893639172.db2.gz VXPOJMINXMCRQM-MRVPVSSYSA-N 0 3 284.316 -1.895 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001497843347 893639116 /nfs/dbraw/zinc/63/91/16/893639116.db2.gz NJLLUXDLPACKHR-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCNC1=O ZINC001497876959 893639201 /nfs/dbraw/zinc/63/92/01/893639201.db2.gz KPYNSLGOTJBHNK-RKDXNWHRSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H](C)CC(N)=O ZINC001497877536 893639264 /nfs/dbraw/zinc/63/92/64/893639264.db2.gz MHSKNSAKCBHGED-DTWKUNHWSA-N 0 3 272.349 -1.320 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001497842136 893639464 /nfs/dbraw/zinc/63/94/64/893639464.db2.gz ZYCLGBOWIWQCRY-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNCCS(C)(=O)=O)NC(=O)[C@H]1CCNC1=O ZINC001497876986 893639521 /nfs/dbraw/zinc/63/95/21/893639521.db2.gz LFLYEQOLNKKZPL-BDAKNGLRSA-N 0 3 291.373 -1.739 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001497842137 893639606 /nfs/dbraw/zinc/63/96/06/893639606.db2.gz ZYCLGBOWIWQCRY-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001497835446 893639653 /nfs/dbraw/zinc/63/96/53/893639653.db2.gz AAZTVLAYYDZUGI-PRHODGIISA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)C(=O)NCC1CC1 ZINC001497950535 893641066 /nfs/dbraw/zinc/64/10/66/893641066.db2.gz NCJAGQYZSJJDLC-SFYZADRCSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1ncccn1 ZINC001497945570 893641084 /nfs/dbraw/zinc/64/10/84/893641084.db2.gz NQFIBGIRTSVMQT-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001497902747 893641347 /nfs/dbraw/zinc/64/13/47/893641347.db2.gz RAHRWGPDSAWDLI-KKFJDGPESA-N 0 3 284.360 -1.116 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001497939910 893641456 /nfs/dbraw/zinc/64/14/56/893641456.db2.gz DSEVAJSANHNTAJ-RKDXNWHRSA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001497939359 893641604 /nfs/dbraw/zinc/64/16/04/893641604.db2.gz WWPNRPVVCBLSQH-MRVPVSSYSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001497926580 893641733 /nfs/dbraw/zinc/64/17/33/893641733.db2.gz BASPONTWCWSLHD-SSDOTTSWSA-N 0 3 295.365 -3.038 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCc1ncccn1 ZINC001497945638 893642089 /nfs/dbraw/zinc/64/20/89/893642089.db2.gz PMRJWEKCDRTGHB-SECBINFHSA-N 0 3 265.317 -1.011 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@]1(C)CCNC1=O ZINC001497909381 893642258 /nfs/dbraw/zinc/64/22/58/893642258.db2.gz ZKKXXDCNGAPCLT-RNCFNFMXSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cnn(C)n1 ZINC001497940497 893642307 /nfs/dbraw/zinc/64/23/07/893642307.db2.gz TYTXBGMFJMLLNO-RQJHMYQMSA-N 0 3 254.294 -1.603 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@]1(C)CCOC1 ZINC001497948950 893642381 /nfs/dbraw/zinc/64/23/81/893642381.db2.gz SUFHBYPXGXMYGW-PELKAZGASA-N 0 3 286.332 -1.298 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1C ZINC001497885511 893642664 /nfs/dbraw/zinc/64/26/64/893642664.db2.gz SESACGJYGVVEDP-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCN1CCOCC1 ZINC001497942902 893642840 /nfs/dbraw/zinc/64/28/40/893642840.db2.gz KNTDWOKSWQUYPF-SNVBAGLBSA-N 0 3 272.349 -1.712 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)C(=O)NCC1CC1 ZINC001497950534 893642920 /nfs/dbraw/zinc/64/29/20/893642920.db2.gz NCJAGQYZSJJDLC-HTQZYQBOSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@]1(C)CCOC1 ZINC001497948951 893642984 /nfs/dbraw/zinc/64/29/84/893642984.db2.gz SUFHBYPXGXMYGW-PRHODGIISA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)CCn1cnnn1 ZINC001497949303 893643127 /nfs/dbraw/zinc/64/31/27/893643127.db2.gz OSPNDRLAMXUKAA-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCn1cnnn1 ZINC001497947735 893643187 /nfs/dbraw/zinc/64/31/87/893643187.db2.gz DLAUUMURVOFMKD-BDAKNGLRSA-N 0 3 281.320 -1.954 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@]1(C)CCNC1=O ZINC001497909380 893643289 /nfs/dbraw/zinc/64/32/89/893643289.db2.gz ZKKXXDCNGAPCLT-NOZJJQNGSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCN1CCCC1=O ZINC001497987138 893644721 /nfs/dbraw/zinc/64/47/21/893644721.db2.gz ZVBMPTRXKJPPRN-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001497960501 893644841 /nfs/dbraw/zinc/64/48/41/893644841.db2.gz IBLCCUBOQZNMMB-MRVPVSSYSA-N 0 3 268.321 -1.422 20 0 CAADHN CO[C@H](C)C(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001498020196 893644927 /nfs/dbraw/zinc/64/49/27/893644927.db2.gz QWSWATQJNULBGE-BIIVOSGPSA-N 0 3 274.321 -1.301 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCCNC1=O ZINC001498020986 893644992 /nfs/dbraw/zinc/64/49/92/893644992.db2.gz ASCANUYSXNTKCV-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001497985794 893645039 /nfs/dbraw/zinc/64/50/39/893645039.db2.gz KZSQRSJDHPYGDE-SSDOTTSWSA-N 0 3 280.350 -2.624 20 0 CAADHN CCOCC(=O)N[C@@H](C)CNCC(=O)NC(=O)NC ZINC001498008952 893645094 /nfs/dbraw/zinc/64/50/94/893645094.db2.gz LPAKQGZDXFZQMJ-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CS(=O)(=O)NC)C(N)=O ZINC001497985571 893645127 /nfs/dbraw/zinc/64/51/27/893645127.db2.gz ALQBHZABSBKORG-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCNC(=O)c1ccco1 ZINC001497976928 893645195 /nfs/dbraw/zinc/64/51/95/893645195.db2.gz BJCPNFPMHSZXGO-SECBINFHSA-N 0 3 296.327 -1.021 20 0 CAADHN CO[C@@H](C)C(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001498020199 893645248 /nfs/dbraw/zinc/64/52/48/893645248.db2.gz QWSWATQJNULBGE-RNJXMRFFSA-N 0 3 274.321 -1.301 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CN1C(=O)CCC1=O)C(N)=O ZINC001497981626 893645271 /nfs/dbraw/zinc/64/52/71/893645271.db2.gz KYKLYGRSMXRXBT-BDAKNGLRSA-N 0 3 298.343 -1.506 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CS(=O)(=O)CC)C(N)=O ZINC001497992607 893645301 /nfs/dbraw/zinc/64/53/01/893645301.db2.gz GVJCKFIAUXDXQV-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)CS(C)(=O)=O ZINC001498020480 893645315 /nfs/dbraw/zinc/64/53/15/893645315.db2.gz UTPFEEZCGSXNKI-DTWKUNHWSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001497967646 893645344 /nfs/dbraw/zinc/64/53/44/893645344.db2.gz WHHKYEJISIJXNN-HLTSFMKQSA-N 0 3 268.317 -1.752 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001497993161 893645431 /nfs/dbraw/zinc/64/54/31/893645431.db2.gz MXRGBENGNZGLBD-RKDXNWHRSA-N 0 3 297.359 -1.304 20 0 CAADHN CCN1CC[C@@H](NC[C@H](C)NC(=O)Cn2cnnn2)C1=O ZINC001498009671 893645481 /nfs/dbraw/zinc/64/54/81/893645481.db2.gz CUJHGOZWRRAPCN-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001497982362 893645885 /nfs/dbraw/zinc/64/58/85/893645885.db2.gz YPQQGWUOMPZVGP-SFYZADRCSA-N 0 3 299.331 -2.233 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)C1CC1 ZINC001498002542 893645946 /nfs/dbraw/zinc/64/59/46/893645946.db2.gz NRNKYHUYHGDYOH-ZETCQYMHSA-N 0 3 256.306 -1.054 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1ccccn1 ZINC001498004359 893646094 /nfs/dbraw/zinc/64/60/94/893646094.db2.gz DDTGZEADZAADEH-QMMMGPOBSA-N 0 3 279.300 -1.016 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CN1C(=O)CCC1=O)C(N)=O ZINC001497981627 893646208 /nfs/dbraw/zinc/64/62/08/893646208.db2.gz KYKLYGRSMXRXBT-RKDXNWHRSA-N 0 3 298.343 -1.506 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CN1C(=O)CCC1=O ZINC001497982046 893646224 /nfs/dbraw/zinc/64/62/24/893646224.db2.gz TYOZXSTWXGSBMQ-SECBINFHSA-N 0 3 298.343 -1.682 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001498004270 893646282 /nfs/dbraw/zinc/64/62/82/893646282.db2.gz XFECEBZGUSPZOA-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)CS(C)(=O)=O ZINC001498020713 893646437 /nfs/dbraw/zinc/64/64/37/893646437.db2.gz YTKXGFCCXIEIPF-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C1=COCCO1 ZINC001498009157 893646490 /nfs/dbraw/zinc/64/64/90/893646490.db2.gz ORHDUURCWPJKKO-IUCAKERBSA-N 0 3 269.301 -1.143 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCc1cn(C)nn1 ZINC001497999702 893646602 /nfs/dbraw/zinc/64/66/02/893646602.db2.gz KWSBJVRXIRIDBK-KOLCDFICSA-N 0 3 294.359 -1.270 20 0 CAADHN Cc1cc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)n(C)n1 ZINC001498020300 893646901 /nfs/dbraw/zinc/64/69/01/893646901.db2.gz SJZLNRYHUWEGSR-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN CO[C@H](C)C(=O)N[C@@H](C)CNCCNS(C)(=O)=O ZINC001498020669 893647146 /nfs/dbraw/zinc/64/71/46/893647146.db2.gz XEMHBXQMCFWZDW-DTWKUNHWSA-N 0 3 281.378 -1.335 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001498041761 893648493 /nfs/dbraw/zinc/64/84/93/893648493.db2.gz GDUWZUKLCIJMIF-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1COC(=O)N1 ZINC001498037858 893649207 /nfs/dbraw/zinc/64/92/07/893649207.db2.gz DAUFETBKBSLODH-VHSXEESVSA-N 0 3 298.343 -1.189 20 0 CAADHN CCN(C(=O)CNC[C@H](C)NC(=O)CC(N)=O)C1CC1 ZINC001498025701 893649284 /nfs/dbraw/zinc/64/92/84/893649284.db2.gz FDBZUIZTNPDWCA-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)Cn1ncnn1 ZINC001498044211 893649350 /nfs/dbraw/zinc/64/93/50/893649350.db2.gz WAZAIKMFUITGRM-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)Cn1ncnn1 ZINC001498043162 893649456 /nfs/dbraw/zinc/64/94/56/893649456.db2.gz DVQGCRSZTIGDRQ-IUCAKERBSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001498025418 893649651 /nfs/dbraw/zinc/64/96/51/893649651.db2.gz GBEBXLMSSOGFPH-QWRGUYRKSA-N 0 3 286.376 -1.501 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001498022960 893649698 /nfs/dbraw/zinc/64/96/98/893649698.db2.gz CNEVKDKQIDTFFQ-JGVFFNPUSA-N 0 3 258.322 -1.519 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)C[C@@H](C)NC(N)=O ZINC001498041760 893649790 /nfs/dbraw/zinc/64/97/90/893649790.db2.gz GDUWZUKLCIJMIF-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)CC(C)(C)O ZINC001498037421 893649795 /nfs/dbraw/zinc/64/97/95/893649795.db2.gz BWAOYXOEWOLRPN-QMMMGPOBSA-N 0 3 288.348 -1.303 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN1CCOCC1=O ZINC001498055649 893651404 /nfs/dbraw/zinc/65/14/04/893651404.db2.gz OJRMHHKRCFFHBX-VIFPVBQESA-N 0 3 286.332 -2.315 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001498064290 893650914 /nfs/dbraw/zinc/65/09/14/893650914.db2.gz NJLLUXDLPACKHR-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001498056702 893650966 /nfs/dbraw/zinc/65/09/66/893650966.db2.gz ATLIPUVQXZYMRO-JGVFFNPUSA-N 0 3 256.306 -1.765 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CCS(C)(=O)=O)C(N)=O ZINC001498059969 893652039 /nfs/dbraw/zinc/65/20/39/893652039.db2.gz JBLJLTRQUQZXOD-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CCS(C)(=O)=O)C(N)=O ZINC001498059971 893652129 /nfs/dbraw/zinc/65/21/29/893652129.db2.gz JBLJLTRQUQZXOD-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1cc(=O)n(C)cn1 ZINC001498055796 893652142 /nfs/dbraw/zinc/65/21/42/893652142.db2.gz WRWFCJLIQYLSHB-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCCCNC(N)=O ZINC001498068931 893652379 /nfs/dbraw/zinc/65/23/79/893652379.db2.gz XMFNMUFFZDJXHP-UWVGGRQHSA-N 0 3 299.375 -1.192 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1c[nH]c(=O)n1C ZINC001498086409 893652390 /nfs/dbraw/zinc/65/23/90/893652390.db2.gz CXGQLAIOKZYRHZ-JGVFFNPUSA-N 0 3 281.316 -1.278 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H](C)S(C)(=O)=O ZINC001498060410 893652617 /nfs/dbraw/zinc/65/26/17/893652617.db2.gz RFSJRKBNYSSVTA-BQBZGAKWSA-N 0 3 265.335 -2.001 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001498090007 893653203 /nfs/dbraw/zinc/65/32/03/893653203.db2.gz ZGUWHDRNJOTYDL-GUBZILKMSA-N 0 3 282.344 -1.410 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1c[nH]c(=O)n1C ZINC001498088187 893653539 /nfs/dbraw/zinc/65/35/39/893653539.db2.gz WOMQUGPCMAWEBA-LURJTMIESA-N 0 3 255.278 -1.681 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCN(C)C1=O ZINC001498090646 893654061 /nfs/dbraw/zinc/65/40/61/893654061.db2.gz ITMCBBUWUROTHE-YUMQZZPRSA-N 0 3 299.331 -2.246 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001498101877 893654740 /nfs/dbraw/zinc/65/47/40/893654740.db2.gz SCODZUWLERDHDC-QMMMGPOBSA-N 0 3 294.377 -2.105 20 0 CAADHN C[C@@H](CNCc1cnn(C)c1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001498100224 893654966 /nfs/dbraw/zinc/65/49/66/893654966.db2.gz UTOOIZLJEVVNJU-WPRPVWTQSA-N 0 3 280.332 -1.304 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001498101386 893655201 /nfs/dbraw/zinc/65/52/01/893655201.db2.gz ZUTWCUNCTMEFPO-XHNCKOQMSA-N 0 3 270.333 -1.425 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001498100545 893655588 /nfs/dbraw/zinc/65/55/88/893655588.db2.gz WTWMFTWRIGGKBY-IUCAKERBSA-N 0 3 283.332 -2.006 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001498100420 893655462 /nfs/dbraw/zinc/65/54/62/893655462.db2.gz WTWMFTWRIGGKBY-DTWKUNHWSA-N 0 3 283.332 -2.006 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001498090006 893655519 /nfs/dbraw/zinc/65/55/19/893655519.db2.gz ZGUWHDRNJOTYDL-AEJSXWLSSA-N 0 3 282.344 -1.410 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001498106894 893655572 /nfs/dbraw/zinc/65/55/72/893655572.db2.gz TUGMHPHLJNKLHF-UFBFGSQYSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001498101382 893655761 /nfs/dbraw/zinc/65/57/61/893655761.db2.gz ZUTWCUNCTMEFPO-DJLDLDEBSA-N 0 3 270.333 -1.425 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1nnn(C)n1 ZINC001498089716 893655774 /nfs/dbraw/zinc/65/57/74/893655774.db2.gz UDMBVPRDAHVALX-YUMQZZPRSA-N 0 3 283.336 -1.605 20 0 CAADHN C[C@@H](CNCc1nnnn1C)NC(=O)Cc1cnc[nH]1 ZINC001498122021 893657719 /nfs/dbraw/zinc/65/77/19/893657719.db2.gz IDAAHHWDEOKUHE-QMMMGPOBSA-N 0 3 278.320 -1.230 20 0 CAADHN Cc1ccnn1CC(=O)N[C@@H](C)CNCC(N)=O ZINC001498125010 893657818 /nfs/dbraw/zinc/65/78/18/893657818.db2.gz BYHBXUSPPIKXOS-QMMMGPOBSA-N 0 3 253.306 -1.229 20 0 CAADHN CCN1CC[C@@H](NC[C@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001498167245 893660072 /nfs/dbraw/zinc/66/00/72/893660072.db2.gz PRRWJZDVTPVLKY-GARJFASQSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)C(=O)NCC1CC1)C(N)=O ZINC001498148125 893660577 /nfs/dbraw/zinc/66/05/77/893660577.db2.gz NCJAGQYZSJJDLC-JGVFFNPUSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1ncccn1 ZINC001498139979 893660630 /nfs/dbraw/zinc/66/06/30/893660630.db2.gz NQFIBGIRTSVMQT-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cnon1 ZINC001498143012 893660672 /nfs/dbraw/zinc/66/06/72/893660672.db2.gz SWOGEESEORXXAN-BQBZGAKWSA-N 0 3 253.262 -1.334 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001498157704 893660778 /nfs/dbraw/zinc/66/07/78/893660778.db2.gz GXIGKMSVCFOZNV-WPRPVWTQSA-N 0 3 297.359 -1.536 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCN1CCOCC1)C(N)=O ZINC001498142199 893660872 /nfs/dbraw/zinc/66/08/72/893660872.db2.gz CMSSFPTVNRZQRY-WDEREUQCSA-N 0 3 286.376 -1.323 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ncccn1 ZINC001498139654 893661135 /nfs/dbraw/zinc/66/11/35/893661135.db2.gz JADBLAZTEVUQHV-QMMMGPOBSA-N 0 3 251.290 -1.070 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)c1cnn(C)n1 ZINC001498140323 893661361 /nfs/dbraw/zinc/66/13/61/893661361.db2.gz JPAWEMATGJVSIN-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)COCc1nncn1C ZINC001498151503 893661419 /nfs/dbraw/zinc/66/14/19/893661419.db2.gz UUSFGLZNWUEVJM-QMMMGPOBSA-N 0 3 284.320 -2.089 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CS(=O)(=O)CC)C(N)=O ZINC001498197214 893662845 /nfs/dbraw/zinc/66/28/45/893662845.db2.gz GVJCKFIAUXDXQV-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001498180172 893663161 /nfs/dbraw/zinc/66/31/61/893663161.db2.gz DYFBWXYKUIFURH-JGVFFNPUSA-N 0 3 281.316 -1.638 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)Cn1cncn1)C(N)=O ZINC001498181068 893663511 /nfs/dbraw/zinc/66/35/11/893663511.db2.gz JZGSYGPNDWKGJS-DTWKUNHWSA-N 0 3 268.321 -1.364 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CS(=O)(=O)C(C)C ZINC001498193198 893663675 /nfs/dbraw/zinc/66/36/75/893663675.db2.gz ZJQXTNGQNUZLPD-VIFPVBQESA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001498180173 893663819 /nfs/dbraw/zinc/66/38/19/893663819.db2.gz DYFBWXYKUIFURH-YUMQZZPRSA-N 0 3 281.316 -1.638 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1ccn(C)n1 ZINC001498185941 893663857 /nfs/dbraw/zinc/66/38/57/893663857.db2.gz DDIFAVUTIHXHMG-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CNC(=O)C(C)(C)C ZINC001498185266 893664208 /nfs/dbraw/zinc/66/42/08/893664208.db2.gz GXDUZIFHQSUGFK-QMMMGPOBSA-N 0 3 272.349 -1.272 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)CC(N)=O)C1 ZINC001498194408 893664348 /nfs/dbraw/zinc/66/43/48/893664348.db2.gz LVUUMDSNPQLYPW-UHFFFAOYSA-N 0 3 270.333 -1.469 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001498199878 893664532 /nfs/dbraw/zinc/66/45/32/893664532.db2.gz XMHGYKPMJNFHTH-ATZCPNFKSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccn(C)n1)C(=O)NC(N)=O ZINC001498188971 893664729 /nfs/dbraw/zinc/66/47/29/893664729.db2.gz XQHIDAULSMVXIW-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)Cn1cncn1 ZINC001498180837 893664780 /nfs/dbraw/zinc/66/47/80/893664780.db2.gz GAIJSWCHDKLFMX-IUCAKERBSA-N 0 3 266.305 -1.739 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CN1C(=O)CNC1=O ZINC001498182508 893664800 /nfs/dbraw/zinc/66/48/00/893664800.db2.gz WNFHZHGGJQSSEP-BQBZGAKWSA-N 0 3 285.304 -2.494 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1ccn(C)n1 ZINC001498189461 893664900 /nfs/dbraw/zinc/66/49/00/893664900.db2.gz BOOUVXBVBLEIQZ-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001498206652 893664934 /nfs/dbraw/zinc/66/49/34/893664934.db2.gz MFVNWWYOCGDXQP-BQBZGAKWSA-N 0 3 270.289 -2.381 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CN1CCCS1(=O)=O ZINC001498298678 893667140 /nfs/dbraw/zinc/66/71/40/893667140.db2.gz HLDUWPIVAQCDHY-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001498287785 893668897 /nfs/dbraw/zinc/66/88/97/893668897.db2.gz JDWZGXSMNPULAZ-MRVPVSSYSA-N 0 3 284.320 -2.194 20 0 CAADHN Cc1nc(CC(=O)N[C@@H](C)CN(C)[C@@H](C)C(N)=O)n[nH]1 ZINC001498277132 893669126 /nfs/dbraw/zinc/66/91/26/893669126.db2.gz POCFFCYEHJPELR-YUMQZZPRSA-N 0 3 282.348 -1.034 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001498235260 893669252 /nfs/dbraw/zinc/66/92/52/893669252.db2.gz YUWANQNSGTZLJN-JTQLQIEISA-N 0 3 298.343 -1.238 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)CC(N)=O)C1)N(C)C ZINC001498307386 893671453 /nfs/dbraw/zinc/67/14/53/893671453.db2.gz AMVJNZJWGUYSKW-SECBINFHSA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@@H](CN(C)CCOCCO)NC(=O)c1nnn(C)n1 ZINC001498358669 893672072 /nfs/dbraw/zinc/67/20/72/893672072.db2.gz CSADLASLZJHVDT-VIFPVBQESA-N 0 3 286.336 -1.731 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)CC(N)=O)C1)N(C)C ZINC001498307388 893672403 /nfs/dbraw/zinc/67/24/03/893672403.db2.gz AMVJNZJWGUYSKW-VIFPVBQESA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001498370244 893674673 /nfs/dbraw/zinc/67/46/73/893674673.db2.gz VVWGFGBLSOMSKU-ZJUUUORDSA-N 0 3 295.347 -1.604 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001498460352 893677401 /nfs/dbraw/zinc/67/74/01/893677401.db2.gz ZECSBCGGGYVJCR-NXEZZACHSA-N 0 3 293.389 -1.239 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)CN(C)CCO ZINC001498462057 893678755 /nfs/dbraw/zinc/67/87/55/893678755.db2.gz ZPNKTLNJWBUMQG-MRVPVSSYSA-N 0 3 267.351 -2.036 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001498401057 893679642 /nfs/dbraw/zinc/67/96/42/893679642.db2.gz VMASLQFIGRRBIW-NXEZZACHSA-N 0 3 287.360 -1.304 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)CN(C)CCO ZINC001498462058 893679924 /nfs/dbraw/zinc/67/99/24/893679924.db2.gz ZPNKTLNJWBUMQG-QMMMGPOBSA-N 0 3 267.351 -2.036 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CN1CC(=O)N(C)C1=O ZINC001498427636 893679966 /nfs/dbraw/zinc/67/99/66/893679966.db2.gz XQTWRJXKVLNWHI-SECBINFHSA-N 0 3 286.332 -1.691 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CN1C(=O)CCC1=O ZINC001498449273 893679994 /nfs/dbraw/zinc/67/99/94/893679994.db2.gz UTMIDPZUTLFYRB-SECBINFHSA-N 0 3 271.317 -1.436 20 0 CAADHN CN(CCC[NH2+]CC(N)=O)C(=O)CCc1nnc[n-]1 ZINC001498530991 893682089 /nfs/dbraw/zinc/68/20/89/893682089.db2.gz COHJOESCNCNJOY-UHFFFAOYSA-N 0 3 268.321 -1.339 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC(CNC(=O)CC(N)=O)C2)C1 ZINC001498506920 893682410 /nfs/dbraw/zinc/68/24/10/893682410.db2.gz XNCSJIAUOFMXHK-JTQLQIEISA-N 0 3 296.371 -1.222 20 0 CAADHN CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1nc[n-]n1 ZINC001498628598 893685090 /nfs/dbraw/zinc/68/50/90/893685090.db2.gz YUSVBBUWLAHVDU-QMMMGPOBSA-N 0 3 294.315 -1.338 20 0 CAADHN CNC(=O)C[NH2+]CCCN(C)C(=O)c1nc[n-]n1 ZINC001498627950 893685455 /nfs/dbraw/zinc/68/54/55/893685455.db2.gz JENNPGAVMBWMOQ-UHFFFAOYSA-N 0 3 254.294 -1.398 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(CNC(=O)C(N)=O)C1 ZINC001498678139 893686857 /nfs/dbraw/zinc/68/68/57/893686857.db2.gz LNUSANBNKKSIKF-UHFFFAOYSA-N 0 3 270.333 -1.614 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001498782515 893689280 /nfs/dbraw/zinc/68/92/80/893689280.db2.gz HVTAXDKXIYLLJX-NEPJUHHUSA-N 0 3 298.387 -1.323 20 0 CAADHN CCN1C[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC1=O ZINC001498769760 893689350 /nfs/dbraw/zinc/68/93/50/893689350.db2.gz OAEDYBCWQPHXQG-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1CC1 ZINC001498800596 893689570 /nfs/dbraw/zinc/68/95/70/893689570.db2.gz AEEVUXXVJHEAKQ-WPRPVWTQSA-N 0 3 284.360 -1.272 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)c1cn[nH]c(=O)c1)C1CC1 ZINC001498772352 893689647 /nfs/dbraw/zinc/68/96/47/893689647.db2.gz DEWYZPBDEZQEPQ-SECBINFHSA-N 0 3 279.300 -1.235 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001498749454 893689787 /nfs/dbraw/zinc/68/97/87/893689787.db2.gz CZBZEOCCUZQDKL-MNOVXSKESA-N 0 3 296.371 -1.115 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001498760916 893690019 /nfs/dbraw/zinc/69/00/19/893690019.db2.gz PTAMRJOFBZMQRA-SNVBAGLBSA-N 0 3 295.347 -1.754 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001498782519 893690211 /nfs/dbraw/zinc/69/02/11/893690211.db2.gz HVTAXDKXIYLLJX-RYUDHWBXSA-N 0 3 298.387 -1.323 20 0 CAADHN CS(=O)(=O)CCNC[C@@H](NC(=O)CC(N)=O)C1CC1 ZINC001498739065 893690531 /nfs/dbraw/zinc/69/05/31/893690531.db2.gz OHNIBCKEHFLYOY-SECBINFHSA-N 0 3 291.373 -1.609 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001498725675 893690694 /nfs/dbraw/zinc/69/06/94/893690694.db2.gz XHIATZWNPKOLDD-SNVBAGLBSA-N 0 3 295.347 -1.706 20 0 CAADHN CCn1nncc1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001498763795 893690876 /nfs/dbraw/zinc/69/08/76/893690876.db2.gz WMCLIMVCXNJQAR-VIFPVBQESA-N 0 3 280.332 -1.119 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](NC(=O)CC(N)=O)C1CC1 ZINC001498739796 893690981 /nfs/dbraw/zinc/69/09/81/893690981.db2.gz QXUJXQUTICYHPE-APPZFPTMSA-N 0 3 270.333 -1.519 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001498801419 893692127 /nfs/dbraw/zinc/69/21/27/893692127.db2.gz GUKGTBTWOGIEGR-GHMZBOCLSA-N 0 3 296.371 -1.305 20 0 CAADHN CCCNC(=O)CNC[C@@H](NC(=O)C(N)=O)C1CC1 ZINC001498816242 893692551 /nfs/dbraw/zinc/69/25/51/893692551.db2.gz REBNPTDVYYPHJR-SECBINFHSA-N 0 3 270.333 -1.518 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001498801421 893692577 /nfs/dbraw/zinc/69/25/77/893692577.db2.gz GUKGTBTWOGIEGR-MNOVXSKESA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)C(=O)NCC1CC1)C1CC1 ZINC001498843331 893692658 /nfs/dbraw/zinc/69/26/58/893692658.db2.gz CPUDGPJNKMQKSJ-NSHDSACASA-N 0 3 296.371 -1.257 20 0 CAADHN Cn1ncc(C(=O)N[C@@H](CN[C@H]2CCNC2=O)C2CC2)n1 ZINC001498846899 893692702 /nfs/dbraw/zinc/69/27/02/893692702.db2.gz ZYAGCLOGBMNXCR-UWVGGRQHSA-N 0 3 292.343 -1.198 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@@H](NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001498847882 893692981 /nfs/dbraw/zinc/69/29/81/893692981.db2.gz CFUJRXQKBPTHMW-SNVBAGLBSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)C1(C(=O)NC)CC1)C1CC1 ZINC001498846386 893693096 /nfs/dbraw/zinc/69/30/96/893693096.db2.gz YWHFNHWVUWCHHB-JTQLQIEISA-N 0 3 296.371 -1.257 20 0 CAADHN CCCNC(=O)CNC[C@H](NC(=O)C(N)=O)C1CC1 ZINC001498816245 893693433 /nfs/dbraw/zinc/69/34/33/893693433.db2.gz REBNPTDVYYPHJR-VIFPVBQESA-N 0 3 270.333 -1.518 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001498801423 893693749 /nfs/dbraw/zinc/69/37/49/893693749.db2.gz GUKGTBTWOGIEGR-QWRGUYRKSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)C1(C(=O)NC)CC1)C1CC1 ZINC001498846387 893693915 /nfs/dbraw/zinc/69/39/15/893693915.db2.gz YWHFNHWVUWCHHB-SNVBAGLBSA-N 0 3 296.371 -1.257 20 0 CAADHN Cn1ncc(C(=O)N[C@H](CN[C@@H]2CCNC2=O)C2CC2)n1 ZINC001498846896 893694601 /nfs/dbraw/zinc/69/46/01/893694601.db2.gz ZYAGCLOGBMNXCR-NXEZZACHSA-N 0 3 292.343 -1.198 20 0 CAADHN COCC(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001500555821 893737584 /nfs/dbraw/zinc/73/75/84/893737584.db2.gz MHEHSJQARIYEIC-UHFFFAOYSA-N 0 3 259.306 -1.627 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H]1CCN1CC(=O)NC(N)=O ZINC001499132225 893704596 /nfs/dbraw/zinc/70/45/96/893704596.db2.gz PCGKBXIADOYERN-SNVBAGLBSA-N 0 3 299.375 -1.288 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NC[C@H]1CCN1C(C)C)C(N)=O ZINC001499073707 893706816 /nfs/dbraw/zinc/70/68/16/893706816.db2.gz GAOMGAUSNOTDHG-MNOVXSKESA-N 0 3 284.360 -1.035 20 0 CAADHN COCC(=O)NCC1(NCCNS(C)(=O)=O)CC1 ZINC001499137874 893709319 /nfs/dbraw/zinc/70/93/19/893709319.db2.gz LAWHEGDOVOODNK-UHFFFAOYSA-N 0 3 279.362 -1.580 20 0 CAADHN CN1CCC[C@H]1C(=O)NCC1(NCC(N)=O)CC1 ZINC001499183396 893709905 /nfs/dbraw/zinc/70/99/05/893709905.db2.gz BSOWUZIBISKSON-VIFPVBQESA-N 0 3 254.334 -1.196 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@H]2CC(=O)N(C)C2)CC1)C(N)=O ZINC001499241532 893713362 /nfs/dbraw/zinc/71/33/62/893713362.db2.gz ZOYGPZLYUAFWNI-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@H]2CCNC2=O)CC1)C(N)=O ZINC001499310526 893714052 /nfs/dbraw/zinc/71/40/52/893714052.db2.gz NGTBHGJKSTWZTG-DTWKUNHWSA-N 0 3 282.344 -1.375 20 0 CAADHN CC[C@@H](NC1(CNC(=O)CCNC(N)=O)CC1)C(N)=O ZINC001499441912 893717601 /nfs/dbraw/zinc/71/76/01/893717601.db2.gz FRUJTVRJZXEFRI-MRVPVSSYSA-N 0 3 285.348 -1.453 20 0 CAADHN O=C(NCC1(N[C@H]2CCCNC2=O)CC1)[C@H]1CNC(=O)N1 ZINC001499335146 893717972 /nfs/dbraw/zinc/71/79/72/893717972.db2.gz NEDXMOLHWYMWHL-DTWKUNHWSA-N 0 3 295.343 -1.815 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)CS(C)(=O)=O)C(N)=O ZINC001499877001 893724457 /nfs/dbraw/zinc/72/44/57/893724457.db2.gz BXWJXVZOBLIVGZ-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@H]1CNCC(=O)NC ZINC001499889598 893724537 /nfs/dbraw/zinc/72/45/37/893724537.db2.gz ZZBJYXJJQAHJIV-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@H]2CNCC(N)=O)n1 ZINC001499891538 893726490 /nfs/dbraw/zinc/72/64/90/893726490.db2.gz BBFPBDBCIWKGFO-QMMMGPOBSA-N 0 3 266.305 -1.505 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001499921083 893727707 /nfs/dbraw/zinc/72/77/07/893727707.db2.gz PPFJNOKSHUUVMU-BDAKNGLRSA-N 0 3 293.327 -1.162 20 0 CAADHN NC(=O)Cn1cc(C(=O)N2CCC[C@H]2CNCCF)nn1 ZINC001499954451 893727880 /nfs/dbraw/zinc/72/78/80/893727880.db2.gz CMABRHWBMFQQTN-VIFPVBQESA-N 0 3 298.322 -1.073 20 0 CAADHN NC(=O)Cn1cc(C(=O)N2CCC[C@@H]2CNCCF)nn1 ZINC001499954444 893728076 /nfs/dbraw/zinc/72/80/76/893728076.db2.gz CMABRHWBMFQQTN-SECBINFHSA-N 0 3 298.322 -1.073 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@H]2CN[C@H](C)C(N)=O)CC1 ZINC001499934695 893728418 /nfs/dbraw/zinc/72/84/18/893728418.db2.gz HSYUKVMLUJWTAP-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)C(N)=O ZINC001499922491 893728464 /nfs/dbraw/zinc/72/84/64/893728464.db2.gz FIRZEDLGTZDUKK-ZETCQYMHSA-N 0 3 285.304 -2.492 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@H]2CNCC(N)=O)CC1 ZINC001499934854 893728890 /nfs/dbraw/zinc/72/88/90/893728890.db2.gz LXXHJKQIKGGBQX-VIFPVBQESA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(N)=O ZINC001499958210 893729717 /nfs/dbraw/zinc/72/97/17/893729717.db2.gz QFEVPPBSBZQCFH-UWVGGRQHSA-N 0 3 297.359 -1.405 20 0 CAADHN C[C@@]1(NC(=O)Cn2ncnn2)CCN(CCOCCO)C1 ZINC001500218731 893733573 /nfs/dbraw/zinc/73/35/73/893733573.db2.gz AAAFVYDIECJJTK-GFCCVEGCSA-N 0 3 298.347 -1.737 20 0 CAADHN COCC(=O)NCCC(=O)N[C@]1(C)CCN(CCO)C1 ZINC001500225211 893733818 /nfs/dbraw/zinc/73/38/18/893733818.db2.gz GATSVPIWISCJHH-CYBMUJFWSA-N 0 3 287.360 -1.288 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](C)CNC(=O)C(N)=O ZINC001500259973 893736630 /nfs/dbraw/zinc/73/66/30/893736630.db2.gz NRVNGAXXHANMSI-VIFPVBQESA-N 0 3 272.349 -1.320 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](C)CNC(=O)C(N)=O ZINC001500259969 893738083 /nfs/dbraw/zinc/73/80/83/893738083.db2.gz NRVNGAXXHANMSI-SECBINFHSA-N 0 3 272.349 -1.320 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC001500631051 893741626 /nfs/dbraw/zinc/74/16/26/893741626.db2.gz HLGVVBAAINEPMU-AWEZNQCLSA-N 0 3 299.371 -1.192 20 0 CAADHN COCCOC[C@@H](O)CN1CC[C@@](O)(CNC(C)=O)C1 ZINC001500620802 893742726 /nfs/dbraw/zinc/74/27/26/893742726.db2.gz PJJVOWGHHZSOIN-QWHCGFSZSA-N 0 3 290.360 -1.417 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001500706663 893744238 /nfs/dbraw/zinc/74/42/38/893744238.db2.gz LDQFJNFRWWDPBC-CYBMUJFWSA-N 0 3 298.343 -1.412 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001500666005 893745277 /nfs/dbraw/zinc/74/52/77/893745277.db2.gz CRGBATNPZCEDIJ-AWEZNQCLSA-N 0 3 299.371 -1.336 20 0 CAADHN Cn1cnc(C(=O)NC[C@]2(O)CCN(CCCO)C2)n1 ZINC001500675631 893745444 /nfs/dbraw/zinc/74/54/44/893745444.db2.gz YLJFLWBFXVFOOE-GFCCVEGCSA-N 0 3 283.332 -1.636 20 0 CAADHN Cn1ccc(CC(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001500677406 893747198 /nfs/dbraw/zinc/74/71/98/893747198.db2.gz JGKAKIXQBHSQPT-ZDUSSCGKSA-N 0 3 282.344 -1.492 20 0 CAADHN Cc1nn(C)cc1CC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001500686901 893747979 /nfs/dbraw/zinc/74/79/79/893747979.db2.gz NUAZDYQBTWQICN-CQSZACIVSA-N 0 3 296.371 -1.184 20 0 CAADHN NC(=O)C(=O)NC[C@]1(O)CCN(CCOCC2CCC2)C1 ZINC001500718586 893750546 /nfs/dbraw/zinc/75/05/46/893750546.db2.gz WJMWFPNBUJFOGH-CQSZACIVSA-N 0 3 299.371 -1.159 20 0 CAADHN Cn1nccc1CCN1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001500717813 893750660 /nfs/dbraw/zinc/75/06/60/893750660.db2.gz GJYWKFUCNHALKG-CYBMUJFWSA-N 0 3 295.343 -1.999 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001500740604 893753205 /nfs/dbraw/zinc/75/32/05/893753205.db2.gz OIANZUQSZQHJOR-GFCCVEGCSA-N 0 3 283.332 -1.372 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001500750493 893754583 /nfs/dbraw/zinc/75/45/83/893754583.db2.gz FQQUUSODGFLRDY-LLVKDONJSA-N 0 3 269.305 -2.108 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001500750493 893754591 /nfs/dbraw/zinc/75/45/91/893754591.db2.gz FQQUUSODGFLRDY-LLVKDONJSA-N 0 3 269.305 -2.108 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NC[C@]1(O)CCN(CCO)C1 ZINC001500768936 893756332 /nfs/dbraw/zinc/75/63/32/893756332.db2.gz CRPUDSLTALCSCW-TVQRCGJNSA-N 0 3 299.327 -2.416 20 0 CAADHN C[C@@H](O)CN1CC(O)(CNC(=O)c2[nH]ncc2F)C1 ZINC001500918346 893774169 /nfs/dbraw/zinc/77/41/69/893774169.db2.gz VRMIKECRVGWAKI-SSDOTTSWSA-N 0 3 272.280 -1.294 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(O)CN([C@@H](C)C(N)=O)C1 ZINC001500982123 893776146 /nfs/dbraw/zinc/77/61/46/893776146.db2.gz ATMWFNGBTNEEDF-JTQLQIEISA-N 0 3 286.376 -1.637 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001500971834 893776662 /nfs/dbraw/zinc/77/66/62/893776662.db2.gz KSBKBYYFSSSIJT-UHFFFAOYSA-N 0 3 281.316 -2.091 20 0 CAADHN Cc1nn[n-]c1C(=O)N1C[C@H](C)[C@H](C[NH2+]CC(N)=O)C1 ZINC001501130550 893779690 /nfs/dbraw/zinc/77/96/90/893779690.db2.gz YKDXTFGJZKHOMO-IONNQARKSA-N 0 3 280.332 -1.104 20 0 CAADHN C[C@@H](C(N)=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(N)=O)C2 ZINC001501170439 893781303 /nfs/dbraw/zinc/78/13/03/893781303.db2.gz VKVTXBYMTSVWHL-QEYWKRMJSA-N 0 3 282.344 -1.295 20 0 CAADHN C[C@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001501076840 893781907 /nfs/dbraw/zinc/78/19/07/893781907.db2.gz RDCZYEIUUPLUKM-YUMQZZPRSA-N 0 3 266.305 -1.270 20 0 CAADHN NC(=O)C(=O)N[C@]1(CO)CCCN(C[C@H]2CCCOC2)C1 ZINC001501345764 893785248 /nfs/dbraw/zinc/78/52/48/893785248.db2.gz OTTBWPAJGJENDQ-BXUZGUMPSA-N 0 3 299.371 -1.159 20 0 CAADHN CCN1CCC[C@](CO)(NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001501341298 893785901 /nfs/dbraw/zinc/78/59/01/893785901.db2.gz GMPLBUHRDRMXPQ-MFKMUULPSA-N 0 3 284.360 -1.027 20 0 CAADHN C[C@H](O)CN1CCC[C@](CO)(NC(=O)CC(N)=O)C1 ZINC001501312724 893787269 /nfs/dbraw/zinc/78/72/69/893787269.db2.gz JIYUMQDUGPPCKC-CABZTGNLSA-N 0 3 273.333 -1.814 20 0 CAADHN COCC(=O)NC[C@H](O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC001501384843 893791790 /nfs/dbraw/zinc/79/17/90/893791790.db2.gz VZOGWBDLLHCBIV-CMPLNLGQSA-N 0 3 289.376 -1.188 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)C1CC1 ZINC001501429527 893793309 /nfs/dbraw/zinc/79/33/09/893793309.db2.gz KRNWSWUVINDOCE-UHFFFAOYSA-N 0 3 257.334 -1.105 20 0 CAADHN O=C(c1ccccn1)N(CCO)CCN[C@H]1CCNC1=O ZINC001501430931 893793447 /nfs/dbraw/zinc/79/34/47/893793447.db2.gz LMYKDJZFYWSKOM-NSHDSACASA-N 0 3 292.339 -1.006 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C1CC1)C(=O)NC(N)=O ZINC001501430141 893793719 /nfs/dbraw/zinc/79/37/19/893793719.db2.gz SLFUJUQQGGTMJV-MRVPVSSYSA-N 0 3 286.332 -1.610 20 0 CAADHN CCC(=O)N(CCO)CCNCC(=O)NC(N)=O ZINC001501427485 893793843 /nfs/dbraw/zinc/79/38/43/893793843.db2.gz NNLITIUDTQHEFN-UHFFFAOYSA-N 0 3 260.294 -1.998 20 0 CAADHN O=C(C(F)F)N(CCO)CCN[C@H]1CCC(=O)NC1=O ZINC001501430166 893793877 /nfs/dbraw/zinc/79/38/77/893793877.db2.gz SZHGOCVLLDNJBH-ZETCQYMHSA-N 0 3 293.270 -1.533 20 0 CAADHN CCOCC(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501433833 893793930 /nfs/dbraw/zinc/79/39/30/893793930.db2.gz QYWLBIKHWSEHOK-SNVBAGLBSA-N 0 3 273.333 -1.678 20 0 CAADHN CC(=O)N(CCO)CCNCC(=O)NC[C@@H]1CCOC1 ZINC001501429283 893794168 /nfs/dbraw/zinc/79/41/68/893794168.db2.gz HFHPTAMOZVDTIO-LBPRGKRZSA-N 0 3 287.360 -1.431 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C1CC1)C(=O)NC(N)=O ZINC001501430142 893794327 /nfs/dbraw/zinc/79/43/27/893794327.db2.gz SLFUJUQQGGTMJV-QMMMGPOBSA-N 0 3 286.332 -1.610 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cc(C)on1 ZINC001501433553 893794341 /nfs/dbraw/zinc/79/43/41/893794341.db2.gz JFBFJYWZZZSFHF-UHFFFAOYSA-N 0 3 284.316 -1.247 20 0 CAADHN CC(=O)N(CCO)CCNCC(=O)NC[C@H]1CCOC1 ZINC001501429279 893794368 /nfs/dbraw/zinc/79/43/68/893794368.db2.gz HFHPTAMOZVDTIO-GFCCVEGCSA-N 0 3 287.360 -1.431 20 0 CAADHN COCC(=O)N(CCO)CCN[C@@H]1CCN(C)C1=O ZINC001501429900 893794833 /nfs/dbraw/zinc/79/48/33/893794833.db2.gz PSFCWZBAIAJRIY-SNVBAGLBSA-N 0 3 273.333 -1.726 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)n(C)n1 ZINC001501441308 893796316 /nfs/dbraw/zinc/79/63/16/893796316.db2.gz GIXRRUNUDHHCJX-JTQLQIEISA-N 0 3 297.359 -1.374 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1ncoc1C ZINC001501441137 893796341 /nfs/dbraw/zinc/79/63/41/893796341.db2.gz DIGHWECYUSSULM-UHFFFAOYSA-N 0 3 284.316 -1.247 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)CC(N)=O)C1=O ZINC001501445456 893796837 /nfs/dbraw/zinc/79/68/37/893796837.db2.gz JMXQYBXCSBEVKI-VIFPVBQESA-N 0 3 286.332 -2.497 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNC(=O)[C@@H](C)OC)N(C)C ZINC001501443612 893796913 /nfs/dbraw/zinc/79/69/13/893796913.db2.gz IUOIJDBEZNHDJM-OUAUKWLOSA-N 0 3 289.376 -1.045 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cc[nH]n1)C(=O)N(C)C ZINC001501439587 893797003 /nfs/dbraw/zinc/79/70/03/893797003.db2.gz MDLOYLXYYDUTSR-JTQLQIEISA-N 0 3 297.359 -1.090 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNC(=O)[C@H](C)OC)N(C)C ZINC001501443602 893797361 /nfs/dbraw/zinc/79/73/61/893797361.db2.gz IUOIJDBEZNHDJM-GARJFASQSA-N 0 3 289.376 -1.045 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cnn(C)c1C ZINC001501436867 893797485 /nfs/dbraw/zinc/79/74/85/893797485.db2.gz LOJNVGDTVXUKMN-UHFFFAOYSA-N 0 3 297.359 -1.501 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)CC(N)=O)C1=O ZINC001501445455 893797562 /nfs/dbraw/zinc/79/75/62/893797562.db2.gz JMXQYBXCSBEVKI-SECBINFHSA-N 0 3 286.332 -2.497 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cncnc1C ZINC001501439596 893797649 /nfs/dbraw/zinc/79/76/49/893797649.db2.gz MMPSMIKGFPELEP-UHFFFAOYSA-N 0 3 295.343 -1.445 20 0 CAADHN O=C([C@H]1CC1(F)F)N(CCO)CCN[C@H]1CCNC1=O ZINC001501455047 893799782 /nfs/dbraw/zinc/79/97/82/893799782.db2.gz ICMZMUXBBMPABD-BDAKNGLRSA-N 0 3 291.298 -1.059 20 0 CAADHN Cn1nncc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501455201 893800003 /nfs/dbraw/zinc/80/00/03/893800003.db2.gz NFRXQJRRICORSS-SECBINFHSA-N 0 3 296.331 -2.272 20 0 CAADHN NC(=O)CC(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001501445854 893800241 /nfs/dbraw/zinc/80/02/41/893800241.db2.gz XBWDYBJKZOSLIQ-QMMMGPOBSA-N 0 3 272.305 -2.839 20 0 CAADHN CC(C)(O)CC(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001501453701 893801033 /nfs/dbraw/zinc/80/10/33/893801033.db2.gz HFCKSJHNYJETEE-JTQLQIEISA-N 0 3 287.360 -1.554 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1cncn1C ZINC001501472497 893803063 /nfs/dbraw/zinc/80/30/63/893803063.db2.gz LQPVYEJZKOICMN-UHFFFAOYSA-N 0 3 297.359 -1.468 20 0 CAADHN O=C(c1cnc[n-]c1=O)N(CCO)CC[NH2+]CCO ZINC001501463703 893803184 /nfs/dbraw/zinc/80/31/84/893803184.db2.gz FHTUKXYHJYRHDP-UHFFFAOYSA-N 0 3 270.289 -1.801 20 0 CAADHN O=C(CNCCN(CCO)C(=O)c1cnco1)NC1CC1 ZINC001501479899 893803316 /nfs/dbraw/zinc/80/33/16/893803316.db2.gz CSFSPZZIXBWVGC-UHFFFAOYSA-N 0 3 296.327 -1.023 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)[C@]12C[C@H]1COC2 ZINC001501459112 893803625 /nfs/dbraw/zinc/80/36/25/893803625.db2.gz BUVXKPFMQSQJQN-FZMZJTMJSA-N 0 3 299.371 -1.478 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1n[nH]c2c1CCC2 ZINC001501469659 893804548 /nfs/dbraw/zinc/80/45/48/893804548.db2.gz ROHZVAWPPOOEFN-UHFFFAOYSA-N 0 3 295.343 -1.592 20 0 CAADHN CCN(C)C(=O)CNCCN(CCO)C(=O)c1cn[nH]n1 ZINC001501469780 893805113 /nfs/dbraw/zinc/80/51/13/893805113.db2.gz VUHQZEHKECGKQD-UHFFFAOYSA-N 0 3 298.347 -1.693 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1cn[nH]n1 ZINC001501469592 893805198 /nfs/dbraw/zinc/80/51/98/893805198.db2.gz PUFFPRNUTTYZDB-UHFFFAOYSA-N 0 3 256.266 -2.686 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)Cn1cncc1C ZINC001501474672 893806329 /nfs/dbraw/zinc/80/63/29/893806329.db2.gz JPSFKTIGUCLBTL-UHFFFAOYSA-N 0 3 297.359 -1.652 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N(CCO)CCNCC(N)=O ZINC001501482700 893807826 /nfs/dbraw/zinc/80/78/26/893807826.db2.gz XTYOOWUHRYKIJH-VIFPVBQESA-N 0 3 286.332 -2.497 20 0 CAADHN Cc1c[nH]c(C(=O)N(CCO)CCN[C@H](C)C(N)=O)n1 ZINC001501499434 893808192 /nfs/dbraw/zinc/80/81/92/893808192.db2.gz HZAXCVRQCJZRJQ-SECBINFHSA-N 0 3 283.332 -1.384 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)Cc1cnoc1 ZINC001501484776 893809065 /nfs/dbraw/zinc/80/90/65/893809065.db2.gz UOEWOKRSAJEOJO-JTQLQIEISA-N 0 3 298.343 -1.238 20 0 CAADHN Cn1c(C(=O)N(CCO)CCNCC(N)=O)c[nH]c1=O ZINC001501481820 893809905 /nfs/dbraw/zinc/80/99/05/893809905.db2.gz HOSMYDUWWYZSCH-UHFFFAOYSA-N 0 3 285.304 -2.365 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001501499566 893810120 /nfs/dbraw/zinc/81/01/20/893810120.db2.gz NQGQHNLUXFRPBG-WDEREUQCSA-N 0 3 269.345 -1.072 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)Cc1[nH]cnc1C ZINC001501508735 893812725 /nfs/dbraw/zinc/81/27/25/893812725.db2.gz LXQQPQBYXABQAQ-UHFFFAOYSA-N 0 3 297.359 -1.583 20 0 CAADHN Cc1nonc1CC(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001501504398 893812943 /nfs/dbraw/zinc/81/29/43/893812943.db2.gz ZBFXSPBTWFURFM-VIFPVBQESA-N 0 3 299.331 -1.795 20 0 CAADHN O=C(Cc1nnc[nH]1)N(CCO)CCNCCF ZINC001501506484 893815027 /nfs/dbraw/zinc/81/50/27/893815027.db2.gz ZOAASHPVVZGVSA-UHFFFAOYSA-N 0 3 259.285 -1.273 20 0 CAADHN Cc1c[nH]c(C(=O)N(CCO)CCN[C@H]2CCNC2=O)n1 ZINC001501499835 893815141 /nfs/dbraw/zinc/81/51/41/893815141.db2.gz YNTCFUGTTAJAPS-JTQLQIEISA-N 0 3 295.343 -1.369 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)c2cnon2)C1=O ZINC001501501080 893815357 /nfs/dbraw/zinc/81/53/57/893815357.db2.gz OBFPBSWHHYWXEG-VIFPVBQESA-N 0 3 297.315 -1.676 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1cccnn1 ZINC001501501040 893815459 /nfs/dbraw/zinc/81/54/59/893815459.db2.gz MMJOPQPFEZQHCR-UHFFFAOYSA-N 0 3 267.289 -2.014 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@H]2COCCN2CC(N)=O)C1 ZINC001501827773 893824609 /nfs/dbraw/zinc/82/46/09/893824609.db2.gz RYBKAOCDJSLYQT-RYUDHWBXSA-N 0 3 298.387 -1.370 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@H]2COCCN2CC(N)=O)C1 ZINC001501827770 893825571 /nfs/dbraw/zinc/82/55/71/893825571.db2.gz RYBKAOCDJSLYQT-NEPJUHHUSA-N 0 3 298.387 -1.370 20 0 CAADHN NC(=O)CNC1(CNC(=O)CNC(=O)C2CC2)CCC1 ZINC001501920808 893828443 /nfs/dbraw/zinc/82/84/43/893828443.db2.gz BGLZYVYMCWHMCS-UHFFFAOYSA-N 0 3 282.344 -1.374 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CCC(=O)N2)CCC1 ZINC001501925287 893828669 /nfs/dbraw/zinc/82/86/69/893828669.db2.gz LUEZREOEGUJRRA-MRVPVSSYSA-N 0 3 268.317 -1.621 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)[C@H]2COC(=O)N2)CCC1 ZINC001501946994 893829887 /nfs/dbraw/zinc/82/98/87/893829887.db2.gz QJGHUQOGEFHPKN-SECBINFHSA-N 0 3 298.343 -1.189 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)[C@H]2CCNC2=O)CCC1 ZINC001501988707 893831110 /nfs/dbraw/zinc/83/11/10/893831110.db2.gz NCTPXVVRDHBFIT-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN COC[C@H](OC)C(=O)NCC1(NCC(N)=O)CCC1 ZINC001501997824 893831584 /nfs/dbraw/zinc/83/15/84/893831584.db2.gz WMPLBSSBLMBZNR-VIFPVBQESA-N 0 3 273.333 -1.238 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCCN1C(=O)CC(N)=O ZINC001501867872 893831678 /nfs/dbraw/zinc/83/16/78/893831678.db2.gz OMYGHPYDSQKQNQ-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001502041681 893832838 /nfs/dbraw/zinc/83/28/38/893832838.db2.gz PYDAUZCAVYXAQC-SECBINFHSA-N 0 3 267.289 -1.674 20 0 CAADHN Cc1nnc(CC(=O)N2CCO[C@H](CNCC(N)=O)C2)o1 ZINC001502050503 893833068 /nfs/dbraw/zinc/83/30/68/893833068.db2.gz ARKIHCLTSUUBPE-SECBINFHSA-N 0 3 297.315 -1.777 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001502037922 893833427 /nfs/dbraw/zinc/83/34/27/893833427.db2.gz BETPAGSSZILBOQ-JTQLQIEISA-N 0 3 281.316 -1.414 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCCOC2)CCO1 ZINC001502044388 893833705 /nfs/dbraw/zinc/83/37/05/893833705.db2.gz YRKAHXVCJCIILQ-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN CCO[C@H](C)C(=O)N1CCO[C@@H](CNCC(=O)NC)C1 ZINC001502037865 893833932 /nfs/dbraw/zinc/83/39/32/893833932.db2.gz AHMZDRGKLCHXER-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2ncn(C)n2)CCO1)C(N)=O ZINC001502051465 893833980 /nfs/dbraw/zinc/83/39/80/893833980.db2.gz PTYVCYZGKHSGKP-BDAKNGLRSA-N 0 3 296.331 -1.881 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001502044374 893834048 /nfs/dbraw/zinc/83/40/48/893834048.db2.gz YMXSHZMWRFSLIF-NXEZZACHSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1)C(N)=O ZINC001502040739 893834201 /nfs/dbraw/zinc/83/42/01/893834201.db2.gz GPUTWWDFIGOGLX-SCZZXKLOSA-N 0 3 281.316 -1.286 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1)C(N)=O ZINC001502046784 893834508 /nfs/dbraw/zinc/83/45/08/893834508.db2.gz ZIYOXQLBORJOAF-KOLCDFICSA-N 0 3 295.343 -1.357 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001502036301 893834798 /nfs/dbraw/zinc/83/47/98/893834798.db2.gz OWYAAHHGTQPLFM-SECBINFHSA-N 0 3 279.300 -1.608 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cnns2)CCO1)C(N)=O ZINC001502042136 893834958 /nfs/dbraw/zinc/83/49/58/893834958.db2.gz YGILNWQEKNCNFS-JGVFFNPUSA-N 0 3 299.356 -1.158 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1)C(N)=O ZINC001502040741 893835081 /nfs/dbraw/zinc/83/50/81/893835081.db2.gz GPUTWWDFIGOGLX-WPRPVWTQSA-N 0 3 281.316 -1.286 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cn2cccn2)CCO1 ZINC001502038360 893835395 /nfs/dbraw/zinc/83/53/95/893835395.db2.gz KITPKBPOANFFLU-JTQLQIEISA-N 0 3 281.316 -1.815 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)Cc2ccon2)CCO1 ZINC001502045803 893835550 /nfs/dbraw/zinc/83/55/50/893835550.db2.gz HJXCWLUKDJPYQW-LLVKDONJSA-N 0 3 296.327 -1.220 20 0 CAADHN CC(=O)N1CCO[C@@H](CNCC(=O)NC[C@@H]2CCOC2)C1 ZINC001502034050 893835862 /nfs/dbraw/zinc/83/58/62/893835862.db2.gz QILDCJSFUHDRRX-STQMWFEESA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001502036302 893836502 /nfs/dbraw/zinc/83/65/02/893836502.db2.gz OWYAAHHGTQPLFM-VIFPVBQESA-N 0 3 279.300 -1.608 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1)C(N)=O ZINC001502051466 893836772 /nfs/dbraw/zinc/83/67/72/893836772.db2.gz PTYVCYZGKHSGKP-DTWKUNHWSA-N 0 3 296.331 -1.881 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2ccon2)CCO1)C(N)=O ZINC001502042029 893837084 /nfs/dbraw/zinc/83/70/84/893837084.db2.gz WVZOWSOFBPVULP-BDAKNGLRSA-N 0 3 282.300 -1.021 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001502082969 893838656 /nfs/dbraw/zinc/83/86/56/893838656.db2.gz QECJUTJIEGSPPU-QMMMGPOBSA-N 0 3 282.304 -2.019 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cnon2)CCO1)C(N)=O ZINC001502082593 893838763 /nfs/dbraw/zinc/83/87/63/893838763.db2.gz JEHWITORQLTPGE-JGVFFNPUSA-N 0 3 283.288 -1.626 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)C(N)=O)CCO1)C(N)=O ZINC001502074382 893839206 /nfs/dbraw/zinc/83/92/06/893839206.db2.gz GCWWAJGGCSTAPT-BQBZGAKWSA-N 0 3 258.278 -2.838 20 0 CAADHN CO[C@@H](C(=O)N1CCO[C@@H](CNCC(N)=O)C1)C(C)C ZINC001502074608 893839336 /nfs/dbraw/zinc/83/93/36/893839336.db2.gz KWRGWRUTOOUWFM-CMPLNLGQSA-N 0 3 287.360 -1.040 20 0 CAADHN COC[C@H](OC)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001502077441 893839722 /nfs/dbraw/zinc/83/97/22/893839722.db2.gz WDQJYLFOOXLHGZ-UWVGGRQHSA-N 0 3 289.332 -2.050 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C(=O)NCC2CC2)CCO1 ZINC001502082419 893840104 /nfs/dbraw/zinc/84/01/04/893840104.db2.gz GDLVUFZXRYGGKK-SNVBAGLBSA-N 0 3 298.343 -2.185 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)C(N)=O)CCO1)C(N)=O ZINC001502074385 893840148 /nfs/dbraw/zinc/84/01/48/893840148.db2.gz GCWWAJGGCSTAPT-RQJHMYQMSA-N 0 3 258.278 -2.838 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cnn(C)n2)CCO1)C(N)=O ZINC001502080979 893840335 /nfs/dbraw/zinc/84/03/35/893840335.db2.gz ILGABMZSJRNGHD-IUCAKERBSA-N 0 3 296.331 -1.881 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001502075251 893841175 /nfs/dbraw/zinc/84/11/75/893841175.db2.gz XYGKRWKTLOOWPX-JGVFFNPUSA-N 0 3 285.304 -3.030 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)Cc2cnoc2)CCO1 ZINC001502072556 893841556 /nfs/dbraw/zinc/84/15/56/893841556.db2.gz PLYXEZDPKRIVEE-LLVKDONJSA-N 0 3 296.327 -1.220 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001502079441 893841749 /nfs/dbraw/zinc/84/17/49/893841749.db2.gz QFBYVINUHXYPTA-SNVBAGLBSA-N 0 3 281.316 -1.746 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cnon2)CCO1)C(N)=O ZINC001502082592 893841780 /nfs/dbraw/zinc/84/17/80/893841780.db2.gz JEHWITORQLTPGE-HTQZYQBOSA-N 0 3 283.288 -1.626 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2c[nH]nc2C)CCO1 ZINC001502069397 893842149 /nfs/dbraw/zinc/84/21/49/893842149.db2.gz WJHJQIDAADCZNW-SNVBAGLBSA-N 0 3 295.343 -1.105 20 0 CAADHN COCCCN1CCN([C@H]2CCN(C(=O)C(N)=O)C2)CC1 ZINC001502102312 893846825 /nfs/dbraw/zinc/84/68/25/893846825.db2.gz UVGQESFOUWSGEH-LBPRGKRZSA-N 0 3 298.387 -1.273 20 0 CAADHN O=C(NCC1CC1)C(=O)N1CCC[C@](CO)(NCCO)C1 ZINC001502594095 893854624 /nfs/dbraw/zinc/85/46/24/893854624.db2.gz UVJLXEYCUJDNNB-AWEZNQCLSA-N 0 3 299.371 -1.552 20 0 CAADHN O=C(NCC1CC1)C(=O)N1CCC[C@@](CO)(NCCO)C1 ZINC001502594096 893854861 /nfs/dbraw/zinc/85/48/61/893854861.db2.gz UVJLXEYCUJDNNB-CQSZACIVSA-N 0 3 299.371 -1.552 20 0 CAADHN CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001502748574 893858191 /nfs/dbraw/zinc/85/81/91/893858191.db2.gz VXMPXPCFIZPEFP-BDAKNGLRSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1C ZINC001502700299 893858349 /nfs/dbraw/zinc/85/83/49/893858349.db2.gz BLDNFWRSXIXZHE-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN Cn1ccc(C(=O)NC2(CNCC(N)=O)CCOCC2)n1 ZINC001502643327 893858747 /nfs/dbraw/zinc/85/87/47/893858747.db2.gz DSBYLQVEJLGJAL-UHFFFAOYSA-N 0 3 295.343 -1.226 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1C ZINC001502700298 893859137 /nfs/dbraw/zinc/85/91/37/893859137.db2.gz BLDNFWRSXIXZHE-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)C[C@@H]1C ZINC001502748575 893859371 /nfs/dbraw/zinc/85/93/71/893859371.db2.gz VXMPXPCFIZPEFP-DTWKUNHWSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@@H]1C ZINC001502719005 893859835 /nfs/dbraw/zinc/85/98/35/893859835.db2.gz NBXLXFPWLWVROP-DTWKUNHWSA-N 0 3 285.348 -1.902 20 0 CAADHN C[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1NCC(=O)N(C)C ZINC001502734848 893860067 /nfs/dbraw/zinc/86/00/67/893860067.db2.gz LSXODWRCEPRIAD-DTWKUNHWSA-N 0 3 295.347 -1.652 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001502698073 893861412 /nfs/dbraw/zinc/86/14/12/893861412.db2.gz LIGIWXQPEVZEJB-GXSJLCMTSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)c2cocn2)CC1 ZINC001502858233 893863313 /nfs/dbraw/zinc/86/33/13/893863313.db2.gz AKHGMRLOBNJVRY-UHFFFAOYSA-N 0 3 296.327 -1.023 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)C2CC2)CC1 ZINC001502848135 893864420 /nfs/dbraw/zinc/86/44/20/893864420.db2.gz HCPUVHYJGNOXTH-UHFFFAOYSA-N 0 3 255.318 -1.175 20 0 CAADHN COCCN1CCC(CO)(NC(=O)CNC(C)=O)CC1 ZINC001503828603 893867112 /nfs/dbraw/zinc/86/71/12/893867112.db2.gz BSLQNHDXONHRTO-UHFFFAOYSA-N 0 3 287.360 -1.288 20 0 CAADHN C[C@@H](CCNC(=O)C(N)=O)NCc1ccn(C)n1 ZINC001503457809 893867354 /nfs/dbraw/zinc/86/73/54/893867354.db2.gz FRABWMXTRWCKMR-QMMMGPOBSA-N 0 3 253.306 -1.110 20 0 CAADHN C[C@@H](CCNC(=O)CC(N)=O)NCC(=O)Nc1ccon1 ZINC001503133493 893867958 /nfs/dbraw/zinc/86/79/58/893867958.db2.gz SNHXGVMYNGQWLK-QMMMGPOBSA-N 0 3 297.315 -1.027 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1cncnc1 ZINC001505591324 893879055 /nfs/dbraw/zinc/87/90/55/893879055.db2.gz HXNRGLQTUIUXMM-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN CC(=O)N[C@H](C)[C@@H](C)NCC(=O)N1CCNC(=O)C1 ZINC001505540332 893879236 /nfs/dbraw/zinc/87/92/36/893879236.db2.gz DVUFOCKYFSLUGY-RKDXNWHRSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCn1ccnn1 ZINC001505597041 893879276 /nfs/dbraw/zinc/87/92/76/893879276.db2.gz ZIUMSMDTQXWVPO-RKDXNWHRSA-N 0 3 268.321 -1.364 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCn1ccnn1 ZINC001505595734 893879396 /nfs/dbraw/zinc/87/93/96/893879396.db2.gz QHMQGLMUFLNIFE-NXEZZACHSA-N 0 3 282.348 -1.103 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cncnc1 ZINC001505591326 893879754 /nfs/dbraw/zinc/87/97/54/893879754.db2.gz HXNRGLQTUIUXMM-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001505561633 893879869 /nfs/dbraw/zinc/87/98/69/893879869.db2.gz MLQNKQKVNDARKP-HTQZYQBOSA-N 0 3 258.322 -1.567 20 0 CAADHN C[C@@H]([NH2+]CC(N)=O)[C@H](C)NC(=O)CCc1nnc[n-]1 ZINC001505581352 893880650 /nfs/dbraw/zinc/88/06/50/893880650.db2.gz IJTFNUFIJDVHIT-SFYZADRCSA-N 0 3 268.321 -1.295 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCn1ccnn1 ZINC001505595737 893881392 /nfs/dbraw/zinc/88/13/92/893881392.db2.gz QHMQGLMUFLNIFE-ZJUUUORDSA-N 0 3 282.348 -1.103 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)COC ZINC001505540367 893881462 /nfs/dbraw/zinc/88/14/62/893881462.db2.gz DZIWNCPVCAFJTO-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)[C@H](C)NCC(=O)N(C)C ZINC001505548135 893881761 /nfs/dbraw/zinc/88/17/61/893881761.db2.gz UKOLGMLYYPUXTA-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCn1ccnn1 ZINC001505595736 893882570 /nfs/dbraw/zinc/88/25/70/893882570.db2.gz QHMQGLMUFLNIFE-VHSXEESVSA-N 0 3 282.348 -1.103 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)COC ZINC001505540365 893882998 /nfs/dbraw/zinc/88/29/98/893882998.db2.gz DZIWNCPVCAFJTO-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cnn(C)c1 ZINC001505554180 893883042 /nfs/dbraw/zinc/88/30/42/893883042.db2.gz JTXOMNRMYCDUME-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](NC(=O)c1cnn(C)c1)[C@H](C)NCC(=O)NC(N)=O ZINC001505554177 893883109 /nfs/dbraw/zinc/88/31/09/893883109.db2.gz JTXOMNRMYCDUME-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001505606669 893883502 /nfs/dbraw/zinc/88/35/02/893883502.db2.gz VODFEAFZNSQOBQ-RKDXNWHRSA-N 0 3 283.336 -1.708 20 0 CAADHN CCn1ncc(C(=O)N[C@H](C)[C@H](C)NCC(N)=O)n1 ZINC001505599649 893883812 /nfs/dbraw/zinc/88/38/12/893883812.db2.gz PBUNPDGWXALQJC-JGVFFNPUSA-N 0 3 268.321 -1.120 20 0 CAADHN C[C@@H](NC(=O)Cc1ccn(C)n1)[C@H](C)NCC(N)=O ZINC001505602591 893884639 /nfs/dbraw/zinc/88/46/39/893884639.db2.gz KSGZVQGRCPBOIT-DTWKUNHWSA-N 0 3 267.333 -1.069 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001505628858 893884667 /nfs/dbraw/zinc/88/46/67/893884667.db2.gz KZWTXZZTHAGSRX-SFYZADRCSA-N 0 3 272.349 -1.273 20 0 CAADHN CCn1ncc(C(=O)N[C@@H](C)[C@@H](C)NCC(N)=O)n1 ZINC001505599650 893885106 /nfs/dbraw/zinc/88/51/06/893885106.db2.gz PBUNPDGWXALQJC-SFYZADRCSA-N 0 3 268.321 -1.120 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001505606668 893886645 /nfs/dbraw/zinc/88/66/45/893886645.db2.gz VODFEAFZNSQOBQ-IUCAKERBSA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cnc2n1CCOC2 ZINC001505625627 893886863 /nfs/dbraw/zinc/88/68/63/893886863.db2.gz MCRJSMDHTUDIIC-RKDXNWHRSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CCS(C)(=O)=O ZINC001505636301 893887371 /nfs/dbraw/zinc/88/73/71/893887371.db2.gz BPJJPLFXORFUMT-HTQZYQBOSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cnn(C)n1 ZINC001505710450 893889335 /nfs/dbraw/zinc/88/93/35/893889335.db2.gz QMEUNGNDUTXNBB-RQJHMYQMSA-N 0 3 254.294 -1.603 20 0 CAADHN CC(C)N(C)C(=O)CN[C@H](C)[C@H](C)NC(=O)C(N)=O ZINC001505682378 893890897 /nfs/dbraw/zinc/89/08/97/893890897.db2.gz SEWSFVHODUAAQV-BDAKNGLRSA-N 0 3 272.349 -1.179 20 0 CAADHN CCCNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001505670519 893891413 /nfs/dbraw/zinc/89/14/13/893891413.db2.gz FUAPMCWGOKVKMW-BDAKNGLRSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cnn(C)n1 ZINC001505710447 893892369 /nfs/dbraw/zinc/89/23/69/893892369.db2.gz QMEUNGNDUTXNBB-BQBZGAKWSA-N 0 3 254.294 -1.603 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001505757511 893893236 /nfs/dbraw/zinc/89/32/36/893893236.db2.gz RJWSXMQMXDLCLA-RKDXNWHRSA-N 0 3 293.389 -1.222 20 0 CAADHN C[C@H](NCCF)[C@H](C)NC(=O)c1cn(CC(N)=O)nn1 ZINC001505760673 893893259 /nfs/dbraw/zinc/89/32/59/893893259.db2.gz NXLPELKVDQUXOU-YUMQZZPRSA-N 0 3 286.311 -1.171 20 0 CAADHN C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)CCNC(N)=O ZINC001505751227 893893737 /nfs/dbraw/zinc/89/37/37/893893737.db2.gz WXKBBWQTMRBVQV-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N1CC[C@H]1CNC(=O)C(N)=O ZINC001505856848 893894457 /nfs/dbraw/zinc/89/44/57/893894457.db2.gz FIDQULAFWKSCGZ-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(C)C1(C(=O)NC[C@H]2CCN2C(=O)C(N)=O)CCC1 ZINC001505762796 893894942 /nfs/dbraw/zinc/89/49/42/893894942.db2.gz XPTNDUOEUTZOJA-SECBINFHSA-N 0 3 282.344 -1.327 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@H]1CNC(=O)C(N)=O)N(C)C ZINC001505856655 893894982 /nfs/dbraw/zinc/89/49/82/893894982.db2.gz BBWQSYHXEMDVOD-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN COCC(=O)NC[C@H](C)N(C)CCN1C(=O)CNC1=O ZINC001505852764 893895690 /nfs/dbraw/zinc/89/56/90/893895690.db2.gz WGVRXLAQLOWBGK-VIFPVBQESA-N 0 3 286.332 -1.379 20 0 CAADHN COCC(=O)NC[C@@H](C)N(C)CCN1C(=O)CNC1=O ZINC001505852763 893896078 /nfs/dbraw/zinc/89/60/78/893896078.db2.gz WGVRXLAQLOWBGK-SECBINFHSA-N 0 3 286.332 -1.379 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)C(N)=O ZINC001505730222 893896782 /nfs/dbraw/zinc/89/67/82/893896782.db2.gz UAXCOGIQGVJNMV-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)C1 ZINC001505889129 893901403 /nfs/dbraw/zinc/90/14/03/893901403.db2.gz IMMWLQFYBCVLHU-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001505857407 893901894 /nfs/dbraw/zinc/90/18/94/893901894.db2.gz RRIHKARWWSYACA-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H](CNC(=O)Cc1cnc[nH]1)N(C)CC(=O)NC(N)=O ZINC001506010950 893912279 /nfs/dbraw/zinc/91/22/79/893912279.db2.gz YVANBFRLGLCDSY-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H](C)N(C)CCO ZINC001506060487 893918394 /nfs/dbraw/zinc/91/83/94/893918394.db2.gz DFGQPDSIYKTGGZ-QMMMGPOBSA-N 0 3 267.351 -2.036 20 0 CAADHN CCN(CC)CC(=O)NC1(CNC(=O)C(N)=O)CC1 ZINC001506191803 893925610 /nfs/dbraw/zinc/92/56/10/893925610.db2.gz UJLMARWCQODYDP-UHFFFAOYSA-N 0 3 270.333 -1.422 20 0 CAADHN CC[C@@H](C(=O)N(C)C1CN(C(=O)CC(N)=O)C1)N(C)C ZINC001506311601 893928132 /nfs/dbraw/zinc/92/81/32/893928132.db2.gz MVZJXZUEVURAGH-JTQLQIEISA-N 0 3 284.360 -1.129 20 0 CAADHN CCN(CC)CC(=O)N1CC(N(C)C(=O)CC(N)=O)C1 ZINC001506271868 893928264 /nfs/dbraw/zinc/92/82/64/893928264.db2.gz GMDTZPUKTCYUAS-UHFFFAOYSA-N 0 3 284.360 -1.127 20 0 CAADHN C[C@H](CN(C)C(=O)CC(N)=O)N[C@@H](C)C(=O)N(C)C ZINC001507057434 893954956 /nfs/dbraw/zinc/95/49/56/893954956.db2.gz XLGHYYOPQJQQEA-BDAKNGLRSA-N 0 3 272.349 -1.225 20 0 CAADHN COC[C@H](O)CN1CCCCC[C@H]1CNC(=O)C(N)=O ZINC001506574826 893932184 /nfs/dbraw/zinc/93/21/84/893932184.db2.gz XZDSDVBVPOAMGJ-WDEREUQCSA-N 0 3 287.360 -1.160 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)C1CN(CCCO)C1 ZINC001506620801 893934983 /nfs/dbraw/zinc/93/49/83/893934983.db2.gz WUDUZLDLHVRBFK-SECBINFHSA-N 0 3 272.349 -1.266 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@@H]1CN(C(C)=O)CCO1 ZINC001506837696 893941833 /nfs/dbraw/zinc/94/18/33/893941833.db2.gz ULEQYYHVKGLETG-WPRPVWTQSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@@H]1CN(C(=O)C2CC2)CCO1 ZINC001506831690 893942752 /nfs/dbraw/zinc/94/27/52/893942752.db2.gz IDHKBFXXYOARFK-WPRPVWTQSA-N 0 3 298.343 -1.203 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ccon2)CCO1 ZINC001506839853 893942846 /nfs/dbraw/zinc/94/28/46/893942846.db2.gz VCKMGHQOIWVXFS-WPRPVWTQSA-N 0 3 282.300 -1.021 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001506832971 893942912 /nfs/dbraw/zinc/94/29/12/893942912.db2.gz KPPCXEZIICBKAV-GXSJLCMTSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001506835770 893943344 /nfs/dbraw/zinc/94/33/44/893943344.db2.gz QLAZSFACGHKFGN-ONGXEEELSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001506832975 893944049 /nfs/dbraw/zinc/94/40/49/893944049.db2.gz KPPCXEZIICBKAV-KOLCDFICSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001506840215 893944273 /nfs/dbraw/zinc/94/42/73/893944273.db2.gz PLWQEPORGHXRCH-MWLCHTKSSA-N 0 3 295.343 -1.276 20 0 CAADHN CN(C(=O)C(N)=O)[C@@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001507021124 893949598 /nfs/dbraw/zinc/94/95/98/893949598.db2.gz CBVMUMYMMVLERY-UWVGGRQHSA-N 0 3 282.344 -1.471 20 0 CAADHN CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H](CNCC(N)=O)C1CC1 ZINC001507018043 893950361 /nfs/dbraw/zinc/95/03/61/893950361.db2.gz GUFNGEQVUTUFFX-NXEZZACHSA-N 0 3 297.359 -1.678 20 0 CAADHN COCC(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)NC(N)=O ZINC001507043014 893950613 /nfs/dbraw/zinc/95/06/13/893950613.db2.gz VDCVKHYCFLWRQP-HTQZYQBOSA-N 0 3 274.321 -1.347 20 0 CAADHN COCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)NC(N)=O ZINC001507043019 893950884 /nfs/dbraw/zinc/95/08/84/893950884.db2.gz VDCVKHYCFLWRQP-SFYZADRCSA-N 0 3 274.321 -1.347 20 0 CAADHN CN(C(=O)C(N)=O)[C@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001507021123 893951682 /nfs/dbraw/zinc/95/16/82/893951682.db2.gz CBVMUMYMMVLERY-NXEZZACHSA-N 0 3 282.344 -1.471 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001507003745 893952033 /nfs/dbraw/zinc/95/20/33/893952033.db2.gz XTRVOINNAXWJSD-GHMZBOCLSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001507005900 893953000 /nfs/dbraw/zinc/95/30/00/893953000.db2.gz CFWZAVFNVRJQPJ-NXEZZACHSA-N 0 3 298.343 -1.333 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001507111221 893954329 /nfs/dbraw/zinc/95/43/29/893954329.db2.gz RYDHNQHBBOQKFO-IUCAKERBSA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)NCC(N)=O ZINC001507083858 893954512 /nfs/dbraw/zinc/95/45/12/893954512.db2.gz WDRDSYKCALHTKV-RKDXNWHRSA-N 0 3 270.333 -1.614 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001507112531 893954544 /nfs/dbraw/zinc/95/45/44/893954544.db2.gz UKCDWOCCUTWVHU-VIFPVBQESA-N 0 3 297.363 -1.262 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001507112419 893956077 /nfs/dbraw/zinc/95/60/77/893956077.db2.gz SZAAUBGPFXEGEK-ZETCQYMHSA-N 0 3 269.309 -1.994 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnnn1C)N[C@H](C)C(N)=O ZINC001507071092 893956206 /nfs/dbraw/zinc/95/62/06/893956206.db2.gz XCWVVIADJUZUKD-HTQZYQBOSA-N 0 3 268.321 -1.261 20 0 CAADHN C[C@H](CN(C)C(=O)c1cc(=O)n(C)cn1)N[C@H](C)C(N)=O ZINC001507086330 893956268 /nfs/dbraw/zinc/95/62/68/893956268.db2.gz RRIKDVONNQKXBR-RKDXNWHRSA-N 0 3 295.343 -1.296 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@H](C)N[C@H]1CCNC1=O ZINC001507066703 893956374 /nfs/dbraw/zinc/95/63/74/893956374.db2.gz URMSXEWNKNXUJY-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)NCC(N)=O)C1 ZINC001507069408 893956937 /nfs/dbraw/zinc/95/69/37/893956937.db2.gz FOUZBOAEILLWBQ-MRVPVSSYSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001507064584 893957240 /nfs/dbraw/zinc/95/72/40/893957240.db2.gz WSGGZJYZYNAJDK-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O ZINC001507073192 893957270 /nfs/dbraw/zinc/95/72/70/893957270.db2.gz APQZRXTVSYAJDR-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](CN(C)C(=O)CC(N)=O)N[C@H]1CCCN(C)C1=O ZINC001507056989 893957630 /nfs/dbraw/zinc/95/76/30/893957630.db2.gz UUBLHIWNISHHLO-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nccnc1N)N[C@@H]1CCNC1=O ZINC001507054033 893957769 /nfs/dbraw/zinc/95/77/69/893957769.db2.gz BSOATODCLZTOCP-DTWKUNHWSA-N 0 3 292.343 -1.003 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@@H]1NC(=O)NC1=O)NCCF ZINC001507089335 893957885 /nfs/dbraw/zinc/95/78/85/893957885.db2.gz AOAUERCVGRDVIZ-YUMQZZPRSA-N 0 3 274.296 -1.010 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)NCC(N)=O ZINC001507086961 893958109 /nfs/dbraw/zinc/95/81/09/893958109.db2.gz GDYLUDGBLMKNQS-TVQRCGJNSA-N 0 3 284.360 -1.176 20 0 CAADHN CCCC(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001507165436 893959051 /nfs/dbraw/zinc/95/90/51/893959051.db2.gz ASPOUASFWGTNTE-SNVBAGLBSA-N 0 3 272.349 -1.122 20 0 CAADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)N[C@@H](C)C(N)=O ZINC001507113777 893959497 /nfs/dbraw/zinc/95/94/97/893959497.db2.gz DBIKMMXPNOUXNN-SFYZADRCSA-N 0 3 281.316 -1.306 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nc[n-]n1)[NH2+][C@H]1CCNC1=O ZINC001507134129 893959522 /nfs/dbraw/zinc/95/95/22/893959522.db2.gz AZQOZJVVIKBUAY-YUMQZZPRSA-N 0 3 266.305 -1.257 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CCCC(N)=O ZINC001507164568 893960118 /nfs/dbraw/zinc/96/01/18/893960118.db2.gz QLIXSVDDDPYSPV-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H](COC)OC ZINC001507122086 893960504 /nfs/dbraw/zinc/96/05/04/893960504.db2.gz PNWZIZIRQVCBFW-ZJUUUORDSA-N 0 3 275.349 -1.170 20 0 CAADHN C[C@H](CN(C)C(=O)c1nc[n-]n1)[NH2+][C@@H]1CCNC1=O ZINC001507134125 893960984 /nfs/dbraw/zinc/96/09/84/893960984.db2.gz AZQOZJVVIKBUAY-HTQZYQBOSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C1=O)NCC(=O)N(C)C ZINC001507114542 893961413 /nfs/dbraw/zinc/96/14/13/893961413.db2.gz SAMDVYFXWXQQDI-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CCNC(N)=O ZINC001507154855 893961705 /nfs/dbraw/zinc/96/17/05/893961705.db2.gz YZMTUJZPUSHKSV-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H](COC)OC ZINC001507122085 893962055 /nfs/dbraw/zinc/96/20/55/893962055.db2.gz PNWZIZIRQVCBFW-VHSXEESVSA-N 0 3 275.349 -1.170 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)NCC(N)=O ZINC001507126543 893962848 /nfs/dbraw/zinc/96/28/48/893962848.db2.gz MRDHSKAZGPWPJY-HRDYMLBCSA-N 0 3 286.332 -2.059 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001507121976 893962634 /nfs/dbraw/zinc/96/26/34/893962634.db2.gz MTYFYKMZHJQBPV-ZANVPECISA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nc2ncccn2n1)NCC(N)=O ZINC001507135096 893962777 /nfs/dbraw/zinc/96/27/77/893962777.db2.gz FVLGCBAZNUINBY-QMMMGPOBSA-N 0 3 291.315 -1.340 20 0 CAADHN CCOCC(=O)NC[C@H](CO)NCc1ccn(C)c(=O)c1 ZINC001507170997 893964089 /nfs/dbraw/zinc/96/40/89/893964089.db2.gz HVHOJYXFSQFZKE-GFCCVEGCSA-N 0 3 297.355 -1.012 20 0 CAADHN COCC(=O)NC[C@H](CO)NCCN1CCCC1=O ZINC001507169474 893964948 /nfs/dbraw/zinc/96/49/48/893964948.db2.gz VTYYRVKSRPXTPH-SNVBAGLBSA-N 0 3 273.333 -1.678 20 0 CAADHN COCC(=O)NC[C@H](CO)NCCn1cncn1 ZINC001507168357 893965285 /nfs/dbraw/zinc/96/52/85/893965285.db2.gz PKMQNOAHCNUJFM-SECBINFHSA-N 0 3 257.294 -2.009 20 0 CAADHN CCOCC(=O)NC[C@@H](CO)NCc1ccn(C)c(=O)c1 ZINC001507170998 893965580 /nfs/dbraw/zinc/96/55/80/893965580.db2.gz HVHOJYXFSQFZKE-LBPRGKRZSA-N 0 3 297.355 -1.012 20 0 CAADHN CC(C)=CCN[C@@H](CO)CNC(=O)Cn1cnnn1 ZINC001507175032 893970036 /nfs/dbraw/zinc/97/00/36/893970036.db2.gz NIFRETZQTBMWFS-SNVBAGLBSA-N 0 3 268.321 -1.294 20 0 CAADHN CC(C)=CCN[C@H](CO)CNC(=O)Cn1cnnn1 ZINC001507175031 893970773 /nfs/dbraw/zinc/97/07/73/893970773.db2.gz NIFRETZQTBMWFS-JTQLQIEISA-N 0 3 268.321 -1.294 20 0 CAADHN O=C(NCCN[C@@H](CO)CNC(=O)[C@@H]1CCCO1)C1CC1 ZINC001507175960 893970923 /nfs/dbraw/zinc/97/09/23/893970923.db2.gz UUVKXRAUXVMFQC-NEPJUHHUSA-N 0 3 299.371 -1.242 20 0 CAADHN O=C(NC[C@@H](CO)NCCOC1CCC1)[C@H]1CCC(=O)N1 ZINC001507179527 893975031 /nfs/dbraw/zinc/97/50/31/893975031.db2.gz QVHUVWIFALXSBW-CMPLNLGQSA-N 0 3 299.371 -1.099 20 0 CAADHN O=C(NC[C@H](CO)NCCNC(=O)C1CC1)c1cn[nH]c1 ZINC001507180232 893975199 /nfs/dbraw/zinc/97/51/99/893975199.db2.gz ZJVNOFHQTWBLQQ-LLVKDONJSA-N 0 3 295.343 -1.384 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](CO)NCCN1CCCC1=O ZINC001507181677 893978092 /nfs/dbraw/zinc/97/80/92/893978092.db2.gz XTGHFSYMDCCKIM-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](CO)NCCN1CCCC1=O ZINC001507181678 893979897 /nfs/dbraw/zinc/97/98/97/893979897.db2.gz XTGHFSYMDCCKIM-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001507187760 893983776 /nfs/dbraw/zinc/98/37/76/893983776.db2.gz GTMNNAVEOMYSNP-VHSXEESVSA-N 0 3 274.317 -1.347 20 0 CAADHN CN(C)C(=O)CN[C@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001507185042 893983974 /nfs/dbraw/zinc/98/39/74/893983974.db2.gz IBKBBTYGBJBLAM-VIFPVBQESA-N 0 3 298.347 -2.108 20 0 CAADHN CC(C)OCCN[C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001507188685 893984005 /nfs/dbraw/zinc/98/40/05/893984005.db2.gz LRWNONIAGRAGLO-SNVBAGLBSA-N 0 3 285.348 -1.080 20 0 CAADHN Cc1nc(CC(=O)NC[C@H](CO)NCCF)n[nH]1 ZINC001507196156 893987697 /nfs/dbraw/zinc/98/76/97/893987697.db2.gz ZJABSXSWKQQLOK-MRVPVSSYSA-N 0 3 259.285 -1.308 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H](C)NC(N)=O ZINC001507194950 893987909 /nfs/dbraw/zinc/98/79/09/893987909.db2.gz SENRBPHGZORHRX-YUMQZZPRSA-N 0 3 262.310 -2.244 20 0 CAADHN C[C@H](C(=O)NC[C@H](CO)NCCO)S(C)(=O)=O ZINC001507202352 893991806 /nfs/dbraw/zinc/99/18/06/893991806.db2.gz NMUSXOHFBPMHFD-HTQZYQBOSA-N 0 3 268.335 -2.522 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cn2c(n1)COCC2 ZINC001507202807 893991840 /nfs/dbraw/zinc/99/18/40/893991840.db2.gz OMJXQUGGFUTQEM-JTQLQIEISA-N 0 3 298.343 -1.260 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001507199629 893991970 /nfs/dbraw/zinc/99/19/70/893991970.db2.gz OOKUCUDFPWMFMG-SECBINFHSA-N 0 3 280.346 -2.256 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001507199139 893992494 /nfs/dbraw/zinc/99/24/94/893992494.db2.gz JDHDKRINTBTPAE-JTQLQIEISA-N 0 3 294.373 -1.866 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](CO)NCCOC ZINC001507201310 893992733 /nfs/dbraw/zinc/99/27/33/893992733.db2.gz HJABRTFILQIDDU-MRVPVSSYSA-N 0 3 262.310 -2.372 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cn2c(n1)COCC2 ZINC001507202810 893993415 /nfs/dbraw/zinc/99/34/15/893993415.db2.gz OMJXQUGGFUTQEM-SNVBAGLBSA-N 0 3 298.343 -1.260 20 0 CAADHN C[C@@H](C(=O)NC[C@H](CO)NCCO)S(C)(=O)=O ZINC001507202353 893993627 /nfs/dbraw/zinc/99/36/27/893993627.db2.gz NMUSXOHFBPMHFD-JGVFFNPUSA-N 0 3 268.335 -2.522 20 0 CAADHN O=C(CC1CS(=O)(=O)C1)NC[C@H](CO)NCCO ZINC001507212637 893995363 /nfs/dbraw/zinc/99/53/63/893995363.db2.gz XGRRKKZFYKMKAO-SECBINFHSA-N 0 3 280.346 -2.520 20 0 CAADHN O=C(CC1CS(=O)(=O)C1)NC[C@@H](CO)NCCO ZINC001507212638 893995507 /nfs/dbraw/zinc/99/55/07/893995507.db2.gz XGRRKKZFYKMKAO-VIFPVBQESA-N 0 3 280.346 -2.520 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001507208081 893995633 /nfs/dbraw/zinc/99/56/33/893995633.db2.gz XBANBUMXFLPZEP-GXFFZTMASA-N 0 3 287.360 -1.384 20 0 CAADHN O=C(NCC(F)F)C(=O)NC[C@H](CO)NCCO ZINC001507212334 893996476 /nfs/dbraw/zinc/99/64/76/893996476.db2.gz SZCZFZFFDGLZEV-ZCFIWIBFSA-N 0 3 269.248 -2.573 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C[C@@H]1CCNC1=O ZINC001507207814 893996806 /nfs/dbraw/zinc/99/68/06/893996806.db2.gz FCNCMSACSHTPJC-UWVGGRQHSA-N 0 3 273.333 -1.774 20 0 CAADHN C[C@@H](CN[C@H](CO)CNC(=O)C(N)=O)CS(C)(=O)=O ZINC001507233072 894008792 /nfs/dbraw/zinc/00/87/92/894008792.db2.gz RPUALHAZVFVWJY-YUMQZZPRSA-N 0 3 295.361 -2.781 20 0 CAADHN Cn1ccc(CN[C@@H](CO)CNC(=O)C(N)=O)cc1=O ZINC001507233095 894009744 /nfs/dbraw/zinc/00/97/44/894009744.db2.gz RZKUPBQBOVPOEZ-SECBINFHSA-N 0 3 282.300 -2.563 20 0 CAADHN C[C@@H](CN[C@@H](CO)CNC(=O)C(N)=O)CS(C)(=O)=O ZINC001507233070 894011551 /nfs/dbraw/zinc/01/15/51/894011551.db2.gz RPUALHAZVFVWJY-JGVFFNPUSA-N 0 3 295.361 -2.781 20 0 CAADHN O=C(NC[C@H](CO)NCc1cnon1)c1[nH]ncc1F ZINC001507235323 894011787 /nfs/dbraw/zinc/01/17/87/894011787.db2.gz PIXWYAOZTNSNOB-SSDOTTSWSA-N 0 3 284.251 -1.188 20 0 CAADHN C[C@H](CN[C@@H](CO)CNC(=O)C(N)=O)CS(C)(=O)=O ZINC001507233069 894011888 /nfs/dbraw/zinc/01/18/88/894011888.db2.gz RPUALHAZVFVWJY-HTQZYQBOSA-N 0 3 295.361 -2.781 20 0 CAADHN Cc1nc(CN[C@H](CO)CNC(=O)c2n[nH]cc2F)n[nH]1 ZINC001507235684 894017006 /nfs/dbraw/zinc/01/70/06/894017006.db2.gz XWYYKGYXRIPZOC-ZETCQYMHSA-N 0 3 297.294 -1.144 20 0 CAADHN O=C(CCc1cn[nH]n1)NC[C@H](CO)N[C@H]1CCNC1=O ZINC001507237495 894017091 /nfs/dbraw/zinc/01/70/91/894017091.db2.gz FZEDHWDGJZMWDD-ZJUUUORDSA-N 0 3 296.331 -2.308 20 0 CAADHN O=C(CCc1c[nH]nn1)NC[C@H](CO)N[C@H]1CCNC1=O ZINC001507237495 894017109 /nfs/dbraw/zinc/01/71/09/894017109.db2.gz FZEDHWDGJZMWDD-ZJUUUORDSA-N 0 3 296.331 -2.308 20 0 CAADHN O=C(CCc1cn[nH]n1)NC[C@@H](CO)N[C@@H]1CCNC1=O ZINC001507237494 894019017 /nfs/dbraw/zinc/01/90/17/894019017.db2.gz FZEDHWDGJZMWDD-VHSXEESVSA-N 0 3 296.331 -2.308 20 0 CAADHN O=C(CCc1c[nH]nn1)NC[C@@H](CO)N[C@@H]1CCNC1=O ZINC001507237494 894019034 /nfs/dbraw/zinc/01/90/34/894019034.db2.gz FZEDHWDGJZMWDD-VHSXEESVSA-N 0 3 296.331 -2.308 20 0 CAADHN O=C(CCc1cn[nH]n1)NC[C@H](CO)N[C@@H]1CCNC1=O ZINC001507237491 894019233 /nfs/dbraw/zinc/01/92/33/894019233.db2.gz FZEDHWDGJZMWDD-NXEZZACHSA-N 0 3 296.331 -2.308 20 0 CAADHN O=C(CCc1c[nH]nn1)NC[C@H](CO)N[C@@H]1CCNC1=O ZINC001507237491 894019251 /nfs/dbraw/zinc/01/92/51/894019251.db2.gz FZEDHWDGJZMWDD-NXEZZACHSA-N 0 3 296.331 -2.308 20 0 CAADHN Cc1nc(CN[C@@H](CO)CNC(=O)c2n[nH]cc2F)n[nH]1 ZINC001507235683 894019343 /nfs/dbraw/zinc/01/93/43/894019343.db2.gz XWYYKGYXRIPZOC-SSDOTTSWSA-N 0 3 297.294 -1.144 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](CO)NCCO)CCCS1(=O)=O ZINC001507246653 894024814 /nfs/dbraw/zinc/02/48/14/894024814.db2.gz PEZDWTIKVWBUEE-GXSJLCMTSA-N 0 3 294.373 -1.987 20 0 CAADHN COC[C@H](C)N[C@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001507249042 894024854 /nfs/dbraw/zinc/02/48/54/894024854.db2.gz MTZVFUBADLEPRB-ONGXEEELSA-N 0 3 287.360 -1.386 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](CO)NCCO)CCCS1(=O)=O ZINC001507246654 894024958 /nfs/dbraw/zinc/02/49/58/894024958.db2.gz PEZDWTIKVWBUEE-KOLCDFICSA-N 0 3 294.373 -1.987 20 0 CAADHN O=C(Cc1nc[nH]n1)NC[C@H](CO)N[C@@H]1CCCNC1=O ZINC001507254338 894026361 /nfs/dbraw/zinc/02/63/61/894026361.db2.gz HYMBNMXKJMDWJA-RKDXNWHRSA-N 0 3 296.331 -2.308 20 0 CAADHN COCCN[C@H](CO)CNC(=O)Cc1cncn1C ZINC001507252341 894028522 /nfs/dbraw/zinc/02/85/22/894028522.db2.gz JFFRUOGBXLNKBP-JTQLQIEISA-N 0 3 270.333 -1.324 20 0 CAADHN O=C(Cc1nc[nH]n1)NC[C@@H](CO)N[C@@H]1CCCNC1=O ZINC001507254334 894030070 /nfs/dbraw/zinc/03/00/70/894030070.db2.gz HYMBNMXKJMDWJA-DTWKUNHWSA-N 0 3 296.331 -2.308 20 0 CAADHN C[C@@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)CC(N)=O ZINC001507273392 894031768 /nfs/dbraw/zinc/03/17/68/894031768.db2.gz LSZJYFAWFFHXPI-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H](CO)N[C@H]1CCNC1=O ZINC001507261681 894033427 /nfs/dbraw/zinc/03/34/27/894033427.db2.gz UADWGEUCRAJCAN-QWRGUYRKSA-N 0 3 295.343 -1.853 20 0 CAADHN C[C@@H]1[C@H](NCCS(C)(=O)=O)CCN1C(=O)CC(N)=O ZINC001507273395 894033833 /nfs/dbraw/zinc/03/38/33/894033833.db2.gz LSZJYFAWFFHXPI-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN O=C(CN1CCCC1)NC[C@H](CO)N[C@H]1CCNC1=O ZINC001507262754 894034264 /nfs/dbraw/zinc/03/42/64/894034264.db2.gz ZSFQOBFUDMIBRN-MNOVXSKESA-N 0 3 284.360 -1.963 20 0 CAADHN C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](CO)NCCO ZINC001507265709 894035545 /nfs/dbraw/zinc/03/55/45/894035545.db2.gz SWIGTXFQSAEZLK-IUCAKERBSA-N 0 3 282.362 -2.274 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001507270609 894036182 /nfs/dbraw/zinc/03/61/82/894036182.db2.gz NAPFTERVWHVRJQ-APPZFPTMSA-N 0 3 256.306 -1.813 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001507274721 894036627 /nfs/dbraw/zinc/03/66/27/894036627.db2.gz ZBZVCJOCFRPQTN-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C[C@@H]1C ZINC001507302313 894037121 /nfs/dbraw/zinc/03/71/21/894037121.db2.gz WEFMQUJRRQQJAG-IONNQARKSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2ncn(C)n2)C1 ZINC001507312355 894037206 /nfs/dbraw/zinc/03/72/06/894037206.db2.gz DLTAXQAGEGMMOX-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001507288145 894037462 /nfs/dbraw/zinc/03/74/62/894037462.db2.gz CVMZANXPBZHKCR-BDAKNGLRSA-N 0 3 270.333 -1.425 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C[C@H]1C ZINC001507302314 894037489 /nfs/dbraw/zinc/03/74/89/894037489.db2.gz WEFMQUJRRQQJAG-VXNVDRBHSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](NCC(=O)N(C)C)C[C@@H]1C ZINC001507314631 894037700 /nfs/dbraw/zinc/03/77/00/894037700.db2.gz QGBZJTDBHAEGEI-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCn2cnnn2)[C@H]1C ZINC001507291250 894037990 /nfs/dbraw/zinc/03/79/90/894037990.db2.gz ZEAKKFWUCZXSMQ-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H]1C[C@@H](NCCS(C)(=O)=O)CN1C(=O)CC(N)=O ZINC001507303798 894038217 /nfs/dbraw/zinc/03/82/17/894038217.db2.gz CGXJOIFZLFDAGS-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2ncn(C)n2)C1 ZINC001507312358 894039544 /nfs/dbraw/zinc/03/95/44/894039544.db2.gz DLTAXQAGEGMMOX-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC001507276981 894040444 /nfs/dbraw/zinc/04/04/44/894040444.db2.gz GQUZNPZTOHVGGQ-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001507289874 894040630 /nfs/dbraw/zinc/04/06/30/894040630.db2.gz LEISXKPSBMPSCR-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2ncn(C)n2)C1 ZINC001507312356 894041401 /nfs/dbraw/zinc/04/14/01/894041401.db2.gz DLTAXQAGEGMMOX-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001507284121 894041578 /nfs/dbraw/zinc/04/15/78/894041578.db2.gz PDDJPWFELTXTCY-SFYZADRCSA-N 0 3 271.321 -2.020 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507461865 894042619 /nfs/dbraw/zinc/04/26/19/894042619.db2.gz RVKWPBJBTCZICG-APPZFPTMSA-N 0 3 274.321 -2.595 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CN[C@H](C)C(=O)NC ZINC001507462487 894043009 /nfs/dbraw/zinc/04/30/09/894043009.db2.gz WNLLKGYBKMLLDC-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CCNC(N)=O)CC1(C)C ZINC001507452601 894043955 /nfs/dbraw/zinc/04/39/55/894043955.db2.gz QGQJPEUJWAPWRG-SECBINFHSA-N 0 3 299.375 -1.383 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)Cn1cnnn1 ZINC001507463195 894043984 /nfs/dbraw/zinc/04/39/84/894043984.db2.gz ALFGIPMMRDOFBD-MRVPVSSYSA-N 0 3 260.273 -1.949 20 0 CAADHN C[C@H](N[C@H]1CN(C(=O)C(N)=O)CC1(C)C)C(=O)N(C)C ZINC001507443317 894044078 /nfs/dbraw/zinc/04/40/78/894044078.db2.gz OHAGZCPKZPOURE-IUCAKERBSA-N 0 3 284.360 -1.225 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2nnn(C)n2)CC1(C)C ZINC001507444261 894044722 /nfs/dbraw/zinc/04/47/22/894044722.db2.gz PCFZMXPTKRDMNG-QMMMGPOBSA-N 0 3 295.347 -1.604 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C)C(=O)N(C)C ZINC001507443318 894044837 /nfs/dbraw/zinc/04/48/37/894044837.db2.gz OHAGZCPKZPOURE-RKDXNWHRSA-N 0 3 284.360 -1.225 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(=O)NC ZINC001507462488 894045403 /nfs/dbraw/zinc/04/54/03/894045403.db2.gz WNLLKGYBKMLLDC-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C1CC1 ZINC001507457711 894045750 /nfs/dbraw/zinc/04/57/50/894045750.db2.gz NMVUYEAIDAUASZ-NXEZZACHSA-N 0 3 255.318 -1.306 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001507459855 894046123 /nfs/dbraw/zinc/04/61/23/894046123.db2.gz HDFQGALBXIEVDA-APPZFPTMSA-N 0 3 274.321 -2.595 20 0 CAADHN CCCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001507462642 894046758 /nfs/dbraw/zinc/04/67/58/894046758.db2.gz QUMFJDDNQWKDRK-DTWKUNHWSA-N 0 3 288.348 -1.221 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cocn1 ZINC001507469736 894047723 /nfs/dbraw/zinc/04/77/23/894047723.db2.gz BPLKIRASTREUKT-BDAKNGLRSA-N 0 3 284.316 -1.168 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C[C@@H]1CCOC1 ZINC001507469343 894048042 /nfs/dbraw/zinc/04/80/42/894048042.db2.gz LGTSNYWGSGTWBZ-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCCNC1=O)C(=O)c1ccon1 ZINC001507465420 894048296 /nfs/dbraw/zinc/04/82/96/894048296.db2.gz JPZLYDDFFPYAJV-ZJUUUORDSA-N 0 3 296.327 -1.024 20 0 CAADHN Cc1ccncc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001507472396 894048844 /nfs/dbraw/zinc/04/88/44/894048844.db2.gz ZFVLUSSHAWMULE-SNVBAGLBSA-N 0 3 280.328 -1.102 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cocn1)C(N)=O ZINC001507469877 894048923 /nfs/dbraw/zinc/04/89/23/894048923.db2.gz CRKLJRSNMPRBIN-YUMQZZPRSA-N 0 3 270.289 -1.429 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cocn1 ZINC001507469740 894049036 /nfs/dbraw/zinc/04/90/36/894049036.db2.gz BPLKIRASTREUKT-RKDXNWHRSA-N 0 3 284.316 -1.168 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001507467749 894049674 /nfs/dbraw/zinc/04/96/74/894049674.db2.gz YKCONUVGZCUWTN-JTQLQIEISA-N 0 3 283.332 -1.432 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001507466000 894049972 /nfs/dbraw/zinc/04/99/72/894049972.db2.gz CRANRFZNFAGIPG-BDAKNGLRSA-N 0 3 261.322 -1.824 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)CC(N)=O)C(N)=O ZINC001507468842 894050462 /nfs/dbraw/zinc/05/04/62/894050462.db2.gz CZPPEBZSORCLEX-JGVFFNPUSA-N 0 3 274.321 -2.465 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)CC(N)=O)C(N)=O ZINC001507468844 894050494 /nfs/dbraw/zinc/05/04/94/894050494.db2.gz CZPPEBZSORCLEX-YUMQZZPRSA-N 0 3 274.321 -2.465 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C[C@@H]1CCOC1 ZINC001507469345 894051201 /nfs/dbraw/zinc/05/12/01/894051201.db2.gz LGTSNYWGSGTWBZ-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN Cc1c(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)cnn1C ZINC001507466883 894051419 /nfs/dbraw/zinc/05/14/19/894051419.db2.gz RQOVKQJLDXRQHO-WPRPVWTQSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCCNC1=O)C(=O)c1ccon1 ZINC001507465419 894051974 /nfs/dbraw/zinc/05/19/74/894051974.db2.gz JPZLYDDFFPYAJV-VHSXEESVSA-N 0 3 296.327 -1.024 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001507474217 894052663 /nfs/dbraw/zinc/05/26/63/894052663.db2.gz QAWPQEHBXVWOAQ-ZJUUUORDSA-N 0 3 298.347 -2.006 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CC1(C)C ZINC001507473853 894052712 /nfs/dbraw/zinc/05/27/12/894052712.db2.gz NKILTBHROWZKIF-BDAKNGLRSA-N 0 3 257.334 -1.073 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CCc1c[nH]cn1 ZINC001507483533 894053071 /nfs/dbraw/zinc/05/30/71/894053071.db2.gz MENVJEXCZVXSQK-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ccn(C)c1)C(N)=O ZINC001507476420 894053432 /nfs/dbraw/zinc/05/34/32/894053432.db2.gz YUSFNEZHAYUGKH-GXSJLCMTSA-N 0 3 282.344 -1.079 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cncnc1)C(N)=O ZINC001507475537 894053560 /nfs/dbraw/zinc/05/35/60/894053560.db2.gz OYXDWRQSLPZCRE-GHMZBOCLSA-N 0 3 295.343 -1.237 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cnn(C)c1N)C(N)=O ZINC001507474410 894053639 /nfs/dbraw/zinc/05/36/39/894053639.db2.gz GDPMAGRWEGRVPL-YUMQZZPRSA-N 0 3 298.347 -2.101 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1ccn(C)c1)C(N)=O ZINC001507476428 894054202 /nfs/dbraw/zinc/05/42/02/894054202.db2.gz YUSFNEZHAYUGKH-KOLCDFICSA-N 0 3 282.344 -1.079 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001507476282 894054312 /nfs/dbraw/zinc/05/43/12/894054312.db2.gz XMZZRZJEYXOKRF-SCZZXKLOSA-N 0 3 296.327 -1.317 20 0 CAADHN CCn1nccc1C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001507475526 894054553 /nfs/dbraw/zinc/05/45/53/894054553.db2.gz ORGAPQZRGKGTOW-SNVBAGLBSA-N 0 3 297.359 -1.329 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1ccn(C)c1)C(N)=O ZINC001507476435 894054595 /nfs/dbraw/zinc/05/45/95/894054595.db2.gz YUSFNEZHAYUGKH-ONGXEEELSA-N 0 3 282.344 -1.079 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1N)C(N)=O ZINC001507474408 894054819 /nfs/dbraw/zinc/05/48/19/894054819.db2.gz GDPMAGRWEGRVPL-JGVFFNPUSA-N 0 3 298.347 -2.101 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccn(C)c1 ZINC001507476202 894054937 /nfs/dbraw/zinc/05/49/37/894054937.db2.gz WUFVWKODJXXCLW-VXGBXAGGSA-N 0 3 294.355 -1.064 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cncnc1)C(N)=O ZINC001507475539 894055060 /nfs/dbraw/zinc/05/50/60/894055060.db2.gz OYXDWRQSLPZCRE-QWRGUYRKSA-N 0 3 295.343 -1.237 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C1CC(F)(F)C1 ZINC001507475992 894055258 /nfs/dbraw/zinc/05/52/58/894055258.db2.gz VHMDCETZFRFHEQ-QMMMGPOBSA-N 0 3 279.287 -1.074 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@H]1COC(=O)N1 ZINC001507477015 894056062 /nfs/dbraw/zinc/05/60/62/894056062.db2.gz IZOCMVNRQJTJFV-HTQZYQBOSA-N 0 3 263.269 -1.527 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCn1ccnc1 ZINC001507495850 894056858 /nfs/dbraw/zinc/05/68/58/894056858.db2.gz RZWJMNOHLJIICY-SNVBAGLBSA-N 0 3 283.332 -1.833 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001507494994 894057023 /nfs/dbraw/zinc/05/70/23/894057023.db2.gz GLXKEEQVHQWYJU-DTWKUNHWSA-N 0 3 276.312 -1.612 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)c1nnn(C)n1 ZINC001507497660 894057595 /nfs/dbraw/zinc/05/75/95/894057595.db2.gz PCWFUCDOVGAGOS-ZETCQYMHSA-N 0 3 260.273 -1.798 20 0 CAADHN COc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)ccn1 ZINC001507490370 894057756 /nfs/dbraw/zinc/05/77/56/894057756.db2.gz SPOTWPCTAGVMMH-SNVBAGLBSA-N 0 3 296.327 -1.402 20 0 CAADHN Cc1cc(C)n(CC(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001507491005 894058683 /nfs/dbraw/zinc/05/86/83/894058683.db2.gz FQTIDBJTIAXBBG-LLVKDONJSA-N 0 3 297.359 -1.606 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCn1ccnc1 ZINC001507495849 894059009 /nfs/dbraw/zinc/05/90/09/894059009.db2.gz RZWJMNOHLJIICY-JTQLQIEISA-N 0 3 283.332 -1.833 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001507490038 894059109 /nfs/dbraw/zinc/05/91/09/894059109.db2.gz MIEOBTUHZUNPQP-VIFPVBQESA-N 0 3 298.347 -1.648 20 0 CAADHN COCC1(C(=O)N(C)C[C@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001507492741 894059536 /nfs/dbraw/zinc/05/95/36/894059536.db2.gz DEPWNJLGGPORBL-MNOVXSKESA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001507498281 894059929 /nfs/dbraw/zinc/05/99/29/894059929.db2.gz CGPNYVWQTIUODY-SVDPJWKOSA-N 0 3 285.344 -1.966 20 0 CAADHN CC[C@@H]1CCO[C@@H]1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001507486133 894060024 /nfs/dbraw/zinc/06/00/24/894060024.db2.gz NHUKHPFPRIEOTE-FOGDFJRCSA-N 0 3 287.360 -1.304 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cccnn1)C(N)=O ZINC001507516559 894061140 /nfs/dbraw/zinc/06/11/40/894061140.db2.gz MWYWZJRMCACMTO-IUCAKERBSA-N 0 3 281.316 -1.627 20 0 CAADHN COc1ccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)nn1 ZINC001507510488 894061168 /nfs/dbraw/zinc/06/11/68/894061168.db2.gz BORAHFYQCJSSAF-QMMMGPOBSA-N 0 3 297.315 -2.007 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cccnn1 ZINC001507514561 894061399 /nfs/dbraw/zinc/06/13/99/894061399.db2.gz HCWOMLOPHNLPEJ-MRVPVSSYSA-N 0 3 267.289 -2.016 20 0 CAADHN CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1)C(N)=O ZINC001507510177 894061525 /nfs/dbraw/zinc/06/15/25/894061525.db2.gz KMKXRNRHIMXYQG-JGVFFNPUSA-N 0 3 284.320 -1.909 20 0 CAADHN CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1)C(N)=O ZINC001507510176 894061626 /nfs/dbraw/zinc/06/16/26/894061626.db2.gz KMKXRNRHIMXYQG-HTQZYQBOSA-N 0 3 284.320 -1.909 20 0 CAADHN CN(C[C@H](O)CNCc1ccnn1C)C(=O)C(N)=O ZINC001507502801 894061841 /nfs/dbraw/zinc/06/18/41/894061841.db2.gz OKLLSHSJTDIXFI-SECBINFHSA-N 0 3 269.305 -2.186 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001507511365 894061913 /nfs/dbraw/zinc/06/19/13/894061913.db2.gz QSYWYXIUUIRHQC-JGVFFNPUSA-N 0 3 285.304 -1.773 20 0 CAADHN CN(C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)c1nc[n-]n1 ZINC001507509796 894061951 /nfs/dbraw/zinc/06/19/51/894061951.db2.gz CJXSWTBAELINCI-DTWKUNHWSA-N 0 3 296.331 -1.894 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001507511367 894062150 /nfs/dbraw/zinc/06/21/50/894062150.db2.gz QSYWYXIUUIRHQC-SFYZADRCSA-N 0 3 285.304 -1.773 20 0 CAADHN CN(C[C@@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)c1nc[n-]n1 ZINC001507509797 894062846 /nfs/dbraw/zinc/06/28/46/894062846.db2.gz CJXSWTBAELINCI-IUCAKERBSA-N 0 3 296.331 -1.894 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001507510703 894062988 /nfs/dbraw/zinc/06/29/88/894062988.db2.gz NRQXFRBQXNNMLY-QMMMGPOBSA-N 0 3 285.304 -1.820 20 0 CAADHN Cc1cnoc1C(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001507511145 894063430 /nfs/dbraw/zinc/06/34/30/894063430.db2.gz JHCDWWIBVZMRRT-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cccnn1)C(N)=O ZINC001507516555 894063465 /nfs/dbraw/zinc/06/34/65/894063465.db2.gz MWYWZJRMCACMTO-BDAKNGLRSA-N 0 3 281.316 -1.627 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@]1(C)CCNC1=O ZINC001507504077 894063918 /nfs/dbraw/zinc/06/39/18/894063918.db2.gz NUTUEILXFIAPTD-JOYOIKCWSA-N 0 3 275.324 -1.109 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001507512295 894064097 /nfs/dbraw/zinc/06/40/97/894064097.db2.gz VKKNONICCYSJPU-HTQZYQBOSA-N 0 3 284.320 -2.038 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cnn(C)n1 ZINC001507513121 894064253 /nfs/dbraw/zinc/06/42/53/894064253.db2.gz ZQSMUSSHNVIDMI-SSDOTTSWSA-N 0 3 270.293 -2.677 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@]1(C)CCNC1=O ZINC001507504075 894064401 /nfs/dbraw/zinc/06/44/01/894064401.db2.gz NUTUEILXFIAPTD-BXKDBHETSA-N 0 3 275.324 -1.109 20 0 CAADHN Cc1nonc1CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507513361 894064487 /nfs/dbraw/zinc/06/44/87/894064487.db2.gz WNGFGUHBBTZVAZ-QMMMGPOBSA-N 0 3 285.304 -2.185 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001507511369 894064522 /nfs/dbraw/zinc/06/45/22/894064522.db2.gz QSYWYXIUUIRHQC-YUMQZZPRSA-N 0 3 285.304 -1.773 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cc(Cl)no1 ZINC001507548135 894066624 /nfs/dbraw/zinc/06/66/24/894066624.db2.gz QHYHYTKFNGJGFU-LURJTMIESA-N 0 3 290.707 -1.164 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccn(C)n1 ZINC001507563007 894066652 /nfs/dbraw/zinc/06/66/52/894066652.db2.gz PFXPBONCESRNOQ-QMMMGPOBSA-N 0 3 269.305 -2.072 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccn(C)n1 ZINC001507563006 894067930 /nfs/dbraw/zinc/06/79/30/894067930.db2.gz PFXPBONCESRNOQ-MRVPVSSYSA-N 0 3 269.305 -2.072 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001507586558 894068227 /nfs/dbraw/zinc/06/82/27/894068227.db2.gz CJDXTRYYMZNXSD-NWDGAFQWSA-N 0 3 290.360 -1.201 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001507586559 894068928 /nfs/dbraw/zinc/06/89/28/894068928.db2.gz CJDXTRYYMZNXSD-RYUDHWBXSA-N 0 3 290.360 -1.201 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001507552328 894068783 /nfs/dbraw/zinc/06/87/83/894068783.db2.gz GMUIWJLZEHHJGS-SNVBAGLBSA-N 0 3 298.347 -2.225 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1[nH]cnc1C ZINC001507577688 894069669 /nfs/dbraw/zinc/06/96/69/894069669.db2.gz RQFKKVLKHIEIBS-ZJUUUORDSA-N 0 3 297.359 -1.125 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001507604438 894071208 /nfs/dbraw/zinc/07/12/08/894071208.db2.gz PVIMTYPFBUFOOH-LLVKDONJSA-N 0 3 270.333 -1.304 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001507683950 894071783 /nfs/dbraw/zinc/07/17/83/894071783.db2.gz JZQNKXGHEBGDKP-SECBINFHSA-N 0 3 286.332 -1.517 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001507684014 894072833 /nfs/dbraw/zinc/07/28/33/894072833.db2.gz KSEGCALZYBRURD-GHMZBOCLSA-N 0 3 287.360 -1.792 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001507683951 894073595 /nfs/dbraw/zinc/07/35/95/894073595.db2.gz JZQNKXGHEBGDKP-VIFPVBQESA-N 0 3 286.332 -1.517 20 0 CAADHN CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)CCc1nnc[n-]1 ZINC001507611150 894074564 /nfs/dbraw/zinc/07/45/64/894074564.db2.gz FRAQQQZRLVVSOJ-JTQLQIEISA-N 0 3 285.348 -1.519 20 0 CAADHN CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)CCc1nnc[n-]1 ZINC001507611150 894074584 /nfs/dbraw/zinc/07/45/84/894074584.db2.gz FRAQQQZRLVVSOJ-JTQLQIEISA-N 0 3 285.348 -1.519 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001507657565 894076489 /nfs/dbraw/zinc/07/64/89/894076489.db2.gz PVEPNPXCKNEXNC-WDEREUQCSA-N 0 3 287.360 -1.744 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)Cc1ccon1 ZINC001507602800 894076556 /nfs/dbraw/zinc/07/65/56/894076556.db2.gz ILHFTKFWRORIIH-NSHDSACASA-N 0 3 271.317 -1.040 20 0 CAADHN CC(C)N(CCN(C)CCO)C(=O)[C@@H]1CNC(=O)N1 ZINC001507831252 894077889 /nfs/dbraw/zinc/07/78/89/894077889.db2.gz HMJHZWWKNCCKNP-JTQLQIEISA-N 0 3 272.349 -1.171 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](NC(=O)C(N)=O)C(C)(C)C ZINC001508015686 894078347 /nfs/dbraw/zinc/07/83/47/894078347.db2.gz CTBXJQCQEAEMQJ-HTQZYQBOSA-N 0 3 272.349 -1.273 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)CC(N)=O ZINC001507907613 894079548 /nfs/dbraw/zinc/07/95/48/894079548.db2.gz RKOKRWVQLCLXDI-SSDOTTSWSA-N 0 3 258.322 -1.532 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001508022064 894079637 /nfs/dbraw/zinc/07/96/37/894079637.db2.gz IIVWLGIIYFXYGC-HRDYMLBCSA-N 0 3 284.360 -1.286 20 0 CAADHN COCCN(CCNC(=O)c1c[nH]c(=O)cn1)C[C@@H](C)O ZINC001508049708 894079695 /nfs/dbraw/zinc/07/96/95/894079695.db2.gz JSYBAXYNHCMFRX-SNVBAGLBSA-N 0 3 298.343 -1.171 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)Cn1cnnn1)C(C)(C)C ZINC001507888483 894080427 /nfs/dbraw/zinc/08/04/27/894080427.db2.gz JPCZAHRVOKIGDB-VIFPVBQESA-N 0 3 297.363 -1.460 20 0 CAADHN CN(C[C@H](O)C[N@H+](C)CCO)C(=O)c1nc[n-]n1 ZINC001507707381 894081238 /nfs/dbraw/zinc/08/12/38/894081238.db2.gz NZHUADQCZYZSOU-MRVPVSSYSA-N 0 3 257.294 -1.838 20 0 CAADHN CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)c1nc[n-]n1 ZINC001507707381 894081255 /nfs/dbraw/zinc/08/12/55/894081255.db2.gz NZHUADQCZYZSOU-MRVPVSSYSA-N 0 3 257.294 -1.838 20 0 CAADHN CN(CCOCCN[C@H]1CCNC1=O)C(=O)c1cnon1 ZINC001508185384 894084042 /nfs/dbraw/zinc/08/40/42/894084042.db2.gz UJVUIIKBWFCUHQ-VIFPVBQESA-N 0 3 297.315 -1.364 20 0 CAADHN CN(CCOCCN[C@@H]1CCNC1=O)C(=O)c1cnon1 ZINC001508185383 894085332 /nfs/dbraw/zinc/08/53/32/894085332.db2.gz UJVUIIKBWFCUHQ-SECBINFHSA-N 0 3 297.315 -1.364 20 0 CAADHN CCNC(=O)NC(=O)CNCCOCCN(C)C(C)=O ZINC001508161239 894087367 /nfs/dbraw/zinc/08/73/67/894087367.db2.gz CUFWRXKMCOFIFJ-UHFFFAOYSA-N 0 3 288.348 -1.083 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001511192465 894152315 /nfs/dbraw/zinc/15/23/15/894152315.db2.gz OYVTZKCAEJFQTR-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](C(=O)N(C)C1CC(NC(=O)C(N)=O)C1)N(C)C ZINC001511989297 894169599 /nfs/dbraw/zinc/16/95/99/894169599.db2.gz QCKFTNDKLIZNCK-RTBKNWGFSA-N 0 3 284.360 -1.083 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001514140620 894180508 /nfs/dbraw/zinc/18/05/08/894180508.db2.gz CGCXTJVKHKDVGV-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN CCN(CC)CC(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC001514147460 894181104 /nfs/dbraw/zinc/18/11/04/894181104.db2.gz ZQKGFJYFEHSQHD-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H]1C(=O)NCCCN1C(=O)[C@H]1CNCCN1C ZINC001514598300 894182712 /nfs/dbraw/zinc/18/27/12/894182712.db2.gz XQAZLPKBNWZFCJ-VHSXEESVSA-N 0 3 254.334 -1.373 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CN2CCC1CC2 ZINC001514565361 894183513 /nfs/dbraw/zinc/18/35/13/894183513.db2.gz KLFPEHRHCYVVLQ-IUCAKERBSA-N 0 3 266.301 -1.205 20 0 CAADHN C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](CNC(=O)C(N)=O)C1 ZINC001514929642 894186597 /nfs/dbraw/zinc/18/65/97/894186597.db2.gz QNULONGUZUIQEG-GARJFASQSA-N 0 3 296.371 -1.033 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N[C@@H](CO)CN1CCCC1 ZINC001520007219 894191565 /nfs/dbraw/zinc/19/15/65/894191565.db2.gz OTUUWITZLZFBRY-SNVBAGLBSA-N 0 3 283.328 -1.292 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001520902314 894196955 /nfs/dbraw/zinc/19/69/55/894196955.db2.gz ABMBUNYJPALHRV-NXEZZACHSA-N 0 3 266.305 -1.348 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)NCC1=O ZINC001522061552 894212301 /nfs/dbraw/zinc/21/23/01/894212301.db2.gz WLVBTKJTKFMTGK-IWSPIJDZSA-N 0 3 258.297 -1.686 20 0 CAADHN CCOC(=O)NCC(=O)N[C@H]1COC2(CNC2)C1 ZINC001521971111 894212813 /nfs/dbraw/zinc/21/28/13/894212813.db2.gz CXCROSIFZDEVRG-MRVPVSSYSA-N 0 3 257.290 -1.020 20 0 CAADHN C[C@@]1(C(=O)N[C@H]2COC3(CNC3)C2)CCNC1=O ZINC001521820759 894212892 /nfs/dbraw/zinc/21/28/92/894212892.db2.gz PNMYKUKEVDJIEL-LDYMZIIASA-N 0 3 253.302 -1.240 20 0 CAADHN O=C(NCC1CC1)C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001521971919 894213185 /nfs/dbraw/zinc/21/31/85/894213185.db2.gz FLCADHGOLAZPDP-VIFPVBQESA-N 0 3 253.302 -1.240 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)c1cc2n(n1)CCO2 ZINC001521697573 894213534 /nfs/dbraw/zinc/21/35/34/894213534.db2.gz KRINOFGTXAGYNV-QMMMGPOBSA-N 0 3 252.274 -1.006 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H]2COC3(CNC3)C2)CC1 ZINC001521974036 894213842 /nfs/dbraw/zinc/21/38/42/894213842.db2.gz MTQVDYDXMXFLIY-MRVPVSSYSA-N 0 3 253.302 -1.240 20 0 CAADHN CN(C)c1noc(CNC(=O)[C@H]2CNCCN2C)n1 ZINC001521680457 894214038 /nfs/dbraw/zinc/21/40/38/894214038.db2.gz KVMUTJICYPCVLZ-MRVPVSSYSA-N 0 3 268.321 -1.345 20 0 CAADHN CN1CCNC[C@H]1C(=O)N[C@H]1C(=O)NCC1(C)C ZINC001522481432 894221554 /nfs/dbraw/zinc/22/15/54/894221554.db2.gz HOXVYFGSVBUBSN-IUCAKERBSA-N 0 3 254.334 -1.469 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNC(=O)Cn2cnnn2)C1 ZINC001522509515 894227872 /nfs/dbraw/zinc/22/78/72/894227872.db2.gz JJKKKDGIYIJGJE-SNVBAGLBSA-N 0 3 295.347 -1.753 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)C1(C(N)=O)CC1 ZINC001522657212 894242789 /nfs/dbraw/zinc/24/27/89/894242789.db2.gz LZAQFAXNFCVYHH-UHFFFAOYSA-N 0 3 284.360 -1.174 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NCCNC(=O)CCNC(N)=O ZINC001522628751 894244205 /nfs/dbraw/zinc/24/42/05/894244205.db2.gz VQFUROHTVBMKAX-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN C[C@H]1CCCN1CC(=O)NCCNC(=O)CCNC(N)=O ZINC001522628749 894244506 /nfs/dbraw/zinc/24/45/06/894244506.db2.gz VQFUROHTVBMKAX-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN CN1CC(C(=O)NCCNC(=O)Cc2c[nH]cn2)=NC1=O ZINC001522801627 894252096 /nfs/dbraw/zinc/25/20/96/894252096.db2.gz HKYKMJKBRHJTAG-UHFFFAOYSA-N 0 3 292.299 -1.063 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNC(=O)[C@@H]2CCNC2=O)C1 ZINC001522784564 894252243 /nfs/dbraw/zinc/25/22/43/894252243.db2.gz GLWHLBFWCIYMHL-WDEREUQCSA-N 0 3 296.371 -1.303 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@H]1CCNC1=O)N(C)C ZINC001522786613 894252609 /nfs/dbraw/zinc/25/26/09/894252609.db2.gz UBNQAGCPSJUQBD-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN(CC)CC(=O)NCCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001522918012 894257170 /nfs/dbraw/zinc/25/71/70/894257170.db2.gz NSYCOEUSMZNGFI-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001523014404 894262519 /nfs/dbraw/zinc/26/25/19/894262519.db2.gz HYEIADPTSRUVKQ-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN CC(C)N(C)CC(=O)NC1CCN(C(=O)C(N)=O)CC1 ZINC001523248141 894264688 /nfs/dbraw/zinc/26/46/88/894264688.db2.gz AGJRHRDBOWJJCM-UHFFFAOYSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC001525085408 894290882 /nfs/dbraw/zinc/29/08/82/894290882.db2.gz QZCPDUKHZVZATC-GUBZILKMSA-N 0 3 284.360 -1.179 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC001526197726 894295916 /nfs/dbraw/zinc/29/59/16/894295916.db2.gz YHEOGOOUNPOVHT-MSRIBSCDSA-N 0 3 296.371 -1.225 20 0 CAADHN C[C@@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)CC(N)=O ZINC001527005199 894305152 /nfs/dbraw/zinc/30/51/52/894305152.db2.gz SLIQGWRRGZRGKA-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)CC(N)=O ZINC001527005200 894307008 /nfs/dbraw/zinc/30/70/08/894307008.db2.gz SLIQGWRRGZRGKA-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)CC(N)=O ZINC001527005198 894307988 /nfs/dbraw/zinc/30/79/88/894307988.db2.gz SLIQGWRRGZRGKA-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCCN(C)CC(=O)N[C@H](C)CCNC(=O)C(N)=O ZINC001527746138 894311940 /nfs/dbraw/zinc/31/19/40/894311940.db2.gz QSMGHWNTJYCZHA-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CC[C@H](C(=O)NCC[C@@H](C)NC(=O)C(N)=O)N(C)C ZINC001527620847 894314884 /nfs/dbraw/zinc/31/48/84/894314884.db2.gz RWGMRHJTYWUQDK-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CC(=O)NCC(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001527874206 894316122 /nfs/dbraw/zinc/31/61/22/894316122.db2.gz ZGHZORWYODKVKW-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CCCN(C)CC(=O)N(C)CCNC(=O)Cn1cnnn1 ZINC001527904886 894317479 /nfs/dbraw/zinc/31/74/79/894317479.db2.gz ODLYQWFQVSWNHU-UHFFFAOYSA-N 0 3 297.363 -1.411 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCc2cnnn2C)C1 ZINC001527969812 894320661 /nfs/dbraw/zinc/32/06/61/894320661.db2.gz SZMBKYVVGNMJJJ-LLVKDONJSA-N 0 3 268.321 -1.319 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001528418698 894328894 /nfs/dbraw/zinc/32/88/94/894328894.db2.gz UAZIFLZGUBQAOC-ZJUUUORDSA-N 0 3 266.305 -1.659 20 0 CAADHN C[C@H]1CCN(CC(=O)N(C)CCNC(=O)C(N)=O)C1 ZINC001528595242 894335685 /nfs/dbraw/zinc/33/56/85/894335685.db2.gz SSAHYATZMLYGLY-VIFPVBQESA-N 0 3 270.333 -1.612 20 0 CAADHN CCN(CCNC(=O)C1(N(C)C)CCC1)C(=O)C(N)=O ZINC001528904086 894338952 /nfs/dbraw/zinc/33/89/52/894338952.db2.gz NPHJLRUKMFSDOJ-UHFFFAOYSA-N 0 3 284.360 -1.079 20 0 CAADHN CC[C@@H](C(=O)NCCN(C(=O)C(N)=O)C1CC1)N(C)C ZINC001529873189 894350801 /nfs/dbraw/zinc/35/08/01/894350801.db2.gz JSNNCHQSXGPKMK-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCN(C(=O)C(N)=O)C1CC1 ZINC001529823355 894351358 /nfs/dbraw/zinc/35/13/58/894351358.db2.gz XUDYVEJKRNGJFZ-UHFFFAOYSA-N 0 3 293.327 -1.147 20 0 CAADHN CNC(=O)NCC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001530485654 894359380 /nfs/dbraw/zinc/35/93/80/894359380.db2.gz MNFSTKKMQMOXDJ-UHFFFAOYSA-N 0 3 297.359 -1.662 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001530493777 894359863 /nfs/dbraw/zinc/35/98/63/894359863.db2.gz IFRPAWCVJLKRCB-NSHDSACASA-N 0 3 296.371 -1.068 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001530449819 894360689 /nfs/dbraw/zinc/36/06/89/894360689.db2.gz FRMBJFHSVWMNSX-VIFPVBQESA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)C2(C(N)=O)CC2)C1)N(C)C ZINC001530554682 894364209 /nfs/dbraw/zinc/36/42/09/894364209.db2.gz DWKHMEWYLFWBRH-SNVBAGLBSA-N 0 3 296.371 -1.081 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)c2nnn(C)n2)C1 ZINC001530589208 894364268 /nfs/dbraw/zinc/36/42/68/894364268.db2.gz NFPSXTQJZMWOKA-UHFFFAOYSA-N 0 3 295.347 -1.508 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCC1CN(C(=O)CC(N)=O)C1 ZINC001530846436 894369600 /nfs/dbraw/zinc/36/96/00/894369600.db2.gz WTVGIKRHJYAZKZ-UHFFFAOYSA-N 0 3 293.327 -1.289 20 0 CAADHN CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)NC(=O)C(N)=O ZINC001531485602 894381661 /nfs/dbraw/zinc/38/16/61/894381661.db2.gz GIDWECZRMDPFKV-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NC(=O)CN(CC)CC ZINC001531443345 894382925 /nfs/dbraw/zinc/38/29/25/894382925.db2.gz IGKBJNPZBVDYNN-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CCN(CC)CC(=O)N1CCC[C@@H]1CNC(=O)C(N)=O ZINC001531982503 894385723 /nfs/dbraw/zinc/38/57/23/894385723.db2.gz RSRFPPZBKSXBJV-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CC[C@H](C(=O)N(C)CCN(C)C(=O)C(N)=O)N(C)C ZINC001533006820 894392265 /nfs/dbraw/zinc/39/22/65/894392265.db2.gz JGHSBMGONIFVBF-SECBINFHSA-N 0 3 272.349 -1.271 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](O)CNC(=O)c1cnon1 ZINC001533309282 894409931 /nfs/dbraw/zinc/40/99/31/894409931.db2.gz SGOITUIGINLXQC-SECBINFHSA-N 0 3 299.331 -1.382 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)C(N)=O ZINC001533896726 894419847 /nfs/dbraw/zinc/41/98/47/894419847.db2.gz JMHZSUGJNVWNGA-ZCFIWIBFSA-N 0 3 267.289 -1.633 20 0 CAADHN CC(C)[C@H](C(=O)N[C@@H](C)CNC(=O)C(N)=O)N(C)C ZINC001534403525 894425356 /nfs/dbraw/zinc/42/53/56/894425356.db2.gz LPFINFRPNGZWBD-DTWKUNHWSA-N 0 3 272.349 -1.321 20 0 CAADHN Cn1cnn(CC(=O)N[C@@]23CCN(C2)CCC3)c1=O ZINC001535855239 894437494 /nfs/dbraw/zinc/43/74/94/894437494.db2.gz FAPDFGGXKZMYIW-LBPRGKRZSA-N 0 3 265.317 -1.064 20 0 CAADHN CN(C(=O)CC(N)=O)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001536322816 894440537 /nfs/dbraw/zinc/44/05/37/894440537.db2.gz UMZMHQAFTLPFQQ-SNVBAGLBSA-N 0 3 282.344 -1.375 20 0 CAADHN CCN(CC)CC(=O)N(C)C1CN(C(=O)C(N)=O)C1 ZINC001536374324 894441038 /nfs/dbraw/zinc/44/10/38/894441038.db2.gz NQNYJWWBPHDBNA-UHFFFAOYSA-N 0 3 270.333 -1.517 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(N(C)C(=O)C(N)=O)C1 ZINC001536501869 894441513 /nfs/dbraw/zinc/44/15/13/894441513.db2.gz HQLDHFCUTREVNW-UHFFFAOYSA-N 0 3 270.333 -1.519 20 0 CAADHN CN1CCN(CCCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001539128631 894454116 /nfs/dbraw/zinc/45/41/16/894454116.db2.gz SVLUNKVJOZGZQW-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN CN1CCN(CCCNC(=O)[C@@]2(O)CCOC2)CC1 ZINC001540507168 894455863 /nfs/dbraw/zinc/45/58/63/894455863.db2.gz BGSCCAQLYDZSDS-CYBMUJFWSA-N 0 3 271.361 -1.109 20 0 CAADHN CN1CCN(CCNC(=O)Cc2nc[nH]n2)CC1 ZINC001540588502 894457319 /nfs/dbraw/zinc/45/73/19/894457319.db2.gz QGKLAGVSHMGJQU-UHFFFAOYSA-N 0 3 252.322 -1.289 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCC(=O)NC(N)=O ZINC001545218753 894477125 /nfs/dbraw/zinc/47/71/25/894477125.db2.gz FGIGNHKJXVNSAM-UHFFFAOYSA-N 0 3 253.262 -1.038 20 0 CAADHN CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CNCCN1C ZINC001548541909 894485480 /nfs/dbraw/zinc/48/54/80/894485480.db2.gz DTZXPXRMUNQKCL-ZJUUUORDSA-N 0 3 277.390 -1.171 20 0 CAADHN CC(=O)N1CCN(CCNC(=O)[C@@H]2CNCCN2C)CC1 ZINC001548548988 894485534 /nfs/dbraw/zinc/48/55/34/894485534.db2.gz SNMCYQUUFQEVGE-ZDUSSCGKSA-N 0 3 297.403 -1.830 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)[C@@H]1CNCCN1C ZINC001548554505 894486979 /nfs/dbraw/zinc/48/69/79/894486979.db2.gz VSYMGQCAHGAPFK-NEPJUHHUSA-N 0 3 270.377 -1.273 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)[C@@H]1CNCCN1C ZINC001548554507 894487147 /nfs/dbraw/zinc/48/71/47/894487147.db2.gz VSYMGQCAHGAPFK-RYUDHWBXSA-N 0 3 270.377 -1.273 20 0 CAADHN CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CNCCN1C ZINC001548561089 894487157 /nfs/dbraw/zinc/48/71/57/894487157.db2.gz QLTIAAJISPSKQE-JTQLQIEISA-N 0 3 271.365 -1.380 20 0 CAADHN Cn1cc(N2CCN(C(=O)[C@H]3CNCCN3C)CC2)cn1 ZINC001548552642 894487400 /nfs/dbraw/zinc/48/74/00/894487400.db2.gz JKSDXSQOERBSHF-CYBMUJFWSA-N 0 3 292.387 -1.028 20 0 CAADHN COCCN1CCN(C(=O)[C@@H]2CNCCN2C)CC1=O ZINC001548561143 894487535 /nfs/dbraw/zinc/48/75/35/894487535.db2.gz RQGZZBNVNYFQNG-NSHDSACASA-N 0 3 284.360 -1.793 20 0 CAADHN CN1C[C@H](C(=O)N2CC3(CNC3)OC(C)(C)C2)NC1=O ZINC001548576143 894488662 /nfs/dbraw/zinc/48/86/62/894488662.db2.gz MFWIUHYFCAYICJ-SECBINFHSA-N 0 3 282.344 -1.011 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC3(CC2)CNCCO3)NC1=O ZINC001548586554 894489792 /nfs/dbraw/zinc/48/97/92/894489792.db2.gz KMGWXZPMFYFDAB-JTQLQIEISA-N 0 3 282.344 -1.009 20 0 CAADHN COCCN1C[C@@H](C(=O)N[C@@H]2COC3(CNC3)C2)CC1=O ZINC001548569769 894489918 /nfs/dbraw/zinc/48/99/18/894489918.db2.gz JBUDESKMNPOQDJ-QWRGUYRKSA-N 0 3 297.355 -1.272 20 0 CAADHN COCc1n[nH]c(CNC(=O)[C@@H]2CN3CCN2C[C@H]3C)n1 ZINC001548727890 894496613 /nfs/dbraw/zinc/49/66/13/894496613.db2.gz OLRZJEYOUNBRLU-ZJUUUORDSA-N 0 3 294.359 -1.044 20 0 CAADHN COCc1n[nH]c(CNC(=O)[C@@H]2CN3CCN2C[C@@H]3C)n1 ZINC001548727887 894499855 /nfs/dbraw/zinc/49/98/55/894499855.db2.gz OLRZJEYOUNBRLU-UWVGGRQHSA-N 0 3 294.359 -1.044 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)NC[C@]1(CO)COCCN1 ZINC001548733496 894503085 /nfs/dbraw/zinc/50/30/85/894503085.db2.gz HTKJFBMTNKJAGM-DYEKYZERSA-N 0 3 298.387 -2.158 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)NC[C@@]1(CO)COCCN1 ZINC001548733497 894503374 /nfs/dbraw/zinc/50/33/74/894503374.db2.gz HTKJFBMTNKJAGM-MBNYWOFBSA-N 0 3 298.387 -2.158 20 0 CAADHN O=C([C@@H]1CNCCO1)N1CC[C@H]2OCCN[C@H]2C1 ZINC001549044828 894506468 /nfs/dbraw/zinc/50/64/68/894506468.db2.gz KWUIFHATNKTRLQ-AXFHLTTASA-N 0 3 255.318 -1.436 20 0 CAADHN O=C([C@@H]1COCCN1)N1CC[C@@H]2OCCN[C@@H]2C1 ZINC001549045160 894508369 /nfs/dbraw/zinc/50/83/69/894508369.db2.gz ZCPGNAPIFDJCMK-VWYCJHECSA-N 0 3 255.318 -1.436 20 0 CAADHN Cn1nccc1[C@@H]1[C@H](NC(=O)CN)CC(=O)N1C ZINC001549047413 894510035 /nfs/dbraw/zinc/51/00/35/894510035.db2.gz JRMLJHFPNRSVTB-HQJQHLMTSA-N 0 3 251.290 -1.233 20 0 CAADHN C[C@H]1CN(C(=O)CN)C[C@H]1C(=O)N1CCOCC1 ZINC001549171734 894510615 /nfs/dbraw/zinc/51/06/15/894510615.db2.gz AKJRXXWPDMEFON-VHSXEESVSA-N 0 3 255.318 -1.102 20 0 CAADHN NCc1cn([C@H]2CCCN(C(=O)[C@@H]3COCCN3)C2)nn1 ZINC001549047561 894511256 /nfs/dbraw/zinc/51/12/56/894511256.db2.gz SSRZCRCEQYHAOD-RYUDHWBXSA-N 0 3 294.359 -1.111 20 0 CAADHN C[C@@H]1CN(C(=O)CN)C[C@@H]1C(=O)N1CCOCC1 ZINC001549171736 894511277 /nfs/dbraw/zinc/51/12/77/894511277.db2.gz AKJRXXWPDMEFON-ZJUUUORDSA-N 0 3 255.318 -1.102 20 0 CAADHN Cn1nccc1[C@H]1[C@H](NC(=O)CN)CC(=O)N1C ZINC001549047415 894511509 /nfs/dbraw/zinc/51/15/09/894511509.db2.gz JRMLJHFPNRSVTB-RDDDGLTNSA-N 0 3 251.290 -1.233 20 0 CAADHN NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3COCCN3)C2)nn1 ZINC001549047559 894512531 /nfs/dbraw/zinc/51/25/31/894512531.db2.gz SSRZCRCEQYHAOD-NEPJUHHUSA-N 0 3 294.359 -1.111 20 0 CAADHN NCc1cn([C@@H]2CCCN(C(=O)C3(O)CNC3)C2)nn1 ZINC001549293808 894516228 /nfs/dbraw/zinc/51/62/28/894516228.db2.gz RKACTDDXBNPECW-SNVBAGLBSA-N 0 3 280.332 -1.765 20 0 CAADHN CNC(=O)CCN1C[C@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549596709 894517660 /nfs/dbraw/zinc/51/76/60/894517660.db2.gz KLJYUDLXELTKOS-QWRGUYRKSA-N 0 3 268.317 -1.020 20 0 CAADHN CN(C)[C@H]1CN(Cc2nnn(C)n2)C[C@H]1n1ccnn1 ZINC001549606816 894518053 /nfs/dbraw/zinc/51/80/53/894518053.db2.gz RLIGAXUUMYFCJV-VHSXEESVSA-N 0 3 277.336 -1.211 20 0 CAADHN CN(C)[C@@H]1CN(Cc2nnn(C)n2)C[C@H]1n1ccnn1 ZINC001549606808 894518638 /nfs/dbraw/zinc/51/86/38/894518638.db2.gz RLIGAXUUMYFCJV-NXEZZACHSA-N 0 3 277.336 -1.211 20 0 CAADHN Cn1cnc([C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2N)c1 ZINC001549731935 894523046 /nfs/dbraw/zinc/52/30/46/894523046.db2.gz BLUVDHSNNCSSDY-VHSXEESVSA-N 0 3 298.368 -1.282 20 0 CAADHN Cn1cc([C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2N)cn1 ZINC001550068294 894524837 /nfs/dbraw/zinc/52/48/37/894524837.db2.gz YXMRNJOAPYZQHG-QWRGUYRKSA-N 0 3 298.368 -1.282 20 0 CAADHN CN(C)S(=O)(=O)N1C[C@H]2CCCN2C[C@H]1CO ZINC001549903337 894525438 /nfs/dbraw/zinc/52/54/38/894525438.db2.gz FMBNRQWTWOYGGX-ZJUUUORDSA-N 0 3 263.363 -1.066 20 0 CAADHN Cn1cc([C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2N)cn1 ZINC001550068269 894526504 /nfs/dbraw/zinc/52/65/04/894526504.db2.gz YXMRNJOAPYZQHG-GHMZBOCLSA-N 0 3 298.368 -1.282 20 0 CAADHN Cn1cc([C@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@@H]2N)cn1 ZINC001550068289 894526738 /nfs/dbraw/zinc/52/67/38/894526738.db2.gz YXMRNJOAPYZQHG-MNOVXSKESA-N 0 3 298.368 -1.282 20 0 CAADHN CCNS(=O)(=O)N1C[C@H]2CCCN2C[C@@H]1CO ZINC001549902930 894526926 /nfs/dbraw/zinc/52/69/26/894526926.db2.gz CCLWGFRDTITXJU-NXEZZACHSA-N 0 3 263.363 -1.018 20 0 CAADHN CC[C@H](N)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001550074965 894527192 /nfs/dbraw/zinc/52/71/92/894527192.db2.gz IWGUKWZLJNRTFQ-NSHDSACASA-N 0 3 284.360 -1.079 20 0 CAADHN CN1C[C@@H](C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC1=O ZINC001550094611 894529043 /nfs/dbraw/zinc/52/90/43/894529043.db2.gz VGVKOOSIYYERAJ-GXSJLCMTSA-N 0 3 292.343 -1.012 20 0 CAADHN COC[C@@H](N)C(=O)N1CC[C@H](N2CCN(C)CC2)C1 ZINC001550116359 894529893 /nfs/dbraw/zinc/52/98/93/894529893.db2.gz MXOOJTSGHSGTNT-NWDGAFQWSA-N 0 3 270.377 -1.192 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC1=O ZINC001550094612 894530033 /nfs/dbraw/zinc/53/00/33/894530033.db2.gz VGVKOOSIYYERAJ-KOLCDFICSA-N 0 3 292.343 -1.012 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCNC(=O)CC12CCOCC2 ZINC001550189824 894533285 /nfs/dbraw/zinc/53/32/85/894533285.db2.gz TWULCVGJAHAVRU-JTQLQIEISA-N 0 3 285.344 -1.142 20 0 CAADHN COC[C@@H](N)C(=O)N1CC[C@@H](N2CCN(C)CC2)C1 ZINC001550116362 894533503 /nfs/dbraw/zinc/53/35/03/894533503.db2.gz MXOOJTSGHSGTNT-VXGBXAGGSA-N 0 3 270.377 -1.192 20 0 CAADHN CO[C@H](CN)C(=O)N1C[C@H](C(=O)N2CCOCC2)[C@H](C)C1 ZINC001550184870 894534549 /nfs/dbraw/zinc/53/45/49/894534549.db2.gz KLZCTEAMIFARRT-GRYCIOLGSA-N 0 3 299.371 -1.087 20 0 CAADHN CNC(=O)NC(=O)CN1C[C@@H]2COCC[C@]2(C(=O)NC)C1 ZINC001551415238 894535764 /nfs/dbraw/zinc/53/57/64/894535764.db2.gz CNMJQQRVBOLBNS-RNCFNFMXSA-N 0 3 298.343 -1.474 20 0 CAADHN C[C@H](O)[C@H](O)CN1C[C@@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001550538865 894538559 /nfs/dbraw/zinc/53/85/59/894538559.db2.gz VYMOUUGGBTVEGJ-WHOHXGKFSA-N 0 3 269.349 -1.193 20 0 CAADHN CN1CC[C@@]2(C(=O)Nc3nnn[n-]3)C[NH2+]C[C@H]2C1 ZINC001553365957 894559037 /nfs/dbraw/zinc/55/90/37/894559037.db2.gz NUGDAYSGSFOPOR-OIBJUYFYSA-N 0 3 251.294 -1.321 20 0 CAADHN CN1CC[C@@]2(C(=O)Nc3nn[n-]n3)C[NH2+]C[C@H]2C1 ZINC001553365957 894559044 /nfs/dbraw/zinc/55/90/44/894559044.db2.gz NUGDAYSGSFOPOR-OIBJUYFYSA-N 0 3 251.294 -1.321 20 0 CAADHN CN1CC[C@@]2(C(=O)Nc3nnn[n-]3)C[NH2+]C[C@@H]2C1 ZINC001553365956 894560613 /nfs/dbraw/zinc/56/06/13/894560613.db2.gz NUGDAYSGSFOPOR-GMSGAONNSA-N 0 3 251.294 -1.321 20 0 CAADHN CN1CC[C@@]2(C(=O)Nc3nn[n-]n3)C[NH2+]C[C@@H]2C1 ZINC001553365956 894560618 /nfs/dbraw/zinc/56/06/18/894560618.db2.gz NUGDAYSGSFOPOR-GMSGAONNSA-N 0 3 251.294 -1.321 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001556504443 894577262 /nfs/dbraw/zinc/57/72/62/894577262.db2.gz YLDHBMROYZGSPH-KXUCPTDWSA-N 0 3 257.334 -1.073 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001556503569 894577395 /nfs/dbraw/zinc/57/73/95/894577395.db2.gz YREWEJNTCSFRDF-MXWKQRLJSA-N 0 3 295.339 -1.293 20 0 CAADHN C[N@H+](CCNC(=O)c1cnncc1[O-])CCOCCO ZINC001558099428 894612959 /nfs/dbraw/zinc/61/29/59/894612959.db2.gz RPVFGPNKEGZHNA-UHFFFAOYSA-N 0 3 284.316 -1.147 20 0 CAADHN C[N@@H+](CCNC(=O)c1cnncc1[O-])CCOCCO ZINC001558099428 894612963 /nfs/dbraw/zinc/61/29/63/894612963.db2.gz RPVFGPNKEGZHNA-UHFFFAOYSA-N 0 3 284.316 -1.147 20 0 CAADHN Cc1nonc1CC(=O)NCCN(C)CCOCCO ZINC001558098592 894613313 /nfs/dbraw/zinc/61/33/13/894613313.db2.gz LGLGHOKQUNENGH-UHFFFAOYSA-N 0 3 286.332 -1.023 20 0 CAADHN CNC(=O)NCC(=O)NCCN(C)CCOCCO ZINC001558099980 894613712 /nfs/dbraw/zinc/61/37/12/894613712.db2.gz ZJIFZNOWZWSBKA-UHFFFAOYSA-N 0 3 276.337 -2.028 20 0 CAADHN CNC(=O)NC(=O)CC[N@@H+]1CCCNC[C@H]1C(=O)[O-] ZINC001598651372 994449091 /nfs/dbraw/zinc/44/90/91/994449091.db2.gz GWQAYFCZFIAGEV-QMMMGPOBSA-N 0 3 272.305 -1.419 20 0 CAADHN CNC(=O)NC(=O)CC[N@H+]1CCCNC[C@H]1C(=O)[O-] ZINC001598651372 994449094 /nfs/dbraw/zinc/44/90/94/994449094.db2.gz GWQAYFCZFIAGEV-QMMMGPOBSA-N 0 3 272.305 -1.419 20 0 CAADHN COCCNCC(=O)N1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001599244744 998120260 /nfs/dbraw/zinc/12/02/60/998120260.db2.gz DRCSMTKTIYIUJD-VIFPVBQESA-N 0 3 259.306 -1.503 20 0 CAADHN COCCOC[C@H](O)C[N@@H+]1CCCNC[C@@H]1C(=O)[O-] ZINC001599249268 998200550 /nfs/dbraw/zinc/20/05/50/998200550.db2.gz FRCYRDOWVNGUHM-GHMZBOCLSA-N 0 3 276.333 -1.241 20 0 CAADHN COCCOC[C@H](O)C[N@H+]1CCCNC[C@@H]1C(=O)[O-] ZINC001599249268 998200556 /nfs/dbraw/zinc/20/05/56/998200556.db2.gz FRCYRDOWVNGUHM-GHMZBOCLSA-N 0 3 276.333 -1.241 20 0 CAADHN COCCOC[C@@H](O)C[N@@H+]1CCCNC[C@H]1C(=O)[O-] ZINC001599249274 998201014 /nfs/dbraw/zinc/20/10/14/998201014.db2.gz FRCYRDOWVNGUHM-QWRGUYRKSA-N 0 3 276.333 -1.241 20 0 CAADHN COCCOC[C@@H](O)C[N@H+]1CCCNC[C@H]1C(=O)[O-] ZINC001599249274 998201024 /nfs/dbraw/zinc/20/10/24/998201024.db2.gz FRCYRDOWVNGUHM-QWRGUYRKSA-N 0 3 276.333 -1.241 20 0 CAADHN C[C@H](NC(=O)C[C@@H]1CNCCO1)C(=O)N1CCOCC1 ZINC000135269398 299064362 /nfs/dbraw/zinc/06/43/62/299064362.db2.gz WJGJCGPWWGFQAT-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CS(=O)(=O)CCS(=O)(=O)N1CCC[C@@H](N)C1 ZINC000063143275 230160580 /nfs/dbraw/zinc/16/05/80/230160580.db2.gz UNHIKCINDZJZPI-MRVPVSSYSA-N 0 3 270.376 -1.216 20 0 CAADHN CN(C)CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000080390705 230161291 /nfs/dbraw/zinc/16/12/91/230161291.db2.gz LURFNWACDHZAIT-UHFFFAOYSA-N 0 3 256.306 -1.100 20 0 CAADHN C[C@H]1CCN[C@H](C(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000126818627 290603561 /nfs/dbraw/zinc/60/35/61/290603561.db2.gz DKYUXIKJVNOQJP-UWVGGRQHSA-N 0 3 290.389 -1.278 20 0 CAADHN CN(C)[C@@H]1CCCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000109810087 230170524 /nfs/dbraw/zinc/17/05/24/230170524.db2.gz KLXMLTXCSRNRFA-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CN(C)[C@H]1CCCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000109810090 230170898 /nfs/dbraw/zinc/17/08/98/230170898.db2.gz KLXMLTXCSRNRFA-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN COCCS(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C ZINC000161440799 230182832 /nfs/dbraw/zinc/18/28/32/230182832.db2.gz PPXCJOIDGZCAJJ-VIFPVBQESA-N 0 3 254.352 -1.135 20 0 CAADHN COCCNCC(=O)NCCC(=O)N1CCOCC1 ZINC000135251058 230177380 /nfs/dbraw/zinc/17/73/80/230177380.db2.gz MBDCSSIMHCXZEG-UHFFFAOYSA-N 0 3 273.333 -1.413 20 0 CAADHN C[C@]1(C(=O)N2CCN(S(N)(=O)=O)CC2)CCCCN1 ZINC000136152997 230180666 /nfs/dbraw/zinc/18/06/66/230180666.db2.gz BNYIUIFVSMMGMZ-LLVKDONJSA-N 0 3 290.389 -1.134 20 0 CAADHN CN(C)CCN(C)C(=O)Cn1ccc(=O)n(C)c1=O ZINC000176812008 230191090 /nfs/dbraw/zinc/19/10/90/230191090.db2.gz QZTMXVWAVBAJLB-UHFFFAOYSA-N 0 3 268.317 -1.433 20 0 CAADHN C[C@H]1NC(=O)N(CCN(C)CC(C)(CO)CO)C1=O ZINC001191731684 781918970 /nfs/dbraw/zinc/91/89/70/781918970.db2.gz XCFZQHAXVOFOLX-SECBINFHSA-N 0 3 273.333 -1.151 20 0 CAADHN O=C(Cn1cn[nH]c1=O)N1CCN2CCC[C@H]2C1 ZINC000186682852 230202945 /nfs/dbraw/zinc/20/29/45/230202945.db2.gz LROZPYLYIKAPMM-VIFPVBQESA-N 0 3 251.290 -1.122 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)[C@@H](CN)OC ZINC000227368753 230212753 /nfs/dbraw/zinc/21/27/53/230212753.db2.gz ICGYXLHQFPHYKI-SECBINFHSA-N 0 3 261.322 -1.429 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC000228754089 230213014 /nfs/dbraw/zinc/21/30/14/230213014.db2.gz OXSIZJNZKCIKBS-SKDRFNHKSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC000228754120 230213802 /nfs/dbraw/zinc/21/38/02/230213802.db2.gz OXSIZJNZKCIKBS-JOYOIKCWSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000228752667 230212144 /nfs/dbraw/zinc/21/21/44/230212144.db2.gz VEYBRLMNPGXVDU-ZDUSSCGKSA-N 0 3 298.343 -2.024 20 0 CAADHN NC(=O)C[C@H](N)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000250829908 230218733 /nfs/dbraw/zinc/21/87/33/230218733.db2.gz IRVDPOKSJPMXHD-UWVGGRQHSA-N 0 3 254.334 -1.114 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)CCS(C)(=O)=O)C[C@H]1N ZINC000261532676 230219653 /nfs/dbraw/zinc/21/96/53/230219653.db2.gz CBGRQKJSNGCLBA-HTQZYQBOSA-N 0 3 270.376 -1.360 20 0 CAADHN COCCNCC(=O)NCCS(=O)(=O)NC(C)C ZINC000262626655 230231386 /nfs/dbraw/zinc/23/13/86/230231386.db2.gz QXDJBVNCZCNUDL-UHFFFAOYSA-N 0 3 281.378 -1.334 20 0 CAADHN O=C(CNC[C@H]1CCCO1)N1CCN(CCO)CC1 ZINC000262361213 230228438 /nfs/dbraw/zinc/22/84/38/230228438.db2.gz KLJWAHPMUZIXQN-GFCCVEGCSA-N 0 3 271.361 -1.109 20 0 CAADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CCNC(=O)C1 ZINC000420044145 230259125 /nfs/dbraw/zinc/25/91/25/230259125.db2.gz SOMGTUOCUDZJKC-RKDXNWHRSA-N 0 3 298.343 -1.826 20 0 CAADHN COCCN(C)CCNC(=O)C(=O)N1CCN[C@@H](C)C1 ZINC000419366587 230253823 /nfs/dbraw/zinc/25/38/23/230253823.db2.gz ZLDCUDVQPWMWAY-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CN(C)C[C@H]1CN(C(=O)[C@H]2COCCN2)CCO1 ZINC000424181435 282139242 /nfs/dbraw/zinc/13/92/42/282139242.db2.gz RGCHGULVLJCSFZ-WDEREUQCSA-N 0 3 257.334 -1.236 20 0 CAADHN COCCN1CCN(C(=O)CCOC2CNC2)CC1=O ZINC000423896977 230277452 /nfs/dbraw/zinc/27/74/52/230277452.db2.gz OFZNWXNSIQXBIO-UHFFFAOYSA-N 0 3 285.344 -1.318 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000424135822 230277893 /nfs/dbraw/zinc/27/78/93/230277893.db2.gz MXHGBHCJQLWBSS-WDEREUQCSA-N 0 3 266.345 -1.244 20 0 CAADHN NC(=O)CNC(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2N)cc1 ZINC000424088338 230279665 /nfs/dbraw/zinc/27/96/65/230279665.db2.gz GURYCMMSQCNIPJ-WDEREUQCSA-N 0 3 290.323 -1.135 20 0 CAADHN Cn1cc(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]3N)C2=O)cn1 ZINC000424134672 230278996 /nfs/dbraw/zinc/27/89/96/230278996.db2.gz YPMWMENYTNUQDK-UTLUCORTSA-N 0 3 263.301 -1.011 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC2(C(N)=O)CC2)CC1=O ZINC000426910589 230287755 /nfs/dbraw/zinc/28/77/55/230287755.db2.gz ARMQTJDFCUIGKT-VIFPVBQESA-N 0 3 282.344 -1.469 20 0 CAADHN COCCCN(C)CCNC(=O)NCc1nnn(C)n1 ZINC000426013760 230288090 /nfs/dbraw/zinc/28/80/90/230288090.db2.gz AVPWMZPWYHWSFH-UHFFFAOYSA-N 0 3 285.352 -1.022 20 0 CAADHN NS(=O)(=O)c1ccc(CNC(=O)COC2CNC2)cc1 ZINC000429590743 230298506 /nfs/dbraw/zinc/29/85/06/230298506.db2.gz HLDFTUUEKFBBHM-UHFFFAOYSA-N 0 3 299.352 -1.061 20 0 CAADHN CCS(=O)(=O)N1CCN(C(=O)COC2CNC2)CC1 ZINC000430140901 230303342 /nfs/dbraw/zinc/30/33/42/230303342.db2.gz VROCZSIWGOREHR-UHFFFAOYSA-N 0 3 291.373 -1.531 20 0 CAADHN COCCNCC(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000430400644 230303818 /nfs/dbraw/zinc/30/38/18/230303818.db2.gz JXSMMXGISBNLPC-SECBINFHSA-N 0 3 264.347 -1.132 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)COC1CNC1 ZINC000430189559 230304306 /nfs/dbraw/zinc/30/43/06/230304306.db2.gz FFSOXXKXYUNCFS-UHFFFAOYSA-N 0 3 265.335 -1.970 20 0 CAADHN COCCNCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000430388369 230304672 /nfs/dbraw/zinc/30/46/72/230304672.db2.gz SWPCSHDEERFVOU-SECBINFHSA-N 0 3 279.362 -1.628 20 0 CAADHN CCS(=O)(=O)NCCCNC(=O)C[C@H]1CNCCO1 ZINC000430266290 230305233 /nfs/dbraw/zinc/30/52/33/230305233.db2.gz CPVJTVAGGYDHMA-JTQLQIEISA-N 0 3 293.389 -1.190 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)CNC[C@H]1CCCO1 ZINC000430197247 230305311 /nfs/dbraw/zinc/30/53/11/230305311.db2.gz OIYOQMZHHDKQMZ-SNVBAGLBSA-N 0 3 293.389 -1.190 20 0 CAADHN C[C@H](CNC(=O)COC1CNC1)N1CCN(C)CC1 ZINC000431009990 230309778 /nfs/dbraw/zinc/30/97/78/230309778.db2.gz LYPAUFGQCMGDOB-LLVKDONJSA-N 0 3 270.377 -1.273 20 0 CAADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)C[C@@H]1CNCCO1 ZINC000430900286 230313003 /nfs/dbraw/zinc/31/30/03/230313003.db2.gz PGUWBFPIHDYCCH-NEPJUHHUSA-N 0 3 298.387 -1.179 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)C[C@H]2CSCCN2)CCO1 ZINC000434870113 230319004 /nfs/dbraw/zinc/31/90/04/230319004.db2.gz AWUJCKBEPLKPTD-IUCAKERBSA-N 0 3 273.358 -1.206 20 0 CAADHN C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)N(C)C ZINC000436113939 230319968 /nfs/dbraw/zinc/31/99/68/230319968.db2.gz XEUVWZBVGFIYNO-SNVBAGLBSA-N 0 3 256.350 -1.173 20 0 CAADHN COC[C@](C)(CCO)NCC(=O)N1CCNC1=O ZINC000438479515 230322991 /nfs/dbraw/zinc/32/29/91/230322991.db2.gz PKYMVEYKAWLFLT-NSHDSACASA-N 0 3 259.306 -1.085 20 0 CAADHN COC(=O)[C@@H](O)C1CCN(CCC(=O)NC(N)=O)CC1 ZINC000441241553 230329248 /nfs/dbraw/zinc/32/92/48/230329248.db2.gz SRXJPWDIINJEOY-JTQLQIEISA-N 0 3 287.316 -1.183 20 0 CAADHN C[C@H](CO)N(CCN1C(=O)CNC1=O)C[C@H](C)O ZINC000443336008 230332263 /nfs/dbraw/zinc/33/22/63/230332263.db2.gz QTCIVHMUKGQWDC-BDAKNGLRSA-N 0 3 259.306 -1.398 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000446272920 230338892 /nfs/dbraw/zinc/33/88/92/230338892.db2.gz VPJWAIRRUXGAAS-XHNCKOQMSA-N 0 3 279.337 -1.164 20 0 CAADHN CC[C@H](N)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000424034297 529440823 /nfs/dbraw/zinc/44/08/23/529440823.db2.gz ZUQPHDCTFNRDNM-JTQLQIEISA-N 0 3 290.389 -1.831 20 0 CAADHN CC[C@H](N)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000163788365 529441886 /nfs/dbraw/zinc/44/18/86/529441886.db2.gz FXHFXARKWUXJGW-LBPRGKRZSA-N 0 3 298.387 -1.273 20 0 CAADHN CC[C@H](N)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000489983747 529441892 /nfs/dbraw/zinc/44/18/92/529441892.db2.gz NOXJSFULCLLZOB-JTQLQIEISA-N 0 3 282.344 -1.327 20 0 CAADHN CC[C@H](N)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000431060937 529441904 /nfs/dbraw/zinc/44/19/04/529441904.db2.gz HSDYLZOKCGJWEG-JTQLQIEISA-N 0 3 272.349 -1.712 20 0 CAADHN CS(=O)(=O)NCCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000446377234 230339918 /nfs/dbraw/zinc/33/99/18/230339918.db2.gz QAGGNRCUVHWKLE-JGVFFNPUSA-N 0 3 267.326 -1.258 20 0 CAADHN CC[C@H](Nc1nc(NCCO)nc(NC(C)C)n1)[C@H](C)O ZINC000450805213 529454947 /nfs/dbraw/zinc/45/49/47/529454947.db2.gz ZQANYWKFDJGUBL-UWVGGRQHSA-N 0 3 298.391 -1.067 20 0 CAADHN C[C@H](CNC(=O)C(=O)NCC(=O)N(C)C)N(C)C ZINC000445553814 230340298 /nfs/dbraw/zinc/34/02/98/230340298.db2.gz YRPAPZGIGJBUFZ-MRVPVSSYSA-N 0 3 258.322 -1.743 20 0 CAADHN CC[C@H](NC(=O)COC1CNC1)C(=O)N1CCOCC1 ZINC000430455772 529477927 /nfs/dbraw/zinc/47/79/27/529477927.db2.gz IGXJQENVVWOXPD-NSHDSACASA-N 0 3 285.344 -1.272 20 0 CAADHN COCC1(O)CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000456074666 230348380 /nfs/dbraw/zinc/34/83/80/230348380.db2.gz DIMNMUHCYVGRNC-NSHDSACASA-N 0 3 299.371 -1.384 20 0 CAADHN CN(C)C1(CN(C)C(=O)C(=O)N2CCNC(=O)C2)CCC1 ZINC000459834032 230351012 /nfs/dbraw/zinc/35/10/12/230351012.db2.gz OBRGMJWHNUFECT-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)C[C@@H](CO)O1 ZINC000459895121 230351630 /nfs/dbraw/zinc/35/16/30/230351630.db2.gz JGGKDSFDJQFXCV-MNOVXSKESA-N 0 3 287.360 -1.385 20 0 CAADHN CN(C)CCOCCNC(=O)N1C[C@H](O)C[C@H]1CO ZINC000471656143 230354476 /nfs/dbraw/zinc/35/44/76/230354476.db2.gz QQMWUJHEYNOYIX-WDEREUQCSA-N 0 3 275.349 -1.298 20 0 CAADHN CN(C)CCOCCNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000471654153 230354547 /nfs/dbraw/zinc/35/45/47/230354547.db2.gz QQMWUJHEYNOYIX-QWRGUYRKSA-N 0 3 275.349 -1.298 20 0 CAADHN CN(C)CCOCCNC(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000471656142 230355073 /nfs/dbraw/zinc/35/50/73/230355073.db2.gz QQMWUJHEYNOYIX-MNOVXSKESA-N 0 3 275.349 -1.298 20 0 CAADHN CN(C)CCNC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000491186205 230359985 /nfs/dbraw/zinc/35/99/85/230359985.db2.gz NDSOFMVKCMFYGA-AATRIKPKSA-N 0 3 280.328 -1.225 20 0 CAADHN C[C@H]1OCCN[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000494062403 230363463 /nfs/dbraw/zinc/36/34/63/230363463.db2.gz IBBQBXBWQPOXGJ-UTUOFQBUSA-N 0 3 298.387 -1.181 20 0 CAADHN C[C@H]1OC(=O)N[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000496239500 230364675 /nfs/dbraw/zinc/36/46/75/230364675.db2.gz PHZFPJFIERYIIV-XGEHTFHBSA-N 0 3 257.290 -1.383 20 0 CAADHN C[C@H](O)C[N@H+](CCO)CCCOC(=O)N=C(N)[O-] ZINC000495944869 230364505 /nfs/dbraw/zinc/36/45/05/230364505.db2.gz GVBKXDQDVHRULQ-QMMMGPOBSA-N 0 3 263.294 -1.144 20 0 CAADHN C[C@H](O)C[N@@H+](CCO)CCCOC(=O)N=C(N)[O-] ZINC000495944869 230364506 /nfs/dbraw/zinc/36/45/06/230364506.db2.gz GVBKXDQDVHRULQ-QMMMGPOBSA-N 0 3 263.294 -1.144 20 0 CAADHN C[C@H](O)C[N@H+](CCO)CCCOC([O-])=NC(N)=O ZINC000495944869 230364507 /nfs/dbraw/zinc/36/45/07/230364507.db2.gz GVBKXDQDVHRULQ-QMMMGPOBSA-N 0 3 263.294 -1.144 20 0 CAADHN C[C@H](O)C[N@@H+](CCO)CCCOC([O-])=NC(N)=O ZINC000495944869 230364508 /nfs/dbraw/zinc/36/45/08/230364508.db2.gz GVBKXDQDVHRULQ-QMMMGPOBSA-N 0 3 263.294 -1.144 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CCN2CCOC2=O)C[C@@H]1O ZINC000497289560 230365395 /nfs/dbraw/zinc/36/53/95/230365395.db2.gz NWOAIOFSLLQLBD-UWVGGRQHSA-N 0 3 271.317 -1.038 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CC2(C1)CNC(=O)O2 ZINC000496456014 230365016 /nfs/dbraw/zinc/36/50/16/230365016.db2.gz PRGQZOMHMGLAGG-SNVBAGLBSA-N 0 3 273.333 -1.280 20 0 CAADHN CC[C@@H](NC(=O)COC1CNC1)C(=O)N1CCOCC1 ZINC000430455771 529598279 /nfs/dbraw/zinc/59/82/79/529598279.db2.gz IGXJQENVVWOXPD-LLVKDONJSA-N 0 3 285.344 -1.272 20 0 CAADHN CC[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(N)=O ZINC000428823457 529658782 /nfs/dbraw/zinc/65/87/82/529658782.db2.gz FWCMVTHQSOPRIK-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CNCCNS(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000354130510 290669949 /nfs/dbraw/zinc/66/99/49/290669949.db2.gz KYHLWXXNHCCRAA-UHFFFAOYSA-N 0 3 287.407 -1.593 20 0 CAADHN CCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000573430600 334937056 /nfs/dbraw/zinc/93/70/56/334937056.db2.gz JFVUFEMGJFFLKS-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000573430599 334937113 /nfs/dbraw/zinc/93/71/13/334937113.db2.gz JFVUFEMGJFFLKS-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)CCN1C(=O)C[C@H](N[C@H]2CCC(=O)N(C)C2)C1=O ZINC000573455286 334939142 /nfs/dbraw/zinc/93/91/42/334939142.db2.gz GVXMERVLQHCECB-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)CN3CCN(C)C(=O)C3)C[C@@H]21 ZINC000452982241 529797680 /nfs/dbraw/zinc/79/76/80/529797680.db2.gz XYMRILZMWWDIIZ-NEPJUHHUSA-N 0 3 280.372 -1.077 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CN2CCOCC2=O)C1 ZINC000344608124 529799844 /nfs/dbraw/zinc/79/98/44/529799844.db2.gz JMSXNYHLSSWDMX-GFCCVEGCSA-N 0 3 271.317 -1.972 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000444323446 529799978 /nfs/dbraw/zinc/79/99/78/529799978.db2.gz KVCXYJINWGKVMS-CYBMUJFWSA-N 0 3 284.360 -2.057 20 0 CAADHN CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCNCC3)[C@@H]2C1 ZINC000423558007 529796685 /nfs/dbraw/zinc/79/66/85/529796685.db2.gz IVGXHFASTVPLOQ-VXGBXAGGSA-N 0 3 280.372 -1.029 20 0 CAADHN CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCNCC3)[C@H]2C1 ZINC000423558000 529796696 /nfs/dbraw/zinc/79/66/96/529796696.db2.gz IVGXHFASTVPLOQ-NEPJUHHUSA-N 0 3 280.372 -1.029 20 0 CAADHN CN(C)c1nc(C(=O)NCCN2CC[NH2+]CC2)cc(=O)[n-]1 ZINC000422739568 529804034 /nfs/dbraw/zinc/80/40/34/529804034.db2.gz ABZHKSWCDFMUNL-UHFFFAOYSA-N 0 3 294.359 -1.117 20 0 CAADHN CN(C)c1nc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc(=O)[n-]1 ZINC000423724498 529804290 /nfs/dbraw/zinc/80/42/90/529804290.db2.gz RLKSJTLURYFKSX-VIFPVBQESA-N 0 3 294.359 -1.118 20 0 CAADHN CN1C[C@@H]2CCCN(C(=O)C(=O)N3CCNC(=O)C3)[C@@H]2C1 ZINC000425373107 529821543 /nfs/dbraw/zinc/82/15/43/529821543.db2.gz LKPPWNDQYHERCM-WDEREUQCSA-N 0 3 294.355 -1.503 20 0 CAADHN CN1C[C@@H]2CCCN(C(=O)[C@H](CO)NC(N)=O)[C@@H]2C1 ZINC000425057996 529822693 /nfs/dbraw/zinc/82/26/93/529822693.db2.gz NYDYLVKEPPGNCO-LPEHRKFASA-N 0 3 270.333 -1.432 20 0 CAADHN C[N@H+]1C[C@H]2CN(C(=O)CN3CC(=O)[N-]C3=O)C[C@H]2C1 ZINC000192495178 529823699 /nfs/dbraw/zinc/82/36/99/529823699.db2.gz DNRMNOUQAWWSQB-DTORHVGOSA-N 0 3 266.301 -1.442 20 0 CAADHN C[N@@H+]1C[C@H]2CN(C(=O)CN3CC(=O)[N-]C3=O)C[C@H]2C1 ZINC000192495178 529823700 /nfs/dbraw/zinc/82/37/00/529823700.db2.gz DNRMNOUQAWWSQB-DTORHVGOSA-N 0 3 266.301 -1.442 20 0 CAADHN CN1C[C@H](NC(=O)NCC2(O)CCN(C)CC2)CC1=O ZINC000362754912 529828476 /nfs/dbraw/zinc/82/84/76/529828476.db2.gz CHKWCWVFJYHQSV-SNVBAGLBSA-N 0 3 284.360 -1.027 20 0 CAADHN CN1C[C@H](NC(=O)[C@H]2CN3CCN2CCC3)CC1=O ZINC000362708177 529829237 /nfs/dbraw/zinc/82/92/37/529829237.db2.gz VVRGNRZEQZQLPB-GHMZBOCLSA-N 0 3 266.345 -1.277 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001191873003 781923612 /nfs/dbraw/zinc/92/36/12/781923612.db2.gz PMKPGOFXRPWJOD-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)CC(=O)N1CCN(CCN(C)C)CC1 ZINC000355383546 529844412 /nfs/dbraw/zinc/84/44/12/529844412.db2.gz NGZNEPWVKCDBKD-UHFFFAOYSA-N 0 3 256.350 -1.172 20 0 CAADHN CNC(=O)CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000184860520 529844511 /nfs/dbraw/zinc/84/45/11/529844511.db2.gz BQDHBIZPEQBPNN-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CNc1nc(N[C@@H]2CCOC2)nc(N[C@H]2CCOC2)n1 ZINC000345043853 529833790 /nfs/dbraw/zinc/83/37/90/529833790.db2.gz KHXHGCKKYRZBKO-DTORHVGOSA-N 0 3 280.332 -1.419 20 0 CAADHN CNC(=O)CN(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000344288749 529860711 /nfs/dbraw/zinc/86/07/11/529860711.db2.gz RAQRUUOUHFCPDC-JTQLQIEISA-N 0 3 284.360 -1.399 20 0 CAADHN CNC(=O)CN1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000492071686 529862717 /nfs/dbraw/zinc/86/27/17/529862717.db2.gz GLKJVYWYFZUVGJ-PLNGDYQASA-N 0 3 268.361 -1.006 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCC[C@@H]1C(=O)NC ZINC000429780686 529880340 /nfs/dbraw/zinc/88/03/40/529880340.db2.gz CLOIENONPAFMFW-JGVFFNPUSA-N 0 3 256.306 -1.054 20 0 CAADHN CN(CCCN(C)[C@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352792186 529886013 /nfs/dbraw/zinc/88/60/13/529886013.db2.gz LFDXMQCTWJRKMZ-FNFFVJSTSA-N 0 3 274.361 -1.241 20 0 CAADHN CN(CCC(=O)N1CCNCC1)CC(=O)N1CCOCC1 ZINC000262148710 529870557 /nfs/dbraw/zinc/87/05/57/529870557.db2.gz PCUSANLOOUVGAI-UHFFFAOYSA-N 0 3 298.387 -1.401 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCNCC1 ZINC000423529770 529900713 /nfs/dbraw/zinc/90/07/13/529900713.db2.gz VTYVAMCFANACLR-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)/C=C/CN(C)C ZINC000491854717 529902064 /nfs/dbraw/zinc/90/20/64/529902064.db2.gz YPHXGGFMTGJRBY-ZRQQLDRUSA-N 0 3 296.371 -1.043 20 0 CAADHN CNC(=O)[C@@H](C)CN(C)CCN1C(=O)CNC1=O ZINC000081527670 529894505 /nfs/dbraw/zinc/89/45/05/529894505.db2.gz PBVWJHDLNCLFDJ-QMMMGPOBSA-N 0 3 256.306 -1.148 20 0 CAADHN CNC(=O)[C@@H](C)CN(C)Cc1cc(=O)n(C)c(=O)n1C ZINC000081556325 529894632 /nfs/dbraw/zinc/89/46/32/529894632.db2.gz KGXGOLSPGFRVHI-VIFPVBQESA-N 0 3 282.344 -1.102 20 0 CAADHN CN(CCN(C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000329201252 529903506 /nfs/dbraw/zinc/90/35/06/529903506.db2.gz WODGYXXPBQZOOK-DDHJBXDOSA-N 0 3 260.334 -1.631 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000332730007 529904776 /nfs/dbraw/zinc/90/47/76/529904776.db2.gz RBXYSPVZECWDDN-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000332730009 529904823 /nfs/dbraw/zinc/90/48/23/529904823.db2.gz RBXYSPVZECWDDN-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CCN(CC2CC2)CC1 ZINC000423129712 529904894 /nfs/dbraw/zinc/90/48/94/529904894.db2.gz MBULLQGRUQKBSR-UHFFFAOYSA-N 0 3 268.361 -1.042 20 0 CAADHN CN(CCN)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000419245196 529905566 /nfs/dbraw/zinc/90/55/66/529905566.db2.gz LBPTVNSUZWQPSO-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN CNC(=O)[C@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000430504757 529921891 /nfs/dbraw/zinc/92/18/91/529921891.db2.gz NXVOSRAGTROBAR-VIFPVBQESA-N 0 3 255.318 -1.041 20 0 CAADHN CN(CCNC(=O)NCCN1CCNC(=O)C1)C1CC1 ZINC000358451848 529914463 /nfs/dbraw/zinc/91/44/63/529914463.db2.gz JUBNXWMYCHQRGB-UHFFFAOYSA-N 0 3 283.376 -1.188 20 0 CAADHN CN(C[C@@H](O)CNC[C@H](O)C(N)=O)C(=O)OC(C)(C)C ZINC000496605571 529942552 /nfs/dbraw/zinc/94/25/52/529942552.db2.gz KUBXMYOMZGXEOJ-IUCAKERBSA-N 0 3 291.348 -1.350 20 0 CAADHN CN(C[C@@H](O)CN1CCN(S(N)(=O)=O)CC1)C1CC1 ZINC000331928101 529941947 /nfs/dbraw/zinc/94/19/47/529941947.db2.gz WCORRUXRXCVVCG-LLVKDONJSA-N 0 3 292.405 -1.737 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)/C=C\CN(C)C ZINC000491854630 529923404 /nfs/dbraw/zinc/92/34/04/529923404.db2.gz YPHXGGFMTGJRBY-JPVGGKMYSA-N 0 3 296.371 -1.043 20 0 CAADHN CN(C[C@@H](O)Cn1nnc2c(cnn2C)c1=O)C1CC1 ZINC000336834953 529944127 /nfs/dbraw/zinc/94/41/27/529944127.db2.gz IWYOWBPSLZXHNT-SECBINFHSA-N 0 3 278.316 -1.020 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCC1(N(C)C)CC1 ZINC000573574066 334948544 /nfs/dbraw/zinc/94/85/44/334948544.db2.gz ZZYPQXJRTSJRST-UHFFFAOYSA-N 0 3 264.351 -1.749 20 0 CAADHN CNCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803575 529956330 /nfs/dbraw/zinc/95/63/30/529956330.db2.gz CLEUOGDNKOFNJV-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCOC1 ZINC000672281265 545593255 /nfs/dbraw/zinc/59/32/55/545593255.db2.gz ZBOUDSYIVBPNRN-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CN(C[C@H](O)CN(C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352791836 529959329 /nfs/dbraw/zinc/95/93/29/529959329.db2.gz JHGGHQALQPGABA-VEGXAWMVSA-N 0 3 290.360 -2.270 20 0 CAADHN CN(C[C@H](O)CNC[C@H](O)C(N)=O)C(=O)OC(C)(C)C ZINC000496605569 529960127 /nfs/dbraw/zinc/96/01/27/529960127.db2.gz KUBXMYOMZGXEOJ-BDAKNGLRSA-N 0 3 291.348 -1.350 20 0 CAADHN CN(C[C@H](O)CNC[C@@H](O)C(N)=O)C(=O)OC(C)(C)C ZINC000496605572 529960144 /nfs/dbraw/zinc/96/01/44/529960144.db2.gz KUBXMYOMZGXEOJ-RKDXNWHRSA-N 0 3 291.348 -1.350 20 0 CAADHN CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CCNC(=O)C1 ZINC000459836578 529965166 /nfs/dbraw/zinc/96/51/66/529965166.db2.gz UTQNFRKCNARQTF-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN C[NH2+]CCCNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000428140416 529967201 /nfs/dbraw/zinc/96/72/01/529967201.db2.gz ITZOJEKSPCOGKN-UHFFFAOYSA-N 0 3 289.361 -1.576 20 0 CAADHN CNCCNS(=O)(=O)c1cc(C(=O)NC)n(C)c1 ZINC000054244627 529978674 /nfs/dbraw/zinc/97/86/74/529978674.db2.gz HGIHGCYUASQFBJ-UHFFFAOYSA-N 0 3 274.346 -1.118 20 0 CAADHN C[NH2+]C[C@H]1CCCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000429492270 530002304 /nfs/dbraw/zinc/00/23/04/530002304.db2.gz OAQWDGQEXBDYLL-MRVPVSSYSA-N 0 3 254.290 -1.251 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCN(CCN(C)C)CC1 ZINC000435230429 530013596 /nfs/dbraw/zinc/01/35/96/530013596.db2.gz CFQHMRURFZVDNN-UHFFFAOYSA-N 0 3 292.405 -1.759 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN(C)CCCOC ZINC000435372481 530014066 /nfs/dbraw/zinc/01/40/66/530014066.db2.gz JSUBGFHIDLMFMY-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H](C)CN(C)C ZINC000332498100 530022491 /nfs/dbraw/zinc/02/24/91/530022491.db2.gz HNDDJNGYHNGJNN-ZETCQYMHSA-N 0 3 252.340 -1.894 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000450798184 530022543 /nfs/dbraw/zinc/02/25/43/530022543.db2.gz RSKOJKOSDNWVIF-DTWKUNHWSA-N 0 3 278.378 -1.361 20 0 CAADHN CNS(=O)(=O)CCNC(=O)NCCN(C)CCOC ZINC000439078115 530016436 /nfs/dbraw/zinc/01/64/36/530016436.db2.gz OYKZDCDLKUFCHI-UHFFFAOYSA-N 0 3 296.393 -1.587 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCCN(C)[C@H]1C ZINC000450798185 530022919 /nfs/dbraw/zinc/02/29/19/530022919.db2.gz RSKOJKOSDNWVIF-IUCAKERBSA-N 0 3 278.378 -1.361 20 0 CAADHN CNS(=O)(=O)N1CCN(C(=O)/C=C\CN(C)C)CC1 ZINC000493003832 530020398 /nfs/dbraw/zinc/02/03/98/530020398.db2.gz IRLZHIYEVGKNBW-PLNGDYQASA-N 0 3 290.389 -1.287 20 0 CAADHN CNS(=O)(=O)NCC1CCN(CCO)CC1 ZINC000351951503 530023142 /nfs/dbraw/zinc/02/31/42/530023142.db2.gz LDYXAZZBVWDALT-UHFFFAOYSA-N 0 3 251.352 -1.256 20 0 CAADHN CN1C(=O)CC[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)C1=O ZINC000333400373 530040976 /nfs/dbraw/zinc/04/09/76/530040976.db2.gz FOOFKPKQBOYMJP-GHMZBOCLSA-N 0 3 294.355 -1.360 20 0 CAADHN CN1C(=O)CC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)C1=O ZINC000333400379 530042259 /nfs/dbraw/zinc/04/22/59/530042259.db2.gz FOOFKPKQBOYMJP-WDEREUQCSA-N 0 3 294.355 -1.360 20 0 CAADHN C[NH2+][C@@H]1CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000261734496 530043132 /nfs/dbraw/zinc/04/31/32/530043132.db2.gz NEWAZXDVLPJUAY-MRVPVSSYSA-N 0 3 254.290 -1.251 20 0 CAADHN CN1CCC(O)(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000354734563 530050679 /nfs/dbraw/zinc/05/06/79/530050679.db2.gz OVJPQAXBJIXYNA-NSHDSACASA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000134483127 530053219 /nfs/dbraw/zinc/05/32/19/530053219.db2.gz WPPDBAFTYPTQHK-UHFFFAOYSA-N 0 3 254.290 -1.298 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2nnn(C)n2)CC1 ZINC000193446264 530055794 /nfs/dbraw/zinc/05/57/94/530055794.db2.gz BXYDBEZPUDPSQS-LLVKDONJSA-N 0 3 293.375 -1.052 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)CN1CCNCC1=O ZINC000431040457 530057271 /nfs/dbraw/zinc/05/72/71/530057271.db2.gz MLXNDAXQVRWHPF-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN CN1CCC[C@H]1CNC(=O)CN1CCNCC1=O ZINC000431040456 530063036 /nfs/dbraw/zinc/06/30/36/530063036.db2.gz MLXNDAXQVRWHPF-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)C[C@@H]2CNCCO2)CC1 ZINC000430760269 530067023 /nfs/dbraw/zinc/06/70/23/530067023.db2.gz GSBZBAVFYKMWJK-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)C2(N)CC2)CC1 ZINC000430760019 530067348 /nfs/dbraw/zinc/06/73/48/530067348.db2.gz QBWJJZPEIFUZDL-UHFFFAOYSA-N 0 3 254.334 -1.242 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)C[C@H]2CNCCO2)CC1 ZINC000430760270 530067401 /nfs/dbraw/zinc/06/74/01/530067401.db2.gz GSBZBAVFYKMWJK-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CCN(C(=O)CCN2CCOC2=O)[C@H](CN)C1 ZINC000496229448 530067491 /nfs/dbraw/zinc/06/74/91/530067491.db2.gz SRWOUXUZQSUAIX-SNVBAGLBSA-N 0 3 270.333 -1.070 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)[C@]2(F)CCNC2)CC1 ZINC000178700844 530067690 /nfs/dbraw/zinc/06/76/90/530067690.db2.gz WURHZNGIUSPCNL-ZDUSSCGKSA-N 0 3 286.351 -1.032 20 0 CAADHN CN1CCN(C(=O)CN[C@H](CO)[C@H]2CCCO2)CC1 ZINC000447902418 530068314 /nfs/dbraw/zinc/06/83/14/530068314.db2.gz FCQNXFLWRPQWHU-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCN(C(=O)CN[C@@H](CO)[C@H]2CCCO2)CC1 ZINC000447902416 530068343 /nfs/dbraw/zinc/06/83/43/530068343.db2.gz FCQNXFLWRPQWHU-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCN(C(=O)[C@H](O)C2CCOCC2)[C@H](CN)C1 ZINC000573724183 334961169 /nfs/dbraw/zinc/96/11/69/334961169.db2.gz VLWKAHIBLZOOIL-VXGBXAGGSA-N 0 3 271.361 -1.125 20 0 CAADHN CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1)C1CC1 ZINC001191987126 781926125 /nfs/dbraw/zinc/92/61/25/781926125.db2.gz GFOGNJHYAZWWLN-UTUOFQBUSA-N 0 3 299.371 -1.162 20 0 CAADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000672693391 545593997 /nfs/dbraw/zinc/59/39/97/545593997.db2.gz VQTOBEUPWVDCLT-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CN(CCN(CCN1CCCC1)C(=O)CO)C(=O)CO ZINC000672466461 545594175 /nfs/dbraw/zinc/59/41/75/545594175.db2.gz DIHKHYFQMXOXRP-UHFFFAOYSA-N 0 3 287.360 -1.646 20 0 CAADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191989243 781928350 /nfs/dbraw/zinc/92/83/50/781928350.db2.gz ZSICEAQODXSMPM-NXEZZACHSA-N 0 3 273.333 -1.550 20 0 CAADHN CC(C(=O)N[C@H](CO)CN1CCCC1)S(C)(=O)=O ZINC000673533804 545594748 /nfs/dbraw/zinc/59/47/48/545594748.db2.gz VQNRHYJNJUXGAT-UWVGGRQHSA-N 0 3 278.374 -1.008 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](CO)CN(C)C ZINC000673522440 545594984 /nfs/dbraw/zinc/59/49/84/545594984.db2.gz VXBPBAZQNBXQQF-ZETCQYMHSA-N 0 3 253.324 -2.426 20 0 CAADHN Cn1nc(C(=O)N[C@@H](CO)CN2CCCC2)ccc1=O ZINC000673530953 545595093 /nfs/dbraw/zinc/59/50/93/545595093.db2.gz NDAVGUZVYIZLHZ-SNVBAGLBSA-N 0 3 280.328 -1.033 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCS(=O)(=O)N(C)C ZINC000673522275 545595190 /nfs/dbraw/zinc/59/51/90/545595190.db2.gz FZVRWFDWXUXPLL-VIFPVBQESA-N 0 3 281.378 -1.693 20 0 CAADHN Cn1cnn(CC(=O)N[C@H](CO)CN2CCCC2)c1=O ZINC000673530403 545594862 /nfs/dbraw/zinc/59/48/62/545594862.db2.gz IGYIOWGNMSOQMH-JTQLQIEISA-N 0 3 283.332 -1.845 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1ccc(=O)n(C)n1 ZINC000673524491 545595216 /nfs/dbraw/zinc/59/52/16/545595216.db2.gz WEFAHSMQWSYWIZ-QMMMGPOBSA-N 0 3 254.290 -1.567 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1CSCC1=O ZINC000673520332 545595268 /nfs/dbraw/zinc/59/52/68/545595268.db2.gz DMRJTKREYMSMSA-MRVPVSSYSA-N 0 3 261.347 -1.442 20 0 CAADHN CN(CC(=O)N[C@H](CO)CN1CCCC1)S(C)(=O)=O ZINC000673531287 545595480 /nfs/dbraw/zinc/59/54/80/545595480.db2.gz MPSPTEVNHVOXDF-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN O=C(CN1CCOCC1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000673516479 545595748 /nfs/dbraw/zinc/59/57/48/545595748.db2.gz HWMDIDPPZYRITB-CHWSQXEVSA-N 0 3 283.372 -1.014 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1C(=O)CN(C)C1=O ZINC000673519615 545595766 /nfs/dbraw/zinc/59/57/66/545595766.db2.gz BISRIOXEVQAFRD-MRVPVSSYSA-N 0 3 272.305 -2.081 20 0 CAADHN C[C@@H](C(=O)N[C@H](CO)CN(C)C)N1CCN(C)CC1 ZINC000673520946 545595793 /nfs/dbraw/zinc/59/57/93/545595793.db2.gz MIJPWNYOUKXUCV-RYUDHWBXSA-N 0 3 272.393 -1.339 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CNC(=O)c1cccnc1 ZINC000673519936 545595637 /nfs/dbraw/zinc/59/56/37/545595637.db2.gz AEQZORQMUMXLJP-LLVKDONJSA-N 0 3 280.328 -1.150 20 0 CAADHN CN(C)CCn1cc(NC(=O)NC(CO)CO)cn1 ZINC000673872239 545596195 /nfs/dbraw/zinc/59/61/95/545596195.db2.gz VVMWJFRLKIVDBF-UHFFFAOYSA-N 0 3 271.321 -1.081 20 0 CAADHN NC(=O)NC(=O)CCN1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000355786027 303268089 /nfs/dbraw/zinc/26/80/89/303268089.db2.gz QXVGPZAABZQBBE-MRVPVSSYSA-N 0 3 292.361 -1.428 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001191977533 781929734 /nfs/dbraw/zinc/92/97/34/781929734.db2.gz FETMHPYAUKZTIZ-GMTAPVOTSA-N 0 3 285.344 -1.550 20 0 CAADHN NC(=O)NC(=O)CCN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000355786028 303268195 /nfs/dbraw/zinc/26/81/95/303268195.db2.gz QXVGPZAABZQBBE-QMMMGPOBSA-N 0 3 292.361 -1.428 20 0 CAADHN CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)CC(N)=O)C2)C1 ZINC001191979802 781929891 /nfs/dbraw/zinc/92/98/91/781929891.db2.gz WIRHVILYCHZSEC-KIDURHIOSA-N 0 3 299.371 -1.162 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001191977535 781930161 /nfs/dbraw/zinc/93/01/61/781930161.db2.gz FETMHPYAUKZTIZ-HBNTYKKESA-N 0 3 285.344 -1.550 20 0 CAADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN)CC1 ZINC000347624487 282849523 /nfs/dbraw/zinc/84/95/23/282849523.db2.gz NIWBYOCQBHMFBA-UHFFFAOYSA-N 0 3 275.316 -1.029 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2COCCO2)CC1=O ZINC000673644133 545596898 /nfs/dbraw/zinc/59/68/98/545596898.db2.gz SXICDEUZBCIQPW-NWDGAFQWSA-N 0 3 299.371 -1.072 20 0 CAADHN O[C@@H](CN1CCOCC1)CN1C[C@H](O)C[C@H](O)C1 ZINC000674464426 545597809 /nfs/dbraw/zinc/59/78/09/545597809.db2.gz CQQVDRIXCQUFIY-TUAOUCFPSA-N 0 3 260.334 -1.893 20 0 CAADHN C[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)N(C)C1CC1 ZINC000668095754 545591846 /nfs/dbraw/zinc/59/18/46/545591846.db2.gz PPTVASHMCHRKKO-VIFPVBQESA-N 0 3 292.405 -1.019 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N(C)CCN1CCCC1 ZINC000668199595 545591861 /nfs/dbraw/zinc/59/18/61/545591861.db2.gz ZGFSXZUAKWMEJT-UHFFFAOYSA-N 0 3 292.405 -1.063 20 0 CAADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000668199888 545591613 /nfs/dbraw/zinc/59/16/13/545591613.db2.gz GAFFXMWBBJIZSF-NSHDSACASA-N 0 3 294.355 -1.359 20 0 CAADHN COCCN(C)[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001192037951 781931865 /nfs/dbraw/zinc/93/18/65/781931865.db2.gz MIGPFFBXLVMZNT-UWVGGRQHSA-N 0 3 270.333 -1.153 20 0 CAADHN O[C@@H]1C[C@H](O)CN(C/C=C/CN2C[C@H](O)C[C@H](O)C2)C1 ZINC000674496738 545598897 /nfs/dbraw/zinc/59/88/97/545598897.db2.gz DFDUAOXDIGMPGT-DFNZGJFHSA-N 0 3 286.372 -1.602 20 0 CAADHN COCCN(C)[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001192037952 781932180 /nfs/dbraw/zinc/93/21/80/781932180.db2.gz MIGPFFBXLVMZNT-VHSXEESVSA-N 0 3 270.333 -1.153 20 0 CAADHN CN(CCN1CCOCC1)C(=O)COC1CNC1 ZINC000573959108 334980582 /nfs/dbraw/zinc/98/05/82/334980582.db2.gz QPIVUPIJHXYOOV-UHFFFAOYSA-N 0 3 257.334 -1.235 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2C[C@H](O)C[C@H](O)C2)CC1=O ZINC000674808574 545599952 /nfs/dbraw/zinc/59/99/52/545599952.db2.gz VPZZIAAEUWKKRM-UTUOFQBUSA-N 0 3 299.371 -1.649 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2C[C@H](O)C[C@H](O)C2)CC1=O ZINC000674808573 545600030 /nfs/dbraw/zinc/60/00/30/545600030.db2.gz VPZZIAAEUWKKRM-SDDRHHMPSA-N 0 3 299.371 -1.649 20 0 CAADHN COCCOCCN(C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072347 781933742 /nfs/dbraw/zinc/93/37/42/781933742.db2.gz DOYIHUVGNBWLGB-SNVBAGLBSA-N 0 3 273.333 -1.333 20 0 CAADHN CN1CC[C@@H]2OCCN(C(=O)[C@H]3COCCN3)[C@@H]2C1 ZINC000424188706 283086784 /nfs/dbraw/zinc/08/67/84/283086784.db2.gz YUCZKXJMGBXUOA-UTUOFQBUSA-N 0 3 269.345 -1.094 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCCNC(=O)C2CC2)C1 ZINC000358655024 283100697 /nfs/dbraw/zinc/10/06/97/283100697.db2.gz ALQXGVIWISMBGM-CYBMUJFWSA-N 0 3 284.360 -1.122 20 0 CAADHN O[C@@H](COC[C@@H]1CCCO1)CN1C[C@@H](O)[C@@H](O)C1 ZINC000676490116 545603234 /nfs/dbraw/zinc/60/32/34/545603234.db2.gz SKWLBSUUFMVDFA-KXNHARMFSA-N 0 3 261.318 -1.420 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC2(C(N)=O)CCC2)CC1=O ZINC000676670936 545603343 /nfs/dbraw/zinc/60/33/43/545603343.db2.gz DUQTYOJQZIIVDN-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@H]1N ZINC000424199502 291113631 /nfs/dbraw/zinc/11/36/31/291113631.db2.gz YVBOQQNALUNHQG-GJMOJQLCSA-N 0 3 255.274 -1.776 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC2(C(N)=O)CCC2)CC1=O ZINC000676670940 545603715 /nfs/dbraw/zinc/60/37/15/545603715.db2.gz DUQTYOJQZIIVDN-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)C[C@@H](C)NCCNS(=O)(=O)NC(C)C ZINC000429417830 283327880 /nfs/dbraw/zinc/32/78/80/283327880.db2.gz HPEOKNZIDBQXIS-SECBINFHSA-N 0 3 280.394 -1.067 20 0 CAADHN CNC(=O)NC(=O)CCN(C)CC(=O)N1CCNCC1 ZINC000038031427 283345237 /nfs/dbraw/zinc/34/52/37/283345237.db2.gz WUVHPABUBMZVRR-UHFFFAOYSA-N 0 3 285.348 -1.804 20 0 CAADHN CNC(=O)N[C@@H]1CCN(CCCC(=O)NC(N)=O)C1 ZINC000342362300 283373816 /nfs/dbraw/zinc/37/38/16/283373816.db2.gz ZWYDZQUJPPTWFA-MRVPVSSYSA-N 0 3 271.321 -1.035 20 0 CAADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)N1CCNC(=O)C1 ZINC000331195540 283446436 /nfs/dbraw/zinc/44/64/36/283446436.db2.gz SBFCVVYXPSXJKL-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN COC(=O)NC(C)(C)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000496749017 291190461 /nfs/dbraw/zinc/19/04/61/291190461.db2.gz ADLFZOODMNZILC-RKDXNWHRSA-N 0 3 298.343 -1.109 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001192172261 781936995 /nfs/dbraw/zinc/93/69/95/781936995.db2.gz MBBKHGRYTDUENW-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN COCCN1C[C@@H](O)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001192103234 781937886 /nfs/dbraw/zinc/93/78/86/781937886.db2.gz KMUVKBZJXYYWDF-NXEZZACHSA-N 0 3 283.332 -1.455 20 0 CAADHN O=C(CCc1nnc[nH]1)N[C@@H]1CN(CCO)C[C@H]1O ZINC001192109919 781938264 /nfs/dbraw/zinc/93/82/64/781938264.db2.gz RRTGERTWSXGKGF-RKDXNWHRSA-N 0 3 269.305 -2.109 20 0 CAADHN O=C(CCc1nc[nH]n1)N[C@@H]1CN(CCO)C[C@H]1O ZINC001192109919 781938275 /nfs/dbraw/zinc/93/82/75/781938275.db2.gz RRTGERTWSXGKGF-RKDXNWHRSA-N 0 3 269.305 -2.109 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001192321373 781939183 /nfs/dbraw/zinc/93/91/83/781939183.db2.gz YGMFGNSLBUEYDQ-NXEZZACHSA-N 0 3 299.331 -1.819 20 0 CAADHN CNS(=O)(=O)[C@H]1CCN(C[C@H]2CNC(=O)C2)C1 ZINC001192391254 781941885 /nfs/dbraw/zinc/94/18/85/781941885.db2.gz RFQKGVVLTDZHQS-BDAKNGLRSA-N 0 3 261.347 -1.254 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CCCOC)C[C@H]1O ZINC001192444124 781943771 /nfs/dbraw/zinc/94/37/71/781943771.db2.gz HLYFIESQRLCZQY-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CCC[C@H](C)O)C[C@H]1O ZINC001192463723 781945992 /nfs/dbraw/zinc/94/59/92/781945992.db2.gz YGFYFIVFLDRHOL-HBNTYKKESA-N 0 3 287.360 -1.555 20 0 CAADHN CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1)OC ZINC001192462511 781946557 /nfs/dbraw/zinc/94/65/57/781946557.db2.gz GICRVUPCWYAMNY-HBNTYKKESA-N 0 3 287.360 -1.291 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CCCCOC)C[C@H]1O ZINC001192462889 781947168 /nfs/dbraw/zinc/94/71/68/781947168.db2.gz NDZCBPURPAUYAR-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192445460 781947817 /nfs/dbraw/zinc/94/78/17/781947817.db2.gz XYWUBRLGSPUOTH-DJLDLDEBSA-N 0 3 258.322 -1.386 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CCNC(=O)NC)C1 ZINC001192686463 781955186 /nfs/dbraw/zinc/95/51/86/781955186.db2.gz MUIVCQNWPFNWAF-NXEZZACHSA-N 0 3 272.349 -1.123 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192836654 781956272 /nfs/dbraw/zinc/95/62/72/781956272.db2.gz AVTFAUJRBSXFJQ-LLVKDONJSA-N 0 3 297.359 -1.030 20 0 CAADHN O=C(CNC[C@H]1CCCO1)N1CCN2C(=O)NC[C@H]2C1 ZINC000430062371 283847200 /nfs/dbraw/zinc/84/72/00/283847200.db2.gz TXQPIJZWJVFXAJ-WDEREUQCSA-N 0 3 282.344 -1.009 20 0 CAADHN COCCN1CCCN(C(=O)[C@H](CN)OC)CC1=O ZINC000576577001 335218254 /nfs/dbraw/zinc/21/82/54/335218254.db2.gz UXLHFUPDMBVDJU-JTQLQIEISA-N 0 3 273.333 -1.333 20 0 CAADHN NC(=O)c1cc(NC(=O)[C@H]2CN3CCN2CCC3)n[nH]1 ZINC000677918407 545605906 /nfs/dbraw/zinc/60/59/06/545605906.db2.gz BRKVUCXBQJCOQT-SECBINFHSA-N 0 3 278.316 -1.163 20 0 CAADHN COCCN1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000677882043 545606158 /nfs/dbraw/zinc/60/61/58/545606158.db2.gz ATWUMDHFYCITHC-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN CO[C@H](CN)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000353150887 294415171 /nfs/dbraw/zinc/41/51/71/294415171.db2.gz NQDIHAGSUXTKQB-RKDXNWHRSA-N 0 3 279.362 -1.500 20 0 CAADHN NC(=O)N[C@@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000677944778 545606689 /nfs/dbraw/zinc/60/66/89/545606689.db2.gz YNHMBKWOHWIDRV-GHMZBOCLSA-N 0 3 281.360 -1.355 20 0 CAADHN COC(=O)C[C@@H]1CN(C(=O)[C@H](CN)OC)CCO1 ZINC000574274151 335005566 /nfs/dbraw/zinc/00/55/66/335005566.db2.gz JXUZGWJQOZOOKG-BDAKNGLRSA-N 0 3 260.290 -1.249 20 0 CAADHN COC(=O)C[C@H]1CN(C(=O)[C@@H](CN)OC)CCO1 ZINC000574274152 335005807 /nfs/dbraw/zinc/00/58/07/335005807.db2.gz JXUZGWJQOZOOKG-DTWKUNHWSA-N 0 3 260.290 -1.249 20 0 CAADHN Cn1cc(CNCCN2CCC2)c(=O)n(C)c1=O ZINC000574301339 335008637 /nfs/dbraw/zinc/00/86/37/335008637.db2.gz CPUQBFONBJPEQO-UHFFFAOYSA-N 0 3 252.318 -1.121 20 0 CAADHN NC[C@@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000574308202 335009028 /nfs/dbraw/zinc/00/90/28/335009028.db2.gz RVFPRSHPGHHNDS-NSHDSACASA-N 0 3 294.355 -1.231 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)CN(C)C ZINC000332517323 296142156 /nfs/dbraw/zinc/14/21/56/296142156.db2.gz PQOQVHJYKHLEDV-JGVFFNPUSA-N 0 3 251.352 -1.010 20 0 CAADHN C[C@@H](O)CN1CCN(C(=O)[C@H]2CNCCO2)C[C@@H]1C ZINC000188187315 296185154 /nfs/dbraw/zinc/18/51/54/296185154.db2.gz LGMNDKZYDVBLJE-QJPTWQEYSA-N 0 3 271.361 -1.112 20 0 CAADHN CCN(C)CCNC(=O)CNS(=O)(=O)NC ZINC000516306885 284333982 /nfs/dbraw/zinc/33/39/82/284333982.db2.gz BPGNCVFOVBCUAF-UHFFFAOYSA-N 0 3 252.340 -1.892 20 0 CAADHN CN(C)CCN(C)C(=O)CS(=O)(=O)N(C)C ZINC000332465938 372765873 /nfs/dbraw/zinc/76/58/73/372765873.db2.gz KCUDVDKHAJYZDV-UHFFFAOYSA-N 0 3 251.352 -1.102 20 0 CAADHN CCOC(=O)[C@@H](N)C(=O)NCCOCCN(C)C ZINC000233675394 372789412 /nfs/dbraw/zinc/78/94/12/372789412.db2.gz SDEYPBGXOKGEBM-VIFPVBQESA-N 0 3 261.322 -1.429 20 0 CAADHN COCCN(C)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC000625131755 372792057 /nfs/dbraw/zinc/79/20/57/372792057.db2.gz CKNBRKTVTTWBLZ-UHFFFAOYSA-N 0 3 286.332 -1.425 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCCN(C(N)=O)C2)C[C@@H]1O ZINC000584003314 372792801 /nfs/dbraw/zinc/79/28/01/372792801.db2.gz BCALBSJKDYZXOF-DCAQKATOSA-N 0 3 284.360 -1.090 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000616385173 372772486 /nfs/dbraw/zinc/77/24/86/372772486.db2.gz AJXZPXUZPKVSQN-UMSGYPCISA-N 0 3 284.356 -1.048 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000616385172 372772783 /nfs/dbraw/zinc/77/27/83/372772783.db2.gz AJXZPXUZPKVSQN-FDYHWXHSSA-N 0 3 284.356 -1.048 20 0 CAADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000643576972 372777390 /nfs/dbraw/zinc/77/73/90/372777390.db2.gz VGDJPMYIUWZPEJ-NWDGAFQWSA-N 0 3 298.387 -1.683 20 0 CAADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000643576973 372777471 /nfs/dbraw/zinc/77/74/71/372777471.db2.gz VGDJPMYIUWZPEJ-RYUDHWBXSA-N 0 3 298.387 -1.683 20 0 CAADHN CO[C@H]1C[C@H](Nc2nc(NCCO)nc(NC(C)C)n2)C1 ZINC000624730580 372781086 /nfs/dbraw/zinc/78/10/86/372781086.db2.gz ISFRRUSARZMLQI-MGCOHNPYSA-N 0 3 296.375 -1.049 20 0 CAADHN CC[C@@H](O)CN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533382114 372783087 /nfs/dbraw/zinc/78/30/87/372783087.db2.gz BBGSFXNRMHVFFS-IJLUTSLNSA-N 0 3 292.401 -1.155 20 0 CAADHN COC[C@]1(C)CN(c2nc(N)nc(N)n2)CCO1 ZINC000624778760 372784001 /nfs/dbraw/zinc/78/40/01/372784001.db2.gz YSWVAYSUJGAQDA-JTQLQIEISA-N 0 3 254.294 -1.062 20 0 CAADHN Nc1nc(N)nc(N[C@H]2CCN(C3CCC3)C2=O)n1 ZINC000624783970 372784135 /nfs/dbraw/zinc/78/41/35/372784135.db2.gz LLQXYDMQEBISNO-ZETCQYMHSA-N 0 3 263.305 -1.316 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)NCCNS(C)(=O)=O ZINC000139512802 372784470 /nfs/dbraw/zinc/78/44/70/372784470.db2.gz ALGVPXTXUJZZGC-SECBINFHSA-N 0 3 278.378 -1.071 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCN2C(=O)CNC2=O)C1 ZINC000553126697 372820271 /nfs/dbraw/zinc/82/02/71/372820271.db2.gz QOIHUFSRQZPZCW-VIFPVBQESA-N 0 3 268.317 -1.004 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)C(=O)NC1CNC1 ZINC000642758444 372820797 /nfs/dbraw/zinc/82/07/97/372820797.db2.gz NHTCIDNDSMCFCC-NSHDSACASA-N 0 3 284.360 -1.699 20 0 CAADHN CN(C)C(=O)CN(C)C(=O)CN1CCCC[C@H](N)C1=O ZINC000643620364 372822040 /nfs/dbraw/zinc/82/20/40/372822040.db2.gz WRUWRPXRGQCOLD-JTQLQIEISA-N 0 3 284.360 -1.127 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCNCC2)CC1 ZINC000037800611 372799637 /nfs/dbraw/zinc/79/96/37/372799637.db2.gz IQHBVKBVOJVMBI-UHFFFAOYSA-N 0 3 297.403 -1.876 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CN1CCCNC1=O ZINC000533569529 372800083 /nfs/dbraw/zinc/80/00/83/372800083.db2.gz DMKRJTINRXKTMS-GFCCVEGCSA-N 0 3 272.349 -1.170 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC(NS(C)(=O)=O)C1 ZINC000634650387 372802262 /nfs/dbraw/zinc/80/22/62/372802262.db2.gz KIOMPRAIEIZQKM-NSHDSACASA-N 0 3 295.405 -1.841 20 0 CAADHN CN1C[C@@H]2CCCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)[C@@H]2C1 ZINC000616419285 372825808 /nfs/dbraw/zinc/82/58/08/372825808.db2.gz GLMCAJJWOWPYNX-BTXBGFNFSA-N 0 3 296.367 -1.048 20 0 CAADHN O[C@H](CNC[C@@H](O)C(F)F)CN1CCOCC1 ZINC000236537667 372804587 /nfs/dbraw/zinc/80/45/87/372804587.db2.gz KTJCYWYZOBWUIB-RKDXNWHRSA-N 0 3 254.277 -1.105 20 0 CAADHN CN1CCC[C@@H](CNC(=O)CN2CCNCC2=O)C1 ZINC000237115450 372805366 /nfs/dbraw/zinc/80/53/66/372805366.db2.gz WYEGZFVVDXATNV-NSHDSACASA-N 0 3 268.361 -1.124 20 0 CAADHN CN1CCN(C(=O)CN2CCCC2=O)[C@@H](CN)C1 ZINC000120771451 372805482 /nfs/dbraw/zinc/80/54/82/372805482.db2.gz WRMALZLSKHXOAZ-JTQLQIEISA-N 0 3 254.334 -1.290 20 0 CAADHN O[C@H](CNC[C@H](O)C(F)F)CN1CCOCC1 ZINC000236542013 372806032 /nfs/dbraw/zinc/80/60/32/372806032.db2.gz KTJCYWYZOBWUIB-BDAKNGLRSA-N 0 3 254.277 -1.105 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC2CNC2)CN1C1CC1 ZINC000642718073 372807147 /nfs/dbraw/zinc/80/71/47/372807147.db2.gz AQDQRJQRZLTVSS-BDAKNGLRSA-N 0 3 266.345 -1.184 20 0 CAADHN C[C@@H](C(=O)N1CCN(C)C[C@@H]1CN)n1cncn1 ZINC000122595353 372807553 /nfs/dbraw/zinc/80/75/53/372807553.db2.gz KVRISJBADGWRIV-UWVGGRQHSA-N 0 3 252.322 -1.060 20 0 CAADHN Cn1cnc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)c1 ZINC000122689203 372807767 /nfs/dbraw/zinc/80/77/67/372807767.db2.gz IIEJQGYKWYUCMQ-VIFPVBQESA-N 0 3 273.362 -1.317 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)C(=O)NC2CNC2)CN1C1CC1 ZINC000642718074 372807939 /nfs/dbraw/zinc/80/79/39/372807939.db2.gz AQDQRJQRZLTVSS-DTWKUNHWSA-N 0 3 266.345 -1.184 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)C2(N)CCC2)CC1 ZINC000147859112 372807994 /nfs/dbraw/zinc/80/79/94/372807994.db2.gz DVTSRVXHAXOCJC-UHFFFAOYSA-N 0 3 261.347 -1.028 20 0 CAADHN Cn1nccc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000129905552 372809344 /nfs/dbraw/zinc/80/93/44/372809344.db2.gz YCQVOZOKULQJDC-VIFPVBQESA-N 0 3 273.362 -1.317 20 0 CAADHN COC(=O)CCN(C)S(=O)(=O)N1CCNCC1 ZINC000042551976 372826204 /nfs/dbraw/zinc/82/62/04/372826204.db2.gz HVJROEDVXOUSHK-UHFFFAOYSA-N 0 3 265.335 -1.369 20 0 CAADHN NCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000019687562 372812859 /nfs/dbraw/zinc/81/28/59/372812859.db2.gz VADRJDWVLLGOLO-UHFFFAOYSA-N 0 3 254.334 -1.288 20 0 CAADHN CCn1nncc1CNC(=O)C(=O)N(C)CCN(C)C ZINC000625384389 372818718 /nfs/dbraw/zinc/81/87/18/372818718.db2.gz SMTDLVLCFLQETP-UHFFFAOYSA-N 0 3 282.348 -1.066 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1=O ZINC000616519832 372830034 /nfs/dbraw/zinc/83/00/34/372830034.db2.gz WPAMDBRJHOOFFU-SNVBAGLBSA-N 0 3 297.359 -1.758 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CC(=O)N2)CC1=O ZINC000616519899 372830119 /nfs/dbraw/zinc/83/01/19/372830119.db2.gz YGLDFZPVRIQUAJ-VIFPVBQESA-N 0 3 268.317 -1.893 20 0 CAADHN CN(C)CCN1CCN(C(=O)C[C@@H]2CC(=O)N2)CC1=O ZINC000616519801 372830292 /nfs/dbraw/zinc/83/02/92/372830292.db2.gz VRHWMLAVIUDLJP-JTQLQIEISA-N 0 3 282.344 -1.503 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H](O)C2CC2)CC1=O ZINC000616519005 372830529 /nfs/dbraw/zinc/83/05/29/372830529.db2.gz CIHYUUWMNIODKB-GFCCVEGCSA-N 0 3 269.345 -1.010 20 0 CAADHN CNC(=O)[C@H]1CN(S(=O)(=O)CCCN(C)C)CCO1 ZINC000632196706 372835202 /nfs/dbraw/zinc/83/52/02/372835202.db2.gz AUPJIKNAMIDLON-SNVBAGLBSA-N 0 3 293.389 -1.285 20 0 CAADHN CN1C[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)NC1=O ZINC000616703050 372836270 /nfs/dbraw/zinc/83/62/70/372836270.db2.gz NXDSJUQKWQPPHP-AEJSXWLSSA-N 0 3 268.317 -1.713 20 0 CAADHN COC[C@@H](OC)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000616702929 372836286 /nfs/dbraw/zinc/83/62/86/372836286.db2.gz KAEZDUUZVWBXHJ-HBNTYKKESA-N 0 3 258.318 -1.075 20 0 CAADHN CN1CCN(C(=O)CN2CC(=O)[N-]C2=O)[C@@H](C[NH3+])C1 ZINC000565536749 372836330 /nfs/dbraw/zinc/83/63/30/372836330.db2.gz FKRLPWFXSPHOKH-QMMMGPOBSA-N 0 3 269.305 -2.361 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN2CCOC[C@@H]2C1 ZINC000568166860 372836413 /nfs/dbraw/zinc/83/64/13/372836413.db2.gz VTBMVEOCNBZOBS-UONOGXRCSA-N 0 3 287.404 -1.058 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN2CCOC[C@H]2C1 ZINC000568166861 372836549 /nfs/dbraw/zinc/83/65/49/372836549.db2.gz VTBMVEOCNBZOBS-ZIAGYGMSSA-N 0 3 287.404 -1.058 20 0 CAADHN CN1CCN(C(=O)CN2CC(=O)[N-]C2=O)[C@H](C[NH3+])C1 ZINC000565536741 372836829 /nfs/dbraw/zinc/83/68/29/372836829.db2.gz FKRLPWFXSPHOKH-MRVPVSSYSA-N 0 3 269.305 -2.361 20 0 CAADHN COCCOCCN1CCN(c2nc(N)nc(N)n2)CC1 ZINC000624354941 372855112 /nfs/dbraw/zinc/85/51/12/372855112.db2.gz WTDSTCNGPRQJRU-UHFFFAOYSA-N 0 3 297.363 -1.518 20 0 CAADHN Nc1nc(N)nc(N2CCN(Cc3nc[nH]n3)CC2)n1 ZINC000624352368 372855168 /nfs/dbraw/zinc/85/51/68/372855168.db2.gz VEYSZKRQCXYIKU-UHFFFAOYSA-N 0 3 276.308 -1.863 20 0 CAADHN Nc1nc(N2CCN(Cc3nnc[n-]3)CC2)nc(N)[nH+]1 ZINC000624352368 372855171 /nfs/dbraw/zinc/85/51/71/372855171.db2.gz VEYSZKRQCXYIKU-UHFFFAOYSA-N 0 3 276.308 -1.863 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)CN1CCCC[C@H](N)C1=O ZINC000643667923 372838340 /nfs/dbraw/zinc/83/83/40/372838340.db2.gz VBPHKAUBYKCVGP-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN CNC(=O)NC(=O)CCN1CC[C@@H]2OCCN[C@H]2C1 ZINC000404222993 372838458 /nfs/dbraw/zinc/83/84/58/372838458.db2.gz LZMRCNFDKATXKY-UWVGGRQHSA-N 0 3 270.333 -1.105 20 0 CAADHN CNC(=O)NC(=O)CCN1CC[C@H]2OCCN[C@H]2C1 ZINC000404222994 372838793 /nfs/dbraw/zinc/83/87/93/372838793.db2.gz LZMRCNFDKATXKY-VHSXEESVSA-N 0 3 270.333 -1.105 20 0 CAADHN CNC(=O)CN1CCN(C(=O)CNC[C@@H]2CCCO2)CC1 ZINC000556814084 372840790 /nfs/dbraw/zinc/84/07/90/372840790.db2.gz FKPTZFDDECWKTM-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN Nc1nc(N)nc(NCc2cc3n(n2)CCCO3)n1 ZINC000624363097 372855377 /nfs/dbraw/zinc/85/53/77/372855377.db2.gz QJVKUXNYQXOWKO-UHFFFAOYSA-N 0 3 262.277 -1.290 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@]2(O)CN3CCC2CC3)C1 ZINC000556852409 372843052 /nfs/dbraw/zinc/84/30/52/372843052.db2.gz CYLYEEYGSRFBMX-JSGCOSHPSA-N 0 3 283.372 -1.110 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@@]2(O)CN3CCC2CC3)C1 ZINC000556852408 372844139 /nfs/dbraw/zinc/84/41/39/372844139.db2.gz CYLYEEYGSRFBMX-GXTWGEPZSA-N 0 3 283.372 -1.110 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@@]2(O)CN3CCC2CC3)C1 ZINC000556852411 372844533 /nfs/dbraw/zinc/84/45/33/372844533.db2.gz CYLYEEYGSRFBMX-TZMCWYRMSA-N 0 3 283.372 -1.110 20 0 CAADHN CO[C@@]1(C(=O)N[C@@H](C)C(=O)NCCN(C)C)CCOC1 ZINC000556904850 372844643 /nfs/dbraw/zinc/84/46/43/372844643.db2.gz MYQSNISKURDRNX-GWCFXTLKSA-N 0 3 287.360 -1.026 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@]2(O)CN3CCC2CC3)C1 ZINC000556852410 372844770 /nfs/dbraw/zinc/84/47/70/372844770.db2.gz CYLYEEYGSRFBMX-OCCSQVGLSA-N 0 3 283.372 -1.110 20 0 CAADHN COC[C@H](C)S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000124988269 372844874 /nfs/dbraw/zinc/84/48/74/372844874.db2.gz AWHRLDODLPHVCU-UWVGGRQHSA-N 0 3 265.379 -1.074 20 0 CAADHN CO[C@@]1(C(=O)N[C@H](C)C(=O)NCCN(C)C)CCOC1 ZINC000556904864 372844955 /nfs/dbraw/zinc/84/49/55/372844955.db2.gz MYQSNISKURDRNX-MFKMUULPSA-N 0 3 287.360 -1.026 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)[C@H]3CCCO3)CCN2C1=O ZINC000568268040 372847410 /nfs/dbraw/zinc/84/74/10/372847410.db2.gz QKEFHBCZZLGYRC-KXUCPTDWSA-N 0 3 253.302 -1.064 20 0 CAADHN O=C(CNC(=O)N1CCN(C2CC2)CC1)N1CCNCC1 ZINC000557205790 372850311 /nfs/dbraw/zinc/85/03/11/372850311.db2.gz FCUXGSCBGJUKAQ-UHFFFAOYSA-N 0 3 295.387 -1.092 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCO[C@@H](C(=O)OC)C1 ZINC000312922464 372850654 /nfs/dbraw/zinc/85/06/54/372850654.db2.gz MOUYHXLBWMJRNJ-NWDGAFQWSA-N 0 3 290.360 -1.201 20 0 CAADHN Cc1ncc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)n1C ZINC000624357278 372855764 /nfs/dbraw/zinc/85/57/64/372855764.db2.gz MEKMSZQJUDHDCT-JTQLQIEISA-N 0 3 287.389 -1.008 20 0 CAADHN Nc1nc(N)nc(NCC2(CO)CCOCC2)n1 ZINC000624057834 372852439 /nfs/dbraw/zinc/85/24/39/372852439.db2.gz ZUCMSGRTVJUIJJ-UHFFFAOYSA-N 0 3 254.294 -1.680 20 0 CAADHN C[C@@](O)(C[C@H](O)CNCCN1CCNC(=O)C1)C1CC1 ZINC000634710791 372852979 /nfs/dbraw/zinc/85/29/79/372852979.db2.gz DZIQFVGKZNOQQC-GXTWGEPZSA-N 0 3 285.388 -1.080 20 0 CAADHN Cc1ncc(S(=O)(=O)N2CCN(C)C[C@H]2CN)n1C ZINC000624357279 372855893 /nfs/dbraw/zinc/85/58/93/372855893.db2.gz MEKMSZQJUDHDCT-SNVBAGLBSA-N 0 3 287.389 -1.008 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC(=O)N1 ZINC000616478584 372827909 /nfs/dbraw/zinc/82/79/09/372827909.db2.gz WMXPOJZPKFEYOM-DTWKUNHWSA-N 0 3 268.317 -1.547 20 0 CAADHN C[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)N(C)C ZINC000616489045 372827917 /nfs/dbraw/zinc/82/79/17/372827917.db2.gz KBWLQYNMVAHXJS-QMMMGPOBSA-N 0 3 266.367 -1.551 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@@H]1CC(=O)N1 ZINC000616478389 372828055 /nfs/dbraw/zinc/82/80/55/372828055.db2.gz QXTGXRLWSJQYKS-ZJUUUORDSA-N 0 3 282.344 -1.157 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000643644259 372828076 /nfs/dbraw/zinc/82/80/76/372828076.db2.gz DVVNLENUZKJDKX-VHSXEESVSA-N 0 3 280.328 -1.717 20 0 CAADHN C[C@@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)N(C)C ZINC000616488922 372828884 /nfs/dbraw/zinc/82/88/84/372828884.db2.gz DBSQYSVEVPEPLV-VIFPVBQESA-N 0 3 280.394 -1.209 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1cnnn1C ZINC000616478531 372828919 /nfs/dbraw/zinc/82/89/19/372828919.db2.gz VETPQHIGEIIKAG-SNVBAGLBSA-N 0 3 294.359 -1.064 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000616478198 372829070 /nfs/dbraw/zinc/82/90/70/372829070.db2.gz MSUROSLHKIXRIK-UWVGGRQHSA-N 0 3 297.359 -1.412 20 0 CAADHN COCCOCCN(CCO)c1nc(N)nc(N)n1 ZINC000624516669 372865036 /nfs/dbraw/zinc/86/50/36/372865036.db2.gz IGIKGVDACCGICA-UHFFFAOYSA-N 0 3 272.309 -1.842 20 0 CAADHN CC(C)[C@H](N)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000574414429 335018076 /nfs/dbraw/zinc/01/80/76/335018076.db2.gz RIOYHDZNIDMRTB-UTLUCORTSA-N 0 3 254.334 -1.260 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H](CN2C[C@H](O)[C@@H](O)C2)C1 ZINC000625722539 372871335 /nfs/dbraw/zinc/87/13/35/372871335.db2.gz OULHKVOGIYCQRO-DCAQKATOSA-N 0 3 278.374 -1.305 20 0 CAADHN COC(=O)C[C@H](O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000600463598 372875783 /nfs/dbraw/zinc/87/57/83/372875783.db2.gz MOIMEROHOCUXOV-WDEREUQCSA-N 0 3 285.344 -1.584 20 0 CAADHN CC[C@@H](N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000130290600 372876247 /nfs/dbraw/zinc/87/62/47/372876247.db2.gz GEHUPYKOFFVEND-GFCCVEGCSA-N 0 3 298.387 -1.273 20 0 CAADHN Cn1nnc2c1CC[C@@H](Nc1nc(N)nc(N)n1)C2 ZINC000624374571 372857516 /nfs/dbraw/zinc/85/75/16/372857516.db2.gz UJMSYRWYLLYABE-RXMQYKEDSA-N 0 3 261.293 -1.783 20 0 CAADHN CS(=O)(=O)CC1(CCNc2nc(N)nc(N)n2)CC1 ZINC000624386064 372857732 /nfs/dbraw/zinc/85/77/32/372857732.db2.gz YYWQIDQGIDESEK-UHFFFAOYSA-N 0 3 286.361 -1.255 20 0 CAADHN C[C@@H]1CO[C@@H](C)CN1CCNc1nc(N)nc(N)n1 ZINC000624392522 372858121 /nfs/dbraw/zinc/85/81/21/372858121.db2.gz SUDPGBGWBQWLGZ-SFYZADRCSA-N 0 3 267.337 -1.360 20 0 CAADHN Nc1nc(N)nc(N2CC[C@H](Cn3ccnn3)C2)n1 ZINC000624385470 372858208 /nfs/dbraw/zinc/85/82/08/372858208.db2.gz DUTFVMRUDZQRBU-ZETCQYMHSA-N 0 3 261.293 -1.185 20 0 CAADHN CCS(=O)(=O)C1(CNc2nc(N)nc(N)n2)CC1 ZINC000624408484 372858595 /nfs/dbraw/zinc/85/85/95/372858595.db2.gz VLYMOVWORZADAH-UHFFFAOYSA-N 0 3 272.334 -1.502 20 0 CAADHN Nc1nc(N)nc(N2CCN(S(=O)(=O)C3CC3)CC2)n1 ZINC000624495067 372861933 /nfs/dbraw/zinc/86/19/33/372861933.db2.gz NJOSYZGUMVHZSA-UHFFFAOYSA-N 0 3 299.360 -1.689 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410453630 372890332 /nfs/dbraw/zinc/89/03/32/372890332.db2.gz SEVGCKNXHVTZNX-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1CCS(=O)(=O)N(C)C ZINC000600712612 372891939 /nfs/dbraw/zinc/89/19/39/372891939.db2.gz YVJVWQFSDFHCIA-JTQLQIEISA-N 0 3 293.389 -1.285 20 0 CAADHN CN(C)CCN1C(=O)C[C@H](N2CCn3cnnc3C2)C1=O ZINC000600796623 372895021 /nfs/dbraw/zinc/89/50/21/372895021.db2.gz NVISTSDWVVIYGU-JTQLQIEISA-N 0 3 292.343 -1.217 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N(C)CCN)C[C@H]1CO ZINC000622031544 372881717 /nfs/dbraw/zinc/88/17/17/372881717.db2.gz PEVMMYKEACVPOG-ZJUUUORDSA-N 0 3 257.334 -1.120 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCC[C@H]1C(N)=O ZINC000625869769 372883962 /nfs/dbraw/zinc/88/39/62/372883962.db2.gz GYXNZWQGOVKWGT-MNOVXSKESA-N 0 3 259.350 -1.125 20 0 CAADHN COCCN1CCCN(C(=O)C(=O)NC2CNC2)CC1=O ZINC000518501236 372884418 /nfs/dbraw/zinc/88/44/18/372884418.db2.gz GRKWMUXBGONDSS-UHFFFAOYSA-N 0 3 298.343 -2.218 20 0 CAADHN CCOCCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000518500721 372884689 /nfs/dbraw/zinc/88/46/89/372884689.db2.gz UFCUBJCHBXAJQY-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623854123 372901274 /nfs/dbraw/zinc/90/12/74/372901274.db2.gz SVOBXIWZPGSUOR-ZCFIWIBFSA-N 0 3 287.349 -1.785 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634767586 372887567 /nfs/dbraw/zinc/88/75/67/372887567.db2.gz CTILQUCYCOICMA-PELKAZGASA-N 0 3 266.301 -1.204 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)CO1 ZINC000566236357 372905239 /nfs/dbraw/zinc/90/52/39/372905239.db2.gz CKSQZWMXBXEKFB-OUAUKWLOSA-N 0 3 284.360 -1.619 20 0 CAADHN CN(C)C(=O)[C@H]1CC[C@H](CNc2nc(N)nc(N)n2)O1 ZINC000624084911 372905857 /nfs/dbraw/zinc/90/58/57/372905857.db2.gz XDPZHAUSLRZLOW-RNFRBKRXSA-N 0 3 281.320 -1.834 20 0 CAADHN CN1CCN(C(=O)CCN2C[C@@H](O)C[C@@H]2CO)CC1 ZINC000338282418 372906601 /nfs/dbraw/zinc/90/66/01/372906601.db2.gz HUZLCWAOZBDPIX-NEPJUHHUSA-N 0 3 271.361 -1.422 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CO1 ZINC000566236356 372906685 /nfs/dbraw/zinc/90/66/85/372906685.db2.gz CKSQZWMXBXEKFB-MXWKQRLJSA-N 0 3 284.360 -1.619 20 0 CAADHN CN1CCC(NC(=O)NCCNS(C)(=O)=O)CC1 ZINC000047886358 372908070 /nfs/dbraw/zinc/90/80/70/372908070.db2.gz FUIXJINFJBYGNL-UHFFFAOYSA-N 0 3 278.378 -1.071 20 0 CAADHN CCO[C@@H]1C[C@@H](Nc2nc(N)nc(N)n2)[C@H]1OC ZINC000624101980 372908969 /nfs/dbraw/zinc/90/89/69/372908969.db2.gz HFCIIOGAKXMJNN-FSDSQADBSA-N 0 3 254.294 -1.277 20 0 CAADHN O=C(CN1CCNCC1)N1CCN(C(=O)C2CC2)CC1 ZINC000037805277 372910174 /nfs/dbraw/zinc/91/01/74/372910174.db2.gz AHTRRDZHZBXLNC-UHFFFAOYSA-N 0 3 280.372 -1.028 20 0 CAADHN CN1CCO[C@H](CNC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC000643775729 372911515 /nfs/dbraw/zinc/91/15/15/372911515.db2.gz BMOXAKPYUXKARX-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN CNCC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000237191594 372912621 /nfs/dbraw/zinc/91/26/21/372912621.db2.gz QAJPTSCWTKESQC-UHFFFAOYSA-N 0 3 256.350 -1.125 20 0 CAADHN CNCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000237200570 372914217 /nfs/dbraw/zinc/91/42/17/372914217.db2.gz RKXMEMJOSSPMDS-UHFFFAOYSA-N 0 3 284.360 -1.791 20 0 CAADHN CN(Cc1cc(=O)n(C)c(=O)n1C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037277 372916473 /nfs/dbraw/zinc/91/64/73/372916473.db2.gz HITJINGVYUNQNT-DTORHVGOSA-N 0 3 280.328 -1.220 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCO[C@@H](CC(N)=O)C1 ZINC000626075957 372917604 /nfs/dbraw/zinc/91/76/04/372917604.db2.gz ALHZTMBRKAONPN-NEPJUHHUSA-N 0 3 289.376 -1.498 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CC(N)=O)CC1 ZINC000408350681 372923218 /nfs/dbraw/zinc/92/32/18/372923218.db2.gz UQCKJWZDJZDYML-SNVBAGLBSA-N 0 3 282.344 -1.373 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)C(=O)NC2CNC2)CC1=O ZINC000562827846 372952144 /nfs/dbraw/zinc/95/21/44/372952144.db2.gz AXMQYTYGONSTEG-QMMMGPOBSA-N 0 3 268.317 -1.800 20 0 CAADHN CO[C@@H]1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000562827983 372952459 /nfs/dbraw/zinc/95/24/59/372952459.db2.gz JRUKRAIJAOQQLW-QJPTWQEYSA-N 0 3 298.387 -1.229 20 0 CAADHN CCN1CCC(NC(=O)CN2CCOC[C@@H]2C(N)=O)CC1 ZINC000092229574 372952760 /nfs/dbraw/zinc/95/27/60/372952760.db2.gz MEEDKTOXXOBQGD-GFCCVEGCSA-N 0 3 298.387 -1.227 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCO[C@@H](C2CC2)C1 ZINC000562828924 372952826 /nfs/dbraw/zinc/95/28/26/372952826.db2.gz QWTBDHVHOTYXIH-SNVBAGLBSA-N 0 3 253.302 -1.288 20 0 CAADHN CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000642924611 372925706 /nfs/dbraw/zinc/92/57/06/372925706.db2.gz UYOLBTYXLWHANP-SECBINFHSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H]1[C@H](CO)CCCN1C(=O)C(=O)NC1CNC1 ZINC000642925892 372925926 /nfs/dbraw/zinc/92/59/26/372925926.db2.gz IOYNWEINRRKQMN-IUCAKERBSA-N 0 3 255.318 -1.306 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN(C2CCC2)CC1 ZINC000642926351 372926230 /nfs/dbraw/zinc/92/62/30/372926230.db2.gz RSJAXSHJUJBNEP-UHFFFAOYSA-N 0 3 266.345 -1.229 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC000642925879 372926377 /nfs/dbraw/zinc/92/63/77/372926377.db2.gz GOFOPFPHVFMGIS-SCZZXKLOSA-N 0 3 253.302 -1.288 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000642926280 372926431 /nfs/dbraw/zinc/92/64/31/372926431.db2.gz AEAOQTHDYSCSBW-LBPRGKRZSA-N 0 3 296.371 -1.602 20 0 CAADHN O=C(NCCN1CCSCC1)C(=O)NC1CNC1 ZINC000642924137 372926586 /nfs/dbraw/zinc/92/65/86/372926586.db2.gz ZUCQAIAGTCWZBI-UHFFFAOYSA-N 0 3 272.374 -1.761 20 0 CAADHN Cc1c(S(=O)(=O)NC[C@H]2CNCCO2)cnn1C ZINC000310987939 372927319 /nfs/dbraw/zinc/92/73/19/372927319.db2.gz KUFNVNDKYQAFAV-SECBINFHSA-N 0 3 274.346 -1.005 20 0 CAADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000643791632 372930098 /nfs/dbraw/zinc/93/00/98/372930098.db2.gz HIGJXJASFUIAIR-YIZRAAEISA-N 0 3 261.347 -1.126 20 0 CAADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000643791631 372930135 /nfs/dbraw/zinc/93/01/35/372930135.db2.gz HIGJXJASFUIAIR-HLTSFMKQSA-N 0 3 261.347 -1.126 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN(C2CC2)CC1 ZINC000562827693 372953121 /nfs/dbraw/zinc/95/31/21/372953121.db2.gz RSGKWVVTCHFROF-UHFFFAOYSA-N 0 3 252.318 -1.619 20 0 CAADHN C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)N1CCCC1 ZINC000080046829 372932708 /nfs/dbraw/zinc/93/27/08/372932708.db2.gz JOKWALPYBIEMSJ-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)N1CCCC1 ZINC000080046825 372933865 /nfs/dbraw/zinc/93/38/65/372933865.db2.gz JOKWALPYBIEMSJ-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN O=C([C@@H]1CNCCOC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000643799490 372934957 /nfs/dbraw/zinc/93/49/57/372934957.db2.gz VJWLYVKFZPKROD-GMTAPVOTSA-N 0 3 267.329 -1.041 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000226568411 372935950 /nfs/dbraw/zinc/93/59/50/372935950.db2.gz ZXQDHQIHKCXEDR-XHNCKOQMSA-N 0 3 276.362 -1.635 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCCN2CCO)O1 ZINC000627574473 372936240 /nfs/dbraw/zinc/93/62/40/372936240.db2.gz GUHYUKDNZUCKMP-GRYCIOLGSA-N 0 3 299.371 -1.018 20 0 CAADHN CN1CC[C@](N)(C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)C1 ZINC000643799509 372936406 /nfs/dbraw/zinc/93/64/06/372936406.db2.gz WULWQFPHNLJCSE-GIPNMCIBSA-N 0 3 266.345 -1.244 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(C)S(C)(=O)=O ZINC000408440374 372941633 /nfs/dbraw/zinc/94/16/33/372941633.db2.gz BERWKXJADXWRDW-CIUDSAMLSA-N 0 3 293.341 -1.056 20 0 CAADHN NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000635496616 372947213 /nfs/dbraw/zinc/94/72/13/372947213.db2.gz GQOKEADCODLMSG-UHFFFAOYSA-N 0 3 268.317 -1.762 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CN1CSCC1=O ZINC000228750837 372947332 /nfs/dbraw/zinc/94/73/32/372947332.db2.gz YWMHYPBJQVCHID-LLVKDONJSA-N 0 3 275.374 -1.052 20 0 CAADHN CN(C)[C@H]1CN(C[C@H](O)Cn2cccn2)C[C@@H]1O ZINC000562477600 372947457 /nfs/dbraw/zinc/94/74/57/372947457.db2.gz DZMWOFDGTMOMPU-SRVKXCTJSA-N 0 3 254.334 -1.149 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CCN(C)C1=O ZINC000618307874 372959045 /nfs/dbraw/zinc/95/90/45/372959045.db2.gz XHASWMNNCWHWSO-NSHDSACASA-N 0 3 298.387 -1.057 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CNC(N)=O ZINC000618302164 372959472 /nfs/dbraw/zinc/95/94/72/372959472.db2.gz HTADUXLVULUKQD-UHFFFAOYSA-N 0 3 273.337 -1.867 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cn1cncn1 ZINC000618303258 372960301 /nfs/dbraw/zinc/96/03/01/372960301.db2.gz BDHJIIBFWQZPPJ-UHFFFAOYSA-N 0 3 282.348 -1.244 20 0 CAADHN CC(=O)N1CC(C(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC000618307661 372960369 /nfs/dbraw/zinc/96/03/69/372960369.db2.gz NTDQRZTWXIPRHV-UHFFFAOYSA-N 0 3 298.387 -1.057 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@@]1(C)CCNC1=O ZINC000635726737 372966059 /nfs/dbraw/zinc/96/60/59/372966059.db2.gz DXFMYSGZBWTMOL-NEPJUHHUSA-N 0 3 257.334 -1.059 20 0 CAADHN O=C([C@@H]1CN2CCC[C@@H]2CO1)N1C[C@H](O)C[C@H]1CO ZINC000635743538 372969501 /nfs/dbraw/zinc/96/95/01/372969501.db2.gz PXFPXAUTYZYALA-KXNHARMFSA-N 0 3 270.329 -1.196 20 0 CAADHN COCCOCCN(C)CCC(=O)N[C@@H]1CNC(=O)C1 ZINC000635774252 372969793 /nfs/dbraw/zinc/96/97/93/372969793.db2.gz BPAJMNRCBCYZQM-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CCN(CCO)CCNC(=O)c1cc(=O)n(C)cn1 ZINC000635810176 372971927 /nfs/dbraw/zinc/97/19/27/372971927.db2.gz UBKAPDIJBGIVNZ-UHFFFAOYSA-N 0 3 268.317 -1.176 20 0 CAADHN C[C@@H]1CN(C)C[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)O1 ZINC000635947899 372976394 /nfs/dbraw/zinc/97/63/94/372976394.db2.gz DSEAGJIYZPCXIA-RHYQMDGZSA-N 0 3 271.361 -1.161 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cc(=O)n(C)cn1 ZINC000635929173 372976977 /nfs/dbraw/zinc/97/69/77/372976977.db2.gz RNXDTXBIAASZLG-QMMMGPOBSA-N 0 3 254.290 -1.567 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1O ZINC000635949015 372977148 /nfs/dbraw/zinc/97/71/48/372977148.db2.gz YCEXBJLIGAAAGM-AUTRQRHGSA-N 0 3 255.318 -1.354 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@]1(C)CCN(C)C1=O ZINC000635929852 372977160 /nfs/dbraw/zinc/97/71/60/372977160.db2.gz YGNIHKAFXIIJPU-JOYOIKCWSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@H]1CN(C)C[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)O1 ZINC000635947898 372977539 /nfs/dbraw/zinc/97/75/39/372977539.db2.gz DSEAGJIYZPCXIA-FIQHERPVSA-N 0 3 271.361 -1.161 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@]1(C)CCN(C)C1=O ZINC000635929849 372977823 /nfs/dbraw/zinc/97/78/23/372977823.db2.gz YGNIHKAFXIIJPU-BXKDBHETSA-N 0 3 257.334 -1.107 20 0 CAADHN COCCOCCN(C)CCC(=O)N[C@@H]1COC[C@H]1O ZINC000635993758 372980488 /nfs/dbraw/zinc/98/04/88/372980488.db2.gz FXRIUVOLZHJSAN-VXGBXAGGSA-N 0 3 290.360 -1.153 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC(=O)N1 ZINC000618299792 372957613 /nfs/dbraw/zinc/95/76/13/372957613.db2.gz AEOQUIDEYVUOPH-VIFPVBQESA-N 0 3 270.333 -1.647 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CCNC1=O ZINC000618300649 372957636 /nfs/dbraw/zinc/95/76/36/372957636.db2.gz ZNSHVBLYQDWYEE-JTQLQIEISA-N 0 3 284.360 -1.399 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC(=O)N1 ZINC000618299791 372957788 /nfs/dbraw/zinc/95/77/88/372957788.db2.gz AEOQUIDEYVUOPH-SECBINFHSA-N 0 3 270.333 -1.647 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@]2(C)CCNC2=O)CC1=O ZINC000636118963 372993749 /nfs/dbraw/zinc/99/37/49/372993749.db2.gz GQTRFUITECYSAG-AWEZNQCLSA-N 0 3 296.371 -1.255 20 0 CAADHN O=C(NC[C@@]1(O)CN2CCC1CC2)C1(CO)COC1 ZINC000570408423 372994891 /nfs/dbraw/zinc/99/48/91/372994891.db2.gz BKIULVKODYWCTR-CYBMUJFWSA-N 0 3 270.329 -1.432 20 0 CAADHN CC1(C)CN[C@@H]1C(=O)NCCN1C(=O)CNC1=O ZINC000643984134 372995435 /nfs/dbraw/zinc/99/54/35/372995435.db2.gz XYMZJFKQWYJWGJ-MRVPVSSYSA-N 0 3 254.290 -1.348 20 0 CAADHN O=C(N[C@H]1CCNC1=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000636170572 372995663 /nfs/dbraw/zinc/99/56/63/372995663.db2.gz RACGGGLSXWYGIN-GUBZILKMSA-N 0 3 253.302 -1.146 20 0 CAADHN COC[C@@H]1CN(C(=O)C(=O)NC2CNC2)C[C@H](C)O1 ZINC000574428518 335018944 /nfs/dbraw/zinc/01/89/44/335018944.db2.gz WMBLYULGDJNAKT-WPRPVWTQSA-N 0 3 271.317 -1.663 20 0 CAADHN C[C@H]1CN(C(=O)COC2CNC2)CCN1S(C)(=O)=O ZINC000570448528 372996058 /nfs/dbraw/zinc/99/60/58/372996058.db2.gz HKFDEXMEVJRUQR-VIFPVBQESA-N 0 3 291.373 -1.533 20 0 CAADHN CN1CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1=O ZINC000570583391 372997627 /nfs/dbraw/zinc/99/76/27/372997627.db2.gz GIIRAXGYVXRZED-BBBLOLIVSA-N 0 3 295.343 -1.830 20 0 CAADHN COC[C@H]1CN(C(=O)C(=O)NC2CNC2)C[C@@H](C)O1 ZINC000574428515 335018979 /nfs/dbraw/zinc/01/89/79/335018979.db2.gz WMBLYULGDJNAKT-PSASIEDQSA-N 0 3 271.317 -1.663 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CSCN3)CCN2C1=O ZINC000570582596 372997663 /nfs/dbraw/zinc/99/76/63/372997663.db2.gz BBNVOFMAWCCWKU-IWSPIJDZSA-N 0 3 270.358 -1.581 20 0 CAADHN CS(=O)(=O)NCCNC(=O)[C@@H]1CNCCC1(F)F ZINC000644042429 372998477 /nfs/dbraw/zinc/99/84/77/372998477.db2.gz UYJFPLQRCNXGCI-ZETCQYMHSA-N 0 3 285.316 -1.103 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H](O)Cc2cnn(C)c2)C[C@@H]1O ZINC000570654258 372999377 /nfs/dbraw/zinc/99/93/77/372999377.db2.gz XQNUHEOJKMMKOF-TUAOUCFPSA-N 0 3 282.344 -1.543 20 0 CAADHN COC[C@H]1CN(C(=O)C(=O)NC2CNC2)C[C@H](C)O1 ZINC000574428517 335019038 /nfs/dbraw/zinc/01/90/38/335019038.db2.gz WMBLYULGDJNAKT-WCBMZHEXSA-N 0 3 271.317 -1.663 20 0 CAADHN CN1CCN(C(=O)NCC(F)(F)CN)[C@H](CN)C1 ZINC000574426982 335019103 /nfs/dbraw/zinc/01/91/03/335019103.db2.gz VUQYGKUDEQSYLV-MRVPVSSYSA-N 0 3 265.308 -1.135 20 0 CAADHN C[C@H]1CN(CCNC(=O)COC2CNC2)CCO1 ZINC000570804501 373001553 /nfs/dbraw/zinc/00/15/53/373001553.db2.gz XKYNSZZXHVHRLM-JTQLQIEISA-N 0 3 257.334 -1.188 20 0 CAADHN CCCNS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000570740038 373001660 /nfs/dbraw/zinc/00/16/60/373001660.db2.gz HPAPWGCHJZTFFG-DTWKUNHWSA-N 0 3 276.362 -1.525 20 0 CAADHN C[C@@H](NC(=O)[C@H]1COCCN1C)C(=O)NCCN(C)C ZINC000570824830 373001713 /nfs/dbraw/zinc/00/17/13/373001713.db2.gz VUKHVYXEEXCKRK-GHMZBOCLSA-N 0 3 286.376 -1.501 20 0 CAADHN CN1CCC[C@H](N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1=O ZINC000572781124 373001813 /nfs/dbraw/zinc/00/18/13/373001813.db2.gz CGEWTBTYBOTHLB-MXWKQRLJSA-N 0 3 266.345 -1.149 20 0 CAADHN CN1CCC[C@H](N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1=O ZINC000572781123 373001870 /nfs/dbraw/zinc/00/18/70/373001870.db2.gz CGEWTBTYBOTHLB-DCAQKATOSA-N 0 3 266.345 -1.149 20 0 CAADHN C[C@H](NC(=O)[C@@H]1COCCN1C)C(=O)NCCN(C)C ZINC000570824840 373002893 /nfs/dbraw/zinc/00/28/93/373002893.db2.gz VUKHVYXEEXCKRK-QWRGUYRKSA-N 0 3 286.376 -1.501 20 0 CAADHN NC(=O)[C@H](O)CNC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000574916894 373006715 /nfs/dbraw/zinc/00/67/15/373006715.db2.gz KGGUNWGYHQPBRO-PSASIEDQSA-N 0 3 298.295 -1.409 20 0 CAADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000574914481 373007571 /nfs/dbraw/zinc/00/75/71/373007571.db2.gz RMIOLLUSRJXRCJ-JTQLQIEISA-N 0 3 291.373 -1.485 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCN1 ZINC000575047340 373007622 /nfs/dbraw/zinc/00/76/22/373007622.db2.gz MWOUBIXVXUJKOK-HTQZYQBOSA-N 0 3 255.274 -1.762 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCN(C)CC[C@@H]1C ZINC000580088674 373009923 /nfs/dbraw/zinc/00/99/23/373009923.db2.gz BAKQPZWEAODXAK-VIFPVBQESA-N 0 3 278.378 -1.407 20 0 CAADHN CN[C@@H](C)C(=O)NCCn1cc(C(=O)OC)nn1 ZINC000570941845 373010454 /nfs/dbraw/zinc/01/04/54/373010454.db2.gz QOEFURLHDKHITG-ZETCQYMHSA-N 0 3 255.278 -1.211 20 0 CAADHN O=C(CNC[C@H]1CCCO1)NCC(=O)N1CCNCC1 ZINC000569802843 372983561 /nfs/dbraw/zinc/98/35/61/372983561.db2.gz NELGVNDSRPNENR-LLVKDONJSA-N 0 3 284.360 -1.697 20 0 CAADHN COCC[C@@H](C)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000569949432 372985699 /nfs/dbraw/zinc/98/56/99/372985699.db2.gz RYCXPUHIGGSRPA-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000574976261 373010713 /nfs/dbraw/zinc/01/07/13/373010713.db2.gz QUMGNIUXFNYTOU-SECBINFHSA-N 0 3 281.234 -1.400 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)[C@@H](CN)C1 ZINC000162539451 373010745 /nfs/dbraw/zinc/01/07/45/373010745.db2.gz WUQJYKJMAXBKPQ-MNOVXSKESA-N 0 3 268.361 -1.044 20 0 CAADHN CN1CCN(C(=O)Cn2ccccc2=O)[C@H](CN)C1 ZINC000570089381 372988582 /nfs/dbraw/zinc/98/85/82/372988582.db2.gz IEHBMCRRDFHOSK-LLVKDONJSA-N 0 3 264.329 -1.050 20 0 CAADHN N[C@H]1C[C@H]2CN(CC(=O)NCC3CC3)CCN2C1=O ZINC000570107453 372988713 /nfs/dbraw/zinc/98/87/13/372988713.db2.gz LDRINWQLFLFACW-QWRGUYRKSA-N 0 3 266.345 -1.244 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)C[C@@H]1COCCN1 ZINC000570157478 372988748 /nfs/dbraw/zinc/98/87/48/372988748.db2.gz DYKDMAHDOFMWSF-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN C[C@@H]1[C@H](N(C)CCO)CCN1CC(=O)N1CCNC1=O ZINC000569997199 372988876 /nfs/dbraw/zinc/98/88/76/372988876.db2.gz KBFOXDCNKYSGPV-GHMZBOCLSA-N 0 3 284.360 -1.075 20 0 CAADHN COC(=O)[C@]1(C)CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000580054734 373010859 /nfs/dbraw/zinc/01/08/59/373010859.db2.gz JAAHRHACCKGJTH-GFCCVEGCSA-N 0 3 269.301 -1.514 20 0 CAADHN CC[C@H](N)C(=O)NCCCn1c(=O)ccn(C)c1=O ZINC000570278013 372989906 /nfs/dbraw/zinc/98/99/06/372989906.db2.gz VYZFHSDNXKPWCD-VIFPVBQESA-N 0 3 268.317 -1.209 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H](N)CC(=O)OC ZINC000570206202 372990132 /nfs/dbraw/zinc/99/01/32/372990132.db2.gz DBRNDYMMKDCMRS-VIFPVBQESA-N 0 3 261.322 -1.429 20 0 CAADHN COCCN1CCN(C(=O)[C@@H](CN)OC)CC1=O ZINC000570273721 372990467 /nfs/dbraw/zinc/99/04/67/372990467.db2.gz MQKVBJIGVOFLMT-SECBINFHSA-N 0 3 259.306 -1.723 20 0 CAADHN CCN(C(=O)CNS(=O)(=O)NC)[C@H]1CCN(CC)C1 ZINC000617923681 372990914 /nfs/dbraw/zinc/99/09/14/372990914.db2.gz HQNAZTWMTUNNGO-JTQLQIEISA-N 0 3 292.405 -1.017 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000570174523 372991210 /nfs/dbraw/zinc/99/12/10/372991210.db2.gz CABGFDKTCPBTCW-SNVBAGLBSA-N 0 3 292.405 -1.160 20 0 CAADHN NCCN(CCO)C(=O)C(=O)NCCOCC1CCC1 ZINC000570188922 372991501 /nfs/dbraw/zinc/99/15/01/372991501.db2.gz YRJTZXKFLRENTQ-UHFFFAOYSA-N 0 3 287.360 -1.301 20 0 CAADHN COCCNCC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000580323429 373024968 /nfs/dbraw/zinc/02/49/68/373024968.db2.gz YGTGYLLCSVAJJQ-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CCOC(=O)C[C@H](CO)NC(=O)C(C)S(C)(=O)=O ZINC000590381415 373025030 /nfs/dbraw/zinc/02/50/30/373025030.db2.gz BHAGWRHKOSEUPN-JGVFFNPUSA-N 0 3 281.330 -1.150 20 0 CAADHN COCCN(C)CCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000042773905 373027240 /nfs/dbraw/zinc/02/72/40/373027240.db2.gz IMHMYBILWUGHSA-UHFFFAOYSA-N 0 3 298.343 -1.379 20 0 CAADHN COCCO[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624142676 373029756 /nfs/dbraw/zinc/02/97/56/373029756.db2.gz CINFZNHPFZCSPR-SSDOTTSWSA-N 0 3 254.294 -1.062 20 0 CAADHN COC(=O)Cn1cc(CN2C[C@H](O)[C@@H](N(C)C)C2)nn1 ZINC000582070483 373029802 /nfs/dbraw/zinc/02/98/02/373029802.db2.gz LHMJEJXHKRWSEQ-QWRGUYRKSA-N 0 3 283.332 -1.442 20 0 CAADHN COCCNCCNC(=O)CN1CCCNC1=O ZINC000582061837 373030223 /nfs/dbraw/zinc/03/02/23/373030223.db2.gz ZHEHHQOWERRUQM-UHFFFAOYSA-N 0 3 258.322 -1.246 20 0 CAADHN CN(C)C(=O)COC1CN(c2nc(N)nc(N)n2)C1 ZINC000624020987 373033033 /nfs/dbraw/zinc/03/30/33/373033033.db2.gz AUBMQGSFFGLQCC-UHFFFAOYSA-N 0 3 267.293 -2.010 20 0 CAADHN COCCN(C)CCNC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000364045324 373035247 /nfs/dbraw/zinc/03/52/47/373035247.db2.gz ZNCNXPUVDFILDV-QWRGUYRKSA-N 0 3 275.349 -1.298 20 0 CAADHN COC[C@H](CNC[C@H](O)CN1CCOCC1)OC ZINC000300579533 373035808 /nfs/dbraw/zinc/03/58/08/373035808.db2.gz SUZVZEYZXCVKQL-RYUDHWBXSA-N 0 3 262.350 -1.070 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CCNC(=O)CC2)CC1=O ZINC000364338000 373040191 /nfs/dbraw/zinc/04/01/91/373040191.db2.gz JIBQQAJUMFPHTA-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN COC(=O)[C@@H](O)CNC(=O)c1cnn(CCN(C)C)c1 ZINC000601387788 373037504 /nfs/dbraw/zinc/03/75/04/373037504.db2.gz FTOUUPPCYRUXRU-JTQLQIEISA-N 0 3 284.316 -1.292 20 0 CAADHN Nc1nc(N)nc(N2CCN(C[C@H]3CCOC3)CC2)n1 ZINC000624024771 373038091 /nfs/dbraw/zinc/03/80/91/373038091.db2.gz YDHYLCIZWZRORB-SECBINFHSA-N 0 3 279.348 -1.145 20 0 CAADHN O=C(NC[C@H](O)[C@@H]1CCOC1)[C@H]1CN2CCN1CCC2 ZINC000536541926 373013102 /nfs/dbraw/zinc/01/31/02/373013102.db2.gz MXRIUKFJGZGLAG-UPJWGTAASA-N 0 3 283.372 -1.110 20 0 CAADHN O=C(NC[C@H](O)[C@H]1CCOC1)[C@@H]1CN2CCN1CCC2 ZINC000536541925 373013485 /nfs/dbraw/zinc/01/34/85/373013485.db2.gz MXRIUKFJGZGLAG-AVGNSLFASA-N 0 3 283.372 -1.110 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)[C@@H]1CCNC1=O ZINC000580211909 373015503 /nfs/dbraw/zinc/01/55/03/373015503.db2.gz OVTCMDYACSNREI-WDEREUQCSA-N 0 3 259.350 -1.254 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCO[C@H](C(=O)OC)C1 ZINC000312922468 373018852 /nfs/dbraw/zinc/01/88/52/373018852.db2.gz MOUYHXLBWMJRNJ-RYUDHWBXSA-N 0 3 290.360 -1.201 20 0 CAADHN O=C(CCN1CC[C@H](CO)[C@@H](O)C1)N1CCOCC1 ZINC000580273190 373021029 /nfs/dbraw/zinc/02/10/29/373021029.db2.gz CSQHPVSGIVFSPD-NEPJUHHUSA-N 0 3 272.345 -1.090 20 0 CAADHN O=C(CCN1CC[C@@H](CO)[C@H](O)C1)N1CCOCC1 ZINC000580273191 373021986 /nfs/dbraw/zinc/02/19/86/373021986.db2.gz CSQHPVSGIVFSPD-NWDGAFQWSA-N 0 3 272.345 -1.090 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000114074986 373024203 /nfs/dbraw/zinc/02/42/03/373024203.db2.gz OPRMMICALGUCFY-SECBINFHSA-N 0 3 276.362 -1.572 20 0 CAADHN CC(C)[C@H]1CN(C(=O)CNS(=O)(=O)N(C)C)CCN1 ZINC000621159824 373048418 /nfs/dbraw/zinc/04/84/18/373048418.db2.gz SOFOUIWXSYLEKT-SNVBAGLBSA-N 0 3 292.405 -1.161 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCNC2=O)CC1=O ZINC000616964504 373050333 /nfs/dbraw/zinc/05/03/33/373050333.db2.gz KLYPCSCXYQVXHD-ZJUUUORDSA-N 0 3 282.344 -1.599 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCCN(C)C ZINC000590817605 373051467 /nfs/dbraw/zinc/05/14/67/373051467.db2.gz KVWUJCVFBZZKKI-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN COC(=O)CC[C@@H](N)C(=O)NCC(F)(F)CN ZINC000592326715 373069012 /nfs/dbraw/zinc/06/90/12/373069012.db2.gz VPRVVYAHLVQORK-ZCFIWIBFSA-N 0 3 253.249 -1.023 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C)C[C@H]1CN ZINC000592308988 373069084 /nfs/dbraw/zinc/06/90/84/373069084.db2.gz MOYWGNNHLULTEC-KXUCPTDWSA-N 0 3 255.318 -1.103 20 0 CAADHN COCCOC[C@H](O)CN1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592194608 373064391 /nfs/dbraw/zinc/06/43/91/373064391.db2.gz PPOIACXILZGEHS-IJLUTSLNSA-N 0 3 291.344 -1.134 20 0 CAADHN COC(=O)CC[C@H](N)C(=O)N1CCN(C)C(=O)C1 ZINC000592155767 373064916 /nfs/dbraw/zinc/06/49/16/373064916.db2.gz CHXGROFNKCYUEP-QMMMGPOBSA-N 0 3 257.290 -1.433 20 0 CAADHN COC(=O)[C@@H]1C[C@H](O)CN(C[C@](C)(O)C(=O)OC)C1 ZINC000592202913 373066353 /nfs/dbraw/zinc/06/63/53/373066353.db2.gz GGJSIAJVZHCDDW-PTRXPTGYSA-N 0 3 275.301 -1.234 20 0 CAADHN COC(=O)[C@H]1C[C@H](O)CN(CCC(=O)NC(N)=O)C1 ZINC000592205397 373066493 /nfs/dbraw/zinc/06/64/93/373066493.db2.gz WNEMGVUGIMGBDA-YUMQZZPRSA-N 0 3 273.289 -1.573 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](O)CN(C[C@](C)(O)C(=O)OC)C1 ZINC000592202910 373066631 /nfs/dbraw/zinc/06/66/31/373066631.db2.gz GGJSIAJVZHCDDW-LNLATYFQSA-N 0 3 275.301 -1.234 20 0 CAADHN COC(=O)[C@@H]1C[C@H](O)CN(C[C@@](C)(O)C(=O)OC)C1 ZINC000592202918 373066888 /nfs/dbraw/zinc/06/68/88/373066888.db2.gz GGJSIAJVZHCDDW-VDDIYKPWSA-N 0 3 275.301 -1.234 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](O)CN(CCCC(=O)NC(N)=O)C1 ZINC000592198646 373066906 /nfs/dbraw/zinc/06/69/06/373066906.db2.gz HUZFOVKQLQKZHR-RKDXNWHRSA-N 0 3 287.316 -1.183 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](O)CN(C[C@@](C)(O)C(=O)OC)C1 ZINC000592202906 373067257 /nfs/dbraw/zinc/06/72/57/373067257.db2.gz GGJSIAJVZHCDDW-KBVBSXBZSA-N 0 3 275.301 -1.234 20 0 CAADHN CNC(=O)NC(=O)CCN1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592199313 373067545 /nfs/dbraw/zinc/06/75/45/373067545.db2.gz TVEPWITYHBRNKS-DTWKUNHWSA-N 0 3 287.316 -1.312 20 0 CAADHN O=C(NC[C@@H]1CN2CCN1CC2)c1cc(=O)[n-]cn1 ZINC000626225579 373040699 /nfs/dbraw/zinc/04/06/99/373040699.db2.gz BZNSMZDVGOHPDB-SECBINFHSA-N 0 3 263.301 -1.088 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N1CCN[C@@H](C(C)C)C1)C(N)=O ZINC000621154439 373042143 /nfs/dbraw/zinc/04/21/43/373042143.db2.gz LGGVXJJMTYXOGB-WDEREUQCSA-N 0 3 284.360 -1.177 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCN[C@H](C(C)C)C1 ZINC000621158090 373047603 /nfs/dbraw/zinc/04/76/03/373047603.db2.gz IRJWSEZXLACCSU-VIFPVBQESA-N 0 3 278.378 -1.503 20 0 CAADHN NC(=O)NC(=O)CCNC(=O)[C@@H]1CNCCC1(F)F ZINC000592541279 373073924 /nfs/dbraw/zinc/07/39/24/373073924.db2.gz CNXXXNYLFDROQU-LURJTMIESA-N 0 3 278.259 -1.068 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)[C@H]1CNCCO1 ZINC000592547663 373074112 /nfs/dbraw/zinc/07/41/12/373074112.db2.gz IZXZTSHOFCESLA-VHSXEESVSA-N 0 3 271.317 -1.662 20 0 CAADHN COC(=O)c1cn(CCNC(=O)COC2(C)CNC2)nn1 ZINC000592567124 373074281 /nfs/dbraw/zinc/07/42/81/373074281.db2.gz UWXAPMPXLSDRJM-UHFFFAOYSA-N 0 3 297.315 -1.441 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)COC1(C)CNC1 ZINC000592564563 373074501 /nfs/dbraw/zinc/07/45/01/373074501.db2.gz IVARYWZUQXGIHA-KOLCDFICSA-N 0 3 286.328 -1.110 20 0 CAADHN CNC(=O)NC(=O)CN1CCCNC[C@H]1C(=O)OC ZINC000592491425 373075077 /nfs/dbraw/zinc/07/50/77/373075077.db2.gz JUILOZSJQZPZFJ-QMMMGPOBSA-N 0 3 272.305 -1.721 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)[C@@H]1CNCCO1 ZINC000592547664 373075106 /nfs/dbraw/zinc/07/51/06/373075106.db2.gz IZXZTSHOFCESLA-ZJUUUORDSA-N 0 3 271.317 -1.662 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)C(C)S(C)(=O)=O ZINC000592556011 373076375 /nfs/dbraw/zinc/07/63/75/373076375.db2.gz ZGJGNTKJZGYYEW-IUCAKERBSA-N 0 3 292.357 -1.217 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)C[C@@H]1COCCN1 ZINC000592550620 373076910 /nfs/dbraw/zinc/07/69/10/373076910.db2.gz ALEMADDEWRBHKI-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)C[C@H]1CNCCO1 ZINC000592548397 373077070 /nfs/dbraw/zinc/07/70/70/373077070.db2.gz OQQLNYYVRRXJCF-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)COC1(C)CNC1 ZINC000592556847 373078620 /nfs/dbraw/zinc/07/86/20/373078620.db2.gz VGKNRLLJYKAUQW-SNVBAGLBSA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H]1NCC1(C)C ZINC000592558218 373078637 /nfs/dbraw/zinc/07/86/37/373078637.db2.gz BHLWOOMCAJSCQU-WCBMZHEXSA-N 0 3 283.328 -1.126 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1NCC1(C)C ZINC000592558217 373078822 /nfs/dbraw/zinc/07/88/22/373078822.db2.gz BHLWOOMCAJSCQU-SCZZXKLOSA-N 0 3 283.328 -1.126 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1NCC1(C)C ZINC000592558216 373078831 /nfs/dbraw/zinc/07/88/31/373078831.db2.gz BHLWOOMCAJSCQU-PSASIEDQSA-N 0 3 283.328 -1.126 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)COC1(C)CNC1 ZINC000592558646 373078976 /nfs/dbraw/zinc/07/89/76/373078976.db2.gz LYEDEGBIQOLZDX-UHFFFAOYSA-N 0 3 287.316 -1.758 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1NCC1(C)C ZINC000592558219 373079038 /nfs/dbraw/zinc/07/90/38/373079038.db2.gz BHLWOOMCAJSCQU-WPRPVWTQSA-N 0 3 283.328 -1.126 20 0 CAADHN COC(=O)CNC(=O)CCN[C@@H]1CCO[C@@H]1C(=O)OC ZINC000595661173 373116863 /nfs/dbraw/zinc/11/68/63/373116863.db2.gz FMJZOIBHMGPFJN-KCJUWKMLSA-N 0 3 288.300 -1.414 20 0 CAADHN COC(=O)C[C@H](N)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000592960188 373084393 /nfs/dbraw/zinc/08/43/93/373084393.db2.gz ZPSJODLGYAWTIB-SRVKXCTJSA-N 0 3 299.371 -1.066 20 0 CAADHN COC[C@@H]1C[C@@H](O)CN1CCC(=O)NCC(=O)OC ZINC000593060622 373087873 /nfs/dbraw/zinc/08/78/73/373087873.db2.gz FVNPPEPLCINDNB-VHSXEESVSA-N 0 3 274.317 -1.253 20 0 CAADHN COC[C@H]1C[C@@H](O)CN1CCC(=O)NCC(=O)OC ZINC000593065933 373087922 /nfs/dbraw/zinc/08/79/22/373087922.db2.gz FVNPPEPLCINDNB-NXEZZACHSA-N 0 3 274.317 -1.253 20 0 CAADHN COC(=O)[C@@](C)(CO)NC[C@@H](O)CN(C)C1CC1 ZINC000595531448 373117075 /nfs/dbraw/zinc/11/70/75/373117075.db2.gz GKOBRYLRUDJWHT-ZYHUDNBSSA-N 0 3 260.334 -1.045 20 0 CAADHN COC(=O)[C@](C)(O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000593052368 373088123 /nfs/dbraw/zinc/08/81/23/373088123.db2.gz QLMUIFRQGLGYQS-CYBMUJFWSA-N 0 3 287.360 -1.384 20 0 CAADHN CNC(=O)NC(=O)CCN1C[C@H](O)C[C@H]1COC ZINC000593061519 373088134 /nfs/dbraw/zinc/08/81/34/373088134.db2.gz QTHRLRRGJQBAHX-DTWKUNHWSA-N 0 3 259.306 -1.086 20 0 CAADHN COC(=O)[C@](C)(CO)NC[C@@H](O)CN(C)C1CC1 ZINC000595531447 373117420 /nfs/dbraw/zinc/11/74/20/373117420.db2.gz GKOBRYLRUDJWHT-PWSUYJOCSA-N 0 3 260.334 -1.045 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000593913092 373095834 /nfs/dbraw/zinc/09/58/34/373095834.db2.gz XBPJULVVDHKBRE-VIFPVBQESA-N 0 3 272.301 -1.235 20 0 CAADHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@H](O)CN1CCOCC1 ZINC000595668199 373117589 /nfs/dbraw/zinc/11/75/89/373117589.db2.gz RKKLZDKRKHTUIC-SDDRHHMPSA-N 0 3 288.344 -1.400 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594043555 373099131 /nfs/dbraw/zinc/09/91/31/373099131.db2.gz SFXOQRHFCUDKCD-KXUCPTDWSA-N 0 3 270.333 -1.419 20 0 CAADHN CCOC(=O)C[C@@H](O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594387576 373101047 /nfs/dbraw/zinc/10/10/47/373101047.db2.gz UTHFMVNTBRBBHY-HBNTYKKESA-N 0 3 286.328 -1.422 20 0 CAADHN Cc1nc(N(C)C)nc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000594701850 373102267 /nfs/dbraw/zinc/10/22/67/373102267.db2.gz PLZXHNKTHJWFBA-NXEZZACHSA-N 0 3 291.359 -1.006 20 0 CAADHN COC(=O)C[C@H](N)C(=O)N[C@H](CN)C(F)(F)F ZINC000594452742 373102613 /nfs/dbraw/zinc/10/26/13/373102613.db2.gz VRUIMYDGUSTPJW-CRCLSJGQSA-N 0 3 257.212 -1.117 20 0 CAADHN N[C@@H]1C[C@@H]2CN(c3cncc(OCCO)n3)CCN2C1=O ZINC000594702019 373102813 /nfs/dbraw/zinc/10/28/13/373102813.db2.gz SPGMWFXXOWTVKZ-NXEZZACHSA-N 0 3 293.327 -1.404 20 0 CAADHN NC[C@@H](NC(=O)NCCC(=O)NC(N)=O)C(F)(F)F ZINC000594523400 373103015 /nfs/dbraw/zinc/10/30/15/373103015.db2.gz BDSBLNAPFPOLQW-SCSAIBSYSA-N 0 3 285.226 -1.240 20 0 CAADHN CN[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000594437238 373103039 /nfs/dbraw/zinc/10/30/39/373103039.db2.gz VCGJQBGMLYYRKQ-YUMQZZPRSA-N 0 3 257.290 -1.516 20 0 CAADHN N[C@@H]1C[C@H]2CN(c3cncc(OCCO)n3)CCN2C1=O ZINC000594702023 373103073 /nfs/dbraw/zinc/10/30/73/373103073.db2.gz SPGMWFXXOWTVKZ-VHSXEESVSA-N 0 3 293.327 -1.404 20 0 CAADHN COC[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594660332 373103165 /nfs/dbraw/zinc/10/31/65/373103165.db2.gz MVSQRLWWJJZHOY-IVZWLZJFSA-N 0 3 270.333 -1.025 20 0 CAADHN NC[C@H](NC(=O)NCCC(=O)NC(N)=O)C(F)(F)F ZINC000594523399 373103205 /nfs/dbraw/zinc/10/32/05/373103205.db2.gz BDSBLNAPFPOLQW-BYPYZUCNSA-N 0 3 285.226 -1.240 20 0 CAADHN COC[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594660330 373103221 /nfs/dbraw/zinc/10/32/21/373103221.db2.gz MVSQRLWWJJZHOY-AEJSXWLSSA-N 0 3 270.333 -1.025 20 0 CAADHN N[C@H]1C[C@H]2CN(c3cncc(OCCO)n3)CCN2C1=O ZINC000594702022 373103296 /nfs/dbraw/zinc/10/32/96/373103296.db2.gz SPGMWFXXOWTVKZ-UWVGGRQHSA-N 0 3 293.327 -1.404 20 0 CAADHN CNS(=O)(=O)CCCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875148 373105354 /nfs/dbraw/zinc/10/53/54/373105354.db2.gz XXZCBSMHCPHSCI-ZJUUUORDSA-N 0 3 290.389 -1.831 20 0 CAADHN CNC(=O)NC(=O)CCN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875330 373105484 /nfs/dbraw/zinc/10/54/84/373105484.db2.gz AZIFHXSOYLVRSN-DTWKUNHWSA-N 0 3 283.332 -1.924 20 0 CAADHN CN(C1CC1)S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875515 373105493 /nfs/dbraw/zinc/10/54/93/373105493.db2.gz MCVWCFHOHVDRFR-VHSXEESVSA-N 0 3 288.373 -1.431 20 0 CAADHN COCCCNC(=O)[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594875733 373105526 /nfs/dbraw/zinc/10/55/26/373105526.db2.gz WIKCVDBAUBETKL-TUAOUCFPSA-N 0 3 298.387 -1.229 20 0 CAADHN COCCCNC(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594875728 373105684 /nfs/dbraw/zinc/10/56/84/373105684.db2.gz WIKCVDBAUBETKL-SDDRHHMPSA-N 0 3 298.387 -1.229 20 0 CAADHN COC(=O)[C@@H]1OCC[C@@H]1NCCN1C(=O)N[C@@H](C)C1=O ZINC000595658681 373118153 /nfs/dbraw/zinc/11/81/53/373118153.db2.gz HFCUEULESBCOPA-XHNCKOQMSA-N 0 3 285.300 -1.153 20 0 CAADHN CC(C)OC[C@H](N)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594879767 373106410 /nfs/dbraw/zinc/10/64/10/373106410.db2.gz PILPFWQSQFLLQI-AXFHLTTASA-N 0 3 284.360 -1.491 20 0 CAADHN NCC(F)(F)CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594878976 373106463 /nfs/dbraw/zinc/10/64/63/373106463.db2.gz KRRUXOLTXJOBPL-HTQZYQBOSA-N 0 3 276.287 -1.259 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3CC3)CCN2C1=O ZINC000594878155 373106505 /nfs/dbraw/zinc/10/65/05/373106505.db2.gz QHUNMZPLDKBGTI-VHSXEESVSA-N 0 3 280.328 -1.717 20 0 CAADHN C[C@@H]1CNC[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)O1 ZINC000594878359 373106555 /nfs/dbraw/zinc/10/65/55/373106555.db2.gz GUGGMOLDGAUVLR-LMLFDSFASA-N 0 3 282.344 -1.866 20 0 CAADHN C[C@@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N(C)C ZINC000594880472 373106605 /nfs/dbraw/zinc/10/66/05/373106605.db2.gz NLZHTEKGVKEJOQ-GUBZILKMSA-N 0 3 254.334 -1.293 20 0 CAADHN CCN1C[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1=O ZINC000594877036 373106796 /nfs/dbraw/zinc/10/67/96/373106796.db2.gz NFNXZVXSHHXWSB-OUAUKWLOSA-N 0 3 294.355 -1.375 20 0 CAADHN CCN1C[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1=O ZINC000594877038 373106933 /nfs/dbraw/zinc/10/69/33/373106933.db2.gz NFNXZVXSHHXWSB-VWYCJHECSA-N 0 3 294.355 -1.375 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CC(F)(F)CN3)CCN2C1=O ZINC000594881523 373106950 /nfs/dbraw/zinc/10/69/50/373106950.db2.gz ZFAXFBVKPPPYFT-DJLDLDEBSA-N 0 3 288.298 -1.246 20 0 CAADHN CC(C)OC[C@H](N)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594879770 373107177 /nfs/dbraw/zinc/10/71/77/373107177.db2.gz PILPFWQSQFLLQI-VWYCJHECSA-N 0 3 284.360 -1.491 20 0 CAADHN C[C@@H]1CNC[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)O1 ZINC000594878358 373107277 /nfs/dbraw/zinc/10/72/77/373107277.db2.gz GUGGMOLDGAUVLR-GWOFURMSSA-N 0 3 282.344 -1.866 20 0 CAADHN CCN1CC[C@@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000616307280 373107804 /nfs/dbraw/zinc/10/78/04/373107804.db2.gz KCHHDBUDLUVPQD-SECBINFHSA-N 0 3 278.378 -1.407 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594885887 373107894 /nfs/dbraw/zinc/10/78/94/373107894.db2.gz LLLYNIWDMCEZSJ-AXTSPUMRSA-N 0 3 281.312 -1.434 20 0 CAADHN NCC(F)(F)CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594878983 373108036 /nfs/dbraw/zinc/10/80/36/373108036.db2.gz KRRUXOLTXJOBPL-YUMQZZPRSA-N 0 3 276.287 -1.259 20 0 CAADHN NC(=O)[C@H]1C[C@@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595273122 373109581 /nfs/dbraw/zinc/10/95/81/373109581.db2.gz JGKGTJJOAIOVSZ-RGOKHQFPSA-N 0 3 295.343 -1.796 20 0 CAADHN CO[C@@H](C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595270118 373109731 /nfs/dbraw/zinc/10/97/31/373109731.db2.gz GZDBSQMIXTUVIV-IVZWLZJFSA-N 0 3 270.333 -1.025 20 0 CAADHN CO[C@@H](C)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595270117 373109764 /nfs/dbraw/zinc/10/97/64/373109764.db2.gz GZDBSQMIXTUVIV-GUBZILKMSA-N 0 3 270.333 -1.025 20 0 CAADHN CCN(C)C(=O)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595273453 373111084 /nfs/dbraw/zinc/11/10/84/373111084.db2.gz DILUMEBLVOXEQG-ZJUUUORDSA-N 0 3 297.359 -1.582 20 0 CAADHN CCN(C)C(=O)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595273452 373113075 /nfs/dbraw/zinc/11/30/75/373113075.db2.gz DILUMEBLVOXEQG-VHSXEESVSA-N 0 3 297.359 -1.582 20 0 CAADHN COC(=O)[C@@H]1OCC[C@@H]1NCCN1C(=O)N[C@H](C)C1=O ZINC000595658676 373118515 /nfs/dbraw/zinc/11/85/15/373118515.db2.gz HFCUEULESBCOPA-HRDYMLBCSA-N 0 3 285.300 -1.153 20 0 CAADHN COC(=O)CCN1CC[C@H](N2C[C@H](O)[C@@H](N(C)C)C2)C1=O ZINC000595498666 373115238 /nfs/dbraw/zinc/11/52/38/373115238.db2.gz VHFRSZDHHQVPHD-SRVKXCTJSA-N 0 3 299.371 -1.243 20 0 CAADHN COC(=O)CCN1CC[C@@H](N2C[C@H](O)[C@@H](N(C)C)C2)C1=O ZINC000595498667 373115383 /nfs/dbraw/zinc/11/53/83/373115383.db2.gz VHFRSZDHHQVPHD-WOPDTQHZSA-N 0 3 299.371 -1.243 20 0 CAADHN COC(=O)Cn1cc(CNC(=O)C(N)C(F)(F)F)nn1 ZINC000592228085 373069503 /nfs/dbraw/zinc/06/95/03/373069503.db2.gz IFQUVWSHIDFNNX-ZETCQYMHSA-N 0 3 295.221 -1.043 20 0 CAADHN COCCN1CCC[C@H](NC(=O)CNC(N)=O)C1 ZINC000592315061 373070705 /nfs/dbraw/zinc/07/07/05/373070705.db2.gz UUCFDUFJYKYCJI-VIFPVBQESA-N 0 3 258.322 -1.118 20 0 CAADHN COC(=O)[C@H]1CNCCCN1CCNS(C)(=O)=O ZINC000592488051 373071707 /nfs/dbraw/zinc/07/17/07/373071707.db2.gz HGOHFZPUHUUJLJ-SECBINFHSA-N 0 3 279.362 -1.628 20 0 CAADHN CCOCCNC(=O)CN1CCCNC[C@@H]1C(=O)OC ZINC000592487980 373071737 /nfs/dbraw/zinc/07/17/37/373071737.db2.gz FXDHXYZRPBIVEN-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN COC(=O)[C@@H](O)CNC[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000592431531 373072611 /nfs/dbraw/zinc/07/26/11/373072611.db2.gz ZXXJHZPECQDEAB-USZNOCQGSA-N 0 3 290.360 -1.420 20 0 CAADHN CNS(=O)(=O)CCCN1CCCNC[C@@H]1C(=O)OC ZINC000592488046 373072760 /nfs/dbraw/zinc/07/27/60/373072760.db2.gz GZALELNKBJIYBF-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN COC(=O)c1cnc(C(=O)N[C@H](CO)CN(C)C)cn1 ZINC000597654533 373151671 /nfs/dbraw/zinc/15/16/71/373151671.db2.gz SUTGSKBRYPJMLC-QMMMGPOBSA-N 0 3 282.300 -1.085 20 0 CAADHN CCOC(=O)C[C@@H](O)C(=O)N[C@H](CO)CN(C)C ZINC000597652653 373152184 /nfs/dbraw/zinc/15/21/84/373152184.db2.gz DHOYKUPTNWELNG-DTWKUNHWSA-N 0 3 262.306 -1.661 20 0 CAADHN COC(=O)[C@H]1C[C@@H](O)CN(c2nc(N)nc(N)n2)C1 ZINC000599093016 373165867 /nfs/dbraw/zinc/16/58/67/373165867.db2.gz MBIHZQIXNMJOKU-NTSWFWBYSA-N 0 3 268.277 -1.943 20 0 CAADHN CCOC(=O)[C@](C)(O)CNc1nc(N)nc(N)n1 ZINC000599064814 373166006 /nfs/dbraw/zinc/16/60/06/373166006.db2.gz FECLAHUUYKVCIV-SECBINFHSA-N 0 3 256.266 -2.155 20 0 CAADHN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)Nc1nc(N)nc(N)n1 ZINC000599073860 373166334 /nfs/dbraw/zinc/16/63/34/373166334.db2.gz OSXDKOZPBDIQAK-RITPCOANSA-N 0 3 297.319 -2.013 20 0 CAADHN CCOC(=O)[C@H](C)NC(=O)[C@H](C)Nc1nc(N)nc(N)n1 ZINC000599073861 373166363 /nfs/dbraw/zinc/16/63/63/373166363.db2.gz OSXDKOZPBDIQAK-WDSKDSINSA-N 0 3 297.319 -2.013 20 0 CAADHN COC(=O)CNC(=O)[C@H]1CCCN1c1nc(N)nc(N)n1 ZINC000599093532 373166461 /nfs/dbraw/zinc/16/64/61/373166461.db2.gz WJYCFPXQBNDFHQ-ZCFIWIBFSA-N 0 3 295.303 -2.045 20 0 CAADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)C3COC3)CCN2C1=O ZINC000599097307 373166844 /nfs/dbraw/zinc/16/68/44/373166844.db2.gz BESFIGYXSLQOKN-IONNQARKSA-N 0 3 275.330 -2.041 20 0 CAADHN N[C@H]1C[C@H]2CN(S(=O)(=O)C3COC3)CCN2C1=O ZINC000599097306 373166877 /nfs/dbraw/zinc/16/68/77/373166877.db2.gz BESFIGYXSLQOKN-CBAPKCEASA-N 0 3 275.330 -2.041 20 0 CAADHN COC(=O)c1cn(CCNc2nc(N)nc(N)n2)nn1 ZINC000599074512 373167089 /nfs/dbraw/zinc/16/70/89/373167089.db2.gz RWQFNASQPVPSMQ-UHFFFAOYSA-N 0 3 279.264 -2.391 20 0 CAADHN C[S@@](=O)C1(CNc2nc(N)nc(N)n2)CCC1 ZINC000599074020 373167114 /nfs/dbraw/zinc/16/71/14/373167114.db2.gz JFHUPOBPDMWJIF-QGZVFWFLSA-N 0 3 256.335 -1.168 20 0 CAADHN COC(=O)CCSCCNc1nc(N)nc(N)n1 ZINC000599044299 373167340 /nfs/dbraw/zinc/16/73/40/373167340.db2.gz OKLDOUUCUVETIT-UHFFFAOYSA-N 0 3 272.334 -1.173 20 0 CAADHN COC(=O)[C@@H](NCCCNc1nc(N)nc(N)n1)C(C)C ZINC000599086817 373167474 /nfs/dbraw/zinc/16/74/74/373167474.db2.gz SKMFYHBEIBAVMN-QMMMGPOBSA-N 0 3 297.363 -1.292 20 0 CAADHN COC(=O)[C@@H]1CN(c2nc(N)nc(N)n2)C[C@@H](C)O1 ZINC000599153042 373168826 /nfs/dbraw/zinc/16/88/26/373168826.db2.gz UEDBCWVGZAGPGU-RITPCOANSA-N 0 3 268.277 -1.537 20 0 CAADHN COCCN1CCCN(C(=O)COC2CNC2)CC1=O ZINC000567826203 373169374 /nfs/dbraw/zinc/16/93/74/373169374.db2.gz VGGBOFBVQJBGQW-UHFFFAOYSA-N 0 3 285.344 -1.318 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C[C@H]1CCC2(CNC2)O1 ZINC000595893104 373120691 /nfs/dbraw/zinc/12/06/91/373120691.db2.gz PFGQZABDYLLOTL-GHMZBOCLSA-N 0 3 297.355 -1.129 20 0 CAADHN COC(=O)CNC(=O)CCN1CCC(=O)N(C)CC1 ZINC000595790061 373120859 /nfs/dbraw/zinc/12/08/59/373120859.db2.gz ZLSKQDIBPIPJKJ-UHFFFAOYSA-N 0 3 271.317 -1.170 20 0 CAADHN CNC(=O)NC(=O)CCN1CCC(=O)N(C)CC1 ZINC000595771715 373120965 /nfs/dbraw/zinc/12/09/65/373120965.db2.gz DVHKKLSGXFCKKO-UHFFFAOYSA-N 0 3 256.306 -1.004 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CNC(C)C ZINC000595953208 373122876 /nfs/dbraw/zinc/12/28/76/373122876.db2.gz XIOUQQRGYQDQHP-VIFPVBQESA-N 0 3 271.317 -1.126 20 0 CAADHN CCN1CCN([C@H]2CCN(C(=O)C3(O)CNC3)C2)CC1 ZINC000595954587 373125452 /nfs/dbraw/zinc/12/54/52/373125452.db2.gz JTSMMVFGGFWWCS-LBPRGKRZSA-N 0 3 282.388 -1.441 20 0 CAADHN COC(=O)C[C@H](N)C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000595975745 373126858 /nfs/dbraw/zinc/12/68/58/373126858.db2.gz KISNJNVTEFBPGB-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN CN1C[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)NC1=O ZINC000595969249 373127428 /nfs/dbraw/zinc/12/74/28/373127428.db2.gz CXUOCSRQYWVDLX-IWSPIJDZSA-N 0 3 281.316 -2.220 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)C3(O)CNC3)CCN2C1=O ZINC000595969016 373127766 /nfs/dbraw/zinc/12/77/66/373127766.db2.gz BBAZFQFCXOXCEC-SFYZADRCSA-N 0 3 254.290 -2.909 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)C3(O)CNC3)CCN2C1=O ZINC000595969015 373128141 /nfs/dbraw/zinc/12/81/41/373128141.db2.gz BBAZFQFCXOXCEC-JGVFFNPUSA-N 0 3 254.290 -2.909 20 0 CAADHN COCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595989634 373129623 /nfs/dbraw/zinc/12/96/23/373129623.db2.gz SJVSDFXGMKKXKK-NXEZZACHSA-N 0 3 298.343 -2.138 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)N3CCOCC3)CCN2C1=O ZINC000595986636 373129654 /nfs/dbraw/zinc/12/96/54/373129654.db2.gz JEASOEITOLAZBT-ZJUUUORDSA-N 0 3 296.327 -2.384 20 0 CAADHN COCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595989636 373129818 /nfs/dbraw/zinc/12/98/18/373129818.db2.gz SJVSDFXGMKKXKK-UWVGGRQHSA-N 0 3 298.343 -2.138 20 0 CAADHN COc1c(N)ncnc1N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000596013646 373130285 /nfs/dbraw/zinc/13/02/85/373130285.db2.gz ISPIRHRBCVRTGB-YUMQZZPRSA-N 0 3 278.316 -1.184 20 0 CAADHN COCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595989638 373130303 /nfs/dbraw/zinc/13/03/03/373130303.db2.gz SJVSDFXGMKKXKK-VHSXEESVSA-N 0 3 298.343 -2.138 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)N3CCCC3)CCN2C1=O ZINC000595990599 373130482 /nfs/dbraw/zinc/13/04/82/373130482.db2.gz YPSXGJXLBFZOHK-VHSXEESVSA-N 0 3 280.328 -1.621 20 0 CAADHN CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595986680 373130510 /nfs/dbraw/zinc/13/05/10/373130510.db2.gz JNURRJYCGZUFPR-UWVGGRQHSA-N 0 3 282.344 -1.375 20 0 CAADHN CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595986683 373130600 /nfs/dbraw/zinc/13/06/00/373130600.db2.gz JNURRJYCGZUFPR-ZJUUUORDSA-N 0 3 282.344 -1.375 20 0 CAADHN CN(CC1CC1)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595982091 373130753 /nfs/dbraw/zinc/13/07/53/373130753.db2.gz SIDAXDKFGRNESQ-WDEREUQCSA-N 0 3 294.355 -1.375 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCOCC2)[C@H](CN)C1 ZINC000574443332 335019842 /nfs/dbraw/zinc/01/98/42/335019842.db2.gz SUCBGPBXFQQLLS-SNVBAGLBSA-N 0 3 270.333 -2.054 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(C)C2)C1=O ZINC000603264287 373211753 /nfs/dbraw/zinc/21/17/53/373211753.db2.gz RXBSTFPPLXFEBY-MRVPVSSYSA-N 0 3 282.300 -1.383 20 0 CAADHN NC(=O)[C@H]1CCCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624036422 373212713 /nfs/dbraw/zinc/21/27/13/373212713.db2.gz LQEZZJZILVKLSO-WDSKDSINSA-N 0 3 251.294 -1.425 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCN(C)C2)C1=O ZINC000603262069 373212858 /nfs/dbraw/zinc/21/28/58/373212858.db2.gz NTWQBTAPACPKEV-VIFPVBQESA-N 0 3 296.327 -1.135 20 0 CAADHN CN1CCC[C@H](NC(=O)NCCN2C(=O)CNC2=O)C1 ZINC000603593557 373215119 /nfs/dbraw/zinc/21/51/19/373215119.db2.gz MGBRQUWYLVEOHY-VIFPVBQESA-N 0 3 283.332 -1.068 20 0 CAADHN CN1CCC[C@H]1CNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000051713150 373219003 /nfs/dbraw/zinc/21/90/03/373219003.db2.gz IQAMWHHOPDPVGY-UWVGGRQHSA-N 0 3 270.333 -1.024 20 0 CAADHN CN1CCN(C(=O)CN2CCCNC2=O)[C@H](CN)C1 ZINC000563101358 373219519 /nfs/dbraw/zinc/21/95/19/373219519.db2.gz DWVLXJGKKWIETE-SNVBAGLBSA-N 0 3 269.349 -1.497 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCC[C@](O)(CO)C1 ZINC000313626158 373220684 /nfs/dbraw/zinc/22/06/84/373220684.db2.gz LGCHTGVUYFJZSP-QWHCGFSZSA-N 0 3 276.377 -1.255 20 0 CAADHN NC(=O)NC(=O)CCN[C@H](CO)CN1CCCC1 ZINC000563138082 373221582 /nfs/dbraw/zinc/22/15/82/373221582.db2.gz MZXRWLOKOFYFRZ-VIFPVBQESA-N 0 3 258.322 -1.382 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCC[C@](O)(CO)C1 ZINC000313626152 373221958 /nfs/dbraw/zinc/22/19/58/373221958.db2.gz LGCHTGVUYFJZSP-CHWSQXEVSA-N 0 3 276.377 -1.255 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000563139699 373222649 /nfs/dbraw/zinc/22/26/49/373222649.db2.gz BRFRDQKMJJDXFO-NJMOYASZSA-N 0 3 276.377 -1.212 20 0 CAADHN CN1CCC[C@@H](N2CCN(C(=O)CNC(N)=O)CC2)C1 ZINC000604604939 373223663 /nfs/dbraw/zinc/22/36/63/373223663.db2.gz HZKRIFKFTPGUJA-LLVKDONJSA-N 0 3 283.376 -1.107 20 0 CAADHN CN1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H](CN)C1 ZINC000250374348 373174001 /nfs/dbraw/zinc/17/40/01/373174001.db2.gz JSYRDMCFIZYNLL-VHSXEESVSA-N 0 3 254.334 -1.386 20 0 CAADHN CCOCCS(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000250395702 373174598 /nfs/dbraw/zinc/17/45/98/373174598.db2.gz ORBUIACUXOQYKF-SNVBAGLBSA-N 0 3 265.379 -1.073 20 0 CAADHN CCOC(=O)C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000599424789 373176602 /nfs/dbraw/zinc/17/66/02/373176602.db2.gz VNKFHZUHQCFJDM-DCAQKATOSA-N 0 3 260.334 -1.093 20 0 CAADHN C[C@@H](C(=O)N1CCN(C)C[C@H]1CN)n1cncn1 ZINC000251031705 373177028 /nfs/dbraw/zinc/17/70/28/373177028.db2.gz KVRISJBADGWRIV-VHSXEESVSA-N 0 3 252.322 -1.060 20 0 CAADHN C[C@H](C(=O)N1CCN(C)C[C@H]1CN)n1cncn1 ZINC000251031704 373177611 /nfs/dbraw/zinc/17/76/11/373177611.db2.gz KVRISJBADGWRIV-NXEZZACHSA-N 0 3 252.322 -1.060 20 0 CAADHN COC(=O)[C@]1(OC)CCN(CCC(=O)NC(N)=O)C1 ZINC000599564723 373182461 /nfs/dbraw/zinc/18/24/61/373182461.db2.gz VOIZVYONLHRRPX-NSHDSACASA-N 0 3 273.289 -1.165 20 0 CAADHN COC(=O)c1cnn(CC(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000599760709 373185062 /nfs/dbraw/zinc/18/50/62/373185062.db2.gz QYBNMMFTPPYAGL-ZDUSSCGKSA-N 0 3 296.327 -1.148 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000567829757 373185682 /nfs/dbraw/zinc/18/56/82/373185682.db2.gz NADHFBWCWGIUPY-DTWKUNHWSA-N 0 3 278.378 -1.975 20 0 CAADHN CSCC[C@H](NC(N)=O)C(=O)N[C@@H](CO)CN(C)C ZINC000599938666 373187405 /nfs/dbraw/zinc/18/74/05/373187405.db2.gz DCBISLDWMYXSPC-BDAKNGLRSA-N 0 3 292.405 -1.185 20 0 CAADHN NC(=O)[C@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000599933720 373187568 /nfs/dbraw/zinc/18/75/68/373187568.db2.gz JGKGTJJOAIOVSZ-AATLWQCWSA-N 0 3 295.343 -1.796 20 0 CAADHN CC1(C)CN(c2nc(N)nc(N)n2)CCS1(=O)=O ZINC000624032321 373187683 /nfs/dbraw/zinc/18/76/83/373187683.db2.gz GKKJXAJIJVDFKD-UHFFFAOYSA-N 0 3 272.334 -1.290 20 0 CAADHN CSCC[C@H](NC(N)=O)C(=O)N[C@H](CO)CN(C)C ZINC000599938667 373188082 /nfs/dbraw/zinc/18/80/82/373188082.db2.gz DCBISLDWMYXSPC-IUCAKERBSA-N 0 3 292.405 -1.185 20 0 CAADHN COC(=O)c1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n(C)n1 ZINC000601591739 373189333 /nfs/dbraw/zinc/18/93/33/373189333.db2.gz LEYGUPINHMUPSV-QWRGUYRKSA-N 0 3 296.327 -1.046 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN(C(=O)Cc2ncn[nH]2)C1 ZINC000601633215 373189813 /nfs/dbraw/zinc/18/98/13/373189813.db2.gz USUFBPLGPWKLGS-SECBINFHSA-N 0 3 281.316 -1.090 20 0 CAADHN COC(=O)[C@@H]1O[C@@H](C(=O)N[C@H](CO)CN(C)C)C[C@H]1C ZINC000601590851 373190087 /nfs/dbraw/zinc/19/00/87/373190087.db2.gz XGQDHAGTCFFOTH-LMLFDSFASA-N 0 3 288.344 -1.008 20 0 CAADHN COC(=O)c1cc(C(=O)N[C@@H](CO)CN(C)C)n(C)n1 ZINC000601588598 373190343 /nfs/dbraw/zinc/19/03/43/373190343.db2.gz OQIBMJWKIZWLKY-MRVPVSSYSA-N 0 3 284.316 -1.141 20 0 CAADHN COCCN(C)CCNC(=O)N[C@@H]1COC[C@@H]1O ZINC000636709072 373192121 /nfs/dbraw/zinc/19/21/21/373192121.db2.gz LJQCQEYGLQLQGZ-ZJUUUORDSA-N 0 3 261.322 -1.377 20 0 CAADHN COCCN(C)CCNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636709112 373192786 /nfs/dbraw/zinc/19/27/86/373192786.db2.gz MSKNLIRBYSGCNJ-GFCCVEGCSA-N 0 3 288.392 -1.070 20 0 CAADHN COCCN(C)CCNC(=O)NCCN1CC[C@H](O)C1 ZINC000636709113 373192847 /nfs/dbraw/zinc/19/28/47/373192847.db2.gz MSKNLIRBYSGCNJ-LBPRGKRZSA-N 0 3 288.392 -1.070 20 0 CAADHN CN1CCC(N2CC[C@@H](NS(N)(=O)=O)C2)CC1 ZINC000602283977 373196716 /nfs/dbraw/zinc/19/67/16/373196716.db2.gz ZUDMGRIVYQJHMP-SECBINFHSA-N 0 3 262.379 -1.052 20 0 CAADHN COC[C@](C)(NC(=O)CN1CCNCC1)C(=O)OC ZINC000602463089 373199234 /nfs/dbraw/zinc/19/92/34/373199234.db2.gz UKULWBCNJXYVNB-LBPRGKRZSA-N 0 3 273.333 -1.414 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[C@@H](O)C3)CCN2C1=O ZINC000602521280 373199286 /nfs/dbraw/zinc/19/92/86/373199286.db2.gz ALLYHJGDKZVOKL-DOLQZWNJSA-N 0 3 253.302 -1.472 20 0 CAADHN CC(=O)N[C@@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)C ZINC000602524022 373199344 /nfs/dbraw/zinc/19/93/44/373199344.db2.gz JTKMIBSORZZNCG-GRYCIOLGSA-N 0 3 296.371 -1.083 20 0 CAADHN C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N(C)C ZINC000602526012 373199402 /nfs/dbraw/zinc/19/94/02/373199402.db2.gz NLZHTEKGVKEJOQ-OPRDCNLKSA-N 0 3 254.334 -1.293 20 0 CAADHN COC(=O)[C@H]1C[C@@H](NC(=O)CN2CCNCC2)C1 ZINC000602522447 373199555 /nfs/dbraw/zinc/19/95/55/373199555.db2.gz UYXZTRRTEHUBAK-AOOOYVTPSA-N 0 3 255.318 -1.041 20 0 CAADHN C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N(C)C ZINC000602525996 373199749 /nfs/dbraw/zinc/19/97/49/373199749.db2.gz NLZHTEKGVKEJOQ-BBBLOLIVSA-N 0 3 254.334 -1.293 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)O1 ZINC000602524570 373199913 /nfs/dbraw/zinc/19/99/13/373199913.db2.gz LUQALKULZSKRNM-WISYIIOYSA-N 0 3 296.371 -1.524 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@H](C)O1 ZINC000602519051 373200372 /nfs/dbraw/zinc/20/03/72/373200372.db2.gz USHLXBZGZFCDTI-AATLWQCWSA-N 0 3 272.301 -1.109 20 0 CAADHN CC(=O)N[C@@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)C ZINC000602524026 373200502 /nfs/dbraw/zinc/20/05/02/373200502.db2.gz JTKMIBSORZZNCG-SDDRHHMPSA-N 0 3 296.371 -1.083 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C3)CCN2C1=O ZINC000602521279 373200860 /nfs/dbraw/zinc/20/08/60/373200860.db2.gz ALLYHJGDKZVOKL-AXTSPUMRSA-N 0 3 253.302 -1.472 20 0 CAADHN CCN[C@H](C)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000602497765 373201033 /nfs/dbraw/zinc/20/10/33/373201033.db2.gz WVSBPGLVGSHABT-BDAKNGLRSA-N 0 3 271.317 -1.126 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000602519005 373201133 /nfs/dbraw/zinc/20/11/33/373201133.db2.gz CWPIDZMNLQJMLP-XHNCKOQMSA-N 0 3 258.274 -1.497 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)C[C@@H](C)O1 ZINC000602549388 373202085 /nfs/dbraw/zinc/20/20/85/373202085.db2.gz USHLXBZGZFCDTI-XFWSIPNHSA-N 0 3 272.301 -1.109 20 0 CAADHN COC(=O)C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000602507912 373202249 /nfs/dbraw/zinc/20/22/49/373202249.db2.gz LVVAXQLMVOJRPE-WCABBAIRSA-N 0 3 272.301 -1.107 20 0 CAADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCN1 ZINC000602590636 373202354 /nfs/dbraw/zinc/20/23/54/373202354.db2.gz VFAJLZUPKWBVAD-BIIVOSGPSA-N 0 3 257.290 -1.469 20 0 CAADHN C[C@]1(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CNCCO1 ZINC000602531892 373202535 /nfs/dbraw/zinc/20/25/35/373202535.db2.gz XRRXCZGNTHVNPR-OPQQBVKSSA-N 0 3 282.344 -1.865 20 0 CAADHN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)CN1CCNCC1 ZINC000602511119 373202559 /nfs/dbraw/zinc/20/25/59/373202559.db2.gz ILYOGCGKLBSNNP-ZYHUDNBSSA-N 0 3 285.344 -1.584 20 0 CAADHN COC(=O)[C@H]1CN(C)CCN(CCCS(N)(=O)=O)C1 ZINC000602842491 373205639 /nfs/dbraw/zinc/20/56/39/373205639.db2.gz ZRXXPZBICOFOFN-JTQLQIEISA-N 0 3 293.389 -1.298 20 0 CAADHN CN1CCC[C@H]1CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000637532294 373279573 /nfs/dbraw/zinc/27/95/73/373279573.db2.gz BBOPCIBQMPFMQN-LPEHRKFASA-N 0 3 280.328 -1.005 20 0 CAADHN CC1(C)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000570986178 373275040 /nfs/dbraw/zinc/27/50/40/373275040.db2.gz NJBDEAMHWSGUPW-UTLUCORTSA-N 0 3 294.355 -1.329 20 0 CAADHN CN1CCN(C(=O)CCN(CCO)CCO)CC1 ZINC000338312320 373276519 /nfs/dbraw/zinc/27/65/19/373276519.db2.gz HAEUNYFEXZLRFP-UHFFFAOYSA-N 0 3 259.350 -1.563 20 0 CAADHN CN(C)CCOCCNC(=O)N[C@@H]1COC[C@@H]1O ZINC000637078909 373228113 /nfs/dbraw/zinc/22/81/13/373228113.db2.gz ODNRFRBLOZKLEH-ZJUUUORDSA-N 0 3 261.322 -1.377 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)N(CCO)CCOCCO ZINC000637146063 373233331 /nfs/dbraw/zinc/23/33/31/373233331.db2.gz RPZGHFBKJYPKQT-NSHDSACASA-N 0 3 277.365 -1.051 20 0 CAADHN CN1CCN(C(=O)CCN2C[C@@H](O)[C@H](O)C2)CC1 ZINC000338341830 373277551 /nfs/dbraw/zinc/27/75/51/373277551.db2.gz FTXZKEHXASXOFO-GHMZBOCLSA-N 0 3 257.334 -1.812 20 0 CAADHN CN(C)CCOCCNC(=O)N(C)[C@H]1COC[C@@H]1O ZINC000355354257 373236633 /nfs/dbraw/zinc/23/66/33/373236633.db2.gz RRDZSYCAVXVTJB-QWRGUYRKSA-N 0 3 275.349 -1.034 20 0 CAADHN CN(C)CCOCCNC(=O)N(C)[C@H]1COC[C@H]1O ZINC000355354258 373236866 /nfs/dbraw/zinc/23/68/66/373236866.db2.gz RRDZSYCAVXVTJB-WDEREUQCSA-N 0 3 275.349 -1.034 20 0 CAADHN COC(=O)CN(CCN1CCOCC1)C(=O)[C@H](C)N ZINC000563159405 373237021 /nfs/dbraw/zinc/23/70/21/373237021.db2.gz DRZMSVMVAWKCEJ-JTQLQIEISA-N 0 3 273.333 -1.333 20 0 CAADHN COCCN(C(=O)[C@@H]1C[C@@H]1N)[C@@H]1CCS(=O)(=O)C1 ZINC000050463981 373237699 /nfs/dbraw/zinc/23/76/99/373237699.db2.gz GLOWJZWLXKZFCR-BBBLOLIVSA-N 0 3 276.358 -1.004 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000050461923 373239065 /nfs/dbraw/zinc/23/90/65/373239065.db2.gz GBAGUJYIUGPQOO-ZJUUUORDSA-N 0 3 254.334 -1.386 20 0 CAADHN CN1CCN(C(=O)CCN2CC[C@H](NC(N)=O)C2)CC1 ZINC000338285858 373277882 /nfs/dbraw/zinc/27/78/82/373277882.db2.gz LPADJPZITNITSV-NSHDSACASA-N 0 3 283.376 -1.107 20 0 CAADHN CN1CCN(C(=O)CCN2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000338341831 373277937 /nfs/dbraw/zinc/27/79/37/373277937.db2.gz FTXZKEHXASXOFO-PHIMTYICSA-N 0 3 257.334 -1.812 20 0 CAADHN C[C@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000336663497 373243057 /nfs/dbraw/zinc/24/30/57/373243057.db2.gz SIEIXSLSZHUSQI-DTWKUNHWSA-N 0 3 251.352 -1.128 20 0 CAADHN CC(C)[C@H](CNc1nc(N)nc(N)n1)N1CCOCC1 ZINC000623832391 373243722 /nfs/dbraw/zinc/24/37/22/373243722.db2.gz YSUAKPGORADKAF-VIFPVBQESA-N 0 3 281.364 -1.113 20 0 CAADHN CNS(=O)(=O)CCCN(CCO)C[C@H](C)O ZINC000336645313 373243856 /nfs/dbraw/zinc/24/38/56/373243856.db2.gz CVWZLABUVSJFRI-VIFPVBQESA-N 0 3 254.352 -1.399 20 0 CAADHN COCCN(CCO)CCCN1C(=O)CNC1=O ZINC000336702735 373246880 /nfs/dbraw/zinc/24/68/80/373246880.db2.gz IBLAQEDVYQEZJO-UHFFFAOYSA-N 0 3 259.306 -1.131 20 0 CAADHN CN(CCN1C(=O)CNC1=O)CC(C)(CO)CO ZINC000336730729 373247353 /nfs/dbraw/zinc/24/73/53/373247353.db2.gz QCZSKLLZSANVPH-UHFFFAOYSA-N 0 3 259.306 -1.539 20 0 CAADHN COCCN(C)CCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336826725 373248996 /nfs/dbraw/zinc/24/89/96/373248996.db2.gz UGGUNPOCRIXKME-GFCCVEGCSA-N 0 3 288.392 -1.220 20 0 CAADHN CNC(=O)[C@@H](C)CN(C)C(=O)CNC(=O)[C@H](N)C(C)C ZINC000336828343 373249616 /nfs/dbraw/zinc/24/96/16/373249616.db2.gz GVGONSOZXZDDTG-GXSJLCMTSA-N 0 3 286.376 -1.074 20 0 CAADHN CN1CCN(C(=O)CCNC2(C(N)=O)CC2)CC1 ZINC000338284406 373278399 /nfs/dbraw/zinc/27/83/99/373278399.db2.gz APDGOKHQSBVRAK-UHFFFAOYSA-N 0 3 254.334 -1.242 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)C[C@@H]1O ZINC000637403140 373252103 /nfs/dbraw/zinc/25/21/03/373252103.db2.gz HWEALNKUQDXBCI-XKNYDFJKSA-N 0 3 270.333 -1.433 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000637440643 373254847 /nfs/dbraw/zinc/25/48/47/373254847.db2.gz OUGPTQVRIACASD-RWMBFGLXSA-N 0 3 298.387 -1.223 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000637439649 373256674 /nfs/dbraw/zinc/25/66/74/373256674.db2.gz BDKSOLHIZZHKMW-NWDGAFQWSA-N 0 3 286.376 -1.317 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000637439648 373256780 /nfs/dbraw/zinc/25/67/80/373256780.db2.gz BDKSOLHIZZHKMW-NEPJUHHUSA-N 0 3 286.376 -1.317 20 0 CAADHN CCN(CCOCCO)Cc1cn(C)c(=O)n(C)c1=O ZINC000337453330 373258825 /nfs/dbraw/zinc/25/88/25/373258825.db2.gz ILKIYIXKMPITPY-UHFFFAOYSA-N 0 3 285.344 -1.085 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000337465002 373259140 /nfs/dbraw/zinc/25/91/40/373259140.db2.gz RMNMPVNMAXCQRD-WCBMZHEXSA-N 0 3 281.378 -1.647 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@](C)(O)CN(C)C ZINC000337465001 373259345 /nfs/dbraw/zinc/25/93/45/373259345.db2.gz RMNMPVNMAXCQRD-SCZZXKLOSA-N 0 3 281.378 -1.647 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC[C@H]2COCCN2C)C[C@@H]1O ZINC000637443757 373259380 /nfs/dbraw/zinc/25/93/80/373259380.db2.gz ZMHVAXALWQQOGH-SRVKXCTJSA-N 0 3 286.376 -1.367 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)C(=O)NCCF ZINC000337535256 373260603 /nfs/dbraw/zinc/26/06/03/373260603.db2.gz HGLKYEBVYLCOLX-MNOVXSKESA-N 0 3 286.351 -1.033 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000337605389 373263508 /nfs/dbraw/zinc/26/35/08/373263508.db2.gz CYKJEUXBCFYQAY-BXKDBHETSA-N 0 3 272.349 -1.171 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CCC[C@H]1C(N)=O ZINC000354150537 373269338 /nfs/dbraw/zinc/26/93/38/373269338.db2.gz UBJUICKXINITNY-VIFPVBQESA-N 0 3 271.317 -1.042 20 0 CAADHN C[C@@H]1CCN(CCNC(=O)C(=O)NCC(=O)N(C)C)C1 ZINC000525839034 373269640 /nfs/dbraw/zinc/26/96/40/373269640.db2.gz UAOAYANIHCIZBD-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)CNCCOC)C1 ZINC000366333122 373289866 /nfs/dbraw/zinc/28/98/66/373289866.db2.gz LKYVQDFORFRNGB-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN COCC[C@@H](CO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000373955237 373293793 /nfs/dbraw/zinc/29/37/93/373293793.db2.gz BPTAWWIOKXIZHM-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@](C)(O)CN(C)C ZINC000339514169 373294607 /nfs/dbraw/zinc/29/46/07/373294607.db2.gz INPGFVDQZYYQKN-SECBINFHSA-N 0 3 282.366 -2.531 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NC2CCN(C)CC2)CC(=O)N1C ZINC000339630890 373294646 /nfs/dbraw/zinc/29/46/46/373294646.db2.gz JFRAMNVVSNJBIJ-JTQLQIEISA-N 0 3 296.371 -1.114 20 0 CAADHN CN1CCC(NC(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000339635652 373295362 /nfs/dbraw/zinc/29/53/62/373295362.db2.gz CMFFLFMFQICJRL-UHFFFAOYSA-N 0 3 268.317 -1.845 20 0 CAADHN CCN1CCC(NC(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000339671856 373295920 /nfs/dbraw/zinc/29/59/20/373295920.db2.gz WKBUYBVOQGDQQV-UHFFFAOYSA-N 0 3 282.344 -1.455 20 0 CAADHN CNC(=O)NCCC(=O)NCCN(C)CCOC ZINC000339757662 373298888 /nfs/dbraw/zinc/29/88/88/373298888.db2.gz LHKGIENIQZPMKW-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN C[C@H](CN1CCN(C)CC1)Nc1nc(N)nc(N)n1 ZINC000623953249 373301867 /nfs/dbraw/zinc/30/18/67/373301867.db2.gz XSRFYGNBGZCYMM-MRVPVSSYSA-N 0 3 266.353 -1.834 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCn2cncn2)CC1=O ZINC000266844076 373318951 /nfs/dbraw/zinc/31/89/51/373318951.db2.gz PNDBPZVNLOMCIB-LLVKDONJSA-N 0 3 294.359 -1.196 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N(C)CC(N)=O)CC1=O ZINC000266836168 373319465 /nfs/dbraw/zinc/31/94/65/373319465.db2.gz MYVQPKNOHSEHOJ-SECBINFHSA-N 0 3 270.333 -1.660 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N(C)CC(N)=O)CC1=O ZINC000266836170 373319598 /nfs/dbraw/zinc/31/95/98/373319598.db2.gz MYVQPKNOHSEHOJ-VIFPVBQESA-N 0 3 270.333 -1.660 20 0 CAADHN COCCN(C)CCNC(=O)Cn1cc(C(=O)OC)nn1 ZINC000266985575 373319752 /nfs/dbraw/zinc/31/97/52/373319752.db2.gz SBZHMBMFUUCUFR-UHFFFAOYSA-N 0 3 299.331 -1.241 20 0 CAADHN CNC(=O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000266835697 373320832 /nfs/dbraw/zinc/32/08/32/373320832.db2.gz NROQHNGDCHNSPS-VIFPVBQESA-N 0 3 270.333 -1.741 20 0 CAADHN CN(C)CCN(C)C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000266980354 373320851 /nfs/dbraw/zinc/32/08/51/373320851.db2.gz PSIYMZFRCXJUPI-UHFFFAOYSA-N 0 3 270.289 -1.573 20 0 CAADHN COCCNCC(=O)N1CCOC[C@@H]1C(=O)OC ZINC000571047935 373280419 /nfs/dbraw/zinc/28/04/19/373280419.db2.gz UYKMFBGXHCMEGT-SECBINFHSA-N 0 3 260.290 -1.377 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638062722 373376614 /nfs/dbraw/zinc/37/66/14/373376614.db2.gz QFMHTJTUQHPKGD-CMPLNLGQSA-N 0 3 284.360 -1.617 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCOC(N)=O)CC1=O ZINC000272182678 373339224 /nfs/dbraw/zinc/33/92/24/373339224.db2.gz CZLOFACNOXBGRY-VIFPVBQESA-N 0 3 286.332 -1.392 20 0 CAADHN CCOC(=O)C(=O)N1CCN(C(=O)[C@@H](C)N)CC1 ZINC000272524831 373340993 /nfs/dbraw/zinc/34/09/93/373340993.db2.gz ZUVWHVKPUUSILK-MRVPVSSYSA-N 0 3 257.290 -1.433 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)NCCN(C)C ZINC000637672628 373343428 /nfs/dbraw/zinc/34/34/28/373343428.db2.gz IDZGCHGNDOUXKP-UHFFFAOYSA-N 0 3 266.367 -1.214 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC000340044886 373346235 /nfs/dbraw/zinc/34/62/35/373346235.db2.gz DFVQZIYLTIWAIJ-LLVKDONJSA-N 0 3 297.359 -1.191 20 0 CAADHN CNC(=O)NC[C@@H]1CN(C(=O)C(=O)NC2CNC2)CCO1 ZINC000627407227 373346245 /nfs/dbraw/zinc/34/62/45/373346245.db2.gz KYVWVZLOQGWTMV-SECBINFHSA-N 0 3 299.331 -2.769 20 0 CAADHN C[C@@H](C(=O)N1CCCNCC1)N1CCNCC1=O ZINC000637801124 373351558 /nfs/dbraw/zinc/35/15/58/373351558.db2.gz IMODHRQVKIBMJG-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCC(=O)N2CCNCC2)O1 ZINC000637813071 373352101 /nfs/dbraw/zinc/35/21/01/373352101.db2.gz JBEMWDNEYRVHSH-GHMZBOCLSA-N 0 3 284.360 -1.747 20 0 CAADHN Cc1cncn1CC(=O)NCC(=O)N1CCNCC1 ZINC000637811932 373352129 /nfs/dbraw/zinc/35/21/29/373352129.db2.gz ZLCNHPAELWLYHT-UHFFFAOYSA-N 0 3 265.317 -1.260 20 0 CAADHN O=C(CNC(=O)[C@@H]1CN2CCC[C@@H]2CO1)N1CCNCC1 ZINC000637812801 373352175 /nfs/dbraw/zinc/35/21/75/373352175.db2.gz CPBJWMDESDCRNI-NEPJUHHUSA-N 0 3 296.371 -1.602 20 0 CAADHN O=C(NCCN1CC[NH2+]CC1)c1cc(=O)[n-]cn1 ZINC000637809916 373352298 /nfs/dbraw/zinc/35/22/98/373352298.db2.gz CVWUJYDKCCGZIM-UHFFFAOYSA-N 0 3 251.290 -1.183 20 0 CAADHN C[C@H](C(=O)N1CCNC[C@@H]1C)N1CCNCC1=O ZINC000637819843 373353278 /nfs/dbraw/zinc/35/32/78/373353278.db2.gz YKHCYTBBIVUMMQ-VHSXEESVSA-N 0 3 254.334 -1.373 20 0 CAADHN Cc1nccn1CC(=O)NCC(=O)N1CCNCC1 ZINC000637810660 373354416 /nfs/dbraw/zinc/35/44/16/373354416.db2.gz NCBGPGIERGMCCD-UHFFFAOYSA-N 0 3 265.317 -1.260 20 0 CAADHN C[C@@H](C(=O)N1CCNC[C@@H]1C)N1CCNCC1=O ZINC000637819842 373354442 /nfs/dbraw/zinc/35/44/42/373354442.db2.gz YKHCYTBBIVUMMQ-UWVGGRQHSA-N 0 3 254.334 -1.373 20 0 CAADHN CO[C@H]1CN[C@@](C)(C(=O)NCC(=O)N2CCNCC2)C1 ZINC000637811075 373354808 /nfs/dbraw/zinc/35/48/08/373354808.db2.gz QBJFZQBURPSUEU-ZWNOBZJWSA-N 0 3 284.360 -1.699 20 0 CAADHN Cn1c(C(=O)N2CCN(C)C[C@H]2CN)c[nH]c1=O ZINC000637863811 373355997 /nfs/dbraw/zinc/35/59/97/373355997.db2.gz HGPZZCFCQSRBGI-MRVPVSSYSA-N 0 3 253.306 -1.159 20 0 CAADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000637881183 373356294 /nfs/dbraw/zinc/35/62/94/373356294.db2.gz DYXUGFFWNXCUDU-WOPDTQHZSA-N 0 3 297.355 -1.048 20 0 CAADHN CN1C(=O)CN(CC(=O)N2CCN(C)C[C@H]2CN)C1=O ZINC000637864964 373356540 /nfs/dbraw/zinc/35/65/40/373356540.db2.gz YPOXCDSQPBZGMS-SECBINFHSA-N 0 3 283.332 -2.018 20 0 CAADHN C[C@@H](C(=O)N1CCN[C@@H](C)C1)N1CCNCC1=O ZINC000637842790 373356658 /nfs/dbraw/zinc/35/66/58/373356658.db2.gz RYYLNZIXUJUJMW-UWVGGRQHSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@H](N)[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 ZINC000637866821 373357670 /nfs/dbraw/zinc/35/76/70/373357670.db2.gz PYMOLHRIKHXNCS-IONNQARKSA-N 0 3 262.331 -1.394 20 0 CAADHN C[C@H](N)[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 ZINC000637866819 373357774 /nfs/dbraw/zinc/35/77/74/373357774.db2.gz PYMOLHRIKHXNCS-CBAPKCEASA-N 0 3 262.331 -1.394 20 0 CAADHN COC[C@]1(C(=O)NCCNS(C)(=O)=O)CCCCN1 ZINC000637903818 373359068 /nfs/dbraw/zinc/35/90/68/373359068.db2.gz DHVJXCCJDCLSMX-NSHDSACASA-N 0 3 293.389 -1.190 20 0 CAADHN CCN[C@@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000637909451 373359103 /nfs/dbraw/zinc/35/91/03/373359103.db2.gz FAEGCTQHOGOJQC-JTQLQIEISA-N 0 3 292.405 -1.065 20 0 CAADHN Cn1cc(NC(=O)CN2CCNCC2)cc1C(N)=O ZINC000637925324 373359414 /nfs/dbraw/zinc/35/94/14/373359414.db2.gz SRDSJSMWRDXYST-UHFFFAOYSA-N 0 3 265.317 -1.032 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000637895312 373359700 /nfs/dbraw/zinc/35/97/00/373359700.db2.gz GFUYVURNIJZSIG-DTWKUNHWSA-N 0 3 277.346 -1.794 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000637896397 373360368 /nfs/dbraw/zinc/36/03/68/373360368.db2.gz NZLBUGBJWYZCBW-GXSJLCMTSA-N 0 3 273.333 -1.286 20 0 CAADHN CCN[C@H](C)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000637909456 373360803 /nfs/dbraw/zinc/36/08/03/373360803.db2.gz FAEGCTQHOGOJQC-SNVBAGLBSA-N 0 3 292.405 -1.065 20 0 CAADHN COCC(=O)N1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000637911605 373360881 /nfs/dbraw/zinc/36/08/81/373360881.db2.gz XIFXUVQOXQMOHD-GXSJLCMTSA-N 0 3 271.317 -1.580 20 0 CAADHN O=C(CN1CCNCC1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000637955313 373362079 /nfs/dbraw/zinc/36/20/79/373362079.db2.gz KGXOZMJNVBTBIL-LBPRGKRZSA-N 0 3 295.387 -1.092 20 0 CAADHN COC[C@@]1(C(=O)N2CCO[C@H](C(N)=O)C2)CCCCN1 ZINC000637971034 373362194 /nfs/dbraw/zinc/36/21/94/373362194.db2.gz UCTBXAAFGUPOSI-GXFFZTMASA-N 0 3 285.344 -1.142 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)[C@@H]1OCC[C@@H]1N ZINC000637931910 373362462 /nfs/dbraw/zinc/36/24/62/373362462.db2.gz SCVWTKPWQFRUQD-GXSJLCMTSA-N 0 3 273.333 -1.334 20 0 CAADHN COC[C@]1(C(=O)N2CCO[C@H](C(N)=O)C2)CCCCN1 ZINC000637971033 373362927 /nfs/dbraw/zinc/36/29/27/373362927.db2.gz UCTBXAAFGUPOSI-GWCFXTLKSA-N 0 3 285.344 -1.142 20 0 CAADHN CCN[C@H](C)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000637932891 373363119 /nfs/dbraw/zinc/36/31/19/373363119.db2.gz BBSGUDHMJNYXPH-SNVBAGLBSA-N 0 3 296.371 -1.066 20 0 CAADHN COC[C@]1(C(=O)NCCN2C(=O)CNC2=O)CCCCN1 ZINC000637997400 373364707 /nfs/dbraw/zinc/36/47/07/373364707.db2.gz CEMAGTQSVFAIDG-ZDUSSCGKSA-N 0 3 298.343 -1.187 20 0 CAADHN C[C@H](CS(C)(=O)=O)N(C)C(=O)CN1CCNCC1 ZINC000637995815 373365191 /nfs/dbraw/zinc/36/51/91/373365191.db2.gz BAFVFWKBYOUCHN-SNVBAGLBSA-N 0 3 277.390 -1.217 20 0 CAADHN CC(C)[C@H]1C(=O)NCCN1C(=O)CN1CCNCC1 ZINC000637979912 373365235 /nfs/dbraw/zinc/36/52/35/373365235.db2.gz PAUCHXHQUCUFFP-LBPRGKRZSA-N 0 3 268.361 -1.125 20 0 CAADHN CC(C)[C@@H]1C(=O)NCCN1C(=O)CN1CCNCC1 ZINC000637979911 373366204 /nfs/dbraw/zinc/36/62/04/373366204.db2.gz PAUCHXHQUCUFFP-GFCCVEGCSA-N 0 3 268.361 -1.125 20 0 CAADHN Cc1nc2n(n1)C[C@@H](NC(=O)CN1CCNCC1)CC2 ZINC000637978544 373366354 /nfs/dbraw/zinc/36/63/54/373366354.db2.gz XEYQBDOKHCBDEI-NSHDSACASA-N 0 3 278.360 -1.077 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000638007918 373367302 /nfs/dbraw/zinc/36/73/02/373367302.db2.gz DBUJDUUEWNLCKD-JTQLQIEISA-N 0 3 290.389 -1.958 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCNCC2)CCS1(=O)=O ZINC000638008748 373367850 /nfs/dbraw/zinc/36/78/50/373367850.db2.gz XBYFFKAODFVWSF-SNVBAGLBSA-N 0 3 275.374 -1.463 20 0 CAADHN CCN[C@@H](C)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000638074321 373379373 /nfs/dbraw/zinc/37/93/73/373379373.db2.gz LNSILABYRZWGON-JTQLQIEISA-N 0 3 277.390 -1.169 20 0 CAADHN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CN1CCNCC1 ZINC000638009996 373368627 /nfs/dbraw/zinc/36/86/27/373368627.db2.gz BQFBSOMJGDDTAI-GHMZBOCLSA-N 0 3 289.401 -1.074 20 0 CAADHN CCS(=O)(=O)C[C@H](C)NC(=O)CN1CCNCC1 ZINC000638004137 373368679 /nfs/dbraw/zinc/36/86/79/373368679.db2.gz YYHYVAJJJRXYHJ-JTQLQIEISA-N 0 3 277.390 -1.169 20 0 CAADHN CC[C@@H](NC(=O)CN1CCNCC1)C(=O)N1CCOCC1 ZINC000638028731 373370114 /nfs/dbraw/zinc/37/01/14/373370114.db2.gz ISXRFEQNVJPAAS-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CC(C)N1C(=O)C[C@H](NC(=O)CN2CCNCC2)C1=O ZINC000638039716 373370235 /nfs/dbraw/zinc/37/02/35/373370235.db2.gz DJZMELFEBRRLOS-JTQLQIEISA-N 0 3 282.344 -1.456 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3OCC[C@@H]3N)CCN2C1=O ZINC000638041186 373371568 /nfs/dbraw/zinc/37/15/68/373371568.db2.gz DHRZREOFSHPMOS-LPEHRKFASA-N 0 3 296.327 -1.403 20 0 CAADHN COCCN(C)CCNC(=O)CN(C)C(=O)COC ZINC000340119981 373371603 /nfs/dbraw/zinc/37/16/03/373371603.db2.gz MFMVWGRWZFZXNP-UHFFFAOYSA-N 0 3 275.349 -1.214 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000340160903 373379146 /nfs/dbraw/zinc/37/91/46/373379146.db2.gz NCISMARHHMSRMK-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN C[C@]1(C(=O)N2CC[C@@H]3OCCN[C@H]3C2)CNCCO1 ZINC000638227654 373401950 /nfs/dbraw/zinc/40/19/50/373401950.db2.gz RBLVWIHVYQMIQC-GMXVVIOVSA-N 0 3 269.345 -1.046 20 0 CAADHN CNC(=O)NC[C@H]1CN(C(=O)CNCCOC)CCO1 ZINC000638501788 373430126 /nfs/dbraw/zinc/43/01/26/373430126.db2.gz UQKXDYRZIWCWTD-JTQLQIEISA-N 0 3 288.348 -1.621 20 0 CAADHN CN1C(=O)CN(CC(=O)NC[C@@H]2C[C@H](F)CN2)C1=O ZINC000638247855 373403506 /nfs/dbraw/zinc/40/35/06/373403506.db2.gz LHKMLBMYTLZCDA-YUMQZZPRSA-N 0 3 272.280 -1.303 20 0 CAADHN CNC(=O)NC[C@H]1CN(C(=O)CNC2CC2)CCO1 ZINC000638501896 373430244 /nfs/dbraw/zinc/43/02/44/373430244.db2.gz VWBBIFOLTUUYCP-JTQLQIEISA-N 0 3 270.333 -1.105 20 0 CAADHN C[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1)N1CCNCC1=O ZINC000638246320 373404337 /nfs/dbraw/zinc/40/43/37/373404337.db2.gz BJQOFUALIWTBNB-UTLUCORTSA-N 0 3 272.324 -1.377 20 0 CAADHN COC(=O)CNC(=O)[C@H](C)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286389944 373404467 /nfs/dbraw/zinc/40/44/67/373404467.db2.gz ZSXPXFBCTPTDQO-HRDYMLBCSA-N 0 3 271.317 -1.283 20 0 CAADHN CO[C@@H]1CN[C@@](C)(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000638279627 373406510 /nfs/dbraw/zinc/40/65/10/373406510.db2.gz UKPNDEHWAVRDCO-GXFFZTMASA-N 0 3 285.344 -1.272 20 0 CAADHN CCN[C@@H](C)C(=O)N1CCN(CC(=O)NC)CC1 ZINC000638274420 373406651 /nfs/dbraw/zinc/40/66/51/373406651.db2.gz PJIDBNUQJHOFGN-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN CC[C@H](N)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 ZINC000638502582 373430495 /nfs/dbraw/zinc/43/04/95/373430495.db2.gz WNTGJQKLNLCKAW-IUCAKERBSA-N 0 3 258.322 -1.120 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](O)[C@@H](O)C2)n1 ZINC000287609961 373408597 /nfs/dbraw/zinc/40/85/97/373408597.db2.gz FZSMPJPNNOUHEJ-IUCAKERBSA-N 0 3 298.347 -1.362 20 0 CAADHN C[C@H](C(=O)NCCOCCN(C)C)N1CCNCC1=O ZINC000638290473 373409674 /nfs/dbraw/zinc/40/96/74/373409674.db2.gz GWBURQQJGGIKSC-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN COCCN1CCCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1=O ZINC000638306129 373411781 /nfs/dbraw/zinc/41/17/81/373411781.db2.gz JFXSAHILNSCIFU-CMPLNLGQSA-N 0 3 285.344 -1.190 20 0 CAADHN CCN1CCCN(C(=O)CN2CCNCC2)CC1=O ZINC000638309416 373412576 /nfs/dbraw/zinc/41/25/76/373412576.db2.gz ZEIKHUMHLAJEJS-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)CN2CCNCC2)O1 ZINC000638314059 373412725 /nfs/dbraw/zinc/41/27/25/373412725.db2.gz HQQOYQQQIPGTCU-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)NC[C@@H]1CN(C(=O)CNCCOC)CCO1 ZINC000638501789 373430684 /nfs/dbraw/zinc/43/06/84/373430684.db2.gz UQKXDYRZIWCWTD-SNVBAGLBSA-N 0 3 288.348 -1.621 20 0 CAADHN C[C@@H](C(=O)NC[C@@H]1CNCCO1)N1CCNCC1=O ZINC000638338531 373416768 /nfs/dbraw/zinc/41/67/68/373416768.db2.gz YKOMXRLFVDURDV-UWVGGRQHSA-N 0 3 270.333 -2.089 20 0 CAADHN CN1CC[C@](C)(C(=O)NC[C@H]2CNCCO2)C1=O ZINC000638338522 373416870 /nfs/dbraw/zinc/41/68/70/373416870.db2.gz YCXLPEMUERFGME-BXKDBHETSA-N 0 3 255.318 -1.041 20 0 CAADHN CCN(C)C(=O)CNC(=O)C(=O)N(C)CCN(C)C ZINC000288673242 373417188 /nfs/dbraw/zinc/41/71/88/373417188.db2.gz BMMVQSIYRLILRZ-UHFFFAOYSA-N 0 3 272.349 -1.399 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000353510420 373417813 /nfs/dbraw/zinc/41/78/13/373417813.db2.gz JFNQEBWOZHBTNK-ZYHUDNBSSA-N 0 3 298.387 -1.229 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405267848 373418173 /nfs/dbraw/zinc/41/81/73/373418173.db2.gz SFXOQRHFCUDKCD-LPEHRKFASA-N 0 3 270.333 -1.419 20 0 CAADHN COC(=O)CC[C@@H](N)C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000288761342 373418219 /nfs/dbraw/zinc/41/82/19/373418219.db2.gz OHGXKBXBAOYLLV-BDAKNGLRSA-N 0 3 299.327 -1.081 20 0 CAADHN CCN[C@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000638409788 373419965 /nfs/dbraw/zinc/41/99/65/373419965.db2.gz SDMYDAKSLZUDQZ-IWSPIJDZSA-N 0 3 264.347 -1.087 20 0 CAADHN CCN1C[C@@H](CNC(=O)CN2CCNCC2)CC1=O ZINC000638390512 373420393 /nfs/dbraw/zinc/42/03/93/373420393.db2.gz MJWWSVHUWZRNES-LLVKDONJSA-N 0 3 268.361 -1.124 20 0 CAADHN Nc1nc(N)nc(NCC(=O)NCC(F)(F)F)n1 ZINC000623872384 373420414 /nfs/dbraw/zinc/42/04/14/373420414.db2.gz DBBUZRVWAJWVDG-UHFFFAOYSA-N 0 3 265.199 -1.791 20 0 CAADHN O=C(CN1CCNCC1)N1CCN([C@@H]2CCOC2)CC1 ZINC000638413716 373420681 /nfs/dbraw/zinc/42/06/81/373420681.db2.gz DOCUNKPBJGTGQL-CYBMUJFWSA-N 0 3 282.388 -1.175 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CN1CCNCC1 ZINC000638409539 373420849 /nfs/dbraw/zinc/42/08/49/373420849.db2.gz PCMPLQCUNVZUOU-NXEZZACHSA-N 0 3 291.373 -2.180 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2N)CCN1S(C)(=O)=O ZINC000638416862 373422129 /nfs/dbraw/zinc/42/21/29/373422129.db2.gz FETOSXAIDHWQFX-KXUCPTDWSA-N 0 3 291.373 -1.405 20 0 CAADHN C[C@@H](C(=O)N1CCOC2(CNC2)C1)N1CCNCC1=O ZINC000638438758 373422495 /nfs/dbraw/zinc/42/24/95/373422495.db2.gz ZOZGJMWBLIGPQE-JTQLQIEISA-N 0 3 282.344 -1.993 20 0 CAADHN C[C@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)N1CCNCC1=O ZINC000638431841 373422561 /nfs/dbraw/zinc/42/25/61/373422561.db2.gz VHUTWPHZHRYSJX-OPRDCNLKSA-N 0 3 272.324 -1.296 20 0 CAADHN CN1CCN(C(=O)CN2CCNCC2)CCC1=O ZINC000638419302 373422938 /nfs/dbraw/zinc/42/29/38/373422938.db2.gz GMEKYYLMTCXZIP-UHFFFAOYSA-N 0 3 254.334 -1.418 20 0 CAADHN CCS(=O)(=O)C1(CNC(=O)CN2CCNCC2)CC1 ZINC000638424198 373423357 /nfs/dbraw/zinc/42/33/57/373423357.db2.gz JIJVNWAELKKHQF-UHFFFAOYSA-N 0 3 289.401 -1.025 20 0 CAADHN CNCC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638475728 373424462 /nfs/dbraw/zinc/42/44/62/373424462.db2.gz CHRGMDWSMSOBOL-UHFFFAOYSA-N 0 3 269.349 -1.625 20 0 CAADHN CC[C@H](N)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638478133 373424908 /nfs/dbraw/zinc/42/49/08/373424908.db2.gz XIRTUYSYMBMFDY-NSHDSACASA-N 0 3 283.376 -1.107 20 0 CAADHN CC(C)[C@@H]1CNCCN1C(=O)CN1CCNCC1=O ZINC000638484805 373425195 /nfs/dbraw/zinc/42/51/95/373425195.db2.gz SWNSIUKANPCEKZ-NSHDSACASA-N 0 3 268.361 -1.125 20 0 CAADHN CC(C)[C@H]1CNCCN1C(=O)CN1CCNCC1=O ZINC000638484804 373425292 /nfs/dbraw/zinc/42/52/92/373425292.db2.gz SWNSIUKANPCEKZ-LLVKDONJSA-N 0 3 268.361 -1.125 20 0 CAADHN CN(C)CC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638480256 373425959 /nfs/dbraw/zinc/42/59/59/373425959.db2.gz JARXVFHNDRHSTF-UHFFFAOYSA-N 0 3 283.376 -1.283 20 0 CAADHN C[C@H](N)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638478023 373426252 /nfs/dbraw/zinc/42/62/52/373426252.db2.gz WBCLDJDTBQLFLI-JTQLQIEISA-N 0 3 269.349 -1.497 20 0 CAADHN C[C@H](N)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000638492795 373426281 /nfs/dbraw/zinc/42/62/81/373426281.db2.gz BKOHMELHPHZQLA-QMMMGPOBSA-N 0 3 261.347 -1.030 20 0 CAADHN COCCNCC(=O)N1CCN(c2nccnn2)CC1 ZINC000638464930 373426303 /nfs/dbraw/zinc/42/63/03/373426303.db2.gz SPXGKTUWWFRELU-UHFFFAOYSA-N 0 3 280.332 -1.244 20 0 CAADHN C[C@@]1(C(=O)NCCCN2CCC[C@H]2C(N)=O)CNCCO1 ZINC000638496517 373427853 /nfs/dbraw/zinc/42/78/53/373427853.db2.gz SMLRXWIMHWBVKO-FZMZJTMJSA-N 0 3 298.387 -1.179 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCOCC2)[C@@H](CN)C1 ZINC000574443328 335020053 /nfs/dbraw/zinc/02/00/53/335020053.db2.gz SUCBGPBXFQQLLS-JTQLQIEISA-N 0 3 270.333 -2.054 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CCNC1=O ZINC000283219633 373380923 /nfs/dbraw/zinc/38/09/23/373380923.db2.gz ZTSGPRNWROYCGG-ZCFIWIBFSA-N 0 3 290.301 -2.055 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)[C@@H]1OCC[C@@H]1N ZINC000638098228 373381188 /nfs/dbraw/zinc/38/11/88/373381188.db2.gz LCUBGBXBEFDTQS-GARJFASQSA-N 0 3 257.334 -1.061 20 0 CAADHN C[C@H]1CN(CCNC(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638089480 373381792 /nfs/dbraw/zinc/38/17/92/373381792.db2.gz AHOGAYXCRWEBHB-GARJFASQSA-N 0 3 257.334 -1.061 20 0 CAADHN O=C(CN1CCNCC1)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000638103515 373384454 /nfs/dbraw/zinc/38/44/54/373384454.db2.gz PRUNZPFCQUTJQI-UONOGXRCSA-N 0 3 296.415 -1.051 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)CN1CCNCC1 ZINC000638099301 373384779 /nfs/dbraw/zinc/38/47/79/373384779.db2.gz SJSKQZRFPQXYCJ-GFCCVEGCSA-N 0 3 270.377 -1.272 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)N1CCNC(=O)C1 ZINC000283760554 373386092 /nfs/dbraw/zinc/38/60/92/373386092.db2.gz PYNWFIKOYMIPND-UHFFFAOYSA-N 0 3 270.333 -1.597 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@H](C)N2CCNCC2=O)C1 ZINC000638098513 373386194 /nfs/dbraw/zinc/38/61/94/373386194.db2.gz BGFJZTDMJMJFHO-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CC1CCN(CCNC(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000340200391 373390852 /nfs/dbraw/zinc/39/08/52/373390852.db2.gz BEGQHDYYBOTQJP-UHFFFAOYSA-N 0 3 296.371 -1.207 20 0 CAADHN CN1CCN(C)[C@@H](CNC(=O)[C@]2(C)CNCCO2)C1 ZINC000638139561 373392983 /nfs/dbraw/zinc/39/29/83/373392983.db2.gz MCJYRUCHTFLNQW-AAEUAGOBSA-N 0 3 270.377 -1.273 20 0 CAADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000638174060 373395700 /nfs/dbraw/zinc/39/57/00/373395700.db2.gz NDOSZACSTUCEPI-LOWVWBTDSA-N 0 3 296.371 -1.475 20 0 CAADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000340216843 373397338 /nfs/dbraw/zinc/39/73/38/373397338.db2.gz BWHXVHQCLICJHE-LLVKDONJSA-N 0 3 296.371 -1.207 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](O)CO)n1 ZINC000286052055 373398317 /nfs/dbraw/zinc/39/83/17/373398317.db2.gz AYCCNVQBUYHJCR-QMMMGPOBSA-N 0 3 286.336 -1.139 20 0 CAADHN CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000638571538 373440275 /nfs/dbraw/zinc/44/02/75/373440275.db2.gz SSSXLXGDHYNXJS-JGVFFNPUSA-N 0 3 254.290 -1.205 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)CCOC1CNC1 ZINC000638611257 373441323 /nfs/dbraw/zinc/44/13/23/373441323.db2.gz NGYLGVWYFNLECD-JTQLQIEISA-N 0 3 257.334 -1.188 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000638609209 373442773 /nfs/dbraw/zinc/44/27/73/373442773.db2.gz FMOYCHBUVWNDBY-QWRGUYRKSA-N 0 3 257.334 -1.188 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C[C@H]1CNCCO1 ZINC000638609207 373443115 /nfs/dbraw/zinc/44/31/15/373443115.db2.gz FMOYCHBUVWNDBY-MNOVXSKESA-N 0 3 257.334 -1.188 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1COCCN1C ZINC000638612097 373444637 /nfs/dbraw/zinc/44/46/37/373444637.db2.gz SJDNXUICQYXALI-JQWIXIFHSA-N 0 3 286.376 -1.467 20 0 CAADHN O=C(NC[C@@H]1COCCN1)[C@H]1CN2CCC[C@H]2CO1 ZINC000638612875 373444919 /nfs/dbraw/zinc/44/49/19/373444919.db2.gz SVTRFMYXGVDNSH-GRYCIOLGSA-N 0 3 269.345 -1.046 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)CN1CCNCC1 ZINC000638611842 373445166 /nfs/dbraw/zinc/44/51/66/373445166.db2.gz QXJOCBORNYOOQC-LLVKDONJSA-N 0 3 256.350 -1.662 20 0 CAADHN C[C@H](CN1CCCC1=O)Nc1nc(N)nc(N)n1 ZINC000623877499 373446033 /nfs/dbraw/zinc/44/60/33/373446033.db2.gz DCNFVSPPIOKUCY-ZCFIWIBFSA-N 0 3 251.294 -1.459 20 0 CAADHN O=C(NC[C@@H]1COCCN1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000638612877 373446126 /nfs/dbraw/zinc/44/61/26/373446126.db2.gz SVTRFMYXGVDNSH-UTUOFQBUSA-N 0 3 269.345 -1.046 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@H]2COCCN2)C1 ZINC000638616017 373446435 /nfs/dbraw/zinc/44/64/35/373446435.db2.gz LFRWVVFLTDINEZ-WDEREUQCSA-N 0 3 257.334 -1.188 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@H]2COCCN2)CC1=O ZINC000638619299 373447319 /nfs/dbraw/zinc/44/73/19/373447319.db2.gz RWYPATVVVACIMD-NEPJUHHUSA-N 0 3 298.387 -1.499 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@H]2COCCN2)CC1=O ZINC000638619302 373448859 /nfs/dbraw/zinc/44/88/59/373448859.db2.gz RWYPATVVVACIMD-RYUDHWBXSA-N 0 3 298.387 -1.499 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H]2COCCN2)CC1=O ZINC000638619303 373449255 /nfs/dbraw/zinc/44/92/55/373449255.db2.gz RWYPATVVVACIMD-VXGBXAGGSA-N 0 3 298.387 -1.499 20 0 CAADHN COCCN(C)CCCNC(=O)C(=O)N(C)CCO ZINC000340585521 373451540 /nfs/dbraw/zinc/45/15/40/373451540.db2.gz YKXSIXJNEPBXQQ-UHFFFAOYSA-N 0 3 275.349 -1.478 20 0 CAADHN NC(=O)C[C@@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000638724467 373460180 /nfs/dbraw/zinc/46/01/80/373460180.db2.gz NYJJAPLUNTXWSY-IYSWYEEDSA-N 0 3 269.223 -1.021 20 0 CAADHN NC(=O)C[C@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000638724111 373460218 /nfs/dbraw/zinc/46/02/18/373460218.db2.gz HSSVITMSIGUGBT-MNOVXSKESA-N 0 3 285.344 -1.142 20 0 CAADHN NC(=O)C[C@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000638724112 373460254 /nfs/dbraw/zinc/46/02/54/373460254.db2.gz HSSVITMSIGUGBT-QWRGUYRKSA-N 0 3 285.344 -1.142 20 0 CAADHN CNS(=O)(=O)CCNC(=O)NC[C@@H]1CCCN1C ZINC000187618961 373460387 /nfs/dbraw/zinc/46/03/87/373460387.db2.gz MASOARYGQWJHPX-VIFPVBQESA-N 0 3 278.378 -1.071 20 0 CAADHN NC(=O)C[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000638724113 373460483 /nfs/dbraw/zinc/46/04/83/373460483.db2.gz HSSVITMSIGUGBT-WDEREUQCSA-N 0 3 285.344 -1.142 20 0 CAADHN NC(=O)C[C@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000638724466 373460663 /nfs/dbraw/zinc/46/06/63/373460663.db2.gz NYJJAPLUNTXWSY-FSPLSTOPSA-N 0 3 269.223 -1.021 20 0 CAADHN CNCC(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000638747718 373461689 /nfs/dbraw/zinc/46/16/89/373461689.db2.gz IEKWZIPFVRDUDV-MRVPVSSYSA-N 0 3 265.335 -2.018 20 0 CAADHN CN[C@@H](C)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000638746411 373462231 /nfs/dbraw/zinc/46/22/31/373462231.db2.gz ACRXIIGHDDJKQT-IUCAKERBSA-N 0 3 279.362 -1.629 20 0 CAADHN CN(C)CCN1CCC(NC(=O)NC(CO)CO)CC1 ZINC000340958866 373462310 /nfs/dbraw/zinc/46/23/10/373462310.db2.gz LNBXTNAOQYGSNH-UHFFFAOYSA-N 0 3 288.392 -1.335 20 0 CAADHN CS(=O)(=O)NC[C@H]1COCCN1C(=O)CNC1CC1 ZINC000638750889 373462481 /nfs/dbraw/zinc/46/24/81/373462481.db2.gz WBMQCGSNZRMDRB-JTQLQIEISA-N 0 3 291.373 -1.485 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCCOC2)n1 ZINC000340985382 373462607 /nfs/dbraw/zinc/46/26/07/373462607.db2.gz STNPVOYHFRSEFX-SNVBAGLBSA-N 0 3 296.375 -1.047 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)NC(CO)CO ZINC000341111053 373464030 /nfs/dbraw/zinc/46/40/30/373464030.db2.gz VSIPXMMDYLZJCZ-NSHDSACASA-N 0 3 275.349 -1.250 20 0 CAADHN CNC(=O)NCC(=O)NCCCN(C)CCOC ZINC000341145576 373464201 /nfs/dbraw/zinc/46/42/01/373464201.db2.gz AZEAKZNJCPBGRN-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN CNC(=O)NCC(=O)N1CCN(CCN(C)C)CC1 ZINC000341168143 373466927 /nfs/dbraw/zinc/46/69/27/373466927.db2.gz LFIWRHQBGILAPN-UHFFFAOYSA-N 0 3 271.365 -1.379 20 0 CAADHN C[C@H](CNC(=O)NC(CO)CO)CN1CCN(C)CC1 ZINC000341241286 373467090 /nfs/dbraw/zinc/46/70/90/373467090.db2.gz QYRRCCFTUVXKGX-LLVKDONJSA-N 0 3 288.392 -1.478 20 0 CAADHN COCCN(C)CCNC(=O)N(C)Cc1nnnn1C ZINC000341332511 373467797 /nfs/dbraw/zinc/46/77/97/373467797.db2.gz VBEBKXLSHNBVQM-UHFFFAOYSA-N 0 3 285.352 -1.070 20 0 CAADHN CCN1CCN([C@H](C)CNS(N)(=O)=O)CC1 ZINC000341551720 373472021 /nfs/dbraw/zinc/47/20/21/373472021.db2.gz RXKFLLWMHCLNOC-SECBINFHSA-N 0 3 250.368 -1.195 20 0 CAADHN C[C@]12CN(C(=O)C[C@H]3CNCCO3)C[C@]1(C)C(=O)NC2=O ZINC000638849671 373482342 /nfs/dbraw/zinc/48/23/42/373482342.db2.gz ZLCFNCSAOPXZIO-CUOATXAZSA-N 0 3 295.339 -1.124 20 0 CAADHN CNC(=O)N[C@@H]1CCN(CCC(=O)NCC(=O)OC)C1 ZINC000342353174 373475003 /nfs/dbraw/zinc/47/50/03/373475003.db2.gz KOWNCOJCRQAVIS-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)CC(N)=O)n1 ZINC000342367344 373477823 /nfs/dbraw/zinc/47/78/23/373477823.db2.gz YQAZLZACKFOLBE-QMMMGPOBSA-N 0 3 297.363 -1.962 20 0 CAADHN CN(C(=O)CN1CCNCC1=O)[C@@H]1CN2CCC1CC2 ZINC000638854022 373478848 /nfs/dbraw/zinc/47/88/48/373478848.db2.gz MSPJPRYYHAKHFA-GFCCVEGCSA-N 0 3 280.372 -1.029 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCNCC2)C1=O ZINC000638826831 373479315 /nfs/dbraw/zinc/47/93/15/373479315.db2.gz VQJVZDIPGJKAEX-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN C[C@]12CN(C(=O)CCOC3CNC3)C[C@@]1(C)C(=O)NC2=O ZINC000638849111 373480300 /nfs/dbraw/zinc/48/03/00/373480300.db2.gz PWBUYKJZKSRZMW-OKILXGFUSA-N 0 3 295.339 -1.124 20 0 CAADHN CCN(CCN)C(=O)CN1CCS(=O)(=O)CC1 ZINC000638519662 373432938 /nfs/dbraw/zinc/43/29/38/373432938.db2.gz YHDGHFKLJJCSRR-UHFFFAOYSA-N 0 3 263.363 -1.476 20 0 CAADHN CCS(=O)(=O)CCCNC(=O)CN1CCNCC1 ZINC000639016717 373494464 /nfs/dbraw/zinc/49/44/64/373494464.db2.gz NRSCFDQKJCUFSW-UHFFFAOYSA-N 0 3 277.390 -1.167 20 0 CAADHN CC[C@@H](N)C(=O)N1CCOC[C@H]1CNC(=O)NC ZINC000639005650 373494526 /nfs/dbraw/zinc/49/45/26/373494526.db2.gz YWLSLJNHKBDSSR-RKDXNWHRSA-N 0 3 258.322 -1.120 20 0 CAADHN CNC(=O)NC[C@H]1COCCN1C(=O)CNCCOC ZINC000639002865 373495403 /nfs/dbraw/zinc/49/54/03/373495403.db2.gz BSZUCDPURPVAPC-JTQLQIEISA-N 0 3 288.348 -1.621 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCN2CCNC(=O)C2)C1 ZINC000563722551 373497686 /nfs/dbraw/zinc/49/76/86/373497686.db2.gz GTHKDXPPLCVVCU-LLVKDONJSA-N 0 3 268.361 -1.124 20 0 CAADHN CNS(=O)(=O)CCNC[C@]1(OC)CCOC1 ZINC000639087528 373497876 /nfs/dbraw/zinc/49/78/76/373497876.db2.gz HZMFSXNMTOASQY-SECBINFHSA-N 0 3 252.336 -1.069 20 0 CAADHN CN(CCNC(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1)C1CC1 ZINC000343307505 373500795 /nfs/dbraw/zinc/50/07/95/373500795.db2.gz TXLLRISGCCOSSC-CQSZACIVSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(CCNC(=O)C(=O)N[C@H]1CCCN(C)C1=O)C1CC1 ZINC000343307503 373501064 /nfs/dbraw/zinc/50/10/64/373501064.db2.gz TXJNDPVVCIUFAS-NSHDSACASA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)C[C@@H](CO)O1 ZINC000343316291 373501175 /nfs/dbraw/zinc/50/11/75/373501175.db2.gz ZEEYDOFKSHXWPK-PWSUYJOCSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)C[C@H](CO)O1 ZINC000343316289 373501187 /nfs/dbraw/zinc/50/11/87/373501187.db2.gz ZEEYDOFKSHXWPK-CMPLNLGQSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@H](NC1CC1)C(=O)NCCN1C(=O)CNC1=O ZINC000574986768 373501449 /nfs/dbraw/zinc/50/14/49/373501449.db2.gz ZNZOPTHMCYBVPG-ZETCQYMHSA-N 0 3 254.290 -1.205 20 0 CAADHN O=C(N[C@@H]1CCC(=O)NC1)[C@H]1CN2CCN1CCC2 ZINC000343345888 373504583 /nfs/dbraw/zinc/50/45/83/373504583.db2.gz RJBZMCNORNIHIL-GHMZBOCLSA-N 0 3 266.345 -1.229 20 0 CAADHN O=C1CNC(=O)N1CCN1CCC2(CC1)NC(=O)NC2=O ZINC001193011819 781961402 /nfs/dbraw/zinc/96/14/02/781961402.db2.gz LXBCEIDETNCXPG-UHFFFAOYSA-N 0 3 295.299 -1.788 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CCn1ncn(C)c1=O ZINC000343556744 373509497 /nfs/dbraw/zinc/50/94/97/373509497.db2.gz LGYRBRVFFBFBMM-LBPRGKRZSA-N 0 3 285.348 -1.599 20 0 CAADHN CN1CCN(C)[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000343620982 373509872 /nfs/dbraw/zinc/50/98/72/373509872.db2.gz JAYLGWMIUIKQGY-KGLIPLIRSA-N 0 3 295.431 -1.262 20 0 CAADHN COC(=O)[C@](C)(O)CN(CCO)CCN1CCOCC1 ZINC000343758990 373512445 /nfs/dbraw/zinc/51/24/45/373512445.db2.gz PGOXMTOKILKIBV-CYBMUJFWSA-N 0 3 290.360 -1.463 20 0 CAADHN CN(C)S(=O)(=O)NCCN[C@H]1CCCNC(=O)C1 ZINC000639163669 373512564 /nfs/dbraw/zinc/51/25/64/373512564.db2.gz IZWPGVJZQDKIGF-VIFPVBQESA-N 0 3 278.378 -1.359 20 0 CAADHN COC(=O)[C@@](C)(O)CN(CCO)CCN1CCOCC1 ZINC000343758991 373513143 /nfs/dbraw/zinc/51/31/43/373513143.db2.gz PGOXMTOKILKIBV-ZDUSSCGKSA-N 0 3 290.360 -1.463 20 0 CAADHN CNc1nc(NC[C@@H](C)CO)nc(NC[C@H](C)CO)n1 ZINC000343927768 373516798 /nfs/dbraw/zinc/51/67/98/373516798.db2.gz UJYBFSJWIBNYEX-DTORHVGOSA-N 0 3 284.364 -1.740 20 0 CAADHN CNc1nc(NCC(C)(C)O)nc(NCC(C)(C)O)n1 ZINC000343835176 373517565 /nfs/dbraw/zinc/51/75/65/373517565.db2.gz TVJOUTPSYFSORZ-UHFFFAOYSA-N 0 3 284.364 -1.455 20 0 CAADHN CNc1nc(NC[C@H](C)O)nc(NC[C@H](C)O)n1 ZINC000343798251 373517899 /nfs/dbraw/zinc/51/78/99/373517899.db2.gz ZLUPUOMCOJJAHF-BQBZGAKWSA-N 0 3 256.310 -2.236 20 0 CAADHN COCCN(CCN(C)C)C(=O)CN1CCOCC1=O ZINC000344407591 373523025 /nfs/dbraw/zinc/52/30/25/373523025.db2.gz NZBRDGFSINJWLC-UHFFFAOYSA-N 0 3 287.360 -1.118 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CS(=O)(=O)N(C)C ZINC000345162906 373525965 /nfs/dbraw/zinc/52/59/65/373525965.db2.gz KGFXMRPYDITLRI-SNVBAGLBSA-N 0 3 281.378 -1.693 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)NCCN1CCCCC1 ZINC000345214329 373527021 /nfs/dbraw/zinc/52/70/21/373527021.db2.gz IDEDWPFDKCZNAF-SECBINFHSA-N 0 3 258.322 -1.382 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCC(=O)NC2)CC1=O ZINC000345245565 373527605 /nfs/dbraw/zinc/52/76/05/373527605.db2.gz NIXRWPBDUDTDTI-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCC(=O)NC2)CC1=O ZINC000345245566 373528863 /nfs/dbraw/zinc/52/88/63/373528863.db2.gz NIXRWPBDUDTDTI-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)NC[C@H]1COCCN1C ZINC000627411801 373486107 /nfs/dbraw/zinc/48/61/07/373486107.db2.gz UBBDEJVAAWZSGD-BDAKNGLRSA-N 0 3 258.322 -2.103 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC000330655602 373489099 /nfs/dbraw/zinc/48/90/99/373489099.db2.gz UCMXKHWQJDFEIW-JTQLQIEISA-N 0 3 293.389 -1.285 20 0 CAADHN CCN(C(=O)CNS(=O)(=O)NC)[C@H]1CCN(C)C1 ZINC000617550959 373579260 /nfs/dbraw/zinc/57/92/60/373579260.db2.gz IKSRUBOFRFJCLS-VIFPVBQESA-N 0 3 278.378 -1.407 20 0 CAADHN CCN(C(=O)CNS(=O)(=O)N(C)C)[C@@H]1CCN(C)C1 ZINC000617551429 373580517 /nfs/dbraw/zinc/58/05/17/373580517.db2.gz RJZVUUDBEMJQTM-SNVBAGLBSA-N 0 3 292.405 -1.065 20 0 CAADHN CCN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H]1CCN(C)C1 ZINC000617554816 373581924 /nfs/dbraw/zinc/58/19/24/373581924.db2.gz KCNDTWXDQYGSRK-VIFPVBQESA-N 0 3 296.327 -1.040 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1C[C@H](O)C[C@H]1CO ZINC000352033933 373582075 /nfs/dbraw/zinc/58/20/75/373582075.db2.gz XAIIMUYSIRCWSY-VHSXEESVSA-N 0 3 274.317 -1.565 20 0 CAADHN CCN(C(=O)CNC(=O)CNC(C)=O)[C@H]1CCN(C)C1 ZINC000617557845 373582183 /nfs/dbraw/zinc/58/21/83/373582183.db2.gz USEFJQYNBHALJG-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CCN(C)C1 ZINC000617562107 373583056 /nfs/dbraw/zinc/58/30/56/373583056.db2.gz AWWCWLUCSVJVAJ-VIFPVBQESA-N 0 3 280.332 -1.070 20 0 CAADHN CN(CC(=O)N1CCNC(=O)C1)C[C@@H]1CCCN1C ZINC000333766796 373588029 /nfs/dbraw/zinc/58/80/29/373588029.db2.gz DOUAJZISDOEBDL-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000333998716 373588275 /nfs/dbraw/zinc/58/82/75/373588275.db2.gz PTARZRRODUSDNI-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CN(C[C@H](O)CN(C)[C@H]1COC[C@H]1O)[C@@H]1COC[C@@H]1O ZINC000352791837 373590438 /nfs/dbraw/zinc/59/04/38/373590438.db2.gz JHGGHQALQPGABA-YOTBANQPSA-N 0 3 290.360 -2.270 20 0 CAADHN CN(CC(O)CN(C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352791834 373590588 /nfs/dbraw/zinc/59/05/88/373590588.db2.gz JHGGHQALQPGABA-NDBYEHHHSA-N 0 3 290.360 -2.270 20 0 CAADHN COC(=O)CN(C)C(=O)CCN(C)[C@@H]1COC[C@@H]1O ZINC000352813531 373590819 /nfs/dbraw/zinc/59/08/19/373590819.db2.gz DGEFYDQHNTWTOB-ZJUUUORDSA-N 0 3 274.317 -1.301 20 0 CAADHN Nc1nc(N)nc(NC[C@@H](O)COCC2CC2)n1 ZINC000623912967 373594154 /nfs/dbraw/zinc/59/41/54/373594154.db2.gz ZXNJDHBMNYPCBH-SSDOTTSWSA-N 0 3 254.294 -1.682 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)CCN1C ZINC000348029313 373543181 /nfs/dbraw/zinc/54/31/81/373543181.db2.gz VZDBWBMDGMOLAS-MXWKQRLJSA-N 0 3 296.371 -1.068 20 0 CAADHN CN1CCN(C(=O)CCN2CC[C@@](O)(C(N)=O)C2)CC1 ZINC000348200783 373544537 /nfs/dbraw/zinc/54/45/37/373544537.db2.gz GVFRZXGLQYXTQH-ZDUSSCGKSA-N 0 3 284.360 -1.927 20 0 CAADHN CC(C)COC[C@@H](O)CN1CC[C@](O)(C(N)=O)C1 ZINC000348204468 373545175 /nfs/dbraw/zinc/54/51/75/373545175.db2.gz SVHGEPIRGBENQA-CMPLNLGQSA-N 0 3 260.334 -1.058 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000348230128 373545193 /nfs/dbraw/zinc/54/51/93/373545193.db2.gz LDGYJCCZRIXSPF-ZJUUUORDSA-N 0 3 288.348 -2.021 20 0 CAADHN CN1CCN(C(=O)CCN2CC[C@](O)(C(N)=O)C2)CC1 ZINC000348200779 373546037 /nfs/dbraw/zinc/54/60/37/373546037.db2.gz GVFRZXGLQYXTQH-CYBMUJFWSA-N 0 3 284.360 -1.927 20 0 CAADHN CC(C)(O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000348327015 373548439 /nfs/dbraw/zinc/54/84/39/373548439.db2.gz ZEUKEXRVMDIPDC-MNOVXSKESA-N 0 3 292.401 -1.155 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000348525398 373550330 /nfs/dbraw/zinc/55/03/30/373550330.db2.gz HAGWVNQEENLNED-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000348525397 373550915 /nfs/dbraw/zinc/55/09/15/373550915.db2.gz HAGWVNQEENLNED-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN CN1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H](CN)C1 ZINC000583500569 373551180 /nfs/dbraw/zinc/55/11/80/373551180.db2.gz JAZLNGWKZSAEBL-SECBINFHSA-N 0 3 281.316 -1.950 20 0 CAADHN C[C@@H](CC[NH3+])NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000349919891 373555581 /nfs/dbraw/zinc/55/55/81/373555581.db2.gz XRBUDCMCMVEYEL-QMMMGPOBSA-N 0 3 289.361 -1.448 20 0 CAADHN C[C@H](CC[NH3+])NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000349919890 373556534 /nfs/dbraw/zinc/55/65/34/373556534.db2.gz XRBUDCMCMVEYEL-MRVPVSSYSA-N 0 3 289.361 -1.448 20 0 CAADHN NS(=O)(=O)CCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000535716927 373557917 /nfs/dbraw/zinc/55/79/17/373557917.db2.gz GCWBYMOEBQKSHM-JTQLQIEISA-N 0 3 290.389 -1.829 20 0 CAADHN CC(C(=O)N(C)[C@@H]1COC[C@H]1O)S(C)(=O)=O ZINC000582198261 373558701 /nfs/dbraw/zinc/55/87/01/373558701.db2.gz SJRYWTAXZIVJGE-XLPZGREQSA-N 0 3 251.304 -1.362 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)C(=O)N(C)C ZINC000535723229 373558966 /nfs/dbraw/zinc/55/89/66/373558966.db2.gz NPYIPVJABFFLJL-GHMZBOCLSA-N 0 3 268.361 -1.031 20 0 CAADHN COCCN1CC[C@@H](NC(=O)NCCC(N)=O)C1 ZINC000349938072 373559600 /nfs/dbraw/zinc/55/96/00/373559600.db2.gz UKRQSCVHEGAJTF-SECBINFHSA-N 0 3 258.322 -1.118 20 0 CAADHN O=C(NC[C@H]1CN2CCN1CC2)[C@H]1CN2CCN1CCC2 ZINC000536548530 373561555 /nfs/dbraw/zinc/56/15/55/373561555.db2.gz JLCRIIZYVTZYIT-UONOGXRCSA-N 0 3 293.415 -1.508 20 0 CAADHN COCC1(O)CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000383955639 373561670 /nfs/dbraw/zinc/56/16/70/373561670.db2.gz DHAVCJNJBMWVEG-SSDOTTSWSA-N 0 3 251.304 -1.361 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CN2CCN1CCC2)S(N)(=O)=O ZINC000535784844 373561980 /nfs/dbraw/zinc/56/19/80/373561980.db2.gz KTHSSHXNISNMKY-VHSXEESVSA-N 0 3 290.389 -1.831 20 0 CAADHN O=C(NC[C@@H]1CN2CCN1CC2)[C@@H]1CN2CCN1CCC2 ZINC000536548529 373562332 /nfs/dbraw/zinc/56/23/32/373562332.db2.gz JLCRIIZYVTZYIT-KGLIPLIRSA-N 0 3 293.415 -1.508 20 0 CAADHN COC[C@@H](O)CN1CCN(Cc2nnc[nH]2)CC1 ZINC000639722380 373595696 /nfs/dbraw/zinc/59/56/96/373595696.db2.gz ZJDJQVDOVUBNLC-JTQLQIEISA-N 0 3 255.322 -1.070 20 0 CAADHN COCCCN(C)CCNC(=O)NCCS(N)(=O)=O ZINC000608641399 373566906 /nfs/dbraw/zinc/56/69/06/373566906.db2.gz SYJAIPRDUMTQEY-UHFFFAOYSA-N 0 3 296.393 -1.458 20 0 CAADHN CN(C(=O)[C@H]1CN2CCN1CCC2)[C@@H]1COC[C@H]1O ZINC000329381089 373567835 /nfs/dbraw/zinc/56/78/35/373567835.db2.gz NOOJXRNBGSLAON-IJLUTSLNSA-N 0 3 269.345 -1.406 20 0 CAADHN COC(=O)C[C@@H]1CCCN1C(=O)C(=O)NC1CNC1 ZINC000520551199 373568779 /nfs/dbraw/zinc/56/87/79/373568779.db2.gz VUOYQNZTHWILEW-VIFPVBQESA-N 0 3 269.301 -1.372 20 0 CAADHN CN(C[C@@H](O)CN1CCO[C@@H](C(N)=O)C1)C1CC1 ZINC000351438232 373572089 /nfs/dbraw/zinc/57/20/89/373572089.db2.gz DLPOANUIVLFARB-GHMZBOCLSA-N 0 3 257.334 -1.372 20 0 CAADHN COC(=O)[C@@H]1CNC(=O)CN1C(=O)C(C)S(C)(=O)=O ZINC000330990543 373575488 /nfs/dbraw/zinc/57/54/88/373575488.db2.gz SELZKLIFSJUMQL-BQBZGAKWSA-N 0 3 292.313 -2.081 20 0 CAADHN OCC1(CN2CCN(Cc3nnc[nH]3)CC2)COC1 ZINC000639721292 373596321 /nfs/dbraw/zinc/59/63/21/373596321.db2.gz OQWSMBOEMKQMNM-UHFFFAOYSA-N 0 3 267.333 -1.069 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)[C@@]1(CO)CCOC1 ZINC000329684398 373577464 /nfs/dbraw/zinc/57/74/64/373577464.db2.gz YCHUODAFTVHWRI-CHWSQXEVSA-N 0 3 274.361 -1.237 20 0 CAADHN CN(C)CC1(NC(=O)c2cn(CC(N)=O)nn2)CCC1 ZINC000351624517 373577673 /nfs/dbraw/zinc/57/76/73/373577673.db2.gz NOQCRPABIFVNDZ-UHFFFAOYSA-N 0 3 280.332 -1.023 20 0 CAADHN CN(CCNC(=O)N1CCO[C@@H](C(N)=O)C1)C1CC1 ZINC000369243501 373623231 /nfs/dbraw/zinc/62/32/31/373623231.db2.gz MYZOTHFVTMBMIO-SNVBAGLBSA-N 0 3 270.333 -1.024 20 0 CAADHN CN1C[C@@H]2CCCN(CC(=O)N3CCNC(=O)C3)[C@@H]2C1 ZINC000582297665 373624694 /nfs/dbraw/zinc/62/46/94/373624694.db2.gz RUNRTXBPFYJEIX-NWDGAFQWSA-N 0 3 280.372 -1.029 20 0 CAADHN Cn1ccnc(NC(=O)NCCN2CC[C@H](O)C2)c1=O ZINC000626479659 373625116 /nfs/dbraw/zinc/62/51/16/373625116.db2.gz NUPLOKGEOAVYID-VIFPVBQESA-N 0 3 281.316 -1.032 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NC2CNC2)C[C@@H](CO)O1 ZINC000582291322 373626537 /nfs/dbraw/zinc/62/65/37/373626537.db2.gz FCRHHSPRDDMYCR-CBAPKCEASA-N 0 3 257.290 -2.317 20 0 CAADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](CN)OC)C1 ZINC000582358350 373627950 /nfs/dbraw/zinc/62/79/50/373627950.db2.gz SRIPPNJQXWVUSE-DTWKUNHWSA-N 0 3 279.362 -1.500 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](CN)OC)C1 ZINC000582358352 373628074 /nfs/dbraw/zinc/62/80/74/373628074.db2.gz SRIPPNJQXWVUSE-RKDXNWHRSA-N 0 3 279.362 -1.500 20 0 CAADHN CCN1CCN(C(=O)CNc2nc(N)nc(N)n2)CC1 ZINC000623935828 373628765 /nfs/dbraw/zinc/62/87/65/373628765.db2.gz ROIOUQKAXPBMOO-UHFFFAOYSA-N 0 3 280.336 -2.305 20 0 CAADHN COC(=O)CNC(=O)CCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374164536 373630518 /nfs/dbraw/zinc/63/05/18/373630518.db2.gz RYJQTOGFLHZUMV-NXEZZACHSA-N 0 3 283.328 -1.124 20 0 CAADHN CCN1C[C@@H](NC[C@H](O)CN2CCOCC2)CC1=O ZINC000391611943 373630913 /nfs/dbraw/zinc/63/09/13/373630913.db2.gz DCROXZKZNKFBPJ-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN CCN1C[C@H](NC[C@H](O)CN2CCOCC2)CC1=O ZINC000391611935 373631156 /nfs/dbraw/zinc/63/11/56/373631156.db2.gz DCROXZKZNKFBPJ-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN CS(=O)(=O)NCCCNC(=O)[C@]1(F)CCNC1 ZINC000376528038 373632609 /nfs/dbraw/zinc/63/26/09/373632609.db2.gz MGNCJCQHSVTUNT-VIFPVBQESA-N 0 3 267.326 -1.257 20 0 CAADHN Nc1nc(N)nc(N2CCN([C@H]3CCC[C@H]3O)CC2)n1 ZINC000623937021 373635155 /nfs/dbraw/zinc/63/51/55/373635155.db2.gz RLTLDATWOCSVIM-DTWKUNHWSA-N 0 3 279.348 -1.268 20 0 CAADHN CNCC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000186637177 373637268 /nfs/dbraw/zinc/63/72/68/373637268.db2.gz RTCYRBKYXYFXLP-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN CC(C)[C@@H](N)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C ZINC000223671835 373637471 /nfs/dbraw/zinc/63/74/71/373637471.db2.gz BBSVQVZMJIIZFR-ZJUUUORDSA-N 0 3 272.349 -1.288 20 0 CAADHN COC[C@@H](NC(=O)C[C@@H]1CNCCO1)C(=O)OC ZINC000584409799 373639862 /nfs/dbraw/zinc/63/98/62/373639862.db2.gz RACWGMJRKOKXAB-RKDXNWHRSA-N 0 3 260.290 -1.331 20 0 CAADHN CC[C@@H](N)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000583813447 373640886 /nfs/dbraw/zinc/64/08/86/373640886.db2.gz SFEJPKFEDJEDMR-SFYZADRCSA-N 0 3 257.290 -1.386 20 0 CAADHN C[C@@]12CN(CC(=O)N3CCNC3=O)C[C@@]1(C)C(=O)NC2=O ZINC000639949114 373642536 /nfs/dbraw/zinc/64/25/36/373642536.db2.gz IARSCGXQOFPTLO-STQMWFEESA-N 0 3 294.311 -1.477 20 0 CAADHN CN1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)[C@@H](CN)C1 ZINC000584468871 373642762 /nfs/dbraw/zinc/64/27/62/373642762.db2.gz WUQJYKJMAXBKPQ-QWRGUYRKSA-N 0 3 268.361 -1.044 20 0 CAADHN CNS(=O)(=O)CCCN[C@@](C)(CO)COC ZINC000639955200 373642926 /nfs/dbraw/zinc/64/29/26/373642926.db2.gz KVIRNQISCHBCIE-VIFPVBQESA-N 0 3 254.352 -1.087 20 0 CAADHN CCS(=O)(=O)NCCN[C@](C)(CO)COC ZINC000639956125 373643049 /nfs/dbraw/zinc/64/30/49/373643049.db2.gz UQMXCWKGMQBESH-SECBINFHSA-N 0 3 254.352 -1.087 20 0 CAADHN COC[C@](C)(CO)NCCN1C(=O)N[C@@H](C)C1=O ZINC000639956271 373643219 /nfs/dbraw/zinc/64/32/19/373643219.db2.gz DIAXZXLTSWMAHR-KWQFWETISA-N 0 3 259.306 -1.086 20 0 CAADHN COC[C@@](C)(CO)NCCN1C(=O)N[C@H](C)C1=O ZINC000639956272 373643487 /nfs/dbraw/zinc/64/34/87/373643487.db2.gz DIAXZXLTSWMAHR-LDYMZIIASA-N 0 3 259.306 -1.086 20 0 CAADHN C[C@@]12CN(CC(=O)N3CCOCC3)C[C@@]1(C)C(=O)NC2=O ZINC000639952566 373643613 /nfs/dbraw/zinc/64/36/13/373643613.db2.gz UHAJKSOHQQPXBK-KBPBESRZSA-N 0 3 295.339 -1.170 20 0 CAADHN CC(C)NC(=O)NCCN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000584526785 373645172 /nfs/dbraw/zinc/64/51/72/373645172.db2.gz IEKCQRWPDCETLZ-DTORHVGOSA-N 0 3 268.317 -1.102 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCCC(=O)N2)C[C@@H]1O ZINC000584539487 373645367 /nfs/dbraw/zinc/64/53/67/373645367.db2.gz TZMFZFPWJHZWEH-UTLUCORTSA-N 0 3 255.318 -1.212 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1C[C@H](O)C[C@H](O)C1 ZINC000610604466 373645505 /nfs/dbraw/zinc/64/55/05/373645505.db2.gz UGIVXSSOBFZRGZ-AOOOYVTPSA-N 0 3 274.317 -1.565 20 0 CAADHN CCN1C(=O)[C@H]2CN(CCC(=O)NC(N)=O)CCN2C1=O ZINC000610605705 373646129 /nfs/dbraw/zinc/64/61/29/373646129.db2.gz VTWBVOZLABEVGG-MRVPVSSYSA-N 0 3 297.315 -1.460 20 0 CAADHN CO[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000583866171 373646473 /nfs/dbraw/zinc/64/64/73/373646473.db2.gz ZKURLYZMDVEUJM-VXGBXAGGSA-N 0 3 298.387 -1.275 20 0 CAADHN CC(C)OC[C@H](O)CNCCNS(C)(=O)=O ZINC000037891337 373647454 /nfs/dbraw/zinc/64/74/54/373647454.db2.gz NGIXNQYMSBSHIK-SECBINFHSA-N 0 3 254.352 -1.089 20 0 CAADHN O=C(CCN1CCn2c(n[nH]c2=O)C1)N1CCNCC1 ZINC000584720102 373651203 /nfs/dbraw/zinc/65/12/03/373651203.db2.gz FGLJYOBWDJDALX-UHFFFAOYSA-N 0 3 280.332 -1.379 20 0 CAADHN CC[C@@H](COC)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000584770176 373652733 /nfs/dbraw/zinc/65/27/33/373652733.db2.gz YHFQMMOXEJJKNU-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN COC(=O)[C@H]1CNC(=O)CN1C(=O)C1CCN(C)CC1 ZINC000344914977 284409555 /nfs/dbraw/zinc/40/95/55/284409555.db2.gz UJZFEFMJGIPSDM-SNVBAGLBSA-N 0 3 283.328 -1.172 20 0 CAADHN O=C(CN1CCCC1=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000563956779 373598191 /nfs/dbraw/zinc/59/81/91/373598191.db2.gz RRIMZGUNTGYYOA-UHFFFAOYSA-N 0 3 293.331 -1.225 20 0 CAADHN CO[C@H](CN)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O ZINC000353019012 373598830 /nfs/dbraw/zinc/59/88/30/373598830.db2.gz ZNQPYDVXYJGDJT-IVZWLZJFSA-N 0 3 293.389 -1.206 20 0 CAADHN CC(C)CN1CCO[C@@H](CNC(=O)[C@H](N)CC(N)=O)C1 ZINC000353083045 373601117 /nfs/dbraw/zinc/60/11/17/373601117.db2.gz CYYCIEXIHMCUSV-WDEREUQCSA-N 0 3 286.376 -1.338 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)[C@@H](CO)NC(N)=O ZINC000354043519 373602958 /nfs/dbraw/zinc/60/29/58/373602958.db2.gz NTAATMYDBXWXRT-SECBINFHSA-N 0 3 258.322 -1.432 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N(C)C[C@@H](O)CO)CC1=O ZINC000353977275 373604262 /nfs/dbraw/zinc/60/42/62/373604262.db2.gz UYEOMWRPOMMTRQ-GHMZBOCLSA-N 0 3 287.360 -1.792 20 0 CAADHN Cc1nn(CC(=O)N2CCO[C@H](CN(C)C)C2)c(=O)o1 ZINC000639769932 373604783 /nfs/dbraw/zinc/60/47/83/373604783.db2.gz YDTPGXRDYBOQIZ-SNVBAGLBSA-N 0 3 284.316 -1.066 20 0 CAADHN CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(C)C2=O)C1 ZINC000354054723 373605509 /nfs/dbraw/zinc/60/55/09/373605509.db2.gz VBVYWQWDSNZMLT-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CCC[C@@H]1C(N)=O ZINC000354150536 373606555 /nfs/dbraw/zinc/60/65/55/373606555.db2.gz UBJUICKXINITNY-SECBINFHSA-N 0 3 271.317 -1.042 20 0 CAADHN CN(C)[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(C)C2=O)C1 ZINC000354054725 373607054 /nfs/dbraw/zinc/60/70/54/373607054.db2.gz VBVYWQWDSNZMLT-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000354053747 373607092 /nfs/dbraw/zinc/60/70/92/373607092.db2.gz QCCBSXUZHCPMNT-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN CCN1CC[C@@H]2OCCN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC000355297774 373608299 /nfs/dbraw/zinc/60/82/99/373608299.db2.gz HLUZNRRCZQFJPI-ZJUUUORDSA-N 0 3 270.333 -1.024 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000367194243 373609864 /nfs/dbraw/zinc/60/98/64/373609864.db2.gz BAEXVMBJCAQVRC-LBPRGKRZSA-N 0 3 266.345 -1.277 20 0 CAADHN Nc1nc(N)nc(N2CCC[C@H](OCCO)C2)n1 ZINC000623974575 373611972 /nfs/dbraw/zinc/61/19/72/373611972.db2.gz ISLWRJRWAMXYLP-ZETCQYMHSA-N 0 3 254.294 -1.326 20 0 CAADHN CNS(=O)(=O)CCCN1C[C@@H](O)C[C@]1(C)CO ZINC000639852959 373614951 /nfs/dbraw/zinc/61/49/51/373614951.db2.gz WSYAHLADSKJRMZ-VHSXEESVSA-N 0 3 266.363 -1.257 20 0 CAADHN C[C@]1(CO)C[C@H](O)CN1C[C@@H](O)CN1CCOCC1 ZINC000639858046 373615454 /nfs/dbraw/zinc/61/54/54/373615454.db2.gz WZAIPCRQKURFCQ-RWMBFGLXSA-N 0 3 274.361 -1.503 20 0 CAADHN CCS(=O)(=O)NCCNc1nc(N)nc(N)n1 ZINC000623926885 373615484 /nfs/dbraw/zinc/61/54/84/373615484.db2.gz SGSICYWUTDXICS-UHFFFAOYSA-N 0 3 261.311 -2.530 20 0 CAADHN COCCN(C)CCNC(=O)C(=O)N(C)CCN(C)C ZINC000358557350 373617715 /nfs/dbraw/zinc/61/77/15/373617715.db2.gz HRLXKBCXNQPXFO-UHFFFAOYSA-N 0 3 288.392 -1.299 20 0 CAADHN CN1CCC[C@@H](N2CCN(S(N)(=O)=O)CC2)C1 ZINC000362946290 373621233 /nfs/dbraw/zinc/62/12/33/373621233.db2.gz WSLURAPAIJDJKT-SNVBAGLBSA-N 0 3 262.379 -1.098 20 0 CAADHN CN(CCN1CCCC1)CC(=O)N1CCNC(=O)C1 ZINC000089899903 373709665 /nfs/dbraw/zinc/70/96/65/373709665.db2.gz IUYWVEFNNUMBFJ-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN COC(=O)[C@H]1CNC(=O)CN1C(=O)/C=C\CN(C)C ZINC000492668668 284409710 /nfs/dbraw/zinc/40/97/10/284409710.db2.gz CKUYKHAIOWRPLI-XRVBUDJMSA-N 0 3 269.301 -1.396 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)c1nc2n(n1)CCCN2 ZINC000612872310 373714949 /nfs/dbraw/zinc/71/49/49/373714949.db2.gz VPSVAWMGYHHIAI-LBPRGKRZSA-N 0 3 282.348 -1.606 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000227367569 373660052 /nfs/dbraw/zinc/66/00/52/373660052.db2.gz NKVGDSUAAWKLPR-VIFPVBQESA-N 0 3 258.322 -1.214 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@@H](CN)OC)CC1 ZINC000227362781 373660133 /nfs/dbraw/zinc/66/01/33/373660133.db2.gz LCSYOTMBTVYXOY-SECBINFHSA-N 0 3 258.322 -2.150 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NC(C)(C)CC(N)=O ZINC000227066762 373660316 /nfs/dbraw/zinc/66/03/16/373660316.db2.gz DARJDFCFIPXIMV-JTQLQIEISA-N 0 3 272.349 -1.144 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@H](CN)OC)CC1 ZINC000227362786 373661094 /nfs/dbraw/zinc/66/10/94/373661094.db2.gz LCSYOTMBTVYXOY-VIFPVBQESA-N 0 3 258.322 -2.150 20 0 CAADHN CN1CCN(S(=O)(=O)N2CCCC2)[C@@H](CN)C1 ZINC000226618367 373661627 /nfs/dbraw/zinc/66/16/27/373661627.db2.gz CLOVQULDGXZTFX-JTQLQIEISA-N 0 3 262.379 -1.098 20 0 CAADHN COC[C@@H](CCO)NC[C@H](O)CN1CCOCC1 ZINC000228349839 373661676 /nfs/dbraw/zinc/66/16/76/373661676.db2.gz WOOAIZOXIRHBQG-NEPJUHHUSA-N 0 3 262.350 -1.334 20 0 CAADHN NC(=O)[C@@H](O)CNC[C@H](O)COc1ccccc1 ZINC000228689805 373663792 /nfs/dbraw/zinc/66/37/92/373663792.db2.gz WYAJYBXPVHOGKE-ONGXEEELSA-N 0 3 254.286 -1.138 20 0 CAADHN CN1CCN(C(=O)CCn2cncn2)[C@@H](CN)C1 ZINC000122634503 373717250 /nfs/dbraw/zinc/71/72/50/373717250.db2.gz GOLRKGOZBQQSRE-JTQLQIEISA-N 0 3 252.322 -1.231 20 0 CAADHN CNC(=O)C(C)(C)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000230393161 373663844 /nfs/dbraw/zinc/66/38/44/373663844.db2.gz AUCUQULOOAURSV-JTQLQIEISA-N 0 3 286.376 -1.026 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)NCCN(C)CCOC ZINC000224103468 373666319 /nfs/dbraw/zinc/66/63/19/373666319.db2.gz SCRDTMMHCVNMBV-SECBINFHSA-N 0 3 261.322 -1.429 20 0 CAADHN CC(C)C[C@H](CN)NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000418811709 373666817 /nfs/dbraw/zinc/66/68/17/373666817.db2.gz WCEGSLTWGQCLQY-ZJUUUORDSA-N 0 3 284.360 -1.177 20 0 CAADHN CN1CCN(C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000564095294 373668596 /nfs/dbraw/zinc/66/85/96/373668596.db2.gz YUDGRTWYJYWPMZ-VIFPVBQESA-N 0 3 256.306 -1.542 20 0 CAADHN CN1CCN(C(=O)NC[C@H]2CNCCO2)CC1=O ZINC000564095293 373669408 /nfs/dbraw/zinc/66/94/08/373669408.db2.gz YUDGRTWYJYWPMZ-SECBINFHSA-N 0 3 256.306 -1.542 20 0 CAADHN CC(C)CN1CCN(C(=O)C(=O)NCCN)[C@H](C)C1=O ZINC000419840475 373671781 /nfs/dbraw/zinc/67/17/81/373671781.db2.gz RWFZQASSHNKHTF-SNVBAGLBSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](Nc1nc(N)nc(N)n1)[C@H](C)N1CCOCC1 ZINC000623942765 373675587 /nfs/dbraw/zinc/67/55/87/373675587.db2.gz SIBTVCUYCVXQRU-YUMQZZPRSA-N 0 3 267.337 -1.360 20 0 CAADHN CN(CC(=O)N1CCN(C)C[C@@H]1CN)S(C)(=O)=O ZINC000571796594 373675643 /nfs/dbraw/zinc/67/56/43/373675643.db2.gz FADALROLHXOENC-VIFPVBQESA-N 0 3 278.378 -2.021 20 0 CAADHN CN(CC(=O)N1CCN(C)C[C@H]1CN)S(C)(=O)=O ZINC000571796593 373675951 /nfs/dbraw/zinc/67/59/51/373675951.db2.gz FADALROLHXOENC-SECBINFHSA-N 0 3 278.378 -2.021 20 0 CAADHN CCN(C)CCNC(=O)CN(C)S(=O)(=O)N(C)C ZINC000571689041 373675983 /nfs/dbraw/zinc/67/59/83/373675983.db2.gz NERKKSOANGXPPH-UHFFFAOYSA-N 0 3 280.394 -1.208 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC000571848484 373678183 /nfs/dbraw/zinc/67/81/83/373678183.db2.gz GBSATAWECYTPQE-LBPRGKRZSA-N 0 3 276.300 -1.079 20 0 CAADHN COC[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)C(=O)OC ZINC000611507746 373683341 /nfs/dbraw/zinc/68/33/41/373683341.db2.gz XDXIMMVCFORGJF-QWRGUYRKSA-N 0 3 285.344 -1.320 20 0 CAADHN COC(=O)CNC(=O)CNCC(C)(C)N1CCOCC1 ZINC000611442611 373684200 /nfs/dbraw/zinc/68/42/00/373684200.db2.gz HIDZCWIUSBRKPZ-UHFFFAOYSA-N 0 3 287.360 -1.024 20 0 CAADHN CN1C[C@@H](C(=O)NCC2(O)CCN(C)CC2)NC1=O ZINC000611697250 373686071 /nfs/dbraw/zinc/68/60/71/373686071.db2.gz YEXCPBPHASYEJH-VIFPVBQESA-N 0 3 270.333 -1.417 20 0 CAADHN CCOC(=O)[C@H](CO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000611863055 373687417 /nfs/dbraw/zinc/68/74/17/373687417.db2.gz SKNZCSKCAWELDN-QWRGUYRKSA-N 0 3 285.344 -1.584 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC(=O)N1 ZINC000422118992 373689303 /nfs/dbraw/zinc/68/93/03/373689303.db2.gz RPKHMDJJTIKCGP-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000423706639 373693617 /nfs/dbraw/zinc/69/36/17/373693617.db2.gz RFEPMWMXNBYHQL-OPRDCNLKSA-N 0 3 273.333 -1.600 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CC(=O)N1C ZINC000423642222 373693788 /nfs/dbraw/zinc/69/37/88/373693788.db2.gz IBXJSEIJFVGUQK-VHSXEESVSA-N 0 3 282.344 -1.375 20 0 CAADHN NC[C@@H]1CCCCN1C(=O)C(=O)N1CCNC(=O)C1 ZINC000423617596 373693939 /nfs/dbraw/zinc/69/39/39/373693939.db2.gz GPRVEHGRMHCCEE-VIFPVBQESA-N 0 3 268.317 -1.715 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCCNCC2)CC(=O)N1C ZINC000423610794 373694033 /nfs/dbraw/zinc/69/40/33/373694033.db2.gz NGKFNALUPGAVDG-SNVBAGLBSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CC(=O)N1 ZINC000423636478 373694288 /nfs/dbraw/zinc/69/42/88/373694288.db2.gz BITOYNLAENNXIM-RKDXNWHRSA-N 0 3 268.317 -1.717 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)C[C@@H](CO)O1 ZINC000423588272 373694406 /nfs/dbraw/zinc/69/44/06/373694406.db2.gz DQDMLTMFLFHZSK-UTUOFQBUSA-N 0 3 299.371 -1.066 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000424493958 373700902 /nfs/dbraw/zinc/70/09/02/373700902.db2.gz LWUVNTDKXARMEA-JTQLQIEISA-N 0 3 280.332 -1.141 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)C1 ZINC000612548166 373704277 /nfs/dbraw/zinc/70/42/77/373704277.db2.gz LHRZZEKGXXSDLW-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)C1 ZINC000612548168 373705239 /nfs/dbraw/zinc/70/52/39/373705239.db2.gz LHRZZEKGXXSDLW-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCN(C)C(=O)C2)C1 ZINC000612541010 373705287 /nfs/dbraw/zinc/70/52/87/373705287.db2.gz BLVLMACWXNZGBM-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCN(C)C(=O)C2)C1 ZINC000612541009 373705633 /nfs/dbraw/zinc/70/56/33/373705633.db2.gz BLVLMACWXNZGBM-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@H](O)CN2CCCCC2)NC1=O ZINC000612657924 373707353 /nfs/dbraw/zinc/70/73/53/373707353.db2.gz DNZBHNGFXTVUEJ-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN CNS(=O)(=O)CCCN(C[C@@H](C)O)[C@H](C)CO ZINC000443342225 373770176 /nfs/dbraw/zinc/77/01/76/373770176.db2.gz DUTYVCUAHZCLFR-NXEZZACHSA-N 0 3 268.379 -1.011 20 0 CAADHN CN1CCC[C@@H](NC[C@H](O)CN2CCOCC2)C1=O ZINC000572834660 373770985 /nfs/dbraw/zinc/77/09/85/373770985.db2.gz UULSOUQCAJXYAA-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN COCCN(C)C[C@@H](O)CN1C(=O)CN(C)C1=O ZINC000385903362 373722893 /nfs/dbraw/zinc/72/28/93/373722893.db2.gz GLBVNGUCMZAQAL-SECBINFHSA-N 0 3 259.306 -1.181 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1CN ZINC000627468575 373729192 /nfs/dbraw/zinc/72/91/92/373729192.db2.gz YVKOIFJSTWRLHJ-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CN ZINC000627468576 373729377 /nfs/dbraw/zinc/72/93/77/373729377.db2.gz YVKOIFJSTWRLHJ-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN CCN1CCN(CCC(=O)N[C@@H]2COC[C@@H]2O)CC1 ZINC000633854964 373735115 /nfs/dbraw/zinc/73/51/15/373735115.db2.gz OSIMKTMBDIOAKW-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN COCCOCCN(CCO)C(=O)C(C)S(C)(=O)=O ZINC000628599447 373736739 /nfs/dbraw/zinc/73/67/39/373736739.db2.gz GWLUIZBNTZDEDY-SNVBAGLBSA-N 0 3 297.373 -1.097 20 0 CAADHN COCCOCCN(CCO)C(=O)C(C)S(C)(=O)=O ZINC000628599446 373737726 /nfs/dbraw/zinc/73/77/26/373737726.db2.gz GWLUIZBNTZDEDY-JTQLQIEISA-N 0 3 297.373 -1.097 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)COC1CNC1 ZINC000430425063 373739114 /nfs/dbraw/zinc/73/91/14/373739114.db2.gz KJXVEJRZACSEMN-SECBINFHSA-N 0 3 291.373 -1.485 20 0 CAADHN CS(=O)(=O)NCCCNC(=O)CNC[C@H]1CCCO1 ZINC000430209458 373739221 /nfs/dbraw/zinc/73/92/21/373739221.db2.gz YABZXYSINGSMGV-SNVBAGLBSA-N 0 3 293.389 -1.190 20 0 CAADHN CS(=O)(=O)N1CCCN(C(=O)COC2CNC2)CC1 ZINC000429805826 373740008 /nfs/dbraw/zinc/74/00/08/373740008.db2.gz AXLBRAFPMOZJKW-UHFFFAOYSA-N 0 3 291.373 -1.531 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC000628648132 373740115 /nfs/dbraw/zinc/74/01/15/373740115.db2.gz CUVANQBAMAGWES-MRVPVSSYSA-N 0 3 266.305 -1.413 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000628648473 373740167 /nfs/dbraw/zinc/74/01/67/373740167.db2.gz TXELZUAVBFOWKY-BDAKNGLRSA-N 0 3 261.347 -1.112 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCS(=O)(=O)N1 ZINC000640320423 373740626 /nfs/dbraw/zinc/74/06/26/373740626.db2.gz QWHOWUXJKCXALO-ZJUUUORDSA-N 0 3 291.373 -1.749 20 0 CAADHN Cn1cnn(CCC(=O)N[C@H](CO)CN2CCCC2)c1=O ZINC000640320996 373742125 /nfs/dbraw/zinc/74/21/25/373742125.db2.gz DTYMTJNDSMRJDZ-NSHDSACASA-N 0 3 297.359 -1.455 20 0 CAADHN CN1C(=O)N=NC1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000640652336 373775116 /nfs/dbraw/zinc/77/51/16/373775116.db2.gz SRPRHGUUYSEGKY-VIFPVBQESA-N 0 3 280.332 -1.473 20 0 CAADHN O=C(CN[C@@H](CO)[C@@H]1CCCO1)N1CCOCC1 ZINC000447909856 373775286 /nfs/dbraw/zinc/77/52/86/373775286.db2.gz DULQDEUBUYJRLW-QWRGUYRKSA-N 0 3 258.318 -1.025 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H](CO)CN2CCCC2)CC1 ZINC000640323827 373749007 /nfs/dbraw/zinc/74/90/07/373749007.db2.gz OPPAJNOFXJJGIS-SECBINFHSA-N 0 3 255.318 -1.175 20 0 CAADHN NC(=O)C1(C(=O)N[C@H](CO)CN2CCCC2)CC1 ZINC000640323830 373749144 /nfs/dbraw/zinc/74/91/44/373749144.db2.gz OPPAJNOFXJJGIS-VIFPVBQESA-N 0 3 255.318 -1.175 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H](O)CN1CCCCC1 ZINC000434418054 373753282 /nfs/dbraw/zinc/75/32/82/373753282.db2.gz XZMARIQEKHWGTN-JTQLQIEISA-N 0 3 293.389 -1.501 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000434418055 373753613 /nfs/dbraw/zinc/75/36/13/373753613.db2.gz XZMARIQEKHWGTN-SNVBAGLBSA-N 0 3 293.389 -1.501 20 0 CAADHN CN1CCN(CC(=O)N[C@H](CO)CN2CCCC2)CC1 ZINC000640324592 373753706 /nfs/dbraw/zinc/75/37/06/373753706.db2.gz TYALWFHFDDJUHF-ZDUSSCGKSA-N 0 3 284.404 -1.193 20 0 CAADHN CN1CCN(CC(=O)N[C@@H](CO)CN2CCCC2)CC1 ZINC000640324591 373754273 /nfs/dbraw/zinc/75/42/73/373754273.db2.gz TYALWFHFDDJUHF-CYBMUJFWSA-N 0 3 284.404 -1.193 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435243761 373756737 /nfs/dbraw/zinc/75/67/37/373756737.db2.gz AIKGRIRNACTKOP-SECBINFHSA-N 0 3 266.301 -1.109 20 0 CAADHN CN(C)CCNC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000640334137 373757955 /nfs/dbraw/zinc/75/79/55/373757955.db2.gz VWDZBSBEIOVQIB-UHFFFAOYSA-N 0 3 269.305 -1.233 20 0 CAADHN O=C(CCC(=O)N1CCOCC1)NCCN1CC[C@@H](O)C1 ZINC000629178777 373758009 /nfs/dbraw/zinc/75/80/09/373758009.db2.gz JKWLFIKOMBJPAZ-GFCCVEGCSA-N 0 3 299.371 -1.192 20 0 CAADHN CNC(=O)NCCC(=O)NCCN1CC[C@@H](O)C1 ZINC000629169720 373759465 /nfs/dbraw/zinc/75/94/65/373759465.db2.gz SIIBTUSTQMOTID-SECBINFHSA-N 0 3 258.322 -1.512 20 0 CAADHN CN(C(=O)[C@H](N)CC(N)=O)[C@@H]1CCN(C2CC2)C1 ZINC000438882084 373762942 /nfs/dbraw/zinc/76/29/42/373762942.db2.gz HZPBLUJRACKWIS-NXEZZACHSA-N 0 3 254.334 -1.116 20 0 CAADHN c1cnc(N2CCN(C[C@H]3CNCCO3)CC2)nn1 ZINC000629552114 373776592 /nfs/dbraw/zinc/77/65/92/373776592.db2.gz CQMCWQDGGZSROA-LLVKDONJSA-N 0 3 264.333 -1.018 20 0 CAADHN Cc1nn(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(=O)o1 ZINC000640346893 373766893 /nfs/dbraw/zinc/76/68/93/373766893.db2.gz BIPDOFLINKRCMW-IUCAKERBSA-N 0 3 270.289 -1.722 20 0 CAADHN CN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000629451917 373767203 /nfs/dbraw/zinc/76/72/03/373767203.db2.gz IJCKFXBWXBQVIZ-YUMQZZPRSA-N 0 3 254.290 -1.205 20 0 CAADHN NCC(F)(F)CNC(=O)NC[C@H]1COCCN1 ZINC000627084654 373838486 /nfs/dbraw/zinc/83/84/86/373838486.db2.gz KSHPGGYEQKZQKW-ZETCQYMHSA-N 0 3 252.265 -1.132 20 0 CAADHN COC[C@@H](CS(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)OC ZINC000641395407 373803833 /nfs/dbraw/zinc/80/38/33/373803833.db2.gz XSPCUPFVLWWXNL-QWRGUYRKSA-N 0 3 298.405 -1.120 20 0 CAADHN COCC(COC)S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C ZINC000641393975 373803844 /nfs/dbraw/zinc/80/38/44/373803844.db2.gz QSWBMCKZRGSXSO-NSHDSACASA-N 0 3 298.405 -1.120 20 0 CAADHN COCC(COC)S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C ZINC000641393969 373803939 /nfs/dbraw/zinc/80/39/39/373803939.db2.gz QSWBMCKZRGSXSO-LLVKDONJSA-N 0 3 298.405 -1.120 20 0 CAADHN NCC(F)(F)CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000627085153 373838598 /nfs/dbraw/zinc/83/85/98/373838598.db2.gz UPFMSMAXJNLSDM-MRVPVSSYSA-N 0 3 266.292 -1.054 20 0 CAADHN CCN1CCC(NC(=O)Cn2nnn(C)c2=O)CC1 ZINC000641515913 373805824 /nfs/dbraw/zinc/80/58/24/373805824.db2.gz FLIFAUSAYAKKDN-UHFFFAOYSA-N 0 3 268.321 -1.423 20 0 CAADHN CN(C)CCN1CCN(c2nccnc2C(N)=O)CC1=O ZINC000641649158 373811853 /nfs/dbraw/zinc/81/18/53/373811853.db2.gz ATMXPPWGYMYXBQ-UHFFFAOYSA-N 0 3 292.343 -1.214 20 0 CAADHN COC[C@@H](C(N)=O)N(C)CCC(=O)N1CCNCC1 ZINC000641806851 373814435 /nfs/dbraw/zinc/81/44/35/373814435.db2.gz RSEWXLGDDXDJFD-JTQLQIEISA-N 0 3 272.349 -1.760 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C[C@@H]1CCC2(CNC2)O1 ZINC000641804379 373814805 /nfs/dbraw/zinc/81/48/05/373814805.db2.gz ICAHYXBCILWKEF-UWVGGRQHSA-N 0 3 257.334 -1.061 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CCN(C)C(C)(C)C1 ZINC000641824218 373814868 /nfs/dbraw/zinc/81/48/68/373814868.db2.gz FYBHQCJBBDRXKF-UHFFFAOYSA-N 0 3 256.350 -1.044 20 0 CAADHN CO[C@H](CN)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O ZINC000227365507 373839384 /nfs/dbraw/zinc/83/93/84/373839384.db2.gz CIIPCCXNDIVLSH-NXEZZACHSA-N 0 3 293.389 -1.110 20 0 CAADHN Cn1cnnc1S(=O)(=O)[N-]CCCN1CC[NH2+]CC1 ZINC000631900003 373817407 /nfs/dbraw/zinc/81/74/07/373817407.db2.gz FKLPGNNCHMRRLC-UHFFFAOYSA-N 0 3 288.377 -1.611 20 0 CAADHN OCCN(CCO)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000641939829 373817432 /nfs/dbraw/zinc/81/74/32/373817432.db2.gz IKVQAPSWWKDVFO-NEPJUHHUSA-N 0 3 263.334 -1.171 20 0 CAADHN CC[C@@H](N)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000152925843 373818896 /nfs/dbraw/zinc/81/88/96/373818896.db2.gz SUKOEPBWOAZQJX-GHMZBOCLSA-N 0 3 259.350 -1.125 20 0 CAADHN NCC(F)(F)CNC(=O)NCCN1CC[C@H](O)C1 ZINC000627085157 373839656 /nfs/dbraw/zinc/83/96/56/373839656.db2.gz UPFMSMAXJNLSDM-QMMMGPOBSA-N 0 3 266.292 -1.054 20 0 CAADHN CN(C)C1(CNS(=O)(=O)C[C@H]2CNCCO2)CC1 ZINC000397954898 373823583 /nfs/dbraw/zinc/82/35/83/373823583.db2.gz BOCWORQLVLYHKT-SNVBAGLBSA-N 0 3 277.390 -1.012 20 0 CAADHN O=C(NCCCN1CCCCCC1=O)C(=O)NC1CNC1 ZINC000642210335 373823665 /nfs/dbraw/zinc/82/36/65/373823665.db2.gz DIWTZKVTDJSFJL-UHFFFAOYSA-N 0 3 296.371 -1.017 20 0 CAADHN CN(C)C1(CS(=O)(=O)NC[C@H]2CNCCO2)CC1 ZINC000631944304 373825222 /nfs/dbraw/zinc/82/52/22/373825222.db2.gz TWAULVYSNKJOCN-SNVBAGLBSA-N 0 3 277.390 -1.012 20 0 CAADHN Nc1nc(N)nc(NCCCN2CCCC2=O)n1 ZINC000623788712 373825847 /nfs/dbraw/zinc/82/58/47/373825847.db2.gz NQURTJATFXUYNF-UHFFFAOYSA-N 0 3 251.294 -1.457 20 0 CAADHN C[C@H](CNC(=O)CCNS(C)(=O)=O)N(C)C ZINC000642244185 373826604 /nfs/dbraw/zinc/82/66/04/373826604.db2.gz LWKBUCIGBAANCQ-MRVPVSSYSA-N 0 3 251.352 -1.008 20 0 CAADHN CN(C)C1(CS(=O)(=O)NC[C@@H]2CNCCO2)CC1 ZINC000631944303 373826624 /nfs/dbraw/zinc/82/66/24/373826624.db2.gz TWAULVYSNKJOCN-JTQLQIEISA-N 0 3 277.390 -1.012 20 0 CAADHN CN(C)CCOCCNC(=O)[C@H]1CCN=C2C1=NNN2C ZINC000613284796 373827664 /nfs/dbraw/zinc/82/76/64/373827664.db2.gz ISOYNVBFUNCYNG-JTQLQIEISA-N 0 3 296.375 -1.095 20 0 CAADHN CCOC(=O)C[C@H](O)CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000386899505 373828123 /nfs/dbraw/zinc/82/81/23/373828123.db2.gz AYBIJPYZLPTMNB-XHNCKOQMSA-N 0 3 270.285 -1.495 20 0 CAADHN C[C@@H](CN1CCN(C)CC1)NC(=O)NC[C@H]1COCCN1 ZINC000626972928 373828391 /nfs/dbraw/zinc/82/83/91/373828391.db2.gz RDACCWVTNJHDSP-STQMWFEESA-N 0 3 299.419 -1.090 20 0 CAADHN CN(C)CCOCCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000613283944 373828827 /nfs/dbraw/zinc/82/88/27/373828827.db2.gz BPDLNHLZJSYOKD-IJLUTSLNSA-N 0 3 288.344 -1.906 20 0 CAADHN CN(C)CCOCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC000613286438 373828867 /nfs/dbraw/zinc/82/88/67/373828867.db2.gz XSMOFSCJUGZEEE-SECBINFHSA-N 0 3 258.322 -1.296 20 0 CAADHN CN(C)CCOCCNC(=O)NC[C@@H]1COCCN1 ZINC000627018911 373831867 /nfs/dbraw/zinc/83/18/67/373831867.db2.gz JHUMXXIRLULWSW-LLVKDONJSA-N 0 3 274.365 -1.148 20 0 CAADHN CN1CCOC[C@H]1CNC[C@H](O)CN1CCOCC1 ZINC000629599260 373778423 /nfs/dbraw/zinc/77/84/23/373778423.db2.gz AWXPXMINSCLAOC-OLZOCXBDSA-N 0 3 273.377 -1.400 20 0 CAADHN CN1CCOC[C@@H]1CNC[C@H](O)CN1CCOCC1 ZINC000629599262 373778902 /nfs/dbraw/zinc/77/89/02/373778902.db2.gz AWXPXMINSCLAOC-STQMWFEESA-N 0 3 273.377 -1.400 20 0 CAADHN CS(=O)(=O)NC[C@@H]1COCCN1C[C@@H]1CNCCO1 ZINC000629585716 373779482 /nfs/dbraw/zinc/77/94/82/373779482.db2.gz CYEJEKOACMLPDJ-MNOVXSKESA-N 0 3 293.389 -1.775 20 0 CAADHN CN1CCOC[C@@H]1CNC[C@@H](O)CN1CCOCC1 ZINC000629599261 373779697 /nfs/dbraw/zinc/77/96/97/373779697.db2.gz AWXPXMINSCLAOC-QWHCGFSZSA-N 0 3 273.377 -1.400 20 0 CAADHN O=C(CNC(=O)NCCN1CC[C@@H](O)C1)N1CCNCC1 ZINC000627064805 373837040 /nfs/dbraw/zinc/83/70/40/373837040.db2.gz WYADFVQWTVUNSC-LLVKDONJSA-N 0 3 299.375 -2.216 20 0 CAADHN CN[C@@H](C)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000629606887 373781412 /nfs/dbraw/zinc/78/14/12/373781412.db2.gz OOBKUOSQWGOJJZ-QWRGUYRKSA-N 0 3 259.350 -1.254 20 0 CAADHN CC[C@H](N)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000629607934 373781848 /nfs/dbraw/zinc/78/18/48/373781848.db2.gz SUKOEPBWOAZQJX-QWRGUYRKSA-N 0 3 259.350 -1.125 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCO[C@H](C(=O)NC)C1 ZINC000629801748 373785720 /nfs/dbraw/zinc/78/57/20/373785720.db2.gz HRGAXGJQCHZHHM-VIFPVBQESA-N 0 3 286.332 -2.233 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC(=O)N(C)[C@H](C)C1 ZINC000629800005 373785802 /nfs/dbraw/zinc/78/58/02/373785802.db2.gz WGMVAPKDOCXJKD-SECBINFHSA-N 0 3 270.333 -1.517 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCOC[C@@H]1C[C@H](C)O ZINC000629803664 373785863 /nfs/dbraw/zinc/78/58/63/373785863.db2.gz PBDRLQYOUVEGND-QWRGUYRKSA-N 0 3 287.360 -1.208 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCO[C@@H](COC)C1 ZINC000629799606 373785911 /nfs/dbraw/zinc/78/59/11/373785911.db2.gz RKVJGBXTHVPVKG-SNVBAGLBSA-N 0 3 273.333 -1.333 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCO[C@H](COC)C1 ZINC000629799605 373785999 /nfs/dbraw/zinc/78/59/99/373785999.db2.gz RKVJGBXTHVPVKG-JTQLQIEISA-N 0 3 273.333 -1.333 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000629801000 373786095 /nfs/dbraw/zinc/78/60/95/373786095.db2.gz GEDCRACBTLVBJJ-JTQLQIEISA-N 0 3 284.360 -1.092 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000629805001 373786116 /nfs/dbraw/zinc/78/61/16/373786116.db2.gz IFNJUOBNKYEWMF-UHFFFAOYSA-N 0 3 256.306 -1.906 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)C[C@H]1COCCO1 ZINC000629803979 373786201 /nfs/dbraw/zinc/78/62/01/373786201.db2.gz BAIRQVBIAMUNSZ-JTQLQIEISA-N 0 3 273.333 -1.333 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCn2nc(C)nc2C1 ZINC000629796320 373786465 /nfs/dbraw/zinc/78/64/65/373786465.db2.gz GXPHPXPHEBYMEV-UHFFFAOYSA-N 0 3 280.332 -1.264 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCOC[C@@H]1C[C@@H](C)O ZINC000629803663 373786492 /nfs/dbraw/zinc/78/64/92/373786492.db2.gz PBDRLQYOUVEGND-MNOVXSKESA-N 0 3 287.360 -1.208 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCn2cnnc2[C@H]1C ZINC000629802240 373786553 /nfs/dbraw/zinc/78/65/53/373786553.db2.gz GSMGPMWJPKBQCW-SECBINFHSA-N 0 3 280.332 -1.012 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000629802004 373786777 /nfs/dbraw/zinc/78/67/77/373786777.db2.gz QLZVSRNDJJEQAR-GFCCVEGCSA-N 0 3 270.333 -1.483 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCOC[C@H]1C[C@H](C)O ZINC000629803665 373786857 /nfs/dbraw/zinc/78/68/57/373786857.db2.gz PBDRLQYOUVEGND-WDEREUQCSA-N 0 3 287.360 -1.208 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000629798982 373786956 /nfs/dbraw/zinc/78/69/56/373786956.db2.gz XDCCZSWTOKAMGJ-NSHDSACASA-N 0 3 284.360 -1.663 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(CC)CCOCCO ZINC000629802109 373787000 /nfs/dbraw/zinc/78/70/00/373787000.db2.gz KZRVFTAXSQGIHD-UHFFFAOYSA-N 0 3 275.349 -1.349 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC[C@@H](Cn2ccnn2)C1 ZINC000629812075 373787737 /nfs/dbraw/zinc/78/77/37/373787737.db2.gz GJPKROYIMDAPPV-LLVKDONJSA-N 0 3 294.359 -1.066 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)O)C1 ZINC000629806089 373788019 /nfs/dbraw/zinc/78/80/19/373788019.db2.gz UPZDAGJJULQQRI-NXEZZACHSA-N 0 3 273.333 -1.598 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CCO[C@H](CCF)C1 ZINC000629809747 373788058 /nfs/dbraw/zinc/78/80/58/373788058.db2.gz SXLJDRBYWNTRNH-SECBINFHSA-N 0 3 261.297 -1.010 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000629813556 373788219 /nfs/dbraw/zinc/78/82/19/373788219.db2.gz JZROHPQHVRILQH-UHFFFAOYSA-N 0 3 299.331 -3.050 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000629811745 373788237 /nfs/dbraw/zinc/78/82/37/373788237.db2.gz CSHUHJPOJSRQKF-SECBINFHSA-N 0 3 286.332 -2.104 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)CCNC(C)=O ZINC000629806178 373788336 /nfs/dbraw/zinc/78/83/36/373788336.db2.gz RXDMNFANJPPMIF-UHFFFAOYSA-N 0 3 258.322 -1.612 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC000629811746 373788379 /nfs/dbraw/zinc/78/83/79/373788379.db2.gz CSHUHJPOJSRQKF-VIFPVBQESA-N 0 3 286.332 -2.104 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC(=O)N[C@@H](C)C1 ZINC000629811375 373788586 /nfs/dbraw/zinc/78/85/86/373788586.db2.gz GHYVSMDVGFUZAU-QMMMGPOBSA-N 0 3 256.306 -1.860 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCO[C@H]([C@H](C)O)C1 ZINC000629806090 373789045 /nfs/dbraw/zinc/78/90/45/373789045.db2.gz UPZDAGJJULQQRI-UWVGGRQHSA-N 0 3 273.333 -1.598 20 0 CAADHN CNC(=O)NCCC(=O)NCCN1CC[C@H](O)C1 ZINC000629917279 373794088 /nfs/dbraw/zinc/79/40/88/373794088.db2.gz SIIBTUSTQMOTID-VIFPVBQESA-N 0 3 258.322 -1.512 20 0 CAADHN COC(=O)[C@](C)(O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000614451686 373878081 /nfs/dbraw/zinc/87/80/81/373878081.db2.gz ZQEADOUPKTWSSL-GXFFZTMASA-N 0 3 285.344 -1.584 20 0 CAADHN O=C(N[C@H](CO)CN1CCCCC1)[C@@H]1CC(=O)N1 ZINC000614662109 373889880 /nfs/dbraw/zinc/88/98/80/373889880.db2.gz YDZYEXDSKNDBSN-UWVGGRQHSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000614661302 373890512 /nfs/dbraw/zinc/89/05/12/373890512.db2.gz PASBNGPNIUKKBL-ZJUUUORDSA-N 0 3 298.343 -1.453 20 0 CAADHN O=C(N[C@H](CO)CN1CCCCC1)[C@H]1CC(=O)N1 ZINC000614662110 373890593 /nfs/dbraw/zinc/89/05/93/373890593.db2.gz YDZYEXDSKNDBSN-VHSXEESVSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCCC1)[C@H]1CC(=O)N1 ZINC000614662108 373890627 /nfs/dbraw/zinc/89/06/27/373890627.db2.gz YDZYEXDSKNDBSN-NXEZZACHSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(NCCNC[C@H](O)CN1CCOCC1)c1ccn[nH]1 ZINC000564203943 373892797 /nfs/dbraw/zinc/89/27/97/373892797.db2.gz YCLSEGXMGUKEGW-NSHDSACASA-N 0 3 297.359 -1.578 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@H](CN)C1 ZINC000564209111 373894024 /nfs/dbraw/zinc/89/40/24/373894024.db2.gz JPFDWZUQLBWVFK-BBBLOLIVSA-N 0 3 270.333 -1.879 20 0 CAADHN CCN1CCN(CC(=O)N[C@@H](CO)CN(C)C)CC1 ZINC000614845874 373895790 /nfs/dbraw/zinc/89/57/90/373895790.db2.gz FJLGVDZTRCHXQI-GFCCVEGCSA-N 0 3 272.393 -1.337 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H](O)C1CCOCC1 ZINC000614845734 373895991 /nfs/dbraw/zinc/89/59/91/373895991.db2.gz DRUKIFYHCGUKHZ-GHMZBOCLSA-N 0 3 260.334 -1.187 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H](O)C1CCOCC1 ZINC000614845750 373896069 /nfs/dbraw/zinc/89/60/69/373896069.db2.gz DRUKIFYHCGUKHZ-QWRGUYRKSA-N 0 3 260.334 -1.187 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000614845319 373896125 /nfs/dbraw/zinc/89/61/25/373896125.db2.gz BKXJRBBOGPARIH-LNFKQOIKSA-N 0 3 274.317 -2.562 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)CNS(=O)(=O)N(C)C ZINC000614839754 373896278 /nfs/dbraw/zinc/89/62/78/373896278.db2.gz TVESQNVMEBNTIS-QMMMGPOBSA-N 0 3 266.367 -1.551 20 0 CAADHN CC1(C)CN(C(=O)C[C@@H]2NC(=O)NC2=O)CCN1 ZINC000539122975 373896347 /nfs/dbraw/zinc/89/63/47/373896347.db2.gz ZFEOGZQVVQUHEC-ZETCQYMHSA-N 0 3 254.290 -1.205 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCn1cnccc1=O ZINC000614848106 373896426 /nfs/dbraw/zinc/89/64/26/373896426.db2.gz PRBWICVDFLQLOL-JTQLQIEISA-N 0 3 268.317 -1.328 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](CO)CN(C)C ZINC000614849336 373896657 /nfs/dbraw/zinc/89/66/57/373896657.db2.gz XIKZJZDFXNFVKW-IUCAKERBSA-N 0 3 281.378 -1.647 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCN=C2C1=NNN2C ZINC000614849206 373896668 /nfs/dbraw/zinc/89/66/68/373896668.db2.gz VZFHYNYWWNBRCE-IUCAKERBSA-N 0 3 282.348 -1.751 20 0 CAADHN CCC[C@H](C(=O)N[C@H](CO)CN(C)C)S(N)(=O)=O ZINC000614846467 373896694 /nfs/dbraw/zinc/89/66/94/373896694.db2.gz HDRARCZCINHFCI-DTWKUNHWSA-N 0 3 281.378 -1.518 20 0 CAADHN O=C(CN1CCOCC1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000627265548 373896792 /nfs/dbraw/zinc/89/67/92/373896792.db2.gz KCSMWLKITHYULH-RYUDHWBXSA-N 0 3 297.355 -1.487 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)COCc1nccn1C ZINC000614846840 373896828 /nfs/dbraw/zinc/89/68/28/373896828.db2.gz ITLIIBJLUPZUQP-JTQLQIEISA-N 0 3 270.333 -1.025 20 0 CAADHN O=C(CN1CCOCC1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000627265546 373896859 /nfs/dbraw/zinc/89/68/59/373896859.db2.gz KCSMWLKITHYULH-NEPJUHHUSA-N 0 3 297.355 -1.487 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H](CO)CN(C)C ZINC000614848090 373896867 /nfs/dbraw/zinc/89/68/67/373896867.db2.gz PFJMFBDJWBRZKU-SSDOTTSWSA-N 0 3 268.339 -2.921 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC000614848100 373896972 /nfs/dbraw/zinc/89/69/72/373896972.db2.gz PLMHABALIVIINA-SECBINFHSA-N 0 3 296.393 -2.237 20 0 CAADHN O=C(CN1CCOCC1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000627265547 373897024 /nfs/dbraw/zinc/89/70/24/373897024.db2.gz KCSMWLKITHYULH-NWDGAFQWSA-N 0 3 297.355 -1.487 20 0 CAADHN CCN1CCO[C@H](C(=O)N[C@H](CO)CN(C)C)C1 ZINC000614844894 373897124 /nfs/dbraw/zinc/89/71/24/373897124.db2.gz ANWRZEDKKYTWSW-QWRGUYRKSA-N 0 3 259.350 -1.254 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CNS(=O)(=O)N(C)C ZINC000614848650 373897136 /nfs/dbraw/zinc/89/71/36/373897136.db2.gz RRLAJJWSIRRBLU-MRVPVSSYSA-N 0 3 282.366 -2.579 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)c1cnn(C[C@@H](O)CO)c1 ZINC000614838377 373897146 /nfs/dbraw/zinc/89/71/46/373897146.db2.gz HNGVCHLUSUKCNG-GXSJLCMTSA-N 0 3 270.333 -1.084 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N[C@H](CO)CN(C)C ZINC000614850507 373897856 /nfs/dbraw/zinc/89/78/56/373897856.db2.gz ZEKOQRZEMSTVKP-WDEREUQCSA-N 0 3 273.333 -1.728 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CS(=O)(=O)NC(C)(C)C ZINC000614851490 373897942 /nfs/dbraw/zinc/89/79/42/373897942.db2.gz AVMRHICRFXQDPI-VIFPVBQESA-N 0 3 295.405 -1.257 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1ccc2nnnn2c1 ZINC000614850086 373898096 /nfs/dbraw/zinc/89/80/96/373898096.db2.gz RVTAKSQALBELBJ-VIFPVBQESA-N 0 3 264.289 -1.223 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000614851917 373898128 /nfs/dbraw/zinc/89/81/28/373898128.db2.gz MKFFOMLOCHJVFH-BXUZGUMPSA-N 0 3 297.355 -1.362 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1CCN(C)C(=O)C1 ZINC000614851901 373898478 /nfs/dbraw/zinc/89/84/78/373898478.db2.gz MFNFBEYAOBWYNP-JTQLQIEISA-N 0 3 272.349 -2.201 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCCN1C(=O)CCC1=O ZINC000614855254 373898549 /nfs/dbraw/zinc/89/85/49/373898549.db2.gz WJALVWZQACCLMJ-SNVBAGLBSA-N 0 3 285.344 -1.046 20 0 CAADHN CCn1nc(C(=O)N[C@@H](CO)CN(C)C)ccc1=O ZINC000614855017 373898623 /nfs/dbraw/zinc/89/86/23/373898623.db2.gz UMJOEAJXNHEFOJ-SECBINFHSA-N 0 3 268.317 -1.085 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CS(=O)(=O)NC(C)(C)C ZINC000614851489 373898658 /nfs/dbraw/zinc/89/86/58/373898658.db2.gz AVMRHICRFXQDPI-SECBINFHSA-N 0 3 295.405 -1.257 20 0 CAADHN CCn1nc(C(=O)N[C@H](CO)CN(C)C)ccc1=O ZINC000614855021 373898730 /nfs/dbraw/zinc/89/87/30/373898730.db2.gz UMJOEAJXNHEFOJ-VIFPVBQESA-N 0 3 268.317 -1.085 20 0 CAADHN CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](CO)CN(C)C ZINC000614851714 373898745 /nfs/dbraw/zinc/89/87/45/373898745.db2.gz KSWLAZGQAYNBHI-NXEZZACHSA-N 0 3 295.405 -1.401 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000614851920 373898755 /nfs/dbraw/zinc/89/87/55/373898755.db2.gz MKFFOMLOCHJVFH-SMDDNHRTSA-N 0 3 297.355 -1.362 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)Cn1cccnc1=O ZINC000614855057 373898773 /nfs/dbraw/zinc/89/87/73/373898773.db2.gz UVPLCMPYADRHKC-VIFPVBQESA-N 0 3 254.290 -1.718 20 0 CAADHN C[C@H](C(=O)N[C@@H](CO)CN(C)C)N1C(=O)CCC1=O ZINC000614854941 373898873 /nfs/dbraw/zinc/89/88/73/373898873.db2.gz TUBVMXXXHPBRPA-RKDXNWHRSA-N 0 3 271.317 -1.437 20 0 CAADHN CC(C)[C@H](NS(C)(=O)=O)C(=O)N[C@@H](CO)CN(C)C ZINC000614851717 373899313 /nfs/dbraw/zinc/89/93/13/373899313.db2.gz KSWLAZGQAYNBHI-ZJUUUORDSA-N 0 3 295.405 -1.401 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)Cn1cccnc1=O ZINC000614855054 373899352 /nfs/dbraw/zinc/89/93/52/373899352.db2.gz UVPLCMPYADRHKC-SECBINFHSA-N 0 3 254.290 -1.718 20 0 CAADHN C[C@@H](C(=O)N[C@@H](CO)CN(C)C)N1C(=O)CCC1=O ZINC000614854939 373899380 /nfs/dbraw/zinc/89/93/80/373899380.db2.gz TUBVMXXXHPBRPA-DTWKUNHWSA-N 0 3 271.317 -1.437 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCNS(C)(=O)=O ZINC000614853763 373899428 /nfs/dbraw/zinc/89/94/28/373899428.db2.gz HWRBNNSWOYKVNA-MRVPVSSYSA-N 0 3 267.351 -2.036 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](CO)CN(C)C)CCC1 ZINC000614852032 373899439 /nfs/dbraw/zinc/89/94/39/373899439.db2.gz FTZLCAODIAUXCC-SECBINFHSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCc1cn(C)nn1 ZINC000614857447 373900270 /nfs/dbraw/zinc/90/02/70/373900270.db2.gz BLPYSYSIOCVVAA-SNVBAGLBSA-N 0 3 255.322 -1.214 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000614856757 373900358 /nfs/dbraw/zinc/90/03/58/373900358.db2.gz BCNFBDGRPKURLU-SNVBAGLBSA-N 0 3 297.359 -1.580 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000614861490 373900399 /nfs/dbraw/zinc/90/03/99/373900399.db2.gz ZNSCGENEOZZUKC-MRVPVSSYSA-N 0 3 286.332 -1.645 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000614860743 373900416 /nfs/dbraw/zinc/90/04/16/373900416.db2.gz VFXIBLPWHQNOPI-VHSXEESVSA-N 0 3 272.349 -1.184 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000614856799 373900725 /nfs/dbraw/zinc/90/07/25/373900725.db2.gz CIDWOTANYCWVPW-JGVFFNPUSA-N 0 3 265.335 -2.283 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)NC[C@H]1CNCCO1 ZINC000627103214 373841554 /nfs/dbraw/zinc/84/15/54/373841554.db2.gz GMUKSPIIHWPFNQ-WDEREUQCSA-N 0 3 272.349 -1.395 20 0 CAADHN CCN(CCN)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000627113348 373841658 /nfs/dbraw/zinc/84/16/58/373841658.db2.gz VZAYQJCRCLWFCR-RKDXNWHRSA-N 0 3 279.362 -1.211 20 0 CAADHN NC(=O)[C@H]1C[C@H](NC(=O)NC[C@H]2CNCCO2)C1 ZINC000627102159 373841854 /nfs/dbraw/zinc/84/18/54/373841854.db2.gz JALYITWJLFBKJX-IWSPIJDZSA-N 0 3 256.306 -1.462 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000614856798 373900756 /nfs/dbraw/zinc/90/07/56/373900756.db2.gz CIDWOTANYCWVPW-HTQZYQBOSA-N 0 3 265.335 -2.283 20 0 CAADHN CN1CCN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)[C@@H](CN)C1 ZINC000627156335 373843536 /nfs/dbraw/zinc/84/35/36/373843536.db2.gz CUKBQRAIWQGRAL-GUBZILKMSA-N 0 3 269.349 -1.465 20 0 CAADHN CN1CCN(C(=O)NC[C@H]2COCCN2C)[C@H](CN)C1 ZINC000627184446 373845134 /nfs/dbraw/zinc/84/51/34/373845134.db2.gz YFWURXHYRCHKAX-NEPJUHHUSA-N 0 3 285.392 -1.399 20 0 CAADHN CN1CCN(C(=O)NC[C@H]2COCCN2C)[C@@H](CN)C1 ZINC000627184448 373845151 /nfs/dbraw/zinc/84/51/51/373845151.db2.gz YFWURXHYRCHKAX-RYUDHWBXSA-N 0 3 285.392 -1.399 20 0 CAADHN CCN(CCO)CCNC(=O)NC[C@H]1COCCN1 ZINC000627189953 373846991 /nfs/dbraw/zinc/84/69/91/373846991.db2.gz NXYHTUPFBMFRCY-NSHDSACASA-N 0 3 274.365 -1.412 20 0 CAADHN O=C(NC[C@@H]1COCCN1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000627190500 373847177 /nfs/dbraw/zinc/84/71/77/373847177.db2.gz NVADJSWLVMUZNB-GRYCIOLGSA-N 0 3 284.360 -1.565 20 0 CAADHN O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1COCCN1 ZINC000627191887 373847221 /nfs/dbraw/zinc/84/72/21/373847221.db2.gz JASREXSLHRZDDO-MNOVXSKESA-N 0 3 272.349 -1.659 20 0 CAADHN O=C(NC[C@H]1COCCN1)NC[C@H]1COCCN1 ZINC000627192223 373847529 /nfs/dbraw/zinc/84/75/29/373847529.db2.gz QQVCAGAXLQIWGH-UWVGGRQHSA-N 0 3 258.322 -1.738 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@@H]2COCCN2)C1 ZINC000627190096 373847892 /nfs/dbraw/zinc/84/78/92/373847892.db2.gz UTDGGUGMDBMLSK-PWSUYJOCSA-N 0 3 272.349 -1.659 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@H]2COCCN2)C1 ZINC000627190094 373847983 /nfs/dbraw/zinc/84/79/83/373847983.db2.gz UTDGGUGMDBMLSK-CMPLNLGQSA-N 0 3 272.349 -1.659 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000613521572 373849026 /nfs/dbraw/zinc/84/90/26/373849026.db2.gz FTDRXAFEHFBODZ-MWLCHTKSSA-N 0 3 293.389 -1.503 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)C2(n3cnnn3)CC2)C1 ZINC000613523536 373849155 /nfs/dbraw/zinc/84/91/55/373849155.db2.gz VRQADXUTEKUUDS-SNVBAGLBSA-N 0 3 266.305 -1.655 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000613521565 373849810 /nfs/dbraw/zinc/84/98/10/373849810.db2.gz FTDRXAFEHFBODZ-GXSJLCMTSA-N 0 3 293.389 -1.503 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC000613522627 373849865 /nfs/dbraw/zinc/84/98/65/373849865.db2.gz MXXGJBKMNDNVDS-LBPRGKRZSA-N 0 3 276.300 -1.079 20 0 CAADHN CN1CC[C@](O)(CNC(=O)[C@@H]2CCN=C3C2=NNN3C)C1 ZINC000613523563 373849910 /nfs/dbraw/zinc/84/99/10/373849910.db2.gz WCLPKIJMRTZOKO-RNCFNFMXSA-N 0 3 294.359 -1.606 20 0 CAADHN CCOC(=O)[C@@](C)(O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000613565800 373851370 /nfs/dbraw/zinc/85/13/70/373851370.db2.gz GCFUTBUKGOLOBN-FZMZJTMJSA-N 0 3 299.371 -1.193 20 0 CAADHN CCOC(=O)[C@@](C)(O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000613565801 373851926 /nfs/dbraw/zinc/85/19/26/373851926.db2.gz GCFUTBUKGOLOBN-RISCZKNCSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1(CO)CCOCC1 ZINC000614856993 373901305 /nfs/dbraw/zinc/90/13/05/373901305.db2.gz DVVWAPQONCNMRJ-SNVBAGLBSA-N 0 3 260.334 -1.186 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1(n2cnnn2)CCOCC1 ZINC000614858314 373901373 /nfs/dbraw/zinc/90/13/73/373901373.db2.gz HQCWJRSAOQMGLY-SNVBAGLBSA-N 0 3 298.347 -1.783 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000614857693 373901391 /nfs/dbraw/zinc/90/13/91/373901391.db2.gz JDIWSCPUEWDOOW-DTWKUNHWSA-N 0 3 279.362 -1.941 20 0 CAADHN NC(=O)c1nccnc1N1CCN2C[C@H](O)C[C@H]2C1 ZINC000630091896 373853920 /nfs/dbraw/zinc/85/39/20/373853920.db2.gz IOFNFLLLXVOLEX-DTWKUNHWSA-N 0 3 263.301 -1.169 20 0 CAADHN CCN(CCO)CCNC(=O)C1(n2cnnn2)CC1 ZINC000613585922 373854266 /nfs/dbraw/zinc/85/42/66/373854266.db2.gz HNQYHEXGRRKSDC-UHFFFAOYSA-N 0 3 268.321 -1.407 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1CCCNC1=O ZINC000614855831 373901622 /nfs/dbraw/zinc/90/16/22/373901622.db2.gz ZRJZFUBWHBIANP-SECBINFHSA-N 0 3 258.322 -1.560 20 0 CAADHN Cc1nnc2n1C[C@@H](C(=O)N[C@H](CO)CN(C)C)N(C)C2 ZINC000614859426 373901659 /nfs/dbraw/zinc/90/16/59/373901659.db2.gz ZGVGIGBDJZLUJX-QWRGUYRKSA-N 0 3 296.375 -1.561 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000614857688 373901776 /nfs/dbraw/zinc/90/17/76/373901776.db2.gz JDIWSCPUEWDOOW-BDAKNGLRSA-N 0 3 279.362 -1.941 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCc1cn(C)nn1 ZINC000614857442 373901808 /nfs/dbraw/zinc/90/18/08/373901808.db2.gz BLPYSYSIOCVVAA-JTQLQIEISA-N 0 3 255.322 -1.214 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCc2nnnn2CC1 ZINC000614857771 373901933 /nfs/dbraw/zinc/90/19/33/373901933.db2.gz JXCYZOXLXJNRQP-NXEZZACHSA-N 0 3 282.348 -1.336 20 0 CAADHN CN(C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC(=O)N2)C1 ZINC000614071352 373868941 /nfs/dbraw/zinc/86/89/41/373868941.db2.gz VALDNLMHKREWCI-SKDRFNHKSA-N 0 3 255.318 -1.210 20 0 CAADHN CN(C)C[C@]1(O)CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000614071331 373868978 /nfs/dbraw/zinc/86/89/78/373868978.db2.gz PVSYOCUYGAFLAT-ZWNOBZJWSA-N 0 3 284.360 -1.075 20 0 CAADHN CN(C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000614064771 373870056 /nfs/dbraw/zinc/87/00/56/373870056.db2.gz RSBCGTHPFIPNDE-TVQRCGJNSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000614065801 373870553 /nfs/dbraw/zinc/87/05/53/373870553.db2.gz VTXKYHLPTGTKHC-CABZTGNLSA-N 0 3 272.349 -1.042 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000614065803 373870629 /nfs/dbraw/zinc/87/06/29/373870629.db2.gz VTXKYHLPTGTKHC-JOYOIKCWSA-N 0 3 272.349 -1.042 20 0 CAADHN CN(C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000614064774 373870732 /nfs/dbraw/zinc/87/07/32/373870732.db2.gz RSBCGTHPFIPNDE-ZANVPECISA-N 0 3 298.343 -1.500 20 0 CAADHN CC[C@@H](N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC ZINC000566162861 373943343 /nfs/dbraw/zinc/94/33/43/373943343.db2.gz JJJLHGSKPOCODQ-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1C(=O)NCC(=O)N1CCNCC1 ZINC000565999852 373943621 /nfs/dbraw/zinc/94/36/21/373943621.db2.gz NFLLTRPJGTUUHC-WDEREUQCSA-N 0 3 283.376 -1.190 20 0 CAADHN C[C@H](NC1CC1)C(=O)NCC(=O)N1CCNCC1 ZINC000566204050 373943683 /nfs/dbraw/zinc/94/36/83/373943683.db2.gz DMDPFLBSSPIZFU-VIFPVBQESA-N 0 3 254.334 -1.325 20 0 CAADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCO1 ZINC000566091937 373944122 /nfs/dbraw/zinc/94/41/22/373944122.db2.gz VBRXBEPNKFBZSJ-NWDGAFQWSA-N 0 3 298.387 -1.275 20 0 CAADHN CN1CCN(C(=O)CNC(=O)c2ccccn2)[C@@H](CN)C1 ZINC000566200736 373944320 /nfs/dbraw/zinc/94/43/20/373944320.db2.gz ZLSCHALQFGGHGB-NSHDSACASA-N 0 3 291.355 -1.087 20 0 CAADHN CCN1C[C@H](C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000566104632 373944482 /nfs/dbraw/zinc/94/44/82/373944482.db2.gz VINMMZKHDONPQV-ZJUUUORDSA-N 0 3 255.318 -1.041 20 0 CAADHN CCN1C[C@@H](C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000566104630 373944877 /nfs/dbraw/zinc/94/48/77/373944877.db2.gz VINMMZKHDONPQV-UWVGGRQHSA-N 0 3 255.318 -1.041 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(C(=O)N(C)C)CC1 ZINC000566232018 373945559 /nfs/dbraw/zinc/94/55/59/373945559.db2.gz IUKVZYBHWOSEOP-SNVBAGLBSA-N 0 3 299.375 -1.382 20 0 CAADHN CCC[C@H](O)[C@H](CO)NC[C@@H](O)CN1CCN(C)CC1 ZINC000566230698 373946016 /nfs/dbraw/zinc/94/60/16/373946016.db2.gz BEXAHGNEIUGFJC-RDBSUJKOSA-N 0 3 289.420 -1.294 20 0 CAADHN CCOC[C@H](O)CN[C@@H]1CCCN(CCO)C1=O ZINC000566232211 373946333 /nfs/dbraw/zinc/94/63/33/373946333.db2.gz ZRSDAEHYLYEZDY-GHMZBOCLSA-N 0 3 260.334 -1.043 20 0 CAADHN COC[C@@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)OC ZINC000566250635 373946701 /nfs/dbraw/zinc/94/67/01/373946701.db2.gz ZTQXJKWBTXVBIR-SCZZXKLOSA-N 0 3 289.332 -1.610 20 0 CAADHN CCC[C@H](O)[C@H](CO)NC[C@@H](O)CN1CCOCC1 ZINC000566561801 373947804 /nfs/dbraw/zinc/94/78/04/373947804.db2.gz PFNLUENZFNOPSX-AGIUHOORSA-N 0 3 276.377 -1.209 20 0 CAADHN CC(C)=CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566511795 373948254 /nfs/dbraw/zinc/94/82/54/373948254.db2.gz YMSWYENQHIVMSM-MNOVXSKESA-N 0 3 294.355 -1.161 20 0 CAADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000566379285 373948327 /nfs/dbraw/zinc/94/83/27/373948327.db2.gz LVFQQIYMJAPODK-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000566403902 373949195 /nfs/dbraw/zinc/94/91/95/373949195.db2.gz OSBRELPDBZDFHX-IUCAKERBSA-N 0 3 278.378 -1.361 20 0 CAADHN CN1CCN(C(=O)CCCS(C)(=O)=O)[C@@H](CN)C1 ZINC000566560542 373949202 /nfs/dbraw/zinc/94/92/02/373949202.db2.gz ZIRXHFNBPMYPRR-JTQLQIEISA-N 0 3 277.390 -1.088 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1 ZINC000566614115 373949214 /nfs/dbraw/zinc/94/92/14/373949214.db2.gz MVEZYVRNGMXHSE-LLVKDONJSA-N 0 3 283.376 -2.138 20 0 CAADHN NC(=O)NC(=O)CCN[C@H]1CC(=O)N(C2CC2)C1 ZINC000566615694 373949849 /nfs/dbraw/zinc/94/98/49/373949849.db2.gz UBWUVSKRJZHQCM-ZETCQYMHSA-N 0 3 254.290 -1.076 20 0 CAADHN NC(=O)NC(=O)CCN[C@@H]1CC(=O)N(C2CC2)C1 ZINC000566615693 373949868 /nfs/dbraw/zinc/94/98/68/373949868.db2.gz UBWUVSKRJZHQCM-SSDOTTSWSA-N 0 3 254.290 -1.076 20 0 CAADHN N[C@H]1C[C@@H]2CN(CCC(=O)N3CCOCC3)CCN2C1=O ZINC000566631084 373950598 /nfs/dbraw/zinc/95/05/98/373950598.db2.gz KGACZXHGFNABRA-NEPJUHHUSA-N 0 3 296.371 -1.521 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCN(C)C(=O)C2)[C@@H](CN)C1 ZINC000566614144 373950907 /nfs/dbraw/zinc/95/09/07/373950907.db2.gz QLMKGPDNBZOAQM-JTQLQIEISA-N 0 3 297.359 -2.612 20 0 CAADHN NS(=O)(=O)c1ccc(OCCNC(CO)CO)cc1 ZINC000566628304 373951137 /nfs/dbraw/zinc/95/11/37/373951137.db2.gz LVAQNADEWNMMCT-UHFFFAOYSA-N 0 3 290.341 -1.344 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)C(=O)NC3CCCC3)CCN2C1=O ZINC000566808782 373951158 /nfs/dbraw/zinc/95/11/58/373951158.db2.gz ZXXQNSQTERXNNK-QWRGUYRKSA-N 0 3 294.355 -1.184 20 0 CAADHN CN1CCN(C(=O)C[C@H]2COCCN2)[C@H](CN)C1 ZINC000566854464 373951323 /nfs/dbraw/zinc/95/13/23/373951323.db2.gz PXQRKUYBVHYKSD-WDEREUQCSA-N 0 3 256.350 -1.534 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H]1CNCCC1(F)F ZINC000567912769 373964762 /nfs/dbraw/zinc/96/47/62/373964762.db2.gz UEYKWQLPHBZMFH-ZCFIWIBFSA-N 0 3 271.289 -1.351 20 0 CAADHN O=C(CNC(=O)NCCN1CC=CCC1)N1CCNCC1 ZINC000566845830 373951588 /nfs/dbraw/zinc/95/15/88/373951588.db2.gz RJHAEUICDCAMNS-UHFFFAOYSA-N 0 3 295.387 -1.021 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC3CCCC3)CCN2C1=O ZINC000566808783 373951608 /nfs/dbraw/zinc/95/16/08/373951608.db2.gz ZXXQNSQTERXNNK-WDEREUQCSA-N 0 3 294.355 -1.184 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(CCOC)C1 ZINC000566745337 373951703 /nfs/dbraw/zinc/95/17/03/373951703.db2.gz YGVOGTZJOYMPIQ-VIFPVBQESA-N 0 3 294.377 -2.123 20 0 CAADHN CC(C)N(C)CCNC(=O)C(=O)NCC(=O)N(C)C ZINC000153815491 373952796 /nfs/dbraw/zinc/95/27/96/373952796.db2.gz ZEZPHCVWVZRBJE-UHFFFAOYSA-N 0 3 272.349 -1.353 20 0 CAADHN O=C(NCCN1CCNC(=O)C1)[C@@H]1CN2CCN1CCC2 ZINC000567137068 373952882 /nfs/dbraw/zinc/95/28/82/373952882.db2.gz ZJBDRPBCLBZBIJ-LBPRGKRZSA-N 0 3 295.387 -2.076 20 0 CAADHN C[C@@H]1CN(CCCNC(=O)C(=O)NC2CNC2)C[C@H](C)O1 ZINC000567223242 373953122 /nfs/dbraw/zinc/95/31/22/373953122.db2.gz BEPGVZDIPXPBAQ-PHIMTYICSA-N 0 3 298.387 -1.310 20 0 CAADHN O=C(CNC1CC1)NCCN1CCCS1(=O)=O ZINC000405463317 373953213 /nfs/dbraw/zinc/95/32/13/373953213.db2.gz YUHQJBYHCACKLH-UHFFFAOYSA-N 0 3 261.347 -1.110 20 0 CAADHN COC(=O)C1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000567062563 373953227 /nfs/dbraw/zinc/95/32/27/373953227.db2.gz APSBZDQKTGHDQM-IUCAKERBSA-N 0 3 281.312 -1.290 20 0 CAADHN O=C(NCCN1CCCC1=O)C(=O)N1CCCNCC1 ZINC000405301042 373953240 /nfs/dbraw/zinc/95/32/40/373953240.db2.gz SMLLPAVMJFYCQC-UHFFFAOYSA-N 0 3 282.344 -1.453 20 0 CAADHN C[C@H](NC(=O)C(=O)NC1CNC1)C(=O)N1CCCC[C@@H]1C ZINC000567031676 373953291 /nfs/dbraw/zinc/95/32/91/373953291.db2.gz HANANRXSSUYRDX-UWVGGRQHSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H]1CN(CCCNC(=O)C(=O)NC2CNC2)C[C@H](C)O1 ZINC000567223243 373953495 /nfs/dbraw/zinc/95/34/95/373953495.db2.gz BEPGVZDIPXPBAQ-QWRGUYRKSA-N 0 3 298.387 -1.310 20 0 CAADHN CN1CC[C@H]2CCN(C(=O)CN3CCNCC3=O)[C@@H]2C1 ZINC000567046772 373954149 /nfs/dbraw/zinc/95/41/49/373954149.db2.gz UWTKQANNUZBLBZ-NWDGAFQWSA-N 0 3 280.372 -1.029 20 0 CAADHN CN(C)CCN1C(=O)C[C@@H](N2CCN(C)C(=O)C2)C1=O ZINC000567114442 373954274 /nfs/dbraw/zinc/95/42/74/373954274.db2.gz NDDAROYCKGQMJC-SNVBAGLBSA-N 0 3 282.344 -1.551 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCC(=O)N(C)C ZINC000153661815 373954301 /nfs/dbraw/zinc/95/43/01/373954301.db2.gz FTGUTAWNYOEIDV-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN O=C(NCCN1CCNC(=O)C1)[C@H]1CN2CCN1CCC2 ZINC000567137067 373954379 /nfs/dbraw/zinc/95/43/79/373954379.db2.gz ZJBDRPBCLBZBIJ-GFCCVEGCSA-N 0 3 295.387 -2.076 20 0 CAADHN C[C@H](NC(=O)C(=O)NC1CNC1)C(=O)N1CCCC[C@H]1C ZINC000567031678 373954452 /nfs/dbraw/zinc/95/44/52/373954452.db2.gz HANANRXSSUYRDX-ZJUUUORDSA-N 0 3 296.371 -1.020 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCC(=O)N(C)C ZINC000153661928 373954589 /nfs/dbraw/zinc/95/45/89/373954589.db2.gz FTGUTAWNYOEIDV-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)COC1CNC1 ZINC000567236825 373954785 /nfs/dbraw/zinc/95/47/85/373954785.db2.gz RLHOLLXSQWUZPU-VIFPVBQESA-N 0 3 285.300 -2.135 20 0 CAADHN O=C(CN1CCCC1)N1CCN([C@H]2COC[C@H]2O)CC1 ZINC000567413952 373955638 /nfs/dbraw/zinc/95/56/38/373955638.db2.gz VEJGEFBRULRXRW-QWHCGFSZSA-N 0 3 283.372 -1.014 20 0 CAADHN O=C(CN1CCCC1)N1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000567413951 373955868 /nfs/dbraw/zinc/95/58/68/373955868.db2.gz VEJGEFBRULRXRW-CHWSQXEVSA-N 0 3 283.372 -1.014 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN(C(=O)CO)CC1 ZINC000567363433 373956144 /nfs/dbraw/zinc/95/61/44/373956144.db2.gz FUGWSILNXCRNNH-GFCCVEGCSA-N 0 3 289.376 -1.938 20 0 CAADHN CCN1C[C@@H](NC[C@@H](O)CN2CCN(C)CC2)CC1=O ZINC000567464903 373956786 /nfs/dbraw/zinc/95/67/86/373956786.db2.gz ABMYNDKDPQOTAH-QWHCGFSZSA-N 0 3 284.404 -1.195 20 0 CAADHN CN1CCN(C[C@@H]2CCCN(C(=O)CN)C2)CC1=O ZINC000568007723 373965139 /nfs/dbraw/zinc/96/51/39/373965139.db2.gz YNSKAFGAZPERTP-NSHDSACASA-N 0 3 268.361 -1.042 20 0 CAADHN CC1CCN(C[C@H](O)CNC(=O)Cn2cn[nH]c2=O)CC1 ZINC000156165346 373958296 /nfs/dbraw/zinc/95/82/96/373958296.db2.gz NOLKXGCWLBZJNH-LLVKDONJSA-N 0 3 297.359 -1.220 20 0 CAADHN CCN(CC)CC(=O)N1CCN(C(=O)CO)CC1 ZINC000156750850 373958719 /nfs/dbraw/zinc/95/87/19/373958719.db2.gz VCTKGOMBZSGSTF-UHFFFAOYSA-N 0 3 257.334 -1.009 20 0 CAADHN CC1CCN(C[C@@H](O)CNC(=O)Cn2cn[nH]c2=O)CC1 ZINC000156165464 373959506 /nfs/dbraw/zinc/95/95/06/373959506.db2.gz NOLKXGCWLBZJNH-NSHDSACASA-N 0 3 297.359 -1.220 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NC2CNC2)CCN1CC(C)(C)O ZINC000567573513 373959639 /nfs/dbraw/zinc/95/96/39/373959639.db2.gz JSNADRCNRZRNSB-SNVBAGLBSA-N 0 3 298.387 -1.622 20 0 CAADHN COCCNCCNC(=O)[C@@H](C)N1CCN(C)CC1 ZINC000567736201 373959758 /nfs/dbraw/zinc/95/97/58/373959758.db2.gz QFZTXCJSMUDXKV-GFCCVEGCSA-N 0 3 272.393 -1.026 20 0 CAADHN OC[C@H](CN1CCCC1)NC[C@H](O)CN1CCOCC1 ZINC000567873466 373960895 /nfs/dbraw/zinc/96/08/95/373960895.db2.gz WPVWRIHHKJZGAY-KBPBESRZSA-N 0 3 287.404 -1.274 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CNC[C@@](C)(O)CO)C[C@H](C)O1 ZINC000567876982 373961007 /nfs/dbraw/zinc/96/10/07/373961007.db2.gz DHTLIYJUFNEVJR-YVECIDJPSA-N 0 3 276.377 -1.211 20 0 CAADHN C[C@H](NC1CC1)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000567822263 373961208 /nfs/dbraw/zinc/96/12/08/373961208.db2.gz AXKNIEFLSTXMJP-NSHDSACASA-N 0 3 298.387 -1.309 20 0 CAADHN CC[C@H](C(=O)N1CCN(C(=O)CO)CC1)N(C)C ZINC000129642342 373906028 /nfs/dbraw/zinc/90/60/28/373906028.db2.gz NJFGUOUSRWOTPL-SNVBAGLBSA-N 0 3 257.334 -1.010 20 0 CAADHN Cn1ccc(=O)n(CCCNC(=O)C2(N)CCC2)c1=O ZINC000567823000 373962254 /nfs/dbraw/zinc/96/22/54/373962254.db2.gz DIERKCCBECYYPD-UHFFFAOYSA-N 0 3 280.328 -1.065 20 0 CAADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)CNCCOC)C1 ZINC000567815835 373962343 /nfs/dbraw/zinc/96/23/43/373962343.db2.gz SOFCVAJLKXCKRX-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CN(CCC(=O)N(CC(N)=O)CC(N)=O)c1ccncc1 ZINC000542785272 373910222 /nfs/dbraw/zinc/91/02/22/373910222.db2.gz KVOCXZXDZHSYGZ-UHFFFAOYSA-N 0 3 293.327 -1.293 20 0 CAADHN O=C(NCCN1CC[C@@H](O)C1)NCCN1CCOCC1 ZINC000630397580 373910914 /nfs/dbraw/zinc/91/09/14/373910914.db2.gz YOERIZRBVRVZHC-GFCCVEGCSA-N 0 3 286.376 -1.316 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@H]2COCCO2)C1 ZINC000545176810 373914253 /nfs/dbraw/zinc/91/42/53/373914253.db2.gz ONQIDGAXGKMQJS-CMPLNLGQSA-N 0 3 273.333 -1.232 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCCN2CCOCC2)C1 ZINC000545127231 373914425 /nfs/dbraw/zinc/91/44/25/373914425.db2.gz USNBYINHOIBHJA-CYBMUJFWSA-N 0 3 286.376 -1.316 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@@H]2CCCN(C)C2=O)C1 ZINC000545178072 373914671 /nfs/dbraw/zinc/91/46/71/373914671.db2.gz RBHFDMVBGPKJOC-ZWNOBZJWSA-N 0 3 284.360 -1.027 20 0 CAADHN O=C(Nc1nnc2[nH]cnn12)[C@@H]1CN2CCN1CCC2 ZINC000614990690 373915081 /nfs/dbraw/zinc/91/50/81/373915081.db2.gz GCYDWKFHNRPGHL-QMMMGPOBSA-N 0 3 276.304 -1.219 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@H]2COCCO2)C1 ZINC000545176817 373915370 /nfs/dbraw/zinc/91/53/70/373915370.db2.gz ONQIDGAXGKMQJS-JQWIXIFHSA-N 0 3 273.333 -1.232 20 0 CAADHN CN(C)CCN1CCN(C(=O)C2CS(=O)(=O)C2)CC1 ZINC000630573122 373915654 /nfs/dbraw/zinc/91/56/54/373915654.db2.gz TWUOTMCKUNDNOG-UHFFFAOYSA-N 0 3 289.401 -1.263 20 0 CAADHN CCc1nncn1CCNC(=O)COC1CNC1 ZINC000567806103 373962676 /nfs/dbraw/zinc/96/26/76/373962676.db2.gz LQOMIXOOPBLQOP-UHFFFAOYSA-N 0 3 253.306 -1.055 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)NC1=O ZINC000627269407 373915711 /nfs/dbraw/zinc/91/57/11/373915711.db2.gz SAYVVZGHIQMAOJ-GMTAPVOTSA-N 0 3 282.344 -1.323 20 0 CAADHN O=C(Nc1nnc2[nH]cnn12)[C@H]1CN2CCN1CCC2 ZINC000614990689 373915840 /nfs/dbraw/zinc/91/58/40/373915840.db2.gz GCYDWKFHNRPGHL-MRVPVSSYSA-N 0 3 276.304 -1.219 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000615079461 373919629 /nfs/dbraw/zinc/91/96/29/373919629.db2.gz IEJYSOOYOKFPFP-UTLUCORTSA-N 0 3 293.389 -1.553 20 0 CAADHN CCC[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)S(N)(=O)=O ZINC000615079202 373920294 /nfs/dbraw/zinc/92/02/94/373920294.db2.gz FHWYAGHCEAAWLK-GUBZILKMSA-N 0 3 293.389 -1.423 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000615186353 373921765 /nfs/dbraw/zinc/92/17/65/373921765.db2.gz ZHESMQDKULVHKV-VHSXEESVSA-N 0 3 290.389 -1.455 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)[C@@H]2C1 ZINC000615184762 373922157 /nfs/dbraw/zinc/92/21/57/373922157.db2.gz UOIUXPMHXWSJJD-VECUTGAWSA-N 0 3 282.340 -1.438 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000615186352 373923144 /nfs/dbraw/zinc/92/31/44/373923144.db2.gz ZHESMQDKULVHKV-UWVGGRQHSA-N 0 3 290.389 -1.455 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC000615184751 373923180 /nfs/dbraw/zinc/92/31/80/373923180.db2.gz UOIUXPMHXWSJJD-BQSNPHCVSA-N 0 3 282.340 -1.438 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000627275237 373924188 /nfs/dbraw/zinc/92/41/88/373924188.db2.gz GGXOVNSFBKJSOW-HLTSFMKQSA-N 0 3 259.306 -1.942 20 0 CAADHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)CNC(N)=O ZINC000615259312 373924534 /nfs/dbraw/zinc/92/45/34/373924534.db2.gz GTYUHUABZWUOBF-UWVGGRQHSA-N 0 3 270.333 -1.024 20 0 CAADHN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(C)C2)O1 ZINC000554597813 373926697 /nfs/dbraw/zinc/92/66/97/373926697.db2.gz LVOQVZVPFOMXJU-WDMOLILDSA-N 0 3 299.371 -1.195 20 0 CAADHN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C)C2)O1 ZINC000554597812 373927083 /nfs/dbraw/zinc/92/70/83/373927083.db2.gz LVOQVZVPFOMXJU-MISXGVKJSA-N 0 3 299.371 -1.195 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1CC(=O)N(C)C1=O ZINC000627275855 373927703 /nfs/dbraw/zinc/92/77/03/373927703.db2.gz SVAXQSSVNKRHQF-QMMMGPOBSA-N 0 3 272.305 -2.081 20 0 CAADHN CNS(=O)(=O)CCNC[C@@H](O)COC(C)C ZINC000564445235 373928730 /nfs/dbraw/zinc/92/87/30/373928730.db2.gz AGFQMFHPERCFMO-SECBINFHSA-N 0 3 254.352 -1.089 20 0 CAADHN NC(C(=O)NCC(=O)N1CCOCC1)C(F)(F)F ZINC000564566200 373929382 /nfs/dbraw/zinc/92/93/82/373929382.db2.gz AZDORDSZCVWQRQ-SSDOTTSWSA-N 0 3 269.223 -1.149 20 0 CAADHN NC(C(=O)NCC(=O)N1CCOCC1)C(F)(F)F ZINC000564566207 373929392 /nfs/dbraw/zinc/92/93/92/373929392.db2.gz AZDORDSZCVWQRQ-ZETCQYMHSA-N 0 3 269.223 -1.149 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@H](C)N1CCCC1 ZINC000564704739 373931865 /nfs/dbraw/zinc/93/18/65/373931865.db2.gz HQSNZCIQOPSHME-SECBINFHSA-N 0 3 278.378 -1.359 20 0 CAADHN CC[C@H](N)C(=O)N1CCNC(=O)[C@@H]1CC(=O)OC ZINC000564996307 373933275 /nfs/dbraw/zinc/93/32/75/373933275.db2.gz SFEJPKFEDJEDMR-YUMQZZPRSA-N 0 3 257.290 -1.386 20 0 CAADHN Cn1cnn(CC(=O)N2CCN(C)C[C@@H]2CN)c1=O ZINC000564944464 373933355 /nfs/dbraw/zinc/93/33/55/373933355.db2.gz XHBIOJMTEHAJPR-VIFPVBQESA-N 0 3 268.321 -2.317 20 0 CAADHN CN1CCN(C(=O)C(=O)NCC2CC2)[C@@H](CN)C1 ZINC000564988060 373933484 /nfs/dbraw/zinc/93/34/84/373933484.db2.gz YYDGOLPTGAFOMO-JTQLQIEISA-N 0 3 254.334 -1.386 20 0 CAADHN COCCNCC(=O)NCCCn1c(=O)ccn(C)c1=O ZINC000564936105 373933503 /nfs/dbraw/zinc/93/35/03/373933503.db2.gz DASKQJPUAHWIKO-UHFFFAOYSA-N 0 3 298.343 -1.711 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@H]1CNCCC1(F)F ZINC000564954790 373933969 /nfs/dbraw/zinc/93/39/69/373933969.db2.gz QCNTZWVMFVQHCR-LURJTMIESA-N 0 3 276.243 -1.348 20 0 CAADHN O=C(NCCN1CCCC1=O)NC[C@@H]1CNCCO1 ZINC000565095021 373934330 /nfs/dbraw/zinc/93/43/30/373934330.db2.gz OWGZYWZISPKRLH-JTQLQIEISA-N 0 3 270.333 -1.104 20 0 CAADHN C[C@H]1C[C@H](NC(=O)C(=O)N(CCN)CCO)CO1 ZINC000564977931 373934345 /nfs/dbraw/zinc/93/43/45/373934345.db2.gz BFUYKRSYQDUSLW-IUCAKERBSA-N 0 3 259.306 -1.940 20 0 CAADHN CN(C)CCn1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)n1 ZINC000565180941 373935582 /nfs/dbraw/zinc/93/55/82/373935582.db2.gz KVQGLTISVGBXIU-VIFPVBQESA-N 0 3 293.327 -1.020 20 0 CAADHN CN(C)CCn1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)n1 ZINC000565180938 373936093 /nfs/dbraw/zinc/93/60/93/373936093.db2.gz KVQGLTISVGBXIU-SECBINFHSA-N 0 3 293.327 -1.020 20 0 CAADHN COCCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565232018 373936455 /nfs/dbraw/zinc/93/64/55/373936455.db2.gz QEFFODNSCKGZFG-UWVGGRQHSA-N 0 3 270.333 -1.024 20 0 CAADHN CN(C)CCn1ccc(C(=O)N(C)C[C@H](O)CO)n1 ZINC000565193089 373936750 /nfs/dbraw/zinc/93/67/50/373936750.db2.gz YYFVVBSEISKMRI-JTQLQIEISA-N 0 3 270.333 -1.130 20 0 CAADHN CCc1noc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000565844922 373940733 /nfs/dbraw/zinc/94/07/33/373940733.db2.gz FLQDELGHZUXRIV-SFYZADRCSA-N 0 3 294.315 -1.170 20 0 CAADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](CN)OC)C1 ZINC000565832305 373941138 /nfs/dbraw/zinc/94/11/38/373941138.db2.gz QJNGJUGHMCTQJE-RKDXNWHRSA-N 0 3 279.362 -1.500 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000565878371 373941737 /nfs/dbraw/zinc/94/17/37/373941737.db2.gz QVDBVFZIAACQGI-SDDRHHMPSA-N 0 3 299.371 -1.074 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CCN(CC(N)=O)CC2)C1 ZINC000565724338 373941797 /nfs/dbraw/zinc/94/17/97/373941797.db2.gz GIZADJFCWITPLX-LLVKDONJSA-N 0 3 268.361 -1.042 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](CN)OC ZINC000565833791 373942020 /nfs/dbraw/zinc/94/20/20/373942020.db2.gz FGTFELKPABHWOM-SFYZADRCSA-N 0 3 273.289 -2.150 20 0 CAADHN C[C@H]1NCCN(C(=O)NCC(=O)N2CCNCC2)[C@H]1C ZINC000565999850 373942297 /nfs/dbraw/zinc/94/22/97/373942297.db2.gz NFLLTRPJGTUUHC-MNOVXSKESA-N 0 3 283.376 -1.190 20 0 CAADHN CCNC(=O)NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578906383 373995279 /nfs/dbraw/zinc/99/52/79/373995279.db2.gz NVOOLAOGQMDFNE-IUCAKERBSA-N 0 3 283.332 -1.924 20 0 CAADHN C[C@H]([NH3+])[C@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000578866738 373995302 /nfs/dbraw/zinc/99/53/02/373995302.db2.gz VDMFRJWHPIOJNJ-YUMQZZPRSA-N 0 3 289.361 -1.450 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC000578770285 373995385 /nfs/dbraw/zinc/99/53/85/373995385.db2.gz NXNMIJNEWZMVGS-JTQLQIEISA-N 0 3 292.343 -1.094 20 0 CAADHN CCCN(C)S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578787425 373995434 /nfs/dbraw/zinc/99/54/34/373995434.db2.gz OHWWFPNOGFQBLO-UWVGGRQHSA-N 0 3 290.389 -1.183 20 0 CAADHN CN(C)c1nc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc(=O)[n-]1 ZINC000578986264 373995522 /nfs/dbraw/zinc/99/55/22/373995522.db2.gz SEPRYMDFCHUZRQ-VIFPVBQESA-N 0 3 294.359 -1.037 20 0 CAADHN CN1CCN(C(=O)CNC(=O)C2CC2)[C@@H](CN)C1 ZINC000578889138 373995542 /nfs/dbraw/zinc/99/55/42/373995542.db2.gz BSNYVCCDXYPDSL-JTQLQIEISA-N 0 3 254.334 -1.386 20 0 CAADHN CCNC(=O)NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578906379 373995765 /nfs/dbraw/zinc/99/57/65/373995765.db2.gz NVOOLAOGQMDFNE-BDAKNGLRSA-N 0 3 283.332 -1.924 20 0 CAADHN CCOCCOC1CN(C(=O)C(=O)NC2CNC2)C1 ZINC000578745523 373995952 /nfs/dbraw/zinc/99/59/52/373995952.db2.gz CBZSRNZBFKUXKZ-UHFFFAOYSA-N 0 3 271.317 -1.662 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CCO1 ZINC000578995079 373996106 /nfs/dbraw/zinc/99/61/06/373996106.db2.gz VAVSTMKATCSRPE-GHMZBOCLSA-N 0 3 284.360 -1.665 20 0 CAADHN C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)[C@H](C)[NH3+] ZINC000578866736 373996554 /nfs/dbraw/zinc/99/65/54/373996554.db2.gz VDMFRJWHPIOJNJ-JGVFFNPUSA-N 0 3 289.361 -1.450 20 0 CAADHN CCCN(C)S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578787424 373996668 /nfs/dbraw/zinc/99/66/68/373996668.db2.gz OHWWFPNOGFQBLO-NXEZZACHSA-N 0 3 290.389 -1.183 20 0 CAADHN CCCN(C)S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578787427 373996687 /nfs/dbraw/zinc/99/66/87/373996687.db2.gz OHWWFPNOGFQBLO-ZJUUUORDSA-N 0 3 290.389 -1.183 20 0 CAADHN C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000579091984 373997888 /nfs/dbraw/zinc/99/78/88/373997888.db2.gz FKENLTLNMHXLME-GMTAPVOTSA-N 0 3 268.361 -1.140 20 0 CAADHN COC[C@@H](C)CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000579217214 373998278 /nfs/dbraw/zinc/99/82/78/373998278.db2.gz YXGJEAUEBRKNST-WDEREUQCSA-N 0 3 286.376 -1.514 20 0 CAADHN CN1C[C@@H](NC(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000579215910 373998762 /nfs/dbraw/zinc/99/87/62/373998762.db2.gz OKPVMLQHTVWRRD-VHSXEESVSA-N 0 3 269.349 -1.499 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)NC2CNC2)CC[C@H]1C ZINC000579454131 373999994 /nfs/dbraw/zinc/99/99/94/373999994.db2.gz MPXLGIVWEAMHDS-PSASIEDQSA-N 0 3 255.318 -1.042 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1O ZINC000579287720 374000252 /nfs/dbraw/zinc/00/02/52/374000252.db2.gz QJFAFDUFBOWMAF-XKNYDFJKSA-N 0 3 271.317 -1.847 20 0 CAADHN CO[C@H]1CN(C(=O)C(=O)NC2CNC2)CC[C@@H]1C ZINC000579454134 374000261 /nfs/dbraw/zinc/00/02/61/374000261.db2.gz MPXLGIVWEAMHDS-WPRPVWTQSA-N 0 3 255.318 -1.042 20 0 CAADHN CC(C)NS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579495536 374000656 /nfs/dbraw/zinc/00/06/56/374000656.db2.gz DUGWJTFXBCKJHD-IUCAKERBSA-N 0 3 276.362 -1.527 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)[C@@H](CN)C1 ZINC000579354913 374000861 /nfs/dbraw/zinc/00/08/61/374000861.db2.gz ILHAIZVCXMZLEV-MNOVXSKESA-N 0 3 283.376 -1.122 20 0 CAADHN CNC(=O)N[C@H]1CCN(C[C@@H](O)CN(C)CCOC)C1 ZINC000579489517 374001125 /nfs/dbraw/zinc/00/11/25/374001125.db2.gz WEMMHTCVPKLWBT-RYUDHWBXSA-N 0 3 288.392 -1.071 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN(C)C(=O)C1 ZINC000579669015 374004407 /nfs/dbraw/zinc/00/44/07/374004407.db2.gz JLTFDYJGMJKEKM-LLVKDONJSA-N 0 3 259.350 -1.301 20 0 CAADHN COC(=O)CCNC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579853318 374005445 /nfs/dbraw/zinc/00/54/45/374005445.db2.gz MBAWHIJJWCUPLJ-VHSXEESVSA-N 0 3 298.343 -2.091 20 0 CAADHN COCCn1cc(S(=O)(=O)NC2CNC2)cn1 ZINC000579836200 374005457 /nfs/dbraw/zinc/00/54/57/374005457.db2.gz DJDQYMAKCGDGFN-UHFFFAOYSA-N 0 3 260.319 -1.220 20 0 CAADHN CCOCC[C@@H](O)CNCCS(=O)(=O)NC ZINC000579829222 374005637 /nfs/dbraw/zinc/00/56/37/374005637.db2.gz XYHIMESLURNWHS-SECBINFHSA-N 0 3 254.352 -1.087 20 0 CAADHN CS(=O)(=O)c1ccc(S(=O)(=O)NC2CNC2)cn1 ZINC000579836150 374005765 /nfs/dbraw/zinc/00/57/65/374005765.db2.gz BJSJPTJSFGFSDX-UHFFFAOYSA-N 0 3 291.354 -1.265 20 0 CAADHN CCNC(=O)CC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000579852520 374006121 /nfs/dbraw/zinc/00/61/21/374006121.db2.gz OWFBKPSBKPQEJV-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)C(=O)NCCN(C)C)C1 ZINC000579852494 374006459 /nfs/dbraw/zinc/00/64/59/374006459.db2.gz OGJXBBFJOUZEER-SECBINFHSA-N 0 3 284.360 -1.353 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCSC[C@@H]1CCO ZINC000579937200 374007731 /nfs/dbraw/zinc/00/77/31/374007731.db2.gz KQRHOXUQVNXOAA-VIFPVBQESA-N 0 3 273.358 -1.599 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CCCN(CCCO)C2)NC1=O ZINC000615658605 374023474 /nfs/dbraw/zinc/02/34/74/374023474.db2.gz HZLLYESSRUCUIN-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCN)C1=O ZINC000579952571 374008153 /nfs/dbraw/zinc/00/81/53/374008153.db2.gz GUIOUJIKVLMTCC-QMMMGPOBSA-N 0 3 270.333 -1.423 20 0 CAADHN Cn1nnc(CN2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000193338187 374008370 /nfs/dbraw/zinc/00/83/70/374008370.db2.gz IRNXMQBNMMLZOR-UHFFFAOYSA-N 0 3 293.375 -1.050 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CCCN(CCCO)C2)NC1=O ZINC000615658603 374023753 /nfs/dbraw/zinc/02/37/53/374023753.db2.gz HZLLYESSRUCUIN-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC(O)(CO)C2)CC1=O ZINC000615427093 374011614 /nfs/dbraw/zinc/01/16/14/374011614.db2.gz JXTCAESGEVMKCJ-JTQLQIEISA-N 0 3 285.344 -2.038 20 0 CAADHN CN(C)CCn1ccc(C(=O)N2CC(O)(CO)C2)n1 ZINC000615437840 374015238 /nfs/dbraw/zinc/01/52/38/374015238.db2.gz YIEVIKIXZPYKIY-UHFFFAOYSA-N 0 3 268.317 -1.376 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCCO)[C@H]1CC(=O)N1 ZINC000615480635 374017201 /nfs/dbraw/zinc/01/72/01/374017201.db2.gz QBBHDDKPRQXMAS-VHSXEESVSA-N 0 3 255.318 -1.162 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@H]2CCCN2CCCO)NC1=O ZINC000615480990 374017500 /nfs/dbraw/zinc/01/75/00/374017500.db2.gz WIQIFTUBIHXYIU-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN CNCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000037808965 374017591 /nfs/dbraw/zinc/01/75/91/374017591.db2.gz UTBKQCRADOWHQR-UHFFFAOYSA-N 0 3 264.351 -1.844 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@H]2CCCN2CCCO)NC1=O ZINC000615480991 374017686 /nfs/dbraw/zinc/01/76/86/374017686.db2.gz WIQIFTUBIHXYIU-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H]2CCCN2CCCO)NC1=O ZINC000615480985 374017820 /nfs/dbraw/zinc/01/78/20/374017820.db2.gz WIQIFTUBIHXYIU-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCn2cnnc2)CC1=O ZINC000615632512 374020823 /nfs/dbraw/zinc/02/08/23/374020823.db2.gz LDMUMEHGSUJOIB-LLVKDONJSA-N 0 3 294.359 -1.196 20 0 CAADHN O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1CC(=O)NC(=O)N1 ZINC000615657093 374020903 /nfs/dbraw/zinc/02/09/03/374020903.db2.gz MPDMUNUWRIBFFE-UWVGGRQHSA-N 0 3 298.343 -1.453 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H]2CCCCN2CCO)NC1=O ZINC000615657154 374020973 /nfs/dbraw/zinc/02/09/73/374020973.db2.gz NKFRKCTVDGKFGI-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN CN[C@@H](C)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000568234660 373966869 /nfs/dbraw/zinc/96/68/69/373966869.db2.gz XDDPPGQFAAEWLK-JTQLQIEISA-N 0 3 272.349 -1.841 20 0 CAADHN C[C@H](NC(=O)C(=O)NCC(F)F)C(=O)NCCN(C)C ZINC000568222030 373967058 /nfs/dbraw/zinc/96/70/58/373967058.db2.gz HMYMSQYALHIDDT-ZETCQYMHSA-N 0 3 294.302 -1.450 20 0 CAADHN CN(C)CCn1nccc1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000615377365 373967157 /nfs/dbraw/zinc/96/71/57/373967157.db2.gz PBLHBFNUMUCAKZ-QMMMGPOBSA-N 0 3 294.315 -1.019 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN2CCOC[C@@H]2C1 ZINC000568166858 373967270 /nfs/dbraw/zinc/96/72/70/373967270.db2.gz VTBMVEOCNBZOBS-KBPBESRZSA-N 0 3 287.404 -1.058 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@@H]2CCCCN2CCO)NC1=O ZINC000615657153 374021111 /nfs/dbraw/zinc/02/11/11/374021111.db2.gz NKFRKCTVDGKFGI-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN O=C(NC[C@H]1CCCCN1CCO)[C@H]1CC(=O)N1 ZINC000615657547 374021229 /nfs/dbraw/zinc/02/12/29/374021229.db2.gz UGLUISTXJGTFFW-NXEZZACHSA-N 0 3 255.318 -1.162 20 0 CAADHN COCCN(C)C[C@@H](O)CN[C@]1(C(=O)OC)CCOC1 ZINC000568408864 373969864 /nfs/dbraw/zinc/96/98/64/373969864.db2.gz CNVATDFDQPKGLK-WCQYABFASA-N 0 3 290.360 -1.153 20 0 CAADHN COCCN(C)C[C@H](O)CN[C@]1(C(=O)OC)CCOC1 ZINC000568408863 373970215 /nfs/dbraw/zinc/97/02/15/373970215.db2.gz CNVATDFDQPKGLK-DGCLKSJQSA-N 0 3 290.360 -1.153 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568267193 373970323 /nfs/dbraw/zinc/97/03/23/373970323.db2.gz CDJJXRKZWWLMPT-UTLUCORTSA-N 0 3 254.334 -1.293 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568267192 373970573 /nfs/dbraw/zinc/97/05/73/373970573.db2.gz CDJJXRKZWWLMPT-OPRDCNLKSA-N 0 3 254.334 -1.293 20 0 CAADHN COCCOCCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568769328 373971707 /nfs/dbraw/zinc/97/17/07/373971707.db2.gz FUOXYVNNPGLXDU-GHMZBOCLSA-N 0 3 257.334 -1.107 20 0 CAADHN COCCOCCN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568769333 373971871 /nfs/dbraw/zinc/97/18/71/373971871.db2.gz FUOXYVNNPGLXDU-MNOVXSKESA-N 0 3 257.334 -1.107 20 0 CAADHN O=C(C[C@H]1CNCCO1)NCCNC(=O)c1ccn[nH]1 ZINC000568864146 373972097 /nfs/dbraw/zinc/97/20/97/373972097.db2.gz ZEISSVZVLSJSQY-VIFPVBQESA-N 0 3 281.316 -1.366 20 0 CAADHN COCCOCCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568769334 373972118 /nfs/dbraw/zinc/97/21/18/373972118.db2.gz FUOXYVNNPGLXDU-QWRGUYRKSA-N 0 3 257.334 -1.107 20 0 CAADHN NCC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000568884392 373972348 /nfs/dbraw/zinc/97/23/48/373972348.db2.gz NKZNSJAYBYAPQP-JTQLQIEISA-N 0 3 254.334 -1.385 20 0 CAADHN O=C(C[C@@H]1CNCCO1)NCCNC(=O)c1ccn[nH]1 ZINC000568864145 373972802 /nfs/dbraw/zinc/97/28/02/373972802.db2.gz ZEISSVZVLSJSQY-SECBINFHSA-N 0 3 281.316 -1.366 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCn2cnnc2)CC1=O ZINC000615632516 374021511 /nfs/dbraw/zinc/02/15/11/374021511.db2.gz LDMUMEHGSUJOIB-NSHDSACASA-N 0 3 294.359 -1.196 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000569215948 373974567 /nfs/dbraw/zinc/97/45/67/373974567.db2.gz DORCZXLMCWZSGY-UWVGGRQHSA-N 0 3 280.328 -1.656 20 0 CAADHN CC(C)[C@H](CNC(=O)C(=O)NC1CNC1)N1CCOCC1 ZINC000568966816 373974589 /nfs/dbraw/zinc/97/45/89/373974589.db2.gz BXVQJBCRAOBCMC-LBPRGKRZSA-N 0 3 298.387 -1.453 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1O ZINC000569000190 373975276 /nfs/dbraw/zinc/97/52/76/373975276.db2.gz JVZPXUGVKGRILP-UWVGGRQHSA-N 0 3 255.318 -1.354 20 0 CAADHN O=C(NC[C@H]1CCCCN1CCO)[C@@H]1CC(=O)NC(=O)N1 ZINC000615657094 374021599 /nfs/dbraw/zinc/02/15/99/374021599.db2.gz MPDMUNUWRIBFFE-ZJUUUORDSA-N 0 3 298.343 -1.453 20 0 CAADHN COCCN(CCN(C)C)C(=O)[C@@H](CO)NC(N)=O ZINC000572724214 373977107 /nfs/dbraw/zinc/97/71/07/373977107.db2.gz HFTJKBDJAXGYBB-SECBINFHSA-N 0 3 276.337 -1.948 20 0 CAADHN COC[C@](C)(O)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000572974384 373977203 /nfs/dbraw/zinc/97/72/03/373977203.db2.gz UDVPCLNVHUGZNC-CABZTGNLSA-N 0 3 275.349 -1.434 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H]2CCCCN2CCO)NC1=O ZINC000615657151 374021668 /nfs/dbraw/zinc/02/16/68/374021668.db2.gz NKFRKCTVDGKFGI-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000572958843 373977497 /nfs/dbraw/zinc/97/74/97/373977497.db2.gz NEXMESZPEKQXPR-VXGBXAGGSA-N 0 3 268.361 -1.044 20 0 CAADHN CCOCCNC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000572618048 373977937 /nfs/dbraw/zinc/97/79/37/373977937.db2.gz PLHUDKLTPRGYLB-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN CN1CC(=O)N(CC(=O)N2CCN(C)C[C@H]2CN)C1=O ZINC000572842588 373978247 /nfs/dbraw/zinc/97/82/47/373978247.db2.gz LQYVNKHGAATORO-SECBINFHSA-N 0 3 283.332 -2.018 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)CC(=O)N(C)C ZINC000573188432 373979541 /nfs/dbraw/zinc/97/95/41/373979541.db2.gz JGCBGHRFWRDYPG-LLVKDONJSA-N 0 3 261.366 -1.055 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)C1 ZINC000573258203 373979744 /nfs/dbraw/zinc/97/97/44/373979744.db2.gz UUOLFBZEFGMONI-SNVBAGLBSA-N 0 3 292.405 -1.065 20 0 CAADHN CN(C)[C@H]1CN(C(=O)c2cccc(C(N)=O)n2)C[C@@H]1O ZINC000573218826 373980204 /nfs/dbraw/zinc/98/02/04/373980204.db2.gz PXZDANXSWGMXRD-QWRGUYRKSA-N 0 3 278.312 -1.073 20 0 CAADHN C[C@H](NC1CC1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573267377 373980287 /nfs/dbraw/zinc/98/02/87/373980287.db2.gz GRCMTRMZFZVTSX-GDPRMGEGSA-N 0 3 266.345 -1.103 20 0 CAADHN NC(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000573121436 373980323 /nfs/dbraw/zinc/98/03/23/373980323.db2.gz BLDQOVFFPATILQ-SNVBAGLBSA-N 0 3 254.334 -1.385 20 0 CAADHN COCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573104603 373980500 /nfs/dbraw/zinc/98/05/00/373980500.db2.gz SAIFSZMMRDYPME-IUCAKERBSA-N 0 3 256.306 -1.414 20 0 CAADHN C[C@H](NC1CC1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573267378 373980805 /nfs/dbraw/zinc/98/08/05/373980805.db2.gz GRCMTRMZFZVTSX-INTQDDNPSA-N 0 3 266.345 -1.103 20 0 CAADHN COCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573104605 373980948 /nfs/dbraw/zinc/98/09/48/373980948.db2.gz SAIFSZMMRDYPME-RKDXNWHRSA-N 0 3 256.306 -1.414 20 0 CAADHN COC(=O)CCN(C)S(=O)(=O)NC[C@H]1CNCCO1 ZINC000573104116 373981107 /nfs/dbraw/zinc/98/11/07/373981107.db2.gz ALAIAQIYHYLEHJ-SECBINFHSA-N 0 3 295.361 -1.696 20 0 CAADHN CN(CCC(=O)N1CCOCC1)[C@@H]1COC[C@H]1O ZINC000573630955 373982353 /nfs/dbraw/zinc/98/23/53/373982353.db2.gz QIJHEYQNGYUEGZ-GHMZBOCLSA-N 0 3 258.318 -1.073 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@@H](N)CC(=O)OC)C1 ZINC000573680997 373982656 /nfs/dbraw/zinc/98/26/56/373982656.db2.gz MSIQSJCJYWVZGG-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN CN(CC1(O)CCCC1)C(=O)C(=O)NC1CNC1 ZINC000574060588 373983653 /nfs/dbraw/zinc/98/36/53/373983653.db2.gz KJBGMLJPJQIULY-UHFFFAOYSA-N 0 3 255.318 -1.162 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)NCCN(C)C ZINC000573826981 373984351 /nfs/dbraw/zinc/98/43/51/373984351.db2.gz YUKFHTAZWIZNQU-QMMMGPOBSA-N 0 3 269.309 -2.144 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000574055395 373984556 /nfs/dbraw/zinc/98/45/56/373984556.db2.gz WDEOQECZZODSAQ-GUBZILKMSA-N 0 3 297.359 -1.536 20 0 CAADHN C[C@@H](NC(=O)COc1cnn(C)c1)C(=O)NCCN(C)C ZINC000573979310 373984692 /nfs/dbraw/zinc/98/46/92/373984692.db2.gz HCPLGXJDSOQEEW-SNVBAGLBSA-N 0 3 297.359 -1.019 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000575401624 373986025 /nfs/dbraw/zinc/98/60/25/373986025.db2.gz BFQMJZUIIOTQHY-SECBINFHSA-N 0 3 290.327 -1.423 20 0 CAADHN CCOC[C@@H](O)CN[C@H](CO)CN1CCOCC1 ZINC000577870826 373986137 /nfs/dbraw/zinc/98/61/37/373986137.db2.gz SWUKTGXXEXCMHK-RYUDHWBXSA-N 0 3 262.350 -1.334 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1CNCCO1 ZINC000577841321 373986186 /nfs/dbraw/zinc/98/61/86/373986186.db2.gz IRNCYTYMNPYGJE-VIFPVBQESA-N 0 3 279.362 -1.628 20 0 CAADHN CCOC[C@@H](O)CN[C@@H](CO)CN1CCOCC1 ZINC000577870824 373986244 /nfs/dbraw/zinc/98/62/44/373986244.db2.gz SWUKTGXXEXCMHK-NEPJUHHUSA-N 0 3 262.350 -1.334 20 0 CAADHN CC(C)(C)CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000577867954 373986745 /nfs/dbraw/zinc/98/67/45/373986745.db2.gz JZVOKFYLDFGUAF-UWVGGRQHSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)NC2CNC2)C[C@H](C)O1 ZINC000577943089 373988625 /nfs/dbraw/zinc/98/86/25/373988625.db2.gz YDXNTKFQFOIMNV-PHIMTYICSA-N 0 3 298.387 -1.358 20 0 CAADHN CN(C)[C@H]1CN(C(=O)Cn2cccnc2=O)C[C@@H]1O ZINC000578024705 373989090 /nfs/dbraw/zinc/98/90/90/373989090.db2.gz CQHSJBSUVZVHMR-UWVGGRQHSA-N 0 3 266.301 -1.623 20 0 CAADHN C[N@H+](C[C@@H](O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)C1CC1 ZINC000577988387 373989415 /nfs/dbraw/zinc/98/94/15/373989415.db2.gz OFAQQXYHNSFGTD-MNOVXSKESA-N 0 3 282.344 -1.323 20 0 CAADHN C[N@@H+](C[C@@H](O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1)C1CC1 ZINC000577988387 373989420 /nfs/dbraw/zinc/98/94/20/373989420.db2.gz OFAQQXYHNSFGTD-MNOVXSKESA-N 0 3 282.344 -1.323 20 0 CAADHN O=C(CN1CCNCC1=O)N1CCN2CCC1CC2 ZINC000577951522 373989495 /nfs/dbraw/zinc/98/94/95/373989495.db2.gz XPTSYKNGYIDNTI-UHFFFAOYSA-N 0 3 266.345 -1.275 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)CN3CSCC3=O)CCN2C1=O ZINC000578248201 373991117 /nfs/dbraw/zinc/99/11/17/373991117.db2.gz YTIBSXBQYCDSGN-RKDXNWHRSA-N 0 3 298.368 -1.710 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@H]2CNCCO2)C1 ZINC000578236294 373991535 /nfs/dbraw/zinc/99/15/35/373991535.db2.gz IHSLJSIFFJUFQD-GHMZBOCLSA-N 0 3 257.334 -1.188 20 0 CAADHN CN(C)C[C@@H]1CCCN1C(=O)CN1CCNCC1=O ZINC000578130605 373991795 /nfs/dbraw/zinc/99/17/95/373991795.db2.gz SOGKIDISQGCAIB-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN COC(=O)[C@@H](O)CNC(=O)c1ccn(CCN(C)C)n1 ZINC000578246235 373991913 /nfs/dbraw/zinc/99/19/13/373991913.db2.gz LUDJJPRFEGEGOH-JTQLQIEISA-N 0 3 284.316 -1.292 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@@H]2CNCCO2)C1 ZINC000578236297 373991934 /nfs/dbraw/zinc/99/19/34/373991934.db2.gz IHSLJSIFFJUFQD-WDEREUQCSA-N 0 3 257.334 -1.188 20 0 CAADHN CN(C)C(=O)NCCNC(=O)CCOC1CNC1 ZINC000578530333 373993084 /nfs/dbraw/zinc/99/30/84/373993084.db2.gz XMQSHFYNXNUQPS-UHFFFAOYSA-N 0 3 258.322 -1.248 20 0 CAADHN CO[C@H](C)CS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578550346 373993329 /nfs/dbraw/zinc/99/33/29/373993329.db2.gz DEMMEMPVZWIVRW-BBBLOLIVSA-N 0 3 291.373 -1.405 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)NC2CNC2)C[C@H]1CO ZINC000621846871 374078502 /nfs/dbraw/zinc/07/85/02/374078502.db2.gz MZGZVDILCPNGNV-BDAKNGLRSA-N 0 3 255.318 -1.449 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C[C@@H]1CO ZINC000621847757 374078912 /nfs/dbraw/zinc/07/89/12/374078912.db2.gz KAQTUBATWMNNLM-UTUOFQBUSA-N 0 3 299.371 -1.432 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000621846600 374079403 /nfs/dbraw/zinc/07/94/03/374079403.db2.gz GBTILGRZZMZCNW-OPRDCNLKSA-N 0 3 257.334 -1.073 20 0 CAADHN C[C@H](O)CN(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000033899795 374024819 /nfs/dbraw/zinc/02/48/19/374024819.db2.gz IIABJEVJJIFUIS-VIFPVBQESA-N 0 3 295.343 -1.254 20 0 CAADHN C[C@@H](O)CN(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000033899797 374025456 /nfs/dbraw/zinc/02/54/56/374025456.db2.gz IIABJEVJJIFUIS-SECBINFHSA-N 0 3 295.343 -1.254 20 0 CAADHN Cn1cc(N2CCC[C@@H](Nc3nc(N)nc(N)n3)C2)cn1 ZINC000623995276 374080610 /nfs/dbraw/zinc/08/06/10/374080610.db2.gz SOIHTJLHHATKQW-MRVPVSSYSA-N 0 3 289.347 -1.067 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCC[C@H]1C(=O)NC ZINC000627343315 374080742 /nfs/dbraw/zinc/08/07/42/374080742.db2.gz DHUGCYGEATVVJH-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000066959695 374038153 /nfs/dbraw/zinc/03/81/53/374038153.db2.gz VPVXLJKQMUTRNM-UHFFFAOYSA-N 0 3 254.290 -1.396 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC000069641806 374039833 /nfs/dbraw/zinc/03/98/33/374039833.db2.gz KGGRYWATKIQJIG-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CCC(=O)N1CC[C@@H](NC(=O)C(=O)N(CC)CCN)C1 ZINC000627288462 374042272 /nfs/dbraw/zinc/04/22/72/374042272.db2.gz YFSLURMLQWJKDX-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CN1C(=O)CC[C@@H](NC[C@@H](O)Cn2cccn2)C1=O ZINC000090030509 374043555 /nfs/dbraw/zinc/04/35/55/374043555.db2.gz GFKGMQKDGJUYJI-NXEZZACHSA-N 0 3 266.301 -1.019 20 0 CAADHN COC(=O)C1CCN(S(=O)(=O)NC2CNC2)CC1 ZINC000090289342 374043874 /nfs/dbraw/zinc/04/38/74/374043874.db2.gz PXJIISMWSJAXKX-UHFFFAOYSA-N 0 3 277.346 -1.322 20 0 CAADHN CN1C(=O)CC[C@H](NC[C@H](O)CN2CCOCC2)C1=O ZINC000090029859 374043990 /nfs/dbraw/zinc/04/39/90/374043990.db2.gz ZRIOELWEGCYRCX-QWRGUYRKSA-N 0 3 285.344 -1.584 20 0 CAADHN CN(C)CC(C)(C)NC(=O)CNS(=O)(=O)N(C)C ZINC000616187944 374045970 /nfs/dbraw/zinc/04/59/70/374045970.db2.gz LNVUZNRHNLANPG-UHFFFAOYSA-N 0 3 280.394 -1.161 20 0 CAADHN CCNC(=O)CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618307837 374049547 /nfs/dbraw/zinc/04/95/47/374049547.db2.gz WEEQODXDWUTPFM-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618302098 374049555 /nfs/dbraw/zinc/04/95/55/374049555.db2.gz DTAQSKMOTSGCOD-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CCNC(=O)C1 ZINC000618307151 374049657 /nfs/dbraw/zinc/04/96/57/374049657.db2.gz YJVIPSMRABZTED-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC000618303456 374049921 /nfs/dbraw/zinc/04/99/21/374049921.db2.gz GCBWSCGWAFIHAL-LLVKDONJSA-N 0 3 298.387 -1.057 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CNC(=O)C1CC1 ZINC000618305456 374050164 /nfs/dbraw/zinc/05/01/64/374050164.db2.gz VJVBNXHUGXFIPV-UHFFFAOYSA-N 0 3 298.387 -1.009 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1COCCO1 ZINC000618304340 374050239 /nfs/dbraw/zinc/05/02/39/374050239.db2.gz WZSYTASBNMTYND-LLVKDONJSA-N 0 3 287.360 -1.120 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cn[nH]n1 ZINC000618305548 374050305 /nfs/dbraw/zinc/05/03/05/374050305.db2.gz YMWRQUCEVCVUAG-UHFFFAOYSA-N 0 3 268.321 -1.103 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000618303457 374050533 /nfs/dbraw/zinc/05/05/33/374050533.db2.gz GCBWSCGWAFIHAL-NSHDSACASA-N 0 3 298.387 -1.057 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC(=O)N2)CC1=O ZINC000619142044 374054762 /nfs/dbraw/zinc/05/47/62/374054762.db2.gz LBUMETBMHROUEL-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H](C)N(C)C1CC1 ZINC000057703253 374055885 /nfs/dbraw/zinc/05/58/85/374055885.db2.gz FIKAYTOQTFIYQM-SECBINFHSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@@H](O)CN(C)C1CC1 ZINC000405322281 374056007 /nfs/dbraw/zinc/05/60/07/374056007.db2.gz QEDRADOSZQOYDK-LLVKDONJSA-N 0 3 279.406 -1.078 20 0 CAADHN CC(C)(O)C(=O)NC1CCN(S(C)(=O)=O)C1 ZINC000400236462 374056479 /nfs/dbraw/zinc/05/64/79/374056479.db2.gz VDVIOMRCIRPBHJ-SSDOTTSWSA-N 0 3 250.320 -1.093 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@H](O)CN(C)C1CC1 ZINC000405322283 374056744 /nfs/dbraw/zinc/05/67/44/374056744.db2.gz QEDRADOSZQOYDK-NSHDSACASA-N 0 3 279.406 -1.078 20 0 CAADHN CCCN1CC[C@H](NC(=O)[C@H](CO)NC(N)=O)C1 ZINC000619898046 374059938 /nfs/dbraw/zinc/05/99/38/374059938.db2.gz PAHMILFDAGALNF-IUCAKERBSA-N 0 3 258.322 -1.384 20 0 CAADHN CCCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000619903987 374060316 /nfs/dbraw/zinc/06/03/16/374060316.db2.gz GAQDHGVXTDBWPN-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN CCCN1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000619904076 374060628 /nfs/dbraw/zinc/06/06/28/374060628.db2.gz JRLXTKJOCFTQRO-JTQLQIEISA-N 0 3 292.405 -1.017 20 0 CAADHN CCCN1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC000619895618 374060764 /nfs/dbraw/zinc/06/07/64/374060764.db2.gz VSXFYBUJUFNFNF-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN CC[C@@H]1CN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C[C@H](C)N1 ZINC000620898206 374063314 /nfs/dbraw/zinc/06/33/14/374063314.db2.gz RXDLMOMTJQDUFC-VECUTGAWSA-N 0 3 284.356 -1.002 20 0 CAADHN CC[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H](C)N1 ZINC000620897949 374064377 /nfs/dbraw/zinc/06/43/77/374064377.db2.gz HVBXAJWZOBMLRN-VHSXEESVSA-N 0 3 292.405 -1.019 20 0 CAADHN CC(C)[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CCN1 ZINC000621153379 374065826 /nfs/dbraw/zinc/06/58/26/374065826.db2.gz QUKWUGSAPYWDBE-SECBINFHSA-N 0 3 296.327 -1.137 20 0 CAADHN CC[C@@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H](C)N1 ZINC000620904849 374066206 /nfs/dbraw/zinc/06/62/06/374066206.db2.gz QKEUFZAOUVOIDJ-DTWKUNHWSA-N 0 3 280.332 -1.024 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)[C@H](CO)NC(N)=O)CCN1 ZINC000621156077 374066224 /nfs/dbraw/zinc/06/62/24/374066224.db2.gz SFCCBKYAOQMIAT-IUCAKERBSA-N 0 3 258.322 -1.528 20 0 CAADHN CC(C)[C@H]1CN(C(=O)[C@H](CO)NC(N)=O)CCN1 ZINC000621156075 374066470 /nfs/dbraw/zinc/06/64/70/374066470.db2.gz SFCCBKYAOQMIAT-BDAKNGLRSA-N 0 3 258.322 -1.528 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CCN1 ZINC000621153380 374066694 /nfs/dbraw/zinc/06/66/94/374066694.db2.gz QUKWUGSAPYWDBE-VIFPVBQESA-N 0 3 296.327 -1.137 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCN[C@H](C(C)C)C1 ZINC000621154303 374066777 /nfs/dbraw/zinc/06/67/77/374066777.db2.gz JPNQVEYCGJXQDQ-VIFPVBQESA-N 0 3 263.363 -1.008 20 0 CAADHN CN(CCNC(=O)C(=O)NC[C@@H]1COCCN1)C1CC1 ZINC000627319545 374070791 /nfs/dbraw/zinc/07/07/91/374070791.db2.gz XGOJBGLBNVIXBI-SNVBAGLBSA-N 0 3 284.360 -1.699 20 0 CAADHN CNCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000621521392 374074417 /nfs/dbraw/zinc/07/44/17/374074417.db2.gz FBKBBPSXNQYTEG-UHFFFAOYSA-N 0 3 278.378 -2.101 20 0 CAADHN C[C@H](N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000621521458 374074520 /nfs/dbraw/zinc/07/45/20/374074520.db2.gz SQHRJFIJJTVEHL-VIFPVBQESA-N 0 3 278.378 -1.973 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000627320220 374075195 /nfs/dbraw/zinc/07/51/95/374075195.db2.gz WBKLMBDKHZXCIZ-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@@H]1CN(c2nc(N)nc(N)n2)[C@@H](C)CN1CCO ZINC000624286465 374110303 /nfs/dbraw/zinc/11/03/03/374110303.db2.gz YNGTVBZPJHUQAE-SFYZADRCSA-N 0 3 267.337 -1.412 20 0 CAADHN CN(C)C(=O)N[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000624264704 374110489 /nfs/dbraw/zinc/11/04/89/374110489.db2.gz FARMAYYKLYRWNN-ZETCQYMHSA-N 0 3 280.336 -1.063 20 0 CAADHN CN(C)C(=O)N[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000624264703 374110593 /nfs/dbraw/zinc/11/05/93/374110593.db2.gz FARMAYYKLYRWNN-SSDOTTSWSA-N 0 3 280.336 -1.063 20 0 CAADHN Nc1nc(N)nc(NC[C@H](CO)Cc2cccnc2)n1 ZINC000624268935 374111025 /nfs/dbraw/zinc/11/10/25/374111025.db2.gz OVDWKINAZOQIIW-SECBINFHSA-N 0 3 275.316 -1.223 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2CCN(CC(F)F)C2)n1 ZINC000624286970 374111048 /nfs/dbraw/zinc/11/10/48/374111048.db2.gz NBGRTSQXHKNHFW-RXMQYKEDSA-N 0 3 259.264 -1.130 20 0 CAADHN NC(=O)[C@H]1CC[C@H](CNc2nc(N)nc(N)n2)CC1 ZINC000624287604 374111155 /nfs/dbraw/zinc/11/11/55/374111155.db2.gz JNSWPYTYERMEGE-LJGSYFOKSA-N 0 3 265.321 -1.178 20 0 CAADHN CC(C)(CNc1nc(N)nc(N)n1)[C@@]1(O)CCOC1 ZINC000624330865 374111874 /nfs/dbraw/zinc/11/18/74/374111874.db2.gz HSYWPUGZPUHPHQ-LLVKDONJSA-N 0 3 268.321 -1.292 20 0 CAADHN CC(C)(C)N1CC[C@H](Nc2nc(N)nc(N)n2)C1=O ZINC000624326343 374111904 /nfs/dbraw/zinc/11/19/04/374111904.db2.gz JVCVDBYWGAUJCJ-LURJTMIESA-N 0 3 265.321 -1.070 20 0 CAADHN Nc1nc(N)nc(NC[C@@H](CO)Cc2cccnc2)n1 ZINC000624268936 374112010 /nfs/dbraw/zinc/11/20/10/374112010.db2.gz OVDWKINAZOQIIW-VIFPVBQESA-N 0 3 275.316 -1.223 20 0 CAADHN CC(C)(CCNc1nc(N)nc(N)n1)S(C)(=O)=O ZINC000624277949 374112143 /nfs/dbraw/zinc/11/21/43/374112143.db2.gz QOPRRNMGNWQPPS-UHFFFAOYSA-N 0 3 274.350 -1.256 20 0 CAADHN CCCN1C[C@@H](CNc2nc(N)nc(N)n2)CC1=O ZINC000624287910 374112323 /nfs/dbraw/zinc/11/23/23/374112323.db2.gz XBJPCXJJPMRRGK-SSDOTTSWSA-N 0 3 265.321 -1.211 20 0 CAADHN C[C@@H]1CC[C@@H](Nc2nc(N)nc(N)n2)CS1(=O)=O ZINC000624397364 374113181 /nfs/dbraw/zinc/11/31/81/374113181.db2.gz YIRBUXFSTFQZSV-PHDIDXHHSA-N 0 3 272.334 -1.504 20 0 CAADHN CCOC[C@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC000624602658 374113335 /nfs/dbraw/zinc/11/33/35/374113335.db2.gz BMDZHVXWZYGBNQ-SSDOTTSWSA-N 0 3 254.294 -1.062 20 0 CAADHN C[C@@H]1CN(c2nc(N)nc(N)n2)CCN1S(C)(=O)=O ZINC000624399372 374113515 /nfs/dbraw/zinc/11/35/15/374113515.db2.gz LVOBJJXTEUIGOZ-ZCFIWIBFSA-N 0 3 287.349 -1.833 20 0 CAADHN C[C@@H]1CC[C@H](Nc2nc(N)nc(N)n2)CS1(=O)=O ZINC000624397365 374113557 /nfs/dbraw/zinc/11/35/57/374113557.db2.gz YIRBUXFSTFQZSV-RITPCOANSA-N 0 3 272.334 -1.504 20 0 CAADHN CS(=O)(=O)NC1CN(c2nc(N)nc(N)n2)C1 ZINC000624547455 374113680 /nfs/dbraw/zinc/11/36/80/374113680.db2.gz IDHVEMZKWWADRZ-UHFFFAOYSA-N 0 3 259.295 -2.565 20 0 CAADHN Cc1ncc(S(=O)(=O)NC[C@H]2CNCCO2)n1C ZINC000624370485 374113768 /nfs/dbraw/zinc/11/37/68/374113768.db2.gz LUBVQCIPJYLTBA-SECBINFHSA-N 0 3 274.346 -1.005 20 0 CAADHN CO[C@@]1(CO)CCCN(c2nc(N)nc(N)n2)C1 ZINC000624393105 374113925 /nfs/dbraw/zinc/11/39/25/374113925.db2.gz LCNKONDMJCRNDL-JTQLQIEISA-N 0 3 254.294 -1.326 20 0 CAADHN NC(=O)[C@@H]1CCCN1CCCNc1nc(N)nc(N)n1 ZINC000624510911 374113970 /nfs/dbraw/zinc/11/39/70/374113970.db2.gz IDDBKXGUYUMEAP-ZETCQYMHSA-N 0 3 280.336 -2.130 20 0 CAADHN CO[C@@H](CNc1nc(N)nc(N)n1)[C@H]1CCOC1 ZINC000624384909 374114143 /nfs/dbraw/zinc/11/41/43/374114143.db2.gz JXEITUDQVPPLNP-BQBZGAKWSA-N 0 3 254.294 -1.418 20 0 CAADHN NCCNC(=O)C(=O)NC[C@H]1CCCN1CC(F)F ZINC000627399142 374118720 /nfs/dbraw/zinc/11/87/20/374118720.db2.gz GZLFHMARTQVPON-MRVPVSSYSA-N 0 3 278.303 -1.093 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000627386119 374119225 /nfs/dbraw/zinc/11/92/25/374119225.db2.gz GNUXWYMUXDGHJG-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C(=O)N[C@H](CN)C1CC1 ZINC000627412138 374120261 /nfs/dbraw/zinc/12/02/61/374120261.db2.gz DICDOXRLLFEKBK-GHMZBOCLSA-N 0 3 284.360 -1.713 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCO[C@@H](CCF)C1 ZINC000627407549 374120376 /nfs/dbraw/zinc/12/03/76/374120376.db2.gz WSRNWPFWYIBJGM-VIFPVBQESA-N 0 3 259.281 -1.339 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C(=O)NC1CNC1 ZINC000627407551 374120503 /nfs/dbraw/zinc/12/05/03/374120503.db2.gz XFQUZZRLLIDBSJ-SECBINFHSA-N 0 3 256.306 -2.479 20 0 CAADHN CC(C)(CNC(=O)C(=O)NC1CNC1)C(=O)N1CCCC1 ZINC000627407494 374120556 /nfs/dbraw/zinc/12/05/56/374120556.db2.gz UVKZGALMLOYKBK-UHFFFAOYSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)C[C@H]1CN(C(=O)C(=O)NC2CNC2)CCO1 ZINC000627407574 374120735 /nfs/dbraw/zinc/12/07/35/374120735.db2.gz YJJVBXRDQVVPTN-QMMMGPOBSA-N 0 3 270.289 -2.823 20 0 CAADHN O=C(NC[C@@H]1CCCN1CC(F)F)C(=O)NC1CNC1 ZINC000627407554 374120817 /nfs/dbraw/zinc/12/08/17/374120817.db2.gz XGDYAKLWCDFMLH-VIFPVBQESA-N 0 3 290.314 -1.080 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCO[C@H](CCF)C1 ZINC000627407548 374120858 /nfs/dbraw/zinc/12/08/58/374120858.db2.gz WSRNWPFWYIBJGM-SECBINFHSA-N 0 3 259.281 -1.339 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000627421652 374122126 /nfs/dbraw/zinc/12/21/26/374122126.db2.gz PNBOEHAMCQRECO-WOPDTQHZSA-N 0 3 297.355 -1.225 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000627425697 374122394 /nfs/dbraw/zinc/12/23/94/374122394.db2.gz XIMKTLWELJSFPB-UHFFFAOYSA-N 0 3 297.363 -1.149 20 0 CAADHN COC[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000627420845 374122752 /nfs/dbraw/zinc/12/27/52/374122752.db2.gz UKIUWNTVLMPFLX-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627429055 374123031 /nfs/dbraw/zinc/12/30/31/374123031.db2.gz WPJLMATUZPPYJX-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000627468090 374126090 /nfs/dbraw/zinc/12/60/90/374126090.db2.gz KGCPVTKYKKYWRS-IQLKVPPVSA-N 0 3 296.371 -1.617 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)NC[C@@H]1COCCN1C ZINC000627468054 374126286 /nfs/dbraw/zinc/12/62/86/374126286.db2.gz JCAGSPWBOUAANT-VHSXEESVSA-N 0 3 272.349 -1.761 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000627468360 374126401 /nfs/dbraw/zinc/12/64/01/374126401.db2.gz QSRKBLHIGJLMOW-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)NC[C@@H]1COCCN1C ZINC000627468052 374126834 /nfs/dbraw/zinc/12/68/34/374126834.db2.gz JCAGSPWBOUAANT-NXEZZACHSA-N 0 3 272.349 -1.761 20 0 CAADHN CCN1CCCN(C(=O)C(=O)NC[C@@H]2COCCN2)CC1 ZINC000627469881 374127753 /nfs/dbraw/zinc/12/77/53/374127753.db2.gz HFCBGYAJZRBMAO-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1CN ZINC000627468574 374127987 /nfs/dbraw/zinc/12/79/87/374127987.db2.gz YVKOIFJSTWRLHJ-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627470310 374128565 /nfs/dbraw/zinc/12/85/65/374128565.db2.gz ORHHKUKIGNBGPD-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CCN1CCCN(C(=O)C(=O)NC[C@H]2COCCN2)CC1 ZINC000627469882 374129178 /nfs/dbraw/zinc/12/91/78/374129178.db2.gz HFCBGYAJZRBMAO-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627475869 374130532 /nfs/dbraw/zinc/13/05/32/374130532.db2.gz WEWOCFCIFRHICD-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627473630 374130608 /nfs/dbraw/zinc/13/06/08/374130608.db2.gz RPMJDRJTVWQKFL-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627473586 374131174 /nfs/dbraw/zinc/13/11/74/374131174.db2.gz QXEQZROPPXGVEG-SNVBAGLBSA-N 0 3 272.349 -1.889 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627473585 374131390 /nfs/dbraw/zinc/13/13/90/374131390.db2.gz QXEQZROPPXGVEG-JTQLQIEISA-N 0 3 272.349 -1.889 20 0 CAADHN CC[C@H](C(=O)NCCOCCS(N)(=O)=O)N(C)C ZINC000622050641 374085479 /nfs/dbraw/zinc/08/54/79/374085479.db2.gz WQTPYRDBEJJQJO-SECBINFHSA-N 0 3 281.378 -1.252 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCN(C)CCOC ZINC000627352795 374085733 /nfs/dbraw/zinc/08/57/33/374085733.db2.gz IXQWMGLTHQKOKK-UHFFFAOYSA-N 0 3 274.365 -1.512 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H]1CCCCN1CCO ZINC000622629797 374089418 /nfs/dbraw/zinc/08/94/18/374089418.db2.gz BPYAAZSWTYGHQK-SNVBAGLBSA-N 0 3 268.321 -1.364 20 0 CAADHN CC(C)[C@@H](CNc1nc(N)nc(N)n1)N1CCN(C)CC1 ZINC000623833332 374090665 /nfs/dbraw/zinc/09/06/65/374090665.db2.gz YPGVHKRWRYZSGG-SNVBAGLBSA-N 0 3 294.407 -1.197 20 0 CAADHN COCCN1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623823353 374090798 /nfs/dbraw/zinc/09/07/98/374090798.db2.gz YJBBLLCNHNMCBJ-UHFFFAOYSA-N 0 3 253.310 -1.535 20 0 CAADHN Nc1nc(N)nc(NC[C@@H](O)COc2ccccc2)n1 ZINC000623853245 374091110 /nfs/dbraw/zinc/09/11/10/374091110.db2.gz RLGPZIZSKXINAR-MRVPVSSYSA-N 0 3 276.300 -1.030 20 0 CAADHN CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627475905 374132916 /nfs/dbraw/zinc/13/29/16/374132916.db2.gz WQRHIAAEBHZEMS-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN COCCCNC(=O)CN(C)c1nc(N)nc(N)n1 ZINC000623827967 374091495 /nfs/dbraw/zinc/09/14/95/374091495.db2.gz DKPJFDTXKRDPQA-UHFFFAOYSA-N 0 3 269.309 -1.714 20 0 CAADHN CC(C)[C@H](CNc1nc(N)nc(N)n1)N1CCN(C)CC1 ZINC000623833331 374091628 /nfs/dbraw/zinc/09/16/28/374091628.db2.gz YPGVHKRWRYZSGG-JTQLQIEISA-N 0 3 294.407 -1.197 20 0 CAADHN CN(CC(=O)N1CCCC1)c1nc(N)nc(N)n1 ZINC000623818934 374091976 /nfs/dbraw/zinc/09/19/76/374091976.db2.gz JIPCGXGIWZHIJD-UHFFFAOYSA-N 0 3 251.294 -1.245 20 0 CAADHN Nc1nc(N)nc(NC[C@@H](CO)Cc2ccco2)n1 ZINC000623833700 374092593 /nfs/dbraw/zinc/09/25/93/374092593.db2.gz UKUDFBHHRHECIJ-ZETCQYMHSA-N 0 3 264.289 -1.025 20 0 CAADHN C[C@H]1CN(CCNc2nc(N)nc(N)n2)CCO1 ZINC000623924796 374093779 /nfs/dbraw/zinc/09/37/79/374093779.db2.gz MWBSSVZFOBVBNL-ZETCQYMHSA-N 0 3 253.310 -1.749 20 0 CAADHN Nc1nc(N)nc(NCC(=O)N2CCCCC2)n1 ZINC000623857498 374094044 /nfs/dbraw/zinc/09/40/44/374094044.db2.gz OOMGUGJGOSRLEH-UHFFFAOYSA-N 0 3 251.294 -1.457 20 0 CAADHN C[C@@H]1COCCN1CCNc1nc(N)nc(N)n1 ZINC000623939025 374094119 /nfs/dbraw/zinc/09/41/19/374094119.db2.gz AWFPZHKMKKFJDR-SSDOTTSWSA-N 0 3 253.310 -1.749 20 0 CAADHN Cc1nc2n(n1)C[C@H](Nc1nc(N)nc(N)n1)CC2 ZINC000623931744 374094437 /nfs/dbraw/zinc/09/44/37/374094437.db2.gz HTZHGMBCNHILAR-ZCFIWIBFSA-N 0 3 261.293 -1.555 20 0 CAADHN C[C@@H](CN1CCOCC1)Nc1nc(N)nc(N)n1 ZINC000623860828 374094579 /nfs/dbraw/zinc/09/45/79/374094579.db2.gz GNIWSHNOUMRUCA-ZETCQYMHSA-N 0 3 253.310 -1.749 20 0 CAADHN CN(C)CCn1cc(Nc2nc(N)nc(N)n2)cn1 ZINC000623909250 374094796 /nfs/dbraw/zinc/09/47/96/374094796.db2.gz MZQLJOVLOIELQT-UHFFFAOYSA-N 0 3 263.309 -1.380 20 0 CAADHN C[C@H]1CC[C@@H](C(N)=O)CN1c1nc(N)nc(N)n1 ZINC000623871566 374094941 /nfs/dbraw/zinc/09/49/41/374094941.db2.gz HVQYDWYYQXQODU-NTSWFWBYSA-N 0 3 251.294 -1.213 20 0 CAADHN CC(C)COC[C@H](O)CNc1nc(N)nc(N)n1 ZINC000623869130 374095048 /nfs/dbraw/zinc/09/50/48/374095048.db2.gz PKDBFYYWAKKYSQ-SSDOTTSWSA-N 0 3 256.310 -1.436 20 0 CAADHN Nc1nc(N)nc(NCCCC(=O)NC2CC2)n1 ZINC000623862598 374095555 /nfs/dbraw/zinc/09/55/55/374095555.db2.gz YYZPFKTUCKYKBZ-UHFFFAOYSA-N 0 3 251.294 -1.411 20 0 CAADHN CC(C)COC[C@@H](O)CNc1nc(N)nc(N)n1 ZINC000623869131 374095626 /nfs/dbraw/zinc/09/56/26/374095626.db2.gz PKDBFYYWAKKYSQ-ZETCQYMHSA-N 0 3 256.310 -1.436 20 0 CAADHN Cc1nc2n(n1)C[C@@H](Nc1nc(N)nc(N)n1)CC2 ZINC000623931743 374095904 /nfs/dbraw/zinc/09/59/04/374095904.db2.gz HTZHGMBCNHILAR-LURJTMIESA-N 0 3 261.293 -1.555 20 0 CAADHN CC(C)NS(=O)(=O)CCNc1nc(N)nc(N)n1 ZINC000623908526 374096017 /nfs/dbraw/zinc/09/60/17/374096017.db2.gz FNNBDHRNFALWGO-UHFFFAOYSA-N 0 3 275.338 -2.142 20 0 CAADHN CC[C@@H](C)NC(=O)[C@@H](C)Nc1nc(N)nc(N)n1 ZINC000623902195 374096105 /nfs/dbraw/zinc/09/61/05/374096105.db2.gz CZGNNTUFMOWJQQ-PHDIDXHHSA-N 0 3 253.310 -1.166 20 0 CAADHN C[C@H](O)CN1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623936136 374096134 /nfs/dbraw/zinc/09/61/34/374096134.db2.gz FIRLIODCTBAUIP-ZETCQYMHSA-N 0 3 253.310 -1.800 20 0 CAADHN C[C@@H](Nc1nc(N)nc(N)n1)C(=O)NC(C)(C)C ZINC000623896673 374096171 /nfs/dbraw/zinc/09/61/71/374096171.db2.gz YFARRCDTEQBCNO-RXMQYKEDSA-N 0 3 253.310 -1.166 20 0 CAADHN CC(C)(O)CN1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623929616 374096247 /nfs/dbraw/zinc/09/62/47/374096247.db2.gz LEXVXSPXFFIXSQ-UHFFFAOYSA-N 0 3 267.337 -1.410 20 0 CAADHN CC[C@@H](C)NC(=O)[C@H](C)Nc1nc(N)nc(N)n1 ZINC000623902196 374096358 /nfs/dbraw/zinc/09/63/58/374096358.db2.gz CZGNNTUFMOWJQQ-RITPCOANSA-N 0 3 253.310 -1.166 20 0 CAADHN Nc1nc(N)nc(NCCN2CCSCC2)n1 ZINC000623966472 374097527 /nfs/dbraw/zinc/09/75/27/374097527.db2.gz SITGRXXENRROJR-UHFFFAOYSA-N 0 3 255.351 -1.421 20 0 CAADHN NC(=O)[C@H]1CCC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623985151 374097717 /nfs/dbraw/zinc/09/77/17/374097717.db2.gz GEPBWBGDJOUPCJ-WDSKDSINSA-N 0 3 251.294 -1.425 20 0 CAADHN CC(C)(CNc1nc(N)nc(N)n1)NS(C)(=O)=O ZINC000623959626 374098031 /nfs/dbraw/zinc/09/80/31/374098031.db2.gz WJVZWBYKQATHMV-UHFFFAOYSA-N 0 3 275.338 -2.142 20 0 CAADHN CN1CCC[C@H](N2CCN(c3nc(N)nc(N)n3)CC2)C1 ZINC000623974952 374098077 /nfs/dbraw/zinc/09/80/77/374098077.db2.gz VASXLQFGAALJSD-JTQLQIEISA-N 0 3 292.391 -1.087 20 0 CAADHN Nc1nc(N)nc(NCCCN2CCCCC2=O)n1 ZINC000623953045 374098583 /nfs/dbraw/zinc/09/85/83/374098583.db2.gz OCYFHQXBRLAGQG-UHFFFAOYSA-N 0 3 265.321 -1.067 20 0 CAADHN Nc1nc(N)nc(NCC[C@H](O)C(F)(F)F)n1 ZINC000623963459 374098620 /nfs/dbraw/zinc/09/86/20/374098620.db2.gz IDNIAZRAMMZMNE-VKHMYHEASA-N 0 3 252.200 -1.156 20 0 CAADHN CCOCCN1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623945382 374098858 /nfs/dbraw/zinc/09/88/58/374098858.db2.gz LFTZNUTZAYIQNZ-UHFFFAOYSA-N 0 3 267.337 -1.145 20 0 CAADHN Nc1nc(N)nc(NCCOC[C@H]2CCOC2)n1 ZINC000623959691 374099116 /nfs/dbraw/zinc/09/91/16/374099116.db2.gz YFQMGYQJLHRMDS-ZETCQYMHSA-N 0 3 254.294 -1.416 20 0 CAADHN CCS(=O)(=O)C[C@@H](C)Nc1nc(N)nc(N)n1 ZINC000623971483 374099133 /nfs/dbraw/zinc/09/91/33/374099133.db2.gz XXGWKBLQVHCQIE-RXMQYKEDSA-N 0 3 260.323 -1.646 20 0 CAADHN Nc1nc(N)nc(NCCOC[C@@H]2CCOC2)n1 ZINC000623959690 374099256 /nfs/dbraw/zinc/09/92/56/374099256.db2.gz YFQMGYQJLHRMDS-SSDOTTSWSA-N 0 3 254.294 -1.416 20 0 CAADHN NC(=O)[C@H]1CCC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000623985148 374099282 /nfs/dbraw/zinc/09/92/82/374099282.db2.gz GEPBWBGDJOUPCJ-NTSWFWBYSA-N 0 3 251.294 -1.425 20 0 CAADHN CNS(=O)(=O)[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623970613 374099328 /nfs/dbraw/zinc/09/93/28/374099328.db2.gz VXEJUUQMZVXVBH-LURJTMIESA-N 0 3 287.349 -1.785 20 0 CAADHN CC(C)N1CC[C@@H](Nc2nc(N)nc(N)n2)C1=O ZINC000623972907 374099356 /nfs/dbraw/zinc/09/93/56/374099356.db2.gz AWOHGDRGUSSOHZ-ZCFIWIBFSA-N 0 3 251.294 -1.460 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2CCCS(=O)(=O)C2)n1 ZINC000623980397 374099593 /nfs/dbraw/zinc/09/95/93/374099593.db2.gz FSSBMYAWONKTGY-RXMQYKEDSA-N 0 3 258.307 -1.892 20 0 CAADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2COCCN2)C1 ZINC000627475908 374133326 /nfs/dbraw/zinc/13/33/26/374133326.db2.gz WQRHIAAEBHZEMS-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN COCCC(=O)N1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000624047529 374100965 /nfs/dbraw/zinc/10/09/65/374100965.db2.gz GIBAYKAOQHBVGX-UHFFFAOYSA-N 0 3 295.347 -1.442 20 0 CAADHN Nc1nc(N)nc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1 ZINC000624033572 374101381 /nfs/dbraw/zinc/10/13/81/374101381.db2.gz LQJUCHUOQBQBOC-RNFRBKRXSA-N 0 3 263.305 -1.056 20 0 CAADHN C[C@@H]1C[C@@H]1N1C[C@@H](Nc2nc(N)nc(N)n2)CC1=O ZINC000624005370 374101468 /nfs/dbraw/zinc/10/14/68/374101468.db2.gz PADVRABNWDJDCT-VQVTYTSYSA-N 0 3 263.305 -1.460 20 0 CAADHN Nc1nc(N)nc(N2CC[C@@H](CN3CCOCC3)C2)n1 ZINC000623997183 374101520 /nfs/dbraw/zinc/10/15/20/374101520.db2.gz DQLYSTZYJICICV-VIFPVBQESA-N 0 3 279.348 -1.145 20 0 CAADHN CC(C)N1C(=O)C[C@H](Nc2nc(N)nc(N)n2)C1=O ZINC000624018748 374101660 /nfs/dbraw/zinc/10/16/60/374101660.db2.gz XRYYVVJYPBIBQG-YFKPBYRVSA-N 0 3 265.277 -1.934 20 0 CAADHN Nc1nc(N)nc(NC[C@@H]2CCCS2(=O)=O)n1 ZINC000624043291 374101804 /nfs/dbraw/zinc/10/18/04/374101804.db2.gz UJLRBYQLGKFESM-YFKPBYRVSA-N 0 3 258.307 -1.892 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN1c1nc(N)nc(N)n1 ZINC000624024574 374101843 /nfs/dbraw/zinc/10/18/43/374101843.db2.gz PGCLFQZFOJZRMO-ZCFIWIBFSA-N 0 3 287.349 -1.785 20 0 CAADHN Cn1cc(N2CCN(c3nc(N)nc(N)n3)CC2)cn1 ZINC000624012092 374102523 /nfs/dbraw/zinc/10/25/23/374102523.db2.gz RMMOFCZVTGLBBJ-UHFFFAOYSA-N 0 3 275.320 -1.243 20 0 CAADHN C[C@H](CCS(C)(=O)=O)Nc1nc(N)nc(N)n1 ZINC000624038600 374103057 /nfs/dbraw/zinc/10/30/57/374103057.db2.gz NYVTVYBOBXTHEM-RXMQYKEDSA-N 0 3 260.323 -1.646 20 0 CAADHN CCC(=O)N1CC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000624038480 374103195 /nfs/dbraw/zinc/10/31/95/374103195.db2.gz JMTSQLIOUGDPEN-ZCFIWIBFSA-N 0 3 251.294 -1.459 20 0 CAADHN CCO[C@H]1COCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624101001 374104009 /nfs/dbraw/zinc/10/40/09/374104009.db2.gz DJXQLYDYIYIQMH-BQBZGAKWSA-N 0 3 254.294 -1.275 20 0 CAADHN CNC(=O)[C@H]1CCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624075559 374104114 /nfs/dbraw/zinc/10/41/14/374104114.db2.gz LHPQOBAKCHSGRW-NTSWFWBYSA-N 0 3 251.294 -1.555 20 0 CAADHN C[C@H]1CN(c2nc(N)nc(N)n2)CCN1S(C)(=O)=O ZINC000624086572 374104176 /nfs/dbraw/zinc/10/41/76/374104176.db2.gz LVOBJJXTEUIGOZ-LURJTMIESA-N 0 3 287.349 -1.833 20 0 CAADHN Cc1nnc(CN2CCN(c3nc(N)nc(N)n3)CC2)[nH]1 ZINC000624084666 374104208 /nfs/dbraw/zinc/10/42/08/374104208.db2.gz FUQORSCUDMOVSJ-UHFFFAOYSA-N 0 3 290.335 -1.555 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H]1CNc1nc(N)nc(N)n1 ZINC000624061213 374104245 /nfs/dbraw/zinc/10/42/45/374104245.db2.gz XJZSGSROZIQGNJ-ZCFIWIBFSA-N 0 3 287.349 -2.045 20 0 CAADHN C[C@H](O)C[C@@H]1COCCN1c1nc(N)nc(N)n1 ZINC000624105922 374104285 /nfs/dbraw/zinc/10/42/85/374104285.db2.gz HQAQUYOJHARZMH-NKWVEPMBSA-N 0 3 254.294 -1.327 20 0 CAADHN Nc1nc(N)nc(NC2CCN([C@@H]3CCOC3)CC2)n1 ZINC000624051192 374104379 /nfs/dbraw/zinc/10/43/79/374104379.db2.gz VIEOMOLLEQZPFV-SECBINFHSA-N 0 3 279.348 -1.216 20 0 CAADHN COCCN1CCN(c2nc(N)nc(N)n2)CC1=O ZINC000624078494 374104472 /nfs/dbraw/zinc/10/44/72/374104472.db2.gz JZGBLTYJKRHNMI-UHFFFAOYSA-N 0 3 267.293 -2.008 20 0 CAADHN NC(=O)[C@H]1CCCCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624053278 374104639 /nfs/dbraw/zinc/10/46/39/374104639.db2.gz BJBVJJPRJCPRFE-NKWVEPMBSA-N 0 3 265.321 -1.035 20 0 CAADHN CCNS(=O)(=O)[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624080908 374104802 /nfs/dbraw/zinc/10/48/02/374104802.db2.gz AUCKMNXNCFPREU-LURJTMIESA-N 0 3 287.349 -1.785 20 0 CAADHN Nc1nc(N)nc(NC[C@@H]2CN3CCN2CC3)n1 ZINC000624056959 374105179 /nfs/dbraw/zinc/10/51/79/374105179.db2.gz UVTSOFIDLFGVPX-SSDOTTSWSA-N 0 3 250.310 -2.470 20 0 CAADHN Nc1nc(N)nc(NC[C@H]2CCCCS2(=O)=O)n1 ZINC000624097528 374105602 /nfs/dbraw/zinc/10/56/02/374105602.db2.gz YBMRXRFTMSYTHQ-ZCFIWIBFSA-N 0 3 272.334 -1.502 20 0 CAADHN CNC(=O)[C@H]1CCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624075562 374105696 /nfs/dbraw/zinc/10/56/96/374105696.db2.gz LHPQOBAKCHSGRW-WDSKDSINSA-N 0 3 251.294 -1.555 20 0 CAADHN C[C@@H](O)C[C@H]1COCCN1c1nc(N)nc(N)n1 ZINC000624105924 374105837 /nfs/dbraw/zinc/10/58/37/374105837.db2.gz HQAQUYOJHARZMH-RQJHMYQMSA-N 0 3 254.294 -1.327 20 0 CAADHN CCC[C@H]1C(=O)NCCN1c1nc(N)nc(N)n1 ZINC000624075472 374106090 /nfs/dbraw/zinc/10/60/90/374106090.db2.gz GBXGVGTYSPDMOD-LURJTMIESA-N 0 3 251.294 -1.198 20 0 CAADHN Nc1nc(N)nc(NC2CCN([C@H]3CCOC3)CC2)n1 ZINC000624051193 374106176 /nfs/dbraw/zinc/10/61/76/374106176.db2.gz VIEOMOLLEQZPFV-VIFPVBQESA-N 0 3 279.348 -1.216 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2CCCN(CCO)C2=O)n1 ZINC000624108384 374106259 /nfs/dbraw/zinc/10/62/59/374106259.db2.gz SOOLULQCFLEBRT-ZCFIWIBFSA-N 0 3 267.293 -2.486 20 0 CAADHN Nc1nc(CCNc2nc(N)nc(N)n2)cs1 ZINC000624208868 374107078 /nfs/dbraw/zinc/10/70/78/374107078.db2.gz DCAJHVPJRRJKFC-UHFFFAOYSA-N 0 3 252.307 -1.358 20 0 CAADHN CN(C)S(=O)(=O)CCNc1nc(N)nc(N)n1 ZINC000624234405 374107181 /nfs/dbraw/zinc/10/71/81/374107181.db2.gz WZVCLTVCYOWIGT-UHFFFAOYSA-N 0 3 261.311 -2.578 20 0 CAADHN Nc1nc(N)nc(N[C@H](CO)CN2CCCCC2)n1 ZINC000624209610 374107336 /nfs/dbraw/zinc/10/73/36/374107336.db2.gz MFXLAZNPCGGWPP-QMMMGPOBSA-N 0 3 267.337 -1.623 20 0 CAADHN Nc1nc(N)nc(NCCC2(O)CCOCC2)n1 ZINC000624210709 374107727 /nfs/dbraw/zinc/10/77/27/374107727.db2.gz VGFOAOPMCNJZDK-UHFFFAOYSA-N 0 3 254.294 -1.538 20 0 CAADHN C[C@@H](Nc1nc(N)nc(N)n1)C1(S(C)(=O)=O)CC1 ZINC000624213599 374108158 /nfs/dbraw/zinc/10/81/58/374108158.db2.gz QEUBHSRCWGIHHD-RXMQYKEDSA-N 0 3 272.334 -1.504 20 0 CAADHN C[C@H]1CN(c2nc(N)nc(N)n2)C[C@H](C)S1(=O)=O ZINC000624234044 374108640 /nfs/dbraw/zinc/10/86/40/374108640.db2.gz PHOVNMHYEDJZFW-WDSKDSINSA-N 0 3 272.334 -1.291 20 0 CAADHN Cn1c(=O)cc(N2CCN3CC[C@H]2C3)n(C)c1=O ZINC000624249177 374108707 /nfs/dbraw/zinc/10/87/07/374108707.db2.gz XFLAFTBTEGZROV-VIFPVBQESA-N 0 3 250.302 -1.022 20 0 CAADHN CCNC(=O)[C@@H](Nc1nc(N)nc(N)n1)C(C)C ZINC000624243961 374109082 /nfs/dbraw/zinc/10/90/82/374109082.db2.gz HKAUIJNXJIFSCM-LURJTMIESA-N 0 3 253.310 -1.309 20 0 CAADHN COCCN(C)CCNC(=O)N1CCNC(=O)C1 ZINC000171210795 374148780 /nfs/dbraw/zinc/14/87/80/374148780.db2.gz SXCNGGBYXJVZRX-UHFFFAOYSA-N 0 3 258.322 -1.294 20 0 CAADHN CN(C)C(=O)CCN1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000631807694 374149604 /nfs/dbraw/zinc/14/96/04/374149604.db2.gz NIKSSWGBBHFXIL-UHFFFAOYSA-N 0 3 294.359 -1.030 20 0 CAADHN CNCCNS(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000631903700 374151044 /nfs/dbraw/zinc/15/10/44/374151044.db2.gz RMRWKVSNWPWWQN-VIFPVBQESA-N 0 3 261.347 -1.112 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000631850020 374151165 /nfs/dbraw/zinc/15/11/65/374151165.db2.gz BOTQVIGDIHPHIO-SECBINFHSA-N 0 3 279.362 -1.546 20 0 CAADHN C[C@H]1CN(S(=O)(=O)C[C@@H]2CNCCO2)CCN1 ZINC000631904154 374151638 /nfs/dbraw/zinc/15/16/38/374151638.db2.gz GEGKJUYQCPHWES-UWVGGRQHSA-N 0 3 263.363 -1.402 20 0 CAADHN O=S(=O)(C[C@@H]1CNCCO1)N1CCCNCC1 ZINC000631901248 374151826 /nfs/dbraw/zinc/15/18/26/374151826.db2.gz WHENEBPINUFKBL-JTQLQIEISA-N 0 3 263.363 -1.400 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C[C@@H]2CNCCO2)CCN1 ZINC000631904156 374151949 /nfs/dbraw/zinc/15/19/49/374151949.db2.gz GEGKJUYQCPHWES-ZJUUUORDSA-N 0 3 263.363 -1.402 20 0 CAADHN CNCCNS(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000631903699 374152067 /nfs/dbraw/zinc/15/20/67/374152067.db2.gz RMRWKVSNWPWWQN-SECBINFHSA-N 0 3 261.347 -1.112 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C[C@@H]2CNCCO2)[C@H](C)CN1 ZINC000631930069 374154242 /nfs/dbraw/zinc/15/42/42/374154242.db2.gz WHVWYHBOYNXWTC-MXWKQRLJSA-N 0 3 277.390 -1.013 20 0 CAADHN CCN1C[C@H](S(=O)(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000631944390 374156661 /nfs/dbraw/zinc/15/66/61/374156661.db2.gz WFOSDMISSAZJON-VHSXEESVSA-N 0 3 291.373 -1.485 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@@H]1COCCN1 ZINC000631954451 374158228 /nfs/dbraw/zinc/15/82/28/374158228.db2.gz MDYYXULHRVWZIU-SNVBAGLBSA-N 0 3 265.379 -1.154 20 0 CAADHN CN(C)CCCS(=O)(=O)NCCN1C(=O)CNC1=O ZINC000631962078 374158489 /nfs/dbraw/zinc/15/84/89/374158489.db2.gz CTGQNKDKYILAAZ-UHFFFAOYSA-N 0 3 292.361 -1.591 20 0 CAADHN CC1(C)CN(S(=O)(=O)C[C@H]2CNCCO2)CCN1 ZINC000631951404 374158549 /nfs/dbraw/zinc/15/85/49/374158549.db2.gz HAIPFQRWIVMNJC-SNVBAGLBSA-N 0 3 277.390 -1.012 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCN2C(=O)NC[C@@H]2C1 ZINC000632078139 374160400 /nfs/dbraw/zinc/16/04/00/374160400.db2.gz JLEUVQRIVUUSRS-SNVBAGLBSA-N 0 3 290.389 -1.023 20 0 CAADHN CN(C)CCCS(=O)(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000632168926 374163439 /nfs/dbraw/zinc/16/34/39/374163439.db2.gz DMXDHFXEHOCLKH-DTORHVGOSA-N 0 3 252.336 -1.695 20 0 CAADHN O=S(=O)(CCCN1CCCC1)N1C[C@@H](O)[C@@H](O)C1 ZINC000632168586 374164394 /nfs/dbraw/zinc/16/43/94/374164394.db2.gz SEBMPTPATFGTSO-PHIMTYICSA-N 0 3 278.374 -1.161 20 0 CAADHN CN(C)CCCS(=O)(=O)NCc1nnn(C)n1 ZINC000632286698 374166089 /nfs/dbraw/zinc/16/60/89/374166089.db2.gz YHKSBPZWSWCKRZ-UHFFFAOYSA-N 0 3 262.339 -1.419 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@]1(O)CCN(C)C1 ZINC000632213356 374166195 /nfs/dbraw/zinc/16/61/95/374166195.db2.gz HAVQHQMMMITZSQ-LLVKDONJSA-N 0 3 279.406 -1.076 20 0 CAADHN Cn1cnnc1S(=O)(=O)[N-]CCOCC[NH+](C)C ZINC000632201031 374166424 /nfs/dbraw/zinc/16/64/24/374166424.db2.gz IXAWEIWDNMGBIB-UHFFFAOYSA-N 0 3 277.350 -1.328 20 0 CAADHN CN(C)CCn1cc(C(=O)NC(C)(CO)CO)cn1 ZINC000632372259 374168104 /nfs/dbraw/zinc/16/81/04/374168104.db2.gz GVDPVGHIVHLUDZ-UHFFFAOYSA-N 0 3 270.333 -1.082 20 0 CAADHN CN(C)CCCS(=O)(=O)N[C@@H]1COC[C@H]1O ZINC000632417584 374170108 /nfs/dbraw/zinc/17/01/08/374170108.db2.gz ZFXPGGLKKULRNA-RKDXNWHRSA-N 0 3 252.336 -1.383 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCOC[C@H](O)C1 ZINC000632390386 374170287 /nfs/dbraw/zinc/17/02/87/374170287.db2.gz ADCGYSACMPZUTK-SNVBAGLBSA-N 0 3 266.363 -1.039 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CC(NS(C)(=O)=O)C1 ZINC000632594097 374173401 /nfs/dbraw/zinc/17/34/01/374173401.db2.gz MEOVAPSPXTVMID-UHFFFAOYSA-N 0 3 299.418 -1.499 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)CCCN(C)C)C[C@@H](C(N)=O)O1 ZINC000632591889 374173708 /nfs/dbraw/zinc/17/37/08/374173708.db2.gz JWAYRRXTYKCZSN-ZJUUUORDSA-N 0 3 293.389 -1.158 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCN(C)C[C@H]1CO ZINC000632576416 374174027 /nfs/dbraw/zinc/17/40/27/374174027.db2.gz QHVVLZGWHRPBSL-NSHDSACASA-N 0 3 279.406 -1.124 20 0 CAADHN C[C@H]1CN(S(=O)(=O)CCCN(C)C)C[C@@H](C(N)=O)O1 ZINC000632591887 374174042 /nfs/dbraw/zinc/17/40/42/374174042.db2.gz JWAYRRXTYKCZSN-UWVGGRQHSA-N 0 3 293.389 -1.158 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCO[C@H](CC(N)=O)C1 ZINC000632600086 374176035 /nfs/dbraw/zinc/17/60/35/374176035.db2.gz GXCYOKQETANWSP-SNVBAGLBSA-N 0 3 293.389 -1.156 20 0 CAADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)O)CC1=O ZINC000633105079 374184896 /nfs/dbraw/zinc/18/48/96/374184896.db2.gz KJXIXFLCXABLNF-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN COCCN(C)CCN1C[C@H](NS(C)(=O)=O)CC1=O ZINC000632725315 374177420 /nfs/dbraw/zinc/17/74/20/374177420.db2.gz IBTQSGRJVIWCCZ-SNVBAGLBSA-N 0 3 293.389 -1.285 20 0 CAADHN COCCN(C)CCN1C[C@@H](NS(C)(=O)=O)CC1=O ZINC000632725314 374177638 /nfs/dbraw/zinc/17/76/38/374177638.db2.gz IBTQSGRJVIWCCZ-JTQLQIEISA-N 0 3 293.389 -1.285 20 0 CAADHN CN(C)CCn1cc(C(=O)NCc2nnn(C)n2)cn1 ZINC000632787820 374179246 /nfs/dbraw/zinc/17/92/46/374179246.db2.gz XUCYTEQHNCPPCX-UHFFFAOYSA-N 0 3 278.320 -1.102 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)C(C)(C)N)CC1 ZINC000040923115 374194621 /nfs/dbraw/zinc/19/46/21/374194621.db2.gz QPYJBRUYLKICDW-UHFFFAOYSA-N 0 3 256.350 -1.044 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2COCC[C@H]2O)CC1=O ZINC000634462353 374198726 /nfs/dbraw/zinc/19/87/26/374198726.db2.gz LBEXMZCDIWFZJT-QJPTWQEYSA-N 0 3 299.371 -1.338 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC2COC2)CC1=O ZINC000634256599 374198801 /nfs/dbraw/zinc/19/88/01/374198801.db2.gz SCPMZFPSTDGPQW-SECBINFHSA-N 0 3 255.318 -1.089 20 0 CAADHN CN1CCCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1 ZINC000071017293 374198920 /nfs/dbraw/zinc/19/89/20/374198920.db2.gz JQITUEHKOFLRDN-UHFFFAOYSA-N 0 3 266.301 -1.299 20 0 CAADHN CN(Cc1ncc[nH]1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000633101565 374185571 /nfs/dbraw/zinc/18/55/71/374185571.db2.gz CURHFCUFXBHPQG-SNVBAGLBSA-N 0 3 294.359 -1.531 20 0 CAADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H](C)O)CC1=O ZINC000633105076 374185722 /nfs/dbraw/zinc/18/57/22/374185722.db2.gz KJXIXFLCXABLNF-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@@H]1O ZINC000633151527 374187081 /nfs/dbraw/zinc/18/70/81/374187081.db2.gz RUDDPZDBMFWJDZ-GUBZILKMSA-N 0 3 255.318 -1.354 20 0 CAADHN O=C(NCCn1cnccc1=O)[C@H]1CN2CCN1CCC2 ZINC000633557848 374189102 /nfs/dbraw/zinc/18/91/02/374189102.db2.gz UMHUFGUHZJYDEH-GFCCVEGCSA-N 0 3 291.355 -1.251 20 0 CAADHN CN(C)CCn1cc(C(=O)N[C@@H]2COC[C@H]2O)cn1 ZINC000633334962 374189183 /nfs/dbraw/zinc/18/91/83/374189183.db2.gz BBUFCYVWAWJCBB-GHMZBOCLSA-N 0 3 268.317 -1.066 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N1CCN(c2ccncc2)CC1 ZINC000677947915 545607431 /nfs/dbraw/zinc/60/74/31/545607431.db2.gz CKFLXPJVUHGSOI-LLVKDONJSA-N 0 3 293.327 -1.241 20 0 CAADHN Cc1nnc2n1C[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)CC2 ZINC001152097672 781966426 /nfs/dbraw/zinc/96/64/26/781966426.db2.gz RXECZZXAQDSOEF-WPRPVWTQSA-N 0 3 294.359 -1.271 20 0 CAADHN COC[C@@H](NC(=O)C(=O)NC1CNC1)[C@H]1CCCO1 ZINC000574668497 335038366 /nfs/dbraw/zinc/03/83/66/335038366.db2.gz LHJKSLMLXRYDTP-NXEZZACHSA-N 0 3 271.317 -1.615 20 0 CAADHN CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001193456866 781969133 /nfs/dbraw/zinc/96/91/33/781969133.db2.gz YCDAKDCKCAUOFH-IJLUTSLNSA-N 0 3 291.367 -1.180 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001193456144 781969312 /nfs/dbraw/zinc/96/93/12/781969312.db2.gz NJBCDHGNWJCGCX-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN(C)C(=O)COC)C1 ZINC001193481760 781970758 /nfs/dbraw/zinc/97/07/58/781970758.db2.gz GYRHNFVYQGMRHX-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000574735232 335043400 /nfs/dbraw/zinc/04/34/00/335043400.db2.gz UFTUVMLLKHGHTP-YNEHKIRRSA-N 0 3 283.372 -1.016 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001193527583 781971102 /nfs/dbraw/zinc/97/11/02/781971102.db2.gz HCIJTVYYAUEFOT-NXEZZACHSA-N 0 3 270.333 -1.513 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193520483 781971147 /nfs/dbraw/zinc/97/11/47/781971147.db2.gz OTJWKSNQDWPOOF-RKDXNWHRSA-N 0 3 258.322 -1.513 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)NC(N)=O ZINC000429723674 295534982 /nfs/dbraw/zinc/53/49/82/295534982.db2.gz VJWSBLOLYICXQL-JGVFFNPUSA-N 0 3 292.361 -1.369 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](O)CN1CCCCC1 ZINC000434451260 295564097 /nfs/dbraw/zinc/56/40/97/295564097.db2.gz ZUEANZIPUDXBJV-JTQLQIEISA-N 0 3 268.321 -1.364 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@H]1O ZINC001193535631 781971278 /nfs/dbraw/zinc/97/12/78/781971278.db2.gz NEWGPMZRJAIROM-IVZWLZJFSA-N 0 3 290.339 -1.175 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001193504870 781972904 /nfs/dbraw/zinc/97/29/04/781972904.db2.gz DIKPWTHKFDULME-GHMZBOCLSA-N 0 3 287.360 -1.291 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)NC)C1 ZINC001193544951 781972667 /nfs/dbraw/zinc/97/26/67/781972667.db2.gz SXCLDSHFQKKLAN-NXEZZACHSA-N 0 3 272.349 -1.123 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001193569310 781973623 /nfs/dbraw/zinc/97/36/23/781973623.db2.gz ANSJCDMFGMWQGK-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](CO)C(C)C)n1 ZINC000342589037 252125705 /nfs/dbraw/zinc/12/57/05/252125705.db2.gz YDIBJZWESABNQR-JTQLQIEISA-N 0 3 298.391 -1.209 20 0 CAADHN COC[C@@H](C)Nc1nc(NCCO)nc(NC(C)C)n1 ZINC000342546976 252125762 /nfs/dbraw/zinc/12/57/62/252125762.db2.gz PTIQRLDERPICMA-SECBINFHSA-N 0 3 284.364 -1.191 20 0 CAADHN CN(C[C@@H](O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1)C1CC1 ZINC000328634946 252092936 /nfs/dbraw/zinc/09/29/36/252092936.db2.gz BUUCHRYSQQLYGX-VXGBXAGGSA-N 0 3 296.371 -1.916 20 0 CAADHN Cn1cnn(CC(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c1=O ZINC000328932092 252093480 /nfs/dbraw/zinc/09/34/80/252093480.db2.gz BLSJYMMOODWXMQ-MNOVXSKESA-N 0 3 295.343 -1.487 20 0 CAADHN CN1CCN(CCNC(=O)Cn2cnnn2)CC1(C)C ZINC000330431736 252096204 /nfs/dbraw/zinc/09/62/04/252096204.db2.gz WMUQCGHSPPAGHJ-UHFFFAOYSA-N 0 3 281.364 -1.185 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN1CCCCC1 ZINC000330442507 252096938 /nfs/dbraw/zinc/09/69/38/252096938.db2.gz FJSYGRFTVOQJQG-UHFFFAOYSA-N 0 3 278.378 -1.358 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)CNS(=O)(=O)NC ZINC000330472354 252097814 /nfs/dbraw/zinc/09/78/14/252097814.db2.gz DXDHQQPVZWOYTC-SECBINFHSA-N 0 3 278.378 -1.359 20 0 CAADHN CO[C@H]1C[C@@H](CO)N(C[C@@H](O)CN2CCOCC2)C1 ZINC000330527322 252098750 /nfs/dbraw/zinc/09/87/50/252098750.db2.gz DQNOQARXARHVTJ-AVGNSLFASA-N 0 3 274.361 -1.239 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1COCCN1C ZINC000330553046 252100405 /nfs/dbraw/zinc/10/04/05/252100405.db2.gz FSJGZCNZJYRNQF-CMPLNLGQSA-N 0 3 259.350 -1.254 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000330646804 252101828 /nfs/dbraw/zinc/10/18/28/252101828.db2.gz MOFZLQBEFHYMTG-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000330656126 252101974 /nfs/dbraw/zinc/10/19/74/252101974.db2.gz URYTZNWSMXVLPE-SNVBAGLBSA-N 0 3 296.327 -1.214 20 0 CAADHN CS[C@@H]1CN(C(=O)[C@H](CO)NC(N)=O)C[C@@H]1N(C)C ZINC000330648045 252102415 /nfs/dbraw/zinc/10/24/15/252102415.db2.gz HSZBQGKNIYSLHA-XHNCKOQMSA-N 0 3 290.389 -1.066 20 0 CAADHN CNS(=O)(=O)CC(=O)Nc1ccnn1CCN(C)C ZINC000330820535 252107450 /nfs/dbraw/zinc/10/74/50/252107450.db2.gz OVZXXHLFYRGACP-UHFFFAOYSA-N 0 3 289.361 -1.068 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCC(=O)N(C)C)CC1=O ZINC000342682739 252126539 /nfs/dbraw/zinc/12/65/39/252126539.db2.gz TUDMWDRKQYVVOW-JTQLQIEISA-N 0 3 284.360 -1.399 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2COCCO2)C[C@@H]1N(C)C ZINC000342674259 252126605 /nfs/dbraw/zinc/12/66/05/252126605.db2.gz XMRILKXEPNQHMG-UTUOFQBUSA-N 0 3 299.371 -1.074 20 0 CAADHN COC(=O)CNC(=O)CCN1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000331189728 252114105 /nfs/dbraw/zinc/11/41/05/252114105.db2.gz QFDYTEWTYPFEKI-QWRGUYRKSA-N 0 3 285.344 -1.320 20 0 CAADHN COC(=O)CNC(=O)CCN1C[C@@H]2[C@H](C1)OCCN2C ZINC000331189727 252114474 /nfs/dbraw/zinc/11/44/74/252114474.db2.gz QFDYTEWTYPFEKI-MNOVXSKESA-N 0 3 285.344 -1.320 20 0 CAADHN CN(C)CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000331023163 252114512 /nfs/dbraw/zinc/11/45/12/252114512.db2.gz LVIHHXMUOZZEGQ-UHFFFAOYSA-N 0 3 254.290 -1.031 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C1 ZINC000331224698 252116623 /nfs/dbraw/zinc/11/66/23/252116623.db2.gz MKBPHDQZQJUSKR-GHMZBOCLSA-N 0 3 287.360 -1.085 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000331224698 252116625 /nfs/dbraw/zinc/11/66/25/252116625.db2.gz MKBPHDQZQJUSKR-GHMZBOCLSA-N 0 3 287.360 -1.085 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1C[C@H](O)[C@@H](O)C1 ZINC000331293945 252118272 /nfs/dbraw/zinc/11/82/72/252118272.db2.gz MBCMTLWCOQTFCR-IUCAKERBSA-N 0 3 260.290 -1.955 20 0 CAADHN CC(C)(C)[C@H](CO)NCC(=O)N1CCNC(=O)C1 ZINC000331307972 252118336 /nfs/dbraw/zinc/11/83/36/252118336.db2.gz WQOOOZNEJMXJLE-VIFPVBQESA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N(C)[C@@H]2CCNC2=O)CC1=O ZINC000340454646 252120630 /nfs/dbraw/zinc/12/06/30/252120630.db2.gz HHVMSSCYDWBXMI-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)N(C)C ZINC000340728298 252120688 /nfs/dbraw/zinc/12/06/88/252120688.db2.gz SGGWOBCZNBNAGC-SFYZADRCSA-N 0 3 251.352 -1.010 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N(C)[C@H]2CCNC2=O)CC1=O ZINC000340454640 252120745 /nfs/dbraw/zinc/12/07/45/252120745.db2.gz HHVMSSCYDWBXMI-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN COCCN(C)CCCNC(=O)C(=O)N(C)[C@@H](C)CO ZINC000340557762 252121556 /nfs/dbraw/zinc/12/15/56/252121556.db2.gz QLXWDAPXFNDJNN-NSHDSACASA-N 0 3 289.376 -1.090 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)N(C)C ZINC000340728296 252121614 /nfs/dbraw/zinc/12/16/14/252121614.db2.gz SGGWOBCZNBNAGC-JGVFFNPUSA-N 0 3 251.352 -1.010 20 0 CAADHN CN(C)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2COCCO2)C1 ZINC000342650306 252126982 /nfs/dbraw/zinc/12/69/82/252126982.db2.gz QGXDYIFVMSBRSE-WDEREUQCSA-N 0 3 285.344 -1.320 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](CO)C2)n1 ZINC000342370492 252123040 /nfs/dbraw/zinc/12/30/40/252123040.db2.gz OQJSZPZPNHDXBF-SNVBAGLBSA-N 0 3 296.375 -1.242 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C ZINC000342497539 252124600 /nfs/dbraw/zinc/12/46/00/252124600.db2.gz NVZREFVJABXHNL-CABZTGNLSA-N 0 3 296.371 -1.162 20 0 CAADHN CNCCN(C)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000070303959 252077384 /nfs/dbraw/zinc/07/73/84/252077384.db2.gz PNISQQJOAHPUOO-UHFFFAOYSA-N 0 3 274.346 -1.036 20 0 CAADHN O=S(=O)([N-]CCN1CC[NH2+]CC1)c1c[nH]cn1 ZINC000070415358 252078521 /nfs/dbraw/zinc/07/85/21/252078521.db2.gz PFBRWQHPUYFICD-UHFFFAOYSA-N 0 3 259.335 -1.407 20 0 CAADHN CN(C)CCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000072530578 252079048 /nfs/dbraw/zinc/07/90/48/252079048.db2.gz MSADXIASODHFFS-UHFFFAOYSA-N 0 3 256.306 -1.005 20 0 CAADHN CN(C)CCNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000342663131 252127309 /nfs/dbraw/zinc/12/73/09/252127309.db2.gz LQGLWJLJRRDQDS-BDAKNGLRSA-N 0 3 258.322 -1.120 20 0 CAADHN NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000263266123 252079727 /nfs/dbraw/zinc/07/97/27/252079727.db2.gz VGXFKXVOYWHKFP-UHFFFAOYSA-N 0 3 270.333 -2.052 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCCN(C)C1=O ZINC000263239692 252080355 /nfs/dbraw/zinc/08/03/55/252080355.db2.gz KTPHNOKMKJOOKC-KOLCDFICSA-N 0 3 284.360 -1.177 20 0 CAADHN CCS(=O)(=O)N(C)CCCNC(=O)[C@H](CN)OC ZINC000353165112 252139089 /nfs/dbraw/zinc/13/90/89/252139089.db2.gz HASGDLUXGFHFQA-VIFPVBQESA-N 0 3 281.378 -1.252 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000353425323 252139093 /nfs/dbraw/zinc/13/90/93/252139093.db2.gz HCCYIKVEMTYEDG-GARJFASQSA-N 0 3 259.350 -1.126 20 0 CAADHN CO[C@H](CN)C(=O)NCCS(=O)(=O)NC(C)C ZINC000353124649 252139100 /nfs/dbraw/zinc/13/91/00/252139100.db2.gz FJIGXDAVGQMCOP-MRVPVSSYSA-N 0 3 267.351 -1.596 20 0 CAADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCCN(C)C ZINC000354451697 252140576 /nfs/dbraw/zinc/14/05/76/252140576.db2.gz VAZUMNNJKJHUKB-WCBMZHEXSA-N 0 3 257.334 -1.060 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)CN2CCCCC2)O1 ZINC000356448019 252141830 /nfs/dbraw/zinc/14/18/30/252141830.db2.gz PXPDUDIVDLYODQ-SDDRHHMPSA-N 0 3 299.371 -1.018 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(CCN(C)C)C1CC1 ZINC000356896015 252145378 /nfs/dbraw/zinc/14/53/78/252145378.db2.gz NQBFQIHZBIUVKV-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN NC(=O)[C@H]1CCCN1CCCNC(=O)C[C@@H]1COCCN1 ZINC000357169123 252147919 /nfs/dbraw/zinc/14/79/19/252147919.db2.gz CHONZRDDFSLSEC-VXGBXAGGSA-N 0 3 298.387 -1.179 20 0 CAADHN COC[C@@]1(CNC(=O)CN2CC(=O)[N-]C2=O)CCC[NH2+]1 ZINC000357295733 252148059 /nfs/dbraw/zinc/14/80/59/252148059.db2.gz WXYWYPQDOOXWTK-LBPRGKRZSA-N 0 3 284.316 -1.577 20 0 CAADHN COCCN(CCOC)S(=O)(=O)N(C)C1CNC1 ZINC000357481805 252149142 /nfs/dbraw/zinc/14/91/42/252149142.db2.gz JKJUZSFAMIQELG-UHFFFAOYSA-N 0 3 281.378 -1.270 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](O)C(C)C)n1 ZINC000357523469 252149750 /nfs/dbraw/zinc/14/97/50/252149750.db2.gz AWVOKWFKKJPQSW-JTQLQIEISA-N 0 3 298.391 -1.209 20 0 CAADHN C[C@H](Cn1cncn1)NC(=O)C(=O)N(C)CCN(C)C ZINC000357483902 252150535 /nfs/dbraw/zinc/15/05/35/252150535.db2.gz ZIKLSJYEXYTUNM-SNVBAGLBSA-N 0 3 282.348 -1.197 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CCCNC2=O)CC1=O ZINC000357805500 252152030 /nfs/dbraw/zinc/15/20/30/252152030.db2.gz XVZMUQWRBLZWGI-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCC(=O)N(C)C)CC1=O ZINC000357828073 252152252 /nfs/dbraw/zinc/15/22/52/252152252.db2.gz NJJVAIMKNYGXST-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN COc1ncc(NC(=O)[C@H]2C[C@H](O)CN2)cc1C(N)=O ZINC000357933923 252153396 /nfs/dbraw/zinc/15/33/96/252153396.db2.gz ZCFKSMVUHAQMNZ-IONNQARKSA-N 0 3 280.284 -1.150 20 0 CAADHN Cn1cc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2=O)cn1 ZINC000357901300 252153423 /nfs/dbraw/zinc/15/34/23/252153423.db2.gz DCXYBRWQOWSAPS-QWRGUYRKSA-N 0 3 293.327 -1.682 20 0 CAADHN Cn1cc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3)CC2=O)cn1 ZINC000357901302 252153429 /nfs/dbraw/zinc/15/34/29/252153429.db2.gz DCXYBRWQOWSAPS-WDEREUQCSA-N 0 3 293.327 -1.682 20 0 CAADHN Cn1cc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3)CC2=O)cn1 ZINC000357901295 252154223 /nfs/dbraw/zinc/15/42/23/252154223.db2.gz DCXYBRWQOWSAPS-GHMZBOCLSA-N 0 3 293.327 -1.682 20 0 CAADHN CC(C)N1CC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2)C1=O ZINC000357931353 252154292 /nfs/dbraw/zinc/15/42/92/252154292.db2.gz OYBSPUHAKYLJLW-GUBZILKMSA-N 0 3 255.318 -1.165 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2cc(C(N)=O)cn2C)C1 ZINC000358046960 252154865 /nfs/dbraw/zinc/15/48/65/252154865.db2.gz LBQNFOKSFACBOG-ZDUSSCGKSA-N 0 3 280.328 -1.080 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358059282 252155203 /nfs/dbraw/zinc/15/52/03/252155203.db2.gz DCRPFSCYXSUDEH-DGCLKSJQSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000358054695 252155855 /nfs/dbraw/zinc/15/58/55/252155855.db2.gz KWRXPJCZCBXUNI-CYBMUJFWSA-N 0 3 296.327 -2.270 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CN2C(=O)NC(C)(C)C2=O)C1 ZINC000358067198 252156259 /nfs/dbraw/zinc/15/62/59/252156259.db2.gz PEQVZKZPPHVCHF-CYBMUJFWSA-N 0 3 298.343 -1.500 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC000358060568 252156308 /nfs/dbraw/zinc/15/63/08/252156308.db2.gz FHOFZLBCTYMPLD-ZYHUDNBSSA-N 0 3 257.334 -1.500 20 0 CAADHN CN1CCC(C(=O)NCCN2CCNC(=O)C2)CC1 ZINC000358535560 252157177 /nfs/dbraw/zinc/15/71/77/252157177.db2.gz OZQAQBTVDHUMRH-UHFFFAOYSA-N 0 3 268.361 -1.124 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)C(C)S(C)(=O)=O ZINC000358893003 252157204 /nfs/dbraw/zinc/15/72/04/252157204.db2.gz BPRUCIKNNWFAGX-ZETCQYMHSA-N 0 3 294.329 -1.704 20 0 CAADHN CCN(CCO)CCNC(=O)NCc1cnnn1C ZINC000358938947 252160044 /nfs/dbraw/zinc/16/00/44/252160044.db2.gz ZFLIJOUKTVQZFN-UHFFFAOYSA-N 0 3 270.337 -1.072 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCCN2CCOCC2)C[C@H]1O ZINC000359418566 252161019 /nfs/dbraw/zinc/16/10/19/252161019.db2.gz VJKCLQIRMRGLJG-NWDGAFQWSA-N 0 3 286.376 -1.365 20 0 CAADHN CN(C)[C@@H]1CN(C(=O)NCCN2CCOCC2)C[C@@H]1O ZINC000359418553 252161755 /nfs/dbraw/zinc/16/17/55/252161755.db2.gz VJKCLQIRMRGLJG-NEPJUHHUSA-N 0 3 286.376 -1.365 20 0 CAADHN CN(CCCS(N)(=O)=O)[C@]1(CO)CCOC1 ZINC000359577409 252162690 /nfs/dbraw/zinc/16/26/90/252162690.db2.gz GNYQAVWDBHSXCQ-VIFPVBQESA-N 0 3 252.336 -1.252 20 0 CAADHN COC[C@H](CO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000359668851 252163055 /nfs/dbraw/zinc/16/30/55/252163055.db2.gz WWOUOLYEYFSIHN-WDEREUQCSA-N 0 3 257.334 -1.500 20 0 CAADHN COCCN1CCC(NC(=O)NC(CO)CO)CC1 ZINC000359893997 252165405 /nfs/dbraw/zinc/16/54/05/252165405.db2.gz DDOKJNXRLWYMDJ-UHFFFAOYSA-N 0 3 275.349 -1.250 20 0 CAADHN CN1CCN(CCNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC000360151432 252166052 /nfs/dbraw/zinc/16/60/52/252166052.db2.gz PIUBSKLTZITJKV-GFCCVEGCSA-N 0 3 270.377 -1.319 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N(CCO)C1CC1 ZINC000360284021 252166327 /nfs/dbraw/zinc/16/63/27/252166327.db2.gz DDHSQCXOQMUVKJ-UHFFFAOYSA-N 0 3 287.360 -1.336 20 0 CAADHN CN1CCN(CCNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000360151433 252166354 /nfs/dbraw/zinc/16/63/54/252166354.db2.gz PIUBSKLTZITJKV-LBPRGKRZSA-N 0 3 270.377 -1.319 20 0 CAADHN C[C@@H]1COCCN1C(=O)C(=O)NCCOCCN(C)C ZINC000360277539 252166374 /nfs/dbraw/zinc/16/63/74/252166374.db2.gz CXIUQCZJYSSCCW-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N1CCC[C@H]1CO ZINC000360271378 252166479 /nfs/dbraw/zinc/16/64/79/252166479.db2.gz IQNOZSCWUFRLLQ-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN C[C@@H](O)CCN(C)C(=O)C(=O)NCCOCCN(C)C ZINC000360278753 252167050 /nfs/dbraw/zinc/16/70/50/252167050.db2.gz LLGZOQRHPQVBAQ-LLVKDONJSA-N 0 3 289.376 -1.090 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@](C)(O)C2)n1 ZINC000342827372 252128229 /nfs/dbraw/zinc/12/82/29/252128229.db2.gz YUJZFRRUENQVAV-CYBMUJFWSA-N 0 3 296.375 -1.099 20 0 CAADHN CC[C@H](CO)Nc1nc(NC)nc(N[C@@H](CC)CO)n1 ZINC000342790093 252128941 /nfs/dbraw/zinc/12/89/41/252128941.db2.gz QYTNPNRGPPXNHI-DTORHVGOSA-N 0 3 284.364 -1.455 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CNC(=O)C2)n1 ZINC000342935934 252129676 /nfs/dbraw/zinc/12/96/76/252129676.db2.gz CGSWZBUBIBBBLA-QMMMGPOBSA-N 0 3 295.347 -2.338 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCn2cnnc2C1)C1CC1 ZINC000343307620 252131327 /nfs/dbraw/zinc/13/13/27/252131327.db2.gz YXXUFOLSCJCDOS-UHFFFAOYSA-N 0 3 292.343 -1.169 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000343312265 252131676 /nfs/dbraw/zinc/13/16/76/252131676.db2.gz OMTPRGWIWOJKNP-VIFPVBQESA-N 0 3 282.344 -1.456 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1 ZINC000343274199 252132088 /nfs/dbraw/zinc/13/20/88/252132088.db2.gz KBUHHBYUCGUDMB-RYUDHWBXSA-N 0 3 297.355 -1.223 20 0 CAADHN CN(CCOCCO)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343304487 252132230 /nfs/dbraw/zinc/13/22/30/252132230.db2.gz VMCVQVCOMMRGGL-UHFFFAOYSA-N 0 3 287.360 -1.336 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)C[C@@H](CO)O1 ZINC000343316290 252132386 /nfs/dbraw/zinc/13/23/86/252132386.db2.gz ZEEYDOFKSHXWPK-JQWIXIFHSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CC(=O)N1C ZINC000343298654 252132509 /nfs/dbraw/zinc/13/25/09/252132509.db2.gz GYJSKZRORFCNJO-JTQLQIEISA-N 0 3 296.371 -1.114 20 0 CAADHN CC(=O)NCCCNC(=O)C(=O)NCCN(C)C1CC1 ZINC000343293081 252132601 /nfs/dbraw/zinc/13/26/01/252132601.db2.gz GXAILZRMGPWPSL-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NCCOCCN(C)C ZINC000345965532 252134112 /nfs/dbraw/zinc/13/41/12/252134112.db2.gz SIDQTPYNAFTTCB-VIFPVBQESA-N 0 3 281.378 -1.382 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000345006794 252134160 /nfs/dbraw/zinc/13/41/60/252134160.db2.gz LKABFOOFQBEWIY-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000343325658 252134375 /nfs/dbraw/zinc/13/43/75/252134375.db2.gz YRAOHGQJIQGOIX-MNOVXSKESA-N 0 3 266.345 -1.277 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCN(C)[C@H]1C ZINC000345006792 252134673 /nfs/dbraw/zinc/13/46/73/252134673.db2.gz LKABFOOFQBEWIY-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CN1CN(C(=O)[C@H]2CN3CCN2CCC3)CC1=O ZINC000351967595 252136802 /nfs/dbraw/zinc/13/68/02/252136802.db2.gz MHIXQNUCTSPHKE-SNVBAGLBSA-N 0 3 252.318 -1.366 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000353425325 252137482 /nfs/dbraw/zinc/13/74/82/252137482.db2.gz HCCYIKVEMTYEDG-HBNTYKKESA-N 0 3 259.350 -1.126 20 0 CAADHN C[C@H](N)C(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1 ZINC000353652368 252137692 /nfs/dbraw/zinc/13/76/92/252137692.db2.gz YKRDEPSIMFNXLE-JTQLQIEISA-N 0 3 294.359 -1.057 20 0 CAADHN CCN(CCNC(=O)C[C@@H](NC(C)=O)C(N)=O)C1CC1 ZINC000353777694 252138057 /nfs/dbraw/zinc/13/80/57/252138057.db2.gz LWFJBYLKVSUCQA-LLVKDONJSA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363394620 252180568 /nfs/dbraw/zinc/18/05/68/252180568.db2.gz CYYJLOLAJGTBES-VHSXEESVSA-N 0 3 296.327 -1.482 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCNC(=O)C1 ZINC000362974673 252180675 /nfs/dbraw/zinc/18/06/75/252180675.db2.gz YTXORFVNANZPCP-QWRGUYRKSA-N 0 3 282.344 -1.009 20 0 CAADHN CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000367367858 252181729 /nfs/dbraw/zinc/18/17/29/252181729.db2.gz OCZHQWRYFKIMHC-SNVBAGLBSA-N 0 3 282.344 -1.503 20 0 CAADHN CN(CC(=O)NC[C@@H]1C[C@H](F)CN1)S(C)(=O)=O ZINC000368180754 252183008 /nfs/dbraw/zinc/18/30/08/252183008.db2.gz SQBOCIFPFGLPNW-YUMQZZPRSA-N 0 3 267.326 -1.306 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@@H]3C[C@@H]32)n1 ZINC000368038166 252183082 /nfs/dbraw/zinc/18/30/82/252183082.db2.gz DVCMFKDHOBJDOL-VHSXEESVSA-N 0 3 294.359 -1.083 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@H]3C[C@H]32)n1 ZINC000368038167 252183934 /nfs/dbraw/zinc/18/39/34/252183934.db2.gz DVCMFKDHOBJDOL-ZJUUUORDSA-N 0 3 294.359 -1.083 20 0 CAADHN C[C@]1(C(N)=O)CCN(CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000361566673 252173522 /nfs/dbraw/zinc/17/35/22/252173522.db2.gz SCRNZUJRVSIXFX-HZMBPMFUSA-N 0 3 296.371 -1.092 20 0 CAADHN COC(=O)C[C@]1(NCCN2C(=O)CNC2=O)CCOC1 ZINC000362263603 252175338 /nfs/dbraw/zinc/17/53/38/252175338.db2.gz VJLIIULZZVYVRM-GFCCVEGCSA-N 0 3 285.300 -1.150 20 0 CAADHN COC[C@@](C)(CNC(=O)CN(C)C)NC(=O)CN(C)C ZINC000362128709 252175528 /nfs/dbraw/zinc/17/55/28/252175528.db2.gz HIXWJZAXSBXXES-CYBMUJFWSA-N 0 3 288.392 -1.253 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2C[C@H](F)CN2)c1=O ZINC000368385591 252185883 /nfs/dbraw/zinc/18/58/83/252185883.db2.gz PDMPGASIPYTSLT-BQBZGAKWSA-N 0 3 270.264 -1.084 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@H]1CNCCO1 ZINC000368836809 252189017 /nfs/dbraw/zinc/18/90/17/252189017.db2.gz ZYIVUGIDTLTXGV-GRYCIOLGSA-N 0 3 269.345 -1.046 20 0 CAADHN O=C(CNC(=O)[C@H]1CN2CCN1CCC2)NCC(F)F ZINC000370527821 252189375 /nfs/dbraw/zinc/18/93/75/252189375.db2.gz QLYJVRASJGWKEA-SECBINFHSA-N 0 3 290.314 -1.126 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000371198801 252191118 /nfs/dbraw/zinc/19/11/18/252191118.db2.gz PGSZNIMSMMUSSE-AEJSXWLSSA-N 0 3 296.327 -1.436 20 0 CAADHN COCCNC(=O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000371250891 252191450 /nfs/dbraw/zinc/19/14/50/252191450.db2.gz DYHSVIGIARGFKQ-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN COCCN(C)CCNC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000371522059 252191522 /nfs/dbraw/zinc/19/15/22/252191522.db2.gz OLRINLBKZDVUHM-JTQLQIEISA-N 0 3 288.348 -1.540 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000371198802 252191802 /nfs/dbraw/zinc/19/18/02/252191802.db2.gz PGSZNIMSMMUSSE-BBBLOLIVSA-N 0 3 296.327 -1.436 20 0 CAADHN CN(C)C(=O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000371258916 252192029 /nfs/dbraw/zinc/19/20/29/252192029.db2.gz QOWGPBBZDXBZNT-SNVBAGLBSA-N 0 3 254.334 -1.419 20 0 CAADHN Cn1cnn(CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1=O ZINC000371498987 252192488 /nfs/dbraw/zinc/19/24/88/252192488.db2.gz AMABHENDLLXDEN-MNOVXSKESA-N 0 3 295.343 -1.439 20 0 CAADHN COC(=O)CNC(=O)CN1CC[C@H](CN2CCOCC2)C1 ZINC000371755423 252194377 /nfs/dbraw/zinc/19/43/77/252194377.db2.gz MZMBYJRWPBJVFI-GFCCVEGCSA-N 0 3 299.371 -1.070 20 0 CAADHN CN1CC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)C1=O ZINC000372328901 252194511 /nfs/dbraw/zinc/19/45/11/252194511.db2.gz ASMMHZKXRDGHHM-WDEREUQCSA-N 0 3 266.345 -1.277 20 0 CAADHN CN(C)C(=O)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000372361542 252195089 /nfs/dbraw/zinc/19/50/89/252195089.db2.gz QVBAUBYPQRXKQY-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CCN(CC(N)=O)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000373714381 252197735 /nfs/dbraw/zinc/19/77/35/252197735.db2.gz OOYZNBRPLPIWBU-JTQLQIEISA-N 0 3 254.334 -1.290 20 0 CAADHN COC(=O)[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)[C@H](C)O ZINC000373656492 252198212 /nfs/dbraw/zinc/19/82/12/252198212.db2.gz DVPWZBSEHCVMEF-GARJFASQSA-N 0 3 285.344 -1.585 20 0 CAADHN COC(=O)[C@H](NC(=O)[C@H]1CN2CCN1CCC2)[C@@H](C)O ZINC000373656493 252198406 /nfs/dbraw/zinc/19/84/06/252198406.db2.gz DVPWZBSEHCVMEF-GMTAPVOTSA-N 0 3 285.344 -1.585 20 0 CAADHN COC(=O)CNC(=O)CCN1CCN2CCOC[C@H]2C1 ZINC000375239563 252201417 /nfs/dbraw/zinc/20/14/17/252201417.db2.gz FYVTUQAAFCXEDP-LLVKDONJSA-N 0 3 285.344 -1.318 20 0 CAADHN CN(CCC(N)=O)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000376196650 252204374 /nfs/dbraw/zinc/20/43/74/252204374.db2.gz HJUXBMQUQDOSGX-JTQLQIEISA-N 0 3 254.334 -1.290 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000377468623 252205437 /nfs/dbraw/zinc/20/54/37/252205437.db2.gz CHCZDALSUSPOKH-UWVGGRQHSA-N 0 3 266.305 -1.348 20 0 CAADHN CCN(C)C(=O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000376939527 252205939 /nfs/dbraw/zinc/20/59/39/252205939.db2.gz NNZSDZCKEZKOFO-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CCN1C(=O)[C@H]2CN(C(=O)CNCCOC)CCN2C1=O ZINC000378212343 252207748 /nfs/dbraw/zinc/20/77/48/252207748.db2.gz UTAZCQAVNNEAIW-SNVBAGLBSA-N 0 3 298.343 -1.283 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2nnnn2C)CC1 ZINC000378180889 252208015 /nfs/dbraw/zinc/20/80/15/252208015.db2.gz ALFNQUXGNCIUQX-LLVKDONJSA-N 0 3 293.375 -1.052 20 0 CAADHN COCCNCC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000400219265 252208768 /nfs/dbraw/zinc/20/87/68/252208768.db2.gz NABCVYWKUOWXFE-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN COCCNCC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000400219268 252209486 /nfs/dbraw/zinc/20/94/86/252209486.db2.gz NABCVYWKUOWXFE-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000407995592 252211669 /nfs/dbraw/zinc/21/16/69/252211669.db2.gz IPCAUIYVIBGFPK-RKDXNWHRSA-N 0 3 290.389 -1.218 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000407996508 252211816 /nfs/dbraw/zinc/21/18/16/252211816.db2.gz FOIVVNAUGNAXIM-SCZZXKLOSA-N 0 3 290.389 -1.361 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000407995585 252212116 /nfs/dbraw/zinc/21/21/16/252212116.db2.gz IPCAUIYVIBGFPK-BDAKNGLRSA-N 0 3 290.389 -1.218 20 0 CAADHN CC[C@H](C(=O)N1CCN(S(N)(=O)=O)CC1)N(C)C ZINC000407990656 252212463 /nfs/dbraw/zinc/21/24/63/252212463.db2.gz PRBFXQQYKLRDMO-SECBINFHSA-N 0 3 278.378 -1.326 20 0 CAADHN COCCN1CN(C(=O)[C@@H]2CN3CCN2CCC3)CC1=O ZINC000374636263 252199897 /nfs/dbraw/zinc/19/98/97/252199897.db2.gz LQZBZORDXIWJAO-LBPRGKRZSA-N 0 3 296.371 -1.349 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNC(N)=O)CC1 ZINC000408115372 252223200 /nfs/dbraw/zinc/22/32/00/252223200.db2.gz JNBPRNCNTXHUNP-SNVBAGLBSA-N 0 3 297.359 -1.580 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CO)CC1 ZINC000408137742 252224350 /nfs/dbraw/zinc/22/43/50/252224350.db2.gz HRUNFDSLHZCELP-JTQLQIEISA-N 0 3 255.318 -1.256 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1 ZINC000408174620 252225441 /nfs/dbraw/zinc/22/54/41/252225441.db2.gz SXFLGKCLSRHUHV-RYUDHWBXSA-N 0 3 296.371 -1.650 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCO1 ZINC000408174618 252225925 /nfs/dbraw/zinc/22/59/25/252225925.db2.gz SXFLGKCLSRHUHV-NEPJUHHUSA-N 0 3 296.371 -1.650 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CCNC(=O)CC1 ZINC000408028239 252214471 /nfs/dbraw/zinc/21/44/71/252214471.db2.gz RKYKUCLWFWWWFE-LLVKDONJSA-N 0 3 266.345 -1.275 20 0 CAADHN CCNC(=O)C1CN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000408033041 252215391 /nfs/dbraw/zinc/21/53/91/252215391.db2.gz GZRAJFQELNASEX-GFCCVEGCSA-N 0 3 280.372 -1.029 20 0 CAADHN O=C(NC[C@@H]1COCCO1)[C@@H]1CN2CCN1CCC2 ZINC000408026883 252215576 /nfs/dbraw/zinc/21/55/76/252215576.db2.gz JNKVGRLGIJBRKC-NEPJUHHUSA-N 0 3 269.345 -1.092 20 0 CAADHN O=C(NC[C@H]1COCCO1)[C@@H]1CN2CCN1CCC2 ZINC000408026885 252215657 /nfs/dbraw/zinc/21/56/57/252215657.db2.gz JNKVGRLGIJBRKC-RYUDHWBXSA-N 0 3 269.345 -1.092 20 0 CAADHN O=C(NC[C@@]1(O)CCOC1)[C@@H]1CN2CCN1CCC2 ZINC000408039594 252216452 /nfs/dbraw/zinc/21/64/52/252216452.db2.gz WRJFAWFHIWXJHV-AAEUAGOBSA-N 0 3 269.345 -1.356 20 0 CAADHN O=C(NC[C@]1(O)CCOC1)[C@@H]1CN2CCN1CCC2 ZINC000408039636 252216581 /nfs/dbraw/zinc/21/65/81/252216581.db2.gz WRJFAWFHIWXJHV-WCQYABFASA-N 0 3 269.345 -1.356 20 0 CAADHN O=C(NC[C@@]1(O)CCOC1)[C@H]1CN2CCN1CCC2 ZINC000408039637 252216644 /nfs/dbraw/zinc/21/66/44/252216644.db2.gz WRJFAWFHIWXJHV-YPMHNXCESA-N 0 3 269.345 -1.356 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CCN2C(=O)NC[C@@H]2C1 ZINC000408035708 252217116 /nfs/dbraw/zinc/21/71/16/252217116.db2.gz ZGNFIDOQWZJLGJ-VXGBXAGGSA-N 0 3 293.371 -1.388 20 0 CAADHN CC(C(=O)N1CCN(C(=O)[C@H](C)O)CC1)S(C)(=O)=O ZINC000408046643 252219026 /nfs/dbraw/zinc/21/90/26/252219026.db2.gz XPQDLVQDXJSYTR-DTWKUNHWSA-N 0 3 292.357 -1.529 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCNC(C)(C)C1 ZINC000408455577 252240766 /nfs/dbraw/zinc/24/07/66/252240766.db2.gz YTCQBINKEPSMMI-UHFFFAOYSA-N 0 3 264.351 -1.749 20 0 CAADHN CCN1CCC(NC(=O)CN2C[C@H](O)[C@@H](O)C2)CC1 ZINC000408445001 252241421 /nfs/dbraw/zinc/24/14/21/252241421.db2.gz XCXKQOFJSPMESG-RYUDHWBXSA-N 0 3 271.361 -1.376 20 0 CAADHN CCN1CCC(NC(=O)CN2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000408445002 252241491 /nfs/dbraw/zinc/24/14/91/252241491.db2.gz XCXKQOFJSPMESG-TXEJJXNPSA-N 0 3 271.361 -1.376 20 0 CAADHN CO[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)C[C@H]1O ZINC000408464026 252241536 /nfs/dbraw/zinc/24/15/36/252241536.db2.gz HEUHCCVIFWFFNL-IJLUTSLNSA-N 0 3 269.345 -1.406 20 0 CAADHN CC(C(=O)N1CCN2CCOC[C@@H]2C1)S(C)(=O)=O ZINC000408199613 252227219 /nfs/dbraw/zinc/22/72/19/252227219.db2.gz USWRACMVGLPLHH-UWVGGRQHSA-N 0 3 276.358 -1.038 20 0 CAADHN CC(C(=O)N1CCN2CCOC[C@H]2C1)S(C)(=O)=O ZINC000408199614 252227836 /nfs/dbraw/zinc/22/78/36/252227836.db2.gz USWRACMVGLPLHH-VHSXEESVSA-N 0 3 276.358 -1.038 20 0 CAADHN O=C(N[C@H]1CNC(=O)C1)[C@H]1CN2CCN1CCC2 ZINC000408203477 252228784 /nfs/dbraw/zinc/22/87/84/252228784.db2.gz QPDAFLOFWAOFRN-NXEZZACHSA-N 0 3 252.318 -1.619 20 0 CAADHN CNS(=O)(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000408240768 252230280 /nfs/dbraw/zinc/23/02/80/252230280.db2.gz FUJUYSLVOMODTK-UHFFFAOYSA-N 0 3 292.405 -1.017 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CC(=O)N1 ZINC000410464570 252242449 /nfs/dbraw/zinc/24/24/49/252242449.db2.gz DRQXWGSVNLLBRX-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)C[C@@H](CO)O1 ZINC000408280050 252233095 /nfs/dbraw/zinc/23/30/95/252233095.db2.gz MQNNLQWSCHUEDW-FRRDWIJNSA-N 0 3 283.372 -1.016 20 0 CAADHN Cn1nnc(CNC(=O)[C@H]2CN3CCN2CCC3)n1 ZINC000408372128 252236430 /nfs/dbraw/zinc/23/64/30/252236430.db2.gz BBDIGKHEDDOXEV-SECBINFHSA-N 0 3 265.321 -1.784 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000515668615 252253955 /nfs/dbraw/zinc/25/39/55/252253955.db2.gz KOCCXFPMDJYRSO-QWRGUYRKSA-N 0 3 255.318 -1.402 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@]2(O)CCN(C)C2)O1 ZINC000355813555 532957507 /nfs/dbraw/zinc/95/75/07/532957507.db2.gz YQVWGTFZVPQNAS-NRUUGDAUSA-N 0 3 286.328 -1.110 20 0 CAADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@]1(O)CCOC1 ZINC000516314172 252254995 /nfs/dbraw/zinc/25/49/95/252254995.db2.gz YRVKUXIPSGQDBP-STQMWFEESA-N 0 3 270.329 -1.289 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CC(=O)N1 ZINC000408467666 252243337 /nfs/dbraw/zinc/24/33/37/252243337.db2.gz OYBRMQHFDHGBGQ-MNOVXSKESA-N 0 3 266.345 -1.277 20 0 CAADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000411031697 252244377 /nfs/dbraw/zinc/24/43/77/252244377.db2.gz TUCSXKPXDAFUSW-LLVKDONJSA-N 0 3 296.371 -1.114 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)N(C)CCO ZINC000410506249 252244405 /nfs/dbraw/zinc/24/44/05/252244405.db2.gz XCLNUEQERQBMCX-UHFFFAOYSA-N 0 3 275.349 -1.526 20 0 CAADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000418811708 252247764 /nfs/dbraw/zinc/24/77/64/252247764.db2.gz WCEGSLTWGQCLQY-VHSXEESVSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)N(CCN)CCO)C1 ZINC000418985515 252247859 /nfs/dbraw/zinc/24/78/59/252247859.db2.gz FGQYVMONLRHKBZ-PHIMTYICSA-N 0 3 287.360 -1.162 20 0 CAADHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000418804300 252248252 /nfs/dbraw/zinc/24/82/52/252248252.db2.gz MHFQETLCLOWWQI-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN NCCN(CCO)C(=O)C(=O)NCCOC1CCCC1 ZINC000418783157 252248285 /nfs/dbraw/zinc/24/82/85/252248285.db2.gz OAJJKPUHCMROOL-UHFFFAOYSA-N 0 3 287.360 -1.159 20 0 CAADHN CCCC[C@@H](CN)NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000418804299 252248389 /nfs/dbraw/zinc/24/83/89/252248389.db2.gz MHFQETLCLOWWQI-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CN1C[C@@H](NC(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1=O ZINC000418813583 252248415 /nfs/dbraw/zinc/24/84/15/252248415.db2.gz YNZFYYXHUNXPNW-QWRGUYRKSA-N 0 3 296.371 -1.033 20 0 CAADHN NCCN(CCO)C(=O)C(=O)NCCOc1ccccc1 ZINC000418828497 252248441 /nfs/dbraw/zinc/24/84/41/252248441.db2.gz FPVQTLCXBBVMNS-UHFFFAOYSA-N 0 3 295.339 -1.039 20 0 CAADHN O=C(CN[C@H](CO)[C@H]1CCCO1)N1CCOCC1 ZINC000447909851 252248880 /nfs/dbraw/zinc/24/88/80/252248880.db2.gz DULQDEUBUYJRLW-GHMZBOCLSA-N 0 3 258.318 -1.025 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H](CO)[C@H]1CCCO1 ZINC000447907644 252248967 /nfs/dbraw/zinc/24/89/67/252248967.db2.gz ADUWBAZANPJAFY-XHNCKOQMSA-N 0 3 259.306 -1.040 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H](CO)[C@@H]1CCCO1 ZINC000447907642 252249238 /nfs/dbraw/zinc/24/92/38/252249238.db2.gz ADUWBAZANPJAFY-CIUDSAMLSA-N 0 3 259.306 -1.040 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H](CO)[C@@H]1CCCO1 ZINC000447907645 252249545 /nfs/dbraw/zinc/24/95/45/252249545.db2.gz ADUWBAZANPJAFY-YIZRAAEISA-N 0 3 259.306 -1.040 20 0 CAADHN OC[C@H](NC[C@@H](O)CN1CCOCC1)[C@H]1CCCO1 ZINC000447918063 252249733 /nfs/dbraw/zinc/24/97/33/252249733.db2.gz RYDVLCFCCRCTDN-FRRDWIJNSA-N 0 3 274.361 -1.191 20 0 CAADHN C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)N(C)C)C(=O)NCCN(C)C ZINC000514827326 252250395 /nfs/dbraw/zinc/25/03/95/252250395.db2.gz WIPBRXKHFZDIKS-AXFHLTTASA-N 0 3 298.387 -1.107 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H](O)C2CCOCC2)C[C@@H]1O ZINC000514796813 252250451 /nfs/dbraw/zinc/25/04/51/252250451.db2.gz MYBNSTVMFBHMKM-SRVKXCTJSA-N 0 3 272.345 -1.093 20 0 CAADHN COCCN1C[C@@H](C(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000514789995 252251014 /nfs/dbraw/zinc/25/10/14/252251014.db2.gz XJPOMEFSQKFULU-NWDGAFQWSA-N 0 3 298.387 -1.417 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC(=O)N(CCOC)C1 ZINC000514871263 252252117 /nfs/dbraw/zinc/25/21/17/252252117.db2.gz RQHWJZPESAITEI-LBPRGKRZSA-N 0 3 289.376 -1.326 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CC(=O)N(CCOC)C1 ZINC000514871261 252252794 /nfs/dbraw/zinc/25/27/94/252252794.db2.gz RQHWJZPESAITEI-GFCCVEGCSA-N 0 3 289.376 -1.326 20 0 CAADHN COCCN1CC[C@@H](NC(=O)COC2CNC2)C1 ZINC000430714112 532976279 /nfs/dbraw/zinc/97/62/79/532976279.db2.gz MJXQZAPEQDSIQB-SNVBAGLBSA-N 0 3 257.334 -1.188 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCN[C@H](C)C2)C1 ZINC000419734628 532976508 /nfs/dbraw/zinc/97/65/08/532976508.db2.gz VNPRKGQWAXNLPF-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000333387202 532977193 /nfs/dbraw/zinc/97/71/93/532977193.db2.gz YKJJVMUFDUEABJ-GFCCVEGCSA-N 0 3 298.387 -1.403 20 0 CAADHN COC(=O)[C@@H]1CNC(=O)CN1C(=O)C1CCN(C)CC1 ZINC000344914975 533017457 /nfs/dbraw/zinc/01/74/57/533017457.db2.gz UJZFEFMJGIPSDM-JTQLQIEISA-N 0 3 283.328 -1.172 20 0 CAADHN COCCNCC(=O)N[C@]1(C(=O)OC)CCOC1 ZINC000430071658 533017505 /nfs/dbraw/zinc/01/75/05/533017505.db2.gz OWYIIQFOJYCTHU-LLVKDONJSA-N 0 3 260.290 -1.329 20 0 CAADHN COCCNCC(=O)N[C@@]1(C(=O)OC)CCOC1 ZINC000430071659 533018187 /nfs/dbraw/zinc/01/81/87/533018187.db2.gz OWYIIQFOJYCTHU-NSHDSACASA-N 0 3 260.290 -1.329 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CCOC[C@H]1C1CC1 ZINC000420183385 533020246 /nfs/dbraw/zinc/02/02/46/533020246.db2.gz LRNVSXZZXSNLJS-LBPRGKRZSA-N 0 3 299.371 -1.024 20 0 CAADHN COCCNCCNC(=O)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000420176968 533020712 /nfs/dbraw/zinc/02/07/12/533020712.db2.gz AURLLNUMOQAWLC-PHIMTYICSA-N 0 3 287.360 -1.026 20 0 CAADHN COCCNCCNC(=O)CN1CCCS1(=O)=O ZINC000262069612 533021200 /nfs/dbraw/zinc/02/12/00/533021200.db2.gz BWHKUGJAZVWHNS-UHFFFAOYSA-N 0 3 279.362 -1.626 20 0 CAADHN COCCNCCNC(=O)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000420186778 533021213 /nfs/dbraw/zinc/02/12/13/533021213.db2.gz QMOUILRMUZMTRD-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN COCCNCCNS(=O)(=O)N(C)CCC(=O)OC ZINC000262779637 533027003 /nfs/dbraw/zinc/02/70/03/533027003.db2.gz OMEYZNAHNNAGBW-UHFFFAOYSA-N 0 3 297.377 -1.448 20 0 CAADHN COCCNCCNC(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC000262684641 533027547 /nfs/dbraw/zinc/02/75/47/533027547.db2.gz XXOFOWOJMWRVNK-NSHDSACASA-N 0 3 287.360 -1.167 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000420179038 285077086 /nfs/dbraw/zinc/07/70/86/285077086.db2.gz FIDYFALXGGGOML-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000420179043 285077181 /nfs/dbraw/zinc/07/71/81/285077181.db2.gz FIDYFALXGGGOML-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN COCCNCC(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000226362208 285074720 /nfs/dbraw/zinc/07/47/20/285074720.db2.gz QTYCSBXRKJFPRA-SECBINFHSA-N 0 3 264.347 -1.132 20 0 CAADHN COCCNCCNC(=O)C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000420186776 285077974 /nfs/dbraw/zinc/07/79/74/285077974.db2.gz QMOUILRMUZMTRD-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CN(C)C(=O)N1CCN(C(=O)COC2CNC2)CC1 ZINC000574806693 335048590 /nfs/dbraw/zinc/04/85/90/335048590.db2.gz LHTIQHNGKNXABG-UHFFFAOYSA-N 0 3 270.333 -1.199 20 0 CAADHN C[C@H](C(=O)N1CCN(C)C[C@@H]1CN)N1CCN(C)CC1 ZINC000574811216 335049131 /nfs/dbraw/zinc/04/91/31/335049131.db2.gz CMQUFXIRMKMTQW-OLZOCXBDSA-N 0 3 283.420 -1.276 20 0 CAADHN C[C@H](C(=O)N1CCN(C)C[C@H]1CN)N1CCN(C)CC1 ZINC000574811210 335049205 /nfs/dbraw/zinc/04/92/05/335049205.db2.gz CMQUFXIRMKMTQW-CHWSQXEVSA-N 0 3 283.420 -1.276 20 0 CAADHN COCCOCCS(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C ZINC000443718315 533090543 /nfs/dbraw/zinc/09/05/43/533090543.db2.gz ORSANELEZRIJCG-NSHDSACASA-N 0 3 298.405 -1.119 20 0 CAADHN C[C@@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)N1CCOCC1 ZINC000574821302 335050447 /nfs/dbraw/zinc/05/04/47/335050447.db2.gz CNLNJKZHKOEHCK-SRVKXCTJSA-N 0 3 271.361 -1.160 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](O)CN1CCOCC1 ZINC000127437768 533114427 /nfs/dbraw/zinc/11/44/27/533114427.db2.gz CPZAHNQNFZBYQD-VXGBXAGGSA-N 0 3 262.350 -1.381 20 0 CAADHN CN(C)C1(C(=O)N[C@@H]2CN(CC(N)=O)C[C@H]2O)CCC1 ZINC001193756978 781976596 /nfs/dbraw/zinc/97/65/96/781976596.db2.gz WSXBABLHXNYGHM-NXEZZACHSA-N 0 3 284.360 -1.883 20 0 CAADHN CCN1CCC[C@@H]1CN(C)C(=O)CNS(=O)(=O)NC ZINC000331318345 285234647 /nfs/dbraw/zinc/23/46/47/285234647.db2.gz KBIRSAFOKKGEQU-SNVBAGLBSA-N 0 3 292.405 -1.017 20 0 CAADHN CN(C)[C@@H](C(=O)N[C@@H]1CN(CCCO)C[C@H]1O)C1CC1 ZINC001193792089 781976863 /nfs/dbraw/zinc/97/68/63/781976863.db2.gz WWLGAUAXIRGTDC-JHJVBQTASA-N 0 3 285.388 -1.130 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001193718582 781977375 /nfs/dbraw/zinc/97/73/75/781977375.db2.gz HFSLBBYHUDZRGU-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN CN(C)[C@H](C(=O)N[C@@H]1CN(CCO)C[C@H]1O)C1CC1 ZINC001193791681 781977514 /nfs/dbraw/zinc/97/75/14/781977514.db2.gz OMXWWTNHYDDEFD-UTUOFQBUSA-N 0 3 271.361 -1.520 20 0 CAADHN CN(CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)C1CCC1 ZINC001193821486 781977820 /nfs/dbraw/zinc/97/78/20/781977820.db2.gz KLMAUOWMIHFTRG-GHMZBOCLSA-N 0 3 284.360 -1.883 20 0 CAADHN CCN1CCC[C@H]1CN(C)C(=O)CNS(=O)(=O)NC ZINC000331318344 285271324 /nfs/dbraw/zinc/27/13/24/285271324.db2.gz KBIRSAFOKKGEQU-JTQLQIEISA-N 0 3 292.405 -1.017 20 0 CAADHN CN(C)[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)C1CC1 ZINC001193781356 781978337 /nfs/dbraw/zinc/97/83/37/781978337.db2.gz LHARUGNFUDWBGA-CKYFFXLPSA-N 0 3 284.360 -2.027 20 0 CAADHN CO[C@@H](CN)C(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000574875126 335054063 /nfs/dbraw/zinc/05/40/63/335054063.db2.gz VAJJQISAVKKKHK-ZJUUUORDSA-N 0 3 293.389 -1.111 20 0 CAADHN CCN1CCN(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000576714375 335238795 /nfs/dbraw/zinc/23/87/95/335238795.db2.gz BKZOAWRVRMWJIL-STQMWFEESA-N 0 3 284.404 -1.243 20 0 CAADHN CCN1CCN(CC(=O)N[C@@H](C)CN(C)C)C(=O)C1=O ZINC000330667552 285313566 /nfs/dbraw/zinc/31/35/66/285313566.db2.gz BPCIBTGFMBXOSC-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CN1CN=NC1=O ZINC000329235440 227371450 /nfs/dbraw/zinc/37/14/50/227371450.db2.gz NMABCQYTKXOGHD-NXEZZACHSA-N 0 3 283.332 -1.103 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001193929627 781979027 /nfs/dbraw/zinc/97/90/27/781979027.db2.gz LCGSANTVGDEKEI-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000575058667 335060402 /nfs/dbraw/zinc/06/04/02/335060402.db2.gz OKDMJEBJXQUASM-QMMMGPOBSA-N 0 3 289.361 -1.448 20 0 CAADHN C[C@H](CN(C)C)NC(=O)NCCN1CCNC(=O)C1 ZINC000355075668 227372334 /nfs/dbraw/zinc/37/23/34/227372334.db2.gz FJFGJKMBPJISSX-SNVBAGLBSA-N 0 3 271.365 -1.333 20 0 CAADHN O=C(CN1CCNCC1=O)NC[C@@H]1CNCCO1 ZINC000521042583 260037270 /nfs/dbraw/zinc/03/72/70/260037270.db2.gz KZDWQGQJQJMEFG-VIFPVBQESA-N 0 3 256.306 -2.477 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001193946778 781981185 /nfs/dbraw/zinc/98/11/85/781981185.db2.gz APKWEZMTRIFZJE-GMTAPVOTSA-N 0 3 299.371 -1.304 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001193954126 781982284 /nfs/dbraw/zinc/98/22/84/781982284.db2.gz QYQHTBXKVVEVKS-GHMZBOCLSA-N 0 3 296.327 -1.006 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CN(CCO)C[C@H]1O)N(C)C ZINC001194103010 781984229 /nfs/dbraw/zinc/98/42/29/781984229.db2.gz SFJIGMQKMIWGTQ-GMTAPVOTSA-N 0 3 259.350 -1.520 20 0 CAADHN CCN(C)C(C)(C)C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001194244855 781985593 /nfs/dbraw/zinc/98/55/93/781985593.db2.gz ZFXNMUZKOXNSLU-NXEZZACHSA-N 0 3 286.376 -1.637 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001194321014 781988168 /nfs/dbraw/zinc/98/81/68/781988168.db2.gz CUEXOBCSHFVDGX-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN CO[C@@H]1CN(CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001194369801 781988815 /nfs/dbraw/zinc/98/88/15/781988815.db2.gz YICUALLDNWURRF-RKDXNWHRSA-N 0 3 257.290 -1.380 20 0 CAADHN COC(=O)[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)OC ZINC000347804574 533283955 /nfs/dbraw/zinc/28/39/55/533283955.db2.gz ADBCJPOSSACKLV-MNOVXSKESA-N 0 3 285.344 -1.320 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)C(C)S(C)(=O)=O ZINC000353506538 533318084 /nfs/dbraw/zinc/31/80/84/533318084.db2.gz LJKLAZITRCBYFR-VIFPVBQESA-N 0 3 294.373 -1.017 20 0 CAADHN CO[C@H]1C[C@@H](NC(=O)C(=O)N(CCN)CCO)C1(C)C ZINC000419187549 533293118 /nfs/dbraw/zinc/29/31/18/533293118.db2.gz IFJLYFSKJZIRAX-ZJUUUORDSA-N 0 3 287.360 -1.304 20 0 CAADHN COCCN(C)CCCNC(=O)CS(=O)(=O)N(C)C ZINC000344781352 533312141 /nfs/dbraw/zinc/31/21/41/533312141.db2.gz JQANYWFENVQNFR-UHFFFAOYSA-N 0 3 295.405 -1.038 20 0 CAADHN COCCN(C)CCCNC(=O)Cn1ncn(C)c1=O ZINC000180405877 533313331 /nfs/dbraw/zinc/31/33/31/533313331.db2.gz XAYQPIISXDIBTG-UHFFFAOYSA-N 0 3 285.348 -1.334 20 0 CAADHN COCCN(C)CCCNC(=O)CN1CCNCC1=O ZINC000430717374 533313654 /nfs/dbraw/zinc/31/36/54/533313654.db2.gz VWRUAOMUQLJMHM-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN COCCN(C)CCNC(=O)CS(=O)(=O)N(C)C ZINC000344836557 533314443 /nfs/dbraw/zinc/31/44/43/533314443.db2.gz XMSMMVOQMSGUES-UHFFFAOYSA-N 0 3 281.378 -1.428 20 0 CAADHN COCCN(C)CCNC(=O)CN1CCOCC1=O ZINC000344400227 533315030 /nfs/dbraw/zinc/31/50/30/533315030.db2.gz KMGVMPFHPSVSBI-UHFFFAOYSA-N 0 3 273.333 -1.460 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]2C[C@@H]2N)C1 ZINC000331955778 533387612 /nfs/dbraw/zinc/38/76/12/533387612.db2.gz KSQAURPRVWEKCJ-HLTSFMKQSA-N 0 3 261.347 -1.126 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H](CN2C[C@@H](O)[C@@H](O)C2)C1 ZINC000093701228 533386127 /nfs/dbraw/zinc/38/61/27/533386127.db2.gz OULHKVOGIYCQRO-GARJFASQSA-N 0 3 278.374 -1.305 20 0 CAADHN CS(=O)(=O)N1CCC[C@H](NC(=O)COC2CNC2)C1 ZINC000430290821 533390582 /nfs/dbraw/zinc/39/05/82/533390582.db2.gz SCFONKUHMAEEOI-VIFPVBQESA-N 0 3 291.373 -1.485 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N[C@H](CN)C2CC2)C[C@H]1OC ZINC000420068052 533448952 /nfs/dbraw/zinc/44/89/52/533448952.db2.gz UBKOJYSHOBYJQH-GMTAPVOTSA-N 0 3 285.344 -1.288 20 0 CAADHN CS(=O)(=O)c1ccc(S(=O)(=O)NCCN)cn1 ZINC000262161585 533453023 /nfs/dbraw/zinc/45/30/23/533453023.db2.gz ZYVFJQVBYBBUQS-UHFFFAOYSA-N 0 3 279.343 -1.278 20 0 CAADHN CS(=O)(=O)NCCNC(=O)C(N)C(F)(F)F ZINC000353180890 533399559 /nfs/dbraw/zinc/39/95/59/533399559.db2.gz LUTCBOPIHHPZHT-BYPYZUCNSA-N 0 3 263.241 -1.459 20 0 CAADHN CS(=O)(=O)NCCNC(=O)[C@H]1C[C@H](F)CN1 ZINC000446323188 533399640 /nfs/dbraw/zinc/39/96/40/533399640.db2.gz GPBXKWBXJKPZPM-NKWVEPMBSA-N 0 3 253.299 -1.648 20 0 CAADHN CS(=O)(=O)NCCN[C@@H](CO)[C@@H]1CCCO1 ZINC000336718673 533400343 /nfs/dbraw/zinc/40/03/43/533400343.db2.gz XXDCAFBFRJPHEX-IUCAKERBSA-N 0 3 252.336 -1.335 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C(=O)COC2CNC2)C1 ZINC000430387641 533416206 /nfs/dbraw/zinc/41/62/06/533416206.db2.gz VQQCWQWAPDHCDP-QMMMGPOBSA-N 0 3 277.346 -1.875 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)N1CCN(c2ccncc2)CC1 ZINC000677947916 545607963 /nfs/dbraw/zinc/60/79/63/545607963.db2.gz CKFLXPJVUHGSOI-NSHDSACASA-N 0 3 293.327 -1.241 20 0 CAADHN CO[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1O ZINC000456381974 533465943 /nfs/dbraw/zinc/46/59/43/533465943.db2.gz VXZXLJXAZJQQNV-IJLUTSLNSA-N 0 3 299.371 -1.385 20 0 CAADHN COC(=O)CN(C)C(=O)CCN(C)[C@H]1COC[C@H]1O ZINC000352813530 533472971 /nfs/dbraw/zinc/47/29/71/533472971.db2.gz DGEFYDQHNTWTOB-VHSXEESVSA-N 0 3 274.317 -1.301 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1C[C@@H](O)C[C@@H]1CO ZINC000352033934 533473530 /nfs/dbraw/zinc/47/35/30/533473530.db2.gz XAIIMUYSIRCWSY-ZJUUUORDSA-N 0 3 274.317 -1.565 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1C[C@@H](O)C[C@H]1CO ZINC000352033932 533473982 /nfs/dbraw/zinc/47/39/82/533473982.db2.gz XAIIMUYSIRCWSY-UWVGGRQHSA-N 0 3 274.317 -1.565 20 0 CAADHN COC(=O)[C@H]1CNC(=O)CN1C(=O)/C=C/CN(C)C ZINC000492668667 533495735 /nfs/dbraw/zinc/49/57/35/533495735.db2.gz CKUYKHAIOWRPLI-XNPJLODASA-N 0 3 269.301 -1.396 20 0 CAADHN C[C@@H](CC(N)=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000358153421 533497739 /nfs/dbraw/zinc/49/77/39/533497739.db2.gz ITKYSAWSFHEAAD-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN COC(=O)CN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000423728288 533509576 /nfs/dbraw/zinc/50/95/76/533509576.db2.gz LIKVOILCRLKAII-UHFFFAOYSA-N 0 3 285.344 -1.318 20 0 CAADHN COC(=O)CNC(=O)CCN(CCO)C[C@@H](C)O ZINC000351939668 533515966 /nfs/dbraw/zinc/51/59/66/533515966.db2.gz WGAYQZBDSYKJDX-SECBINFHSA-N 0 3 262.306 -1.659 20 0 CAADHN COC(=O)CNC(=O)CCN1CCc2n[nH]nc2C1 ZINC000429285935 533516767 /nfs/dbraw/zinc/51/67/67/533516767.db2.gz HZFZFJIXSKFDJK-UHFFFAOYSA-N 0 3 267.289 -1.158 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)/C=C\CN(C)C ZINC000491891618 533614048 /nfs/dbraw/zinc/61/40/48/533614048.db2.gz JOGUHLGXICPQCF-UMCURTJPSA-N 0 3 283.328 -1.006 20 0 CAADHN COC[C@@H](O)CN1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194795421 781994643 /nfs/dbraw/zinc/99/46/43/781994643.db2.gz OBKQDDAUPMROPF-JTQLQIEISA-N 0 3 288.348 -1.804 20 0 CAADHN C[C@H]1CCNC(=O)[C@H]1NCCN1C(=O)CNC1=O ZINC000193568990 533661205 /nfs/dbraw/zinc/66/12/05/533661205.db2.gz RNMCNBOHLBZEFZ-CBAPKCEASA-N 0 3 254.290 -1.348 20 0 CAADHN C[C@@H](O)CN(CCN1C(=O)CNC1=O)[C@H](C)CO ZINC000443336014 533654651 /nfs/dbraw/zinc/65/46/51/533654651.db2.gz QTCIVHMUKGQWDC-RKDXNWHRSA-N 0 3 259.306 -1.398 20 0 CAADHN CC[C@](C)(NC[C@H](O)CN1CCOCC1)C(N)=O ZINC000310827678 288399979 /nfs/dbraw/zinc/39/99/79/288399979.db2.gz FQGHGCZOJXQMRJ-JQWIXIFHSA-N 0 3 259.350 -1.077 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](C)N(C)C)n1 ZINC000341796712 130035236 /nfs/dbraw/zinc/03/52/36/130035236.db2.gz IZTCGLXIJPBKCK-SNVBAGLBSA-N 0 3 297.407 -1.276 20 0 CAADHN C[C@@H](CNC(=O)C1CCN(S(N)(=O)=O)CC1)N(C)C ZINC000341883256 130108322 /nfs/dbraw/zinc/10/83/22/130108322.db2.gz NSEBVXOREMYIFT-VIFPVBQESA-N 0 3 292.405 -1.032 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194802421 781996870 /nfs/dbraw/zinc/99/68/70/781996870.db2.gz GUUHJHPXRFXWCB-VIFPVBQESA-N 0 3 258.322 -1.430 20 0 CAADHN CN(C)CCn1cc(NC(=O)NC[C@@H](O)CO)cn1 ZINC000678660178 545609875 /nfs/dbraw/zinc/60/98/75/545609875.db2.gz WDJHJFSTOSAXFK-SNVBAGLBSA-N 0 3 271.321 -1.081 20 0 CAADHN CN(C)CCN(C)C(=O)NCCc1nnnn1C ZINC000678565291 545610058 /nfs/dbraw/zinc/61/00/58/545610058.db2.gz YFUQEHZJDGBLSM-UHFFFAOYSA-N 0 3 255.326 -1.044 20 0 CAADHN Cn1nnnc1CCNC(=O)NCCNc1ccncc1 ZINC000678563829 545609803 /nfs/dbraw/zinc/60/98/03/545609803.db2.gz JLNLTOJLLYEKKA-UHFFFAOYSA-N 0 3 290.331 -1.019 20 0 CAADHN Cn1cnn(CC(=O)N[C@H]2CCCN(C)C2)c1=O ZINC000679304399 545610897 /nfs/dbraw/zinc/61/08/97/545610897.db2.gz OPQOTDYQROPJPM-VIFPVBQESA-N 0 3 253.306 -1.208 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CCc2nncn2C1 ZINC001152157699 781997785 /nfs/dbraw/zinc/99/77/85/781997785.db2.gz XVLYHESXQRUMCQ-ZJUUUORDSA-N 0 3 292.343 -1.565 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCc2nncn2C1 ZINC001152157697 781998280 /nfs/dbraw/zinc/99/82/80/781998280.db2.gz XVLYHESXQRUMCQ-VHSXEESVSA-N 0 3 292.343 -1.565 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152156555 781998499 /nfs/dbraw/zinc/99/84/99/781998499.db2.gz OCQHTMYZBFRZPJ-VHSXEESVSA-N 0 3 294.359 -1.319 20 0 CAADHN CN1CCC[C@H](NC(=O)NCCN2CCNC(=O)C2)C1 ZINC000679713683 545612009 /nfs/dbraw/zinc/61/20/09/545612009.db2.gz WJZSFWLWLIVTBD-NSHDSACASA-N 0 3 283.376 -1.188 20 0 CAADHN CN(C)CCOCCNC(=O)CN1CCN(C)CC1 ZINC000680320787 545612475 /nfs/dbraw/zinc/61/24/75/545612475.db2.gz WMJOAJYMERUNHO-UHFFFAOYSA-N 0 3 272.393 -1.072 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152157797 781998756 /nfs/dbraw/zinc/99/87/56/781998756.db2.gz ZEQQUBYDLVDANO-SNVBAGLBSA-N 0 3 294.359 -1.318 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152157796 781998883 /nfs/dbraw/zinc/99/88/83/781998883.db2.gz ZEQQUBYDLVDANO-JTQLQIEISA-N 0 3 294.359 -1.318 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCc2nncn2C1 ZINC001152157802 781999206 /nfs/dbraw/zinc/99/92/06/781999206.db2.gz ZFXXIHIGSSKDJH-JTQLQIEISA-N 0 3 294.359 -1.366 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CCc2nncn2C1 ZINC001152157690 781999514 /nfs/dbraw/zinc/99/95/14/781999514.db2.gz XVLYHESXQRUMCQ-NXEZZACHSA-N 0 3 292.343 -1.565 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN)C[C@@H]1OC ZINC000423637226 285753116 /nfs/dbraw/zinc/75/31/16/285753116.db2.gz BXSQYLHGSHXZBU-GARJFASQSA-N 0 3 285.344 -1.192 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CCN(C)C1=O ZINC000681356900 545615799 /nfs/dbraw/zinc/61/57/99/545615799.db2.gz PGBDZFRZTZMAGG-JTQLQIEISA-N 0 3 257.334 -1.105 20 0 CAADHN CN1CCC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000681994615 545616794 /nfs/dbraw/zinc/61/67/94/545616794.db2.gz AWFBUCNYNLPSOO-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CN(C)CC(=O)NC[C@@H](CO)NC(=O)CN(C)C ZINC000682363456 545617783 /nfs/dbraw/zinc/61/77/83/545617783.db2.gz QBXIIFXCKLVRJY-VIFPVBQESA-N 0 3 260.338 -2.297 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCC[C@](O)(CN(C)C)C1 ZINC000684174225 545620574 /nfs/dbraw/zinc/62/05/74/545620574.db2.gz FFTYBTVCXASQCP-NSHDSACASA-N 0 3 293.389 -1.549 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000684174224 545620580 /nfs/dbraw/zinc/62/05/80/545620580.db2.gz FFTYBTVCXASQCP-LLVKDONJSA-N 0 3 293.389 -1.549 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@@](C)(O)CN(C)C ZINC000340296683 292173842 /nfs/dbraw/zinc/17/38/42/292173842.db2.gz DNUDEYLIJLUJBD-GFCCVEGCSA-N 0 3 275.349 -1.480 20 0 CAADHN COCC(=O)N1CCN(C(=O)[C@H](CN)OC)CC1 ZINC000227366383 292177215 /nfs/dbraw/zinc/17/72/15/292177215.db2.gz QMQIWHRIVJKYFC-VIFPVBQESA-N 0 3 259.306 -1.723 20 0 CAADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000668199887 545592141 /nfs/dbraw/zinc/59/21/41/545592141.db2.gz GAFFXMWBBJIZSF-LLVKDONJSA-N 0 3 294.355 -1.359 20 0 CAADHN CC(C)(O)[C@H](O)CN(CCO)CCOCCO ZINC001195021257 782001489 /nfs/dbraw/zinc/00/14/89/782001489.db2.gz GTYMVOUXDFDKQD-SNVBAGLBSA-N 0 3 251.323 -1.579 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001195272604 782001773 /nfs/dbraw/zinc/00/17/73/782001773.db2.gz VQRYQRCFPOCDEB-HBNTYKKESA-N 0 3 285.344 -1.680 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCOC1 ZINC000672282959 545592878 /nfs/dbraw/zinc/59/28/78/545592878.db2.gz CWKWWHZSFNGABO-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001195271396 782003036 /nfs/dbraw/zinc/00/30/36/782003036.db2.gz LSKGYLRAYKHGHI-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001195272603 782003570 /nfs/dbraw/zinc/00/35/70/782003570.db2.gz VQRYQRCFPOCDEB-GMTAPVOTSA-N 0 3 285.344 -1.680 20 0 CAADHN Cn1cc(CCC(=O)NCCN[C@@H]2CCNC2=O)cn1 ZINC001152208147 782006311 /nfs/dbraw/zinc/00/63/11/782006311.db2.gz GEAYSYLJSMESIL-LLVKDONJSA-N 0 3 279.344 -1.053 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001195452426 782007043 /nfs/dbraw/zinc/00/70/43/782007043.db2.gz IITKLSLMKMTIQG-IJLUTSLNSA-N 0 3 299.371 -1.338 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001195561549 782009747 /nfs/dbraw/zinc/00/97/47/782009747.db2.gz RSHPZPFDKSPUGL-IJLUTSLNSA-N 0 3 299.371 -1.195 20 0 CAADHN CS(=O)(=O)NCCN[C@@H](CO)[C@H]1CCCO1 ZINC000336718672 286616342 /nfs/dbraw/zinc/61/63/42/286616342.db2.gz XXDCAFBFRJPHEX-DTWKUNHWSA-N 0 3 252.336 -1.335 20 0 CAADHN CC[C@@H](C(=O)NCCN1CCNC(=O)C1)N(C)C ZINC000358538038 286738853 /nfs/dbraw/zinc/73/88/53/286738853.db2.gz UKBFRAGZJVUBBP-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN CC[C@@H]1C(=O)NCCN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126338118 286981785 /nfs/dbraw/zinc/98/17/85/286981785.db2.gz QMYOURNHSOWAHB-KOLCDFICSA-N 0 3 284.360 -1.177 20 0 CAADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@H](C)[NH3+])cn1C ZINC000647020599 409328620 /nfs/dbraw/zinc/32/86/20/409328620.db2.gz FZDYEQLODRSDTC-ZETCQYMHSA-N 0 3 289.361 -1.530 20 0 CAADHN CC(C)(C)NS(=O)(=O)CC(=O)NC[C@H]1CNCCO1 ZINC000647086570 409330162 /nfs/dbraw/zinc/33/01/62/409330162.db2.gz GFTQBZKPVHMUAA-SECBINFHSA-N 0 3 293.389 -1.191 20 0 CAADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H](C)[NH3+])cn1C ZINC000647020598 409329417 /nfs/dbraw/zinc/32/94/17/409329417.db2.gz FZDYEQLODRSDTC-SSDOTTSWSA-N 0 3 289.361 -1.530 20 0 CAADHN O=C1CNCCN1[C@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000662266753 409319691 /nfs/dbraw/zinc/31/96/91/409319691.db2.gz LYCFEJDROHZWLZ-QWHCGFSZSA-N 0 3 282.388 -1.129 20 0 CAADHN CN(C)CCN1CCN(C(=O)N=c2nc[nH]n2C)CC1=O ZINC000650096786 409319966 /nfs/dbraw/zinc/31/99/66/409319966.db2.gz ZVVLDAWSXHCZFG-UHFFFAOYSA-N 0 3 295.347 -1.525 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)Cn1cnc(C(N)=O)n1 ZINC000650104556 409320271 /nfs/dbraw/zinc/32/02/71/409320271.db2.gz MKZOBDCLQKDQOR-SECBINFHSA-N 0 3 280.332 -1.070 20 0 CAADHN CCN1C(=O)[C@H]2CN(C[C@@H]3CNCCO3)CCN2C1=O ZINC000662259632 409320357 /nfs/dbraw/zinc/32/03/57/409320357.db2.gz ZRMWLZANLXKRRM-WDEREUQCSA-N 0 3 282.344 -1.057 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C[C@@H]3CNCCO3)CCN2C1=O ZINC000662259630 409320412 /nfs/dbraw/zinc/32/04/12/409320412.db2.gz ZRMWLZANLXKRRM-QWRGUYRKSA-N 0 3 282.344 -1.057 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000662256721 409320463 /nfs/dbraw/zinc/32/04/63/409320463.db2.gz YFASFYIMMOIYKR-ZJUUUORDSA-N 0 3 263.363 -1.402 20 0 CAADHN O=C1NC[C@H]2CN(C[C@H]3CCC4(CNC4)O3)CCN2C1=O ZINC000662278760 409321373 /nfs/dbraw/zinc/32/13/73/409321373.db2.gz ABTBQABSGAQHND-WDEREUQCSA-N 0 3 294.355 -1.850 20 0 CAADHN O=C1NC[C@@H]2CN(C[C@H]3CCC4(CNC4)O3)CCN2C1=O ZINC000662278757 409322107 /nfs/dbraw/zinc/32/21/07/409322107.db2.gz ABTBQABSGAQHND-GHMZBOCLSA-N 0 3 294.355 -1.850 20 0 CAADHN CC(C)OC[C@H](N)C(=O)N1CCN(C)C[C@H]1CN ZINC000662429727 409323481 /nfs/dbraw/zinc/32/34/81/409323481.db2.gz SFJUBCCHHMZMGV-MNOVXSKESA-N 0 3 258.366 -1.160 20 0 CAADHN CN1CCN(C(=O)CN2CCN(C3CC3)C2=O)[C@@H](CN)C1 ZINC000662430549 409323635 /nfs/dbraw/zinc/32/36/35/409323635.db2.gz ZUAFMTSYVYEVFV-LBPRGKRZSA-N 0 3 295.387 -1.012 20 0 CAADHN C[N-]S(=O)(=O)c1ccc(C(=O)NCC2C[NH2+]C2)cn1 ZINC000646901843 409324106 /nfs/dbraw/zinc/32/41/06/409324106.db2.gz QBRTVDRNVZELNG-UHFFFAOYSA-N 0 3 284.341 -1.061 20 0 CAADHN CC(C)[C@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)N(C)C ZINC000655233129 409324277 /nfs/dbraw/zinc/32/42/77/409324277.db2.gz RRIPLZSSRRWCKD-GFCCVEGCSA-N 0 3 284.360 -1.271 20 0 CAADHN CN1C[C@H]2CCN(C(=O)CN3CCN(C)C(=O)C3)[C@@H]2C1 ZINC000646917936 409325852 /nfs/dbraw/zinc/32/58/52/409325852.db2.gz KACJDKDPGRNARG-VXGBXAGGSA-N 0 3 280.372 -1.077 20 0 CAADHN CCC[C@@H](C(=O)NC[C@](C)(O)CN(C)C)S(N)(=O)=O ZINC000646940362 409326161 /nfs/dbraw/zinc/32/61/61/409326161.db2.gz DLEFGQUZUPZFGX-ONGXEEELSA-N 0 3 295.405 -1.128 20 0 CAADHN Cn1cnn(CC(=O)N2CC[C@H]3CN(C)C[C@H]32)c1=O ZINC000646938122 409327136 /nfs/dbraw/zinc/32/71/36/409327136.db2.gz ZFSCUGAHASVMPH-VHSXEESVSA-N 0 3 265.317 -1.256 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000646941102 409327441 /nfs/dbraw/zinc/32/74/41/409327441.db2.gz TXFHGPORSIGBRU-MWLCHTKSSA-N 0 3 295.405 -1.257 20 0 CAADHN C[C@@H]1C(=O)N(C)CN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000646972108 409327946 /nfs/dbraw/zinc/32/79/46/409327946.db2.gz JUJBVLGIFQPJHD-SECBINFHSA-N 0 3 282.344 -1.157 20 0 CAADHN C[C@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000647021164 409328134 /nfs/dbraw/zinc/32/81/34/409328134.db2.gz BXHLMBGPLLWGOZ-ZETCQYMHSA-N 0 3 275.334 -1.838 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C ZINC000407996385 409356786 /nfs/dbraw/zinc/35/67/86/409356786.db2.gz LYSWYYVPMTUVCA-VHSXEESVSA-N 0 3 292.405 -1.161 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000408000154 409357583 /nfs/dbraw/zinc/35/75/83/409357583.db2.gz ZPHJTUKKBWPQMZ-ZJUUUORDSA-N 0 3 290.389 -1.265 20 0 CAADHN CN1C[C@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)[C@H]2C1 ZINC000644822686 409399879 /nfs/dbraw/zinc/39/98/79/409399879.db2.gz WHBPLDIMEOFMFD-BDAKNGLRSA-N 0 3 294.311 -1.431 20 0 CAADHN CC(=O)N1CC(OCC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000644429928 409364592 /nfs/dbraw/zinc/36/45/92/409364592.db2.gz WPMWILDPHFEJBN-CYBMUJFWSA-N 0 3 285.344 -1.584 20 0 CAADHN CC(=O)N1CC(OCC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000644429931 409364677 /nfs/dbraw/zinc/36/46/77/409364677.db2.gz WPMWILDPHFEJBN-ZDUSSCGKSA-N 0 3 285.344 -1.584 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC2COCCOC2)C1 ZINC000644463096 409367304 /nfs/dbraw/zinc/36/73/04/409367304.db2.gz SBLZIVLZDMPDIW-LBPRGKRZSA-N 0 3 273.333 -1.232 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CN2CCOCC2)C1=O ZINC000644642141 409369174 /nfs/dbraw/zinc/36/91/74/409369174.db2.gz ATWWSPBYFMPPFZ-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CN2CCOCC2)C1=O ZINC000644642137 409369436 /nfs/dbraw/zinc/36/94/36/409369436.db2.gz ATWWSPBYFMPPFZ-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN NC(=O)c1ncn(CC(=O)NCCN2CCCC2)n1 ZINC000651027816 409369737 /nfs/dbraw/zinc/36/97/37/409369737.db2.gz VOSUYPULIRKIRA-UHFFFAOYSA-N 0 3 266.305 -1.411 20 0 CAADHN C[C@H](NC[C@H](O)CN1CCOCC1)[C@@H]1CN(C)CCO1 ZINC000644602664 409370059 /nfs/dbraw/zinc/37/00/59/409370059.db2.gz JBTQMSWTWYWTKR-IHRRRGAJSA-N 0 3 287.404 -1.012 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CN2CCOCC2)C1=O ZINC000644642139 409370243 /nfs/dbraw/zinc/37/02/43/409370243.db2.gz ATWWSPBYFMPPFZ-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN COCCN(C)CCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651098871 409372675 /nfs/dbraw/zinc/37/26/75/409372675.db2.gz KDZGXEPWDLSXGW-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CCNC(=O)N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000041654035 409375318 /nfs/dbraw/zinc/37/53/18/409375318.db2.gz NYDUGSYDBPMWMJ-UHFFFAOYSA-N 0 3 283.376 -1.235 20 0 CAADHN CCN1CCCN(C(=O)Cn2cnc(C(N)=O)n2)CC1 ZINC000651296683 409375891 /nfs/dbraw/zinc/37/58/91/409375891.db2.gz CGCIZGVSADBBKB-UHFFFAOYSA-N 0 3 280.332 -1.069 20 0 CAADHN CN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CN2CCC1CC2 ZINC000651307428 409376007 /nfs/dbraw/zinc/37/60/07/409376007.db2.gz AOTRRJDQFJZJNE-SNVBAGLBSA-N 0 3 292.343 -1.070 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCC[C@@]2(O)CCOC2)C1 ZINC000651283427 409376048 /nfs/dbraw/zinc/37/60/48/409376048.db2.gz LTSFQVJVOFHOFJ-CHWSQXEVSA-N 0 3 287.360 -1.106 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCC[C@@]2(O)CCOC2)C1 ZINC000651283428 409376507 /nfs/dbraw/zinc/37/65/07/409376507.db2.gz LTSFQVJVOFHOFJ-OLZOCXBDSA-N 0 3 287.360 -1.106 20 0 CAADHN CN(C)CCN1CCN(c2nccn(C)c2=O)CC1=O ZINC000651383198 409377739 /nfs/dbraw/zinc/37/77/39/409377739.db2.gz OLFBIXGUERXCRM-UHFFFAOYSA-N 0 3 279.344 -1.010 20 0 CAADHN CC1(C)CN(C(=O)Cn2cnc(C(N)=O)n2)CCN1 ZINC000651433046 409378049 /nfs/dbraw/zinc/37/80/49/409378049.db2.gz ISIAOSVTBSBNNH-UHFFFAOYSA-N 0 3 266.305 -1.413 20 0 CAADHN CN(C)CCN1CCN(c2cncc(C(N)=O)n2)CC1=O ZINC000651383162 409378099 /nfs/dbraw/zinc/37/80/99/409378099.db2.gz MKGRDCOUNKTART-UHFFFAOYSA-N 0 3 292.343 -1.214 20 0 CAADHN N[C@H](C(=O)N1CCN(S(N)(=O)=O)CC1)C1CCC1 ZINC000399159732 409378532 /nfs/dbraw/zinc/37/85/32/409378532.db2.gz DZCRMJXFXWVMOA-VIFPVBQESA-N 0 3 276.362 -1.539 20 0 CAADHN N[C@@H]1C[C@H]2CN(CC(=O)Nc3ccon3)CCN2C1=O ZINC000594875230 409378591 /nfs/dbraw/zinc/37/85/91/409378591.db2.gz CWYYTFAMDRXQGP-DTWKUNHWSA-N 0 3 279.300 -1.143 20 0 CAADHN COCCCN(C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC000651382731 409378738 /nfs/dbraw/zinc/37/87/38/409378738.db2.gz STXIVGDXMJFKDX-UHFFFAOYSA-N 0 3 298.347 -1.539 20 0 CAADHN C[C@@H]1CCN(CCNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000651422289 409379236 /nfs/dbraw/zinc/37/92/36/409379236.db2.gz UEZCWNKHQIFUMH-SECBINFHSA-N 0 3 280.332 -1.165 20 0 CAADHN NC(=O)[C@@]1(NC(=O)[C@H]2CNCCC2(F)F)CCOC1 ZINC000655502884 409382985 /nfs/dbraw/zinc/38/29/85/409382985.db2.gz BANLVOXFEOIBGI-GMSGAONNSA-N 0 3 277.271 -1.008 20 0 CAADHN C[C@H](N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000195144371 409383124 /nfs/dbraw/zinc/38/31/24/409383124.db2.gz IWSZAWMRYMUJED-NSHDSACASA-N 0 3 284.360 -1.663 20 0 CAADHN NC[C@@H](NC(=O)CN1CCNCC1=O)C(F)(F)F ZINC000655505315 409383288 /nfs/dbraw/zinc/38/32/88/409383288.db2.gz WGVBDKIEGVBHHQ-ZCFIWIBFSA-N 0 3 268.239 -1.576 20 0 CAADHN CS(=O)(=O)NCCC(=O)N[C@H](CN)C(F)(F)F ZINC000655508109 409383318 /nfs/dbraw/zinc/38/33/18/409383318.db2.gz BJIDOWCHRFRPBZ-RXMQYKEDSA-N 0 3 277.268 -1.069 20 0 CAADHN NC(=O)[C@]1(NC(=O)[C@@H]2CNCCC2(F)F)CCOC1 ZINC000655502887 409383340 /nfs/dbraw/zinc/38/33/40/409383340.db2.gz BANLVOXFEOIBGI-XVKPBYJWSA-N 0 3 277.271 -1.008 20 0 CAADHN Cn1nccc1[C@H]1COCCN1C(=O)C(=O)NCCN ZINC000652693891 409383520 /nfs/dbraw/zinc/38/35/20/409383520.db2.gz ICNLRSPXQGDDQF-SNVBAGLBSA-N 0 3 281.316 -1.605 20 0 CAADHN CC1(OCC(=O)NCC(=O)N2CCNCC2)CNC1 ZINC000647689522 409383933 /nfs/dbraw/zinc/38/39/33/409383933.db2.gz OKNUNZWCJLQTID-UHFFFAOYSA-N 0 3 270.333 -2.087 20 0 CAADHN CC(C)[C@@H](C(=O)N1CCN(S(N)(=O)=O)CC1)N(C)C ZINC000110684749 409384389 /nfs/dbraw/zinc/38/43/89/409384389.db2.gz SOHSCOZETYULMZ-JTQLQIEISA-N 0 3 292.405 -1.080 20 0 CAADHN CC[C@H]1C(=O)NCCN1C(=O)CN1CCNCC1 ZINC000110689984 409384649 /nfs/dbraw/zinc/38/46/49/409384649.db2.gz QQTBDVMDHAOEBL-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN CCOC(=O)Cn1cnc(NC(=O)NCCN(C)C)n1 ZINC000425705953 409386186 /nfs/dbraw/zinc/38/61/86/409386186.db2.gz WQWNFDZMKYVNLW-UHFFFAOYSA-N 0 3 284.320 -0.476 20 0 CAADHN CN(C)CCOCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651667831 409387604 /nfs/dbraw/zinc/38/76/04/409387604.db2.gz SXFNBTCNLCEEQE-VIFPVBQESA-N 0 3 279.362 -1.628 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651757459 409388763 /nfs/dbraw/zinc/38/87/63/409388763.db2.gz UDRQSASRWRXOTD-UHFFFAOYSA-N 0 3 280.332 -1.070 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651754931 409388886 /nfs/dbraw/zinc/38/88/86/409388886.db2.gz TZLPWEIHOAPXCD-SECBINFHSA-N 0 3 279.362 -1.892 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651754932 409389361 /nfs/dbraw/zinc/38/93/61/409389361.db2.gz TZLPWEIHOAPXCD-VIFPVBQESA-N 0 3 279.362 -1.892 20 0 CAADHN CCCNC(=O)CCNC(=O)CN1CCNCC1 ZINC000045088629 409389718 /nfs/dbraw/zinc/38/97/18/409389718.db2.gz GYLFAYFERBAPPQ-UHFFFAOYSA-N 0 3 256.350 -1.076 20 0 CAADHN CNS(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651793557 409389912 /nfs/dbraw/zinc/38/99/12/409389912.db2.gz ZPHBXUCVMASUFH-UHFFFAOYSA-N 0 3 264.351 -1.844 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000595945677 409390076 /nfs/dbraw/zinc/39/00/76/409390076.db2.gz WEOUOVVBBSGVGL-SNVBAGLBSA-N 0 3 283.332 -0.726 20 0 CAADHN CCN(CC)S(=O)(=O)CC(=O)N[C@H](CO)CN(C)C ZINC000647710012 409390657 /nfs/dbraw/zinc/39/06/57/409390657.db2.gz HGTONJFWIONCIB-JTQLQIEISA-N 0 3 295.405 -1.303 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)N[C@H](CO)CN(C)C ZINC000647710229 409391875 /nfs/dbraw/zinc/39/18/75/409391875.db2.gz UUXQMISKHSFSAU-NEPJUHHUSA-N 0 3 273.377 -1.007 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cc(C(N)=O)cn1C ZINC000647710897 409391886 /nfs/dbraw/zinc/39/18/86/409391886.db2.gz UAXYPCMZDWHSJI-VIFPVBQESA-N 0 3 268.317 -1.224 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)N[C@H](CO)CN(C)C ZINC000647710231 409392430 /nfs/dbraw/zinc/39/24/30/409392430.db2.gz UUXQMISKHSFSAU-RYUDHWBXSA-N 0 3 273.377 -1.007 20 0 CAADHN CN(C)C1(CNC(=O)Cn2cnc(C(N)=O)n2)CCC1 ZINC000651850545 409392459 /nfs/dbraw/zinc/39/24/59/409392459.db2.gz YSQQRYPDEUFISV-UHFFFAOYSA-N 0 3 280.332 -1.023 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N[C@@H](CN)C(F)(F)F ZINC000655514537 409393427 /nfs/dbraw/zinc/39/34/27/409393427.db2.gz FSSVEDCKMOBOTM-YFKPBYRVSA-N 0 3 277.268 -1.116 20 0 CAADHN CN1CCN(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)[C@H](CN)C1 ZINC000652230320 409393811 /nfs/dbraw/zinc/39/38/11/409393811.db2.gz CUKBQRAIWQGRAL-KXUCPTDWSA-N 0 3 269.349 -1.465 20 0 CAADHN NC(=O)[C@H]1C[C@@H](NC(=O)N2CCOC3(CNC3)C2)C1 ZINC000652230473 409394193 /nfs/dbraw/zinc/39/41/93/409394193.db2.gz LXELPHSOIAMEQB-DTORHVGOSA-N 0 3 268.317 -1.366 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H]2C1 ZINC000652323540 409394210 /nfs/dbraw/zinc/39/42/10/409394210.db2.gz JQXXEZHOTKAMEM-LPEHRKFASA-N 0 3 273.358 -1.159 20 0 CAADHN O=C(NCCN1CCCC1=O)N1CCOC2(CNC2)C1 ZINC000652245704 409394609 /nfs/dbraw/zinc/39/46/09/409394609.db2.gz CGUXERBZDQAAER-UHFFFAOYSA-N 0 3 282.344 -1.007 20 0 CAADHN NC[C@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C(F)(F)F ZINC000655519247 409394649 /nfs/dbraw/zinc/39/46/49/409394649.db2.gz QTCAHYWYMUHMQS-WHFBIAKZSA-N 0 3 275.252 -1.316 20 0 CAADHN CC(C)(CNC(=O)CN1CCNCC1)NS(C)(=O)=O ZINC000111735755 409395102 /nfs/dbraw/zinc/39/51/02/409395102.db2.gz STYBSPZCFNVERE-UHFFFAOYSA-N 0 3 292.405 -1.664 20 0 CAADHN CC(CO)(CO)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000652350107 409396198 /nfs/dbraw/zinc/39/61/98/409396198.db2.gz GJDSCORQOSGEKL-NSHDSACASA-N 0 3 271.361 -1.517 20 0 CAADHN O=S(=O)(NC[C@H]1CNCCO1)N1CCCOCC1 ZINC000652371761 409396837 /nfs/dbraw/zinc/39/68/37/409396837.db2.gz BMAYTIOTZGXKHK-SNVBAGLBSA-N 0 3 279.362 -1.469 20 0 CAADHN CC(CO)(CO)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000652350106 409397085 /nfs/dbraw/zinc/39/70/85/409397085.db2.gz GJDSCORQOSGEKL-LLVKDONJSA-N 0 3 271.361 -1.517 20 0 CAADHN O=S(=O)(NC[C@@H]1CNCCO1)N1CCCOCC1 ZINC000652371760 409397611 /nfs/dbraw/zinc/39/76/11/409397611.db2.gz BMAYTIOTZGXKHK-JTQLQIEISA-N 0 3 279.362 -1.469 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000653135914 409331788 /nfs/dbraw/zinc/33/17/88/409331788.db2.gz UUNLIJRDTQOZIQ-YIZRAAEISA-N 0 3 261.347 -1.113 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655295975 409332087 /nfs/dbraw/zinc/33/20/87/409332087.db2.gz JVQARIGWGKJAHI-YNEHKIRRSA-N 0 3 283.372 -1.016 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H](N)C(C)C ZINC000662641348 409332238 /nfs/dbraw/zinc/33/22/38/409332238.db2.gz XWQFIIFDIYPIHK-IWSPIJDZSA-N 0 3 264.347 -1.102 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(N)C(F)(F)F ZINC000662636751 409332281 /nfs/dbraw/zinc/33/22/81/409332281.db2.gz AKHURRWCJOWWJV-PBXRRBTRSA-N 0 3 290.263 -1.196 20 0 CAADHN CN1CC[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1=O ZINC000655296532 409332609 /nfs/dbraw/zinc/33/26/09/409332609.db2.gz ZZPJOBCARBIIPC-HBNTYKKESA-N 0 3 267.329 -1.258 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](C)CN1 ZINC000653128639 409332645 /nfs/dbraw/zinc/33/26/45/409332645.db2.gz PIXONBKYNQWPRY-HLTSFMKQSA-N 0 3 261.347 -1.113 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNCC1CC1 ZINC000662637294 409332654 /nfs/dbraw/zinc/33/26/54/409332654.db2.gz DBJUKHMBFSXZJZ-VHSXEESVSA-N 0 3 276.358 -1.086 20 0 CAADHN CN1CCO[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655296303 409333110 /nfs/dbraw/zinc/33/31/10/409333110.db2.gz KIUXHQXRCABLSO-TUAOUCFPSA-N 0 3 269.345 -1.406 20 0 CAADHN CCN1CCN(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000655296379 409333149 /nfs/dbraw/zinc/33/31/49/409333149.db2.gz MLOSPQOBCZZZED-UONOGXRCSA-N 0 3 296.415 -1.099 20 0 CAADHN Cn1cnn(CCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c1=O ZINC000655293817 409333548 /nfs/dbraw/zinc/33/35/48/409333548.db2.gz BJIRDRAYQHQKQK-WDEREUQCSA-N 0 3 295.343 -1.751 20 0 CAADHN Cc1nn(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(=O)n1C ZINC000655293587 409333730 /nfs/dbraw/zinc/33/37/30/409333730.db2.gz QUBXLMSIKWDEFG-WDEREUQCSA-N 0 3 295.343 -1.832 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655295953 409333863 /nfs/dbraw/zinc/33/38/63/409333863.db2.gz RGWLSQXBYWEILS-NWDGAFQWSA-N 0 3 267.329 -1.258 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CNCCO1 ZINC000662660918 409333936 /nfs/dbraw/zinc/33/39/36/409333936.db2.gz ZUEXMKHMOHRITI-NSHDSACASA-N 0 3 286.376 -1.547 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H](N)C(C)C ZINC000662641345 409333944 /nfs/dbraw/zinc/33/39/44/409333944.db2.gz XWQFIIFDIYPIHK-DJLDLDEBSA-N 0 3 264.347 -1.102 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655295599 409334019 /nfs/dbraw/zinc/33/40/19/409334019.db2.gz KSGOSLLDDKETAI-HBNTYKKESA-N 0 3 267.329 -1.115 20 0 CAADHN Cn1cc(CCNC(=O)CN2CCNCC2)cn1 ZINC000128132545 409334861 /nfs/dbraw/zinc/33/48/61/409334861.db2.gz ZEKJMXQZPMZULM-UHFFFAOYSA-N 0 3 251.334 -1.016 20 0 CAADHN O=C(NC[C@@H]1C[C@H](F)CN1)[C@@H]1CCS(=O)(=O)N1 ZINC000653142727 409335195 /nfs/dbraw/zinc/33/51/95/409335195.db2.gz UZBRSTXLHJWOBY-FXQIFTODSA-N 0 3 265.310 -1.506 20 0 CAADHN NC(=O)C1(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCC1 ZINC000655299228 409336201 /nfs/dbraw/zinc/33/62/01/409336201.db2.gz XCJNUSGDAIQGON-VHSXEESVSA-N 0 3 267.329 -1.081 20 0 CAADHN CN1CCC[C@@H](N2CCN(C(=O)C3(O)CNC3)CC2)C1 ZINC000662757127 409336354 /nfs/dbraw/zinc/33/63/54/409336354.db2.gz KRKYRQFEASGQNX-GFCCVEGCSA-N 0 3 282.388 -1.441 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000662955224 409337145 /nfs/dbraw/zinc/33/71/45/409337145.db2.gz YYEIXMMUHZEWHI-VXGBXAGGSA-N 0 3 298.387 -1.275 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000662955218 409337210 /nfs/dbraw/zinc/33/72/10/409337210.db2.gz YYEIXMMUHZEWHI-NWDGAFQWSA-N 0 3 298.387 -1.275 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2COCCN2C)CC1=O ZINC000650310252 409337372 /nfs/dbraw/zinc/33/73/72/409337372.db2.gz UQWUJXFZENMEHK-LBPRGKRZSA-N 0 3 298.387 -1.451 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2COCCO2)CC1=O ZINC000650303272 409337412 /nfs/dbraw/zinc/33/74/12/409337412.db2.gz UBMFSWCUQDTQEN-LLVKDONJSA-N 0 3 285.344 -1.366 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N(C)C[C@H]1COCCO1 ZINC000662953018 409337562 /nfs/dbraw/zinc/33/75/62/409337562.db2.gz JOANJCHSXQCHBZ-UWVGGRQHSA-N 0 3 273.333 -1.334 20 0 CAADHN COCCOCC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650301598 409337623 /nfs/dbraw/zinc/33/76/23/409337623.db2.gz YWGVZZVLOSTKKG-UHFFFAOYSA-N 0 3 287.360 -1.118 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2COCCN2C)CC1=O ZINC000650310251 409337664 /nfs/dbraw/zinc/33/76/64/409337664.db2.gz UQWUJXFZENMEHK-GFCCVEGCSA-N 0 3 298.387 -1.451 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650300729 409337712 /nfs/dbraw/zinc/33/77/12/409337712.db2.gz OBMMKRCAKMHNLP-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000662960530 409338006 /nfs/dbraw/zinc/33/80/06/409338006.db2.gz RVTXTEALZVHJTQ-LLVKDONJSA-N 0 3 284.360 -1.663 20 0 CAADHN CN(C[C@H]1COCCO1)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000662948930 409338032 /nfs/dbraw/zinc/33/80/32/409338032.db2.gz PWWSWSVBVQQVBM-MNOVXSKESA-N 0 3 285.344 -1.190 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2cn(C)nn2)CC1=O ZINC000650308246 409338052 /nfs/dbraw/zinc/33/80/52/409338052.db2.gz DTLKZQPRPJPEOO-UHFFFAOYSA-N 0 3 280.332 -1.339 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000662954311 409338062 /nfs/dbraw/zinc/33/80/62/409338062.db2.gz RSAQPFIRVMXCKW-QWRGUYRKSA-N 0 3 294.359 -1.068 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000662955216 409338072 /nfs/dbraw/zinc/33/80/72/409338072.db2.gz YYEIXMMUHZEWHI-NEPJUHHUSA-N 0 3 298.387 -1.275 20 0 CAADHN CC(=O)NCC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650302894 409338333 /nfs/dbraw/zinc/33/83/33/409338333.db2.gz DGOSRCMZDSBPPT-UHFFFAOYSA-N 0 3 270.333 -1.645 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CC(=O)N(C)C2)CC1=O ZINC000650302845 409338407 /nfs/dbraw/zinc/33/84/07/409338407.db2.gz AZVFYGRICLMXSB-NSHDSACASA-N 0 3 296.371 -1.303 20 0 CAADHN CCCNC(=O)CN(C)C(=O)CN1CCNCC1 ZINC000036946272 409342003 /nfs/dbraw/zinc/34/20/03/409342003.db2.gz LMENEBVPXUVVMA-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN COCCN1CCN(C(=O)COC2(C)CNC2)CC1=O ZINC000648169669 409342222 /nfs/dbraw/zinc/34/22/22/409342222.db2.gz IMGPPWQQIYLNPA-UHFFFAOYSA-N 0 3 285.344 -1.318 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000237449665 409343153 /nfs/dbraw/zinc/34/31/53/409343153.db2.gz VFYHVFWPGRJKFD-LLVKDONJSA-N 0 3 284.360 -1.663 20 0 CAADHN COCCNCCNC(=O)Cn1nc(C)n(C)c1=O ZINC000655451073 409343578 /nfs/dbraw/zinc/34/35/78/409343578.db2.gz ARJNAOIBHQQNSR-UHFFFAOYSA-N 0 3 271.321 -1.758 20 0 CAADHN CNC(=O)CN1CCN(C(=O)CN2CCNCC2)CC1 ZINC000037800983 409343705 /nfs/dbraw/zinc/34/37/05/409343705.db2.gz AACMFALUEPVSTO-UHFFFAOYSA-N 0 3 283.376 -2.218 20 0 CAADHN NC1(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000237892767 409343778 /nfs/dbraw/zinc/34/37/78/409343778.db2.gz BBUYYLKOANGTSG-UHFFFAOYSA-N 0 3 296.371 -1.519 20 0 CAADHN NCC(=O)NCC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000037799610 409343804 /nfs/dbraw/zinc/34/38/04/409343804.db2.gz HERVXCCEVLUUEP-LLVKDONJSA-N 0 3 284.360 -1.616 20 0 CAADHN O=C(NCCN1CCS(=O)(=O)CC1)[C@H]1CCCCN1 ZINC000238094009 409344133 /nfs/dbraw/zinc/34/41/33/409344133.db2.gz CCARTWKOXKVDOY-LLVKDONJSA-N 0 3 289.401 -1.025 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)CN2CCNCC2)CC1 ZINC000037806210 409344532 /nfs/dbraw/zinc/34/45/32/409344532.db2.gz RYMDMPMYEUIADV-UHFFFAOYSA-N 0 3 297.403 -1.828 20 0 CAADHN O=C(CNC(=O)CN1CCNCC1)NCC1CC1 ZINC000393012658 409344681 /nfs/dbraw/zinc/34/46/81/409344681.db2.gz GQAPIJDWPKJYEE-UHFFFAOYSA-N 0 3 254.334 -1.466 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1CN(C)CCO1 ZINC000153466173 409345009 /nfs/dbraw/zinc/34/50/09/409345009.db2.gz IISQYPRLRPSEIU-ZYHUDNBSSA-N 0 3 259.350 -1.254 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)CN1CCNCC1 ZINC000037811705 409345064 /nfs/dbraw/zinc/34/50/64/409345064.db2.gz VBUDCMWFMPPXIT-UHFFFAOYSA-N 0 3 286.376 -1.545 20 0 CAADHN COCC(=O)N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000037814590 409345418 /nfs/dbraw/zinc/34/54/18/409345418.db2.gz LRISQQQTQCEYES-UHFFFAOYSA-N 0 3 284.360 -1.791 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)CN1CCNCC1 ZINC000037824404 409345498 /nfs/dbraw/zinc/34/54/98/409345498.db2.gz OTHIIFVHTLZKMI-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN NCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000237950107 409345590 /nfs/dbraw/zinc/34/55/90/409345590.db2.gz LUXFHHOYIKOLEX-UHFFFAOYSA-N 0 3 254.334 -1.288 20 0 CAADHN CN(C)C[C@@H]1CN(C(=O)Cn2cn[nH]c2=O)CCO1 ZINC000153704730 409345632 /nfs/dbraw/zinc/34/56/32/409345632.db2.gz ARAXSPGCCSITBE-SECBINFHSA-N 0 3 269.305 -1.640 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000237449002 409345705 /nfs/dbraw/zinc/34/57/05/409345705.db2.gz IWSZAWMRYMUJED-LLVKDONJSA-N 0 3 284.360 -1.663 20 0 CAADHN CC(=O)NCCN(C)C(=O)CN1CCCC[C@H](N)C1=O ZINC000648201721 409348373 /nfs/dbraw/zinc/34/83/73/409348373.db2.gz GLAHWBRSBNCHKW-NSHDSACASA-N 0 3 284.360 -1.079 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000644142401 409349380 /nfs/dbraw/zinc/34/93/80/409349380.db2.gz RIRWELNIIJXGPE-IUCAKERBSA-N 0 3 261.297 -1.093 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N2CCNCC2(C)C)C1=O ZINC000644075002 409349578 /nfs/dbraw/zinc/34/95/78/409349578.db2.gz OPBVZJWIQDHQBM-UHFFFAOYSA-N 0 3 282.300 -1.383 20 0 CAADHN COC[C@H](CNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1)OC ZINC000664630719 409350058 /nfs/dbraw/zinc/35/00/58/409350058.db2.gz UOTHJLRWHHQBDM-DCAQKATOSA-N 0 3 275.349 -1.036 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC(NC(=O)C2CC2)C1 ZINC000570699151 409350426 /nfs/dbraw/zinc/35/04/26/409350426.db2.gz CPWAHEUYLHIBHG-UHFFFAOYSA-N 0 3 266.301 -2.189 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CNCCO1 ZINC000644161570 409350496 /nfs/dbraw/zinc/35/04/96/409350496.db2.gz XMQWVFBPIQQQCR-NXEZZACHSA-N 0 3 291.373 -1.485 20 0 CAADHN CN(Cc1ccccc1)C[C@@H](O)CN[C@@H](CO)C(N)=O ZINC000647522914 409351583 /nfs/dbraw/zinc/35/15/83/409351583.db2.gz WHTMNJVPOBGYGC-STQMWFEESA-N 0 3 281.356 -1.085 20 0 CAADHN C[C@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664816719 409351848 /nfs/dbraw/zinc/35/18/48/409351848.db2.gz DSCZRFGMNQADGC-RCWTZXSCSA-N 0 3 284.360 -1.030 20 0 CAADHN CC(=O)NCCN(C)C(=O)C(=O)N(C)CCN(C)C ZINC000647555625 409352316 /nfs/dbraw/zinc/35/23/16/409352316.db2.gz NQJUHPPAMBOSIZ-UHFFFAOYSA-N 0 3 272.349 -1.399 20 0 CAADHN C[C@H]1C(=O)N(C)CN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000647571347 409352339 /nfs/dbraw/zinc/35/23/39/409352339.db2.gz JVPFNGQJAANZLE-GARJFASQSA-N 0 3 294.355 -1.205 20 0 CAADHN O=C1C[C@H](NCCn2cccn2)C(=O)N1CCOCCO ZINC000653283417 409352450 /nfs/dbraw/zinc/35/24/50/409352450.db2.gz CLYMPHPVBIWORH-NSHDSACASA-N 0 3 296.327 -1.391 20 0 CAADHN O=C1C[C@@H](NCCn2cccn2)C(=O)N1CCOCCO ZINC000653283416 409353592 /nfs/dbraw/zinc/35/35/92/409353592.db2.gz CLYMPHPVBIWORH-LLVKDONJSA-N 0 3 296.327 -1.391 20 0 CAADHN COCCOCCN1C(=O)C[C@@H](N[C@H](C)CO)C1=O ZINC000653285693 409354332 /nfs/dbraw/zinc/35/43/32/409354332.db2.gz VXYKWAZFEIKTNE-NXEZZACHSA-N 0 3 274.317 -1.253 20 0 CAADHN COCCOCCN1C(=O)C[C@@H](N[C@@H](C)CO)C1=O ZINC000653285695 409354508 /nfs/dbraw/zinc/35/45/08/409354508.db2.gz VXYKWAZFEIKTNE-VHSXEESVSA-N 0 3 274.317 -1.253 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000407996383 409356274 /nfs/dbraw/zinc/35/62/74/409356274.db2.gz LYSWYYVPMTUVCA-UWVGGRQHSA-N 0 3 292.405 -1.161 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C ZINC000407996377 409356290 /nfs/dbraw/zinc/35/62/90/409356290.db2.gz LYSWYYVPMTUVCA-NXEZZACHSA-N 0 3 292.405 -1.161 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCCNCC1 ZINC000647614893 409356304 /nfs/dbraw/zinc/35/63/04/409356304.db2.gz QDRHVDKEAOLNRA-GFCCVEGCSA-N 0 3 296.371 -1.065 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000407996387 409356412 /nfs/dbraw/zinc/35/64/12/409356412.db2.gz LYSWYYVPMTUVCA-ZJUUUORDSA-N 0 3 292.405 -1.161 20 0 CAADHN CC1(OCC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)CNC1 ZINC000648102355 409458524 /nfs/dbraw/zinc/45/85/24/409458524.db2.gz RFESNTGTCZXGNY-RKDXNWHRSA-N 0 3 271.317 -1.486 20 0 CAADHN CC1(OCC(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)CNC1 ZINC000648102354 409458846 /nfs/dbraw/zinc/45/88/46/409458846.db2.gz RFESNTGTCZXGNY-IUCAKERBSA-N 0 3 271.317 -1.486 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000353425324 409459025 /nfs/dbraw/zinc/45/90/25/409459025.db2.gz HCCYIKVEMTYEDG-GMTAPVOTSA-N 0 3 259.350 -1.126 20 0 CAADHN CCN1C(=O)[C@H]2CN(C(=O)C3(N)CC3)CCN2C1=O ZINC000648100610 409459105 /nfs/dbraw/zinc/45/91/05/409459105.db2.gz HTIIPDNAKFOXGT-MRVPVSSYSA-N 0 3 266.301 -1.027 20 0 CAADHN C[C@@H]1CN(CCCNC(=O)[C@@H](N)CC(N)=O)C[C@@H](C)O1 ZINC000353045148 409459119 /nfs/dbraw/zinc/45/91/19/409459119.db2.gz RNEUQPDMWVFVRD-MXWKQRLJSA-N 0 3 286.376 -1.195 20 0 CAADHN COC(=O)COCC(=O)NC[C@@](C)(O)CN(C)C ZINC000355188382 409402755 /nfs/dbraw/zinc/40/27/55/409402755.db2.gz SUCMSAXFGHQUKB-LLVKDONJSA-N 0 3 262.306 -1.395 20 0 CAADHN CN(CCCS(N)(=O)=O)C[C@@H](O)CN1CCOCC1 ZINC000336802448 409402779 /nfs/dbraw/zinc/40/27/79/409402779.db2.gz UNQUUYBSFCTBRQ-LLVKDONJSA-N 0 3 295.405 -1.710 20 0 CAADHN CCNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336804432 409402793 /nfs/dbraw/zinc/40/27/93/409402793.db2.gz BVVYKDKNJQCYIT-WCBMZHEXSA-N 0 3 272.349 -1.273 20 0 CAADHN CN(C[C@@H](O)CN1CC[C@H](S(N)(=O)=O)C1)C1CC1 ZINC000336791405 409402933 /nfs/dbraw/zinc/40/29/33/409402933.db2.gz NJMHEAWFVLVLBI-MNOVXSKESA-N 0 3 277.390 -1.196 20 0 CAADHN CC(C)[C@@H](N)C(=O)NCC(=O)NCC(C)(C)C(N)=O ZINC000336810074 409403670 /nfs/dbraw/zinc/40/36/70/409403670.db2.gz YBSHTRIREFVYFB-SECBINFHSA-N 0 3 272.349 -1.286 20 0 CAADHN CCNC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336804431 409404076 /nfs/dbraw/zinc/40/40/76/409404076.db2.gz BVVYKDKNJQCYIT-PSASIEDQSA-N 0 3 272.349 -1.273 20 0 CAADHN CN(C[C@H](O)CN1CC[C@@H](S(N)(=O)=O)C1)C1CC1 ZINC000336791407 409404142 /nfs/dbraw/zinc/40/41/42/409404142.db2.gz NJMHEAWFVLVLBI-WDEREUQCSA-N 0 3 277.390 -1.196 20 0 CAADHN COCCOCCNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336805095 409404306 /nfs/dbraw/zinc/40/43/06/409404306.db2.gz RXBYDAIEELZMCJ-LLVKDONJSA-N 0 3 275.349 -1.135 20 0 CAADHN COCCN(C)CCNC(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000366008823 409406162 /nfs/dbraw/zinc/40/61/62/409406162.db2.gz UJSYBCGJLGRWIF-NSHDSACASA-N 0 3 299.375 -1.016 20 0 CAADHN CNCCN(C)S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000354125200 409460057 /nfs/dbraw/zinc/46/00/57/409460057.db2.gz CJGLGSJSMIURRK-MRVPVSSYSA-N 0 3 251.352 -1.056 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)[C@@H]1NCC1(C)C ZINC000645134194 409408116 /nfs/dbraw/zinc/40/81/16/409408116.db2.gz ADTPOEBPYNCFIH-NSHDSACASA-N 0 3 268.361 -1.125 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCC(Cn2cnnc2)CC1 ZINC000652697641 409408254 /nfs/dbraw/zinc/40/82/54/409408254.db2.gz KBKMVSISMCYWTA-UHFFFAOYSA-N 0 3 292.343 -1.395 20 0 CAADHN CN(CCN1CC[NH2+]CC1)C(=O)CN1CC(=O)[N-]C1=O ZINC000647776794 409408825 /nfs/dbraw/zinc/40/88/25/409408825.db2.gz VUJDZTVJQSHULN-UHFFFAOYSA-N 0 3 283.332 -2.098 20 0 CAADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCNC(=O)C2)C1 ZINC000411031700 409408924 /nfs/dbraw/zinc/40/89/24/409408924.db2.gz TUCSXKPXDAFUSW-NSHDSACASA-N 0 3 296.371 -1.114 20 0 CAADHN Cn1nccc1[C@H]1COCCN1C(=O)C(=O)NC1CNC1 ZINC000652698216 409410308 /nfs/dbraw/zinc/41/03/08/409410308.db2.gz YVXIIWIHIJAIPF-LLVKDONJSA-N 0 3 293.327 -1.592 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](F)[C@H](N)C2)C1=O ZINC000659390202 409411621 /nfs/dbraw/zinc/41/16/21/409411621.db2.gz YLFSJFVNBKPXJX-RNFRBKRXSA-N 0 3 286.263 -1.695 20 0 CAADHN CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)[C@H](CN)C1 ZINC000652709425 409411776 /nfs/dbraw/zinc/41/17/76/409411776.db2.gz RIHBQOBPMRHDID-KKOKHZNYSA-N 0 3 296.371 -1.476 20 0 CAADHN CN1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cnnn1 ZINC000647821402 409411817 /nfs/dbraw/zinc/41/18/17/409411817.db2.gz GXXAYRNAYXKOQE-QWRGUYRKSA-N 0 3 280.332 -1.005 20 0 CAADHN CCN1C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)CN)CC1=O ZINC000652716157 409411961 /nfs/dbraw/zinc/41/19/61/409411961.db2.gz SXLBNSCACJIHRZ-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cn1cnnn1 ZINC000647821403 409412813 /nfs/dbraw/zinc/41/28/13/409412813.db2.gz GXXAYRNAYXKOQE-WDEREUQCSA-N 0 3 280.332 -1.005 20 0 CAADHN CCN1C[C@@H](CNC(=O)C(=O)N(C)[C@H](C)CN)CC1=O ZINC000652716156 409412822 /nfs/dbraw/zinc/41/28/22/409412822.db2.gz SXLBNSCACJIHRZ-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCN1C[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2CN)CC1=O ZINC000652715006 409413007 /nfs/dbraw/zinc/41/30/07/409413007.db2.gz XLRGJJIIJFKKRI-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N2CC[C@@H](F)[C@H](N)C2)c1=O ZINC000659391372 409413095 /nfs/dbraw/zinc/41/30/95/409413095.db2.gz USFWNPBBGDFCKI-RKDXNWHRSA-N 0 3 284.291 -1.555 20 0 CAADHN CN1CC[C@H](C(=O)N2CCN(C)C[C@@H]2CN)S1(=O)=O ZINC000647874162 409414552 /nfs/dbraw/zinc/41/45/52/409414552.db2.gz ATGPDKPTSLZWNE-VHSXEESVSA-N 0 3 290.389 -1.878 20 0 CAADHN Cn1c2ncn(CCN3CC[C@H](O)C3)c2c(=O)n(C)c1=O ZINC000305252557 409460363 /nfs/dbraw/zinc/46/03/63/409460363.db2.gz LJCWBABDKZDKGB-VIFPVBQESA-N 0 3 293.327 -1.500 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2nccnc2N)CC1=O ZINC000652735565 409417584 /nfs/dbraw/zinc/41/75/84/409417584.db2.gz NNGHXRYRMDTDMG-UHFFFAOYSA-N 0 3 292.343 -1.095 20 0 CAADHN CN(C)CCN1CCN(C(=O)CNC(=O)C2CC2)CC1=O ZINC000652735122 409418615 /nfs/dbraw/zinc/41/86/15/409418615.db2.gz CAUGFQWKZJYJBZ-UHFFFAOYSA-N 0 3 296.371 -1.255 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CCC(=O)N2)CC1=O ZINC000652735172 409418742 /nfs/dbraw/zinc/41/87/42/409418742.db2.gz DOWZVXOACJBSQP-SNVBAGLBSA-N 0 3 282.344 -1.503 20 0 CAADHN CCNC(=O)CC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652734616 409418832 /nfs/dbraw/zinc/41/88/32/409418832.db2.gz QIDYMJJEWUUYLO-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2nc[nH]n2)CC1=O ZINC000652734438 409418874 /nfs/dbraw/zinc/41/88/74/409418874.db2.gz KJWCJVVNERTRRC-UHFFFAOYSA-N 0 3 266.305 -1.349 20 0 CAADHN COCCNCCNC(=O)NC[C@@H](C)S(C)(=O)=O ZINC000659527266 409418933 /nfs/dbraw/zinc/41/89/33/409418933.db2.gz KIUFXJTZAUORPO-SECBINFHSA-N 0 3 281.378 -1.045 20 0 CAADHN CN(CCc1cn[nH]n1)C[C@H](O)CN1CCOCC1 ZINC000647966248 409419794 /nfs/dbraw/zinc/41/97/94/409419794.db2.gz HVNVSOODFRGRQY-LBPRGKRZSA-N 0 3 269.349 -1.028 20 0 CAADHN CC(C(=O)N(C)[C@@H]1COC[C@@H]1O)S(C)(=O)=O ZINC000342348188 409420122 /nfs/dbraw/zinc/42/01/22/409420122.db2.gz SJRYWTAXZIVJGE-PRJMDXOYSA-N 0 3 251.304 -1.362 20 0 CAADHN CC(C)(C)[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000040469152 409420330 /nfs/dbraw/zinc/42/03/30/409420330.db2.gz ZGPJULRWGRHBAK-MRVPVSSYSA-N 0 3 278.378 -1.293 20 0 CAADHN CN1CCN(C(=O)NC[C@H]2CNCCO2)CCC1=O ZINC000659556564 409422292 /nfs/dbraw/zinc/42/22/92/409422292.db2.gz ZGRNTGHABSSMHL-SNVBAGLBSA-N 0 3 270.333 -1.152 20 0 CAADHN COC[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000652782512 409422640 /nfs/dbraw/zinc/42/26/40/409422640.db2.gz LNBYRGSTMODIGX-XQQFMLRXSA-N 0 3 283.372 -1.016 20 0 CAADHN CN1CCN(C(=O)NC[C@@H]2CNCCO2)CCC1=O ZINC000659556563 409423445 /nfs/dbraw/zinc/42/34/45/409423445.db2.gz ZGRNTGHABSSMHL-JTQLQIEISA-N 0 3 270.333 -1.152 20 0 CAADHN CN(CCCNC(=O)COC1(C)CNC1)S(C)(=O)=O ZINC000647982790 409423888 /nfs/dbraw/zinc/42/38/88/409423888.db2.gz JIEPFUSGDVBDPC-UHFFFAOYSA-N 0 3 293.389 -1.237 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CC(=O)N(C)C2)C[C@@H]1O ZINC000647996116 409427849 /nfs/dbraw/zinc/42/78/49/409427849.db2.gz QDCQVFAICYKSIJ-GUBZILKMSA-N 0 3 270.333 -1.467 20 0 CAADHN CN(C)CCOCCNC(=O)CCn1ncn(C)c1=O ZINC000345602945 409429251 /nfs/dbraw/zinc/42/92/51/409429251.db2.gz LDLGHYPPCANKAM-UHFFFAOYSA-N 0 3 285.348 -1.334 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCc2nnc[nH]2)CC1=O ZINC000345736232 409429930 /nfs/dbraw/zinc/42/99/30/409429930.db2.gz QIBHQRILAAGYBV-SNVBAGLBSA-N 0 3 294.359 -1.127 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC(=O)N(C)C2)CC1=O ZINC000345763348 409430995 /nfs/dbraw/zinc/43/09/95/409430995.db2.gz IZQGRODQDCCRDH-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(=O)N(C)C ZINC000345761605 409431245 /nfs/dbraw/zinc/43/12/45/409431245.db2.gz GGWNMGQKUSAHFM-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@H](O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000345946156 409432213 /nfs/dbraw/zinc/43/22/13/409432213.db2.gz VDYKGRZCHKBNQF-VIFPVBQESA-N 0 3 283.332 -1.120 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NCCNc1ccncc1 ZINC000345883434 409433684 /nfs/dbraw/zinc/43/36/84/409433684.db2.gz KFUQAJLXBKPPCQ-UHFFFAOYSA-N 0 3 286.357 -1.077 20 0 CAADHN C[C@@H](CO)N1CCCN(CCNS(C)(=O)=O)CC1 ZINC000346671924 409435466 /nfs/dbraw/zinc/43/54/66/409435466.db2.gz HTURJVBDDJYIPU-NSHDSACASA-N 0 3 279.406 -1.076 20 0 CAADHN CN1CC[C@](O)(CNC(=O)[C@H]2COCCN2C)C1 ZINC000346430550 409436215 /nfs/dbraw/zinc/43/62/15/409436215.db2.gz DHDBGBNFKVJITN-PWSUYJOCSA-N 0 3 257.334 -1.500 20 0 CAADHN CNC(=O)[C@H](C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000346820926 409436544 /nfs/dbraw/zinc/43/65/44/409436544.db2.gz IXSXTXYLWAPXJE-UWVGGRQHSA-N 0 3 254.334 -1.373 20 0 CAADHN CNC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000346811903 409437365 /nfs/dbraw/zinc/43/73/65/409437365.db2.gz SQZZLXGGRKBBFN-UWVGGRQHSA-N 0 3 284.360 -1.353 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)[C@H]2COCCN2C)C1 ZINC000346430551 409437451 /nfs/dbraw/zinc/43/74/51/409437451.db2.gz DHDBGBNFKVJITN-ZYHUDNBSSA-N 0 3 257.334 -1.500 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC(CO)C2)CC1=O ZINC000346805446 409437554 /nfs/dbraw/zinc/43/75/54/409437554.db2.gz PDKJSPOJNDTZKK-LLVKDONJSA-N 0 3 269.345 -1.153 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCNc1ccncc1 ZINC000348895984 409439062 /nfs/dbraw/zinc/43/90/62/409439062.db2.gz UNQTZRAEHCTNEH-UHFFFAOYSA-N 0 3 293.327 -1.716 20 0 CAADHN C[C@@H](NC(=O)CCOC1CNC1)C(=O)N1CCOCC1 ZINC000349059628 409441506 /nfs/dbraw/zinc/44/15/06/409441506.db2.gz SPQFTOPUSKKZSW-SNVBAGLBSA-N 0 3 285.344 -1.272 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCOC2CNC2)C1 ZINC000349023129 409441649 /nfs/dbraw/zinc/44/16/49/409441649.db2.gz BBNAHFKOPQVZIA-SECBINFHSA-N 0 3 291.373 -1.485 20 0 CAADHN CC(C)(C(N)=O)N1CCN(C(=O)CCOC2CNC2)CC1 ZINC000348991964 409441852 /nfs/dbraw/zinc/44/18/52/409441852.db2.gz OJVIZOJQYYNVBH-UHFFFAOYSA-N 0 3 298.387 -1.227 20 0 CAADHN O=C(CCOC1CNC1)NCCN1CCCS1(=O)=O ZINC000349024477 409441892 /nfs/dbraw/zinc/44/18/92/409441892.db2.gz FGIRIBQKQSRLQA-UHFFFAOYSA-N 0 3 291.373 -1.483 20 0 CAADHN COC(=O)C[C@H](NC(=O)CCOC1CNC1)C(=O)OC ZINC000348988575 409442035 /nfs/dbraw/zinc/44/20/35/409442035.db2.gz BDCAPIXTDKSYJR-VIFPVBQESA-N 0 3 288.300 -1.414 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCc2nc[nH]n2)CC1=O ZINC000349486452 409442250 /nfs/dbraw/zinc/44/22/50/409442250.db2.gz JWUGAWJGNXSRNX-SECBINFHSA-N 0 3 280.332 -1.169 20 0 CAADHN COC(=O)[C@@]1(NC(=O)CCOC2CNC2)CCOC1 ZINC000349004357 409442387 /nfs/dbraw/zinc/44/23/87/409442387.db2.gz RPIOTUJFDUGLAW-GFCCVEGCSA-N 0 3 272.301 -1.187 20 0 CAADHN CN(CC(=O)N1CCOCC1)C(=O)CCOC1CNC1 ZINC000348987149 409442561 /nfs/dbraw/zinc/44/25/61/409442561.db2.gz FAQREJQIKJZLBC-UHFFFAOYSA-N 0 3 285.344 -1.318 20 0 CAADHN CC(=O)NC[C@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000349059920 409442616 /nfs/dbraw/zinc/44/26/16/409442616.db2.gz VDQLKKJPGBVTMW-LBPRGKRZSA-N 0 3 285.344 -1.272 20 0 CAADHN CC(C)NS(=O)(=O)CCNC(=O)CCOC1CNC1 ZINC000348993031 409443103 /nfs/dbraw/zinc/44/31/03/409443103.db2.gz QCFAQYAIEOUORR-UHFFFAOYSA-N 0 3 293.389 -1.191 20 0 CAADHN NC(=O)[C@H]1CCCN1CCCNC(=O)CCOC1CNC1 ZINC000349006193 409443290 /nfs/dbraw/zinc/44/32/90/409443290.db2.gz TYAYACJWDQVGSE-GFCCVEGCSA-N 0 3 298.387 -1.179 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCc2nc[nH]n2)CC1=O ZINC000349486453 409443482 /nfs/dbraw/zinc/44/34/82/409443482.db2.gz JWUGAWJGNXSRNX-VIFPVBQESA-N 0 3 280.332 -1.169 20 0 CAADHN COCCNCCNC(=O)CN(C)S(C)(=O)=O ZINC000349210747 409443558 /nfs/dbraw/zinc/44/35/58/409443558.db2.gz UQIULKHTHFEBHQ-UHFFFAOYSA-N 0 3 267.351 -1.770 20 0 CAADHN O=C(CCOC1CNC1)NCCNC(=O)c1cnccn1 ZINC000349045620 409443676 /nfs/dbraw/zinc/44/36/76/409443676.db2.gz FIXKDPVOISFYKV-UHFFFAOYSA-N 0 3 293.327 -1.299 20 0 CAADHN CCC[C@@H](NC(C)C)C(=O)NC(C(N)=O)C(N)=O ZINC000350017732 409444314 /nfs/dbraw/zinc/44/43/14/409444314.db2.gz CZOVTOXLQDPAID-SSDOTTSWSA-N 0 3 258.322 -1.392 20 0 CAADHN CCC[C@H](NC(C)C)C(=O)NC(C(N)=O)C(N)=O ZINC000350017735 409444547 /nfs/dbraw/zinc/44/45/47/409444547.db2.gz CZOVTOXLQDPAID-ZETCQYMHSA-N 0 3 258.322 -1.392 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@@]2(CO)CCOC2)CC1=O ZINC000349558486 409445445 /nfs/dbraw/zinc/44/54/45/409445445.db2.gz VYKCHCKGBMZLLX-BXUZGUMPSA-N 0 3 299.371 -1.336 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@@H]2NCC2(C)C)CC1 ZINC000645476748 409445674 /nfs/dbraw/zinc/44/56/74/409445674.db2.gz OZXDJEMBCFTCCP-NSHDSACASA-N 0 3 268.361 -1.125 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@H]2CNCCC2(F)F)CCO1 ZINC000648048417 409446273 /nfs/dbraw/zinc/44/62/73/409446273.db2.gz BPQVIPDUVPHCGH-SFYZADRCSA-N 0 3 277.271 -1.056 20 0 CAADHN CN(C)C1(CNC(=O)C(=O)N2CCN(C)C(=O)C2)CCC1 ZINC000519832853 409446414 /nfs/dbraw/zinc/44/64/14/409446414.db2.gz XQJYVANMRJEGPA-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN O=C(CNC(=O)[C@H]1C[C@@H](O)CN1)NC1CCCC1 ZINC000648043897 409447679 /nfs/dbraw/zinc/44/76/79/409447679.db2.gz KSMBHLWSTVMYMJ-NXEZZACHSA-N 0 3 255.318 -1.116 20 0 CAADHN C[C@@]1(F)CNCCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000519605231 409447799 /nfs/dbraw/zinc/44/77/99/409447799.db2.gz HPDAFPGVWAEQRQ-GFCCVEGCSA-N 0 3 272.324 -1.422 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CCO1 ZINC000648048418 409447839 /nfs/dbraw/zinc/44/78/39/409447839.db2.gz BPQVIPDUVPHCGH-YUMQZZPRSA-N 0 3 277.271 -1.056 20 0 CAADHN COCCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000519765025 409448176 /nfs/dbraw/zinc/44/81/76/409448176.db2.gz BVAZRWRHFLONFJ-VHSXEESVSA-N 0 3 298.343 -2.091 20 0 CAADHN CN(C[C@@H](O)CN1CCN(C(=O)CO)CC1)C1CC1 ZINC000351720282 409449906 /nfs/dbraw/zinc/44/99/06/409449906.db2.gz SWRFNHFNJIQXLA-GFCCVEGCSA-N 0 3 271.361 -1.422 20 0 CAADHN CCNC(=O)NCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000351807488 409449996 /nfs/dbraw/zinc/44/99/96/409449996.db2.gz JMTWTSXIKASMDQ-LLVKDONJSA-N 0 3 283.376 -1.188 20 0 CAADHN CCNC(=O)NCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000351807493 409450702 /nfs/dbraw/zinc/45/07/02/409450702.db2.gz JMTWTSXIKASMDQ-NSHDSACASA-N 0 3 283.376 -1.188 20 0 CAADHN CCNC(=O)N1CC[C@H](NC(=O)[C@H](CN)OC)C1 ZINC000352997643 409455397 /nfs/dbraw/zinc/45/53/97/409455397.db2.gz AVPIIJAMRKBTEJ-IUCAKERBSA-N 0 3 258.322 -1.120 20 0 CAADHN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)COCCN ZINC000648087997 409455620 /nfs/dbraw/zinc/45/56/20/409455620.db2.gz HATBQNHWSMIFDN-RKDXNWHRSA-N 0 3 264.347 -1.004 20 0 CAADHN CC[C@H](NC(=O)[C@H](CN)OC)C(=O)N1CCOCC1 ZINC000353005970 409455712 /nfs/dbraw/zinc/45/57/12/409455712.db2.gz WQCSXWBHMYQDDM-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN CO[C@H](CN)C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000352923289 409456135 /nfs/dbraw/zinc/45/61/35/409456135.db2.gz SKNICXOCRLPZLT-GHMZBOCLSA-N 0 3 287.360 -1.040 20 0 CAADHN CC[C@@H](NC(=O)[C@@H](CN)OC)C(=O)N1CCOCC1 ZINC000353005969 409456445 /nfs/dbraw/zinc/45/64/45/409456445.db2.gz WQCSXWBHMYQDDM-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CC[C@@H](NC(=O)[C@H](CN)OC)C(=O)N1CCOCC1 ZINC000353005972 409456607 /nfs/dbraw/zinc/45/66/07/409456607.db2.gz WQCSXWBHMYQDDM-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN CO[C@H](CN)C(=O)N[C@H](C(=O)N1CCOCC1)C(C)C ZINC000352923290 409456925 /nfs/dbraw/zinc/45/69/25/409456925.db2.gz SKNICXOCRLPZLT-MNOVXSKESA-N 0 3 287.360 -1.040 20 0 CAADHN NC(=O)NC(=O)CCNC(=O)C(N)C(F)(F)F ZINC000353010792 409457492 /nfs/dbraw/zinc/45/74/92/409457492.db2.gz JOOYBLUJMLKHKB-BYPYZUCNSA-N 0 3 256.184 -1.423 20 0 CAADHN COCCNC(=O)CNC(=O)C(N)C(F)(F)F ZINC000352913271 409457738 /nfs/dbraw/zinc/45/77/38/409457738.db2.gz LFVJSKWBUKVRGY-ZCFIWIBFSA-N 0 3 257.212 -1.245 20 0 CAADHN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H](CN)OC)C1 ZINC000352997644 409457835 /nfs/dbraw/zinc/45/78/35/409457835.db2.gz AVPIIJAMRKBTEJ-RKDXNWHRSA-N 0 3 258.322 -1.120 20 0 CAADHN CCNC(=O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000367167822 409458356 /nfs/dbraw/zinc/45/83/56/409458356.db2.gz JEPBACRJHJOUTQ-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN Cn1cc(CNC(=O)C(=O)N2CC3CC2(CN)C3)cn1 ZINC000659677292 409467162 /nfs/dbraw/zinc/46/71/62/409467162.db2.gz BSSCQFKBDITPRM-UHFFFAOYSA-N 0 3 277.328 -1.014 20 0 CAADHN CN(C)CC(=O)N1CCN(CCCC(=O)NC(N)=O)CC1 ZINC000355756591 409464917 /nfs/dbraw/zinc/46/49/17/409464917.db2.gz XDICHWUFUVQDNX-UHFFFAOYSA-N 0 3 299.375 -1.333 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@](C)(O)CO)CC1=O ZINC000355287801 409464987 /nfs/dbraw/zinc/46/49/87/409464987.db2.gz ZBYGZWQCPXSFHZ-GWCFXTLKSA-N 0 3 287.360 -1.744 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)NCCO[C@H]1CC1(F)F ZINC000659716511 409471550 /nfs/dbraw/zinc/47/15/50/409471550.db2.gz AQCQABXZCGDGOY-RQJHMYQMSA-N 0 3 265.260 -1.010 20 0 CAADHN CC(C)(C)N1C[C@H](CNC(=O)C(=O)NC2CNC2)CC1=O ZINC000659715500 409471570 /nfs/dbraw/zinc/47/15/70/409471570.db2.gz VUFZQAUJBBPAFN-VIFPVBQESA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)[C@@H]1CCCC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC000184801030 409471636 /nfs/dbraw/zinc/47/16/36/409471636.db2.gz DUVVRNSVFLNKQQ-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN CN(C)[C@H]1CN(CCN2CCCS2(=O)=O)C[C@@H]1O ZINC000653686084 409474405 /nfs/dbraw/zinc/47/44/05/409474405.db2.gz MZZIITYRNPYJLD-QWRGUYRKSA-N 0 3 277.390 -1.371 20 0 CAADHN CC1(C)CNCCN1C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000653053836 409472814 /nfs/dbraw/zinc/47/28/14/409472814.db2.gz MZQWPAJIVSHLFM-QMMMGPOBSA-N 0 3 261.347 -1.112 20 0 CAADHN CCN1CC[C@@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC000653035435 409472909 /nfs/dbraw/zinc/47/29/09/409472909.db2.gz TXYNKFTWYFAORM-MRVPVSSYSA-N 0 3 264.351 -1.749 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000659725252 409474506 /nfs/dbraw/zinc/47/45/06/409474506.db2.gz ZCMLOSIIZKCGQM-NEPJUHHUSA-N 0 3 299.371 -1.167 20 0 CAADHN CN(C)[C@H]1CN(C[C@@H](O)CN2CCOCC2)C[C@@H]1O ZINC000653687639 409473778 /nfs/dbraw/zinc/47/37/78/409473778.db2.gz JHRKSVIXEJFTNH-AVGNSLFASA-N 0 3 273.377 -1.714 20 0 CAADHN CCNC(=O)CN(C)C[C@@H](O)CN(C)CCOC ZINC000653499012 409473879 /nfs/dbraw/zinc/47/38/79/409473879.db2.gz WZDBZVPYAOKUSX-NSHDSACASA-N 0 3 261.366 -1.007 20 0 CAADHN CN(C)[C@H]1CN(CCCS(N)(=O)=O)C[C@@H]1O ZINC000653687306 409473989 /nfs/dbraw/zinc/47/39/89/409473989.db2.gz ZCTHMBHFBMKNFN-IUCAKERBSA-N 0 3 251.352 -1.728 20 0 CAADHN CN(C)[C@H]1CN(CCCS(=O)(=O)N(C)C)C[C@@H]1O ZINC000653687207 409474665 /nfs/dbraw/zinc/47/46/65/409474665.db2.gz KSKGDZGANRLSCN-QWRGUYRKSA-N 0 3 279.406 -1.125 20 0 CAADHN CN(C[C@H]1COCCO1)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000659718155 409471491 /nfs/dbraw/zinc/47/14/91/409471491.db2.gz ODZQCWPNHOQQSP-QWRGUYRKSA-N 0 3 285.344 -1.286 20 0 CAADHN CC(C)[C@H]1CN(C(=O)C(=O)NCCN)CCN1C ZINC000419841918 409476203 /nfs/dbraw/zinc/47/62/03/409476203.db2.gz VBMQWYDZOFERQR-SNVBAGLBSA-N 0 3 256.350 -1.140 20 0 CAADHN C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)[C@H]1CN ZINC000418798182 409477329 /nfs/dbraw/zinc/47/73/29/409477329.db2.gz GXKJHTKNNHRYGV-MXWKQRLJSA-N 0 3 296.371 -1.081 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H](CN)C1 ZINC000515350820 409478572 /nfs/dbraw/zinc/47/85/72/409478572.db2.gz DSILMRXEJNNNBS-NXEZZACHSA-N 0 3 254.334 -1.386 20 0 CAADHN COCCNCC(=O)NCCNc1cnccn1 ZINC000430759408 409479060 /nfs/dbraw/zinc/47/90/60/409479060.db2.gz GIEZCNNZMHIMGG-UHFFFAOYSA-N 0 3 253.306 -0.759 20 0 CAADHN COCCN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000514789996 409479515 /nfs/dbraw/zinc/47/95/15/409479515.db2.gz XJPOMEFSQKFULU-RYUDHWBXSA-N 0 3 298.387 -1.417 20 0 CAADHN CN(C)[C@H]1CN(C[C@H](O)CN2CCCC2=O)C[C@@H]1O ZINC000653687134 409474820 /nfs/dbraw/zinc/47/48/20/409474820.db2.gz ADHCKUYMFSIZHX-SRVKXCTJSA-N 0 3 271.361 -1.424 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC[C@H](NC(N)=O)C1 ZINC000653594202 409474877 /nfs/dbraw/zinc/47/48/77/409474877.db2.gz CULVNCQYEWGJJC-QWRGUYRKSA-N 0 3 274.365 -1.332 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000659725260 409475221 /nfs/dbraw/zinc/47/52/21/409475221.db2.gz ZCMLOSIIZKCGQM-NWDGAFQWSA-N 0 3 299.371 -1.167 20 0 CAADHN CN1CCN(C(=O)CCn2ccnn2)[C@H](CN)C1 ZINC000122645965 409475399 /nfs/dbraw/zinc/47/53/99/409475399.db2.gz LBIWVBDTCHYGSR-SNVBAGLBSA-N 0 3 252.322 -1.231 20 0 CAADHN CN1CCC[C@@H](NC(=O)CN2CCNCC2=O)C1 ZINC000645685257 409475471 /nfs/dbraw/zinc/47/54/71/409475471.db2.gz XZJGRXNWORGRTF-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN CO[C@@H]1COC[C@H]1NC[C@@H](O)CN1CCOCC1 ZINC000646042031 409483002 /nfs/dbraw/zinc/48/30/02/409483002.db2.gz IYTPGCYLMHMSOZ-IJLUTSLNSA-N 0 3 260.334 -1.317 20 0 CAADHN CN(C)C[C@@]1(O)CCCN(C(=O)CN2CCOCC2=O)C1 ZINC000646023499 409484548 /nfs/dbraw/zinc/48/45/48/409484548.db2.gz WVYWHFFRCVRTMU-AWEZNQCLSA-N 0 3 299.371 -1.240 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNC(C)C ZINC000659340834 409485180 /nfs/dbraw/zinc/48/51/80/409485180.db2.gz BAXNZGGVIVHHJO-BDAKNGLRSA-N 0 3 264.347 -1.087 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000646208944 409485206 /nfs/dbraw/zinc/48/52/06/409485206.db2.gz OOPPGOKGSNZWSJ-SECBINFHSA-N 0 3 284.316 -2.414 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@H](CO)CN1CCCC1 ZINC000646221290 409485389 /nfs/dbraw/zinc/48/53/89/409485389.db2.gz DEAOGYGSQUDJCF-NSHDSACASA-N 0 3 285.344 -1.582 20 0 CAADHN COC1CCN(CCNC(=O)CN2CCNCC2=O)CC1 ZINC000646180930 409485604 /nfs/dbraw/zinc/48/56/04/409485604.db2.gz LERVCLJYQFPQDZ-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN Cn1cc(C(=O)N[C@H](CO)CN2CCCC2)c(=O)[nH]c1=O ZINC000646224121 409485817 /nfs/dbraw/zinc/48/58/17/409485817.db2.gz OPEDTNBEZFGANO-VIFPVBQESA-N 0 3 296.327 -1.328 20 0 CAADHN CCN1C(=O)[C@H]2CN(C(=O)[C@H](C)N)CCN2C1=O ZINC000646181451 409486141 /nfs/dbraw/zinc/48/61/41/409486141.db2.gz NXXZAVMIDMTSEB-JGVFFNPUSA-N 0 3 254.290 -1.172 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1COCCO1 ZINC000646224375 409486175 /nfs/dbraw/zinc/48/61/75/409486175.db2.gz SZOBSDZLWMRCGU-GHMZBOCLSA-N 0 3 258.318 -1.025 20 0 CAADHN COCCNCC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000659343363 409486188 /nfs/dbraw/zinc/48/61/88/409486188.db2.gz WJFQLYXAIYFAIM-IUCAKERBSA-N 0 3 280.346 -1.849 20 0 CAADHN Cn1cc(C(=O)N[C@@H](CO)CN2CCCC2)c(=O)[nH]c1=O ZINC000646224120 409486274 /nfs/dbraw/zinc/48/62/74/409486274.db2.gz OPEDTNBEZFGANO-SECBINFHSA-N 0 3 296.327 -1.328 20 0 CAADHN Cc1nnc(CN(C)CC(=O)N[C@H](CO)CN(C)C)n1C ZINC000646211824 409486376 /nfs/dbraw/zinc/48/63/76/409486376.db2.gz BIGBDBDXPVZFQC-NSHDSACASA-N 0 3 298.391 -1.406 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000646208945 409486412 /nfs/dbraw/zinc/48/64/12/409486412.db2.gz OOPPGOKGSNZWSJ-VIFPVBQESA-N 0 3 284.316 -2.414 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)Cn1ccccc1=O ZINC000646208657 409486629 /nfs/dbraw/zinc/48/66/29/409486629.db2.gz DRLNSSZZSHFLBF-JTQLQIEISA-N 0 3 253.302 -1.113 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1COCCO1 ZINC000646224378 409487443 /nfs/dbraw/zinc/48/74/43/409487443.db2.gz SZOBSDZLWMRCGU-WDEREUQCSA-N 0 3 258.318 -1.025 20 0 CAADHN CC1(C)CN[C@H]1C(=O)N1CC[C@@H](S(N)(=O)=O)C1 ZINC000646254543 409487888 /nfs/dbraw/zinc/48/78/88/409487888.db2.gz YQRQTNQVCLCWSS-SFYZADRCSA-N 0 3 261.347 -1.126 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@@H]1O ZINC000646307141 409488272 /nfs/dbraw/zinc/48/82/72/409488272.db2.gz IOGYZINVQIHPKQ-GUBZILKMSA-N 0 3 255.318 -1.260 20 0 CAADHN O[C@@H](Cn1cccn1)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000653825616 409495032 /nfs/dbraw/zinc/49/50/32/409495032.db2.gz CJHQHQRDLOVQEM-YNEHKIRRSA-N 0 3 266.345 -1.005 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000646801539 409495049 /nfs/dbraw/zinc/49/50/49/409495049.db2.gz ZWNMYWXGCCMMMH-QMMMGPOBSA-N 0 3 293.331 -1.226 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC2COCCOC2)CC1=O ZINC000646800020 409495093 /nfs/dbraw/zinc/49/50/93/409495093.db2.gz RVITYKDQIAJMEC-NSHDSACASA-N 0 3 299.371 -1.072 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CCN(C)C[C@H]1CN ZINC000646835327 409495306 /nfs/dbraw/zinc/49/53/06/409495306.db2.gz CSHAVYWQAKOSRI-ZJUUUORDSA-N 0 3 254.334 -1.292 20 0 CAADHN C[C@@H]1NC(=O)N(CCN2CCN3C[C@H](O)C[C@H]3C2)C1=O ZINC000653828996 409495403 /nfs/dbraw/zinc/49/54/03/409495403.db2.gz PKCHLKQBRZTGRT-GARJFASQSA-N 0 3 282.344 -1.323 20 0 CAADHN CCOCCNC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000653826816 409495479 /nfs/dbraw/zinc/49/54/79/409495479.db2.gz LFBMEMWGWDCNEC-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCN(C(=O)CN2CCNCC2=O)[C@@H](CN)C1 ZINC000646833193 409495556 /nfs/dbraw/zinc/49/55/56/409495556.db2.gz OUFVXQFOQBWBPT-JTQLQIEISA-N 0 3 269.349 -2.481 20 0 CAADHN CN(C)[C@@H]1CCCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC000646796270 409495679 /nfs/dbraw/zinc/49/56/79/409495679.db2.gz TYHCJQPJEHJPBY-FDYHWXHSSA-N 0 3 284.356 -1.048 20 0 CAADHN CCN(CCNC(=O)CNS(=O)(=O)N(C)C)C1CC1 ZINC000646793602 409496179 /nfs/dbraw/zinc/49/61/79/409496179.db2.gz JYNMJZNNSIGLGV-UHFFFAOYSA-N 0 3 292.405 -1.017 20 0 CAADHN O=C(NC1COCCOC1)[C@H]1CN2CCN1CCC2 ZINC000646802013 409496196 /nfs/dbraw/zinc/49/61/96/409496196.db2.gz XJCSXCKCTUVWEU-GFCCVEGCSA-N 0 3 269.345 -1.092 20 0 CAADHN COCCOC[C@@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000653829050 409496608 /nfs/dbraw/zinc/49/66/08/409496608.db2.gz TWRCXGKFARSPLQ-XQQFMLRXSA-N 0 3 274.361 -1.239 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC000646610835 409489444 /nfs/dbraw/zinc/48/94/44/409489444.db2.gz RSTFLXGDLWAZCL-JTQLQIEISA-N 0 3 292.405 -1.017 20 0 CAADHN CN1CCN(C(=O)c2c[nH]c(C(N)=O)c2)[C@@H](CN)C1 ZINC000646836265 409497349 /nfs/dbraw/zinc/49/73/49/409497349.db2.gz AYMHGEBHIUGAJL-VIFPVBQESA-N 0 3 265.317 -1.172 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000646523532 409490016 /nfs/dbraw/zinc/49/00/16/409490016.db2.gz QHRGZMCISDUTAK-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CC(C)(C(N)=O)C1 ZINC000653775377 409490138 /nfs/dbraw/zinc/49/01/38/409490138.db2.gz ZULCAISIRDQWKA-SNVBAGLBSA-N 0 3 259.350 -1.267 20 0 CAADHN CC1(OCC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CNC1 ZINC000400241725 409490582 /nfs/dbraw/zinc/49/05/82/409490582.db2.gz KEWQSBNBDGNATC-SECBINFHSA-N 0 3 291.373 -1.485 20 0 CAADHN CN(C)CCNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000646578551 409491061 /nfs/dbraw/zinc/49/10/61/409491061.db2.gz KAIZWTAMSOFPPJ-SECBINFHSA-N 0 3 278.378 -1.420 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC000646610836 409491163 /nfs/dbraw/zinc/49/11/63/409491163.db2.gz RSTFLXGDLWAZCL-SNVBAGLBSA-N 0 3 292.405 -1.017 20 0 CAADHN O=C(NC1COCCOC1)[C@@H]1CN2CCN1CCC2 ZINC000646802014 409494367 /nfs/dbraw/zinc/49/43/67/409494367.db2.gz XJCSXCKCTUVWEU-LBPRGKRZSA-N 0 3 269.345 -1.092 20 0 CAADHN CN(C)[C@@H]1CCCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC000646796064 409494392 /nfs/dbraw/zinc/49/43/92/409494392.db2.gz JGHQJASOSKOEJL-SNVBAGLBSA-N 0 3 292.405 -1.065 20 0 CAADHN CS(=O)(=O)NCCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000653826864 409494409 /nfs/dbraw/zinc/49/44/09/409494409.db2.gz NXDRMUPXQYISES-VHSXEESVSA-N 0 3 263.363 -1.714 20 0 CAADHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)N1CCNC(=O)C1 ZINC000653825277 409494558 /nfs/dbraw/zinc/49/45/58/409494558.db2.gz WTEDMJXMDIGBSV-WDEREUQCSA-N 0 3 282.344 -2.304 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000646795546 409494705 /nfs/dbraw/zinc/49/47/05/409494705.db2.gz QFWBPBGRMMPKHW-QMMMGPOBSA-N 0 3 272.305 -1.721 20 0 CAADHN CN1CCN(C(=O)CNC(=O)c2cccnc2)[C@H](CN)C1 ZINC000646833154 409494769 /nfs/dbraw/zinc/49/47/69/409494769.db2.gz HHDIGOCDQRMKMI-GFCCVEGCSA-N 0 3 291.355 -1.087 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CNC1CC1 ZINC000659342389 409555072 /nfs/dbraw/zinc/55/50/72/409555072.db2.gz ORRCRIIDXYQYDG-RKDXNWHRSA-N 0 3 262.331 -1.333 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H](CN)C1CC1 ZINC000659518720 409556829 /nfs/dbraw/zinc/55/68/29/409556829.db2.gz JLZIVIJZOOHGHN-LPEHRKFASA-N 0 3 291.373 -1.165 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)CCN ZINC000659563942 409557437 /nfs/dbraw/zinc/55/74/37/409557437.db2.gz DSRCUARDIHRKGN-HTQZYQBOSA-N 0 3 265.335 -1.602 20 0 CAADHN CS(=O)(=O)NCCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659430356 409558131 /nfs/dbraw/zinc/55/81/31/409558131.db2.gz CMPFCVLGLAIGQS-HTQZYQBOSA-N 0 3 282.341 -1.384 20 0 CAADHN CN(C)S(=O)(=O)CCNC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659494998 409558367 /nfs/dbraw/zinc/55/83/67/409558367.db2.gz YMVZSSWPAJXAKU-RKDXNWHRSA-N 0 3 296.368 -1.042 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@H](C)N ZINC000659535679 409558424 /nfs/dbraw/zinc/55/84/24/409558424.db2.gz CUHSCVNESMWCTB-BIIVOSGPSA-N 0 3 265.335 -1.555 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)NC[C@@H](C)N)C[C@H]21 ZINC000659540928 409558523 /nfs/dbraw/zinc/55/85/23/409558523.db2.gz YJPVQKNGWYQHGZ-RGOKHQFPSA-N 0 3 291.373 -1.213 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001195691106 782012429 /nfs/dbraw/zinc/01/24/29/782012429.db2.gz GVWLUKTWIDTANO-IVZWLZJFSA-N 0 3 286.332 -2.134 20 0 CAADHN C[C@@H](CNC(=O)N1CCN(C)C[C@@H]1CN)S(C)(=O)=O ZINC000659641754 409560163 /nfs/dbraw/zinc/56/01/63/409560163.db2.gz SCJMZVAZPPJYRT-UWVGGRQHSA-N 0 3 292.405 -1.296 20 0 CAADHN CN(CCN)C(=O)C(=O)NCCO[C@H]1CC1(F)F ZINC000659731428 409569869 /nfs/dbraw/zinc/56/98/69/409569869.db2.gz DOFDODXBRSVINH-ZETCQYMHSA-N 0 3 265.260 -1.056 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@H](N)C1 ZINC000659565776 409561094 /nfs/dbraw/zinc/56/10/94/409561094.db2.gz TZNFZILMPNVPCQ-CIUDSAMLSA-N 0 3 277.346 -1.459 20 0 CAADHN C[C@H](CNC(=O)N1CCN(C)C[C@@H]1CN)S(C)(=O)=O ZINC000659641757 409561544 /nfs/dbraw/zinc/56/15/44/409561544.db2.gz SCJMZVAZPPJYRT-ZJUUUORDSA-N 0 3 292.405 -1.296 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CC[C@@H](N)C1 ZINC000659565779 409561773 /nfs/dbraw/zinc/56/17/73/409561773.db2.gz TZNFZILMPNVPCQ-HRDYMLBCSA-N 0 3 277.346 -1.459 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NC(C)(C)CN ZINC000659565084 409562523 /nfs/dbraw/zinc/56/25/23/409562523.db2.gz NZAYAELKGVLVBQ-HTQZYQBOSA-N 0 3 279.362 -1.165 20 0 CAADHN C[C@H](Cn1cncn1)NC(=O)C(=O)N1CC2CC1(CN)C2 ZINC000659691786 409563254 /nfs/dbraw/zinc/56/32/54/409563254.db2.gz SUCLFYWDGJYUTL-TTXORMCVSA-N 0 3 292.343 -1.268 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NC1CNC1 ZINC000659714062 409563380 /nfs/dbraw/zinc/56/33/80/409563380.db2.gz JEYZAWDCPMWCKC-JGVFFNPUSA-N 0 3 291.329 -2.997 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NC1CNC1 ZINC000659714053 409563532 /nfs/dbraw/zinc/56/35/32/409563532.db2.gz JEYZAWDCPMWCKC-HTQZYQBOSA-N 0 3 291.329 -2.997 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000659715629 409563950 /nfs/dbraw/zinc/56/39/50/409563950.db2.gz XPUHQMDGEOADDI-ZDUSSCGKSA-N 0 3 267.329 -1.162 20 0 CAADHN CO[C@@H](CNC(=O)C(=O)NC1CNC1)[C@@H]1CCOC1 ZINC000659715166 409564802 /nfs/dbraw/zinc/56/48/02/409564802.db2.gz SOCAGVLGTOFISH-SCZZXKLOSA-N 0 3 271.317 -1.758 20 0 CAADHN N[C@@H](CNC(=O)C(=O)N[C@H]1CCNC1=O)c1ccccc1 ZINC000659711627 409565063 /nfs/dbraw/zinc/56/50/63/409565063.db2.gz BSUDUTNLBSDFLV-QWRGUYRKSA-N 0 3 290.323 -1.193 20 0 CAADHN NCCNC(=O)C(=O)N1CCC[C@@](O)(C2CC2)C1 ZINC000659709411 409565806 /nfs/dbraw/zinc/56/58/06/409565806.db2.gz IKRBPIPMMCARAN-LBPRGKRZSA-N 0 3 255.318 -1.175 20 0 CAADHN O=C(NCCO[C@@H]1CC1(F)F)C(=O)NC1CNC1 ZINC000659713577 409566517 /nfs/dbraw/zinc/56/65/17/409566517.db2.gz FKYRZKGDVSHAMO-SSDOTTSWSA-N 0 3 263.244 -1.385 20 0 CAADHN NCCNC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000659708906 409566535 /nfs/dbraw/zinc/56/65/35/409566535.db2.gz BVTLRHWGTFQMTB-JTQLQIEISA-N 0 3 270.333 -2.006 20 0 CAADHN COc1ccnc(CNC(=O)C(=O)NC2CNC2)c1F ZINC000659715462 409566589 /nfs/dbraw/zinc/56/65/89/409566589.db2.gz VGXCOVMWDCEMKM-UHFFFAOYSA-N 0 3 282.275 -1.067 20 0 CAADHN C[C@H]1NC(=O)N(CCN2CCN3C[C@H](O)C[C@H]3C2)C1=O ZINC000653828997 409497762 /nfs/dbraw/zinc/49/77/62/409497762.db2.gz PKCHLKQBRZTGRT-OUAUKWLOSA-N 0 3 282.344 -1.323 20 0 CAADHN CCS(=O)(=O)NCCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000653827036 409498185 /nfs/dbraw/zinc/49/81/85/409498185.db2.gz QODPTFKAHSCTJM-WDEREUQCSA-N 0 3 277.390 -1.324 20 0 CAADHN O=S1(=O)CCCN1CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000653829199 409498306 /nfs/dbraw/zinc/49/83/06/409498306.db2.gz CSTVLIKPDZIWSZ-NWDGAFQWSA-N 0 3 289.401 -1.227 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000648838626 409500281 /nfs/dbraw/zinc/50/02/81/409500281.db2.gz QVQJBJJRLLKJCB-GXSJLCMTSA-N 0 3 293.389 -1.551 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648863814 409502225 /nfs/dbraw/zinc/50/22/25/409502225.db2.gz YFWOPBUDBHKNER-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1cnnn1 ZINC000649079968 409503076 /nfs/dbraw/zinc/50/30/76/409503076.db2.gz NQDHRPDLVHDYGZ-VIFPVBQESA-N 0 3 281.320 -1.749 20 0 CAADHN CCN1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC000649164520 409503102 /nfs/dbraw/zinc/50/31/02/409503102.db2.gz UAUGABGPOUSLCC-RKDXNWHRSA-N 0 3 278.378 -1.503 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1COCCO1 ZINC000649078637 409503162 /nfs/dbraw/zinc/50/31/62/409503162.db2.gz NIOZGRXEMCCMSP-MNOVXSKESA-N 0 3 285.344 -1.020 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CN1CCOCC1 ZINC000649073130 409503179 /nfs/dbraw/zinc/50/31/79/409503179.db2.gz PAVJQFBQMRFOLJ-LBPRGKRZSA-N 0 3 298.387 -1.103 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)CCNC(N)=O ZINC000649080234 409503277 /nfs/dbraw/zinc/50/32/77/409503277.db2.gz TWBJHSLZFDCWBU-VIFPVBQESA-N 0 3 285.348 -1.377 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@]1(O)CCOC1 ZINC000649069675 409503363 /nfs/dbraw/zinc/50/33/63/409503363.db2.gz XNTXJTWASHJNSD-ZWNOBZJWSA-N 0 3 285.344 -1.284 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCC(=O)N1 ZINC000649075879 409503553 /nfs/dbraw/zinc/50/35/53/409503553.db2.gz LXMJWRYQEUREPC-VHSXEESVSA-N 0 3 282.344 -1.157 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CCNC(N)=O ZINC000649080233 409503592 /nfs/dbraw/zinc/50/35/92/409503592.db2.gz TWBJHSLZFDCWBU-SECBINFHSA-N 0 3 285.348 -1.377 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1COCCO1 ZINC000649078639 409503694 /nfs/dbraw/zinc/50/36/94/409503694.db2.gz NIOZGRXEMCCMSP-WDEREUQCSA-N 0 3 285.344 -1.020 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CN(C)CCO1 ZINC000649075062 409504316 /nfs/dbraw/zinc/50/43/16/409504316.db2.gz VUYFAGGSOGPXHG-NWDGAFQWSA-N 0 3 298.387 -1.105 20 0 CAADHN COC[C@@](C)(O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649074184 409504503 /nfs/dbraw/zinc/50/45/03/409504503.db2.gz CPBBKIRTKWZOPE-GXFFZTMASA-N 0 3 287.360 -1.038 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)NCCN1CCCC1=O ZINC000659727126 409567769 /nfs/dbraw/zinc/56/77/69/409567769.db2.gz HVRLDUHYDCXQQX-UHFFFAOYSA-N 0 3 294.355 -1.325 20 0 CAADHN C[C@@H](C(=O)N(C)CC(=O)N1CCNCC1)N(C)C ZINC000649269738 409505253 /nfs/dbraw/zinc/50/52/53/409505253.db2.gz RSMONUKHUUIFIW-JTQLQIEISA-N 0 3 256.350 -1.173 20 0 CAADHN CCN1CCN(C(=O)CNC(=O)c2ncn[nH]2)CC1 ZINC000649225247 409506870 /nfs/dbraw/zinc/50/68/70/409506870.db2.gz KTNFRQAHGRSGRP-UHFFFAOYSA-N 0 3 266.305 -1.301 20 0 CAADHN CCN1CCN(C(=O)CNC(=O)c2nc[nH]n2)CC1 ZINC000649225247 409506871 /nfs/dbraw/zinc/50/68/71/409506871.db2.gz KTNFRQAHGRSGRP-UHFFFAOYSA-N 0 3 266.305 -1.301 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)COC2(C)CNC2)CC1 ZINC000649292564 409507408 /nfs/dbraw/zinc/50/74/08/409507408.db2.gz PKXDCNAAMVSRNX-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN CCN1C[C@@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000649825096 409509182 /nfs/dbraw/zinc/50/91/82/409509182.db2.gz SFRPNLRVFSZHIT-RKDXNWHRSA-N 0 3 280.332 -1.167 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC000573576830 409509203 /nfs/dbraw/zinc/50/92/03/409509203.db2.gz LDVTWEHMIHEFCA-UWVGGRQHSA-N 0 3 298.343 -1.548 20 0 CAADHN CCN1C[C@H](C)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000649825094 409509222 /nfs/dbraw/zinc/50/92/22/409509222.db2.gz SFRPNLRVFSZHIT-DTWKUNHWSA-N 0 3 280.332 -1.167 20 0 CAADHN CN(C)C(=O)CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654353077 409509931 /nfs/dbraw/zinc/50/99/31/409509931.db2.gz AVGFWLUXTHMIIW-VHSXEESVSA-N 0 3 270.333 -1.465 20 0 CAADHN CN1C[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000654476137 409510878 /nfs/dbraw/zinc/51/08/78/409510878.db2.gz GLCFZFIIGVRWQB-GARJFASQSA-N 0 3 282.344 -1.323 20 0 CAADHN CN1C[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000654476138 409510888 /nfs/dbraw/zinc/51/08/88/409510888.db2.gz GLCFZFIIGVRWQB-OUAUKWLOSA-N 0 3 282.344 -1.323 20 0 CAADHN CCN(C)C(=O)CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654535249 409510968 /nfs/dbraw/zinc/51/09/68/409510968.db2.gz IYAPWIHQMJXXMV-WDEREUQCSA-N 0 3 284.360 -1.075 20 0 CAADHN Cc1nn(CC(=O)NC[C@@H](C)N(C)C)c(=O)n1C ZINC000654480275 409511020 /nfs/dbraw/zinc/51/10/20/409511020.db2.gz SOOJTFISXBZSOA-MRVPVSSYSA-N 0 3 255.322 -1.043 20 0 CAADHN CN(C)C(=O)CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654383702 409511320 /nfs/dbraw/zinc/51/13/20/409511320.db2.gz MPQFCFRRJSCVJY-WDEREUQCSA-N 0 3 284.360 -1.075 20 0 CAADHN NC(=O)[C@H]1C[C@@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000654604716 409511489 /nfs/dbraw/zinc/51/14/89/409511489.db2.gz JQEBJLIQXGHISX-ZRUFSTJUSA-N 0 3 282.344 -1.289 20 0 CAADHN O=C(NCC[C@]1(O)CCOC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654605124 409511508 /nfs/dbraw/zinc/51/15/08/409511508.db2.gz VWSRQXHWRHPPJB-SCRDCRAPSA-N 0 3 299.371 -1.012 20 0 CAADHN COCCN(C)CCCNC(=O)Cn1nc(C)n(C)c1=O ZINC000654497311 409511529 /nfs/dbraw/zinc/51/15/29/409511529.db2.gz KXWVTYWWRSJRLO-UHFFFAOYSA-N 0 3 299.375 -1.025 20 0 CAADHN CNC(=O)C[C@@H](C)NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654583673 409511612 /nfs/dbraw/zinc/51/16/12/409511612.db2.gz FYVIFYCHPNSJJH-OUAUKWLOSA-N 0 3 284.360 -1.029 20 0 CAADHN O=C1CCC(=O)N1CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405258046 409511663 /nfs/dbraw/zinc/51/16/63/409511663.db2.gz LULUWJFITSKPNQ-WDEREUQCSA-N 0 3 267.329 -1.114 20 0 CAADHN COCCCNC(=O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405259237 409511713 /nfs/dbraw/zinc/51/17/13/409511713.db2.gz NUDBYAUYUOYZPA-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654592253 409511741 /nfs/dbraw/zinc/51/17/41/409511741.db2.gz KLOQPGCRJCBZBU-WHOHXGKFSA-N 0 3 285.344 -1.139 20 0 CAADHN CC1(OCC(=O)NCCN2CCCS2(=O)=O)CNC1 ZINC000405390303 409512264 /nfs/dbraw/zinc/51/22/64/409512264.db2.gz FLGQLSGZEIEODL-UHFFFAOYSA-N 0 3 291.373 -1.483 20 0 CAADHN COCCN(C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC000654698577 409512489 /nfs/dbraw/zinc/51/24/89/409512489.db2.gz QVFLISUKDVIGAN-UHFFFAOYSA-N 0 3 285.348 -1.415 20 0 CAADHN CCN1CCN(CCC(=O)N[C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000655061130 409513508 /nfs/dbraw/zinc/51/35/08/409513508.db2.gz SKCBQIUHHFOWHT-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN Cc1nn(CC(=O)NC[C@]2(O)CCN(C)C2)c(=O)n1C ZINC000655000407 409514945 /nfs/dbraw/zinc/51/49/45/409514945.db2.gz IMARNUIUIVGNLI-GFCCVEGCSA-N 0 3 283.332 -1.927 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2CCCC[C@@H](O)C2=O)C[C@@H]1O ZINC000655096231 409516067 /nfs/dbraw/zinc/51/60/67/409516067.db2.gz PKCIMXZDBBAMJN-TUAOUCFPSA-N 0 3 299.371 -1.507 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@@H]1O ZINC000655095672 409516093 /nfs/dbraw/zinc/51/60/93/409516093.db2.gz BEEYTWBGXWFEEZ-UTLUCORTSA-N 0 3 255.318 -1.402 20 0 CAADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000659723755 409568297 /nfs/dbraw/zinc/56/82/97/409568297.db2.gz RELVWHYAZPGPAX-BDAKNGLRSA-N 0 3 270.333 -1.375 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@@H]1O ZINC000655095671 409516210 /nfs/dbraw/zinc/51/62/10/409516210.db2.gz BEEYTWBGXWFEEZ-GUBZILKMSA-N 0 3 255.318 -1.402 20 0 CAADHN CO[C@H]1C[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)N(C)C1 ZINC000655096062 409516543 /nfs/dbraw/zinc/51/65/43/409516543.db2.gz HPEJACBFVOJVES-BJDJZHNGSA-N 0 3 271.361 -1.161 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@@H]1O ZINC000655096200 409516871 /nfs/dbraw/zinc/51/68/71/409516871.db2.gz JNFSKKLSAFUMDY-VGMNWLOBSA-N 0 3 277.346 -2.189 20 0 CAADHN NC[C@H](NC(=O)NCCN1C(=O)CNC1=O)C(F)(F)F ZINC000655913723 409518665 /nfs/dbraw/zinc/51/86/65/409518665.db2.gz BQXRLDUXQJOFDG-YFKPBYRVSA-N 0 3 297.237 -1.273 20 0 CAADHN CN(C[C@H](O)CO)C(=O)N[C@H](CN)C(F)(F)F ZINC000655925145 409518725 /nfs/dbraw/zinc/51/87/25/409518725.db2.gz XLASMGMUXRRAJK-NTSWFWBYSA-N 0 3 259.228 -1.129 20 0 CAADHN NC[C@@H](NC(=O)NCCN1CCNC(=O)C1)C(F)(F)F ZINC000655919515 409519327 /nfs/dbraw/zinc/51/93/27/409519327.db2.gz BWDFOCULHMELAT-SSDOTTSWSA-N 0 3 297.281 -1.393 20 0 CAADHN NC[C@H](NC(=O)N1CCN(C(=O)CO)CC1)C(F)(F)F ZINC000655920800 409519446 /nfs/dbraw/zinc/51/94/46/409519446.db2.gz IXENISIUOAPGPV-ZETCQYMHSA-N 0 3 298.265 -1.278 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CC1=O ZINC000655164428 409519690 /nfs/dbraw/zinc/51/96/90/409519690.db2.gz QPVWUAJGMIWZRJ-QWRGUYRKSA-N 0 3 296.371 -1.270 20 0 CAADHN C[C@@](O)(CO)CNC(=O)N[C@H](CN)C(F)(F)F ZINC000655926346 409519718 /nfs/dbraw/zinc/51/97/18/409519718.db2.gz DAASTSIQBFUIQX-VDTYLAMSSA-N 0 3 259.228 -1.082 20 0 CAADHN NC[C@@H](NC(=O)N1C[C@@H](O)[C@@H](O)C1)C(F)(F)F ZINC000655920865 409519746 /nfs/dbraw/zinc/51/97/46/409519746.db2.gz JMLPOFXHANZVMJ-NGJCXOISSA-N 0 3 257.212 -1.377 20 0 CAADHN C[C@](O)(CO)CNC(=O)N[C@H](CN)C(F)(F)F ZINC000655926345 409520028 /nfs/dbraw/zinc/52/00/28/409520028.db2.gz DAASTSIQBFUIQX-IYSWYEEDSA-N 0 3 259.228 -1.082 20 0 CAADHN NC[C@@H](NC(=O)N[C@H]1CCC(=O)NC1=O)C(F)(F)F ZINC000655921240 409520232 /nfs/dbraw/zinc/52/02/32/409520232.db2.gz KLXIAVAUPGOEND-CRCLSJGQSA-N 0 3 282.222 -1.020 20 0 CAADHN CS(=O)(=O)NCCNC(=O)N[C@H](CN)C(F)(F)F ZINC000655911347 409520252 /nfs/dbraw/zinc/52/02/52/409520252.db2.gz DNPDYNDXQNDFCC-RXMQYKEDSA-N 0 3 292.283 -1.276 20 0 CAADHN NC[C@H](NC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C(F)(F)F ZINC000655932190 409520261 /nfs/dbraw/zinc/52/02/61/409520261.db2.gz TVPGIGPKYYUKBF-JKUQZMGJSA-N 0 3 294.233 -1.210 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N[C@H](CN)C(F)(F)F ZINC000655927869 409520321 /nfs/dbraw/zinc/52/03/21/409520321.db2.gz JLRLITTWXKIFFD-RXMQYKEDSA-N 0 3 292.283 -1.276 20 0 CAADHN NC[C@H](NC(=O)N1CCO[C@H](C(N)=O)C1)C(F)(F)F ZINC000655912671 409520480 /nfs/dbraw/zinc/52/04/80/409520480.db2.gz AZZBDBFFXVUKSW-WDSKDSINSA-N 0 3 284.238 -1.228 20 0 CAADHN Cc1cncc(CCNC(=O)C(=O)NC2CNC2)n1 ZINC000659715728 409568588 /nfs/dbraw/zinc/56/85/88/409568588.db2.gz YKXNGVUFOLGXLA-UHFFFAOYSA-N 0 3 263.301 -1.468 20 0 CAADHN COCC1(CNC(=O)C(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000656029888 409525245 /nfs/dbraw/zinc/52/52/45/409525245.db2.gz JJYVKAIXRGPWED-NSHDSACASA-N 0 3 298.387 -1.370 20 0 CAADHN CC(C)(C)n1nnc(CNC(=O)C(=O)NC2CNC2)n1 ZINC000656023234 409527165 /nfs/dbraw/zinc/52/71/65/409527165.db2.gz ZIWJASDCTFFDHR-UHFFFAOYSA-N 0 3 281.320 -1.868 20 0 CAADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405535474 409527777 /nfs/dbraw/zinc/52/77/77/409527777.db2.gz ZNPJVQHDPNPLGU-YIZRAAEISA-N 0 3 282.300 -2.138 20 0 CAADHN COCC1(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000656023441 409527810 /nfs/dbraw/zinc/52/78/10/409527810.db2.gz CLHIMTVGLBTYJA-JTQLQIEISA-N 0 3 285.344 -1.366 20 0 CAADHN CN(C)CCN1CCN(C(=O)Cn2cncn2)CC1 ZINC000656496975 409529599 /nfs/dbraw/zinc/52/95/99/409529599.db2.gz JUAAJFFYQBVKKE-UHFFFAOYSA-N 0 3 266.349 -1.016 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656104191 409529837 /nfs/dbraw/zinc/52/98/37/409529837.db2.gz JVYQWEPBEWVPTI-OUAUKWLOSA-N 0 3 284.360 -1.931 20 0 CAADHN C[C@H]1CNCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656102016 409531025 /nfs/dbraw/zinc/53/10/25/409531025.db2.gz ATBMQRLZTSPLSB-SDDRHHMPSA-N 0 3 296.371 -1.916 20 0 CAADHN NC[C@@H](NC(=O)C(=O)N[C@H]1CCNC1=O)C1CCCC1 ZINC000659719889 409568887 /nfs/dbraw/zinc/56/88/87/409568887.db2.gz NEDZIRBOQVDDOU-VHSXEESVSA-N 0 3 282.344 -1.375 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000659727952 409569041 /nfs/dbraw/zinc/56/90/41/409569041.db2.gz MFAYWOVJEUUTJF-SRVKXCTJSA-N 0 3 297.355 -1.414 20 0 CAADHN COC[C@@H](O)CNCC(C)(C)NS(C)(=O)=O ZINC000068892099 409539503 /nfs/dbraw/zinc/53/95/03/409539503.db2.gz IVDHGKBSDYKFDT-QMMMGPOBSA-N 0 3 254.352 -1.089 20 0 CAADHN C[C@H](O)CN1CCN(c2nc(N)nc(N)n2)[C@H](C)C1 ZINC000624119015 409541094 /nfs/dbraw/zinc/54/10/94/409541094.db2.gz UZCOHHIRLXBWBR-SFYZADRCSA-N 0 3 267.337 -1.412 20 0 CAADHN C[C@@H](O)CN1CCN(c2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000624119014 409541195 /nfs/dbraw/zinc/54/11/95/409541195.db2.gz UZCOHHIRLXBWBR-JGVFFNPUSA-N 0 3 267.337 -1.412 20 0 CAADHN COC[C@H]1CN(c2nc(N)nc(N)n2)C[C@@H](C)O1 ZINC000624146039 409544062 /nfs/dbraw/zinc/54/40/62/409544062.db2.gz PEEDNKLCFDQFTH-RNFRBKRXSA-N 0 3 254.294 -1.063 20 0 CAADHN C[C@H](CNc1nc(N)nc(N)n1)N1CCCCC1=O ZINC000624149932 409544187 /nfs/dbraw/zinc/54/41/87/409544187.db2.gz FPBQXEAVJRHBAI-SSDOTTSWSA-N 0 3 265.321 -1.068 20 0 CAADHN CCOCCOC[C@@H](O)CNc1nc(N)nc(N)n1 ZINC000624155080 409544345 /nfs/dbraw/zinc/54/43/45/409544345.db2.gz FPQGFDBVLCWPQH-ZETCQYMHSA-N 0 3 272.309 -2.055 20 0 CAADHN CCOC1CC(O)(CNc2nc(N)nc(N)n2)C1 ZINC000624160821 409545271 /nfs/dbraw/zinc/54/52/71/409545271.db2.gz NPSYYUXPONPDPK-UHFFFAOYSA-N 0 3 254.294 -1.539 20 0 CAADHN CCNC(=O)C1(CNc2nc(N)nc(N)n2)CCC1 ZINC000624155791 409545479 /nfs/dbraw/zinc/54/54/79/409545479.db2.gz FAKRCYJMRCCOQT-UHFFFAOYSA-N 0 3 265.321 -1.163 20 0 CAADHN COC[C@@H](Nc1nc(N)nc(N)n1)[C@H]1CCCO1 ZINC000624168843 409546599 /nfs/dbraw/zinc/54/65/99/409546599.db2.gz KXXGPYBVSMHXGG-RNFRBKRXSA-N 0 3 254.294 -1.275 20 0 CAADHN Nc1nc(N)nc(NCC2(N3CCOCC3)CC2)n1 ZINC000624159674 409547109 /nfs/dbraw/zinc/54/71/09/409547109.db2.gz LZQSYKKBUBALJQ-UHFFFAOYSA-N 0 3 265.321 -1.605 20 0 CAADHN COCCN1CCCN(c2nc(N)nc(N)n2)CC1=O ZINC000624150455 409547171 /nfs/dbraw/zinc/54/71/71/409547171.db2.gz JEFLVNGQDJHKCZ-UHFFFAOYSA-N 0 3 281.320 -1.618 20 0 CAADHN NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1nc(N)nc(N)n1 ZINC000624150053 409547257 /nfs/dbraw/zinc/54/72/57/409547257.db2.gz NHPQKTNHLPTAMI-ACZMJKKPSA-N 0 3 263.305 -1.213 20 0 CAADHN CCN1CCCN(c2nc(N)nc(N)n2)CC1=O ZINC000624150159 409547283 /nfs/dbraw/zinc/54/72/83/409547283.db2.gz SSMYTFVWOHTHJO-UHFFFAOYSA-N 0 3 251.294 -1.245 20 0 CAADHN Nc1nc(N)nc(NCCN2CCCOCC2)n1 ZINC000624145335 409547553 /nfs/dbraw/zinc/54/75/53/409547553.db2.gz UABRYUMBORNRFF-UHFFFAOYSA-N 0 3 253.310 -1.747 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000659730070 409569590 /nfs/dbraw/zinc/56/95/90/409569590.db2.gz UWGKXZZNUNMQEG-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN CCN(C(=O)C(=O)N1CCNC(=O)C1)[C@@H]1CCN(CC)C1 ZINC000658829343 409550649 /nfs/dbraw/zinc/55/06/49/409550649.db2.gz KFYLKVDKHZBZEF-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CO[C@H](CS(=O)(=O)NC1CNC1)[C@H]1CCOC1 ZINC000658366658 409550925 /nfs/dbraw/zinc/55/09/25/409550925.db2.gz QXUAWXQGHBAIFA-WCBMZHEXSA-N 0 3 264.347 -1.071 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)COC1(C)CNC1 ZINC000659341672 409553068 /nfs/dbraw/zinc/55/30/68/409553068.db2.gz JQWRBUCXBXTEBY-DTWKUNHWSA-N 0 3 292.357 -1.707 20 0 CAADHN O=C(CN1CCN(C2CC2)C1=O)NC[C@@H]1CNCCO1 ZINC000659322702 409553283 /nfs/dbraw/zinc/55/32/83/409553283.db2.gz PKLIJDLUMYZKMV-NSHDSACASA-N 0 3 282.344 -1.009 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CNC1CC1 ZINC000659342384 409553456 /nfs/dbraw/zinc/55/34/56/409553456.db2.gz ORRCRIIDXYQYDG-BDAKNGLRSA-N 0 3 262.331 -1.333 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCN)C[C@H]21 ZINC000659372640 409553519 /nfs/dbraw/zinc/55/35/19/409553519.db2.gz GNJCDLPRXUBOES-YIZRAAEISA-N 0 3 262.331 -1.394 20 0 CAADHN CN(C(=O)C(=O)Nc1ccnc(OCCO)c1)C1CNC1 ZINC000659084846 409553848 /nfs/dbraw/zinc/55/38/48/409553848.db2.gz PROZLTJWLGGSTL-UHFFFAOYSA-N 0 3 294.311 -1.179 20 0 CAADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000659718153 409569656 /nfs/dbraw/zinc/56/96/56/409569656.db2.gz ODZQCWPNHOQQSP-GHMZBOCLSA-N 0 3 285.344 -1.286 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(C)(C)CN ZINC000659341787 409553907 /nfs/dbraw/zinc/55/39/07/409553907.db2.gz KZKWUMUWDUPKGP-YUMQZZPRSA-N 0 3 264.347 -1.101 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@H](C)[C@@H](C)N ZINC000659342797 409554236 /nfs/dbraw/zinc/55/42/36/409554236.db2.gz RTDFGNSFHPLCES-UYXSQOIJSA-N 0 3 264.347 -1.102 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H]1NCC1(C)C ZINC000659341790 409554315 /nfs/dbraw/zinc/55/43/15/409554315.db2.gz LBGODYZIGQIOFH-DJLDLDEBSA-N 0 3 276.358 -1.087 20 0 CAADHN CC(C)OC[C@H](N)C(=O)NCC(=O)N1CCNCC1 ZINC000659303541 409554340 /nfs/dbraw/zinc/55/43/40/409554340.db2.gz OORUWQBUCNAIPX-JTQLQIEISA-N 0 3 272.349 -1.713 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)CCOC1CNC1 ZINC000659340804 409554423 /nfs/dbraw/zinc/55/44/23/409554423.db2.gz ANIQSVVVWAGMDM-ZJUUUORDSA-N 0 3 292.357 -1.707 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000659105762 409554446 /nfs/dbraw/zinc/55/44/46/409554446.db2.gz CPRNRFWVNLFKSZ-GARJFASQSA-N 0 3 294.355 -1.504 20 0 CAADHN O=C(NC[C@@H]1C[C@H](F)CN1)C1(n2cnnn2)CCOCC1 ZINC000659312970 409554516 /nfs/dbraw/zinc/55/45/16/409554516.db2.gz KOGRCUDTTFYQOP-UWVGGRQHSA-N 0 3 298.322 -1.005 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CCOC3(CNC3)C2)C1 ZINC000663217541 409620868 /nfs/dbraw/zinc/62/08/68/409620868.db2.gz MMOSYMQZSLRILR-NSHDSACASA-N 0 3 269.345 -1.092 20 0 CAADHN O=C(CN1CSCC1=O)N1CCOC2(CNC2)C1 ZINC000663485241 409621011 /nfs/dbraw/zinc/62/10/11/409621011.db2.gz ODBJOLLNBVSMAA-UHFFFAOYSA-N 0 3 271.342 -1.280 20 0 CAADHN Cn1c(=O)cc(N2CCCN(CCO)CC2)n(C)c1=O ZINC000663549241 409621423 /nfs/dbraw/zinc/62/14/23/409621423.db2.gz NFTGJJRCLUHDND-UHFFFAOYSA-N 0 3 282.344 -1.412 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCCCn2cncn2)C[C@@H]1O ZINC000663574682 409621945 /nfs/dbraw/zinc/62/19/45/409621945.db2.gz XDDPHSWNICFJCR-QWRGUYRKSA-N 0 3 282.348 -1.016 20 0 CAADHN CC(C)(NS(C)(=O)=O)C(=O)N1CCOC2(CNC2)C1 ZINC000663493615 409622288 /nfs/dbraw/zinc/62/22/88/409622288.db2.gz KFNKVHJJJGJRES-UHFFFAOYSA-N 0 3 291.373 -1.485 20 0 CAADHN CN(C)[C@H]1CN(c2ncnc3c2nnn3C)C[C@@H]1O ZINC000663926073 409624326 /nfs/dbraw/zinc/62/43/26/409624326.db2.gz ZHCBICBETGFWFC-YUMQZZPRSA-N 0 3 263.305 -1.131 20 0 CAADHN COCCOCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663708573 409624356 /nfs/dbraw/zinc/62/43/56/409624356.db2.gz LTIUDYUYFYQQHH-QWRGUYRKSA-N 0 3 275.349 -1.034 20 0 CAADHN CC(=O)NCCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663668278 409626468 /nfs/dbraw/zinc/62/64/68/409626468.db2.gz MVSAXKPONSSTQH-QWRGUYRKSA-N 0 3 272.349 -1.171 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2ncnn2C)CC1=O ZINC000664277177 409627766 /nfs/dbraw/zinc/62/77/66/409627766.db2.gz CSACJRIPBRCICK-UHFFFAOYSA-N 0 3 280.332 -1.339 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664725925 409628292 /nfs/dbraw/zinc/62/82/92/409628292.db2.gz MXQMBKAZOLOTJB-IUCAKERBSA-N 0 3 294.377 -2.148 20 0 CAADHN CC1(C)NC(=O)N(CC(=O)N2CCOC3(CNC3)C2)C1=O ZINC000664723958 409628866 /nfs/dbraw/zinc/62/88/66/409628866.db2.gz BNXAUOOSGAEMQW-UHFFFAOYSA-N 0 3 296.327 -1.482 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CCCN(C)C2=O)C[C@@H]1O ZINC000664313232 409629153 /nfs/dbraw/zinc/62/91/53/409629153.db2.gz KXXUOIIFQICLDI-VWYCJHECSA-N 0 3 284.360 -1.077 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCC(=O)NCC2CC2)C[C@@H]1O ZINC000664605194 409629903 /nfs/dbraw/zinc/62/99/03/409629903.db2.gz KSUSVVNSSZGEAT-QWRGUYRKSA-N 0 3 284.360 -1.171 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCc2nnnn2C2CC2)C[C@@H]1O ZINC000664251330 409630264 /nfs/dbraw/zinc/63/02/64/409630264.db2.gz PREILEZSJJPOHC-UWVGGRQHSA-N 0 3 295.347 -1.176 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1O ZINC000664793331 409631346 /nfs/dbraw/zinc/63/13/46/409631346.db2.gz AJJDFOYSQSTNRA-HPENLJRUSA-N 0 3 255.318 -1.053 20 0 CAADHN CO[C@@H]1CN(CCN2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000664779203 409631698 /nfs/dbraw/zinc/63/16/98/409631698.db2.gz ZZUWJKFPNGSLSQ-DDHJBXDOSA-N 0 3 260.334 -1.631 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001195633511 782012719 /nfs/dbraw/zinc/01/27/19/782012719.db2.gz SVSCZNIESNGPML-UWVGGRQHSA-N 0 3 272.349 -1.042 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)NC[C@H](C)S(N)(=O)=O ZINC000664896004 409632269 /nfs/dbraw/zinc/63/22/69/409632269.db2.gz KNTLHVOUTFCPDE-YUMQZZPRSA-N 0 3 266.367 -1.087 20 0 CAADHN CN(C)CCNC(=O)NCCNS(=O)(=O)N(C)C ZINC000665012444 409632800 /nfs/dbraw/zinc/63/28/00/409632800.db2.gz MYFSJSQXISIGJW-UHFFFAOYSA-N 0 3 281.382 -1.757 20 0 CAADHN CN(C)CCOCCNC(=O)N[C@H]1CCNC1=O ZINC000664730847 409633366 /nfs/dbraw/zinc/63/33/66/409633366.db2.gz AQJBQKDEYDVUMJ-VIFPVBQESA-N 0 3 258.322 -1.248 20 0 CAADHN CCN1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1=O ZINC000664847832 409633625 /nfs/dbraw/zinc/63/36/25/409633625.db2.gz RSNLSDYWWACTCH-VWYCJHECSA-N 0 3 284.360 -1.077 20 0 CAADHN C[C@H](CNC(=O)NCCOCCN(C)C)S(N)(=O)=O ZINC000664732541 409633729 /nfs/dbraw/zinc/63/37/29/409633729.db2.gz XKHZCJNXDDMMAK-SECBINFHSA-N 0 3 296.393 -1.459 20 0 CAADHN CCN1C[C@@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1=O ZINC000665029940 409633748 /nfs/dbraw/zinc/63/37/48/409633748.db2.gz FSAZBJFVHGITAL-DCAQKATOSA-N 0 3 284.360 -1.077 20 0 CAADHN CNC(=O)C[C@H](C)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000665052347 409634787 /nfs/dbraw/zinc/63/47/87/409634787.db2.gz ULYGZSBDDUXYNI-GUBZILKMSA-N 0 3 272.349 -1.173 20 0 CAADHN C[C@@H](CNC(=O)NCCOCCS(N)(=O)=O)N(C)C ZINC000665107821 409635309 /nfs/dbraw/zinc/63/53/09/409635309.db2.gz SZMWOSIHCMYJIX-VIFPVBQESA-N 0 3 296.393 -1.459 20 0 CAADHN CN(C)C(=O)Cn1ccc(NC(=O)CCOC2CNC2)n1 ZINC000349048516 409635390 /nfs/dbraw/zinc/63/53/90/409635390.db2.gz HOAJWIQOACAVSU-UHFFFAOYSA-N 0 3 295.343 -0.712 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCC2(CC(N)=O)CC2)C[C@@H]1O ZINC000665168895 409635465 /nfs/dbraw/zinc/63/54/65/409635465.db2.gz IEMNHBNGCFZPQA-UWVGGRQHSA-N 0 3 284.360 -1.042 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC[C@@H]2CCCNC2=O)C[C@@H]1O ZINC000665120597 409636912 /nfs/dbraw/zinc/63/69/12/409636912.db2.gz HHCAERQNWQGLJK-DCAQKATOSA-N 0 3 284.360 -1.171 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)C[C@@H]1O ZINC000665071207 409636957 /nfs/dbraw/zinc/63/69/57/409636957.db2.gz SRHOOMDPZXPRAY-VLEAKVRGSA-N 0 3 284.360 -1.043 20 0 CAADHN COCC(COC)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000665036043 409637250 /nfs/dbraw/zinc/63/72/50/409637250.db2.gz WADVYQVRIJCWPZ-QWRGUYRKSA-N 0 3 275.349 -1.036 20 0 CAADHN CN1CCCN(C(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC000665160507 409637415 /nfs/dbraw/zinc/63/74/15/409637415.db2.gz ITVOLQWLFIVOEP-IJLUTSLNSA-N 0 3 270.329 -1.437 20 0 CAADHN CN(C)CCOCCNc1cc(C(N)=O)ncn1 ZINC000641478432 409639546 /nfs/dbraw/zinc/63/95/46/409639546.db2.gz AROMHCHBFZUKMS-UHFFFAOYSA-N 0 3 253.306 -0.434 20 0 CAADHN CN1CC(=O)N(CCN(CCO)CCCO)C1=O ZINC000659913939 409573218 /nfs/dbraw/zinc/57/32/18/409573218.db2.gz FGIYWONCHAYGPT-UHFFFAOYSA-N 0 3 259.306 -1.443 20 0 CAADHN CN(CCN1C(=O)CN(C)C1=O)CC(C)(CO)CO ZINC000660017012 409575147 /nfs/dbraw/zinc/57/51/47/409575147.db2.gz BWKKVARQFIIGJA-UHFFFAOYSA-N 0 3 273.333 -1.197 20 0 CAADHN C[C@@H](O)CN(CCO)CCN1C(=O)CN(C)C1=O ZINC000660561795 409576510 /nfs/dbraw/zinc/57/65/10/409576510.db2.gz AWTYTZRROCQJDK-SECBINFHSA-N 0 3 259.306 -1.445 20 0 CAADHN C[C@@H]1CCNC(=O)[C@@H]1NCCN1C(=O)CN(C)C1=O ZINC000660478049 409576688 /nfs/dbraw/zinc/57/66/88/409576688.db2.gz MBTXKYWYBPOVMM-PSASIEDQSA-N 0 3 268.317 -1.005 20 0 CAADHN CN(C)CCN1CCN(C(=O)N[C@H]2CCNC2=O)CC1=O ZINC000661389009 409580459 /nfs/dbraw/zinc/58/04/59/409580459.db2.gz JLHJKUZRXBMCQP-JTQLQIEISA-N 0 3 297.359 -1.710 20 0 CAADHN O=C(CN[C@H](CO)C1CCC1)N1CCNC(=O)C1 ZINC000661158998 409581076 /nfs/dbraw/zinc/58/10/76/409581076.db2.gz TYQOJZCTFCSIKQ-SNVBAGLBSA-N 0 3 255.318 -1.305 20 0 CAADHN O=C(CN[C@@H](CO)C1CCC1)N1CCNC(=O)C1 ZINC000661158997 409581838 /nfs/dbraw/zinc/58/18/38/409581838.db2.gz TYQOJZCTFCSIKQ-JTQLQIEISA-N 0 3 255.318 -1.305 20 0 CAADHN CN(C)CCN1CCN(C[C@@H]2CNC(=O)C2)CC1=O ZINC000660913997 409582964 /nfs/dbraw/zinc/58/29/64/409582964.db2.gz RTOGFIJINLIQAR-NSHDSACASA-N 0 3 268.361 -1.172 20 0 CAADHN O=C(CN[C@H]1C[C@@H](O)C12CCC2)N1CCNC(=O)C1 ZINC000661836352 409584561 /nfs/dbraw/zinc/58/45/61/409584561.db2.gz FBGQWCHRNIFESC-VHSXEESVSA-N 0 3 267.329 -1.162 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN1C[C@H]1CNCCO1 ZINC000662259294 409584699 /nfs/dbraw/zinc/58/46/99/409584699.db2.gz UPWRHOFYBDTZDA-GHMZBOCLSA-N 0 3 277.390 -1.012 20 0 CAADHN CNC(=O)[C@H]1CN(C[C@@H]2CCC3(CNC3)O2)CCO1 ZINC000662281637 409584839 /nfs/dbraw/zinc/58/48/39/409584839.db2.gz YXLWCJNDURODDL-WDEREUQCSA-N 0 3 269.345 -1.046 20 0 CAADHN CCNS(=O)(=O)[C@@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000662280364 409585053 /nfs/dbraw/zinc/58/50/53/409585053.db2.gz ONYOFMHKKHFCBE-GHMZBOCLSA-N 0 3 277.390 -1.012 20 0 CAADHN CCNS(=O)(=O)[C@@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000662280369 409585069 /nfs/dbraw/zinc/58/50/69/409585069.db2.gz ONYOFMHKKHFCBE-WDEREUQCSA-N 0 3 277.390 -1.012 20 0 CAADHN CNS(=O)(=O)[C@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000662254815 409585216 /nfs/dbraw/zinc/58/52/16/409585216.db2.gz MMJDMTFQYOZTBK-MNOVXSKESA-N 0 3 277.390 -1.012 20 0 CAADHN CC(C)NC(=O)C(=O)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662249353 409585260 /nfs/dbraw/zinc/58/52/60/409585260.db2.gz UANPJXQDGWSDDC-LBPRGKRZSA-N 0 3 298.387 -1.356 20 0 CAADHN O=C(CN[C@H]1C[C@H](O)C12CCC2)N1CCNC(=O)C1 ZINC000661836351 409585683 /nfs/dbraw/zinc/58/56/83/409585683.db2.gz FBGQWCHRNIFESC-UWVGGRQHSA-N 0 3 267.329 -1.162 20 0 CAADHN CN(CC(=O)N1CCNCC1)C[C@H]1CCC2(CNC2)O1 ZINC000662243507 409585997 /nfs/dbraw/zinc/58/59/97/409585997.db2.gz MDWMSXCUKGYZII-GFCCVEGCSA-N 0 3 282.388 -1.129 20 0 CAADHN OCCN(CCN1CCOCC1)C[C@@H]1CNCCO1 ZINC000662261103 409586240 /nfs/dbraw/zinc/58/62/40/409586240.db2.gz UHDUOBZOGPXMLT-ZDUSSCGKSA-N 0 3 273.377 -1.399 20 0 CAADHN CS(=O)(=O)N[C@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000662250821 409586387 /nfs/dbraw/zinc/58/63/87/409586387.db2.gz OYABHNLAMDSABZ-QWRGUYRKSA-N 0 3 277.390 -1.012 20 0 CAADHN NS(=O)(=O)C[C@H]1CCCN1C[C@H]1CNCCO1 ZINC000662277915 409586824 /nfs/dbraw/zinc/58/68/24/409586824.db2.gz VHKKHRLXIAUEOC-NXEZZACHSA-N 0 3 263.363 -1.272 20 0 CAADHN NS(=O)(=O)C[C@@H]1CCCN1C[C@H]1CNCCO1 ZINC000662277920 409587316 /nfs/dbraw/zinc/58/73/16/409587316.db2.gz VHKKHRLXIAUEOC-VHSXEESVSA-N 0 3 263.363 -1.272 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C[C@H]3CNCCO3)C[C@H]21 ZINC000662309932 409589140 /nfs/dbraw/zinc/58/91/40/409589140.db2.gz AXFPBGHEOPJDDL-KXNHARMFSA-N 0 3 290.385 -1.281 20 0 CAADHN C[C@H](CN(CCN)C[C@H](O)CO)CS(C)(=O)=O ZINC000662289793 409589534 /nfs/dbraw/zinc/58/95/34/409589534.db2.gz WBWOEQWZRTYDQA-ZJUUUORDSA-N 0 3 268.379 -1.719 20 0 CAADHN CN(CC(=O)N1CCNC(=O)C1)[C@@H](CN)C(F)(F)F ZINC000662331797 409589956 /nfs/dbraw/zinc/58/99/56/409589956.db2.gz SVCXERHYLAPOBH-ZETCQYMHSA-N 0 3 282.266 -1.234 20 0 CAADHN CN1CCN(CCC(=O)N2CCNCC2)CCC1=O ZINC000662314440 409591000 /nfs/dbraw/zinc/59/10/00/409591000.db2.gz PEHDRPILBHZTBR-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN C[C@H](CN(CCN)C[C@@H](O)CO)CS(C)(=O)=O ZINC000662289788 409591102 /nfs/dbraw/zinc/59/11/02/409591102.db2.gz WBWOEQWZRTYDQA-NXEZZACHSA-N 0 3 268.379 -1.719 20 0 CAADHN C[C@@H](NC(=O)CN1CC[C@@H](F)[C@H](N)C1)C(=O)N(C)C ZINC000662321959 409591268 /nfs/dbraw/zinc/59/12/68/409591268.db2.gz JKDXTZIDSIZNLR-OPRDCNLKSA-N 0 3 274.340 -1.050 20 0 CAADHN CC(C)OC[C@H](N)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000662340431 409591613 /nfs/dbraw/zinc/59/16/13/409591613.db2.gz DOEDEHLSDWHWKN-NSHDSACASA-N 0 3 286.376 -1.371 20 0 CAADHN CCc1cc(=O)[n-]c(CN(CC[NH3+])C[C@H](O)CO)n1 ZINC000662288015 409591679 /nfs/dbraw/zinc/59/16/79/409591679.db2.gz MCGGWCHAHBNQSF-JTQLQIEISA-N 0 3 270.333 -1.142 20 0 CAADHN NS(=O)(=O)N1CCC[C@H](C(=O)N2CCCNCC2)C1 ZINC000662395030 409591910 /nfs/dbraw/zinc/59/19/10/409591910.db2.gz BARUFZUFAKMGEW-JTQLQIEISA-N 0 3 290.389 -1.276 20 0 CAADHN CS(=O)(=O)CC1(CN(CCN)C[C@@H](O)CO)CC1 ZINC000662288012 409591940 /nfs/dbraw/zinc/59/19/40/409591940.db2.gz MBCYBYJVQOIUFP-SNVBAGLBSA-N 0 3 280.390 -1.575 20 0 CAADHN CC[C@H](NC)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC ZINC000662443338 409593205 /nfs/dbraw/zinc/59/32/05/409593205.db2.gz JUTNGLJQUPUJHR-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CN1C[C@H](C(=O)N2CCN(C)C[C@H]2CN)NC1=O ZINC000662428990 409593531 /nfs/dbraw/zinc/59/35/31/409593531.db2.gz MQFMAEFHRVWWDI-RKDXNWHRSA-N 0 3 255.322 -1.889 20 0 CAADHN CN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2CN)NC1=O ZINC000662428989 409594015 /nfs/dbraw/zinc/59/40/15/409594015.db2.gz MQFMAEFHRVWWDI-IUCAKERBSA-N 0 3 255.322 -1.889 20 0 CAADHN CC(C)OC[C@H](N)C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000662425480 409595894 /nfs/dbraw/zinc/59/58/94/409595894.db2.gz CXSWNSMFBXBGJF-VIFPVBQESA-N 0 3 297.363 -1.095 20 0 CAADHN CC[C@@H](NC)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000662527776 409599234 /nfs/dbraw/zinc/59/92/34/409599234.db2.gz YZRUYUJOLBNGST-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN CC(C)NCC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000662481301 409599472 /nfs/dbraw/zinc/59/94/72/409599472.db2.gz AGEJTGJUJPBZKR-UHFFFAOYSA-N 0 3 292.405 -1.583 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(N)C(F)(F)F ZINC000662636749 409601412 /nfs/dbraw/zinc/60/14/12/409601412.db2.gz AKHURRWCJOWWJV-JKUQZMGJSA-N 0 3 290.263 -1.196 20 0 CAADHN CC[C@@H](C(N)=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001273703106 782012641 /nfs/dbraw/zinc/01/26/41/782012641.db2.gz CDVLTUNHHAUCFC-NSHDSACASA-N 0 3 298.387 -1.275 20 0 CAADHN C[C@@H]1CN(CCCNC(=O)C2(O)CNC2)C[C@H](C)O1 ZINC000662671139 409602832 /nfs/dbraw/zinc/60/28/32/409602832.db2.gz MISITBZOWBOKPB-PHIMTYICSA-N 0 3 271.361 -1.064 20 0 CAADHN CN[C@@H](C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000662641565 409602874 /nfs/dbraw/zinc/60/28/74/409602874.db2.gz YYHIAVUHVCROQI-FXQIFTODSA-N 0 3 250.320 -1.478 20 0 CAADHN CC(C)CN1CCO[C@@H](CNC(=O)C2(O)CNC2)C1 ZINC000662668299 409603396 /nfs/dbraw/zinc/60/33/96/409603396.db2.gz KEIPQWHZAKLGSE-NSHDSACASA-N 0 3 271.361 -1.206 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CNC(=O)CN ZINC000662659949 409603423 /nfs/dbraw/zinc/60/34/23/409603423.db2.gz QWFPGRCCYUWUNR-UHFFFAOYSA-N 0 3 287.364 -2.460 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1(N)CCC1 ZINC000662638979 409603443 /nfs/dbraw/zinc/60/34/43/409603443.db2.gz FCIDWLKNHJNHSV-JGVFFNPUSA-N 0 3 262.331 -1.204 20 0 CAADHN CC[C@H](N)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000662637342 409604102 /nfs/dbraw/zinc/60/41/02/409604102.db2.gz DIJZVTYVUHDITP-BIIVOSGPSA-N 0 3 250.320 -1.348 20 0 CAADHN C[C@@H]1CN(CCCNC(=O)C2(O)CNC2)C[C@@H](C)O1 ZINC000662671137 409604359 /nfs/dbraw/zinc/60/43/59/409604359.db2.gz MISITBZOWBOKPB-GHMZBOCLSA-N 0 3 271.361 -1.064 20 0 CAADHN CCN1CCN(CCCNC(=O)C2(O)CNC2)CC1 ZINC000662758353 409606638 /nfs/dbraw/zinc/60/66/38/409606638.db2.gz QXGSHUHHZZAOSI-UHFFFAOYSA-N 0 3 270.377 -1.536 20 0 CAADHN CN1CCN(CC2CCN(C(=O)C3(O)CNC3)CC2)CC1 ZINC000662788988 409607218 /nfs/dbraw/zinc/60/72/18/409607218.db2.gz YKTPZUXBAJZEBO-UHFFFAOYSA-N 0 3 296.415 -1.193 20 0 CAADHN CCN1CCN([C@H](C)CNC(=O)C2(O)CNC2)CC1 ZINC000662758266 409607911 /nfs/dbraw/zinc/60/79/11/409607911.db2.gz PQWXJZKZLOFFSQ-LLVKDONJSA-N 0 3 270.377 -1.537 20 0 CAADHN C[C@H](CNC(=O)C1(O)CNC1)CN1CCN(C)CC1 ZINC000662758363 409608953 /nfs/dbraw/zinc/60/89/53/409608953.db2.gz QYEQHLBJMWRYGG-LLVKDONJSA-N 0 3 270.377 -1.680 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)C[C@@H]1COCCO1 ZINC000662873615 409610118 /nfs/dbraw/zinc/61/01/18/409610118.db2.gz JGNVSWBFXUCOHB-PWSUYJOCSA-N 0 3 287.360 -1.040 20 0 CAADHN CC1(OCC(=O)NCCCNS(C)(=O)=O)CNC1 ZINC000219016640 409610315 /nfs/dbraw/zinc/61/03/15/409610315.db2.gz DZAQWYXDWYOBSR-UHFFFAOYSA-N 0 3 279.362 -1.580 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2CC(=O)N[C@@H](C)C2)[C@H](CN)C1 ZINC000662983609 409614832 /nfs/dbraw/zinc/61/48/32/409614832.db2.gz DQZOYCSVSLDMQC-VWYCJHECSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CCCNCC1 ZINC000662952877 409615008 /nfs/dbraw/zinc/61/50/08/409615008.db2.gz HOTHRCKCQXJWDB-LLVKDONJSA-N 0 3 285.344 -1.318 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](O)[C@H](CO)C2)[C@H](CN)C1 ZINC000662979763 409615239 /nfs/dbraw/zinc/61/52/39/409615239.db2.gz BXMSXNOIRJCEHD-RHYQMDGZSA-N 0 3 299.371 -1.616 20 0 CAADHN C[C@H](CNC(=O)COC1(C)CNC1)S(C)(=O)=O ZINC000662973642 409615755 /nfs/dbraw/zinc/61/57/55/409615755.db2.gz SYDGXPJXWSELBW-MRVPVSSYSA-N 0 3 264.347 -1.086 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N(C)CCC(N)=O)[C@H](CN)C1 ZINC000662984871 409615767 /nfs/dbraw/zinc/61/57/67/409615767.db2.gz PETVJGZNXZEAQH-ZJUUUORDSA-N 0 3 284.360 -1.094 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000662959114 409615810 /nfs/dbraw/zinc/61/58/10/409615810.db2.gz FKMPMAGPLHYBMY-UWVGGRQHSA-N 0 3 255.318 -1.102 20 0 CAADHN C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CCO1 ZINC000662946286 409615822 /nfs/dbraw/zinc/61/58/22/409615822.db2.gz QLPZODJSZLXOPV-FQYCYVTBSA-N 0 3 297.355 -1.456 20 0 CAADHN COCCn1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)n1 ZINC000444510098 409693057 /nfs/dbraw/zinc/69/30/57/409693057.db2.gz ZTVXGMGUGSXHOB-SNVBAGLBSA-N 0 3 297.359 -0.466 20 0 CAADHN COC[C@@H](O)CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000338423937 409694526 /nfs/dbraw/zinc/69/45/26/409694526.db2.gz UIXOMTMZWLATRP-JTQLQIEISA-N 0 3 285.348 -0.427 20 0 CAADHN COC[C@H](CO)NC(=O)Nc1ccn(CCN(C)C)n1 ZINC000353053271 409694960 /nfs/dbraw/zinc/69/49/60/409694960.db2.gz STJPMTXUDOOXFP-JTQLQIEISA-N 0 3 285.348 -0.427 20 0 CAADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(C)n(C)n1 ZINC000346291957 409696368 /nfs/dbraw/zinc/69/63/68/409696368.db2.gz DXMJOGUYUBPYPX-UHFFFAOYSA-N 0 3 297.359 -0.903 20 0 CAADHN CCOC(=O)[C@@H](N)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000595945676 409707265 /nfs/dbraw/zinc/70/72/65/409707265.db2.gz WEOUOVVBBSGVGL-JTQLQIEISA-N 0 3 283.332 -0.726 20 0 CAADHN COc1cncc(NC(=O)C(=O)NC[C@@H](C)N(C)C)n1 ZINC000651506690 409709251 /nfs/dbraw/zinc/70/92/51/409709251.db2.gz YTBJXHACQZMDQM-MRVPVSSYSA-N 0 3 281.316 -0.510 20 0 CAADHN CC[C@@H](N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000567902836 409709695 /nfs/dbraw/zinc/70/96/95/409709695.db2.gz LHNNYRHUUIRRPZ-SNVBAGLBSA-N 0 3 295.343 -0.582 20 0 CAADHN Cc1nc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)nn1C ZINC000332082076 409710335 /nfs/dbraw/zinc/71/03/35/409710335.db2.gz ABATZDBLBJAPNW-JTQLQIEISA-N 0 3 292.343 -0.631 20 0 CAADHN CN(C)CCn1ccc(NC(=O)N[C@@H]2CNC(=O)C2)n1 ZINC000356209440 409644469 /nfs/dbraw/zinc/64/44/69/409644469.db2.gz DLYTWJLCTZIUAU-VIFPVBQESA-N 0 3 280.332 -0.545 20 0 CAADHN CN(C)CCn1ccc(NC(=O)[C@H]2CNCCO2)n1 ZINC000430872821 409644834 /nfs/dbraw/zinc/64/48/34/409644834.db2.gz MKQWIARNGKDEBK-SNVBAGLBSA-N 0 3 267.333 -0.628 20 0 CAADHN CN(C)CCn1ccc(NC(=O)NC[C@@H](O)CO)n1 ZINC000342437321 409644949 /nfs/dbraw/zinc/64/49/49/409644949.db2.gz BEOPCKQVKBPHNS-SECBINFHSA-N 0 3 271.321 -1.081 20 0 CAADHN CN(C)CCn1ccc(NC(=O)CN2CCOCC2=O)n1 ZINC000329879093 409645487 /nfs/dbraw/zinc/64/54/87/409645487.db2.gz LUIFANMWTQRRBN-UHFFFAOYSA-N 0 3 295.343 -0.758 20 0 CAADHN CN(C)CCn1ccc(NC(=O)N[C@H]2CNC(=O)C2)n1 ZINC000356209437 409645708 /nfs/dbraw/zinc/64/57/08/409645708.db2.gz DLYTWJLCTZIUAU-SECBINFHSA-N 0 3 280.332 -0.545 20 0 CAADHN CN(C)CCn1ccc(NC(=O)N(C)C[C@H](O)CO)n1 ZINC000361820119 409645991 /nfs/dbraw/zinc/64/59/91/409645991.db2.gz WSTVGGVWJWHFFP-JTQLQIEISA-N 0 3 285.348 -0.738 20 0 CAADHN CN(C)CCn1ccc(NC(=O)[C@@H]2CNCCO2)n1 ZINC000430872820 409646601 /nfs/dbraw/zinc/64/66/01/409646601.db2.gz MKQWIARNGKDEBK-JTQLQIEISA-N 0 3 267.333 -0.628 20 0 CAADHN CN(C)CCn1ccc(NC(=O)NCCC(N)=O)n1 ZINC000438698947 409647207 /nfs/dbraw/zinc/64/72/07/409647207.db2.gz IBDSARKYWDRMFW-UHFFFAOYSA-N 0 3 268.321 -0.558 20 0 CAADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccn(C)n3)[C@@H]2C1 ZINC000645620184 409651088 /nfs/dbraw/zinc/65/10/88/409651088.db2.gz AFZSNHGEAKDXES-NXEZZACHSA-N 0 3 277.328 -0.479 20 0 CAADHN C[C@H](N)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000430725582 409651843 /nfs/dbraw/zinc/65/18/43/409651843.db2.gz XYUJESNMXZXDJO-JTQLQIEISA-N 0 3 267.333 -0.499 20 0 CAADHN CN1CC[C@@](O)(CNc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000358310062 409652320 /nfs/dbraw/zinc/65/23/20/409652320.db2.gz KNNUASNHWCOADU-GFCCVEGCSA-N 0 3 278.316 -0.453 20 0 CAADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ncn(C)n1 ZINC000332092170 409658267 /nfs/dbraw/zinc/65/82/67/409658267.db2.gz BSXYLLQLYCNEBZ-UWVGGRQHSA-N 0 3 292.343 -0.551 20 0 CAADHN CNS(=O)(=O)CCNCCC(=O)Nc1cc(C)on1 ZINC000568993212 409661261 /nfs/dbraw/zinc/66/12/61/409661261.db2.gz CQNXLDSYBIGIDJ-UHFFFAOYSA-N 0 3 290.345 -0.550 20 0 CAADHN NC(=O)Cn1ccc(NC(=O)[C@H]2CCCCN2)n1 ZINC000430291333 409661803 /nfs/dbraw/zinc/66/18/03/409661803.db2.gz UMVLILBRKUGVGE-MRVPVSSYSA-N 0 3 251.290 -0.551 20 0 CAADHN CNCC(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000430728429 409662620 /nfs/dbraw/zinc/66/26/20/409662620.db2.gz CKBRJTHNRLJZJE-UHFFFAOYSA-N 0 3 267.333 -0.627 20 0 CAADHN N[C@H]1C[C@@H]2CN(CC(=O)Nc3ccon3)CCN2C1=O ZINC000594875229 409666008 /nfs/dbraw/zinc/66/60/08/409666008.db2.gz CWYYTFAMDRXQGP-BDAKNGLRSA-N 0 3 279.300 -1.143 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000578617808 409668531 /nfs/dbraw/zinc/66/85/31/409668531.db2.gz LMWYVRTVKNWRHA-VHSXEESVSA-N 0 3 293.327 -0.972 20 0 CAADHN CNc1nc(C)cc(C(=O)N[C@@H](CO)CN(C)C)n1 ZINC000646209648 409670726 /nfs/dbraw/zinc/67/07/26/409670726.db2.gz OBMNOWXMFJDXFI-SECBINFHSA-N 0 3 267.333 -0.521 20 0 CAADHN CNc1nnc(CC(=O)NC[C@](C)(O)CN(C)C)s1 ZINC000353883940 409671118 /nfs/dbraw/zinc/67/11/18/409671118.db2.gz RPNQSJBEDBWSRG-NSHDSACASA-N 0 3 287.389 -0.449 20 0 CAADHN CNc1nc(C)cc(C(=O)N[C@H](CO)CN(C)C)n1 ZINC000646209649 409672755 /nfs/dbraw/zinc/67/27/55/409672755.db2.gz OBMNOWXMFJDXFI-VIFPVBQESA-N 0 3 267.333 -0.521 20 0 CAADHN COC(=O)Cn1ccc(NC(=O)COC2(C)CNC2)n1 ZINC000592501538 409674870 /nfs/dbraw/zinc/67/48/70/409674870.db2.gz YRZJLFZYBPVXBU-UHFFFAOYSA-N 0 3 282.300 -0.627 20 0 CAADHN COC(=O)Cn1ccc(NC(=O)[C@H]2C[C@H](OC)CN2)n1 ZINC000563155518 409680620 /nfs/dbraw/zinc/68/06/20/409680620.db2.gz NOXSGSKDLVELSE-DTWKUNHWSA-N 0 3 282.300 -0.629 20 0 CAADHN CC1(OCC(=O)NCCNc2cnccn2)CNC1 ZINC000649294467 409681305 /nfs/dbraw/zinc/68/13/05/409681305.db2.gz XGIMGPICRLMUDW-UHFFFAOYSA-N 0 3 265.317 -0.617 20 0 CAADHN COC(=O)[C@@H](O)CNCCC(=O)Nc1cc(C)on1 ZINC000575401295 409682281 /nfs/dbraw/zinc/68/22/81/409682281.db2.gz RCSDDBMCEMOVKF-QMMMGPOBSA-N 0 3 271.273 -0.565 20 0 CAADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)no1 ZINC000566495148 409684291 /nfs/dbraw/zinc/68/42/91/409684291.db2.gz DCMPGVYWJWQIGH-VHSXEESVSA-N 0 3 293.327 -0.835 20 0 CAADHN Cc1cc(NC(=O)CCNCCNS(C)(=O)=O)no1 ZINC000578998678 409685970 /nfs/dbraw/zinc/68/59/70/409685970.db2.gz YEVRMZTXEKLPRT-UHFFFAOYSA-N 0 3 290.345 -0.550 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000665528741 409686727 /nfs/dbraw/zinc/68/67/27/409686727.db2.gz KWQFXIHKQSOZIL-LLVKDONJSA-N 0 3 283.376 -1.284 20 0 CAADHN Cc1cc(NC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)no1 ZINC000559640207 409686959 /nfs/dbraw/zinc/68/69/59/409686959.db2.gz PMGJLCYLTPBIPG-UWVGGRQHSA-N 0 3 268.317 -0.472 20 0 CAADHN COCCn1ccc(NC(=O)C(=O)N(C)CCN(C)C)n1 ZINC000342043258 409689789 /nfs/dbraw/zinc/68/97/89/409689789.db2.gz GXCYWDGMUOFYBL-UHFFFAOYSA-N 0 3 297.359 -0.512 20 0 CAADHN CCN(C)CCNc1ccc(C(=O)NCCO)nn1 ZINC000359497812 409690629 /nfs/dbraw/zinc/69/06/29/409690629.db2.gz PJDHHGSJBMNMQC-UHFFFAOYSA-N 0 3 267.333 -0.438 20 0 CAADHN COCCn1ccc(NC(=O)COC2CNC2)n1 ZINC000430235829 409691141 /nfs/dbraw/zinc/69/11/41/409691141.db2.gz FOJUSDCPUBCROW-UHFFFAOYSA-N 0 3 254.290 -0.544 20 0 CAADHN COCCn1ccc(NC(=O)C(=O)N[C@H](C)CN(C)C)n1 ZINC000357604089 409691172 /nfs/dbraw/zinc/69/11/72/409691172.db2.gz MFUYJJSAIMFILP-SNVBAGLBSA-N 0 3 297.359 -0.466 20 0 CAADHN COCCN(C)C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448497875 409692097 /nfs/dbraw/zinc/69/20/97/409692097.db2.gz XIDWQFWDCGVFJO-UHFFFAOYSA-N 0 3 297.359 -0.512 20 0 CAADHN C[C@@H](NC(=O)Nc1ccn(CCN(C)C)n1)C(N)=O ZINC000438704707 409720763 /nfs/dbraw/zinc/72/07/63/409720763.db2.gz IZIUDECAUNYINV-MRVPVSSYSA-N 0 3 268.321 -0.560 20 0 CAADHN COCCN(CCN(C)C)C(=O)Cn1cnc(N)n1 ZINC000630934044 409729208 /nfs/dbraw/zinc/72/92/08/409729208.db2.gz WXCWXWSSVZAXRC-UHFFFAOYSA-N 0 3 270.337 -1.103 20 0 CAADHN COCCN(C)CCNC(=O)NCCc1nc(N)no1 ZINC000438031036 409729380 /nfs/dbraw/zinc/72/93/80/409729380.db2.gz YGAWQSXUMJVUDU-UHFFFAOYSA-N 0 3 286.336 -0.928 20 0 CAADHN COCCN(C)CCCNC(=O)Cn1cnc(N)n1 ZINC000630732721 409730282 /nfs/dbraw/zinc/73/02/82/409730282.db2.gz GYGZRHKQSQHQJO-UHFFFAOYSA-N 0 3 270.337 -1.055 20 0 CAADHN CN(C)c1nc(N)nc(CN2CC[C@H]3OCCN[C@H]3C2)n1 ZINC000404078434 409730605 /nfs/dbraw/zinc/73/06/05/409730605.db2.gz OHFGVKYFDKEGKK-VHSXEESVSA-N 0 3 293.375 -0.918 20 0 CAADHN COCc1ncc(C(=O)NC[C@]2(O)CCN(C)C2)c(N)n1 ZINC000356076876 409734106 /nfs/dbraw/zinc/73/41/06/409734106.db2.gz KTJVEZGCPFIQJT-CYBMUJFWSA-N 0 3 295.343 -0.998 20 0 CAADHN C[C@H](N)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000353212136 409744957 /nfs/dbraw/zinc/74/49/57/409744957.db2.gz KHKZFOMMFDBLKI-LURJTMIESA-N 0 3 256.335 -0.884 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ncn(C)n1 ZINC000646412521 409719242 /nfs/dbraw/zinc/71/92/42/409719242.db2.gz QQKAMROSZDLMRM-SECBINFHSA-N 0 3 295.347 -0.601 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000562879508 409719777 /nfs/dbraw/zinc/71/97/77/409719777.db2.gz NBNLGGKKUGWLSN-VIFPVBQESA-N 0 3 297.363 -0.562 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001195691107 782013327 /nfs/dbraw/zinc/01/33/27/782013327.db2.gz GVWLUKTWIDTANO-OPRDCNLKSA-N 0 3 286.332 -2.134 20 0 CAADHN COCCN1CCN(C(=O)[C@H]2C[C@H](OC)CN2)CC1=O ZINC000365173438 292538160 /nfs/dbraw/zinc/53/81/60/292538160.db2.gz UHLSJLLVMRJWKT-WDEREUQCSA-N 0 3 285.344 -1.320 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001195789413 782016412 /nfs/dbraw/zinc/01/64/12/782016412.db2.gz GJVJDROLHRITKZ-HBNTYKKESA-N 0 3 297.355 -1.550 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001195753514 782017048 /nfs/dbraw/zinc/01/70/48/782017048.db2.gz NGFBHOWTCVMKEM-NXEZZACHSA-N 0 3 293.389 -1.375 20 0 CAADHN COC[C@@H](O)CN1CCCN(C(=O)Cn2ncnn2)CC1 ZINC001195865596 782019282 /nfs/dbraw/zinc/01/92/82/782019282.db2.gz MKCLRUHIKSNCBU-NSHDSACASA-N 0 3 298.347 -1.785 20 0 CAADHN COC[C@H](O)CN1CCCN(C(=O)Cn2ncnn2)CC1 ZINC001195865595 782019727 /nfs/dbraw/zinc/01/97/27/782019727.db2.gz MKCLRUHIKSNCBU-LLVKDONJSA-N 0 3 298.347 -1.785 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN(C)CCOC ZINC000575132722 335070709 /nfs/dbraw/zinc/07/07/09/335070709.db2.gz JIKYBCUPVMFCJX-UHFFFAOYSA-N 0 3 282.366 -2.265 20 0 CAADHN NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000011956807 170461980 /nfs/dbraw/zinc/46/19/80/170461980.db2.gz TVKNJIBIOICJKS-UHFFFAOYSA-N 0 3 257.315 -1.049 20 0 CAADHN O=S(=O)(NCCN1CCOCC1)N1CCNCC1 ZINC000020247689 171101212 /nfs/dbraw/zinc/10/12/12/171101212.db2.gz FFBDXMDPPCIQHN-UHFFFAOYSA-N 0 3 278.378 -1.942 20 0 CAADHN COCCNCC(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000186682810 292558595 /nfs/dbraw/zinc/55/85/95/292558595.db2.gz OCMREDDBMVEYBP-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN NC(=O)[C@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000020521288 171234318 /nfs/dbraw/zinc/23/43/18/171234318.db2.gz LKNLCFGLJWUEOB-JTQLQIEISA-N 0 3 254.334 -1.385 20 0 CAADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O)N(C)C ZINC001195980868 782020657 /nfs/dbraw/zinc/02/06/57/782020657.db2.gz IRVARVSIIYDOOQ-CKYFFXLPSA-N 0 3 286.376 -1.781 20 0 CAADHN Cn1nc(N[C@H]2CN3CCC2CC3)c(=O)n(C)c1=O ZINC000035179376 172032820 /nfs/dbraw/zinc/03/28/20/172032820.db2.gz ZGGPZKMFBVFXJL-VIFPVBQESA-N 0 3 265.317 -1.015 20 0 CAADHN CCN(CCCNC(=O)CNC)S(C)(=O)=O ZINC000038035899 174034836 /nfs/dbraw/zinc/03/48/36/174034836.db2.gz LVULZGLZDIRTPT-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN CS(=O)(=O)CCCNC(=O)CN1CCNCC1 ZINC000038048234 174059024 /nfs/dbraw/zinc/05/90/24/174059024.db2.gz QYLAIJBOSLPVJX-UHFFFAOYSA-N 0 3 263.363 -1.558 20 0 CAADHN O[C@@H](CNC[C@H]1COCCO1)CN1CCOCC1 ZINC000038061489 174072437 /nfs/dbraw/zinc/07/24/37/174072437.db2.gz CJIANQUDIDEXLN-RYUDHWBXSA-N 0 3 260.334 -1.316 20 0 CAADHN NS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000038101481 174116770 /nfs/dbraw/zinc/11/67/70/174116770.db2.gz HNPJSJKCLSNBSH-VIFPVBQESA-N 0 3 276.362 -1.524 20 0 CAADHN CC(C)[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101497 174116948 /nfs/dbraw/zinc/11/69/48/174116948.db2.gz JOJPBLAEPXIYSL-QMMMGPOBSA-N 0 3 264.351 -1.683 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101504 174117195 /nfs/dbraw/zinc/11/71/95/174117195.db2.gz GBFMPNSIXKAZKF-IUCAKERBSA-N 0 3 278.378 -1.293 20 0 CAADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCNC(=O)C2)[C@H]1CN ZINC000423732614 287323246 /nfs/dbraw/zinc/32/32/46/287323246.db2.gz MTPWNKGJOQSXGX-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCC(=O)NC2CC2)CC1=O ZINC000344301893 225021701 /nfs/dbraw/zinc/02/17/01/225021701.db2.gz ZCIZGKRZIDVUAP-JTQLQIEISA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCCC(N)=O)CC1=O ZINC000344539756 225081906 /nfs/dbraw/zinc/08/19/06/225081906.db2.gz JHKDEIXOURZQBU-SNVBAGLBSA-N 0 3 284.360 -1.222 20 0 CAADHN C[C@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)C ZINC000344779687 225166492 /nfs/dbraw/zinc/16/64/92/225166492.db2.gz IYGCGERRVXYAHA-MRVPVSSYSA-N 0 3 251.352 -1.056 20 0 CAADHN OC[C@H]1CC[C@@H](CO)N1C[C@H](O)CN1CCOCC1 ZINC000347291671 226096052 /nfs/dbraw/zinc/09/60/52/226096052.db2.gz BLBXGPPVVSSCPC-FRRDWIJNSA-N 0 3 274.361 -1.503 20 0 CAADHN OC[C@H]1CC[C@@H](CO)N1C[C@@H](O)CN1CCOCC1 ZINC000347291674 226096736 /nfs/dbraw/zinc/09/67/36/226096736.db2.gz BLBXGPPVVSSCPC-XQQFMLRXSA-N 0 3 274.361 -1.503 20 0 CAADHN CN(C)[C@@]1(CNC(=O)CNC(=O)CN)CCSC1 ZINC000347606563 226199278 /nfs/dbraw/zinc/19/92/78/226199278.db2.gz ALHIDWYLHIBZML-LLVKDONJSA-N 0 3 274.390 -1.385 20 0 CAADHN COCCCN(C)CCNC(=O)CNC(=O)CN ZINC000347628947 226205915 /nfs/dbraw/zinc/20/59/15/226205915.db2.gz ZKXGUPLYTPPWOG-UHFFFAOYSA-N 0 3 260.338 -1.854 20 0 CAADHN C[C@@H](O)CN1CCN(C(=O)CNC(=O)CN)C[C@@H]1C ZINC000347671985 226218133 /nfs/dbraw/zinc/21/81/33/226218133.db2.gz BEMALLDSBLYXTJ-VHSXEESVSA-N 0 3 272.349 -2.025 20 0 CAADHN CN(C(=O)CNC(=O)CN)[C@H]1CCN(C2CC2)C1 ZINC000347660910 226229646 /nfs/dbraw/zinc/22/96/46/226229646.db2.gz UIKRKGGNCWDBBB-JTQLQIEISA-N 0 3 254.334 -1.244 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2C[C@@H](O)C[C@@H]2CO)CC1=O ZINC000347735618 226233669 /nfs/dbraw/zinc/23/36/69/226233669.db2.gz QWEGMXBAPFOKRL-UTUOFQBUSA-N 0 3 299.371 -1.649 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)CNC(=O)CN ZINC000347694086 226236614 /nfs/dbraw/zinc/23/66/14/226236614.db2.gz QQRKXEVBPCUHJO-JTQLQIEISA-N 0 3 272.349 -1.712 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CNC(=O)CN ZINC000347701058 226239061 /nfs/dbraw/zinc/23/90/61/226239061.db2.gz TVCSAKVSKALBTK-SCZZXKLOSA-N 0 3 254.334 -1.340 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CNC(=O)CN ZINC000347700967 226239701 /nfs/dbraw/zinc/23/97/01/226239701.db2.gz TVCSAKVSKALBTK-PSASIEDQSA-N 0 3 254.334 -1.340 20 0 CAADHN CN(C)CCN1CCN(C(=O)C2(NC(N)=O)CC2)CC1 ZINC000347819340 226381112 /nfs/dbraw/zinc/38/11/12/226381112.db2.gz DKXNSZDBADXART-UHFFFAOYSA-N 0 3 283.376 -1.107 20 0 CAADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCNC(=O)C2)CCN1C ZINC000347977765 226397418 /nfs/dbraw/zinc/39/74/18/226397418.db2.gz OUMKAUOSPOFCNH-VHSXEESVSA-N 0 3 282.344 -1.456 20 0 CAADHN NC(=O)NC(=O)CCN1CCC[C@]12CCNC2=O ZINC000575192831 335078703 /nfs/dbraw/zinc/07/87/03/335078703.db2.gz OOTCFNIWSVXRRC-LLVKDONJSA-N 0 3 254.290 -1.074 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000354796570 227116863 /nfs/dbraw/zinc/11/68/63/227116863.db2.gz RYMIBIMIYSBWDS-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@@H](O)CN1CCN(C(=O)[C@@H]2CNCCO2)C[C@H]1C ZINC000167991980 533682485 /nfs/dbraw/zinc/68/24/85/533682485.db2.gz LGMNDKZYDVBLJE-UTUOFQBUSA-N 0 3 271.361 -1.112 20 0 CAADHN C[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000352696975 227165360 /nfs/dbraw/zinc/16/53/60/227165360.db2.gz VCSANBSEMDIKSN-NXEZZACHSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000352696978 227166192 /nfs/dbraw/zinc/16/61/92/227166192.db2.gz VCSANBSEMDIKSN-ZJUUUORDSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCc2ncn(C)n2)CC1=O ZINC000352766758 227202745 /nfs/dbraw/zinc/20/27/45/227202745.db2.gz YYEBOHVNKNZNET-SNVBAGLBSA-N 0 3 294.359 -1.159 20 0 CAADHN CC[C@H](C(=O)NCCNS(C)(=O)=O)N(C)C ZINC000177954045 287490858 /nfs/dbraw/zinc/49/08/58/287490858.db2.gz MMWBLCCIRDSYOO-MRVPVSSYSA-N 0 3 251.352 -1.008 20 0 CAADHN CO[C@H](CN)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000353429955 228100730 /nfs/dbraw/zinc/10/07/30/228100730.db2.gz VHJDLFLTNXPXTP-SNVBAGLBSA-N 0 3 272.349 -1.760 20 0 CAADHN COCCN(CCO)Cc1cn(C)c(=O)n(C)c1=O ZINC000353449703 228104507 /nfs/dbraw/zinc/10/45/07/228104507.db2.gz RMRGBMPFNVJVGM-UHFFFAOYSA-N 0 3 271.317 -1.475 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000353467513 228106485 /nfs/dbraw/zinc/10/64/85/228106485.db2.gz LRBWORLGJDSAIN-SNVBAGLBSA-N 0 3 283.332 -1.004 20 0 CAADHN CO[C@H](CN)C(=O)NCCC(=O)Nc1ccncc1 ZINC000353475553 228107802 /nfs/dbraw/zinc/10/78/02/228107802.db2.gz YCRBHCYETHQBDT-SNVBAGLBSA-N 0 3 266.301 -1.078 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000353509939 228112241 /nfs/dbraw/zinc/11/22/41/228112241.db2.gz IFSLFZCODPBTJM-LLVKDONJSA-N 0 3 284.360 -1.617 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CCOC[C@@H](O)C2)CC1=O ZINC000331676588 228118642 /nfs/dbraw/zinc/11/86/42/228118642.db2.gz SSLNZGDRLRFMOW-RYUDHWBXSA-N 0 3 299.371 -1.384 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000353149308 228064112 /nfs/dbraw/zinc/06/41/12/228064112.db2.gz HUCMVXSVDUMYFZ-SNVBAGLBSA-N 0 3 298.343 -2.091 20 0 CAADHN NC(C(=O)NCCCN1C(=O)CNC1=O)C(F)(F)F ZINC000353164800 228064951 /nfs/dbraw/zinc/06/49/51/228064951.db2.gz GGAPQHKHJPNDRJ-ZCFIWIBFSA-N 0 3 282.222 -1.066 20 0 CAADHN C[C@H](O)CN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000330315502 228138077 /nfs/dbraw/zinc/13/80/77/228138077.db2.gz PRJUXVPGYMOHAN-KBPBESRZSA-N 0 3 296.415 -1.099 20 0 CAADHN COCC(=O)NC1CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000356148850 228140074 /nfs/dbraw/zinc/14/00/74/228140074.db2.gz SVANZSIWMQTRKT-SSDOTTSWSA-N 0 3 278.330 -1.607 20 0 CAADHN COCC(=O)NC1CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000356148854 228140185 /nfs/dbraw/zinc/14/01/85/228140185.db2.gz SVANZSIWMQTRKT-ZETCQYMHSA-N 0 3 278.330 -1.607 20 0 CAADHN COCCN(C)CCNC(=O)N[C@H](CO)COC ZINC000353738844 228148869 /nfs/dbraw/zinc/14/88/69/228148869.db2.gz KZGJNEQYYPGSEM-SNVBAGLBSA-N 0 3 263.338 -1.129 20 0 CAADHN O=C(NC[C@H]1COCCO1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332173172 228150980 /nfs/dbraw/zinc/15/09/80/228150980.db2.gz SOGJBTYOVULLGJ-NEPJUHHUSA-N 0 3 297.355 -1.175 20 0 CAADHN O=C(NC[C@@H]1COCCO1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332173178 228150991 /nfs/dbraw/zinc/15/09/91/228150991.db2.gz SOGJBTYOVULLGJ-VXGBXAGGSA-N 0 3 297.355 -1.175 20 0 CAADHN O=C(NC[C@@H]1COCCO1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332173174 228151199 /nfs/dbraw/zinc/15/11/99/228151199.db2.gz SOGJBTYOVULLGJ-NWDGAFQWSA-N 0 3 297.355 -1.175 20 0 CAADHN C[C@@H]1CN[C@@H](C)CN1C(=O)NCCN1CCNC(=O)C1 ZINC000333658923 228209065 /nfs/dbraw/zinc/20/90/65/228209065.db2.gz WTAMPOXGYCVTQC-WDEREUQCSA-N 0 3 283.376 -1.190 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000353793260 228153938 /nfs/dbraw/zinc/15/39/38/228153938.db2.gz PRIJLQNNVYBNMD-RYUDHWBXSA-N 0 3 298.387 -1.275 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000353793261 228153996 /nfs/dbraw/zinc/15/39/96/228153996.db2.gz PRIJLQNNVYBNMD-VXGBXAGGSA-N 0 3 298.387 -1.275 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)CC1 ZINC000353793258 228154050 /nfs/dbraw/zinc/15/40/50/228154050.db2.gz PRIJLQNNVYBNMD-NEPJUHHUSA-N 0 3 298.387 -1.275 20 0 CAADHN O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCNC(=O)C1 ZINC000332596386 228163794 /nfs/dbraw/zinc/16/37/94/228163794.db2.gz BRVWZMJKVPUWGL-JTQLQIEISA-N 0 3 280.328 -1.749 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC(=O)N1 ZINC000332621786 228164225 /nfs/dbraw/zinc/16/42/25/228164225.db2.gz NXVVAVFQXMAZLS-WDEREUQCSA-N 0 3 294.355 -1.360 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332658383 228164648 /nfs/dbraw/zinc/16/46/48/228164648.db2.gz OYYUOUQEUNLRLD-MNOVXSKESA-N 0 3 294.355 -1.360 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000332675796 228164983 /nfs/dbraw/zinc/16/49/83/228164983.db2.gz GMHRTPFKLQJFRK-GFCCVEGCSA-N 0 3 298.387 -1.451 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)C(=O)NCC1CC1 ZINC000351953094 228168422 /nfs/dbraw/zinc/16/84/22/228168422.db2.gz AUTJRZKTYCOERL-GFCCVEGCSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)CC[C@@](C)(O)CNC(=O)CN(C)S(C)(=O)=O ZINC000352111019 228183615 /nfs/dbraw/zinc/18/36/15/228183615.db2.gz HXILBBGBRWQSCY-LLVKDONJSA-N 0 3 295.405 -1.303 20 0 CAADHN COCC1(O)CN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000333140204 228191030 /nfs/dbraw/zinc/19/10/30/228191030.db2.gz YONTXYPBRMEHQZ-LLVKDONJSA-N 0 3 269.345 -1.404 20 0 CAADHN COCC1(O)CN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000333140206 228191125 /nfs/dbraw/zinc/19/11/25/228191125.db2.gz YONTXYPBRMEHQZ-NSHDSACASA-N 0 3 269.345 -1.404 20 0 CAADHN CN(C)CCN1CCN(C(=O)C2(CO)COC2)CC1 ZINC000333173564 228192071 /nfs/dbraw/zinc/19/20/71/228192071.db2.gz KVGBNSQMEFMMOW-UHFFFAOYSA-N 0 3 271.361 -1.299 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000333387203 228199258 /nfs/dbraw/zinc/19/92/58/228199258.db2.gz YKJJVMUFDUEABJ-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)[C@H]1CN2CCN1CCC2 ZINC000333734179 228211622 /nfs/dbraw/zinc/21/16/22/228211622.db2.gz KKESKIYAVVCWRW-QJPTWQEYSA-N 0 3 269.345 -1.094 20 0 CAADHN CCN(C)C(=O)CN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001196093472 782026570 /nfs/dbraw/zinc/02/65/70/782026570.db2.gz MMQNAMMGXTZGJU-HTQZYQBOSA-N 0 3 256.306 -2.017 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001196139503 782027398 /nfs/dbraw/zinc/02/73/98/782027398.db2.gz WGAWZGDATJEOIS-JTNHKYCSSA-N 0 3 299.371 -1.290 20 0 CAADHN CC(C(=O)N1CCN(CCO)[C@H](C)C1)S(C)(=O)=O ZINC000188735318 230204276 /nfs/dbraw/zinc/20/42/76/230204276.db2.gz VXALKYMGIKDEPV-NXEZZACHSA-N 0 3 278.374 -1.056 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)[C@H]1C[C@H](OC)CN1 ZINC000040636541 230155323 /nfs/dbraw/zinc/15/53/23/230155323.db2.gz HAKGXZZYSPIVGW-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CN(C)CCN(C)C(=O)CN(C)S(C)(=O)=O ZINC000080391992 230162529 /nfs/dbraw/zinc/16/25/29/230162529.db2.gz DDSUEIDEFYGEBB-UHFFFAOYSA-N 0 3 251.352 -1.102 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001196139499 782026890 /nfs/dbraw/zinc/02/68/90/782026890.db2.gz WGAWZGDATJEOIS-GYSYKLTISA-N 0 3 299.371 -1.290 20 0 CAADHN COCCS(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C ZINC000161440665 230184193 /nfs/dbraw/zinc/18/41/93/230184193.db2.gz PPXCJOIDGZCAJJ-SECBINFHSA-N 0 3 254.352 -1.135 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)CN1CCNCC1=O ZINC000167265896 230187739 /nfs/dbraw/zinc/18/77/39/230187739.db2.gz SWUIXJMRAAYRQS-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000172752477 230188388 /nfs/dbraw/zinc/18/83/88/230188388.db2.gz AFFTYCLKMMXDRI-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN CN(C)C[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)CCO1 ZINC000171636259 230190629 /nfs/dbraw/zinc/19/06/29/230190629.db2.gz IBAJEBXAHKGRHN-GFCCVEGCSA-N 0 3 296.371 -1.154 20 0 CAADHN CN(C)CCN(C)C(=O)NCCNS(C)(=O)=O ZINC000176192461 230191382 /nfs/dbraw/zinc/19/13/82/230191382.db2.gz PBWVPQWEYWHNLX-UHFFFAOYSA-N 0 3 266.367 -1.261 20 0 CAADHN C[C@H](N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803640 230193728 /nfs/dbraw/zinc/19/37/28/230193728.db2.gz AHNYRQQTGOUYIK-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC000179481347 230199889 /nfs/dbraw/zinc/19/98/89/230199889.db2.gz QZDFFSKKINOQSP-NSHDSACASA-N 0 3 297.359 -1.191 20 0 CAADHN C[C@@H](O)CN1CCN(C(=O)[C@H]2CNCCO2)C[C@H]1C ZINC000188187291 230203653 /nfs/dbraw/zinc/20/36/53/230203653.db2.gz LGMNDKZYDVBLJE-IJLUTSLNSA-N 0 3 271.361 -1.112 20 0 CAADHN COCCCN(CCO)Cc1cc(=O)n(C)c(=O)n1C ZINC000189898663 230206953 /nfs/dbraw/zinc/20/69/53/230206953.db2.gz BKPHIOXYLNGITA-UHFFFAOYSA-N 0 3 285.344 -1.085 20 0 CAADHN COC[C@@H](CNC(=O)CN(C)C)NC(=O)CN(C)C ZINC000190006743 230207280 /nfs/dbraw/zinc/20/72/80/230207280.db2.gz RBYCLFXSJVWQLN-SNVBAGLBSA-N 0 3 274.365 -1.643 20 0 CAADHN C[C@@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)CCN1CCO ZINC000190241549 230208441 /nfs/dbraw/zinc/20/84/41/230208441.db2.gz RPQZUROPFDISDY-LLVKDONJSA-N 0 3 296.371 -1.418 20 0 CAADHN C[C@H](N)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000195137575 230209979 /nfs/dbraw/zinc/20/99/79/230209979.db2.gz RZPTWMTYYRTBOI-VIFPVBQESA-N 0 3 254.334 -1.244 20 0 CAADHN C[C@H]1OCCN[C@@H]1C(=O)NCCN1CCN(C)CC1 ZINC000262133205 230223483 /nfs/dbraw/zinc/22/34/83/230223483.db2.gz GQUYGJYLEXHHGX-NEPJUHHUSA-N 0 3 270.377 -1.273 20 0 CAADHN O=C(CCN1CCO[C@@H](CO)C1)N1CCNCC1 ZINC000262138876 230224474 /nfs/dbraw/zinc/22/44/74/230224474.db2.gz OMUHNYGRHNUGAN-LLVKDONJSA-N 0 3 257.334 -1.499 20 0 CAADHN C[C@H](N)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000262553101 230230143 /nfs/dbraw/zinc/23/01/43/230230143.db2.gz ZOKQQGRTUYIYKI-QMMMGPOBSA-N 0 3 281.403 -1.172 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NCCNCCOC ZINC000262640474 230231148 /nfs/dbraw/zinc/23/11/48/230231148.db2.gz HQHZQJHYNIBBPX-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C[C@H](O)CN(C)C1CC1 ZINC000339366083 230238621 /nfs/dbraw/zinc/23/86/21/230238621.db2.gz YCGXFECFKZJCLM-MNOVXSKESA-N 0 3 259.350 -1.126 20 0 CAADHN NC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000419182450 230251377 /nfs/dbraw/zinc/25/13/77/230251377.db2.gz ZLAKIXVDMIOFER-KOLCDFICSA-N 0 3 294.355 -1.184 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000419182451 230251996 /nfs/dbraw/zinc/25/19/96/230251996.db2.gz ZLAKIXVDMIOFER-MWLCHTKSSA-N 0 3 294.355 -1.184 20 0 CAADHN C[C@@H]1CNCCN1C(=O)C(=O)NCCOCCN(C)C ZINC000419754904 230256518 /nfs/dbraw/zinc/25/65/18/230256518.db2.gz BIGZNXFJNBOJRD-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN N[C@@H](CNC(=O)C(=O)N1CCNC(=O)C1)c1ccccc1 ZINC000419923403 230257550 /nfs/dbraw/zinc/25/75/50/230257550.db2.gz GOMZAHYROIDYSH-NSHDSACASA-N 0 3 290.323 -1.239 20 0 CAADHN COCCCOC1CN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000419994248 230259608 /nfs/dbraw/zinc/25/96/08/230259608.db2.gz GPFJHIHQGQOQRZ-SECBINFHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420076159 230260497 /nfs/dbraw/zinc/26/04/97/230260497.db2.gz VJGMGNOSKPJRSE-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN COCCN1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000420065393 230260600 /nfs/dbraw/zinc/26/06/00/230260600.db2.gz PSWNDUOMBYUMNK-LBPRGKRZSA-N 0 3 298.387 -1.370 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422143552 230266547 /nfs/dbraw/zinc/26/65/47/230266547.db2.gz RPZQMQRTDGWKLP-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN COCCCN(CCOC)C(=O)C(=O)N(C)CCN ZINC000423172126 230268790 /nfs/dbraw/zinc/26/87/90/230268790.db2.gz RLJBDVAEMKRQGQ-UHFFFAOYSA-N 0 3 275.349 -1.085 20 0 CAADHN C[C@@H]1CNCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000423612853 230273351 /nfs/dbraw/zinc/27/33/51/230273351.db2.gz UYIYFESBWFHPDU-SNVBAGLBSA-N 0 3 256.350 -1.173 20 0 CAADHN Cc1cc(CN)cc(NC(=O)C(=O)N2C[C@@H](O)[C@@H](O)C2)c1 ZINC000424472766 230280921 /nfs/dbraw/zinc/28/09/21/230280921.db2.gz VNOLAGNMMUIAMY-TXEJJXNPSA-N 0 3 293.323 -1.044 20 0 CAADHN Cc1cc(CN)cc(NC(=O)C(=O)N2C[C@H](O)[C@@H](O)C2)c1 ZINC000424472757 230281969 /nfs/dbraw/zinc/28/19/69/230281969.db2.gz VNOLAGNMMUIAMY-RYUDHWBXSA-N 0 3 293.323 -1.044 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424553105 230284411 /nfs/dbraw/zinc/28/44/11/230284411.db2.gz YXHNFFBSQFYRMP-NXEZZACHSA-N 0 3 280.332 -1.095 20 0 CAADHN COCCN(CCN(C)C)C(=O)NCc1nnn(C)n1 ZINC000427125817 230290459 /nfs/dbraw/zinc/29/04/59/230290459.db2.gz HTYBSQLBQPZBJB-UHFFFAOYSA-N 0 3 285.352 -1.070 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CCC[NH2+]2)c(=O)[n-]c1=O ZINC000429085670 230297425 /nfs/dbraw/zinc/29/74/25/230297425.db2.gz CVFIPDJLKVPCIF-SSDOTTSWSA-N 0 3 252.274 -1.032 20 0 CAADHN C[C@](C[NH3+])(NC(=O)CN1CC(=O)[N-]C1=O)C1CC1 ZINC000429227515 230297444 /nfs/dbraw/zinc/29/74/44/230297444.db2.gz NYQRYKHYTJQQPM-LLVKDONJSA-N 0 3 254.290 -1.218 20 0 CAADHN [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000429176962 230298200 /nfs/dbraw/zinc/29/82/00/230298200.db2.gz PZZFOMHNRHRQRD-SFYZADRCSA-N 0 3 254.290 -1.218 20 0 CAADHN NS(=O)(=O)c1cccc(CNC(=O)COC2CNC2)c1 ZINC000429686616 230299011 /nfs/dbraw/zinc/29/90/11/230299011.db2.gz OZBQAHOPPVHVJU-UHFFFAOYSA-N 0 3 299.352 -1.061 20 0 CAADHN NCC(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000430769424 230307417 /nfs/dbraw/zinc/30/74/17/230307417.db2.gz UYGJFYMRHYMKRD-SNVBAGLBSA-N 0 3 270.333 -2.006 20 0 CAADHN O=C(CN1CCN(C(=O)COC2CNC2)CC1)NC1CC1 ZINC000430832763 230307441 /nfs/dbraw/zinc/30/74/41/230307441.db2.gz IZFTXUHGVWRCFE-UHFFFAOYSA-N 0 3 296.371 -1.602 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCCO)CC1=O ZINC000432698455 230313706 /nfs/dbraw/zinc/31/37/06/230313706.db2.gz UXZJONTWYJVCPV-JTQLQIEISA-N 0 3 257.334 -1.105 20 0 CAADHN C[C@H](CNC(=O)CN1CCNCC1=O)N1CCN(C)CC1 ZINC000431007732 230311277 /nfs/dbraw/zinc/31/12/77/230311277.db2.gz WHEQGWJGWPWYQG-GFCCVEGCSA-N 0 3 297.403 -1.830 20 0 CAADHN CN(C)CC[C@@](C)(O)CNC(=O)CN1CN=NC1=O ZINC000431376943 230312222 /nfs/dbraw/zinc/31/22/22/230312222.db2.gz GULSXEDIDUZZDU-LLVKDONJSA-N 0 3 271.321 -1.197 20 0 CAADHN CN(C)CC[C@](C)(O)CNC(=O)CN1CN=NC1=O ZINC000431376944 230312338 /nfs/dbraw/zinc/31/23/38/230312338.db2.gz GULSXEDIDUZZDU-NSHDSACASA-N 0 3 271.321 -1.197 20 0 CAADHN NCC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000430999536 230312600 /nfs/dbraw/zinc/31/26/00/230312600.db2.gz LQAPNIIYJRKGPD-UHFFFAOYSA-N 0 3 264.333 -1.327 20 0 CAADHN O[C@H](COCC(F)(F)F)CN1C[C@@H](O)[C@H](O)C1 ZINC000432810287 230314286 /nfs/dbraw/zinc/31/42/86/230314286.db2.gz VFVLTLLTHYSRSI-XLPZGREQSA-N 0 3 259.224 -1.036 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCCO)CC1=O ZINC000432698456 230315738 /nfs/dbraw/zinc/31/57/38/230315738.db2.gz UXZJONTWYJVCPV-SNVBAGLBSA-N 0 3 257.334 -1.105 20 0 CAADHN C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000433709263 230316339 /nfs/dbraw/zinc/31/63/39/230316339.db2.gz VIALYCLJZZIPMT-UWVGGRQHSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@H](CO)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000433709265 230317584 /nfs/dbraw/zinc/31/75/84/230317584.db2.gz VIALYCLJZZIPMT-ZJUUUORDSA-N 0 3 257.334 -1.107 20 0 CAADHN O=C(C[C@H]1CSCCN1)NCCN1C(=O)CNC1=O ZINC000434862936 230318002 /nfs/dbraw/zinc/31/80/02/230318002.db2.gz AHOXPHSGYNXLCZ-QMMMGPOBSA-N 0 3 286.357 -1.251 20 0 CAADHN C[C@H]1NCCN(C(=O)CN2CCNCC2=O)[C@H]1C ZINC000434668763 230318472 /nfs/dbraw/zinc/31/84/72/230318472.db2.gz COFJDCHLYGKEDL-ZJUUUORDSA-N 0 3 254.334 -1.373 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)C[C@@H]2CSCCN2)CCO1 ZINC000434870104 230318483 /nfs/dbraw/zinc/31/84/83/230318483.db2.gz AWUJCKBEPLKPTD-BDAKNGLRSA-N 0 3 273.358 -1.206 20 0 CAADHN O=C(C[C@@H]1CSCCN1)NCCN1C(=O)CNC1=O ZINC000434862935 230319134 /nfs/dbraw/zinc/31/91/34/230319134.db2.gz AHOXPHSGYNXLCZ-MRVPVSSYSA-N 0 3 286.357 -1.251 20 0 CAADHN CN(C)CCn1nccc1NC(=O)NC[C@H](O)CO ZINC000436492395 230321290 /nfs/dbraw/zinc/32/12/90/230321290.db2.gz ZODTWSYDDJGBFB-VIFPVBQESA-N 0 3 271.321 -1.081 20 0 CAADHN CN(C)C1(CN(C)C(=O)[C@@H](CO)NC(N)=O)CCC1 ZINC000438601259 230322242 /nfs/dbraw/zinc/32/22/42/230322242.db2.gz AXIOVQBDSQHHAN-SECBINFHSA-N 0 3 272.349 -1.042 20 0 CAADHN CN(C)CCOCCNC(=O)CN1CN=NC1=O ZINC000444289135 230334676 /nfs/dbraw/zinc/33/46/76/230334676.db2.gz NCAUOBOHGOMSKK-UHFFFAOYSA-N 0 3 257.294 -1.322 20 0 CAADHN O=C(CN1CN=NC1=O)NC[C@H](O)CN1CCCCC1 ZINC000444239565 230335772 /nfs/dbraw/zinc/33/57/72/230335772.db2.gz OOTZWAKLAZPFRH-JTQLQIEISA-N 0 3 283.332 -1.053 20 0 CAADHN CO[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1O ZINC000456381984 230348583 /nfs/dbraw/zinc/34/85/83/230348583.db2.gz VXZXLJXAZJQQNV-QJPTWQEYSA-N 0 3 299.371 -1.385 20 0 CAADHN COCC1(O)CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000456074661 230349263 /nfs/dbraw/zinc/34/92/63/230349263.db2.gz DIMNMUHCYVGRNC-LLVKDONJSA-N 0 3 299.371 -1.384 20 0 CAADHN C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC(=O)N1 ZINC000456190796 230350435 /nfs/dbraw/zinc/35/04/35/230350435.db2.gz NOTBBTYICDLJLM-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NCCN(C)CCOC ZINC000487303253 230356409 /nfs/dbraw/zinc/35/64/09/230356409.db2.gz VMOHXGPWNFGNKA-UHFFFAOYSA-N 0 3 295.405 -1.038 20 0 CAADHN CN(C)CCNC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000491186206 230360033 /nfs/dbraw/zinc/36/00/33/230360033.db2.gz NDSOFMVKCMFYGA-WAYWQWQTSA-N 0 3 280.328 -1.225 20 0 CAADHN CN(C)C/C=C\C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000491902132 230361539 /nfs/dbraw/zinc/36/15/39/230361539.db2.gz BNNKCXDGTDOBRS-ARJAWSKDSA-N 0 3 276.362 -1.548 20 0 CAADHN CN(C)C/C=C\C(=O)NCC(=O)NCCN1CCOCC1 ZINC000491895198 230361673 /nfs/dbraw/zinc/36/16/73/230361673.db2.gz VVPPCZKGZYIZIV-ARJAWSKDSA-N 0 3 298.387 -1.331 20 0 CAADHN CN(C)C/C=C/C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000493608045 230363217 /nfs/dbraw/zinc/36/32/17/230363217.db2.gz BTEGCGDILNEFMI-ONEGZZNKSA-N 0 3 289.401 -1.049 20 0 CAADHN C[NH+](C)C/C=C/C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000493449512 230363244 /nfs/dbraw/zinc/36/32/44/230363244.db2.gz HZCLORDMPFHGTD-NWALNABHSA-N 0 3 266.301 -1.133 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C(=O)NCCN(C)C ZINC000496320049 230364791 /nfs/dbraw/zinc/36/47/91/230364791.db2.gz DTMZCUAZUIIHJC-SFYZADRCSA-N 0 3 272.305 -1.723 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC2(C1)CNC(=O)O2 ZINC000496456013 230365055 /nfs/dbraw/zinc/36/50/55/230365055.db2.gz PRGQZOMHMGLAGG-JTQLQIEISA-N 0 3 273.333 -1.280 20 0 CAADHN CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2cn[nH]n2)C1 ZINC001196320929 782031548 /nfs/dbraw/zinc/03/15/48/782031548.db2.gz PUDSCBXBBKPFME-VXGBXAGGSA-N 0 3 297.359 -1.065 20 0 CAADHN CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]nn2)C1 ZINC001196320929 782031553 /nfs/dbraw/zinc/03/15/53/782031553.db2.gz PUDSCBXBBKPFME-VXGBXAGGSA-N 0 3 297.359 -1.065 20 0 CAADHN CN1CCN(CCCOC(=O)NC(N)=O)[C@H](CO)C1 ZINC001196263132 782031650 /nfs/dbraw/zinc/03/16/50/782031650.db2.gz NMHBZSSNHATGSA-VIFPVBQESA-N 0 3 274.321 -1.210 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001196421807 782035552 /nfs/dbraw/zinc/03/55/52/782035552.db2.gz PNYJJYGKFVAGAH-IVZWLZJFSA-N 0 3 293.389 -1.506 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC ZINC001110480374 782036099 /nfs/dbraw/zinc/03/60/99/782036099.db2.gz FJYYITMTCPAAKF-KXNHARMFSA-N 0 3 299.371 -1.149 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001196421820 782036413 /nfs/dbraw/zinc/03/64/13/782036413.db2.gz PNYJJYGKFVAGAH-OPRDCNLKSA-N 0 3 293.389 -1.506 20 0 CAADHN N=c1ncc(CN)cn1C(=O)c1cc(=O)cc(C(N)=O)o1 ZINC001196209043 782029709 /nfs/dbraw/zinc/02/97/09/782029709.db2.gz ARFMVDSTTNSYIV-UHFFFAOYSA-N 0 3 289.251 -1.438 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O)N(C)C ZINC001196206425 782029997 /nfs/dbraw/zinc/02/99/97/782029997.db2.gz CHQDQPNNMKYDDF-OUAUKWLOSA-N 0 3 286.376 -1.766 20 0 CAADHN NC(=O)c1csc(N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000517395669 260183079 /nfs/dbraw/zinc/18/30/79/260183079.db2.gz MGCMCDXVLVXJFC-BQBZGAKWSA-N 0 3 281.341 -1.010 20 0 CAADHN CN[C@@H](C)C(=O)NCCN1CCN(C(C)=O)CC1 ZINC000517756637 260188427 /nfs/dbraw/zinc/18/84/27/260188427.db2.gz IIOKYTALAWKDDP-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000517959537 260326333 /nfs/dbraw/zinc/32/63/33/260326333.db2.gz IIUMWVIKRKHNQN-SRVKXCTJSA-N 0 3 271.361 -1.160 20 0 CAADHN C[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)N1C(=O)CCC1=O ZINC000517961454 260326941 /nfs/dbraw/zinc/32/69/41/260326941.db2.gz VVXWYOMSFBAQSC-UTLUCORTSA-N 0 3 283.328 -1.343 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCNC(=O)[C@H]1C ZINC000518062771 260339967 /nfs/dbraw/zinc/33/99/67/260339967.db2.gz PQLMDIJMQMTNBX-MNOVXSKESA-N 0 3 259.350 -1.254 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@@H]1O ZINC000518258908 260363012 /nfs/dbraw/zinc/36/30/12/260363012.db2.gz ZMRRLVFTUUJUEM-UWVGGRQHSA-N 0 3 293.389 -1.599 20 0 CAADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NC1CNC1 ZINC000518347619 260380505 /nfs/dbraw/zinc/38/05/05/260380505.db2.gz JDCDMDLPTCGMKU-JTQLQIEISA-N 0 3 298.387 -1.622 20 0 CAADHN CCN(CC)CC(=O)NCCS(=O)(=O)NC ZINC000189010055 262165279 /nfs/dbraw/zinc/16/52/79/262165279.db2.gz ODIBLWXYOZJKII-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)C[C@@H]1CNCCO1 ZINC000390347964 262182105 /nfs/dbraw/zinc/18/21/05/262182105.db2.gz LGQBRUUHLSSATJ-SECBINFHSA-N 0 3 279.362 -1.580 20 0 CAADHN CN(CC(C)(C)O)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000521424390 262326115 /nfs/dbraw/zinc/32/61/15/262326115.db2.gz XJRUTDMPLNUEIU-SNVBAGLBSA-N 0 3 286.376 -1.683 20 0 CAADHN OC[C@@H]1CCN(C[C@H](O)CN2CCOCC2)C[C@H]1O ZINC001251009818 782037854 /nfs/dbraw/zinc/03/78/54/782037854.db2.gz QHGTXCGBILFYJH-YNEHKIRRSA-N 0 3 274.361 -1.645 20 0 CAADHN CO[C@@H]1CN[C@@H](C(=O)N(C)CC(=O)N2CCNCC2)C1 ZINC000520396723 265794929 /nfs/dbraw/zinc/79/49/29/265794929.db2.gz HHVCHOGZSNHKIM-WDEREUQCSA-N 0 3 284.360 -1.747 20 0 CAADHN CCOCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000520612780 265879517 /nfs/dbraw/zinc/87/95/17/265879517.db2.gz SUIODIAZGCZBLX-VHSXEESVSA-N 0 3 270.333 -1.024 20 0 CAADHN O[C@@H]1COC[C@@H]1N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000520679689 265889869 /nfs/dbraw/zinc/88/98/69/265889869.db2.gz SOWAFVSDBXAHLM-QJPTWQEYSA-N 0 3 268.317 -1.135 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H]1CCCN(C)C1 ZINC000530721513 269094585 /nfs/dbraw/zinc/09/45/85/269094585.db2.gz NLQIQAASNPMZPC-VIFPVBQESA-N 0 3 263.363 -1.006 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H]1CCCN(C)C1 ZINC000530721512 269094639 /nfs/dbraw/zinc/09/46/39/269094639.db2.gz NLQIQAASNPMZPC-SECBINFHSA-N 0 3 263.363 -1.006 20 0 CAADHN CCN(CCO)CCNC(=O)N[C@@H]1CCN(C)C1=O ZINC000187314105 269085922 /nfs/dbraw/zinc/08/59/22/269085922.db2.gz IYATZRITRBNIAL-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN CNC(=O)[C@@H](NCCN1C(=O)CNC1=O)C(C)C ZINC000183635241 269085959 /nfs/dbraw/zinc/08/59/59/269085959.db2.gz NYZSLXFMKAYMCH-VIFPVBQESA-N 0 3 256.306 -1.102 20 0 CAADHN CCN(CCO)CCNC(=O)NCC(=O)N(C)C ZINC000187091073 269085988 /nfs/dbraw/zinc/08/59/88/269085988.db2.gz AIWDIYHRADOWMS-UHFFFAOYSA-N 0 3 260.338 -1.312 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CN(C)CCO1 ZINC000183931520 269086271 /nfs/dbraw/zinc/08/62/71/269086271.db2.gz SYLIMNVERSTASX-LLVKDONJSA-N 0 3 259.350 -1.253 20 0 CAADHN CCN1CCN(CC(=O)NC[C@@H]2CCCN2C)C(=O)C1=O ZINC000194700349 269086322 /nfs/dbraw/zinc/08/63/22/269086322.db2.gz YSWSJENUIFVGMV-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)CCNC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000074674370 269086488 /nfs/dbraw/zinc/08/64/88/269086488.db2.gz KDQFQBYJCWGTND-UHFFFAOYSA-N 0 3 292.405 -1.759 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CCNCC2)CC1=O ZINC000237160107 269086759 /nfs/dbraw/zinc/08/67/59/269086759.db2.gz PFENOYXXUIWBMX-NSHDSACASA-N 0 3 268.361 -1.172 20 0 CAADHN O=S(=O)(NC1CNC1)c1cccc(-n2cnnn2)c1 ZINC000238042980 269087089 /nfs/dbraw/zinc/08/70/89/269087089.db2.gz ZCEOITPTIAQIJP-UHFFFAOYSA-N 0 3 280.313 -1.088 20 0 CAADHN CCNS(=O)(=O)NCC1(O)CCN(C)CC1 ZINC000397494858 269088100 /nfs/dbraw/zinc/08/81/00/269088100.db2.gz PFBIMUIKRUISRI-UHFFFAOYSA-N 0 3 251.352 -1.113 20 0 CAADHN Cn1cc(C(N)=O)cc1C(=O)NC[C@@H]1CNCCO1 ZINC000517235205 269088718 /nfs/dbraw/zinc/08/87/18/269088718.db2.gz HCINDRYTNPQCMI-VIFPVBQESA-N 0 3 266.301 -1.158 20 0 CAADHN CC(C)OC(=O)[C@@H](C)CNC(=O)C(=O)NC1CNC1 ZINC000517101666 269088722 /nfs/dbraw/zinc/08/87/22/269088722.db2.gz PAFBTSKATRNMGT-QMMMGPOBSA-N 0 3 271.317 -1.222 20 0 CAADHN CN1CCN(C(=O)CCN2C(=O)CCC2=O)[C@@H](CN)C1 ZINC000517564882 269088762 /nfs/dbraw/zinc/08/87/62/269088762.db2.gz PBZNRIOAUMLYOY-JTQLQIEISA-N 0 3 282.344 -1.373 20 0 CAADHN CS(=O)(=O)N1CCC[C@@H](NCCC(=O)NC(N)=O)C1 ZINC000517231000 269088790 /nfs/dbraw/zinc/08/87/90/269088790.db2.gz MPRINEUCMIQJSG-MRVPVSSYSA-N 0 3 292.361 -1.415 20 0 CAADHN C[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000517563319 269088835 /nfs/dbraw/zinc/08/88/35/269088835.db2.gz PZEIUENMWBLVGR-QMMMGPOBSA-N 0 3 287.345 -1.410 20 0 CAADHN C[C@@H]1C[C@H](O)CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000517731168 269088862 /nfs/dbraw/zinc/08/88/62/269088862.db2.gz PAAHEDZLZMEHAN-WOPDTQHZSA-N 0 3 298.387 -1.683 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 ZINC000517563316 269089005 /nfs/dbraw/zinc/08/90/05/269089005.db2.gz PZEIUENMWBLVGR-MRVPVSSYSA-N 0 3 287.345 -1.410 20 0 CAADHN CN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000518564219 269089139 /nfs/dbraw/zinc/08/91/39/269089139.db2.gz KYKSLGNHIAFWOL-GHMZBOCLSA-N 0 3 266.345 -1.149 20 0 CAADHN CN(C(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000518564221 269089256 /nfs/dbraw/zinc/08/92/56/269089256.db2.gz KYKSLGNHIAFWOL-QWRGUYRKSA-N 0 3 266.345 -1.149 20 0 CAADHN Cn1nnnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000520757538 269089344 /nfs/dbraw/zinc/08/93/44/269089344.db2.gz LAXGBCTVEJBPBI-UHFFFAOYSA-N 0 3 279.348 -1.046 20 0 CAADHN COC[C@@H](O)CNCCS(=O)(=O)NC(C)C ZINC000519823075 269089456 /nfs/dbraw/zinc/08/94/56/269089456.db2.gz RHZBHSRGKIIARP-VIFPVBQESA-N 0 3 254.352 -1.089 20 0 CAADHN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)NC2CNC2)CC1=O ZINC000521591711 269089475 /nfs/dbraw/zinc/08/94/75/269089475.db2.gz HQBZKRAZXJHDJZ-NQMVMOMDSA-N 0 3 280.328 -1.800 20 0 CAADHN CN(CC1(CO)CC1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000518514732 269089483 /nfs/dbraw/zinc/08/94/83/269089483.db2.gz PFJKDTAWVDEMSN-LLVKDONJSA-N 0 3 298.387 -1.681 20 0 CAADHN CN(C)[C@H]1CN(CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC000521266566 269089498 /nfs/dbraw/zinc/08/94/98/269089498.db2.gz DORADCYNUVRYKE-UWVGGRQHSA-N 0 3 270.333 -1.465 20 0 CAADHN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)NC2CNC2)CC1=O ZINC000521591709 269089527 /nfs/dbraw/zinc/08/95/27/269089527.db2.gz HQBZKRAZXJHDJZ-KHQFGBGNSA-N 0 3 280.328 -1.800 20 0 CAADHN COCCNC(=O)CN1CCN(C(=O)C2(N)CCC2)CC1 ZINC000521879735 269089542 /nfs/dbraw/zinc/08/95/42/269089542.db2.gz PYBBGYYVLUOTKB-UHFFFAOYSA-N 0 3 298.387 -1.225 20 0 CAADHN CC(C)(C)N1C[C@@H](NC(=O)C(=O)NC2CNC2)CC1=O ZINC000520773665 269089552 /nfs/dbraw/zinc/08/95/52/269089552.db2.gz SKGLTGKYKBHNSG-QMMMGPOBSA-N 0 3 282.344 -1.410 20 0 CAADHN COCCNCC(=O)NCc1nc(N(C)C)no1 ZINC000520578150 269089639 /nfs/dbraw/zinc/08/96/39/269089639.db2.gz WTXGVAZVKCILNT-UHFFFAOYSA-N 0 3 257.294 -1.012 20 0 CAADHN CN(C)[C@H]1CN(CC(=O)NC[C@H]2CCCO2)C[C@@H]1O ZINC000520835115 269089678 /nfs/dbraw/zinc/08/96/78/269089678.db2.gz YHPKQGVRNWATJT-WOPDTQHZSA-N 0 3 271.361 -1.112 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN1CC[C@H](C)C1 ZINC000525805535 269090015 /nfs/dbraw/zinc/09/00/15/269090015.db2.gz PHVXEGUBXYCZLK-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CCN1C[C@H](C(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000522001310 269090020 /nfs/dbraw/zinc/09/00/20/269090020.db2.gz PKYSRISQMMVKGF-MNOVXSKESA-N 0 3 268.361 -1.044 20 0 CAADHN C[C@H]1CC[N@H+](CCNC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000525291140 269090246 /nfs/dbraw/zinc/09/02/46/269090246.db2.gz PYVUJLHYKMYHAT-VIFPVBQESA-N 0 3 268.317 -1.004 20 0 CAADHN C[C@H]1CC[N@@H+](CCNC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000525291140 269090248 /nfs/dbraw/zinc/09/02/48/269090248.db2.gz PYVUJLHYKMYHAT-VIFPVBQESA-N 0 3 268.317 -1.004 20 0 CAADHN N[C@H]1C[C@H]2CN(CC(=O)NC(=O)NC3CC3)CCN2C1=O ZINC000522015659 269090353 /nfs/dbraw/zinc/09/03/53/269090353.db2.gz YVBFLSPOTVXOJM-UWVGGRQHSA-N 0 3 295.343 -1.782 20 0 CAADHN COCCN1CC[C@H](NC(=O)NC[C@@H]2COCCN2)C1 ZINC000529310632 269092341 /nfs/dbraw/zinc/09/23/41/269092341.db2.gz RBLLUBYECSBQTR-NWDGAFQWSA-N 0 3 286.376 -1.005 20 0 CAADHN C[C@H](O)CN1CCN(C(=O)NC[C@H]2COCCN2)CC1 ZINC000529383053 269093173 /nfs/dbraw/zinc/09/31/73/269093173.db2.gz FANGMYOCCMRNTJ-RYUDHWBXSA-N 0 3 286.376 -1.317 20 0 CAADHN O=C(NC[C@H]1COCCN1)N1CCOC2(CNC2)C1 ZINC000529389016 269093265 /nfs/dbraw/zinc/09/32/65/269093265.db2.gz PVCCXPYSSZLXSF-JTQLQIEISA-N 0 3 270.333 -1.641 20 0 CAADHN CN1CCN(C(=O)NC[C@H]2COCCN2)[C@H](CN)C1 ZINC000529389071 269093503 /nfs/dbraw/zinc/09/35/03/269093503.db2.gz QIWQTRBZPIUFPR-WDEREUQCSA-N 0 3 271.365 -1.741 20 0 CAADHN CN1CCC[C@H](NC(=O)N2CCOC3(CNC3)C2)C1=O ZINC000529361425 269093517 /nfs/dbraw/zinc/09/35/17/269093517.db2.gz PDBNOXLAXKFUSC-JTQLQIEISA-N 0 3 282.344 -1.009 20 0 CAADHN C[C@H]1CN(CCO)CCN1C(=O)NC[C@@H]1COCCN1 ZINC000529387823 269093655 /nfs/dbraw/zinc/09/36/55/269093655.db2.gz MOBIDVQHSKGDIR-NWDGAFQWSA-N 0 3 286.376 -1.317 20 0 CAADHN C[C@H]1CN(CCO)CCN1C(=O)NC[C@H]1COCCN1 ZINC000529387825 269093793 /nfs/dbraw/zinc/09/37/93/269093793.db2.gz MOBIDVQHSKGDIR-RYUDHWBXSA-N 0 3 286.376 -1.317 20 0 CAADHN O=C(NC[C@@H]1COCCN1)N1CCOC2(CNC2)C1 ZINC000529389020 269093834 /nfs/dbraw/zinc/09/38/34/269093834.db2.gz PVCCXPYSSZLXSF-SNVBAGLBSA-N 0 3 270.333 -1.641 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCN1CC[C@H](C)C1)C(N)=O ZINC000530580901 269094537 /nfs/dbraw/zinc/09/45/37/269094537.db2.gz VCPPWNYHHXHCJO-ONGXEEELSA-N 0 3 284.360 -1.176 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000530279941 269094844 /nfs/dbraw/zinc/09/48/44/269094844.db2.gz FWWWKRMKRXSRGA-FYLLDIAZSA-N 0 3 255.318 -1.003 20 0 CAADHN CC1(C)CN(C(=O)CN2CC(=O)NC2=O)CCN1 ZINC000530877405 269094938 /nfs/dbraw/zinc/09/49/38/269094938.db2.gz YFASJNREDRYDJN-UHFFFAOYSA-N 0 3 254.290 -1.251 20 0 CAADHN CC(C)N(C)CC(=O)NCCNS(=O)(=O)N(C)C ZINC000332486572 279352542 /nfs/dbraw/zinc/35/25/42/279352542.db2.gz PRGNPXZXQJAHSI-UHFFFAOYSA-N 0 3 280.394 -1.161 20 0 CAADHN CSCC[C@H](NC[C@H](O)CN1CCOCC1)C(N)=O ZINC001251045050 782042046 /nfs/dbraw/zinc/04/20/46/782042046.db2.gz CLJJUKZTRFNWOG-QWRGUYRKSA-N 0 3 291.417 -1.124 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001196845693 782042626 /nfs/dbraw/zinc/04/26/26/782042626.db2.gz SWKASCRSSJGQMY-QJPTWQEYSA-N 0 3 299.371 -1.147 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@H]1O ZINC001197034170 782047424 /nfs/dbraw/zinc/04/74/24/782047424.db2.gz JIMQTCVOTAVRPR-GHMZBOCLSA-N 0 3 286.376 -1.765 20 0 CAADHN COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001197041863 782046428 /nfs/dbraw/zinc/04/64/28/782046428.db2.gz QEBVLQAKOGYTNM-IWSPIJDZSA-N 0 3 285.304 -2.413 20 0 CAADHN COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001197041863 782046439 /nfs/dbraw/zinc/04/64/39/782046439.db2.gz QEBVLQAKOGYTNM-IWSPIJDZSA-N 0 3 285.304 -2.413 20 0 CAADHN COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197041863 782046449 /nfs/dbraw/zinc/04/64/49/782046449.db2.gz QEBVLQAKOGYTNM-IWSPIJDZSA-N 0 3 285.304 -2.413 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001197049720 782046645 /nfs/dbraw/zinc/04/66/45/782046645.db2.gz RFCFCGVCOPDLER-VXGBXAGGSA-N 0 3 273.377 -1.128 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001197057586 782047693 /nfs/dbraw/zinc/04/76/93/782047693.db2.gz FZGCQQASOIEVIE-GRYCIOLGSA-N 0 3 298.387 -1.622 20 0 CAADHN CC(C)[C@H](CCO)NCC(=O)N1CCNC(=O)C1 ZINC000330877743 276015764 /nfs/dbraw/zinc/01/57/64/276015764.db2.gz LAMVFVNPWLUZGD-JTQLQIEISA-N 0 3 257.334 -1.059 20 0 CAADHN CCN1CCCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1=O ZINC000420072894 276161750 /nfs/dbraw/zinc/16/17/50/276161750.db2.gz ZXCGVMCYCRUNHW-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CCN1CCN(C(=O)C(=O)NCCN)[C@H](C)C1=O ZINC000419831930 276379888 /nfs/dbraw/zinc/37/98/88/276379888.db2.gz ILWMIWQCQOKZIK-MRVPVSSYSA-N 0 3 256.306 -1.860 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000515646042 276390114 /nfs/dbraw/zinc/39/01/14/276390114.db2.gz QFFAMILNAGJXPN-VXGBXAGGSA-N 0 3 270.377 -1.192 20 0 CAADHN CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000497001129 276434334 /nfs/dbraw/zinc/43/43/34/276434334.db2.gz SAPQPUHNUVLKIE-VIFPVBQESA-N 0 3 298.343 -1.189 20 0 CAADHN CC[C@@H](C(=O)NCCS(=O)(=O)NC)N(C)C ZINC000188942540 276515396 /nfs/dbraw/zinc/51/53/96/276515396.db2.gz MIGSVSMWZFEJTO-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN CC[C@@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCN ZINC000419814182 276539002 /nfs/dbraw/zinc/53/90/02/276539002.db2.gz IBTUZBUZZZOQRL-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@H]1CN(C2CC2)C[C@H]1C ZINC000342497559 277028908 /nfs/dbraw/zinc/02/89/08/277028908.db2.gz NVZREFVJABXHNL-SKDRFNHKSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CCN(C)CCCS(=O)(=O)NC ZINC000348002815 277225795 /nfs/dbraw/zinc/22/57/95/277225795.db2.gz YQQHADBGJZKTSS-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN COCCN(C)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000339249657 277213472 /nfs/dbraw/zinc/21/34/72/277213472.db2.gz XPXCPMIOQXBAEV-UHFFFAOYSA-N 0 3 284.316 -1.206 20 0 CAADHN C[C@@H]1NC(=O)CC[C@@H]1NCC(=O)N1CCNC(=O)C1 ZINC000333371903 278045694 /nfs/dbraw/zinc/04/56/94/278045694.db2.gz ZECWVJHCYJZTJG-IUCAKERBSA-N 0 3 268.317 -1.799 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCN[C@H](C)[C@@H]1C ZINC000434705156 278094921 /nfs/dbraw/zinc/09/49/21/278094921.db2.gz DQLJDZJZAKOUFT-BDAKNGLRSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000356358207 278095526 /nfs/dbraw/zinc/09/55/26/278095526.db2.gz XOMNOUMAWVUEHG-BDAKNGLRSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000177042322 278096082 /nfs/dbraw/zinc/09/60/82/278096082.db2.gz LCLWVRQCRXQTAL-MWLCHTKSSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000420033619 278247821 /nfs/dbraw/zinc/24/78/21/278247821.db2.gz WCXFTPHYBNPFQY-IVZWLZJFSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000424553107 278248158 /nfs/dbraw/zinc/24/81/58/278248158.db2.gz YXHNFFBSQFYRMP-VHSXEESVSA-N 0 3 280.332 -1.095 20 0 CAADHN C[C@H](O)CN(CCO)CCC(=O)N1CCOCC1 ZINC000351930459 278289112 /nfs/dbraw/zinc/28/91/12/278289112.db2.gz ZPWJNVGZVUVOBP-NSHDSACASA-N 0 3 260.334 -1.090 20 0 CAADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NC2CNC2)C1=O ZINC000516065940 278343198 /nfs/dbraw/zinc/34/31/98/278343198.db2.gz ZDJDVRKFMHXVPD-SECBINFHSA-N 0 3 282.344 -1.410 20 0 CAADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)NC2CNC2)C1=O ZINC000516065941 278345566 /nfs/dbraw/zinc/34/55/66/278345566.db2.gz ZDJDVRKFMHXVPD-VIFPVBQESA-N 0 3 282.344 -1.410 20 0 CAADHN C[C@H]1CCN(C)CCN1C(=O)C(=O)N1CCNCC1 ZINC000423250103 278364763 /nfs/dbraw/zinc/36/47/63/278364763.db2.gz UPRKSRXXPNZLAH-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CC(C)CN1CCN(C(=O)C(=O)N[C@H](C)CN)CC1=O ZINC000420015768 278886513 /nfs/dbraw/zinc/88/65/13/278886513.db2.gz RGBMTXMSWOIGBM-SNVBAGLBSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)C[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101495 279176229 /nfs/dbraw/zinc/17/62/29/279176229.db2.gz RDQGIPHAFYFKGQ-VIFPVBQESA-N 0 3 278.378 -1.293 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N[C@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000419200374 279290730 /nfs/dbraw/zinc/29/07/30/279290730.db2.gz FEYQEWZCKGPHQH-ZNSHCXBVSA-N 0 3 296.371 -1.083 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000332737257 279293537 /nfs/dbraw/zinc/29/35/37/279293537.db2.gz WCXFTPHYBNPFQY-OPRDCNLKSA-N 0 3 282.344 -1.281 20 0 CAADHN CCN1CCN(C(=O)C(=O)N(C)CCN)[C@@H](C)C1=O ZINC000423379867 279337338 /nfs/dbraw/zinc/33/73/38/279337338.db2.gz YAOGDPDVQKATOA-VIFPVBQESA-N 0 3 270.333 -1.517 20 0 CAADHN CC(C)[C@H](C(=O)N1CCN(S(N)(=O)=O)CC1)N(C)C ZINC000110684752 280151516 /nfs/dbraw/zinc/15/15/16/280151516.db2.gz SOHSCOZETYULMZ-SNVBAGLBSA-N 0 3 292.405 -1.080 20 0 CAADHN CC[C@@H](NCCNC(=O)CNC(=O)C1CCC1)C(N)=O ZINC001152324109 782052555 /nfs/dbraw/zinc/05/25/55/782052555.db2.gz LBHBADAXZZQQKT-SNVBAGLBSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@H](NCCNC(=O)CNC(=O)C1CCC1)C(N)=O ZINC001152324108 782052830 /nfs/dbraw/zinc/05/28/30/782052830.db2.gz LBHBADAXZZQQKT-JTQLQIEISA-N 0 3 284.360 -1.128 20 0 CAADHN CC1(C)NC(=O)N(CCN(CCO)CCCO)C1=O ZINC000348129338 281393497 /nfs/dbraw/zinc/39/34/97/281393497.db2.gz YAEBAUNMRNGBFN-UHFFFAOYSA-N 0 3 273.333 -1.007 20 0 CAADHN CN(C)C/C=C/C(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1 ZINC000372527933 282018187 /nfs/dbraw/zinc/01/81/87/282018187.db2.gz VNHDWDQNEWWEEL-ITKZLYELSA-N 0 3 298.387 -1.251 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N1CCNC(=O)C1 ZINC000360271809 289166644 /nfs/dbraw/zinc/16/66/44/289166644.db2.gz LLHCVHSGSNUBBC-UHFFFAOYSA-N 0 3 286.332 -2.361 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358055577 289234130 /nfs/dbraw/zinc/23/41/30/289234130.db2.gz ZBXFSHUIRZZMOK-LLVKDONJSA-N 0 3 293.389 -1.549 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000423706635 289540004 /nfs/dbraw/zinc/54/00/04/289540004.db2.gz RFEPMWMXNBYHQL-BBBLOLIVSA-N 0 3 273.333 -1.600 20 0 CAADHN CS(=O)(=O)NC[C@@H]1CCN(CCOCCO)C1 ZINC001197573044 782054038 /nfs/dbraw/zinc/05/40/38/782054038.db2.gz HKTPYSUEOYFCJZ-JTQLQIEISA-N 0 3 266.363 -1.134 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCC[C@](C)(O)C2)[C@H](CN)C1 ZINC000515233300 290006761 /nfs/dbraw/zinc/00/67/61/290006761.db2.gz XOXIFVLHWLZTQA-RISCZKNCSA-N 0 3 298.387 -1.539 20 0 CAADHN C[C@H](O)CN(CCO)CCCS(=O)(=O)N(C)C ZINC000336722748 290081442 /nfs/dbraw/zinc/08/14/42/290081442.db2.gz TUXUNPCCAUMMPZ-JTQLQIEISA-N 0 3 268.379 -1.057 20 0 CAADHN CN1CC[C@](O)(CNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000358055225 290245334 /nfs/dbraw/zinc/24/53/34/290245334.db2.gz LWOLOEVRUKELLP-NSHDSACASA-N 0 3 293.389 -1.503 20 0 CAADHN CNC(=O)CCN(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343294734 290386904 /nfs/dbraw/zinc/38/69/04/290386904.db2.gz JMWBSZTXJLGXAA-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@H]1CCCN(C(=O)C(=O)N2CCNC(=O)C2)[C@H]1CN ZINC000423732611 290421819 /nfs/dbraw/zinc/42/18/19/290421819.db2.gz MTPWNKGJOQSXGX-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001197649735 782056923 /nfs/dbraw/zinc/05/69/23/782056923.db2.gz GRFZYRCWUPNPBT-HBNTYKKESA-N 0 3 297.359 -1.331 20 0 CAADHN Cc1[nH]ncc1CN1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000091867004 293136446 /nfs/dbraw/zinc/13/64/46/293136446.db2.gz LRGDVDZCWQUFCN-SNVBAGLBSA-N 0 3 263.301 -1.139 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@H](C)N(C)C ZINC000581950792 336175228 /nfs/dbraw/zinc/17/52/28/336175228.db2.gz FKSXXRSYRCDQBK-ZETCQYMHSA-N 0 3 252.340 -1.894 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000353470340 294410320 /nfs/dbraw/zinc/41/03/20/294410320.db2.gz QUCMXZLQTRDGHU-GFCCVEGCSA-N 0 3 298.387 -1.273 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001198046825 782061421 /nfs/dbraw/zinc/06/14/21/782061421.db2.gz GDAFAXAFWBMSJX-GHMZBOCLSA-N 0 3 259.350 -1.518 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1O ZINC001198030390 782062097 /nfs/dbraw/zinc/06/20/97/782062097.db2.gz ZMVXTJWGHAPYTA-GMTAPVOTSA-N 0 3 286.376 -1.637 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)CCNC(N)=O)CC1 ZINC001198071114 782062182 /nfs/dbraw/zinc/06/21/82/782062182.db2.gz LHBHTULXDIDYMH-JTQLQIEISA-N 0 3 272.349 -1.040 20 0 CAADHN NC(=O)[C@H]1CCCC[C@@H]1NCC(=O)N1CCNC(=O)C1 ZINC000184801050 295148675 /nfs/dbraw/zinc/14/86/75/295148675.db2.gz DUVVRNSVFLNKQQ-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)[C@H]1CCCN1CCOCCN1CCC[C@@H]1C(N)=O ZINC000178638482 295153826 /nfs/dbraw/zinc/15/38/26/295153826.db2.gz HRPBSPIULOZDLT-VXGBXAGGSA-N 0 3 298.387 -1.098 20 0 CAADHN NS(=O)(=O)NCC(=O)NCCN1CCCCCC1 ZINC000431597489 295285454 /nfs/dbraw/zinc/28/54/54/295285454.db2.gz UDRXJSJXSGHKKE-UHFFFAOYSA-N 0 3 278.378 -1.228 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000424162638 295324576 /nfs/dbraw/zinc/32/45/76/295324576.db2.gz ZYYWTHXMZKUAOP-GARJFASQSA-N 0 3 266.345 -1.244 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)N1CCO[C@@H](CO)C1 ZINC000430544799 295519611 /nfs/dbraw/zinc/51/96/11/295519611.db2.gz UVJVIMWVLVGHTK-WDEREUQCSA-N 0 3 258.318 -1.025 20 0 CAADHN CS(=O)(=O)NCCNC(=O)C[C@H]1CSCCN1 ZINC000091134422 295528046 /nfs/dbraw/zinc/52/80/46/295528046.db2.gz HXRAZNNFUZZCDP-QMMMGPOBSA-N 0 3 281.403 -1.253 20 0 CAADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)NC(N)=O ZINC000429723676 295537069 /nfs/dbraw/zinc/53/70/69/295537069.db2.gz VJWSBLOLYICXQL-YUMQZZPRSA-N 0 3 292.361 -1.369 20 0 CAADHN CC(C(=O)N[C@H](CO)CN1CCOCC1)S(C)(=O)=O ZINC000330435249 298183569 /nfs/dbraw/zinc/18/35/69/298183569.db2.gz ATVXGUSPIVNHDT-ZJUUUORDSA-N 0 3 294.373 -1.771 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000419190884 298538221 /nfs/dbraw/zinc/53/82/21/298538221.db2.gz MCLICBLXUJJVBW-BDAKNGLRSA-N 0 3 284.360 -1.035 20 0 CAADHN CCCN(CCC(=O)NCC(=O)OC)CC(N)=O ZINC000429119212 528032982 /nfs/dbraw/zinc/03/29/82/528032982.db2.gz VJZOITBQTBGCKO-UHFFFAOYSA-N 0 3 259.306 -1.137 20 0 CAADHN NS(=O)(=O)C[C@H]1CCN(CCc2cn[nH]n2)C1 ZINC001198328310 782063975 /nfs/dbraw/zinc/06/39/75/782063975.db2.gz SSTJUHCFWPFGOA-QMMMGPOBSA-N 0 3 259.335 -1.042 20 0 CAADHN NC(=O)NC(=O)CCCN1CCC[C@@H]1CS(N)(=O)=O ZINC000358424043 303266739 /nfs/dbraw/zinc/26/67/39/303266739.db2.gz IDHLPFVQXKDHGL-MRVPVSSYSA-N 0 3 292.361 -1.286 20 0 CAADHN NC(=O)NC(=O)CCCN1CCC[C@H]1CS(N)(=O)=O ZINC000358424045 303266835 /nfs/dbraw/zinc/26/68/35/303266835.db2.gz IDHLPFVQXKDHGL-QMMMGPOBSA-N 0 3 292.361 -1.286 20 0 CAADHN NCC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000376581243 303367492 /nfs/dbraw/zinc/36/74/92/303367492.db2.gz NNKYHYRCEBQSPY-VXGBXAGGSA-N 0 3 298.387 -1.179 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152421156 782064787 /nfs/dbraw/zinc/06/47/87/782064787.db2.gz TVRGZKKFCRAHKP-ZETCQYMHSA-N 0 3 297.319 -2.783 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001198423327 782066219 /nfs/dbraw/zinc/06/62/19/782066219.db2.gz BLAHPQBIMKGHSX-GHMZBOCLSA-N 0 3 283.332 -1.524 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@H](CO)CN1CCCCC1 ZINC000330606486 303602424 /nfs/dbraw/zinc/60/24/24/303602424.db2.gz KLYWUSBDHBFILZ-JTQLQIEISA-N 0 3 298.343 -1.499 20 0 CAADHN O=C(CN1CCCS1(=O)=O)N1CCCNCC1 ZINC000042354904 303609420 /nfs/dbraw/zinc/60/94/20/303609420.db2.gz ROXXEOALRQYGFZ-UHFFFAOYSA-N 0 3 261.347 -1.156 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001198508885 782067779 /nfs/dbraw/zinc/06/77/79/782067779.db2.gz ZLCPCZXHXRNZBO-OPRDCNLKSA-N 0 3 298.343 -1.454 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001198506511 782068466 /nfs/dbraw/zinc/06/84/66/782068466.db2.gz CARFVXDRSQBLLP-IVZWLZJFSA-N 0 3 298.343 -1.456 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198500710 782067964 /nfs/dbraw/zinc/06/79/64/782067964.db2.gz NGVXCKLDMUCOSB-RKDXNWHRSA-N 0 3 258.322 -1.386 20 0 CAADHN C[C@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CCNC(N)=O)C1 ZINC001198490035 782068732 /nfs/dbraw/zinc/06/87/32/782068732.db2.gz QLGKGGNXOOHSER-IVZWLZJFSA-N 0 3 290.339 -1.046 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CCCN1C(C)=O ZINC001273772202 782071432 /nfs/dbraw/zinc/07/14/32/782071432.db2.gz SSHCNDZKFPZQBC-LLVKDONJSA-N 0 3 284.360 -1.079 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)CCC1=O ZINC001152523075 782072174 /nfs/dbraw/zinc/07/21/74/782072174.db2.gz SHWLIUFGUABVKA-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)CNCC1CC1 ZINC000570801759 327620285 /nfs/dbraw/zinc/62/02/85/327620285.db2.gz AIWCKCRLMAKKAT-UHFFFAOYSA-N 0 3 271.317 -1.137 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001199097412 782075531 /nfs/dbraw/zinc/07/55/31/782075531.db2.gz ZDEOBQGZQXQARZ-GHMZBOCLSA-N 0 3 259.350 -1.520 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1O ZINC001199105014 782074809 /nfs/dbraw/zinc/07/48/09/782074809.db2.gz YKCOSZZVPGMBLG-HBNTYKKESA-N 0 3 286.376 -1.638 20 0 CAADHN COCC(=O)N1CCCO[C@@H](CN[C@@H](C)C(N)=O)C1 ZINC001199592072 782084494 /nfs/dbraw/zinc/08/44/94/782084494.db2.gz UQIXOUNTRCVJHO-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN CN(C)[C@@H](C(=O)NCCNCC(N)=O)c1cccnc1 ZINC001152618000 782082071 /nfs/dbraw/zinc/08/20/71/782082071.db2.gz HSGSIGLLIHEKJY-GFCCVEGCSA-N 0 3 279.344 -1.125 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C(F)F)CCCO1 ZINC001199624893 782083868 /nfs/dbraw/zinc/08/38/68/782083868.db2.gz UAKNELLMNLOKNX-ZETCQYMHSA-N 0 3 265.260 -1.056 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)COC)CCCO1 ZINC001199589609 782084326 /nfs/dbraw/zinc/08/43/26/782084326.db2.gz CGRTWMXSLDXVCW-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN COCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001199591032 782084338 /nfs/dbraw/zinc/08/43/38/782084338.db2.gz MJLCIXMCNGNRGN-SECBINFHSA-N 0 3 259.306 -1.675 20 0 CAADHN COCCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001199654119 782084349 /nfs/dbraw/zinc/08/43/49/782084349.db2.gz SKDWGIXUHAKPRI-SNVBAGLBSA-N 0 3 273.333 -1.285 20 0 CAADHN CC(=O)N1CCCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001199601302 782084365 /nfs/dbraw/zinc/08/43/65/782084365.db2.gz RWBGXLIKJLYLRB-VIFPVBQESA-N 0 3 272.305 -1.592 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CCCC(N)=O)C1 ZINC001199429665 782080744 /nfs/dbraw/zinc/08/07/44/782080744.db2.gz OJPWTMHSWIYBIY-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)COC2CNC2)C1 ZINC000574914482 327639793 /nfs/dbraw/zinc/63/97/93/327639793.db2.gz RMIOLLUSRJXRCJ-SNVBAGLBSA-N 0 3 291.373 -1.485 20 0 CAADHN N[C@H](C(=O)NCCN1CCS(=O)(=O)CC1)C1CCC1 ZINC000574915298 327640304 /nfs/dbraw/zinc/64/03/04/327640304.db2.gz OGOXHOYEZFXLQQ-NSHDSACASA-N 0 3 289.401 -1.040 20 0 CAADHN CCC(=O)N1CCCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001199609310 782084727 /nfs/dbraw/zinc/08/47/27/782084727.db2.gz BTBXNFOSLDJIPT-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN CC(=O)N1CCCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001199601301 782084753 /nfs/dbraw/zinc/08/47/53/782084753.db2.gz RWBGXLIKJLYLRB-SECBINFHSA-N 0 3 272.305 -1.592 20 0 CAADHN COCC(=O)N1CCCO[C@@H](CNCC(=O)N(C)C)C1 ZINC001199589551 782084822 /nfs/dbraw/zinc/08/48/22/782084822.db2.gz BEVMIDYHJVTZHH-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1O ZINC000582131514 327794460 /nfs/dbraw/zinc/79/44/60/327794460.db2.gz KAAHTPXYLNZPHO-YUMQZZPRSA-N 0 3 255.278 -1.883 20 0 CAADHN COCCNCC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000580323432 327806460 /nfs/dbraw/zinc/80/64/60/327806460.db2.gz YGTGYLLCSVAJJQ-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN O=C(CN1CCNCC1=O)NCCNc1ccncc1 ZINC000563065181 327866049 /nfs/dbraw/zinc/86/60/49/327866049.db2.gz NIXIZLXYDJSUSB-UHFFFAOYSA-N 0 3 277.328 -1.537 20 0 CAADHN CC(=O)N1CCCO[C@@H](CN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001199622263 782085078 /nfs/dbraw/zinc/08/50/78/782085078.db2.gz GBSBSICNBASNFK-WPRPVWTQSA-N 0 3 286.332 -1.203 20 0 CAADHN CC(=O)N1CCCO[C@H](CN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001199622262 782085135 /nfs/dbraw/zinc/08/51/35/782085135.db2.gz GBSBSICNBASNFK-WCBMZHEXSA-N 0 3 286.332 -1.203 20 0 CAADHN CNCC(=O)N(CCN1CCOCC1)CC(=O)OC ZINC000563094347 327923388 /nfs/dbraw/zinc/92/33/88/327923388.db2.gz FCGOQCUKKHXLLD-UHFFFAOYSA-N 0 3 273.333 -1.460 20 0 CAADHN COC(=O)CCN(C)S(=O)(=O)NC1CNC1 ZINC000563118815 327926475 /nfs/dbraw/zinc/92/64/75/327926475.db2.gz HFYKBQOZNANTCS-UHFFFAOYSA-N 0 3 251.308 -1.713 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1=O ZINC000563145430 327929930 /nfs/dbraw/zinc/92/99/30/327929930.db2.gz XJQQAYCNRAYGBC-RKDXNWHRSA-N 0 3 284.360 -1.035 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C[C@H]1CNCCO1 ZINC000567909873 327953062 /nfs/dbraw/zinc/95/30/62/327953062.db2.gz XZBDNBRCCKQUIO-NHCYSSNCSA-N 0 3 286.328 -1.110 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCCO2)CCCO1 ZINC001199763592 782085603 /nfs/dbraw/zinc/08/56/03/782085603.db2.gz SPSAFPRQTTWTII-GHMZBOCLSA-N 0 3 285.344 -1.142 20 0 CAADHN Cn1ccc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)n1 ZINC000565424860 327996077 /nfs/dbraw/zinc/99/60/77/327996077.db2.gz ANKHHFCFMLMUBY-UHFFFAOYSA-N 0 3 273.362 -1.396 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2COCCN2C)C[C@@H]1O ZINC000563395763 328061691 /nfs/dbraw/zinc/06/16/91/328061691.db2.gz SQUXVABVUABYQM-AXFHLTTASA-N 0 3 257.334 -1.550 20 0 CAADHN COCCCNC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563439554 328065459 /nfs/dbraw/zinc/06/54/59/328065459.db2.gz GRNVJKIHNQGZQA-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)CC3CC3)CCN2C1=O ZINC000563440705 328065598 /nfs/dbraw/zinc/06/55/98/328065598.db2.gz JNPICIOXSQOYFR-ZJUUUORDSA-N 0 3 273.358 -1.030 20 0 CAADHN N[C@@H]1C[C@H]2CN(CCCN3CCOCC3)CCN2C1=O ZINC000563442036 328066465 /nfs/dbraw/zinc/06/64/65/328066465.db2.gz NJLHUNIFHHQOCV-QWHCGFSZSA-N 0 3 282.388 -1.048 20 0 CAADHN N[C@H]1C[C@H]2CN(CCCN3CCOCC3)CCN2C1=O ZINC000563442037 328066553 /nfs/dbraw/zinc/06/65/53/328066553.db2.gz NJLHUNIFHHQOCV-STQMWFEESA-N 0 3 282.388 -1.048 20 0 CAADHN N[C@H]1C[C@@H]2CN(CCCN3CCOCC3)CCN2C1=O ZINC000563442035 328066613 /nfs/dbraw/zinc/06/66/13/328066613.db2.gz NJLHUNIFHHQOCV-OLZOCXBDSA-N 0 3 282.388 -1.048 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CC(=O)NCC(F)(F)F)CCN2C1=O ZINC000563442529 328066877 /nfs/dbraw/zinc/06/68/77/328066877.db2.gz REENGMRFAXLROF-HTQZYQBOSA-N 0 3 294.277 -1.091 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)NCCn3cccn3)CCN2C1=O ZINC000563458696 328067997 /nfs/dbraw/zinc/06/79/97/328067997.db2.gz UYAVHDZPUWWFIR-MNOVXSKESA-N 0 3 292.343 -1.164 20 0 CAADHN CN1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1=O ZINC000563459305 328068012 /nfs/dbraw/zinc/06/80/12/328068012.db2.gz YIYSRIYSKDKAIG-KXUCPTDWSA-N 0 3 295.343 -1.830 20 0 CAADHN CC1(C)CN(C(=O)NCC(=O)N2CCNCC2)CCN1 ZINC000563595430 328076196 /nfs/dbraw/zinc/07/61/96/328076196.db2.gz HRFFMQUDQUWIPN-UHFFFAOYSA-N 0 3 283.376 -1.188 20 0 CAADHN CN(C[C@@H](O)CNCCNS(C)(=O)=O)C1CC1 ZINC000310421483 328076712 /nfs/dbraw/zinc/07/67/12/328076712.db2.gz QSMWFOIBTVEMIL-JTQLQIEISA-N 0 3 265.379 -1.420 20 0 CAADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)C3CC3)CCN2C1=O ZINC000563638848 328080001 /nfs/dbraw/zinc/08/00/01/328080001.db2.gz WVXKRBURSZWPFF-IONNQARKSA-N 0 3 259.331 -1.278 20 0 CAADHN O=C(CCN1CC[C@H]2OCCN[C@H]2C1)N1CCNCC1 ZINC000571095196 328085179 /nfs/dbraw/zinc/08/51/79/328085179.db2.gz FYADONMOAWJGQJ-QWHCGFSZSA-N 0 3 282.388 -1.129 20 0 CAADHN O=C(CCN1CC[C@H]2OCCN[C@@H]2C1)N1CCNCC1 ZINC000571095194 328085217 /nfs/dbraw/zinc/08/52/17/328085217.db2.gz FYADONMOAWJGQJ-CHWSQXEVSA-N 0 3 282.388 -1.129 20 0 CAADHN CN1CCN(C(=O)CN2CN=NC2=O)[C@@H](CN)C1 ZINC000571162504 328089491 /nfs/dbraw/zinc/08/94/91/328089491.db2.gz CSCYDONXLCORTG-QMMMGPOBSA-N 0 3 254.294 -1.915 20 0 CAADHN CO[C@@H]1COC[C@H]1NCCN1C(=O)N[C@H](C)C1=O ZINC000571203370 328092244 /nfs/dbraw/zinc/09/22/44/328092244.db2.gz BTXQGKYROUMVOP-IWSPIJDZSA-N 0 3 257.290 -1.070 20 0 CAADHN O=C(CNC(=O)[C@@H]1CCCCN1)N1CCNCC1 ZINC000571208719 328093302 /nfs/dbraw/zinc/09/33/02/328093302.db2.gz GMMPGAQICCJNIB-JTQLQIEISA-N 0 3 254.334 -1.324 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000571209236 328093366 /nfs/dbraw/zinc/09/33/66/328093366.db2.gz UUHZNSLTDOFHAQ-QMMMGPOBSA-N 0 3 264.351 -2.363 20 0 CAADHN C[C@H](NC(=O)[C@H]1CC[C@@H]1C(N)=O)C(=O)NCCN(C)C ZINC000571224934 328093496 /nfs/dbraw/zinc/09/34/96/328093496.db2.gz ONVFCCPCGUCDLS-GUBZILKMSA-N 0 3 284.360 -1.320 20 0 CAADHN CCN(C)S(=O)(=O)NC[C@@H]1CNCCN1C ZINC000571326061 328107347 /nfs/dbraw/zinc/10/73/47/328107347.db2.gz ZWJVCRHCSYWSOR-VIFPVBQESA-N 0 3 250.368 -1.324 20 0 CAADHN CCN(C)S(=O)(=O)NC[C@H]1CNCCN1C ZINC000571326059 328107433 /nfs/dbraw/zinc/10/74/33/328107433.db2.gz ZWJVCRHCSYWSOR-SECBINFHSA-N 0 3 250.368 -1.324 20 0 CAADHN CC(C)NS(=O)(=O)CCNCCC(=O)NC(N)=O ZINC000571396426 328118248 /nfs/dbraw/zinc/11/82/48/328118248.db2.gz BXEOJCIYSUKHBM-UHFFFAOYSA-N 0 3 280.350 -1.511 20 0 CAADHN C[C@H]1NCCN(C(=O)Cn2ncn(C)c2=O)[C@@H]1C ZINC000571443486 328122259 /nfs/dbraw/zinc/12/22/59/328122259.db2.gz FKCNEHNNIWYMEC-RKDXNWHRSA-N 0 3 253.306 -1.209 20 0 CAADHN NC(=O)CN1CCN(C(=O)C23CCCN2CCC3)CC1=O ZINC000571521543 328131201 /nfs/dbraw/zinc/13/12/01/328131201.db2.gz IWBZJIQLENTRRQ-UHFFFAOYSA-N 0 3 294.355 -1.229 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CC[C@@H](CO)[C@H](O)C1 ZINC000571559743 328133934 /nfs/dbraw/zinc/13/39/34/328133934.db2.gz VYHBJYGSCBEAOZ-HOSYDEDBSA-N 0 3 261.318 -1.024 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C2=COCCO2)CCCO1 ZINC001199744729 782085721 /nfs/dbraw/zinc/08/57/21/782085721.db2.gz OSPORJHZUKCTDH-JTQLQIEISA-N 0 3 299.327 -1.433 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCCO2)CCCO1 ZINC001199763597 782085756 /nfs/dbraw/zinc/08/57/56/782085756.db2.gz SPSAFPRQTTWTII-MNOVXSKESA-N 0 3 285.344 -1.142 20 0 CAADHN O=C(CCOC1CNC1)NCC(=O)N1CCNCC1 ZINC000571634816 328151026 /nfs/dbraw/zinc/15/10/26/328151026.db2.gz FLNLOGQXABPCSP-UHFFFAOYSA-N 0 3 270.333 -2.087 20 0 CAADHN CCOC(=O)CC[C@H](C)NC(=O)C(=O)NC1CNC1 ZINC000572858405 328151280 /nfs/dbraw/zinc/15/12/80/328151280.db2.gz XQLDKIQWDKHDLN-QMMMGPOBSA-N 0 3 271.317 -1.078 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cnccn2)CCCO1 ZINC001199725025 782085813 /nfs/dbraw/zinc/08/58/13/782085813.db2.gz QVYWLPYIWHFXCI-SNVBAGLBSA-N 0 3 293.327 -1.217 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)CNCC(=O)NCCO)C[C@@H](C)O1 ZINC000571643011 328181682 /nfs/dbraw/zinc/18/16/82/328181682.db2.gz WVAOKTVYVOOJEN-UTUOFQBUSA-N 0 3 289.376 -1.845 20 0 CAADHN CC(=O)NCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001199715351 782086368 /nfs/dbraw/zinc/08/63/68/782086368.db2.gz CYDYRECRUSBZRY-SNVBAGLBSA-N 0 3 286.332 -2.185 20 0 CAADHN CC(=O)NCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001199715349 782086708 /nfs/dbraw/zinc/08/67/08/782086708.db2.gz CYDYRECRUSBZRY-JTQLQIEISA-N 0 3 286.332 -2.185 20 0 CAADHN O=C(Cn1cnnn1)N1CCCO[C@H](CNCCF)C1 ZINC001199788325 782087181 /nfs/dbraw/zinc/08/71/81/782087181.db2.gz WAIYQBXIIQGXFN-SNVBAGLBSA-N 0 3 286.311 -1.150 20 0 CAADHN Cn1cc(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)cn1 ZINC001199797801 782087340 /nfs/dbraw/zinc/08/73/40/782087340.db2.gz SATRWYBMMCAECF-NSHDSACASA-N 0 3 295.343 -1.274 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CNC(N)=O)CCCO1 ZINC001199811973 782087571 /nfs/dbraw/zinc/08/75/71/782087571.db2.gz PTSMDFOPNDHBCC-MRVPVSSYSA-N 0 3 287.320 -2.653 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCCO2)CCCO1 ZINC001199763600 782087822 /nfs/dbraw/zinc/08/78/22/782087822.db2.gz SPSAFPRQTTWTII-WDEREUQCSA-N 0 3 285.344 -1.142 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cc[nH]n2)CCCO1 ZINC001199912681 782088843 /nfs/dbraw/zinc/08/88/43/782088843.db2.gz GPBSIRSRYVBIIY-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cc[nH]n2)CCCO1 ZINC001199903873 782089692 /nfs/dbraw/zinc/08/96/92/782089692.db2.gz KKJWDKGQLPKPHR-VIFPVBQESA-N 0 3 281.316 -1.284 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ccn[nH]2)CCCO1 ZINC001199903873 782089697 /nfs/dbraw/zinc/08/96/97/782089697.db2.gz KKJWDKGQLPKPHR-VIFPVBQESA-N 0 3 281.316 -1.284 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC/C=C\CNC(=O)COC ZINC001273791589 782089719 /nfs/dbraw/zinc/08/97/19/782089719.db2.gz VDHMWDABDMWYFU-WBSSQXGSSA-N 0 3 286.332 -1.261 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cc[nH]n2)CCCO1 ZINC001199912680 782089803 /nfs/dbraw/zinc/08/98/03/782089803.db2.gz GPBSIRSRYVBIIY-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN COC[C@@H](C)C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200093035 782092024 /nfs/dbraw/zinc/09/20/24/782092024.db2.gz PKLWVFUFXWZJEW-GHMZBOCLSA-N 0 3 287.360 -1.039 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)NC2CC2)n(C)c1=O ZINC001152698985 782090316 /nfs/dbraw/zinc/09/03/16/782090316.db2.gz HCSUMNCUSXNEKU-UHFFFAOYSA-N 0 3 295.343 -1.678 20 0 CAADHN Cn1nccc1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200040119 782090674 /nfs/dbraw/zinc/09/06/74/782090674.db2.gz LMUIHVVSQVBMJT-JTQLQIEISA-N 0 3 295.343 -1.274 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCOC2)CCCO1 ZINC001200022324 782090814 /nfs/dbraw/zinc/09/08/14/782090814.db2.gz ZTENRPNYCSMLEZ-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN CO[C@H](C)C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001199978848 782091212 /nfs/dbraw/zinc/09/12/12/782091212.db2.gz XKYKWQNCNAAUNK-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCOC2)CCCO1 ZINC001200020339 782091249 /nfs/dbraw/zinc/09/12/49/782091249.db2.gz PEQJNCQGBKZGTQ-WDEREUQCSA-N 0 3 285.344 -1.285 20 0 CAADHN Cn1nccc1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200040120 782091389 /nfs/dbraw/zinc/09/13/89/782091389.db2.gz LMUIHVVSQVBMJT-SNVBAGLBSA-N 0 3 295.343 -1.274 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCOC2)CCCO1 ZINC001200020336 782091445 /nfs/dbraw/zinc/09/14/45/782091445.db2.gz PEQJNCQGBKZGTQ-MNOVXSKESA-N 0 3 285.344 -1.285 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2ccon2)CCCO1 ZINC001200154489 782092488 /nfs/dbraw/zinc/09/24/88/782092488.db2.gz MJDMIANYPCSBNN-LLVKDONJSA-N 0 3 296.327 -1.091 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)CC(N)=O)CCCO1)C(N)=O ZINC001200145143 782094465 /nfs/dbraw/zinc/09/44/65/782094465.db2.gz RFCGXTPBXQSBHO-BDAKNGLRSA-N 0 3 286.332 -2.057 20 0 CAADHN CNC(=O)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000535003077 328374802 /nfs/dbraw/zinc/37/48/02/328374802.db2.gz LVSQMLBPJMHOKI-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN O=C(CO)N1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000535021098 328378278 /nfs/dbraw/zinc/37/82/78/328378278.db2.gz DQNARVZCMRGOOS-GFCCVEGCSA-N 0 3 296.371 -1.961 20 0 CAADHN COC[C@H](C)OC[C@H](O)CNCCS(=O)(=O)N(C)C ZINC000405407212 328581889 /nfs/dbraw/zinc/58/18/89/328581889.db2.gz UUHLEOGGPURWAP-WDEREUQCSA-N 0 3 298.405 -1.120 20 0 CAADHN COC[C@](C)(O)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000563897836 328695523 /nfs/dbraw/zinc/69/55/23/328695523.db2.gz YMBMJJXLOKYODL-STQMWFEESA-N 0 3 272.345 -1.043 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)/C=C\CN(C)C ZINC000491891617 533708288 /nfs/dbraw/zinc/70/82/88/533708288.db2.gz JOGUHLGXICPQCF-LWTINBJPSA-N 0 3 283.328 -1.006 20 0 CAADHN CC[C@@H](O)CN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533382115 326825259 /nfs/dbraw/zinc/82/52/59/326825259.db2.gz BBGSFXNRMHVFFS-UTUOFQBUSA-N 0 3 292.401 -1.155 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000556792155 326964938 /nfs/dbraw/zinc/96/49/38/326964938.db2.gz KEEJZCGSUYTNPK-UHFFFAOYSA-N 0 3 270.333 -1.693 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CS(=O)(=O)N(C)C)C[C@@H]1O ZINC000556977081 326987510 /nfs/dbraw/zinc/98/75/10/326987510.db2.gz IDMYROVCXIKADJ-IUCAKERBSA-N 0 3 279.362 -1.989 20 0 CAADHN COC[C@@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565668829 326992314 /nfs/dbraw/zinc/99/23/14/326992314.db2.gz DBQZKHTVWOKWTM-BBBLOLIVSA-N 0 3 298.343 -2.092 20 0 CAADHN COC[C@@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565668860 326992319 /nfs/dbraw/zinc/99/23/19/326992319.db2.gz DBQZKHTVWOKWTM-UTLUCORTSA-N 0 3 298.343 -2.092 20 0 CAADHN O=C1CN(CCNC[C@H](O)C(F)(F)F)CCN1 ZINC000569333730 326997067 /nfs/dbraw/zinc/99/70/67/326997067.db2.gz RUUUMRMXCSJUFL-ZETCQYMHSA-N 0 3 255.240 -1.069 20 0 CAADHN O=C(C[C@H]1CSCCN1)NCC(=O)N1CCNCC1 ZINC000564835869 327000128 /nfs/dbraw/zinc/00/01/28/327000128.db2.gz GYPORVMUIDGITJ-JTQLQIEISA-N 0 3 286.401 -1.371 20 0 CAADHN CC[C@H](O)CN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000557297287 327000572 /nfs/dbraw/zinc/00/05/72/327000572.db2.gz GXJPYNNPQHTZGI-NSHDSACASA-N 0 3 284.360 -2.011 20 0 CAADHN COCCCOC1CN(C(=O)C(=O)NC2CNC2)C1 ZINC000557297276 327000591 /nfs/dbraw/zinc/00/05/91/327000591.db2.gz FUABQWZTOUAQHX-UHFFFAOYSA-N 0 3 271.317 -1.662 20 0 CAADHN CSC[C@@H](C)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000557295462 327000646 /nfs/dbraw/zinc/00/06/46/327000646.db2.gz KVEHKXRHTMIKEH-NXEZZACHSA-N 0 3 288.417 -1.045 20 0 CAADHN COCCCOCCN(C)C(=O)C(=O)NC1CNC1 ZINC000557297236 327000690 /nfs/dbraw/zinc/00/06/90/327000690.db2.gz AGJLMZJGEDVYPP-UHFFFAOYSA-N 0 3 273.333 -1.414 20 0 CAADHN COC(=O)[C@]1(C)CN(C(=O)C(=O)NC2CNC2)C[C@H]1C ZINC000565763889 327006774 /nfs/dbraw/zinc/00/67/74/327006774.db2.gz LIIOQHLJSLOSJA-AMIZOPFISA-N 0 3 283.328 -1.268 20 0 CAADHN C[C@@H]1NC(=O)N(CCN2C[C@H](O)[C@@H](N(C)C)C2)C1=O ZINC000576238061 327025668 /nfs/dbraw/zinc/02/56/68/327025668.db2.gz SAUWWWCDGXIEKO-GUBZILKMSA-N 0 3 270.333 -1.467 20 0 CAADHN CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000569086649 327033330 /nfs/dbraw/zinc/03/33/30/327033330.db2.gz ADKCRWOOVFUICO-UTUOFQBUSA-N 0 3 298.387 -1.229 20 0 CAADHN COC(=O)[C@@]1(C)CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000584162902 327053667 /nfs/dbraw/zinc/05/36/67/327053667.db2.gz ASJLKYPODAZDDL-ZDUSSCGKSA-N 0 3 283.328 -1.124 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000584171877 327056917 /nfs/dbraw/zinc/05/69/17/327056917.db2.gz KFIHGVPDFNJNKK-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN CO[C@H](CN)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000584171878 327056934 /nfs/dbraw/zinc/05/69/34/327056934.db2.gz KFIHGVPDFNJNKK-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@H](NC(=O)CN1CCCNC1=O)C(=O)NCCN(C)C ZINC000584182072 327061439 /nfs/dbraw/zinc/06/14/39/327061439.db2.gz QLVONILVYVTLRL-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000558434141 327094868 /nfs/dbraw/zinc/09/48/68/327094868.db2.gz GGDOUYOEAAVTBX-CIUDSAMLSA-N 0 3 279.362 -1.943 20 0 CAADHN C[C@@H](NC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1)C(=O)N(C)C ZINC000584239686 327109902 /nfs/dbraw/zinc/10/99/02/327109902.db2.gz JBGXBFADHXYAAG-VWYCJHECSA-N 0 3 286.376 -1.814 20 0 CAADHN C[C@@H](NC(=O)C1(CO)COC1)C(=O)NCCN(C)C ZINC000584241910 327125373 /nfs/dbraw/zinc/12/53/73/327125373.db2.gz ZRVWSZGDNYYQSE-SECBINFHSA-N 0 3 273.333 -1.822 20 0 CAADHN COCCCN(C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000566091874 327132683 /nfs/dbraw/zinc/13/26/83/327132683.db2.gz MBAKRGQOCINTGL-LLVKDONJSA-N 0 3 286.376 -1.417 20 0 CAADHN NCC(F)(F)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569471556 327182935 /nfs/dbraw/zinc/18/29/35/327182935.db2.gz BIHHGRYQAATNCS-YUMQZZPRSA-N 0 3 291.302 -1.466 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)[C@H](C)CN1 ZINC000572599885 327197015 /nfs/dbraw/zinc/19/70/15/327197015.db2.gz SWOQWXQVPHJQDP-RKDXNWHRSA-N 0 3 253.306 -1.209 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN(CCO)[C@H](C)C1 ZINC000573622107 327243514 /nfs/dbraw/zinc/24/35/14/327243514.db2.gz XOWLWFIJTQAXNR-KGLIPLIRSA-N 0 3 289.420 -1.076 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN(CCO)[C@@H](C)C1 ZINC000573622108 327243553 /nfs/dbraw/zinc/24/35/53/327243553.db2.gz XOWLWFIJTQAXNR-UONOGXRCSA-N 0 3 289.420 -1.076 20 0 CAADHN NC(=O)NC(=O)CCN[C@@H](CO)CN1CCOCC1 ZINC000566230709 327248738 /nfs/dbraw/zinc/24/87/38/327248738.db2.gz BOWHSVUHQXTHGG-SECBINFHSA-N 0 3 274.321 -2.146 20 0 CAADHN Cc1noc(COCC(=O)N2CCN(C)C[C@@H]2CN)n1 ZINC000577278563 327248771 /nfs/dbraw/zinc/24/87/71/327248771.db2.gz FJHYVWSFKOTIMF-JTQLQIEISA-N 0 3 283.332 -1.004 20 0 CAADHN CCOC[C@@H](O)CN[C@@H]1CCCN(CCO)C1=O ZINC000566232221 327252055 /nfs/dbraw/zinc/25/20/55/327252055.db2.gz ZRSDAEHYLYEZDY-WDEREUQCSA-N 0 3 260.334 -1.043 20 0 CAADHN CN1C[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1=O ZINC000577887662 327286093 /nfs/dbraw/zinc/28/60/93/327286093.db2.gz ZJAVIAYFOGSQRH-OPRDCNLKSA-N 0 3 280.328 -1.765 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CNC(CO)CO)C[C@@H](C)O1 ZINC000564976107 327303336 /nfs/dbraw/zinc/30/33/36/327303336.db2.gz QPXXGZRMNSWGLQ-CKYFFXLPSA-N 0 3 262.350 -1.601 20 0 CAADHN N[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(F)(F)F ZINC000577963735 327291252 /nfs/dbraw/zinc/29/12/52/327291252.db2.gz MHVHBLMTBAUTJX-QYNIQEEDSA-N 0 3 280.250 -1.354 20 0 CAADHN NC(C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(F)(F)F ZINC000577963735 327291254 /nfs/dbraw/zinc/29/12/54/327291254.db2.gz MHVHBLMTBAUTJX-QYNIQEEDSA-N 0 3 280.250 -1.354 20 0 CAADHN C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000566300431 327293782 /nfs/dbraw/zinc/29/37/82/327293782.db2.gz KWBBFSQVHWCVAX-VHSXEESVSA-N 0 3 292.405 -1.632 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN[C@@H](CO)CN(C)C)C[C@H](C)O1 ZINC000564975658 327302297 /nfs/dbraw/zinc/30/22/97/327302297.db2.gz LYEVPYIFTZYZAL-XJFOESAGSA-N 0 3 289.420 -1.031 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN[C@H](CO)CN(C)C)C[C@@H](C)O1 ZINC000564975659 327302301 /nfs/dbraw/zinc/30/23/01/327302301.db2.gz LYEVPYIFTZYZAL-YIYPIFLZSA-N 0 3 289.420 -1.031 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)CNC(CO)CO)C[C@H](C)O1 ZINC000564976118 327303223 /nfs/dbraw/zinc/30/32/23/327303223.db2.gz QPXXGZRMNSWGLQ-UMNHJUIQSA-N 0 3 262.350 -1.601 20 0 CAADHN COC(=O)C[C@H]1CN(C(=O)[C@H](CN)OC)CCO1 ZINC000574274153 327306841 /nfs/dbraw/zinc/30/68/41/327306841.db2.gz JXUZGWJQOZOOKG-IUCAKERBSA-N 0 3 260.290 -1.249 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000560500384 327315658 /nfs/dbraw/zinc/31/56/58/327315658.db2.gz DEKXFGYKCINWGT-SNVBAGLBSA-N 0 3 297.359 -1.580 20 0 CAADHN CN(C)S(=O)(=O)N(C)CC(=O)NC[C@H]1CCCN1C ZINC000582126118 327316925 /nfs/dbraw/zinc/31/69/25/327316925.db2.gz RFZPFUMOSPMCOL-SNVBAGLBSA-N 0 3 292.405 -1.065 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)CO1 ZINC000564981101 327320392 /nfs/dbraw/zinc/32/03/92/327320392.db2.gz XFDWTJILHLCIER-KXUCPTDWSA-N 0 3 271.317 -1.615 20 0 CAADHN C[C@H](NC(=O)c1nccnc1N)C(=O)NCCN(C)C ZINC000560565797 327324986 /nfs/dbraw/zinc/32/49/86/327324986.db2.gz JWBQWJKXGOYTRL-QMMMGPOBSA-N 0 3 280.332 -1.145 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000560564737 327325164 /nfs/dbraw/zinc/32/51/64/327325164.db2.gz VQUILCBRFPONBY-LPEHRKFASA-N 0 3 285.344 -1.022 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000560564726 327325182 /nfs/dbraw/zinc/32/51/82/327325182.db2.gz VQUILCBRFPONBY-IVZWLZJFSA-N 0 3 285.344 -1.022 20 0 CAADHN C[C@@H](NC(=O)Cn1ncn(C)c1=O)C(=O)NCCN(C)C ZINC000560564162 327326202 /nfs/dbraw/zinc/32/62/02/327326202.db2.gz ANSGJNMRGKFODA-SECBINFHSA-N 0 3 298.347 -2.236 20 0 CAADHN O=C(C(=O)N1CCNC(=O)C1)N1CC[C@@H](N2CCCC2)C1 ZINC000560615092 327330642 /nfs/dbraw/zinc/33/06/42/327330642.db2.gz UUDZGGZXKVZQKZ-LLVKDONJSA-N 0 3 294.355 -1.359 20 0 CAADHN CS(=O)(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000583375740 327332263 /nfs/dbraw/zinc/33/22/63/327332263.db2.gz XVVWFHMKKAPZQB-BDAKNGLRSA-N 0 3 261.347 -1.173 20 0 CAADHN COC(=O)[C@H]1C[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000560633264 327332677 /nfs/dbraw/zinc/33/26/77/327332677.db2.gz BNFZHMUYKHCXRD-XKNYDFJKSA-N 0 3 256.302 -1.071 20 0 CAADHN CO[C@@H](CN)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000583377976 327333676 /nfs/dbraw/zinc/33/36/76/327333676.db2.gz CLXILFUBJCIKFZ-VIFPVBQESA-N 0 3 258.322 -2.150 20 0 CAADHN CCOCCOCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583392406 327340006 /nfs/dbraw/zinc/34/00/06/327340006.db2.gz GEOWRAREVHARCA-GHMZBOCLSA-N 0 3 285.344 -1.190 20 0 CAADHN CCN(CC)S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579005590 327355229 /nfs/dbraw/zinc/35/52/29/327355229.db2.gz HUXVTCGLARJAGB-ZJUUUORDSA-N 0 3 290.389 -1.183 20 0 CAADHN CCN(CC)S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000579005586 327355236 /nfs/dbraw/zinc/35/52/36/327355236.db2.gz HUXVTCGLARJAGB-VHSXEESVSA-N 0 3 290.389 -1.183 20 0 CAADHN CCN(CC)S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000579005585 327355331 /nfs/dbraw/zinc/35/53/31/327355331.db2.gz HUXVTCGLARJAGB-UWVGGRQHSA-N 0 3 290.389 -1.183 20 0 CAADHN C[N-]S(=O)(=O)c1ccc(C(=O)NCC[NH2+]C)cn1 ZINC000583439639 327365713 /nfs/dbraw/zinc/36/57/13/327365713.db2.gz DXNHBUCCQNISTC-UHFFFAOYSA-N 0 3 272.330 -1.061 20 0 CAADHN CC[C@@H](C(=O)N1CCN(S(=O)(=O)NC)CC1)N(C)C ZINC000583445539 327370833 /nfs/dbraw/zinc/37/08/33/327370833.db2.gz QLLGBHXKYMXBFA-JTQLQIEISA-N 0 3 292.405 -1.065 20 0 CAADHN CN1C[C@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000561230940 327377677 /nfs/dbraw/zinc/37/76/77/327377677.db2.gz TWXCYEOAWBNSGW-NXEZZACHSA-N 0 3 297.359 -2.565 20 0 CAADHN CC(C)[C@H]1CN(C(=O)C(=O)NC2CNC2)CCO1 ZINC000561256770 327379995 /nfs/dbraw/zinc/37/99/95/327379995.db2.gz JQPXILQEBXTWDA-SNVBAGLBSA-N 0 3 255.318 -1.042 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)C(=O)NC2CNC2)CCO1 ZINC000561256769 327380057 /nfs/dbraw/zinc/38/00/57/327380057.db2.gz JQPXILQEBXTWDA-JTQLQIEISA-N 0 3 255.318 -1.042 20 0 CAADHN COCC(=O)NC1CN(C(=O)C(=O)NC2CNC2)C1 ZINC000561256869 327380194 /nfs/dbraw/zinc/38/01/94/327380194.db2.gz YWDXKCPVSZUKIE-UHFFFAOYSA-N 0 3 270.289 -2.952 20 0 CAADHN CC(C)(O)[C@@H]1CCCN1C(=O)C(=O)NC1CNC1 ZINC000561257026 327380245 /nfs/dbraw/zinc/38/02/45/327380245.db2.gz RZGYHXAUMIWQBY-VIFPVBQESA-N 0 3 255.318 -1.164 20 0 CAADHN CC(C)OC[C@H]1CN(C(=O)C(=O)NC2CNC2)CCO1 ZINC000561257054 327380277 /nfs/dbraw/zinc/38/02/77/327380277.db2.gz UTRBTZAQGOLUTF-LLVKDONJSA-N 0 3 285.344 -1.273 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566508684 327402850 /nfs/dbraw/zinc/40/28/50/327402850.db2.gz KYASDIDPKOKEDM-CHWFTXMASA-N 0 3 298.343 -1.646 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566508695 327402895 /nfs/dbraw/zinc/40/28/95/327402895.db2.gz KYASDIDPKOKEDM-ZRUFSTJUSA-N 0 3 298.343 -1.646 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000566620526 327424193 /nfs/dbraw/zinc/42/41/93/327424193.db2.gz JUAYUUAOSKWNEF-WOPDTQHZSA-N 0 3 297.355 -1.272 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@H]2CCCCO2)[C@@H](CN)C1 ZINC000562821331 327516818 /nfs/dbraw/zinc/51/68/18/327516818.db2.gz OAZXBHGHAKCHHU-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@H]2CCCCO2)[C@H](CN)C1 ZINC000562821333 327516888 /nfs/dbraw/zinc/51/68/88/327516888.db2.gz OAZXBHGHAKCHHU-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN O=C(NCCNC(=O)c1ccccc1)C(=O)NC1CNC1 ZINC000562822384 327517011 /nfs/dbraw/zinc/51/70/11/327517011.db2.gz LVXHWVWEQZAPOE-UHFFFAOYSA-N 0 3 290.323 -1.379 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCSCC2)[C@H](CN)C1 ZINC000562961656 327530790 /nfs/dbraw/zinc/53/07/90/327530790.db2.gz KKGUPGNIIOWEQQ-SNVBAGLBSA-N 0 3 286.401 -1.337 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC(=O)N1CCNCC1 ZINC000569847330 327551500 /nfs/dbraw/zinc/55/15/00/327551500.db2.gz OFPRONRPWNOLBW-LBPRGKRZSA-N 0 3 299.375 -2.366 20 0 CAADHN CCCC(=O)NCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569868528 327552988 /nfs/dbraw/zinc/55/29/88/327552988.db2.gz UXZFVMPKQGQZJE-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN COC(=O)CC[C@@H](N)C(=O)N1CCOC[C@@H]1C(=O)OC ZINC000570214515 327576422 /nfs/dbraw/zinc/57/64/22/327576422.db2.gz RTDPPHGHIIWRJP-RKDXNWHRSA-N 0 3 288.300 -1.333 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCC[C@H]1C(=O)NC1CC1 ZINC000570265953 327579607 /nfs/dbraw/zinc/57/96/07/327579607.db2.gz QMAZQHKBPXLHRI-JTQLQIEISA-N 0 3 280.328 -1.656 20 0 CAADHN O=C(CNC[C@H]1CCCO1)NCC(=O)N1CCOCC1 ZINC000570448429 327592300 /nfs/dbraw/zinc/59/23/00/327592300.db2.gz ATIRGNTURICVOP-LLVKDONJSA-N 0 3 285.344 -1.270 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H](O)Cc2cnn(C)c2)C[C@@H]1O ZINC000570654256 327608354 /nfs/dbraw/zinc/60/83/54/327608354.db2.gz XQNUHEOJKMMKOF-SRVKXCTJSA-N 0 3 282.344 -1.543 20 0 CAADHN COC[C@@](C)(O)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000563897833 328695469 /nfs/dbraw/zinc/69/54/69/328695469.db2.gz YMBMJJXLOKYODL-CHWSQXEVSA-N 0 3 272.345 -1.043 20 0 CAADHN CN(CCNC(=O)C(=O)NC1CNC1)CC(F)(F)F ZINC000583683661 328901170 /nfs/dbraw/zinc/90/11/70/328901170.db2.gz KMZHRQLCIZTNDY-UHFFFAOYSA-N 0 3 282.266 -1.315 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NC2CNC2)C[C@H](CO)O1 ZINC000582291324 328951304 /nfs/dbraw/zinc/95/13/04/328951304.db2.gz FCRHHSPRDDMYCR-VXNVDRBHSA-N 0 3 257.290 -2.317 20 0 CAADHN CCN1C[C@@H](NC[C@@H](O)CN2CCOCC2)CC1=O ZINC000391611940 328979643 /nfs/dbraw/zinc/97/96/43/328979643.db2.gz DCROXZKZNKFBPJ-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN COc1ccnc(CNC(=O)C(=O)NC2CNC2)n1 ZINC000582481395 329095662 /nfs/dbraw/zinc/09/56/62/329095662.db2.gz WLMUVLFNIXJGOL-UHFFFAOYSA-N 0 3 265.273 -1.811 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)COC2CNC2)CCO1 ZINC000582494149 329095813 /nfs/dbraw/zinc/09/58/13/329095813.db2.gz PEUSGLFTCHLHEP-SECBINFHSA-N 0 3 258.274 -1.625 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN1CC[C@@H](C)C1 ZINC000582586911 329112797 /nfs/dbraw/zinc/11/27/97/329112797.db2.gz QASWXKBQVZJHCG-SECBINFHSA-N 0 3 278.378 -1.502 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N[C@H]1CNCCC1(F)F ZINC000582605225 329114976 /nfs/dbraw/zinc/11/49/76/329114976.db2.gz JFZGTTSECRTSOL-ZETCQYMHSA-N 0 3 285.316 -1.009 20 0 CAADHN CO[C@H](C)CS(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000582609626 329116078 /nfs/dbraw/zinc/11/60/78/329116078.db2.gz NJLIYMGDXVYLAQ-ZJUUUORDSA-N 0 3 265.379 -1.074 20 0 CAADHN CO[C@@H](C)CS(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000582609625 329116110 /nfs/dbraw/zinc/11/61/10/329116110.db2.gz NJLIYMGDXVYLAQ-VHSXEESVSA-N 0 3 265.379 -1.074 20 0 CAADHN CO[C@H](C)CS(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000582609619 329116201 /nfs/dbraw/zinc/11/62/01/329116201.db2.gz NJLIYMGDXVYLAQ-NXEZZACHSA-N 0 3 265.379 -1.074 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000582668044 329122118 /nfs/dbraw/zinc/12/21/18/329122118.db2.gz KKESKIYAVVCWRW-GRYCIOLGSA-N 0 3 269.345 -1.094 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000582723282 329130663 /nfs/dbraw/zinc/13/06/63/329130663.db2.gz CTYAZZDFDXBVBT-NTSWFWBYSA-N 0 3 269.223 -1.151 20 0 CAADHN CN(C)CCOCCNC(=O)NC(C)(CO)CO ZINC000582790150 329203875 /nfs/dbraw/zinc/20/38/75/329203875.db2.gz RYVVXYDEIJLSSF-UHFFFAOYSA-N 0 3 263.338 -1.393 20 0 CAADHN C[C@@H]1CN(CCN2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCO1 ZINC000582796286 329207918 /nfs/dbraw/zinc/20/79/18/329207918.db2.gz BCFDZIOXTRDSDN-AGIUHOORSA-N 0 3 282.388 -1.049 20 0 CAADHN C[C@@H]1CN(CCN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCO1 ZINC000582796290 329208248 /nfs/dbraw/zinc/20/82/48/329208248.db2.gz BCFDZIOXTRDSDN-UPJWGTAASA-N 0 3 282.388 -1.049 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)CC(F)(F)CN ZINC000583032201 329305258 /nfs/dbraw/zinc/30/52/58/329305258.db2.gz LWJDZIYDQZKTMU-UHFFFAOYSA-N 0 3 278.303 -1.139 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000583154227 329323861 /nfs/dbraw/zinc/32/38/61/329323861.db2.gz WRDKYOQOPNYWTI-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC[C@@H](CO)[C@@H](O)C1 ZINC000583211929 329368103 /nfs/dbraw/zinc/36/81/03/329368103.db2.gz HODAKMPINNDAEW-AVGNSLFASA-N 0 3 276.377 -1.399 20 0 CAADHN NC(=O)c1cc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccn1 ZINC000583214101 329368247 /nfs/dbraw/zinc/36/82/47/329368247.db2.gz KRPZRSCHBAQGPL-NXEZZACHSA-N 0 3 275.312 -1.071 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC[C@H](CO)[C@H](O)C1 ZINC000583211930 329368352 /nfs/dbraw/zinc/36/83/52/329368352.db2.gz HODAKMPINNDAEW-FRRDWIJNSA-N 0 3 276.377 -1.399 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC[C@@H](CO)[C@H](O)C1 ZINC000583211931 329368386 /nfs/dbraw/zinc/36/83/86/329368386.db2.gz HODAKMPINNDAEW-RWMBFGLXSA-N 0 3 276.377 -1.399 20 0 CAADHN C[C@@H](NC(=O)CNC(=O)C1CC1)C(=O)NCCN(C)C ZINC000583214254 329370077 /nfs/dbraw/zinc/37/00/77/329370077.db2.gz UHQYZZTURDTNDI-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN CN(CCOCC1CC1)C(=O)C(=O)NC1CNC1 ZINC000583743161 329471956 /nfs/dbraw/zinc/47/19/56/329471956.db2.gz OGUPPWTXNBATQJ-UHFFFAOYSA-N 0 3 255.318 -1.041 20 0 CAADHN C[C@@H](NC(=O)CN1CCCC1=O)C(=O)NCCN(C)C ZINC000564082299 329668402 /nfs/dbraw/zinc/66/84/02/329668402.db2.gz MIVXJWPRFXVMTH-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@H](NC(=O)CN1CCCC1=O)C(=O)NCCN(C)C ZINC000564082298 329668443 /nfs/dbraw/zinc/66/84/43/329668443.db2.gz MIVXJWPRFXVMTH-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CN(C)C(=O)C1(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000564110044 329673948 /nfs/dbraw/zinc/67/39/48/329673948.db2.gz NFKIWMLSWIFRHE-UWVGGRQHSA-N 0 3 269.345 -1.012 20 0 CAADHN O=C(CN1CCCNC1=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000571775417 329920003 /nfs/dbraw/zinc/92/00/03/329920003.db2.gz VMDOYPPQIGHWMY-CQSZACIVSA-N 0 3 296.371 -1.025 20 0 CAADHN COCC[C@@]1(NCC(=O)N2CCNC(=O)C2)CCOC1 ZINC000571849333 329925887 /nfs/dbraw/zinc/92/58/87/329925887.db2.gz KHAXLFSVYWFXJB-CYBMUJFWSA-N 0 3 285.344 -1.270 20 0 CAADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CNC[C@@H](O)CO ZINC000571954935 329931663 /nfs/dbraw/zinc/93/16/63/329931663.db2.gz RPIUCPMNPMRWJA-NXEZZACHSA-N 0 3 294.307 -1.414 20 0 CAADHN CN(C(=O)CN1CCS(=O)(=O)CC1)[C@@H](CN)C1CC1 ZINC000572044097 329937758 /nfs/dbraw/zinc/93/77/58/329937758.db2.gz XWTFETOCUGZOOQ-NSHDSACASA-N 0 3 289.401 -1.088 20 0 CAADHN CN(C(=O)CN1CCS(=O)(=O)CC1)[C@H](CN)C1CC1 ZINC000572044096 329937769 /nfs/dbraw/zinc/93/77/69/329937769.db2.gz XWTFETOCUGZOOQ-LLVKDONJSA-N 0 3 289.401 -1.088 20 0 CAADHN COC(=O)Cn1cc(S(=O)(=O)NC2CNC2)cn1 ZINC000572036379 329939317 /nfs/dbraw/zinc/93/93/17/329939317.db2.gz PCEWTJLUNZEPPZ-UHFFFAOYSA-N 0 3 274.302 -1.694 20 0 CAADHN C[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)N1CCN(C)CC1 ZINC000572079943 329942667 /nfs/dbraw/zinc/94/26/67/329942667.db2.gz ASMTYMLIKJGCAX-AGIUHOORSA-N 0 3 284.404 -1.244 20 0 CAADHN CCN1CCCN(C(=O)C(=O)NC2CNC2)CC1=O ZINC000572104381 329944757 /nfs/dbraw/zinc/94/47/57/329944757.db2.gz UWNRXZKYUBYHDT-UHFFFAOYSA-N 0 3 268.317 -1.845 20 0 CAADHN C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)C(=O)NCCN(C)C ZINC000572178379 329952264 /nfs/dbraw/zinc/95/22/64/329952264.db2.gz OEHRHAPHYGUBOH-UWVGGRQHSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)NCCN(C)C ZINC000572178380 329952357 /nfs/dbraw/zinc/95/23/57/329952357.db2.gz OEHRHAPHYGUBOH-VHSXEESVSA-N 0 3 284.360 -1.353 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)COC1CNC1 ZINC000572244219 329957704 /nfs/dbraw/zinc/95/77/04/329957704.db2.gz KSNDEUJFBOABPX-UHFFFAOYSA-N 0 3 273.289 -2.148 20 0 CAADHN CCOC(=O)C[C@H](C)CNC(=O)C(=O)NC1CNC1 ZINC000572228094 329958689 /nfs/dbraw/zinc/95/86/89/329958689.db2.gz GOPJRRJYGMAIKO-QMMMGPOBSA-N 0 3 271.317 -1.220 20 0 CAADHN NC1(C(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)CC1 ZINC000572365499 330005322 /nfs/dbraw/zinc/00/53/22/330005322.db2.gz UUWNEEJVLQDZHS-UHFFFAOYSA-N 0 3 288.373 -2.077 20 0 CAADHN COC(=O)NCCC(=O)N1CCN(C)C[C@@H]1CN ZINC000162370761 330007616 /nfs/dbraw/zinc/00/76/16/330007616.db2.gz NSCMYIIDYSIPJS-VIFPVBQESA-N 0 3 258.322 -1.166 20 0 CAADHN COC(=O)NCCC(=O)N1CCN(C)C[C@H]1CN ZINC000162370618 330007710 /nfs/dbraw/zinc/00/77/10/330007710.db2.gz NSCMYIIDYSIPJS-SECBINFHSA-N 0 3 258.322 -1.166 20 0 CAADHN CN(C[C@@H]1CCC[C@H]1O)C(=O)C(=O)NC1CNC1 ZINC000572382659 330035781 /nfs/dbraw/zinc/03/57/81/330035781.db2.gz ZPNGWRREJGENPL-WCBMZHEXSA-N 0 3 255.318 -1.306 20 0 CAADHN CN(C[C@H]1CCC[C@@H]1O)C(=O)C(=O)NC1CNC1 ZINC000572382658 330035845 /nfs/dbraw/zinc/03/58/45/330035845.db2.gz ZPNGWRREJGENPL-SCZZXKLOSA-N 0 3 255.318 -1.306 20 0 CAADHN N[C@@H]1C[C@H]2CN(CC(=O)NC[C@H]3CCCO3)CCN2C1=O ZINC000572424245 330067551 /nfs/dbraw/zinc/06/75/51/330067551.db2.gz AVOGWMPMOPFYPK-QJPTWQEYSA-N 0 3 296.371 -1.475 20 0 CAADHN CN1CCN(C(=O)CN2CSCC2=O)[C@H](CN)C1 ZINC000162655726 330101268 /nfs/dbraw/zinc/10/12/68/330101268.db2.gz ZAXTXJQRHHDTRQ-SECBINFHSA-N 0 3 272.374 -1.379 20 0 CAADHN CN(C)C[C@H](CO)NC[C@H](O)CN1CCOCC1 ZINC000580431383 330131319 /nfs/dbraw/zinc/13/13/19/330131319.db2.gz KMCKLFDYHNUSBH-NEPJUHHUSA-N 0 3 261.366 -1.808 20 0 CAADHN CN(C)C[C@H](CO)NC[C@@H](O)CN1CCOCC1 ZINC000580431386 330131602 /nfs/dbraw/zinc/13/16/02/330131602.db2.gz KMCKLFDYHNUSBH-VXGBXAGGSA-N 0 3 261.366 -1.808 20 0 CAADHN CC(C)(C)NS(=O)(=O)CCNC(=O)COC1CNC1 ZINC000580440261 330135594 /nfs/dbraw/zinc/13/55/94/330135594.db2.gz QLSHCJBYBMMZOY-UHFFFAOYSA-N 0 3 293.389 -1.191 20 0 CAADHN Nc1nccnc1C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000580443448 330136136 /nfs/dbraw/zinc/13/61/36/330136136.db2.gz VJENBPIVUIXCDM-UHFFFAOYSA-N 0 3 289.303 -1.161 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000580446616 330139894 /nfs/dbraw/zinc/13/98/94/330139894.db2.gz QVJDNJAHCCLVIW-GUBZILKMSA-N 0 3 272.349 -1.173 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CNCC1CC1 ZINC000423708167 533710667 /nfs/dbraw/zinc/71/06/67/533710667.db2.gz MCQLDDDWGBFLFG-JTQLQIEISA-N 0 3 283.328 -1.124 20 0 CAADHN COCCN1CC[C@@H](NC(=O)NCc2nnn(C)n2)C1 ZINC000575427377 335102772 /nfs/dbraw/zinc/10/27/72/335102772.db2.gz PMKNGLYDUYOZLD-SECBINFHSA-N 0 3 283.336 -1.270 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)COC1CNC1 ZINC000566249773 334638746 /nfs/dbraw/zinc/63/87/46/334638746.db2.gz KTZVTFLHXLGMEY-KOLCDFICSA-N 0 3 272.301 -1.500 20 0 CAADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 ZINC000516643469 333080055 /nfs/dbraw/zinc/08/00/55/333080055.db2.gz MRSCHFZTSUATJY-YIZRAAEISA-N 0 3 261.347 -1.126 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)C[C@@H]2CNCCO2)CCO1 ZINC000516780396 333082329 /nfs/dbraw/zinc/08/23/29/333082329.db2.gz AHMWVHHIXDAIGD-ZJUUUORDSA-N 0 3 272.301 -1.235 20 0 CAADHN COCCN1CCN(C(=O)C(=O)NC2CNC2)CC1=O ZINC000516917365 333086199 /nfs/dbraw/zinc/08/61/99/333086199.db2.gz ZSBVBWBDYIEKJU-UHFFFAOYSA-N 0 3 284.316 -2.608 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCc2nnn(C)n2)CC1=O ZINC000575973115 335136445 /nfs/dbraw/zinc/13/64/45/335136445.db2.gz FIQCVSDHNLSUHE-VIFPVBQESA-N 0 3 295.347 -1.764 20 0 CAADHN CC(C)(O)CC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200368045 782095818 /nfs/dbraw/zinc/09/58/18/782095818.db2.gz VPPPWWWEWIFPAM-JTQLQIEISA-N 0 3 287.360 -1.160 20 0 CAADHN COC(=O)[C@H]1COCCN1C(=O)C[C@@H]1CNCCO1 ZINC000575989398 335139164 /nfs/dbraw/zinc/13/91/64/335139164.db2.gz ARUZHPFXGXUJHI-NXEZZACHSA-N 0 3 272.301 -1.235 20 0 CAADHN COC(=O)[C@@H]1COCCN1C(=O)C[C@H]1CNCCO1 ZINC000575989399 335139181 /nfs/dbraw/zinc/13/91/81/335139181.db2.gz ARUZHPFXGXUJHI-UWVGGRQHSA-N 0 3 272.301 -1.235 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CC2(O)CCC2)CCCO1 ZINC001200444039 782095726 /nfs/dbraw/zinc/09/57/26/782095726.db2.gz IURDKFYYFKBYTG-NSHDSACASA-N 0 3 299.371 -1.016 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001152777478 782095748 /nfs/dbraw/zinc/09/57/48/782095748.db2.gz MMQNNUDQCGZOKY-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CC[N@H+](C)C[C@H](O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000575999888 335140262 /nfs/dbraw/zinc/14/02/62/335140262.db2.gz OBAGOYBNFQWMDD-UWVGGRQHSA-N 0 3 270.333 -1.465 20 0 CAADHN CC[N@@H+](C)C[C@H](O)CN1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000575999888 335140263 /nfs/dbraw/zinc/14/02/63/335140263.db2.gz OBAGOYBNFQWMDD-UWVGGRQHSA-N 0 3 270.333 -1.465 20 0 CAADHN CC[N@H+](C)C[C@H](O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000575999889 335140331 /nfs/dbraw/zinc/14/03/31/335140331.db2.gz OBAGOYBNFQWMDD-VHSXEESVSA-N 0 3 270.333 -1.465 20 0 CAADHN CC[N@@H+](C)C[C@H](O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000575999889 335140332 /nfs/dbraw/zinc/14/03/32/335140332.db2.gz OBAGOYBNFQWMDD-VHSXEESVSA-N 0 3 270.333 -1.465 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(C)C(=O)C2)CCN1C ZINC000576049753 335146018 /nfs/dbraw/zinc/14/60/18/335146018.db2.gz KLFUUHUHUWSWKJ-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)[C@@H](CN)C1 ZINC000564209112 333613265 /nfs/dbraw/zinc/61/32/65/333613265.db2.gz JPFDWZUQLBWVFK-GUBZILKMSA-N 0 3 270.333 -1.879 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]2C(N)=O)CC1=O ZINC000073356425 333971258 /nfs/dbraw/zinc/97/12/58/333971258.db2.gz UJIGHDHJLWERBQ-QWRGUYRKSA-N 0 3 296.371 -1.127 20 0 CAADHN CCN(CCO)CCNC(=O)CNC(=O)C1CC1 ZINC000546012204 334012064 /nfs/dbraw/zinc/01/20/64/334012064.db2.gz CDWIOKWPJGXGKY-UHFFFAOYSA-N 0 3 257.334 -1.057 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN2CCOC[C@H]2C1 ZINC000546046749 334014430 /nfs/dbraw/zinc/01/44/30/334014430.db2.gz WORGLLKYLIWWCG-KGLIPLIRSA-N 0 3 294.399 -1.081 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CCN2CCOC[C@H]2C1 ZINC000546046751 334014585 /nfs/dbraw/zinc/01/45/85/334014585.db2.gz WORGLLKYLIWWCG-ZIAGYGMSSA-N 0 3 294.399 -1.081 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CN2CCCNC2=O)C1 ZINC000546571436 334038397 /nfs/dbraw/zinc/03/83/97/334038397.db2.gz NDKFPGSEYWGEOT-GFCCVEGCSA-N 0 3 270.333 -1.416 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2CC(=O)N(C)C2)C1 ZINC000546591935 334039148 /nfs/dbraw/zinc/03/91/48/334039148.db2.gz BSOVIIXUWKVQSS-JOYOIKCWSA-N 0 3 270.333 -1.417 20 0 CAADHN C[C@H](NC(=O)[C@@H]1COCCO1)C(=O)NCCN(C)C ZINC000564311870 334058126 /nfs/dbraw/zinc/05/81/26/334058126.db2.gz SRUKZMJXESHUPX-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000133921514 334071361 /nfs/dbraw/zinc/07/13/61/334071361.db2.gz FTBCCMSFITUZEA-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@@H]2CCC(=O)N(C)C2)C1 ZINC000547297023 334076537 /nfs/dbraw/zinc/07/65/37/334076537.db2.gz MYHOPJWTIZESLK-MFKMUULPSA-N 0 3 284.360 -1.027 20 0 CAADHN CNC(=O)N[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000547371900 334084357 /nfs/dbraw/zinc/08/43/57/334084357.db2.gz JKFPRTLFFJNZSI-RYUDHWBXSA-N 0 3 295.387 -1.094 20 0 CAADHN COCCN(C)CCNC[C@H](O)CN1CCN(C)CC1 ZINC000564321051 334089440 /nfs/dbraw/zinc/08/94/40/334089440.db2.gz CVYXBSXGYAUTNF-AWEZNQCLSA-N 0 3 288.436 -1.238 20 0 CAADHN O=C(NC1=NCC(=O)N1)C1CCCCS1(=O)=O ZINC000547529943 334099054 /nfs/dbraw/zinc/09/90/54/334099054.db2.gz INSSANLIRGYLFF-LURJTMIESA-N 0 3 259.287 -1.444 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@@H]2CCN(C)C2=O)C1 ZINC000547779490 334117437 /nfs/dbraw/zinc/11/74/37/334117437.db2.gz FXDOQCXNHWUMRY-SKDRFNHKSA-N 0 3 270.333 -1.417 20 0 CAADHN CN(CCNC(=O)CN1CCN(C)C(=O)C1)C1CC1 ZINC000548035280 334136084 /nfs/dbraw/zinc/13/60/84/334136084.db2.gz TWJKUKHJPLTZGY-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN CN1CCC[C@H](CNC(=O)NCCS(N)(=O)=O)C1 ZINC000548765427 334173434 /nfs/dbraw/zinc/17/34/34/334173434.db2.gz VWVOCXWLENKQFL-SECBINFHSA-N 0 3 278.378 -1.084 20 0 CAADHN CC(C)N(C)CC(=O)NCC(=O)N1CCNCC1 ZINC000549903392 334208305 /nfs/dbraw/zinc/20/83/05/334208305.db2.gz KYPCFKDCAKXVMH-UHFFFAOYSA-N 0 3 256.350 -1.125 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H]1CCCN1C ZINC000139141458 334248426 /nfs/dbraw/zinc/24/84/26/334248426.db2.gz YUGTZYVFXVYJAU-SNVBAGLBSA-N 0 3 270.333 -1.551 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCCN1C ZINC000139141336 334248521 /nfs/dbraw/zinc/24/85/21/334248521.db2.gz YUGTZYVFXVYJAU-JTQLQIEISA-N 0 3 270.333 -1.551 20 0 CAADHN CN(C[C@H](O)Cn1cccn1)C[C@H](O)CN1CCOCC1 ZINC000083246124 334255984 /nfs/dbraw/zinc/25/59/84/334255984.db2.gz VOEQINKZNDJQPW-KBPBESRZSA-N 0 3 298.387 -1.131 20 0 CAADHN COC(=O)[C@H](CO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000564381722 334258121 /nfs/dbraw/zinc/25/81/21/334258121.db2.gz VUAJWIWLORVALM-UWVGGRQHSA-N 0 3 271.317 -1.974 20 0 CAADHN COCCN(C)CCNC(=O)C1(S(N)(=O)=O)CC1 ZINC000553429181 334384238 /nfs/dbraw/zinc/38/42/38/334384238.db2.gz SDQXSZYLBQZGLY-UHFFFAOYSA-N 0 3 279.362 -1.498 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000555561435 334481878 /nfs/dbraw/zinc/48/18/78/334481878.db2.gz QPTFXZNKRNNPCC-SNVBAGLBSA-N 0 3 290.389 -1.263 20 0 CAADHN CN1CCN(CC(=O)NCCNc2ccncc2)CC1=O ZINC000555974705 334492688 /nfs/dbraw/zinc/49/26/88/334492688.db2.gz NJXDSVHFIBOZNP-UHFFFAOYSA-N 0 3 291.355 -1.194 20 0 CAADHN CN(C[C@@H]1CCCO1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000564827316 334522470 /nfs/dbraw/zinc/52/24/70/334522470.db2.gz ZXMMOQJTQCJWPR-NEPJUHHUSA-N 0 3 298.387 -1.275 20 0 CAADHN CO[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000564827286 334522535 /nfs/dbraw/zinc/52/25/35/334522535.db2.gz VDYYCSIQWOQNMG-QWRGUYRKSA-N 0 3 284.360 -1.665 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)NCCn1ncnn1 ZINC000564942234 334529661 /nfs/dbraw/zinc/52/96/61/334529661.db2.gz LZFVNWCNYLSNMU-VIFPVBQESA-N 0 3 254.294 -1.442 20 0 CAADHN CCOC(=O)C[C@@H](CO)NC[C@@H](O)CN1CCOCC1 ZINC000564977376 334531514 /nfs/dbraw/zinc/53/15/14/334531514.db2.gz FNGWHJIZBGICLK-NWDGAFQWSA-N 0 3 290.360 -1.417 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN)CCO)CO1 ZINC000564977922 334531692 /nfs/dbraw/zinc/53/16/92/334531692.db2.gz BFUYKRSYQDUSLW-BDAKNGLRSA-N 0 3 259.306 -1.940 20 0 CAADHN COCCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565232019 334546839 /nfs/dbraw/zinc/54/68/39/334546839.db2.gz QEFFODNSCKGZFG-VHSXEESVSA-N 0 3 270.333 -1.024 20 0 CAADHN CN(C)[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@@H]1O ZINC000565391902 334558861 /nfs/dbraw/zinc/55/88/61/334558861.db2.gz ZTCAYGRDTMZXMI-IUCAKERBSA-N 0 3 282.300 -1.918 20 0 CAADHN COC(=O)[C@H]1COCCN1C(=O)CCOC1CNC1 ZINC000565769793 334595028 /nfs/dbraw/zinc/59/50/28/334595028.db2.gz QWELKODOELNOEH-SNVBAGLBSA-N 0 3 272.301 -1.235 20 0 CAADHN NS(=O)(=O)c1ccccc1CNC(=O)COC1CNC1 ZINC000565832530 334601216 /nfs/dbraw/zinc/60/12/16/334601216.db2.gz YUZLVOJIAGANLE-UHFFFAOYSA-N 0 3 299.352 -1.061 20 0 CAADHN CC1(C)CCCN[C@H]1C(=O)NC(C(N)=O)C(N)=O ZINC000566098162 334622207 /nfs/dbraw/zinc/62/22/07/334622207.db2.gz CHURIVJEXLDNGB-ZETCQYMHSA-N 0 3 256.306 -1.780 20 0 CAADHN CN(CC1(O)CCC1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000566091755 334621504 /nfs/dbraw/zinc/62/15/04/334621504.db2.gz AQGXMNCKGMKVFX-NSHDSACASA-N 0 3 298.387 -1.539 20 0 CAADHN CC[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)CCO1 ZINC000566091939 334621626 /nfs/dbraw/zinc/62/16/26/334621626.db2.gz VBRXBEPNKFBZSJ-VXGBXAGGSA-N 0 3 298.387 -1.275 20 0 CAADHN CCN1C[C@H](C(=O)NC[C@H]2CNCCO2)CC1=O ZINC000566104629 334623113 /nfs/dbraw/zinc/62/31/13/334623113.db2.gz VINMMZKHDONPQV-NXEZZACHSA-N 0 3 255.318 -1.041 20 0 CAADHN CCC[C@H](O)[C@@H](CO)NC[C@@H](O)CN1CCN(C)CC1 ZINC000566230696 334637031 /nfs/dbraw/zinc/63/70/31/334637031.db2.gz BEXAHGNEIUGFJC-MCIONIFRSA-N 0 3 289.420 -1.294 20 0 CAADHN C[C@H](N)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000566256907 334639206 /nfs/dbraw/zinc/63/92/06/334639206.db2.gz GDWXPNIYJCYGMV-QMMMGPOBSA-N 0 3 276.362 -2.221 20 0 CAADHN C[C@H](NC(=O)[C@@H]1COC(=O)N1)C(=O)NCCN(C)C ZINC000496320050 533714324 /nfs/dbraw/zinc/71/43/24/533714324.db2.gz DTMZCUAZUIIHJC-YUMQZZPRSA-N 0 3 272.305 -1.723 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NC2CNC2)C1 ZINC000566567045 334655867 /nfs/dbraw/zinc/65/58/67/334655867.db2.gz LQYBKTFGRZVJKW-SSDOTTSWSA-N 0 3 290.345 -2.776 20 0 CAADHN COC(=O)CNC(=O)[C@@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000566863669 334667511 /nfs/dbraw/zinc/66/75/11/334667511.db2.gz FVRQBCUWJZEZHM-UTLUCORTSA-N 0 3 273.333 -1.729 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)NC[C@@H](C1CC1)N(C)C ZINC000153662957 334676145 /nfs/dbraw/zinc/67/61/45/334676145.db2.gz AHBALVHNJHJUKG-JTQLQIEISA-N 0 3 284.360 -1.353 20 0 CAADHN COC(=O)C1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000567062564 334677730 /nfs/dbraw/zinc/67/77/30/334677730.db2.gz APSBZDQKTGHDQM-RKDXNWHRSA-N 0 3 281.312 -1.290 20 0 CAADHN COCCNCCNC(=O)CN(C)C(=O)COC ZINC000567165488 334686523 /nfs/dbraw/zinc/68/65/23/334686523.db2.gz CUHHWWPDALXIJE-UHFFFAOYSA-N 0 3 261.322 -1.557 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)COC2CNC2)CCO1 ZINC000567350728 334706997 /nfs/dbraw/zinc/70/69/97/334706997.db2.gz VXPIEMOHSOZRMR-SECBINFHSA-N 0 3 257.290 -2.052 20 0 CAADHN CCN1C[C@H](NC[C@@H](O)CN2CCN(C)CC2)CC1=O ZINC000567464901 334722459 /nfs/dbraw/zinc/72/24/59/334722459.db2.gz ABMYNDKDPQOTAH-CHWSQXEVSA-N 0 3 284.404 -1.195 20 0 CAADHN CCN1CCN(CC(=O)NC[C@H]2CNCCO2)C(=O)C1=O ZINC000567847314 334767906 /nfs/dbraw/zinc/76/79/06/334767906.db2.gz ICFVYYLYNLYJOX-SNVBAGLBSA-N 0 3 298.343 -2.218 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ncc[nH]2)CCCO1 ZINC001200443746 782096304 /nfs/dbraw/zinc/09/63/04/782096304.db2.gz HISMIHBFUHSDSN-VIFPVBQESA-N 0 3 281.316 -1.284 20 0 CAADHN CN(C)CCN1C(=O)C[C@H](NCCn2ncnn2)C1=O ZINC000568161822 334798289 /nfs/dbraw/zinc/79/82/89/334798289.db2.gz JXIZXVJFRNYOAD-VIFPVBQESA-N 0 3 281.320 -2.048 20 0 CAADHN N=c1nc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)nc2[nH][nH]cc1-2 ZINC000568257353 334809300 /nfs/dbraw/zinc/80/93/00/334809300.db2.gz KBDKLCSHKAZFHN-SVRRBLITSA-N 0 3 288.315 -1.535 20 0 CAADHN Cc1cnn(CC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000568267203 334810887 /nfs/dbraw/zinc/81/08/87/334810887.db2.gz CFRWPTVNPBNMCL-MNOVXSKESA-N 0 3 277.328 -1.038 20 0 CAADHN CCCS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568533501 334829352 /nfs/dbraw/zinc/82/93/52/334829352.db2.gz UGQJBPDJPDCCHQ-RKDXNWHRSA-N 0 3 261.347 -1.030 20 0 CAADHN COC[C@](C)(O)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000572974386 334896459 /nfs/dbraw/zinc/89/64/59/334896459.db2.gz UDVPCLNVHUGZNC-SKDRFNHKSA-N 0 3 275.349 -1.434 20 0 CAADHN CN(C)CCOCCNC(=O)CN1CCNCC1=O ZINC000573118227 334909960 /nfs/dbraw/zinc/90/99/60/334909960.db2.gz ONUUVMGOQGVKIJ-UHFFFAOYSA-N 0 3 272.349 -1.887 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000576290627 335184758 /nfs/dbraw/zinc/18/47/58/335184758.db2.gz LLSJFPLLUYDNCB-NXEZZACHSA-N 0 3 257.334 -1.072 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC000576290630 335184916 /nfs/dbraw/zinc/18/49/16/335184916.db2.gz LLSJFPLLUYDNCB-ZJUUUORDSA-N 0 3 257.334 -1.072 20 0 CAADHN CN1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@H](CN)C1 ZINC000576346813 335192481 /nfs/dbraw/zinc/19/24/81/335192481.db2.gz ZTVGDZROSCFREO-SECBINFHSA-N 0 3 297.359 -1.582 20 0 CAADHN CC(C(=O)N1CC(=O)N(C)C(=O)C1)S(C)(=O)=O ZINC000576371720 335195899 /nfs/dbraw/zinc/19/58/99/335195899.db2.gz DWYJMXJYUKSHDU-ZCFIWIBFSA-N 0 3 262.287 -1.753 20 0 CAADHN CC1(C)[C@@H](O)C[C@@H]1NCC(=O)N1CCNC(=O)C1 ZINC000576475855 335209071 /nfs/dbraw/zinc/20/90/71/335209071.db2.gz NXWNBSNRBZLAPB-IUCAKERBSA-N 0 3 255.318 -1.306 20 0 CAADHN CC1(C)[C@H](NCC(=O)N2CCNC(=O)C2)C[C@@H]1O ZINC000576475853 335209119 /nfs/dbraw/zinc/20/91/19/335209119.db2.gz NXWNBSNRBZLAPB-BDAKNGLRSA-N 0 3 255.318 -1.306 20 0 CAADHN COCCN1CCCN(C(=O)[C@@H](CN)OC)CC1=O ZINC000576577003 335218458 /nfs/dbraw/zinc/21/84/58/335218458.db2.gz UXLHFUPDMBVDJU-SNVBAGLBSA-N 0 3 273.333 -1.333 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000576597311 335224723 /nfs/dbraw/zinc/22/47/23/335224723.db2.gz OGKYPQIEJZXULD-BDAKNGLRSA-N 0 3 272.349 -1.320 20 0 CAADHN CCN1CCN(C(=O)NCC(=O)N2CCNCC2)CC1 ZINC000576688395 335234743 /nfs/dbraw/zinc/23/47/43/335234743.db2.gz ZBIKTVQIHPMGCD-UHFFFAOYSA-N 0 3 283.376 -1.235 20 0 CAADHN CN(CCN)C(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000576755428 335243977 /nfs/dbraw/zinc/24/39/77/335243977.db2.gz KMSZNPLHXJSQLI-VIFPVBQESA-N 0 3 284.360 -1.081 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCSC[C@@H]1C(N)=O ZINC000576765122 335245205 /nfs/dbraw/zinc/24/52/05/335245205.db2.gz FOXRYBHGNPRXRI-WDEREUQCSA-N 0 3 291.417 -1.172 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@@H]1O ZINC000576766001 335245644 /nfs/dbraw/zinc/24/56/44/335245644.db2.gz RSBAVTMFFPVJTJ-GUBZILKMSA-N 0 3 255.318 -1.354 20 0 CAADHN CC(C)(C)c1nnc2n1CCN(C(=O)C(=O)NCCN)C2 ZINC000576769082 335246189 /nfs/dbraw/zinc/24/61/89/335246189.db2.gz HZOJFAWWEIBJAY-UHFFFAOYSA-N 0 3 294.359 -1.007 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)COC1CNC1 ZINC000576866533 335257621 /nfs/dbraw/zinc/25/76/21/335257621.db2.gz BUMADIFLQLFRTO-UHFFFAOYSA-N 0 3 270.333 -2.135 20 0 CAADHN CN(C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC000176382514 335266578 /nfs/dbraw/zinc/26/65/78/335266578.db2.gz NYYBUAQHNKZFBD-UHFFFAOYSA-N 0 3 251.352 -1.054 20 0 CAADHN CC(C)[C@@H](N)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000580548234 335276215 /nfs/dbraw/zinc/27/62/15/335276215.db2.gz KPNHUWZGBJJDNZ-SNVBAGLBSA-N 0 3 292.405 -1.598 20 0 CAADHN CN(C)[C@H]1CN(CCS(=O)(=O)N(C)C)C[C@@H]1O ZINC000580567216 335283627 /nfs/dbraw/zinc/28/36/27/335283627.db2.gz SAKFNNXWMZFITB-UWVGGRQHSA-N 0 3 265.379 -1.516 20 0 CAADHN CC(C)NC(=O)CN(C)CC(=O)NC[C@H]1CNCCO1 ZINC000580563190 335286712 /nfs/dbraw/zinc/28/67/12/335286712.db2.gz GKGOTRYALVCOAC-LLVKDONJSA-N 0 3 286.376 -1.453 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@@H]2CNCCC2(F)F)C1=O ZINC000580565472 335287331 /nfs/dbraw/zinc/28/73/31/335287331.db2.gz PCEHCBIBEJHGFU-SSDOTTSWSA-N 0 3 290.270 -1.006 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000577072595 335295491 /nfs/dbraw/zinc/29/54/91/335295491.db2.gz PYTMPGXZQSLPEV-UHFFFAOYSA-N 0 3 296.371 -1.160 20 0 CAADHN CCN1CCO[C@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000577123547 335304465 /nfs/dbraw/zinc/30/44/65/335304465.db2.gz PEYFABCSDUYHIQ-SRVKXCTJSA-N 0 3 271.361 -1.160 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCOC[C@@H]1CC(N)=O ZINC000577230591 335327117 /nfs/dbraw/zinc/32/71/17/335327117.db2.gz RZGAPSJWMPBOBU-NWDGAFQWSA-N 0 3 289.376 -1.498 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCOC[C@H]1CC(N)=O ZINC000577230593 335327133 /nfs/dbraw/zinc/32/71/33/335327133.db2.gz RZGAPSJWMPBOBU-VXGBXAGGSA-N 0 3 289.376 -1.498 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCOC[C@@H]1CC(N)=O ZINC000577230592 335327383 /nfs/dbraw/zinc/32/73/83/335327383.db2.gz RZGAPSJWMPBOBU-RYUDHWBXSA-N 0 3 289.376 -1.498 20 0 CAADHN Cn1cc(CNCCN2CCCOCC2)c(=O)n(C)c1=O ZINC000577326792 335339043 /nfs/dbraw/zinc/33/90/43/335339043.db2.gz QQSGXRVOUHVGAK-UHFFFAOYSA-N 0 3 296.371 -1.104 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CCNS(C)(=O)=O)C[C@@H]1O ZINC000577412721 335350230 /nfs/dbraw/zinc/35/02/30/335350230.db2.gz PIUBKNIBTPSYKX-IUCAKERBSA-N 0 3 279.362 -1.941 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)COC[C@@H]3CCCO3)CCN2C1=O ZINC000577507891 335362034 /nfs/dbraw/zinc/36/20/34/335362034.db2.gz AVQYVRWQRXUCCX-GRYCIOLGSA-N 0 3 297.355 -1.048 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)COC[C@@H]3CCCO3)CCN2C1=O ZINC000577507894 335362142 /nfs/dbraw/zinc/36/21/42/335362142.db2.gz AVQYVRWQRXUCCX-SDDRHHMPSA-N 0 3 297.355 -1.048 20 0 CAADHN COC(=O)CNC(=O)CCN1CC(C)(C(N)=O)C1 ZINC000577509835 335362451 /nfs/dbraw/zinc/36/24/51/335362451.db2.gz MJZBJDAUTCEHTF-UHFFFAOYSA-N 0 3 257.290 -1.527 20 0 CAADHN CCO[C@@H]1C[C@@H](NC(=O)C(=O)NC2CNC2)[C@@H]1OC ZINC000577593940 335375025 /nfs/dbraw/zinc/37/50/25/335375025.db2.gz JITZEHIDPMVSJR-BBBLOLIVSA-N 0 3 271.317 -1.617 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)COC2CNC2)O1 ZINC000577607212 335377301 /nfs/dbraw/zinc/37/73/01/335377301.db2.gz BWIKBVGQGOBBFV-ONGXEEELSA-N 0 3 285.344 -1.273 20 0 CAADHN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)COC2CNC2)O1 ZINC000577607211 335377343 /nfs/dbraw/zinc/37/73/43/335377343.db2.gz BWIKBVGQGOBBFV-MWLCHTKSSA-N 0 3 285.344 -1.273 20 0 CAADHN CN(C)C(=O)c1cc(S(=O)(=O)NC2CNC2)cn1C ZINC000577608816 335377487 /nfs/dbraw/zinc/37/74/87/335377487.db2.gz GALGZLXZAMVNGE-UHFFFAOYSA-N 0 3 286.357 -1.023 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000577620628 335379759 /nfs/dbraw/zinc/37/97/59/335379759.db2.gz ZCHRFJAKLYWKIA-MRVPVSSYSA-N 0 3 276.362 -1.607 20 0 CAADHN CN1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@@H](CN)C1 ZINC000577625768 335381375 /nfs/dbraw/zinc/38/13/75/335381375.db2.gz RQLRUEYJDOWYPP-VHSXEESVSA-N 0 3 275.374 -1.335 20 0 CAADHN CN1CCN(C(=O)C(=O)NC2CCC2)[C@@H](CN)C1 ZINC000577627690 335382022 /nfs/dbraw/zinc/38/20/22/335382022.db2.gz FDORXGUEUFMREE-JTQLQIEISA-N 0 3 254.334 -1.244 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)N3CCOCC3)CCN2C1=O ZINC000577866877 335414497 /nfs/dbraw/zinc/41/44/97/335414497.db2.gz IBYVVZNTJBMPBU-UWVGGRQHSA-N 0 3 268.317 -1.318 20 0 CAADHN CC(C)(C)CNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000577867955 335414763 /nfs/dbraw/zinc/41/47/63/335414763.db2.gz JZVOKFYLDFGUAF-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)CN3CSCC3=O)CCN2C1=O ZINC000578248198 335592298 /nfs/dbraw/zinc/59/22/98/335592298.db2.gz YTIBSXBQYCDSGN-BDAKNGLRSA-N 0 3 298.368 -1.710 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H](CN)OC ZINC000578324603 335607806 /nfs/dbraw/zinc/60/78/06/335607806.db2.gz PEMRVRKLPAFEMP-HLTSFMKQSA-N 0 3 260.290 -1.515 20 0 CAADHN C[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCN(C)C[C@H]2CN)O1 ZINC000578336224 335614051 /nfs/dbraw/zinc/61/40/51/335614051.db2.gz VZUXENUKOYNTNX-IJLUTSLNSA-N 0 3 298.387 -1.229 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@@H]1O ZINC000578336712 335614100 /nfs/dbraw/zinc/61/41/00/335614100.db2.gz NESOKLRYKQIODD-GUBZILKMSA-N 0 3 270.333 -1.337 20 0 CAADHN COC(=O)c1cn(CCNC(=O)COC2CNC2)nn1 ZINC000578530139 335646158 /nfs/dbraw/zinc/64/61/58/335646158.db2.gz ROUYPIGOBAIXBC-UHFFFAOYSA-N 0 3 283.288 -1.831 20 0 CAADHN CCC[C@H](N)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578767428 335672602 /nfs/dbraw/zinc/67/26/02/335672602.db2.gz UTLANZFJJZXLDR-KXUCPTDWSA-N 0 3 254.334 -1.116 20 0 CAADHN CCC[C@H](N)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578767429 335672692 /nfs/dbraw/zinc/67/26/92/335672692.db2.gz UTLANZFJJZXLDR-LPEHRKFASA-N 0 3 254.334 -1.116 20 0 CAADHN CN(C)[C@H]1CN(CC(=O)N(C)Cc2cnn(C)c2)C[C@@H]1O ZINC000579124266 335712877 /nfs/dbraw/zinc/71/28/77/335712877.db2.gz HTVITPIKMGINMA-STQMWFEESA-N 0 3 295.387 -1.015 20 0 CAADHN COC(=O)[C@H]1C[C@H]1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000579373461 335741922 /nfs/dbraw/zinc/74/19/22/335741922.db2.gz VQUILCBRFPONBY-BBBLOLIVSA-N 0 3 285.344 -1.022 20 0 CAADHN Cc1cnn(C)c1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000579598632 335818141 /nfs/dbraw/zinc/81/81/41/335818141.db2.gz MFFNIZYDOOSFNE-JTQLQIEISA-N 0 3 287.389 -1.008 20 0 CAADHN Cc1cnn(C)c1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000579598633 335818273 /nfs/dbraw/zinc/81/82/73/335818273.db2.gz MFFNIZYDOOSFNE-SNVBAGLBSA-N 0 3 287.389 -1.008 20 0 CAADHN C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000579689843 335865967 /nfs/dbraw/zinc/86/59/67/335865967.db2.gz HXSCHXBUZZXCND-UVOCVTCTSA-N 0 3 297.355 -1.023 20 0 CAADHN CN1CCN(C[C@H](O)CN[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000579827398 335899618 /nfs/dbraw/zinc/89/96/18/335899618.db2.gz NBSFIRALCMJAHP-TZMCWYRMSA-N 0 3 296.415 -1.052 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)C(=O)NCCN(C)C)C1 ZINC000579852495 335908729 /nfs/dbraw/zinc/90/87/29/335908729.db2.gz OGJXBBFJOUZEER-VIFPVBQESA-N 0 3 284.360 -1.353 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@@H]1O ZINC000579970834 335940519 /nfs/dbraw/zinc/94/05/19/335940519.db2.gz MSDIBIICWITAME-QWRGUYRKSA-N 0 3 284.360 -2.106 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000580978413 335991784 /nfs/dbraw/zinc/99/17/84/335991784.db2.gz AJOTWJMKKRUYFZ-MRVPVSSYSA-N 0 3 273.337 -1.902 20 0 CAADHN COC(=O)c1cn(CCNC(=O)CNC2CC2)nn1 ZINC000581006312 335995041 /nfs/dbraw/zinc/99/50/41/335995041.db2.gz GRAIGDYGJQWMLE-UHFFFAOYSA-N 0 3 267.289 -1.067 20 0 CAADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)CCCF)CCN2C1=O ZINC000581082725 336006270 /nfs/dbraw/zinc/00/62/70/336006270.db2.gz MQVBGTPZIMVWLL-DTWKUNHWSA-N 0 3 279.337 -1.080 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCCC[C@@H]1CN(C)C ZINC000581171737 336018976 /nfs/dbraw/zinc/01/89/76/336018976.db2.gz ISYDLGAFYKRQDD-SNVBAGLBSA-N 0 3 292.405 -1.017 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)C[C@H]1CNCCO1 ZINC000581193735 336022520 /nfs/dbraw/zinc/02/25/20/336022520.db2.gz RJMZVKIMNUMOSS-UWVGGRQHSA-N 0 3 299.327 -1.745 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)C[C@@H]1O ZINC000581260556 336033973 /nfs/dbraw/zinc/03/39/73/336033973.db2.gz CYVKXZGNKMFQGC-XQQFMLRXSA-N 0 3 282.388 -1.490 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)C(N)C(F)(F)F ZINC000581426077 336075142 /nfs/dbraw/zinc/07/51/42/336075142.db2.gz FAUKSYPPVVTMES-QMMMGPOBSA-N 0 3 282.266 -1.234 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@H](F)C[C@H]1C(N)=O ZINC000581437494 336077557 /nfs/dbraw/zinc/07/75/57/336077557.db2.gz NIHQXWHTHBOYMZ-VWYCJHECSA-N 0 3 277.340 -1.177 20 0 CAADHN CCN1CCN(CC(=O)N2CCN(C)C[C@@H]2CN)CC1 ZINC000581550617 336101043 /nfs/dbraw/zinc/10/10/43/336101043.db2.gz HRHZCRPTRONFHP-ZDUSSCGKSA-N 0 3 283.420 -1.275 20 0 CAADHN CC(C)(C)C(=O)NCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581559122 336103124 /nfs/dbraw/zinc/10/31/24/336103124.db2.gz NLVPHVYZFGVJDU-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H](NC1CC1)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000383256455 336106400 /nfs/dbraw/zinc/10/64/00/336106400.db2.gz DKKVJCFPVNFGEA-MRVPVSSYSA-N 0 3 276.362 -1.525 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000581598189 336109488 /nfs/dbraw/zinc/10/94/88/336109488.db2.gz GZQRHDCLRPWAEF-LBPRGKRZSA-N 0 3 297.355 -1.272 20 0 CAADHN CO[C@H](CN)C(=O)N1CCO[C@H]2CCN(C)C[C@H]21 ZINC000581602895 336110275 /nfs/dbraw/zinc/11/02/75/336110275.db2.gz YZMYYUJKFYUYHA-OUAUKWLOSA-N 0 3 257.334 -1.108 20 0 CAADHN O=C(CCn1ccnn1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000581606465 336111241 /nfs/dbraw/zinc/11/12/41/336111241.db2.gz NDBNQBFRLUFTFO-UHFFFAOYSA-N 0 3 291.319 -1.165 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@@H](O)C[C@H]1C(=O)OC ZINC000383916571 336119210 /nfs/dbraw/zinc/11/92/10/336119210.db2.gz QWVXIZFPGYNJKH-SRVKXCTJSA-N 0 3 290.360 -1.466 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@H](O)C[C@H]1C(=O)OC ZINC000383916572 336119241 /nfs/dbraw/zinc/11/92/41/336119241.db2.gz QWVXIZFPGYNJKH-WOPDTQHZSA-N 0 3 290.360 -1.466 20 0 CAADHN COC(=O)Cn1cc(CNC[C@@H](O)CN(C)C2CC2)nn1 ZINC000581808972 336146587 /nfs/dbraw/zinc/14/65/87/336146587.db2.gz DBWHOOYGDXGXHH-GFCCVEGCSA-N 0 3 297.359 -1.004 20 0 CAADHN CN1C[C@@H](NC[C@@H](O)CN2CCOCC2)CC1=O ZINC000385925599 336161898 /nfs/dbraw/zinc/16/18/98/336161898.db2.gz KCWZYQBLJUBHNI-WDEREUQCSA-N 0 3 257.334 -1.500 20 0 CAADHN CC(C)[C@@H](N)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581895858 336162378 /nfs/dbraw/zinc/16/23/78/336162378.db2.gz RIOYHDZNIDMRTB-KXUCPTDWSA-N 0 3 254.334 -1.260 20 0 CAADHN CCCN(C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000581937981 336172626 /nfs/dbraw/zinc/17/26/26/336172626.db2.gz PBSQPXAIZTWNMG-SNVBAGLBSA-N 0 3 256.350 -1.044 20 0 CAADHN COCCCN(C)CCNC(=O)C1(S(N)(=O)=O)CC1 ZINC000582007387 336190054 /nfs/dbraw/zinc/19/00/54/336190054.db2.gz SZYCPZWBVIQXRM-UHFFFAOYSA-N 0 3 293.389 -1.108 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC(=O)N[C@H](C)C1 ZINC000582012093 336191652 /nfs/dbraw/zinc/19/16/52/336191652.db2.gz WIDMFJAMOBJFSG-MNOVXSKESA-N 0 3 259.350 -1.254 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC(=O)N[C@@H](C)C1 ZINC000582012094 336191763 /nfs/dbraw/zinc/19/17/63/336191763.db2.gz WIDMFJAMOBJFSG-QWRGUYRKSA-N 0 3 259.350 -1.254 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCNC2=O)CCCO1 ZINC001201147812 782100570 /nfs/dbraw/zinc/10/05/70/782100570.db2.gz RGAXAMIFDWEXFY-VHSXEESVSA-N 0 3 298.343 -2.185 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201111891 782100705 /nfs/dbraw/zinc/10/07/05/782100705.db2.gz FDCOGQLXEXADRL-SECBINFHSA-N 0 3 296.331 -1.581 20 0 CAADHN CCOC[C@@H](O)CN[C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001252052417 782100831 /nfs/dbraw/zinc/10/08/31/782100831.db2.gz LUKUSGJUGLPSKV-CIUDSAMLSA-N 0 3 261.322 -1.648 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)CCCO1 ZINC001201147809 782100849 /nfs/dbraw/zinc/10/08/49/782100849.db2.gz RGAXAMIFDWEXFY-NXEZZACHSA-N 0 3 298.343 -2.185 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCO1 ZINC001201203688 782101361 /nfs/dbraw/zinc/10/13/61/782101361.db2.gz CWJDUVYEHKRQCD-MEWQQHAOSA-N 0 3 297.355 -1.429 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)C(N)=O)CCCO1)C(N)=O ZINC001201293011 782101631 /nfs/dbraw/zinc/10/16/31/782101631.db2.gz JMEMKCBXRNGDLO-JGVFFNPUSA-N 0 3 272.305 -2.447 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201292478 782101983 /nfs/dbraw/zinc/10/19/83/782101983.db2.gz GURNEHSJMIDABE-MRVPVSSYSA-N 0 3 272.305 -2.575 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2cnoc2)CCCO1 ZINC001201232734 782102217 /nfs/dbraw/zinc/10/22/17/782102217.db2.gz HZZGPNFULPDBBM-LLVKDONJSA-N 0 3 296.327 -1.091 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)C(N)=O)CCCO1)C(N)=O ZINC001201293014 782102440 /nfs/dbraw/zinc/10/24/40/782102440.db2.gz JMEMKCBXRNGDLO-SFYZADRCSA-N 0 3 272.305 -2.447 20 0 CAADHN CC[C@@H](NC[C@@H]1CN(C(=O)C(N)=O)CCCO1)C(N)=O ZINC001201293313 782102450 /nfs/dbraw/zinc/10/24/50/782102450.db2.gz JNVZZVHPKJHQLS-RKDXNWHRSA-N 0 3 286.332 -2.057 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201301565 782103075 /nfs/dbraw/zinc/10/30/75/782103075.db2.gz FDEKAJCZQUDHIP-VIFPVBQESA-N 0 3 286.332 -2.185 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269892 782103489 /nfs/dbraw/zinc/10/34/89/782103489.db2.gz VDQVUTMLHYVXGW-BDAKNGLRSA-N 0 3 299.331 -2.640 20 0 CAADHN CC(C)[C@H](NC[C@H](O)CO)C(=O)N1CCOCC1 ZINC001252071407 782103653 /nfs/dbraw/zinc/10/36/53/782103653.db2.gz IGILXEZEOUMBEW-QWRGUYRKSA-N 0 3 260.334 -1.187 20 0 CAADHN NC(=O)C(=O)N1CCCO[C@@H](CNCC(=O)N2CCC2)C1 ZINC001201301462 782103721 /nfs/dbraw/zinc/10/37/21/782103721.db2.gz BKRHEJHNJLDSLM-JTQLQIEISA-N 0 3 298.343 -2.089 20 0 CAADHN NC(=O)C(=O)N1CCCO[C@H](CNCC(=O)NC2CC2)C1 ZINC001201302446 782103748 /nfs/dbraw/zinc/10/37/48/782103748.db2.gz RCBQKGUWARAUBP-SNVBAGLBSA-N 0 3 298.343 -2.043 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCCO1 ZINC001201269894 782103799 /nfs/dbraw/zinc/10/37/99/782103799.db2.gz VDQVUTMLHYVXGW-IUCAKERBSA-N 0 3 299.331 -2.640 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ccncn2)CCCO1 ZINC001201678127 782104909 /nfs/dbraw/zinc/10/49/09/782104909.db2.gz GKXKUQDBKKKAGT-SNVBAGLBSA-N 0 3 293.327 -1.217 20 0 CAADHN CNC(=O)C[NH2+]C1CCN(C(=O)c2cn[n-]n2)CC1 ZINC001201428758 782104942 /nfs/dbraw/zinc/10/49/42/782104942.db2.gz PTRWUAVCDVEKRT-UHFFFAOYSA-N 0 3 266.305 -1.255 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2nc[nH]n2)CCCO1 ZINC001201669256 782105008 /nfs/dbraw/zinc/10/50/08/782105008.db2.gz QIRXXOIUAPBYGE-VIFPVBQESA-N 0 3 296.331 -1.629 20 0 CAADHN CN1CC[C@@H](NC/C=C/CNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001273901568 782105428 /nfs/dbraw/zinc/10/54/28/782105428.db2.gz RFXKHTOYRLJHCR-WUNPDAOYSA-N 0 3 294.355 -1.242 20 0 CAADHN O=C(c1cn[n-]n1)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001273893527 782105492 /nfs/dbraw/zinc/10/54/92/782105492.db2.gz HBQOJSYYNVHWNT-NSHDSACASA-N 0 3 269.305 -1.646 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2nc[nH]n2)CCCO1 ZINC001201669253 782105636 /nfs/dbraw/zinc/10/56/36/782105636.db2.gz QIRXXOIUAPBYGE-SECBINFHSA-N 0 3 296.331 -1.629 20 0 CAADHN O=C(NC/C=C/CN[C@H]1CCCNC1=O)[C@H]1CCC(=O)N1 ZINC001273901092 782105731 /nfs/dbraw/zinc/10/57/31/782105731.db2.gz NIFLXKXGPGDGKH-ATOIVCMTSA-N 0 3 294.355 -1.194 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CCCO1 ZINC001201890933 782106199 /nfs/dbraw/zinc/10/61/99/782106199.db2.gz HMQNJPXCGUIMDO-UWVGGRQHSA-N 0 3 298.343 -2.043 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cnon2)CCCO1)C(N)=O ZINC001201688901 782106219 /nfs/dbraw/zinc/10/62/19/782106219.db2.gz ULUSZYXFSQUOES-DTWKUNHWSA-N 0 3 297.315 -1.236 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2nc[nH]n2)CCCO1)C(N)=O ZINC001201659950 782106367 /nfs/dbraw/zinc/10/63/67/782106367.db2.gz VMZWKBJNZHFNLH-RKDXNWHRSA-N 0 3 296.331 -1.501 20 0 CAADHN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)CCCO1)C(N)=O ZINC001201659950 782106378 /nfs/dbraw/zinc/10/63/78/782106378.db2.gz VMZWKBJNZHFNLH-RKDXNWHRSA-N 0 3 296.331 -1.501 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ncccn2)CCCO1 ZINC001201696525 782107200 /nfs/dbraw/zinc/10/72/00/782107200.db2.gz YFVLRAKGWOHAJB-JTQLQIEISA-N 0 3 293.327 -1.217 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cnon2)CCCO1 ZINC001201687946 782107572 /nfs/dbraw/zinc/10/75/72/782107572.db2.gz LBPUDCAJNUTFEO-SECBINFHSA-N 0 3 297.315 -1.364 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2nc[nH]n2)CCCO1 ZINC001201659912 782107676 /nfs/dbraw/zinc/10/76/76/782107676.db2.gz UQGLGTHUMDCFGR-QMMMGPOBSA-N 0 3 282.304 -1.889 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCNCC(N)=O ZINC001152777194 782096416 /nfs/dbraw/zinc/09/64/16/782096416.db2.gz GKPPEGCWDPGGDG-SECBINFHSA-N 0 3 256.306 -1.812 20 0 CAADHN Cn1nncc1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200397095 782096454 /nfs/dbraw/zinc/09/64/54/782096454.db2.gz RJIHPPAZXZDYDU-SECBINFHSA-N 0 3 296.331 -1.879 20 0 CAADHN OCC(CO)(CO)NC(=S)NCCN1CCCCC1 ZINC001200438590 782096489 /nfs/dbraw/zinc/09/64/89/782096489.db2.gz DBMLOPCLUYEPAP-UHFFFAOYSA-N 0 3 291.417 -1.348 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200410824 782096805 /nfs/dbraw/zinc/09/68/05/782096805.db2.gz DXLGSDQSJZTTOR-CMPLNLGQSA-N 0 3 287.360 -1.304 20 0 CAADHN O=C(Cn1ncnn1)N1CCCO[C@@H](CNCCF)C1 ZINC001200520202 782097406 /nfs/dbraw/zinc/09/74/06/782097406.db2.gz QFYPWTMQWHDMEJ-JTQLQIEISA-N 0 3 286.311 -1.150 20 0 CAADHN CC[C@@H](NC/C=C\CNC(=O)CC(N)=O)C(N)=O ZINC001273918343 782108746 /nfs/dbraw/zinc/10/87/46/782108746.db2.gz DIXAKIVBJHMBFS-TUUFMJSCSA-N 0 3 256.306 -1.612 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]n2)CCCO1 ZINC001200865907 782098562 /nfs/dbraw/zinc/09/85/62/782098562.db2.gz NMRJXNANRVVDAZ-SECBINFHSA-N 0 3 296.331 -1.629 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cn[nH]n2)CCCO1)C(N)=O ZINC001200866155 782098577 /nfs/dbraw/zinc/09/85/77/782098577.db2.gz QKERFWYYOVFJLF-BDAKNGLRSA-N 0 3 296.331 -1.501 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]n2)CCCO1 ZINC001200866780 782098671 /nfs/dbraw/zinc/09/86/71/782098671.db2.gz XHJYJFJCAKVSAL-MRVPVSSYSA-N 0 3 282.304 -1.889 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cn[nH]n2)CCCO1)C(N)=O ZINC001200866159 782098794 /nfs/dbraw/zinc/09/87/94/782098794.db2.gz QKERFWYYOVFJLF-IUCAKERBSA-N 0 3 296.331 -1.501 20 0 CAADHN Cn1cncc1C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200887802 782098853 /nfs/dbraw/zinc/09/88/53/782098853.db2.gz ROFQFLDMPUQLFL-SNVBAGLBSA-N 0 3 295.343 -1.274 20 0 CAADHN O=C(c1cnc[n-]c1=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200767414 782099031 /nfs/dbraw/zinc/09/90/31/782099031.db2.gz PTBIDCNSMHTCPW-JTQLQIEISA-N 0 3 296.327 -1.005 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cn[nH]n2)CCCO1)C(N)=O ZINC001200866158 782099345 /nfs/dbraw/zinc/09/93/45/782099345.db2.gz QKERFWYYOVFJLF-DTWKUNHWSA-N 0 3 296.331 -1.501 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cn2cncn2)CCCO1 ZINC001202006663 782109306 /nfs/dbraw/zinc/10/93/06/782109306.db2.gz SYRSGQPJSGVUMG-SNVBAGLBSA-N 0 3 296.331 -2.030 20 0 CAADHN COC(=O)CN1CC2(C1)COCC(=O)N2CCN(C)C ZINC001273930826 782110360 /nfs/dbraw/zinc/11/03/60/782110360.db2.gz COJWGSODBDRPAV-UHFFFAOYSA-N 0 3 285.344 -1.366 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cn2ccnc2)CCCO1 ZINC001202217642 782110132 /nfs/dbraw/zinc/11/01/32/782110132.db2.gz RHRIHJUZSZUVGO-LLVKDONJSA-N 0 3 295.343 -1.425 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cn2ccnc2)CCCO1 ZINC001202217643 782110155 /nfs/dbraw/zinc/11/01/55/782110155.db2.gz RHRIHJUZSZUVGO-NSHDSACASA-N 0 3 295.343 -1.425 20 0 CAADHN Cc1nonc1C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001202226770 782110902 /nfs/dbraw/zinc/11/09/02/782110902.db2.gz KBOXRXAXKOZMKM-VIFPVBQESA-N 0 3 297.315 -1.316 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn2cc[nH]c12)C(N)=O ZINC001149042797 782113796 /nfs/dbraw/zinc/11/37/96/782113796.db2.gz SOLQCKOMCWQJEA-ZETCQYMHSA-N 0 3 264.289 -1.144 20 0 CAADHN CNC(=O)CCCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001153053665 782114451 /nfs/dbraw/zinc/11/44/51/782114451.db2.gz XCFPDTAFLLTGDN-SNVBAGLBSA-N 0 3 284.360 -1.113 20 0 CAADHN COC(=O)[C@H](O)CNCCNC(=O)c1ccncc1 ZINC001252436924 782115102 /nfs/dbraw/zinc/11/51/02/782115102.db2.gz NAPHEGFZLZXIGD-SNVBAGLBSA-N 0 3 267.285 -1.065 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001110623313 782113513 /nfs/dbraw/zinc/11/35/13/782113513.db2.gz GZHWGCGWQXTISI-UTUOFQBUSA-N 0 3 299.371 -1.195 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCCC(N)=O ZINC001153456242 782116509 /nfs/dbraw/zinc/11/65/09/782116509.db2.gz WARBVXLTXRKAPZ-UHFFFAOYSA-N 0 3 287.320 -2.197 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001114374024 782118302 /nfs/dbraw/zinc/11/83/02/782118302.db2.gz LZPIGAQVKMZPDJ-QCBRBAQYSA-N 0 3 295.343 -2.150 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)Cn1ccnc1 ZINC001153487969 782116942 /nfs/dbraw/zinc/11/69/42/782116942.db2.gz XAALSQDBJQMAEW-UHFFFAOYSA-N 0 3 297.359 -1.258 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CCCC(N)=O)C1=O ZINC001153461317 782116953 /nfs/dbraw/zinc/11/69/53/782116953.db2.gz KNNPCKOOQVWJLO-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN NC(=O)CCCC(=O)NCCNCC(=O)NC1CC1 ZINC001153456118 782116973 /nfs/dbraw/zinc/11/69/73/782116973.db2.gz SXYCLVFFLSPVFF-UHFFFAOYSA-N 0 3 270.333 -1.374 20 0 CAADHN CN(C)C(=O)[C@H]1CC[C@@H](CNS(=O)(=O)C2CNC2)O1 ZINC000923634162 782122252 /nfs/dbraw/zinc/12/22/52/782122252.db2.gz XDKOHDMSXVFHOJ-WCBMZHEXSA-N 0 3 291.373 -1.487 20 0 CAADHN O=S(=O)(C1CNC1)N1CCN([C@H]2CCOC2)CC1 ZINC000923631001 782122227 /nfs/dbraw/zinc/12/22/27/782122227.db2.gz FLGVNGFVKVEORK-JTQLQIEISA-N 0 3 275.374 -1.306 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1cn(C)nn1)C(N)=O ZINC001153770839 782122397 /nfs/dbraw/zinc/12/23/97/782122397.db2.gz MYOKRZZQBZHRFX-MRVPVSSYSA-N 0 3 268.321 -1.673 20 0 CAADHN CCC[C@@H]1C(=O)NCCN1S(=O)(=O)C1CNC1 ZINC000923631245 782122428 /nfs/dbraw/zinc/12/24/28/782122428.db2.gz BWLOONJEHYRCJR-SECBINFHSA-N 0 3 261.347 -1.112 20 0 CAADHN CCNS(=O)(=O)[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923633106 782122641 /nfs/dbraw/zinc/12/26/41/782122641.db2.gz RGWNTRXWTYIIOA-QMMMGPOBSA-N 0 3 297.402 -1.698 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114480387 782123124 /nfs/dbraw/zinc/12/31/24/782123124.db2.gz MWVWXCRKXNSLEW-IWIIMEHWSA-N 0 3 298.343 -2.723 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1[nH]cnc1C ZINC001153819694 782123664 /nfs/dbraw/zinc/12/36/64/782123664.db2.gz CDXLKRVWUFYNGD-UHFFFAOYSA-N 0 3 296.331 -1.117 20 0 CAADHN CCC[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCNCC1 ZINC000923631184 782122862 /nfs/dbraw/zinc/12/28/62/782122862.db2.gz BFHQLQHFOQCKSO-SNVBAGLBSA-N 0 3 290.389 -1.263 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)C2CNC2)O1 ZINC000923634163 782122943 /nfs/dbraw/zinc/12/29/43/782122943.db2.gz XDKOHDMSXVFHOJ-WPRPVWTQSA-N 0 3 291.373 -1.487 20 0 CAADHN NC(=O)CNCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153882829 782124075 /nfs/dbraw/zinc/12/40/75/782124075.db2.gz PMMUOPXRBOCWKQ-LURJTMIESA-N 0 3 256.262 -2.770 20 0 CAADHN CCC[C@@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001252806694 782124220 /nfs/dbraw/zinc/12/42/20/782124220.db2.gz AAMABJQUIQBMKP-MRVPVSSYSA-N 0 3 274.321 -2.545 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC(N)=O)c1cnn(C)c1 ZINC001154007361 782124847 /nfs/dbraw/zinc/12/48/47/782124847.db2.gz OUDCJCQFVWLNIV-QMMMGPOBSA-N 0 3 296.331 -1.576 20 0 CAADHN C[C@H](NC(=O)C(N)=O)C1CN(C(=O)CN(C)C2CCC2)C1 ZINC001280649928 782126660 /nfs/dbraw/zinc/12/66/60/782126660.db2.gz PLPKOZQKKCMUKN-VIFPVBQESA-N 0 3 296.371 -1.081 20 0 CAADHN CC(=O)NCCN1CC2(C1)COCC(=O)N2CCN(C)C ZINC001273998671 782128590 /nfs/dbraw/zinc/12/85/90/782128590.db2.gz DGRNPIDGJXHNQU-UHFFFAOYSA-N 0 3 298.387 -1.403 20 0 CAADHN CN(C)C(=O)C1(C(=O)NCCN(C)CCO)CC1 ZINC000899738083 582122190 /nfs/dbraw/zinc/12/21/90/582122190.db2.gz QUDMPAZQPJTLAZ-UHFFFAOYSA-N 0 3 257.334 -1.105 20 0 CAADHN CN(CCO)CCNC(=O)CCN1CCOCC1 ZINC000899733008 582122632 /nfs/dbraw/zinc/12/26/32/582122632.db2.gz RACKVLREIUTWHI-UHFFFAOYSA-N 0 3 259.350 -1.251 20 0 CAADHN CCNC(=O)CN1C[C@@]2(CCN(C[C@H](C)O)C2)OCC1=O ZINC001274047297 782132008 /nfs/dbraw/zinc/13/20/08/782132008.db2.gz NRBCSFBZNAJXIO-FZMZJTMJSA-N 0 3 299.371 -1.193 20 0 CAADHN NC(=O)CN1CC[C@@]2(CCN(C3COC3)C2=O)C1 ZINC001274062626 782134015 /nfs/dbraw/zinc/13/40/15/782134015.db2.gz ZJOMSFGDRCEJCB-GFCCVEGCSA-N 0 3 253.302 -1.205 20 0 CAADHN CN(C)CCN1CC2(CN(CC(N)=O)C2)OCC1=O ZINC001274061153 782134154 /nfs/dbraw/zinc/13/41/54/782134154.db2.gz ANNIAXNFLRPZMU-UHFFFAOYSA-N 0 3 270.333 -2.054 20 0 CAADHN CN(C)C(=O)CCN1CC[C@]2(CCN(CC(N)=O)C2)C1=O ZINC001274062648 782134409 /nfs/dbraw/zinc/13/44/09/782134409.db2.gz ZSCINHRYNDKJNU-AWEZNQCLSA-N 0 3 296.371 -1.126 20 0 CAADHN CCNC(=O)CN1CC[C@@]2(CCN(CC(=O)NC)C2)C1=O ZINC001274072344 782135450 /nfs/dbraw/zinc/13/54/50/782135450.db2.gz CHLAMLMZICJPNT-CQSZACIVSA-N 0 3 296.371 -1.207 20 0 CAADHN CNC(=O)CN1CC2(C1)COCC(=O)N2CCN(C)C ZINC001274073487 782135812 /nfs/dbraw/zinc/13/58/12/782135812.db2.gz NPBCLAYWONETIN-UHFFFAOYSA-N 0 3 284.360 -1.793 20 0 CAADHN C[C@H](NC(=O)CN[C@H](CO)C1CC1)C(=O)N(C)C ZINC000771811893 582152850 /nfs/dbraw/zinc/15/28/50/582152850.db2.gz FKEKTXCVDFHQJF-WCBMZHEXSA-N 0 3 257.334 -1.060 20 0 CAADHN CN(C)CCNC(=S)NCC(=O)N1CCOCC1 ZINC000776267282 582155647 /nfs/dbraw/zinc/15/56/47/582155647.db2.gz UFKYUYANWZNIRU-UHFFFAOYSA-N 0 3 274.390 -1.129 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001274178684 782136510 /nfs/dbraw/zinc/13/65/10/782136510.db2.gz CAVPLVCLGJWRLV-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CNC/C=C\CNC(=O)c1cnc[nH]c1=O ZINC001274120190 782136814 /nfs/dbraw/zinc/13/68/14/782136814.db2.gz WGIGVQQCXFZASK-IHWYPQMZSA-N 0 3 279.300 -1.196 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001274152662 782137155 /nfs/dbraw/zinc/13/71/55/782137155.db2.gz GQFHOTZZIOGOMW-MJKAUQOVSA-N 0 3 296.371 -1.091 20 0 CAADHN CCNC(=O)CC(=O)N1C[C@H](NCC(=O)NC)[C@@H](C)C1 ZINC001274188016 782137312 /nfs/dbraw/zinc/13/73/12/782137312.db2.gz CZFZCLWUZXLABJ-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001274153503 782137370 /nfs/dbraw/zinc/13/73/70/782137370.db2.gz LUPACNVRDOXAHP-RUULKOMLSA-N 0 3 298.387 -1.157 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001274152661 782137585 /nfs/dbraw/zinc/13/75/85/782137585.db2.gz GQFHOTZZIOGOMW-CBZSPVTBSA-N 0 3 296.371 -1.091 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001274153502 782137609 /nfs/dbraw/zinc/13/76/09/782137609.db2.gz LUPACNVRDOXAHP-KBIXYVOKSA-N 0 3 298.387 -1.157 20 0 CAADHN CCNC(=O)CC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC)C1 ZINC001274188020 782137261 /nfs/dbraw/zinc/13/72/61/782137261.db2.gz CZFZCLWUZXLABJ-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001274239323 782140469 /nfs/dbraw/zinc/14/04/69/782140469.db2.gz HFUBUNBKQQKPMR-UHFFFAOYSA-N 0 3 270.333 -1.199 20 0 CAADHN COc1nccc(CNCCCNC(=O)CNC(N)=O)n1 ZINC001154457244 782140532 /nfs/dbraw/zinc/14/05/32/782140532.db2.gz ABYZHWQUBADOOE-UHFFFAOYSA-N 0 3 296.331 -1.251 20 0 CAADHN CCn1nncc1CNCCCNC(=O)CNC(N)=O ZINC001154457247 782140541 /nfs/dbraw/zinc/14/05/41/782140541.db2.gz AHOBAAUMUAFVEW-UHFFFAOYSA-N 0 3 283.336 -1.438 20 0 CAADHN CNC(=O)C1(C(=O)N2C[C@H](NCC(N)=O)[C@@H](C)C2)CC1 ZINC001274259508 782142654 /nfs/dbraw/zinc/14/26/54/782142654.db2.gz FIOPOEMWCNEGCJ-IUCAKERBSA-N 0 3 282.344 -1.566 20 0 CAADHN COCCOCCC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001274300090 782143408 /nfs/dbraw/zinc/14/34/08/782143408.db2.gz WCWHKNVXYAPSRB-WDEREUQCSA-N 0 3 287.360 -1.039 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001274262994 782141995 /nfs/dbraw/zinc/14/19/95/782141995.db2.gz LGXCJHRWKKHDQF-RTMURIBGSA-N 0 3 281.316 -1.125 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C ZINC001274268541 782142148 /nfs/dbraw/zinc/14/21/48/782142148.db2.gz FZVHOIFQZJIYFQ-KOLCDFICSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@]1(C)CCNC1=O ZINC001274359712 782145037 /nfs/dbraw/zinc/14/50/37/782145037.db2.gz GVVYBELDNKUHDC-QNTBOZKRSA-N 0 3 296.371 -1.091 20 0 CAADHN COCCOCCC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001274300086 782144286 /nfs/dbraw/zinc/14/42/86/782144286.db2.gz WCWHKNVXYAPSRB-MNOVXSKESA-N 0 3 287.360 -1.039 20 0 CAADHN Cn1ncc(C(=O)NC/C=C\CN[C@@H]2CCN(C)C2=O)n1 ZINC001274438796 782146846 /nfs/dbraw/zinc/14/68/46/782146846.db2.gz MOIZWJUWAIRYGE-UMBAGQNISA-N 0 3 292.343 -1.079 20 0 CAADHN Cn1cc(CNCC2(O)CCN(C(=O)C(N)=O)CC2)cn1 ZINC001274550034 782149857 /nfs/dbraw/zinc/14/98/57/782149857.db2.gz KOQXUYVDUZVROY-UHFFFAOYSA-N 0 3 295.343 -1.652 20 0 CAADHN CN1C[C@]2(CC1=O)COCCN(C[C@H](O)CO)C2 ZINC001274573877 782151727 /nfs/dbraw/zinc/15/17/27/782151727.db2.gz WCEKUMQTKKHSFH-JQWIXIFHSA-N 0 3 258.318 -1.480 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC001274542908 782150611 /nfs/dbraw/zinc/15/06/11/782150611.db2.gz CIHYRIUWRSUFSF-VIFPVBQESA-N 0 3 298.343 -2.449 20 0 CAADHN O=C1CO[C@]2(CCN(C[C@H](O)CO)C2)CN1CC(F)F ZINC001274570051 782151886 /nfs/dbraw/zinc/15/18/86/782151886.db2.gz UOSWKXIARXCZFG-CABZTGNLSA-N 0 3 294.298 -1.092 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)Cn1ccccc1=O)C(N)=O ZINC001274568045 782151896 /nfs/dbraw/zinc/15/18/96/782151896.db2.gz OJGQOHGYOHEOFE-UFFNRZRYSA-N 0 3 292.339 -1.016 20 0 CAADHN CN(C)CCN1C(=O)COCC12CN(C[C@H](O)CO)C2 ZINC001274565468 782151957 /nfs/dbraw/zinc/15/19/57/782151957.db2.gz QLTXKINNPCNJFO-NSHDSACASA-N 0 3 287.360 -2.186 20 0 CAADHN CCN1CCO[C@H](C(=O)NC/C=C/CN[C@H](C)C(N)=O)C1 ZINC001274598723 782153263 /nfs/dbraw/zinc/15/32/63/782153263.db2.gz DHDDLLOMXFEPES-RVAOTSRCSA-N 0 3 298.387 -1.157 20 0 CAADHN C[C@H](CNCCS(C)(=O)=O)NC(=O)[C@@H]1COCCO1 ZINC001274686905 782155014 /nfs/dbraw/zinc/15/50/14/782155014.db2.gz VBJYZJMYJPHNCU-ZJUUUORDSA-N 0 3 294.373 -1.459 20 0 CAADHN C[C@H](N)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000827985261 582193909 /nfs/dbraw/zinc/19/39/09/582193909.db2.gz NDVRLVYXDVGHOO-QMMMGPOBSA-N 0 3 265.335 -1.888 20 0 CAADHN CCO[C@H](CNC(=O)CCNC(=O)CO)CN(C)C ZINC000831696431 582203159 /nfs/dbraw/zinc/20/31/59/582203159.db2.gz XUIMKTBZHMFJTA-SNVBAGLBSA-N 0 3 275.349 -1.432 20 0 CAADHN CNC(=O)[C@@H](O)CNS(=O)(=O)CCCN(C)C ZINC000867186769 582211862 /nfs/dbraw/zinc/21/18/62/582211862.db2.gz NYVWKBFVWBLZQX-QMMMGPOBSA-N 0 3 267.351 -2.036 20 0 CAADHN CCNCC(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000843484209 582214815 /nfs/dbraw/zinc/21/48/15/582214815.db2.gz IPNRYOSJNCGLCD-MRVPVSSYSA-N 0 3 257.290 -1.514 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCCNC(=O)C1 ZINC000846795534 582223446 /nfs/dbraw/zinc/22/34/46/582223446.db2.gz RFBHOOMJOYEQGU-NSHDSACASA-N 0 3 259.350 -1.253 20 0 CAADHN CCN(CC(=O)NC)C[C@@H](O)CN(C)CCOC ZINC000846780629 582223458 /nfs/dbraw/zinc/22/34/58/582223458.db2.gz MYDHPVJCSNUVET-NSHDSACASA-N 0 3 261.366 -1.007 20 0 CAADHN CS(C)(=O)=NS(=O)(=O)[N-]CCCN1CC[NH2+]CC1 ZINC000866735998 582254183 /nfs/dbraw/zinc/25/41/83/582254183.db2.gz YTDDZNJHJMUKPN-UHFFFAOYSA-N 0 3 298.434 -1.156 20 0 CAADHN CN(C)C[C@H](N)C(=O)NCCN1CCCOCC1 ZINC000876891137 582263582 /nfs/dbraw/zinc/26/35/82/582263582.db2.gz QVBYJTGZVQKJMK-NSHDSACASA-N 0 3 258.366 -1.286 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000863624716 582249307 /nfs/dbraw/zinc/24/93/07/582249307.db2.gz NVKYERCGIMTIGZ-BQBZGAKWSA-N 0 3 266.319 -1.056 20 0 CAADHN COC(=O)NCCC(=O)NCCN1CC[C@H](O)C1 ZINC000863832239 582250309 /nfs/dbraw/zinc/25/03/09/582250309.db2.gz VZVCCDNKHFZNEF-VIFPVBQESA-N 0 3 259.306 -1.085 20 0 CAADHN CCN(CC)S(=O)(=O)CCNC(=O)[C@@H](CN)OC ZINC000353189222 520770056 /nfs/dbraw/zinc/77/00/56/520770056.db2.gz UFOOGQBPMIKNPI-SECBINFHSA-N 0 3 281.378 -1.252 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1nccnc1N ZINC001274707624 782156138 /nfs/dbraw/zinc/15/61/38/782156138.db2.gz ABLGKYNWBJQXTK-RNFRBKRXSA-N 0 3 266.305 -1.360 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@H](C)N(C)C ZINC000340072480 521671221 /nfs/dbraw/zinc/67/12/21/521671221.db2.gz IVBJVIWTPVAZLR-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)[C@@]1(F)CCNC1 ZINC000151655907 521679596 /nfs/dbraw/zinc/67/95/96/521679596.db2.gz GVWYFOVPQKLWMR-SECBINFHSA-N 0 3 267.326 -1.257 20 0 CAADHN C[C@H](CNCc1cnn(C)c1)NC(=O)CC(N)=O ZINC001274708364 782156885 /nfs/dbraw/zinc/15/68/85/782156885.db2.gz FWUZGICPYWFULE-MRVPVSSYSA-N 0 3 253.306 -1.110 20 0 CAADHN CCNC(=O)N1CCN(C(=O)[C@H](CN)OC)CC1 ZINC000227363051 521739723 /nfs/dbraw/zinc/73/97/23/521739723.db2.gz AUBBUDCKKRMHAH-VIFPVBQESA-N 0 3 258.322 -1.166 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)CN(C)S(C)(=O)=O ZINC000332509871 533728160 /nfs/dbraw/zinc/72/81/60/533728160.db2.gz LYIJDTWAYAYRKO-QMMMGPOBSA-N 0 3 251.352 -1.056 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000332517330 533735341 /nfs/dbraw/zinc/73/53/41/533735341.db2.gz PQOQVHJYKHLEDV-YUMQZZPRSA-N 0 3 251.352 -1.010 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)NCCN1CCNC(=O)C1 ZINC000355075663 533730929 /nfs/dbraw/zinc/73/09/29/533730929.db2.gz FJFGJKMBPJISSX-JTQLQIEISA-N 0 3 271.365 -1.333 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C)CCN1 ZINC000423060187 533797689 /nfs/dbraw/zinc/79/76/89/533797689.db2.gz HOJYRZWHMGPAOB-JTQLQIEISA-N 0 3 256.350 -1.173 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C)CC(=O)N1C ZINC000459901024 533797734 /nfs/dbraw/zinc/79/77/34/533797734.db2.gz TZSSLXKTSLGTLN-JTQLQIEISA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CCN1 ZINC000423672641 533805284 /nfs/dbraw/zinc/80/52/84/533805284.db2.gz FCOXBFKXYGNWAI-SDDRHHMPSA-N 0 3 280.372 -1.031 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCNCC2=O)[C@@H](C)CN1 ZINC000237595702 533834788 /nfs/dbraw/zinc/83/47/88/533834788.db2.gz MGUBAWXAKXFRER-UWVGGRQHSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@@H](CN1CCN(C)CC1)NC(=O)CN1CCNCC1=O ZINC000431029941 533837090 /nfs/dbraw/zinc/83/70/90/533837090.db2.gz IEGGOLACJFEKME-LBPRGKRZSA-N 0 3 297.403 -1.830 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cn(C)nn1 ZINC001274740237 782157349 /nfs/dbraw/zinc/15/73/49/782157349.db2.gz PGUNOKNSAPUBNT-SSDOTTSWSA-N 0 3 254.294 -1.731 20 0 CAADHN COC(=O)N(C)CC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000495816337 533862394 /nfs/dbraw/zinc/86/23/94/533862394.db2.gz IUPQGSLNPVRXNF-SECBINFHSA-N 0 3 288.348 -1.133 20 0 CAADHN C[C@H](CNCCS(C)(=O)=O)NC(=O)Cn1ncnn1 ZINC001274752882 782157434 /nfs/dbraw/zinc/15/74/34/782157434.db2.gz KMFXKNXCGJEUFJ-MRVPVSSYSA-N 0 3 290.349 -2.188 20 0 CAADHN CCNC(=O)CC(=O)N[C@H](C)CNCC(=O)NC ZINC001274727387 782157514 /nfs/dbraw/zinc/15/75/14/782157514.db2.gz ZLHAAWZVVQSKMT-MRVPVSSYSA-N 0 3 258.322 -1.647 20 0 CAADHN COC(=O)N1CC(NC(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000496554202 533901349 /nfs/dbraw/zinc/90/13/49/533901349.db2.gz YGQKWKMNNDDYMN-VIFPVBQESA-N 0 3 284.316 -1.593 20 0 CAADHN COC(=O)N1CC(NC(=O)C(=O)N2CCC[C@@H]2CN)C1 ZINC000497155113 533899389 /nfs/dbraw/zinc/89/93/89/533899389.db2.gz YNXKDLVQJYGOAG-SECBINFHSA-N 0 3 284.316 -1.497 20 0 CAADHN C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)C ZINC000344779697 533900067 /nfs/dbraw/zinc/90/00/67/533900067.db2.gz IYGCGERRVXYAHA-QMMMGPOBSA-N 0 3 251.352 -1.056 20 0 CAADHN C[C@@H](CNC(=O)COC1CNC1)N1CCN(C)CC1 ZINC000431009991 533900503 /nfs/dbraw/zinc/90/05/03/533900503.db2.gz LYPAUFGQCMGDOB-NSHDSACASA-N 0 3 270.377 -1.273 20 0 CAADHN COC(=O)N1CC(NC(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000496554201 533900982 /nfs/dbraw/zinc/90/09/82/533900982.db2.gz YGQKWKMNNDDYMN-SECBINFHSA-N 0 3 284.316 -1.593 20 0 CAADHN COC(=O)N1CC(NC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000497266012 533909176 /nfs/dbraw/zinc/90/91/76/533909176.db2.gz QFHNCMIEGZPZPG-JTQLQIEISA-N 0 3 285.348 -1.279 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001274887967 782158987 /nfs/dbraw/zinc/15/89/87/782158987.db2.gz FNWUGXMQKVUHSC-NZFPMDFQSA-N 0 3 267.329 -1.138 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CCCNC1=O ZINC001274796836 782159042 /nfs/dbraw/zinc/15/90/42/782159042.db2.gz IBCOHFFDYTVNGD-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCCNC1=O ZINC001274797604 782159172 /nfs/dbraw/zinc/15/91/72/782159172.db2.gz SFOUKGHDFLVPEO-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)C(C)(C)C(N)=O ZINC001274798134 782159281 /nfs/dbraw/zinc/15/92/81/782159281.db2.gz YDKRPTNMHNSZAE-MRVPVSSYSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@]1(C(=O)N[C@H](C)CNCC(N)=O)CCNC1=O ZINC001274792174 782159308 /nfs/dbraw/zinc/15/93/08/782159308.db2.gz UXQPOYZVOLCFLB-PRHODGIISA-N 0 3 270.333 -1.518 20 0 CAADHN COC(=O)N1CC(NC(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000492390600 533915732 /nfs/dbraw/zinc/91/57/32/533915732.db2.gz JWZYVDKXUGCZGY-GFCCVEGCSA-N 0 3 286.332 -1.197 20 0 CAADHN COC(=O)N1CC(NC(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000492390601 533916801 /nfs/dbraw/zinc/91/68/01/533916801.db2.gz JWZYVDKXUGCZGY-LBPRGKRZSA-N 0 3 286.332 -1.197 20 0 CAADHN COC(=O)N1CC(NC(=O)C(C)S(C)(=O)=O)C1 ZINC000492097757 533922749 /nfs/dbraw/zinc/92/27/49/533922749.db2.gz AIWHMJXOOLLWOO-ZCFIWIBFSA-N 0 3 264.303 -1.014 20 0 CAADHN COC(=O)N1CC(NC[C@H](O)CN2CCN(C)CC2)C1 ZINC000496700453 533930365 /nfs/dbraw/zinc/93/03/65/533930365.db2.gz QVNQUNIKSOURMK-LBPRGKRZSA-N 0 3 286.376 -1.365 20 0 CAADHN C[C@H]1CN(CCCNC(=O)CNC(=O)CN)C[C@H](C)O1 ZINC000262184253 533932691 /nfs/dbraw/zinc/93/26/91/533932691.db2.gz GWTZMMDQIRQENM-QWRGUYRKSA-N 0 3 286.376 -1.323 20 0 CAADHN C[C@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)CCN1CCO ZINC000190241569 533959261 /nfs/dbraw/zinc/95/92/61/533959261.db2.gz RPQZUROPFDISDY-NSHDSACASA-N 0 3 296.371 -1.418 20 0 CAADHN COC(=O)N1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000496162539 533983616 /nfs/dbraw/zinc/98/36/16/533983616.db2.gz VKWGSHOFRXWQHF-SNVBAGLBSA-N 0 3 298.343 -1.153 20 0 CAADHN COC(=O)N1CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC1 ZINC000496531790 533983816 /nfs/dbraw/zinc/98/38/16/533983816.db2.gz ZBUOOLZBLDKEFL-SECBINFHSA-N 0 3 286.332 -1.297 20 0 CAADHN COC(=O)N1CCN(C(=O)C(=O)N2CCC[C@H]2CN)CC1 ZINC000496162538 533983859 /nfs/dbraw/zinc/98/38/59/533983859.db2.gz VKWGSHOFRXWQHF-JTQLQIEISA-N 0 3 298.343 -1.153 20 0 CAADHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCNC(=O)C1 ZINC000332629180 533999822 /nfs/dbraw/zinc/99/98/22/533999822.db2.gz JBNYWLCMWWAWGG-QWRGUYRKSA-N 0 3 294.355 -1.360 20 0 CAADHN C[C@H]1CNCCN1C(=O)C(=O)NCCOCCN(C)C ZINC000419754906 534007850 /nfs/dbraw/zinc/00/78/50/534007850.db2.gz BIGZNXFJNBOJRD-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cncn1C ZINC001274830472 782159756 /nfs/dbraw/zinc/15/97/56/782159756.db2.gz ITZOLLYLGDWIEG-RKDXNWHRSA-N 0 3 293.327 -1.067 20 0 CAADHN C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)N(C)C1CC1 ZINC000079965734 534049135 /nfs/dbraw/zinc/04/91/35/534049135.db2.gz OYKYEWIBVAMQGZ-QMMMGPOBSA-N 0 3 280.332 -1.024 20 0 CAADHN COC(=O)NCCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000495321761 534068264 /nfs/dbraw/zinc/06/82/64/534068264.db2.gz INUKPLKJOJUDRY-NSHDSACASA-N 0 3 259.306 -1.085 20 0 CAADHN COC(=O)NCCC(=O)NC[C@]1(O)CCN(C)C1 ZINC000495321760 534069188 /nfs/dbraw/zinc/06/91/88/534069188.db2.gz INUKPLKJOJUDRY-LLVKDONJSA-N 0 3 259.306 -1.085 20 0 CAADHN C[C@H](O)CN1CCN(C(=O)CNC(=O)CN)C[C@@H]1C ZINC000347671983 534078996 /nfs/dbraw/zinc/07/89/96/534078996.db2.gz BEMALLDSBLYXTJ-UWVGGRQHSA-N 0 3 272.349 -2.025 20 0 CAADHN C[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000352696977 534086793 /nfs/dbraw/zinc/08/67/93/534086793.db2.gz VCSANBSEMDIKSN-VHSXEESVSA-N 0 3 257.334 -1.107 20 0 CAADHN COC(=O)NCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000496234239 534112665 /nfs/dbraw/zinc/11/26/65/534112665.db2.gz FQVMVDBZSUDQMV-BDAKNGLRSA-N 0 3 299.331 -1.704 20 0 CAADHN C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000434704045 534122395 /nfs/dbraw/zinc/12/23/95/534122395.db2.gz CNEBZGXFGLXJIG-JGVFFNPUSA-N 0 3 254.290 -1.205 20 0 CAADHN C[C@H](NC(=O)C[C@H]1CNCCO1)C(=O)N1CCOCC1 ZINC000135269446 534204789 /nfs/dbraw/zinc/20/47/89/534204789.db2.gz WJGJCGPWWGFQAT-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CC(C)N(C)C(=O)[C@H](C)NC[C@@H](C)NC(=O)C(N)=O ZINC001274906537 782160772 /nfs/dbraw/zinc/16/07/72/782160772.db2.gz DFWOXXCWPSAHCC-BDAKNGLRSA-N 0 3 272.349 -1.179 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)C[C@@H](CO)O1 ZINC000423588273 534283825 /nfs/dbraw/zinc/28/38/25/534283825.db2.gz DQDMLTMFLFHZSK-WOPDTQHZSA-N 0 3 299.371 -1.066 20 0 CAADHN C[C@@H](N)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000261717480 534286603 /nfs/dbraw/zinc/28/66/03/534286603.db2.gz DXIFMLYLPCJKEN-NXEZZACHSA-N 0 3 293.389 -1.062 20 0 CAADHN C[C@@H](N)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000261717481 534286449 /nfs/dbraw/zinc/28/64/49/534286449.db2.gz DXIFMLYLPCJKEN-ZJUUUORDSA-N 0 3 293.389 -1.062 20 0 CAADHN C[C@@H](N)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000167570625 534286676 /nfs/dbraw/zinc/28/66/76/534286676.db2.gz VOYCBJDTBIYHKK-VXGBXAGGSA-N 0 3 298.387 -1.275 20 0 CAADHN C[C@@H](N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803646 534286754 /nfs/dbraw/zinc/28/67/54/534286754.db2.gz AHNYRQQTGOUYIK-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000237448913 534286938 /nfs/dbraw/zinc/28/69/38/534286938.db2.gz FHPPWLLPSPUWEB-SNVBAGLBSA-N 0 3 282.344 -1.373 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CC2)C[C@@H](CO)O1 ZINC000420055308 534294157 /nfs/dbraw/zinc/29/41/57/534294157.db2.gz GHGVRRIPWZRNEG-MIMYLULJSA-N 0 3 285.344 -1.552 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CC2)C[C@H](CO)O1 ZINC000420055306 534294185 /nfs/dbraw/zinc/29/41/85/534294185.db2.gz GHGVRRIPWZRNEG-IEBDPFPHSA-N 0 3 285.344 -1.552 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCNC(=O)C2)C[C@@H]1O ZINC000580260200 517913425 /nfs/dbraw/zinc/91/34/25/517913425.db2.gz JSXWTZZBMJYOCA-GUBZILKMSA-N 0 3 255.318 -1.354 20 0 CAADHN O=C(NCCN1C(=O)CNC1=O)[C@H]1CCCCN1 ZINC000430535763 534320058 /nfs/dbraw/zinc/32/00/58/534320058.db2.gz WGHNKQQMRDCGER-MRVPVSSYSA-N 0 3 254.290 -1.204 20 0 CAADHN O=C(NCCN1C(=O)CNC1=O)[C@@H]1CCCCN1 ZINC000430528014 534320293 /nfs/dbraw/zinc/32/02/93/534320293.db2.gz WGHNKQQMRDCGER-QMMMGPOBSA-N 0 3 254.290 -1.204 20 0 CAADHN C[C@]1(F)CNCCN(CC(=O)N2CCNC(=O)C2)C1 ZINC000519605252 518185546 /nfs/dbraw/zinc/18/55/46/518185546.db2.gz HPDAFPGVWAEQRQ-LBPRGKRZSA-N 0 3 272.324 -1.422 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)NC(=O)C2(C(N)=O)CC2)C1=O ZINC001274901163 782160930 /nfs/dbraw/zinc/16/09/30/782160930.db2.gz VWWGIDKLFVVMDK-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCN(C)C1=O ZINC001274888116 782161117 /nfs/dbraw/zinc/16/11/17/782161117.db2.gz ITMCBBUWUROTHE-SFYZADRCSA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC(=O)N1 ZINC000456190759 534371237 /nfs/dbraw/zinc/37/12/37/534371237.db2.gz NOTBBTYICDLJLM-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN CC(C)(C)N1CC[C@@](F)(C(=O)NC(C(N)=O)C(N)=O)C1 ZINC000289466779 518717103 /nfs/dbraw/zinc/71/71/03/518717103.db2.gz WMAZUSUGDSFEHF-LBPRGKRZSA-N 0 3 288.323 -1.346 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001274893823 782161174 /nfs/dbraw/zinc/16/11/74/782161174.db2.gz CDQDVGIKZPPPLO-RNFRBKRXSA-N 0 3 267.289 -1.648 20 0 CAADHN NC(=O)NC(=O)CCNC(=O)C[C@H]1CSCCN1 ZINC000434864367 534382154 /nfs/dbraw/zinc/38/21/54/534382154.db2.gz IBSJKFJVJJABQI-ZETCQYMHSA-N 0 3 274.346 -1.217 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCNC1=O ZINC001274878140 782161493 /nfs/dbraw/zinc/16/14/93/782161493.db2.gz RQFXXTAXJPXTRM-SFYZADRCSA-N 0 3 296.331 -2.161 20 0 CAADHN Nc1nc(N)nc(NCCCO[C@@H]2CCOC2)n1 ZINC000624031105 519107345 /nfs/dbraw/zinc/10/73/45/519107345.db2.gz VGITWHLDSCTAEE-SSDOTTSWSA-N 0 3 254.294 -1.274 20 0 CAADHN O=C(CCN1CCN2C(=O)NC[C@@H]2C1)N1CCNCC1 ZINC000091753239 534405071 /nfs/dbraw/zinc/40/50/71/534405071.db2.gz JPZRUFKCQUDQOA-LLVKDONJSA-N 0 3 281.360 -1.482 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)C1(C(N)=O)CC1 ZINC001274901317 782161557 /nfs/dbraw/zinc/16/15/57/782161557.db2.gz XZTDSXVTEYNYPN-BDAKNGLRSA-N 0 3 282.344 -1.375 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)NC(=O)C2(C(N)=O)CC2)C1=O ZINC001274901162 782161624 /nfs/dbraw/zinc/16/16/24/782161624.db2.gz VWWGIDKLFVVMDK-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1)C(N)=O ZINC001274956971 782161989 /nfs/dbraw/zinc/16/19/89/782161989.db2.gz HLGLYKJSJBIBSU-APPZFPTMSA-N 0 3 298.343 -1.603 20 0 CAADHN CC(C)N(C)CC(=O)NCCOCCS(N)(=O)=O ZINC000340840359 519608520 /nfs/dbraw/zinc/60/85/20/519608520.db2.gz CMFOXPXNYIFJAO-UHFFFAOYSA-N 0 3 281.378 -1.252 20 0 CAADHN CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2C[C@H](O)CN2)C1=O ZINC000277659798 519665844 /nfs/dbraw/zinc/66/58/44/519665844.db2.gz TVDZAXXLXWTTHG-DJLDLDEBSA-N 0 3 269.301 -1.639 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cnon1 ZINC001274962613 782162119 /nfs/dbraw/zinc/16/21/19/782162119.db2.gz CYDQMQOGFKPCTQ-RNFRBKRXSA-N 0 3 255.278 -1.088 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@H](O)C2CC2)n1 ZINC000340018502 519699637 /nfs/dbraw/zinc/69/96/37/519699637.db2.gz RDMFGGFRPSNJFL-JTQLQIEISA-N 0 3 296.375 -1.455 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CCC(O)CC2)n1 ZINC000339967555 519699801 /nfs/dbraw/zinc/69/98/01/519699801.db2.gz IVXNYMSVABVCIL-UHFFFAOYSA-N 0 3 296.375 -1.099 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](O)C2CC2)n1 ZINC000340018503 519700075 /nfs/dbraw/zinc/70/00/75/519700075.db2.gz RDMFGGFRPSNJFL-SNVBAGLBSA-N 0 3 296.375 -1.455 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C)C(=O)C1 ZINC000126378666 519817066 /nfs/dbraw/zinc/81/70/66/519817066.db2.gz CAPPKRYHASWXRT-NSHDSACASA-N 0 3 270.333 -1.614 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCNC(=O)[C@H]1C ZINC000126337677 519817105 /nfs/dbraw/zinc/81/71/05/519817105.db2.gz OZBLKHZSNQCZAI-SCZZXKLOSA-N 0 3 270.333 -1.567 20 0 CAADHN NC(=O)[C@H]1CCCN1CCOCCN1CCC[C@H]1C(N)=O ZINC000178638494 534453919 /nfs/dbraw/zinc/45/39/19/534453919.db2.gz HRPBSPIULOZDLT-TXEJJXNPSA-N 0 3 298.387 -1.098 20 0 CAADHN CC[NH2+]CCNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000236908886 519921617 /nfs/dbraw/zinc/92/16/17/519921617.db2.gz PSXFRCMNHVIMJZ-UHFFFAOYSA-N 0 3 289.361 -1.576 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)C[C@H]2CSCCN2)CCO1 ZINC000434870110 534460268 /nfs/dbraw/zinc/46/02/68/534460268.db2.gz AWUJCKBEPLKPTD-DTWKUNHWSA-N 0 3 273.358 -1.206 20 0 CAADHN C[C@@H]1CN(CCCNC(=O)CNC(=O)CN)C[C@H](C)O1 ZINC000262184249 534465294 /nfs/dbraw/zinc/46/52/94/534465294.db2.gz GWTZMMDQIRQENM-PHIMTYICSA-N 0 3 286.376 -1.323 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)N1CC(CO)C1 ZINC000339579185 520666135 /nfs/dbraw/zinc/66/61/35/520666135.db2.gz MNWVUMQDYOUXFP-UHFFFAOYSA-N 0 3 257.334 -1.105 20 0 CAADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCCC[NH3+])cn1C ZINC000428458210 534516052 /nfs/dbraw/zinc/51/60/52/534516052.db2.gz KTSCNNLGHHEJNX-UHFFFAOYSA-N 0 3 289.361 -1.528 20 0 CAADHN CC1CCN(CCNC(=O)CNC(=O)CN)CC1 ZINC000040772577 521011712 /nfs/dbraw/zinc/01/17/12/521011712.db2.gz BCXQGWSNJFLBAY-UHFFFAOYSA-N 0 3 256.350 -1.091 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000356136158 521109138 /nfs/dbraw/zinc/10/91/38/521109138.db2.gz YAUCRXCQYPVNRT-ZJUUUORDSA-N 0 3 273.333 -1.550 20 0 CAADHN CCC[C@H](N)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000236807371 521109529 /nfs/dbraw/zinc/10/95/29/521109529.db2.gz WHOXDITTXZXHLY-JTQLQIEISA-N 0 3 292.405 -1.454 20 0 CAADHN O=C(CN1CCOCC1=O)NCCCN1CCC(O)CC1 ZINC000344488142 534542023 /nfs/dbraw/zinc/54/20/23/534542023.db2.gz VSWWMVRQXVFBGX-UHFFFAOYSA-N 0 3 299.371 -1.192 20 0 CAADHN CCC[C@H](O)CNc1nc(NCCO)nc(NC(C)C)n1 ZINC000340014402 521182290 /nfs/dbraw/zinc/18/22/90/521182290.db2.gz KWHBIQBXOJTSOY-JTQLQIEISA-N 0 3 298.391 -1.065 20 0 CAADHN NCC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000489851781 534572498 /nfs/dbraw/zinc/57/24/98/534572498.db2.gz IDMBUKSWMNAYOC-UHFFFAOYSA-N 0 3 292.361 -2.334 20 0 CAADHN CCN1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000264838177 521606806 /nfs/dbraw/zinc/60/68/06/521606806.db2.gz AFUYVUYWPGWDAN-UHFFFAOYSA-N 0 3 296.327 -1.039 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(CCOC)CCN(C)C ZINC000340725329 521670142 /nfs/dbraw/zinc/67/01/42/521670142.db2.gz GMHPUOFUSYGWBK-UHFFFAOYSA-N 0 3 295.405 -1.038 20 0 CAADHN CCS(=O)(=O)N1CCN(C(=O)[C@H](CN)OC)CC1 ZINC000353137190 521665404 /nfs/dbraw/zinc/66/54/04/521665404.db2.gz XZRFDXQDGSGCLG-VIFPVBQESA-N 0 3 279.362 -1.546 20 0 CAADHN CCN1CCN(CC(=O)NC2CCN(C)CC2)C(=O)C1=O ZINC000119991546 521675173 /nfs/dbraw/zinc/67/51/73/521675173.db2.gz DZAJPPPPBDOIEI-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)C(N)C(F)(F)F ZINC000353158778 521679781 /nfs/dbraw/zinc/67/97/81/521679781.db2.gz ZFZUFCLUSGWEPU-RXMQYKEDSA-N 0 3 277.268 -1.069 20 0 CAADHN CCN1CC[C@@H]2OCCN(Cc3nc(N)nc(N)n3)[C@@H]2C1 ZINC000339388862 521716388 /nfs/dbraw/zinc/71/63/88/521716388.db2.gz JUTLPDHAXGSVQO-ZJUUUORDSA-N 0 3 293.375 -1.008 20 0 CAADHN CCN1CC[C@@H]2OCCN(Cc3nc(N)nc(N)n3)[C@H]2C1 ZINC000339388860 521716470 /nfs/dbraw/zinc/71/64/70/521716470.db2.gz JUTLPDHAXGSVQO-UWVGGRQHSA-N 0 3 293.375 -1.008 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@]2(O)CCOC2)CC1=O ZINC000339324606 521771568 /nfs/dbraw/zinc/77/15/68/521771568.db2.gz ZOSHABZONPEOMI-SMDDNHRTSA-N 0 3 299.371 -1.336 20 0 CAADHN O=C(CNCC1CC1)NCCN1CCS(=O)(=O)CC1 ZINC000430678254 534590816 /nfs/dbraw/zinc/59/08/16/534590816.db2.gz SDXXOMMNZBIGMX-UHFFFAOYSA-N 0 3 289.401 -1.167 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)N1CCN(CCO)CC1 ZINC000262361215 534593476 /nfs/dbraw/zinc/59/34/76/534593476.db2.gz KLJWAHPMUZIXQN-LBPRGKRZSA-N 0 3 271.361 -1.109 20 0 CAADHN CN(C)C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCOC2)CCO1 ZINC000339341028 521878001 /nfs/dbraw/zinc/87/80/01/521878001.db2.gz KIWUYFXOQJATRW-RYUDHWBXSA-N 0 3 299.371 -1.072 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CCNC(=O)C1 ZINC000362689263 534595235 /nfs/dbraw/zinc/59/52/35/534595235.db2.gz XANHUDUVPVZMHX-JTQLQIEISA-N 0 3 252.318 -1.665 20 0 CAADHN C[NH2+]CCN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000237284046 522001849 /nfs/dbraw/zinc/00/18/49/522001849.db2.gz ZOEZMEONDRAQSB-UHFFFAOYSA-N 0 3 289.361 -1.624 20 0 CAADHN O=C(COC1CNC1)NCCNC(=O)c1cnccn1 ZINC000430271289 534609909 /nfs/dbraw/zinc/60/99/09/534609909.db2.gz FSWXWIKYEDSTJD-UHFFFAOYSA-N 0 3 279.300 -1.689 20 0 CAADHN CN(C)[C@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000264818291 522092432 /nfs/dbraw/zinc/09/24/32/522092432.db2.gz CWGDABDGKJXORZ-VIFPVBQESA-N 0 3 296.327 -1.040 20 0 CAADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@@H]1COC(=O)N1 ZINC000496716228 534616129 /nfs/dbraw/zinc/61/61/29/534616129.db2.gz YOCQZVSXMHFOSV-JOYOIKCWSA-N 0 3 269.301 -1.332 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(CCOC)CCN(C)C ZINC000339270856 522219151 /nfs/dbraw/zinc/21/91/51/522219151.db2.gz KDAZMTSCDFAXNQ-UHFFFAOYSA-N 0 3 296.393 -1.923 20 0 CAADHN NCCNC(=O)C(=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000419823864 534629023 /nfs/dbraw/zinc/62/90/23/534629023.db2.gz YSXQKXWMWUQDCJ-UHFFFAOYSA-N 0 3 290.323 -1.110 20 0 CAADHN NCCNC(=O)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000419821360 534629231 /nfs/dbraw/zinc/62/92/31/534629231.db2.gz UGCSZZXHTOEHFC-UHFFFAOYSA-N 0 3 290.323 -1.063 20 0 CAADHN COC[C@@H](O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000338688734 522414955 /nfs/dbraw/zinc/41/49/55/522414955.db2.gz RXSMAYHOGISKIM-WDEREUQCSA-N 0 3 257.334 -1.500 20 0 CAADHN NC[C@@H](NC(=O)C(=O)N1CCNC(=O)C1)C1CCCCC1 ZINC000419965572 534657823 /nfs/dbraw/zinc/65/78/23/534657823.db2.gz JZESVZGRWQHVEM-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN COC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000338680436 522798506 /nfs/dbraw/zinc/79/85/06/522798506.db2.gz FRTYYMCDNCSPCZ-GHMZBOCLSA-N 0 3 287.360 -1.480 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N2CCNC(C)(C)C2)c1=O ZINC000175392237 534671922 /nfs/dbraw/zinc/67/19/22/534671922.db2.gz RHNFHXPWDFFFKM-UHFFFAOYSA-N 0 3 280.328 -1.243 20 0 CAADHN COC(=O)CCNC(=O)CN1CC[C@](C)(C(N)=O)C1 ZINC000280870178 523092356 /nfs/dbraw/zinc/09/23/56/523092356.db2.gz ZLTHGJCRGIARTB-LBPRGKRZSA-N 0 3 271.317 -1.137 20 0 CAADHN COC(=O)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126248783 523093541 /nfs/dbraw/zinc/09/35/41/523093541.db2.gz DSSCAKNHMDGXAV-JTQLQIEISA-N 0 3 259.306 -1.235 20 0 CAADHN COC(=O)CNC(=O)[C@H](C)N1CC[C@@](C)(C(N)=O)C1 ZINC000280514334 523201310 /nfs/dbraw/zinc/20/13/10/523201310.db2.gz DGBZVGXWOQSXMD-QPUJVOFHSA-N 0 3 271.317 -1.139 20 0 CAADHN COCCC[N@H+](C)CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000266171385 523216944 /nfs/dbraw/zinc/21/69/44/523216944.db2.gz UALKDQITZNJWMA-UHFFFAOYSA-N 0 3 286.332 -1.377 20 0 CAADHN COCCC[N@@H+](C)CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000266171385 523216952 /nfs/dbraw/zinc/21/69/52/523216952.db2.gz UALKDQITZNJWMA-UHFFFAOYSA-N 0 3 286.332 -1.377 20 0 CAADHN COCCN(C)CCCNC(=O)C(=O)N1CCOCC1 ZINC000339314789 523576887 /nfs/dbraw/zinc/57/68/87/523576887.db2.gz DRJUAAYSLBYBHU-UHFFFAOYSA-N 0 3 287.360 -1.070 20 0 CAADHN COCCN(C)CCNC(=O)CN1CCCS1(=O)=O ZINC000339248731 523588272 /nfs/dbraw/zinc/58/82/72/523588272.db2.gz LSGHRDXJKZUQJF-UHFFFAOYSA-N 0 3 293.389 -1.284 20 0 CAADHN COCCN(C)CCNC(=O)CCn1ncn(C)c1=O ZINC000293042246 523590282 /nfs/dbraw/zinc/59/02/82/523590282.db2.gz HERBHEPFIDSGRW-UHFFFAOYSA-N 0 3 285.348 -1.334 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000339245432 523596588 /nfs/dbraw/zinc/59/65/88/523596588.db2.gz FERLIPPMIZCBES-SECBINFHSA-N 0 3 281.378 -1.382 20 0 CAADHN COCCN(CCN(C)C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000264121379 523697734 /nfs/dbraw/zinc/69/77/34/523697734.db2.gz DARGHHYSBSPGEW-UHFFFAOYSA-N 0 3 298.343 -1.015 20 0 CAADHN CO[C@@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1OC ZINC000277087783 523737756 /nfs/dbraw/zinc/73/77/56/523737756.db2.gz GCSSFQUHDGHFEX-PHIMTYICSA-N 0 3 283.328 -1.070 20 0 CAADHN CC[C@H](C(=O)NCCN1C(=O)CNC1=O)N(C)C ZINC000126527353 523775992 /nfs/dbraw/zinc/77/59/92/523775992.db2.gz OOJJGYRXJDKEOH-MRVPVSSYSA-N 0 3 256.306 -1.005 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000337050859 523777613 /nfs/dbraw/zinc/77/76/13/523777613.db2.gz OOVADIPLCLBPOL-SBMIAAHKSA-N 0 3 256.302 -1.022 20 0 CAADHN CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H]1CCCN(C)C1 ZINC000266207275 523816577 /nfs/dbraw/zinc/81/65/77/523816577.db2.gz XMGVGEPYXUCVGW-SECBINFHSA-N 0 3 296.327 -1.040 20 0 CAADHN COCCN1CCC[C@H]1CNC(=O)CNC(N)=O ZINC000340841978 523832955 /nfs/dbraw/zinc/83/29/55/523832955.db2.gz QXVAUDRPQOLNIX-VIFPVBQESA-N 0 3 258.322 -1.118 20 0 CAADHN COCCNC(=O)CN1CCN(C(=O)[C@@H](C)N)CC1 ZINC000163880249 523892954 /nfs/dbraw/zinc/89/29/54/523892954.db2.gz GTSUIKOVNOFMNB-SNVBAGLBSA-N 0 3 272.349 -1.760 20 0 CAADHN CO[C@H](CN)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000353150885 523931505 /nfs/dbraw/zinc/93/15/05/523931505.db2.gz NQDIHAGSUXTKQB-DTWKUNHWSA-N 0 3 279.362 -1.500 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000290073662 523931872 /nfs/dbraw/zinc/93/18/72/523931872.db2.gz VPHNFLHNHOZLED-SNVBAGLBSA-N 0 3 281.316 -1.431 20 0 CAADHN COCCNCC(=O)N[C@@](C)(COC)C(=O)OC ZINC000262630666 523934291 /nfs/dbraw/zinc/93/42/91/523934291.db2.gz KQYOJAJMFIGJRK-NSHDSACASA-N 0 3 262.306 -1.083 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC000339921245 523975033 /nfs/dbraw/zinc/97/50/33/523975033.db2.gz CMHOENLHKQRYGA-GFCCVEGCSA-N 0 3 255.318 -1.305 20 0 CAADHN CN(C)C(=O)CCN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000337268945 523979518 /nfs/dbraw/zinc/97/95/18/523979518.db2.gz YDXFPJQVRSHVAW-JTQLQIEISA-N 0 3 292.405 -1.030 20 0 CAADHN CN(C)C(=O)CCN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000337268946 523979543 /nfs/dbraw/zinc/97/95/43/523979543.db2.gz YDXFPJQVRSHVAW-SNVBAGLBSA-N 0 3 292.405 -1.030 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)NCC(C)(C)N(C)C ZINC000276841841 523989792 /nfs/dbraw/zinc/98/97/92/523989792.db2.gz HRGKNKZHKMYOFF-UHFFFAOYSA-N 0 3 272.349 -1.353 20 0 CAADHN CN(C)C/C=C/C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000265596614 524033867 /nfs/dbraw/zinc/03/38/67/524033867.db2.gz BNNKCXDGTDOBRS-ONEGZZNKSA-N 0 3 276.362 -1.548 20 0 CAADHN CN(C)CCN(C)C(=O)CCn1ncn(C)c1=O ZINC000293284397 524059872 /nfs/dbraw/zinc/05/98/72/524059872.db2.gz RNRHTLPKUDPJNH-UHFFFAOYSA-N 0 3 255.322 -1.008 20 0 CAADHN CN(C)CCN(C)C(=O)NCCN1C(=O)CNC1=O ZINC000356090270 524060154 /nfs/dbraw/zinc/06/01/54/524060154.db2.gz LWBPTTXGOMIEBT-UHFFFAOYSA-N 0 3 271.321 -1.259 20 0 CAADHN CNC(=O)C[C@@H](C)NCCS(=O)(=O)N(C)C ZINC000309669578 524075506 /nfs/dbraw/zinc/07/55/06/524075506.db2.gz VNXAPDKJOGIZEB-MRVPVSSYSA-N 0 3 251.352 -1.008 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](O)CN1CCCCC1 ZINC000434451261 534759635 /nfs/dbraw/zinc/75/96/35/534759635.db2.gz ZUEANZIPUDXBJV-SNVBAGLBSA-N 0 3 268.321 -1.364 20 0 CAADHN C[C@H](CNC(=O)CN1CC(=O)[N-]C1=O)C[NH+](C)C ZINC000292321479 524382140 /nfs/dbraw/zinc/38/21/40/524382140.db2.gz JEMANKQOJPXACH-MRVPVSSYSA-N 0 3 256.306 -1.148 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NCCOCCN(C)C)CCO1 ZINC000339400756 524451421 /nfs/dbraw/zinc/45/14/21/524451421.db2.gz QVBSNNWPPZWEPV-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN C[C@@H](CC[NH+](C)C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000265577799 524466317 /nfs/dbraw/zinc/46/63/17/524466317.db2.gz HTNRRHGJVVDCFU-QMMMGPOBSA-N 0 3 256.306 -1.005 20 0 CAADHN C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C)CN1 ZINC000237615304 524491604 /nfs/dbraw/zinc/49/16/04/524491604.db2.gz CJSZKBSZHQDQLX-IUCAKERBSA-N 0 3 266.301 -1.255 20 0 CAADHN C[C@@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)N(C)C ZINC000265058290 524650537 /nfs/dbraw/zinc/65/05/37/524650537.db2.gz SPOUZGWYAWPPPH-ZETCQYMHSA-N 0 3 270.289 -1.527 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NCCOCCN(C)C)CCO1 ZINC000339400755 524745014 /nfs/dbraw/zinc/74/50/14/524745014.db2.gz QVBSNNWPPZWEPV-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN C[C@@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](C)CN1 ZINC000356374927 524780680 /nfs/dbraw/zinc/78/06/80/524780680.db2.gz TYPBEAAPRCEYIV-SFYZADRCSA-N 0 3 282.300 -1.384 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000428172134 534808236 /nfs/dbraw/zinc/80/82/36/534808236.db2.gz XNNYHMHIIHSNAD-MRVPVSSYSA-N 0 3 287.345 -1.824 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000495165535 534808531 /nfs/dbraw/zinc/80/85/31/534808531.db2.gz RONLTBGXOFYWQC-VROVMSAKSA-N 0 3 299.356 -1.968 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](C)CN1 ZINC000237442858 524800411 /nfs/dbraw/zinc/80/04/11/524800411.db2.gz AMYPTLGLAOMCOX-ZJUUUORDSA-N 0 3 280.328 -1.244 20 0 CAADHN C[C@H](N)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000353215785 524817925 /nfs/dbraw/zinc/81/79/25/524817925.db2.gz UGOUAIOOVNDZFP-JTQLQIEISA-N 0 3 256.350 -1.044 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001275012794 782163532 /nfs/dbraw/zinc/16/35/32/782163532.db2.gz LTKWDNKJOPJSFW-SECBINFHSA-N 0 3 298.343 -1.634 20 0 CAADHN C[C@H]1NCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H]1C ZINC000262730809 525009829 /nfs/dbraw/zinc/00/98/29/525009829.db2.gz BMYJWOUHGXEHKT-HTQZYQBOSA-N 0 3 282.300 -1.384 20 0 CAADHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cn1ccc(=O)[nH]c1=O ZINC000237615338 525105208 /nfs/dbraw/zinc/10/52/08/525105208.db2.gz CJSZKBSZHQDQLX-DTWKUNHWSA-N 0 3 266.301 -1.255 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000366325978 525209580 /nfs/dbraw/zinc/20/95/80/525209580.db2.gz QGZSNIRNDDZALR-PSASIEDQSA-N 0 3 279.337 -1.162 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@@]2(F)CCNC2)C1 ZINC000366325980 525212730 /nfs/dbraw/zinc/21/27/30/525212730.db2.gz QGZSNIRNDDZALR-WCBMZHEXSA-N 0 3 279.337 -1.162 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000366325981 525212869 /nfs/dbraw/zinc/21/28/69/525212869.db2.gz QGZSNIRNDDZALR-WPRPVWTQSA-N 0 3 279.337 -1.162 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000262730826 525685947 /nfs/dbraw/zinc/68/59/47/525685947.db2.gz BMYJWOUHGXEHKT-JGVFFNPUSA-N 0 3 282.300 -1.384 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1C(=O)CN1CC(=O)NC1=O ZINC000262825079 525686070 /nfs/dbraw/zinc/68/60/70/525686070.db2.gz TXUIPGMYFNFYMS-JGVFFNPUSA-N 0 3 254.290 -1.253 20 0 CAADHN C[C@H](O)CN1CCN(C(=O)[C@H]2CNCCO2)C[C@H]1C ZINC000246263964 525760041 /nfs/dbraw/zinc/76/00/41/525760041.db2.gz LGMNDKZYDVBLJE-GRYCIOLGSA-N 0 3 271.361 -1.112 20 0 CAADHN CC(C(=O)N(C)CC(C)(CO)CO)S(C)(=O)=O ZINC000332486055 526242460 /nfs/dbraw/zinc/24/24/60/526242460.db2.gz PLMQGWSEQJNZPY-QMMMGPOBSA-N 0 3 267.347 -1.131 20 0 CAADHN O=C(NCCN1CCCS1(=O)=O)[C@@]1(F)CCNC1 ZINC000366329130 526311569 /nfs/dbraw/zinc/31/15/69/526311569.db2.gz WVFRUOXFNJRNNA-SNVBAGLBSA-N 0 3 279.337 -1.160 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)N1CCN(C2CC2)C(=O)C1 ZINC000333607708 526552145 /nfs/dbraw/zinc/55/21/45/526552145.db2.gz XNTQOOPDZFLNGT-NSHDSACASA-N 0 3 282.344 -1.009 20 0 CAADHN C[C@H](CNCCF)NC(=O)CN1CCC(=O)NC1=O ZINC001274980304 782164143 /nfs/dbraw/zinc/16/41/43/782164143.db2.gz DBZPWUMJQLYLKG-MRVPVSSYSA-N 0 3 274.296 -1.008 20 0 CAADHN CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424141496 526608150 /nfs/dbraw/zinc/60/81/50/526608150.db2.gz OTUZABTZTCFVIU-MNOVXSKESA-N 0 3 282.344 -1.469 20 0 CAADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCNCC2)CC1 ZINC000019976973 526615585 /nfs/dbraw/zinc/61/55/85/526615585.db2.gz ISPRMPMHFGKVLT-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CC(C)(C)[C@@H](CO)NCC(=O)N1CCNC(=O)C1 ZINC000180623995 526626602 /nfs/dbraw/zinc/62/66/02/526626602.db2.gz WQOOOZNEJMXJLE-SECBINFHSA-N 0 3 257.334 -1.059 20 0 CAADHN CC(=O)N1CCN(CCNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424141885 526626110 /nfs/dbraw/zinc/62/61/10/526626110.db2.gz XUUPTGHWSINNAX-MNOVXSKESA-N 0 3 254.334 -1.386 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(C)[C@H]1CCCN(C)C1 ZINC000151119032 526717807 /nfs/dbraw/zinc/71/78/07/526717807.db2.gz LOSOOSRWAYPNJC-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000347901873 526718000 /nfs/dbraw/zinc/71/80/00/526718000.db2.gz VGBIHDRPXOGUSP-LBPRGKRZSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000347901871 526718162 /nfs/dbraw/zinc/71/81/62/526718162.db2.gz VGBIHDRPXOGUSP-GFCCVEGCSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCC1(N(C)C)CCC1 ZINC000353357383 526719833 /nfs/dbraw/zinc/71/98/33/526719833.db2.gz VKBYKALTKAICMI-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN NCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000237949928 527157322 /nfs/dbraw/zinc/15/73/22/527157322.db2.gz NXGYGRDZRAAOQU-UHFFFAOYSA-N 0 3 268.317 -1.762 20 0 CAADHN CC(C)(N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000236777795 527240131 /nfs/dbraw/zinc/24/01/31/527240131.db2.gz LLOJETXDURTSNO-UHFFFAOYSA-N 0 3 298.387 -1.273 20 0 CAADHN CC(C)C(=O)N[C@@H](CO)C(=O)NCCOCCN(C)C ZINC000487217101 527516981 /nfs/dbraw/zinc/51/69/81/527516981.db2.gz QSOZATIDVPAKID-NSHDSACASA-N 0 3 289.376 -1.186 20 0 CAADHN CC(C)(C(N)=O)N1CCN(C(=O)C2(N)CC2)CC1 ZINC000353174184 527543610 /nfs/dbraw/zinc/54/36/10/527543610.db2.gz PCVQMXPDUGELGI-UHFFFAOYSA-N 0 3 254.334 -1.114 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000356081165 527728701 /nfs/dbraw/zinc/72/87/01/527728701.db2.gz SLUMNMGAXMYCNX-YPMHNXCESA-N 0 3 271.361 -1.110 20 0 CAADHN CC(C)NS(=O)(=O)CCNC(=O)COC1CNC1 ZINC000429892751 527736227 /nfs/dbraw/zinc/73/62/27/527736227.db2.gz PIOSFRLSRVWFRF-UHFFFAOYSA-N 0 3 279.362 -1.581 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@]2(O)CCN(C)C2)C1 ZINC000356081155 527737061 /nfs/dbraw/zinc/73/70/61/527737061.db2.gz SLUMNMGAXMYCNX-WCQYABFASA-N 0 3 271.361 -1.110 20 0 CAADHN CC1(C)C[C@H]1CNC(=O)C(=O)N(CCN)CCO ZINC000419030523 527757931 /nfs/dbraw/zinc/75/79/31/527757931.db2.gz HULDATMGXKVYDW-VIFPVBQESA-N 0 3 257.334 -1.072 20 0 CAADHN CCN(C)CCNC(=O)NCCN1CCNC(=O)C1 ZINC000358588342 527795195 /nfs/dbraw/zinc/79/51/95/527795195.db2.gz MOWFUHGXVSBMQW-UHFFFAOYSA-N 0 3 271.365 -1.331 20 0 CAADHN CCN(C)CCNC(=O)NCCS(=O)(=O)NC ZINC000190642561 527796869 /nfs/dbraw/zinc/79/68/69/527796869.db2.gz RERZLMHFAXOWMP-UHFFFAOYSA-N 0 3 266.367 -1.214 20 0 CAADHN CCN(C)CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC000117982687 527798321 /nfs/dbraw/zinc/79/83/21/527798321.db2.gz HXIMRKALNBVJRW-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN)[C@H]1OC ZINC000419699305 527805180 /nfs/dbraw/zinc/80/51/80/527805180.db2.gz BJALWMRXIWKMOT-OPRDCNLKSA-N 0 3 273.333 -1.288 20 0 CAADHN CCCN(C)CC(=O)NCCS(=O)(=O)NC ZINC000440177083 527822490 /nfs/dbraw/zinc/82/24/90/527822490.db2.gz VOLXXJKJRGEWNX-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN C[C@@H](CNCC(=O)NC(C)(C)C)NC(=O)CC(N)=O ZINC001275105904 782165315 /nfs/dbraw/zinc/16/53/15/782165315.db2.gz ZPVKLKFEYDHMLO-QMMMGPOBSA-N 0 3 272.349 -1.129 20 0 CAADHN CC(C)OCCN1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419821374 527958655 /nfs/dbraw/zinc/95/86/55/527958655.db2.gz UIFRKLXNMTZRQU-UHFFFAOYSA-N 0 3 286.376 -1.370 20 0 CAADHN CCN1C[C@H](NC(=O)N2CCOC3(CNC3)C2)CC1=O ZINC000333725274 527979354 /nfs/dbraw/zinc/97/93/54/527979354.db2.gz HAGWAZFVARMBGS-SNVBAGLBSA-N 0 3 282.344 -1.009 20 0 CAADHN CC(C)CN1CCO[C@H](CNC(=O)CNC(=O)CN)C1 ZINC000262277204 528017542 /nfs/dbraw/zinc/01/75/42/528017542.db2.gz XSLACJKFVKZHRG-LLVKDONJSA-N 0 3 286.376 -1.466 20 0 CAADHN CCN(CC)C(=O)N1CCN(C(=O)C(=O)NCCN)CC1 ZINC000419819706 528041386 /nfs/dbraw/zinc/04/13/86/528041386.db2.gz QOYSZNDGDGSDCI-UHFFFAOYSA-N 0 3 299.375 -1.333 20 0 CAADHN CCN(CC)CC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000103498309 528084153 /nfs/dbraw/zinc/08/41/53/528084153.db2.gz QJPXCVQJZPBDAJ-UHFFFAOYSA-N 0 3 278.378 -1.324 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C1 ZINC000435711127 528086641 /nfs/dbraw/zinc/08/66/41/528086641.db2.gz NDFJEKUGOGTJOD-GHMZBOCLSA-N 0 3 287.360 -1.084 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435711127 528086645 /nfs/dbraw/zinc/08/66/45/528086645.db2.gz NDFJEKUGOGTJOD-GHMZBOCLSA-N 0 3 287.360 -1.084 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)C2(N)CC2)CC1 ZINC000088130428 528090100 /nfs/dbraw/zinc/09/01/00/528090100.db2.gz ITXLBXBDVCXQPW-UHFFFAOYSA-N 0 3 254.334 -1.242 20 0 CAADHN CCNC(=O)CNC(=O)NCCOCCN(C)C ZINC000471655135 528099753 /nfs/dbraw/zinc/09/97/53/528099753.db2.gz UYLQQPZAYDJLTJ-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN CCNC(=O)N1CC[C@H](NC(=O)[C@@H](CN)OC)C1 ZINC000352997642 528152939 /nfs/dbraw/zinc/15/29/39/528152939.db2.gz AVPIIJAMRKBTEJ-DTWKUNHWSA-N 0 3 258.322 -1.120 20 0 CAADHN CCC[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC ZINC000236843332 528164465 /nfs/dbraw/zinc/16/44/65/528164465.db2.gz NTGRNHDWTFUWHL-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126125062 528189746 /nfs/dbraw/zinc/18/97/46/528189746.db2.gz BVVYKDKNJQCYIT-SCZZXKLOSA-N 0 3 272.349 -1.273 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cnnn1C ZINC001275135770 782166152 /nfs/dbraw/zinc/16/61/52/782166152.db2.gz MVQLBOPVJXDMGT-YUMQZZPRSA-N 0 3 266.305 -1.589 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1ccon1 ZINC001275085876 782166216 /nfs/dbraw/zinc/16/62/16/782166216.db2.gz VCQSNUGSTQSVGM-LURJTMIESA-N 0 3 269.261 -1.423 20 0 CAADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCNC(=O)[C@H]1C ZINC000419980706 528294578 /nfs/dbraw/zinc/29/45/78/528294578.db2.gz SCINQRSFNQSHEN-ZJUUUORDSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cnnn1C)C(N)=O ZINC001275136203 782166278 /nfs/dbraw/zinc/16/62/78/782166278.db2.gz SDMBFLPNYMMTSD-NKWVEPMBSA-N 0 3 254.294 -1.603 20 0 CAADHN CC(C)[C@@H](CNC(=O)CNC(=O)CN)N1CCOCC1 ZINC000262187981 528448826 /nfs/dbraw/zinc/44/88/26/528448826.db2.gz HPSXDJRJHIHTLX-LLVKDONJSA-N 0 3 286.376 -1.466 20 0 CAADHN CCN(CCNC(=O)CNC(=O)CNC(C)=O)C1CC1 ZINC000101961950 528482562 /nfs/dbraw/zinc/48/25/62/528482562.db2.gz DVAAWKCKXROFNX-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CCN(CCO)CCNC(=O)CN1CCOCC1 ZINC000347796469 528532176 /nfs/dbraw/zinc/53/21/76/528532176.db2.gz WEIARKDWXWOACT-UHFFFAOYSA-N 0 3 259.350 -1.251 20 0 CAADHN CCN(CCO)CCNC(=O)Cn1ncn(C)c1=O ZINC000183929001 528533795 /nfs/dbraw/zinc/53/37/95/528533795.db2.gz OXSHVZIJMYMFGE-UHFFFAOYSA-N 0 3 271.321 -1.988 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H](CO)NC(=O)C(C)C ZINC000487195019 528544603 /nfs/dbraw/zinc/54/46/03/528544603.db2.gz PDGKXOYAXCUEFF-NSHDSACASA-N 0 3 289.376 -1.450 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CCNC(=O)C1 ZINC000347808732 528546369 /nfs/dbraw/zinc/54/63/69/528546369.db2.gz OPVRWYQNIAZBRB-JTQLQIEISA-N 0 3 257.334 -1.057 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000356136145 528546386 /nfs/dbraw/zinc/54/63/86/528546386.db2.gz YAUCRXCQYPVNRT-NXEZZACHSA-N 0 3 273.333 -1.550 20 0 CAADHN CCOC(=O)C(NC(=O)COC1CNC1)C(=O)OCC ZINC000429771776 528573464 /nfs/dbraw/zinc/57/34/64/528573464.db2.gz WCXZCBHCQPJTDS-UHFFFAOYSA-N 0 3 288.300 -1.414 20 0 CAADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CC(NC(=O)NC)C1 ZINC000420123417 528795603 /nfs/dbraw/zinc/79/56/03/528795603.db2.gz NNMBEXNQPYFJOQ-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000420115882 528796246 /nfs/dbraw/zinc/79/62/46/528796246.db2.gz FSQPEEWJTZVEGW-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CC(C)N(C)CC(=O)NCCNS(C)(=O)=O ZINC000195308019 528811968 /nfs/dbraw/zinc/81/19/68/528811968.db2.gz DHGSMBAGAJPJCH-UHFFFAOYSA-N 0 3 251.352 -1.008 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)C(C)(C)C(N)=O)C(N)=O ZINC001275189394 782167599 /nfs/dbraw/zinc/16/75/99/782167599.db2.gz HUUWUQIXJJKAQA-JGVFFNPUSA-N 0 3 272.349 -1.144 20 0 CAADHN CCCC[C@H](CN)NC(=O)C(=O)N1CC(NC(=O)NC)C1 ZINC000420123416 528927679 /nfs/dbraw/zinc/92/76/79/528927679.db2.gz NNMBEXNQPYFJOQ-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(C)N1C(=O)CN(C(=O)C(=O)NCCN)CC1(C)C ZINC000419822204 528970509 /nfs/dbraw/zinc/97/05/09/528970509.db2.gz VVKDICLWJQATTA-UHFFFAOYSA-N 0 3 284.360 -1.081 20 0 CAADHN CCN1CCCN(C(=O)CNC(=O)CNC(C)=O)CC1 ZINC000133433481 529021048 /nfs/dbraw/zinc/02/10/48/529021048.db2.gz KYJJGYPGFIOSKM-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN CC(C)N1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423705763 529030580 /nfs/dbraw/zinc/03/05/80/529030580.db2.gz IMMMRHVXWNALOD-UHFFFAOYSA-N 0 3 256.350 -1.044 20 0 CAADHN CC(C)N1CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC1=O ZINC000423719189 529030632 /nfs/dbraw/zinc/03/06/32/529030632.db2.gz MLTDVSQJOMPTIX-SNVBAGLBSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(C)N1CCN(C(=O)C(=O)N2CCCNCC2)CC1=O ZINC000332340972 529031836 /nfs/dbraw/zinc/03/18/36/529031836.db2.gz POHAIVHJZIHQPZ-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC(=O)NC1CC1 ZINC000126122617 529036308 /nfs/dbraw/zinc/03/63/08/529036308.db2.gz VONGSTVABCRBOX-LBPRGKRZSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(CCO)CC1 ZINC000126108315 529037018 /nfs/dbraw/zinc/03/70/18/529037018.db2.gz SCASSPKVGRIBDU-LBPRGKRZSA-N 0 3 286.376 -1.778 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000261584200 529037467 /nfs/dbraw/zinc/03/74/67/529037467.db2.gz HROZYGGCWOBBEC-KWQFWETISA-N 0 3 270.333 -1.567 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCCNC1=O ZINC000126295350 529037872 /nfs/dbraw/zinc/03/78/72/529037872.db2.gz INUYIMJGLZCDHT-WPRPVWTQSA-N 0 3 270.333 -1.519 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C(N)=O)C(C)C ZINC000038778622 529038133 /nfs/dbraw/zinc/03/81/33/529038133.db2.gz BBSVQVZMJIIZFR-UWVGGRQHSA-N 0 3 272.349 -1.288 20 0 CAADHN CCN1CCCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000104952703 529039610 /nfs/dbraw/zinc/03/96/10/529039610.db2.gz NMVOVLNMONJGCR-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN CCOC(=O)NCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000495683269 529044283 /nfs/dbraw/zinc/04/42/83/529044283.db2.gz BDABPICJYRMJJS-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C(C)(C)C(N)=O ZINC001275190782 782167754 /nfs/dbraw/zinc/16/77/54/782167754.db2.gz ZRTMCHGGYPMFKI-BQBZGAKWSA-N 0 3 258.322 -1.534 20 0 CAADHN CC(C)N1CC[C@@H](NC(=O)[C@H]2C[C@H](O)CN2)C1=O ZINC000432523833 529069395 /nfs/dbraw/zinc/06/93/95/529069395.db2.gz OYBSPUHAKYLJLW-IVZWLZJFSA-N 0 3 255.318 -1.165 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)C(=O)N(C)CCN)CC1=O ZINC000419505024 529091480 /nfs/dbraw/zinc/09/14/80/529091480.db2.gz ILLLHSRJDQJRMY-VIFPVBQESA-N 0 3 270.333 -1.471 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)CN)CC1=O ZINC000419507169 529093694 /nfs/dbraw/zinc/09/36/94/529093694.db2.gz OCBWQOOWJHTYRQ-UWVGGRQHSA-N 0 3 284.360 -1.083 20 0 CAADHN CC(C)N1C[C@H](NC(=O)C(=O)N[C@H](CN)C2CC2)CC1=O ZINC000419501950 529100036 /nfs/dbraw/zinc/10/00/36/529100036.db2.gz AHCYLHRSJZEUHM-GHMZBOCLSA-N 0 3 296.371 -1.035 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NCCC[C@@H](C)O)n1 ZINC000343098864 529111518 /nfs/dbraw/zinc/11/15/18/529111518.db2.gz MBLSEAULLVBKSE-SNVBAGLBSA-N 0 3 298.391 -1.065 20 0 CAADHN CCN1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC1=O ZINC000423713696 529112956 /nfs/dbraw/zinc/11/29/56/529112956.db2.gz FKUNYVDUMZAWCH-VIFPVBQESA-N 0 3 270.333 -1.517 20 0 CAADHN CCN1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC1 ZINC000423729968 529113220 /nfs/dbraw/zinc/11/32/20/529113220.db2.gz XRXVICRUVODGQW-JTQLQIEISA-N 0 3 256.350 -1.044 20 0 CAADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)CN)CC1 ZINC000489850009 529114741 /nfs/dbraw/zinc/11/47/41/529114741.db2.gz SXHKYIYZHAXXEV-UHFFFAOYSA-N 0 3 256.306 -1.860 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2C[C@@H](O)C[C@H]2C)n1 ZINC000343221752 529115173 /nfs/dbraw/zinc/11/51/73/529115173.db2.gz CVPNDHOTTKLNRG-ZJUUUORDSA-N 0 3 296.375 -1.101 20 0 CAADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)N)CC1 ZINC000151922355 529115232 /nfs/dbraw/zinc/11/52/32/529115232.db2.gz PRNYOGJFHLAFFL-SECBINFHSA-N 0 3 270.333 -1.471 20 0 CAADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@H](C)N)CC1 ZINC000151922437 529115967 /nfs/dbraw/zinc/11/59/67/529115967.db2.gz PRNYOGJFHLAFFL-VIFPVBQESA-N 0 3 270.333 -1.471 20 0 CAADHN CCN1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1=O ZINC000420037994 529120822 /nfs/dbraw/zinc/12/08/22/529120822.db2.gz MMWRYAXMTWMMQZ-JTQLQIEISA-N 0 3 282.344 -1.469 20 0 CAADHN CCN1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)[C@H](C)C1=O ZINC000420070704 529121734 /nfs/dbraw/zinc/12/17/34/529121734.db2.gz WZQBPNOTUNZZDU-MWLCHTKSSA-N 0 3 296.371 -1.081 20 0 CAADHN CCN1CCN(C(=O)NC[C@H]2CNCCO2)CC1=O ZINC000333517952 529128328 /nfs/dbraw/zinc/12/83/28/529128328.db2.gz KCCVICUDSBINJZ-SNVBAGLBSA-N 0 3 270.333 -1.152 20 0 CAADHN CC(C)NC(=O)CN1CCN(C(=O)COC2CNC2)CC1 ZINC000430856475 529129448 /nfs/dbraw/zinc/12/94/48/529129448.db2.gz FQVAQDRTZVFTFF-UHFFFAOYSA-N 0 3 298.387 -1.356 20 0 CAADHN CC(C)NC(=O)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126109203 529131035 /nfs/dbraw/zinc/13/10/35/529131035.db2.gz CKUPKGFHKXTXBP-NSHDSACASA-N 0 3 272.349 -1.273 20 0 CAADHN CCN1CCN(CC(=O)N2CCCN(C)CC2)C(=O)C1=O ZINC000121338192 529136878 /nfs/dbraw/zinc/13/68/78/529136878.db2.gz GJAGHAPSFIZEIP-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN CCN1CCN(CC(=O)N2CCN[C@H](C)[C@@H]2C)C(=O)C1=O ZINC000262740857 529137278 /nfs/dbraw/zinc/13/72/78/529137278.db2.gz DSANEKUTHPYWMJ-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN CCN1CCN(CC(=O)N2C[C@@H](C)NC[C@H]2C)C(=O)C1=O ZINC000236870959 529137424 /nfs/dbraw/zinc/13/74/24/529137424.db2.gz GKDKZLNPAUTENS-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN CCN1CCN(CC(=O)NC[C@@H](C)N(C)C)C(=O)C1=O ZINC000344496232 529138077 /nfs/dbraw/zinc/13/80/77/529138077.db2.gz QJORCYOMDYFYJZ-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CCN1CCN(CC(=O)NC[C@H](C)N(C)C)C(=O)C1=O ZINC000344496231 529138083 /nfs/dbraw/zinc/13/80/83/529138083.db2.gz QJORCYOMDYFYJZ-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN CCN1CCN(CCNC(=O)CNCCOC)CC1 ZINC000431002589 529145767 /nfs/dbraw/zinc/14/57/67/529145767.db2.gz MYDYKQYBXVPHCR-UHFFFAOYSA-N 0 3 272.393 -1.024 20 0 CAADHN CCN1CCN(CCNC(=O)COC2CNC2)CC1 ZINC000431011833 529145821 /nfs/dbraw/zinc/14/58/21/529145821.db2.gz VSSDQCJJZWXKJJ-UHFFFAOYSA-N 0 3 270.377 -1.272 20 0 CAADHN CC[C@H]1C(=O)N(CC)CCN1C(=O)C(=O)NCCN ZINC000419814183 529188845 /nfs/dbraw/zinc/18/88/45/529188845.db2.gz IBTUZBUZZZOQRL-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CC[C@H]1C(=O)NCCN1C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126338255 529193861 /nfs/dbraw/zinc/19/38/61/529193861.db2.gz QMYOURNHSOWAHB-ONGXEEELSA-N 0 3 284.360 -1.177 20 0 CAADHN CC[C@@H](O)CNc1nc(NC)nc(NC[C@@H](O)CC)n1 ZINC000420633507 529230540 /nfs/dbraw/zinc/23/05/40/529230540.db2.gz YPMUPBJDRHRMDE-DTORHVGOSA-N 0 3 284.364 -1.455 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CCNC1=O ZINC001275267944 782168177 /nfs/dbraw/zinc/16/81/77/782168177.db2.gz YKCHPQDUWACNBX-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H]1CN(C(=O)CNC(=O)CN)CCN1CCOC ZINC000125231095 529269646 /nfs/dbraw/zinc/26/96/46/529269646.db2.gz FBNOTKSRRMXALK-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN CC[C@@H](C(=O)N1CCN(CC(N)=O)CC1)N(C)C ZINC000178477222 529277707 /nfs/dbraw/zinc/27/77/07/529277707.db2.gz CTINCERXXAHZPZ-JTQLQIEISA-N 0 3 256.350 -1.044 20 0 CAADHN CC[C@H]1CN(C(=O)[C@H](N)CC(N)=O)CCN1CCOC ZINC000353702960 529279183 /nfs/dbraw/zinc/27/91/83/529279183.db2.gz KPXISBKFSZVIEE-WDEREUQCSA-N 0 3 286.376 -1.242 20 0 CAADHN CC[C@H]1COCCN1C(=O)C(=O)NCCNCCOC ZINC000420180652 529306753 /nfs/dbraw/zinc/30/67/53/529306753.db2.gz HCAWTFVASYPIJD-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CC[C@@H]1CN(C(=O)CNC(=O)CN)CCN1C[C@@H](C)O ZINC000262377407 529363040 /nfs/dbraw/zinc/36/30/40/529363040.db2.gz JVBSBXKLJORRDK-GHMZBOCLSA-N 0 3 286.376 -1.635 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1c[nH]c(=O)n1C ZINC001275267670 782168209 /nfs/dbraw/zinc/16/82/09/782168209.db2.gz SVFXNHANHQRATI-BQBZGAKWSA-N 0 3 269.305 -1.293 20 0 CAADHN CC1(OCC(=O)NC[C@H]2CN3CCN2CCC3)CNC1 ZINC000394392561 545498405 /nfs/dbraw/zinc/49/84/05/545498405.db2.gz RMZUIKBVMXSXDQ-LBPRGKRZSA-N 0 3 282.388 -1.129 20 0 CAADHN Cn1cc(OCC(=O)NC[C@]2(O)CCN(C)C2)cn1 ZINC000669717637 545497250 /nfs/dbraw/zinc/49/72/50/545497250.db2.gz WMCLPILGDOYLMI-GFCCVEGCSA-N 0 3 268.317 -1.018 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N[C@H]1CCCN(C)C1 ZINC000668330146 545497810 /nfs/dbraw/zinc/49/78/10/545497810.db2.gz MKXSFEALUAWVDL-VIFPVBQESA-N 0 3 278.378 -1.407 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCCN(C)C1 ZINC000668330145 545498042 /nfs/dbraw/zinc/49/80/42/545498042.db2.gz MKXSFEALUAWVDL-SECBINFHSA-N 0 3 278.378 -1.407 20 0 CAADHN O=C(NC[C@H]1CN2CCN1CCC2)[C@@H]1CNCCO1 ZINC000394388944 545498692 /nfs/dbraw/zinc/49/86/92/545498692.db2.gz NRHBYZPUXJONOH-RYUDHWBXSA-N 0 3 268.361 -1.519 20 0 CAADHN O=C(C[C@H]1COCCN1)NC[C@H]1CN2CCN1CCC2 ZINC000394391814 545498822 /nfs/dbraw/zinc/49/88/22/545498822.db2.gz MBUNFQDMCVQUFD-STQMWFEESA-N 0 3 282.388 -1.129 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC000668435706 545499290 /nfs/dbraw/zinc/49/92/90/545499290.db2.gz MCSKFBFJJOVXRP-VHSXEESVSA-N 0 3 255.318 -1.041 20 0 CAADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CC(=O)N1 ZINC000668538053 545501004 /nfs/dbraw/zinc/50/10/04/545501004.db2.gz UBJQFSDQUXBOCK-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CN(Cc1cn(C)c(=O)n(C)c1=O)C[C@@H]1COCCO1 ZINC000668542712 545501307 /nfs/dbraw/zinc/50/13/07/545501307.db2.gz PHPHHFUVVMNOGR-LLVKDONJSA-N 0 3 283.328 -1.069 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000648165851 545501371 /nfs/dbraw/zinc/50/13/71/545501371.db2.gz LVJMFZSZEDHKPW-VIFPVBQESA-N 0 3 271.317 -1.662 20 0 CAADHN CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@H]1CN2CCC1CC2 ZINC000668589051 545503124 /nfs/dbraw/zinc/50/31/24/545503124.db2.gz WRVKDHZHCSCDMP-REWJHTLYSA-N 0 3 296.367 -1.048 20 0 CAADHN CN(C)CC[C@@](C)(O)CNC(=O)CCn1ncn(C)c1=O ZINC000655393204 545504321 /nfs/dbraw/zinc/50/43/21/545504321.db2.gz UABMBWYDFFKYMM-CYBMUJFWSA-N 0 3 299.375 -1.209 20 0 CAADHN COCCOCCS(=O)(=O)N(C)C1CNC1 ZINC000647299375 545507583 /nfs/dbraw/zinc/50/75/83/545507583.db2.gz BBXFGDDUOKMHKA-UHFFFAOYSA-N 0 3 252.336 -1.117 20 0 CAADHN CN1CC[C@](O)(CNc2cc(=O)n(C)c(=O)n2C)C1 ZINC000663803358 545507686 /nfs/dbraw/zinc/50/76/86/545507686.db2.gz OTKJFZMTMNFAQX-LBPRGKRZSA-N 0 3 268.317 -1.438 20 0 CAADHN NCC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000648178352 545508953 /nfs/dbraw/zinc/50/89/53/545508953.db2.gz UHKSLNINZCIKBS-UHFFFAOYSA-N 0 3 262.335 -2.609 20 0 CAADHN CCCCN(C)CCNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668730558 545509297 /nfs/dbraw/zinc/50/92/97/545509297.db2.gz QMIUWGGJOQPMPD-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC[C@H]2CN(C)CCN2C)C[C@@H]1O ZINC000664083473 545510012 /nfs/dbraw/zinc/51/00/12/545510012.db2.gz RJUQBUQHXBGCOC-AVGNSLFASA-N 0 3 299.419 -1.452 20 0 CAADHN CCN(CCNC(=O)C(=O)N[C@H]1CCNC1=O)C1CC1 ZINC000668777741 545510818 /nfs/dbraw/zinc/51/08/18/545510818.db2.gz WYDDYODNZSJYGG-JTQLQIEISA-N 0 3 282.344 -1.408 20 0 CAADHN CCNC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000081266389 545511314 /nfs/dbraw/zinc/51/13/14/545511314.db2.gz WUJTZQWIMXZCCJ-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668933136 545518530 /nfs/dbraw/zinc/51/85/30/545518530.db2.gz BUEAMVHZESKGFK-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)CCNC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000651240540 545516130 /nfs/dbraw/zinc/51/61/30/545516130.db2.gz PFXJGDPEIWBDTE-VIFPVBQESA-N 0 3 278.378 -1.119 20 0 CAADHN COCCN(C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651235414 545516281 /nfs/dbraw/zinc/51/62/81/545516281.db2.gz VOLYGPVITNVPNS-SECBINFHSA-N 0 3 279.362 -1.628 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)N(C)C1CC1 ZINC000651240437 545516393 /nfs/dbraw/zinc/51/63/93/545516393.db2.gz JPBYUKYUZXIKRA-QMMMGPOBSA-N 0 3 280.332 -1.024 20 0 CAADHN COC[C@@H](O)CN(CCO)CCN1CCOCC1 ZINC000086168739 545517199 /nfs/dbraw/zinc/51/71/99/545517199.db2.gz HTBGQAUJDUFJDE-LBPRGKRZSA-N 0 3 262.350 -1.380 20 0 CAADHN CCN1CCC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000651265578 545517493 /nfs/dbraw/zinc/51/74/93/545517493.db2.gz FVQXERUPHXKKKK-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C(=O)NC1CC1 ZINC000647673138 545513771 /nfs/dbraw/zinc/51/37/71/545513771.db2.gz COAXXLCWPBHEEV-SECBINFHSA-N 0 3 282.344 -1.157 20 0 CAADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2cnnn2C)CCO1 ZINC000330084732 545513861 /nfs/dbraw/zinc/51/38/61/545513861.db2.gz RBCOSPVGYDDXCW-SECBINFHSA-N 0 3 289.361 -1.234 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000669178621 545521103 /nfs/dbraw/zinc/52/11/03/545521103.db2.gz HFWVAWUTLLIPAH-SNVBAGLBSA-N 0 3 292.405 -1.065 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CCN1C ZINC000669183089 545521937 /nfs/dbraw/zinc/52/19/37/545521937.db2.gz NZWSTVPZXKHKAF-UWVGGRQHSA-N 0 3 292.405 -1.019 20 0 CAADHN CCCN(CC)CCNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000669221687 545521943 /nfs/dbraw/zinc/52/19/43/545521943.db2.gz WPOJHDKFIPDBIQ-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)N(C)C)CCN1C ZINC000669183088 545522183 /nfs/dbraw/zinc/52/21/83/545522183.db2.gz NZWSTVPZXKHKAF-NXEZZACHSA-N 0 3 292.405 -1.019 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)NCC(=O)N(C)C ZINC000337377295 545522583 /nfs/dbraw/zinc/52/25/83/545522583.db2.gz BBAAONKOQQPHFL-LLVKDONJSA-N 0 3 260.338 -1.314 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000645211309 545525991 /nfs/dbraw/zinc/52/59/91/545525991.db2.gz HCKXSLXQLXBFDP-UHFFFAOYSA-N 0 3 298.387 -1.403 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000652699903 545526790 /nfs/dbraw/zinc/52/67/90/545526790.db2.gz HENJXZVEIWRXHF-MWLCHTKSSA-N 0 3 295.343 -1.217 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652704553 545527659 /nfs/dbraw/zinc/52/76/59/545527659.db2.gz NDQWRZOHWMIBAF-DBIOUOCHSA-N 0 3 283.328 -1.473 20 0 CAADHN CC(C)NC(=O)CCNC(=O)CN1CCNCC1 ZINC000228381541 545528419 /nfs/dbraw/zinc/52/84/19/545528419.db2.gz JMFWNLNRFIOQCY-UHFFFAOYSA-N 0 3 256.350 -1.078 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)NCCN(C)C1CC1 ZINC000275539813 545528612 /nfs/dbraw/zinc/52/86/12/545528612.db2.gz YNJKHTZELCUEEE-UHFFFAOYSA-N 0 3 270.333 -1.599 20 0 CAADHN CN(CCCO)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000281961957 545529211 /nfs/dbraw/zinc/52/92/11/545529211.db2.gz VFNXCWWPEYIAMU-UHFFFAOYSA-N 0 3 295.343 -1.252 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CCc3ncnn3C2)C[C@@H]1O ZINC000647995527 545534667 /nfs/dbraw/zinc/53/46/67/545534667.db2.gz GOUSVTYXSRJRQC-VWYCJHECSA-N 0 3 294.359 -1.091 20 0 CAADHN CN(C)C[C@@H]1CCCN1C(=O)CNS(=O)(=O)N(C)C ZINC000668012608 545530589 /nfs/dbraw/zinc/53/05/89/545530589.db2.gz GFRRNUSEPSJUMR-JTQLQIEISA-N 0 3 292.405 -1.065 20 0 CAADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000340259773 545530616 /nfs/dbraw/zinc/53/06/16/545530616.db2.gz LDOKOUFSYROHKX-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN COC[C@@](C)(O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652734306 545530633 /nfs/dbraw/zinc/53/06/33/545530633.db2.gz FCBJETLPMNOIJS-CYBMUJFWSA-N 0 3 287.360 -1.384 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CCC(=O)N2C)CC1=O ZINC000652734461 545530743 /nfs/dbraw/zinc/53/07/43/545530743.db2.gz LJFGSZJXPLTZGP-LLVKDONJSA-N 0 3 296.371 -1.160 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CCCC(=O)N2)CC1=O ZINC000652733872 545530843 /nfs/dbraw/zinc/53/08/43/545530843.db2.gz SLJJMYIGYPWHLO-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N1 ZINC000667893633 545530897 /nfs/dbraw/zinc/53/08/97/545530897.db2.gz UWVYLWNLXZUIIF-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C[C@@H]1CCCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000668013053 545530941 /nfs/dbraw/zinc/53/09/41/545530941.db2.gz PQZJDISPNXHZHD-UMSGYPCISA-N 0 3 284.356 -1.048 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2cnn(C)c2N)CC1=O ZINC000652734237 545531114 /nfs/dbraw/zinc/53/11/14/545531114.db2.gz BLDBAGVZJJDSNB-UHFFFAOYSA-N 0 3 294.359 -1.152 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCC(=O)N2C)CC1=O ZINC000652734462 545531132 /nfs/dbraw/zinc/53/11/32/545531132.db2.gz LJFGSZJXPLTZGP-NSHDSACASA-N 0 3 296.371 -1.160 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC000673519783 545531802 /nfs/dbraw/zinc/53/18/02/545531802.db2.gz GHYWKGJNDWKXFK-MRVPVSSYSA-N 0 3 254.290 -1.234 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCCNCC1 ZINC000659565973 545531841 /nfs/dbraw/zinc/53/18/41/545531841.db2.gz WNCXVEJZQHUQHJ-UWVGGRQHSA-N 0 3 291.373 -1.197 20 0 CAADHN CC(C(=O)N[C@@H](CO)CN(C)C)S(C)(=O)=O ZINC000673520647 545531940 /nfs/dbraw/zinc/53/19/40/545531940.db2.gz FZXBHLXHSWILFI-HTQZYQBOSA-N 0 3 252.336 -1.542 20 0 CAADHN CC(C(=O)N[C@H](CO)CN(C)C)S(C)(=O)=O ZINC000673520650 545531965 /nfs/dbraw/zinc/53/19/65/545531965.db2.gz FZXBHLXHSWILFI-YUMQZZPRSA-N 0 3 252.336 -1.542 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCCNCC1 ZINC000659566008 545532333 /nfs/dbraw/zinc/53/23/33/545532333.db2.gz WNCXVEJZQHUQHJ-ZJUUUORDSA-N 0 3 291.373 -1.197 20 0 CAADHN NC(=O)[C@H]1C[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000652793659 545532796 /nfs/dbraw/zinc/53/27/96/545532796.db2.gz KDTHRXYSPNQCBZ-OUAUKWLOSA-N 0 3 266.345 -1.244 20 0 CAADHN NC(=O)[C@H]1C[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000652793658 545533456 /nfs/dbraw/zinc/53/34/56/545533456.db2.gz KDTHRXYSPNQCBZ-AXFHLTTASA-N 0 3 266.345 -1.244 20 0 CAADHN C[C@H](Cn1cncn1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000647994888 545534872 /nfs/dbraw/zinc/53/48/72/545534872.db2.gz BRHNISIRNQLDDP-VWYCJHECSA-N 0 3 282.348 -1.017 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CCc3ncnn3C2)C[C@@H]1O ZINC000647995526 545534149 /nfs/dbraw/zinc/53/41/49/545534149.db2.gz GOUSVTYXSRJRQC-DCAQKATOSA-N 0 3 294.359 -1.091 20 0 CAADHN CS(=O)(=O)NCCCNC(=O)CN1CCNCC1 ZINC000230997653 545535405 /nfs/dbraw/zinc/53/54/05/545535405.db2.gz QGYCUTAVLCHHEA-UHFFFAOYSA-N 0 3 278.378 -2.053 20 0 CAADHN CCN(C)C(=O)[C@@H](C)NC(=O)CN1CCNCC1 ZINC000231854232 545536000 /nfs/dbraw/zinc/53/60/00/545536000.db2.gz UKZXYCQIDKTSMC-SNVBAGLBSA-N 0 3 256.350 -1.125 20 0 CAADHN CCN(C)C(=O)[C@H](C)NC(=O)CN1CCNCC1 ZINC000231854234 545536183 /nfs/dbraw/zinc/53/61/83/545536183.db2.gz UKZXYCQIDKTSMC-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN C[C@H]1NC(=O)CC[C@@H]1NCC(=O)N1CCNC(=O)C1 ZINC000333371901 545536589 /nfs/dbraw/zinc/53/65/89/545536589.db2.gz ZECWVJHCYJZTJG-BDAKNGLRSA-N 0 3 268.317 -1.799 20 0 CAADHN O=C(CN1CCNCC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000232282638 545537791 /nfs/dbraw/zinc/53/77/91/545537791.db2.gz UGGMRMQAOIWXNJ-GHMZBOCLSA-N 0 3 266.345 -1.371 20 0 CAADHN Cn1cnn(CC(=O)NC[C@H](O)CN2CCCCC2)c1=O ZINC000352470710 545537985 /nfs/dbraw/zinc/53/79/85/545537985.db2.gz MEAOSKYEEHQQRJ-NSHDSACASA-N 0 3 297.359 -1.455 20 0 CAADHN CNC(=O)[C@H]1CCCN(C(=O)CN2CCNCC2)C1 ZINC000232281812 545538272 /nfs/dbraw/zinc/53/82/72/545538272.db2.gz SJUFBULKPQHVBG-NSHDSACASA-N 0 3 268.361 -1.124 20 0 CAADHN NC(=O)[C@H]1CN(CCOCC(F)F)C[C@H]1C(N)=O ZINC000639843425 545540374 /nfs/dbraw/zinc/54/03/74/545540374.db2.gz FRCTUIXULYLATJ-KNVOCYPGSA-N 0 3 265.260 -1.213 20 0 CAADHN C[C@@H]1NC(=O)N(CCN2C[C@H](O)C[C@@]2(C)CO)C1=O ZINC000639847520 545540464 /nfs/dbraw/zinc/54/04/64/545540464.db2.gz BRXPCXOTDVAILM-SBMIAAHKSA-N 0 3 271.317 -1.256 20 0 CAADHN C[C@@H]1NC(=O)N(CCN2C[C@@H](O)C[C@@]2(C)CO)C1=O ZINC000639847514 545540592 /nfs/dbraw/zinc/54/05/92/545540592.db2.gz BRXPCXOTDVAILM-AUTRQRHGSA-N 0 3 271.317 -1.256 20 0 CAADHN NC(=O)[C@H]1CN(CCO[C@H]2CC2(F)F)C[C@H]1C(N)=O ZINC000639846331 545540841 /nfs/dbraw/zinc/54/08/41/545540841.db2.gz OUIRLFFAJIONFE-RNJXMRFFSA-N 0 3 277.271 -1.071 20 0 CAADHN NC(=O)[C@H]1CN(CCOCC(F)F)C[C@@H]1C(N)=O ZINC000639843423 545540903 /nfs/dbraw/zinc/54/09/03/545540903.db2.gz FRCTUIXULYLATJ-BQBZGAKWSA-N 0 3 265.260 -1.213 20 0 CAADHN CN(C)C(=O)CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358654884 545542270 /nfs/dbraw/zinc/54/22/70/545542270.db2.gz AARBRXABZNEJOV-NSHDSACASA-N 0 3 258.322 -1.560 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000645623089 545543961 /nfs/dbraw/zinc/54/39/61/545543961.db2.gz MCNNJDPBZONOBX-ZJUUUORDSA-N 0 3 282.344 -1.647 20 0 CAADHN COC[C@@H](NC(=O)C(=O)NC1CNC1)C1CCOCC1 ZINC000659713119 545544379 /nfs/dbraw/zinc/54/43/79/545544379.db2.gz BSXCFVSEEUZXRA-LLVKDONJSA-N 0 3 285.344 -1.368 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000645623087 545544395 /nfs/dbraw/zinc/54/43/95/545544395.db2.gz MCNNJDPBZONOBX-UWVGGRQHSA-N 0 3 282.344 -1.647 20 0 CAADHN COC[C@H](NC(=O)C(=O)NC1CNC1)C1CCOCC1 ZINC000659713121 545544465 /nfs/dbraw/zinc/54/44/65/545544465.db2.gz BSXCFVSEEUZXRA-NSHDSACASA-N 0 3 285.344 -1.368 20 0 CAADHN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NCCN)C1 ZINC000659709183 545544627 /nfs/dbraw/zinc/54/46/27/545544627.db2.gz GLYNFSXHHFOVRE-SECBINFHSA-N 0 3 285.348 -1.724 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCCN(C)C1 ZINC000653017032 545545783 /nfs/dbraw/zinc/54/57/83/545545783.db2.gz GMJMWXOUBCUVNR-QMMMGPOBSA-N 0 3 264.351 -1.749 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@H](CN2CCCC2=O)C1 ZINC000659714493 545546805 /nfs/dbraw/zinc/54/68/05/545546805.db2.gz MDZDWJABXXKABG-SNVBAGLBSA-N 0 3 294.355 -1.455 20 0 CAADHN C[C@@]1(C(N)=O)CCN(C(=O)CN2CCNCC2)C1 ZINC000235408960 545547532 /nfs/dbraw/zinc/54/75/32/545547532.db2.gz DADBOHMWPMGKGW-GFCCVEGCSA-N 0 3 254.334 -1.385 20 0 CAADHN Cn1c2ncn(C[C@@H]3CNCCO3)c2c(=O)n(C)c1=O ZINC000205562989 545547606 /nfs/dbraw/zinc/54/76/06/545547606.db2.gz LPMBCLBTWBXRMS-QMMMGPOBSA-N 0 3 279.300 -1.578 20 0 CAADHN COCCNCC(=O)NCC(C)(C)NS(C)(=O)=O ZINC000092510278 545547944 /nfs/dbraw/zinc/54/79/44/545547944.db2.gz YDCYZHLXRHSCAV-UHFFFAOYSA-N 0 3 281.378 -1.334 20 0 CAADHN CCN(CC)C[C@@H](C)NC(=O)C(=O)N1CCNC(=O)C1 ZINC000343018284 545548175 /nfs/dbraw/zinc/54/81/75/545548175.db2.gz VWTKUVGIBXFMHE-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN COCCN(C)CCNC(=O)NC[C@H](C)S(N)(=O)=O ZINC000669646686 545548654 /nfs/dbraw/zinc/54/86/54/545548654.db2.gz YHYJCHRGHZAZKY-VIFPVBQESA-N 0 3 296.393 -1.459 20 0 CAADHN CN1CCO[C@H](CNC(=O)CN2CCNCC2)C1 ZINC000091669445 545548723 /nfs/dbraw/zinc/54/87/23/545548723.db2.gz QNFMGPOJZUONDI-LLVKDONJSA-N 0 3 256.350 -1.662 20 0 CAADHN COCC(=O)N1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000098060811 545550410 /nfs/dbraw/zinc/55/04/10/545550410.db2.gz ANJAXUCPNDEQBS-UHFFFAOYSA-N 0 3 285.344 -1.318 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000098061621 545550638 /nfs/dbraw/zinc/55/06/38/545550638.db2.gz NLSQMNXOVXMYRV-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN CC1(OCC(=O)NCCCS(C)(=O)=O)CNC1 ZINC000098061082 545550810 /nfs/dbraw/zinc/55/08/10/545550810.db2.gz GNXDIOSOPHLJJB-UHFFFAOYSA-N 0 3 264.347 -1.084 20 0 CAADHN CN1CCN(C)[C@@H](CNC(=O)COC2(C)CNC2)C1 ZINC000098061786 545550874 /nfs/dbraw/zinc/55/08/74/545550874.db2.gz QCVLMSFKYVGFBX-NSHDSACASA-N 0 3 270.377 -1.273 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N(C)C[C@H](C)O ZINC000673148984 545551550 /nfs/dbraw/zinc/55/15/50/545551550.db2.gz ADPAFVURCUUCBA-NSHDSACASA-N 0 3 289.376 -1.090 20 0 CAADHN CC(C(=O)NC1CC(NS(C)(=O)=O)C1)S(C)(=O)=O ZINC000669920411 545555414 /nfs/dbraw/zinc/55/54/14/545555414.db2.gz OCJULZVAZAAPEU-KKMMWDRVSA-N 0 3 298.386 -1.384 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)N1CCNC(=O)C1 ZINC000459833372 545552535 /nfs/dbraw/zinc/55/25/35/545552535.db2.gz MJCCXNISQZCGSS-UHFFFAOYSA-N 0 3 282.344 -1.503 20 0 CAADHN CC(C)[C@@H](C(=O)N1CCN(CC(N)=O)C(=O)C1)N(C)C ZINC000458053246 545552668 /nfs/dbraw/zinc/55/26/68/545552668.db2.gz RRIPLZSSRRWCKD-LBPRGKRZSA-N 0 3 284.360 -1.271 20 0 CAADHN CCN(CC)CC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000629535304 545553068 /nfs/dbraw/zinc/55/30/68/545553068.db2.gz DAMIDACPYONSCL-UHFFFAOYSA-N 0 3 292.405 -1.065 20 0 CAADHN CN[C@@H](C)C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000054074777 545561448 /nfs/dbraw/zinc/56/14/48/545561448.db2.gz XHUJDRCBFZSCJA-JTQLQIEISA-N 0 3 256.350 -1.173 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCOC1 ZINC000672284058 545561494 /nfs/dbraw/zinc/56/14/94/545561494.db2.gz XXSKXUGEVORWNN-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN COCCOCCS(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000649422681 545562604 /nfs/dbraw/zinc/56/26/04/545562604.db2.gz APNNHBAFSHKUJZ-NSHDSACASA-N 0 3 295.405 -1.446 20 0 CAADHN CN(C1CC1)S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000649422994 545562768 /nfs/dbraw/zinc/56/27/68/545562768.db2.gz QGLPLFHYHRZTDL-SNVBAGLBSA-N 0 3 262.379 -1.100 20 0 CAADHN COCCOCCS(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000649422680 545562791 /nfs/dbraw/zinc/56/27/91/545562791.db2.gz APNNHBAFSHKUJZ-LLVKDONJSA-N 0 3 295.405 -1.446 20 0 CAADHN Cn1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CN)n1 ZINC000649422677 545563051 /nfs/dbraw/zinc/56/30/51/545563051.db2.gz AHQOWLQOLJHGLL-VIFPVBQESA-N 0 3 273.362 -1.317 20 0 CAADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCNC(=O)C1 ZINC000672306134 545564069 /nfs/dbraw/zinc/56/40/69/545564069.db2.gz SZJCTVFXFXVABY-NSHDSACASA-N 0 3 294.355 -1.455 20 0 CAADHN CN(C)CCN1CCN(Cc2nnn(C)n2)CC1=O ZINC000649685217 545564183 /nfs/dbraw/zinc/56/41/83/545564183.db2.gz SLVQPDRGTNHIEY-UHFFFAOYSA-N 0 3 267.337 -1.584 20 0 CAADHN CN(C)CCN1CCN([C@H]2CCCNC2=O)CC1=O ZINC000649685554 545564195 /nfs/dbraw/zinc/56/41/95/545564195.db2.gz DLKDCAHIRPAXTE-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CN(C)CCN1CCN([C@H]2CCNC2=O)CC1=O ZINC000649687568 545564330 /nfs/dbraw/zinc/56/43/30/545564330.db2.gz WXFBROPNTBMCOC-JTQLQIEISA-N 0 3 254.334 -1.419 20 0 CAADHN CN(C)CCN1CCN(CC(=O)N2CCNC2=O)CC1=O ZINC000649688813 545564341 /nfs/dbraw/zinc/56/43/41/545564341.db2.gz PCNWMGUOSZMTTC-UHFFFAOYSA-N 0 3 297.359 -1.756 20 0 CAADHN CN(C)CCN1CCN(C[C@@H]2CCC(=O)N2)CC1=O ZINC000649685253 545564559 /nfs/dbraw/zinc/56/45/59/545564559.db2.gz ULXNODCMQMQKPY-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN COC[C@@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000649684805 545564643 /nfs/dbraw/zinc/56/46/43/545564643.db2.gz CNRBUQZPABTWSL-NSHDSACASA-N 0 3 259.350 -1.301 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](O)[C@H]2C)n1 ZINC000649502218 545564880 /nfs/dbraw/zinc/56/48/80/545564880.db2.gz TVNCJTZRONKRKC-NXEZZACHSA-N 0 3 296.375 -1.101 20 0 CAADHN COC[C@H]1C[C@@H](O)CN1C[C@@H](O)CN1CCOCC1 ZINC000649760825 545565160 /nfs/dbraw/zinc/56/51/60/545565160.db2.gz FINSHUHGBKQMSX-UPJWGTAASA-N 0 3 274.361 -1.239 20 0 CAADHN CN(C)CCN1CCN(CC(=O)NC2CC2)CC1=O ZINC000649689608 545565205 /nfs/dbraw/zinc/56/52/05/545565205.db2.gz UTSNAPQACIAURX-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN CN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CCCN(C)C1 ZINC000649768541 545565514 /nfs/dbraw/zinc/56/55/14/545565514.db2.gz FDXYJOHDLDAJGL-SECBINFHSA-N 0 3 280.332 -1.070 20 0 CAADHN CN1CC[C@H](N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1=O ZINC000564739957 545565545 /nfs/dbraw/zinc/56/55/45/545565545.db2.gz MNJRFZXZVJTXJV-GUBZILKMSA-N 0 3 252.318 -1.539 20 0 CAADHN CN(C)CCN1CCN(CCNS(C)(=O)=O)CC1=O ZINC000649688195 545565807 /nfs/dbraw/zinc/56/58/07/545565807.db2.gz UVHYOVOOITVJMK-UHFFFAOYSA-N 0 3 292.405 -1.759 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCOC[C@H]1CO ZINC000386101192 545567118 /nfs/dbraw/zinc/56/71/18/545567118.db2.gz JXJGHONOKWBNGL-VXGBXAGGSA-N 0 3 262.350 -1.381 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN2C[C@H](O)C[C@@H]2CO)C[C@@H](C)O1 ZINC000352023298 545568335 /nfs/dbraw/zinc/56/83/35/545568335.db2.gz WHHHZIMNAHADMY-KSTCHIGDSA-N 0 3 288.388 -1.116 20 0 CAADHN C[C@H](CO)N(CCN1C(=O)CN(C)C1=O)C[C@H](C)O ZINC000660382554 545568540 /nfs/dbraw/zinc/56/85/40/545568540.db2.gz RUUDEQXVRDJDSM-ZJUUUORDSA-N 0 3 273.333 -1.056 20 0 CAADHN O=C(CN1CCNCC1)NCCCn1ccnn1 ZINC000127079584 545569129 /nfs/dbraw/zinc/56/91/29/545569129.db2.gz MGPRAZYNSAGFNQ-UHFFFAOYSA-N 0 3 252.322 -1.310 20 0 CAADHN Cc1nn(CC(=O)NC[C@@](C)(O)CN(C)C)c(=O)n1C ZINC000654950541 545569538 /nfs/dbraw/zinc/56/95/38/545569538.db2.gz LQLQTSGVHPIMBY-GFCCVEGCSA-N 0 3 285.348 -1.681 20 0 CAADHN C[NH+](C)C1CC(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)C1 ZINC000670402143 545571276 /nfs/dbraw/zinc/57/12/76/545571276.db2.gz MPLXBVJSDTUISO-RRQHEKLDSA-N 0 3 254.290 -1.207 20 0 CAADHN CC(C(=O)NC[C@H]1CN2CCN1CCC2)S(C)(=O)=O ZINC000670409587 545571682 /nfs/dbraw/zinc/57/16/82/545571682.db2.gz PXNBPQUAXLBDAI-MNOVXSKESA-N 0 3 289.401 -1.074 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N1CCCOCC1 ZINC000360274023 545571697 /nfs/dbraw/zinc/57/16/97/545571697.db2.gz WCCNBKBPITWSTJ-UHFFFAOYSA-N 0 3 287.360 -1.070 20 0 CAADHN O[C@@H](COC[C@H]1CCCO1)CN1C[C@H](O)C[C@H](O)C1 ZINC000674464704 545572185 /nfs/dbraw/zinc/57/21/85/545572185.db2.gz JPKUKIAKRBEHRI-YVECIDJPSA-N 0 3 275.345 -1.030 20 0 CAADHN CN1CCN(C(=O)CCN2C[C@H](O)C[C@H](O)C2)CC1 ZINC000669930691 545556506 /nfs/dbraw/zinc/55/65/06/545556506.db2.gz NOGYHLZKKFLAGF-TXEJJXNPSA-N 0 3 271.361 -1.422 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000682087278 545557406 /nfs/dbraw/zinc/55/74/06/545557406.db2.gz NYOCNDALSHOSFH-LLVKDONJSA-N 0 3 296.371 -1.209 20 0 CAADHN O=C(C(=O)N1CCCNCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405332006 545559156 /nfs/dbraw/zinc/55/91/56/545559156.db2.gz ZXRPRQOCHWNTAJ-NWDGAFQWSA-N 0 3 296.371 -1.914 20 0 CAADHN CN1C[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CC1=O ZINC000405284849 545559257 /nfs/dbraw/zinc/55/92/57/545559257.db2.gz VLKPZENAZSXKNN-OUAUKWLOSA-N 0 3 267.329 -1.258 20 0 CAADHN O=C(N1CCC(CN2CCOCC2)CC1)C1(O)CNC1 ZINC000662683624 545576217 /nfs/dbraw/zinc/57/62/17/545576217.db2.gz UGZLPGAHRXUNAJ-UHFFFAOYSA-N 0 3 283.372 -1.109 20 0 CAADHN CN(C)[C@]1(CNC(=O)C2(O)CNC2)CCSC1 ZINC000662682304 545576400 /nfs/dbraw/zinc/57/64/00/545576400.db2.gz QXFSDDLLZWIOQL-JTQLQIEISA-N 0 3 259.375 -1.126 20 0 CAADHN CCN(CC)CC(=O)N1CCN(C(=O)C2(O)CNC2)CC1 ZINC000662715104 545577987 /nfs/dbraw/zinc/57/79/87/545577987.db2.gz FJJBCQBWCMZWDF-UHFFFAOYSA-N 0 3 298.387 -1.667 20 0 CAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1(O)CNC1 ZINC000662710748 545578507 /nfs/dbraw/zinc/57/85/07/545578507.db2.gz JIKGLUCOWLZLQX-LLVKDONJSA-N 0 3 298.387 -1.620 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C(C)(C)N)C[C@H]21 ZINC000662697379 545578527 /nfs/dbraw/zinc/57/85/27/545578527.db2.gz FXYLVDZFTCQDQN-YIZRAAEISA-N 0 3 276.358 -1.006 20 0 CAADHN Nc1nsc(N2CCN(C(=O)[C@H]3C[C@H]3N)CC2)n1 ZINC000424138981 545585079 /nfs/dbraw/zinc/58/50/79/545585079.db2.gz CUOCZHPGGDLYCH-NKWVEPMBSA-N 0 3 268.346 -0.884 20 0 CAADHN O=C(N1CCN(CC2CCOCC2)CC1)C1(O)CNC1 ZINC000662734161 545579757 /nfs/dbraw/zinc/57/97/57/545579757.db2.gz ZIIIZPKWJFYOPV-UHFFFAOYSA-N 0 3 283.372 -1.109 20 0 CAADHN O=C(N1CCN(C[C@H]2CCOC2)CC1)C1(O)CNC1 ZINC000662750597 545579774 /nfs/dbraw/zinc/57/97/74/545579774.db2.gz OQMFUYSTKLBLOM-LLVKDONJSA-N 0 3 269.345 -1.499 20 0 CAADHN N[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)CC[C@H]1F ZINC000662747834 545579942 /nfs/dbraw/zinc/57/99/42/545579942.db2.gz BWYXXANGYWZNRA-BWZBUEFSSA-N 0 3 265.310 -1.424 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662748770 545580174 /nfs/dbraw/zinc/58/01/74/545580174.db2.gz GDAVZLGZFGWOST-HTQZYQBOSA-N 0 3 267.326 -1.225 20 0 CAADHN O=C(N1CC[C@@H](CN2CCOCC2)C1)C1(O)CNC1 ZINC000662746828 545580216 /nfs/dbraw/zinc/58/02/16/545580216.db2.gz SLRRHKXKJRJMDC-NSHDSACASA-N 0 3 269.345 -1.499 20 0 CAADHN O=C(N1CCN(C[C@@H]2CCOC2)CC1)C1(O)CNC1 ZINC000662750599 545580273 /nfs/dbraw/zinc/58/02/73/545580273.db2.gz OQMFUYSTKLBLOM-NSHDSACASA-N 0 3 269.345 -1.499 20 0 CAADHN C[C@H](CNC(=O)CNS(=O)(=O)N(C)C)N(C)C ZINC000666243591 545585166 /nfs/dbraw/zinc/58/51/66/545585166.db2.gz KBWLQYNMVAHXJS-MRVPVSSYSA-N 0 3 266.367 -1.551 20 0 CAADHN CS(=O)(=O)NCCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662749768 545580430 /nfs/dbraw/zinc/58/04/30/545580430.db2.gz QBMNZOCTVKBRNS-HTQZYQBOSA-N 0 3 267.326 -1.177 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000662918313 545580845 /nfs/dbraw/zinc/58/08/45/545580845.db2.gz CCOVWNOJULOWJR-RUETXSTFSA-N 0 3 267.329 -1.081 20 0 CAADHN O=C(NC[C@@H]1CN2CCN1CCC2)C1(O)CNC1 ZINC000662909083 545581271 /nfs/dbraw/zinc/58/12/71/545581271.db2.gz YGNMIVSTSIQFFI-SNVBAGLBSA-N 0 3 254.334 -2.173 20 0 CAADHN O=C(CCOC1CNC1)NC[C@@H]1CN2CCN1CCC2 ZINC000662907874 545581656 /nfs/dbraw/zinc/58/16/56/545581656.db2.gz YDGRKFGINFMROW-GFCCVEGCSA-N 0 3 282.388 -1.129 20 0 CAADHN COC[C@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CCO1 ZINC000662938765 545582240 /nfs/dbraw/zinc/58/22/40/545582240.db2.gz YSEPKCMTFYMEKU-IQLKVPPVSA-N 0 3 297.355 -1.190 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CC(=O)N1C ZINC000662936302 545582587 /nfs/dbraw/zinc/58/25/87/545582587.db2.gz FICKUJKEPWVQHG-IPWFMCSPSA-N 0 3 294.355 -1.375 20 0 CAADHN CC1(C)CN(CCNS(C)(=O)=O)CCN1CCO ZINC000682032002 545584354 /nfs/dbraw/zinc/58/43/54/545584354.db2.gz AFNHNHISSGNPQN-UHFFFAOYSA-N 0 3 279.406 -1.076 20 0 CAADHN Nc1nsc(N2CCN(C(=O)COC3CNC3)CC2)n1 ZINC000431012570 545584774 /nfs/dbraw/zinc/58/47/74/545584774.db2.gz GGSZXBSPCPMGAX-UHFFFAOYSA-N 0 3 298.372 -1.243 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C[C@@H](O)CO)c1)N(C)C ZINC000666243522 545585824 /nfs/dbraw/zinc/58/58/24/545585824.db2.gz IETSCMYXBPVSGA-MWLCHTKSSA-N 0 3 270.333 -1.084 20 0 CAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N1 ZINC000667893631 545590977 /nfs/dbraw/zinc/59/09/77/545590977.db2.gz UWVYLWNLXZUIIF-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CCCCNC(=O)CNC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001275273343 782169028 /nfs/dbraw/zinc/16/90/28/782169028.db2.gz BRWCLYKCDFHBLV-VIFPVBQESA-N 0 3 297.363 -1.166 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)C1(C(N)=O)CC1)C(N)=O ZINC001275292165 782169551 /nfs/dbraw/zinc/16/95/51/782169551.db2.gz UNPHFSVPJFBAEI-NKWVEPMBSA-N 0 3 256.306 -1.780 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cnn(C)n1 ZINC001275368765 782170431 /nfs/dbraw/zinc/17/04/31/782170431.db2.gz AJUYFOAUWPPVSD-JGVFFNPUSA-N 0 3 294.315 -1.672 20 0 CAADHN COCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC(N)=O ZINC001275339642 782170472 /nfs/dbraw/zinc/17/04/72/782170472.db2.gz IPCQRXDMEKDQMZ-BQBZGAKWSA-N 0 3 260.294 -1.690 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001275415265 782171092 /nfs/dbraw/zinc/17/10/92/782171092.db2.gz OBDBOQCCAUZXJF-RQJHMYQMSA-N 0 3 259.310 -2.117 20 0 CAADHN Cc1nn(CC(=O)N[C@@H](C)CNCCF)c(=O)n1C ZINC001275428391 782171567 /nfs/dbraw/zinc/17/15/67/782171567.db2.gz SOFUAMKRKSFWEM-QMMMGPOBSA-N 0 3 273.312 -1.046 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001275435374 782171684 /nfs/dbraw/zinc/17/16/84/782171684.db2.gz OPUNRWGLGFRRKL-ZETCQYMHSA-N 0 3 267.289 -2.027 20 0 CAADHN CCCCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001275482962 782172584 /nfs/dbraw/zinc/17/25/84/782172584.db2.gz XLODYOBDTPUPOR-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN CCOCCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001275480477 782172630 /nfs/dbraw/zinc/17/26/30/782172630.db2.gz IATDGOFECISHAC-RKDXNWHRSA-N 0 3 288.348 -1.893 20 0 CAADHN C[C@@H](NCC(=O)NCC1CC1)[C@H](C)NC(=O)C(N)=O ZINC001275480773 782172823 /nfs/dbraw/zinc/17/28/23/782172823.db2.gz IYKFNDWANINFTR-SFYZADRCSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](NCC(=O)NCC1CCC1)[C@H](C)NC(=O)C(N)=O ZINC001275482447 782173177 /nfs/dbraw/zinc/17/31/77/782173177.db2.gz RQYMMQMYXAPGLA-BDAKNGLRSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](NCC(=O)NCC1CCC1)[C@@H](C)NC(=O)C(N)=O ZINC001275482450 782173248 /nfs/dbraw/zinc/17/32/48/782173248.db2.gz RQYMMQMYXAPGLA-RKDXNWHRSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](NCC(=O)NCC1CC1)[C@@H](C)NC(=O)C(N)=O ZINC001275480771 782173446 /nfs/dbraw/zinc/17/34/46/782173446.db2.gz IYKFNDWANINFTR-HTQZYQBOSA-N 0 3 270.333 -1.519 20 0 CAADHN CCn1cc(C(=O)N[C@H](C)[C@@H](C)NCC(N)=O)nn1 ZINC001275527191 782174082 /nfs/dbraw/zinc/17/40/82/782174082.db2.gz JDFYULVIQWYCIW-HTQZYQBOSA-N 0 3 268.321 -1.120 20 0 CAADHN C[C@H](NCCF)[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001275561529 782174182 /nfs/dbraw/zinc/17/41/82/782174182.db2.gz BNVQFADXVMGCJH-YUMQZZPRSA-N 0 3 274.296 -1.010 20 0 CAADHN CCn1cc(C(=O)N[C@H](C)[C@H](C)NCC(N)=O)nn1 ZINC001275527194 782174306 /nfs/dbraw/zinc/17/43/06/782174306.db2.gz JDFYULVIQWYCIW-JGVFFNPUSA-N 0 3 268.321 -1.120 20 0 CAADHN C[C@@H](NCCF)[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001275561526 782174666 /nfs/dbraw/zinc/17/46/66/782174666.db2.gz BNVQFADXVMGCJH-HTQZYQBOSA-N 0 3 274.296 -1.010 20 0 CAADHN C[C@@H](CN(C)C[C@@H]1CCc2ncnn21)NC(=O)C(N)=O ZINC001275639772 782175539 /nfs/dbraw/zinc/17/55/39/782175539.db2.gz YNSPZVPUAZUARZ-IUCAKERBSA-N 0 3 280.332 -1.313 20 0 CAADHN CN1C[C@H](NC(=O)c2c(CN)cnn2C)CC1=O ZINC000719188737 782175874 /nfs/dbraw/zinc/17/58/74/782175874.db2.gz CXPZHLQHGYWLKX-MRVPVSSYSA-N 0 3 251.290 -1.161 20 0 CAADHN CN1C[C@@H](NC(=O)c2c(CN)cnn2C)CC1=O ZINC000719188739 782176329 /nfs/dbraw/zinc/17/63/29/782176329.db2.gz CXPZHLQHGYWLKX-QMMMGPOBSA-N 0 3 251.290 -1.161 20 0 CAADHN C[C@H](CN(C)CC(N)=O)NC(=O)CCc1cnn[nH]1 ZINC001275659144 782178031 /nfs/dbraw/zinc/17/80/31/782178031.db2.gz MTOVBNMNABRNTD-MRVPVSSYSA-N 0 3 268.321 -1.341 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)CC(N)=O ZINC001275790736 782179554 /nfs/dbraw/zinc/17/95/54/782179554.db2.gz IYUHKNUOJYYCHS-DTWKUNHWSA-N 0 3 261.322 -1.694 20 0 CAADHN Cn1ncc(CN)c1C(=O)NC[C@@H]1COCCN1C ZINC000719202445 782178328 /nfs/dbraw/zinc/17/83/28/782178328.db2.gz AXIORHDENZWAES-SNVBAGLBSA-N 0 3 267.333 -1.061 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)CC(N)=O ZINC001275790740 782178854 /nfs/dbraw/zinc/17/88/54/782178854.db2.gz IYUHKNUOJYYCHS-RKDXNWHRSA-N 0 3 261.322 -1.694 20 0 CAADHN CNC(=S)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001275760748 782178931 /nfs/dbraw/zinc/17/89/31/782178931.db2.gz MNZLUXSTNNTZKE-UHFFFAOYSA-N 0 3 286.401 -1.035 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)CCOCCO ZINC001275794431 782179489 /nfs/dbraw/zinc/17/94/89/782179489.db2.gz ZZZDPUZRDNLLQO-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N(C)CCOCCO ZINC001275817509 782180419 /nfs/dbraw/zinc/18/04/19/782180419.db2.gz CITVMYMHPJOEBC-SNVBAGLBSA-N 0 3 285.348 -1.126 20 0 CAADHN C[C@H]1[C@@H](NC(=O)CN2CCNCC2=O)CCN1C ZINC000719445220 782180667 /nfs/dbraw/zinc/18/06/67/782180667.db2.gz VVBBXNAUMWYDBU-UWVGGRQHSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@@H]1[C@H](NC(=O)CN2CCNCC2=O)CCN1C ZINC000719445211 782180703 /nfs/dbraw/zinc/18/07/03/782180703.db2.gz VVBBXNAUMWYDBU-NXEZZACHSA-N 0 3 254.334 -1.373 20 0 CAADHN CN(C)C1(C(=O)N2CC(CNC(=O)C(N)=O)C2)CCC1 ZINC001297259047 782182041 /nfs/dbraw/zinc/18/20/41/782182041.db2.gz LGHXQRLWXDBRDR-UHFFFAOYSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)N(C)CCc1ccnn1C ZINC001275912974 782182717 /nfs/dbraw/zinc/18/27/17/782182717.db2.gz PADYJZRSLFYLBN-VIFPVBQESA-N 0 3 267.333 -1.116 20 0 CAADHN C[C@H](CNC(=O)c1nnc[nH]1)N(C)[C@H]1CCC(=O)NC1=O ZINC001275962795 782184617 /nfs/dbraw/zinc/18/46/17/782184617.db2.gz JRVVLSYRROPRCA-SFYZADRCSA-N 0 3 294.315 -1.340 20 0 CAADHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2S(N)(=O)=O ZINC001275945747 782183706 /nfs/dbraw/zinc/18/37/06/782183706.db2.gz LFDWIVXGOOSSDK-NXEZZACHSA-N 0 3 290.389 -1.183 20 0 CAADHN COC(=O)[C@@H](F)CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000891273762 582109478 /nfs/dbraw/zinc/10/94/78/582109478.db2.gz OLZZEEXUYAQLPD-GZMMTYOYSA-N 0 3 277.296 -1.137 20 0 CAADHN O=C(N[C@@H]1CNCCC1(F)F)[C@@H]1CCS(=O)(=O)N1 ZINC000846677954 582109559 /nfs/dbraw/zinc/10/95/59/582109559.db2.gz HAKGROQVAALAGO-NKWVEPMBSA-N 0 3 283.300 -1.209 20 0 CAADHN Cn1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3N)CC2=O)cn1 ZINC000643706999 582109671 /nfs/dbraw/zinc/10/96/71/582109671.db2.gz MKWOBMQNUDHOCX-ZJUUUORDSA-N 0 3 263.301 -1.058 20 0 CAADHN CN(C)CCN1CCN(S(N)(=O)=O)CC1=O ZINC000650359972 582109740 /nfs/dbraw/zinc/10/97/40/582109740.db2.gz JXSAWAGKQLDODW-UHFFFAOYSA-N 0 3 250.324 -2.104 20 0 CAADHN CN(C)CCN1CCN(C(=O)C(=O)NC2CC2)CC1=O ZINC000650359979 582109749 /nfs/dbraw/zinc/10/97/49/582109749.db2.gz KAZUQKVAXZSGLN-UHFFFAOYSA-N 0 3 282.344 -1.503 20 0 CAADHN CS(=O)(=O)N1CC[C@H](NC(=O)CN2CCNCC2)C1 ZINC000400308534 582109781 /nfs/dbraw/zinc/10/97/81/582109781.db2.gz WHWQUZOLLBHFTE-JTQLQIEISA-N 0 3 290.389 -1.958 20 0 CAADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCNC2=O)C1 ZINC000668498586 582110079 /nfs/dbraw/zinc/11/00/79/582110079.db2.gz TWAOYAJAYZBBNH-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CCNC2=O)C1 ZINC000668498587 582110122 /nfs/dbraw/zinc/11/01/22/582110122.db2.gz TWAOYAJAYZBBNH-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN1C[C@H](NC(=O)CN2CCNCC2)CC1=O ZINC000391595797 582110370 /nfs/dbraw/zinc/11/03/70/582110370.db2.gz CSHLLGSHRNTQQI-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN CN1C[C@H]2CCN(C(=O)NCCNS(C)(=O)=O)[C@@H]2C1 ZINC000891768041 582110458 /nfs/dbraw/zinc/11/04/58/582110458.db2.gz OPFBZQLTGZVBQV-NXEZZACHSA-N 0 3 290.389 -1.119 20 0 CAADHN CCN1CC[C@H](NC(=O)NC[C@H]2CNCCO2)C1=O ZINC000892181109 582111009 /nfs/dbraw/zinc/11/10/09/582111009.db2.gz SBKCYQCHKJVCNB-ZJUUUORDSA-N 0 3 270.333 -1.105 20 0 CAADHN C[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)CCS1(=O)=O ZINC000892177905 582111020 /nfs/dbraw/zinc/11/10/20/582111020.db2.gz AJKXKEPWIJLDAY-NXEZZACHSA-N 0 3 291.373 -1.197 20 0 CAADHN CCN1CC[C@@H](NC(=O)NC[C@H]2CNCCO2)C1=O ZINC000892181106 582111024 /nfs/dbraw/zinc/11/10/24/582111024.db2.gz SBKCYQCHKJVCNB-NXEZZACHSA-N 0 3 270.333 -1.105 20 0 CAADHN COC(=O)[C@@H](F)CNC(=O)NC[C@@H]1CNCCO1 ZINC000892190203 582111026 /nfs/dbraw/zinc/11/10/26/582111026.db2.gz WAGKPRYBIAGIDC-YUMQZZPRSA-N 0 3 263.269 -1.215 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)NC[C@H]3CNCCO3)C[C@H]2C1=O ZINC000892183605 582111034 /nfs/dbraw/zinc/11/10/34/582111034.db2.gz JQWAYFNZYKSDDO-BBBLOLIVSA-N 0 3 296.327 -1.769 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)N1CCCNC(=O)C1 ZINC000892184998 582111052 /nfs/dbraw/zinc/11/10/52/582111052.db2.gz YEHGJZCOFVNKMG-VIFPVBQESA-N 0 3 256.306 -1.494 20 0 CAADHN C[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)CCS1(=O)=O ZINC000892177908 582111062 /nfs/dbraw/zinc/11/10/62/582111062.db2.gz AJKXKEPWIJLDAY-ZJUUUORDSA-N 0 3 291.373 -1.197 20 0 CAADHN CCN1CC[C@@H](NC(=O)NC[C@@H]2CNCCO2)C1=O ZINC000892181108 582111073 /nfs/dbraw/zinc/11/10/73/582111073.db2.gz SBKCYQCHKJVCNB-VHSXEESVSA-N 0 3 270.333 -1.105 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@H]2CO)CC1=O ZINC000889139991 582111442 /nfs/dbraw/zinc/11/14/42/582111442.db2.gz HJHBYRYILHYLIJ-MNOVXSKESA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C)CCN(C)c1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000892777738 582112032 /nfs/dbraw/zinc/11/20/32/582112032.db2.gz RAMJMWLBHFZDFW-UHFFFAOYSA-N 0 3 280.332 -1.042 20 0 CAADHN O=C1NC[C@@H]2CN(c3ccncc3CO)CCN2C1=O ZINC000892847568 582112152 /nfs/dbraw/zinc/11/21/52/582112152.db2.gz OKTVOFBOERDYRZ-SNVBAGLBSA-N 0 3 276.296 -1.279 20 0 CAADHN NC[C@@H]1CC(C(=O)N2CCN(C3CC3)C(=O)C2)=NO1 ZINC000852842487 582112256 /nfs/dbraw/zinc/11/22/56/582112256.db2.gz WEMZEJDMBIPWDX-VIFPVBQESA-N 0 3 266.301 -1.077 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852813537 582112294 /nfs/dbraw/zinc/11/22/94/582112294.db2.gz HBEJZVHKSXRBLK-SSDOTTSWSA-N 0 3 278.334 -1.855 20 0 CAADHN COC[C@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852843261 582112297 /nfs/dbraw/zinc/11/22/97/582112297.db2.gz UQOOFGJBAHNRFM-RKDXNWHRSA-N 0 3 257.290 -1.036 20 0 CAADHN C[C@H]1CS(=O)(=O)CCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852842919 582112320 /nfs/dbraw/zinc/11/23/20/582112320.db2.gz LMKIYNZFJQLHGT-YUMQZZPRSA-N 0 3 275.330 -1.265 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CC[C@@H](O)[C@@H](O)C1 ZINC000867823005 582112521 /nfs/dbraw/zinc/11/25/21/582112521.db2.gz WDOXLBFOHSVGDM-ZJUUUORDSA-N 0 3 266.363 -1.305 20 0 CAADHN CN1C[C@H]2CCN(C(=O)NCCN3CCNC(=O)C3)[C@H]2C1 ZINC000894108527 582113215 /nfs/dbraw/zinc/11/32/15/582113215.db2.gz ZVIVQHZUJHQWGF-NEPJUHHUSA-N 0 3 295.387 -1.236 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000894334785 582113919 /nfs/dbraw/zinc/11/39/19/582113919.db2.gz GXOUWTBDHADVOY-VHSXEESVSA-N 0 3 290.389 -1.119 20 0 CAADHN NC(C(=O)N1CC[C@H](S(N)(=O)=O)C1)C(F)(F)F ZINC000519545520 582114140 /nfs/dbraw/zinc/11/41/40/582114140.db2.gz QZVXODDNJZSIKA-WHFBIAKZSA-N 0 3 275.252 -1.235 20 0 CAADHN CN(C)S(=O)(=O)N1CC(Nc2ccncc2CO)C1 ZINC000894810527 582114239 /nfs/dbraw/zinc/11/42/39/582114239.db2.gz PQTXVLVKKOITLM-UHFFFAOYSA-N 0 3 286.357 -1.102 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CCC(=O)N2CCOCC2)C[C@@H]1O ZINC000519567633 582114250 /nfs/dbraw/zinc/11/42/50/582114250.db2.gz RGVWTHRPOVTJFF-RYUDHWBXSA-N 0 3 299.371 -1.241 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1C[C@H]1CCN(C)C1=O ZINC000882163314 582114858 /nfs/dbraw/zinc/11/48/58/582114858.db2.gz PSNMATLGAODGAO-JGVFFNPUSA-N 0 3 275.330 -1.128 20 0 CAADHN CN1CCOC[C@]1(CO)CNC1CC(S(C)(=O)=O)C1 ZINC000896456933 582116006 /nfs/dbraw/zinc/11/60/06/582116006.db2.gz HGQLJLKKTNDWFQ-HTAVTVPLSA-N 0 3 292.401 -1.155 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)N2CC3(C2)NC(=O)NC3=O)CCN1C ZINC000896617014 582116179 /nfs/dbraw/zinc/11/61/79/582116179.db2.gz HIQRAWLSVJTCFI-SFYZADRCSA-N 0 3 281.316 -1.318 20 0 CAADHN CN1CC[C@](O)(CNC(=O)C2CN([C@H]3CCOC3)C2)C1 ZINC000897397995 582117291 /nfs/dbraw/zinc/11/72/91/582117291.db2.gz PLTBEPKVFJWJHE-JSGCOSHPSA-N 0 3 283.372 -1.110 20 0 CAADHN CN1CC[C@](O)(CNC(=O)C2CN([C@@H]3CCOC3)C2)C1 ZINC000897397996 582117311 /nfs/dbraw/zinc/11/73/11/582117311.db2.gz PLTBEPKVFJWJHE-OCCSQVGLSA-N 0 3 283.372 -1.110 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2cccn3nnnc23)C1 ZINC000897397600 582117337 /nfs/dbraw/zinc/11/73/37/582117337.db2.gz CSTNJLZCTFTQQK-GFCCVEGCSA-N 0 3 276.300 -1.079 20 0 CAADHN O=C(NC(CO)CO)C1CN(C2CCOCC2)C1 ZINC000897423190 582117541 /nfs/dbraw/zinc/11/75/41/582117541.db2.gz LSAHWJQJWLMFLF-UHFFFAOYSA-N 0 3 258.318 -1.433 20 0 CAADHN CNC(=O)CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000729506218 582118055 /nfs/dbraw/zinc/11/80/55/582118055.db2.gz OIZGAFDRVDKTEY-UWVGGRQHSA-N 0 3 270.333 -1.105 20 0 CAADHN CNC(=O)CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000729506220 582118100 /nfs/dbraw/zinc/11/81/00/582118100.db2.gz OIZGAFDRVDKTEY-ZJUUUORDSA-N 0 3 270.333 -1.105 20 0 CAADHN C[C@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)C[C@@H]1O ZINC000897685028 582118510 /nfs/dbraw/zinc/11/85/10/582118510.db2.gz ZCYUKYLHJZWNPU-WPRPVWTQSA-N 0 3 253.302 -1.103 20 0 CAADHN C[C@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1O ZINC000897685027 582118528 /nfs/dbraw/zinc/11/85/28/582118528.db2.gz ZCYUKYLHJZWNPU-WCBMZHEXSA-N 0 3 253.302 -1.103 20 0 CAADHN C[C@@H]1CN(Cc2cn(C)c(=O)n(C)c2=O)C[C@H]1O ZINC000897685025 582118545 /nfs/dbraw/zinc/11/85/45/582118545.db2.gz ZCYUKYLHJZWNPU-PSASIEDQSA-N 0 3 253.302 -1.103 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCN1CCNC1=O ZINC000898697022 582119902 /nfs/dbraw/zinc/11/99/02/582119902.db2.gz NKQWKQXGVVKFIP-UHFFFAOYSA-N 0 3 285.348 -1.852 20 0 CAADHN CN1C(=O)CN=C1NC(=O)C1CCCCS1(=O)=O ZINC000898774887 582120005 /nfs/dbraw/zinc/12/00/05/582120005.db2.gz MLZHHYWKIWYRBA-SSDOTTSWSA-N 0 3 273.314 -1.102 20 0 CAADHN CN1C(=O)CN=C1NC(=O)C1CCCS1(=O)=O ZINC000898770952 582120057 /nfs/dbraw/zinc/12/00/57/582120057.db2.gz BVWDBEZGJFCJAH-ZCFIWIBFSA-N 0 3 259.287 -1.492 20 0 CAADHN COC(=O)C1(O)CN(C(=O)C2CN(C3CCOCC3)C2)C1 ZINC000899183857 582120523 /nfs/dbraw/zinc/12/05/23/582120523.db2.gz ORTKGWLPMYZPDM-UHFFFAOYSA-N 0 3 298.339 -1.157 20 0 CAADHN O=C(N[C@H]1COC[C@H]1O)C1CN(C2CCOCC2)C1 ZINC000899157339 582120567 /nfs/dbraw/zinc/12/05/67/582120567.db2.gz IXAKKQNEEXCGNH-NWDGAFQWSA-N 0 3 270.329 -1.027 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)C1COC1 ZINC000645835170 582120958 /nfs/dbraw/zinc/12/09/58/582120958.db2.gz JUZIJNSKWTXXAW-VIFPVBQESA-N 0 3 291.373 -1.233 20 0 CAADHN O=C(NCCN1CCNC1=O)[C@H]1CN2CCN1CCC2 ZINC000899472427 582120975 /nfs/dbraw/zinc/12/09/75/582120975.db2.gz QUCRZRWADNWATH-LLVKDONJSA-N 0 3 281.360 -1.482 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)N(C)C ZINC000645834530 582121009 /nfs/dbraw/zinc/12/10/09/582121009.db2.gz QYFKXQUXQBTQNS-SECBINFHSA-N 0 3 278.378 -1.155 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(N)(=O)=O ZINC000645834730 582121025 /nfs/dbraw/zinc/12/10/25/582121025.db2.gz YSZCFKJNIRDFLV-ZETCQYMHSA-N 0 3 250.324 -1.758 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)C1COC1 ZINC000645835169 582121040 /nfs/dbraw/zinc/12/10/40/582121040.db2.gz JUZIJNSKWTXXAW-SECBINFHSA-N 0 3 291.373 -1.233 20 0 CAADHN CCO[C@H](CNC(=S)NCC(N)=O)CN(C)C ZINC000899565447 582121127 /nfs/dbraw/zinc/12/11/27/582121127.db2.gz FWYLUMXDXOVQJQ-MRVPVSSYSA-N 0 3 262.379 -1.098 20 0 CAADHN NC(=O)CNC(=S)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000899667148 582121132 /nfs/dbraw/zinc/12/11/32/582121132.db2.gz NVXZTEFYTBTLJN-NXEZZACHSA-N 0 3 286.401 -1.123 20 0 CAADHN NC(=O)CNC(=S)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000899667150 582121189 /nfs/dbraw/zinc/12/11/89/582121189.db2.gz NVXZTEFYTBTLJN-UWVGGRQHSA-N 0 3 286.401 -1.123 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NCCN(C)CCO ZINC000899731953 582121881 /nfs/dbraw/zinc/12/18/81/582121881.db2.gz RMQOLCYTQALEQP-QMMMGPOBSA-N 0 3 267.351 -2.036 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCCN(C)CCO ZINC000899731952 582121746 /nfs/dbraw/zinc/12/17/46/582121746.db2.gz RMQOLCYTQALEQP-MRVPVSSYSA-N 0 3 267.351 -2.036 20 0 CAADHN CN(CCO)CCNC(=O)C1=NN(C)C(=O)CC1 ZINC000899728510 582122051 /nfs/dbraw/zinc/12/20/51/582122051.db2.gz PSWCFHJCOZRTHY-UHFFFAOYSA-N 0 3 256.306 -1.365 20 0 CAADHN CCN1C[C@@H](C(=O)NCCN(C)CCO)CC1=O ZINC000899729316 582122092 /nfs/dbraw/zinc/12/20/92/582122092.db2.gz DSIAZXJJTCOCHO-JTQLQIEISA-N 0 3 257.334 -1.105 20 0 CAADHN COCCN1C[C@H](C(=O)NCCN(C)CCO)CC1=O ZINC000899729477 582122150 /nfs/dbraw/zinc/12/21/50/582122150.db2.gz HREDLYQDBIKFKG-LLVKDONJSA-N 0 3 287.360 -1.478 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000899729732 582122204 /nfs/dbraw/zinc/12/22/04/582122204.db2.gz NSVBJXMJYPXLLK-SNVBAGLBSA-N 0 3 257.334 -1.105 20 0 CAADHN CN(CCO)CCNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000899730464 582122218 /nfs/dbraw/zinc/12/22/18/582122218.db2.gz YKDZGNSGZNSHEX-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN CN(CCO)CCNC(=O)CN1CCN(C)C(=O)C1 ZINC000899737786 582122235 /nfs/dbraw/zinc/12/22/35/582122235.db2.gz QHQXFJOKGJJVJN-UHFFFAOYSA-N 0 3 272.349 -2.199 20 0 CAADHN CN(CCO)CCNC(=O)CN1CCCNC1=O ZINC000899731911 582122337 /nfs/dbraw/zinc/12/23/37/582122337.db2.gz PSIDJLMVDMVDBK-UHFFFAOYSA-N 0 3 258.322 -1.558 20 0 CAADHN CN(CCO)CCNC(=O)[C@](C)(O)Cn1ccccc1=O ZINC000899738388 582122402 /nfs/dbraw/zinc/12/24/02/582122402.db2.gz YWTKRMQAJLVXGC-CQSZACIVSA-N 0 3 297.355 -1.360 20 0 CAADHN CN(CCO)CCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000899729731 582122410 /nfs/dbraw/zinc/12/24/10/582122410.db2.gz NSVBJXMJYPXLLK-JTQLQIEISA-N 0 3 257.334 -1.105 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](C(=O)NCCN(C)CCO)O1 ZINC000899741900 582122460 /nfs/dbraw/zinc/12/24/60/582122460.db2.gz VTXZIXCBVDZKER-ZJUUUORDSA-N 0 3 274.317 -1.253 20 0 CAADHN CN(CCO)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000899733604 582122475 /nfs/dbraw/zinc/12/24/75/582122475.db2.gz FFDWSYSALASSRP-UHFFFAOYSA-N 0 3 284.316 -2.262 20 0 CAADHN CCN1CCN(CC(=O)NCCN(C)CCO)CC1 ZINC000899734350 582122481 /nfs/dbraw/zinc/12/24/81/582122481.db2.gz BETOBXVMRLRIQP-UHFFFAOYSA-N 0 3 272.393 -1.336 20 0 CAADHN CN(CCO)CCNC(=O)C1CN([C@H]2CCOC2)C1 ZINC000899741985 582122491 /nfs/dbraw/zinc/12/24/91/582122491.db2.gz YHFAKNXKQAUZGB-LBPRGKRZSA-N 0 3 271.361 -1.253 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000899741550 582122495 /nfs/dbraw/zinc/12/24/95/582122495.db2.gz XZQUASPGBOHRGF-VIFPVBQESA-N 0 3 279.362 -1.939 20 0 CAADHN CC[C@]1(C(=O)NCCN(C)CCO)CCNC1=O ZINC000899742210 582122519 /nfs/dbraw/zinc/12/25/19/582122519.db2.gz TWYXQYAZBADTEL-LBPRGKRZSA-N 0 3 257.334 -1.057 20 0 CAADHN COC(=O)c1cnn(CC(=O)NCCN(C)CCO)c1 ZINC000899741977 582122561 /nfs/dbraw/zinc/12/25/61/582122561.db2.gz YEUVXEKBTYJAAQ-UHFFFAOYSA-N 0 3 284.316 -1.290 20 0 CAADHN COC(=O)c1ccn(CC(=O)NCCN(C)CCO)n1 ZINC000899741546 582122565 /nfs/dbraw/zinc/12/25/65/582122565.db2.gz HNFOGJIZJRANRF-UHFFFAOYSA-N 0 3 284.316 -1.290 20 0 CAADHN C[C@@H](C(=O)NCCN(C)CCO)N1CCN(C)CC1 ZINC000899732590 582122594 /nfs/dbraw/zinc/12/25/94/582122594.db2.gz JTTANCWVLRDVBL-LBPRGKRZSA-N 0 3 272.393 -1.337 20 0 CAADHN CN(CCO)CCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000899741549 582122603 /nfs/dbraw/zinc/12/26/03/582122603.db2.gz XZQUASPGBOHRGF-SECBINFHSA-N 0 3 279.362 -1.939 20 0 CAADHN CN(CCO)CCNC(=O)C1(n2cnnn2)CC1 ZINC000899741903 582122611 /nfs/dbraw/zinc/12/26/11/582122611.db2.gz VWLRGLMVSXOGHV-UHFFFAOYSA-N 0 3 254.294 -1.798 20 0 CAADHN CN(CCO)CCNC(=O)C1CN([C@@H]2CCOC2)C1 ZINC000899741984 582122619 /nfs/dbraw/zinc/12/26/19/582122619.db2.gz YHFAKNXKQAUZGB-GFCCVEGCSA-N 0 3 271.361 -1.253 20 0 CAADHN C[C@H](C(=O)NCCN(C)CCO)N1CCN(C)CC1 ZINC000899732589 582122653 /nfs/dbraw/zinc/12/26/53/582122653.db2.gz JTTANCWVLRDVBL-GFCCVEGCSA-N 0 3 272.393 -1.337 20 0 CAADHN CC(=O)N1CSC[C@H]1C(=O)NCCN(C)CCO ZINC000899733239 582122662 /nfs/dbraw/zinc/12/26/62/582122662.db2.gz YJRXHLAMBNOLRL-JTQLQIEISA-N 0 3 275.374 -1.052 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCCN1CCCC1 ZINC000900010937 582123101 /nfs/dbraw/zinc/12/31/01/582123101.db2.gz FMNUJMNRYCWTDA-UHFFFAOYSA-N 0 3 254.334 -1.370 20 0 CAADHN COCCNCC(=O)NCCCN1CCCS1(=O)=O ZINC000645853661 582123134 /nfs/dbraw/zinc/12/31/34/582123134.db2.gz BRKGJUFPYSTBMQ-UHFFFAOYSA-N 0 3 293.389 -1.236 20 0 CAADHN Cc1nn(CC(=O)N2CCN(CCN(C)C)CC2)c(=O)o1 ZINC000900009868 582123139 /nfs/dbraw/zinc/12/31/39/582123139.db2.gz PAFUKDICNGYYRK-UHFFFAOYSA-N 0 3 297.359 -1.149 20 0 CAADHN CN1CCN(CCCNC(=O)[C@@H]2C[C@@H]2C(N)=O)CC1 ZINC000899991436 582123166 /nfs/dbraw/zinc/12/31/66/582123166.db2.gz MWRUDVTVGYUKAC-WDEREUQCSA-N 0 3 268.361 -1.139 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2OCCN(C)C2=O)CC1 ZINC000900010183 582123182 /nfs/dbraw/zinc/12/31/82/582123182.db2.gz ULFDHSNQKLLJTO-LBPRGKRZSA-N 0 3 298.387 -1.451 20 0 CAADHN CN1CCN(CCCNC(=O)[C@@H]2OCCN(C)C2=O)CC1 ZINC000899991564 582123195 /nfs/dbraw/zinc/12/31/95/582123195.db2.gz RLKZWSJXPCUCRL-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN CCOC(=O)NCC(=O)N1CCN(C)C[C@H]1CN ZINC000496231799 582123640 /nfs/dbraw/zinc/12/36/40/582123640.db2.gz ZPXOSPBBQOLPLV-SECBINFHSA-N 0 3 258.322 -1.166 20 0 CAADHN COC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000495321796 582123715 /nfs/dbraw/zinc/12/37/15/582123715.db2.gz IUAYMPJPKPCNGZ-GZMMTYOYSA-N 0 3 259.306 -1.086 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000760214747 582123903 /nfs/dbraw/zinc/12/39/03/582123903.db2.gz LNHKWAPQDJMSRW-VHSXEESVSA-N 0 3 270.333 -1.105 20 0 CAADHN COCCN1CC[C@@H](NC(=S)NCC(N)=O)C1 ZINC000730733180 582124207 /nfs/dbraw/zinc/12/42/07/582124207.db2.gz GVTSHRUVIUDHFV-MRVPVSSYSA-N 0 3 260.363 -1.344 20 0 CAADHN COCCNC(=O)CNC(=S)NCCN(C)C ZINC000732827944 582125810 /nfs/dbraw/zinc/12/58/10/582125810.db2.gz BVFVSNLZLHFXLB-UHFFFAOYSA-N 0 3 262.379 -1.225 20 0 CAADHN NCC(=O)NCC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000649321045 582126182 /nfs/dbraw/zinc/12/61/82/582126182.db2.gz JOGTUFOTXPWJRL-GHMZBOCLSA-N 0 3 284.360 -1.881 20 0 CAADHN NCC(=O)NCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321046 582126195 /nfs/dbraw/zinc/12/61/95/582126195.db2.gz JOGTUFOTXPWJRL-MNOVXSKESA-N 0 3 284.360 -1.881 20 0 CAADHN NCC(=O)NCC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000649321047 582126198 /nfs/dbraw/zinc/12/61/98/582126198.db2.gz JOGTUFOTXPWJRL-QWRGUYRKSA-N 0 3 284.360 -1.881 20 0 CAADHN CN(CCNC(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000735038485 582127999 /nfs/dbraw/zinc/12/79/99/582127999.db2.gz JANOYBMMCPQSLC-UHFFFAOYSA-N 0 3 280.328 -1.092 20 0 CAADHN CN1CCC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000735045265 582128092 /nfs/dbraw/zinc/12/80/92/582128092.db2.gz YBJSSNBYXSSFNX-SECBINFHSA-N 0 3 280.328 -1.092 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735053722 582128246 /nfs/dbraw/zinc/12/82/46/582128246.db2.gz JWHPLZSNKKPIQC-SECBINFHSA-N 0 3 280.328 -1.092 20 0 CAADHN CN(CCNC(=O)Cn1ccc(=O)[nH]c1=O)C1CC1 ZINC000067873091 582133320 /nfs/dbraw/zinc/13/33/20/582133320.db2.gz HVTMNQNKNKHWIV-UHFFFAOYSA-N 0 3 266.301 -1.253 20 0 CAADHN C[C@H](OC(=O)C1CCN(C)C1=O)C(=O)N1CCNC1=O ZINC000772504992 582133658 /nfs/dbraw/zinc/13/36/58/582133658.db2.gz AFNRTGWWNSAVGZ-YUMQZZPRSA-N 0 3 283.284 -1.052 20 0 CAADHN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N(C)CCN(C)C ZINC000839332698 582139868 /nfs/dbraw/zinc/13/98/68/582139868.db2.gz OANHQCLDSPRIBC-SNVBAGLBSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H]1CCCN1CCNC(=O)c1cn(CC(N)=O)nn1 ZINC000744345551 582141059 /nfs/dbraw/zinc/14/10/59/582141059.db2.gz PENODMBTDFANIZ-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN NC(=O)C1(NCCN2C(=O)CNC2=O)CCCC1 ZINC000750048511 582143033 /nfs/dbraw/zinc/14/30/33/582143033.db2.gz JXWWWNLWHKFECR-UHFFFAOYSA-N 0 3 254.290 -1.074 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000751462435 582143402 /nfs/dbraw/zinc/14/34/02/582143402.db2.gz DQPLVFHHQAMOTR-UWVGGRQHSA-N 0 3 291.373 -1.485 20 0 CAADHN CCCNC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000752889640 582143958 /nfs/dbraw/zinc/14/39/58/582143958.db2.gz ZKRLFDSEIVEFOA-SSDOTTSWSA-N 0 3 263.319 -1.080 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NC(N)=O ZINC000752885796 582144046 /nfs/dbraw/zinc/14/40/46/582144046.db2.gz UYCDRTZANVLHIE-BYPYZUCNSA-N 0 3 264.263 -2.411 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CCOCC1 ZINC000752877852 582144070 /nfs/dbraw/zinc/14/40/70/582144070.db2.gz FGAQAOQSAQKZNB-QMMMGPOBSA-N 0 3 291.329 -1.748 20 0 CAADHN CCNCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000754271526 582144616 /nfs/dbraw/zinc/14/46/16/582144616.db2.gz VBCTWJFZJYZRBG-UHFFFAOYSA-N 0 3 298.387 -1.401 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000762717111 582148251 /nfs/dbraw/zinc/14/82/51/582148251.db2.gz LRLJJZOMDIWDTD-ZDUSSCGKSA-N 0 3 296.327 -2.120 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000762717085 582148289 /nfs/dbraw/zinc/14/82/89/582148289.db2.gz LRLJJZOMDIWDTD-CYBMUJFWSA-N 0 3 296.327 -2.120 20 0 CAADHN O=C(NN1CCOCC1)[C@H]1CN2CCN1CCC2 ZINC000763530682 582148599 /nfs/dbraw/zinc/14/85/99/582148599.db2.gz KLQDTGZOWOCTEE-LLVKDONJSA-N 0 3 254.334 -1.260 20 0 CAADHN O=C(NN1CCOCC1)[C@@H]1CN2CCN1CCC2 ZINC000763530685 582148673 /nfs/dbraw/zinc/14/86/73/582148673.db2.gz KLQDTGZOWOCTEE-NSHDSACASA-N 0 3 254.334 -1.260 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CCCNC(=O)C1 ZINC000764094647 582148865 /nfs/dbraw/zinc/14/88/65/582148865.db2.gz PNLZYMRUZWFWJQ-LLVKDONJSA-N 0 3 266.345 -1.275 20 0 CAADHN Cn1cc([C@H](O)CNC(=O)[C@@H]2CN3CCN2CCC3)cn1 ZINC000764370240 582149302 /nfs/dbraw/zinc/14/93/02/582149302.db2.gz SOIXPWQNHIIZNU-QWHCGFSZSA-N 0 3 293.371 -1.040 20 0 CAADHN COC[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)C(N)=O ZINC000765288716 582149910 /nfs/dbraw/zinc/14/99/10/582149910.db2.gz UBBKENBLAIATCE-UWVGGRQHSA-N 0 3 270.333 -2.007 20 0 CAADHN COC[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)C(N)=O ZINC000765288715 582149936 /nfs/dbraw/zinc/14/99/36/582149936.db2.gz UBBKENBLAIATCE-NXEZZACHSA-N 0 3 270.333 -2.007 20 0 CAADHN C[C@@H](O)C(=O)N1CCN(C(=S)NCCN(C)C)CC1 ZINC000765515994 582150270 /nfs/dbraw/zinc/15/02/70/582150270.db2.gz GKESHESZFOUIPN-SNVBAGLBSA-N 0 3 288.417 -1.053 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000805425122 582152728 /nfs/dbraw/zinc/15/27/28/582152728.db2.gz JXQDGCPYGQYQLG-QMMMGPOBSA-N 0 3 268.317 -1.236 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)OC(=O)C1CCN(C)C1=O ZINC000772534059 582153512 /nfs/dbraw/zinc/15/35/12/582153512.db2.gz SCENPMHRZHLVLI-BQBZGAKWSA-N 0 3 271.273 -1.148 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000772534071 582153530 /nfs/dbraw/zinc/15/35/30/582153530.db2.gz SCENPMHRZHLVLI-RQJHMYQMSA-N 0 3 271.273 -1.148 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCOCC1 ZINC000774178058 582154562 /nfs/dbraw/zinc/15/45/62/582154562.db2.gz IPVUCBNBWKNDGS-VXGBXAGGSA-N 0 3 297.355 -1.175 20 0 CAADHN C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000774855072 582155014 /nfs/dbraw/zinc/15/50/14/582155014.db2.gz OPJDNDHCIPUNSF-JTQLQIEISA-N 0 3 296.371 -1.114 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1C[C@@H](O)C[C@H]1CO ZINC000776134832 582155489 /nfs/dbraw/zinc/15/54/89/582155489.db2.gz IXQVWHHDDCWZGR-ZDEQEGDKSA-N 0 3 299.371 -1.013 20 0 CAADHN CNC(=O)[C@H]1CN(C(=S)NCCN(C)C)CCO1 ZINC000781548684 582158266 /nfs/dbraw/zinc/15/82/66/582158266.db2.gz DUJDMNBAQZAQQD-SECBINFHSA-N 0 3 274.390 -1.131 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCn2ccnn2)CC1=O ZINC000782828792 582159252 /nfs/dbraw/zinc/15/92/52/582159252.db2.gz XMZLOZMIWHABMY-LLVKDONJSA-N 0 3 294.359 -1.196 20 0 CAADHN CNS(=O)(=O)CCNC(=S)NCCN(C)C ZINC000783954002 582159731 /nfs/dbraw/zinc/15/97/31/582159731.db2.gz QPXRTVWWWUQJES-UHFFFAOYSA-N 0 3 268.408 -1.439 20 0 CAADHN NC(=O)C1=NO[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000793902578 582164208 /nfs/dbraw/zinc/16/42/08/582164208.db2.gz MTRYUWGIUFWBAH-ONGXEEELSA-N 0 3 295.343 -1.877 20 0 CAADHN CC[C@H](O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000799308674 582167347 /nfs/dbraw/zinc/16/73/47/582167347.db2.gz BBGSFXNRMHVFFS-SDDRHHMPSA-N 0 3 292.401 -1.155 20 0 CAADHN CN1CCN(CCNC(=S)NCC(N)=O)CC1(C)C ZINC000799509243 582167416 /nfs/dbraw/zinc/16/74/16/582167416.db2.gz NXYHVBMOGMUDJZ-UHFFFAOYSA-N 0 3 287.433 -1.038 20 0 CAADHN CN(C)C1(C(=O)N2CC[C@@](O)(C(N)=O)C2)CCC1 ZINC000803163052 582168374 /nfs/dbraw/zinc/16/83/74/582168374.db2.gz MNFJLDLQFNXCOM-LBPRGKRZSA-N 0 3 255.318 -1.081 20 0 CAADHN CN(CCCO)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804055853 582168601 /nfs/dbraw/zinc/16/86/01/582168601.db2.gz OZHZQLDZMPIRPA-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(CCCO)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804055852 582168630 /nfs/dbraw/zinc/16/86/30/582168630.db2.gz OZHZQLDZMPIRPA-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(CCO)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804061228 582168636 /nfs/dbraw/zinc/16/86/36/582168636.db2.gz SUGBDCZRYUNIDV-MNOVXSKESA-N 0 3 285.344 -1.584 20 0 CAADHN C[C@H](O)CN(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804059933 582168642 /nfs/dbraw/zinc/16/86/42/582168642.db2.gz OOYZNLNERYRCAR-SDDRHHMPSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@H](O)CN(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804059935 582168646 /nfs/dbraw/zinc/16/86/46/582168646.db2.gz OOYZNLNERYRCAR-SRVKXCTJSA-N 0 3 299.371 -1.195 20 0 CAADHN CN(CCO)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804061230 582168653 /nfs/dbraw/zinc/16/86/53/582168653.db2.gz SUGBDCZRYUNIDV-WDEREUQCSA-N 0 3 285.344 -1.584 20 0 CAADHN CCN(CCO)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804054809 582168701 /nfs/dbraw/zinc/16/87/01/582168701.db2.gz BPFRIVWZTZVVRU-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@@H](CO)N(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804056234 582168710 /nfs/dbraw/zinc/16/87/10/582168710.db2.gz QSUQKLXFAPXYNM-SDDRHHMPSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@H](O)CN(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804059938 582168735 /nfs/dbraw/zinc/16/87/35/582168735.db2.gz OOYZNLNERYRCAR-TUAOUCFPSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@@H](CN(C)C)NC(=S)NCCNS(C)(=O)=O ZINC000806591189 582169216 /nfs/dbraw/zinc/16/92/16/582169216.db2.gz LIPHPPUBKWPZSS-QMMMGPOBSA-N 0 3 282.435 -1.050 20 0 CAADHN O=C(CN1CCOCC1)N[C@@H](CO)CN1CCCC1 ZINC000808220850 582170050 /nfs/dbraw/zinc/17/00/50/582170050.db2.gz BOCLNLBVOSPTGM-GFCCVEGCSA-N 0 3 271.361 -1.109 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@@H](CO)CN2CCCC2)C1=O ZINC000808220631 582170080 /nfs/dbraw/zinc/17/00/80/582170080.db2.gz KVNVLTBFKJIQOA-SNVBAGLBSA-N 0 3 298.343 -1.547 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CCC(=O)N1 ZINC000808219923 582170107 /nfs/dbraw/zinc/17/01/07/582170107.db2.gz UFRUGYGKKDKXNT-NXEZZACHSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](CO)CN1CCCC1 ZINC000808221305 582170113 /nfs/dbraw/zinc/17/01/13/582170113.db2.gz PJOHQTLBWOMFMU-SNVBAGLBSA-N 0 3 296.327 -1.478 20 0 CAADHN O=C(Cn1cnnn1)N[C@H](CO)CN1CCCC1 ZINC000808222063 582170119 /nfs/dbraw/zinc/17/01/19/582170119.db2.gz JMXSLJGMQDFHRO-VIFPVBQESA-N 0 3 254.294 -1.754 20 0 CAADHN O=C(CN1CCOCC1)N[C@H](CO)CN1CCCC1 ZINC000808220851 582170127 /nfs/dbraw/zinc/17/01/27/582170127.db2.gz BOCLNLBVOSPTGM-LBPRGKRZSA-N 0 3 271.361 -1.109 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H](CO)CN1CCCC1 ZINC000808220522 582170135 /nfs/dbraw/zinc/17/01/35/582170135.db2.gz IBNVAMLMJNYRCX-JTQLQIEISA-N 0 3 293.389 -1.501 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1CCC(=O)N1 ZINC000808219929 582170137 /nfs/dbraw/zinc/17/01/37/582170137.db2.gz UFRUGYGKKDKXNT-VHSXEESVSA-N 0 3 255.318 -1.162 20 0 CAADHN CN(C)CCNC(=S)NCCS(=O)(=O)N(C)C ZINC000811722119 582172027 /nfs/dbraw/zinc/17/20/27/582172027.db2.gz UXBYZMMORVKIPG-UHFFFAOYSA-N 0 3 282.435 -1.097 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000816618352 582174276 /nfs/dbraw/zinc/17/42/76/582174276.db2.gz VOOHPQOTZGUEGI-VHSXEESVSA-N 0 3 295.343 -1.199 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000816625909 582174294 /nfs/dbraw/zinc/17/42/94/582174294.db2.gz PWQCKZXOXHEESU-SECBINFHSA-N 0 3 259.306 -1.085 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000816618350 582174375 /nfs/dbraw/zinc/17/43/75/582174375.db2.gz VOOHPQOTZGUEGI-NXEZZACHSA-N 0 3 295.343 -1.199 20 0 CAADHN CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3C[C@@H]3N)CCN2C1=O ZINC000818157949 582175673 /nfs/dbraw/zinc/17/56/73/582175673.db2.gz AFJXMQNHCYOLHD-HRDYMLBCSA-N 0 3 266.301 -1.172 20 0 CAADHN CCNCC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000818436932 582175993 /nfs/dbraw/zinc/17/59/93/582175993.db2.gz CVEHDQSAAJEFDY-UHFFFAOYSA-N 0 3 279.362 -1.626 20 0 CAADHN CCNCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000818487549 582176149 /nfs/dbraw/zinc/17/61/49/582176149.db2.gz VTSYJYSCQZKLKH-UHFFFAOYSA-N 0 3 282.344 -1.455 20 0 CAADHN Cn1cc(C(=O)N2CCNCC2(C)C)c(=O)n(C)c1=O ZINC000818524429 582176265 /nfs/dbraw/zinc/17/62/65/582176265.db2.gz KQELVDFYDOBGKT-UHFFFAOYSA-N 0 3 280.328 -1.092 20 0 CAADHN CCNCC(=O)N(CCN1CCOCC1)CC(=O)OC ZINC000818608621 582176407 /nfs/dbraw/zinc/17/64/07/582176407.db2.gz JJONYGQQXMQXQN-UHFFFAOYSA-N 0 3 287.360 -1.070 20 0 CAADHN CN1CCN(C(=O)CCNCCS(C)(=O)=O)CC1 ZINC000819062090 582177123 /nfs/dbraw/zinc/17/71/23/582177123.db2.gz NDHNOAXJNYCETA-UHFFFAOYSA-N 0 3 277.390 -1.215 20 0 CAADHN CCNS(=O)(=O)CCNC[C@H](O)CN(C)C1CC1 ZINC000819044119 582177132 /nfs/dbraw/zinc/17/71/32/582177132.db2.gz ZWDMBAIWFZOEMW-NSHDSACASA-N 0 3 279.406 -1.030 20 0 CAADHN CCOCC[C@H](O)CNC[C@@H]1CC(C(N)=O)=NO1 ZINC000819253474 582177459 /nfs/dbraw/zinc/17/74/59/582177459.db2.gz OXMMDTTZTJZKCX-IUCAKERBSA-N 0 3 259.306 -1.006 20 0 CAADHN CCOCC[C@H](O)CNC[C@H]1CC(C(N)=O)=NO1 ZINC000819253472 582177489 /nfs/dbraw/zinc/17/74/89/582177489.db2.gz OXMMDTTZTJZKCX-DTWKUNHWSA-N 0 3 259.306 -1.006 20 0 CAADHN CCOCC[C@@H](O)CNC[C@@H]1CC(C(N)=O)=NO1 ZINC000819253468 582177493 /nfs/dbraw/zinc/17/74/93/582177493.db2.gz OXMMDTTZTJZKCX-BDAKNGLRSA-N 0 3 259.306 -1.006 20 0 CAADHN NC(=O)NC1(C(=O)N[C@H](CO)CN2CCCC2)CC1 ZINC000819836928 582178230 /nfs/dbraw/zinc/17/82/30/582178230.db2.gz FOZLZZFKNVLTTI-VIFPVBQESA-N 0 3 270.333 -1.240 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@H](CO)CN1CCCC1 ZINC000819837716 582178290 /nfs/dbraw/zinc/17/82/90/582178290.db2.gz QIYMNTMPTUUXPN-UWVGGRQHSA-N 0 3 293.389 -1.503 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1=NN(CCO)C(=O)CC1 ZINC000819825348 582178293 /nfs/dbraw/zinc/17/82/93/582178293.db2.gz RYENOPSRGTVGDG-VIFPVBQESA-N 0 3 286.332 -2.004 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](CO)CN1CCCC1 ZINC000819837718 582178295 /nfs/dbraw/zinc/17/82/95/582178295.db2.gz QIYMNTMPTUUXPN-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000822526996 582184256 /nfs/dbraw/zinc/18/42/56/582184256.db2.gz MKKVRWVXHGFTII-GMTAPVOTSA-N 0 3 287.360 -1.746 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H](CN(C)C)C(C)C ZINC000823306378 582185520 /nfs/dbraw/zinc/18/55/20/582185520.db2.gz SVWYFBXTPNSKNQ-SECBINFHSA-N 0 3 280.394 -1.257 20 0 CAADHN CN(C)CCN1CCN(C(=O)CN2CCOC2=O)CC1=O ZINC000824174948 582186607 /nfs/dbraw/zinc/18/66/07/582186607.db2.gz KAHPGWXQXNQILS-UHFFFAOYSA-N 0 3 298.343 -1.329 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC(=O)N1 ZINC000824733862 582187172 /nfs/dbraw/zinc/18/71/72/582187172.db2.gz RYXVIGPTNNUAJX-OPRDCNLKSA-N 0 3 253.302 -1.146 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@@H]1CC(=O)NC(=O)N1 ZINC000824740321 582187203 /nfs/dbraw/zinc/18/72/03/582187203.db2.gz DEDVUKKDBBUFHE-GUBZILKMSA-N 0 3 296.327 -1.436 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)NC1=O ZINC000824733891 582187239 /nfs/dbraw/zinc/18/72/39/582187239.db2.gz SPMNBPVGUZRIHU-HBNTYKKESA-N 0 3 282.344 -1.011 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC(=O)N(C)C ZINC000825566782 582188990 /nfs/dbraw/zinc/18/89/90/582188990.db2.gz OPZBPJKKOPPIGN-JTQLQIEISA-N 0 3 299.375 -1.164 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N(C)CCN(C)CCO)C1 ZINC000825526473 582189002 /nfs/dbraw/zinc/18/90/02/582189002.db2.gz HCLWHTCYZWMGGT-GFCCVEGCSA-N 0 3 287.360 -1.384 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)[C@@]1(F)CCNC1 ZINC000825628091 582189225 /nfs/dbraw/zinc/18/92/25/582189225.db2.gz VHFOGFXGUCXMMG-GFCCVEGCSA-N 0 3 272.324 -1.422 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000826998730 582191778 /nfs/dbraw/zinc/19/17/78/582191778.db2.gz IDUPJCDHNWXTGH-LBPRGKRZSA-N 0 3 272.324 -1.422 20 0 CAADHN CC(C)N1CCC[C@@H]1C(=O)N1CC(O)(C(N)=O)C1 ZINC000827358367 582192239 /nfs/dbraw/zinc/19/22/39/582192239.db2.gz DEWAXCFAINAIKO-SECBINFHSA-N 0 3 255.318 -1.082 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](O)[C@@H](O)C2)CC1=O ZINC000827598669 582193036 /nfs/dbraw/zinc/19/30/36/582193036.db2.gz HFYSWQBAVSCLTL-UTUOFQBUSA-N 0 3 299.371 -1.649 20 0 CAADHN O=C(CN1CCNCC1=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000827935838 582193601 /nfs/dbraw/zinc/19/36/01/582193601.db2.gz BHGDHCKHTYBBQH-RYUDHWBXSA-N 0 3 296.371 -1.602 20 0 CAADHN COC(=O)C[C@H](N)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000827936241 582193610 /nfs/dbraw/zinc/19/36/10/582193610.db2.gz HOEYZQFWZHQJKS-AXFHLTTASA-N 0 3 285.344 -1.144 20 0 CAADHN CC[C@H](N)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000827985596 582193945 /nfs/dbraw/zinc/19/39/45/582193945.db2.gz QQRUYTVLTJBBFK-VIFPVBQESA-N 0 3 279.362 -1.498 20 0 CAADHN CCNS(=O)(=O)CCNC(=O)[C@]1(F)CCNC1 ZINC000829085762 582196514 /nfs/dbraw/zinc/19/65/14/582196514.db2.gz CUVHRXOTZZTXCW-VIFPVBQESA-N 0 3 267.326 -1.257 20 0 CAADHN CC1(C(N)=O)CN(CCOCCN2CC(C)(C(N)=O)C2)C1 ZINC000829069924 582196579 /nfs/dbraw/zinc/19/65/79/582196579.db2.gz IUCQWBSRYPCZNB-UHFFFAOYSA-N 0 3 298.387 -1.383 20 0 CAADHN O=C(NCCN1C(=O)CNC1=O)[C@@]1(F)CCNC1 ZINC000829544860 582196887 /nfs/dbraw/zinc/19/68/87/582196887.db2.gz VNNWLEBJUSYMGJ-SNVBAGLBSA-N 0 3 258.253 -1.644 20 0 CAADHN O=C(NCCN1C(=O)CNC1=O)[C@]1(F)CCNC1 ZINC000829544856 582196906 /nfs/dbraw/zinc/19/69/06/582196906.db2.gz VNNWLEBJUSYMGJ-JTQLQIEISA-N 0 3 258.253 -1.644 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1CSCC(=O)N1 ZINC000829749226 582197099 /nfs/dbraw/zinc/19/70/99/582197099.db2.gz FVWHGNRIUCPAJG-QMMMGPOBSA-N 0 3 261.347 -1.742 20 0 CAADHN CN(CCO)CCNC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000829749609 582197152 /nfs/dbraw/zinc/19/71/52/582197152.db2.gz KQKUBHHCWPMHBT-LLVKDONJSA-N 0 3 293.389 -1.501 20 0 CAADHN CCOC(=O)C(=O)N1CCN(C(=O)CNC2CC2)CC1 ZINC000829839197 582197457 /nfs/dbraw/zinc/19/74/57/582197457.db2.gz UUJVPVAHHQRQLI-UHFFFAOYSA-N 0 3 283.328 -1.028 20 0 CAADHN CS(=O)(=O)CCOCCNC(=O)[C@]1(F)CCNC1 ZINC000830457015 582199008 /nfs/dbraw/zinc/19/90/08/582199008.db2.gz WKNLWYNKXYMOSZ-JTQLQIEISA-N 0 3 282.337 -1.135 20 0 CAADHN C[C@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)CN1 ZINC000831540099 582202445 /nfs/dbraw/zinc/20/24/45/582202445.db2.gz HZYOPHPLTIDGBW-IUCAKERBSA-N 0 3 280.328 -1.094 20 0 CAADHN C[C@@H]1CN[C@@H](C)CN1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000831540098 582202454 /nfs/dbraw/zinc/20/24/54/582202454.db2.gz HZYOPHPLTIDGBW-DTWKUNHWSA-N 0 3 280.328 -1.094 20 0 CAADHN CCO[C@@H](CNC(=O)[C@@H]1OCCN(C)C1=O)CN(C)C ZINC000831702474 582203165 /nfs/dbraw/zinc/20/31/65/582203165.db2.gz MFEBSMBTWMRICF-QWRGUYRKSA-N 0 3 287.360 -1.074 20 0 CAADHN CCO[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)CN(C)C ZINC000831708335 582203211 /nfs/dbraw/zinc/20/32/11/582203211.db2.gz RBIIBIBRAKFXHH-NXEZZACHSA-N 0 3 293.389 -1.239 20 0 CAADHN CCO[C@H](CNC(=O)CS(=O)(=O)N(C)C)CN(C)C ZINC000831730281 582203277 /nfs/dbraw/zinc/20/32/77/582203277.db2.gz ALFVJKARNKXYLQ-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN CCO[C@@H](CNC(=O)CN1CCOCC1=O)CN(C)C ZINC000831725350 582203414 /nfs/dbraw/zinc/20/34/14/582203414.db2.gz YZZCRTWTFMJDSF-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CCO[C@H](CNC(=O)Cn1cnnn1)CN(C)C ZINC000831772022 582203495 /nfs/dbraw/zinc/20/34/95/582203495.db2.gz SRBZLHXNFNEUNU-SECBINFHSA-N 0 3 256.310 -1.244 20 0 CAADHN NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@]1(F)CCNC1 ZINC000831927113 582203662 /nfs/dbraw/zinc/20/36/62/582203662.db2.gz FZMZIZPQDQZLEI-WCBMZHEXSA-N 0 3 279.337 -1.033 20 0 CAADHN NS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@]1(F)CCNC1 ZINC000831927114 582203699 /nfs/dbraw/zinc/20/36/99/582203699.db2.gz FZMZIZPQDQZLEI-WPRPVWTQSA-N 0 3 279.337 -1.033 20 0 CAADHN NS(=O)(=O)C[C@H]1CCCN1C(=O)[C@]1(F)CCNC1 ZINC000831927112 582203702 /nfs/dbraw/zinc/20/37/02/582203702.db2.gz FZMZIZPQDQZLEI-SCZZXKLOSA-N 0 3 279.337 -1.033 20 0 CAADHN NS(=O)(=O)CCCNC(=O)[C@@]1(F)CCNC1 ZINC000831870795 582203721 /nfs/dbraw/zinc/20/37/21/582203721.db2.gz FGIALHJJIRXXQI-MRVPVSSYSA-N 0 3 253.299 -1.517 20 0 CAADHN CNC(=O)[C@H](O)CNS(=O)(=O)CCCN1CCCC1 ZINC000867185283 582211814 /nfs/dbraw/zinc/21/18/14/582211814.db2.gz IAJNPNBXMBSEBK-SNVBAGLBSA-N 0 3 293.389 -1.501 20 0 CAADHN CNC(=O)[C@@H](O)CNS(=O)(=O)CCCN1CCCC1 ZINC000867185276 582211836 /nfs/dbraw/zinc/21/18/36/582211836.db2.gz IAJNPNBXMBSEBK-JTQLQIEISA-N 0 3 293.389 -1.501 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@H]2CCC=CO2)[C@H](CN)C1 ZINC000842025105 582212292 /nfs/dbraw/zinc/21/22/92/582212292.db2.gz SNEQZFPXGMYRCG-VXGBXAGGSA-N 0 3 296.371 -1.103 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1NC(=O)O[C@H]1C ZINC000841426484 582212311 /nfs/dbraw/zinc/21/23/11/582212311.db2.gz YFNVQWSVCWYZMU-DTWKUNHWSA-N 0 3 259.306 -1.086 20 0 CAADHN COC(=O)N1CCC[C@H](NC(=O)C(=O)NC2CNC2)C1 ZINC000842158968 582212595 /nfs/dbraw/zinc/21/25/95/582212595.db2.gz BECIGVMFSMKXOT-QMMMGPOBSA-N 0 3 284.316 -1.579 20 0 CAADHN O=C(NC[C@@H]1COC2(CCCC2)O1)C(=O)NC1CNC1 ZINC000842144632 582212597 /nfs/dbraw/zinc/21/25/97/582212597.db2.gz NSBRPVBUSPACPR-SNVBAGLBSA-N 0 3 283.328 -1.124 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843057659 582213406 /nfs/dbraw/zinc/21/34/06/582213406.db2.gz GUIQKBIQRVLPJA-AEJSXWLSSA-N 0 3 298.343 -1.251 20 0 CAADHN CON(C)C(=O)CCN[C@H](CO)CN1CCOCC1 ZINC000843111112 582213613 /nfs/dbraw/zinc/21/36/13/582213613.db2.gz CWMDPGDEWDVQGM-NSHDSACASA-N 0 3 275.349 -1.321 20 0 CAADHN CON(C)C(=O)CCN[C@@H]1CCCN(CCO)C1=O ZINC000843104761 582213617 /nfs/dbraw/zinc/21/36/17/582213617.db2.gz KRQATKVGNLIQQN-SNVBAGLBSA-N 0 3 273.333 -1.031 20 0 CAADHN CON(C)C(=O)CCNC[C@@H](O)CN1CCOCC1 ZINC000843061091 582213643 /nfs/dbraw/zinc/21/36/43/582213643.db2.gz ZKNUQGPDWNSYTN-LLVKDONJSA-N 0 3 275.349 -1.321 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](CNC(=O)[C@@]2(F)CCNC2)O1 ZINC000843449009 582214179 /nfs/dbraw/zinc/21/41/79/582214179.db2.gz GPLGCAWJKVIFPR-VHSKPIJISA-N 0 3 259.281 -1.163 20 0 CAADHN CCNCC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000843371608 582214197 /nfs/dbraw/zinc/21/41/97/582214197.db2.gz VANJHNGJDQGTLB-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN CC1(OCC(=O)NCCOCCS(C)(=O)=O)CNC1 ZINC000843444448 582214271 /nfs/dbraw/zinc/21/42/71/582214271.db2.gz SRKYDKYRKYFTEI-UHFFFAOYSA-N 0 3 294.373 -1.458 20 0 CAADHN CCNCC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000843390870 582214273 /nfs/dbraw/zinc/21/42/73/582214273.db2.gz IAVHBEHOMSRUPC-UHFFFAOYSA-N 0 3 296.371 -1.111 20 0 CAADHN CCNCC(=O)N1CCN(C(=O)C(=O)OCC)CC1 ZINC000843490788 582214781 /nfs/dbraw/zinc/21/47/81/582214781.db2.gz YBQODRCLMIOHTD-UHFFFAOYSA-N 0 3 271.317 -1.170 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)[C@]1(F)CCNC1 ZINC000843488921 582214789 /nfs/dbraw/zinc/21/47/89/582214789.db2.gz WOLYTONMOCUWHG-NSHDSACASA-N 0 3 275.280 -1.435 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1COC(=O)N1 ZINC000844040792 582215676 /nfs/dbraw/zinc/21/56/76/582215676.db2.gz WHUKCDAXPZHXDB-IUCAKERBSA-N 0 3 284.316 -1.327 20 0 CAADHN COC(=O)NCC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000844037712 582215710 /nfs/dbraw/zinc/21/57/10/582215710.db2.gz UTBSNHHOKIPJSS-SECBINFHSA-N 0 3 286.332 -1.079 20 0 CAADHN CCNCC(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000844175398 582216314 /nfs/dbraw/zinc/21/63/14/582216314.db2.gz DYDSLEKLOKUONJ-UHFFFAOYSA-N 0 3 292.405 -1.711 20 0 CAADHN CN(C)CCN1CCN(CN2CC(=O)N(C)C2=O)CC1=O ZINC000844714436 582217024 /nfs/dbraw/zinc/21/70/24/582217024.db2.gz MQYCVQWQPPOINQ-UHFFFAOYSA-N 0 3 297.359 -1.456 20 0 CAADHN CO[C@H]1CC(=O)N(CN2CCN(CCN(C)C)C(=O)C2)C1 ZINC000844715585 582217028 /nfs/dbraw/zinc/21/70/28/582217028.db2.gz ZZTVMUDBZSLSJO-LBPRGKRZSA-N 0 3 298.387 -1.103 20 0 CAADHN CC(CO)(CO)NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000844954701 582217251 /nfs/dbraw/zinc/21/72/51/582217251.db2.gz PUYFFEZSMQAFAY-WDEREUQCSA-N 0 3 287.360 -1.108 20 0 CAADHN CC(CO)(CO)NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000844954376 582217333 /nfs/dbraw/zinc/21/73/33/582217333.db2.gz PUYFFEZSMQAFAY-MNOVXSKESA-N 0 3 287.360 -1.108 20 0 CAADHN COCCONC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000845160634 582217467 /nfs/dbraw/zinc/21/74/67/582217467.db2.gz MKBVWZRWTGYVDZ-UHFFFAOYSA-N 0 3 288.348 -1.020 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)c1cn(C)nn1 ZINC000845313263 582217844 /nfs/dbraw/zinc/21/78/44/582217844.db2.gz UNCPOWFRUSHZCN-ZCFIWIBFSA-N 0 3 287.301 -1.595 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CCOC[C@H]1c1ccnn1C ZINC000846341977 582221376 /nfs/dbraw/zinc/22/13/76/582221376.db2.gz HENJXZVEIWRXHF-ONGXEEELSA-N 0 3 295.343 -1.217 20 0 CAADHN C[C@@H]1OC(=O)N[C@H]1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000846358129 582221485 /nfs/dbraw/zinc/22/14/85/582221485.db2.gz VXTWFAOOUMXQKP-GXSJLCMTSA-N 0 3 298.343 -1.284 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000846357027 582221503 /nfs/dbraw/zinc/22/15/03/582221503.db2.gz MWWJULCBHDWUCJ-UHFFFAOYSA-N 0 3 280.332 -1.041 20 0 CAADHN CON(C)C(=O)CNS(=O)(=O)CCCN(C)C ZINC000867421628 582221565 /nfs/dbraw/zinc/22/15/65/582221565.db2.gz XZYODKXJFXQRFL-UHFFFAOYSA-N 0 3 267.351 -1.123 20 0 CAADHN O=C1C[C@H](NCCN2CCOCC2)C(=O)N1CCCO ZINC000846701543 582222974 /nfs/dbraw/zinc/22/29/74/582222974.db2.gz CCOXKIKDNUXAQA-NSHDSACASA-N 0 3 285.344 -1.582 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](NC(=O)[C@]2(F)CCNC2)C1 ZINC000846689726 582223002 /nfs/dbraw/zinc/22/30/02/582223002.db2.gz CWHFPEDSZLTOHK-SCZZXKLOSA-N 0 3 279.337 -1.162 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](NC(=O)[C@@]2(F)CCNC2)C1 ZINC000846689725 582223043 /nfs/dbraw/zinc/22/30/43/582223043.db2.gz CWHFPEDSZLTOHK-PSASIEDQSA-N 0 3 279.337 -1.162 20 0 CAADHN NC(=O)[N-]C(=O)OCCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000847042384 582223693 /nfs/dbraw/zinc/22/36/93/582223693.db2.gz HVNSKYLOTMNXTP-VHSXEESVSA-N 0 3 286.332 -1.068 20 0 CAADHN NC(=O)[N-]C(=O)OCCCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000847042384 582223694 /nfs/dbraw/zinc/22/36/94/582223694.db2.gz HVNSKYLOTMNXTP-VHSXEESVSA-N 0 3 286.332 -1.068 20 0 CAADHN O=C1CC[C@@H](N2CCN3C[C@H](O)C[C@H]3C2)C(=O)N1 ZINC000847042596 582223708 /nfs/dbraw/zinc/22/37/08/582223708.db2.gz CMJHUMSTLFUGBE-IVZWLZJFSA-N 0 3 253.302 -1.458 20 0 CAADHN O=C(NC[C@@H]1COCCO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847293659 582224084 /nfs/dbraw/zinc/22/40/84/582224084.db2.gz PDTNKSLEJQJVNH-QJPTWQEYSA-N 0 3 285.344 -1.138 20 0 CAADHN C[C@H]1OC(=O)N[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848305854 582226282 /nfs/dbraw/zinc/22/62/82/582226282.db2.gz ITCIXWYJLMTJHH-UTINFBMNSA-N 0 3 269.301 -1.239 20 0 CAADHN O=C(CCN1CCOCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848307280 582226299 /nfs/dbraw/zinc/22/62/99/582226299.db2.gz FOKNQHSPVYDTBJ-QWHCGFSZSA-N 0 3 283.372 -1.014 20 0 CAADHN Cn1cc(C(=O)N[C@H](CN)C(F)(F)F)c(=O)n(C)c1=O ZINC000848438634 582226386 /nfs/dbraw/zinc/22/63/86/582226386.db2.gz KPHIQIVRISSQLP-ZCFIWIBFSA-N 0 3 294.233 -1.297 20 0 CAADHN CCOC(=O)C(=O)N1CCN(C(=O)[C@H](C)NC)CC1 ZINC000848425785 582226453 /nfs/dbraw/zinc/22/64/53/582226453.db2.gz AZMYMUNOQMEFPT-VIFPVBQESA-N 0 3 271.317 -1.172 20 0 CAADHN COC[C@H](NC(=O)N[C@@H](CN)C(F)(F)F)C(N)=O ZINC000848597847 582226591 /nfs/dbraw/zinc/22/65/91/582226591.db2.gz DQJHRNUZSXQOQJ-WHFBIAKZSA-N 0 3 272.227 -1.325 20 0 CAADHN NC[C@@H](NC(=O)NC[C@@H]1CC(C(N)=O)=NO1)C(F)(F)F ZINC000848599307 582226613 /nfs/dbraw/zinc/22/66/13/582226613.db2.gz YGQKSTMVBNAQLW-UJURSFKZSA-N 0 3 297.237 -1.195 20 0 CAADHN NC[C@H](NC(=O)NC[C@@H]1CC(C(N)=O)=NO1)C(F)(F)F ZINC000848599306 582226616 /nfs/dbraw/zinc/22/66/16/582226616.db2.gz YGQKSTMVBNAQLW-NJGYIYPDSA-N 0 3 297.237 -1.195 20 0 CAADHN CC1=C([O-])N(C)S(=O)(=O)N1C[C@@H]1C[NH2+]CCO1 ZINC000849240687 582227644 /nfs/dbraw/zinc/22/76/44/582227644.db2.gz SFMZZSWVJQSFQH-YUMQZZPRSA-N 0 3 263.319 -1.618 20 0 CAADHN CC1=C([O-])N(C)S(=O)(=O)N1C[C@H]1C[NH2+]CCO1 ZINC000849240684 582227648 /nfs/dbraw/zinc/22/76/48/582227648.db2.gz SFMZZSWVJQSFQH-HTQZYQBOSA-N 0 3 263.319 -1.618 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC[C@@H]1CCNC1=O ZINC000849895613 582228065 /nfs/dbraw/zinc/22/80/65/582228065.db2.gz KULKSQWDGJHACK-YUMQZZPRSA-N 0 3 275.330 -1.080 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC[C@@H]1CCNC1=O ZINC000849895611 582228096 /nfs/dbraw/zinc/22/80/96/582228096.db2.gz KULKSQWDGJHACK-SFYZADRCSA-N 0 3 275.330 -1.080 20 0 CAADHN CC(C)NCC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000851627279 582228827 /nfs/dbraw/zinc/22/88/27/582228827.db2.gz KNTLITLEFPHYTJ-UHFFFAOYSA-N 0 3 293.389 -1.237 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](F)[C@H](N)C2)c(=O)n(C)c1=O ZINC000851648295 582228877 /nfs/dbraw/zinc/22/88/77/582228877.db2.gz AUNIJOUXVORXSH-RKDXNWHRSA-N 0 3 284.291 -1.405 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)N[C@@H](C)CN)C[C@H]21 ZINC000851664240 582228936 /nfs/dbraw/zinc/22/89/36/582228936.db2.gz UTWNILUPPNYADN-QEYWKRMJSA-N 0 3 291.373 -1.213 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H](C)CN ZINC000851663337 582228945 /nfs/dbraw/zinc/22/89/45/582228945.db2.gz BFGGSLUBOVKOJA-XLPZGREQSA-N 0 3 265.335 -1.555 20 0 CAADHN COC(=O)N(C)CCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000851676296 582228987 /nfs/dbraw/zinc/22/89/87/582228987.db2.gz YLBRXBLSJRSRHA-JTQLQIEISA-N 0 3 287.364 -1.031 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000851688468 582228992 /nfs/dbraw/zinc/22/89/92/582228992.db2.gz BFNWDTJIKTXALQ-LPEHRKFASA-N 0 3 255.318 -1.055 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H](C)CN ZINC000851663335 582229013 /nfs/dbraw/zinc/22/90/13/582229013.db2.gz BFGGSLUBOVKOJA-FXQIFTODSA-N 0 3 265.335 -1.555 20 0 CAADHN COC(=O)N(C)CCNC(=O)C(=O)NC1CNC1 ZINC000851688410 582229017 /nfs/dbraw/zinc/22/90/17/582229017.db2.gz ZNCBLOZOMXLBDP-UHFFFAOYSA-N 0 3 258.278 -2.111 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000851688453 582229187 /nfs/dbraw/zinc/22/91/87/582229187.db2.gz AQCQABXZCGDGOY-NKWVEPMBSA-N 0 3 265.260 -1.010 20 0 CAADHN Cn1ccc(CNC(=O)C(=O)N2CC3CC2(CN)C3)n1 ZINC000851687264 582229204 /nfs/dbraw/zinc/22/92/04/582229204.db2.gz PBLGPZPKKWKIIV-UHFFFAOYSA-N 0 3 277.328 -1.014 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCC(N2CCOC2=O)CC1 ZINC000851688395 582229210 /nfs/dbraw/zinc/22/92/10/582229210.db2.gz YZHHBWAFHAMSTJ-UHFFFAOYSA-N 0 3 296.327 -1.482 20 0 CAADHN NCCN(CCO)C(=O)C(=O)NCCc1ccoc1 ZINC000851689673 582229315 /nfs/dbraw/zinc/22/93/15/582229315.db2.gz PWCWJFWZKRKLRC-UHFFFAOYSA-N 0 3 269.301 -1.282 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000851688467 582229336 /nfs/dbraw/zinc/22/93/36/582229336.db2.gz BFNWDTJIKTXALQ-IVZWLZJFSA-N 0 3 255.318 -1.055 20 0 CAADHN C[C@H]1CCC[C@H](CNC(=O)C(=O)N(CCN)CCO)O1 ZINC000851690010 582229376 /nfs/dbraw/zinc/22/93/76/582229376.db2.gz UNQBYXINNLCIDJ-WDEREUQCSA-N 0 3 287.360 -1.160 20 0 CAADHN COC(=O)N(C)CCNC(=O)C(=O)N[C@@H](C)CN ZINC000851688967 582229399 /nfs/dbraw/zinc/22/93/99/582229399.db2.gz IFMKFAMMXVFBCF-ZETCQYMHSA-N 0 3 260.294 -1.736 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000851689952 582229455 /nfs/dbraw/zinc/22/94/55/582229455.db2.gz XBTLQLZHUATISA-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN NC(=O)[C@](O)(CN1C[C@@H](O)[C@@H](O)C1)c1ccccc1 ZINC000851798810 582229707 /nfs/dbraw/zinc/22/97/07/582229707.db2.gz OCLAMYAGLYUSKM-LOWVWBTDSA-N 0 3 266.297 -1.603 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)C1=NO[C@H](CN)C1 ZINC000852795696 582230574 /nfs/dbraw/zinc/23/05/74/582230574.db2.gz ZLSYFZQCTVXUPN-VIFPVBQESA-N 0 3 283.332 -2.020 20 0 CAADHN CC(=O)N1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852789727 582230626 /nfs/dbraw/zinc/23/06/26/582230626.db2.gz LLPOFLZUWXVTMP-VIFPVBQESA-N 0 3 254.290 -1.219 20 0 CAADHN CCS(=O)(=O)CCN(CCN)C[C@H](O)CO ZINC000852753861 582230645 /nfs/dbraw/zinc/23/06/45/582230645.db2.gz UPWHZNDSYJOUFE-VIFPVBQESA-N 0 3 254.352 -1.965 20 0 CAADHN NC[C@@H]1CC(C(=O)N[C@@H]2CCCCNC2=O)=NO1 ZINC000852810110 582230728 /nfs/dbraw/zinc/23/07/28/582230728.db2.gz RABXRQWGQOMRMP-JGVFFNPUSA-N 0 3 254.290 -1.125 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852806839 582230732 /nfs/dbraw/zinc/23/07/32/582230732.db2.gz MSWIUZASLGYOQU-VIFPVBQESA-N 0 3 286.332 -1.299 20 0 CAADHN CC(C)C(=O)NCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852804229 582230743 /nfs/dbraw/zinc/23/07/43/582230743.db2.gz XVKJSJVVXAPMKA-QMMMGPOBSA-N 0 3 256.306 -1.022 20 0 CAADHN CS(=O)(=O)NCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852812835 582230790 /nfs/dbraw/zinc/23/07/90/582230790.db2.gz GPPHACSWPBXABG-ZETCQYMHSA-N 0 3 278.334 -1.855 20 0 CAADHN NC[C@H]1CC(C(=O)NCCNC(=O)C2CC2)=NO1 ZINC000852803440 582230801 /nfs/dbraw/zinc/23/08/01/582230801.db2.gz IJJUTXRZEJUANJ-MRVPVSSYSA-N 0 3 254.290 -1.268 20 0 CAADHN NC[C@H]1CC(C(=O)N[C@H]2CCCCNC2=O)=NO1 ZINC000852810112 582230805 /nfs/dbraw/zinc/23/08/05/582230805.db2.gz RABXRQWGQOMRMP-SFYZADRCSA-N 0 3 254.290 -1.125 20 0 CAADHN COCC(=O)N1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852809374 582230892 /nfs/dbraw/zinc/23/08/92/582230892.db2.gz DLFGAWRAPQBQLS-VIFPVBQESA-N 0 3 284.316 -1.593 20 0 CAADHN CN(CCCNC(=O)C1=NO[C@@H](CN)C1)S(C)(=O)=O ZINC000852812834 582230896 /nfs/dbraw/zinc/23/08/96/582230896.db2.gz CNESRWJZOGCEQP-MRVPVSSYSA-N 0 3 292.361 -1.512 20 0 CAADHN CC(C)(CNC(=O)C1=NO[C@H](CN)C1)NS(C)(=O)=O ZINC000852839032 582230940 /nfs/dbraw/zinc/23/09/40/582230940.db2.gz UZAIFGBOAHQVQH-ZETCQYMHSA-N 0 3 292.361 -1.466 20 0 CAADHN CN1CCC[C@H](NC(=O)C2=NO[C@@H](CN)C2)C1=O ZINC000852841540 582230947 /nfs/dbraw/zinc/23/09/47/582230947.db2.gz LZYYQELVHKQWKL-SFYZADRCSA-N 0 3 254.290 -1.173 20 0 CAADHN NC[C@@H]1CC(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)=NO1 ZINC000852841762 582230954 /nfs/dbraw/zinc/23/09/54/582230954.db2.gz PBKSALOEYPHHEM-CBAPKCEASA-N 0 3 266.301 -1.031 20 0 CAADHN CN1CCC[C@@H](NC(=O)C2=NO[C@@H](CN)C2)C1=O ZINC000852841538 582230993 /nfs/dbraw/zinc/23/09/93/582230993.db2.gz LZYYQELVHKQWKL-HTQZYQBOSA-N 0 3 254.290 -1.173 20 0 CAADHN NC[C@@H]1CC(C(=O)NCCN2CCCS2(=O)=O)=NO1 ZINC000852826008 582231026 /nfs/dbraw/zinc/23/10/26/582231026.db2.gz YMUHBCHOIVHOKR-QMMMGPOBSA-N 0 3 290.345 -1.758 20 0 CAADHN CC[C@@H]1C(=O)NCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852834803 582231032 /nfs/dbraw/zinc/23/10/32/582231032.db2.gz YEGSJBRKPKFHBV-IONNQARKSA-N 0 3 254.290 -1.173 20 0 CAADHN COC[C@@](C)(NC(=O)C1=NO[C@@H](CN)C1)C(=O)OC ZINC000852851733 582231190 /nfs/dbraw/zinc/23/11/90/582231190.db2.gz VUIRYURCTZDSIX-RDDDGLTNSA-N 0 3 273.289 -1.216 20 0 CAADHN CNC(=O)[C@@H](C)CN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852852080 582231215 /nfs/dbraw/zinc/23/12/15/582231215.db2.gz NPBUMGXMEKRZKQ-JGVFFNPUSA-N 0 3 256.306 -1.070 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852843436 582231235 /nfs/dbraw/zinc/23/12/35/582231235.db2.gz XVXKNANNNNGOKC-SFYZADRCSA-N 0 3 290.345 -1.760 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852843434 582231243 /nfs/dbraw/zinc/23/12/43/582231243.db2.gz XVXKNANNNNGOKC-HTQZYQBOSA-N 0 3 290.345 -1.760 20 0 CAADHN NC[C@@H]1CC(C(=O)NCc2nnnn2C2CC2)=NO1 ZINC000852848663 582231249 /nfs/dbraw/zinc/23/12/49/582231249.db2.gz OWIDWJSTXIDJHS-ZETCQYMHSA-N 0 3 265.277 -1.272 20 0 CAADHN COC[C@](C)(NC(=O)C1=NO[C@H](CN)C1)C(=O)OC ZINC000852851631 582231252 /nfs/dbraw/zinc/23/12/52/582231252.db2.gz VUIRYURCTZDSIX-CPCISQLKSA-N 0 3 273.289 -1.216 20 0 CAADHN CC(C)N1C(=O)C[C@H](NC(=O)C2=NO[C@H](CN)C2)C1=O ZINC000852852472 582231256 /nfs/dbraw/zinc/23/12/56/582231256.db2.gz YVCRRJRSGLIZGG-CBAPKCEASA-N 0 3 282.300 -1.258 20 0 CAADHN CC(C)N1C(=O)C[C@H](NC(=O)C2=NO[C@@H](CN)C2)C1=O ZINC000852852471 582231260 /nfs/dbraw/zinc/23/12/60/582231260.db2.gz YVCRRJRSGLIZGG-APPZFPTMSA-N 0 3 282.300 -1.258 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852865807 582231410 /nfs/dbraw/zinc/23/14/10/582231410.db2.gz POFBKYZYLAMREX-VHSXEESVSA-N 0 3 270.333 -1.073 20 0 CAADHN C[C@@H]1CN(CCNC(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852863729 582231426 /nfs/dbraw/zinc/23/14/26/582231426.db2.gz RLBZNEQHJFPSSL-ZJUUUORDSA-N 0 3 270.333 -1.073 20 0 CAADHN CC(C)(C(N)=O)N1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852869807 582231472 /nfs/dbraw/zinc/23/14/72/582231472.db2.gz MDHMNQHJZFIALV-VIFPVBQESA-N 0 3 297.359 -1.502 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852865808 582231492 /nfs/dbraw/zinc/23/14/92/582231492.db2.gz POFBKYZYLAMREX-ZJUUUORDSA-N 0 3 270.333 -1.073 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852858326 582231499 /nfs/dbraw/zinc/23/14/99/582231499.db2.gz YMNJYBMZEXXGIQ-JTQLQIEISA-N 0 3 297.359 -1.630 20 0 CAADHN COCCN1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852857018 582231529 /nfs/dbraw/zinc/23/15/29/582231529.db2.gz IRMUNKKPBVTXRW-SNVBAGLBSA-N 0 3 270.333 -1.119 20 0 CAADHN COCCN(C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852863460 582231546 /nfs/dbraw/zinc/23/15/46/582231546.db2.gz GDRYNLGGVSUIGH-SECBINFHSA-N 0 3 258.322 -1.216 20 0 CAADHN CCN1CCN(CCNC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852873298 582231549 /nfs/dbraw/zinc/23/15/49/582231549.db2.gz REXWTDYRRZZAMB-LLVKDONJSA-N 0 3 283.376 -1.156 20 0 CAADHN COCCN1CC[C@H](NC(=O)C2=NO[C@@H](CN)C2)C1 ZINC000852867529 582231590 /nfs/dbraw/zinc/23/15/90/582231590.db2.gz XCBNDOJSCVXVPT-VHSXEESVSA-N 0 3 270.333 -1.073 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(O)CNC1 ZINC000852863648 582231602 /nfs/dbraw/zinc/23/16/02/582231602.db2.gz HVKCWANUUIIPAC-NXEZZACHSA-N 0 3 255.318 -1.700 20 0 CAADHN NC[C@@H]1CC(C(=O)N2CCN(CCO)CC2)=NO1 ZINC000852880018 582231712 /nfs/dbraw/zinc/23/17/12/582231712.db2.gz JFHLJBLRSFFFFC-VIFPVBQESA-N 0 3 256.306 -1.774 20 0 CAADHN Cn1ccnc1[C@@H]1CNCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852877982 582231749 /nfs/dbraw/zinc/23/17/49/582231749.db2.gz KSTGTBXMNWNSMW-ONGXEEELSA-N 0 3 292.343 -1.003 20 0 CAADHN NC[C@@H]1CC(C(=O)N2CCC[C@@H](C(N)=O)C2)=NO1 ZINC000852882684 582231817 /nfs/dbraw/zinc/23/18/17/582231817.db2.gz OBPLFCXZFXMDAE-SFYZADRCSA-N 0 3 254.290 -1.186 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852882250 582231826 /nfs/dbraw/zinc/23/18/26/582231826.db2.gz BBLYJEJIAFBZSY-APPZFPTMSA-N 0 3 298.299 -2.020 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852879854 582231835 /nfs/dbraw/zinc/23/18/35/582231835.db2.gz HJXBSBDVRXJYQJ-PSASIEDQSA-N 0 3 284.316 -1.547 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852882251 582231844 /nfs/dbraw/zinc/23/18/44/582231844.db2.gz BBLYJEJIAFBZSY-CBAPKCEASA-N 0 3 298.299 -2.020 20 0 CAADHN NC[C@H]1CC(C(=O)N2CCN(CCO)CC2)=NO1 ZINC000852880017 582231868 /nfs/dbraw/zinc/23/18/68/582231868.db2.gz JFHLJBLRSFFFFC-SECBINFHSA-N 0 3 256.306 -1.774 20 0 CAADHN CNC(=O)CN1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852882731 582231900 /nfs/dbraw/zinc/23/19/00/582231900.db2.gz ADRDMWOCSHJWEP-VIFPVBQESA-N 0 3 283.332 -2.020 20 0 CAADHN COC(=O)C[C@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852885454 582231909 /nfs/dbraw/zinc/23/19/09/582231909.db2.gz QWXJBHHEGHFDJD-BDAKNGLRSA-N 0 3 285.300 -1.120 20 0 CAADHN COCCN(CC(=O)OC)C(=O)C1=NO[C@@H](CN)C1 ZINC000852885459 582231930 /nfs/dbraw/zinc/23/19/30/582231930.db2.gz QZJNLCNUBVPOBW-MRVPVSSYSA-N 0 3 273.289 -1.262 20 0 CAADHN COC[C@@H](NC(=O)C1=NO[C@H](CN)C1)C(=O)OC ZINC000852886617 582231960 /nfs/dbraw/zinc/23/19/60/582231960.db2.gz QPLMLIGEIPLMOQ-POYBYMJQSA-N 0 3 259.262 -1.606 20 0 CAADHN CN(CCN1CCOCC1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852882892 582231982 /nfs/dbraw/zinc/23/19/82/582231982.db2.gz CDVWOBCDGJIXDY-SNVBAGLBSA-N 0 3 270.333 -1.119 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852888329 582232026 /nfs/dbraw/zinc/23/20/26/582232026.db2.gz JMCOLWTXBJNBLY-JEZHCXPESA-N 0 3 285.300 -1.385 20 0 CAADHN CN(C)C(=O)NCCN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852886967 582232056 /nfs/dbraw/zinc/23/20/56/582232056.db2.gz APQVCKNUVIQVFI-MRVPVSSYSA-N 0 3 271.321 -1.180 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C2=NO[C@H](CN)C2)O1 ZINC000852888815 582232126 /nfs/dbraw/zinc/23/21/26/582232126.db2.gz MQTARDLAIRJZPW-QXEWZRGKSA-N 0 3 298.343 -1.158 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852894374 582232139 /nfs/dbraw/zinc/23/21/39/582232139.db2.gz QLHCPTGFHDKUEK-CBAPKCEASA-N 0 3 271.273 -1.510 20 0 CAADHN COCCN1CCN(C(=O)C2=NO[C@H](CN)C2)CC1=O ZINC000852888843 582232143 /nfs/dbraw/zinc/23/21/43/582232143.db2.gz NDPDJYJFCVGYCR-VIFPVBQESA-N 0 3 284.316 -1.593 20 0 CAADHN COCCN1CCCN(C(=O)C2=NO[C@H](CN)C2)CC1=O ZINC000852888707 582232147 /nfs/dbraw/zinc/23/21/47/582232147.db2.gz ZWAWPZRFSQCGRO-JTQLQIEISA-N 0 3 298.343 -1.203 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](NC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852896176 582232151 /nfs/dbraw/zinc/23/21/51/582232151.db2.gz UYRGXKDCWMLOKI-SFYZADRCSA-N 0 3 290.345 -1.760 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852894376 582232172 /nfs/dbraw/zinc/23/21/72/582232172.db2.gz QLHCPTGFHDKUEK-IONNQARKSA-N 0 3 271.273 -1.510 20 0 CAADHN Cn1cnnc1N1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852897135 582232174 /nfs/dbraw/zinc/23/21/74/582232174.db2.gz LUSCYZMVGHRHBM-SECBINFHSA-N 0 3 293.331 -1.433 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852888330 582232182 /nfs/dbraw/zinc/23/21/82/582232182.db2.gz JMCOLWTXBJNBLY-QNSHHTMESA-N 0 3 285.300 -1.385 20 0 CAADHN COC(=O)c1cn(CCNC(=O)C2=NO[C@H](CN)C2)nn1 ZINC000852890942 582232210 /nfs/dbraw/zinc/23/22/10/582232210.db2.gz NENZAOZHSHLVNT-ZETCQYMHSA-N 0 3 296.287 -1.716 20 0 CAADHN NC[C@@H]1CC(C(=O)NC[C@H]2CN3CCN2CCC3)=NO1 ZINC000852914630 582232398 /nfs/dbraw/zinc/23/23/98/582232398.db2.gz ZMWJVYXKRSOAPS-QWRGUYRKSA-N 0 3 281.360 -1.404 20 0 CAADHN CN1CCN(C(=O)C2=NO[C@H](CN)C2)CCC1=O ZINC000852910468 582232415 /nfs/dbraw/zinc/23/24/15/582232415.db2.gz VOOMVDKCDVDJAN-QMMMGPOBSA-N 0 3 254.290 -1.219 20 0 CAADHN NC[C@@H]1CC(C(=O)NC[C@@H]2CN3CCN2CCC3)=NO1 ZINC000852914629 582232511 /nfs/dbraw/zinc/23/25/11/582232511.db2.gz ZMWJVYXKRSOAPS-MNOVXSKESA-N 0 3 281.360 -1.404 20 0 CAADHN CN(C)C(=O)OCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852908608 582232552 /nfs/dbraw/zinc/23/25/52/582232552.db2.gz YGQHIHHTRIBTDG-SSDOTTSWSA-N 0 3 258.278 -1.096 20 0 CAADHN COC(=O)N(C)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852913266 582232559 /nfs/dbraw/zinc/23/25/59/582232559.db2.gz XTFCKDLWZLPKJJ-SSDOTTSWSA-N 0 3 258.278 -1.096 20 0 CAADHN CN(C[C@@H]1COCCO1)C(=O)C1=NO[C@H](CN)C1 ZINC000852908150 582232575 /nfs/dbraw/zinc/23/25/75/582232575.db2.gz VDKJJXOUXVODME-DTWKUNHWSA-N 0 3 257.290 -1.036 20 0 CAADHN C[C@@]1(C(N)=O)CCN(C(=O)C2=NO[C@H](CN)C2)C1 ZINC000852912690 582232594 /nfs/dbraw/zinc/23/25/94/582232594.db2.gz FDPOAKOAFMCPRV-WRWORJQWSA-N 0 3 254.290 -1.186 20 0 CAADHN CN(C[C@H]1COCCO1)C(=O)C1=NO[C@H](CN)C1 ZINC000852908152 582232624 /nfs/dbraw/zinc/23/26/24/582232624.db2.gz VDKJJXOUXVODME-IUCAKERBSA-N 0 3 257.290 -1.036 20 0 CAADHN COC(=O)N(C)CCN(C)C(=O)C(=O)N(C)[C@H](C)CN ZINC000852919894 582232717 /nfs/dbraw/zinc/23/27/17/582232717.db2.gz DQYCPUHICKCRCV-SECBINFHSA-N 0 3 288.348 -1.051 20 0 CAADHN COC(=O)N(C)CCNC[C@@H](O)CN1CCN(C)CC1 ZINC000853118205 582232955 /nfs/dbraw/zinc/23/29/55/582232955.db2.gz GSOWFFMFDZNBNE-GFCCVEGCSA-N 0 3 288.392 -1.118 20 0 CAADHN CCOC(=O)NCC(=O)N1CCOC2(CNC2)C1 ZINC000853245781 582233154 /nfs/dbraw/zinc/23/31/54/582233154.db2.gz YNOFEAOUEYQUKI-UHFFFAOYSA-N 0 3 257.290 -1.067 20 0 CAADHN CN(CC1CN(C)C1)CN1C(=O)C(=O)N(C)C1=O ZINC000853554843 582233350 /nfs/dbraw/zinc/23/33/50/582233350.db2.gz DOVRXCLTXKBRQB-UHFFFAOYSA-N 0 3 254.290 -1.142 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000854296192 582233846 /nfs/dbraw/zinc/23/38/46/582233846.db2.gz HRVYFOVZCKWHDY-NSHDSACASA-N 0 3 268.361 -1.172 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCCN(C)C1=O ZINC000854465707 582234258 /nfs/dbraw/zinc/23/42/58/582234258.db2.gz UIYHVLPRCPIZAM-NXEZZACHSA-N 0 3 257.334 -1.107 20 0 CAADHN CC1=C(C(=O)N[C@@H](CO)CN(C)C)Cn2nnnc2N1C ZINC000854463695 582234300 /nfs/dbraw/zinc/23/43/00/582234300.db2.gz DUJVNQBDAMVPEY-SECBINFHSA-N 0 3 295.347 -1.564 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H](O)c1cnn(C)c1 ZINC000854465985 582234315 /nfs/dbraw/zinc/23/43/15/582234315.db2.gz VNUOLLDVCJAOJU-VHSXEESVSA-N 0 3 256.306 -1.508 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H](O)c1cnn(C)c1 ZINC000854465983 582234321 /nfs/dbraw/zinc/23/43/21/582234321.db2.gz VNUOLLDVCJAOJU-NXEZZACHSA-N 0 3 256.306 -1.508 20 0 CAADHN CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CO)CN(C)C ZINC000854466452 582234326 /nfs/dbraw/zinc/23/43/26/582234326.db2.gz CYSSSUWLPZEAMX-VHSXEESVSA-N 0 3 275.374 -1.054 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000854467412 582234369 /nfs/dbraw/zinc/23/43/69/582234369.db2.gz UMOMGTXIWSTBPL-MRVPVSSYSA-N 0 3 284.316 -2.264 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCc1cnn(C)n1 ZINC000854467982 582234397 /nfs/dbraw/zinc/23/43/97/582234397.db2.gz NJFMNUSXLSANOO-JTQLQIEISA-N 0 3 255.322 -1.214 20 0 CAADHN CCn1ncn(NC(=O)[C@H]2CN3CCN2CCC3)c1=O ZINC000854628375 582235380 /nfs/dbraw/zinc/23/53/80/582235380.db2.gz DGIKKNUZFRUHGL-SNVBAGLBSA-N 0 3 280.332 -1.475 20 0 CAADHN C[NH+](C)CCO[N-]C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000854690578 582235752 /nfs/dbraw/zinc/23/57/52/582235752.db2.gz ZFHNEGMWYWVVDR-VIFPVBQESA-N 0 3 294.377 -1.489 20 0 CAADHN CN(C)CCONC(=O)CCNS(C)(=O)=O ZINC000854946993 582237012 /nfs/dbraw/zinc/23/70/12/582237012.db2.gz DKQQBINVZPLKGS-UHFFFAOYSA-N 0 3 253.324 -1.465 20 0 CAADHN CN(C)CCONC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O ZINC000854947389 582237109 /nfs/dbraw/zinc/23/71/09/582237109.db2.gz UGNQSPKGHSCILJ-AATRIKPKSA-N 0 3 296.327 -1.293 20 0 CAADHN C[NH+](C)CCO[N-]C(=O)CCCN1C(=O)CNC1=O ZINC000854947471 582237120 /nfs/dbraw/zinc/23/71/20/582237120.db2.gz XUHBGYGBGAQKDK-UHFFFAOYSA-N 0 3 272.305 -1.072 20 0 CAADHN CN(C)CCONC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000854946920 582237167 /nfs/dbraw/zinc/23/71/67/582237167.db2.gz ANVREIYRWIIWLO-UHFFFAOYSA-N 0 3 294.377 -1.489 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1COC(=O)N1 ZINC000855698682 582237841 /nfs/dbraw/zinc/23/78/41/582237841.db2.gz SRIITSWAEAKLLU-VIFPVBQESA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C)[C@@H](CO)C1 ZINC000857103293 582238704 /nfs/dbraw/zinc/23/87/04/582238704.db2.gz GBTILGRZZMZCNW-LPEHRKFASA-N 0 3 257.334 -1.073 20 0 CAADHN CN1CCC(C(=O)N2CCN(CC(N)=O)C(=O)C2)CC1 ZINC000857536154 582239145 /nfs/dbraw/zinc/23/91/45/582239145.db2.gz VVOUTSFXWZQBBT-UHFFFAOYSA-N 0 3 282.344 -1.516 20 0 CAADHN C[C@@H]([NH3+])C[N-]C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000857764268 582239346 /nfs/dbraw/zinc/23/93/46/582239346.db2.gz NXVZHUKWBPZKPR-SSDOTTSWSA-N 0 3 265.260 -1.056 20 0 CAADHN O=C([N-][C@H]1CC[NH2+]C1)C(F)(F)C(=O)N1CCOCC1 ZINC000857763035 582239411 /nfs/dbraw/zinc/23/94/11/582239411.db2.gz MOAVKOIOOPSSRZ-QMMMGPOBSA-N 0 3 277.271 -1.041 20 0 CAADHN NC(=O)C1=NO[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000858504844 582240208 /nfs/dbraw/zinc/24/02/08/582240208.db2.gz ZYDSJOUCYRMYOQ-GSVOUGTGSA-N 0 3 252.238 -1.922 20 0 CAADHN CNC(=O)NC(=O)CCN1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860158977 582242421 /nfs/dbraw/zinc/24/24/21/582242421.db2.gz XCTIZAXHUAUJFV-HTQZYQBOSA-N 0 3 255.274 -1.063 20 0 CAADHN C=CC(=O)N(C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000860827197 582243374 /nfs/dbraw/zinc/24/33/74/582243374.db2.gz WLLKIOVFHJHEHV-GFCCVEGCSA-N 0 3 255.318 -1.186 20 0 CAADHN CC(C)[C@H](NC=O)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000860827010 582243381 /nfs/dbraw/zinc/24/33/81/582243381.db2.gz TXDXJWUAZYUYRE-CMPLNLGQSA-N 0 3 257.334 -1.060 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)NC[C@H]1CNCCO1 ZINC000861645290 582244354 /nfs/dbraw/zinc/24/43/54/582244354.db2.gz ANRBKKYIAQIGGC-DTWKUNHWSA-N 0 3 274.321 -1.318 20 0 CAADHN O=C([C@@H]1COC(=O)N1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861716517 582244563 /nfs/dbraw/zinc/24/45/63/582244563.db2.gz ROQNLKYPFQBDLZ-AEJSXWLSSA-N 0 3 269.301 -1.238 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](CO)CN(C)C)O1 ZINC000861718320 582244704 /nfs/dbraw/zinc/24/47/04/582244704.db2.gz KUBWBSBWIPPJSM-AEJSXWLSSA-N 0 3 274.317 -1.254 20 0 CAADHN O=C([C@@H]1COC(=O)N1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861716525 582244708 /nfs/dbraw/zinc/24/47/08/582244708.db2.gz ROQNLKYPFQBDLZ-GUBZILKMSA-N 0 3 269.301 -1.238 20 0 CAADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000861717715 582244722 /nfs/dbraw/zinc/24/47/22/582244722.db2.gz SVDQLAIALODBDI-AEJSXWLSSA-N 0 3 296.327 -1.748 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 ZINC000861716813 582244733 /nfs/dbraw/zinc/24/47/33/582244733.db2.gz ANZXRVFLVBOVIN-XXUISHGZSA-N 0 3 298.339 -1.254 20 0 CAADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000861717719 582244750 /nfs/dbraw/zinc/24/47/50/582244750.db2.gz SVDQLAIALODBDI-GUBZILKMSA-N 0 3 296.327 -1.748 20 0 CAADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861717720 582244758 /nfs/dbraw/zinc/24/47/58/582244758.db2.gz SVDQLAIALODBDI-UTLUCORTSA-N 0 3 296.327 -1.748 20 0 CAADHN CCn1ncc(CNC(=O)C(=O)NC2CNC2)n1 ZINC000861776049 582244970 /nfs/dbraw/zinc/24/49/70/582244970.db2.gz FWEROIWMAQBHNX-UHFFFAOYSA-N 0 3 252.278 -1.998 20 0 CAADHN CCOC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)CN)CCO1 ZINC000861779016 582244974 /nfs/dbraw/zinc/24/49/74/582244974.db2.gz KJZIZCRBBHEMAA-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCS(=O)(=O)CC ZINC000861761911 582245068 /nfs/dbraw/zinc/24/50/68/582245068.db2.gz CARRHDXHFGTAIC-UHFFFAOYSA-N 0 3 279.362 -1.656 20 0 CAADHN CCOC[C@H]1CN(C(=O)C(=O)N[C@@H](C)CN)CCO1 ZINC000861779017 582245109 /nfs/dbraw/zinc/24/51/09/582245109.db2.gz KJZIZCRBBHEMAA-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCN(C)C(=O)OC ZINC000861786713 582245114 /nfs/dbraw/zinc/24/51/14/582245114.db2.gz OQMJJEKKJGKOJG-UHFFFAOYSA-N 0 3 274.321 -1.392 20 0 CAADHN NCCN(CCO)C(=O)C(=O)NCC1CC=CC1 ZINC000861788856 582245121 /nfs/dbraw/zinc/24/51/21/582245121.db2.gz AHPBRHGBWAKRCY-UHFFFAOYSA-N 0 3 255.318 -1.152 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCc1cnn(CC)n1 ZINC000861789493 582245225 /nfs/dbraw/zinc/24/52/25/582245225.db2.gz RXLMCTLZAZTTAH-UHFFFAOYSA-N 0 3 268.321 -1.279 20 0 CAADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000861807933 582245288 /nfs/dbraw/zinc/24/52/88/582245288.db2.gz JZWVFABFAUWIIC-WDEREUQCSA-N 0 3 285.344 -1.550 20 0 CAADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000861807930 582245332 /nfs/dbraw/zinc/24/53/32/582245332.db2.gz JZWVFABFAUWIIC-QWRGUYRKSA-N 0 3 285.344 -1.550 20 0 CAADHN NCCN(CCO)C(=O)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000861807920 582245363 /nfs/dbraw/zinc/24/53/63/582245363.db2.gz JZWVFABFAUWIIC-GHMZBOCLSA-N 0 3 285.344 -1.550 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H]2COCO2)CC1=O ZINC000861973050 582246003 /nfs/dbraw/zinc/24/60/03/582246003.db2.gz YYZOMJOWNCENGY-GHMZBOCLSA-N 0 3 285.344 -1.114 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCOC(=O)N2)CC1=O ZINC000862122027 582246208 /nfs/dbraw/zinc/24/62/08/582246208.db2.gz SVIMNEXNHHDTAE-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN CN(C)CCNC(=S)N1CCO[C@H](CC(N)=O)C1 ZINC000863240548 582248211 /nfs/dbraw/zinc/24/82/11/582248211.db2.gz YOGYQZFMHBWUAD-SECBINFHSA-N 0 3 274.390 -1.001 20 0 CAADHN CN(C)C1(C(=O)N2CCN(S(N)(=O)=O)CC2)CCC1 ZINC000119386923 582248257 /nfs/dbraw/zinc/24/82/57/582248257.db2.gz SXSFFVAZXGMEKS-UHFFFAOYSA-N 0 3 290.389 -1.182 20 0 CAADHN CCOC(=O)[C@@H]1NCC[C@@H]1NC[C@@H]1COCCN1 ZINC000863545323 582248967 /nfs/dbraw/zinc/24/89/67/582248967.db2.gz OQAWXQVAJWTQLY-OUAUKWLOSA-N 0 3 257.334 -1.142 20 0 CAADHN CCOC(=O)[C@@H]1NCC[C@H]1NC[C@@H]1COCCN1 ZINC000863545321 582248990 /nfs/dbraw/zinc/24/89/90/582248990.db2.gz OQAWXQVAJWTQLY-GMTAPVOTSA-N 0 3 257.334 -1.142 20 0 CAADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCN1CC[C@H](O)C1 ZINC000863546492 582249007 /nfs/dbraw/zinc/24/90/07/582249007.db2.gz JUJCSIAWNHIZHP-SDDRHHMPSA-N 0 3 271.361 -1.064 20 0 CAADHN CCOC(=O)[C@H]1NCC[C@H]1NCCN1CC[C@H](O)C1 ZINC000863546495 582249171 /nfs/dbraw/zinc/24/91/71/582249171.db2.gz JUJCSIAWNHIZHP-TUAOUCFPSA-N 0 3 271.361 -1.064 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@]1(F)CCNC1 ZINC000863583464 582249335 /nfs/dbraw/zinc/24/93/35/582249335.db2.gz XQEPBIVUSRPIPU-DGCLKSJQSA-N 0 3 289.351 -1.161 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC[C@H](O)CN1CCOCC1 ZINC000863587295 582249346 /nfs/dbraw/zinc/24/93/46/582249346.db2.gz UOVOFJKXTJXYRD-MNOVXSKESA-N 0 3 275.349 -1.323 20 0 CAADHN CN(C)S(=O)(=O)N1CC(NC[C@H](O)C2CC2)C1 ZINC000863586528 582249434 /nfs/dbraw/zinc/24/94/34/582249434.db2.gz CUQPVVAJFMIJDP-JTQLQIEISA-N 0 3 263.363 -1.163 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000863703307 582249532 /nfs/dbraw/zinc/24/95/32/582249532.db2.gz NVKYERCGIMTIGZ-RQJHMYQMSA-N 0 3 266.319 -1.056 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000863706500 582249656 /nfs/dbraw/zinc/24/96/56/582249656.db2.gz KUCLTOYDVVCIQR-MNOVXSKESA-N 0 3 284.360 -1.099 20 0 CAADHN CCN(CCS(C)(=O)=O)C(=O)C(=O)N(C)C[C@H](C)N ZINC000863765723 582250057 /nfs/dbraw/zinc/25/00/57/582250057.db2.gz SWPZRULFXKZBTH-VIFPVBQESA-N 0 3 293.389 -1.315 20 0 CAADHN CCN(CCS(C)(=O)=O)C(=O)C(=O)N(C)C[C@@H](C)N ZINC000863765715 582250102 /nfs/dbraw/zinc/25/01/02/582250102.db2.gz SWPZRULFXKZBTH-SECBINFHSA-N 0 3 293.389 -1.315 20 0 CAADHN O=C(CCN1CCOCC1)NCCN1CC[C@H](O)C1 ZINC000863832047 582250358 /nfs/dbraw/zinc/25/03/58/582250358.db2.gz SCICBNNDPBUTTR-LBPRGKRZSA-N 0 3 271.361 -1.109 20 0 CAADHN O=C(C1CN([C@H]2CCOC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864059774 582250707 /nfs/dbraw/zinc/25/07/07/582250707.db2.gz QJPSUSFKMGLFHY-MELADBBJSA-N 0 3 295.383 -1.016 20 0 CAADHN CN1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864059918 582250734 /nfs/dbraw/zinc/25/07/34/582250734.db2.gz UDRFNWRAGDGYOI-OPDFLTKYSA-N 0 3 283.372 -1.281 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1=O ZINC000864059557 582250761 /nfs/dbraw/zinc/25/07/61/582250761.db2.gz LQMDWEZFECZBDS-HBNTYKKESA-N 0 3 283.328 -1.879 20 0 CAADHN C[C@H](O)[C@@H](O)CNC(=O)C1CN(C2CCOCC2)C1 ZINC000864075531 582251329 /nfs/dbraw/zinc/25/13/29/582251329.db2.gz UQASXJSWRDIQKR-CABZTGNLSA-N 0 3 272.345 -1.045 20 0 CAADHN C[C@H](O)[C@H](O)CNC(=O)C1CN(C2CCOCC2)C1 ZINC000864075532 582251350 /nfs/dbraw/zinc/25/13/50/582251350.db2.gz UQASXJSWRDIQKR-JOYOIKCWSA-N 0 3 272.345 -1.045 20 0 CAADHN CN(C)CC(=O)N1CCN(C(=O)[C@H](O)c2c[nH]cn2)CC1 ZINC000864838134 582252647 /nfs/dbraw/zinc/25/26/47/582252647.db2.gz XIVITDLVTJGYTJ-GFCCVEGCSA-N 0 3 295.343 -1.325 20 0 CAADHN Cn1nnnc1CCN1CCC[C@H](N2CCNCC2=O)C1 ZINC000866659066 582253906 /nfs/dbraw/zinc/25/39/06/582253906.db2.gz CELOSEMWDDXGFE-NSHDSACASA-N 0 3 293.375 -1.351 20 0 CAADHN CC[S@](C)(=O)=NS(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000866742030 582254077 /nfs/dbraw/zinc/25/40/77/582254077.db2.gz KHBULIVOTDCYIQ-XLFHBGCDSA-N 0 3 298.434 -1.076 20 0 CAADHN CN1CCN(S(=O)(=O)N=S(C)(C)=O)[C@@H](CN)C1 ZINC000866741975 582254083 /nfs/dbraw/zinc/25/40/83/582254083.db2.gz KASLKTDKVQMJID-QMMMGPOBSA-N 0 3 284.407 -1.467 20 0 CAADHN CC[S@@](C)(=O)=NS(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000866742028 582254092 /nfs/dbraw/zinc/25/40/92/582254092.db2.gz KHBULIVOTDCYIQ-VVVCHXIZSA-N 0 3 298.434 -1.076 20 0 CAADHN O=C1NCCO[C@@H]2CCCN(C[C@@H]3CNCCO3)[C@@H]12 ZINC000866718152 582254099 /nfs/dbraw/zinc/25/40/99/582254099.db2.gz YAEOUYMQTXDLDQ-QJPTWQEYSA-N 0 3 269.345 -1.046 20 0 CAADHN CC[S@@](C)(=O)=NS(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000866742022 582254155 /nfs/dbraw/zinc/25/41/55/582254155.db2.gz KHBULIVOTDCYIQ-HUTHGQBESA-N 0 3 298.434 -1.076 20 0 CAADHN O=S(=O)(C[C@@H]1CNCCO1)[N-][C@@H]1C[NH2+]CCC1(F)F ZINC000866770458 582254308 /nfs/dbraw/zinc/25/43/08/582254308.db2.gz ZHDWWPXTZNIRGW-DTWKUNHWSA-N 0 3 299.343 -1.109 20 0 CAADHN CS(=O)(=O)CCS(=O)(=O)N1C[C@@H]2C[C@H]1CN2 ZINC000866790570 582254384 /nfs/dbraw/zinc/25/43/84/582254384.db2.gz WSONEYNQXVNXJQ-YUMQZZPRSA-N 0 3 268.360 -1.593 20 0 CAADHN O=C(CNC1CC1)NC[C@@]12COCCN1C(=O)COC2 ZINC000867996602 582255462 /nfs/dbraw/zinc/25/54/62/582255462.db2.gz HPDGCLFCNQJXEO-ZDUSSCGKSA-N 0 3 283.328 -1.518 20 0 CAADHN CC1(C)CN[C@H]1C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000867996507 582255470 /nfs/dbraw/zinc/25/54/70/582255470.db2.gz DWGZGKNFLYIZOE-FZMZJTMJSA-N 0 3 297.355 -1.272 20 0 CAADHN CC(C)NCC(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000867996808 582255488 /nfs/dbraw/zinc/25/54/88/582255488.db2.gz MDFRTFLTYHMVSX-ZDUSSCGKSA-N 0 3 285.344 -1.272 20 0 CAADHN CCNCC(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000867996628 582255516 /nfs/dbraw/zinc/25/55/16/582255516.db2.gz IDYJMWGBWLFVDY-GFCCVEGCSA-N 0 3 271.317 -1.660 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)CNC[C@@H]3CCCO3)C[C@H]2C1=O ZINC000867991638 582255572 /nfs/dbraw/zinc/25/55/72/582255572.db2.gz BMGUWQVWYFEAPY-GARJFASQSA-N 0 3 295.339 -1.172 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)CNC3CC3)C[C@H]2C1=O ZINC000867992702 582255582 /nfs/dbraw/zinc/25/55/82/582255582.db2.gz SHOSIUGFDLTDEO-DTORHVGOSA-N 0 3 251.286 -1.188 20 0 CAADHN C[C@@H](N)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000867998182 582255715 /nfs/dbraw/zinc/25/57/15/582255715.db2.gz RIYCDFLSBQZDDO-KCJUWKMLSA-N 0 3 257.290 -1.922 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)/C=C\CN1CCOCC1 ZINC000868345373 582256184 /nfs/dbraw/zinc/25/61/84/582256184.db2.gz HCFRFXGEMOMUAF-VSQXVHSFSA-N 0 3 271.361 -1.087 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)/C=C/CN1CCOCC1 ZINC000868345372 582256231 /nfs/dbraw/zinc/25/62/31/582256231.db2.gz HCFRFXGEMOMUAF-PCAWENJQSA-N 0 3 271.361 -1.087 20 0 CAADHN CNC(=O)CCN(C)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000868414334 582256339 /nfs/dbraw/zinc/25/63/39/582256339.db2.gz BEWOZVJTYUYJLJ-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](O)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CCO1 ZINC000868413507 582256372 /nfs/dbraw/zinc/25/63/72/582256372.db2.gz LFLGFPGJBQDWGU-QJPTWQEYSA-N 0 3 299.371 -1.066 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H](O)c1cnc[nH]1 ZINC000869260808 582257185 /nfs/dbraw/zinc/25/71/85/582257185.db2.gz LTQONIIILLNBKJ-LBPRGKRZSA-N 0 3 297.359 -1.079 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H](O)c1c[nH]cn1 ZINC000869260808 582257186 /nfs/dbraw/zinc/25/71/86/582257186.db2.gz LTQONIIILLNBKJ-LBPRGKRZSA-N 0 3 297.359 -1.079 20 0 CAADHN C[C@H](CNS(C)(=O)=O)OC(=O)C1CCN(C)C1=O ZINC000870613863 582257492 /nfs/dbraw/zinc/25/74/92/582257492.db2.gz XTAGOTRMYXIPES-HTQZYQBOSA-N 0 3 278.330 -1.054 20 0 CAADHN N[C@@H](C(=O)NC[C@]12COCCN1C(=O)COC2)C1CCC1 ZINC000870977291 582257623 /nfs/dbraw/zinc/25/76/23/582257623.db2.gz DZZHLUGONBLCLX-TZMCWYRMSA-N 0 3 297.355 -1.142 20 0 CAADHN CC(C)(N)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000870977048 582257628 /nfs/dbraw/zinc/25/76/28/582257628.db2.gz AGBYVDZWYIFPFL-GFCCVEGCSA-N 0 3 271.317 -1.532 20 0 CAADHN CN1CCN(C(=O)CN2CCCCC(=O)C2=O)[C@H](CN)C1 ZINC000870938899 582257632 /nfs/dbraw/zinc/25/76/32/582257632.db2.gz WDKMWAGHIMAHJW-LLVKDONJSA-N 0 3 296.371 -1.331 20 0 CAADHN N[C@@H](C(=O)NC[C@@]12COCCN1C(=O)COC2)C1CCC1 ZINC000870977290 582257637 /nfs/dbraw/zinc/25/76/37/582257637.db2.gz DZZHLUGONBLCLX-OCCSQVGLSA-N 0 3 297.355 -1.142 20 0 CAADHN C[C@H](NC1CC1)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000870977060 582257654 /nfs/dbraw/zinc/25/76/54/582257654.db2.gz AOEQTEFSWRYNNH-IINYFYTJSA-N 0 3 297.355 -1.129 20 0 CAADHN CC(C)[C@H](N)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000870977123 582257658 /nfs/dbraw/zinc/25/76/58/582257658.db2.gz CCANVWNAOLOQFH-AAEUAGOBSA-N 0 3 285.344 -1.286 20 0 CAADHN CC(C)[C@@H](N)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000870977126 582257673 /nfs/dbraw/zinc/25/76/73/582257673.db2.gz CCANVWNAOLOQFH-YPMHNXCESA-N 0 3 285.344 -1.286 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)C(N)C(F)(F)F)C[C@H]2C1=O ZINC000870960586 582257677 /nfs/dbraw/zinc/25/76/77/582257677.db2.gz GUUSXAOYZNAHMP-NGJCXOISSA-N 0 3 279.218 -1.051 20 0 CAADHN CC[C@@H](N)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000870977861 582257781 /nfs/dbraw/zinc/25/77/81/582257781.db2.gz MFBPYWHJYAIULA-SKDRFNHKSA-N 0 3 271.317 -1.532 20 0 CAADHN C[C@H](O)[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000871134156 582257955 /nfs/dbraw/zinc/25/79/55/582257955.db2.gz YVFDCZGATHSNFA-AXFHLTTASA-N 0 3 287.360 -1.746 20 0 CAADHN C[C@H](O)[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000871134162 582257957 /nfs/dbraw/zinc/25/79/57/582257957.db2.gz YVFDCZGATHSNFA-DCAQKATOSA-N 0 3 287.360 -1.746 20 0 CAADHN CCN1CCN(CCC(=O)NC[C@@H](O)[C@H](C)O)CC1 ZINC000871132345 582257966 /nfs/dbraw/zinc/25/79/66/582257966.db2.gz MGQZSCWXFINFJH-NWDGAFQWSA-N 0 3 273.377 -1.128 20 0 CAADHN CCN1CCN(CCC(=O)NC[C@H](O)[C@H](C)O)CC1 ZINC000871132346 582258005 /nfs/dbraw/zinc/25/80/05/582258005.db2.gz MGQZSCWXFINFJH-RYUDHWBXSA-N 0 3 273.377 -1.128 20 0 CAADHN C[C@H](O)[C@H](O)CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000871134164 582258014 /nfs/dbraw/zinc/25/80/14/582258014.db2.gz YVFDCZGATHSNFA-GARJFASQSA-N 0 3 287.360 -1.746 20 0 CAADHN CCN1CCN(CCC(=O)NC[C@@H](O)[C@@H](C)O)CC1 ZINC000871132347 582258017 /nfs/dbraw/zinc/25/80/17/582258017.db2.gz MGQZSCWXFINFJH-VXGBXAGGSA-N 0 3 273.377 -1.128 20 0 CAADHN C[C@H](O)[C@@H](O)CNC(=O)c1ccn(CCN(C)C)n1 ZINC000871138567 582258047 /nfs/dbraw/zinc/25/80/47/582258047.db2.gz ADONBSKNFKSPCX-ONGXEEELSA-N 0 3 270.333 -1.084 20 0 CAADHN CCS(=O)(=O)CCNCCCS(=O)(=O)NC ZINC000872220121 582259016 /nfs/dbraw/zinc/25/90/16/582259016.db2.gz FDEFUPDKUUNKRM-UHFFFAOYSA-N 0 3 272.392 -1.050 20 0 CAADHN CC(C)(O)C[C@H](O)CN[C@H](CO)CN1CCOCC1 ZINC000872214813 582259021 /nfs/dbraw/zinc/25/90/21/582259021.db2.gz GKXCZYLORWWVOD-RYUDHWBXSA-N 0 3 276.377 -1.209 20 0 CAADHN CCNCC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC000872289035 582259073 /nfs/dbraw/zinc/25/90/73/582259073.db2.gz WOQNDYOLDVKDLH-NSHDSACASA-N 0 3 257.290 -1.067 20 0 CAADHN CCNCC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC000872289034 582259151 /nfs/dbraw/zinc/25/91/51/582259151.db2.gz WOQNDYOLDVKDLH-LLVKDONJSA-N 0 3 257.290 -1.067 20 0 CAADHN Cn1c(=O)cc(N2C[C@@H]3CCCN3C[C@@H]2CO)n(C)c1=O ZINC000872757858 582259503 /nfs/dbraw/zinc/25/95/03/582259503.db2.gz NBYXWWQLSBVBQG-WDEREUQCSA-N 0 3 294.355 -1.271 20 0 CAADHN CCOC(=O)[C@H]1NCC[C@@H]1NCCCS(=O)(=O)NC ZINC000873241831 582259708 /nfs/dbraw/zinc/25/97/08/582259708.db2.gz GIRUFIQGIIDCGV-UWVGGRQHSA-N 0 3 293.389 -1.191 20 0 CAADHN CN(CCS(N)(=O)=O)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000874600606 582260310 /nfs/dbraw/zinc/26/03/10/582260310.db2.gz ULWJGWPFGSNFKP-JTQLQIEISA-N 0 3 290.389 -1.877 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCCN2C ZINC000874827120 582260468 /nfs/dbraw/zinc/26/04/68/582260468.db2.gz BWGFBJCSRZITPI-NXEZZACHSA-N 0 3 290.389 -1.265 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N[C@H]1COC[C@H]1O ZINC000875237560 582260979 /nfs/dbraw/zinc/26/09/79/582260979.db2.gz PZVIXCOLTHHPSX-NOOOWODRSA-N 0 3 285.344 -1.092 20 0 CAADHN COC(=O)C1(O)CN(C(=O)N[C@@H](C)CN(C)C)C1 ZINC000875581881 582261382 /nfs/dbraw/zinc/26/13/82/582261382.db2.gz AXVBCHKXTBHWHN-QMMMGPOBSA-N 0 3 259.306 -1.134 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000875896496 582261914 /nfs/dbraw/zinc/26/19/14/582261914.db2.gz NPKQGNCSIJIJDZ-CABZTGNLSA-N 0 3 288.348 -1.240 20 0 CAADHN COC[C@]1(CN(C)C)COCCN1C(=O)Cn1cnnn1 ZINC000876471006 582262280 /nfs/dbraw/zinc/26/22/80/582262280.db2.gz JYEDRONKQPFFKB-GFCCVEGCSA-N 0 3 298.347 -1.521 20 0 CAADHN COC[C@@]1(C(=O)N2CCN[C@H](C)C2)CNCCO1 ZINC000876531458 582262567 /nfs/dbraw/zinc/26/25/67/582262567.db2.gz GRNKIQUFMJBBCE-ZYHUDNBSSA-N 0 3 257.334 -1.188 20 0 CAADHN CN1CCN(C(=O)/C=C/CN2CCOCC2)[C@@H](CN)C1 ZINC000876542022 582262592 /nfs/dbraw/zinc/26/25/92/582262592.db2.gz JOHBSTLUSCEUBA-IBUXWKBASA-N 0 3 282.388 -1.024 20 0 CAADHN COC[C@]1(C(=O)N2CCN[C@H](C)C2)CNCCO1 ZINC000876531457 582262670 /nfs/dbraw/zinc/26/26/70/582262670.db2.gz GRNKIQUFMJBBCE-PWSUYJOCSA-N 0 3 257.334 -1.188 20 0 CAADHN COC(=O)Cn1ccc(NC(=O)CN2CCNCC2)n1 ZINC000876609162 582262711 /nfs/dbraw/zinc/26/27/11/582262711.db2.gz PQQVQPATGIIORX-UHFFFAOYSA-N 0 3 281.316 -1.100 20 0 CAADHN CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](N)CN(C)C ZINC000876599638 582262740 /nfs/dbraw/zinc/26/27/40/582262740.db2.gz HCKBHVFIRIBKCN-JTQLQIEISA-N 0 3 294.421 -1.337 20 0 CAADHN CCN[C@H](C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000876635164 582262753 /nfs/dbraw/zinc/26/27/53/582262753.db2.gz OAIRHKSXGHRWLG-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CN1CCN(C(=O)CN2CCOC2=O)[C@@H](CN)C1 ZINC000876542747 582262760 /nfs/dbraw/zinc/26/27/60/582262760.db2.gz SNLMHSFOXUXDKT-VIFPVBQESA-N 0 3 256.306 -1.460 20 0 CAADHN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H](N)CN(C)C ZINC000876596308 582262775 /nfs/dbraw/zinc/26/27/75/582262775.db2.gz KSHPEXOGKVRPEZ-GUBZILKMSA-N 0 3 256.350 -1.012 20 0 CAADHN CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H](N)CN(C)C)C1=O ZINC000876701753 582262856 /nfs/dbraw/zinc/26/28/56/582262856.db2.gz XHPSOTNYCIXPJR-DTWKUNHWSA-N 0 3 270.333 -1.473 20 0 CAADHN CC1N=NC(=S)N1CCNC(=O)[C@@H](N)CN(C)C ZINC000876678933 582262931 /nfs/dbraw/zinc/26/29/31/582262931.db2.gz SZNDBVUWAIFZNF-QMMMGPOBSA-N 0 3 272.378 -1.120 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](N)CN(C)C ZINC000876693828 582262949 /nfs/dbraw/zinc/26/29/49/582262949.db2.gz AMMVLDGAKIKUAZ-ZJUUUORDSA-N 0 3 292.405 -1.585 20 0 CAADHN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H](N)CN(C)C)C1=O ZINC000876701761 582262983 /nfs/dbraw/zinc/26/29/83/582262983.db2.gz XHPSOTNYCIXPJR-IUCAKERBSA-N 0 3 270.333 -1.473 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000876712955 582263046 /nfs/dbraw/zinc/26/30/46/582263046.db2.gz VCSVQMPHTUQJDA-LBPRGKRZSA-N 0 3 297.403 -1.702 20 0 CAADHN CN(C)C[C@H](N)C(=O)NCCNc1cnccn1 ZINC000876723972 582263048 /nfs/dbraw/zinc/26/30/48/582263048.db2.gz JXIZWWDPTULPGG-VIFPVBQESA-N 0 3 252.322 -1.106 20 0 CAADHN CCNC(=O)N1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000876704417 582263056 /nfs/dbraw/zinc/26/30/56/582263056.db2.gz OLYJOUNELQUQMK-ZJUUUORDSA-N 0 3 271.365 -1.205 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000876753088 582263065 /nfs/dbraw/zinc/26/30/65/582263065.db2.gz IFKWVYZZDHSXST-YNEHKIRRSA-N 0 3 284.404 -1.067 20 0 CAADHN Cc1nc(CN2CCN(C(=O)[C@@H](N)CN(C)C)CC2)no1 ZINC000876759275 582263092 /nfs/dbraw/zinc/26/30/92/582263092.db2.gz JNTQQZDMVGLLOQ-NSHDSACASA-N 0 3 296.375 -1.089 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000876774550 582263163 /nfs/dbraw/zinc/26/31/63/582263163.db2.gz ZAGNTVYPDDBMFL-JTQLQIEISA-N 0 3 285.392 -1.717 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(c2cnn(C)c2)CC1 ZINC000876765645 582263176 /nfs/dbraw/zinc/26/31/76/582263176.db2.gz VGRJUQAVGLRMSK-LBPRGKRZSA-N 0 3 280.376 -1.042 20 0 CAADHN COC[C@]1(C(=O)NCC(F)(F)CN)CNCCO1 ZINC000876809045 582263319 /nfs/dbraw/zinc/26/33/19/582263319.db2.gz QBGQYXFBADVURE-VIFPVBQESA-N 0 3 267.276 -1.298 20 0 CAADHN Nc1ncn(CC(=O)N[C@@H]2CNCCC2(F)F)n1 ZINC000876865452 582263470 /nfs/dbraw/zinc/26/34/70/582263470.db2.gz AZJYZLINOXTRFR-ZCFIWIBFSA-N 0 3 260.248 -1.026 20 0 CAADHN COC[C@]1(C(=O)NC[C@@H]2C[C@H](F)CN2)CNCCO1 ZINC000876855843 582263483 /nfs/dbraw/zinc/26/34/83/582263483.db2.gz DJMAXKXSKIJMFT-NHCYSSNCSA-N 0 3 275.324 -1.192 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCNC[C@@H]1C(F)F ZINC000876855169 582263486 /nfs/dbraw/zinc/26/34/86/582263486.db2.gz ZHTVVHLBJVIAAZ-JGVFFNPUSA-N 0 3 250.293 -1.059 20 0 CAADHN CN1C(=O)CN(CC(=O)N[C@@H]2CNCCC2(F)F)C1=O ZINC000876864592 582263488 /nfs/dbraw/zinc/26/34/88/582263488.db2.gz OKQBBQVUTALSND-SSDOTTSWSA-N 0 3 290.270 -1.006 20 0 CAADHN COCCN(CC(=O)OC)C(=O)[C@@H](N)CN(C)C ZINC000876881064 582263564 /nfs/dbraw/zinc/26/35/64/582263564.db2.gz UUXUMWJGOBNAHT-VIFPVBQESA-N 0 3 261.322 -1.477 20 0 CAADHN C[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)[C@@H](C(N)=O)C1 ZINC000876884529 582263586 /nfs/dbraw/zinc/26/35/86/582263586.db2.gz KWQARXSLKBMBPA-LPEHRKFASA-N 0 3 256.350 -1.012 20 0 CAADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876899290 582263618 /nfs/dbraw/zinc/26/36/18/582263618.db2.gz HXAYHBYZHUDBIF-UWVGGRQHSA-N 0 3 292.405 -1.585 20 0 CAADHN O=C(/C=C\CN1CCOCC1)NC[C@H]1CNCCO1 ZINC000876916888 582263744 /nfs/dbraw/zinc/26/37/44/582263744.db2.gz IQWBKNKMXARHHZ-UDSFMNFJSA-N 0 3 269.345 -1.021 20 0 CAADHN COC[C@@]1(C(=O)NC[C@@H]2CNCCO2)CNCCO1 ZINC000876917887 582263781 /nfs/dbraw/zinc/26/37/81/582263781.db2.gz XKUNDHSHNCEUKQ-CMPLNLGQSA-N 0 3 273.333 -1.904 20 0 CAADHN O=C(CN1CCNCC1)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000876940055 582263798 /nfs/dbraw/zinc/26/37/98/582263798.db2.gz PDSPCIMZBXFOAB-MNOVXSKESA-N 0 3 282.344 -1.152 20 0 CAADHN O=C(CN1CCNCC1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000876910879 582263806 /nfs/dbraw/zinc/26/38/06/582263806.db2.gz OUSGPDUSQDAZFY-MNOVXSKESA-N 0 3 282.344 -1.152 20 0 CAADHN CN(C)C[C@H](N)C(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000876987333 582263842 /nfs/dbraw/zinc/26/38/42/582263842.db2.gz XXZPBYFRUJHYKQ-NEPJUHHUSA-N 0 3 288.392 -1.973 20 0 CAADHN COC[C@]1(C(=O)N2CC[C@@H](F)[C@H](N)C2)CNCCO1 ZINC000876979145 582263846 /nfs/dbraw/zinc/26/38/46/582263846.db2.gz VNTQNIOHNGDGNF-FOGDFJRCSA-N 0 3 275.324 -1.111 20 0 CAADHN COC(=O)[C@@]1(F)CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876957383 582263919 /nfs/dbraw/zinc/26/39/19/582263919.db2.gz ZLIGUHCQYILRMO-GZMMTYOYSA-N 0 3 261.297 -1.011 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000876966305 582263926 /nfs/dbraw/zinc/26/39/26/582263926.db2.gz PAYJMMZGZIRNDE-RYUDHWBXSA-N 0 3 270.377 -1.192 20 0 CAADHN O=C(CN1CCNCC1)N1CC[C@H](N2CCOC2=O)C1 ZINC000876962560 582263930 /nfs/dbraw/zinc/26/39/30/582263930.db2.gz SRFRQBIHMCTUTM-NSHDSACASA-N 0 3 282.344 -1.055 20 0 CAADHN CCNCC(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000876986287 582263972 /nfs/dbraw/zinc/26/39/72/582263972.db2.gz AHUFGOJRBLJXOJ-LLVKDONJSA-N 0 3 259.350 -1.253 20 0 CAADHN CNC(=O)NC[C@@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000877000095 582263976 /nfs/dbraw/zinc/26/39/76/582263976.db2.gz KJWXPGRUAWLGQP-BXKDBHETSA-N 0 3 288.323 -1.156 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C1=NO[C@H](CN)C1 ZINC000877035209 582264018 /nfs/dbraw/zinc/26/40/18/582264018.db2.gz VJKVNXVWBJPRJH-IUCAKERBSA-N 0 3 256.306 -1.463 20 0 CAADHN CNC(=O)NC[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000877000099 582264030 /nfs/dbraw/zinc/26/40/30/582264030.db2.gz KJWXPGRUAWLGQP-SKDRFNHKSA-N 0 3 288.323 -1.156 20 0 CAADHN COC[C@@]1(C(=O)NC[C@H]2COCCN2)CNCCO1 ZINC000877038701 582264065 /nfs/dbraw/zinc/26/40/65/582264065.db2.gz WLTMTTJIXHFMBM-CMPLNLGQSA-N 0 3 273.333 -1.904 20 0 CAADHN CCNCC(=O)N1CCO[C@H](CNC(=O)NC)C1 ZINC000877000630 582264115 /nfs/dbraw/zinc/26/41/15/582264115.db2.gz PXQVAJQBQRFWKK-SECBINFHSA-N 0 3 258.322 -1.248 20 0 CAADHN COC(=O)CCNC(=O)CCNC(=O)[C@]1(F)CCNC1 ZINC000877062329 582264153 /nfs/dbraw/zinc/26/41/53/582264153.db2.gz JYEZSTTUTJHAAP-LBPRGKRZSA-N 0 3 289.307 -1.126 20 0 CAADHN NC(=O)C[C@H]1CN(C(=O)[C@@]2(F)CCNC2)CCO1 ZINC000877080456 582264166 /nfs/dbraw/zinc/26/41/66/582264166.db2.gz QXYZPMCSWQEHDG-GZMMTYOYSA-N 0 3 259.281 -1.209 20 0 CAADHN CCNCC(=O)NCCC(=O)NCCC(=O)OC ZINC000877061825 582264186 /nfs/dbraw/zinc/26/41/86/582264186.db2.gz ATWHYIDRFZMIAG-UHFFFAOYSA-N 0 3 259.306 -1.219 20 0 CAADHN C[C@@H](N)CN(C)C(=O)CN1CCS(=O)(=O)CC1 ZINC000877103541 582264260 /nfs/dbraw/zinc/26/42/60/582264260.db2.gz OMQZRWXZCYQMGF-SECBINFHSA-N 0 3 263.363 -1.478 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000877090028 582264292 /nfs/dbraw/zinc/26/42/92/582264292.db2.gz YNQITUGJMHYRFE-IUCAKERBSA-N 0 3 259.306 -1.111 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)CCOC1CNC1 ZINC000877089680 582264318 /nfs/dbraw/zinc/26/43/18/582264318.db2.gz QZIXBJHJVAORQI-QMMMGPOBSA-N 0 3 259.306 -1.111 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)CN1CCNCC1 ZINC000877110665 582264409 /nfs/dbraw/zinc/26/44/09/582264409.db2.gz BKNJGNPLAKDNMA-SECBINFHSA-N 0 3 258.322 -1.584 20 0 CAADHN NC[C@H]1CC(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)=NO1 ZINC000877114131 582264449 /nfs/dbraw/zinc/26/44/49/582264449.db2.gz LKWZECPCERBVRE-BWZBUEFSSA-N 0 3 253.258 -1.279 20 0 CAADHN CCN1CC[C@@H](NC(=O)C2=NO[C@@H](CN)C2)C1=O ZINC000877130692 582264555 /nfs/dbraw/zinc/26/45/55/582264555.db2.gz ZMHBCWYCHFGNOE-HTQZYQBOSA-N 0 3 254.290 -1.173 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000877143142 582264581 /nfs/dbraw/zinc/26/45/81/582264581.db2.gz FWDHEZUHFSJNCZ-AQUOVQTQSA-N 0 3 282.344 -1.614 20 0 CAADHN CNC(=O)NC[C@H]1COCCN1C(=O)[C@@]1(F)CCNC1 ZINC000877221147 582264707 /nfs/dbraw/zinc/26/47/07/582264707.db2.gz NSWGYDMTUFMHCB-JOYOIKCWSA-N 0 3 288.323 -1.156 20 0 CAADHN O=C(NC[C@]12COCCN1C(=O)COC2)[C@H]1CCCCN1 ZINC000877248046 582264717 /nfs/dbraw/zinc/26/47/17/582264717.db2.gz DVJKOIQGXGEMDT-BXUZGUMPSA-N 0 3 297.355 -1.128 20 0 CAADHN O=C(NC[C@]12COCCN1C(=O)COC2)[C@@H]1CCCCN1 ZINC000877248049 582264740 /nfs/dbraw/zinc/26/47/40/582264740.db2.gz DVJKOIQGXGEMDT-SMDDNHRTSA-N 0 3 297.355 -1.128 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)CN3CCNCC3)C[C@H]2C1=O ZINC000877239320 582264743 /nfs/dbraw/zinc/26/47/43/582264743.db2.gz IRQVFLOGZUMGJM-AOOOYVTPSA-N 0 3 280.328 -2.035 20 0 CAADHN O=C(C[C@@H]1CNCCO1)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000877270125 582264842 /nfs/dbraw/zinc/26/48/42/582264842.db2.gz MRAIYYBAYNSLBJ-NQBHXWOUSA-N 0 3 297.355 -1.129 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000877271934 582265028 /nfs/dbraw/zinc/26/50/28/582265028.db2.gz YKZPXZOAQTXMQO-GARJFASQSA-N 0 3 284.360 -1.619 20 0 CAADHN NCC(=O)NCC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000877343949 582265066 /nfs/dbraw/zinc/26/50/66/582265066.db2.gz SGLWDQPALMNYIE-GFCCVEGCSA-N 0 3 276.340 -1.108 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877394641 582265255 /nfs/dbraw/zinc/26/52/55/582265255.db2.gz WGULRWHKNRWUSL-PELKAZGASA-N 0 3 266.301 -1.061 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(CCn2cnnn2)CC1 ZINC000878198915 582265955 /nfs/dbraw/zinc/26/59/55/582265955.db2.gz QNIGVLMBTYAYQC-GFCCVEGCSA-N 0 3 293.375 -1.089 20 0 CAADHN OC1(CN2CCOCC2)CCN(CCn2cnnn2)CC1 ZINC000878337799 582266173 /nfs/dbraw/zinc/26/61/73/582266173.db2.gz IFNITDMFWSDMAL-UHFFFAOYSA-N 0 3 296.375 -1.168 20 0 CAADHN CC(C)OC[C@H](O)CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000878677636 582266408 /nfs/dbraw/zinc/26/64/08/582266408.db2.gz KKXOVVUNEDDLAW-BBBLOLIVSA-N 0 3 256.302 -1.023 20 0 CAADHN CC(C)OC[C@@H](O)CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000878677637 582266446 /nfs/dbraw/zinc/26/64/46/582266446.db2.gz KKXOVVUNEDDLAW-LPEHRKFASA-N 0 3 256.302 -1.023 20 0 CAADHN COC(=O)[C@H]1CN(C)CCN(CCc2nnnn2C)C1 ZINC000878708482 582266634 /nfs/dbraw/zinc/26/66/34/582266634.db2.gz PXKXEDQXZWCKKQ-JTQLQIEISA-N 0 3 282.348 -1.211 20 0 CAADHN CN(C)CCN(CCN(C)C)C(=O)c1nnn(C)n1 ZINC000878969321 582266777 /nfs/dbraw/zinc/26/67/77/582266777.db2.gz RBVSVOSIUMBOCC-UHFFFAOYSA-N 0 3 269.353 -1.225 20 0 CAADHN NC(=O)[C@H]1CN(CCOC(F)F)C[C@@H]1C(N)=O ZINC000878974120 582266998 /nfs/dbraw/zinc/26/69/98/582266998.db2.gz VSIGBYLGGQEYED-WDSKDSINSA-N 0 3 251.233 -1.256 20 0 CAADHN NC(=O)[C@H]1CN(CCOC(F)F)C[C@H]1C(N)=O ZINC000878974118 582267084 /nfs/dbraw/zinc/26/70/84/582267084.db2.gz VSIGBYLGGQEYED-OLQVQODUSA-N 0 3 251.233 -1.256 20 0 CAADHN CON(C)C(=O)CN1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879158460 582267184 /nfs/dbraw/zinc/26/71/84/582267184.db2.gz PIDGMAKLZOVELS-TXEJJXNPSA-N 0 3 269.301 -1.009 20 0 CAADHN CNS(=O)(=O)CCCN1CCC[C@@H](CO)[C@H]1CO ZINC000879363587 582267283 /nfs/dbraw/zinc/26/72/83/582267283.db2.gz WVUBQDNNQBXYJU-WDEREUQCSA-N 0 3 280.390 -1.009 20 0 CAADHN CN1CC[C@@H](N2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000879534031 582267567 /nfs/dbraw/zinc/26/75/67/582267567.db2.gz LCUNMRUITHQJGY-HRDYMLBCSA-N 0 3 251.286 -1.236 20 0 CAADHN CNS(=O)(=O)CCCN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879534617 582267570 /nfs/dbraw/zinc/26/75/70/582267570.db2.gz RWTUJHNNWYFSHB-DTORHVGOSA-N 0 3 289.357 -1.528 20 0 CAADHN CCOC(=O)C[C@H](O)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879536179 582267809 /nfs/dbraw/zinc/26/78/09/582267809.db2.gz ITWNTSPWXUQFIP-LPEHRKFASA-N 0 3 284.312 -1.153 20 0 CAADHN C[C@@H]1NC(=O)N(CCN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)C1=O ZINC000879536033 582267896 /nfs/dbraw/zinc/26/78/96/582267896.db2.gz YZDHDKQIRMGBBX-XHNCKOQMSA-N 0 3 294.311 -1.527 20 0 CAADHN CCOC(=O)C[C@@H](O)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879536178 582268003 /nfs/dbraw/zinc/26/80/03/582268003.db2.gz ITWNTSPWXUQFIP-BBBLOLIVSA-N 0 3 284.312 -1.153 20 0 CAADHN CN1CC[C@](O)(CNC(=O)Nc2ccc(=O)n(C)n2)C1 ZINC000879902433 582268380 /nfs/dbraw/zinc/26/83/80/582268380.db2.gz QSSCGEDYUWIEGI-LBPRGKRZSA-N 0 3 281.316 -1.032 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1COC(=O)N1 ZINC000879989150 582268495 /nfs/dbraw/zinc/26/84/95/582268495.db2.gz CNSGWWPHRQHZLW-BDAKNGLRSA-N 0 3 257.290 -1.332 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1COC(=O)N1 ZINC000879989151 582268525 /nfs/dbraw/zinc/26/85/25/582268525.db2.gz CNSGWWPHRQHZLW-IUCAKERBSA-N 0 3 257.290 -1.332 20 0 CAADHN CN1CCN(CC(=O)N[C@@H](CO)CN2CCCC2)CC1=O ZINC000879994550 582268541 /nfs/dbraw/zinc/26/85/41/582268541.db2.gz HQMDTECDVLEESV-GFCCVEGCSA-N 0 3 298.387 -1.667 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000879992701 582268588 /nfs/dbraw/zinc/26/85/88/582268588.db2.gz NJSHEDICXGRXTK-SNVBAGLBSA-N 0 3 272.349 -1.122 20 0 CAADHN CN1CCN(CC(=O)N[C@H](CO)CN2CCCC2)CC1=O ZINC000879994551 582268598 /nfs/dbraw/zinc/26/85/98/582268598.db2.gz HQMDTECDVLEESV-LBPRGKRZSA-N 0 3 298.387 -1.667 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1CCNC1=O ZINC000879990451 582268618 /nfs/dbraw/zinc/26/86/18/582268618.db2.gz CQTLAKMKOUNVFR-UWVGGRQHSA-N 0 3 255.318 -1.305 20 0 CAADHN CNS(=O)(=O)CCN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880072856 582268673 /nfs/dbraw/zinc/26/86/73/582268673.db2.gz MZZOLFPQLNVJDI-WDEREUQCSA-N 0 3 277.390 -1.324 20 0 CAADHN CN(CCS(N)(=O)=O)C[C@H](O)CN(C)C1CC1 ZINC000880085750 582268727 /nfs/dbraw/zinc/26/87/27/582268727.db2.gz UXDTXOVSKZQHFX-JTQLQIEISA-N 0 3 265.379 -1.338 20 0 CAADHN NC(=O)NC(=O)CN1C[C@@H]2CCCN2C[C@@H]1CO ZINC000880070871 582268865 /nfs/dbraw/zinc/26/88/65/582268865.db2.gz NBPJKTYGPLEEDO-DTWKUNHWSA-N 0 3 256.306 -1.678 20 0 CAADHN COC(=O)[C@]1(O)CCN(CCN2CCOCC2)C1 ZINC000880562108 582269664 /nfs/dbraw/zinc/26/96/64/582269664.db2.gz SVHOMHFQZIBQLU-LBPRGKRZSA-N 0 3 258.318 -1.072 20 0 CAADHN COC(=O)[C@@]1(O)CCN(CCN2CCOCC2)C1 ZINC000880562107 582269756 /nfs/dbraw/zinc/26/97/56/582269756.db2.gz SVHOMHFQZIBQLU-GFCCVEGCSA-N 0 3 258.318 -1.072 20 0 CAADHN COC(=O)[C@]1(O)CCN(C[C@@H](O)Cn2cccn2)C1 ZINC000880560350 582269786 /nfs/dbraw/zinc/26/97/86/582269786.db2.gz ALDDAWGARUHWQZ-PWSUYJOCSA-N 0 3 269.301 -1.146 20 0 CAADHN COC(=O)[C@@]1(O)CCN(CCC(=O)N2CCN(C)CC2)C1 ZINC000880567294 582270013 /nfs/dbraw/zinc/27/00/13/582270013.db2.gz YNRPSTAJCQTMAH-CQSZACIVSA-N 0 3 299.371 -1.240 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CC[C@](O)(C(=O)OC)C1 ZINC000880564902 582270029 /nfs/dbraw/zinc/27/00/29/582270029.db2.gz HCXDRLGHSLWWMZ-DGCLKSJQSA-N 0 3 290.360 -1.465 20 0 CAADHN CON(C)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000880644147 582270099 /nfs/dbraw/zinc/27/00/99/582270099.db2.gz CLPUGYSELPQOTL-LLVKDONJSA-N 0 3 256.350 -1.014 20 0 CAADHN Cn1c(CNC(=O)CCN2CCOCC2)n[nH]c1=O ZINC000880650010 582270118 /nfs/dbraw/zinc/27/01/18/582270118.db2.gz JFGZTOJGYPWJIN-UHFFFAOYSA-N 0 3 269.305 -1.141 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H]1CCNC1=O ZINC000880684766 582270140 /nfs/dbraw/zinc/27/01/40/582270140.db2.gz GVNIYRXPBAYQTP-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN COC(=O)[C@@]1(O)CCN(S(=O)(=O)CCCN(C)C)C1 ZINC000882835174 582271689 /nfs/dbraw/zinc/27/16/89/582271689.db2.gz ORFPLFPVQHGLEO-LLVKDONJSA-N 0 3 294.373 -1.122 20 0 CAADHN COC(=O)[C@]1(O)CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000882853759 582271816 /nfs/dbraw/zinc/27/18/16/582271816.db2.gz PRKUVAUNVBWWQI-RISCZKNCSA-N 0 3 297.355 -1.487 20 0 CAADHN COC(=O)[C@]1(O)CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000882853758 582271829 /nfs/dbraw/zinc/27/18/29/582271829.db2.gz PRKUVAUNVBWWQI-FZMZJTMJSA-N 0 3 297.355 -1.487 20 0 CAADHN COC(=O)[C@@]1(O)CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000882853760 582271855 /nfs/dbraw/zinc/27/18/55/582271855.db2.gz PRKUVAUNVBWWQI-SMDDNHRTSA-N 0 3 297.355 -1.487 20 0 CAADHN O=C([C@@H]1CCCN(CCn2cnnn2)C1)N1CCNCC1 ZINC000883415766 582272235 /nfs/dbraw/zinc/27/22/35/582272235.db2.gz DQEFUCNDUNBQTO-GFCCVEGCSA-N 0 3 293.375 -1.183 20 0 CAADHN O=C(C(=O)N1CCNCCC12CCC2)N1CCNC(=O)C1 ZINC000883656827 582272388 /nfs/dbraw/zinc/27/23/88/582272388.db2.gz KURYTQRBEKXXQQ-UHFFFAOYSA-N 0 3 294.355 -1.311 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)C[C@@H](CO)O1 ZINC000883649672 582272392 /nfs/dbraw/zinc/27/23/92/582272392.db2.gz DQDMLTMFLFHZSK-SRVKXCTJSA-N 0 3 299.371 -1.066 20 0 CAADHN CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)N(C)CCN ZINC000883663521 582272417 /nfs/dbraw/zinc/27/24/17/582272417.db2.gz LZYJGRAAKJNDDR-ZJUUUORDSA-N 0 3 273.333 -1.334 20 0 CAADHN CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N(C)CCN ZINC000883663518 582272451 /nfs/dbraw/zinc/27/24/51/582272451.db2.gz LZYJGRAAKJNDDR-NXEZZACHSA-N 0 3 273.333 -1.334 20 0 CAADHN CN1CCN(C(=O)C[C@H]2CCNC2=O)[C@@H](CN)C1 ZINC000884041767 582273043 /nfs/dbraw/zinc/27/30/43/582273043.db2.gz HLHDEERRHOOXSF-ZJUUUORDSA-N 0 3 254.334 -1.386 20 0 CAADHN CN1CCN(C(=O)C[C@H]2CCNC2=O)[C@H](CN)C1 ZINC000884041764 582273069 /nfs/dbraw/zinc/27/30/69/582273069.db2.gz HLHDEERRHOOXSF-NXEZZACHSA-N 0 3 254.334 -1.386 20 0 CAADHN CNC(=O)CNC(=O)c1ccnc(N2CCNCC2)c1 ZINC000884057530 582273269 /nfs/dbraw/zinc/27/32/69/582273269.db2.gz JIZGYNZWFXWJEP-UHFFFAOYSA-N 0 3 277.328 -1.033 20 0 CAADHN CC(C)N(C)CC(=O)N1CC2(C1)NC(=O)NC2=O ZINC000889306044 582273674 /nfs/dbraw/zinc/27/36/74/582273674.db2.gz LRLWIDRLONEFDN-UHFFFAOYSA-N 0 3 254.290 -1.253 20 0 CAADHN CCCN(C)CC(=O)N1CC2(C1)NC(=O)NC2=O ZINC000889306351 582273702 /nfs/dbraw/zinc/27/37/02/582273702.db2.gz XJCFNQJPNJTPLV-UHFFFAOYSA-N 0 3 254.290 -1.251 20 0 CAADHN CCN1C(=O)[C@H]2CN(C(=O)[C@H](CN)OC)CCN2C1=O ZINC000884170852 582273754 /nfs/dbraw/zinc/27/37/54/582273754.db2.gz HLJMBPOJGHGCGR-BDAKNGLRSA-N 0 3 284.316 -1.545 20 0 CAADHN COCC[C@H](N)C(=O)N1CCN(CCOC)C(=O)C1 ZINC000884330009 582274391 /nfs/dbraw/zinc/27/43/91/582274391.db2.gz ANVIWZVWDRFDQE-JTQLQIEISA-N 0 3 273.333 -1.333 20 0 CAADHN COCC[C@H](N)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000884331084 582274446 /nfs/dbraw/zinc/27/44/46/582274446.db2.gz FQLGVWPUVCGHSZ-UWVGGRQHSA-N 0 3 293.389 -1.158 20 0 CAADHN COCCOCCN1CCN(C(=O)[C@H](CN)OC)CC1 ZINC000884389405 582274594 /nfs/dbraw/zinc/27/45/94/582274594.db2.gz WZBPCUDKMSRCKU-LBPRGKRZSA-N 0 3 289.376 -1.233 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000884404960 582274807 /nfs/dbraw/zinc/27/48/07/582274807.db2.gz CHWLUAYKPUOTJB-MNOVXSKESA-N 0 3 257.334 -1.107 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@H](CN)OC)C[C@@H](C)O1 ZINC000884434972 582274815 /nfs/dbraw/zinc/27/48/15/582274815.db2.gz FDRZAKYJERPBGX-VGMNWLOBSA-N 0 3 260.290 -1.251 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000884431414 582274823 /nfs/dbraw/zinc/27/48/23/582274823.db2.gz SYTJDBCTOSTDDL-JTQLQIEISA-N 0 3 291.373 -1.404 20 0 CAADHN N[C@H](CC1CC1)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000884469998 582274953 /nfs/dbraw/zinc/27/49/53/582274953.db2.gz BTSYRLLQZINCAZ-RISCZKNCSA-N 0 3 297.355 -1.142 20 0 CAADHN COCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000884563069 582275472 /nfs/dbraw/zinc/27/54/72/582275472.db2.gz VAKFMKMVGRSXEK-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN)[C@@H]1CN(C)CCO1 ZINC000884571444 582275553 /nfs/dbraw/zinc/27/55/53/582275553.db2.gz PONCXWIICTYDMU-TUAOUCFPSA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN)[C@H]1CN(C)CCO1 ZINC000884571443 582275558 /nfs/dbraw/zinc/27/55/58/582275558.db2.gz PONCXWIICTYDMU-QJPTWQEYSA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]1CN ZINC000884577383 582275597 /nfs/dbraw/zinc/27/55/97/582275597.db2.gz DOEAUYLOWLCREM-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN Cn1nccc1CNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000884626455 582275644 /nfs/dbraw/zinc/27/56/44/582275644.db2.gz LZZXIYMKSJXQTO-SECBINFHSA-N 0 3 265.317 -1.014 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCc2ncncc2C1 ZINC000884692898 582276203 /nfs/dbraw/zinc/27/62/03/582276203.db2.gz CXZKOOMCWGCJOE-UHFFFAOYSA-N 0 3 261.285 -1.551 20 0 CAADHN O=C(NC1CNC1)C(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000884692821 582276207 /nfs/dbraw/zinc/27/62/07/582276207.db2.gz ADJQUJQVRYRVMF-OCAPTIKFSA-N 0 3 255.343 -1.104 20 0 CAADHN CN1CCN(C(=O)C(=O)NC2CNC2)Cc2cccnc21 ZINC000884692977 582276222 /nfs/dbraw/zinc/27/62/22/582276222.db2.gz GSSLHBIZDQHEIA-UHFFFAOYSA-N 0 3 289.339 -1.052 20 0 CAADHN C[C@@H](NC(=O)C(=O)NC1CNC1)c1ccnn1C ZINC000884693342 582276228 /nfs/dbraw/zinc/27/62/28/582276228.db2.gz VVLKHKWYIYBGJP-SSDOTTSWSA-N 0 3 251.290 -1.315 20 0 CAADHN CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)C(=O)NC1CNC1 ZINC000884692819 582276243 /nfs/dbraw/zinc/27/62/43/582276243.db2.gz ABJYEZZKZMIMTN-ZJUUUORDSA-N 0 3 280.328 -1.704 20 0 CAADHN CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)NC1CNC1 ZINC000884693126 582276249 /nfs/dbraw/zinc/27/62/49/582276249.db2.gz MRURQGNMDOZTRF-ZJUUUORDSA-N 0 3 271.317 -1.663 20 0 CAADHN CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)N[C@@H](C)CN ZINC000884705403 582276399 /nfs/dbraw/zinc/27/63/99/582276399.db2.gz STYSDRKMFSAJRP-GUBZILKMSA-N 0 3 273.333 -1.288 20 0 CAADHN CO[C@H]1COCC[C@@H]1N(C)C(=O)C(=O)N[C@H](C)CN ZINC000884704788 582276439 /nfs/dbraw/zinc/27/64/39/582276439.db2.gz STYSDRKMFSAJRP-UTLUCORTSA-N 0 3 273.333 -1.288 20 0 CAADHN CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N[C@@H](C)CN ZINC000884705405 582276445 /nfs/dbraw/zinc/27/64/45/582276445.db2.gz STYSDRKMFSAJRP-LPEHRKFASA-N 0 3 273.333 -1.288 20 0 CAADHN CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)N[C@H](C)CN ZINC000884704786 582276448 /nfs/dbraw/zinc/27/64/48/582276448.db2.gz STYSDRKMFSAJRP-KXUCPTDWSA-N 0 3 273.333 -1.288 20 0 CAADHN CC(C)OCCNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000884725591 582276533 /nfs/dbraw/zinc/27/65/33/582276533.db2.gz PGWSWHJCHKTARG-SNVBAGLBSA-N 0 3 273.333 -1.368 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000884726665 582276579 /nfs/dbraw/zinc/27/65/79/582276579.db2.gz ZGONYFXWGUOETK-NOOOWODRSA-N 0 3 297.355 -1.680 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000884726666 582276613 /nfs/dbraw/zinc/27/66/13/582276613.db2.gz ZGONYFXWGUOETK-WISYIIOYSA-N 0 3 297.355 -1.680 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000885230015 582277090 /nfs/dbraw/zinc/27/70/90/582277090.db2.gz DBZTYWWHKDZPPH-GXSJLCMTSA-N 0 3 296.371 -1.081 20 0 CAADHN COC[C@H](NC(=O)C(=O)N(C)CCN)[C@H]1CCCOC1 ZINC000885307392 582277191 /nfs/dbraw/zinc/27/71/91/582277191.db2.gz DYDUPZOMDOBVLZ-QWRGUYRKSA-N 0 3 287.360 -1.039 20 0 CAADHN COC[C@@H](NC(=O)C(=O)N(C)CCN)[C@H]1CCCOC1 ZINC000885307393 582277272 /nfs/dbraw/zinc/27/72/72/582277272.db2.gz DYDUPZOMDOBVLZ-WDEREUQCSA-N 0 3 287.360 -1.039 20 0 CAADHN CCN(CC)CC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886189565 582278624 /nfs/dbraw/zinc/27/86/24/582278624.db2.gz PEALQGLSTGBRKC-JTQLQIEISA-N 0 3 290.389 -1.311 20 0 CAADHN CCCN(C)CC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886189701 582278645 /nfs/dbraw/zinc/27/86/45/582278645.db2.gz RYUGXHBENPPARO-JTQLQIEISA-N 0 3 290.389 -1.311 20 0 CAADHN Cn1nccc1[C@@H](O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000886253395 582278727 /nfs/dbraw/zinc/27/87/27/582278727.db2.gz VJNCSGRMXRTXQT-OLZOCXBDSA-N 0 3 293.371 -1.040 20 0 CAADHN Cn1nccc1[C@H](O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000886253396 582278773 /nfs/dbraw/zinc/27/87/73/582278773.db2.gz VJNCSGRMXRTXQT-QWHCGFSZSA-N 0 3 293.371 -1.040 20 0 CAADHN CN(CC(=O)NC1CCN(C)CC1)[C@@H]1COC[C@H]1O ZINC000886517562 582278892 /nfs/dbraw/zinc/27/88/92/582278892.db2.gz IJUBPMGLEIJERX-VXGBXAGGSA-N 0 3 271.361 -1.112 20 0 CAADHN CN(CCN)C(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000887065019 582280505 /nfs/dbraw/zinc/28/05/05/582280505.db2.gz UKCZHEHCJNSRBA-AEJSXWLSSA-N 0 3 255.318 -1.367 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)C[C@H](CO)O1 ZINC000887088020 582280744 /nfs/dbraw/zinc/28/07/44/582280744.db2.gz JUVGZRVPNYDFAV-HBNTYKKESA-N 0 3 285.344 -1.456 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000887088208 582280757 /nfs/dbraw/zinc/28/07/57/582280757.db2.gz YFZVVTWEAVCQAX-NEPJUHHUSA-N 0 3 296.371 -1.521 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCNC(=O)C1 ZINC000887083251 582280764 /nfs/dbraw/zinc/28/07/64/582280764.db2.gz VFYCFHXQGNAXAL-MRVPVSSYSA-N 0 3 254.290 -2.106 20 0 CAADHN C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CCO1 ZINC000887089787 582280807 /nfs/dbraw/zinc/28/08/07/582280807.db2.gz UCPFITDLMLXCDQ-AXFHLTTASA-N 0 3 285.344 -1.456 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)C[C@@H](CO)O1 ZINC000887088019 582280809 /nfs/dbraw/zinc/28/08/09/582280809.db2.gz JUVGZRVPNYDFAV-AXFHLTTASA-N 0 3 285.344 -1.456 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCC[C@@H](O)C1 ZINC000887082897 582280815 /nfs/dbraw/zinc/28/08/15/582280815.db2.gz JWDUFVIWUQLYSF-NXEZZACHSA-N 0 3 255.318 -1.081 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@]2(C)CCNC2=O)CC1=O ZINC000889038499 582280820 /nfs/dbraw/zinc/28/08/20/582280820.db2.gz KDSMCYQCEFRFIU-HZMBPMFUSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)CC(=O)N[C@H]1COC[C@H]1NC(=O)CN(C)C ZINC000888041784 582281100 /nfs/dbraw/zinc/28/11/00/582281100.db2.gz NELLXVAPZJCDFN-AOOOYVTPSA-N 0 3 272.349 -1.891 20 0 CAADHN COCCN1CCN(C(=O)NCc2n[nH]c(=O)n2C)CC1 ZINC000889594599 582281472 /nfs/dbraw/zinc/28/14/72/582281472.db2.gz ASAXAGMAMYNOSA-UHFFFAOYSA-N 0 3 298.347 -1.006 20 0 CAADHN O=C([C@H]1CC(=O)N1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000889751535 582281486 /nfs/dbraw/zinc/28/14/86/582281486.db2.gz RFGDYFIWOKBEFE-MXWKQRLJSA-N 0 3 267.329 -1.068 20 0 CAADHN O=C([C@H]1CC(=O)N1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889751539 582281542 /nfs/dbraw/zinc/28/15/42/582281542.db2.gz RFGDYFIWOKBEFE-VWYCJHECSA-N 0 3 267.329 -1.068 20 0 CAADHN Cn1nnnc1CCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000890091998 582281605 /nfs/dbraw/zinc/28/16/05/582281605.db2.gz VRHWRKOHDIAAAA-LLVKDONJSA-N 0 3 293.375 -1.351 20 0 CAADHN CC(C)(C)n1nnc(C(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000968748877 614067290 /nfs/dbraw/zinc/06/72/90/614067290.db2.gz PIYDGSJSTAMWOX-MRVPVSSYSA-N 0 3 295.347 -1.283 20 0 CAADHN COc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)nn1 ZINC000958571349 617229544 /nfs/dbraw/zinc/22/95/44/617229544.db2.gz VQZALRAPPLHTQJ-KOLCDFICSA-N 0 3 296.327 -1.500 20 0 CAADHN COc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)nn1 ZINC000958571348 617230494 /nfs/dbraw/zinc/23/04/94/617230494.db2.gz VQZALRAPPLHTQJ-GXSJLCMTSA-N 0 3 296.327 -1.500 20 0 CAADHN COc1ccc(CNCC2CC(NC(=O)C(N)=O)C2)nn1 ZINC000962250805 617257461 /nfs/dbraw/zinc/25/74/61/617257461.db2.gz FIATYQXTGNHWDM-UHFFFAOYSA-N 0 3 293.327 -1.045 20 0 CAADHN COc1cnc(C(=O)N2CC[C@@H](NCC(N)=O)C2)nc1 ZINC000969284032 617328978 /nfs/dbraw/zinc/32/89/78/617328978.db2.gz NBSFCQFUARPLBB-MRVPVSSYSA-N 0 3 279.300 -1.225 20 0 CAADHN COc1cnc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)nc1 ZINC000958243946 617329940 /nfs/dbraw/zinc/32/99/40/617329940.db2.gz NJGQVCVYEKAWLK-ONGXEEELSA-N 0 3 296.327 -1.500 20 0 CAADHN COc1cnc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)nc1 ZINC000958243943 617329969 /nfs/dbraw/zinc/32/99/69/617329969.db2.gz NJGQVCVYEKAWLK-GXSJLCMTSA-N 0 3 296.327 -1.500 20 0 CAADHN COc1cnc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)nc1 ZINC000958243944 617329766 /nfs/dbraw/zinc/32/97/66/617329766.db2.gz NJGQVCVYEKAWLK-KOLCDFICSA-N 0 3 296.327 -1.500 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1 ZINC000962438170 613434407 /nfs/dbraw/zinc/43/44/07/613434407.db2.gz NJWCKKVJUUCBMD-XQHKEYJVSA-N 0 3 297.355 -1.728 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970590844 613522555 /nfs/dbraw/zinc/52/25/55/613522555.db2.gz IOOZTTYFHFGXOE-WDEREUQCSA-N 0 3 282.344 -1.469 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)C1 ZINC000958014752 613760606 /nfs/dbraw/zinc/76/06/06/613760606.db2.gz IWDBBDRIYTVGCZ-PWSUYJOCSA-N 0 3 285.344 -2.134 20 0 CAADHN CC(=O)N1CCC(O)(CN[C@H]2CCNC2=O)CC1 ZINC000946913434 613814812 /nfs/dbraw/zinc/81/48/12/613814812.db2.gz KTACAMOWFRDQRJ-JTQLQIEISA-N 0 3 255.318 -1.162 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970527083 613874766 /nfs/dbraw/zinc/87/47/66/613874766.db2.gz MJKIUKVXYLWGSA-MNOVXSKESA-N 0 3 282.344 -1.327 20 0 CAADHN CC(=O)NC[C@H]1CN(CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC000957788771 613928233 /nfs/dbraw/zinc/92/82/33/613928233.db2.gz NQOBLTASOJWVBZ-QWRGUYRKSA-N 0 3 298.343 -1.643 20 0 CAADHN CC(=O)NC[C@H]1CN(CCn2cncn2)C[C@H]1O ZINC000957789868 613929204 /nfs/dbraw/zinc/92/92/04/613929204.db2.gz ZUWXVCCOAQSJJY-WDEREUQCSA-N 0 3 253.306 -1.293 20 0 CAADHN CC(C)[C@H](C(=O)N1CC(N(C)C(=O)C(N)=O)C1)N(C)C ZINC000955158612 614187665 /nfs/dbraw/zinc/18/76/65/614187665.db2.gz PIOXPZSPCHXQSI-SNVBAGLBSA-N 0 3 284.360 -1.273 20 0 CAADHN CC(C)[C@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC000938582457 614189541 /nfs/dbraw/zinc/18/95/41/614189541.db2.gz QZCZKZBTVPUJBM-VHSXEESVSA-N 0 3 284.360 -1.225 20 0 CAADHN CC(C)n1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)nn1 ZINC000958549583 614352981 /nfs/dbraw/zinc/35/29/81/614352981.db2.gz ZKOLUDNWLNOIPA-CMPLNLGQSA-N 0 3 297.359 -1.126 20 0 CAADHN CC(C)n1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)nn1 ZINC000958549585 614353245 /nfs/dbraw/zinc/35/32/45/614353245.db2.gz ZKOLUDNWLNOIPA-PWSUYJOCSA-N 0 3 297.359 -1.126 20 0 CAADHN CC(C)n1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)nn1 ZINC000958549584 614353261 /nfs/dbraw/zinc/35/32/61/614353261.db2.gz ZKOLUDNWLNOIPA-JQWIXIFHSA-N 0 3 297.359 -1.126 20 0 CAADHN CC1CCN(CC(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)CC1 ZINC000942307891 614432523 /nfs/dbraw/zinc/43/25/23/614432523.db2.gz NGMOAJZZGZTUJI-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CCCn1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)nn1 ZINC000958552573 614519293 /nfs/dbraw/zinc/51/92/93/614519293.db2.gz VSRLPKHRFXMLFM-JQWIXIFHSA-N 0 3 297.359 -1.297 20 0 CAADHN CCCn1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)nn1 ZINC000958552572 614519325 /nfs/dbraw/zinc/51/93/25/614519325.db2.gz VSRLPKHRFXMLFM-CMPLNLGQSA-N 0 3 297.359 -1.297 20 0 CAADHN CC1(C)CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1 ZINC000973533542 614541126 /nfs/dbraw/zinc/54/11/26/614541126.db2.gz BYYUQWHLCYUMND-MGCOHNPYSA-N 0 3 296.371 -1.033 20 0 CAADHN CC1(C)CN(CCCO)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974608729 614640281 /nfs/dbraw/zinc/64/02/81/614640281.db2.gz XZDWRVKMXZZCMQ-JTQLQIEISA-N 0 3 282.348 -1.118 20 0 CAADHN CC1(C)CN(CCCO)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974993868 614642122 /nfs/dbraw/zinc/64/21/22/614642122.db2.gz JHMTVCWMEPEPNE-VHSXEESVSA-N 0 3 284.360 -1.123 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974993855 614661612 /nfs/dbraw/zinc/66/16/12/614661612.db2.gz JFJKUIGUZBBTKK-IUCAKERBSA-N 0 3 270.333 -1.513 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)[C@@H]1CCNC1=O ZINC000974907381 614661646 /nfs/dbraw/zinc/66/16/46/614661646.db2.gz YYCKOADRSSOENN-ZJUUUORDSA-N 0 3 269.345 -1.059 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000972792902 614661783 /nfs/dbraw/zinc/66/17/83/614661783.db2.gz CNOZOFNXQGYBFB-VIFPVBQESA-N 0 3 268.321 -1.508 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000974602442 614662331 /nfs/dbraw/zinc/66/23/31/614662331.db2.gz KQJVMFDILUPLBS-VIFPVBQESA-N 0 3 268.321 -1.508 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000974472337 614662367 /nfs/dbraw/zinc/66/23/67/614662367.db2.gz LMQRHMDCFFFDSW-VIFPVBQESA-N 0 3 283.332 -1.197 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974491114 614662383 /nfs/dbraw/zinc/66/23/83/614662383.db2.gz LILKZUKCSBECSK-IUCAKERBSA-N 0 3 271.317 -1.086 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000977330487 614664386 /nfs/dbraw/zinc/66/43/86/614664386.db2.gz UFPMQIOBJIHFCF-SNVBAGLBSA-N 0 3 297.355 -1.142 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC000977572175 614665017 /nfs/dbraw/zinc/66/50/17/614665017.db2.gz JOPIHBJGYJBJRO-SNVBAGLBSA-N 0 3 297.355 -1.046 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)Cn1ncnn1 ZINC000974602437 614665231 /nfs/dbraw/zinc/66/52/31/614665231.db2.gz KQJVMFDILUPLBS-SECBINFHSA-N 0 3 268.321 -1.508 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)CN1CN=NC1=O ZINC000974472335 614665581 /nfs/dbraw/zinc/66/55/81/614665581.db2.gz LMQRHMDCFFFDSW-SECBINFHSA-N 0 3 283.332 -1.197 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974993857 614665906 /nfs/dbraw/zinc/66/59/06/614665906.db2.gz JFJKUIGUZBBTKK-RKDXNWHRSA-N 0 3 270.333 -1.513 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC000975039627 614666171 /nfs/dbraw/zinc/66/61/71/614666171.db2.gz RGFAIPHNHMTPNE-KXUCPTDWSA-N 0 3 269.345 -1.073 20 0 CAADHN CCN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)C(N)=O)C1 ZINC000967842206 614671242 /nfs/dbraw/zinc/67/12/42/614671242.db2.gz XKKWOMOOVJUWOK-SNVBAGLBSA-N 0 3 282.344 -1.375 20 0 CAADHN CCN1CC([C@@H](C)NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000970922747 615092683 /nfs/dbraw/zinc/09/26/83/615092683.db2.gz AVTUSKSBCOBEDZ-MRVPVSSYSA-N 0 3 280.332 -1.167 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970765179 615169628 /nfs/dbraw/zinc/16/96/28/615169628.db2.gz HCDDDJPIDNQPCP-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC000968125544 615235888 /nfs/dbraw/zinc/23/58/88/615235888.db2.gz ZGJWSYMHWSRBFK-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CC[C@@H](C(=O)N1CCC(NC(=O)C(N)=O)CC1)N(C)C ZINC000947518873 615369171 /nfs/dbraw/zinc/36/91/71/615369171.db2.gz MIVJIKONEOHOEU-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)N(C)C ZINC000942301799 615373642 /nfs/dbraw/zinc/37/36/42/615373642.db2.gz AZQBDIJOYOPFPN-BDAKNGLRSA-N 0 3 270.333 -1.471 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)C(N)=O)C1)N(C)C ZINC000938915207 615374240 /nfs/dbraw/zinc/37/42/40/615374240.db2.gz AWJUTXDJXUWCDJ-ZJUUUORDSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC000939693102 615377791 /nfs/dbraw/zinc/37/77/91/615377791.db2.gz YCHPQQSCGBCNDR-BBBLOLIVSA-N 0 3 284.360 -1.225 20 0 CAADHN CCOc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)[nH]n1 ZINC000958167798 615505537 /nfs/dbraw/zinc/50/55/37/615505537.db2.gz PTFPFDHRACVWBE-MWLCHTKSSA-N 0 3 298.343 -1.177 20 0 CAADHN CCOc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)[nH]n1 ZINC000958167799 615505803 /nfs/dbraw/zinc/50/58/03/615505803.db2.gz PTFPFDHRACVWBE-ONGXEEELSA-N 0 3 298.343 -1.177 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)C(N)=O ZINC000969787006 615537608 /nfs/dbraw/zinc/53/76/08/615537608.db2.gz ZVDAFAJYIQMLAQ-RKDXNWHRSA-N 0 3 282.344 -1.294 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CN2CCOCC2)C1)C(N)=O ZINC000968451659 615537874 /nfs/dbraw/zinc/53/78/74/615537874.db2.gz XLQKEQJPBUJUEJ-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)Cn2cnnn2)C1)C(N)=O ZINC000966892965 615537884 /nfs/dbraw/zinc/53/78/84/615537884.db2.gz XNBSDRZTIBLQCQ-RKDXNWHRSA-N 0 3 281.320 -1.873 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)Cn2nccn2)C1)C(N)=O ZINC000968801980 615537933 /nfs/dbraw/zinc/53/79/33/615537933.db2.gz BHCCVPWGZGBESO-NXEZZACHSA-N 0 3 280.332 -1.268 20 0 CAADHN CC[C@@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCNC1=O ZINC000968971358 615594286 /nfs/dbraw/zinc/59/42/86/615594286.db2.gz ZSKQCWKPUNCOCC-NOZJJQNGSA-N 0 3 282.344 -1.422 20 0 CAADHN CC[C@H](C(=O)N1CCC(NC(=O)C(N)=O)CC1)N(C)C ZINC000947255402 615600373 /nfs/dbraw/zinc/60/03/73/615600373.db2.gz MIVJIKONEOHOEU-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN CCc1c(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cnn1C ZINC000958210948 615603802 /nfs/dbraw/zinc/60/38/02/615603802.db2.gz UYRWKALFVYHNPP-ZWNOBZJWSA-N 0 3 296.371 -1.003 20 0 CAADHN CCc1c(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cnn1C ZINC000958210945 615604327 /nfs/dbraw/zinc/60/43/27/615604327.db2.gz UYRWKALFVYHNPP-GWCFXTLKSA-N 0 3 296.371 -1.003 20 0 CAADHN CC[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC000939692134 615604662 /nfs/dbraw/zinc/60/46/62/615604662.db2.gz YCHPQQSCGBCNDR-OPRDCNLKSA-N 0 3 284.360 -1.225 20 0 CAADHN CCn1ccnc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958020746 615609788 /nfs/dbraw/zinc/60/97/88/615609788.db2.gz UAOBEMLKETXNGJ-MNOVXSKESA-N 0 3 282.344 -1.082 20 0 CAADHN CCn1ccnc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958020747 615610125 /nfs/dbraw/zinc/61/01/25/615610125.db2.gz UAOBEMLKETXNGJ-QWRGUYRKSA-N 0 3 282.344 -1.082 20 0 CAADHN CCn1cnc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)c1 ZINC000958594798 615622070 /nfs/dbraw/zinc/62/20/70/615622070.db2.gz MBMOLYUVOKIYBB-PWSUYJOCSA-N 0 3 282.344 -1.082 20 0 CAADHN CCc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)[nH]n1 ZINC000957894646 615625138 /nfs/dbraw/zinc/62/51/38/615625138.db2.gz MZRVGAQBKDEOKU-SKDRFNHKSA-N 0 3 282.344 -1.013 20 0 CAADHN CCc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)nn1C ZINC000958758491 615625304 /nfs/dbraw/zinc/62/53/04/615625304.db2.gz HTWSRUYMXMWKID-MFKMUULPSA-N 0 3 296.371 -1.003 20 0 CAADHN CCc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n(C)n1 ZINC000958502883 615626341 /nfs/dbraw/zinc/62/63/41/615626341.db2.gz MCOVUZJWGWMBIL-GWCFXTLKSA-N 0 3 296.371 -1.003 20 0 CAADHN CCc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)[nH]n1 ZINC000957894644 615626351 /nfs/dbraw/zinc/62/63/51/615626351.db2.gz MZRVGAQBKDEOKU-CABZTGNLSA-N 0 3 282.344 -1.013 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)n1 ZINC000968586619 615681341 /nfs/dbraw/zinc/68/13/41/615681341.db2.gz SGEWPAMTHVKUKD-ZJUUUORDSA-N 0 3 292.343 -1.009 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)n1 ZINC000968586812 615681437 /nfs/dbraw/zinc/68/14/37/615681437.db2.gz XOULNHKWLSYCGE-RKDXNWHRSA-N 0 3 280.332 -1.024 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H]2CN(CCOC)C[C@@H]2O)n1 ZINC000958046716 615685787 /nfs/dbraw/zinc/68/57/87/615685787.db2.gz KTOBMKAKLQRRHG-PWSUYJOCSA-N 0 3 297.359 -1.033 20 0 CAADHN CCn1ncc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)n1 ZINC000958788691 615692276 /nfs/dbraw/zinc/69/22/76/615692276.db2.gz YYEXFXYGQZOPHG-JZYVYDRUSA-N 0 3 265.317 -1.050 20 0 CAADHN CCn1nccc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958004106 615721269 /nfs/dbraw/zinc/72/12/69/615721269.db2.gz DGRXEDUEJBJJJC-PWSUYJOCSA-N 0 3 282.344 -1.082 20 0 CAADHN CCn1nccc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958004104 615721781 /nfs/dbraw/zinc/72/17/81/615721781.db2.gz DGRXEDUEJBJJJC-CMPLNLGQSA-N 0 3 282.344 -1.082 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958203733 615721921 /nfs/dbraw/zinc/72/19/21/615721921.db2.gz UJTACORPXSUVSJ-CABZTGNLSA-N 0 3 282.344 -1.013 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968590095 615746292 /nfs/dbraw/zinc/74/62/92/615746292.db2.gz YPKNHNRKCOMBFD-MRVPVSSYSA-N 0 3 266.305 -1.413 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC000968589936 615746484 /nfs/dbraw/zinc/74/64/84/615746484.db2.gz RCWOYSJNAPCABO-DTWKUNHWSA-N 0 3 280.332 -1.024 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H]1CN(CCOC)C[C@@H]1O ZINC000958024753 615748161 /nfs/dbraw/zinc/74/81/61/615748161.db2.gz JCOWIZLPQXVFPR-PWSUYJOCSA-N 0 3 297.359 -1.033 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958051600 615748215 /nfs/dbraw/zinc/74/82/15/615748215.db2.gz RGUCFYBCSGPWIN-KOLCDFICSA-N 0 3 283.332 -1.687 20 0 CAADHN CCn1nncc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958051599 615748507 /nfs/dbraw/zinc/74/85/07/615748507.db2.gz RGUCFYBCSGPWIN-GXSJLCMTSA-N 0 3 283.332 -1.687 20 0 CAADHN CCn1nncc1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958791094 615750761 /nfs/dbraw/zinc/75/07/61/615750761.db2.gz PYFMSUXFQBYUEK-JZYVYDRUSA-N 0 3 265.317 -1.050 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958631714 615766738 /nfs/dbraw/zinc/76/67/38/615766738.db2.gz VLYWQHOZVJEVMV-GXSJLCMTSA-N 0 3 282.344 -1.013 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958631717 615766788 /nfs/dbraw/zinc/76/67/88/615766788.db2.gz VLYWQHOZVJEVMV-ONGXEEELSA-N 0 3 282.344 -1.013 20 0 CAADHN CN(C(=O)C(N)=O)C1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC000955161663 615774653 /nfs/dbraw/zinc/77/46/53/615774653.db2.gz MBQFQHJVQMEXNV-UHFFFAOYSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C(=O)C(N)=O)C1CN(C(=O)CN2CCCC2)C1 ZINC000955160891 615774791 /nfs/dbraw/zinc/77/47/91/615774791.db2.gz AMJRCDXMGZHMDV-UHFFFAOYSA-N 0 3 268.317 -1.763 20 0 CAADHN CN(C(=O)C(N)=O)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000955159738 615775176 /nfs/dbraw/zinc/77/51/76/615775176.db2.gz HPSVNMZWKJTHKU-SECBINFHSA-N 0 3 268.317 -1.765 20 0 CAADHN CN(C)[C@H](C(=O)N1CC(N(C)C(=O)C(N)=O)C1)C1CC1 ZINC000955161196 615775179 /nfs/dbraw/zinc/77/51/79/615775179.db2.gz HQHWTVUKZKYYQV-JTQLQIEISA-N 0 3 282.344 -1.519 20 0 CAADHN CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938544181 615776814 /nfs/dbraw/zinc/77/68/14/615776814.db2.gz LMQXWZRIBYVKFE-SNVBAGLBSA-N 0 3 282.344 -1.373 20 0 CAADHN CCc1nn(C)cc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958163820 615795711 /nfs/dbraw/zinc/79/57/11/615795711.db2.gz GBSKPCKXVJHGSN-GWCFXTLKSA-N 0 3 296.371 -1.003 20 0 CAADHN CN(C(=O)CN1CCCC1)C1CN(C(=O)C(N)=O)C1 ZINC000954323472 615814396 /nfs/dbraw/zinc/81/43/96/615814396.db2.gz HEDTVOBWRXNQHY-UHFFFAOYSA-N 0 3 268.317 -1.763 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)C(N)=O ZINC000968986386 615821676 /nfs/dbraw/zinc/82/16/76/615821676.db2.gz JBYZUSNYXMIEBE-BDAKNGLRSA-N 0 3 284.360 -1.048 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1)C(N)=O ZINC000968513775 615822131 /nfs/dbraw/zinc/82/21/31/615822131.db2.gz ARGALSDKLWNJJO-NEPJUHHUSA-N 0 3 296.371 -1.081 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CCn2cnnn2)C1)C(N)=O ZINC000970325912 615822244 /nfs/dbraw/zinc/82/22/44/615822244.db2.gz QREWVYAMDPSZCT-ZJUUUORDSA-N 0 3 295.347 -1.482 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)C(N)=O ZINC000967751458 615822711 /nfs/dbraw/zinc/82/27/11/615822711.db2.gz VSBOGXIFXNOQIM-KXUCPTDWSA-N 0 3 282.344 -1.281 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)Cn2cncn2)C1)C(N)=O ZINC000970660295 615822713 /nfs/dbraw/zinc/82/27/13/615822713.db2.gz HAFRZDFMFWMOBG-ZJUUUORDSA-N 0 3 280.332 -1.268 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)c2cnn(C)n2)C1)C(N)=O ZINC000970257690 615823055 /nfs/dbraw/zinc/82/30/55/615823055.db2.gz RCVUPTLORFGELE-BDAKNGLRSA-N 0 3 280.332 -1.117 20 0 CAADHN CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)CC(N)=O)C1 ZINC000953898252 615881876 /nfs/dbraw/zinc/88/18/76/615881876.db2.gz MFUUBZOQYOFURF-SNVBAGLBSA-N 0 3 282.344 -1.375 20 0 CAADHN CCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)nn1 ZINC000970362358 615939907 /nfs/dbraw/zinc/93/99/07/615939907.db2.gz RPPRQHSQEQUVBB-MRVPVSSYSA-N 0 3 266.305 -1.413 20 0 CAADHN CCn1cc(C(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)nn1 ZINC000970360705 615940483 /nfs/dbraw/zinc/94/04/83/615940483.db2.gz TVECJNNFLQGTBZ-DTWKUNHWSA-N 0 3 280.332 -1.024 20 0 CAADHN CCn1cc(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)nn1 ZINC000939429088 615942609 /nfs/dbraw/zinc/94/26/09/615942609.db2.gz GORVZUZVHARQKS-RKDXNWHRSA-N 0 3 280.332 -1.167 20 0 CAADHN CCn1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)nn1 ZINC000958549481 615949808 /nfs/dbraw/zinc/94/98/08/615949808.db2.gz XOXLFHMOYSWJRW-GXSJLCMTSA-N 0 3 283.332 -1.687 20 0 CAADHN CN(C)C(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962252894 615965089 /nfs/dbraw/zinc/96/50/89/615965089.db2.gz QWOYOSKWDYBQOZ-WOFXILAISA-N 0 3 292.343 -1.518 20 0 CAADHN CCn1cc(CC(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)nn1 ZINC000969424311 615968101 /nfs/dbraw/zinc/96/81/01/615968101.db2.gz LFNUKGLFGRSNTI-VHSXEESVSA-N 0 3 294.359 -1.095 20 0 CAADHN CN(C)[C@@H](C(=O)N1CCC[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC000951097774 615971512 /nfs/dbraw/zinc/97/15/12/615971512.db2.gz VKZQRQORNPUGRE-WDEREUQCSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C)[C@@H](C(=O)N1CCCN(C(=O)C(N)=O)CC1)C1CC1 ZINC000941351071 615971869 /nfs/dbraw/zinc/97/18/69/615971869.db2.gz GMKUKTCOTGXCGB-LLVKDONJSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C)[C@@H](C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1)C1CC1 ZINC000942308009 615971967 /nfs/dbraw/zinc/97/19/67/615971967.db2.gz MUJJLKZLCBGPCE-NXEZZACHSA-N 0 3 282.344 -1.471 20 0 CAADHN CN(C)[C@@H](C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1)C1CC1 ZINC000970201827 615972197 /nfs/dbraw/zinc/97/21/97/615972197.db2.gz HDMVWCYAFHGZPM-KXUCPTDWSA-N 0 3 298.343 -2.500 20 0 CAADHN CCn1cc(CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)nn1 ZINC000961332541 615977728 /nfs/dbraw/zinc/97/77/28/615977728.db2.gz RMIXVEOGHJJLPP-PJXYFTJBSA-N 0 3 279.344 -1.121 20 0 CAADHN CCn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)cn1 ZINC000961645315 615981314 /nfs/dbraw/zinc/98/13/14/615981314.db2.gz FWEXRUIOPMXMHL-GDNZZTSVSA-N 0 3 291.355 -1.023 20 0 CAADHN CN(C)[C@H](C(=O)N1CCC(NC(=O)C(N)=O)CC1)C1CC1 ZINC000947072755 615987123 /nfs/dbraw/zinc/98/71/23/615987123.db2.gz IOAMCMUVUKYDKJ-NSHDSACASA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C)[C@H](C(=O)N1CCN(CC(N)=O)CC1)C1CC1 ZINC000948759670 615987551 /nfs/dbraw/zinc/98/75/51/615987551.db2.gz GFRLXKLIADUNCO-LBPRGKRZSA-N 0 3 268.361 -1.044 20 0 CAADHN CN(C)[C@H](C(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1)C1CC1 ZINC000951097770 615987738 /nfs/dbraw/zinc/98/77/38/615987738.db2.gz VKZQRQORNPUGRE-MNOVXSKESA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C)[C@H](C(=O)N1CC[C@@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC000938683364 615987837 /nfs/dbraw/zinc/98/78/37/615987837.db2.gz KDNODOZLXXYXBM-MNOVXSKESA-N 0 3 296.371 -1.129 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969971148 616003526 /nfs/dbraw/zinc/00/35/26/616003526.db2.gz WHVIPOFYUGKVKL-BBBLOLIVSA-N 0 3 282.344 -1.614 20 0 CAADHN CN(CC(=O)N1CC(N(C)C(=O)C(N)=O)C1)C1CCC1 ZINC000955164011 616042296 /nfs/dbraw/zinc/04/22/96/616042296.db2.gz VOLJVMGRZOTUHM-UHFFFAOYSA-N 0 3 282.344 -1.375 20 0 CAADHN CN(CC(N)=O)[C@@H]1CCN(C(=O)C2=NC(=O)N(C)C2)C1 ZINC000972244550 616054602 /nfs/dbraw/zinc/05/46/02/616054602.db2.gz FCVZCZSWJWGOTM-MRVPVSSYSA-N 0 3 281.316 -1.243 20 0 CAADHN CN(Cc1ccn(C)c(=O)c1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972209079 616083531 /nfs/dbraw/zinc/08/35/31/616083531.db2.gz GIFRZEPPFKRFQW-LLVKDONJSA-N 0 3 292.339 -1.097 20 0 CAADHN C[N@H+]([C@H]1CCN(C(=O)Cc2nnc[n-]2)C1)[C@H]1CCNC1=O ZINC000972692695 616116566 /nfs/dbraw/zinc/11/65/66/616116566.db2.gz GMCBPRVDXCVOLA-UWVGGRQHSA-N 0 3 292.343 -1.232 20 0 CAADHN C[N@@H+]([C@H]1CCN(C(=O)Cc2nnc[n-]2)C1)[C@H]1CCNC1=O ZINC000972692695 616116567 /nfs/dbraw/zinc/11/65/67/616116567.db2.gz GMCBPRVDXCVOLA-UWVGGRQHSA-N 0 3 292.343 -1.232 20 0 CAADHN C[N@H+]([C@@H]1CCN(C(=O)Cc2nnc[n-]2)C1)[C@H]1CCNC1=O ZINC000972692698 616117750 /nfs/dbraw/zinc/11/77/50/616117750.db2.gz GMCBPRVDXCVOLA-ZJUUUORDSA-N 0 3 292.343 -1.232 20 0 CAADHN C[N@@H+]([C@@H]1CCN(C(=O)Cc2nnc[n-]2)C1)[C@H]1CCNC1=O ZINC000972692698 616117751 /nfs/dbraw/zinc/11/77/51/616117751.db2.gz GMCBPRVDXCVOLA-ZJUUUORDSA-N 0 3 292.343 -1.232 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970602740 616120912 /nfs/dbraw/zinc/12/09/12/616120912.db2.gz IDLDVWLUEDLVJU-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969682723 616127701 /nfs/dbraw/zinc/12/77/01/616127701.db2.gz RINLFNRLWOAHLC-RKDXNWHRSA-N 0 3 268.317 -1.717 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000969605810 616131688 /nfs/dbraw/zinc/13/16/88/616131688.db2.gz IGZNPYOGDWUAIE-MXWKQRLJSA-N 0 3 294.355 -1.314 20 0 CAADHN CN(C[C@@H]1CCc2ncnn21)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972216621 616145662 /nfs/dbraw/zinc/14/56/62/616145662.db2.gz PPRJQEJYTLQCFW-UWVGGRQHSA-N 0 3 292.343 -1.217 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1=O ZINC000962491567 616160674 /nfs/dbraw/zinc/16/06/74/616160674.db2.gz LVWBZABQCAQHFX-GDGBQDQQSA-N 0 3 296.327 -2.081 20 0 CAADHN CN1CCCC[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1=O ZINC000970467127 616181366 /nfs/dbraw/zinc/18/13/66/616181366.db2.gz BNZFAWLIZJKHNF-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CN1CCC[C@@H](N[C@@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC000969784734 616190924 /nfs/dbraw/zinc/19/09/24/616190924.db2.gz YEXWYRCJJCPHTD-RKDXNWHRSA-N 0 3 268.317 -1.717 20 0 CAADHN CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000936910424 616191763 /nfs/dbraw/zinc/19/17/63/616191763.db2.gz IWGYSYSRGSIMAC-NXEZZACHSA-N 0 3 282.344 -1.375 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(C2CN(CCO)C2)CC1 ZINC000941344147 616191989 /nfs/dbraw/zinc/19/19/89/616191989.db2.gz DGEJFLAVDDBKBG-CQSZACIVSA-N 0 3 296.415 -1.099 20 0 CAADHN CN1CCC[C@H](N[C@@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC000969784733 616208353 /nfs/dbraw/zinc/20/83/53/616208353.db2.gz YEXWYRCJJCPHTD-BDAKNGLRSA-N 0 3 268.317 -1.717 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(C2CN(CCO)C2)CC1 ZINC000941344146 616209638 /nfs/dbraw/zinc/20/96/38/616209638.db2.gz DGEJFLAVDDBKBG-AWEZNQCLSA-N 0 3 296.415 -1.099 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938579926 616210254 /nfs/dbraw/zinc/21/02/54/616210254.db2.gz QLZCNCWEKJQDTP-IUCAKERBSA-N 0 3 268.317 -1.717 20 0 CAADHN CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977079320 616210636 /nfs/dbraw/zinc/21/06/36/616210636.db2.gz JPGDJTYPTSDFMK-QCLAVDOMSA-N 0 3 280.328 -1.861 20 0 CAADHN CN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC000977918605 616211580 /nfs/dbraw/zinc/21/15/80/616211580.db2.gz JGZXUWJYCRUNLQ-YFKTTZPYSA-N 0 3 280.372 -1.140 20 0 CAADHN CN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC000958414995 616212749 /nfs/dbraw/zinc/21/27/49/616212749.db2.gz NNVYKZKKYFLCGN-MIZYBKAJSA-N 0 3 266.345 -1.388 20 0 CAADHN CN1CCN(CC(=O)N2CC[C@@H](NCCF)C2)CC1=O ZINC000969135315 616239468 /nfs/dbraw/zinc/23/94/68/616239468.db2.gz HBSVIIPGLZVJTQ-LLVKDONJSA-N 0 3 286.351 -1.080 20 0 CAADHN CN1CCOC[C@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968462798 616249522 /nfs/dbraw/zinc/24/95/22/616249522.db2.gz SKXOCDPOVXASMD-ZJUUUORDSA-N 0 3 270.333 -2.007 20 0 CAADHN CN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958618864 616249744 /nfs/dbraw/zinc/24/97/44/616249744.db2.gz XCJKGHDLSACGTP-WHOHXGKFSA-N 0 3 269.345 -1.644 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000968304642 616251373 /nfs/dbraw/zinc/25/13/73/616251373.db2.gz YXWFGNAZWYXCGN-NXEZZACHSA-N 0 3 270.333 -2.007 20 0 CAADHN CN1CC[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1=O ZINC000969645034 616265172 /nfs/dbraw/zinc/26/51/72/616265172.db2.gz TVOSIWFPRWGCNL-RKDXNWHRSA-N 0 3 268.317 -1.860 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000966892079 616281115 /nfs/dbraw/zinc/28/11/15/616281115.db2.gz CFZSJTCDKZQZEP-NXEZZACHSA-N 0 3 293.331 -1.906 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](N[C@@H]3CCN(C)C3=O)C2)nn1 ZINC000968572602 616281329 /nfs/dbraw/zinc/28/13/29/616281329.db2.gz SROOZZQUFYQDLA-NXEZZACHSA-N 0 3 292.343 -1.150 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1=O ZINC000969786973 616281645 /nfs/dbraw/zinc/28/16/45/616281645.db2.gz YKQURENHMAFAQP-NXEZZACHSA-N 0 3 294.355 -1.327 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H](N[C@@H]3CCN(C)C3=O)C2)n1 ZINC000969624443 616282276 /nfs/dbraw/zinc/28/22/76/616282276.db2.gz ZCFFIVWACHKLIH-RKDXNWHRSA-N 0 3 293.331 -1.755 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](N[C@@H]3CCN(C)C3=O)C2)n1 ZINC000968572630 616282546 /nfs/dbraw/zinc/28/25/46/616282546.db2.gz UGEVQJSLKWXEEO-NXEZZACHSA-N 0 3 292.343 -1.150 20 0 CAADHN COCCN1CC([C@@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000970355855 616316380 /nfs/dbraw/zinc/31/63/80/616316380.db2.gz AVJPEJGHPSAUJV-PSASIEDQSA-N 0 3 270.333 -1.249 20 0 CAADHN CN1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1=O ZINC000961547478 616380270 /nfs/dbraw/zinc/38/02/70/616380270.db2.gz BTFQCYLROBPXMF-ZNSHCXBVSA-N 0 3 267.329 -1.497 20 0 CAADHN CN1C[C@H](C(=O)N2CC3(C2)CCCN(CCO)C3)NC1=O ZINC000981935213 616399962 /nfs/dbraw/zinc/39/99/62/616399962.db2.gz KUMJWNMNTMIGKY-LLVKDONJSA-N 0 3 296.371 -1.073 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CCC1=O ZINC000970809489 616404167 /nfs/dbraw/zinc/40/41/67/616404167.db2.gz GZNZIKRLYHXJBL-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1CC[C@H](NC[C@@H]2CCCCN2C(=O)C(N)=O)C1=O ZINC000960110304 616415640 /nfs/dbraw/zinc/41/56/40/616415640.db2.gz OUASOYLQZYPUBQ-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1=O ZINC000969786974 616416677 /nfs/dbraw/zinc/41/66/77/616416677.db2.gz YKQURENHMAFAQP-ZJUUUORDSA-N 0 3 294.355 -1.327 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)C1=O ZINC000968989662 616416718 /nfs/dbraw/zinc/41/67/18/616416718.db2.gz JWRHGEORHLJUKA-ZJUUUORDSA-N 0 3 296.371 -1.081 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](N[C@H]3CCN(C)C3=O)C2)n1 ZINC000968572631 616417512 /nfs/dbraw/zinc/41/75/12/616417512.db2.gz UGEVQJSLKWXEEO-ZJUUUORDSA-N 0 3 292.343 -1.150 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCN(C(=O)Cn3nccn3)C2)C1=O ZINC000968802374 616417539 /nfs/dbraw/zinc/41/75/39/616417539.db2.gz LPOIUVAXAIYWNB-MNOVXSKESA-N 0 3 292.343 -1.301 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H](N[C@H]3CCN(C)C3=O)C2)n1 ZINC000969624441 616417734 /nfs/dbraw/zinc/41/77/34/616417734.db2.gz ZCFFIVWACHKLIH-BDAKNGLRSA-N 0 3 293.331 -1.755 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC000966892084 616417878 /nfs/dbraw/zinc/41/78/78/616417878.db2.gz CFZSJTCDKZQZEP-ZJUUUORDSA-N 0 3 293.331 -1.906 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](N[C@H]3CCN(C)C3=O)C2)n1 ZINC000970257141 616418023 /nfs/dbraw/zinc/41/80/23/616418023.db2.gz DRDIFGHTGZUWEJ-ZJUUUORDSA-N 0 3 292.343 -1.150 20 0 CAADHN CN1C[C@H](C(=O)N[C@H]2CN(CCO)CC2(C)C)NC1=O ZINC000974926573 616418987 /nfs/dbraw/zinc/41/89/87/616418987.db2.gz VVXBVPPISLCABI-ZJUUUORDSA-N 0 3 284.360 -1.171 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC1=O ZINC000960187418 616419915 /nfs/dbraw/zinc/41/99/15/616419915.db2.gz XCQLOIKNNJZBPF-SVDPJWKOSA-N 0 3 267.329 -1.497 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000957843411 616441530 /nfs/dbraw/zinc/44/15/30/616441530.db2.gz SBCKPOYBIIZBMJ-WDEREUQCSA-N 0 3 286.328 -1.070 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958324608 616442660 /nfs/dbraw/zinc/44/26/60/616442660.db2.gz KRCAGKHIUAOTPG-KIJLLGNVSA-N 0 3 284.356 -1.066 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958480455 616443350 /nfs/dbraw/zinc/44/33/50/616443350.db2.gz BALBETQRATZKQF-GXSJLCMTSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H](O)C1 ZINC000958324609 616443369 /nfs/dbraw/zinc/44/33/69/616443369.db2.gz KRCAGKHIUAOTPG-LBELIVKGSA-N 0 3 284.356 -1.066 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958155506 616443458 /nfs/dbraw/zinc/44/34/58/616443458.db2.gz COSTZBAOPSVUOY-WDEREUQCSA-N 0 3 296.327 -1.149 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC000957953495 616443833 /nfs/dbraw/zinc/44/38/33/616443833.db2.gz NWVGFOAWFZUGKZ-WDEREUQCSA-N 0 3 297.359 -1.208 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958328875 616444012 /nfs/dbraw/zinc/44/40/12/616444012.db2.gz OMAMZBHENXOJNW-DTWKUNHWSA-N 0 3 284.320 -2.121 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2nccnc2N)[C@H](O)C1 ZINC000957918683 616445635 /nfs/dbraw/zinc/44/56/35/616445635.db2.gz LBSQQGSCHUMTCE-NXEZZACHSA-N 0 3 295.343 -1.272 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC000958155503 616446063 /nfs/dbraw/zinc/44/60/63/616446063.db2.gz COSTZBAOPSVUOY-GHMZBOCLSA-N 0 3 296.327 -1.149 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2cnnn2C)[C@H](O)C1 ZINC000958035504 616446100 /nfs/dbraw/zinc/44/61/00/616446100.db2.gz GKVZLYZEQDMTIU-MWLCHTKSSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)C2=COCCO2)C1 ZINC000957843410 616450658 /nfs/dbraw/zinc/45/06/58/616450658.db2.gz SBCKPOYBIIZBMJ-QWRGUYRKSA-N 0 3 286.328 -1.070 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958014446 616450806 /nfs/dbraw/zinc/45/08/06/616450806.db2.gz HAKINIXSYYARGD-AAEUAGOBSA-N 0 3 299.371 -1.480 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC000957847359 616450862 /nfs/dbraw/zinc/45/08/62/616450862.db2.gz QBQCEPDPDTUTQA-ONGXEEELSA-N 0 3 296.327 -1.149 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958324607 616451164 /nfs/dbraw/zinc/45/11/64/616451164.db2.gz KRCAGKHIUAOTPG-IEECTRCBSA-N 0 3 284.356 -1.066 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958328876 616451670 /nfs/dbraw/zinc/45/16/70/616451670.db2.gz OMAMZBHENXOJNW-IUCAKERBSA-N 0 3 284.320 -2.121 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958480458 616452010 /nfs/dbraw/zinc/45/20/10/616452010.db2.gz BALBETQRATZKQF-ONGXEEELSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958020032 616452074 /nfs/dbraw/zinc/45/20/74/616452074.db2.gz IYRLFDFWLMNTQA-ONGXEEELSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC000958155505 616452199 /nfs/dbraw/zinc/45/21/99/616452199.db2.gz COSTZBAOPSVUOY-QWRGUYRKSA-N 0 3 296.327 -1.149 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958354585 616458110 /nfs/dbraw/zinc/45/81/10/616458110.db2.gz INKFBLYVCPTEIY-KOLCDFICSA-N 0 3 296.327 -1.561 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)C2CN(C(C)=O)C2)C1 ZINC000958014449 616458259 /nfs/dbraw/zinc/45/82/59/616458259.db2.gz HAKINIXSYYARGD-YPMHNXCESA-N 0 3 299.371 -1.480 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000958324606 616458507 /nfs/dbraw/zinc/45/85/07/616458507.db2.gz KRCAGKHIUAOTPG-BNDIWNMDSA-N 0 3 284.356 -1.066 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC000958309206 616459004 /nfs/dbraw/zinc/45/90/04/616459004.db2.gz IILPZSDHVLYBON-KOLCDFICSA-N 0 3 298.343 -1.205 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2nccnc2N)C1 ZINC000957918686 616459101 /nfs/dbraw/zinc/45/91/01/616459101.db2.gz LBSQQGSCHUMTCE-ZJUUUORDSA-N 0 3 295.343 -1.272 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC000958480456 616459671 /nfs/dbraw/zinc/45/96/71/616459671.db2.gz BALBETQRATZKQF-KOLCDFICSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC000958379404 616459687 /nfs/dbraw/zinc/45/96/87/616459687.db2.gz RIXWWPYYOYBEBM-KOLCDFICSA-N 0 3 298.343 -1.205 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958026134 616459732 /nfs/dbraw/zinc/45/97/32/616459732.db2.gz YSURLSCTAQLHJH-ZJUUUORDSA-N 0 3 283.332 -1.516 20 0 CAADHN CN1C[C@@H](C(=O)N2CC3(C2)CCCN(CCO)C3)NC1=O ZINC000981935214 616478268 /nfs/dbraw/zinc/47/82/68/616478268.db2.gz KUMJWNMNTMIGKY-NSHDSACASA-N 0 3 296.371 -1.073 20 0 CAADHN CN1C[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)NC1=O ZINC000969585844 616481738 /nfs/dbraw/zinc/48/17/38/616481738.db2.gz BQPWGFQHPIQAEJ-SFYZADRCSA-N 0 3 269.305 -2.314 20 0 CAADHN COCC(=O)N1CCC(O)(CN[C@@H]2CCNC2=O)CC1 ZINC000946913887 616550342 /nfs/dbraw/zinc/55/03/42/616550342.db2.gz QQVWEPQLKWIWSY-SNVBAGLBSA-N 0 3 285.344 -1.536 20 0 CAADHN COCC(=O)N1CCC(O)(CN[C@H]2CCNC2=O)CC1 ZINC000946913886 616550404 /nfs/dbraw/zinc/55/04/04/616550404.db2.gz QQVWEPQLKWIWSY-JTQLQIEISA-N 0 3 285.344 -1.536 20 0 CAADHN COCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC000965967681 616605689 /nfs/dbraw/zinc/60/56/89/616605689.db2.gz DLEHIZRZNDWUEX-RKDXNWHRSA-N 0 3 269.301 -1.372 20 0 CAADHN CNC(=O)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963349484 616607650 /nfs/dbraw/zinc/60/76/50/616607650.db2.gz RLSGIADCTCNMPE-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)CN1CC[C@@H]([C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000961219715 616618397 /nfs/dbraw/zinc/61/83/97/616618397.db2.gz JWAHEXOBMJKLGO-GHMZBOCLSA-N 0 3 296.371 -1.222 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@@H](C)C1 ZINC000944048270 616622743 /nfs/dbraw/zinc/62/27/43/616622743.db2.gz XOVQDFQKHJMXEZ-UWVGGRQHSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)Cc2nnc[nH]2)[C@H](C)C1 ZINC000944048272 616622792 /nfs/dbraw/zinc/62/27/92/616622792.db2.gz XOVQDFQKHJMXEZ-ZJUUUORDSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943676797 616626360 /nfs/dbraw/zinc/62/63/60/616626360.db2.gz VYLZMGNVIASBFS-BDAKNGLRSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC000943676797 616626362 /nfs/dbraw/zinc/62/63/62/616626362.db2.gz VYLZMGNVIASBFS-BDAKNGLRSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC000943676797 616626364 /nfs/dbraw/zinc/62/63/64/616626364.db2.gz VYLZMGNVIASBFS-BDAKNGLRSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN1CC[C@H]([C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000961219718 616628803 /nfs/dbraw/zinc/62/88/03/616628803.db2.gz JWAHEXOBMJKLGO-MNOVXSKESA-N 0 3 296.371 -1.222 20 0 CAADHN CNC(=O)CN1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980169521 616633899 /nfs/dbraw/zinc/63/38/99/616633899.db2.gz WUWOEMWQNOINSW-GUBZILKMSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)CN1C[C@@H]2CC[C@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980169520 616639410 /nfs/dbraw/zinc/63/94/10/616639410.db2.gz WUWOEMWQNOINSW-AEJSXWLSSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3[n-]nnc3C)[C@@H]2C1 ZINC000978569005 616640198 /nfs/dbraw/zinc/64/01/98/616640198.db2.gz WMWZBQXNNQWYAN-OWUUHHOZSA-N 0 3 292.343 -1.233 20 0 CAADHN CNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3[n-]nnc3C)[C@@H]2C1 ZINC000978569005 616640200 /nfs/dbraw/zinc/64/02/00/616640200.db2.gz WMWZBQXNNQWYAN-OWUUHHOZSA-N 0 3 292.343 -1.233 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NC(=O)N(C)C1 ZINC000961682797 616646182 /nfs/dbraw/zinc/64/61/82/616646182.db2.gz VGDMVGAHUXIKDB-VROVMSAKSA-N 0 3 293.327 -1.468 20 0 CAADHN COCCn1ccc(C(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000969292726 616739656 /nfs/dbraw/zinc/73/96/56/616739656.db2.gz JSLGYNRSJBVXLT-SNVBAGLBSA-N 0 3 295.343 -1.181 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960754481 616792092 /nfs/dbraw/zinc/79/20/92/616792092.db2.gz YJWONWDSMOYLQV-ODXREFDESA-N 0 3 278.316 -1.401 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962086427 616793891 /nfs/dbraw/zinc/79/38/91/616793891.db2.gz QSJSJPCPZQBXGL-HXFLIBJXSA-N 0 3 278.316 -1.401 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962086427 616793897 /nfs/dbraw/zinc/79/38/97/616793897.db2.gz QSJSJPCPZQBXGL-HXFLIBJXSA-N 0 3 278.316 -1.401 20 0 CAADHN COCc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)no1 ZINC000958457582 616880842 /nfs/dbraw/zinc/88/08/42/616880842.db2.gz FDNHJCVJECJLSK-SKDRFNHKSA-N 0 3 299.327 -1.164 20 0 CAADHN COCc1nc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)co1 ZINC000958551808 616926476 /nfs/dbraw/zinc/92/64/76/616926476.db2.gz NXXNBIZZGNFERX-KOLCDFICSA-N 0 3 299.327 -1.164 20 0 CAADHN CO[C@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)c1cnn(C)c1 ZINC000969476593 616965399 /nfs/dbraw/zinc/96/53/99/616965399.db2.gz MAFZFHVQRGPENI-PWSUYJOCSA-N 0 3 295.343 -1.217 20 0 CAADHN CO[C@H](C)C(=O)N1CCC(O)(CN[C@H]2CCNC2=O)CC1 ZINC000946918902 617014522 /nfs/dbraw/zinc/01/45/22/617014522.db2.gz VEYURORPVPNSAD-MNOVXSKESA-N 0 3 299.371 -1.147 20 0 CAADHN COc1c(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cnn1C ZINC000958626710 617143528 /nfs/dbraw/zinc/14/35/28/617143528.db2.gz QBDOQEMGJPZRRJ-MWLCHTKSSA-N 0 3 298.343 -1.557 20 0 CAADHN COc1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)nn1C ZINC000969288079 617157554 /nfs/dbraw/zinc/15/75/54/617157554.db2.gz IYOYJYKZXRVUAG-MRVPVSSYSA-N 0 3 281.316 -1.282 20 0 CAADHN COc1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)on1 ZINC000968470171 617157604 /nfs/dbraw/zinc/15/76/04/617157604.db2.gz ZXQINROVZCKREU-SSDOTTSWSA-N 0 3 268.273 -1.027 20 0 CAADHN COc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)ncn1 ZINC000958073274 617161580 /nfs/dbraw/zinc/16/15/80/617161580.db2.gz JLXVVTYVSGHCJI-KOLCDFICSA-N 0 3 296.327 -1.500 20 0 CAADHN COc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)ncn1 ZINC000958073273 617162244 /nfs/dbraw/zinc/16/22/44/617162244.db2.gz JLXVVTYVSGHCJI-GXSJLCMTSA-N 0 3 296.327 -1.500 20 0 CAADHN COc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)on1 ZINC000957997522 617162289 /nfs/dbraw/zinc/16/22/89/617162289.db2.gz ZJIVAZSAMMKDOM-IUCAKERBSA-N 0 3 285.300 -1.302 20 0 CAADHN CN(CCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)c1cn[n-]n1 ZINC001276099495 782187625 /nfs/dbraw/zinc/18/76/25/782187625.db2.gz LQVQCYBYLCFDIU-MRVPVSSYSA-N 0 3 294.315 -1.338 20 0 CAADHN CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)c1cn[n-]n1 ZINC001276099496 782188347 /nfs/dbraw/zinc/18/83/47/782188347.db2.gz LQVQCYBYLCFDIU-QMMMGPOBSA-N 0 3 294.315 -1.338 20 0 CAADHN CNC(=O)C[NH2+]CCCN(C)C(=O)c1cnc[n-]c1=O ZINC001276064122 782188366 /nfs/dbraw/zinc/18/83/66/782188366.db2.gz DXLWOHFNOZOMGP-UHFFFAOYSA-N 0 3 281.316 -1.020 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CCCNC1=O ZINC000912600147 656261581 /nfs/dbraw/zinc/26/15/81/656261581.db2.gz RYXKTFAAMPETGZ-SNVBAGLBSA-N 0 3 257.334 -1.105 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@]1(C)CCNC1=O ZINC000912599186 656261851 /nfs/dbraw/zinc/26/18/51/656261851.db2.gz KZTNJLFUHOMVPL-LBPRGKRZSA-N 0 3 257.334 -1.105 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC000912606885 656261873 /nfs/dbraw/zinc/26/18/73/656261873.db2.gz HJYUWAWCCROPTQ-SNVBAGLBSA-N 0 3 257.334 -1.105 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)N(C)CCN(C)CCO ZINC000912604289 656262451 /nfs/dbraw/zinc/26/24/51/656262451.db2.gz XUUPKMMQCSGXTE-SNVBAGLBSA-N 0 3 295.405 -1.303 20 0 CAADHN CC[C@H](C(=O)NC[C@@]1(CO)COCCN1)N(C)C ZINC000913187485 656277949 /nfs/dbraw/zinc/27/79/49/656277949.db2.gz ZNAWMBYJTCZASA-ZYHUDNBSSA-N 0 3 259.350 -1.206 20 0 CAADHN CN1CC[C@H](CNS(=O)(=O)[C@@H]2COC[C@H]2O)C1 ZINC000916186708 656363702 /nfs/dbraw/zinc/36/37/02/656363702.db2.gz LCEGTQHLXMCCFU-OPRDCNLKSA-N 0 3 264.347 -1.383 20 0 CAADHN C[S@@](=N)(=O)N1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923669634 656813978 /nfs/dbraw/zinc/81/39/78/656813978.db2.gz ARBVOYWBMOHMOD-INIZCTEOSA-N 0 3 282.391 -1.503 20 0 CAADHN OCCOCCN(CCO)C[C@@H](O)C1(O)CCC1 ZINC000930702730 656841450 /nfs/dbraw/zinc/84/14/50/656841450.db2.gz DHEQVZQAMWLQBJ-LLVKDONJSA-N 0 3 263.334 -1.435 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000930448609 656838734 /nfs/dbraw/zinc/83/87/34/656838734.db2.gz GQOQPNLTZMBWNR-ONGXEEELSA-N 0 3 280.390 -1.011 20 0 CAADHN CNC(=O)[C@H](C)NS(=O)(=O)N1CCNCC1 ZINC000042574317 656867644 /nfs/dbraw/zinc/86/76/44/656867644.db2.gz HEWJAGWYCBBCIL-ZETCQYMHSA-N 0 3 250.324 -2.140 20 0 CAADHN CC1(C)CNCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000214046280 655995199 /nfs/dbraw/zinc/99/51/99/655995199.db2.gz BUKALNGQPAEJMY-ZETCQYMHSA-N 0 3 254.290 -1.205 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1)C(N)=O ZINC000969193567 655995265 /nfs/dbraw/zinc/99/52/65/655995265.db2.gz HLJSAHHFSKCIOH-VHSXEESVSA-N 0 3 297.359 -1.534 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000969169856 655995368 /nfs/dbraw/zinc/99/53/68/655995368.db2.gz JNMGYAWSAHIPCS-DTWKUNHWSA-N 0 3 268.317 -1.812 20 0 CAADHN COc1c[nH]c(C(=O)N[C@H]2C[C@H](NCC(N)=O)C2)cc1=O ZINC001020395629 655995517 /nfs/dbraw/zinc/99/55/17/655995517.db2.gz RLTOLJYUWGSYEW-ZKCHVHJHSA-N 0 3 294.311 -1.281 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)C(N)=O ZINC000969140371 655995647 /nfs/dbraw/zinc/99/56/47/655995647.db2.gz BCNQPLGICKWIIQ-RKDXNWHRSA-N 0 3 296.331 -2.354 20 0 CAADHN Cn1cc(C(N)=O)cc1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969218393 655996137 /nfs/dbraw/zinc/99/61/37/655996137.db2.gz VXNYTUZBDRNTDM-SECBINFHSA-N 0 3 293.327 -1.587 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC000969271634 655996639 /nfs/dbraw/zinc/99/66/39/655996639.db2.gz VYJZFINYUAZNFS-VHSXEESVSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCN(C(N)=O)C2)C1 ZINC000969249298 655996816 /nfs/dbraw/zinc/99/68/16/655996816.db2.gz GTBDYAHZLIMMEB-VHSXEESVSA-N 0 3 297.359 -1.547 20 0 CAADHN COc1coc(C(=O)N2CC[C@@H](NCC(N)=O)C2)cc1=O ZINC000969343991 655997318 /nfs/dbraw/zinc/99/73/18/655997318.db2.gz NJAPJKJCWVQMLZ-MRVPVSSYSA-N 0 3 295.295 -1.062 20 0 CAADHN Cn1nnc(C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)n1 ZINC001020478531 655997911 /nfs/dbraw/zinc/99/79/11/655997911.db2.gz QDJXIBMBGCUUMA-ZKCHVHJHSA-N 0 3 291.319 -1.611 20 0 CAADHN Cn1nnc(C(=O)N[C@H]2C[C@H](NCc3ccnn3C)C2)n1 ZINC001020478693 655997936 /nfs/dbraw/zinc/99/79/36/655997936.db2.gz WWRYLXYPFWVGLK-KYZUINATSA-N 0 3 290.331 -1.006 20 0 CAADHN Cn1nccc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001020530674 655998264 /nfs/dbraw/zinc/99/82/64/655998264.db2.gz COVGVPWNYNGVID-QXEWZRGKSA-N 0 3 292.343 -1.162 20 0 CAADHN COc1ccc(CN[C@H]2C[C@H](NC(=O)C(N)=O)C2)nn1 ZINC001020533115 655999028 /nfs/dbraw/zinc/99/90/28/655999028.db2.gz GTKMPBNYTQAQLX-KYZUINATSA-N 0 3 279.300 -1.293 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001020533304 655999869 /nfs/dbraw/zinc/99/98/69/655999869.db2.gz PZFMNDOBJSHUOC-LJGSYFOKSA-N 0 3 252.278 -1.963 20 0 CAADHN C[C@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CNC(=O)C1 ZINC000969439373 655999940 /nfs/dbraw/zinc/99/99/40/655999940.db2.gz JANONJAHHKGEEE-PRHODGIISA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CN(C)CCO1)C1CN(CCO)C1 ZINC000969439979 655999981 /nfs/dbraw/zinc/99/99/81/655999981.db2.gz DBOSWURNCFLZAN-JQWIXIFHSA-N 0 3 271.361 -1.254 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CN(C)CCO1)C1CN(CCO)C1 ZINC000969439981 656000064 /nfs/dbraw/zinc/00/00/64/656000064.db2.gz DBOSWURNCFLZAN-ZYHUDNBSSA-N 0 3 271.361 -1.254 20 0 CAADHN COc1nc(C(=O)N2CC[C@@H](NCC(N)=O)C2)co1 ZINC000969480344 656000803 /nfs/dbraw/zinc/00/08/03/656000803.db2.gz RUXWBTZQMDLTDE-SSDOTTSWSA-N 0 3 268.273 -1.027 20 0 CAADHN Cc1noc(CCC(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000969524792 656000812 /nfs/dbraw/zinc/00/08/12/656000812.db2.gz UWDJQKQLRGTMJH-SECBINFHSA-N 0 3 281.316 -1.014 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC000969451429 656000844 /nfs/dbraw/zinc/00/08/44/656000844.db2.gz OYZSXOVZUHIXAW-MRVPVSSYSA-N 0 3 280.284 -1.332 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC000969518749 656000895 /nfs/dbraw/zinc/00/08/95/656000895.db2.gz UDSXROYGRLREIY-SNVBAGLBSA-N 0 3 265.317 -1.051 20 0 CAADHN Cn1c(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)c[nH]c1=O ZINC000969576076 656001373 /nfs/dbraw/zinc/00/13/73/656001373.db2.gz BAOUIDYIDQAXPS-BDAKNGLRSA-N 0 3 293.327 -1.182 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000969567231 656001541 /nfs/dbraw/zinc/00/15/41/656001541.db2.gz RPSNSPGDQQPNEF-SFYZADRCSA-N 0 3 254.290 -2.202 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969548516 656001573 /nfs/dbraw/zinc/00/15/73/656001573.db2.gz OQUYPIBRSRAAAA-SSDOTTSWSA-N 0 3 252.278 -1.597 20 0 CAADHN O=C(CN1CCNC(=O)C1)N1CC[C@@H](NCCF)C1 ZINC000969572461 656001579 /nfs/dbraw/zinc/00/15/79/656001579.db2.gz CBLOBYYOKLMYSS-SNVBAGLBSA-N 0 3 272.324 -1.422 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000969545372 656001590 /nfs/dbraw/zinc/00/15/90/656001590.db2.gz BDAQRAJHNGAZSL-RKDXNWHRSA-N 0 3 278.316 -1.194 20 0 CAADHN Cn1c(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)c[nH]c1=O ZINC000969576077 656001756 /nfs/dbraw/zinc/00/17/56/656001756.db2.gz BAOUIDYIDQAXPS-RKDXNWHRSA-N 0 3 293.327 -1.182 20 0 CAADHN O=C([C@H]1[C@@H]2COC[C@@H]21)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000969646130 656001910 /nfs/dbraw/zinc/00/19/10/656001910.db2.gz PBBVEXXMRLJRCV-GCHJQGSQSA-N 0 3 279.340 -1.042 20 0 CAADHN Cn1cc(CN[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)cn1 ZINC000969626272 656002016 /nfs/dbraw/zinc/00/20/16/656002016.db2.gz SYEJSZGNNDOJBO-SNVBAGLBSA-N 0 3 290.331 -1.052 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)n1 ZINC000969625834 656002123 /nfs/dbraw/zinc/00/21/23/656002123.db2.gz NRGVWXYJFBZHEE-RKDXNWHRSA-N 0 3 293.331 -1.707 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)n1 ZINC000969626570 656002137 /nfs/dbraw/zinc/00/21/37/656002137.db2.gz WCEKTIOKYGDSOF-SFYZADRCSA-N 0 3 279.304 -2.097 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)n1 ZINC000969625833 656002191 /nfs/dbraw/zinc/00/21/91/656002191.db2.gz NRGVWXYJFBZHEE-BDAKNGLRSA-N 0 3 293.331 -1.707 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)n1 ZINC000969626569 656002232 /nfs/dbraw/zinc/00/22/32/656002232.db2.gz WCEKTIOKYGDSOF-HTQZYQBOSA-N 0 3 279.304 -2.097 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1)C(N)=O ZINC000969625107 656002423 /nfs/dbraw/zinc/00/24/23/656002423.db2.gz IOTIXIUNZUKVGY-BBBLOLIVSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1)C(N)=O ZINC000969622373 656002505 /nfs/dbraw/zinc/00/25/05/656002505.db2.gz HXUQIDGIXKMHOY-RNFRBKRXSA-N 0 3 267.293 -2.112 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)c3nnn(C)n3)C2)n[nH]1 ZINC000969625666 656002556 /nfs/dbraw/zinc/00/25/56/656002556.db2.gz KPJUVTNZTAOWSF-MRVPVSSYSA-N 0 3 291.319 -1.359 20 0 CAADHN Cn1cc(OCC(=O)N2CC[C@@H](NCC(N)=O)C2)cn1 ZINC000969729864 656002758 /nfs/dbraw/zinc/00/27/58/656002758.db2.gz DLQDIQBNGMMAOA-SECBINFHSA-N 0 3 281.316 -1.525 20 0 CAADHN C[C@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCC(=O)NC1 ZINC000969674676 656002812 /nfs/dbraw/zinc/00/28/12/656002812.db2.gz MNJWHEUSIDZKLV-RNCFNFMXSA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1)C(N)=O ZINC000969687036 656002853 /nfs/dbraw/zinc/00/28/53/656002853.db2.gz IOTIXIUNZUKVGY-IVZWLZJFSA-N 0 3 282.344 -1.329 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000969744464 656002917 /nfs/dbraw/zinc/00/29/17/656002917.db2.gz WDAUIVOSCWQDDJ-SSDOTTSWSA-N 0 3 265.273 -1.941 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC000969711042 656002931 /nfs/dbraw/zinc/00/29/31/656002931.db2.gz MMZSSLOOEPWMTG-KCJUWKMLSA-N 0 3 259.281 -1.209 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)C(N)=O ZINC000969750604 656003112 /nfs/dbraw/zinc/00/31/12/656003112.db2.gz KFQLJJGIDFSIEQ-HTQZYQBOSA-N 0 3 279.300 -1.552 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)COc2cnn(C)c2)C1)C(N)=O ZINC000969730585 656003243 /nfs/dbraw/zinc/00/32/43/656003243.db2.gz KGZPQENCLTZFGW-VHSXEESVSA-N 0 3 295.343 -1.137 20 0 CAADHN Cn1nccc1CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000969766887 656003867 /nfs/dbraw/zinc/00/38/67/656003867.db2.gz RKHWIFBCESBMMP-KOLCDFICSA-N 0 3 292.343 -1.208 20 0 CAADHN Cn1cc(CN[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cn1 ZINC000969767624 656003893 /nfs/dbraw/zinc/00/38/93/656003893.db2.gz WXWGWMRPIGAXKK-MNOVXSKESA-N 0 3 292.343 -1.208 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000969766899 656003960 /nfs/dbraw/zinc/00/39/60/656003960.db2.gz ROZHVJXGKUOOMB-RNFRBKRXSA-N 0 3 255.278 -2.656 20 0 CAADHN Cn1cc(CN[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)cn1 ZINC000969767623 656003976 /nfs/dbraw/zinc/00/39/76/656003976.db2.gz WXWGWMRPIGAXKK-GHMZBOCLSA-N 0 3 292.343 -1.208 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC000969784105 656004383 /nfs/dbraw/zinc/00/43/83/656004383.db2.gz KATYYCFYAOUTTG-RNFRBKRXSA-N 0 3 268.273 -2.533 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC000969784110 656004576 /nfs/dbraw/zinc/00/45/76/656004576.db2.gz KATYYCFYAOUTTG-RQJHMYQMSA-N 0 3 268.273 -2.533 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)C(N)=O ZINC000969786931 656004796 /nfs/dbraw/zinc/00/47/96/656004796.db2.gz WHMDLMBVXNDVFF-HTQZYQBOSA-N 0 3 268.317 -1.684 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)CC1 ZINC000969786622 656005105 /nfs/dbraw/zinc/00/51/05/656005105.db2.gz MUZCUMZCRQOHDZ-SNVBAGLBSA-N 0 3 294.355 -1.325 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C(N)=O)[C@@H]2C)C1 ZINC001020585850 656005118 /nfs/dbraw/zinc/00/51/18/656005118.db2.gz UTCNFPQXNZKKMX-VWYCJHECSA-N 0 3 296.371 -1.081 20 0 CAADHN Cn1c(C(=O)N2CC[C@@H](NCC(N)=O)C2)cccc1=O ZINC000969897293 656005388 /nfs/dbraw/zinc/00/53/88/656005388.db2.gz UBOWZFYMSGLNCQ-SECBINFHSA-N 0 3 278.312 -1.325 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)[nH]c1=O ZINC000969827384 656005756 /nfs/dbraw/zinc/00/57/56/656005756.db2.gz OXXWPASLRLWKQP-SSDOTTSWSA-N 0 3 267.289 -1.585 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCNC1=O ZINC000969936920 656006062 /nfs/dbraw/zinc/00/60/62/656006062.db2.gz LBOLDZIXNNNYBV-PRHODGIISA-N 0 3 268.317 -1.812 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC000969917277 656006125 /nfs/dbraw/zinc/00/61/25/656006125.db2.gz UPKIJHSMKUSDTG-ZJUUUORDSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000969970546 656006154 /nfs/dbraw/zinc/00/61/54/656006154.db2.gz PQYXDRCLYHNEDN-PRJMDXOYSA-N 0 3 254.290 -2.216 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1)C(N)=O ZINC000969981812 656006188 /nfs/dbraw/zinc/00/61/88/656006188.db2.gz HCZJAIHFVMVLLX-HTQZYQBOSA-N 0 3 293.327 -1.209 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC000969972888 656006283 /nfs/dbraw/zinc/00/62/83/656006283.db2.gz IPNFFEWLYFIJIR-KXUCPTDWSA-N 0 3 282.344 -1.436 20 0 CAADHN Cn1ncc(CCC(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000969980811 656006348 /nfs/dbraw/zinc/00/63/48/656006348.db2.gz QMEVDHZIYANBDE-SNVBAGLBSA-N 0 3 280.332 -1.577 20 0 CAADHN Cn1ncc(C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)n1 ZINC001020746100 656007209 /nfs/dbraw/zinc/00/72/09/656007209.db2.gz JSPMLIYARZTPEV-KYZUINATSA-N 0 3 290.331 -1.006 20 0 CAADHN C[C@H](N[C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1)c1nnnn1C ZINC001020772972 656007305 /nfs/dbraw/zinc/00/73/05/656007305.db2.gz AIFBCVQUVDWAQK-FXQIFTODSA-N 0 3 291.319 -1.060 20 0 CAADHN C[C@H](N[C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1)c1nnnn1C ZINC001020772972 656007309 /nfs/dbraw/zinc/00/73/09/656007309.db2.gz AIFBCVQUVDWAQK-FXQIFTODSA-N 0 3 291.319 -1.060 20 0 CAADHN C[C@H](N[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1)c1nnnn1C ZINC001020772972 656007314 /nfs/dbraw/zinc/00/73/14/656007314.db2.gz AIFBCVQUVDWAQK-FXQIFTODSA-N 0 3 291.319 -1.060 20 0 CAADHN Cn1cc(CN[C@H]2C[C@H](NC(=O)c3nnc[nH]3)C2)nn1 ZINC001020772974 656007690 /nfs/dbraw/zinc/00/76/90/656007690.db2.gz AKFFEHLWEPAJST-ZKCHVHJHSA-N 0 3 276.304 -1.016 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(N)=O ZINC000970119771 656008052 /nfs/dbraw/zinc/00/80/52/656008052.db2.gz ZUELLFVNXLZQTB-PRJMDXOYSA-N 0 3 297.315 -2.351 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(N)=O ZINC000970119772 656008213 /nfs/dbraw/zinc/00/82/13/656008213.db2.gz ZUELLFVNXLZQTB-RNJXMRFFSA-N 0 3 297.315 -2.351 20 0 CAADHN Cn1cnnc1CN[C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001020781411 656008268 /nfs/dbraw/zinc/00/82/68/656008268.db2.gz IHTHUKXUYCIYCB-ZKCHVHJHSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1cnnc1CN[C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001020781411 656008270 /nfs/dbraw/zinc/00/82/70/656008270.db2.gz IHTHUKXUYCIYCB-ZKCHVHJHSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1nnnc1CN[C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001020781383 656008289 /nfs/dbraw/zinc/00/82/89/656008289.db2.gz GTDWIBVBCAIVCO-LJGSYFOKSA-N 0 3 277.292 -1.621 20 0 CAADHN Cn1nnnc1CN[C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001020781383 656008291 /nfs/dbraw/zinc/00/82/91/656008291.db2.gz GTDWIBVBCAIVCO-LJGSYFOKSA-N 0 3 277.292 -1.621 20 0 CAADHN Cn1nnnc1CN[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001020781383 656008292 /nfs/dbraw/zinc/00/82/92/656008292.db2.gz GTDWIBVBCAIVCO-LJGSYFOKSA-N 0 3 277.292 -1.621 20 0 CAADHN Cc1ccnn1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970126924 656008345 /nfs/dbraw/zinc/00/83/45/656008345.db2.gz BDGPILNJEHOBGX-SNVBAGLBSA-N 0 3 265.317 -1.133 20 0 CAADHN Cn1ncc(CN[C@H]2C[C@H](NC(=O)Cc3nnc[nH]3)C2)n1 ZINC001020904325 656008772 /nfs/dbraw/zinc/00/87/72/656008772.db2.gz UJIIKQPGIIJVNK-KYZUINATSA-N 0 3 290.331 -1.087 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001020905164 656008805 /nfs/dbraw/zinc/00/88/05/656008805.db2.gz VVWZZANAPVHIAT-GUBZILKMSA-N 0 3 292.343 -1.137 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020904040 656008959 /nfs/dbraw/zinc/00/89/59/656008959.db2.gz JWIWJKWHEXVXPD-MGCOHNPYSA-N 0 3 292.343 -1.184 20 0 CAADHN CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001020907347 656009153 /nfs/dbraw/zinc/00/91/53/656009153.db2.gz ZZJCLUKTXNXLCA-CIUDSAMLSA-N 0 3 280.332 -1.152 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](NCCF)C2)c(=O)n(C)c1=O ZINC000970160325 656009499 /nfs/dbraw/zinc/00/94/99/656009499.db2.gz CWOWUCMORHRZTD-SECBINFHSA-N 0 3 298.318 -1.142 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC000970246789 656012952 /nfs/dbraw/zinc/01/29/52/656012952.db2.gz MPPKVHIKBKTTLU-RKDXNWHRSA-N 0 3 268.317 -1.669 20 0 CAADHN C[C@H](NC(=O)[C@H]1CCNC1=O)C1CN(CCCO)C1 ZINC000970274781 656013204 /nfs/dbraw/zinc/01/32/04/656013204.db2.gz OIWFHGSGDDVGDG-ONGXEEELSA-N 0 3 269.345 -1.059 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC000970270415 656013235 /nfs/dbraw/zinc/01/32/35/656013235.db2.gz LXADFVVFOCBFFP-LLVKDONJSA-N 0 3 284.360 -1.616 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)n1 ZINC000970255489 656013257 /nfs/dbraw/zinc/01/32/57/656013257.db2.gz XWWZYOWEDKTMER-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC000970282945 656013420 /nfs/dbraw/zinc/01/34/20/656013420.db2.gz CCLCGRNSIUCGKT-SSDOTTSWSA-N 0 3 283.288 -2.786 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CN(CCCO)C1 ZINC000970271763 656013533 /nfs/dbraw/zinc/01/35/33/656013533.db2.gz VYOSXNLVKNMDHJ-MWLCHTKSSA-N 0 3 284.360 -1.171 20 0 CAADHN O=C(c1cnon1)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC000970303744 656013978 /nfs/dbraw/zinc/01/39/78/656013978.db2.gz OSKPZMVHSBYVQF-HTQZYQBOSA-N 0 3 293.283 -1.321 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2nc3ncccn3n2)C1 ZINC000970300926 656014079 /nfs/dbraw/zinc/01/40/79/656014079.db2.gz FWSASHUNLDTERK-MRVPVSSYSA-N 0 3 289.299 -1.586 20 0 CAADHN C[C@@H](O)CN1CC([C@H](C)NC(=O)c2nnn(C)n2)C1 ZINC000970287818 656014105 /nfs/dbraw/zinc/01/41/05/656014105.db2.gz LSIFAIFNYQILDB-SFYZADRCSA-N 0 3 268.321 -1.359 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cn(CC3CC3)nn2)C1 ZINC000970354692 656014682 /nfs/dbraw/zinc/01/46/82/656014682.db2.gz FIRKHBSQTLBLME-SNVBAGLBSA-N 0 3 292.343 -1.023 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CN(CCCO)C1 ZINC000970359323 656014700 /nfs/dbraw/zinc/01/47/00/656014700.db2.gz QYXRLSLHZOFWGO-PSASIEDQSA-N 0 3 270.333 -1.513 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CN(CCCO)C1 ZINC000970359366 656014715 /nfs/dbraw/zinc/01/47/15/656014715.db2.gz QYXRLSLHZOFWGO-WPRPVWTQSA-N 0 3 270.333 -1.513 20 0 CAADHN Cc1cc(=O)c(C(=O)N2CC[C@@H](NCC(N)=O)C2)c[nH]1 ZINC000970403003 656015028 /nfs/dbraw/zinc/01/50/28/656015028.db2.gz WVGMALZUHHLNTD-SECBINFHSA-N 0 3 278.312 -1.027 20 0 CAADHN C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CN(CCCO)C1 ZINC000970419144 656015139 /nfs/dbraw/zinc/01/51/39/656015139.db2.gz XQXKXGWVOQBBBM-ZMLRMANQSA-N 0 3 299.371 -1.162 20 0 CAADHN Cn1cccc(C(=O)N2CC[C@@H](NCC(N)=O)C2)c1=O ZINC000970511296 656015641 /nfs/dbraw/zinc/01/56/41/656015641.db2.gz GDNBPGRWMZDUBO-SECBINFHSA-N 0 3 278.312 -1.325 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CC(=O)NC(=O)N1)C1CN(CCCO)C1 ZINC000970504975 656015732 /nfs/dbraw/zinc/01/57/32/656015732.db2.gz XSZMYLYEFGMGOO-SCZZXKLOSA-N 0 3 298.343 -1.597 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000970521634 656015786 /nfs/dbraw/zinc/01/57/86/656015786.db2.gz SCPWLSPZPPPZBD-MXWKQRLJSA-N 0 3 294.355 -1.266 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000970521636 656016019 /nfs/dbraw/zinc/01/60/19/656016019.db2.gz SCPWLSPZPPPZBD-VWYCJHECSA-N 0 3 294.355 -1.266 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@H]1CCN(CCCO)C1 ZINC001010693767 656016113 /nfs/dbraw/zinc/01/61/13/656016113.db2.gz WBFLANOXPAHPJT-VIFPVBQESA-N 0 3 269.305 -1.443 20 0 CAADHN C[C@@H](O)CN1CC([C@H](C)NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC000970577648 656016656 /nfs/dbraw/zinc/01/66/56/656016656.db2.gz MTQIJSZYQIYKLN-BDAKNGLRSA-N 0 3 297.355 -1.144 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000970653124 656016977 /nfs/dbraw/zinc/01/69/77/656016977.db2.gz HSXNSCLSRVBVPF-MNOVXSKESA-N 0 3 292.343 -1.253 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000970653123 656017007 /nfs/dbraw/zinc/01/70/07/656017007.db2.gz HSXNSCLSRVBVPF-GHMZBOCLSA-N 0 3 292.343 -1.253 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)Cn2cncn2)C1)N1CCC1 ZINC000970652797 656017017 /nfs/dbraw/zinc/01/70/17/656017017.db2.gz BIEUWZHTHBSHKZ-LLVKDONJSA-N 0 3 292.343 -1.299 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000970653723 656017323 /nfs/dbraw/zinc/01/73/23/656017323.db2.gz QKOVABMVCRKDJS-NXEZZACHSA-N 0 3 278.316 -1.643 20 0 CAADHN Cn1nnc(CN[C@@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC000970720426 656017645 /nfs/dbraw/zinc/01/76/45/656017645.db2.gz TTXJGPZTEMUWSZ-LLVKDONJSA-N 0 3 293.375 -1.004 20 0 CAADHN Cc1csc(=O)n1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970695090 656017680 /nfs/dbraw/zinc/01/76/80/656017680.db2.gz QYSSDGQUFHBQBI-SECBINFHSA-N 0 3 298.368 -1.106 20 0 CAADHN CC(C)CN(CC(N)=O)S(=O)(=O)N1CCNCC1 ZINC000040861488 656017704 /nfs/dbraw/zinc/01/77/04/656017704.db2.gz TXJNIKFYOKIGIY-UHFFFAOYSA-N 0 3 278.378 -1.420 20 0 CAADHN Cn1cc(CNS(=O)(=O)N2CCNCC2)cn1 ZINC000041160192 656017813 /nfs/dbraw/zinc/01/78/13/656017813.db2.gz SGRJWWSCPTVOKV-UHFFFAOYSA-N 0 3 259.335 -1.340 20 0 CAADHN C[C@@H](NS(=O)(=O)N1CCNCC1)C(=O)N(C)C ZINC000040862082 656017849 /nfs/dbraw/zinc/01/78/49/656017849.db2.gz WVCUGZHGRLADPS-MRVPVSSYSA-N 0 3 264.351 -1.797 20 0 CAADHN CCCN(CC(=O)NC)S(=O)(=O)N1CCNCC1 ZINC000040862230 656017932 /nfs/dbraw/zinc/01/79/32/656017932.db2.gz DBWOHGGLTYPBLG-UHFFFAOYSA-N 0 3 278.378 -1.406 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC000970741496 656017981 /nfs/dbraw/zinc/01/79/81/656017981.db2.gz PTAPIAAHLHIOMW-HTQZYQBOSA-N 0 3 290.345 -2.646 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1)C(N)=O ZINC000970725634 656018007 /nfs/dbraw/zinc/01/80/07/656018007.db2.gz HVKDMMNIGIDSQU-IONNQARKSA-N 0 3 293.327 -1.209 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)n(C)c1=O ZINC000970818731 656018200 /nfs/dbraw/zinc/01/82/00/656018200.db2.gz GSYUAQOXDWVKPZ-MRVPVSSYSA-N 0 3 281.316 -1.987 20 0 CAADHN NC(=O)Cn1cc(C(=O)N2CC[C@@H](NCCF)C2)nn1 ZINC000970796218 656018343 /nfs/dbraw/zinc/01/83/43/656018343.db2.gz ISDNRPWBQKIESR-MRVPVSSYSA-N 0 3 284.295 -1.463 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1)C(N)=O ZINC000970819751 656018361 /nfs/dbraw/zinc/01/83/61/656018361.db2.gz RLCUVGMFLMDIPL-RKDXNWHRSA-N 0 3 295.343 -1.598 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCN2CCCC2=O)C1 ZINC000970746797 656018478 /nfs/dbraw/zinc/01/84/78/656018478.db2.gz UVUWPVJNHCKZAH-SNVBAGLBSA-N 0 3 282.344 -1.325 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC000970782158 656018611 /nfs/dbraw/zinc/01/86/11/656018611.db2.gz BQUHMXGNYPVOIK-NXEZZACHSA-N 0 3 292.343 -1.484 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC000970864349 656018814 /nfs/dbraw/zinc/01/88/14/656018814.db2.gz QSPNWMAGNGJNEX-BDAKNGLRSA-N 0 3 283.332 -1.795 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC000970851810 656019060 /nfs/dbraw/zinc/01/90/60/656019060.db2.gz OQNYJKPLELCDBP-SECBINFHSA-N 0 3 291.311 -1.530 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000970856061 656019188 /nfs/dbraw/zinc/01/91/88/656019188.db2.gz FKTHJHLBPPIQMN-SECBINFHSA-N 0 3 251.290 -1.441 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)Cn2ccnc2)C1)C(N)=O ZINC000970856535 656019292 /nfs/dbraw/zinc/01/92/92/656019292.db2.gz MBYNPCQSQHEMCC-NXEZZACHSA-N 0 3 265.317 -1.053 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 ZINC000970901415 656019610 /nfs/dbraw/zinc/01/96/10/656019610.db2.gz MTPDDVDSRDBMNI-SECBINFHSA-N 0 3 291.311 -1.530 20 0 CAADHN C[C@@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C1CN(CCO)C1 ZINC000970868517 656019618 /nfs/dbraw/zinc/01/96/18/656019618.db2.gz LUPYRBNTJOVNGL-MRVPVSSYSA-N 0 3 296.327 -1.472 20 0 CAADHN Cn1cc(CCC(=O)N2CC[C@@H](NCC(N)=O)C2)nn1 ZINC000970877238 656019715 /nfs/dbraw/zinc/01/97/15/656019715.db2.gz WZEGUSSIGKNFTC-SECBINFHSA-N 0 3 280.332 -1.577 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1)C(N)=O ZINC000970888248 656019812 /nfs/dbraw/zinc/01/98/12/656019812.db2.gz UDBZZGOJULKFBA-SDDRHHMPSA-N 0 3 298.387 -1.229 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001021816080 656022674 /nfs/dbraw/zinc/02/26/74/656022674.db2.gz CSDWJLCXMNFSKY-DTORHVGOSA-N 0 3 291.319 -1.761 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000091300668 656023701 /nfs/dbraw/zinc/02/37/01/656023701.db2.gz YMVAFQJYWURMQR-SNVBAGLBSA-N 0 3 291.373 -1.531 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001022082553 656026074 /nfs/dbraw/zinc/02/60/74/656026074.db2.gz CJFBQEBMHUYGJG-DTORHVGOSA-N 0 3 291.319 -1.761 20 0 CAADHN C[C@H](N[C@H]1C[C@@H](NC(=O)C2CS(=O)(=O)C2)C1)C(N)=O ZINC001022134320 656026395 /nfs/dbraw/zinc/02/63/95/656026395.db2.gz UWBWJVLUUISGGP-CNUIFLNQSA-N 0 3 289.357 -1.858 20 0 CAADHN O=C(N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)c1cnc[n-]c1=O ZINC001022257359 656027484 /nfs/dbraw/zinc/02/74/84/656027484.db2.gz QSWFTUCABCWIRE-KHQFGBGNSA-N 0 3 291.311 -1.079 20 0 CAADHN NC(=O)CN[C@H]1C[C@@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001022329920 656027925 /nfs/dbraw/zinc/02/79/25/656027925.db2.gz ZQJVIHQIVNQTQE-DTORHVGOSA-N 0 3 289.357 -1.857 20 0 CAADHN Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001022351813 656028629 /nfs/dbraw/zinc/02/86/29/656028629.db2.gz FRNCCECQUYYFKZ-OCAPTIKFSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1ncnc1CN[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001022351549 656028781 /nfs/dbraw/zinc/02/87/81/656028781.db2.gz BQWNORVMBMMBDH-OCAPTIKFSA-N 0 3 276.304 -1.016 20 0 CAADHN Cn1ccc(=O)c(C(=O)N[C@H]2C[C@@H](NCC(N)=O)C2)c1 ZINC001022409020 656028992 /nfs/dbraw/zinc/02/89/92/656028992.db2.gz PERYWSCMMACPJS-DTORHVGOSA-N 0 3 278.312 -1.279 20 0 CAADHN CN(C[C@H]1CCCO1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926294876 656029332 /nfs/dbraw/zinc/02/93/32/656029332.db2.gz LEAWWQOHXJIDNJ-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CCNC2=O)C1 ZINC000933852398 656029379 /nfs/dbraw/zinc/02/93/79/656029379.db2.gz PRYWKJSDDKFPEU-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001022538495 656030428 /nfs/dbraw/zinc/03/04/28/656030428.db2.gz ZXOYAWWAYKDVEV-WCABBAIRSA-N 0 3 292.343 -1.312 20 0 CAADHN C[C@]1(CO)CCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926344356 656031648 /nfs/dbraw/zinc/03/16/48/656031648.db2.gz WKVMEXZJDGJMOF-CQSZACIVSA-N 0 3 298.387 -1.619 20 0 CAADHN Cn1nccc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001022629518 656031701 /nfs/dbraw/zinc/03/17/01/656031701.db2.gz COVGVPWNYNGVID-WCABBAIRSA-N 0 3 292.343 -1.162 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001022629553 656031750 /nfs/dbraw/zinc/03/17/50/656031750.db2.gz FAKQKUHDSDTVEB-XKSSXDPKSA-N 0 3 293.331 -1.767 20 0 CAADHN Cn1nccc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001022629517 656031939 /nfs/dbraw/zinc/03/19/39/656031939.db2.gz COVGVPWNYNGVID-NGZCFLSTSA-N 0 3 292.343 -1.162 20 0 CAADHN CCn1nnc(C)c1CN[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001022633717 656032516 /nfs/dbraw/zinc/03/25/16/656032516.db2.gz SMEPEWSAFIMHTE-DTORHVGOSA-N 0 3 280.332 -1.171 20 0 CAADHN Cc1nc([C@H](C)N[C@H]2C[C@@H](NC(=O)C(N)=O)C2)n[nH]1 ZINC001022635854 656033129 /nfs/dbraw/zinc/03/31/29/656033129.db2.gz FFFKVJJUGFEORS-APQOSEDMSA-N 0 3 266.305 -1.104 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CC(=O)N1 ZINC000926408713 656034484 /nfs/dbraw/zinc/03/44/84/656034484.db2.gz INNFASJGEDZBPV-JTQLQIEISA-N 0 3 297.359 -2.645 20 0 CAADHN Cn1ncc(C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)n1 ZINC001022851389 656036708 /nfs/dbraw/zinc/03/67/08/656036708.db2.gz JSPMLIYARZTPEV-DTORHVGOSA-N 0 3 290.331 -1.006 20 0 CAADHN C[C@H](N[C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1)c1nnnn1C ZINC001022866570 656038349 /nfs/dbraw/zinc/03/83/49/656038349.db2.gz AIFBCVQUVDWAQK-BIIVOSGPSA-N 0 3 291.319 -1.060 20 0 CAADHN C[C@H](N[C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1)c1nnnn1C ZINC001022866570 656038351 /nfs/dbraw/zinc/03/83/51/656038351.db2.gz AIFBCVQUVDWAQK-BIIVOSGPSA-N 0 3 291.319 -1.060 20 0 CAADHN C[C@H](N[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1)c1nnnn1C ZINC001022866570 656038354 /nfs/dbraw/zinc/03/83/54/656038354.db2.gz AIFBCVQUVDWAQK-BIIVOSGPSA-N 0 3 291.319 -1.060 20 0 CAADHN Cn1cc(CN[C@H]2C[C@@H](NC(=O)c3nnc[nH]3)C2)nn1 ZINC001022866572 656038821 /nfs/dbraw/zinc/03/88/21/656038821.db2.gz AKFFEHLWEPAJST-OCAPTIKFSA-N 0 3 276.304 -1.016 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022953456 656040229 /nfs/dbraw/zinc/04/02/29/656040229.db2.gz QBKAOUMGWRZRRB-YIZRAAEISA-N 0 3 278.316 -1.528 20 0 CAADHN CC[C@@H](O)CCNS(=O)(=O)N1CCNCC1 ZINC000218861182 656040272 /nfs/dbraw/zinc/04/02/72/656040272.db2.gz UBKKHGGNJNSOMS-SECBINFHSA-N 0 3 251.352 -1.113 20 0 CAADHN Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001022953065 656040325 /nfs/dbraw/zinc/04/03/25/656040325.db2.gz FRSDZUOKARJJMC-DTORHVGOSA-N 0 3 290.331 -1.087 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022953449 656040377 /nfs/dbraw/zinc/04/03/77/656040377.db2.gz QBKAOUMGWRZRRB-HRDYMLBCSA-N 0 3 278.316 -1.528 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001022953263 656040408 /nfs/dbraw/zinc/04/04/08/656040408.db2.gz MNXQEPYFEVQJCW-KNVOCYPGSA-N 0 3 252.278 -1.931 20 0 CAADHN CN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)Cc3nnc[n-]3)C2)C1=O ZINC001022956063 656040437 /nfs/dbraw/zinc/04/04/37/656040437.db2.gz NRFCIXWQNHCDGE-KXUCPTDWSA-N 0 3 292.343 -1.185 20 0 CAADHN C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001022956228 656040447 /nfs/dbraw/zinc/04/04/47/656040447.db2.gz WVFKMZHHOCNBEX-BIIVOSGPSA-N 0 3 266.305 -1.542 20 0 CAADHN Cn1ncnc1CN[C@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001022953309 656040570 /nfs/dbraw/zinc/04/05/70/656040570.db2.gz NNVVMBIWDPRVJB-DTORHVGOSA-N 0 3 290.331 -1.087 20 0 CAADHN O=C1NC[C@H]2CN(S(=O)(=O)N3CCNCC3)CCN12 ZINC000091753603 656044517 /nfs/dbraw/zinc/04/45/17/656044517.db2.gz OTPQVEIBUMKOKF-VIFPVBQESA-N 0 3 289.361 -2.154 20 0 CAADHN CNC(=O)CN1CCC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457442 656046687 /nfs/dbraw/zinc/04/66/87/656046687.db2.gz PMUYMCWTQBMOKG-SECBINFHSA-N 0 3 280.332 -1.008 20 0 CAADHN O=C(NC[C@H]1CCCCN1CCO)[C@@H]1CNC(=O)N1 ZINC001024628557 656054226 /nfs/dbraw/zinc/05/42/26/656054226.db2.gz SBXKJUVMOFLKPO-ZJUUUORDSA-N 0 3 270.333 -1.369 20 0 CAADHN NC(=O)CC(=O)N1CCCC[C@@H]1CN[C@H]1CCNC1=O ZINC001024906116 656055487 /nfs/dbraw/zinc/05/54/87/656055487.db2.gz SBKUMPJFWQQGDT-ZJUUUORDSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@@H]1CN[C@H]1CCC(=O)NC1=O ZINC001025063476 656056883 /nfs/dbraw/zinc/05/68/83/656056883.db2.gz GYRWERBKMQPYTK-BDAKNGLRSA-N 0 3 296.327 -1.752 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@@H]1CN[C@H]1CCCNC1=O ZINC001025063842 656056925 /nfs/dbraw/zinc/05/69/25/656056925.db2.gz LBPMLRKSTCZXPN-ZJUUUORDSA-N 0 3 282.344 -1.279 20 0 CAADHN CN1CC[C@@H](NC[C@H]2CCCCN2C(=O)C(N)=O)C1=O ZINC001025064233 656057063 /nfs/dbraw/zinc/05/70/63/656057063.db2.gz OUASOYLQZYPUBQ-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001025064091 656057080 /nfs/dbraw/zinc/05/70/80/656057080.db2.gz MNQBASMCQNBXJH-RKDXNWHRSA-N 0 3 268.317 -1.669 20 0 CAADHN CC1(C)CNC(=O)[C@@H]1NC[C@]12COCCN1C(=O)COC2 ZINC000926804863 656060259 /nfs/dbraw/zinc/06/02/59/656060259.db2.gz XPMQZXZDMKZTCW-SMDDNHRTSA-N 0 3 297.355 -1.272 20 0 CAADHN Cn1oc(C(=O)N2CC[C@H](NCC(N)=O)C2)cc1=O ZINC001018775233 656061452 /nfs/dbraw/zinc/06/14/52/656061452.db2.gz XQIRGMVOHDIMSW-ZETCQYMHSA-N 0 3 268.273 -1.732 20 0 CAADHN CC[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC001025381664 656062995 /nfs/dbraw/zinc/06/29/95/656062995.db2.gz PBGBXECLPGBRHP-IWSPIJDZSA-N 0 3 286.332 -2.500 20 0 CAADHN C[C@H]1CCCN1CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025383321 656063460 /nfs/dbraw/zinc/06/34/60/656063460.db2.gz XBUILOSJXKTJKZ-IVZWLZJFSA-N 0 3 298.343 -2.356 20 0 CAADHN CN(C)C1(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)CCC1 ZINC001025382977 656063488 /nfs/dbraw/zinc/06/34/88/656063488.db2.gz RCTQZLQPRLXKOX-RKDXNWHRSA-N 0 3 298.343 -2.356 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1 ZINC000973533590 656064735 /nfs/dbraw/zinc/06/47/35/656064735.db2.gz JXVUZEQMDCVASH-OPRDCNLKSA-N 0 3 282.344 -1.423 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)n1 ZINC001019258869 656065090 /nfs/dbraw/zinc/06/50/90/656065090.db2.gz WCEKTIOKYGDSOF-YUMQZZPRSA-N 0 3 279.304 -2.097 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CSCC(=O)N1 ZINC000935980954 656065247 /nfs/dbraw/zinc/06/52/47/656065247.db2.gz NAJPTVQMFWXXEN-SFYZADRCSA-N 0 3 261.347 -1.743 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CSCC(=O)N1 ZINC000935980955 656065429 /nfs/dbraw/zinc/06/54/29/656065429.db2.gz NAJPTVQMFWXXEN-YUMQZZPRSA-N 0 3 261.347 -1.743 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001019317798 656065711 /nfs/dbraw/zinc/06/57/11/656065711.db2.gz GCSMZGVZHNVYSY-DTWKUNHWSA-N 0 3 280.328 -1.669 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)n1 ZINC001019511620 656066104 /nfs/dbraw/zinc/06/61/04/656066104.db2.gz YDSLXYIBPBNMOD-JTQLQIEISA-N 0 3 292.343 -1.149 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](N[C@@H]3CCN(C)C3=O)C2)n1 ZINC001019509598 656066272 /nfs/dbraw/zinc/06/62/72/656066272.db2.gz DRDIFGHTGZUWEJ-VHSXEESVSA-N 0 3 292.343 -1.150 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@H]1CCOC1 ZINC001025698698 656066529 /nfs/dbraw/zinc/06/65/29/656066529.db2.gz BKMARVVXOQAQMU-HHHUOAJASA-N 0 3 279.340 -1.042 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CCOC1 ZINC001025698700 656066925 /nfs/dbraw/zinc/06/69/25/656066925.db2.gz BKMARVVXOQAQMU-ZIQFBCGOSA-N 0 3 279.340 -1.042 20 0 CAADHN CCNS(=O)(=O)CCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924611814 656067057 /nfs/dbraw/zinc/06/70/57/656067057.db2.gz GWBFIYGJFGLSBU-MRVPVSSYSA-N 0 3 292.361 -1.592 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@@H]1COC(=O)N1 ZINC001025764383 656068051 /nfs/dbraw/zinc/06/80/51/656068051.db2.gz RNDXIMPZAWPCSS-CVPUBMOQSA-N 0 3 294.311 -1.970 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@H]1COC(=O)N1 ZINC001025764386 656068205 /nfs/dbraw/zinc/06/82/05/656068205.db2.gz RNDXIMPZAWPCSS-ZOZBQHSOSA-N 0 3 294.311 -1.970 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001019745234 656068613 /nfs/dbraw/zinc/06/86/13/656068613.db2.gz HSXNSCLSRVBVPF-WDEREUQCSA-N 0 3 292.343 -1.253 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001019745131 656068811 /nfs/dbraw/zinc/06/88/11/656068811.db2.gz BWECKJFKTDLZLH-QMMMGPOBSA-N 0 3 252.278 -2.046 20 0 CAADHN Cn1nnnc1CN[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019774881 656068866 /nfs/dbraw/zinc/06/88/66/656068866.db2.gz MCAGTDFPIKHSAH-NSHDSACASA-N 0 3 293.375 -1.004 20 0 CAADHN O=C(CN[C@H]1C[C@H](NC(=O)C2CC2)C1)N1CCNC(=O)C1 ZINC001019915238 656068877 /nfs/dbraw/zinc/06/88/77/656068877.db2.gz OUDQETHTCZEMEV-XYPYZODXSA-N 0 3 294.355 -1.408 20 0 CAADHN Cn1nccc1CN[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001019976135 656068988 /nfs/dbraw/zinc/06/89/88/656068988.db2.gz YHNBSHJRMDSJDD-MGCOHNPYSA-N 0 3 290.331 -1.156 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001019996615 656069052 /nfs/dbraw/zinc/06/90/52/656069052.db2.gz JPCNBKFVRMIFSX-NHCYSSNCSA-N 0 3 295.343 -1.033 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001019996614 656069327 /nfs/dbraw/zinc/06/93/27/656069327.db2.gz JPCNBKFVRMIFSX-CKYFFXLPSA-N 0 3 295.343 -1.033 20 0 CAADHN C[C@@H](N[C@H]1C[C@H](NC(=O)C2CS(=O)(=O)C2)C1)C(N)=O ZINC001020193410 656069638 /nfs/dbraw/zinc/06/96/38/656069638.db2.gz UWBWJVLUUISGGP-FTLITQJKSA-N 0 3 289.357 -1.858 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)Cn2nccn2)C1 ZINC001020199115 656069755 /nfs/dbraw/zinc/06/97/55/656069755.db2.gz GJHXDDYCKGOAPE-MGCOHNPYSA-N 0 3 290.331 -1.156 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CCNC1=O ZINC001025939485 656070581 /nfs/dbraw/zinc/07/05/81/656070581.db2.gz MELYUCVHFLSLEA-UVOCVTCTSA-N 0 3 292.339 -1.943 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001026049563 656071309 /nfs/dbraw/zinc/07/13/09/656071309.db2.gz VLXRDNXAEKVJOT-LBWRMUMUSA-N 0 3 292.339 -1.957 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001026141236 656071885 /nfs/dbraw/zinc/07/18/85/656071885.db2.gz DVPPXJGHUYVXMU-KUNJHIDRSA-N 0 3 292.339 -1.800 20 0 CAADHN C[C@@H](O)CNCCS(=O)(=O)N1CCOCC1 ZINC000309415495 656072385 /nfs/dbraw/zinc/07/23/85/656072385.db2.gz KRPAAYTZEJEZSE-SECBINFHSA-N 0 3 252.336 -1.381 20 0 CAADHN Cn1cc(CN[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@H]23)nn1 ZINC001026345245 656073561 /nfs/dbraw/zinc/07/35/61/656073561.db2.gz DOLGHWARGRHQIS-DVVUODLYSA-N 0 3 292.343 -1.373 20 0 CAADHN Cc1nnc(CN[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@H]23)[nH]1 ZINC001026345319 656073611 /nfs/dbraw/zinc/07/36/11/656073611.db2.gz FHMQJAUTIFNOMH-KXUCPTDWSA-N 0 3 292.343 -1.075 20 0 CAADHN Cn1cnnc1CN[C@@H]1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001026347554 656073778 /nfs/dbraw/zinc/07/37/78/656073778.db2.gz XWFURIFRHGIFQM-IVZWLZJFSA-N 0 3 292.343 -1.373 20 0 CAADHN C[C@H](O)CN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008181593 656074146 /nfs/dbraw/zinc/07/41/46/656074146.db2.gz GCWRKIFOLQRNDF-NWDGAFQWSA-N 0 3 298.387 -1.620 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3nc[n-]n3)C[C@@H]12 ZINC001026380007 656074247 /nfs/dbraw/zinc/07/42/47/656074247.db2.gz LKZQLYRRKTYMNB-IWSPIJDZSA-N 0 3 278.316 -1.270 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(N)=O)CCN1CCn1cncn1 ZINC000947679133 656074756 /nfs/dbraw/zinc/07/47/56/656074756.db2.gz GDPPTVKECOIIBD-ZJUUUORDSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@H]1C[C@H](NC(=O)C(N)=O)CCN1CCn1cncn1 ZINC000947679132 656074820 /nfs/dbraw/zinc/07/48/20/656074820.db2.gz GDPPTVKECOIIBD-VHSXEESVSA-N 0 3 280.332 -1.268 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCN(C[C@H]2CCNC(=O)CC2)C1 ZINC001008371622 656075858 /nfs/dbraw/zinc/07/58/58/656075858.db2.gz LWDHTDGGSSDCLY-GHMZBOCLSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)C[NH2+]C1CCC(NC(=O)Cc2nnc[n-]2)CC1 ZINC001026589517 656076774 /nfs/dbraw/zinc/07/67/74/656076774.db2.gz AXNQCJXZFOOXSS-UHFFFAOYSA-N 0 3 280.332 -1.151 20 0 CAADHN O=C(CNC(=O)[C@H]1CCC(=O)N1)NCCN1CCCCC1 ZINC000909325413 656077678 /nfs/dbraw/zinc/07/76/78/656077678.db2.gz NUFSCJDOZYTNBI-LLVKDONJSA-N 0 3 296.371 -1.017 20 0 CAADHN O=C(c1cn[n-]n1)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001026935689 656078530 /nfs/dbraw/zinc/07/85/30/656078530.db2.gz RHVHBKSHOHNSRR-IUCAKERBSA-N 0 3 278.316 -1.255 20 0 CAADHN O=C(c1cn[n-]n1)N1CC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001026935687 656078552 /nfs/dbraw/zinc/07/85/52/656078552.db2.gz RHVHBKSHOHNSRR-BDAKNGLRSA-N 0 3 278.316 -1.255 20 0 CAADHN Cn1ccc(CNC[C@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001027033889 656079116 /nfs/dbraw/zinc/07/91/16/656079116.db2.gz QMHFAHUSHUMYMM-SECBINFHSA-N 0 3 265.317 -1.157 20 0 CAADHN COc1cncc(CNC[C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001027033008 656079203 /nfs/dbraw/zinc/07/92/03/656079203.db2.gz FFGFCCWSLJXQEX-VIFPVBQESA-N 0 3 293.327 -1.091 20 0 CAADHN C[C@H](NC[C@H]1CCN(C(=O)C(N)=O)C1)c1nncn1C ZINC001027033918 656079207 /nfs/dbraw/zinc/07/92/07/656079207.db2.gz REMHMNGBXKOXQV-DTWKUNHWSA-N 0 3 280.332 -1.201 20 0 CAADHN COc1nccc(CNC[C@@H]2CCN(C(=O)C(N)=O)C2)n1 ZINC001027034043 656079253 /nfs/dbraw/zinc/07/92/53/656079253.db2.gz VUNPRAFQLHGFLX-VIFPVBQESA-N 0 3 293.327 -1.091 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)C(N)=O)C[C@H]32)C1 ZINC000977203125 656088458 /nfs/dbraw/zinc/08/84/58/656088458.db2.gz JTWHPZAFQPEZNF-SVDPJWKOSA-N 0 3 294.355 -1.614 20 0 CAADHN CN(CCn1cncn1)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001027554503 656090522 /nfs/dbraw/zinc/09/05/22/656090522.db2.gz RXUGLARYPSKFKX-JTQLQIEISA-N 0 3 280.332 -1.314 20 0 CAADHN NC(=O)CN1C[C@@H]2[C@@H](CNC(=O)c3nnc[nH]3)[C@@H]2C1 ZINC000978877310 656093595 /nfs/dbraw/zinc/09/35/95/656093595.db2.gz IKWXDNMGIKRLPK-WHUPJOBBSA-N 0 3 264.289 -1.802 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@H]1CCC(=O)N1 ZINC001027790369 656094851 /nfs/dbraw/zinc/09/48/51/656094851.db2.gz HJAWIGPNZARBJI-VHSXEESVSA-N 0 3 255.318 -1.162 20 0 CAADHN C[C@@H](NCc1cncn1C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979356699 656094910 /nfs/dbraw/zinc/09/49/10/656094910.db2.gz JCNWNOUNMSLLIB-KOLCDFICSA-N 0 3 295.343 -1.389 20 0 CAADHN Cc1nc(CN[C@H](C)[C@H]2CN(C(=O)C(N)=O)CCO2)n[nH]1 ZINC000979354957 656095069 /nfs/dbraw/zinc/09/50/69/656095069.db2.gz FETOTPKRBWCJIZ-VXNVDRBHSA-N 0 3 296.331 -1.696 20 0 CAADHN C[C@@H](NCc1ccnn1C)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979358851 656095199 /nfs/dbraw/zinc/09/51/99/656095199.db2.gz MSXCTPOLWQWVFH-KOLCDFICSA-N 0 3 295.343 -1.389 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@H]2CCCN2CCO)C1 ZINC001027806053 656095456 /nfs/dbraw/zinc/09/54/56/656095456.db2.gz CEEKOJVTANQCJW-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@H]2CCCN2CCO)C1 ZINC001027806057 656095575 /nfs/dbraw/zinc/09/55/75/656095575.db2.gz CEEKOJVTANQCJW-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@@H]2CCCN2CCO)C1 ZINC001027806056 656095876 /nfs/dbraw/zinc/09/58/76/656095876.db2.gz CEEKOJVTANQCJW-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCOC[C@H]1C(=O)NC[C@@H]1CCCN1CCO ZINC001027835301 656096116 /nfs/dbraw/zinc/09/61/16/656096116.db2.gz ZFWDETXUQGKQEO-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCOC[C@H]1C(=O)NC[C@H]1CCCN1CCO ZINC001027835299 656096527 /nfs/dbraw/zinc/09/65/27/656096527.db2.gz ZFWDETXUQGKQEO-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677064 656099533 /nfs/dbraw/zinc/09/95/33/656099533.db2.gz FTIQESWMZZRWLQ-JTQLQIEISA-N 0 3 268.321 -1.412 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000980677068 656099893 /nfs/dbraw/zinc/09/98/93/656099893.db2.gz FTIQESWMZZRWLQ-SNVBAGLBSA-N 0 3 268.321 -1.412 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)NC[C@@H]2CCCN2CCO)c1=O ZINC001028069843 656103536 /nfs/dbraw/zinc/10/35/36/656103536.db2.gz QZDRHXCPLFNRSZ-VIFPVBQESA-N 0 3 296.327 -1.328 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H]2CCCN2CCO)NC1=O ZINC001028069043 656103559 /nfs/dbraw/zinc/10/35/59/656103559.db2.gz AGEHLNQQEZLTOJ-VHSXEESVSA-N 0 3 270.333 -1.417 20 0 CAADHN Cn1cc(CN[C@@H]2CCC[C@@H](NC(=O)C(N)=O)C2)nn1 ZINC000981303300 656104072 /nfs/dbraw/zinc/10/40/72/656104072.db2.gz KEKAFUTYPFEQSK-RKDXNWHRSA-N 0 3 280.332 -1.183 20 0 CAADHN C[C@@H](O)CN1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028078107 656104081 /nfs/dbraw/zinc/10/40/81/656104081.db2.gz CJUTWEPOJRXKQV-BDAKNGLRSA-N 0 3 268.321 -1.215 20 0 CAADHN C[C@@H](O)CN1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001028078110 656104278 /nfs/dbraw/zinc/10/42/78/656104278.db2.gz CJUTWEPOJRXKQV-RKDXNWHRSA-N 0 3 268.321 -1.215 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CCCN(CCCO)CC1 ZINC000981358652 656104736 /nfs/dbraw/zinc/10/47/36/656104736.db2.gz RTYPYIWFEGWBSZ-JTQLQIEISA-N 0 3 298.343 -1.499 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)CN2CCOCC2=O)CC1 ZINC000981344638 656105129 /nfs/dbraw/zinc/10/51/29/656105129.db2.gz AWSFDSOQPUYUSK-LBPRGKRZSA-N 0 3 299.371 -1.240 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H]2CCCN2CCCO)n1 ZINC001028081281 656105149 /nfs/dbraw/zinc/10/51/49/656105149.db2.gz NRJUSGVBZLYACQ-VIFPVBQESA-N 0 3 268.321 -1.213 20 0 CAADHN NC(=O)CCNCCS(=O)(=O)N1CCOCC1 ZINC000310193956 656105209 /nfs/dbraw/zinc/10/52/09/656105209.db2.gz ATBWMHRKBDUOLP-UHFFFAOYSA-N 0 3 265.335 -1.887 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000981502918 656105535 /nfs/dbraw/zinc/10/55/35/656105535.db2.gz BQCCTTAQMPRRPP-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN O=C(Cn1cnnn1)N1CC2(C1)CCCN(CCO)C2 ZINC000981613370 656105598 /nfs/dbraw/zinc/10/55/98/656105598.db2.gz NPJFMDZYPUCJCX-UHFFFAOYSA-N 0 3 280.332 -1.410 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@@H]1CNC(=O)N1 ZINC001028109959 656105861 /nfs/dbraw/zinc/10/58/61/656105861.db2.gz QFOLFRZIOHEPJT-IUCAKERBSA-N 0 3 256.306 -1.759 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CNC(=O)N1 ZINC001028111841 656106338 /nfs/dbraw/zinc/10/63/38/656106338.db2.gz YSONQSYJPSEQHK-ZJUUUORDSA-N 0 3 270.333 -1.105 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN2CCO)O1 ZINC001028134398 656107340 /nfs/dbraw/zinc/10/73/40/656107340.db2.gz UQLILAASFCUDQW-GARJFASQSA-N 0 3 285.344 -1.408 20 0 CAADHN CN1CCN(S(=O)(=O)N2CCNCC2)C(C)(C)C1=O ZINC000094866237 656107843 /nfs/dbraw/zinc/10/78/43/656107843.db2.gz PVVNSUGZTNOFKD-UHFFFAOYSA-N 0 3 290.389 -1.311 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN1CCO ZINC001028140424 656107886 /nfs/dbraw/zinc/10/78/86/656107886.db2.gz OCUKNRBACZUMQG-AEJSXWLSSA-N 0 3 255.318 -1.319 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000981852848 656107932 /nfs/dbraw/zinc/10/79/32/656107932.db2.gz INSZIYFENIOEQK-NXEZZACHSA-N 0 3 270.333 -1.417 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981751072 656108022 /nfs/dbraw/zinc/10/80/22/656108022.db2.gz MMQZPRUWJQNJDQ-WDEREUQCSA-N 0 3 284.360 -1.075 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 ZINC000981751061 656108052 /nfs/dbraw/zinc/10/80/52/656108052.db2.gz MMQZPRUWJQNJDQ-GHMZBOCLSA-N 0 3 284.360 -1.075 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1CCCN(CCCO)CC1 ZINC000981854043 656108552 /nfs/dbraw/zinc/10/85/52/656108552.db2.gz ZNPBPZOMTFUUSV-JTQLQIEISA-N 0 3 270.333 -1.416 20 0 CAADHN NC(=O)C(=O)N1CCCN(C[C@H]2CCNC(=O)CC2)CC1 ZINC000981862007 656108598 /nfs/dbraw/zinc/10/85/98/656108598.db2.gz PYPGJBABBFYALF-LLVKDONJSA-N 0 3 296.371 -1.078 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)C1=CCOCC1 ZINC000957992823 656109977 /nfs/dbraw/zinc/10/99/77/656109977.db2.gz ZINRGJPCHHVLSC-VXGBXAGGSA-N 0 3 270.329 -1.266 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000982238265 656110495 /nfs/dbraw/zinc/11/04/95/656110495.db2.gz YPZJCUIWCZEFNW-SNVBAGLBSA-N 0 3 298.343 -1.547 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N1CCCN(CCCO)CC1 ZINC000982237926 656110608 /nfs/dbraw/zinc/11/06/08/656110608.db2.gz MYFHJLFXCFNKHN-UHFFFAOYSA-N 0 3 298.343 -1.545 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)C2CC(=O)NC(=O)C2)CC1 ZINC000982201305 656110723 /nfs/dbraw/zinc/11/07/23/656110723.db2.gz CPKLSIWDZSSMBX-SNVBAGLBSA-N 0 3 297.355 -1.046 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cnco1 ZINC000958300392 656110887 /nfs/dbraw/zinc/11/08/87/656110887.db2.gz PQJSJWIGHLYNAF-RKDXNWHRSA-N 0 3 255.274 -1.311 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000982043845 656111034 /nfs/dbraw/zinc/11/10/34/656111034.db2.gz ZADCPVZWOMYDEL-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CCCN2CCO)c(=O)[nH]c1=O ZINC001028312624 656113221 /nfs/dbraw/zinc/11/32/21/656113221.db2.gz NQSBVLSVWIWZFM-SECBINFHSA-N 0 3 296.327 -1.328 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CCCN2CCO)n(C)c1=O ZINC001028337577 656113410 /nfs/dbraw/zinc/11/34/10/656113410.db2.gz OJESCCHWDYECBJ-SNVBAGLBSA-N 0 3 282.344 -1.090 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CCCN2CCO)c(=O)[nH]c1=O ZINC001028312625 656113452 /nfs/dbraw/zinc/11/34/52/656113452.db2.gz NQSBVLSVWIWZFM-VIFPVBQESA-N 0 3 296.327 -1.328 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CCCN2CCO)n(C)c1=O ZINC001028337576 656113539 /nfs/dbraw/zinc/11/35/39/656113539.db2.gz OJESCCHWDYECBJ-JTQLQIEISA-N 0 3 282.344 -1.090 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)NC[C@@H]1CCCN1CCO ZINC001028326274 656113560 /nfs/dbraw/zinc/11/35/60/656113560.db2.gz KIOHDUXECMKOAG-STQMWFEESA-N 0 3 299.371 -1.193 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)NC[C@@H]1CCCN1CCO ZINC001028326273 656113619 /nfs/dbraw/zinc/11/36/19/656113619.db2.gz KIOHDUXECMKOAG-QWHCGFSZSA-N 0 3 299.371 -1.193 20 0 CAADHN COC[C@@H]1COCCN1S(=O)(=O)N1CCNCC1 ZINC000923746428 656114555 /nfs/dbraw/zinc/11/45/55/656114555.db2.gz MYISJRRBZGKBAL-SNVBAGLBSA-N 0 3 279.362 -1.516 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660823 656116757 /nfs/dbraw/zinc/11/67/57/656116757.db2.gz XQARFVIQHXMCLN-NSHDSACASA-N 0 3 282.348 -1.022 20 0 CAADHN O=C(CCn1cnnn1)N1CCCN(CCCO)CC1 ZINC000982683107 656116998 /nfs/dbraw/zinc/11/69/98/656116998.db2.gz OKWPDDPXAPLFJQ-UHFFFAOYSA-N 0 3 282.348 -1.020 20 0 CAADHN CO[C@@H]1COC[C@@H]1N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924929703 656118426 /nfs/dbraw/zinc/11/84/26/656118426.db2.gz CJGXSPAMZBWEBP-XHNCKOQMSA-N 0 3 257.290 -1.118 20 0 CAADHN CO[C@@H]1COC[C@H]1N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924957571 656119046 /nfs/dbraw/zinc/11/90/46/656119046.db2.gz CJGXSPAMZBWEBP-DJLDLDEBSA-N 0 3 257.290 -1.118 20 0 CAADHN CN(C)C[C@H]1NC(=O)N([C@@H]2CCc3nnnn3CC2)C1=O ZINC000924947507 656119097 /nfs/dbraw/zinc/11/90/97/656119097.db2.gz RGDYXROIRAKPRG-RKDXNWHRSA-N 0 3 293.331 -1.140 20 0 CAADHN CN(C)C[C@H]1NC(=O)N([C@H]2CCc3nnnn3CC2)C1=O ZINC000924947500 656119113 /nfs/dbraw/zinc/11/91/13/656119113.db2.gz RGDYXROIRAKPRG-DTWKUNHWSA-N 0 3 293.331 -1.140 20 0 CAADHN CCN(OC)C(=O)CN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924958702 656119139 /nfs/dbraw/zinc/11/91/39/656119139.db2.gz GIWPFNKZVIUFOB-MRVPVSSYSA-N 0 3 272.305 -1.122 20 0 CAADHN CN1C[C@H](O)C[C@@H]1CNC(=O)[C@@]1(C)C[C@H](O)CN1C ZINC000924973721 656121437 /nfs/dbraw/zinc/12/14/37/656121437.db2.gz FNXFFUXASMJQNT-HNCHTBHHSA-N 0 3 271.361 -1.377 20 0 CAADHN CC1=C(C(=O)NCCN(C)CCO)Cn2nnnc2N1C ZINC000924997286 656122179 /nfs/dbraw/zinc/12/21/79/656122179.db2.gz FLBOUURSSHJEHR-UHFFFAOYSA-N 0 3 295.347 -1.563 20 0 CAADHN CN(C)C(=O)CN1CC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001028876818 656122694 /nfs/dbraw/zinc/12/26/94/656122694.db2.gz JICXSEMYTGMYFO-VIFPVBQESA-N 0 3 280.332 -1.055 20 0 CAADHN O=C(NC[C@@H]1CCN([C@@H]2CCNC2=O)C1)c1nnc[nH]1 ZINC001028877102 656122714 /nfs/dbraw/zinc/12/27/14/656122714.db2.gz PGOSOOZMBXEAAP-DTWKUNHWSA-N 0 3 278.316 -1.255 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001028877036 656123190 /nfs/dbraw/zinc/12/31/90/656123190.db2.gz NAYZCTRQBXDDEV-YUMQZZPRSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@H](C(=O)NCCN(C)CCO)N1C(=O)CCC1=O ZINC000925007835 656123219 /nfs/dbraw/zinc/12/32/19/656123219.db2.gz BZRSWDXSLXVRIE-SECBINFHSA-N 0 3 271.317 -1.436 20 0 CAADHN CON(C)C(=O)[C@H](C)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000925027560 656123422 /nfs/dbraw/zinc/12/34/22/656123422.db2.gz KVWZCWZQOILIBB-YUMQZZPRSA-N 0 3 272.305 -1.123 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCN1C ZINC000928423386 656124274 /nfs/dbraw/zinc/12/42/74/656124274.db2.gz AOBCQRPTWZDIRI-ZJUUUORDSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@H]1[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCN1C ZINC000928440535 656124875 /nfs/dbraw/zinc/12/48/75/656124875.db2.gz BIEJCYXKYRNJFE-WCBMZHEXSA-N 0 3 280.328 -1.094 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928438132 656124993 /nfs/dbraw/zinc/12/49/93/656124993.db2.gz SOUGJOQPKOUIFL-HTQZYQBOSA-N 0 3 264.351 -1.751 20 0 CAADHN C[C@H]1[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)CCN1C ZINC000928458587 656125222 /nfs/dbraw/zinc/12/52/22/656125222.db2.gz SVTUPAQMRVGZTC-VHSXEESVSA-N 0 3 280.328 -1.244 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@@H]2COC(=O)C2)C1 ZINC000923747941 656128257 /nfs/dbraw/zinc/12/82/57/656128257.db2.gz ZINKPXVKSFIDEZ-KWQFWETISA-N 0 3 257.290 -1.332 20 0 CAADHN COc1ccc(CNC[C@H]2C[C@H](NC(=O)C(N)=O)C2)nn1 ZINC000984724662 656129323 /nfs/dbraw/zinc/12/93/23/656129323.db2.gz FIATYQXTGNHWDM-CZMCAQCFSA-N 0 3 293.327 -1.045 20 0 CAADHN COc1nccc(CNC[C@H]2C[C@H](NC(=O)C(N)=O)C2)n1 ZINC000984724494 656129675 /nfs/dbraw/zinc/12/96/75/656129675.db2.gz AMKFKPFKUSMEKD-CZMCAQCFSA-N 0 3 293.327 -1.045 20 0 CAADHN Cn1nnnc1CNC[C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC000984935779 656129777 /nfs/dbraw/zinc/12/97/77/656129777.db2.gz BKYWTLBBNLAFIZ-ZKCHVHJHSA-N 0 3 291.319 -1.374 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000985022409 656130278 /nfs/dbraw/zinc/13/02/78/656130278.db2.gz XVGXXTKQXVCPQD-GUBZILKMSA-N 0 3 292.343 -1.280 20 0 CAADHN CN(CC(N)=O)C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000985352676 656130818 /nfs/dbraw/zinc/13/08/18/656130818.db2.gz VNGGQEGUZCEISK-LBPRGKRZSA-N 0 3 298.387 -1.275 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985342529 656131064 /nfs/dbraw/zinc/13/10/64/656131064.db2.gz PZIPQJKEWOJDIK-QMMMGPOBSA-N 0 3 270.333 -1.342 20 0 CAADHN CN(CC(N)=O)C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000985352666 656131110 /nfs/dbraw/zinc/13/11/10/656131110.db2.gz VNGGQEGUZCEISK-GFCCVEGCSA-N 0 3 298.387 -1.275 20 0 CAADHN CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)[C@H]1CCCNC1=O ZINC001029681834 656132492 /nfs/dbraw/zinc/13/24/92/656132492.db2.gz NJRMLJMKGLAFEH-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)[C@H]1CCNC1=O ZINC001029682482 656132540 /nfs/dbraw/zinc/13/25/40/656132540.db2.gz VXQKLEMPJWTDGL-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)[C@H]1CCN(C)C1=O ZINC001029684471 656132560 /nfs/dbraw/zinc/13/25/60/656132560.db2.gz VUGZLTLKYIMWFQ-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC000985432425 656132771 /nfs/dbraw/zinc/13/27/71/656132771.db2.gz FWKFILUAJDKXTG-VIFPVBQESA-N 0 3 295.347 -1.530 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)C(N)=O)CN1C(=O)CN1CCCC1 ZINC001012650953 656133031 /nfs/dbraw/zinc/13/30/31/656133031.db2.gz YHUWLFKKBUMZAC-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000985577412 656133064 /nfs/dbraw/zinc/13/30/64/656133064.db2.gz ODBHCQDFSZAKNH-ONGXEEELSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(CC(N)=O)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000985516606 656133120 /nfs/dbraw/zinc/13/31/20/656133120.db2.gz BEGCFYCOXFESOW-UHFFFAOYSA-N 0 3 266.305 -1.174 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)[C@H]1CCCNC1=O ZINC001029822254 656133579 /nfs/dbraw/zinc/13/35/79/656133579.db2.gz ADJCVNFCQNOYCK-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC000985609159 656133649 /nfs/dbraw/zinc/13/36/49/656133649.db2.gz XKJMRTHPTRLJJE-PSASIEDQSA-N 0 3 297.359 -1.536 20 0 CAADHN CN([C@@H]1CCNC1=O)C1CCN(C(=O)C(N)=O)CC1 ZINC000985614099 656133696 /nfs/dbraw/zinc/13/36/96/656133696.db2.gz SVEQPWYARIWKIC-SECBINFHSA-N 0 3 268.317 -1.717 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)[C@@H]1CCCNC1=O ZINC001029822255 656133875 /nfs/dbraw/zinc/13/38/75/656133875.db2.gz ADJCVNFCQNOYCK-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)[C@@H]1CCNC1=O ZINC001029823408 656133912 /nfs/dbraw/zinc/13/39/12/656133912.db2.gz SWWJYLLGLXLHLQ-DTWKUNHWSA-N 0 3 268.317 -1.860 20 0 CAADHN CN(C[C@H]1CCN(C(=O)C(N)=O)C1)[C@H]1CCCNC1=O ZINC001029822256 656134003 /nfs/dbraw/zinc/13/40/03/656134003.db2.gz ADJCVNFCQNOYCK-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cc[n+]([O-])cc1 ZINC000985921120 656135168 /nfs/dbraw/zinc/13/51/68/656135168.db2.gz LKFTUAIZKSNVII-KOLCDFICSA-N 0 3 278.312 -1.002 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1=COCCO1 ZINC000985919613 656135172 /nfs/dbraw/zinc/13/51/72/656135172.db2.gz IAIJFWMVTVAOEX-BDAKNGLRSA-N 0 3 269.301 -1.061 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)C1=COCCO1 ZINC000985919619 656135180 /nfs/dbraw/zinc/13/51/80/656135180.db2.gz IAIJFWMVTVAOEX-RKDXNWHRSA-N 0 3 269.301 -1.061 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CCCC1=O ZINC000985962104 656135196 /nfs/dbraw/zinc/13/51/96/656135196.db2.gz YGGBPKAJJCKXMB-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1cnnn1 ZINC000985949334 656135219 /nfs/dbraw/zinc/13/52/19/656135219.db2.gz XJKHRTQYEHFANO-SFYZADRCSA-N 0 3 267.293 -2.263 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCn1cncn1 ZINC000986004995 656135333 /nfs/dbraw/zinc/13/53/33/656135333.db2.gz SELYVTGNWUJFRL-UWVGGRQHSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)C1=COCCO1 ZINC000985919615 656135357 /nfs/dbraw/zinc/13/53/57/656135357.db2.gz IAIJFWMVTVAOEX-DTWKUNHWSA-N 0 3 269.301 -1.061 20 0 CAADHN CCC(=O)N1CC[C@H](NCC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000985852028 656135370 /nfs/dbraw/zinc/13/53/70/656135370.db2.gz ZYEWTGNRFQHNHU-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CCCC1=O ZINC000985962111 656135375 /nfs/dbraw/zinc/13/53/75/656135375.db2.gz YGGBPKAJJCKXMB-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)CC(N)=O ZINC000986111899 656135588 /nfs/dbraw/zinc/13/55/88/656135588.db2.gz NIGIWZHCFCSMDI-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1nccnc1N ZINC000986070370 656135626 /nfs/dbraw/zinc/13/56/26/656135626.db2.gz PTIVFORJNMJKGR-HTQZYQBOSA-N 0 3 278.316 -1.263 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CC(N)=O ZINC000986111912 656135824 /nfs/dbraw/zinc/13/58/24/656135824.db2.gz NIGIWZHCFCSMDI-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1nccnc1N ZINC000986070372 656135897 /nfs/dbraw/zinc/13/58/97/656135897.db2.gz PTIVFORJNMJKGR-JGVFFNPUSA-N 0 3 278.316 -1.263 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1nccnc1N ZINC000986070375 656136017 /nfs/dbraw/zinc/13/60/17/656136017.db2.gz PTIVFORJNMJKGR-SFYZADRCSA-N 0 3 278.316 -1.263 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@H](NCC(N)=O)[C@H]2C)C1 ZINC000986207019 656136094 /nfs/dbraw/zinc/13/60/94/656136094.db2.gz LOVVUQPYYPQEOD-KCJUWKMLSA-N 0 3 282.344 -1.471 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@H](NCC(N)=O)[C@H]2C)n1 ZINC000986266073 656136203 /nfs/dbraw/zinc/13/62/03/656136203.db2.gz NRJQQHCLVRXQRF-BDAKNGLRSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cn(C)nn1 ZINC000986236166 656136261 /nfs/dbraw/zinc/13/62/61/656136261.db2.gz VKUPHDMBBRXEHD-YUMQZZPRSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CN=NC1=O ZINC000986181212 656136349 /nfs/dbraw/zinc/13/63/49/656136349.db2.gz FYGCDDMIALEVFK-SFYZADRCSA-N 0 3 282.304 -1.952 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1ncnn1 ZINC000986274136 656136359 /nfs/dbraw/zinc/13/63/59/656136359.db2.gz AEJHKOKSJZVFOU-YUMQZZPRSA-N 0 3 267.293 -2.263 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cn(C)nn1 ZINC000986236155 656136374 /nfs/dbraw/zinc/13/63/74/656136374.db2.gz VKUPHDMBBRXEHD-HTQZYQBOSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cc(=O)n(C)o1 ZINC000986222796 656136426 /nfs/dbraw/zinc/13/64/26/656136426.db2.gz YOAGRVMHRIGHAS-HTQZYQBOSA-N 0 3 282.300 -1.344 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1ncnn1 ZINC000986274133 656136428 /nfs/dbraw/zinc/13/64/28/656136428.db2.gz AEJHKOKSJZVFOU-JGVFFNPUSA-N 0 3 267.293 -2.263 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC000986243197 656136487 /nfs/dbraw/zinc/13/64/87/656136487.db2.gz JMLUJEGRVWIRPF-RKDXNWHRSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cnn(C)c1N ZINC000986182654 656136524 /nfs/dbraw/zinc/13/65/24/656136524.db2.gz ULDALBDJWNHTHC-IONNQARKSA-N 0 3 280.332 -1.320 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC000986243190 656136552 /nfs/dbraw/zinc/13/65/52/656136552.db2.gz JMLUJEGRVWIRPF-BDAKNGLRSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cc2n(n1)CCO2 ZINC000986360641 656136723 /nfs/dbraw/zinc/13/67/23/656136723.db2.gz YCVKFAMJRXJMHQ-DTWKUNHWSA-N 0 3 293.327 -1.047 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)C1CS(=O)(=O)C1 ZINC000986301139 656136735 /nfs/dbraw/zinc/13/67/35/656136735.db2.gz KHZSLUBMMCGEIG-VXNVDRBHSA-N 0 3 289.357 -1.905 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC000986392797 656136780 /nfs/dbraw/zinc/13/67/80/656136780.db2.gz LWPIGYYDUXQBLL-CBAPKCEASA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cc2n(n1)CCO2 ZINC000986360642 656136792 /nfs/dbraw/zinc/13/67/92/656136792.db2.gz YCVKFAMJRXJMHQ-IUCAKERBSA-N 0 3 293.327 -1.047 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CCOCC1=O ZINC000986360436 656136840 /nfs/dbraw/zinc/13/68/40/656136840.db2.gz XMOPEXVCXDTUHZ-VHSXEESVSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CCOCC1=O ZINC000986360434 656136895 /nfs/dbraw/zinc/13/68/95/656136895.db2.gz XMOPEXVCXDTUHZ-NXEZZACHSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC000986378741 656136898 /nfs/dbraw/zinc/13/68/98/656136898.db2.gz BUNNLJRAEVUCNU-BDAKNGLRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cc(=O)n(C)cn1 ZINC000986378742 656136943 /nfs/dbraw/zinc/13/69/43/656136943.db2.gz BUNNLJRAEVUCNU-DTWKUNHWSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC000986392800 656136952 /nfs/dbraw/zinc/13/69/52/656136952.db2.gz LWPIGYYDUXQBLL-VXNVDRBHSA-N 0 3 279.300 -1.140 20 0 CAADHN CN(CC1CCN(C(=O)CC(N)=O)CC1)[C@H]1CCNC1=O ZINC001029948632 656137185 /nfs/dbraw/zinc/13/71/85/656137185.db2.gz RQQQSHIPLRDVFC-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CN(CC1CCN(C(=O)CC(N)=O)CC1)[C@@H]1CCNC1=O ZINC001029948631 656137223 /nfs/dbraw/zinc/13/72/23/656137223.db2.gz RQQQSHIPLRDVFC-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CCCNC1=O ZINC000986483405 656137274 /nfs/dbraw/zinc/13/72/74/656137274.db2.gz QIVPFYMREHCGBT-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN C[C@H]1[C@H](NCCF)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986668827 656137473 /nfs/dbraw/zinc/13/74/73/656137473.db2.gz HKTBFJSLXXZFSW-WDEREUQCSA-N 0 3 286.351 -1.033 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC000986641316 656137484 /nfs/dbraw/zinc/13/74/84/656137484.db2.gz GIJUQETYUXPVKJ-JGVFFNPUSA-N 0 3 266.305 -1.209 20 0 CAADHN CCn1cc(CC(=O)N2CC[C@@H](NCC(N)=O)[C@H]2C)nn1 ZINC000986598747 656137513 /nfs/dbraw/zinc/13/75/13/656137513.db2.gz CGTASQUFZWBFHX-MWLCHTKSSA-N 0 3 294.359 -1.095 20 0 CAADHN CCn1cc(CC(=O)N2CC[C@@H](NCC(N)=O)[C@@H]2C)nn1 ZINC000986598731 656137645 /nfs/dbraw/zinc/13/76/45/656137645.db2.gz CGTASQUFZWBFHX-GXSJLCMTSA-N 0 3 294.359 -1.095 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1c[nH]c(=O)n1C ZINC000986664086 656137653 /nfs/dbraw/zinc/13/76/53/656137653.db2.gz ODHOVINMZOUIQD-SFYZADRCSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1nnn(C)n1 ZINC000986655520 656137664 /nfs/dbraw/zinc/13/76/64/656137664.db2.gz ITNBOWIOLLMOPQ-BQBZGAKWSA-N 0 3 267.293 -2.112 20 0 CAADHN C[C@@H]1[C@@H](NCc2cnn(C)c2)CCN1C(=O)C(N)=O ZINC000986774745 656137827 /nfs/dbraw/zinc/13/78/27/656137827.db2.gz CFIRWEXNELAUDV-SCZZXKLOSA-N 0 3 265.317 -1.016 20 0 CAADHN C[C@H]1[C@@H](NCc2cncn2C)CCN1C(=O)C(N)=O ZINC000986781039 656137883 /nfs/dbraw/zinc/13/78/83/656137883.db2.gz QLMRRXOZHMJVME-WPRPVWTQSA-N 0 3 265.317 -1.016 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)C(N)=O ZINC000986780558 656137893 /nfs/dbraw/zinc/13/78/93/656137893.db2.gz PQKUGLICYBPQNC-BDAKNGLRSA-N 0 3 268.317 -1.717 20 0 CAADHN C[C@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)C(N)=O ZINC000986780560 656137905 /nfs/dbraw/zinc/13/79/05/656137905.db2.gz PQKUGLICYBPQNC-DTWKUNHWSA-N 0 3 268.317 -1.717 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)N2CCCC2)CCN1C(=O)C(N)=O ZINC000986780023 656138024 /nfs/dbraw/zinc/13/80/24/656138024.db2.gz OIAGZBRLZKNARB-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)C(N)=O ZINC000986780561 656138077 /nfs/dbraw/zinc/13/80/77/656138077.db2.gz PQKUGLICYBPQNC-IUCAKERBSA-N 0 3 268.317 -1.717 20 0 CAADHN CN(CC1CCN(C(=O)C(N)=O)CC1)[C@@H]1CCNC1=O ZINC001029989846 656138406 /nfs/dbraw/zinc/13/84/06/656138406.db2.gz IYNAORZTNMEYAT-SNVBAGLBSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCc1cnn(C)n1 ZINC000986962987 656138571 /nfs/dbraw/zinc/13/85/71/656138571.db2.gz VRCYSRUUGYTDJY-KOLCDFICSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC000986856213 656138622 /nfs/dbraw/zinc/13/86/22/656138622.db2.gz QZOLEVUOFYLJMT-HTQZYQBOSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N2CCOCC2)CCN1C(=O)C(N)=O ZINC000986783317 656138837 /nfs/dbraw/zinc/13/88/37/656138837.db2.gz WAFLPUUVGLVKQF-UWVGGRQHSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC000986987830 656139150 /nfs/dbraw/zinc/13/91/50/656139150.db2.gz SMWOJZIIWHNPFT-JGVFFNPUSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC000986987807 656139405 /nfs/dbraw/zinc/13/94/05/656139405.db2.gz SMWOJZIIWHNPFT-HTQZYQBOSA-N 0 3 293.327 -1.209 20 0 CAADHN CCn1cc(C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)nn1 ZINC000987267859 656139939 /nfs/dbraw/zinc/13/99/39/656139939.db2.gz ODHGDQATIRLZCT-IUCAKERBSA-N 0 3 280.332 -1.024 20 0 CAADHN CCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)[C@H]2C)nn1 ZINC000987267861 656139949 /nfs/dbraw/zinc/13/99/49/656139949.db2.gz ODHGDQATIRLZCT-RKDXNWHRSA-N 0 3 280.332 -1.024 20 0 CAADHN CCn1cc(C(=O)N2CC[C@H](NCC(N)=O)[C@H]2C)nn1 ZINC000987267857 656140012 /nfs/dbraw/zinc/14/00/12/656140012.db2.gz ODHGDQATIRLZCT-BDAKNGLRSA-N 0 3 280.332 -1.024 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001030017112 656140108 /nfs/dbraw/zinc/14/01/08/656140108.db2.gz IZRHOCYHYNPMLR-GARJFASQSA-N 0 3 294.355 -1.266 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC000987280110 656140221 /nfs/dbraw/zinc/14/02/21/656140221.db2.gz MRJGUVQQWVDBGP-BDAKNGLRSA-N 0 3 281.316 -1.015 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@@H](NCC(N)=O)[C@@H]1C ZINC000987280113 656140278 /nfs/dbraw/zinc/14/02/78/656140278.db2.gz MRJGUVQQWVDBGP-DTWKUNHWSA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1ccccc1=O ZINC000987493590 656140638 /nfs/dbraw/zinc/14/06/38/656140638.db2.gz OYFIDIKVPAIILP-QWRGUYRKSA-N 0 3 292.339 -1.087 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1cncn1 ZINC000987470253 656140644 /nfs/dbraw/zinc/14/06/44/656140644.db2.gz DTKUWLXCLZLSPI-BDAKNGLRSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1C(=O)CCC1=O ZINC000987497784 656140700 /nfs/dbraw/zinc/14/07/00/656140700.db2.gz RLAGEGGPFDTVFN-RKDXNWHRSA-N 0 3 296.327 -1.800 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC000987471922 656140829 /nfs/dbraw/zinc/14/08/29/656140829.db2.gz CDKICINSDDXAGS-IUCAKERBSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cn(C)c(=O)n1C ZINC000987582596 656141140 /nfs/dbraw/zinc/14/11/40/656141140.db2.gz ZBDYXIJAYKRKPU-BDAKNGLRSA-N 0 3 295.343 -1.598 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCc1cn(C)nn1 ZINC000987615149 656141228 /nfs/dbraw/zinc/14/12/28/656141228.db2.gz WMGBKXJJEOQOJD-ONGXEEELSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCc1cn(C)nn1 ZINC000987615148 656141345 /nfs/dbraw/zinc/14/13/45/656141345.db2.gz WMGBKXJJEOQOJD-MWLCHTKSSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cc[n+]([O-])cc1 ZINC000987923982 656141727 /nfs/dbraw/zinc/14/17/27/656141727.db2.gz AUYHIUVNSSRLGH-ONGXEEELSA-N 0 3 278.312 -1.002 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1cnnn1 ZINC000987999290 656141918 /nfs/dbraw/zinc/14/19/18/656141918.db2.gz DSCJJBKNDDRGGH-HTQZYQBOSA-N 0 3 267.293 -2.263 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cc[n+]([O-])cc1 ZINC000987923973 656141977 /nfs/dbraw/zinc/14/19/77/656141977.db2.gz AUYHIUVNSSRLGH-GXSJLCMTSA-N 0 3 278.312 -1.002 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CCCC1=O ZINC000987982159 656142008 /nfs/dbraw/zinc/14/20/08/656142008.db2.gz IRKZUSDKPICOPP-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCn1cncn1 ZINC000988149957 656142160 /nfs/dbraw/zinc/14/21/60/656142160.db2.gz YGKFUUHVPZHERV-ZJUUUORDSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCn1cncn1 ZINC000988149953 656142357 /nfs/dbraw/zinc/14/23/57/656142357.db2.gz YGKFUUHVPZHERV-UWVGGRQHSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1nccnc1N ZINC000988394478 656143120 /nfs/dbraw/zinc/14/31/20/656143120.db2.gz LTPKNZIBZAUWMW-YUMQZZPRSA-N 0 3 278.316 -1.263 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1nccnc1N ZINC000988394470 656143360 /nfs/dbraw/zinc/14/33/60/656143360.db2.gz LTPKNZIBZAUWMW-HTQZYQBOSA-N 0 3 278.316 -1.263 20 0 CAADHN C[C@H]1C[C@H](NCC(=O)N2CCC2)CN1C(=O)CC(N)=O ZINC000988435469 656143571 /nfs/dbraw/zinc/14/35/71/656143571.db2.gz SOUUTZMQTKNYAX-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CCOCC1 ZINC000988652690 656144046 /nfs/dbraw/zinc/14/40/46/656144046.db2.gz IUNQSUIRSIVYKY-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CN=NC1=O ZINC000988669911 656144701 /nfs/dbraw/zinc/14/47/01/656144701.db2.gz ZIPOVUCRPBBKIY-JGVFFNPUSA-N 0 3 282.304 -1.952 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cnn(C)c1N ZINC000988675928 656144911 /nfs/dbraw/zinc/14/49/11/656144911.db2.gz CGSNAFIJWHFJCZ-SFYZADRCSA-N 0 3 280.332 -1.320 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cc(=O)n(C)o1 ZINC000988717361 656145361 /nfs/dbraw/zinc/14/53/61/656145361.db2.gz FJJTXZYKTOAYOY-JGVFFNPUSA-N 0 3 282.300 -1.344 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@H](NCC(N)=O)C[C@H]2C)o1 ZINC000988778284 656145682 /nfs/dbraw/zinc/14/56/82/656145682.db2.gz PIZFNEKATNSZRL-VXNVDRBHSA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cnnn1C ZINC000988765066 656145818 /nfs/dbraw/zinc/14/58/18/656145818.db2.gz NEANNTDJERFHRM-SFYZADRCSA-N 0 3 266.305 -1.507 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@H](NCC(N)=O)C[C@@H]2C)o1 ZINC000988778283 656145851 /nfs/dbraw/zinc/14/58/51/656145851.db2.gz PIZFNEKATNSZRL-IONNQARKSA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cnnn1C ZINC000988765068 656145890 /nfs/dbraw/zinc/14/58/90/656145890.db2.gz NEANNTDJERFHRM-YUMQZZPRSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cn(C)nn1 ZINC000988787435 656146536 /nfs/dbraw/zinc/14/65/36/656146536.db2.gz VCVAWVOQCGMDEZ-HTQZYQBOSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ncn(C)n1 ZINC000988786752 656146551 /nfs/dbraw/zinc/14/65/51/656146551.db2.gz SCGSMRXMSTUILN-HTQZYQBOSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1ncn(C)n1 ZINC000988786758 656146555 /nfs/dbraw/zinc/14/65/55/656146555.db2.gz SCGSMRXMSTUILN-YUMQZZPRSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1nccn1 ZINC000988890389 656146641 /nfs/dbraw/zinc/14/66/41/656146641.db2.gz BMCVVLMIIGTSBW-IUCAKERBSA-N 0 3 266.305 -1.658 20 0 CAADHN CCn1ncc(C(=O)N2C[C@@H](NCC(N)=O)C[C@H]2C)n1 ZINC000988779525 656146729 /nfs/dbraw/zinc/14/67/29/656146729.db2.gz DOOSBAGWRWHPGJ-BDAKNGLRSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@@H]1C[C@@H](NCCF)CN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000988850856 656146759 /nfs/dbraw/zinc/14/67/59/656146759.db2.gz AMFBEYFASJLZGZ-RKDXNWHRSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1nccn1 ZINC000988890391 656146823 /nfs/dbraw/zinc/14/68/23/656146823.db2.gz BMCVVLMIIGTSBW-RKDXNWHRSA-N 0 3 266.305 -1.658 20 0 CAADHN CCn1nncc1C(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC000988783819 656146850 /nfs/dbraw/zinc/14/68/50/656146850.db2.gz RYTFTFVMZGVPLU-RKDXNWHRSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1ncn(C)c1=O ZINC000989060705 656146985 /nfs/dbraw/zinc/14/69/85/656146985.db2.gz BNUBVYOPAVWVOR-RKDXNWHRSA-N 0 3 296.331 -2.354 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CCCNC1=O ZINC000989100203 656147251 /nfs/dbraw/zinc/14/72/51/656147251.db2.gz PQQRMECGJRCBBQ-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CCCNC1=O ZINC000989100206 656147329 /nfs/dbraw/zinc/14/73/29/656147329.db2.gz PQQRMECGJRCBBQ-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CCOCC1=O ZINC000988956450 656147352 /nfs/dbraw/zinc/14/73/52/656147352.db2.gz QLZSMVAZKWZMON-VHSXEESVSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cc(=O)n(C)cn1 ZINC000988984484 656147363 /nfs/dbraw/zinc/14/73/63/656147363.db2.gz GVMOAZDVPAIGIH-DTWKUNHWSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cn[nH]n1 ZINC000989094483 656147601 /nfs/dbraw/zinc/14/76/01/656147601.db2.gz OMVGVBWHOPIGNR-NKWVEPMBSA-N 0 3 252.278 -1.517 20 0 CAADHN CCn1cc(CC(=O)N2C[C@H](NCC(N)=O)C[C@H]2C)nn1 ZINC000989221396 656147691 /nfs/dbraw/zinc/14/76/91/656147691.db2.gz JZMXFRRLPXTUEX-NXEZZACHSA-N 0 3 294.359 -1.095 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cn(C)c(=O)cn1 ZINC000989222392 656147758 /nfs/dbraw/zinc/14/77/58/656147758.db2.gz ZJHWITIQJUSJQT-BDAKNGLRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cn[nH]n1 ZINC000989094486 656147931 /nfs/dbraw/zinc/14/79/31/656147931.db2.gz OMVGVBWHOPIGNR-RNFRBKRXSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000989311164 656148104 /nfs/dbraw/zinc/14/81/04/656148104.db2.gz CWEYLBXLNZTVQJ-ULHKAFAUSA-N 0 3 267.329 -1.057 20 0 CAADHN Cc1n[nH]nc1C(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC000989275724 656148119 /nfs/dbraw/zinc/14/81/19/656148119.db2.gz QCJXQUCXYDNWDT-HTRCEHHLSA-N 0 3 266.305 -1.209 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1nnn(C)n1 ZINC000989305497 656148399 /nfs/dbraw/zinc/14/83/99/656148399.db2.gz DIGKEWGXNLQJKP-NKWVEPMBSA-N 0 3 267.293 -2.112 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000989311153 656148483 /nfs/dbraw/zinc/14/84/83/656148483.db2.gz CWEYLBXLNZTVQJ-KUNJHIDRSA-N 0 3 267.329 -1.057 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000989311161 656148491 /nfs/dbraw/zinc/14/84/91/656148491.db2.gz CWEYLBXLNZTVQJ-OMHSBUABSA-N 0 3 267.329 -1.057 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1c[nH]c(=O)cn1 ZINC000989374365 656148579 /nfs/dbraw/zinc/14/85/79/656148579.db2.gz MKLBSQLNXOUMHD-SFYZADRCSA-N 0 3 279.300 -1.552 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC000989403244 656149438 /nfs/dbraw/zinc/14/94/38/656149438.db2.gz TZHPMYABOSQOFF-YUMQZZPRSA-N 0 3 281.316 -1.196 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(C[C@H]2COCCN2C)C1=O ZINC000925315734 656149655 /nfs/dbraw/zinc/14/96/55/656149655.db2.gz YXNYPFJJFVOIDQ-VHSXEESVSA-N 0 3 270.333 -1.201 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(C[C@H]2COCCN2C)C1=O ZINC000925315729 656149683 /nfs/dbraw/zinc/14/96/83/656149683.db2.gz YXNYPFJJFVOIDQ-UWVGGRQHSA-N 0 3 270.333 -1.201 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cn(C)c(=O)[nH]1 ZINC000989403242 656149705 /nfs/dbraw/zinc/14/97/05/656149705.db2.gz TZHPMYABOSQOFF-JGVFFNPUSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)C1CC(=O)NC(=O)C1 ZINC000989549128 656149947 /nfs/dbraw/zinc/14/99/47/656149947.db2.gz GBJHHDATIYPCOQ-APPZFPTMSA-N 0 3 296.327 -1.897 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC000989457933 656150012 /nfs/dbraw/zinc/15/00/12/656150012.db2.gz JYDIJCOLLDETEQ-JGVFFNPUSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cnn(C)n1 ZINC000989549306 656150176 /nfs/dbraw/zinc/15/01/76/656150176.db2.gz IIPKDXJKRLJULW-JGVFFNPUSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)C1CC(=O)NC(=O)C1 ZINC000989549130 656150190 /nfs/dbraw/zinc/15/01/90/656150190.db2.gz GBJHHDATIYPCOQ-IONNQARKSA-N 0 3 296.327 -1.897 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC000989457935 656150256 /nfs/dbraw/zinc/15/02/56/656150256.db2.gz JYDIJCOLLDETEQ-SFYZADRCSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCc1cnn(C)n1 ZINC000989453355 656150262 /nfs/dbraw/zinc/15/02/62/656150262.db2.gz GUFPRKDUICVPRP-MWLCHTKSSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCc1cnn(C)n1 ZINC000989453356 656150369 /nfs/dbraw/zinc/15/03/69/656150369.db2.gz GUFPRKDUICVPRP-ONGXEEELSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cnn(C)n1 ZINC000989549308 656150387 /nfs/dbraw/zinc/15/03/87/656150387.db2.gz IIPKDXJKRLJULW-YUMQZZPRSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cnon1 ZINC000989580092 656150738 /nfs/dbraw/zinc/15/07/38/656150738.db2.gz LDCCUOJCSQFQIU-RQJHMYQMSA-N 0 3 253.262 -1.253 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1C)N(C)C ZINC000989589373 656150781 /nfs/dbraw/zinc/15/07/81/656150781.db2.gz CQJLCOPWWSSVDD-UTLUCORTSA-N 0 3 284.360 -1.083 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cnon1 ZINC000989580091 656150829 /nfs/dbraw/zinc/15/08/29/656150829.db2.gz LDCCUOJCSQFQIU-RNFRBKRXSA-N 0 3 253.262 -1.253 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CN1CC[C@H](C)C1 ZINC000989597152 656151147 /nfs/dbraw/zinc/15/11/47/656151147.db2.gz UTCNFPQXNZKKMX-AXFHLTTASA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cc(C(N)=O)c[nH]1 ZINC000989616635 656151535 /nfs/dbraw/zinc/15/15/35/656151535.db2.gz YNYATFGJOROBHU-APPZFPTMSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)CN2C(=O)CNC2=O)CC1 ZINC000989623928 656151570 /nfs/dbraw/zinc/15/15/70/656151570.db2.gz NGGPCSOYPYUYKT-SNVBAGLBSA-N 0 3 298.343 -1.547 20 0 CAADHN CCn1cc(C(=O)N2C[C@H](NCC(N)=O)C[C@@H]2C)nn1 ZINC000989623114 656151590 /nfs/dbraw/zinc/15/15/90/656151590.db2.gz RVJVRDBUXJAKBQ-DTWKUNHWSA-N 0 3 280.332 -1.024 20 0 CAADHN Cc1nonc1CC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC000989624665 656151647 /nfs/dbraw/zinc/15/16/47/656151647.db2.gz JBZVYMKOGMVKMB-APPZFPTMSA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1C(=O)CNC1=O ZINC000989765678 656152191 /nfs/dbraw/zinc/15/21/91/656152191.db2.gz JIIXRVQNBJAHDX-HTQZYQBOSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1ccc(=O)n(C)n1 ZINC000989759384 656152218 /nfs/dbraw/zinc/15/22/18/656152218.db2.gz LJSSSBODMGHCQP-BDAKNGLRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1cncn1 ZINC000989764243 656152424 /nfs/dbraw/zinc/15/24/24/656152424.db2.gz ZDMRPYHESYQXKP-IUCAKERBSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1C(=O)CNC1=O ZINC000989765679 656152481 /nfs/dbraw/zinc/15/24/81/656152481.db2.gz JIIXRVQNBJAHDX-JGVFFNPUSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC000989806890 656152620 /nfs/dbraw/zinc/15/26/20/656152620.db2.gz OXBWCAJNHLZOFU-MNOVXSKESA-N 0 3 297.355 -1.046 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N1CCCN(CCCO)CC1 ZINC000989816097 656152655 /nfs/dbraw/zinc/15/26/55/656152655.db2.gz UWZDOQLKXPAUIY-LLVKDONJSA-N 0 3 297.355 -1.044 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1C(=O)CCC1=O ZINC000989773198 656152733 /nfs/dbraw/zinc/15/27/33/656152733.db2.gz PQFPWARBVSOXOZ-RKDXNWHRSA-N 0 3 296.327 -1.800 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1ccccc1=O ZINC000989776295 656152751 /nfs/dbraw/zinc/15/27/51/656152751.db2.gz ODGUFMQNMCANQY-WDEREUQCSA-N 0 3 292.339 -1.087 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCc1cn(C)nn1 ZINC000989861183 656152758 /nfs/dbraw/zinc/15/27/58/656152758.db2.gz UYTBJYULRZDHTO-ONGXEEELSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1ccccc1=O ZINC000989776292 656152795 /nfs/dbraw/zinc/15/27/95/656152795.db2.gz ODGUFMQNMCANQY-GHMZBOCLSA-N 0 3 292.339 -1.087 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cn(C)c(=O)n1C ZINC000989835951 656152840 /nfs/dbraw/zinc/15/28/40/656152840.db2.gz YJMVCMOVCDYQEA-IUCAKERBSA-N 0 3 295.343 -1.598 20 0 CAADHN C[C@H]1C[C@H](NCCF)CN1C(=O)c1cn(CC(N)=O)nn1 ZINC000989830894 656152985 /nfs/dbraw/zinc/15/29/85/656152985.db2.gz CSSLRSYNRVTPIP-IUCAKERBSA-N 0 3 298.322 -1.075 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N1CCCN(CCCO)CC1 ZINC000989816098 656153021 /nfs/dbraw/zinc/15/30/21/656153021.db2.gz UWZDOQLKXPAUIY-NSHDSACASA-N 0 3 297.355 -1.044 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCc1cn(C)nn1 ZINC000989861182 656153082 /nfs/dbraw/zinc/15/30/82/656153082.db2.gz UYTBJYULRZDHTO-MWLCHTKSSA-N 0 3 294.359 -1.188 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CCN(CCCO)C1 ZINC001014448064 656153302 /nfs/dbraw/zinc/15/33/02/656153302.db2.gz SVFQKZDPZRABTG-SECBINFHSA-N 0 3 254.294 -1.754 20 0 CAADHN O=C(Cn1ncnn1)N[C@H]1CCN(CCCO)C1 ZINC001014448065 656153477 /nfs/dbraw/zinc/15/34/77/656153477.db2.gz SVFQKZDPZRABTG-VIFPVBQESA-N 0 3 254.294 -1.754 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)Cn2cnnn2)C1)N(C)C ZINC000990180969 656155809 /nfs/dbraw/zinc/15/58/09/656155809.db2.gz KHWWMGVKXHCDOM-SNVBAGLBSA-N 0 3 295.347 -1.660 20 0 CAADHN CCNC(=O)CN(C)S(=O)(=O)N1CCNCC1 ZINC000040860819 656160687 /nfs/dbraw/zinc/16/06/87/656160687.db2.gz ADXJXBDPPNRECZ-UHFFFAOYSA-N 0 3 264.351 -1.796 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)Cn2cnnn2)C1)N(C)C ZINC000990180968 656156053 /nfs/dbraw/zinc/15/60/53/656156053.db2.gz KHWWMGVKXHCDOM-JTQLQIEISA-N 0 3 295.347 -1.660 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC000990277122 656157792 /nfs/dbraw/zinc/15/77/92/656157792.db2.gz TZSGMDRMYCWYFV-RYUDHWBXSA-N 0 3 297.355 -1.177 20 0 CAADHN CCN(CC(=O)N(C)C)S(=O)(=O)N1CCNCC1 ZINC000040861918 656160440 /nfs/dbraw/zinc/16/04/40/656160440.db2.gz UGAOBTATIROBLS-UHFFFAOYSA-N 0 3 278.378 -1.454 20 0 CAADHN CC(C)C(=O)NCCNS(=O)(=O)N1CCNCC1 ZINC000040860326 656160658 /nfs/dbraw/zinc/16/06/58/656160658.db2.gz QNLDKBATIHEOBA-UHFFFAOYSA-N 0 3 278.378 -1.502 20 0 CAADHN CC(C)NC(=O)CN(C)S(=O)(=O)N1CCNCC1 ZINC000040861800 656160681 /nfs/dbraw/zinc/16/06/81/656160681.db2.gz KNEVNILPWKCELJ-UHFFFAOYSA-N 0 3 278.378 -1.407 20 0 CAADHN O=C1NCCCC[C@H]1NS(=O)(=O)N1CCNCC1 ZINC000040860848 656160789 /nfs/dbraw/zinc/16/07/89/656160789.db2.gz DQUAZCYNJILGRN-SECBINFHSA-N 0 3 276.362 -1.605 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000990485584 656161282 /nfs/dbraw/zinc/16/12/82/656161282.db2.gz HEENRMFOONTWEA-MNOVXSKESA-N 0 3 294.355 -1.314 20 0 CAADHN C[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2nnc[n-]2)C1 ZINC000990513537 656161832 /nfs/dbraw/zinc/16/18/32/656161832.db2.gz FAHDTISFJHFBJC-JTQLQIEISA-N 0 3 292.343 -1.232 20 0 CAADHN C[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cc2nnc[n-]2)C1 ZINC000990513537 656161833 /nfs/dbraw/zinc/16/18/33/656161833.db2.gz FAHDTISFJHFBJC-JTQLQIEISA-N 0 3 292.343 -1.232 20 0 CAADHN C[N@@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cc2nnc[n-]2)C1 ZINC000990513541 656162017 /nfs/dbraw/zinc/16/20/17/656162017.db2.gz FAHDTISFJHFBJC-SNVBAGLBSA-N 0 3 292.343 -1.232 20 0 CAADHN C[N@H+]1CCC[C@@H]1C(=O)NC1CN(C(=O)Cc2nnc[n-]2)C1 ZINC000990513541 656162020 /nfs/dbraw/zinc/16/20/20/656162020.db2.gz FAHDTISFJHFBJC-SNVBAGLBSA-N 0 3 292.343 -1.232 20 0 CAADHN CCOC(=O)CCNS(=O)(=O)N1CCNCC1 ZINC000041681695 656163631 /nfs/dbraw/zinc/16/36/31/656163631.db2.gz MFSMKJYERBXWEZ-UHFFFAOYSA-N 0 3 265.335 -1.321 20 0 CAADHN COCCNC(=O)CNC(=O)c1ccnn1CCN(C)C ZINC000900033023 656164489 /nfs/dbraw/zinc/16/44/89/656164489.db2.gz SGJOTRYIZBENEB-UHFFFAOYSA-N 0 3 297.359 -1.063 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CCN(C2CC2)C1 ZINC000900372410 656166684 /nfs/dbraw/zinc/16/66/84/656166684.db2.gz SUCNVVDJBBFXEQ-SNVBAGLBSA-N 0 3 266.345 -1.229 20 0 CAADHN COCCN1CCC(NC(=O)CN2CCNC(=O)C2)CC1 ZINC000900383042 656167107 /nfs/dbraw/zinc/16/71/07/656167107.db2.gz MNFSJRVVSRQKEW-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1=O ZINC000900439404 656167183 /nfs/dbraw/zinc/16/71/83/656167183.db2.gz HIVIZHLURCNMQA-SDDRHHMPSA-N 0 3 297.355 -1.177 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1=O ZINC000900439402 656167449 /nfs/dbraw/zinc/16/74/49/656167449.db2.gz HIVIZHLURCNMQA-QJPTWQEYSA-N 0 3 297.355 -1.177 20 0 CAADHN COCCN(C)CCNC(=O)CN1CCNC(=O)C1 ZINC000900517148 656168554 /nfs/dbraw/zinc/16/85/54/656168554.db2.gz HPYOOOZTUHEVHD-UHFFFAOYSA-N 0 3 272.349 -1.887 20 0 CAADHN COCCN(CCN(C)C)C(=O)c1nnn(C)n1 ZINC000900586658 656168894 /nfs/dbraw/zinc/16/88/94/656168894.db2.gz HROKJYDFUHHFOL-UHFFFAOYSA-N 0 3 256.310 -1.140 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000900625204 656169395 /nfs/dbraw/zinc/16/93/95/656169395.db2.gz VIPPUAXVRWPVLB-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000900625208 656169728 /nfs/dbraw/zinc/16/97/28/656169728.db2.gz VIPPUAXVRWPVLB-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@@H]2C[C@@H]2C(N)=O)C1 ZINC000900623275 656169814 /nfs/dbraw/zinc/16/98/14/656169814.db2.gz KJJWQHPAWLOJHI-LPEHRKFASA-N 0 3 255.318 -1.055 20 0 CAADHN CN(C)CCn1nccc1C(=O)NCCn1ncnn1 ZINC000901052560 656175598 /nfs/dbraw/zinc/17/55/98/656175598.db2.gz OZFJRHMYBQDUES-UHFFFAOYSA-N 0 3 278.320 -1.139 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001030022245 656175749 /nfs/dbraw/zinc/17/57/49/656175749.db2.gz IZRHOCYHYNPMLR-DCAQKATOSA-N 0 3 294.355 -1.266 20 0 CAADHN C[C@H](NC1CC1)C(=O)[N-]S(=O)(=O)N1CC[NH2+]CC1 ZINC000901095449 656177036 /nfs/dbraw/zinc/17/70/36/656177036.db2.gz YIGQFNCASXTBIT-QMMMGPOBSA-N 0 3 276.362 -1.607 20 0 CAADHN O=S(=O)(NCC[C@@H](O)C1CC1)N1CCNCC1 ZINC000903576342 656185230 /nfs/dbraw/zinc/18/52/30/656185230.db2.gz KQVULMAWNSANFH-SNVBAGLBSA-N 0 3 263.363 -1.113 20 0 CAADHN CC[C@@H]1C(=O)NCCCN1S(=O)(=O)C1CNC1 ZINC000903605157 656185363 /nfs/dbraw/zinc/18/53/63/656185363.db2.gz ZSKONBAWGGEKMN-SECBINFHSA-N 0 3 261.347 -1.112 20 0 CAADHN O=S(=O)(C1CNC1)N1CCO[C@@H]2COCC[C@@H]21 ZINC000903555410 656185419 /nfs/dbraw/zinc/18/54/19/656185419.db2.gz MBBDJYJMROIKGI-VHSXEESVSA-N 0 3 262.331 -1.222 20 0 CAADHN CC[C@H]1C(=O)NCCCN1S(=O)(=O)C1CNC1 ZINC000903605158 656185547 /nfs/dbraw/zinc/18/55/47/656185547.db2.gz ZSKONBAWGGEKMN-VIFPVBQESA-N 0 3 261.347 -1.112 20 0 CAADHN COC[C@@H]1CNCCN1S(=O)(=O)N1CCNCC1 ZINC000903600781 656185662 /nfs/dbraw/zinc/18/56/62/656185662.db2.gz GSPBMJPFLMDOHC-JTQLQIEISA-N 0 3 278.378 -1.943 20 0 CAADHN CC[C@H]1C(=O)NCCCN1S(=O)(=O)N1CCNCC1 ZINC000903605038 656185752 /nfs/dbraw/zinc/18/57/52/656185752.db2.gz UMAHGWLLALJGJQ-JTQLQIEISA-N 0 3 290.389 -1.263 20 0 CAADHN COC[C@@H]1CNCCN1S(=O)(=O)C[C@H]1CNCCO1 ZINC000903597868 656186392 /nfs/dbraw/zinc/18/63/92/656186392.db2.gz FUCZAFYERHHQGR-WDEREUQCSA-N 0 3 293.389 -1.775 20 0 CAADHN COC[C@@H]1CNCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000905017721 656189427 /nfs/dbraw/zinc/18/94/27/656189427.db2.gz VJZIIEOWCJUOGR-NSHDSACASA-N 0 3 286.376 -1.547 20 0 CAADHN CCS(=O)(=O)NCCNC[C@@H](O)C1(O)CCC1 ZINC000905036180 656189534 /nfs/dbraw/zinc/18/95/34/656189534.db2.gz QGLRIDMEMAUJJN-SECBINFHSA-N 0 3 266.363 -1.209 20 0 CAADHN CN1C[C@@H](NC[C@H](O)C2(O)CCOCC2)CC1=O ZINC000905086583 656189738 /nfs/dbraw/zinc/18/97/38/656189738.db2.gz DTWHMCJUJMITHL-UWVGGRQHSA-N 0 3 258.318 -1.291 20 0 CAADHN CS(=O)(=O)NCCNC[C@H](O)C1(O)CCCC1 ZINC000905022042 656189909 /nfs/dbraw/zinc/18/99/09/656189909.db2.gz CZINFGPIIOGRQQ-VIFPVBQESA-N 0 3 266.363 -1.209 20 0 CAADHN CCNS(=O)(=O)CCNC[C@H](O)C1(O)CCC1 ZINC000905107234 656189934 /nfs/dbraw/zinc/18/99/34/656189934.db2.gz XGHHYAIBPJGRPT-VIFPVBQESA-N 0 3 266.363 -1.209 20 0 CAADHN CNS(=O)(=O)CCNC[C@@H](O)C1(O)CCCC1 ZINC000905227166 656190064 /nfs/dbraw/zinc/19/00/64/656190064.db2.gz CEUCEJCLRGTLED-SECBINFHSA-N 0 3 266.363 -1.209 20 0 CAADHN O=C(CNC[C@H](O)C1(O)CCC1)N1CCOCC1 ZINC000905199574 656190157 /nfs/dbraw/zinc/19/01/57/656190157.db2.gz HIMXLTWLWRQTOV-JTQLQIEISA-N 0 3 258.318 -1.289 20 0 CAADHN CNS(=O)(=O)CCNC[C@H](O)C1(O)CCCC1 ZINC000905227169 656190241 /nfs/dbraw/zinc/19/02/41/656190241.db2.gz CEUCEJCLRGTLED-VIFPVBQESA-N 0 3 266.363 -1.209 20 0 CAADHN COC(=O)N1CC(NC[C@H](O)C[C@]2(O)CCOC2)C1 ZINC000905178218 656190395 /nfs/dbraw/zinc/19/03/95/656190395.db2.gz SXCDCYHSWUPKEQ-ZYHUDNBSSA-N 0 3 274.317 -1.071 20 0 CAADHN COC(=O)N1CC(NC[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000905178215 656190425 /nfs/dbraw/zinc/19/04/25/656190425.db2.gz SXCDCYHSWUPKEQ-CMPLNLGQSA-N 0 3 274.317 -1.071 20 0 CAADHN CNS(=O)(=O)CCNC[C@H](O)C1(O)CCC1 ZINC000905230319 656190499 /nfs/dbraw/zinc/19/04/99/656190499.db2.gz PDLCUMIZOMRMRL-QMMMGPOBSA-N 0 3 252.336 -1.599 20 0 CAADHN CN1C(=O)CC[C@H](NC[C@H](O)C2(O)CCC2)C1=O ZINC000905291734 656191144 /nfs/dbraw/zinc/19/11/44/656191144.db2.gz RSFDAQDJCLHLQC-IUCAKERBSA-N 0 3 256.302 -1.001 20 0 CAADHN O=C1[C@H](NC[C@H](O)C2(O)CCC2)CCCN1CCO ZINC000905367787 656191930 /nfs/dbraw/zinc/19/19/30/656191930.db2.gz VMUUTDULHXYLJA-MNOVXSKESA-N 0 3 272.345 -1.165 20 0 CAADHN O=C(CO)NCCC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000906460264 656192843 /nfs/dbraw/zinc/19/28/43/656192843.db2.gz SFKJASDNUNWMSM-WDEREUQCSA-N 0 3 285.344 -1.536 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCNC(=O)CO)C1 ZINC000906620000 656193811 /nfs/dbraw/zinc/19/38/11/656193811.db2.gz VVOSOZUPAXCYSH-JTQLQIEISA-N 0 3 273.333 -1.678 20 0 CAADHN COCCN(CCN(C)C)C(=O)CCNC(=O)CO ZINC000906579252 656194028 /nfs/dbraw/zinc/19/40/28/656194028.db2.gz RTAIRDIWRVXGBU-UHFFFAOYSA-N 0 3 275.349 -1.478 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC000906583298 656194096 /nfs/dbraw/zinc/19/40/96/656194096.db2.gz IAUBRUYPPMZECK-CABZTGNLSA-N 0 3 257.334 -1.059 20 0 CAADHN CS[C@@H]1CN(C(=O)CCNC(=O)CO)C[C@@H]1N(C)C ZINC000907147018 656196102 /nfs/dbraw/zinc/19/61/02/656196102.db2.gz RGOISPMYRLFXCV-VHSXEESVSA-N 0 3 289.401 -1.011 20 0 CAADHN CS[C@@H]1CN(C(=O)CCNC(=O)CO)C[C@H]1N(C)C ZINC000907147014 656196292 /nfs/dbraw/zinc/19/62/92/656196292.db2.gz RGOISPMYRLFXCV-NXEZZACHSA-N 0 3 289.401 -1.011 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1OCCN(C)C1=O ZINC000907441207 656197889 /nfs/dbraw/zinc/19/78/89/656197889.db2.gz VYQQVZPWPXFZAT-JTQLQIEISA-N 0 3 273.333 -1.726 20 0 CAADHN CN(C)CCn1nccc1C(=O)NC[C@](C)(O)CO ZINC000907920288 656203677 /nfs/dbraw/zinc/20/36/77/656203677.db2.gz WDYKJGSJAYZOHC-LBPRGKRZSA-N 0 3 270.333 -1.082 20 0 CAADHN CN(C)CCn1nccc1C(=O)N[C@@H]1CC(=O)N(C)C1=O ZINC000908053616 656206439 /nfs/dbraw/zinc/20/64/39/656206439.db2.gz QTQDZWLMJYRSBK-SECBINFHSA-N 0 3 293.327 -1.068 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@H](CO)CN2CCCCC2)C1=O ZINC000908118648 656206847 /nfs/dbraw/zinc/20/68/47/656206847.db2.gz NXRIJHCWDLQDKF-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@H](CO)CN1CCCCC1 ZINC000908120888 656207862 /nfs/dbraw/zinc/20/78/62/656207862.db2.gz XTIQUZFYNVVDRH-LBPRGKRZSA-N 0 3 298.387 -1.619 20 0 CAADHN Cn1nncc1C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000991105252 656208125 /nfs/dbraw/zinc/20/81/25/656208125.db2.gz XVEVAXXZBMQHGT-JTQLQIEISA-N 0 3 292.343 -1.150 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)C1=O ZINC000908118650 656208140 /nfs/dbraw/zinc/20/81/40/656208140.db2.gz NXRIJHCWDLQDKF-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2COC(=O)N2)C1 ZINC000991110832 656209080 /nfs/dbraw/zinc/20/90/80/656209080.db2.gz MTEAFQPRLPVTSE-ZJUUUORDSA-N 0 3 296.327 -1.484 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1)N(C)C ZINC000991116991 656209366 /nfs/dbraw/zinc/20/93/66/656209366.db2.gz FTDNBUOHIJQWFM-UWVGGRQHSA-N 0 3 298.343 -1.238 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CC1(O)CCOCC1 ZINC000908201846 656210354 /nfs/dbraw/zinc/21/03/54/656210354.db2.gz SWHULMXPDNNGEL-SNVBAGLBSA-N 0 3 260.334 -1.043 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1CCNC(=O)C1 ZINC000908201822 656210419 /nfs/dbraw/zinc/21/04/19/656210419.db2.gz SGMKAGJRVPPZGK-VIFPVBQESA-N 0 3 258.322 -2.543 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1OCCN(C)C1=O ZINC000908201847 656210643 /nfs/dbraw/zinc/21/06/43/656210643.db2.gz SYWPWMJGORZVFP-BDAKNGLRSA-N 0 3 259.306 -2.118 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@H]1COC(=O)N1 ZINC000908201239 656210735 /nfs/dbraw/zinc/21/07/35/656210735.db2.gz CNSGWWPHRQHZLW-DTWKUNHWSA-N 0 3 257.290 -1.332 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1OCCN(C)C1=O ZINC000908201850 656210881 /nfs/dbraw/zinc/21/08/81/656210881.db2.gz SYWPWMJGORZVFP-RKDXNWHRSA-N 0 3 259.306 -2.118 20 0 CAADHN O=C(C[C@H]1CC(=O)N1)N[C@@H](CO)CN1CCCC1 ZINC000908206342 656210999 /nfs/dbraw/zinc/21/09/99/656210999.db2.gz ZQBQATHVXVEUSE-NXEZZACHSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C([C@H]1COC(=O)N1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000908203475 656211023 /nfs/dbraw/zinc/21/10/23/656211023.db2.gz ROQNLKYPFQBDLZ-IVZWLZJFSA-N 0 3 269.301 -1.238 20 0 CAADHN Cn1cc(C(=O)N[C@@H](CO)CN2CCCC2)n(C)c1=O ZINC000908204481 656211045 /nfs/dbraw/zinc/21/10/45/656211045.db2.gz IKTFIAKHARSGAB-SNVBAGLBSA-N 0 3 282.344 -1.090 20 0 CAADHN CCOC(=O)C[C@H](O)C(=O)N[C@H](CO)CN1CCCC1 ZINC000908204225 656211216 /nfs/dbraw/zinc/21/12/16/656211216.db2.gz PIPTWVQYVLVYMR-QWRGUYRKSA-N 0 3 288.344 -1.127 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908203401 656211237 /nfs/dbraw/zinc/21/12/37/656211237.db2.gz CKLXHHSTDIYJSU-BBBLOLIVSA-N 0 3 255.318 -1.319 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@@]1(O)CCOC1 ZINC000908203264 656211315 /nfs/dbraw/zinc/21/13/15/656211315.db2.gz LXNNUTSJRYDMFF-CMPLNLGQSA-N 0 3 258.318 -1.289 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000908203058 656211333 /nfs/dbraw/zinc/21/13/33/656211333.db2.gz YLDHBMROYZGSPH-AEJSXWLSSA-N 0 3 257.334 -1.073 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@]1(O)CCOC1 ZINC000908203266 656211352 /nfs/dbraw/zinc/21/13/52/656211352.db2.gz LXNNUTSJRYDMFF-PWSUYJOCSA-N 0 3 258.318 -1.289 20 0 CAADHN CC(C)(O)[C@H](O)C(=O)N[C@H](CO)CN1CCCC1 ZINC000908202247 656211358 /nfs/dbraw/zinc/21/13/58/656211358.db2.gz AVIZMUHOSHXZRO-VHSXEESVSA-N 0 3 260.334 -1.309 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)/C=C/Cn1cncn1 ZINC000908203101 656211384 /nfs/dbraw/zinc/21/13/84/656211384.db2.gz ZGKHRLBJNIIWMH-FSIBCCDJSA-N 0 3 253.306 -1.127 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@H](CO)CN2CCCC2)C1=O ZINC000908206362 656211450 /nfs/dbraw/zinc/21/14/50/656211450.db2.gz BLFLKOWUCUBUEW-QWRGUYRKSA-N 0 3 285.344 -1.584 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000908203059 656211512 /nfs/dbraw/zinc/21/15/12/656211512.db2.gz YLDHBMROYZGSPH-IVZWLZJFSA-N 0 3 257.334 -1.073 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000908203986 656211538 /nfs/dbraw/zinc/21/15/38/656211538.db2.gz STKBTQQBSLDJDD-ZDCRXTMVSA-N 0 3 267.329 -1.225 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](CO)CN1CCCC1 ZINC000908203400 656211598 /nfs/dbraw/zinc/21/15/98/656211598.db2.gz CKLXHHSTDIYJSU-AEJSXWLSSA-N 0 3 255.318 -1.319 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1CN(S(C)(=O)=O)C1 ZINC000908202604 656211682 /nfs/dbraw/zinc/21/16/82/656211682.db2.gz WFHZXHWQBKFVCJ-VIFPVBQESA-N 0 3 279.362 -2.084 20 0 CAADHN CN(C)CCn1nccc1NC(=O)CN1CCNC(=O)C1 ZINC000908442198 656214696 /nfs/dbraw/zinc/21/46/96/656214696.db2.gz JGCMFNZWTIRTNI-UHFFFAOYSA-N 0 3 294.359 -1.185 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@H]1CCCN(CCCO)C1 ZINC000908540493 656214964 /nfs/dbraw/zinc/21/49/64/656214964.db2.gz LCYOISPSKYPTEE-LBPRGKRZSA-N 0 3 298.387 -1.619 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CCCN(CCCO)C1 ZINC000908540490 656215154 /nfs/dbraw/zinc/21/51/54/656215154.db2.gz LCYOISPSKYPTEE-GFCCVEGCSA-N 0 3 298.387 -1.619 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@@H]2CCCCN2CCO)C1=O ZINC000908541740 656215321 /nfs/dbraw/zinc/21/53/21/656215321.db2.gz VSUXSPLWXUUYQL-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@H]2CCCCN2CCO)C1=O ZINC000908541739 656215389 /nfs/dbraw/zinc/21/53/89/656215389.db2.gz VSUXSPLWXUUYQL-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN Cn1cc(C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)nn1 ZINC000991155069 656216362 /nfs/dbraw/zinc/21/63/62/656216362.db2.gz OEUHPLNPTMWHMD-LLVKDONJSA-N 0 3 292.343 -1.150 20 0 CAADHN Cn1cnc(C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC000991161943 656217182 /nfs/dbraw/zinc/21/71/82/656217182.db2.gz CGSVDVLYRSXFET-JTQLQIEISA-N 0 3 292.343 -1.150 20 0 CAADHN O=C(CNC(=O)[C@@H]1CCC(=O)N1)NCCN1CCCCC1 ZINC000909311784 656219630 /nfs/dbraw/zinc/21/96/30/656219630.db2.gz NUFSCJDOZYTNBI-NSHDSACASA-N 0 3 296.371 -1.017 20 0 CAADHN O=C(CNC(=O)C[C@@H]1CC(=O)N1)NCCN1CCCCC1 ZINC000909316590 656219641 /nfs/dbraw/zinc/21/96/41/656219641.db2.gz ZNLIUYFPJQLATE-LLVKDONJSA-N 0 3 296.371 -1.017 20 0 CAADHN CCN1CCCN(C(=O)[C@H](CO)NC(N)=O)[C@H](C)C1 ZINC000910284971 656222549 /nfs/dbraw/zinc/22/25/49/656222549.db2.gz WSHHSEDIGCQECO-ZJUUUORDSA-N 0 3 272.349 -1.042 20 0 CAADHN CN(CC(=O)N1CC(S(N)(=O)=O)C1)C1CCC1 ZINC000910533472 656225350 /nfs/dbraw/zinc/22/53/50/656225350.db2.gz DSSYTBVDTCYMNA-UHFFFAOYSA-N 0 3 261.347 -1.030 20 0 CAADHN CNC(=O)NCCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000910899945 656230349 /nfs/dbraw/zinc/23/03/49/656230349.db2.gz XHXYMGPHWOIISJ-JTQLQIEISA-N 0 3 299.375 -1.558 20 0 CAADHN COC[C@@H]1COCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000910902134 656230497 /nfs/dbraw/zinc/23/04/97/656230497.db2.gz MWEAHYHEQKBSSA-LLVKDONJSA-N 0 3 287.360 -1.120 20 0 CAADHN O=C(NC[C@H]1CCC=CO1)C(=O)N1CCNCCNCC1 ZINC000910974930 656231272 /nfs/dbraw/zinc/23/12/72/656231272.db2.gz BDJNHDUSOUIPTB-GFCCVEGCSA-N 0 3 296.371 -1.183 20 0 CAADHN O=C(NC[C@@H]1CCC=CO1)C(=O)N1CCNCCNCC1 ZINC000910974938 656231546 /nfs/dbraw/zinc/23/15/46/656231546.db2.gz BDJNHDUSOUIPTB-LBPRGKRZSA-N 0 3 296.371 -1.183 20 0 CAADHN O=C(NC[C@H]1CCCCO1)C(=O)N1CCNCCNCC1 ZINC000910973094 656231643 /nfs/dbraw/zinc/23/16/43/656231643.db2.gz PPMKFXLVCSNMMT-GFCCVEGCSA-N 0 3 298.387 -1.307 20 0 CAADHN O=C(NCCc1ccco1)C(=O)N1CCNCCNCC1 ZINC000910986218 656231876 /nfs/dbraw/zinc/23/18/76/656231876.db2.gz HSHAKDRKMUAZQX-UHFFFAOYSA-N 0 3 294.355 -1.040 20 0 CAADHN C[C@H]1CC[C@H](CNC(=O)C(=O)N2CCNCCNCC2)O1 ZINC000911018930 656232265 /nfs/dbraw/zinc/23/22/65/656232265.db2.gz QOGSUSXMMFHCMS-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN C[C@@]1(CNC(=O)C(=O)N2CCNCCNCC2)CCOC1 ZINC000911007475 656232359 /nfs/dbraw/zinc/23/23/59/656232359.db2.gz KATBCWXGMGNSCY-AWEZNQCLSA-N 0 3 298.387 -1.449 20 0 CAADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CNOC1 ZINC000911056374 656232816 /nfs/dbraw/zinc/23/28/16/656232816.db2.gz VYWSLZGEODUDRJ-QWRGUYRKSA-N 0 3 284.360 -1.003 20 0 CAADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911056372 656233154 /nfs/dbraw/zinc/23/31/54/656233154.db2.gz VYWSLZGEODUDRJ-GHMZBOCLSA-N 0 3 284.360 -1.003 20 0 CAADHN C[C@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000911162173 656235615 /nfs/dbraw/zinc/23/56/15/656235615.db2.gz QUGSDUWNRVPEIC-QWRGUYRKSA-N 0 3 284.360 -1.146 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911174545 656236357 /nfs/dbraw/zinc/23/63/57/656236357.db2.gz DIDCADCJROWRKQ-SNVBAGLBSA-N 0 3 288.348 -1.910 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N[C@H]1CNOC1 ZINC000911174544 656236677 /nfs/dbraw/zinc/23/66/77/656236677.db2.gz DIDCADCJROWRKQ-JTQLQIEISA-N 0 3 288.348 -1.910 20 0 CAADHN COC[C@H](NC(=O)C(=O)N1CCNCCNCC1)C1CC1 ZINC000911194151 656236777 /nfs/dbraw/zinc/23/67/77/656236777.db2.gz MPXGWRGLKTVXQO-LBPRGKRZSA-N 0 3 298.387 -1.451 20 0 CAADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CNOC1 ZINC000911212491 656237184 /nfs/dbraw/zinc/23/71/84/656237184.db2.gz ZZSHONUFEIZHFP-QWRGUYRKSA-N 0 3 284.360 -1.003 20 0 CAADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CNOC1 ZINC000911223256 656237852 /nfs/dbraw/zinc/23/78/52/656237852.db2.gz NAGRZYHQIXQGRI-QWRGUYRKSA-N 0 3 282.344 -1.394 20 0 CAADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CNOC1 ZINC000911223255 656237984 /nfs/dbraw/zinc/23/79/84/656237984.db2.gz NAGRZYHQIXQGRI-MNOVXSKESA-N 0 3 282.344 -1.394 20 0 CAADHN O=C(NCc1ccco1)C(=O)N1CCNCCNCC1 ZINC000911238279 656238259 /nfs/dbraw/zinc/23/82/59/656238259.db2.gz OEFYBHJXBSTEQY-UHFFFAOYSA-N 0 3 280.328 -1.083 20 0 CAADHN COCCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911246608 656238624 /nfs/dbraw/zinc/23/86/24/656238624.db2.gz JLCDGJZXWXYRRF-UHFFFAOYSA-N 0 3 272.349 -1.840 20 0 CAADHN O=C(NC[C@@H]1CCCO1)C(=O)N1CCNCCNCC1 ZINC000911244829 656239219 /nfs/dbraw/zinc/23/92/19/656239219.db2.gz SAHLRTXSXLZRKR-NSHDSACASA-N 0 3 284.360 -1.697 20 0 CAADHN CS[C@@H](C)CNC(=O)C(=O)N1CCNCCNCC1 ZINC000911254443 656239556 /nfs/dbraw/zinc/23/95/56/656239556.db2.gz FPMRKKKCSXEPHG-JTQLQIEISA-N 0 3 288.417 -1.125 20 0 CAADHN CCO[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000911309827 656241165 /nfs/dbraw/zinc/24/11/65/656241165.db2.gz HTKBFBLFBZGGQT-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@@H]1COC[C@@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000911309545 656241201 /nfs/dbraw/zinc/24/12/01/656241201.db2.gz FZRBNISQQGKOTP-BBBLOLIVSA-N 0 3 271.317 -1.758 20 0 CAADHN C[C@@H]1COC[C@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000911309546 656241297 /nfs/dbraw/zinc/24/12/97/656241297.db2.gz FZRBNISQQGKOTP-KXUCPTDWSA-N 0 3 271.317 -1.758 20 0 CAADHN O=C(NC[C@H]1C[C@@H]2COC[C@@H]2O1)C(=O)N1CCCNCC1 ZINC000911441100 656243971 /nfs/dbraw/zinc/24/39/71/656243971.db2.gz UHPLHPXOUKHYHA-UTUOFQBUSA-N 0 3 297.355 -1.272 20 0 CAADHN CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000911468677 656245251 /nfs/dbraw/zinc/24/52/51/656245251.db2.gz CJJYMLTYISMDFB-WDEREUQCSA-N 0 3 284.360 -1.053 20 0 CAADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000911468676 656245472 /nfs/dbraw/zinc/24/54/72/656245472.db2.gz CJJYMLTYISMDFB-QWRGUYRKSA-N 0 3 284.360 -1.053 20 0 CAADHN CC(C)(C)N1CC[C@H](NC(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000911453816 656245880 /nfs/dbraw/zinc/24/58/80/656245880.db2.gz DBNKWPFENCPXDM-VHSXEESVSA-N 0 3 284.360 -1.005 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CNOC1 ZINC000911470917 656245899 /nfs/dbraw/zinc/24/58/99/656245899.db2.gz YTOYNQHDSVCEIW-JTQLQIEISA-N 0 3 270.333 -1.440 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911454855 656246605 /nfs/dbraw/zinc/24/66/05/656246605.db2.gz ISFKCSGMUUGWSQ-ZJUUUORDSA-N 0 3 270.333 -1.441 20 0 CAADHN CN(CCN1CCCCC1)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911456828 656247298 /nfs/dbraw/zinc/24/72/98/656247298.db2.gz YGPZCMYMKUJNPJ-LLVKDONJSA-N 0 3 284.360 -1.050 20 0 CAADHN CC(C)N(CCN(C)C)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911461224 656247334 /nfs/dbraw/zinc/24/73/34/656247334.db2.gz HNENXQIIZBNDTM-SNVBAGLBSA-N 0 3 272.349 -1.195 20 0 CAADHN CC(C)N1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000911462869 656247766 /nfs/dbraw/zinc/24/77/66/656247766.db2.gz CJJYMLTYISMDFB-MNOVXSKESA-N 0 3 284.360 -1.053 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CNOC1 ZINC000911462900 656247777 /nfs/dbraw/zinc/24/77/77/656247777.db2.gz CYHSIKJCTKGXQF-VIFPVBQESA-N 0 3 270.333 -1.441 20 0 CAADHN CC(C)(C)N1CC[C@@H](NC(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000911462906 656248090 /nfs/dbraw/zinc/24/80/90/656248090.db2.gz DBNKWPFENCPXDM-ZJUUUORDSA-N 0 3 284.360 -1.005 20 0 CAADHN CC1(C)CCN(CCNC(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000911463581 656248213 /nfs/dbraw/zinc/24/82/13/656248213.db2.gz HGPHZTJPSLMYKP-JTQLQIEISA-N 0 3 284.360 -1.146 20 0 CAADHN O=C(NCCO[C@H]1CCOC1)C(=O)N1CCCNCC1 ZINC000911481924 656248621 /nfs/dbraw/zinc/24/86/21/656248621.db2.gz XRFLPOQONMDEDW-NSHDSACASA-N 0 3 285.344 -1.270 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)NCCCON ZINC000911506541 656250047 /nfs/dbraw/zinc/25/00/47/656250047.db2.gz NARKBYRPWDMMBT-UHFFFAOYSA-N 0 3 272.349 -1.063 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CC(N2CCOCC2)C1 ZINC000911642972 656251783 /nfs/dbraw/zinc/25/17/83/656251783.db2.gz CBSAVKIZJDFNRE-CQSZACIVSA-N 0 3 294.399 -1.081 20 0 CAADHN CN(C)C1(C(=O)NCC(=O)N2CCNCC2)CC1 ZINC000911702122 656252833 /nfs/dbraw/zinc/25/28/33/656252833.db2.gz IRHFLZDQKLDIEE-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN CN(C)CCN1CCN(C(=O)CCC(N)=O)CC1=O ZINC000911873295 656254232 /nfs/dbraw/zinc/25/42/32/656254232.db2.gz HDBAOSNVZTVOLN-UHFFFAOYSA-N 0 3 270.333 -1.516 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2C[C@@H]2C(N)=O)CC1=O ZINC000911874035 656254544 /nfs/dbraw/zinc/25/45/44/656254544.db2.gz VEHWHPUJFQICQO-VHSXEESVSA-N 0 3 282.344 -1.660 20 0 CAADHN CC1(C)CNCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC000911848348 656254635 /nfs/dbraw/zinc/25/46/35/656254635.db2.gz RYUFZEXMJXAHFE-ZETCQYMHSA-N 0 3 254.290 -1.205 20 0 CAADHN CN1CCC(N(CCO)C(=O)CN2CCNC(=O)C2)CC1 ZINC000911932054 656256005 /nfs/dbraw/zinc/25/60/05/656256005.db2.gz FZXRVTVBIPVARO-UHFFFAOYSA-N 0 3 298.387 -1.667 20 0 CAADHN CN1C[C@@H](C(=O)N(CCO)C2CCN(C)CC2)NC1=O ZINC000911944801 656256279 /nfs/dbraw/zinc/25/62/79/656256279.db2.gz CQPWUHRKQCWFAB-NSHDSACASA-N 0 3 284.360 -1.075 20 0 CAADHN C[C@@]1(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CN2CCC1CC2 ZINC000912374017 656259034 /nfs/dbraw/zinc/25/90/34/656259034.db2.gz IUXKGBNPZQHNCJ-RGCMKSIDSA-N 0 3 296.367 -1.000 20 0 CAADHN CCN(C(=O)CN1CCNC(=O)C1)[C@H]1CCN(C)C1 ZINC000912306647 656259170 /nfs/dbraw/zinc/25/91/70/656259170.db2.gz LSDYEULIBBPJIG-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000912377460 656259586 /nfs/dbraw/zinc/25/95/86/656259586.db2.gz NMOJBAALRWOMCR-NSHDSACASA-N 0 3 290.389 -1.359 20 0 CAADHN C[C@H](O)CN1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030024790 656260755 /nfs/dbraw/zinc/26/07/55/656260755.db2.gz LPWWVTMYIYTXGR-AEJSXWLSSA-N 0 3 298.343 -1.454 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC2=NCC(=O)N2C)CC1=O ZINC000912499336 656261258 /nfs/dbraw/zinc/26/12/58/656261258.db2.gz FKZFFMSMGJKBPH-SECBINFHSA-N 0 3 295.343 -1.659 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC2=NCC(=O)N2C)CC1=O ZINC000912499337 656261337 /nfs/dbraw/zinc/26/13/37/656261337.db2.gz FKZFFMSMGJKBPH-VIFPVBQESA-N 0 3 295.343 -1.659 20 0 CAADHN CN(CCO)CCN(C)C(=O)C(C)(C)NS(C)(=O)=O ZINC000912606742 656261603 /nfs/dbraw/zinc/26/16/03/656261603.db2.gz WTTXYCAHGMRBKJ-UHFFFAOYSA-N 0 3 295.405 -1.303 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC000912603108 656261734 /nfs/dbraw/zinc/26/17/34/656261734.db2.gz CYTHDZQPMYZNCC-NXEZZACHSA-N 0 3 257.334 -1.120 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1OCCN(C)C1=O ZINC000912598799 656261807 /nfs/dbraw/zinc/26/18/07/656261807.db2.gz GOYOBBCZZPQCNR-JTQLQIEISA-N 0 3 273.333 -1.774 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC000912606884 656262327 /nfs/dbraw/zinc/26/23/27/656262327.db2.gz HJYUWAWCCROPTQ-JTQLQIEISA-N 0 3 257.334 -1.105 20 0 CAADHN CCOC(=O)C[C@H](O)C(=O)N(C)CCN(C)CCO ZINC000912604646 656262131 /nfs/dbraw/zinc/26/21/31/656262131.db2.gz MOBJDIBNNYLWSA-JTQLQIEISA-N 0 3 276.333 -1.317 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CCCN1C=O ZINC000912598021 656262433 /nfs/dbraw/zinc/26/24/33/656262433.db2.gz BLZIUJONBSNBOB-NSHDSACASA-N 0 3 257.334 -1.010 20 0 CAADHN CN(CCO)CCN(C)C(=O)C1(n2cnnn2)CC1 ZINC000912598119 656262506 /nfs/dbraw/zinc/26/25/06/656262506.db2.gz BUXRWNPXIYUHBQ-UHFFFAOYSA-N 0 3 268.321 -1.455 20 0 CAADHN C[C@@H]1OC(=O)N[C@@H]1C(=O)N(C)CCN(C)CCO ZINC000912605135 656262545 /nfs/dbraw/zinc/26/25/45/656262545.db2.gz FVKQBAOFYZNPMY-IUCAKERBSA-N 0 3 259.306 -1.134 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CCCNC1=O ZINC000912600146 656262631 /nfs/dbraw/zinc/26/26/31/656262631.db2.gz RYXKTFAAMPETGZ-JTQLQIEISA-N 0 3 257.334 -1.105 20 0 CAADHN CN(CCO)CCN(C)C(=O)CN1CC(=O)NC1=O ZINC000912606203 656262668 /nfs/dbraw/zinc/26/26/68/656262668.db2.gz BVOZQDCBMCMMGA-UHFFFAOYSA-N 0 3 272.305 -2.079 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000912611469 656263178 /nfs/dbraw/zinc/26/31/78/656263178.db2.gz BFFFQAFWTPZYJO-ZJUUUORDSA-N 0 3 273.333 -1.598 20 0 CAADHN CN(CCO)CCN(C)C(=O)CN1CCCNC1=O ZINC000912609514 656263312 /nfs/dbraw/zinc/26/33/12/656263312.db2.gz DTYLQJHKNVJNTK-UHFFFAOYSA-N 0 3 272.349 -1.216 20 0 CAADHN COCC(=O)N(C)CC(=O)N(C)CCN(C)CCO ZINC000912608790 656263327 /nfs/dbraw/zinc/26/33/27/656263327.db2.gz YFGMRSYMCKMMGH-UHFFFAOYSA-N 0 3 275.349 -1.526 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)CCN(C)CCO ZINC000912608494 656263378 /nfs/dbraw/zinc/26/33/78/656263378.db2.gz XUCFQMCXWAIWRW-UHFFFAOYSA-N 0 3 281.378 -1.692 20 0 CAADHN CN(CCO)CCN(C)C(=O)CN1CCCS1(=O)=O ZINC000912609787 656263538 /nfs/dbraw/zinc/26/35/38/656263538.db2.gz MDHYQYUALSOGBP-UHFFFAOYSA-N 0 3 293.389 -1.596 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924852076 656269466 /nfs/dbraw/zinc/26/94/66/656269466.db2.gz DCPKVDBKXVFQNZ-JGVFFNPUSA-N 0 3 256.306 -1.055 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NS(N)(=O)=O)C1 ZINC000913054764 656270802 /nfs/dbraw/zinc/27/08/02/656270802.db2.gz ILUBRCRVKGVBNR-QMMMGPOBSA-N 0 3 262.335 -1.916 20 0 CAADHN C[C@H](C(=O)N(C)C)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924852255 656269058 /nfs/dbraw/zinc/26/90/58/656269058.db2.gz DCPKVDBKXVFQNZ-SFYZADRCSA-N 0 3 256.306 -1.055 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NS(N)(=O)=O)C1 ZINC000913054763 656270741 /nfs/dbraw/zinc/27/07/41/656270741.db2.gz ILUBRCRVKGVBNR-MRVPVSSYSA-N 0 3 262.335 -1.916 20 0 CAADHN CC1CCN(CC(=O)N2CC(NS(N)(=O)=O)C2)CC1 ZINC000913056525 656271217 /nfs/dbraw/zinc/27/12/17/656271217.db2.gz SUCOPLOHDNTHKB-UHFFFAOYSA-N 0 3 290.389 -1.278 20 0 CAADHN CN(C)C1(C(=O)N2CC(NS(N)(=O)=O)C2)CCC1 ZINC000913055185 656271334 /nfs/dbraw/zinc/27/13/34/656271334.db2.gz UXMHWRMHVIOLBB-UHFFFAOYSA-N 0 3 276.362 -1.525 20 0 CAADHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CC(O)(C(N)=O)C1 ZINC000913074350 656271737 /nfs/dbraw/zinc/27/17/37/656271737.db2.gz WJQQIWHVZUGRJE-DTORHVGOSA-N 0 3 255.318 -1.082 20 0 CAADHN CN1C[C@H](O)C[C@]1(C)C(=O)NCCN1CC[C@@H](O)C1 ZINC000913170916 656273132 /nfs/dbraw/zinc/27/31/32/656273132.db2.gz CBSRVLHTYLXUKN-NQBHXWOUSA-N 0 3 271.361 -1.376 20 0 CAADHN CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCN1CC[C@@H](O)C1 ZINC000913170915 656273431 /nfs/dbraw/zinc/27/34/31/656273431.db2.gz CBSRVLHTYLXUKN-MDZLAQPJSA-N 0 3 271.361 -1.376 20 0 CAADHN CN(CC(=O)NC[C@]1(CO)COCCN1)C1CCC1 ZINC000913185357 656276312 /nfs/dbraw/zinc/27/63/12/656276312.db2.gz ZIFUXEMBZCPLBX-ZDUSSCGKSA-N 0 3 271.361 -1.062 20 0 CAADHN CN1CCCC[C@@H]1C(=O)NC[C@@]1(CO)COCCN1 ZINC000913188454 656277086 /nfs/dbraw/zinc/27/70/86/656277086.db2.gz IRWWUFWGSGTEMX-DGCLKSJQSA-N 0 3 271.361 -1.062 20 0 CAADHN CCCN(C)CC(=O)NC[C@@]1(CO)COCCN1 ZINC000913187317 656277921 /nfs/dbraw/zinc/27/79/21/656277921.db2.gz ATXBAHQBSCBQHV-GFCCVEGCSA-N 0 3 259.350 -1.205 20 0 CAADHN C[C@@H]1[C@H](C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)CCN1C ZINC000913366956 656283015 /nfs/dbraw/zinc/28/30/15/656283015.db2.gz SGJRMZFOUSOCEV-ZYUZMQFOSA-N 0 3 276.358 -1.399 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1CO ZINC000913541551 656284745 /nfs/dbraw/zinc/28/47/45/656284745.db2.gz PFBBUXAAMUKFLV-AVGNSLFASA-N 0 3 283.372 -1.016 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)C[C@@H]1CO ZINC000913541552 656285089 /nfs/dbraw/zinc/28/50/89/656285089.db2.gz PFBBUXAAMUKFLV-UPJWGTAASA-N 0 3 283.372 -1.016 20 0 CAADHN CN1CCN(C(=O)CCc2cnn[nH]2)C[C@@H]1CO ZINC000913542130 656285653 /nfs/dbraw/zinc/28/56/53/656285653.db2.gz CQMKLEWKCILCRT-SNVBAGLBSA-N 0 3 253.306 -1.128 20 0 CAADHN CC(C)N1CCC[C@H]1C(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000991490927 656287771 /nfs/dbraw/zinc/28/77/71/656287771.db2.gz XBVWJFPRGBJCGZ-JTQLQIEISA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H](O)CN1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030031538 656287895 /nfs/dbraw/zinc/28/78/95/656287895.db2.gz LPWWVTMYIYTXGR-GUBZILKMSA-N 0 3 298.343 -1.454 20 0 CAADHN C[C@@H](O)CN1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001030031539 656288187 /nfs/dbraw/zinc/28/81/87/656288187.db2.gz LPWWVTMYIYTXGR-UTLUCORTSA-N 0 3 298.343 -1.454 20 0 CAADHN C[C@H](O)CN1CCC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001030034371 656288822 /nfs/dbraw/zinc/28/88/22/656288822.db2.gz UCWRNIFBLJPYFJ-GUBZILKMSA-N 0 3 298.343 -1.454 20 0 CAADHN CN1CCN(C)[C@@H](CNS(=O)(=O)N2CCNCC2)C1 ZINC000225363937 656297530 /nfs/dbraw/zinc/29/75/30/656297530.db2.gz ARKWSQPAQNONNG-NSHDSACASA-N 0 3 291.421 -2.028 20 0 CAADHN COC[C@@H]1COCCN1S(=O)(=O)C1CNC1 ZINC000923745584 656298614 /nfs/dbraw/zinc/29/86/14/656298614.db2.gz JFSNBAGLENCWMX-MRVPVSSYSA-N 0 3 250.320 -1.365 20 0 CAADHN NC(=O)CN1CC(NC(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001030348819 656305008 /nfs/dbraw/zinc/30/50/08/656305008.db2.gz XHRBKGMHCNNWJY-WDEREUQCSA-N 0 3 282.344 -1.865 20 0 CAADHN O=C(C[NH+]1CCCC1)NC1CN(C(=O)Cc2nnc[n-]2)C1 ZINC000991740636 656310994 /nfs/dbraw/zinc/31/09/94/656310994.db2.gz YSBZPNKRMFXPNA-UHFFFAOYSA-N 0 3 292.343 -1.230 20 0 CAADHN O=C(CNS(=O)(=O)N1CCNCC1)N1CCCCC1 ZINC000228839272 656315484 /nfs/dbraw/zinc/31/54/84/656315484.db2.gz BOHKABFOSGPAGJ-UHFFFAOYSA-N 0 3 290.389 -1.262 20 0 CAADHN CCN(CC)C(=O)CNS(=O)(=O)N1CCNCC1 ZINC000228839239 656315543 /nfs/dbraw/zinc/31/55/43/656315543.db2.gz VNRADPDSQZLHSC-UHFFFAOYSA-N 0 3 278.378 -1.406 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)Cn2nccn2)C1)N(C)C ZINC000991943069 656323814 /nfs/dbraw/zinc/32/38/14/656323814.db2.gz RNOXFJWTSWSNPT-NSHDSACASA-N 0 3 294.359 -1.055 20 0 CAADHN CO[C@@H](C)CN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005284 656326257 /nfs/dbraw/zinc/32/62/57/656326257.db2.gz VFHSZKBDOKHQCD-WDEREUQCSA-N 0 3 297.359 -1.193 20 0 CAADHN CO[C@@H](C)CN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005283 656326335 /nfs/dbraw/zinc/32/63/35/656326335.db2.gz VFHSZKBDOKHQCD-QWRGUYRKSA-N 0 3 297.359 -1.193 20 0 CAADHN Cn1nnc(C(=O)N[C@]23CCC[C@H]2N(CCO)CC3)n1 ZINC000992115054 656326688 /nfs/dbraw/zinc/32/66/88/656326688.db2.gz ABPHERUWYYHJQZ-SKDRFNHKSA-N 0 3 280.332 -1.071 20 0 CAADHN COC[C@@H](C)N1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015012021 656327005 /nfs/dbraw/zinc/32/70/05/656327005.db2.gz ZLCUBLKYCLDISR-GHMZBOCLSA-N 0 3 297.359 -1.193 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@H]1N([C@@H]1CCNC1=O)CC2 ZINC000992146834 656329238 /nfs/dbraw/zinc/32/92/38/656329238.db2.gz TVPOMKNTZIVMIH-KKFJDGPESA-N 0 3 280.328 -1.527 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@@H]1N([C@@H]1CCNC1=O)CC2 ZINC000992146847 656329330 /nfs/dbraw/zinc/32/93/30/656329330.db2.gz TVPOMKNTZIVMIH-ZDMBXUJBSA-N 0 3 280.328 -1.527 20 0 CAADHN CN1CC[C@H](N2CC[C@]3(NC(=O)C(N)=O)CCC[C@H]23)C1=O ZINC000992146808 656329345 /nfs/dbraw/zinc/32/93/45/656329345.db2.gz SZHHFHHFNDGITP-PKFCDNJMSA-N 0 3 294.355 -1.184 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@@H]1N([C@H]1CCNC1=O)CC2 ZINC000992146842 656329484 /nfs/dbraw/zinc/32/94/84/656329484.db2.gz TVPOMKNTZIVMIH-RVBZMBCESA-N 0 3 280.328 -1.527 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@H]1N([C@H]1CCNC1=O)CC2 ZINC000992146845 656329524 /nfs/dbraw/zinc/32/95/24/656329524.db2.gz TVPOMKNTZIVMIH-RWEMILLDSA-N 0 3 280.328 -1.527 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000270783979 656337493 /nfs/dbraw/zinc/33/74/93/656337493.db2.gz PMIMQZTYYDNXDO-BDAKNGLRSA-N 0 3 284.316 -1.579 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@@H]2COCO2)C1 ZINC000923854298 656338807 /nfs/dbraw/zinc/33/88/07/656338807.db2.gz XQGPGMVOUMVSFO-KOLCDFICSA-N 0 3 259.306 -1.275 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@H]2COCO2)C1 ZINC000923854290 656338835 /nfs/dbraw/zinc/33/88/35/656338835.db2.gz XQGPGMVOUMVSFO-GXSJLCMTSA-N 0 3 259.306 -1.275 20 0 CAADHN C[C@H]1CCCN1CC(=O)NC1CN(Cc2nnn(C)n2)C1 ZINC001030953984 656341601 /nfs/dbraw/zinc/34/16/01/656341601.db2.gz MKCQSLGTCNTCGD-JTQLQIEISA-N 0 3 293.375 -1.005 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NC1CN(CC(N)=O)C1 ZINC001030956023 656342067 /nfs/dbraw/zinc/34/20/67/656342067.db2.gz QKDVANFXMOQIPE-SECBINFHSA-N 0 3 254.334 -1.244 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NC1CN(Cc2nnn(C)n2)C1 ZINC001030953985 656342079 /nfs/dbraw/zinc/34/20/79/656342079.db2.gz MKCQSLGTCNTCGD-SNVBAGLBSA-N 0 3 293.375 -1.005 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)NCCNS(C)(=O)=O)CCN1C ZINC000914004188 656343332 /nfs/dbraw/zinc/34/33/32/656343332.db2.gz CUKMWSSVOBDCTA-BDAKNGLRSA-N 0 3 278.378 -1.073 20 0 CAADHN CN(C[C@H]1CCN(C)C1)S(=O)(=O)[C@@H]1COC[C@H]1O ZINC000914066638 656343628 /nfs/dbraw/zinc/34/36/28/656343628.db2.gz YJENUWAAJZWWSK-HBNTYKKESA-N 0 3 278.374 -1.041 20 0 CAADHN Cn1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000092023045 656344673 /nfs/dbraw/zinc/34/46/73/656344673.db2.gz WZZKPEQEDNULAI-UHFFFAOYSA-N 0 3 260.323 -1.945 20 0 CAADHN C[C@H]1[C@@H](NC(=O)Cn2cnnn2)CCCN1CCO ZINC000993020593 656349808 /nfs/dbraw/zinc/34/98/08/656349808.db2.gz YFPYFBWUTSDLKA-UWVGGRQHSA-N 0 3 268.321 -1.366 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@H]1CCN(CCCF)C1 ZINC001015511273 656351221 /nfs/dbraw/zinc/35/12/21/656351221.db2.gz VRZZFFSGGVXVEJ-NSHDSACASA-N 0 3 286.351 -1.032 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)CO)CC1 ZINC000929848636 656353693 /nfs/dbraw/zinc/35/36/93/656353693.db2.gz OWVKBVIGGXRJDV-NWDGAFQWSA-N 0 3 271.361 -1.422 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)CO)CC1 ZINC000929848638 656353776 /nfs/dbraw/zinc/35/37/76/656353776.db2.gz OWVKBVIGGXRJDV-VXGBXAGGSA-N 0 3 271.361 -1.422 20 0 CAADHN CN1C[C@@H]2CN(S(=O)(=O)[C@@H]3COC[C@H]3O)C[C@@H]2C1 ZINC000915052840 656354609 /nfs/dbraw/zinc/35/46/09/656354609.db2.gz CNDTVKJTQCJOIM-LMLFDSFASA-N 0 3 276.358 -1.431 20 0 CAADHN C[C@@H]1[C@H](NC(=O)CN2CN=NC2=O)CCCN1CCO ZINC000993216958 656355819 /nfs/dbraw/zinc/35/58/19/656355819.db2.gz OKMXWRQUAHQHFH-NXEZZACHSA-N 0 3 283.332 -1.055 20 0 CAADHN C[C@H]1[C@H](NC(=O)Cn2ncnn2)CCCN1CCO ZINC000993350934 656359210 /nfs/dbraw/zinc/35/92/10/656359210.db2.gz NWYJJYXKZRDRDP-VHSXEESVSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCCN1CCO ZINC000993425208 656359299 /nfs/dbraw/zinc/35/92/99/656359299.db2.gz OKSIYWSDWSMGRG-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@@H]1[C@H](NC(=O)CN2CCOCC2=O)CCCN1CCO ZINC000993425212 656359540 /nfs/dbraw/zinc/35/95/40/656359540.db2.gz OKSIYWSDWSMGRG-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN NC(=O)C(=O)N1CC(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC000993573455 656360604 /nfs/dbraw/zinc/36/06/04/656360604.db2.gz YFYSSDPKMWZNBD-ZJUUUORDSA-N 0 3 296.327 -2.338 20 0 CAADHN NC(=O)C(=O)N1CC(NC(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000993573453 656360955 /nfs/dbraw/zinc/36/09/55/656360955.db2.gz YFYSSDPKMWZNBD-VHSXEESVSA-N 0 3 296.327 -2.338 20 0 CAADHN COCCN(C)CCNC(=O)N1CCOC[C@H]1CO ZINC000916330398 656363982 /nfs/dbraw/zinc/36/39/82/656363982.db2.gz HZZCYIFBXVDVCP-LLVKDONJSA-N 0 3 275.349 -1.033 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CN([C@@H]2CCNC2=O)C1 ZINC001031313306 656364078 /nfs/dbraw/zinc/36/40/78/656364078.db2.gz ICOQUVPQWOCNNX-LLVKDONJSA-N 0 3 277.328 -1.050 20 0 CAADHN C[C@@H]1[C@H](NC(=O)CN2C(=O)CNC2=O)CCCN1CCO ZINC000994368677 656365181 /nfs/dbraw/zinc/36/51/81/656365181.db2.gz WAXPWDRIIDRPMR-NXEZZACHSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@H](CCO)N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000929983898 656368477 /nfs/dbraw/zinc/36/84/77/656368477.db2.gz JJCPUJDAOJDAHM-UTUOFQBUSA-N 0 3 292.401 -1.155 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCN(C[C@H](O)[C@H](C)O)C(C)(C)C1 ZINC000929999945 656370202 /nfs/dbraw/zinc/37/02/02/656370202.db2.gz WLQFWBSLGOSBII-RVMXOQNASA-N 0 3 290.404 -1.134 20 0 CAADHN CCC[C@H]1CN(C[C@@H](O)CO)CCN1C[C@@H](O)CO ZINC000930022099 656371621 /nfs/dbraw/zinc/37/16/21/656371621.db2.gz SWTMZHLDAJNREY-YNEHKIRRSA-N 0 3 276.377 -1.521 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)NCCN2C(=O)CNC2=O)CCN1C ZINC000918503368 656372198 /nfs/dbraw/zinc/37/21/98/656372198.db2.gz VFAQUYRVFJODNW-BDAKNGLRSA-N 0 3 283.332 -1.070 20 0 CAADHN C[C@H]1[C@@H](NC(=O)NCCN2C(=O)CNC2=O)CCN1C ZINC000918503370 656372501 /nfs/dbraw/zinc/37/25/01/656372501.db2.gz VFAQUYRVFJODNW-IUCAKERBSA-N 0 3 283.332 -1.070 20 0 CAADHN NS(=O)(=O)C1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000918891649 656373512 /nfs/dbraw/zinc/37/35/12/656373512.db2.gz ATJDLCVHPDTPQQ-MRVPVSSYSA-N 0 3 288.373 -1.095 20 0 CAADHN O=C(NC[C@H]1COCO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000923842068 656374388 /nfs/dbraw/zinc/37/43/88/656374388.db2.gz CQQYTYGHBZJTCJ-AXFHLTTASA-N 0 3 271.317 -1.180 20 0 CAADHN O=C(NC[C@@H]1COCO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000923842069 656374670 /nfs/dbraw/zinc/37/46/70/656374670.db2.gz CQQYTYGHBZJTCJ-HBNTYKKESA-N 0 3 271.317 -1.180 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001031557377 656374960 /nfs/dbraw/zinc/37/49/60/656374960.db2.gz UJUODMSETKZERL-KOLCDFICSA-N 0 3 258.318 -1.169 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2COCCO2)C1 ZINC001031557379 656375256 /nfs/dbraw/zinc/37/52/56/656375256.db2.gz UJUODMSETKZERL-ONGXEEELSA-N 0 3 258.318 -1.169 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001031557376 656375355 /nfs/dbraw/zinc/37/53/55/656375355.db2.gz UJUODMSETKZERL-GXSJLCMTSA-N 0 3 258.318 -1.169 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@H]1CCC(=O)N1 ZINC001031582905 656376624 /nfs/dbraw/zinc/37/66/24/656376624.db2.gz YZOOMDVQUUXXRP-SNVBAGLBSA-N 0 3 255.318 -1.305 20 0 CAADHN CC[C@@H](C)[C@@H]1CN(C[C@H](O)CO)CCN1C[C@H](O)CO ZINC000930079707 656377335 /nfs/dbraw/zinc/37/73/35/656377335.db2.gz IINNYVXBAIYDJT-RFGFWPKPSA-N 0 3 290.404 -1.275 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001031613996 656378284 /nfs/dbraw/zinc/37/82/84/656378284.db2.gz UHWAKCMMLKDDGO-KOLCDFICSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001031620691 656378406 /nfs/dbraw/zinc/37/84/06/656378406.db2.gz BENWCFHGUIKQOS-JQWIXIFHSA-N 0 3 271.361 -1.254 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031623396 656378931 /nfs/dbraw/zinc/37/89/31/656378931.db2.gz CIXSWFFZIOSMLQ-GFCCVEGCSA-N 0 3 271.361 -1.253 20 0 CAADHN CC(=O)N1CC(C(=O)NCC2CN(C[C@@H](C)O)C2)C1 ZINC001031636244 656379439 /nfs/dbraw/zinc/37/94/39/656379439.db2.gz QMBHVNFAJCSXDB-SECBINFHSA-N 0 3 269.345 -1.107 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)c2cnnn2C)C1 ZINC001031646182 656380247 /nfs/dbraw/zinc/38/02/47/656380247.db2.gz VTRMHIXMUBCFRZ-QMMMGPOBSA-N 0 3 253.306 -1.143 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2COC(=O)N2)C1 ZINC001031646409 656380525 /nfs/dbraw/zinc/38/05/25/656380525.db2.gz BLTPNDVJNXYGDG-CBAPKCEASA-N 0 3 257.290 -1.476 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001031711597 656384494 /nfs/dbraw/zinc/38/44/94/656384494.db2.gz IVPAJWKWNUYABP-ONGXEEELSA-N 0 3 269.345 -1.107 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001031711596 656384994 /nfs/dbraw/zinc/38/49/94/656384994.db2.gz IVPAJWKWNUYABP-MWLCHTKSSA-N 0 3 269.345 -1.107 20 0 CAADHN CN1C[C@H](C(=O)NCC2CN(CCCO)C2)CC1=O ZINC001031712549 656385048 /nfs/dbraw/zinc/38/50/48/656385048.db2.gz CDKDYVNZKGMOTJ-LLVKDONJSA-N 0 3 269.345 -1.105 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC000938387544 656385778 /nfs/dbraw/zinc/38/57/78/656385778.db2.gz SBKRTDGVWBVMGB-VIFPVBQESA-N 0 3 293.327 -1.147 20 0 CAADHN C[C@H]1CCCN1CC(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC000938586128 656388819 /nfs/dbraw/zinc/38/88/19/656388819.db2.gz IFVQTZOEZCTASO-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@@H]1CCCNC1=O ZINC001031747512 656390122 /nfs/dbraw/zinc/39/01/22/656390122.db2.gz KCWBSILESZGTQV-LLVKDONJSA-N 0 3 269.345 -1.057 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001031748816 656390497 /nfs/dbraw/zinc/39/04/97/656390497.db2.gz JGLFYQOOLWUIBA-GXSJLCMTSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCC2CN(CCO)C2)O1 ZINC001031765717 656391502 /nfs/dbraw/zinc/39/15/02/656391502.db2.gz NBPLWCSNFZYEBG-ZYHUDNBSSA-N 0 3 271.361 -1.254 20 0 CAADHN C[C@@H]1CN(C(=O)CCc2cnn(C)n2)C[C@H]1NCC(N)=O ZINC000939147493 656392167 /nfs/dbraw/zinc/39/21/67/656392167.db2.gz OQTNTYLVIFJYCL-MWLCHTKSSA-N 0 3 294.359 -1.331 20 0 CAADHN C[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1NCC(N)=O ZINC000939216497 656392826 /nfs/dbraw/zinc/39/28/26/656392826.db2.gz WRJYTWRISRYSLX-WPRPVWTQSA-N 0 3 265.317 -1.126 20 0 CAADHN O=C(NCC1CN(CCn2cncn2)C1)c1cn[nH]n1 ZINC001031808982 656393830 /nfs/dbraw/zinc/39/38/30/656393830.db2.gz FMPBIFBSGXZOIE-UHFFFAOYSA-N 0 3 276.304 -1.242 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCC(N)=O ZINC000939310600 656394267 /nfs/dbraw/zinc/39/42/67/656394267.db2.gz ZSLKETJBMMIUBF-VXNVDRBHSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnon2)C[C@H]1NCC(N)=O ZINC000939356029 656394375 /nfs/dbraw/zinc/39/43/75/656394375.db2.gz SPQLUABDBMZYMJ-HTRCEHHLSA-N 0 3 253.262 -1.395 20 0 CAADHN C[C@H]1CCN(CC(=O)N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000939377225 656394657 /nfs/dbraw/zinc/39/46/57/656394657.db2.gz XFUMHMILTOWEFS-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1NCC(N)=O ZINC000939534507 656396779 /nfs/dbraw/zinc/39/67/79/656396779.db2.gz KYJYYADXAAABKK-MWLCHTKSSA-N 0 3 279.344 -1.116 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1NC(=O)C(N)=O ZINC000939700264 656398351 /nfs/dbraw/zinc/39/83/51/656398351.db2.gz YBNXTEGTDUJLRN-OUAUKWLOSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000939700161 656398661 /nfs/dbraw/zinc/39/86/61/656398661.db2.gz QUSWRQGTSCVABX-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1NCC(N)=O ZINC000939683196 656398666 /nfs/dbraw/zinc/39/86/66/656398666.db2.gz RMFCMIQSXJYAOZ-PSASIEDQSA-N 0 3 293.327 -1.684 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@H](N(C)C(=O)C(N)=O)C2)C1 ZINC000939700162 656398734 /nfs/dbraw/zinc/39/87/34/656398734.db2.gz QUSWRQGTSCVABX-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)C[C@H]1NCC(N)=O ZINC000939695887 656399230 /nfs/dbraw/zinc/39/92/30/656399230.db2.gz CADYXKNJWJOBNQ-HTQZYQBOSA-N 0 3 297.315 -2.540 20 0 CAADHN Cc1nonc1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC000939859474 656399494 /nfs/dbraw/zinc/39/94/94/656399494.db2.gz GPHCPCKTDKBSBT-HTRCEHHLSA-N 0 3 267.289 -1.087 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1NCC(N)=O ZINC000939856596 656399514 /nfs/dbraw/zinc/39/95/14/656399514.db2.gz OUXXWLDCXLDVRB-NXEZZACHSA-N 0 3 265.317 -1.195 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031862589 656400260 /nfs/dbraw/zinc/40/02/60/656400260.db2.gz HCRFZBQAXSXXFB-VIFPVBQESA-N 0 3 280.328 -1.177 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)NCC2CN(CCCO)C2)c1=O ZINC001031895071 656402508 /nfs/dbraw/zinc/40/25/08/656402508.db2.gz LHQOHVBLNWLEBK-UHFFFAOYSA-N 0 3 296.327 -1.470 20 0 CAADHN NC(=O)[C@H]1CC[C@@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031901343 656403520 /nfs/dbraw/zinc/40/35/20/656403520.db2.gz RQUJVOFFVLOOEO-QWRGUYRKSA-N 0 3 269.345 -1.072 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001031901068 656403717 /nfs/dbraw/zinc/40/37/17/656403717.db2.gz KWHUYELUUYHXGF-WCBMZHEXSA-N 0 3 270.333 -1.561 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031901342 656403936 /nfs/dbraw/zinc/40/39/36/656403936.db2.gz RQUJVOFFVLOOEO-MNOVXSKESA-N 0 3 269.345 -1.072 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001031901069 656404174 /nfs/dbraw/zinc/40/41/74/656404174.db2.gz KWHUYELUUYHXGF-WPRPVWTQSA-N 0 3 270.333 -1.561 20 0 CAADHN CN1CC[C@H](C(=O)NCC2CN(CCCO)C2)C1=O ZINC001031908619 656405481 /nfs/dbraw/zinc/40/54/81/656405481.db2.gz YHVKYADQTDECLF-LLVKDONJSA-N 0 3 269.345 -1.105 20 0 CAADHN COC[C@H](C)N1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031943158 656410382 /nfs/dbraw/zinc/41/03/82/656410382.db2.gz XWKRXPCUWJPACT-WCBMZHEXSA-N 0 3 270.333 -1.249 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031941122 656410404 /nfs/dbraw/zinc/41/04/04/656410404.db2.gz ANNXNINTMUHXNZ-IONNQARKSA-N 0 3 256.306 -1.903 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@H]1CNC(=O)N1 ZINC001031943319 656410460 /nfs/dbraw/zinc/41/04/60/656410460.db2.gz ZXYOMYKXNNSZEU-SECBINFHSA-N 0 3 256.306 -1.902 20 0 CAADHN CO[C@@H](C)CN1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031941477 656410991 /nfs/dbraw/zinc/41/09/91/656410991.db2.gz DWPRVEHWUFKTOB-WCBMZHEXSA-N 0 3 270.333 -1.249 20 0 CAADHN NC(=O)C(=O)N1CCN(C2CN(C[C@H]3CCOC3)C2)CC1 ZINC000941543938 656415339 /nfs/dbraw/zinc/41/53/39/656415339.db2.gz WMSJNEPSVRGRIW-LLVKDONJSA-N 0 3 296.371 -1.663 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000941931723 656448161 /nfs/dbraw/zinc/44/81/61/656448161.db2.gz IZNSSIGVXGWRMG-MRVPVSSYSA-N 0 3 279.300 -1.537 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000942308689 656457308 /nfs/dbraw/zinc/45/73/08/656457308.db2.gz YRXWEVNUGMKJKQ-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942307917 656457620 /nfs/dbraw/zinc/45/76/20/656457620.db2.gz IFVQTZOEZCTASO-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN O=C(N[C@H]1CCN(CCN2CCNC2=O)C1)c1ncn[nH]1 ZINC001015872073 656458922 /nfs/dbraw/zinc/45/89/22/656458922.db2.gz ZECHNAAEQLOFKJ-VIFPVBQESA-N 0 3 293.331 -1.366 20 0 CAADHN O=C(N[C@H]1CCN(CCN2CCNC2=O)C1)c1nc[nH]n1 ZINC001015872073 656458925 /nfs/dbraw/zinc/45/89/25/656458925.db2.gz ZECHNAAEQLOFKJ-VIFPVBQESA-N 0 3 293.331 -1.366 20 0 CAADHN COC[C@H](C)N1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032014098 656459201 /nfs/dbraw/zinc/45/92/01/656459201.db2.gz UUYKXECKBBEDER-WPRPVWTQSA-N 0 3 298.343 -1.333 20 0 CAADHN C[C@H]1CCCN1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000942433340 656460347 /nfs/dbraw/zinc/46/03/47/656460347.db2.gz REJANRIJGUEISX-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1CN(CCO)CC[C@@H]1NC(=O)c1nnn(C)n1 ZINC000942567035 656460375 /nfs/dbraw/zinc/46/03/75/656460375.db2.gz CZJRHLNCUIOWDQ-BDAKNGLRSA-N 0 3 268.321 -1.357 20 0 CAADHN C[C@H]1CN(CCN2CCCC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000942594919 656461095 /nfs/dbraw/zinc/46/10/95/656461095.db2.gz QOKFZPNJZKKLPG-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CN(CCn2cncn2)CC[C@H]1NC(=O)C(N)=O ZINC000942595104 656461140 /nfs/dbraw/zinc/46/11/40/656461140.db2.gz UBQJAEFASXMQSO-NXEZZACHSA-N 0 3 280.332 -1.410 20 0 CAADHN C[C@@H]1CN(CCn2cncn2)CC[C@@H]1NC(=O)C(N)=O ZINC000942595107 656461415 /nfs/dbraw/zinc/46/14/15/656461415.db2.gz UBQJAEFASXMQSO-ZJUUUORDSA-N 0 3 280.332 -1.410 20 0 CAADHN C[C@H]1CN(CCn2cncn2)CC[C@H]1NC(=O)C(N)=O ZINC000942595106 656461704 /nfs/dbraw/zinc/46/17/04/656461704.db2.gz UBQJAEFASXMQSO-VHSXEESVSA-N 0 3 280.332 -1.410 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032051353 656462615 /nfs/dbraw/zinc/46/26/15/656462615.db2.gz KCQLDKVJINIPHG-MRVPVSSYSA-N 0 3 283.328 -1.532 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001032051354 656462647 /nfs/dbraw/zinc/46/26/47/656462647.db2.gz KCQLDKVJINIPHG-QMMMGPOBSA-N 0 3 283.328 -1.532 20 0 CAADHN O=C(NCC1CN(CCCO)C1)C1CC(=O)NC(=O)C1 ZINC001032047494 656462753 /nfs/dbraw/zinc/46/27/53/656462753.db2.gz CFZCTRVXUDFMHX-UHFFFAOYSA-N 0 3 283.328 -1.530 20 0 CAADHN C[C@H]1CN(CC(N)=O)CC[C@@H]1NC(=O)c1ncn[nH]1 ZINC000943702584 656464986 /nfs/dbraw/zinc/46/49/86/656464986.db2.gz OYPLPGJUCZNZII-YUMQZZPRSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@H]1CN(CC(N)=O)CC[C@@H]1NC(=O)c1nc[nH]n1 ZINC000943702584 656464992 /nfs/dbraw/zinc/46/49/92/656464992.db2.gz OYPLPGJUCZNZII-YUMQZZPRSA-N 0 3 266.305 -1.270 20 0 CAADHN O=C(NCC1CN(CCO)C1)[C@@H]1CCc2n[nH]nc2C1 ZINC001032126472 656465865 /nfs/dbraw/zinc/46/58/65/656465865.db2.gz DKFQFLLXGVWONP-SNVBAGLBSA-N 0 3 279.344 -1.050 20 0 CAADHN O=C(NCC1CN(CCO)C1)[C@H]1CCc2n[nH]nc2C1 ZINC001032126470 656466466 /nfs/dbraw/zinc/46/64/66/656466466.db2.gz DKFQFLLXGVWONP-JTQLQIEISA-N 0 3 279.344 -1.050 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)NCC2CN(C[C@@H](C)O)C2)C1 ZINC001032163984 656466724 /nfs/dbraw/zinc/46/67/24/656466724.db2.gz NWTFMYXQJHJPBF-ZWNOBZJWSA-N 0 3 299.371 -1.338 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@@H]1CCC(=O)N1 ZINC001032137927 656466784 /nfs/dbraw/zinc/46/67/84/656466784.db2.gz YZOOMDVQUUXXRP-JTQLQIEISA-N 0 3 255.318 -1.305 20 0 CAADHN C[C@@H]1CN(CC(N)=O)CC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047144 656466947 /nfs/dbraw/zinc/46/69/47/656466947.db2.gz OIILDYOSAXEGKV-RKDXNWHRSA-N 0 3 280.332 -1.341 20 0 CAADHN C[C@H]1CN(CC(N)=O)CC[C@@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047143 656467163 /nfs/dbraw/zinc/46/71/63/656467163.db2.gz OIILDYOSAXEGKV-IUCAKERBSA-N 0 3 280.332 -1.341 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)NCC2CN(C[C@H](C)O)C2)C1 ZINC001032163982 656467250 /nfs/dbraw/zinc/46/72/50/656467250.db2.gz NWTFMYXQJHJPBF-GXFFZTMASA-N 0 3 299.371 -1.338 20 0 CAADHN C[C@H]1CN(CC(N)=O)CC[C@H]1NC(=O)Cc1nnc[nH]1 ZINC000944047142 656467483 /nfs/dbraw/zinc/46/74/83/656467483.db2.gz OIILDYOSAXEGKV-DTWKUNHWSA-N 0 3 280.332 -1.341 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)NCC2CN(C[C@H](C)O)C2)C1 ZINC001032163981 656467515 /nfs/dbraw/zinc/46/75/15/656467515.db2.gz NWTFMYXQJHJPBF-GWCFXTLKSA-N 0 3 299.371 -1.338 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001032184685 656468186 /nfs/dbraw/zinc/46/81/86/656468186.db2.gz VQANWUTYMJKEBX-QMMMGPOBSA-N 0 3 296.327 -1.472 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001032173161 656468647 /nfs/dbraw/zinc/46/86/47/656468647.db2.gz QKVGYJJXCZPNPZ-SECBINFHSA-N 0 3 280.328 -1.177 20 0 CAADHN CCN1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001032194272 656469857 /nfs/dbraw/zinc/46/98/57/656469857.db2.gz ORRHNCDAZNHLCO-SECBINFHSA-N 0 3 261.347 -1.254 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001032194503 656469922 /nfs/dbraw/zinc/46/99/22/656469922.db2.gz RIEPLTSFVJMZDR-SCZZXKLOSA-N 0 3 291.373 -1.893 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001032193865 656469942 /nfs/dbraw/zinc/46/99/42/656469942.db2.gz IVULQBLCKLWXFB-SNVBAGLBSA-N 0 3 291.373 -1.892 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)NCC1CN(C[C@H](C)O)C1 ZINC001032195612 656470310 /nfs/dbraw/zinc/47/03/10/656470310.db2.gz CFYXVBPLHZYYMH-GXFFZTMASA-N 0 3 299.371 -1.338 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001032194506 656470601 /nfs/dbraw/zinc/47/06/01/656470601.db2.gz RIEPLTSFVJMZDR-WCBMZHEXSA-N 0 3 291.373 -1.893 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NNC(=O)C2CC2)CC1=O ZINC000072795190 656471461 /nfs/dbraw/zinc/47/14/61/656471461.db2.gz PBOUDHCSSWVTLG-JTQLQIEISA-N 0 3 282.344 -1.046 20 0 CAADHN CCCN1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001032206760 656471861 /nfs/dbraw/zinc/47/18/61/656471861.db2.gz IGTFYFRMQZVCQW-UHFFFAOYSA-N 0 3 280.332 -1.165 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2COCCO2)C[C@@H]1NCC(N)=O ZINC000995507111 656472283 /nfs/dbraw/zinc/47/22/83/656472283.db2.gz UOTMYVPNPIKYLW-UWVGGRQHSA-N 0 3 285.344 -1.286 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1NCC(N)=O ZINC000995548674 656472941 /nfs/dbraw/zinc/47/29/41/656472941.db2.gz RUQKVBBUMXFYTQ-RKDXNWHRSA-N 0 3 282.344 -1.423 20 0 CAADHN CC1(C)CN(C(=O)CS(C)(=O)=O)C[C@H]1NCC(N)=O ZINC000995534046 656472980 /nfs/dbraw/zinc/47/29/80/656472980.db2.gz MDSBASBZSCZTMI-MRVPVSSYSA-N 0 3 291.373 -1.657 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1NCC(N)=O ZINC000995548671 656473082 /nfs/dbraw/zinc/47/30/82/656473082.db2.gz RUQKVBBUMXFYTQ-BDAKNGLRSA-N 0 3 282.344 -1.423 20 0 CAADHN CN1CCO[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995604121 656473506 /nfs/dbraw/zinc/47/35/06/656473506.db2.gz LAYVHZXRVDPXGP-MNOVXSKESA-N 0 3 298.387 -1.371 20 0 CAADHN C[C@@H](N[C@H]1CN(C(=O)CC(N)=O)CC1(C)C)C(N)=O ZINC000995566687 656473721 /nfs/dbraw/zinc/47/37/21/656473721.db2.gz RNUDZNOAQHINDI-SFYZADRCSA-N 0 3 270.333 -1.438 20 0 CAADHN CN1CC[C@H](N[C@H]2CN(C(=O)CC(N)=O)CC2(C)C)C1=O ZINC000995574249 656473783 /nfs/dbraw/zinc/47/37/83/656473783.db2.gz MLJDDCLJZVDDHE-UWVGGRQHSA-N 0 3 296.371 -1.081 20 0 CAADHN CC[C@@H](N[C@H]1CN(C(=O)CC(N)=O)CC1(C)C)C(N)=O ZINC000995574273 656473790 /nfs/dbraw/zinc/47/37/90/656473790.db2.gz MOLQZBIXCYRCTF-BDAKNGLRSA-N 0 3 284.360 -1.048 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@H]1N[C@@H]1CCNC1=O ZINC000995560416 656473814 /nfs/dbraw/zinc/47/38/14/656473814.db2.gz JSOGUSGORLYLDF-RKDXNWHRSA-N 0 3 282.344 -1.423 20 0 CAADHN CN1CC[C@H](N[C@@H]2CN(C(=O)CC(N)=O)CC2(C)C)C1=O ZINC000995574252 656473868 /nfs/dbraw/zinc/47/38/68/656473868.db2.gz MLJDDCLJZVDDHE-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)N1CCC1 ZINC000995574958 656473922 /nfs/dbraw/zinc/47/39/22/656473922.db2.gz QHVKKLRFIWUWOW-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN CC[C@H](N[C@@H]1CN(C(=O)CC(N)=O)CC1(C)C)C(N)=O ZINC000995574274 656473936 /nfs/dbraw/zinc/47/39/36/656473936.db2.gz MOLQZBIXCYRCTF-DTWKUNHWSA-N 0 3 284.360 -1.048 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001032213027 656473983 /nfs/dbraw/zinc/47/39/83/656473983.db2.gz WJAJICOJSOAKJB-SECBINFHSA-N 0 3 282.344 -1.234 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CC(N)=O)CC1(C)C)C(N)=O ZINC000995566668 656474095 /nfs/dbraw/zinc/47/40/95/656474095.db2.gz RNUDZNOAQHINDI-HTQZYQBOSA-N 0 3 270.333 -1.438 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032226644 656475505 /nfs/dbraw/zinc/47/55/05/656475505.db2.gz PZCUKNGWXRZKDP-ONGXEEELSA-N 0 3 284.360 -1.042 20 0 CAADHN NC(=O)N1CCC[C@H]1C(=O)NCC1CN(CCCO)C1 ZINC001032226342 656475715 /nfs/dbraw/zinc/47/57/15/656475715.db2.gz DDKKPYVCSUFVMW-NSHDSACASA-N 0 3 284.360 -1.040 20 0 CAADHN CN1CCOC[C@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995699065 656478317 /nfs/dbraw/zinc/47/83/17/656478317.db2.gz RKXIBFDXKPCINS-QWRGUYRKSA-N 0 3 298.387 -1.371 20 0 CAADHN Cn1ncc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)c1N ZINC000995710887 656483078 /nfs/dbraw/zinc/48/30/78/656483078.db2.gz MWMMPJZBZUZJNO-VIFPVBQESA-N 0 3 294.359 -1.072 20 0 CAADHN C[C@@H](N[C@H]1CN(C(=O)Cn2ncnn2)CC1(C)C)C(N)=O ZINC000995799485 656483662 /nfs/dbraw/zinc/48/36/62/656483662.db2.gz WWTOFCNIPVHZGI-BDAKNGLRSA-N 0 3 295.347 -1.627 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)Cn2ncnn2)CC1(C)C)C(N)=O ZINC000995799488 656483934 /nfs/dbraw/zinc/48/39/34/656483934.db2.gz WWTOFCNIPVHZGI-RKDXNWHRSA-N 0 3 295.347 -1.627 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1 ZINC000995729227 656484170 /nfs/dbraw/zinc/48/41/70/656484170.db2.gz QSVLLMRAZBZAEB-NSHDSACASA-N 0 3 296.371 -1.223 20 0 CAADHN CC1(C)CN(C(=O)CCn2ccnn2)C[C@H]1NCC(N)=O ZINC000995727422 656484320 /nfs/dbraw/zinc/48/43/20/656484320.db2.gz MFIOPDIGLPPWLP-SNVBAGLBSA-N 0 3 294.359 -1.020 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1NCC(N)=O ZINC000995764387 656484353 /nfs/dbraw/zinc/48/43/53/656484353.db2.gz LOGNYWNYLFJHFR-JGVFFNPUSA-N 0 3 284.316 -1.593 20 0 CAADHN Cn1cc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)nn1 ZINC000995763846 656484416 /nfs/dbraw/zinc/48/44/16/656484416.db2.gz SDLIEULXUJBXFP-VIFPVBQESA-N 0 3 280.332 -1.259 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2COC(=O)N2)C[C@@H]1NCC(N)=O ZINC000995764394 656484457 /nfs/dbraw/zinc/48/44/57/656484457.db2.gz LOGNYWNYLFJHFR-YUMQZZPRSA-N 0 3 284.316 -1.593 20 0 CAADHN Cn1nncc1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000995749472 656484883 /nfs/dbraw/zinc/48/48/83/656484883.db2.gz YGKJTUACXRYSHA-SECBINFHSA-N 0 3 280.332 -1.259 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)[nH]1 ZINC000995787048 656484955 /nfs/dbraw/zinc/48/49/55/656484955.db2.gz PZQUBQSTVIPMQJ-SECBINFHSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@H](N[C@H]1CN(C(=O)c2nnn(C)n2)CC1(C)C)C(N)=O ZINC000996155574 656485227 /nfs/dbraw/zinc/48/52/27/656485227.db2.gz VNEYYIBIBWVTBE-YUMQZZPRSA-N 0 3 295.347 -1.476 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1NCC(N)=O ZINC000995929321 656485254 /nfs/dbraw/zinc/48/52/54/656485254.db2.gz VPFKFAIGPRZBDQ-VHSXEESVSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1NCC(N)=O ZINC000996127621 656485425 /nfs/dbraw/zinc/48/54/25/656485425.db2.gz PTUHYDMWIAAKKZ-RKDXNWHRSA-N 0 3 282.344 -1.566 20 0 CAADHN CC1(C)CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@@H]1NCC(N)=O ZINC000996070520 656485757 /nfs/dbraw/zinc/48/57/57/656485757.db2.gz ABGJJTPKWOIVNY-LKFCYVNXSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CCCNC2=O)C[C@@H]1NCC(N)=O ZINC000995929325 656485829 /nfs/dbraw/zinc/48/58/29/656485829.db2.gz VPFKFAIGPRZBDQ-ZJUUUORDSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCCC(=O)N2)C[C@H]1NCC(N)=O ZINC000995943766 656485967 /nfs/dbraw/zinc/48/59/67/656485967.db2.gz YXOVBGUVPBWPTL-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCCNC2=O)C[C@@H]1NCC(N)=O ZINC000995929318 656486214 /nfs/dbraw/zinc/48/62/14/656486214.db2.gz VPFKFAIGPRZBDQ-UWVGGRQHSA-N 0 3 296.371 -1.176 20 0 CAADHN CN1C[C@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)CC1=O ZINC000995875382 656486232 /nfs/dbraw/zinc/48/62/32/656486232.db2.gz VWMNNOUZOKZAJJ-ZJUUUORDSA-N 0 3 296.371 -1.223 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1NCC(N)=O ZINC000995994081 656486326 /nfs/dbraw/zinc/48/63/26/656486326.db2.gz ORPGXODIJDWHQJ-ZJUUUORDSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)c2nnn(C)n2)CC1(C)C)C(N)=O ZINC000996155557 656486558 /nfs/dbraw/zinc/48/65/58/656486558.db2.gz VNEYYIBIBWVTBE-HTQZYQBOSA-N 0 3 295.347 -1.476 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000995933502 656486614 /nfs/dbraw/zinc/48/66/14/656486614.db2.gz LOYMOLVXLLSLOZ-QMMMGPOBSA-N 0 3 284.360 -1.190 20 0 CAADHN CC1(C)CN(C(=O)C(N)=O)C[C@H]1N[C@@H]1CCCNC1=O ZINC000996229533 656487288 /nfs/dbraw/zinc/48/72/88/656487288.db2.gz NZJALYGQBCAKBL-RKDXNWHRSA-N 0 3 282.344 -1.423 20 0 CAADHN CN1CCC[C@@H](N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O ZINC000996232381 656487300 /nfs/dbraw/zinc/48/73/00/656487300.db2.gz WXDDCBVIXCIHFL-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN CCN1CC[C@H](N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O ZINC000996224196 656487388 /nfs/dbraw/zinc/48/73/88/656487388.db2.gz AJBBRJYOSBRDIA-UWVGGRQHSA-N 0 3 296.371 -1.081 20 0 CAADHN CC1(C)CN(C(=O)C(N)=O)C[C@H]1N[C@@H]1CCC(=O)NC1=O ZINC000996232751 656487398 /nfs/dbraw/zinc/48/73/98/656487398.db2.gz YDHQUKZVUSYCGF-HTQZYQBOSA-N 0 3 296.327 -1.897 20 0 CAADHN CC1(C)CN(C(=O)C(N)=O)C[C@@H]1N[C@H]1CCNC1=O ZINC000996230816 656487498 /nfs/dbraw/zinc/48/74/98/656487498.db2.gz QUTCVBKLZGWJML-YUMQZZPRSA-N 0 3 268.317 -1.813 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996162446 656487667 /nfs/dbraw/zinc/48/76/67/656487667.db2.gz PXPPAOULMMYPPJ-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN CC1(C)CN(C(=O)C(N)=O)C[C@H]1N[C@H]1CCC(=O)NC1=O ZINC000996232754 656487788 /nfs/dbraw/zinc/48/77/88/656487788.db2.gz YDHQUKZVUSYCGF-JGVFFNPUSA-N 0 3 296.327 -1.897 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1NCC(N)=O ZINC000996216996 656487826 /nfs/dbraw/zinc/48/78/26/656487826.db2.gz YNRSMESNVOBBDO-JGVFFNPUSA-N 0 3 283.332 -2.020 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1NCC(N)=O ZINC000996216988 656487909 /nfs/dbraw/zinc/48/79/09/656487909.db2.gz YNRSMESNVOBBDO-HTQZYQBOSA-N 0 3 283.332 -2.020 20 0 CAADHN CN1CC[C@@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)C1=O ZINC000996175058 656487917 /nfs/dbraw/zinc/48/79/17/656487917.db2.gz CVMHZCDOUGQMHI-NXEZZACHSA-N 0 3 296.371 -1.223 20 0 CAADHN CC1(C)C(=O)NC(=O)N1CC(=O)N[C@H]1CCN(CCO)C1 ZINC001015947090 656487946 /nfs/dbraw/zinc/48/79/46/656487946.db2.gz IRNWBQSFKMHSFL-VIFPVBQESA-N 0 3 298.343 -1.500 20 0 CAADHN CC1(C)CN(C(=O)C(N)=O)C[C@@H]1N[C@@H]1CCC(=O)NC1=O ZINC000996232757 656488091 /nfs/dbraw/zinc/48/80/91/656488091.db2.gz YDHQUKZVUSYCGF-SFYZADRCSA-N 0 3 296.327 -1.897 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015950966 656488788 /nfs/dbraw/zinc/48/87/88/656488788.db2.gz IMJRISLWJRSBMK-VHSXEESVSA-N 0 3 298.343 -1.500 20 0 CAADHN CN1CC[C@H](N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O ZINC000996235371 656488852 /nfs/dbraw/zinc/48/88/52/656488852.db2.gz FPPJPUGTWPCGID-IUCAKERBSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H](N[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC1(C)C)C(N)=O ZINC000996243271 656488946 /nfs/dbraw/zinc/48/89/46/656488946.db2.gz WDWZCGGOOLAHOT-BDAKNGLRSA-N 0 3 296.371 -1.048 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015950962 656488990 /nfs/dbraw/zinc/48/89/90/656488990.db2.gz IJEWUWPQTBIDPP-JTQLQIEISA-N 0 3 298.343 -1.235 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015950965 656489113 /nfs/dbraw/zinc/48/91/13/656489113.db2.gz IMJRISLWJRSBMK-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O ZINC000996235372 656489182 /nfs/dbraw/zinc/48/91/82/656489182.db2.gz FPPJPUGTWPCGID-RKDXNWHRSA-N 0 3 282.344 -1.471 20 0 CAADHN CC[C@@H](N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C)C(N)=O ZINC000996241303 656489197 /nfs/dbraw/zinc/48/91/97/656489197.db2.gz SWMHKGIECALJQL-HTQZYQBOSA-N 0 3 270.333 -1.438 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015950964 656489539 /nfs/dbraw/zinc/48/95/39/656489539.db2.gz IMJRISLWJRSBMK-NXEZZACHSA-N 0 3 298.343 -1.500 20 0 CAADHN CC1(C)CN(C(=O)[C@@]2(C)CCNC2=O)C[C@@H]1NCC(N)=O ZINC000996291930 656489565 /nfs/dbraw/zinc/48/95/65/656489565.db2.gz OEOGRBBGBUGWQG-XPTSAGLGSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)c2nc[nH]n2)C[C@H]1NCC(N)=O ZINC000996426707 656490313 /nfs/dbraw/zinc/49/03/13/656490313.db2.gz IKEJOVZJZVCRRH-SSDOTTSWSA-N 0 3 266.305 -1.270 20 0 CAADHN CC1(C)CN(C(=O)c2nc[n-]n2)C[C@H]1[NH2+]CC(N)=O ZINC000996426707 656490316 /nfs/dbraw/zinc/49/03/16/656490316.db2.gz IKEJOVZJZVCRRH-SSDOTTSWSA-N 0 3 266.305 -1.270 20 0 CAADHN Cn1ncc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)n1 ZINC000996408203 656490833 /nfs/dbraw/zinc/49/08/33/656490833.db2.gz SHQKCZDVQDLLAD-VIFPVBQESA-N 0 3 280.332 -1.259 20 0 CAADHN CC1(C)CN(C(=O)CCn2cnnn2)C[C@@H]1NCC(N)=O ZINC000996450294 656490922 /nfs/dbraw/zinc/49/09/22/656490922.db2.gz VFEUEBWVXQHQKZ-VIFPVBQESA-N 0 3 295.347 -1.625 20 0 CAADHN CC1(C)CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@@H]1NCC(N)=O ZINC000996411728 656491226 /nfs/dbraw/zinc/49/12/26/656491226.db2.gz OJXUUEBMQRTALD-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](N[C@H]1CN(C(=O)Cn2cncn2)CC1(C)C)C(N)=O ZINC000996589873 656491923 /nfs/dbraw/zinc/49/19/23/656491923.db2.gz UNRSTUFXVIDKGW-ZJUUUORDSA-N 0 3 294.359 -1.022 20 0 CAADHN C[C@H](N[C@H]1CN(C(=O)Cn2cncn2)CC1(C)C)C(N)=O ZINC000996589868 656492496 /nfs/dbraw/zinc/49/24/96/656492496.db2.gz UNRSTUFXVIDKGW-UWVGGRQHSA-N 0 3 294.359 -1.022 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)Cn2cncn2)CC1(C)C)C(N)=O ZINC000996589871 656492606 /nfs/dbraw/zinc/49/26/06/656492606.db2.gz UNRSTUFXVIDKGW-VHSXEESVSA-N 0 3 294.359 -1.022 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(N)=O ZINC001032314407 656493199 /nfs/dbraw/zinc/49/31/99/656493199.db2.gz XLGMRZAGFORUEH-GARJFASQSA-N 0 3 266.345 -1.149 20 0 CAADHN C[C@@H]([NH2+]C1CCN(C(=O)c2cn[n-]n2)CC1)C(N)=O ZINC000996752200 656494430 /nfs/dbraw/zinc/49/44/30/656494430.db2.gz NUBIQKIPSHXQRE-SSDOTTSWSA-N 0 3 266.305 -1.127 20 0 CAADHN O=C(c1cn[n-]n1)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000996757040 656494884 /nfs/dbraw/zinc/49/48/84/656494884.db2.gz RBRKPNUYNSKXPW-SECBINFHSA-N 0 3 278.316 -1.113 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1)N(C)C ZINC000997112074 656500452 /nfs/dbraw/zinc/50/04/52/656500452.db2.gz YNTQPZRNXJXBEW-QWRGUYRKSA-N 0 3 296.371 -1.068 20 0 CAADHN CN1C(=O)CN(CC(=O)N[C@@H]2CCN(CCCO)C2)C1=O ZINC001015988401 656503984 /nfs/dbraw/zinc/50/39/84/656503984.db2.gz XDCQLDOCHFLGNM-SNVBAGLBSA-N 0 3 298.343 -1.547 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997408093 656509199 /nfs/dbraw/zinc/50/91/99/656509199.db2.gz FUDJRGCTHZYFFH-MNOVXSKESA-N 0 3 294.355 -1.456 20 0 CAADHN O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2CCNC2=O)C1 ZINC000997425658 656510773 /nfs/dbraw/zinc/51/07/73/656510773.db2.gz JKWKFXUPHGAFCP-LLVKDONJSA-N 0 3 294.355 -1.455 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1)N(C)C ZINC000997420805 656510896 /nfs/dbraw/zinc/51/08/96/656510896.db2.gz MYWOZBIVPZGNCO-WDEREUQCSA-N 0 3 296.371 -1.210 20 0 CAADHN Cc1cncn1CC(=O)N1CC(NC(=O)c2ncn[nH]2)C1 ZINC000997817866 656518342 /nfs/dbraw/zinc/51/83/42/656518342.db2.gz SFTHDDJILLTGPU-UHFFFAOYSA-N 0 3 289.299 -1.050 20 0 CAADHN Cc1cncn1CC(=O)N1CC(NC(=O)c2nc[nH]n2)C1 ZINC000997817866 656518347 /nfs/dbraw/zinc/51/83/47/656518347.db2.gz SFTHDDJILLTGPU-UHFFFAOYSA-N 0 3 289.299 -1.050 20 0 CAADHN Cn1nnc(C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC000997866102 656521166 /nfs/dbraw/zinc/52/11/66/656521166.db2.gz ZFCUHBJKBVCQLM-VIFPVBQESA-N 0 3 293.331 -1.755 20 0 CAADHN NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](NCCO)C1 ZINC000998283708 656530228 /nfs/dbraw/zinc/53/02/28/656530228.db2.gz DVGOOUHUXPOWGR-NKWVEPMBSA-N 0 3 283.250 -1.167 20 0 CAADHN CC(=O)N1CCC[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC000998311590 656531402 /nfs/dbraw/zinc/53/14/02/656531402.db2.gz JDQBZTIAXRFQEQ-NSHDSACASA-N 0 3 282.344 -1.455 20 0 CAADHN CCC(=O)N1CCC[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC000998317427 656532846 /nfs/dbraw/zinc/53/28/46/656532846.db2.gz QGKKQYMNFNGKMU-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CC(=O)N1CCC[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC000998311588 656532869 /nfs/dbraw/zinc/53/28/69/656532869.db2.gz JDQBZTIAXRFQEQ-LLVKDONJSA-N 0 3 282.344 -1.455 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CN2CCCC2=O)C1 ZINC000998510156 656533801 /nfs/dbraw/zinc/53/38/01/656533801.db2.gz STIVMKWISHYAPK-SNVBAGLBSA-N 0 3 282.344 -1.325 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC000998465110 656534409 /nfs/dbraw/zinc/53/44/09/656534409.db2.gz ROFREBGPMHALHC-SECBINFHSA-N 0 3 269.301 -1.060 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CN2CCCC2=O)C1 ZINC000998510152 656534743 /nfs/dbraw/zinc/53/47/43/656534743.db2.gz STIVMKWISHYAPK-JTQLQIEISA-N 0 3 282.344 -1.325 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)Cn2cnnn2)C1)C(N)=O ZINC000998490687 656535241 /nfs/dbraw/zinc/53/52/41/656535241.db2.gz RTFZIVOJYZSBHH-BDAKNGLRSA-N 0 3 281.320 -1.873 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000998489465 656535370 /nfs/dbraw/zinc/53/53/70/656535370.db2.gz MONYKLZBQBRYOT-MRVPVSSYSA-N 0 3 267.293 -2.261 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1)C(N)=O ZINC000998490697 656535422 /nfs/dbraw/zinc/53/54/22/656535422.db2.gz RTFZIVOJYZSBHH-RKDXNWHRSA-N 0 3 281.320 -1.873 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC000998565914 656536062 /nfs/dbraw/zinc/53/60/62/656536062.db2.gz GLFSASDMPNFBNO-SNVBAGLBSA-N 0 3 280.332 -1.266 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC000998610388 656536147 /nfs/dbraw/zinc/53/61/47/656536147.db2.gz MYUPFWPPHPDKKA-ZJUUUORDSA-N 0 3 271.317 -1.532 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC000998536041 656536915 /nfs/dbraw/zinc/53/69/15/656536915.db2.gz BVXNLUFDHBWEAX-SNVBAGLBSA-N 0 3 265.317 -1.051 20 0 CAADHN O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC000998676829 656541882 /nfs/dbraw/zinc/54/18/82/656541882.db2.gz HWFSKHFIJNNEHE-JTQLQIEISA-N 0 3 295.343 -1.909 20 0 CAADHN CC(C)[C@@H](C(=O)N1CC(NC(=O)C(N)=O)C1)N(C)C ZINC000998704851 656545301 /nfs/dbraw/zinc/54/53/01/656545301.db2.gz PACQYOKTYJRWQY-VIFPVBQESA-N 0 3 270.333 -1.615 20 0 CAADHN CN(C)C1(C(=O)N2CC(NC(=O)C(N)=O)C2)CCC1 ZINC000998714101 656547969 /nfs/dbraw/zinc/54/79/69/656547969.db2.gz DTZDMZYPTAITEI-UHFFFAOYSA-N 0 3 268.317 -1.717 20 0 CAADHN CN(C)[C@@H](C(=O)N1CC(NC(=O)C(N)=O)C1)C1CC1 ZINC000998716228 656553613 /nfs/dbraw/zinc/55/36/13/656553613.db2.gz YZEGEVRJUOOENF-SECBINFHSA-N 0 3 268.317 -1.861 20 0 CAADHN CN(C)[C@H](C(=O)N1CC(NC(=O)C(N)=O)C1)C1CC1 ZINC000998716230 656554512 /nfs/dbraw/zinc/55/45/12/656554512.db2.gz YZEGEVRJUOOENF-VIFPVBQESA-N 0 3 268.317 -1.861 20 0 CAADHN NC(=O)C(=O)NC1CN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000998723732 656555754 /nfs/dbraw/zinc/55/57/54/656555754.db2.gz VIAIZXPEQXACTR-NXEZZACHSA-N 0 3 296.327 -2.338 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@@H](NCC(=O)N2CCC2)C1 ZINC000998777361 656560131 /nfs/dbraw/zinc/56/01/31/656560131.db2.gz SXIGYQSLHUCBDK-SNVBAGLBSA-N 0 3 282.344 -1.325 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC000998736267 656560799 /nfs/dbraw/zinc/56/07/99/656560799.db2.gz MWNSCMPOKLUKCS-RKDXNWHRSA-N 0 3 268.317 -1.669 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC000998767087 656561423 /nfs/dbraw/zinc/56/14/23/656561423.db2.gz XTEYGUPUUODZNJ-MRVPVSSYSA-N 0 3 278.316 -1.262 20 0 CAADHN Cc1c(C(=O)N2CCC[C@@H](NCC(N)=O)C2)nnn1C ZINC000998809677 656562035 /nfs/dbraw/zinc/56/20/35/656562035.db2.gz YQULSYKJSLBNTP-SECBINFHSA-N 0 3 280.332 -1.197 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC000998782375 656562167 /nfs/dbraw/zinc/56/21/67/656562167.db2.gz VFBUVZVBUMZESW-DTWKUNHWSA-N 0 3 268.317 -1.669 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)CC(N)=O)C1)C(N)=O ZINC000998781071 656562211 /nfs/dbraw/zinc/56/22/11/656562211.db2.gz OSFBBMUJFGAIFV-SFYZADRCSA-N 0 3 256.306 -1.684 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000998916237 656563203 /nfs/dbraw/zinc/56/32/03/656563203.db2.gz OFQWDBLOHZTLNU-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC000998916240 656563239 /nfs/dbraw/zinc/56/32/39/656563239.db2.gz OFQWDBLOHZTLNU-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN CN(C(=O)C1CS(=O)(=O)C1)C1CC(NCC(N)=O)C1 ZINC000998816513 656563410 /nfs/dbraw/zinc/56/34/10/656563410.db2.gz CMFRQQYSKOYUIP-UHFFFAOYSA-N 0 3 289.357 -1.905 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC000998916239 656563587 /nfs/dbraw/zinc/56/35/87/656563587.db2.gz OFQWDBLOHZTLNU-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC000998782377 656563690 /nfs/dbraw/zinc/56/36/90/656563690.db2.gz VFBUVZVBUMZESW-IUCAKERBSA-N 0 3 268.317 -1.669 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000998935686 656564412 /nfs/dbraw/zinc/56/44/12/656564412.db2.gz JHAFPJYQEHBLFC-NSHDSACASA-N 0 3 284.360 -1.616 20 0 CAADHN C[C@@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)n1cncn1 ZINC000998966276 656564887 /nfs/dbraw/zinc/56/48/87/656564887.db2.gz VIRRQOUFZJQRLL-VHSXEESVSA-N 0 3 280.332 -1.095 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC000999027560 656564943 /nfs/dbraw/zinc/56/49/43/656564943.db2.gz SJZCUBDDQRXKJL-NSHDSACASA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1)C(N)=O ZINC000998976851 656565026 /nfs/dbraw/zinc/56/50/26/656565026.db2.gz SGVDOSDNLQHUJX-RKDXNWHRSA-N 0 3 296.331 -1.562 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCC[C@@H](N[C@H](C)C(N)=O)C2)C1 ZINC000999019881 656565127 /nfs/dbraw/zinc/56/51/27/656565127.db2.gz GPNZXIMVYAVCOO-BXKDBHETSA-N 0 3 296.371 -1.081 20 0 CAADHN CN1CCOC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000998967269 656565538 /nfs/dbraw/zinc/56/55/38/656565538.db2.gz ZISZCHWPLWKDTF-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@H](NCC(N)=O)C2)nn1 ZINC000999083837 656565978 /nfs/dbraw/zinc/56/59/78/656565978.db2.gz ONIPWUMZHHGJOJ-QMMMGPOBSA-N 0 3 266.305 -1.505 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999076285 656566528 /nfs/dbraw/zinc/56/65/28/656566528.db2.gz YMRWEWNXAJZWFU-QMMMGPOBSA-N 0 3 266.305 -1.505 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC000999147160 656566884 /nfs/dbraw/zinc/56/68/84/656566884.db2.gz BOIVOHZQZMIXTB-GHMZBOCLSA-N 0 3 285.344 -1.142 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1)C(N)=O ZINC000999091251 656567082 /nfs/dbraw/zinc/56/70/82/656567082.db2.gz YZIPRXXJGCVELV-DTWKUNHWSA-N 0 3 280.332 -1.117 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)n1 ZINC000999086103 656567305 /nfs/dbraw/zinc/56/73/05/656567305.db2.gz ZTBUVOMXNITQSV-VHSXEESVSA-N 0 3 292.343 -1.102 20 0 CAADHN CCn1nncc1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999107491 656567402 /nfs/dbraw/zinc/56/74/02/656567402.db2.gz OVYATCCDQNEJAC-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000999075549 656567549 /nfs/dbraw/zinc/56/75/49/656567549.db2.gz WOVHHCJZLSRIDF-NXEZZACHSA-N 0 3 292.343 -1.102 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC000999186930 656569136 /nfs/dbraw/zinc/56/91/36/656569136.db2.gz QLASHBVQVFHBIB-OUAUKWLOSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000999242573 656570489 /nfs/dbraw/zinc/57/04/89/656570489.db2.gz RIWQANICCJYTDB-VIFPVBQESA-N 0 3 289.357 -1.903 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC000999256152 656572280 /nfs/dbraw/zinc/57/22/80/656572280.db2.gz IUBUJSAGHKGEPK-SECBINFHSA-N 0 3 266.305 -1.656 20 0 CAADHN O=C(Cn1nccn1)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000999259318 656572305 /nfs/dbraw/zinc/57/23/05/656572305.db2.gz XDGFRUBFUASEKS-GHMZBOCLSA-N 0 3 292.343 -1.253 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)Cn2nccn2)C1)C(N)=O ZINC000999261673 656572522 /nfs/dbraw/zinc/57/25/22/656572522.db2.gz IWVDVNPMCOSRTF-ZJUUUORDSA-N 0 3 280.332 -1.268 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC000999339044 656572615 /nfs/dbraw/zinc/57/26/15/656572615.db2.gz KDKFACOWOZKARY-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1=O ZINC000999299912 656572750 /nfs/dbraw/zinc/57/27/50/656572750.db2.gz WAAKRNTXBFSYEB-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN O=C(Cn1nccn1)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000999259319 656572848 /nfs/dbraw/zinc/57/28/48/656572848.db2.gz XDGFRUBFUASEKS-MNOVXSKESA-N 0 3 292.343 -1.253 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)Cn2nccn2)C1)C(N)=O ZINC000999261668 656573486 /nfs/dbraw/zinc/57/34/86/656573486.db2.gz IWVDVNPMCOSRTF-UWVGGRQHSA-N 0 3 280.332 -1.268 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC000999339013 656573502 /nfs/dbraw/zinc/57/35/02/656573502.db2.gz KDKFACOWOZKARY-GHMZBOCLSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000999343328 656574936 /nfs/dbraw/zinc/57/49/36/656574936.db2.gz RYXUMZIBKIMDKM-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000999343843 656575032 /nfs/dbraw/zinc/57/50/32/656575032.db2.gz RYXUMZIBKIMDKM-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC000999343318 656575122 /nfs/dbraw/zinc/57/51/22/656575122.db2.gz RYXUMZIBKIMDKM-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC000999457046 656576213 /nfs/dbraw/zinc/57/62/13/656576213.db2.gz MKGNITPEERGHBF-MRVPVSSYSA-N 0 3 279.300 -1.138 20 0 CAADHN CN1CC[C@@H](CC(=O)N2CCC[C@H](NCC(N)=O)C2)C1=O ZINC000999454914 656576310 /nfs/dbraw/zinc/57/63/10/656576310.db2.gz GYUGNELQHDSQGV-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CN1CC[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1=O ZINC000999532810 656576755 /nfs/dbraw/zinc/57/67/55/656576755.db2.gz SYDBNJYERKQTFL-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](C(=O)N1CCC[C@@H](NCC(N)=O)C1)S(C)(=O)=O ZINC000999512985 656576871 /nfs/dbraw/zinc/57/68/71/656576871.db2.gz AUFNWVFKYIMJQI-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999414115 656576885 /nfs/dbraw/zinc/57/68/85/656576885.db2.gz LMJJFDULWZWCAR-MRVPVSSYSA-N 0 3 270.333 -1.436 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000999425024 656577921 /nfs/dbraw/zinc/57/79/21/656577921.db2.gz SMEIIEBWIWSNBA-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC000999443408 656577243 /nfs/dbraw/zinc/57/72/43/656577243.db2.gz VYPBXHGSYSCWDR-SECBINFHSA-N 0 3 279.300 -1.138 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000999449132 656577474 /nfs/dbraw/zinc/57/74/74/656577474.db2.gz MTOKWRMDDOTXQI-VHSXEESVSA-N 0 3 282.344 -1.279 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000999419621 656577724 /nfs/dbraw/zinc/57/77/24/656577724.db2.gz FBIQCGLQDSCQMP-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000999425029 656577828 /nfs/dbraw/zinc/57/78/28/656577828.db2.gz SMEIIEBWIWSNBA-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC000999419039 656578195 /nfs/dbraw/zinc/57/81/95/656578195.db2.gz FBIQCGLQDSCQMP-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999556060 656579132 /nfs/dbraw/zinc/57/91/32/656579132.db2.gz JTDPLYRNNMEIPL-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN Cn1cnn(CC(=O)N2CCC[C@@H](NCC(N)=O)C2)c1=O ZINC000999543004 656579445 /nfs/dbraw/zinc/57/94/45/656579445.db2.gz RZZXMYVBPUQVAJ-SECBINFHSA-N 0 3 296.331 -2.352 20 0 CAADHN CN(C(=O)c1nc[n-]n1)C1CC([NH2+]CC(N)=O)C1 ZINC000999574202 656580028 /nfs/dbraw/zinc/58/00/28/656580028.db2.gz TYAAHNAMGGIFQL-UHFFFAOYSA-N 0 3 252.278 -1.517 20 0 CAADHN CCn1cc(CC(=O)N2CCC[C@@H](NCC(N)=O)C2)nn1 ZINC000999769295 656582573 /nfs/dbraw/zinc/58/25/73/656582573.db2.gz COGLLUHEGWHWNJ-SNVBAGLBSA-N 0 3 294.359 -1.094 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000999850911 656583895 /nfs/dbraw/zinc/58/38/95/656583895.db2.gz BUSBSUMURTYXMV-MRVPVSSYSA-N 0 3 268.317 -1.717 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CNC(=O)C1 ZINC000999783419 656583911 /nfs/dbraw/zinc/58/39/11/656583911.db2.gz JGLJLZJDVFLBGD-ZANVPECISA-N 0 3 282.344 -1.422 20 0 CAADHN Cn1c(C(=O)N2CCC[C@@H](NCC(N)=O)C2)c[nH]c1=O ZINC000999892072 656584071 /nfs/dbraw/zinc/58/40/71/656584071.db2.gz XHXICLIPEPKHKC-MRVPVSSYSA-N 0 3 281.316 -1.195 20 0 CAADHN C[C@]1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CNC(=O)C1 ZINC000999783405 656584270 /nfs/dbraw/zinc/58/42/70/656584270.db2.gz JGLJLZJDVFLBGD-NOZJJQNGSA-N 0 3 282.344 -1.422 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC000999872070 656584952 /nfs/dbraw/zinc/58/49/52/656584952.db2.gz NXHOEJWWHOTZAA-VPOLOUISSA-N 0 3 294.355 -1.186 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC000999892681 656585103 /nfs/dbraw/zinc/58/51/03/656585103.db2.gz FHHVDDKXCJWISV-BDAKNGLRSA-N 0 3 268.317 -1.812 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC000999892684 656586591 /nfs/dbraw/zinc/58/65/91/656586591.db2.gz FHHVDDKXCJWISV-RKDXNWHRSA-N 0 3 268.317 -1.812 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1)N(C)C ZINC000999916667 656587158 /nfs/dbraw/zinc/58/71/58/656587158.db2.gz ISPBQDFANYJCLW-OUAUKWLOSA-N 0 3 296.371 -1.225 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000999920884 656588146 /nfs/dbraw/zinc/58/81/46/656588146.db2.gz WNISNHXGBXREHN-OUAUKWLOSA-N 0 3 294.355 -1.471 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)c2nnn(C)n2)C1)C(N)=O ZINC000999919371 656588553 /nfs/dbraw/zinc/58/85/53/656588553.db2.gz CXUIJXMULCMZEN-YUMQZZPRSA-N 0 3 281.320 -1.722 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CN2CCNC(=O)C2)C1 ZINC000999884152 656588786 /nfs/dbraw/zinc/58/87/86/656588786.db2.gz SHCWBTYUEGEHDZ-JTQLQIEISA-N 0 3 297.359 -2.516 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)n1 ZINC000999924787 656589895 /nfs/dbraw/zinc/58/98/95/656589895.db2.gz ZDZWVKQONPSAEZ-RKDXNWHRSA-N 0 3 293.331 -1.707 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCC(=O)NC1 ZINC000999970632 656590111 /nfs/dbraw/zinc/59/01/11/656590111.db2.gz RUHTWZGPIXYJNO-QMTHXVAHSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@]1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CCC(=O)NC1 ZINC000999970628 656590608 /nfs/dbraw/zinc/59/06/08/656590608.db2.gz RUHTWZGPIXYJNO-HZMBPMFUSA-N 0 3 296.371 -1.031 20 0 CAADHN CN1CC[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1=O ZINC000999945348 656590836 /nfs/dbraw/zinc/59/08/36/656590836.db2.gz CJLSFACEEGEJGP-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1)C(N)=O ZINC001000052714 656591360 /nfs/dbraw/zinc/59/13/60/656591360.db2.gz MPBWCFDTIKBDKL-DTWKUNHWSA-N 0 3 282.344 -1.294 20 0 CAADHN CN1CCC[C@@H](N[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000053751 656591515 /nfs/dbraw/zinc/59/15/15/656591515.db2.gz WTIBUPVUYJFLNP-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001000047888 656591571 /nfs/dbraw/zinc/59/15/71/656591571.db2.gz ISVRCEPTTATWCA-SFYZADRCSA-N 0 3 269.305 -2.266 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000060103 656591693 /nfs/dbraw/zinc/59/16/93/656591693.db2.gz FFKLTEIPPNSPQF-RKDXNWHRSA-N 0 3 268.317 -1.717 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000060099 656591805 /nfs/dbraw/zinc/59/18/05/656591805.db2.gz FFKLTEIPPNSPQF-DTWKUNHWSA-N 0 3 268.317 -1.717 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001000053059 656592001 /nfs/dbraw/zinc/59/20/01/656592001.db2.gz OVKOQJHKWNYXQP-BDAKNGLRSA-N 0 3 268.317 -1.669 20 0 CAADHN CCN1CC[C@H](N[C@@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000053159 656592214 /nfs/dbraw/zinc/59/22/14/656592214.db2.gz PPUSJRDQJQHMAU-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001000047883 656592462 /nfs/dbraw/zinc/59/24/62/656592462.db2.gz ISVRCEPTTATWCA-JGVFFNPUSA-N 0 3 269.305 -2.266 20 0 CAADHN Cn1cc(OCC(=O)N2CCC[C@@H](NCC(N)=O)C2)cn1 ZINC001000014503 656592627 /nfs/dbraw/zinc/59/26/27/656592627.db2.gz KTDJWHLHRYYXBY-SNVBAGLBSA-N 0 3 295.343 -1.135 20 0 CAADHN CCN1CC[C@@H](N[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000053158 656592937 /nfs/dbraw/zinc/59/29/37/656592937.db2.gz PPUSJRDQJQHMAU-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001000051685 656593007 /nfs/dbraw/zinc/59/30/07/656593007.db2.gz IABXHKZEEYWQGK-HTQZYQBOSA-N 0 3 282.300 -2.143 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)Cn2cncn2)C1 ZINC001000102424 656593667 /nfs/dbraw/zinc/59/36/67/656593667.db2.gz NSZPYYRABJOZJF-LLVKDONJSA-N 0 3 292.343 -1.301 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001000059634 656593895 /nfs/dbraw/zinc/59/38/95/656593895.db2.gz XEAAAUBLUAKUNG-SFYZADRCSA-N 0 3 254.290 -2.059 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001000028077 656594203 /nfs/dbraw/zinc/59/42/03/656594203.db2.gz RZUPSANPZJICAS-QMMMGPOBSA-N 0 3 279.300 -1.551 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001000059351 656594460 /nfs/dbraw/zinc/59/44/60/656594460.db2.gz VRYTXXOUUDAZLH-VIFPVBQESA-N 0 3 268.317 -1.715 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H](NCC(=O)N2CCCC2)C1 ZINC001000058173 656594879 /nfs/dbraw/zinc/59/48/79/656594879.db2.gz QFEXLNVMVDSYAW-JTQLQIEISA-N 0 3 282.344 -1.325 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001000059632 656595407 /nfs/dbraw/zinc/59/54/07/656595407.db2.gz XEAAAUBLUAKUNG-JGVFFNPUSA-N 0 3 254.290 -2.059 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001000028075 656595712 /nfs/dbraw/zinc/59/57/12/656595712.db2.gz RZUPSANPZJICAS-MRVPVSSYSA-N 0 3 279.300 -1.551 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)[nH]c1=O ZINC001000095868 656596248 /nfs/dbraw/zinc/59/62/48/656596248.db2.gz WNYIUAOZBIHHBS-MRVPVSSYSA-N 0 3 281.316 -1.195 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001000066254 656596637 /nfs/dbraw/zinc/59/66/37/656596637.db2.gz SQAYGQYWEWVGSD-QMMMGPOBSA-N 0 3 268.317 -1.682 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)Cn2cncn2)C1)N(C)C ZINC001000112656 656596728 /nfs/dbraw/zinc/59/67/28/656596728.db2.gz XKPLKFCYWWCKPI-LLVKDONJSA-N 0 3 294.359 -1.055 20 0 CAADHN CC[C@H](N[C@@H]1CCCN(C(=O)C(N)=O)C1)C(N)=O ZINC001000066191 656597360 /nfs/dbraw/zinc/59/73/60/656597360.db2.gz VZDXQCAUWNBLQV-SFYZADRCSA-N 0 3 256.306 -1.684 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)Cn2cncn2)C1)N(C)C ZINC001000112660 656597636 /nfs/dbraw/zinc/59/76/36/656597636.db2.gz XKPLKFCYWWCKPI-NSHDSACASA-N 0 3 294.359 -1.055 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CCC(=O)N1 ZINC001000104478 656598235 /nfs/dbraw/zinc/59/82/35/656598235.db2.gz LUNCHXNMFXNOLR-ZANVPECISA-N 0 3 282.344 -1.279 20 0 CAADHN O=C(Cn1cncn1)NC1CN(C(=O)CN2CCCC2)C1 ZINC001000114471 656598549 /nfs/dbraw/zinc/59/85/49/656598549.db2.gz BTMQTSIOHZCGNW-UHFFFAOYSA-N 0 3 292.343 -1.299 20 0 CAADHN NC(=O)C1(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001000064498 656598709 /nfs/dbraw/zinc/59/87/09/656598709.db2.gz OUZCHESAYUFVAY-ZJUUUORDSA-N 0 3 294.355 -1.279 20 0 CAADHN C[C@]1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CCNC1=O ZINC001000168833 656599538 /nfs/dbraw/zinc/59/95/38/656599538.db2.gz IABASGHGSWILCZ-ZANVPECISA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCNC1=O ZINC001000168828 656600592 /nfs/dbraw/zinc/60/05/92/656600592.db2.gz IABASGHGSWILCZ-NOZJJQNGSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001000197820 656601632 /nfs/dbraw/zinc/60/16/32/656601632.db2.gz CXMFOZOHRKXHLD-YIZRAAEISA-N 0 3 268.317 -1.826 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200188 656604897 /nfs/dbraw/zinc/60/48/97/656604897.db2.gz SEDZOQLIVCRINB-DTWKUNHWSA-N 0 3 284.316 -1.891 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200191 656605004 /nfs/dbraw/zinc/60/50/04/656605004.db2.gz SEDZOQLIVCRINB-RKDXNWHRSA-N 0 3 284.316 -1.891 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001000329581 656605647 /nfs/dbraw/zinc/60/56/47/656605647.db2.gz OYDRNGSSBRADOA-YUMQZZPRSA-N 0 3 297.315 -2.350 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001016198914 656605993 /nfs/dbraw/zinc/60/59/93/656605993.db2.gz CRRAIYWCSCGIQS-NXEZZACHSA-N 0 3 298.343 -1.548 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001000492390 656606976 /nfs/dbraw/zinc/60/69/76/656606976.db2.gz YTBXAVNKBRQQNC-BDAKNGLRSA-N 0 3 278.316 -1.113 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001000450361 656607064 /nfs/dbraw/zinc/60/70/64/656607064.db2.gz GSRCCPODSTWSFY-SECBINFHSA-N 0 3 296.327 -1.895 20 0 CAADHN NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2nc[n-]n2)C1 ZINC001000490352 656607078 /nfs/dbraw/zinc/60/70/78/656607078.db2.gz NGXQBDAKMDIJGU-ZETCQYMHSA-N 0 3 252.278 -1.516 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)CCn2cnnn2)C1)C(N)=O ZINC001000534772 656609186 /nfs/dbraw/zinc/60/91/86/656609186.db2.gz YSPOVWPGJFVNNC-NXEZZACHSA-N 0 3 295.347 -1.482 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001000540093 656609242 /nfs/dbraw/zinc/60/92/42/656609242.db2.gz WTDNGSLTLOCKJZ-VIFPVBQESA-N 0 3 281.320 -1.871 20 0 CAADHN CCn1cc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)nn1 ZINC001000566834 656609416 /nfs/dbraw/zinc/60/94/16/656609416.db2.gz QOFAHTNYUIKRJI-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001000508146 656609964 /nfs/dbraw/zinc/60/99/64/656609964.db2.gz WLEULVSJNWIZFR-SSDOTTSWSA-N 0 3 253.262 -1.251 20 0 CAADHN O=C(NCC1=CCN(CCO)CC1)[C@H]1COC(=O)N1 ZINC001000629948 656611894 /nfs/dbraw/zinc/61/18/94/656611894.db2.gz ZSTJZVBHVDZNGG-SNVBAGLBSA-N 0 3 269.301 -1.165 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001000733162 656612038 /nfs/dbraw/zinc/61/20/38/656612038.db2.gz MWNSCMPOKLUKCS-BDAKNGLRSA-N 0 3 268.317 -1.669 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000797998 656613033 /nfs/dbraw/zinc/61/30/33/656613033.db2.gz UABSDZOAPLMDNF-RYUDHWBXSA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1nc(C(=O)N2CCC[C@H](NCC(N)=O)C2)ccc1=O ZINC001000851651 656613670 /nfs/dbraw/zinc/61/36/70/656613670.db2.gz ZVSBUDALOPINMX-VIFPVBQESA-N 0 3 293.327 -1.540 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001000938627 656613728 /nfs/dbraw/zinc/61/37/28/656613728.db2.gz PUACLRACRHYDEX-SECBINFHSA-N 0 3 293.327 -1.207 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001000863147 656613989 /nfs/dbraw/zinc/61/39/89/656613989.db2.gz QLDHPCNUOAWCNL-SECBINFHSA-N 0 3 266.305 -1.656 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)Cn2cncn2)C1)C(N)=O ZINC001000863741 656614050 /nfs/dbraw/zinc/61/40/50/656614050.db2.gz TYFXURPHTJWHND-VHSXEESVSA-N 0 3 280.332 -1.268 20 0 CAADHN O=C(Cn1cncn1)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001000859349 656614158 /nfs/dbraw/zinc/61/41/58/656614158.db2.gz AALPQFZLIUQACC-MNOVXSKESA-N 0 3 292.343 -1.253 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)Cn2cncn2)C1)C(N)=O ZINC001000863738 656614434 /nfs/dbraw/zinc/61/44/34/656614434.db2.gz TYFXURPHTJWHND-NXEZZACHSA-N 0 3 280.332 -1.268 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)n(C)c1=O ZINC001001026561 656614950 /nfs/dbraw/zinc/61/49/50/656614950.db2.gz UWKQTJJEWSBEPM-SECBINFHSA-N 0 3 295.343 -1.597 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000973830 656615061 /nfs/dbraw/zinc/61/50/61/656615061.db2.gz XDJFYLFBRTYWAQ-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN CN1C[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCC1=O ZINC001001015192 656615231 /nfs/dbraw/zinc/61/52/31/656615231.db2.gz OETBHIQQJRBMTG-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)Cn1cc(C(=O)N2CCC[C@H](NCCF)C2)nn1 ZINC001000998491 656615296 /nfs/dbraw/zinc/61/52/96/656615296.db2.gz DVUGQTCCYANXLA-VIFPVBQESA-N 0 3 298.322 -1.073 20 0 CAADHN CN1C[C@H](C(=O)NCC2=CCN(CCO)CC2)NC1=O ZINC001001041584 656615724 /nfs/dbraw/zinc/61/57/24/656615724.db2.gz VPMDRMWWUTYQKQ-LLVKDONJSA-N 0 3 282.344 -1.249 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)CCC1=O ZINC001001015194 656615885 /nfs/dbraw/zinc/61/58/85/656615885.db2.gz OETBHIQQJRBMTG-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001001094852 656617103 /nfs/dbraw/zinc/61/71/03/656617103.db2.gz JJJOUUFJUNAGOC-RKDXNWHRSA-N 0 3 296.327 -1.895 20 0 CAADHN O=C(NCC1=CCN(CCO)CC1)[C@@H]1CNC(=O)N1 ZINC001001104689 656617743 /nfs/dbraw/zinc/61/77/43/656617743.db2.gz HUTCMCCGUJDMIK-JTQLQIEISA-N 0 3 268.317 -1.592 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001001094837 656617904 /nfs/dbraw/zinc/61/79/04/656617904.db2.gz JJJOUUFJUNAGOC-DTWKUNHWSA-N 0 3 296.327 -1.895 20 0 CAADHN CC(C)N1CCC[C@@H]1C(=O)NCC1CN(C(=O)C(N)=O)C1 ZINC001001886013 656627465 /nfs/dbraw/zinc/62/74/65/656627465.db2.gz UTYHZYYAQACTAL-LLVKDONJSA-N 0 3 296.371 -1.081 20 0 CAADHN O=C(Cn1cnnn1)NC1CCN(CCO)CC1 ZINC001002308525 656628335 /nfs/dbraw/zinc/62/83/35/656628335.db2.gz SBTUZYTZTJHDLX-UHFFFAOYSA-N 0 3 254.294 -1.754 20 0 CAADHN CCCN1CCC[C@H]1C(=O)NCC1CN(C(=O)C(N)=O)C1 ZINC001002463018 656631082 /nfs/dbraw/zinc/63/10/82/656631082.db2.gz ZHSMMHUILFABFU-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN O=C(CN1CN=NC1=O)NC1CCN(CCO)CC1 ZINC001002641817 656631631 /nfs/dbraw/zinc/63/16/31/656631631.db2.gz JDZWPLGFQXYDNN-UHFFFAOYSA-N 0 3 269.305 -1.443 20 0 CAADHN COC[C@@H](C)N1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032827035 656631739 /nfs/dbraw/zinc/63/17/39/656631739.db2.gz UQGWARRSLYZFNW-UTLUCORTSA-N 0 3 298.343 -1.190 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NC1CCN(CCO)CC1 ZINC001002639056 656632083 /nfs/dbraw/zinc/63/20/83/656632083.db2.gz LNRFIVPNCNXPGG-GFCCVEGCSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831568 656634176 /nfs/dbraw/zinc/63/41/76/656634176.db2.gz AELLIMSTMALITQ-CIUDSAMLSA-N 0 3 284.316 -1.844 20 0 CAADHN NC(=O)c1ncn(CC(=O)NC2CCN(CCO)CC2)n1 ZINC001002863762 656634261 /nfs/dbraw/zinc/63/42/61/656634261.db2.gz XIMBEXNLZWXZLK-UHFFFAOYSA-N 0 3 296.331 -2.050 20 0 CAADHN O=C(N[C@@H]1COC(=O)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000923755080 656634429 /nfs/dbraw/zinc/63/44/29/656634429.db2.gz AUXXYCBOYGNFHO-LPEHRKFASA-N 0 3 269.301 -1.238 20 0 CAADHN CO[C@@H](C)CN1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831578 656634935 /nfs/dbraw/zinc/63/49/35/656634935.db2.gz HPSNUCQNPPDERD-GUBZILKMSA-N 0 3 298.343 -1.190 20 0 CAADHN O=C(Cn1ncnn1)NC1CCN(CCO)CC1 ZINC001002831554 656635748 /nfs/dbraw/zinc/63/57/48/656635748.db2.gz RBWJGGGRACCUOV-UHFFFAOYSA-N 0 3 254.294 -1.754 20 0 CAADHN O=C(Cn1nccn1)NC1CCN(CCO)CC1 ZINC001002913711 656637612 /nfs/dbraw/zinc/63/76/12/656637612.db2.gz NOHQCLKHKQMWGB-UHFFFAOYSA-N 0 3 253.306 -1.149 20 0 CAADHN CN(CCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)CCOCCO ZINC000922111018 656639134 /nfs/dbraw/zinc/63/91/34/656639134.db2.gz RCQXJHYTHVRFTF-GDNZZTSVSA-N 0 3 272.345 -1.064 20 0 CAADHN CN(CCNC(=O)[C@@]1(C)CCNC1=O)CCOCCO ZINC000922113714 656639244 /nfs/dbraw/zinc/63/92/44/656639244.db2.gz ZIGFQXPVEKBVKG-ZDUSSCGKSA-N 0 3 287.360 -1.431 20 0 CAADHN CN(CCNC(=O)c1cnn(C)n1)CCOCCO ZINC000922117709 656639373 /nfs/dbraw/zinc/63/93/73/656639373.db2.gz VGPVOIBZIXJQFL-UHFFFAOYSA-N 0 3 271.321 -1.514 20 0 CAADHN CN(CCNC(=O)[C@H]1C[C@@H](O)C1)CCOCCO ZINC000922109032 656639601 /nfs/dbraw/zinc/63/96/01/656639601.db2.gz BYFADYYJCBXJMM-PHIMTYICSA-N 0 3 260.334 -1.186 20 0 CAADHN C/C=C\[C@@H](O)C(=O)NCCN(C)CCOCCO ZINC000922111866 656639894 /nfs/dbraw/zinc/63/98/94/656639894.db2.gz NPEZZPPOXMEWGY-DLRQAJBASA-N 0 3 260.334 -1.020 20 0 CAADHN CN(CCNC(=O)C1(O)CCC1)CCOCCO ZINC000922116078 656640120 /nfs/dbraw/zinc/64/01/20/656640120.db2.gz CASMUKVWUFYMBN-UHFFFAOYSA-N 0 3 260.334 -1.042 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000922122765 656640856 /nfs/dbraw/zinc/64/08/56/656640856.db2.gz IQHXEIRLTGMSTR-BDAKNGLRSA-N 0 3 278.378 -1.073 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCN(C)CCOCCO ZINC000922123535 656641030 /nfs/dbraw/zinc/64/10/30/656641030.db2.gz XJNWJRLIVPAJNM-UHFFFAOYSA-N 0 3 289.376 -1.042 20 0 CAADHN CN(CCNC(=O)[C@H](O)C1CC1)CCOCCO ZINC000922113792 656641061 /nfs/dbraw/zinc/64/10/61/656641061.db2.gz PRFZEPMEFZIQKQ-LLVKDONJSA-N 0 3 260.334 -1.186 20 0 CAADHN CCn1nncc1C(=O)NCCN(C)CCOCCO ZINC000922116832 656641118 /nfs/dbraw/zinc/64/11/18/656641118.db2.gz WFVCUVQGSDEIIM-UHFFFAOYSA-N 0 3 285.348 -1.032 20 0 CAADHN CN(CCNC(=O)[C@]1(O)CCSC1)CCOCCO ZINC000922118456 656641651 /nfs/dbraw/zinc/64/16/51/656641651.db2.gz ZFEYCARTXWFUSN-LBPRGKRZSA-N 0 3 292.401 -1.089 20 0 CAADHN CN(CCNC(=O)[C@H]1COCCO1)CCOCCO ZINC000922123642 656641919 /nfs/dbraw/zinc/64/19/19/656641919.db2.gz NSLITSRLFGRRCQ-LLVKDONJSA-N 0 3 276.333 -1.541 20 0 CAADHN CN(CCNC(=O)[C@H]1CCN(C)C1=O)CCOCCO ZINC000922116529 656641939 /nfs/dbraw/zinc/64/19/39/656641939.db2.gz HSAMKQFLBANFRI-LLVKDONJSA-N 0 3 287.360 -1.478 20 0 CAADHN CN(CCNC(=O)[C@H]1CCCNC1=O)CCOCCO ZINC000922114274 656642085 /nfs/dbraw/zinc/64/20/85/656642085.db2.gz MUESVRXHGIWVOW-NSHDSACASA-N 0 3 287.360 -1.431 20 0 CAADHN CN(CCNC(=O)[C@@]1(O)CCSC1)CCOCCO ZINC000922118455 656642111 /nfs/dbraw/zinc/64/21/11/656642111.db2.gz ZFEYCARTXWFUSN-GFCCVEGCSA-N 0 3 292.401 -1.089 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NC1CCN(CCO)CC1 ZINC001003055370 656643884 /nfs/dbraw/zinc/64/38/84/656643884.db2.gz FYRCIUOEFVNXGE-VIFPVBQESA-N 0 3 284.316 -1.843 20 0 CAADHN CN1CCN(CC(=O)NC2CCN(CCO)CC2)CC1=O ZINC001003201324 656646465 /nfs/dbraw/zinc/64/64/65/656646465.db2.gz DIKGXCDXOTYKPN-UHFFFAOYSA-N 0 3 298.387 -1.667 20 0 CAADHN O=C(CN1CCCNC1=O)NC1CCN(CCO)CC1 ZINC001003243247 656647045 /nfs/dbraw/zinc/64/70/45/656647045.db2.gz WZPMFNSEAXGQON-UHFFFAOYSA-N 0 3 284.360 -1.025 20 0 CAADHN COC[C@@H](C)N1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032837099 656649752 /nfs/dbraw/zinc/64/97/52/656649752.db2.gz UQGWARRSLYZFNW-BBBLOLIVSA-N 0 3 298.343 -1.190 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@@H]1CCNC1=O ZINC001003431068 656651111 /nfs/dbraw/zinc/65/11/11/656651111.db2.gz CANGGSPAHFPDCX-SNVBAGLBSA-N 0 3 255.318 -1.305 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC1CCN(CCO)CC1 ZINC001003429581 656651729 /nfs/dbraw/zinc/65/17/29/656651729.db2.gz SDJLOMVKSZRNAT-UHFFFAOYSA-N 0 3 284.360 -2.009 20 0 CAADHN COC[C@@H](C)N1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841865 656651774 /nfs/dbraw/zinc/65/17/74/656651774.db2.gz JPMSSGYLGSDURK-BBBLOLIVSA-N 0 3 298.343 -1.190 20 0 CAADHN NC(=O)C(=O)NC1CCN(CCn2cncn2)CC1 ZINC001003539564 656655335 /nfs/dbraw/zinc/65/53/35/656655335.db2.gz KKLCQDZBUDDFTN-UHFFFAOYSA-N 0 3 266.305 -1.656 20 0 CAADHN NC(=O)C(=O)NC1CCN(CCN2CCNC2=O)CC1 ZINC001003540666 656656046 /nfs/dbraw/zinc/65/60/46/656656046.db2.gz XVJVCOOFURHLRS-UHFFFAOYSA-N 0 3 283.332 -1.923 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC2CCN(CCO)CC2)O1 ZINC001003614867 656659309 /nfs/dbraw/zinc/65/93/09/656659309.db2.gz HLEAHABPVWTLMW-WDEREUQCSA-N 0 3 285.344 -1.408 20 0 CAADHN O=C(Cc1cnc[nH]1)N1CC(CNC(=O)c2nc[nH]n2)C1 ZINC001003696468 656661699 /nfs/dbraw/zinc/66/16/99/656661699.db2.gz YAJPTPBSUUSPOC-UHFFFAOYSA-N 0 3 289.299 -1.041 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001003710345 656662192 /nfs/dbraw/zinc/66/21/92/656662192.db2.gz AACUQPYNOWTNDI-VIFPVBQESA-N 0 3 284.316 -1.843 20 0 CAADHN C[C@H](C(N)=O)N1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001003813760 656663870 /nfs/dbraw/zinc/66/38/70/656663870.db2.gz KTZJTAAUHOQVFP-SSDOTTSWSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@H](C(N)=O)N1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001003813760 656663876 /nfs/dbraw/zinc/66/38/76/656663876.db2.gz KTZJTAAUHOQVFP-SSDOTTSWSA-N 0 3 266.305 -1.127 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NC1CCN(CCO)CC1 ZINC001003802095 656663948 /nfs/dbraw/zinc/66/39/48/656663948.db2.gz NDMJSBKIZNSRPS-UHFFFAOYSA-N 0 3 284.316 -1.889 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032895724 656664756 /nfs/dbraw/zinc/66/47/56/656664756.db2.gz AXCQRHJXSMRPFP-NXEZZACHSA-N 0 3 268.321 -1.413 20 0 CAADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032895730 656665087 /nfs/dbraw/zinc/66/50/87/656665087.db2.gz AXCQRHJXSMRPFP-ZJUUUORDSA-N 0 3 268.321 -1.413 20 0 CAADHN CN(C(=O)Cn1cnnn1)[C@H]1CCN(CCCO)C1 ZINC001032894074 656665330 /nfs/dbraw/zinc/66/53/30/656665330.db2.gz UDOQGTWGIXKAKH-JTQLQIEISA-N 0 3 268.321 -1.412 20 0 CAADHN CN(C(=O)Cn1cnnn1)[C@H]1CCN(CCO)C1 ZINC001032891370 656665757 /nfs/dbraw/zinc/66/57/57/656665757.db2.gz CTZWIRUYKOLQFC-VIFPVBQESA-N 0 3 254.294 -1.802 20 0 CAADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032895726 656666634 /nfs/dbraw/zinc/66/66/34/656666634.db2.gz AXCQRHJXSMRPFP-UWVGGRQHSA-N 0 3 268.321 -1.413 20 0 CAADHN O=C(Cc1nnc[nH]1)NC1CCN([C@H]2CCNC2=O)CC1 ZINC001003930059 656668702 /nfs/dbraw/zinc/66/87/02/656668702.db2.gz HEHDCRVSAQNFGM-JTQLQIEISA-N 0 3 292.343 -1.184 20 0 CAADHN CN(C(=O)[C@H]1CN(C)CCO1)[C@@H]1CCN(CCO)C1 ZINC001032981368 656670248 /nfs/dbraw/zinc/67/02/48/656670248.db2.gz RKPLCSTWNDSMFJ-VXGBXAGGSA-N 0 3 271.361 -1.158 20 0 CAADHN CN(C(=O)[C@H]1CN(C)CCO1)[C@H]1CCN(CCO)C1 ZINC001032981366 656670386 /nfs/dbraw/zinc/67/03/86/656670386.db2.gz RKPLCSTWNDSMFJ-NWDGAFQWSA-N 0 3 271.361 -1.158 20 0 CAADHN CN(C(=O)CN1CCOCC1)[C@H]1CCN(CCO)C1 ZINC001033015071 656672321 /nfs/dbraw/zinc/67/23/21/656672321.db2.gz GFUNJRPOMQWZFJ-LBPRGKRZSA-N 0 3 271.361 -1.156 20 0 CAADHN CN(C(=O)CN1CN=NC1=O)[C@@H]1CCN(CCO)C1 ZINC001033027540 656672940 /nfs/dbraw/zinc/67/29/40/656672940.db2.gz YWQYSEANXZKYRM-SECBINFHSA-N 0 3 269.305 -1.491 20 0 CAADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033023856 656672991 /nfs/dbraw/zinc/67/29/91/656672991.db2.gz RNBYSENSCRMPNK-VHSXEESVSA-N 0 3 283.332 -1.103 20 0 CAADHN CN(C(=O)CN1CN=NC1=O)[C@H]1CCN(CCO)C1 ZINC001033027542 656673230 /nfs/dbraw/zinc/67/32/30/656673230.db2.gz YWQYSEANXZKYRM-VIFPVBQESA-N 0 3 269.305 -1.491 20 0 CAADHN CN(C(=O)CN1CCOCC1)[C@@H]1CCN(CCO)C1 ZINC001033015070 656673384 /nfs/dbraw/zinc/67/33/84/656673384.db2.gz GFUNJRPOMQWZFJ-GFCCVEGCSA-N 0 3 271.361 -1.156 20 0 CAADHN CN(C(=O)[C@H]1COC(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033044697 656675098 /nfs/dbraw/zinc/67/50/98/656675098.db2.gz GGBQMVVMOTXUEO-RKDXNWHRSA-N 0 3 257.290 -1.380 20 0 CAADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033085904 656682413 /nfs/dbraw/zinc/68/24/13/656682413.db2.gz KKJMTUBVXGNGEB-VHSXEESVSA-N 0 3 268.321 -1.413 20 0 CAADHN CN(C(=O)Cn1ncnn1)[C@H]1CCN(CCO)C1 ZINC001033086433 656683311 /nfs/dbraw/zinc/68/33/11/656683311.db2.gz MCIKOOWVINGLET-VIFPVBQESA-N 0 3 254.294 -1.802 20 0 CAADHN CN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CCN(CCO)C1 ZINC001033097272 656684357 /nfs/dbraw/zinc/68/43/57/656684357.db2.gz WFWYMKFCYUKYIV-SECBINFHSA-N 0 3 296.331 -2.098 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NC1CCN(CCO)CC1 ZINC001004283777 656685212 /nfs/dbraw/zinc/68/52/12/656685212.db2.gz CVLYZZGVPPUUEM-SECBINFHSA-N 0 3 283.328 -1.388 20 0 CAADHN CN(C(=O)c1cc(=O)n(C)cn1)[C@H]1CCN(CCO)C1 ZINC001033153591 656690220 /nfs/dbraw/zinc/69/02/20/656690220.db2.gz IWBWSORFKMLQBV-JTQLQIEISA-N 0 3 280.328 -1.081 20 0 CAADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001033208040 656697702 /nfs/dbraw/zinc/69/77/02/656697702.db2.gz ODMAXDLZBXSTNZ-WDEREUQCSA-N 0 3 297.359 -1.505 20 0 CAADHN CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CCN(CCO)C1 ZINC001033328992 656703433 /nfs/dbraw/zinc/70/34/33/656703433.db2.gz RPGXKCBBRCYLQH-LLVKDONJSA-N 0 3 284.360 -2.057 20 0 CAADHN CN(C(=O)[C@H]1CCNC1=O)[C@@H]1CCN(CCO)C1 ZINC001033334405 656703518 /nfs/dbraw/zinc/70/35/18/656703518.db2.gz WGHWZCCAZYPZGF-ZJUUUORDSA-N 0 3 255.318 -1.353 20 0 CAADHN O[C@@H](COC[C@@H]1CCCO1)CN1C[C@H](O)[C@@H](O)C1 ZINC000625712263 656703615 /nfs/dbraw/zinc/70/36/15/656703615.db2.gz SKWLBSUUFMVDFA-RHYQMDGZSA-N 0 3 261.318 -1.420 20 0 CAADHN COCCN1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033328218 656704175 /nfs/dbraw/zinc/70/41/75/656704175.db2.gz NHFBQVOKMIAAPA-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033338085 656704636 /nfs/dbraw/zinc/70/46/36/656704636.db2.gz VETXGCPODPVSMU-DTWKUNHWSA-N 0 3 268.321 -1.263 20 0 CAADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033327334 656705703 /nfs/dbraw/zinc/70/57/03/656705703.db2.gz HWKKGTMNQZCIOG-NEPJUHHUSA-N 0 3 298.387 -1.668 20 0 CAADHN CN(C(=O)[C@@H]1CCNC1=O)[C@H]1CCN(CCO)C1 ZINC001033334403 656705712 /nfs/dbraw/zinc/70/57/12/656705712.db2.gz WGHWZCCAZYPZGF-VHSXEESVSA-N 0 3 255.318 -1.353 20 0 CAADHN CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033328958 656706337 /nfs/dbraw/zinc/70/63/37/656706337.db2.gz QYERQFRGYZJKIX-NXEZZACHSA-N 0 3 270.333 -1.465 20 0 CAADHN CN(C(=O)[C@@H]1CCNC1=O)[C@@H]1CCN(CCO)C1 ZINC001033334400 656706564 /nfs/dbraw/zinc/70/65/64/656706564.db2.gz WGHWZCCAZYPZGF-NXEZZACHSA-N 0 3 255.318 -1.353 20 0 CAADHN CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033372756 656707689 /nfs/dbraw/zinc/70/76/89/656707689.db2.gz KLLRUQLJBIWCIN-BDAKNGLRSA-N 0 3 256.306 -1.807 20 0 CAADHN CN1CCOC[C@@H]1CNS(=O)(=O)N1CCNCC1 ZINC000700142658 656707702 /nfs/dbraw/zinc/70/77/02/656707702.db2.gz GPJWUOLZCPOHAE-JTQLQIEISA-N 0 3 278.378 -1.943 20 0 CAADHN CN(C(=O)[C@@H]1CCN(C)C1=O)[C@H]1CCN(CCO)C1 ZINC001033341200 656707753 /nfs/dbraw/zinc/70/77/53/656707753.db2.gz MNMKDUJZMATTNZ-WDEREUQCSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C(=O)[C@H]1CCN(C)C1=O)[C@H]1CCN(CCO)C1 ZINC001033341199 656708616 /nfs/dbraw/zinc/70/86/16/656708616.db2.gz MNMKDUJZMATTNZ-QWRGUYRKSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C(=O)c1nnn(C)n1)[C@@H]1CCN(CCCO)C1 ZINC001033345391 656708640 /nfs/dbraw/zinc/70/86/40/656708640.db2.gz MCTLJSAIZIMGIJ-SECBINFHSA-N 0 3 268.321 -1.261 20 0 CAADHN CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(CCCO)C1 ZINC001033371482 656709151 /nfs/dbraw/zinc/70/91/51/656709151.db2.gz AHIADFDWNWTSGV-ZJUUUORDSA-N 0 3 270.333 -1.417 20 0 CAADHN CN(C(=O)c1nnn(C)n1)[C@H]1CCN(CCCO)C1 ZINC001033345392 656709266 /nfs/dbraw/zinc/70/92/66/656709266.db2.gz MCTLJSAIZIMGIJ-VIFPVBQESA-N 0 3 268.321 -1.261 20 0 CAADHN CN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(CCCO)C1 ZINC001033371468 656709294 /nfs/dbraw/zinc/70/92/94/656709294.db2.gz AHIADFDWNWTSGV-UWVGGRQHSA-N 0 3 270.333 -1.417 20 0 CAADHN CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033372759 656709684 /nfs/dbraw/zinc/70/96/84/656709684.db2.gz KLLRUQLJBIWCIN-RKDXNWHRSA-N 0 3 256.306 -1.807 20 0 CAADHN COCCN1CC[C@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001033373955 656711628 /nfs/dbraw/zinc/71/16/28/656711628.db2.gz RPIJPZHXEFOSAT-UWVGGRQHSA-N 0 3 270.333 -1.153 20 0 CAADHN COCCN1CC[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001033373952 656711909 /nfs/dbraw/zinc/71/19/09/656711909.db2.gz RPIJPZHXEFOSAT-NXEZZACHSA-N 0 3 270.333 -1.153 20 0 CAADHN CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCN(CCCO)C1 ZINC001033409491 656713066 /nfs/dbraw/zinc/71/30/66/656713066.db2.gz LPFOOLKODQHTRX-SDDRHHMPSA-N 0 3 299.371 -1.066 20 0 CAADHN CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(CC(N)=O)C1 ZINC001033452469 656715660 /nfs/dbraw/zinc/71/56/60/656715660.db2.gz LOOHZGPCGLNWKO-SNVBAGLBSA-N 0 3 265.317 -1.030 20 0 CAADHN C[C@H](O)CN1CC[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501042 656716116 /nfs/dbraw/zinc/71/61/16/656716116.db2.gz AFEUZLKECRIYAG-GXSJLCMTSA-N 0 3 297.355 -1.047 20 0 CAADHN COCCN1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001033462877 656716712 /nfs/dbraw/zinc/71/67/12/656716712.db2.gz CWTCLKUIJODQHO-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN COCCN1CC[C@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001033507967 656716953 /nfs/dbraw/zinc/71/69/53/656716953.db2.gz NKEBHTOOKAAIIX-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000702385297 656737399 /nfs/dbraw/zinc/73/73/99/656737399.db2.gz FMLFREHAYCTMOQ-VIFPVBQESA-N 0 3 278.378 -2.021 20 0 CAADHN CN1N=C(C(=O)NC[C@H]2CNCCO2)CCC1=O ZINC000700958506 656725051 /nfs/dbraw/zinc/72/50/51/656725051.db2.gz IOXIZIQQHDJYGG-MRVPVSSYSA-N 0 3 254.290 -1.301 20 0 CAADHN CN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033672857 656725193 /nfs/dbraw/zinc/72/51/93/656725193.db2.gz BERZSOYQWURFRL-UWVGGRQHSA-N 0 3 291.373 -1.797 20 0 CAADHN CN(C(=O)CN1C(=O)CCC1=O)[C@@H]1CCN(CCO)C1 ZINC001033645803 656725607 /nfs/dbraw/zinc/72/56/07/656725607.db2.gz HMDYVQVXUOATQN-SNVBAGLBSA-N 0 3 283.328 -1.340 20 0 CAADHN CN(CCO)CCN(C)C(=O)CCN1C(=O)CCC1=O ZINC000700969628 656725893 /nfs/dbraw/zinc/72/58/93/656725893.db2.gz SPQZTVYJAGIZOD-UHFFFAOYSA-N 0 3 285.344 -1.092 20 0 CAADHN CN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033672863 656726622 /nfs/dbraw/zinc/72/66/22/656726622.db2.gz BERZSOYQWURFRL-ZJUUUORDSA-N 0 3 291.373 -1.797 20 0 CAADHN CN(C(=O)c1cn(C)c(=O)[nH]c1=O)[C@@H]1CCN(CCO)C1 ZINC001033662586 656727346 /nfs/dbraw/zinc/72/73/46/656727346.db2.gz ZRBHPBXKLQDYFT-SECBINFHSA-N 0 3 296.327 -1.376 20 0 CAADHN CN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033672860 656727487 /nfs/dbraw/zinc/72/74/87/656727487.db2.gz BERZSOYQWURFRL-VHSXEESVSA-N 0 3 291.373 -1.797 20 0 CAADHN CN(C(=O)c1ccc(=O)n(C)n1)[C@H]1CCN(CCO)C1 ZINC001033639618 656727687 /nfs/dbraw/zinc/72/76/87/656727687.db2.gz GKIORXXIIBZGKD-JTQLQIEISA-N 0 3 280.328 -1.081 20 0 CAADHN CN(C(=O)CN1C(=O)CCC1=O)[C@H]1CCN(CCO)C1 ZINC001033645802 656728047 /nfs/dbraw/zinc/72/80/47/656728047.db2.gz HMDYVQVXUOATQN-JTQLQIEISA-N 0 3 283.328 -1.340 20 0 CAADHN CN(C(=O)C[C@@H]1CC(=O)NC1=O)[C@H]1CCN(CCO)C1 ZINC001033722372 656728708 /nfs/dbraw/zinc/72/87/08/656728708.db2.gz KNJHLWBULWJBJG-UWVGGRQHSA-N 0 3 283.328 -1.436 20 0 CAADHN CN(C(=O)C[C@H]1CC(=O)NC1=O)[C@@H]1CCN(CCO)C1 ZINC001033722371 656729456 /nfs/dbraw/zinc/72/94/56/656729456.db2.gz KNJHLWBULWJBJG-NXEZZACHSA-N 0 3 283.328 -1.436 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001033674546 656730014 /nfs/dbraw/zinc/73/00/14/656730014.db2.gz KTZWLWWCQCNLQF-STQMWFEESA-N 0 3 299.371 -1.241 20 0 CAADHN CCN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033936397 656733845 /nfs/dbraw/zinc/73/38/45/656733845.db2.gz ADBWVWQPPQOAQB-VHSXEESVSA-N 0 3 270.333 -1.417 20 0 CAADHN CCN(C(=O)C1CC(=O)NC(=O)C1)[C@H]1CCN(CCO)C1 ZINC001033987790 656734189 /nfs/dbraw/zinc/73/41/89/656734189.db2.gz WVTGKVRPBNTAPI-NSHDSACASA-N 0 3 297.355 -1.046 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CCCCN(CCO)C1 ZINC001034096429 656734241 /nfs/dbraw/zinc/73/42/41/656734241.db2.gz CTTDFTQEQZECSV-SNVBAGLBSA-N 0 3 268.321 -1.364 20 0 CAADHN CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CCN(CCO)C1 ZINC001033951354 656735161 /nfs/dbraw/zinc/73/51/61/656735161.db2.gz FFTSHGCKQXTFKZ-GRYCIOLGSA-N 0 3 299.371 -1.066 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702384190 656736307 /nfs/dbraw/zinc/73/63/07/656736307.db2.gz BWVDONZFJKKWSR-NSHDSACASA-N 0 3 285.392 -1.844 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000702385089 656736467 /nfs/dbraw/zinc/73/64/67/656736467.db2.gz AOEDLFYLHQZBHY-UWVGGRQHSA-N 0 3 292.405 -1.585 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@H]1CCCCN(CCO)C1 ZINC001034245788 656736604 /nfs/dbraw/zinc/73/66/04/656736604.db2.gz UAHKKYYRIMTFMM-LBPRGKRZSA-N 0 3 299.371 -1.192 20 0 CAADHN O=C(Cn1ncnn1)N[C@H]1CCCCN(CCO)C1 ZINC001034207376 656736859 /nfs/dbraw/zinc/73/68/59/656736859.db2.gz KLBJPDCRAVEBFL-JTQLQIEISA-N 0 3 268.321 -1.364 20 0 CAADHN CN(C)C[C@H](N)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000702351305 656737144 /nfs/dbraw/zinc/73/71/44/656737144.db2.gz NZIVTZHJPKQXSQ-ZJUUUORDSA-N 0 3 292.405 -1.585 20 0 CAADHN CN(C)C[C@H](N)C(=O)NCCCN1CCOCC1 ZINC000702433010 656737204 /nfs/dbraw/zinc/73/72/04/656737204.db2.gz YRVXKVRGSXOKCP-NSHDSACASA-N 0 3 258.366 -1.286 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2CCCCN(CCO)C2)c1=O ZINC001034278257 656739881 /nfs/dbraw/zinc/73/98/81/656739881.db2.gz BOFJPLCUDSEZQD-LLVKDONJSA-N 0 3 297.359 -1.455 20 0 CAADHN O=S(=O)(NCCOCCF)N1CCNCC1 ZINC000702606407 656741264 /nfs/dbraw/zinc/74/12/64/656741264.db2.gz YBOIAYMQJBTGRO-UHFFFAOYSA-N 0 3 255.315 -1.288 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H]2CCCCN(CCO)C2)NC1=O ZINC001034340759 656742428 /nfs/dbraw/zinc/74/24/28/656742428.db2.gz UGZIDRDMMBCTGU-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@H]1CCCCN(CCO)C1 ZINC001034341393 656742607 /nfs/dbraw/zinc/74/26/07/656742607.db2.gz BRVXVVNXAZDODD-LBPRGKRZSA-N 0 3 298.387 -1.619 20 0 CAADHN O=C(N[C@@H]1CCCCN(CCO)C1)[C@@H]1CNC(=O)N1 ZINC001034380179 656743308 /nfs/dbraw/zinc/74/33/08/656743308.db2.gz RXAKEUONZNESHL-ZJUUUORDSA-N 0 3 270.333 -1.369 20 0 CAADHN O=C(N[C@H]1CCCCN(CCO)C1)[C@H]1CNC(=O)N1 ZINC001034380178 656744307 /nfs/dbraw/zinc/74/43/07/656744307.db2.gz RXAKEUONZNESHL-VHSXEESVSA-N 0 3 270.333 -1.369 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000703128311 656746241 /nfs/dbraw/zinc/74/62/41/656746241.db2.gz DNDWEDYHDSTETL-MRVPVSSYSA-N 0 3 297.402 -1.698 20 0 CAADHN CN(C(=O)Cn1ncn(C)c1=O)C1CCN(CCO)CC1 ZINC001005625603 656747224 /nfs/dbraw/zinc/74/72/24/656747224.db2.gz LWXFVIBZUVQLCO-UHFFFAOYSA-N 0 3 297.359 -1.503 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001005656846 656747835 /nfs/dbraw/zinc/74/78/35/656747835.db2.gz NXHOEJWWHOTZAA-CHWFTXMASA-N 0 3 294.355 -1.186 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001034879764 656750913 /nfs/dbraw/zinc/75/09/13/656750913.db2.gz KIHCNZBYDMNRST-GMTAPVOTSA-N 0 3 294.355 -1.266 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)n1 ZINC001035017446 656751000 /nfs/dbraw/zinc/75/10/00/656751000.db2.gz SQKYJNBJHRJSBB-BDAKNGLRSA-N 0 3 293.331 -1.707 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)nn1 ZINC001034930138 656751040 /nfs/dbraw/zinc/75/10/40/656751040.db2.gz PHRXTGVQGICXBZ-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN CN1CCC[C@H](NS(=O)(=O)N2CCNCC2)C1=O ZINC000704372973 656751284 /nfs/dbraw/zinc/75/12/84/656751284.db2.gz QOMYJKCMOOMYAK-VIFPVBQESA-N 0 3 276.362 -1.653 20 0 CAADHN O=C(Cn1ncnn1)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001034939195 656751783 /nfs/dbraw/zinc/75/17/83/656751783.db2.gz XXCDBXLASCWIMZ-ZJUUUORDSA-N 0 3 293.331 -1.858 20 0 CAADHN O=C(Cn1nccn1)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001034946236 656751803 /nfs/dbraw/zinc/75/18/03/656751803.db2.gz WXWYUXXTPOQGGI-MNOVXSKESA-N 0 3 292.343 -1.253 20 0 CAADHN CNC(=O)CN1CCC2(C1)CCN(C(=O)CC(N)=O)CC2 ZINC001035168228 656752293 /nfs/dbraw/zinc/75/22/93/656752293.db2.gz IKZOBVIBVCESFB-UHFFFAOYSA-N 0 3 296.371 -1.078 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]1CN[C@@H]1CCCNC1=O ZINC001035034870 656752389 /nfs/dbraw/zinc/75/23/89/656752389.db2.gz NKJSWSUVDYFWOU-RKDXNWHRSA-N 0 3 268.317 -1.669 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001035033152 656752808 /nfs/dbraw/zinc/75/28/08/656752808.db2.gz CEQAYRSOHGMSNZ-SFYZADRCSA-N 0 3 254.290 -2.059 20 0 CAADHN CN1CCC[C@@H](NC[C@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001035034703 656752985 /nfs/dbraw/zinc/75/29/85/656752985.db2.gz KWTKTMAJACNMSU-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001035033150 656753016 /nfs/dbraw/zinc/75/30/16/656753016.db2.gz CEQAYRSOHGMSNZ-HTQZYQBOSA-N 0 3 254.290 -2.059 20 0 CAADHN C[C@H](CNS(=O)(=O)N1CCNCC1)S(C)(=O)=O ZINC000704921635 656753146 /nfs/dbraw/zinc/75/31/46/656753146.db2.gz FBXYVNKIUPAYLD-MRVPVSSYSA-N 0 3 285.391 -1.841 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001035079700 656753318 /nfs/dbraw/zinc/75/33/18/656753318.db2.gz QICSKKCFIIRQNA-BDAKNGLRSA-N 0 3 278.316 -1.113 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001035106666 656753339 /nfs/dbraw/zinc/75/33/39/656753339.db2.gz KIHCNZBYDMNRST-VWYCJHECSA-N 0 3 294.355 -1.266 20 0 CAADHN CNC(=O)CN1CCC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035218616 656753531 /nfs/dbraw/zinc/75/35/31/656753531.db2.gz KTXPTMZUSHPNPW-UHFFFAOYSA-N 0 3 282.344 -1.468 20 0 CAADHN O=C(Cn1cncn1)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001035119728 656753552 /nfs/dbraw/zinc/75/35/52/656753552.db2.gz ZNBLHJJNLBYNIT-MNOVXSKESA-N 0 3 292.343 -1.253 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)n1 ZINC001035077097 656753574 /nfs/dbraw/zinc/75/35/74/656753574.db2.gz BJNMLSPEIQTBQV-NXEZZACHSA-N 0 3 292.343 -1.102 20 0 CAADHN CNC(=O)[C@H](C)N1CCC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035220682 656754858 /nfs/dbraw/zinc/75/48/58/656754858.db2.gz KMZPUPMLJVKOKB-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN CCNS(=O)(=O)CCNC(=O)C(N)C(F)(F)F ZINC000705544508 656765569 /nfs/dbraw/zinc/76/55/69/656765569.db2.gz DFZQHYQMPUGOPE-YFKPBYRVSA-N 0 3 277.268 -1.069 20 0 CAADHN CCOC[C@@H]1CN(S(=O)(=O)N2CCNCC2)CCO1 ZINC000705812919 656776243 /nfs/dbraw/zinc/77/62/43/656776243.db2.gz DOZGPLJANZHCRR-NSHDSACASA-N 0 3 293.389 -1.126 20 0 CAADHN C[C@@H](O)CN1CC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035645790 656780353 /nfs/dbraw/zinc/78/03/53/656780353.db2.gz LYIADHGCUFCXSP-LLVKDONJSA-N 0 3 294.359 -1.022 20 0 CAADHN O=C(Cn1cnnn1)N1CCC2(CN(CCCO)C2)CC1 ZINC001035645471 656781720 /nfs/dbraw/zinc/78/17/20/656781720.db2.gz BOZPRWAQXVZUEI-UHFFFAOYSA-N 0 3 294.359 -1.020 20 0 CAADHN O=C(CN1CN=NC1=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035690722 656781872 /nfs/dbraw/zinc/78/18/72/656781872.db2.gz ZTCIXSPHILYYRZ-UHFFFAOYSA-N 0 3 295.343 -1.100 20 0 CAADHN C[C@@H](O)CN1CC2(C1)CCN(C(=O)[C@H]1CNC(=O)N1)CC2 ZINC001035782105 656782866 /nfs/dbraw/zinc/78/28/66/656782866.db2.gz NQGICVSXWAPYKX-GHMZBOCLSA-N 0 3 296.371 -1.027 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1CCC2(CN(CCCO)C2)CC1 ZINC001035779344 656783746 /nfs/dbraw/zinc/78/37/46/656783746.db2.gz LSCXTFLGIBXCEK-NSHDSACASA-N 0 3 296.371 -1.025 20 0 CAADHN C[C@H](O)CN1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035780387 656784236 /nfs/dbraw/zinc/78/42/36/656784236.db2.gz DZNXYIXXVXRVEP-VIFPVBQESA-N 0 3 255.318 -1.223 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NCc1cn(C)nn1 ZINC001036176229 656788628 /nfs/dbraw/zinc/78/86/28/656788628.db2.gz VOKNSWIZVKODKQ-PSASIEDQSA-N 0 3 280.332 -1.373 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NCc1cn(C)nn1 ZINC001036176232 656788808 /nfs/dbraw/zinc/78/88/08/656788808.db2.gz VOKNSWIZVKODKQ-SCZZXKLOSA-N 0 3 280.332 -1.373 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NCc1nncn1C ZINC001036175766 656788908 /nfs/dbraw/zinc/78/89/08/656788908.db2.gz TYWAICDSUDNSIG-IUCAKERBSA-N 0 3 280.332 -1.373 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NCc1cn(C)nn1 ZINC001036176236 656789456 /nfs/dbraw/zinc/78/94/56/656789456.db2.gz VOKNSWIZVKODKQ-WCBMZHEXSA-N 0 3 280.332 -1.373 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@@H](C)N1 ZINC000923569581 656806918 /nfs/dbraw/zinc/80/69/18/656806918.db2.gz PKMQZCGENGTCLO-NXEZZACHSA-N 0 3 262.379 -1.181 20 0 CAADHN Cc1nnc(CN[C@H]2CCN(C(=O)C(N)=O)C[C@H]2C)[nH]1 ZINC001036162689 656790598 /nfs/dbraw/zinc/79/05/98/656790598.db2.gz JCYHGXFPXBGCMH-APPZFPTMSA-N 0 3 280.332 -1.075 20 0 CAADHN Cc1nnc(CN[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]2C)[nH]1 ZINC001036162691 656791214 /nfs/dbraw/zinc/79/12/14/656791214.db2.gz JCYHGXFPXBGCMH-IONNQARKSA-N 0 3 280.332 -1.075 20 0 CAADHN CC(C)N1CC[C@@H](NS(=O)(=O)N2CCNCC2)C1=O ZINC000709008593 656791835 /nfs/dbraw/zinc/79/18/35/656791835.db2.gz JYVFSZCKUWWCKE-SNVBAGLBSA-N 0 3 290.389 -1.265 20 0 CAADHN COC(=O)C[C@H]1CN(C(=O)[C@@H](N)CN(C)C)CCO1 ZINC000707381885 656792090 /nfs/dbraw/zinc/79/20/90/656792090.db2.gz IJTJEVCNBJFHKK-UWVGGRQHSA-N 0 3 273.333 -1.334 20 0 CAADHN CN1CC(C(=O)N2CCN(C)C[C@H]2CO)=NC1=O ZINC000708322380 656792400 /nfs/dbraw/zinc/79/24/00/656792400.db2.gz DJGWVBNMYDVKAE-QMMMGPOBSA-N 0 3 254.290 -1.126 20 0 CAADHN COC(=O)[C@@H]1COCCN1C(=O)[C@@H](N)CN(C)C ZINC000707359858 656792506 /nfs/dbraw/zinc/79/25/06/656792506.db2.gz DLQDOXBJVFSWHG-IUCAKERBSA-N 0 3 259.306 -1.724 20 0 CAADHN CN(CCC1CCN(C(=O)C(N)=O)CC1)[C@@H]1CCNC1=O ZINC001036603581 656792874 /nfs/dbraw/zinc/79/28/74/656792874.db2.gz NFTSKIFVBHJCMZ-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CCN1CC[C@@H](NC(=O)N2CC(S(N)(=O)=O)C2)C1 ZINC000922906365 656797035 /nfs/dbraw/zinc/79/70/35/656797035.db2.gz BTVMCHCDNZIVNZ-MRVPVSSYSA-N 0 3 276.362 -1.237 20 0 CAADHN CNC(=O)CN1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@H]21 ZINC001036671613 656799948 /nfs/dbraw/zinc/79/99/48/656799948.db2.gz MWSWYDMGJUJORR-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C)CCN(C)C(=O)NCCCS(N)(=O)=O ZINC000923207549 656801819 /nfs/dbraw/zinc/80/18/19/656801819.db2.gz KUFDXUQXVNWTLS-UHFFFAOYSA-N 0 3 266.367 -1.132 20 0 CAADHN CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CCN(CCO)CC1 ZINC001005983308 656802240 /nfs/dbraw/zinc/80/22/40/656802240.db2.gz FWNXENVLJOJBGD-NWDGAFQWSA-N 0 3 299.371 -1.066 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923332104 656802989 /nfs/dbraw/zinc/80/29/89/656802989.db2.gz HCKLDWHEOOABLS-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923270473 656803324 /nfs/dbraw/zinc/80/33/24/656803324.db2.gz UUHHIRXZLJBFHE-ZJUUUORDSA-N 0 3 290.389 -1.265 20 0 CAADHN CN(C[C@@H]1COCCO1)S(=O)(=O)N1CCNCC1 ZINC000923653627 656812301 /nfs/dbraw/zinc/81/23/01/656812301.db2.gz BDIDBKAPEWMWIZ-SNVBAGLBSA-N 0 3 279.362 -1.516 20 0 CAADHN CN(C(=O)C1CC(=O)NC(=O)C1)C1CCN(CCO)CC1 ZINC001006136131 656806416 /nfs/dbraw/zinc/80/64/16/656806416.db2.gz ITWYNUNWCMIKIU-UHFFFAOYSA-N 0 3 297.355 -1.046 20 0 CAADHN NC(=O)CC(=O)N1CCC(O)(CN[C@@H]2CCNC2=O)CC1 ZINC000946918800 656807381 /nfs/dbraw/zinc/80/73/81/656807381.db2.gz RXJMQEMBCSTGAA-SECBINFHSA-N 0 3 298.343 -2.307 20 0 CAADHN Nc1ccnc(CNC(=O)[C@@H]2CN3CCN2CCC3)n1 ZINC000408033069 656807777 /nfs/dbraw/zinc/80/77/77/656807777.db2.gz HGRBEXWNZRJMAY-JTQLQIEISA-N 0 3 276.344 -0.935 20 0 CAADHN O=C1CCCN1CCCNS(=O)(=O)C1CNC1 ZINC000923580574 656808061 /nfs/dbraw/zinc/80/80/61/656808061.db2.gz BMXTWVJKWJNCFZ-UHFFFAOYSA-N 0 3 261.347 -1.110 20 0 CAADHN CN(CCN1CCOCC1)S(=O)(=O)N1CCNCC1 ZINC000923602911 656808326 /nfs/dbraw/zinc/80/83/26/656808326.db2.gz HCQKKNNFQJDYCN-UHFFFAOYSA-N 0 3 292.405 -1.600 20 0 CAADHN Cc1nc2n(n1)C[C@H](NS(=O)(=O)C1CNC1)CC2 ZINC000923603500 656808390 /nfs/dbraw/zinc/80/83/90/656808390.db2.gz MQBZETYBWDKEAE-MRVPVSSYSA-N 0 3 271.346 -1.207 20 0 CAADHN CNC(=O)C1(NS(=O)(=O)N2CCNCC2)CCCC1 ZINC000923603665 656808578 /nfs/dbraw/zinc/80/85/78/656808578.db2.gz ODQCSTPEOGWPIE-UHFFFAOYSA-N 0 3 290.389 -1.215 20 0 CAADHN CC(C)N1C[C@H](NS(=O)(=O)N2CCNCC2)CC1=O ZINC000923602420 656808606 /nfs/dbraw/zinc/80/86/06/656808606.db2.gz AKLRYANMSLJIKS-SNVBAGLBSA-N 0 3 290.389 -1.265 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CCN(CCCO)C1 ZINC001016436592 656808615 /nfs/dbraw/zinc/80/86/15/656808615.db2.gz MCERAUUGRPPTRW-VHSXEESVSA-N 0 3 283.328 -1.388 20 0 CAADHN O=S(=O)(NCCOC[C@H]1CCOC1)N1CCNCC1 ZINC000923607550 656809684 /nfs/dbraw/zinc/80/96/84/656809684.db2.gz CZNXFRGGJQZMCU-NSHDSACASA-N 0 3 293.389 -1.221 20 0 CAADHN COC(=O)CSCCNS(=O)(=O)N1CCNCC1 ZINC000923607125 656809695 /nfs/dbraw/zinc/80/96/95/656809695.db2.gz RBLASUJNEVJYGG-UHFFFAOYSA-N 0 3 297.402 -1.368 20 0 CAADHN O=S(=O)(NCCOC[C@@H]1CCOC1)N1CCNCC1 ZINC000923607549 656809716 /nfs/dbraw/zinc/80/97/16/656809716.db2.gz CZNXFRGGJQZMCU-LLVKDONJSA-N 0 3 293.389 -1.221 20 0 CAADHN O=S(=O)(NCCOC[C@@H]1CCOC1)C1CNC1 ZINC000923608565 656809845 /nfs/dbraw/zinc/80/98/45/656809845.db2.gz UUPHYQQQJWGABZ-SECBINFHSA-N 0 3 264.347 -1.069 20 0 CAADHN COCCN(CC(=O)OC)S(=O)(=O)N1CCNCC1 ZINC000923611669 656809871 /nfs/dbraw/zinc/80/98/71/656809871.db2.gz WNFCFMNIJGHLJJ-UHFFFAOYSA-N 0 3 295.361 -1.742 20 0 CAADHN C[C@@H](Cn1cncn1)NS(=O)(=O)N1CCNCC1 ZINC000923607143 656809898 /nfs/dbraw/zinc/80/98/98/656809898.db2.gz VWAGANAYFYDGEF-VIFPVBQESA-N 0 3 274.350 -1.594 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C2CNC2)C[C@@H]1N1CCOCC1 ZINC000923624580 656810259 /nfs/dbraw/zinc/81/02/59/656810259.db2.gz GUKLSYJRHSLIRM-PWSUYJOCSA-N 0 3 289.401 -1.060 20 0 CAADHN NC(=O)C[C@@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923626767 656810267 /nfs/dbraw/zinc/81/02/67/656810267.db2.gz OKBKAARJZBTZEO-QMMMGPOBSA-N 0 3 261.347 -1.125 20 0 CAADHN C[C@H](CO[C@H]1CCOC1)NS(=O)(=O)N1CCNCC1 ZINC000923625487 656810301 /nfs/dbraw/zinc/81/03/01/656810301.db2.gz PIVBMJIMJOGZLO-MNOVXSKESA-N 0 3 293.389 -1.080 20 0 CAADHN C[C@H]1CN(S(=O)(=O)C2CNC2)C[C@@H]1N1CCOCC1 ZINC000923624579 656810334 /nfs/dbraw/zinc/81/03/34/656810334.db2.gz GUKLSYJRHSLIRM-JQWIXIFHSA-N 0 3 289.401 -1.060 20 0 CAADHN O=S(=O)(C1CNC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000923624431 656810366 /nfs/dbraw/zinc/81/03/66/656810366.db2.gz FEXPSJJQFYPEST-NSHDSACASA-N 0 3 289.401 -1.058 20 0 CAADHN Cc1nc2n(n1)CCN(S(=O)(=O)C1CNC1)C2 ZINC000923625112 656810500 /nfs/dbraw/zinc/81/05/00/656810500.db2.gz JCNWGZOOUNGBIH-UHFFFAOYSA-N 0 3 257.319 -1.296 20 0 CAADHN C[C@H](O)CN1CCN(S(=O)(=O)C2CNC2)C[C@H]1C ZINC000923620636 656810519 /nfs/dbraw/zinc/81/05/19/656810519.db2.gz KGNCYWDLHAGBJE-ZJUUUORDSA-N 0 3 277.390 -1.325 20 0 CAADHN C[C@H](O)CN1CCN(S(=O)(=O)C2CNC2)C[C@@H]1C ZINC000923620634 656810549 /nfs/dbraw/zinc/81/05/49/656810549.db2.gz KGNCYWDLHAGBJE-UWVGGRQHSA-N 0 3 277.390 -1.325 20 0 CAADHN Cc1nc2n(n1)CCN(S(=O)(=O)N1CCNCC1)C2 ZINC000923625498 656810697 /nfs/dbraw/zinc/81/06/97/656810697.db2.gz JNDRCHJACFPFSZ-UHFFFAOYSA-N 0 3 286.361 -1.448 20 0 CAADHN O=C1CN(S(=O)(=O)C2CNC2)CCN1C1CC1 ZINC000923623454 656810735 /nfs/dbraw/zinc/81/07/35/656810735.db2.gz HLFFWOUGZYUFTR-UHFFFAOYSA-N 0 3 259.331 -1.405 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C2CNC2)C[C@H]1N1CCOCC1 ZINC000923624582 656810779 /nfs/dbraw/zinc/81/07/79/656810779.db2.gz GUKLSYJRHSLIRM-ZYHUDNBSSA-N 0 3 289.401 -1.060 20 0 CAADHN COCCOC[C@@H](C)NS(=O)(=O)C1CNC1 ZINC000923621737 656810794 /nfs/dbraw/zinc/81/07/94/656810794.db2.gz ZFJGULGBNIRDEI-MRVPVSSYSA-N 0 3 252.336 -1.071 20 0 CAADHN Cn1ccnc1[C@@H]1CNCCN1S(=O)(=O)C1CNC1 ZINC000923641975 656811441 /nfs/dbraw/zinc/81/14/41/656811441.db2.gz BMLYDOKIZLJMKD-JTQLQIEISA-N 0 3 285.373 -1.332 20 0 CAADHN O=S(=O)(C1CNC1)N1CC[C@H]2OCCN[C@H]2C1 ZINC000923642621 656811365 /nfs/dbraw/zinc/81/13/65/656811365.db2.gz FVRXAMIARWZXRF-VHSXEESVSA-N 0 3 261.347 -1.649 20 0 CAADHN O=S(=O)(C1CNC1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000923642620 656811737 /nfs/dbraw/zinc/81/17/37/656811737.db2.gz FVRXAMIARWZXRF-UWVGGRQHSA-N 0 3 261.347 -1.649 20 0 CAADHN COC(=O)[C@H]1CNCCCN1S(=O)(=O)C1CNC1 ZINC000923643454 656811799 /nfs/dbraw/zinc/81/17/99/656811799.db2.gz KURYDRPUIZURMZ-SECBINFHSA-N 0 3 277.346 -1.875 20 0 CAADHN C[C@@H]1CN(CCNS(=O)(=O)C2CNC2)[C@H](C)CO1 ZINC000923654273 656812459 /nfs/dbraw/zinc/81/24/59/656812459.db2.gz FYBJNKXDALMNPM-NXEZZACHSA-N 0 3 277.390 -1.013 20 0 CAADHN C[C@@H]1CO[C@@H](C)CN1CCNS(=O)(=O)C1CNC1 ZINC000923654279 656812468 /nfs/dbraw/zinc/81/24/68/656812468.db2.gz FYBJNKXDALMNPM-ZJUUUORDSA-N 0 3 277.390 -1.013 20 0 CAADHN O=S(=O)(N1CCNCC1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC000923645186 656812526 /nfs/dbraw/zinc/81/25/26/656812526.db2.gz RAUDOHLNYIAMOR-QWRGUYRKSA-N 0 3 290.389 -1.801 20 0 CAADHN O=C1O[C@H](CNS(=O)(=O)C2CNC2)CN1C1CC1 ZINC000923654569 656812545 /nfs/dbraw/zinc/81/25/45/656812545.db2.gz ITOOAWDVMXYBRS-MRVPVSSYSA-N 0 3 275.330 -1.139 20 0 CAADHN CN(C[C@H]1COCCO1)S(=O)(=O)N1CCNCC1 ZINC000923653625 656812662 /nfs/dbraw/zinc/81/26/62/656812662.db2.gz BDIDBKAPEWMWIZ-JTQLQIEISA-N 0 3 279.362 -1.516 20 0 CAADHN O=S(=O)(NC[C@@H]1CCNCC1(F)F)N1CCNCC1 ZINC000923646426 656812682 /nfs/dbraw/zinc/81/26/82/656812682.db2.gz RTKVBRALEBKZFS-VIFPVBQESA-N 0 3 298.359 -1.029 20 0 CAADHN O=S(=O)(NC[C@@H]1COCCN1)N1CCNCC1 ZINC000923664258 656813061 /nfs/dbraw/zinc/81/30/61/656813061.db2.gz XJOVPSBMMJECND-SECBINFHSA-N 0 3 264.351 -2.286 20 0 CAADHN CNC(=O)NC[C@@H]1COCCN1S(=O)(=O)C1CNC1 ZINC000923664317 656813075 /nfs/dbraw/zinc/81/30/75/656813075.db2.gz GOPSKTSREIFDLA-MRVPVSSYSA-N 0 3 292.361 -2.082 20 0 CAADHN CON(C)C(=O)[C@H](C)NS(=O)(=O)N1CCNCC1 ZINC000923663369 656813120 /nfs/dbraw/zinc/81/31/20/656813120.db2.gz JFDIBTCYBONOGY-QMMMGPOBSA-N 0 3 280.350 -1.866 20 0 CAADHN O=C1OC[C@@]2(CNS(=O)(=O)C3CNC3)COCCN12 ZINC000923663874 656813281 /nfs/dbraw/zinc/81/32/81/656813281.db2.gz AHRQPGREZOLZIX-SNVBAGLBSA-N 0 3 291.329 -1.901 20 0 CAADHN O=S(=O)(C1CNC1)N1CC[C@H](Cn2ccnn2)C1 ZINC000923657642 656813300 /nfs/dbraw/zinc/81/33/00/656813300.db2.gz TZGCMXDGYDFLCO-SECBINFHSA-N 0 3 271.346 -1.098 20 0 CAADHN O=C1OC[C@]2(CNS(=O)(=O)C3CNC3)COCCN12 ZINC000923663862 656813467 /nfs/dbraw/zinc/81/34/67/656813467.db2.gz AHRQPGREZOLZIX-JTQLQIEISA-N 0 3 291.329 -1.901 20 0 CAADHN CCn1ncc(CNS(=O)(=O)N2CCNCC2)n1 ZINC000923660674 656813547 /nfs/dbraw/zinc/81/35/47/656813547.db2.gz YTCUEXVPJWGLIN-UHFFFAOYSA-N 0 3 274.350 -1.462 20 0 CAADHN CNC(=O)NC[C@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923660694 656813567 /nfs/dbraw/zinc/81/35/67/656813567.db2.gz YZSPZSGGUBGVBD-QMMMGPOBSA-N 0 3 292.361 -2.082 20 0 CAADHN O=S(=O)(C1CNC1)N1CC[C@@H](Cn2ccnn2)C1 ZINC000923657643 656813586 /nfs/dbraw/zinc/81/35/86/656813586.db2.gz TZGCMXDGYDFLCO-VIFPVBQESA-N 0 3 271.346 -1.098 20 0 CAADHN O=S(=O)(C1CNC1)N1CCN(c2nccnn2)CC1 ZINC000923660732 656813600 /nfs/dbraw/zinc/81/36/00/656813600.db2.gz ZZIUUBOYSLIGNT-UHFFFAOYSA-N 0 3 284.345 -1.705 20 0 CAADHN CNC(=O)NC[C@@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000923660693 656813704 /nfs/dbraw/zinc/81/37/04/656813704.db2.gz YZSPZSGGUBGVBD-MRVPVSSYSA-N 0 3 292.361 -2.082 20 0 CAADHN O=C1NCCO[C@@H]2CCCN(S(=O)(=O)C3CNC3)[C@H]12 ZINC000923671721 656813997 /nfs/dbraw/zinc/81/39/97/656813997.db2.gz IFLXLUGFCAUOJW-ZJUUUORDSA-N 0 3 289.357 -1.733 20 0 CAADHN CN1C[C@@H]2CC[C@H](CC1=O)N2S(=O)(=O)C1CNC1 ZINC000923675123 656814005 /nfs/dbraw/zinc/81/40/05/656814005.db2.gz XMFRQIJHBUMQAE-BDAKNGLRSA-N 0 3 273.358 -1.017 20 0 CAADHN CO[C@@H]1COCC[C@@H]1N(C)S(=O)(=O)N1CCNCC1 ZINC000923672918 656814227 /nfs/dbraw/zinc/81/42/27/656814227.db2.gz CZLFHLHXSSWGCG-WDEREUQCSA-N 0 3 293.389 -1.128 20 0 CAADHN O=C1NCCO[C@H]2CCCN(S(=O)(=O)C3CNC3)[C@@H]12 ZINC000923671718 656814333 /nfs/dbraw/zinc/81/43/33/656814333.db2.gz IFLXLUGFCAUOJW-VHSXEESVSA-N 0 3 289.357 -1.733 20 0 CAADHN C[S@](=N)(=O)N1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923669635 656814346 /nfs/dbraw/zinc/81/43/46/656814346.db2.gz ARBVOYWBMOHMOD-MRXNPFEDSA-N 0 3 282.391 -1.503 20 0 CAADHN CC[C@H](CN1CCOCC1)NS(=O)(=O)C1CNC1 ZINC000923677511 656814395 /nfs/dbraw/zinc/81/43/95/656814395.db2.gz WGJNFEXBOKWZSE-SNVBAGLBSA-N 0 3 277.390 -1.012 20 0 CAADHN CN(CCNC(=O)c1ncnn1C)CCOCCO ZINC000883152979 656814725 /nfs/dbraw/zinc/81/47/25/656814725.db2.gz NQLHZOKZCAVXOY-UHFFFAOYSA-N 0 3 271.321 -1.514 20 0 CAADHN Cc1c(S(=O)(=O)N2CCNCCNCC2)cnn1C ZINC000923692297 656815749 /nfs/dbraw/zinc/81/57/49/656815749.db2.gz NIRJCFXTQHYPCZ-UHFFFAOYSA-N 0 3 287.389 -1.088 20 0 CAADHN CO[C@H](C)CS(=O)(=O)N1CCNCCNCC1 ZINC000923693162 656816220 /nfs/dbraw/zinc/81/62/20/656816220.db2.gz WKNYTYZPMNEKBU-SNVBAGLBSA-N 0 3 265.379 -1.154 20 0 CAADHN COC[C@H](C)S(=O)(=O)N1CCNCCNCC1 ZINC000923690831 656815841 /nfs/dbraw/zinc/81/58/41/656815841.db2.gz HNPMLFHNGHEVFT-JTQLQIEISA-N 0 3 265.379 -1.154 20 0 CAADHN Cc1cnn(C)c1S(=O)(=O)N1CCNCCNCC1 ZINC000923692341 656815944 /nfs/dbraw/zinc/81/59/44/656815944.db2.gz OIGIZSZIVRDHID-UHFFFAOYSA-N 0 3 287.389 -1.088 20 0 CAADHN Cc1n[nH]cc1S(=O)(=O)N1CCNCCNCC1 ZINC000923691869 656816072 /nfs/dbraw/zinc/81/60/72/656816072.db2.gz WPBCZEMUKMTUAQ-UHFFFAOYSA-N 0 3 273.362 -1.098 20 0 CAADHN COCC1(S(=O)(=O)N2CCNCCNCC2)CC1 ZINC000923693878 656816229 /nfs/dbraw/zinc/81/62/29/656816229.db2.gz STHVZWOFKQEDIQ-UHFFFAOYSA-N 0 3 277.390 -1.010 20 0 CAADHN CCOCCS(=O)(=O)N1CCNCCNCC1 ZINC000923690365 656816279 /nfs/dbraw/zinc/81/62/79/656816279.db2.gz HSUIREJXARVFIC-UHFFFAOYSA-N 0 3 265.379 -1.153 20 0 CAADHN CO[C@@H](C)CS(=O)(=O)N1CCNCCNCC1 ZINC000923693161 656816347 /nfs/dbraw/zinc/81/63/47/656816347.db2.gz WKNYTYZPMNEKBU-JTQLQIEISA-N 0 3 265.379 -1.154 20 0 CAADHN O=S(=O)(NCCOC1CCOCC1)N1CCNCC1 ZINC000923733413 656817050 /nfs/dbraw/zinc/81/70/50/656817050.db2.gz GNXJXUXBWYQEGP-UHFFFAOYSA-N 0 3 293.389 -1.078 20 0 CAADHN O=S(=O)(NCCO[C@@H]1CCOC1)C1CNC1 ZINC000923734943 656817113 /nfs/dbraw/zinc/81/71/13/656817113.db2.gz VGMZUCJANVBZAL-MRVPVSSYSA-N 0 3 250.320 -1.317 20 0 CAADHN COC(=O)N1CC(N2C(=O)N[C@H](CN(C)C)C2=O)C1 ZINC000924765245 656817732 /nfs/dbraw/zinc/81/77/32/656817732.db2.gz LVXKWDMWIUBETG-MRVPVSSYSA-N 0 3 270.289 -1.081 20 0 CAADHN CNC(=O)C[C@H](C)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924914882 656817775 /nfs/dbraw/zinc/81/77/75/656817775.db2.gz KRUQMRMTKGMXLY-JGVFFNPUSA-N 0 3 256.306 -1.007 20 0 CAADHN CON(C)C(=O)CN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924942501 656817807 /nfs/dbraw/zinc/81/78/07/656817807.db2.gz JEZMMLGQUSIKCL-SSDOTTSWSA-N 0 3 258.278 -1.512 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC000924845698 656817913 /nfs/dbraw/zinc/81/79/13/656817913.db2.gz HQTAEZVIFDGLAI-VIFPVBQESA-N 0 3 284.316 -1.673 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CCS(=O)(=O)N(C)C)C1=O ZINC000924892902 656817992 /nfs/dbraw/zinc/81/79/92/656817992.db2.gz ZYPLPLOQVIJFNE-MRVPVSSYSA-N 0 3 292.361 -1.640 20 0 CAADHN CNC(=O)C[C@@H](C)N1C(=O)N[C@H](CN(C)C)C1=O ZINC000924914881 656818065 /nfs/dbraw/zinc/81/80/65/656818065.db2.gz KRUQMRMTKGMXLY-HTQZYQBOSA-N 0 3 256.306 -1.007 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CCC(=O)N(C)C)C1=O ZINC000924488667 656818210 /nfs/dbraw/zinc/81/82/10/656818210.db2.gz SFCANYGNYQVNPT-MRVPVSSYSA-N 0 3 256.306 -1.053 20 0 CAADHN CON(C)C(=O)CN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924942503 656818370 /nfs/dbraw/zinc/81/83/70/656818370.db2.gz JEZMMLGQUSIKCL-ZETCQYMHSA-N 0 3 258.278 -1.512 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CCS(=O)(=O)N(C)C)C1=O ZINC000924892904 656818506 /nfs/dbraw/zinc/81/85/06/656818506.db2.gz ZYPLPLOQVIJFNE-QMMMGPOBSA-N 0 3 292.361 -1.640 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)NC[C@H]1C[C@H](O)CN1C ZINC000924992056 656818865 /nfs/dbraw/zinc/81/88/65/656818865.db2.gz YYLAWWSMBDYCKE-ZJUUUORDSA-N 0 3 293.389 -1.551 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)NC[C@@H]1C[C@H](O)CN1C ZINC000924992050 656818901 /nfs/dbraw/zinc/81/89/01/656818901.db2.gz YYLAWWSMBDYCKE-UWVGGRQHSA-N 0 3 293.389 -1.551 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CCN1C ZINC000925344099 656819760 /nfs/dbraw/zinc/81/97/60/656819760.db2.gz YCVXIGSKSTUAHV-IMSYWVGJSA-N 0 3 280.328 -1.007 20 0 CAADHN C[C@H]1[C@@H](NC(=O)N2CC(S(N)(=O)=O)C2)CCN1C ZINC000925341723 656819846 /nfs/dbraw/zinc/81/98/46/656819846.db2.gz IKQGLEHTLWVBNR-CBAPKCEASA-N 0 3 276.362 -1.239 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCC[C@H](O)C1 ZINC000926286210 656820644 /nfs/dbraw/zinc/82/06/44/656820644.db2.gz YRICAGVXFIASJE-NSHDSACASA-N 0 3 284.360 -2.009 20 0 CAADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCN1CCNC1=O ZINC000925776098 656820850 /nfs/dbraw/zinc/82/08/50/656820850.db2.gz CUGIZBVCYLUFRN-VHSXEESVSA-N 0 3 270.333 -1.105 20 0 CAADHN CC1(C)CNC(=O)[C@@H]1NCCN1C(=O)CNC1=O ZINC000926163879 656820968 /nfs/dbraw/zinc/82/09/68/656820968.db2.gz ZIYSDIKYOYZHEV-QMMMGPOBSA-N 0 3 254.290 -1.348 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCCC1 ZINC000926281129 656821077 /nfs/dbraw/zinc/82/10/77/656821077.db2.gz KPDSYKOSSYVLKK-UHFFFAOYSA-N 0 3 254.334 -1.370 20 0 CAADHN CN(C(=O)C(=O)N1CCNCCNCC1)[C@H]1CCOC1 ZINC000926333988 656821529 /nfs/dbraw/zinc/82/15/29/656821529.db2.gz QWVGWBVFWPADDC-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN CN(C(=O)C(=O)N1CCNCCNCC1)[C@@H]1CCOC1 ZINC000926333985 656821550 /nfs/dbraw/zinc/82/15/50/656821550.db2.gz QWVGWBVFWPADDC-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)[C@@H]1CO ZINC000926341500 656821710 /nfs/dbraw/zinc/82/17/10/656821710.db2.gz KUVGEMQCUGZADI-NWDGAFQWSA-N 0 3 298.387 -1.763 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)[C@@H](C)CO1 ZINC000926311745 656821912 /nfs/dbraw/zinc/82/19/12/656821912.db2.gz GNDWVUZXNXFWRG-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@H]1COCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926308782 656822026 /nfs/dbraw/zinc/82/20/26/656822026.db2.gz HJZPPZBOPTTYGQ-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)[C@H]1CO ZINC000926341501 656822061 /nfs/dbraw/zinc/82/20/61/656822061.db2.gz KUVGEMQCUGZADI-RYUDHWBXSA-N 0 3 298.387 -1.763 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926327969 656822116 /nfs/dbraw/zinc/82/21/16/656822116.db2.gz LBVYFLOWNVHRIJ-SNVBAGLBSA-N 0 3 297.359 -2.645 20 0 CAADHN C[C@@]1(O)CCCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926342671 656822462 /nfs/dbraw/zinc/82/24/62/656822462.db2.gz AVOHWEXMRZOPLA-CQSZACIVSA-N 0 3 298.387 -1.619 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1=O ZINC000926389914 656822497 /nfs/dbraw/zinc/82/24/97/656822497.db2.gz SKGSRJKYMDHDCU-UHFFFAOYSA-N 0 3 297.359 -2.692 20 0 CAADHN CN1CCOC[C@]1(CO)CN[C@@H]1C(=O)NCC1(C)C ZINC000926893733 656823937 /nfs/dbraw/zinc/82/39/37/656823937.db2.gz UGAGNKVVXNWXIM-ZWNOBZJWSA-N 0 3 271.361 -1.206 20 0 CAADHN C[C@@H]1[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN1C ZINC000928431903 656825177 /nfs/dbraw/zinc/82/51/77/656825177.db2.gz OUDIBMGQJYIEPP-HLTSFMKQSA-N 0 3 261.347 -1.113 20 0 CAADHN C[C@@H]1[C@H](NC(=O)CN2CCNC(=O)C2)CCN1C ZINC000928423379 656825447 /nfs/dbraw/zinc/82/54/47/656825447.db2.gz AOBCQRPTWZDIRI-NXEZZACHSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN1C ZINC000928439452 656825557 /nfs/dbraw/zinc/82/55/57/656825557.db2.gz WIYRLKKTDUTCNH-CSMHCCOUSA-N 0 3 254.290 -1.207 20 0 CAADHN C[C@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN1C ZINC000928439453 656825759 /nfs/dbraw/zinc/82/57/59/656825759.db2.gz WIYRLKKTDUTCNH-FXQIFTODSA-N 0 3 254.290 -1.207 20 0 CAADHN CCN1CCN(CC(=O)N[C@H]2CCN(C)[C@H]2C)C(=O)C1=O ZINC000928453970 656826237 /nfs/dbraw/zinc/82/62/37/656826237.db2.gz JPKUEFSZLVACFT-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@H]1[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN1C ZINC000928439455 656826506 /nfs/dbraw/zinc/82/65/06/656826506.db2.gz WIYRLKKTDUTCNH-RNJXMRFFSA-N 0 3 254.290 -1.207 20 0 CAADHN CCN1CCN(CC(=O)N[C@H]2CCN(C)[C@@H]2C)C(=O)C1=O ZINC000928453968 656826706 /nfs/dbraw/zinc/82/67/06/656826706.db2.gz JPKUEFSZLVACFT-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@H]1[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CCN1C ZINC000928447837 656826933 /nfs/dbraw/zinc/82/69/33/656826933.db2.gz LOEBYEBPGYGMHU-JGVFFNPUSA-N 0 3 282.300 -1.384 20 0 CAADHN CCN1CCN(CC(=O)N[C@@H]2CCN(C)[C@H]2C)C(=O)C1=O ZINC000928453972 656827011 /nfs/dbraw/zinc/82/70/11/656827011.db2.gz JPKUEFSZLVACFT-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@@H](O)[C@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000929512356 656830852 /nfs/dbraw/zinc/83/08/52/656830852.db2.gz ACBHOYTXSMDCPS-CHWSQXEVSA-N 0 3 285.388 -1.032 20 0 CAADHN O=C(CN1CCCC1)N1CCN(C[C@@H](O)CO)CC1 ZINC000929514052 656831371 /nfs/dbraw/zinc/83/13/71/656831371.db2.gz YPTMGHPYXQZLLI-GFCCVEGCSA-N 0 3 271.361 -1.420 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000929875992 656833392 /nfs/dbraw/zinc/83/33/92/656833392.db2.gz DTQDOWWYRFNZIR-AXFHLTTASA-N 0 3 280.390 -1.011 20 0 CAADHN OCCN(CCN1CCOCC1)C[C@H](O)C1(O)CCC1 ZINC000929776917 656832411 /nfs/dbraw/zinc/83/24/11/656832411.db2.gz AWPVVXCWHBXXJB-ZDUSSCGKSA-N 0 3 288.388 -1.111 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)C[C@H](O)C1(O)CCC1 ZINC000929813730 656832629 /nfs/dbraw/zinc/83/26/29/656832629.db2.gz QNAPTKQJRIRHRD-OLZOCXBDSA-N 0 3 288.388 -1.113 20 0 CAADHN C[C@@H](O)[C@@H](O)CN(CCO)CCN1CCOCC1 ZINC000929781059 656832743 /nfs/dbraw/zinc/83/27/43/656832743.db2.gz OJVZDJQUSQQZKH-NEPJUHHUSA-N 0 3 262.350 -1.645 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000929875998 656833430 /nfs/dbraw/zinc/83/34/30/656833430.db2.gz DTQDOWWYRFNZIR-HBNTYKKESA-N 0 3 280.390 -1.011 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)CO)CC1 ZINC000929848635 656833604 /nfs/dbraw/zinc/83/36/04/656833604.db2.gz OWVKBVIGGXRJDV-NEPJUHHUSA-N 0 3 271.361 -1.422 20 0 CAADHN C[C@H](CCO)N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000929983896 656833664 /nfs/dbraw/zinc/83/36/64/656833664.db2.gz JJCPUJDAOJDAHM-GRYCIOLGSA-N 0 3 292.401 -1.155 20 0 CAADHN CN(C[C@@H](O)C[C@@]1(O)CCOC1)CC(C)(CO)CO ZINC000929858479 656833778 /nfs/dbraw/zinc/83/37/78/656833778.db2.gz IRXVJCYWYINJKU-AAEUAGOBSA-N 0 3 277.361 -1.189 20 0 CAADHN CC[C@H](CO)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000929984422 656833804 /nfs/dbraw/zinc/83/38/04/656833804.db2.gz SKFAXEFJWJIGPX-IJLUTSLNSA-N 0 3 292.401 -1.155 20 0 CAADHN C[C@@H](O)[C@@H](O)CN1C[C@H](C)N(C[C@@H](O)[C@H](C)O)C[C@H]1C ZINC000930070768 656835893 /nfs/dbraw/zinc/83/58/93/656835893.db2.gz WHSJXORQANPUTB-QSWPVVRKSA-N 0 3 290.404 -1.136 20 0 CAADHN CC[C@H](C)[C@@H]1CN(C[C@@H](O)CO)CCN1C[C@@H](O)CO ZINC000930079705 656836553 /nfs/dbraw/zinc/83/65/53/656836553.db2.gz IINNYVXBAIYDJT-DGAVXFQQSA-N 0 3 290.404 -1.275 20 0 CAADHN C[C@@H](O)[C@@H](O)CN1[C@H](C)CN(C[C@@H](O)[C@H](C)O)C[C@@H]1C ZINC000930263999 656837508 /nfs/dbraw/zinc/83/75/08/656837508.db2.gz LCVJSPFSVBKHJW-GLBINXAQSA-N 0 3 290.404 -1.136 20 0 CAADHN COC(=O)CCN1CCN(C[C@@H](O)CO)[C@@H](C)C1 ZINC000930237384 656837937 /nfs/dbraw/zinc/83/79/37/656837937.db2.gz SXCLXADMKWTRQU-WDEREUQCSA-N 0 3 260.334 -1.091 20 0 CAADHN C[C@@H](O)[C@H](O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000930448608 656838374 /nfs/dbraw/zinc/83/83/74/656838374.db2.gz GQOQPNLTZMBWNR-MWLCHTKSSA-N 0 3 280.390 -1.011 20 0 CAADHN O=C1CO[C@H]2CCN(C[C@@H](O)C3(O)CCC3)C[C@@H]2N1 ZINC000930679948 656840184 /nfs/dbraw/zinc/84/01/84/656840184.db2.gz SDTNTEDWPZPDCI-GARJFASQSA-N 0 3 270.329 -1.148 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC[C@H](O)C[C@]1(O)CCOC1 ZINC000930705180 656841251 /nfs/dbraw/zinc/84/12/51/656841251.db2.gz RQISZEOBGDUCNV-WRWGMCAJSA-N 0 3 261.318 -1.108 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000930847415 656841967 /nfs/dbraw/zinc/84/19/67/656841967.db2.gz HKOUJJWDHIVOEH-QWRGUYRKSA-N 0 3 259.350 -1.566 20 0 CAADHN CN(C)CCN1CCN(C[C@@H](O)C2(O)CCC2)CC1=O ZINC000930850871 656842383 /nfs/dbraw/zinc/84/23/83/656842383.db2.gz VGVNMMRSCABTNU-GFCCVEGCSA-N 0 3 285.388 -1.032 20 0 CAADHN CN1CCN(C(=O)CCN2CCN(C)[C@H](CO)C2)CC1 ZINC000931401497 656845683 /nfs/dbraw/zinc/84/56/83/656845683.db2.gz LBAWZUZEVVVJHG-ZDUSSCGKSA-N 0 3 284.404 -1.241 20 0 CAADHN CN1CCN(C(=O)CCN2CCN(C)[C@@H](CO)C2)CC1 ZINC000931401495 656845777 /nfs/dbraw/zinc/84/57/77/656845777.db2.gz LBAWZUZEVVVJHG-CYBMUJFWSA-N 0 3 284.404 -1.241 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN(C[C@@H](O)[C@@H](C)O)C1 ZINC000931338426 656845811 /nfs/dbraw/zinc/84/58/11/656845811.db2.gz QSTZCMYOQWMAPP-GMTAPVOTSA-N 0 3 280.390 -1.011 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H]1CSCC(=O)N1 ZINC000931627541 656847079 /nfs/dbraw/zinc/84/70/79/656847079.db2.gz RAAOPSLUEUEKCF-VIFPVBQESA-N 0 3 275.374 -1.088 20 0 CAADHN COCCN(C)CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000931626975 656847112 /nfs/dbraw/zinc/84/71/12/656847112.db2.gz JFYNUSIHZOPSMX-GFCCVEGCSA-N 0 3 287.360 -1.072 20 0 CAADHN COC(=O)CNC(=O)CCN[C@@H]1C(=O)NCC1(C)C ZINC000931663289 656847836 /nfs/dbraw/zinc/84/78/36/656847836.db2.gz RGLVRAJGCIRURS-SNVBAGLBSA-N 0 3 271.317 -1.220 20 0 CAADHN C[C@H](CNC(=O)CN1C[C@@H]2C[C@]2(O)C1)N1C[C@@H]2C[C@]2(O)C1 ZINC000931697303 656847870 /nfs/dbraw/zinc/84/78/70/656847870.db2.gz GTCFRPCSAYPCKC-SQLGEJSKSA-N 0 3 295.383 -1.376 20 0 CAADHN CNC(=O)NC(=O)CCN[C@H]1C(=O)NCC1(C)C ZINC000931658913 656848134 /nfs/dbraw/zinc/84/81/34/656848134.db2.gz NYZMXTGJNJKZQO-QMMMGPOBSA-N 0 3 256.306 -1.054 20 0 CAADHN COC(=O)[C@@]1(O)CCN(C[C@@H](O)C2(O)CCC2)C1 ZINC000931709289 656848783 /nfs/dbraw/zinc/84/87/83/656848783.db2.gz JROOKWHMVYFBPZ-BXKDBHETSA-N 0 3 259.302 -1.128 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1nnn(C)n1 ZINC000932252109 656854914 /nfs/dbraw/zinc/85/49/14/656854914.db2.gz IBNITEQDZNEWHL-UHFFFAOYSA-N 0 3 298.351 -1.306 20 0 CAADHN Cn1nnc(CN2CCN(C)CCN(C)CC2)n1 ZINC000933991280 656858861 /nfs/dbraw/zinc/85/88/61/656858861.db2.gz BMYGHOXIOQGJRP-UHFFFAOYSA-N 0 3 253.354 -1.111 20 0 CAADHN COC(=O)CNC(=O)CN1CC[C@H]2[C@H]1CCCN2CCO ZINC000934254919 656860326 /nfs/dbraw/zinc/86/03/26/656860326.db2.gz FORSBQGAMAAQSC-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N[C@H](CO)CN(C)C)C1 ZINC000935980948 656865858 /nfs/dbraw/zinc/86/58/58/656865858.db2.gz MUKMODURFPQUPS-WDEREUQCSA-N 0 3 273.333 -1.728 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CSCC(=O)N1 ZINC000935986743 656865907 /nfs/dbraw/zinc/86/59/07/656865907.db2.gz VTTIRPYTDBVPDO-ZJUUUORDSA-N 0 3 287.385 -1.209 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N[C@@H](CO)CN1CCCC1 ZINC000935983900 656865981 /nfs/dbraw/zinc/86/59/81/656865981.db2.gz FNOQBEXLKCRWFN-VHSXEESVSA-N 0 3 283.328 -1.388 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N[C@H](CO)CN1CCCC1 ZINC000935983899 656865990 /nfs/dbraw/zinc/86/59/90/656865990.db2.gz FNOQBEXLKCRWFN-UWVGGRQHSA-N 0 3 283.328 -1.388 20 0 CAADHN CCn1cc(CC(=O)N[C@H](CO)CN(C)C)nn1 ZINC000935981618 656866177 /nfs/dbraw/zinc/86/61/77/656866177.db2.gz SGLUCQZYDQXBJR-JTQLQIEISA-N 0 3 255.322 -1.121 20 0 CAADHN C[C@@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)N1CCNCC1 ZINC000040860809 656866215 /nfs/dbraw/zinc/86/62/15/656866215.db2.gz ATVYTGLZZUXNJJ-ZJUUUORDSA-N 0 3 290.389 -1.278 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N[C@H](CO)CN2CCCC2)C1 ZINC000935986887 656866280 /nfs/dbraw/zinc/86/62/80/656866280.db2.gz WRXIYDDJCDKVTL-STQMWFEESA-N 0 3 299.371 -1.193 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N[C@H](CO)CN(C)C)C1 ZINC000935980947 656866652 /nfs/dbraw/zinc/86/66/52/656866652.db2.gz MUKMODURFPQUPS-QWRGUYRKSA-N 0 3 273.333 -1.728 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C[C@]1(C)CCS(=O)(=O)N1 ZINC000935979903 656866755 /nfs/dbraw/zinc/86/67/55/656866755.db2.gz BLCSMNGMQTUZET-KOLCDFICSA-N 0 3 293.389 -1.503 20 0 CAADHN CCCCN(CC(N)=O)S(=O)(=O)N1CCNCC1 ZINC000040861133 656866771 /nfs/dbraw/zinc/86/67/71/656866771.db2.gz SYHNICSZHKCKKC-UHFFFAOYSA-N 0 3 278.378 -1.276 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C[C@@]1(C)CCS(=O)(=O)N1 ZINC000935979904 656866778 /nfs/dbraw/zinc/86/67/78/656866778.db2.gz BLCSMNGMQTUZET-MWLCHTKSSA-N 0 3 293.389 -1.503 20 0 CAADHN CN(CC(=O)NC(C)(C)C)S(=O)(=O)N1CCNCC1 ZINC000040860112 656866819 /nfs/dbraw/zinc/86/68/19/656866819.db2.gz FXUASCHUIPFRKZ-UHFFFAOYSA-N 0 3 292.405 -1.017 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)c2nnn(C)n2)CCN1CCO ZINC000947629746 656868760 /nfs/dbraw/zinc/86/87/60/656868760.db2.gz PAAYPCQJWUKERC-RKDXNWHRSA-N 0 3 268.321 -1.215 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)c2nnn(C)n2)CCN1CCO ZINC000947629745 656868973 /nfs/dbraw/zinc/86/89/73/656868973.db2.gz PAAYPCQJWUKERC-IUCAKERBSA-N 0 3 268.321 -1.215 20 0 CAADHN C[C@H]1C[C@H](NC(=O)c2ncn[nH]2)CCN1CC(N)=O ZINC000947828867 656869644 /nfs/dbraw/zinc/86/96/44/656869644.db2.gz JNGYLWUKTMZVRY-JGVFFNPUSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@H]1C[C@H](NC(=O)c2nc[nH]n2)CCN1CC(N)=O ZINC000947828867 656869647 /nfs/dbraw/zinc/86/96/47/656869647.db2.gz JNGYLWUKTMZVRY-JGVFFNPUSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)c2ncn[nH]2)CCN1CC(N)=O ZINC000947828866 656869769 /nfs/dbraw/zinc/86/97/69/656869769.db2.gz JNGYLWUKTMZVRY-HTQZYQBOSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)c2nc[nH]n2)CCN1CC(N)=O ZINC000947828866 656869770 /nfs/dbraw/zinc/86/97/70/656869770.db2.gz JNGYLWUKTMZVRY-HTQZYQBOSA-N 0 3 266.305 -1.127 20 0 CAADHN O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCN(CCO)CC1 ZINC000949380303 656877536 /nfs/dbraw/zinc/87/75/36/656877536.db2.gz DTQBOPXGCZENCC-JVWICGRDSA-N 0 3 295.383 -1.014 20 0 CAADHN CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)[C@@H]1CCCNC1=O ZINC001017199637 656878285 /nfs/dbraw/zinc/87/82/85/656878285.db2.gz KPMRNTZLLZAVPH-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1nnnc1CN1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000950787309 656884517 /nfs/dbraw/zinc/88/45/17/656884517.db2.gz LUJSZSAMSKMNED-UHFFFAOYSA-N 0 3 290.331 -1.180 20 0 CAADHN C[C@@H](C(N)=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000950732249 656884627 /nfs/dbraw/zinc/88/46/27/656884627.db2.gz HCOKCCOMFXYAAC-VIFPVBQESA-N 0 3 265.317 -1.030 20 0 CAADHN O=C(CCc1cnn[nH]1)N1CCN(CCO)CC1 ZINC000950586657 656884794 /nfs/dbraw/zinc/88/47/94/656884794.db2.gz BLAPMKJDECWLRT-UHFFFAOYSA-N 0 3 253.306 -1.126 20 0 CAADHN O=C(Cc1c[nH]cn1)N1CCN([C@@H]2CCNC2=O)CC1 ZINC000950808425 656884856 /nfs/dbraw/zinc/88/48/56/656884856.db2.gz UKNSFXSYIQZLEH-LLVKDONJSA-N 0 3 277.328 -1.015 20 0 CAADHN C[C@H](C(N)=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000950732248 656884880 /nfs/dbraw/zinc/88/48/80/656884880.db2.gz HCOKCCOMFXYAAC-SECBINFHSA-N 0 3 265.317 -1.030 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000951855769 656891851 /nfs/dbraw/zinc/89/18/51/656891851.db2.gz CSDXFCCBAKUCMN-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C(=O)C[C@H]1CC(=O)NC1=O)C1CCN(CCO)CC1 ZINC001006483646 656893491 /nfs/dbraw/zinc/89/34/91/656893491.db2.gz YURFBDHTHSNRCD-SNVBAGLBSA-N 0 3 297.355 -1.046 20 0 CAADHN O=C(CCN1CCCNC(=O)C1)N1CCNCC1 ZINC000087884161 656896958 /nfs/dbraw/zinc/89/69/58/656896958.db2.gz GORDCTKPOLYATP-UHFFFAOYSA-N 0 3 254.334 -1.370 20 0 CAADHN C[C@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C(N)=O)C1 ZINC000955161176 656899296 /nfs/dbraw/zinc/89/92/96/656899296.db2.gz HLEAJBSVVSYTPE-VIFPVBQESA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N1CC(N(C)C(=O)C(N)=O)C1 ZINC000955161170 656899741 /nfs/dbraw/zinc/89/97/41/656899741.db2.gz HLEAJBSVVSYTPE-SECBINFHSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)C(N)=O)C2)C1 ZINC000955343587 656901743 /nfs/dbraw/zinc/90/17/43/656901743.db2.gz DQRLEUAHAKFZAT-VIFPVBQESA-N 0 3 282.344 -1.517 20 0 CAADHN C[C@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C(N)=O)C1 ZINC000955342323 656902200 /nfs/dbraw/zinc/90/22/00/656902200.db2.gz XACFJCJWMWHNCS-VIFPVBQESA-N 0 3 282.344 -1.375 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)C1CCOCC1 ZINC000957792688 656925369 /nfs/dbraw/zinc/92/53/69/656925369.db2.gz FCLANMGMNQWCSO-VXGBXAGGSA-N 0 3 272.345 -1.186 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)C1=COCCO1 ZINC000957842726 656926402 /nfs/dbraw/zinc/92/64/02/656926402.db2.gz NQQRTCQPZPXWKO-VHSXEESVSA-N 0 3 272.301 -1.724 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cn1 ZINC000957865236 656927434 /nfs/dbraw/zinc/92/74/34/656927434.db2.gz YFOVLONYBRDCKC-KOLCDFICSA-N 0 3 268.317 -1.565 20 0 CAADHN Cc1cnc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cn1 ZINC000957842981 656927635 /nfs/dbraw/zinc/92/76/35/656927635.db2.gz QDXSTRZUAUTKSB-JQWIXIFHSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)C1=COCCO1 ZINC000957842725 656928336 /nfs/dbraw/zinc/92/83/36/656928336.db2.gz NQQRTCQPZPXWKO-UWVGGRQHSA-N 0 3 272.301 -1.724 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cn1 ZINC000957865238 656929012 /nfs/dbraw/zinc/92/90/12/656929012.db2.gz YFOVLONYBRDCKC-MWLCHTKSSA-N 0 3 268.317 -1.565 20 0 CAADHN Cc1c(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cnn1C ZINC000957878251 656929093 /nfs/dbraw/zinc/92/90/93/656929093.db2.gz JGVNZTDXMLOQAJ-PWSUYJOCSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cc[n+]([O-])cc1 ZINC000957847384 656929303 /nfs/dbraw/zinc/92/93/03/656929303.db2.gz QHIJLUJNMDBPEG-NEPJUHHUSA-N 0 3 281.312 -1.665 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cn1 ZINC000957865239 656929521 /nfs/dbraw/zinc/92/95/21/656929521.db2.gz YFOVLONYBRDCKC-ONGXEEELSA-N 0 3 268.317 -1.565 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)on1 ZINC000957859908 656929562 /nfs/dbraw/zinc/92/95/62/656929562.db2.gz WQZACDZBPRFQIH-ZJUUUORDSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)no1 ZINC000957846602 656929721 /nfs/dbraw/zinc/92/97/21/656929721.db2.gz IJBBVYBKKJILRY-GXSJLCMTSA-N 0 3 269.301 -1.002 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC000957847213 656929848 /nfs/dbraw/zinc/92/98/48/656929848.db2.gz OEMJBNIHCLVRPC-WPRPVWTQSA-N 0 3 282.300 -1.803 20 0 CAADHN Cc1ncncc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000957906050 656930658 /nfs/dbraw/zinc/93/06/58/656930658.db2.gz OVCNKBNLSDMKDL-CMPLNLGQSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1ccn[nH]1 ZINC000957883483 656930988 /nfs/dbraw/zinc/93/09/88/656930988.db2.gz UVTFLEZFNQAQNS-SCZZXKLOSA-N 0 3 254.290 -1.576 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1ccon1 ZINC000957902118 656931014 /nfs/dbraw/zinc/93/10/14/656931014.db2.gz MOVJGBYKMYVQRN-PSASIEDQSA-N 0 3 255.274 -1.311 20 0 CAADHN O=C(NC[C@H]1CN(CCCO)C[C@@H]1O)c1cnsn1 ZINC000957901961 656931229 /nfs/dbraw/zinc/93/12/29/656931229.db2.gz KBDZASNZASQCCX-WPRPVWTQSA-N 0 3 286.357 -1.057 20 0 CAADHN O=C(NC[C@H]1CN(CCCO)C[C@@H]1O)c1cnns1 ZINC000957887438 656931250 /nfs/dbraw/zinc/93/12/50/656931250.db2.gz YBQXCJHQSAHAPQ-IUCAKERBSA-N 0 3 286.357 -1.057 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cnsn1 ZINC000957901787 656931445 /nfs/dbraw/zinc/93/14/45/656931445.db2.gz HQDRRZBHOPKTJQ-CBAPKCEASA-N 0 3 272.330 -1.447 20 0 CAADHN Cn1nccc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000957905408 656931656 /nfs/dbraw/zinc/93/16/56/656931656.db2.gz HKBIYQKFWWICJM-MWLCHTKSSA-N 0 3 268.317 -1.565 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cn[nH]c1 ZINC000957890691 656932443 /nfs/dbraw/zinc/93/24/43/656932443.db2.gz QVICJKMWDRATOQ-UWVGGRQHSA-N 0 3 254.290 -1.576 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cnns1 ZINC000957886716 656932471 /nfs/dbraw/zinc/93/24/71/656932471.db2.gz MSMSQSZMHQMPDJ-SFYZADRCSA-N 0 3 272.330 -1.447 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)[nH]n1 ZINC000957910444 656934070 /nfs/dbraw/zinc/93/40/70/656934070.db2.gz KKCQGINSDWAITD-MWLCHTKSSA-N 0 3 268.317 -1.267 20 0 CAADHN Cc1ncncc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000957906052 656934401 /nfs/dbraw/zinc/93/44/01/656934401.db2.gz OVCNKBNLSDMKDL-PWSUYJOCSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cocn1 ZINC000957915823 656935272 /nfs/dbraw/zinc/93/52/72/656935272.db2.gz YRFWTYCNVDRMFS-WCBMZHEXSA-N 0 3 255.274 -1.311 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)[nH]n1 ZINC000957910445 656935332 /nfs/dbraw/zinc/93/53/32/656935332.db2.gz KKCQGINSDWAITD-ONGXEEELSA-N 0 3 268.317 -1.267 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000957936582 656936784 /nfs/dbraw/zinc/93/67/84/656936784.db2.gz XIQJDLCUBAETMV-JQWIXIFHSA-N 0 3 282.344 -1.257 20 0 CAADHN Cc1c(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)nnn1C ZINC000957953225 656936897 /nfs/dbraw/zinc/93/68/97/656936897.db2.gz KCVOWSYGSXQLIX-UWVGGRQHSA-N 0 3 283.332 -1.862 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cc[nH]c(=O)c1 ZINC000957956706 656937398 /nfs/dbraw/zinc/93/73/98/656937398.db2.gz FVYNZZMMPSTBAV-QWRGUYRKSA-N 0 3 281.312 -1.198 20 0 CAADHN Cn1cnc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)c1 ZINC000957983842 656938991 /nfs/dbraw/zinc/93/89/91/656938991.db2.gz WRYGOJSKUQSILC-GXSJLCMTSA-N 0 3 268.317 -1.565 20 0 CAADHN Cc1nc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)co1 ZINC000958004132 656940367 /nfs/dbraw/zinc/94/03/67/656940367.db2.gz DINPMNDQJUMXMT-GXSJLCMTSA-N 0 3 269.301 -1.002 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cncnc1 ZINC000957989683 656940457 /nfs/dbraw/zinc/94/04/57/656940457.db2.gz HJAIUOBMWUVDKH-QWRGUYRKSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)C1=CCOCC1 ZINC000957992820 656941446 /nfs/dbraw/zinc/94/14/46/656941446.db2.gz ZINRGJPCHHVLSC-NWDGAFQWSA-N 0 3 270.329 -1.266 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cnn1 ZINC000957992098 656941550 /nfs/dbraw/zinc/94/15/50/656941550.db2.gz VKJXJLDUWWOKEQ-NEPJUHHUSA-N 0 3 280.328 -1.200 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)c1N ZINC000957995129 656941832 /nfs/dbraw/zinc/94/18/32/656941832.db2.gz LCWBMOSEXUSXJM-SCZZXKLOSA-N 0 3 283.332 -1.983 20 0 CAADHN Cc1ccnc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958031141 656942655 /nfs/dbraw/zinc/94/26/55/656942655.db2.gz NUHCPUREJSFJIM-MNOVXSKESA-N 0 3 280.328 -1.200 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)nn1 ZINC000958062510 656943445 /nfs/dbraw/zinc/94/34/45/656943445.db2.gz GNXXUNQEWAJJOF-PWSUYJOCSA-N 0 3 280.328 -1.200 20 0 CAADHN Cn1cnc(C(=O)NC[C@H]2CN(CCCO)C[C@@H]2O)n1 ZINC000958025024 656943644 /nfs/dbraw/zinc/94/36/44/656943644.db2.gz MHKALIZIZANDQG-UWVGGRQHSA-N 0 3 283.332 -1.780 20 0 CAADHN Cn1nncc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958036905 656944228 /nfs/dbraw/zinc/94/42/28/656944228.db2.gz WOBRCTSTKRVWQQ-WPRPVWTQSA-N 0 3 269.305 -2.170 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H]2CN(CCCO)C[C@H]2O)n1 ZINC000958025023 656944251 /nfs/dbraw/zinc/94/42/51/656944251.db2.gz MHKALIZIZANDQG-NXEZZACHSA-N 0 3 283.332 -1.780 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)nn1 ZINC000958062511 656944387 /nfs/dbraw/zinc/94/43/87/656944387.db2.gz GNXXUNQEWAJJOF-ZYHUDNBSSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cn2c(n1)CCC2 ZINC000958080920 656945584 /nfs/dbraw/zinc/94/55/84/656945584.db2.gz GPEUILABIPZNHG-JQWIXIFHSA-N 0 3 294.355 -1.156 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958063579 656945721 /nfs/dbraw/zinc/94/57/21/656945721.db2.gz NVYPDABHPAVOAL-WDEREUQCSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cc2n(n1)CCC2 ZINC000958126049 656946058 /nfs/dbraw/zinc/94/60/58/656946058.db2.gz GUNFGALKDRQKDY-GWCFXTLKSA-N 0 3 294.355 -1.156 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cnn2c1CCC2 ZINC000958122371 656946295 /nfs/dbraw/zinc/94/62/95/656946295.db2.gz UYDLTLIQWNVRAU-MFKMUULPSA-N 0 3 294.355 -1.156 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC000958160830 656947289 /nfs/dbraw/zinc/94/72/89/656947289.db2.gz FFGUHNJCZUXQJX-NXEZZACHSA-N 0 3 282.300 -1.803 20 0 CAADHN O=C(NC[C@H]1C[N@H+](CCO)C[C@@H]1O)c1cnc[n-]c1=O ZINC000958172376 656947358 /nfs/dbraw/zinc/94/73/58/656947358.db2.gz TUHZVPMILYVWDK-WPRPVWTQSA-N 0 3 282.300 -1.803 20 0 CAADHN O=C(NC[C@H]1C[N@@H+](CCO)C[C@@H]1O)c1cnc[n-]c1=O ZINC000958172376 656947368 /nfs/dbraw/zinc/94/73/68/656947368.db2.gz TUHZVPMILYVWDK-WPRPVWTQSA-N 0 3 282.300 -1.803 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958161583 656947436 /nfs/dbraw/zinc/94/74/36/656947436.db2.gz LENXYULYYBUVDX-WDEREUQCSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC000958160831 656948045 /nfs/dbraw/zinc/94/80/45/656948045.db2.gz FFGUHNJCZUXQJX-UWVGGRQHSA-N 0 3 282.300 -1.803 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cc1=O ZINC000958183209 656948722 /nfs/dbraw/zinc/94/87/22/656948722.db2.gz MMYNDAHJKLUPKH-VXGBXAGGSA-N 0 3 295.339 -1.600 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000958182099 656948794 /nfs/dbraw/zinc/94/87/94/656948794.db2.gz VXEFUUQVTLQYCK-QCBRBAQYSA-N 0 3 291.315 -2.392 20 0 CAADHN Cn1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cc1=O ZINC000958183207 656948928 /nfs/dbraw/zinc/94/89/28/656948928.db2.gz MMYNDAHJKLUPKH-NWDGAFQWSA-N 0 3 295.339 -1.600 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000958182098 656948988 /nfs/dbraw/zinc/94/89/88/656948988.db2.gz VXEFUUQVTLQYCK-LOKLDPHHSA-N 0 3 291.315 -2.392 20 0 CAADHN O=C(Cn1cccn1)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000958237360 656950886 /nfs/dbraw/zinc/95/08/86/656950886.db2.gz MHFPKPKTOMHTNO-XZUYRWCXSA-N 0 3 289.339 -1.182 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)o1 ZINC000958240015 656951204 /nfs/dbraw/zinc/95/12/04/656951204.db2.gz XEFTVKMEGGQXOF-DTWKUNHWSA-N 0 3 297.311 -1.607 20 0 CAADHN O=C(Cn1cccn1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958240713 656951371 /nfs/dbraw/zinc/95/13/71/656951371.db2.gz FEHIZHUVNPPOAO-IAZYJMLFSA-N 0 3 250.302 -1.078 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1n[nH]c2c1CCC2 ZINC000958211135 656951440 /nfs/dbraw/zinc/95/14/40/656951440.db2.gz YTRZNDXZIOUOSX-JOYOIKCWSA-N 0 3 294.355 -1.087 20 0 CAADHN COc1nccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958249620 656952470 /nfs/dbraw/zinc/95/24/70/656952470.db2.gz VYNLUBVYYNGGHX-ONGXEEELSA-N 0 3 296.327 -1.500 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1csnn1 ZINC000958289436 656952685 /nfs/dbraw/zinc/95/26/85/656952685.db2.gz VPFQSDKHDJIIQA-VXNVDRBHSA-N 0 3 272.330 -1.447 20 0 CAADHN O=C(NC[C@H]1CN(CCCO)C[C@@H]1O)c1csnn1 ZINC000958289404 656952803 /nfs/dbraw/zinc/95/28/03/656952803.db2.gz VCVQIPTYYFOCOE-WPRPVWTQSA-N 0 3 286.357 -1.057 20 0 CAADHN COc1nc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)co1 ZINC000958283889 656952996 /nfs/dbraw/zinc/95/29/96/656952996.db2.gz SBJDXNBVYHFVQF-SCZZXKLOSA-N 0 3 285.300 -1.302 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)co1 ZINC000958282069 656953045 /nfs/dbraw/zinc/95/30/45/656953045.db2.gz UVIWZIMBXFIXRP-ZJUUUORDSA-N 0 3 297.311 -1.607 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1COCCO1 ZINC000958292951 656953103 /nfs/dbraw/zinc/95/31/03/656953103.db2.gz PQESFPYRDCHXEC-ZRUFSTJUSA-N 0 3 256.302 -1.560 20 0 CAADHN COc1nc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)co1 ZINC000958283888 656954124 /nfs/dbraw/zinc/95/41/24/656954124.db2.gz SBJDXNBVYHFVQF-PSASIEDQSA-N 0 3 285.300 -1.302 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1csnn1 ZINC000958289433 656954416 /nfs/dbraw/zinc/95/44/16/656954416.db2.gz VPFQSDKHDJIIQA-APPZFPTMSA-N 0 3 272.330 -1.447 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958309322 656954823 /nfs/dbraw/zinc/95/48/23/656954823.db2.gz JZJJQKSQNURFBI-KOLCDFICSA-N 0 3 298.343 -1.557 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)c1ccn[nH]1 ZINC000958298073 656954967 /nfs/dbraw/zinc/95/49/67/656954967.db2.gz OWBFEVFQFZTPRF-GISOBZBCSA-N 0 3 275.312 -1.042 20 0 CAADHN Cn1c(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)c[nH]c1=O ZINC000958309401 656955553 /nfs/dbraw/zinc/95/55/53/656955553.db2.gz LFZOSPKAUNQPEG-PSASIEDQSA-N 0 3 284.316 -1.860 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958309166 656956590 /nfs/dbraw/zinc/95/65/90/656956590.db2.gz HVMDKLWWDNIYFG-KOLCDFICSA-N 0 3 268.317 -1.267 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958320925 656957711 /nfs/dbraw/zinc/95/77/11/656957711.db2.gz RDWWZHDSRBCFHF-WDEREUQCSA-N 0 3 282.344 -1.257 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1C[N@H+](CCO)C[C@@H]1O ZINC000958344367 656959680 /nfs/dbraw/zinc/95/96/80/656959680.db2.gz GVOCSTIFONQDEX-ZJUUUORDSA-N 0 3 296.327 -1.495 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958344367 656959688 /nfs/dbraw/zinc/95/96/88/656959688.db2.gz GVOCSTIFONQDEX-ZJUUUORDSA-N 0 3 296.327 -1.495 20 0 CAADHN Cn1nnc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958329470 656959762 /nfs/dbraw/zinc/95/97/62/656959762.db2.gz ZJZGMXNVBYHGAU-JGVFFNPUSA-N 0 3 270.293 -2.775 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H]2CN(CCCO)C[C@@H]2O)n1 ZINC000958328878 656960557 /nfs/dbraw/zinc/96/05/57/656960557.db2.gz OMUZRCHXBCMPIO-BDAKNGLRSA-N 0 3 284.320 -2.385 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000958326430 656960585 /nfs/dbraw/zinc/96/05/85/656960585.db2.gz UEIPEMBJWYGKPR-ZIQFBCGOSA-N 0 3 270.329 -1.720 20 0 CAADHN Cn1nnc(C(=O)NC[C@H]2CN(CCCO)C[C@H]2O)n1 ZINC000958328879 656961682 /nfs/dbraw/zinc/96/16/82/656961682.db2.gz OMUZRCHXBCMPIO-DTWKUNHWSA-N 0 3 284.320 -2.385 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1csc(=O)[nH]1 ZINC000958333707 656961719 /nfs/dbraw/zinc/96/17/19/656961719.db2.gz JDZJLDPLZYNAOV-IONNQARKSA-N 0 3 287.341 -1.137 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958329472 656961910 /nfs/dbraw/zinc/96/19/10/656961910.db2.gz ZJZGMXNVBYHGAU-SFYZADRCSA-N 0 3 270.293 -2.775 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)[nH]c1=O ZINC000958378535 656962782 /nfs/dbraw/zinc/96/27/82/656962782.db2.gz KPOOCZCEYOXYBO-PSASIEDQSA-N 0 3 284.316 -1.860 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)[nH]c1=O ZINC000958378537 656964509 /nfs/dbraw/zinc/96/45/09/656964509.db2.gz KPOOCZCEYOXYBO-WCBMZHEXSA-N 0 3 284.316 -1.860 20 0 CAADHN Cc1nocc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958370421 656964678 /nfs/dbraw/zinc/96/46/78/656964678.db2.gz PUIIGGJICYUOMK-GXSJLCMTSA-N 0 3 269.301 -1.002 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1n[nH]cc1F ZINC000958384451 656965204 /nfs/dbraw/zinc/96/52/04/656965204.db2.gz HWULJFMYDRKJID-CBAPKCEASA-N 0 3 272.280 -1.436 20 0 CAADHN Cn1c(=O)cccc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958394541 656965386 /nfs/dbraw/zinc/96/53/86/656965386.db2.gz FPFFWLHNZGPKSI-ZYHUDNBSSA-N 0 3 295.339 -1.600 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1ccnnc1 ZINC000958421865 656965473 /nfs/dbraw/zinc/96/54/73/656965473.db2.gz ASNNCCJKURVWRU-MNOVXSKESA-N 0 3 266.301 -1.509 20 0 CAADHN Cn1c(=O)cccc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958394538 656965621 /nfs/dbraw/zinc/96/56/21/656965621.db2.gz FPFFWLHNZGPKSI-CMPLNLGQSA-N 0 3 295.339 -1.600 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1n[nH]cc1F ZINC000958384452 656965658 /nfs/dbraw/zinc/96/56/58/656965658.db2.gz HWULJFMYDRKJID-IONNQARKSA-N 0 3 272.280 -1.436 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1n[nH]cc1F ZINC000958384450 656966062 /nfs/dbraw/zinc/96/60/62/656966062.db2.gz HWULJFMYDRKJID-APPZFPTMSA-N 0 3 272.280 -1.436 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)[nH]1 ZINC000958409598 656966293 /nfs/dbraw/zinc/96/62/93/656966293.db2.gz VFTFJOPEVOSBPB-KWQFWETISA-N 0 3 296.327 -1.872 20 0 CAADHN O=C(Cc1cc[nH]n1)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000958457002 656966785 /nfs/dbraw/zinc/96/67/85/656966785.db2.gz RCRCCORERHUXGI-XZUYRWCXSA-N 0 3 289.339 -1.113 20 0 CAADHN Cc1c(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)nnn1C ZINC000958465014 656966830 /nfs/dbraw/zinc/96/68/30/656966830.db2.gz FCJMYSYUWOGAGW-JZYVYDRUSA-N 0 3 265.317 -1.224 20 0 CAADHN O=C(Cc1cc[nH]n1)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000958457001 656967222 /nfs/dbraw/zinc/96/72/22/656967222.db2.gz RCRCCORERHUXGI-SRRSOLGSSA-N 0 3 289.339 -1.113 20 0 CAADHN Cn1ncc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958481817 656967242 /nfs/dbraw/zinc/96/72/42/656967242.db2.gz SQQJFBSAUHRJOE-WCBMZHEXSA-N 0 3 269.305 -2.170 20 0 CAADHN COc1cncc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958464046 656967392 /nfs/dbraw/zinc/96/73/92/656967392.db2.gz SSRJXJNHGNAQRL-MWLCHTKSSA-N 0 3 296.327 -1.500 20 0 CAADHN COc1cncc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958464044 656967521 /nfs/dbraw/zinc/96/75/21/656967521.db2.gz SSRJXJNHGNAQRL-GXSJLCMTSA-N 0 3 296.327 -1.500 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958472451 656968229 /nfs/dbraw/zinc/96/82/29/656968229.db2.gz UWIGAYLNIXIWJZ-UWVGGRQHSA-N 0 3 268.317 -1.267 20 0 CAADHN O=C(NC[C@H]1CN(CCF)C[C@H]1O)c1ncn[nH]1 ZINC000958503116 656968647 /nfs/dbraw/zinc/96/86/47/656968647.db2.gz OLIXJUXZXMQQTE-JGVFFNPUSA-N 0 3 257.269 -1.203 20 0 CAADHN O=C(NC[C@H]1CN(CCF)C[C@H]1O)c1nc[nH]n1 ZINC000958503116 656968655 /nfs/dbraw/zinc/96/86/55/656968655.db2.gz OLIXJUXZXMQQTE-JGVFFNPUSA-N 0 3 257.269 -1.203 20 0 CAADHN O=C(NC[C@@H]1CN(CCF)C[C@H]1O)c1ncn[nH]1 ZINC000958503115 656969850 /nfs/dbraw/zinc/96/98/50/656969850.db2.gz OLIXJUXZXMQQTE-HTQZYQBOSA-N 0 3 257.269 -1.203 20 0 CAADHN O=C(NC[C@@H]1CN(CCF)C[C@H]1O)c1nc[nH]n1 ZINC000958503115 656969857 /nfs/dbraw/zinc/96/98/57/656969857.db2.gz OLIXJUXZXMQQTE-HTQZYQBOSA-N 0 3 257.269 -1.203 20 0 CAADHN O=C(NC[C@@H]1CN(CCCO)C[C@H]1O)c1cnon1 ZINC000958506556 656970123 /nfs/dbraw/zinc/97/01/23/656970123.db2.gz FPRLCVIUQRYNNK-PSASIEDQSA-N 0 3 270.289 -1.526 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1ccncn1 ZINC000958506365 656970302 /nfs/dbraw/zinc/97/03/02/656970302.db2.gz DDSLOUUXFSVTRA-KOLCDFICSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cccnn1 ZINC000958518296 656971263 /nfs/dbraw/zinc/97/12/63/656971263.db2.gz AXJTZKPQBCVWCK-ONGXEEELSA-N 0 3 266.301 -1.509 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)c1 ZINC000958526635 656973947 /nfs/dbraw/zinc/97/39/47/656973947.db2.gz ROMMMSXTYHSGIK-KOLCDFICSA-N 0 3 296.327 -1.872 20 0 CAADHN COc1ncc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cn1 ZINC000958564735 656974284 /nfs/dbraw/zinc/97/42/84/656974284.db2.gz YOFRGYNBESUYPX-WDEREUQCSA-N 0 3 296.327 -1.500 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cnn2cc[nH]c12 ZINC000958617447 656975783 /nfs/dbraw/zinc/97/57/83/656975783.db2.gz CXNNLENZCRPAOA-MWLCHTKSSA-N 0 3 293.327 -1.323 20 0 CAADHN O=C(CN1CCOCC1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958607822 656975965 /nfs/dbraw/zinc/97/59/65/656975965.db2.gz FZCGSZXLJYBXTG-PJXYFTJBSA-N 0 3 269.345 -1.643 20 0 CAADHN COc1c(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cnn1C ZINC000958626711 656977091 /nfs/dbraw/zinc/97/70/91/656977091.db2.gz QBDOQEMGJPZRRJ-ONGXEEELSA-N 0 3 298.343 -1.557 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1ccc(=O)[nH]c1 ZINC000958644362 656977499 /nfs/dbraw/zinc/97/74/99/656977499.db2.gz JFMNLAYHUSWHME-QWRGUYRKSA-N 0 3 281.312 -1.198 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958676899 656977619 /nfs/dbraw/zinc/97/76/19/656977619.db2.gz IBKOJUQFUKYITL-KOLCDFICSA-N 0 3 268.317 -1.565 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1ccc(=O)[nH]c1 ZINC000958644361 656977691 /nfs/dbraw/zinc/97/76/91/656977691.db2.gz JFMNLAYHUSWHME-MNOVXSKESA-N 0 3 281.312 -1.198 20 0 CAADHN Cn1nc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)ccc1=O ZINC000958650261 656977764 /nfs/dbraw/zinc/97/77/64/656977764.db2.gz UWFYIQQNEYYJCN-MWLCHTKSSA-N 0 3 296.327 -2.205 20 0 CAADHN Cn1nc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)ccc1=O ZINC000958650259 656977810 /nfs/dbraw/zinc/97/78/10/656977810.db2.gz UWFYIQQNEYYJCN-GXSJLCMTSA-N 0 3 296.327 -2.205 20 0 CAADHN Cn1nncc1C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000958746406 656978387 /nfs/dbraw/zinc/97/83/87/656978387.db2.gz FZTMRZVUFAOHQL-LOKLDPHHSA-N 0 3 290.327 -1.636 20 0 CAADHN Cc1nccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958697424 656978585 /nfs/dbraw/zinc/97/85/85/656978585.db2.gz QGWVWTPICPSQBP-ZYHUDNBSSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1COC(=O)N1 ZINC000958742072 656978639 /nfs/dbraw/zinc/97/86/39/656978639.db2.gz NXJOWJIQHTUQDI-XAVMHZPKSA-N 0 3 255.274 -1.867 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n(C)c1=O ZINC000958737375 656978699 /nfs/dbraw/zinc/97/86/99/656978699.db2.gz ZTWVBVUUUDBQBO-GXSJLCMTSA-N 0 3 298.343 -2.261 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n(C)c1=O ZINC000958737378 656978738 /nfs/dbraw/zinc/97/87/38/656978738.db2.gz ZTWVBVUUUDBQBO-ONGXEEELSA-N 0 3 298.343 -2.261 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n(C)c1=O ZINC000958737376 656979023 /nfs/dbraw/zinc/97/90/23/656979023.db2.gz ZTWVBVUUUDBQBO-KOLCDFICSA-N 0 3 298.343 -2.261 20 0 CAADHN Cc1nonc1C(=O)NC[C@H]1CN(CCCO)C[C@H]1O ZINC000958759409 656979653 /nfs/dbraw/zinc/97/96/53/656979653.db2.gz ZYANKYSRYWJYFY-VHSXEESVSA-N 0 3 284.316 -1.217 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)n1 ZINC000958761535 656980122 /nfs/dbraw/zinc/98/01/22/656980122.db2.gz XKYPONQMWTYUKL-BRPSZJMVSA-N 0 3 251.290 -1.533 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958766225 656980608 /nfs/dbraw/zinc/98/06/08/656980608.db2.gz IPWWSNRALDQVFX-VHSXEESVSA-N 0 3 268.317 -1.267 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000958787786 656982111 /nfs/dbraw/zinc/98/21/11/656982111.db2.gz QMTIEMFTTGRPQT-QCLAVDOMSA-N 0 3 290.327 -1.636 20 0 CAADHN Cc1nnc(CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)o1 ZINC000958782131 656982206 /nfs/dbraw/zinc/98/22/06/656982206.db2.gz AJRDFQWBSYWEOF-GDGBQDQQSA-N 0 3 266.301 -1.041 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000253075021 656988730 /nfs/dbraw/zinc/98/87/30/656988730.db2.gz QBFSVFCTTZPZOX-GARJFASQSA-N 0 3 285.344 -1.144 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000960105444 656991173 /nfs/dbraw/zinc/99/11/73/656991173.db2.gz LPDAAFGMUVAQPV-JZYVYDRUSA-N 0 3 251.290 -1.683 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000960112771 656992634 /nfs/dbraw/zinc/99/26/34/656992634.db2.gz NJHNVGHDKIMKFQ-MIZYBKAJSA-N 0 3 290.327 -1.787 20 0 CAADHN O=C(C[C@H]1CCNC1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000960254948 656993761 /nfs/dbraw/zinc/99/37/61/656993761.db2.gz KSOQDUUMCCMFFT-SVDPJWKOSA-N 0 3 267.329 -1.449 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000960305734 656994496 /nfs/dbraw/zinc/99/44/96/656994496.db2.gz KRHFEBRYROXDCN-IWIIMEHWSA-N 0 3 283.328 -2.116 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CCCC(=O)N1 ZINC000960448588 656995412 /nfs/dbraw/zinc/99/54/12/656995412.db2.gz XANPLEZLXNDOPI-KLBPJQLPSA-N 0 3 267.329 -1.306 20 0 CAADHN C[C@]1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCNC(=O)C1 ZINC000960554518 656997055 /nfs/dbraw/zinc/99/70/55/656997055.db2.gz QTLGOJYBVPOSIY-SVBLFDIKSA-N 0 3 281.356 -1.059 20 0 CAADHN Cn1cncc1C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000960843336 657000106 /nfs/dbraw/zinc/00/01/06/657000106.db2.gz FYZMEHFVNJLWQN-MIZYBKAJSA-N 0 3 289.339 -1.031 20 0 CAADHN C[C@]1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CNC(=O)C1 ZINC000961335384 657004095 /nfs/dbraw/zinc/00/40/95/657004095.db2.gz NDPYSAFFPXKTMT-UPBCOZELSA-N 0 3 267.329 -1.449 20 0 CAADHN Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000961447762 657005820 /nfs/dbraw/zinc/00/58/20/657005820.db2.gz WDORLMIWEPKTMD-MBTKJCJQSA-N 0 3 251.290 -1.235 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000961474778 657006275 /nfs/dbraw/zinc/00/62/75/657006275.db2.gz BLHNTTURAAGYKV-IWIIMEHWSA-N 0 3 282.344 -2.543 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CCNC1=O ZINC000961483902 657006561 /nfs/dbraw/zinc/00/65/61/657006561.db2.gz UHPSUJMFPDUSOU-IMSYWVGJSA-N 0 3 253.302 -1.839 20 0 CAADHN C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCC(=O)NC1 ZINC000961542413 657007167 /nfs/dbraw/zinc/00/71/67/657007167.db2.gz ABCOCXWDHSCDIH-IUCKATPISA-N 0 3 281.356 -1.059 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1[C@@H]2COC[C@@H]21 ZINC000961518745 657007208 /nfs/dbraw/zinc/00/72/08/657007208.db2.gz NNQKHOULZZJGMG-MRZWPUFCSA-N 0 3 252.314 -1.083 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@H]1[C@@H]2COC[C@@H]21 ZINC000961553568 657007356 /nfs/dbraw/zinc/00/73/56/657007356.db2.gz PNTMPFVQVLWQGV-AIGXORKKSA-N 0 3 291.351 -1.186 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000961509055 657007452 /nfs/dbraw/zinc/00/74/52/657007452.db2.gz XGQYSKHGXHIPRZ-XAVMHZPKSA-N 0 3 291.315 -2.241 20 0 CAADHN C[C@]1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCC(=O)NC1 ZINC000961542415 657007547 /nfs/dbraw/zinc/00/75/47/657007547.db2.gz ABCOCXWDHSCDIH-SVBLFDIKSA-N 0 3 281.356 -1.059 20 0 CAADHN NC(=O)Cc1occc1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000961602315 657007838 /nfs/dbraw/zinc/00/78/38/657007838.db2.gz TUWDIXSDTRVGPY-IWIIMEHWSA-N 0 3 293.323 -1.040 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000961634922 657008963 /nfs/dbraw/zinc/00/89/63/657008963.db2.gz DHVZAFVMDJQOHQ-FKSUSPILSA-N 0 3 252.274 -2.593 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC000961642563 657009563 /nfs/dbraw/zinc/00/95/63/657009563.db2.gz UCTVDYLOVNMEJA-UYXSQOIJSA-N 0 3 254.290 -2.294 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC000961660040 657011347 /nfs/dbraw/zinc/01/13/47/657011347.db2.gz REDDUCXBTWGZDS-JZYVYDRUSA-N 0 3 280.328 -1.860 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000961787831 657012256 /nfs/dbraw/zinc/01/22/56/657012256.db2.gz CIGUWVGGLKFYAX-KGDYZURWSA-N 0 3 253.302 -1.854 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000961785497 657012528 /nfs/dbraw/zinc/01/25/28/657012528.db2.gz FXMGAXVBNJYPMO-PUHVVEEASA-N 0 3 280.372 -1.140 20 0 CAADHN NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)[nH]1 ZINC000961779331 657012613 /nfs/dbraw/zinc/01/26/13/657012613.db2.gz IPOVDROJVHXOLO-VROVMSAKSA-N 0 3 278.312 -1.234 20 0 CAADHN O=C(Cc1c[nH]cn1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000961887831 657013099 /nfs/dbraw/zinc/01/30/99/657013099.db2.gz LRJIUEFVUTUEBH-IAZYJMLFSA-N 0 3 250.302 -1.009 20 0 CAADHN O=C(Cc1c[nH]cn1)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000961896289 657013354 /nfs/dbraw/zinc/01/33/54/657013354.db2.gz STNLMYAELZDBIF-XZUYRWCXSA-N 0 3 289.339 -1.113 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962021383 657014256 /nfs/dbraw/zinc/01/42/56/657014256.db2.gz PYECBSZVVMDRAF-DNJQJEMRSA-N 0 3 267.329 -1.306 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962021396 657014403 /nfs/dbraw/zinc/01/44/03/657014403.db2.gz PYECBSZVVMDRAF-QISWUMQESA-N 0 3 267.329 -1.306 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000962042290 657015262 /nfs/dbraw/zinc/01/52/62/657015262.db2.gz JVYMKXHRIHHWPX-GISOBZBCSA-N 0 3 290.327 -1.636 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)c1cnon1 ZINC000962111976 657016873 /nfs/dbraw/zinc/01/68/73/657016873.db2.gz UTSLLEHAJYFVSZ-KDDQHCCQSA-N 0 3 277.284 -1.382 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)c1 ZINC000962155479 657017097 /nfs/dbraw/zinc/01/70/97/657017097.db2.gz QVAVIRASLVDFFZ-JZYVYDRUSA-N 0 3 278.312 -1.234 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)c1cnon1 ZINC000962111977 657017244 /nfs/dbraw/zinc/01/72/44/657017244.db2.gz UTSLLEHAJYFVSZ-WPYKOPORSA-N 0 3 277.284 -1.382 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962250440 657017886 /nfs/dbraw/zinc/01/78/86/657017886.db2.gz JOOTYWRKFZRGDU-LITAXDCLSA-N 0 3 278.316 -1.733 20 0 CAADHN C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1nnc[nH]1 ZINC000962250437 657017925 /nfs/dbraw/zinc/01/79/25/657017925.db2.gz JOOTYWRKFZRGDU-LEQIOUOKSA-N 0 3 278.316 -1.733 20 0 CAADHN COc1nccc(CNCC2CC(NC(=O)C(N)=O)C2)n1 ZINC000962250591 657017940 /nfs/dbraw/zinc/01/79/40/657017940.db2.gz AMKFKPFKUSMEKD-UHFFFAOYSA-N 0 3 293.327 -1.045 20 0 CAADHN NC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962269339 657019009 /nfs/dbraw/zinc/01/90/09/657019009.db2.gz GINUTMSRJCCIKT-KXNHARMFSA-N 0 3 296.371 -1.042 20 0 CAADHN Cn1ccnc1CNCC1CC(NC(=O)C(N)=O)C1 ZINC000962252265 657019091 /nfs/dbraw/zinc/01/90/91/657019091.db2.gz SHJHJUQDGASKQT-UHFFFAOYSA-N 0 3 265.317 -1.110 20 0 CAADHN O=C(Cc1nnc[n-]1)NC1CC(C[NH2+][C@H]2CCNC2=O)C1 ZINC000962505156 657021305 /nfs/dbraw/zinc/02/13/05/657021305.db2.gz XVGXXTKQXVCPQD-RTBKNWGFSA-N 0 3 292.343 -1.280 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CCS(=O)(=O)N1 ZINC000962607427 657022199 /nfs/dbraw/zinc/02/21/99/657022199.db2.gz PKNVMTVBYYGVPX-RGOKHQFPSA-N 0 3 289.357 -2.283 20 0 CAADHN Cn1ccc(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)n1 ZINC000962563617 657022237 /nfs/dbraw/zinc/02/22/37/657022237.db2.gz GCNBWPVCOIOVNO-DMWPJOQESA-N 0 3 289.339 -1.031 20 0 CAADHN NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCCC1 ZINC000962558801 657022334 /nfs/dbraw/zinc/02/23/34/657022334.db2.gz XBJYHOCPNDBKTA-IWIIMEHWSA-N 0 3 266.345 -1.386 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CCc2nncn2C1 ZINC000962727130 657022950 /nfs/dbraw/zinc/02/29/50/657022950.db2.gz QHWPDYZGEANWSR-DCQANWLSSA-N 0 3 291.355 -1.121 20 0 CAADHN NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)nn1 ZINC000962764054 657023463 /nfs/dbraw/zinc/02/34/63/657023463.db2.gz OCXUJBPIBXJSBD-VROVMSAKSA-N 0 3 294.315 -2.584 20 0 CAADHN NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)cn1 ZINC000963038334 657023871 /nfs/dbraw/zinc/02/38/71/657023871.db2.gz VIWVFSACXUSVSC-IAZYJMLFSA-N 0 3 290.323 -1.167 20 0 CAADHN Cc1nonc1C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000963044091 657024434 /nfs/dbraw/zinc/02/44/34/657024434.db2.gz HIIZAYLSPDHWJA-QCBRBAQYSA-N 0 3 291.311 -1.073 20 0 CAADHN O=C(Cn1ccnc1)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000963017762 657024584 /nfs/dbraw/zinc/02/45/84/657024584.db2.gz JYZFIZCXNVRVLL-XZUYRWCXSA-N 0 3 289.339 -1.182 20 0 CAADHN NC(=O)CN1CCC[C@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963357949 657025010 /nfs/dbraw/zinc/02/50/10/657025010.db2.gz MRNQFOGVNOAKQW-ZJUUUORDSA-N 0 3 282.344 -1.340 20 0 CAADHN NC(=O)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963357946 657025662 /nfs/dbraw/zinc/02/56/62/657025662.db2.gz MRNQFOGVNOAKQW-NXEZZACHSA-N 0 3 282.344 -1.340 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@@H]1NC(=O)Cn1cnnn1 ZINC000964963875 657030565 /nfs/dbraw/zinc/03/05/65/657030565.db2.gz MICCRBFMMPSZTI-ZJUUUORDSA-N 0 3 268.321 -1.508 20 0 CAADHN C[C@H]1CCN(CCO)C[C@H]1NC(=O)Cn1cnnn1 ZINC000964963874 657031218 /nfs/dbraw/zinc/03/12/18/657031218.db2.gz MICCRBFMMPSZTI-VHSXEESVSA-N 0 3 268.321 -1.508 20 0 CAADHN C[C@H]1CCN(CCO)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000965920943 657035701 /nfs/dbraw/zinc/03/57/01/657035701.db2.gz BPORIZRAXQHWSS-UWVGGRQHSA-N 0 3 283.332 -1.197 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966129813 657035750 /nfs/dbraw/zinc/03/57/50/657035750.db2.gz FYUBOGWKRHFCEN-NXEZZACHSA-N 0 3 268.321 -1.508 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@@H]1NC(=O)Cn1ncnn1 ZINC000966129816 657036140 /nfs/dbraw/zinc/03/61/40/657036140.db2.gz FYUBOGWKRHFCEN-ZJUUUORDSA-N 0 3 268.321 -1.508 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@@H]1NC(=O)CN1CN=NC1=O ZINC000965920945 657036323 /nfs/dbraw/zinc/03/63/23/657036323.db2.gz BPORIZRAXQHWSS-ZJUUUORDSA-N 0 3 283.332 -1.197 20 0 CAADHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1NC(=O)C(N)=O ZINC000966500664 657040690 /nfs/dbraw/zinc/04/06/90/657040690.db2.gz JMZNNPNRAKFBJY-ZJUUUORDSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1NC(=O)C(N)=O ZINC000966520282 657041124 /nfs/dbraw/zinc/04/11/24/657041124.db2.gz IDLUXHCSOPCHIU-ONGXEEELSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)C2=COCCO2)C1)C(N)=O ZINC000966708716 657042217 /nfs/dbraw/zinc/04/22/17/657042217.db2.gz GLDHGGPFMYADOA-DTWKUNHWSA-N 0 3 269.301 -1.061 20 0 CAADHN O=C(C1=COCCO1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000966708873 657042600 /nfs/dbraw/zinc/04/26/00/657042600.db2.gz ITUOJJNONWFSJN-NXEZZACHSA-N 0 3 281.312 -1.046 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000966728897 657043004 /nfs/dbraw/zinc/04/30/04/657043004.db2.gz VIBIRTBFBNPFJH-SSDOTTSWSA-N 0 3 265.273 -1.528 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1)C(N)=O ZINC000966758124 657044828 /nfs/dbraw/zinc/04/48/28/657044828.db2.gz NLORSGUEDPGKFL-GXSJLCMTSA-N 0 3 278.312 -1.002 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC000966751058 657045249 /nfs/dbraw/zinc/04/52/49/657045249.db2.gz IWGALBPEBKBNPK-OIBJUYFYSA-N 0 3 293.327 -1.291 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC000966751062 657045286 /nfs/dbraw/zinc/04/52/86/657045286.db2.gz IWGALBPEBKBNPK-XVKPBYJWSA-N 0 3 293.327 -1.291 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@@H]1NC(=O)CN1CCOCC1=O ZINC000966754943 657045548 /nfs/dbraw/zinc/04/55/48/657045548.db2.gz UJBQITJEIJZTGL-NEPJUHHUSA-N 0 3 299.371 -1.336 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1)C(N)=O ZINC000966758126 657045704 /nfs/dbraw/zinc/04/57/04/657045704.db2.gz NLORSGUEDPGKFL-MWLCHTKSSA-N 0 3 278.312 -1.002 20 0 CAADHN C[C@H]1CCN(CCO)C[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC000967031986 657047018 /nfs/dbraw/zinc/04/70/18/657047018.db2.gz MHOAIMMVBAQGPQ-QWRGUYRKSA-N 0 3 297.359 -1.599 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)cn1 ZINC000966895637 657047170 /nfs/dbraw/zinc/04/71/70/657047170.db2.gz NCFPYDHOEZBYLL-SECBINFHSA-N 0 3 251.290 -1.291 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC000967031981 657047264 /nfs/dbraw/zinc/04/72/64/657047264.db2.gz MHOAIMMVBAQGPQ-GHMZBOCLSA-N 0 3 297.359 -1.599 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC000967156368 657047514 /nfs/dbraw/zinc/04/75/14/657047514.db2.gz QKQBERXGXUYQKH-SECBINFHSA-N 0 3 266.305 -1.656 20 0 CAADHN O=C(Cn1cccn1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000967056028 657047674 /nfs/dbraw/zinc/04/76/74/657047674.db2.gz QGHCSZIRKXDVQU-GHMZBOCLSA-N 0 3 277.328 -1.038 20 0 CAADHN C[C@H]1CCN(CCO)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC000967031987 657047765 /nfs/dbraw/zinc/04/77/65/657047765.db2.gz MHOAIMMVBAQGPQ-WDEREUQCSA-N 0 3 297.359 -1.599 20 0 CAADHN Cn1cncc1CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000966889894 657047869 /nfs/dbraw/zinc/04/78/69/657047869.db2.gz VOPRIXMGKKAJFC-SNVBAGLBSA-N 0 3 290.331 -1.203 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000966889708 657047954 /nfs/dbraw/zinc/04/79/54/657047954.db2.gz RMMINXQWMJUNOJ-RKDXNWHRSA-N 0 3 279.304 -2.248 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000967724847 657048740 /nfs/dbraw/zinc/04/87/40/657048740.db2.gz RYRRLHHKSMQOPX-NEPJUHHUSA-N 0 3 298.387 -1.763 20 0 CAADHN Cn1cc(CC(=O)N2CC[C@@H](NCC(N)=O)C2)cn1 ZINC000967665274 657048846 /nfs/dbraw/zinc/04/88/46/657048846.db2.gz MWPGAQTVHSXMFN-SNVBAGLBSA-N 0 3 265.317 -1.362 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC000967308531 657048881 /nfs/dbraw/zinc/04/88/81/657048881.db2.gz ARLRDTVRQWNCSS-ZCFIWIBFSA-N 0 3 255.303 -1.173 20 0 CAADHN CS(=O)(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000967424887 657049292 /nfs/dbraw/zinc/04/92/92/657049292.db2.gz SEFIBDBMVZTYPT-RKDXNWHRSA-N 0 3 289.357 -1.890 20 0 CAADHN Cn1cc(CN[C@@H]2CCN(C(=O)CC(N)=O)C2)cn1 ZINC000968106649 657050148 /nfs/dbraw/zinc/05/01/48/657050148.db2.gz XDSCDVKEXILBPJ-SNVBAGLBSA-N 0 3 265.317 -1.014 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000967766982 657050396 /nfs/dbraw/zinc/05/03/96/657050396.db2.gz IULNMRJNFXJWBK-KXUCPTDWSA-N 0 3 280.328 -1.656 20 0 CAADHN Cn1nccc1CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000968104256 657050489 /nfs/dbraw/zinc/05/04/89/657050489.db2.gz HTSHZRXPZWBVNF-SECBINFHSA-N 0 3 265.317 -1.014 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2nccnc2N)C1)C(N)=O ZINC000968028330 657051020 /nfs/dbraw/zinc/05/10/20/657051020.db2.gz RQJZDZQEEBJHFP-HTQZYQBOSA-N 0 3 278.316 -1.263 20 0 CAADHN Cn1cncc1CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000968105943 657051187 /nfs/dbraw/zinc/05/11/87/657051187.db2.gz PKMBZJKSIGUUHQ-SECBINFHSA-N 0 3 265.317 -1.014 20 0 CAADHN Cc1c(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)nnn1C ZINC000968236702 657051689 /nfs/dbraw/zinc/05/16/89/657051689.db2.gz AMMOTWGWICYHOR-NXEZZACHSA-N 0 3 292.343 -1.184 20 0 CAADHN Cc1c(C(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)nnn1C ZINC000968237528 657052458 /nfs/dbraw/zinc/05/24/58/657052458.db2.gz JSQDPZKJZANIOP-IONNQARKSA-N 0 3 280.332 -1.199 20 0 CAADHN Cc1c(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)nnn1C ZINC000968236707 657052464 /nfs/dbraw/zinc/05/24/64/657052464.db2.gz AMMOTWGWICYHOR-ZJUUUORDSA-N 0 3 292.343 -1.184 20 0 CAADHN C[C@@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)n1cncn1 ZINC000968453410 657052939 /nfs/dbraw/zinc/05/29/39/657052939.db2.gz IKOYHOYQLDTWNL-DTWKUNHWSA-N 0 3 266.305 -1.485 20 0 CAADHN C[C@H]1CCN(CCO)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000968417279 657053073 /nfs/dbraw/zinc/05/30/73/657053073.db2.gz FCYQYLSTDUTKME-GXSJLCMTSA-N 0 3 297.355 -1.142 20 0 CAADHN C[C@H]1CCN(CCO)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000968431722 657053116 /nfs/dbraw/zinc/05/31/16/657053116.db2.gz OQSLGPGMHJMICI-VHSXEESVSA-N 0 3 298.343 -1.643 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC000968419521 657053172 /nfs/dbraw/zinc/05/31/72/657053172.db2.gz MRTUUCKPHYWGHB-DTWKUNHWSA-N 0 3 269.301 -1.385 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000968431723 657053284 /nfs/dbraw/zinc/05/32/84/657053284.db2.gz OQSLGPGMHJMICI-ZJUUUORDSA-N 0 3 298.343 -1.643 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)c1N ZINC000968473480 657053997 /nfs/dbraw/zinc/05/39/97/657053997.db2.gz ULDHZHSTTAEDDP-PSASIEDQSA-N 0 3 292.343 -1.305 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1)C(N)=O ZINC000968473088 657054010 /nfs/dbraw/zinc/05/40/10/657054010.db2.gz PFOQZXFQLMRGQL-JGVFFNPUSA-N 0 3 280.332 -1.320 20 0 CAADHN O=C(CCn1ccnn1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000968514154 657054465 /nfs/dbraw/zinc/05/44/65/657054465.db2.gz KLGABWKQYSCTJR-GHMZBOCLSA-N 0 3 292.343 -1.253 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1)N1CCC1 ZINC000968556274 657054584 /nfs/dbraw/zinc/05/45/84/657054584.db2.gz SOTRUWAFQLXUJQ-ZJUUUORDSA-N 0 3 296.327 -1.482 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CCn2ccnn2)C1)C(N)=O ZINC000968506027 657054677 /nfs/dbraw/zinc/05/46/77/657054677.db2.gz MNDUKXNAXYOJEQ-NXEZZACHSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2ncn(C)n2)C1)C(N)=O ZINC000968571915 657054700 /nfs/dbraw/zinc/05/47/00/657054700.db2.gz GGKOKXHVEROBEL-HTQZYQBOSA-N 0 3 266.305 -1.507 20 0 CAADHN Cn1oc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)cc1=O ZINC000968515750 657054897 /nfs/dbraw/zinc/05/48/97/657054897.db2.gz IRWCZUUTTYGKBG-RKDXNWHRSA-N 0 3 294.311 -1.329 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC000968555820 657054929 /nfs/dbraw/zinc/05/49/29/657054929.db2.gz CYWJSCBKBHZIEC-RQJHMYQMSA-N 0 3 256.262 -2.229 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)nn1 ZINC000968576142 657055114 /nfs/dbraw/zinc/05/51/14/657055114.db2.gz UFKJURFRZRMERZ-SNVBAGLBSA-N 0 3 292.343 -1.149 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)n1 ZINC000968583255 657055888 /nfs/dbraw/zinc/05/58/88/657055888.db2.gz FPXCSARWJNOPIT-BDAKNGLRSA-N 0 3 278.316 -1.492 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000968683337 657055906 /nfs/dbraw/zinc/05/59/06/657055906.db2.gz GRJALRNKVYVVSF-NXEZZACHSA-N 0 3 293.331 -1.858 20 0 CAADHN Cc1cccn(CC(=O)N2CC[C@@H](NCC(N)=O)C2)c1=O ZINC000968650702 657055960 /nfs/dbraw/zinc/05/59/60/657055960.db2.gz KUKHKVRYTVNMKU-LLVKDONJSA-N 0 3 292.339 -1.167 20 0 CAADHN C[C@H]1CCN(CCO)C[C@@H]1NC(=O)CN1C(=O)CCC1=O ZINC000968632360 657055972 /nfs/dbraw/zinc/05/59/72/657055972.db2.gz ONQBKAPZFZAJGW-QWRGUYRKSA-N 0 3 297.355 -1.046 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)n1 ZINC000968583209 657056036 /nfs/dbraw/zinc/05/60/36/657056036.db2.gz CTJYAXPELZUJJI-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)n1 ZINC000968583257 657056081 /nfs/dbraw/zinc/05/60/81/657056081.db2.gz FPXCSARWJNOPIT-RKDXNWHRSA-N 0 3 278.316 -1.492 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)nn1 ZINC000968576292 657056249 /nfs/dbraw/zinc/05/62/49/657056249.db2.gz WYWGSEULHNHIOW-NXEZZACHSA-N 0 3 292.343 -1.102 20 0 CAADHN C[C@H]1CCN(CCO)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC000968632361 657056417 /nfs/dbraw/zinc/05/64/17/657056417.db2.gz ONQBKAPZFZAJGW-WDEREUQCSA-N 0 3 297.355 -1.046 20 0 CAADHN Cn1cncc1CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000968672696 657056517 /nfs/dbraw/zinc/05/65/17/657056517.db2.gz KHFOFZGCWIPVQU-SNVBAGLBSA-N 0 3 290.331 -1.203 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000968807686 657057439 /nfs/dbraw/zinc/05/74/39/657057439.db2.gz IQUAWALHBFFOHA-MRVPVSSYSA-N 0 3 252.278 -2.046 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000968732579 657057782 /nfs/dbraw/zinc/05/77/82/657057782.db2.gz PJVIBXLJBYYHMS-SSDOTTSWSA-N 0 3 295.303 -2.947 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000968994498 657058491 /nfs/dbraw/zinc/05/84/91/657058491.db2.gz MHRQEOXCPBBGNB-RKDXNWHRSA-N 0 3 268.317 -1.812 20 0 CAADHN Cc1c(CC(=O)N2CC[C@@H](NCC(N)=O)C2)cnn1C ZINC000968880999 657058602 /nfs/dbraw/zinc/05/86/02/657058602.db2.gz GTMIHCHMECFPEA-LLVKDONJSA-N 0 3 279.344 -1.053 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1)C(N)=O ZINC000968962114 657058653 /nfs/dbraw/zinc/05/86/53/657058653.db2.gz XFCPSNLRUKXFDT-DTWKUNHWSA-N 0 3 293.327 -1.542 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC000968927223 657058704 /nfs/dbraw/zinc/05/87/04/657058704.db2.gz WBEQFONPHSWMAV-MRVPVSSYSA-N 0 3 279.300 -1.435 20 0 CAADHN Cc1nn(C)cc1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968935442 657058786 /nfs/dbraw/zinc/05/87/86/657058786.db2.gz SSDTXRHPYVCBGR-LLVKDONJSA-N 0 3 279.344 -1.053 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1)C(N)=O ZINC000968930253 657058809 /nfs/dbraw/zinc/05/88/09/657058809.db2.gz STNGFGNSVHXOCP-NXEZZACHSA-N 0 3 298.343 -2.091 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC000968895446 657059045 /nfs/dbraw/zinc/05/90/45/657059045.db2.gz INFFYSMSPAXLMX-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1)C(N)=O ZINC000968926716 657059149 /nfs/dbraw/zinc/05/91/49/657059149.db2.gz KRBLVMKCGUAOFT-DTWKUNHWSA-N 0 3 293.327 -1.047 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1)C(N)=O ZINC000968926720 657059187 /nfs/dbraw/zinc/05/91/87/657059187.db2.gz KRBLVMKCGUAOFT-RKDXNWHRSA-N 0 3 293.327 -1.047 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC000968932537 657059466 /nfs/dbraw/zinc/05/94/66/657059466.db2.gz KNEHYAFKUVNPAX-MRVPVSSYSA-N 0 3 289.299 -1.358 20 0 CAADHN O=C(c1cnc[n-]c1=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000969038316 657059717 /nfs/dbraw/zinc/05/97/17/657059717.db2.gz KLVGGBREWGWNHD-PSASIEDQSA-N 0 3 291.311 -1.125 20 0 CAADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006682727 657060036 /nfs/dbraw/zinc/06/00/36/657060036.db2.gz IHZLUZLFXVQTBL-NXEZZACHSA-N 0 3 268.321 -1.366 20 0 CAADHN O=C([C@H]1CCCC(=O)N1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000969026727 657060113 /nfs/dbraw/zinc/06/01/13/657060113.db2.gz NHBADLCWKQUOPL-OUAUKWLOSA-N 0 3 294.355 -1.266 20 0 CAADHN O=C(c1cn[nH]c(=O)c1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000969007723 657060669 /nfs/dbraw/zinc/06/06/69/657060669.db2.gz JFMDKGTUXCPCEA-ZJUUUORDSA-N 0 3 291.311 -1.125 20 0 CAADHN C[C@H](O)CN1CCC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001006682732 657060766 /nfs/dbraw/zinc/06/07/66/657060766.db2.gz IHZLUZLFXVQTBL-VHSXEESVSA-N 0 3 268.321 -1.366 20 0 CAADHN O=C(c1cnc[n-]c1=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000969038317 657060784 /nfs/dbraw/zinc/06/07/84/657060784.db2.gz KLVGGBREWGWNHD-SCZZXKLOSA-N 0 3 291.311 -1.125 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1)C(N)=O ZINC000969007681 657060894 /nfs/dbraw/zinc/06/08/94/657060894.db2.gz GYBRCGFPJADOHR-VXNVDRBHSA-N 0 3 279.300 -1.140 20 0 CAADHN O=C(Cn1ncnn1)N[C@H]1CCCN(CCCO)C1 ZINC001007348521 657064363 /nfs/dbraw/zinc/06/43/63/657064363.db2.gz GJMVFVCEEPPYLK-JTQLQIEISA-N 0 3 268.321 -1.364 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCCN(CCO)C1 ZINC001007520031 657065149 /nfs/dbraw/zinc/06/51/49/657065149.db2.gz WONAEARHDQNRQO-IUCAKERBSA-N 0 3 284.316 -1.843 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@H]1CCCN(CCCO)C1 ZINC001007504837 657065372 /nfs/dbraw/zinc/06/53/72/657065372.db2.gz OFSUWZITEJITFS-LBPRGKRZSA-N 0 3 299.371 -1.192 20 0 CAADHN C[C@@H](O)CN1CCC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001008181592 657070785 /nfs/dbraw/zinc/07/07/85/657070785.db2.gz GCWRKIFOLQRNDF-NEPJUHHUSA-N 0 3 298.387 -1.620 20 0 CAADHN C[C@@H](O)CN1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001008900012 657077107 /nfs/dbraw/zinc/07/71/07/657077107.db2.gz MMAXXORWYRTTLY-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN O=C(Cc1nc[nH]n1)N[C@H]1CCCN(CCO)C1 ZINC001009146068 657078806 /nfs/dbraw/zinc/07/88/06/657078806.db2.gz QJERFANUPAVMKT-VIFPVBQESA-N 0 3 253.306 -1.080 20 0 CAADHN C[C@@H](O)CN1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009459658 657080210 /nfs/dbraw/zinc/08/02/10/657080210.db2.gz LKJVRESNPKRPOU-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@H](O)CN1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009459656 657080298 /nfs/dbraw/zinc/08/02/98/657080298.db2.gz LKJVRESNPKRPOU-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@H]1CCCN(CCCO)C1 ZINC001009450345 657080457 /nfs/dbraw/zinc/08/04/57/657080457.db2.gz AWLPQMWQCZKHJU-JTQLQIEISA-N 0 3 298.343 -1.499 20 0 CAADHN COC[C@H](C)N1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010081252 657084211 /nfs/dbraw/zinc/08/42/11/657084211.db2.gz UBGFFZFJMLGGIX-VHSXEESVSA-N 0 3 268.321 -1.102 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010109129 657084458 /nfs/dbraw/zinc/08/44/58/657084458.db2.gz RIAFWZIKAPBTGJ-IUCAKERBSA-N 0 3 254.294 -1.756 20 0 CAADHN COC[C@@H](C)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010081254 657085318 /nfs/dbraw/zinc/08/53/18/657085318.db2.gz UBGFFZFJMLGGIX-ZJUUUORDSA-N 0 3 268.321 -1.102 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CCN(CCCO)C1 ZINC001010080075 657085951 /nfs/dbraw/zinc/08/59/51/657085951.db2.gz PDRNJMLATUJXDT-SECBINFHSA-N 0 3 254.294 -1.754 20 0 CAADHN CO[C@@H](C)CN1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010111053 657086838 /nfs/dbraw/zinc/08/68/38/657086838.db2.gz XGXIJXKYJJTHGE-VHSXEESVSA-N 0 3 268.321 -1.102 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@@H]1COCCO1 ZINC001010288733 657088000 /nfs/dbraw/zinc/08/80/00/657088000.db2.gz RHOZZYKHXICKDY-MNOVXSKESA-N 0 3 258.318 -1.025 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@H]1COCCO1 ZINC001010288726 657088582 /nfs/dbraw/zinc/08/85/82/657088582.db2.gz RHOZZYKHXICKDY-GHMZBOCLSA-N 0 3 258.318 -1.025 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@H]1CCC(=O)N1 ZINC001010381176 657089569 /nfs/dbraw/zinc/08/95/69/657089569.db2.gz MCABBJGGWKCVGM-NXEZZACHSA-N 0 3 255.318 -1.162 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@@H]2CCN(CCCO)C2)C1 ZINC001010428947 657090604 /nfs/dbraw/zinc/09/06/04/657090604.db2.gz RYTNTIUSUZOJDD-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@@H]2CCN(CCCO)C2)C1 ZINC001010428942 657091497 /nfs/dbraw/zinc/09/14/97/657091497.db2.gz RYTNTIUSUZOJDD-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN O=C(CN1CCOCC1)N[C@@H]1CCN(CCO)C1 ZINC001010676450 657093424 /nfs/dbraw/zinc/09/34/24/657093424.db2.gz DIIJORJAHQXLLB-LLVKDONJSA-N 0 3 257.334 -1.499 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010695265 657094082 /nfs/dbraw/zinc/09/40/82/657094082.db2.gz COOHATMNVAIHMI-DTWKUNHWSA-N 0 3 269.305 -1.445 20 0 CAADHN CN1CCOC[C@H]1C(=O)N[C@@H]1CCN(CCCO)C1 ZINC001010691507 657094557 /nfs/dbraw/zinc/09/45/57/657094557.db2.gz MAUDCJCWRGMXMG-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN CC[C@@H](C(=O)N1CCN(C(=O)CC(N)=O)CC1)N(C)C ZINC001010800740 657097060 /nfs/dbraw/zinc/09/70/60/657097060.db2.gz WONGQJFJRAHTER-JTQLQIEISA-N 0 3 284.360 -1.127 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@H]1COC(=O)N1 ZINC001010816279 657099347 /nfs/dbraw/zinc/09/93/47/657099347.db2.gz MTXJLSJURRSQOY-DTWKUNHWSA-N 0 3 257.290 -1.332 20 0 CAADHN C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CN1CCCC1 ZINC001011770581 657115047 /nfs/dbraw/zinc/11/50/47/657115047.db2.gz DUQUQZOZBJVYHF-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001012014313 657119024 /nfs/dbraw/zinc/11/90/24/657119024.db2.gz BSLVBVJSRGNYDS-RKDXNWHRSA-N 0 3 293.327 -1.148 20 0 CAADHN C[C@H]1CCCN1CC(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC001012313436 657124848 /nfs/dbraw/zinc/12/48/48/657124848.db2.gz IMPDJPOYANSGFK-JTQLQIEISA-N 0 3 282.344 -1.373 20 0 CAADHN CC1(C)CCN(CC(=O)N2CCN(C(=O)C(N)=O)CC2)C1 ZINC001012314196 657125050 /nfs/dbraw/zinc/12/50/50/657125050.db2.gz PCNHBKVXDVYAJB-UHFFFAOYSA-N 0 3 296.371 -1.126 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC001013965316 657140503 /nfs/dbraw/zinc/14/05/03/657140503.db2.gz FYOYRDMSGCDUEH-APPZFPTMSA-N 0 3 293.327 -1.148 20 0 CAADHN CO[C@@H](C)CN1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014432435 657145840 /nfs/dbraw/zinc/14/58/40/657145840.db2.gz XMAFXMKPTSJVCY-VHSXEESVSA-N 0 3 268.321 -1.102 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014566200 657147589 /nfs/dbraw/zinc/14/75/89/657147589.db2.gz PPCDOUWEFDUPIJ-NXEZZACHSA-N 0 3 253.306 -1.151 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014509584 657147750 /nfs/dbraw/zinc/14/77/50/657147750.db2.gz SBLGIIZSDBCZRO-MRVPVSSYSA-N 0 3 266.305 -1.413 20 0 CAADHN CC1(C)CC(=O)N(CC(=O)N[C@H]2CCN(CCO)C2)C1=O ZINC001014448364 657147994 /nfs/dbraw/zinc/14/79/94/657147994.db2.gz WCSMYYUYRJMBEC-JTQLQIEISA-N 0 3 297.355 -1.046 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014566203 657148063 /nfs/dbraw/zinc/14/80/63/657148063.db2.gz PPCDOUWEFDUPIJ-VHSXEESVSA-N 0 3 253.306 -1.151 20 0 CAADHN COC[C@H](C)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014446320 657148112 /nfs/dbraw/zinc/14/81/12/657148112.db2.gz GVVRYUQJBIFNQN-UWVGGRQHSA-N 0 3 268.321 -1.102 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014503978 657148861 /nfs/dbraw/zinc/14/88/61/657148861.db2.gz TVJKSZGWJMABFP-BDAKNGLRSA-N 0 3 296.331 -2.052 20 0 CAADHN O=C(CN1CCCS1(=O)=O)N[C@H]1CCN(CCO)C1 ZINC001014642552 657150204 /nfs/dbraw/zinc/15/02/04/657150204.db2.gz FIMRBXXVFANZEE-JTQLQIEISA-N 0 3 291.373 -1.795 20 0 CAADHN O=C(C[C@H]1CCNC1=O)N[C@@H]1CCN(CCO)C1 ZINC001014708549 657151481 /nfs/dbraw/zinc/15/14/81/657151481.db2.gz WURBTBAFXFHKND-NXEZZACHSA-N 0 3 255.318 -1.305 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCN(CCO)C1 ZINC001014775027 657153589 /nfs/dbraw/zinc/15/35/89/657153589.db2.gz LSNBIEXIPGHWLS-SFYZADRCSA-N 0 3 270.289 -2.233 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@H]1CCN(CCCO)C1 ZINC001014742499 657153887 /nfs/dbraw/zinc/15/38/87/657153887.db2.gz UHGYENIBXLBAEZ-NSHDSACASA-N 0 3 285.344 -1.582 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014786592 657154622 /nfs/dbraw/zinc/15/46/22/657154622.db2.gz SMTCRLBTWWHCJQ-ZJUUUORDSA-N 0 3 280.328 -1.035 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014741340 657154708 /nfs/dbraw/zinc/15/47/08/657154708.db2.gz OTYAXQHXWZHOBL-GHMZBOCLSA-N 0 3 285.344 -1.584 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCN(CCCO)C1 ZINC001014775013 657154727 /nfs/dbraw/zinc/15/47/27/657154727.db2.gz LMMBHGNIWRRDQU-BDAKNGLRSA-N 0 3 284.316 -1.843 20 0 CAADHN O=C(N[C@H]1CCN(CCO)C1)c1cnc[nH]c1=O ZINC001014873137 657156078 /nfs/dbraw/zinc/15/60/78/657156078.db2.gz VKCYCHFVPCZULC-QMMMGPOBSA-N 0 3 252.274 -1.021 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCN(CCO)C2)O1 ZINC001014920673 657156771 /nfs/dbraw/zinc/15/67/71/657156771.db2.gz OMOJAQPPVSVRLZ-IJLUTSLNSA-N 0 3 271.361 -1.112 20 0 CAADHN CN1CCN(CC(=O)N[C@H]2CCN(CCO)C2)CC1=O ZINC001015001133 657158024 /nfs/dbraw/zinc/15/80/24/657158024.db2.gz UHYXHWLOVOAMCJ-NSHDSACASA-N 0 3 284.360 -2.057 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015004086 657158123 /nfs/dbraw/zinc/15/81/23/657158123.db2.gz NJEIEHZXCZETHO-ZJUUUORDSA-N 0 3 283.332 -1.847 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2CCN(CCO)C2)c1=O ZINC001015012013 657159490 /nfs/dbraw/zinc/15/94/90/657159490.db2.gz ZIHTZCNSKWSRBQ-SECBINFHSA-N 0 3 269.305 -2.235 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015080377 657161661 /nfs/dbraw/zinc/16/16/61/657161661.db2.gz GNQXVYNIUBATIQ-WDEREUQCSA-N 0 3 284.360 -1.027 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015080373 657162460 /nfs/dbraw/zinc/16/24/60/657162460.db2.gz GNQXVYNIUBATIQ-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCN(CCO)C1 ZINC001015139208 657163754 /nfs/dbraw/zinc/16/37/54/657163754.db2.gz FKDRLEGJIHDMDL-VIFPVBQESA-N 0 3 282.300 -1.868 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H]1CCN(CCO)C1 ZINC001015139207 657163996 /nfs/dbraw/zinc/16/39/96/657163996.db2.gz FKDRLEGJIHDMDL-SECBINFHSA-N 0 3 282.300 -1.868 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015329338 657165362 /nfs/dbraw/zinc/16/53/62/657165362.db2.gz LEUYZGXVNMFGBY-NXEZZACHSA-N 0 3 280.328 -1.035 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CCN(CCCO)C1 ZINC001015502625 657168172 /nfs/dbraw/zinc/16/81/72/657168172.db2.gz GTAFKSKNBCXWKG-LLVKDONJSA-N 0 3 284.360 -2.009 20 0 CAADHN CO[C@@H](C)CN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015509215 657169788 /nfs/dbraw/zinc/16/97/88/657169788.db2.gz LXPDAXRUXTVEGI-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507027 657169943 /nfs/dbraw/zinc/16/99/43/657169943.db2.gz AVVHZRNDIDVHKE-QWRGUYRKSA-N 0 3 284.360 -2.011 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507018 657170389 /nfs/dbraw/zinc/17/03/89/657170389.db2.gz AVVHZRNDIDVHKE-GHMZBOCLSA-N 0 3 284.360 -2.011 20 0 CAADHN CO[C@H](C)CN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015509214 657171086 /nfs/dbraw/zinc/17/10/86/657171086.db2.gz LXPDAXRUXTVEGI-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCN(C[C@@H]2CCNC(=O)CC2)C1 ZINC001015640161 657181222 /nfs/dbraw/zinc/18/12/22/657181222.db2.gz KMLPJOZJZWZRNM-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN1CC[C@@H](NC(=O)c2[nH]ncc2F)C1 ZINC001015670682 657183706 /nfs/dbraw/zinc/18/37/06/657183706.db2.gz QCAQMGAVUXDNGM-ZCFIWIBFSA-N 0 3 255.253 -1.162 20 0 CAADHN NC(=O)CN1CC[C@H](NC(=O)c2[nH]ncc2F)C1 ZINC001015670681 657184183 /nfs/dbraw/zinc/18/41/83/657184183.db2.gz QCAQMGAVUXDNGM-LURJTMIESA-N 0 3 255.253 -1.162 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001015763077 657186288 /nfs/dbraw/zinc/18/62/88/657186288.db2.gz RMMKTYLYACTYHW-SECBINFHSA-N 0 3 265.317 -1.111 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC001015786023 657186963 /nfs/dbraw/zinc/18/69/63/657186963.db2.gz GBGULZSHFLKQOR-QMMMGPOBSA-N 0 3 282.300 -1.383 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001015770315 657187400 /nfs/dbraw/zinc/18/74/00/657187400.db2.gz OEPVMTCIXVLAMN-IUCAKERBSA-N 0 3 284.316 -1.843 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)N[C@H]1CCN(CCO)C1 ZINC001015832233 657187769 /nfs/dbraw/zinc/18/77/69/657187769.db2.gz MDMSNGQZKVSVMX-ZJUUUORDSA-N 0 3 255.318 -1.162 20 0 CAADHN COCCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001015837410 657187797 /nfs/dbraw/zinc/18/77/97/657187797.db2.gz QUJQCCBAFDNQJB-JTQLQIEISA-N 0 3 283.328 -1.124 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)C1CC(=O)NC(=O)C1 ZINC001015842551 657188119 /nfs/dbraw/zinc/18/81/19/657188119.db2.gz ORKPRLXWWOOPFO-SNVBAGLBSA-N 0 3 283.328 -1.388 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)N[C@@H]1CCN(CCO)C1 ZINC001015832230 657188493 /nfs/dbraw/zinc/18/84/93/657188493.db2.gz MDMSNGQZKVSVMX-NXEZZACHSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1CCN(CCO)C1 ZINC001015832232 657188815 /nfs/dbraw/zinc/18/88/15/657188815.db2.gz MDMSNGQZKVSVMX-VHSXEESVSA-N 0 3 255.318 -1.162 20 0 CAADHN COC[C@@H](C)N1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865073 657189993 /nfs/dbraw/zinc/18/99/93/657189993.db2.gz PCPXKIFYTICMJB-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)[C@@H](C)N1CC[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001015871160 657190024 /nfs/dbraw/zinc/19/00/24/657190024.db2.gz IGUFLDDLYVLSEV-SFYZADRCSA-N 0 3 266.305 -1.257 20 0 CAADHN CNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001015871158 657190070 /nfs/dbraw/zinc/19/00/70/657190070.db2.gz IGUFLDDLYVLSEV-HTQZYQBOSA-N 0 3 266.305 -1.257 20 0 CAADHN CO[C@@H](C)CN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865825 657190159 /nfs/dbraw/zinc/19/01/59/657190159.db2.gz GTKNEMWQCLWJIF-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015866297 657190461 /nfs/dbraw/zinc/19/04/61/657190461.db2.gz NXGIZVPOAONFIN-IUCAKERBSA-N 0 3 284.316 -1.891 20 0 CAADHN COC[C@H](C)N1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865072 657190642 /nfs/dbraw/zinc/19/06/42/657190642.db2.gz PCPXKIFYTICMJB-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@H]1CCN(CCCO)C1 ZINC001015864915 657190895 /nfs/dbraw/zinc/19/08/95/657190895.db2.gz LEMIEILTUJBRNS-VIFPVBQESA-N 0 3 284.316 -1.889 20 0 CAADHN CN(C)C(=O)CN1CC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001015872049 657191302 /nfs/dbraw/zinc/19/13/02/657191302.db2.gz YQNCWLPAQLHOBA-QMMMGPOBSA-N 0 3 266.305 -1.303 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)N[C@@H]1CCN(CCO)C1 ZINC001015952607 657192541 /nfs/dbraw/zinc/19/25/41/657192541.db2.gz YKHIQBHBAMRCFB-SECBINFHSA-N 0 3 284.316 -1.889 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)N[C@H]1CCN(CCO)C1 ZINC001015952609 657192807 /nfs/dbraw/zinc/19/28/07/657192807.db2.gz YKHIQBHBAMRCFB-VIFPVBQESA-N 0 3 284.316 -1.889 20 0 CAADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H]1CCN(CCO)C1 ZINC001015895053 657193621 /nfs/dbraw/zinc/19/36/21/657193621.db2.gz CEKYRDZDYKZZMB-VIFPVBQESA-N 0 3 296.327 -1.078 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)N[C@H]1CCN(CCCO)C1 ZINC001015952637 657193681 /nfs/dbraw/zinc/19/36/81/657193681.db2.gz YXOJRFPMEOZIJT-JTQLQIEISA-N 0 3 298.343 -1.499 20 0 CAADHN O=C(Cc1nnc[nH]1)N[C@@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001015967813 657194825 /nfs/dbraw/zinc/19/48/25/657194825.db2.gz NHXGZKXYAOBMFS-ZJUUUORDSA-N 0 3 292.343 -1.184 20 0 CAADHN O=C(Cc1nnc[nH]1)N[C@H]1CCN([C@H]2CCCNC2=O)C1 ZINC001015967810 657195525 /nfs/dbraw/zinc/19/55/25/657195525.db2.gz NHXGZKXYAOBMFS-UWVGGRQHSA-N 0 3 292.343 -1.184 20 0 CAADHN CN1C(=O)CN(CC(=O)N[C@H]2CCN(CCO)C2)C1=O ZINC001015985843 657196650 /nfs/dbraw/zinc/19/66/50/657196650.db2.gz AWUHEMPCUXITNM-VIFPVBQESA-N 0 3 284.316 -1.937 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@@H]1CCC(=O)N1 ZINC001016034039 657198106 /nfs/dbraw/zinc/19/81/06/657198106.db2.gz MCABBJGGWKCVGM-ZJUUUORDSA-N 0 3 255.318 -1.162 20 0 CAADHN Cc1ccc(=O)n(CC(=O)N[C@H]2CCN(CCO)C2)n1 ZINC001016055385 657198266 /nfs/dbraw/zinc/19/82/66/657198266.db2.gz DACQMRIDBLYKAT-NSHDSACASA-N 0 3 280.328 -1.265 20 0 CAADHN Cc1nn(CC(=O)N[C@H]2CCN(CCCO)C2)c(=O)n1C ZINC001016150253 657198472 /nfs/dbraw/zinc/19/84/72/657198472.db2.gz PABLVHBLMULLGQ-NSHDSACASA-N 0 3 297.359 -1.537 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N[C@@H]2CCN(CCCO)C2)C1 ZINC001016143733 657199018 /nfs/dbraw/zinc/19/90/18/657199018.db2.gz BXHOFOUAAPKQDG-OLZOCXBDSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016180160 657200503 /nfs/dbraw/zinc/20/05/03/657200503.db2.gz FJZLPEOEQRLRER-ZJUUUORDSA-N 0 3 280.328 -1.035 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200049 657200730 /nfs/dbraw/zinc/20/07/30/657200730.db2.gz QYVIMGQJNBNPCA-MRVPVSSYSA-N 0 3 254.290 -1.251 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@@H]1CCN(CCCO)C1 ZINC001016200351 657200977 /nfs/dbraw/zinc/20/09/77/657200977.db2.gz VBSBKFDDWWVMHZ-SECBINFHSA-N 0 3 284.316 -1.889 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200672 657201239 /nfs/dbraw/zinc/20/12/39/657201239.db2.gz YAOREICLGBUEMY-SECBINFHSA-N 0 3 284.316 -1.625 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@H]1CCN(CCO)C1 ZINC001016198817 657201301 /nfs/dbraw/zinc/20/13/01/657201301.db2.gz AKQAKTFALPWOJR-QMMMGPOBSA-N 0 3 270.289 -2.279 20 0 CAADHN CO[C@H](C)CN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016198903 657201499 /nfs/dbraw/zinc/20/14/99/657201499.db2.gz CGALAKSCKTWDCF-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@H]1CCN(CCCO)C1 ZINC001016200352 657201639 /nfs/dbraw/zinc/20/16/39/657201639.db2.gz VBSBKFDDWWVMHZ-VIFPVBQESA-N 0 3 284.316 -1.889 20 0 CAADHN CC1(C)NC(=O)N(CC(=O)N[C@@H]2CCN(CCO)C2)C1=O ZINC001016175767 657201726 /nfs/dbraw/zinc/20/17/26/657201726.db2.gz TVJRVKMWAPKNGZ-SECBINFHSA-N 0 3 298.343 -1.500 20 0 CAADHN CO[C@H](C)CN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016198900 657201946 /nfs/dbraw/zinc/20/19/46/657201946.db2.gz CGALAKSCKTWDCF-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200187 657201963 /nfs/dbraw/zinc/20/19/63/657201963.db2.gz SEDZOQLIVCRINB-BDAKNGLRSA-N 0 3 284.316 -1.891 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@H]2CCN(CCO)C2)C1=O ZINC001016200995 657202639 /nfs/dbraw/zinc/20/26/39/657202639.db2.gz ALUCJRVKBIGPGJ-VIFPVBQESA-N 0 3 284.316 -1.937 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016209238 657203207 /nfs/dbraw/zinc/20/32/07/657203207.db2.gz SDIRECVCMAFQGI-NXEZZACHSA-N 0 3 283.328 -1.293 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016208287 657203624 /nfs/dbraw/zinc/20/36/24/657203624.db2.gz LRRMSLAOSWPZOZ-SNVBAGLBSA-N 0 3 283.328 -1.028 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016241208 657204514 /nfs/dbraw/zinc/20/45/14/657204514.db2.gz YSJCQEYMBUXHCN-BDAKNGLRSA-N 0 3 296.327 -1.329 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016209239 657204781 /nfs/dbraw/zinc/20/47/81/657204781.db2.gz SDIRECVCMAFQGI-UWVGGRQHSA-N 0 3 283.328 -1.293 20 0 CAADHN CCN1CCO[C@@H](C(=O)N[C@H]2CCN(CCO)C2)C1 ZINC001016302707 657206634 /nfs/dbraw/zinc/20/66/34/657206634.db2.gz NWCNOTWYOIBPEV-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001016284943 657206708 /nfs/dbraw/zinc/20/67/08/657206708.db2.gz VNHIOGZKEUBNDZ-ZJUUUORDSA-N 0 3 291.373 -1.749 20 0 CAADHN CCN1CCO[C@H](C(=O)N[C@@H]2CCN(CCO)C2)C1 ZINC001016302704 657207108 /nfs/dbraw/zinc/20/71/08/657207108.db2.gz NWCNOTWYOIBPEV-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN CN(C(=O)[C@H]1CCCN1C)C1CC(NC(=O)C(N)=O)C1 ZINC001016330087 657207214 /nfs/dbraw/zinc/20/72/14/657207214.db2.gz LGBVLEBYFWACNH-UDNWOFFPSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016355186 657208701 /nfs/dbraw/zinc/20/87/01/657208701.db2.gz UIRCGRJYACYDNI-NXEZZACHSA-N 0 3 282.344 -1.091 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001016337867 657208907 /nfs/dbraw/zinc/20/89/07/657208907.db2.gz AUQUAAXQKANTKG-QMMMGPOBSA-N 0 3 266.305 -1.413 20 0 CAADHN Cn1cc(C(=O)N[C@H]2CCN(CCCO)C2)n(C)c1=O ZINC001016348431 657209019 /nfs/dbraw/zinc/20/90/19/657209019.db2.gz IDGKTVHWHFQWIX-JTQLQIEISA-N 0 3 282.344 -1.090 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001016355187 657209502 /nfs/dbraw/zinc/20/95/02/657209502.db2.gz UIRCGRJYACYDNI-UWVGGRQHSA-N 0 3 282.344 -1.091 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CCN(CCCO)C2)n(C)c1=O ZINC001016348432 657209551 /nfs/dbraw/zinc/20/95/51/657209551.db2.gz IDGKTVHWHFQWIX-SNVBAGLBSA-N 0 3 282.344 -1.090 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CCN(CCCO)C1 ZINC001016436586 657210373 /nfs/dbraw/zinc/21/03/73/657210373.db2.gz MCERAUUGRPPTRW-NXEZZACHSA-N 0 3 283.328 -1.388 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CC12CCN([C@H]1CCCNC1=O)CC2 ZINC001016801580 657212698 /nfs/dbraw/zinc/21/26/98/657212698.db2.gz YXLBLDFNKRMVPG-VHSXEESVSA-N 0 3 294.355 -1.279 20 0 CAADHN CNC(=O)[C@@H](C)N1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016805369 657213982 /nfs/dbraw/zinc/21/39/82/657213982.db2.gz XCGIGFHOMCCOTR-BDAKNGLRSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016803363 657214478 /nfs/dbraw/zinc/21/44/78/657214478.db2.gz LYEMNYRNOVVBDX-UWVGGRQHSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1CCN(CC(=O)N(C)C2CC(NC(=O)C(N)=O)C2)C1 ZINC001017038144 657217800 /nfs/dbraw/zinc/21/78/00/657217800.db2.gz BBPZIWWSGOEFAM-WHXUTIOJSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C[C@H]1CCCN(C(=O)CC(N)=O)C1)[C@H]1CCNC1=O ZINC001017082600 657218070 /nfs/dbraw/zinc/21/80/70/657218070.db2.gz TZQXERNPXWWOCF-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)[C@@H]1CCNC1=O ZINC001017200061 657218500 /nfs/dbraw/zinc/21/85/00/657218500.db2.gz NKEDKVBWOBFENE-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)[C@@H]1CCN(C)C1=O ZINC001017196708 657218792 /nfs/dbraw/zinc/21/87/92/657218792.db2.gz GKFWJARWPXJFKT-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1)C(N)=O ZINC001018458356 657229192 /nfs/dbraw/zinc/22/91/92/657229192.db2.gz KQKSDXZVCOFPSX-YUMQZZPRSA-N 0 3 279.300 -1.140 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001018462515 657229376 /nfs/dbraw/zinc/22/93/76/657229376.db2.gz JPBRCFPBASRUMN-JTQLQIEISA-N 0 3 264.285 -1.391 20 0 CAADHN O=C(C1=COCCO1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018459450 657229466 /nfs/dbraw/zinc/22/94/66/657229466.db2.gz ITUOJJNONWFSJN-UWVGGRQHSA-N 0 3 281.312 -1.046 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1)C(N)=O ZINC001018458355 657229918 /nfs/dbraw/zinc/22/99/18/657229918.db2.gz KQKSDXZVCOFPSX-SFYZADRCSA-N 0 3 279.300 -1.140 20 0 CAADHN O=C(C1=COCCO1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018459451 657230148 /nfs/dbraw/zinc/23/01/48/657230148.db2.gz ITUOJJNONWFSJN-VHSXEESVSA-N 0 3 281.312 -1.046 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CN2CCCC2=O)C1)C(N)=O ZINC001018479511 657230349 /nfs/dbraw/zinc/23/03/49/657230349.db2.gz HBRNOGATHGWYIO-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1)C(N)=O ZINC001018462854 657230925 /nfs/dbraw/zinc/23/09/25/657230925.db2.gz NLORSGUEDPGKFL-KOLCDFICSA-N 0 3 278.312 -1.002 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)cn1 ZINC001018483145 657232337 /nfs/dbraw/zinc/23/23/37/657232337.db2.gz NCFPYDHOEZBYLL-VIFPVBQESA-N 0 3 251.290 -1.291 20 0 CAADHN O=C(CCn1cncn1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018518694 657232727 /nfs/dbraw/zinc/23/27/27/657232727.db2.gz XTTHEMDZSJPNOK-WDEREUQCSA-N 0 3 292.343 -1.253 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)CS(C)(=O)=O)C1)C(N)=O ZINC001018590535 657233307 /nfs/dbraw/zinc/23/33/07/657233307.db2.gz CSTFSAKXUFWFLE-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN O=C(Cn1cccn1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018504182 657233740 /nfs/dbraw/zinc/23/37/40/657233740.db2.gz QGHCSZIRKXDVQU-WDEREUQCSA-N 0 3 277.328 -1.038 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CCn2cncn2)C1)C(N)=O ZINC001018511998 657233990 /nfs/dbraw/zinc/23/39/90/657233990.db2.gz ODNRBVNGBUZCHC-ZJUUUORDSA-N 0 3 280.332 -1.268 20 0 CAADHN Nc1nccnc1C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018643282 657236138 /nfs/dbraw/zinc/23/61/38/657236138.db2.gz MGDDYJUGGZGBMM-IUCAKERBSA-N 0 3 290.327 -1.249 20 0 CAADHN CN1CCC[C@@H](N[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC001018647760 657236354 /nfs/dbraw/zinc/23/63/54/657236354.db2.gz ZIXUGBHOZTYVAX-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CC[C@H](N[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC001018648970 657236415 /nfs/dbraw/zinc/23/64/15/657236415.db2.gz OCUSSPLRGXQTIO-IUCAKERBSA-N 0 3 268.317 -1.717 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001018646695 657237377 /nfs/dbraw/zinc/23/73/77/657237377.db2.gz MEUPYMVNBNQCLA-JGVFFNPUSA-N 0 3 282.300 -2.143 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001018642639 657238088 /nfs/dbraw/zinc/23/80/88/657238088.db2.gz AUAUVDUSHYWHEP-ZETCQYMHSA-N 0 3 264.289 -1.652 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001018646696 657238187 /nfs/dbraw/zinc/23/81/87/657238187.db2.gz MEUPYMVNBNQCLA-YUMQZZPRSA-N 0 3 282.300 -2.143 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](NCC(N)=O)C2)c1N ZINC001018748485 657239299 /nfs/dbraw/zinc/23/92/99/657239299.db2.gz AKJWVVHKMXBLHR-ZETCQYMHSA-N 0 3 266.305 -1.708 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)c1N ZINC001018749549 657239845 /nfs/dbraw/zinc/23/98/45/657239845.db2.gz ULDHZHSTTAEDDP-WPRPVWTQSA-N 0 3 292.343 -1.305 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001018650670 657239966 /nfs/dbraw/zinc/23/99/66/657239966.db2.gz SQWGDRYSYGTBAP-VIFPVBQESA-N 0 3 252.274 -1.107 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001018659313 657240305 /nfs/dbraw/zinc/24/03/05/657240305.db2.gz SFUXHRVZGWXSNI-VIFPVBQESA-N 0 3 251.290 -1.372 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)CN2CN=NC2=O)C1)C(N)=O ZINC001018745720 657240657 /nfs/dbraw/zinc/24/06/57/657240657.db2.gz TVGPGTAGOSXSNV-DTWKUNHWSA-N 0 3 296.331 -1.562 20 0 CAADHN Cc1c(C(=O)N2CC[C@H](NCC(N)=O)C2)nnn1C ZINC001018659092 657240705 /nfs/dbraw/zinc/24/07/05/657240705.db2.gz MEDRWRFHLQAZGK-QMMMGPOBSA-N 0 3 266.305 -1.587 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2COC(=O)C2)C1 ZINC001018718946 657240969 /nfs/dbraw/zinc/24/09/69/657240969.db2.gz MRTUUCKPHYWGHB-IUCAKERBSA-N 0 3 269.301 -1.385 20 0 CAADHN CN1CCOC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018744069 657241056 /nfs/dbraw/zinc/24/10/56/657241056.db2.gz SKXOCDPOVXASMD-UWVGGRQHSA-N 0 3 270.333 -2.007 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018744073 657241717 /nfs/dbraw/zinc/24/17/17/657241717.db2.gz SKXOCDPOVXASMD-VHSXEESVSA-N 0 3 270.333 -2.007 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)nn1 ZINC001018805874 657242438 /nfs/dbraw/zinc/24/24/38/657242438.db2.gz UFKJURFRZRMERZ-JTQLQIEISA-N 0 3 292.343 -1.149 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)C2)C1 ZINC001018771218 657242689 /nfs/dbraw/zinc/24/26/89/657242689.db2.gz QRUZSZFSDGIYGB-KWQFWETISA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cnnn2C)C1)C(N)=O ZINC001018792234 657242733 /nfs/dbraw/zinc/24/27/33/657242733.db2.gz HSEJSVYBMHOMCS-SFYZADRCSA-N 0 3 266.305 -1.507 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1)C(N)=O ZINC001018770116 657242977 /nfs/dbraw/zinc/24/29/77/657242977.db2.gz ARGALSDKLWNJJO-RYUDHWBXSA-N 0 3 296.371 -1.081 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)nn1 ZINC001018805893 657243331 /nfs/dbraw/zinc/24/33/31/657243331.db2.gz URNFJNOAJTXEPH-IUCAKERBSA-N 0 3 278.316 -1.492 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)nn1 ZINC001018806117 657243462 /nfs/dbraw/zinc/24/34/62/657243462.db2.gz WYWGSEULHNHIOW-VHSXEESVSA-N 0 3 292.343 -1.102 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1)N1CCC1 ZINC001018793489 657243518 /nfs/dbraw/zinc/24/35/18/657243518.db2.gz SOTRUWAFQLXUJQ-UWVGGRQHSA-N 0 3 296.327 -1.482 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](N[C@@H]3CCN(C)C3=O)C2)n1 ZINC001018803563 657244011 /nfs/dbraw/zinc/24/40/11/657244011.db2.gz UGEVQJSLKWXEEO-VHSXEESVSA-N 0 3 292.343 -1.150 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018790141 657244248 /nfs/dbraw/zinc/24/42/48/657244248.db2.gz BIDYHIVUGUQRPO-JTQLQIEISA-N 0 3 292.343 -1.149 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2ncn(C)n2)C1)C(N)=O ZINC001018803002 657244377 /nfs/dbraw/zinc/24/43/77/657244377.db2.gz GGKOKXHVEROBEL-SFYZADRCSA-N 0 3 266.305 -1.507 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018794879 657244662 /nfs/dbraw/zinc/24/46/62/657244662.db2.gz OFCFSLRZZLRIIM-ZETCQYMHSA-N 0 3 252.278 -1.896 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CC2OCCCO2)C1 ZINC001018761624 657244821 /nfs/dbraw/zinc/24/48/21/657244821.db2.gz XTFXRNBMJGHGIX-VIFPVBQESA-N 0 3 271.317 -1.185 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](N[C@@H]3CCN(C)C3=O)C2)nn1 ZINC001018807494 657245096 /nfs/dbraw/zinc/24/50/96/657245096.db2.gz SROOZZQUFYQDLA-VHSXEESVSA-N 0 3 292.343 -1.150 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)[nH]1 ZINC001018826861 657246427 /nfs/dbraw/zinc/24/64/27/657246427.db2.gz MMUJBWLCHAVGTC-UWVGGRQHSA-N 0 3 292.343 -1.265 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001018810084 657246871 /nfs/dbraw/zinc/24/68/71/657246871.db2.gz QUDBMISJNJDWTF-QMMMGPOBSA-N 0 3 266.305 -1.413 20 0 CAADHN Cn1nccc1CN[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001018849727 657246947 /nfs/dbraw/zinc/24/69/47/657246947.db2.gz IDMKEWSALWLPJV-JTQLQIEISA-N 0 3 290.331 -1.203 20 0 CAADHN Cn1ccc(CC(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001018833939 657247145 /nfs/dbraw/zinc/24/71/45/657247145.db2.gz XNQKVSWFKSCMJJ-JTQLQIEISA-N 0 3 265.317 -1.362 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](N[C@@H](C)C(N)=O)C2)[nH]1 ZINC001018827542 657247280 /nfs/dbraw/zinc/24/72/80/657247280.db2.gz UYPGSIQFVGTRGW-CBAPKCEASA-N 0 3 280.332 -1.280 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](NCC(N)=O)C2)[nH]1 ZINC001018826815 657247484 /nfs/dbraw/zinc/24/74/84/657247484.db2.gz JVRYSYGNZCWULC-QMMMGPOBSA-N 0 3 266.305 -1.669 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001018832222 657247839 /nfs/dbraw/zinc/24/78/39/657247839.db2.gz ZTXPZVASCANSMC-VIFPVBQESA-N 0 3 255.318 -1.033 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)n1 ZINC001018810134 657247900 /nfs/dbraw/zinc/24/79/00/657247900.db2.gz SGEWPAMTHVKUKD-VHSXEESVSA-N 0 3 292.343 -1.009 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)C2)n1 ZINC001018810404 657248226 /nfs/dbraw/zinc/24/82/26/657248226.db2.gz XOULNHKWLSYCGE-BDAKNGLRSA-N 0 3 280.332 -1.024 20 0 CAADHN CN(C)c1cnc(C(=O)N2CC[C@H](NCC(N)=O)C2)cn1 ZINC001018846273 657248662 /nfs/dbraw/zinc/24/86/62/657248662.db2.gz DENUTXOAYKBNJV-VIFPVBQESA-N 0 3 292.343 -1.168 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2ncnn2)C1)C(N)=O ZINC001018851904 657249032 /nfs/dbraw/zinc/24/90/32/657249032.db2.gz XFMRYJDAJVNQGZ-YUMQZZPRSA-N 0 3 267.293 -2.263 20 0 CAADHN O=C(Cn1nccn1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018915919 657249577 /nfs/dbraw/zinc/24/95/77/657249577.db2.gz ZYASIUNVEMHTPJ-UWVGGRQHSA-N 0 3 278.316 -1.643 20 0 CAADHN CCN1C[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC1=O ZINC001018935673 657249621 /nfs/dbraw/zinc/24/96/21/657249621.db2.gz KGVXKMZZZWFKAI-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H](C(=O)N1CC[C@H](NCC(N)=O)C1)N1C(=O)CCC1=O ZINC001018937181 657249763 /nfs/dbraw/zinc/24/97/63/657249763.db2.gz OSMSEIIVZQWDKC-IUCAKERBSA-N 0 3 296.327 -1.800 20 0 CAADHN CN1C[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC1=O ZINC001018933997 657250085 /nfs/dbraw/zinc/25/00/85/657250085.db2.gz BSUMEAIIGMRZAL-IUCAKERBSA-N 0 3 268.317 -1.860 20 0 CAADHN CCN1C[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC1=O ZINC001018935672 657250260 /nfs/dbraw/zinc/25/02/60/657250260.db2.gz KGVXKMZZZWFKAI-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)Cn2nccn2)C1)N1CCC1 ZINC001018914641 657250292 /nfs/dbraw/zinc/25/02/92/657250292.db2.gz UDCGXGUMONFLMG-NSHDSACASA-N 0 3 292.343 -1.299 20 0 CAADHN CC(C)N1C[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC1=O ZINC001018933114 657250368 /nfs/dbraw/zinc/25/03/68/657250368.db2.gz RGWSXFIDRHACDQ-MNOVXSKESA-N 0 3 296.371 -1.081 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)Cn2nccn2)C1)C(N)=O ZINC001018914259 657250676 /nfs/dbraw/zinc/25/06/76/657250676.db2.gz BHCCVPWGZGBESO-VHSXEESVSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@H](C(=O)N1CC[C@H](NCC(N)=O)C1)N1C(=O)CCC1=O ZINC001018937180 657250709 /nfs/dbraw/zinc/25/07/09/657250709.db2.gz OSMSEIIVZQWDKC-BDAKNGLRSA-N 0 3 296.327 -1.800 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001018983588 657251105 /nfs/dbraw/zinc/25/11/05/657251105.db2.gz DSSGFHCTUHTHTQ-BQBZGAKWSA-N 0 3 283.288 -2.740 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cnc3n[nH]nc3c2)C1 ZINC001018976974 657251359 /nfs/dbraw/zinc/25/13/59/657251359.db2.gz KNEHYAFKUVNPAX-QMMMGPOBSA-N 0 3 289.299 -1.358 20 0 CAADHN CN1CC[C@H](N[C@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)C1=O ZINC001018997989 657251368 /nfs/dbraw/zinc/25/13/68/657251368.db2.gz JWRHGEORHLJUKA-UWVGGRQHSA-N 0 3 296.371 -1.081 20 0 CAADHN CCn1nnc(C)c1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018957891 657251476 /nfs/dbraw/zinc/25/14/76/657251476.db2.gz JJCKTGUKTCHEMW-VIFPVBQESA-N 0 3 280.332 -1.104 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001018999275 657251485 /nfs/dbraw/zinc/25/14/85/657251485.db2.gz MHRQEOXCPBBGNB-DTWKUNHWSA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1)C(N)=O ZINC001018986258 657251681 /nfs/dbraw/zinc/25/16/81/657251681.db2.gz XFCPSNLRUKXFDT-IUCAKERBSA-N 0 3 293.327 -1.542 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)C(N)=O ZINC001018997970 657251776 /nfs/dbraw/zinc/25/17/76/657251776.db2.gz JBYZUSNYXMIEBE-DTWKUNHWSA-N 0 3 284.360 -1.048 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)NC2)C1 ZINC001018956618 657251941 /nfs/dbraw/zinc/25/19/41/657251941.db2.gz INFFYSMSPAXLMX-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cc(=O)n(C)cn2)C1)C(N)=O ZINC001018986257 657252021 /nfs/dbraw/zinc/25/20/21/657252021.db2.gz XFCPSNLRUKXFDT-BDAKNGLRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)C(N)=O ZINC001018997923 657252161 /nfs/dbraw/zinc/25/21/61/657252161.db2.gz HHUNPDBLEKHFCE-YUMQZZPRSA-N 0 3 270.333 -1.438 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(N)=O ZINC001018983992 657252250 /nfs/dbraw/zinc/25/22/50/657252250.db2.gz OEEOVYZFOPDKSU-FXQIFTODSA-N 0 3 297.315 -2.351 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](NCC(N)=O)C2)cc1=O ZINC001018987198 657252331 /nfs/dbraw/zinc/25/23/31/657252331.db2.gz HDSLDHVSAUFRGE-QMMMGPOBSA-N 0 3 279.300 -1.930 20 0 CAADHN CN1CC[C@H](CC(=O)N2CC[C@H](NCC(N)=O)C2)C1=O ZINC001019008290 657252354 /nfs/dbraw/zinc/25/23/54/657252354.db2.gz CVUICVNGYOAOQQ-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018988423 657252426 /nfs/dbraw/zinc/25/24/26/657252426.db2.gz GTNCKXBJFQRPIX-QXEWZRGKSA-N 0 3 271.317 -1.534 20 0 CAADHN CN1CC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC1=O ZINC001019052749 657252823 /nfs/dbraw/zinc/25/28/23/657252823.db2.gz NPCSKEDFYVVGDW-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@H](NCC(N)=O)C2)CCNC(=O)C1 ZINC001019034884 657252895 /nfs/dbraw/zinc/25/28/95/657252895.db2.gz RYARVTSXRDKWNG-TVQRCGJNSA-N 0 3 282.344 -1.422 20 0 CAADHN CN1CC[C@@H](CC(=O)N2CC[C@H](NCC(N)=O)C2)C1=O ZINC001019008289 657253393 /nfs/dbraw/zinc/25/33/93/657253393.db2.gz CVUICVNGYOAOQQ-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN O=C([C@H]1CCCC(=O)N1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019013031 657253437 /nfs/dbraw/zinc/25/34/37/657253437.db2.gz NHBADLCWKQUOPL-HBNTYKKESA-N 0 3 294.355 -1.266 20 0 CAADHN Cc1nc(C(=O)N2CC[C@H](NCC(N)=O)C2)c(=O)[nH]c1C ZINC001019024731 657253523 /nfs/dbraw/zinc/25/35/23/657253523.db2.gz OHTUSRHRIIJPPK-VIFPVBQESA-N 0 3 293.327 -1.324 20 0 CAADHN C[C@]1(C(=O)N2CC[C@H](NCC(N)=O)C2)CCNC(=O)C1 ZINC001019034885 657253549 /nfs/dbraw/zinc/25/35/49/657253549.db2.gz RYARVTSXRDKWNG-ZANVPECISA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)O1 ZINC001019032075 657253621 /nfs/dbraw/zinc/25/36/21/657253621.db2.gz DGHBPYCUQVHNIZ-OUAUKWLOSA-N 0 3 284.360 -1.619 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019066792 657253700 /nfs/dbraw/zinc/25/37/00/657253700.db2.gz WVWQZPFNPSMYJK-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@H]([NH2+][C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1)C(N)=O ZINC001019014618 657253747 /nfs/dbraw/zinc/25/37/47/657253747.db2.gz LIDGSOMAIWCEFP-YUMQZZPRSA-N 0 3 279.300 -1.140 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)c2cn[nH]n2)C1)N1CCC1 ZINC001019078992 657253770 /nfs/dbraw/zinc/25/37/70/657253770.db2.gz YEWBQIVFYNXAFF-VIFPVBQESA-N 0 3 278.316 -1.159 20 0 CAADHN CCn1cc(CC(=O)N2CC[C@H](N[C@H](C)C(N)=O)C2)nn1 ZINC001019176759 657254418 /nfs/dbraw/zinc/25/44/18/657254418.db2.gz LFNUKGLFGRSNTI-ZJUUUORDSA-N 0 3 294.359 -1.095 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2ccnc3n[nH]nc32)C1 ZINC001019127096 657254473 /nfs/dbraw/zinc/25/44/73/657254473.db2.gz BGPXBANAJAEWCS-ZETCQYMHSA-N 0 3 289.299 -1.358 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)ccc1=O ZINC001019083740 657254858 /nfs/dbraw/zinc/25/48/58/657254858.db2.gz IQXJFSBMNJMFIR-JTQLQIEISA-N 0 3 278.312 -1.325 20 0 CAADHN COCCn1ccc(C(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001019127359 657255029 /nfs/dbraw/zinc/25/50/29/657255029.db2.gz JSLGYNRSJBVXLT-JTQLQIEISA-N 0 3 295.343 -1.181 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC001019140081 657255097 /nfs/dbraw/zinc/25/50/97/657255097.db2.gz JZDGTDDDUUPASH-VIFPVBQESA-N 0 3 289.299 -1.586 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cnn3c2OCCC3)C1 ZINC001019091588 657255198 /nfs/dbraw/zinc/25/51/98/657255198.db2.gz QONNFMUVCXLLQZ-VIFPVBQESA-N 0 3 293.327 -1.045 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cc3n(n2)CCCO3)C1 ZINC001019129480 657255269 /nfs/dbraw/zinc/25/52/69/657255269.db2.gz ROIBSXMNFXFPTE-VIFPVBQESA-N 0 3 293.327 -1.045 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001019180140 657255304 /nfs/dbraw/zinc/25/53/04/657255304.db2.gz FCAQBSRHUOBIKI-MRBYEJRBSA-N 0 3 297.355 -1.286 20 0 CAADHN Cn1cc(C(N)=O)cc1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019098314 657255768 /nfs/dbraw/zinc/25/57/68/657255768.db2.gz VXNYTUZBDRNTDM-VIFPVBQESA-N 0 3 293.327 -1.587 20 0 CAADHN Cn1ccc(=O)c(C(=O)N2CC[C@H](NCC(N)=O)C2)c1 ZINC001019128621 657256010 /nfs/dbraw/zinc/25/60/10/657256010.db2.gz QPTXJECWMFALEH-VIFPVBQESA-N 0 3 278.312 -1.325 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2csnn2)C1 ZINC001019204421 657256500 /nfs/dbraw/zinc/25/65/00/657256500.db2.gz BJEHXEMGINGMOD-LURJTMIESA-N 0 3 255.303 -1.173 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001019194158 657256618 /nfs/dbraw/zinc/25/66/18/657256618.db2.gz VAKQILUTNAJBSC-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001019234566 657256725 /nfs/dbraw/zinc/25/67/25/657256725.db2.gz LPBWLSQYKUYZIA-VIFPVBQESA-N 0 3 283.332 -2.906 20 0 CAADHN Cc1noc(CCC(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001019215875 657256783 /nfs/dbraw/zinc/25/67/83/657256783.db2.gz UWDJQKQLRGTMJH-VIFPVBQESA-N 0 3 281.316 -1.014 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C(N)=O ZINC001019234478 657256852 /nfs/dbraw/zinc/25/68/52/657256852.db2.gz JTLPAXMBZTYUQP-ZJUUUORDSA-N 0 3 297.359 -2.518 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1)C(N)=O ZINC001019236955 657256914 /nfs/dbraw/zinc/25/69/14/657256914.db2.gz KACXJCYIKAXFKD-SFYZADRCSA-N 0 3 281.316 -1.196 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)NC1=O ZINC001019240203 657256954 /nfs/dbraw/zinc/25/69/54/657256954.db2.gz BQPWGFQHPIQAEJ-JGVFFNPUSA-N 0 3 269.305 -2.314 20 0 CAADHN COc1nc(C(=O)N2CC[C@H](NCC(N)=O)C2)co1 ZINC001019197100 657257089 /nfs/dbraw/zinc/25/70/89/657257089.db2.gz RUXWBTZQMDLTDE-ZETCQYMHSA-N 0 3 268.273 -1.027 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)n[nH]1 ZINC001019239129 657257117 /nfs/dbraw/zinc/25/71/17/657257117.db2.gz FZHBXDQTECAUMX-VHSXEESVSA-N 0 3 292.343 -1.060 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001019224575 657257257 /nfs/dbraw/zinc/25/72/57/657257257.db2.gz XHTGGSMQXMXDDR-YUMQZZPRSA-N 0 3 266.305 -1.209 20 0 CAADHN CN1C[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)NC1=O ZINC001019240204 657257390 /nfs/dbraw/zinc/25/73/90/657257390.db2.gz BQPWGFQHPIQAEJ-YUMQZZPRSA-N 0 3 269.305 -2.314 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019224652 657257890 /nfs/dbraw/zinc/25/78/90/657257890.db2.gz BDAQRAJHNGAZSL-IUCAKERBSA-N 0 3 278.316 -1.194 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001019234752 657258037 /nfs/dbraw/zinc/25/80/37/657258037.db2.gz RPSNSPGDQQPNEF-JGVFFNPUSA-N 0 3 254.290 -2.202 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)n[nH]1 ZINC001019239128 657258132 /nfs/dbraw/zinc/25/81/32/657258132.db2.gz FZHBXDQTECAUMX-UWVGGRQHSA-N 0 3 292.343 -1.060 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019224651 657258222 /nfs/dbraw/zinc/25/82/22/657258222.db2.gz BDAQRAJHNGAZSL-DTWKUNHWSA-N 0 3 278.316 -1.194 20 0 CAADHN O=C(c1c[nH]c(=O)cn1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019300528 657258622 /nfs/dbraw/zinc/25/86/22/657258622.db2.gz GFXUDPOSOZYRCP-IUCAKERBSA-N 0 3 291.311 -1.538 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H](N[C@H]3CCN(C)C3=O)C2)n1 ZINC001019258923 657258708 /nfs/dbraw/zinc/25/87/08/657258708.db2.gz ZCFFIVWACHKLIH-IUCAKERBSA-N 0 3 293.331 -1.755 20 0 CAADHN CC(C)N1CCO[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019285257 657258762 /nfs/dbraw/zinc/25/87/62/657258762.db2.gz GPHOFGXMALNLEX-RYUDHWBXSA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@H](NCC(N)=O)C2)CCC(=O)NC1 ZINC001019272350 657258780 /nfs/dbraw/zinc/25/87/80/657258780.db2.gz MNJWHEUSIDZKLV-TVQRCGJNSA-N 0 3 282.344 -1.422 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)c2nnn(C)n2)C1)C(N)=O ZINC001019258523 657259662 /nfs/dbraw/zinc/25/96/62/657259662.db2.gz DIWUUIKMRQSWNH-JGVFFNPUSA-N 0 3 281.320 -1.722 20 0 CAADHN Cn1cc(OCC(=O)N2CC[C@H](NCC(N)=O)C2)cn1 ZINC001019293571 657259909 /nfs/dbraw/zinc/25/99/09/657259909.db2.gz DLQDIQBNGMMAOA-VIFPVBQESA-N 0 3 281.316 -1.525 20 0 CAADHN C[C@]1(C(=O)N2CC[C@H](NCC(N)=O)C2)CCC(=O)NC1 ZINC001019272351 657259963 /nfs/dbraw/zinc/25/99/63/657259963.db2.gz MNJWHEUSIDZKLV-ZANVPECISA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)C(N)=O ZINC001019263397 657260223 /nfs/dbraw/zinc/26/02/23/657260223.db2.gz DZJUWNSQYXQFTM-LADJIXMOSA-N 0 3 267.329 -1.057 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)C(N)=O ZINC001019301942 657260467 /nfs/dbraw/zinc/26/04/67/657260467.db2.gz KFQLJJGIDFSIEQ-SFYZADRCSA-N 0 3 279.300 -1.552 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019276356 657260658 /nfs/dbraw/zinc/26/06/58/657260658.db2.gz RINLFNRLWOAHLC-DTWKUNHWSA-N 0 3 268.317 -1.717 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)n1 ZINC001019258711 657260702 /nfs/dbraw/zinc/26/07/02/657260702.db2.gz NRGVWXYJFBZHEE-IUCAKERBSA-N 0 3 293.331 -1.707 20 0 CAADHN NC(=O)C(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001019313458 657261804 /nfs/dbraw/zinc/26/18/04/657261804.db2.gz VHJFTEJIQRFVFV-YUMQZZPRSA-N 0 3 254.290 -2.059 20 0 CAADHN Cn1cc(CN[C@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)C2)cn1 ZINC001019309330 657262492 /nfs/dbraw/zinc/26/24/92/657262492.db2.gz WXWGWMRPIGAXKK-QWRGUYRKSA-N 0 3 292.343 -1.208 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)C(N)=O ZINC001019315960 657263257 /nfs/dbraw/zinc/26/32/57/657263257.db2.gz ZVDAFAJYIQMLAQ-DTWKUNHWSA-N 0 3 282.344 -1.294 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)CCC(=O)N1 ZINC001019340823 657263781 /nfs/dbraw/zinc/26/37/81/657263781.db2.gz IXFQTJYKTIZMMG-RBZYPMLTSA-N 0 3 294.355 -1.266 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001019342899 657264236 /nfs/dbraw/zinc/26/42/36/657264236.db2.gz NUWXDLASRDTJAY-LURJTMIESA-N 0 3 255.253 -1.162 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)[nH]c1=O ZINC001019330141 657264411 /nfs/dbraw/zinc/26/44/11/657264411.db2.gz OXXWPASLRLWKQP-ZETCQYMHSA-N 0 3 267.289 -1.585 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)CCC(=O)N1 ZINC001019340822 657264467 /nfs/dbraw/zinc/26/44/67/657264467.db2.gz IXFQTJYKTIZMMG-BHDSKKPTSA-N 0 3 294.355 -1.266 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)[nH]c1=O ZINC001019330138 657264501 /nfs/dbraw/zinc/26/45/01/657264501.db2.gz OTZSHAVEXMJIQT-DTWKUNHWSA-N 0 3 293.327 -1.182 20 0 CAADHN CC[C@H](C(=O)N1CCC2(CN(C(=O)C(N)=O)C2)C1)N(C)C ZINC001019355454 657266070 /nfs/dbraw/zinc/26/60/70/657266070.db2.gz WWTZWEOVAPWHPG-SNVBAGLBSA-N 0 3 296.371 -1.127 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCCC(=O)N2)C1 ZINC001019368448 657266630 /nfs/dbraw/zinc/26/66/30/657266630.db2.gz UPKIJHSMKUSDTG-VHSXEESVSA-N 0 3 282.344 -1.279 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](NCCF)C2)c(=O)n(C)c1=O ZINC001019461033 657267112 /nfs/dbraw/zinc/26/71/12/657267112.db2.gz CWOWUCMORHRZTD-VIFPVBQESA-N 0 3 298.318 -1.142 20 0 CAADHN Cn1nnc(CN[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)n1 ZINC001019436945 657267128 /nfs/dbraw/zinc/26/71/28/657267128.db2.gz AUAYLKWGUKBOJH-VIFPVBQESA-N 0 3 290.331 -1.134 20 0 CAADHN CCCN1C[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC1=O ZINC001019446346 657267599 /nfs/dbraw/zinc/26/75/99/657267599.db2.gz JXFGYBLHYWJYRJ-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(N)=O ZINC001019444435 657267808 /nfs/dbraw/zinc/26/78/08/657267808.db2.gz ZUELLFVNXLZQTB-FXQIFTODSA-N 0 3 297.315 -2.351 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1)C(N)=O ZINC001019392622 657267877 /nfs/dbraw/zinc/26/78/77/657267877.db2.gz HCZJAIHFVMVLLX-SFYZADRCSA-N 0 3 293.327 -1.209 20 0 CAADHN CCCN1C[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC1=O ZINC001019446347 657268691 /nfs/dbraw/zinc/26/86/91/657268691.db2.gz JXFGYBLHYWJYRJ-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)n1 ZINC001019511615 657269639 /nfs/dbraw/zinc/26/96/39/657269639.db2.gz XWWZYOWEDKTMER-UWVGGRQHSA-N 0 3 292.343 -1.102 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)n1 ZINC001019511411 657269667 /nfs/dbraw/zinc/26/96/67/657269667.db2.gz MQVSAIMQIWZUGE-DTWKUNHWSA-N 0 3 278.316 -1.492 20 0 CAADHN CC(C)(C(=O)N1CC[C@H](NCC(N)=O)C1)N1CCOCC1 ZINC001019518551 657269735 /nfs/dbraw/zinc/26/97/35/657269735.db2.gz SHHJZBJRYBQDMC-NSHDSACASA-N 0 3 298.387 -1.227 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001019511221 657269782 /nfs/dbraw/zinc/26/97/82/657269782.db2.gz CMNMCEDETUJGML-ZETCQYMHSA-N 0 3 252.278 -1.896 20 0 CAADHN CCn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)nn1 ZINC001019579497 657271871 /nfs/dbraw/zinc/27/18/71/657271871.db2.gz RPPRQHSQEQUVBB-QMMMGPOBSA-N 0 3 266.305 -1.413 20 0 CAADHN O=C(CCn1cnnn1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019558695 657272049 /nfs/dbraw/zinc/27/20/49/657272049.db2.gz HBOSFDAPXFTXAJ-VHSXEESVSA-N 0 3 293.331 -1.858 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cn(CC3CC3)nn2)C1 ZINC001019576128 657272428 /nfs/dbraw/zinc/27/24/28/657272428.db2.gz FIRKHBSQTLBLME-JTQLQIEISA-N 0 3 292.343 -1.023 20 0 CAADHN COc1ncc(C(=O)N2CC[C@H](NCC(N)=O)C2)cn1 ZINC001019602211 657272637 /nfs/dbraw/zinc/27/26/37/657272637.db2.gz KASXJHHAHUIBBR-VIFPVBQESA-N 0 3 279.300 -1.225 20 0 CAADHN C[C@H]([NH2+][C@H]1CCN(C(=O)c2nc[n-]n2)C1)C(N)=O ZINC001019533416 657272978 /nfs/dbraw/zinc/27/29/78/657272978.db2.gz QTGOBILVHIEZKM-BQBZGAKWSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2nc[nH]n2)C1)C(N)=O ZINC001019533416 657272984 /nfs/dbraw/zinc/27/29/84/657272984.db2.gz QTGOBILVHIEZKM-BQBZGAKWSA-N 0 3 252.278 -1.517 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001019533397 657273225 /nfs/dbraw/zinc/27/32/25/657273225.db2.gz PQTZIJSPVHVCOM-YUMQZZPRSA-N 0 3 264.289 -1.503 20 0 CAADHN O=C(c1nc[nH]n1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019533397 657273230 /nfs/dbraw/zinc/27/32/30/657273230.db2.gz PQTZIJSPVHVCOM-YUMQZZPRSA-N 0 3 264.289 -1.503 20 0 CAADHN O=C(c1cnon1)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001019540300 657273611 /nfs/dbraw/zinc/27/36/11/657273611.db2.gz OSKPZMVHSBYVQF-JGVFFNPUSA-N 0 3 293.283 -1.321 20 0 CAADHN CCn1cc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)nn1 ZINC001019579294 657273675 /nfs/dbraw/zinc/27/36/75/657273675.db2.gz MFAFXHKAHFTUKB-UWVGGRQHSA-N 0 3 292.343 -1.009 20 0 CAADHN Cn1nnnc1CN[C@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC001019628493 657274282 /nfs/dbraw/zinc/27/42/82/657274282.db2.gz BYWAIQXPYFYGCQ-QMMMGPOBSA-N 0 3 291.319 -1.739 20 0 CAADHN Cn1cccc(C(=O)N2CC[C@H](NCC(N)=O)C2)c1=O ZINC001019671510 657274815 /nfs/dbraw/zinc/27/48/15/657274815.db2.gz GDNBPGRWMZDUBO-VIFPVBQESA-N 0 3 278.312 -1.325 20 0 CAADHN CN1CCCC[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1=O ZINC001019643814 657274828 /nfs/dbraw/zinc/27/48/28/657274828.db2.gz BNZFAWLIZJKHNF-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CN1CC[C@H](N[C@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1=O ZINC001019678544 657274961 /nfs/dbraw/zinc/27/49/61/657274961.db2.gz MIKOMKPLMCMFJD-DCAQKATOSA-N 0 3 294.355 -1.314 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(N)=O ZINC001019678514 657276018 /nfs/dbraw/zinc/27/60/18/657276018.db2.gz KUDPSBRKRAQTHR-VGMNWLOBSA-N 0 3 268.317 -1.671 20 0 CAADHN CN1C(=O)CN(CC(=O)N2CC[C@H](NCC(N)=O)C2)C1=O ZINC001019645916 657276069 /nfs/dbraw/zinc/27/60/69/657276069.db2.gz WFVYPUKVZOKSTP-QMMMGPOBSA-N 0 3 297.315 -2.444 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1)C(N)=O ZINC001019741378 657277520 /nfs/dbraw/zinc/27/75/20/657277520.db2.gz VPTSITYTSQLSEB-BDAKNGLRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2cncn2)C1)C(N)=O ZINC001019745388 657277923 /nfs/dbraw/zinc/27/79/23/657277923.db2.gz KLOBPTBBQADBIE-BDAKNGLRSA-N 0 3 266.305 -1.658 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(N)=O ZINC001019678729 657277936 /nfs/dbraw/zinc/27/79/36/657277936.db2.gz VSBOGXIFXNOQIM-AEJSXWLSSA-N 0 3 282.344 -1.281 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)Cn2cncn2)C1)C(N)=O ZINC001019746659 657278104 /nfs/dbraw/zinc/27/81/04/657278104.db2.gz HAFRZDFMFWMOBG-VHSXEESVSA-N 0 3 280.332 -1.268 20 0 CAADHN Cc1nc[nH]c1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019707470 657278531 /nfs/dbraw/zinc/27/85/31/657278531.db2.gz GKWVQUGMTLDQMP-VIFPVBQESA-N 0 3 265.317 -1.064 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cnn3cc[nH]c23)C1 ZINC001019706185 657278764 /nfs/dbraw/zinc/27/87/64/657278764.db2.gz CKPURKWHIJDRJQ-QMMMGPOBSA-N 0 3 276.300 -1.048 20 0 CAADHN Cc1nn(CC(=O)N2CC[C@H](NCC(N)=O)C2)c(=O)n1C ZINC001019722588 657278812 /nfs/dbraw/zinc/27/88/12/657278812.db2.gz GQOVNKVORQEUJY-VIFPVBQESA-N 0 3 296.331 -2.434 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001019779359 657279227 /nfs/dbraw/zinc/27/92/27/657279227.db2.gz XNAWDXZPVBSFKO-QMMMGPOBSA-N 0 3 279.300 -1.597 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCN2CCCC2=O)C1 ZINC001019785141 657279362 /nfs/dbraw/zinc/27/93/62/657279362.db2.gz UVUWPVJNHCKZAH-JTQLQIEISA-N 0 3 282.344 -1.325 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019780279 657279602 /nfs/dbraw/zinc/27/96/02/657279602.db2.gz RWKFKBXMIMEAES-NEPJUHHUSA-N 0 3 298.387 -1.370 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCc3nncn3C2)C1 ZINC001019807178 657279751 /nfs/dbraw/zinc/27/97/51/657279751.db2.gz BQUHMXGNYPVOIK-ZJUUUORDSA-N 0 3 292.343 -1.484 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 ZINC001019807177 657280249 /nfs/dbraw/zinc/28/02/49/657280249.db2.gz BQUHMXGNYPVOIK-UWVGGRQHSA-N 0 3 292.343 -1.484 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)n(C)c1=O ZINC001019837181 657280563 /nfs/dbraw/zinc/28/05/63/657280563.db2.gz GSYUAQOXDWVKPZ-QMMMGPOBSA-N 0 3 281.316 -1.987 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CCc2cn(C)nn2)C1)C(N)=O ZINC001019884046 657281085 /nfs/dbraw/zinc/28/10/85/657281085.db2.gz RVBNLKGNPVIZHM-ZJUUUORDSA-N 0 3 294.359 -1.188 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)Cn2cnnn2)C1 ZINC001019975501 657281320 /nfs/dbraw/zinc/28/13/20/657281320.db2.gz CSDWJLCXMNFSKY-KYZUINATSA-N 0 3 291.319 -1.761 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2ccnc2)C1)C(N)=O ZINC001019867825 657281707 /nfs/dbraw/zinc/28/17/07/657281707.db2.gz MBYNPCQSQHEMCC-ZJUUUORDSA-N 0 3 265.317 -1.053 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cc(C(N)=O)ccn2)C1 ZINC001019901168 657282020 /nfs/dbraw/zinc/28/20/20/657282020.db2.gz MTPDDVDSRDBMNI-VIFPVBQESA-N 0 3 291.311 -1.530 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001019868450 657282038 /nfs/dbraw/zinc/28/20/38/657282038.db2.gz FKTHJHLBPPIQMN-VIFPVBQESA-N 0 3 251.290 -1.441 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)c2cnnn2C)C1 ZINC001020118446 657287398 /nfs/dbraw/zinc/28/73/98/657287398.db2.gz RGZGYPBFSDRCEZ-KYZUINATSA-N 0 3 290.331 -1.006 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)Cn2ncnn2)C1 ZINC001020156246 657290521 /nfs/dbraw/zinc/29/05/21/657290521.db2.gz CJFBQEBMHUYGJG-KYZUINATSA-N 0 3 291.319 -1.761 20 0 CAADHN C[C@H]([NH2+][C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1)C(N)=O ZINC001020274762 657293067 /nfs/dbraw/zinc/29/30/67/657293067.db2.gz RBSZFVDUAFSYOJ-FXQIFTODSA-N 0 3 279.300 -1.094 20 0 CAADHN O=C(N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)c1cnc[n-]c1=O ZINC001020275493 657293270 /nfs/dbraw/zinc/29/32/70/657293270.db2.gz QSWFTUCABCWIRE-NQMVMOMDSA-N 0 3 291.311 -1.079 20 0 CAADHN NC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001020366138 657294601 /nfs/dbraw/zinc/29/46/01/657294601.db2.gz CXVHCYHAJSFUMM-IWSPIJDZSA-N 0 3 289.357 -1.857 20 0 CAADHN Cn1cnn(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCO)c1=O ZINC001095649507 782190977 /nfs/dbraw/zinc/19/09/77/782190977.db2.gz YSAFRNKCPFSWEP-VWYCJHECSA-N 0 3 295.343 -1.704 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001095540660 782191184 /nfs/dbraw/zinc/19/11/84/782191184.db2.gz GJHMYRDBGOHIRQ-WOPDTQHZSA-N 0 3 297.355 -1.441 20 0 CAADHN C[C@@H]1CN(CCN2CC[C@@](O)(C(N)=O)C2)CCO1 ZINC001257390499 782193004 /nfs/dbraw/zinc/19/30/04/782193004.db2.gz FTXAADQCXPPIQM-PWSUYJOCSA-N 0 3 257.334 -1.371 20 0 CAADHN CCN(C(=O)[C@@H]1CNCCN1C)[C@H]1CCS(=O)(=O)C1 ZINC000686123135 782193919 /nfs/dbraw/zinc/19/39/19/782193919.db2.gz FDRYVYROIJTGLA-QWRGUYRKSA-N 0 3 289.401 -1.074 20 0 CAADHN CC(C)NC(=O)CN(C)C(=O)[C@@H]1CNCCN1C ZINC000686122653 782194275 /nfs/dbraw/zinc/19/42/75/782194275.db2.gz SJMOVBVQENXWQZ-JTQLQIEISA-N 0 3 256.350 -1.127 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)[C@@H]1CNCCN1C ZINC000686123344 782194601 /nfs/dbraw/zinc/19/46/01/782194601.db2.gz BQKQCKSEECCBCD-NSHDSACASA-N 0 3 286.376 -1.547 20 0 CAADHN CCN(C(=O)[C@H]1CNCCN1C)[C@H]1CCS(=O)(=O)C1 ZINC000686123136 782194484 /nfs/dbraw/zinc/19/44/84/782194484.db2.gz FDRYVYROIJTGLA-WDEREUQCSA-N 0 3 289.401 -1.074 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000686126397 782194619 /nfs/dbraw/zinc/19/46/19/782194619.db2.gz MBWWKODFTAXLPF-JTQLQIEISA-N 0 3 290.389 -2.006 20 0 CAADHN CCN(C(=O)[C@@H]1CNCCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC000686123134 782194687 /nfs/dbraw/zinc/19/46/87/782194687.db2.gz FDRYVYROIJTGLA-MNOVXSKESA-N 0 3 289.401 -1.074 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000686925023 782196978 /nfs/dbraw/zinc/19/69/78/782196978.db2.gz ITZNLDHZZSCRCG-VHSXEESVSA-N 0 3 254.334 -1.325 20 0 CAADHN O=C(CCN1C(=O)CCC1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114540288 782205327 /nfs/dbraw/zinc/20/53/27/782205327.db2.gz MWOFWBSCFPYDTK-MSRIBSCDSA-N 0 3 295.339 -1.436 20 0 CAADHN Cc1nnc(CNC[C@H]2CCC[C@H]2NC(=O)C(N)=O)[nH]1 ZINC001037068238 782206304 /nfs/dbraw/zinc/20/63/04/782206304.db2.gz KQWKTTHAYBPBGL-RKDXNWHRSA-N 0 3 280.332 -1.027 20 0 CAADHN Cn1cc(CNC[C@@H]2CCC[C@H]2NC(=O)C(N)=O)nn1 ZINC001037068649 782206363 /nfs/dbraw/zinc/20/63/63/782206363.db2.gz QCTPYCAZBWVJNV-WCBMZHEXSA-N 0 3 280.332 -1.325 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114624599 782207601 /nfs/dbraw/zinc/20/76/01/782207601.db2.gz VLVSYWDCWOIBHR-MBTKJCJQSA-N 0 3 292.361 -2.921 20 0 CAADHN Cn1cnn(CCC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)c1=O ZINC001114619072 782207826 /nfs/dbraw/zinc/20/78/26/782207826.db2.gz PUMZRDJGRXUJDP-IAZYJMLFSA-N 0 3 295.343 -1.989 20 0 CAADHN COC[C@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692124 782209266 /nfs/dbraw/zinc/20/92/66/782209266.db2.gz BUBNUHWVJXYRBT-IMSYWVGJSA-N 0 3 296.331 -2.123 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114677658 782209996 /nfs/dbraw/zinc/20/99/96/782209996.db2.gz GCSQOHNMOSSECY-WYOJIJJFSA-N 0 3 255.318 -1.463 20 0 CAADHN COC[C@@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114692121 782209890 /nfs/dbraw/zinc/20/98/90/782209890.db2.gz BUBNUHWVJXYRBT-AXTSPUMRSA-N 0 3 296.331 -2.123 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)[C@H]1CCNC1=O ZINC001114663123 782210065 /nfs/dbraw/zinc/21/00/65/782210065.db2.gz RRJOCFANQZPXBE-NNYUYHANSA-N 0 3 297.355 -1.822 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)[C@@H]1CCNC1=O ZINC001114663124 782210165 /nfs/dbraw/zinc/21/01/65/782210165.db2.gz RRJOCFANQZPXBE-WYUUTHIRSA-N 0 3 297.355 -1.822 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114677656 782210232 /nfs/dbraw/zinc/21/02/32/782210232.db2.gz GCSQOHNMOSSECY-REIXXSIJSA-N 0 3 255.318 -1.463 20 0 CAADHN CC(=O)NCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC001114752932 782211730 /nfs/dbraw/zinc/21/17/30/782211730.db2.gz NJMFWEGLIHHTGQ-URLYPYJESA-N 0 3 298.343 -2.329 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC1 ZINC001114757734 782211715 /nfs/dbraw/zinc/21/17/15/782211715.db2.gz PIJLBGNDODWGES-BRPSZJMVSA-N 0 3 253.302 -1.709 20 0 CAADHN COC[C@H](OC)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114810454 782213930 /nfs/dbraw/zinc/21/39/30/782213930.db2.gz RQKMAHWVXBNYOA-ZRUFSTJUSA-N 0 3 258.318 -1.314 20 0 CAADHN O=C(CCCNS(=O)(=O)C1CNC1)NC1CC1 ZINC000722100000 782216854 /nfs/dbraw/zinc/21/68/54/782216854.db2.gz MQEBTRRHUZKESS-UHFFFAOYSA-N 0 3 261.347 -1.064 20 0 CAADHN NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cnn[nH]1 ZINC001114858807 782217306 /nfs/dbraw/zinc/21/73/06/782217306.db2.gz IOGJRCKLUNOFHV-GDGBQDQQSA-N 0 3 278.316 -1.731 20 0 CAADHN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)C1CNC1 ZINC000722104743 782218111 /nfs/dbraw/zinc/21/81/11/782218111.db2.gz OYGIMTSBQSDAQP-YUMQZZPRSA-N 0 3 261.347 -1.126 20 0 CAADHN CN(C)C(=O)N1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000722105103 782218148 /nfs/dbraw/zinc/21/81/48/782218148.db2.gz RXQDTLCEORCPQE-UHFFFAOYSA-N 0 3 276.362 -1.413 20 0 CAADHN COCCNC(=O)CNS(=O)(=O)C1CNC1 ZINC000722114641 782218568 /nfs/dbraw/zinc/21/85/68/782218568.db2.gz RFZILQWKBXDXGA-UHFFFAOYSA-N 0 3 251.308 -2.360 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114872080 782221320 /nfs/dbraw/zinc/22/13/20/782221320.db2.gz JMCOQXIEVZDRJM-WHOHXGKFSA-N 0 3 269.345 -1.060 20 0 CAADHN CC(=O)N1CCCN(S(=O)(=O)C2CNC2)CC1 ZINC000722120775 782222065 /nfs/dbraw/zinc/22/20/65/782222065.db2.gz BASMVLRDQQGWLF-UHFFFAOYSA-N 0 3 261.347 -1.158 20 0 CAADHN O=C(CNS(=O)(=O)C1CNC1)N1CCOCC1 ZINC000722131590 782222409 /nfs/dbraw/zinc/22/24/09/782222409.db2.gz BJXATJMOWVPHEN-UHFFFAOYSA-N 0 3 263.319 -2.264 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114888997 782223435 /nfs/dbraw/zinc/22/34/35/782223435.db2.gz RRQJSNCLJTZNFQ-IMSYWVGJSA-N 0 3 291.373 -2.037 20 0 CAADHN CCn1ccc(=O)n(C[C@H](O)CN(C)CCOC)c1=O ZINC000380633005 782230137 /nfs/dbraw/zinc/23/01/37/782230137.db2.gz IVUWNIOGLGDYMG-LLVKDONJSA-N 0 3 285.344 -1.031 20 0 CAADHN CC(=O)NCC1(O)CN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001041066862 782233572 /nfs/dbraw/zinc/23/35/72/782233572.db2.gz GQQWRBPOFUXLCM-VXGBXAGGSA-N 0 3 297.355 -1.441 20 0 CAADHN CC(=O)NCC1(O)CN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001041066853 782233695 /nfs/dbraw/zinc/23/36/95/782233695.db2.gz GQQWRBPOFUXLCM-RYUDHWBXSA-N 0 3 297.355 -1.441 20 0 CAADHN CN(CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)C(N)=O ZINC001067010691 782234562 /nfs/dbraw/zinc/23/45/62/782234562.db2.gz SVQDJUDXCRZAAO-JTQLQIEISA-N 0 3 284.360 -1.127 20 0 CAADHN CN(CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)C(N)=O ZINC001067010692 782234925 /nfs/dbraw/zinc/23/49/25/782234925.db2.gz SVQDJUDXCRZAAO-SNVBAGLBSA-N 0 3 284.360 -1.127 20 0 CAADHN COC[C@@H](O)CNCCS(=O)(=O)N1CCOCC1 ZINC000381252148 782239431 /nfs/dbraw/zinc/23/94/31/782239431.db2.gz MSOGODNFPHUSIK-JTQLQIEISA-N 0 3 282.362 -1.755 20 0 CAADHN CNC(=O)[C@H]1CCCCN1S(=O)(=O)C1CNC1 ZINC000722108776 782254674 /nfs/dbraw/zinc/25/46/74/782254674.db2.gz GGJIJTPCLFAGBN-SECBINFHSA-N 0 3 261.347 -1.112 20 0 CAADHN CN1CC(C(=O)NC[C@@H]2CCN2CCO)=NC1=O ZINC001038662748 782253845 /nfs/dbraw/zinc/25/38/45/782253845.db2.gz KOAYPHJAIGBHAO-QMMMGPOBSA-N 0 3 254.290 -1.078 20 0 CAADHN O=S(=O)(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)N1CCNCC1 ZINC000724600987 782268760 /nfs/dbraw/zinc/26/87/60/782268760.db2.gz UAFTZWNYUQPJRC-VWYCJHECSA-N 0 3 291.373 -1.470 20 0 CAADHN C[C@H](O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(N)=O ZINC001039426608 782269183 /nfs/dbraw/zinc/26/91/83/782269183.db2.gz LLBUKUWBPHOZSH-AEJSXWLSSA-N 0 3 255.318 -1.082 20 0 CAADHN CN1C[C@H](CCNS(=O)(=O)C2CNC2)CC1=O ZINC000723532236 782269653 /nfs/dbraw/zinc/26/96/53/782269653.db2.gz HIWOZDSPLRKLCQ-MRVPVSSYSA-N 0 3 261.347 -1.254 20 0 CAADHN CNC(=O)[C@@H](C)N1CCC2(CCN(C(=O)C(N)=O)C2)CC1 ZINC001040827796 782286100 /nfs/dbraw/zinc/28/61/00/782286100.db2.gz BFJSRLPDPLKUOH-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)[C@H](C)N1CCC2(CCN(C(=O)C(N)=O)C2)CC1 ZINC001040827794 782286457 /nfs/dbraw/zinc/28/64/57/782286457.db2.gz BFJSRLPDPLKUOH-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)NCC1(O)CN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001041066844 782292224 /nfs/dbraw/zinc/29/22/24/782292224.db2.gz GQQWRBPOFUXLCM-NEPJUHHUSA-N 0 3 297.355 -1.441 20 0 CAADHN COCC(=O)NCC1(O)CN(C(=O)CN(C)C2CCC2)C1 ZINC001041160516 782297819 /nfs/dbraw/zinc/29/78/19/782297819.db2.gz OXKCVXJLEPRIQO-UHFFFAOYSA-N 0 3 299.371 -1.193 20 0 CAADHN CC[C@H](C(=O)N1CC(O)(CNC(=O)COC)C1)N(C)C ZINC001041153558 782296436 /nfs/dbraw/zinc/29/64/36/782296436.db2.gz HFZJBAGOKFUYGX-SNVBAGLBSA-N 0 3 287.360 -1.338 20 0 CAADHN COCC(=O)NCC1(O)CN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001041161125 782298338 /nfs/dbraw/zinc/29/83/38/782298338.db2.gz UBFSYCBWIUGNII-NSHDSACASA-N 0 3 299.371 -1.193 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@]2(CCN(C(=O)C(N)=O)C2)C1 ZINC001041628673 782314067 /nfs/dbraw/zinc/31/40/67/782314067.db2.gz LSSXSSGJGMJPIQ-TVQRCGJNSA-N 0 3 282.344 -1.340 20 0 CAADHN CN1CC[C@H](N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1=O ZINC001041630414 782314171 /nfs/dbraw/zinc/31/41/71/782314171.db2.gz VBFDDLAVQXLIID-HZMBPMFUSA-N 0 3 294.355 -1.373 20 0 CAADHN CN1CC[C@@H](N2CC[C@]3(CCN(C(=O)C(N)=O)C3)C2)C1=O ZINC001041630417 782314310 /nfs/dbraw/zinc/31/43/10/782314310.db2.gz VBFDDLAVQXLIID-YGRLFVJLSA-N 0 3 294.355 -1.373 20 0 CAADHN NC(=O)C(=O)N1CC[C@@]2(CCN([C@@H]3CCCNC3=O)C2)C1 ZINC001041623554 782314359 /nfs/dbraw/zinc/31/43/59/782314359.db2.gz PWPLCKCUMZCOFU-QMTHXVAHSA-N 0 3 294.355 -1.325 20 0 CAADHN NC(=O)C(=O)N1CC[C@]2(CCN([C@@H]3CCCNC3=O)C2)C1 ZINC001041623555 782315331 /nfs/dbraw/zinc/31/53/31/782315331.db2.gz PWPLCKCUMZCOFU-YGRLFVJLSA-N 0 3 294.355 -1.325 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H]3CCN(CCO)[C@@H]3C2)n1 ZINC001042190106 782324905 /nfs/dbraw/zinc/32/49/05/782324905.db2.gz LIGZEAYMWTULKQ-NXEZZACHSA-N 0 3 280.332 -1.261 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2CCN(CCCO)[C@@H]2C1 ZINC001042212055 782326383 /nfs/dbraw/zinc/32/63/83/782326383.db2.gz YTSAGILBRRJNDY-NXEZZACHSA-N 0 3 255.318 -1.223 20 0 CAADHN CN(C(=O)[C@@H]1CCCN1C)C1CN(Cc2nnn(C)n2)C1 ZINC001042545430 782337129 /nfs/dbraw/zinc/33/71/29/782337129.db2.gz CYRWNROOOKTUOE-NSHDSACASA-N 0 3 293.375 -1.053 20 0 CAADHN CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CN(CCO)C1 ZINC001043392732 782364779 /nfs/dbraw/zinc/36/47/79/782364779.db2.gz WWNHDSDSPJIGTH-QRJNDHJOSA-N 0 3 295.383 -1.016 20 0 CAADHN CN(C)[C@H](C(=O)NCC1(O)CN(C(=O)C(N)=O)C1)C1CC1 ZINC001043466041 782365506 /nfs/dbraw/zinc/36/55/06/782365506.db2.gz XXDGKOPWPDOBFN-VIFPVBQESA-N 0 3 298.343 -2.499 20 0 CAADHN COCC(=O)N1CC(O)(CNC(=O)CN(C)C(C)C)C1 ZINC001043428684 782365674 /nfs/dbraw/zinc/36/56/74/782365674.db2.gz SDUGSUOCXJGTET-UHFFFAOYSA-N 0 3 287.360 -1.338 20 0 CAADHN COCC(=O)N1CC(O)(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001043462763 782366094 /nfs/dbraw/zinc/36/60/94/782366094.db2.gz KDPKGCHDGCKWPI-LBPRGKRZSA-N 0 3 299.371 -1.338 20 0 CAADHN CN(C)[C@@H](C(=O)NCC1(O)CN(C(=O)C(N)=O)C1)C1CC1 ZINC001043466032 782366328 /nfs/dbraw/zinc/36/63/28/782366328.db2.gz XXDGKOPWPDOBFN-SECBINFHSA-N 0 3 298.343 -2.499 20 0 CAADHN C[C@@H]1CCN(CC(=O)N(C)C2CN(CC(N)=O)C2)C1 ZINC001043873111 782383267 /nfs/dbraw/zinc/38/32/67/782383267.db2.gz BUDRQNPMGOVLRO-SNVBAGLBSA-N 0 3 268.361 -1.044 20 0 CAADHN CN(C(=O)Cc1c[nH]cn1)C1CN(CC(N)=O)C1 ZINC001043978377 782387035 /nfs/dbraw/zinc/38/70/35/782387035.db2.gz UXDPKPLNPCMKAP-UHFFFAOYSA-N 0 3 251.290 -1.420 20 0 CAADHN C[C@H](O)CN1CC(N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001044163767 782390628 /nfs/dbraw/zinc/39/06/28/782390628.db2.gz WSBJKBFXOLYZPF-QMMMGPOBSA-N 0 3 253.306 -1.129 20 0 CAADHN CN(C(=O)Cc1c[nH]cn1)C1CN([C@H]2CCNC2=O)C1 ZINC001043978026 782384981 /nfs/dbraw/zinc/38/49/81/782384981.db2.gz NWWPDDUTNGNWJP-NSHDSACASA-N 0 3 277.328 -1.017 20 0 CAADHN CNC(=O)CN1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001044295509 782395517 /nfs/dbraw/zinc/39/55/17/782395517.db2.gz UIQJFCMQOUTBOQ-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN CN(C(=O)CN1CCCC1)C1CN(CC(N)=O)C1 ZINC001044295750 782396152 /nfs/dbraw/zinc/39/61/52/782396152.db2.gz ZOOYVIFVUJQHTP-UHFFFAOYSA-N 0 3 254.334 -1.290 20 0 CAADHN C[C@H]1C[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1nc[n-]n1 ZINC001044781216 782407630 /nfs/dbraw/zinc/40/76/30/782407630.db2.gz KWRJFQXKINQMFU-JGVFFNPUSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1nc[n-]n1 ZINC001044781217 782408763 /nfs/dbraw/zinc/40/87/63/782408763.db2.gz KWRJFQXKINQMFU-SFYZADRCSA-N 0 3 266.305 -1.127 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001044967664 782409812 /nfs/dbraw/zinc/40/98/12/782409812.db2.gz RMHQSKPGXZXMLI-IUCAKERBSA-N 0 3 268.317 -1.669 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001045020218 782410345 /nfs/dbraw/zinc/41/03/45/782410345.db2.gz JCAPSANBYLNPSA-UWVGGRQHSA-N 0 3 292.343 -1.102 20 0 CAADHN CCN1CC[C@@H](NC[C@@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001045176244 782410868 /nfs/dbraw/zinc/41/08/68/782410868.db2.gz CTIQPSBPWYWIAP-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)n1 ZINC001045159485 782410983 /nfs/dbraw/zinc/41/09/83/782410983.db2.gz SQKYJNBJHRJSBB-DTWKUNHWSA-N 0 3 293.331 -1.707 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)nn1 ZINC001045022778 782411110 /nfs/dbraw/zinc/41/11/10/782411110.db2.gz PHRXTGVQGICXBZ-UWVGGRQHSA-N 0 3 292.343 -1.102 20 0 CAADHN COCC(=O)N1CCC[C@H]1C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001044886285 782407997 /nfs/dbraw/zinc/40/79/97/782407997.db2.gz OTGRSDFGVCMHJA-VIFPVBQESA-N 0 3 283.332 -1.165 20 0 CAADHN O=C(Cn1ncnn1)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001045040859 782411901 /nfs/dbraw/zinc/41/19/01/782411901.db2.gz XXCDBXLASCWIMZ-VHSXEESVSA-N 0 3 293.331 -1.858 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]1CN[C@@H]1CCC(=O)NC1=O ZINC001045179098 782413088 /nfs/dbraw/zinc/41/30/88/782413088.db2.gz VQVQZRWUBCDACZ-JGVFFNPUSA-N 0 3 282.300 -2.143 20 0 CAADHN Cn1cncc1CNC[C@@H]1CCCN1C(=O)C(N)=O ZINC001045177764 782413581 /nfs/dbraw/zinc/41/35/81/782413581.db2.gz QKMOOKJKQOKHQJ-VIFPVBQESA-N 0 3 265.317 -1.014 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001045245653 782414768 /nfs/dbraw/zinc/41/47/68/782414768.db2.gz QICSKKCFIIRQNA-IUCAKERBSA-N 0 3 278.316 -1.113 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)n1 ZINC001045238608 782414859 /nfs/dbraw/zinc/41/48/59/782414859.db2.gz BJNMLSPEIQTBQV-UWVGGRQHSA-N 0 3 292.343 -1.102 20 0 CAADHN CCN(CC)CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045496770 782418045 /nfs/dbraw/zinc/41/80/45/782418045.db2.gz NHKZBCXAISLSIA-UHFFFAOYSA-N 0 3 286.332 -2.497 20 0 CAADHN C[C@H]1CCCN1CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045500432 782418937 /nfs/dbraw/zinc/41/89/37/782418937.db2.gz RHAKDWLCCUENIB-VIFPVBQESA-N 0 3 298.343 -2.355 20 0 CAADHN CN(C)C1(C(=O)N2CC(O)(CNC(=O)C(N)=O)C2)CCC1 ZINC001045500269 782419274 /nfs/dbraw/zinc/41/92/74/782419274.db2.gz PBDZTEKOMMQYCQ-UHFFFAOYSA-N 0 3 298.343 -2.355 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1 ZINC001045503976 782419952 /nfs/dbraw/zinc/41/99/52/782419952.db2.gz FTYVFFZPJOFRLK-UHFFFAOYSA-N 0 3 286.332 -2.499 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@H]1CCNC1=O ZINC001045838394 782430838 /nfs/dbraw/zinc/43/08/38/782430838.db2.gz SSNQWCBWBAGFJD-UTLUCORTSA-N 0 3 280.328 -1.575 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2[C@H]1CCCNC1=O ZINC001045837989 782429799 /nfs/dbraw/zinc/42/97/99/782429799.db2.gz DXLHWTVWTHIUDH-VWYCJHECSA-N 0 3 294.355 -1.184 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@@]2(C)CCN(CCO)C2)C1 ZINC001046221124 782434027 /nfs/dbraw/zinc/43/40/27/782434027.db2.gz XIJSLQSPJGWFTR-AAEUAGOBSA-N 0 3 271.361 -1.110 20 0 CAADHN O=C(c1nc[n-]n1)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046071819 782435108 /nfs/dbraw/zinc/43/51/08/782435108.db2.gz NRWVFVCGTBMUQU-LLVKDONJSA-N 0 3 294.359 -1.371 20 0 CAADHN O=C(c1nc[n-]n1)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001046071819 782435115 /nfs/dbraw/zinc/43/51/15/782435115.db2.gz NRWVFVCGTBMUQU-LLVKDONJSA-N 0 3 294.359 -1.371 20 0 CAADHN C[C@]1(NC(=O)[C@H]2CCNC2=O)CCN(CCO)C1 ZINC001046538167 782440518 /nfs/dbraw/zinc/44/05/18/782440518.db2.gz HEIWSNJNGPKLSV-CABZTGNLSA-N 0 3 255.318 -1.305 20 0 CAADHN Cn1cc(C(=O)N[C@@]2(C)CCN(CCO)C2)ncc1=O ZINC001046499123 782441744 /nfs/dbraw/zinc/44/17/44/782441744.db2.gz OVARKPDOJOBZHX-ZDUSSCGKSA-N 0 3 280.328 -1.033 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@]2(C)CCN(CCO)C2)NC1=O ZINC001046535398 782441920 /nfs/dbraw/zinc/44/19/20/782441920.db2.gz NAEUTCUEWLTMLM-CABZTGNLSA-N 0 3 270.333 -1.417 20 0 CAADHN CN1C[C@H](C(=O)N[C@]2(C)CCN(CCO)C2)NC1=O ZINC001046535395 782441992 /nfs/dbraw/zinc/44/19/92/782441992.db2.gz NAEUTCUEWLTMLM-BXKDBHETSA-N 0 3 270.333 -1.417 20 0 CAADHN Cn1cc(C(=O)N[C@]2(C)CCN(CCO)C2)ncc1=O ZINC001046499121 782442179 /nfs/dbraw/zinc/44/21/79/782442179.db2.gz OVARKPDOJOBZHX-CYBMUJFWSA-N 0 3 280.328 -1.033 20 0 CAADHN Cn1nnc(C(=O)N[C@]2(C)CCN(CCCO)C2)n1 ZINC001046546170 782442341 /nfs/dbraw/zinc/44/23/41/782442341.db2.gz CXNPVEROMSJUAV-LLVKDONJSA-N 0 3 268.321 -1.213 20 0 CAADHN COCCN1CC[C@](C)(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001046661087 782442894 /nfs/dbraw/zinc/44/28/94/782442894.db2.gz DYEPTKRJZFUIBF-ZANVPECISA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(CCO)C1 ZINC001046585021 782443599 /nfs/dbraw/zinc/44/35/99/782443599.db2.gz DFKFHJGVXOXMRF-LDYMZIIASA-N 0 3 256.306 -1.759 20 0 CAADHN CNC(=O)CN1CC[C@@](C)(NC(=O)c2ncn[nH]2)C1 ZINC001046711296 782446059 /nfs/dbraw/zinc/44/60/59/782446059.db2.gz HQXDQBIHUJTYFQ-LLVKDONJSA-N 0 3 266.305 -1.255 20 0 CAADHN CNC(=O)CN1CC[C@](C)(NC(=O)c2ncn[nH]2)C1 ZINC001046711297 782446843 /nfs/dbraw/zinc/44/68/43/782446843.db2.gz HQXDQBIHUJTYFQ-NSHDSACASA-N 0 3 266.305 -1.255 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N[C@]2(C)CCN(CCO)C2)C1 ZINC001046815200 782447676 /nfs/dbraw/zinc/44/76/76/782447676.db2.gz PZFMGCRNYZVSAP-TZMCWYRMSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@]1(NC(=O)[C@H]2CCS(=O)(=O)N2)CCN(CCO)C1 ZINC001046843675 782449107 /nfs/dbraw/zinc/44/91/07/782449107.db2.gz AVZFJDKBNZBFCL-KOLCDFICSA-N 0 3 291.373 -1.749 20 0 CAADHN CCN1CC[C@@](C)(NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001046853849 782449151 /nfs/dbraw/zinc/44/91/51/782449151.db2.gz GCXHLGHRVVOHKH-GFCCVEGCSA-N 0 3 280.332 -1.023 20 0 CAADHN Cn1nc(C(=O)N[C@]2(C)CCN(CCO)C2)ccc1=O ZINC001046822467 782449159 /nfs/dbraw/zinc/44/91/59/782449159.db2.gz RBFLEALGAQTMKQ-CYBMUJFWSA-N 0 3 280.328 -1.033 20 0 CAADHN NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(CC(=O)N1CCC1)C2 ZINC001047132783 782452788 /nfs/dbraw/zinc/45/27/88/782452788.db2.gz CTAYTORDMJKGLT-AXFHLTTASA-N 0 3 294.355 -1.327 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001047296595 782456635 /nfs/dbraw/zinc/45/66/35/782456635.db2.gz OCVXVJIPCLQGSF-UWVGGRQHSA-N 0 3 268.321 -1.415 20 0 CAADHN CN(C(=O)[C@H]1CCCN1C)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047323957 782460385 /nfs/dbraw/zinc/46/03/85/782460385.db2.gz DEMXUYOPTUUQDK-AGIUHOORSA-N 0 3 285.388 -1.034 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001047358098 782464766 /nfs/dbraw/zinc/46/47/66/782464766.db2.gz QDNBAGFQCVKPHR-UWVGGRQHSA-N 0 3 283.332 -1.104 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2)C1 ZINC001047354053 782465149 /nfs/dbraw/zinc/46/51/49/782465149.db2.gz UIVBPIPOSNDDJC-RYUDHWBXSA-N 0 3 271.361 -1.158 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001047334194 782462767 /nfs/dbraw/zinc/46/27/67/782462767.db2.gz ZUNFRUAYDADZBJ-SRVKXCTJSA-N 0 3 271.361 -1.160 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001047433666 782474270 /nfs/dbraw/zinc/47/42/70/782474270.db2.gz GLWJTBOQIKTACF-UWVGGRQHSA-N 0 3 283.332 -1.895 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCN(C)C(=O)C2)C1 ZINC001047433151 782474800 /nfs/dbraw/zinc/47/48/00/782474800.db2.gz ZJRRAKQQKZOQOQ-RYUDHWBXSA-N 0 3 298.387 -1.716 20 0 CAADHN C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)c2cnc[nH]c2=O)C1 ZINC001047423800 782475064 /nfs/dbraw/zinc/47/50/64/782475064.db2.gz COXPDZZCZPGIBR-MIMYLULJSA-N 0 3 296.327 -1.320 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001047414740 782475217 /nfs/dbraw/zinc/47/52/17/782475217.db2.gz VHOOSOLOJNJWCX-CIUDSAMLSA-N 0 3 284.316 -1.892 20 0 CAADHN CN(C(=O)c1cnc[nH]c1=O)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047421634 782475377 /nfs/dbraw/zinc/47/53/77/782475377.db2.gz MBARRBBXYVRZOM-QWRGUYRKSA-N 0 3 296.327 -1.318 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381036 782470669 /nfs/dbraw/zinc/47/06/69/782470669.db2.gz DVVQFSDUGVBDIH-IUCAKERBSA-N 0 3 254.294 -1.804 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381376 782470724 /nfs/dbraw/zinc/47/07/24/782470724.db2.gz JLZUOXSTHLRVON-UWVGGRQHSA-N 0 3 268.321 -1.415 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001047410076 782475877 /nfs/dbraw/zinc/47/58/77/782475877.db2.gz DCMZRGMUIBSCBF-QWRGUYRKSA-N 0 3 285.344 -1.631 20 0 CAADHN CN(C(=O)[C@H]1CCNC1=O)[C@H]1CN(CCCF)C[C@@H]1O ZINC001047482984 782480737 /nfs/dbraw/zinc/48/07/37/782480737.db2.gz RUAFRHOXNAGNOU-DCAQKATOSA-N 0 3 287.335 -1.014 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCNC2=O)C1 ZINC001047486255 782481028 /nfs/dbraw/zinc/48/10/28/782481028.db2.gz HDRCNAOIOYWROR-UTLUCORTSA-N 0 3 255.318 -1.354 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001047483886 782481181 /nfs/dbraw/zinc/48/11/81/782481181.db2.gz LFQGMRPIYUYPDD-RYUDHWBXSA-N 0 3 298.387 -1.670 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001047483198 782481490 /nfs/dbraw/zinc/48/14/90/782481490.db2.gz AUWBHFNSBCJJOP-VWYCJHECSA-N 0 3 284.360 -1.077 20 0 CAADHN Cc1nn[nH]c1C(=O)N(C)[C@H]1CN(CCO)C[C@@H]1O ZINC001047482084 782479489 /nfs/dbraw/zinc/47/94/89/782479489.db2.gz NVMKEORLNDHAJR-IUCAKERBSA-N 0 3 269.305 -1.777 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001047487253 782483563 /nfs/dbraw/zinc/48/35/63/782483563.db2.gz XWDHFDOJNGRJHC-DCAQKATOSA-N 0 3 284.360 -1.078 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001047508256 782487044 /nfs/dbraw/zinc/48/70/44/782487044.db2.gz XGYCZKGHJXWELS-UTLUCORTSA-N 0 3 270.333 -1.420 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(CC[C@H]2CCCCO2)C[C@@H]1O ZINC001047510357 782487056 /nfs/dbraw/zinc/48/70/56/782487056.db2.gz MNAHMNOSRXFQDY-WOPDTQHZSA-N 0 3 299.371 -1.066 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001047507211 782484756 /nfs/dbraw/zinc/48/47/56/782484756.db2.gz LVJYBPCRCKXZOH-UTLUCORTSA-N 0 3 270.333 -1.419 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001047510565 782486914 /nfs/dbraw/zinc/48/69/14/782486914.db2.gz VCASULKHAYUQON-DCAQKATOSA-N 0 3 285.344 -1.456 20 0 CAADHN CCCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CNC(=O)N2)C1 ZINC001047508273 782486978 /nfs/dbraw/zinc/48/69/78/782486978.db2.gz XULFRLRDKUDROT-VWYCJHECSA-N 0 3 284.360 -1.029 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(CC2CCOCC2)C[C@@H]1O ZINC001047511090 782489438 /nfs/dbraw/zinc/48/94/38/782489438.db2.gz NOLRORNEVWGGCU-QWRGUYRKSA-N 0 3 285.344 -1.598 20 0 CAADHN C[C@H]1CCCN1CC(=O)N(C)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047527616 782488494 /nfs/dbraw/zinc/48/84/94/782488494.db2.gz IQGFMROUPYBHSV-SRVKXCTJSA-N 0 3 298.387 -1.541 20 0 CAADHN CNC(=O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001047543863 782492163 /nfs/dbraw/zinc/49/21/63/782492163.db2.gz GLPNBVHDROSNBE-QWRGUYRKSA-N 0 3 295.343 -1.798 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001047563075 782492215 /nfs/dbraw/zinc/49/22/15/782492215.db2.gz CSLOVVHMCCSYHN-QWRGUYRKSA-N 0 3 297.355 -1.049 20 0 CAADHN C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545341 782492272 /nfs/dbraw/zinc/49/22/72/782492272.db2.gz QZLRJKBYLTXWNI-USWWRNFRSA-N 0 3 282.344 -1.164 20 0 CAADHN C[C@@H]1CCN(CC(=O)N(C)[C@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001047528370 782489673 /nfs/dbraw/zinc/48/96/73/782489673.db2.gz PJDZARJGPODEMC-WOPDTQHZSA-N 0 3 298.387 -1.683 20 0 CAADHN C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001047578770 782495163 /nfs/dbraw/zinc/49/51/63/782495163.db2.gz IQUYUHVGOGDZRU-VWYCJHECSA-N 0 3 282.344 -1.164 20 0 CAADHN C[C@H](C(N)=O)N1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001047545880 782492922 /nfs/dbraw/zinc/49/29/22/782492922.db2.gz ZOAQPLQBTVLHMI-MIMYLULJSA-N 0 3 295.343 -1.671 20 0 CAADHN C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCC2)C1 ZINC001047627358 782501315 /nfs/dbraw/zinc/50/13/15/782501315.db2.gz POFCGVHRGUCAJM-AVGNSLFASA-N 0 3 285.388 -1.034 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001047619398 782501339 /nfs/dbraw/zinc/50/13/39/782501339.db2.gz LEZXECJRNBMPIG-UWVGGRQHSA-N 0 3 298.343 -1.596 20 0 CAADHN Cc1nccn1CC(=O)N(C)[C@H]1CN(CCO)C[C@@H]1O ZINC001047624394 782501403 /nfs/dbraw/zinc/50/14/03/782501403.db2.gz IRDMGSXTKUFBIU-RYUDHWBXSA-N 0 3 282.344 -1.313 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001047619660 782501445 /nfs/dbraw/zinc/50/14/45/782501445.db2.gz VBBTUAUCCDWIEF-UWVGGRQHSA-N 0 3 298.343 -1.550 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001047624167 782499199 /nfs/dbraw/zinc/49/91/99/782499199.db2.gz CCFJDHRBMXEIAK-UWVGGRQHSA-N 0 3 296.327 -1.377 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001047650125 782502703 /nfs/dbraw/zinc/50/27/03/782502703.db2.gz RSFRVEQAOZCGMJ-GUBZILKMSA-N 0 3 283.328 -1.437 20 0 CAADHN C[C@@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001047951719 782504274 /nfs/dbraw/zinc/50/42/74/782504274.db2.gz VAOFDORCBCADHX-RKDXNWHRSA-N 0 3 280.332 -1.373 20 0 CAADHN CC(C)(C)[C@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001253748801 782502511 /nfs/dbraw/zinc/50/25/11/782502511.db2.gz OUTNFJQSHUUTGO-MRVPVSSYSA-N 0 3 288.348 -2.299 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cn(C)c(=O)n2C)C1 ZINC001047642687 782502531 /nfs/dbraw/zinc/50/25/31/782502531.db2.gz YGCMTJYYVSJNBX-ONGXEEELSA-N 0 3 282.344 -1.139 20 0 CAADHN Cc1nnc(CNC[C@H]2CN(C(=O)C(N)=O)C[C@H]2C)[nH]1 ZINC001048367527 782509285 /nfs/dbraw/zinc/50/92/85/782509285.db2.gz VYDZNBLYSWWGEL-APPZFPTMSA-N 0 3 280.332 -1.217 20 0 CAADHN Cc1nnc(CNC[C@H]2CN(C(=O)C(N)=O)C[C@@H]2C)[nH]1 ZINC001048367528 782509416 /nfs/dbraw/zinc/50/94/16/782509416.db2.gz VYDZNBLYSWWGEL-CBAPKCEASA-N 0 3 280.332 -1.217 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1C[C@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001048719927 782514212 /nfs/dbraw/zinc/51/42/12/782514212.db2.gz FOSNTTTVOIIPDX-GRYCIOLGSA-N 0 3 280.372 -1.044 20 0 CAADHN C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001048734856 782514826 /nfs/dbraw/zinc/51/48/26/782514826.db2.gz YLMXHWZEHVNCBC-MXWKQRLJSA-N 0 3 296.371 -1.271 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001048734458 782516975 /nfs/dbraw/zinc/51/69/75/782516975.db2.gz RBFXMRQPYUVVLI-AEJSXWLSSA-N 0 3 282.344 -1.484 20 0 CAADHN Cc1nn[nH]c1C(=O)N1C[C@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001048975317 782522570 /nfs/dbraw/zinc/52/25/70/782522570.db2.gz LXHWECUJLOYBHR-DTORHVGOSA-N 0 3 278.316 -1.398 20 0 CAADHN C[C@H](CS(C)(=O)=O)NC[C@@]1(CO)COCCN1C ZINC000903279038 782529036 /nfs/dbraw/zinc/52/90/36/782529036.db2.gz ICINJYHOMKFCQX-GHMZBOCLSA-N 0 3 280.390 -1.298 20 0 CAADHN CN1CCOC[C@]1(CO)CN[C@H]1CCCS(=O)(=O)C1 ZINC000903283015 782530096 /nfs/dbraw/zinc/53/00/96/782530096.db2.gz VZBCFCYEWBVCKZ-NWDGAFQWSA-N 0 3 292.401 -1.154 20 0 CAADHN O=C(c1nc[n-]n1)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049122824 782530555 /nfs/dbraw/zinc/53/05/55/782530555.db2.gz KTNJJDKQPMYWAC-AEJSXWLSSA-N 0 3 290.327 -1.303 20 0 CAADHN O=C(c1nc[n-]n1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049122824 782530560 /nfs/dbraw/zinc/53/05/60/782530560.db2.gz KTNJJDKQPMYWAC-AEJSXWLSSA-N 0 3 290.327 -1.303 20 0 CAADHN NC(=O)CN1C[C@@H]2CN(C(=O)CN3CCCC3)C[C@@H]2C1 ZINC001049217134 782530895 /nfs/dbraw/zinc/53/08/95/782530895.db2.gz MJBUNNQRTBTCON-TXEJJXNPSA-N 0 3 280.372 -1.042 20 0 CAADHN CNS(=O)(=O)N1CCCNC[C@@H]1C(=O)OC ZINC000903500464 782534917 /nfs/dbraw/zinc/53/49/17/782534917.db2.gz UBZANYHEVANLPH-SSDOTTSWSA-N 0 3 251.308 -1.713 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@H]3[C@H]2CCN3CCO)n1 ZINC001049651741 782536209 /nfs/dbraw/zinc/53/62/09/782536209.db2.gz MEPUORGIFKMRMD-VHSXEESVSA-N 0 3 280.332 -1.119 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@H]3[C@@H]2CCN3CCO)n1 ZINC001049651740 782537536 /nfs/dbraw/zinc/53/75/36/782537536.db2.gz MEPUORGIFKMRMD-UWVGGRQHSA-N 0 3 280.332 -1.119 20 0 CAADHN C[C@H](O)CN1CC[C@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049684648 782539292 /nfs/dbraw/zinc/53/92/92/782539292.db2.gz VEJCBYBWCSEUCE-GUBZILKMSA-N 0 3 255.318 -1.082 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CCN2CCCO ZINC001049683060 782539435 /nfs/dbraw/zinc/53/94/35/782539435.db2.gz LDMCHFWJKJBFRL-NXEZZACHSA-N 0 3 255.318 -1.081 20 0 CAADHN C[C@H](O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001049684650 782539645 /nfs/dbraw/zinc/53/96/45/782539645.db2.gz VEJCBYBWCSEUCE-IVZWLZJFSA-N 0 3 255.318 -1.082 20 0 CAADHN C[C@H](O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001049684651 782539623 /nfs/dbraw/zinc/53/96/23/782539623.db2.gz VEJCBYBWCSEUCE-LPEHRKFASA-N 0 3 255.318 -1.082 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001096679625 782541503 /nfs/dbraw/zinc/54/15/03/782541503.db2.gz AHFTWHWJSHYWBF-VLEAKVRGSA-N 0 3 295.339 -1.247 20 0 CAADHN C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnnn1)C2 ZINC001096779997 782542832 /nfs/dbraw/zinc/54/28/32/782542832.db2.gz GTRQZRWVODZDBS-DBIOUOCHSA-N 0 3 280.332 -1.225 20 0 CAADHN O=C1CCC(=O)N1Cc1cn(C[C@H]2CNCCO2)nn1 ZINC001254059100 782543740 /nfs/dbraw/zinc/54/37/40/782543740.db2.gz IVRSXSHOBNTKTA-SNVBAGLBSA-N 0 3 279.300 -1.085 20 0 CAADHN C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081677 782544104 /nfs/dbraw/zinc/54/41/04/782544104.db2.gz MBAKHFDJNLWMSM-DBIOUOCHSA-N 0 3 280.332 -1.225 20 0 CAADHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2CCO)[C@@H]1CCNC1=O ZINC001097645332 782547827 /nfs/dbraw/zinc/54/78/27/782547827.db2.gz BZFJSUNUZRNGFD-DBIOUOCHSA-N 0 3 267.329 -1.164 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001097234230 782548415 /nfs/dbraw/zinc/54/84/15/782548415.db2.gz GJHMYRDBGOHIRQ-UTUOFQBUSA-N 0 3 297.355 -1.441 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC001052672066 782551713 /nfs/dbraw/zinc/55/17/13/782551713.db2.gz LDYLIBNUFIHWMA-RKDXNWHRSA-N 0 3 296.327 -1.752 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCCN([C@H]2CCCNC2=O)CC1 ZINC001052673093 782554766 /nfs/dbraw/zinc/55/47/66/782554766.db2.gz XKWJERASHGEWMV-UWVGGRQHSA-N 0 3 282.344 -1.279 20 0 CAADHN CC[C@@H](C(N)=O)N1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052678796 782554701 /nfs/dbraw/zinc/55/47/01/782554701.db2.gz BBRKZWCUORYMFG-IUCAKERBSA-N 0 3 270.333 -1.294 20 0 CAADHN CC[C@@H](C(N)=O)N1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052678794 782554741 /nfs/dbraw/zinc/55/47/41/782554741.db2.gz BBRKZWCUORYMFG-BDAKNGLRSA-N 0 3 270.333 -1.294 20 0 CAADHN NC(=O)CN1CCC[C@H](NC(=O)c2nnc[nH]2)CC1 ZINC001052801395 782555024 /nfs/dbraw/zinc/55/50/24/782555024.db2.gz STRIXZOYAUNBLP-QMMMGPOBSA-N 0 3 266.305 -1.126 20 0 CAADHN NC(=O)CN1CCC[C@H](NC(=O)c2ncn[nH]2)CC1 ZINC001052801395 782555036 /nfs/dbraw/zinc/55/50/36/782555036.db2.gz STRIXZOYAUNBLP-QMMMGPOBSA-N 0 3 266.305 -1.126 20 0 CAADHN NC(=O)CN1CCC[C@H](NC(=O)c2nc[nH]n2)CC1 ZINC001052801395 782555041 /nfs/dbraw/zinc/55/50/41/782555041.db2.gz STRIXZOYAUNBLP-QMMMGPOBSA-N 0 3 266.305 -1.126 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)CCNCC(=O)N(C)C ZINC001267412924 775240319 /nfs/dbraw/zinc/24/03/19/775240319.db2.gz UKJCBJCNOFEFSA-VIFPVBQESA-N 0 3 272.349 -1.366 20 0 CAADHN CO[C@@H](C)C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001272124803 775675680 /nfs/dbraw/zinc/67/56/80/775675680.db2.gz OBGNFDAFOGTPRR-IUCAKERBSA-N 0 3 261.322 -1.694 20 0 CAADHN COCCNCC(=O)NCCCS(C)(=O)=O ZINC000086158067 775133468 /nfs/dbraw/zinc/13/34/68/775133468.db2.gz HQIJOZWOSZZMAP-UHFFFAOYSA-N 0 3 252.336 -1.227 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@@H]1CCNC1=O ZINC001124872758 776015147 /nfs/dbraw/zinc/01/51/47/776015147.db2.gz MLWAZGVVRXVOMJ-MRVPVSSYSA-N 0 3 256.306 -1.893 20 0 CAADHN CN(CCO)CCN(C)C(=O)CN1CCCC1=O ZINC000691356098 776144456 /nfs/dbraw/zinc/14/44/56/776144456.db2.gz OXXPZIHDCORYJO-UHFFFAOYSA-N 0 3 257.334 -1.009 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H]1CCNC1=O ZINC001129291302 776269908 /nfs/dbraw/zinc/26/99/08/776269908.db2.gz SXIUATXXEONIGX-MRVPVSSYSA-N 0 3 256.306 -2.036 20 0 CAADHN CCN1CC[C@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099707551 776318186 /nfs/dbraw/zinc/31/81/86/776318186.db2.gz UXECJJIONLVABE-IUCAKERBSA-N 0 3 259.306 -1.086 20 0 CAADHN COC[C@@H](OC)C(=O)NCCNCC(=O)N(C)C ZINC001133516938 776780587 /nfs/dbraw/zinc/78/05/87/776780587.db2.gz ICRBSAWNVMGUSQ-SECBINFHSA-N 0 3 261.322 -1.558 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@@H]1CCNC1=O ZINC001133516672 776780681 /nfs/dbraw/zinc/78/06/81/776780681.db2.gz CMJSBAMPMDUZPN-BDAKNGLRSA-N 0 3 259.306 -1.758 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@@H]1CCNC1=O ZINC001133516675 776780741 /nfs/dbraw/zinc/78/07/41/776780741.db2.gz CMJSBAMPMDUZPN-RKDXNWHRSA-N 0 3 259.306 -1.758 20 0 CAADHN COC[C@H](OC)C(=O)NCCNCC(=O)N1CCC1 ZINC001133513860 776780844 /nfs/dbraw/zinc/78/08/44/776780844.db2.gz ZQCHXOAFWJKIHV-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN C[C@]1(C(=O)NCCNCC(N)=O)CCC(=O)NC1 ZINC001132715730 776749014 /nfs/dbraw/zinc/74/90/14/776749014.db2.gz XRJSTHLWLUGEIP-NSHDSACASA-N 0 3 256.306 -1.906 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1C ZINC001132761751 776749029 /nfs/dbraw/zinc/74/90/29/776749029.db2.gz AKMBUTINADLZKL-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@]1(C(=O)NCCN[C@H]2CCNC2=O)CCC(=O)NC1 ZINC001132715442 776749062 /nfs/dbraw/zinc/74/90/62/776749062.db2.gz PPQMSKPONHZMKU-ZANVPECISA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NC2CC2)CCC(=O)NC1 ZINC001132715023 776749674 /nfs/dbraw/zinc/74/96/74/776749674.db2.gz DQHAAYZHNWNBJG-CQSZACIVSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CCC(=O)NC1)C(N)=O ZINC001132719713 776749692 /nfs/dbraw/zinc/74/96/92/776749692.db2.gz XILIHCNLJHTBQA-QPUJVOFHSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CCC(=O)NC1)C(N)=O ZINC001132719712 776749709 /nfs/dbraw/zinc/74/97/09/776749709.db2.gz XILIHCNLJHTBQA-PRHODGIISA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001132717829 776749724 /nfs/dbraw/zinc/74/97/24/776749724.db2.gz GDLKRIDMBGGQOL-RNCFNFMXSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@H](NCCNC(=O)[C@]1(C)CCC(=O)NC1)C(N)=O ZINC001132719695 776749779 /nfs/dbraw/zinc/74/97/79/776749779.db2.gz XFIWQMZTINCHCJ-TVQRCGJNSA-N 0 3 284.360 -1.128 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@]2(C)CCC(=O)NC2)C1=O ZINC001132719020 776749821 /nfs/dbraw/zinc/74/98/21/776749821.db2.gz PSHNKEHVRKMYCH-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@]1(C)CCC(=O)NC1)C(N)=O ZINC001132719694 776750005 /nfs/dbraw/zinc/75/00/05/776750005.db2.gz XFIWQMZTINCHCJ-RNCFNFMXSA-N 0 3 284.360 -1.128 20 0 CAADHN O=C(Cc1cnoc1)NCCN[C@@H]1CCNC1=O ZINC001132742841 776750039 /nfs/dbraw/zinc/75/00/39/776750039.db2.gz KFSAIAJIGOTNQD-SECBINFHSA-N 0 3 252.274 -1.189 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@]2(C)CCC(=O)NC2)C1=O ZINC001132719022 776750055 /nfs/dbraw/zinc/75/00/55/776750055.db2.gz PSHNKEHVRKMYCH-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)NC(N)=O)CCC(=O)NC1 ZINC001132715714 776750145 /nfs/dbraw/zinc/75/01/45/776750145.db2.gz XLHVGTVPQLTYTM-LBPRGKRZSA-N 0 3 299.331 -2.197 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCCNC2=O)CCC(=O)NC1 ZINC001132715661 776750216 /nfs/dbraw/zinc/75/02/16/776750216.db2.gz WEDROBOVXNBWPR-QMTHXVAHSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NC(N)=O)CCC(=O)NC1 ZINC001132715713 776750248 /nfs/dbraw/zinc/75/02/48/776750248.db2.gz XLHVGTVPQLTYTM-GFCCVEGCSA-N 0 3 299.331 -2.197 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001133121411 776763426 /nfs/dbraw/zinc/76/34/26/776763426.db2.gz IIOQCFBEMFXCHX-PSASIEDQSA-N 0 3 297.359 -1.712 20 0 CAADHN NC(=O)C(=O)NCCNC[C@@H](O)c1ccccc1 ZINC001133196451 776769821 /nfs/dbraw/zinc/76/98/21/776769821.db2.gz OVSIOYXHHUFERT-SNVBAGLBSA-N 0 3 251.286 -1.089 20 0 CAADHN Cn1c2cc(CNCCNC(=O)C(N)=O)ccc2oc1=O ZINC001133196455 776770037 /nfs/dbraw/zinc/77/00/37/776770037.db2.gz PAQHFXRVZGJUAL-UHFFFAOYSA-N 0 3 292.295 -1.177 20 0 CAADHN CN(C)c1cc(CNCCNC(=O)C(N)=O)ccn1 ZINC001133206562 776773991 /nfs/dbraw/zinc/77/39/91/776773991.db2.gz WIQPGAFEMUYPDY-UHFFFAOYSA-N 0 3 265.317 -1.161 20 0 CAADHN CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCNCC(N)=O ZINC001133254657 776774688 /nfs/dbraw/zinc/77/46/88/776774688.db2.gz DXOGIRYFEFUUFH-JTQLQIEISA-N 0 3 296.331 -2.352 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@H]1CCCNC1=O ZINC001133516400 776781001 /nfs/dbraw/zinc/78/10/01/776781001.db2.gz ADOWWBAWPFXSKK-VHSXEESVSA-N 0 3 273.333 -1.368 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001283804142 777919105 /nfs/dbraw/zinc/91/91/05/777919105.db2.gz KAGVOMTXXKJXIO-OUAUKWLOSA-N 0 3 287.360 -1.399 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1n[nH]cc1F ZINC001283803417 777919464 /nfs/dbraw/zinc/91/94/64/777919464.db2.gz JLTASOIWZUYNMY-ZETCQYMHSA-N 0 3 260.269 -1.125 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001283805141 777919669 /nfs/dbraw/zinc/91/96/69/777919669.db2.gz WMXVYSYUZBKMRO-MRVPVSSYSA-N 0 3 272.305 -1.548 20 0 CAADHN CC[C@H](C(=O)N[C@H](C)CCNC(=O)C(N)=O)N(C)C ZINC001284451087 777943688 /nfs/dbraw/zinc/94/36/88/777943688.db2.gz ATSQVQJIIDOTFW-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN Cn1nnc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 ZINC001119252645 779610003 /nfs/dbraw/zinc/61/00/03/779610003.db2.gz KSOLTYJBXWULAZ-IUCAKERBSA-N 0 3 266.305 -1.197 20 0 CAADHN COC[C@@H](C)OC[C@H](O)CN1CC[C@@H](O)[C@@H](O)C1 ZINC001119261776 779610129 /nfs/dbraw/zinc/61/01/29/779610129.db2.gz UVPMGKNWXIGCNQ-KKOKHZNYSA-N 0 3 263.334 -1.174 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@@H](C)N)CCN1C(C)=O ZINC001161295510 780006604 /nfs/dbraw/zinc/00/66/04/780006604.db2.gz KRAHMFXAUURMNQ-VXNVDRBHSA-N 0 3 257.290 -1.434 20 0 CAADHN COC[C@H](C)OC[C@@H](O)CN1CC[C@@H](O)[C@@H](O)C1 ZINC001119261779 779610256 /nfs/dbraw/zinc/61/02/56/779610256.db2.gz UVPMGKNWXIGCNQ-YFKTTZPYSA-N 0 3 263.334 -1.174 20 0 CAADHN CCCC[C@H](NC(N)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001153330731 779837553 /nfs/dbraw/zinc/83/75/53/779837553.db2.gz FNCNJBIUDISRRJ-UWVGGRQHSA-N 0 3 299.375 -1.192 20 0 CAADHN CCCC[C@@H](NC(N)=O)C(=O)NCCN[C@@H](C)C(N)=O ZINC001153330863 779837608 /nfs/dbraw/zinc/83/76/08/779837608.db2.gz IRVKFQDCSCJCRB-DTWKUNHWSA-N 0 3 287.364 -1.207 20 0 CAADHN CCCC[C@@H](NC(N)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001153330732 779837727 /nfs/dbraw/zinc/83/77/27/779837727.db2.gz FNCNJBIUDISRRJ-VHSXEESVSA-N 0 3 299.375 -1.192 20 0 CAADHN COCCO[C@H]1C[C@@H](CO)CN(C[C@H](O)CO)C1 ZINC001119772653 779625650 /nfs/dbraw/zinc/62/56/50/779625650.db2.gz FVHPJBVIPWYCNI-WOPDTQHZSA-N 0 3 263.334 -1.315 20 0 CAADHN COCCO[C@@H]1C[C@H](CO)CN(C[C@H](O)CO)C1 ZINC001119772651 779626312 /nfs/dbraw/zinc/62/63/12/779626312.db2.gz FVHPJBVIPWYCNI-SDDRHHMPSA-N 0 3 263.334 -1.315 20 0 CAADHN C[C@@H]1OC(=O)N[C@@H]1C(=O)NCCN(C)CCOCCO ZINC001153233669 779837887 /nfs/dbraw/zinc/83/78/87/779837887.db2.gz SAYVLRFGUDSPLC-UWVGGRQHSA-N 0 3 289.332 -1.460 20 0 CAADHN Cc1ocnc1CNC(=O)C(=O)N1CCNCCNCC1 ZINC001120420241 779635735 /nfs/dbraw/zinc/63/57/35/779635735.db2.gz HOEAFLIJFWTTEL-UHFFFAOYSA-N 0 3 295.343 -1.379 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CC=C[C@H]3CO)C[C@@H]21 ZINC001120388300 779635808 /nfs/dbraw/zinc/63/58/08/779635808.db2.gz KXRFLGUPXXUKPC-WOPDTQHZSA-N 0 3 279.340 -1.092 20 0 CAADHN C[C@H](NC(=O)C(=O)N1CCNCCNCC1)[C@@H]1CCOC1 ZINC001120418656 779635827 /nfs/dbraw/zinc/63/58/27/779635827.db2.gz LHCAMFPFXFWVFY-NWDGAFQWSA-N 0 3 298.387 -1.451 20 0 CAADHN CC1(CNC(=O)C(=O)N2CCNCCNCC2)CC1 ZINC001120520540 779639576 /nfs/dbraw/zinc/63/95/76/779639576.db2.gz PFBSJWNUPADOSG-UHFFFAOYSA-N 0 3 268.361 -1.076 20 0 CAADHN CCON(C)C(=O)CNC[C@H](O)C[C@@]1(O)CCOC1 ZINC001120519403 779639932 /nfs/dbraw/zinc/63/99/32/779639932.db2.gz JROOKPHULYSORM-PWSUYJOCSA-N 0 3 276.333 -1.112 20 0 CAADHN C[C@H]1COCC[C@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC001120523687 779639965 /nfs/dbraw/zinc/63/99/65/779639965.db2.gz MAXIECRUZALYNP-NWDGAFQWSA-N 0 3 298.387 -1.451 20 0 CAADHN NC(=O)CCCC(=O)NCCNCC(=O)NC(N)=O ZINC001153456415 779838459 /nfs/dbraw/zinc/83/84/59/779838459.db2.gz ZNLMQAYKNHTPID-UHFFFAOYSA-N 0 3 273.293 -2.457 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153387329 779838475 /nfs/dbraw/zinc/83/84/75/779838475.db2.gz PNHWZFJONYGJPB-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN CN(C(=O)Cn1nnc(N)n1)[C@H]1CCCN(C)C1 ZINC001120612349 779642892 /nfs/dbraw/zinc/64/28/92/779642892.db2.gz QARNUFVVOZNPKY-QMMMGPOBSA-N 0 3 253.310 -1.192 20 0 CAADHN CN(C(=O)Cn1nnc(N)n1)[C@@H]1CCCN(C)C1 ZINC001120612348 779643071 /nfs/dbraw/zinc/64/30/71/779643071.db2.gz QARNUFVVOZNPKY-MRVPVSSYSA-N 0 3 253.310 -1.192 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)Cn3nnc(N)n3)[C@@H]2C1 ZINC001120739488 779644380 /nfs/dbraw/zinc/64/43/80/779644380.db2.gz KYKADFSMASNRRY-JGVFFNPUSA-N 0 3 251.294 -1.582 20 0 CAADHN CN1C[C@H]2CCN(C(=O)Cn3nnc(N)n3)[C@@H]2C1 ZINC001120739486 779644780 /nfs/dbraw/zinc/64/47/80/779644780.db2.gz KYKADFSMASNRRY-HTQZYQBOSA-N 0 3 251.294 -1.582 20 0 CAADHN CN(C)c1ccnc(C(=O)NCCNCC(N)=O)c1 ZINC001153339779 779838687 /nfs/dbraw/zinc/83/86/87/779838687.db2.gz ZLYKBKFDRBGLNI-UHFFFAOYSA-N 0 3 265.317 -1.048 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccc(C(N)=O)cn1)C(N)=O ZINC001153386354 779838703 /nfs/dbraw/zinc/83/87/03/779838703.db2.gz MEYRWBVVZPJGSH-SECBINFHSA-N 0 3 293.327 -1.236 20 0 CAADHN CCCC[C@@H](NC(N)=O)C(=O)NCCNCC(N)=O ZINC001153331006 779838737 /nfs/dbraw/zinc/83/87/37/779838737.db2.gz MXQMLYWQXLUXME-MRVPVSSYSA-N 0 3 273.337 -1.595 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC001122222096 779661861 /nfs/dbraw/zinc/66/18/61/779661861.db2.gz NKEADHXPJNNMGM-GWCFXTLKSA-N 0 3 266.345 -1.371 20 0 CAADHN CC[C@H](NCCNC(=O)CCCC(N)=O)C(N)=O ZINC001153462061 779838821 /nfs/dbraw/zinc/83/88/21/779838821.db2.gz QUNUZNNYCKRNBD-QMMMGPOBSA-N 0 3 258.322 -1.388 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCNCC(=O)NC ZINC001149095176 779661994 /nfs/dbraw/zinc/66/19/94/779661994.db2.gz UIJZAYWRNOOFCO-MRVPVSSYSA-N 0 3 273.337 -1.725 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCN[C@H]1CCCNC1=O ZINC001149095004 779662021 /nfs/dbraw/zinc/66/20/21/779662021.db2.gz UIEVFGYCCKGJIH-VHSXEESVSA-N 0 3 299.375 -1.192 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCCO[C@@H]1CCOC1 ZINC001122235957 779662069 /nfs/dbraw/zinc/66/20/69/779662069.db2.gz OCLAAEHZTHJTJB-GHMZBOCLSA-N 0 3 257.334 -1.188 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC001122222097 779662572 /nfs/dbraw/zinc/66/25/72/779662572.db2.gz NKEADHXPJNNMGM-GXFFZTMASA-N 0 3 266.345 -1.371 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCCC(N)=O ZINC001153461219 779838896 /nfs/dbraw/zinc/83/88/96/779838896.db2.gz IZYJMSCDKJXOOE-MRVPVSSYSA-N 0 3 258.322 -1.518 20 0 CAADHN CC(=O)NCCNCC(=O)NCCCN1CCCC1=O ZINC001122367508 779666445 /nfs/dbraw/zinc/66/64/45/779666445.db2.gz YDIFBGUPNKXUOY-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN COC[C@H](C)NC(=O)NC(=O)CNCCNC(C)=O ZINC001122372876 779666562 /nfs/dbraw/zinc/66/65/62/779666562.db2.gz SXWVBLYSULGGPJ-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN CC(=O)NCCNCCNS(=O)(=O)c1cnn(C)c1 ZINC001122359478 779666812 /nfs/dbraw/zinc/66/68/12/779666812.db2.gz IZZWGGWHZJYXME-UHFFFAOYSA-N 0 3 289.361 -1.576 20 0 CAADHN C[C@H](NCCNC(=O)c1ccncc1)C(=O)NC(N)=O ZINC001122604696 779672373 /nfs/dbraw/zinc/67/23/73/779672373.db2.gz JMZFVWFQUSXXJW-QMMMGPOBSA-N 0 3 279.300 -1.016 20 0 CAADHN CC(F)(F)C(=O)NCCNCC(=O)NC(N)=O ZINC001122532079 779672419 /nfs/dbraw/zinc/67/24/19/779672419.db2.gz KVBHTKSHKKTCPX-UHFFFAOYSA-N 0 3 252.221 -1.458 20 0 CAADHN C[C@H](NCCNC(=O)C(C)(F)F)C(=O)NC(N)=O ZINC001122574385 779672687 /nfs/dbraw/zinc/67/26/87/779672687.db2.gz OHZOHOAXTIFPSI-YFKPBYRVSA-N 0 3 266.248 -1.069 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cc[n+]([O-])cc1 ZINC001123039755 779678150 /nfs/dbraw/zinc/67/81/50/779678150.db2.gz INLHUUFUHLPPSA-SNVBAGLBSA-N 0 3 292.295 -1.555 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cc[n+]([O-])cc1)C(N)=O ZINC001123046216 779678166 /nfs/dbraw/zinc/67/81/66/779678166.db2.gz AFTUKXQDCXXXFV-SNVBAGLBSA-N 0 3 266.301 -1.097 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCNCC(=O)NCC1CC1 ZINC001123070972 779678275 /nfs/dbraw/zinc/67/82/75/779678275.db2.gz AOXPMGZTKQAVIL-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc[n+]([O-])cc1)C(=O)NC(N)=O ZINC001123048248 779678325 /nfs/dbraw/zinc/67/83/25/779678325.db2.gz ZPEKNPIOCSHZBG-MRVPVSSYSA-N 0 3 295.299 -1.777 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cc[n+]([O-])cc1 ZINC001123047867 779678407 /nfs/dbraw/zinc/67/84/07/779678407.db2.gz SVNYVRDLTMODQQ-SECBINFHSA-N 0 3 266.301 -1.226 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCNCC(=O)N1CCCC1 ZINC001123071332 779678505 /nfs/dbraw/zinc/67/85/05/779678505.db2.gz CLBLIOLDVSQGHL-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001123072294 779678618 /nfs/dbraw/zinc/67/86/18/779678618.db2.gz MKCWDNARWLNURP-SECBINFHSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001123071316 779678669 /nfs/dbraw/zinc/67/86/69/779678669.db2.gz BYPZVXIYUCPJIF-LURJTMIESA-N 0 3 273.293 -2.588 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cc[n+]([O-])cc1 ZINC001123039748 779678712 /nfs/dbraw/zinc/67/87/12/779678712.db2.gz INLHUUFUHLPPSA-JTQLQIEISA-N 0 3 292.295 -1.555 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc[n+]([O-])cc1 ZINC001123039454 779678747 /nfs/dbraw/zinc/67/87/47/779678747.db2.gz FKPFULJLWFBVDW-UHFFFAOYSA-N 0 3 252.274 -1.615 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001123083064 779679212 /nfs/dbraw/zinc/67/92/12/779679212.db2.gz OMNDBUQBPAOKJT-PSASIEDQSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001123091533 779679272 /nfs/dbraw/zinc/67/92/72/779679272.db2.gz RKDAMILMYQZNSJ-BQBZGAKWSA-N 0 3 287.320 -2.200 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H](C)NC(C)=O)C1=O ZINC001123083004 779679408 /nfs/dbraw/zinc/67/94/08/779679408.db2.gz NPWXGYJSJLHYPO-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001123083069 779679428 /nfs/dbraw/zinc/67/94/28/779679428.db2.gz OMNDBUQBPAOKJT-WPRPVWTQSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001123072592 779679441 /nfs/dbraw/zinc/67/94/41/779679441.db2.gz TWJYGWRSMZUALW-PSASIEDQSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)NC(C)=O ZINC001123083779 779679507 /nfs/dbraw/zinc/67/95/07/779679507.db2.gz UEBXPJZHIHJXCK-HTQZYQBOSA-N 0 3 258.322 -1.649 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccc(=O)[nH]n1 ZINC001123089212 779679581 /nfs/dbraw/zinc/67/95/81/779679581.db2.gz CAPINBYHRQAMEE-UHFFFAOYSA-N 0 3 267.289 -1.410 20 0 CAADHN O=C(CNCCNC(=O)c1ccc(=O)[nH]n1)NC1CC1 ZINC001123089082 779679730 /nfs/dbraw/zinc/67/97/30/779679730.db2.gz AUAWNAWJCVSVNQ-UHFFFAOYSA-N 0 3 279.300 -1.220 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCNCC(=O)NCC(C)C ZINC001123084221 779679917 /nfs/dbraw/zinc/67/99/17/779679917.db2.gz YHCUOWWKIWAJBB-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001123082406 779680000 /nfs/dbraw/zinc/68/00/00/779680000.db2.gz JTDLNKHUJGJDQR-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H](C)NC(C)=O)C(N)=O ZINC001123083727 779680093 /nfs/dbraw/zinc/68/00/93/779680093.db2.gz SNEBSIZIZZGKHI-IONNQARKSA-N 0 3 258.322 -1.519 20 0 CAADHN CCCC[C@@H](NC(N)=O)C(=O)NCCN[C@H](C)C(N)=O ZINC001153330865 779839169 /nfs/dbraw/zinc/83/91/69/779839169.db2.gz IRVKFQDCSCJCRB-RKDXNWHRSA-N 0 3 287.364 -1.207 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@H]2CCNC2=O)nc1 ZINC001153373318 779839233 /nfs/dbraw/zinc/83/92/33/779839233.db2.gz VPJUWVDHSFGPSE-JTQLQIEISA-N 0 3 291.311 -1.612 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccc(C(N)=O)cn1)C(N)=O ZINC001153386355 779839247 /nfs/dbraw/zinc/83/92/47/779839247.db2.gz MEYRWBVVZPJGSH-VIFPVBQESA-N 0 3 293.327 -1.236 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001123819859 779693905 /nfs/dbraw/zinc/69/39/05/779693905.db2.gz FUUGQNOYZVOZFS-SSDOTTSWSA-N 0 3 287.320 -2.246 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CN(C)C(C)=O)C1=O ZINC001123815514 779693994 /nfs/dbraw/zinc/69/39/94/779693994.db2.gz XFNSAVZJTYWICU-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@H]1CCNC1=O ZINC001123810348 779694009 /nfs/dbraw/zinc/69/40/09/779694009.db2.gz MMCDQPNDHAQINU-VIFPVBQESA-N 0 3 256.306 -1.941 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123814566 779694156 /nfs/dbraw/zinc/69/41/56/779694156.db2.gz BZJAVXUOEXTXLF-SECBINFHSA-N 0 3 284.316 -2.024 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001123814600 779694198 /nfs/dbraw/zinc/69/41/98/779694198.db2.gz DJALHACDTNVXHC-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001123819946 779694356 /nfs/dbraw/zinc/69/43/56/779694356.db2.gz HZPVSGYWKLCEOA-SNVBAGLBSA-N 0 3 270.333 -1.599 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001123819945 779694367 /nfs/dbraw/zinc/69/43/67/779694367.db2.gz HZPVSGYWKLCEOA-JTQLQIEISA-N 0 3 270.333 -1.599 20 0 CAADHN CC(=O)N(C)CC(=O)NCCNCC(=O)N1CCCC1 ZINC001123809892 779694462 /nfs/dbraw/zinc/69/44/62/779694462.db2.gz JIDZTFCCLQOAJH-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN CC(=O)N(C)CC(=O)NCCNCCNS(C)(=O)=O ZINC001123814605 779694493 /nfs/dbraw/zinc/69/44/93/779694493.db2.gz DNKNBPAUSXQBAT-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN(C)C(C)=O ZINC001123814544 779694529 /nfs/dbraw/zinc/69/45/29/779694529.db2.gz BDKJNHLWSFSLOA-MRVPVSSYSA-N 0 3 258.322 -1.695 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001123820965 779694539 /nfs/dbraw/zinc/69/45/39/779694539.db2.gz QSRLUAMUPZBITK-VIFPVBQESA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001123820964 779694543 /nfs/dbraw/zinc/69/45/43/779694543.db2.gz QSRLUAMUPZBITK-SECBINFHSA-N 0 3 284.360 -1.162 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153371849 779839342 /nfs/dbraw/zinc/83/93/42/779839342.db2.gz BGQWFNRTQNJDKX-UHFFFAOYSA-N 0 3 265.273 -2.015 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCCO1 ZINC001124009068 779700715 /nfs/dbraw/zinc/70/07/15/779700715.db2.gz HZQDSCXXMBPLBI-MRVPVSSYSA-N 0 3 272.305 -1.544 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)COCC1CC1 ZINC001124008917 779700783 /nfs/dbraw/zinc/70/07/83/779700783.db2.gz GNWOVDLDDMKWFM-UHFFFAOYSA-N 0 3 286.332 -1.426 20 0 CAADHN CCO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001123975499 779700964 /nfs/dbraw/zinc/70/09/64/779700964.db2.gz YPJSTBQSJSWDQX-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN O=C(COCC1CC1)NCCNCC(=O)N1CCOCC1 ZINC001124009005 779701006 /nfs/dbraw/zinc/70/10/06/779701006.db2.gz HBKWWHSNBHIAFT-UHFFFAOYSA-N 0 3 299.371 -1.022 20 0 CAADHN CCOCCCC(=O)NCCNCC(=O)NC(=O)NC ZINC001123992529 779701044 /nfs/dbraw/zinc/70/10/44/779701044.db2.gz PAKWZCQXGONTPW-UHFFFAOYSA-N 0 3 288.348 -1.036 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153371928 779839375 /nfs/dbraw/zinc/83/93/75/779839375.db2.gz CLQJKMCAGUUDDN-UHFFFAOYSA-N 0 3 293.327 -1.412 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCCC(N)=O ZINC001153455655 779839424 /nfs/dbraw/zinc/83/94/24/779839424.db2.gz NFYTUGLFPWLBGG-UHFFFAOYSA-N 0 3 258.322 -1.516 20 0 CAADHN C[C@H](NCCNC(=O)c1cnns1)C(=O)NC(N)=O ZINC001124182441 779705645 /nfs/dbraw/zinc/70/56/45/779705645.db2.gz XWVSJVXUMIKKLM-YFKPBYRVSA-N 0 3 286.317 -1.559 20 0 CAADHN CN(CCNCCNC(=O)c1ccon1)S(C)(=O)=O ZINC001124200321 779705714 /nfs/dbraw/zinc/70/57/14/779705714.db2.gz HHHFYQSOCQXNIM-UHFFFAOYSA-N 0 3 290.345 -1.115 20 0 CAADHN COC(=O)NCC(=O)NCCNCC(=O)NCC1CC1 ZINC001124181276 779705731 /nfs/dbraw/zinc/70/57/31/779705731.db2.gz DFGZECBJUSMJCA-UHFFFAOYSA-N 0 3 286.332 -1.426 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001124176328 779705803 /nfs/dbraw/zinc/70/58/03/779705803.db2.gz FGAKYWJOFNNHMY-QMMMGPOBSA-N 0 3 272.305 -1.721 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001124176324 779705964 /nfs/dbraw/zinc/70/59/64/779705964.db2.gz FGAKYWJOFNNHMY-MRVPVSSYSA-N 0 3 272.305 -1.721 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001124186883 779706413 /nfs/dbraw/zinc/70/64/13/779706413.db2.gz RZTRIEVAOAXHBG-MRVPVSSYSA-N 0 3 286.332 -1.285 20 0 CAADHN COC(=O)NCC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001124181246 779706485 /nfs/dbraw/zinc/70/64/85/779706485.db2.gz CNIXHDUZSJBYCF-UHFFFAOYSA-N 0 3 286.332 -1.331 20 0 CAADHN COC(=O)NCC(=O)NCCNCc1cncn1C ZINC001124182463 779706553 /nfs/dbraw/zinc/70/65/53/779706553.db2.gz YVVVRUSTUUKKOK-UHFFFAOYSA-N 0 3 269.305 -1.018 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1ccon1 ZINC001124191126 779706655 /nfs/dbraw/zinc/70/66/55/779706655.db2.gz KLBHPJZMUMJRQK-UHFFFAOYSA-N 0 3 283.288 -1.160 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001124176017 779706781 /nfs/dbraw/zinc/70/67/81/779706781.db2.gz APEXHHZOPFXSJW-QMMMGPOBSA-N 0 3 274.321 -1.475 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CNC(=O)OC ZINC001124181120 779706854 /nfs/dbraw/zinc/70/68/54/779706854.db2.gz APZGVDLAKAOKJM-UHFFFAOYSA-N 0 3 274.321 -1.474 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001124186885 779706874 /nfs/dbraw/zinc/70/68/74/779706874.db2.gz RZTRIEVAOAXHBG-QMMMGPOBSA-N 0 3 286.332 -1.285 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cc(C)n[nH]1 ZINC001124247711 779707346 /nfs/dbraw/zinc/70/73/46/779707346.db2.gz UPMWMDHOQWZGKH-MRVPVSSYSA-N 0 3 296.331 -1.118 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)n(C)n1 ZINC001124256882 779707457 /nfs/dbraw/zinc/70/74/57/779707457.db2.gz ITYFSYGBERWCKT-VIFPVBQESA-N 0 3 293.327 -1.147 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H]2CCNC2=O)n(C)n1 ZINC001124256889 779707572 /nfs/dbraw/zinc/70/75/72/779707572.db2.gz IWLFPAQXNZUMBM-VIFPVBQESA-N 0 3 265.317 -1.064 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(C)nn1C ZINC001124256821 779707682 /nfs/dbraw/zinc/70/76/82/779707682.db2.gz GKVCCDYXHHQZER-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H](C)C(N)=O)nn1C ZINC001124265368 779707718 /nfs/dbraw/zinc/70/77/18/779707718.db2.gz OBRLBIHCWVYAFQ-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN CO[C@H](C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124287456 779707736 /nfs/dbraw/zinc/70/77/36/779707736.db2.gz CAGXFYXEZALCNF-SFYZADRCSA-N 0 3 257.290 -1.468 20 0 CAADHN CO[C@@H](C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124287457 779708073 /nfs/dbraw/zinc/70/80/73/779708073.db2.gz CAGXFYXEZALCNF-YUMQZZPRSA-N 0 3 257.290 -1.468 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)[C@H](C)OC ZINC001124272768 779708101 /nfs/dbraw/zinc/70/81/01/779708101.db2.gz HUTIQCNDRPJNNJ-JTQLQIEISA-N 0 3 275.349 -1.120 20 0 CAADHN C[C@@H](NCCNC(=O)CS(=O)(=O)N(C)C)C(N)=O ZINC001149432574 779777260 /nfs/dbraw/zinc/77/72/60/779777260.db2.gz LWTGVDLQWGUCBN-SSDOTTSWSA-N 0 3 280.350 -2.543 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001149455200 779777322 /nfs/dbraw/zinc/77/73/22/779777322.db2.gz HIMQRGBDOMYSFP-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NCCNCCF ZINC001149432586 779777333 /nfs/dbraw/zinc/77/73/33/779777333.db2.gz LYIMDBORSSFBNV-UHFFFAOYSA-N 0 3 255.315 -1.447 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149455187 779777676 /nfs/dbraw/zinc/77/76/76/779777676.db2.gz GYUCBHOJRCOBFT-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCCC(=O)N1C ZINC001149455171 779777718 /nfs/dbraw/zinc/77/77/18/779777718.db2.gz GOSYJSCRUDKPPT-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001149455203 779777757 /nfs/dbraw/zinc/77/77/57/779777757.db2.gz HIMQRGBDOMYSFP-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001149455293 779778026 /nfs/dbraw/zinc/77/80/26/779778026.db2.gz JNTKMSJCPJFKCW-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001149455105 779778064 /nfs/dbraw/zinc/77/80/64/779778064.db2.gz DRELNNCNDRWDPB-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CCN(C(=O)CNCCNC(=O)CCNC(N)=O)C1CC1 ZINC001150432622 779793967 /nfs/dbraw/zinc/79/39/67/779793967.db2.gz XWLBPCTWLZTVFZ-UHFFFAOYSA-N 0 3 299.375 -1.239 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)CCNC(N)=O)C1CC1 ZINC001150432522 779794018 /nfs/dbraw/zinc/79/40/18/779794018.db2.gz UYQWIVWOZZIEDD-SECBINFHSA-N 0 3 299.375 -1.335 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)CCNC(N)=O ZINC001150424644 779794050 /nfs/dbraw/zinc/79/40/50/779794050.db2.gz XMKYVAIYLCUIES-UHFFFAOYSA-N 0 3 287.364 -1.383 20 0 CAADHN C[C@H](NCCNC(=O)CCNC(N)=O)C(=O)N(C)C ZINC001150432587 779794061 /nfs/dbraw/zinc/79/40/61/779794061.db2.gz WKAKVUUPJJHJPM-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)CCNC(N)=O ZINC001150432092 779794126 /nfs/dbraw/zinc/79/41/26/779794126.db2.gz KXSWTJXXUGLJDJ-UHFFFAOYSA-N 0 3 295.365 -2.700 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)CCNC(N)=O)C1CC1 ZINC001150432523 779794177 /nfs/dbraw/zinc/79/41/77/779794177.db2.gz UYQWIVWOZZIEDD-VIFPVBQESA-N 0 3 299.375 -1.335 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)CCNC(N)=O ZINC001150424696 779794411 /nfs/dbraw/zinc/79/44/11/779794411.db2.gz ZPQBSIQUPLXYRH-UHFFFAOYSA-N 0 3 287.364 -1.381 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CCNC(N)=O)C1=O ZINC001150432651 779794821 /nfs/dbraw/zinc/79/48/21/779794821.db2.gz ZBTFHYSJBLSKDF-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)CCNC(N)=O ZINC001150432504 779795030 /nfs/dbraw/zinc/79/50/30/779795030.db2.gz UIMPDBLJHFHSOH-SECBINFHSA-N 0 3 287.364 -1.335 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc(C(N)=O)cs1 ZINC001152596422 779826862 /nfs/dbraw/zinc/82/68/62/779826862.db2.gz LDAUMUIURHJOJV-UHFFFAOYSA-N 0 3 270.314 -1.348 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001152509410 779827707 /nfs/dbraw/zinc/82/77/07/779827707.db2.gz SBAPKKLOLNKNDM-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)CCC1=O ZINC001152523064 779827719 /nfs/dbraw/zinc/82/77/19/779827719.db2.gz SHWLIUFGUABVKA-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cccc(C(N)=O)n1 ZINC001152848532 779832496 /nfs/dbraw/zinc/83/24/96/779832496.db2.gz KUZDHXFVJZDWKX-UHFFFAOYSA-N 0 3 293.327 -1.364 20 0 CAADHN CC(=O)N[C@@](C)(C(=O)NCCNCC(N)=O)C(C)C ZINC001152892411 779832823 /nfs/dbraw/zinc/83/28/23/779832823.db2.gz BIXVHLDHOZDHNQ-GFCCVEGCSA-N 0 3 272.349 -1.272 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001152809853 779833322 /nfs/dbraw/zinc/83/33/22/779833322.db2.gz TUUQSPZEOQGBEX-GFCCVEGCSA-N 0 3 296.371 -1.065 20 0 CAADHN O=C(CNC(=O)C1CC1)N1CCOC2(CNC2)C1 ZINC001118583146 779577581 /nfs/dbraw/zinc/57/75/81/779577581.db2.gz BNVCWOLYHHCGAI-UHFFFAOYSA-N 0 3 253.302 -1.287 20 0 CAADHN CNC(=O)C1(C(=O)N2CCOC3(CNC3)C2)CC1 ZINC001118576094 779577774 /nfs/dbraw/zinc/57/77/74/779577774.db2.gz FSLDUZXYQNLPLJ-UHFFFAOYSA-N 0 3 253.302 -1.287 20 0 CAADHN O=C([C@@H]1CCNC(=O)C1)N1CCOC2(CNC2)C1 ZINC001118579520 779577787 /nfs/dbraw/zinc/57/77/87/779577787.db2.gz KZQAJEVTBRAZTN-SECBINFHSA-N 0 3 253.302 -1.287 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NOCCN(C)C)C(N)=O ZINC001118769901 779586811 /nfs/dbraw/zinc/58/68/11/779586811.db2.gz FODFSNAMVABPKM-QMMMGPOBSA-N 0 3 260.294 -2.024 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161085090 779993911 /nfs/dbraw/zinc/99/39/11/779993911.db2.gz NAGFFHKSKBQJGX-MXGMZBKISA-N 0 3 260.315 -1.391 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NCCN1CC[C@@H](O)C1 ZINC001118952527 779600414 /nfs/dbraw/zinc/60/04/14/779600414.db2.gz DSJIHGURWFUHRR-VHSXEESVSA-N 0 3 255.318 -1.162 20 0 CAADHN COC(=O)[C@@]1(F)CCN(S(=O)(=O)CCN)C1 ZINC001238933301 780526574 /nfs/dbraw/zinc/52/65/74/780526574.db2.gz JZNKFXLAJXGYIP-MRVPVSSYSA-N 0 3 254.283 -1.138 20 0 CAADHN CCOC(=O)[C@H]1CN(S(=O)(=O)CCN)CCC1=O ZINC001238990288 780526818 /nfs/dbraw/zinc/52/68/18/780526818.db2.gz TVLXQNCFGFLVGA-QMMMGPOBSA-N 0 3 278.330 -1.271 20 0 CAADHN NCCS(=O)(=O)N1CCO[C@]2(CCOC2)C1 ZINC001239014372 780527270 /nfs/dbraw/zinc/52/72/70/780527270.db2.gz BBJQOJBOFAQNMM-SECBINFHSA-N 0 3 250.320 -1.234 20 0 CAADHN CCOC(=O)[C@@H]1CNCCN1S(=O)(=O)CCN ZINC001238987944 780527360 /nfs/dbraw/zinc/52/73/60/780527360.db2.gz ISKMBVACSWIBTJ-QMMMGPOBSA-N 0 3 265.335 -1.888 20 0 CAADHN NCCS(=O)(=O)N1CCC2(C[C@H](O)CO2)CC1 ZINC001239010459 780527549 /nfs/dbraw/zinc/52/75/49/780527549.db2.gz UDEXWWKRORRVNS-VIFPVBQESA-N 0 3 264.347 -1.109 20 0 CAADHN C[C@@]1(CO)CN(S(=O)(=O)CCN)CC[C@H]1O ZINC001238985334 780527583 /nfs/dbraw/zinc/52/75/83/780527583.db2.gz BLLLEJMQXVYNTA-BDAKNGLRSA-N 0 3 252.336 -1.660 20 0 CAADHN C[C@]1(CO)CCN(S(=O)(=O)CCN)C[C@@H]1O ZINC001238987537 780527704 /nfs/dbraw/zinc/52/77/04/780527704.db2.gz RXIIRLQZERKWBV-DTWKUNHWSA-N 0 3 252.336 -1.660 20 0 CAADHN COC(=O)[C@@H]1CNCCN1S(=O)(=O)CCN ZINC001239005650 780528006 /nfs/dbraw/zinc/52/80/06/780528006.db2.gz NIHSAKSICMFKJB-ZETCQYMHSA-N 0 3 251.308 -2.278 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2S(=O)(=O)CCN)O1 ZINC001239076746 780529998 /nfs/dbraw/zinc/52/99/98/780529998.db2.gz UFDPSWIOFWRGLS-BBBLOLIVSA-N 0 3 291.373 -1.405 20 0 CAADHN CN1CCN(C2CN(S(=O)(=O)CCN)C2)CC1=O ZINC001239098845 780530039 /nfs/dbraw/zinc/53/00/39/780530039.db2.gz ZCFVUDASVWRPJP-UHFFFAOYSA-N 0 3 276.362 -2.267 20 0 CAADHN COCCN1C[C@@H]2CN(S(=O)(=O)CCN)C[C@@H]2C1=O ZINC001239082186 780530080 /nfs/dbraw/zinc/53/00/80/780530080.db2.gz VADVHSIIRQYQFL-ZJUUUORDSA-N 0 3 291.373 -1.689 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2S(=O)(=O)CCN ZINC001239099670 780530102 /nfs/dbraw/zinc/53/01/02/780530102.db2.gz LNVRQXYADRSQNM-OWUUHHOZSA-N 0 3 292.357 -1.073 20 0 CAADHN CC(C)C(=O)N[C@@H]1[C@H]2CN(S(=O)(=O)CCN)C[C@H]21 ZINC001239083113 780530146 /nfs/dbraw/zinc/53/01/46/780530146.db2.gz WYBAHYGNSFFJJG-MYJAWHEDSA-N 0 3 275.374 -1.023 20 0 CAADHN CCOC(=O)CN(CC(=O)OCC)S(=O)(=O)CCN ZINC001239100601 780530297 /nfs/dbraw/zinc/53/02/97/780530297.db2.gz CIXMHJQXVGZQOH-UHFFFAOYSA-N 0 3 296.345 -1.297 20 0 CAADHN CCOC(=O)[C@H]1CN(S(=O)(=O)CCN)CCO1 ZINC001239094053 780530322 /nfs/dbraw/zinc/53/03/22/780530322.db2.gz HXSLCRUMWQPDQK-MRVPVSSYSA-N 0 3 266.319 -1.461 20 0 CAADHN COCCN1CCN(S(=O)(=O)CCN)CC1 ZINC001239072821 780530336 /nfs/dbraw/zinc/53/03/36/780530336.db2.gz CSUZDGFOHDVDJX-UHFFFAOYSA-N 0 3 251.352 -1.461 20 0 CAADHN NCCS(=O)(=O)N1CCC[C@]2(CCNC2=O)C1 ZINC001239076465 780530439 /nfs/dbraw/zinc/53/04/39/780530439.db2.gz QTVDLASDIVDMMA-JTQLQIEISA-N 0 3 261.347 -1.123 20 0 CAADHN COC[C@H]1CN(S(=O)(=O)CCN)Cc2nnn(C)c21 ZINC001239076069 780530449 /nfs/dbraw/zinc/53/04/49/780530449.db2.gz OZLKBUXPKYAUDB-MRVPVSSYSA-N 0 3 289.361 -1.351 20 0 CAADHN CC(=O)N1CCC2(CN(S(=O)(=O)CCN)C2)C1 ZINC001239083242 780530501 /nfs/dbraw/zinc/53/05/01/780530501.db2.gz RMMWBYPYVCBMRD-UHFFFAOYSA-N 0 3 261.347 -1.171 20 0 CAADHN CNC(=O)[C@@]12CCO[C@@H]1CCN(S(=O)(=O)CCN)C2 ZINC001239074398 780530716 /nfs/dbraw/zinc/53/07/16/780530716.db2.gz DNAKHEZIDGHFTG-MWLCHTKSSA-N 0 3 291.373 -1.498 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)c2cnn(C)c2)C[C@H]1N ZINC001239135791 780532332 /nfs/dbraw/zinc/53/23/32/780532332.db2.gz PIOLVTZFMADVAB-DTWKUNHWSA-N 0 3 288.329 -1.459 20 0 CAADHN NCCS(=O)(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001239125730 780532522 /nfs/dbraw/zinc/53/25/22/780532522.db2.gz PRIXMCIFFIVNND-UHFFFAOYSA-N 0 3 262.335 -1.578 20 0 CAADHN COC(=O)CS(=O)(=O)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239133471 780532558 /nfs/dbraw/zinc/53/25/58/780532558.db2.gz DEDLICWGARHNOP-BQBZGAKWSA-N 0 3 280.302 -2.079 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@H]1N ZINC001239134300 780532672 /nfs/dbraw/zinc/53/26/72/780532672.db2.gz LKMRRGQDMNQTJE-JGVFFNPUSA-N 0 3 288.329 -1.459 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)c2cn[nH]c2)C[C@@H]1N ZINC001239136262 780532750 /nfs/dbraw/zinc/53/27/50/780532750.db2.gz RAXAKFLJVZNKRN-YUMQZZPRSA-N 0 3 274.302 -1.470 20 0 CAADHN COC(=O)CCS(=O)(=O)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239136485 780532776 /nfs/dbraw/zinc/53/27/76/780532776.db2.gz SUGYDMOXDYWOJK-HTQZYQBOSA-N 0 3 294.329 -1.689 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)C2CCOCC2)C[C@H]1N ZINC001239134320 780533071 /nfs/dbraw/zinc/53/30/71/780533071.db2.gz HCSAPHDZXJCNFO-VHSXEESVSA-N 0 3 292.357 -1.073 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2ccn(C)n2)C[C@@H]1N ZINC001239134328 780533384 /nfs/dbraw/zinc/53/33/84/780533384.db2.gz HFHFHDGENJONJQ-SFYZADRCSA-N 0 3 288.329 -1.459 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)C2CCOCC2)C[C@@H]1N ZINC001239134319 780533452 /nfs/dbraw/zinc/53/34/52/780533452.db2.gz HCSAPHDZXJCNFO-UWVGGRQHSA-N 0 3 292.357 -1.073 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H]1N ZINC001239134786 780533477 /nfs/dbraw/zinc/53/34/77/780533477.db2.gz KFUYHBAOZGPVMD-AEJSXWLSSA-N 0 3 292.357 -1.073 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)C2CCOCC2)C[C@@H]1N ZINC001239134321 780533598 /nfs/dbraw/zinc/53/35/98/780533598.db2.gz HCSAPHDZXJCNFO-ZJUUUORDSA-N 0 3 292.357 -1.073 20 0 CAADHN CCOCCS(=O)(=O)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239134381 780533636 /nfs/dbraw/zinc/53/36/36/780533636.db2.gz HVELCNKYXPAUEN-RKDXNWHRSA-N 0 3 280.346 -1.215 20 0 CAADHN NCCS(=O)(=O)N1CCC(=O)N2CCC[C@@H]2C1 ZINC001239168098 780534369 /nfs/dbraw/zinc/53/43/69/780534369.db2.gz ZJDCXPXDPGWXID-SECBINFHSA-N 0 3 261.347 -1.028 20 0 CAADHN COC(=O)[C@H](C)NC(=O)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239299302 780534587 /nfs/dbraw/zinc/53/45/87/780534587.db2.gz RKCQRULKYABBGX-RNJXMRFFSA-N 0 3 273.289 -1.310 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)C(N)=O ZINC001278295090 780534610 /nfs/dbraw/zinc/53/46/10/780534610.db2.gz YMSMPFNPZHIFRX-SFYZADRCSA-N 0 3 256.306 -1.861 20 0 CAADHN COC(=O)C1(O)CCN(S(=O)(=O)CCN)CC1 ZINC001239144441 780534620 /nfs/dbraw/zinc/53/46/20/780534620.db2.gz HNKZKCLGMOIRLU-UHFFFAOYSA-N 0 3 266.319 -1.725 20 0 CAADHN CCOC(=O)CNC(=O)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239297422 780534644 /nfs/dbraw/zinc/53/46/44/780534644.db2.gz DISRRKLOFGCQII-YUMQZZPRSA-N 0 3 273.289 -1.309 20 0 CAADHN COC(=O)[C@]1(C)COCCN1S(=O)(=O)CCN ZINC001239162977 780534920 /nfs/dbraw/zinc/53/49/20/780534920.db2.gz OCNBTUKFKBHMFW-VIFPVBQESA-N 0 3 266.319 -1.461 20 0 CAADHN COC(=O)CNC(=S)NCCCC[C@H](N)C(N)=O ZINC001239389349 780535757 /nfs/dbraw/zinc/53/57/57/780535757.db2.gz UYPSWZKAGBMYQX-ZETCQYMHSA-N 0 3 276.362 -1.394 20 0 CAADHN COC(=O)CCNC(=S)NCCCC[C@H](N)C(N)=O ZINC001239388498 780536389 /nfs/dbraw/zinc/53/63/89/780536389.db2.gz IOSDIIUDMVGIOS-QMMMGPOBSA-N 0 3 290.389 -1.004 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CC3(C2)CNCCO3)CN1 ZINC001246617453 780557904 /nfs/dbraw/zinc/55/79/04/780557904.db2.gz CDWXUAKHNVXRHG-UWVGGRQHSA-N 0 3 255.318 -1.436 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CCOC[C@]3(CNCCO3)C2)CN1 ZINC001246602091 780557924 /nfs/dbraw/zinc/55/79/24/780557924.db2.gz IYRLUCUHRVKWFS-OBJOEFQTSA-N 0 3 299.371 -1.419 20 0 CAADHN CCOC(=O)[C@@H]1CNCCN1[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246601216 780558263 /nfs/dbraw/zinc/55/82/63/780558263.db2.gz IREBAESGBHUQQB-DCAQKATOSA-N 0 3 285.344 -1.273 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CCOC3(CNC3)C2)CN1 ZINC001246619007 780558722 /nfs/dbraw/zinc/55/87/22/780558722.db2.gz GNBJIMIKTAUOEL-UWVGGRQHSA-N 0 3 255.318 -1.436 20 0 CAADHN CCOC(=O)[C@H]1CNCCN1[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246601251 780558899 /nfs/dbraw/zinc/55/88/99/780558899.db2.gz IREBAESGBHUQQB-OUAUKWLOSA-N 0 3 285.344 -1.273 20 0 CAADHN O=C1C=CC(=O)N1CCN[C@H]1CCS(=O)(=O)C1 ZINC001254317880 780602324 /nfs/dbraw/zinc/60/23/24/780602324.db2.gz RBPHNSJGEIGOKC-QMMMGPOBSA-N 0 3 258.299 -1.312 20 0 CAADHN O=S1(=O)CC[C@@H](NCCOCCOCCO)C1 ZINC001254318359 780602347 /nfs/dbraw/zinc/60/23/47/780602347.db2.gz YKROEEYRHCUUCW-SNVBAGLBSA-N 0 3 267.347 -1.211 20 0 CAADHN CCOCC[NH2+]C[C@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001278773772 780602416 /nfs/dbraw/zinc/60/24/16/780602416.db2.gz KQOUWJNHMZQHPC-VIFPVBQESA-N 0 3 271.321 -1.136 20 0 CAADHN CCOCCN1CC[C@@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001278794699 780605233 /nfs/dbraw/zinc/60/52/33/780605233.db2.gz GKCOXRUSIXYLOQ-BXUZGUMPSA-N 0 3 299.371 -1.288 20 0 CAADHN CCOCCN1CC[C@](O)(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001278794702 780605278 /nfs/dbraw/zinc/60/52/78/780605278.db2.gz GKCOXRUSIXYLOQ-RISCZKNCSA-N 0 3 299.371 -1.288 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C1(C(N)=O)CC1 ZINC001278797286 780605526 /nfs/dbraw/zinc/60/55/26/780605526.db2.gz JHHRDLBPLNUKPG-ZETCQYMHSA-N 0 3 272.305 -2.854 20 0 CAADHN Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)C(N)=O ZINC001278797229 780605609 /nfs/dbraw/zinc/60/56/09/780605609.db2.gz IHEDOJUZEZITCO-JTQLQIEISA-N 0 3 283.332 -1.877 20 0 CAADHN CNC(=O)C1(C(=O)N(C)C[C@H](O)CN(C)CCO)CC1 ZINC001278877665 780617216 /nfs/dbraw/zinc/61/72/16/780617216.db2.gz ABXHDVGVVOAMDW-SNVBAGLBSA-N 0 3 287.360 -1.744 20 0 CAADHN NC(=O)C(NC1CCN(Cc2ccncc2)CC1)C(N)=O ZINC001256580200 780624863 /nfs/dbraw/zinc/62/48/63/780624863.db2.gz LYMMJIBXMSQQTB-UHFFFAOYSA-N 0 3 291.355 -1.025 20 0 CAADHN OC[C@H]1O[C@@H](O)[C@H](N[C@H]2CCCSC2)[C@@H](O)[C@@H]1O ZINC001257662674 780630294 /nfs/dbraw/zinc/63/02/94/780630294.db2.gz PWYSXMZZXITFTA-FHMMKVKMSA-N 0 3 279.358 -1.729 20 0 CAADHN COC(=O)CCS(=O)(=O)CC[C@@H](C)NC(CO)CO ZINC001257914107 780630609 /nfs/dbraw/zinc/63/06/09/780630609.db2.gz HJKZETQVUWTMJK-SECBINFHSA-N 0 3 297.373 -1.314 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001221264929 780409929 /nfs/dbraw/zinc/40/99/29/780409929.db2.gz CNSANRGAYUQAOJ-IIZKGIRYSA-N 0 3 290.393 -3.399 20 0 CAADHN C[C@@H](O)CN1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264698 780410160 /nfs/dbraw/zinc/41/01/60/780410160.db2.gz XYQPKLCKQUZWJE-OPRDCNLKSA-N 0 3 270.333 -1.432 20 0 CAADHN N[C@@H](CC1CCC1)C(=O)N1CN[C@@H](N)[C@@H]2NCN[C@H]21 ZINC001221264969 780410191 /nfs/dbraw/zinc/41/01/91/780410191.db2.gz DGSKDAQRHLGIJW-MMWGEVLESA-N 0 3 268.365 -1.977 20 0 CAADHN N[C@@H](CC1CCC1)C(=O)N1CN[C@@H](N)[C@H]2NCN[C@@H]21 ZINC001221264968 780410446 /nfs/dbraw/zinc/41/04/46/780410446.db2.gz DGSKDAQRHLGIJW-LNFKQOIKSA-N 0 3 268.365 -1.977 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001221264930 780410666 /nfs/dbraw/zinc/41/06/66/780410666.db2.gz CNSANRGAYUQAOJ-OORCTBAESA-N 0 3 290.393 -3.399 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221268975 780412762 /nfs/dbraw/zinc/41/27/62/780412762.db2.gz GKADCEDKEKAUQZ-IDHHQXPSSA-N 0 3 275.374 -1.133 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221268979 780412944 /nfs/dbraw/zinc/41/29/44/780412944.db2.gz GKADCEDKEKAUQZ-ZMFHDSSTSA-N 0 3 275.374 -1.133 20 0 CAADHN O=C(N[C@H]1CCCNC(=O)C1)[C@H]1COC2(CNC2)CN1 ZINC001221269806 780412995 /nfs/dbraw/zinc/41/29/95/780412995.db2.gz YFODDMQSCTWEOS-VHSXEESVSA-N 0 3 282.344 -1.898 20 0 CAADHN O=C(NCCCCCO)[C@H]1COC2(CNC2)CN1 ZINC001221281601 780413294 /nfs/dbraw/zinc/41/32/94/780413294.db2.gz VSXVFLDZNKWNDY-SNVBAGLBSA-N 0 3 257.334 -1.404 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)N[C@H]1CCNC[C@@H]1F ZINC001238048690 780512730 /nfs/dbraw/zinc/51/27/30/780512730.db2.gz AXWXNMPBBBRHFP-BQBZGAKWSA-N 0 3 274.339 -1.392 20 0 CAADHN COC(=O)CS(=O)(=O)[N-][C@@H]1CC[NH2+]C[C@@H]1F ZINC001238054003 780512742 /nfs/dbraw/zinc/51/27/42/780512742.db2.gz OWAOGBDIMDQQBJ-NKWVEPMBSA-N 0 3 254.283 -1.221 20 0 CAADHN C[C@H](O)CN[C@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001278180079 780512935 /nfs/dbraw/zinc/51/29/35/780512935.db2.gz XRSNLRBTBVHKGQ-WPRPVWTQSA-N 0 3 273.333 -2.040 20 0 CAADHN C[C@@H](O)CN[C@@H](CO)CNC(=O)C(=O)NCC1CC1 ZINC001278180065 780513288 /nfs/dbraw/zinc/51/32/88/780513288.db2.gz XRSNLRBTBVHKGQ-PSASIEDQSA-N 0 3 273.333 -2.040 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1ccc(C(N)=O)cn1 ZINC001278202870 780516207 /nfs/dbraw/zinc/51/62/07/780516207.db2.gz VWPUFJBHADCYJZ-SNVBAGLBSA-N 0 3 296.327 -1.493 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001278212864 780516371 /nfs/dbraw/zinc/51/63/71/780516371.db2.gz MJHYXKNGXPGIBD-SNVBAGLBSA-N 0 3 296.327 -1.493 20 0 CAADHN COCCn1cncc1CNS(=O)(=O)CCN ZINC001238525127 780518474 /nfs/dbraw/zinc/51/84/74/780518474.db2.gz RVIFFCAIJKOIBN-UHFFFAOYSA-N 0 3 262.335 -1.092 20 0 CAADHN NCCS(=O)(=O)NCCNC(=O)N1CCOCC1 ZINC001238448986 780518567 /nfs/dbraw/zinc/51/85/67/780518567.db2.gz JUSDAZYNBNLRRS-UHFFFAOYSA-N 0 3 280.350 -2.094 20 0 CAADHN NCCS(=O)(=O)NCCCCCN1C(=O)C=CC1=O ZINC001238455765 780518893 /nfs/dbraw/zinc/51/88/93/780518893.db2.gz NQXQRKVADMSAHW-UHFFFAOYSA-N 0 3 289.357 -1.040 20 0 CAADHN CN1CC[C@H](NC[C@H](NC(=O)C(N)=O)C2CCCC2)C1=O ZINC001278268171 780522057 /nfs/dbraw/zinc/52/20/57/780522057.db2.gz SFRFBIQJQXLKTG-QWRGUYRKSA-N 0 3 296.371 -1.033 20 0 CAADHN CN1CC[C@@H](NC[C@@H](NC(=O)C(N)=O)C2CCCC2)C1=O ZINC001278268169 780522069 /nfs/dbraw/zinc/52/20/69/780522069.db2.gz SFRFBIQJQXLKTG-GHMZBOCLSA-N 0 3 296.371 -1.033 20 0 CAADHN NCCS(=O)(=O)NCC(=O)NCC(=O)NCC(N)=O ZINC001238899645 780524110 /nfs/dbraw/zinc/52/41/10/780524110.db2.gz IRMZSPZADWESOK-UHFFFAOYSA-N 0 3 295.321 -4.418 20 0 CAADHN CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](NS(=O)(=O)CCN)C1 ZINC001238904957 780524182 /nfs/dbraw/zinc/52/41/82/780524182.db2.gz XWJWRWLSMOVBND-UTLUCORTSA-N 0 3 294.373 -1.043 20 0 CAADHN NCCS(=O)(=O)NCc1cncc(C(N)=O)c1 ZINC001238878452 780524195 /nfs/dbraw/zinc/52/41/95/780524195.db2.gz GHHGEBJHNVIDOP-UHFFFAOYSA-N 0 3 258.303 -1.441 20 0 CAADHN COCCOc1nccc(CNS(=O)(=O)CCN)n1 ZINC001238870042 780524244 /nfs/dbraw/zinc/52/42/44/780524244.db2.gz KUIYLJXFDCTMRI-UHFFFAOYSA-N 0 3 290.345 -1.120 20 0 CAADHN NCCS(=O)(=O)NCCCCN1C(=O)C=CC1=O ZINC001238851513 780524653 /nfs/dbraw/zinc/52/46/53/780524653.db2.gz GAXFPFAWKVBTSI-UHFFFAOYSA-N 0 3 275.330 -1.430 20 0 CAADHN NCCS(=O)(=O)NCC1CCN(C2COC2)CC1 ZINC001238886539 780524677 /nfs/dbraw/zinc/52/46/77/780524677.db2.gz YPTBQUOZPVIFFL-UHFFFAOYSA-N 0 3 277.390 -1.025 20 0 CAADHN C[C@H](NC(=O)[C@H](C)NS(=O)(=O)CCN)C(N)=O ZINC001238902694 780524692 /nfs/dbraw/zinc/52/46/92/780524692.db2.gz XOCNEDCEOOGZTH-WDSKDSINSA-N 0 3 266.323 -2.757 20 0 CAADHN CNC(=O)[C@H](CCCC[NH3+])[N-]S(=O)(=O)CC(=O)OC ZINC001238915278 780524903 /nfs/dbraw/zinc/52/49/03/780524903.db2.gz KAMCVWHLVAWOFM-QMMMGPOBSA-N 0 3 295.361 -1.678 20 0 CAADHN COCCOc1cc(CNS(=O)(=O)CCN)ncn1 ZINC001238870497 780524951 /nfs/dbraw/zinc/52/49/51/780524951.db2.gz QQRFTGROZGJAIZ-UHFFFAOYSA-N 0 3 290.345 -1.120 20 0 CAADHN CCOC(=O)CS(=O)(=O)NCCCC[C@H](N)C(N)=O ZINC001238838865 780524973 /nfs/dbraw/zinc/52/49/73/780524973.db2.gz NCUCBIGJBQDAPW-QMMMGPOBSA-N 0 3 295.361 -1.548 20 0 CAADHN CC(=O)OCN1CCC(NS(=O)(=O)CCN)CC1 ZINC001238885598 780525255 /nfs/dbraw/zinc/52/52/55/780525255.db2.gz PNCOCIAUSDSQPY-UHFFFAOYSA-N 0 3 279.362 -1.151 20 0 CAADHN C[C@H](CNCCC(=O)NC(N)=O)S(C)(=O)=O ZINC001261436675 780663962 /nfs/dbraw/zinc/66/39/62/780663962.db2.gz IKZNYCFMHWMFJM-ZCFIWIBFSA-N 0 3 251.308 -1.406 20 0 CAADHN CN(C)CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001261510487 780668469 /nfs/dbraw/zinc/66/84/69/780668469.db2.gz AQXQSMNLMVGNKP-UHFFFAOYSA-N 0 3 254.294 -1.603 20 0 CAADHN Cn1cc(CNC(=O)N2CCOC3(CNC3)C2)nn1 ZINC001261515241 780668610 /nfs/dbraw/zinc/66/86/10/780668610.db2.gz AKCWEFVYEAHXMA-UHFFFAOYSA-N 0 3 266.305 -1.301 20 0 CAADHN COCCNCC(=O)NC[C@@]12COC(=O)N1CCOC2 ZINC001261892737 780692034 /nfs/dbraw/zinc/69/20/34/780692034.db2.gz VZCCTAWUBJXPMV-GFCCVEGCSA-N 0 3 287.316 -1.440 20 0 CAADHN O=C(CNC[C@H](O)Cn1cccn1)N1CCCO1 ZINC001262576439 780715777 /nfs/dbraw/zinc/71/57/77/780715777.db2.gz PRFWFMCKUKAKNJ-JTQLQIEISA-N 0 3 254.290 -1.003 20 0 CAADHN CS(=O)(=O)CCNC(=O)N1CCNCCNCC1 ZINC001262570402 780715831 /nfs/dbraw/zinc/71/58/31/780715831.db2.gz VILADDWYPJQCFG-UHFFFAOYSA-N 0 3 278.378 -1.765 20 0 CAADHN Cn1cnc(CNC(=O)C(=O)N2CCNCCNCC2)c1 ZINC001262552631 780716514 /nfs/dbraw/zinc/71/65/14/780716514.db2.gz AXTKXWGTXVFBKC-UHFFFAOYSA-N 0 3 294.359 -1.942 20 0 CAADHN N[C@H](CO)C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC001263102124 780719412 /nfs/dbraw/zinc/71/94/12/780719412.db2.gz LPTGLNHKXMIIEO-WDEREUQCSA-N 0 3 257.334 -1.513 20 0 CAADHN N[C@H](CO)C(=O)N1CCN(C2CCOCC2)CC1 ZINC001263102474 780720241 /nfs/dbraw/zinc/72/02/41/780720241.db2.gz WAXCXCYAYPYMFH-LLVKDONJSA-N 0 3 257.334 -1.371 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC001263185591 780723415 /nfs/dbraw/zinc/72/34/15/780723415.db2.gz DDSDFNHUKLZXRP-NWDGAFQWSA-N 0 3 268.361 -1.567 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC001263185592 780723446 /nfs/dbraw/zinc/72/34/46/780723446.db2.gz DDSDFNHUKLZXRP-RYUDHWBXSA-N 0 3 268.361 -1.567 20 0 CAADHN O=C(C[C@H]1CNCCO1)N1CCN2CCOC[C@H]2C1 ZINC001263185970 780724206 /nfs/dbraw/zinc/72/42/06/780724206.db2.gz NURDVPUNDCNSGT-NEPJUHHUSA-N 0 3 269.345 -1.092 20 0 CAADHN COC(=O)[C@@H](O)CNC[C@@H]1CCS(=O)(=O)C1 ZINC000381051545 780727535 /nfs/dbraw/zinc/72/75/35/780727535.db2.gz IALXAKHQQYCWOF-YUMQZZPRSA-N 0 3 251.304 -1.455 20 0 CAADHN COC(=O)[C@@H](O)CNC[C@H]1CCS(=O)(=O)C1 ZINC000381051544 780728332 /nfs/dbraw/zinc/72/83/32/780728332.db2.gz IALXAKHQQYCWOF-SFYZADRCSA-N 0 3 251.304 -1.455 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1C[C@H](C)[C@H](O)C1 ZINC000388304987 780738021 /nfs/dbraw/zinc/73/80/21/780738021.db2.gz VZMBLRQBKGGSNA-NGZCFLSTSA-N 0 3 257.334 -1.075 20 0 CAADHN NC(=O)C(=O)NCc1nc(C[NH2+]CCCF)cc(=O)[n-]1 ZINC001264582799 780738236 /nfs/dbraw/zinc/73/82/36/780738236.db2.gz MLGYEADSRGQDMS-UHFFFAOYSA-N 0 3 285.279 -1.267 20 0 CAADHN CC(=O)N[C@H]1CCN(C[C@@H](O)CN2CCOCC2)C1 ZINC000389095863 780738351 /nfs/dbraw/zinc/73/83/51/780738351.db2.gz HODTVBUSFHWHSJ-STQMWFEESA-N 0 3 271.361 -1.110 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)COCCCOC ZINC001147064855 781499903 /nfs/dbraw/zinc/49/99/03/781499903.db2.gz QREMJKWFSKVPPV-SNVBAGLBSA-N 0 3 275.349 -1.120 20 0 CAADHN CC(=O)N[C@H]1CCN(C[C@H](O)CN2CCOCC2)C1 ZINC000389095862 780738534 /nfs/dbraw/zinc/73/85/34/780738534.db2.gz HODTVBUSFHWHSJ-QWHCGFSZSA-N 0 3 271.361 -1.110 20 0 CAADHN CC(=O)N[C@@H]1CCN(C[C@@H](O)CN2CCOCC2)C1 ZINC000389095861 780738972 /nfs/dbraw/zinc/73/89/72/780738972.db2.gz HODTVBUSFHWHSJ-OLZOCXBDSA-N 0 3 271.361 -1.110 20 0 CAADHN COCCC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)C(N)=O)n1 ZINC001264583058 780739166 /nfs/dbraw/zinc/73/91/66/780739166.db2.gz VJCIMZQGMWSLPM-UHFFFAOYSA-N 0 3 297.315 -1.590 20 0 CAADHN COC(=O)NCC(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001264689936 780739186 /nfs/dbraw/zinc/73/91/86/780739186.db2.gz KWOLUYSJXLPCEV-BDAKNGLRSA-N 0 3 259.306 -1.086 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1=NN(C)C(=O)CC1 ZINC000716752740 781565019 /nfs/dbraw/zinc/56/50/19/781565019.db2.gz LEDVKQRHXGIQND-QMMMGPOBSA-N 0 3 256.306 -1.367 20 0 CAADHN Cc1n[nH]cc1C(=O)N(CCO)CCNCC(N)=O ZINC001279782037 780776709 /nfs/dbraw/zinc/77/67/09/780776709.db2.gz CRJOFJDCXBEGGH-UHFFFAOYSA-N 0 3 269.305 -1.772 20 0 CAADHN COc1ncc(C(=O)N(CCO)CCNCC(N)=O)cn1 ZINC001279878733 780778149 /nfs/dbraw/zinc/77/81/49/780778149.db2.gz KIPYKIBOCQZPIN-UHFFFAOYSA-N 0 3 297.315 -2.005 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)Cc1ccco1 ZINC001279869368 780778189 /nfs/dbraw/zinc/77/81/89/780778189.db2.gz PBPKGEKGWQDMEI-UHFFFAOYSA-N 0 3 283.328 -1.021 20 0 CAADHN CNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001282467230 780818206 /nfs/dbraw/zinc/81/82/06/780818206.db2.gz GSDPKUAKZUWHIN-HTQZYQBOSA-N 0 3 268.321 -1.011 20 0 CAADHN CNC(=O)[C@@H](C)N(C)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001282467230 780818210 /nfs/dbraw/zinc/81/82/10/780818210.db2.gz GSDPKUAKZUWHIN-HTQZYQBOSA-N 0 3 268.321 -1.011 20 0 CAADHN C[C@H](CNC(=O)CN1CC(=O)N(C)C1=O)N(C)CCO ZINC001282478788 780819009 /nfs/dbraw/zinc/81/90/09/780819009.db2.gz UIQHOCYTLCBMFP-SECBINFHSA-N 0 3 286.332 -1.691 20 0 CAADHN C[C@@H](CNC(=O)c1ncn[nH]1)N(C)[C@@H](C)C(N)=O ZINC001282466757 780819352 /nfs/dbraw/zinc/81/93/52/780819352.db2.gz DGCVWIBFIBXGDS-BQBZGAKWSA-N 0 3 254.294 -1.271 20 0 CAADHN C[C@@H](CNC(=O)c1nc[nH]n1)N(C)[C@@H](C)C(N)=O ZINC001282466757 780819361 /nfs/dbraw/zinc/81/93/61/780819361.db2.gz DGCVWIBFIBXGDS-BQBZGAKWSA-N 0 3 254.294 -1.271 20 0 CAADHN CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1)OC ZINC001190717594 781884854 /nfs/dbraw/zinc/88/48/54/781884854.db2.gz KODMJTLJXFUBPG-IJLUTSLNSA-N 0 3 287.360 -1.291 20 0 CAADHN C[C@@H]1CN(C(=O)C2=COCCO2)C[C@@H]1NCC(N)=O ZINC001054357208 782594633 /nfs/dbraw/zinc/59/46/33/782594633.db2.gz OLBVQMNURHFPKB-BDAKNGLRSA-N 0 3 269.301 -1.204 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1NCC(N)=O ZINC001054375025 782595115 /nfs/dbraw/zinc/59/51/15/782595115.db2.gz ULBXNOIUQVSWMN-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H]1CN(C(=O)CCn2cncn2)C[C@@H]1NCC(N)=O ZINC001054394721 782595191 /nfs/dbraw/zinc/59/51/91/782595191.db2.gz PURLUJQGDFTVRA-UWVGGRQHSA-N 0 3 280.332 -1.410 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1NCC(N)=O ZINC001054480760 782595301 /nfs/dbraw/zinc/59/53/01/782595301.db2.gz OFZYPSOOQKHRTD-BDAKNGLRSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1NCC(N)=O ZINC001054442059 782595573 /nfs/dbraw/zinc/59/55/73/782595573.db2.gz WMBIEHKAOLHHTA-VXNVDRBHSA-N 0 3 251.290 -1.055 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1NCC(N)=O ZINC001054384783 782595657 /nfs/dbraw/zinc/59/56/57/782595657.db2.gz CMUQZNXHUYOWAY-NXEZZACHSA-N 0 3 265.317 -1.195 20 0 CAADHN C[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H]1NCC(N)=O ZINC001054463045 782595668 /nfs/dbraw/zinc/59/56/68/782595668.db2.gz LJFIZLHDSPULLY-ONGXEEELSA-N 0 3 279.344 -1.116 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1NCC(N)=O ZINC001054368584 782595694 /nfs/dbraw/zinc/59/56/94/782595694.db2.gz YAKMICVEHWLCTK-HTQZYQBOSA-N 0 3 267.293 -2.405 20 0 CAADHN C[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1NCC(N)=O ZINC001054357211 782595759 /nfs/dbraw/zinc/59/57/59/782595759.db2.gz OLBVQMNURHFPKB-RKDXNWHRSA-N 0 3 269.301 -1.204 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1NCC(N)=O ZINC001054375028 782595770 /nfs/dbraw/zinc/59/57/70/782595770.db2.gz ULBXNOIUQVSWMN-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1NCC(N)=O ZINC001054430062 782595884 /nfs/dbraw/zinc/59/58/84/782595884.db2.gz NDTMMFUYNZBYFY-APPZFPTMSA-N 0 3 251.290 -1.055 20 0 CAADHN C[C@@H]1CN(C(=O)CCn2cncn2)C[C@@H]1NCC(N)=O ZINC001054394723 782595974 /nfs/dbraw/zinc/59/59/74/782595974.db2.gz PURLUJQGDFTVRA-ZJUUUORDSA-N 0 3 280.332 -1.410 20 0 CAADHN CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001054309159 782595990 /nfs/dbraw/zinc/59/59/90/782595990.db2.gz UDFFNNYFUDJWBK-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1NCC(N)=O ZINC001054430063 782596152 /nfs/dbraw/zinc/59/61/52/782596152.db2.gz NDTMMFUYNZBYFY-CBAPKCEASA-N 0 3 251.290 -1.055 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1NCC(N)=O ZINC001054372218 782596201 /nfs/dbraw/zinc/59/62/01/782596201.db2.gz RJLNPPABHJXQBZ-SCZZXKLOSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1NCC(N)=O ZINC001054361878 782596247 /nfs/dbraw/zinc/59/62/47/782596247.db2.gz WFZYPMCGXHTDLD-CBAPKCEASA-N 0 3 279.300 -1.282 20 0 CAADHN C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@@H]1NCC(N)=O ZINC001054358232 782596262 /nfs/dbraw/zinc/59/62/62/782596262.db2.gz BKWGFMPRCFDRTN-ONGXEEELSA-N 0 3 278.312 -1.145 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1NCC(N)=O ZINC001054593302 782596707 /nfs/dbraw/zinc/59/67/07/782596707.db2.gz FJOMJEDXYPDZKE-VXNVDRBHSA-N 0 3 280.332 -1.462 20 0 CAADHN C[C@H]1CN(C(=O)CCn2ccnn2)C[C@H]1NCC(N)=O ZINC001054601298 782597766 /nfs/dbraw/zinc/59/77/66/782597766.db2.gz NXUARVXFBJPRMZ-VHSXEESVSA-N 0 3 280.332 -1.410 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001054294467 782592664 /nfs/dbraw/zinc/59/26/64/782592664.db2.gz IZRHOCYHYNPMLR-OUAUKWLOSA-N 0 3 294.355 -1.266 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001054294466 782593580 /nfs/dbraw/zinc/59/35/80/782593580.db2.gz IZRHOCYHYNPMLR-GMTAPVOTSA-N 0 3 294.355 -1.266 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001054298885 782594184 /nfs/dbraw/zinc/59/41/84/782594184.db2.gz IZRHOCYHYNPMLR-MXWKQRLJSA-N 0 3 294.355 -1.266 20 0 CAADHN Cc1c(C(=O)N2C[C@@H](C)[C@@H](NCC(N)=O)C2)nnn1C ZINC001054523242 782598377 /nfs/dbraw/zinc/59/83/77/782598377.db2.gz JMSCGPZNERDFOS-APPZFPTMSA-N 0 3 280.332 -1.341 20 0 CAADHN CCn1nncc1C(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001054636839 782598905 /nfs/dbraw/zinc/59/89/05/782598905.db2.gz UEGQPJOSRFLLJQ-IUCAKERBSA-N 0 3 280.332 -1.167 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1NCC(N)=O ZINC001054609950 782599032 /nfs/dbraw/zinc/59/90/32/782599032.db2.gz WBCDVKCQOCQSCQ-MWLCHTKSSA-N 0 3 279.344 -1.116 20 0 CAADHN C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1NCC(N)=O ZINC001054618227 782599147 /nfs/dbraw/zinc/59/91/47/782599147.db2.gz KDXBKERNPHHEBI-YUMQZZPRSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@H]1CN(C(=O)Cn2cnc(C(N)=O)n2)C[C@H]1NCCF ZINC001054674584 782599330 /nfs/dbraw/zinc/59/93/30/782599330.db2.gz WWUKJGUKQCOMTJ-DTWKUNHWSA-N 0 3 298.322 -1.217 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@H](C)[C@H](NCC(N)=O)C2)o1 ZINC001054634166 782599549 /nfs/dbraw/zinc/59/95/49/782599549.db2.gz LVQSPOGYKGBTDG-IONNQARKSA-N 0 3 281.316 -1.158 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@H](C)[C@H](NCC(N)=O)C2)[nH]1 ZINC001054632073 782599699 /nfs/dbraw/zinc/59/96/99/782599699.db2.gz BSFWUQFGXWAEKI-IONNQARKSA-N 0 3 280.332 -1.423 20 0 CAADHN C[C@H]1CN(C(=O)Cc2ccnn2C)C[C@H]1NCC(N)=O ZINC001054609944 782599829 /nfs/dbraw/zinc/59/98/29/782599829.db2.gz WBCDVKCQOCQSCQ-GXSJLCMTSA-N 0 3 279.344 -1.116 20 0 CAADHN C[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1NCC(N)=O ZINC001054618222 782599848 /nfs/dbraw/zinc/59/98/48/782599848.db2.gz KDXBKERNPHHEBI-HTQZYQBOSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1NCC(N)=O ZINC001054636429 782599871 /nfs/dbraw/zinc/59/98/71/782599871.db2.gz ONRZTRCKWQHDRN-JGVFFNPUSA-N 0 3 251.290 -1.055 20 0 CAADHN CCn1ncc(C(=O)N2C[C@H](NCC(N)=O)[C@@H](C)C2)n1 ZINC001054629761 782599881 /nfs/dbraw/zinc/59/98/81/782599881.db2.gz RGHNVOYSUGUMDC-WPRPVWTQSA-N 0 3 280.332 -1.167 20 0 CAADHN CCn1nncc1C(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001054636838 782599956 /nfs/dbraw/zinc/59/99/56/782599956.db2.gz UEGQPJOSRFLLJQ-DTWKUNHWSA-N 0 3 280.332 -1.167 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCC(N)=O ZINC001054633416 782600120 /nfs/dbraw/zinc/60/01/20/782600120.db2.gz JSYCNZDURDSPIH-HTQZYQBOSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1NCC(N)=O ZINC001054616164 782600190 /nfs/dbraw/zinc/60/01/90/782600190.db2.gz RTXYZHJTUQQDLM-JGVFFNPUSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@@H]1NCC(N)=O ZINC001054601299 782600209 /nfs/dbraw/zinc/60/02/09/782600209.db2.gz NXUARVXFBJPRMZ-ZJUUUORDSA-N 0 3 280.332 -1.410 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1NCC(N)=O ZINC001054751113 782601188 /nfs/dbraw/zinc/60/11/88/782601188.db2.gz FUAHOKBNTQNYHX-SCZZXKLOSA-N 0 3 293.327 -1.684 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1NCC(N)=O ZINC001054746902 782601268 /nfs/dbraw/zinc/60/12/68/782601268.db2.gz GJQBXJVPUUPVIV-UWVGGRQHSA-N 0 3 298.343 -2.233 20 0 CAADHN C[C@H]1CN(C(=O)c2cc(=O)n(C)cn2)C[C@@H]1NCC(N)=O ZINC001054751115 782601348 /nfs/dbraw/zinc/60/13/48/782601348.db2.gz FUAHOKBNTQNYHX-WPRPVWTQSA-N 0 3 293.327 -1.684 20 0 CAADHN C[C@H]1CN(C(=O)Cn2nccn2)C[C@H]1NCC(N)=O ZINC001054697867 782601504 /nfs/dbraw/zinc/60/15/04/782601504.db2.gz QIIJSWHQTPOAFP-DTWKUNHWSA-N 0 3 266.305 -1.800 20 0 CAADHN C[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@H]1NCC(N)=O ZINC001054848326 782602489 /nfs/dbraw/zinc/60/24/89/782602489.db2.gz VWUYUZIBPARRFH-GXSJLCMTSA-N 0 3 292.339 -1.079 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCCNC2=O)C[C@@H]1NCC(N)=O ZINC001054854057 782603117 /nfs/dbraw/zinc/60/31/17/782603117.db2.gz NXQXNPPKQZFTTP-UWVGGRQHSA-N 0 3 297.359 -1.677 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1NCC(N)=O ZINC001054923146 782603253 /nfs/dbraw/zinc/60/32/53/782603253.db2.gz SBEWGTBZHUDDFH-BDAKNGLRSA-N 0 3 293.327 -1.684 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1NCC(N)=O ZINC001054854058 782603315 /nfs/dbraw/zinc/60/33/15/782603315.db2.gz NXQXNPPKQZFTTP-VHSXEESVSA-N 0 3 297.359 -1.677 20 0 CAADHN C[C@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1NCC(N)=O ZINC001054881975 782603347 /nfs/dbraw/zinc/60/33/47/782603347.db2.gz BYEZHIFZMYKCBQ-JGVFFNPUSA-N 0 3 294.311 -1.086 20 0 CAADHN C[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1NCC(N)=O ZINC001054848329 782603369 /nfs/dbraw/zinc/60/33/69/782603369.db2.gz VWUYUZIBPARRFH-ONGXEEELSA-N 0 3 292.339 -1.079 20 0 CAADHN C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@@H]1NCC(N)=O ZINC001054923148 782603381 /nfs/dbraw/zinc/60/33/81/782603381.db2.gz SBEWGTBZHUDDFH-IUCAKERBSA-N 0 3 293.327 -1.684 20 0 CAADHN CCn1cc(CC(=O)N2C[C@@H](C)[C@@H](NCC(N)=O)C2)nn1 ZINC001054926054 782603453 /nfs/dbraw/zinc/60/34/53/782603453.db2.gz ZHMWTASZEDUBNT-KOLCDFICSA-N 0 3 294.359 -1.238 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)ccc2=O)C[C@H]1NCC(N)=O ZINC001054884609 782603503 /nfs/dbraw/zinc/60/35/03/782603503.db2.gz FKDOASLWGBKGIC-MWLCHTKSSA-N 0 3 292.339 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1NCC(N)=O ZINC001054990080 782604560 /nfs/dbraw/zinc/60/45/60/782604560.db2.gz WAVWNBZOEXPPAI-GPTQDWHKSA-N 0 3 267.329 -1.199 20 0 CAADHN C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@H]1NCC(N)=O ZINC001055011953 782604626 /nfs/dbraw/zinc/60/46/26/782604626.db2.gz HINQLNBROAYCRF-MWLCHTKSSA-N 0 3 295.343 -1.279 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1NCCF ZINC001054969016 782604673 /nfs/dbraw/zinc/60/46/73/782604673.db2.gz NXXFGNUBVLXXGF-MNOVXSKESA-N 0 3 286.351 -1.176 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1NCC(N)=O ZINC001054968694 782604840 /nfs/dbraw/zinc/60/48/40/782604840.db2.gz LGMUEGKQYMRNBG-NXEZZACHSA-N 0 3 297.359 -2.660 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1NCC(N)=O ZINC001054990081 782604884 /nfs/dbraw/zinc/60/48/84/782604884.db2.gz WAVWNBZOEXPPAI-RWHSBRQSSA-N 0 3 267.329 -1.199 20 0 CAADHN Cc1n[nH]nc1C(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001054965835 782604935 /nfs/dbraw/zinc/60/49/35/782604935.db2.gz WNXPVZZNNXMEEY-XPUUQOCRSA-N 0 3 266.305 -1.351 20 0 CAADHN C[C@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1NCC(N)=O ZINC001054929955 782604991 /nfs/dbraw/zinc/60/49/91/782604991.db2.gz IUFPBHNMVKDATG-CBAPKCEASA-N 0 3 294.311 -1.086 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1NCC(N)=O ZINC001054968704 782605122 /nfs/dbraw/zinc/60/51/22/782605122.db2.gz LGMUEGKQYMRNBG-UWVGGRQHSA-N 0 3 297.359 -2.660 20 0 CAADHN C[C@@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@@H]1NCC(N)=O ZINC001054929954 782605140 /nfs/dbraw/zinc/60/51/40/782605140.db2.gz IUFPBHNMVKDATG-APPZFPTMSA-N 0 3 294.311 -1.086 20 0 CAADHN COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001054968189 782605455 /nfs/dbraw/zinc/60/54/55/782605455.db2.gz DGJJTILSCDWENZ-PSASIEDQSA-N 0 3 295.343 -1.036 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@H]1NCCF ZINC001054969018 782605472 /nfs/dbraw/zinc/60/54/72/782605472.db2.gz NXXFGNUBVLXXGF-WDEREUQCSA-N 0 3 286.351 -1.176 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCc1cncn1C ZINC001055020478 782606185 /nfs/dbraw/zinc/60/61/85/782606185.db2.gz PJBNKPOKRPSRIO-PSASIEDQSA-N 0 3 265.317 -1.158 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NCc1cncn1C ZINC001055020480 782606386 /nfs/dbraw/zinc/60/63/86/782606386.db2.gz PJBNKPOKRPSRIO-WCBMZHEXSA-N 0 3 265.317 -1.158 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)N1CCCCC1 ZINC001055020728 782606585 /nfs/dbraw/zinc/60/65/85/782606585.db2.gz SUGBLTYWAXKXTI-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)N1CCOCC1 ZINC001055022942 782607348 /nfs/dbraw/zinc/60/73/48/782607348.db2.gz IUAWYRFDPYHIER-ZJUUUORDSA-N 0 3 298.343 -2.233 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001055372926 782610374 /nfs/dbraw/zinc/61/03/74/782610374.db2.gz QQVIAZCWXLNAQF-PHIMTYICSA-N 0 3 296.371 -1.271 20 0 CAADHN CC[C@H](C(=O)NCCN(CCO)C(=O)COC)N(C)C ZINC001056785511 782636313 /nfs/dbraw/zinc/63/63/13/782636313.db2.gz NLMDGGXRBZNXJW-LLVKDONJSA-N 0 3 289.376 -1.090 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CN(C)CCO1)NCC(N)=O ZINC001265761153 782658088 /nfs/dbraw/zinc/65/80/88/782658088.db2.gz OLUJAKAAQFYOKJ-RKDXNWHRSA-N 0 3 258.322 -2.103 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1CCC[C@H]2CN(CCO)C[C@H]21 ZINC001050129221 782658614 /nfs/dbraw/zinc/65/86/14/782658614.db2.gz GHZFESDCRYWUBZ-GARJFASQSA-N 0 3 282.344 -1.417 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@H]3CN(CCO)C[C@H]32)n1 ZINC001050115801 782655722 /nfs/dbraw/zinc/65/57/22/782655722.db2.gz GQJYBLXMCXTNCK-VHSXEESVSA-N 0 3 280.332 -1.261 20 0 CAADHN CN1C[C@H](C(=O)N2CCC[C@H]3CN(CCO)C[C@H]32)NC1=O ZINC001050113621 782655998 /nfs/dbraw/zinc/65/59/98/782655998.db2.gz UYRATPYGMUQUEO-QJPTWQEYSA-N 0 3 296.371 -1.075 20 0 CAADHN CN1CC[C@H](N2CCC3(CN(C(=O)C(N)=O)C3)CC2)C1=O ZINC001050644041 782668407 /nfs/dbraw/zinc/66/84/07/782668407.db2.gz CYXLDJWDUGVNOJ-JTQLQIEISA-N 0 3 294.355 -1.373 20 0 CAADHN CC[C@@H](C(N)=O)N1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050644603 782668672 /nfs/dbraw/zinc/66/86/72/782668672.db2.gz MYRJABKENJJAAC-VIFPVBQESA-N 0 3 282.344 -1.340 20 0 CAADHN NC(=O)C(=O)N1CC2(C1)CCN([C@@H]1CCCNC1=O)CC2 ZINC001050642169 782668937 /nfs/dbraw/zinc/66/89/37/782668937.db2.gz AJMVHADENHSXPM-SNVBAGLBSA-N 0 3 294.355 -1.325 20 0 CAADHN C[C@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050772492 782669696 /nfs/dbraw/zinc/66/96/96/782669696.db2.gz MYSOHDAKUAILJH-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001050772489 782670695 /nfs/dbraw/zinc/67/06/95/782670695.db2.gz MYSOHDAKUAILJH-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN COCC(=O)N1CCO[C@H](CN[C@H]2CCN(C)C2=O)C1 ZINC001051374418 782694331 /nfs/dbraw/zinc/69/43/31/782694331.db2.gz JITDGKXZHSUECG-MNOVXSKESA-N 0 3 285.344 -1.320 20 0 CAADHN COCC(=O)N1CCO[C@@H](CN[C@@H]2CCCNC2=O)C1 ZINC001051374581 782694415 /nfs/dbraw/zinc/69/44/15/782694415.db2.gz AVFDVZIWEKKVRG-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN COCC(=O)N1CCO[C@H](CN[C@H]2CCCNC2=O)C1 ZINC001051374577 782694440 /nfs/dbraw/zinc/69/44/40/782694440.db2.gz AVFDVZIWEKKVRG-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CC(=O)N1CCO[C@H](CN[C@@H]2CCC(=O)NC2=O)C1 ZINC001051384835 782695249 /nfs/dbraw/zinc/69/52/49/782695249.db2.gz VKTNEAMCOHCKTH-NXEZZACHSA-N 0 3 269.301 -1.372 20 0 CAADHN COCC(=O)N1CCO[C@H](CN[C@H]2CCC(=O)NC2=O)C1 ZINC001051375514 782695257 /nfs/dbraw/zinc/69/52/57/782695257.db2.gz HLFNOTBGPVPVLE-ZJUUUORDSA-N 0 3 299.327 -1.745 20 0 CAADHN O=C(C(F)F)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051380675 782695624 /nfs/dbraw/zinc/69/56/24/782695624.db2.gz MBXBEYYQVNBGDZ-YUMQZZPRSA-N 0 3 277.271 -1.043 20 0 CAADHN O=C(c1ccon1)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051461233 782695777 /nfs/dbraw/zinc/69/57/77/782695777.db2.gz NTNKDJKAHPUBFW-VHSXEESVSA-N 0 3 294.311 -1.006 20 0 CAADHN CC(=O)N1CCO[C@@H](CN[C@H]2CCC(=O)NC2=O)C1 ZINC001051384839 782695804 /nfs/dbraw/zinc/69/58/04/782695804.db2.gz VKTNEAMCOHCKTH-UWVGGRQHSA-N 0 3 269.301 -1.372 20 0 CAADHN O=C(c1cn[nH]c1)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051462689 782697508 /nfs/dbraw/zinc/69/75/08/782697508.db2.gz JNLVUVIKKPQDKF-WDEREUQCSA-N 0 3 293.327 -1.271 20 0 CAADHN Cc1nc(CNC[C@H]2CN(C(=O)CC(N)=O)CCO2)n[nH]1 ZINC001051504233 782698485 /nfs/dbraw/zinc/69/84/85/782698485.db2.gz GQHRHIQXZVSPSL-VIFPVBQESA-N 0 3 296.331 -1.694 20 0 CAADHN NC(=O)CC(=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051505133 782698798 /nfs/dbraw/zinc/69/87/98/782698798.db2.gz MLCKHZWRBRBHQX-DTWKUNHWSA-N 0 3 284.316 -2.433 20 0 CAADHN Cn1cc(CNC[C@H]2CN(C(=O)CC(N)=O)CCO2)cn1 ZINC001051502174 782698888 /nfs/dbraw/zinc/69/88/88/782698888.db2.gz OJCPLULCFLOJDK-NSHDSACASA-N 0 3 295.343 -1.388 20 0 CAADHN Cn1nccc1CNC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001051502479 782698975 /nfs/dbraw/zinc/69/89/75/782698975.db2.gz SBOPJDPFDPBSSZ-LLVKDONJSA-N 0 3 295.343 -1.388 20 0 CAADHN Cn1nccc1CNC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001051502480 782699123 /nfs/dbraw/zinc/69/91/23/782699123.db2.gz SBOPJDPFDPBSSZ-NSHDSACASA-N 0 3 295.343 -1.388 20 0 CAADHN Cn1cncc1CNC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001051502669 782699313 /nfs/dbraw/zinc/69/93/13/782699313.db2.gz UQKOCPIPUOGBBN-LLVKDONJSA-N 0 3 295.343 -1.388 20 0 CAADHN NC(=O)CC(=O)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051505135 782699350 /nfs/dbraw/zinc/69/93/50/782699350.db2.gz MLCKHZWRBRBHQX-RKDXNWHRSA-N 0 3 284.316 -2.433 20 0 CAADHN O=C(c1cocn1)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051490445 782699368 /nfs/dbraw/zinc/69/93/68/782699368.db2.gz ZALYYHCQQUWRCG-NXEZZACHSA-N 0 3 294.311 -1.006 20 0 CAADHN O=C(c1ncc[nH]1)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051603492 782700425 /nfs/dbraw/zinc/70/04/25/782700425.db2.gz YYJLOLBPBWUARS-UWVGGRQHSA-N 0 3 293.327 -1.271 20 0 CAADHN CN1CC[C@@H](NC[C@H]2CN(C(=O)CC(N)=O)CCO2)C1=O ZINC001051506167 782700823 /nfs/dbraw/zinc/70/08/23/782700823.db2.gz YBMRYANCYYKWKY-VHSXEESVSA-N 0 3 298.343 -2.091 20 0 CAADHN CN1CC[C@H](NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051794112 782704101 /nfs/dbraw/zinc/70/41/01/782704101.db2.gz HLNCHKUYEGJRBD-IUCAKERBSA-N 0 3 284.316 -2.481 20 0 CAADHN NC(=O)C(=O)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051793438 782704209 /nfs/dbraw/zinc/70/42/09/782704209.db2.gz AMAQBERJKBZZSW-HTQZYQBOSA-N 0 3 270.289 -2.823 20 0 CAADHN O=C(c1cnco1)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051742133 782701784 /nfs/dbraw/zinc/70/17/84/782701784.db2.gz CRLIAWRNBKNSCK-ZJUUUORDSA-N 0 3 294.311 -1.006 20 0 CAADHN O=C(c1cnco1)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051742130 782702448 /nfs/dbraw/zinc/70/24/48/782702448.db2.gz CRLIAWRNBKNSCK-NXEZZACHSA-N 0 3 294.311 -1.006 20 0 CAADHN CN1CCC[C@@H](NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051794449 782704927 /nfs/dbraw/zinc/70/49/27/782704927.db2.gz NMTGVTKZWJWCLE-NXEZZACHSA-N 0 3 298.343 -2.091 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051793441 782704962 /nfs/dbraw/zinc/70/49/62/782704962.db2.gz AMAQBERJKBZZSW-YUMQZZPRSA-N 0 3 270.289 -2.823 20 0 CAADHN Cc1ncc(CNC[C@@H]2CN(C(=O)C(N)=O)CCO2)cn1 ZINC001051793490 782705162 /nfs/dbraw/zinc/70/51/62/782705162.db2.gz BMQXVBQXWJMWLY-LLVKDONJSA-N 0 3 293.327 -1.413 20 0 CAADHN NC(=O)C(=O)N1CCO[C@H](CN[C@H]2CCC(=O)NC2=O)C1 ZINC001051794319 782705328 /nfs/dbraw/zinc/70/53/28/782705328.db2.gz KEIYBVFHVPIFJB-SFYZADRCSA-N 0 3 298.299 -2.906 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H](CN[C@H]2CCC(=O)NC2=O)C1 ZINC001051794320 782705435 /nfs/dbraw/zinc/70/54/35/782705435.db2.gz KEIYBVFHVPIFJB-YUMQZZPRSA-N 0 3 298.299 -2.906 20 0 CAADHN Cn1cncc1CNC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051795321 782705793 /nfs/dbraw/zinc/70/57/93/782705793.db2.gz DZFFOYCDYBRLJW-SNVBAGLBSA-N 0 3 281.316 -1.778 20 0 CAADHN Cn1nccc1CNC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051796489 782706090 /nfs/dbraw/zinc/70/60/90/782706090.db2.gz SGPDRSVOXVQDAR-SNVBAGLBSA-N 0 3 281.316 -1.778 20 0 CAADHN CCN1CC[C@H](NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051794806 782706328 /nfs/dbraw/zinc/70/63/28/782706328.db2.gz SPIOHNOLFGNZLQ-ZJUUUORDSA-N 0 3 298.343 -2.091 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H](CN[C@H]2CCCNC2=O)C1 ZINC001051795093 782706625 /nfs/dbraw/zinc/70/66/25/782706625.db2.gz ZQQLFEFEOYRTBJ-IUCAKERBSA-N 0 3 284.316 -2.433 20 0 CAADHN NC(=O)C(=O)N1CCO[C@H](CN[C@@H]2CCCNC2=O)C1 ZINC001051795094 782706721 /nfs/dbraw/zinc/70/67/21/782706721.db2.gz ZQQLFEFEOYRTBJ-RKDXNWHRSA-N 0 3 284.316 -2.433 20 0 CAADHN O=C(c1cnon1)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051876030 782707467 /nfs/dbraw/zinc/70/74/67/782707467.db2.gz HALQYOHJDJEHAP-IUCAKERBSA-N 0 3 295.299 -1.611 20 0 CAADHN CC(=O)NCCN(CCO)C(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC001057833804 782718049 /nfs/dbraw/zinc/71/80/49/782718049.db2.gz RJPXFZTWFJTOHP-STQMWFEESA-N 0 3 299.371 -1.193 20 0 CAADHN CC(=O)NCCN(CCO)C(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC001057833803 782718315 /nfs/dbraw/zinc/71/83/15/782718315.db2.gz RJPXFZTWFJTOHP-QWHCGFSZSA-N 0 3 299.371 -1.193 20 0 CAADHN CC(C)N(C)CC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001057863034 782718905 /nfs/dbraw/zinc/71/89/05/782718905.db2.gz CQSDIGPLWKAQHZ-UHFFFAOYSA-N 0 3 288.348 -2.251 20 0 CAADHN C[C@@H](NC(=O)Cn1ncnn1)C1CN(C[C@H](C)O)C1 ZINC001276380658 782732177 /nfs/dbraw/zinc/73/21/77/782732177.db2.gz BZQNUQHEOYATEL-DTWKUNHWSA-N 0 3 268.321 -1.510 20 0 CAADHN C[C@@H](O)CN1CC([C@@H](C)NC(=O)Cn2ncnn2)C1 ZINC001276380660 782732700 /nfs/dbraw/zinc/73/27/00/782732700.db2.gz BZQNUQHEOYATEL-RKDXNWHRSA-N 0 3 268.321 -1.510 20 0 CAADHN CCS(=O)(=O)NCCNc1cc(C)nc(N)n1 ZINC000390282806 782744686 /nfs/dbraw/zinc/74/46/86/782744686.db2.gz MIJAZNJIIQTEAP-UHFFFAOYSA-N 0 3 259.335 -1.029 20 0 CAADHN CN(C)C(=O)CCCNS(=O)(=O)N1CCNCC1 ZINC000390285110 782745776 /nfs/dbraw/zinc/74/57/76/782745776.db2.gz FJIREDSIVYGEGP-UHFFFAOYSA-N 0 3 278.378 -1.406 20 0 CAADHN O=C([C@H]1CCCO1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070140462 782747163 /nfs/dbraw/zinc/74/71/63/782747163.db2.gz ONJFHHVPONJZSH-GRYCIOLGSA-N 0 3 295.343 -1.209 20 0 CAADHN CO[C@@H](C)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070150513 782747182 /nfs/dbraw/zinc/74/71/82/782747182.db2.gz PGXNRNAIVYFCRM-AXFHLTTASA-N 0 3 283.332 -1.353 20 0 CAADHN O=C(c1ccon1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070150683 782747588 /nfs/dbraw/zinc/74/75/88/782747588.db2.gz WLMVNVCIJMECAU-MNOVXSKESA-N 0 3 292.299 -1.086 20 0 CAADHN CO[C@H](C)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070150514 782748238 /nfs/dbraw/zinc/74/82/38/782748238.db2.gz PGXNRNAIVYFCRM-MXWKQRLJSA-N 0 3 283.332 -1.353 20 0 CAADHN O=C([C@@H]1CCCO1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070140467 782748314 /nfs/dbraw/zinc/74/83/14/782748314.db2.gz ONJFHHVPONJZSH-WOPDTQHZSA-N 0 3 295.343 -1.209 20 0 CAADHN O=C(c1cnco1)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070246333 782749803 /nfs/dbraw/zinc/74/98/03/782749803.db2.gz RPDIWSDUOYKIQU-ZJUUUORDSA-N 0 3 292.299 -1.086 20 0 CAADHN O=C(CNS(=O)(=O)N1CCNCC1)NCC1CC1 ZINC000393107977 782755289 /nfs/dbraw/zinc/75/52/89/782755289.db2.gz JUMXNBZPLFOGRK-UHFFFAOYSA-N 0 3 276.362 -1.748 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@]2(CCN(CCO)C2)O1 ZINC001071149281 782756636 /nfs/dbraw/zinc/75/66/36/782756636.db2.gz JJXMQAVPSNMDMR-ZWNOBZJWSA-N 0 3 285.344 -1.454 20 0 CAADHN NC(=O)CN[C@@H]1CCO[C@H]1C1CCN(C(=O)C(N)=O)CC1 ZINC001071083150 782757546 /nfs/dbraw/zinc/75/75/46/782757546.db2.gz YDVGQELZETVVCG-KOLCDFICSA-N 0 3 298.343 -2.057 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)CN1CCO ZINC001071341219 782761001 /nfs/dbraw/zinc/76/10/01/782761001.db2.gz ZXNUXHYMNWYVKQ-VHSXEESVSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@]2(CCN(CCCO)C2)O1 ZINC001071150062 782758693 /nfs/dbraw/zinc/75/86/93/782758693.db2.gz WULHUGWOIHFAHQ-BXUZGUMPSA-N 0 3 299.371 -1.064 20 0 CAADHN COCCN1CC[C@@]2(C1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001071203749 782758891 /nfs/dbraw/zinc/75/88/91/782758891.db2.gz HFIVTUIGHCWTLX-ZWNOBZJWSA-N 0 3 285.344 -1.190 20 0 CAADHN COCCN1CC[C@@]2(C1)CN(C(=O)C(N)=O)C[C@H](C)O2 ZINC001071203747 782759303 /nfs/dbraw/zinc/75/93/03/782759303.db2.gz HFIVTUIGHCWTLX-GXFFZTMASA-N 0 3 285.344 -1.190 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CCN(CCCO)C2)O1 ZINC001071203610 782759485 /nfs/dbraw/zinc/75/94/85/782759485.db2.gz FCXOHNAHECHISL-GWCFXTLKSA-N 0 3 285.344 -1.454 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)CN1CCO ZINC001071341218 782760453 /nfs/dbraw/zinc/76/04/53/782760453.db2.gz ZXNUXHYMNWYVKQ-UWVGGRQHSA-N 0 3 268.321 -1.366 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001071222523 782760603 /nfs/dbraw/zinc/76/06/03/782760603.db2.gz OAUWVYMITSZDIT-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)CN1CCO ZINC001071341220 782760907 /nfs/dbraw/zinc/76/09/07/782760907.db2.gz ZXNUXHYMNWYVKQ-ZJUUUORDSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)Cn2ncnn2)CN1CCO ZINC001071514914 782763447 /nfs/dbraw/zinc/76/34/47/782763447.db2.gz PHDZZGFXQMYQRL-ZJUUUORDSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)Cn2ncnn2)CN1CCO ZINC001071514912 782763958 /nfs/dbraw/zinc/76/39/58/782763958.db2.gz PHDZZGFXQMYQRL-UWVGGRQHSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)CN1CCO ZINC001071624451 782766787 /nfs/dbraw/zinc/76/67/87/782766787.db2.gz HGPCWLSUNZHKGI-GHMZBOCLSA-N 0 3 297.359 -1.457 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)CN1CCO ZINC001071341217 782761258 /nfs/dbraw/zinc/76/12/58/782761258.db2.gz ZXNUXHYMNWYVKQ-NXEZZACHSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)CN2CCNC(=O)C2)CN1CCO ZINC001071739595 782768622 /nfs/dbraw/zinc/76/86/22/782768622.db2.gz VXJQVJADJFLFNT-NEPJUHHUSA-N 0 3 298.387 -1.620 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)CN1CCO ZINC001072054669 782771500 /nfs/dbraw/zinc/77/15/00/782771500.db2.gz HNSRZPMFFRDWRB-VHSXEESVSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)CN1CCO ZINC001072054667 782772402 /nfs/dbraw/zinc/77/24/02/782772402.db2.gz HNSRZPMFFRDWRB-NXEZZACHSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)CN2C(=O)CNC2=O)CN1CCO ZINC001072054668 782772665 /nfs/dbraw/zinc/77/26/65/782772665.db2.gz HNSRZPMFFRDWRB-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001072151325 782773930 /nfs/dbraw/zinc/77/39/30/782773930.db2.gz AJTHXRXFQKDVHN-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001072286755 782774028 /nfs/dbraw/zinc/77/40/28/782774028.db2.gz NXCFTDMYRAGHSD-VHSXEESVSA-N 0 3 284.360 -1.225 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC001072286756 782774561 /nfs/dbraw/zinc/77/45/61/782774561.db2.gz NXCFTDMYRAGHSD-ZJUUUORDSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@@H]1CCN(C(=O)C(N)=O)C[C@@H]1CNCc1cn(C)nn1 ZINC001072353356 782774819 /nfs/dbraw/zinc/77/48/19/782774819.db2.gz SVAWJYNVPPFHHX-ZJUUUORDSA-N 0 3 294.359 -1.125 20 0 CAADHN CCCN(C)CC(=O)N1C[C@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001072482073 782776260 /nfs/dbraw/zinc/77/62/60/782776260.db2.gz YZCCRKDQBJACRO-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CCCN(C)CC(=O)N1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001072482071 782776868 /nfs/dbraw/zinc/77/68/68/782776868.db2.gz YZCCRKDQBJACRO-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CON(C)C(=O)CNC[C@@H](O)CN1CCOCC1 ZINC000397536512 782777868 /nfs/dbraw/zinc/77/78/68/782777868.db2.gz LPLYRVCTRCPHQK-SNVBAGLBSA-N 0 3 261.322 -1.711 20 0 CAADHN NC(=O)CC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001072568600 782778369 /nfs/dbraw/zinc/77/83/69/782778369.db2.gz ZURBKKCLBMULRA-UHFFFAOYSA-N 0 3 292.343 -1.312 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001072641037 782779728 /nfs/dbraw/zinc/77/97/28/782779728.db2.gz JVDZGRNBTTUAFU-UWVGGRQHSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072638192 782780289 /nfs/dbraw/zinc/78/02/89/782780289.db2.gz HOHYBSNIBSEING-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001072638082 782780349 /nfs/dbraw/zinc/78/03/49/782780349.db2.gz GBQVMHBHEBLBJL-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001072641039 782780482 /nfs/dbraw/zinc/78/04/82/782780482.db2.gz JVDZGRNBTTUAFU-ZJUUUORDSA-N 0 3 284.360 -1.225 20 0 CAADHN Cn1cnc(C(=O)N2CC3(C2)CCN(CCO)C3)n1 ZINC001072694568 782782195 /nfs/dbraw/zinc/78/21/95/782782195.db2.gz BSZXDBTVVQXJEV-UHFFFAOYSA-N 0 3 265.317 -1.045 20 0 CAADHN NC(=O)C(=O)N1CC2(C1)CCN(CCN1CCCC1=O)C2 ZINC001072938284 782789087 /nfs/dbraw/zinc/78/90/87/782789087.db2.gz QOUWGVTZRMTFPV-UHFFFAOYSA-N 0 3 294.355 -1.372 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1COCCO1 ZINC001073543655 782791827 /nfs/dbraw/zinc/79/18/27/782791827.db2.gz LLUQXRQIZCNLPE-NWDGAFQWSA-N 0 3 288.344 -1.399 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1COCCO1 ZINC001073543657 782792510 /nfs/dbraw/zinc/79/25/10/782792510.db2.gz LLUQXRQIZCNLPE-VXGBXAGGSA-N 0 3 288.344 -1.399 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1COCCO1 ZINC001073543654 782792632 /nfs/dbraw/zinc/79/26/32/782792632.db2.gz LLUQXRQIZCNLPE-NEPJUHHUSA-N 0 3 288.344 -1.399 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@@H]1COCCO1 ZINC001073543656 782793177 /nfs/dbraw/zinc/79/31/77/782793177.db2.gz LLUQXRQIZCNLPE-RYUDHWBXSA-N 0 3 288.344 -1.399 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H]2CN(CCO)CCCO2)C1 ZINC001073585966 782793702 /nfs/dbraw/zinc/79/37/02/782793702.db2.gz WNLTVRLCRBHXKQ-ZDUSSCGKSA-N 0 3 299.371 -1.336 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@@H]1COC(=O)N1 ZINC001073588873 782794306 /nfs/dbraw/zinc/79/43/06/782794306.db2.gz GWAZGFJJWXFVMD-UWVGGRQHSA-N 0 3 287.316 -1.706 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1CNC(=O)N1 ZINC001073752491 782798749 /nfs/dbraw/zinc/79/87/49/782798749.db2.gz YIJLEQPEHLQUBA-ZJUUUORDSA-N 0 3 286.332 -2.133 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1CCC(=O)NC1 ZINC001073672866 782795647 /nfs/dbraw/zinc/79/56/47/782795647.db2.gz RBIRAKMDOOCTFK-VXGBXAGGSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1CCCC(=O)N1 ZINC001073652384 782795756 /nfs/dbraw/zinc/79/57/56/782795756.db2.gz XUQXANPNJJEBOZ-VXGBXAGGSA-N 0 3 299.371 -1.146 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1CCNC1=O ZINC001073729762 782795997 /nfs/dbraw/zinc/79/59/97/782795997.db2.gz WHPVAHCDSXCONW-GHMZBOCLSA-N 0 3 285.344 -1.678 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1CCCC(=O)N1 ZINC001073652383 782796425 /nfs/dbraw/zinc/79/64/25/782796425.db2.gz XUQXANPNJJEBOZ-NWDGAFQWSA-N 0 3 299.371 -1.146 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)c1cn[nH]c(=O)c1 ZINC001073649170 782796535 /nfs/dbraw/zinc/79/65/35/782796535.db2.gz NTPLMVDNMFBKEG-NSHDSACASA-N 0 3 296.327 -1.005 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1CCCNC1=O ZINC001073649521 782796748 /nfs/dbraw/zinc/79/67/48/782796748.db2.gz XKIVXTZHFLNENR-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@@H]1CN(CCCO)CCCO1)[C@H]1CCNC1=O ZINC001073729868 782796962 /nfs/dbraw/zinc/79/69/62/782796962.db2.gz ZBYPYRLTZBVPAW-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN COCCN1CCCO[C@@H](CNC(=O)[C@H]2CCNC2=O)C1 ZINC001073726552 782796992 /nfs/dbraw/zinc/79/69/92/782796992.db2.gz OHKNFOSKYHOUPX-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN O=C(NC[C@H]1CN(CCCO)CCCO1)[C@H]1CCNC1=O ZINC001073729870 782797014 /nfs/dbraw/zinc/79/70/14/782797014.db2.gz ZBYPYRLTZBVPAW-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1CCC(=O)NC1 ZINC001073672865 782797075 /nfs/dbraw/zinc/79/70/75/782797075.db2.gz RBIRAKMDOOCTFK-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001073740658 782797690 /nfs/dbraw/zinc/79/76/90/782797690.db2.gz HIXKGIOIWRFRAF-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073769585 782797754 /nfs/dbraw/zinc/79/77/54/782797754.db2.gz LEEFRJJUIUTFJI-MXWKQRLJSA-N 0 3 285.344 -1.693 20 0 CAADHN CCN1CCCO[C@@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001073798843 782797807 /nfs/dbraw/zinc/79/78/07/782797807.db2.gz SKANMOLMCDJHHV-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@@H]1CNC(=O)N1 ZINC001073752489 782798855 /nfs/dbraw/zinc/79/88/55/782798855.db2.gz YIJLEQPEHLQUBA-UWVGGRQHSA-N 0 3 286.332 -2.133 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)C1=O ZINC001073732825 782799096 /nfs/dbraw/zinc/79/90/96/782799096.db2.gz YKROXKMJGPVBTR-VXGBXAGGSA-N 0 3 299.371 -1.336 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@H]2CN(CCO)CCCO2)C1=O ZINC001073732824 782799109 /nfs/dbraw/zinc/79/91/09/782799109.db2.gz YKROXKMJGPVBTR-RYUDHWBXSA-N 0 3 299.371 -1.336 20 0 CAADHN CNC(=O)CN1CCCO[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001073824577 782799118 /nfs/dbraw/zinc/79/91/18/782799118.db2.gz UYSMQXZAKNSIBT-SECBINFHSA-N 0 3 296.331 -1.629 20 0 CAADHN CCN1CCCO[C@H](CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001073798844 782799138 /nfs/dbraw/zinc/79/91/38/782799138.db2.gz SKANMOLMCDJHHV-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN O=C(NC[C@H]1CN(CCCO)CCCO1)[C@@H]1CCC(=O)N1 ZINC001073863611 782800687 /nfs/dbraw/zinc/80/06/87/782800687.db2.gz WLYDKNIAUTZOPH-RYUDHWBXSA-N 0 3 299.371 -1.146 20 0 CAADHN O=C(NC[C@@H]1CN(CCCO)CCCO1)[C@@H]1CCC(=O)N1 ZINC001073863610 782800937 /nfs/dbraw/zinc/80/09/37/782800937.db2.gz WLYDKNIAUTZOPH-NEPJUHHUSA-N 0 3 299.371 -1.146 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)Cn1cnnn1 ZINC001074520713 782807505 /nfs/dbraw/zinc/80/75/05/782807505.db2.gz PIMIHBPJCJKJHT-LPEHRKFASA-N 0 3 293.331 -1.859 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001074600539 782808567 /nfs/dbraw/zinc/80/85/67/782808567.db2.gz ULKQBOSSAJYWOL-AEJSXWLSSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)Cn1ncnn1 ZINC001074654521 782808893 /nfs/dbraw/zinc/80/88/93/782808893.db2.gz VQYLNABBTJMLNR-LPEHRKFASA-N 0 3 293.331 -1.859 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CO[C@H]1CCOC1 ZINC001074650604 782809172 /nfs/dbraw/zinc/80/91/72/782809172.db2.gz NJAKNDMUSMEFGX-DCAQKATOSA-N 0 3 285.344 -1.144 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C)C(N)=O ZINC001074654512 782809300 /nfs/dbraw/zinc/80/93/00/782809300.db2.gz UXUFIQJOGLFAFD-CIUDSAMLSA-N 0 3 281.320 -1.874 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC001074563491 782809511 /nfs/dbraw/zinc/80/95/11/782809511.db2.gz KDZYMFWJFHOOAR-XHNCKOQMSA-N 0 3 268.317 -1.671 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CNC(=O)N1 ZINC001074844555 782813492 /nfs/dbraw/zinc/81/34/92/782813492.db2.gz KPVXZLDYJWMRQW-BIIVOSGPSA-N 0 3 269.305 -2.268 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CCCNC1=O ZINC001074697451 782810903 /nfs/dbraw/zinc/81/09/03/782810903.db2.gz MQTYWLCEFBCSFO-AEJSXWLSSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CCNC(=O)CC1 ZINC001074771375 782812174 /nfs/dbraw/zinc/81/21/74/782812174.db2.gz JABLNIHYNHTZNR-AXFHLTTASA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CCNC1=O ZINC001074794710 782812427 /nfs/dbraw/zinc/81/24/27/782812427.db2.gz OEOFLWIJAMNEKN-CIUDSAMLSA-N 0 3 268.317 -1.813 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001074888394 782812785 /nfs/dbraw/zinc/81/27/85/782812785.db2.gz YSMPFPBANXNNQT-VLEAKVRGSA-N 0 3 296.371 -1.048 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001074880583 782812903 /nfs/dbraw/zinc/81/29/03/782812903.db2.gz JUATZHIIBFKJEC-AATLWQCWSA-N 0 3 298.343 -1.916 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001074844556 782813002 /nfs/dbraw/zinc/81/30/02/782813002.db2.gz KPVXZLDYJWMRQW-FXQIFTODSA-N 0 3 269.305 -2.268 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001074885819 782813757 /nfs/dbraw/zinc/81/37/57/782813757.db2.gz YSIMKGSMVVFWJF-VLEAKVRGSA-N 0 3 296.371 -1.225 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(N)=O ZINC001074846089 782813803 /nfs/dbraw/zinc/81/38/03/782813803.db2.gz NBEAHEDOLDZQFY-RNJXMRFFSA-N 0 3 256.306 -1.685 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)c1nnn(C)n1 ZINC001074806740 782813875 /nfs/dbraw/zinc/81/38/75/782813875.db2.gz OXPIFGDZIRFGFJ-CIUDSAMLSA-N 0 3 293.331 -1.709 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C)C(N)=O ZINC001075092056 782814549 /nfs/dbraw/zinc/81/45/49/782814549.db2.gz VXEYOUQNJFREFU-GUBZILKMSA-N 0 3 280.332 -1.269 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001075028346 782814708 /nfs/dbraw/zinc/81/47/08/782814708.db2.gz HADQSEIBUAAAGX-DCAQKATOSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)Cn1cncn1 ZINC001075091892 782814831 /nfs/dbraw/zinc/81/48/31/782814831.db2.gz DTMGOMFHVXPQQL-DCAQKATOSA-N 0 3 292.343 -1.254 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CCn2cnnn2)[C@H]1C)C(N)=O ZINC001074989873 782814939 /nfs/dbraw/zinc/81/49/39/782814939.db2.gz FUZUEFLAIJNTJH-UTLUCORTSA-N 0 3 295.347 -1.484 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1C)C(N)=O ZINC001075053777 782815107 /nfs/dbraw/zinc/81/51/07/782815107.db2.gz TWQJNFZLHNRYEJ-XKNYDFJKSA-N 0 3 282.344 -1.282 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001075053535 782815238 /nfs/dbraw/zinc/81/52/38/782815238.db2.gz KDZYMFWJFHOOAR-CIUDSAMLSA-N 0 3 268.317 -1.671 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001075131722 782815349 /nfs/dbraw/zinc/81/53/49/782815349.db2.gz YCRSQGALENXYNM-AXFHLTTASA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)c1cnn(C)n1 ZINC001074967137 782815362 /nfs/dbraw/zinc/81/53/62/782815362.db2.gz WIPUNQBAZUWZNX-GUBZILKMSA-N 0 3 292.343 -1.104 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001074962373 782815420 /nfs/dbraw/zinc/81/54/20/782815420.db2.gz QLBJRVPIVHBCGO-AEJSXWLSSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@@H]1CC(=O)NC1=O ZINC001075154711 782815897 /nfs/dbraw/zinc/81/58/97/782815897.db2.gz KSVYQSOTOFMODA-CIUDSAMLSA-N 0 3 296.327 -1.897 20 0 CAADHN COC(=O)N(C)CCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000689583640 782817035 /nfs/dbraw/zinc/81/70/35/782817035.db2.gz CVSYZDMOPDJZPE-JTQLQIEISA-N 0 3 288.348 -1.100 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001098340973 782817158 /nfs/dbraw/zinc/81/71/58/782817158.db2.gz AWLNUZJFWRWKSQ-MXWKQRLJSA-N 0 3 265.317 -1.008 20 0 CAADHN Cn1nnc(C(=O)N[C@]23CCC[C@H]2CN(CCO)C3)n1 ZINC001098982439 782817509 /nfs/dbraw/zinc/81/75/09/782817509.db2.gz YULUXGIJNNQATR-CABZTGNLSA-N 0 3 280.332 -1.213 20 0 CAADHN COC(=O)N(C)CCNC(=O)C(=O)N1CCCNCC1 ZINC000689523767 782817750 /nfs/dbraw/zinc/81/77/50/782817750.db2.gz BFLIIJOPZYUVKH-UHFFFAOYSA-N 0 3 286.332 -1.377 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001098343563 782817999 /nfs/dbraw/zinc/81/79/99/782817999.db2.gz HPMSKPSYOWOGEX-BBBLOLIVSA-N 0 3 296.327 -1.748 20 0 CAADHN C[C@@H](O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C(F)(F)F ZINC001099300612 782820615 /nfs/dbraw/zinc/82/06/15/782820615.db2.gz OYOQNHDTCBWAGE-FSDSQADBSA-N 0 3 283.250 -1.169 20 0 CAADHN COCCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099608255 782820938 /nfs/dbraw/zinc/82/09/38/782820938.db2.gz ZCRICHPUXREUNS-MNOVXSKESA-N 0 3 260.334 -1.043 20 0 CAADHN COCCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099608256 782820986 /nfs/dbraw/zinc/82/09/86/782820986.db2.gz ZCRICHPUXREUNS-QWRGUYRKSA-N 0 3 260.334 -1.043 20 0 CAADHN COCCN1CC[C@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099631324 782823586 /nfs/dbraw/zinc/82/35/86/782823586.db2.gz VNTRCIUKACLRCE-WDEREUQCSA-N 0 3 273.333 -1.680 20 0 CAADHN COCCN1CC[C@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099631323 782823668 /nfs/dbraw/zinc/82/36/68/782823668.db2.gz VNTRCIUKACLRCE-QWRGUYRKSA-N 0 3 273.333 -1.680 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)CNC(C)=O)[C@H](O)C1 ZINC001099636213 782824952 /nfs/dbraw/zinc/82/49/52/782824952.db2.gz LGOLWFHWPORGMG-VXGBXAGGSA-N 0 3 287.360 -1.290 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001099645153 782825823 /nfs/dbraw/zinc/82/58/23/782825823.db2.gz MZCOVBLCXIHSNA-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099636210 782825983 /nfs/dbraw/zinc/82/59/83/782825983.db2.gz LGOLWFHWPORGMG-NEPJUHHUSA-N 0 3 287.360 -1.290 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)Cn2cnnn2)[C@H](O)C1 ZINC001099645152 782826001 /nfs/dbraw/zinc/82/60/01/782826001.db2.gz MZCOVBLCXIHSNA-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN O=C(CCn1cncn1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099677730 782827225 /nfs/dbraw/zinc/82/72/25/782827225.db2.gz AIUGEZQSMDAHKM-RYUDHWBXSA-N 0 3 297.359 -1.398 20 0 CAADHN O=C(CCn1cncn1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099677731 782827794 /nfs/dbraw/zinc/82/77/94/782827794.db2.gz AIUGEZQSMDAHKM-VXGBXAGGSA-N 0 3 297.359 -1.398 20 0 CAADHN NC(=O)NCC(=O)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001099665469 782828414 /nfs/dbraw/zinc/82/84/14/782828414.db2.gz HTYVKVGFBYZMIT-IUCAKERBSA-N 0 3 276.312 -1.434 20 0 CAADHN COC(=O)NCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099707674 782829269 /nfs/dbraw/zinc/82/92/69/782829269.db2.gz VVSHWOMXVRKTFZ-ZJUUUORDSA-N 0 3 289.332 -1.724 20 0 CAADHN COCCOCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099747484 782831351 /nfs/dbraw/zinc/83/13/51/782831351.db2.gz YZWKOXFYCOCXTJ-NWDGAFQWSA-N 0 3 290.360 -1.417 20 0 CAADHN COCCOCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099747482 782831948 /nfs/dbraw/zinc/83/19/48/782831948.db2.gz YZWKOXFYCOCXTJ-NEPJUHHUSA-N 0 3 290.360 -1.417 20 0 CAADHN COCCN1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758779 782832856 /nfs/dbraw/zinc/83/28/56/782832856.db2.gz XZEKAZNBXIYKKB-IUCAKERBSA-N 0 3 259.306 -1.940 20 0 CAADHN NC(=O)CC(=O)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001099758119 782833660 /nfs/dbraw/zinc/83/36/60/782833660.db2.gz OPEYKRDERBNNRJ-DTWKUNHWSA-N 0 3 261.297 -1.227 20 0 CAADHN CC(C)OCCN1CC[C@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099760831 782834674 /nfs/dbraw/zinc/83/46/74/782834674.db2.gz OTAIAMOFLZIORJ-QWRGUYRKSA-N 0 3 287.360 -1.162 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001099844314 782840206 /nfs/dbraw/zinc/84/02/06/782840206.db2.gz FRNPGIZRGTUNCA-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099797473 782836849 /nfs/dbraw/zinc/83/68/49/782836849.db2.gz UTOJEGCNBXIEEJ-MNOVXSKESA-N 0 3 287.360 -1.554 20 0 CAADHN O=C(CCn1ccnn1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099802589 782837047 /nfs/dbraw/zinc/83/70/47/782837047.db2.gz YFLSUCYKPALLOG-NWDGAFQWSA-N 0 3 297.359 -1.398 20 0 CAADHN CNC(=O)CC(=O)N[C@H]1CCN(CCOC)C[C@@H]1O ZINC001099791807 782837165 /nfs/dbraw/zinc/83/71/65/782837165.db2.gz LAOSDVYOAWOUHJ-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN CCN1CC[C@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099813307 782840495 /nfs/dbraw/zinc/84/04/95/782840495.db2.gz NCVCOISTKHHTME-UWVGGRQHSA-N 0 3 272.349 -1.123 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099791741 782837357 /nfs/dbraw/zinc/83/73/57/782837357.db2.gz JZQCUOCCAJCYRI-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099799837 782837422 /nfs/dbraw/zinc/83/74/22/782837422.db2.gz STGLKVATXOKCMK-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN O=C(CCn1ccnn1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099802590 782837591 /nfs/dbraw/zinc/83/75/91/782837591.db2.gz YFLSUCYKPALLOG-RYUDHWBXSA-N 0 3 297.359 -1.398 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099792446 782837922 /nfs/dbraw/zinc/83/79/22/782837922.db2.gz VENVWQHESRKTHN-NXEZZACHSA-N 0 3 273.333 -1.944 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CCN(CCOC)C[C@H]1O ZINC001099791806 782837989 /nfs/dbraw/zinc/83/79/89/782837989.db2.gz LAOSDVYOAWOUHJ-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN CNC(=O)CC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099792447 782838102 /nfs/dbraw/zinc/83/81/02/782838102.db2.gz VENVWQHESRKTHN-UWVGGRQHSA-N 0 3 273.333 -1.944 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)CC(=O)NC)[C@H](O)C1 ZINC001099791738 782838336 /nfs/dbraw/zinc/83/83/36/782838336.db2.gz JZQCUOCCAJCYRI-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001099844317 782839145 /nfs/dbraw/zinc/83/91/45/782839145.db2.gz FRNPGIZRGTUNCA-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN CCN1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@H](O)C1 ZINC001099832170 782839292 /nfs/dbraw/zinc/83/92/92/782839292.db2.gz CLFRWBPAZPGCAR-VHSXEESVSA-N 0 3 293.389 -1.503 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCN(CCOC)C[C@@H]1O ZINC001099863811 782840924 /nfs/dbraw/zinc/84/09/24/782840924.db2.gz OJAXWGDJBUABOP-ZJUUUORDSA-N 0 3 288.348 -1.887 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](O)C1 ZINC001099860560 782841011 /nfs/dbraw/zinc/84/10/11/782841011.db2.gz DQXGHVBNZXIBGJ-NXEZZACHSA-N 0 3 293.389 -1.551 20 0 CAADHN O=C(CCc1c[nH]cn1)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001099872484 782841423 /nfs/dbraw/zinc/84/14/23/782841423.db2.gz UZFWFDRJSXWFRB-NEPJUHHUSA-N 0 3 282.344 -1.114 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001099858818 782841545 /nfs/dbraw/zinc/84/15/45/782841545.db2.gz RQQDRUWLADHXCN-NXEZZACHSA-N 0 3 290.339 -1.174 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001099858821 782841645 /nfs/dbraw/zinc/84/16/45/782841645.db2.gz RQQDRUWLADHXCN-ZJUUUORDSA-N 0 3 290.339 -1.174 20 0 CAADHN CN(C)C1(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@H]2O)CCC1 ZINC001099871688 782841662 /nfs/dbraw/zinc/84/16/62/782841662.db2.gz JGUYKBCHXSGAGO-GHMZBOCLSA-N 0 3 298.387 -1.493 20 0 CAADHN CCN1CC[C@@H](NC(=O)CNC(=O)NC)[C@H](O)C1 ZINC001099864791 782841719 /nfs/dbraw/zinc/84/17/19/782841719.db2.gz VELNTRUBAFRVMD-RKDXNWHRSA-N 0 3 258.322 -1.513 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001099860563 782841754 /nfs/dbraw/zinc/84/17/54/782841754.db2.gz DQXGHVBNZXIBGJ-ZJUUUORDSA-N 0 3 293.389 -1.551 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099863429 782841870 /nfs/dbraw/zinc/84/18/70/782841870.db2.gz LUTAIOGMYIXQJL-UWVGGRQHSA-N 0 3 288.348 -2.151 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001099858820 782842054 /nfs/dbraw/zinc/84/20/54/782842054.db2.gz RQQDRUWLADHXCN-VHSXEESVSA-N 0 3 290.339 -1.174 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCN(CCOC)C[C@H]1O ZINC001099863810 782842187 /nfs/dbraw/zinc/84/21/87/782842187.db2.gz OJAXWGDJBUABOP-VHSXEESVSA-N 0 3 288.348 -1.887 20 0 CAADHN CCN1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099901179 782843072 /nfs/dbraw/zinc/84/30/72/782843072.db2.gz FDILKSNAQXYHRH-JGVFFNPUSA-N 0 3 279.287 -1.061 20 0 CAADHN CCN1CC[C@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099901181 782843253 /nfs/dbraw/zinc/84/32/53/782843253.db2.gz FDILKSNAQXYHRH-YUMQZZPRSA-N 0 3 279.287 -1.061 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099888242 782843359 /nfs/dbraw/zinc/84/33/59/782843359.db2.gz RCJXAONGFDHURS-NXEZZACHSA-N 0 3 287.360 -1.568 20 0 CAADHN CCN1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@H](O)C1 ZINC001099901178 782843427 /nfs/dbraw/zinc/84/34/27/782843427.db2.gz FDILKSNAQXYHRH-HTQZYQBOSA-N 0 3 279.287 -1.061 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099888244 782844079 /nfs/dbraw/zinc/84/40/79/782844079.db2.gz RCJXAONGFDHURS-VHSXEESVSA-N 0 3 287.360 -1.568 20 0 CAADHN CCN1CC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001099936698 782844352 /nfs/dbraw/zinc/84/43/52/782844352.db2.gz CNAUEYMEWFLEAR-BDAKNGLRSA-N 0 3 294.377 -2.389 20 0 CAADHN CC(C)OCCN1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099974197 782844395 /nfs/dbraw/zinc/84/43/95/782844395.db2.gz OFLHGEUGBXLMBZ-NXEZZACHSA-N 0 3 273.333 -1.552 20 0 CAADHN CCN1CC[C@H](NC(=O)CNS(=O)(=O)NC)[C@@H](O)C1 ZINC001099936700 782844411 /nfs/dbraw/zinc/84/44/11/782844411.db2.gz CNAUEYMEWFLEAR-IUCAKERBSA-N 0 3 294.377 -2.389 20 0 CAADHN Cn1ccnc1CCC(=O)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001099928440 782844437 /nfs/dbraw/zinc/84/44/37/782844437.db2.gz KSBBAZDTFQYKHT-RYUDHWBXSA-N 0 3 296.371 -1.104 20 0 CAADHN CCCCOCCN1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973277 782844508 /nfs/dbraw/zinc/84/45/08/782844508.db2.gz APZLAWRKDIREJD-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN Cn1ccnc1CCC(=O)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001099928438 782844881 /nfs/dbraw/zinc/84/48/81/782844881.db2.gz KSBBAZDTFQYKHT-NEPJUHHUSA-N 0 3 296.371 -1.104 20 0 CAADHN Cn1ccnc1CCC(=O)N[C@H]1CCN(CCO)C[C@H]1O ZINC001099928439 782844913 /nfs/dbraw/zinc/84/49/13/782844913.db2.gz KSBBAZDTFQYKHT-NWDGAFQWSA-N 0 3 296.371 -1.104 20 0 CAADHN CC(C)OCCN1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099974199 782845562 /nfs/dbraw/zinc/84/55/62/782845562.db2.gz OFLHGEUGBXLMBZ-VHSXEESVSA-N 0 3 273.333 -1.552 20 0 CAADHN CC(C)OCCN1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099974200 782845777 /nfs/dbraw/zinc/84/57/77/782845777.db2.gz OFLHGEUGBXLMBZ-ZJUUUORDSA-N 0 3 273.333 -1.552 20 0 CAADHN O=C(CCn1ccnc1)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001099940345 782846062 /nfs/dbraw/zinc/84/60/62/782846062.db2.gz UAJOWRHPNLHKPU-NEPJUHHUSA-N 0 3 282.344 -1.183 20 0 CAADHN CCN1CC[C@H](NC(=O)CCn2ncn(C)c2=O)[C@H](O)C1 ZINC001099936018 782846188 /nfs/dbraw/zinc/84/61/88/782846188.db2.gz YJIWIZDNSXHVLR-WDEREUQCSA-N 0 3 297.359 -1.457 20 0 CAADHN CCN1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980395 782846601 /nfs/dbraw/zinc/84/66/01/782846601.db2.gz HFAHCUOIUDOJRL-VHSXEESVSA-N 0 3 293.389 -1.374 20 0 CAADHN CCN1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046866 782848252 /nfs/dbraw/zinc/84/82/52/782848252.db2.gz TZEXKRJKMMPETP-VHSXEESVSA-N 0 3 268.321 -1.366 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100046864 782848544 /nfs/dbraw/zinc/84/85/44/782848544.db2.gz TZEXKRJKMMPETP-NXEZZACHSA-N 0 3 268.321 -1.366 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100056103 782848759 /nfs/dbraw/zinc/84/87/59/782848759.db2.gz OTSCZXNPCDOYSQ-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100045887 782849113 /nfs/dbraw/zinc/84/91/13/782849113.db2.gz FYUDYSKRVHPLBY-QWRGUYRKSA-N 0 3 298.347 -1.739 20 0 CAADHN CN(C)C(=O)CC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001100029184 782849258 /nfs/dbraw/zinc/84/92/58/782849258.db2.gz KEZKDJNDXDMBMZ-QWRGUYRKSA-N 0 3 287.360 -1.602 20 0 CAADHN CCN(CC)CC(=O)N[C@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001100048522 782849429 /nfs/dbraw/zinc/84/94/29/782849429.db2.gz MXVFEHVNYRQDFA-QWRGUYRKSA-N 0 3 286.376 -1.635 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100045885 782849529 /nfs/dbraw/zinc/84/95/29/782849529.db2.gz FYUDYSKRVHPLBY-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CC(=O)N(C)C)[C@H](O)C1 ZINC001100030265 782849916 /nfs/dbraw/zinc/84/99/16/782849916.db2.gz WRPCYGUZBJLQAC-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001100082942 782850877 /nfs/dbraw/zinc/85/08/77/782850877.db2.gz KPJSEQMPRQNKRP-QWRGUYRKSA-N 0 3 286.376 -1.635 20 0 CAADHN CCN1CC[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001100058495 782851064 /nfs/dbraw/zinc/85/10/64/782851064.db2.gz UKEJWUNZZJNPDL-MNOVXSKESA-N 0 3 297.359 -1.097 20 0 CAADHN CCN1CC[C@@H](NC(=O)COCc2nncn2C)[C@H](O)C1 ZINC001100058494 782851280 /nfs/dbraw/zinc/85/12/80/782851280.db2.gz UKEJWUNZZJNPDL-GHMZBOCLSA-N 0 3 297.359 -1.097 20 0 CAADHN CCN1CC[C@@H](NC(=O)COCc2ncnn2C)[C@H](O)C1 ZINC001100058690 782852258 /nfs/dbraw/zinc/85/22/58/782852258.db2.gz YBRSXKLOUOMHBC-GHMZBOCLSA-N 0 3 297.359 -1.097 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCCC(N)=O)[C@@H](O)C1 ZINC001100143225 782852779 /nfs/dbraw/zinc/85/27/79/782852779.db2.gz QDINYAGRDQBBSB-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN NC(=O)CCCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001100143057 782852838 /nfs/dbraw/zinc/85/28/38/782852838.db2.gz NHGCNJOIUOOUAZ-MNOVXSKESA-N 0 3 287.360 -1.424 20 0 CAADHN CCOC(=O)N1CC[C@@H](NC(CO)(CO)CO)C1 ZINC001256014222 782853666 /nfs/dbraw/zinc/85/36/66/782853666.db2.gz MNFKOBZFJUJGRQ-SECBINFHSA-N 0 3 262.306 -1.478 20 0 CAADHN CNC(=O)C[NH2+]C1CC(CNC(=O)CCc2nnc[n-]2)C1 ZINC001100226555 782854588 /nfs/dbraw/zinc/85/45/88/782854588.db2.gz FTSBXJKOGZUVHH-UHFFFAOYSA-N 0 3 294.359 -1.032 20 0 CAADHN Cn1nncc1CNC1CC(CNC(=O)CC(N)=O)C1 ZINC001100209138 782854924 /nfs/dbraw/zinc/85/49/24/782854924.db2.gz VLKGTKWHFCFNOF-UHFFFAOYSA-N 0 3 280.332 -1.325 20 0 CAADHN NC(=O)C[NH2+]C1CC(CNC(=O)CCc2nnc[n-]2)C1 ZINC001100226789 782855100 /nfs/dbraw/zinc/85/51/00/782855100.db2.gz RCYMDOWPBVDKMR-UHFFFAOYSA-N 0 3 280.332 -1.293 20 0 CAADHN Cn1nccc1CNC1CC(CNC(=O)C(N)=O)C1 ZINC001100627110 782859548 /nfs/dbraw/zinc/85/95/48/782859548.db2.gz UYDYONARKQQEPO-UHFFFAOYSA-N 0 3 265.317 -1.110 20 0 CAADHN NC(=O)C(=O)NCC1CC(NCC(=O)Nc2ccon2)C1 ZINC001100628266 782860320 /nfs/dbraw/zinc/86/03/20/782860320.db2.gz BGHMQQAJIZORHT-UHFFFAOYSA-N 0 3 295.299 -1.417 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711671 782865377 /nfs/dbraw/zinc/86/53/77/782865377.db2.gz BRGJFDQOWAOLGE-BBBLOLIVSA-N 0 3 299.375 -1.397 20 0 CAADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)CNC(N)=O ZINC001101710897 782866881 /nfs/dbraw/zinc/86/68/81/782866881.db2.gz CDMGPXYVXBUODM-NXEZZACHSA-N 0 3 299.375 -1.573 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711672 782866309 /nfs/dbraw/zinc/86/63/09/782866309.db2.gz BRGJFDQOWAOLGE-OPRDCNLKSA-N 0 3 299.375 -1.397 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CNC(C)=O)[C@H](C)C1 ZINC001101684595 782866549 /nfs/dbraw/zinc/86/65/49/782866549.db2.gz LLDKSDMCBFWECK-JFGNBEQYSA-N 0 3 298.387 -1.059 20 0 CAADHN C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711288 782866996 /nfs/dbraw/zinc/86/69/96/782866996.db2.gz VBIMUNQYWPPASV-BBBLOLIVSA-N 0 3 297.359 -1.773 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)Cn2ncnn2)[C@H](C)C1 ZINC001101976574 782867195 /nfs/dbraw/zinc/86/71/95/782867195.db2.gz IJZNJEFXIVCNBR-OPRDCNLKSA-N 0 3 295.347 -1.769 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101839949 782867294 /nfs/dbraw/zinc/86/72/94/782867294.db2.gz MRXCADQCKICOBB-OPRDCNLKSA-N 0 3 284.360 -1.190 20 0 CAADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)CC(N)=O ZINC001101838611 782868353 /nfs/dbraw/zinc/86/83/53/782868353.db2.gz KZMHZUATDNHNEK-NXEZZACHSA-N 0 3 284.360 -1.366 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101837806 782868491 /nfs/dbraw/zinc/86/84/91/782868491.db2.gz NUDPIRNKPAPDSN-IWSPIJDZSA-N 0 3 270.333 -1.580 20 0 CAADHN CNC(=O)CC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1C ZINC001101908295 782868678 /nfs/dbraw/zinc/86/86/78/782868678.db2.gz NGQFKHXSBDMPIG-MXWKQRLJSA-N 0 3 296.371 -1.305 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101839948 782868737 /nfs/dbraw/zinc/86/87/37/782868737.db2.gz MRXCADQCKICOBB-BBBLOLIVSA-N 0 3 284.360 -1.190 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)Cn2cncn2)[C@H](C)C1 ZINC001102556480 782873034 /nfs/dbraw/zinc/87/30/34/782873034.db2.gz BDQMJBFQIMCZHH-GMTAPVOTSA-N 0 3 294.359 -1.164 20 0 CAADHN C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)C(N)=O ZINC001102310435 782873063 /nfs/dbraw/zinc/87/30/63/782873063.db2.gz WHOHXUUMGRFDAY-HLTSFMKQSA-N 0 3 268.317 -1.956 20 0 CAADHN C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1CNC(=O)C(N)=O ZINC001102304554 782869237 /nfs/dbraw/zinc/86/92/37/782869237.db2.gz MITCZQZNRNZHLG-BBBLOLIVSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(CC(=O)N(C)C2CC2)C[C@H]1CNC(=O)C(N)=O ZINC001102301050 782869553 /nfs/dbraw/zinc/86/95/53/782869553.db2.gz NDCJUDCLJGDHLJ-NXEZZACHSA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)NCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001103058864 782873097 /nfs/dbraw/zinc/87/30/97/782873097.db2.gz MZYNZHPORBQHAL-NXEZZACHSA-N 0 3 299.375 -1.525 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)Cn2nccn2)[C@H](C)C1 ZINC001102004864 782870009 /nfs/dbraw/zinc/87/00/09/782870009.db2.gz IAHFBJCFWULEGS-OUAUKWLOSA-N 0 3 294.359 -1.164 20 0 CAADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CC(N)=O)C1 ZINC001102801949 782873131 /nfs/dbraw/zinc/87/31/31/782873131.db2.gz MIFYTUWXBARPCD-NXEZZACHSA-N 0 3 284.360 -1.318 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CNC(=O)Cc1nc[nH]n1 ZINC001102506414 782873169 /nfs/dbraw/zinc/87/31/69/782873169.db2.gz KNUNEWCEMVQCOK-RKDXNWHRSA-N 0 3 280.332 -1.483 20 0 CAADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)C(N)=O ZINC001102309297 782871076 /nfs/dbraw/zinc/87/10/76/782871076.db2.gz SQNKDUARXOQZKS-NXEZZACHSA-N 0 3 282.344 -1.612 20 0 CAADHN CCN1CC[C@@H](N2C[C@@H](CNC(=O)C(N)=O)[C@H](C)C2)C1=O ZINC001102306169 782871158 /nfs/dbraw/zinc/87/11/58/782871158.db2.gz JSGRSRNXHRNLEZ-GMTAPVOTSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CCNC(N)=O)[C@H](C)C1 ZINC001102561420 782871757 /nfs/dbraw/zinc/87/17/57/782871757.db2.gz FKLJKBKOSDHRIX-KXUCPTDWSA-N 0 3 299.375 -1.397 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)Cn1nccn1 ZINC001103035676 782871804 /nfs/dbraw/zinc/87/18/04/782871804.db2.gz SMULHBOTTJXBHT-GHMZBOCLSA-N 0 3 294.359 -1.162 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CNC(=O)CCc1cn[nH]n1 ZINC001102383826 782872074 /nfs/dbraw/zinc/87/20/74/782872074.db2.gz UPFYQKPWEYKLGM-NXEZZACHSA-N 0 3 294.359 -1.093 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1ncn(C)n1 ZINC001102945703 782872295 /nfs/dbraw/zinc/87/22/95/782872295.db2.gz FCAQYQWVBPFVMO-NXEZZACHSA-N 0 3 294.359 -1.012 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)c1cn(C)nn1 ZINC001102943797 782873263 /nfs/dbraw/zinc/87/32/63/782873263.db2.gz IUZBGQDXERJRQM-NXEZZACHSA-N 0 3 294.359 -1.012 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CNC(N)=O ZINC001102655302 782872812 /nfs/dbraw/zinc/87/28/12/782872812.db2.gz ZYDIWXXWNGAHFV-RKDXNWHRSA-N 0 3 285.348 -1.786 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1COCCO1 ZINC001102684921 782872825 /nfs/dbraw/zinc/87/28/25/782872825.db2.gz OKQYZVRQQZFQEE-UTUOFQBUSA-N 0 3 299.371 -1.039 20 0 CAADHN CC(=O)NCC(=O)NCC[C@@H]1CN(CC(N)=O)C[C@H]1C ZINC001102640157 782872877 /nfs/dbraw/zinc/87/28/77/782872877.db2.gz FRPBVDRAAIYXQG-MWLCHTKSSA-N 0 3 284.360 -1.318 20 0 CAADHN C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)Cc1nnc[n-]1 ZINC001103629337 782873837 /nfs/dbraw/zinc/87/38/37/782873837.db2.gz GKGMWOOFGMOATP-NXEZZACHSA-N 0 3 294.359 -1.093 20 0 CAADHN C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)Cc1nnc[n-]1 ZINC001103629337 782873844 /nfs/dbraw/zinc/87/38/44/782873844.db2.gz GKGMWOOFGMOATP-NXEZZACHSA-N 0 3 294.359 -1.093 20 0 CAADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103390319 782874643 /nfs/dbraw/zinc/87/46/43/782874643.db2.gz OTFLWIZYVPUZFR-RKDXNWHRSA-N 0 3 270.333 -1.708 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CCNC1=O ZINC001103316547 782874775 /nfs/dbraw/zinc/87/47/75/782874775.db2.gz IWIWBDUSCJBYKR-GMTAPVOTSA-N 0 3 296.371 -1.318 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001103658176 782875153 /nfs/dbraw/zinc/87/51/53/782875153.db2.gz YODRZATTYKXYCM-MXWKQRLJSA-N 0 3 296.371 -1.176 20 0 CAADHN CCCNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC001114989103 782877433 /nfs/dbraw/zinc/87/74/33/782877433.db2.gz OJIDDEUUSUALMR-JZYVYDRUSA-N 0 3 292.343 -1.009 20 0 CAADHN NC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC001112045841 782877833 /nfs/dbraw/zinc/87/78/33/782877833.db2.gz PQQNTJDPCUTFSX-RNFRBKRXSA-N 0 3 298.265 -1.374 20 0 CAADHN Cn1cnnc1COCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115055591 782878671 /nfs/dbraw/zinc/87/86/71/782878671.db2.gz JRXWIODAJXDQMG-IWIIMEHWSA-N 0 3 295.343 -1.630 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCC1 ZINC001115158308 782879578 /nfs/dbraw/zinc/87/95/78/782879578.db2.gz RKONWIARSGAAKC-URLYPYJESA-N 0 3 281.356 -1.059 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001115208952 782879613 /nfs/dbraw/zinc/87/96/13/782879613.db2.gz NBRFUWVCDOLMAZ-PJXYFTJBSA-N 0 3 295.343 -1.667 20 0 CAADHN C[C@H](C(=O)NC[C@@H]1CN(C)CCN1C)N1CCN(C)CC1 ZINC001116046369 782886141 /nfs/dbraw/zinc/88/61/41/782886141.db2.gz GHQINSOVTZVGJQ-ZIAGYGMSSA-N 0 3 297.447 -1.016 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001115303352 782881673 /nfs/dbraw/zinc/88/16/73/782881673.db2.gz BKPXXPUJUOWAFF-IWIIMEHWSA-N 0 3 268.361 -1.142 20 0 CAADHN NC(=O)CCCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001115348184 782881691 /nfs/dbraw/zinc/88/16/91/782881691.db2.gz MTVXFKGYBHGZJW-YABSGUDNSA-N 0 3 299.371 -1.303 20 0 CAADHN C[C@H](CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)N(C)C ZINC001116525345 782901328 /nfs/dbraw/zinc/90/13/28/782901328.db2.gz IGDIUFSIBUKIOZ-HTQZYQBOSA-N 0 3 294.377 -2.154 20 0 CAADHN NS(=O)(=O)NC[C@@H]1CCCN(CCOCCO)C1 ZINC001116596215 782903496 /nfs/dbraw/zinc/90/34/96/782903496.db2.gz NXAXQHGBXUNVOK-JTQLQIEISA-N 0 3 281.378 -1.500 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCCN2C(=O)CNC2=O)C1 ZINC001116616505 782903897 /nfs/dbraw/zinc/90/38/97/782903897.db2.gz MLIPVQVVVGZYLV-GFCCVEGCSA-N 0 3 299.331 -2.096 20 0 CAADHN C[C@@H](CCN1CCN(C)CC1)NC(=S)NCC(N)=O ZINC001116625680 782904952 /nfs/dbraw/zinc/90/49/52/782904952.db2.gz NTGIFXJRVTWZBK-JTQLQIEISA-N 0 3 287.433 -1.038 20 0 CAADHN Cn1cc([C@H](CO)NCCCN2C(=O)CNC2=O)cn1 ZINC001116671069 782905848 /nfs/dbraw/zinc/90/58/48/782905848.db2.gz XWJCJWABWYCNRP-JTQLQIEISA-N 0 3 281.316 -1.015 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)Cn1cnnn1 ZINC001266255510 775101826 /nfs/dbraw/zinc/10/18/26/775101826.db2.gz ULIYLPROWOZLHM-SECBINFHSA-N 0 3 256.310 -1.244 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC000969229568 775105700 /nfs/dbraw/zinc/10/57/00/775105700.db2.gz GPYRGHDHJMNQEP-MRVPVSSYSA-N 0 3 295.299 -2.375 20 0 CAADHN NC(=O)[C@@H]1CN(c2cc3c(nn2)CCNC3)CCO1 ZINC001167075183 775108346 /nfs/dbraw/zinc/10/83/46/775108346.db2.gz QZQSUTBRIIVIEY-JTQLQIEISA-N 0 3 263.301 -1.187 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001125295837 775108357 /nfs/dbraw/zinc/10/83/57/775108357.db2.gz DLWVYZCHWDTBCT-SSDOTTSWSA-N 0 3 252.274 -1.020 20 0 CAADHN CN(CCNC(=O)[C@H]1CCC(=O)NC1)CCOCCO ZINC001266290979 775109180 /nfs/dbraw/zinc/10/91/80/775109180.db2.gz QVHYKGUCKSLYFX-NSHDSACASA-N 0 3 287.360 -1.431 20 0 CAADHN O=C(NCCN1CCN(CCO)CC1)c1nnc[nH]1 ZINC001266295150 775110118 /nfs/dbraw/zinc/11/01/18/775110118.db2.gz XANGYTUFWMKPIU-UHFFFAOYSA-N 0 3 268.321 -1.856 20 0 CAADHN Cc1nn[nH]c1C(=O)NCCN(C)CCOCCO ZINC001266306543 775112802 /nfs/dbraw/zinc/11/28/02/775112802.db2.gz WAZYOYONFQTEGJ-UHFFFAOYSA-N 0 3 271.321 -1.216 20 0 CAADHN C[C@@H](CNC(=O)C1(C(N)=O)CC1)N(C)CCn1cncn1 ZINC001282450331 775115313 /nfs/dbraw/zinc/11/53/13/775115313.db2.gz STYDJTWZVVOKGH-JTQLQIEISA-N 0 3 294.359 -1.020 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@]1(C)CCNC1=O ZINC001266326794 775115365 /nfs/dbraw/zinc/11/53/65/775115365.db2.gz LTPNYTOTQKPJRL-MFKMUULPSA-N 0 3 287.360 -1.432 20 0 CAADHN CN(CCO)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001266326626 775115616 /nfs/dbraw/zinc/11/56/16/775115616.db2.gz GKCDXQKXYILDRK-UHFFFAOYSA-N 0 3 254.290 -1.233 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@]1(C)CCNC1=O ZINC001266326793 775115867 /nfs/dbraw/zinc/11/58/67/775115867.db2.gz LTPNYTOTQKPJRL-GXFFZTMASA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@H](CNC(=O)C1(C(N)=O)CC1)N(C)CCn1cncn1 ZINC001282450332 775116233 /nfs/dbraw/zinc/11/62/33/775116233.db2.gz STYDJTWZVVOKGH-SNVBAGLBSA-N 0 3 294.359 -1.020 20 0 CAADHN C[C@H](NCCNC(=O)c1cccc(=O)[nH]1)C(=O)NC(N)=O ZINC001125308683 775116904 /nfs/dbraw/zinc/11/69/04/775116904.db2.gz KRTFMLPHEMHYNL-ZETCQYMHSA-N 0 3 295.299 -1.310 20 0 CAADHN OC[C@@H]1CN(C[C@@H](O)CN2CCOCC2)CC[C@H]1O ZINC000396799241 775117023 /nfs/dbraw/zinc/11/70/23/775117023.db2.gz JLFFOGCUMOGYCB-RWMBFGLXSA-N 0 3 274.361 -1.645 20 0 CAADHN OC[C@@H]1CN(C[C@H](O)CN2CCOCC2)CC[C@@H]1O ZINC000396799242 775117197 /nfs/dbraw/zinc/11/71/97/775117197.db2.gz JLFFOGCUMOGYCB-XQQFMLRXSA-N 0 3 274.361 -1.645 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001266338047 775117241 /nfs/dbraw/zinc/11/72/41/775117241.db2.gz VQHWAEXTIDDWMC-MRVPVSSYSA-N 0 3 271.317 -1.532 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccc(=O)[nH]1)C(=O)NC(N)=O ZINC001125308682 775117322 /nfs/dbraw/zinc/11/73/22/775117322.db2.gz KRTFMLPHEMHYNL-SSDOTTSWSA-N 0 3 295.299 -1.310 20 0 CAADHN CN(CCNC(=O)c1nnc[nH]1)CCn1cncn1 ZINC001266340174 775119363 /nfs/dbraw/zinc/11/93/63/775119363.db2.gz MVQZBPUUMGRFMN-UHFFFAOYSA-N 0 3 264.293 -1.242 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209040206 775120018 /nfs/dbraw/zinc/12/00/18/775120018.db2.gz ROKHLNZDRDRCQT-QMMMGPOBSA-N 0 3 281.320 -1.850 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001266359591 775122940 /nfs/dbraw/zinc/12/29/40/775122940.db2.gz YYGNYILUCOTOGI-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN CN(CCCO)CCNC(=O)CN1C(=O)CCC1=O ZINC001266358497 775123295 /nfs/dbraw/zinc/12/32/95/775123295.db2.gz SZRHWNSHWTWGHC-UHFFFAOYSA-N 0 3 271.317 -1.434 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001266359594 775123437 /nfs/dbraw/zinc/12/34/37/775123437.db2.gz YYGNYILUCOTOGI-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN COCCN1CC[C@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001266359592 775123910 /nfs/dbraw/zinc/12/39/10/775123910.db2.gz YYGNYILUCOTOGI-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN CCOCCN(C)CCNC(=O)CN1C(=O)CNC1=O ZINC001266357362 775124040 /nfs/dbraw/zinc/12/40/40/775124040.db2.gz VUFDGRGVBLJPIU-UHFFFAOYSA-N 0 3 286.332 -1.377 20 0 CAADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2C[C@H](O)[C@H](CO)C2)O1 ZINC001209271956 775125033 /nfs/dbraw/zinc/12/50/33/775125033.db2.gz ZUGYEIYRSFYMRR-HHHUOAJASA-N 0 3 291.344 -1.855 20 0 CAADHN CS(=O)(=O)NCCN[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209364749 775125915 /nfs/dbraw/zinc/12/59/15/775125915.db2.gz FQSZLOBDLPGNAR-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN CC(C)C(=O)N(C)CCOCCNCC(=O)NC(N)=O ZINC001279383687 775126534 /nfs/dbraw/zinc/12/65/34/775126534.db2.gz XMDKKRYLCBHWID-UHFFFAOYSA-N 0 3 288.348 -1.098 20 0 CAADHN CCN(CCNC(=O)C[C@@H]1NC(=O)NC1=O)CCOC ZINC001266394203 775127490 /nfs/dbraw/zinc/12/74/90/775127490.db2.gz KTXCSJAVBUIDJP-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CCN(CCNC(=O)[C@@H]1CCNC1=O)CCn1cncn1 ZINC001266408787 775128692 /nfs/dbraw/zinc/12/86/92/775128692.db2.gz SYJPOKFWBRCHMB-LLVKDONJSA-N 0 3 294.359 -1.148 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001266403956 775128763 /nfs/dbraw/zinc/12/87/63/775128763.db2.gz GIOQLNJPYJKUEH-GHMZBOCLSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001266425850 775129808 /nfs/dbraw/zinc/12/98/08/775129808.db2.gz CAAAWLJUOZCMRP-SVRRBLITSA-N 0 3 256.306 -1.909 20 0 CAADHN CN(CC1CC1)C(=O)CN[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001266426213 775130079 /nfs/dbraw/zinc/13/00/79/775130079.db2.gz HZWLMKMVWVOTNV-LLVKDONJSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](COC)OC)C1 ZINC001209543425 775130154 /nfs/dbraw/zinc/13/01/54/775130154.db2.gz MGPVYFATAHNGML-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)C(=O)NC[C@@H](NCC(=O)N1CCC1)C1CC1 ZINC001266426194 775130203 /nfs/dbraw/zinc/13/02/03/775130203.db2.gz HPSSOFSXJMZYEI-SECBINFHSA-N 0 3 268.317 -1.812 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001266425851 775130344 /nfs/dbraw/zinc/13/03/44/775130344.db2.gz CAAAWLJUOZCMRP-XPUUQOCRSA-N 0 3 256.306 -1.909 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](COC)OC)C1 ZINC001209543424 775130491 /nfs/dbraw/zinc/13/04/91/775130491.db2.gz MGPVYFATAHNGML-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC001206918294 775131742 /nfs/dbraw/zinc/13/17/42/775131742.db2.gz UDOQXBNYOKPRAN-GMTAPVOTSA-N 0 3 297.359 -1.128 20 0 CAADHN Cc1ncoc1C(=O)NCCNCCNS(C)(=O)=O ZINC001125326242 775132653 /nfs/dbraw/zinc/13/26/53/775132653.db2.gz RRFSCZILMLQUBV-UHFFFAOYSA-N 0 3 290.345 -1.148 20 0 CAADHN COC[C@H](O)CN1CCC[C@H]1CNC(=O)C1(C(N)=O)CC1 ZINC001266480424 775134772 /nfs/dbraw/zinc/13/47/72/775134772.db2.gz QWHCXLFYUJWZBH-WDEREUQCSA-N 0 3 299.371 -1.160 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC001206918295 775135218 /nfs/dbraw/zinc/13/52/18/775135218.db2.gz UDOQXBNYOKPRAN-OUAUKWLOSA-N 0 3 297.359 -1.128 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@@H]1CCCN1CCO ZINC001266492417 775136206 /nfs/dbraw/zinc/13/62/06/775136206.db2.gz OOMSVYXWMQWGQK-UWVGGRQHSA-N 0 3 298.343 -1.453 20 0 CAADHN O=C(CN1C(=O)CCC1=O)NC[C@H]1CCCN1CCO ZINC001266492083 775137116 /nfs/dbraw/zinc/13/71/16/775137116.db2.gz HUEGDTOMANEJTI-SNVBAGLBSA-N 0 3 283.328 -1.292 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001125354810 775137138 /nfs/dbraw/zinc/13/71/38/775137138.db2.gz RZHQYNICIGBSHH-MBTKJCJQSA-N 0 3 268.317 -1.067 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)NC[C@@H]1CCCN1CCO ZINC001266492418 775137312 /nfs/dbraw/zinc/13/73/12/775137312.db2.gz OOMSVYXWMQWGQK-VHSXEESVSA-N 0 3 298.343 -1.453 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)COCCOC)C1 ZINC001266517247 775139245 /nfs/dbraw/zinc/13/92/45/775139245.db2.gz QHNLDROQUWPXOI-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001266524593 775140740 /nfs/dbraw/zinc/14/07/40/775140740.db2.gz VSSQVWVGPDAVSK-QMMMGPOBSA-N 0 3 251.290 -1.040 20 0 CAADHN CC(=O)NCC(=O)NCCNC(=O)[C@@H](C(C)C)N(C)C ZINC001282889465 775140923 /nfs/dbraw/zinc/14/09/23/775140923.db2.gz SGMBVZNSHOXKCD-GFCCVEGCSA-N 0 3 286.376 -1.059 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001266528357 775141275 /nfs/dbraw/zinc/14/12/75/775141275.db2.gz OCEOJWGBIWSUMH-RKDXNWHRSA-N 0 3 270.333 -1.614 20 0 CAADHN CCOCCOCC(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001266569765 775145802 /nfs/dbraw/zinc/14/58/02/775145802.db2.gz KUQCYRXQLALCHS-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CCCN(CCNC(=O)c1ncn[nH]1)CC(=O)NC ZINC001266575727 775146922 /nfs/dbraw/zinc/14/69/22/775146922.db2.gz ZYFHDTZOVSONCO-UHFFFAOYSA-N 0 3 268.321 -1.008 20 0 CAADHN CCCN(CCNC(=O)c1nc[nH]n1)CC(=O)NC ZINC001266575727 775146923 /nfs/dbraw/zinc/14/69/23/775146923.db2.gz ZYFHDTZOVSONCO-UHFFFAOYSA-N 0 3 268.321 -1.008 20 0 CAADHN CCCN(CCNC(=O)C(N)=O)CCN1C(=O)CCC1=O ZINC001266571431 775147011 /nfs/dbraw/zinc/14/70/11/775147011.db2.gz SZFIMUHIKQVXIZ-UHFFFAOYSA-N 0 3 298.343 -1.551 20 0 CAADHN COCC(=O)N(C)CCNCCNS(C)(=O)=O ZINC001266622078 775154272 /nfs/dbraw/zinc/15/42/72/775154272.db2.gz OXMLBXCAVRUVLH-UHFFFAOYSA-N 0 3 267.351 -1.770 20 0 CAADHN COCC(=O)N(C)CCNCC(=O)NC[C@@H]1CCOC1 ZINC001266624218 775154305 /nfs/dbraw/zinc/15/43/05/775154305.db2.gz VGLLMBWODAWBFY-NSHDSACASA-N 0 3 287.360 -1.167 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001266627192 775154323 /nfs/dbraw/zinc/15/43/23/775154323.db2.gz NWJJPAQPRDDJFQ-SECBINFHSA-N 0 3 284.316 -2.024 20 0 CAADHN CCS(=O)(=O)NCCNCCN(C)C(C)=O ZINC001266623614 775154370 /nfs/dbraw/zinc/15/43/70/775154370.db2.gz FGNBNSXBZSNCMS-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001207116038 775155150 /nfs/dbraw/zinc/15/51/50/775155150.db2.gz HNHMTPPYTUEJLZ-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001266634528 775155203 /nfs/dbraw/zinc/15/52/03/775155203.db2.gz VOBAGCNYRVMUHT-SSDOTTSWSA-N 0 3 287.320 -2.246 20 0 CAADHN CCN1CCC[C@](CO)(NC(=O)Cn2cnnn2)C1 ZINC001279462227 775155252 /nfs/dbraw/zinc/15/52/52/775155252.db2.gz PGPDJLHLFDFXOP-NSHDSACASA-N 0 3 268.321 -1.364 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CN(C)C(C)=O ZINC001266644105 775156694 /nfs/dbraw/zinc/15/66/94/775156694.db2.gz CELOKLCNKCQCNA-UHFFFAOYSA-N 0 3 258.322 -1.741 20 0 CAADHN COC(=O)NCC(=O)N(C)CCNCC(=O)NC1CC1 ZINC001266648673 775156882 /nfs/dbraw/zinc/15/68/82/775156882.db2.gz IVHWFMKEOGZQNK-UHFFFAOYSA-N 0 3 286.332 -1.331 20 0 CAADHN C[C@@H]1CCN(C(=O)CC(N)=O)[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001087138455 775156891 /nfs/dbraw/zinc/15/68/91/775156891.db2.gz NDDADPBUAGHBKG-OUAUKWLOSA-N 0 3 296.371 -1.033 20 0 CAADHN CO[C@H](C)C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001266650967 775156962 /nfs/dbraw/zinc/15/69/62/775156962.db2.gz NSACYXLEDNLMGA-SSDOTTSWSA-N 0 3 260.294 -1.736 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)Cn1cnnn1 ZINC001266638783 775157138 /nfs/dbraw/zinc/15/71/38/775157138.db2.gz HACDGIMOSMGLGK-UHFFFAOYSA-N 0 3 281.320 -2.047 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)c1nccnc1N ZINC001266662747 775158375 /nfs/dbraw/zinc/15/83/75/775158375.db2.gz PNJVNIMWSDEPRE-UHFFFAOYSA-N 0 3 292.343 -1.001 20 0 CAADHN COCCOCC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001266663518 775159139 /nfs/dbraw/zinc/15/91/39/775159139.db2.gz ZFJAVXUPACUWFS-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN CN(CCNCC(=O)NCC(F)(F)F)C(=O)CC(N)=O ZINC001266666598 775159644 /nfs/dbraw/zinc/15/96/44/775159644.db2.gz YXESQFGGJUBJLP-UHFFFAOYSA-N 0 3 298.265 -1.412 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CN1CCOCC1 ZINC001266678281 775160675 /nfs/dbraw/zinc/16/06/75/775160675.db2.gz XTMXSCMPLSQJIV-UHFFFAOYSA-N 0 3 272.349 -1.887 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001266690092 775161758 /nfs/dbraw/zinc/16/17/58/775161758.db2.gz NWLODYXRVKNDMX-VHSXEESVSA-N 0 3 257.334 -1.060 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)c1cnnn1C ZINC001266689472 775161947 /nfs/dbraw/zinc/16/19/47/775161947.db2.gz QYZHWDKRXZLGAO-UHFFFAOYSA-N 0 3 280.332 -1.291 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001266690091 775162333 /nfs/dbraw/zinc/16/23/33/775162333.db2.gz NWLODYXRVKNDMX-NXEZZACHSA-N 0 3 257.334 -1.060 20 0 CAADHN C[C@@H](CC(=O)N(C)CCNCC(=O)NC1CC1)NC(N)=O ZINC001266699481 775163183 /nfs/dbraw/zinc/16/31/83/775163183.db2.gz HQDYDEGCSXZUSR-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN CN(CCNCCF)C(=O)CCNS(C)(=O)=O ZINC001266715690 775165002 /nfs/dbraw/zinc/16/50/02/775165002.db2.gz CNYSSLKKPKKTGE-UHFFFAOYSA-N 0 3 269.342 -1.057 20 0 CAADHN COCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001215758566 775165059 /nfs/dbraw/zinc/16/50/59/775165059.db2.gz FOGABISVBYEZOE-GMTAPVOTSA-N 0 3 287.360 -1.040 20 0 CAADHN NC(=O)CN1CCC[C@H]1CCCNC(=O)C(N)=O ZINC001267175892 775207493 /nfs/dbraw/zinc/20/74/93/775207493.db2.gz VLITUWAWVYALGL-MRVPVSSYSA-N 0 3 256.306 -1.682 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125616027 775207509 /nfs/dbraw/zinc/20/75/09/775207509.db2.gz YLBXADHHCLYDCZ-MRVPVSSYSA-N 0 3 256.306 -2.036 20 0 CAADHN COCCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001215758567 775165645 /nfs/dbraw/zinc/16/56/45/775165645.db2.gz FOGABISVBYEZOE-OUAUKWLOSA-N 0 3 287.360 -1.040 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H](C)N1C(=O)CCC1=O)C(N)=O ZINC001266718270 775165654 /nfs/dbraw/zinc/16/56/54/775165654.db2.gz JHHRVHYPYJIHSA-IUCAKERBSA-N 0 3 298.343 -1.554 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H](C)N1C(=O)CCC1=O)C(N)=O ZINC001266718271 775165850 /nfs/dbraw/zinc/16/58/50/775165850.db2.gz JHHRVHYPYJIHSA-RKDXNWHRSA-N 0 3 298.343 -1.554 20 0 CAADHN O=S(=O)(NC[C@H]1C[C@@H]2COC[C@@H]2O1)C1CNC1 ZINC000724601803 775207578 /nfs/dbraw/zinc/20/75/78/775207578.db2.gz ZTYNPCMLUZZHGT-MRTMQBJTSA-N 0 3 262.331 -1.319 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1CCCNC1=O)C(N)=O ZINC001266733640 775166397 /nfs/dbraw/zinc/16/63/97/775166397.db2.gz YCXQNZQAXPPNMA-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1CCCNC1=O)C(N)=O ZINC001266733642 775166454 /nfs/dbraw/zinc/16/64/54/775166454.db2.gz YCXQNZQAXPPNMA-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1CCCNC1=O)C(N)=O ZINC001266733637 775166795 /nfs/dbraw/zinc/16/67/95/775166795.db2.gz YCXQNZQAXPPNMA-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CC[NH2+]CCOCCO)C(=O)c1cnc[n-]c1=O ZINC001266736283 775166842 /nfs/dbraw/zinc/16/68/42/775166842.db2.gz JSJLWXRVBBXPDR-UHFFFAOYSA-N 0 3 284.316 -1.147 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1CCCNC1=O)C(N)=O ZINC001266733639 775166905 /nfs/dbraw/zinc/16/69/05/775166905.db2.gz YCXQNZQAXPPNMA-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H]1C[C@H](C(=O)N(C)CCNCC(=O)NC(N)=O)CO1 ZINC001266748345 775168282 /nfs/dbraw/zinc/16/82/82/775168282.db2.gz CHVBFGASXARWSN-IUCAKERBSA-N 0 3 286.332 -1.346 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)CNC(C)=O ZINC001267183472 775208452 /nfs/dbraw/zinc/20/84/52/775208452.db2.gz RASNICDYPVKGBT-SNVBAGLBSA-N 0 3 261.322 -1.822 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207192437 775168992 /nfs/dbraw/zinc/16/89/92/775168992.db2.gz QXYYOEHVMUXMHP-WPRPVWTQSA-N 0 3 270.333 -1.423 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CCC(=O)N1C ZINC001266813586 775173426 /nfs/dbraw/zinc/17/34/26/775173426.db2.gz WZKXUHYEWYFVIU-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001266809338 775173509 /nfs/dbraw/zinc/17/35/09/775173509.db2.gz WDQJHSAAXPHPLP-JTQLQIEISA-N 0 3 284.360 -1.399 20 0 CAADHN CCC[C@H](O)CNS(=O)(=O)N1CCNCC1 ZINC000217990916 775173539 /nfs/dbraw/zinc/17/35/39/775173539.db2.gz YAQPOZFWABGVJI-VIFPVBQESA-N 0 3 251.352 -1.113 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)c1nnn(C)n1 ZINC001266805748 775173824 /nfs/dbraw/zinc/17/38/24/775173824.db2.gz IADQVZWPWGSIND-UHFFFAOYSA-N 0 3 281.320 -1.850 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001266822271 775174723 /nfs/dbraw/zinc/17/47/23/775174723.db2.gz RWTXLRBQMQMRLK-RQJHMYQMSA-N 0 3 257.294 -2.410 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)C2(C(N)=O)CC2)C1=O ZINC001266824871 775174835 /nfs/dbraw/zinc/17/48/35/775174835.db2.gz VAKJUQBMENKPMV-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001266822268 775175141 /nfs/dbraw/zinc/17/51/41/775175141.db2.gz RWTXLRBQMQMRLK-BQBZGAKWSA-N 0 3 257.294 -2.410 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCCCO1 ZINC001125532447 775175164 /nfs/dbraw/zinc/17/51/64/775175164.db2.gz RNXUDJWTDJZXPF-VIFPVBQESA-N 0 3 286.332 -1.154 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001266817321 775175336 /nfs/dbraw/zinc/17/53/36/775175336.db2.gz GYCAABBZCQGTNQ-UHFFFAOYSA-N 0 3 281.316 -1.432 20 0 CAADHN CC(C)CNC(=O)CNCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001266822470 775175641 /nfs/dbraw/zinc/17/56/41/775175641.db2.gz YHALXYHEVDGPOL-JTQLQIEISA-N 0 3 299.375 -1.512 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)C2(C(N)=O)CC2)C1=O ZINC001266824872 775175588 /nfs/dbraw/zinc/17/55/88/775175588.db2.gz VAKJUQBMENKPMV-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001207221761 775176686 /nfs/dbraw/zinc/17/66/86/775176686.db2.gz KVTIGKDGNXMMFZ-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CN(CCNCc1nnnn1C)C(=O)Cc1c[nH]cn1 ZINC001266847061 775176959 /nfs/dbraw/zinc/17/69/59/775176959.db2.gz SKHVXORNZQZZMC-UHFFFAOYSA-N 0 3 278.320 -1.276 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCc2nnnn2CC1 ZINC001266841169 775177266 /nfs/dbraw/zinc/17/72/66/775177266.db2.gz OHBSNIMMFAXNIE-SECBINFHSA-N 0 3 295.347 -1.841 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCNCCF ZINC001266846011 775177494 /nfs/dbraw/zinc/17/74/94/775177494.db2.gz SHDUSSINQYEEGW-MRVPVSSYSA-N 0 3 269.342 -1.058 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001266845786 775177558 /nfs/dbraw/zinc/17/75/58/775177558.db2.gz LSLGQQZAQUHKLO-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCNCC(=O)NC(N)=O)CC1 ZINC001266887875 775180247 /nfs/dbraw/zinc/18/02/47/775180247.db2.gz GYFMWSQIEJQGAF-UHFFFAOYSA-N 0 3 299.331 -2.245 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1cc(C)[nH]n1 ZINC001125546926 775180377 /nfs/dbraw/zinc/18/03/77/775180377.db2.gz NVTMDDVMLBGEFN-UHFFFAOYSA-N 0 3 296.331 -1.578 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1cc(C)n[nH]1 ZINC001125546926 775180381 /nfs/dbraw/zinc/18/03/81/775180381.db2.gz NVTMDDVMLBGEFN-UHFFFAOYSA-N 0 3 296.331 -1.578 20 0 CAADHN COCCNCC(=O)N(C)CCS(C)(=O)=O ZINC000086855368 775180563 /nfs/dbraw/zinc/18/05/63/775180563.db2.gz LHRXILZBDCWSPH-UHFFFAOYSA-N 0 3 252.336 -1.275 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)c1cnon1 ZINC001266904149 775181691 /nfs/dbraw/zinc/18/16/91/775181691.db2.gz PPMSAOHTEKNXAI-UHFFFAOYSA-N 0 3 255.278 -1.181 20 0 CAADHN CC[C@H](NCCN(C)C(=O)c1cnon1)C(N)=O ZINC001266904294 775182785 /nfs/dbraw/zinc/18/27/85/775182785.db2.gz VRQDVQMKLKXFQM-ZETCQYMHSA-N 0 3 255.278 -1.005 20 0 CAADHN C[C@H](CNC(=O)C1=COCCO1)N[C@@H](C)C(N)=O ZINC001266921429 775183730 /nfs/dbraw/zinc/18/37/30/775183730.db2.gz GIGOSCXKYHOJNL-SFYZADRCSA-N 0 3 257.290 -1.157 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)Cn1cnnn1 ZINC001266922810 775184258 /nfs/dbraw/zinc/18/42/58/775184258.db2.gz UNQLYASZMSBONV-SSDOTTSWSA-N 0 3 255.282 -2.487 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCNC1=O ZINC001266922664 775184279 /nfs/dbraw/zinc/18/42/79/775184279.db2.gz RKZOWBRRPJCCPD-HTQZYQBOSA-N 0 3 267.293 -2.344 20 0 CAADHN CCOCCC(=O)NC[C@@H](C)NCC(=O)NC(=O)NC ZINC001266925166 775184719 /nfs/dbraw/zinc/18/47/19/775184719.db2.gz MRYFOMSUOWTRDR-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)NCC(N)=O ZINC001266935665 775185740 /nfs/dbraw/zinc/18/57/40/775185740.db2.gz MTIRBFLCZAOIDB-ZETCQYMHSA-N 0 3 259.310 -2.115 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)N[C@@H]1CCC(=O)NC1=O ZINC001266936889 775185817 /nfs/dbraw/zinc/18/58/17/775185817.db2.gz YQVTZRKYIVGHHP-JGVFFNPUSA-N 0 3 294.315 -1.672 20 0 CAADHN Cc1c(C(=O)NC[C@@H](C)NCC(N)=O)nnn1C ZINC001266929474 775186120 /nfs/dbraw/zinc/18/61/20/775186120.db2.gz GKBVCAKYVIFLQI-ZCFIWIBFSA-N 0 3 254.294 -1.683 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)N[C@H]1CCC(=O)NC1=O ZINC001266936891 775186426 /nfs/dbraw/zinc/18/64/26/775186426.db2.gz YQVTZRKYIVGHHP-YUMQZZPRSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)NCCF ZINC001266944050 775186510 /nfs/dbraw/zinc/18/65/10/775186510.db2.gz FOLUPHRXFOOWKX-RQJHMYQMSA-N 0 3 260.269 -1.352 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)NCCF ZINC001266944030 775186611 /nfs/dbraw/zinc/18/66/11/775186611.db2.gz FOLUPHRXFOOWKX-BQBZGAKWSA-N 0 3 260.269 -1.352 20 0 CAADHN C[C@@H](CNC(=O)C(C)(C)C(N)=O)N[C@H]1CCNC1=O ZINC001266949742 775187357 /nfs/dbraw/zinc/18/73/57/775187357.db2.gz LETMYQRPFOSZHK-YUMQZZPRSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1NC(=O)NC1=O)NCC(=O)N(C)C ZINC001266944220 775187618 /nfs/dbraw/zinc/18/76/18/775187618.db2.gz JANPYVFGBXFWGX-SFYZADRCSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@H](CNC(=O)c1cnc[n-]c1=O)[NH2+][C@H](C)C(N)=O ZINC001266946241 775187830 /nfs/dbraw/zinc/18/78/30/775187830.db2.gz JZTAHNBFJIRVKP-RNFRBKRXSA-N 0 3 267.289 -1.236 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCNC1=O)NCC(=O)NCC1CC1 ZINC001266962110 775187903 /nfs/dbraw/zinc/18/79/03/775187903.db2.gz OAQFPMWRQABCKU-KOLCDFICSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)C(N)=O)N[C@@H]1CCNC1=O ZINC001266949739 775187936 /nfs/dbraw/zinc/18/79/36/775187936.db2.gz LETMYQRPFOSZHK-HTQZYQBOSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H]([NH2+][C@@H](C)CNC(=O)c1cnc[n-]c1=O)C(N)=O ZINC001266946240 775187988 /nfs/dbraw/zinc/18/79/88/775187988.db2.gz JZTAHNBFJIRVKP-NKWVEPMBSA-N 0 3 267.289 -1.236 20 0 CAADHN CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1[n-]nnc1C ZINC001266960914 775188164 /nfs/dbraw/zinc/18/81/64/775188164.db2.gz OIZAASOYUBUVCP-ZETCQYMHSA-N 0 3 268.321 -1.043 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)C(N)=O)N[C@H]1CCNC1=O ZINC001266949741 775188218 /nfs/dbraw/zinc/18/82/18/775188218.db2.gz LETMYQRPFOSZHK-SFYZADRCSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](CNC(=O)C(C)(C)C(N)=O)N[C@@H]1CCNC1=O ZINC001266949740 775188463 /nfs/dbraw/zinc/18/84/63/775188463.db2.gz LETMYQRPFOSZHK-JGVFFNPUSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)NCCF ZINC001266947571 775188507 /nfs/dbraw/zinc/18/85/07/775188507.db2.gz CAJVNFLZFLNVRC-MRVPVSSYSA-N 0 3 259.285 -1.354 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@]1(C)CCNC1=O ZINC001266970758 775189971 /nfs/dbraw/zinc/18/99/71/775189971.db2.gz GHGCDMIFPBTLDM-ZANVPECISA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)NCCN1CCCS1(=O)=O ZINC001266967763 775190211 /nfs/dbraw/zinc/19/02/11/775190211.db2.gz PMCOUNPDMAJVCO-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN C[C@@H](CNC(=O)CN1C(=O)CNC1=O)N[C@H]1CCNC1=O ZINC001266991249 775191034 /nfs/dbraw/zinc/19/10/34/775191034.db2.gz GAAVKVSPUXNRFX-YUMQZZPRSA-N 0 3 297.315 -2.479 20 0 CAADHN C[C@H](CNC(=O)CCc1cnn(C)n1)NCC(N)=O ZINC001266972046 775191336 /nfs/dbraw/zinc/19/13/36/775191336.db2.gz SYCBILBXVUFXJS-MRVPVSSYSA-N 0 3 268.321 -1.673 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N[C@@H]1CCC(=O)NC1=O ZINC001266978925 775191589 /nfs/dbraw/zinc/19/15/89/775191589.db2.gz WKRPZVOYBPXZEE-HTQZYQBOSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@H](CNC(=O)CN1C(=O)CNC1=O)N[C@@H]1CCNC1=O ZINC001266991246 775192026 /nfs/dbraw/zinc/19/20/26/775192026.db2.gz GAAVKVSPUXNRFX-HTQZYQBOSA-N 0 3 297.315 -2.479 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H]1CCCCN1C(N)=O ZINC001266972359 775192185 /nfs/dbraw/zinc/19/21/85/775192185.db2.gz AJOKEMBYBVPVIG-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N[C@H]1CCC(=O)NC1=O ZINC001266978927 775192196 /nfs/dbraw/zinc/19/21/96/775192196.db2.gz WKRPZVOYBPXZEE-SFYZADRCSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@H](CNC(=O)CN1C(=O)CNC1=O)N[C@H]1CCNC1=O ZINC001266991248 775192255 /nfs/dbraw/zinc/19/22/55/775192255.db2.gz GAAVKVSPUXNRFX-SFYZADRCSA-N 0 3 297.315 -2.479 20 0 CAADHN C[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)NCC(N)=O ZINC001266999012 775192759 /nfs/dbraw/zinc/19/27/59/775192759.db2.gz RDLHLIKTWWEZAD-RQJHMYQMSA-N 0 3 270.289 -2.381 20 0 CAADHN C[C@H](CNC(=O)CCc1cnn(C)c1)NCC(N)=O ZINC001266994101 775193141 /nfs/dbraw/zinc/19/31/41/775193141.db2.gz JGXKYAMQUVWUJT-SECBINFHSA-N 0 3 267.333 -1.068 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)N[C@H]1CCC(=O)NC1=O ZINC001266991599 775193672 /nfs/dbraw/zinc/19/36/72/775193672.db2.gz NOVHCXNXDCYFCL-IUCAKERBSA-N 0 3 294.315 -1.822 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)NCC(N)=O ZINC001266994732 775193830 /nfs/dbraw/zinc/19/38/30/775193830.db2.gz OTXUQKHWLNDCNX-ZETCQYMHSA-N 0 3 269.305 -2.083 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)N[C@@H]1CCC(=O)NC1=O ZINC001266991600 775193952 /nfs/dbraw/zinc/19/39/52/775193952.db2.gz NOVHCXNXDCYFCL-RKDXNWHRSA-N 0 3 294.315 -1.822 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCCCNC(N)=O)C1 ZINC001267013360 775195466 /nfs/dbraw/zinc/19/54/66/775195466.db2.gz IAKKNNJAEOGWDD-VIFPVBQESA-N 0 3 285.348 -1.499 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001267012193 775195584 /nfs/dbraw/zinc/19/55/84/775195584.db2.gz BCLDIRLSPDMBPL-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)Cn1cncn1 ZINC001267040632 775196619 /nfs/dbraw/zinc/19/66/19/775196619.db2.gz RGHYHDPKZUGMOS-VIFPVBQESA-N 0 3 268.321 -1.539 20 0 CAADHN CC(C)NC(=O)CNCCN(C)C(=O)Cn1cncn1 ZINC001267040666 775197174 /nfs/dbraw/zinc/19/71/74/775197174.db2.gz SUXVIYICNOBNAD-UHFFFAOYSA-N 0 3 282.348 -1.149 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001267040210 775197323 /nfs/dbraw/zinc/19/73/23/775197323.db2.gz HZBWHLZIOOFNSA-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN NC(=O)NCC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001207259089 775198767 /nfs/dbraw/zinc/19/87/67/775198767.db2.gz WYPAKLGLDRPWEX-BDAKNGLRSA-N 0 3 283.332 -1.876 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cncc(F)c1 ZINC001125577917 775199502 /nfs/dbraw/zinc/19/95/02/775199502.db2.gz QWDJSMQHEPGUOJ-UHFFFAOYSA-N 0 3 297.290 -1.004 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)CNC(N)=O)C1)C(=O)N(C)C ZINC001207268582 775199745 /nfs/dbraw/zinc/19/97/45/775199745.db2.gz VHTUROYSKVUYNX-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)CNC(N)=O)C1)C(=O)N(C)C ZINC001207268579 775200115 /nfs/dbraw/zinc/20/01/15/775200115.db2.gz VHTUROYSKVUYNX-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207267803 775200236 /nfs/dbraw/zinc/20/02/36/775200236.db2.gz RCRHLCQJPFSGGO-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN Cc1nc(CN[C@@H]2CCCN(C(=O)CNC(N)=O)C2)n[nH]1 ZINC001207267630 775200318 /nfs/dbraw/zinc/20/03/18/775200318.db2.gz PREPNSSNMVTKNX-SECBINFHSA-N 0 3 295.347 -1.138 20 0 CAADHN C[C@@H](O)CN1C[C@H]2OCCN(C(=O)Cc3nnc[nH]3)[C@H]2C1 ZINC001083244125 775201503 /nfs/dbraw/zinc/20/15/03/775201503.db2.gz JYWFCVXPRLSEPT-OUAUKWLOSA-N 0 3 295.343 -1.360 20 0 CAADHN C[C@@H](O)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3nnc[n-]3)[C@H]2C1 ZINC001083244125 775201512 /nfs/dbraw/zinc/20/15/12/775201512.db2.gz JYWFCVXPRLSEPT-OUAUKWLOSA-N 0 3 295.343 -1.360 20 0 CAADHN C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3nnc[n-]3)[C@H]2C1 ZINC001083244125 775201516 /nfs/dbraw/zinc/20/15/16/775201516.db2.gz JYWFCVXPRLSEPT-OUAUKWLOSA-N 0 3 295.343 -1.360 20 0 CAADHN C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001087207143 775201580 /nfs/dbraw/zinc/20/15/80/775201580.db2.gz RKMOLBJKPDMMJW-KXUCPTDWSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CN[C@H]2CCN(C)C2=O)C1 ZINC001087207784 775201729 /nfs/dbraw/zinc/20/17/29/775201729.db2.gz WWJWISFALWMXJK-VWYCJHECSA-N 0 3 296.371 -1.081 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cccc(C(N)=O)n1 ZINC001267127163 775203394 /nfs/dbraw/zinc/20/33/94/775203394.db2.gz NIGXYCQJCGZSET-UHFFFAOYSA-N 0 3 293.327 -1.412 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cc[nH]c(=O)c1 ZINC001125605113 775203590 /nfs/dbraw/zinc/20/35/90/775203590.db2.gz MLNBAVGXHNRNJG-UHFFFAOYSA-N 0 3 281.272 -1.699 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001267121429 775204064 /nfs/dbraw/zinc/20/40/64/775204064.db2.gz IKBDDWSCOMCUDN-UHFFFAOYSA-N 0 3 297.359 -1.526 20 0 CAADHN C[C@@H](CCNC(=O)c1cnc[n-]c1=O)[NH2+]CC(N)=O ZINC001267134675 775204082 /nfs/dbraw/zinc/20/40/82/775204082.db2.gz KWRAPNXIJHWWBB-ZETCQYMHSA-N 0 3 267.289 -1.235 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cc[nH]c(=O)c1 ZINC001125605481 775204423 /nfs/dbraw/zinc/20/44/23/775204423.db2.gz OOCDPHNTDLBSGA-VIFPVBQESA-N 0 3 264.285 -1.005 20 0 CAADHN C[C@H](CCNC(=O)c1cnc[n-]c1=O)[NH2+]CC(N)=O ZINC001267134674 775204526 /nfs/dbraw/zinc/20/45/26/775204526.db2.gz KWRAPNXIJHWWBB-SSDOTTSWSA-N 0 3 267.289 -1.235 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cc[nH]c(=O)c1 ZINC001125606381 775205025 /nfs/dbraw/zinc/20/50/25/775205025.db2.gz ZXKXFLYYEZLFHI-VIFPVBQESA-N 0 3 292.295 -1.088 20 0 CAADHN C[C@H](NCCNC(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001125606355 775205147 /nfs/dbraw/zinc/20/51/47/775205147.db2.gz YPOKRYZGWBHJRW-ZETCQYMHSA-N 0 3 252.274 -1.020 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125615161 775205305 /nfs/dbraw/zinc/20/53/05/775205305.db2.gz AFJYWNHMOFDGTO-SNVBAGLBSA-N 0 3 284.360 -1.255 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125615313 775205421 /nfs/dbraw/zinc/20/54/21/775205421.db2.gz GBQOZDHBZIRZLV-SECBINFHSA-N 0 3 270.333 -1.646 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125615200 775205754 /nfs/dbraw/zinc/20/57/54/775205754.db2.gz BLNSQNOTEJUKKH-MRVPVSSYSA-N 0 3 299.331 -2.326 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125615398 775205800 /nfs/dbraw/zinc/20/58/00/775205800.db2.gz IZHVLPFZKJKANJ-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cc[nH]c(=O)c1 ZINC001125606380 775205980 /nfs/dbraw/zinc/20/59/80/775205980.db2.gz ZXKXFLYYEZLFHI-SECBINFHSA-N 0 3 292.295 -1.088 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125615399 775206347 /nfs/dbraw/zinc/20/63/47/775206347.db2.gz IZHVLPFZKJKANJ-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)CNC(C)=O ZINC001267183471 775207351 /nfs/dbraw/zinc/20/73/51/775207351.db2.gz RASNICDYPVKGBT-JTQLQIEISA-N 0 3 261.322 -1.822 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC(=O)C1)N1CCC1 ZINC001125615628 775207412 /nfs/dbraw/zinc/20/74/12/775207412.db2.gz OKUXSGUWXMWWEE-SNVBAGLBSA-N 0 3 282.344 -1.549 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCNC(=O)C1)C(N)=O ZINC001125624630 775208057 /nfs/dbraw/zinc/20/80/57/775208057.db2.gz DYYQAOJLIWYJLM-YUMQZZPRSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCNC(=O)C1)C(=O)NC(N)=O ZINC001125624434 775208207 /nfs/dbraw/zinc/20/82/07/775208207.db2.gz BPEPJUIHGZEXCT-YUMQZZPRSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCNC(=O)C1)C(=O)NC(N)=O ZINC001125624432 775208309 /nfs/dbraw/zinc/20/83/09/775208309.db2.gz BPEPJUIHGZEXCT-JGVFFNPUSA-N 0 3 299.331 -2.198 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125615817 775208321 /nfs/dbraw/zinc/20/83/21/775208321.db2.gz UHXQTQHOKUNCAB-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CCNC(=O)C1 ZINC001125630738 775209530 /nfs/dbraw/zinc/20/95/30/775209530.db2.gz LUKPJBSTAIYVEX-NXEZZACHSA-N 0 3 282.344 -1.503 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@H]2CCNC(=O)C2)C1=O ZINC001125631050 775209949 /nfs/dbraw/zinc/20/99/49/775209949.db2.gz RFAHDIBGOXGLDC-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1CCNC(=O)C1 ZINC001125631057 775210163 /nfs/dbraw/zinc/21/01/63/775210163.db2.gz RJIRILKHOPXIFX-BDAKNGLRSA-N 0 3 296.327 -1.976 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2CCNC(=O)C2)C1=O ZINC001125629907 775210379 /nfs/dbraw/zinc/21/03/79/775210379.db2.gz BBSGLGSXHQZMEQ-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1CCNC(=O)C1 ZINC001125631059 775210608 /nfs/dbraw/zinc/21/06/08/775210608.db2.gz RJIRILKHOPXIFX-IUCAKERBSA-N 0 3 296.327 -1.976 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@@H]2CCNC(=O)C2)C1=O ZINC001125631048 775210842 /nfs/dbraw/zinc/21/08/42/775210842.db2.gz RFAHDIBGOXGLDC-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125629976 775210962 /nfs/dbraw/zinc/21/09/62/775210962.db2.gz CLEUYDJGOUTPKJ-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125630077 775211101 /nfs/dbraw/zinc/21/11/01/775211101.db2.gz CLEUYDJGOUTPKJ-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCNC(=O)C1)C(N)=O ZINC001125638258 775211954 /nfs/dbraw/zinc/21/19/54/775211954.db2.gz NNGDXKCDCRKVGS-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCNC(=O)C1)C(N)=O ZINC001125638257 775212161 /nfs/dbraw/zinc/21/21/61/775212161.db2.gz NNGDXKCDCRKVGS-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CCCNC1=O ZINC001267201042 775212193 /nfs/dbraw/zinc/21/21/93/775212193.db2.gz VEXGFXCKMVBONV-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCNC(=O)C1)C(N)=O ZINC001125638260 775212366 /nfs/dbraw/zinc/21/23/66/775212366.db2.gz NNGDXKCDCRKVGS-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCCNC1=O ZINC001267201051 775212408 /nfs/dbraw/zinc/21/24/08/775212408.db2.gz VEXGFXCKMVBONV-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCNC(=O)C2)C1=O ZINC001125637050 775212498 /nfs/dbraw/zinc/21/24/98/775212498.db2.gz CFWJZKRGTXTEQO-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125637006 775213877 /nfs/dbraw/zinc/21/38/77/775213877.db2.gz ABQRBAWGSUMASK-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001267199054 775213937 /nfs/dbraw/zinc/21/39/37/775213937.db2.gz ILBZRSUDIDIYSE-UWVGGRQHSA-N 0 3 257.334 -1.107 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCNC(=O)C2)C1=O ZINC001125637051 775213993 /nfs/dbraw/zinc/21/39/93/775213993.db2.gz CFWJZKRGTXTEQO-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(CCCO[C@@H]1CCOC1)CCNC(=O)C(N)=O ZINC001267214344 775214798 /nfs/dbraw/zinc/21/47/98/775214798.db2.gz UOMXOFSWGOOKRS-SNVBAGLBSA-N 0 3 273.333 -1.285 20 0 CAADHN CN(CCCO[C@H]1CCOC1)CCNC(=O)C(N)=O ZINC001267214343 775215628 /nfs/dbraw/zinc/21/56/28/775215628.db2.gz UOMXOFSWGOOKRS-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN CN(CCNC(=O)c1ccc(=O)n(C)n1)CCOCCO ZINC001267229028 775217353 /nfs/dbraw/zinc/21/73/53/775217353.db2.gz FINVWLSPQHYORL-UHFFFAOYSA-N 0 3 298.343 -1.549 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCNC(=O)c1ncn[nH]1 ZINC001267223197 775218495 /nfs/dbraw/zinc/21/84/95/775218495.db2.gz DQHMYTJCGRGRRD-SSDOTTSWSA-N 0 3 254.294 -1.270 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCNC(=O)c1nc[nH]n1 ZINC001267223197 775218499 /nfs/dbraw/zinc/21/84/99/775218499.db2.gz DQHMYTJCGRGRRD-SSDOTTSWSA-N 0 3 254.294 -1.270 20 0 CAADHN CNC(=O)CN(C)CCNC(=O)Cc1cnc[nH]1 ZINC001267219172 775218578 /nfs/dbraw/zinc/21/85/78/775218578.db2.gz NUALNLGJEOFQII-UHFFFAOYSA-N 0 3 253.306 -1.254 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccn(C)c1)C(=O)NC(N)=O ZINC001125667293 775220275 /nfs/dbraw/zinc/22/02/75/775220275.db2.gz LITYEQHRZZVREK-MRVPVSSYSA-N 0 3 281.316 -1.072 20 0 CAADHN NC(=O)CC(=O)NC[C@@H]1CCCN1CCn1cncn1 ZINC001267262855 775220293 /nfs/dbraw/zinc/22/02/93/775220293.db2.gz DGOPHYFIWPWOIP-JTQLQIEISA-N 0 3 280.332 -1.266 20 0 CAADHN CCN(CCO)CCNC(=O)CN1C(=O)CCC1=O ZINC001267256451 775220546 /nfs/dbraw/zinc/22/05/46/775220546.db2.gz XFYKUXVTVKKXDO-UHFFFAOYSA-N 0 3 271.317 -1.434 20 0 CAADHN C[C@H](NCCNC(=O)c1ccn(C)c1)C(=O)NC(N)=O ZINC001125667294 775220882 /nfs/dbraw/zinc/22/08/82/775220882.db2.gz LITYEQHRZZVREK-QMMMGPOBSA-N 0 3 281.316 -1.072 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cn(C)cn1 ZINC001125680834 775222575 /nfs/dbraw/zinc/22/25/75/775222575.db2.gz JHVKBECWZGHTQK-UHFFFAOYSA-N 0 3 282.304 -1.805 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(=O)N2CCOCC2)c1 ZINC001125680995 775222680 /nfs/dbraw/zinc/22/26/80/775222680.db2.gz NGQNCFZWYVUGCQ-UHFFFAOYSA-N 0 3 295.343 -1.402 20 0 CAADHN NC(=O)C1(C(=O)NC[C@H]2CCCN2CCOCCO)CC1 ZINC001267273258 775222992 /nfs/dbraw/zinc/22/29/92/775222992.db2.gz DBEOVNPDHKYJPL-LLVKDONJSA-N 0 3 299.371 -1.159 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cn(C)cn1 ZINC001125680735 775223264 /nfs/dbraw/zinc/22/32/64/775223264.db2.gz GVPFDPXGMYWQSG-UHFFFAOYSA-N 0 3 296.331 -1.415 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@H]2CCN(C)C2=O)c1 ZINC001125670978 775223322 /nfs/dbraw/zinc/22/33/22/775223322.db2.gz DADKCPHDJMDVJI-VIFPVBQESA-N 0 3 265.317 -1.030 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)cn1)C(=O)NC(N)=O ZINC001125671750 775223804 /nfs/dbraw/zinc/22/38/04/775223804.db2.gz XHWMIHACUHCHLV-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN O=C(C[C@@H]1COC(=O)C1)NCCN[C@@H]1CCNC1=O ZINC001125687451 775224905 /nfs/dbraw/zinc/22/49/05/775224905.db2.gz CSCNUPKHAMKRMB-DTWKUNHWSA-N 0 3 269.301 -1.466 20 0 CAADHN O=C(C[C@H]1COC(=O)C1)NCCN[C@H]1CCCNC1=O ZINC001125687469 775225041 /nfs/dbraw/zinc/22/50/41/775225041.db2.gz CXFIPVJPLAURRQ-ZJUUUORDSA-N 0 3 283.328 -1.076 20 0 CAADHN O=C(C[C@H]1COC(=O)C1)NCCN[C@@H]1CCNC1=O ZINC001125687453 775225375 /nfs/dbraw/zinc/22/53/75/775225375.db2.gz CSCNUPKHAMKRMB-RKDXNWHRSA-N 0 3 269.301 -1.466 20 0 CAADHN O=C(C[C@H]1COC(=O)C1)NCCN[C@H]1CCNC1=O ZINC001125687450 775225443 /nfs/dbraw/zinc/22/54/43/775225443.db2.gz CSCNUPKHAMKRMB-BDAKNGLRSA-N 0 3 269.301 -1.466 20 0 CAADHN O=C(CNCCNC(=O)C[C@H]1COC(=O)C1)NC1CC1 ZINC001125687929 775225905 /nfs/dbraw/zinc/22/59/05/775225905.db2.gz NDZUSSKPQVXRQH-SECBINFHSA-N 0 3 283.328 -1.076 20 0 CAADHN CN(C(=O)[C@@H]1CCCNC1=O)[C@@H](CNCC(N)=O)C1CC1 ZINC001283506746 775226139 /nfs/dbraw/zinc/22/61/39/775226139.db2.gz JAFDDSGCFPRUAF-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)cn1 ZINC001125688242 775226243 /nfs/dbraw/zinc/22/62/43/775226243.db2.gz UFYOTKMPLPIBJA-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C1CCOCC1 ZINC001279640056 775227347 /nfs/dbraw/zinc/22/73/47/775227347.db2.gz RESJIBOURWBFDM-UHFFFAOYSA-N 0 3 273.333 -1.691 20 0 CAADHN CN(C(=O)[C@@H]1CCNC1=O)[C@@H](CNCC(N)=O)C1CC1 ZINC001283522649 775227585 /nfs/dbraw/zinc/22/75/85/775227585.db2.gz ZDYZWHHIHUZHBO-ZJUUUORDSA-N 0 3 282.344 -1.566 20 0 CAADHN O=C1CC[C@@H]2CN(S(=O)(=O)C3CNC3)CC[C@@H]2N1 ZINC000405123985 775228243 /nfs/dbraw/zinc/22/82/43/775228243.db2.gz COUURHYOYYIUJQ-SCZZXKLOSA-N 0 3 273.358 -1.112 20 0 CAADHN NC(=O)C(=O)NCCN(C[C@H](O)Cn1cccn1)C1CC1 ZINC001267332536 775228991 /nfs/dbraw/zinc/22/89/91/775228991.db2.gz OJDZBKZHTKMZNI-NSHDSACASA-N 0 3 295.343 -1.690 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C1CC1)N(C)C(=O)C(N)=O ZINC001283532132 775229118 /nfs/dbraw/zinc/22/91/18/775229118.db2.gz KDEUCKQUYVWHRV-IONNQARKSA-N 0 3 270.333 -1.567 20 0 CAADHN NC(=O)C(=O)NCCN(C[C@@H](O)Cn1cccn1)C1CC1 ZINC001267332535 775229226 /nfs/dbraw/zinc/22/92/26/775229226.db2.gz OJDZBKZHTKMZNI-LLVKDONJSA-N 0 3 295.343 -1.690 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405263580 775229401 /nfs/dbraw/zinc/22/94/01/775229401.db2.gz KILCSYBEOMSPTA-IVZWLZJFSA-N 0 3 253.302 -1.458 20 0 CAADHN CC(C)N(CCCNC(=O)[C@H]1CNC(=O)N1)CC(N)=O ZINC001267313766 775229626 /nfs/dbraw/zinc/22/96/26/775229626.db2.gz WSYLWDZPMRXRKH-SECBINFHSA-N 0 3 285.348 -1.630 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@H]1COC(=O)C1)C(N)=O ZINC001125697037 775230200 /nfs/dbraw/zinc/23/02/00/775230200.db2.gz YFDFJLLKEZBHFW-BDAKNGLRSA-N 0 3 271.317 -1.091 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125694893 775230515 /nfs/dbraw/zinc/23/05/15/775230515.db2.gz IQJFWQWSGMUPKT-BDAKNGLRSA-N 0 3 271.317 -1.220 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125694895 775230917 /nfs/dbraw/zinc/23/09/17/775230917.db2.gz IQJFWQWSGMUPKT-IUCAKERBSA-N 0 3 271.317 -1.220 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@H]1COC(=O)C1)C(N)=O ZINC001125697042 775231081 /nfs/dbraw/zinc/23/10/81/775231081.db2.gz YFDFJLLKEZBHFW-RKDXNWHRSA-N 0 3 271.317 -1.091 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)Cn1cnnn1 ZINC001267343794 775231803 /nfs/dbraw/zinc/23/18/03/775231803.db2.gz JOTVQXYELXWJNJ-UHFFFAOYSA-N 0 3 298.307 -2.823 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1cc[n+]([O-])cc1 ZINC001267344618 775231815 /nfs/dbraw/zinc/23/18/15/775231815.db2.gz NNSGPQVPOXJJSE-UHFFFAOYSA-N 0 3 295.299 -1.824 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)CNC(C)=O ZINC001267340754 775231865 /nfs/dbraw/zinc/23/18/65/775231865.db2.gz LBGGPUCNTRCERS-UHFFFAOYSA-N 0 3 258.322 -1.693 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)CNC(=O)C1CC1 ZINC001267349245 775232023 /nfs/dbraw/zinc/23/20/23/775232023.db2.gz UQTPNQVXNGFZGY-UHFFFAOYSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H]1COCCO1 ZINC001279660174 775232103 /nfs/dbraw/zinc/23/21/03/775232103.db2.gz FUFRIVGBZPOPTI-JTQLQIEISA-N 0 3 289.332 -2.442 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCNCC(=O)NC(N)=O ZINC001267347813 775232167 /nfs/dbraw/zinc/23/21/67/775232167.db2.gz LHSLZBLFMJVNIH-UHFFFAOYSA-N 0 3 287.320 -2.292 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)Cn1cnnn1 ZINC001267344159 775232350 /nfs/dbraw/zinc/23/23/50/775232350.db2.gz QKFMVRGMAQZJTC-QMMMGPOBSA-N 0 3 295.303 -2.474 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@@H]1CCCOC1 ZINC001267353122 775232389 /nfs/dbraw/zinc/23/23/89/775232389.db2.gz GTUKZPKWYPACGN-SECBINFHSA-N 0 3 286.332 -1.344 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)[C@@H]1COCCO1 ZINC001267348104 775232927 /nfs/dbraw/zinc/23/29/27/775232927.db2.gz UYQLUGPTSHZZDQ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@@H]1CCCCO1 ZINC001267364667 775233963 /nfs/dbraw/zinc/23/39/63/775233963.db2.gz RBLGMRGAHMRAGM-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001267362969 775233930 /nfs/dbraw/zinc/23/39/30/775233930.db2.gz QIEWXRRGCLQLAF-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)CC2(CCN(CCO)CC2)O1 ZINC001098578586 775234054 /nfs/dbraw/zinc/23/40/54/775234054.db2.gz YNJQRSONSBOJMQ-LLVKDONJSA-N 0 3 299.371 -1.064 20 0 CAADHN CN(CCNCc1cncn1C)C(=O)CC(N)=O ZINC001267358666 775234157 /nfs/dbraw/zinc/23/41/57/775234157.db2.gz JRPHHYOFIMYZEC-UHFFFAOYSA-N 0 3 253.306 -1.157 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cc1cc[nH]n1)C(N)=O ZINC001267358524 775234277 /nfs/dbraw/zinc/23/42/77/775234277.db2.gz FWYUQGBKOLTEKS-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CN1CCOCC1 ZINC001267365043 775234331 /nfs/dbraw/zinc/23/43/31/775234331.db2.gz PADIDAUPOPRFKH-UHFFFAOYSA-N 0 3 258.322 -2.148 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1CCOC1 ZINC001279666366 775234784 /nfs/dbraw/zinc/23/47/84/775234784.db2.gz HAYMGAJKLMPUSM-JTQLQIEISA-N 0 3 273.333 -1.821 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001267354869 775234847 /nfs/dbraw/zinc/23/48/47/775234847.db2.gz AQUNNEKGYKVOOJ-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN CO[C@@H](C(=O)N(C)CCNCC(=O)NC(N)=O)C1CC1 ZINC001267366675 775235395 /nfs/dbraw/zinc/23/53/95/775235395.db2.gz LFAQYMUBSAFQFT-SNVBAGLBSA-N 0 3 286.332 -1.346 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001267367798 775235987 /nfs/dbraw/zinc/23/59/87/775235987.db2.gz JPPWKESMHXHJDS-MWLCHTKSSA-N 0 3 285.344 -1.144 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1ncn(C)n1 ZINC001267369054 775236082 /nfs/dbraw/zinc/23/60/82/775236082.db2.gz NTRSQBNFNNFGAY-UHFFFAOYSA-N 0 3 297.319 -2.068 20 0 CAADHN CCN1CCN(CCN(C)C(=O)CC(N)=O)CC1 ZINC001267606322 775263148 /nfs/dbraw/zinc/26/31/48/775263148.db2.gz VLJMCVQWKZECLG-UHFFFAOYSA-N 0 3 256.350 -1.042 20 0 CAADHN CCOC[C@@H](O)CNCCS(=O)(=O)N1CCOCC1 ZINC000382298498 775236847 /nfs/dbraw/zinc/23/68/47/775236847.db2.gz WWAXYHWQJRTULD-NSHDSACASA-N 0 3 296.389 -1.365 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)CO[C@H]1CCOC1 ZINC001267372521 775237063 /nfs/dbraw/zinc/23/70/63/775237063.db2.gz SXQHRGZIMTZGAW-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1nnn(C(C)(C)C)n1 ZINC001267375660 775237665 /nfs/dbraw/zinc/23/76/65/775237665.db2.gz PWCKDSGOXSPIMZ-UHFFFAOYSA-N 0 3 283.336 -1.425 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cc2n(n1)CCO2 ZINC001267385347 775238563 /nfs/dbraw/zinc/23/85/63/775238563.db2.gz RFBGZDHMFPJTRQ-UHFFFAOYSA-N 0 3 267.289 -1.578 20 0 CAADHN Cc1ncn(C)c1C(=O)N(C)CCNCC(N)=O ZINC001267387547 775238853 /nfs/dbraw/zinc/23/88/53/775238853.db2.gz PZLXJIWNMVVSQH-UHFFFAOYSA-N 0 3 253.306 -1.125 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)CN(C)C(=O)C1CC1 ZINC001267380893 775239167 /nfs/dbraw/zinc/23/91/67/775239167.db2.gz PZVVRJOANYRGNJ-UHFFFAOYSA-N 0 3 298.387 -1.009 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCCCO1 ZINC001125723496 775239384 /nfs/dbraw/zinc/23/93/84/775239384.db2.gz RBQCLURFXWTEMG-JTQLQIEISA-N 0 3 293.389 -1.190 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001267387428 775239433 /nfs/dbraw/zinc/23/94/33/775239433.db2.gz DRVINBMOXDLKHA-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCCO1)C(=O)NC(N)=O ZINC001125729397 775239480 /nfs/dbraw/zinc/23/94/80/775239480.db2.gz YXPNQTGSAYJWDQ-IUCAKERBSA-N 0 3 286.332 -1.155 20 0 CAADHN Cc1c(CC(=O)N(C)CCNCC(N)=O)cnn1C ZINC001267382417 775239670 /nfs/dbraw/zinc/23/96/70/775239670.db2.gz QITVHUSGABTJBO-UHFFFAOYSA-N 0 3 267.333 -1.196 20 0 CAADHN CC[C@H](NCCN(C)C(=O)C(=O)NCC(F)F)C(N)=O ZINC001267393761 775241063 /nfs/dbraw/zinc/24/10/63/775241063.db2.gz RRJQVWSKUGCDTA-ZETCQYMHSA-N 0 3 294.302 -1.320 20 0 CAADHN Cc1n[nH]c(=O)c(C(=O)N(C)CCNCC(N)=O)c1C ZINC001267411571 775241273 /nfs/dbraw/zinc/24/12/73/775241273.db2.gz GIIZTBRGHFLKEN-UHFFFAOYSA-N 0 3 281.316 -1.054 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C(=O)C(C)(C)C)C(N)=O ZINC001279672135 775241286 /nfs/dbraw/zinc/24/12/86/775241286.db2.gz CYRYMZNSPVYDPB-VIFPVBQESA-N 0 3 287.360 -1.114 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)n1cccc1 ZINC001125758521 775241556 /nfs/dbraw/zinc/24/15/56/775241556.db2.gz WHMFSZSOHOVVKX-VIFPVBQESA-N 0 3 281.316 -1.050 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001267398522 775241619 /nfs/dbraw/zinc/24/16/19/775241619.db2.gz OUBOJLNKJAFOEP-JTQLQIEISA-N 0 3 299.375 -1.429 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001267391098 775241755 /nfs/dbraw/zinc/24/17/55/775241755.db2.gz AVACAWKGQWVVGO-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1nc(C)c(C)[nH]c1=O ZINC001267388242 775241802 /nfs/dbraw/zinc/24/18/02/775241802.db2.gz HVWONKRRUBFIRN-UHFFFAOYSA-N 0 3 295.343 -1.206 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001267420565 775242671 /nfs/dbraw/zinc/24/26/71/775242671.db2.gz CFNCDDSKZGNKPW-HTQZYQBOSA-N 0 3 297.315 -2.479 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001267420530 775242692 /nfs/dbraw/zinc/24/26/92/775242692.db2.gz BOLAVVAVQCIXEL-SECBINFHSA-N 0 3 283.332 -2.006 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H]2CCNC2=O)ncn1 ZINC001125762331 775243097 /nfs/dbraw/zinc/24/30/97/775243097.db2.gz SAHPYMIVGIHNRG-SECBINFHSA-N 0 3 263.301 -1.007 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1CCN(C)C1=O)C(N)=O ZINC001267417226 775243216 /nfs/dbraw/zinc/24/32/16/775243216.db2.gz RWXGBPHEAOYWRV-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1CCN(C)C1=O)C(N)=O ZINC001267417224 775243736 /nfs/dbraw/zinc/24/37/36/775243736.db2.gz RWXGBPHEAOYWRV-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@]1(F)CCOC1 ZINC001267418219 775244016 /nfs/dbraw/zinc/24/40/16/775244016.db2.gz BXLGLATXISGPBU-NSHDSACASA-N 0 3 261.297 -1.091 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCCCN1C(N)=O ZINC001267454196 775244542 /nfs/dbraw/zinc/24/45/42/775244542.db2.gz APEFHTUVEDRCOM-VIFPVBQESA-N 0 3 285.348 -1.547 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001267457585 775244631 /nfs/dbraw/zinc/24/46/31/775244631.db2.gz LXXGBOVGBFEZCY-QMMMGPOBSA-N 0 3 256.306 -1.941 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCC[C@H](C(N)=O)C1 ZINC001267435686 775244806 /nfs/dbraw/zinc/24/48/06/775244806.db2.gz XTPIZQGEWRZUKO-UWVGGRQHSA-N 0 3 284.360 -1.189 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)CCn1cnnn1 ZINC001267444434 775244880 /nfs/dbraw/zinc/24/48/80/775244880.db2.gz CYQNMHNCKNOEMY-UHFFFAOYSA-N 0 3 283.336 -1.753 20 0 CAADHN CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001087259587 775244927 /nfs/dbraw/zinc/24/49/27/775244927.db2.gz VUOMDCOGSXJVAR-QMMMGPOBSA-N 0 3 294.315 -1.411 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001267441451 775245043 /nfs/dbraw/zinc/24/50/43/775245043.db2.gz BCHANYSBPVDMCS-MRVPVSSYSA-N 0 3 266.305 -1.303 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)Cc1ncc[nH]1 ZINC001267445467 775245666 /nfs/dbraw/zinc/24/56/66/775245666.db2.gz AYAQCFRLCBCYDT-SECBINFHSA-N 0 3 293.327 -1.195 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001267430295 775245745 /nfs/dbraw/zinc/24/57/45/775245745.db2.gz MRPXENKWTRTMKS-UHFFFAOYSA-N 0 3 295.343 -1.137 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001267435687 775245899 /nfs/dbraw/zinc/24/58/99/775245899.db2.gz XTPIZQGEWRZUKO-VHSXEESVSA-N 0 3 284.360 -1.189 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCN[C@@H](C)C(N)=O)CCC1 ZINC001267458176 775246639 /nfs/dbraw/zinc/24/66/39/775246639.db2.gz BIAMPWMJJQNYPN-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001267466920 775247580 /nfs/dbraw/zinc/24/75/80/775247580.db2.gz VYUXAFKZVHRFFM-SSDOTTSWSA-N 0 3 285.304 -2.540 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1ccc(=O)[nH]c1 ZINC001267463384 775247742 /nfs/dbraw/zinc/24/77/42/775247742.db2.gz WNGXSULNJOIECO-UHFFFAOYSA-N 0 3 252.274 -1.066 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001267465090 775248003 /nfs/dbraw/zinc/24/80/03/775248003.db2.gz DDELYLJBLOJQTQ-UHFFFAOYSA-N 0 3 281.316 -1.812 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)ncn1 ZINC001125792597 775248588 /nfs/dbraw/zinc/24/85/88/775248588.db2.gz PEHDJZVGSKEJTI-SECBINFHSA-N 0 3 291.311 -1.090 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001267477340 775248841 /nfs/dbraw/zinc/24/88/41/775248841.db2.gz FECTYMLFCWYMJP-SECBINFHSA-N 0 3 298.343 -1.777 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001267477341 775249501 /nfs/dbraw/zinc/24/95/01/775249501.db2.gz FECTYMLFCWYMJP-VIFPVBQESA-N 0 3 298.343 -1.777 20 0 CAADHN CC(=O)N1CCC(C(=O)N(C)CCNCC(N)=O)CC1 ZINC001267468493 775249519 /nfs/dbraw/zinc/24/95/19/775249519.db2.gz WPJDYPSBJFOVHK-UHFFFAOYSA-N 0 3 284.360 -1.222 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001267478625 775249632 /nfs/dbraw/zinc/24/96/32/775249632.db2.gz SXIMWJHGVDZRIA-RKDXNWHRSA-N 0 3 296.327 -2.024 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)ncn1 ZINC001125792599 775250170 /nfs/dbraw/zinc/25/01/70/775250170.db2.gz PEHDJZVGSKEJTI-VIFPVBQESA-N 0 3 291.311 -1.090 20 0 CAADHN NC(=O)CC(=O)NCC[C@H]1CCN(CC(=O)N2CCC2)C1 ZINC001267513533 775251065 /nfs/dbraw/zinc/25/10/65/775251065.db2.gz KULFMKSFDIGMHT-NSHDSACASA-N 0 3 296.371 -1.078 20 0 CAADHN NC(=O)CC(=O)NCC[C@@H]1CCN(CC(=O)N2CCC2)C1 ZINC001267513532 775251354 /nfs/dbraw/zinc/25/13/54/775251354.db2.gz KULFMKSFDIGMHT-LLVKDONJSA-N 0 3 296.371 -1.078 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@](C)(O)C1CC1 ZINC001125865282 775291929 /nfs/dbraw/zinc/29/19/29/775291929.db2.gz HQRPLFKNMMYPBR-GFCCVEGCSA-N 0 3 257.334 -1.011 20 0 CAADHN Cn1nncc1C(=O)N(CCO)CCNCCF ZINC001279705599 775255146 /nfs/dbraw/zinc/25/51/46/775255146.db2.gz ZBZAKTZZSJJNRU-UHFFFAOYSA-N 0 3 259.285 -1.191 20 0 CAADHN CS(=O)(=O)NCCNC(=O)[C@@H](N)CC(F)F ZINC000309353171 775255235 /nfs/dbraw/zinc/25/52/35/775255235.db2.gz XXDAWSAPYHFOSI-YFKPBYRVSA-N 0 3 259.278 -1.366 20 0 CAADHN CS(=O)(=O)NCCNC(=O)[C@H](N)CC(F)F ZINC000309353169 775256509 /nfs/dbraw/zinc/25/65/09/775256509.db2.gz XXDAWSAPYHFOSI-RXMQYKEDSA-N 0 3 259.278 -1.366 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ncc[nH]1)C(N)=O ZINC001279711922 775257456 /nfs/dbraw/zinc/25/74/56/775257456.db2.gz UZFUOGNQGPPOKL-MRVPVSSYSA-N 0 3 269.305 -1.692 20 0 CAADHN CCCC[C@H](N[C@@H](C)CN(C)C(=O)C(N)=O)C(N)=O ZINC001283664305 775257831 /nfs/dbraw/zinc/25/78/31/775257831.db2.gz KPJBECVXCAPWSB-IUCAKERBSA-N 0 3 272.349 -1.048 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNCc1nnn(C)n1 ZINC001149134853 775259142 /nfs/dbraw/zinc/25/91/42/775259142.db2.gz NHGJQDAEXWTBGN-UHFFFAOYSA-N 0 3 278.320 -1.310 20 0 CAADHN CNC(=O)CN(C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001267602882 775261073 /nfs/dbraw/zinc/26/10/73/775261073.db2.gz IINGKLCRGGAMQD-UHFFFAOYSA-N 0 3 270.333 -1.612 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001207440450 775263652 /nfs/dbraw/zinc/26/36/52/775263652.db2.gz CLNDAYHCPCDGKR-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(C)N1CCN(CCN(C)C(=O)C(N)=O)CC1 ZINC001267612522 775264109 /nfs/dbraw/zinc/26/41/09/775264109.db2.gz NYVIXIMGENWGFC-UHFFFAOYSA-N 0 3 256.350 -1.044 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001207440449 775264371 /nfs/dbraw/zinc/26/43/71/775264371.db2.gz CLNDAYHCPCDGKR-NEPJUHHUSA-N 0 3 296.371 -1.066 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149272485 775271319 /nfs/dbraw/zinc/27/13/19/775271319.db2.gz GRZMMFBDJGQREY-SNVBAGLBSA-N 0 3 289.332 -1.458 20 0 CAADHN Cc1c(NC(=O)[C@@H]2COC3(CNC3)CN2)cnn1C ZINC001218505093 775271524 /nfs/dbraw/zinc/27/15/24/775271524.db2.gz LNIBQQBOEKNECJ-JTQLQIEISA-N 0 3 265.317 -1.003 20 0 CAADHN COC(=O)NCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149272484 775271688 /nfs/dbraw/zinc/27/16/88/775271688.db2.gz GRZMMFBDJGQREY-JTQLQIEISA-N 0 3 289.332 -1.458 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCN(CCO)C1 ZINC001267622278 775273470 /nfs/dbraw/zinc/27/34/70/775273470.db2.gz SUPHYXKQGJGLAM-ZJUUUORDSA-N 0 3 298.343 -1.453 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001267629063 775274296 /nfs/dbraw/zinc/27/42/96/775274296.db2.gz LLAXXXIACMEIOF-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001267629062 775274342 /nfs/dbraw/zinc/27/43/42/775274342.db2.gz LLAXXXIACMEIOF-SRVKXCTJSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001267629060 775274393 /nfs/dbraw/zinc/27/43/93/775274393.db2.gz LLAXXXIACMEIOF-QJPTWQEYSA-N 0 3 299.371 -1.290 20 0 CAADHN CCCCS(=O)(=O)NCC(=O)NCCNCC(N)=O ZINC001149173342 775274549 /nfs/dbraw/zinc/27/45/49/775274549.db2.gz ROQHTWNGQQTBTC-UHFFFAOYSA-N 0 3 294.377 -2.103 20 0 CAADHN COCCN1C[C@@H]2CCN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001075531491 775274748 /nfs/dbraw/zinc/27/47/48/775274748.db2.gz NYQADIDPLCZYKL-WDEREUQCSA-N 0 3 280.332 -1.148 20 0 CAADHN C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001267639203 775276581 /nfs/dbraw/zinc/27/65/81/775276581.db2.gz ZVYLZLFKCWYOER-IUCAKERBSA-N 0 3 270.333 -1.484 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CC(=O)NC1=O ZINC001283725559 775277981 /nfs/dbraw/zinc/27/79/81/775277981.db2.gz XSVBRUNLDVBYJT-RKDXNWHRSA-N 0 3 298.343 -1.778 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N1CCN2CCC1CC2 ZINC000188637944 775281360 /nfs/dbraw/zinc/28/13/60/775281360.db2.gz IQMJGUXTKGDUQG-UHFFFAOYSA-N 0 3 266.301 -1.155 20 0 CAADHN C[C@@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001267681897 775282916 /nfs/dbraw/zinc/28/29/16/775282916.db2.gz BRTBTYJYLFUQNI-YUMQZZPRSA-N 0 3 299.331 -2.165 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCC1CN(CCCO)C1 ZINC001267687515 775285346 /nfs/dbraw/zinc/28/53/46/775285346.db2.gz GNJPSTXDRRQSSQ-VIFPVBQESA-N 0 3 257.334 -1.072 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001267687351 775285965 /nfs/dbraw/zinc/28/59/65/775285965.db2.gz CHNFFOGUFXMTMB-QWRGUYRKSA-N 0 3 285.344 -1.822 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001267687352 775286333 /nfs/dbraw/zinc/28/63/33/775286333.db2.gz CHNFFOGUFXMTMB-WDEREUQCSA-N 0 3 285.344 -1.822 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001267698339 775287725 /nfs/dbraw/zinc/28/77/25/775287725.db2.gz FBTRVCXTCPFWRK-SCZZXKLOSA-N 0 3 298.343 -1.597 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267698338 775287832 /nfs/dbraw/zinc/28/78/32/775287832.db2.gz FBTRVCXTCPFWRK-PSASIEDQSA-N 0 3 298.343 -1.597 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)NCC1CN(CCCO)C1 ZINC001267699175 775288362 /nfs/dbraw/zinc/28/83/62/775288362.db2.gz WGFBJPWKZZGQJH-SNVBAGLBSA-N 0 3 298.343 -1.595 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001267698340 775288592 /nfs/dbraw/zinc/28/85/92/775288592.db2.gz FBTRVCXTCPFWRK-WCBMZHEXSA-N 0 3 298.343 -1.597 20 0 CAADHN C[C@H]1OCC[C@H]1CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219634039 775289474 /nfs/dbraw/zinc/28/94/74/775289474.db2.gz JXTNSMZYADPERU-VWYCJHECSA-N 0 3 269.345 -1.142 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)CN1CCCC[C@H](N)C1=O ZINC001219558184 775290560 /nfs/dbraw/zinc/29/05/60/775290560.db2.gz LVDVLHSBPDEKDB-KXUCPTDWSA-N 0 3 273.333 -1.816 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001267729228 775291114 /nfs/dbraw/zinc/29/11/14/775291114.db2.gz YNVZVZNVCUFCMP-COPLHBTASA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001267729232 775291699 /nfs/dbraw/zinc/29/16/99/775291699.db2.gz YNVZVZNVCUFCMP-MJVIPROJSA-N 0 3 299.371 -1.290 20 0 CAADHN NC(=O)NCC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001149135898 775291888 /nfs/dbraw/zinc/29/18/88/775291888.db2.gz AKGBPMIXKWNCDJ-JTQLQIEISA-N 0 3 288.348 -1.756 20 0 CAADHN C[C@@](O)(CC(=O)NCCNCC(=O)NC(N)=O)C1CC1 ZINC001125867083 775293474 /nfs/dbraw/zinc/29/34/74/775293474.db2.gz ZPOUFRXWTFJQHZ-GFCCVEGCSA-N 0 3 286.332 -1.562 20 0 CAADHN O=C(NC[C@H]1C[C@@H](O)C1)[C@H]1COC2(CNC2)CN1 ZINC001220191809 775294271 /nfs/dbraw/zinc/29/42/71/775294271.db2.gz QJHRGBKCHPDNBO-KXUCPTDWSA-N 0 3 255.318 -1.796 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CCOC1 ZINC001220020678 775294639 /nfs/dbraw/zinc/29/46/39/775294639.db2.gz RFDTVEQVJTVGFL-DTWKUNHWSA-N 0 3 258.322 -1.085 20 0 CAADHN C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220252225 775295976 /nfs/dbraw/zinc/29/59/76/775295976.db2.gz RSNHTBSKPRLSQC-IUCAKERBSA-N 0 3 267.337 -1.330 20 0 CAADHN C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220252225 775295986 /nfs/dbraw/zinc/29/59/86/775295986.db2.gz RSNHTBSKPRLSQC-IUCAKERBSA-N 0 3 267.337 -1.330 20 0 CAADHN C[N@@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220252225 775295992 /nfs/dbraw/zinc/29/59/92/775295992.db2.gz RSNHTBSKPRLSQC-IUCAKERBSA-N 0 3 267.337 -1.330 20 0 CAADHN C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220252225 775295998 /nfs/dbraw/zinc/29/59/98/775295998.db2.gz RSNHTBSKPRLSQC-IUCAKERBSA-N 0 3 267.337 -1.330 20 0 CAADHN NC(=O)CCNC(=O)CN1CCCC[C@H](N)C1=O ZINC001220274380 775296053 /nfs/dbraw/zinc/29/60/53/775296053.db2.gz ABTLZLDRQFPTMB-QMMMGPOBSA-N 0 3 256.306 -1.682 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104810449 775297160 /nfs/dbraw/zinc/29/71/60/775297160.db2.gz RXTZZSOYNGVFIJ-RKDXNWHRSA-N 0 3 280.332 -1.022 20 0 CAADHN O=C(NCS(=O)(=O)[O-])[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220240184 775297772 /nfs/dbraw/zinc/29/77/72/775297772.db2.gz GNMGFHLSMCLATQ-QMMMGPOBSA-N 0 3 277.346 -1.178 20 0 CAADHN O=C(NCS(=O)(=O)[O-])[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001220240184 775297776 /nfs/dbraw/zinc/29/77/76/775297776.db2.gz GNMGFHLSMCLATQ-QMMMGPOBSA-N 0 3 277.346 -1.178 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001267748039 775299766 /nfs/dbraw/zinc/29/97/66/775299766.db2.gz MMTOYKUXYOEKHZ-ZJUUUORDSA-N 0 3 270.333 -1.105 20 0 CAADHN CN(C(=O)Cn1ncnn1)[C@@H]1CCN(CCOCCO)C1 ZINC001267761926 775300561 /nfs/dbraw/zinc/30/05/61/775300561.db2.gz BANQVQNUUHIIIO-LLVKDONJSA-N 0 3 298.347 -1.785 20 0 CAADHN CN(C(=O)Cn1ncnn1)[C@H]1CCN(CCOCCO)C1 ZINC001267761931 775300651 /nfs/dbraw/zinc/30/06/51/775300651.db2.gz BANQVQNUUHIIIO-NSHDSACASA-N 0 3 298.347 -1.785 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](CC)NCC(N)=O ZINC001267801813 775302967 /nfs/dbraw/zinc/30/29/67/775302967.db2.gz YBYDCHXMHQRAFE-MRVPVSSYSA-N 0 3 258.322 -1.518 20 0 CAADHN CC[C@H](CNC(=O)C(C)(C)C(N)=O)NCC(N)=O ZINC001267804713 775303390 /nfs/dbraw/zinc/30/33/90/775303390.db2.gz ACUDZJAMVWWXFH-SSDOTTSWSA-N 0 3 258.322 -1.532 20 0 CAADHN CC[C@H](CNC(=O)CC(N)=O)NCC(=O)N1CCC1 ZINC001267798743 775303494 /nfs/dbraw/zinc/30/34/94/775303494.db2.gz HMEUAPQLLCBHOS-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CC[C@H](CNC(=O)CC(N)=O)NCC(=O)NC1CC1 ZINC001267798730 775303780 /nfs/dbraw/zinc/30/37/80/775303780.db2.gz HKUXYCSZJATWNR-MRVPVSSYSA-N 0 3 270.333 -1.375 20 0 CAADHN CC[C@@H](CNC(=O)C(C)(C)C(N)=O)NCC(N)=O ZINC001267804715 775303818 /nfs/dbraw/zinc/30/38/18/775303818.db2.gz ACUDZJAMVWWXFH-ZETCQYMHSA-N 0 3 258.322 -1.532 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](CC)NCC(N)=O ZINC001267801814 775304510 /nfs/dbraw/zinc/30/45/10/775304510.db2.gz YBYDCHXMHQRAFE-QMMMGPOBSA-N 0 3 258.322 -1.518 20 0 CAADHN CC[C@@H](CNC(=O)CC(N)=O)NCC(=O)N1CCC1 ZINC001267798744 775304594 /nfs/dbraw/zinc/30/45/94/775304594.db2.gz HMEUAPQLLCBHOS-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)N[C@@H](C)C(N)=O ZINC001267796264 775304722 /nfs/dbraw/zinc/30/47/22/775304722.db2.gz LKMUQUUSMCQBDY-JGVFFNPUSA-N 0 3 269.309 -1.969 20 0 CAADHN CC[C@H](CNC(=O)C(=O)NCC(F)F)NCC(=O)NC ZINC001267810832 775305902 /nfs/dbraw/zinc/30/59/02/775305902.db2.gz MOBXEJAOAQPXOS-SSDOTTSWSA-N 0 3 294.302 -1.402 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCCNC1=O)NCC(N)=O ZINC001267807431 775305979 /nfs/dbraw/zinc/30/59/79/775305979.db2.gz WUNURLORMHHXOF-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCOCC1)C(N)=O ZINC001125897593 775306819 /nfs/dbraw/zinc/30/68/19/775306819.db2.gz NVRXRRYADQLLCJ-SECBINFHSA-N 0 3 258.322 -2.102 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCOCC1)C(=O)NC1CC1 ZINC001125897750 775306867 /nfs/dbraw/zinc/30/68/67/775306867.db2.gz RCHFYTFACIUXQV-LLVKDONJSA-N 0 3 298.387 -1.309 20 0 CAADHN CC[C@H](CNC(=O)[C@]1(CC)CCNC1=O)NCC(N)=O ZINC001267807579 775307136 /nfs/dbraw/zinc/30/71/36/775307136.db2.gz YWULQQYLMMZMLP-NOZJJQNGSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NCc1cncn1C ZINC001267817598 775307169 /nfs/dbraw/zinc/30/71/69/775307169.db2.gz ORAHLEMOMCADES-MRVPVSSYSA-N 0 3 253.306 -1.110 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NCC(=O)N1CCOCC1 ZINC001267817928 775308032 /nfs/dbraw/zinc/30/80/32/775308032.db2.gz VIEHYGIFGRNDJP-SECBINFHSA-N 0 3 286.332 -2.185 20 0 CAADHN CC[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+]CC(N)=O ZINC001267825745 775308275 /nfs/dbraw/zinc/30/82/75/775308275.db2.gz DAOOYUFCULMJCE-SSDOTTSWSA-N 0 3 254.294 -1.683 20 0 CAADHN CC[C@@H](CNC(=O)C1(C(N)=O)CC1)N[C@@H](C)C(N)=O ZINC001267817267 775308485 /nfs/dbraw/zinc/30/84/85/775308485.db2.gz KOISTMMUQNHUTE-YUMQZZPRSA-N 0 3 270.333 -1.390 20 0 CAADHN CC[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+]CC(N)=O ZINC001267825746 775308595 /nfs/dbraw/zinc/30/85/95/775308595.db2.gz DAOOYUFCULMJCE-ZETCQYMHSA-N 0 3 254.294 -1.683 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cncn1)NCC(N)=O ZINC001267824599 775308652 /nfs/dbraw/zinc/30/86/52/775308652.db2.gz FEMIOXIQKRFSDR-QMMMGPOBSA-N 0 3 254.294 -1.752 20 0 CAADHN CC[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+]CC(=O)NC ZINC001267826751 775308888 /nfs/dbraw/zinc/30/88/88/775308888.db2.gz LWSCBDZAYMXSEJ-QMMMGPOBSA-N 0 3 268.321 -1.422 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)C1(C(N)=O)CC1 ZINC001267818044 775309251 /nfs/dbraw/zinc/30/92/51/775309251.db2.gz XKKSPVVSZICIBB-SECBINFHSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCOCC1)C(=O)N(C)C ZINC001125906518 775310198 /nfs/dbraw/zinc/31/01/98/775310198.db2.gz VTAMYJNBPQMMEP-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN O=C(CN1CCOCC1)NCCN[C@@H]1CCNC1=O ZINC001125903173 775310471 /nfs/dbraw/zinc/31/04/71/775310471.db2.gz PEWRVJLDOROJLA-SNVBAGLBSA-N 0 3 270.333 -2.087 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCOCC1)C(=O)N(C)C ZINC001125906519 775310568 /nfs/dbraw/zinc/31/05/68/775310568.db2.gz VTAMYJNBPQMMEP-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CN2CCOCC2)C1=O ZINC001125906425 775310743 /nfs/dbraw/zinc/31/07/43/775310743.db2.gz IRCJHGGTKIZAOT-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN O=C(CN1CCOCC1)NCCN[C@H]1CCNC1=O ZINC001125903171 775310946 /nfs/dbraw/zinc/31/09/46/775310946.db2.gz PEWRVJLDOROJLA-JTQLQIEISA-N 0 3 270.333 -2.087 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CN2CCOCC2)C1=O ZINC001125906424 775311105 /nfs/dbraw/zinc/31/11/05/775311105.db2.gz IRCJHGGTKIZAOT-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN NCC(=O)NCC(=O)NCCCN1CCOCC1 ZINC000037626124 775318843 /nfs/dbraw/zinc/31/88/43/775318843.db2.gz YRHKNCRBVQPBQA-UHFFFAOYSA-N 0 3 258.322 -2.100 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@@H]1CCCNC1=O)C1CC1 ZINC001267855511 775311300 /nfs/dbraw/zinc/31/13/00/775311300.db2.gz CLNYFGSUPWNFIN-QMTHXVAHSA-N 0 3 296.371 -1.128 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CN1CCOCC1 ZINC001125903233 775311413 /nfs/dbraw/zinc/31/14/13/775311413.db2.gz QOUQMJIACGLOSL-UHFFFAOYSA-N 0 3 286.376 -1.449 20 0 CAADHN COCCN1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136204 775312159 /nfs/dbraw/zinc/31/21/59/775312159.db2.gz FAFVCFSDCJPWQY-JTQLQIEISA-N 0 3 288.348 -1.492 20 0 CAADHN CCN1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149136199 775312551 /nfs/dbraw/zinc/31/25/51/775312551.db2.gz DZEWSZYNGRGZNK-VIFPVBQESA-N 0 3 258.322 -1.118 20 0 CAADHN C[C@@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)n1cncn1 ZINC001125911143 775313891 /nfs/dbraw/zinc/31/38/91/775313891.db2.gz MPAOLZARBAETOF-DTWKUNHWSA-N 0 3 294.315 -1.650 20 0 CAADHN C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC000974392541 775314370 /nfs/dbraw/zinc/31/43/70/775314370.db2.gz DWRRGRBICOIULM-LPEHRKFASA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC000974392540 775314426 /nfs/dbraw/zinc/31/44/26/775314426.db2.gz DWRRGRBICOIULM-BBBLOLIVSA-N 0 3 282.344 -1.281 20 0 CAADHN O=S(=O)(NCCN1CCCS1(=O)=O)C1CNC1 ZINC000721711831 775315804 /nfs/dbraw/zinc/31/58/04/775315804.db2.gz YEBMQKLRZLVFJL-UHFFFAOYSA-N 0 3 283.375 -2.087 20 0 CAADHN Cc1nscc1C(=O)NCCNCC(=O)NC(N)=O ZINC001125931039 775316802 /nfs/dbraw/zinc/31/68/02/775316802.db2.gz PQRPBXSGAGPONC-UHFFFAOYSA-N 0 3 285.329 -1.034 20 0 CAADHN C[C@@H](C(=O)NCCN[C@H]1CCCNC1=O)n1cncn1 ZINC001125931036 775317021 /nfs/dbraw/zinc/31/70/21/775317021.db2.gz POFQRLRQMNKHDU-UWVGGRQHSA-N 0 3 280.332 -1.177 20 0 CAADHN C[C@H](C(=O)NCCN[C@H]1CCCNC1=O)n1cncn1 ZINC001125931038 775317543 /nfs/dbraw/zinc/31/75/43/775317543.db2.gz POFQRLRQMNKHDU-ZJUUUORDSA-N 0 3 280.332 -1.177 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 ZINC001207490711 775317758 /nfs/dbraw/zinc/31/77/58/775317758.db2.gz VUKBBXBHWVUGGM-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)n1cncn1 ZINC001125931394 775319041 /nfs/dbraw/zinc/31/90/41/775319041.db2.gz UDAAGHIKPZPDMK-MRVPVSSYSA-N 0 3 297.319 -2.000 20 0 CAADHN CCNC(=O)CC(=O)NCCNCC(=O)NC(C)C ZINC001126002010 775338838 /nfs/dbraw/zinc/33/88/38/775338838.db2.gz ANSUFFYKFXCZDT-UHFFFAOYSA-N 0 3 272.349 -1.257 20 0 CAADHN CN1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)C1=O ZINC001267962660 775320115 /nfs/dbraw/zinc/32/01/15/775320115.db2.gz HNPGMZFSHBHLRN-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@@H]2CNCC(N)=O)CCC1 ZINC001267971359 775320200 /nfs/dbraw/zinc/32/02/00/775320200.db2.gz SNQFASREGUNYDB-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN CN1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)C1=O ZINC001267962661 775321017 /nfs/dbraw/zinc/32/10/17/775321017.db2.gz HNPGMZFSHBHLRN-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1COCCN1C)C(=O)N(C)C ZINC001125944498 775321086 /nfs/dbraw/zinc/32/10/86/775321086.db2.gz CWSWKUXWCYCZIK-GHMZBOCLSA-N 0 3 286.376 -1.501 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1COCCN1C)C(=O)N(C)C ZINC001125944499 775321185 /nfs/dbraw/zinc/32/11/85/775321185.db2.gz CWSWKUXWCYCZIK-MNOVXSKESA-N 0 3 286.376 -1.501 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001125944462 775321269 /nfs/dbraw/zinc/32/12/69/775321269.db2.gz CFASFSKSWPVWJJ-MRVPVSSYSA-N 0 3 287.320 -2.782 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1COCCN1C ZINC001125946021 775321929 /nfs/dbraw/zinc/32/19/29/775321929.db2.gz RBIUUYZFGGZOFA-UWVGGRQHSA-N 0 3 272.349 -1.843 20 0 CAADHN CN(C)C(=O)CC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114945359 775322199 /nfs/dbraw/zinc/32/21/99/775322199.db2.gz NCJGYYZESKUMDM-YABSGUDNSA-N 0 3 299.371 -1.480 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1COCCN1C)C(N)=O ZINC001125945110 775322276 /nfs/dbraw/zinc/32/22/76/775322276.db2.gz IWEPRSJQWMHEOU-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1COCCN1C ZINC001125946019 775322398 /nfs/dbraw/zinc/32/23/98/775322398.db2.gz RBIUUYZFGGZOFA-NXEZZACHSA-N 0 3 272.349 -1.843 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2COCCN2C)C1=O ZINC001125945539 775323105 /nfs/dbraw/zinc/32/31/05/775323105.db2.gz NXGIRQIZFWHWAY-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1COCCN1C)C(=O)NC1CC1 ZINC001125947049 775323371 /nfs/dbraw/zinc/32/33/71/775323371.db2.gz ZSHVNSXNULKZTC-CMPLNLGQSA-N 0 3 298.387 -1.310 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1COCCN1C)C(N)=O ZINC001125945827 775323465 /nfs/dbraw/zinc/32/34/65/775323465.db2.gz PSDQKLHLWGKAOL-RKDXNWHRSA-N 0 3 258.322 -2.103 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@H]2COCCN2C)cn1 ZINC001125956048 775326753 /nfs/dbraw/zinc/32/67/53/775326753.db2.gz GCUWYVJGTOWTKB-GFCCVEGCSA-N 0 3 281.360 -1.044 20 0 CAADHN CN1CCOC[C@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001125955681 775327496 /nfs/dbraw/zinc/32/74/96/775327496.db2.gz CFOZKOFECKNUQJ-LBPRGKRZSA-N 0 3 298.387 -1.451 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@H]1COCCN1C ZINC001125956588 775327831 /nfs/dbraw/zinc/32/78/31/775327831.db2.gz LQHLOQHDBWQBEG-GFCCVEGCSA-N 0 3 281.360 -1.044 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1COCCN1C ZINC001125956905 775328159 /nfs/dbraw/zinc/32/81/59/775328159.db2.gz RHWHKCZUBFPVCP-VIFPVBQESA-N 0 3 258.322 -2.231 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1COCCN1C ZINC001125960856 775328223 /nfs/dbraw/zinc/32/82/23/775328223.db2.gz PVLMYUFBEZZXLP-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001125956870 775328364 /nfs/dbraw/zinc/32/83/64/775328364.db2.gz QACOUXMBGJFRIZ-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001125960791 775328683 /nfs/dbraw/zinc/32/86/83/775328683.db2.gz OLZIDUSHYKWVPQ-GHMZBOCLSA-N 0 3 284.360 -1.699 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@@H](C)C(N)=O ZINC001268008716 775330021 /nfs/dbraw/zinc/33/00/21/775330021.db2.gz KKYQZNGSCDGIRA-SFYZADRCSA-N 0 3 268.321 -1.437 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001125961967 775330799 /nfs/dbraw/zinc/33/07/99/775330799.db2.gz ZMQPEWJMNPAUIQ-NXEZZACHSA-N 0 3 298.343 -2.172 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1COCCN1C ZINC001125961520 775331384 /nfs/dbraw/zinc/33/13/84/775331384.db2.gz WDODPEDPKZHBHU-LLVKDONJSA-N 0 3 286.376 -1.453 20 0 CAADHN CCS(=O)(=O)NCCNC[C@@H](C)N(C)C(=O)C(N)=O ZINC001268080141 775374211 /nfs/dbraw/zinc/37/42/11/775374211.db2.gz HRSCDIJODXHECY-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N(CCO)CCNCCF)O1 ZINC001279831072 775336295 /nfs/dbraw/zinc/33/62/95/775336295.db2.gz UITINWSMASNQQV-VHSXEESVSA-N 0 3 291.323 -1.601 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@H]1CCNC1=O ZINC001126003011 775337505 /nfs/dbraw/zinc/33/75/05/775337505.db2.gz SEHICZQJGDJGMR-QMMMGPOBSA-N 0 3 256.306 -1.893 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001126002918 775337643 /nfs/dbraw/zinc/33/76/43/775337643.db2.gz PEDIAHRTKJGFBA-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001126002619 775338220 /nfs/dbraw/zinc/33/82/20/775338220.db2.gz KWESNMZPWAJXIG-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CC(=O)NCC ZINC001126002673 775338366 /nfs/dbraw/zinc/33/83/66/775338366.db2.gz NFZFMRMKGWNJRR-UHFFFAOYSA-N 0 3 272.349 -1.255 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@@H]1CCNC1=O ZINC001126003009 775338677 /nfs/dbraw/zinc/33/86/77/775338677.db2.gz SEHICZQJGDJGMR-MRVPVSSYSA-N 0 3 256.306 -1.893 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@@H](CC)C(N)=O ZINC001126007609 775338806 /nfs/dbraw/zinc/33/88/06/775338806.db2.gz POQHVYBXKIOSSM-QMMMGPOBSA-N 0 3 258.322 -1.518 20 0 CAADHN Cn1cc(CNCCNC(=O)CN2CN=NC2=O)cn1 ZINC001126021250 775339372 /nfs/dbraw/zinc/33/93/72/775339372.db2.gz IUVIVFUEVKYKJG-UHFFFAOYSA-N 0 3 279.304 -1.377 20 0 CAADHN CNC(=O)CCCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126015517 775340057 /nfs/dbraw/zinc/34/00/57/775340057.db2.gz JMKLVNRWPIGZJP-SECBINFHSA-N 0 3 298.343 -1.586 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001126011597 775340203 /nfs/dbraw/zinc/34/02/03/775340203.db2.gz JFPRVUMDXCVKPE-SECBINFHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CCCC(=O)NCCN[C@H](C)C(=O)NC ZINC001126015347 775340282 /nfs/dbraw/zinc/34/02/82/775340282.db2.gz GGWHXTJBWXXYNZ-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN Cn1cncc1CNCCNC(=O)CN1CN=NC1=O ZINC001126020865 775340502 /nfs/dbraw/zinc/34/05/02/775340502.db2.gz DTUAKNFRTYRKPW-UHFFFAOYSA-N 0 3 279.304 -1.377 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@H](C)C(=O)NC ZINC001126007163 775340632 /nfs/dbraw/zinc/34/06/32/775340632.db2.gz IYZQZNWOKVAYNO-MRVPVSSYSA-N 0 3 258.322 -1.647 20 0 CAADHN CNC(=O)CCCC(=O)NCCNCC(=O)N1CCC1 ZINC001126011576 775340867 /nfs/dbraw/zinc/34/08/67/775340867.db2.gz IECOTBBGTXUMRJ-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN CNC(=O)CCCC(=O)NCCNCC(=O)N(C)C ZINC001126015228 775340913 /nfs/dbraw/zinc/34/09/13/775340913.db2.gz ANAIUPGMTXPSNJ-UHFFFAOYSA-N 0 3 272.349 -1.303 20 0 CAADHN CNC(=O)CCCC(=O)NCCN[C@H](C)C(N)=O ZINC001126015812 775340981 /nfs/dbraw/zinc/34/09/81/775340981.db2.gz TUFNYEPESRVQEV-MRVPVSSYSA-N 0 3 258.322 -1.518 20 0 CAADHN COCC(=O)NCC1(O)CN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001041164702 775341183 /nfs/dbraw/zinc/34/11/83/775341183.db2.gz GYKFPXFJRMQSQY-LBPRGKRZSA-N 0 3 299.371 -1.338 20 0 CAADHN O=C(CN1CN=NC1=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126027366 775341560 /nfs/dbraw/zinc/34/15/60/775341560.db2.gz PWSQZYFFUDAGJM-ZETCQYMHSA-N 0 3 296.287 -2.505 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126027296 775342095 /nfs/dbraw/zinc/34/20/95/775342095.db2.gz OHJNMDCCKLHGOV-VIFPVBQESA-N 0 3 298.347 -1.396 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126026675 775342175 /nfs/dbraw/zinc/34/21/75/775342175.db2.gz FIMRQVAMGCUKSL-UHFFFAOYSA-N 0 3 270.293 -2.174 20 0 CAADHN O=C(CN1CN=NC1=O)NCCNCC(=O)N1CCC1 ZINC001126021487 775342589 /nfs/dbraw/zinc/34/25/89/775342589.db2.gz NCIRFIAJTIDLOX-UHFFFAOYSA-N 0 3 282.304 -2.078 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CN=NC1=O)C(N)=O ZINC001126027044 775342929 /nfs/dbraw/zinc/34/29/29/775342929.db2.gz MWOKLUGEUBKIFC-ZCFIWIBFSA-N 0 3 256.266 -2.437 20 0 CAADHN O=C(CNCCNC(=O)CN1CN=NC1=O)NCC1CC1 ZINC001126021485 775343039 /nfs/dbraw/zinc/34/30/39/775343039.db2.gz NAVBVUMOTFUJQT-UHFFFAOYSA-N 0 3 296.331 -1.784 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CN=NC1=O)C(=O)NC(N)=O ZINC001126033126 775344130 /nfs/dbraw/zinc/34/41/30/775344130.db2.gz OEVOCGKXJLXYEB-ZCFIWIBFSA-N 0 3 299.291 -2.727 20 0 CAADHN CO[C@@H](C)CCC(=O)NCCNCC(=O)NC(N)=O ZINC001126043924 775344921 /nfs/dbraw/zinc/34/49/21/775344921.db2.gz TZVVEVKTILAOBC-QMMMGPOBSA-N 0 3 274.321 -1.298 20 0 CAADHN COc1cc(C(=O)NCCN[C@@H]2CCNC2=O)on1 ZINC001126037084 775345166 /nfs/dbraw/zinc/34/51/66/775345166.db2.gz PCVZODWCQPMQCD-SSDOTTSWSA-N 0 3 268.273 -1.109 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn(C)c1N)C(N)=O ZINC001126086028 775345575 /nfs/dbraw/zinc/34/55/75/775345575.db2.gz CAHWOVPQOVBWSO-LURJTMIESA-N 0 3 254.294 -1.805 20 0 CAADHN COc1cc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)on1 ZINC001126074582 775345751 /nfs/dbraw/zinc/34/57/51/775345751.db2.gz ZNLJQOKFLTUZGO-ZETCQYMHSA-N 0 3 296.283 -1.192 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1cnn(C)c1N ZINC001126086272 775346892 /nfs/dbraw/zinc/34/68/92/775346892.db2.gz HRKWKCTXHWMXTE-UHFFFAOYSA-N 0 3 282.348 -1.200 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1cnn(C)c1N ZINC001126099231 775347564 /nfs/dbraw/zinc/34/75/64/775347564.db2.gz INLJPOPMPQCMDD-UHFFFAOYSA-N 0 3 282.348 -1.152 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1cncnc1 ZINC001126109744 775347633 /nfs/dbraw/zinc/34/76/33/775347633.db2.gz BMQMRSDONSRLPF-UHFFFAOYSA-N 0 3 287.345 -1.655 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn(C)c1N)C(=O)NC1CC1 ZINC001126093927 775347838 /nfs/dbraw/zinc/34/78/38/775347838.db2.gz VPIIRUXVDJGBLE-MRVPVSSYSA-N 0 3 294.359 -1.011 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn(C)c1N)C(=O)NC1CC1 ZINC001126093928 775347925 /nfs/dbraw/zinc/34/79/25/775347925.db2.gz VPIIRUXVDJGBLE-QMMMGPOBSA-N 0 3 294.359 -1.011 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cncnc1 ZINC001126104058 775348183 /nfs/dbraw/zinc/34/81/83/775348183.db2.gz JHLQPWFTESYRTO-VIFPVBQESA-N 0 3 277.284 -1.399 20 0 CAADHN CC[C@H](NCCNC(=O)c1cnn(C)c1N)C(N)=O ZINC001126104375 775348380 /nfs/dbraw/zinc/34/83/80/775348380.db2.gz ODYNGBMESMTSLB-QMMMGPOBSA-N 0 3 268.321 -1.414 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)c1N ZINC001126099678 775348609 /nfs/dbraw/zinc/34/86/09/775348609.db2.gz SVYVZZNNZZLYIX-QMMMGPOBSA-N 0 3 294.315 -1.873 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnn(C)c1N ZINC001126099152 775348727 /nfs/dbraw/zinc/34/87/27/775348727.db2.gz GTKAGKKAPSOVOG-UHFFFAOYSA-N 0 3 268.321 -1.542 20 0 CAADHN O=C([C@@H]1COCCO1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075569215 775349665 /nfs/dbraw/zinc/34/96/65/775349665.db2.gz JQKRIPHBFBHQRK-TUAOUCFPSA-N 0 3 270.329 -1.073 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C1=CCOCC1 ZINC001126114867 775350720 /nfs/dbraw/zinc/35/07/20/775350720.db2.gz ORAOJKKGEJJPNN-UHFFFAOYSA-N 0 3 284.316 -1.506 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)C1=CCOCC1 ZINC001126115383 775351151 /nfs/dbraw/zinc/35/11/51/775351151.db2.gz YMCCRVNKNULWPE-JTQLQIEISA-N 0 3 253.302 -1.073 20 0 CAADHN CNC(=O)C[NH2+]C1CC(CNC(=O)Cc2nnc[n-]2)C1 ZINC001100851880 775351407 /nfs/dbraw/zinc/35/14/07/775351407.db2.gz LAGMGJUJOPBRGD-UHFFFAOYSA-N 0 3 280.332 -1.422 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)C1=CCOCC1 ZINC001126139988 775352076 /nfs/dbraw/zinc/35/20/76/775352076.db2.gz BPMRYXCLQNSZJV-UHFFFAOYSA-N 0 3 291.373 -1.412 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001126159630 775352475 /nfs/dbraw/zinc/35/24/75/775352475.db2.gz OHCGLBJAHLFTPW-ZCFIWIBFSA-N 0 3 273.293 -2.588 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NCC(C)C ZINC001126158287 775352681 /nfs/dbraw/zinc/35/26/81/775352681.db2.gz DIBSRPVXYNXXOP-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001126159629 775352860 /nfs/dbraw/zinc/35/28/60/775352860.db2.gz OHCGLBJAHLFTPW-LURJTMIESA-N 0 3 273.293 -2.588 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)N1CCCCC1 ZINC001126154070 775352880 /nfs/dbraw/zinc/35/28/80/775352880.db2.gz VBVFTYFZLAIXOX-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)CC(=O)NC ZINC001126153088 775352966 /nfs/dbraw/zinc/35/29/66/775352966.db2.gz ARLFZAXFKJPWJX-UHFFFAOYSA-N 0 3 294.377 -2.232 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001126159960 775353360 /nfs/dbraw/zinc/35/33/60/775353360.db2.gz XCEKKHURYWUBMN-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001126161342 775353582 /nfs/dbraw/zinc/35/35/82/775353582.db2.gz IFXOUACUHYLCDU-UHFFFAOYSA-N 0 3 286.332 -2.313 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001126161095 775353702 /nfs/dbraw/zinc/35/37/02/775353702.db2.gz DLUDFXLXYAGSQX-UHFFFAOYSA-N 0 3 299.331 -2.184 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)N1CCC1 ZINC001126161802 775354251 /nfs/dbraw/zinc/35/42/51/775354251.db2.gz VNRQNFSIPZTYQL-UHFFFAOYSA-N 0 3 256.306 -1.939 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)N[C@@H](C)C(C)C ZINC001126161371 775354525 /nfs/dbraw/zinc/35/45/25/775354525.db2.gz JAQFEWQMTLFCED-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NCCCOC ZINC001126161806 775354639 /nfs/dbraw/zinc/35/46/39/775354639.db2.gz VQGKZLPXXCIKKY-UHFFFAOYSA-N 0 3 288.348 -2.019 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)CC(=O)NC ZINC001126161568 775354657 /nfs/dbraw/zinc/35/46/57/775354657.db2.gz QCAVGTVMFDDPBC-UHFFFAOYSA-N 0 3 272.349 -1.303 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@@H]1CCN(C(C)C)C1=O ZINC001126159916 775354786 /nfs/dbraw/zinc/35/47/86/775354786.db2.gz VPQLEIHWXREUMB-SNVBAGLBSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126169755 775355650 /nfs/dbraw/zinc/35/56/50/775355650.db2.gz NVJAHHOYGWCRNS-ZETCQYMHSA-N 0 3 270.289 -2.367 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001126169046 775355695 /nfs/dbraw/zinc/35/56/95/775355695.db2.gz DOHKLWZCFQELDT-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN Cc1nc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)co1 ZINC001126180252 775356568 /nfs/dbraw/zinc/35/65/68/775356568.db2.gz YYRUWHCPPLCUDI-LURJTMIESA-N 0 3 283.288 -1.114 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001126175451 775356591 /nfs/dbraw/zinc/35/65/91/775356591.db2.gz UAFJALMUPRDOCH-MRVPVSSYSA-N 0 3 258.322 -1.695 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1coc(C)n1 ZINC001126175159 775356873 /nfs/dbraw/zinc/35/68/73/775356873.db2.gz MVCRMDNWJDJTIQ-UHFFFAOYSA-N 0 3 283.288 -1.242 20 0 CAADHN Cc1nc(C(=O)NCCNCC(=O)NC(N)=O)co1 ZINC001126174709 775357077 /nfs/dbraw/zinc/35/70/77/775357077.db2.gz BWVUVRUQRFYGAZ-UHFFFAOYSA-N 0 3 269.261 -1.503 20 0 CAADHN CCn1nccc1C(=O)NCCNCC(=O)NC(N)=O ZINC001126184136 775357890 /nfs/dbraw/zinc/35/78/90/775357890.db2.gz FOVCRNDQNPFTIQ-UHFFFAOYSA-N 0 3 282.304 -1.583 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H](C)NC(N)=O ZINC001126195232 775358399 /nfs/dbraw/zinc/35/83/99/775358399.db2.gz QEVAMMWNEKVHED-VIFPVBQESA-N 0 3 287.364 -1.479 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)NC(N)=O)C(=O)N(C)C ZINC001126195875 775359390 /nfs/dbraw/zinc/35/93/90/775359390.db2.gz VOVMCIPHXLNGOM-YUMQZZPRSA-N 0 3 273.337 -1.774 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001126195092 775359801 /nfs/dbraw/zinc/35/98/01/775359801.db2.gz NUTHGTNFRJPXID-JGVFFNPUSA-N 0 3 271.321 -2.020 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)NC(N)=O ZINC001126199574 775360380 /nfs/dbraw/zinc/36/03/80/775360380.db2.gz WCHIWQHMVGSVAI-BDAKNGLRSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)NC(N)=O)C(=O)NC1CC1 ZINC001126199848 775361350 /nfs/dbraw/zinc/36/13/50/775361350.db2.gz YQJBWMKZKCOVCX-SFYZADRCSA-N 0 3 285.348 -1.584 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@H](C)NC(N)=O ZINC001126204817 775361685 /nfs/dbraw/zinc/36/16/85/775361685.db2.gz YEJUBSRJTPFJJG-VIFPVBQESA-N 0 3 287.364 -1.384 20 0 CAADHN CCn1nccc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001126204624 775361948 /nfs/dbraw/zinc/36/19/48/775361948.db2.gz SBRNUDFRVBELBZ-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001126203964 775362257 /nfs/dbraw/zinc/36/22/57/775362257.db2.gz CTUQDMMZHJZHHT-BQBZGAKWSA-N 0 3 257.294 -2.363 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001126204037 775362277 /nfs/dbraw/zinc/36/22/77/775362277.db2.gz FNFYMEKBWXUKTK-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126204235 775362736 /nfs/dbraw/zinc/36/27/36/775362736.db2.gz JSTZESUBLOLEHC-NKWVEPMBSA-N 0 3 285.304 -2.446 20 0 CAADHN C[C@@H](CN1CCCC1=O)NS(=O)(=O)C1CNC1 ZINC000722303849 775362816 /nfs/dbraw/zinc/36/28/16/775362816.db2.gz DBPFGCBPTNABJI-QMMMGPOBSA-N 0 3 261.347 -1.112 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126204234 775363105 /nfs/dbraw/zinc/36/31/05/775363105.db2.gz JSTZESUBLOLEHC-BQBZGAKWSA-N 0 3 285.304 -2.446 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@H]1COCCO1 ZINC001027766721 775363723 /nfs/dbraw/zinc/36/37/23/775363723.db2.gz UYXYZTLBTJVEMH-WDEREUQCSA-N 0 3 258.318 -1.025 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@@H]1COCCO1 ZINC001027766718 775364524 /nfs/dbraw/zinc/36/45/24/775364524.db2.gz UYXYZTLBTJVEMH-MNOVXSKESA-N 0 3 258.318 -1.025 20 0 CAADHN O=C(CC1OCCCO1)NCCN[C@H]1CCNC1=O ZINC001126224050 775366535 /nfs/dbraw/zinc/36/65/35/775366535.db2.gz GELRTLBANFCYGX-VIFPVBQESA-N 0 3 271.317 -1.266 20 0 CAADHN Cc1cc(C(=O)NCCNCC(=O)NC(N)=O)cnn1 ZINC001126250900 775368319 /nfs/dbraw/zinc/36/83/19/775368319.db2.gz OPJWMJAGTQCYDS-UHFFFAOYSA-N 0 3 280.288 -1.701 20 0 CAADHN O=C(CCn1ccnn1)NCCN[C@H]1CCNC1=O ZINC001126270223 775368473 /nfs/dbraw/zinc/36/84/73/775368473.db2.gz CMBFZZXJQIBVGE-VIFPVBQESA-N 0 3 266.305 -1.738 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)CCn2ccnn2)C1=O ZINC001126270240 775369030 /nfs/dbraw/zinc/36/90/30/775369030.db2.gz DCUQSDGLQNOZIS-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)cnn1 ZINC001126282008 775369374 /nfs/dbraw/zinc/36/93/74/775369374.db2.gz ZDVYKXSEPCOIRB-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCn1ccnn1 ZINC001126270559 775369471 /nfs/dbraw/zinc/36/94/71/775369471.db2.gz RWWCGFYPDKHFJU-UHFFFAOYSA-N 0 3 268.321 -1.490 20 0 CAADHN CC[C@H](NCCNC(=O)CCn1ccnn1)C(N)=O ZINC001126281334 775369606 /nfs/dbraw/zinc/36/96/06/775369606.db2.gz HLHSHTJJKQGLBW-VIFPVBQESA-N 0 3 268.321 -1.362 20 0 CAADHN CCN1CCC[C@H](NS(=O)(=O)C2CNC2)C1=O ZINC000722351104 775369738 /nfs/dbraw/zinc/36/97/38/775369738.db2.gz NJWWSRYWXCIMEU-VIFPVBQESA-N 0 3 261.347 -1.112 20 0 CAADHN O=C(CCn1ccnn1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126270645 775370438 /nfs/dbraw/zinc/37/04/38/775370438.db2.gz XBODSCLDWNOMQS-SECBINFHSA-N 0 3 294.315 -1.821 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCn1ccnn1 ZINC001126281957 775370481 /nfs/dbraw/zinc/37/04/81/775370481.db2.gz WZNRQQVDPBOZAY-SECBINFHSA-N 0 3 268.321 -1.492 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CNC(C)=O ZINC001268052097 775370600 /nfs/dbraw/zinc/37/06/00/775370600.db2.gz YVEAYSPDGBXCTO-QMMMGPOBSA-N 0 3 258.322 -1.695 20 0 CAADHN CCN1CCC[C@@H](NS(=O)(=O)C2CNC2)C1=O ZINC000722351103 775370771 /nfs/dbraw/zinc/37/07/71/775370771.db2.gz NJWWSRYWXCIMEU-SECBINFHSA-N 0 3 261.347 -1.112 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)CC(N)=O ZINC001268057572 775371158 /nfs/dbraw/zinc/37/11/58/775371158.db2.gz ZHXLYWLVPQMFQB-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001126287104 775371650 /nfs/dbraw/zinc/37/16/50/775371650.db2.gz AEYQPMGEEVBWQY-ZETCQYMHSA-N 0 3 256.306 -1.956 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cnn(C)c1N ZINC001268058923 775371731 /nfs/dbraw/zinc/37/17/31/775371731.db2.gz ICIFLNLMGNENNG-ZETCQYMHSA-N 0 3 268.321 -1.462 20 0 CAADHN CC(=O)N1CC(C(=O)NCCNCC(=O)NC(C)C)C1 ZINC001126287160 775371788 /nfs/dbraw/zinc/37/17/88/775371788.db2.gz BSWHRTPHIAEKTK-UHFFFAOYSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001126287135 775371812 /nfs/dbraw/zinc/37/18/12/775371812.db2.gz BARGTVDCNBQGLQ-SNVBAGLBSA-N 0 3 296.327 -2.024 20 0 CAADHN CC(=O)N1CC(C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001126287359 775371982 /nfs/dbraw/zinc/37/19/82/775371982.db2.gz HITCVWZBQOPSOH-UHFFFAOYSA-N 0 3 282.344 -1.597 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C1CN(C(C)=O)C1 ZINC001126287558 775372408 /nfs/dbraw/zinc/37/24/08/775372408.db2.gz MGSKZMGTPGTDIK-UHFFFAOYSA-N 0 3 299.331 -2.374 20 0 CAADHN CC(=O)N1CC(C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001126287436 775372476 /nfs/dbraw/zinc/37/24/76/775372476.db2.gz JHYIYFRUJHYNAD-UHFFFAOYSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)C(C)(C)C(N)=O ZINC001268067116 775372890 /nfs/dbraw/zinc/37/28/90/775372890.db2.gz CHKGCULEZAHCDB-HTQZYQBOSA-N 0 3 272.349 -1.192 20 0 CAADHN CC(=O)N1CC(C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001126287190 775373075 /nfs/dbraw/zinc/37/30/75/775373075.db2.gz DFLFANHEDPFDGV-UHFFFAOYSA-N 0 3 296.371 -1.207 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001126287445 775373191 /nfs/dbraw/zinc/37/31/91/775373191.db2.gz JJSNUOHWKSSYHW-SNVBAGLBSA-N 0 3 268.317 -1.941 20 0 CAADHN Cn1oc(C(=O)NCCN[C@H]2CCCNC2=O)cc1=O ZINC001126292327 775373849 /nfs/dbraw/zinc/37/38/49/775373849.db2.gz PRKOPYIHUPJBLL-QMMMGPOBSA-N 0 3 282.300 -1.424 20 0 CAADHN Cn1oc(C(=O)NCCN[C@@H]2CCCNC2=O)cc1=O ZINC001126292326 775374514 /nfs/dbraw/zinc/37/45/14/775374514.db2.gz PRKOPYIHUPJBLL-MRVPVSSYSA-N 0 3 282.300 -1.424 20 0 CAADHN CNC(=O)CNCCNC(=O)C1CN(C(C)=O)C1 ZINC001126287810 775374676 /nfs/dbraw/zinc/37/46/76/775374676.db2.gz SBYCMRROOJEUAX-UHFFFAOYSA-N 0 3 256.306 -2.084 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001268080742 775374733 /nfs/dbraw/zinc/37/47/33/775374733.db2.gz MCDGUMWARQQHOJ-RKDXNWHRSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CCN(C)C1=O ZINC001268080271 775374836 /nfs/dbraw/zinc/37/48/36/775374836.db2.gz HBNKVZMYHFBQBU-QWRGUYRKSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cc(=O)n(C)o1 ZINC001126292123 775374961 /nfs/dbraw/zinc/37/49/61/775374961.db2.gz KVQLTSRIPDGTND-UHFFFAOYSA-N 0 3 299.287 -2.247 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cc(=O)n(C)o1 ZINC001126297352 775376424 /nfs/dbraw/zinc/37/64/24/775376424.db2.gz OCGHLNRFPXOQTI-SSDOTTSWSA-N 0 3 270.289 -1.568 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@@H]2CCN(C)C2=O)C1 ZINC001126297327 775376934 /nfs/dbraw/zinc/37/69/34/775376934.db2.gz MWWRQTNRZMQDTC-LLVKDONJSA-N 0 3 282.344 -1.599 20 0 CAADHN Cn1oc(C(=O)NCCN[C@@H]2CCCN(C)C2=O)cc1=O ZINC001126292596 775377050 /nfs/dbraw/zinc/37/70/50/775377050.db2.gz WLKDWJGCEQJTCG-SECBINFHSA-N 0 3 296.327 -1.082 20 0 CAADHN Cn1oc(C(=O)NCCNCC(=O)NC2CC2)cc1=O ZINC001126292786 775377158 /nfs/dbraw/zinc/37/71/58/775377158.db2.gz XWTRSFBAWXVTHB-UHFFFAOYSA-N 0 3 282.300 -1.424 20 0 CAADHN C[C@@H](CNCCF)N(C)C(=O)CNS(=O)(=O)N(C)C ZINC001268085726 775377354 /nfs/dbraw/zinc/37/73/54/775377354.db2.gz IFHULNBALJYRDY-VIFPVBQESA-N 0 3 298.384 -1.212 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cc(=O)n(C)o1 ZINC001126297353 775377423 /nfs/dbraw/zinc/37/74/23/775377423.db2.gz OCGHLNRFPXOQTI-ZETCQYMHSA-N 0 3 270.289 -1.568 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@@H](C)C(=O)NC2CC2)C1 ZINC001126301925 775378027 /nfs/dbraw/zinc/37/80/27/775378027.db2.gz MEXNKACDKGLSED-VIFPVBQESA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccn(C)n1 ZINC001268099806 775378050 /nfs/dbraw/zinc/37/80/50/775378050.db2.gz IURQFZIVXSPSIS-MRVPVSSYSA-N 0 3 253.306 -1.045 20 0 CAADHN Cn1oc(C(=O)NCCNCC(=O)N2CCC2)cc1=O ZINC001126302029 775378893 /nfs/dbraw/zinc/37/88/93/775378893.db2.gz PINGXSKECKRENE-UHFFFAOYSA-N 0 3 282.300 -1.470 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc(=O)n(C)o1)C(=O)NC1CC1 ZINC001126306408 775379092 /nfs/dbraw/zinc/37/90/92/775379092.db2.gz GBKGKWVGBMOWTR-MRVPVSSYSA-N 0 3 296.327 -1.035 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@H](C)C(=O)NC2CC2)C1 ZINC001126301924 775379177 /nfs/dbraw/zinc/37/91/77/775379177.db2.gz MEXNKACDKGLSED-SECBINFHSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H]1CCCN(C(=O)CC(N)=O)[C@@H]1CNCC(N)=O ZINC001268189400 775383750 /nfs/dbraw/zinc/38/37/50/775383750.db2.gz UWYAYLOAZFJFGE-RKDXNWHRSA-N 0 3 270.333 -1.436 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@]1(C)CCNC1=O)C(C)C ZINC001268218005 775383986 /nfs/dbraw/zinc/38/39/86/775383986.db2.gz DSZDABFVAAUSGO-IINYFYTJSA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@@H]1OCCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001126332444 775384133 /nfs/dbraw/zinc/38/41/33/775384133.db2.gz GSRBFHTVXDXIEA-DTWKUNHWSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(N)=O)N[C@@H](C)C(=O)NC1CC1 ZINC001268217360 775384343 /nfs/dbraw/zinc/38/43/43/775384343.db2.gz VHCWSQGLTAJEJN-WCBMZHEXSA-N 0 3 284.360 -1.131 20 0 CAADHN CC(C)[C@H](CNC(=O)C(N)=O)NCC(=O)N(C)C1CC1 ZINC001268217340 775384366 /nfs/dbraw/zinc/38/43/66/775384366.db2.gz VDNDOVFYHTXHKR-JTQLQIEISA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H]1OCCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001126332443 775384514 /nfs/dbraw/zinc/38/45/14/775384514.db2.gz GSRBFHTVXDXIEA-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@@H]1OCCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001126332445 775384551 /nfs/dbraw/zinc/38/45/51/775384551.db2.gz GSRBFHTVXDXIEA-IUCAKERBSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(C)[C@@H](CNC(=O)c1cn(C)nn1)NCC(N)=O ZINC001268207114 775385056 /nfs/dbraw/zinc/38/50/56/775385056.db2.gz DTLFRPOSLJMUOW-MRVPVSSYSA-N 0 3 268.321 -1.356 20 0 CAADHN CC(C)[C@@H](CNC(=O)Cn1cnnn1)NCC(N)=O ZINC001268202720 775385076 /nfs/dbraw/zinc/38/50/76/775385076.db2.gz IXCYKCOQMPUMIC-MRVPVSSYSA-N 0 3 269.309 -2.111 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001282186162 775386220 /nfs/dbraw/zinc/38/62/20/775386220.db2.gz STIMPUZYONRMQE-RQJHMYQMSA-N 0 3 269.305 -1.293 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1CCNC1=O ZINC001268245177 775386996 /nfs/dbraw/zinc/38/69/96/775386996.db2.gz MMSZEONYPRAWHZ-MNOVXSKESA-N 0 3 287.360 -1.480 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1CCNC1=O ZINC001268245180 775387416 /nfs/dbraw/zinc/38/74/16/775387416.db2.gz MMSZEONYPRAWHZ-QWRGUYRKSA-N 0 3 287.360 -1.480 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)C(F)F ZINC001268294174 775392900 /nfs/dbraw/zinc/39/29/00/775392900.db2.gz KZOXLANLTLFRRB-RITPCOANSA-N 0 3 251.233 -1.793 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001282205452 775389086 /nfs/dbraw/zinc/38/90/86/775389086.db2.gz WRPQRNQKUNDFBN-RNFRBKRXSA-N 0 3 284.316 -1.993 20 0 CAADHN CC(C)NC(=O)CN1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001268266352 775390953 /nfs/dbraw/zinc/39/09/53/775390953.db2.gz LUVGCXVSAZFDJF-MNOVXSKESA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)NC(=O)CN1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001268266362 775391344 /nfs/dbraw/zinc/39/13/44/775391344.db2.gz LUVGCXVSAZFDJF-WDEREUQCSA-N 0 3 296.371 -1.081 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)C(F)F ZINC001268294172 775392105 /nfs/dbraw/zinc/39/21/05/775392105.db2.gz KZOXLANLTLFRRB-NTSWFWBYSA-N 0 3 251.233 -1.793 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)C(F)F ZINC001268294175 775392312 /nfs/dbraw/zinc/39/23/12/775392312.db2.gz KZOXLANLTLFRRB-WDSKDSINSA-N 0 3 251.233 -1.793 20 0 CAADHN CCS(=O)(=O)NCCNC[C@H](O)CNC(C)=O ZINC001268293653 775392503 /nfs/dbraw/zinc/39/25/03/775392503.db2.gz FTAPTJKABJAOQO-VIFPVBQESA-N 0 3 267.351 -1.988 20 0 CAADHN COCC(=O)NC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001268294420 775392684 /nfs/dbraw/zinc/39/26/84/775392684.db2.gz NIFKYEPYCRGOLI-MRVPVSSYSA-N 0 3 257.294 -1.674 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cc[n+]([O-])cc1 ZINC001268296416 775392706 /nfs/dbraw/zinc/39/27/06/775392706.db2.gz PDQYHKBYCKAYSF-NSHDSACASA-N 0 3 296.327 -1.864 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001268295288 775392743 /nfs/dbraw/zinc/39/27/43/775392743.db2.gz RLHHYDBLYBLQPH-RKDXNWHRSA-N 0 3 259.306 -2.070 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccc[nH]1)C(N)=O ZINC001268296810 775393176 /nfs/dbraw/zinc/39/31/76/775393176.db2.gz CZXJEXLGCJBJLW-BDAKNGLRSA-N 0 3 268.317 -1.041 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001268294421 775393204 /nfs/dbraw/zinc/39/32/04/775393204.db2.gz NIFKYEPYCRGOLI-QMMMGPOBSA-N 0 3 257.294 -1.674 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001268295287 775393212 /nfs/dbraw/zinc/39/32/12/775393212.db2.gz RLHHYDBLYBLQPH-IUCAKERBSA-N 0 3 259.306 -2.070 20 0 CAADHN CC(C)=CC(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001268294123 775393222 /nfs/dbraw/zinc/39/32/22/775393222.db2.gz DJYVZACWZOVZKJ-QMMMGPOBSA-N 0 3 272.305 -1.786 20 0 CAADHN CN(CCNC[C@H](O)CNC(=O)C1CC1)S(C)(=O)=O ZINC001268294871 775393283 /nfs/dbraw/zinc/39/32/83/775393283.db2.gz PGCBOAQUFZONOO-JTQLQIEISA-N 0 3 293.389 -1.646 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccc[nH]1)C(N)=O ZINC001268296811 775393293 /nfs/dbraw/zinc/39/32/93/775393293.db2.gz CZXJEXLGCJBJLW-DTWKUNHWSA-N 0 3 268.317 -1.041 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccn[nH]1 ZINC001268296144 775393304 /nfs/dbraw/zinc/39/33/04/775393304.db2.gz BQNRRFQILWLMHX-SFYZADRCSA-N 0 3 267.289 -2.022 20 0 CAADHN CS[C@@H](C)CC(=O)NC[C@H](O)CNCC(N)=O ZINC001268304234 775394337 /nfs/dbraw/zinc/39/43/37/775394337.db2.gz MDFARPOOTAJTRU-JGVFFNPUSA-N 0 3 263.363 -1.320 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cn[nH]c1 ZINC001268300700 775395289 /nfs/dbraw/zinc/39/52/89/775395289.db2.gz QMDJECMNUOETJP-IUCAKERBSA-N 0 3 267.289 -2.022 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001268308375 775396641 /nfs/dbraw/zinc/39/66/41/775396641.db2.gz OXSNTNWWPGWKHJ-DTWKUNHWSA-N 0 3 255.318 -1.258 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001268308590 775396704 /nfs/dbraw/zinc/39/67/04/775396704.db2.gz QNARIXQDIKYEBE-RNSXUZJQSA-N 0 3 257.290 -2.425 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001268308589 775396760 /nfs/dbraw/zinc/39/67/60/775396760.db2.gz QNARIXQDIKYEBE-LAEOZQHASA-N 0 3 257.290 -2.425 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001268305233 775397212 /nfs/dbraw/zinc/39/72/12/775397212.db2.gz UJWVGVCBWSCTBZ-LLVKDONJSA-N 0 3 297.359 -1.487 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001268306316 775397806 /nfs/dbraw/zinc/39/78/06/775397806.db2.gz WAKXPNDGFPXROL-RQJHMYQMSA-N 0 3 265.260 -1.546 20 0 CAADHN CC[C@]1(C(=O)NC[C@H](O)CNCCF)CCNC1=O ZINC001268307552 775398431 /nfs/dbraw/zinc/39/84/31/775398431.db2.gz HKPYWYHFVIRMGV-SKDRFNHKSA-N 0 3 275.324 -1.061 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001268306314 775398494 /nfs/dbraw/zinc/39/84/94/775398494.db2.gz WAKXPNDGFPXROL-RNFRBKRXSA-N 0 3 265.260 -1.546 20 0 CAADHN CC[C@@]1(C(=O)NC[C@H](O)CNCCF)CCNC1=O ZINC001268307549 775398724 /nfs/dbraw/zinc/39/87/24/775398724.db2.gz HKPYWYHFVIRMGV-BXKDBHETSA-N 0 3 275.324 -1.061 20 0 CAADHN NC(=O)C(=O)NC[C@@H](O)CNCc1cccnc1 ZINC001268320096 775401167 /nfs/dbraw/zinc/40/11/67/775401167.db2.gz AGVJVWFIDDGNBW-VIFPVBQESA-N 0 3 252.274 -1.866 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001268317062 775401228 /nfs/dbraw/zinc/40/12/28/775401228.db2.gz OYACFLJPLVQLHF-GMTAPVOTSA-N 0 3 269.345 -1.059 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@]1(C)CCNC1=O ZINC001268321860 775401684 /nfs/dbraw/zinc/40/16/84/775401684.db2.gz HKAJWOKDPNSGBV-QPUJVOFHSA-N 0 3 286.332 -2.675 20 0 CAADHN C[C@]1(C(=O)NC[C@H](O)CNCCF)CCC(=O)NC1 ZINC001268321587 775401698 /nfs/dbraw/zinc/40/16/98/775401698.db2.gz UCVCVRMUVFXJQK-SKDRFNHKSA-N 0 3 275.324 -1.061 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@]1(C)CCNC1=O ZINC001268321862 775401849 /nfs/dbraw/zinc/40/18/49/775401849.db2.gz HKAJWOKDPNSGBV-UFBFGSQYSA-N 0 3 286.332 -2.675 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@]1(C)CCNC1=O ZINC001268321859 775401953 /nfs/dbraw/zinc/40/19/53/775401953.db2.gz HKAJWOKDPNSGBV-PRHODGIISA-N 0 3 286.332 -2.675 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CNC(=O)C(N)=O)C1=O ZINC001268325182 775403039 /nfs/dbraw/zinc/40/30/39/775403039.db2.gz ZEURKBMXGFBPJG-HTQZYQBOSA-N 0 3 272.305 -2.841 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001268325185 775403109 /nfs/dbraw/zinc/40/31/09/775403109.db2.gz ZEURKBMXGFBPJG-YUMQZZPRSA-N 0 3 272.305 -2.841 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1ccco1 ZINC001268327382 775403746 /nfs/dbraw/zinc/40/37/46/775403746.db2.gz QTSJQOKFXPQCTD-QMMMGPOBSA-N 0 3 255.274 -1.626 20 0 CAADHN NC(=O)C(=O)NC[C@H](O)CNCC(=O)NCC1CC1 ZINC001268322448 775403773 /nfs/dbraw/zinc/40/37/73/775403773.db2.gz MAFYKUKZOOTNNJ-MRVPVSSYSA-N 0 3 272.305 -2.935 20 0 CAADHN CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)CNC(N)=O ZINC001211824778 775436091 /nfs/dbraw/zinc/43/60/91/775436091.db2.gz BGKLYDADVUKGJZ-RKDXNWHRSA-N 0 3 258.322 -1.122 20 0 CAADHN O=C(CCN1CCOCC1)NC[C@@H](O)CNCCF ZINC001268329181 775405548 /nfs/dbraw/zinc/40/55/48/775405548.db2.gz SMYJAKHQAOJXPI-NSHDSACASA-N 0 3 277.340 -1.255 20 0 CAADHN NC(=O)c1nccnc1C(=O)NC[C@H](O)CNCCF ZINC001268335505 775406351 /nfs/dbraw/zinc/40/63/51/775406351.db2.gz LSSVMVDCELZQHQ-SSDOTTSWSA-N 0 3 285.279 -1.775 20 0 CAADHN C[C@@H](CC[NH2+]CC(N)=O)NC(=O)c1cnc[n-]c1=O ZINC001268374968 775409956 /nfs/dbraw/zinc/40/99/56/775409956.db2.gz KBLVWECCHDYLDU-ZETCQYMHSA-N 0 3 267.289 -1.235 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207687814 775414652 /nfs/dbraw/zinc/41/46/52/775414652.db2.gz IYRVIODMZWFYBU-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)Cn1cccn1 ZINC001268434418 775414434 /nfs/dbraw/zinc/41/44/34/775414434.db2.gz FDWOVOGWAAACQQ-UHFFFAOYSA-N 0 3 296.331 -1.484 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207687816 775414471 /nfs/dbraw/zinc/41/44/71/775414471.db2.gz IYRVIODMZWFYBU-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)[C@@H]1COC(=O)N1 ZINC001268449206 775414560 /nfs/dbraw/zinc/41/45/60/775414560.db2.gz VONDHUYPJKZVKI-VIFPVBQESA-N 0 3 286.332 -1.379 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC001207704308 775415750 /nfs/dbraw/zinc/41/57/50/775415750.db2.gz CKIDHUYYFFGHSF-SECBINFHSA-N 0 3 292.343 -1.001 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001075632954 775415881 /nfs/dbraw/zinc/41/58/81/775415881.db2.gz WILOECKIKRTWBO-LPEHRKFASA-N 0 3 280.328 -1.717 20 0 CAADHN CN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)C1=O ZINC001075631659 775415977 /nfs/dbraw/zinc/41/59/77/775415977.db2.gz NKBOTQDTFBTNJW-HBNTYKKESA-N 0 3 294.355 -1.375 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC001207704310 775416043 /nfs/dbraw/zinc/41/60/43/775416043.db2.gz CKIDHUYYFFGHSF-VIFPVBQESA-N 0 3 292.343 -1.001 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cncn1C ZINC001268462859 775417449 /nfs/dbraw/zinc/41/74/49/775417449.db2.gz MSYXXQXVCKIADN-UHFFFAOYSA-N 0 3 253.306 -1.043 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001268456891 775417962 /nfs/dbraw/zinc/41/79/62/775417962.db2.gz QSHREUSPJVMFDE-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN CCN(CCNCC(=O)N1CCC1)C(=O)C1(C(N)=O)CC1 ZINC001268475315 775419497 /nfs/dbraw/zinc/41/94/97/775419497.db2.gz MZTZMZAWDJTJCD-UHFFFAOYSA-N 0 3 296.371 -1.078 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)c1nnn(C)n1 ZINC001268471854 775420635 /nfs/dbraw/zinc/42/06/35/775420635.db2.gz UHTQXXDHBGKMEX-UHFFFAOYSA-N 0 3 269.309 -1.992 20 0 CAADHN O=S(=O)(CCNS(=O)(=O)C1CNC1)N1CCCC1 ZINC000721745610 775420762 /nfs/dbraw/zinc/42/07/62/775420762.db2.gz SLKUXRXOZCQHIA-UHFFFAOYSA-N 0 3 297.402 -1.697 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)CCn1cnnn1 ZINC001268486699 775421239 /nfs/dbraw/zinc/42/12/39/775421239.db2.gz IVRKLMKKWIFMBR-UHFFFAOYSA-N 0 3 297.363 -1.411 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268502977 775423419 /nfs/dbraw/zinc/42/34/19/775423419.db2.gz NPOXFAORSRDNJL-IUCAKERBSA-N 0 3 298.343 -1.649 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268502976 775424449 /nfs/dbraw/zinc/42/44/49/775424449.db2.gz NPOXFAORSRDNJL-DTWKUNHWSA-N 0 3 298.343 -1.649 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268502586 775424535 /nfs/dbraw/zinc/42/45/35/775424535.db2.gz KYKMBWHNVPMGGH-SECBINFHSA-N 0 3 298.343 -1.777 20 0 CAADHN COCCC(=O)NC/C=C\CN[C@@H](C)C(=O)NC(N)=O ZINC001268503101 775424703 /nfs/dbraw/zinc/42/47/03/775424703.db2.gz RSXPSDORLSEXGH-TYRPZCRBSA-N 0 3 286.332 -1.132 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268502978 775424771 /nfs/dbraw/zinc/42/47/71/775424771.db2.gz NPOXFAORSRDNJL-RKDXNWHRSA-N 0 3 298.343 -1.649 20 0 CAADHN COCCC(=O)NC/C=C\CN[C@H](C)C(=O)NC(N)=O ZINC001268503102 775424786 /nfs/dbraw/zinc/42/47/86/775424786.db2.gz RSXPSDORLSEXGH-ZBJFTSOASA-N 0 3 286.332 -1.132 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@@H]1CCOC1)C(=O)NC(N)=O ZINC001268520457 775425755 /nfs/dbraw/zinc/42/57/55/775425755.db2.gz ASPILSNFJYKWRT-YLBDSCSXSA-N 0 3 298.343 -1.132 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@H]1CCOC1)C(=O)NC(N)=O ZINC001268520451 775426174 /nfs/dbraw/zinc/42/61/74/775426174.db2.gz ASPILSNFJYKWRT-ADLDAWLNSA-N 0 3 298.343 -1.132 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001214058551 775426307 /nfs/dbraw/zinc/42/63/07/775426307.db2.gz BDBVHWQTEKNKFK-FBIMIBRVSA-N 0 3 282.344 -1.553 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)c1cn(C)nn1)C(N)=O ZINC001268534016 775427285 /nfs/dbraw/zinc/42/72/85/775427285.db2.gz SQJWPVIEZJWOPW-VEMNSZJBSA-N 0 3 266.305 -1.436 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)CC(N)=O)C(=O)N(C)C ZINC001268522773 775427711 /nfs/dbraw/zinc/42/77/11/775427711.db2.gz KJJSWBWQRNLNNP-MOVJSRMASA-N 0 3 270.333 -1.400 20 0 CAADHN CC[C@@H](NC/C=C/CNC(=O)c1ncn(C)n1)C(N)=O ZINC001268532294 775427728 /nfs/dbraw/zinc/42/77/28/775427728.db2.gz IBOLFOGAWRQALQ-XNPJLODASA-N 0 3 280.332 -1.045 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)c1cn(C)nn1)C(N)=O ZINC001268534013 775428132 /nfs/dbraw/zinc/42/81/32/775428132.db2.gz SQJWPVIEZJWOPW-RTMURIBGSA-N 0 3 266.305 -1.436 20 0 CAADHN CC[C@@H](NC/C=C\CNC(=O)c1ncn(C)n1)C(N)=O ZINC001268532295 775428181 /nfs/dbraw/zinc/42/81/81/775428181.db2.gz IBOLFOGAWRQALQ-XRVBUDJMSA-N 0 3 280.332 -1.045 20 0 CAADHN CCC(=O)NCC(=O)NC/C=C\CN[C@@H](C)C(N)=O ZINC001268521714 775428247 /nfs/dbraw/zinc/42/82/47/775428247.db2.gz IKMBFDDXEUVIFR-WBSSQXGSSA-N 0 3 270.333 -1.352 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)CC(N)=O)C(=O)N(C)C ZINC001268522779 775428368 /nfs/dbraw/zinc/42/83/68/775428368.db2.gz KJJSWBWQRNLNNP-XRVBUDJMSA-N 0 3 270.333 -1.400 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001268560282 775431390 /nfs/dbraw/zinc/43/13/90/775431390.db2.gz XOISUSODCSHTDH-CDAZIORVSA-N 0 3 296.331 -2.282 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001083329868 775432166 /nfs/dbraw/zinc/43/21/66/775432166.db2.gz XSGDFGPZQIUZFW-MXWKQRLJSA-N 0 3 296.331 -2.129 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001268576231 775434780 /nfs/dbraw/zinc/43/47/80/775434780.db2.gz UIEUWHDFHHKOTI-HIYAPSCVSA-N 0 3 283.332 -1.854 20 0 CAADHN CC[C@@H](NC/C=C\CNC(=O)c1nnn(C)n1)C(N)=O ZINC001268577989 775434873 /nfs/dbraw/zinc/43/48/73/775434873.db2.gz GYEHXIFPUNSFKY-PULIVWKDSA-N 0 3 281.320 -1.650 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083330406 775435321 /nfs/dbraw/zinc/43/53/21/775435321.db2.gz UUAJTKFXUKYZMR-ZJUUUORDSA-N 0 3 266.305 -1.756 20 0 CAADHN CCCNC(=O)[C@H](C)NC/C=C\CNC(=O)C(N)=O ZINC001268585279 775436124 /nfs/dbraw/zinc/43/61/24/775436124.db2.gz NNIWRAWNQKVXGT-WBSSQXGSSA-N 0 3 270.333 -1.352 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001083331125 775436316 /nfs/dbraw/zinc/43/63/16/775436316.db2.gz VJFSAPXGBDZZQX-BDAKNGLRSA-N 0 3 254.294 -1.757 20 0 CAADHN CCCNC(=O)[C@@H](C)NC/C=C/CNC(=O)C(N)=O ZINC001268585280 775436589 /nfs/dbraw/zinc/43/65/89/775436589.db2.gz NNIWRAWNQKVXGT-XNPJLODASA-N 0 3 270.333 -1.352 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CNC(N)=O)[C@H](OC)C1 ZINC001211825796 775438562 /nfs/dbraw/zinc/43/85/62/775438562.db2.gz VTZXYXUHAHXJIV-NXEZZACHSA-N 0 3 288.348 -1.493 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CCNC(N)=O ZINC001103705935 775450772 /nfs/dbraw/zinc/45/07/72/775450772.db2.gz SLYFHIAADGOZAG-NXEZZACHSA-N 0 3 299.375 -1.396 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001083385445 775455467 /nfs/dbraw/zinc/45/54/67/775455467.db2.gz OFJBQAIBOHPKPL-GRYCIOLGSA-N 0 3 271.361 -1.112 20 0 CAADHN CN1CC[C@@H](NC/C=C\CNC(=O)CCNC(N)=O)C1=O ZINC001268623934 775459213 /nfs/dbraw/zinc/45/92/13/775459213.db2.gz URDAMNGRRORCSM-MXQLGCADSA-N 0 3 297.359 -1.463 20 0 CAADHN O=C(Cn1cncn1)NC/C=C/CN[C@@H]1CCCNC1=O ZINC001268618225 775459219 /nfs/dbraw/zinc/45/92/19/775459219.db2.gz DVAIDYDPFOZAKT-FMBMQGQPSA-N 0 3 292.343 -1.181 20 0 CAADHN O=C(Cn1cncn1)NC/C=C\CN[C@H]1CCCNC1=O ZINC001268618224 775459268 /nfs/dbraw/zinc/45/92/68/775459268.db2.gz DVAIDYDPFOZAKT-BVBSBALXSA-N 0 3 292.343 -1.181 20 0 CAADHN CCNC(=O)CNC/C=C\CNC(=O)Cc1nc[nH]n1 ZINC001268615092 775459321 /nfs/dbraw/zinc/45/93/21/775459321.db2.gz VYRLDAMRRGQSSF-ARJAWSKDSA-N 0 3 280.332 -1.255 20 0 CAADHN CCN1CCO[C@H](C(=O)NC/C=C\CNCC(N)=O)C1 ZINC001268628376 775459343 /nfs/dbraw/zinc/45/93/43/775459343.db2.gz MTOSUOOUGUTRPI-BYCRGOAPSA-N 0 3 284.360 -1.546 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001268623561 775459644 /nfs/dbraw/zinc/45/96/44/775459644.db2.gz OWQWIKZXEMADPG-YAJNLLPGSA-N 0 3 297.315 -2.326 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC/C=C\CNCC(N)=O)C1 ZINC001268628377 775459762 /nfs/dbraw/zinc/45/97/62/775459762.db2.gz MTOSUOOUGUTRPI-DLRQAJBASA-N 0 3 284.360 -1.546 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1ncccn1 ZINC001279868431 775459960 /nfs/dbraw/zinc/45/99/60/775459960.db2.gz IGPPLFPRLKVKAJ-UHFFFAOYSA-N 0 3 295.343 -1.411 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001268630987 775460250 /nfs/dbraw/zinc/46/02/50/775460250.db2.gz UOVJVGQXPNRQPA-XRVBUDJMSA-N 0 3 295.343 -1.527 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001268623560 775460379 /nfs/dbraw/zinc/46/03/79/775460379.db2.gz OWQWIKZXEMADPG-UFUPEUMYSA-N 0 3 297.315 -2.326 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001268623558 775460452 /nfs/dbraw/zinc/46/04/52/775460452.db2.gz OWQWIKZXEMADPG-KZUAUGPASA-N 0 3 297.315 -2.326 20 0 CAADHN COCC(=O)N[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001268632054 775461828 /nfs/dbraw/zinc/46/18/28/775461828.db2.gz FOEVNCDONRCHSC-SFYZADRCSA-N 0 3 257.290 -1.468 20 0 CAADHN Cn1nccc1CC(=O)NCCNCC(=O)NC1CC1 ZINC001126393330 775461189 /nfs/dbraw/zinc/46/11/89/775461189.db2.gz SALRLNOZOZRNJW-UHFFFAOYSA-N 0 3 279.344 -1.053 20 0 CAADHN CO[C@@H](C)C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001268638824 775461756 /nfs/dbraw/zinc/46/17/56/775461756.db2.gz FPOCJYXKKXUWKV-RQJHMYQMSA-N 0 3 260.294 -1.690 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001268635467 775462113 /nfs/dbraw/zinc/46/21/13/775462113.db2.gz DGOUONVWJGQVJJ-MRVPVSSYSA-N 0 3 269.309 -2.097 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)CC(N)=O ZINC001268640899 775462201 /nfs/dbraw/zinc/46/22/01/775462201.db2.gz YLXRRZVSXRCOOA-SSDOTTSWSA-N 0 3 256.306 -1.765 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CCNC1=O ZINC001268657501 775462543 /nfs/dbraw/zinc/46/25/43/775462543.db2.gz YCCFCKNIDQIFCL-KOLCDFICSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1CCNC1=O ZINC001268657502 775462634 /nfs/dbraw/zinc/46/26/34/775462634.db2.gz YCCFCKNIDQIFCL-MWLCHTKSSA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268648268 775462660 /nfs/dbraw/zinc/46/26/60/775462660.db2.gz AJPIJPZOVUPNGB-PRJMDXOYSA-N 0 3 299.331 -2.187 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001268647398 775462805 /nfs/dbraw/zinc/46/28/05/775462805.db2.gz QSAIVHPOXWDSNB-ZCFIWIBFSA-N 0 3 263.319 -2.389 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCc1ccncn1 ZINC001268647240 775463015 /nfs/dbraw/zinc/46/30/15/775463015.db2.gz VXURWGCTPFDDMV-SECBINFHSA-N 0 3 265.317 -1.011 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001268648693 775463958 /nfs/dbraw/zinc/46/39/58/775463958.db2.gz SJIOCOZZRBCOHD-SFYZADRCSA-N 0 3 299.331 -2.233 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001268671990 775464505 /nfs/dbraw/zinc/46/45/05/775464505.db2.gz PXBFQOXRJQSOIK-MRVPVSSYSA-N 0 3 299.331 -2.231 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](C)CN[C@H]2CCN(C)C2=O)CC1 ZINC001268664395 775464665 /nfs/dbraw/zinc/46/46/65/775464665.db2.gz CTHUNHUKNJSXHB-ZJUUUORDSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N1CCCCC1)NC(=O)C(N)=O ZINC001268660622 775464681 /nfs/dbraw/zinc/46/46/81/775464681.db2.gz SPPPZDWIKUJSLA-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C(=O)NCC1CC1 ZINC001268667822 775464885 /nfs/dbraw/zinc/46/48/85/775464885.db2.gz YMJJCBQCNZJAFV-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001268671447 775464946 /nfs/dbraw/zinc/46/49/46/775464946.db2.gz SKLFPSOVYAFJCH-CSMHCCOUSA-N 0 3 256.306 -1.767 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCn1cnnn1 ZINC001268667423 775464956 /nfs/dbraw/zinc/46/49/56/775464956.db2.gz UWUZWPPQNWJNSG-SFYZADRCSA-N 0 3 269.309 -1.969 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NCc1ccco1)NC(=O)C(N)=O ZINC001268660104 775464966 /nfs/dbraw/zinc/46/49/66/775464966.db2.gz FEQYJVLIAZAXDG-BDAKNGLRSA-N 0 3 296.327 -1.136 20 0 CAADHN C[C@H](CNCCN1CCCS1(=O)=O)NC(=O)C(N)=O ZINC001268660867 775465009 /nfs/dbraw/zinc/46/50/09/775465009.db2.gz YVBYOWVRBMCBTN-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001268660188 775465245 /nfs/dbraw/zinc/46/52/45/775465245.db2.gz NHPQVQRNUWMZBF-SSDOTTSWSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)Cc1ncc[nH]1 ZINC001268667262 775465490 /nfs/dbraw/zinc/46/54/90/775465490.db2.gz KYFHJNRYAGBBCP-BDAKNGLRSA-N 0 3 293.327 -1.148 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NCC(F)(F)F)NC(=O)C(N)=O ZINC001268660261 775465535 /nfs/dbraw/zinc/46/55/35/775465535.db2.gz JHDSOLJCAGLNJF-RITPCOANSA-N 0 3 298.265 -1.367 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001268683374 775466238 /nfs/dbraw/zinc/46/62/38/775466238.db2.gz WHHKYEJISIJXNN-XHNCKOQMSA-N 0 3 268.317 -1.752 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CS(C)(=O)=O)C(N)=O ZINC001268680461 775466544 /nfs/dbraw/zinc/46/65/44/775466544.db2.gz NDKWMOGBHNSCFW-NKWVEPMBSA-N 0 3 265.335 -2.001 20 0 CAADHN CO[C@H](C)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001268680102 775466777 /nfs/dbraw/zinc/46/67/77/775466777.db2.gz FPOCJYXKKXUWKV-NKWVEPMBSA-N 0 3 260.294 -1.690 20 0 CAADHN COCCCC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001268678495 775466977 /nfs/dbraw/zinc/46/69/77/775466977.db2.gz JWDLQIQEYPBRHQ-QMMMGPOBSA-N 0 3 274.321 -1.298 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ncn(C)n1)C(N)=O ZINC001268685777 775467195 /nfs/dbraw/zinc/46/71/95/775467195.db2.gz SBSMFVRJGZZUSF-NKWVEPMBSA-N 0 3 254.294 -1.603 20 0 CAADHN C[C@@H](CNCCS(C)(=O)=O)NC(=O)c1ncn(C)n1 ZINC001268685354 775467263 /nfs/dbraw/zinc/46/72/63/775467263.db2.gz LSDJBEKYRQVRIL-QMMMGPOBSA-N 0 3 289.361 -1.432 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)Cn1ccnc1 ZINC001268675766 775467277 /nfs/dbraw/zinc/46/72/77/775467277.db2.gz FSXPRUQFIPJTSN-ZJUUUORDSA-N 0 3 265.317 -1.134 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001268681802 775467342 /nfs/dbraw/zinc/46/73/42/775467342.db2.gz KKBRYBGTCKNQMS-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNCCS(C)(=O)=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001268681973 775467407 /nfs/dbraw/zinc/46/74/07/775467407.db2.gz IHGTTXSOSDKLNS-DTWKUNHWSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)C1=COCCO1 ZINC001268679541 775467450 /nfs/dbraw/zinc/46/74/50/775467450.db2.gz IIDZOHJXCCPNSA-DTWKUNHWSA-N 0 3 297.311 -1.226 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCc1cncnc1 ZINC001268695586 775467959 /nfs/dbraw/zinc/46/79/59/775467959.db2.gz YEIMIQWIKMVMBE-VIFPVBQESA-N 0 3 265.317 -1.011 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cc1ccnn1C ZINC001126397785 775468002 /nfs/dbraw/zinc/46/80/02/775468002.db2.gz IWNSJHXMPOXWEE-SECBINFHSA-N 0 3 267.333 -1.197 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCN(C)C1=O ZINC001268699708 775468272 /nfs/dbraw/zinc/46/82/72/775468272.db2.gz RZPUUWBKKZAWHQ-VHSXEESVSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCN(C)C1=O ZINC001268699701 775468300 /nfs/dbraw/zinc/46/83/00/775468300.db2.gz RZPUUWBKKZAWHQ-UWVGGRQHSA-N 0 3 284.360 -1.353 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCNC1=O ZINC001268690811 775468655 /nfs/dbraw/zinc/46/86/55/775468655.db2.gz ZBKOIMCICZKKTQ-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCNC1=O ZINC001268690813 775468826 /nfs/dbraw/zinc/46/88/26/775468826.db2.gz ZBKOIMCICZKKTQ-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)C(N)=O)C(=O)NCc1ccco1 ZINC001268700162 775468917 /nfs/dbraw/zinc/46/89/17/775468917.db2.gz FEQYJVLIAZAXDG-DTWKUNHWSA-N 0 3 296.327 -1.136 20 0 CAADHN NC(=O)C(NC(=O)[C@@H]1CNCc2ccccc21)C(N)=O ZINC000710084864 775468976 /nfs/dbraw/zinc/46/89/76/775468976.db2.gz ODNDXJYFGJRIEK-SECBINFHSA-N 0 3 276.296 -1.671 20 0 CAADHN Cc1cn(C)nc1C(=O)N[C@@H](C)CNCC(N)=O ZINC001268689262 775468986 /nfs/dbraw/zinc/46/89/86/775468986.db2.gz SYLHAECHNBFPNB-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268709600 775469804 /nfs/dbraw/zinc/46/98/04/775469804.db2.gz XDDFVMJJKHLXKO-QMMMGPOBSA-N 0 3 298.343 -1.730 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001268714388 775469811 /nfs/dbraw/zinc/46/98/11/775469811.db2.gz BDRVDQHRTAFLQA-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001268709564 775469830 /nfs/dbraw/zinc/46/98/30/775469830.db2.gz WOBFRRYCTJQWQU-ZETCQYMHSA-N 0 3 284.316 -2.121 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cnn(C)n1 ZINC001268708306 775469894 /nfs/dbraw/zinc/46/98/94/775469894.db2.gz AMDZAWYACLELBQ-JGVFFNPUSA-N 0 3 268.321 -1.343 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)CNCC(N)=O ZINC001268705710 775469967 /nfs/dbraw/zinc/46/99/67/775469967.db2.gz RYRDTTSGHOPPIG-IONNQARKSA-N 0 3 258.322 -1.519 20 0 CAADHN CC[C@@H](NCCNC(=O)Cc1ccnn1C)C(N)=O ZINC001126397836 775470474 /nfs/dbraw/zinc/47/04/74/775470474.db2.gz JJCWBQHEBQLXNP-SNVBAGLBSA-N 0 3 267.333 -1.068 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CN(C)CCO)C1 ZINC001268730853 775471354 /nfs/dbraw/zinc/47/13/54/775471354.db2.gz XGJJXXPUIRJAEW-VIFPVBQESA-N 0 3 257.334 -1.107 20 0 CAADHN Cn1nccc1CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126398112 775471782 /nfs/dbraw/zinc/47/17/82/775471782.db2.gz QIXQQIIGPBQAEB-JTQLQIEISA-N 0 3 293.327 -1.526 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)CC(N)=O ZINC001268726452 775472136 /nfs/dbraw/zinc/47/21/36/775472136.db2.gz QGTQPGUJGCNYRW-VIFPVBQESA-N 0 3 268.321 -1.410 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CN1C(=O)CCC1=O ZINC001268714912 775472688 /nfs/dbraw/zinc/47/26/88/775472688.db2.gz TYOZXSTWXGSBMQ-VIFPVBQESA-N 0 3 298.343 -1.682 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](C)CN(C)CCO)CC1 ZINC001268749684 775473382 /nfs/dbraw/zinc/47/33/82/775473382.db2.gz CBPRWPJBDNNOOI-VIFPVBQESA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@H](CN(C)C[C@H](O)Cn1cccn1)NC(=O)C(N)=O ZINC001268746375 775474315 /nfs/dbraw/zinc/47/43/15/775474315.db2.gz MJPXRUMZJRYSFG-ZJUUUORDSA-N 0 3 283.332 -1.834 20 0 CAADHN CC(=O)NCC(=O)N(C)CCCNCc1cnnn1C ZINC001268776786 775474327 /nfs/dbraw/zinc/47/43/27/775474327.db2.gz XYSJIGZBTDZJIW-UHFFFAOYSA-N 0 3 282.348 -1.111 20 0 CAADHN C[C@@H](CC(=O)N[C@@H]1CCN(CCO)C1)NC(N)=O ZINC001269129709 775492528 /nfs/dbraw/zinc/49/25/28/775492528.db2.gz PVNPONSZIBDTST-DTWKUNHWSA-N 0 3 258.322 -1.384 20 0 CAADHN CCn1cnc(C(=O)N(CCO)CCNCC(N)=O)c1 ZINC001279887014 775476634 /nfs/dbraw/zinc/47/66/34/775476634.db2.gz XLZXEOQMMAUONJ-UHFFFAOYSA-N 0 3 283.332 -1.588 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1ccn(C)n1 ZINC001279901840 775481365 /nfs/dbraw/zinc/48/13/65/775481365.db2.gz UHRGAIXJTLMBIN-UHFFFAOYSA-N 0 3 297.359 -1.468 20 0 CAADHN CN1CCN(CCC(=O)N2CC3(C[C@@H]3C(N)=O)C2)CC1 ZINC001269030781 775484127 /nfs/dbraw/zinc/48/41/27/775484127.db2.gz XWSMLQSGLALTPV-LLVKDONJSA-N 0 3 280.372 -1.042 20 0 CAADHN CN1CCN(CCC(=O)N2CC3(C[C@H]3C(N)=O)C2)CC1 ZINC001269030782 775484296 /nfs/dbraw/zinc/48/42/96/775484296.db2.gz XWSMLQSGLALTPV-NSHDSACASA-N 0 3 280.372 -1.042 20 0 CAADHN CN(C)CCN1C[C@]2(CCN(C(=O)CCO)C2)OCC1=O ZINC001269048782 775485580 /nfs/dbraw/zinc/48/55/80/775485580.db2.gz YNFPYHBHBWXBMJ-CQSZACIVSA-N 0 3 299.371 -1.240 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)c1ccn[nH]1)C1CC1 ZINC001269044685 775485611 /nfs/dbraw/zinc/48/56/11/775485611.db2.gz RXYLQSALNJPYBI-VIFPVBQESA-N 0 3 251.290 -1.007 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001269052220 775485697 /nfs/dbraw/zinc/48/56/97/775485697.db2.gz YIENVSKSCXXCID-AXFHLTTASA-N 0 3 285.344 -1.680 20 0 CAADHN CN(C)CCN1C[C@@]2(CCN(C(=O)CCO)C2)OCC1=O ZINC001269048781 775485704 /nfs/dbraw/zinc/48/57/04/775485704.db2.gz YNFPYHBHBWXBMJ-AWEZNQCLSA-N 0 3 299.371 -1.240 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001269052222 775487135 /nfs/dbraw/zinc/48/71/35/775487135.db2.gz YIENVSKSCXXCID-GARJFASQSA-N 0 3 285.344 -1.680 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)CC(N)=O)C1CC1 ZINC001269055625 775487476 /nfs/dbraw/zinc/48/74/76/775487476.db2.gz DUMHBPBRAUOTFO-SECBINFHSA-N 0 3 270.333 -1.566 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C1CC=CC1 ZINC001284401050 775488723 /nfs/dbraw/zinc/48/87/23/775488723.db2.gz JNXLXOZVFBZDQY-SNVBAGLBSA-N 0 3 255.318 -1.153 20 0 CAADHN CN1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001269086802 775489273 /nfs/dbraw/zinc/48/92/73/775489273.db2.gz MZIIDZYPLNPDIS-CIUDSAMLSA-N 0 3 266.301 -1.111 20 0 CAADHN CN1CC2(C1)CCN(C(=O)CN(CCO)CCO)CC2 ZINC001269094454 775489463 /nfs/dbraw/zinc/48/94/63/775489463.db2.gz HDNADIOXXGJERR-UHFFFAOYSA-N 0 3 285.388 -1.173 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)CN(CCO)CCO)C2 ZINC001269095316 775489648 /nfs/dbraw/zinc/48/96/48/775489648.db2.gz PXVMNAASXMGNKS-NEPJUHHUSA-N 0 3 271.361 -1.565 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H]1CCCNC1=O)C1CC1 ZINC001269080037 775489679 /nfs/dbraw/zinc/48/96/79/775489679.db2.gz XBKGWWIUQRKEKT-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN Cn1cnc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)n1 ZINC001269066816 775489768 /nfs/dbraw/zinc/48/97/68/775489768.db2.gz MJTZNEUPQUWVNS-QMMMGPOBSA-N 0 3 266.305 -1.602 20 0 CAADHN CC[C@H](NC[C@H](NC(=O)C(N)=O)C1CC1)C(N)=O ZINC001269111874 775490114 /nfs/dbraw/zinc/49/01/14/775490114.db2.gz XHCFFOQUIKWQMP-YUMQZZPRSA-N 0 3 256.306 -1.780 20 0 CAADHN NC(=O)C(=O)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001269110116 775490132 /nfs/dbraw/zinc/49/01/32/775490132.db2.gz KEKSPZVOOWZANG-JGVFFNPUSA-N 0 3 254.290 -2.155 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H](CNCCF)C1CC1 ZINC001269099282 775490313 /nfs/dbraw/zinc/49/03/13/775490313.db2.gz KHERFIZGLPWWJZ-NSHDSACASA-N 0 3 286.351 -1.128 20 0 CAADHN CC[C@H](NC[C@@H](NC(=O)C(N)=O)C1CC1)C(N)=O ZINC001269111871 775490470 /nfs/dbraw/zinc/49/04/70/775490470.db2.gz XHCFFOQUIKWQMP-JGVFFNPUSA-N 0 3 256.306 -1.780 20 0 CAADHN C[C@H](NCCNC(=O)Cc1ccnn1C)C(=O)NC(N)=O ZINC001126403248 775491558 /nfs/dbraw/zinc/49/15/58/775491558.db2.gz ZOUHGCXUPGZQOH-QMMMGPOBSA-N 0 3 296.331 -1.748 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001269156340 775491704 /nfs/dbraw/zinc/49/17/04/775491704.db2.gz YIENVSKSCXXCID-OUAUKWLOSA-N 0 3 285.344 -1.680 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1ccnn1C)C(=O)NC(N)=O ZINC001126403247 775491834 /nfs/dbraw/zinc/49/18/34/775491834.db2.gz ZOUHGCXUPGZQOH-MRVPVSSYSA-N 0 3 296.331 -1.748 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cc1cncnc1 ZINC001126402860 775492063 /nfs/dbraw/zinc/49/20/63/775492063.db2.gz IZMXSCGSJCLBOO-UHFFFAOYSA-N 0 3 265.317 -1.187 20 0 CAADHN C[C@H](CC(=O)N[C@@H]1CCN(CCO)C1)NC(N)=O ZINC001269129710 775492591 /nfs/dbraw/zinc/49/25/91/775492591.db2.gz PVNPONSZIBDTST-RKDXNWHRSA-N 0 3 258.322 -1.384 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001269117208 775492615 /nfs/dbraw/zinc/49/26/15/775492615.db2.gz YAKDKLRWALVYGS-VGMNWLOBSA-N 0 3 268.317 -1.923 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001269110857 775492757 /nfs/dbraw/zinc/49/27/57/775492757.db2.gz PBGQUGYESMETHL-YUMQZZPRSA-N 0 3 269.305 -2.363 20 0 CAADHN CNC(=O)C(=O)N1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001269179642 775493494 /nfs/dbraw/zinc/49/34/94/775493494.db2.gz CRZOVKDUOAHPBQ-AWEZNQCLSA-N 0 3 296.371 -1.255 20 0 CAADHN CNC(=O)C(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001269179914 775494011 /nfs/dbraw/zinc/49/40/11/775494011.db2.gz MUPKLDSOTMVEPH-UHFFFAOYSA-N 0 3 298.343 -2.266 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C(N)=O ZINC001284444540 775497526 /nfs/dbraw/zinc/49/75/26/775497526.db2.gz KZVMZYWDKWWBDZ-NKWVEPMBSA-N 0 3 258.278 -3.231 20 0 CAADHN C[C@@H](O)C(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001269259446 775498662 /nfs/dbraw/zinc/49/86/62/775498662.db2.gz ZFSGWZYPFBENQT-SNVBAGLBSA-N 0 3 285.344 -1.631 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cc1cncnc1 ZINC001126406585 775499896 /nfs/dbraw/zinc/49/98/96/775499896.db2.gz DUIYMICHSSPQTR-UHFFFAOYSA-N 0 3 265.317 -1.139 20 0 CAADHN CN(C(=O)CC[C@H]1NC(=O)NC1=O)[C@@H]1CCN(CCO)C1 ZINC001269293669 775501884 /nfs/dbraw/zinc/50/18/84/775501884.db2.gz ZQSARUCLCCEANF-NXEZZACHSA-N 0 3 298.343 -1.500 20 0 CAADHN CCN(C(=O)Cn1cnnn1)[C@@H]1CCN(CCO)C1 ZINC001269306826 775502189 /nfs/dbraw/zinc/50/21/89/775502189.db2.gz JLGNHSWYYJFFBV-SNVBAGLBSA-N 0 3 268.321 -1.412 20 0 CAADHN CCN(C(=O)Cn1cnnn1)[C@H]1CCN(CCO)C1 ZINC001269306825 775502376 /nfs/dbraw/zinc/50/23/76/775502376.db2.gz JLGNHSWYYJFFBV-JTQLQIEISA-N 0 3 268.321 -1.412 20 0 CAADHN C[C@H](NCCNC(=O)Cc1cncnc1)C(N)=O ZINC001126408169 775502567 /nfs/dbraw/zinc/50/25/67/775502567.db2.gz VAFONUQATJCQGT-QMMMGPOBSA-N 0 3 251.290 -1.401 20 0 CAADHN CN(C(=O)CC[C@H]1NC(=O)NC1=O)[C@H]1CCN(CCO)C1 ZINC001269293671 775502602 /nfs/dbraw/zinc/50/26/02/775502602.db2.gz ZQSARUCLCCEANF-VHSXEESVSA-N 0 3 298.343 -1.500 20 0 CAADHN CC[C@H](CNC(=O)C(F)F)NCC(=O)NC(N)=O ZINC001269361344 775505100 /nfs/dbraw/zinc/50/51/00/775505100.db2.gz VNGDOLGSXQSRRZ-RXMQYKEDSA-N 0 3 266.248 -1.069 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(C)nn1)NCC(N)=O ZINC001269396195 775505320 /nfs/dbraw/zinc/50/53/20/775505320.db2.gz CWRLLHHZNUBAQH-ZETCQYMHSA-N 0 3 254.294 -1.602 20 0 CAADHN CC[C@H](CNC(=O)c1cn(C)nn1)NCC(N)=O ZINC001269396193 775505336 /nfs/dbraw/zinc/50/53/36/775505336.db2.gz CWRLLHHZNUBAQH-SSDOTTSWSA-N 0 3 254.294 -1.602 20 0 CAADHN CCn1ccnc1C(=O)NCCNCC(=O)NC ZINC001126412318 775505399 /nfs/dbraw/zinc/50/53/99/775505399.db2.gz ANBXVVLIEVNKGP-UHFFFAOYSA-N 0 3 253.306 -1.032 20 0 CAADHN CC[C@H](NCCNC(=O)Cc1cncnc1)C(N)=O ZINC001126412937 775505611 /nfs/dbraw/zinc/50/56/11/775505611.db2.gz HUBNJWJKYDRSFI-JTQLQIEISA-N 0 3 265.317 -1.011 20 0 CAADHN CC[C@H](CNC(=O)C1(C(N)=O)CC1)N[C@@H]1CCN(C)C1=O ZINC001269460333 775507974 /nfs/dbraw/zinc/50/79/74/775507974.db2.gz HBUJZEOKDQTTBA-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)N[C@H]1CCCNC1=O ZINC001269460931 775508094 /nfs/dbraw/zinc/50/80/94/775508094.db2.gz MECBJJBCWPQOHB-YUMQZZPRSA-N 0 3 256.306 -1.765 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCNC1=O)NCC(=O)NC1CC1 ZINC001269447969 775508125 /nfs/dbraw/zinc/50/81/25/775508125.db2.gz HOIIREIUODJGDP-KOLCDFICSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@@H](CNC(=O)C1(C(N)=O)CC1)N[C@H]1CCN(C)C1=O ZINC001269460335 775508193 /nfs/dbraw/zinc/50/81/93/775508193.db2.gz HBUJZEOKDQTTBA-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)N[C@H]1CCCNC1=O ZINC001269460930 775508413 /nfs/dbraw/zinc/50/84/13/775508413.db2.gz MECBJJBCWPQOHB-SFYZADRCSA-N 0 3 256.306 -1.765 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)N[C@@H]1CCCNC1=O ZINC001269460929 775508608 /nfs/dbraw/zinc/50/86/08/775508608.db2.gz MECBJJBCWPQOHB-JGVFFNPUSA-N 0 3 256.306 -1.765 20 0 CAADHN CC[C@H](CNC(=O)CN1C(=O)CNC1=O)NCCF ZINC001269503063 775509717 /nfs/dbraw/zinc/50/97/17/775509717.db2.gz NJMJOLRXLZTYHY-MRVPVSSYSA-N 0 3 274.296 -1.008 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@@H]2CCN(C)C2=O)CC1)C(N)=O ZINC001269476226 775509733 /nfs/dbraw/zinc/50/97/33/775509733.db2.gz YQFXYXYMRINHOQ-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN O=C(NCC1(N[C@H]2CCC(=O)NC2=O)CC1)c1cnon1 ZINC001269508646 775509917 /nfs/dbraw/zinc/50/99/17/775509917.db2.gz NYFPZQYZOCNRFK-ZETCQYMHSA-N 0 3 293.283 -1.273 20 0 CAADHN CC[C@H](CNC(=O)C(=O)Nc1cc(C)on1)NCC(N)=O ZINC001269509454 775510280 /nfs/dbraw/zinc/51/02/80/775510280.db2.gz JGLVNTRDPIHHEW-MRVPVSSYSA-N 0 3 297.315 -1.109 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@@H]2CCN(C)C2=O)CC1)C(N)=O ZINC001269476228 775510450 /nfs/dbraw/zinc/51/04/50/775510450.db2.gz YQFXYXYMRINHOQ-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)C1(C(=O)NC)CC1)N[C@H]1CCNC1=O ZINC001269482770 775510496 /nfs/dbraw/zinc/51/04/96/775510496.db2.gz YHVYJHOROOACJA-UWVGGRQHSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@H](CNC(=O)C[C@H]1CC(=O)NC1=O)NCC(N)=O ZINC001269520258 775511530 /nfs/dbraw/zinc/51/15/30/775511530.db2.gz LQHWXTIUKPHPLU-JGVFFNPUSA-N 0 3 284.316 -1.991 20 0 CAADHN C[C@@H](NCC1(NC(=O)C(N)=O)CCCC1)C(=O)N(C)C ZINC001269572459 775512959 /nfs/dbraw/zinc/51/29/59/775512959.db2.gz UPWNNKDTRXXUCX-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN CN1CC[C@H](NCC2(NC(=O)C(N)=O)CCCC2)C1=O ZINC001269572570 775513520 /nfs/dbraw/zinc/51/35/20/775513520.db2.gz XWRYLUCDTJOROM-VIFPVBQESA-N 0 3 282.344 -1.279 20 0 CAADHN CN1CC[C@@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1=O ZINC001269631227 775514306 /nfs/dbraw/zinc/51/43/06/775514306.db2.gz WMPYSYWLHDDPCM-IINYFYTJSA-N 0 3 296.371 -1.176 20 0 CAADHN CN1CC[C@H](C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1=O ZINC001269631229 775514473 /nfs/dbraw/zinc/51/44/73/775514473.db2.gz WMPYSYWLHDDPCM-QMTHXVAHSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](NC[C@@](C)(NC(=O)C(N)=O)C1CC1)C(=O)N(C)C ZINC001269634886 775514741 /nfs/dbraw/zinc/51/47/41/775514741.db2.gz VKOLDCCYSCJEJV-AMIZOPFISA-N 0 3 284.360 -1.177 20 0 CAADHN CN1CC[C@@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1=O ZINC001269631225 775515085 /nfs/dbraw/zinc/51/50/85/775515085.db2.gz WMPYSYWLHDDPCM-HZMBPMFUSA-N 0 3 296.371 -1.176 20 0 CAADHN CCn1ccnc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001126425982 775518034 /nfs/dbraw/zinc/51/80/34/775518034.db2.gz WKGWNZGLOZMVCD-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN C[C@H](NCCNC(=O)CCc1ncc[nH]1)C(N)=O ZINC001126436483 775519193 /nfs/dbraw/zinc/51/91/93/775519193.db2.gz BTWQBRLFPUZKRA-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1ncc[nH]1)C(N)=O ZINC001126436482 775519317 /nfs/dbraw/zinc/51/93/17/775519317.db2.gz BTWQBRLFPUZKRA-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN O=C(CCc1ncc[nH]1)NCCN[C@H]1CCNC1=O ZINC001126436838 775519725 /nfs/dbraw/zinc/51/97/25/775519725.db2.gz NWVJONJUHJDXQA-VIFPVBQESA-N 0 3 265.317 -1.063 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1ncc[nH]1 ZINC001126436489 775519859 /nfs/dbraw/zinc/51/98/59/775519859.db2.gz CGXCESJOONHOKT-UHFFFAOYSA-N 0 3 282.304 -1.757 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCCNC1=O ZINC001270076168 775521042 /nfs/dbraw/zinc/52/10/42/775521042.db2.gz NNDFJZOSBMJLHC-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC001270112714 775522838 /nfs/dbraw/zinc/52/28/38/775522838.db2.gz JMPJNMJLSJDVPX-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(CN1CCNC(=O)C1)N1CCC[C@H]1CNCCF ZINC001270106014 775522866 /nfs/dbraw/zinc/52/28/66/775522866.db2.gz VXLXHTZMUJIHCS-NSHDSACASA-N 0 3 286.351 -1.032 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001270120675 775523001 /nfs/dbraw/zinc/52/30/01/775523001.db2.gz HOFXNXRMFDQPSQ-IUCAKERBSA-N 0 3 282.344 -1.294 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001270120677 775523385 /nfs/dbraw/zinc/52/33/85/775523385.db2.gz HOFXNXRMFDQPSQ-RKDXNWHRSA-N 0 3 282.344 -1.294 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)C(N)=O ZINC001270120336 775523450 /nfs/dbraw/zinc/52/34/50/775523450.db2.gz GWPDWCAWDRDUMD-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001270120672 775523683 /nfs/dbraw/zinc/52/36/83/775523683.db2.gz HOFXNXRMFDQPSQ-BDAKNGLRSA-N 0 3 282.344 -1.294 20 0 CAADHN C[C@@H](NC(=O)CNC[C@@H]1CCCN1C(=O)C(N)=O)C1CC1 ZINC001270121893 775523698 /nfs/dbraw/zinc/52/36/98/775523698.db2.gz PWLDYOPOYFWOTL-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN CS(=O)(=O)NCCNC[C@@H]1CCCN1C(=O)C(N)=O ZINC001270119599 775523924 /nfs/dbraw/zinc/52/39/24/775523924.db2.gz COYFOLAXOVUXGU-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN COCC(=O)N(C)CCOCCN[C@@H]1CCCNC1=O ZINC001284853114 775525053 /nfs/dbraw/zinc/52/50/53/775525053.db2.gz MIDMLXPPHGQVBQ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CNCCNC(=O)C1CCC(O)CC1 ZINC001126452509 775525262 /nfs/dbraw/zinc/52/52/62/775525262.db2.gz BYVPRTWTSHUQMG-UHFFFAOYSA-N 0 3 257.334 -1.011 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CC(N)=O ZINC001270190346 775525282 /nfs/dbraw/zinc/52/52/82/775525282.db2.gz QEJXCPWBHCOJFJ-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)C(=O)NCC1CC1)C(N)=O ZINC001270158726 775525537 /nfs/dbraw/zinc/52/55/37/775525537.db2.gz GETAGFAKXZRQCN-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@]1(C)CCNC1=O ZINC001270263676 775526464 /nfs/dbraw/zinc/52/64/64/775526464.db2.gz VXTVKPSBAWMCMJ-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CCCNC(=O)CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001270259160 775526813 /nfs/dbraw/zinc/52/68/13/775526813.db2.gz JGHNCXJEOVJMIH-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)CC(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001284916575 775528697 /nfs/dbraw/zinc/52/86/97/775528697.db2.gz YBFAXIJTNDJKRP-UHFFFAOYSA-N 0 3 284.360 -1.210 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1CCNC1=O)C1CCCC1 ZINC001270421690 775530416 /nfs/dbraw/zinc/53/04/16/775530416.db2.gz HJYBWXQMJPZBIK-WDEREUQCSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@@H](O)CC(=O)N1CC2(C1)COCC(=O)N2CCN(C)C ZINC001270415988 775530503 /nfs/dbraw/zinc/53/05/03/775530503.db2.gz OAPAQXJFEBYCTL-LLVKDONJSA-N 0 3 299.371 -1.241 20 0 CAADHN CN(C)CCN1C[C@@]2(CCN(C(=O)CO)C2)OCC1=O ZINC001270421905 775530579 /nfs/dbraw/zinc/53/05/79/775530579.db2.gz FIPWLMLRQYSFPG-ZDUSSCGKSA-N 0 3 285.344 -1.630 20 0 CAADHN C[C@H](O)CC(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001270416653 775530745 /nfs/dbraw/zinc/53/07/45/775530745.db2.gz VPDCLVGRCPFZLR-NSHDSACASA-N 0 3 299.371 -1.241 20 0 CAADHN CC[C@H](C(=O)N1CC(CNC(=O)CC(N)=O)C1)N(C)C ZINC001284960835 775532973 /nfs/dbraw/zinc/53/29/73/775532973.db2.gz WDKZFWBGYQVXLM-SNVBAGLBSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(C)CCN1C[C@@]2(F)CN(C(=O)CO)C[C@@]2(F)C1=O ZINC001270423121 775531939 /nfs/dbraw/zinc/53/19/39/775531939.db2.gz NDQMBRAWHKJGSI-VXGBXAGGSA-N 0 3 291.298 -1.359 20 0 CAADHN Cc1cc(CC(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@@H]2O)[nH]n1 ZINC001083401573 775533938 /nfs/dbraw/zinc/53/39/38/775533938.db2.gz PNPYDNHFQWLUHY-JLLWLGSASA-N 0 3 282.344 -1.197 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC(C)(C)O ZINC001126466847 775535447 /nfs/dbraw/zinc/53/54/47/775535447.db2.gz CBILCSAGKMCBKY-QMMMGPOBSA-N 0 3 288.348 -1.303 20 0 CAADHN C[C@H](O)CN1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149139477 775536146 /nfs/dbraw/zinc/53/61/46/775536146.db2.gz ZYJFFUGXFFIPBQ-UWVGGRQHSA-N 0 3 288.348 -1.757 20 0 CAADHN C[C@@H](O)CN1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149139474 775536990 /nfs/dbraw/zinc/53/69/90/775536990.db2.gz ZYJFFUGXFFIPBQ-NXEZZACHSA-N 0 3 288.348 -1.757 20 0 CAADHN Cc1ccnc(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001126472218 775537628 /nfs/dbraw/zinc/53/76/28/775537628.db2.gz ZINNSKPMUSOFQD-SECBINFHSA-N 0 3 263.301 -1.007 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1nccc(C)n1 ZINC001126471872 775537756 /nfs/dbraw/zinc/53/77/56/775537756.db2.gz PQMZCQSEGYICLD-UHFFFAOYSA-N 0 3 294.315 -1.440 20 0 CAADHN C[C@]1(NC(=O)C[C@@H]2NC(=O)NC2=O)CCN(CCO)C1 ZINC001270600037 775537849 /nfs/dbraw/zinc/53/78/49/775537849.db2.gz SATNJAVZRIEYCK-UFBFGSQYSA-N 0 3 284.316 -1.843 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001270577137 775538107 /nfs/dbraw/zinc/53/81/07/775538107.db2.gz OQAPGHBOKLPCED-KWQFWETISA-N 0 3 258.322 -1.384 20 0 CAADHN C[C@@]1(NC(=O)C[C@@H]2NC(=O)NC2=O)CCN(CCO)C1 ZINC001270600036 775538701 /nfs/dbraw/zinc/53/87/01/775538701.db2.gz SATNJAVZRIEYCK-QPUJVOFHSA-N 0 3 284.316 -1.843 20 0 CAADHN Cc1ccnc(C(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001126477556 775539964 /nfs/dbraw/zinc/53/99/64/775539964.db2.gz RQUQLQPYMJFXQM-MRVPVSSYSA-N 0 3 251.290 -1.022 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)CC(C)(C)O ZINC001126476734 775540729 /nfs/dbraw/zinc/54/07/29/775540729.db2.gz GNDHHCJRYJCAPE-UHFFFAOYSA-N 0 3 288.348 -1.301 20 0 CAADHN CN1CCC(O)(C(=O)N2CC3(C2)CN(C)C(=O)CO3)CC1 ZINC001270680706 775542453 /nfs/dbraw/zinc/54/24/53/775542453.db2.gz PUOISNRWPQFVLD-UHFFFAOYSA-N 0 3 297.355 -1.487 20 0 CAADHN COC[C@H](C)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001271133392 775573566 /nfs/dbraw/zinc/57/35/66/775573566.db2.gz ZWBNDROZESUIRQ-CMPLNLGQSA-N 0 3 260.334 -1.186 20 0 CAADHN CO[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C1CC1 ZINC001126493665 775548288 /nfs/dbraw/zinc/54/82/88/775548288.db2.gz FYOPFZRUFPIQKZ-SNVBAGLBSA-N 0 3 293.389 -1.334 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H](OC)C1CC1 ZINC001126487324 775549299 /nfs/dbraw/zinc/54/92/99/775549299.db2.gz YDCZRVDSRQIHEB-JTQLQIEISA-N 0 3 286.332 -1.427 20 0 CAADHN CO[C@H](C(=O)NCCNCC(=O)N1CCOCC1)C1CC1 ZINC001126486767 775549430 /nfs/dbraw/zinc/54/94/30/775549430.db2.gz ILGBQXULQDGWSA-ZDUSSCGKSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)Cn1cccn1 ZINC001270894150 775556596 /nfs/dbraw/zinc/55/65/96/775556596.db2.gz AGNQLRHEJLWJMX-VIFPVBQESA-N 0 3 253.306 -1.195 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)Cn1cnnn1 ZINC001270887025 775556852 /nfs/dbraw/zinc/55/68/52/775556852.db2.gz IRIOWAYLDYEAKD-SFYZADRCSA-N 0 3 269.309 -2.017 20 0 CAADHN O=C(CCn1cncn1)NC[C@@H]1CN(CCO)CCCO1 ZINC001149187813 775557044 /nfs/dbraw/zinc/55/70/44/775557044.db2.gz BNKSVNRJAZOQCG-GFCCVEGCSA-N 0 3 297.359 -1.132 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001149318304 775557147 /nfs/dbraw/zinc/55/71/47/775557147.db2.gz UNTHZMBZTTZYQI-WDEREUQCSA-N 0 3 282.344 -1.551 20 0 CAADHN COC(=O)N(C)CCN(C)S(=O)(=O)C1CNC1 ZINC000721814589 775558136 /nfs/dbraw/zinc/55/81/36/775558136.db2.gz PILVBXBNJIQNNG-UHFFFAOYSA-N 0 3 265.335 -1.082 20 0 CAADHN Cn1nncc1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001126524704 775558345 /nfs/dbraw/zinc/55/83/45/775558345.db2.gz RVJCXHCKRYUTDD-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)c2cnnn2C)C1=O ZINC001126528056 775558667 /nfs/dbraw/zinc/55/86/67/775558667.db2.gz BYCUVKOSPQUICI-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnnn1C)C(=O)N(C)C ZINC001126528196 775558981 /nfs/dbraw/zinc/55/89/81/775558981.db2.gz HBGXBEZYBPWYNP-MRVPVSSYSA-N 0 3 268.321 -1.389 20 0 CAADHN Cn1nncc1C(=O)NCCN[C@H]1CCNC1=O ZINC001126522532 775559326 /nfs/dbraw/zinc/55/93/26/775559326.db2.gz AMJHWHRMKWKJDE-ZETCQYMHSA-N 0 3 252.278 -1.977 20 0 CAADHN Cn1nncc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001126522530 775559364 /nfs/dbraw/zinc/55/93/64/775559364.db2.gz AMJHWHRMKWKJDE-SSDOTTSWSA-N 0 3 252.278 -1.977 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cnnn1C ZINC001126524300 775559463 /nfs/dbraw/zinc/55/94/63/775559463.db2.gz NKIUCQNEFDBQCU-UHFFFAOYSA-N 0 3 254.294 -1.777 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ncn(C)n1 ZINC001270957544 775560702 /nfs/dbraw/zinc/56/07/02/775560702.db2.gz UYBBEMHFZIETRG-SSDOTTSWSA-N 0 3 254.294 -1.650 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cnccn1 ZINC001271108545 775566368 /nfs/dbraw/zinc/56/63/68/775566368.db2.gz CKQPTFYIUZGADB-LBPRGKRZSA-N 0 3 266.301 -1.365 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cnccn1 ZINC001271108544 775566576 /nfs/dbraw/zinc/56/65/76/775566576.db2.gz CKQPTFYIUZGADB-GFCCVEGCSA-N 0 3 266.301 -1.365 20 0 CAADHN CC(=O)NC[C@@]1(O)CCN(CCn2cncn2)C1 ZINC001271108809 775566887 /nfs/dbraw/zinc/56/68/87/775566887.db2.gz FAWQNQHUHSPKHJ-NSHDSACASA-N 0 3 253.306 -1.149 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)N(C)C(=O)C(N)=O ZINC001271083442 775566900 /nfs/dbraw/zinc/56/69/00/775566900.db2.gz QEBWXOVZJQJDPD-NKWVEPMBSA-N 0 3 270.289 -2.287 20 0 CAADHN CC(=O)NC[C@]1(O)CCN(CCn2cncn2)C1 ZINC001271108808 775567115 /nfs/dbraw/zinc/56/71/15/775567115.db2.gz FAWQNQHUHSPKHJ-LLVKDONJSA-N 0 3 253.306 -1.149 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)N(C)C(=O)C(N)=O ZINC001271083445 775567320 /nfs/dbraw/zinc/56/73/20/775567320.db2.gz QEBWXOVZJQJDPD-RQJHMYQMSA-N 0 3 270.289 -2.287 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1ccn[nH]1 ZINC001271120766 775568593 /nfs/dbraw/zinc/56/85/93/775568593.db2.gz NVEYOJORFJWNCV-LLVKDONJSA-N 0 3 254.290 -1.431 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1ccn[nH]1 ZINC001271120767 775569054 /nfs/dbraw/zinc/56/90/54/775569054.db2.gz NVEYOJORFJWNCV-NSHDSACASA-N 0 3 254.290 -1.431 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001271113372 775569507 /nfs/dbraw/zinc/56/95/07/775569507.db2.gz OMLNCONYEJJXRA-RNJXMRFFSA-N 0 3 256.306 -1.970 20 0 CAADHN Cn1nncc1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001126541337 775570348 /nfs/dbraw/zinc/57/03/48/775570348.db2.gz VJKBATUSCHIICK-UHFFFAOYSA-N 0 3 296.331 -2.007 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cnnn1C ZINC001126541454 775570768 /nfs/dbraw/zinc/57/07/68/775570768.db2.gz XTMKMRFQNDKLPN-UHFFFAOYSA-N 0 3 297.319 -2.020 20 0 CAADHN C[C@H](NCCNC(=O)c1cnnn1C)C(=O)NC(N)=O ZINC001126541139 775571122 /nfs/dbraw/zinc/57/11/22/775571122.db2.gz OVVDKGWNESFAKI-LURJTMIESA-N 0 3 283.292 -2.282 20 0 CAADHN CN1CCOC[C@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083417134 775571439 /nfs/dbraw/zinc/57/14/39/775571439.db2.gz FTZRJDXPLFHHIH-AGIUHOORSA-N 0 3 283.372 -1.112 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnnn1C)C(=O)NC1CC1 ZINC001126541213 775571582 /nfs/dbraw/zinc/57/15/82/775571582.db2.gz RDDGHCMZQPSEDT-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](NCCNC(=O)c1cnnn1C)C(=O)NC1CC1 ZINC001126541214 775571803 /nfs/dbraw/zinc/57/18/03/775571803.db2.gz RDDGHCMZQPSEDT-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN Cc1ncc(C(=O)NC[C@]2(O)CCN(CCO)C2)[nH]1 ZINC001271131186 775573205 /nfs/dbraw/zinc/57/32/05/775573205.db2.gz HRXGIIIFCYFTLA-GFCCVEGCSA-N 0 3 268.317 -1.123 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCOCCO)C1)c1cocn1 ZINC001271132695 775573487 /nfs/dbraw/zinc/57/34/87/775573487.db2.gz SSCSYCGJKXTBOL-ZDUSSCGKSA-N 0 3 299.327 -1.150 20 0 CAADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1CCO ZINC001087708855 775574336 /nfs/dbraw/zinc/57/43/36/775574336.db2.gz UBFSMCWXXSOBBS-IVZWLZJFSA-N 0 3 270.333 -1.371 20 0 CAADHN COC[C@H](C)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001271133393 775574581 /nfs/dbraw/zinc/57/45/81/775574581.db2.gz ZWBNDROZESUIRQ-JQWIXIFHSA-N 0 3 260.334 -1.186 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126548299 775575697 /nfs/dbraw/zinc/57/56/97/775575697.db2.gz IMFBDSFYTJHORO-SECBINFHSA-N 0 3 267.289 -1.266 20 0 CAADHN Cn1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)nn1 ZINC001271146234 775575757 /nfs/dbraw/zinc/57/57/57/775575757.db2.gz VBRKNVLMXFKHGK-NSHDSACASA-N 0 3 269.305 -2.026 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548361 775575767 /nfs/dbraw/zinc/57/57/67/775575767.db2.gz JOCJXUMNVAPOTM-LURJTMIESA-N 0 3 287.276 -2.744 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001126548399 775575903 /nfs/dbraw/zinc/57/59/03/775575903.db2.gz KKJPRXAYGQTOEQ-RKDXNWHRSA-N 0 3 284.316 -1.579 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126547843 775575946 /nfs/dbraw/zinc/57/59/46/775575946.db2.gz BHRXOBASRICGMU-RXMQYKEDSA-N 0 3 273.249 -3.005 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001126548397 775576066 /nfs/dbraw/zinc/57/60/66/775576066.db2.gz KKJPRXAYGQTOEQ-DTWKUNHWSA-N 0 3 284.316 -1.579 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1COC(=O)N1)NC1CC1 ZINC001126547903 775576152 /nfs/dbraw/zinc/57/61/52/775576152.db2.gz CDNRMAOWOLMICZ-QMMMGPOBSA-N 0 3 270.289 -1.921 20 0 CAADHN CC[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CCN1CC(N)=O ZINC001087789509 775576380 /nfs/dbraw/zinc/57/63/80/775576380.db2.gz VCIHCHILFKVGRP-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548265 775576449 /nfs/dbraw/zinc/57/64/49/775576449.db2.gz HQCKEEXBZZNJAQ-VIFPVBQESA-N 0 3 286.332 -1.283 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126548547 775577173 /nfs/dbraw/zinc/57/71/73/775577173.db2.gz NZVQNCFFXMAXMY-SNVBAGLBSA-N 0 3 298.343 -1.331 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126548197 775577454 /nfs/dbraw/zinc/57/74/54/775577454.db2.gz GCSKFDMKOYTQMY-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1COC(=O)N1 ZINC001126548795 775577801 /nfs/dbraw/zinc/57/78/01/775577801.db2.gz SQWAFNXJKDXOLY-YUMQZZPRSA-N 0 3 270.289 -1.921 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548198 775578401 /nfs/dbraw/zinc/57/84/01/775578401.db2.gz GCSKFDMKOYTQMY-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126548546 775578529 /nfs/dbraw/zinc/57/85/29/775578529.db2.gz NZVQNCFFXMAXMY-JTQLQIEISA-N 0 3 298.343 -1.331 20 0 CAADHN CCCC[C@H](NCCNC(=O)[C@H]1COC(=O)N1)C(N)=O ZINC001126552939 775579855 /nfs/dbraw/zinc/57/98/55/775579855.db2.gz FJGUQEALHHQJGE-DTWKUNHWSA-N 0 3 286.332 -1.155 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126549068 775580036 /nfs/dbraw/zinc/58/00/36/775580036.db2.gz WPOILEQFEGPALH-VIFPVBQESA-N 0 3 267.289 -1.266 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126549200 775580072 /nfs/dbraw/zinc/58/00/72/775580072.db2.gz ZBNZZEZVXKHYQA-DTWKUNHWSA-N 0 3 286.332 -1.285 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001126549107 775580131 /nfs/dbraw/zinc/58/01/31/775580131.db2.gz XIHPHDQADDVYNK-VIFPVBQESA-N 0 3 284.316 -1.579 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126549124 775580465 /nfs/dbraw/zinc/58/04/65/775580465.db2.gz XOQIFJQIPWDJHO-MRVPVSSYSA-N 0 3 272.305 -1.721 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001126549105 775580690 /nfs/dbraw/zinc/58/06/90/775580690.db2.gz XIHPHDQADDVYNK-SECBINFHSA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001126554073 775581101 /nfs/dbraw/zinc/58/11/01/775581101.db2.gz MTQQHKOLCPJFHH-WPRPVWTQSA-N 0 3 298.343 -1.285 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001126554222 775581305 /nfs/dbraw/zinc/58/13/05/775581305.db2.gz OBMXDGWRXYURAY-NKWVEPMBSA-N 0 3 258.278 -2.065 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126554684 775581347 /nfs/dbraw/zinc/58/13/47/775581347.db2.gz QYZSKMJPJWROGJ-VIFPVBQESA-N 0 3 286.332 -1.427 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001126554224 775582046 /nfs/dbraw/zinc/58/20/46/775582046.db2.gz OBMXDGWRXYURAY-RNFRBKRXSA-N 0 3 258.278 -2.065 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001126554448 775582301 /nfs/dbraw/zinc/58/23/01/775582301.db2.gz OIEIFJCFNXDXHL-NXEZZACHSA-N 0 3 298.343 -1.190 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1COC(=O)N1)C(N)=O ZINC001126554469 775582557 /nfs/dbraw/zinc/58/25/57/775582557.db2.gz ONPGBOAVRLJSBO-RQJHMYQMSA-N 0 3 258.278 -1.936 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126554220 775582578 /nfs/dbraw/zinc/58/25/78/775582578.db2.gz OBMXDGWRXYURAY-BQBZGAKWSA-N 0 3 258.278 -2.065 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1COC(=O)N1)C(N)=O ZINC001126554463 775582609 /nfs/dbraw/zinc/58/26/09/775582609.db2.gz ONPGBOAVRLJSBO-BQBZGAKWSA-N 0 3 258.278 -1.936 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001126554452 775582631 /nfs/dbraw/zinc/58/26/31/775582631.db2.gz OIEIFJCFNXDXHL-VHSXEESVSA-N 0 3 298.343 -1.190 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083419281 775584685 /nfs/dbraw/zinc/58/46/85/775584685.db2.gz YQZMYCOPOMERRG-ZJUUUORDSA-N 0 3 281.316 -1.445 20 0 CAADHN CCN(C(=O)CNCCNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001126559110 775585048 /nfs/dbraw/zinc/58/50/48/775585048.db2.gz BTNSMAWMXGPPLB-JTQLQIEISA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1COC(=O)N1)C(=O)NC1CC1 ZINC001126561505 775586237 /nfs/dbraw/zinc/58/62/37/775586237.db2.gz QVNXNTUEPGJCAH-CBAPKCEASA-N 0 3 284.316 -1.532 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001126562244 775586723 /nfs/dbraw/zinc/58/67/23/775586723.db2.gz WSVCOSFNVHAEQT-DTWKUNHWSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1COC(=O)N1)C(=O)NC1CC1 ZINC001126561508 775586897 /nfs/dbraw/zinc/58/68/97/775586897.db2.gz QVNXNTUEPGJCAH-VXNVDRBHSA-N 0 3 284.316 -1.532 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)Cn1cncn1 ZINC001271197164 775594883 /nfs/dbraw/zinc/59/48/83/775594883.db2.gz NKSLPNGDKFGQBH-SECBINFHSA-N 0 3 268.321 -1.539 20 0 CAADHN NC(=O)C(=O)N1C[C@H]2CCN([C@@H]3CCCNC3=O)C[C@H]2C1 ZINC001088088959 775607324 /nfs/dbraw/zinc/60/73/24/775607324.db2.gz URIPKVONIOTCGQ-OUAUKWLOSA-N 0 3 294.355 -1.469 20 0 CAADHN CN1CCC(CO)(NC(=O)Cn2cccnc2=O)CC1 ZINC001141969728 775607477 /nfs/dbraw/zinc/60/74/77/775607477.db2.gz HWFUDHVXBDZDIF-UHFFFAOYSA-N 0 3 280.328 -1.184 20 0 CAADHN NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[n-]3)C[C@@H]2C1 ZINC001088165319 775608956 /nfs/dbraw/zinc/60/89/56/775608956.db2.gz YIVORKPMFJLYKW-ZJUUUORDSA-N 0 3 292.343 -1.387 20 0 CAADHN NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[n-]3)C[C@@H]2C1 ZINC001088165319 775608959 /nfs/dbraw/zinc/60/89/59/775608959.db2.gz YIVORKPMFJLYKW-ZJUUUORDSA-N 0 3 292.343 -1.387 20 0 CAADHN CN(C)CCN1C(=O)COCC12CN(C(=O)CCCO)C2 ZINC001271508742 775613826 /nfs/dbraw/zinc/61/38/26/775613826.db2.gz FYGLIEYIGJITRK-UHFFFAOYSA-N 0 3 299.371 -1.240 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)CN1C(=O)CNC1=O)C2 ZINC001271536455 775615090 /nfs/dbraw/zinc/61/50/90/775615090.db2.gz PVLJSAVYOGIADV-BDAKNGLRSA-N 0 3 266.301 -1.299 20 0 CAADHN CN1C[C@@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)CC1=O ZINC001075853143 775619906 /nfs/dbraw/zinc/61/99/06/775619906.db2.gz DDDZZOJPOJHWEI-SDDRHHMPSA-N 0 3 281.356 -1.010 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)CC1=O ZINC001075853142 775620199 /nfs/dbraw/zinc/62/01/99/775620199.db2.gz DDDZZOJPOJHWEI-QJPTWQEYSA-N 0 3 281.356 -1.010 20 0 CAADHN CN1CCC(O)(C(=O)NC23CC(C(N)=O)(C2)C3)CC1 ZINC001271736027 775620267 /nfs/dbraw/zinc/62/02/67/775620267.db2.gz JFFKRBRYWBOHTM-UHFFFAOYSA-N 0 3 267.329 -1.033 20 0 CAADHN CN1CCC(O)(C(=O)N2Cc3n[nH]c(C(N)=O)c3C2)CC1 ZINC001271735707 775620468 /nfs/dbraw/zinc/62/04/68/775620468.db2.gz AJSKJSXQCJPTQQ-UHFFFAOYSA-N 0 3 293.327 -1.193 20 0 CAADHN CN1CCC(O)(C(=O)N2CC[C@@H]3C[C@@]32C(N)=O)CC1 ZINC001271735954 775621504 /nfs/dbraw/zinc/62/15/04/775621504.db2.gz HZHKJVNPPGYBMF-RNCFNFMXSA-N 0 3 267.329 -1.081 20 0 CAADHN CN1CCC(O)(C(=O)N2CC3(C2)CC[C@H](C(N)=O)O3)CC1 ZINC001271736782 775621794 /nfs/dbraw/zinc/62/17/94/775621794.db2.gz UTOREMZINGCFFY-SNVBAGLBSA-N 0 3 297.355 -1.312 20 0 CAADHN COC(=O)[C@@H](O)CN[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000714248865 775621868 /nfs/dbraw/zinc/62/18/68/775621868.db2.gz PYKJOXSGBNGQHS-FXQIFTODSA-N 0 3 251.304 -1.315 20 0 CAADHN NC(=O)CN[C@H]1CCCCCN(C(=O)CC(N)=O)C1 ZINC001088284822 775622286 /nfs/dbraw/zinc/62/22/86/775622286.db2.gz NQQWUQLQWITWBA-VIFPVBQESA-N 0 3 270.333 -1.292 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001126622220 775623097 /nfs/dbraw/zinc/62/30/97/775623097.db2.gz HFOWCFHLKWVJJH-NXEZZACHSA-N 0 3 257.334 -1.060 20 0 CAADHN CN1CCC(O)(C(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)CC1 ZINC001271802577 775623156 /nfs/dbraw/zinc/62/31/56/775623156.db2.gz YJLJJZJPOUWGDA-RYUDHWBXSA-N 0 3 283.372 -1.016 20 0 CAADHN CN1CCC(O)(C(=O)N2C[C@@H]3COC[C@H](C2)N3C)CC1 ZINC001271802411 775623754 /nfs/dbraw/zinc/62/37/54/775623754.db2.gz WTPMZFWLNYHPFI-TXEJJXNPSA-N 0 3 283.372 -1.016 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126619690 775624171 /nfs/dbraw/zinc/62/41/71/775624171.db2.gz STBWIQZTBQPNOY-WCBMZHEXSA-N 0 3 271.317 -1.486 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001126623339 775624604 /nfs/dbraw/zinc/62/46/04/775624604.db2.gz UOMZMCOIKPHUKP-JGVFFNPUSA-N 0 3 274.321 -1.708 20 0 CAADHN CCCC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001271873714 775628277 /nfs/dbraw/zinc/62/82/77/775628277.db2.gz MQFNQMTZSLDSGY-OUAUKWLOSA-N 0 3 296.371 -1.094 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)C(N)=O)C(C)C ZINC001271891040 775628359 /nfs/dbraw/zinc/62/83/59/775628359.db2.gz BIOFOXFMIZLFJN-MRVPVSSYSA-N 0 3 258.322 -1.662 20 0 CAADHN CC(C)[C@@H](CNC(=O)CN1C(=O)CNC1=O)NCC(N)=O ZINC001271929745 775629203 /nfs/dbraw/zinc/62/92/03/775629203.db2.gz BJSBBJISUMGPAH-MRVPVSSYSA-N 0 3 299.331 -2.246 20 0 CAADHN CC(C)[C@H](CNC(=O)C(=O)NCC1CC1)NCC(N)=O ZINC001271915774 775629297 /nfs/dbraw/zinc/62/92/97/775629297.db2.gz MPSRZBATRFONBO-JTQLQIEISA-N 0 3 284.360 -1.272 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(=O)NCC1CC1)NCC(N)=O ZINC001271915777 775629566 /nfs/dbraw/zinc/62/95/66/775629566.db2.gz MPSRZBATRFONBO-SNVBAGLBSA-N 0 3 284.360 -1.272 20 0 CAADHN NC(=O)CN[C@H]1CCCCCN(C(=O)C(N)=O)C1 ZINC001088371848 775631719 /nfs/dbraw/zinc/63/17/19/775631719.db2.gz QVSABQSFFGQOPA-QMMMGPOBSA-N 0 3 256.306 -1.682 20 0 CAADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)C(N)=O)C1 ZINC001088371847 775632442 /nfs/dbraw/zinc/63/24/42/775632442.db2.gz QVSABQSFFGQOPA-MRVPVSSYSA-N 0 3 256.306 -1.682 20 0 CAADHN NC(=O)C(=O)N1CCCCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001088371643 775632854 /nfs/dbraw/zinc/63/28/54/775632854.db2.gz LYVNQGNOAIOTFA-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001088382793 775635722 /nfs/dbraw/zinc/63/57/22/775635722.db2.gz MCYNAYKGJQWRRC-AXFHLTTASA-N 0 3 296.371 -1.046 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCNCC(=O)N1CCC1 ZINC001126631749 775637648 /nfs/dbraw/zinc/63/76/48/775637648.db2.gz JJJPIGOZOMFWIH-LLVKDONJSA-N 0 3 257.334 -1.059 20 0 CAADHN NC(=O)C(=O)NCC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001059677704 775638217 /nfs/dbraw/zinc/63/82/17/775638217.db2.gz GBHHRPLTMJGLFQ-LLVKDONJSA-N 0 3 296.371 -1.078 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](O)C(C)C ZINC001126632399 775639019 /nfs/dbraw/zinc/63/90/19/775639019.db2.gz RRNHMKXMOZBGKO-SECBINFHSA-N 0 3 274.321 -1.835 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2COCCO2)CCN1CCO ZINC001088475393 775639218 /nfs/dbraw/zinc/63/92/18/775639218.db2.gz UGNWDRMMGCWTKH-OUAUKWLOSA-N 0 3 258.318 -1.027 20 0 CAADHN NC(=O)C(=O)NCC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001059677705 775639252 /nfs/dbraw/zinc/63/92/52/775639252.db2.gz GBHHRPLTMJGLFQ-NSHDSACASA-N 0 3 296.371 -1.078 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cn(C)nn1 ZINC001126653578 775641477 /nfs/dbraw/zinc/64/14/77/775641477.db2.gz ARMNDGYKBBXWSN-ZETCQYMHSA-N 0 3 254.294 -1.731 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCNC2=O)nn1 ZINC001126650940 775641930 /nfs/dbraw/zinc/64/19/30/775641930.db2.gz XVIMJCZOLSHQKW-SSDOTTSWSA-N 0 3 252.278 -1.977 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1cn(C)nn1 ZINC001126650937 775642232 /nfs/dbraw/zinc/64/22/32/775642232.db2.gz XROPXBHJOFALOQ-UHFFFAOYSA-N 0 3 268.321 -1.339 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)nn1 ZINC001126653731 775642404 /nfs/dbraw/zinc/64/24/04/775642404.db2.gz GBGBCWOCUVVOJV-ZETCQYMHSA-N 0 3 280.288 -2.060 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)N2CCOCC2)nn1 ZINC001126650249 775642486 /nfs/dbraw/zinc/64/24/86/775642486.db2.gz KRFJJVZXPIEUHV-UHFFFAOYSA-N 0 3 296.331 -2.007 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CCN1CCO ZINC001088533703 775644123 /nfs/dbraw/zinc/64/41/23/775644123.db2.gz FBFDIGCPEOFWTH-BDAKNGLRSA-N 0 3 269.305 -1.445 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCN1CCO ZINC001088530258 775644150 /nfs/dbraw/zinc/64/41/50/775644150.db2.gz JJMMBZMBJOXYMC-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN Cc1nnc(CC(=O)NCCN[C@H]2CCC(=O)NC2=O)o1 ZINC001126667256 775645500 /nfs/dbraw/zinc/64/55/00/775645500.db2.gz JATDJTVMTWDOQD-QMMMGPOBSA-N 0 3 295.299 -1.568 20 0 CAADHN Cc1nnc(CC(=O)NCCNCC(=O)NC(N)=O)o1 ZINC001126664078 775645854 /nfs/dbraw/zinc/64/58/54/775645854.db2.gz SMFMMCNOJWHCDU-UHFFFAOYSA-N 0 3 284.276 -2.179 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)N2CCC2)nn1 ZINC001126666755 775646018 /nfs/dbraw/zinc/64/60/18/775646018.db2.gz CVAOVYXPVGFLCF-UHFFFAOYSA-N 0 3 266.305 -1.633 20 0 CAADHN CC[C@H](NCCNC(=O)Cc1nnc(C)o1)C(N)=O ZINC001126672633 775646779 /nfs/dbraw/zinc/64/67/79/775646779.db2.gz UDWYKXJPURRCJE-QMMMGPOBSA-N 0 3 269.305 -1.110 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001126677848 775646790 /nfs/dbraw/zinc/64/67/90/775646790.db2.gz FVYDRWTZGNBCKZ-ZETCQYMHSA-N 0 3 252.278 -1.977 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1ncn(C)n1 ZINC001126678206 775646918 /nfs/dbraw/zinc/64/69/18/775646918.db2.gz OASDSAVHMJIMAH-UHFFFAOYSA-N 0 3 298.347 -1.713 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ncn(C)n1 ZINC001126677826 775646954 /nfs/dbraw/zinc/64/69/54/775646954.db2.gz FNDHGLLUXYFFRE-UHFFFAOYSA-N 0 3 254.294 -1.729 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCn1cnnn1 ZINC000987247826 775647304 /nfs/dbraw/zinc/64/73/04/775647304.db2.gz IDGZADSZYPGXSQ-IUCAKERBSA-N 0 3 281.320 -1.873 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1ncn(C)n1 ZINC001126678229 775647391 /nfs/dbraw/zinc/64/73/91/775647391.db2.gz PCMBTUHLNXYOLF-UHFFFAOYSA-N 0 3 268.321 -1.339 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)n1 ZINC001126677710 775647591 /nfs/dbraw/zinc/64/75/91/775647591.db2.gz CHLAAFFPCWCJCA-SSDOTTSWSA-N 0 3 280.288 -2.060 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ncn(C)n1 ZINC001126677963 775647628 /nfs/dbraw/zinc/64/76/28/775647628.db2.gz JREYRRUHVYUYCV-UHFFFAOYSA-N 0 3 254.294 -1.777 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001126677847 775647673 /nfs/dbraw/zinc/64/76/73/775647673.db2.gz FVYDRWTZGNBCKZ-SSDOTTSWSA-N 0 3 252.278 -1.977 20 0 CAADHN Cc1nnc(CC(=O)NCCN[C@H](C)C(=O)NC(N)=O)o1 ZINC001126672050 775647813 /nfs/dbraw/zinc/64/78/13/775647813.db2.gz IPUHYTUKBUUJCN-ZCFIWIBFSA-N 0 3 298.303 -1.790 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ncn(C)n1 ZINC001126683960 775648495 /nfs/dbraw/zinc/64/84/95/775648495.db2.gz AUFMHUXCNRERDL-ZETCQYMHSA-N 0 3 254.294 -1.731 20 0 CAADHN CNC(=O)NCCC(=O)NCCNCc1cncn1C ZINC001126688673 775648825 /nfs/dbraw/zinc/64/88/25/775648825.db2.gz JUOVQAKWZFNRFW-UHFFFAOYSA-N 0 3 282.348 -1.055 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@@H]2CCN(C)C2=O)n1 ZINC001126684343 775648849 /nfs/dbraw/zinc/64/88/49/775648849.db2.gz KJYSZGIGAOFIDX-MRVPVSSYSA-N 0 3 266.305 -1.635 20 0 CAADHN CNC(=O)NCCC(=O)NCCNCc1cnn(C)c1 ZINC001126689338 775649066 /nfs/dbraw/zinc/64/90/66/775649066.db2.gz WQYHJIMJJKZYKW-UHFFFAOYSA-N 0 3 282.348 -1.055 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ncn(C)n1 ZINC001126683959 775649621 /nfs/dbraw/zinc/64/96/21/775649621.db2.gz AUFMHUXCNRERDL-SSDOTTSWSA-N 0 3 254.294 -1.731 20 0 CAADHN O=C(CN1CCOCC1=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075889832 775649484 /nfs/dbraw/zinc/64/94/84/775649484.db2.gz ZBIGOURJDZVKHC-NWDGAFQWSA-N 0 3 297.355 -1.630 20 0 CAADHN C[C@H](NCCNC(=O)c1ncn(C)n1)C(=O)N(C)C ZINC001126684350 775649645 /nfs/dbraw/zinc/64/96/45/775649645.db2.gz KMDIGOALLSSXLS-QMMMGPOBSA-N 0 3 268.321 -1.389 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ncn(C)n1)C(N)=O ZINC001126684924 775649671 /nfs/dbraw/zinc/64/96/71/775649671.db2.gz ZSQVFNAFWADSNC-SSDOTTSWSA-N 0 3 254.294 -1.602 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1ncn(C)n1 ZINC001126678411 775649727 /nfs/dbraw/zinc/64/97/27/775649727.db2.gz ZLVXZUVPWIZOCS-UHFFFAOYSA-N 0 3 268.321 -1.387 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@H]2CCCN(C)C2=O)n1 ZINC001126678397 775649740 /nfs/dbraw/zinc/64/97/40/775649740.db2.gz YPQIYOVMULWOKQ-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@H]2CCN(C)C2=O)n1 ZINC001126684344 775649794 /nfs/dbraw/zinc/64/97/94/775649794.db2.gz KJYSZGIGAOFIDX-QMMMGPOBSA-N 0 3 266.305 -1.635 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001126693154 775650658 /nfs/dbraw/zinc/65/06/58/775650658.db2.gz RSIFQJFPTSRFDV-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126693302 775650811 /nfs/dbraw/zinc/65/08/11/775650811.db2.gz UGBHDHACZKWBKF-QMMMGPOBSA-N 0 3 299.331 -2.184 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@H]1CCCNC1=O ZINC001126692591 775650931 /nfs/dbraw/zinc/65/09/31/775650931.db2.gz BWVNJCLVOMDPKH-VIFPVBQESA-N 0 3 285.348 -1.710 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@H]1CCNC1=O ZINC001126692786 775650990 /nfs/dbraw/zinc/65/09/90/775650990.db2.gz GUGNBERWDXMNKO-QMMMGPOBSA-N 0 3 271.321 -2.100 20 0 CAADHN CNC(=O)NCCC(=O)NCCNCC(=O)N1CCCC1 ZINC001126688364 775651207 /nfs/dbraw/zinc/65/12/07/775651207.db2.gz FQJFZRRKRDVVLU-UHFFFAOYSA-N 0 3 299.375 -1.366 20 0 CAADHN CCn1ncc(C(=O)NCCNCC(=O)NC2CC2)n1 ZINC001126705536 775653716 /nfs/dbraw/zinc/65/37/16/775653716.db2.gz BFFUGBATHZNFTC-UHFFFAOYSA-N 0 3 280.332 -1.104 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)n1 ZINC001126716365 775653738 /nfs/dbraw/zinc/65/37/38/775653738.db2.gz GIJADZWSSAZDRC-SSDOTTSWSA-N 0 3 297.319 -1.799 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)n1 ZINC001126716366 775653879 /nfs/dbraw/zinc/65/38/79/775653879.db2.gz GIJADZWSSAZDRC-ZETCQYMHSA-N 0 3 297.319 -1.799 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@H](C)C(=O)NC ZINC001126722051 775655517 /nfs/dbraw/zinc/65/55/17/775655517.db2.gz WEZGLUZWFRCPQB-MRVPVSSYSA-N 0 3 268.321 -1.248 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001088569675 775659288 /nfs/dbraw/zinc/65/92/88/775659288.db2.gz FGNXUFDMKRDYHF-ZJUUUORDSA-N 0 3 268.321 -1.102 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001126732456 775660809 /nfs/dbraw/zinc/66/08/09/775660809.db2.gz IYUAWFWKKOPTRC-MRVPVSSYSA-N 0 3 266.305 -1.494 20 0 CAADHN C[C@H]1C[C@@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)CC(N)=O ZINC000988431248 775662474 /nfs/dbraw/zinc/66/24/74/775662474.db2.gz KFKSLDBCPGLEHD-JGVFFNPUSA-N 0 3 296.331 -1.937 20 0 CAADHN Cc1c(C(=O)N2C[C@@H](NCC(N)=O)C[C@H]2C)nnn1C ZINC000988474557 775665124 /nfs/dbraw/zinc/66/51/24/775665124.db2.gz WOUJYKIFQNLCIG-APPZFPTMSA-N 0 3 280.332 -1.199 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CCN1CCO ZINC001088579157 775665434 /nfs/dbraw/zinc/66/54/34/775665434.db2.gz RFKCGQVFFCZGQU-BDAKNGLRSA-N 0 3 296.331 -2.052 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)C(F)F ZINC001272090721 775665477 /nfs/dbraw/zinc/66/54/77/775665477.db2.gz HDCPFFLAJROGOM-ZETCQYMHSA-N 0 3 267.276 -1.204 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)n1 ZINC001083442942 775666748 /nfs/dbraw/zinc/66/67/48/775666748.db2.gz MYFHNNFROVCTFX-AXFHLTTASA-N 0 3 295.343 -1.374 20 0 CAADHN CC(=O)N(CCO)CCN[C@H](C)C(=O)NC(N)=O ZINC001272091394 775666923 /nfs/dbraw/zinc/66/69/23/775666923.db2.gz SNOMTCLSVKOHSD-SSDOTTSWSA-N 0 3 260.294 -2.000 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)nn1 ZINC001083443468 775666931 /nfs/dbraw/zinc/66/69/31/775666931.db2.gz LEPCGAGYJMIZLR-UMNHJUIQSA-N 0 3 295.343 -1.374 20 0 CAADHN CN(CCCO)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001272093732 775667346 /nfs/dbraw/zinc/66/73/46/775667346.db2.gz UECKYKOVXSNLHY-SECBINFHSA-N 0 3 258.322 -1.560 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212064214 775668821 /nfs/dbraw/zinc/66/88/21/775668821.db2.gz PYVRPAUENRLIEU-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CO[C@H](C)CN1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212070889 775670120 /nfs/dbraw/zinc/67/01/20/775670120.db2.gz BQFFMKRAUOYAON-OPRDCNLKSA-N 0 3 273.333 -1.288 20 0 CAADHN C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101838898 775672339 /nfs/dbraw/zinc/67/23/39/775672339.db2.gz ZANIGWOIUMJUPQ-OPRDCNLKSA-N 0 3 282.344 -1.566 20 0 CAADHN CO[C@@H](C)CN1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001083452446 775674795 /nfs/dbraw/zinc/67/47/95/775674795.db2.gz KQJWNDQWQPIUCZ-GDPRMGEGSA-N 0 3 297.359 -1.148 20 0 CAADHN CC(C)N1CCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083456164 775675722 /nfs/dbraw/zinc/67/57/22/775675722.db2.gz ISGDIDXVLLMELO-WOPDTQHZSA-N 0 3 298.387 -1.494 20 0 CAADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083456163 775676617 /nfs/dbraw/zinc/67/66/17/775676617.db2.gz ISGDIDXVLLMELO-UTUOFQBUSA-N 0 3 298.387 -1.494 20 0 CAADHN CNC(=O)CC(=O)NC[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C ZINC001101907138 775676703 /nfs/dbraw/zinc/67/67/03/775676703.db2.gz PGSKWHOIDBRLIR-OPRDCNLKSA-N 0 3 284.360 -1.320 20 0 CAADHN CNC(=O)CC(=O)NC[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C ZINC001101908241 775676774 /nfs/dbraw/zinc/67/67/74/775676774.db2.gz KDHZYAVQZHKDEE-GHMZBOCLSA-N 0 3 298.387 -1.105 20 0 CAADHN CN(CCCO)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001272111943 775676871 /nfs/dbraw/zinc/67/68/71/775676871.db2.gz WTDDBYZSFGWEET-ZJUUUORDSA-N 0 3 257.334 -1.120 20 0 CAADHN Cn1nccc1CNCCN(CCO)C(=O)CC(N)=O ZINC001272129491 775678015 /nfs/dbraw/zinc/67/80/15/775678015.db2.gz IAZXOKQQAFJQOV-UHFFFAOYSA-N 0 3 283.332 -1.794 20 0 CAADHN CNC(=O)CC(=O)NC[C@@H]1CN([C@@H](C)C(=O)NC)C[C@H]1C ZINC001101909119 775678101 /nfs/dbraw/zinc/67/81/01/775678101.db2.gz AZTQLJDROCMJMS-OUAUKWLOSA-N 0 3 298.387 -1.059 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)CC(N)=O ZINC001272129925 775678398 /nfs/dbraw/zinc/67/83/98/775678398.db2.gz VIDGRNPKRCLGAT-UHFFFAOYSA-N 0 3 274.321 -2.640 20 0 CAADHN C[C@@H](C(=O)N(CCO)CCNCC(N)=O)C1CC1 ZINC001272135673 775678432 /nfs/dbraw/zinc/67/84/32/775678432.db2.gz BCDFCNRRTDYCFK-SECBINFHSA-N 0 3 257.334 -1.072 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC1(F)F ZINC001126765202 775679518 /nfs/dbraw/zinc/67/95/18/775679518.db2.gz QTRCLHYJNBZGEA-ZCFIWIBFSA-N 0 3 278.259 -1.197 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC1(F)F ZINC001126765199 775679768 /nfs/dbraw/zinc/67/97/68/775679768.db2.gz QTRCLHYJNBZGEA-LURJTMIESA-N 0 3 278.259 -1.197 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)[C@]12C[C@H]1COC2 ZINC001272169252 775681215 /nfs/dbraw/zinc/68/12/15/775681215.db2.gz RDZJEUSUTOWCNO-FZMZJTMJSA-N 0 3 299.371 -1.431 20 0 CAADHN C[C@@H](O)C[NH2+]CCN(CCO)C(=O)c1cnc[n-]c1=O ZINC001272190668 775681306 /nfs/dbraw/zinc/68/13/06/775681306.db2.gz ZVTBMBOYUDJUEH-SECBINFHSA-N 0 3 284.316 -1.413 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)c2cc(=O)n(C)cn2)CCN1CCO ZINC001088632864 775681379 /nfs/dbraw/zinc/68/13/79/775681379.db2.gz GCAAGXKCASJWKS-ZJUUUORDSA-N 0 3 280.328 -1.035 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CCN1CCO ZINC001088630863 775681647 /nfs/dbraw/zinc/68/16/47/775681647.db2.gz FERQGXLXGWLWTH-VGMNWLOBSA-N 0 3 284.316 -1.844 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001272189466 775681745 /nfs/dbraw/zinc/68/17/45/775681745.db2.gz HMGNWOAKWALCIR-QMMMGPOBSA-N 0 3 288.348 -2.218 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)C(C)(C)C(N)=O ZINC001272190416 775682216 /nfs/dbraw/zinc/68/22/16/775682216.db2.gz VJYORAWNJAOGMA-UHFFFAOYSA-N 0 3 288.348 -2.346 20 0 CAADHN CCCCN1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464009 775683211 /nfs/dbraw/zinc/68/32/11/775683211.db2.gz LDGDZRQKUXQQQO-ZJUUUORDSA-N 0 3 268.321 -1.366 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001083464531 775685404 /nfs/dbraw/zinc/68/54/04/775685404.db2.gz LORFYCGZUKWRSE-ZJUUUORDSA-N 0 3 268.321 -1.510 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001083464361 775685677 /nfs/dbraw/zinc/68/56/77/775685677.db2.gz CVPIKJPTQXAIMM-MXWKQRLJSA-N 0 3 296.331 -2.129 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083463923 775685996 /nfs/dbraw/zinc/68/59/96/775685996.db2.gz HFRUNYMFHQPRFF-ZJUUUORDSA-N 0 3 266.305 -1.756 20 0 CAADHN O=C(CN1CCCNC1=O)N(CCO)CCNCCF ZINC001272202110 775687553 /nfs/dbraw/zinc/68/75/53/775687553.db2.gz LVWUQZURODGNIE-UHFFFAOYSA-N 0 3 290.339 -1.218 20 0 CAADHN Cn1cncc1CNCCN(CCO)C(=O)c1cn[nH]n1 ZINC001272201777 775687671 /nfs/dbraw/zinc/68/76/71/775687671.db2.gz FIHFADPGAYNQRV-UHFFFAOYSA-N 0 3 293.331 -1.238 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CCCNC2=O)CCN1CCO ZINC001088700960 775690225 /nfs/dbraw/zinc/69/02/25/775690225.db2.gz GTVZHLDIWQTGNX-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CCC(CNC(=O)C(N)=O)CC1 ZINC001224304367 775691952 /nfs/dbraw/zinc/69/19/52/775691952.db2.gz UCCXPNXACHBXTB-SECBINFHSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H]1CN(C(=O)CNCCNC(=O)c2ncc[nH]2)CCO1 ZINC001126811704 775692106 /nfs/dbraw/zinc/69/21/06/775692106.db2.gz WAYYKPYIAAYVIW-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ncc[nH]1 ZINC001126806868 775692125 /nfs/dbraw/zinc/69/21/25/775692125.db2.gz ONIMHCLIKPBALT-UHFFFAOYSA-N 0 3 254.250 -2.076 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2ncc[nH]2)C1=O ZINC001126810414 775692155 /nfs/dbraw/zinc/69/21/55/775692155.db2.gz FBPPGOLTEPJTFA-MRVPVSSYSA-N 0 3 251.290 -1.040 20 0 CAADHN O=C(CNCCNC(=O)c1ncc[nH]1)NC[C@H]1CCOC1 ZINC001126810421 775692337 /nfs/dbraw/zinc/69/23/37/775692337.db2.gz FHWUYWLJEOSFBV-SNVBAGLBSA-N 0 3 295.343 -1.118 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H]1C[C@H]1C ZINC001272224852 775692412 /nfs/dbraw/zinc/69/24/12/775692412.db2.gz ISADDLDFSWUXSC-NXEZZACHSA-N 0 3 257.334 -1.201 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1ncc[nH]1 ZINC001126806263 775692582 /nfs/dbraw/zinc/69/25/82/775692582.db2.gz HTJBIRYUMKHLHD-UHFFFAOYSA-N 0 3 282.304 -1.425 20 0 CAADHN O=C(CNCCNC(=O)c1ncc[nH]1)NC(=O)NC1CC1 ZINC001126806576 775692623 /nfs/dbraw/zinc/69/26/23/775692623.db2.gz JPOGNANTEAVEEF-UHFFFAOYSA-N 0 3 294.315 -1.283 20 0 CAADHN C[C@@H]1CN(CC(=O)N2CCCC2)C[C@H]1CNC(=O)C(N)=O ZINC001102300815 775694122 /nfs/dbraw/zinc/69/41/22/775694122.db2.gz DIAOCSPWBZLCHA-GHMZBOCLSA-N 0 3 296.371 -1.222 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)cn2)CCN1CCO ZINC001088758175 775695237 /nfs/dbraw/zinc/69/52/37/775695237.db2.gz FCEQHSAHHBQTCX-ZJUUUORDSA-N 0 3 280.328 -1.035 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1n[nH]cc1C ZINC001126852049 775700930 /nfs/dbraw/zinc/70/09/30/775700930.db2.gz JZKDESFMCPZRJC-UHFFFAOYSA-N 0 3 282.304 -1.507 20 0 CAADHN O=C(CC1(O)CCC1)NCCN[C@H]1CCC(=O)NC1=O ZINC001126847970 775701040 /nfs/dbraw/zinc/70/10/40/775701040.db2.gz ILCUQNMJWNLXQX-VIFPVBQESA-N 0 3 283.328 -1.198 20 0 CAADHN Cc1c[nH]nc1C(=O)NCCN[C@H]1CCNC1=O ZINC001126851591 775701180 /nfs/dbraw/zinc/70/11/80/775701180.db2.gz BPLQPSMUKBGKQC-QMMMGPOBSA-N 0 3 251.290 -1.074 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001083492012 775701238 /nfs/dbraw/zinc/70/12/38/775701238.db2.gz HGCKBHBREBTCBK-ZJUUUORDSA-N 0 3 253.306 -1.152 20 0 CAADHN O=C(CC1(O)CCC1)NCCNCC(=O)N1CCOCC1 ZINC001126847771 775701286 /nfs/dbraw/zinc/70/12/86/775701286.db2.gz GBCZONMDAGIDKO-UHFFFAOYSA-N 0 3 299.371 -1.144 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H]1C ZINC001088793129 775702716 /nfs/dbraw/zinc/70/27/16/775702716.db2.gz VPDFHCGQFAHOTL-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN Cc1c[nH]nc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001126867547 775702748 /nfs/dbraw/zinc/70/27/48/775702748.db2.gz FEIOAXUJRYAPRM-ZETCQYMHSA-N 0 3 282.304 -1.379 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CCN1CCO ZINC001088796025 775702785 /nfs/dbraw/zinc/70/27/85/775702785.db2.gz UPGMTNFYGKBRKX-KXUCPTDWSA-N 0 3 270.333 -1.419 20 0 CAADHN Cc1c[nH]nc1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001126852051 775702905 /nfs/dbraw/zinc/70/29/05/775702905.db2.gz KIJVKBDCAVHACK-UHFFFAOYSA-N 0 3 295.343 -1.104 20 0 CAADHN Cc1c[nH]nc1C(=O)NCCNCCNS(C)(=O)=O ZINC001126867530 775703533 /nfs/dbraw/zinc/70/35/33/775703533.db2.gz DRASROXVYYLTTC-UHFFFAOYSA-N 0 3 289.361 -1.413 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CCN1CCCO ZINC001088792869 775703800 /nfs/dbraw/zinc/70/38/00/775703800.db2.gz KFRWMQCEEXTADR-OUAUKWLOSA-N 0 3 284.360 -1.029 20 0 CAADHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001083505593 775704278 /nfs/dbraw/zinc/70/42/78/775704278.db2.gz UWPBPZLTFRGENH-WOPDTQHZSA-N 0 3 298.387 -1.493 20 0 CAADHN CC[C@H](F)CNCCN(CCO)C(=O)c1nnn(C)n1 ZINC001272235742 775707899 /nfs/dbraw/zinc/70/78/99/775707899.db2.gz PPXGXGQHMMOYTL-VIFPVBQESA-N 0 3 288.327 -1.018 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083528855 775711683 /nfs/dbraw/zinc/71/16/83/775711683.db2.gz MLKCFUWLFMRACF-MNOVXSKESA-N 0 3 285.344 -1.584 20 0 CAADHN O=C(CN1CCOCC1=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083529885 775712034 /nfs/dbraw/zinc/71/20/34/775712034.db2.gz LNCIDEAZJHEPSS-NEPJUHHUSA-N 0 3 297.355 -1.584 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1CCO ZINC001088829199 775713201 /nfs/dbraw/zinc/71/32/01/775713201.db2.gz IJPSGILMOMLCEW-HRDYMLBCSA-N 0 3 256.306 -1.761 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1CCO ZINC001088829200 775714621 /nfs/dbraw/zinc/71/46/21/775714621.db2.gz IJPSGILMOMLCEW-VGMNWLOBSA-N 0 3 256.306 -1.761 20 0 CAADHN CCCNC(=O)CNCCNC(=O)Cc1nnc(C)[nH]1 ZINC001126912786 775715053 /nfs/dbraw/zinc/71/50/53/775715053.db2.gz VSUFULJLXGNCEJ-UHFFFAOYSA-N 0 3 282.348 -1.112 20 0 CAADHN C[C@@H]1COCC[C@H]1C(=O)N(CCO)CCNCC(N)=O ZINC001272250823 775715110 /nfs/dbraw/zinc/71/51/10/775715110.db2.gz GGNVOWORDVEAEZ-GHMZBOCLSA-N 0 3 287.360 -1.445 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)Cc1nnc(C)[nH]1 ZINC001126912107 775715261 /nfs/dbraw/zinc/71/52/61/775715261.db2.gz DEHJKPXXTWUHRL-UHFFFAOYSA-N 0 3 282.348 -1.160 20 0 CAADHN CCCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001083535696 775717353 /nfs/dbraw/zinc/71/73/53/775717353.db2.gz GTSRDGBQCDRRIC-YIZRAAEISA-N 0 3 284.316 -1.844 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1n[nH]cc1F ZINC001272252769 775717803 /nfs/dbraw/zinc/71/78/03/775717803.db2.gz UELCRCWTPSRPOI-UHFFFAOYSA-N 0 3 287.295 -1.681 20 0 CAADHN O=C(N[C@@H]1CN(CCO)C[C@@H]1O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001083540566 775718475 /nfs/dbraw/zinc/71/84/75/775718475.db2.gz MIVGDBRSEWBRMR-IQIPOGNMSA-N 0 3 280.328 -1.333 20 0 CAADHN O=C(c1c[nH]c(=O)cn1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076188448 775718581 /nfs/dbraw/zinc/71/85/81/775718581.db2.gz KWXMXUYCAYWRLV-GXSJLCMTSA-N 0 3 278.312 -1.092 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)ncc1=O ZINC001076063648 775719031 /nfs/dbraw/zinc/71/90/31/775719031.db2.gz CDOBHGPCBVSYBK-CMPLNLGQSA-N 0 3 292.339 -1.081 20 0 CAADHN CN1CC[C@@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1=O ZINC001076152289 775719606 /nfs/dbraw/zinc/71/96/06/775719606.db2.gz CJWOYGURTNDIFA-QJPTWQEYSA-N 0 3 281.356 -1.010 20 0 CAADHN CN1CCC[C@H](N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)C1=O ZINC001076198978 775722481 /nfs/dbraw/zinc/72/24/81/775722481.db2.gz WQRYXDZTDXNNIW-GARJFASQSA-N 0 3 294.355 -1.375 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076249933 775723936 /nfs/dbraw/zinc/72/39/36/775723936.db2.gz JLDYQMSFYJGXKZ-ZRUFSTJUSA-N 0 3 267.329 -1.367 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076478142 775729371 /nfs/dbraw/zinc/72/93/71/775729371.db2.gz ODYCQKMQHLBFKU-GARJFASQSA-N 0 3 267.329 -1.210 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccc(C)nn1 ZINC001126932442 775732273 /nfs/dbraw/zinc/73/22/73/775732273.db2.gz XZOOZPITGXVIHP-UHFFFAOYSA-N 0 3 294.315 -1.440 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076541722 775732483 /nfs/dbraw/zinc/73/24/83/775732483.db2.gz OQHIHWYFSLFZCU-WDEREUQCSA-N 0 3 265.317 -1.197 20 0 CAADHN CCN1C[C@@H]2CCN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001076607661 775734492 /nfs/dbraw/zinc/73/44/92/775734492.db2.gz WHMSWPHKAZQGRR-GXSJLCMTSA-N 0 3 292.343 -1.070 20 0 CAADHN Cc1ccc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)nn1 ZINC001126943129 775742560 /nfs/dbraw/zinc/74/25/60/775742560.db2.gz MEODWRDVGAPYPG-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001076724420 775745028 /nfs/dbraw/zinc/74/50/28/775745028.db2.gz UUAJTKFXUKYZMR-NXEZZACHSA-N 0 3 266.305 -1.756 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076721904 775745229 /nfs/dbraw/zinc/74/52/29/775745229.db2.gz JXFRUUSCRWZSDR-NXEZZACHSA-N 0 3 268.321 -1.366 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001076722911 775745430 /nfs/dbraw/zinc/74/54/30/775745430.db2.gz BIPYZQWTNPSLOG-RKDXNWHRSA-N 0 3 254.294 -1.756 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@H]1COCCO1 ZINC001076760748 775749361 /nfs/dbraw/zinc/74/93/61/775749361.db2.gz QLKQWASAJKTFBW-IJLUTSLNSA-N 0 3 270.329 -1.027 20 0 CAADHN CN1CCC[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001076805406 775759594 /nfs/dbraw/zinc/75/95/94/775759594.db2.gz GHNDHFUJETVPLZ-OUAUKWLOSA-N 0 3 257.334 -1.766 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001076811090 775760655 /nfs/dbraw/zinc/76/06/55/775760655.db2.gz YSFYUSHRRIGWFV-OPRDCNLKSA-N 0 3 255.318 -1.165 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@H]1CCC(=O)N1 ZINC001076810718 775761630 /nfs/dbraw/zinc/76/16/30/775761630.db2.gz PQYSAPKBHWAEOP-GMTAPVOTSA-N 0 3 267.329 -1.164 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001076838696 775764253 /nfs/dbraw/zinc/76/42/53/775764253.db2.gz IXDMPFXXLOFDBF-IJLUTSLNSA-N 0 3 271.361 -1.113 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001076838697 775765216 /nfs/dbraw/zinc/76/52/16/775765216.db2.gz IXDMPFXXLOFDBF-UTUOFQBUSA-N 0 3 271.361 -1.113 20 0 CAADHN Cc1cc(CC(=O)N[C@@H]2CN(CCCO)C[C@H]2O)[nH]n1 ZINC001076868014 775766537 /nfs/dbraw/zinc/76/65/37/775766537.db2.gz TWKNDGPQHAAJHX-VXGBXAGGSA-N 0 3 282.344 -1.196 20 0 CAADHN CCN1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1 ZINC001083554975 775767300 /nfs/dbraw/zinc/76/73/00/775767300.db2.gz FVZZKOJCPAKZTK-BDAKNGLRSA-N 0 3 252.274 -1.023 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H]1CN(CCC2CC2)C[C@H]1O ZINC001076909648 775771603 /nfs/dbraw/zinc/77/16/03/775771603.db2.gz KPBBZZZJQWFXRC-GHMZBOCLSA-N 0 3 295.343 -1.055 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076910458 775772308 /nfs/dbraw/zinc/77/23/08/775772308.db2.gz QHQPGLUOPVCKIH-NXEZZACHSA-N 0 3 283.332 -1.055 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2)C1 ZINC001076904135 775772473 /nfs/dbraw/zinc/77/24/73/775772473.db2.gz IGKZYRQBQUNFAI-VXGBXAGGSA-N 0 3 271.361 -1.112 20 0 CAADHN CN1CCOC[C@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001076908437 775773037 /nfs/dbraw/zinc/77/30/37/775773037.db2.gz FTZRJDXPLFHHIH-FRRDWIJNSA-N 0 3 283.372 -1.112 20 0 CAADHN CC(C)N(C)CC(=O)NCC[C@H](C)NC(=O)C(N)=O ZINC001076924477 775775501 /nfs/dbraw/zinc/77/55/01/775775501.db2.gz OYKJYSSEPHEUQQ-VIFPVBQESA-N 0 3 272.349 -1.177 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001076942664 775777733 /nfs/dbraw/zinc/77/77/33/775777733.db2.gz WEVKPSYAUIWXDL-OPRDCNLKSA-N 0 3 271.317 -1.088 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001076942703 775778259 /nfs/dbraw/zinc/77/82/59/775778259.db2.gz XHXGEFLPKLCCCX-IWSPIJDZSA-N 0 3 257.290 -1.336 20 0 CAADHN C[C@@H](CCNC(=O)[C@H](C1CC1)N(C)C)NC(=O)C(N)=O ZINC001076956240 775780005 /nfs/dbraw/zinc/78/00/05/775780005.db2.gz JAMUWFFAGCGUOA-WPRPVWTQSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CCNC(=O)C1(N(C)C)CCC1)NC(=O)C(N)=O ZINC001076951121 775780174 /nfs/dbraw/zinc/78/01/74/775780174.db2.gz VPRFVYIOLAHIOP-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001076965621 775782256 /nfs/dbraw/zinc/78/22/56/775782256.db2.gz MYFHNNFROVCTFX-HBNTYKKESA-N 0 3 295.343 -1.374 20 0 CAADHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001076986064 775785699 /nfs/dbraw/zinc/78/56/99/775785699.db2.gz ISGDIDXVLLMELO-IJLUTSLNSA-N 0 3 298.387 -1.494 20 0 CAADHN CO[C@@H](C)CN1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001076980564 775786395 /nfs/dbraw/zinc/78/63/95/775786395.db2.gz KQJWNDQWQPIUCZ-JMJZKYOTSA-N 0 3 297.359 -1.148 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001077003877 775788640 /nfs/dbraw/zinc/78/86/40/775788640.db2.gz CVPIKJPTQXAIMM-GMTAPVOTSA-N 0 3 296.331 -2.129 20 0 CAADHN Cc1cn(C)nc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001126959578 775792008 /nfs/dbraw/zinc/79/20/08/775792008.db2.gz JKDFUYDUZHJNMA-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN Cc1cn(C)nc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001126959579 775792691 /nfs/dbraw/zinc/79/26/91/775792691.db2.gz JKDFUYDUZHJNMA-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN CCN1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083565116 775796318 /nfs/dbraw/zinc/79/63/18/775796318.db2.gz BWWKUCHJMVUPBZ-WISYIIOYSA-N 0 3 271.361 -1.113 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001077163398 775799812 /nfs/dbraw/zinc/79/98/12/775799812.db2.gz ORSHPSDAZMOMQW-GHMZBOCLSA-N 0 3 280.328 -1.035 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077254199 775806256 /nfs/dbraw/zinc/80/62/56/775806256.db2.gz PNKSNEXZUKAKHP-VXGBXAGGSA-N 0 3 298.387 -1.668 20 0 CAADHN CN1CCCC[C@@H]1C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001077236247 775806748 /nfs/dbraw/zinc/80/67/48/775806748.db2.gz HJJZXDICGIOPFC-IJLUTSLNSA-N 0 3 271.361 -1.376 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077265715 775809936 /nfs/dbraw/zinc/80/99/36/775809936.db2.gz CEASAPPKLQRRFD-NXEZZACHSA-N 0 3 283.332 -1.847 20 0 CAADHN C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077288108 775813369 /nfs/dbraw/zinc/81/33/69/775813369.db2.gz FILIQPHZPVBTEQ-FTLITQJKSA-N 0 3 255.278 -2.040 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN2CCCNC2=O)C1 ZINC001077298118 775814232 /nfs/dbraw/zinc/81/42/32/775814232.db2.gz PECRAMDVZMHIMA-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN CN1CCCC[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083571679 775816813 /nfs/dbraw/zinc/81/68/13/775816813.db2.gz HJJZXDICGIOPFC-WOPDTQHZSA-N 0 3 271.361 -1.376 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cc1ccn(C)n1 ZINC001126971448 775816928 /nfs/dbraw/zinc/81/69/28/775816928.db2.gz CTSDAEYYRIDTFI-UHFFFAOYSA-N 0 3 267.333 -1.196 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1ccn(C)n1 ZINC001126971856 775818521 /nfs/dbraw/zinc/81/85/21/775818521.db2.gz VFRNJDZJCXQNAC-UHFFFAOYSA-N 0 3 296.331 -1.876 20 0 CAADHN Cn1ccc(CC(=O)NCCN[C@@H]2CCCNC2=O)n1 ZINC001126971642 775818710 /nfs/dbraw/zinc/81/87/10/775818710.db2.gz LIXPXPQKMKNNEL-LLVKDONJSA-N 0 3 279.344 -1.053 20 0 CAADHN Cn1ccc(CC(=O)NCCN[C@H]2CCC(=O)NC2=O)n1 ZINC001126971382 775818890 /nfs/dbraw/zinc/81/88/90/775818890.db2.gz AGNLLOWPHHJONS-JTQLQIEISA-N 0 3 293.327 -1.526 20 0 CAADHN Cn1ccc(CC(=O)NCCN[C@@H]2CCN(C)C2=O)n1 ZINC001126976252 775823171 /nfs/dbraw/zinc/82/31/71/775823171.db2.gz UQQKWQPVUURHCY-LLVKDONJSA-N 0 3 279.344 -1.101 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001077416032 775824444 /nfs/dbraw/zinc/82/44/44/775824444.db2.gz IWNWLGPNYLMTHE-MWLCHTKSSA-N 0 3 280.328 -1.036 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083582709 775824915 /nfs/dbraw/zinc/82/49/15/775824915.db2.gz CDFSWXTVLWBQHL-NEPJUHHUSA-N 0 3 298.387 -1.670 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001083601311 775830785 /nfs/dbraw/zinc/83/07/85/775830785.db2.gz PECRAMDVZMHIMA-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN2CCCNC2=O)[C@@H](O)C1 ZINC001083601496 775831027 /nfs/dbraw/zinc/83/10/27/775831027.db2.gz YRJHRXPGFAYYIT-MNOVXSKESA-N 0 3 284.360 -1.029 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)N1CCCC1 ZINC001127035591 775841196 /nfs/dbraw/zinc/84/11/96/775841196.db2.gz MFKLIYWGINVXNF-UHFFFAOYSA-N 0 3 285.348 -1.756 20 0 CAADHN O=C(CNC(=O)N1CCCC1)NCCN[C@@H]1CCNC1=O ZINC001127035590 775841233 /nfs/dbraw/zinc/84/12/33/775841233.db2.gz MESCHYZYIZAQBF-SNVBAGLBSA-N 0 3 297.359 -1.614 20 0 CAADHN CC[C@H](NCCNC(=O)c1cn(CCOC)nn1)C(N)=O ZINC001127056723 775845256 /nfs/dbraw/zinc/84/52/56/775845256.db2.gz HDFDBMIFAXREDH-VIFPVBQESA-N 0 3 298.347 -1.492 20 0 CAADHN COCCn1cc(C(=O)NCCNCC(N)=O)nn1 ZINC001127056940 775845350 /nfs/dbraw/zinc/84/53/50/775845350.db2.gz PBGQKSBVHIUTDX-UHFFFAOYSA-N 0 3 270.293 -2.271 20 0 CAADHN CNS(=O)(=O)CCC(=O)NCCN[C@@H](C)C(N)=O ZINC001127081747 775851164 /nfs/dbraw/zinc/85/11/64/775851164.db2.gz ANAPICVAPFQZAY-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCS(=O)(=O)NC ZINC001127092562 775852775 /nfs/dbraw/zinc/85/27/75/775852775.db2.gz LHUGSJRYCXPNBH-UHFFFAOYSA-N 0 3 294.377 -2.232 20 0 CAADHN CCC(=O)NC[C@@H](O)CN[C@@H]1CCC(=O)NC1=O ZINC001272341381 775895594 /nfs/dbraw/zinc/89/55/94/775895594.db2.gz BKFIQWSVAFCRBJ-JGVFFNPUSA-N 0 3 257.290 -1.732 20 0 CAADHN O=C(NC[C@H](O)CNCCF)[C@H]1COCCO1 ZINC001272370659 775900412 /nfs/dbraw/zinc/90/04/12/775900412.db2.gz FVCJVNNLHWVCCZ-RKDXNWHRSA-N 0 3 250.270 -1.562 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CO[C@H]1CCOC1 ZINC001127135006 775863997 /nfs/dbraw/zinc/86/39/97/775863997.db2.gz SXBYZLPXCRIXEI-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN O=C(CO[C@@H]1CCOC1)NCCN[C@@H]1CCCNC1=O ZINC001127134785 775864245 /nfs/dbraw/zinc/86/42/45/775864245.db2.gz PQBTWYAGMWGLRX-GHMZBOCLSA-N 0 3 285.344 -1.224 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CO[C@@H]1CCOC1 ZINC001127134805 775864293 /nfs/dbraw/zinc/86/42/93/775864293.db2.gz QOYBBJAEDMHQKC-MRVPVSSYSA-N 0 3 288.304 -2.307 20 0 CAADHN O=C(CO[C@H]1CCOC1)NCCN[C@@H]1CCNC1=O ZINC001127135040 775865074 /nfs/dbraw/zinc/86/50/74/775865074.db2.gz UTSBFHKIBWKLLA-VHSXEESVSA-N 0 3 271.317 -1.614 20 0 CAADHN O=C(CO[C@@H]1CCOC1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001127140650 775865628 /nfs/dbraw/zinc/86/56/28/775865628.db2.gz FTRPPJVPTNQHFT-NXEZZACHSA-N 0 3 299.327 -1.697 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CO[C@@H]2CCOC2)C1=O ZINC001127142458 775866478 /nfs/dbraw/zinc/86/64/78/775866478.db2.gz NKLUOGSLPHGQEW-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@H](NCCNC(=O)CO[C@H]1CCOC1)C(N)=O ZINC001127140702 775866608 /nfs/dbraw/zinc/86/66/08/775866608.db2.gz GPWLOLKADFSBJK-IUCAKERBSA-N 0 3 259.306 -1.629 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CO[C@@H]2CCOC2)C1=O ZINC001127142456 775866810 /nfs/dbraw/zinc/86/68/10/775866810.db2.gz NKLUOGSLPHGQEW-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CO[C@H]1CCOC1 ZINC001127142454 775866933 /nfs/dbraw/zinc/86/69/33/775866933.db2.gz NKIGLKXQXUJBLK-ZJUUUORDSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@@H](NCCNC(=O)CO[C@H]1CCOC1)C(=O)N(C)C ZINC001127140138 775867022 /nfs/dbraw/zinc/86/70/22/775867022.db2.gz CRLGNGMXPBOPAC-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NCCNC(=O)CO[C@@H]1CCOC1)C(=O)N(C)C ZINC001127140135 775867308 /nfs/dbraw/zinc/86/73/08/775867308.db2.gz CRLGNGMXPBOPAC-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@@H](C)NC(N)=O ZINC001127154402 775868067 /nfs/dbraw/zinc/86/80/67/775868067.db2.gz JKRVSPHBQJAIGH-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H](C)NC(N)=O)C(N)=O ZINC001127147180 775868204 /nfs/dbraw/zinc/86/82/04/775868204.db2.gz GTPMMVFVQOOWIB-NKWVEPMBSA-N 0 3 259.310 -1.987 20 0 CAADHN C[C@H](CC(=O)NCCNCC(=O)N(C)C)NC(N)=O ZINC001127148195 775868348 /nfs/dbraw/zinc/86/83/48/775868348.db2.gz OENHLWOANOQGAZ-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@H]1CCC(=O)NC1=O)NC(N)=O ZINC001127148088 775868873 /nfs/dbraw/zinc/86/88/73/775868873.db2.gz NLMZGHCHLBPCSN-YUMQZZPRSA-N 0 3 299.331 -2.056 20 0 CAADHN C[C@H](CC(=O)NCCN[C@H]1CCCN(C)C1=O)NC(N)=O ZINC001127148466 775868887 /nfs/dbraw/zinc/86/88/87/775868887.db2.gz VKAWASRVGZQARH-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C[C@@H](C)NC(N)=O ZINC001127148458 775868896 /nfs/dbraw/zinc/86/88/96/775868896.db2.gz VIMKMNNYIHYJFW-SECBINFHSA-N 0 3 287.364 -1.335 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@H]1CCCN(C)C1=O)NC(N)=O ZINC001127148464 775868984 /nfs/dbraw/zinc/86/89/84/775868984.db2.gz VKAWASRVGZQARH-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@H](C)NC(N)=O)C(N)=O ZINC001127153926 775869060 /nfs/dbraw/zinc/86/90/60/775869060.db2.gz GOGOWUHVOPOHSA-YUMQZZPRSA-N 0 3 273.337 -1.597 20 0 CAADHN C[C@H](CC(=O)NCCNCC(=O)NC(N)=O)NC(N)=O ZINC001127153893 775869147 /nfs/dbraw/zinc/86/91/47/775869147.db2.gz FVPPCDLCOCKOJV-ZCFIWIBFSA-N 0 3 288.308 -2.666 20 0 CAADHN C[C@H](CC(=O)NCCNCC(=O)N1CCCC1)NC(N)=O ZINC001127162089 775869866 /nfs/dbraw/zinc/86/98/66/775869866.db2.gz JHNABYZSVQSPDI-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@@H](C)NC(N)=O ZINC001127160908 775869898 /nfs/dbraw/zinc/86/98/98/775869898.db2.gz CEJHPZDTXDUIOY-MRVPVSSYSA-N 0 3 273.337 -1.725 20 0 CAADHN C[C@H](CC(=O)NCCNCC(=O)NCC1CC1)NC(N)=O ZINC001127161558 775869970 /nfs/dbraw/zinc/86/99/70/775869970.db2.gz FPECILQXMQBPIV-SECBINFHSA-N 0 3 299.375 -1.335 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)C[C@H](C)NC(N)=O)C1=O ZINC001127155053 775870030 /nfs/dbraw/zinc/87/00/30/775870030.db2.gz OIGJZIWCTFSRGG-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CC(=O)NCCNCC(=O)N(C)C1CC1)NC(N)=O ZINC001127160896 775870042 /nfs/dbraw/zinc/87/00/42/775870042.db2.gz CBFPKHMCTVQUDO-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H](C)NC(N)=O)C(=O)N(C)C ZINC001127157359 775870282 /nfs/dbraw/zinc/87/02/82/775870282.db2.gz ZPDZEVFBQHNLHB-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@H](C)NC(N)=O ZINC001127160909 775870381 /nfs/dbraw/zinc/87/03/81/775870381.db2.gz CEJHPZDTXDUIOY-QMMMGPOBSA-N 0 3 273.337 -1.725 20 0 CAADHN C[C@H](CC(=O)NCCN[C@H](C)C(=O)N(C)C)NC(N)=O ZINC001127157363 775870607 /nfs/dbraw/zinc/87/06/07/775870607.db2.gz ZPDZEVFBQHNLHB-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)C[C@@H](C)NC(N)=O)C1=O ZINC001127155052 775870875 /nfs/dbraw/zinc/87/08/75/775870875.db2.gz OIGJZIWCTFSRGG-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)C[C@H](C)NC(N)=O)C1=O ZINC001127155055 775870936 /nfs/dbraw/zinc/87/09/36/775870936.db2.gz OIGJZIWCTFSRGG-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CC(=O)NCCNCC(N)=O)N1CCCCC1=O ZINC001127168083 775871415 /nfs/dbraw/zinc/87/14/15/775871415.db2.gz AVJHZSAZYUITMN-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(C[C@H](C)OC)C[C@H]1OC ZINC001212177913 775871584 /nfs/dbraw/zinc/87/15/84/775871584.db2.gz AQCDMRFYKSJHDY-HBNTYKKESA-N 0 3 287.360 -1.027 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(C[C@@H](C)OC)C[C@H]1OC ZINC001212177912 775872542 /nfs/dbraw/zinc/87/25/42/775872542.db2.gz AQCDMRFYKSJHDY-GMTAPVOTSA-N 0 3 287.360 -1.027 20 0 CAADHN C[C@H](CC(=O)NCCN[C@@H]1CCCNC1=O)NC(N)=O ZINC001127163608 775872550 /nfs/dbraw/zinc/87/25/50/775872550.db2.gz YPHSLJGXSCACKX-RKDXNWHRSA-N 0 3 285.348 -1.582 20 0 CAADHN Cc1cccn(CC(=O)NCCN[C@H](C)C(N)=O)c1=O ZINC001127181786 775874976 /nfs/dbraw/zinc/87/49/76/775874976.db2.gz QBKQNTDXJPIGER-SNVBAGLBSA-N 0 3 280.328 -1.264 20 0 CAADHN C[C@H](NC(=O)C(=O)N1CCNCCNCC1)[C@H]1CCOC1 ZINC001120418657 775875636 /nfs/dbraw/zinc/87/56/36/775875636.db2.gz LHCAMFPFXFWVFY-RYUDHWBXSA-N 0 3 298.387 -1.451 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CCN1CCO ZINC001088917977 775883457 /nfs/dbraw/zinc/88/34/57/775883457.db2.gz AWOCPEPSPRXEEU-SCZZXKLOSA-N 0 3 283.328 -1.390 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N[C@H]2CCN(CCO)[C@@H]2C)C1 ZINC001089015017 775885455 /nfs/dbraw/zinc/88/54/55/775885455.db2.gz XZADLKJOGRPMLX-KGYLQXTDSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CCN1CCO ZINC001089028568 775886086 /nfs/dbraw/zinc/88/60/86/775886086.db2.gz CQPYWKYLFGGVFD-ZJUUUORDSA-N 0 3 283.328 -1.293 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)c2ccc(=O)n(C)n2)CCN1CCO ZINC001089023725 775886474 /nfs/dbraw/zinc/88/64/74/775886474.db2.gz MYRYMRITCVDGIA-ZJUUUORDSA-N 0 3 280.328 -1.035 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001089049454 775886656 /nfs/dbraw/zinc/88/66/56/775886656.db2.gz LNTZWFZNQBLNCX-WXHSDQCUSA-N 0 3 299.371 -1.195 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@]1(C)CCOC1 ZINC001272285030 775888507 /nfs/dbraw/zinc/88/85/07/775888507.db2.gz YWTQWXHPUFXUHE-ZDUSSCGKSA-N 0 3 287.360 -1.431 20 0 CAADHN CO[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[n-]nnc2C)C1 ZINC001077494961 775889815 /nfs/dbraw/zinc/88/98/15/775889815.db2.gz LHQBQPREUKDOIL-FXBDTBDDSA-N 0 3 283.332 -1.077 20 0 CAADHN CO[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[n-]nnc2C)C1 ZINC001077494961 775889824 /nfs/dbraw/zinc/88/98/24/775889824.db2.gz LHQBQPREUKDOIL-FXBDTBDDSA-N 0 3 283.332 -1.077 20 0 CAADHN CC(C)(C(=O)N(CCO)CCNCC(N)=O)c1cnc[nH]1 ZINC001272295273 775890199 /nfs/dbraw/zinc/89/01/99/775890199.db2.gz OEONIUDBXGOENL-UHFFFAOYSA-N 0 3 297.359 -1.417 20 0 CAADHN Cc1nonc1C(=O)N(CCO)CCNCC(=O)N(C)C ZINC001272321789 775893016 /nfs/dbraw/zinc/89/30/16/775893016.db2.gz JZPSNRNOJUAXSI-UHFFFAOYSA-N 0 3 299.331 -1.510 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)C[C@@H]1NC(=O)CNC1=O)C2 ZINC001272326384 775893039 /nfs/dbraw/zinc/89/30/39/775893039.db2.gz XGUGSGRIOQMPMK-UTLUCORTSA-N 0 3 280.328 -1.846 20 0 CAADHN CN1CC2(C1)CCN(C(=O)C[C@@H]1NC(=O)CNC1=O)CC2 ZINC001272324658 775893753 /nfs/dbraw/zinc/89/37/53/775893753.db2.gz UOJYEPJZSPCBHR-JTQLQIEISA-N 0 3 294.355 -1.455 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508304 775894711 /nfs/dbraw/zinc/89/47/11/775894711.db2.gz ULWZITKXYHXLBE-GHMZBOCLSA-N 0 3 284.360 -2.012 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@@H]1CCNC1=O ZINC001077506835 775894785 /nfs/dbraw/zinc/89/47/85/775894785.db2.gz LZCMJPLWJPNKPN-GMTAPVOTSA-N 0 3 267.329 -1.306 20 0 CAADHN CCC(=O)NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O ZINC001272341378 775895337 /nfs/dbraw/zinc/89/53/37/775895337.db2.gz BKFIQWSVAFCRBJ-HTQZYQBOSA-N 0 3 257.290 -1.732 20 0 CAADHN CC(=O)NC[C@@H](O)CNCCN1CCCS1(=O)=O ZINC001272342606 775895642 /nfs/dbraw/zinc/89/56/42/775895642.db2.gz ILBSXFBCRVSJJT-JTQLQIEISA-N 0 3 279.362 -1.892 20 0 CAADHN CCC(=O)NC[C@@H](O)CN[C@H]1CCC(=O)NC1=O ZINC001272341387 775896009 /nfs/dbraw/zinc/89/60/09/775896009.db2.gz BKFIQWSVAFCRBJ-YUMQZZPRSA-N 0 3 257.290 -1.732 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)F ZINC001272352496 775897069 /nfs/dbraw/zinc/89/70/69/775897069.db2.gz VLEOXIHDFLKXAV-MRVPVSSYSA-N 0 3 263.313 -1.063 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C(F)F)C(=O)N(C)C ZINC001272350722 775897851 /nfs/dbraw/zinc/89/78/51/775897851.db2.gz DDOWNEJLGCDUBQ-NKWVEPMBSA-N 0 3 267.276 -1.205 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C(F)F)C(=O)N(C)C ZINC001272350724 775898313 /nfs/dbraw/zinc/89/83/13/775898313.db2.gz DDOWNEJLGCDUBQ-RQJHMYQMSA-N 0 3 267.276 -1.205 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CC1CC1 ZINC001272350726 775898495 /nfs/dbraw/zinc/89/84/95/775898495.db2.gz DEVSFADTNOMZAD-SNVBAGLBSA-N 0 3 257.334 -1.059 20 0 CAADHN C/C(=C\C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)C1CC1 ZINC001272371246 775899073 /nfs/dbraw/zinc/89/90/73/775899073.db2.gz KIMIXFNPRQFZNB-GOJXHPMJSA-N 0 3 298.343 -1.396 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001077510423 775899261 /nfs/dbraw/zinc/89/92/61/775899261.db2.gz UPFVVGVDBDKFCA-OUAUKWLOSA-N 0 3 284.360 -1.173 20 0 CAADHN CC(C)=CC(=O)NC[C@@H](O)CNCCNS(C)(=O)=O ZINC001272362605 775899721 /nfs/dbraw/zinc/89/97/21/775899721.db2.gz PPCQQFVLQASXPY-JTQLQIEISA-N 0 3 293.389 -1.432 20 0 CAADHN Cc1ccoc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001272361189 775899995 /nfs/dbraw/zinc/89/99/95/775899995.db2.gz FRKXKIARNXJGTC-MRVPVSSYSA-N 0 3 255.274 -1.246 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001272362443 775900035 /nfs/dbraw/zinc/90/00/35/775900035.db2.gz OAZPXMLOYNBTKC-HTRCEHHLSA-N 0 3 260.294 -2.937 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001077510357 775900232 /nfs/dbraw/zinc/90/02/32/775900232.db2.gz QSGMRHUVCYKKIW-OUAUKWLOSA-N 0 3 284.360 -1.029 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)[C@@H]1COCCO1 ZINC001272370658 775900363 /nfs/dbraw/zinc/90/03/63/775900363.db2.gz FVCJVNNLHWVCCZ-IUCAKERBSA-N 0 3 250.270 -1.562 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CNC(=O)CC(N)=O)C1=O ZINC001272378988 775900920 /nfs/dbraw/zinc/90/09/20/775900920.db2.gz HXVWJCRBVCLVAR-DTWKUNHWSA-N 0 3 286.332 -2.451 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](O)CNCCF ZINC001272372751 775900721 /nfs/dbraw/zinc/90/07/21/775900721.db2.gz RVDVUBJJYZSEOU-SSDOTTSWSA-N 0 3 251.258 -1.621 20 0 CAADHN CCO[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001272373554 775900773 /nfs/dbraw/zinc/90/07/73/775900773.db2.gz XCWQEASNSOZBAX-BDAKNGLRSA-N 0 3 261.322 -1.776 20 0 CAADHN CCO[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001272373556 775901633 /nfs/dbraw/zinc/90/16/33/775901633.db2.gz XCWQEASNSOZBAX-IUCAKERBSA-N 0 3 261.322 -1.776 20 0 CAADHN CCO[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)NC ZINC001272373555 775901603 /nfs/dbraw/zinc/90/16/03/775901603.db2.gz XCWQEASNSOZBAX-DTWKUNHWSA-N 0 3 261.322 -1.776 20 0 CAADHN CSC[C@@H](C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001272378943 775901659 /nfs/dbraw/zinc/90/16/59/775901659.db2.gz HDABERZJELMOJX-SFYZADRCSA-N 0 3 263.363 -1.463 20 0 CAADHN CSC[C@@H](C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001272378941 775901746 /nfs/dbraw/zinc/90/17/46/775901746.db2.gz HDABERZJELMOJX-HTQZYQBOSA-N 0 3 263.363 -1.463 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CC(N)=O)C(=O)N(C)C ZINC001272378710 775901779 /nfs/dbraw/zinc/90/17/79/775901779.db2.gz GNBSEURGVITCFZ-YUMQZZPRSA-N 0 3 274.321 -2.595 20 0 CAADHN C/C=C(\C)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001272388064 775902509 /nfs/dbraw/zinc/90/25/09/775902509.db2.gz ALENPOAUBFFHQQ-DKCNVOGISA-N 0 3 272.305 -1.786 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)[nH]1 ZINC001272381561 775902574 /nfs/dbraw/zinc/90/25/74/775902574.db2.gz UFALIROIZUYDPI-POYBYMJQSA-N 0 3 269.305 -1.728 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001272389679 775902720 /nfs/dbraw/zinc/90/27/20/775902720.db2.gz QOWHYXAVXIFDDX-VIFPVBQESA-N 0 3 269.305 -2.235 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)[nH]1 ZINC001272381560 775903218 /nfs/dbraw/zinc/90/32/18/775903218.db2.gz UFALIROIZUYDPI-HTRCEHHLSA-N 0 3 269.305 -1.728 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1ccoc1 ZINC001272398261 775905084 /nfs/dbraw/zinc/90/50/84/775905084.db2.gz OAUQONUGEWHSDA-SECBINFHSA-N 0 3 255.274 -1.626 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cncnc1)C(N)=O ZINC001272397407 775905546 /nfs/dbraw/zinc/90/55/46/775905546.db2.gz JKUKDJFZGOVUMB-VXNVDRBHSA-N 0 3 267.289 -1.969 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1ccoc1 ZINC001272398262 775906063 /nfs/dbraw/zinc/90/60/63/775906063.db2.gz OAUQONUGEWHSDA-VIFPVBQESA-N 0 3 255.274 -1.626 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cn(C)cn1)C(N)=O ZINC001272399785 775906732 /nfs/dbraw/zinc/90/67/32/775906732.db2.gz ZXPPXXCPFSGBTC-YUMQZZPRSA-N 0 3 269.305 -2.026 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[C@@H]1C(F)F ZINC001272405937 775906918 /nfs/dbraw/zinc/90/69/18/775906918.db2.gz DAKQRBJDRGBPDS-ACZMJKKPSA-N 0 3 265.260 -1.560 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C=C1CCC1)C(=O)NC(N)=O ZINC001272399205 775908086 /nfs/dbraw/zinc/90/80/86/775908086.db2.gz WOOFOPQXWQWUBK-WPRPVWTQSA-N 0 3 298.343 -1.253 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCC(=O)NC1=O)c1cc[nH]c1 ZINC001272424973 775908511 /nfs/dbraw/zinc/90/85/11/775908511.db2.gz GBLVCBXTPRVKLW-VHSXEESVSA-N 0 3 294.311 -1.500 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCC(=O)NC1=O)c1cc[nH]c1 ZINC001272424972 775910255 /nfs/dbraw/zinc/91/02/55/775910255.db2.gz GBLVCBXTPRVKLW-UWVGGRQHSA-N 0 3 294.311 -1.500 20 0 CAADHN Cn1ccc(CC(=O)NC[C@@H](O)CNCCF)n1 ZINC001272414957 775910281 /nfs/dbraw/zinc/91/02/81/775910281.db2.gz TZSGTIAHSHCWQW-JTQLQIEISA-N 0 3 258.297 -1.001 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CNCC(N)=O)CC1 ZINC001272470516 775914539 /nfs/dbraw/zinc/91/45/39/775914539.db2.gz PJKHJKUMGVBNTQ-MRVPVSSYSA-N 0 3 259.306 -2.035 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083696548 775915329 /nfs/dbraw/zinc/91/53/29/775915329.db2.gz FNCSSJBVKLNVCW-BBBLOLIVSA-N 0 3 270.333 -1.420 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)NC1=O ZINC001083700660 775918364 /nfs/dbraw/zinc/91/83/64/775918364.db2.gz SSFQRLRVMXZTSS-UTUOFQBUSA-N 0 3 296.371 -1.029 20 0 CAADHN CCCCN1C[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083700596 775918408 /nfs/dbraw/zinc/91/84/08/775918408.db2.gz QSGMRHUVCYKKIW-VWYCJHECSA-N 0 3 284.360 -1.029 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)[C@@H]1Cc2cncn2C(=O)N1 ZINC001272479046 775919891 /nfs/dbraw/zinc/91/98/91/775919891.db2.gz FEJJZOLBZYBYEQ-UWVGGRQHSA-N 0 3 299.306 -1.598 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H](O)CNC/C=C\Cl)NC1=O ZINC001272495694 775923122 /nfs/dbraw/zinc/92/31/22/775923122.db2.gz HPOLAYLKTGKMLO-BNEREYBLSA-N 0 3 290.751 -1.171 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2O)n1 ZINC001083706357 775923196 /nfs/dbraw/zinc/92/31/96/775923196.db2.gz XFQOLPHFRRSFKJ-ZJUUUORDSA-N 0 3 280.332 -1.215 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)c1c[nH]c(=O)cn1 ZINC001272504782 775923783 /nfs/dbraw/zinc/92/37/83/775923783.db2.gz QBZRSCJGJLHPFH-ZETCQYMHSA-N 0 3 258.253 -1.580 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)n1 ZINC001083707067 775924419 /nfs/dbraw/zinc/92/44/19/775924419.db2.gz UUYWDTSVFLDSMA-BBBLOLIVSA-N 0 3 296.331 -1.979 20 0 CAADHN Cc1nc(C)c(CNC[C@H](O)CNC(=O)C(N)=O)s1 ZINC001272505107 775924873 /nfs/dbraw/zinc/92/48/73/775924873.db2.gz SVMROAZKUBLWMM-QMMMGPOBSA-N 0 3 286.357 -1.188 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)n1 ZINC001083707066 775924985 /nfs/dbraw/zinc/92/49/85/775924985.db2.gz UUYWDTSVFLDSMA-AEJSXWLSSA-N 0 3 296.331 -1.979 20 0 CAADHN Cc1nc(C)c(CNC[C@@H](O)CNC(=O)C(N)=O)s1 ZINC001272505104 775925124 /nfs/dbraw/zinc/92/51/24/775925124.db2.gz SVMROAZKUBLWMM-MRVPVSSYSA-N 0 3 286.357 -1.188 20 0 CAADHN NC(=O)C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001272512558 775926416 /nfs/dbraw/zinc/92/64/16/775926416.db2.gz LCFAFNGRHDYEPN-BQBZGAKWSA-N 0 3 258.278 -3.183 20 0 CAADHN NC(=O)C(=O)NC[C@H](O)CNCc1ccns1 ZINC001272511881 775926532 /nfs/dbraw/zinc/92/65/32/775926532.db2.gz GSDCYKGCXOMFGR-ZCFIWIBFSA-N 0 3 258.303 -1.805 20 0 CAADHN CC1(C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)CC=CC1 ZINC001272511496 775926858 /nfs/dbraw/zinc/92/68/58/775926858.db2.gz CIZLUZLEHWTJEL-SECBINFHSA-N 0 3 298.343 -1.396 20 0 CAADHN C[C@H](NC(=O)CNC[C@@H](O)CNC(=O)C(N)=O)C1CC1 ZINC001272514830 775928229 /nfs/dbraw/zinc/92/82/29/775928229.db2.gz XZJDZJWMTGTBGL-IONNQARKSA-N 0 3 286.332 -2.547 20 0 CAADHN C[C@@H](NC(=O)CNC[C@@H](O)CNC(=O)C(N)=O)C1CC1 ZINC001272514837 775928854 /nfs/dbraw/zinc/92/88/54/775928854.db2.gz XZJDZJWMTGTBGL-VXNVDRBHSA-N 0 3 286.332 -2.547 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CC(F)(F)C(F)F ZINC001272521164 775929128 /nfs/dbraw/zinc/92/91/28/775929128.db2.gz NSLPEEPVTICHIW-YFKPBYRVSA-N 0 3 289.229 -1.171 20 0 CAADHN CCN(CC)CC(=O)N1CC[C@H]1CN(C)C(=O)C(N)=O ZINC001289998814 775929592 /nfs/dbraw/zinc/92/95/92/775929592.db2.gz GSVVWKKBKLQRJV-JTQLQIEISA-N 0 3 284.360 -1.127 20 0 CAADHN CN(C)CCN1CC2(CN(CC(=O)N(C)C)C2)OCC1=O ZINC001272534522 775930335 /nfs/dbraw/zinc/93/03/35/775930335.db2.gz KRXIYIZSTMDQPT-UHFFFAOYSA-N 0 3 298.387 -1.451 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCOC ZINC001122394707 775948796 /nfs/dbraw/zinc/94/87/96/775948796.db2.gz YRYLNZZKBROZGS-UHFFFAOYSA-N 0 3 260.294 -1.816 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)CC1 ZINC001272544447 775931624 /nfs/dbraw/zinc/93/16/24/775931624.db2.gz FRWOZVDTPYHAOO-HTQZYQBOSA-N 0 3 286.332 -2.547 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001272547055 775931792 /nfs/dbraw/zinc/93/17/92/775931792.db2.gz XFECAZSFBVISFP-DTWKUNHWSA-N 0 3 298.343 -2.532 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)NCC1CC1 ZINC001272552983 775932229 /nfs/dbraw/zinc/93/22/29/775932229.db2.gz NGXMMNQHBPQVIV-VHSXEESVSA-N 0 3 298.343 -2.532 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)CC1 ZINC001272544455 775932569 /nfs/dbraw/zinc/93/25/69/775932569.db2.gz FRWOZVDTPYHAOO-YUMQZZPRSA-N 0 3 286.332 -2.547 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001272567565 775936311 /nfs/dbraw/zinc/93/63/11/775936311.db2.gz RTGYBHLXBMHBAH-QMMMGPOBSA-N 0 3 269.305 -2.187 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CN(CC3CCC3)C[C@H]2O)n1 ZINC001077526720 775938876 /nfs/dbraw/zinc/93/88/76/775938876.db2.gz XFQOLPHFRRSFKJ-NXEZZACHSA-N 0 3 280.332 -1.215 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001122181519 775940993 /nfs/dbraw/zinc/94/09/93/775940993.db2.gz KJKGCWZFJXQFLO-OPRDCNLKSA-N 0 3 253.302 -1.479 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccn(C)n1 ZINC001272574865 775941011 /nfs/dbraw/zinc/94/10/11/775941011.db2.gz LGOXGUWTRTWKNG-QMMMGPOBSA-N 0 3 269.305 -2.154 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]cc1C ZINC001272575622 775941955 /nfs/dbraw/zinc/94/19/55/775941955.db2.gz PWRVMJDZZXPFQC-SECBINFHSA-N 0 3 268.317 -1.251 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnc(N(C)C)cn1)C(N)=O ZINC001127284251 775942424 /nfs/dbraw/zinc/94/24/24/775942424.db2.gz GCBROCJLCFKZMY-MRVPVSSYSA-N 0 3 280.332 -1.264 20 0 CAADHN COCCN1CC[C@@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046588811 775945476 /nfs/dbraw/zinc/94/54/76/775945476.db2.gz RIHXKAWPMRSGBL-JOYOIKCWSA-N 0 3 270.333 -1.105 20 0 CAADHN COCC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001122330876 775946634 /nfs/dbraw/zinc/94/66/34/775946634.db2.gz QOZZQJWYRFJHNU-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN COCCN1CC[C@](C)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001046588810 775946726 /nfs/dbraw/zinc/94/67/26/775946726.db2.gz RIHXKAWPMRSGBL-CABZTGNLSA-N 0 3 270.333 -1.105 20 0 CAADHN COCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001122338003 775946893 /nfs/dbraw/zinc/94/68/93/775946893.db2.gz VIDZPQZULCLHKR-QMMMGPOBSA-N 0 3 286.332 -1.285 20 0 CAADHN Cc1nn([C@H]2CCOC2)cc1C(=O)NCCNCC(N)=O ZINC001127299034 775947448 /nfs/dbraw/zinc/94/74/48/775947448.db2.gz KLQWXDRHCNWEOD-JTQLQIEISA-N 0 3 295.343 -1.042 20 0 CAADHN COCCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001122393650 775947592 /nfs/dbraw/zinc/94/75/92/775947592.db2.gz KFIKRJFZLAPJSR-UHFFFAOYSA-N 0 3 286.332 -1.283 20 0 CAADHN CNC(=O)C1CCN(C(=O)CNCCNC(C)=O)CC1 ZINC001122372292 775947717 /nfs/dbraw/zinc/94/77/17/775947717.db2.gz AHAGVYQVBORBHB-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN COCCC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001122409145 775947759 /nfs/dbraw/zinc/94/77/59/775947759.db2.gz GHUIEEWXEJYPJZ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN COCCC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001122409144 775948528 /nfs/dbraw/zinc/94/85/28/775948528.db2.gz GHUIEEWXEJYPJZ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CN(CCO)CCN(C)C(=O)C1=NN(C)C(=O)CC1 ZINC000691262870 775948768 /nfs/dbraw/zinc/94/87/68/775948768.db2.gz UPLVFIRJIBXQCA-UHFFFAOYSA-N 0 3 270.333 -1.023 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCOC ZINC001122387504 775948670 /nfs/dbraw/zinc/94/86/70/775948670.db2.gz DBZWNQFRCPMNHY-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C)C(N)=O ZINC001106365740 775953644 /nfs/dbraw/zinc/95/36/44/775953644.db2.gz ZRAGSEFHORKHDI-HRDYMLBCSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C)C(N)=O ZINC001106365741 775954074 /nfs/dbraw/zinc/95/40/74/775954074.db2.gz ZRAGSEFHORKHDI-IWSPIJDZSA-N 0 3 280.332 -1.024 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C ZINC001106365413 775954244 /nfs/dbraw/zinc/95/42/44/775954244.db2.gz QZUDARYEZSTDKJ-RKDXNWHRSA-N 0 3 280.332 -1.152 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)CNC(C)=O ZINC001122667330 775955474 /nfs/dbraw/zinc/95/54/74/775955474.db2.gz ASYLUTMKZAAHCT-UHFFFAOYSA-N 0 3 288.348 -2.019 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)NCC1CC1 ZINC001122668237 775955770 /nfs/dbraw/zinc/95/57/70/775955770.db2.gz XBFUAJUWVMGRQF-UHFFFAOYSA-N 0 3 270.333 -1.646 20 0 CAADHN Cc1nn[n-]c1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106511791 775956347 /nfs/dbraw/zinc/95/63/47/775956347.db2.gz YKDXTFGJZKHOMO-VXNVDRBHSA-N 0 3 280.332 -1.104 20 0 CAADHN CCOCC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001122973725 775956862 /nfs/dbraw/zinc/95/68/62/775956862.db2.gz UGCMTYLPVZKBAV-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001122940773 775957196 /nfs/dbraw/zinc/95/71/96/775957196.db2.gz YCXORFQEAMMNLB-MWLCHTKSSA-N 0 3 294.355 -1.054 20 0 CAADHN CCOCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001122973028 775957905 /nfs/dbraw/zinc/95/79/05/775957905.db2.gz KKNBBTKWKAJNBF-UHFFFAOYSA-N 0 3 293.389 -1.236 20 0 CAADHN CCOCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001122973881 775958676 /nfs/dbraw/zinc/95/86/76/775958676.db2.gz YIWQHQPEJUUNBS-QMMMGPOBSA-N 0 3 257.290 -1.466 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cc[n+]([O-])cc1 ZINC001123039476 775958874 /nfs/dbraw/zinc/95/88/74/775958874.db2.gz GEPXOCBDIWXBCU-JTQLQIEISA-N 0 3 264.285 -1.472 20 0 CAADHN O=C(CNCCNC(=O)C1=COCCO1)N1CCOCC1 ZINC001123019450 775959157 /nfs/dbraw/zinc/95/91/57/775959157.db2.gz KHPDQQYKRCRTCP-UHFFFAOYSA-N 0 3 299.327 -1.561 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cc[n+]([O-])cc1 ZINC001123039483 775959284 /nfs/dbraw/zinc/95/92/84/775959284.db2.gz GEPXOCBDIWXBCU-SNVBAGLBSA-N 0 3 264.285 -1.472 20 0 CAADHN CC1(C)CC(=O)N(CC(=O)NCCNCC(N)=O)C1=O ZINC001127374337 775960038 /nfs/dbraw/zinc/96/00/38/775960038.db2.gz PHCKWZQOZLPFHZ-UHFFFAOYSA-N 0 3 284.316 -2.037 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001123071947 775960451 /nfs/dbraw/zinc/96/04/51/775960451.db2.gz IUWFROMAARUKQQ-VXNVDRBHSA-N 0 3 256.306 -1.895 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001123070919 775961339 /nfs/dbraw/zinc/96/13/39/775961339.db2.gz ABCSHQRARKKMGJ-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@H]1CCNC1=O ZINC001123071944 775961383 /nfs/dbraw/zinc/96/13/83/775961383.db2.gz IUWFROMAARUKQQ-APPZFPTMSA-N 0 3 256.306 -1.895 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123072502 775961800 /nfs/dbraw/zinc/96/18/00/775961800.db2.gz RFFBCJGCQAXKBT-IONNQARKSA-N 0 3 284.316 -1.978 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001083735322 775962664 /nfs/dbraw/zinc/96/26/64/775962664.db2.gz WWLLBWGRVGBDCC-ZJUUUORDSA-N 0 3 266.301 -1.047 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)CNC(N)=O ZINC001123236015 775963030 /nfs/dbraw/zinc/96/30/30/775963030.db2.gz TZOQUEWBCIBBPM-UHFFFAOYSA-N 0 3 273.337 -1.771 20 0 CAADHN CCCN1C[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001083735227 775963114 /nfs/dbraw/zinc/96/31/14/775963114.db2.gz RUJPOEANSRNPAH-ZJUUUORDSA-N 0 3 266.301 -1.045 20 0 CAADHN CSCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001123173445 775963798 /nfs/dbraw/zinc/96/37/98/775963798.db2.gz TVVAUDAJSQCPAJ-ZETCQYMHSA-N 0 3 259.331 -1.140 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CCCC1=O ZINC001123335217 775964478 /nfs/dbraw/zinc/96/44/78/775964478.db2.gz IIDHDQOBYLNTQA-UHFFFAOYSA-N 0 3 256.306 -1.939 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+]CC(N)=O ZINC001106778241 775965029 /nfs/dbraw/zinc/96/50/29/775965029.db2.gz AKTCVEBPHXNYKT-HTQZYQBOSA-N 0 3 266.305 -1.412 20 0 CAADHN CCC[C@H](C)NC(=O)CNCCNC(=O)CNC(N)=O ZINC001123257494 775965161 /nfs/dbraw/zinc/96/51/61/775965161.db2.gz IRERNENETRUEKB-VIFPVBQESA-N 0 3 287.364 -1.335 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001123258187 775965404 /nfs/dbraw/zinc/96/54/04/775965404.db2.gz NZUAHXIJSLUFDT-UHFFFAOYSA-N 0 3 299.253 -1.961 20 0 CAADHN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C)C(N)=O ZINC001106778270 775965418 /nfs/dbraw/zinc/96/54/18/775965418.db2.gz BMZPSKCRLKRIFQ-IWSPIJDZSA-N 0 3 280.332 -1.024 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)CNC(N)=O ZINC001123263158 775965806 /nfs/dbraw/zinc/96/58/06/775965806.db2.gz JBNPPAZWPGGUHO-QMMMGPOBSA-N 0 3 273.337 -1.725 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)CNC(N)=O ZINC001123263156 775965862 /nfs/dbraw/zinc/96/58/62/775965862.db2.gz JBNPPAZWPGGUHO-MRVPVSSYSA-N 0 3 273.337 -1.725 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740687 775966541 /nfs/dbraw/zinc/96/65/41/775966541.db2.gz LSQUKALPVQWXSZ-HLTSFMKQSA-N 0 3 256.306 -1.761 20 0 CAADHN CCCCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083741022 775966863 /nfs/dbraw/zinc/96/68/63/775966863.db2.gz WMGKMRWXHKVIPR-BBBLOLIVSA-N 0 3 270.333 -1.371 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280565029 775967145 /nfs/dbraw/zinc/96/71/45/775967145.db2.gz BXNVNJDHCBZXDF-SECBINFHSA-N 0 3 286.332 -2.233 20 0 CAADHN O=C(N[C@@H]1CN(CCC2CC2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083740406 775967444 /nfs/dbraw/zinc/96/74/44/775967444.db2.gz BLPCAEPHDNRPGL-MXWKQRLJSA-N 0 3 282.344 -1.371 20 0 CAADHN CC(C)CCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740935 775968159 /nfs/dbraw/zinc/96/81/59/775968159.db2.gz UIOHXYHCDYLCOT-AXFHLTTASA-N 0 3 284.360 -1.125 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1O ZINC001083744135 775970374 /nfs/dbraw/zinc/97/03/74/775970374.db2.gz YSZFRERDIGIDID-AEJSXWLSSA-N 0 3 271.317 -1.940 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@@H]1O ZINC001083744136 775971382 /nfs/dbraw/zinc/97/13/82/775971382.db2.gz YSZFRERDIGIDID-BBBLOLIVSA-N 0 3 271.317 -1.940 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001083744582 775972303 /nfs/dbraw/zinc/97/23/03/775972303.db2.gz SUHSADQDVGEQII-HLTSFMKQSA-N 0 3 257.290 -2.331 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(CC2CCOCC2)C[C@@H]1O ZINC001083744401 775972975 /nfs/dbraw/zinc/97/29/75/775972975.db2.gz LWGMVWNPZQSUCR-ZJUUUORDSA-N 0 3 271.317 -1.940 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001083744583 775973519 /nfs/dbraw/zinc/97/35/19/775973519.db2.gz SUHSADQDVGEQII-YIZRAAEISA-N 0 3 257.290 -2.331 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)Cn1cccn1 ZINC001123515502 775974800 /nfs/dbraw/zinc/97/48/00/775974800.db2.gz ONYLCRWJJKFXPD-UHFFFAOYSA-N 0 3 297.359 -1.258 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnn(C)c1C ZINC001123592232 775975995 /nfs/dbraw/zinc/97/59/95/775975995.db2.gz OYAKXHRFEAOVLI-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN C[C@H]1CN2CCN1C[C@H]2C(=O)NCc1cn[nH]n1 ZINC001123732005 775978188 /nfs/dbraw/zinc/97/81/88/775978188.db2.gz ODIRFMILVDSHNH-WPRPVWTQSA-N 0 3 250.306 -1.191 20 0 CAADHN O=C(CCn1cncn1)NCCN[C@H]1CCC(=O)NC1=O ZINC001123670349 775978236 /nfs/dbraw/zinc/97/82/36/775978236.db2.gz DYFRKVAJMOFFBN-VIFPVBQESA-N 0 3 294.315 -1.821 20 0 CAADHN CC(C)C(=O)NCCNCCNS(C)(=O)=O ZINC001123700709 775978323 /nfs/dbraw/zinc/97/83/23/775978323.db2.gz AFSQNEDHPIWXJX-UHFFFAOYSA-N 0 3 251.352 -1.103 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCc1cn[nH]n1 ZINC001123732002 775978422 /nfs/dbraw/zinc/97/84/22/775978422.db2.gz ODIRFMILVDSHNH-PSASIEDQSA-N 0 3 250.306 -1.191 20 0 CAADHN O=C(CCn1cncn1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123670342 775978433 /nfs/dbraw/zinc/97/84/33/775978433.db2.gz DYFRKVAJMOFFBN-SECBINFHSA-N 0 3 294.315 -1.821 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433288 775978865 /nfs/dbraw/zinc/97/88/65/775978865.db2.gz KJLKZLGJHXIQID-UHFFFAOYSA-N 0 3 295.347 -1.753 20 0 CAADHN O=C(Cn1ncnn1)NCCN[C@@H]1CCNC1=O ZINC001127433178 775979165 /nfs/dbraw/zinc/97/91/65/775979165.db2.gz HOCJACYHOCCNOT-SSDOTTSWSA-N 0 3 253.266 -2.733 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433307 775979387 /nfs/dbraw/zinc/97/93/87/775979387.db2.gz KRIPIDQEUDWHKF-UHFFFAOYSA-N 0 3 269.309 -2.143 20 0 CAADHN O=C(CNCCNC(=O)Cn1ncnn1)NC1CCCC1 ZINC001127433125 775979437 /nfs/dbraw/zinc/97/94/37/775979437.db2.gz GEPSSMBCMPELMS-UHFFFAOYSA-N 0 3 295.347 -1.562 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433093 775979450 /nfs/dbraw/zinc/97/94/50/775979450.db2.gz DMJVHBPDHONDRV-UHFFFAOYSA-N 0 3 283.336 -1.754 20 0 CAADHN CCCNC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433015 775979726 /nfs/dbraw/zinc/97/97/26/775979726.db2.gz BFMJHKYFRCITBK-UHFFFAOYSA-N 0 3 269.309 -2.095 20 0 CAADHN Cc1nn(C)cc1CNCCNC(=O)Cn1ncnn1 ZINC001127433257 775979803 /nfs/dbraw/zinc/97/98/03/775979803.db2.gz JXTMDDSLVHYZFS-UHFFFAOYSA-N 0 3 278.320 -1.379 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433505 775979868 /nfs/dbraw/zinc/97/98/68/775979868.db2.gz POROYWKHEJUKJF-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN O=C(CNCCNC(=O)Cn1ncnn1)NCC1CC1 ZINC001127433055 775979925 /nfs/dbraw/zinc/97/99/25/775979925.db2.gz CEHTWGYDMMGDMV-UHFFFAOYSA-N 0 3 281.320 -2.095 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433894 775981049 /nfs/dbraw/zinc/98/10/49/775981049.db2.gz YYRCXRUZDNUEMW-UHFFFAOYSA-N 0 3 284.280 -3.166 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)Cn2ncnn2)C1=O ZINC001127437440 775981141 /nfs/dbraw/zinc/98/11/41/775981141.db2.gz BGPZCUPGDVCJBY-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN COc1ccc(CNCCNC(=O)Cn2ncnn2)cn1 ZINC001127433818 775981575 /nfs/dbraw/zinc/98/15/75/775981575.db2.gz VOSQRNXMQZEDBR-UHFFFAOYSA-N 0 3 291.315 -1.017 20 0 CAADHN CC(=O)N(C)CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001123811096 775981997 /nfs/dbraw/zinc/98/19/97/775981997.db2.gz WFUOIHVGDLMSLM-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001123815440 775982022 /nfs/dbraw/zinc/98/20/22/775982022.db2.gz UUEIJBCSODJWOP-SNVBAGLBSA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127438130 775982301 /nfs/dbraw/zinc/98/23/01/775982301.db2.gz NOJZBNFBVZFBLL-SSDOTTSWSA-N 0 3 255.282 -2.487 20 0 CAADHN CC(C)(C)CNC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127442803 775982324 /nfs/dbraw/zinc/98/23/24/775982324.db2.gz JITHQKQKJXPZLY-UHFFFAOYSA-N 0 3 297.363 -1.459 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cn1ncnn1 ZINC001127442610 775982968 /nfs/dbraw/zinc/98/29/68/775982968.db2.gz IJINUXGHAJJBOU-UHFFFAOYSA-N 0 3 291.337 -3.072 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001123815540 775983114 /nfs/dbraw/zinc/98/31/14/775983114.db2.gz XOJGHWOUBNOYGL-VIFPVBQESA-N 0 3 272.349 -1.353 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)Cn2ncnn2)C1=O ZINC001127443218 775984067 /nfs/dbraw/zinc/98/40/67/775984067.db2.gz QXRLJJWYMVGIHC-JTQLQIEISA-N 0 3 295.347 -1.612 20 0 CAADHN CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449496 775984185 /nfs/dbraw/zinc/98/41/85/775984185.db2.gz JYQJETORDCTABG-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)Cn1ncnn1)C1CC1 ZINC001127442839 775984749 /nfs/dbraw/zinc/98/47/49/775984749.db2.gz KCTRJOLGDFTYKH-VIFPVBQESA-N 0 3 295.347 -1.706 20 0 CAADHN CCC[C@H](C)NC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127443152 775984843 /nfs/dbraw/zinc/98/48/43/775984843.db2.gz OGUPOMOVEYNBAP-JTQLQIEISA-N 0 3 297.363 -1.316 20 0 CAADHN COc1cc(C(=O)NCCNCC(N)=O)ncn1 ZINC001127463762 775985357 /nfs/dbraw/zinc/98/53/57/775985357.db2.gz CZBOEQNQKFUBHN-UHFFFAOYSA-N 0 3 253.262 -1.710 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@H](NC(=O)C(N)=O)CC(C)(C)C1 ZINC001089479141 775985436 /nfs/dbraw/zinc/98/54/36/775985436.db2.gz CWEFZNWNFBYDDT-IUCAKERBSA-N 0 3 284.360 -1.048 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1COCCO1 ZINC001123870522 775986024 /nfs/dbraw/zinc/98/60/24/775986024.db2.gz WALFLMYEJMQIMX-SNVBAGLBSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@H](NC(=O)C(N)=O)CC(C)(C)C1 ZINC001089479138 775986365 /nfs/dbraw/zinc/98/63/65/775986365.db2.gz CWEFZNWNFBYDDT-DTWKUNHWSA-N 0 3 284.360 -1.048 20 0 CAADHN CC1(C)C[C@@H](NC(=O)C(N)=O)CCN([C@@H]2CCNC2=O)C1 ZINC001089477698 775986784 /nfs/dbraw/zinc/98/67/84/775986784.db2.gz ZJGLMUHNTYSYOP-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2COCCO2)C1=O ZINC001123883991 775988069 /nfs/dbraw/zinc/98/80/69/775988069.db2.gz SRAHEMIZFDXDAE-ZJUUUORDSA-N 0 3 271.317 -1.662 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)SC ZINC001123943049 775988168 /nfs/dbraw/zinc/98/81/68/775988168.db2.gz LBWBBGFGIFQJOQ-SSDOTTSWSA-N 0 3 276.362 -1.101 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1COCCO1)C(=O)N(C)C ZINC001123883974 775988177 /nfs/dbraw/zinc/98/81/77/775988177.db2.gz SLSCBZXAGHJQIK-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001127554162 775989256 /nfs/dbraw/zinc/98/92/56/775989256.db2.gz JGNSTXYZCAHIDL-HTQZYQBOSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001127554265 775989501 /nfs/dbraw/zinc/98/95/01/775989501.db2.gz OMTVROHANZKMLF-KXUCPTDWSA-N 0 3 282.344 -1.505 20 0 CAADHN O=C(COCC1CC1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124021749 775989578 /nfs/dbraw/zinc/98/95/78/775989578.db2.gz XABPKPVYCXUJOA-SNVBAGLBSA-N 0 3 283.328 -1.076 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)NCCNCC(N)=O)C1 ZINC001127554022 775989990 /nfs/dbraw/zinc/98/99/90/775989990.db2.gz DHNFJBAFYBYXTN-HTQZYQBOSA-N 0 3 256.306 -1.908 20 0 CAADHN CCO[C@H](C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001123968595 775990156 /nfs/dbraw/zinc/99/01/56/775990156.db2.gz PUBGUMQSRYSDMZ-BDAKNGLRSA-N 0 3 271.317 -1.078 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cncnc1C ZINC001124113669 775992079 /nfs/dbraw/zinc/99/20/79/775992079.db2.gz SSVRWALNECSZGL-UHFFFAOYSA-N 0 3 251.290 -1.150 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CNC(=O)C1CC1 ZINC001124088786 775992107 /nfs/dbraw/zinc/99/21/07/775992107.db2.gz KLQFHYNXWKQEME-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN O=C(CNCCNC(=O)c1cn[nH]c1)N1CCOCC1 ZINC001124055530 775992148 /nfs/dbraw/zinc/99/21/48/775992148.db2.gz FBFCEPUVKMMNQU-UHFFFAOYSA-N 0 3 281.316 -1.412 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1cn[nH]c1 ZINC001124067961 775992772 /nfs/dbraw/zinc/99/27/72/775992772.db2.gz RWEMVHNFRPEWBY-UHFFFAOYSA-N 0 3 283.332 -1.118 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)C1CC1)C(=O)NC1CC1 ZINC001124089210 775992860 /nfs/dbraw/zinc/99/28/60/775992860.db2.gz XVRGCZPATHRQAR-VIFPVBQESA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)C1CC1)C(=O)NC1CC1 ZINC001124089209 775993253 /nfs/dbraw/zinc/99/32/53/775993253.db2.gz XVRGCZPATHRQAR-SECBINFHSA-N 0 3 296.371 -1.115 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CNC(=O)C1CC1 ZINC001124083991 775993371 /nfs/dbraw/zinc/99/33/71/775993371.db2.gz BPDHQFUEEDRJAV-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001127570651 775994040 /nfs/dbraw/zinc/99/40/40/775994040.db2.gz ANTFRSCEVIBNJU-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)C1 ZINC001127571673 775994295 /nfs/dbraw/zinc/99/42/95/775994295.db2.gz XBTYNIHKJOBYTI-GMTAPVOTSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)c1ccnn1C ZINC001127576810 775994428 /nfs/dbraw/zinc/99/44/28/775994428.db2.gz XNWQTDNHUBKRRR-SECBINFHSA-N 0 3 267.333 -1.025 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)c1ccnn1C ZINC001127583291 775995016 /nfs/dbraw/zinc/99/50/16/775995016.db2.gz NHMDQOKICDMCCJ-MRVPVSSYSA-N 0 3 296.331 -1.576 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC(N)=O)c1ccnn1C ZINC001127583292 775995052 /nfs/dbraw/zinc/99/50/52/775995052.db2.gz NHMDQOKICDMCCJ-QMMMGPOBSA-N 0 3 296.331 -1.576 20 0 CAADHN CO[C@@H](C)C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001124273497 775996179 /nfs/dbraw/zinc/99/61/79/775996179.db2.gz PMQFPLDAMMRBQM-VIFPVBQESA-N 0 3 281.378 -1.382 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)nn1C ZINC001124264976 775996197 /nfs/dbraw/zinc/99/61/97/775996197.db2.gz CNMMUGVLWWMHTJ-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)c1ccon1 ZINC001124205176 775997420 /nfs/dbraw/zinc/99/74/20/775997420.db2.gz NLJFHJPRDCLZEX-UHFFFAOYSA-N 0 3 290.345 -1.067 20 0 CAADHN Cc1cc(C(=O)NCCNCC(=O)NC(N)=O)nn1C ZINC001124281912 775997521 /nfs/dbraw/zinc/99/75/21/775997521.db2.gz NFGBEJULHPIOOF-UHFFFAOYSA-N 0 3 282.304 -1.757 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)[C@H](C)OC ZINC001124292509 775998149 /nfs/dbraw/zinc/99/81/49/775998149.db2.gz HVLUZHUDPPRSKP-VIFPVBQESA-N 0 3 281.378 -1.334 20 0 CAADHN CO[C@@H](C)C(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001124293863 775998201 /nfs/dbraw/zinc/99/82/01/775998201.db2.gz XXXHSFFEWSXHKS-WDEREUQCSA-N 0 3 287.360 -1.120 20 0 CAADHN CO[C@@H](C)C(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001124293862 775998723 /nfs/dbraw/zinc/99/87/23/775998723.db2.gz XXXHSFFEWSXHKS-QWRGUYRKSA-N 0 3 287.360 -1.120 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653273 775999587 /nfs/dbraw/zinc/99/95/87/775999587.db2.gz PZNGQXDUKGTXJT-SSDOTTSWSA-N 0 3 297.319 -2.783 20 0 CAADHN CC(C)CO[C@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001124331680 775999908 /nfs/dbraw/zinc/99/99/08/775999908.db2.gz XNPFOROHJXLDOF-SECBINFHSA-N 0 3 288.348 -1.052 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653337 775999991 /nfs/dbraw/zinc/99/99/91/775999991.db2.gz SQSQIOAPBRGMKG-UHFFFAOYSA-N 0 3 297.319 -2.829 20 0 CAADHN NC(=O)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(N)=O)C1 ZINC001089853209 776000536 /nfs/dbraw/zinc/00/05/36/776000536.db2.gz RDFIXXMIMQLBDZ-XKNYDFJKSA-N 0 3 280.328 -1.874 20 0 CAADHN CS(=O)(=O)CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124362853 776000635 /nfs/dbraw/zinc/00/06/35/776000635.db2.gz RISNZYUBLLOCCK-SSDOTTSWSA-N 0 3 291.329 -2.458 20 0 CAADHN NC(=O)c1ncn(CC(=O)NCCNC/C=C/Cl)n1 ZINC001127690484 776001505 /nfs/dbraw/zinc/00/15/05/776001505.db2.gz KTHAXCQKVXTVKZ-OWOJBTEDSA-N 0 3 286.723 -1.165 20 0 CAADHN CCO[C@@H](CC)C(=O)NCCNCC(=O)NC(=O)NC ZINC001124393061 776002751 /nfs/dbraw/zinc/00/27/51/776002751.db2.gz VAQOVMTYSQAROL-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@@H]1[C@H](C(=O)NCCNCc2nc(=O)n(C)[n-]2)CC[N@@H+]1C ZINC001127685503 776002994 /nfs/dbraw/zinc/00/29/94/776002994.db2.gz PZAUNHJCNBCKSF-NXEZZACHSA-N 0 3 296.375 -1.346 20 0 CAADHN C[C@@H]1[C@H](C(=O)NCCNCc2nc(=O)n(C)[n-]2)CC[N@H+]1C ZINC001127685503 776003000 /nfs/dbraw/zinc/00/30/00/776003000.db2.gz PZAUNHJCNBCKSF-NXEZZACHSA-N 0 3 296.375 -1.346 20 0 CAADHN CN(C(=O)c1cn[nH]c(=O)c1)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047418872 776003960 /nfs/dbraw/zinc/00/39/60/776003960.db2.gz IJWCWIZVWROZAS-QWRGUYRKSA-N 0 3 296.327 -1.318 20 0 CAADHN CN(CCNCCNC(=O)[C@H]1CCOC1)S(C)(=O)=O ZINC001124501729 776003993 /nfs/dbraw/zinc/00/39/93/776003993.db2.gz MUCWFWIHTUPNPS-JTQLQIEISA-N 0 3 293.389 -1.380 20 0 CAADHN C[C@@H]1CN(C(=O)CNCCNC(=O)[C@H]2CCOC2)CCO1 ZINC001124507964 776004070 /nfs/dbraw/zinc/00/40/70/776004070.db2.gz ALODQCIWHUVZGK-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN CC(C)OCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124431883 776004929 /nfs/dbraw/zinc/00/49/29/776004929.db2.gz AADKQHACRAIMCW-SECBINFHSA-N 0 3 271.317 -1.078 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccnc(F)c1 ZINC001124526508 776005168 /nfs/dbraw/zinc/00/51/68/776005168.db2.gz GMQJQECYAWPUSB-UHFFFAOYSA-N 0 3 297.290 -1.004 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)[C@@H]1CCOC1 ZINC001124500717 776005219 /nfs/dbraw/zinc/00/52/19/776005219.db2.gz DEFJKRNSZRVEQT-LLVKDONJSA-N 0 3 287.360 -1.119 20 0 CAADHN CCCOCC(=O)NCCNCC(=O)NC(=O)NCC ZINC001124444894 776005273 /nfs/dbraw/zinc/00/52/73/776005273.db2.gz ZSDPRVAPFJSWIG-UHFFFAOYSA-N 0 3 288.348 -1.036 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC000691259636 776013571 /nfs/dbraw/zinc/01/35/71/776013571.db2.gz REQGCQBROSPUFZ-SNVBAGLBSA-N 0 3 257.334 -1.105 20 0 CAADHN CC[C@@H](OC)C(=O)NCCNCC(=O)NC(=O)NC ZINC001124565746 776005763 /nfs/dbraw/zinc/00/57/63/776005763.db2.gz BXMZVVVDYPQDCB-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN CO[C@H](C)CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124595188 776005888 /nfs/dbraw/zinc/00/58/88/776005888.db2.gz VWMCSUJKOGBKHN-RKDXNWHRSA-N 0 3 271.317 -1.078 20 0 CAADHN Cn1nccc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001124544712 776006081 /nfs/dbraw/zinc/00/60/81/776006081.db2.gz OGHUWXDPJJUPKM-MRVPVSSYSA-N 0 3 251.290 -1.372 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccnn1C ZINC001124551004 776006185 /nfs/dbraw/zinc/00/61/85/776006185.db2.gz SRIDOAJTNJDGNX-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN CC[C@@H](OC)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124550330 776006226 /nfs/dbraw/zinc/00/62/26/776006226.db2.gz GNAYYBADHRAMNA-RKDXNWHRSA-N 0 3 271.317 -1.078 20 0 CAADHN CC[C@H](OC)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001124562114 776006304 /nfs/dbraw/zinc/00/63/04/776006304.db2.gz VTXZZGPZSPRDHU-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN Cn1cc(CC(=O)NCCN[C@@H]2CCNC2=O)cn1 ZINC001124622030 776006378 /nfs/dbraw/zinc/00/63/78/776006378.db2.gz RMGYTNLTUNWRKQ-SNVBAGLBSA-N 0 3 265.317 -1.443 20 0 CAADHN Cn1cc(CC(=O)NCCN[C@@H]2CCC(=O)NC2=O)cn1 ZINC001124622051 776006558 /nfs/dbraw/zinc/00/65/58/776006558.db2.gz RVSZSKBTOKVHBF-SNVBAGLBSA-N 0 3 293.327 -1.526 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cc1cnn(C)c1 ZINC001124612795 776006572 /nfs/dbraw/zinc/00/65/72/776006572.db2.gz HAUJFOWGJXVJNV-UHFFFAOYSA-N 0 3 267.333 -1.243 20 0 CAADHN CC[C@H](OC)C(=O)NCCNCCNS(C)(=O)=O ZINC001124556187 776006984 /nfs/dbraw/zinc/00/69/84/776006984.db2.gz IMKWCGPVRXCTNR-VIFPVBQESA-N 0 3 281.378 -1.334 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C[C@@H](C)OC ZINC001124608673 776007057 /nfs/dbraw/zinc/00/70/57/776007057.db2.gz ZQBSESXDYHXEDB-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN Cn1cc(CC(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001124613657 776007089 /nfs/dbraw/zinc/00/70/89/776007089.db2.gz QHLONJAYYPPJHL-UHFFFAOYSA-N 0 3 282.304 -2.137 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCCCOC ZINC001124573149 776007226 /nfs/dbraw/zinc/00/72/26/776007226.db2.gz NOBGPTSLYGRYGO-UHFFFAOYSA-N 0 3 288.348 -1.036 20 0 CAADHN CO[C@@H](C)CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124595186 776007260 /nfs/dbraw/zinc/00/72/60/776007260.db2.gz VWMCSUJKOGBKHN-DTWKUNHWSA-N 0 3 271.317 -1.078 20 0 CAADHN CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)CCc1nnc[n-]1 ZINC001272710319 776008222 /nfs/dbraw/zinc/00/82/22/776008222.db2.gz BQMSRAWCLGWDRK-SECBINFHSA-N 0 3 282.348 -1.032 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001124662150 776008761 /nfs/dbraw/zinc/00/87/61/776008761.db2.gz JTKVMKBKQIJRPD-VHSXEESVSA-N 0 3 283.328 -1.220 20 0 CAADHN CCCCN1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](O)C1 ZINC001083776450 776009436 /nfs/dbraw/zinc/00/94/36/776009436.db2.gz XAJSZKHMYWIMNZ-NOOOWODRSA-N 0 3 299.371 -1.019 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1CCCOC1 ZINC001124691005 776010330 /nfs/dbraw/zinc/01/03/30/776010330.db2.gz LVYZOUPRWCNGKZ-VHSXEESVSA-N 0 3 283.328 -1.076 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001124732225 776011303 /nfs/dbraw/zinc/01/13/03/776011303.db2.gz HNGPYIGJOOFNGT-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)[C@H](C)COC ZINC001124760797 776011937 /nfs/dbraw/zinc/01/19/37/776011937.db2.gz QEARLWVPOGZMON-SNVBAGLBSA-N 0 3 295.405 -1.086 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCOC1)C(=O)NC(N)=O ZINC001124711570 776012136 /nfs/dbraw/zinc/01/21/36/776012136.db2.gz QZFRVYIWTHVXMB-DTWKUNHWSA-N 0 3 286.332 -1.298 20 0 CAADHN COC[C@H](C)C(=O)NCCNCC(=O)N1CCOCC1 ZINC001124754436 776012177 /nfs/dbraw/zinc/01/21/77/776012177.db2.gz RKPXNBXJGRLGNZ-NSHDSACASA-N 0 3 287.360 -1.167 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@@H]2CCNC2=O)[nH]1 ZINC001124826170 776013164 /nfs/dbraw/zinc/01/31/64/776013164.db2.gz ZQZUBSKYMPVGNR-MRVPVSSYSA-N 0 3 251.290 -1.074 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC(=O)N1)C(=O)NC1CC1 ZINC001124805310 776013210 /nfs/dbraw/zinc/01/32/10/776013210.db2.gz XPPCACLUWOPDFZ-WCBMZHEXSA-N 0 3 282.344 -1.362 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1CCC(=O)N1 ZINC001124814874 776013463 /nfs/dbraw/zinc/01/34/63/776013463.db2.gz QXGABXWSNDUTHU-HTQZYQBOSA-N 0 3 282.300 -2.224 20 0 CAADHN C[C@H]1CCCN1CC(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083779507 776013781 /nfs/dbraw/zinc/01/37/81/776013781.db2.gz GAVBPTKEMMQPLL-TUAOUCFPSA-N 0 3 271.361 -1.376 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001124819234 776014052 /nfs/dbraw/zinc/01/40/52/776014052.db2.gz QHKRIDFILDNSCE-MNOVXSKESA-N 0 3 296.371 -1.020 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124810142 776014254 /nfs/dbraw/zinc/01/42/54/776014254.db2.gz HUQFPSRMYBNGJB-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC(=O)N1)C(=O)NC1CC1 ZINC001124805308 776014403 /nfs/dbraw/zinc/01/44/03/776014403.db2.gz XPPCACLUWOPDFZ-PSASIEDQSA-N 0 3 282.344 -1.362 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC(=O)N1)C(=O)N(C)C ZINC001124815092 776014709 /nfs/dbraw/zinc/01/47/09/776014709.db2.gz XGTGLMPJXHASLY-DTWKUNHWSA-N 0 3 270.333 -1.553 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001124862273 776015597 /nfs/dbraw/zinc/01/55/97/776015597.db2.gz ZZRDTAKAQLZEAG-QMMMGPOBSA-N 0 3 258.322 -1.647 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001124883106 776015811 /nfs/dbraw/zinc/01/58/11/776015811.db2.gz MXMRYJMOYYNLQY-SECBINFHSA-N 0 3 284.360 -1.115 20 0 CAADHN CCC(=O)NCC(=O)NCCNCC(=O)N1CCCC1 ZINC001124873049 776015986 /nfs/dbraw/zinc/01/59/86/776015986.db2.gz RWBKKIFJRCYCBB-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001124861282 776016581 /nfs/dbraw/zinc/01/65/81/776016581.db2.gz JNWMFCWTZZIWSJ-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN COCCOCC(=O)NCCNCC(=O)NC(C)C ZINC001124921232 776018643 /nfs/dbraw/zinc/01/86/43/776018643.db2.gz PSNOQPKOFROCJQ-UHFFFAOYSA-N 0 3 275.349 -1.120 20 0 CAADHN COCCOCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124925211 776019055 /nfs/dbraw/zinc/01/90/55/776019055.db2.gz BOFORQAYRDKOEJ-VIFPVBQESA-N 0 3 287.316 -1.840 20 0 CAADHN Cc1nn(C)cc1C(=O)NCCNCC(=O)NC(N)=O ZINC001124967168 776019127 /nfs/dbraw/zinc/01/91/27/776019127.db2.gz HSJSWPRXWBXODK-UHFFFAOYSA-N 0 3 282.304 -1.757 20 0 CAADHN COCCOCC(=O)NCCN[C@@H]1CCNC1=O ZINC001124920384 776019515 /nfs/dbraw/zinc/01/95/15/776019515.db2.gz FEMOKTJXKKMCFX-SECBINFHSA-N 0 3 259.306 -1.756 20 0 CAADHN CC(C)(C)C(=O)C(=O)NCCNCCNS(C)(=O)=O ZINC001124972393 776020116 /nfs/dbraw/zinc/02/01/16/776020116.db2.gz TZLAIIKAMNXWML-UHFFFAOYSA-N 0 3 293.389 -1.143 20 0 CAADHN Cc1nn(C)cc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001124968241 776020167 /nfs/dbraw/zinc/02/01/67/776020167.db2.gz XQHTWUFTAXVXBM-SNVBAGLBSA-N 0 3 265.317 -1.064 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1n[nH]c(C)c1C ZINC001125039831 776020673 /nfs/dbraw/zinc/02/06/73/776020673.db2.gz VYVCCKODPWDDIT-UHFFFAOYSA-N 0 3 296.331 -1.198 20 0 CAADHN CCn1cc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)cn1 ZINC001125020095 776021240 /nfs/dbraw/zinc/02/12/40/776021240.db2.gz RTSARPBMYXLDNL-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN CCn1cc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)cn1 ZINC001125020097 776021354 /nfs/dbraw/zinc/02/13/54/776021354.db2.gz RTSARPBMYXLDNL-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)N1CCCCC1 ZINC001125080283 776021417 /nfs/dbraw/zinc/02/14/17/776021417.db2.gz OMPVRAXZOGPHID-UHFFFAOYSA-N 0 3 270.333 -1.420 20 0 CAADHN C[C@H](CCNCc1cnnn1C)NC(=O)[C@H](C)NC(N)=O ZINC001272739409 776021527 /nfs/dbraw/zinc/02/15/27/776021527.db2.gz ZBKCVOUXUKJUTC-BDAKNGLRSA-N 0 3 297.363 -1.144 20 0 CAADHN CC(C)[C@H](C)NC(=O)CNCCNC(=O)CC(N)=O ZINC001125080648 776021596 /nfs/dbraw/zinc/02/15/96/776021596.db2.gz SIWNHIHQXCETKE-VIFPVBQESA-N 0 3 272.349 -1.272 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O)no1 ZINC001125005789 776021713 /nfs/dbraw/zinc/02/17/13/776021713.db2.gz MKTPPAHGJVBGRG-QMMMGPOBSA-N 0 3 297.315 -1.185 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CC1CCOCC1 ZINC001125050030 776021759 /nfs/dbraw/zinc/02/17/59/776021759.db2.gz KAXPHTVZBLVHGQ-UHFFFAOYSA-N 0 3 286.332 -1.296 20 0 CAADHN C[C@@H]1CCCCN1C(=O)CNCCNC(=O)CC(N)=O ZINC001125080350 776021827 /nfs/dbraw/zinc/02/18/27/776021827.db2.gz QXVXQIWQXSRMMG-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN C[C@@H](CCNCc1cnnn1C)NC(=O)[C@H](C)NC(N)=O ZINC001272739410 776021881 /nfs/dbraw/zinc/02/18/81/776021881.db2.gz ZBKCVOUXUKJUTC-IUCAKERBSA-N 0 3 297.363 -1.144 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)CC(N)=O ZINC001125080795 776022353 /nfs/dbraw/zinc/02/23/53/776022353.db2.gz YHWNFHOKJBADKZ-UHFFFAOYSA-N 0 3 274.321 -2.280 20 0 CAADHN NC(=O)CC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001125084673 776023206 /nfs/dbraw/zinc/02/32/06/776023206.db2.gz CWPHJQOPEFOBME-JTQLQIEISA-N 0 3 282.344 -1.279 20 0 CAADHN CCCNC(=O)NC(=O)CNCCNC(=O)CC(N)=O ZINC001125079697 776023235 /nfs/dbraw/zinc/02/32/35/776023235.db2.gz GIDNADIWGFSKJH-UHFFFAOYSA-N 0 3 287.320 -2.197 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)CC(N)=O ZINC001125079748 776023281 /nfs/dbraw/zinc/02/32/81/776023281.db2.gz IRQLODOTZUKTEV-MRVPVSSYSA-N 0 3 258.322 -1.518 20 0 CAADHN C[C@@H]1CCCN(C(=O)CNCCNC(=O)CC(N)=O)C1 ZINC001125079655 776024126 /nfs/dbraw/zinc/02/41/26/776024126.db2.gz DUXVAYLCGGONMA-SNVBAGLBSA-N 0 3 284.360 -1.174 20 0 CAADHN NC(=O)CC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001125080018 776024264 /nfs/dbraw/zinc/02/42/64/776024264.db2.gz LMZSWBNDAVZHHS-UHFFFAOYSA-N 0 3 278.312 -1.133 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)CC(N)=O)C1=O ZINC001125090660 776024857 /nfs/dbraw/zinc/02/48/57/776024857.db2.gz OSWRQNHNYOWNFX-SECBINFHSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)CC(N)=O ZINC001125095711 776024880 /nfs/dbraw/zinc/02/48/80/776024880.db2.gz YGYDFTOZHYJYDB-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1ccon1 ZINC001125098955 776025078 /nfs/dbraw/zinc/02/50/78/776025078.db2.gz OVAAZJRTKOOQMD-UHFFFAOYSA-N 0 3 269.261 -1.882 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1ccon1 ZINC001125103607 776025261 /nfs/dbraw/zinc/02/52/61/776025261.db2.gz GOKAXMDETROSSU-UHFFFAOYSA-N 0 3 283.288 -1.622 20 0 CAADHN C[C@H](NCCNC(=O)CC(N)=O)C(=O)NCc1ccco1 ZINC001125090473 776025287 /nfs/dbraw/zinc/02/52/87/776025287.db2.gz LAOVFYAWIFXAEZ-VIFPVBQESA-N 0 3 296.327 -1.135 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NCCNC(=O)CC(N)=O ZINC001125095392 776025491 /nfs/dbraw/zinc/02/54/91/776025491.db2.gz SFJKPFJQSLAUFP-VIFPVBQESA-N 0 3 272.349 -1.272 20 0 CAADHN C[C@H](NCCNC(=O)CC(N)=O)C(=O)NC(N)=O ZINC001125090944 776025543 /nfs/dbraw/zinc/02/55/43/776025543.db2.gz WWNCEGUSESTEIT-YFKPBYRVSA-N 0 3 259.266 -2.849 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC(N)=O ZINC001125090617 776025559 /nfs/dbraw/zinc/02/55/59/776025559.db2.gz MMVJXWPCIKOQBP-ZCFIWIBFSA-N 0 3 273.293 -2.588 20 0 CAADHN C[C@@H](NCCNC(=O)CC(N)=O)C(=O)NCc1ccco1 ZINC001125090472 776025719 /nfs/dbraw/zinc/02/57/19/776025719.db2.gz LAOVFYAWIFXAEZ-SECBINFHSA-N 0 3 296.327 -1.135 20 0 CAADHN CCCC[C@@H](NCCNC(=O)CC(N)=O)C(N)=O ZINC001125090793 776025910 /nfs/dbraw/zinc/02/59/10/776025910.db2.gz SNQHUBVEPPVKPJ-MRVPVSSYSA-N 0 3 258.322 -1.388 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001125090700 776025928 /nfs/dbraw/zinc/02/59/28/776025928.db2.gz QJHATRYKZWFTNQ-SECBINFHSA-N 0 3 286.332 -2.280 20 0 CAADHN CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)CC(N)=O ZINC001125095710 776026081 /nfs/dbraw/zinc/02/60/81/776026081.db2.gz YGYDFTOZHYJYDB-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CCC[C@H](C)NC(=O)CNCCNC(=O)CC(N)=O ZINC001125090937 776026099 /nfs/dbraw/zinc/02/60/99/776026099.db2.gz WSZCLWWBUNPLON-VIFPVBQESA-N 0 3 272.349 -1.128 20 0 CAADHN CCC[C@@H](C)NC(=O)CNCCNC(=O)CC(N)=O ZINC001125090936 776026242 /nfs/dbraw/zinc/02/62/42/776026242.db2.gz WSZCLWWBUNPLON-SECBINFHSA-N 0 3 272.349 -1.128 20 0 CAADHN CCN(C(=O)CNCCNC(=O)CC(N)=O)C1CC1 ZINC001125090657 776026267 /nfs/dbraw/zinc/02/62/67/776026267.db2.gz ORAPVRNYXQTSMH-UHFFFAOYSA-N 0 3 270.333 -1.422 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1nnn(C)c1C ZINC001125170324 776026860 /nfs/dbraw/zinc/02/68/60/776026860.db2.gz XRWJKAXWWCQGNH-UHFFFAOYSA-N 0 3 282.348 -1.079 20 0 CAADHN Cc1nc(C)c(C(=O)NCCNCC(=O)NC(N)=O)o1 ZINC001125207941 776026930 /nfs/dbraw/zinc/02/69/30/776026930.db2.gz CZHORAMZGKTPKL-UHFFFAOYSA-N 0 3 283.288 -1.194 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001125207888 776027125 /nfs/dbraw/zinc/02/71/25/776027125.db2.gz BFDIOOZSXBIDAC-LBPRGKRZSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125214141 776027209 /nfs/dbraw/zinc/02/72/09/776027209.db2.gz PVNZDRCVAHMJNT-VIFPVBQESA-N 0 3 258.322 -2.231 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001125207887 776027252 /nfs/dbraw/zinc/02/72/52/776027252.db2.gz BFDIOOZSXBIDAC-GFCCVEGCSA-N 0 3 298.387 -1.356 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCOC1 ZINC001125118029 776027696 /nfs/dbraw/zinc/02/76/96/776027696.db2.gz AOSOGRJZWKTAGZ-QMMMGPOBSA-N 0 3 272.305 -1.686 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)Cc1ccon1 ZINC001125103797 776027878 /nfs/dbraw/zinc/02/78/78/776027878.db2.gz OZQGHQKCRSJVTG-UHFFFAOYSA-N 0 3 297.315 -1.231 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCOC1 ZINC001125119056 776027954 /nfs/dbraw/zinc/02/79/54/776027954.db2.gz WOYKUCZDRAZIKO-SECBINFHSA-N 0 3 286.332 -1.426 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCOC1 ZINC001125119057 776028094 /nfs/dbraw/zinc/02/80/94/776028094.db2.gz WOYKUCZDRAZIKO-VIFPVBQESA-N 0 3 286.332 -1.426 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CN(C)CCO1)C(N)=O ZINC001125221668 776029162 /nfs/dbraw/zinc/02/91/62/776029162.db2.gz RWVOGHNVMWVOLN-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN CN1CCO[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001125221167 776029436 /nfs/dbraw/zinc/02/94/36/776029436.db2.gz NSRQEPFLHRBUBW-QMMMGPOBSA-N 0 3 287.320 -2.782 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2CN(C)CCO2)C1=O ZINC001125220175 776029617 /nfs/dbraw/zinc/02/96/17/776029617.db2.gz DMMMNZQFMPQKFR-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001125221247 776030264 /nfs/dbraw/zinc/03/02/64/776030264.db2.gz OPQHTTANRCIRIY-VHSXEESVSA-N 0 3 270.333 -2.089 20 0 CAADHN Cc1nc(CNCCNC(=O)[C@@H]2CN(C)CCO2)n[nH]1 ZINC001125221131 776030413 /nfs/dbraw/zinc/03/04/13/776030413.db2.gz NIDUSBBXTCTMJO-JTQLQIEISA-N 0 3 282.348 -1.350 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CN(C)CCO1 ZINC001125221446 776030534 /nfs/dbraw/zinc/03/05/34/776030534.db2.gz QICGNWXOJYHKME-NXEZZACHSA-N 0 3 272.349 -1.843 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CN(C)CCO1 ZINC001125221452 776031089 /nfs/dbraw/zinc/03/10/89/776031089.db2.gz QICGNWXOJYHKME-VHSXEESVSA-N 0 3 272.349 -1.843 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2CN(C)CCO2)C1=O ZINC001125220174 776030922 /nfs/dbraw/zinc/03/09/22/776030922.db2.gz DMMMNZQFMPQKFR-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001125222413 776030986 /nfs/dbraw/zinc/03/09/86/776030986.db2.gz VUASVTAQVYKALX-WDEREUQCSA-N 0 3 284.360 -1.699 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CN(C)CCO2)C1=O ZINC001125227503 776031292 /nfs/dbraw/zinc/03/12/92/776031292.db2.gz SRXOCPQIVDQIOV-MNOVXSKESA-N 0 3 284.360 -1.747 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CN(C)CCO2)C1=O ZINC001125227504 776031451 /nfs/dbraw/zinc/03/14/51/776031451.db2.gz SRXOCPQIVDQIOV-QWRGUYRKSA-N 0 3 284.360 -1.747 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N(C)CCN(C)CCO ZINC000691279909 776034459 /nfs/dbraw/zinc/03/44/59/776034459.db2.gz OBJNTACTHPWNGM-UHFFFAOYSA-N 0 3 296.393 -2.235 20 0 CAADHN NCCS(=O)(=O)NCCOCCOCCO ZINC001238457505 776034307 /nfs/dbraw/zinc/03/43/07/776034307.db2.gz XDGMIDKJSXKZNN-UHFFFAOYSA-N 0 3 256.324 -2.110 20 0 CAADHN O=C(CNCCNC(=O)[C@]12C[C@H]1COC2)N1CCC1 ZINC001127737940 776037667 /nfs/dbraw/zinc/03/76/67/776037667.db2.gz WMAGWZISXLFDTF-GWCFXTLKSA-N 0 3 267.329 -1.039 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127744073 776038274 /nfs/dbraw/zinc/03/82/74/776038274.db2.gz VRPMAQFRLMEHLN-FZMZJTMJSA-N 0 3 299.371 -1.119 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@]12C[C@H]1COC2 ZINC001127743335 776038290 /nfs/dbraw/zinc/03/82/90/776038290.db2.gz MGIAHSCROLGYIP-SBMIAAHKSA-N 0 3 253.302 -1.383 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@]12C[C@H]1COC2 ZINC001127742885 776038388 /nfs/dbraw/zinc/03/83/88/776038388.db2.gz FZQHJUGXYGXFGE-RWEMILLDSA-N 0 3 281.312 -1.466 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@]12C[C@H]1COC2)C(N)=O ZINC001127747643 776038407 /nfs/dbraw/zinc/03/84/07/776038407.db2.gz DCLQKEXXJYATTJ-SBMIAAHKSA-N 0 3 255.318 -1.007 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@]12C[C@H]1COC2 ZINC001127743334 776038625 /nfs/dbraw/zinc/03/86/25/776038625.db2.gz MGIAHSCROLGYIP-AUTRQRHGSA-N 0 3 253.302 -1.383 20 0 CAADHN O=C(CNCCNC(=O)[C@]12C[C@H]1COC2)N1CCOCC1 ZINC001127743315 776038864 /nfs/dbraw/zinc/03/88/64/776038864.db2.gz LHYXNUFLHGBQKH-FZMZJTMJSA-N 0 3 297.355 -1.413 20 0 CAADHN CC[C@H](NCCNC(=O)[C@]12C[C@H]1COC2)C(N)=O ZINC001127747642 776039339 /nfs/dbraw/zinc/03/93/39/776039339.db2.gz DCLQKEXXJYATTJ-AUTRQRHGSA-N 0 3 255.318 -1.007 20 0 CAADHN CC(C)(C)n1nnc(C(=O)NCCNCC(N)=O)n1 ZINC001127764698 776040155 /nfs/dbraw/zinc/04/01/55/776040155.db2.gz ASFCHVLVICYMOB-UHFFFAOYSA-N 0 3 269.309 -1.767 20 0 CAADHN C[C@H](NCCNC(=O)c1nnn(C(C)(C)C)n1)C(N)=O ZINC001127766361 776040265 /nfs/dbraw/zinc/04/02/65/776040265.db2.gz VKUIIAJERBJRRU-ZETCQYMHSA-N 0 3 283.336 -1.379 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077598900 776040808 /nfs/dbraw/zinc/04/08/08/776040808.db2.gz HMCFAHCCLNOXLB-IVZWLZJFSA-N 0 3 268.317 -1.761 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001077586435 776040907 /nfs/dbraw/zinc/04/09/07/776040907.db2.gz WWLLBWGRVGBDCC-NXEZZACHSA-N 0 3 266.301 -1.047 20 0 CAADHN O=C(N[C@@H]1CN(CCC2CC2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077598744 776041608 /nfs/dbraw/zinc/04/16/08/776041608.db2.gz BLPCAEPHDNRPGL-HBNTYKKESA-N 0 3 282.344 -1.371 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)c1c[nH]c(=O)cn1 ZINC001077587597 776041712 /nfs/dbraw/zinc/04/17/12/776041712.db2.gz QTJWQYQAXULJCH-GHMZBOCLSA-N 0 3 278.312 -1.045 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077600444 776042571 /nfs/dbraw/zinc/04/25/71/776042571.db2.gz LSQUKALPVQWXSZ-IWSPIJDZSA-N 0 3 256.306 -1.761 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077600749 776043658 /nfs/dbraw/zinc/04/36/58/776043658.db2.gz WMGKMRWXHKVIPR-OPRDCNLKSA-N 0 3 270.333 -1.371 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077600443 776043853 /nfs/dbraw/zinc/04/38/53/776043853.db2.gz LSQUKALPVQWXSZ-DJLDLDEBSA-N 0 3 256.306 -1.761 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(C[C@H]2CCCOC2)C[C@H]1O ZINC001077605135 776046539 /nfs/dbraw/zinc/04/65/39/776046539.db2.gz YSZFRERDIGIDID-OPRDCNLKSA-N 0 3 271.317 -1.940 20 0 CAADHN CCCN(C)CC(=O)NCC[C@H](C)NC(=O)C(N)=O ZINC001077665339 776056994 /nfs/dbraw/zinc/05/69/94/776056994.db2.gz OQQAFAMFOYNASQ-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN COC(=O)[C@@]1(N)CCN(S(=O)(=O)CCN)C1 ZINC001239129381 776058454 /nfs/dbraw/zinc/05/84/54/776058454.db2.gz NMEHWIVWLAAMKB-MRVPVSSYSA-N 0 3 251.308 -2.149 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001077668869 776058333 /nfs/dbraw/zinc/05/83/33/776058333.db2.gz XAJSZKHMYWIMNZ-WISYIIOYSA-N 0 3 299.371 -1.019 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001077681889 776058354 /nfs/dbraw/zinc/05/83/54/776058354.db2.gz UMQYGNYVBZPVEH-UTINFBMNSA-N 0 3 255.318 -1.323 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(CCO)C[C@H]2O)C1 ZINC001077679541 776058596 /nfs/dbraw/zinc/05/85/96/776058596.db2.gz UXVBBLAPFOVKKP-IJLUTSLNSA-N 0 3 271.361 -1.518 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001077675219 776058885 /nfs/dbraw/zinc/05/88/85/776058885.db2.gz GAVBPTKEMMQPLL-IJLUTSLNSA-N 0 3 271.361 -1.376 20 0 CAADHN CC1(C)CCN(CC(=O)N[C@@H]2CN(CCO)C[C@H]2O)C1 ZINC001077685692 776058990 /nfs/dbraw/zinc/05/89/90/776058990.db2.gz YRLKAVSMBCFUPT-VXGBXAGGSA-N 0 3 285.388 -1.128 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@H]1N ZINC001239134789 776059188 /nfs/dbraw/zinc/05/91/88/776059188.db2.gz KFUYHBAOZGPVMD-OPRDCNLKSA-N 0 3 292.357 -1.073 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NCCNCC(N)=O ZINC001127861963 776061911 /nfs/dbraw/zinc/06/19/11/776061911.db2.gz ZQWGIVIEJQUYGG-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)c1ccncc1)C(N)=O ZINC001127897028 776066630 /nfs/dbraw/zinc/06/66/30/776066630.db2.gz MJWUWYFZTOIXML-SECBINFHSA-N 0 3 293.327 -1.609 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001077745683 776066939 /nfs/dbraw/zinc/06/69/39/776066939.db2.gz WZPQVUQQEOZESU-GMTAPVOTSA-N 0 3 295.343 -1.623 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077754443 776067241 /nfs/dbraw/zinc/06/72/41/776067241.db2.gz AJDQPBKDRVGUSW-IVZWLZJFSA-N 0 3 298.343 -1.598 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cc[nH]c1 ZINC001127908732 776067538 /nfs/dbraw/zinc/06/75/38/776067538.db2.gz WOOQSHBOWSOLQL-UHFFFAOYSA-N 0 3 267.289 -1.210 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1cc[nH]c1 ZINC001127915608 776070150 /nfs/dbraw/zinc/07/01/50/776070150.db2.gz JIWRBXFJEVFTJH-UHFFFAOYSA-N 0 3 274.346 -1.117 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)C1CCCC1 ZINC001127940793 776071376 /nfs/dbraw/zinc/07/13/76/776071376.db2.gz IHZZJMNIJBESGG-UHFFFAOYSA-N 0 3 270.333 -1.516 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)C1CCCC1)C(N)=O ZINC001127940631 776071646 /nfs/dbraw/zinc/07/16/46/776071646.db2.gz GADHSJMLILYJDK-VIFPVBQESA-N 0 3 284.360 -1.128 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)C1CCCC1 ZINC001127941071 776071699 /nfs/dbraw/zinc/07/16/99/776071699.db2.gz NWZQAIQNJLDFIZ-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001127945845 776072248 /nfs/dbraw/zinc/07/22/48/776072248.db2.gz CLXHPCDYYIAXIQ-RKDXNWHRSA-N 0 3 298.343 -1.588 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001127945844 776072570 /nfs/dbraw/zinc/07/25/70/776072570.db2.gz CLXHPCDYYIAXIQ-IUCAKERBSA-N 0 3 298.343 -1.588 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001127951974 776073379 /nfs/dbraw/zinc/07/33/79/776073379.db2.gz OJRMXHFAVIGECU-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC ZINC001127947700 776073558 /nfs/dbraw/zinc/07/35/58/776073558.db2.gz ZEZWDBDCHJMXOO-IUCAKERBSA-N 0 3 272.349 -1.259 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@H](CC)C(N)=O ZINC001127952722 776073590 /nfs/dbraw/zinc/07/35/90/776073590.db2.gz YPXIMCVJEHAYCM-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001127951972 776073644 /nfs/dbraw/zinc/07/36/44/776073644.db2.gz OJRMXHFAVIGECU-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)NCCNCc1cncn1C ZINC001127967971 776073700 /nfs/dbraw/zinc/07/37/00/776073700.db2.gz SJUDJNIAHVBOHE-SNVBAGLBSA-N 0 3 297.359 -1.223 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC ZINC001127947701 776073786 /nfs/dbraw/zinc/07/37/86/776073786.db2.gz ZEZWDBDCHJMXOO-RKDXNWHRSA-N 0 3 272.349 -1.259 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CNC(=O)c1ccoc1 ZINC001127952657 776073810 /nfs/dbraw/zinc/07/38/10/776073810.db2.gz XTMCFRPDJOMVGU-UHFFFAOYSA-N 0 3 296.327 -1.197 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001127946626 776073889 /nfs/dbraw/zinc/07/38/89/776073889.db2.gz MMTVTJFYNJAPMY-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@H]1CCCNC1=O ZINC001127947443 776073896 /nfs/dbraw/zinc/07/38/96/776073896.db2.gz VYWHQBGBGQROEH-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN O=C(CNC(=O)c1ccoc1)NCCN[C@@H]1CCNC1=O ZINC001127951804 776073907 /nfs/dbraw/zinc/07/39/07/776073907.db2.gz LKGKKKLRENXGTP-SNVBAGLBSA-N 0 3 294.311 -1.396 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCNCC(=O)NC ZINC001127945926 776073956 /nfs/dbraw/zinc/07/39/56/776073956.db2.gz CWRBXNPVQMRSSK-QMMMGPOBSA-N 0 3 258.322 -1.647 20 0 CAADHN C[C@@H](NC(=O)CC(F)(F)F)C(=O)NCCNCC(N)=O ZINC001127966615 776074040 /nfs/dbraw/zinc/07/40/40/776074040.db2.gz CJEQFGOQGYZCBD-ZCFIWIBFSA-N 0 3 298.265 -1.365 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)c1ccoc1 ZINC001127951750 776074097 /nfs/dbraw/zinc/07/40/97/776074097.db2.gz JPAFAZNHYBRLTN-UHFFFAOYSA-N 0 3 268.273 -1.800 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)NCCNCC(N)=O ZINC001127972830 776075105 /nfs/dbraw/zinc/07/51/05/776075105.db2.gz DSMZLJFTZSFBIB-SSDOTTSWSA-N 0 3 260.294 -2.671 20 0 CAADHN COCCNC(=S)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239450291 776075408 /nfs/dbraw/zinc/07/54/08/776075408.db2.gz AQMDHPIPPKCOCN-SFYZADRCSA-N 0 3 261.347 -1.061 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)NCCNCC(N)=O ZINC001127972835 776075571 /nfs/dbraw/zinc/07/55/71/776075571.db2.gz DSMZLJFTZSFBIB-ZETCQYMHSA-N 0 3 260.294 -2.671 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)COC ZINC001127966879 776075611 /nfs/dbraw/zinc/07/56/11/776075611.db2.gz GTUOYTRCOXUQBX-MRVPVSSYSA-N 0 3 274.321 -2.411 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCNCC(=O)NC1CC1 ZINC001127984214 776077398 /nfs/dbraw/zinc/07/73/98/776077398.db2.gz BEKQMRQURVJRQL-VIFPVBQESA-N 0 3 284.360 -1.115 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCNCC(=O)N1CCC1 ZINC001127979271 776077591 /nfs/dbraw/zinc/07/75/91/776077591.db2.gz QDWQMZNNWLOVEZ-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)NC(=O)c1ccoc1)C(N)=O ZINC001127986046 776078774 /nfs/dbraw/zinc/07/87/74/776078774.db2.gz UMAYECAPAXKEJM-RKDXNWHRSA-N 0 3 296.327 -1.023 20 0 CAADHN C[C@@H](NC(=O)c1ccoc1)C(=O)NCCN[C@@H](C)C(N)=O ZINC001127986044 776079171 /nfs/dbraw/zinc/07/91/71/776079171.db2.gz UMAYECAPAXKEJM-DTWKUNHWSA-N 0 3 296.327 -1.023 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)NCCN[C@H]1CCNC1=O ZINC001127992387 776080494 /nfs/dbraw/zinc/08/04/94/776080494.db2.gz CXLKLAFMCMGMEW-IUCAKERBSA-N 0 3 286.332 -2.268 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H](C)NC(=O)COC)C(N)=O ZINC001127999631 776080537 /nfs/dbraw/zinc/08/05/37/776080537.db2.gz SMZHAIBPGSYZCA-DTWKUNHWSA-N 0 3 288.348 -1.893 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)NCCN[C@H]1CCNC1=O ZINC001127992385 776081001 /nfs/dbraw/zinc/08/10/01/776081001.db2.gz CXLKLAFMCMGMEW-BDAKNGLRSA-N 0 3 286.332 -2.268 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001127994535 776081011 /nfs/dbraw/zinc/08/10/11/776081011.db2.gz UWTQRIDLVKUIHH-JGVFFNPUSA-N 0 3 274.321 -2.283 20 0 CAADHN C[C@H](NC(=O)c1ccoc1)C(=O)NCCNCC(N)=O ZINC001128004300 776082527 /nfs/dbraw/zinc/08/25/27/776082527.db2.gz JOONGDHRBOIECM-QMMMGPOBSA-N 0 3 282.300 -1.411 20 0 CAADHN CCC(=O)N1CCCC[C@H]1C(=O)NCCNCC(N)=O ZINC001128018331 776083172 /nfs/dbraw/zinc/08/31/72/776083172.db2.gz HSTPQJUUNJXCSH-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)n1 ZINC001077833657 776088981 /nfs/dbraw/zinc/08/89/81/776088981.db2.gz UZCIBIPQYZKITE-MVWJERBFSA-N 0 3 295.343 -1.374 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077830879 776089751 /nfs/dbraw/zinc/08/97/51/776089751.db2.gz BIXYZJKGRFMHQA-NXEZZACHSA-N 0 3 283.328 -1.391 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)C1CC(=O)NC(=O)C1 ZINC001077833236 776089769 /nfs/dbraw/zinc/08/97/69/776089769.db2.gz BAMJKPBBGQKBSJ-GHMZBOCLSA-N 0 3 295.339 -1.390 20 0 CAADHN CO[C@@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001077861430 776093827 /nfs/dbraw/zinc/09/38/27/776093827.db2.gz GTTHGJXSVIHMRU-DJLDLDEBSA-N 0 3 269.305 -1.386 20 0 CAADHN O=C(N[C@@H]1CN(CCn2cccn2)C[C@H]1O)c1ncn[nH]1 ZINC001077861685 776094083 /nfs/dbraw/zinc/09/40/83/776094083.db2.gz RUECNDLQMOSJCF-NXEZZACHSA-N 0 3 291.315 -1.524 20 0 CAADHN O=C(N[C@@H]1CN(CCn2cccn2)C[C@H]1O)c1nc[nH]n1 ZINC001077861685 776094087 /nfs/dbraw/zinc/09/40/87/776094087.db2.gz RUECNDLQMOSJCF-NXEZZACHSA-N 0 3 291.315 -1.524 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077853140 776094899 /nfs/dbraw/zinc/09/48/99/776094899.db2.gz NCQKWRAVFXLZOE-NXEZZACHSA-N 0 3 298.343 -1.500 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)C1CS(=O)(=O)C1 ZINC001128099488 776101561 /nfs/dbraw/zinc/10/15/61/776101561.db2.gz ZKZOQNNWIUTRDA-SECBINFHSA-N 0 3 289.357 -1.985 20 0 CAADHN Cn1cc(Cl)c(C(=O)NCCNCC(N)=O)n1 ZINC001128094483 776101660 /nfs/dbraw/zinc/10/16/60/776101660.db2.gz YQTAKQRLUJWPHD-UHFFFAOYSA-N 0 3 259.697 -1.122 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001077953885 776105699 /nfs/dbraw/zinc/10/56/99/776105699.db2.gz QXHZEWAYOOKMAN-NXEZZACHSA-N 0 3 298.343 -1.502 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(CCCO)CC2(CCOCC2)C1 ZINC001089956658 776107092 /nfs/dbraw/zinc/10/70/92/776107092.db2.gz OEWQUGYQDZUAJF-NSHDSACASA-N 0 3 299.371 -1.159 20 0 CAADHN CO[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976785 776107870 /nfs/dbraw/zinc/10/78/70/776107870.db2.gz VMYZUMCBJMWVCE-OPRDCNLKSA-N 0 3 283.332 -1.457 20 0 CAADHN C[C@@H](O)CN1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001089956282 776108435 /nfs/dbraw/zinc/10/84/35/776108435.db2.gz KFNMPSJFIHCLAF-GHMZBOCLSA-N 0 3 299.371 -1.160 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001077995716 776111662 /nfs/dbraw/zinc/11/16/62/776111662.db2.gz NMTMSIHUBBONHO-NXEZZACHSA-N 0 3 298.343 -1.548 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@@H]1CCC(=O)N1 ZINC001078034633 776114871 /nfs/dbraw/zinc/11/48/71/776114871.db2.gz PQYSAPKBHWAEOP-HBNTYKKESA-N 0 3 267.329 -1.164 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001078080828 776116156 /nfs/dbraw/zinc/11/61/56/776116156.db2.gz HCLSMDZYQJALCY-NXEZZACHSA-N 0 3 281.316 -2.093 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](C)CCNC(=O)C(N)=O ZINC001078116253 776120668 /nfs/dbraw/zinc/12/06/68/776120668.db2.gz QSMGHWNTJYCZHA-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](C)CCNC(=O)C(N)=O ZINC001078117306 776123051 /nfs/dbraw/zinc/12/30/51/776123051.db2.gz QFTJKNRZCQVOKW-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](C)CCNC(=O)C(N)=O ZINC001078120536 776124761 /nfs/dbraw/zinc/12/47/61/776124761.db2.gz NEUYRCZHAORRRQ-VIFPVBQESA-N 0 3 272.349 -1.177 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001078140942 776125276 /nfs/dbraw/zinc/12/52/76/776125276.db2.gz FZFPFYIRCJFMOP-GHMZBOCLSA-N 0 3 265.317 -1.151 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)Cn2cncn2)C1 ZINC001078141327 776126111 /nfs/dbraw/zinc/12/61/11/776126111.db2.gz YQJMWIBFGJZUPY-NXEZZACHSA-N 0 3 253.306 -1.151 20 0 CAADHN C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001078178785 776127737 /nfs/dbraw/zinc/12/77/37/776127737.db2.gz DBFIHQZSXICCKI-IJLUTSLNSA-N 0 3 271.361 -1.376 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001078144137 776127995 /nfs/dbraw/zinc/12/79/95/776127995.db2.gz ABQXBDJPADRMSL-NXEZZACHSA-N 0 3 298.343 -1.548 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001078144447 776128448 /nfs/dbraw/zinc/12/84/48/776128448.db2.gz OXDDTCRAIABHTI-NXEZZACHSA-N 0 3 296.327 -1.891 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001078146642 776128459 /nfs/dbraw/zinc/12/84/59/776128459.db2.gz SBLWOPCVHZZWCH-RKDXNWHRSA-N 0 3 284.316 -1.891 20 0 CAADHN Cc1nccn1CC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@H]1O ZINC001078183364 776130403 /nfs/dbraw/zinc/13/04/03/776130403.db2.gz NMEUBSKQLSXBOH-YUSALJHKSA-N 0 3 282.344 -1.266 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078193185 776131194 /nfs/dbraw/zinc/13/11/94/776131194.db2.gz GMFWSNGSTKXFPS-OPRDCNLKSA-N 0 3 291.373 -1.752 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)n(C)c1=O ZINC001078240802 776135448 /nfs/dbraw/zinc/13/54/48/776135448.db2.gz IWEDICSRJVSNLQ-ZYHUDNBSSA-N 0 3 294.355 -1.091 20 0 CAADHN COCC(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001078302383 776138341 /nfs/dbraw/zinc/13/83/41/776138341.db2.gz HJSPQQGJEFYVJW-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001078294762 776138920 /nfs/dbraw/zinc/13/89/20/776138920.db2.gz GILSOHCLASYHIN-OPRDCNLKSA-N 0 3 283.328 -1.391 20 0 CAADHN NC(=O)CC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001078361877 776139285 /nfs/dbraw/zinc/13/92/85/776139285.db2.gz NAAFZFGVQYDLHP-ZJUUUORDSA-N 0 3 298.343 -2.043 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099635463 776139479 /nfs/dbraw/zinc/13/94/79/776139479.db2.gz DREIPNGZGNHTEU-MNOVXSKESA-N 0 3 273.333 -1.944 20 0 CAADHN NC(=O)CC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001078361876 776139721 /nfs/dbraw/zinc/13/97/21/776139721.db2.gz NAAFZFGVQYDLHP-VHSXEESVSA-N 0 3 298.343 -2.043 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001078295080 776139774 /nfs/dbraw/zinc/13/97/74/776139774.db2.gz UBBXMPCJLRUGEA-OPRDCNLKSA-N 0 3 283.328 -1.390 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001078294761 776139794 /nfs/dbraw/zinc/13/97/94/776139794.db2.gz GILSOHCLASYHIN-IVZWLZJFSA-N 0 3 283.328 -1.391 20 0 CAADHN NC(=O)C(=O)N1CCCO[C@@H](CN[C@@H]2CCCNC2=O)C1 ZINC001078457160 776141376 /nfs/dbraw/zinc/14/13/76/776141376.db2.gz PRAOOGOLRKUUKN-VHSXEESVSA-N 0 3 298.343 -2.043 20 0 CAADHN CN1CC[C@@H](NC[C@H]2CN(C(=O)C(N)=O)CCCO2)C1=O ZINC001078458731 776141515 /nfs/dbraw/zinc/14/15/15/776141515.db2.gz PLTJECGLOLGROX-VHSXEESVSA-N 0 3 298.343 -2.091 20 0 CAADHN Cn1nccc1CNC[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001078457504 776141618 /nfs/dbraw/zinc/14/16/18/776141618.db2.gz YKCBJRPRWUMIOX-LLVKDONJSA-N 0 3 295.343 -1.388 20 0 CAADHN C[C@@H](CCNC(=O)CN1CCC[C@H]1C)NC(=O)C(N)=O ZINC001078467802 776141671 /nfs/dbraw/zinc/14/16/71/776141671.db2.gz OSNMGHDTFCHEAP-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN NC(=O)C(=O)N1CCCO[C@@H](CN[C@H]2CCCNC2=O)C1 ZINC001078457159 776141681 /nfs/dbraw/zinc/14/16/81/776141681.db2.gz PRAOOGOLRKUUKN-UWVGGRQHSA-N 0 3 298.343 -2.043 20 0 CAADHN Cn1nncc1CN[C@@H]1C[C@@H](NC(=O)C(N)=O)C12CCC2 ZINC001078713874 776144598 /nfs/dbraw/zinc/14/45/98/776144598.db2.gz TXONZHBLEYQKFZ-NXEZZACHSA-N 0 3 292.343 -1.183 20 0 CAADHN NC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C12CCC2 ZINC001078778275 776146421 /nfs/dbraw/zinc/14/64/21/776146421.db2.gz ZUPQKCSNMRFOGF-BDAKNGLRSA-N 0 3 292.343 -1.151 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC000691357402 776147799 /nfs/dbraw/zinc/14/77/99/776147799.db2.gz WGVVPUFNUGHSPA-JTQLQIEISA-N 0 3 257.334 -1.153 20 0 CAADHN Cn1cc(C(=O)NCC2(NCC(N)=O)CCC2)nn1 ZINC001280477750 776148663 /nfs/dbraw/zinc/14/86/63/776148663.db2.gz NAGGKIGUYGEOLQ-UHFFFAOYSA-N 0 3 266.305 -1.458 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001054486623 776148739 /nfs/dbraw/zinc/14/87/39/776148739.db2.gz ASJOPVZRDBEFPP-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NCc1cnn(C)c1 ZINC001055020441 776149607 /nfs/dbraw/zinc/14/96/07/776149607.db2.gz OMBUWJBSBWGGTB-WPRPVWTQSA-N 0 3 265.317 -1.158 20 0 CAADHN C[C@H]1CN(C(=O)c2cncn2C)C[C@@H]1NCC(N)=O ZINC001054870123 776149629 /nfs/dbraw/zinc/14/96/29/776149629.db2.gz POPJLBKMPXOSGB-IUCAKERBSA-N 0 3 265.317 -1.045 20 0 CAADHN Cn1ccc(-c2cc(C(=O)NCCNCC(N)=O)no2)n1 ZINC001128179428 776149708 /nfs/dbraw/zinc/14/97/08/776149708.db2.gz LYKYTHYSGNLRBQ-UHFFFAOYSA-N 0 3 292.299 -1.120 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001149325030 776151222 /nfs/dbraw/zinc/15/12/22/776151222.db2.gz ICSSPJSXXANGGH-GXSJLCMTSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cccn2nnnc12 ZINC001128194862 776151419 /nfs/dbraw/zinc/15/14/19/776151419.db2.gz OROQGTAEJCHSJS-UHFFFAOYSA-N 0 3 277.288 -1.810 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001149325033 776151895 /nfs/dbraw/zinc/15/18/95/776151895.db2.gz ICSSPJSXXANGGH-ONGXEEELSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H](NCCNC(=O)c1cccn2nnnc12)C(N)=O ZINC001128203714 776152204 /nfs/dbraw/zinc/15/22/04/776152204.db2.gz ARMQQWYSTFOBKW-VIFPVBQESA-N 0 3 291.315 -1.292 20 0 CAADHN NC(=O)CNCCNC(=O)c1cccn2nnnc12 ZINC001128199071 776152374 /nfs/dbraw/zinc/15/23/74/776152374.db2.gz BLWJTZTUHBIFKN-UHFFFAOYSA-N 0 3 263.261 -2.071 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cccn2nnnc12 ZINC001128199472 776152981 /nfs/dbraw/zinc/15/29/81/776152981.db2.gz JHCPVMOFYBACFZ-UHFFFAOYSA-N 0 3 291.315 -1.468 20 0 CAADHN Cn1cncc1CNCCNC(=O)Cn1nccn1 ZINC001128270036 776155000 /nfs/dbraw/zinc/15/50/00/776155000.db2.gz XXSOGUURWHFNSV-UHFFFAOYSA-N 0 3 263.305 -1.082 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)Cn1nccn1 ZINC001128268687 776155915 /nfs/dbraw/zinc/15/59/15/776155915.db2.gz BHBYKKHGEOYZMQ-UHFFFAOYSA-N 0 3 294.359 -1.148 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128269637 776156110 /nfs/dbraw/zinc/15/61/10/776156110.db2.gz NQSLURSPXWKQCC-UHFFFAOYSA-N 0 3 298.347 -1.863 20 0 CAADHN O=C(Cn1nccn1)NCCNCC(=O)N1CCCC1 ZINC001128269705 776156168 /nfs/dbraw/zinc/15/61/68/776156168.db2.gz QVCLEQYQMGUVEY-UHFFFAOYSA-N 0 3 280.332 -1.394 20 0 CAADHN CN(C(=O)CNCCNC(=O)Cn1nccn1)C1CC1 ZINC001128269878 776156217 /nfs/dbraw/zinc/15/62/17/776156217.db2.gz VDFQFINMZXTNJX-UHFFFAOYSA-N 0 3 280.332 -1.395 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)Cn1nccn1 ZINC001128270059 776156235 /nfs/dbraw/zinc/15/62/35/776156235.db2.gz YWYFWBJYMQILKX-UHFFFAOYSA-N 0 3 268.321 -1.538 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128268802 776156746 /nfs/dbraw/zinc/15/67/46/776156746.db2.gz FBXFLQHKMWXVEL-UHFFFAOYSA-N 0 3 268.321 -1.492 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cn1nccn1 ZINC001128277824 776156978 /nfs/dbraw/zinc/15/69/78/776156978.db2.gz BXQMKXNUFFSKAR-MRVPVSSYSA-N 0 3 297.319 -2.172 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cn1nccn1 ZINC001128273379 776157494 /nfs/dbraw/zinc/15/74/94/776157494.db2.gz KVMAPMOHWXDFTK-UHFFFAOYSA-N 0 3 290.349 -2.467 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128268791 776157525 /nfs/dbraw/zinc/15/75/25/776157525.db2.gz DXNBYBSYSZSNAN-UHFFFAOYSA-N 0 3 282.348 -1.100 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)Cn1nccn1 ZINC001128277726 776157579 /nfs/dbraw/zinc/15/75/79/776157579.db2.gz AYXIGYHRLOBKBD-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)Cn1nccn1 ZINC001128277724 776157623 /nfs/dbraw/zinc/15/76/23/776157623.db2.gz AYXIGYHRLOBKBD-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cn1nccn1 ZINC001128277826 776157670 /nfs/dbraw/zinc/15/76/70/776157670.db2.gz BXQMKXNUFFSKAR-QMMMGPOBSA-N 0 3 297.319 -2.172 20 0 CAADHN CN1CC[C@H](NCCNC(=O)Cn2nccn2)C1=O ZINC001128273368 776157679 /nfs/dbraw/zinc/15/76/79/776157679.db2.gz KJVJYXQQDAPOBI-VIFPVBQESA-N 0 3 266.305 -1.785 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)Cn1nccn1)C1CC1 ZINC001128277897 776157685 /nfs/dbraw/zinc/15/76/85/776157685.db2.gz DGEGNSCCXZEZBY-JTQLQIEISA-N 0 3 294.359 -1.101 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)Cn2nccn2)C1=O ZINC001128279997 776158034 /nfs/dbraw/zinc/15/80/34/776158034.db2.gz SVFILJLMZZSLQB-LLVKDONJSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1nccn1)C(=O)NC1CC1 ZINC001128278469 776158064 /nfs/dbraw/zinc/15/80/64/776158064.db2.gz HAZQYROEILZFJU-SECBINFHSA-N 0 3 280.332 -1.349 20 0 CAADHN COC[C@H](O)CN1C[C@@H](NC(=O)c2cn[nH]n2)[C@H](OC)C1 ZINC001212503025 776167019 /nfs/dbraw/zinc/16/70/19/776167019.db2.gz VFZNRCWZPGPDGC-FBIMIBRVSA-N 0 3 299.331 -1.759 20 0 CAADHN Cn1ccc(CCC(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001128464699 776170615 /nfs/dbraw/zinc/17/06/15/776170615.db2.gz RWZMRLGNZDDMEF-UHFFFAOYSA-N 0 3 296.331 -1.747 20 0 CAADHN Cn1ccc(CCC(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001128464818 776170772 /nfs/dbraw/zinc/17/07/72/776170772.db2.gz VYHLUQMQOHJGHS-NSHDSACASA-N 0 3 279.344 -1.053 20 0 CAADHN Cn1nccc1CCC(=O)NCCN[C@H]1CCNC1=O ZINC001128469127 776172212 /nfs/dbraw/zinc/17/22/12/776172212.db2.gz OUKHEEHAHFVTBS-NSHDSACASA-N 0 3 279.344 -1.053 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001083820240 776174815 /nfs/dbraw/zinc/17/48/15/776174815.db2.gz AJDQPBKDRVGUSW-AEJSXWLSSA-N 0 3 298.343 -1.598 20 0 CAADHN NC(=O)NCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099650571 776174986 /nfs/dbraw/zinc/17/49/86/776174986.db2.gz HFVLOSLECBOGHG-DTWKUNHWSA-N 0 3 274.321 -2.412 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@@H]1CC(=O)NC(=O)N1 ZINC001083820406 776175916 /nfs/dbraw/zinc/17/59/16/776175916.db2.gz KYVAOCHNPAZPRZ-AEJSXWLSSA-N 0 3 296.327 -1.844 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC001090053189 776176589 /nfs/dbraw/zinc/17/65/89/776176589.db2.gz YVYSYHXVRCBLRM-CHWSQXEVSA-N 0 3 295.339 -1.133 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)c1cc[n+]([O-])cc1 ZINC001090053192 776176670 /nfs/dbraw/zinc/17/66/70/776176670.db2.gz YVYSYHXVRCBLRM-STQMWFEESA-N 0 3 295.339 -1.133 20 0 CAADHN COCCN1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@H](O)C1 ZINC001090051103 776177108 /nfs/dbraw/zinc/17/71/08/776177108.db2.gz RLCOWICAKZDBSB-GXSJLCMTSA-N 0 3 296.327 -1.006 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001090055546 776177177 /nfs/dbraw/zinc/17/71/77/776177177.db2.gz USASKGLIRTZOTP-ZJUUUORDSA-N 0 3 284.320 -2.129 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090055279 776177614 /nfs/dbraw/zinc/17/76/14/776177614.db2.gz QNRGDTHAIDBVCF-ZJUUUORDSA-N 0 3 284.320 -2.393 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@H]1O)c1cc[n+]([O-])cc1 ZINC001090053191 776177717 /nfs/dbraw/zinc/17/77/17/776177717.db2.gz YVYSYHXVRCBLRM-QWHCGFSZSA-N 0 3 295.339 -1.133 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001090059431 776178711 /nfs/dbraw/zinc/17/87/11/776178711.db2.gz XFKPEZMJBGBCLE-NXEZZACHSA-N 0 3 286.311 -1.416 20 0 CAADHN O=C(CN1CCCC1=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090058666 776179093 /nfs/dbraw/zinc/17/90/93/776179093.db2.gz AGOVZYBPTFMIAL-NWDGAFQWSA-N 0 3 299.371 -1.457 20 0 CAADHN O=C(Cn1cnnn1)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001090059442 776179150 /nfs/dbraw/zinc/17/91/50/776179150.db2.gz XFKPEZMJBGBCLE-VHSXEESVSA-N 0 3 286.311 -1.416 20 0 CAADHN Cn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)cn1 ZINC001090059375 776179366 /nfs/dbraw/zinc/17/93/66/776179366.db2.gz GFMNQPAXUHVVOS-RYUDHWBXSA-N 0 3 282.344 -1.033 20 0 CAADHN O=C(CN1CCCC1=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090058663 776179408 /nfs/dbraw/zinc/17/94/08/776179408.db2.gz AGOVZYBPTFMIAL-NEPJUHHUSA-N 0 3 299.371 -1.457 20 0 CAADHN O=C(CN1CCCC1=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090058668 776179509 /nfs/dbraw/zinc/17/95/09/776179509.db2.gz AGOVZYBPTFMIAL-RYUDHWBXSA-N 0 3 299.371 -1.457 20 0 CAADHN COCC(=O)NCCC(=O)NCCN[C@@H](C)C(N)=O ZINC001128691809 776208893 /nfs/dbraw/zinc/20/88/93/776208893.db2.gz NDSBYBXKOBHDNR-QMMMGPOBSA-N 0 3 274.321 -2.281 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001090061021 776180305 /nfs/dbraw/zinc/18/03/05/776180305.db2.gz NPDBHSPNFBMNFK-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001090061022 776181138 /nfs/dbraw/zinc/18/11/38/776181138.db2.gz NPDBHSPNFBMNFK-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN CC[C@@H]1CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)O1 ZINC001128545478 776193476 /nfs/dbraw/zinc/19/34/76/776193476.db2.gz YINMGPBAJXZSFF-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN(C)C(=O)C(C)C ZINC001128590649 776197359 /nfs/dbraw/zinc/19/73/59/776197359.db2.gz SCCWCWFFFDICGA-SNVBAGLBSA-N 0 3 286.376 -1.059 20 0 CAADHN Cn1nccc1C(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090134209 776198005 /nfs/dbraw/zinc/19/80/05/776198005.db2.gz MVAOMQQPEYKVQS-PWSUYJOCSA-N 0 3 282.344 -1.033 20 0 CAADHN CC[C@H](NCCNC(=O)CNS(=O)(=O)CC)C(N)=O ZINC001128600665 776198032 /nfs/dbraw/zinc/19/80/32/776198032.db2.gz DFCLLDAEVHTVQV-QMMMGPOBSA-N 0 3 294.377 -2.105 20 0 CAADHN Cn1nccc1C(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090134207 776198118 /nfs/dbraw/zinc/19/81/18/776198118.db2.gz MVAOMQQPEYKVQS-CMPLNLGQSA-N 0 3 282.344 -1.033 20 0 CAADHN CNC(=O)CNCCNC(=O)CCNS(C)(=O)=O ZINC001128600865 776198254 /nfs/dbraw/zinc/19/82/54/776198254.db2.gz GTDPQOHSPNBZRC-UHFFFAOYSA-N 0 3 280.350 -2.623 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCN[C@H](C)C(N)=O ZINC001128595165 776198837 /nfs/dbraw/zinc/19/88/37/776198837.db2.gz SVQPNZUAYRTCHM-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN CC[C@H](NCCNC(=O)CN(C)S(C)(=O)=O)C(N)=O ZINC001128608937 776198950 /nfs/dbraw/zinc/19/89/50/776198950.db2.gz HCHCIAYUXIUPMN-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@H](NCCNC(=O)CN(C)S(C)(=O)=O)C(N)=O ZINC001128604361 776199305 /nfs/dbraw/zinc/19/93/05/776199305.db2.gz WKEIWHYUISFKSH-ZETCQYMHSA-N 0 3 280.350 -2.543 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCNCCF ZINC001128594695 776199353 /nfs/dbraw/zinc/19/93/53/776199353.db2.gz KLNIINHXVQGHFP-UHFFFAOYSA-N 0 3 255.315 -1.399 20 0 CAADHN C[C@H](NCCNC(=O)CCNS(C)(=O)=O)C(N)=O ZINC001128603816 776199601 /nfs/dbraw/zinc/19/96/01/776199601.db2.gz NRPWDLNQDUKQMB-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCN[C@H]1CCNC1=O ZINC001128594273 776199630 /nfs/dbraw/zinc/19/96/30/776199630.db2.gz ASXYGFOONNQWBR-QMMMGPOBSA-N 0 3 292.361 -2.480 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCN[C@@H](C)C(N)=O ZINC001128595167 776199653 /nfs/dbraw/zinc/19/96/53/776199653.db2.gz SVQPNZUAYRTCHM-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCN[C@@H]1CCNC1=O ZINC001128594272 776199659 /nfs/dbraw/zinc/19/96/59/776199659.db2.gz ASXYGFOONNQWBR-MRVPVSSYSA-N 0 3 292.361 -2.480 20 0 CAADHN CN(CC(=O)NCCN[C@@H]1CCNC1=O)S(C)(=O)=O ZINC001128603268 776199706 /nfs/dbraw/zinc/19/97/06/776199706.db2.gz DWRVIHXHXJDFLM-MRVPVSSYSA-N 0 3 292.361 -2.528 20 0 CAADHN CC[C@@H](NCCNC(=O)CCNS(C)(=O)=O)C(N)=O ZINC001128609260 776200972 /nfs/dbraw/zinc/20/09/72/776200972.db2.gz RPNZCWFDKGJNFW-MRVPVSSYSA-N 0 3 294.377 -2.105 20 0 CAADHN Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2O)c1C ZINC001090136530 776201151 /nfs/dbraw/zinc/20/11/51/776201151.db2.gz GBIOALIGYCZDJJ-VHSXEESVSA-N 0 3 295.343 -1.323 20 0 CAADHN C[C@H](NCCNC(=O)CN(C)C(=O)C1CC1)C(N)=O ZINC001128619351 776201201 /nfs/dbraw/zinc/20/12/01/776201201.db2.gz VLZXZZWYMALGNX-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN Cc1n[nH]c(C(=O)N[C@H]2CCN(CC(N)=O)C[C@@H]2O)c1C ZINC001090136528 776201227 /nfs/dbraw/zinc/20/12/27/776201227.db2.gz GBIOALIGYCZDJJ-UWVGGRQHSA-N 0 3 295.343 -1.323 20 0 CAADHN Cc1n[nH]c(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2O)c1C ZINC001090136532 776201289 /nfs/dbraw/zinc/20/12/89/776201289.db2.gz GBIOALIGYCZDJJ-ZJUUUORDSA-N 0 3 295.343 -1.323 20 0 CAADHN CCN1C[C@@H](C(=O)NCCNCC(=O)N(C)C)CC1=O ZINC001128644325 776201559 /nfs/dbraw/zinc/20/15/59/776201559.db2.gz PXRBGMBVNWRARW-JTQLQIEISA-N 0 3 284.360 -1.351 20 0 CAADHN CNC(=O)CNCCNC(=O)CN(C)C(=O)COC ZINC001128619381 776201931 /nfs/dbraw/zinc/20/19/31/776201931.db2.gz WORJBNNZEQKGAT-UHFFFAOYSA-N 0 3 274.321 -2.457 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCNC(=O)[C@@H]1C[C@H]1C ZINC001128632595 776202360 /nfs/dbraw/zinc/20/23/60/776202360.db2.gz IJMOJWOZJHKACF-GHMZBOCLSA-N 0 3 298.387 -1.009 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCNC(=O)[C@H]1C[C@H]1C ZINC001128632596 776202603 /nfs/dbraw/zinc/20/26/03/776202603.db2.gz IJMOJWOZJHKACF-MNOVXSKESA-N 0 3 298.387 -1.009 20 0 CAADHN CC(C)N1C[C@H](C(=O)NCCN[C@@H](C)C(N)=O)CC1=O ZINC001128637563 776202689 /nfs/dbraw/zinc/20/26/89/776202689.db2.gz ANNJNEIIJDBPIC-VHSXEESVSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC001128640267 776202712 /nfs/dbraw/zinc/20/27/12/776202712.db2.gz QRBJBFWYZZSAQR-SNVBAGLBSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNCCNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C ZINC001128633137 776202828 /nfs/dbraw/zinc/20/28/28/776202828.db2.gz MNFUFUDTVWBMJH-VHSXEESVSA-N 0 3 284.360 -1.400 20 0 CAADHN C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCNCC(=O)N(C)C ZINC001128632298 776202838 /nfs/dbraw/zinc/20/28/38/776202838.db2.gz HZCYPTFXPOJIOA-WDEREUQCSA-N 0 3 298.387 -1.057 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCN[C@H](C)C(N)=O ZINC001128619532 776202846 /nfs/dbraw/zinc/20/28/46/776202846.db2.gz YOCGBGHUCPUWHF-MRVPVSSYSA-N 0 3 274.321 -2.329 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC1=O ZINC001128664499 776203213 /nfs/dbraw/zinc/20/32/13/776203213.db2.gz DKBLOMQESXOJNI-IUCAKERBSA-N 0 3 296.327 -2.024 20 0 CAADHN CCN1C[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)CC1=O ZINC001128651307 776203228 /nfs/dbraw/zinc/20/32/28/776203228.db2.gz TXPVXHJENYJABB-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN1C[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)CC1=O ZINC001128651301 776203257 /nfs/dbraw/zinc/20/32/57/776203257.db2.gz TXPVXHJENYJABB-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN1C[C@@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001128649984 776203329 /nfs/dbraw/zinc/20/33/29/776203329.db2.gz HYSHTIDYSGMDET-QMMMGPOBSA-N 0 3 256.306 -1.954 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CC(=O)N(CC)C1)C(N)=O ZINC001128650709 776203559 /nfs/dbraw/zinc/20/35/59/776203559.db2.gz OEXPEYNLTPYVOI-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN1C[C@H](C(=O)NCCN[C@@H](C)C(N)=O)CC1=O ZINC001128650501 776203954 /nfs/dbraw/zinc/20/39/54/776203954.db2.gz MLNRVBIATCYACN-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CC(=O)N(CC)C1)C(N)=O ZINC001128650707 776203972 /nfs/dbraw/zinc/20/39/72/776203972.db2.gz OEXPEYNLTPYVOI-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN1C[C@H](C(=O)NCCNCC(=O)NC2CC2)CC1=O ZINC001128649105 776204095 /nfs/dbraw/zinc/20/40/95/776204095.db2.gz AHMCCGNIEWNWKY-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CC(=O)N(C)C1)C1CC1 ZINC001128665150 776204122 /nfs/dbraw/zinc/20/41/22/776204122.db2.gz JLZKTFTVLARAJH-JTQLQIEISA-N 0 3 296.371 -1.209 20 0 CAADHN CCN1C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CC1=O ZINC001128650211 776204163 /nfs/dbraw/zinc/20/41/63/776204163.db2.gz KMLKINHMCUNNET-QMMMGPOBSA-N 0 3 299.331 -2.245 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128665176 776204203 /nfs/dbraw/zinc/20/42/03/776204203.db2.gz KGIRBFXPABENRA-MRVPVSSYSA-N 0 3 256.306 -2.084 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC001128665151 776204331 /nfs/dbraw/zinc/20/43/31/776204331.db2.gz JLZKTFTVLARAJH-SNVBAGLBSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)NC(N)=O ZINC001128672506 776204921 /nfs/dbraw/zinc/20/49/21/776204921.db2.gz IOGUJZQHNZZBKY-YUMQZZPRSA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)NC1CC1 ZINC001128673421 776205154 /nfs/dbraw/zinc/20/51/54/776205154.db2.gz LRFNNAAERFMDQV-VHSXEESVSA-N 0 3 296.371 -1.162 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128665343 776205164 /nfs/dbraw/zinc/20/51/64/776205164.db2.gz OHMDHDOHCZBHFH-VIFPVBQESA-N 0 3 270.333 -1.741 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@H]2CCCNC2=O)CC1=O ZINC001128665475 776205174 /nfs/dbraw/zinc/20/51/74/776205174.db2.gz OWKFGWAESYQYGH-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CC(=O)N(C)C2)C1=O ZINC001128673408 776205200 /nfs/dbraw/zinc/20/52/00/776205200.db2.gz LKOUYCATFAVKCY-ZJUUUORDSA-N 0 3 282.344 -1.599 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CC(=O)N(C)C1)C(N)=O ZINC001128665895 776205243 /nfs/dbraw/zinc/20/52/43/776205243.db2.gz VWGKSONSTBNUHZ-YUMQZZPRSA-N 0 3 256.306 -1.956 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)CC1=O ZINC001128665472 776205526 /nfs/dbraw/zinc/20/55/26/776205526.db2.gz OWKFGWAESYQYGH-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)CC1=O ZINC001128665470 776205403 /nfs/dbraw/zinc/20/54/03/776205403.db2.gz OWISMOPEQINTBL-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)N2CCC2)CC1=O ZINC001128665237 776205546 /nfs/dbraw/zinc/20/55/46/776205546.db2.gz LNONVGSLXPDULL-SNVBAGLBSA-N 0 3 282.344 -1.597 20 0 CAADHN COCC(=O)NCCC(=O)NCCNCc1cnn(C)c1 ZINC001128686540 776206404 /nfs/dbraw/zinc/20/64/04/776206404.db2.gz RUAWLHJPDHYENS-UHFFFAOYSA-N 0 3 297.359 -1.221 20 0 CAADHN COCC(=O)NCCC(=O)NCCNCc1cncn1C ZINC001128686213 776207108 /nfs/dbraw/zinc/20/71/08/776207108.db2.gz NCBWEIBQXZDXNQ-UHFFFAOYSA-N 0 3 297.359 -1.221 20 0 CAADHN COCC(=O)NCCC(=O)NCCN[C@H]1CCNC1=O ZINC001128686058 776207220 /nfs/dbraw/zinc/20/72/20/776207220.db2.gz LKJMBIDKFMYSFQ-VIFPVBQESA-N 0 3 286.332 -2.267 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001128679856 776207327 /nfs/dbraw/zinc/20/73/27/776207327.db2.gz LQKXUXBRYVBJHZ-LLVKDONJSA-N 0 3 298.387 -1.057 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CC(=O)N(C)C1)C(N)=O ZINC001128674089 776207356 /nfs/dbraw/zinc/20/73/56/776207356.db2.gz QJYIMUHHPQDCPZ-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CC(C)CN1C[C@@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001128680483 776207458 /nfs/dbraw/zinc/20/74/58/776207458.db2.gz UCRWDGHGWPORJR-JTQLQIEISA-N 0 3 284.360 -1.318 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CC(=O)N(C)C1)C(N)=O ZINC001128674087 776207681 /nfs/dbraw/zinc/20/76/81/776207681.db2.gz QJYIMUHHPQDCPZ-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128671659 776207833 /nfs/dbraw/zinc/20/78/33/776207833.db2.gz CIGNGJDHNBSDSG-IUCAKERBSA-N 0 3 270.333 -1.695 20 0 CAADHN O=C(CCn1ccccc1=O)NCCN[C@@H]1CCNC1=O ZINC001128715263 776208588 /nfs/dbraw/zinc/20/85/88/776208588.db2.gz FMHCYKLTSILJOL-LLVKDONJSA-N 0 3 292.339 -1.167 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001128721048 776208765 /nfs/dbraw/zinc/20/87/65/776208765.db2.gz VXVGPQATGAOSRZ-DTWKUNHWSA-N 0 3 298.343 -1.636 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)N1C(=O)CCC1=O)C(N)=O ZINC001128720757 776209237 /nfs/dbraw/zinc/20/92/37/776209237.db2.gz SVKBZGJNOZSBIN-SFYZADRCSA-N 0 3 284.316 -1.897 20 0 CAADHN C[C@H](NCCNC(=O)CCCNC(=O)C1CC1)C(N)=O ZINC001128696711 776209343 /nfs/dbraw/zinc/20/93/43/776209343.db2.gz OQXSWFDKEAUIGO-VIFPVBQESA-N 0 3 284.360 -1.128 20 0 CAADHN Nc1nccnc1C(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090142124 776210445 /nfs/dbraw/zinc/21/04/45/776210445.db2.gz SUJMZSKOOODRFJ-ZJUUUORDSA-N 0 3 295.343 -1.394 20 0 CAADHN C[C@@H](C(=O)NCCNCC(N)=O)N1C(=O)CCC1=O ZINC001128728445 776210481 /nfs/dbraw/zinc/21/04/81/776210481.db2.gz ODYXRIMJYRPWJN-ZETCQYMHSA-N 0 3 270.289 -2.285 20 0 CAADHN Nc1nccnc1C(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090142114 776211111 /nfs/dbraw/zinc/21/11/11/776211111.db2.gz SUJMZSKOOODRFJ-NXEZZACHSA-N 0 3 295.343 -1.394 20 0 CAADHN C[C@H](C(=O)NCCNCC(N)=O)N1C(=O)CCC1=O ZINC001128728443 776211205 /nfs/dbraw/zinc/21/12/05/776211205.db2.gz ODYXRIMJYRPWJN-SSDOTTSWSA-N 0 3 270.289 -2.285 20 0 CAADHN C[C@@H](C(=O)NCCN[C@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001128728192 776211245 /nfs/dbraw/zinc/21/12/45/776211245.db2.gz MTDCSIRGSMMTKU-IUCAKERBSA-N 0 3 296.327 -1.882 20 0 CAADHN Cn1c(=O)ccn(CC(=O)NCCNCCF)c1=O ZINC001128763857 776212561 /nfs/dbraw/zinc/21/25/61/776212561.db2.gz JZEIAGFBOWCFQJ-UHFFFAOYSA-N 0 3 272.280 -1.778 20 0 CAADHN CNC(=O)CNCCNC(=O)CCCN1C(=O)CCC1=O ZINC001128752705 776212760 /nfs/dbraw/zinc/21/27/60/776212760.db2.gz HFDGPTCLZDDSIA-UHFFFAOYSA-N 0 3 298.343 -1.633 20 0 CAADHN C[C@@H](NCCNC(=O)CCCN1C(=O)CCC1=O)C(N)=O ZINC001128758248 776212881 /nfs/dbraw/zinc/21/28/81/776212881.db2.gz IYEKNRKTLORYKT-SECBINFHSA-N 0 3 298.343 -1.505 20 0 CAADHN O=C(Cc1cc[nH]n1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090160393 776213979 /nfs/dbraw/zinc/21/39/79/776213979.db2.gz ZRUJIGGCXYLLDB-NEPJUHHUSA-N 0 3 282.344 -1.114 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNC(=O)NC ZINC001128789536 776214117 /nfs/dbraw/zinc/21/41/17/776214117.db2.gz JQRSPLYSMPWDDZ-UHFFFAOYSA-N 0 3 259.310 -2.243 20 0 CAADHN Cc1c(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)nnn1C ZINC001090158239 776214577 /nfs/dbraw/zinc/21/45/77/776214577.db2.gz HSESZRGKQZABNH-MNOVXSKESA-N 0 3 297.359 -1.329 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001128788985 776214851 /nfs/dbraw/zinc/21/48/51/776214851.db2.gz BYBFAEZWFKOHQH-ZETCQYMHSA-N 0 3 285.304 -2.574 20 0 CAADHN Cc1c(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)nnn1C ZINC001090158240 776215063 /nfs/dbraw/zinc/21/50/63/776215063.db2.gz HSESZRGKQZABNH-QWRGUYRKSA-N 0 3 297.359 -1.329 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)CNC(=O)NC ZINC001128789560 776215077 /nfs/dbraw/zinc/21/50/77/776215077.db2.gz KQQUQYIDYCTMIM-SECBINFHSA-N 0 3 287.364 -1.464 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001128789830 776215601 /nfs/dbraw/zinc/21/56/01/776215601.db2.gz MNPVGSUZCKIWJV-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CNC(=O)NCC(=O)NCCNCc1cncn1C ZINC001128790130 776215692 /nfs/dbraw/zinc/21/56/92/776215692.db2.gz QIUGLXZLRHAUFD-UHFFFAOYSA-N 0 3 268.321 -1.445 20 0 CAADHN CC[C@@H](NCCNC(=O)CNC(=O)NC)C(N)=O ZINC001128795041 776215705 /nfs/dbraw/zinc/21/57/05/776215705.db2.gz HHTKOUSNHSUZNS-SSDOTTSWSA-N 0 3 259.310 -2.115 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)N(C)C(C)C ZINC001128789844 776215747 /nfs/dbraw/zinc/21/57/47/776215747.db2.gz MWZKLDLTCCLYQI-UHFFFAOYSA-N 0 3 287.364 -1.512 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@H]1CCNC1=O ZINC001128790186 776215993 /nfs/dbraw/zinc/21/59/93/776215993.db2.gz RRLOWASDYIQJPQ-ZETCQYMHSA-N 0 3 257.294 -2.490 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)NC(=O)NC ZINC001128789922 776216166 /nfs/dbraw/zinc/21/61/66/776216166.db2.gz OXILJVDUTDVGIR-UHFFFAOYSA-N 0 3 288.308 -2.923 20 0 CAADHN CC[C@H](NCCNC(=O)CNC(=O)NC)C(N)=O ZINC001128795042 776216256 /nfs/dbraw/zinc/21/62/56/776216256.db2.gz HHTKOUSNHSUZNS-ZETCQYMHSA-N 0 3 259.310 -2.115 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001128790770 776216301 /nfs/dbraw/zinc/21/63/01/776216301.db2.gz ZTGRTTKLPNRZTH-UHFFFAOYSA-N 0 3 287.364 -1.464 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)N(C)C ZINC001128790472 776216570 /nfs/dbraw/zinc/21/65/70/776216570.db2.gz UPNUJTMBHHIFET-UHFFFAOYSA-N 0 3 259.310 -2.291 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001128789887 776216739 /nfs/dbraw/zinc/21/67/39/776216739.db2.gz NXUFLVXTFPQRHZ-UHFFFAOYSA-N 0 3 299.375 -1.320 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)N[C@H](C)C1CC1 ZINC001128795551 776217280 /nfs/dbraw/zinc/21/72/80/776217280.db2.gz PREVGVSPRWYUTR-SECBINFHSA-N 0 3 299.375 -1.464 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CNC(=O)NC)C1=O ZINC001128795783 776217810 /nfs/dbraw/zinc/21/78/10/776217810.db2.gz UXXKGZDVJWUZDC-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001128799764 776218107 /nfs/dbraw/zinc/21/81/07/776218107.db2.gz IAZBJVPJWQZNKV-LURJTMIESA-N 0 3 288.308 -2.795 20 0 CAADHN COCC1(C(=O)NCCNCC(N)=O)CCOCC1 ZINC001128854614 776218926 /nfs/dbraw/zinc/21/89/26/776218926.db2.gz OGSGHCXSAMVCNQ-UHFFFAOYSA-N 0 3 273.333 -1.379 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc2n[nH]nc2n1 ZINC001128879395 776220533 /nfs/dbraw/zinc/22/05/33/776220533.db2.gz CXMFCSIOVMUPTI-UHFFFAOYSA-N 0 3 263.261 -1.842 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090196102 776220598 /nfs/dbraw/zinc/22/05/98/776220598.db2.gz BKVRUGSOHQZEJM-ZJUUUORDSA-N 0 3 299.331 -1.819 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccc2n[nH]nc2n1 ZINC001128879923 776221187 /nfs/dbraw/zinc/22/11/87/776221187.db2.gz NGKPDPZKVXYSLS-UHFFFAOYSA-N 0 3 291.315 -1.240 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090197514 776221726 /nfs/dbraw/zinc/22/17/26/776221726.db2.gz NRMXEMBMZFHJOM-RKDXNWHRSA-N 0 3 269.305 -1.445 20 0 CAADHN Cn1cnc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)c1 ZINC001090196961 776221835 /nfs/dbraw/zinc/22/18/35/776221835.db2.gz IDHZUPHLHQKMEQ-CMPLNLGQSA-N 0 3 282.344 -1.033 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001128861535 776221910 /nfs/dbraw/zinc/22/19/10/776221910.db2.gz ZLQPDTDWEWFLHS-MNOVXSKESA-N 0 3 292.343 -1.095 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cc2n(n1)CCC2 ZINC001128905352 776222931 /nfs/dbraw/zinc/22/29/31/776222931.db2.gz PCSTXCAITBBPRX-UHFFFAOYSA-N 0 3 294.315 -1.656 20 0 CAADHN COc1nc(C)ncc1C(=O)NCCNCC(N)=O ZINC001128918548 776225777 /nfs/dbraw/zinc/22/57/77/776225777.db2.gz KFSRQCLJJRRLKX-UHFFFAOYSA-N 0 3 267.289 -1.402 20 0 CAADHN COCCN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001090219678 776227866 /nfs/dbraw/zinc/22/78/66/776227866.db2.gz VCTDRFGYCSGIRU-STQMWFEESA-N 0 3 299.371 -1.338 20 0 CAADHN O=C(CCc1c[nH]cn1)NCCN[C@H]1CCC(=O)NC1=O ZINC001128967555 776229271 /nfs/dbraw/zinc/22/92/71/776229271.db2.gz WDNKUSIRDWYZJY-JTQLQIEISA-N 0 3 293.327 -1.147 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)C1 ZINC001090223938 776229443 /nfs/dbraw/zinc/22/94/43/776229443.db2.gz BHBKLRDSLAAPDX-STQMWFEESA-N 0 3 299.371 -1.602 20 0 CAADHN Cn1oc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)cc1=O ZINC001090224960 776230735 /nfs/dbraw/zinc/23/07/35/776230735.db2.gz JFVDAEGCRIZOJT-NXEZZACHSA-N 0 3 299.327 -1.474 20 0 CAADHN Cn1cnc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090227081 776231184 /nfs/dbraw/zinc/23/11/84/776231184.db2.gz HDIDXRYUQJDFCN-VHSXEESVSA-N 0 3 283.332 -1.638 20 0 CAADHN O=C(Cc1cncnc1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090232889 776232634 /nfs/dbraw/zinc/23/26/34/776232634.db2.gz ZQMIUDSKCVNTKC-OLZOCXBDSA-N 0 3 294.355 -1.047 20 0 CAADHN Cn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)nn1 ZINC001090239061 776234238 /nfs/dbraw/zinc/23/42/38/776234238.db2.gz BAKGFUCUYXUFSZ-ONGXEEELSA-N 0 3 283.332 -1.638 20 0 CAADHN Cn1nncc1C(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090238395 776234408 /nfs/dbraw/zinc/23/44/08/776234408.db2.gz YAJAQDYBVVYYEN-MWLCHTKSSA-N 0 3 283.332 -1.638 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@H]1O)c1ncc[nH]1 ZINC001090235227 776234954 /nfs/dbraw/zinc/23/49/54/776234954.db2.gz CUWQVGKDQVSLHF-VHSXEESVSA-N 0 3 268.317 -1.043 20 0 CAADHN CCn1nncc1C(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090249552 776235762 /nfs/dbraw/zinc/23/57/62/776235762.db2.gz PSOCEGMCGAOMKJ-JQWIXIFHSA-N 0 3 297.359 -1.155 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCc1c[nH]cn1 ZINC001128992282 776236119 /nfs/dbraw/zinc/23/61/19/776236119.db2.gz YOMHXXDZDPTFIB-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN Cc1nnc(CC(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)o1 ZINC001090246883 776236334 /nfs/dbraw/zinc/23/63/34/776236334.db2.gz PFWJIXVWGVKZAJ-GHMZBOCLSA-N 0 3 298.343 -1.146 20 0 CAADHN CCn1nncc1C(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090249554 776236442 /nfs/dbraw/zinc/23/64/42/776236442.db2.gz PSOCEGMCGAOMKJ-ZYHUDNBSSA-N 0 3 297.359 -1.155 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)CCN1CCN(C)CC1 ZINC001143224229 776238069 /nfs/dbraw/zinc/23/80/69/776238069.db2.gz PFFPYTLAMWBUEH-GHMZBOCLSA-N 0 3 259.350 -1.518 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@H](O)C1 ZINC001090257512 776238291 /nfs/dbraw/zinc/23/82/91/776238291.db2.gz IRKUWEHKKGCXED-GHMZBOCLSA-N 0 3 297.359 -1.147 20 0 CAADHN Cc1nnc(CC(=O)N[C@@H]2CCN(CCO)C[C@@H]2O)[nH]1 ZINC001090255755 776238408 /nfs/dbraw/zinc/23/84/08/776238408.db2.gz HDLADAKWUOKXKL-ZJUUUORDSA-N 0 3 283.332 -1.801 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1cnn(C)c1C ZINC001129048604 776239945 /nfs/dbraw/zinc/23/99/45/776239945.db2.gz SDDRQUOTOJTIEC-UHFFFAOYSA-N 0 3 267.333 -1.277 20 0 CAADHN Cc1c(CC(=O)NCCN[C@H](C)C(N)=O)cnn1C ZINC001129052553 776239999 /nfs/dbraw/zinc/23/99/99/776239999.db2.gz KFRXXECMTXETCF-MRVPVSSYSA-N 0 3 267.333 -1.149 20 0 CAADHN Cc1c(CC(=O)NCCNCC(=O)NC(N)=O)cnn1C ZINC001129052118 776240407 /nfs/dbraw/zinc/24/04/07/776240407.db2.gz DVBGVVDJHSZYDZ-UHFFFAOYSA-N 0 3 296.331 -1.828 20 0 CAADHN Cc1c(CC(=O)NCCN[C@H]2CCNC2=O)cnn1C ZINC001129052595 776240484 /nfs/dbraw/zinc/24/04/84/776240484.db2.gz LCWGANUMTNPWLK-NSHDSACASA-N 0 3 279.344 -1.135 20 0 CAADHN C[C@@H](C(=O)NCCNCC(N)=O)n1nnnc1C(C)(C)C ZINC001129060667 776242113 /nfs/dbraw/zinc/24/21/13/776242113.db2.gz IYUMNDNFHQWQGS-QMMMGPOBSA-N 0 3 297.363 -1.277 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCCn1ccnn1 ZINC001129172577 776245689 /nfs/dbraw/zinc/24/56/89/776245689.db2.gz PSMNSSURSWGNCW-UHFFFAOYSA-N 0 3 282.348 -1.100 20 0 CAADHN C[C@@H](NCCNC(=O)CCCn1ccnn1)C(N)=O ZINC001129172588 776245811 /nfs/dbraw/zinc/24/58/11/776245811.db2.gz PYODQNNKMMQFQN-SECBINFHSA-N 0 3 268.321 -1.362 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H]1CCOC[C@@H]1OC ZINC001129207766 776245829 /nfs/dbraw/zinc/24/58/29/776245829.db2.gz KZKMVNFDOWHOEO-MNOVXSKESA-N 0 3 287.360 -1.120 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCc2ncncc2C1 ZINC001129218422 776246152 /nfs/dbraw/zinc/24/61/52/776246152.db2.gz JYHQUSDNZIYLSO-VIFPVBQESA-N 0 3 277.328 -1.227 20 0 CAADHN CO[C@@H]1COCC[C@H]1CC(=O)NCCNCC(N)=O ZINC001129212845 776246812 /nfs/dbraw/zinc/24/68/12/776246812.db2.gz IPETWSMDWGSTQE-VHSXEESVSA-N 0 3 273.333 -1.381 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCC(=O)NC1)C(N)=O ZINC001129254626 776247267 /nfs/dbraw/zinc/24/72/67/776247267.db2.gz BLNPPIXTQFTKFO-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@@H]2CCC(=O)NC2)C1=O ZINC001129254844 776247550 /nfs/dbraw/zinc/24/75/50/776247550.db2.gz BTDLYLXFTXFQFH-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccnc2ccnn21 ZINC001129244231 776247849 /nfs/dbraw/zinc/24/78/49/776247849.db2.gz RSVLPGGZJOIAQS-UHFFFAOYSA-N 0 3 262.273 -1.466 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccnc2ccnn21)C(N)=O ZINC001129243382 776248069 /nfs/dbraw/zinc/24/80/69/776248069.db2.gz CJCAIXVOPFOYDB-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001129256970 776248132 /nfs/dbraw/zinc/24/81/32/776248132.db2.gz WLTZNZGOCVHNKC-VIFPVBQESA-N 0 3 270.333 -1.646 20 0 CAADHN NC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001129254871 776248171 /nfs/dbraw/zinc/24/81/71/776248171.db2.gz CPCZBRKHTVATTR-QMMMGPOBSA-N 0 3 256.306 -1.906 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001129255137 776248277 /nfs/dbraw/zinc/24/82/77/776248277.db2.gz GEYLTZDYJFWRFX-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCC(=O)NC1)C(N)=O ZINC001129254627 776248362 /nfs/dbraw/zinc/24/83/62/776248362.db2.gz BLNPPIXTQFTKFO-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](NCCNC(=O)c1ccnc2ccnn21)C(N)=O ZINC001129243383 776248399 /nfs/dbraw/zinc/24/83/99/776248399.db2.gz CJCAIXVOPFOYDB-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869115 776249390 /nfs/dbraw/zinc/24/93/90/776249390.db2.gz OMNYRBMXXPEMEW-BDAKNGLRSA-N 0 3 284.316 -1.891 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869033 776249527 /nfs/dbraw/zinc/24/95/27/776249527.db2.gz KSPRDXRBBSQSPF-BDAKNGLRSA-N 0 3 284.316 -1.892 20 0 CAADHN O=C(CNCCNC(=O)C[C@@H]1CCC(=O)NC1)NC1CC1 ZINC001129262440 776249547 /nfs/dbraw/zinc/24/95/47/776249547.db2.gz PSGUGTJHRKTCRN-JTQLQIEISA-N 0 3 296.371 -1.113 20 0 CAADHN O=C(C[C@H]1CCC(=O)NC1)NCCN[C@@H]1CCNC1=O ZINC001129257092 776249676 /nfs/dbraw/zinc/24/96/76/776249676.db2.gz ZOSLPTQMUHRKLB-NXEZZACHSA-N 0 3 282.344 -1.503 20 0 CAADHN O=C(C[C@@H]1CCC(=O)NC1)NCCN[C@@H]1CCNC1=O ZINC001129257095 776250024 /nfs/dbraw/zinc/25/00/24/776250024.db2.gz ZOSLPTQMUHRKLB-VHSXEESVSA-N 0 3 282.344 -1.503 20 0 CAADHN CCn1nnc(C)c1C(=O)NCCN[C@@H](C)C(N)=O ZINC001129275019 776253719 /nfs/dbraw/zinc/25/37/19/776253719.db2.gz NUTROTSIPRVNMH-QMMMGPOBSA-N 0 3 268.321 -1.200 20 0 CAADHN COCCN1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001083873665 776255700 /nfs/dbraw/zinc/25/57/00/776255700.db2.gz KRHHDMZDCACPQZ-SFYZADRCSA-N 0 3 255.278 -1.774 20 0 CAADHN COCCN1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083873665 776255696 /nfs/dbraw/zinc/25/56/96/776255696.db2.gz KRHHDMZDCACPQZ-SFYZADRCSA-N 0 3 255.278 -1.774 20 0 CAADHN COC[C@H](C)N1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001083874191 776257681 /nfs/dbraw/zinc/25/76/81/776257681.db2.gz JYRPLUAHKVBWDZ-YIZRAAEISA-N 0 3 269.305 -1.386 20 0 CAADHN COC[C@H](C)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083874191 776257687 /nfs/dbraw/zinc/25/76/87/776257687.db2.gz JYRPLUAHKVBWDZ-YIZRAAEISA-N 0 3 269.305 -1.386 20 0 CAADHN C[C@H](O)CN1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001083873996 776257924 /nfs/dbraw/zinc/25/79/24/776257924.db2.gz ZQIJCMTTZLUQSI-RNJXMRFFSA-N 0 3 255.278 -2.040 20 0 CAADHN C[C@H](O)CN1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083873996 776257930 /nfs/dbraw/zinc/25/79/30/776257930.db2.gz ZQIJCMTTZLUQSI-RNJXMRFFSA-N 0 3 255.278 -2.040 20 0 CAADHN C[C@H](O)CN1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001083873996 776257937 /nfs/dbraw/zinc/25/79/37/776257937.db2.gz ZQIJCMTTZLUQSI-RNJXMRFFSA-N 0 3 255.278 -2.040 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001090267714 776258283 /nfs/dbraw/zinc/25/82/83/776258283.db2.gz CORUTAXHHNSTHF-NXEZZACHSA-N 0 3 286.311 -1.416 20 0 CAADHN O=C(N[C@@H]1CN(CCCO)C[C@@H]1O)c1nnc[nH]1 ZINC001083874312 776258401 /nfs/dbraw/zinc/25/84/01/776258401.db2.gz QZJMSYMMIIZFNV-SFYZADRCSA-N 0 3 255.278 -2.038 20 0 CAADHN O=C(N[C@@H]1CN(CCCO)C[C@@H]1O)c1ncn[nH]1 ZINC001083874312 776258405 /nfs/dbraw/zinc/25/84/05/776258405.db2.gz QZJMSYMMIIZFNV-SFYZADRCSA-N 0 3 255.278 -2.038 20 0 CAADHN O=C(N[C@@H]1CN(CCCO)C[C@@H]1O)c1nc[nH]n1 ZINC001083874312 776258412 /nfs/dbraw/zinc/25/84/12/776258412.db2.gz QZJMSYMMIIZFNV-SFYZADRCSA-N 0 3 255.278 -2.038 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268348 776259175 /nfs/dbraw/zinc/25/91/75/776259175.db2.gz JTPNDQUNBLXOIA-RKDXNWHRSA-N 0 3 254.294 -1.756 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2ncnn2)[C@H](O)C1 ZINC001090268346 776259897 /nfs/dbraw/zinc/25/98/97/776259897.db2.gz JTPNDQUNBLXOIA-DTWKUNHWSA-N 0 3 254.294 -1.756 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090270589 776262661 /nfs/dbraw/zinc/26/26/61/776262661.db2.gz XZICYPKKNXMFKY-ZJUUUORDSA-N 0 3 284.320 -2.393 20 0 CAADHN O=C(Cn1ncnn1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090270586 776263001 /nfs/dbraw/zinc/26/30/01/776263001.db2.gz XZICYPKKNXMFKY-VHSXEESVSA-N 0 3 284.320 -2.393 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090274978 776264482 /nfs/dbraw/zinc/26/44/82/776264482.db2.gz JUCXHKDQHCJRQH-RKDXNWHRSA-N 0 3 296.331 -2.052 20 0 CAADHN C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)N1CCNCC1 ZINC000711730458 776265549 /nfs/dbraw/zinc/26/55/49/776265549.db2.gz OUHUBKAIQXMANA-BDAKNGLRSA-N 0 3 297.402 -1.841 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099690420 776266163 /nfs/dbraw/zinc/26/61/63/776266163.db2.gz OOHVJBJZFOEZJY-NWDGAFQWSA-N 0 3 287.360 -1.602 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N1CCC2(CN(C)C2)CC1)C(N)=O ZINC001273174194 776266476 /nfs/dbraw/zinc/26/64/76/776266476.db2.gz ORMSUOCCOYRWBU-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CC1CCN(CC(=O)N[C@@H]2CN(CCO)C[C@@H]2O)CC1 ZINC001083887611 776267723 /nfs/dbraw/zinc/26/77/23/776267723.db2.gz BGYQHPVCUWOZAD-OLZOCXBDSA-N 0 3 285.388 -1.128 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CCC(=O)N2)CCC1 ZINC001273186376 776269341 /nfs/dbraw/zinc/26/93/41/776269341.db2.gz LUEZREOEGUJRRA-QMMMGPOBSA-N 0 3 268.317 -1.621 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NCCNCC(=O)N1CCCC1 ZINC001129290666 776270237 /nfs/dbraw/zinc/27/02/37/776270237.db2.gz DCIFTYLSDBJUST-LLVKDONJSA-N 0 3 296.371 -1.159 20 0 CAADHN CCn1nnc(C)c1C(=O)NCCN[C@@H]1CCNC1=O ZINC001129290553 776270475 /nfs/dbraw/zinc/27/04/75/776270475.db2.gz ARTXMOUNIPBWNE-SECBINFHSA-N 0 3 280.332 -1.186 20 0 CAADHN O=C(CNCCNC(=O)C[C@@H]1CCNC1=O)NCC1CC1 ZINC001129290612 776271005 /nfs/dbraw/zinc/27/10/05/776271005.db2.gz CGUHTNZSJZWQHD-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN CCN(CC)CC(=O)NCC1(NC(=O)C(N)=O)CCC1 ZINC001063129626 776273123 /nfs/dbraw/zinc/27/31/23/776273123.db2.gz QXKXUNBAGQQYFX-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(NC(=O)C(N)=O)CCC1 ZINC001063346989 776273543 /nfs/dbraw/zinc/27/35/43/776273543.db2.gz YZMCMBYZUATXRY-UHFFFAOYSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCNC1=O)C(N)=O ZINC001129296733 776273572 /nfs/dbraw/zinc/27/35/72/776273572.db2.gz FMTHHVSWYFBEFN-JGVFFNPUSA-N 0 3 256.306 -1.908 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C[C@@H]1CCNC1=O ZINC001129297029 776274003 /nfs/dbraw/zinc/27/40/03/776274003.db2.gz JFGALGAVGUOYMZ-JTQLQIEISA-N 0 3 284.360 -1.255 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCNC1=O)C(N)=O ZINC001129296735 776274067 /nfs/dbraw/zinc/27/40/67/776274067.db2.gz FMTHHVSWYFBEFN-YUMQZZPRSA-N 0 3 256.306 -1.908 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NCCN[C@@H]1CCNC1=O ZINC001129296825 776274082 /nfs/dbraw/zinc/27/40/82/776274082.db2.gz HAIGTYXHFJOWES-RKDXNWHRSA-N 0 3 268.317 -1.893 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@H]1CCNC1=O ZINC001129297830 776274301 /nfs/dbraw/zinc/27/43/01/776274301.db2.gz PCMHBYFPASFOIA-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN O=C(CNCCNC(=O)C[C@@H]1CCNC1=O)NC1CC1 ZINC001129296812 776274553 /nfs/dbraw/zinc/27/45/53/776274553.db2.gz GYVSKUOLUAESRK-VIFPVBQESA-N 0 3 282.344 -1.503 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NCCN[C@@H]1CCCNC1=O ZINC001129296484 776274717 /nfs/dbraw/zinc/27/47/17/776274717.db2.gz ASKZYWHENHTVGB-VHSXEESVSA-N 0 3 282.344 -1.503 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129297468 776274823 /nfs/dbraw/zinc/27/48/23/776274823.db2.gz MJDZJQJVBGIION-BDAKNGLRSA-N 0 3 296.327 -1.976 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@H]1CCNC1=O)C(N)=O ZINC001129304026 776276049 /nfs/dbraw/zinc/27/60/49/776276049.db2.gz NEDHUMYBEMSIHI-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)C[C@H]1CCNC1=O ZINC001129302443 776276360 /nfs/dbraw/zinc/27/63/60/776276360.db2.gz DLIBRJOTYOWORL-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@H]2CCNC2=O)C1=O ZINC001129303702 776276501 /nfs/dbraw/zinc/27/65/01/776276501.db2.gz LEBIRUGCPYMYPX-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@H]1CCNC1=O ZINC001129298840 776276537 /nfs/dbraw/zinc/27/65/37/776276537.db2.gz YACDHBAIOUFOHQ-SECBINFHSA-N 0 3 270.333 -1.646 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCNC1=O)C(=O)NC1CC1 ZINC001129305915 776277533 /nfs/dbraw/zinc/27/75/33/776277533.db2.gz YTLGRTXYNIACHG-VHSXEESVSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCNC1=O)C(=O)NC1CC1 ZINC001129305916 776277547 /nfs/dbraw/zinc/27/75/47/776277547.db2.gz YTLGRTXYNIACHG-ZJUUUORDSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1cnc(C)o1 ZINC001129309111 776277759 /nfs/dbraw/zinc/27/77/59/776277759.db2.gz BYTUSSIGLBIBGF-UHFFFAOYSA-N 0 3 297.315 -1.313 20 0 CAADHN CCCN(C)CC(=O)NCC1(NC(=O)C(N)=O)CCC1 ZINC001063852442 776277819 /nfs/dbraw/zinc/27/78/19/776277819.db2.gz UZYVWKGVUCCPOO-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCNC1=O)C(=O)NC(N)=O ZINC001129302900 776277847 /nfs/dbraw/zinc/27/78/47/776277847.db2.gz IASPHGUNLKGHMO-YUMQZZPRSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCNC1=O)C(=O)NC(N)=O ZINC001129302892 776277891 /nfs/dbraw/zinc/27/78/91/776277891.db2.gz IASPHGUNLKGHMO-HTQZYQBOSA-N 0 3 299.331 -2.198 20 0 CAADHN CC[C@@H](C(=O)NC1(CNC(=O)C(N)=O)CCC1)N(C)C ZINC001064289806 776280420 /nfs/dbraw/zinc/28/04/20/776280420.db2.gz KUMMGZYVYIOPGC-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2(CNC(=O)C(N)=O)CCC2)C1 ZINC001064293678 776281698 /nfs/dbraw/zinc/28/16/98/776281698.db2.gz RVLKIQVXVXUGOC-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC001118260095 776282750 /nfs/dbraw/zinc/28/27/50/776282750.db2.gz BUHZBILDSQHSQO-YFKPBYRVSA-N 0 3 253.262 -1.048 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2nccn2)[C@H](O)C1 ZINC001090298311 776287326 /nfs/dbraw/zinc/28/73/26/776287326.db2.gz OHYVVXOKXONMRB-WDEREUQCSA-N 0 3 283.332 -1.524 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001090328225 776293153 /nfs/dbraw/zinc/29/31/53/776293153.db2.gz YMKROXLZAZZAGU-GHMZBOCLSA-N 0 3 285.344 -1.584 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001090328227 776293404 /nfs/dbraw/zinc/29/34/04/776293404.db2.gz YMKROXLZAZZAGU-QWRGUYRKSA-N 0 3 285.344 -1.584 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001090337269 776294098 /nfs/dbraw/zinc/29/40/98/776294098.db2.gz PMOUIGNLQIBTCT-KOLCDFICSA-N 0 3 280.328 -1.035 20 0 CAADHN COCCN1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)[C@H](O)C1 ZINC001090342183 776295495 /nfs/dbraw/zinc/29/54/95/776295495.db2.gz ONMQVPYGCYBUIW-WDEREUQCSA-N 0 3 296.327 -1.006 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)c1cn[nH]c(=O)c1 ZINC001090342978 776295727 /nfs/dbraw/zinc/29/57/27/776295727.db2.gz TWYPHHOVKSPRJJ-MNOVXSKESA-N 0 3 296.327 -1.270 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001090342980 776296452 /nfs/dbraw/zinc/29/64/52/776296452.db2.gz TWYPHHOVKSPRJJ-WDEREUQCSA-N 0 3 296.327 -1.270 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CCC(=O)N1 ZINC001079496200 776305206 /nfs/dbraw/zinc/30/52/06/776305206.db2.gz OZYDSZXHQUAAIG-OPRDCNLKSA-N 0 3 255.318 -1.306 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001079597286 776309668 /nfs/dbraw/zinc/30/96/68/776309668.db2.gz KRMUEMGTLITSCH-UTUOFQBUSA-N 0 3 271.361 -1.254 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CCNC(=O)C1 ZINC001079564526 776310171 /nfs/dbraw/zinc/31/01/71/776310171.db2.gz JZQMLAHSOOUYBI-OUAUKWLOSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)Cn1ncnn1 ZINC001079705183 776311009 /nfs/dbraw/zinc/31/10/09/776311009.db2.gz TVWXJGYSCNSKNT-RKDXNWHRSA-N 0 3 254.294 -1.898 20 0 CAADHN COCCN1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099703844 776311567 /nfs/dbraw/zinc/31/15/67/776311567.db2.gz CEYZMRDIBBNDQR-RYUDHWBXSA-N 0 3 299.371 -1.290 20 0 CAADHN COCCN1CC[C@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099703843 776312161 /nfs/dbraw/zinc/31/21/61/776312161.db2.gz CEYZMRDIBBNDQR-NWDGAFQWSA-N 0 3 299.371 -1.290 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@H](O)C1 ZINC001099703845 776312359 /nfs/dbraw/zinc/31/23/59/776312359.db2.gz CEYZMRDIBBNDQR-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC001079730972 776312497 /nfs/dbraw/zinc/31/24/97/776312497.db2.gz YXNWHIHWLVMGFT-RKDXNWHRSA-N 0 3 296.331 -2.194 20 0 CAADHN COCCN1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001079704049 776312840 /nfs/dbraw/zinc/31/28/40/776312840.db2.gz GMSVFVUUCGRTBV-NXEZZACHSA-N 0 3 268.321 -1.244 20 0 CAADHN COCCN1C[C@@H](C)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001079859391 776313265 /nfs/dbraw/zinc/31/32/65/776313265.db2.gz USCHIURHLQVXNO-VXGBXAGGSA-N 0 3 299.371 -1.072 20 0 CAADHN O=C(CNC(=O)C1CC1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099705285 776313880 /nfs/dbraw/zinc/31/38/80/776313880.db2.gz XYAIOBDKIHBVAZ-VXGBXAGGSA-N 0 3 299.371 -1.554 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001079859285 776314139 /nfs/dbraw/zinc/31/41/39/776314139.db2.gz OXSKWBKRKMXONE-GHMZBOCLSA-N 0 3 285.344 -1.726 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C[C@@H]1CCNC1=O ZINC001079842772 776314321 /nfs/dbraw/zinc/31/43/21/776314321.db2.gz QNWSOTNXPDIMMQ-OUAUKWLOSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@H](C(=O)N[C@@H]1CN(CCO)C[C@H]1C)N1C(=O)CCC1=O ZINC001079803029 776314872 /nfs/dbraw/zinc/31/48/72/776314872.db2.gz DNYUQKKRWOILMV-GMTAPVOTSA-N 0 3 297.355 -1.047 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C[C@H]1CCNC1=O ZINC001079842771 776314933 /nfs/dbraw/zinc/31/49/33/776314933.db2.gz QNWSOTNXPDIMMQ-GMTAPVOTSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CCCNC1=O ZINC001079904952 776316648 /nfs/dbraw/zinc/31/66/48/776316648.db2.gz ZCEUEZUUEVXLDN-OUAUKWLOSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CCCNC1=O ZINC001079904951 776316691 /nfs/dbraw/zinc/31/66/91/776316691.db2.gz ZCEUEZUUEVXLDN-GMTAPVOTSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1CCCNC1=O ZINC001080035998 776317342 /nfs/dbraw/zinc/31/73/42/776317342.db2.gz GLTMGMIZZPVEHJ-GHMZBOCLSA-N 0 3 284.360 -1.170 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001080184952 776319504 /nfs/dbraw/zinc/31/95/04/776319504.db2.gz ZELXTQZJBNSKMZ-GIPNMCIBSA-N 0 3 269.345 -1.059 20 0 CAADHN CCN1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099707550 776319839 /nfs/dbraw/zinc/31/98/39/776319839.db2.gz UXECJJIONLVABE-DTWKUNHWSA-N 0 3 259.306 -1.086 20 0 CAADHN CCN1CC[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001099707549 776319682 /nfs/dbraw/zinc/31/96/82/776319682.db2.gz UXECJJIONLVABE-BDAKNGLRSA-N 0 3 259.306 -1.086 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001080265008 776320633 /nfs/dbraw/zinc/32/06/33/776320633.db2.gz OAZXRHVTTMUZHN-BBBLOLIVSA-N 0 3 270.333 -1.561 20 0 CAADHN C[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080280903 776320654 /nfs/dbraw/zinc/32/06/54/776320654.db2.gz FGVAUPHWMHWQPD-IWSPIJDZSA-N 0 3 268.321 -1.359 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001080290344 776320680 /nfs/dbraw/zinc/32/06/80/776320680.db2.gz BLQLLKNSKIDWIN-GMTAPVOTSA-N 0 3 269.345 -1.107 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001080262442 776322215 /nfs/dbraw/zinc/32/22/15/776322215.db2.gz BPCKHNODGJMVAQ-OPRDCNLKSA-N 0 3 255.318 -1.449 20 0 CAADHN COCCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001080360664 776323180 /nfs/dbraw/zinc/32/31/80/776323180.db2.gz GKELUKYNPJTZNO-OPRDCNLKSA-N 0 3 270.333 -1.249 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001080362842 776324430 /nfs/dbraw/zinc/32/44/30/776324430.db2.gz FGEKEBAAOBIQES-IWSPIJDZSA-N 0 3 256.306 -1.903 20 0 CAADHN CCN(C(=O)C(N)=O)C1CN(C(=O)CN2CCCC2)C1 ZINC001080405189 776328299 /nfs/dbraw/zinc/32/82/99/776328299.db2.gz PYHJJKIMYGVWSG-UHFFFAOYSA-N 0 3 282.344 -1.373 20 0 CAADHN COCCN1C[C@@H](C)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001080633435 776331274 /nfs/dbraw/zinc/33/12/74/776331274.db2.gz CDRMWYUDOPKUNV-NXEZZACHSA-N 0 3 298.343 -1.379 20 0 CAADHN COCCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001080525892 776332204 /nfs/dbraw/zinc/33/22/04/776332204.db2.gz RJHSOGIRXDYHQV-KXUCPTDWSA-N 0 3 298.343 -1.333 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001080460838 776332226 /nfs/dbraw/zinc/33/22/26/776332226.db2.gz WOPSKRUONRGMGT-DOLQZWNJSA-N 0 3 255.318 -1.463 20 0 CAADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC001080750755 776336245 /nfs/dbraw/zinc/33/62/45/776336245.db2.gz OGDLGNLLQUQRRS-NXEZZACHSA-N 0 3 294.359 -1.128 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N[C@@H]2CN(CCO)C[C@H]2C)C1 ZINC001080873836 776339038 /nfs/dbraw/zinc/33/90/38/776339038.db2.gz GODVGFPFUXLJEW-RTXFEEFZSA-N 0 3 299.371 -1.338 20 0 CAADHN CNC(=O)CN1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC000095041139 776339665 /nfs/dbraw/zinc/33/96/65/776339665.db2.gz CQKYVVUFTCXYLY-UHFFFAOYSA-N 0 3 266.305 -1.255 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N[C@@H]2CN(CCO)C[C@H]2C)C1 ZINC001080873835 776340704 /nfs/dbraw/zinc/34/07/04/776340704.db2.gz GODVGFPFUXLJEW-RAIGVLPGSA-N 0 3 299.371 -1.338 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@H](O)C1 ZINC001090369190 776343197 /nfs/dbraw/zinc/34/31/97/776343197.db2.gz VWLANUAOVTWZCC-NWDGAFQWSA-N 0 3 298.387 -1.668 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CCCN1C(N)=O ZINC001081046453 776343737 /nfs/dbraw/zinc/34/37/37/776343737.db2.gz JSXMNLORIPZPOF-MXWKQRLJSA-N 0 3 284.360 -1.042 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001080966122 776343838 /nfs/dbraw/zinc/34/38/38/776343838.db2.gz LDNGMZUSPSJTNI-RTXFEEFZSA-N 0 3 299.371 -1.338 20 0 CAADHN C[C@H](O)CN1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083935569 776365901 /nfs/dbraw/zinc/36/59/01/776365901.db2.gz CGSSKHPLTKDBQL-YIZRAAEISA-N 0 3 269.305 -2.111 20 0 CAADHN CO[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC001081448715 776371002 /nfs/dbraw/zinc/37/10/02/776371002.db2.gz QHFKHODKPFQBAT-GRYCIOLGSA-N 0 3 271.361 -1.112 20 0 CAADHN CNC(=O)c1cnc(N(C)S(=O)(=O)CCN)nc1 ZINC001164287394 776372927 /nfs/dbraw/zinc/37/29/27/776372927.db2.gz PSTVTSBOJHLHCR-UHFFFAOYSA-N 0 3 273.318 -1.439 20 0 CAADHN CO[C@@H]1CN(CCCO)C[C@H]1NC(=O)Cc1nnc(C)[nH]1 ZINC001081651849 776379500 /nfs/dbraw/zinc/37/95/00/776379500.db2.gz ARDLGTLEENQRKH-GHMZBOCLSA-N 0 3 297.359 -1.147 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](OC)C1 ZINC001082021009 776400920 /nfs/dbraw/zinc/40/09/20/776400920.db2.gz OFJGLBTWCDWEOS-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CO[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1NC(=O)c1[n-]nnc1C ZINC001082014298 776401102 /nfs/dbraw/zinc/40/11/02/776401102.db2.gz TYNGSRVTMGDEHA-FXBDTBDDSA-N 0 3 283.332 -1.077 20 0 CAADHN CO[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1NC(=O)c1[n-]nnc1C ZINC001082014298 776401110 /nfs/dbraw/zinc/40/11/10/776401110.db2.gz TYNGSRVTMGDEHA-FXBDTBDDSA-N 0 3 283.332 -1.077 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001082085281 776403975 /nfs/dbraw/zinc/40/39/75/776403975.db2.gz XDQSWMBXALDIMQ-IVZWLZJFSA-N 0 3 270.333 -1.107 20 0 CAADHN CO[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1NC(=O)C(N)=O ZINC001082087719 776404172 /nfs/dbraw/zinc/40/41/72/776404172.db2.gz GYWWIDYAGHAJIG-HBNTYKKESA-N 0 3 285.344 -1.286 20 0 CAADHN CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001082085129 776404641 /nfs/dbraw/zinc/40/46/41/776404641.db2.gz SBPIZPOMOAYXHG-OPRDCNLKSA-N 0 3 270.333 -1.108 20 0 CAADHN CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001082085128 776404761 /nfs/dbraw/zinc/40/47/61/776404761.db2.gz SBPIZPOMOAYXHG-IVZWLZJFSA-N 0 3 270.333 -1.108 20 0 CAADHN CO[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1NC(=O)C(N)=O ZINC001082088900 776406214 /nfs/dbraw/zinc/40/62/14/776406214.db2.gz CUWHAMNAFRVQTD-GMTAPVOTSA-N 0 3 285.344 -1.286 20 0 CAADHN CO[C@@H]1CN(CCCO)C[C@H]1NC(=O)c1nnc[nH]1 ZINC001082250762 776409073 /nfs/dbraw/zinc/40/90/73/776409073.db2.gz UZIQYALKCVOIBT-RKDXNWHRSA-N 0 3 269.305 -1.384 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CCN(CCOC)C[C@H]1O ZINC001099737742 776409352 /nfs/dbraw/zinc/40/93/52/776409352.db2.gz DBAYCRWGBAUQIT-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CO[C@@H]1CN(C[C@H](C)O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001082316214 776411102 /nfs/dbraw/zinc/41/11/02/776411102.db2.gz OQQBWTRYORHJJG-IVZWLZJFSA-N 0 3 283.332 -1.457 20 0 CAADHN CCC(=O)NCC(=O)N[C@H]1CCN(CCOC)C[C@H]1O ZINC001099737745 776411737 /nfs/dbraw/zinc/41/17/37/776411737.db2.gz DBAYCRWGBAUQIT-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@H](O)C1 ZINC001090373396 776412749 /nfs/dbraw/zinc/41/27/49/776412749.db2.gz HOQLXLGLQCFSPO-VHSXEESVSA-N 0 3 283.332 -1.847 20 0 CAADHN O=C(NCCCn1cncn1)NC[C@H]1CNCCO1 ZINC001118861429 776412816 /nfs/dbraw/zinc/41/28/16/776412816.db2.gz HRPGPSHZJWJXJT-SNVBAGLBSA-N 0 3 268.321 -1.044 20 0 CAADHN CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)Cc1nc[nH]c1C ZINC001082345574 776412851 /nfs/dbraw/zinc/41/28/51/776412851.db2.gz QGNSDWGYVFHZKS-GHMZBOCLSA-N 0 3 295.343 -1.439 20 0 CAADHN CO[C@@H]1CN(CCO)C[C@H]1NC(=O)Cn1ccnc1C ZINC001082372164 776412972 /nfs/dbraw/zinc/41/29/72/776412972.db2.gz VNFFVKBXMFAHQP-VXGBXAGGSA-N 0 3 282.344 -1.001 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090373395 776412994 /nfs/dbraw/zinc/41/29/94/776412994.db2.gz HOQLXLGLQCFSPO-UWVGGRQHSA-N 0 3 283.332 -1.847 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001090373397 776413001 /nfs/dbraw/zinc/41/30/01/776413001.db2.gz HOQLXLGLQCFSPO-ZJUUUORDSA-N 0 3 283.332 -1.847 20 0 CAADHN COCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001082404388 776414079 /nfs/dbraw/zinc/41/40/79/776414079.db2.gz JMZKYUZHHYOTEY-KXUCPTDWSA-N 0 3 255.318 -1.042 20 0 CAADHN COCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001082404389 776414298 /nfs/dbraw/zinc/41/42/98/776414298.db2.gz JMZKYUZHHYOTEY-OPRDCNLKSA-N 0 3 255.318 -1.042 20 0 CAADHN OC[C@@H]1CN(c2cc3c(nn2)CCNC3)C[C@@H]1O ZINC001164545597 776414421 /nfs/dbraw/zinc/41/44/21/776414421.db2.gz UNZQQPIIYJEOKH-ONGXEEELSA-N 0 3 250.302 -1.088 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082419788 776414581 /nfs/dbraw/zinc/41/45/81/776414581.db2.gz VPYQBPIUHSUCRC-OPRDCNLKSA-N 0 3 293.331 -2.002 20 0 CAADHN OC[C@H]1CN(c2cc3c(nn2)CCNC3)C[C@@H]1O ZINC001164545595 776414616 /nfs/dbraw/zinc/41/46/16/776414616.db2.gz UNZQQPIIYJEOKH-KOLCDFICSA-N 0 3 250.302 -1.088 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C)C(N)=O ZINC001082483819 776415477 /nfs/dbraw/zinc/41/54/77/776415477.db2.gz MJKHYXCJEJVSRD-HRDYMLBCSA-N 0 3 296.331 -1.706 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCOC2)C[C@H]1NCC(N)=O ZINC001082444626 776415520 /nfs/dbraw/zinc/41/55/20/776415520.db2.gz QGVPKQMHEKRNOD-KXUCPTDWSA-N 0 3 255.318 -1.055 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1N[C@@H]1CCNC1=O ZINC001082454060 776415584 /nfs/dbraw/zinc/41/55/84/776415584.db2.gz QOFLQCDFIIEJKD-IWSPIJDZSA-N 0 3 268.317 -1.813 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C)C(N)=O ZINC001082484386 776415604 /nfs/dbraw/zinc/41/56/04/776415604.db2.gz CGVWJYLLJHGHFL-NQMVMOMDSA-N 0 3 294.359 -1.074 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1C)C(N)=O ZINC001082441121 776415618 /nfs/dbraw/zinc/41/56/18/776415618.db2.gz KGWCXTGKOQGLCX-HRDYMLBCSA-N 0 3 291.373 -1.659 20 0 CAADHN COCCOCC(=O)N[C@@H]1CCN(CCOC)C[C@H]1O ZINC001099746237 776415662 /nfs/dbraw/zinc/41/56/62/776415662.db2.gz FLSPBUDWULEILI-VXGBXAGGSA-N 0 3 290.360 -1.153 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1NCC(N)=O ZINC001082430763 776415782 /nfs/dbraw/zinc/41/57/82/776415782.db2.gz CGSVZNTYFDYRBX-BBBLOLIVSA-N 0 3 271.317 -1.676 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@H]1C)C(N)=O ZINC001082484385 776415882 /nfs/dbraw/zinc/41/58/82/776415882.db2.gz CGVWJYLLJHGHFL-KHQFGBGNSA-N 0 3 294.359 -1.074 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C)C(N)=O ZINC001082481239 776415914 /nfs/dbraw/zinc/41/59/14/776415914.db2.gz MIJDFUXJUGJYQB-GRYCIOLGSA-N 0 3 298.387 -1.371 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C)C(N)=O ZINC001082496368 776416321 /nfs/dbraw/zinc/41/63/21/776416321.db2.gz TXXCEUCWBOESQT-HRDYMLBCSA-N 0 3 280.332 -1.261 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@H]1C)C(N)=O ZINC001082487669 776416677 /nfs/dbraw/zinc/41/66/77/776416677.db2.gz IUSMDGTZMWRSDV-IWSPIJDZSA-N 0 3 296.327 -1.098 20 0 CAADHN CCC(=O)NCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099747409 776416747 /nfs/dbraw/zinc/41/67/47/776416747.db2.gz XGEQHXBLAGRTEB-WDEREUQCSA-N 0 3 287.360 -1.554 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1N[C@H]1CCNC1=O ZINC001082500399 776416785 /nfs/dbraw/zinc/41/67/85/776416785.db2.gz KHPBJIGLEWTZJT-KXUCPTDWSA-N 0 3 292.343 -1.246 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082535142 776416848 /nfs/dbraw/zinc/41/68/48/776416848.db2.gz YIVRIJZNGPZHJK-GMTAPVOTSA-N 0 3 292.343 -1.397 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C)C(N)=O ZINC001082498966 776416865 /nfs/dbraw/zinc/41/68/65/776416865.db2.gz DYOBQWWWFKHEKQ-HRDYMLBCSA-N 0 3 280.332 -1.261 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C)C(N)=O ZINC001082500051 776417107 /nfs/dbraw/zinc/41/71/07/776417107.db2.gz XPHMJEZADJRWHU-IWSPIJDZSA-N 0 3 280.332 -1.261 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C[C@H]1NCC(N)=O ZINC001082542600 776417155 /nfs/dbraw/zinc/41/71/55/776417155.db2.gz OCXLHKBLUQOGND-OPRDCNLKSA-N 0 3 282.344 -1.614 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C[C@H]1NCC(N)=O ZINC001082517367 776417220 /nfs/dbraw/zinc/41/72/20/776417220.db2.gz JQMHUTPGBZUXSP-GWOFURMSSA-N 0 3 296.371 -1.177 20 0 CAADHN C[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1NCC(N)=O ZINC001082508221 776417508 /nfs/dbraw/zinc/41/75/08/776417508.db2.gz USOFERKPFYBSRJ-OUAUKWLOSA-N 0 3 285.344 -1.286 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1NCC(N)=O ZINC001082497173 776417581 /nfs/dbraw/zinc/41/75/81/776417581.db2.gz ZOUHTYKAFMSQIG-PRJMDXOYSA-N 0 3 270.289 -1.983 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082498691 776417666 /nfs/dbraw/zinc/41/76/66/776417666.db2.gz OKGSCJDVJNFXHW-FXPVBKGRSA-N 0 3 257.334 -1.075 20 0 CAADHN Cn1ncc(CCC(=O)NCCN2CC[C@H](O)C2)n1 ZINC001118962269 776418979 /nfs/dbraw/zinc/41/89/79/776418979.db2.gz GXPXYXLESGZHAK-NSHDSACASA-N 0 3 267.333 -1.070 20 0 CAADHN C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1N[C@H]1CCNC1=O ZINC001082573991 776418991 /nfs/dbraw/zinc/41/89/91/776418991.db2.gz MZTPLIHVGPDTKF-KXUCPTDWSA-N 0 3 296.371 -1.177 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1NCCF ZINC001082567162 776419241 /nfs/dbraw/zinc/41/92/41/776419241.db2.gz MEANZBUVMMNVIR-HRDYMLBCSA-N 0 3 286.307 -1.010 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)N2C)C[C@H]1NCC(N)=O ZINC001082680446 776419664 /nfs/dbraw/zinc/41/96/64/776419664.db2.gz JFKQYTHVGLCUBC-OUAUKWLOSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1NCC(N)=O ZINC001082688765 776419888 /nfs/dbraw/zinc/41/98/88/776419888.db2.gz MLACLSQKKAKZTO-BBBLOLIVSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1N[C@H]1CCNC1=O ZINC001082691303 776419924 /nfs/dbraw/zinc/41/99/24/776419924.db2.gz KABATHOXFFXPCR-HRDYMLBCSA-N 0 3 293.331 -1.851 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C)C(N)=O ZINC001082691288 776420370 /nfs/dbraw/zinc/42/03/70/776420370.db2.gz IRMKTKZBPWRSBY-BWZBUEFSSA-N 0 3 281.320 -1.866 20 0 CAADHN CC[C@@H](N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(N)=O ZINC001082716803 776421184 /nfs/dbraw/zinc/42/11/84/776421184.db2.gz PKGMOJAHYNAIKA-BWZBUEFSSA-N 0 3 256.306 -1.828 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C)C(N)=O ZINC001082805685 776421219 /nfs/dbraw/zinc/42/12/19/776421219.db2.gz WJFPIAIFZJBWIB-NQMVMOMDSA-N 0 3 280.332 -1.261 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1NCC(N)=O ZINC001082714848 776421319 /nfs/dbraw/zinc/42/13/19/776421319.db2.gz DAERZWLMYOSFBG-GJMOJQLCSA-N 0 3 269.305 -2.410 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1N[C@H]1CCC(=O)NC1=O ZINC001082716297 776421344 /nfs/dbraw/zinc/42/13/44/776421344.db2.gz ZIFISMCPSVNCIM-GJMOJQLCSA-N 0 3 282.300 -2.287 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1N[C@@H]1CCC(=O)NC1=O ZINC001082716296 776421376 /nfs/dbraw/zinc/42/13/76/776421376.db2.gz ZIFISMCPSVNCIM-BWZBUEFSSA-N 0 3 282.300 -2.287 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1N[C@H]1CCCNC1=O ZINC001082716205 776421661 /nfs/dbraw/zinc/42/16/61/776421661.db2.gz ROXOKYGJLBYSBS-HRDYMLBCSA-N 0 3 268.317 -1.813 20 0 CAADHN CC[C@H](N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C)C(N)=O ZINC001082716804 776421681 /nfs/dbraw/zinc/42/16/81/776421681.db2.gz PKGMOJAHYNAIKA-GJMOJQLCSA-N 0 3 256.306 -1.828 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1NCC(N)=O ZINC001082683724 776421702 /nfs/dbraw/zinc/42/17/02/776421702.db2.gz UZYRTQKJFGYTHW-IWSPIJDZSA-N 0 3 268.317 -1.956 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1NCC(N)=O ZINC001082714847 776421714 /nfs/dbraw/zinc/42/17/14/776421714.db2.gz DAERZWLMYOSFBG-BWZBUEFSSA-N 0 3 269.305 -2.410 20 0 CAADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1=O ZINC001082716897 776421812 /nfs/dbraw/zinc/42/18/12/776421812.db2.gz XJIGZSNZQHCKFZ-OPRDCNLKSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082805485 776422003 /nfs/dbraw/zinc/42/20/03/776422003.db2.gz BMHMATZAWYHAKJ-FXPVBKGRSA-N 0 3 292.343 -1.246 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1NCC(N)=O ZINC001082746699 776422107 /nfs/dbraw/zinc/42/21/07/776422107.db2.gz WOAAEANUWHNXSW-CHWFTXMASA-N 0 3 296.371 -1.190 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082716812 776422195 /nfs/dbraw/zinc/42/21/95/776422195.db2.gz QDFFCLLVZBXXFH-IWSPIJDZSA-N 0 3 268.317 -1.861 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C)C(N)=O ZINC001082717162 776422246 /nfs/dbraw/zinc/42/22/46/776422246.db2.gz WFDKCHANRRBMAP-HRDYMLBCSA-N 0 3 282.344 -1.438 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1N[C@@H]1CCCNC1=O ZINC001082716206 776422333 /nfs/dbraw/zinc/42/23/33/776422333.db2.gz ROXOKYGJLBYSBS-IWSPIJDZSA-N 0 3 268.317 -1.813 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)C1 ZINC001082850501 776422814 /nfs/dbraw/zinc/42/28/14/776422814.db2.gz XRFKOIAZGXXJHF-GMTAPVOTSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082815174 776423125 /nfs/dbraw/zinc/42/31/25/776423125.db2.gz WBJRGEBWSOOJBG-IWSPIJDZSA-N 0 3 278.316 -1.257 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082873187 776423837 /nfs/dbraw/zinc/42/38/37/776423837.db2.gz ZJVQWLDSRRSNCJ-JLLWLGSASA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(N)=O)C[C@H]1NCC(N)=O ZINC001082959809 776426591 /nfs/dbraw/zinc/42/65/91/776426591.db2.gz MXBVOUWOTCKRMB-BBBLOLIVSA-N 0 3 297.359 -1.549 20 0 CAADHN COCCCNC(=O)CNC[C@@H]1CN(C(C)=O)CCO1 ZINC001273208766 776426727 /nfs/dbraw/zinc/42/67/27/776426727.db2.gz SIMGBJNHAUVRRE-GFCCVEGCSA-N 0 3 287.360 -1.024 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)C1 ZINC001082933714 776426792 /nfs/dbraw/zinc/42/67/92/776426792.db2.gz GTCPWLIZFZABRP-IJLUTSLNSA-N 0 3 298.387 -1.371 20 0 CAADHN CCCN1C[C@H]2OCCN(C(=O)Cn3cnnn3)[C@H]2C1 ZINC001082996074 776428154 /nfs/dbraw/zinc/42/81/54/776428154.db2.gz LWJGMCAAWDPHQZ-WDEREUQCSA-N 0 3 280.332 -1.005 20 0 CAADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)N1CCOCC1 ZINC001082964652 776428552 /nfs/dbraw/zinc/42/85/52/776428552.db2.gz OPNFJLHSHGAJGI-GRYCIOLGSA-N 0 3 298.387 -1.371 20 0 CAADHN NC(=O)CC(=O)N1CCO[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]21 ZINC001083029881 776429933 /nfs/dbraw/zinc/42/99/33/776429933.db2.gz KTWFCYCKAVFLKN-GRYCIOLGSA-N 0 3 297.355 -1.190 20 0 CAADHN O=C(CCc1nc[nH]n1)N1CCO[C@@H]2CN(CCO)C[C@@H]21 ZINC001083041422 776431142 /nfs/dbraw/zinc/43/11/42/776431142.db2.gz IERFYYNMTXRRDX-WDEREUQCSA-N 0 3 295.343 -1.359 20 0 CAADHN CC[C@H](C(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21)N(C)C ZINC001083120043 776432653 /nfs/dbraw/zinc/43/26/53/776432653.db2.gz WNUMEOLDWRGNPT-GRYCIOLGSA-N 0 3 298.387 -1.277 20 0 CAADHN CCCN1C[C@H]2OCCN(C(=O)Cn3ncnn3)[C@H]2C1 ZINC001083083173 776433319 /nfs/dbraw/zinc/43/33/19/776433319.db2.gz HNXHSQMLQNKXND-WDEREUQCSA-N 0 3 280.332 -1.005 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H]2CN(C[C@@H]3CCCOC3)C[C@@H]21 ZINC001083179389 776435748 /nfs/dbraw/zinc/43/57/48/776435748.db2.gz VGPORAAAQBMIJQ-SDDRHHMPSA-N 0 3 297.355 -1.190 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC001083180220 776436489 /nfs/dbraw/zinc/43/64/89/776436489.db2.gz XSCRXQYACHDCDN-GRYCIOLGSA-N 0 3 294.355 -1.011 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001083948097 776438343 /nfs/dbraw/zinc/43/83/43/776438343.db2.gz NNESUUFAYQOGAP-ZJUUUORDSA-N 0 3 298.343 -1.550 20 0 CAADHN CNC(=O)CN1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](O)C1 ZINC001083997938 776439408 /nfs/dbraw/zinc/43/94/08/776439408.db2.gz QPKYNXLMEFHLQE-MNOVXSKESA-N 0 3 295.343 -1.832 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O ZINC001083998214 776439670 /nfs/dbraw/zinc/43/96/70/776439670.db2.gz WRWIYRMLVGACGQ-GDPRMGEGSA-N 0 3 295.343 -1.704 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)[C@@H]1CCC(=O)N1 ZINC001083969688 776439755 /nfs/dbraw/zinc/43/97/55/776439755.db2.gz PQYSAPKBHWAEOP-AXFHLTTASA-N 0 3 267.329 -1.164 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033770 776440423 /nfs/dbraw/zinc/44/04/23/776440423.db2.gz DWXUBRPYLLDGBU-ZJUUUORDSA-N 0 3 253.306 -1.152 20 0 CAADHN Cn1nc(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)ccc1=O ZINC001084028437 776440768 /nfs/dbraw/zinc/44/07/68/776440768.db2.gz YFXXQVMMIFWDIX-NEPJUHHUSA-N 0 3 292.339 -1.035 20 0 CAADHN CCCN1C[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001084030358 776440843 /nfs/dbraw/zinc/44/08/43/776440843.db2.gz NQHIMEKUMIVCMH-MNOVXSKESA-N 0 3 280.328 -1.035 20 0 CAADHN CCCN1C[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001084013774 776442128 /nfs/dbraw/zinc/44/21/28/776442128.db2.gz VLQISRQDPKYZCB-MNOVXSKESA-N 0 3 297.359 -1.538 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](O)C1 ZINC001084051663 776443633 /nfs/dbraw/zinc/44/36/33/776443633.db2.gz XOAASPKSORTYMP-ZJUUUORDSA-N 0 3 296.327 -1.331 20 0 CAADHN CCN1C[C@@H](NC(=O)[C@H]2CN(CC)CCO2)[C@@H](O)C1 ZINC001084078634 776444065 /nfs/dbraw/zinc/44/40/65/776444065.db2.gz BETIWNMTJIAHMI-GRYCIOLGSA-N 0 3 271.361 -1.112 20 0 CAADHN Cc1nccn1CC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@@H]1O ZINC001084059548 776444923 /nfs/dbraw/zinc/44/49/23/776444923.db2.gz NMEUBSKQLSXBOH-JLLWLGSASA-N 0 3 282.344 -1.266 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001084073420 776447127 /nfs/dbraw/zinc/44/71/27/776447127.db2.gz UHEMBNNGOURGAY-AGIUHOORSA-N 0 3 299.371 -1.197 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001084097478 776448791 /nfs/dbraw/zinc/44/87/91/776448791.db2.gz WOQLGIGKSGUBKM-KOLCDFICSA-N 0 3 282.344 -1.093 20 0 CAADHN C[C@@H](O)CN1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084176774 776449845 /nfs/dbraw/zinc/44/98/45/776449845.db2.gz GQHQIHJUCJOZEN-GMTAPVOTSA-N 0 3 280.332 -1.413 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001084129764 776450014 /nfs/dbraw/zinc/45/00/14/776450014.db2.gz YWCZZJNDFQKGAG-MXWKQRLJSA-N 0 3 295.339 -1.390 20 0 CAADHN O=C(Cn1cnnn1)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084176780 776450084 /nfs/dbraw/zinc/45/00/84/776450084.db2.gz GUAFJCTZQCJCSA-GHMZBOCLSA-N 0 3 280.332 -1.412 20 0 CAADHN C[C@H](O)CN1CC[C@@H]2CN(C(=O)Cn3cnnn3)[C@@H]2C1 ZINC001084176775 776450138 /nfs/dbraw/zinc/45/01/38/776450138.db2.gz GQHQIHJUCJOZEN-HBNTYKKESA-N 0 3 280.332 -1.413 20 0 CAADHN C[C@H](O)CN1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001084244246 776450493 /nfs/dbraw/zinc/45/04/93/776450493.db2.gz HGJVGWRZRJQBRL-IVZWLZJFSA-N 0 3 255.318 -1.225 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001084129091 776450749 /nfs/dbraw/zinc/45/07/49/776450749.db2.gz GILSOHCLASYHIN-AEJSXWLSSA-N 0 3 283.328 -1.391 20 0 CAADHN C[C@@H](O)CN1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084294560 776452329 /nfs/dbraw/zinc/45/23/29/776452329.db2.gz WLTUZIVTTHAYDX-GMTAPVOTSA-N 0 3 295.343 -1.103 20 0 CAADHN O=C(CNS(=O)(=O)C1CNC1)NC1CCCC1 ZINC000923600507 776484024 /nfs/dbraw/zinc/48/40/24/776484024.db2.gz WOJRYXHHUQKHMV-UHFFFAOYSA-N 0 3 261.347 -1.064 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001084725171 776459158 /nfs/dbraw/zinc/45/91/58/776459158.db2.gz MZGNDNCMDBUBIF-NXEZZACHSA-N 0 3 296.327 -1.937 20 0 CAADHN NC(=O)CN1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC001084687056 776459492 /nfs/dbraw/zinc/45/94/92/776459492.db2.gz ITAVXVNYYOOQKG-MWLCHTKSSA-N 0 3 277.328 -1.030 20 0 CAADHN CCOCCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001273235906 776460809 /nfs/dbraw/zinc/46/08/09/776460809.db2.gz DXZQZBGWUURQCL-SNVBAGLBSA-N 0 3 273.333 -1.285 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001084766281 776461238 /nfs/dbraw/zinc/46/12/38/776461238.db2.gz QRMMRRPOGDYUNR-IVZWLZJFSA-N 0 3 292.343 -1.246 20 0 CAADHN CCN1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)[C@@H]2C1 ZINC001084852764 776462491 /nfs/dbraw/zinc/46/24/91/776462491.db2.gz NJCBAFNAJWJBBC-MWLCHTKSSA-N 0 3 292.343 -1.070 20 0 CAADHN CCCOCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001273236008 776462511 /nfs/dbraw/zinc/46/25/11/776462511.db2.gz HCOSRYPFJWHLPW-SNVBAGLBSA-N 0 3 273.333 -1.285 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001084874478 776462705 /nfs/dbraw/zinc/46/27/05/776462705.db2.gz VRZZPHCHBGYGON-GMTAPVOTSA-N 0 3 295.339 -1.436 20 0 CAADHN CCCOCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001273236007 776462819 /nfs/dbraw/zinc/46/28/19/776462819.db2.gz HCOSRYPFJWHLPW-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001099860635 776464387 /nfs/dbraw/zinc/46/43/87/776464387.db2.gz FPBCUTXEGDTZPW-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN CN(C)C1(C(=O)N[C@H]2CCN(CC(N)=O)C[C@H]2O)CCC1 ZINC001099871691 776465623 /nfs/dbraw/zinc/46/56/23/776465623.db2.gz JGUYKBCHXSGAGO-WDEREUQCSA-N 0 3 298.387 -1.493 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN(C)C(=O)COC)[C@@H](O)C1 ZINC001099863781 776465771 /nfs/dbraw/zinc/46/57/71/776465771.db2.gz OCPAOIDHMKEXPQ-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN COC[C@H](CCNS(=O)(=O)C1CNC1)OC ZINC000822164003 776467293 /nfs/dbraw/zinc/46/72/93/776467293.db2.gz AFLVQXKUESOESC-QMMMGPOBSA-N 0 3 252.336 -1.071 20 0 CAADHN C[C@](Cn1cccn1)(NC[C@H]1CNCCO1)C(N)=O ZINC001120266979 776468489 /nfs/dbraw/zinc/46/84/89/776468489.db2.gz XKHXDSKGDOARLC-ZYHUDNBSSA-N 0 3 267.333 -1.295 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001085139680 776468539 /nfs/dbraw/zinc/46/85/39/776468539.db2.gz WWNGIMMBDCBSCJ-MXWKQRLJSA-N 0 3 285.344 -1.096 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CCN(C)C1=O ZINC000823625297 776469054 /nfs/dbraw/zinc/46/90/54/776469054.db2.gz BDRZWYPUHXPTKB-JTQLQIEISA-N 0 3 257.334 -1.153 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CN=NC1=O ZINC001085176513 776469093 /nfs/dbraw/zinc/46/90/93/776469093.db2.gz KKACDHVCKFSQLX-RKDXNWHRSA-N 0 3 296.331 -1.514 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001273276716 776469861 /nfs/dbraw/zinc/46/98/61/776469861.db2.gz LOTFLAHIYXQJSQ-MRVPVSSYSA-N 0 3 286.332 -2.200 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001273276717 776469873 /nfs/dbraw/zinc/46/98/73/776469873.db2.gz LOTFLAHIYXQJSQ-QMMMGPOBSA-N 0 3 286.332 -2.200 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)nn1 ZINC001085190320 776470722 /nfs/dbraw/zinc/47/07/22/776470722.db2.gz UWDGCJMFLRSOCN-RKDXNWHRSA-N 0 3 280.332 -1.069 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)c1cocn1 ZINC001273293057 776471216 /nfs/dbraw/zinc/47/12/16/776471216.db2.gz HBULSKHIXFIPEO-UHFFFAOYSA-N 0 3 283.288 -1.079 20 0 CAADHN NC(C(=O)N[C@@H]1CCC(=O)NC1=O)C(F)(F)F ZINC000705245952 776476688 /nfs/dbraw/zinc/47/66/88/776476688.db2.gz XUGUCNQPZZMWMA-WUJLRWPWSA-N 0 3 253.180 -1.203 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001273308022 776477976 /nfs/dbraw/zinc/47/79/76/776477976.db2.gz GQKNDICDKCRGHB-QMMMGPOBSA-N 0 3 272.305 -2.575 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC1=O ZINC001085216550 776479048 /nfs/dbraw/zinc/47/90/48/776479048.db2.gz UIZVSEGDBYQZAQ-GMTAPVOTSA-N 0 3 296.371 -1.033 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)CC1=O ZINC001085216551 776479394 /nfs/dbraw/zinc/47/93/94/776479394.db2.gz UIZVSEGDBYQZAQ-HBNTYKKESA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O)C(N)=O ZINC001085317623 776480152 /nfs/dbraw/zinc/48/01/52/776480152.db2.gz HZPNKXKFBXSQNG-IWSPIJDZSA-N 0 3 270.333 -1.247 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001085316031 776480266 /nfs/dbraw/zinc/48/02/66/776480266.db2.gz RHQZKNDICIXCST-IWSPIJDZSA-N 0 3 283.332 -1.830 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1N[C@@H]1CCNC1=O ZINC001085317307 776480602 /nfs/dbraw/zinc/48/06/02/776480602.db2.gz TYHPPAOUQIXURV-IWSPIJDZSA-N 0 3 268.317 -1.623 20 0 CAADHN O=S(=O)(N1CCNCC1)N1CCNC[C@@H]1C(F)F ZINC000825678552 776480649 /nfs/dbraw/zinc/48/06/49/776480649.db2.gz FZGHHZRKRJQTLA-MRVPVSSYSA-N 0 3 284.332 -1.325 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)NC1=O ZINC001085297785 776480705 /nfs/dbraw/zinc/48/07/05/776480705.db2.gz SDQNYPODXUSVDM-BBBLOLIVSA-N 0 3 297.359 -1.488 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001085316030 776480751 /nfs/dbraw/zinc/48/07/51/776480751.db2.gz RHQZKNDICIXCST-HLTSFMKQSA-N 0 3 283.332 -1.830 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(=O)N1CCC1 ZINC001085316586 776480776 /nfs/dbraw/zinc/48/07/76/776480776.db2.gz NFYKLQWTXUQGNY-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN O=S(=O)(N1CCNCC1)N1CCNC[C@H]1C(F)F ZINC000825678559 776480855 /nfs/dbraw/zinc/48/08/55/776480855.db2.gz FZGHHZRKRJQTLA-QMMMGPOBSA-N 0 3 284.332 -1.325 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)n1 ZINC001085300185 776480862 /nfs/dbraw/zinc/48/08/62/776480862.db2.gz IRGIUBXCNHGIRN-HTQZYQBOSA-N 0 3 281.320 -1.674 20 0 CAADHN C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O)C(N)=O ZINC001085317911 776481668 /nfs/dbraw/zinc/48/16/68/776481668.db2.gz WKFLJWMZQFFENO-BWZBUEFSSA-N 0 3 256.306 -1.638 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cncn1 ZINC001085415388 776483622 /nfs/dbraw/zinc/48/36/22/776483622.db2.gz SQMHCDWFCXVZIO-NXEZZACHSA-N 0 3 280.332 -1.220 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099974833 776483655 /nfs/dbraw/zinc/48/36/55/776483655.db2.gz WGEFWKJJGZMCRS-RKDXNWHRSA-N 0 3 259.306 -1.940 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099974826 776484003 /nfs/dbraw/zinc/48/40/03/776484003.db2.gz WGEFWKJJGZMCRS-DTWKUNHWSA-N 0 3 259.306 -1.940 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099981970 776485199 /nfs/dbraw/zinc/48/51/99/776485199.db2.gz WFAYWDOEFRIQDW-QWRGUYRKSA-N 0 3 299.371 -1.160 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099981971 776485277 /nfs/dbraw/zinc/48/52/77/776485277.db2.gz WFAYWDOEFRIQDW-WDEREUQCSA-N 0 3 299.371 -1.160 20 0 CAADHN NC(=O)NCCC(=O)N1CCO[C@H](CNCCF)C1 ZINC001273358552 776492009 /nfs/dbraw/zinc/49/20/09/776492009.db2.gz HHQOOXBNFUDRAX-SECBINFHSA-N 0 3 276.312 -1.169 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CO[C@@H]1CCOC1 ZINC001273373823 776495326 /nfs/dbraw/zinc/49/53/26/776495326.db2.gz FHMGPLPBHDRNOJ-SNVBAGLBSA-N 0 3 273.333 -1.285 20 0 CAADHN CCN(C)C(=O)CNCCN(CC)C(=O)Cn1ncnn1 ZINC001273381137 776496671 /nfs/dbraw/zinc/49/66/71/776496671.db2.gz ASEQNVKDTBQZIP-UHFFFAOYSA-N 0 3 297.363 -1.411 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)[C@@H]2C1 ZINC001273380119 776496938 /nfs/dbraw/zinc/49/69/38/776496938.db2.gz BGJKSTDOBJEUKO-GXSJLCMTSA-N 0 3 292.339 -1.140 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(=O)n(C)c(=O)n1C)C2 ZINC001273380771 776497023 /nfs/dbraw/zinc/49/70/23/776497023.db2.gz OTYWEVWAHKIQJB-ZJUUUORDSA-N 0 3 292.339 -1.140 20 0 CAADHN C[C@]1(CNC(=O)CCc2cnn[nH]2)CN(CCO)CCO1 ZINC001108224694 776497309 /nfs/dbraw/zinc/49/73/09/776497309.db2.gz POADVPFZMRLBNP-ZDUSSCGKSA-N 0 3 297.359 -1.063 20 0 CAADHN Cn1cncc1C(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090403300 776498839 /nfs/dbraw/zinc/49/88/39/776498839.db2.gz LBUPHOPPIFBIST-ZYHUDNBSSA-N 0 3 282.344 -1.033 20 0 CAADHN NC(=O)CN[C@H]1C[C@@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001086095703 776500119 /nfs/dbraw/zinc/50/01/19/776500119.db2.gz PQPABLUEWFCOMI-OTSSQURYSA-N 0 3 289.357 -1.999 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)CC1 ZINC001100033857 776501425 /nfs/dbraw/zinc/50/14/25/776501425.db2.gz LXFMLPJZTCXJIY-WDEREUQCSA-N 0 3 299.371 -1.554 20 0 CAADHN CN1CCN(C)[C@H](CNS(=O)(=O)C2CNC2)C1 ZINC000405094352 776501519 /nfs/dbraw/zinc/50/15/19/776501519.db2.gz IOODHFISECNHJK-SECBINFHSA-N 0 3 262.379 -1.877 20 0 CAADHN Cn1ccc(=O)c(C(=O)NC[C@H]2C[C@@H](NCC(N)=O)C2)c1 ZINC001086144920 776501542 /nfs/dbraw/zinc/50/15/42/776501542.db2.gz MLSZGXMVYXIUHE-AOOOYVTPSA-N 0 3 292.339 -1.031 20 0 CAADHN O=C(N[C@@H]1CCN(CCOCCO)C[C@H]1O)c1nnc[nH]1 ZINC001100039020 776502402 /nfs/dbraw/zinc/50/24/02/776502402.db2.gz OGMWRENROPGRAE-NXEZZACHSA-N 0 3 299.331 -2.021 20 0 CAADHN O=C(CCn1cnnn1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001100045375 776503144 /nfs/dbraw/zinc/50/31/44/776503144.db2.gz BBEYFDWCJCOZKF-QWRGUYRKSA-N 0 3 298.347 -2.003 20 0 CAADHN CC(=O)NC[C@H]1C[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001086288983 776506452 /nfs/dbraw/zinc/50/64/52/776506452.db2.gz WTCDOGDPQJSGAC-XYPYZODXSA-N 0 3 282.344 -1.551 20 0 CAADHN NC(=O)c1ccnc([N-][C@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155570462 776506483 /nfs/dbraw/zinc/50/64/83/776506483.db2.gz MYZHMWVFFRDKCP-WRWORJQWSA-N 0 3 262.273 -1.435 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001273420450 776506663 /nfs/dbraw/zinc/50/66/63/776506663.db2.gz NMWPWYIEKTZNRC-JTQLQIEISA-N 0 3 284.360 -1.174 20 0 CAADHN CCN1CC[C@H](NC(=O)COCc2nncn2C)[C@H](O)C1 ZINC001100058497 776506805 /nfs/dbraw/zinc/50/68/05/776506805.db2.gz UKEJWUNZZJNPDL-WDEREUQCSA-N 0 3 297.359 -1.097 20 0 CAADHN CCN1CC[C@H](NC(=O)CS(=O)(=O)NC)[C@@H](O)C1 ZINC001100117529 776513377 /nfs/dbraw/zinc/51/33/77/776513377.db2.gz KHCHMYLDBHHQBN-IUCAKERBSA-N 0 3 279.362 -1.893 20 0 CAADHN CCN1CC[C@@H](NC(=O)CS(=O)(=O)NC)[C@H](O)C1 ZINC001100117530 776513395 /nfs/dbraw/zinc/51/33/95/776513395.db2.gz KHCHMYLDBHHQBN-RKDXNWHRSA-N 0 3 279.362 -1.893 20 0 CAADHN Cn1cnnc1CNCCCNC(=O)c1nnc[nH]1 ZINC001168789168 776514946 /nfs/dbraw/zinc/51/49/46/776514946.db2.gz KBKMTSIJVAQSTO-UHFFFAOYSA-N 0 3 264.293 -1.157 20 0 CAADHN C[C@@]1(CNC(=O)Cc2nnc[nH]2)CN(CCCO)CCO1 ZINC001108334455 776515055 /nfs/dbraw/zinc/51/50/55/776515055.db2.gz LLDNRZRMAOEPDC-CYBMUJFWSA-N 0 3 297.359 -1.063 20 0 CAADHN C[C@@H](O)CN1CCO[C@](C)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001108330957 776515250 /nfs/dbraw/zinc/51/52/50/776515250.db2.gz IXQMJSYTWRAMHV-ZWNOBZJWSA-N 0 3 297.359 -1.065 20 0 CAADHN CN(c1ncccc1S(N)(=O)=O)S(=O)(=O)CCN ZINC001156231820 776518375 /nfs/dbraw/zinc/51/83/75/776518375.db2.gz NWVQUUZPQAYSKZ-UHFFFAOYSA-N 0 3 294.358 -1.546 20 0 CAADHN CN(c1ccc(C(N)=O)nn1)S(=O)(=O)CCN ZINC001156232245 776518450 /nfs/dbraw/zinc/51/84/50/776518450.db2.gz SXGROSJIXLIGFK-UHFFFAOYSA-N 0 3 259.291 -1.700 20 0 CAADHN CCOC(=O)[C@H]1CC[C@@H](NC(CO)(CO)CO)CO1 ZINC001169317656 776522913 /nfs/dbraw/zinc/52/29/13/776522913.db2.gz CABVTVLBTTVJSL-NXEZZACHSA-N 0 3 277.317 -1.598 20 0 CAADHN CCOC(=O)[C@H]1CC[C@H](NC(CO)(CO)CO)CO1 ZINC001169317672 776523691 /nfs/dbraw/zinc/52/36/91/776523691.db2.gz CABVTVLBTTVJSL-VHSXEESVSA-N 0 3 277.317 -1.598 20 0 CAADHN COC(=O)c1c[n-]c2nc(N[C@@H](CO)C(N)=O)[nH+]cc21 ZINC001169325263 776524939 /nfs/dbraw/zinc/52/49/39/776524939.db2.gz DNLXVWRLFXFMLS-ZETCQYMHSA-N 0 3 279.256 -1.046 20 0 CAADHN Cc1nc(N[C@H](CO)C(N)=O)cc(N2CCOCC2)n1 ZINC001169323944 776524948 /nfs/dbraw/zinc/52/49/48/776524948.db2.gz LMBBWBUPMQHEIZ-SECBINFHSA-N 0 3 281.316 -1.120 20 0 CAADHN CCOC(=O)[C@H]1CC[C@H](NS(=O)(=O)CCN)CO1 ZINC001169332596 776526995 /nfs/dbraw/zinc/52/69/95/776526995.db2.gz ZOENWDKJCKCKQM-DTWKUNHWSA-N 0 3 280.346 -1.025 20 0 CAADHN Cn1nncc1CNCCCNC(=O)C(=O)NCC1CC1 ZINC001169453637 776528440 /nfs/dbraw/zinc/52/84/40/776528440.db2.gz QNNWMMAKHIJCLU-UHFFFAOYSA-N 0 3 294.359 -1.063 20 0 CAADHN CCOC(=O)[C@@H]1CC[C@H](NCC(=O)NCC(N)=O)CO1 ZINC001169365728 776528654 /nfs/dbraw/zinc/52/86/54/776528654.db2.gz GBIFKFUUEMDAES-IUCAKERBSA-N 0 3 287.316 -1.712 20 0 CAADHN CCOC(=O)CNC(=O)CN[C@H]1CCN(C(C)=O)C1 ZINC001169500360 776529922 /nfs/dbraw/zinc/52/99/22/776529922.db2.gz HPXIYZMZDFSGOW-JTQLQIEISA-N 0 3 271.317 -1.124 20 0 CAADHN COC(=O)CNC(=O)CN[C@@H]1CCN(C(C)=O)C1 ZINC001169508788 776530190 /nfs/dbraw/zinc/53/01/90/776530190.db2.gz ABCMKOLIGPQMOU-SECBINFHSA-N 0 3 257.290 -1.514 20 0 CAADHN Cn1nnnc1CNCCCNC(=O)CCc1nnc[nH]1 ZINC001156328541 776531524 /nfs/dbraw/zinc/53/15/24/776531524.db2.gz XCXOLMIHLYZYMC-UHFFFAOYSA-N 0 3 293.335 -1.443 20 0 CAADHN C[C@H](NCCNC(=O)Cn1cc(C2CC2)nn1)C(N)=O ZINC001129347808 776537614 /nfs/dbraw/zinc/53/76/14/776537614.db2.gz SSZVNNCULRKLOR-QMMMGPOBSA-N 0 3 280.332 -1.265 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129347507 776538310 /nfs/dbraw/zinc/53/83/10/776538310.db2.gz PJAHPNDOJUHOBD-UHFFFAOYSA-N 0 3 294.359 -1.051 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129352039 776539016 /nfs/dbraw/zinc/53/90/16/776539016.db2.gz UDYDLLXNXPLFEL-VIFPVBQESA-N 0 3 294.359 -1.004 20 0 CAADHN NC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001108906901 776541805 /nfs/dbraw/zinc/54/18/05/776541805.db2.gz WYJDYMBAOCNMPD-UTLUCORTSA-N 0 3 270.333 -1.241 20 0 CAADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109106351 776546477 /nfs/dbraw/zinc/54/64/77/776546477.db2.gz MJIIVGMPEHBCGS-RCWTZXSCSA-N 0 3 285.344 -1.409 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](Cn1cccn1)N(C)C)C(N)=O ZINC001129384996 776548881 /nfs/dbraw/zinc/54/88/81/776548881.db2.gz BXRXBFFFWXLHRE-QWRGUYRKSA-N 0 3 296.375 -1.607 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](Cn1cccn1)N(C)C)C(N)=O ZINC001129384988 776549225 /nfs/dbraw/zinc/54/92/25/776549225.db2.gz BXRXBFFFWXLHRE-GHMZBOCLSA-N 0 3 296.375 -1.607 20 0 CAADHN O=C(CCn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001109882505 776552570 /nfs/dbraw/zinc/55/25/70/776552570.db2.gz DLRNNGFOKCQVCO-VWYCJHECSA-N 0 3 280.332 -1.223 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)[C@H](N)CCOC ZINC000052809056 776559712 /nfs/dbraw/zinc/55/97/12/776559712.db2.gz CHHVRCFJOLAPAB-SNVBAGLBSA-N 0 3 275.349 -1.039 20 0 CAADHN OCC(CO)(CO)Nc1ncc2c(n1)CCNC2 ZINC001157149835 776560161 /nfs/dbraw/zinc/56/01/61/776560161.db2.gz ZHVDRJWUFAJMJT-UHFFFAOYSA-N 0 3 254.290 -1.750 20 0 CAADHN Cc1nc(NC(CO)(CO)CO)cc(N(C)C)n1 ZINC001157149514 776560376 /nfs/dbraw/zinc/56/03/76/776560376.db2.gz NMQLNIBSQQDYOZ-UHFFFAOYSA-N 0 3 256.306 -1.021 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)[C@@H](N)CCOC ZINC000052809057 776560594 /nfs/dbraw/zinc/56/05/94/776560594.db2.gz CHHVRCFJOLAPAB-JTQLQIEISA-N 0 3 275.349 -1.039 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001090444719 776575111 /nfs/dbraw/zinc/57/51/11/776575111.db2.gz JNSDVYSPZDNXCT-ONGXEEELSA-N 0 3 280.328 -1.035 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)cn2)[C@@H](O)C1 ZINC001090444717 776576073 /nfs/dbraw/zinc/57/60/73/776576073.db2.gz JNSDVYSPZDNXCT-KOLCDFICSA-N 0 3 280.328 -1.035 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCN(C)C(=O)C1 ZINC001157486616 776579343 /nfs/dbraw/zinc/57/93/43/776579343.db2.gz ZQPBYUFOUVUYQC-CABZTGNLSA-N 0 3 284.360 -1.223 20 0 CAADHN COC(=O)[C@H](CCC(=O)N1C[C@@H](F)[C@@H](N)C1)NC(C)=O ZINC001157529933 776584742 /nfs/dbraw/zinc/58/47/42/776584742.db2.gz BJIWKGTUKXSBBY-UTLUCORTSA-N 0 3 289.307 -1.048 20 0 CAADHN N[C@H]1CN(C(=O)c2cc3n(n2)CCNC3=O)C[C@H]1F ZINC001157544750 776585211 /nfs/dbraw/zinc/58/52/11/776585211.db2.gz JKUHIOYCPZLJRG-RQJHMYQMSA-N 0 3 267.264 -1.252 20 0 CAADHN COC[C@@H](O)CN1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001113357909 776585313 /nfs/dbraw/zinc/58/53/13/776585313.db2.gz VAHJTINBWOFMQI-LBPRGKRZSA-N 0 3 297.359 -1.111 20 0 CAADHN CCn1nnc2c1[C@@H](C(=O)N1C[C@@H](F)[C@@H](N)C1)CNC2 ZINC001157530860 776585727 /nfs/dbraw/zinc/58/57/27/776585727.db2.gz KYKWPBZGJPFHSG-YIZRAAEISA-N 0 3 282.323 -1.008 20 0 CAADHN COCCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001113762295 776593397 /nfs/dbraw/zinc/59/33/97/776593397.db2.gz RZQURNINJQYVTA-MIZYBKAJSA-N 0 3 267.329 -1.042 20 0 CAADHN COCCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001113762294 776593690 /nfs/dbraw/zinc/59/36/90/776593690.db2.gz RZQURNINJQYVTA-KLBPJQLPSA-N 0 3 267.329 -1.042 20 0 CAADHN COCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113765648 776593989 /nfs/dbraw/zinc/59/39/89/776593989.db2.gz VUYWIOJVEUTQCU-KIKITERTSA-N 0 3 281.312 -1.516 20 0 CAADHN COCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001113766335 776594060 /nfs/dbraw/zinc/59/40/60/776594060.db2.gz BQASNSDTKCIVFD-IAZYJMLFSA-N 0 3 282.344 -1.296 20 0 CAADHN COCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113765649 776594236 /nfs/dbraw/zinc/59/42/36/776594236.db2.gz VUYWIOJVEUTQCU-SREGZZRCSA-N 0 3 281.312 -1.516 20 0 CAADHN COCCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113770799 776594588 /nfs/dbraw/zinc/59/45/88/776594588.db2.gz VIUITBKMQZWATQ-COMAGPEQSA-N 0 3 295.339 -1.126 20 0 CAADHN COCC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001113766279 776594669 /nfs/dbraw/zinc/59/46/69/776594669.db2.gz ASUPXDKSRKLBOU-IAZYJMLFSA-N 0 3 265.317 -1.029 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001113792870 776595807 /nfs/dbraw/zinc/59/58/07/776595807.db2.gz DCPIEXYZOFSFFX-PJXYFTJBSA-N 0 3 292.343 -1.539 20 0 CAADHN COCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(C)=O ZINC001113786736 776595952 /nfs/dbraw/zinc/59/59/52/776595952.db2.gz AESFXLXLQCAQSY-IMRBUKKESA-N 0 3 299.371 -1.168 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001113808983 776597274 /nfs/dbraw/zinc/59/72/74/776597274.db2.gz AEXOTFSDZNSTKB-SNXWAXQRSA-N 0 3 255.318 -1.450 20 0 CAADHN CCOCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001113823470 776598500 /nfs/dbraw/zinc/59/85/00/776598500.db2.gz WKZGSOFZTLHXTL-MIZYBKAJSA-N 0 3 267.329 -1.042 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001113825717 776598589 /nfs/dbraw/zinc/59/85/89/776598589.db2.gz QOYAASFUJRTCGK-FTYKPCCVSA-N 0 3 299.371 -1.434 20 0 CAADHN CCOCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113823697 776598797 /nfs/dbraw/zinc/59/87/97/776598797.db2.gz ZQVGPDBINYSJJF-COMAGPEQSA-N 0 3 295.339 -1.126 20 0 CAADHN CN(C[C@H]1CNCCO1)C(=O)Cn1cccc(N)c1=O ZINC001157716981 776600300 /nfs/dbraw/zinc/60/03/00/776600300.db2.gz VOJOYNPOCNCSNA-SNVBAGLBSA-N 0 3 280.328 -1.123 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001113841659 776601302 /nfs/dbraw/zinc/60/13/02/776601302.db2.gz FQAXDSRYFMRTKT-JZYVYDRUSA-N 0 3 286.332 -2.290 20 0 CAADHN O=C(Cn1cccn1)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001113855230 776601578 /nfs/dbraw/zinc/60/15/78/776601578.db2.gz VLHCABNEDDLPOU-IMRBUKKESA-N 0 3 294.355 -1.062 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001113899078 776604100 /nfs/dbraw/zinc/60/41/00/776604100.db2.gz HGDQYEDDNCWKFH-SRRSOLGSSA-N 0 3 294.355 -1.600 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001113902338 776605182 /nfs/dbraw/zinc/60/51/82/776605182.db2.gz VDHYYEXLKHZYKH-IAZYJMLFSA-N 0 3 255.318 -1.497 20 0 CAADHN CCCC(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001113972199 776606347 /nfs/dbraw/zinc/60/63/47/776606347.db2.gz WFPYVAZDMFWTAN-IWIIMEHWSA-N 0 3 269.345 -1.059 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114060011 776608859 /nfs/dbraw/zinc/60/88/59/776608859.db2.gz FEHZGJMSMOMPDT-GDGBQDQQSA-N 0 3 255.318 -1.449 20 0 CAADHN CCNC(=O)CCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114038929 776609039 /nfs/dbraw/zinc/60/90/39/776609039.db2.gz ZBTPGZKYWLKDMN-IWIIMEHWSA-N 0 3 269.345 -1.059 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001114085691 776610157 /nfs/dbraw/zinc/61/01/57/776610157.db2.gz KQWBALGVHUQZKZ-MSRIBSCDSA-N 0 3 294.355 -1.469 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114098537 776611254 /nfs/dbraw/zinc/61/12/54/776611254.db2.gz IDDAOSQRDRBKTJ-GDGBQDQQSA-N 0 3 271.317 -2.083 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114169440 776613719 /nfs/dbraw/zinc/61/37/19/776613719.db2.gz GGSYVDUYKIOMCC-GDGBQDQQSA-N 0 3 255.318 -1.449 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1nc[nH]n1 ZINC001114120594 776613910 /nfs/dbraw/zinc/61/39/10/776613910.db2.gz UTFKZWFYEDPWSK-APOZVJGGSA-N 0 3 292.343 -1.343 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001114095014 776613921 /nfs/dbraw/zinc/61/39/21/776613921.db2.gz ARDDBSWMMOOSLE-MCHASIABSA-N 0 3 266.301 -2.203 20 0 CAADHN CNC(=O)CCCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114172055 776615357 /nfs/dbraw/zinc/61/53/57/776615357.db2.gz NFQLIWXGLHLTCV-IWIIMEHWSA-N 0 3 269.345 -1.059 20 0 CAADHN O=C(CCn1ccnn1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114183080 776616978 /nfs/dbraw/zinc/61/69/78/776616978.db2.gz ZEIXGUUDDCSVJQ-IAZYJMLFSA-N 0 3 265.317 -1.293 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114182593 776617397 /nfs/dbraw/zinc/61/73/97/776617397.db2.gz PCADCMVSKHPLBX-RBXMUDONSA-N 0 3 256.306 -1.918 20 0 CAADHN O=C(CO[C@@H]1CCOC1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114281725 776619795 /nfs/dbraw/zinc/61/97/95/776619795.db2.gz ZISYXSOQOPDDGU-DCQANWLSSA-N 0 3 270.329 -1.169 20 0 CAADHN C[C@@H]1CC[C@@H](CO)CN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001157855671 776620558 /nfs/dbraw/zinc/62/05/58/776620558.db2.gz PJCJNSUHKKNKKL-UTUOFQBUSA-N 0 3 283.372 -1.064 20 0 CAADHN CN(C)[C@@H](C(=O)NCCNCc1nnn(C)n1)C1CC1 ZINC001129436388 776620722 /nfs/dbraw/zinc/62/07/22/776620722.db2.gz PFWPFTNLNMAUGT-LLVKDONJSA-N 0 3 281.364 -1.244 20 0 CAADHN CN(CC(=O)NCCNCc1nnn(C)n1)C1CCC1 ZINC001129526952 776621638 /nfs/dbraw/zinc/62/16/38/776621638.db2.gz UPMQFEHPAOSRBS-UHFFFAOYSA-N 0 3 281.364 -1.100 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn2ccncc12)C(N)=O ZINC001129546868 776622519 /nfs/dbraw/zinc/62/25/19/776622519.db2.gz SBHNKDOSENPCTM-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCOCC1=O)C(N)=O ZINC001129570337 776622581 /nfs/dbraw/zinc/62/25/81/776622581.db2.gz SYVADZLSWCPQBJ-MRVPVSSYSA-N 0 3 272.305 -2.575 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CCOCC1=O ZINC001129546492 776622591 /nfs/dbraw/zinc/62/25/91/776622591.db2.gz KPYXBSSPBLAHNL-UHFFFAOYSA-N 0 3 272.305 -2.703 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc2n(n1)CCO2 ZINC001129550204 776622606 /nfs/dbraw/zinc/62/26/06/776622606.db2.gz BWTABOBFNXOAHW-UHFFFAOYSA-N 0 3 253.262 -1.920 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnn2ccncc12 ZINC001129545910 776622688 /nfs/dbraw/zinc/62/26/88/776622688.db2.gz AYHQMUMTFMHDBS-UHFFFAOYSA-N 0 3 262.273 -1.466 20 0 CAADHN Cn1cncc1CNCCNC(=O)CN1CCOCC1=O ZINC001129546932 776622782 /nfs/dbraw/zinc/62/27/82/776622782.db2.gz SZAZAFIJFOMJQA-UHFFFAOYSA-N 0 3 295.343 -1.515 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cc3n(n2)CCO3)C1=O ZINC001129547155 776622791 /nfs/dbraw/zinc/62/27/91/776622791.db2.gz WYXDFQUCUOHEAX-SECBINFHSA-N 0 3 293.327 -1.174 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn2ccncc12)C(N)=O ZINC001129546867 776623235 /nfs/dbraw/zinc/62/32/35/776623235.db2.gz SBHNKDOSENPCTM-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CC[C@H](NCCNC(=O)c1cc2n(n1)CCO2)C(N)=O ZINC001129546034 776623266 /nfs/dbraw/zinc/62/32/66/776623266.db2.gz FGSRYLAXHDPWAK-QMMMGPOBSA-N 0 3 281.316 -1.141 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CN2CCOCC2=O)C1=O ZINC001129573338 776623999 /nfs/dbraw/zinc/62/39/99/776623999.db2.gz BMTBTEPGGWJOFR-SNVBAGLBSA-N 0 3 298.343 -2.218 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cnc2n[nH]nc2c1 ZINC001129578702 776624084 /nfs/dbraw/zinc/62/40/84/776624084.db2.gz RORUTXOEGSYBLI-MRVPVSSYSA-N 0 3 289.299 -1.439 20 0 CAADHN Cc1nn(C)cc1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001129597274 776624161 /nfs/dbraw/zinc/62/41/61/776624161.db2.gz ONAGFLSEBIBDFI-VIFPVBQESA-N 0 3 267.333 -1.149 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1cn(C)nc1C ZINC001129591951 776624178 /nfs/dbraw/zinc/62/41/78/776624178.db2.gz KCWRPNBBMJXLPF-UHFFFAOYSA-N 0 3 267.333 -1.277 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cnc2n[nH]nc2c1 ZINC001129578296 776624198 /nfs/dbraw/zinc/62/41/98/776624198.db2.gz KJEAQDKTLRUMKA-UHFFFAOYSA-N 0 3 291.315 -1.240 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnc2n[nH]nc2c1)C(N)=O ZINC001129578759 776624307 /nfs/dbraw/zinc/62/43/07/776624307.db2.gz TVLHQICPLOAECY-ZCFIWIBFSA-N 0 3 277.288 -1.454 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1CCOCC1=O)C(N)=O ZINC001129573995 776624582 /nfs/dbraw/zinc/62/45/82/776624582.db2.gz OTQWCVKWARAULO-SECBINFHSA-N 0 3 286.332 -2.185 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnc2n[nH]nc2c1 ZINC001129573896 776624620 /nfs/dbraw/zinc/62/46/20/776624620.db2.gz LOHDNEFQHLFFCS-UHFFFAOYSA-N 0 3 277.288 -1.582 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnc2n[nH]nc2c1 ZINC001129578972 776624809 /nfs/dbraw/zinc/62/48/09/776624809.db2.gz WDZJLGRWIMONPG-ZETCQYMHSA-N 0 3 291.315 -1.193 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cnc2n[nH]nc2c1 ZINC001129578706 776624823 /nfs/dbraw/zinc/62/48/23/776624823.db2.gz RORUTXOEGSYBLI-QMMMGPOBSA-N 0 3 289.299 -1.439 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn2ncccc12 ZINC001129582950 776624903 /nfs/dbraw/zinc/62/49/03/776624903.db2.gz LFDCOSCEUGKSDU-UHFFFAOYSA-N 0 3 276.300 -1.205 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnc2n[nH]nc2c1 ZINC001129577825 776625030 /nfs/dbraw/zinc/62/50/30/776625030.db2.gz CYPKNUAVLAUVOR-UHFFFAOYSA-N 0 3 291.315 -1.192 20 0 CAADHN CC[C@H](NCCNC(=O)CN1CCOCC1=O)C(N)=O ZINC001129573996 776625038 /nfs/dbraw/zinc/62/50/38/776625038.db2.gz OTQWCVKWARAULO-VIFPVBQESA-N 0 3 286.332 -2.185 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743065 776625585 /nfs/dbraw/zinc/62/55/85/776625585.db2.gz FBAWKXBCGITYOX-ZETCQYMHSA-N 0 3 285.304 -2.574 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnc2nccnc2c1 ZINC001129630261 776625623 /nfs/dbraw/zinc/62/56/23/776625623.db2.gz XZHQDVAOBBYRQI-UHFFFAOYSA-N 0 3 274.284 -1.171 20 0 CAADHN COC[C@H](C)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129677825 776625681 /nfs/dbraw/zinc/62/56/81/776625681.db2.gz OGDXPNQVVXXUHC-TUAOUCFPSA-N 0 3 297.359 -1.106 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@@H]1NC(=O)NC1=O)C(N)=O ZINC001129754490 776626045 /nfs/dbraw/zinc/62/60/45/776626045.db2.gz BXCIZCFPIHOHQH-BQBZGAKWSA-N 0 3 285.304 -2.446 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc2c(cn1)OCCO2 ZINC001129671069 776626315 /nfs/dbraw/zinc/62/63/15/776626315.db2.gz MWKFKWFYDUEJGM-UHFFFAOYSA-N 0 3 280.284 -1.343 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129751148 776626636 /nfs/dbraw/zinc/62/66/36/776626636.db2.gz VCEVAPDUZYXYHL-BQBZGAKWSA-N 0 3 285.304 -2.575 20 0 CAADHN Cn1cncc1CNCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743720 776627247 /nfs/dbraw/zinc/62/72/47/776627247.db2.gz USJSXGQQSNXDAZ-VIFPVBQESA-N 0 3 294.315 -1.776 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129802915 776627331 /nfs/dbraw/zinc/62/73/31/776627331.db2.gz RYQRHDNQIITZDH-JQWIXIFHSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001129803045 776627993 /nfs/dbraw/zinc/62/79/93/776627993.db2.gz VPBPQIHXVOZOFC-CABZTGNLSA-N 0 3 285.344 -1.225 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NCCN[C@@H]1CCNC1=O ZINC001129743365 776628426 /nfs/dbraw/zinc/62/84/26/776628426.db2.gz MVJXUEINDHHYNR-RQJHMYQMSA-N 0 3 283.288 -2.821 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@@H]2CCNC2=O)cc1=O ZINC001129814669 776628826 /nfs/dbraw/zinc/62/88/26/776628826.db2.gz YEAIKWBXHRSQJB-MRVPVSSYSA-N 0 3 279.300 -2.012 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1OCCO[C@H]1C)C(N)=O ZINC001129806508 776628886 /nfs/dbraw/zinc/62/88/86/776628886.db2.gz KHNYAJWPWVZSJK-AEJSXWLSSA-N 0 3 273.333 -1.240 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(=O)N2CCC2)cc1=O ZINC001129809765 776628982 /nfs/dbraw/zinc/62/89/82/776628982.db2.gz LTCAYAXYGTUGMF-UHFFFAOYSA-N 0 3 293.327 -1.668 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001129803150 776629019 /nfs/dbraw/zinc/62/90/19/776629019.db2.gz YOGMNUSIZAGCJS-CBAPKCEASA-N 0 3 288.304 -2.309 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1OCCO[C@H]1C)C(N)=O ZINC001129806509 776629144 /nfs/dbraw/zinc/62/91/44/776629144.db2.gz KHNYAJWPWVZSJK-GUBZILKMSA-N 0 3 273.333 -1.240 20 0 CAADHN Cn1cnc2cncc(C(=O)NCCNCC(N)=O)c21 ZINC001129846287 776629284 /nfs/dbraw/zinc/62/92/84/776629284.db2.gz ODRCZOJOQJODDY-UHFFFAOYSA-N 0 3 276.300 -1.227 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cc(=O)n(C)cn1 ZINC001129825033 776629298 /nfs/dbraw/zinc/62/92/98/776629298.db2.gz BKCSKTAQIMHADN-QMMMGPOBSA-N 0 3 281.316 -1.766 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1OCCO[C@H]1C)C(=O)N(C)C ZINC001129806766 776629393 /nfs/dbraw/zinc/62/93/93/776629393.db2.gz PVSDAVJXVKNYKL-DCAQKATOSA-N 0 3 287.360 -1.027 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001129803111 776629547 /nfs/dbraw/zinc/62/95/47/776629547.db2.gz XUSQCSRSMAHCCS-ONGXEEELSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc(=O)n(C)cn1)C(=O)N(C)C ZINC001129825494 776629584 /nfs/dbraw/zinc/62/95/84/776629584.db2.gz HGYJDWJNQBQNQI-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1cc(=O)n(C)cn1 ZINC001129813715 776629592 /nfs/dbraw/zinc/62/95/92/776629592.db2.gz CQQBSSILGJTEHO-UHFFFAOYSA-N 0 3 295.343 -1.376 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@H]2CCNC2=O)cc1=O ZINC001129814670 776629602 /nfs/dbraw/zinc/62/96/02/776629602.db2.gz YEAIKWBXHRSQJB-QMMMGPOBSA-N 0 3 279.300 -2.012 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(=O)NC2CC2)cc1=O ZINC001129814364 776629660 /nfs/dbraw/zinc/62/96/60/776629660.db2.gz QDZCPSHASFXCDU-UHFFFAOYSA-N 0 3 293.327 -1.622 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129806743 776629682 /nfs/dbraw/zinc/62/96/82/776629682.db2.gz OVFKHPWMNYSDMR-QXEWZRGKSA-N 0 3 299.327 -1.699 20 0 CAADHN CC[C@]1(C(=O)NCCN[C@@H](C)C(N)=O)CCNC1=O ZINC001129871519 776630322 /nfs/dbraw/zinc/63/03/22/776630322.db2.gz RFMCXGPBABIHJM-UFBFGSQYSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](NCCNC(=O)[C@]1(CC)CCNC1=O)C(N)=O ZINC001129872199 776630346 /nfs/dbraw/zinc/63/03/46/776630346.db2.gz VNOXDRZYWQTLAL-TVQRCGJNSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@]1(C(=O)NCCNCC(=O)NC(N)=O)CCNC1=O ZINC001129871334 776630388 /nfs/dbraw/zinc/63/03/88/776630388.db2.gz QJORWLSCMRPZKK-GFCCVEGCSA-N 0 3 299.331 -2.197 20 0 CAADHN CC[C@]1(C(=O)NCCN[C@H](C)C(N)=O)CCNC1=O ZINC001129871509 776630498 /nfs/dbraw/zinc/63/04/98/776630498.db2.gz RFMCXGPBABIHJM-PELKAZGASA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@]1(C(=O)NCCNCC(=O)NC2CC2)CCNC1=O ZINC001129871857 776630679 /nfs/dbraw/zinc/63/06/79/776630679.db2.gz TWQMZEMZNXNZJC-CQSZACIVSA-N 0 3 296.371 -1.113 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@]1(CC)CCNC1=O)C(N)=O ZINC001129872201 776630749 /nfs/dbraw/zinc/63/07/49/776630749.db2.gz VNOXDRZYWQTLAL-ZANVPECISA-N 0 3 284.360 -1.128 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnc2n1CCOC2 ZINC001129889463 776630792 /nfs/dbraw/zinc/63/07/92/776630792.db2.gz ZNCJZYLJPNXYCC-UHFFFAOYSA-N 0 3 281.316 -1.521 20 0 CAADHN CC[C@]1(C(=O)NCCNCC(=O)N(C)C)CCNC1=O ZINC001129870711 776630824 /nfs/dbraw/zinc/63/08/24/776630824.db2.gz KNXFXPGOAXFVIU-ZDUSSCGKSA-N 0 3 284.360 -1.303 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cnc2n1CCOC2 ZINC001129888758 776630968 /nfs/dbraw/zinc/63/09/68/776630968.db2.gz DEAYIPYLEFNROQ-VIFPVBQESA-N 0 3 293.327 -1.379 20 0 CAADHN CC[C@@]1(C(=O)NCCNCC(=O)N(C)C)CCNC1=O ZINC001129870708 776631192 /nfs/dbraw/zinc/63/11/92/776631192.db2.gz KNXFXPGOAXFVIU-CYBMUJFWSA-N 0 3 284.360 -1.303 20 0 CAADHN CC[C@@]1(C(=O)NCCN[C@@H](C)C(=O)NC)CCNC1=O ZINC001129871824 776631231 /nfs/dbraw/zinc/63/12/31/776631231.db2.gz SSDDRFRITBPHCP-TVQRCGJNSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@]1(C(=O)NCCN[C@@H](C)C(N)=O)CCNC1=O ZINC001129871517 776631244 /nfs/dbraw/zinc/63/12/44/776631244.db2.gz RFMCXGPBABIHJM-QPUJVOFHSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](NCCNC(=O)c1cnc2n1CCOC2)C(N)=O ZINC001129889057 776631291 /nfs/dbraw/zinc/63/12/91/776631291.db2.gz OTSFCTOFHRSXMT-QMMMGPOBSA-N 0 3 281.316 -1.394 20 0 CAADHN CC[C@@]1(C(=O)NCCNCC(=O)N2CCC2)CCNC1=O ZINC001129865491 776631324 /nfs/dbraw/zinc/63/13/24/776631324.db2.gz MLNNAZRYLRMHDX-CQSZACIVSA-N 0 3 296.371 -1.159 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCCN1c1ncccn1 ZINC001129889053 776631390 /nfs/dbraw/zinc/63/13/90/776631390.db2.gz OSLMNFDSORYOFR-JTQLQIEISA-N 0 3 292.343 -1.364 20 0 CAADHN CC[C@]1(C(=O)NCCN[C@@H]2CCN(C)C2=O)CCNC1=O ZINC001129875285 776632181 /nfs/dbraw/zinc/63/21/81/776632181.db2.gz MEZPBWLQSNHZDR-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001129924133 776632456 /nfs/dbraw/zinc/63/24/56/776632456.db2.gz NCLPZFOKVSWIDY-ZETCQYMHSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](NCCNC(=O)C(C)(C)C(N)=O)C(=O)NC(N)=O ZINC001129935737 776632476 /nfs/dbraw/zinc/63/24/76/776632476.db2.gz QNMPWILKCQEQEG-LURJTMIESA-N 0 3 287.320 -2.213 20 0 CAADHN Cc1cc(OCC(=O)NCCN[C@@H]2CCNC2=O)no1 ZINC001129912917 776632502 /nfs/dbraw/zinc/63/25/02/776632502.db2.gz HXIMSDBSOMWZQF-SECBINFHSA-N 0 3 282.300 -1.044 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)C(C)(C)C(N)=O)C1=O ZINC001129927380 776632569 /nfs/dbraw/zinc/63/25/69/776632569.db2.gz QZBMUZCLVBSUDP-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)C(C)(C)C(N)=O ZINC001129926665 776632783 /nfs/dbraw/zinc/63/27/83/776632783.db2.gz DOOHHYZFDWPJQW-UHFFFAOYSA-N 0 3 286.376 -1.024 20 0 CAADHN NC(=O)CNCCNC(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001129875482 776632813 /nfs/dbraw/zinc/63/28/13/776632813.db2.gz QMVYWBPJDPEQBG-AWEZNQCLSA-N 0 3 296.371 -1.126 20 0 CAADHN CC[C@]1(C(=O)NCCN[C@H]2CCNC2=O)CCNC1=O ZINC001129872379 776632870 /nfs/dbraw/zinc/63/28/70/776632870.db2.gz XBGCJHXOAGWRBM-ZANVPECISA-N 0 3 282.344 -1.503 20 0 CAADHN NC(=O)CNCCNC(=O)Cc1cnn2c1CCCC2 ZINC001129900723 776632878 /nfs/dbraw/zinc/63/28/78/776632878.db2.gz JKTJNDWXFATVEH-UHFFFAOYSA-N 0 3 279.344 -1.047 20 0 CAADHN CC[C@]1(C(=O)NCCN[C@H]2CCN(C)C2=O)CCNC1=O ZINC001129875282 776632912 /nfs/dbraw/zinc/63/29/12/776632912.db2.gz MEZPBWLQSNHZDR-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN Cc1cc(OCC(=O)NCCNCC(N)=O)no1 ZINC001129913338 776632939 /nfs/dbraw/zinc/63/29/39/776632939.db2.gz WRHMSDHFLIQFFX-UHFFFAOYSA-N 0 3 256.262 -1.447 20 0 CAADHN CC[C@@H](NCCNC(=O)C(C)(C)C(N)=O)C(N)=O ZINC001129927659 776633046 /nfs/dbraw/zinc/63/30/46/776633046.db2.gz YLLZVROIZUZBMR-SSDOTTSWSA-N 0 3 258.322 -1.532 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@]1(CC(C)C)CCNC1=O ZINC001129875210 776633070 /nfs/dbraw/zinc/63/30/70/776633070.db2.gz KKIPRJDRLCRFFB-AWEZNQCLSA-N 0 3 298.387 -1.009 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCCNC1=O ZINC001129953392 776633713 /nfs/dbraw/zinc/63/37/13/776633713.db2.gz INHIPXJUTZZZAG-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCCNC1=O)N1CCC1 ZINC001129952945 776633815 /nfs/dbraw/zinc/63/38/15/776633815.db2.gz CHCWMCPYEURDFP-SNVBAGLBSA-N 0 3 282.344 -1.549 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CCCNC1=O ZINC001129954060 776634258 /nfs/dbraw/zinc/63/42/58/776634258.db2.gz XSLXYNJQCPLEGL-JTQLQIEISA-N 0 3 284.360 -1.255 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCCNC1=O)NC1CC1 ZINC001129953717 776634272 /nfs/dbraw/zinc/63/42/72/776634272.db2.gz OPGQHWIZAZUAJA-SNVBAGLBSA-N 0 3 282.344 -1.503 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@H]2CCCNC2=O)C1=O ZINC001129952841 776634303 /nfs/dbraw/zinc/63/43/03/776634303.db2.gz ABBNDHUKNXJTNU-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCCNCC(=O)N1CCCC1 ZINC001129931333 776634360 /nfs/dbraw/zinc/63/43/60/776634360.db2.gz ROLHWYMNLQQFCM-UHFFFAOYSA-N 0 3 284.360 -1.174 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCCNCC(=O)NC1CC1 ZINC001129931434 776634517 /nfs/dbraw/zinc/63/45/17/776634517.db2.gz XJHZQCVSZVASMY-UHFFFAOYSA-N 0 3 270.333 -1.518 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCCNC1=O ZINC001129952963 776634639 /nfs/dbraw/zinc/63/46/39/776634639.db2.gz COHRUQJEPRRGTO-IUCAKERBSA-N 0 3 268.317 -1.893 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCNC1=O ZINC001129953037 776634690 /nfs/dbraw/zinc/63/46/90/776634690.db2.gz CUDZGGUBYWHMBY-ZETCQYMHSA-N 0 3 285.304 -2.587 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CCCNC1=O ZINC001129952842 776634735 /nfs/dbraw/zinc/63/47/35/776634735.db2.gz ABLURTZCDUYJKU-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CN(C(=O)CNCCNC(=O)C(C)(C)C(N)=O)C1CC1 ZINC001129931424 776634763 /nfs/dbraw/zinc/63/47/63/776634763.db2.gz WWAHMEIQNRULQU-UHFFFAOYSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCNC1=O)C(=O)NC1CC1 ZINC001129958306 776635438 /nfs/dbraw/zinc/63/54/38/776635438.db2.gz ZVNPXDLGAKTJQW-ONGXEEELSA-N 0 3 296.371 -1.115 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CCCNC1=O ZINC001129954111 776635497 /nfs/dbraw/zinc/63/54/97/776635497.db2.gz YSSOIEFZLHPXFE-VHSXEESVSA-N 0 3 282.344 -1.503 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1CCCNC1=O ZINC001129957604 776635543 /nfs/dbraw/zinc/63/55/43/776635543.db2.gz QDGCQTXFJRFLHJ-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN Cc1ncn(C)c1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001129964948 776635565 /nfs/dbraw/zinc/63/55/65/776635565.db2.gz GVFLGHNPMKIBJZ-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCNC1=O)C(=O)NC(N)=O ZINC001129956690 776635616 /nfs/dbraw/zinc/63/56/16/776635616.db2.gz DHOMDTOZSDTUCM-SFYZADRCSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCNC1=O)C(=O)NC(N)=O ZINC001129956688 776635626 /nfs/dbraw/zinc/63/56/26/776635626.db2.gz DHOMDTOZSDTUCM-HTQZYQBOSA-N 0 3 299.331 -2.198 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCNC1=O ZINC001129958292 776635773 /nfs/dbraw/zinc/63/57/73/776635773.db2.gz ZQYVKKKWLNRYQZ-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN Cc1cc(=O)c(C(=O)NCCN[C@@H]2CCNC2=O)cn1C ZINC001129984283 776635948 /nfs/dbraw/zinc/63/59/48/776635948.db2.gz BYXLADUKAIRQCE-LLVKDONJSA-N 0 3 292.339 -1.098 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCNC1=O)C(=O)NC1CC1 ZINC001129958304 776636028 /nfs/dbraw/zinc/63/60/28/776636028.db2.gz ZVNPXDLGAKTJQW-KOLCDFICSA-N 0 3 296.371 -1.115 20 0 CAADHN Cc1ncn(C)c1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001129964947 776636116 /nfs/dbraw/zinc/63/61/16/776636116.db2.gz GVFLGHNPMKIBJZ-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN Cc1cc(=O)c(C(=O)NCCN[C@H](C)C(N)=O)cn1C ZINC001129984758 776636176 /nfs/dbraw/zinc/63/61/76/776636176.db2.gz ZHYQPBBOAJTFBA-SECBINFHSA-N 0 3 280.328 -1.113 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCCNC2=O)C1=O ZINC001129956512 776636239 /nfs/dbraw/zinc/63/62/39/776636239.db2.gz BVBTVKLOJNUSDH-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCNC1=O ZINC001129958290 776636247 /nfs/dbraw/zinc/63/62/47/776636247.db2.gz ZQYVKKKWLNRYQZ-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN Cc1cc(=O)c(C(=O)NCCN[C@@H](C)C(N)=O)cn1C ZINC001129984759 776636358 /nfs/dbraw/zinc/63/63/58/776636358.db2.gz ZHYQPBBOAJTFBA-VIFPVBQESA-N 0 3 280.328 -1.113 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CCCNC1=O ZINC001129954112 776636386 /nfs/dbraw/zinc/63/63/86/776636386.db2.gz YSSOIEFZLHPXFE-ZJUUUORDSA-N 0 3 282.344 -1.503 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001129998051 776637117 /nfs/dbraw/zinc/63/71/17/776637117.db2.gz NJRPTLUXMUFSJJ-LURJTMIESA-N 0 3 298.303 -1.673 20 0 CAADHN COC1CC(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001130020109 776637194 /nfs/dbraw/zinc/63/71/94/776637194.db2.gz QPWQMUHGXVZOIG-UDNWOFFPSA-N 0 3 283.328 -1.078 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001129996271 776637415 /nfs/dbraw/zinc/63/74/15/776637415.db2.gz INDGXYXCJAZPFC-UHFFFAOYSA-N 0 3 298.303 -1.801 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cn[nH]c(=O)c1 ZINC001129991461 776637454 /nfs/dbraw/zinc/63/74/54/776637454.db2.gz YOUITSMBHLMLSO-SSDOTTSWSA-N 0 3 267.289 -1.364 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1cn[nH]c(=O)c1 ZINC001129992747 776637663 /nfs/dbraw/zinc/63/76/63/776637663.db2.gz ULGDBEVJXCDVFL-UHFFFAOYSA-N 0 3 281.316 -1.020 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cn[nH]c(=O)c1 ZINC001129991462 776637696 /nfs/dbraw/zinc/63/76/96/776637696.db2.gz YOUITSMBHLMLSO-ZETCQYMHSA-N 0 3 267.289 -1.364 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001129998052 776637856 /nfs/dbraw/zinc/63/78/56/776637856.db2.gz NJRPTLUXMUFSJJ-ZCFIWIBFSA-N 0 3 298.303 -1.673 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCN[C@H](C)C(N)=O ZINC001129996916 776637900 /nfs/dbraw/zinc/63/79/00/776637900.db2.gz YYPYSZOIQGIMPD-ZCFIWIBFSA-N 0 3 255.278 -1.383 20 0 CAADHN C[C@H](NCCNC(=O)c1cn[nH]c(=O)c1)C(=O)NC(N)=O ZINC001129993788 776637933 /nfs/dbraw/zinc/63/79/33/776637933.db2.gz HDIVTKBFKQJEQG-LURJTMIESA-N 0 3 296.287 -1.915 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCN[C@@H]1CCNC1=O ZINC001129996265 776638073 /nfs/dbraw/zinc/63/80/73/776638073.db2.gz IINOPDZDTSMQIW-SSDOTTSWSA-N 0 3 267.289 -1.368 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CCCC(=O)N1 ZINC001130035321 776638392 /nfs/dbraw/zinc/63/83/92/776638392.db2.gz PQLCUVPWAKIXJA-VHSXEESVSA-N 0 3 282.344 -1.361 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1CCCC(=O)N1 ZINC001130035198 776638408 /nfs/dbraw/zinc/63/84/08/776638408.db2.gz LGWGGFDUIQRINJ-RKDXNWHRSA-N 0 3 296.327 -1.834 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130031309 776638446 /nfs/dbraw/zinc/63/84/46/776638446.db2.gz KJAFDYOECHIWDT-MRVPVSSYSA-N 0 3 256.306 -1.893 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCCC(=O)N1)NC1CC1 ZINC001130035305 776638675 /nfs/dbraw/zinc/63/86/75/776638675.db2.gz PEOJSKCHMLOATB-SNVBAGLBSA-N 0 3 282.344 -1.361 20 0 CAADHN CN1CC[C@H](CC(=O)NCCN[C@H]2CCNC2=O)C1=O ZINC001130041573 776638871 /nfs/dbraw/zinc/63/88/71/776638871.db2.gz PJRQOTVDSILDJR-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1CC[C@@H](CC(=O)NCCNCC(=O)N2CCC2)C1=O ZINC001130041906 776638948 /nfs/dbraw/zinc/63/89/48/776638948.db2.gz YQYPQZVZGRFRRD-NSHDSACASA-N 0 3 296.371 -1.207 20 0 CAADHN CC[C@@H](NCCNC(=O)COCc1nccn1C)C(N)=O ZINC001130039061 776638965 /nfs/dbraw/zinc/63/89/65/776638965.db2.gz XAYMENHHYMXTHQ-SNVBAGLBSA-N 0 3 297.359 -1.094 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001130035052 776638987 /nfs/dbraw/zinc/63/89/87/776638987.db2.gz DKZZOFZMOMGZJC-LLVKDONJSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157904349 776638999 /nfs/dbraw/zinc/63/89/99/776638999.db2.gz LAPYDOCTAWGAMA-OPRDCNLKSA-N 0 3 288.348 -2.036 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@H]2CCCC(=O)N2)C1=O ZINC001130035324 776639040 /nfs/dbraw/zinc/63/90/40/776639040.db2.gz PSJVZZYTHPZALK-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@H]2CCCC(=O)N2)C1=O ZINC001130035323 776639078 /nfs/dbraw/zinc/63/90/78/776639078.db2.gz PSJVZZYTHPZALK-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CN1CC[C@H](CC(=O)NCCNCC(N)=O)C1=O ZINC001130041593 776639099 /nfs/dbraw/zinc/63/90/99/776639099.db2.gz QHSXIJJLDJGJRU-MRVPVSSYSA-N 0 3 256.306 -1.954 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCC(=O)N1)C(N)=O ZINC001130035338 776639254 /nfs/dbraw/zinc/63/92/54/776639254.db2.gz QHSOBAWGDQPVEG-JGVFFNPUSA-N 0 3 256.306 -1.765 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130034995 776639470 /nfs/dbraw/zinc/63/94/70/776639470.db2.gz ADHONPWGMNLRLL-SNVBAGLBSA-N 0 3 284.360 -1.113 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041644 776639567 /nfs/dbraw/zinc/63/95/67/776639567.db2.gz RKVQLAKJZJQZLG-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCC(=O)N1)C(=O)NC(N)=O ZINC001130037631 776640147 /nfs/dbraw/zinc/64/01/47/776640147.db2.gz RPTBKLHFPFCVAV-HTQZYQBOSA-N 0 3 299.331 -2.056 20 0 CAADHN CN1CC[C@H](CC(=O)NCCN[C@H]2CCN(C)C2=O)C1=O ZINC001130050617 776640176 /nfs/dbraw/zinc/64/01/76/776640176.db2.gz DJEUTNQBPNMBBT-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130037352 776640217 /nfs/dbraw/zinc/64/02/17/776640217.db2.gz JPSBRFSOQZQABP-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@H]1CCN(C)C1=O)C(N)=O ZINC001130052184 776640271 /nfs/dbraw/zinc/64/02/71/776640271.db2.gz ZAHFQNRPTVSZHB-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN1CC[C@H](CC(=O)NCCN[C@H]2CCCNC2=O)C1=O ZINC001130048331 776640342 /nfs/dbraw/zinc/64/03/42/776640342.db2.gz QOFOEFXNNRUNAO-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCCC(=O)N1)C(N)=O ZINC001130037854 776640463 /nfs/dbraw/zinc/64/04/63/776640463.db2.gz YSHMUAHVPXPPIU-DTWKUNHWSA-N 0 3 270.333 -1.375 20 0 CAADHN CN1CC[C@@H](CC(=O)NCCN[C@@H]2CCCNC2=O)C1=O ZINC001130048333 776640829 /nfs/dbraw/zinc/64/08/29/776640829.db2.gz QOFOEFXNNRUNAO-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCCC(=O)N1)N1CCCC1 ZINC001130035482 776640925 /nfs/dbraw/zinc/64/09/25/776640925.db2.gz XTRJNOXZQNWOCA-LLVKDONJSA-N 0 3 296.371 -1.017 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCCC(=O)N2)C1=O ZINC001130037391 776640962 /nfs/dbraw/zinc/64/09/62/776640962.db2.gz KWMOYJMXTRXRJC-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccnn1CCOC ZINC001130066335 776641038 /nfs/dbraw/zinc/64/10/38/776641038.db2.gz UKXJWGOMYKIHHX-UHFFFAOYSA-N 0 3 283.332 -1.405 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCN(C)C1=O)C(N)=O ZINC001130050549 776641169 /nfs/dbraw/zinc/64/11/69/776641169.db2.gz CAASFJVPBMLJFX-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157903282 776641222 /nfs/dbraw/zinc/64/12/22/776641222.db2.gz FCBHPNKOOGNLPT-IEBDPFPHSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157903282 776641228 /nfs/dbraw/zinc/64/12/28/776641228.db2.gz FCBHPNKOOGNLPT-IEBDPFPHSA-N 0 3 268.317 -1.519 20 0 CAADHN CCNC(=O)CNCCNC(=O)COCc1nccn1C ZINC001130038465 776641238 /nfs/dbraw/zinc/64/12/38/776641238.db2.gz FQAONQMXXHYXTQ-UHFFFAOYSA-N 0 3 297.359 -1.221 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCCC(=O)N1)NCC1CC1 ZINC001130035518 776641245 /nfs/dbraw/zinc/64/12/45/776641245.db2.gz ZHLOXJXXCACXDZ-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN Cc1nc(C(=O)NCCN[C@H](C)C(N)=O)c(=O)[nH]c1C ZINC001130124731 776641655 /nfs/dbraw/zinc/64/16/55/776641655.db2.gz WFNIHNHQKBTCKS-MRVPVSSYSA-N 0 3 281.316 -1.008 20 0 CAADHN Cc1cc(COCC(=O)NCCNCC(N)=O)on1 ZINC001130118160 776641887 /nfs/dbraw/zinc/64/18/87/776641887.db2.gz QJXJXVGRGGEUOH-UHFFFAOYSA-N 0 3 270.289 -1.309 20 0 CAADHN C[C@@H]([NH2+]CCNC(=O)c1cnc[n-]c1=O)C(=O)N(C)C ZINC001130073770 776642050 /nfs/dbraw/zinc/64/20/50/776642050.db2.gz FFLZQIARGKLBNF-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@H]([NH2+]CCNC(=O)c1cnc[n-]c1=O)C(=O)N(C)C ZINC001130073771 776642301 /nfs/dbraw/zinc/64/23/01/776642301.db2.gz FFLZQIARGKLBNF-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN O=C(NCC[NH2+]CCOCCO)c1cnc[n-]c1=O ZINC001130072559 776642347 /nfs/dbraw/zinc/64/23/47/776642347.db2.gz REBNGBODPPUZJX-UHFFFAOYSA-N 0 3 270.289 -1.490 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC1(F)F ZINC001130092018 776642503 /nfs/dbraw/zinc/64/25/03/776642503.db2.gz LNCSKHVRVYMELG-LURJTMIESA-N 0 3 278.259 -1.068 20 0 CAADHN CC[C@@H]([NH2+]CCNC(=O)c1cnc[n-]c1=O)C(N)=O ZINC001130074174 776642610 /nfs/dbraw/zinc/64/26/10/776642610.db2.gz OQGIRFJZBRXKRS-MRVPVSSYSA-N 0 3 267.289 -1.235 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnc2n[nH]cc2c1 ZINC001130089307 776642677 /nfs/dbraw/zinc/64/26/77/776642677.db2.gz IOZUAUYUDXCIKS-UHFFFAOYSA-N 0 3 262.273 -1.237 20 0 CAADHN C[C@H]1CC[C@@H](CO)N1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001157913821 776642952 /nfs/dbraw/zinc/64/29/52/776642952.db2.gz BIHSAQLIFHAXQL-GARJFASQSA-N 0 3 269.345 -1.311 20 0 CAADHN Cn1nccc1COCC(=O)NCCN[C@@H]1CCNC1=O ZINC001130120838 776643052 /nfs/dbraw/zinc/64/30/52/776643052.db2.gz LGSGTNAHMUOBHK-LLVKDONJSA-N 0 3 295.343 -1.469 20 0 CAADHN C[C@]1(C(=O)NCCNCC(N)=O)CCNC(=O)C1 ZINC001130203127 776643698 /nfs/dbraw/zinc/64/36/98/776643698.db2.gz FOSSMMKXDZSSGH-NSHDSACASA-N 0 3 256.306 -1.906 20 0 CAADHN CO[C@H]1CCn2cc(C(=O)NCCNCC(N)=O)nc2C1 ZINC001130163250 776643824 /nfs/dbraw/zinc/64/38/24/776643824.db2.gz QSAGNUXHNMSPHB-VIFPVBQESA-N 0 3 295.343 -1.351 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)COCc1ccnn1C ZINC001130121948 776643833 /nfs/dbraw/zinc/64/38/33/776643833.db2.gz HPGGBGGYXSWKRE-SNVBAGLBSA-N 0 3 297.359 -1.223 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCCNC2=O)CCNC(=O)C1 ZINC001130203653 776643943 /nfs/dbraw/zinc/64/39/43/776643943.db2.gz RTQGHHXMZGLKDF-QMTHXVAHSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCC(=O)N2CCC2)O1 ZINC001130186323 776644051 /nfs/dbraw/zinc/64/40/51/776644051.db2.gz FTQVBMSIXZZFSW-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCC(=O)NC2CC2)O1 ZINC001130180132 776644233 /nfs/dbraw/zinc/64/42/33/776644233.db2.gz CHWVLGJJGJWMRZ-ZYHUDNBSSA-N 0 3 298.387 -1.310 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1)C(N)=O ZINC001130182795 776644538 /nfs/dbraw/zinc/64/45/38/776644538.db2.gz WVFXECYLKMWFGG-GMTAPVOTSA-N 0 3 286.376 -1.325 20 0 CAADHN Cc1nn[nH]c1C(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090482998 776644569 /nfs/dbraw/zinc/64/45/69/776644569.db2.gz PAHVHNCUYGZNKX-VHSXEESVSA-N 0 3 283.332 -1.339 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCC(=O)N(C)C)O1 ZINC001130180352 776644652 /nfs/dbraw/zinc/64/46/52/776644652.db2.gz OCXHVLIHQYCANT-GHMZBOCLSA-N 0 3 286.376 -1.501 20 0 CAADHN C[C@]1(C(=O)NCCN[C@H]2CCCNC2=O)CCNC(=O)C1 ZINC001130203651 776644781 /nfs/dbraw/zinc/64/47/81/776644781.db2.gz RTQGHHXMZGLKDF-HZMBPMFUSA-N 0 3 296.371 -1.113 20 0 CAADHN CC[C@H](C(=O)NCCNCc1nnn(C)n1)N(C)C ZINC001130197711 776644896 /nfs/dbraw/zinc/64/48/96/776644896.db2.gz NHBWBUBMKGUCAX-SECBINFHSA-N 0 3 269.353 -1.244 20 0 CAADHN CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[n-]1 ZINC001130173349 776645053 /nfs/dbraw/zinc/64/50/53/776645053.db2.gz MXIMLVIFMKRMSZ-IUCAKERBSA-N 0 3 296.331 -1.612 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@]1(C)CCNC(=O)C1)C(N)=O ZINC001130203586 776645214 /nfs/dbraw/zinc/64/52/14/776645214.db2.gz QGDRWWLXBPRHFC-PELKAZGASA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCCNC2=O)CCNC(=O)C1 ZINC001130203652 776645258 /nfs/dbraw/zinc/64/52/58/776645258.db2.gz RTQGHHXMZGLKDF-IINYFYTJSA-N 0 3 296.371 -1.113 20 0 CAADHN CC[C@H](NCCNC(=O)COCc1ccnn1C)C(N)=O ZINC001130121956 776645377 /nfs/dbraw/zinc/64/53/77/776645377.db2.gz HYNMZYBCAZZCMP-NSHDSACASA-N 0 3 297.359 -1.094 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@]2(C)CCNC(=O)C2)C1=O ZINC001130208119 776645957 /nfs/dbraw/zinc/64/59/57/776645957.db2.gz DEPLTWSCCHLKNQ-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130205704 776646210 /nfs/dbraw/zinc/64/62/10/776646210.db2.gz SWWRRXBBKQJSIS-RNCFNFMXSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn2c(n1)COCC2)C(N)=O ZINC001130248653 776646221 /nfs/dbraw/zinc/64/62/21/776646221.db2.gz NHWWCUVYRZSDNJ-MRVPVSSYSA-N 0 3 281.316 -1.394 20 0 CAADHN CNC(=O)CNCCNC(=O)COCc1cc[nH]c(=O)c1 ZINC001130214570 776646360 /nfs/dbraw/zinc/64/63/60/776646360.db2.gz WLMGKDYEOPEMJJ-UHFFFAOYSA-N 0 3 296.327 -1.244 20 0 CAADHN C[C@H](NCCNC(=O)c1cn2c(n1)COCC2)C(N)=O ZINC001130248654 776646401 /nfs/dbraw/zinc/64/64/01/776646401.db2.gz NHWWCUVYRZSDNJ-QMMMGPOBSA-N 0 3 281.316 -1.394 20 0 CAADHN CC[C@H](NCCNC(=O)c1cn2c(n1)COCC2)C(N)=O ZINC001130248776 776646412 /nfs/dbraw/zinc/64/64/12/776646412.db2.gz SVCUEUBRYCJEDA-VIFPVBQESA-N 0 3 295.343 -1.003 20 0 CAADHN C[C@H](NCCNC(=O)COCc1cc[nH]c(=O)c1)C(N)=O ZINC001130217223 776646448 /nfs/dbraw/zinc/64/64/48/776646448.db2.gz UNYJMMPBBFLFRQ-VIFPVBQESA-N 0 3 296.327 -1.117 20 0 CAADHN NC(=O)CNCCNC(=O)Cc1ccc(C(N)=O)nc1 ZINC001130248470 776646468 /nfs/dbraw/zinc/64/64/68/776646468.db2.gz GKCUDCXACMHMKT-UHFFFAOYSA-N 0 3 279.300 -2.086 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@]2(C)CCNC(=O)C2)C1=O ZINC001130208118 776646488 /nfs/dbraw/zinc/64/64/88/776646488.db2.gz DEPLTWSCCHLKNQ-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)NC2CC2)CCNC(=O)C1 ZINC001130200080 776646522 /nfs/dbraw/zinc/64/65/22/776646522.db2.gz DBWYDNKSIZADSY-AWEZNQCLSA-N 0 3 296.371 -1.113 20 0 CAADHN NCc1nc(=O)[n-]n1-c1ncnc2c1CC[NH2+]CC2 ZINC001157933286 776646579 /nfs/dbraw/zinc/64/65/79/776646579.db2.gz RFGHNWSTKVJKNL-UHFFFAOYSA-N 0 3 261.289 -1.090 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@]1(C)CCNC(=O)C1)C(N)=O ZINC001130208866 776646620 /nfs/dbraw/zinc/64/66/20/776646620.db2.gz WEJGJLWZSPLUEL-ZANVPECISA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@]1(C)CCNC(=O)C1)C(N)=O ZINC001130208864 776646716 /nfs/dbraw/zinc/64/67/16/776646716.db2.gz WEJGJLWZSPLUEL-RNCFNFMXSA-N 0 3 284.360 -1.128 20 0 CAADHN COc1cc(COCC(=O)NCCNCC(N)=O)ccn1 ZINC001130211743 776646751 /nfs/dbraw/zinc/64/67/51/776646751.db2.gz NOEBQEKXHSGFFK-UHFFFAOYSA-N 0 3 296.327 -1.202 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cn2c(n1)COCC2)C(N)=O ZINC001130248775 776647045 /nfs/dbraw/zinc/64/70/45/776647045.db2.gz SVCUEUBRYCJEDA-SECBINFHSA-N 0 3 295.343 -1.003 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157933825 776647101 /nfs/dbraw/zinc/64/71/01/776647101.db2.gz DLKJNQWDJCIMFO-ZFZHSICOSA-N 0 3 278.374 -1.716 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130205703 776647132 /nfs/dbraw/zinc/64/71/32/776647132.db2.gz SWWRRXBBKQJSIS-NOZJJQNGSA-N 0 3 284.360 -1.257 20 0 CAADHN NC(=O)CNCCNC(=O)COCc1cc[nH]c(=O)c1 ZINC001130217275 776647162 /nfs/dbraw/zinc/64/71/62/776647162.db2.gz VUVLUOXZPDEKNT-UHFFFAOYSA-N 0 3 282.300 -1.505 20 0 CAADHN COc1cc(OC)nc(C(=O)NCCNCC(N)=O)n1 ZINC001130286976 776647991 /nfs/dbraw/zinc/64/79/91/776647991.db2.gz NKUKCQHBRGRYGL-UHFFFAOYSA-N 0 3 283.288 -1.702 20 0 CAADHN Cn1nnc2cc(C(=O)NCCNCC(N)=O)ccc21 ZINC001130275164 776648007 /nfs/dbraw/zinc/64/80/07/776648007.db2.gz SUDBHNSFXRUHLA-UHFFFAOYSA-N 0 3 276.300 -1.227 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cn2c(n1)COCC2 ZINC001130250890 776648019 /nfs/dbraw/zinc/64/80/19/776648019.db2.gz QZNVCQHCCIPGFI-VIFPVBQESA-N 0 3 293.327 -1.379 20 0 CAADHN NC(=O)CNCCNC(=O)c1cn2c(n1)COCC2 ZINC001130250628 776648509 /nfs/dbraw/zinc/64/85/09/776648509.db2.gz CSPNGHIDWZSLSR-UHFFFAOYSA-N 0 3 267.289 -1.782 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cn2c(n1)COCC2 ZINC001130250889 776648735 /nfs/dbraw/zinc/64/87/35/776648735.db2.gz QZNVCQHCCIPGFI-SECBINFHSA-N 0 3 293.327 -1.379 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157935002 776648775 /nfs/dbraw/zinc/64/87/75/776648775.db2.gz QAFWHHHXKUOAEY-OPRDCNLKSA-N 0 3 288.348 -2.036 20 0 CAADHN CNC(=O)CNCCNC(=O)c1nc(OC)cc(OC)n1 ZINC001130283532 776648937 /nfs/dbraw/zinc/64/89/37/776648937.db2.gz CVDAPAONZABBOM-UHFFFAOYSA-N 0 3 297.315 -1.441 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934992 776649099 /nfs/dbraw/zinc/64/90/99/776649099.db2.gz PZRBWCNVCAJGCJ-IEBDPFPHSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157934992 776649104 /nfs/dbraw/zinc/64/91/04/776649104.db2.gz PZRBWCNVCAJGCJ-IEBDPFPHSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934990 776649124 /nfs/dbraw/zinc/64/91/24/776649124.db2.gz PZRBWCNVCAJGCJ-FBIMIBRVSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157934990 776649130 /nfs/dbraw/zinc/64/91/30/776649130.db2.gz PZRBWCNVCAJGCJ-FBIMIBRVSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934994 776649259 /nfs/dbraw/zinc/64/92/59/776649259.db2.gz PZRBWCNVCAJGCJ-JMJZKYOTSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157934994 776649261 /nfs/dbraw/zinc/64/92/61/776649261.db2.gz PZRBWCNVCAJGCJ-JMJZKYOTSA-N 0 3 268.317 -1.519 20 0 CAADHN COc1cc(OC)nc(C(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001130287128 776649290 /nfs/dbraw/zinc/64/92/90/776649290.db2.gz SWZHZYVAERRAQE-ZETCQYMHSA-N 0 3 297.315 -1.313 20 0 CAADHN C[C@]1(CO)CCN(C(=O)[C@H]2COC3(CNC3)CN2)C[C@@H]1O ZINC001157944826 776652194 /nfs/dbraw/zinc/65/21/94/776652194.db2.gz KJQMNHLEFTYRAP-NTZNESFSSA-N 0 3 299.371 -2.091 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)S(C)(=O)=O)C(=O)N(C)C ZINC001130329894 776652244 /nfs/dbraw/zinc/65/22/44/776652244.db2.gz DPHFCUUGVULNAJ-IUCAKERBSA-N 0 3 293.389 -1.398 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001130362346 776652329 /nfs/dbraw/zinc/65/23/29/776652329.db2.gz ORABVYGLGNSXIM-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN C[C@@H](NCCNC(=O)CCS(C)(=O)=O)C(=O)N(C)C ZINC001130333678 776652360 /nfs/dbraw/zinc/65/23/60/776652360.db2.gz IFAXLNKISWUABA-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN CN1CC[C@@H](C(=O)NCCN[C@H]2CCNC2=O)CC1=O ZINC001130364624 776652731 /nfs/dbraw/zinc/65/27/31/776652731.db2.gz RQIIVHYPKLQBLK-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](NCCNC(=O)c1cccc(C(N)=O)c1)C(N)=O ZINC001130363802 776652841 /nfs/dbraw/zinc/65/28/41/776652841.db2.gz FWDFNIDLJXNVIC-QMMMGPOBSA-N 0 3 278.312 -1.021 20 0 CAADHN CN1CC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)CC1=O ZINC001130364621 776652860 /nfs/dbraw/zinc/65/28/60/776652860.db2.gz RQIIVHYPKLQBLK-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@]1(CO)CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)C[C@@H]1O ZINC001157946459 776652889 /nfs/dbraw/zinc/65/28/89/776652889.db2.gz NIGQLMCKQJJZFW-GMXVVIOVSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@]1(CO)CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)C[C@@H]1O ZINC001157946459 776652897 /nfs/dbraw/zinc/65/28/97/776652897.db2.gz NIGQLMCKQJJZFW-GMXVVIOVSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@H](NCCNC(=O)c1ccn(C)c(=O)c1)C(N)=O ZINC001130376711 776653011 /nfs/dbraw/zinc/65/30/11/776653011.db2.gz YDYPILIGTFNIFN-QMMMGPOBSA-N 0 3 266.301 -1.422 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccc(C(N)=O)c1)C(N)=O ZINC001130363801 776653276 /nfs/dbraw/zinc/65/32/76/776653276.db2.gz FWDFNIDLJXNVIC-MRVPVSSYSA-N 0 3 278.312 -1.021 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccn(C)c(=O)c1 ZINC001130379171 776653337 /nfs/dbraw/zinc/65/33/37/776653337.db2.gz NPFNBBCZTNDUMQ-UHFFFAOYSA-N 0 3 280.328 -1.159 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001130363644 776653499 /nfs/dbraw/zinc/65/34/99/776653499.db2.gz BCRKVDUENOMUDE-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN Cn1ccc(C(=O)NCCN[C@@H]2CCNC2=O)cc1=O ZINC001130379390 776653447 /nfs/dbraw/zinc/65/34/47/776653447.db2.gz ZVVBDSPPDMDPBV-SNVBAGLBSA-N 0 3 278.312 -1.407 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)CC1=O ZINC001130364608 776653593 /nfs/dbraw/zinc/65/35/93/776653593.db2.gz RIGVDKHXHBJJHO-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCN(C)C(=O)C1)C(N)=O ZINC001130364808 776653696 /nfs/dbraw/zinc/65/36/96/776653696.db2.gz VHXCOVAOSHWOCX-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCN(C)C(=O)C2)C1=O ZINC001130367516 776654254 /nfs/dbraw/zinc/65/42/54/776654254.db2.gz MBOHDSVLJZDQSG-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@]1(CO)CN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC[C@@H]1O ZINC001157946491 776654267 /nfs/dbraw/zinc/65/42/67/776654267.db2.gz NWLCRXVCWSQAFC-GMXVVIOVSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@]1(CO)CN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC[C@@H]1O ZINC001157946491 776654271 /nfs/dbraw/zinc/65/42/71/776654271.db2.gz NWLCRXVCWSQAFC-GMXVVIOVSA-N 0 3 282.344 -1.129 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCN(C)C(=O)C2)C1=O ZINC001130367513 776654804 /nfs/dbraw/zinc/65/48/04/776654804.db2.gz MBOHDSVLJZDQSG-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCN(C)C(=O)C1)C(N)=O ZINC001130367965 776654814 /nfs/dbraw/zinc/65/48/14/776654814.db2.gz ZVVPXTYEGYQJSB-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN1CC[C@@H](C(=O)NCCNCC(=O)NC2CC2)CC1=O ZINC001130364813 776654827 /nfs/dbraw/zinc/65/48/27/776654827.db2.gz VIEZSMLFIHTOKT-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCN(C)C(=O)C1)C(N)=O ZINC001130367966 776655007 /nfs/dbraw/zinc/65/50/07/776655007.db2.gz ZVVPXTYEGYQJSB-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@]1(CO)CN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC[C@H]1O ZINC001157946493 776655028 /nfs/dbraw/zinc/65/50/28/776655028.db2.gz NWLCRXVCWSQAFC-LOWVWBTDSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@@]1(CO)CN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC[C@H]1O ZINC001157946493 776655032 /nfs/dbraw/zinc/65/50/32/776655032.db2.gz NWLCRXVCWSQAFC-LOWVWBTDSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@]1(CO)CN(C(=O)[C@H](N)Cc2c[nH]cn2)CC[C@H]1O ZINC001157946494 776655167 /nfs/dbraw/zinc/65/51/67/776655167.db2.gz NWLCRXVCWSQAFC-NQBHXWOUSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@]1(CO)CN(C(=O)[C@H](N)Cc2cnc[nH]2)CC[C@H]1O ZINC001157946494 776655169 /nfs/dbraw/zinc/65/51/69/776655169.db2.gz NWLCRXVCWSQAFC-NQBHXWOUSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCN(C)C(=O)C1)C(N)=O ZINC001130364809 776655247 /nfs/dbraw/zinc/65/52/47/776655247.db2.gz VHXCOVAOSHWOCX-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN COCc1nn(C)cc1C(=O)NCCNCC(N)=O ZINC001130445352 776655827 /nfs/dbraw/zinc/65/58/27/776655827.db2.gz JQJNWIUHYGWNRH-UHFFFAOYSA-N 0 3 269.305 -1.629 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCNC/C=C/Cl ZINC001130384333 776656131 /nfs/dbraw/zinc/65/61/31/776656131.db2.gz CTYSMBVSZVNHBC-NSCUHMNNSA-N 0 3 290.751 -1.303 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCn2cncc2C1 ZINC001130404124 776656272 /nfs/dbraw/zinc/65/62/72/776656272.db2.gz GPZJTDYSDYRRLT-VIFPVBQESA-N 0 3 265.317 -1.363 20 0 CAADHN CC[C@@H](F)CNCCNC(=O)CNC(=O)CNC(C)=O ZINC001130385054 776656624 /nfs/dbraw/zinc/65/66/24/776656624.db2.gz XPKUWRGCLJXXBH-SNVBAGLBSA-N 0 3 290.339 -1.307 20 0 CAADHN NC(=O)C(=O)NCc1c[nH]nc1[C@@H]1CCN(CCO)C1 ZINC001130418594 776656612 /nfs/dbraw/zinc/65/66/12/776656612.db2.gz SFSJSYYDSMXODF-MRVPVSSYSA-N 0 3 281.316 -1.707 20 0 CAADHN COCc1nn(C)cc1C(=O)NCCNCC(=O)N(C)C ZINC001130445277 776656616 /nfs/dbraw/zinc/65/66/16/776656616.db2.gz GVEQQLBMGVVGNQ-UHFFFAOYSA-N 0 3 297.359 -1.026 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001130441823 776656656 /nfs/dbraw/zinc/65/66/56/776656656.db2.gz JWIICVSLOMQNTJ-QMMMGPOBSA-N 0 3 296.331 -2.002 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001130481629 776657209 /nfs/dbraw/zinc/65/72/09/776657209.db2.gz XUGQTQGZVZJOLT-SNVBAGLBSA-N 0 3 279.344 -1.103 20 0 CAADHN CO[C@H]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001130499375 776657461 /nfs/dbraw/zinc/65/74/61/776657461.db2.gz DAYGGSOKNVTZOJ-IUCAKERBSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2nccn2C1 ZINC001130478337 776657891 /nfs/dbraw/zinc/65/78/91/776657891.db2.gz YISCQQBHGTZZDZ-JTQLQIEISA-N 0 3 279.344 -1.103 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CO[C@@H](C)C1 ZINC001130504903 776657911 /nfs/dbraw/zinc/65/79/11/776657911.db2.gz RFXKTQVGNXINLT-DTWKUNHWSA-N 0 3 286.332 -1.427 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001130480721 776657992 /nfs/dbraw/zinc/65/79/92/776657992.db2.gz AZOUPCZZDUYRQN-VIFPVBQESA-N 0 3 265.317 -1.363 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(N)=O ZINC001130445838 776658026 /nfs/dbraw/zinc/65/80/26/776658026.db2.gz WTCHWNHGWBGCBK-HTQZYQBOSA-N 0 3 296.331 -1.874 20 0 CAADHN CO[C@H]1CCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001130499373 776658036 /nfs/dbraw/zinc/65/80/36/776658036.db2.gz DAYGGSOKNVTZOJ-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CO[C@H](C)C1 ZINC001130504902 776658068 /nfs/dbraw/zinc/65/80/68/776658068.db2.gz RFXKTQVGNXINLT-BDAKNGLRSA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@@H]1C[C@H](C(=O)NCCNCCNS(C)(=O)=O)CO1 ZINC001130507300 776658163 /nfs/dbraw/zinc/65/81/63/776658163.db2.gz CRXRUFLMGRIROC-ZJUUUORDSA-N 0 3 293.389 -1.334 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)C(N)=O ZINC001130445839 776658179 /nfs/dbraw/zinc/65/81/79/776658179.db2.gz WTCHWNHGWBGCBK-JGVFFNPUSA-N 0 3 296.331 -1.874 20 0 CAADHN CN1CCN(CC(=O)NCCNCCF)CC1=O ZINC001130553479 776659112 /nfs/dbraw/zinc/65/91/12/776659112.db2.gz GWVHTMAPIAOELX-UHFFFAOYSA-N 0 3 260.313 -1.564 20 0 CAADHN CN1CCN(CC(=O)NCCNCC(N)=O)CC1=O ZINC001130554177 776659224 /nfs/dbraw/zinc/65/92/24/776659224.db2.gz YXQWIUMWCFZCMO-UHFFFAOYSA-N 0 3 271.321 -3.049 20 0 CAADHN CN1CCN(CC(=O)NCCN[C@@H]2CCNC2=O)CC1=O ZINC001130554125 776659520 /nfs/dbraw/zinc/65/95/20/776659520.db2.gz WZIXANIBUMCSRX-SNVBAGLBSA-N 0 3 297.359 -2.645 20 0 CAADHN Cn1cnn(CC(=O)NCCN[C@@H]2CCN(C)C2=O)c1=O ZINC001130587820 776660986 /nfs/dbraw/zinc/66/09/86/776660986.db2.gz BKIGQSBKNXLXMA-SECBINFHSA-N 0 3 296.331 -2.482 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@](C)(O)C1 ZINC001157998710 776661034 /nfs/dbraw/zinc/66/10/34/776661034.db2.gz ZJBWXGLHULSCDL-UBJUHAIHSA-N 0 3 286.332 -2.323 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001130611739 776662112 /nfs/dbraw/zinc/66/21/12/776662112.db2.gz HGCYOXCJALGZOD-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001130612092 776662173 /nfs/dbraw/zinc/66/21/73/776662173.db2.gz LUWJXSIDCFBWHM-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001130612090 776662181 /nfs/dbraw/zinc/66/21/81/776662181.db2.gz LUWJXSIDCFBWHM-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001130611457 776662259 /nfs/dbraw/zinc/66/22/59/776662259.db2.gz BUMFNZVUBIOKEA-QWRGUYRKSA-N 0 3 284.360 -1.699 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001130612233 776662295 /nfs/dbraw/zinc/66/22/95/776662295.db2.gz OORIBSIQHTXYSB-GFCCVEGCSA-N 0 3 298.387 -1.309 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1ncn(C)c1=O ZINC001130590916 776662307 /nfs/dbraw/zinc/66/23/07/776662307.db2.gz MISXHBPNRRDMTM-UHFFFAOYSA-N 0 3 284.320 -2.576 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCNCC(N)=O ZINC001130611883 776662360 /nfs/dbraw/zinc/66/23/60/776662360.db2.gz JOORLQHYQQCMLC-SECBINFHSA-N 0 3 258.322 -2.102 20 0 CAADHN CC[C@H](NCCNC(=O)CC1CS(=O)(=O)C1)C(N)=O ZINC001130581500 776662483 /nfs/dbraw/zinc/66/24/83/776662483.db2.gz SJMAUOYSPBPWEN-VIFPVBQESA-N 0 3 291.373 -1.609 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001130612093 776662507 /nfs/dbraw/zinc/66/25/07/776662507.db2.gz LUWJXSIDCFBWHM-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001130611458 776662790 /nfs/dbraw/zinc/66/27/90/776662790.db2.gz BUMFNZVUBIOKEA-WDEREUQCSA-N 0 3 284.360 -1.699 20 0 CAADHN C[C@H](NCCNC(=O)c1cnc2[nH]c(=O)[nH]c2c1)C(N)=O ZINC001130617836 776663821 /nfs/dbraw/zinc/66/38/21/776663821.db2.gz KEOUVOBKSBALSS-LURJTMIESA-N 0 3 292.299 -1.143 20 0 CAADHN CC[C@@H](NCCNC(=O)C(=O)NCC(F)F)C(N)=O ZINC001130642877 776663861 /nfs/dbraw/zinc/66/38/61/776663861.db2.gz GRRUKKDOPPCEMI-ZCFIWIBFSA-N 0 3 280.275 -1.663 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090488575 776664008 /nfs/dbraw/zinc/66/40/08/776664008.db2.gz FBUNLVIGFQZEMY-WDEREUQCSA-N 0 3 284.360 -2.011 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001130612436 776664045 /nfs/dbraw/zinc/66/40/45/776664045.db2.gz QQRFWHAJLLKOIW-VHSXEESVSA-N 0 3 272.349 -1.713 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC001130618120 776664070 /nfs/dbraw/zinc/66/40/70/776664070.db2.gz UVKXWSXDGLZPOT-UHFFFAOYSA-N 0 3 278.272 -1.532 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1COCCN1CC ZINC001130612581 776664098 /nfs/dbraw/zinc/66/40/98/776664098.db2.gz VPWZVYHFSZVCNA-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001090488570 776664159 /nfs/dbraw/zinc/66/41/59/776664159.db2.gz FBUNLVIGFQZEMY-GHMZBOCLSA-N 0 3 284.360 -2.011 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1COCCN1CC)C(N)=O ZINC001130615028 776664169 /nfs/dbraw/zinc/66/41/69/776664169.db2.gz HSIYPCVSIJYZMB-GHMZBOCLSA-N 0 3 286.376 -1.323 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001130612437 776664315 /nfs/dbraw/zinc/66/43/15/776664315.db2.gz QQRFWHAJLLKOIW-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN CN(C)Cc1cc(C(=O)NCCNCC(N)=O)no1 ZINC001130653865 776664390 /nfs/dbraw/zinc/66/43/90/776664390.db2.gz XVJDTVSQNRQGHY-UHFFFAOYSA-N 0 3 269.305 -1.459 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001130615940 776664460 /nfs/dbraw/zinc/66/44/60/776664460.db2.gz WDCAMOFRGLALNI-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(CN(C)C)on1 ZINC001130648985 776664488 /nfs/dbraw/zinc/66/44/88/776664488.db2.gz YIGZTELRGHGTOI-UHFFFAOYSA-N 0 3 283.332 -1.198 20 0 CAADHN C[C@@H]1C[C@@H](C(=O)NCCNCC(=O)NC2CC2)CC(=O)N1 ZINC001130670851 776665187 /nfs/dbraw/zinc/66/51/87/776665187.db2.gz TYPZNSYZXUOWNP-NXEZZACHSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CNCCNC(=O)C1CCC(C(N)=O)CC1 ZINC001130679843 776665407 /nfs/dbraw/zinc/66/54/07/776665407.db2.gz LQWYNGANBVVFOI-UHFFFAOYSA-N 0 3 284.360 -1.270 20 0 CAADHN C[C@H]1C[C@H](C(=O)NCCNCC(N)=O)CC(=O)N1 ZINC001130669115 776665462 /nfs/dbraw/zinc/66/54/62/776665462.db2.gz ASYVEFSWXRYIOE-YUMQZZPRSA-N 0 3 256.306 -1.908 20 0 CAADHN COCCN1CC[C@H](NC(=O)c2c[nH]c(=O)n2C)[C@@H](O)C1 ZINC001090489400 776665537 /nfs/dbraw/zinc/66/55/37/776665537.db2.gz KZOFLZVQLMDEEP-ONGXEEELSA-N 0 3 298.343 -1.063 20 0 CAADHN C[C@H]1C[C@H](C(=O)NCCNCC(=O)NC2CC2)CC(=O)N1 ZINC001130670852 776665546 /nfs/dbraw/zinc/66/55/46/776665546.db2.gz TYPZNSYZXUOWNP-UWVGGRQHSA-N 0 3 296.371 -1.115 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC001130670608 776665766 /nfs/dbraw/zinc/66/57/66/776665766.db2.gz PEFRLGJJDFZLPN-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN NC(=O)C1CCC(C(=O)NCCN[C@H]2CCNC2=O)CC1 ZINC001130679926 776665831 /nfs/dbraw/zinc/66/58/31/776665831.db2.gz OOSRDZBFUULCFH-ILDUYXDCSA-N 0 3 296.371 -1.128 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N[C@@H](C)C1 ZINC001130670609 776665851 /nfs/dbraw/zinc/66/58/51/776665851.db2.gz PEFRLGJJDFZLPN-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H]1C[C@H](C(=O)NCCNCC(=O)N(C)C)CC(=O)N1 ZINC001130669156 776665903 /nfs/dbraw/zinc/66/59/03/776665903.db2.gz BHFHBVYEKDHZTH-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc(CN(C)C)on1)C(N)=O ZINC001130645915 776665940 /nfs/dbraw/zinc/66/59/40/776665940.db2.gz XISPBXROBIHHFD-MRVPVSSYSA-N 0 3 283.332 -1.071 20 0 CAADHN C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC2CC2)CC(=O)N1 ZINC001130670853 776665952 /nfs/dbraw/zinc/66/59/52/776665952.db2.gz TYPZNSYZXUOWNP-VHSXEESVSA-N 0 3 296.371 -1.115 20 0 CAADHN CN(C)Cc1cc(C(=O)NCCN[C@@H]2CCNC2=O)no1 ZINC001130645464 776665984 /nfs/dbraw/zinc/66/59/84/776665984.db2.gz LPOSSWPWKIZDJK-SNVBAGLBSA-N 0 3 295.343 -1.056 20 0 CAADHN C[C@H]1C[C@@H](C(=O)NCCNCC(N)=O)CC(=O)N1 ZINC001130669113 776666037 /nfs/dbraw/zinc/66/60/37/776666037.db2.gz ASYVEFSWXRYIOE-JGVFFNPUSA-N 0 3 256.306 -1.908 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CCC(=O)NC1 ZINC001130702880 776666860 /nfs/dbraw/zinc/66/68/60/776666860.db2.gz XXCBRSBREWACRH-UWVGGRQHSA-N 0 3 282.344 -1.503 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2CCC(=O)NC2)C1=O ZINC001130705999 776666886 /nfs/dbraw/zinc/66/68/86/776666886.db2.gz RLCMPAYZBFNJNU-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC(=O)NC1)C(=O)NC(N)=O ZINC001130706162 776666893 /nfs/dbraw/zinc/66/68/93/776666893.db2.gz VOJVNLNROPTKRU-YUMQZZPRSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC(=O)NC1)C(=O)NC1CC1 ZINC001130705806 776666907 /nfs/dbraw/zinc/66/69/07/776666907.db2.gz MYNZPFKMVYXXBY-UWVGGRQHSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCC(=O)NC1)C(N)=O ZINC001130706045 776666966 /nfs/dbraw/zinc/66/69/66/776666966.db2.gz SNGFAQGOWPOZOZ-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130705754 776666980 /nfs/dbraw/zinc/66/69/80/776666980.db2.gz LTUILSJPMAQQAJ-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC(=O)NC1)C(=O)NC1CC1 ZINC001130705808 776667107 /nfs/dbraw/zinc/66/71/07/776667107.db2.gz MYNZPFKMVYXXBY-ZJUUUORDSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCC(=O)NC1)C(N)=O ZINC001130706047 776667197 /nfs/dbraw/zinc/66/71/97/776667197.db2.gz SNGFAQGOWPOZOZ-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130705756 776667256 /nfs/dbraw/zinc/66/72/56/776667256.db2.gz LTUILSJPMAQQAJ-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC(=O)NC1)C(=O)N(C)C ZINC001130705994 776667271 /nfs/dbraw/zinc/66/72/71/776667271.db2.gz RKUCQITYTSAPHD-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130702965 776667323 /nfs/dbraw/zinc/66/73/23/776667323.db2.gz ZKZOWSRHSHAECL-JTQLQIEISA-N 0 3 284.360 -1.255 20 0 CAADHN NC(=O)CNCCNC(=O)CCOC[C@H]1CCCO1 ZINC001130688755 776667458 /nfs/dbraw/zinc/66/74/58/776667458.db2.gz ZMLWVFGBYXPHGS-SNVBAGLBSA-N 0 3 273.333 -1.237 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCC(=O)NC1)C(N)=O ZINC001130706046 776667504 /nfs/dbraw/zinc/66/75/04/776667504.db2.gz SNGFAQGOWPOZOZ-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN CN(C)c1ccc(C(=O)NCCNCC(N)=O)cn1 ZINC001130715886 776668299 /nfs/dbraw/zinc/66/82/99/776668299.db2.gz PKVBMJPBORTPPI-UHFFFAOYSA-N 0 3 265.317 -1.048 20 0 CAADHN Cn1c(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)c[nH]c1=O ZINC001090492436 776668524 /nfs/dbraw/zinc/66/85/24/776668524.db2.gz JJWTYNLHGJFOFS-GXSJLCMTSA-N 0 3 298.343 -1.327 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130702645 776668552 /nfs/dbraw/zinc/66/85/52/776668552.db2.gz SBTIXJZOLITQDS-MRVPVSSYSA-N 0 3 299.331 -2.326 20 0 CAADHN Cn1c(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)c[nH]c1=O ZINC001090492437 776668576 /nfs/dbraw/zinc/66/85/76/776668576.db2.gz JJWTYNLHGJFOFS-KOLCDFICSA-N 0 3 298.343 -1.327 20 0 CAADHN COc1cc(C(=O)NCCNCC(=O)NC(N)=O)ccn1 ZINC001130710861 776668745 /nfs/dbraw/zinc/66/87/45/776668745.db2.gz HGPYMYJQORMLTI-UHFFFAOYSA-N 0 3 295.299 -1.396 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)NC2)C1=O ZINC001130702649 776668822 /nfs/dbraw/zinc/66/88/22/776668822.db2.gz SCUOJBUACUKXIH-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCC(=O)NC1)NC1CC1 ZINC001130702220 776668853 /nfs/dbraw/zinc/66/88/53/776668853.db2.gz ISJSBGHEGJLRJJ-VIFPVBQESA-N 0 3 282.344 -1.503 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130699815 776669031 /nfs/dbraw/zinc/66/90/31/776669031.db2.gz RZNZZCDMNADHNY-MRVPVSSYSA-N 0 3 256.306 -2.036 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1CCC(=O)NC1 ZINC001130702290 776669250 /nfs/dbraw/zinc/66/92/50/776669250.db2.gz KHADKGBKERZDBE-DTWKUNHWSA-N 0 3 296.327 -1.976 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@H]2CCC(=O)NC2)C1=O ZINC001130702652 776669295 /nfs/dbraw/zinc/66/92/95/776669295.db2.gz SCUOJBUACUKXIH-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCc1n[nH]cc1C(=O)NCCNCC(=O)NC(N)=O ZINC001130724084 776669313 /nfs/dbraw/zinc/66/93/13/776669313.db2.gz FQJGFLULGGWEQS-UHFFFAOYSA-N 0 3 282.304 -1.514 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC(=O)NC1)C(N)=O ZINC001130702276 776669399 /nfs/dbraw/zinc/66/93/99/776669399.db2.gz KASCNXWQNGNWEE-YUMQZZPRSA-N 0 3 256.306 -1.908 20 0 CAADHN NC(=O)CNCCNC(=O)c1n[nH]c2c1CCC2 ZINC001130739083 776670179 /nfs/dbraw/zinc/67/01/79/776670179.db2.gz YSLVTJHSONJLCU-UHFFFAOYSA-N 0 3 251.290 -1.297 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1CCCNC1=O ZINC001130784244 776673553 /nfs/dbraw/zinc/67/35/53/776673553.db2.gz JAVMNYOPRWBGTR-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN NC(=O)CNCCNC(=O)CN1CCCNC1=O ZINC001130784555 776673785 /nfs/dbraw/zinc/67/37/85/776673785.db2.gz YHQXKKSAMDOEJK-UHFFFAOYSA-N 0 3 257.294 -2.407 20 0 CAADHN O=C(CN1CCCNC1=O)NCCN[C@H]1CCNC1=O ZINC001130784415 776673839 /nfs/dbraw/zinc/67/38/39/776673839.db2.gz RBYARSZGPJGRRE-VIFPVBQESA-N 0 3 283.332 -2.004 20 0 CAADHN O=C(CN1CCCNC1=O)NCCNCC(=O)N1CCC1 ZINC001130781702 776673859 /nfs/dbraw/zinc/67/38/59/776673859.db2.gz RONLZYNEOPSOCM-UHFFFAOYSA-N 0 3 297.359 -1.660 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCCNC1=O)C(=O)N(C)C ZINC001130786972 776674003 /nfs/dbraw/zinc/67/40/03/776674003.db2.gz XLCMCWFTWOZSEQ-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccc(=O)n(C)c1 ZINC001130764155 776674028 /nfs/dbraw/zinc/67/40/28/776674028.db2.gz PYVHJFBAKZKIQV-UHFFFAOYSA-N 0 3 280.328 -1.159 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCCNC1=O)C(N)=O ZINC001130784453 776674079 /nfs/dbraw/zinc/67/40/79/776674079.db2.gz TZWJMHQERPLRBB-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1CCCNC1=O ZINC001130784526 776674114 /nfs/dbraw/zinc/67/41/14/776674114.db2.gz WRBORQZCUUHUSQ-UHFFFAOYSA-N 0 3 285.348 -1.756 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CCCCC1=O ZINC001130759242 776674205 /nfs/dbraw/zinc/67/42/05/776674205.db2.gz ISXRNVLLJDYVBU-UHFFFAOYSA-N 0 3 270.333 -1.549 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2ccc(=O)n(C)c2)C1=O ZINC001130768998 776674327 /nfs/dbraw/zinc/67/43/27/776674327.db2.gz NVMZJZWSSWHQMH-LLVKDONJSA-N 0 3 292.339 -1.065 20 0 CAADHN Cc1nc[nH]c(=O)c1CCC(=O)NCCNCC(N)=O ZINC001130766300 776674340 /nfs/dbraw/zinc/67/43/40/776674340.db2.gz FBYDBRXWJJVRLM-UHFFFAOYSA-N 0 3 281.316 -1.386 20 0 CAADHN O=C(CNCCNC(=O)CN1CCCCC1=O)NC1CC1 ZINC001130759325 776674354 /nfs/dbraw/zinc/67/43/54/776674354.db2.gz MVFKRONMZGUTEL-UHFFFAOYSA-N 0 3 296.371 -1.017 20 0 CAADHN O=C(CN1CCCNC1=O)NCCN[C@@H]1CCNC1=O ZINC001130784414 776674393 /nfs/dbraw/zinc/67/43/93/776674393.db2.gz RBYARSZGPJGRRE-SECBINFHSA-N 0 3 283.332 -2.004 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CN2CCCNC2=O)C1=O ZINC001130791030 776674429 /nfs/dbraw/zinc/67/44/29/776674429.db2.gz HDOQRJLKGJNICR-SNVBAGLBSA-N 0 3 297.359 -1.662 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CN1CCCNC1=O ZINC001130784410 776674484 /nfs/dbraw/zinc/67/44/84/776674484.db2.gz QYEACIOVABMNSV-UHFFFAOYSA-N 0 3 299.375 -1.368 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccc(=O)n(C)c1)C(N)=O ZINC001130769232 776674500 /nfs/dbraw/zinc/67/45/00/776674500.db2.gz ZETLLAPPMSNXRV-JTQLQIEISA-N 0 3 280.328 -1.031 20 0 CAADHN CC[C@H](NCCNC(=O)CN1CCCNC1=O)C(N)=O ZINC001130791880 776674557 /nfs/dbraw/zinc/67/45/57/776674557.db2.gz ZHUGRQPOTXBYLD-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN C[C@H](NCCNC(=O)c1cn2cccnc2n1)C(N)=O ZINC001130800033 776675163 /nfs/dbraw/zinc/67/51/63/776675163.db2.gz ADCRVPNATJAUDX-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ncnc2[nH]ccc21 ZINC001130853697 776675190 /nfs/dbraw/zinc/67/51/90/776675190.db2.gz KMECNVXZBZAKBQ-UHFFFAOYSA-N 0 3 276.300 -1.025 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cn2cccnc2n1 ZINC001130801002 776675366 /nfs/dbraw/zinc/67/53/66/776675366.db2.gz VFVGBDZAPFDVRE-SECBINFHSA-N 0 3 288.311 -1.063 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn2cccnc2n1)C(N)=O ZINC001130800032 776675451 /nfs/dbraw/zinc/67/54/51/776675451.db2.gz ADCRVPNATJAUDX-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cn2cccnc2n1 ZINC001130801003 776675466 /nfs/dbraw/zinc/67/54/66/776675466.db2.gz VFVGBDZAPFDVRE-VIFPVBQESA-N 0 3 288.311 -1.063 20 0 CAADHN NC(=O)CNCCNC(=O)c1cn2cccnc2n1 ZINC001130800248 776675644 /nfs/dbraw/zinc/67/56/44/776675644.db2.gz GBDVBJZSCRNOAS-UHFFFAOYSA-N 0 3 262.273 -1.466 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn2c1OCCC2)C(N)=O ZINC001130837930 776675674 /nfs/dbraw/zinc/67/56/74/776675674.db2.gz LBIQXHHFBFAGQN-MRVPVSSYSA-N 0 3 281.316 -1.141 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccnc2c1CC(=O)N2 ZINC001130819139 776675854 /nfs/dbraw/zinc/67/58/54/776675854.db2.gz HUEWEBZWEXQCCA-UHFFFAOYSA-N 0 3 291.311 -1.358 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn2cccnc2n1 ZINC001130800579 776675901 /nfs/dbraw/zinc/67/59/01/776675901.db2.gz MATNPVPYKOYIDY-UHFFFAOYSA-N 0 3 276.300 -1.205 20 0 CAADHN CCOc1nc(C(=O)NCCNCC(=O)NC(N)=O)co1 ZINC001130848191 776675918 /nfs/dbraw/zinc/67/59/18/776675918.db2.gz QZFHDKHWOGAZTK-UHFFFAOYSA-N 0 3 299.287 -1.412 20 0 CAADHN Cn1cncc1C(=O)NCCN[C@H]1CCNC1=O ZINC001130897069 776676750 /nfs/dbraw/zinc/67/67/50/776676750.db2.gz VBUDVZIWDHDJMF-QMMMGPOBSA-N 0 3 251.290 -1.372 20 0 CAADHN Cc1nnccc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001130877497 776677006 /nfs/dbraw/zinc/67/70/06/776677006.db2.gz UMYADAGBFQVUEV-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN Cn1cncc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001130897068 776677312 /nfs/dbraw/zinc/67/73/12/776677312.db2.gz VBUDVZIWDHDJMF-MRVPVSSYSA-N 0 3 251.290 -1.372 20 0 CAADHN Cc1nnccc1C(=O)NCCNCC(=O)NC(N)=O ZINC001130867752 776677375 /nfs/dbraw/zinc/67/73/75/776677375.db2.gz ORGIBMCPUHGETP-UHFFFAOYSA-N 0 3 280.288 -1.701 20 0 CAADHN Cc1nnccc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001130870443 776677692 /nfs/dbraw/zinc/67/76/92/776677692.db2.gz WGUGUXHRWGGPMC-SNVBAGLBSA-N 0 3 291.311 -1.090 20 0 CAADHN Cn1cncc1C(=O)NCCNCC(=O)NC(N)=O ZINC001130896640 776677790 /nfs/dbraw/zinc/67/77/90/776677790.db2.gz IPOSZCVSMXWUPI-UHFFFAOYSA-N 0 3 268.277 -2.066 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1cncn1C ZINC001130897030 776677807 /nfs/dbraw/zinc/67/78/07/776677807.db2.gz SIGWXXQLOUAUNU-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN Cc1nnccc1C(=O)NCCN[C@@H](C)C(N)=O ZINC001130870383 776677828 /nfs/dbraw/zinc/67/78/28/776677828.db2.gz TVOCFUXWCHCPPZ-QMMMGPOBSA-N 0 3 251.290 -1.022 20 0 CAADHN C[C@H](NCCNC(=O)c1cncn1C)C(=O)NC(N)=O ZINC001130903768 776678387 /nfs/dbraw/zinc/67/83/87/776678387.db2.gz XSNZLYHNBIPJIT-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130938819 776678736 /nfs/dbraw/zinc/67/87/36/776678736.db2.gz VBQWJXFHKTVPOS-UHFFFAOYSA-N 0 3 283.288 -2.599 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccc2ncnn21)C(N)=O ZINC001130905953 776678777 /nfs/dbraw/zinc/67/87/77/776678777.db2.gz BSXDILHNVMEWPO-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN Cn1cncc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001130898539 776679018 /nfs/dbraw/zinc/67/90/18/776679018.db2.gz CRPQHSDHLQDCND-MRVPVSSYSA-N 0 3 279.300 -1.455 20 0 CAADHN C[C@H](NCCNC(=O)c1cccc2ncnn21)C(N)=O ZINC001130905955 776679262 /nfs/dbraw/zinc/67/92/62/776679262.db2.gz BSXDILHNVMEWPO-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130938636 776679430 /nfs/dbraw/zinc/67/94/30/776679430.db2.gz OYRVUEKURUNWBJ-UHFFFAOYSA-N 0 3 297.315 -2.257 20 0 CAADHN NC(=O)NCCCCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001130958902 776679937 /nfs/dbraw/zinc/67/99/37/776679937.db2.gz XSDUOFSIXFANMJ-SNVBAGLBSA-N 0 3 299.375 -1.191 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCCCNC(N)=O ZINC001130970303 776680170 /nfs/dbraw/zinc/68/01/70/776680170.db2.gz PSEAMHSHZNIPSL-UHFFFAOYSA-N 0 3 287.364 -1.333 20 0 CAADHN O=C(CCN1C(=O)CCC1=O)NCCN[C@@H]1CCNC1=O ZINC001130994630 776680549 /nfs/dbraw/zinc/68/05/49/776680549.db2.gz KHMGDJQWXFTWSI-SECBINFHSA-N 0 3 296.327 -1.880 20 0 CAADHN CNC(=O)CNCCNC(=O)CCN1C(=O)CCC1=O ZINC001130994707 776680585 /nfs/dbraw/zinc/68/05/85/776680585.db2.gz NPVWMWHKNMUXTJ-UHFFFAOYSA-N 0 3 284.316 -2.023 20 0 CAADHN NC(=O)NCCCCC(=O)NCCNCC(=O)NC1CC1 ZINC001130970233 776680645 /nfs/dbraw/zinc/68/06/45/776680645.db2.gz MUAOPZZYPFWNHK-UHFFFAOYSA-N 0 3 299.375 -1.191 20 0 CAADHN NC(=O)CNCCNC(=O)CCCCNC(N)=O ZINC001130970340 776680907 /nfs/dbraw/zinc/68/09/07/776680907.db2.gz RKPGYSUNNCCGIX-UHFFFAOYSA-N 0 3 259.310 -1.984 20 0 CAADHN C[C@@H](NCCNC(=O)CCN1C(=O)CCC1=O)C(N)=O ZINC001130994646 776680966 /nfs/dbraw/zinc/68/09/66/776680966.db2.gz KXFIASCTACFRJY-MRVPVSSYSA-N 0 3 284.316 -1.895 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCN(C(N)=O)C1)C(N)=O ZINC001131010932 776681758 /nfs/dbraw/zinc/68/17/58/776681758.db2.gz IXGULCYIJVFNCH-RKDXNWHRSA-N 0 3 285.348 -1.643 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCS(=O)(=O)C1)C(N)=O ZINC001130998319 776681802 /nfs/dbraw/zinc/68/18/02/776681802.db2.gz ODIWMJYHHDFYGJ-IUCAKERBSA-N 0 3 291.373 -1.609 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCCN(C(N)=O)C1)C(N)=O ZINC001131025286 776681873 /nfs/dbraw/zinc/68/18/73/776681873.db2.gz LGUGLKMVLNTIMM-NXEZZACHSA-N 0 3 299.375 -1.253 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](NCC(=O)NCC(N)=O)C1 ZINC001170530001 776681880 /nfs/dbraw/zinc/68/18/80/776681880.db2.gz SJBDMQUPGYVBQZ-HTQZYQBOSA-N 0 3 257.290 -1.481 20 0 CAADHN NC(=O)N1CCC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001131011437 776681915 /nfs/dbraw/zinc/68/19/15/776681915.db2.gz YRHGRPXKLUOTJX-NXEZZACHSA-N 0 3 297.359 -1.629 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131008678 776681970 /nfs/dbraw/zinc/68/19/70/776681970.db2.gz YWIGBEIPLYSFOK-VIFPVBQESA-N 0 3 285.348 -1.771 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131025395 776682138 /nfs/dbraw/zinc/68/21/38/776682138.db2.gz NTPCHQKISJFEQR-VHSXEESVSA-N 0 3 299.375 -1.383 20 0 CAADHN NC(=O)N1CCC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001131011439 776682271 /nfs/dbraw/zinc/68/22/71/776682271.db2.gz YRHGRPXKLUOTJX-VHSXEESVSA-N 0 3 297.359 -1.629 20 0 CAADHN CC(=O)N1CCC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001131014467 776682357 /nfs/dbraw/zinc/68/23/57/776682357.db2.gz XTFHHDJQPRUCJX-NWDGAFQWSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCN(C(N)=O)C1)C(N)=O ZINC001131010930 776682482 /nfs/dbraw/zinc/68/24/82/776682482.db2.gz IXGULCYIJVFNCH-DTWKUNHWSA-N 0 3 285.348 -1.643 20 0 CAADHN NC(=O)N1CCC[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001131011440 776682544 /nfs/dbraw/zinc/68/25/44/776682544.db2.gz YRHGRPXKLUOTJX-ZJUUUORDSA-N 0 3 297.359 -1.629 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131010866 776682578 /nfs/dbraw/zinc/68/25/78/776682578.db2.gz GCDBVBJTCHMLKJ-JTQLQIEISA-N 0 3 299.375 -1.429 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131099521 776683161 /nfs/dbraw/zinc/68/31/61/776683161.db2.gz JGZZBLJMXOBILQ-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCCC(=O)N1)C(N)=O ZINC001131097511 776683112 /nfs/dbraw/zinc/68/31/12/776683112.db2.gz PEQQTSYYPSPKEO-DTWKUNHWSA-N 0 3 270.333 -1.375 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131099522 776683481 /nfs/dbraw/zinc/68/34/81/776683481.db2.gz JGZZBLJMXOBILQ-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(C(N)=O)o1 ZINC001131101231 776683609 /nfs/dbraw/zinc/68/36/09/776683609.db2.gz CKYHBVOJFXOXLA-UHFFFAOYSA-N 0 3 254.246 -1.817 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001131099506 776683686 /nfs/dbraw/zinc/68/36/86/776683686.db2.gz IWINZKDUBZBSKO-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@@H]2CCCC(=O)N2)C1=O ZINC001131099010 776683752 /nfs/dbraw/zinc/68/37/52/776683752.db2.gz BOERUCKWBCBTFR-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131099519 776683817 /nfs/dbraw/zinc/68/38/17/776683817.db2.gz JGZZBLJMXOBILQ-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131100155 776683849 /nfs/dbraw/zinc/68/38/49/776683849.db2.gz QBDPEIAAFAHMNK-SECBINFHSA-N 0 3 270.333 -1.503 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccc(C(N)=O)o1 ZINC001131101775 776683886 /nfs/dbraw/zinc/68/38/86/776683886.db2.gz UJAPRDMQXMWHGU-UHFFFAOYSA-N 0 3 282.300 -1.214 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccc(C(N)=O)o1 ZINC001131101565 776683908 /nfs/dbraw/zinc/68/39/08/776683908.db2.gz LHSNLBYNKQBKPA-UHFFFAOYSA-N 0 3 297.271 -2.107 20 0 CAADHN COc1ccc(C(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001131060422 776684049 /nfs/dbraw/zinc/68/40/49/776684049.db2.gz NXIZBXQMWBMDSP-UHFFFAOYSA-N 0 3 295.299 -1.396 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(C(N)=O)o1)C(N)=O ZINC001131101564 776684156 /nfs/dbraw/zinc/68/41/56/776684156.db2.gz LHMGNAOXEUSMQA-ZCFIWIBFSA-N 0 3 268.273 -1.428 20 0 CAADHN COc1ccc(C(=O)NCCNCC(N)=O)cn1 ZINC001131060063 776684204 /nfs/dbraw/zinc/68/42/04/776684204.db2.gz CAUHUEBBZJXHDN-UHFFFAOYSA-N 0 3 252.274 -1.105 20 0 CAADHN Cc1cc(C)n(CC(=O)NCCNCC(N)=O)n1 ZINC001131066286 776684290 /nfs/dbraw/zinc/68/42/90/776684290.db2.gz OJGSCDAZTUJSSI-UHFFFAOYSA-N 0 3 253.306 -1.309 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@H]2CCNC2=O)o1 ZINC001131101988 776684756 /nfs/dbraw/zinc/68/47/56/776684756.db2.gz ZEBVQIRCEZHZHV-ZETCQYMHSA-N 0 3 280.284 -1.414 20 0 CAADHN O=C(C[C@@H]1CCCC(=O)N1)NCCNCC(=O)N1CCC1 ZINC001131104077 776684902 /nfs/dbraw/zinc/68/49/02/776684902.db2.gz NMKNZMSVVPTCNP-NSHDSACASA-N 0 3 296.371 -1.017 20 0 CAADHN COc1cnc(C(=O)NCCNCC(N)=O)nc1 ZINC001131123877 776684942 /nfs/dbraw/zinc/68/49/42/776684942.db2.gz NPKHFDGVBGTWKH-UHFFFAOYSA-N 0 3 253.262 -1.710 20 0 CAADHN COc1cc(C(=O)NCCN[C@H]2CCNC2=O)nn1C ZINC001131124907 776684970 /nfs/dbraw/zinc/68/49/70/776684970.db2.gz LFFGUHNSCJJQRE-QMMMGPOBSA-N 0 3 281.316 -1.363 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@H]1CCCC(=O)N1 ZINC001131107230 776684976 /nfs/dbraw/zinc/68/49/76/776684976.db2.gz MOVIPUIAXMTWNA-SNVBAGLBSA-N 0 3 284.360 -1.113 20 0 CAADHN COc1cc(C(=O)NCCNCC(=O)N(C)C)nn1C ZINC001131125172 776685144 /nfs/dbraw/zinc/68/51/44/776685144.db2.gz XOAMOHCSDAKDMI-UHFFFAOYSA-N 0 3 283.332 -1.164 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cc(OC)n(C)n1 ZINC001131124994 776685194 /nfs/dbraw/zinc/68/51/94/776685194.db2.gz OPVUBLZTCUCKIG-UHFFFAOYSA-N 0 3 283.332 -1.116 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@H]2CCCNC2=O)o1 ZINC001131101974 776685222 /nfs/dbraw/zinc/68/52/22/776685222.db2.gz YUIJIGRNBFBOHJ-QMMMGPOBSA-N 0 3 294.311 -1.024 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ncc(OC)cn1 ZINC001131127666 776685294 /nfs/dbraw/zinc/68/52/94/776685294.db2.gz XQURRXFOUORMBE-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@@H]2CCNC2=O)o1 ZINC001131101987 776685300 /nfs/dbraw/zinc/68/53/00/776685300.db2.gz ZEBVQIRCEZHZHV-SSDOTTSWSA-N 0 3 280.284 -1.414 20 0 CAADHN COc1cc(C(=O)NCCN[C@H]2CCN(C)C2=O)nn1C ZINC001131130063 776685336 /nfs/dbraw/zinc/68/53/36/776685336.db2.gz VQCDEWUQZPORGU-VIFPVBQESA-N 0 3 295.343 -1.021 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ncc(OC)cn1 ZINC001131122382 776685438 /nfs/dbraw/zinc/68/54/38/776685438.db2.gz WNENCKNVXUXSTE-UHFFFAOYSA-N 0 3 267.289 -1.449 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccc(C(N)=O)o1 ZINC001131101911 776685533 /nfs/dbraw/zinc/68/55/33/776685533.db2.gz VRPGCSCCLZYPTL-UHFFFAOYSA-N 0 3 282.300 -1.166 20 0 CAADHN COc1cnc(C(=O)NCCN[C@H](C)C(N)=O)nc1 ZINC001131123602 776685560 /nfs/dbraw/zinc/68/55/60/776685560.db2.gz FORASJCMTGGXOI-SSDOTTSWSA-N 0 3 267.289 -1.322 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cn(C)ccc1=O)C(N)=O ZINC001131161925 776686358 /nfs/dbraw/zinc/68/63/58/776686358.db2.gz JJUPHHBUYJPTNC-SNVBAGLBSA-N 0 3 280.328 -1.031 20 0 CAADHN COCCn1ccc(C(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001131153531 776686372 /nfs/dbraw/zinc/68/63/72/776686372.db2.gz MYRGTDXFNVMVAD-VIFPVBQESA-N 0 3 283.332 -1.277 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cn(C)ccc1=O ZINC001131162161 776686513 /nfs/dbraw/zinc/68/65/13/776686513.db2.gz UCNUSVMMJUIZMG-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN Cn1ccc(=O)c(C(=O)NCCNCC(=O)NC(N)=O)c1 ZINC001131161870 776686579 /nfs/dbraw/zinc/68/65/79/776686579.db2.gz HFWCLIUBYLUYJE-UHFFFAOYSA-N 0 3 295.299 -2.100 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccnc2n[nH]nc21 ZINC001131168425 776686642 /nfs/dbraw/zinc/68/66/42/776686642.db2.gz DNHDDRHHURYFOF-UHFFFAOYSA-N 0 3 277.288 -1.582 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccnc2n[nH]nc21 ZINC001131173720 776686658 /nfs/dbraw/zinc/68/66/58/776686658.db2.gz WFZAYANJZZKUKH-ZETCQYMHSA-N 0 3 291.315 -1.193 20 0 CAADHN COCCn1ccc(C(=O)NCCNCC(N)=O)n1 ZINC001131153444 776686744 /nfs/dbraw/zinc/68/67/44/776686744.db2.gz IUUVHNOAAZLOIW-UHFFFAOYSA-N 0 3 269.305 -1.666 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccnc2n[nH]nc21)C(N)=O ZINC001131173673 776686819 /nfs/dbraw/zinc/68/68/19/776686819.db2.gz VCNWNMLYGMZFOG-QMMMGPOBSA-N 0 3 291.315 -1.064 20 0 CAADHN COc1nccc(C(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001131187830 776686849 /nfs/dbraw/zinc/68/68/49/776686849.db2.gz COQURQAQGOQAAP-SSDOTTSWSA-N 0 3 267.289 -1.322 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccc2nnnn2c1 ZINC001131278852 776688052 /nfs/dbraw/zinc/68/80/52/776688052.db2.gz POKCHJUGDJBKRY-QMMMGPOBSA-N 0 3 291.315 -1.422 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@]12CCC[C@H]1OCC2 ZINC001131234431 776688248 /nfs/dbraw/zinc/68/82/48/776688248.db2.gz MOJICRDEZVSIAQ-RNCFNFMXSA-N 0 3 298.343 -1.154 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccc2nnnn2c1 ZINC001131278851 776688289 /nfs/dbraw/zinc/68/82/89/776688289.db2.gz POKCHJUGDJBKRY-MRVPVSSYSA-N 0 3 291.315 -1.422 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cc2n(n1)CCCO2 ZINC001131181834 776688360 /nfs/dbraw/zinc/68/83/60/776688360.db2.gz LGGMMDCTFUFUOX-VIFPVBQESA-N 0 3 293.327 -1.127 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@H](C)C(N)=O)n(C)n1 ZINC001131287324 776688476 /nfs/dbraw/zinc/68/84/76/776688476.db2.gz RYFKGLFFMQFCBK-SECBINFHSA-N 0 3 267.333 -1.149 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@@H]2CCNC2=O)n(C)n1 ZINC001131285101 776688637 /nfs/dbraw/zinc/68/86/37/776688637.db2.gz ZZLNEQQATSRXJC-LLVKDONJSA-N 0 3 279.344 -1.135 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnc2nccn2c1 ZINC001131346864 776689114 /nfs/dbraw/zinc/68/91/14/776689114.db2.gz GBVWAHPNJYZYSA-UHFFFAOYSA-N 0 3 262.273 -1.466 20 0 CAADHN COc1c[nH]c(C(=O)NCCN[C@@H]2CCNC2=O)cc1=O ZINC001131360355 776689205 /nfs/dbraw/zinc/68/92/05/776689205.db2.gz AFBGLMUSOATCOA-MRVPVSSYSA-N 0 3 294.311 -1.409 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C1(COC)CC1 ZINC001131323380 776689322 /nfs/dbraw/zinc/68/93/22/776689322.db2.gz ATUSKQBESLIGPX-UHFFFAOYSA-N 0 3 286.332 -1.426 20 0 CAADHN CCCN1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090500022 776689402 /nfs/dbraw/zinc/68/94/02/776689402.db2.gz LTBNXYJMOUXMDP-DTWKUNHWSA-N 0 3 268.321 -1.215 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1cncnc1)C(N)=O ZINC001131348881 776689557 /nfs/dbraw/zinc/68/95/57/776689557.db2.gz RPLVZTPHNOTWSG-SECBINFHSA-N 0 3 265.317 -1.011 20 0 CAADHN COCC1(C(=O)NCCNCCNS(C)(=O)=O)CC1 ZINC001131326109 776689730 /nfs/dbraw/zinc/68/97/30/776689730.db2.gz JCPGFICFEQRPCX-UHFFFAOYSA-N 0 3 293.389 -1.332 20 0 CAADHN COCC1(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001131322121 776689774 /nfs/dbraw/zinc/68/97/74/776689774.db2.gz ZAELYTDHYCFICQ-QMMMGPOBSA-N 0 3 286.332 -1.298 20 0 CAADHN COc1c[nH]c(C(=O)NCCNCC(=O)N(C)C)cc1=O ZINC001131360701 776689836 /nfs/dbraw/zinc/68/98/36/776689836.db2.gz KQFSGIWOEVKVLT-UHFFFAOYSA-N 0 3 296.327 -1.209 20 0 CAADHN COc1coc(C(=O)NCCN[C@H]2CCNC2=O)cc1=O ZINC001131357938 776689847 /nfs/dbraw/zinc/68/98/47/776689847.db2.gz OVJOMCQJNGAZCF-QMMMGPOBSA-N 0 3 295.295 -1.144 20 0 CAADHN CC(C)N1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090500006 776689902 /nfs/dbraw/zinc/68/99/02/776689902.db2.gz LMZVUZLCKSLCIO-DTWKUNHWSA-N 0 3 268.321 -1.217 20 0 CAADHN COc1coc(C(=O)NCCN[C@@H]2CCNC2=O)cc1=O ZINC001131357937 776689919 /nfs/dbraw/zinc/68/99/19/776689919.db2.gz OVJOMCQJNGAZCF-MRVPVSSYSA-N 0 3 295.295 -1.144 20 0 CAADHN COCC(C)(C)C(=O)NCCNCCNS(C)(=O)=O ZINC001131318380 776689997 /nfs/dbraw/zinc/68/99/97/776689997.db2.gz XECREWAJORPNJV-UHFFFAOYSA-N 0 3 295.405 -1.086 20 0 CAADHN NC(=O)CNCCNC(=O)CCc1cncnc1 ZINC001131348837 776690007 /nfs/dbraw/zinc/69/00/07/776690007.db2.gz POHHZCHDPZFSDE-UHFFFAOYSA-N 0 3 251.290 -1.400 20 0 CAADHN COc1coc(C(=O)NCCN[C@H](C)C(N)=O)cc1=O ZINC001131357562 776690061 /nfs/dbraw/zinc/69/00/61/776690061.db2.gz BLLAABLCQKUJRU-SSDOTTSWSA-N 0 3 283.284 -1.158 20 0 CAADHN CC(C)N1CC[C@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090500007 776690145 /nfs/dbraw/zinc/69/01/45/776690145.db2.gz LMZVUZLCKSLCIO-IUCAKERBSA-N 0 3 268.321 -1.217 20 0 CAADHN COCC1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001131323843 776690077 /nfs/dbraw/zinc/69/00/77/776690077.db2.gz WXNVKNLLZMFDNA-SECBINFHSA-N 0 3 283.328 -1.076 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnc2nccn2c1 ZINC001131344952 776690107 /nfs/dbraw/zinc/69/01/07/776690107.db2.gz UXBSFWSMZXOOEI-UHFFFAOYSA-N 0 3 276.300 -1.205 20 0 CAADHN Cc1cncn1CC(=O)NCCNCC(=O)NC(N)=O ZINC001131380426 776691049 /nfs/dbraw/zinc/69/10/49/776691049.db2.gz LJUJJFPZKQLSPA-UHFFFAOYSA-N 0 3 282.304 -1.908 20 0 CAADHN NC(=O)CNCCNC(=O)Cc1ccc(=O)[nH]c1 ZINC001131459152 776691288 /nfs/dbraw/zinc/69/12/88/776691288.db2.gz UGKPGDXTHIAJFR-UHFFFAOYSA-N 0 3 252.274 -1.479 20 0 CAADHN Cc1cncn1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001131380738 776691474 /nfs/dbraw/zinc/69/14/74/776691474.db2.gz YUCWWSCPCOXIGD-SNVBAGLBSA-N 0 3 265.317 -1.214 20 0 CAADHN CCOc1cc(C(=O)NCCNCC(N)=O)on1 ZINC001131415370 776691539 /nfs/dbraw/zinc/69/15/39/776691539.db2.gz VKCQXOHUIIQEKZ-UHFFFAOYSA-N 0 3 256.262 -1.122 20 0 CAADHN CCOc1cc(C(=O)NCCNCC(=O)NC(N)=O)on1 ZINC001131414925 776691574 /nfs/dbraw/zinc/69/15/74/776691574.db2.gz ADPIRJJUWAEZNV-UHFFFAOYSA-N 0 3 299.287 -1.412 20 0 CAADHN O=C(Cc1ccc(=O)[nH]c1)NCCN[C@@H]1CCNC1=O ZINC001131459343 776691584 /nfs/dbraw/zinc/69/15/84/776691584.db2.gz WCXJYPQFWBBUEC-SNVBAGLBSA-N 0 3 278.312 -1.076 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001131499608 776691679 /nfs/dbraw/zinc/69/16/79/776691679.db2.gz PFCVJWOPSPLTDE-ATZCPNFKSA-N 0 3 298.343 -1.298 20 0 CAADHN Cc1cncn1CC(=O)NCCNCCS(C)(=O)=O ZINC001131380373 776691737 /nfs/dbraw/zinc/69/17/37/776691737.db2.gz JXKDYAUIVQQOJS-UHFFFAOYSA-N 0 3 288.373 -1.058 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnc2c(c1)nnn2C ZINC001131458652 776692181 /nfs/dbraw/zinc/69/21/81/776692181.db2.gz FEQUKHVJISGAIR-UHFFFAOYSA-N 0 3 291.315 -1.571 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001131504170 776692285 /nfs/dbraw/zinc/69/22/85/776692285.db2.gz PCMULJGGYYTONL-SNVBAGLBSA-N 0 3 294.359 -1.318 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1ncc2cccnc21 ZINC001131496968 776692467 /nfs/dbraw/zinc/69/24/67/776692467.db2.gz HVUFWHXTSDSNAK-UHFFFAOYSA-N 0 3 290.327 -1.117 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cn(C)c(=O)cn1 ZINC001131536167 776692877 /nfs/dbraw/zinc/69/28/77/776692877.db2.gz GCZSDSXUTONZAJ-UHFFFAOYSA-N 0 3 281.316 -1.764 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131517744 776692979 /nfs/dbraw/zinc/69/29/79/776692979.db2.gz ZZWXCHSGFDCOSD-BIIVNPBRSA-N 0 3 296.327 -1.690 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C(N)=O ZINC001131519203 776693088 /nfs/dbraw/zinc/69/30/88/776693088.db2.gz AHVPOHGWHRTFOM-UUFBCVLASA-N 0 3 267.329 -1.011 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1cn(C)c(=O)cn1 ZINC001131536396 776693118 /nfs/dbraw/zinc/69/31/18/776693118.db2.gz IPJAHDLQTDFBKI-UHFFFAOYSA-N 0 3 295.343 -1.376 20 0 CAADHN CC[C@H](F)CNCCNC(=O)CNS(=O)(=O)NC ZINC001131831729 776705699 /nfs/dbraw/zinc/70/56/99/776705699.db2.gz NXPVDFLTGHBTQV-QMMMGPOBSA-N 0 3 284.357 -1.506 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@H](C)CO1 ZINC001131527722 776693257 /nfs/dbraw/zinc/69/32/57/776693257.db2.gz ZXUSOBXPGBFVED-RKDXNWHRSA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@H]1CO[C@@H](C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001131527710 776693318 /nfs/dbraw/zinc/69/33/18/776693318.db2.gz ZVTTYIBTFHTDEW-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1cn(C)c(=O)cn1 ZINC001131536163 776693359 /nfs/dbraw/zinc/69/33/59/776693359.db2.gz GBGYELVEACRILR-UHFFFAOYSA-N 0 3 295.343 -1.374 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H](C)CO1 ZINC001131527721 776693560 /nfs/dbraw/zinc/69/35/60/776693560.db2.gz ZXUSOBXPGBFVED-IUCAKERBSA-N 0 3 286.332 -1.427 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCCNC2=O)ncc1=O ZINC001131537093 776693570 /nfs/dbraw/zinc/69/35/70/776693570.db2.gz WCFKQGLZSRXYLL-VIFPVBQESA-N 0 3 293.327 -1.622 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001131527719 776693721 /nfs/dbraw/zinc/69/37/21/776693721.db2.gz ZXUSOBXPGBFVED-BDAKNGLRSA-N 0 3 286.332 -1.427 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cn(C)c(=O)cn1 ZINC001131536175 776693733 /nfs/dbraw/zinc/69/37/33/776693733.db2.gz GHQVAFYSMBCLHE-UHFFFAOYSA-N 0 3 281.316 -1.812 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1cn(C)c(=O)cn1 ZINC001131545642 776693786 /nfs/dbraw/zinc/69/37/86/776693786.db2.gz WOZRBJTWWYNRNK-UHFFFAOYSA-N 0 3 295.343 -1.422 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCNC2=O)ncc1=O ZINC001131536609 776693949 /nfs/dbraw/zinc/69/39/49/776693949.db2.gz LJRRATQLMXYZKR-MRVPVSSYSA-N 0 3 279.300 -2.012 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCNC2=O)ncc1=O ZINC001131536610 776694107 /nfs/dbraw/zinc/69/41/07/776694107.db2.gz LJRRATQLMXYZKR-QMMMGPOBSA-N 0 3 279.300 -2.012 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cn(C)c(=O)cn2)C1=O ZINC001131539508 776694701 /nfs/dbraw/zinc/69/47/01/776694701.db2.gz NQPNEMYDFYJSAN-VIFPVBQESA-N 0 3 293.327 -1.670 20 0 CAADHN Cn1nnc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090501292 776694845 /nfs/dbraw/zinc/69/48/45/776694845.db2.gz WQQXWTMOWPHEHQ-IUCAKERBSA-N 0 3 284.320 -2.243 20 0 CAADHN CCc1cc(CC(=O)NCCNCC(N)=O)n(C)n1 ZINC001131592718 776694921 /nfs/dbraw/zinc/69/49/21/776694921.db2.gz SDKUWAPFWQJQCB-UHFFFAOYSA-N 0 3 267.333 -1.284 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)O[C@@]2(CCN(CCO)C2)C1 ZINC001131624100 776695039 /nfs/dbraw/zinc/69/50/39/776695039.db2.gz GPJBVIAYWUQHGB-BXUZGUMPSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)c(=O)cn1)C(=O)N(C)C ZINC001131539658 776695125 /nfs/dbraw/zinc/69/51/25/776695125.db2.gz OUQQEWVAWVVXQD-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN CCc1cc(CC(=O)NCCNCC(=O)NC)n(C)n1 ZINC001131594652 776695187 /nfs/dbraw/zinc/69/51/87/776695187.db2.gz BGRZZWKJLBBTTJ-UHFFFAOYSA-N 0 3 281.360 -1.023 20 0 CAADHN CC[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001131579757 776695245 /nfs/dbraw/zinc/69/52/45/776695245.db2.gz WYZSDGKOUQBWQO-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN CCN1CC[C@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090501513 776695901 /nfs/dbraw/zinc/69/59/01/776695901.db2.gz ZHCNCEXYMVQUKI-JGVFFNPUSA-N 0 3 254.294 -1.605 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131641030 776696585 /nfs/dbraw/zinc/69/65/85/776696585.db2.gz GDRIISIOLDCEGS-GMXVVIOVSA-N 0 3 299.371 -1.120 20 0 CAADHN Cn1ccnc1CCC(=O)NCCNCC(N)=O ZINC001131640217 776696651 /nfs/dbraw/zinc/69/66/51/776696651.db2.gz YIFGIMJVEQFXCS-UHFFFAOYSA-N 0 3 253.306 -1.456 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1nccn1C)C(N)=O ZINC001131641239 776696674 /nfs/dbraw/zinc/69/66/74/776696674.db2.gz KUPBLWVJSCLKGW-SECBINFHSA-N 0 3 267.333 -1.068 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131641254 776696684 /nfs/dbraw/zinc/69/66/84/776696684.db2.gz LMCBJAAYKUPGAM-ATZCPNFKSA-N 0 3 271.317 -1.771 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2nc(C)nn2C1 ZINC001131635875 776696889 /nfs/dbraw/zinc/69/68/89/776696889.db2.gz ATWOEVDXACEVJG-JTQLQIEISA-N 0 3 294.359 -1.399 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(N)=O ZINC001131644850 776697065 /nfs/dbraw/zinc/69/70/65/776697065.db2.gz JZFRADXSCLAAMQ-VPOLOUISSA-N 0 3 285.344 -1.383 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C(N)=O ZINC001131644851 776697220 /nfs/dbraw/zinc/69/72/20/776697220.db2.gz JZFRADXSCLAAMQ-XWLWVQCSSA-N 0 3 285.344 -1.383 20 0 CAADHN Cc1nc2n(n1)C[C@@H](C(=O)NCCN[C@H](C)C(N)=O)CC2 ZINC001131636773 776697236 /nfs/dbraw/zinc/69/72/36/776697236.db2.gz PJNZZPQLEAOBLO-SCZZXKLOSA-N 0 3 294.359 -1.271 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)O[C@@]2(CCN(CCO)C2)C1 ZINC001131651805 776697306 /nfs/dbraw/zinc/69/73/06/776697306.db2.gz BFMYKMYYFJLWDU-BXUZGUMPSA-N 0 3 299.371 -1.193 20 0 CAADHN COC[C@@]1(C(=O)NCCNCC(N)=O)CCOC1 ZINC001131902052 776708773 /nfs/dbraw/zinc/70/87/73/776708773.db2.gz IZZPIAGEFJWWEM-NSHDSACASA-N 0 3 259.306 -1.769 20 0 CAADHN NCc1cnnn1-c1ncc(S(N)(=O)=O)cc1F ZINC001158426658 776697439 /nfs/dbraw/zinc/69/74/39/776697439.db2.gz BXEHBDCKOGNUPL-UHFFFAOYSA-N 0 3 272.265 -1.093 20 0 CAADHN Cc1nc2n(n1)C[C@H](C(=O)NCCN[C@@H](C)C(N)=O)CC2 ZINC001131636774 776697475 /nfs/dbraw/zinc/69/74/75/776697475.db2.gz PJNZZPQLEAOBLO-WCBMZHEXSA-N 0 3 294.359 -1.271 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CNC(=O)C1)C(=O)NC1CC1 ZINC001131680134 776697517 /nfs/dbraw/zinc/69/75/17/776697517.db2.gz DSDDAGRLRJYZJD-XPTSAGLGSA-N 0 3 296.371 -1.115 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cc1cn(CC)nn1 ZINC001131626659 776697540 /nfs/dbraw/zinc/69/75/40/776697540.db2.gz CYZMBTTZCHFLJQ-UHFFFAOYSA-N 0 3 282.348 -1.318 20 0 CAADHN CC[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC)CC(=O)N1 ZINC001131672614 776697598 /nfs/dbraw/zinc/69/75/98/776697598.db2.gz XTWFCUXAXKADQA-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN CCn1cc(CC(=O)NCCNCC(N)=O)nn1 ZINC001131626685 776697623 /nfs/dbraw/zinc/69/76/23/776697623.db2.gz FKTRUKRNXIYDJO-UHFFFAOYSA-N 0 3 254.294 -1.968 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1csnn1 ZINC001131979473 776711000 /nfs/dbraw/zinc/71/10/00/776711000.db2.gz PLWKICSUEZAIDQ-LURJTMIESA-N 0 3 257.319 -1.008 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131684256 776698417 /nfs/dbraw/zinc/69/84/17/776698417.db2.gz DDPFFXKUOPFGKY-LBPRGKRZSA-N 0 3 270.333 -1.646 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NC(N)=O)CNC(=O)C1 ZINC001131685380 776698427 /nfs/dbraw/zinc/69/84/27/776698427.db2.gz UOHCIDSPTWERNN-NSHDSACASA-N 0 3 285.304 -2.587 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CNC(=O)C1 ZINC001131685796 776698542 /nfs/dbraw/zinc/69/85/42/776698542.db2.gz YSPLYGYTHAYNMA-SDBXPKJASA-N 0 3 296.327 -1.976 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CNC(=O)C1)C(N)=O ZINC001131681329 776698579 /nfs/dbraw/zinc/69/85/79/776698579.db2.gz ZSYALANLOQLABY-CPCISQLKSA-N 0 3 256.306 -1.908 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131685093 776698603 /nfs/dbraw/zinc/69/86/03/776698603.db2.gz QLOWDESHXNSEEB-CYBMUJFWSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H]1OCC[C@@]1(C)C(=O)NCCNCC(=O)NC(N)=O ZINC001131685951 776698606 /nfs/dbraw/zinc/69/86/06/776698606.db2.gz ZJTZGROPIGCASI-QPUJVOFHSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NC2CC2)CNC(=O)C1 ZINC001131684508 776698610 /nfs/dbraw/zinc/69/86/10/776698610.db2.gz HVTGDQKXSSBHIK-ZDUSSCGKSA-N 0 3 282.344 -1.503 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131684306 776698769 /nfs/dbraw/zinc/69/87/69/776698769.db2.gz DYAZKTXTKRHGSL-LBPRGKRZSA-N 0 3 270.333 -1.693 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131689100 776698998 /nfs/dbraw/zinc/69/89/98/776698998.db2.gz AMOVAIXRUXRVAG-UFBFGSQYSA-N 0 3 270.333 -1.647 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@]1(C)CNC(=O)C1)C(N)=O ZINC001131689105 776699165 /nfs/dbraw/zinc/69/91/65/776699165.db2.gz AOOMKFYMRAHMPK-PELKAZGASA-N 0 3 270.333 -1.518 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131684255 776699243 /nfs/dbraw/zinc/69/92/43/776699243.db2.gz DDPFFXKUOPFGKY-GFCCVEGCSA-N 0 3 270.333 -1.646 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@]2(C)CNC(=O)C2)C1=O ZINC001131689865 776699368 /nfs/dbraw/zinc/69/93/68/776699368.db2.gz MNOIGSKQORRUEW-TVQRCGJNSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@]2(C)CNC(=O)C2)C1=O ZINC001131689864 776699386 /nfs/dbraw/zinc/69/93/86/776699386.db2.gz MNOIGSKQORRUEW-RNCFNFMXSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131689099 776699405 /nfs/dbraw/zinc/69/94/05/776699405.db2.gz AMOVAIXRUXRVAG-QPUJVOFHSA-N 0 3 270.333 -1.647 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@@]2(C)CNC(=O)C2)C1=O ZINC001131684578 776699498 /nfs/dbraw/zinc/69/94/98/776699498.db2.gz IPOMGEYXKLMMTE-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CNC(=O)C1)C(=O)N(C)C ZINC001131690490 776700256 /nfs/dbraw/zinc/70/02/56/776700256.db2.gz YGHOFLLKOKBTRV-RNCFNFMXSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](NCCNC(=O)[C@@]1(C)CNC(=O)C1)C(=O)N(C)C ZINC001131690491 776700346 /nfs/dbraw/zinc/70/03/46/776700346.db2.gz YGHOFLLKOKBTRV-TVQRCGJNSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@]1(C)CNC(=O)C1)C(=O)N(C)C ZINC001131690489 776700556 /nfs/dbraw/zinc/70/05/56/776700556.db2.gz YGHOFLLKOKBTRV-NOZJJQNGSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)NCC2CC2)CNC(=O)C1 ZINC001131675634 776700864 /nfs/dbraw/zinc/70/08/64/776700864.db2.gz BCADNYMBELMTBB-CQSZACIVSA-N 0 3 296.371 -1.255 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCn1ncn(C)c1=O ZINC001131769575 776701615 /nfs/dbraw/zinc/70/16/15/776701615.db2.gz YNIOHKAUFRLIFA-SECBINFHSA-N 0 3 298.347 -2.188 20 0 CAADHN CCC[C@H](C(=O)NCCN[C@@H](C)C(N)=O)S(N)(=O)=O ZINC001131777554 776701890 /nfs/dbraw/zinc/70/18/90/776701890.db2.gz OBIAZQKFPFCXOA-JGVFFNPUSA-N 0 3 294.377 -1.977 20 0 CAADHN Cn1cnn(CCC(=O)NCCN[C@@H]2CCNC2=O)c1=O ZINC001131765731 776701952 /nfs/dbraw/zinc/70/19/52/776701952.db2.gz JIDKRYUQBVYTKQ-SECBINFHSA-N 0 3 296.331 -2.434 20 0 CAADHN Cn1cnn(CCC(=O)NCCN[C@H]2CCNC2=O)c1=O ZINC001131765732 776702019 /nfs/dbraw/zinc/70/20/19/776702019.db2.gz JIDKRYUQBVYTKQ-VIFPVBQESA-N 0 3 296.331 -2.434 20 0 CAADHN O=C(COCC(F)F)NCCN[C@@H]1CCNC1=O ZINC001131765927 776702036 /nfs/dbraw/zinc/70/20/36/776702036.db2.gz RAGCIYHMCOSTOW-SSDOTTSWSA-N 0 3 265.260 -1.138 20 0 CAADHN CNC(=O)CNCCNC(=O)COCC(F)F ZINC001131769232 776702373 /nfs/dbraw/zinc/70/23/73/776702373.db2.gz NKNFAJTXDYKFKT-UHFFFAOYSA-N 0 3 253.249 -1.280 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCn1ncn(C)c1=O ZINC001131769576 776702460 /nfs/dbraw/zinc/70/24/60/776702460.db2.gz YNIOHKAUFRLIFA-VIFPVBQESA-N 0 3 298.347 -2.188 20 0 CAADHN Cn1cc(-c2oncc2C(=O)NCCNCC(N)=O)cn1 ZINC001131758688 776702592 /nfs/dbraw/zinc/70/25/92/776702592.db2.gz KARWJXHDNLSJAM-UHFFFAOYSA-N 0 3 292.299 -1.120 20 0 CAADHN CCC[C@H](C(=O)NCCNCC(N)=O)S(N)(=O)=O ZINC001131777256 776702605 /nfs/dbraw/zinc/70/26/05/776702605.db2.gz GJUAYVNLOGFQCY-SSDOTTSWSA-N 0 3 280.350 -2.365 20 0 CAADHN Cn1cnn(CCC(=O)NCCNCCF)c1=O ZINC001131769614 776702807 /nfs/dbraw/zinc/70/28/07/776702807.db2.gz ZWAJMXUAUFYBCF-UHFFFAOYSA-N 0 3 259.285 -1.353 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)COCC(F)F ZINC001131765779 776702823 /nfs/dbraw/zinc/70/28/23/776702823.db2.gz KXKWOSNGHQLEHP-UHFFFAOYSA-N 0 3 296.274 -1.571 20 0 CAADHN NC(=O)c1cc(C(=O)NCCNCC(=O)NC2CC2)co1 ZINC001131783058 776703314 /nfs/dbraw/zinc/70/33/14/776703314.db2.gz RWXXIVBVTGGERZ-UHFFFAOYSA-N 0 3 294.311 -1.024 20 0 CAADHN NC(=O)CNCCNC(=O)CCCCc1c[nH]nn1 ZINC001131779926 776703562 /nfs/dbraw/zinc/70/35/62/776703562.db2.gz DZAZCWCDKCBPEO-UHFFFAOYSA-N 0 3 268.321 -1.291 20 0 CAADHN NC(=O)c1cc(C(=O)NCCNCC(=O)N2CCC2)co1 ZINC001131783040 776703601 /nfs/dbraw/zinc/70/36/01/776703601.db2.gz RHLHDSRUKNOBJZ-UHFFFAOYSA-N 0 3 294.311 -1.070 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131840549 776703650 /nfs/dbraw/zinc/70/36/50/776703650.db2.gz NXLUXALLCRQXGY-VIFPVBQESA-N 0 3 270.333 -1.646 20 0 CAADHN NC(=O)c1cc(C(=O)NCCN[C@@H]2CCNC2=O)co1 ZINC001131782829 776703707 /nfs/dbraw/zinc/70/37/07/776703707.db2.gz ITHDALRPLCDGGD-MRVPVSSYSA-N 0 3 280.284 -1.414 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001131840396 776703844 /nfs/dbraw/zinc/70/38/44/776703844.db2.gz JLAJJCIWIIKFKK-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001131840141 776703889 /nfs/dbraw/zinc/70/38/89/776703889.db2.gz AOFFVPIRUOCXQZ-QMMMGPOBSA-N 0 3 256.306 -1.906 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001131840548 776703908 /nfs/dbraw/zinc/70/39/08/776703908.db2.gz NXLUXALLCRQXGY-SECBINFHSA-N 0 3 270.333 -1.646 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC(=O)CC1)N1CCC1 ZINC001131840747 776704181 /nfs/dbraw/zinc/70/41/81/776704181.db2.gz UWKWXHPTZZLISQ-LLVKDONJSA-N 0 3 296.371 -1.159 20 0 CAADHN CC[C@H](NCCNC(=O)c1coc(C(N)=O)c1)C(N)=O ZINC001131786024 776704290 /nfs/dbraw/zinc/70/42/90/776704290.db2.gz BYTHRLAKFBIEPH-QMMMGPOBSA-N 0 3 282.300 -1.038 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CCNC(=O)CC1 ZINC001131844345 776704465 /nfs/dbraw/zinc/70/44/65/776704465.db2.gz FYKBBDWQIJRVDG-QWRGUYRKSA-N 0 3 296.371 -1.113 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC(=O)CC1)NC1CC1 ZINC001131840683 776704570 /nfs/dbraw/zinc/70/45/70/776704570.db2.gz SQLZDKQTTPHCDT-SNVBAGLBSA-N 0 3 296.371 -1.113 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001131840276 776704638 /nfs/dbraw/zinc/70/46/38/776704638.db2.gz GIDQFIQHFAOVKC-SNVBAGLBSA-N 0 3 284.360 -1.255 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCNC(=O)CC1)C(N)=O ZINC001131845379 776705129 /nfs/dbraw/zinc/70/51/29/776705129.db2.gz YBZNRNWKHCCAET-UWVGGRQHSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCNC(=O)CC1)C(N)=O ZINC001131845380 776705241 /nfs/dbraw/zinc/70/52/41/776705241.db2.gz YBZNRNWKHCCAET-VHSXEESVSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCNC(=O)CC1)C(N)=O ZINC001131844894 776705267 /nfs/dbraw/zinc/70/52/67/776705267.db2.gz OXCCHRDAEAQSLM-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCNCC(=O)N(C)C ZINC001131831687 776705427 /nfs/dbraw/zinc/70/54/27/776705427.db2.gz MDSHNYMATYAZAU-UHFFFAOYSA-N 0 3 295.365 -3.166 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001131845355 776705540 /nfs/dbraw/zinc/70/55/40/776705540.db2.gz XSFIKERQTYNPKN-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCNC(=O)CC2)C1=O ZINC001131845441 776705682 /nfs/dbraw/zinc/70/56/82/776705682.db2.gz ZOZDNNVMOCQXEY-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCNC(=O)CC1)C(N)=O ZINC001131845381 776705729 /nfs/dbraw/zinc/70/57/29/776705729.db2.gz YBZNRNWKHCCAET-ZJUUUORDSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@H](F)CNCCNC(=O)CNS(=O)(=O)NC ZINC001131831728 776705764 /nfs/dbraw/zinc/70/57/64/776705764.db2.gz NXPVDFLTGHBTQV-MRVPVSSYSA-N 0 3 284.357 -1.506 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCNC(=O)CC2)C1=O ZINC001131845439 776705966 /nfs/dbraw/zinc/70/59/66/776705966.db2.gz ZOZDNNVMOCQXEY-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCNC/C=C\Cl ZINC001131836949 776706070 /nfs/dbraw/zinc/70/60/70/776706070.db2.gz IJYVDBGNLVWKIU-IHWYPQMZSA-N 0 3 284.769 -1.502 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCNCCF ZINC001131831854 776706102 /nfs/dbraw/zinc/70/61/02/776706102.db2.gz SOIOHBPSBNNQMZ-UHFFFAOYSA-N 0 3 256.303 -2.285 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001131878297 776706638 /nfs/dbraw/zinc/70/66/38/776706638.db2.gz ZWAUFAYFHXGXEN-GXSJLCMTSA-N 0 3 297.359 -1.052 20 0 CAADHN CO[C@H](C(=O)NCCNCC(N)=O)c1cnn(C)c1 ZINC001131878067 776706731 /nfs/dbraw/zinc/70/67/31/776706731.db2.gz UMNNEMLPHWOJSK-JTQLQIEISA-N 0 3 269.305 -1.701 20 0 CAADHN CO[C@@H](C(=O)NCCN[C@@H]1CCNC1=O)c1cnn(C)c1 ZINC001131877289 776706829 /nfs/dbraw/zinc/70/68/29/776706829.db2.gz AXKCXNRARPLJAI-GHMZBOCLSA-N 0 3 295.343 -1.298 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001131884703 776706867 /nfs/dbraw/zinc/70/68/67/776706867.db2.gz QRUITAIJMWMFOK-ZYHUDNBSSA-N 0 3 287.360 -1.120 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](OC)[C@H]1CCOC1 ZINC001131884701 776707328 /nfs/dbraw/zinc/70/73/28/776707328.db2.gz QRUITAIJMWMFOK-JQWIXIFHSA-N 0 3 287.360 -1.120 20 0 CAADHN CCO[C@H](C(=O)NCCNCC(N)=O)[C@H]1CCOC1 ZINC001131888890 776707366 /nfs/dbraw/zinc/70/73/66/776707366.db2.gz DEYZFQGVRHBJKX-ONGXEEELSA-N 0 3 273.333 -1.381 20 0 CAADHN CO[C@@H](C(=O)NCCN[C@H]1CCNC1=O)c1cnn(C)c1 ZINC001131877292 776707440 /nfs/dbraw/zinc/70/74/40/776707440.db2.gz AXKCXNRARPLJAI-WDEREUQCSA-N 0 3 295.343 -1.298 20 0 CAADHN CO[C@H](C(=O)NCCNCC(=O)N(C)C)[C@H]1CCOC1 ZINC001131879916 776707451 /nfs/dbraw/zinc/70/74/51/776707451.db2.gz BVPGDVUFFXOVON-JQWIXIFHSA-N 0 3 287.360 -1.168 20 0 CAADHN CCO[C@@H](C(=O)NCCNCC(N)=O)[C@@H]1CCOC1 ZINC001131888889 776707703 /nfs/dbraw/zinc/70/77/03/776707703.db2.gz DEYZFQGVRHBJKX-MWLCHTKSSA-N 0 3 273.333 -1.381 20 0 CAADHN CO[C@H](C(=O)NCCN[C@H](C)C(N)=O)c1cnn(C)c1 ZINC001131877718 776707718 /nfs/dbraw/zinc/70/77/18/776707718.db2.gz LEGVGGIYHQZDHF-SCZZXKLOSA-N 0 3 283.332 -1.313 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](OC)[C@H]1CCOC1 ZINC001131884700 776707757 /nfs/dbraw/zinc/70/77/57/776707757.db2.gz QRUITAIJMWMFOK-CMPLNLGQSA-N 0 3 287.360 -1.120 20 0 CAADHN CO[C@H](C(=O)NCCNCC(=O)N(C)C)c1cnn(C)c1 ZINC001131877412 776707813 /nfs/dbraw/zinc/70/78/13/776707813.db2.gz DGYBRKWMYNAVSE-LBPRGKRZSA-N 0 3 297.359 -1.098 20 0 CAADHN Cc1cncc(CC(=O)NCCNCC(=O)NC(N)=O)c1 ZINC001131860696 776707950 /nfs/dbraw/zinc/70/79/50/776707950.db2.gz QZKPXMNYRZAJQA-UHFFFAOYSA-N 0 3 293.327 -1.167 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132337602 776723180 /nfs/dbraw/zinc/72/31/80/776723180.db2.gz MMIQDAABRNVKLJ-SFYZADRCSA-N 0 3 256.306 -2.050 20 0 CAADHN CO[C@H](C(=O)NCCNCC(=O)N1CCC1)[C@@H]1CCOC1 ZINC001131881258 776708406 /nfs/dbraw/zinc/70/84/06/776708406.db2.gz PPGCUKCVUGTDAN-YPMHNXCESA-N 0 3 299.371 -1.024 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H](C)CC(N)=O ZINC001132344493 776725911 /nfs/dbraw/zinc/72/59/11/776725911.db2.gz HUUPOSJCMJDOFR-VIFPVBQESA-N 0 3 272.349 -1.270 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132358928 776729818 /nfs/dbraw/zinc/72/98/18/776729818.db2.gz JLTPOGNKRORXCE-QMMMGPOBSA-N 0 3 256.306 -2.036 20 0 CAADHN COc1nc(C(=O)NCCN[C@H]2CCNC2=O)co1 ZINC001131921112 776708946 /nfs/dbraw/zinc/70/89/46/776708946.db2.gz ZDYJCRBQRIYLGB-ZETCQYMHSA-N 0 3 268.273 -1.109 20 0 CAADHN COc1nc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)co1 ZINC001131929155 776709061 /nfs/dbraw/zinc/70/90/61/776709061.db2.gz HAZZJMYPAGGPHY-ZCFIWIBFSA-N 0 3 299.287 -1.414 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@]1(COC)CCOC1 ZINC001131902113 776709197 /nfs/dbraw/zinc/70/91/97/776709197.db2.gz KITCKMRUVUJNPU-MFKMUULPSA-N 0 3 287.360 -1.120 20 0 CAADHN CO[C@H](C(=O)NCCNCC(=O)N1CCC1)[C@H]1CCOC1 ZINC001131881255 776709210 /nfs/dbraw/zinc/70/92/10/776709210.db2.gz PPGCUKCVUGTDAN-AAEUAGOBSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](OC)[C@H]1CCOC1 ZINC001131881441 776709232 /nfs/dbraw/zinc/70/92/32/776709232.db2.gz QZVYYOQYXUBFBI-GXSJLCMTSA-N 0 3 273.333 -1.510 20 0 CAADHN CNC(=O)CNCCNC(=O)c1coc(OC)n1 ZINC001131921105 776709355 /nfs/dbraw/zinc/70/93/55/776709355.db2.gz YWWMFBYFZZPIKG-UHFFFAOYSA-N 0 3 256.262 -1.251 20 0 CAADHN CO[C@H]1C[C@H](C(=O)NCCNCC(N)=O)N(C(C)=O)C1 ZINC001131905055 776709470 /nfs/dbraw/zinc/70/94/70/776709470.db2.gz CAQMJEBHXONFRP-VHSXEESVSA-N 0 3 286.332 -2.187 20 0 CAADHN COc1nc(C(=O)NCCN[C@@H]2CCNC2=O)co1 ZINC001131921111 776709512 /nfs/dbraw/zinc/70/95/12/776709512.db2.gz ZDYJCRBQRIYLGB-SSDOTTSWSA-N 0 3 268.273 -1.109 20 0 CAADHN COC[C@]1(C(=O)NCCN[C@H]2CCNC2=O)CCOC1 ZINC001131902070 776709529 /nfs/dbraw/zinc/70/95/29/776709529.db2.gz JMKVCXORIXELRR-GXFFZTMASA-N 0 3 285.344 -1.366 20 0 CAADHN COc1nc(C(=O)NCCN[C@H](C)C(N)=O)co1 ZINC001131920725 776709540 /nfs/dbraw/zinc/70/95/40/776709540.db2.gz FBWKJLQJTARJOB-ZCFIWIBFSA-N 0 3 256.262 -1.124 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@]1(COC)CCOC1 ZINC001131902201 776709689 /nfs/dbraw/zinc/70/96/89/776709689.db2.gz LWYBJYXFMRVBFZ-ZDUSSCGKSA-N 0 3 287.360 -1.119 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cnco1 ZINC001132040762 776710577 /nfs/dbraw/zinc/71/05/77/776710577.db2.gz HUCFHXRZBONCRF-SSDOTTSWSA-N 0 3 283.288 -1.162 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1csnn1 ZINC001131972426 776710683 /nfs/dbraw/zinc/71/06/83/776710683.db2.gz MJKLNRMTYVSKRC-LURJTMIESA-N 0 3 255.303 -1.254 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1csnn1 ZINC001131972324 776710789 /nfs/dbraw/zinc/71/07/89/776710789.db2.gz KBGGAKQRCKSSAS-UHFFFAOYSA-N 0 3 286.317 -1.687 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)CC(N)=O)CN1CCOCCO ZINC001131965792 776710933 /nfs/dbraw/zinc/71/09/33/776710933.db2.gz ZBGHMUHTGIMUMY-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN C[C@H](NCCNC(=O)c1csnn1)C(=O)NC(N)=O ZINC001131982735 776710984 /nfs/dbraw/zinc/71/09/84/776710984.db2.gz CTNRWFMNBZIZML-YFKPBYRVSA-N 0 3 286.317 -1.559 20 0 CAADHN Cc1nn(C)c(C)c1CC(=O)NCCNCC(N)=O ZINC001132037292 776711023 /nfs/dbraw/zinc/71/10/23/776711023.db2.gz YAMFHIXLWFUKPS-UHFFFAOYSA-N 0 3 267.333 -1.229 20 0 CAADHN CO[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1CCC1 ZINC001131956633 776711057 /nfs/dbraw/zinc/71/10/57/776711057.db2.gz FWHLNDWHDBNKMV-JTQLQIEISA-N 0 3 286.332 -1.298 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1csnn1 ZINC001131972821 776711120 /nfs/dbraw/zinc/71/11/20/776711120.db2.gz VJQDDNXSKIYKII-ZCFIWIBFSA-N 0 3 283.313 -1.337 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1csnn1 ZINC001131972820 776711906 /nfs/dbraw/zinc/71/19/06/776711906.db2.gz VJQDDNXSKIYKII-LURJTMIESA-N 0 3 283.313 -1.337 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1csnn1 ZINC001131972104 776711947 /nfs/dbraw/zinc/71/19/47/776711947.db2.gz GCIFEOGNQDAVQX-UHFFFAOYSA-N 0 3 257.319 -1.054 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001090503761 776712315 /nfs/dbraw/zinc/71/23/15/776712315.db2.gz LJPVQSQJOOTDHK-FHUSYTEZSA-N 0 3 284.356 -1.187 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CC[C@H](C)N(CCO)C1 ZINC001132081377 776712500 /nfs/dbraw/zinc/71/25/00/776712500.db2.gz AAJQIHRIAZQWHB-UWVGGRQHSA-N 0 3 272.349 -1.123 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)Nc1ccccc1 ZINC001132064695 776712554 /nfs/dbraw/zinc/71/25/54/776712554.db2.gz AUBLIVMXHPUDLJ-UHFFFAOYSA-N 0 3 293.327 -1.001 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cnco1 ZINC001132030140 776713114 /nfs/dbraw/zinc/71/31/14/776713114.db2.gz MQBYRDBFPBXHHM-SSDOTTSWSA-N 0 3 266.257 -1.201 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001090503765 776712975 /nfs/dbraw/zinc/71/29/75/776712975.db2.gz LJPVQSQJOOTDHK-OBPIAQAESA-N 0 3 284.356 -1.187 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001132129612 776713008 /nfs/dbraw/zinc/71/30/08/776713008.db2.gz XSNMMGUZDZDZOY-VIFPVBQESA-N 0 3 286.376 -1.011 20 0 CAADHN Cc1noc(CCC(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001132115053 776713039 /nfs/dbraw/zinc/71/30/39/776713039.db2.gz KYFYYKGMLPAWDI-UHFFFAOYSA-N 0 3 298.303 -1.789 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1nc2ccccn2c1=O ZINC001132133181 776713106 /nfs/dbraw/zinc/71/31/06/776713106.db2.gz XLSXMHAJEFARKV-UHFFFAOYSA-N 0 3 292.299 -2.313 20 0 CAADHN O=C(CCn1ccnc1)NCCN[C@H]1CCC(=O)NC1=O ZINC001132081762 776713583 /nfs/dbraw/zinc/71/35/83/776713583.db2.gz DNZCUDFTYRIDJW-JTQLQIEISA-N 0 3 293.327 -1.216 20 0 CAADHN C[C@H](NCCNC(=O)c1cnco1)C(=O)NC(N)=O ZINC001132044434 776713654 /nfs/dbraw/zinc/71/36/54/776713654.db2.gz JIXRANWDXYKVOG-LURJTMIESA-N 0 3 269.261 -1.423 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(-n2cncn2)nc1 ZINC001132120937 776713849 /nfs/dbraw/zinc/71/38/49/776713849.db2.gz FFCRPSKAEQXNQR-UHFFFAOYSA-N 0 3 289.299 -1.533 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001090503763 776714201 /nfs/dbraw/zinc/71/42/01/776714201.db2.gz LJPVQSQJOOTDHK-FPYNETTCSA-N 0 3 284.356 -1.187 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(F)CCOC1 ZINC001132852075 776753056 /nfs/dbraw/zinc/75/30/56/776753056.db2.gz GYALBXCUHCFBQC-LDYMZIIASA-N 0 3 261.297 -1.045 20 0 CAADHN Cc1n[nH]cc1C(=O)NCCN[C@H]1CCNC1=O ZINC001132142958 776714773 /nfs/dbraw/zinc/71/47/73/776714773.db2.gz FNQKZNQIWJNABM-VIFPVBQESA-N 0 3 251.290 -1.074 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1c[nH]nc1C ZINC001132143205 776714872 /nfs/dbraw/zinc/71/48/72/776714872.db2.gz KPCKKTKGOUDBCV-UHFFFAOYSA-N 0 3 282.304 -1.507 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC[NH2+]CC(=O)N(C)C ZINC001132209821 776714909 /nfs/dbraw/zinc/71/49/09/776714909.db2.gz SRQCOOTXTHGEOT-UHFFFAOYSA-N 0 3 254.294 -1.479 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1[n-]nnc1C ZINC001132213096 776714973 /nfs/dbraw/zinc/71/49/73/776714973.db2.gz ZLFNTRYOSRYYTK-SSDOTTSWSA-N 0 3 254.294 -1.433 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC[NH2+][C@@H]1CCNC1=O ZINC001132209537 776715135 /nfs/dbraw/zinc/71/51/35/776715135.db2.gz FGMIRHAVIRCQNU-SSDOTTSWSA-N 0 3 252.278 -1.679 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC[NH2+]CC(=O)NC(N)=O ZINC001132209897 776715196 /nfs/dbraw/zinc/71/51/96/776715196.db2.gz VVNNSJPFVCQBHR-UHFFFAOYSA-N 0 3 269.265 -2.373 20 0 CAADHN Cc1nn(C)c(=O)c(C(=O)NCCN[C@@H](C)C(N)=O)c1C ZINC001132174576 776715257 /nfs/dbraw/zinc/71/52/57/776715257.db2.gz HSRSDMVJKRCHNJ-VIFPVBQESA-N 0 3 295.343 -1.410 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn2cccnc12 ZINC001132205737 776715507 /nfs/dbraw/zinc/71/55/07/776715507.db2.gz RYDZAVIOGYVSAK-UHFFFAOYSA-N 0 3 276.300 -1.205 20 0 CAADHN CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1[n-]nnc1C ZINC001132209717 776715600 /nfs/dbraw/zinc/71/56/00/776715600.db2.gz NSBCVXBZEWWKCL-UHFFFAOYSA-N 0 3 297.319 -1.722 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001132215863 776715611 /nfs/dbraw/zinc/71/56/11/776715611.db2.gz PAGGQJVZMXCZIV-MRVPVSSYSA-N 0 3 266.305 -1.337 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC[NH2+]Cc1cnnn1C ZINC001132209594 776715650 /nfs/dbraw/zinc/71/56/50/776715650.db2.gz IAMJUTMOGLKLHN-UHFFFAOYSA-N 0 3 264.293 -1.239 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC[NH2+]CC(=O)N1CCOCC1 ZINC001132209669 776715816 /nfs/dbraw/zinc/71/58/16/776715816.db2.gz LQLZSDQTADTAQX-UHFFFAOYSA-N 0 3 296.331 -1.709 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cnn2cccnc12 ZINC001132205820 776715869 /nfs/dbraw/zinc/71/58/69/776715869.db2.gz XGQKJJMROMTREA-JTQLQIEISA-N 0 3 288.311 -1.063 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cnn2cccnc12 ZINC001132205821 776715930 /nfs/dbraw/zinc/71/59/30/776715930.db2.gz XGQKJJMROMTREA-SNVBAGLBSA-N 0 3 288.311 -1.063 20 0 CAADHN Cc1n[nH]cc1C(=O)NCCNCC(=O)NC(N)=O ZINC001132143104 776715984 /nfs/dbraw/zinc/71/59/84/776715984.db2.gz IQBNJWAPYJTLJG-UHFFFAOYSA-N 0 3 268.277 -1.768 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1ccccc1C(N)=O ZINC001132229509 776717023 /nfs/dbraw/zinc/71/70/23/776717023.db2.gz OXADCKNQWLNMAE-UHFFFAOYSA-N 0 3 292.339 -1.220 20 0 CAADHN COc1ccnc(C(=O)NCCNCC(=O)NC(N)=O)c1 ZINC001132222653 776717730 /nfs/dbraw/zinc/71/77/30/776717730.db2.gz CZLXTJAXZJLBJW-UHFFFAOYSA-N 0 3 295.299 -1.396 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCC(=O)N1C)C(N)=O ZINC001132258210 776718747 /nfs/dbraw/zinc/71/87/47/776718747.db2.gz ZBGUUWROTULBSO-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1ccn2nnnc2c1 ZINC001132272221 776718765 /nfs/dbraw/zinc/71/87/65/776718765.db2.gz TVPDGODODABLHQ-VIFPVBQESA-N 0 3 289.299 -1.668 20 0 CAADHN CN1C(=O)CC[C@H]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001132257747 776719114 /nfs/dbraw/zinc/71/91/14/776719114.db2.gz OSVPNFWVGSCNFX-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1C ZINC001132257873 776719236 /nfs/dbraw/zinc/71/92/36/776719236.db2.gz QTPWXGRXWKSVHT-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN C[C@H](NCCNC(=O)c1ccn2nnnc2c1)C(N)=O ZINC001132272198 776719267 /nfs/dbraw/zinc/71/92/67/776719267.db2.gz SELVCZCEUSKFOC-ZETCQYMHSA-N 0 3 277.288 -1.683 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@H]1CCC(=O)N1C)C(N)=O ZINC001132260712 776719540 /nfs/dbraw/zinc/71/95/40/776719540.db2.gz DLPIKJHULMNBDU-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccn2nnnc2c1 ZINC001132272219 776719619 /nfs/dbraw/zinc/71/96/19/776719619.db2.gz TUKNLLXNKNZXNZ-UHFFFAOYSA-N 0 3 291.315 -1.468 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCC(=O)N1C)C(N)=O ZINC001132258208 776719736 /nfs/dbraw/zinc/71/97/36/776719736.db2.gz ZBGUUWROTULBSO-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@@H]1CCC(=O)N1C)C(N)=O ZINC001132260708 776719808 /nfs/dbraw/zinc/71/98/08/776719808.db2.gz DLPIKJHULMNBDU-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CN1C(=O)CC[C@H]1CC(=O)NCCN[C@H]1CCCNC1=O ZINC001132257585 776719980 /nfs/dbraw/zinc/71/99/80/776719980.db2.gz MJEGQOFAXIJYKC-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CN1C(=O)CC[C@@H]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001132257725 776720062 /nfs/dbraw/zinc/72/00/62/776720062.db2.gz OSVPNFWVGSCNFX-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccn2nnnc2c1 ZINC001132272307 776720101 /nfs/dbraw/zinc/72/01/01/776720101.db2.gz YOUMUNXZAMNRND-UHFFFAOYSA-N 0 3 263.261 -2.071 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cn(C)nc1OC ZINC001132280585 776720177 /nfs/dbraw/zinc/72/01/77/776720177.db2.gz OWNJTQVYXBVLES-UHFFFAOYSA-N 0 3 283.332 -1.116 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1CCNC(=O)C1 ZINC001132317786 776721069 /nfs/dbraw/zinc/72/10/69/776721069.db2.gz MXRFVDKHTCURQE-UHFFFAOYSA-N 0 3 285.348 -2.740 20 0 CAADHN COc1nn(C)cc1C(=O)NCCNCC(=O)N(C)C ZINC001132278000 776721124 /nfs/dbraw/zinc/72/11/24/776721124.db2.gz NJCNTKPSFODWRK-UHFFFAOYSA-N 0 3 283.332 -1.164 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cn(C)nc1OC ZINC001132278389 776721319 /nfs/dbraw/zinc/72/13/19/776721319.db2.gz WBNCOXCCNPEYLF-QMMMGPOBSA-N 0 3 283.332 -1.117 20 0 CAADHN Cn1cc(CNCCNC(=O)CN2CCNC(=O)C2)cn1 ZINC001132318078 776721618 /nfs/dbraw/zinc/72/16/18/776721618.db2.gz RHRLLNKOEAWZNH-UHFFFAOYSA-N 0 3 294.359 -1.942 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CN1CCNC(=O)C1 ZINC001132317312 776721628 /nfs/dbraw/zinc/72/16/28/776721628.db2.gz BSQVHIDWPLMTOO-UHFFFAOYSA-N 0 3 299.375 -2.398 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132338094 776721825 /nfs/dbraw/zinc/72/18/25/776721825.db2.gz PUQVZYCGWHRUDX-UWVGGRQHSA-N 0 3 284.360 -1.272 20 0 CAADHN CCC[C@@H](OC)C(=O)NCCNCC(=O)NC(N)=O ZINC001132290890 776721832 /nfs/dbraw/zinc/72/18/32/776721832.db2.gz QEGWJJKQRHAUOW-MRVPVSSYSA-N 0 3 274.321 -1.298 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132337600 776722217 /nfs/dbraw/zinc/72/22/17/776722217.db2.gz MMIQDAABRNVKLJ-HTQZYQBOSA-N 0 3 256.306 -2.050 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132336592 776722262 /nfs/dbraw/zinc/72/22/62/776722262.db2.gz BGWRMJPZDYAXPV-RNFRBKRXSA-N 0 3 285.304 -2.601 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132337082 776722321 /nfs/dbraw/zinc/72/23/21/776722321.db2.gz GCZOCCPMJWPVHD-VHSXEESVSA-N 0 3 284.360 -1.318 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132337081 776722375 /nfs/dbraw/zinc/72/23/75/776722375.db2.gz GCZOCCPMJWPVHD-UWVGGRQHSA-N 0 3 284.360 -1.318 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132337417 776722680 /nfs/dbraw/zinc/72/26/80/776722680.db2.gz KEVOYRLSNZRACQ-ZJUUUORDSA-N 0 3 284.360 -1.270 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001132337216 776722766 /nfs/dbraw/zinc/72/27/66/776722766.db2.gz HZBVHOKDCBBUOO-RNFRBKRXSA-N 0 3 287.320 -2.213 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132337083 776722851 /nfs/dbraw/zinc/72/28/51/776722851.db2.gz GCZOCCPMJWPVHD-ZJUUUORDSA-N 0 3 284.360 -1.318 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132336591 776722892 /nfs/dbraw/zinc/72/28/92/776722892.db2.gz BGWRMJPZDYAXPV-NKWVEPMBSA-N 0 3 285.304 -2.601 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCNCC(=O)N1CCCC1 ZINC001132337733 776722945 /nfs/dbraw/zinc/72/29/45/776722945.db2.gz NBGLQWIKAKQZQS-SNVBAGLBSA-N 0 3 284.360 -1.174 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132337443 776722972 /nfs/dbraw/zinc/72/29/72/776722972.db2.gz KPODFRQWCRFTAL-YUMQZZPRSA-N 0 3 299.331 -2.341 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001132337214 776723003 /nfs/dbraw/zinc/72/30/03/776723003.db2.gz HZBVHOKDCBBUOO-BQBZGAKWSA-N 0 3 287.320 -2.213 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1CCNC(=O)C1 ZINC001132320588 776723011 /nfs/dbraw/zinc/72/30/11/776723011.db2.gz KQIIZFAGPKJQLP-VIFPVBQESA-N 0 3 285.348 -2.742 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O)C1CC1 ZINC001132338153 776723240 /nfs/dbraw/zinc/72/32/40/776723240.db2.gz QNVZZPMOAIBIBK-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132336526 776723256 /nfs/dbraw/zinc/72/32/56/776723256.db2.gz AHMFMBKZRQQAQU-IUCAKERBSA-N 0 3 270.333 -1.708 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001132339017 776723946 /nfs/dbraw/zinc/72/39/46/776723946.db2.gz YLDABXFZTPPBPM-ZJUUUORDSA-N 0 3 282.344 -1.518 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCCNC/C=C/Cl ZINC001132323700 776724114 /nfs/dbraw/zinc/72/41/14/776724114.db2.gz BRFXLELIMXXVBT-OWOJBTEDSA-N 0 3 274.752 -1.124 20 0 CAADHN NC(=O)[C@@H]1CC[C@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001132339115 776724316 /nfs/dbraw/zinc/72/43/16/776724316.db2.gz ZMKPLTUTISMDTJ-GHMZBOCLSA-N 0 3 296.371 -1.174 20 0 CAADHN CC[C@H](NCCNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001132320830 776724518 /nfs/dbraw/zinc/72/45/18/776724518.db2.gz VWERYBUFEOKVDX-VIFPVBQESA-N 0 3 285.348 -2.612 20 0 CAADHN NC(=O)[C@H]1CC[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001132339015 776724529 /nfs/dbraw/zinc/72/45/29/776724529.db2.gz YLDABXFZTPPBPM-UWVGGRQHSA-N 0 3 282.344 -1.518 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCCNC/C=C\Cl ZINC001132323701 776724576 /nfs/dbraw/zinc/72/45/76/776724576.db2.gz BRFXLELIMXXVBT-UPHRSURJSA-N 0 3 274.752 -1.124 20 0 CAADHN NC(=O)[C@H]1CC[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001132337994 776724616 /nfs/dbraw/zinc/72/46/16/776724616.db2.gz PAXKHOVMZPTSHE-QWRGUYRKSA-N 0 3 296.371 -1.270 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H](C)CC(N)=O ZINC001132352153 776724655 /nfs/dbraw/zinc/72/46/55/776724655.db2.gz KQDCXKFAGKJPBZ-SECBINFHSA-N 0 3 272.349 -1.272 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001132338791 776724713 /nfs/dbraw/zinc/72/47/13/776724713.db2.gz WXYWJDYGNPOXSZ-ZJUUUORDSA-N 0 3 282.344 -1.564 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCNC(=O)C1)C(=O)N(C)C ZINC001132320781 776724783 /nfs/dbraw/zinc/72/47/83/776724783.db2.gz SSOKOAVJWWRULD-SNVBAGLBSA-N 0 3 299.375 -2.399 20 0 CAADHN NC(=O)[C@H]1CC[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001132338788 776724787 /nfs/dbraw/zinc/72/47/87/776724787.db2.gz WXYWJDYGNPOXSZ-UWVGGRQHSA-N 0 3 282.344 -1.564 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001132344485 776725545 /nfs/dbraw/zinc/72/55/45/776725545.db2.gz HNURNIUIVTZTOT-YUMQZZPRSA-N 0 3 284.316 -1.991 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H](C)CC(N)=O)C(N)=O ZINC001132343974 776725891 /nfs/dbraw/zinc/72/58/91/776725891.db2.gz BLZVOKMRKSDIGR-HTQZYQBOSA-N 0 3 258.322 -1.532 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001132344483 776725999 /nfs/dbraw/zinc/72/59/99/776725999.db2.gz HNURNIUIVTZTOT-JGVFFNPUSA-N 0 3 284.316 -1.991 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)CC(N)=O ZINC001132344216 776726007 /nfs/dbraw/zinc/72/60/07/776726007.db2.gz CGLYQXHCPIUVHZ-HTQZYQBOSA-N 0 3 258.322 -1.662 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCNCC(=O)N(C)C ZINC001132345399 776726019 /nfs/dbraw/zinc/72/60/19/776726019.db2.gz PSPLFCVEGBWNRU-MRVPVSSYSA-N 0 3 258.322 -1.708 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001132344680 776726071 /nfs/dbraw/zinc/72/60/71/776726071.db2.gz IYRFTFWVRRNBQZ-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001132342182 776726090 /nfs/dbraw/zinc/72/60/90/776726090.db2.gz XVCOQZBEBWYUTQ-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H](C)CC(N)=O)C1=O ZINC001132345375 776726098 /nfs/dbraw/zinc/72/60/98/776726098.db2.gz PKPOANZSYWWKLG-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H](C)CC(N)=O)C1=O ZINC001132345379 776726248 /nfs/dbraw/zinc/72/62/48/776726248.db2.gz PKPOANZSYWWKLG-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCNCCNS(C)(=O)=O ZINC001132344889 776726279 /nfs/dbraw/zinc/72/62/79/776726279.db2.gz LTBCCSWWSCSEPN-QMMMGPOBSA-N 0 3 294.377 -2.247 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001132344721 776726293 /nfs/dbraw/zinc/72/62/93/776726293.db2.gz JJEZLBFDRCHDKW-RKDXNWHRSA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001132345812 776726298 /nfs/dbraw/zinc/72/62/98/776726298.db2.gz VYPFUBFGHUEBJP-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCNCCNS(C)(=O)=O ZINC001132344888 776726329 /nfs/dbraw/zinc/72/63/29/776726329.db2.gz LTBCCSWWSCSEPN-MRVPVSSYSA-N 0 3 294.377 -2.247 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132355689 776726932 /nfs/dbraw/zinc/72/69/32/776726932.db2.gz HWSZQZNFIXXLMA-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCNCC(=O)N1CCC1 ZINC001132349838 776726982 /nfs/dbraw/zinc/72/69/82/776726982.db2.gz NFZOJKJGJZPTSH-SECBINFHSA-N 0 3 270.333 -1.564 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c[nH]c(=O)n1C ZINC001132367387 776727120 /nfs/dbraw/zinc/72/71/20/776727120.db2.gz UIOULJFQHDIEQR-UHFFFAOYSA-N 0 3 255.278 -1.809 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1c[nH]c(=O)n1C ZINC001132366978 776727232 /nfs/dbraw/zinc/72/72/32/776727232.db2.gz HOGJNDRDYWXTCK-UHFFFAOYSA-N 0 3 269.305 -1.419 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132355688 776727315 /nfs/dbraw/zinc/72/73/15/776727315.db2.gz HWSZQZNFIXXLMA-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN Cn1c(C(=O)NCCNCC(=O)NC2CC2)c[nH]c1=O ZINC001132367343 776727388 /nfs/dbraw/zinc/72/73/88/776727388.db2.gz SKPLFGHQZSTCBR-UHFFFAOYSA-N 0 3 281.316 -1.276 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC1=O)NCC1CCC1 ZINC001132355793 776727535 /nfs/dbraw/zinc/72/75/35/776727535.db2.gz JUXIHEGYUIDWIJ-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1c[nH]c(=O)n1C ZINC001132366870 776727568 /nfs/dbraw/zinc/72/75/68/776727568.db2.gz CDAQGFDZVRNLBA-UHFFFAOYSA-N 0 3 283.332 -1.030 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC1=O)NCC1CCC1 ZINC001132355794 776727575 /nfs/dbraw/zinc/72/75/75/776727575.db2.gz JUXIHEGYUIDWIJ-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCNCC(=O)N1CCC1 ZINC001132349840 776727759 /nfs/dbraw/zinc/72/77/59/776727759.db2.gz NFZOJKJGJZPTSH-VIFPVBQESA-N 0 3 270.333 -1.564 20 0 CAADHN Cn1c(C(=O)NCCN[C@H]2CCCNC2=O)c[nH]c1=O ZINC001132367071 776727878 /nfs/dbraw/zinc/72/78/78/776727878.db2.gz KWJNNDWUDKOMAA-QMMMGPOBSA-N 0 3 281.316 -1.276 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC1=O)N1CCCC1 ZINC001132355595 776728089 /nfs/dbraw/zinc/72/80/89/776728089.db2.gz DYFGUKCGINJJRH-JTQLQIEISA-N 0 3 282.344 -1.549 20 0 CAADHN CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132358854 776729088 /nfs/dbraw/zinc/72/90/88/776729088.db2.gz JACNXKRZFJNIMW-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1CCNC1=O ZINC001132358826 776729116 /nfs/dbraw/zinc/72/91/16/776729116.db2.gz IGPXMCUMSBUVDV-JGVFFNPUSA-N 0 3 282.300 -2.367 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132358417 776730223 /nfs/dbraw/zinc/73/02/23/776730223.db2.gz DKIKIGDJPDUXLZ-JTQLQIEISA-N 0 3 284.360 -1.255 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132358456 776730235 /nfs/dbraw/zinc/73/02/35/776730235.db2.gz FDRXXKHUHCTZGY-QMMMGPOBSA-N 0 3 299.331 -2.326 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132359334 776730715 /nfs/dbraw/zinc/73/07/15/776730715.db2.gz OIZQLMJEGKARFX-SECBINFHSA-N 0 3 270.333 -1.646 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CCNC1=O ZINC001132359059 776730946 /nfs/dbraw/zinc/73/09/46/776730946.db2.gz LBHOXPDOEOJTJR-IUCAKERBSA-N 0 3 268.317 -1.893 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132360360 776731000 /nfs/dbraw/zinc/73/10/00/776731000.db2.gz YHRVAXOEBZURLO-SSDOTTSWSA-N 0 3 285.304 -2.716 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132385916 776731025 /nfs/dbraw/zinc/73/10/25/776731025.db2.gz BPKFILOLQBVHOI-SNVBAGLBSA-N 0 3 299.375 -1.512 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CCNC1=O ZINC001132359058 776731249 /nfs/dbraw/zinc/73/12/49/776731249.db2.gz LBHOXPDOEOJTJR-DTWKUNHWSA-N 0 3 268.317 -1.893 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1CCNC1=O ZINC001132359060 776731263 /nfs/dbraw/zinc/73/12/63/776731263.db2.gz LBHOXPDOEOJTJR-RKDXNWHRSA-N 0 3 268.317 -1.893 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC1=O)NC1CCCC1 ZINC001132359877 776731460 /nfs/dbraw/zinc/73/14/60/776731460.db2.gz TVWZNUNSJAGSGQ-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132362947 776731657 /nfs/dbraw/zinc/73/16/57/776731657.db2.gz OWZFSWUHWUWYMA-MNOVXSKESA-N 0 3 298.387 -1.024 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132386261 776732615 /nfs/dbraw/zinc/73/26/15/776732615.db2.gz FUFDSJASTWTYMP-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132386464 776732678 /nfs/dbraw/zinc/73/26/78/776732678.db2.gz HMZJRTXCKGEZDS-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132387011 776732734 /nfs/dbraw/zinc/73/27/34/776732734.db2.gz ODJDPAGHXQNNFT-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132386831 776732749 /nfs/dbraw/zinc/73/27/49/776732749.db2.gz MKVYGFKJWOPVMF-MRVPVSSYSA-N 0 3 271.321 -2.148 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@H]2CCNC2=O)NC1=O ZINC001132386778 776732753 /nfs/dbraw/zinc/73/27/53/776732753.db2.gz KTJKQCFNFDHJLI-JGVFFNPUSA-N 0 3 269.305 -2.396 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132387267 776732786 /nfs/dbraw/zinc/73/27/86/776732786.db2.gz QPBFVJDZBXOWFA-JGVFFNPUSA-N 0 3 271.321 -2.150 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2CN(C)C(=O)N2)C1=O ZINC001132387378 776732848 /nfs/dbraw/zinc/73/28/48/776732848.db2.gz RDLBDLODFPHAQM-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2CN(C)C(=O)N2)C1=O ZINC001132387376 776732915 /nfs/dbraw/zinc/73/29/15/776732915.db2.gz RDLBDLODFPHAQM-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001132387032 776732929 /nfs/dbraw/zinc/73/29/29/776732929.db2.gz OSCIAVNSUOWEAT-NKWVEPMBSA-N 0 3 257.294 -2.410 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)NC1=O ZINC001132386779 776732939 /nfs/dbraw/zinc/73/29/39/776732939.db2.gz KTJKQCFNFDHJLI-SFYZADRCSA-N 0 3 269.305 -2.396 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)NC2CC2)NC1=O ZINC001132386525 776733365 /nfs/dbraw/zinc/73/33/65/776733365.db2.gz JGHVYZLPEIHDBT-SECBINFHSA-N 0 3 283.332 -2.006 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCNC1=O ZINC001132376852 776734419 /nfs/dbraw/zinc/73/44/19/776734419.db2.gz RWFKLIYOKKBFNF-JGVFFNPUSA-N 0 3 256.306 -2.037 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001132387765 776734192 /nfs/dbraw/zinc/73/41/92/776734192.db2.gz ZMMZSXQINJJDQM-YUMQZZPRSA-N 0 3 271.321 -2.020 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132370275 776734304 /nfs/dbraw/zinc/73/43/04/776734304.db2.gz QGZJFLVCFQSPKW-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132370274 776734322 /nfs/dbraw/zinc/73/43/22/776734322.db2.gz QGZJFLVCFQSPKW-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCNC1=O ZINC001132375353 776734329 /nfs/dbraw/zinc/73/43/29/776734329.db2.gz IXVHIRSNRZDGAX-MRVPVSSYSA-N 0 3 292.361 -2.623 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132374312 776734386 /nfs/dbraw/zinc/73/43/86/776734386.db2.gz CGZBEUDDLSJAMV-BDAKNGLRSA-N 0 3 268.317 -1.941 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)NC1=O ZINC001132387665 776734392 /nfs/dbraw/zinc/73/43/92/776734392.db2.gz XLBSPFOARRAEAQ-RKDXNWHRSA-N 0 3 283.332 -2.006 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132370273 776734470 /nfs/dbraw/zinc/73/44/70/776734470.db2.gz QGZJFLVCFQSPKW-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCNC1=O)C(=O)NC(N)=O ZINC001132374581 776734485 /nfs/dbraw/zinc/73/44/85/776734485.db2.gz DSJYYBDGWZSHOR-RNFRBKRXSA-N 0 3 285.304 -2.588 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCNC1=O ZINC001132376359 776734538 /nfs/dbraw/zinc/73/45/38/776734538.db2.gz OHBWBOZWLVOYHW-SFYZADRCSA-N 0 3 299.331 -2.328 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)NC1=O ZINC001132387664 776734688 /nfs/dbraw/zinc/73/46/88/776734688.db2.gz XLBSPFOARRAEAQ-IUCAKERBSA-N 0 3 283.332 -2.006 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1c[nH]c(=O)n1C ZINC001132369823 776734742 /nfs/dbraw/zinc/73/47/42/776734742.db2.gz AEHVISKVIQVVET-ZETCQYMHSA-N 0 3 269.305 -1.420 20 0 CAADHN CC[C@H](NCCNC(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001132370447 776734898 /nfs/dbraw/zinc/73/48/98/776734898.db2.gz VFDGQYWRQDIMIC-ZETCQYMHSA-N 0 3 269.305 -1.291 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132374319 776734927 /nfs/dbraw/zinc/73/49/27/776734927.db2.gz CGZBEUDDLSJAMV-IUCAKERBSA-N 0 3 268.317 -1.941 20 0 CAADHN CCCC[C@H](NCCNC(=O)[C@H]1CCNC1=O)C(N)=O ZINC001132373965 776735005 /nfs/dbraw/zinc/73/50/05/776735005.db2.gz AXKKYYOVNFZECT-UWVGGRQHSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001132387762 776735272 /nfs/dbraw/zinc/73/52/72/776735272.db2.gz ZMMZSXQINJJDQM-HTQZYQBOSA-N 0 3 271.321 -2.020 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132376598 776735288 /nfs/dbraw/zinc/73/52/88/776735288.db2.gz PPDXBWIMSFSYDP-GHMZBOCLSA-N 0 3 296.371 -1.162 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)NC(C)(C)C)NC1=O ZINC001132382298 776735765 /nfs/dbraw/zinc/73/57/65/776735765.db2.gz HNQDXUMYQGVXDF-VIFPVBQESA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCNC1=O)C(=O)NC1CC1 ZINC001132377095 776735814 /nfs/dbraw/zinc/73/58/14/776735814.db2.gz STMLHMMDWWVKKS-WCBMZHEXSA-N 0 3 282.344 -1.505 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001132377752 776735843 /nfs/dbraw/zinc/73/58/43/776735843.db2.gz ZSMDTGAGRIAHBS-KOLCDFICSA-N 0 3 296.371 -1.257 20 0 CAADHN Cn1c(C(=O)NCCNCC(=O)N2CCC2)c[nH]c1=O ZINC001132379709 776736335 /nfs/dbraw/zinc/73/63/35/776736335.db2.gz UUQVOHKAYLXWOD-UHFFFAOYSA-N 0 3 281.316 -1.323 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132382836 776736381 /nfs/dbraw/zinc/73/63/81/776736381.db2.gz STAGLVDVXODXTQ-JTQLQIEISA-N 0 3 280.332 -1.351 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001132382749 776736443 /nfs/dbraw/zinc/73/64/43/776736443.db2.gz QIWFZDLRZBVCII-JTQLQIEISA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCNC1=O)C(=O)N(C)C ZINC001132377613 776736556 /nfs/dbraw/zinc/73/65/56/776736556.db2.gz YBFRKXCVSJDGMD-IUCAKERBSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCNC1=O)C(=O)NC1CC1 ZINC001132377094 776736759 /nfs/dbraw/zinc/73/67/59/776736759.db2.gz STMLHMMDWWVKKS-SCZZXKLOSA-N 0 3 282.344 -1.505 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@@H]2CN(C)C(=O)N2)cn1 ZINC001132382834 776736977 /nfs/dbraw/zinc/73/69/77/776736977.db2.gz SQOWNIRFBQDTEI-JTQLQIEISA-N 0 3 280.332 -1.351 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@H]2CN(C)C(=O)N2)cn1 ZINC001132382835 776737179 /nfs/dbraw/zinc/73/71/79/776737179.db2.gz SQOWNIRFBQDTEI-SNVBAGLBSA-N 0 3 280.332 -1.351 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCNC1=O)C(=O)NC1CC1 ZINC001132377096 776737251 /nfs/dbraw/zinc/73/72/51/776737251.db2.gz STMLHMMDWWVKKS-WPRPVWTQSA-N 0 3 282.344 -1.505 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCNC1=O)C(=O)N(C)C ZINC001132377614 776737333 /nfs/dbraw/zinc/73/73/33/776737333.db2.gz YBFRKXCVSJDGMD-RKDXNWHRSA-N 0 3 270.333 -1.695 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132383132 776738267 /nfs/dbraw/zinc/73/82/67/776738267.db2.gz YNSXBUVANOZAAM-VIFPVBQESA-N 0 3 285.348 -1.760 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132383028 776738492 /nfs/dbraw/zinc/73/84/92/776738492.db2.gz VXZJIUBVQXCVRY-SECBINFHSA-N 0 3 285.348 -1.806 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CN(C)C(=O)N2)C1=O ZINC001132391490 776738601 /nfs/dbraw/zinc/73/86/01/776738601.db2.gz KKWMBSXYZXLVOW-RKDXNWHRSA-N 0 3 283.332 -2.054 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CN(C)C(=O)N2)C1=O ZINC001132391489 776738656 /nfs/dbraw/zinc/73/86/56/776738656.db2.gz KKWMBSXYZXLVOW-IUCAKERBSA-N 0 3 283.332 -2.054 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)CCCF ZINC001132463096 776738799 /nfs/dbraw/zinc/73/87/99/776738799.db2.gz KTLIXLCXFKAKPP-UHFFFAOYSA-N 0 3 269.342 -1.009 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)NC1CC1 ZINC001132402514 776738899 /nfs/dbraw/zinc/73/88/99/776738899.db2.gz RNOMDHCQOFCGMV-SCZZXKLOSA-N 0 3 297.359 -1.617 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132402757 776738906 /nfs/dbraw/zinc/73/89/06/776738906.db2.gz XVUXYKIYWHBUMR-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1C[C@@H]1C)C(=O)NC(N)=O ZINC001132498696 776739057 /nfs/dbraw/zinc/73/90/57/776739057.db2.gz CQQMGIKLLMVSKC-RNJXMRFFSA-N 0 3 256.306 -1.068 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CN(C)C(=O)N1)C(=O)NC1CC1 ZINC001132402513 776739072 /nfs/dbraw/zinc/73/90/72/776739072.db2.gz RNOMDHCQOFCGMV-PSASIEDQSA-N 0 3 297.359 -1.617 20 0 CAADHN CCCC[C@@H](NCCNC(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001132392060 776739098 /nfs/dbraw/zinc/73/90/98/776739098.db2.gz UNNPQGOCWMPHDE-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132402759 776739125 /nfs/dbraw/zinc/73/91/25/776739125.db2.gz XVUXYKIYWHBUMR-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523447 776739637 /nfs/dbraw/zinc/73/96/37/776739637.db2.gz JVTOTQDOMPQMRM-QMMMGPOBSA-N 0 3 283.336 -1.556 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001132520036 776739717 /nfs/dbraw/zinc/73/97/17/776739717.db2.gz VZBRCGJIGUUVSD-BDAKNGLRSA-N 0 3 268.317 -1.799 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001132520045 776740221 /nfs/dbraw/zinc/74/02/21/776740221.db2.gz WCHWRQRSFIBYBI-JTQLQIEISA-N 0 3 282.344 -1.455 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132520097 776740238 /nfs/dbraw/zinc/74/02/38/776740238.db2.gz YVMXFFABACNLET-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)NC1CC1 ZINC001132519756 776740402 /nfs/dbraw/zinc/74/04/02/776740402.db2.gz KUVAYGQEROCHJX-ONGXEEELSA-N 0 3 296.371 -1.020 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519576 776740623 /nfs/dbraw/zinc/74/06/23/776740623.db2.gz CSWRWPXHGMHODJ-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN Cn1nnc(C(=O)NCCNCC(=O)NCC2CC2)n1 ZINC001132523460 776740647 /nfs/dbraw/zinc/74/06/47/776740647.db2.gz KGFNQPQHXWKMSN-UHFFFAOYSA-N 0 3 281.320 -1.944 20 0 CAADHN CC[C@H](NCCNC(=O)c1nnn(C)n1)C(N)=O ZINC001132526738 776741193 /nfs/dbraw/zinc/74/11/93/776741193.db2.gz AWDPAJNQSVJSDN-LURJTMIESA-N 0 3 255.282 -2.207 20 0 CAADHN Cn1nnc(C(=O)NCCNCC(=O)N2CCOCC2)n1 ZINC001132523655 776741220 /nfs/dbraw/zinc/74/12/20/776741220.db2.gz SJEKFZMJTZJPIW-UHFFFAOYSA-N 0 3 297.319 -2.612 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523647 776741341 /nfs/dbraw/zinc/74/13/41/776741341.db2.gz SBTULDRHUWXYLA-UHFFFAOYSA-N 0 3 299.335 -2.318 20 0 CAADHN Cn1nnc(C(=O)NCCNCC(=O)NCC(C)(C)C)n1 ZINC001132526825 776741468 /nfs/dbraw/zinc/74/14/68/776741468.db2.gz FSCQEDRHWRJDIZ-UHFFFAOYSA-N 0 3 297.363 -1.308 20 0 CAADHN Cn1nnc(C(=O)NCCN[C@H]2CCCN(C)C2=O)n1 ZINC001132523670 776741796 /nfs/dbraw/zinc/74/17/96/776741796.db2.gz SVTPZKHPBAZFBX-QMMMGPOBSA-N 0 3 281.320 -1.850 20 0 CAADHN CC[C@@H](NCCNC(=O)c1nnn(C)n1)C(N)=O ZINC001132526739 776741831 /nfs/dbraw/zinc/74/18/31/776741831.db2.gz AWDPAJNQSVJSDN-ZCFIWIBFSA-N 0 3 255.282 -2.207 20 0 CAADHN Cn1cc(CNCCNC(=O)c2nnn(C)n2)cn1 ZINC001132523697 776741899 /nfs/dbraw/zinc/74/18/99/776741899.db2.gz UZYUJNOYDJNKHM-UHFFFAOYSA-N 0 3 264.293 -1.537 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132527178 776741948 /nfs/dbraw/zinc/74/19/48/776741948.db2.gz OSGISQXZIQYOET-ZCFIWIBFSA-N 0 3 255.282 -2.336 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523782 776741981 /nfs/dbraw/zinc/74/19/81/776741981.db2.gz YPQWZURUPINIBO-UHFFFAOYSA-N 0 3 255.282 -2.382 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132528471 776742516 /nfs/dbraw/zinc/74/25/16/776742516.db2.gz NAYUBAXJVGTQKN-ZCFIWIBFSA-N 0 3 298.307 -2.626 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132528033 776742705 /nfs/dbraw/zinc/74/27/05/776742705.db2.gz AIWOTKNLFZTQNV-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN CCN(CC)C(=O)[C@@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132531539 776742841 /nfs/dbraw/zinc/74/28/41/776742841.db2.gz HLHGXHHYGMSAAG-SECBINFHSA-N 0 3 297.363 -1.214 20 0 CAADHN CCCCNC(=O)[C@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132531797 776743037 /nfs/dbraw/zinc/74/30/37/776743037.db2.gz QGUFPIPHYXSFLH-VIFPVBQESA-N 0 3 297.363 -1.166 20 0 CAADHN CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132531623 776743125 /nfs/dbraw/zinc/74/31/25/776743125.db2.gz KEUZGXRVUQFFOD-DTWKUNHWSA-N 0 3 297.363 -1.167 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001132532052 776743178 /nfs/dbraw/zinc/74/31/78/776743178.db2.gz ZZZHEFBRHVXBRO-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](NCCNC(=O)c1nnn(C)n1)C(=O)NC(N)=O ZINC001132528885 776743560 /nfs/dbraw/zinc/74/35/60/776743560.db2.gz VMGXBHZJARQWRE-RXMQYKEDSA-N 0 3 284.280 -2.887 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132528613 776743636 /nfs/dbraw/zinc/74/36/36/776743636.db2.gz QDWZXOINWWQFTE-MRVPVSSYSA-N 0 3 283.336 -1.556 20 0 CAADHN Cn1nnc(C(=O)NCCNCCNS(C)(=O)=O)n1 ZINC001132527309 776743667 /nfs/dbraw/zinc/74/36/67/776743667.db2.gz UYTQLSGDZYPUAK-UHFFFAOYSA-N 0 3 291.337 -2.921 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2CCN(C)C2=O)C1=O ZINC001132612698 776743989 /nfs/dbraw/zinc/74/39/89/776743989.db2.gz OLUASVRIDGHBSG-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605354 776744291 /nfs/dbraw/zinc/74/42/91/776744291.db2.gz MLGLMQGUKCKGJF-JZYVYDRUSA-N 0 3 255.318 -1.327 20 0 CAADHN Cc1cnn(C)c1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001132559737 776744427 /nfs/dbraw/zinc/74/44/27/776744427.db2.gz VIVPRKSEURQDIZ-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N1CCC1 ZINC001132605483 776744668 /nfs/dbraw/zinc/74/46/68/776744668.db2.gz RQRRHXAHUCPUSC-IAZYJMLFSA-N 0 3 267.329 -1.183 20 0 CAADHN Cc1cnn(C)c1C(=O)NCCN[C@H](C)C(N)=O ZINC001132548439 776744689 /nfs/dbraw/zinc/74/46/89/776744689.db2.gz MBRJMJDWEXJBJL-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN CC(C)[C@H](F)C(=O)NCCNCC(=O)NC(N)=O ZINC001132553122 776744726 /nfs/dbraw/zinc/74/47/26/776744726.db2.gz DAWLQEYUVFJQLD-QMMMGPOBSA-N 0 3 262.285 -1.119 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605383 776744801 /nfs/dbraw/zinc/74/48/01/776744801.db2.gz NMJGDBBWZVNPGF-LOKLDPHHSA-N 0 3 281.312 -1.610 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132612518 776744973 /nfs/dbraw/zinc/74/49/73/776744973.db2.gz INVQFIXPDBHQFO-IUCAKERBSA-N 0 3 270.333 -1.695 20 0 CAADHN Cc1cnn(C)c1C(=O)NCCNCC(=O)NC(N)=O ZINC001132549233 776745006 /nfs/dbraw/zinc/74/50/06/776745006.db2.gz ZLSVTVVGQAABJR-UHFFFAOYSA-N 0 3 282.304 -1.757 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c(C)cnn1C ZINC001132548145 776745025 /nfs/dbraw/zinc/74/50/25/776745025.db2.gz CMKYQOIFBPROFX-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)NC(N)=O ZINC001132616506 776745698 /nfs/dbraw/zinc/74/56/98/776745698.db2.gz YCJZGTPQWPNJJX-HXFLIBJXSA-N 0 3 284.316 -1.832 20 0 CAADHN CN1CC[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1=O ZINC001132608294 776745734 /nfs/dbraw/zinc/74/57/34/776745734.db2.gz BHPPGOMIFVZIRN-JTQLQIEISA-N 0 3 282.344 -1.551 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1=O ZINC001132608616 776745751 /nfs/dbraw/zinc/74/57/51/776745751.db2.gz HDXBJUNCFHZBDH-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCN(C)C1=O)C(N)=O ZINC001132625035 776745823 /nfs/dbraw/zinc/74/58/23/776745823.db2.gz WAJBMXMNPVWEOE-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(=O)NC(N)=O ZINC001132616507 776745910 /nfs/dbraw/zinc/74/59/10/776745910.db2.gz YCJZGTPQWPNJJX-RBXMUDONSA-N 0 3 284.316 -1.832 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132608809 776745934 /nfs/dbraw/zinc/74/59/34/776745934.db2.gz JQBZAUVLCFWPQG-MRVPVSSYSA-N 0 3 256.306 -2.084 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCN(C)C1=O)C(=O)NC1CC1 ZINC001132625340 776746013 /nfs/dbraw/zinc/74/60/13/776746013.db2.gz ZNLNGXUOZBQHBP-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN CN1CC[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1=O ZINC001132608344 776746054 /nfs/dbraw/zinc/74/60/54/776746054.db2.gz CSVBSPPXSCCMAK-JTQLQIEISA-N 0 3 282.344 -1.597 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCN(C)C1=O)C(=O)NC1CC1 ZINC001132625342 776746073 /nfs/dbraw/zinc/74/60/73/776746073.db2.gz ZNLNGXUOZBQHBP-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCN(C)C1=O)C(N)=O ZINC001132608415 776746143 /nfs/dbraw/zinc/74/61/43/776746143.db2.gz DMXONNRVNLTPEL-JGVFFNPUSA-N 0 3 256.306 -1.956 20 0 CAADHN CN1CC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1=O ZINC001132608571 776746151 /nfs/dbraw/zinc/74/61/51/776746151.db2.gz GJPUUDOXDLVZLN-ZETCQYMHSA-N 0 3 285.304 -2.635 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCN(C)C1=O)C(N)=O ZINC001132625036 776746171 /nfs/dbraw/zinc/74/61/71/776746171.db2.gz WAJBMXMNPVWEOE-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCN(C)C1=O)C(=O)N(C)C ZINC001132624967 776746313 /nfs/dbraw/zinc/74/63/13/776746313.db2.gz URGMXVGWXHROTE-VHSXEESVSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCN(C)C1=O)C(=O)NC(N)=O ZINC001132625332 776746244 /nfs/dbraw/zinc/74/62/44/776746244.db2.gz ZILWTENVKFNUQP-JGVFFNPUSA-N 0 3 299.331 -2.246 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132608810 776746261 /nfs/dbraw/zinc/74/62/61/776746261.db2.gz JQBZAUVLCFWPQG-QMMMGPOBSA-N 0 3 256.306 -2.084 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132608328 776746329 /nfs/dbraw/zinc/74/63/29/776746329.db2.gz CISONTLIEVSDPU-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@H]2CCN(C)C2=O)C1=O ZINC001132624310 776746417 /nfs/dbraw/zinc/74/64/17/776746417.db2.gz MQGPMQYQYXRFDJ-ZJUUUORDSA-N 0 3 282.344 -1.599 20 0 CAADHN CN1CC[C@H](C(=O)NCCNCC(=O)N2CCCC2)C1=O ZINC001132608844 776746434 /nfs/dbraw/zinc/74/64/34/776746434.db2.gz KPGQXFXPEGTABR-LLVKDONJSA-N 0 3 296.371 -1.207 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001132616020 776746698 /nfs/dbraw/zinc/74/66/98/776746698.db2.gz FHCYAAUCOGSBRL-YTWAJWBKSA-N 0 3 267.329 -1.185 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1csc(=O)[nH]1 ZINC001132647946 776747362 /nfs/dbraw/zinc/74/73/62/776747362.db2.gz ZIJYXLJVMPDIBM-LURJTMIESA-N 0 3 298.324 -1.027 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1=O ZINC001132609161 776747425 /nfs/dbraw/zinc/74/74/25/776747425.db2.gz RKYDWXQZMREROY-BDAKNGLRSA-N 0 3 296.327 -2.024 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132609395 776747543 /nfs/dbraw/zinc/74/75/43/776747543.db2.gz XXUGHAJQNDYHJF-MRVPVSSYSA-N 0 3 299.331 -2.374 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132609396 776747573 /nfs/dbraw/zinc/74/75/73/776747573.db2.gz XXUGHAJQNDYHJF-QMMMGPOBSA-N 0 3 299.331 -2.374 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1=O ZINC001132609294 776747768 /nfs/dbraw/zinc/74/77/68/776747768.db2.gz VQDNQOSRXAULPB-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1=O ZINC001132609164 776747791 /nfs/dbraw/zinc/74/77/91/776747791.db2.gz RKYDWXQZMREROY-RKDXNWHRSA-N 0 3 296.327 -2.024 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1=O ZINC001132609131 776748105 /nfs/dbraw/zinc/74/81/05/776748105.db2.gz QOBSTMNJFBALNA-RKDXNWHRSA-N 0 3 268.317 -1.941 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1c(C)nc[n-]c1=O ZINC001132706492 776748220 /nfs/dbraw/zinc/74/82/20/776748220.db2.gz KDVDYYYNPVICSJ-MRVPVSSYSA-N 0 3 281.316 -1.055 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1csc(=O)[nH]1 ZINC001132644166 776748378 /nfs/dbraw/zinc/74/83/78/776748378.db2.gz ZDXPYWCOANCYRO-UHFFFAOYSA-N 0 3 287.301 -1.637 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCC(=O)N2C)C1=O ZINC001132764697 776750437 /nfs/dbraw/zinc/75/04/37/776750437.db2.gz XGKDGOFUUIAGME-VHSXEESVSA-N 0 3 282.344 -1.456 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2CCC(=O)N2C)C1=O ZINC001132764374 776750524 /nfs/dbraw/zinc/75/05/24/776750524.db2.gz RJMBLMPOCZCFHA-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC(=O)N1C)C(=O)NC(N)=O ZINC001132767636 776750545 /nfs/dbraw/zinc/75/05/45/776750545.db2.gz MPENHPMQKISEOK-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001132763115 776750582 /nfs/dbraw/zinc/75/05/82/776750582.db2.gz WQQRPFOHDDHGME-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001132763070 776750754 /nfs/dbraw/zinc/75/07/54/776750754.db2.gz VZBRCGJIGUUVSD-RKDXNWHRSA-N 0 3 268.317 -1.799 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001132764431 776750786 /nfs/dbraw/zinc/75/07/86/776750786.db2.gz SUUJXUAZYSPSKG-DTWKUNHWSA-N 0 3 296.327 -1.882 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC(=O)N1C)C(=O)N(C)C ZINC001132764619 776750805 /nfs/dbraw/zinc/75/08/05/776750805.db2.gz VGISDPKZCOXBHK-VHSXEESVSA-N 0 3 284.360 -1.210 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1C ZINC001132762534 776751342 /nfs/dbraw/zinc/75/13/42/776751342.db2.gz OFKPXMPKSHDIGJ-SECBINFHSA-N 0 3 270.333 -1.599 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001132763090 776751369 /nfs/dbraw/zinc/75/13/69/776751369.db2.gz WCHWRQRSFIBYBI-SNVBAGLBSA-N 0 3 282.344 -1.455 20 0 CAADHN C[C@H](NCCNC(=O)Cc1cnoc1)C(=O)NC(N)=O ZINC001132758523 776751458 /nfs/dbraw/zinc/75/14/58/776751458.db2.gz BDPCRYVRWQBLKZ-ZETCQYMHSA-N 0 3 283.288 -1.494 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001132761765 776751607 /nfs/dbraw/zinc/75/16/07/776751607.db2.gz BDYGUBPPHMRZJV-SNVBAGLBSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1C ZINC001132763210 776751656 /nfs/dbraw/zinc/75/16/56/776751656.db2.gz YVMXFFABACNLET-MRVPVSSYSA-N 0 3 299.331 -2.231 20 0 CAADHN CC(C)N1C(=O)CC[C@H]1C(=O)NCCNCC(N)=O ZINC001132798325 776751755 /nfs/dbraw/zinc/75/17/55/776751755.db2.gz KWSNIYMNZZDGCQ-VIFPVBQESA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CN(C(C)C)CCO1 ZINC001132848852 776752308 /nfs/dbraw/zinc/75/23/08/776752308.db2.gz UHJULPOGYORCIX-LLVKDONJSA-N 0 3 286.376 -1.453 20 0 CAADHN CC(C)N1CCO[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001132858836 776752438 /nfs/dbraw/zinc/75/24/38/776752438.db2.gz LNPYPFWXFFRABT-NEPJUHHUSA-N 0 3 298.387 -1.310 20 0 CAADHN Cc1nc(C(=O)NCCNCC(=O)NC(N)=O)cs1 ZINC001132822006 776752509 /nfs/dbraw/zinc/75/25/09/776752509.db2.gz FDESMEJFIJUHQJ-UHFFFAOYSA-N 0 3 285.329 -1.034 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@]1(F)CCOC1 ZINC001132867733 776753039 /nfs/dbraw/zinc/75/30/39/776753039.db2.gz NEFTUOVFDLVIHQ-LLVKDONJSA-N 0 3 261.297 -1.043 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@]1(F)CCOC1 ZINC001132867883 776753156 /nfs/dbraw/zinc/75/31/56/776753156.db2.gz QVAJYEUGZYNEMP-LDYMZIIASA-N 0 3 259.281 -1.291 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@]1(F)CCOC1)C(=O)NC(N)=O ZINC001132867601 776753194 /nfs/dbraw/zinc/75/31/94/776753194.db2.gz JLFJVHMQAOKWNI-RDDDGLTNSA-N 0 3 290.295 -1.596 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@]1(F)CCOC1 ZINC001132852192 776753300 /nfs/dbraw/zinc/75/33/00/776753300.db2.gz JHCYUAXNDKLSID-QPUJVOFHSA-N 0 3 287.291 -1.374 20 0 CAADHN C[C@H](NCCNC(=O)COc1cnn(C)c1)C(=O)N(C)C ZINC001132964672 776753845 /nfs/dbraw/zinc/75/38/45/776753845.db2.gz ZZMPGLCIYWHTSZ-JTQLQIEISA-N 0 3 297.359 -1.019 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1ncccc1F ZINC001132898560 776753882 /nfs/dbraw/zinc/75/38/82/776753882.db2.gz QYCMJGSWWRXUBY-UHFFFAOYSA-N 0 3 297.290 -1.336 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnc(C)n1C ZINC001132889842 776754029 /nfs/dbraw/zinc/75/40/29/776754029.db2.gz SZVACUVHCAEBRM-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccoc1CC(N)=O ZINC001132947328 776754044 /nfs/dbraw/zinc/75/40/44/776754044.db2.gz MKXZZZQUHAYHIT-UHFFFAOYSA-N 0 3 282.300 -1.627 20 0 CAADHN C[C@@H]1CCN(C(=O)c2cn[n-]n2)C[C@@H]1C[NH2+]CC(N)=O ZINC001132945538 776754146 /nfs/dbraw/zinc/75/41/46/776754146.db2.gz MSNGHMCIHKFTBV-BDAKNGLRSA-N 0 3 280.332 -1.022 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCc2nnn(C)c2C1)C(N)=O ZINC001132920777 776754166 /nfs/dbraw/zinc/75/41/66/776754166.db2.gz NXNFYWPGOLGYLE-BDAKNGLRSA-N 0 3 294.359 -1.500 20 0 CAADHN Cc1ncc(C(=O)NCCNCC(=O)NC(N)=O)n1C ZINC001132889328 776754372 /nfs/dbraw/zinc/75/43/72/776754372.db2.gz AAVRSPPVSMXQFJ-UHFFFAOYSA-N 0 3 282.304 -1.757 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC001132895842 776754276 /nfs/dbraw/zinc/75/42/76/776754276.db2.gz NWKKFIGMYMNMEL-JTQLQIEISA-N 0 3 293.371 -1.023 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1 ZINC001132924149 776754311 /nfs/dbraw/zinc/75/43/11/776754311.db2.gz XKMJREPXSSDMBW-UHFFFAOYSA-N 0 3 292.299 -1.271 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)C(N)=O ZINC001132926510 776754478 /nfs/dbraw/zinc/75/44/78/776754478.db2.gz BSUCPOPHESFSNZ-ZCFIWIBFSA-N 0 3 292.299 -1.143 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCc2nnn(C)c2C1)C(N)=O ZINC001132920780 776754570 /nfs/dbraw/zinc/75/45/70/776754570.db2.gz NXNFYWPGOLGYLE-RKDXNWHRSA-N 0 3 294.359 -1.500 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001132895843 776754623 /nfs/dbraw/zinc/75/46/23/776754623.db2.gz NWKKFIGMYMNMEL-SNVBAGLBSA-N 0 3 293.371 -1.023 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc2[nH]c(=O)[nH]c2n1)C(N)=O ZINC001132926509 776754642 /nfs/dbraw/zinc/75/46/42/776754642.db2.gz BSUCPOPHESFSNZ-LURJTMIESA-N 0 3 292.299 -1.143 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@@H]2CCNC2=O)n1C ZINC001132889805 776754740 /nfs/dbraw/zinc/75/47/40/776754740.db2.gz SLYCIUKHSCNWEL-SECBINFHSA-N 0 3 265.317 -1.064 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@@H](C)C(N)=O)n1C ZINC001132889418 776754913 /nfs/dbraw/zinc/75/49/13/776754913.db2.gz DGKFTEFLKYHSCE-ZETCQYMHSA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@H]1CCN(C(=O)c2cn[n-]n2)C[C@@H]1C[NH2+]CC(N)=O ZINC001132945540 776754995 /nfs/dbraw/zinc/75/49/95/776754995.db2.gz MSNGHMCIHKFTBV-IUCAKERBSA-N 0 3 280.332 -1.022 20 0 CAADHN C[C@H](NCCNC(=O)COc1cnn(C)c1)C(N)=O ZINC001132964592 776755032 /nfs/dbraw/zinc/75/50/32/776755032.db2.gz VZTJKWBTUCCBKV-QMMMGPOBSA-N 0 3 269.305 -1.622 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)COc1cnn(C)c1 ZINC001132961010 776755038 /nfs/dbraw/zinc/75/50/38/776755038.db2.gz DGQIIWOHCVZBKH-UHFFFAOYSA-N 0 3 297.359 -1.017 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@H]2CCNC2=O)n1C ZINC001132889807 776755089 /nfs/dbraw/zinc/75/50/89/776755089.db2.gz SLYCIUKHSCNWEL-VIFPVBQESA-N 0 3 265.317 -1.064 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133016482 776755495 /nfs/dbraw/zinc/75/54/95/776755495.db2.gz YKXDJYWZIYGTLA-UHFFFAOYSA-N 0 3 296.287 -2.455 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133015866 776756060 /nfs/dbraw/zinc/75/60/60/776756060.db2.gz IMQXNPYRCKCTQW-UHFFFAOYSA-N 0 3 281.316 -1.386 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCCc2nn[nH]c21 ZINC001133000972 776756188 /nfs/dbraw/zinc/75/61/88/776756188.db2.gz OXUZKDMEAVNTOF-WCBMZHEXSA-N 0 3 292.343 -1.181 20 0 CAADHN O=C(CNCCNC(=O)c1c[nH]c(=O)cn1)NC1CC1 ZINC001133015859 776756612 /nfs/dbraw/zinc/75/66/12/776756612.db2.gz IFYXGPOWDQKSNJ-UHFFFAOYSA-N 0 3 279.300 -1.632 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133009700 776757790 /nfs/dbraw/zinc/75/77/90/776757790.db2.gz PVZWQHCFPGAYRO-ZETCQYMHSA-N 0 3 267.289 -1.776 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2c[nH]c(=O)cn2)C1=O ZINC001133013517 776757246 /nfs/dbraw/zinc/75/72/46/776757246.db2.gz MMAVZKAQFOOWIA-MRVPVSSYSA-N 0 3 279.300 -1.680 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133009699 776757385 /nfs/dbraw/zinc/75/73/85/776757385.db2.gz PVZWQHCFPGAYRO-SSDOTTSWSA-N 0 3 267.289 -1.776 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1c[nH]c(=O)cn1 ZINC001133009787 776757776 /nfs/dbraw/zinc/75/77/76/776757776.db2.gz TWOHQAKDZWJXJY-SSDOTTSWSA-N 0 3 293.283 -2.106 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133009620 776757837 /nfs/dbraw/zinc/75/78/37/776757837.db2.gz MDNWWDJWKDMZBH-UHFFFAOYSA-N 0 3 253.262 -2.165 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)c2c[nH]c(=O)cn2)C1=O ZINC001133009794 776757866 /nfs/dbraw/zinc/75/78/66/776757866.db2.gz UFBMGTOMEYFGLR-VIFPVBQESA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@H](NCCNC(=O)c1c[nH]c(=O)cn1)C(=O)N(C)C ZINC001133009597 776757944 /nfs/dbraw/zinc/75/79/44/776757944.db2.gz LIGYIEMPFNYIPR-QMMMGPOBSA-N 0 3 281.316 -1.434 20 0 CAADHN C[C@H](NCCNC(=O)c1c[nH]c(=O)cn1)C(=O)NC1CC1 ZINC001133013530 776757966 /nfs/dbraw/zinc/75/79/66/776757966.db2.gz MZKQLCSIGZGNBA-QMMMGPOBSA-N 0 3 293.327 -1.244 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CNC(=O)N1)NC1CC1 ZINC001133111737 776759258 /nfs/dbraw/zinc/75/92/58/776759258.db2.gz MWIOFQPAKAYYIJ-MRVPVSSYSA-N 0 3 269.305 -2.348 20 0 CAADHN Cc1nn(C)cc1CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111591 776759348 /nfs/dbraw/zinc/75/93/48/776759348.db2.gz HRCZPYKNEZJJRS-SNVBAGLBSA-N 0 3 280.332 -1.384 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CNC(=O)N1)C(=O)N(C)C ZINC001133114978 776760456 /nfs/dbraw/zinc/76/04/56/776760456.db2.gz CHPDJNNBJFYAEN-SFYZADRCSA-N 0 3 271.321 -2.150 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133112271 776760430 /nfs/dbraw/zinc/76/04/30/776760430.db2.gz YLODTQCULFTZCI-IUCAKERBSA-N 0 3 285.348 -1.712 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CNC(=O)N1 ZINC001133114934 776760486 /nfs/dbraw/zinc/76/04/86/776760486.db2.gz BFZFJDKSILUDQS-YUMQZZPRSA-N 0 3 269.305 -2.348 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111949 776760511 /nfs/dbraw/zinc/76/05/11/776760511.db2.gz UPVIOXRZNIEFKT-SECBINFHSA-N 0 3 285.348 -1.710 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111879 776760636 /nfs/dbraw/zinc/76/06/36/776760636.db2.gz QVKICLXTXYUAAJ-MRVPVSSYSA-N 0 3 271.321 -2.102 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133112269 776760711 /nfs/dbraw/zinc/76/07/11/776760711.db2.gz YLODTQCULFTZCI-BDAKNGLRSA-N 0 3 285.348 -1.712 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133114896 776760716 /nfs/dbraw/zinc/76/07/16/776760716.db2.gz AYSRVDIUTUYXOV-JTQLQIEISA-N 0 3 297.359 -1.758 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133112169 776760741 /nfs/dbraw/zinc/76/07/41/776760741.db2.gz XDWUTVHNKFKLEA-RXMQYKEDSA-N 0 3 272.265 -3.432 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133112270 776760833 /nfs/dbraw/zinc/76/08/33/776760833.db2.gz YLODTQCULFTZCI-DTWKUNHWSA-N 0 3 285.348 -1.712 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111880 776760944 /nfs/dbraw/zinc/76/09/44/776760944.db2.gz QVKICLXTXYUAAJ-QMMMGPOBSA-N 0 3 271.321 -2.102 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133115263 776761418 /nfs/dbraw/zinc/76/14/18/776761418.db2.gz JCPAOGXPTTXXGN-RKDXNWHRSA-N 0 3 283.332 -2.006 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133115561 776761967 /nfs/dbraw/zinc/76/19/67/776761967.db2.gz POFDDRHKKWMMST-RKDXNWHRSA-N 0 3 283.332 -2.006 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1CNC(=O)N1 ZINC001133115376 776762115 /nfs/dbraw/zinc/76/21/15/776762115.db2.gz LVWBLGIXLUKLJE-RNFRBKRXSA-N 0 3 283.288 -2.821 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CNC(=O)N1)C(=O)NC(N)=O ZINC001133120969 776762838 /nfs/dbraw/zinc/76/28/38/776762838.db2.gz DSKDWNBWDAXHSJ-PHDIDXHHSA-N 0 3 286.292 -3.043 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CNC(=O)N1)C(=O)NC(C)(C)C ZINC001133121532 776762920 /nfs/dbraw/zinc/76/29/20/776762920.db2.gz JUWBKOGZLGFEJN-RKDXNWHRSA-N 0 3 299.375 -1.323 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133118411 776763206 /nfs/dbraw/zinc/76/32/06/776763206.db2.gz JILWIAJRNNGHAG-SSDOTTSWSA-N 0 3 293.349 -3.077 20 0 CAADHN CCC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121002 776763221 /nfs/dbraw/zinc/76/32/21/776763221.db2.gz FLTQLGOJYYXTDA-VHSXEESVSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NC1CC1 ZINC001133121881 776763227 /nfs/dbraw/zinc/76/32/27/776763227.db2.gz NOIVKERQKTTXLD-APPZFPTMSA-N 0 3 283.332 -1.959 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001133121413 776763249 /nfs/dbraw/zinc/76/32/49/776763249.db2.gz IIOQCFBEMFXCHX-WCBMZHEXSA-N 0 3 297.359 -1.712 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133118412 776763274 /nfs/dbraw/zinc/76/32/74/776763274.db2.gz JILWIAJRNNGHAG-ZETCQYMHSA-N 0 3 293.349 -3.077 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133118615 776763346 /nfs/dbraw/zinc/76/33/46/776763346.db2.gz PPJDWTWWJMZNIS-JGVFFNPUSA-N 0 3 269.305 -2.396 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CNC(=O)N1)N1CCC1 ZINC001133128580 776763969 /nfs/dbraw/zinc/76/39/69/776763969.db2.gz HYOBCKGGUQCLSH-QMMMGPOBSA-N 0 3 269.305 -2.394 20 0 CAADHN O=C(NCCNCc1cccnc1)[C@@H]1CNC(=O)N1 ZINC001133128420 776764001 /nfs/dbraw/zinc/76/40/01/776764001.db2.gz DEUYFVIJEWXYJX-JTQLQIEISA-N 0 3 263.301 -1.031 20 0 CAADHN C[C@@H](NCCNC(=O)CCCS(N)(=O)=O)C(N)=O ZINC001133151765 776765791 /nfs/dbraw/zinc/76/57/91/776765791.db2.gz JANRMVYCXXOTLR-SSDOTTSWSA-N 0 3 280.350 -2.365 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CNC(=O)N1)N1CCCCC1 ZINC001133128981 776764115 /nfs/dbraw/zinc/76/41/15/776764115.db2.gz SEFMBRNJEDGACB-JTQLQIEISA-N 0 3 297.359 -1.614 20 0 CAADHN CN1CCO[C@H]2CN(C(=O)[C@H](N)CCCNC(N)=O)C[C@H]21 ZINC001158804753 776764282 /nfs/dbraw/zinc/76/42/82/776764282.db2.gz VARBOBBPXGXPHK-MXWKQRLJSA-N 0 3 299.375 -1.696 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CNC(=O)N1)NCC1CCC1 ZINC001133128586 776764369 /nfs/dbraw/zinc/76/43/69/776764369.db2.gz HZLSCWJXSYDGKC-SNVBAGLBSA-N 0 3 297.359 -1.710 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CNC(=O)N1)N1CCCC1 ZINC001133122111 776764388 /nfs/dbraw/zinc/76/43/88/776764388.db2.gz RDPJDJYEKDDBNT-SECBINFHSA-N 0 3 283.332 -2.004 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CNC(=O)N1)N1CCCCC1 ZINC001133128982 776764407 /nfs/dbraw/zinc/76/44/07/776764407.db2.gz SEFMBRNJEDGACB-SNVBAGLBSA-N 0 3 297.359 -1.614 20 0 CAADHN COc1cc(CNCCNC(=O)[C@@H]2CNC(=O)N2)ccn1 ZINC001133128788 776764448 /nfs/dbraw/zinc/76/44/48/776764448.db2.gz NMZQMESNFLFCST-JTQLQIEISA-N 0 3 293.327 -1.023 20 0 CAADHN O=C(NCCNCc1cccnc1)[C@H]1CNC(=O)N1 ZINC001133128421 776764511 /nfs/dbraw/zinc/76/45/11/776764511.db2.gz DEUYFVIJEWXYJX-SNVBAGLBSA-N 0 3 263.301 -1.031 20 0 CAADHN COc1cc(CNCCNC(=O)[C@H]2CNC(=O)N2)ccn1 ZINC001133128789 776764530 /nfs/dbraw/zinc/76/45/30/776764530.db2.gz NMZQMESNFLFCST-SNVBAGLBSA-N 0 3 293.327 -1.023 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001133122285 776764710 /nfs/dbraw/zinc/76/47/10/776764710.db2.gz RYAPFYYACLNVRZ-SECBINFHSA-N 0 3 283.332 -2.006 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133122414 776764724 /nfs/dbraw/zinc/76/47/24/776764724.db2.gz UVYZPABWQWLJSF-UWVGGRQHSA-N 0 3 299.375 -1.466 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001133122345 776764879 /nfs/dbraw/zinc/76/48/79/776764879.db2.gz SSEBZCDALLUPGK-ZJUUUORDSA-N 0 3 297.359 -1.617 20 0 CAADHN CCC(CC)NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122544 776764889 /nfs/dbraw/zinc/76/48/89/776764889.db2.gz VRRLZHVUHLBLTB-SNVBAGLBSA-N 0 3 299.375 -1.322 20 0 CAADHN NS(=O)(=O)CCCC(=O)NCCN[C@H]1CCNC1=O ZINC001133151493 776765410 /nfs/dbraw/zinc/76/54/10/776765410.db2.gz ASJQXEWUNDTJDL-QMMMGPOBSA-N 0 3 292.361 -2.351 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133187863 776765495 /nfs/dbraw/zinc/76/54/95/776765495.db2.gz JQTRIVPVSRVXFR-SECBINFHSA-N 0 3 284.360 -1.128 20 0 CAADHN NS(=O)(=O)CCCC(=O)NCCNCCF ZINC001133152304 776765546 /nfs/dbraw/zinc/76/55/46/776765546.db2.gz WESKZIQSZIXGBB-UHFFFAOYSA-N 0 3 255.315 -1.270 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CNC(=O)N1)NCC1CC1 ZINC001133129022 776765622 /nfs/dbraw/zinc/76/56/22/776765622.db2.gz UFBGBBDIGYARAP-SECBINFHSA-N 0 3 283.332 -2.100 20 0 CAADHN C[C@@H]1CCN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+]CC(N)=O ZINC001133181956 776765646 /nfs/dbraw/zinc/76/56/46/776765646.db2.gz LRMRSBHJIFCOGD-RKDXNWHRSA-N 0 3 280.332 -1.022 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CNC(=O)N1)NCC1CC1 ZINC001133129023 776765725 /nfs/dbraw/zinc/76/57/25/776765725.db2.gz UFBGBBDIGYARAP-VIFPVBQESA-N 0 3 283.332 -2.100 20 0 CAADHN NC(=O)C1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC1 ZINC001133187428 776765754 /nfs/dbraw/zinc/76/57/54/776765754.db2.gz CSWRLEGRJFDNSV-ZETCQYMHSA-N 0 3 282.300 -2.237 20 0 CAADHN NC(=O)C1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001133187423 776765986 /nfs/dbraw/zinc/76/59/86/776765986.db2.gz CSWRLEGRJFDNSV-SSDOTTSWSA-N 0 3 282.300 -2.237 20 0 CAADHN NS(=O)(=O)CCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001133151492 776766163 /nfs/dbraw/zinc/76/61/63/776766163.db2.gz ASJQXEWUNDTJDL-MRVPVSSYSA-N 0 3 292.361 -2.351 20 0 CAADHN C[C@H]1CCN(C(=O)c2nc[n-]n2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133181955 776766217 /nfs/dbraw/zinc/76/62/17/776766217.db2.gz LRMRSBHJIFCOGD-IUCAKERBSA-N 0 3 280.332 -1.022 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133129375 776766306 /nfs/dbraw/zinc/76/63/06/776766306.db2.gz XQURSXLSAIMCJG-SECBINFHSA-N 0 3 266.305 -1.693 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133184776 776766688 /nfs/dbraw/zinc/76/66/88/776766688.db2.gz GGXKZDBJZGPEDV-UHFFFAOYSA-N 0 3 270.333 -1.564 20 0 CAADHN NC(=O)C1(C(=O)NCCNCC(=O)NCC2CCC2)CC1 ZINC001133185197 776766786 /nfs/dbraw/zinc/76/67/86/776766786.db2.gz YKAQFYHIALDPQJ-UHFFFAOYSA-N 0 3 296.371 -1.126 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133187681 776766818 /nfs/dbraw/zinc/76/68/18/776766818.db2.gz GFCYXBPBFXXKMW-UHFFFAOYSA-N 0 3 271.277 -2.847 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133187736 776767306 /nfs/dbraw/zinc/76/73/06/776767306.db2.gz HWZFJRAWKFQCEB-UHFFFAOYSA-N 0 3 285.304 -2.587 20 0 CAADHN NC(=O)C1(C(=O)NCCNCC(=O)N2CCCC2)CC1 ZINC001133185218 776767527 /nfs/dbraw/zinc/76/75/27/776767527.db2.gz ZPUNWPUFJGHNSK-UHFFFAOYSA-N 0 3 282.344 -1.420 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133187708 776767666 /nfs/dbraw/zinc/76/76/66/776767666.db2.gz HPVYKUNJGNZJLF-UHFFFAOYSA-N 0 3 284.360 -1.126 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133188121 776768303 /nfs/dbraw/zinc/76/83/03/776768303.db2.gz QTDZNPQSRRAXIZ-UHFFFAOYSA-N 0 3 256.306 -1.954 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001133189017 776768228 /nfs/dbraw/zinc/76/82/28/776768228.db2.gz JNLQVSXFEJVHAF-SECBINFHSA-N 0 3 296.371 -1.128 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001133188429 776768404 /nfs/dbraw/zinc/76/84/04/776768404.db2.gz ZAXQPAXKMIKJON-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C1(C(N)=O)CC1 ZINC001133189031 776768419 /nfs/dbraw/zinc/76/84/19/776768419.db2.gz JVTIBYBTGZNLJL-ZETCQYMHSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@@H](NCCNC(=O)C1(C(N)=O)CC1)C(=O)NC(N)=O ZINC001133188825 776768575 /nfs/dbraw/zinc/76/85/75/776768575.db2.gz ATGAWHSZSJFNFI-ZCFIWIBFSA-N 0 3 285.304 -2.459 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C1(C(N)=O)CC1 ZINC001133189079 776768696 /nfs/dbraw/zinc/76/86/96/776768696.db2.gz LJIXRAQLNBZYIN-ZETCQYMHSA-N 0 3 299.331 -2.198 20 0 CAADHN Cc1ccccc1OC[C@@H](O)CNCCNC(=O)C(N)=O ZINC001133201246 776768743 /nfs/dbraw/zinc/76/87/43/776768743.db2.gz WICMQTNJNUVPRR-NSHDSACASA-N 0 3 295.339 -1.074 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)C1(C(N)=O)CC1 ZINC001133189368 776768772 /nfs/dbraw/zinc/76/87/72/776768772.db2.gz SROQVFNTBJYITH-UHFFFAOYSA-N 0 3 292.361 -2.493 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001133189332 776768842 /nfs/dbraw/zinc/76/88/42/776768842.db2.gz RCFSVVDESZHAOC-MRVPVSSYSA-N 0 3 268.317 -1.812 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001133189310 776768849 /nfs/dbraw/zinc/76/88/49/776768849.db2.gz QJIBVBMXQRYOKM-JTQLQIEISA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001133189018 776768935 /nfs/dbraw/zinc/76/89/35/776768935.db2.gz JNLQVSXFEJVHAF-VIFPVBQESA-N 0 3 296.371 -1.128 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133188835 776768951 /nfs/dbraw/zinc/76/89/51/776768951.db2.gz BGPIUQAKDUMWGR-UHFFFAOYSA-N 0 3 284.360 -1.270 20 0 CAADHN C[C@H](NCCNC(=O)C1(C(N)=O)CC1)C(=O)NC(N)=O ZINC001133188824 776769043 /nfs/dbraw/zinc/76/90/43/776769043.db2.gz ATGAWHSZSJFNFI-LURJTMIESA-N 0 3 285.304 -2.459 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1(C(N)=O)CC1 ZINC001133189078 776769050 /nfs/dbraw/zinc/76/90/50/776769050.db2.gz LJIXRAQLNBZYIN-SSDOTTSWSA-N 0 3 299.331 -2.198 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)C1(C(N)=O)CC1 ZINC001133189812 776769076 /nfs/dbraw/zinc/76/90/76/776769076.db2.gz ZXQLRNBZDAEPNQ-VIFPVBQESA-N 0 3 284.360 -1.128 20 0 CAADHN COc1cccc([C@H](O)CNCCNC(=O)C(N)=O)c1 ZINC001133198371 776770784 /nfs/dbraw/zinc/77/07/84/776770784.db2.gz VUPHBKSOUUUOFX-LLVKDONJSA-N 0 3 281.312 -1.080 20 0 CAADHN NC(=O)C(=O)NCCNC[C@H](O)COc1ccccc1 ZINC001133197219 776771387 /nfs/dbraw/zinc/77/13/87/776771387.db2.gz XDUSLENUAYMDIT-JTQLQIEISA-N 0 3 281.312 -1.383 20 0 CAADHN CNC(=O)c1ccc(CNCCNC(=O)C(N)=O)cc1 ZINC001133206078 776772804 /nfs/dbraw/zinc/77/28/04/776772804.db2.gz FUBTUSBUDKRFPN-UHFFFAOYSA-N 0 3 278.312 -1.263 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133335055 776775507 /nfs/dbraw/zinc/77/55/07/776775507.db2.gz JBSUDANIIALALK-UHFFFAOYSA-N 0 3 269.305 -1.467 20 0 CAADHN CO[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C(C)C ZINC001133338278 776775601 /nfs/dbraw/zinc/77/56/01/776775601.db2.gz IGOGOQHVLNBADP-RKDXNWHRSA-N 0 3 288.348 -1.053 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)NCC2CC2)[nH]c1=O ZINC001133332126 776775770 /nfs/dbraw/zinc/77/57/70/776775770.db2.gz DPPMZVGCBKBMCF-UHFFFAOYSA-N 0 3 295.343 -1.029 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)c(=O)[nH]1)C(N)=O ZINC001133335449 776775819 /nfs/dbraw/zinc/77/58/19/776775819.db2.gz VCZJJDWIOOBHDQ-ZCFIWIBFSA-N 0 3 255.278 -1.681 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133332849 776776075 /nfs/dbraw/zinc/77/60/75/776776075.db2.gz ZWPMBMRTLNGGPR-UHFFFAOYSA-N 0 3 283.332 -1.077 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)NC2CC2)[nH]c1=O ZINC001133335530 776776167 /nfs/dbraw/zinc/77/61/67/776776167.db2.gz ZDVGYGFELLCQQV-UHFFFAOYSA-N 0 3 281.316 -1.276 20 0 CAADHN C[C@H]1CC[C@@H](CC(=O)NCCNCC(=O)NC(N)=O)O1 ZINC001133322157 776776185 /nfs/dbraw/zinc/77/61/85/776776185.db2.gz HDXVYFATFTZMFM-IUCAKERBSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@@H]1CC[C@H](CC(=O)NCCNCC(=O)NC(N)=O)O1 ZINC001133322158 776776316 /nfs/dbraw/zinc/77/63/16/776776316.db2.gz HDXVYFATFTZMFM-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)[nH]c1=O ZINC001133335386 776776391 /nfs/dbraw/zinc/77/63/91/776776391.db2.gz SBEYTIBLRGVGTB-SSDOTTSWSA-N 0 3 295.299 -1.750 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133335525 776776435 /nfs/dbraw/zinc/77/64/35/776776435.db2.gz YSYKBWCHWQNVOO-UHFFFAOYSA-N 0 3 283.332 -1.030 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCNC2=O)[nH]c1=O ZINC001133334995 776776669 /nfs/dbraw/zinc/77/66/69/776776669.db2.gz GSEWWMPLFWGUOL-SSDOTTSWSA-N 0 3 267.289 -1.666 20 0 CAADHN O=C(CNCCNC(=O)c1n[nH]cc1F)N1CCOCC1 ZINC001133481199 776777324 /nfs/dbraw/zinc/77/73/24/776777324.db2.gz TUXOIKVVVKYAMX-UHFFFAOYSA-N 0 3 299.306 -1.273 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCN(C)C2=O)[nH]c1=O ZINC001133351128 776777398 /nfs/dbraw/zinc/77/73/98/776777398.db2.gz RBJSSDMVYVBMIL-QMMMGPOBSA-N 0 3 281.316 -1.324 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133467855 776777415 /nfs/dbraw/zinc/77/74/15/776777415.db2.gz QFGRZFLQMMUJLD-NSHDSACASA-N 0 3 256.306 -1.893 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1n[nH]cc1F ZINC001133467248 776777756 /nfs/dbraw/zinc/77/77/56/776777756.db2.gz ANLZQGGZTMISIK-SSDOTTSWSA-N 0 3 283.263 -1.327 20 0 CAADHN CC(F)(F)CC(=O)NCCNCC(=O)NC(N)=O ZINC001133430396 776777845 /nfs/dbraw/zinc/77/78/45/776777845.db2.gz QESOZIQCIRDOLL-UHFFFAOYSA-N 0 3 266.248 -1.068 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)N2CCCC2)CCC(=O)N1 ZINC001133467878 776777877 /nfs/dbraw/zinc/77/78/77/776777877.db2.gz REUUOBDFALFBFT-AWEZNQCLSA-N 0 3 296.371 -1.017 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CC1=CCOCC1 ZINC001133398634 776777987 /nfs/dbraw/zinc/77/79/87/776777987.db2.gz GSQGXWBAAWSQAO-UHFFFAOYSA-N 0 3 298.343 -1.115 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NC(N)=O)CCC(=O)N1 ZINC001133467896 776778019 /nfs/dbraw/zinc/77/80/19/776778019.db2.gz RUWDUMMZJLJVBT-NSHDSACASA-N 0 3 285.304 -2.444 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)c(=O)[nH]1)C(=O)N(C)C ZINC001133347487 776778211 /nfs/dbraw/zinc/77/82/11/776778211.db2.gz DEOUIWCYKOMJGV-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133467425 776778453 /nfs/dbraw/zinc/77/84/53/776778453.db2.gz HZAIVBUXUVKVLZ-LBPRGKRZSA-N 0 3 270.333 -1.551 20 0 CAADHN CO[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C(C)C ZINC001133347311 776778511 /nfs/dbraw/zinc/77/85/11/776778511.db2.gz BIEWJUDZQNDITD-SNVBAGLBSA-N 0 3 295.405 -1.088 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001133513350 776778886 /nfs/dbraw/zinc/77/88/86/776778886.db2.gz OIJQMNQHFHHBOW-JGVFFNPUSA-N 0 3 290.320 -2.063 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@]2(C)CCC(=O)N2)C1=O ZINC001133478001 776778954 /nfs/dbraw/zinc/77/89/54/776778954.db2.gz AYCGMJDTXWTMQT-RNCFNFMXSA-N 0 3 282.344 -1.408 20 0 CAADHN Cc1c(C(=O)NCCNCC(=O)NC(N)=O)ccn1C ZINC001133491046 776779562 /nfs/dbraw/zinc/77/95/62/776779562.db2.gz BDPHMQVJKQXUGI-UHFFFAOYSA-N 0 3 281.316 -1.152 20 0 CAADHN COC[C@H](OC)C(=O)NCCNCC(=O)NC(N)=O ZINC001133509288 776779622 /nfs/dbraw/zinc/77/96/22/776779622.db2.gz NIPBYKBEBRHTKF-ZETCQYMHSA-N 0 3 276.293 -2.452 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCCNC2=O)CCC(=O)N1 ZINC001133473469 776779743 /nfs/dbraw/zinc/77/97/43/776779743.db2.gz JOPBYJCKIFMNCQ-RNCFNFMXSA-N 0 3 282.344 -1.361 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@]2(C)CCC(=O)N2)C1=O ZINC001133473522 776779800 /nfs/dbraw/zinc/77/98/00/776779800.db2.gz LXFRYKMMFYCAKP-HZMBPMFUSA-N 0 3 296.371 -1.018 20 0 CAADHN COC[C@@H](OC)C(=O)NCCNCC(=O)N(C)C1CC1 ZINC001133512953 776779829 /nfs/dbraw/zinc/77/98/29/776779829.db2.gz KHCBNHYANRJZLO-LLVKDONJSA-N 0 3 287.360 -1.026 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H](COC)OC)C(N)=O ZINC001133508284 776779885 /nfs/dbraw/zinc/77/98/85/776779885.db2.gz GFLVAMISQQKQTJ-BDAKNGLRSA-N 0 3 261.322 -1.383 20 0 CAADHN COC[C@@H](OC)C(=O)NCCNCCNS(C)(=O)=O ZINC001133508230 776779911 /nfs/dbraw/zinc/77/99/11/776779911.db2.gz FAZNDDOXOHSJPJ-SECBINFHSA-N 0 3 297.377 -2.097 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@]2(C)CCC(=O)N2)C1=O ZINC001133478002 776779961 /nfs/dbraw/zinc/77/99/61/776779961.db2.gz AYCGMJDTXWTMQT-ZANVPECISA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H]1COCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133496460 776779977 /nfs/dbraw/zinc/77/99/77/776779977.db2.gz KMLSRIFZFOKUEQ-DTWKUNHWSA-N 0 3 286.332 -1.440 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](COC)OC ZINC001133519799 776781044 /nfs/dbraw/zinc/78/10/44/776781044.db2.gz ZKSXQHKTOYLFBN-RKDXNWHRSA-N 0 3 261.322 -1.512 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](COC)OC ZINC001133517921 776781056 /nfs/dbraw/zinc/78/10/56/776781056.db2.gz XLCAIMKYHZPMBF-SECBINFHSA-N 0 3 261.322 -1.510 20 0 CAADHN COC[C@@H](OC)C(=O)NCCNCC(=O)N1CCC1 ZINC001133513861 776781161 /nfs/dbraw/zinc/78/11/61/776781161.db2.gz ZQCHXOAFWJKIHV-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001133517161 776781169 /nfs/dbraw/zinc/78/11/69/776781169.db2.gz KVGUILYINVNVTR-DTWKUNHWSA-N 0 3 287.316 -1.841 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001133516398 776781370 /nfs/dbraw/zinc/78/13/70/776781370.db2.gz ADOWWBAWPFXSKK-NXEZZACHSA-N 0 3 273.333 -1.368 20 0 CAADHN COC[C@H](OC)C(=O)NCCNCC(=O)N(C)C ZINC001133516939 776781412 /nfs/dbraw/zinc/78/14/12/776781412.db2.gz ICRBSAWNVMGUSQ-VIFPVBQESA-N 0 3 261.322 -1.558 20 0 CAADHN CCc1ncoc1C(=O)NCCNCC(=O)NC(N)=O ZINC001133583978 776782047 /nfs/dbraw/zinc/78/20/47/776782047.db2.gz KITZZLMNEDUELO-UHFFFAOYSA-N 0 3 283.288 -1.249 20 0 CAADHN Cn1c(=O)cccc1C(=O)NCCNCC(=O)NC1CC1 ZINC001133621521 776782165 /nfs/dbraw/zinc/78/21/65/776782165.db2.gz FWCOWBYHBOOMIT-UHFFFAOYSA-N 0 3 292.339 -1.017 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cccc(=O)n1C ZINC001133621510 776782655 /nfs/dbraw/zinc/78/26/55/776782655.db2.gz FPLSQAZCNSLFBA-UHFFFAOYSA-N 0 3 280.328 -1.159 20 0 CAADHN Cn1c(=O)cccc1C(=O)NCCN[C@H]1CCNC1=O ZINC001133621668 776783213 /nfs/dbraw/zinc/78/32/13/776783213.db2.gz MBLGAAOHNOMYNU-VIFPVBQESA-N 0 3 278.312 -1.407 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cccc(=O)n1C ZINC001133643606 776783508 /nfs/dbraw/zinc/78/35/08/776783508.db2.gz RNQMEGDBMVLGCD-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCCC(=O)N1)C(N)=O ZINC001133680810 776783542 /nfs/dbraw/zinc/78/35/42/776783542.db2.gz DHEVZCAGWZWXPO-IUCAKERBSA-N 0 3 270.333 -1.375 20 0 CAADHN Cc1cc(=O)[nH]cc1C(=O)NCCNCC(N)=O ZINC001133656400 776783673 /nfs/dbraw/zinc/78/36/73/776783673.db2.gz DOLAJRRGVSSLIP-UHFFFAOYSA-N 0 3 252.274 -1.100 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1(CF)CC1 ZINC001133631880 776783691 /nfs/dbraw/zinc/78/36/91/776783691.db2.gz JLDAYDSNBZNEKN-UHFFFAOYSA-N 0 3 260.269 -1.363 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccc(=O)n1C)C(N)=O ZINC001133642857 776783742 /nfs/dbraw/zinc/78/37/42/776783742.db2.gz ALZAWIJJMXQTJB-MRVPVSSYSA-N 0 3 266.301 -1.422 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)C1(CF)CC1 ZINC001133639056 776783967 /nfs/dbraw/zinc/78/39/67/776783967.db2.gz ATRFLBXOBOFZBG-UHFFFAOYSA-N 0 3 281.353 -1.009 20 0 CAADHN CC[C@H](NCCNC(=O)c1cccc(=O)n1C)C(N)=O ZINC001133643419 776784117 /nfs/dbraw/zinc/78/41/17/776784117.db2.gz OCFKHJHAJWTHHY-VIFPVBQESA-N 0 3 280.328 -1.031 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133684391 776784489 /nfs/dbraw/zinc/78/44/89/776784489.db2.gz HZYNHYMTZGDDQD-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CCNC1=O)C(=O)NC1CC1 ZINC001133753736 776784575 /nfs/dbraw/zinc/78/45/75/776784575.db2.gz LSWHVZKZVCNVNQ-YMTOWFKASA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc(C(N)=O)co1)C(N)=O ZINC001133704740 776784675 /nfs/dbraw/zinc/78/46/75/776784675.db2.gz OZEODBOESXLWFY-ZCFIWIBFSA-N 0 3 268.273 -1.428 20 0 CAADHN NC(=O)c1coc(C(=O)NCCN[C@H]2CCNC2=O)c1 ZINC001133709799 776784692 /nfs/dbraw/zinc/78/46/92/776784692.db2.gz ZWCFTMXCDFASQE-QMMMGPOBSA-N 0 3 280.284 -1.414 20 0 CAADHN NC(=O)c1coc(C(=O)NCCNCC(=O)N2CCC2)c1 ZINC001133709367 776784740 /nfs/dbraw/zinc/78/47/40/776784740.db2.gz ODWSJBNSTUYRGC-UHFFFAOYSA-N 0 3 294.311 -1.070 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NCC2CC2)CCNC1=O ZINC001133753500 776784824 /nfs/dbraw/zinc/78/48/24/776784824.db2.gz KLTNWIQCSGBIHP-CQSZACIVSA-N 0 3 296.371 -1.255 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@]1(C)CCNC1=O ZINC001133754532 776784837 /nfs/dbraw/zinc/78/48/37/776784837.db2.gz VBHMAGGIQCFNFG-ZDUSSCGKSA-N 0 3 284.360 -1.255 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCCCC(=O)N2)C1=O ZINC001133694417 776785019 /nfs/dbraw/zinc/78/50/19/776785019.db2.gz MXCBLRYEQDJBQB-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@]1(C)CCNC1=O ZINC001133753970 776785047 /nfs/dbraw/zinc/78/50/47/776785047.db2.gz PFFCSGSYDYIIQR-GFCCVEGCSA-N 0 3 270.333 -1.693 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cc(C(N)=O)co1 ZINC001133704421 776785105 /nfs/dbraw/zinc/78/51/05/776785105.db2.gz HPEAJXIDRZHKQS-ZETCQYMHSA-N 0 3 282.300 -1.168 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)NCC2CC2)CCNC1=O ZINC001133753499 776785332 /nfs/dbraw/zinc/78/53/32/776785332.db2.gz KLTNWIQCSGBIHP-AWEZNQCLSA-N 0 3 296.371 -1.255 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cc(C(N)=O)co1 ZINC001133708661 776785360 /nfs/dbraw/zinc/78/53/60/776785360.db2.gz ADYNQJTZPPCBQO-UHFFFAOYSA-N 0 3 282.300 -1.214 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCCCC(=O)N2)C1=O ZINC001133694419 776785425 /nfs/dbraw/zinc/78/54/25/776785425.db2.gz MXCBLRYEQDJBQB-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@]1(C)CCNC1=O ZINC001133753483 776785454 /nfs/dbraw/zinc/78/54/54/776785454.db2.gz KIFLXOMNHRVFSI-LBPRGKRZSA-N 0 3 299.331 -2.326 20 0 CAADHN NC(=O)c1coc(C(=O)NCCN[C@@H]2CCCNC2=O)c1 ZINC001133709312 776785525 /nfs/dbraw/zinc/78/55/25/776785525.db2.gz NAEKOGPQGXWUGW-SECBINFHSA-N 0 3 294.311 -1.024 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CCNC1=O)C(=O)NC1CC1 ZINC001133753733 776785583 /nfs/dbraw/zinc/78/55/83/776785583.db2.gz LSWHVZKZVCNVNQ-LKFCYVNXSA-N 0 3 296.371 -1.115 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@]1(C)CCNC1=O)C1CC1 ZINC001133754517 776785598 /nfs/dbraw/zinc/78/55/98/776785598.db2.gz UXDZFKWJIXLVIP-AWEZNQCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@]1(C(=O)NCCN[C@H]2CCNC2=O)CCNC1=O ZINC001133754761 776786172 /nfs/dbraw/zinc/78/61/72/776786172.db2.gz XBCJTPBZCTXWPR-UFBFGSQYSA-N 0 3 268.317 -1.893 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)NC2CC2)CCNC1=O ZINC001133754750 776786288 /nfs/dbraw/zinc/78/62/88/776786288.db2.gz WZBGUNIDAIZXGX-ZDUSSCGKSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)N2CCCC2)CCNC1=O ZINC001133754634 776786435 /nfs/dbraw/zinc/78/64/35/776786435.db2.gz VUJAQZAFXMAROY-CQSZACIVSA-N 0 3 296.371 -1.159 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133770682 776786524 /nfs/dbraw/zinc/78/65/24/776786524.db2.gz DXNXJNQFCKVCIK-JGVFFNPUSA-N 0 3 272.305 -2.529 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCNCC(=O)NC2CC2)O1 ZINC001133773464 776786587 /nfs/dbraw/zinc/78/65/87/776786587.db2.gz HFFQIVQFUAZGRZ-VHSXEESVSA-N 0 3 298.343 -1.996 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCCNC2=O)CCNC1=O ZINC001133763073 776786907 /nfs/dbraw/zinc/78/69/07/776786907.db2.gz KDLSJKYSHVMMRO-NOZJJQNGSA-N 0 3 282.344 -1.503 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@]1(C)CCNC1=O ZINC001133766478 776787856 /nfs/dbraw/zinc/78/78/56/776787856.db2.gz FWHPZSARHSRDHC-PRHODGIISA-N 0 3 270.333 -1.647 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773831 776788014 /nfs/dbraw/zinc/78/80/14/776788014.db2.gz NBJYIZYHKQXUPJ-DTWKUNHWSA-N 0 3 286.332 -2.187 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@]2(C)CCNC2=O)C1=O ZINC001133766562 776788421 /nfs/dbraw/zinc/78/84/21/776788421.db2.gz HZSNCEUPMCVNEB-RNCFNFMXSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(N)=O ZINC001133781881 776788454 /nfs/dbraw/zinc/78/84/54/776788454.db2.gz VELZYJCGOIHXKO-XHNCKOQMSA-N 0 3 286.332 -2.011 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)O1 ZINC001133773851 776788503 /nfs/dbraw/zinc/78/85/03/776788503.db2.gz ODCOCMZOVZJVOX-HRDYMLBCSA-N 0 3 284.316 -2.386 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@]1(C)CCNC1=O ZINC001133766534 776788515 /nfs/dbraw/zinc/78/85/15/776788515.db2.gz HNTUYXLHXHTKKB-AWEZNQCLSA-N 0 3 298.387 -1.009 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NCCNCc1nnnn1C ZINC001133832016 776789552 /nfs/dbraw/zinc/78/95/52/776789552.db2.gz ZVFQUEJEHNFSNJ-SNVBAGLBSA-N 0 3 281.364 -1.100 20 0 CAADHN C[C@H]1CCCN1CC(=O)NCCNCc1nnn(C)n1 ZINC001133834352 776790111 /nfs/dbraw/zinc/79/01/11/776790111.db2.gz VHIZYLDOVRDMSW-JTQLQIEISA-N 0 3 281.364 -1.100 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NCCNCc1nnn(C)n1 ZINC001133834353 776790081 /nfs/dbraw/zinc/79/00/81/776790081.db2.gz VHIZYLDOVRDMSW-SNVBAGLBSA-N 0 3 281.364 -1.100 20 0 CAADHN Cn1cc(CC(=O)NCCNCC(N)=O)c(Cl)n1 ZINC001133792752 776790367 /nfs/dbraw/zinc/79/03/67/776790367.db2.gz FRIXKSGWLHUEJI-UHFFFAOYSA-N 0 3 273.724 -1.193 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNCc2nnnn2C)C1 ZINC001133853294 776790627 /nfs/dbraw/zinc/79/06/27/776790627.db2.gz IFZZVSNFQXXGRH-JTQLQIEISA-N 0 3 281.364 -1.242 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001133911357 776791742 /nfs/dbraw/zinc/79/17/42/776791742.db2.gz FZESUOYHDMRNLS-OUAUKWLOSA-N 0 3 296.371 -1.177 20 0 CAADHN C[C@@H](O)CN(CCO)CCN1C(=O)N[C@H](C)C1=O ZINC001170733246 776808492 /nfs/dbraw/zinc/80/84/92/776808492.db2.gz REEOIJDEJQFRRI-RKDXNWHRSA-N 0 3 259.306 -1.398 20 0 CAADHN Cc1ncc2n1CC[C@@H](C(=O)NCCNCC(N)=O)C2 ZINC001133869931 776792554 /nfs/dbraw/zinc/79/25/54/776792554.db2.gz NYTSBBWRLMPMDG-SNVBAGLBSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCCN[C@@H](C)C(N)=O ZINC001134352513 776811544 /nfs/dbraw/zinc/81/15/44/776811544.db2.gz LJKHMOKYUKRDEN-NKWVEPMBSA-N 0 3 280.350 -2.496 20 0 CAADHN C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCc1nc(=O)n(C)[n-]1 ZINC001133866519 776792863 /nfs/dbraw/zinc/79/28/63/776792863.db2.gz MJHORKQAHLGGEK-UWVGGRQHSA-N 0 3 296.375 -1.488 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001133908393 776792764 /nfs/dbraw/zinc/79/27/64/776792764.db2.gz PLGQIZWRALDCLJ-KXUCPTDWSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911149 776792781 /nfs/dbraw/zinc/79/27/81/776792781.db2.gz AOTGXALKRYPQBW-PRJMDXOYSA-N 0 3 256.306 -2.052 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911141 776792807 /nfs/dbraw/zinc/79/28/07/776792807.db2.gz AJAKTYKWZJABCY-ZJUUUORDSA-N 0 3 284.360 -1.414 20 0 CAADHN C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCc1nc(=O)n(C)[n-]1 ZINC001133866519 776792866 /nfs/dbraw/zinc/79/28/66/776792866.db2.gz MJHORKQAHLGGEK-UWVGGRQHSA-N 0 3 296.375 -1.488 20 0 CAADHN Cn1ncc(CCC(=O)NCCNCC(N)=O)n1 ZINC001133914089 776793668 /nfs/dbraw/zinc/79/36/68/776793668.db2.gz AEHRFMVHPKDONR-UHFFFAOYSA-N 0 3 254.294 -2.061 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001133921137 776793727 /nfs/dbraw/zinc/79/37/27/776793727.db2.gz CVUDYOXBMWWCDE-IVZWLZJFSA-N 0 3 282.344 -1.695 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911391 776793746 /nfs/dbraw/zinc/79/37/46/776793746.db2.gz HUTMDWMLBWXUCY-PRJMDXOYSA-N 0 3 299.331 -2.342 20 0 CAADHN Cn1ncc(CCC(=O)NCCN[C@H]2CCCNC2=O)n1 ZINC001133914222 776793794 /nfs/dbraw/zinc/79/37/94/776793794.db2.gz DNJFJUQSYUOORM-NSHDSACASA-N 0 3 294.359 -1.268 20 0 CAADHN Cn1ncc(CCC(=O)NCCNCC(=O)NC2CC2)n1 ZINC001133914554 776793863 /nfs/dbraw/zinc/79/38/63/776793863.db2.gz MSAHYCOQECUULM-UHFFFAOYSA-N 0 3 294.359 -1.268 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133921399 776793915 /nfs/dbraw/zinc/79/39/15/776793915.db2.gz GWBBMJZJDNUBCI-VHSXEESVSA-N 0 3 284.360 -1.447 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCc1cnn(C)n1 ZINC001133914385 776794039 /nfs/dbraw/zinc/79/40/39/776794039.db2.gz IRHWBFBHYCCCOL-UHFFFAOYSA-N 0 3 282.348 -1.410 20 0 CAADHN C[C@H](NCCNC(=O)CCc1cnn(C)n1)C(=O)N(C)C ZINC001133918440 776794206 /nfs/dbraw/zinc/79/42/06/776794206.db2.gz ULRGBSSKHNGOGJ-JTQLQIEISA-N 0 3 296.375 -1.070 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)NC1CC1 ZINC001133914138 776794334 /nfs/dbraw/zinc/79/43/34/776794334.db2.gz BMBHLGKOKUBXCB-QNSHHTMESA-N 0 3 282.344 -1.519 20 0 CAADHN CCN(C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001133912216 776794427 /nfs/dbraw/zinc/79/44/27/776794427.db2.gz XBUPKKNIJYYHRN-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001133912193 776794457 /nfs/dbraw/zinc/79/44/57/776794457.db2.gz WCAJXPMNODLRLT-VGMNWLOBSA-N 0 3 268.317 -1.956 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001133911403 776794619 /nfs/dbraw/zinc/79/46/19/776794619.db2.gz IKOZUCZZQMYWGL-KXUCPTDWSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)N(C)C ZINC001133911883 776794682 /nfs/dbraw/zinc/79/46/82/776794682.db2.gz OOPNFUQBNUXWEN-HLTSFMKQSA-N 0 3 270.333 -1.710 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133914973 776794723 /nfs/dbraw/zinc/79/47/23/776794723.db2.gz WDFSLABAUSXMJS-MXWKQRLJSA-N 0 3 298.387 -1.026 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CCc1cnn(C)n1 ZINC001133914314 776794741 /nfs/dbraw/zinc/79/47/41/776794741.db2.gz GWICDPHPZIOMNS-UHFFFAOYSA-N 0 3 296.375 -1.022 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001133921136 776794748 /nfs/dbraw/zinc/79/47/48/776794748.db2.gz CVUDYOXBMWWCDE-AEJSXWLSSA-N 0 3 282.344 -1.695 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCc1cnn(C)n1 ZINC001133914425 776794751 /nfs/dbraw/zinc/79/47/51/776794751.db2.gz JEFLYCONHWIQSX-UHFFFAOYSA-N 0 3 282.348 -1.458 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133950762 776795347 /nfs/dbraw/zinc/79/53/47/776795347.db2.gz IDAYYVPXUXZLLG-UHFFFAOYSA-N 0 3 295.343 -1.041 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccc(C(N)=O)[nH]1)C(N)=O ZINC001133955831 776795521 /nfs/dbraw/zinc/79/55/21/776795521.db2.gz AZEXKSKTTIUUOG-SSDOTTSWSA-N 0 3 281.316 -1.303 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCNCC(=O)N2CCC2)[nH]1 ZINC001133950747 776795674 /nfs/dbraw/zinc/79/56/74/776795674.db2.gz HLWWUZZUOXXMAO-UHFFFAOYSA-N 0 3 293.327 -1.335 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1=O ZINC001133940409 776795747 /nfs/dbraw/zinc/79/57/47/776795747.db2.gz XFSKBKOEYKMGAM-VWYCJHECSA-N 0 3 296.371 -1.176 20 0 CAADHN Cn1ncc(CCC(=O)NCCN[C@H]2CCN(C)C2=O)n1 ZINC001133950746 776795760 /nfs/dbraw/zinc/79/57/60/776795760.db2.gz HJJCHUAMKWZYQB-NSHDSACASA-N 0 3 294.359 -1.316 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001133937176 776795786 /nfs/dbraw/zinc/79/57/86/776795786.db2.gz YSXZXUMOVRNPIO-VWYCJHECSA-N 0 3 296.371 -1.128 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2ccc(C(N)=O)[nH]2)C1=O ZINC001133956534 776795797 /nfs/dbraw/zinc/79/57/97/776795797.db2.gz UOUPFYPRYUXTSE-JTQLQIEISA-N 0 3 293.327 -1.336 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133922513 776795895 /nfs/dbraw/zinc/79/58/95/776795895.db2.gz VMKNOYNYCZQODL-WDEREUQCSA-N 0 3 298.387 -1.059 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(N)=O ZINC001133935516 776795968 /nfs/dbraw/zinc/79/59/68/776795968.db2.gz DLJXYUGVOPREBV-HLTSFMKQSA-N 0 3 270.333 -1.532 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133951186 776796003 /nfs/dbraw/zinc/79/60/03/776796003.db2.gz SDMHQCZZRXPQPM-UHFFFAOYSA-N 0 3 267.289 -1.821 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(C(N)=O)[nH]1)C(=O)N(C)C ZINC001133956258 776796018 /nfs/dbraw/zinc/79/60/18/776796018.db2.gz NONRLNFHKUYWFG-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001133937174 776796088 /nfs/dbraw/zinc/79/60/88/776796088.db2.gz YSXZXUMOVRNPIO-OUAUKWLOSA-N 0 3 296.371 -1.128 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1=O ZINC001133940408 776796112 /nfs/dbraw/zinc/79/61/12/776796112.db2.gz XFSKBKOEYKMGAM-OUAUKWLOSA-N 0 3 296.371 -1.176 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133950522 776796169 /nfs/dbraw/zinc/79/61/69/776796169.db2.gz BEQMFGOIZPWWHV-UHFFFAOYSA-N 0 3 295.343 -1.089 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133951107 776796277 /nfs/dbraw/zinc/79/62/77/776796277.db2.gz PMWFUTYWHPXFDB-UHFFFAOYSA-N 0 3 296.287 -2.372 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001133931695 776796388 /nfs/dbraw/zinc/79/63/88/776796388.db2.gz KMYJPSZIMJCIQQ-UTLUCORTSA-N 0 3 282.344 -1.518 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133932430 776796547 /nfs/dbraw/zinc/79/65/47/776796547.db2.gz XLAKDIUNPBMCIH-SFYZADRCSA-N 0 3 256.306 -1.921 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@H]2CCNC2=O)[nH]1 ZINC001133952445 776796568 /nfs/dbraw/zinc/79/65/68/776796568.db2.gz BRGDHZOOLKSNQB-QMMMGPOBSA-N 0 3 279.300 -1.679 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001133932453 776796584 /nfs/dbraw/zinc/79/65/84/776796584.db2.gz YPZIBKSFWOWLKY-ZJUUUORDSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@H](NCCNC(=O)Cn1nnc2c1CCCC2)C(N)=O ZINC001133962675 776797152 /nfs/dbraw/zinc/79/71/52/776797152.db2.gz KYBDVLXUFRSWRW-VIFPVBQESA-N 0 3 294.359 -1.264 20 0 CAADHN CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943950 776797292 /nfs/dbraw/zinc/79/72/92/776797292.db2.gz WRTAHHSXHXFGIP-AXFHLTTASA-N 0 3 298.387 -1.026 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133942577 776797456 /nfs/dbraw/zinc/79/74/56/776797456.db2.gz BYOAEWVYXOQFAO-ZJUUUORDSA-N 0 3 284.360 -1.318 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001133943714 776797493 /nfs/dbraw/zinc/79/74/93/776797493.db2.gz SSVCSENBJVMFIL-GJMOJQLCSA-N 0 3 254.290 -2.298 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943579 776797691 /nfs/dbraw/zinc/79/76/91/776797691.db2.gz PEPMOIRFIQOASM-BBBLOLIVSA-N 0 3 284.360 -1.272 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001133942935 776797855 /nfs/dbraw/zinc/79/78/55/776797855.db2.gz KGFBVKZVOGVLKL-MNOVXSKESA-N 0 3 296.371 -1.174 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001133942579 776797901 /nfs/dbraw/zinc/79/79/01/776797901.db2.gz BZTHRSGIFTVAQU-MNOVXSKESA-N 0 3 296.371 -1.128 20 0 CAADHN CC[C@H](NCCNC(=O)CCc1cnn(C)n1)C(N)=O ZINC001133947020 776797925 /nfs/dbraw/zinc/79/79/25/776797925.db2.gz RXEUVJOMFPKBFI-JTQLQIEISA-N 0 3 282.348 -1.283 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943965 776798072 /nfs/dbraw/zinc/79/80/72/776798072.db2.gz XHTPNSKDNOKLKP-SFYZADRCSA-N 0 3 256.306 -2.050 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001133942860 776798085 /nfs/dbraw/zinc/79/80/85/776798085.db2.gz INOFZRLCBOWYIM-VGMNWLOBSA-N 0 3 268.317 -1.908 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943576 776798097 /nfs/dbraw/zinc/79/80/97/776798097.db2.gz PEPMOIRFIQOASM-AEJSXWLSSA-N 0 3 284.360 -1.272 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001133943315 776798167 /nfs/dbraw/zinc/79/81/67/776798167.db2.gz NSAYARXMIZYNCG-BDAKNGLRSA-N 0 3 268.317 -1.908 20 0 CAADHN C[C@H](NCCNC(=O)c1nccn2ccnc12)C(N)=O ZINC001134002336 776798895 /nfs/dbraw/zinc/79/88/95/776798895.db2.gz UJQXXEJWRJCSHD-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN COc1cc(=O)[nH]cc1C(=O)NCCNCC(N)=O ZINC001134016426 776799084 /nfs/dbraw/zinc/79/90/84/776799084.db2.gz IFUDOLMIKAUGKK-UHFFFAOYSA-N 0 3 268.273 -1.400 20 0 CAADHN Cc1ccn(CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O)n1 ZINC001133998254 776799350 /nfs/dbraw/zinc/79/93/50/776799350.db2.gz SWYSJDTZWDFRPY-VIFPVBQESA-N 0 3 296.331 -1.519 20 0 CAADHN O=C(Cc1nnc[n-]1)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001170716937 776799406 /nfs/dbraw/zinc/79/94/06/776799406.db2.gz AGVHGHWUGKJYRX-QMMMGPOBSA-N 0 3 294.315 -1.752 20 0 CAADHN Cc1nc(C)c(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)[nH]1 ZINC001133997928 776799456 /nfs/dbraw/zinc/79/94/56/776799456.db2.gz KLZIKAUOAITGNR-SSDOTTSWSA-N 0 3 296.331 -1.071 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cn1ccc(C)n1 ZINC001134006503 776799517 /nfs/dbraw/zinc/79/95/17/776799517.db2.gz YMJNWEXLPQMREN-UHFFFAOYSA-N 0 3 296.331 -1.647 20 0 CAADHN Cc1ccn(CC(=O)NCCN[C@H]2CCC(=O)NC2=O)n1 ZINC001134006047 776799566 /nfs/dbraw/zinc/79/95/66/776799566.db2.gz CMSKWWOJMVVWTR-JTQLQIEISA-N 0 3 293.327 -1.297 20 0 CAADHN CCNC(=O)C[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170717268 776799716 /nfs/dbraw/zinc/79/97/16/776799716.db2.gz MBHFOEDYPZXMIF-UHFFFAOYSA-N 0 3 268.321 -1.421 20 0 CAADHN Cc1ccn(CC(=O)NCCNCC(=O)N(C)C)n1 ZINC001133995917 776799987 /nfs/dbraw/zinc/79/99/87/776799987.db2.gz PAQLSAKIZXHWRI-UHFFFAOYSA-N 0 3 267.333 -1.014 20 0 CAADHN O=C(C[NH2+]CCCNC(=O)Cc1nnc[n-]1)NC1CC1 ZINC001170717136 776800621 /nfs/dbraw/zinc/80/06/21/776800621.db2.gz GQLVJKXUKPTJTQ-UHFFFAOYSA-N 0 3 280.332 -1.278 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1cnn[nH]1)c1nnnn1C ZINC001134016917 776800797 /nfs/dbraw/zinc/80/07/97/776800797.db2.gz XQVAIGQXJVFZLA-MRVPVSSYSA-N 0 3 293.335 -1.272 20 0 CAADHN NC(=O)NC(=O)C[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170717850 776801095 /nfs/dbraw/zinc/80/10/95/776801095.db2.gz VJASQYHSZKIWQP-UHFFFAOYSA-N 0 3 283.292 -2.362 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1OCC[C@H]1C ZINC001134033525 776801165 /nfs/dbraw/zinc/80/11/65/776801165.db2.gz VCMVWBIWUZHVOK-SCZZXKLOSA-N 0 3 286.332 -1.427 20 0 CAADHN CCCNC(=O)C[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170717828 776801431 /nfs/dbraw/zinc/80/14/31/776801431.db2.gz UKVBEPXEIXMHAU-UHFFFAOYSA-N 0 3 282.348 -1.031 20 0 CAADHN O=C(Cc1nnc[n-]1)NCCC[NH2+]CC(=O)N1CCC1 ZINC001170717407 776801994 /nfs/dbraw/zinc/80/19/94/776801994.db2.gz ORVPRDPMNIMUIW-UHFFFAOYSA-N 0 3 280.332 -1.325 20 0 CAADHN C[C@@H]1CCO[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001134031502 776802963 /nfs/dbraw/zinc/80/29/63/776802963.db2.gz ORPVPZNMJKAVFY-ZJUUUORDSA-N 0 3 293.389 -1.334 20 0 CAADHN O=C(Cc1nnc[n-]1)NCCC[NH2+][C@H]1CCNC1=O ZINC001170717898 776803409 /nfs/dbraw/zinc/80/34/09/776803409.db2.gz YDWLOVMFXFBBLS-QMMMGPOBSA-N 0 3 266.305 -1.668 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134102744 776803892 /nfs/dbraw/zinc/80/38/92/776803892.db2.gz ZAEMOKVIEWUXRR-HLTSFMKQSA-N 0 3 284.316 -1.545 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170725896 776803910 /nfs/dbraw/zinc/80/39/10/776803910.db2.gz GYRUNJRUYDDEBX-QMMMGPOBSA-N 0 3 268.321 -1.422 20 0 CAADHN C[C@@H]([NH2+]CCCNC(=O)Cc1nnc[n-]1)C(=O)N(C)C ZINC001170727155 776803988 /nfs/dbraw/zinc/80/39/88/776803988.db2.gz XEXDUYXULADLQO-SECBINFHSA-N 0 3 282.348 -1.080 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCc2nnnn2CC1)C(N)=O ZINC001134100121 776804402 /nfs/dbraw/zinc/80/44/02/776804402.db2.gz YQRYNVIQDCLDLV-DTWKUNHWSA-N 0 3 295.347 -1.795 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC1CC1)[C@H]1CCC(=O)N1 ZINC001134109671 776804613 /nfs/dbraw/zinc/80/46/13/776804613.db2.gz GIAYPAVTNYMCMC-GXSJLCMTSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H]1CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)O1 ZINC001134087859 776804684 /nfs/dbraw/zinc/80/46/84/776804684.db2.gz GRDDPUVWVUNELF-HTQZYQBOSA-N 0 3 272.305 -1.545 20 0 CAADHN CN1CC[C@@H]([NH2+]CCCNC(=O)Cc2nnc[n-]2)C1=O ZINC001170725319 776804925 /nfs/dbraw/zinc/80/49/25/776804925.db2.gz ATQNEBGAEZKAPV-SECBINFHSA-N 0 3 280.332 -1.326 20 0 CAADHN Cn1cncc1[C@@H]1C[C@H]1C(=O)NCCNCC(N)=O ZINC001134049833 776805275 /nfs/dbraw/zinc/80/52/75/776805275.db2.gz QRDWTDGEHTUOGM-RKDXNWHRSA-N 0 3 265.317 -1.285 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@@H](C)O1 ZINC001134088061 776805400 /nfs/dbraw/zinc/80/54/00/776805400.db2.gz PCELYEJOQBQTGO-RKDXNWHRSA-N 0 3 286.332 -1.285 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(C)c(C(N)=O)cn1 ZINC001134089843 776805442 /nfs/dbraw/zinc/80/54/42/776805442.db2.gz BDBKAGDZOYYKCF-UHFFFAOYSA-N 0 3 293.327 -1.446 20 0 CAADHN C[C@@H]1CCO[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001134028967 776805537 /nfs/dbraw/zinc/80/55/37/776805537.db2.gz PMUPFSBPHJQGBG-YWVKMMECSA-N 0 3 283.328 -1.078 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134111200 776805860 /nfs/dbraw/zinc/80/58/60/776805860.db2.gz RUDFZAQGNWDMBG-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)N(C)C)[C@@H]1CCC(=O)N1 ZINC001134110351 776806191 /nfs/dbraw/zinc/80/61/91/776806191.db2.gz KYFGGUSYSNRBQR-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN Cc1c[nH]c(CC(N)=O)c1C(=O)NCCN[C@@H](C)C(N)=O ZINC001134124242 776806211 /nfs/dbraw/zinc/80/62/11/776806211.db2.gz TZRMTNITFZQIAF-QMMMGPOBSA-N 0 3 295.343 -1.456 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC(N)=O)[C@@H]1CCC(=O)N1 ZINC001134111804 776806280 /nfs/dbraw/zinc/80/62/80/776806280.db2.gz ZBGVVDAMRHGATH-YUMQZZPRSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C(=O)NC(N)=O ZINC001134117582 776806485 /nfs/dbraw/zinc/80/64/85/776806485.db2.gz SMJAZQMBSVHWJE-KYXWUPHJSA-N 0 3 298.343 -1.157 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)N(C)C)[C@@H]1CCC(=O)N1 ZINC001134110353 776806695 /nfs/dbraw/zinc/80/66/95/776806695.db2.gz KYFGGUSYSNRBQR-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001134110085 776807168 /nfs/dbraw/zinc/80/71/68/776807168.db2.gz IXXDINAHHPHTFG-DTWKUNHWSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)[C@@H]1CCC(=O)N1 ZINC001134111803 776806729 /nfs/dbraw/zinc/80/67/29/776806729.db2.gz ZBGVVDAMRHGATH-SFYZADRCSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)N1CCC1)[C@@H]1CCC(=O)N1 ZINC001134110000 776806772 /nfs/dbraw/zinc/80/67/72/776806772.db2.gz HZFNPIYBOGYPEJ-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)N(C)C)[C@H]1CCC(=O)N1 ZINC001134110352 776806952 /nfs/dbraw/zinc/80/69/52/776806952.db2.gz KYFGGUSYSNRBQR-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)N1CCC1)[C@@H]1CCC(=O)N1 ZINC001134110001 776807007 /nfs/dbraw/zinc/80/70/07/776807007.db2.gz HZFNPIYBOGYPEJ-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001134168035 776807593 /nfs/dbraw/zinc/80/75/93/776807593.db2.gz KANKSFNUGRHAOG-VHSXEESVSA-N 0 3 270.333 -1.505 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001134174493 776807631 /nfs/dbraw/zinc/80/76/31/776807631.db2.gz BSVCBVBNMGGOEY-UWVGGRQHSA-N 0 3 298.343 -1.588 20 0 CAADHN Cc1c[nH]c(CC(N)=O)c1C(=O)NCCNCC(N)=O ZINC001134139257 776807871 /nfs/dbraw/zinc/80/78/71/776807871.db2.gz PPKIGVWBKWCCEU-UHFFFAOYSA-N 0 3 281.316 -1.844 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCNCC(=O)N1CCC1 ZINC001134167880 776807929 /nfs/dbraw/zinc/80/79/29/776807929.db2.gz HWHZDYZAIOJWTQ-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001134168037 776807977 /nfs/dbraw/zinc/80/79/77/776807977.db2.gz KANKSFNUGRHAOG-ZJUUUORDSA-N 0 3 270.333 -1.505 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCNCC(=O)NC(N)=O ZINC001134167886 776808061 /nfs/dbraw/zinc/80/80/61/776808061.db2.gz IAQZHNDYLQUTEO-MRVPVSSYSA-N 0 3 287.320 -2.198 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCNCC(=O)NC1CC1 ZINC001134168450 776808185 /nfs/dbraw/zinc/80/81/85/776808185.db2.gz PVKLYXFCHBOYCM-NSHDSACASA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCNCC(=O)NC(N)=O ZINC001134167887 776808402 /nfs/dbraw/zinc/80/84/02/776808402.db2.gz IAQZHNDYLQUTEO-QMMMGPOBSA-N 0 3 287.320 -2.198 20 0 CAADHN C[C@H](O)CN(CCO)CCN1C(=O)N[C@H](C)C1=O ZINC001170733244 776808553 /nfs/dbraw/zinc/80/85/53/776808553.db2.gz REEOIJDEJQFRRI-DTWKUNHWSA-N 0 3 259.306 -1.398 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)c1cccnc1)C(N)=O ZINC001134151246 776808733 /nfs/dbraw/zinc/80/87/33/776808733.db2.gz WTSWGJRXPMXZSO-SECBINFHSA-N 0 3 293.327 -1.609 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001134167818 776809016 /nfs/dbraw/zinc/80/90/16/776809016.db2.gz GIEINJJCSROQEZ-GHMZBOCLSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001134168032 776809130 /nfs/dbraw/zinc/80/91/30/776809130.db2.gz KANKSFNUGRHAOG-UWVGGRQHSA-N 0 3 270.333 -1.505 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@@H](CC)C(N)=O ZINC001134175340 776809622 /nfs/dbraw/zinc/80/96/22/776809622.db2.gz PXMNXSGRGRYRSF-VHSXEESVSA-N 0 3 272.349 -1.129 20 0 CAADHN O=C(CNCCNC(=O)c1ccnnc1)N1CCOCC1 ZINC001134283677 776809979 /nfs/dbraw/zinc/80/99/79/776809979.db2.gz KPWLTBQOUNPRDQ-UHFFFAOYSA-N 0 3 293.327 -1.345 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H](CC)NC(C)=O)C(N)=O ZINC001134175338 776810528 /nfs/dbraw/zinc/81/05/28/776810528.db2.gz PXMNXSGRGRYRSF-NXEZZACHSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCN[C@H](C)C(=O)NC ZINC001134174866 776810576 /nfs/dbraw/zinc/81/05/76/776810576.db2.gz HLPWAADRGYUOMW-SCZZXKLOSA-N 0 3 272.349 -1.259 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1ccnnc1 ZINC001134283414 776810708 /nfs/dbraw/zinc/81/07/08/776810708.db2.gz FHXKJZARCFRAKX-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H](CC)NC(C)=O)C(N)=O ZINC001134175339 776810924 /nfs/dbraw/zinc/81/09/24/776810924.db2.gz PXMNXSGRGRYRSF-UWVGGRQHSA-N 0 3 272.349 -1.129 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134351729 776811292 /nfs/dbraw/zinc/81/12/92/776811292.db2.gz DIDHJVXVYGNGIO-SFYZADRCSA-N 0 3 294.377 -2.236 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)NS(C)(=O)=O)C(N)=O ZINC001134352512 776811378 /nfs/dbraw/zinc/81/13/78/776811378.db2.gz LJKHMOKYUKRDEN-BQBZGAKWSA-N 0 3 280.350 -2.496 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NCCNCCF ZINC001134353689 776811848 /nfs/dbraw/zinc/81/18/48/776811848.db2.gz WKWRDHJAAPPRPF-ZETCQYMHSA-N 0 3 255.315 -1.401 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134354040 776811899 /nfs/dbraw/zinc/81/18/99/776811899.db2.gz ZIBZAWKXWYECPN-SSDOTTSWSA-N 0 3 280.350 -2.624 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134354041 776812262 /nfs/dbraw/zinc/81/22/62/776812262.db2.gz ZIBZAWKXWYECPN-ZETCQYMHSA-N 0 3 280.350 -2.624 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NCCNCC(N)=O ZINC001134353932 776812622 /nfs/dbraw/zinc/81/26/22/776812622.db2.gz YHWPXADTKGFVOK-LURJTMIESA-N 0 3 266.323 -2.885 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccnnc1)C(=O)NC(N)=O ZINC001134292278 776812536 /nfs/dbraw/zinc/81/25/36/776812536.db2.gz WTUHZHBMGDSKOR-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1c[nH]cn1 ZINC001134397502 776813357 /nfs/dbraw/zinc/81/33/57/776813357.db2.gz PDBNPSJPAYJHNO-UHFFFAOYSA-N 0 3 268.277 -2.147 20 0 CAADHN Cn1nnnc1CNCCNC(=O)Cc1cnc[nH]1 ZINC001134406985 776813574 /nfs/dbraw/zinc/81/35/74/776813574.db2.gz LKMIKHJJMJUWOD-UHFFFAOYSA-N 0 3 264.293 -1.618 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1c[nH]cn1)C(=O)NC(N)=O ZINC001134401028 776813608 /nfs/dbraw/zinc/81/36/08/776813608.db2.gz UOVPPWHDERWTOO-SSDOTTSWSA-N 0 3 282.304 -1.759 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001134354062 776813784 /nfs/dbraw/zinc/81/37/84/776813784.db2.gz ZUYSEWZYHGLASW-SFYZADRCSA-N 0 3 292.361 -2.482 20 0 CAADHN Cc1ccc(C(=O)NCCNCC(=O)NC(N)=O)c(=O)[nH]1 ZINC001134365513 776814194 /nfs/dbraw/zinc/81/41/94/776814194.db2.gz QSFHQXZXIDHOMZ-UHFFFAOYSA-N 0 3 295.299 -1.390 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1c[nH]cn1 ZINC001134397684 776814294 /nfs/dbraw/zinc/81/42/94/776814294.db2.gz SRPFVUFYHVFLFO-MRVPVSSYSA-N 0 3 296.331 -1.498 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cc1c[nH]cn1 ZINC001134397166 776814461 /nfs/dbraw/zinc/81/44/61/776814461.db2.gz KNPLFUFYMWBAAN-QMMMGPOBSA-N 0 3 253.306 -1.208 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1c2ccccc2[nH]c1=O ZINC001134362738 776814664 /nfs/dbraw/zinc/81/46/64/776814664.db2.gz ITQRYNKFNBPFJI-UHFFFAOYSA-N 0 3 291.311 -1.067 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(N)=O ZINC001134455867 776815009 /nfs/dbraw/zinc/81/50/09/776815009.db2.gz KTWAJBBJWXJIOI-RITPCOANSA-N 0 3 271.277 -2.836 20 0 CAADHN O=C(Cc1c[nH]cn1)NCCNCC(=O)N1CCOCC1 ZINC001134407035 776815026 /nfs/dbraw/zinc/81/50/26/776815026.db2.gz NLVZWVBLPNLEDK-UHFFFAOYSA-N 0 3 295.343 -1.483 20 0 CAADHN Cn1ncnc1CNCCNC(=O)Cc1cnc[nH]1 ZINC001134407126 776815242 /nfs/dbraw/zinc/81/52/42/776815242.db2.gz SBYRJGBTACPZRD-UHFFFAOYSA-N 0 3 263.305 -1.013 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)NC1CC1 ZINC001134461413 776815449 /nfs/dbraw/zinc/81/54/49/776815449.db2.gz URJGBZDMJPVOAE-QMMMGPOBSA-N 0 3 297.315 -2.431 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(N)=O ZINC001134455884 776815474 /nfs/dbraw/zinc/81/54/74/776815474.db2.gz KTWAJBBJWXJIOI-WDSKDSINSA-N 0 3 271.277 -2.836 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1=O ZINC001134455809 776815777 /nfs/dbraw/zinc/81/57/77/776815777.db2.gz KNKKPZXMELBSJV-SFYZADRCSA-N 0 3 297.315 -2.479 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cc1c[nH]cn1 ZINC001134396679 776816814 /nfs/dbraw/zinc/81/68/14/776816814.db2.gz CTJMOVABUXPSRM-UHFFFAOYSA-N 0 3 289.361 -1.793 20 0 CAADHN O=C(Cc1c[nH]cn1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001134394082 776816904 /nfs/dbraw/zinc/81/69/04/776816904.db2.gz XIQIDLWDYVMHTO-SECBINFHSA-N 0 3 279.300 -1.537 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455983 776817974 /nfs/dbraw/zinc/81/79/74/776817974.db2.gz MXWBIJYOQNCXCI-BQBZGAKWSA-N 0 3 285.304 -2.575 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)NCCNCCF ZINC001134487095 776818729 /nfs/dbraw/zinc/81/87/29/776818729.db2.gz IYPSWOUHOKHERH-UHFFFAOYSA-N 0 3 270.330 -1.942 20 0 CAADHN CCCN1C[C@H](C(=O)NCCNCC(=O)NC)CC1=O ZINC001134502988 776819490 /nfs/dbraw/zinc/81/94/90/776819490.db2.gz IZSJUUGHHATJEO-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN Cc1ccnn1CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001134513215 776819626 /nfs/dbraw/zinc/81/96/26/776819626.db2.gz GXCISCZCUYKLGQ-JTQLQIEISA-N 0 3 293.327 -1.297 20 0 CAADHN Cc1ccn(CC(=O)NCCN[C@H](C)C(N)=O)c(=O)c1 ZINC001134538061 776819837 /nfs/dbraw/zinc/81/98/37/776819837.db2.gz MDKWSXWLNHRJRC-SNVBAGLBSA-N 0 3 280.328 -1.264 20 0 CAADHN CCCN1C[C@H](C(=O)NCCN[C@@H]2CCNC2=O)CC1=O ZINC001134503459 776819872 /nfs/dbraw/zinc/81/98/72/776819872.db2.gz NFXDMTPJEFMUFV-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN Cc1ccnn1CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001134523395 776819994 /nfs/dbraw/zinc/81/99/94/776819994.db2.gz GOCONMDWOVFKEI-VIFPVBQESA-N 0 3 296.331 -1.519 20 0 CAADHN Cc1ccnn1CC(=O)NCCNCC(=O)N(C)C ZINC001134513185 776820113 /nfs/dbraw/zinc/82/01/13/776820113.db2.gz FOALGIZRIAFRGS-UHFFFAOYSA-N 0 3 267.333 -1.014 20 0 CAADHN CCCN1C[C@H](C(=O)NCCN[C@H]2CCNC2=O)CC1=O ZINC001134503463 776820185 /nfs/dbraw/zinc/82/01/85/776820185.db2.gz NFXDMTPJEFMUFV-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCCN1C[C@H](C(=O)NCCN[C@H](C)C(N)=O)CC1=O ZINC001134502653 776820244 /nfs/dbraw/zinc/82/02/44/776820244.db2.gz DSEWEYLSJSRMAC-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCCN1C[C@H](C(=O)NCCN[C@@H](C)C(N)=O)CC1=O ZINC001134502656 776820592 /nfs/dbraw/zinc/82/05/92/776820592.db2.gz DSEWEYLSJSRMAC-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN O=C(COC[C@@H]1CCOC1)NCCN[C@@H]1CCNC1=O ZINC001134640221 776821040 /nfs/dbraw/zinc/82/10/40/776821040.db2.gz CRUOMFBQDDYSSW-GHMZBOCLSA-N 0 3 285.344 -1.366 20 0 CAADHN COc1c(C(=O)NCCNCC(N)=O)c(C)nn1C ZINC001134596658 776821212 /nfs/dbraw/zinc/82/12/12/776821212.db2.gz OINXXRGHHCXCFR-UHFFFAOYSA-N 0 3 269.305 -1.458 20 0 CAADHN COc1c(C(=O)NCCN[C@H](C)C(N)=O)c(C)nn1C ZINC001134600292 776821294 /nfs/dbraw/zinc/82/12/94/776821294.db2.gz JBHDUKKTSYOPDY-MRVPVSSYSA-N 0 3 283.332 -1.070 20 0 CAADHN O=C(COC1CCOCC1)NCCN[C@H]1CCNC1=O ZINC001134633483 776821523 /nfs/dbraw/zinc/82/15/23/776821523.db2.gz SPQQDVUYGGJZGC-NSHDSACASA-N 0 3 285.344 -1.224 20 0 CAADHN Cc1ccn(CC(=O)NCCNCC(N)=O)c(=O)c1 ZINC001134541040 776821681 /nfs/dbraw/zinc/82/16/81/776821681.db2.gz ZIYGETXPIRXAIO-UHFFFAOYSA-N 0 3 266.301 -1.652 20 0 CAADHN Cc1ccn(CC(=O)NCCN[C@@H]2CCNC2=O)c(=O)c1 ZINC001134539707 776821735 /nfs/dbraw/zinc/82/17/35/776821735.db2.gz DMKFMPOTHHGUFC-LLVKDONJSA-N 0 3 292.339 -1.249 20 0 CAADHN CCN(CC)S(=O)(=O)CC(=O)NCCNCC(N)=O ZINC001134608747 776821921 /nfs/dbraw/zinc/82/19/21/776821921.db2.gz AJUPPXIUOBNIOG-UHFFFAOYSA-N 0 3 294.377 -2.151 20 0 CAADHN O=C(COC[C@H]1CCOC1)NCCN[C@H]1CCNC1=O ZINC001134640223 776822258 /nfs/dbraw/zinc/82/22/58/776822258.db2.gz CRUOMFBQDDYSSW-QWRGUYRKSA-N 0 3 285.344 -1.366 20 0 CAADHN CCNC(=O)CNCCNC(=O)COC[C@@H]1CCOC1 ZINC001134640124 776822336 /nfs/dbraw/zinc/82/23/36/776822336.db2.gz ABFISEPFKIFPNX-LLVKDONJSA-N 0 3 287.360 -1.119 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC001134610443 776822425 /nfs/dbraw/zinc/82/24/25/776822425.db2.gz VWPXUDSOLSPLLA-NXEZZACHSA-N 0 3 284.360 -1.270 20 0 CAADHN CN(C)c1cc(C(=O)NCCNCC(N)=O)ccn1 ZINC001134600592 776822452 /nfs/dbraw/zinc/82/24/52/776822452.db2.gz YAVVHDTWRWMTQW-UHFFFAOYSA-N 0 3 265.317 -1.048 20 0 CAADHN CNC(=O)CNCCNC(=O)COC[C@H]1CCOC1 ZINC001134641121 776823043 /nfs/dbraw/zinc/82/30/43/776823043.db2.gz RCJADOPIVYOHRQ-JTQLQIEISA-N 0 3 273.333 -1.509 20 0 CAADHN C[C@@H](NCCNC(=O)COC[C@H]1CCOC1)C(N)=O ZINC001134640955 776823066 /nfs/dbraw/zinc/82/30/66/776823066.db2.gz PBAKLNNPFPQETP-ZJUUUORDSA-N 0 3 273.333 -1.381 20 0 CAADHN COCCO[C@@H](C)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001134674126 776823130 /nfs/dbraw/zinc/82/31/30/776823130.db2.gz VTIFTVKLJQPDRD-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CC[C@@H](NCCNC(=O)C(C)(C)S(C)(=O)=O)C(N)=O ZINC001134669156 776823189 /nfs/dbraw/zinc/82/31/89/776823189.db2.gz AKCOOXKBJXEBQA-MRVPVSSYSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](NCCNC(=O)COC[C@@H]1CCOC1)C(N)=O ZINC001134640952 776823380 /nfs/dbraw/zinc/82/33/80/776823380.db2.gz PBAKLNNPFPQETP-NXEZZACHSA-N 0 3 273.333 -1.381 20 0 CAADHN O=C(COC[C@H]1CCOC1)NCCNCC(=O)N1CCC1 ZINC001134641457 776823637 /nfs/dbraw/zinc/82/36/37/776823637.db2.gz VSJVFSZZWVTHTM-LBPRGKRZSA-N 0 3 299.371 -1.022 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1ncn2nccc2c1=O ZINC001134672990 776823901 /nfs/dbraw/zinc/82/39/01/776823901.db2.gz HHHDZYAETMPLSF-UHFFFAOYSA-N 0 3 293.287 -2.918 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)COC[C@H]1CCOC1 ZINC001134655259 776824393 /nfs/dbraw/zinc/82/43/93/776824393.db2.gz AHXNJIQPZIYENP-MNOVXSKESA-N 0 3 287.360 -1.120 20 0 CAADHN O=C(Cn1ncn2nccc2c1=O)NCCNCCF ZINC001134673359 776824150 /nfs/dbraw/zinc/82/41/50/776824150.db2.gz MQZPOFDHOXSANO-UHFFFAOYSA-N 0 3 282.279 -1.434 20 0 CAADHN COCCO[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001134659627 776824804 /nfs/dbraw/zinc/82/48/04/776824804.db2.gz GNGYCIBFMAYBLI-QMMMGPOBSA-N 0 3 290.320 -2.061 20 0 CAADHN CN1C[C@H](C(=O)NCCCNCc2cnnn2C)CC1=O ZINC001159247873 776824901 /nfs/dbraw/zinc/82/49/01/776824901.db2.gz BPAPFMRRTKAQRL-SNVBAGLBSA-N 0 3 294.359 -1.111 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)c(=O)n(C)c1=O)C(N)=O ZINC001134665941 776825054 /nfs/dbraw/zinc/82/50/54/776825054.db2.gz WAGNTUSLJZGAPT-ZETCQYMHSA-N 0 3 297.315 -2.723 20 0 CAADHN Cn1cc(C(=O)NCCNCCF)c(=O)n(C)c1=O ZINC001134664856 776825102 /nfs/dbraw/zinc/82/51/02/776825102.db2.gz BEOFUDDCWQJGMU-UHFFFAOYSA-N 0 3 272.280 -1.627 20 0 CAADHN COCCO[C@@H](C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001134659811 776825253 /nfs/dbraw/zinc/82/52/53/776825253.db2.gz LAFIQPFMKYPXKC-IUCAKERBSA-N 0 3 261.322 -1.383 20 0 CAADHN CCNC(=O)NC(C)(C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001134700870 776825522 /nfs/dbraw/zinc/82/55/22/776825522.db2.gz SKZIPJQNPCCEAZ-QMMMGPOBSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)c(=O)n(C)c1=O)C(N)=O ZINC001134665937 776825715 /nfs/dbraw/zinc/82/57/15/776825715.db2.gz WAGNTUSLJZGAPT-SSDOTTSWSA-N 0 3 297.315 -2.723 20 0 CAADHN COCCO[C@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001134659626 776825776 /nfs/dbraw/zinc/82/57/76/776825776.db2.gz GNGYCIBFMAYBLI-MRVPVSSYSA-N 0 3 290.320 -2.061 20 0 CAADHN CCNC(=O)NC(C)(C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001134700529 776826241 /nfs/dbraw/zinc/82/62/41/776826241.db2.gz CIRYALCQKSXEMV-SECBINFHSA-N 0 3 299.375 -1.322 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)OCCOC ZINC001134663469 776826406 /nfs/dbraw/zinc/82/64/06/776826406.db2.gz LBLAPPBKKPEYSA-VHSXEESVSA-N 0 3 275.349 -1.122 20 0 CAADHN CC[C@@H](F)CNCCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001134829648 776828372 /nfs/dbraw/zinc/82/83/72/776828372.db2.gz NCAKPMZHGAIUDB-ZJUUUORDSA-N 0 3 290.339 -1.180 20 0 CAADHN COc1cncc(C(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001134829356 776828857 /nfs/dbraw/zinc/82/88/57/776828857.db2.gz GSHDTNARBMJVAU-ZETCQYMHSA-N 0 3 267.289 -1.322 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cncc(OC)n1 ZINC001134833644 776829268 /nfs/dbraw/zinc/82/92/68/776829268.db2.gz ZWSLRDLRMSRLOQ-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN COc1cncc(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001134837165 776829337 /nfs/dbraw/zinc/82/93/37/776829337.db2.gz UDUJPGFZJFIUAE-QMMMGPOBSA-N 0 3 279.300 -1.307 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCN[C@@H](C)C(N)=O)C(N)=O ZINC001134829428 776829487 /nfs/dbraw/zinc/82/94/87/776829487.db2.gz JPAHLEUTIRKSRD-XPUUQOCRSA-N 0 3 287.320 -3.054 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001134890283 776830181 /nfs/dbraw/zinc/83/01/81/776830181.db2.gz FOGXNBOBKJXTGJ-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN COCc1cc(C(=O)NCCNCC(=O)NC(N)=O)no1 ZINC001134911058 776830445 /nfs/dbraw/zinc/83/04/45/776830445.db2.gz GZJHMGRCXFWDNG-UHFFFAOYSA-N 0 3 299.287 -1.665 20 0 CAADHN CN(C)C(=O)CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001134932917 776830747 /nfs/dbraw/zinc/83/07/47/776830747.db2.gz KHMYJZQKRPCUBM-MRVPVSSYSA-N 0 3 284.316 -2.024 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1cscn1 ZINC001134860068 776830768 /nfs/dbraw/zinc/83/07/68/776830768.db2.gz MPIUUHYIIZVNRK-UHFFFAOYSA-N 0 3 299.356 -1.153 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(COC)on1 ZINC001134905595 776831167 /nfs/dbraw/zinc/83/11/67/776831167.db2.gz VPGWHCNRFULYNF-UHFFFAOYSA-N 0 3 270.289 -1.114 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CC(=O)N(C)C ZINC001134932541 776831216 /nfs/dbraw/zinc/83/12/16/776831216.db2.gz CMRGYYKKRCYPQM-UHFFFAOYSA-N 0 3 258.322 -1.741 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001134894317 776831510 /nfs/dbraw/zinc/83/15/10/776831510.db2.gz SKQGVTNZKBVGSU-JTQLQIEISA-N 0 3 282.344 -1.422 20 0 CAADHN CN(C)C(=O)CC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001134936407 776832332 /nfs/dbraw/zinc/83/23/32/776832332.db2.gz QGLWICGFUSMCQB-VIFPVBQESA-N 0 3 270.333 -1.599 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cnc2cccnn21 ZINC001134944776 776832354 /nfs/dbraw/zinc/83/23/54/776832354.db2.gz DLERSNWDIXTCLI-SECBINFHSA-N 0 3 288.311 -1.063 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)CC(=O)N(C)C ZINC001134936510 776832399 /nfs/dbraw/zinc/83/23/99/776832399.db2.gz VJIBQIWEGHTVHI-UHFFFAOYSA-N 0 3 286.376 -1.057 20 0 CAADHN CN(C)C(=O)CC(=O)NCCNCC(=O)N1CCCC1 ZINC001134936462 776832449 /nfs/dbraw/zinc/83/24/49/776832449.db2.gz SPMOCBCBRCESGG-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN C[C@@H](NCCNC(=O)CC(=O)N(C)C)C(=O)NC(N)=O ZINC001134936520 776832642 /nfs/dbraw/zinc/83/26/42/776832642.db2.gz VWNCXZSQOONAFE-SSDOTTSWSA-N 0 3 287.320 -2.246 20 0 CAADHN CN(C)C(=O)CC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001134936406 776832759 /nfs/dbraw/zinc/83/27/59/776832759.db2.gz QGLWICGFUSMCQB-SECBINFHSA-N 0 3 270.333 -1.599 20 0 CAADHN C[C@H](NCCNC(=O)c1cnc2cccnn21)C(N)=O ZINC001134939420 776832796 /nfs/dbraw/zinc/83/27/96/776832796.db2.gz WIAMXTPDKXKHNY-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CN(C)C(=O)CC(=O)NCCNCC(=O)NCC1CC1 ZINC001134939468 776833278 /nfs/dbraw/zinc/83/32/78/776833278.db2.gz YAFHJACSZYPIQD-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CN(C)C(=O)CC(=O)NCCN[C@H]1CCNC1=O ZINC001134941899 776833291 /nfs/dbraw/zinc/83/32/91/776833291.db2.gz UJAMTYDTWOGAAW-QMMMGPOBSA-N 0 3 256.306 -1.941 20 0 CAADHN CN(C)C(=O)CC(=O)NCCNCCNS(C)(=O)=O ZINC001134936383 776833465 /nfs/dbraw/zinc/83/34/65/776833465.db2.gz PGQZFYJMCMKJML-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1cn[nH]c1)C(=O)NC(N)=O ZINC001135058583 776834205 /nfs/dbraw/zinc/83/42/05/776834205.db2.gz XCNNFOOYUOIXAX-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN O=C(CCc1cn[nH]c1)NCCN[C@H]1CCC(=O)NC1=O ZINC001135049260 776834323 /nfs/dbraw/zinc/83/43/23/776834323.db2.gz AHMGXNGBSUMHGS-JTQLQIEISA-N 0 3 293.327 -1.147 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1cn[nH]c1)C(N)=O ZINC001135050137 776834392 /nfs/dbraw/zinc/83/43/92/776834392.db2.gz UALUKSOMLXDAAW-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1nnnc1C(C)C)C(N)=O ZINC001135001680 776834820 /nfs/dbraw/zinc/83/48/20/776834820.db2.gz GUCOPAJQMRHANW-VIFPVBQESA-N 0 3 297.363 -1.234 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1nnnc1C(C)C ZINC001135001754 776834910 /nfs/dbraw/zinc/83/49/10/776834910.db2.gz KCLMRMSIFGZWBR-VIFPVBQESA-N 0 3 297.363 -1.363 20 0 CAADHN CC(C)(NS(C)(=O)=O)C(=O)NCCNCCF ZINC001134963651 776835010 /nfs/dbraw/zinc/83/50/10/776835010.db2.gz TUGUOJABTHRHTQ-UHFFFAOYSA-N 0 3 269.342 -1.011 20 0 CAADHN C[C@@H](NCCNC(=O)C(C)(C)NS(C)(=O)=O)C(N)=O ZINC001134963515 776835218 /nfs/dbraw/zinc/83/52/18/776835218.db2.gz MTPVMDHWXGMGHN-SSDOTTSWSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCN(C)S1(=O)=O)C(N)=O ZINC001135130093 776835676 /nfs/dbraw/zinc/83/56/76/776835676.db2.gz WKCHKIBPRQEEPG-JGVFFNPUSA-N 0 3 292.361 -2.400 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001135084242 776835729 /nfs/dbraw/zinc/83/57/29/776835729.db2.gz IQYARKJGOGUWHU-DTWKUNHWSA-N 0 3 268.317 -1.067 20 0 CAADHN Cc1c[nH]c(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001135055161 776835803 /nfs/dbraw/zinc/83/58/03/776835803.db2.gz NXPLYMMOJNRXJG-MRVPVSSYSA-N 0 3 251.290 -1.074 20 0 CAADHN Cc1c[nH]c(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001135054464 776836007 /nfs/dbraw/zinc/83/60/07/776836007.db2.gz FTTUOZPWKQKKHG-UHFFFAOYSA-N 0 3 268.277 -1.768 20 0 CAADHN O=C(CCc1cn[nH]c1)NCCN[C@@H]1CCNC1=O ZINC001135050260 776836870 /nfs/dbraw/zinc/83/68/70/776836870.db2.gz ZJJSQLMQVQSZRQ-SNVBAGLBSA-N 0 3 265.317 -1.063 20 0 CAADHN Cc1c[nH]c(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)n1 ZINC001135064755 776836946 /nfs/dbraw/zinc/83/69/46/776836946.db2.gz LGIHVPRYHFWHTR-SSDOTTSWSA-N 0 3 282.304 -1.379 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCN(C)S1(=O)=O)C(N)=O ZINC001135130095 776837046 /nfs/dbraw/zinc/83/70/46/776837046.db2.gz WKCHKIBPRQEEPG-SFYZADRCSA-N 0 3 292.361 -2.400 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1nc(C)c[nH]1 ZINC001135060959 776837076 /nfs/dbraw/zinc/83/70/76/776837076.db2.gz MXSDMJDOSYPBQD-MRVPVSSYSA-N 0 3 296.331 -1.118 20 0 CAADHN CN1CC[C@H](C(=O)NCCNCCF)S1(=O)=O ZINC001135129335 776837155 /nfs/dbraw/zinc/83/71/55/776837155.db2.gz GGDHRPYCSJPJLM-MRVPVSSYSA-N 0 3 267.326 -1.304 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001135126304 776837254 /nfs/dbraw/zinc/83/72/54/776837254.db2.gz QQKNFCDCEHBZHF-QMMMGPOBSA-N 0 3 292.361 -2.528 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)NCCNCC(=O)N(C)C ZINC001135173110 776838069 /nfs/dbraw/zinc/83/80/69/776838069.db2.gz XWYNJKNSNVXSDQ-UHFFFAOYSA-N 0 3 286.376 -1.057 20 0 CAADHN CNC(=O)CNCCNC(=O)C(C)(C)CNC(C)=O ZINC001135169184 776838275 /nfs/dbraw/zinc/83/82/75/776838275.db2.gz JMDAXYIKYCTFEE-UHFFFAOYSA-N 0 3 272.349 -1.400 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)NCCN[C@H](C)C(N)=O ZINC001135172888 776838555 /nfs/dbraw/zinc/83/85/55/776838555.db2.gz NTYTWILDTPPTPN-MRVPVSSYSA-N 0 3 272.349 -1.272 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cncn1C ZINC001283770515 777916494 /nfs/dbraw/zinc/91/64/94/777916494.db2.gz KYBOQHMHFHFSRR-VIFPVBQESA-N 0 3 256.306 -1.253 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001283771006 777916365 /nfs/dbraw/zinc/91/63/65/777916365.db2.gz MTPCXIFZPSWESP-VHSXEESVSA-N 0 3 273.333 -1.774 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@@H]1CCC(=O)NC1 ZINC001283771001 777916651 /nfs/dbraw/zinc/91/66/51/777916651.db2.gz MTPCXIFZPSWESP-NXEZZACHSA-N 0 3 273.333 -1.774 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)c1cn(C)nn1 ZINC001284402528 777940290 /nfs/dbraw/zinc/94/02/90/777940290.db2.gz QPMKAMNYUAEBRX-MRVPVSSYSA-N 0 3 259.285 -1.193 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1nnn(C)n1 ZINC001283791667 777917695 /nfs/dbraw/zinc/91/76/95/777917695.db2.gz HBHANABKYITAKK-SSDOTTSWSA-N 0 3 258.282 -2.463 20 0 CAADHN O=C(NC[C@@H](CO)NCCNC(=O)C1CC1)c1cnon1 ZINC001283814362 777920719 /nfs/dbraw/zinc/92/07/19/777920719.db2.gz GDNHZEZQNUNRPG-VIFPVBQESA-N 0 3 297.315 -1.724 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1ccn(C)n1 ZINC001283827504 777922251 /nfs/dbraw/zinc/92/22/51/777922251.db2.gz LXAMTEOJDVQNGB-SECBINFHSA-N 0 3 256.306 -1.253 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1ccn(C)n1 ZINC001283827505 777922523 /nfs/dbraw/zinc/92/25/23/777922523.db2.gz LXAMTEOJDVQNGB-VIFPVBQESA-N 0 3 256.306 -1.253 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H](CO)NCC=C(C)C ZINC001283828065 777922868 /nfs/dbraw/zinc/92/28/68/777922868.db2.gz YIPCESCVXOSANP-SNVBAGLBSA-N 0 3 293.389 -1.432 20 0 CAADHN CN(C)C1(C(=O)N[C@@H]2CCN(C(=O)C(N)=O)C2)CCC1 ZINC001283867951 777923874 /nfs/dbraw/zinc/92/38/74/777923874.db2.gz JPPKJWWCEWLFCQ-SECBINFHSA-N 0 3 282.344 -1.327 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001283896938 777924778 /nfs/dbraw/zinc/92/47/78/777924778.db2.gz BGSIZSGLJFHJDA-RQJHMYQMSA-N 0 3 285.304 -2.494 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001283896937 777925177 /nfs/dbraw/zinc/92/51/77/777925177.db2.gz BGSIZSGLJFHJDA-RNFRBKRXSA-N 0 3 285.304 -2.494 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)C(N)=O)C1)N(C)C ZINC001284101728 777928485 /nfs/dbraw/zinc/92/84/85/777928485.db2.gz QZCPDUKHZVZATC-AEJSXWLSSA-N 0 3 284.360 -1.179 20 0 CAADHN CC[C@@H](C(=O)N[C@H](C)CNC(=O)CC(N)=O)N(C)C ZINC001284213805 777931054 /nfs/dbraw/zinc/93/10/54/777931054.db2.gz PBBOQPGDVXBFPD-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)CC(N)=O ZINC001284296010 777933531 /nfs/dbraw/zinc/93/35/31/777933531.db2.gz WQSUEFDJBNQGQM-ZETCQYMHSA-N 0 3 281.316 -1.243 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)CC(N)=O ZINC001284397921 777936417 /nfs/dbraw/zinc/93/64/17/777936417.db2.gz CMQSQJOTBVFARL-YUMQZZPRSA-N 0 3 274.321 -2.595 20 0 CAADHN CC(=O)N(C)C[C@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001284376465 777937672 /nfs/dbraw/zinc/93/76/72/777937672.db2.gz VYOVKIUXJKKBOC-HTRCEHHLSA-N 0 3 260.294 -2.001 20 0 CAADHN CC[C@H](C(=O)N1CC[C@H](CNC(=O)C(N)=O)C1)N(C)C ZINC001284379650 777938046 /nfs/dbraw/zinc/93/80/46/777938046.db2.gz LIUQASGJOVUWDF-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)OCC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001284385014 777938411 /nfs/dbraw/zinc/93/84/11/777938411.db2.gz DYBFCGCNXGBONM-SECBINFHSA-N 0 3 261.322 -1.694 20 0 CAADHN CC(C)OCC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001284385015 777938651 /nfs/dbraw/zinc/93/86/51/777938651.db2.gz DYBFCGCNXGBONM-VIFPVBQESA-N 0 3 261.322 -1.694 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CCOC1 ZINC001284387629 777938673 /nfs/dbraw/zinc/93/86/73/777938673.db2.gz MZAXGJAOPQYIFO-RKDXNWHRSA-N 0 3 259.306 -2.083 20 0 CAADHN CC[C@H](C(=O)N1CC[C@@H](CNC(=O)C(N)=O)C1)N(C)C ZINC001284379652 777938696 /nfs/dbraw/zinc/93/86/96/777938696.db2.gz LIUQASGJOVUWDF-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CCOC1 ZINC001284387623 777938707 /nfs/dbraw/zinc/93/87/07/777938707.db2.gz MZAXGJAOPQYIFO-DTWKUNHWSA-N 0 3 259.306 -2.083 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CC1(F)F ZINC001284404520 777939260 /nfs/dbraw/zinc/93/92/60/777939260.db2.gz XEFLVXWYSGCDBY-NKWVEPMBSA-N 0 3 265.260 -1.464 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@H]1CCC(=O)N1 ZINC001284405930 777939414 /nfs/dbraw/zinc/93/94/14/777939414.db2.gz ZYXIUDZANMDMFK-RKDXNWHRSA-N 0 3 261.297 -1.357 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CC1(F)F ZINC001284404521 777939631 /nfs/dbraw/zinc/93/96/31/777939631.db2.gz XEFLVXWYSGCDBY-RNFRBKRXSA-N 0 3 265.260 -1.464 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CC1(F)F ZINC001284404519 777939695 /nfs/dbraw/zinc/93/96/95/777939695.db2.gz XEFLVXWYSGCDBY-BQBZGAKWSA-N 0 3 265.260 -1.464 20 0 CAADHN C[C@@H](CC(=O)N(C)C[C@H](O)CNCCF)NC(N)=O ZINC001284418941 777940018 /nfs/dbraw/zinc/94/00/18/777940018.db2.gz WNTDJMMSALXPGN-DTWKUNHWSA-N 0 3 278.328 -1.188 20 0 CAADHN C[C@H](CC(=O)N(C)C[C@@H](O)CNCCF)NC(N)=O ZINC001284418936 777940106 /nfs/dbraw/zinc/94/01/06/777940106.db2.gz WNTDJMMSALXPGN-BDAKNGLRSA-N 0 3 278.328 -1.188 20 0 CAADHN Cc1ncccc1CNC[C@H](O)CN(C)C(=O)C(N)=O ZINC001284444729 777942316 /nfs/dbraw/zinc/94/23/16/777942316.db2.gz NBRFJMUZOWKVEQ-NSHDSACASA-N 0 3 280.328 -1.216 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)CN1C(=O)CCC1=O ZINC001284467843 777945041 /nfs/dbraw/zinc/94/50/41/777945041.db2.gz LDXAQFLTDNVWRP-VIFPVBQESA-N 0 3 289.307 -1.486 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001284481349 777945293 /nfs/dbraw/zinc/94/52/93/777945293.db2.gz GIYBCJMATDYZPZ-MNOVXSKESA-N 0 3 260.334 -1.234 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cnccn1 ZINC001284483540 777945659 /nfs/dbraw/zinc/94/56/59/777945659.db2.gz UEUDGOKRSRZZSY-SNVBAGLBSA-N 0 3 268.317 -1.166 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001284479762 777945953 /nfs/dbraw/zinc/94/59/53/777945953.db2.gz ZSJANSRIMCZMCY-IUCAKERBSA-N 0 3 289.307 -1.582 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)C[C@H]1CC(=O)NC1=O ZINC001284479758 777946083 /nfs/dbraw/zinc/94/60/83/777946083.db2.gz ZSJANSRIMCZMCY-BDAKNGLRSA-N 0 3 289.307 -1.582 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001284479760 777946116 /nfs/dbraw/zinc/94/61/16/777946116.db2.gz ZSJANSRIMCZMCY-DTWKUNHWSA-N 0 3 289.307 -1.582 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284509015 777947488 /nfs/dbraw/zinc/94/74/88/777947488.db2.gz IIMWWIWHGVWHHR-SECBINFHSA-N 0 3 273.333 -2.005 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001284509016 777947547 /nfs/dbraw/zinc/94/75/47/777947547.db2.gz IIMWWIWHGVWHHR-VIFPVBQESA-N 0 3 273.333 -2.005 20 0 CAADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCN(C)C(=O)C(N)=O ZINC001284535026 777947987 /nfs/dbraw/zinc/94/79/87/777947987.db2.gz FAHWMFQSIBIMAH-AOOOYVTPSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001284517412 777948593 /nfs/dbraw/zinc/94/85/93/777948593.db2.gz VBLMXHUKKLNSRE-MRVPVSSYSA-N 0 3 258.278 -1.573 20 0 CAADHN CN(CCNC(=O)[C@H]1CCNC1=O)C(=O)CN1CCCC1 ZINC001284565630 777949560 /nfs/dbraw/zinc/94/95/60/777949560.db2.gz PVORMLPZWNECNQ-NSHDSACASA-N 0 3 296.371 -1.207 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)C(N)=O)C(C)(C)C ZINC001284625787 777952968 /nfs/dbraw/zinc/95/29/68/777952968.db2.gz SAXKFYIXJDUXKI-MRVPVSSYSA-N 0 3 272.349 -1.272 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)C(N)=O ZINC001284688724 777954084 /nfs/dbraw/zinc/95/40/84/777954084.db2.gz AMIMCZUQMCGAGM-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1cnnn1C ZINC001284863800 777957171 /nfs/dbraw/zinc/95/71/71/777957171.db2.gz OPBWWHKOWLUGOQ-UHFFFAOYSA-N 0 3 284.320 -2.021 20 0 CAADHN O=C(Cn1cnnn1)NCC1=CCN(CCO)CC1 ZINC001284879353 777958265 /nfs/dbraw/zinc/95/82/65/777958265.db2.gz ABQAGWKYKXGGLA-UHFFFAOYSA-N 0 3 266.305 -1.586 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)CC(=O)NC)C1)N(C)C ZINC001284925191 777961087 /nfs/dbraw/zinc/96/10/87/777961087.db2.gz LMWIKMAXTRYFFM-SNVBAGLBSA-N 0 3 284.360 -1.210 20 0 CAADHN CN(CC(=O)N1CC(NC(=O)C(N)=O)C1)CC(C)(C)C ZINC001284938985 777961290 /nfs/dbraw/zinc/96/12/90/777961290.db2.gz SRNHAGIFLQZAIB-UHFFFAOYSA-N 0 3 284.360 -1.223 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CCNC2=O)C1)N(C)C ZINC001284925241 777961890 /nfs/dbraw/zinc/96/18/90/777961890.db2.gz MKUAAYBFGUFEQZ-WDEREUQCSA-N 0 3 296.371 -1.210 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)C(N)=O)C1 ZINC001284930720 777961947 /nfs/dbraw/zinc/96/19/47/777961947.db2.gz AMFCCSDFZNWUBP-UHFFFAOYSA-N 0 3 256.306 -1.860 20 0 CAADHN CC[C@@H](C(=O)N1CC(CNC(=O)CC(N)=O)C1)N(C)C ZINC001284960834 777963387 /nfs/dbraw/zinc/96/33/87/777963387.db2.gz WDKZFWBGYQVXLM-JTQLQIEISA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)[C@H](C(=O)N1CC(CNC(=O)C(N)=O)C1)N(C)C ZINC001284990459 777964275 /nfs/dbraw/zinc/96/42/75/777964275.db2.gz XWBRFVIMIPIOMV-SNVBAGLBSA-N 0 3 284.360 -1.368 20 0 CAADHN CCCN(C)CC(=O)NCC1CN(C(=O)C(N)=O)C1 ZINC001284982416 777964700 /nfs/dbraw/zinc/96/47/00/777964700.db2.gz DUFDDKUFEPOQDJ-UHFFFAOYSA-N 0 3 270.333 -1.612 20 0 CAADHN CC[C@H](CNC(=O)[C@H](CC)N(C)C)NC(=O)C(N)=O ZINC001285079858 777965562 /nfs/dbraw/zinc/96/55/62/777965562.db2.gz VFWOFUOFLYBKLV-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C(N)=O ZINC001285064852 777965757 /nfs/dbraw/zinc/96/57/57/777965757.db2.gz QAJZIRPGIMMRIA-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](CC)N(C)C)NC(=O)C(N)=O ZINC001285079862 777966028 /nfs/dbraw/zinc/96/60/28/777966028.db2.gz VFWOFUOFLYBKLV-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](C)CNC(=O)C(N)=O)N(C)C ZINC001285237378 777970001 /nfs/dbraw/zinc/97/00/01/777970001.db2.gz TVGZBDVEDZJJQP-RKDXNWHRSA-N 0 3 272.349 -1.320 20 0 CAADHN CC[C@@H](C(=O)N(C)CCN(C)C(=O)C(N)=O)N(C)C ZINC001285384218 777972731 /nfs/dbraw/zinc/97/27/31/777972731.db2.gz JGHSBMGONIFVBF-VIFPVBQESA-N 0 3 272.349 -1.271 20 0 CAADHN CCCN(C)CC(=O)N(C)CCN(C)C(=O)C(N)=O ZINC001285381959 777972964 /nfs/dbraw/zinc/97/29/64/777972964.db2.gz ATUXNYFWADJSRQ-UHFFFAOYSA-N 0 3 272.349 -1.270 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNC(=O)CC(N)=O)N(C)C ZINC001285427812 777976747 /nfs/dbraw/zinc/97/67/47/777976747.db2.gz VRHXGPVVSBKEHC-DTWKUNHWSA-N 0 3 288.348 -2.205 20 0 CAADHN CC[C@H](C(=O)NC/C=C\CNC(=O)CC(N)=O)N(C)C ZINC001285512466 777979227 /nfs/dbraw/zinc/97/92/27/777979227.db2.gz KUCXAOUHGVAMEJ-WWQCOOJYSA-N 0 3 284.360 -1.009 20 0 CAADHN CC[C@H](C(=O)NC/C=C/CNC(=O)C(N)=O)N(C)C ZINC001285594223 777980827 /nfs/dbraw/zinc/98/08/27/777980827.db2.gz HTFSWMNJLZVDAJ-VUHVRTRXSA-N 0 3 270.333 -1.400 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](C)NC(=O)CC(N)=O ZINC001285631988 777982100 /nfs/dbraw/zinc/98/21/00/777982100.db2.gz JLXZDFXQHRDCBU-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CC(C)[C@@H](C(=O)NC[C@H](C)NC(=O)C(N)=O)N(C)C ZINC001285771837 777987338 /nfs/dbraw/zinc/98/73/38/777987338.db2.gz FUWPDOLUHMBBEV-IUCAKERBSA-N 0 3 272.349 -1.321 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(NC(=O)CC(N)=O)CC1 ZINC001285934158 777994600 /nfs/dbraw/zinc/99/46/00/777994600.db2.gz FCHUTEQRMLNGJC-UHFFFAOYSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](C(=O)N1CC(N(C)C(=O)CC(N)=O)C1)N(C)C ZINC001286004170 777995556 /nfs/dbraw/zinc/99/55/56/777995556.db2.gz WRNOVHNTDRNHER-SNVBAGLBSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1 ZINC001286262438 777999416 /nfs/dbraw/zinc/99/94/16/777999416.db2.gz CILORHGRFQNOOR-RTCCRHLQSA-N 0 3 296.371 -1.368 20 0 CAADHN CC(C)N(C)CC(=O)N(C)C[C@H](C)NC(=O)C(N)=O ZINC001287637733 778004004 /nfs/dbraw/zinc/00/40/04/778004004.db2.gz KZMKYTWOVKPDDX-VIFPVBQESA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@@H](CN(C)C(=O)C(N)=O)NC(=O)CN1CCC[C@H]1C ZINC001287708123 778004584 /nfs/dbraw/zinc/00/45/84/778004584.db2.gz ZTCIJVPNQAZUQG-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)C(N)=O ZINC001287795548 778009972 /nfs/dbraw/zinc/00/99/72/778009972.db2.gz UMGOGUTZUWVMIC-MRVPVSSYSA-N 0 3 274.321 -2.595 20 0 CAADHN CCCN(C)CC(=O)N[C@H](CO)CNC(=O)C(N)=O ZINC001287832772 778011753 /nfs/dbraw/zinc/01/17/53/778011753.db2.gz HZFYDEBAWRYIBI-QMMMGPOBSA-N 0 3 274.321 -2.593 20 0 CAADHN CC(=O)N[C@@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001287845625 778012930 /nfs/dbraw/zinc/01/29/30/778012930.db2.gz OLJQBKBGLCLVFQ-GXSJLCMTSA-N 0 3 257.334 -1.059 20 0 CAADHN CC(=O)N[C@H](CO)CNC(=O)CN1CC[C@H](C)C1 ZINC001287845629 778014145 /nfs/dbraw/zinc/01/41/45/778014145.db2.gz OLJQBKBGLCLVFQ-ONGXEEELSA-N 0 3 257.334 -1.059 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001287951421 778015311 /nfs/dbraw/zinc/01/53/11/778015311.db2.gz RVMZJOWICHEWMS-VHSXEESVSA-N 0 3 284.360 -1.083 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21 ZINC001288961939 778020807 /nfs/dbraw/zinc/02/08/07/778020807.db2.gz SAZKDHRFBVABJD-WDEREUQCSA-N 0 3 296.371 -1.129 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001289174863 778023940 /nfs/dbraw/zinc/02/39/40/778023940.db2.gz FEXQQWHSMIMELR-RKDXNWHRSA-N 0 3 286.332 -2.499 20 0 CAADHN CC[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)C(N)=O)C1)N(C)C ZINC001290049583 778026859 /nfs/dbraw/zinc/02/68/59/778026859.db2.gz IQVZHMFJSKWWSA-KXUCPTDWSA-N 0 3 284.360 -1.177 20 0 CAADHN CCN1CCN(CCCNC(=O)Cn2nnc(N)n2)CC1 ZINC001290868836 778030702 /nfs/dbraw/zinc/03/07/02/778030702.db2.gz DBDAFTKBYHJBDD-UHFFFAOYSA-N 0 3 296.379 -1.601 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C1(O)COC1 ZINC001292419478 778033075 /nfs/dbraw/zinc/03/30/75/778033075.db2.gz JUBJYBQFZPRRCJ-VHSXEESVSA-N 0 3 256.302 -1.273 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C1(O)COC1 ZINC001292419479 778033150 /nfs/dbraw/zinc/03/31/50/778033150.db2.gz JUBJYBQFZPRRCJ-ZJUUUORDSA-N 0 3 256.302 -1.273 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)CNC(=O)OC)N(C)C ZINC001292538913 778039356 /nfs/dbraw/zinc/03/93/56/778039356.db2.gz AEXSPXVAAZEUIB-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@H]1CCC(=O)N1)N(C)C ZINC001292576816 778040658 /nfs/dbraw/zinc/04/06/58/778040658.db2.gz CILDMUVOWSGHOV-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNC(=O)CC(N)=O)C1 ZINC001292598381 778041785 /nfs/dbraw/zinc/04/17/85/778041785.db2.gz IZVIGDAMAJYXLW-VIFPVBQESA-N 0 3 270.333 -1.564 20 0 CAADHN CC(C)[C@@H](C(=O)NCCNC(=O)[C@@H]1CCNC1=O)N(C)C ZINC001292869010 778049023 /nfs/dbraw/zinc/04/90/23/778049023.db2.gz NRWMXXSPPCVUID-MNOVXSKESA-N 0 3 298.387 -1.059 20 0 CAADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCNC(=O)C(N)=O ZINC001292857246 778049158 /nfs/dbraw/zinc/04/91/58/778049158.db2.gz KMMJRSKSVWOXNG-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)NCC(=O)NCCNC(=O)CN(C)C(C)C ZINC001292858579 778049272 /nfs/dbraw/zinc/04/92/72/778049272.db2.gz VVKRUVDYKJFUFB-UHFFFAOYSA-N 0 3 287.364 -1.512 20 0 CAADHN O=C(CCN1CCOCC1)NCCNC(=O)c1ncn[nH]1 ZINC001292982481 778050641 /nfs/dbraw/zinc/05/06/41/778050641.db2.gz LEWVABVNMVPYTP-UHFFFAOYSA-N 0 3 296.331 -1.627 20 0 CAADHN O=C(CCN1CCOCC1)NCCNC(=O)c1nc[nH]n1 ZINC001292982481 778050653 /nfs/dbraw/zinc/05/06/53/778050653.db2.gz LEWVABVNMVPYTP-UHFFFAOYSA-N 0 3 296.331 -1.627 20 0 CAADHN CC(C)[C@H](C(=O)NCCNC(=O)[C@@H]1CCNC1=O)N(C)C ZINC001293039979 778052089 /nfs/dbraw/zinc/05/20/89/778052089.db2.gz NRWMXXSPPCVUID-GHMZBOCLSA-N 0 3 298.387 -1.059 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001293021058 778052487 /nfs/dbraw/zinc/05/24/87/778052487.db2.gz OBDJOMDMOFYARJ-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001293021059 778052634 /nfs/dbraw/zinc/05/26/34/778052634.db2.gz OBDJOMDMOFYARJ-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](C(=O)NCCCNC(=O)Cn1cnnn1)N(C)C ZINC001293133248 778054583 /nfs/dbraw/zinc/05/45/83/778054583.db2.gz WRFFCENLJADPRH-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@H](N(C)C(=O)C(N)=O)C1 ZINC001293671055 778060474 /nfs/dbraw/zinc/06/04/74/778060474.db2.gz JSQXYTVOFPIBAE-JTQLQIEISA-N 0 3 284.360 -1.129 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001293579183 778060650 /nfs/dbraw/zinc/06/06/50/778060650.db2.gz KVZATBKBOWCPCA-SECBINFHSA-N 0 3 270.333 -1.471 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@@H](N(C)C(=O)C(N)=O)C1 ZINC001293671057 778061005 /nfs/dbraw/zinc/06/10/05/778061005.db2.gz JSQXYTVOFPIBAE-SNVBAGLBSA-N 0 3 284.360 -1.129 20 0 CAADHN CCN(CC)CC(=O)N1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001293868846 778062733 /nfs/dbraw/zinc/06/27/33/778062733.db2.gz FFRRTSNAXMMFNJ-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC001294798995 778067995 /nfs/dbraw/zinc/06/79/95/778067995.db2.gz YKYYBAVGRYRXAL-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC001294798306 778068461 /nfs/dbraw/zinc/06/84/61/778068461.db2.gz KVZATBKBOWCPCA-VIFPVBQESA-N 0 3 270.333 -1.471 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC001294798994 778068719 /nfs/dbraw/zinc/06/87/19/778068719.db2.gz YKYYBAVGRYRXAL-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CCN(CC)CC(=O)N[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001294929074 778069217 /nfs/dbraw/zinc/06/92/17/778069217.db2.gz GZMZBVAINMDTPN-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CC(N)=O)C1 ZINC001295041568 778071850 /nfs/dbraw/zinc/07/18/50/778071850.db2.gz XNTILRUCBFBMBI-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)CC(N)=O ZINC001295442925 778077009 /nfs/dbraw/zinc/07/70/09/778077009.db2.gz NAZIXRPXFMBPCW-ZETCQYMHSA-N 0 3 281.316 -1.243 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](C)NC(=O)C(N)=O ZINC001295586877 778081450 /nfs/dbraw/zinc/08/14/50/778081450.db2.gz KMYOMTIUHCSGHT-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001295725385 778085298 /nfs/dbraw/zinc/08/52/98/778085298.db2.gz NIMHZUMGCSVPIJ-SNVBAGLBSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)[C@H](C(=O)N(C)CCNC(=O)C(N)=O)N(C)C ZINC001296213602 778092768 /nfs/dbraw/zinc/09/27/68/778092768.db2.gz BYAYAIBPXLRCME-SECBINFHSA-N 0 3 272.349 -1.368 20 0 CAADHN CCN(CCNC(=O)CN1CC[C@H](C)C1)C(=O)C(N)=O ZINC001296375973 778096665 /nfs/dbraw/zinc/09/66/65/778096665.db2.gz YNHPDIUAJLTPTN-JTQLQIEISA-N 0 3 284.360 -1.222 20 0 CAADHN CC(C)[C@H](C(=O)NC1CN(C(=O)CC(N)=O)C1)N(C)C ZINC001297137848 778105693 /nfs/dbraw/zinc/10/56/93/778105693.db2.gz SJNNYNXHMRXHNR-GFCCVEGCSA-N 0 3 284.360 -1.225 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NC(=O)[C@H](CC)N(C)C ZINC001297478527 778109725 /nfs/dbraw/zinc/10/97/25/778109725.db2.gz FSHBKVZCVKHTCQ-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NC(=O)[C@H](CC)N(C)C ZINC001297478528 778109973 /nfs/dbraw/zinc/10/99/73/778109973.db2.gz FSHBKVZCVKHTCQ-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001297516821 778110945 /nfs/dbraw/zinc/11/09/45/778110945.db2.gz LFSSNARKPGILKM-JGVFFNPUSA-N 0 3 272.305 -1.987 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001297516822 778111014 /nfs/dbraw/zinc/11/10/14/778111014.db2.gz LFSSNARKPGILKM-SFYZADRCSA-N 0 3 272.305 -1.987 20 0 CAADHN CCN(CC)CC(=O)NC[C@H]1CCCN1C(=O)C(N)=O ZINC001297694068 778111842 /nfs/dbraw/zinc/11/18/42/778111842.db2.gz IKQMDLSNWAKEKG-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CCCN(C)CC(=O)N1CCC[C@@H]1CNC(=O)C(N)=O ZINC001297685826 778111901 /nfs/dbraw/zinc/11/19/01/778111901.db2.gz YOJCLBHLFODMSO-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)C(N)=O ZINC001298310746 778120203 /nfs/dbraw/zinc/12/02/03/778120203.db2.gz IIMMBVWUFSPIBJ-GKQMSVHHSA-N 0 3 268.317 -1.646 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@H]3CCNC3=O)C2)CC1 ZINC001298437572 778120936 /nfs/dbraw/zinc/12/09/36/778120936.db2.gz IWUNLHXOSWSZJA-LBPRGKRZSA-N 0 3 280.372 -1.172 20 0 CAADHN CN(C)C1(C(=O)NC/C=C\CNC(=O)C(N)=O)CCC1 ZINC001298441116 778121281 /nfs/dbraw/zinc/12/12/81/778121281.db2.gz AGAWNWFXYBAFJN-ARJAWSKDSA-N 0 3 282.344 -1.255 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@@H]3CCNC3=O)C2)CC1 ZINC001298437571 778121388 /nfs/dbraw/zinc/12/13/88/778121388.db2.gz IWUNLHXOSWSZJA-GFCCVEGCSA-N 0 3 280.372 -1.172 20 0 CAADHN CCN(CC)CC(=O)NC1(CNC(=O)CC(N)=O)CC1 ZINC001299130481 778129719 /nfs/dbraw/zinc/12/97/19/778129719.db2.gz AGDPWCMGBBTUKG-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN CC[C@H](C(=O)NC1(CNC(=O)CC(N)=O)CC1)N(C)C ZINC001299136627 778129889 /nfs/dbraw/zinc/12/98/89/778129889.db2.gz OCOYFNXKUIWBSQ-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(CCn1cnnn1)N1CC(N[C@H]2CCOC2)C1 ZINC001304086162 778143041 /nfs/dbraw/zinc/14/30/41/778143041.db2.gz WMGBWNYXRIVFAA-VIFPVBQESA-N 0 3 266.305 -1.348 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC(N[C@@H]2CCOC2)C1 ZINC001304080187 778143141 /nfs/dbraw/zinc/14/31/41/778143141.db2.gz UCCUJIQHFLVZJR-SCZZXKLOSA-N 0 3 253.302 -1.146 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC(N[C@H]2CCOC2)C1 ZINC001304080189 778143190 /nfs/dbraw/zinc/14/31/90/778143190.db2.gz UCCUJIQHFLVZJR-WPRPVWTQSA-N 0 3 253.302 -1.146 20 0 CAADHN CNC(=O)CCN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001116858014 779514626 /nfs/dbraw/zinc/51/46/26/779514626.db2.gz FWIXWDUSVURADI-NSHDSACASA-N 0 3 254.290 -1.204 20 0 CAADHN COC[C@H](O)CN1CCC[C@@]2(C1)NC(=O)NC2=O ZINC001116858106 779514674 /nfs/dbraw/zinc/51/46/74/779514674.db2.gz JYZNOQFOAOUKRE-KCJUWKMLSA-N 0 3 257.290 -1.332 20 0 CAADHN COCCN1CCC(NC(=O)C(=O)N2CC(CO)C2)CC1 ZINC001117116749 779524449 /nfs/dbraw/zinc/52/44/49/779524449.db2.gz QKJOWRIHGMVZEP-UHFFFAOYSA-N 0 3 299.371 -1.336 20 0 CAADHN NC(=O)[C@]1(O)CCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001117128733 779526293 /nfs/dbraw/zinc/52/62/93/779526293.db2.gz IEZYIKNFMINLDJ-LOWVWBTDSA-N 0 3 269.345 -1.228 20 0 CAADHN CON(C)C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC001117151723 779526327 /nfs/dbraw/zinc/52/63/27/779526327.db2.gz VSMCAFXBSLVZOS-VHSXEESVSA-N 0 3 271.317 -1.014 20 0 CAADHN CON(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001117151724 779526502 /nfs/dbraw/zinc/52/65/02/779526502.db2.gz VSMCAFXBSLVZOS-ZJUUUORDSA-N 0 3 271.317 -1.014 20 0 CAADHN O=C1NC(=O)[C@]2(CCCN(CCN3CCNC3=O)C2)N1 ZINC001117548454 779537424 /nfs/dbraw/zinc/53/74/24/779537424.db2.gz SABKKAJMHRDFFU-GFCCVEGCSA-N 0 3 281.316 -1.314 20 0 CAADHN C[C@@H](CNC(=O)C(=O)Nc1cnnn1C)N(C)C ZINC001117675381 779540302 /nfs/dbraw/zinc/54/03/02/779540302.db2.gz GZGFWFTVUWAPSP-ZETCQYMHSA-N 0 3 254.294 -1.180 20 0 CAADHN C[C@H](CNC(=O)C(=O)Nc1cnnn1C)N(C)C ZINC001117675378 779540878 /nfs/dbraw/zinc/54/08/78/779540878.db2.gz GZGFWFTVUWAPSP-SSDOTTSWSA-N 0 3 254.294 -1.180 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3cnnn3C)[C@@H]2C1 ZINC001117712538 779541585 /nfs/dbraw/zinc/54/15/85/779541585.db2.gz ISOSOQMJJFJGQL-DTWKUNHWSA-N 0 3 278.316 -1.084 20 0 CAADHN O=C(N[C@@H]1CC(=O)N(C2CC2)C1)C(=O)N1CCCNCC1 ZINC001118039473 779546739 /nfs/dbraw/zinc/54/67/39/779546739.db2.gz XVAKLGYJHSXFNI-SNVBAGLBSA-N 0 3 294.355 -1.312 20 0 CAADHN CS(=O)(=O)CCCC(=O)NC[C@H]1CNCCO1 ZINC001118148382 779549855 /nfs/dbraw/zinc/54/98/55/779549855.db2.gz NCNUFDCRLRSEPI-SECBINFHSA-N 0 3 264.347 -1.084 20 0 CAADHN O=C(CNC[C@H]1CCCO1)NCCN1C(=O)CNC1=O ZINC001118192835 779551742 /nfs/dbraw/zinc/55/17/42/779551742.db2.gz PETZATXPKBRZCR-SECBINFHSA-N 0 3 284.316 -1.577 20 0 CAADHN CC(=O)NCCN(C)C(=O)NC[C@H]1CNCCO1 ZINC001118200039 779553273 /nfs/dbraw/zinc/55/32/73/779553273.db2.gz YNOMPHGLKSIHDB-SNVBAGLBSA-N 0 3 258.322 -1.248 20 0 CAADHN O=c1[nH]c2ccc(S(=O)(=O)NC3CNC3)cc2[nH]c1=O ZINC001118237555 779555818 /nfs/dbraw/zinc/55/58/18/779555818.db2.gz BYVDFDRSZKHKES-UHFFFAOYSA-N 0 3 296.308 -1.534 20 0 CAADHN C[C@H]1NCCN(C(=O)c2cn(CC(N)=O)nn2)[C@H]1C ZINC001118269647 779559297 /nfs/dbraw/zinc/55/92/97/779559297.db2.gz LGMSGJIXEDDNJA-SFYZADRCSA-N 0 3 266.305 -1.414 20 0 CAADHN C[C@H](CS(C)(=O)=O)NC(=O)C1=NO[C@@H](CN)C1 ZINC001118506530 779571513 /nfs/dbraw/zinc/57/15/13/779571513.db2.gz PMJUKXAKANZSEI-RNFRBKRXSA-N 0 3 263.319 -1.361 20 0 CAADHN CNS(=O)(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC001118495753 779572081 /nfs/dbraw/zinc/57/20/81/779572081.db2.gz BGOPLICWDFRJQP-SNVBAGLBSA-N 0 3 263.363 -1.018 20 0 CAADHN NC(=O)N1CCC[C@H]1C(=O)N1CCOC2(CNC2)C1 ZINC001118517357 779573256 /nfs/dbraw/zinc/57/32/56/779573256.db2.gz ZLOZOMOPPCZTTE-VIFPVBQESA-N 0 3 268.317 -1.270 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N[C@H]1C=CCC1 ZINC001118551301 779575392 /nfs/dbraw/zinc/57/53/92/779575392.db2.gz NHTZMPFJYQXARE-VHSXEESVSA-N 0 3 253.302 -1.074 20 0 CAADHN CC(=O)NC[C@@H]1CN(C[C@H]2CNCCO2)CCO1 ZINC001118569279 779576608 /nfs/dbraw/zinc/57/66/08/779576608.db2.gz UTDKBSZKCCFPDK-VXGBXAGGSA-N 0 3 257.334 -1.188 20 0 CAADHN CC(=O)NC[C@H]1CN(C[C@H]2CNCCO2)CCO1 ZINC001118569276 779577092 /nfs/dbraw/zinc/57/70/92/779577092.db2.gz UTDKBSZKCCFPDK-NEPJUHHUSA-N 0 3 257.334 -1.188 20 0 CAADHN O=C(NCCOCCF)C(=O)NC[C@H]1CNCCO1 ZINC001118591666 779578792 /nfs/dbraw/zinc/57/87/92/779578792.db2.gz OBANMIBXRVINSJ-SECBINFHSA-N 0 3 277.296 -1.807 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001118713705 779582806 /nfs/dbraw/zinc/58/28/06/779582806.db2.gz GBUSQLUMTCQEEF-OUAUKWLOSA-N 0 3 267.329 -1.068 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001118713704 779583102 /nfs/dbraw/zinc/58/31/02/779583102.db2.gz GBUSQLUMTCQEEF-GARJFASQSA-N 0 3 267.329 -1.068 20 0 CAADHN O=C(CCCN1C(=O)CNC1=O)NCCN1CC[C@H](O)C1 ZINC001118905803 779595424 /nfs/dbraw/zinc/59/54/24/779595424.db2.gz ZVBWFQWXXXTVKB-JTQLQIEISA-N 0 3 298.343 -1.499 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 ZINC001118901393 779595674 /nfs/dbraw/zinc/59/56/74/779595674.db2.gz UGRUUSKWYAMKJU-AOOOYVTPSA-N 0 3 284.360 -1.271 20 0 CAADHN CN1CCC[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1=O ZINC001118929002 779598073 /nfs/dbraw/zinc/59/80/73/779598073.db2.gz RXHWBQMLSDDGKX-ZJUUUORDSA-N 0 3 298.343 -2.172 20 0 CAADHN CN1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1=O ZINC001118929001 779598459 /nfs/dbraw/zinc/59/84/59/779598459.db2.gz RXHWBQMLSDDGKX-VHSXEESVSA-N 0 3 298.343 -2.172 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149084170 779604491 /nfs/dbraw/zinc/60/44/91/779604491.db2.gz WBYGOUJLPKHSLZ-LLVKDONJSA-N 0 3 273.333 -1.678 20 0 CAADHN CCN1CC[C@@H](NC(=O)C(=O)NCCN(C)C2CC2)C1=O ZINC001119070207 779605355 /nfs/dbraw/zinc/60/53/55/779605355.db2.gz HVTWNSCRGRZXDI-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN CN1CC[C@@H](N2CCC(NC(=O)CN)CC2)C1=O ZINC001119241349 779608806 /nfs/dbraw/zinc/60/88/06/779608806.db2.gz BQRMVBLBZHBINV-SNVBAGLBSA-N 0 3 254.334 -1.244 20 0 CAADHN Nc1ncn(CC(=O)N2CCOC3(CNC3)C2)n1 ZINC001119238716 779609149 /nfs/dbraw/zinc/60/91/49/779609149.db2.gz CASHVHONOCQOLI-UHFFFAOYSA-N 0 3 252.278 -1.939 20 0 CAADHN CN1CC[C@H](N2CCC(NC(=O)CN)CC2)C1=O ZINC001119241348 779609183 /nfs/dbraw/zinc/60/91/83/779609183.db2.gz BQRMVBLBZHBINV-JTQLQIEISA-N 0 3 254.334 -1.244 20 0 CAADHN Cn1nnnc1CCN1CCC2(CC1)NC(=O)N(C)C2=O ZINC001119307793 779611026 /nfs/dbraw/zinc/61/10/26/779611026.db2.gz BZJPGQOOVZKWHL-UHFFFAOYSA-N 0 3 293.331 -1.231 20 0 CAADHN Cn1nnnc1CCN1CCC[C@@H](CO)[C@H]1CO ZINC001119315791 779611182 /nfs/dbraw/zinc/61/11/82/779611182.db2.gz VTQIHIROPFJFNC-VHSXEESVSA-N 0 3 255.322 -1.182 20 0 CAADHN COC[C@]1(CO)CCN(CCCS(N)(=O)=O)C1 ZINC001119312691 779611328 /nfs/dbraw/zinc/61/13/28/779611328.db2.gz MBUXXRHLHIFETQ-SNVBAGLBSA-N 0 3 266.363 -1.004 20 0 CAADHN COC(=O)[C@@H](O)C1CCN(CCn2cnnn2)CC1 ZINC001119308274 779611360 /nfs/dbraw/zinc/61/13/60/779611360.db2.gz KYWSCZBBLSIHFT-JTQLQIEISA-N 0 3 269.305 -1.081 20 0 CAADHN C[C@H](CNC(=O)C(=O)Nc1cn(C)nn1)N(C)C ZINC001119439464 779614230 /nfs/dbraw/zinc/61/42/30/779614230.db2.gz TVWTUFHOFSCTMT-SSDOTTSWSA-N 0 3 254.294 -1.180 20 0 CAADHN C[C@@H](CNC(=O)C(=O)Nc1cn(C)nn1)N(C)C ZINC001119439465 779614276 /nfs/dbraw/zinc/61/42/76/779614276.db2.gz TVWTUFHOFSCTMT-ZETCQYMHSA-N 0 3 254.294 -1.180 20 0 CAADHN CCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2CNCCO2)C1=O ZINC001119424575 779614409 /nfs/dbraw/zinc/61/44/09/779614409.db2.gz ZEWXCEYBUOXLTI-NXEZZACHSA-N 0 3 298.343 -2.172 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCCNC(=O)C1 ZINC001119423389 779614765 /nfs/dbraw/zinc/61/47/65/779614765.db2.gz NIOVOPCJDQQKGQ-VIFPVBQESA-N 0 3 284.316 -2.561 20 0 CAADHN Cn1cc(NC(=O)C(=O)N2C[C@H]3CCN(C)[C@H]3C2)nn1 ZINC001119452407 779614792 /nfs/dbraw/zinc/61/47/92/779614792.db2.gz KOXZSZYWJUWXJE-BDAKNGLRSA-N 0 3 278.316 -1.084 20 0 CAADHN O=C(NC[C@H]1CNCCO1)N[C@@H]1COCC[C@H]1O ZINC001119476856 779615981 /nfs/dbraw/zinc/61/59/81/779615981.db2.gz JPFMHEUBZVCFNB-OPRDCNLKSA-N 0 3 259.306 -1.576 20 0 CAADHN Cn1nncc1S(=O)(=O)N1CCNCCNCC1 ZINC001119618004 779619626 /nfs/dbraw/zinc/61/96/26/779619626.db2.gz ZSFXCKTWFRTRNC-UHFFFAOYSA-N 0 3 274.350 -2.001 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(C[C@@H]2COCCO2)C1=O ZINC001119622507 779619946 /nfs/dbraw/zinc/61/99/46/779619946.db2.gz NHQIQRFLUPOCFI-BDAKNGLRSA-N 0 3 257.290 -1.116 20 0 CAADHN CNC(=O)CCN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC001119634494 779620698 /nfs/dbraw/zinc/62/06/98/779620698.db2.gz KKXRMLRIRCIOAB-UHFFFAOYSA-N 0 3 299.375 -2.398 20 0 CAADHN O=C(Nc1ccon1)C(=O)N1CCNCCNCC1 ZINC001119639921 779621023 /nfs/dbraw/zinc/62/10/23/779621023.db2.gz HAIYNQPLFQZFDH-UHFFFAOYSA-N 0 3 267.289 -1.366 20 0 CAADHN CN(CCCF)C(=O)C(=O)N1CCNCCNCC1 ZINC001119636478 779621261 /nfs/dbraw/zinc/62/12/61/779621261.db2.gz QCSQGFJGTZTWOA-UHFFFAOYSA-N 0 3 274.340 -1.174 20 0 CAADHN C[C@H](O)[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001119703129 779624703 /nfs/dbraw/zinc/62/47/03/779624703.db2.gz KBJZXUVDAGVWPX-NWDGAFQWSA-N 0 3 298.387 -1.763 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)CO)C[C@H](C)N1C[C@@H](O)CO ZINC001119855753 779627491 /nfs/dbraw/zinc/62/74/91/779627491.db2.gz UBRDQRQQCZHSSY-WRWGMCAJSA-N 0 3 262.350 -1.913 20 0 CAADHN Cc1nnc(CNC(=O)C(=O)N(C)CCN(C)C)[nH]1 ZINC001119876384 779627689 /nfs/dbraw/zinc/62/76/89/779627689.db2.gz WCJBLQWPENVUKP-UHFFFAOYSA-N 0 3 268.321 -1.251 20 0 CAADHN CNC(=O)CCCN(C)C(=O)[C@@H]1CNCCN1C ZINC001121958133 779654059 /nfs/dbraw/zinc/65/40/59/779654059.db2.gz PLNVZAADSLWQQO-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@@H]1CNCCN1C ZINC001122095612 779657563 /nfs/dbraw/zinc/65/75/63/779657563.db2.gz IFGIRBLIWVQSNI-BDAKNGLRSA-N 0 3 258.322 -1.586 20 0 CAADHN C[C@@H]1[C@H](NCc2cn(CC(N)=O)nn2)CCN1C ZINC001120046709 779631466 /nfs/dbraw/zinc/63/14/66/779631466.db2.gz LNWCDOIUXKVSKU-PSASIEDQSA-N 0 3 252.322 -1.054 20 0 CAADHN CON(C)C(=O)CCNC[C@@H](O)CS(C)(=O)=O ZINC001120380216 779634662 /nfs/dbraw/zinc/63/46/62/779634662.db2.gz GVAUEUAYCDUENY-MRVPVSSYSA-N 0 3 268.335 -1.609 20 0 CAADHN C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCNCCNCC1 ZINC001120427725 779636616 /nfs/dbraw/zinc/63/66/16/779636616.db2.gz QOLUOTOFWSYOJE-GHMZBOCLSA-N 0 3 268.361 -1.220 20 0 CAADHN C[C@H]1C[C@H]1CNC(=O)C(=O)N1CCNCCNCC1 ZINC001120427727 779636631 /nfs/dbraw/zinc/63/66/31/779636631.db2.gz QOLUOTOFWSYOJE-QWRGUYRKSA-N 0 3 268.361 -1.220 20 0 CAADHN O=C(NCCOCCF)C(=O)N1CCNCCNCC1 ZINC001120435958 779636722 /nfs/dbraw/zinc/63/67/22/779636722.db2.gz MHBVMTDDXNMJIQ-UHFFFAOYSA-N 0 3 290.339 -1.890 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@@H](C)N)C[C@H]1C(=O)OC ZINC001122344612 779665424 /nfs/dbraw/zinc/66/54/24/779665424.db2.gz JVTQNZJJAKQMLS-PRJMDXOYSA-N 0 3 258.274 -1.246 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)CCOC ZINC001122409785 779667747 /nfs/dbraw/zinc/66/77/47/779667747.db2.gz TYTXOMCZHQHRHV-UHFFFAOYSA-N 0 3 281.378 -1.332 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCCN1C(=O)CSC1=O ZINC001120462872 779638919 /nfs/dbraw/zinc/63/89/19/779638919.db2.gz VTYLOBGALWLBOW-QMMMGPOBSA-N 0 3 286.357 -1.298 20 0 CAADHN CC[C@H](NCCNC(=O)C1=COCCO1)C(N)=O ZINC001123031303 779676741 /nfs/dbraw/zinc/67/67/41/779676741.db2.gz CUOFCPHZVRTSNE-QMMMGPOBSA-N 0 3 257.290 -1.156 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC001121880433 779651689 /nfs/dbraw/zinc/65/16/89/779651689.db2.gz NUUQRPPVVNLZLO-LLVKDONJSA-N 0 3 266.345 -1.277 20 0 CAADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CN1CCNC(=O)C1 ZINC001121931624 779652540 /nfs/dbraw/zinc/65/25/40/779652540.db2.gz PJHXOFPZGKSZHA-VHSXEESVSA-N 0 3 254.334 -1.373 20 0 CAADHN N[C@H](CO)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC001121926174 779652679 /nfs/dbraw/zinc/65/26/79/779652679.db2.gz JXAJDYYBRSVJTR-WDEREUQCSA-N 0 3 257.334 -1.513 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)[C@@H](N)C(C)(C)O ZINC001121997823 779655212 /nfs/dbraw/zinc/65/52/12/779655212.db2.gz IXFWLQSBOCOXGP-VHSXEESVSA-N 0 3 259.350 -1.079 20 0 CAADHN CC(C)[C@H]1CN(C(=O)[C@H]2CN(C)C(=O)CN2)CCN1 ZINC001122016135 779655401 /nfs/dbraw/zinc/65/54/01/779655401.db2.gz XXMSXIWRZIETGE-GHMZBOCLSA-N 0 3 268.361 -1.127 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H]1COC2(CNC2)C1 ZINC001122062961 779656232 /nfs/dbraw/zinc/65/62/32/779656232.db2.gz GXTDIYFJEWUFPN-ZETCQYMHSA-N 0 3 263.319 -2.217 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@H]1CNCCN1C ZINC001122095613 779657247 /nfs/dbraw/zinc/65/72/47/779657247.db2.gz IFGIRBLIWVQSNI-RKDXNWHRSA-N 0 3 258.322 -1.586 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCNCC(=O)N1CCC1 ZINC001149094317 779657377 /nfs/dbraw/zinc/65/73/77/779657377.db2.gz GICMXDBCYDTJRH-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001122104442 779658338 /nfs/dbraw/zinc/65/83/38/779658338.db2.gz ZAAXUQIBELJCQN-FZQKWOKYSA-N 0 3 294.355 -1.599 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)[C@H]1CNCCN1C ZINC001122102795 779658625 /nfs/dbraw/zinc/65/86/25/779658625.db2.gz PGFYFILHOBMZGV-SECBINFHSA-N 0 3 278.378 -2.055 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)[C@@H]1CNCCN1C ZINC001122102799 779659019 /nfs/dbraw/zinc/65/90/19/779659019.db2.gz PGFYFILHOBMZGV-VIFPVBQESA-N 0 3 278.378 -2.055 20 0 CAADHN N[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)CC[C@H]1F ZINC001122155381 779659345 /nfs/dbraw/zinc/65/93/45/779659345.db2.gz HYWASIJTXCNXQI-XLPZGREQSA-N 0 3 257.265 -1.063 20 0 CAADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CCOC2(CNC2)C1 ZINC001122159871 779659608 /nfs/dbraw/zinc/65/96/08/779659608.db2.gz JRACJXDIBLGJHC-ZETCQYMHSA-N 0 3 268.273 -2.215 20 0 CAADHN O=C(CNC(=O)C1CC1)N[C@@H]1COC2(CNC2)C1 ZINC001122142113 779659892 /nfs/dbraw/zinc/65/98/92/779659892.db2.gz IVOJKWBBDLBIGB-VIFPVBQESA-N 0 3 253.302 -1.240 20 0 CAADHN O=C(CNC(=O)C1CC1)N[C@H]1COC2(CNC2)C1 ZINC001122142112 779659920 /nfs/dbraw/zinc/65/99/20/779659920.db2.gz IVOJKWBBDLBIGB-SECBINFHSA-N 0 3 253.302 -1.240 20 0 CAADHN CN1C[C@H](C(=O)N[C@H]2COC3(CNC3)C2)CC1=O ZINC001122141938 779659924 /nfs/dbraw/zinc/65/99/24/779659924.db2.gz HFISUUDTKSFANJ-RKDXNWHRSA-N 0 3 253.302 -1.288 20 0 CAADHN O=C(CN1CCOC1=O)N[C@@H]1COC2(CNC2)C1 ZINC001122143355 779659959 /nfs/dbraw/zinc/65/99/59/779659959.db2.gz KDPCZMOJQPEWHC-QMMMGPOBSA-N 0 3 255.274 -1.314 20 0 CAADHN CC1(C)NC(=O)N(CC(=O)N[C@H]2COC3(CNC3)C2)C1=O ZINC001122142538 779659971 /nfs/dbraw/zinc/65/99/71/779659971.db2.gz SUMMIBCSHMWXSM-MRVPVSSYSA-N 0 3 296.327 -1.436 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2COC3(CNC3)C2)CC1=O ZINC001122141935 779660030 /nfs/dbraw/zinc/66/00/30/779660030.db2.gz HFISUUDTKSFANJ-BDAKNGLRSA-N 0 3 253.302 -1.288 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCN[C@H](C)C(N)=O ZINC001149094341 779660155 /nfs/dbraw/zinc/66/01/55/779660155.db2.gz HBUZRGWWACMOKG-HTQZYQBOSA-N 0 3 273.337 -1.597 20 0 CAADHN O=C(CN1CCCCC(=O)C1=O)N1CCNCCNCC1 ZINC001122199794 779661055 /nfs/dbraw/zinc/66/10/55/779661055.db2.gz ALBMVHBLBIMMIF-UHFFFAOYSA-N 0 3 296.371 -1.411 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCNCC(N)=O ZINC001149095177 779663043 /nfs/dbraw/zinc/66/30/43/779663043.db2.gz UJUJETFVEQLSOT-SSDOTTSWSA-N 0 3 259.310 -1.986 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCN[C@H](C)C(=O)NC ZINC001149095229 779663070 /nfs/dbraw/zinc/66/30/70/779663070.db2.gz WVVZFHVFROFZTP-RKDXNWHRSA-N 0 3 287.364 -1.336 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCN[C@@H](C)C(=O)NC ZINC001149095228 779663107 /nfs/dbraw/zinc/66/31/07/779663107.db2.gz WVVZFHVFROFZTP-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)COC ZINC001122317194 779663873 /nfs/dbraw/zinc/66/38/73/779663873.db2.gz SPIGBCPJLDDCJW-UHFFFAOYSA-N 0 3 261.322 -1.509 20 0 CAADHN COC[C@H]1COCCN1C(=O)[C@@H]1CNCCN1C ZINC001122343575 779665244 /nfs/dbraw/zinc/66/52/44/779665244.db2.gz UWMUNVRQEVYOOH-QWRGUYRKSA-N 0 3 257.334 -1.236 20 0 CAADHN COCC(=O)NCCNCC(=O)N(C)Cc1cnn(C)c1 ZINC001122331538 779665346 /nfs/dbraw/zinc/66/53/46/779665346.db2.gz WGKBOPCLTCISDT-UHFFFAOYSA-N 0 3 297.359 -1.269 20 0 CAADHN COCCCNC(=O)[C@@H](C)NCCNC(=O)COC ZINC001122338282 779665446 /nfs/dbraw/zinc/66/54/46/779665446.db2.gz XOFXUZBQXDITKN-SNVBAGLBSA-N 0 3 275.349 -1.120 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)COC ZINC001122338060 779665656 /nfs/dbraw/zinc/66/56/56/779665656.db2.gz WDYDRNPKYKMSSR-SSDOTTSWSA-N 0 3 260.294 -1.817 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@@H]1CNCCN1C ZINC001122338345 779665678 /nfs/dbraw/zinc/66/56/78/779665678.db2.gz HGDWEOBVYFQYOT-UTLUCORTSA-N 0 3 255.318 -1.042 20 0 CAADHN CCCCNC(=O)NC(=O)CNCCNC(=O)COC ZINC001122337070 779665736 /nfs/dbraw/zinc/66/57/36/779665736.db2.gz FAFZZNFYDFJOFK-UHFFFAOYSA-N 0 3 288.348 -1.036 20 0 CAADHN COCCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001122393050 779667816 /nfs/dbraw/zinc/66/78/16/779667816.db2.gz BBWXPLBPZWMCCB-QMMMGPOBSA-N 0 3 257.290 -1.466 20 0 CAADHN COCCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001122417525 779667922 /nfs/dbraw/zinc/66/79/22/779667922.db2.gz SFESVXMYICIWKR-UHFFFAOYSA-N 0 3 298.343 -1.674 20 0 CAADHN C[C@@H](NCCNC(=O)C(F)F)C(=O)NC(N)=O ZINC001122424165 779668261 /nfs/dbraw/zinc/66/82/61/779668261.db2.gz KLPXZHXNQZUXLJ-SCSAIBSYSA-N 0 3 252.221 -1.459 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)CCOC ZINC001122393043 779668278 /nfs/dbraw/zinc/66/82/78/779668278.db2.gz ATHXHNFMOKAKAL-UHFFFAOYSA-N 0 3 275.349 -1.119 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C1CCC1 ZINC001122455783 779669666 /nfs/dbraw/zinc/66/96/66/779669666.db2.gz GHHVWRNDPJFZHW-UHFFFAOYSA-N 0 3 256.306 -1.052 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)C1CCOCC1 ZINC001122503400 779670974 /nfs/dbraw/zinc/67/09/74/779670974.db2.gz PNCKLYNWHYLWCV-UHFFFAOYSA-N 0 3 293.389 -1.332 20 0 CAADHN C[C@@H](NCCNC(=O)C1CCOCC1)C(=O)NC(N)=O ZINC001122502651 779671495 /nfs/dbraw/zinc/67/14/95/779671495.db2.gz DEDBZSSTOHGAAM-MRVPVSSYSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001122667790 779673053 /nfs/dbraw/zinc/67/30/53/779673053.db2.gz MILDBORSWDPGKO-UHFFFAOYSA-N 0 3 298.265 -1.493 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)NC1CC1 ZINC001122667999 779673105 /nfs/dbraw/zinc/67/31/05/779673105.db2.gz RLFSPLNMSTXBCC-UHFFFAOYSA-N 0 3 256.306 -1.893 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001122668230 779673398 /nfs/dbraw/zinc/67/33/98/779673398.db2.gz WTCBNWPVDFYGLR-UHFFFAOYSA-N 0 3 272.349 -1.257 20 0 CAADHN C[C@H](NCCNC(=O)c1cccnc1)C(=O)NC(N)=O ZINC001122654887 779673470 /nfs/dbraw/zinc/67/34/70/779673470.db2.gz QFNFUQCDNUOFTH-QMMMGPOBSA-N 0 3 279.300 -1.016 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001122667603 779673787 /nfs/dbraw/zinc/67/37/87/779673787.db2.gz IMGLMVGALCUEAX-UHFFFAOYSA-N 0 3 270.333 -1.551 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001122667413 779673879 /nfs/dbraw/zinc/67/38/79/779673879.db2.gz DWGSDHHKDLOYQX-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN CC(=O)NCC(=O)NCCNCc1ccnn1C ZINC001122667382 779673893 /nfs/dbraw/zinc/67/38/93/779673893.db2.gz CIKSCTBCGDVUEZ-UHFFFAOYSA-N 0 3 253.306 -1.238 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001122680616 779674427 /nfs/dbraw/zinc/67/44/27/779674427.db2.gz WRRFDHNEZDJEMU-QMMMGPOBSA-N 0 3 270.333 -1.505 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001122675506 779674736 /nfs/dbraw/zinc/67/47/36/779674736.db2.gz UHHLUOLIFREMOZ-QMMMGPOBSA-N 0 3 270.289 -2.367 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@@H](C)C(=O)NCC(C)C ZINC001122678766 779674835 /nfs/dbraw/zinc/67/48/35/779674835.db2.gz BCROBIQPKKYNEU-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001122675575 779674915 /nfs/dbraw/zinc/67/49/15/779674915.db2.gz VQODTHPZCYNLBP-SNVBAGLBSA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CNC(C)=O ZINC001122679533 779674937 /nfs/dbraw/zinc/67/49/37/779674937.db2.gz JVOLQKBWGZFUTK-SSDOTTSWSA-N 0 3 287.320 -2.328 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnc(C)cn1 ZINC001122908195 779675535 /nfs/dbraw/zinc/67/55/35/779675535.db2.gz BDTUXMRBYFXYJC-UHFFFAOYSA-N 0 3 251.290 -1.150 20 0 CAADHN C[C@@H]1C[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001122939170 779675640 /nfs/dbraw/zinc/67/56/40/779675640.db2.gz OXJCKBSUKVUDDF-BDAKNGLRSA-N 0 3 263.363 -1.103 20 0 CAADHN Cc1cnc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)cn1 ZINC001122921499 779675648 /nfs/dbraw/zinc/67/56/48/779675648.db2.gz BTMQKYRANIAWPJ-SECBINFHSA-N 0 3 291.311 -1.090 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1cnccn1 ZINC001122828010 779675743 /nfs/dbraw/zinc/67/57/43/779675743.db2.gz WZVAQSSIEZDENW-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cnccn1 ZINC001122840440 779675816 /nfs/dbraw/zinc/67/58/16/779675816.db2.gz MRONFNXDPRZHPF-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN Cc1cnc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)cn1 ZINC001122921500 779675864 /nfs/dbraw/zinc/67/58/64/779675864.db2.gz BTMQKYRANIAWPJ-VIFPVBQESA-N 0 3 291.311 -1.090 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C2=COCCO2)C1=O ZINC001123032047 779676639 /nfs/dbraw/zinc/67/66/39/779676639.db2.gz MEQUYEFUINXNPS-VIFPVBQESA-N 0 3 269.301 -1.189 20 0 CAADHN Cc1cnc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)cn1 ZINC001122945437 779676676 /nfs/dbraw/zinc/67/66/76/779676676.db2.gz CAZRBXHGVFXPLW-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN CCCNC(=O)NC(=O)CNCCNC(=O)COCC ZINC001122966867 779676848 /nfs/dbraw/zinc/67/68/48/779676848.db2.gz WMFVDOUNNXUNSC-UHFFFAOYSA-N 0 3 288.348 -1.036 20 0 CAADHN CCOCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001122977350 779676883 /nfs/dbraw/zinc/67/68/83/779676883.db2.gz DHLFMQANJKEGAE-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C2=COCCO2)C1=O ZINC001123032046 779677020 /nfs/dbraw/zinc/67/70/20/779677020.db2.gz MEQUYEFUINXNPS-SECBINFHSA-N 0 3 269.301 -1.189 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C1=COCCO1 ZINC001123026240 779677036 /nfs/dbraw/zinc/67/70/36/779677036.db2.gz DWJBBKQFEYIGIG-MRVPVSSYSA-N 0 3 257.290 -1.285 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cc[n+]([O-])cc2)C1=O ZINC001123047928 779677860 /nfs/dbraw/zinc/67/78/60/779677860.db2.gz VGUKHOGOGZCEDC-NSHDSACASA-N 0 3 278.312 -1.130 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cc[n+]([O-])cc1 ZINC001123047871 779677868 /nfs/dbraw/zinc/67/78/68/779677868.db2.gz SVNYVRDLTMODQQ-VIFPVBQESA-N 0 3 266.301 -1.226 20 0 CAADHN C[C@H](NCCNC(=O)c1cc[n+]([O-])cc1)C(=O)NC(N)=O ZINC001123048249 779678013 /nfs/dbraw/zinc/67/80/13/779678013.db2.gz ZPEKNPIOCSHZBG-QMMMGPOBSA-N 0 3 295.299 -1.777 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)c1cc[n+]([O-])cc1 ZINC001123040390 779678048 /nfs/dbraw/zinc/67/80/48/779678048.db2.gz NFFJIHVBRJVWEQ-LLVKDONJSA-N 0 3 278.312 -1.082 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccc(=O)[nH]n1)C(N)=O ZINC001123095451 779680630 /nfs/dbraw/zinc/68/06/30/779680630.db2.gz LWZGWSIJWBHZJA-SSDOTTSWSA-N 0 3 267.289 -1.235 20 0 CAADHN CN(CCNCCNC(=O)[C@H]1CCCO1)S(C)(=O)=O ZINC001123118785 779680768 /nfs/dbraw/zinc/68/07/68/779680768.db2.gz SXQKONUTQDNJNO-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCO1 ZINC001123158222 779680858 /nfs/dbraw/zinc/68/08/58/779680858.db2.gz LAWYRHZDKRLMLU-DTWKUNHWSA-N 0 3 286.332 -1.285 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1CCCO1 ZINC001123119309 779680875 /nfs/dbraw/zinc/68/08/75/779680875.db2.gz XEDACRUWURHTNC-DTWKUNHWSA-N 0 3 269.301 -1.324 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCCO1)NC(=O)NC1CC1 ZINC001123151279 779680891 /nfs/dbraw/zinc/68/08/91/779680891.db2.gz KVTULBVDKLWUTC-SNVBAGLBSA-N 0 3 298.343 -1.141 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001123092503 779680908 /nfs/dbraw/zinc/68/09/08/779680908.db2.gz YVOSWMZSNYNAEQ-DTWKUNHWSA-N 0 3 284.360 -1.116 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1ccc(=O)[nH]n1 ZINC001123091976 779681015 /nfs/dbraw/zinc/68/10/15/779681015.db2.gz SSQKJRPLSZITAS-UHFFFAOYSA-N 0 3 281.316 -1.020 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCO1 ZINC001123150812 779681066 /nfs/dbraw/zinc/68/10/66/779681066.db2.gz DVKQMVJRFTWRCH-MRVPVSSYSA-N 0 3 272.305 -1.673 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCO1)C(=O)NC(N)=O ZINC001123157758 779681119 /nfs/dbraw/zinc/68/11/19/779681119.db2.gz HOVDUWSNJXCFOG-JGVFFNPUSA-N 0 3 272.305 -1.545 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)c1ccc(=O)[nH]n1 ZINC001123095024 779681260 /nfs/dbraw/zinc/68/12/60/779681260.db2.gz ANAXTUYSEPEGSO-QMMMGPOBSA-N 0 3 279.300 -1.220 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CNC(N)=O ZINC001123235997 779681622 /nfs/dbraw/zinc/68/16/22/779681622.db2.gz STKAOTGGGOCPMY-UHFFFAOYSA-N 0 3 259.310 -2.115 20 0 CAADHN CC(C)[C@@H](C)NC(=O)CNCCNC(=O)CNC(N)=O ZINC001123234789 779681637 /nfs/dbraw/zinc/68/16/37/779681637.db2.gz AUHDBATXXRFRFS-SECBINFHSA-N 0 3 287.364 -1.479 20 0 CAADHN CSCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001123179285 779681687 /nfs/dbraw/zinc/68/16/87/779681687.db2.gz UMFSWFJRNLMBAV-LURJTMIESA-N 0 3 262.335 -1.361 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CSC ZINC001123179393 779681875 /nfs/dbraw/zinc/68/18/75/779681875.db2.gz WTILTAAYJUPGAO-SSDOTTSWSA-N 0 3 276.362 -1.101 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001123235697 779681968 /nfs/dbraw/zinc/68/19/68/779681968.db2.gz PQOJORPTUOYHCE-UHFFFAOYSA-N 0 3 287.320 -2.781 20 0 CAADHN Cc1nn(C)cc1CNCCNC(=O)CNC(N)=O ZINC001123235105 779682106 /nfs/dbraw/zinc/68/21/06/779682106.db2.gz GWKVNNWVXZNUBN-UHFFFAOYSA-N 0 3 268.321 -1.397 20 0 CAADHN NC(=O)NCC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001123235629 779682251 /nfs/dbraw/zinc/68/22/51/779682251.db2.gz NXMSFERJAVXVDN-UHFFFAOYSA-N 0 3 293.327 -1.340 20 0 CAADHN NC(=O)NCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123235739 779682365 /nfs/dbraw/zinc/68/23/65/779682365.db2.gz QFGVDARWCPZSSJ-ZCFIWIBFSA-N 0 3 271.277 -2.834 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)NC(N)=O ZINC001123235089 779682431 /nfs/dbraw/zinc/68/24/31/779682431.db2.gz FZPONEQROFYONL-UHFFFAOYSA-N 0 3 260.254 -3.445 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CNC(N)=O)C1=O ZINC001123241697 779683053 /nfs/dbraw/zinc/68/30/53/779683053.db2.gz GFWRHMKLXHMAGO-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN C[C@H](NCCNC(=O)CNC(N)=O)C(=O)N(C)C ZINC001123242106 779683282 /nfs/dbraw/zinc/68/32/82/779683282.db2.gz NGRWVCRSSQQLKY-ZETCQYMHSA-N 0 3 259.310 -2.163 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CNC(N)=O)C1=O ZINC001123241725 779683508 /nfs/dbraw/zinc/68/35/08/779683508.db2.gz ICYMRGWVONZVKZ-ZETCQYMHSA-N 0 3 257.294 -2.409 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)CNC(N)=O ZINC001123242454 779683558 /nfs/dbraw/zinc/68/35/58/779683558.db2.gz RKPVPFBTKHRURB-UHFFFAOYSA-N 0 3 295.365 -2.700 20 0 CAADHN CCCC[C@H](NCCNC(=O)CNC(N)=O)C(N)=O ZINC001123241717 779683661 /nfs/dbraw/zinc/68/36/61/779683661.db2.gz HSEBNOLJWRROFR-QMMMGPOBSA-N 0 3 273.337 -1.595 20 0 CAADHN CCCCNC(=O)[C@H](C)NCCNC(=O)CNC(N)=O ZINC001123264174 779684286 /nfs/dbraw/zinc/68/42/86/779684286.db2.gz TVDHVOCOIKXRAV-VIFPVBQESA-N 0 3 287.364 -1.335 20 0 CAADHN Cn1cncc1CNCCNC(=O)CNC(N)=O ZINC001123258143 779684436 /nfs/dbraw/zinc/68/44/36/779684436.db2.gz NBWRBXSEQNFUQB-UHFFFAOYSA-N 0 3 254.294 -1.706 20 0 CAADHN C[C@@H]1CCCCN1C(=O)CNCCNC(=O)CNC(N)=O ZINC001123258826 779684947 /nfs/dbraw/zinc/68/49/47/779684947.db2.gz UVCZQEDPLYTUML-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CNC(N)=O ZINC001123257583 779685003 /nfs/dbraw/zinc/68/50/03/779685003.db2.gz KAQPVZUUXZZKBD-LURJTMIESA-N 0 3 288.308 -2.795 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)CNC(N)=O)C1=O ZINC001123257975 779685013 /nfs/dbraw/zinc/68/50/13/779685013.db2.gz LFAKCRVKVCUTGM-SECBINFHSA-N 0 3 285.348 -1.630 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)N1CCC1 ZINC001123258067 779685058 /nfs/dbraw/zinc/68/50/58/779685058.db2.gz LZBYEJBRXRUSKA-UHFFFAOYSA-N 0 3 257.294 -2.407 20 0 CAADHN C[C@H](NCCNC(=O)CNC(N)=O)C(=O)N1CCCCC1 ZINC001123259050 779685064 /nfs/dbraw/zinc/68/50/64/779685064.db2.gz ZBUDRVDXJGZPSM-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN C[C@H](NCCNC(=O)CNC(N)=O)C(=O)NC(C)(C)C ZINC001123262618 779685103 /nfs/dbraw/zinc/68/51/03/779685103.db2.gz ACKWBYMBHUJTLA-QMMMGPOBSA-N 0 3 287.364 -1.336 20 0 CAADHN CCC(CC)NC(=O)CNCCNC(=O)CNC(N)=O ZINC001123262741 779685125 /nfs/dbraw/zinc/68/51/25/779685125.db2.gz DTXLFJOKKYUYLL-UHFFFAOYSA-N 0 3 287.364 -1.335 20 0 CAADHN Cc1nn(C)cc1CNCCNC(=O)Cn1cnnn1 ZINC001123312818 779685425 /nfs/dbraw/zinc/68/54/25/779685425.db2.gz JLMBGFQKIGPDBA-UHFFFAOYSA-N 0 3 278.320 -1.379 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123304501 779685817 /nfs/dbraw/zinc/68/58/17/779685817.db2.gz JJICALMWZIAHKZ-UHFFFAOYSA-N 0 3 295.347 -1.753 20 0 CAADHN O=C(Cn1cnnn1)NCCN[C@H]1CCCNC1=O ZINC001123312951 779686199 /nfs/dbraw/zinc/68/61/99/779686199.db2.gz KUYILJFHLNVWOC-QMMMGPOBSA-N 0 3 267.293 -2.343 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123312980 779686335 /nfs/dbraw/zinc/68/63/35/779686335.db2.gz MADSMQOCDDZNBZ-UHFFFAOYSA-N 0 3 255.282 -2.485 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123312983 779686357 /nfs/dbraw/zinc/68/63/57/779686357.db2.gz MJEAVVMWSZYXEI-UHFFFAOYSA-N 0 3 299.335 -2.468 20 0 CAADHN O=C(CNCCNC(=O)Cn1cnnn1)NC1CCCC1 ZINC001123312803 779686375 /nfs/dbraw/zinc/68/63/75/779686375.db2.gz IRICIGKUQUTYOW-UHFFFAOYSA-N 0 3 295.347 -1.562 20 0 CAADHN O=C(Cn1cnnn1)NCCNCc1cccnc1 ZINC001123306060 779686400 /nfs/dbraw/zinc/68/64/00/779686400.db2.gz TZZVOSDHWSRGRP-UHFFFAOYSA-N 0 3 261.289 -1.026 20 0 CAADHN O=C(CNCCNC(=O)Cn1cnnn1)NC1CC1 ZINC001123312234 779686413 /nfs/dbraw/zinc/68/64/13/779686413.db2.gz BFKBYTQFAGUGAS-UHFFFAOYSA-N 0 3 267.293 -2.343 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1cnnn1)C(=O)N(C)C ZINC001123327941 779686815 /nfs/dbraw/zinc/68/68/15/779686815.db2.gz YBLABICNWKKNBC-MRVPVSSYSA-N 0 3 269.309 -2.144 20 0 CAADHN O=C(Cn1cnnn1)NCCN[C@H]1CCC(=O)NC1=O ZINC001123313691 779686953 /nfs/dbraw/zinc/68/69/53/779686953.db2.gz VQSPZXGVYUFMCX-ZETCQYMHSA-N 0 3 281.276 -2.816 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)Cn2cnnn2)C1=O ZINC001123323843 779687189 /nfs/dbraw/zinc/68/71/89/779687189.db2.gz VBGVYLPYDPHQRD-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123323241 779687530 /nfs/dbraw/zinc/68/75/30/779687530.db2.gz ONISODINMCTQSN-SSDOTTSWSA-N 0 3 255.282 -2.487 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCCC1=O)C(=O)N(C)C ZINC001123348198 779687859 /nfs/dbraw/zinc/68/78/59/779687859.db2.gz PUGBBEWUZNNXCS-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CCN(CC)C(=O)[C@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335333 779687890 /nfs/dbraw/zinc/68/78/90/779687890.db2.gz NNXNDKONHAICFA-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCCC1=O)C(=O)NC1CC1 ZINC001123347562 779687962 /nfs/dbraw/zinc/68/79/62/779687962.db2.gz CAAPTWZYFQMHFD-SNVBAGLBSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCCC1=O)C(=O)NC1CC1 ZINC001123347560 779688112 /nfs/dbraw/zinc/68/81/12/779688112.db2.gz CAAPTWZYFQMHFD-JTQLQIEISA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CN1CCCC1=O ZINC001123335470 779688126 /nfs/dbraw/zinc/68/81/26/779688126.db2.gz SMBGDAULQQQYJG-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN CS[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001123944308 779699233 /nfs/dbraw/zinc/69/92/33/779699233.db2.gz ROHZOYQQCCKGMT-LURJTMIESA-N 0 3 262.335 -1.361 20 0 CAADHN CCC(CC)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123335519 779688145 /nfs/dbraw/zinc/68/81/45/779688145.db2.gz VRNDKELVTDCZPU-UHFFFAOYSA-N 0 3 297.363 -1.316 20 0 CAADHN C[C@H](NCCNC(=O)Cn1cnnn1)C(=O)NC1CC1 ZINC001123335268 779688160 /nfs/dbraw/zinc/68/81/60/779688160.db2.gz KVBJKUPALILZBL-QMMMGPOBSA-N 0 3 281.320 -1.954 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)CN2CCCC2=O)C1=O ZINC001123341344 779688227 /nfs/dbraw/zinc/68/82/27/779688227.db2.gz GNMYYIYJZSYSME-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)Cn1cnnn1)C1CC1 ZINC001123335414 779688304 /nfs/dbraw/zinc/68/83/04/779688304.db2.gz QFQKVWYGCVFIPD-SECBINFHSA-N 0 3 295.347 -1.706 20 0 CAADHN CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335497 779688329 /nfs/dbraw/zinc/68/83/29/779688329.db2.gz UOXGEUBSSVOMTJ-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN O=C(CN1CCCC1=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123341944 779688416 /nfs/dbraw/zinc/68/84/16/779688416.db2.gz UPIJAMAWZAKNJD-SECBINFHSA-N 0 3 296.327 -1.880 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CN2CCCC2=O)C1=O ZINC001123347847 779688430 /nfs/dbraw/zinc/68/84/30/779688430.db2.gz HQCHYRHFMKZBDM-SNVBAGLBSA-N 0 3 282.344 -1.455 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335638 779688497 /nfs/dbraw/zinc/68/84/97/779688497.db2.gz ZWCHWMVMWAAEOE-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN O=C(CN1CCCC1=O)NCCNCC(=O)N1CCC1 ZINC001123335072 779688520 /nfs/dbraw/zinc/68/85/20/779688520.db2.gz AZZIEDMKAJUWDC-UHFFFAOYSA-N 0 3 282.344 -1.453 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccc[nH]1 ZINC001123445513 779689107 /nfs/dbraw/zinc/68/91/07/779689107.db2.gz XTYKSNOKIOVPIX-UHFFFAOYSA-N 0 3 253.262 -1.471 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)cn1 ZINC001123353549 779689314 /nfs/dbraw/zinc/68/93/14/779689314.db2.gz JWYAUXGJADNMSX-SECBINFHSA-N 0 3 279.300 -1.455 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccc[nH]1 ZINC001123445469 779689382 /nfs/dbraw/zinc/68/93/82/779689382.db2.gz WPRREMVPLXTESQ-UHFFFAOYSA-N 0 3 267.289 -1.210 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnn(C)c1 ZINC001123360383 779689516 /nfs/dbraw/zinc/68/95/16/779689516.db2.gz ZZOBWOLPGAPEGQ-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)N2CCOCC2)cn1 ZINC001123353388 779689628 /nfs/dbraw/zinc/68/96/28/779689628.db2.gz HHDZPGNRGLGMIS-UHFFFAOYSA-N 0 3 295.343 -1.402 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cnn(C)c1 ZINC001123353382 779689681 /nfs/dbraw/zinc/68/96/81/779689681.db2.gz GZKPMXBIXHFUEL-UHFFFAOYSA-N 0 3 253.306 -1.172 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)Cn1cccn1 ZINC001123514542 779689729 /nfs/dbraw/zinc/68/97/29/779689729.db2.gz DAIZMXWGUZMGGE-UHFFFAOYSA-N 0 3 296.331 -1.565 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc[nH]1)C(=O)NC(N)=O ZINC001123459831 779689756 /nfs/dbraw/zinc/68/97/56/779689756.db2.gz WDIWVXYOQUXNNL-SSDOTTSWSA-N 0 3 267.289 -1.083 20 0 CAADHN Cc1cc(C(=O)NCCNCC(=O)NC(N)=O)on1 ZINC001123423973 779689780 /nfs/dbraw/zinc/68/97/80/779689780.db2.gz RFKNSLVBMPYMJB-UHFFFAOYSA-N 0 3 269.261 -1.503 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1cccn1)C(=O)NC(N)=O ZINC001123536138 779690392 /nfs/dbraw/zinc/69/03/92/779690392.db2.gz ZBFPSJPZSKRJKV-MRVPVSSYSA-N 0 3 282.304 -1.828 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cn1cccn1 ZINC001123531896 779690706 /nfs/dbraw/zinc/69/07/06/779690706.db2.gz YIGJNXKMMNOLBA-UHFFFAOYSA-N 0 3 289.361 -1.862 20 0 CAADHN O=C(Cn1cccn1)NCCN[C@H]1CCC(=O)NC1=O ZINC001123527005 779690768 /nfs/dbraw/zinc/69/07/68/779690768.db2.gz SNDMOVQLVKFQSD-VIFPVBQESA-N 0 3 279.300 -1.606 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C)OC ZINC001124298953 779709082 /nfs/dbraw/zinc/70/90/82/779709082.db2.gz ZKMPHXANMHZIFU-JGVFFNPUSA-N 0 3 274.321 -1.429 20 0 CAADHN CO[C@H](C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124287454 779709220 /nfs/dbraw/zinc/70/92/20/779709220.db2.gz CAGXFYXEZALCNF-HTQZYQBOSA-N 0 3 257.290 -1.468 20 0 CAADHN C[C@H](NCCNC(=O)Cn1cccn1)C(=O)NC(N)=O ZINC001123536139 779690871 /nfs/dbraw/zinc/69/08/71/779690871.db2.gz ZBFPSJPZSKRJKV-QMMMGPOBSA-N 0 3 282.304 -1.828 20 0 CAADHN CN1CC[C@H](NCCNC(=O)Cn2cccn2)C1=O ZINC001123531678 779690978 /nfs/dbraw/zinc/69/09/78/779690978.db2.gz UVXSDERZBAETCN-JTQLQIEISA-N 0 3 265.317 -1.180 20 0 CAADHN Cc1c(C(=O)NCCN[C@@H](C)C(N)=O)cnn1C ZINC001123592034 779690991 /nfs/dbraw/zinc/69/09/91/779690991.db2.gz FFYNBZZMYHNLAZ-ZETCQYMHSA-N 0 3 253.306 -1.078 20 0 CAADHN Cc1c(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)cnn1C ZINC001123611727 779691197 /nfs/dbraw/zinc/69/11/97/779691197.db2.gz LIHNBTXTPCKXBS-ZETCQYMHSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@H](NCCNC(=O)c1cccn1C)C(=O)NC(N)=O ZINC001123654621 779691504 /nfs/dbraw/zinc/69/15/04/779691504.db2.gz QIKXDMNWSFKOOF-QMMMGPOBSA-N 0 3 281.316 -1.072 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1cncn1)C(=O)N(C)C ZINC001123676428 779691542 /nfs/dbraw/zinc/69/15/42/779691542.db2.gz NCTGYFROPYNYGC-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN O=C(CCn1cncn1)NCCNCC(=O)NCC1CC1 ZINC001123659380 779691571 /nfs/dbraw/zinc/69/15/71/779691571.db2.gz JCAFUCHQVUSZQU-UHFFFAOYSA-N 0 3 294.359 -1.100 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCn1cncn1 ZINC001123659738 779691796 /nfs/dbraw/zinc/69/17/96/779691796.db2.gz OWIHIHGILPVYBH-UHFFFAOYSA-N 0 3 297.319 -2.170 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CCn1cncn1 ZINC001123659570 779691858 /nfs/dbraw/zinc/69/18/58/779691858.db2.gz MHLRDXYZVBYAGP-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1cncn1)C(N)=O ZINC001123666247 779692294 /nfs/dbraw/zinc/69/22/94/779692294.db2.gz FGQQOFPGGIRGPD-MRVPVSSYSA-N 0 3 254.294 -1.752 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CCn2cncn2)C1=O ZINC001123676674 779692236 /nfs/dbraw/zinc/69/22/36/779692236.db2.gz UITIETJEACSDFL-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CCn2cncn2)C1=O ZINC001123676319 779692246 /nfs/dbraw/zinc/69/22/46/779692246.db2.gz KSWRHFPRULELKZ-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)CNCCNC(=O)CCn1cncn1 ZINC001123659541 779692282 /nfs/dbraw/zinc/69/22/82/779692282.db2.gz LHYPHTDLCOHSJX-UHFFFAOYSA-N 0 3 254.294 -1.880 20 0 CAADHN O=C(CCn1cncn1)NCCN[C@H]1CCCNC1=O ZINC001123671529 779692334 /nfs/dbraw/zinc/69/23/34/779692334.db2.gz SZEPMJFXKUHTGH-JTQLQIEISA-N 0 3 280.332 -1.347 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCn1cccn1 ZINC001123712089 779692341 /nfs/dbraw/zinc/69/23/41/779692341.db2.gz BQKOMAJDXBWTQO-UHFFFAOYSA-N 0 3 296.331 -1.565 20 0 CAADHN CCCOCC(=O)NCCNCC(=O)NC(=O)NC ZINC001124444892 779711574 /nfs/dbraw/zinc/71/15/74/779711574.db2.gz ZOTZNJFUKCFBRD-UHFFFAOYSA-N 0 3 274.321 -1.426 20 0 CAADHN C[C@H](NCCNC(=O)CCn1cccn1)C(N)=O ZINC001123718794 779692648 /nfs/dbraw/zinc/69/26/48/779692648.db2.gz MTRRTHVOHVODQU-VIFPVBQESA-N 0 3 253.306 -1.147 20 0 CAADHN Cc1cccc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001123726175 779692719 /nfs/dbraw/zinc/69/27/19/779692719.db2.gz WFBCFUDNGOYZCZ-UHFFFAOYSA-N 0 3 279.300 -1.096 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1COCCO1 ZINC001123869661 779695337 /nfs/dbraw/zinc/69/53/37/779695337.db2.gz KHSZGYPIDZHBMF-BDAKNGLRSA-N 0 3 285.300 -2.087 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1COCCO1 ZINC001123870014 779695436 /nfs/dbraw/zinc/69/54/36/779695436.db2.gz MSOAYLVPHFHDLU-SECBINFHSA-N 0 3 259.306 -1.804 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@@H]1COCCO1 ZINC001123869908 779695500 /nfs/dbraw/zinc/69/55/00/779695500.db2.gz LIGIZLGMSBZLRD-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCOC(C)C ZINC001123834853 779695617 /nfs/dbraw/zinc/69/56/17/779695617.db2.gz LIFHHQYFKVVWBR-UHFFFAOYSA-N 0 3 288.348 -1.037 20 0 CAADHN CCc1cc(C(=O)NCCNCC(=O)NC(=O)NC)[nH]n1 ZINC001123857264 779695631 /nfs/dbraw/zinc/69/56/31/779695631.db2.gz RRGQXJGLBNZHEY-UHFFFAOYSA-N 0 3 296.331 -1.253 20 0 CAADHN CCc1cc(C(=O)NCCNCC(=O)NC(N)=O)[nH]n1 ZINC001123857486 779695635 /nfs/dbraw/zinc/69/56/35/779695635.db2.gz YDRLGDVPAYGVIG-UHFFFAOYSA-N 0 3 282.304 -1.514 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1COCCO1)C1CC1 ZINC001123868861 779695655 /nfs/dbraw/zinc/69/56/55/779695655.db2.gz CTEXKHKEFLEREI-LLVKDONJSA-N 0 3 285.344 -1.272 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1COCCO1)NCC1CC1 ZINC001123868989 779695700 /nfs/dbraw/zinc/69/57/00/779695700.db2.gz FNLNKUDVYKXRMK-NSHDSACASA-N 0 3 285.344 -1.366 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1COCCO1 ZINC001123870371 779695709 /nfs/dbraw/zinc/69/57/09/779695709.db2.gz RJFUCFHJDQBMBE-UWVGGRQHSA-N 0 3 271.317 -1.614 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@H]1COCCO1 ZINC001123870372 779695737 /nfs/dbraw/zinc/69/57/37/779695737.db2.gz RJFUCFHJDQBMBE-VHSXEESVSA-N 0 3 271.317 -1.614 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1COCCO1 ZINC001123868578 779695782 /nfs/dbraw/zinc/69/57/82/779695782.db2.gz AXBSNQYEQJBLMH-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1COCCO1 ZINC001123870017 779695801 /nfs/dbraw/zinc/69/58/01/779695801.db2.gz MSUMVTSBGYCCIN-NSHDSACASA-N 0 3 287.360 -1.026 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@@H]1COCCO1 ZINC001123870373 779695839 /nfs/dbraw/zinc/69/58/39/779695839.db2.gz RJFUCFHJDQBMBE-ZJUUUORDSA-N 0 3 271.317 -1.614 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1COCCO1 ZINC001123877695 779696492 /nfs/dbraw/zinc/69/64/92/779696492.db2.gz USICVFHGAVVUAJ-IUCAKERBSA-N 0 3 259.306 -1.758 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1COCCO1 ZINC001123870617 779696508 /nfs/dbraw/zinc/69/65/08/779696508.db2.gz YAJJFBRWXQOTAY-ZETCQYMHSA-N 0 3 274.277 -2.698 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1COCCO1 ZINC001123870416 779696562 /nfs/dbraw/zinc/69/65/62/779696562.db2.gz SRAIVXNUPRKMRN-RKDXNWHRSA-N 0 3 257.290 -2.004 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1COCCO1)C(N)=O ZINC001123883125 779696857 /nfs/dbraw/zinc/69/68/57/779696857.db2.gz INQQIBIYUHNFTE-DTWKUNHWSA-N 0 3 259.306 -1.629 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2COCCO2)C1=O ZINC001123883988 779696907 /nfs/dbraw/zinc/69/69/07/779696907.db2.gz SRAHEMIZFDXDAE-NXEZZACHSA-N 0 3 271.317 -1.662 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@H](C)C(N)=O ZINC001124728137 779716781 /nfs/dbraw/zinc/71/67/81/779716781.db2.gz YPQSAPQQKJIWJC-MRVPVSSYSA-N 0 3 258.322 -1.518 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1COCCO1)C(N)=O ZINC001123883124 779697155 /nfs/dbraw/zinc/69/71/55/779697155.db2.gz INQQIBIYUHNFTE-BDAKNGLRSA-N 0 3 259.306 -1.629 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1COCCO1 ZINC001123870413 779697164 /nfs/dbraw/zinc/69/71/64/779697164.db2.gz SRAIVXNUPRKMRN-BDAKNGLRSA-N 0 3 257.290 -2.004 20 0 CAADHN CCc1cc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)[nH]n1 ZINC001123870618 779697264 /nfs/dbraw/zinc/69/72/64/779697264.db2.gz YAWHZLIQXFIFMG-SSDOTTSWSA-N 0 3 296.331 -1.125 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1COCCO1 ZINC001123877696 779697276 /nfs/dbraw/zinc/69/72/76/779697276.db2.gz USICVFHGAVVUAJ-RKDXNWHRSA-N 0 3 259.306 -1.758 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2COCCO2)C1=O ZINC001123877125 779697327 /nfs/dbraw/zinc/69/73/27/779697327.db2.gz PKIUFFWWHLSCKW-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2COCCO2)C1=O ZINC001123883989 779697344 /nfs/dbraw/zinc/69/73/44/779697344.db2.gz SRAHEMIZFDXDAE-UWVGGRQHSA-N 0 3 271.317 -1.662 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)c1ccn[nH]1 ZINC001123904065 779697885 /nfs/dbraw/zinc/69/78/85/779697885.db2.gz LFMPKCKJAJJYMB-UHFFFAOYSA-N 0 3 289.361 -1.332 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccn[nH]1 ZINC001123890716 779697734 /nfs/dbraw/zinc/69/77/34/779697734.db2.gz AXZOXLNTDPQCFX-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](NCCNC(=O)c1ccn[nH]1)C(=O)NC(N)=O ZINC001123912235 779697773 /nfs/dbraw/zinc/69/77/73/779697773.db2.gz VMJMRQFEWFMSQV-LURJTMIESA-N 0 3 268.277 -1.688 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1COCCO1)C(=O)NC(N)=O ZINC001123891699 779698113 /nfs/dbraw/zinc/69/81/13/779698113.db2.gz RNHLTQTWIDLTMB-JGVFFNPUSA-N 0 3 288.304 -2.309 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1COCCO1)C(=O)NC1CC1 ZINC001123890748 779698139 /nfs/dbraw/zinc/69/81/39/779698139.db2.gz BMPYOZWBEFEUBC-GXSJLCMTSA-N 0 3 285.344 -1.225 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1COCCO1)C(=O)NC(N)=O ZINC001123891698 779698254 /nfs/dbraw/zinc/69/82/54/779698254.db2.gz RNHLTQTWIDLTMB-HTQZYQBOSA-N 0 3 288.304 -2.309 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1ccn[nH]1 ZINC001123897760 779698336 /nfs/dbraw/zinc/69/83/36/779698336.db2.gz NMMHKPIZTSPQLR-SSDOTTSWSA-N 0 3 265.273 -1.466 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1ccn[nH]1 ZINC001123892285 779698353 /nfs/dbraw/zinc/69/83/53/779698353.db2.gz XDWRYWSXJBSMNK-UHFFFAOYSA-N 0 3 283.332 -1.118 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2ccn[nH]2)C1=O ZINC001123904130 779698523 /nfs/dbraw/zinc/69/85/23/779698523.db2.gz NXYNCARWRRLEBH-VIFPVBQESA-N 0 3 251.290 -1.040 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1COCCO1)C(=O)NC1CC1 ZINC001123890749 779698646 /nfs/dbraw/zinc/69/86/46/779698646.db2.gz BMPYOZWBEFEUBC-KOLCDFICSA-N 0 3 285.344 -1.225 20 0 CAADHN C[C@@H]1CN(C(=O)CNCCNC(=O)c2ccn[nH]2)CCO1 ZINC001123904253 779698691 /nfs/dbraw/zinc/69/86/91/779698691.db2.gz VVJMBIAOMNTMHD-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)n1cccn1 ZINC001123932300 779699559 /nfs/dbraw/zinc/69/95/59/779699559.db2.gz ZDIAFUFHFNJZTD-DTWKUNHWSA-N 0 3 296.331 -1.267 20 0 CAADHN CCO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001123975497 779699684 /nfs/dbraw/zinc/69/96/84/779699684.db2.gz YPJSTBQSJSWDQX-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)n1cccn1)C(=O)NC(N)=O ZINC001123932302 779699697 /nfs/dbraw/zinc/69/96/97/779699697.db2.gz ZDIAFUFHFNJZTD-IUCAKERBSA-N 0 3 296.331 -1.267 20 0 CAADHN C[C@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)n1cccn1 ZINC001123919366 779699705 /nfs/dbraw/zinc/69/97/05/779699705.db2.gz WEXQACQTABTMSZ-ZJUUUORDSA-N 0 3 293.327 -1.045 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cn[nH]c1 ZINC001124078799 779701492 /nfs/dbraw/zinc/70/14/92/779701492.db2.gz VPHPNEOVCPIHAM-ZETCQYMHSA-N 0 3 282.304 -1.427 20 0 CAADHN COCCCC(=O)NCCNCC(=O)NC(N)=O ZINC001124073373 779701836 /nfs/dbraw/zinc/70/18/36/779701836.db2.gz USTIDDVVTHWWGA-UHFFFAOYSA-N 0 3 260.294 -1.686 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCCO1 ZINC001124041580 779702056 /nfs/dbraw/zinc/70/20/56/779702056.db2.gz AXFQEDFBNGEOPW-VIFPVBQESA-N 0 3 286.332 -1.283 20 0 CAADHN C[C@H](NCCNC(=O)COCC1CC1)C(=O)NC(N)=O ZINC001124034331 779702140 /nfs/dbraw/zinc/70/21/40/779702140.db2.gz XOBGTCCFHVHAGU-QMMMGPOBSA-N 0 3 286.332 -1.298 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCN[C@@H](CC)C(N)=O ZINC001149100879 779702295 /nfs/dbraw/zinc/70/22/95/779702295.db2.gz XAZABQRKXAVHOH-DTWKUNHWSA-N 0 3 287.364 -1.207 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cn[nH]c1 ZINC001124055612 779702323 /nfs/dbraw/zinc/70/23/23/779702323.db2.gz IIWDEWYWUXNMFS-UHFFFAOYSA-N 0 3 282.304 -1.425 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cn[nH]c1 ZINC001124078798 779702406 /nfs/dbraw/zinc/70/24/06/779702406.db2.gz VPHPNEOVCPIHAM-SSDOTTSWSA-N 0 3 282.304 -1.427 20 0 CAADHN O=C(CNC(=O)C1CC1)NCCN[C@H]1CCC(=O)NC1=O ZINC001124101334 779703037 /nfs/dbraw/zinc/70/30/37/779703037.db2.gz IEDMLOFSFQFEFC-VIFPVBQESA-N 0 3 296.327 -1.976 20 0 CAADHN O=C(CNC(=O)C1CC1)NCCN[C@H]1CCCNC1=O ZINC001124101437 779703175 /nfs/dbraw/zinc/70/31/75/779703175.db2.gz MBJGTBWRYYUXRY-JTQLQIEISA-N 0 3 282.344 -1.503 20 0 CAADHN O=C(CNC(=O)C1CC1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124101333 779703247 /nfs/dbraw/zinc/70/32/47/779703247.db2.gz IEDMLOFSFQFEFC-SECBINFHSA-N 0 3 296.327 -1.976 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CNC(=O)C1CC1 ZINC001124108100 779703277 /nfs/dbraw/zinc/70/32/77/779703277.db2.gz SRRPVWGFHLWDCU-QMMMGPOBSA-N 0 3 270.333 -1.647 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CNC(=O)C2CC2)C1=O ZINC001124108013 779703404 /nfs/dbraw/zinc/70/34/04/779703404.db2.gz OLLPXLYZLXFXAU-JTQLQIEISA-N 0 3 282.344 -1.551 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CNC(=O)C2CC2)C1=O ZINC001124108014 779703512 /nfs/dbraw/zinc/70/35/12/779703512.db2.gz OLLPXLYZLXFXAU-SNVBAGLBSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)C1CC1)C(=O)N(C)C ZINC001124107945 779703621 /nfs/dbraw/zinc/70/36/21/779703621.db2.gz LLFNIFFLDHYFPO-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNC(=O)C1CC1 ZINC001124088592 779703780 /nfs/dbraw/zinc/70/37/80/779703780.db2.gz GGQFWLLJZNCCSJ-UHFFFAOYSA-N 0 3 270.333 -1.646 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cnsn1 ZINC001124154490 779704359 /nfs/dbraw/zinc/70/43/59/779704359.db2.gz LMUDSLCDMKLQGJ-ZCFIWIBFSA-N 0 3 255.303 -1.254 20 0 CAADHN Cc1ncncc1C(=O)NCCN[C@@H](C)C(N)=O ZINC001124119791 779704646 /nfs/dbraw/zinc/70/46/46/779704646.db2.gz QANAMMRFAJITCA-QMMMGPOBSA-N 0 3 251.290 -1.022 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1cnsn1 ZINC001124167595 779704681 /nfs/dbraw/zinc/70/46/81/779704681.db2.gz CKLHNWKSQZKATL-UHFFFAOYSA-N 0 3 293.374 -1.593 20 0 CAADHN CCO[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001124146252 779704757 /nfs/dbraw/zinc/70/47/57/779704757.db2.gz BWPXORMJMSEFTR-JGVFFNPUSA-N 0 3 272.305 -1.688 20 0 CAADHN Cc1ncncc1C(=O)NCCN[C@H]1CCNC1=O ZINC001124119510 779704786 /nfs/dbraw/zinc/70/47/86/779704786.db2.gz MZVUSIWVNZJWIH-JTQLQIEISA-N 0 3 263.301 -1.007 20 0 CAADHN Cc1ncncc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124119971 779704800 /nfs/dbraw/zinc/70/48/00/779704800.db2.gz UUFUDYUWNLXLFU-SNVBAGLBSA-N 0 3 291.311 -1.090 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cnns1 ZINC001124164408 779704827 /nfs/dbraw/zinc/70/48/27/779704827.db2.gz WZANYZCFUCLMOG-UHFFFAOYSA-N 0 3 272.290 -1.948 20 0 CAADHN CCO[C@H]1C[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC ZINC001124150317 779704862 /nfs/dbraw/zinc/70/48/62/779704862.db2.gz ZQOLGUVYQFJVJQ-IUCAKERBSA-N 0 3 286.332 -1.427 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnns1 ZINC001124163132 779704875 /nfs/dbraw/zinc/70/48/75/779704875.db2.gz IETZDFLNZOWHMI-UHFFFAOYSA-N 0 3 257.319 -1.006 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cnsn1 ZINC001124154679 779705006 /nfs/dbraw/zinc/70/50/06/779705006.db2.gz OAPOEVNFZQUCCP-UHFFFAOYSA-N 0 3 272.290 -1.948 20 0 CAADHN Cc1ncncc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124125375 779705018 /nfs/dbraw/zinc/70/50/18/779705018.db2.gz ONCXATYSHWIJMQ-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN CCO[C@H]1C[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001124150302 779705088 /nfs/dbraw/zinc/70/50/88/779705088.db2.gz ZIZMRGCJLZOVQU-ZJUUUORDSA-N 0 3 293.389 -1.334 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnsn1)C(=O)NC(N)=O ZINC001124172206 779705097 /nfs/dbraw/zinc/70/50/97/779705097.db2.gz HSUILNLCPACMPF-RXMQYKEDSA-N 0 3 286.317 -1.559 20 0 CAADHN CCO[C@@H]1C[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001124150301 779705196 /nfs/dbraw/zinc/70/51/96/779705196.db2.gz ZIZMRGCJLZOVQU-VHSXEESVSA-N 0 3 293.389 -1.334 20 0 CAADHN Cc1cnn(CC(=O)NCCN[C@H]2CCNC2=O)c1 ZINC001124287462 779708566 /nfs/dbraw/zinc/70/85/66/779708566.db2.gz CDMJUADJJLTXTF-JTQLQIEISA-N 0 3 265.317 -1.214 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)OC ZINC001124298951 779708639 /nfs/dbraw/zinc/70/86/39/779708639.db2.gz ZKMPHXANMHZIFU-HTQZYQBOSA-N 0 3 274.321 -1.429 20 0 CAADHN CCCC(=O)NCC(=O)NCCNCC(=O)NC(N)=O ZINC001124305065 779708650 /nfs/dbraw/zinc/70/86/50/779708650.db2.gz HFRVRQWLCKFXJV-UHFFFAOYSA-N 0 3 287.320 -2.197 20 0 CAADHN CO[C@H](C)C(=O)NCCNCC(=O)N1CCOCC1 ZINC001124273485 779708683 /nfs/dbraw/zinc/70/86/83/779708683.db2.gz PBMPYOGYUBOFHC-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001124311152 779708766 /nfs/dbraw/zinc/70/87/66/779708766.db2.gz MNJIVGVSVNRWGT-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)nn1C ZINC001124298041 779708854 /nfs/dbraw/zinc/70/88/54/779708854.db2.gz NXYDKKVNLCUQMM-SECBINFHSA-N 0 3 293.327 -1.147 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCC(O)CC1 ZINC001161176478 779726769 /nfs/dbraw/zinc/72/67/69/779726769.db2.gz PZWCAMQIBLQDCT-SECBINFHSA-N 0 3 258.322 -1.255 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cn1cc(C)cn1 ZINC001124287699 779709249 /nfs/dbraw/zinc/70/92/49/779709249.db2.gz JAEDJVHHCWBUBM-UHFFFAOYSA-N 0 3 296.331 -1.647 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@H](C)C(=O)NC ZINC001124311151 779709262 /nfs/dbraw/zinc/70/92/62/779709262.db2.gz MNJIVGVSVNRWGT-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN Cc1cnn(CC(=O)NCCN[C@@H](C)C(N)=O)c1 ZINC001124287636 779709295 /nfs/dbraw/zinc/70/92/95/779709295.db2.gz HAKRLLWGCYYJGM-VIFPVBQESA-N 0 3 253.306 -1.229 20 0 CAADHN CO[C@@H](C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124287455 779709303 /nfs/dbraw/zinc/70/93/03/779709303.db2.gz CAGXFYXEZALCNF-JGVFFNPUSA-N 0 3 257.290 -1.468 20 0 CAADHN CCCC(=O)NCC(=O)NCCNCC(=O)NC ZINC001124310581 779709357 /nfs/dbraw/zinc/70/93/57/779709357.db2.gz DMNMEZPYUNWVKP-UHFFFAOYSA-N 0 3 258.322 -1.646 20 0 CAADHN CO[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124296796 779709419 /nfs/dbraw/zinc/70/94/19/779709419.db2.gz ALBNUGRLYVLNFX-NKWVEPMBSA-N 0 3 260.294 -1.690 20 0 CAADHN CO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124296795 779709502 /nfs/dbraw/zinc/70/95/02/779709502.db2.gz ALBNUGRLYVLNFX-BQBZGAKWSA-N 0 3 260.294 -1.690 20 0 CAADHN CC[C@@H](NCCNC(=O)CS(C)(=O)=O)C(N)=O ZINC001124367617 779710081 /nfs/dbraw/zinc/71/00/81/779710081.db2.gz YTXJEPHRGRJYIM-SSDOTTSWSA-N 0 3 265.335 -1.999 20 0 CAADHN Cc1ocnc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124371100 779710265 /nfs/dbraw/zinc/71/02/65/779710265.db2.gz CJGXDCZPTKLHRY-ZCFIWIBFSA-N 0 3 283.288 -1.114 20 0 CAADHN CCCC[C@H](NCCNC(=O)CS(C)(=O)=O)C(N)=O ZINC001124367292 779710463 /nfs/dbraw/zinc/71/04/63/779710463.db2.gz UGCQLGDGIUXVLD-VIFPVBQESA-N 0 3 293.389 -1.219 20 0 CAADHN C[C@@H](NCCNC(=O)CS(C)(=O)=O)C(=O)N(C)C ZINC001124366004 779710666 /nfs/dbraw/zinc/71/06/66/779710666.db2.gz DDCIPHAJJXARSQ-MRVPVSSYSA-N 0 3 279.362 -1.787 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)CS(C)(=O)=O)C1=O ZINC001124362530 779710709 /nfs/dbraw/zinc/71/07/09/779710709.db2.gz NPVSMLWRYFBPRE-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN CS(=O)(=O)CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001124362880 779710888 /nfs/dbraw/zinc/71/08/88/779710888.db2.gz RVAGFKXFPRXCPR-MRVPVSSYSA-N 0 3 277.346 -1.985 20 0 CAADHN CC(C)OCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124443934 779711446 /nfs/dbraw/zinc/71/14/46/779711446.db2.gz ACGSTKKMCVQFRR-MRVPVSSYSA-N 0 3 274.321 -1.299 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCOC1)N1CCOCC1 ZINC001124502896 779711594 /nfs/dbraw/zinc/71/15/94/779711594.db2.gz ULLBHRPJRRLWSD-LLVKDONJSA-N 0 3 285.344 -1.413 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCOC1)N1CCC1 ZINC001124493584 779711620 /nfs/dbraw/zinc/71/16/20/779711620.db2.gz AKSVJGXHJCEWAV-SNVBAGLBSA-N 0 3 255.318 -1.039 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)[C@H]1CCOC1 ZINC001124494585 779711634 /nfs/dbraw/zinc/71/16/34/779711634.db2.gz JBRHOMMTVXTFEN-NSHDSACASA-N 0 3 287.360 -1.119 20 0 CAADHN CCCOCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124450199 779711651 /nfs/dbraw/zinc/71/16/51/779711651.db2.gz RBLKGZTZCNBBCZ-VIFPVBQESA-N 0 3 271.317 -1.076 20 0 CAADHN CCCOCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001124444468 779711750 /nfs/dbraw/zinc/71/17/50/779711750.db2.gz PVZJGWPHNMDVIY-UHFFFAOYSA-N 0 3 287.360 -1.022 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCOC1)C(=O)NC(N)=O ZINC001124514158 779711789 /nfs/dbraw/zinc/71/17/89/779711789.db2.gz GPTPQRCJPNQMJN-YUMQZZPRSA-N 0 3 272.305 -1.688 20 0 CAADHN CCCOCC(=O)NCCNCC(=O)NC(N)=O ZINC001124443990 779711799 /nfs/dbraw/zinc/71/17/99/779711799.db2.gz CSGIVHCGNFKVSU-UHFFFAOYSA-N 0 3 260.294 -1.686 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccnc(F)c1 ZINC001124526720 779711857 /nfs/dbraw/zinc/71/18/57/779711857.db2.gz OOHHUQNEDHJTGH-UHFFFAOYSA-N 0 3 283.263 -1.265 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCOC1 ZINC001124508233 779711883 /nfs/dbraw/zinc/71/18/83/779711883.db2.gz CUIDZQOOGXCCMQ-RKDXNWHRSA-N 0 3 286.332 -1.427 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1CCOC1 ZINC001124500702 779711907 /nfs/dbraw/zinc/71/19/07/779711907.db2.gz CXZXNTGSGZWLAS-DTWKUNHWSA-N 0 3 269.301 -1.466 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCOC1)N1CCC1 ZINC001124493583 779711985 /nfs/dbraw/zinc/71/19/85/779711985.db2.gz AKSVJGXHJCEWAV-JTQLQIEISA-N 0 3 255.318 -1.039 20 0 CAADHN CCCOCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124454675 779712001 /nfs/dbraw/zinc/71/20/01/779712001.db2.gz KCGUSYJOAYVINB-QMMMGPOBSA-N 0 3 274.321 -1.298 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCOC2)C1=O ZINC001124509128 779712021 /nfs/dbraw/zinc/71/20/21/779712021.db2.gz LYBZLVJQMVLHMN-UWVGGRQHSA-N 0 3 255.318 -1.041 20 0 CAADHN CCO[C@@H](CC)C(=O)NCCNCC(=O)NC(N)=O ZINC001124392213 779712054 /nfs/dbraw/zinc/71/20/54/779712054.db2.gz GTKLSEOQAQFMNM-QMMMGPOBSA-N 0 3 274.321 -1.298 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCOC1)C(=O)NC(N)=O ZINC001124514156 779712121 /nfs/dbraw/zinc/71/21/21/779712121.db2.gz GPTPQRCJPNQMJN-JGVFFNPUSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCOC1 ZINC001124508231 779712170 /nfs/dbraw/zinc/71/21/70/779712170.db2.gz CUIDZQOOGXCCMQ-DTWKUNHWSA-N 0 3 286.332 -1.427 20 0 CAADHN CCCOCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001124454255 779712207 /nfs/dbraw/zinc/71/22/07/779712207.db2.gz GBEXHRNYVMFRQJ-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)COC(C)C ZINC001124431968 779712255 /nfs/dbraw/zinc/71/22/55/779712255.db2.gz FARLEZQFYHGZLF-UHFFFAOYSA-N 0 3 288.348 -1.037 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)COC(C)C ZINC001124444295 779712275 /nfs/dbraw/zinc/71/22/75/779712275.db2.gz JAWGCEYDPBITGI-SECBINFHSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCOC1 ZINC001124508232 779712325 /nfs/dbraw/zinc/71/23/25/779712325.db2.gz CUIDZQOOGXCCMQ-IUCAKERBSA-N 0 3 286.332 -1.427 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCOC1 ZINC001124508230 779712380 /nfs/dbraw/zinc/71/23/80/779712380.db2.gz CUIDZQOOGXCCMQ-BDAKNGLRSA-N 0 3 286.332 -1.427 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CC(F)(F)F ZINC001124407756 779712518 /nfs/dbraw/zinc/71/25/18/779712518.db2.gz NSTKZXVVJOJUHQ-UHFFFAOYSA-N 0 3 270.211 -1.161 20 0 CAADHN COCCCCC(=O)NCCNCC(=O)NC(N)=O ZINC001124572689 779713114 /nfs/dbraw/zinc/71/31/14/779713114.db2.gz FYOQHJYNNXBQMT-UHFFFAOYSA-N 0 3 274.321 -1.296 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C1=COCCC1 ZINC001124656354 779713130 /nfs/dbraw/zinc/71/31/30/779713130.db2.gz PLKCJMJVNAHZCK-UHFFFAOYSA-N 0 3 284.316 -1.158 20 0 CAADHN CO[C@@H](C)CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124606065 779713146 /nfs/dbraw/zinc/71/31/46/779713146.db2.gz AREDXXIQQHGRFF-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccnn1C ZINC001124561676 779713241 /nfs/dbraw/zinc/71/32/41/779713241.db2.gz ONXXEJHXJZCOIY-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CO[C@H](C)CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001124594847 779713369 /nfs/dbraw/zinc/71/33/69/779713369.db2.gz NQSCCUCJAGKDGM-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001124661576 779713488 /nfs/dbraw/zinc/71/34/88/779713488.db2.gz FEVXPAZKSXLPJB-SFYZADRCSA-N 0 3 257.290 -1.753 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cc1cnn(C)c1 ZINC001124626746 779713520 /nfs/dbraw/zinc/71/35/20/779713520.db2.gz LIZSEEGELBALKY-VIFPVBQESA-N 0 3 267.333 -1.197 20 0 CAADHN COC(=O)[C@H]1C[C@H]1C(=O)NCCNCC(=O)N(C)C ZINC001124661320 779713721 /nfs/dbraw/zinc/71/37/21/779713721.db2.gz DBWHGKHLQQFOPX-BDAKNGLRSA-N 0 3 271.317 -1.411 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1cnn(C)c1)C(=O)NC(N)=O ZINC001124626860 779713814 /nfs/dbraw/zinc/71/38/14/779713814.db2.gz PEDZURBVEKRHCI-MRVPVSSYSA-N 0 3 296.331 -1.748 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cc1cnn(C)c1 ZINC001124626745 779714021 /nfs/dbraw/zinc/71/40/21/779714021.db2.gz LIZSEEGELBALKY-SECBINFHSA-N 0 3 267.333 -1.197 20 0 CAADHN CC[C@H](NCCNC(=O)Cc1cnn(C)c1)C(N)=O ZINC001124627014 779714073 /nfs/dbraw/zinc/71/40/73/779714073.db2.gz WSYOJEUZLJSOIB-JTQLQIEISA-N 0 3 267.333 -1.068 20 0 CAADHN CO[C@@H](C)CC(=O)NCCNCC(=O)NC(N)=O ZINC001124594561 779714091 /nfs/dbraw/zinc/71/40/91/779714091.db2.gz KZYDJKREIJVAEW-ZETCQYMHSA-N 0 3 260.294 -1.688 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C[C@@H](C)OC ZINC001124594469 779714318 /nfs/dbraw/zinc/71/43/18/779714318.db2.gz JUPGDWDUAOJKSC-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN C[C@H](NCCNC(=O)Cc1cnn(C)c1)C(=O)NC(N)=O ZINC001124626861 779714344 /nfs/dbraw/zinc/71/43/44/779714344.db2.gz PEDZURBVEKRHCI-QMMMGPOBSA-N 0 3 296.331 -1.748 20 0 CAADHN COC(=O)[C@H]1C[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001124664796 779714675 /nfs/dbraw/zinc/71/46/75/779714675.db2.gz ZVEYYTGMYUXKET-UWVGGRQHSA-N 0 3 283.328 -1.266 20 0 CAADHN COC(=O)[C@H]1C[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001124664798 779714721 /nfs/dbraw/zinc/71/47/21/779714721.db2.gz ZVEYYTGMYUXKET-ZJUUUORDSA-N 0 3 283.328 -1.266 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001124664580 779714766 /nfs/dbraw/zinc/71/47/66/779714766.db2.gz XPDZGBUQCFHGLC-ZJUUUORDSA-N 0 3 285.344 -1.020 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCOC1 ZINC001124687009 779714815 /nfs/dbraw/zinc/71/48/15/779714815.db2.gz RUYRIUIOHYHFDS-VIFPVBQESA-N 0 3 286.332 -1.426 20 0 CAADHN CCOCCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001124692014 779715057 /nfs/dbraw/zinc/71/50/57/779715057.db2.gz ZATLAGBDYJORIF-UHFFFAOYSA-N 0 3 287.360 -1.022 20 0 CAADHN C[C@@H](NCCNC(=O)C1=COCCC1)C(=O)NC(N)=O ZINC001124674447 779715085 /nfs/dbraw/zinc/71/50/85/779715085.db2.gz HQKFOHIOQOWOPM-MRVPVSSYSA-N 0 3 284.316 -1.030 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCOC1 ZINC001124687008 779715112 /nfs/dbraw/zinc/71/51/12/779715112.db2.gz RUYRIUIOHYHFDS-SECBINFHSA-N 0 3 286.332 -1.426 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)CCOCC ZINC001124690275 779715192 /nfs/dbraw/zinc/71/51/92/779715192.db2.gz BCMRNRCCTLRCNF-UHFFFAOYSA-N 0 3 288.348 -1.036 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124727733 779715845 /nfs/dbraw/zinc/71/58/45/779715845.db2.gz SPSBCQVSMCJUBF-SECBINFHSA-N 0 3 298.343 -1.586 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1cocn1 ZINC001124799384 779715895 /nfs/dbraw/zinc/71/58/95/779715895.db2.gz VIBRRQKHURSVFD-UHFFFAOYSA-N 0 3 276.318 -1.457 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCC(=O)N1)N1CCC1 ZINC001124804754 779715951 /nfs/dbraw/zinc/71/59/51/779715951.db2.gz IXVZVXXICNOBBI-SECBINFHSA-N 0 3 268.317 -1.797 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)COC ZINC001124749199 779716116 /nfs/dbraw/zinc/71/61/16/779716116.db2.gz REHDOKKASHXABE-SECBINFHSA-N 0 3 288.348 -1.180 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)COC ZINC001124749200 779716184 /nfs/dbraw/zinc/71/61/84/779716184.db2.gz REHDOKKASHXABE-VIFPVBQESA-N 0 3 288.348 -1.180 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cocn1 ZINC001124788015 779716248 /nfs/dbraw/zinc/71/62/48/779716248.db2.gz XZNOHRHIFOPORL-UHFFFAOYSA-N 0 3 269.261 -1.550 20 0 CAADHN CCNC(=O)CCC(=O)NCCNCC(=O)NC ZINC001124726583 779716360 /nfs/dbraw/zinc/71/63/60/779716360.db2.gz GZWSWAJDPYAFCI-UHFFFAOYSA-N 0 3 258.322 -1.646 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cocn1 ZINC001124793061 779716373 /nfs/dbraw/zinc/71/63/73/779716373.db2.gz KVLMFSAJGJMIIO-SSDOTTSWSA-N 0 3 266.257 -1.201 20 0 CAADHN CCNC(=O)CCC(=O)NCCNCC(=O)NC(N)=O ZINC001124726537 779716384 /nfs/dbraw/zinc/71/63/84/779716384.db2.gz FAOHGSWXFFBBDE-UHFFFAOYSA-N 0 3 287.320 -2.197 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](C)COC ZINC001124752881 779716554 /nfs/dbraw/zinc/71/65/54/779716554.db2.gz CJJDGHZPYGFAHR-MRVPVSSYSA-N 0 3 274.321 -1.570 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@H]1CCCNC1=O ZINC001124727797 779716631 /nfs/dbraw/zinc/71/66/31/779716631.db2.gz WCPHUQOESKGRJI-JTQLQIEISA-N 0 3 284.360 -1.113 20 0 CAADHN CCNC(=O)CCC(=O)NCCNCC(=O)N1CCC1 ZINC001124726800 779716887 /nfs/dbraw/zinc/71/68/87/779716887.db2.gz JOLKCVPBWYIIHB-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124818260 779717410 /nfs/dbraw/zinc/71/74/10/779717410.db2.gz AFBUTVBVRJGQFF-MRVPVSSYSA-N 0 3 292.361 -2.480 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnc(C)[nH]1 ZINC001124825121 779717501 /nfs/dbraw/zinc/71/75/01/779717501.db2.gz KRGHFMYEAPRYEM-UHFFFAOYSA-N 0 3 282.304 -1.507 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC(=O)N1)C(=O)NC(N)=O ZINC001124804805 779717637 /nfs/dbraw/zinc/71/76/37/779717637.db2.gz LCGUZZMEFOBVCI-NKWVEPMBSA-N 0 3 285.304 -2.446 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001124818924 779718054 /nfs/dbraw/zinc/71/80/54/779718054.db2.gz NXIOHZDAPLESQM-JGVFFNPUSA-N 0 3 256.306 -1.765 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCC(=O)N1 ZINC001124804911 779718005 /nfs/dbraw/zinc/71/80/05/779718005.db2.gz PIXWZOWYTKZZDB-HTQZYQBOSA-N 0 3 254.290 -2.141 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804704 779718126 /nfs/dbraw/zinc/71/81/26/779718126.db2.gz GFUDRSMNQYWFSH-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124805181 779718153 /nfs/dbraw/zinc/71/81/53/779718153.db2.gz UXEHXCSAPSHJKB-SSDOTTSWSA-N 0 3 285.304 -2.574 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804629 779718231 /nfs/dbraw/zinc/71/82/31/779718231.db2.gz CZKJYWBLLMHTRQ-SECBINFHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124814500 779718255 /nfs/dbraw/zinc/71/82/55/779718255.db2.gz JJSHWBJBGXCWAD-HTQZYQBOSA-N 0 3 256.306 -1.895 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)[nH]1 ZINC001124824841 779718270 /nfs/dbraw/zinc/71/82/70/779718270.db2.gz HHSDBYFIBQYSLW-QMMMGPOBSA-N 0 3 279.300 -1.157 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804703 779718332 /nfs/dbraw/zinc/71/83/32/779718332.db2.gz GFUDRSMNQYWFSH-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCC(=O)N1)N1CCOCC1 ZINC001124804789 779718463 /nfs/dbraw/zinc/71/84/63/779718463.db2.gz KMPZSALUDNJUQA-SNVBAGLBSA-N 0 3 298.343 -2.170 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@@H]1CCN(CC)C1=O ZINC001124861465 779718887 /nfs/dbraw/zinc/71/88/87/779718887.db2.gz NDNVASJVYKLLSK-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNC(=O)CC ZINC001124872286 779718952 /nfs/dbraw/zinc/71/89/52/779718952.db2.gz DKGNMRKTDRKQRM-UHFFFAOYSA-N 0 3 258.322 -1.646 20 0 CAADHN CCC(=O)NCC(=O)NCCNCC(=O)NCC1CC1 ZINC001124872303 779718999 /nfs/dbraw/zinc/71/89/99/779718999.db2.gz FGCUNBYWDDWZLO-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN CCC(=O)NCC(=O)NCCNCC(=O)N1CCC1 ZINC001124867025 779719103 /nfs/dbraw/zinc/71/91/03/779719103.db2.gz QDMBAKUTIYCBNG-UHFFFAOYSA-N 0 3 270.333 -1.549 20 0 CAADHN CCC(=O)NCC(=O)NCCNCC(=O)NC(=O)NC ZINC001124872235 779719552 /nfs/dbraw/zinc/71/95/52/779719552.db2.gz BJVYNLDEJOEIKE-UHFFFAOYSA-N 0 3 287.320 -2.326 20 0 CAADHN CCC(=O)NCC(=O)NCCNCC(=O)NC1CC1 ZINC001124873247 779719972 /nfs/dbraw/zinc/71/99/72/779719972.db2.gz UNZJSVKWGQXQNA-UHFFFAOYSA-N 0 3 270.333 -1.503 20 0 CAADHN CCCNC(=O)CNCCNC(=O)COCCOC ZINC001124920138 779720014 /nfs/dbraw/zinc/72/00/14/779720014.db2.gz CUIJCNFQRZYVGG-UHFFFAOYSA-N 0 3 275.349 -1.119 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)c2nccnc2N)C1=O ZINC001125034768 779720612 /nfs/dbraw/zinc/72/06/12/779720612.db2.gz VMSFLTDBPQBKIG-SECBINFHSA-N 0 3 292.343 -1.001 20 0 CAADHN Nc1nccnc1C(=O)NCCN[C@H]1CCCNC1=O ZINC001125029083 779720720 /nfs/dbraw/zinc/72/07/20/779720720.db2.gz IOYHMGGYHCIBAM-QMMMGPOBSA-N 0 3 278.316 -1.343 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1nccnc1N ZINC001125029248 779720777 /nfs/dbraw/zinc/72/07/77/779720777.db2.gz QBOYLFXPHYEZLW-UHFFFAOYSA-N 0 3 266.305 -1.486 20 0 CAADHN Nc1nccnc1C(=O)NCCNCC(=O)NC1CC1 ZINC001125029295 779720846 /nfs/dbraw/zinc/72/08/46/779720846.db2.gz SHCOYOUPJORXPW-UHFFFAOYSA-N 0 3 278.316 -1.343 20 0 CAADHN Nc1nccnc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001125029007 779720925 /nfs/dbraw/zinc/72/09/25/779720925.db2.gz FHCPQESWRLQKNB-SSDOTTSWSA-N 0 3 292.299 -1.817 20 0 CAADHN Nc1nccnc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001125029072 779721069 /nfs/dbraw/zinc/72/10/69/779721069.db2.gz IGWLFVZLRRMYLV-SSDOTTSWSA-N 0 3 264.289 -1.733 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1nccnc1N ZINC001125029158 779721134 /nfs/dbraw/zinc/72/11/34/779721134.db2.gz LXCNHARGNUMCOU-UHFFFAOYSA-N 0 3 280.332 -1.096 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1cc(C)on1 ZINC001124999103 779721163 /nfs/dbraw/zinc/72/11/63/779721163.db2.gz FSGUBZINVYCLRR-UHFFFAOYSA-N 0 3 297.315 -1.313 20 0 CAADHN Nc1nccnc1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001125029082 779721172 /nfs/dbraw/zinc/72/11/72/779721172.db2.gz IOYHMGGYHCIBAM-MRVPVSSYSA-N 0 3 278.316 -1.343 20 0 CAADHN Nc1nccnc1C(=O)NCCNCC(=O)NCC1CC1 ZINC001125029161 779721321 /nfs/dbraw/zinc/72/13/21/779721321.db2.gz LZDSCMFDDCYRFB-UHFFFAOYSA-N 0 3 292.343 -1.096 20 0 CAADHN CN(CCNCCNC(=O)CC(N)=O)S(C)(=O)=O ZINC001125084613 779721358 /nfs/dbraw/zinc/72/13/58/779721358.db2.gz AWRPCHHETXZJCJ-UHFFFAOYSA-N 0 3 280.350 -2.541 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)c2nccnc2N)C1=O ZINC001125028948 779721366 /nfs/dbraw/zinc/72/13/66/779721366.db2.gz BQNJVCSJNDEMIV-VIFPVBQESA-N 0 3 292.343 -1.001 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1nccnc1N ZINC001125029456 779721463 /nfs/dbraw/zinc/72/14/63/779721463.db2.gz WDMVKDXCSJWHGC-UHFFFAOYSA-N 0 3 280.332 -1.097 20 0 CAADHN Nc1nccnc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001125029008 779721475 /nfs/dbraw/zinc/72/14/75/779721475.db2.gz FHCPQESWRLQKNB-ZETCQYMHSA-N 0 3 292.299 -1.817 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001125079574 779721489 /nfs/dbraw/zinc/72/14/89/779721489.db2.gz AGHWWJCYZRNDPR-UHFFFAOYSA-N 0 3 286.332 -2.137 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1nccnc1N ZINC001125034284 779721630 /nfs/dbraw/zinc/72/16/30/779721630.db2.gz NDIYKTCHFBPXDI-ZETCQYMHSA-N 0 3 266.305 -1.487 20 0 CAADHN COCCCNC(=O)[C@@H](C)NCCNC(=O)CC(N)=O ZINC001125095063 779722240 /nfs/dbraw/zinc/72/22/40/779722240.db2.gz KTNZFLRLUCVCPQ-SECBINFHSA-N 0 3 288.348 -1.891 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cc1cc[nH]n1 ZINC001125158878 779722122 /nfs/dbraw/zinc/72/21/22/779722122.db2.gz UAZDOXSTPDSDHI-UHFFFAOYSA-N 0 3 289.361 -1.793 20 0 CAADHN Cc1c(C(=O)NCCNCC(=O)N2CCC2)nnn1C ZINC001125169450 779722182 /nfs/dbraw/zinc/72/21/82/779722182.db2.gz BEBNENOFYGORQV-UHFFFAOYSA-N 0 3 280.332 -1.325 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cc1cc[nH]n1 ZINC001125141291 779722207 /nfs/dbraw/zinc/72/22/07/779722207.db2.gz JMOKVVJAURSXED-UHFFFAOYSA-N 0 3 253.306 -1.254 20 0 CAADHN O=C(Cc1cc[nH]n1)NCCN[C@H]1CCNC1=O ZINC001125140970 779722232 /nfs/dbraw/zinc/72/22/32/779722232.db2.gz CBRMHQCDFQBPOI-VIFPVBQESA-N 0 3 251.290 -1.454 20 0 CAADHN CC[C@H](NCCNC(=O)Cc1cc[nH]n1)C(N)=O ZINC001125157672 779722253 /nfs/dbraw/zinc/72/22/53/779722253.db2.gz CTGINBUZWLNJRF-VIFPVBQESA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1cc[nH]n1)C(=O)NC(N)=O ZINC001125164112 779722349 /nfs/dbraw/zinc/72/23/49/779722349.db2.gz DFALMRFILKYWGR-SSDOTTSWSA-N 0 3 282.304 -1.759 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cc1cc[nH]n1 ZINC001125165229 779722406 /nfs/dbraw/zinc/72/24/06/779722406.db2.gz ZCDLRTJXOKPDKI-MRVPVSSYSA-N 0 3 296.331 -1.498 20 0 CAADHN CCCCNC(=O)[C@H](C)NCCNC(=O)CC(N)=O ZINC001125095228 779722497 /nfs/dbraw/zinc/72/24/97/779722497.db2.gz NETAJTSZXCSUEC-VIFPVBQESA-N 0 3 272.349 -1.128 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)CC(N)=O)C1CC1 ZINC001125090292 779722528 /nfs/dbraw/zinc/72/25/28/779722528.db2.gz HPOGIECYTRCXPG-MRVPVSSYSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1ccon1)C(=O)NC(N)=O ZINC001125099206 779722540 /nfs/dbraw/zinc/72/25/40/779722540.db2.gz SCJXBQKMZZPNMW-SSDOTTSWSA-N 0 3 283.288 -1.494 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)CC(N)=O ZINC001125090393 779722552 /nfs/dbraw/zinc/72/25/52/779722552.db2.gz HXAVRPAICZPMIT-QMMMGPOBSA-N 0 3 258.322 -1.518 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cc1cc[nH]n1 ZINC001125158422 779722594 /nfs/dbraw/zinc/72/25/94/779722594.db2.gz MLELMPWDVQWGHL-QMMMGPOBSA-N 0 3 253.306 -1.208 20 0 CAADHN O=C(CNCCNC(=O)Cc1cc[nH]n1)NC1CC1 ZINC001125141679 779722682 /nfs/dbraw/zinc/72/26/82/779722682.db2.gz XOAPHGIMIFWUSD-UHFFFAOYSA-N 0 3 265.317 -1.063 20 0 CAADHN CCCCNC(=O)[C@@H](C)NCCNC(=O)CC(N)=O ZINC001125095227 779722830 /nfs/dbraw/zinc/72/28/30/779722830.db2.gz NETAJTSZXCSUEC-SECBINFHSA-N 0 3 272.349 -1.128 20 0 CAADHN O=C(Cc1ccon1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001125108760 779722914 /nfs/dbraw/zinc/72/29/14/779722914.db2.gz HCZDFUUVNVGOLS-SECBINFHSA-N 0 3 280.284 -1.272 20 0 CAADHN Cc1c(C(=O)NCCN[C@@H]2CCNC2=O)nnn1C ZINC001125174942 779722932 /nfs/dbraw/zinc/72/29/32/779722932.db2.gz AUKRTIPDVDOUJS-MRVPVSSYSA-N 0 3 266.305 -1.669 20 0 CAADHN CN1CC[C@H](NCCNC(=O)Cc2cc[nH]n2)C1=O ZINC001125157967 779723020 /nfs/dbraw/zinc/72/30/20/779723020.db2.gz GSCAUPPXDDCSQE-JTQLQIEISA-N 0 3 265.317 -1.111 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1cc[nH]n1 ZINC001125141671 779723077 /nfs/dbraw/zinc/72/30/77/779723077.db2.gz XJGKKXPMMJGTOS-UHFFFAOYSA-N 0 3 268.277 -2.147 20 0 CAADHN O=C(Cc1cc[nH]n1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001125151716 779723109 /nfs/dbraw/zinc/72/31/09/779723109.db2.gz CNNXABZKLOBJQU-SECBINFHSA-N 0 3 279.300 -1.537 20 0 CAADHN Cc1c(C(=O)NCCN[C@H](C)C(=O)N(C)C)nnn1C ZINC001125184384 779723658 /nfs/dbraw/zinc/72/36/58/779723658.db2.gz FQQQTMTUAZSFCS-MRVPVSSYSA-N 0 3 282.348 -1.080 20 0 CAADHN CN1CCO[C@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001125214401 779723779 /nfs/dbraw/zinc/72/37/79/779723779.db2.gz SIUFQTKIHBXGGJ-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@H]1CN(C)CCO1 ZINC001125213879 779723829 /nfs/dbraw/zinc/72/38/29/779723829.db2.gz MGUUBRPZXQQGAZ-GFCCVEGCSA-N 0 3 281.360 -1.044 20 0 CAADHN CN1CCO[C@H](C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001125213291 779724364 /nfs/dbraw/zinc/72/43/64/779724364.db2.gz CXNXHDOMCCEJKF-LBPRGKRZSA-N 0 3 298.387 -1.451 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CN(C)CCO1)C(=O)NC1CC1 ZINC001125203345 779724459 /nfs/dbraw/zinc/72/44/59/779724459.db2.gz MACHDUIEXBCQFX-JQWIXIFHSA-N 0 3 298.387 -1.310 20 0 CAADHN Cc1c(C(=O)NCCNCC(=O)NC(C)C)nnn1C ZINC001125175018 779724494 /nfs/dbraw/zinc/72/44/94/779724494.db2.gz FMUMGKSSCOHUPW-UHFFFAOYSA-N 0 3 282.348 -1.032 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125213909 779724530 /nfs/dbraw/zinc/72/45/30/779724530.db2.gz MQQVXEDZIFXOIV-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@H]2CN(C)CCO2)cn1 ZINC001125213346 779724743 /nfs/dbraw/zinc/72/47/43/779724743.db2.gz GEKYWWJZFNDIKK-GFCCVEGCSA-N 0 3 281.360 -1.044 20 0 CAADHN CC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC000035053352 779732143 /nfs/dbraw/zinc/73/21/43/779732143.db2.gz KVLKSVVMTRXCLG-UHFFFAOYSA-N 0 3 254.290 -1.690 20 0 CAADHN CCN(CCO)CCNC(=O)COCC(=O)OC ZINC001138718734 779733320 /nfs/dbraw/zinc/73/33/20/779733320.db2.gz QMHPOZLTCNGAKZ-UHFFFAOYSA-N 0 3 262.306 -1.394 20 0 CAADHN O=C1CC[C@@H](CN2CCC3(CC2)NC(=O)NC3=O)N1 ZINC001202897974 779734240 /nfs/dbraw/zinc/73/42/40/779734240.db2.gz FNOKPIJGLJIQQH-QMMMGPOBSA-N 0 3 266.301 -1.061 20 0 CAADHN O=C1CC[C@H](CN2CCC3(CC2)NC(=O)NC3=O)N1 ZINC001202897973 779734322 /nfs/dbraw/zinc/73/43/22/779734322.db2.gz FNOKPIJGLJIQQH-MRVPVSSYSA-N 0 3 266.301 -1.061 20 0 CAADHN CCN1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149159770 779735599 /nfs/dbraw/zinc/73/55/99/779735599.db2.gz LWFHEIUKBHQGKC-SNVBAGLBSA-N 0 3 268.321 -1.100 20 0 CAADHN CNC(=O)C[NH2+]C1CCN(C(=O)c2nc[n-]n2)CC1 ZINC001202983423 779736711 /nfs/dbraw/zinc/73/67/11/779736711.db2.gz JKXXDXXHKANDRE-UHFFFAOYSA-N 0 3 266.305 -1.255 20 0 CAADHN CN(C)CCn1nccc1C(=O)NC[C@H](O)C(N)=O ZINC001139833286 779736913 /nfs/dbraw/zinc/73/69/13/779736913.db2.gz HCLWZKRHODRMIS-VIFPVBQESA-N 0 3 269.305 -1.979 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001140115657 779736931 /nfs/dbraw/zinc/73/69/31/779736931.db2.gz BKEDSZCECKWMSV-BBBLOLIVSA-N 0 3 296.327 -1.748 20 0 CAADHN NC(=O)NC(=O)C[NH2+]C1CCN(C(=O)c2nc[n-]n2)CC1 ZINC001202983303 779736981 /nfs/dbraw/zinc/73/69/81/779736981.db2.gz FUVDCBVWASFHEL-UHFFFAOYSA-N 0 3 295.303 -1.806 20 0 CAADHN C[C@H](N)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000037820424 779740949 /nfs/dbraw/zinc/74/09/49/779740949.db2.gz JHFZDIGOCUTJNZ-YUMQZZPRSA-N 0 3 264.351 -1.635 20 0 CAADHN C[C@H](N)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000037820422 779740984 /nfs/dbraw/zinc/74/09/84/779740984.db2.gz JHFZDIGOCUTJNZ-JGVFFNPUSA-N 0 3 264.351 -1.635 20 0 CAADHN CN1CCN(CCCCNC(=O)C2(O)COC2)CC1 ZINC001141531726 779742564 /nfs/dbraw/zinc/74/25/64/779742564.db2.gz LFQAQORRCSKDLH-UHFFFAOYSA-N 0 3 271.361 -1.109 20 0 CAADHN COCCNC(=O)CNC[C@H](O)Cn1cccn1 ZINC000228704687 779742716 /nfs/dbraw/zinc/74/27/16/779742716.db2.gz SXJSKGKEGJJCPK-JTQLQIEISA-N 0 3 256.306 -1.404 20 0 CAADHN Cn1nnc(C(=O)NCCCCN2CCN(C)CC2)n1 ZINC001141531644 779743166 /nfs/dbraw/zinc/74/31/66/779743166.db2.gz IVDPAXLKQVFTRS-UHFFFAOYSA-N 0 3 281.364 -1.033 20 0 CAADHN C[C@]1(CC(=O)NCCNCC(N)=O)CCS(=O)(=O)N1 ZINC001149105082 779744715 /nfs/dbraw/zinc/74/47/15/779744715.db2.gz SIWPLQVQZXEPJB-SNVBAGLBSA-N 0 3 292.361 -2.351 20 0 CAADHN CN(C)C1(C)CN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001142087464 779749081 /nfs/dbraw/zinc/74/90/81/779749081.db2.gz NRHXTLPEYJLTIE-UHFFFAOYSA-N 0 3 254.290 -1.299 20 0 CAADHN NC(=O)CC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149491158 779779294 /nfs/dbraw/zinc/77/92/94/779779294.db2.gz ZOQGHVDHPXKCMI-SECBINFHSA-N 0 3 259.306 -1.939 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCS(=O)(=O)N1)C(N)=O ZINC001151301845 779807250 /nfs/dbraw/zinc/80/72/50/779807250.db2.gz WWZZPIBTFDKLDO-RQJHMYQMSA-N 0 3 278.334 -2.742 20 0 CAADHN CN1CCN(CCC(=O)N2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC001143225058 779769093 /nfs/dbraw/zinc/76/90/93/779769093.db2.gz NIJMMSADSBGJSB-OLZOCXBDSA-N 0 3 285.388 -1.174 20 0 CAADHN COC(=O)[C@@H](NC(=O)CCN1CCN(C)CC1)[C@@H](C)O ZINC001143236939 779769109 /nfs/dbraw/zinc/76/91/09/779769109.db2.gz XJMOXNASTNWYOM-PWSUYJOCSA-N 0 3 287.360 -1.338 20 0 CAADHN CN1CCN(CCC(=O)N2C[C@H](O)C[C@@H]2CO)CC1 ZINC001143237810 779769255 /nfs/dbraw/zinc/76/92/55/779769255.db2.gz RKGAHHKYGBPBOG-VXGBXAGGSA-N 0 3 271.361 -1.422 20 0 CAADHN CN1CCN(CCC(=O)N2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC001143225138 779769346 /nfs/dbraw/zinc/76/93/46/779769346.db2.gz QVWWOMQNGPZBMB-QWHCGFSZSA-N 0 3 285.388 -1.174 20 0 CAADHN CN1CCN(CCC(=O)N2CC[C@H](O)[C@H](CO)C2)CC1 ZINC001143225139 779769483 /nfs/dbraw/zinc/76/94/83/779769483.db2.gz QVWWOMQNGPZBMB-STQMWFEESA-N 0 3 285.388 -1.174 20 0 CAADHN CN1CCN(CCC(=O)NC2(C(N)=O)CC2)CC1 ZINC001143236755 779769760 /nfs/dbraw/zinc/76/97/60/779769760.db2.gz TVRXKMAXHHVSON-UHFFFAOYSA-N 0 3 254.334 -1.242 20 0 CAADHN CN1CCN(CCC(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC001143230538 779769813 /nfs/dbraw/zinc/76/98/13/779769813.db2.gz BKBIVMVJQVEVIW-LLVKDONJSA-N 0 3 284.360 -1.663 20 0 CAADHN CN1CCN(CCC(=O)NC[C@H]2CNC(=O)C2)CC1 ZINC001143236891 779769849 /nfs/dbraw/zinc/76/98/49/779769849.db2.gz WSWBNORUHLPILT-NSHDSACASA-N 0 3 268.361 -1.124 20 0 CAADHN CNC(=O)[C@H](C)NC(=O)CCN1CCN(C)CC1 ZINC001143237628 779770130 /nfs/dbraw/zinc/77/01/30/779770130.db2.gz OGWXUYOSZAXFPH-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN CN1CCC(CO)(NC(=O)C2(C(N)=O)CC2)CC1 ZINC001143171348 779770256 /nfs/dbraw/zinc/77/02/56/779770256.db2.gz LZTKOPWXOLCCDN-UHFFFAOYSA-N 0 3 255.318 -1.175 20 0 CAADHN CN1CCN(CCC(=O)N2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC001143225060 779770299 /nfs/dbraw/zinc/77/02/99/779770299.db2.gz NIJMMSADSBGJSB-STQMWFEESA-N 0 3 285.388 -1.174 20 0 CAADHN CNS(=O)(=O)CCNC(=O)CCN1CCN(C)CC1 ZINC001143236723 779770326 /nfs/dbraw/zinc/77/03/26/779770326.db2.gz RSKUTACAPRMOBV-UHFFFAOYSA-N 0 3 292.405 -1.711 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)C1 ZINC001143293005 779772045 /nfs/dbraw/zinc/77/20/45/779772045.db2.gz QLIZRXYGFKNKSE-VHSXEESVSA-N 0 3 255.318 -1.089 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)NCCNCC(N)=O ZINC001152097001 779820314 /nfs/dbraw/zinc/82/03/14/779820314.db2.gz GIUJIWKTXYUYIB-UHFFFAOYSA-N 0 3 280.350 -2.541 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001149317874 779774353 /nfs/dbraw/zinc/77/43/53/779774353.db2.gz QITVATUIGCVMCJ-VIFPVBQESA-N 0 3 299.331 -2.245 20 0 CAADHN CC(=O)N(C)CCCC(=O)NCCN[C@@H](C)C(N)=O ZINC001149247039 779774453 /nfs/dbraw/zinc/77/44/53/779774453.db2.gz ATZYYLQRJBUZKC-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001149312656 779774469 /nfs/dbraw/zinc/77/44/69/779774469.db2.gz NGLCUZXWJMVWMB-GFCCVEGCSA-N 0 3 296.371 -1.207 20 0 CAADHN O=C(CNC(=O)C1CC1)NC[C@@H]1CN(CCO)CCCO1 ZINC001149257101 779774879 /nfs/dbraw/zinc/77/48/79/779774879.db2.gz XMJHZYQSXOKBFT-GFCCVEGCSA-N 0 3 299.371 -1.288 20 0 CAADHN COc1c(C(=O)NCCNCC(=O)N2CCC2)cnn1C ZINC001149198282 779775061 /nfs/dbraw/zinc/77/50/61/779775061.db2.gz ZUZKLKSGCSLMLN-UHFFFAOYSA-N 0 3 295.343 -1.020 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnn(C)c1OC ZINC001149197751 779775084 /nfs/dbraw/zinc/77/50/84/779775084.db2.gz VWHCYROOLLTNLP-UHFFFAOYSA-N 0 3 283.332 -1.116 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001149317603 779775101 /nfs/dbraw/zinc/77/51/01/779775101.db2.gz KSRLAXXPMMPAKQ-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001149317872 779775136 /nfs/dbraw/zinc/77/51/36/779775136.db2.gz QITVATUIGCVMCJ-SECBINFHSA-N 0 3 299.331 -2.245 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001149312071 779775166 /nfs/dbraw/zinc/77/51/66/779775166.db2.gz GQAMFXRYJVCOBO-JTQLQIEISA-N 0 3 270.333 -1.693 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001149317882 779775230 /nfs/dbraw/zinc/77/52/30/779775230.db2.gz QKQQXBSDNWNNIO-LLVKDONJSA-N 0 3 284.360 -1.351 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001149318711 779775817 /nfs/dbraw/zinc/77/58/17/779775817.db2.gz YBNXRCLXQNKYHE-RYUDHWBXSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCN(C(C)=O)C1)C(N)=O ZINC001149325121 779776031 /nfs/dbraw/zinc/77/60/31/779776031.db2.gz KYLOXMAJXQUDKK-GHMZBOCLSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001149317884 779776146 /nfs/dbraw/zinc/77/61/46/779776146.db2.gz QKQQXBSDNWNNIO-NSHDSACASA-N 0 3 284.360 -1.351 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnn(CCOC)c1 ZINC001149339026 779776228 /nfs/dbraw/zinc/77/62/28/779776228.db2.gz RBAAXWGXOXNWKK-SNVBAGLBSA-N 0 3 297.359 -1.017 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc2c(cn1)nc[nH]c2=O ZINC001149332829 779776504 /nfs/dbraw/zinc/77/65/04/779776504.db2.gz KUJOKLHXWKOUOI-UHFFFAOYSA-N 0 3 290.283 -1.465 20 0 CAADHN COCCn1cc(C(=O)NCCN[C@H](C)C(N)=O)cn1 ZINC001149338750 779776596 /nfs/dbraw/zinc/77/65/96/779776596.db2.gz JOPPSEXFMLPLDH-SECBINFHSA-N 0 3 283.332 -1.277 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001149318691 779776734 /nfs/dbraw/zinc/77/67/34/779776734.db2.gz XTFUKFHJNZDEQW-WCBMZHEXSA-N 0 3 270.333 -1.566 20 0 CAADHN COCCOCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149423826 779776803 /nfs/dbraw/zinc/77/68/03/779776803.db2.gz CTZKIIPNRZDYMD-LBPRGKRZSA-N 0 3 290.360 -1.151 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCCC(=O)N1C)C(N)=O ZINC001149470273 779778615 /nfs/dbraw/zinc/77/86/15/779778615.db2.gz XGMQHBZTBKTXAE-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCCC(=O)N2C)C1=O ZINC001149477657 779778719 /nfs/dbraw/zinc/77/87/19/779778719.db2.gz VRNVBEBVOQXLEA-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCC(=O)N1C)C(N)=O ZINC001149463786 779778742 /nfs/dbraw/zinc/77/87/42/779778742.db2.gz GNCXJQZABGAAII-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN NC(=O)CC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149491159 779778967 /nfs/dbraw/zinc/77/89/67/779778967.db2.gz ZOQGHVDHPXKCMI-VIFPVBQESA-N 0 3 259.306 -1.939 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001149455469 779779102 /nfs/dbraw/zinc/77/91/02/779779102.db2.gz OWCGNOVMTNHSGC-LLVKDONJSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCCC(=O)N1C)C(N)=O ZINC001149470269 779779271 /nfs/dbraw/zinc/77/92/71/779779271.db2.gz XGMQHBZTBKTXAE-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)c1cccc(C(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001149463842 779779313 /nfs/dbraw/zinc/77/93/13/779779313.db2.gz IBQVUBPCALKNNA-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001149531449 779780099 /nfs/dbraw/zinc/78/00/99/779780099.db2.gz ZRACCCYJXOJKGR-SCZZXKLOSA-N 0 3 286.332 -2.187 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001149531451 779780126 /nfs/dbraw/zinc/78/01/26/779780126.db2.gz ZRACCCYJXOJKGR-WPRPVWTQSA-N 0 3 286.332 -2.187 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1nc(C)n(C)c1=O)C(N)=O ZINC001149576323 779780211 /nfs/dbraw/zinc/78/02/11/779780211.db2.gz AWUBMCWZWJROQK-VIFPVBQESA-N 0 3 298.347 -2.140 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1nc(C)n(C)c1=O)C(N)=O ZINC001149576322 779780292 /nfs/dbraw/zinc/78/02/92/779780292.db2.gz AWUBMCWZWJROQK-SECBINFHSA-N 0 3 298.347 -2.140 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)NCCNCC(N)=O)C1 ZINC001149531087 779780318 /nfs/dbraw/zinc/78/03/18/779780318.db2.gz RUTDNBMKPSGQLV-VIFPVBQESA-N 0 3 272.305 -2.575 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1cncn1C ZINC001149553500 779780347 /nfs/dbraw/zinc/78/03/47/779780347.db2.gz KUGHSNHREGJOBS-UHFFFAOYSA-N 0 3 267.333 -1.196 20 0 CAADHN Cn1cncc1CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001149558348 779780369 /nfs/dbraw/zinc/78/03/69/779780369.db2.gz IDNRHCHLDJXDFL-LLVKDONJSA-N 0 3 279.344 -1.053 20 0 CAADHN Cc1nn(CC(=O)NCCN[C@@H](C)C(N)=O)c(=O)n1C ZINC001149576529 779780887 /nfs/dbraw/zinc/78/08/87/779780887.db2.gz GZEAVDJJPPBPEM-ZETCQYMHSA-N 0 3 284.320 -2.530 20 0 CAADHN Cc1nn(CC(=O)NCCNCCF)c(=O)n1C ZINC001149576538 779781172 /nfs/dbraw/zinc/78/11/72/779781172.db2.gz HTRJNUBSYVLSNE-UHFFFAOYSA-N 0 3 259.285 -1.434 20 0 CAADHN Cc1nn(CC(=O)NCCNCC(=O)N(C)C)c(=O)n1C ZINC001149576581 779781379 /nfs/dbraw/zinc/78/13/79/779781379.db2.gz IWGWIPWRPOFNQY-UHFFFAOYSA-N 0 3 298.347 -2.316 20 0 CAADHN CNC(=O)CC(=O)NC[C@@H]1CN(C[C@H](C)O)CCCO1 ZINC001149599605 779781709 /nfs/dbraw/zinc/78/17/09/779781709.db2.gz JOIIGSGXQMPMLJ-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149577260 779781736 /nfs/dbraw/zinc/78/17/36/779781736.db2.gz XNBPCAUMMBLHCR-MRVPVSSYSA-N 0 3 298.347 -2.269 20 0 CAADHN CNC(=O)CC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149598569 779781788 /nfs/dbraw/zinc/78/17/88/779781788.db2.gz BWTTXSLIIULCAZ-SNVBAGLBSA-N 0 3 273.333 -1.678 20 0 CAADHN O=C(CCn1ccnn1)NC[C@@H]1CN(CCO)CCCO1 ZINC001149616062 779781812 /nfs/dbraw/zinc/78/18/12/779781812.db2.gz XHOFMQFWCDEZFM-GFCCVEGCSA-N 0 3 297.359 -1.132 20 0 CAADHN O=C(Cn1nccn1)NC[C@@H]1CN(CCO)CCCO1 ZINC001149803610 779782377 /nfs/dbraw/zinc/78/23/77/779782377.db2.gz AXBWUYAAWGYCSK-LLVKDONJSA-N 0 3 283.332 -1.523 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)c1cccs1 ZINC001149865677 779782503 /nfs/dbraw/zinc/78/25/03/779782503.db2.gz IHAXYDDRAZQRAM-UHFFFAOYSA-N 0 3 284.341 -1.331 20 0 CAADHN O=C(Cn1nccn1)NC[C@H]1CN(CCCO)CCCO1 ZINC001149781194 779782587 /nfs/dbraw/zinc/78/25/87/779782587.db2.gz NURCWDNQXWAXHY-LBPRGKRZSA-N 0 3 297.359 -1.132 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149855260 779782652 /nfs/dbraw/zinc/78/26/52/779782652.db2.gz WZVULTKVBLVWJB-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H]1CN(CCCO)CCCO1 ZINC001149739860 779782803 /nfs/dbraw/zinc/78/28/03/779782803.db2.gz QNHIADORATUZBQ-NSHDSACASA-N 0 3 298.347 -1.737 20 0 CAADHN Cc1ccnc2nc(C(=O)NCCN[C@@H](C)C(N)=O)nn21 ZINC001149865730 779782892 /nfs/dbraw/zinc/78/28/92/779782892.db2.gz KFDKSQPCXKDTGX-QMMMGPOBSA-N 0 3 291.315 -1.374 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)c1ccco1 ZINC001149884923 779783116 /nfs/dbraw/zinc/78/31/16/779783116.db2.gz SPRUIUAUVPFVAT-SECBINFHSA-N 0 3 296.327 -1.150 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001149763295 779783209 /nfs/dbraw/zinc/78/32/09/779783209.db2.gz NDYVQUDQXMEMMZ-SSDOTTSWSA-N 0 3 252.274 -1.020 20 0 CAADHN Cc1cc(C)n2nc(C(=O)NCCNCC(N)=O)nc2n1 ZINC001149859889 779783282 /nfs/dbraw/zinc/78/32/82/779783282.db2.gz YRMUVZJLKSOKTE-UHFFFAOYSA-N 0 3 291.315 -1.454 20 0 CAADHN C[C@@H](O)CN1CCCO[C@H](CNC(=O)Cn2nccn2)C1 ZINC001149796430 779783328 /nfs/dbraw/zinc/78/33/28/779783328.db2.gz KWOAQEHFZVBVPJ-VXGBXAGGSA-N 0 3 297.359 -1.134 20 0 CAADHN CC(C)(C(N)=O)C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149863219 779783365 /nfs/dbraw/zinc/78/33/65/779783365.db2.gz YZURJQQVJKMKNR-JTQLQIEISA-N 0 3 287.360 -1.303 20 0 CAADHN CC[C@H](NCCNC(=O)CNC(=O)c1ccco1)C(N)=O ZINC001149884039 779783556 /nfs/dbraw/zinc/78/35/56/779783556.db2.gz JLDZVPCVZUECBA-VIFPVBQESA-N 0 3 296.327 -1.021 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H]1CN(CCCO)CCCO1 ZINC001149739859 779783562 /nfs/dbraw/zinc/78/35/62/779783562.db2.gz QNHIADORATUZBQ-LLVKDONJSA-N 0 3 298.347 -1.737 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001149763296 779783572 /nfs/dbraw/zinc/78/35/72/779783572.db2.gz NDYVQUDQXMEMMZ-ZETCQYMHSA-N 0 3 252.274 -1.020 20 0 CAADHN C[C@@H](NCCNC(=O)CN1C(=O)NC(C)(C)C1=O)C(N)=O ZINC001149925081 779784365 /nfs/dbraw/zinc/78/43/65/779784365.db2.gz OUNOMVKSQWZGNN-SSDOTTSWSA-N 0 3 299.331 -2.104 20 0 CAADHN CC1(C)NC(=O)N(CC(=O)NCCNCCF)C1=O ZINC001149925464 779784478 /nfs/dbraw/zinc/78/44/78/779784478.db2.gz TZLOSRIBHMPZEB-UHFFFAOYSA-N 0 3 274.296 -1.008 20 0 CAADHN C[C@@H](NC(=O)c1ccccc1)C(=O)NCCNCC(N)=O ZINC001150057900 779784625 /nfs/dbraw/zinc/78/46/25/779784625.db2.gz OCLXGVXKRMPVQG-SNVBAGLBSA-N 0 3 292.339 -1.004 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)c1ccco1 ZINC001149885044 779784779 /nfs/dbraw/zinc/78/47/79/779784779.db2.gz UJZAVKVYZCHXNG-UHFFFAOYSA-N 0 3 282.300 -1.539 20 0 CAADHN C[C@@]1(C(=O)NC[C@H]2CN(CCO)CCCO2)CNC(=O)C1 ZINC001150023927 779784822 /nfs/dbraw/zinc/78/48/22/779784822.db2.gz ZSHVYGDTLCVMNL-FZMZJTMJSA-N 0 3 299.371 -1.288 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)c1ccco1 ZINC001149885156 779784838 /nfs/dbraw/zinc/78/48/38/779784838.db2.gz YWUSBFSKZYTWHW-UHFFFAOYSA-N 0 3 268.273 -1.800 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(NC(N)=O)cc1 ZINC001150064238 779784851 /nfs/dbraw/zinc/78/48/51/779784851.db2.gz ODXCAAXVWHIINO-UHFFFAOYSA-N 0 3 279.300 -1.018 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1C(=O)NC(C)(C)C1=O ZINC001149915243 779785116 /nfs/dbraw/zinc/78/51/16/779785116.db2.gz NOKCUXNAAINUFU-UHFFFAOYSA-N 0 3 299.331 -2.231 20 0 CAADHN CCN1CCCO[C@H](CNC(=O)CN2CCNC(=O)C2)C1 ZINC001150077787 779785897 /nfs/dbraw/zinc/78/58/97/779785897.db2.gz BLHWRCNIVUYWHN-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150079609 779785916 /nfs/dbraw/zinc/78/59/16/779785916.db2.gz UGMCMUHBGVYFNC-GHMZBOCLSA-N 0 3 287.360 -1.303 20 0 CAADHN Cn1nc(C(=O)NCCNCC(=O)NC(N)=O)ccc1=O ZINC001150129872 779786118 /nfs/dbraw/zinc/78/61/18/779786118.db2.gz FDBFTKAUEBRVOE-UHFFFAOYSA-N 0 3 296.287 -2.705 20 0 CAADHN Cn1nc(C(=O)NCCN[C@H]2CCNC2=O)ccc1=O ZINC001150150628 779787105 /nfs/dbraw/zinc/78/71/05/779787105.db2.gz QKXHARFZNHIUSR-QMMMGPOBSA-N 0 3 279.300 -2.012 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccc(=O)n(C)n1 ZINC001150130166 779787274 /nfs/dbraw/zinc/78/72/74/779787274.db2.gz LGPVRARFZOARJE-QMMMGPOBSA-N 0 3 281.316 -1.766 20 0 CAADHN NC(=O)C1(C(=O)NC[C@@H]2CN(CCCO)CCCO2)CC1 ZINC001150201751 779787324 /nfs/dbraw/zinc/78/73/24/779787324.db2.gz ARNKKDDEXCIKOB-LLVKDONJSA-N 0 3 299.371 -1.159 20 0 CAADHN Cn1nc(C(=O)NCCNCC(N)=O)ccc1=O ZINC001150149716 779787340 /nfs/dbraw/zinc/78/73/40/779787340.db2.gz FEEWANUBUQPWMX-UHFFFAOYSA-N 0 3 253.262 -2.415 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccc(=O)n(C)n1 ZINC001150130165 779787478 /nfs/dbraw/zinc/78/74/78/779787478.db2.gz LGPVRARFZOARJE-MRVPVSSYSA-N 0 3 281.316 -1.766 20 0 CAADHN CO[C@@H](C)CN1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150220429 779788372 /nfs/dbraw/zinc/78/83/72/779788372.db2.gz WHZRAVHCCCBKLS-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN COCCN1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150218664 779788469 /nfs/dbraw/zinc/78/84/69/779788469.db2.gz IPHVAOCQNNQWRY-SECBINFHSA-N 0 3 259.306 -1.675 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cn1cncn1 ZINC001150250001 779788985 /nfs/dbraw/zinc/78/89/85/779788985.db2.gz LWRNQYBTBGHYMX-MRVPVSSYSA-N 0 3 297.319 -2.172 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)Cn2cncn2)C1=O ZINC001150249846 779789026 /nfs/dbraw/zinc/78/90/26/779789026.db2.gz GTJGQWFMKCEUIS-SECBINFHSA-N 0 3 266.305 -1.785 20 0 CAADHN CO[C@@H](C)CN1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150220432 779789054 /nfs/dbraw/zinc/78/90/54/779789054.db2.gz WHZRAVHCCCBKLS-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CCOCCN1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150233902 779789067 /nfs/dbraw/zinc/78/90/67/779789067.db2.gz PYNAYSJQTBGJBW-SNVBAGLBSA-N 0 3 273.333 -1.285 20 0 CAADHN COC[C@@H](C)N1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150234367 779789328 /nfs/dbraw/zinc/78/93/28/779789328.db2.gz SEAMVEQREUOINX-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN O=C(Cn1cncn1)NCCN[C@@H]1CCNC1=O ZINC001150260734 779790010 /nfs/dbraw/zinc/79/00/10/779790010.db2.gz GDHKVZWUOASFCZ-MRVPVSSYSA-N 0 3 252.278 -2.128 20 0 CAADHN COC[C@@H](OC)C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150283267 779790324 /nfs/dbraw/zinc/79/03/24/779790324.db2.gz SQMDFPJDRWJKTR-VXGBXAGGSA-N 0 3 290.360 -1.153 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)Cn2cncn2)C1=O ZINC001150260873 779790463 /nfs/dbraw/zinc/79/04/63/779790463.db2.gz IFAKPBOPYFVCKL-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NCCN[C@H]1CCNC1=O ZINC001150331195 779791422 /nfs/dbraw/zinc/79/14/22/779791422.db2.gz ILLILNJNEHQSTD-ZETCQYMHSA-N 0 3 283.288 -2.868 20 0 CAADHN CC[C@H](F)CNCCNC(=O)CN1C(=O)CNC1=O ZINC001150331658 779791634 /nfs/dbraw/zinc/79/16/34/779791634.db2.gz MDOSGJDKVDKGPL-QMMMGPOBSA-N 0 3 274.296 -1.008 20 0 CAADHN CN1CC(=O)N(CC(=O)NCCN[C@@H]2CCNC2=O)C1=O ZINC001150332016 779791781 /nfs/dbraw/zinc/79/17/81/779791781.db2.gz QJIZPJLCYBWPTN-MRVPVSSYSA-N 0 3 297.315 -2.525 20 0 CAADHN CC[C@H](NCCNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001150338959 779791914 /nfs/dbraw/zinc/79/19/14/779791914.db2.gz HENMLZCIOQQLND-ZETCQYMHSA-N 0 3 285.304 -2.492 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CN1C(=O)CNC1=O ZINC001150349711 779791992 /nfs/dbraw/zinc/79/19/92/779791992.db2.gz BKNCHFVVCYUDJN-UHFFFAOYSA-N 0 3 299.331 -2.231 20 0 CAADHN CN1CC(=O)N(CC(=O)NCCNCCF)C1=O ZINC001150331909 779792108 /nfs/dbraw/zinc/79/21/08/779792108.db2.gz OCMJBDVEJVTHJH-UHFFFAOYSA-N 0 3 260.269 -1.444 20 0 CAADHN Cn1cncc1CNCCNC(=O)CN1C(=O)CNC1=O ZINC001150344711 779792040 /nfs/dbraw/zinc/79/20/40/779792040.db2.gz JDXYDIOJKOOZNZ-UHFFFAOYSA-N 0 3 294.315 -1.822 20 0 CAADHN C[C@@H](NCCNC(=O)CN1C(=O)CNC1=O)C(=O)N(C)C ZINC001150340121 779792141 /nfs/dbraw/zinc/79/21/41/779792141.db2.gz XNCFEIIKAMVRPK-MRVPVSSYSA-N 0 3 299.331 -2.279 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150400843 779792445 /nfs/dbraw/zinc/79/24/45/779792445.db2.gz SLBADVIWGAJNPQ-YUMQZZPRSA-N 0 3 299.331 -2.185 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CCCCCC1=O ZINC001150371850 779792586 /nfs/dbraw/zinc/79/25/86/779792586.db2.gz ADFUTXSSHPNBSD-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)NCCN[C@@H]1CCNC1=O ZINC001150400036 779792672 /nfs/dbraw/zinc/79/26/72/779792672.db2.gz LBRZSZHWUWCSTJ-SFYZADRCSA-N 0 3 297.315 -2.431 20 0 CAADHN O=C(CNCCNC(=O)CN1C(=O)CNC1=O)NC1CC1 ZINC001150349780 779792685 /nfs/dbraw/zinc/79/26/85/779792685.db2.gz FXAUEKFRHZFIHW-UHFFFAOYSA-N 0 3 297.315 -2.477 20 0 CAADHN CCNC(=O)CNCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150399958 779792706 /nfs/dbraw/zinc/79/27/06/779792706.db2.gz JQZMEZDLCUIGBQ-QMMMGPOBSA-N 0 3 299.331 -2.184 20 0 CAADHN CCNC(=O)CNCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150399953 779792721 /nfs/dbraw/zinc/79/27/21/779792721.db2.gz JQZMEZDLCUIGBQ-MRVPVSSYSA-N 0 3 299.331 -2.184 20 0 CAADHN CC[C@H](NCCNC(=O)CC[C@H]1NC(=O)NC1=O)C(N)=O ZINC001150413260 779792812 /nfs/dbraw/zinc/79/28/12/779792812.db2.gz AROKNLATXUDWKY-JGVFFNPUSA-N 0 3 299.331 -2.056 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)NCCN[C@@H]1CCNC1=O ZINC001150400033 779792884 /nfs/dbraw/zinc/79/28/84/779792884.db2.gz LBRZSZHWUWCSTJ-HTQZYQBOSA-N 0 3 297.315 -2.431 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150400840 779792916 /nfs/dbraw/zinc/79/29/16/779792916.db2.gz SLBADVIWGAJNPQ-JGVFFNPUSA-N 0 3 299.331 -2.185 20 0 CAADHN NC(=O)CNCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150401427 779793078 /nfs/dbraw/zinc/79/30/78/779793078.db2.gz WYWKSRYWOUHYMU-LURJTMIESA-N 0 3 271.277 -2.834 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150401097 779793093 /nfs/dbraw/zinc/79/30/93/779793093.db2.gz UARRDFFSDXWQLY-MRVPVSSYSA-N 0 3 299.331 -2.231 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCCCCC1=O)C(N)=O ZINC001150371864 779793111 /nfs/dbraw/zinc/79/31/11/779793111.db2.gz AQTSDLVZKHXZPG-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN NC(=O)NCCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001150413517 779793212 /nfs/dbraw/zinc/79/32/12/779793212.db2.gz FUEGYCIQDXUBRZ-UHFFFAOYSA-N 0 3 299.375 -1.333 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)CCNC(N)=O ZINC001150413545 779793286 /nfs/dbraw/zinc/79/32/86/779793286.db2.gz GQRNCABIBZVVHK-UHFFFAOYSA-N 0 3 287.364 -1.335 20 0 CAADHN C[C@H](NCCNC(=O)CC[C@H]1NC(=O)NC1=O)C(N)=O ZINC001150401172 779793441 /nfs/dbraw/zinc/79/34/41/779793441.db2.gz WDOUWBJUKIGOHA-NKWVEPMBSA-N 0 3 285.304 -2.446 20 0 CAADHN CC[C@@H](NCCNC(=O)CC[C@@H]1NC(=O)NC1=O)C(N)=O ZINC001150413262 779793468 /nfs/dbraw/zinc/79/34/68/779793468.db2.gz AROKNLATXUDWKY-SFYZADRCSA-N 0 3 299.331 -2.056 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CN1C(=O)CCC1=O ZINC001150473990 779795257 /nfs/dbraw/zinc/79/52/57/779795257.db2.gz XRRKUJSQBYPRHO-UHFFFAOYSA-N 0 3 298.343 -1.634 20 0 CAADHN C[C@H](NCCNC(=O)c1nccnc1C(N)=O)C(N)=O ZINC001150444109 779795315 /nfs/dbraw/zinc/79/53/15/779795315.db2.gz HPKSWYOUQWIRJU-LURJTMIESA-N 0 3 280.288 -2.231 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CN1C(=O)CCC1=O ZINC001150472448 779795347 /nfs/dbraw/zinc/79/53/47/779795347.db2.gz HNJIZDROWVYHDQ-UHFFFAOYSA-N 0 3 298.343 -1.681 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CN2C(=O)CCC2=O)C1=O ZINC001150467691 779795762 /nfs/dbraw/zinc/79/57/62/779795762.db2.gz WKMYBNNRZWZKAH-SECBINFHSA-N 0 3 296.327 -1.928 20 0 CAADHN C[C@@H](NCCNC(=O)c1nccnc1C(N)=O)C(N)=O ZINC001150444110 779796050 /nfs/dbraw/zinc/79/60/50/779796050.db2.gz HPKSWYOUQWIRJU-ZCFIWIBFSA-N 0 3 280.288 -2.231 20 0 CAADHN NC(=O)c1nccnc1C(=O)NCCNCCF ZINC001150450507 779796285 /nfs/dbraw/zinc/79/62/85/779796285.db2.gz NHAUGYSLJKUENV-UHFFFAOYSA-N 0 3 255.253 -1.136 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1C(=O)CCC1=O ZINC001150467818 779796373 /nfs/dbraw/zinc/79/63/73/779796373.db2.gz WKZYJYQWMKAXPG-UHFFFAOYSA-N 0 3 284.316 -2.071 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CN1C(=O)CCC1=O ZINC001150467606 779796428 /nfs/dbraw/zinc/79/64/28/779796428.db2.gz TVIKNGWPOKXPDZ-UHFFFAOYSA-N 0 3 299.287 -2.964 20 0 CAADHN O=C(CCn1cnnn1)NC[C@@H]1CN(CCO)CCCO1 ZINC001150499601 779796914 /nfs/dbraw/zinc/79/69/14/779796914.db2.gz YNBBDSUFEFYOHZ-LLVKDONJSA-N 0 3 298.347 -1.737 20 0 CAADHN CNC(=O)CNCCNC(=O)C1CCN(C(C)=O)CC1 ZINC001150526926 779797038 /nfs/dbraw/zinc/79/70/38/779797038.db2.gz VATFCHLDOBBUHJ-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C1CCN(C(N)=O)CC1 ZINC001150518217 779797093 /nfs/dbraw/zinc/79/70/93/779797093.db2.gz SRJJUJWHEHEOAK-UHFFFAOYSA-N 0 3 299.375 -1.429 20 0 CAADHN O=C(NCC1CC1)C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150515410 779797198 /nfs/dbraw/zinc/79/71/98/779797198.db2.gz BURLUKFEWZGJMV-GFCCVEGCSA-N 0 3 299.371 -1.288 20 0 CAADHN NC(=O)CNCCNC(=O)C1CCN(C(N)=O)CC1 ZINC001150517534 779798026 /nfs/dbraw/zinc/79/80/26/779798026.db2.gz KLRWFSBAEUAMLV-UHFFFAOYSA-N 0 3 271.321 -2.032 20 0 CAADHN O=C(Cn1ccccc1=O)NCCNCC(=O)N1CCC1 ZINC001150590368 779797476 /nfs/dbraw/zinc/79/74/76/779797476.db2.gz UJCGFWUWHYFGFA-UHFFFAOYSA-N 0 3 292.339 -1.214 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C1CCN(C(N)=O)CC1 ZINC001150517566 779797588 /nfs/dbraw/zinc/79/75/88/779797588.db2.gz LYNDKCHVPJPRCT-SECBINFHSA-N 0 3 299.375 -1.383 20 0 CAADHN CNC(=O)CNCCNC(=O)CCCN1C(=O)CNC1=O ZINC001150533009 779797689 /nfs/dbraw/zinc/79/76/89/779797689.db2.gz PMBGBDHNFKJAPZ-UHFFFAOYSA-N 0 3 299.331 -2.230 20 0 CAADHN CNC(=O)CNCCNC(=O)C1CCN(C(N)=O)CC1 ZINC001150509391 779797749 /nfs/dbraw/zinc/79/77/49/779797749.db2.gz MDLSQRSZRLBEIB-UHFFFAOYSA-N 0 3 285.348 -1.771 20 0 CAADHN O=C(Cn1ccccc1=O)NCCN[C@@H]1CCNC1=O ZINC001150597636 779797763 /nfs/dbraw/zinc/79/77/63/779797763.db2.gz PHJNHHQOVBARFK-SNVBAGLBSA-N 0 3 278.312 -1.557 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(CNC(N)=O)cc1 ZINC001150571926 779797977 /nfs/dbraw/zinc/79/79/77/779797977.db2.gz VDHBLGMPYITGFV-UHFFFAOYSA-N 0 3 293.327 -1.340 20 0 CAADHN O=C(CCn1cnnn1)NC[C@H]1CN(CCO)CCCO1 ZINC001150499602 779798121 /nfs/dbraw/zinc/79/81/21/779798121.db2.gz YNBBDSUFEFYOHZ-NSHDSACASA-N 0 3 298.347 -1.737 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(C(N)=O)cc1 ZINC001150753192 779798593 /nfs/dbraw/zinc/79/85/93/779798593.db2.gz HHRANVRLLVONOC-UHFFFAOYSA-N 0 3 264.285 -1.410 20 0 CAADHN CCCn1nc(C(=O)NCCN[C@H](C)C(N)=O)ccc1=O ZINC001150677111 779798760 /nfs/dbraw/zinc/79/87/60/779798760.db2.gz HPMSUNATLDRZJU-SECBINFHSA-N 0 3 295.343 -1.154 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1c(C)csc1=O ZINC001150790074 779798871 /nfs/dbraw/zinc/79/88/71/779798871.db2.gz YSDVBBBWONFWAH-UHFFFAOYSA-N 0 3 286.357 -1.330 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@@H]2CCNC2=O)cc1 ZINC001150754001 779799037 /nfs/dbraw/zinc/79/90/37/779799037.db2.gz XNTAQHZZSBKWOQ-LLVKDONJSA-N 0 3 290.323 -1.007 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1c2ccccc2oc1=O ZINC001150690132 779799241 /nfs/dbraw/zinc/79/92/41/779799241.db2.gz APSOHHKZIGGLFL-UHFFFAOYSA-N 0 3 292.295 -1.214 20 0 CAADHN O=C(Cn1cncn1)NC[C@@H]1CN(CCO)CCCO1 ZINC001150676929 779799419 /nfs/dbraw/zinc/79/94/19/779799419.db2.gz BZTPZVCNDKUQRE-LLVKDONJSA-N 0 3 283.332 -1.523 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccccc1-n1cnnn1 ZINC001150670656 779799577 /nfs/dbraw/zinc/79/95/77/779799577.db2.gz BOKAYHDVPUKWGL-UHFFFAOYSA-N 0 3 289.299 -1.533 20 0 CAADHN NC(=O)NCCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150691777 779799647 /nfs/dbraw/zinc/79/96/47/779799647.db2.gz GEMNAIZJHNXASB-SNVBAGLBSA-N 0 3 288.348 -1.756 20 0 CAADHN Cn1cc(C(=O)NCCNCC(N)=O)c(=O)[nH]c1=O ZINC001150978027 779799997 /nfs/dbraw/zinc/79/99/97/779799997.db2.gz NWOOOODJOYZIJY-UHFFFAOYSA-N 0 3 269.261 -2.709 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1c(C)nc(C)[nH]c1=O ZINC001150977054 779800697 /nfs/dbraw/zinc/80/06/97/779800697.db2.gz AIBDGGSMCIOYKY-UHFFFAOYSA-N 0 3 295.343 -1.207 20 0 CAADHN CC(C)(C)C(=O)NCC(=O)NCCNCC(N)=O ZINC001150839626 779800842 /nfs/dbraw/zinc/80/08/42/779800842.db2.gz HXSCNJSXRLINMK-UHFFFAOYSA-N 0 3 258.322 -1.660 20 0 CAADHN CC[C@H](NCCNC(=O)c1cn(C)c(=O)[nH]c1=O)C(N)=O ZINC001150984293 779800986 /nfs/dbraw/zinc/80/09/86/779800986.db2.gz PVZRWXWQTKVTGW-QMMMGPOBSA-N 0 3 297.315 -1.931 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150978407 779801117 /nfs/dbraw/zinc/80/11/17/779801117.db2.gz RVQOAASRZFHNQZ-UHFFFAOYSA-N 0 3 297.315 -2.107 20 0 CAADHN CNC(=O)C[NH2+]CC1CCN(C(=O)c2nc[n-]n2)CC1 ZINC001206636429 779801147 /nfs/dbraw/zinc/80/11/47/779801147.db2.gz ZWFUEXIFUNSTJP-UHFFFAOYSA-N 0 3 280.332 -1.008 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1nc2ncccn2n1)C(N)=O ZINC001151044023 779802273 /nfs/dbraw/zinc/80/22/73/779802273.db2.gz LISREVRVWHUWKJ-MRVPVSSYSA-N 0 3 291.315 -1.754 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccn(C)n1 ZINC001151083985 779802599 /nfs/dbraw/zinc/80/25/99/779802599.db2.gz JTFGDTPOGXODJC-UHFFFAOYSA-N 0 3 253.306 -1.124 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccn(C)n1 ZINC001151088204 779804410 /nfs/dbraw/zinc/80/44/10/779804410.db2.gz CQHFRMKOZKDRDY-UHFFFAOYSA-N 0 3 282.304 -1.805 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1ccn(C)n1 ZINC001151083994 779804728 /nfs/dbraw/zinc/80/47/28/779804728.db2.gz KDXXUDCMCXUJIE-UHFFFAOYSA-N 0 3 296.331 -1.415 20 0 CAADHN Cn1c(CNCCNC(=O)C2CC2)cc(=O)n(C)c1=O ZINC000131075505 779804787 /nfs/dbraw/zinc/80/47/87/779804787.db2.gz KLNSZPSQYNZCBB-UHFFFAOYSA-N 0 3 280.328 -1.300 20 0 CAADHN Cn1ccc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001151080013 779804948 /nfs/dbraw/zinc/80/49/48/779804948.db2.gz BWOIAIWPOLIAOV-UHFFFAOYSA-N 0 3 268.277 -2.066 20 0 CAADHN Cc1nccn1CC(=O)NCC[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC001151114748 779805030 /nfs/dbraw/zinc/80/50/30/779805030.db2.gz PSBIPHBBDNQUOC-UHFFFAOYSA-N 0 3 279.304 -1.079 20 0 CAADHN Cn1ccc(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001151089719 779805341 /nfs/dbraw/zinc/80/53/41/779805341.db2.gz UKYOBHPBHIBPPX-MRVPVSSYSA-N 0 3 251.290 -1.372 20 0 CAADHN C[C@H](NCCNC(=O)c1c[nH]c(C(N)=O)c1)C(N)=O ZINC001151174021 779805744 /nfs/dbraw/zinc/80/57/44/779805744.db2.gz LLYRYZAYFGFJKF-LURJTMIESA-N 0 3 267.289 -1.693 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151173991 779806001 /nfs/dbraw/zinc/80/60/01/779806001.db2.gz KHARTISQJGUKSN-UHFFFAOYSA-N 0 3 281.316 -1.479 20 0 CAADHN C[C@H](NCCNC(=O)c1c[nH]c(C(N)=O)c1)C(=O)N(C)C ZINC001151177810 779806389 /nfs/dbraw/zinc/80/63/89/779806389.db2.gz DODQTYLMEQMNBF-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN NC(=O)c1cc(C(=O)NCCN[C@H]2CCNC2=O)c[nH]1 ZINC001151174047 779806536 /nfs/dbraw/zinc/80/65/36/779806536.db2.gz MPHWGHURRBHFBS-QMMMGPOBSA-N 0 3 279.300 -1.679 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NCCNCC(N)=O ZINC001151156802 779806608 /nfs/dbraw/zinc/80/66/08/779806608.db2.gz HDGPIVOFYVEWTI-SNVBAGLBSA-N 0 3 272.349 -1.854 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)NCCN[C@@H]1CCNC1=O ZINC001151157953 779806634 /nfs/dbraw/zinc/80/66/34/779806634.db2.gz NQDZUGBPEDGPNE-NWDGAFQWSA-N 0 3 298.387 -1.451 20 0 CAADHN NC(=O)CNCCNC(=O)c1cncc(C(N)=O)c1 ZINC001151293530 779807572 /nfs/dbraw/zinc/80/75/72/779807572.db2.gz VRLJDHQEQIFRBH-UHFFFAOYSA-N 0 3 265.273 -2.015 20 0 CAADHN O=C(NCCNCc1cccnc1)[C@@H]1CCS(=O)(=O)N1 ZINC001151301690 779807756 /nfs/dbraw/zinc/80/77/56/779807756.db2.gz VRMLBHRTNKDNJT-NSHDSACASA-N 0 3 298.368 -1.021 20 0 CAADHN COCCC1(NC(=O)C(N)=O)CCN(CCO)CC1 ZINC001151281219 779807869 /nfs/dbraw/zinc/80/78/69/779807869.db2.gz HLTMZOOJVRQXRJ-UHFFFAOYSA-N 0 3 273.333 -1.549 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CS(=O)(=O)NC ZINC001151372489 779808589 /nfs/dbraw/zinc/80/85/89/779808589.db2.gz BKBBABVWUAFMAG-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN CC[C@@H](C)C(=O)NCC(=O)NCCN[C@H](C)C(N)=O ZINC001151345696 779808525 /nfs/dbraw/zinc/80/85/25/779808525.db2.gz IGOKPOXRYDUVMU-RKDXNWHRSA-N 0 3 272.349 -1.272 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNC(=O)[C@@H](C)CC ZINC001151367166 779808566 /nfs/dbraw/zinc/80/85/66/779808566.db2.gz ZAHZXNSUQNDXFB-JTQLQIEISA-N 0 3 286.376 -1.009 20 0 CAADHN CC[C@H](C)C(=O)NCC(=O)NCCN[C@H](C)C(N)=O ZINC001151345694 779808576 /nfs/dbraw/zinc/80/85/76/779808576.db2.gz IGOKPOXRYDUVMU-DTWKUNHWSA-N 0 3 272.349 -1.272 20 0 CAADHN Cc1nn2cccnc2c1C(=O)NCCNCC(N)=O ZINC001151336932 779808625 /nfs/dbraw/zinc/80/86/25/779808625.db2.gz LGNUZMSCFGAOSL-UHFFFAOYSA-N 0 3 276.300 -1.158 20 0 CAADHN Cc1nccc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001151323789 779808823 /nfs/dbraw/zinc/80/88/23/779808823.db2.gz CQKGMNKLNJHMON-UHFFFAOYSA-N 0 3 280.288 -1.701 20 0 CAADHN O=C(CCN1CCCC1=O)NCCN[C@@H]1CCCNC1=O ZINC001151354024 779808925 /nfs/dbraw/zinc/80/89/25/779808925.db2.gz JCTMUXHDSSTUGL-LLVKDONJSA-N 0 3 296.371 -1.017 20 0 CAADHN Cc1nccc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)n1 ZINC001151323504 779808995 /nfs/dbraw/zinc/80/89/95/779808995.db2.gz BACAINUGDQCTJX-VIFPVBQESA-N 0 3 291.311 -1.090 20 0 CAADHN NC(=O)c1cncc(C(=O)NCCN[C@@H]2CCNC2=O)c1 ZINC001151317902 779809044 /nfs/dbraw/zinc/80/90/44/779809044.db2.gz AAYLQAJCAHVFCN-SNVBAGLBSA-N 0 3 291.311 -1.612 20 0 CAADHN C[C@H](NCCNC(=O)CCN1CCCC1=O)C(N)=O ZINC001151354657 779809134 /nfs/dbraw/zinc/80/91/34/779809134.db2.gz ORYWKRYGZCSFHU-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)CNCCNC(=O)CCN1CCCC1=O ZINC001151344953 779809147 /nfs/dbraw/zinc/80/91/47/779809147.db2.gz AYHXVSLQDFJUTE-UHFFFAOYSA-N 0 3 270.333 -1.549 20 0 CAADHN O=C(CCN1CCCC1=O)NCCN[C@H]1CCCNC1=O ZINC001151354025 779809185 /nfs/dbraw/zinc/80/91/85/779809185.db2.gz JCTMUXHDSSTUGL-NSHDSACASA-N 0 3 296.371 -1.017 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCN1CCCC1=O ZINC001151353495 779809380 /nfs/dbraw/zinc/80/93/80/779809380.db2.gz CKQBLNGDEZDQGB-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN O=C(CCN1CCCC1=O)NCCN[C@H]1CCNC1=O ZINC001151354689 779809391 /nfs/dbraw/zinc/80/93/91/779809391.db2.gz QGRJTKDSLKFISX-JTQLQIEISA-N 0 3 282.344 -1.407 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCNCc1cnn(C)c1 ZINC001151373812 779809975 /nfs/dbraw/zinc/80/99/75/779809975.db2.gz YEHILIRRAHQVQN-UHFFFAOYSA-N 0 3 289.361 -1.825 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001206641041 779810110 /nfs/dbraw/zinc/81/01/10/779810110.db2.gz NWGXYZFUUWAEOZ-NXEZZACHSA-N 0 3 257.334 -1.059 20 0 CAADHN CC[C@H](NCCNC(=O)CS(=O)(=O)NC)C(N)=O ZINC001151390704 779810278 /nfs/dbraw/zinc/81/02/78/779810278.db2.gz NAEQOYFYFWSUBE-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN CC[C@H](C)C(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001151373787 779810322 /nfs/dbraw/zinc/81/03/22/779810322.db2.gz XMAAJZZGNKAFOW-UWVGGRQHSA-N 0 3 286.376 -1.011 20 0 CAADHN CC[C@@H](C)C(=O)NCC(=O)NCCN[C@H](C)C(=O)NC ZINC001151373786 779810368 /nfs/dbraw/zinc/81/03/68/779810368.db2.gz XMAAJZZGNKAFOW-NXEZZACHSA-N 0 3 286.376 -1.011 20 0 CAADHN CC(C)C(=O)N1CCC[C@H]1C(=O)NCCNCC(N)=O ZINC001151456640 779810391 /nfs/dbraw/zinc/81/03/91/779810391.db2.gz PZUDFDSWBZROEO-JTQLQIEISA-N 0 3 284.360 -1.176 20 0 CAADHN Cc1cc(C(=O)NCC(=O)NCCNCC(N)=O)c(C)o1 ZINC001151465921 779810558 /nfs/dbraw/zinc/81/05/58/779810558.db2.gz MHDRGPSOGFCSCC-UHFFFAOYSA-N 0 3 296.327 -1.183 20 0 CAADHN CC(C)C(=O)N1CCC[C@@H]1C(=O)NCCNCC(N)=O ZINC001151456641 779810672 /nfs/dbraw/zinc/81/06/72/779810672.db2.gz PZUDFDSWBZROEO-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001151390478 779810687 /nfs/dbraw/zinc/81/06/87/779810687.db2.gz HJLDKQFSULULAV-QMMMGPOBSA-N 0 3 292.361 -2.528 20 0 CAADHN CC[C@@H](NCCNC(=O)CS(=O)(=O)NC)C(N)=O ZINC001151390703 779810710 /nfs/dbraw/zinc/81/07/10/779810710.db2.gz NAEQOYFYFWSUBE-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)NCCNCC(N)=O ZINC001151587417 779811339 /nfs/dbraw/zinc/81/13/39/779811339.db2.gz TYLWOCZJWJCYHQ-SECBINFHSA-N 0 3 272.305 -2.575 20 0 CAADHN COCC[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001151530188 779811488 /nfs/dbraw/zinc/81/14/88/779811488.db2.gz UFZBQPWZHSHFGG-DTWKUNHWSA-N 0 3 288.348 -1.052 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)NCCN[C@H](C)C(N)=O ZINC001151586791 779812201 /nfs/dbraw/zinc/81/22/01/779812201.db2.gz MWUQEQFTWCAIAK-SCZZXKLOSA-N 0 3 286.332 -2.187 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001151737822 779812868 /nfs/dbraw/zinc/81/28/68/779812868.db2.gz FRNMHKLDJXGOBF-NXEZZACHSA-N 0 3 272.349 -1.713 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001151737828 779812899 /nfs/dbraw/zinc/81/28/99/779812899.db2.gz FRNMHKLDJXGOBF-VHSXEESVSA-N 0 3 272.349 -1.713 20 0 CAADHN NC(=O)CNCCNC(=O)c1noc2c1COCC2 ZINC001151693925 779813108 /nfs/dbraw/zinc/81/31/08/779813108.db2.gz XYNIXSAEFUHUNQ-UHFFFAOYSA-N 0 3 268.273 -1.448 20 0 CAADHN CNC(=O)CNCCNC(=O)c1noc2c1COCC2 ZINC001151693297 779813218 /nfs/dbraw/zinc/81/32/18/779813218.db2.gz GVZUYIGOOGLSBB-UHFFFAOYSA-N 0 3 282.300 -1.187 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCNCC(=O)N(C)C)C1 ZINC001151737429 779813524 /nfs/dbraw/zinc/81/35/24/779813524.db2.gz CZTAZPOHHLEOMF-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)NC(=O)c1ccco1)C(N)=O ZINC001151659273 779813553 /nfs/dbraw/zinc/81/35/53/779813553.db2.gz GHAVYUSAHWTYBD-IUCAKERBSA-N 0 3 296.327 -1.023 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001151737829 779813886 /nfs/dbraw/zinc/81/38/86/779813886.db2.gz FRNMHKLDJXGOBF-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN C[C@H](NCCNC(=O)Cc1ccc[nH]1)C(=O)NC(N)=O ZINC001151775073 779814306 /nfs/dbraw/zinc/81/43/06/779814306.db2.gz LMNZFVPNJNUWRV-QMMMGPOBSA-N 0 3 281.316 -1.154 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN[C@@H](C)C(=O)NC)C1 ZINC001151740489 779814828 /nfs/dbraw/zinc/81/48/28/779814828.db2.gz UQHDZBMPJUFLDG-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN CCN(CCn1cncn1)[C@H](C)CNC(=O)CNC(N)=O ZINC001151777297 779814853 /nfs/dbraw/zinc/81/48/53/779814853.db2.gz CVQPHMTZAOKYQI-SNVBAGLBSA-N 0 3 297.363 -1.227 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001151739337 779814929 /nfs/dbraw/zinc/81/49/29/779814929.db2.gz KYWNPLRUQVNHCO-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCNCC(=O)NC)C1 ZINC001151739852 779815158 /nfs/dbraw/zinc/81/51/58/779815158.db2.gz ODIZNUBKXCCJTB-JTQLQIEISA-N 0 3 272.349 -1.841 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C1CC1)N1CCOCC1 ZINC001151814721 779815296 /nfs/dbraw/zinc/81/52/96/779815296.db2.gz JYDBWYQWQOOFMG-CYBMUJFWSA-N 0 3 298.387 -1.451 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C1CC1)N1CCOCC1)C(N)=O ZINC001151815400 779815971 /nfs/dbraw/zinc/81/59/71/779815971.db2.gz UNLCIXKMPZGCGI-ZYHUDNBSSA-N 0 3 298.387 -1.323 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CN(CC)CCO1)C(N)=O ZINC001151740252 779816092 /nfs/dbraw/zinc/81/60/92/779816092.db2.gz QZMNSTSCVAHRPN-WDEREUQCSA-N 0 3 286.376 -1.323 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cccnc1C(N)=O ZINC001151967545 779816547 /nfs/dbraw/zinc/81/65/47/779816547.db2.gz RMZDDOUWQQLEML-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@H](NCCNC(=O)c1cccnc1C(N)=O)C(N)=O ZINC001151967542 779817568 /nfs/dbraw/zinc/81/75/68/779817568.db2.gz RLVJRJGPPSRBBH-ZETCQYMHSA-N 0 3 279.300 -1.626 20 0 CAADHN C[C@H](NCCNC(=O)CCS(=O)(=O)N(C)C)C(N)=O ZINC001152084548 779818624 /nfs/dbraw/zinc/81/86/24/779818624.db2.gz RBYJPWJWKMATAV-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN NC(=O)c1ncccc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001151968050 779818632 /nfs/dbraw/zinc/81/86/32/779818632.db2.gz ZXZXGVMVXLJNOM-SECBINFHSA-N 0 3 291.311 -1.612 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)c1ccccn1 ZINC001152066260 779818989 /nfs/dbraw/zinc/81/89/89/779818989.db2.gz FWMHYKQSWZPFJE-UHFFFAOYSA-N 0 3 293.327 -1.737 20 0 CAADHN C[C@H](C(=O)NCCN[C@H]1CCNC1=O)N1CCCCC1=O ZINC001152168000 779819539 /nfs/dbraw/zinc/81/95/39/779819539.db2.gz BQMMGBFQKSKCEL-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC001152091605 779819625 /nfs/dbraw/zinc/81/96/25/779819625.db2.gz RQPOJURVMWDOEO-SNVBAGLBSA-N 0 3 294.359 -1.399 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152156291 779819689 /nfs/dbraw/zinc/81/96/89/779819689.db2.gz OCQHTMYZBFRZPJ-NXEZZACHSA-N 0 3 294.359 -1.319 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H](C)C(N)=O)N1CCCCC1=O ZINC001152169843 779819798 /nfs/dbraw/zinc/81/97/98/779819798.db2.gz NWBJMZROPAJWPF-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCc2nncn2C1)C(N)=O ZINC001152156680 779819835 /nfs/dbraw/zinc/81/98/35/779819835.db2.gz PZRBUALURMXNID-BDAKNGLRSA-N 0 3 280.332 -1.580 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)N1CCCCC1=O)C(N)=O ZINC001152169844 779819970 /nfs/dbraw/zinc/81/99/70/779819970.db2.gz NWBJMZROPAJWPF-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN Cn1cc(CCC(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001152208584 779820001 /nfs/dbraw/zinc/82/00/01/779820001.db2.gz NEWFNGPJSOXYNO-UHFFFAOYSA-N 0 3 296.331 -1.747 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCc2nncn2C1)C(N)=O ZINC001152156636 779820035 /nfs/dbraw/zinc/82/00/35/779820035.db2.gz POZWJDMQQMCEIZ-VHSXEESVSA-N 0 3 294.359 -1.190 20 0 CAADHN CCCC(=O)N1CCC[C@@H]1C(=O)NCCNCC(N)=O ZINC001152102931 779820065 /nfs/dbraw/zinc/82/00/65/779820065.db2.gz QZWDLEUDELYLLY-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)N1CCCCC1=O)C(N)=O ZINC001152169841 779820155 /nfs/dbraw/zinc/82/01/55/779820155.db2.gz NWBJMZROPAJWPF-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](C(=O)NCCNCC(N)=O)N1CCCCC1=O ZINC001152169074 779820242 /nfs/dbraw/zinc/82/02/42/779820242.db2.gz HTBNWYGHHSELRN-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN Cc1nnc2n1C[C@H](C(=O)NCCNCC(N)=O)CC2 ZINC001152091691 779820477 /nfs/dbraw/zinc/82/04/77/779820477.db2.gz SUVVASQBULCLFF-SECBINFHSA-N 0 3 280.332 -1.660 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)NCc1ccco1 ZINC001152260807 779821024 /nfs/dbraw/zinc/82/10/24/779821024.db2.gz PKQPUUAGOMMVNX-UHFFFAOYSA-N 0 3 297.315 -1.730 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001152287889 779821256 /nfs/dbraw/zinc/82/12/56/779821256.db2.gz MTNUCERUXZKZHL-SECBINFHSA-N 0 3 299.375 -1.370 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)Cn1cncn1 ZINC001152254581 779821759 /nfs/dbraw/zinc/82/17/59/779821759.db2.gz RKZFYDLQHXMGJJ-UHFFFAOYSA-N 0 3 283.292 -3.415 20 0 CAADHN O=C(CNC(=O)C1CCC1)NCCN[C@@H]1CCCNC1=O ZINC001152303835 779822041 /nfs/dbraw/zinc/82/20/41/779822041.db2.gz FNOOEFDNJQNTKZ-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN O=C(CNC(=O)Cn1cncn1)NCCNCCF ZINC001152254939 779822058 /nfs/dbraw/zinc/82/20/58/779822058.db2.gz YXXJYDYVHABZIY-UHFFFAOYSA-N 0 3 272.284 -1.930 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CNC(=O)C1CCC1 ZINC001152303868 779822064 /nfs/dbraw/zinc/82/20/64/779822064.db2.gz GYWCVWVHEJDEBM-UHFFFAOYSA-N 0 3 299.331 -2.197 20 0 CAADHN CC[C@H](NCCNC(=O)CS(=O)(=O)CC)C(N)=O ZINC001152383521 779822311 /nfs/dbraw/zinc/82/23/11/779822311.db2.gz FFSNFOWWYJXJGT-QMMMGPOBSA-N 0 3 279.362 -1.609 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)C1CCC1)C(N)=O ZINC001152304417 779823008 /nfs/dbraw/zinc/82/30/08/779823008.db2.gz XTMYNTSJTGJWAO-MRVPVSSYSA-N 0 3 270.333 -1.518 20 0 CAADHN CCS(=O)(=O)CC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001152383180 779823088 /nfs/dbraw/zinc/82/30/88/779823088.db2.gz DEBVCVIXXMSTLJ-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)C1CCC1)C(N)=O ZINC001152304418 779823105 /nfs/dbraw/zinc/82/31/05/779823105.db2.gz XTMYNTSJTGJWAO-QMMMGPOBSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152409126 779823233 /nfs/dbraw/zinc/82/32/33/779823233.db2.gz AJUSHIPVYSSHHN-UHFFFAOYSA-N 0 3 283.292 -3.171 20 0 CAADHN CC(C)N(C)CC(=O)NCCNCc1nnnn1C ZINC001152439211 779823831 /nfs/dbraw/zinc/82/38/31/779823831.db2.gz FJUWRXIBDQYNJW-UHFFFAOYSA-N 0 3 269.353 -1.244 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(CC(N)=O)nn1)C(N)=O ZINC001152414752 779824123 /nfs/dbraw/zinc/82/41/23/779824123.db2.gz LMSULHNXLDCLLF-LURJTMIESA-N 0 3 283.292 -3.043 20 0 CAADHN CCN(CCn1cncn1)[C@H](C)CNC(=O)CC(N)=O ZINC001152507028 779825747 /nfs/dbraw/zinc/82/57/47/779825747.db2.gz PKKRNCIUSVMXCU-SNVBAGLBSA-N 0 3 282.348 -1.020 20 0 CAADHN CCOCCOCC(=O)NCCNCC(=O)NC ZINC001152502386 779825924 /nfs/dbraw/zinc/82/59/24/779825924.db2.gz YWRYTBYJFNXHRB-UHFFFAOYSA-N 0 3 261.322 -1.509 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CCC1=O ZINC001152507826 779826373 /nfs/dbraw/zinc/82/63/73/779826373.db2.gz FHHCTRCXQMOOIB-QMMMGPOBSA-N 0 3 299.331 -2.245 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(C)c(=O)n1C ZINC001152691175 779828458 /nfs/dbraw/zinc/82/84/58/779828458.db2.gz GPRPUSWQUPFWOH-UHFFFAOYSA-N 0 3 269.305 -2.211 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCCNC2=O)n(C)c1=O ZINC001152699305 779828843 /nfs/dbraw/zinc/82/88/43/779828843.db2.gz WEFLETVSFNCALE-SECBINFHSA-N 0 3 295.343 -1.678 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cn(C)c(=O)n1C ZINC001152712272 779828853 /nfs/dbraw/zinc/82/88/53/779828853.db2.gz LVHARTNXHFFQKX-QMMMGPOBSA-N 0 3 283.332 -1.822 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)c(=O)n1C)C(=O)N(C)C ZINC001152711334 779829023 /nfs/dbraw/zinc/82/90/23/779829023.db2.gz APEORGRJJHSAGN-SECBINFHSA-N 0 3 297.359 -1.480 20 0 CAADHN Cn1cncc1CNCCNC(=O)c1cn(C)c(=O)n1C ZINC001152691695 779829033 /nfs/dbraw/zinc/82/90/33/779829033.db2.gz SWLKRBQWBXUOSQ-UHFFFAOYSA-N 0 3 292.343 -1.023 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCCN1C(C)=O ZINC001152777721 779831066 /nfs/dbraw/zinc/83/10/66/779831066.db2.gz RMURCENEAJYSTC-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001152789914 779831372 /nfs/dbraw/zinc/83/13/72/779831372.db2.gz SNXRIXUZYBKUMU-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001152777435 779831644 /nfs/dbraw/zinc/83/16/44/779831644.db2.gz LFYXWHGSYBZXGG-VXGBXAGGSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1ccc(C(N)=O)cc1 ZINC001152964262 779833724 /nfs/dbraw/zinc/83/37/24/779833724.db2.gz WOFDFIFZFIARDT-UHFFFAOYSA-N 0 3 292.339 -1.220 20 0 CAADHN COCCOCCC(=O)NCCN[C@H](C)C(N)=O ZINC001153213485 779835922 /nfs/dbraw/zinc/83/59/22/779835922.db2.gz CWGZSGJWVLHPAG-SECBINFHSA-N 0 3 261.322 -1.381 20 0 CAADHN COCCOCCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001153219061 779836048 /nfs/dbraw/zinc/83/60/48/779836048.db2.gz IYBVWXOQJUAERZ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CN(CCNC(=O)c1ccc(C(N)=O)[nH]1)CCOCCO ZINC001153231860 779837014 /nfs/dbraw/zinc/83/70/14/779837014.db2.gz CUSINMKFNOYCAB-UHFFFAOYSA-N 0 3 298.343 -1.216 20 0 CAADHN NC(=O)CCCC(=O)NCCNCC(=O)N1CCC1 ZINC001153473920 779839916 /nfs/dbraw/zinc/83/99/16/779839916.db2.gz XUGXZOBLKDBBST-UHFFFAOYSA-N 0 3 270.333 -1.420 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(C(N)=O)nc1)C(N)=O ZINC001153520604 779840103 /nfs/dbraw/zinc/84/01/03/779840103.db2.gz NOUKJMSEWHMARI-SSDOTTSWSA-N 0 3 279.300 -1.626 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cn1ccnc1 ZINC001153488004 779840334 /nfs/dbraw/zinc/84/03/34/779840334.db2.gz ZKYMEEVJNSXJMT-UHFFFAOYSA-N 0 3 253.306 -1.323 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CCCC(N)=O ZINC001153471712 779840444 /nfs/dbraw/zinc/84/04/44/779840444.db2.gz DMAMBZJZKDXMTE-UHFFFAOYSA-N 0 3 272.349 -1.174 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cn1ccnc1 ZINC001153487608 779840501 /nfs/dbraw/zinc/84/05/01/779840501.db2.gz IENAEUCPPJEVSZ-UHFFFAOYSA-N 0 3 268.277 -2.216 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1ccnc1)C(N)=O ZINC001153500492 779840581 /nfs/dbraw/zinc/84/05/81/779840581.db2.gz MGKMWKFLUOXUAX-SECBINFHSA-N 0 3 253.306 -1.147 20 0 CAADHN O=C(CNCCNC(=O)Cn1ccnc1)NC1CC1 ZINC001153487962 779840639 /nfs/dbraw/zinc/84/06/39/779840639.db2.gz WBSCYHAYKIQWHW-UHFFFAOYSA-N 0 3 265.317 -1.133 20 0 CAADHN NC(=O)CCCC(=O)NCCNCC(=O)N1CCCC1 ZINC001153467929 779840711 /nfs/dbraw/zinc/84/07/11/779840711.db2.gz QHKLNKWCQCUPGY-UHFFFAOYSA-N 0 3 284.360 -1.030 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)CCCC(N)=O)C1=O ZINC001153462560 779840727 /nfs/dbraw/zinc/84/07/27/779840727.db2.gz YGIKVQWFTVTHAQ-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cn1ccnc1 ZINC001153500266 779840752 /nfs/dbraw/zinc/84/07/52/779840752.db2.gz HTANJOKWNLPPQO-SECBINFHSA-N 0 3 296.331 -1.567 20 0 CAADHN O=C(Cn1ccnc1)NCCN[C@@H]1CCNC1=O ZINC001153495663 779840882 /nfs/dbraw/zinc/84/08/82/779840882.db2.gz MRSLFYLAGOMNND-SECBINFHSA-N 0 3 251.290 -1.523 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)CCCC(N)=O)C1=O ZINC001153462559 779840982 /nfs/dbraw/zinc/84/09/82/779840982.db2.gz YGIKVQWFTVTHAQ-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1ccnc1)C(N)=O ZINC001153500493 779841005 /nfs/dbraw/zinc/84/10/05/779841005.db2.gz MGKMWKFLUOXUAX-VIFPVBQESA-N 0 3 253.306 -1.147 20 0 CAADHN C[C@H](NCCNC(=O)Cn1ccnc1)C(=O)NC(N)=O ZINC001153500293 779841301 /nfs/dbraw/zinc/84/13/01/779841301.db2.gz IZJRVQHMBODLDA-QMMMGPOBSA-N 0 3 282.304 -1.828 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCN1C(N)=O)C(=O)N(C)C ZINC001153585481 779841676 /nfs/dbraw/zinc/84/16/76/779841676.db2.gz ASIXOQNYYQCKHZ-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN Cc1nonc1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001153561400 779841759 /nfs/dbraw/zinc/84/17/59/779841759.db2.gz OTSDUBNUHWQTKS-UHFFFAOYSA-N 0 3 297.315 -1.444 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1nonc1C ZINC001153561435 779841845 /nfs/dbraw/zinc/84/18/45/779841845.db2.gz QKDZMHFJEMCMIN-UHFFFAOYSA-N 0 3 284.276 -1.847 20 0 CAADHN Cc1nonc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001153578036 779841879 /nfs/dbraw/zinc/84/18/79/779841879.db2.gz JPYRUMIKUMNIRJ-ZCFIWIBFSA-N 0 3 284.276 -1.719 20 0 CAADHN Cc1nonc1C(=O)NCCNCC(=O)NC(N)=O ZINC001153560436 779842104 /nfs/dbraw/zinc/84/21/04/779842104.db2.gz JEUCCBFPTYHAAN-UHFFFAOYSA-N 0 3 270.249 -2.108 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001153586655 779842282 /nfs/dbraw/zinc/84/22/82/779842282.db2.gz WIEXBCXIXVFBCS-SFYZADRCSA-N 0 3 271.321 -1.891 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1nonc1C ZINC001153561949 779842327 /nfs/dbraw/zinc/84/23/27/779842327.db2.gz VHJPQUHNYAELCV-UHFFFAOYSA-N 0 3 298.303 -1.457 20 0 CAADHN Cc1nonc1C(=O)NCCNCC(=O)N1CCC1 ZINC001153560393 779842393 /nfs/dbraw/zinc/84/23/93/779842393.db2.gz HYOIWFREVOOSFO-UHFFFAOYSA-N 0 3 267.289 -1.070 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@@H]2CCNC2=O)cn1 ZINC001153528521 779842518 /nfs/dbraw/zinc/84/25/18/779842518.db2.gz SNNVBNXOHRABCD-SNVBAGLBSA-N 0 3 291.311 -1.612 20 0 CAADHN NC(=O)N1CCC[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001153577548 779842658 /nfs/dbraw/zinc/84/26/58/779842658.db2.gz AYVWVXZOJAJAQD-JTQLQIEISA-N 0 3 297.359 -1.532 20 0 CAADHN C[C@H](NCCNC(=O)COC[C@H]1CCCO1)C(N)=O ZINC001153673851 779843175 /nfs/dbraw/zinc/84/31/75/779843175.db2.gz OUVZPEJUXUHKNN-VHSXEESVSA-N 0 3 273.333 -1.238 20 0 CAADHN NC(=O)CNCCNC(=O)CCNC(=O)[C@H]1CCCO1 ZINC001153597776 779843366 /nfs/dbraw/zinc/84/33/66/779843366.db2.gz GSGSPLULEGPVJS-SECBINFHSA-N 0 3 286.332 -2.137 20 0 CAADHN C[C@@H](NC(=O)C1CCC1)C(=O)NCCNCC(N)=O ZINC001153692299 779843390 /nfs/dbraw/zinc/84/33/90/779843390.db2.gz HRAUOTUYLJKVGX-MRVPVSSYSA-N 0 3 270.333 -1.518 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153586584 779843474 /nfs/dbraw/zinc/84/34/74/779843474.db2.gz VRJLYCSLQPBFLU-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)NC(=O)C1CCC1 ZINC001153693904 779843559 /nfs/dbraw/zinc/84/35/59/779843559.db2.gz VAPJNQXNYIRHMC-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153586296 779843612 /nfs/dbraw/zinc/84/36/12/779843612.db2.gz OCCRSKGKXHHUGG-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN NC(=O)N1CCC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001153586187 779843679 /nfs/dbraw/zinc/84/36/79/779843679.db2.gz KFADJGONWPSBAJ-BDAKNGLRSA-N 0 3 283.332 -1.876 20 0 CAADHN NC(=O)N1CCC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001153586188 779843716 /nfs/dbraw/zinc/84/37/16/779843716.db2.gz KFADJGONWPSBAJ-IUCAKERBSA-N 0 3 283.332 -1.876 20 0 CAADHN CNC(=O)CNCCNC(=O)COC[C@@H]1CCCO1 ZINC001153672688 779843763 /nfs/dbraw/zinc/84/37/63/779843763.db2.gz GBXFROSSCHGWAX-JTQLQIEISA-N 0 3 273.333 -1.366 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153586701 779843911 /nfs/dbraw/zinc/84/39/11/779843911.db2.gz XBHHLLQEIYIVKM-ZETCQYMHSA-N 0 3 257.294 -2.279 20 0 CAADHN C[C@H](NC(=O)C1CCC1)C(=O)NCCNCC(N)=O ZINC001153692302 779844004 /nfs/dbraw/zinc/84/40/04/779844004.db2.gz HRAUOTUYLJKVGX-QMMMGPOBSA-N 0 3 270.333 -1.518 20 0 CAADHN O=C(COC[C@H]1CCCO1)NCCN[C@@H]1CCNC1=O ZINC001153672692 779844144 /nfs/dbraw/zinc/84/41/44/779844144.db2.gz GDENHGNGXBZUCQ-GHMZBOCLSA-N 0 3 285.344 -1.224 20 0 CAADHN NC(=O)CNCCNC(=O)COC[C@H]1CCCO1 ZINC001153672451 779844274 /nfs/dbraw/zinc/84/42/74/779844274.db2.gz BUNJAQOKQOPJPM-SECBINFHSA-N 0 3 259.306 -1.627 20 0 CAADHN C[C@@H](NCCNC(=O)COC[C@H]1CCCO1)C(N)=O ZINC001153673849 779844342 /nfs/dbraw/zinc/84/43/42/779844342.db2.gz OUVZPEJUXUHKNN-NXEZZACHSA-N 0 3 273.333 -1.238 20 0 CAADHN Cn1cc(CCC(=O)NCCN[C@@H]2CCN(C)C2=O)nn1 ZINC001153770800 779844761 /nfs/dbraw/zinc/84/47/61/779844761.db2.gz KVJVWPCJFRMJDT-LLVKDONJSA-N 0 3 294.359 -1.316 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CCc1cn(C)nn1 ZINC001153761546 779844800 /nfs/dbraw/zinc/84/48/00/779844800.db2.gz NXZUNDKTLGWRJM-UHFFFAOYSA-N 0 3 296.375 -1.020 20 0 CAADHN Cn1cc(CCC(=O)NCCN[C@H]2CCCNC2=O)nn1 ZINC001153766162 779844832 /nfs/dbraw/zinc/84/48/32/779844832.db2.gz NPWZDMAWKUEWHF-NSHDSACASA-N 0 3 294.359 -1.268 20 0 CAADHN CCn1nc(C)c(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001153752889 779844856 /nfs/dbraw/zinc/84/48/56/779844856.db2.gz OOUJHZSEJKKNNS-VIFPVBQESA-N 0 3 280.332 -1.186 20 0 CAADHN CCn1nc(C)c(C(=O)NCCNCC(=O)NC)n1 ZINC001153752832 779844929 /nfs/dbraw/zinc/84/49/29/779844929.db2.gz MCEKXSBASPSLIZ-UHFFFAOYSA-N 0 3 268.321 -1.328 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](NC(C)=O)C(C)(C)C ZINC001153714920 779845175 /nfs/dbraw/zinc/84/51/75/779845175.db2.gz UZDJLWDYRVKJKC-LLVKDONJSA-N 0 3 286.376 -1.011 20 0 CAADHN Cn1cc(CCC(=O)NCCNCC(=O)N2CCC2)nn1 ZINC001153761342 779845562 /nfs/dbraw/zinc/84/55/62/779845562.db2.gz JAMPLPTXNJBQFV-UHFFFAOYSA-N 0 3 294.359 -1.314 20 0 CAADHN CCn1nc(C)c(C(=O)NCCNCC(N)=O)n1 ZINC001153752815 779845771 /nfs/dbraw/zinc/84/57/71/779845771.db2.gz LMFPQBDXRPRMOB-UHFFFAOYSA-N 0 3 254.294 -1.589 20 0 CAADHN Cn1cc(CCC(=O)NCCNCC(=O)NC(N)=O)nn1 ZINC001153762126 779845840 /nfs/dbraw/zinc/84/58/40/779845840.db2.gz VIOIICGYAWOSFT-UHFFFAOYSA-N 0 3 297.319 -2.352 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](CC(C)C)C(N)=O ZINC001153789817 779846215 /nfs/dbraw/zinc/84/62/15/779846215.db2.gz GDSIDFOASHVYFB-SNVBAGLBSA-N 0 3 286.376 -1.024 20 0 CAADHN CC[C@@H](NCCNC(=O)CCc1cn(C)nn1)C(N)=O ZINC001153770827 779846741 /nfs/dbraw/zinc/84/67/41/779846741.db2.gz MAGLFQOSOGKMDD-SNVBAGLBSA-N 0 3 282.348 -1.283 20 0 CAADHN CC(C)C[C@H](C(N)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001153790352 779846757 /nfs/dbraw/zinc/84/67/57/779846757.db2.gz UALAZTFOUZRNNJ-ZJUUUORDSA-N 0 3 284.360 -1.272 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H](C)N1CCOCC1)C(N)=O ZINC001153847868 779847552 /nfs/dbraw/zinc/84/75/52/779847552.db2.gz FCAFHOSWBSZNIQ-WDEREUQCSA-N 0 3 286.376 -1.323 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NCCN[C@@H]1CCCNC1=O ZINC001153882540 779848139 /nfs/dbraw/zinc/84/81/39/779848139.db2.gz IPXIWNFIEGIDGT-DTWKUNHWSA-N 0 3 296.327 -1.976 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)N1CCOCC1)C(N)=O ZINC001153841001 779848564 /nfs/dbraw/zinc/84/85/64/779848564.db2.gz POUNMLUVAGMLLL-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1[nH]cnc1C ZINC001153832297 779848709 /nfs/dbraw/zinc/84/87/09/779848709.db2.gz RGROSBNRRCNTEW-MRVPVSSYSA-N 0 3 296.331 -1.118 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153882864 779849110 /nfs/dbraw/zinc/84/91/10/779849110.db2.gz QDQWSAIAFDSKCT-ZCFIWIBFSA-N 0 3 299.287 -3.060 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NCCN[C@H]1CCNC1=O ZINC001153882852 779849229 /nfs/dbraw/zinc/84/92/29/779849229.db2.gz QALOQAZWGYCWDJ-SFYZADRCSA-N 0 3 282.300 -2.367 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153887320 779849325 /nfs/dbraw/zinc/84/93/25/779849325.db2.gz RWHPLWYAQNLEFO-VIFPVBQESA-N 0 3 298.343 -1.777 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CC(=O)NC1=O)C(=O)N(C)C ZINC001153886422 779849457 /nfs/dbraw/zinc/84/94/57/779849457.db2.gz AWWCYHQGTZYFHV-DTWKUNHWSA-N 0 3 298.343 -1.778 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@H]2CC(=O)NC2=O)C1=O ZINC001153887407 779849794 /nfs/dbraw/zinc/84/97/94/779849794.db2.gz UVMFITCXFFVIMY-DTWKUNHWSA-N 0 3 296.327 -2.024 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@@H]1CC(=O)NC1=O)C(N)=O ZINC001153886744 779849812 /nfs/dbraw/zinc/84/98/12/779849812.db2.gz ICWDOUFLPRRYDP-SFYZADRCSA-N 0 3 284.316 -1.991 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153883201 779850024 /nfs/dbraw/zinc/85/00/24/779850024.db2.gz ZBGLVBWWNJKNIH-QMMMGPOBSA-N 0 3 284.316 -2.167 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CC(=O)NC1=O)C(N)=O ZINC001153883090 779850066 /nfs/dbraw/zinc/85/00/66/779850066.db2.gz VSKZROFWMOSBLT-RNFRBKRXSA-N 0 3 270.289 -2.381 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001153930362 779850658 /nfs/dbraw/zinc/85/06/58/779850658.db2.gz ZDJRLNSCEGOKRJ-UHFFFAOYSA-N 0 3 265.273 -2.015 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(C(N)=O)ccn1 ZINC001153929805 779850681 /nfs/dbraw/zinc/85/06/81/779850681.db2.gz MGKYLNUXLVBIMG-UHFFFAOYSA-N 0 3 279.300 -1.754 20 0 CAADHN CNC(=O)CNCCNC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001153905262 779850830 /nfs/dbraw/zinc/85/08/30/779850830.db2.gz AUSNEAIROYJMFL-ZDUSSCGKSA-N 0 3 284.360 -1.113 20 0 CAADHN NC(=O)c1ccnc(C(=O)NCCN[C@@H]2CCNC2=O)c1 ZINC001153929565 779850889 /nfs/dbraw/zinc/85/08/89/779850889.db2.gz HQEISBDRCMOHOK-SECBINFHSA-N 0 3 291.311 -1.612 20 0 CAADHN CCC(CC)C(=O)NCC(=O)NCCNCC(=O)NC ZINC001153940897 779851266 /nfs/dbraw/zinc/85/12/66/779851266.db2.gz GYWYRUBFRUKPHF-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN C[C@@H](C(=O)NCCNCC(N)=O)c1cnn(C)c1 ZINC001154025931 779852342 /nfs/dbraw/zinc/85/23/42/779852342.db2.gz WDEXZVTXIOQKCY-MRVPVSSYSA-N 0 3 253.306 -1.285 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCCNCc1cnnn1C ZINC001154368438 779856647 /nfs/dbraw/zinc/85/66/47/779856647.db2.gz ARUHJCJKROCWLL-VIFPVBQESA-N 0 3 282.348 -1.064 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCCNCc1cnnn1C ZINC001154368437 779856817 /nfs/dbraw/zinc/85/68/17/779856817.db2.gz ARUHJCJKROCWLL-SECBINFHSA-N 0 3 282.348 -1.064 20 0 CAADHN Cn1ccc(CNCCCNC(=O)CNC(N)=O)n1 ZINC001154457682 779859139 /nfs/dbraw/zinc/85/91/39/779859139.db2.gz MPNUBNCQJJDUQH-UHFFFAOYSA-N 0 3 268.321 -1.316 20 0 CAADHN Cn1ccc(CNCCCNC(=O)Cn2cnnn2)n1 ZINC001154502659 779861663 /nfs/dbraw/zinc/86/16/63/779861663.db2.gz JKEKGHXKGYVINU-UHFFFAOYSA-N 0 3 278.320 -1.297 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@H]1COCCO1 ZINC001154856810 779865788 /nfs/dbraw/zinc/86/57/88/779865788.db2.gz BXHLVFVQKLAXEC-NSHDSACASA-N 0 3 283.332 -1.174 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@H]1COCCO1 ZINC001154856808 779866347 /nfs/dbraw/zinc/86/63/47/779866347.db2.gz BXHLVFVQKLAXEC-LLVKDONJSA-N 0 3 283.332 -1.174 20 0 CAADHN NCc1cn(-c2ccc(S(N)(=O)=O)nn2)cn1 ZINC001154910885 779866754 /nfs/dbraw/zinc/86/67/54/779866754.db2.gz PMYYWUHUKCTSNL-UHFFFAOYSA-N 0 3 254.275 -1.232 20 0 CAADHN CCN(CCN1C(=O)CNC1=O)[C@H](C)CNC(=O)C(N)=O ZINC001154967804 779868013 /nfs/dbraw/zinc/86/80/13/779868013.db2.gz AMJFWRFXJHCQEX-MRVPVSSYSA-N 0 3 299.331 -2.150 20 0 CAADHN CCN(CCn1cncn1)[C@H](C)CNC(=O)C(N)=O ZINC001154969786 779868330 /nfs/dbraw/zinc/86/83/30/779868330.db2.gz WBVFJFVWQNTXFH-SECBINFHSA-N 0 3 268.321 -1.410 20 0 CAADHN COC(=O)NCC(=O)NCCCNCc1cnnn1C ZINC001155129846 779869970 /nfs/dbraw/zinc/86/99/70/779869970.db2.gz VCLMMSUUZHGMPS-UHFFFAOYSA-N 0 3 284.320 -1.233 20 0 CAADHN CN1CCC[C@H]1C(=O)NCCCNCc1nnnn1C ZINC001155791602 779877182 /nfs/dbraw/zinc/87/71/82/779877182.db2.gz XRTZPRILACLRIL-JTQLQIEISA-N 0 3 281.364 -1.100 20 0 CAADHN Cn1nnc(CNCCCNC(=O)[C@H]2CCCN2C)n1 ZINC001155791551 779877464 /nfs/dbraw/zinc/87/74/64/779877464.db2.gz WNOMMYGSMVOGRV-SNVBAGLBSA-N 0 3 281.364 -1.100 20 0 CAADHN CCC(=O)NCC(=O)NCCCNCc1cnnn1C ZINC001155803166 779878092 /nfs/dbraw/zinc/87/80/92/779878092.db2.gz WZAIFBVDWDSUNT-UHFFFAOYSA-N 0 3 282.348 -1.063 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)c2cn(CC(N)=O)nn2)CCN1C ZINC001155894485 779878599 /nfs/dbraw/zinc/87/85/99/779878599.db2.gz VQSWNVQNYGIEER-SFYZADRCSA-N 0 3 266.305 -1.414 20 0 CAADHN CCN(CC(N)=O)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001155929720 779878787 /nfs/dbraw/zinc/87/87/87/779878787.db2.gz FQCQNJDPOLTJSW-SSDOTTSWSA-N 0 3 254.294 -1.270 20 0 CAADHN CCN(CC(N)=O)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001155929720 779878791 /nfs/dbraw/zinc/87/87/91/779878791.db2.gz FQCQNJDPOLTJSW-SSDOTTSWSA-N 0 3 254.294 -1.270 20 0 CAADHN NC(=O)CC(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001156011685 779880755 /nfs/dbraw/zinc/88/07/55/779880755.db2.gz APKLYCYIYFKUTO-UHFFFAOYSA-N 0 3 294.315 -1.614 20 0 CAADHN COc1nccc(CNCCCNC(=O)CC(N)=O)n1 ZINC001156011921 779881653 /nfs/dbraw/zinc/88/16/53/779881653.db2.gz IBIXGPFVVADGBU-UHFFFAOYSA-N 0 3 281.316 -1.044 20 0 CAADHN NC(=O)NC(=O)C[NH2+]CCCNC(=O)CCc1nnc[n-]1 ZINC001156328287 779883962 /nfs/dbraw/zinc/88/39/62/779883962.db2.gz LZOWALDBIVAKJS-UHFFFAOYSA-N 0 3 297.319 -1.972 20 0 CAADHN CNC(=O)C[NH2+]CCCNC(=O)CCc1nnc[n-]1 ZINC001156328247 779884137 /nfs/dbraw/zinc/88/41/37/779884137.db2.gz KWUQDKKEZAAPJM-UHFFFAOYSA-N 0 3 268.321 -1.421 20 0 CAADHN COC(=O)c1ccnc(N(C)S(=O)(=O)CCN)n1 ZINC001156231455 779884927 /nfs/dbraw/zinc/88/49/27/779884927.db2.gz HFTKEHIMPIAAPH-UHFFFAOYSA-N 0 3 274.302 -1.012 20 0 CAADHN C[C@H]([NH2+]CCCNC(=O)CCc1nnc[n-]1)C(N)=O ZINC001156336990 779884989 /nfs/dbraw/zinc/88/49/89/779884989.db2.gz WQYUNOADVDFDMB-QMMMGPOBSA-N 0 3 268.321 -1.293 20 0 CAADHN O=C(CCc1nnc[n-]1)NCCC[NH2+][C@H]1CCNC1=O ZINC001156328455 779885206 /nfs/dbraw/zinc/88/52/06/779885206.db2.gz UIODSFDDZNWVAH-VIFPVBQESA-N 0 3 280.332 -1.278 20 0 CAADHN CN(c1ncnc2c1nnn2C)S(=O)(=O)CCN ZINC001156238799 779885216 /nfs/dbraw/zinc/88/52/16/779885216.db2.gz OUKDONAANAMMCL-UHFFFAOYSA-N 0 3 271.306 -1.517 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001156516524 779887189 /nfs/dbraw/zinc/88/71/89/779887189.db2.gz IMKYMAVCZDAGJE-SNVBAGLBSA-N 0 3 294.359 -1.063 20 0 CAADHN CNC(=O)NCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001157005947 779893712 /nfs/dbraw/zinc/89/37/12/779893712.db2.gz JYQMORFZTRQHLW-MRVPVSSYSA-N 0 3 256.306 -1.495 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cccnc1C(N)=O ZINC001157004089 779893729 /nfs/dbraw/zinc/89/37/29/779893729.db2.gz OOORLLIEJDBRGI-MRVPVSSYSA-N 0 3 266.301 -1.167 20 0 CAADHN CN1C(=O)CN(CC(=O)N2CC(N[C@H]3CCOC3)C2)C1=O ZINC001157012114 779894062 /nfs/dbraw/zinc/89/40/62/779894062.db2.gz CNQLHRUHOLZNPU-VIFPVBQESA-N 0 3 296.327 -1.530 20 0 CAADHN CCn1nncc1CNCCCNC(=O)[C@H](C)NC(N)=O ZINC001157044885 779895318 /nfs/dbraw/zinc/89/53/18/779895318.db2.gz XGQOTCBGQBAYGH-VIFPVBQESA-N 0 3 297.363 -1.049 20 0 CAADHN CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001157323043 779899917 /nfs/dbraw/zinc/89/99/17/779899917.db2.gz KBFNRKOOCBRSDR-YUMQZZPRSA-N 0 3 298.351 -2.571 20 0 CAADHN CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cc(=O)[n-]c(=O)[nH]1 ZINC001157344076 779900547 /nfs/dbraw/zinc/90/05/47/779900547.db2.gz DERUQAJLZILGRR-ZETCQYMHSA-N 0 3 297.315 -1.139 20 0 CAADHN Cn1ccnc1CCNC(=O)[C@H](N)CCCNC(N)=O ZINC001157422751 779902658 /nfs/dbraw/zinc/90/26/58/779902658.db2.gz NCLASONLIGYAHS-SECBINFHSA-N 0 3 282.348 -1.145 20 0 CAADHN CN1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001157450486 779904053 /nfs/dbraw/zinc/90/40/53/779904053.db2.gz COUKBKYICWDCEH-SNVBAGLBSA-N 0 3 254.334 -1.909 20 0 CAADHN CN1CCN(C(=O)[C@H](N)CCCNC(N)=O)CC1 ZINC001157451234 779904179 /nfs/dbraw/zinc/90/41/79/779904179.db2.gz QDMIDYRSBFEDFN-SECBINFHSA-N 0 3 257.338 -1.464 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(C)C(=O)C1 ZINC001157484948 779904428 /nfs/dbraw/zinc/90/44/28/779904428.db2.gz IQXGZPBSYVWCHI-YUMQZZPRSA-N 0 3 299.331 -3.006 20 0 CAADHN NC[C@H](N)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157498204 779905274 /nfs/dbraw/zinc/90/52/74/779905274.db2.gz XLXKRXRLPBHIMT-VHSXEESVSA-N 0 3 270.333 -1.878 20 0 CAADHN CN1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1=O ZINC001157486296 779905552 /nfs/dbraw/zinc/90/55/52/779905552.db2.gz VKDKAVIULBRTJD-SECBINFHSA-N 0 3 268.317 -2.383 20 0 CAADHN NC[C@H](N)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157498203 779905758 /nfs/dbraw/zinc/90/57/58/779905758.db2.gz XLXKRXRLPBHIMT-UWVGGRQHSA-N 0 3 270.333 -1.878 20 0 CAADHN CNC(=O)NCCC(=O)NCCCNCc1cnnn1C ZINC001157501575 779905803 /nfs/dbraw/zinc/90/58/03/779905803.db2.gz CUMZUFGBXBBGFL-UHFFFAOYSA-N 0 3 297.363 -1.270 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CCn2cnnc2C1 ZINC001157508683 779906491 /nfs/dbraw/zinc/90/64/91/779906491.db2.gz WNFUVUSRZMTOSL-ASCAZGACSA-N 0 3 271.346 -1.284 20 0 CAADHN COC(=O)N1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001157507954 779907096 /nfs/dbraw/zinc/90/70/96/779907096.db2.gz MJINTFBVAJNGPP-SNVBAGLBSA-N 0 3 298.343 -1.773 20 0 CAADHN COCC1CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C1 ZINC001157520998 779907105 /nfs/dbraw/zinc/90/71/05/779907105.db2.gz DEZXIYAQYNMQEE-CBAPKCEASA-N 0 3 286.332 -2.201 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157529172 779907678 /nfs/dbraw/zinc/90/76/78/779907678.db2.gz YJIOYANXVKQTLM-SNVBAGLBSA-N 0 3 287.339 -1.373 20 0 CAADHN CN(CCO)C[C@H]1CCCCN1C(=O)CNC(N)=O ZINC001157529208 779907806 /nfs/dbraw/zinc/90/78/06/779907806.db2.gz RZTGNHVDXBMUKG-SNVBAGLBSA-N 0 3 272.349 -1.040 20 0 CAADHN CC1([NH3+])CN(C(=O)Cn2cc(F)c(=O)[n-]c2=O)C1 ZINC001157644588 779908876 /nfs/dbraw/zinc/90/88/76/779908876.db2.gz RQNRZFKKWIXZNJ-UHFFFAOYSA-N 0 3 256.237 -1.352 20 0 CAADHN CC(=O)N[C@@H](CO)C(=O)NCC(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157545676 779909309 /nfs/dbraw/zinc/90/93/09/779909309.db2.gz YLGJODTYDRAUOG-VGMNWLOBSA-N 0 3 290.295 -2.893 20 0 CAADHN N[C@H]1CN(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)C[C@H]1F ZINC001157545559 779909775 /nfs/dbraw/zinc/90/97/75/779909775.db2.gz WPOGCSXNKVSZLD-CSMHCCOUSA-N 0 3 272.280 -2.111 20 0 CAADHN Cn1c(C(=O)N2C[C@@H](F)[C@@H](N)C2)cc(=O)n(C)c1=O ZINC001157544608 779909879 /nfs/dbraw/zinc/90/98/79/779909879.db2.gz FXTLRPWWLYPZSU-RQJHMYQMSA-N 0 3 270.264 -1.795 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC(N(C)C)C1 ZINC001157689631 779910300 /nfs/dbraw/zinc/91/03/00/779910300.db2.gz VLFHJMCXWICFLP-CBAPKCEASA-N 0 3 258.322 -2.417 20 0 CAADHN C[C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CCCO1 ZINC001157703322 779910805 /nfs/dbraw/zinc/91/08/05/779910805.db2.gz NCCYKZPWFYETLY-WDEREUQCSA-N 0 3 269.345 -1.046 20 0 CAADHN COC(=O)[C@@H](N)CCC(=O)N(C)C[C@H]1CNCCO1 ZINC001157715564 779910955 /nfs/dbraw/zinc/91/09/55/779910955.db2.gz GRQXSFHHDCNTIK-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157729874 779911740 /nfs/dbraw/zinc/91/17/40/779911740.db2.gz IPDNGRPYGFVHCQ-OPRDCNLKSA-N 0 3 290.339 -1.059 20 0 CAADHN Cc1nc(CC(=O)NCCCNCc2nnnn2C)n[nH]1 ZINC001157737360 779912107 /nfs/dbraw/zinc/91/21/07/779912107.db2.gz ZNCYKNSCMOJKOK-UHFFFAOYSA-N 0 3 293.335 -1.525 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157729098 779912312 /nfs/dbraw/zinc/91/23/12/779912312.db2.gz CSBWCGVHKHRKJY-KWQFWETISA-N 0 3 285.327 -1.251 20 0 CAADHN C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)N(C)C[C@@H]1CNCCO1 ZINC001157721470 779912380 /nfs/dbraw/zinc/91/23/80/779912380.db2.gz YDAJEIIHLRQWCT-RNWYCLNJSA-N 0 3 299.371 -1.435 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCCC(=O)[C@H](F)C1 ZINC001157854832 779915002 /nfs/dbraw/zinc/91/50/02/779915002.db2.gz IRMZMYGTHNOSGE-NXEZZACHSA-N 0 3 285.319 -1.154 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)C1CC(C)C1 ZINC001157873852 779916419 /nfs/dbraw/zinc/91/64/19/779916419.db2.gz KMHIBYPMPIZVII-LRHRNSLUSA-N 0 3 284.360 -1.049 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157904346 779916693 /nfs/dbraw/zinc/91/66/93/779916693.db2.gz LAPYDOCTAWGAMA-BBBLOLIVSA-N 0 3 288.348 -2.036 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157904347 779917570 /nfs/dbraw/zinc/91/75/70/779917570.db2.gz LAPYDOCTAWGAMA-IVZWLZJFSA-N 0 3 288.348 -2.036 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCc2nc[nH]c2C1 ZINC001157922210 779917689 /nfs/dbraw/zinc/91/76/89/779917689.db2.gz HVXSIIBFKZPCGD-YUMQZZPRSA-N 0 3 281.316 -1.881 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157905992 779917751 /nfs/dbraw/zinc/91/77/51/779917751.db2.gz XXQPHOJAAULYMZ-DLOVCJGASA-N 0 3 282.344 -1.508 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157904805 779917767 /nfs/dbraw/zinc/91/77/67/779917767.db2.gz NZLHIIRWFWIHQV-NXOGIQQBSA-N 0 3 278.374 -1.716 20 0 CAADHN CN1CCN(C(=N)Nc2ccc(S(N)(=O)=O)nn2)CC1 ZINC001157916016 779917964 /nfs/dbraw/zinc/91/79/64/779917964.db2.gz JZQLNAQIHRTJBV-UHFFFAOYSA-N 0 3 299.360 -1.282 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157904344 779918022 /nfs/dbraw/zinc/91/80/22/779918022.db2.gz LAPYDOCTAWGAMA-AEJSXWLSSA-N 0 3 288.348 -2.036 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157935814 779918876 /nfs/dbraw/zinc/91/88/76/779918876.db2.gz WKQKEDIADASYDY-OUAUKWLOSA-N 0 3 285.344 -2.482 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@](C)(CO)[C@H](O)C1 ZINC001157943144 779920159 /nfs/dbraw/zinc/92/01/59/779920159.db2.gz BWQWKILBPNBYQG-XZUANODZSA-N 0 3 292.401 -1.326 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@](C)(CO)[C@@H](O)C1 ZINC001157943141 779920349 /nfs/dbraw/zinc/92/03/49/779920349.db2.gz BWQWKILBPNBYQG-AQIRSGFVSA-N 0 3 292.401 -1.326 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001157947530 779921232 /nfs/dbraw/zinc/92/12/32/779921232.db2.gz UTIWUWADMGRZRI-AQIRSGFVSA-N 0 3 292.401 -1.326 20 0 CAADHN C[C@]1(CO)CN(C(=O)[C@H]2COC3(CNC3)CN2)CC[C@H]1O ZINC001157947537 779921326 /nfs/dbraw/zinc/92/13/26/779921326.db2.gz UXBYNJLIIHEACC-NQBHXWOUSA-N 0 3 299.371 -2.091 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001157946869 779921348 /nfs/dbraw/zinc/92/13/48/779921348.db2.gz PCABWSPBFBVBIX-OUCADQQQSA-N 0 3 296.371 -1.118 20 0 CAADHN C[C@]1(CO)CN(C(=O)[C@@H]2COC3(CNC3)CN2)CC[C@@H]1O ZINC001157947536 779921438 /nfs/dbraw/zinc/92/14/38/779921438.db2.gz UXBYNJLIIHEACC-GMXVVIOVSA-N 0 3 299.371 -2.091 20 0 CAADHN NC[C@H](N)C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157969320 779922318 /nfs/dbraw/zinc/92/23/18/779922318.db2.gz LUFXSHNFPIOWBS-LURJTMIESA-N 0 3 268.239 -1.495 20 0 CAADHN CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001157998668 779923992 /nfs/dbraw/zinc/92/39/92/779923992.db2.gz YCIFVDPWQMPCDE-QWRGUYRKSA-N 0 3 295.343 -1.357 20 0 CAADHN C[C@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)C[C@@H]1O ZINC001157998024 779924077 /nfs/dbraw/zinc/92/40/77/779924077.db2.gz SVLAOZGMHYAUBN-YIZRAAEISA-N 0 3 258.322 -1.399 20 0 CAADHN CN1CCN(c2ccc(-n3nnnc3CN)nn2)CC1 ZINC001158074420 779924866 /nfs/dbraw/zinc/92/48/66/779924866.db2.gz FDBVEQBHZJJIKN-UHFFFAOYSA-N 0 3 275.320 -1.337 20 0 CAADHN CN1CCN(c2nccc(-n3nnnc3CN)n2)CC1 ZINC001158080060 779925586 /nfs/dbraw/zinc/92/55/86/779925586.db2.gz FFJOGMKYPOPYQX-UHFFFAOYSA-N 0 3 275.320 -1.337 20 0 CAADHN Cn1ccc(CNCCCNC(=O)Cn2ncnn2)n1 ZINC001158163409 779928384 /nfs/dbraw/zinc/92/83/84/779928384.db2.gz OYUTVQXLIPXMGO-UHFFFAOYSA-N 0 3 278.320 -1.297 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161469 779928568 /nfs/dbraw/zinc/92/85/68/779928568.db2.gz VSXNJOMDNXTMQI-JOYOIKCWSA-N 0 3 279.348 -1.186 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158161469 779928571 /nfs/dbraw/zinc/92/85/71/779928571.db2.gz VSXNJOMDNXTMQI-JOYOIKCWSA-N 0 3 279.348 -1.186 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(COC2)C1 ZINC001158170017 779928894 /nfs/dbraw/zinc/92/88/94/779928894.db2.gz YQEITDSPDDWLAH-IUCAKERBSA-N 0 3 298.343 -2.057 20 0 CAADHN Cn1ccnc1CNCCCNC(=O)Cn1ncnn1 ZINC001158163737 779929133 /nfs/dbraw/zinc/92/91/33/779929133.db2.gz YCPKPOAKAFVDBP-UHFFFAOYSA-N 0 3 278.320 -1.297 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168657 779929185 /nfs/dbraw/zinc/92/91/85/779929185.db2.gz WOJSVLCAJDJUOQ-HRDYMLBCSA-N 0 3 281.320 -2.484 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168657 779929191 /nfs/dbraw/zinc/92/91/91/779929191.db2.gz WOJSVLCAJDJUOQ-HRDYMLBCSA-N 0 3 281.320 -2.484 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCC2(COC2)C1 ZINC001158167995 779929615 /nfs/dbraw/zinc/92/96/15/779929615.db2.gz JTYLJRZXQWDKHO-JTQLQIEISA-N 0 3 267.329 -1.434 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187528 779930555 /nfs/dbraw/zinc/93/05/55/779930555.db2.gz UWCRJPOQKIDJFN-DSQUFTABSA-N 0 3 251.294 -1.981 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CC2CC1(C[NH3+])C2 ZINC001158187528 779930562 /nfs/dbraw/zinc/93/05/62/779930562.db2.gz UWCRJPOQKIDJFN-DSQUFTABSA-N 0 3 251.294 -1.981 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC2(C1)CCCO2 ZINC001158236233 779931351 /nfs/dbraw/zinc/93/13/51/779931351.db2.gz ZEXQEKGXNUKCLV-JTQLQIEISA-N 0 3 267.329 -1.292 20 0 CAADHN NC[C@H](N)C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158327233 779932367 /nfs/dbraw/zinc/93/23/67/779932367.db2.gz WHNACZCKHRYUSS-QMMMGPOBSA-N 0 3 256.306 -2.220 20 0 CAADHN NC1(C(=O)N2CCC3(CC2)COCC(=O)N3)CC1 ZINC001158327222 779932419 /nfs/dbraw/zinc/93/24/19/779932419.db2.gz VUFREJMFLPPZDG-UHFFFAOYSA-N 0 3 253.302 -1.015 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CCS(=O)(=O)CC1 ZINC001158369419 779933142 /nfs/dbraw/zinc/93/31/42/779933142.db2.gz MJJBMEKHMCFNGQ-SECBINFHSA-N 0 3 272.330 -1.464 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158338459 779933187 /nfs/dbraw/zinc/93/31/87/779933187.db2.gz ATRGVGOHCKPUBH-WOPDTQHZSA-N 0 3 281.356 -1.046 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CC[C@@H]2CCO[C@H]2C1 ZINC001158338457 779933262 /nfs/dbraw/zinc/93/32/62/779933262.db2.gz ATRGVGOHCKPUBH-UTUOFQBUSA-N 0 3 281.356 -1.046 20 0 CAADHN CN(CCOCCO)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158411770 779934032 /nfs/dbraw/zinc/93/40/32/779934032.db2.gz IQPQONQQCJLTBU-LLVKDONJSA-N 0 3 287.360 -1.207 20 0 CAADHN NCc1cnnn1-c1cc(N2CCC[C@@H]2C(N)=O)ncn1 ZINC001158427817 779934651 /nfs/dbraw/zinc/93/46/51/779934651.db2.gz FSQQHEXMYGSMCA-SECBINFHSA-N 0 3 288.315 -1.030 20 0 CAADHN COC[C@H](O)CN(C)C[C@H]1CCCCN1C(=O)C(N)=O ZINC001158412427 779934932 /nfs/dbraw/zinc/93/49/32/779934932.db2.gz KHPPTFDHAILMPI-GHMZBOCLSA-N 0 3 287.360 -1.208 20 0 CAADHN CN(C[C@@H](O)CO)C(=O)[C@H](N)CCCNC(N)=O ZINC001158798196 779938803 /nfs/dbraw/zinc/93/88/03/779938803.db2.gz GIVRFVQJZZQFBC-HTQZYQBOSA-N 0 3 262.310 -2.426 20 0 CAADHN CN(C[C@@H](O)CO)C(=O)[C@@H](N)CC[S@@](C)=O ZINC001158799226 779938875 /nfs/dbraw/zinc/93/88/75/779938875.db2.gz LDCRHDXJIQSLLE-WLOPVIGXSA-N 0 3 252.336 -2.106 20 0 CAADHN CN(C[C@H](O)CO)C(=O)[C@@H](N)CC[S@](C)=O ZINC001158799225 779939035 /nfs/dbraw/zinc/93/90/35/779939035.db2.gz LDCRHDXJIQSLLE-UFIJUMAVSA-N 0 3 252.336 -2.106 20 0 CAADHN CN(C[C@@H](O)CO)C(=O)[C@@H](N)CC[S@](C)=O ZINC001158799219 779939073 /nfs/dbraw/zinc/93/90/73/779939073.db2.gz LDCRHDXJIQSLLE-BJLCURGVSA-N 0 3 252.336 -2.106 20 0 CAADHN CN(C[C@H](O)CO)C(=O)[C@H](N)CCCNC(N)=O ZINC001158798197 779939123 /nfs/dbraw/zinc/93/91/23/779939123.db2.gz GIVRFVQJZZQFBC-JGVFFNPUSA-N 0 3 262.310 -2.426 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(C)C[C@@H](O)CO ZINC001158798113 779939162 /nfs/dbraw/zinc/93/91/62/779939162.db2.gz FIARJOPEMPKYLW-NGZCFLSTSA-N 0 3 275.349 -1.712 20 0 CAADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CO ZINC001158799901 779940058 /nfs/dbraw/zinc/94/00/58/779940058.db2.gz QFGZCANWIDCUTF-AXFHLTTASA-N 0 3 289.376 -1.324 20 0 CAADHN CN(C[C@@H](O)CO)C(=O)CN1CCCC[C@H](N)C1=O ZINC001158800260 779940363 /nfs/dbraw/zinc/94/03/63/779940363.db2.gz SYSDOPBVJDXWTL-ZJUUUORDSA-N 0 3 273.333 -1.862 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)C[C@H](O)CO ZINC001158799366 779940102 /nfs/dbraw/zinc/94/01/02/779940102.db2.gz MXKUECLTHWVLIB-FXQIFTODSA-N 0 3 290.320 -3.495 20 0 CAADHN CN(C[C@@H](O)CO)C(=O)[C@@H](N)Cc1cncn1C ZINC001158800310 779940317 /nfs/dbraw/zinc/94/03/17/779940317.db2.gz UPQSNDKIUUWQNT-ZJUUUORDSA-N 0 3 256.306 -1.899 20 0 CAADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CO ZINC001158799902 779940344 /nfs/dbraw/zinc/94/03/44/779940344.db2.gz QFGZCANWIDCUTF-DCAQKATOSA-N 0 3 289.376 -1.324 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC001158803198 779940395 /nfs/dbraw/zinc/94/03/95/779940395.db2.gz DSYAPLJAEQVSCJ-XQQFMLRXSA-N 0 3 293.371 -1.169 20 0 CAADHN CN(C[C@H](O)CO)C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001158799836 779940407 /nfs/dbraw/zinc/94/04/07/779940407.db2.gz POPFXAPJSCNXAI-TVUZUIDESA-N 0 3 260.334 -1.324 20 0 CAADHN CN1CCO[C@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]21 ZINC001158803780 779940542 /nfs/dbraw/zinc/94/05/42/779940542.db2.gz IIMUKCMMYFOMBU-TUAOUCFPSA-N 0 3 296.371 -2.142 20 0 CAADHN CN(C[C@H](O)CO)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001158800086 779940564 /nfs/dbraw/zinc/94/05/64/779940564.db2.gz RIOWIVXTIFCXOP-DTWKUNHWSA-N 0 3 259.306 -2.872 20 0 CAADHN NC[C@H](N)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968684 779941063 /nfs/dbraw/zinc/94/10/63/779941063.db2.gz WHEMUUUMLHZYEQ-AXFHLTTASA-N 0 3 292.343 -1.821 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCc1nnc[nH]1 ZINC001159160467 779943814 /nfs/dbraw/zinc/94/38/14/779943814.db2.gz PVEWTJSVFKXLMJ-ZJUUUORDSA-N 0 3 264.333 -1.148 20 0 CAADHN CNC(=O)NCC(=O)NCCCNCc1nccn1C ZINC001159334363 779946782 /nfs/dbraw/zinc/94/67/82/779946782.db2.gz CSJMNHQWLJNFQO-UHFFFAOYSA-N 0 3 282.348 -1.055 20 0 CAADHN CNC(=O)NCC(=O)NCCCNCc1cnnn1C ZINC001159341223 779947349 /nfs/dbraw/zinc/94/73/49/779947349.db2.gz NIBFRZGPYRMNOL-UHFFFAOYSA-N 0 3 283.336 -1.660 20 0 CAADHN CCn1nncc1CNCCCNC(=O)CNC(=O)NC ZINC001159341392 779947367 /nfs/dbraw/zinc/94/73/67/779947367.db2.gz VKHHVKCVZIWCRV-UHFFFAOYSA-N 0 3 297.363 -1.177 20 0 CAADHN NC[C@H](N)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598948 779949915 /nfs/dbraw/zinc/94/99/15/779949915.db2.gz HHXQFXKLVDICBR-WRWGMCAJSA-N 0 3 296.371 -1.586 20 0 CAADHN C[C@H](Nc1ccc(S(N)(=O)=O)nn1)[C@H]1CNCCO1 ZINC001159502953 779950010 /nfs/dbraw/zinc/95/00/10/779950010.db2.gz REMOMUGYAYJSFX-JGVFFNPUSA-N 0 3 287.345 -1.087 20 0 CAADHN C[C@@H](Nc1ccc(S(N)(=O)=O)nn1)[C@H]1CNCCO1 ZINC001159502952 779950402 /nfs/dbraw/zinc/95/04/02/779950402.db2.gz REMOMUGYAYJSFX-HTQZYQBOSA-N 0 3 287.345 -1.087 20 0 CAADHN CN1C[C@@H]2CN(C(=O)[C@@H](N)Cc3c[nH]cn3)C[C@@H]2C1=O ZINC001159887504 779952431 /nfs/dbraw/zinc/95/24/31/779952431.db2.gz WJJADVNRYFPDEB-MIMYLULJSA-N 0 3 277.328 -1.174 20 0 CAADHN CN1C[C@@H]2CN(C(=O)[C@@H](N)Cc3cnc[nH]3)C[C@@H]2C1=O ZINC001159887504 779952437 /nfs/dbraw/zinc/95/24/37/779952437.db2.gz WJJADVNRYFPDEB-MIMYLULJSA-N 0 3 277.328 -1.174 20 0 CAADHN CC(=O)NCc1nnc2n1CCN(C(=O)C1(N)CC1)C2 ZINC001159931056 779952476 /nfs/dbraw/zinc/95/24/76/779952476.db2.gz VYBHLGQQAADAPO-UHFFFAOYSA-N 0 3 278.316 -1.252 20 0 CAADHN CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H](N)CN)C2 ZINC001159929231 779953226 /nfs/dbraw/zinc/95/32/26/779953226.db2.gz GULFZHVJBMNXOR-QMMMGPOBSA-N 0 3 281.320 -2.458 20 0 CAADHN CN1C[C@@H]2CN(C(=O)[C@@H](N)CC[S@@](C)=O)C[C@@H]2C1=O ZINC001159884333 779953414 /nfs/dbraw/zinc/95/34/14/779953414.db2.gz CIRMHMHXJOODJE-ONYJAPRBSA-N 0 3 287.385 -1.371 20 0 CAADHN CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@@H](N)CN)CC2 ZINC001159862917 779953494 /nfs/dbraw/zinc/95/34/94/779953494.db2.gz HFLJWDIMGBIJFH-ZJUUUORDSA-N 0 3 268.361 -1.011 20 0 CAADHN CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H](N)CN)CCO2 ZINC001160179183 779955719 /nfs/dbraw/zinc/95/57/19/779955719.db2.gz KFKOBCPJIQBLOS-AAEUAGOBSA-N 0 3 284.360 -1.488 20 0 CAADHN CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H](N)CN)C2 ZINC001160171745 779956344 /nfs/dbraw/zinc/95/63/44/779956344.db2.gz QQTZVFFNNNZLAR-JOYOIKCWSA-N 0 3 283.332 -2.778 20 0 CAADHN CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H](C)N)C2 ZINC001160171644 779956370 /nfs/dbraw/zinc/95/63/70/779956370.db2.gz PUZKYEDVKDKRAA-PELKAZGASA-N 0 3 268.317 -1.717 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)C(C)(C)C ZINC001160427252 779958473 /nfs/dbraw/zinc/95/84/73/779958473.db2.gz LIFAYYLSLYXNFJ-YUMQZZPRSA-N 0 3 272.349 -1.049 20 0 CAADHN NC[C@H](N)C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160403667 779958693 /nfs/dbraw/zinc/95/86/93/779958693.db2.gz DMQUVBMTFLEGOO-NNYUYHANSA-N 0 3 269.345 -1.075 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@H]1CCCNC1=O ZINC001160435520 779959329 /nfs/dbraw/zinc/95/93/29/779959329.db2.gz YPQNLUWOARRKBT-NSHDSACASA-N 0 3 294.359 -1.063 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@H]1CCCNC1=O ZINC001160435519 779959738 /nfs/dbraw/zinc/95/97/38/779959738.db2.gz YPQNLUWOARRKBT-LLVKDONJSA-N 0 3 294.359 -1.063 20 0 CAADHN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CNCCN1 ZINC001160440679 779960027 /nfs/dbraw/zinc/96/00/27/779960027.db2.gz SAVXKLVHHOBFLP-UWVGGRQHSA-N 0 3 298.343 -2.172 20 0 CAADHN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](C)N ZINC001160438662 779960059 /nfs/dbraw/zinc/96/00/59/779960059.db2.gz ALBXNZUAGXUNEG-SFYZADRCSA-N 0 3 257.290 -1.386 20 0 CAADHN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)CN ZINC001160439301 779960121 /nfs/dbraw/zinc/96/01/21/779960121.db2.gz JMQNJDAFULCDCP-YUMQZZPRSA-N 0 3 272.305 -2.447 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001160452002 779960637 /nfs/dbraw/zinc/96/06/37/779960637.db2.gz WPIAPZARLWKYCT-CBAPKCEASA-N 0 3 251.290 -1.374 20 0 CAADHN NC(=O)N1CCN(C(=O)[C@H](N)Cc2c[nH]cn2)CC1 ZINC001160456563 779961040 /nfs/dbraw/zinc/96/10/40/779961040.db2.gz NFXJOCBFWCZMMO-SECBINFHSA-N 0 3 266.305 -1.498 20 0 CAADHN NC(=O)N1CCN(C(=O)[C@H](N)Cc2cnc[nH]2)CC1 ZINC001160456563 779961047 /nfs/dbraw/zinc/96/10/47/779961047.db2.gz NFXJOCBFWCZMMO-SECBINFHSA-N 0 3 266.305 -1.498 20 0 CAADHN CCN(CCC(N)=O)C(=O)[C@@H](N)CC[S@@](C)=O ZINC001160470715 779961135 /nfs/dbraw/zinc/96/11/35/779961135.db2.gz FQFVVIZHAWBKPE-WNWIJWBNSA-N 0 3 263.363 -1.194 20 0 CAADHN NC[C@H](N)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001160482979 779962634 /nfs/dbraw/zinc/96/26/34/779962634.db2.gz DFHSTAUISIGNEM-NSHDSACASA-N 0 3 283.376 -1.961 20 0 CAADHN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](C)N ZINC001160493998 779964154 /nfs/dbraw/zinc/96/41/54/779964154.db2.gz PKCQSXUXXNLOOR-CHKWXVPMSA-N 0 3 276.314 -1.050 20 0 CAADHN CN(C)C(=O)CN(C)C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001160504772 779964202 /nfs/dbraw/zinc/96/42/02/779964202.db2.gz PIZQITBQMITVFR-VIFPVBQESA-N 0 3 253.306 -1.174 20 0 CAADHN NC[C@H](N)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160507251 779964374 /nfs/dbraw/zinc/96/43/74/779964374.db2.gz VUABZPDUQLYNRL-WDEREUQCSA-N 0 3 284.360 -1.488 20 0 CAADHN CN(C)C(=O)CN(C)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160503775 779964392 /nfs/dbraw/zinc/96/43/92/779964392.db2.gz FZOKTZKIGCXIKT-SECBINFHSA-N 0 3 270.333 -2.137 20 0 CAADHN COC(=O)CN1CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC1 ZINC001160530992 779964782 /nfs/dbraw/zinc/96/47/82/779964782.db2.gz DINHQVFTZLVGNW-NSHDSACASA-N 0 3 295.343 -1.403 20 0 CAADHN COC(=O)CN1CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC1 ZINC001160530992 779964791 /nfs/dbraw/zinc/96/47/91/779964791.db2.gz DINHQVFTZLVGNW-NSHDSACASA-N 0 3 295.343 -1.403 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCCC12COC2 ZINC001160541649 779965335 /nfs/dbraw/zinc/96/53/35/779965335.db2.gz FWDUNUGJRQEUOQ-SNVBAGLBSA-N 0 3 267.329 -1.292 20 0 CAADHN NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001160548373 779965368 /nfs/dbraw/zinc/96/53/68/779965368.db2.gz DXECLWMBMIOJIL-APPZFPTMSA-N 0 3 251.290 -1.387 20 0 CAADHN NC(=O)[C@@H]1CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)C1 ZINC001160548373 779965376 /nfs/dbraw/zinc/96/53/76/779965376.db2.gz DXECLWMBMIOJIL-APPZFPTMSA-N 0 3 251.290 -1.387 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@@H](C(N)=O)C1 ZINC001160547959 779965635 /nfs/dbraw/zinc/96/56/35/779965635.db2.gz ARKWFJULHYSTCA-SCZZXKLOSA-N 0 3 265.317 -1.376 20 0 CAADHN NC(=O)[C@@H]1CCN(C(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001160548374 779965679 /nfs/dbraw/zinc/96/56/79/779965679.db2.gz DXECLWMBMIOJIL-VXNVDRBHSA-N 0 3 251.290 -1.387 20 0 CAADHN NC(=O)[C@@H]1CCN(C(=O)[C@H](N)Cc2cnc[nH]2)C1 ZINC001160548374 779965681 /nfs/dbraw/zinc/96/56/81/779965681.db2.gz DXECLWMBMIOJIL-VXNVDRBHSA-N 0 3 251.290 -1.387 20 0 CAADHN CN(CC1(C)COC1)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160545420 779965685 /nfs/dbraw/zinc/96/56/85/779965685.db2.gz RHUUDFDJIDWSGR-JTQLQIEISA-N 0 3 269.345 -1.188 20 0 CAADHN Cn1cc2c(n1)CCN(C(=O)[C@H]1COC3(CNC3)CN1)C2 ZINC001160557997 779966518 /nfs/dbraw/zinc/96/65/18/779966518.db2.gz LEICJCKDIPTBFZ-GFCCVEGCSA-N 0 3 291.355 -1.365 20 0 CAADHN Cn1ncc2c1CN(C(=O)[C@H]1COC3(CNC3)CN1)C2 ZINC001160565255 779966888 /nfs/dbraw/zinc/96/68/88/779966888.db2.gz OSQLZZIRKOIMPR-SNVBAGLBSA-N 0 3 277.328 -1.407 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCC[C@@H](CCO)C1 ZINC001160610525 779968340 /nfs/dbraw/zinc/96/83/40/779968340.db2.gz FIIVJAHNLZSYDO-NWDGAFQWSA-N 0 3 283.372 -1.062 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636030 779969677 /nfs/dbraw/zinc/96/96/77/779969677.db2.gz GYJSJMGWBDYPOC-NSHDSACASA-N 0 3 292.343 -2.078 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636030 779969683 /nfs/dbraw/zinc/96/96/83/779969683.db2.gz GYJSJMGWBDYPOC-NSHDSACASA-N 0 3 292.343 -2.078 20 0 CAADHN CNC(=O)C[NH2+]CCCNC(=O)c1cnc[n-]c1=O ZINC001160639914 779970796 /nfs/dbraw/zinc/97/07/96/779970796.db2.gz MDDZGCVJNLZAIJ-UHFFFAOYSA-N 0 3 267.289 -1.362 20 0 CAADHN COC[C@H](O)C[NH2+]CCCNC(=O)c1cnc[n-]c1=O ZINC001160640291 779970822 /nfs/dbraw/zinc/97/08/22/779970822.db2.gz WUIFZNZTKBIEMQ-SECBINFHSA-N 0 3 284.316 -1.101 20 0 CAADHN O=C([C@@H]1CNCCN1)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637540 779970902 /nfs/dbraw/zinc/97/09/02/779970902.db2.gz OHUHBRCVYYOGOI-LBPRGKRZSA-N 0 3 296.371 -1.602 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640439 779970924 /nfs/dbraw/zinc/97/09/24/779970924.db2.gz BNDRKUHGXIREHT-ZJUUUORDSA-N 0 3 279.300 -1.058 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640439 779970928 /nfs/dbraw/zinc/97/09/28/779970928.db2.gz BNDRKUHGXIREHT-ZJUUUORDSA-N 0 3 279.300 -1.058 20 0 CAADHN O=C(NCCC[NH2+][C@H]1CCNC1=O)c1cnc[n-]c1=O ZINC001160639410 779971143 /nfs/dbraw/zinc/97/11/43/779971143.db2.gz BHNWFIMHNWSSKD-VIFPVBQESA-N 0 3 279.300 -1.220 20 0 CAADHN C[C@H]1CC(=O)CCN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160642233 779972216 /nfs/dbraw/zinc/97/22/16/779972216.db2.gz IAHRNOVNYRYTQC-ONGXEEELSA-N 0 3 267.329 -1.103 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641232 779972453 /nfs/dbraw/zinc/97/24/53/779972453.db2.gz YLJBQYPDIFZERA-ZJUUUORDSA-N 0 3 296.327 -2.020 20 0 CAADHN CO[C@@H]1CCCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001160647983 779973628 /nfs/dbraw/zinc/97/36/28/779973628.db2.gz XFQADBKNFBGNIE-MNOVXSKESA-N 0 3 269.345 -1.046 20 0 CAADHN CN(CC1COC1)C(=O)[C@H](N)CCCNC(N)=O ZINC001160646207 779973757 /nfs/dbraw/zinc/97/37/57/779973757.db2.gz WXEUGDQCUYEFCJ-SECBINFHSA-N 0 3 258.322 -1.133 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647611 779974091 /nfs/dbraw/zinc/97/40/91/779974091.db2.gz PIKDJPJXKAJOKR-MNOVXSKESA-N 0 3 294.355 -1.850 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160661324 779974910 /nfs/dbraw/zinc/97/49/10/779974910.db2.gz OUCICYBWIGEWSP-JFGNBEQYSA-N 0 3 295.339 -1.724 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001160659872 779975232 /nfs/dbraw/zinc/97/52/32/779975232.db2.gz BNDZWLWYCNKBHG-WNWIJWBNSA-N 0 3 297.402 -2.158 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)CCO1 ZINC001160703825 779976369 /nfs/dbraw/zinc/97/63/69/779976369.db2.gz FJYMWXVGYCHLDM-DTWKUNHWSA-N 0 3 284.316 -2.971 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001160705403 779976388 /nfs/dbraw/zinc/97/63/88/779976388.db2.gz XMJFTRUGENWSNV-QQJLPTOTSA-N 0 3 277.346 -2.205 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CCO1 ZINC001160703827 779976513 /nfs/dbraw/zinc/97/65/13/779976513.db2.gz FJYMWXVGYCHLDM-RKDXNWHRSA-N 0 3 284.316 -2.971 20 0 CAADHN CN(C(=O)[C@@H]1COC2(CNC2)CN1)C1(C)COC1 ZINC001160662633 779976935 /nfs/dbraw/zinc/97/69/35/779976935.db2.gz AWPDKOUJTQTHIF-VIFPVBQESA-N 0 3 255.318 -1.436 20 0 CAADHN CN(Cc1ccon1)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160687960 779977011 /nfs/dbraw/zinc/97/70/11/779977011.db2.gz KZZNAJJVEUKFEQ-JTQLQIEISA-N 0 3 266.301 -1.037 20 0 CAADHN CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001160696324 779977473 /nfs/dbraw/zinc/97/74/73/779977473.db2.gz UZIWMAOQPHGBDY-BDAKNGLRSA-N 0 3 267.337 -1.473 20 0 CAADHN CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001160696324 779977479 /nfs/dbraw/zinc/97/74/79/779977479.db2.gz UZIWMAOQPHGBDY-BDAKNGLRSA-N 0 3 267.337 -1.473 20 0 CAADHN Cn1cnnc1C1CCN(C(=O)[C@@H](N)CN)CC1 ZINC001160704520 779978068 /nfs/dbraw/zinc/97/80/68/779978068.db2.gz FJXISTAQDSPUFM-VIFPVBQESA-N 0 3 252.322 -1.193 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@@H](N)CC(F)F)CCO1 ZINC001160705334 779978180 /nfs/dbraw/zinc/97/81/80/779978180.db2.gz VKHOSUYHJDYALD-NTSWFWBYSA-N 0 3 251.233 -1.318 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001160705400 779978632 /nfs/dbraw/zinc/97/86/32/779978632.db2.gz XMJFTRUGENWSNV-KEJSXXJDSA-N 0 3 277.346 -2.205 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001160705171 779979011 /nfs/dbraw/zinc/97/90/11/779979011.db2.gz UCVRDYKYJYYWRL-VHSXEESVSA-N 0 3 281.316 -1.997 20 0 CAADHN COC(=O)[C@H](C)N(C)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160718660 779979875 /nfs/dbraw/zinc/97/98/75/779979875.db2.gz PSLJMWHPYWSVAC-IUCAKERBSA-N 0 3 271.317 -1.663 20 0 CAADHN CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H](N)CN)C1 ZINC001160746172 779980043 /nfs/dbraw/zinc/98/00/43/779980043.db2.gz BYAQDFNJRXHDJY-UWVGGRQHSA-N 0 3 272.349 -1.584 20 0 CAADHN NC[C@H](N)C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771975 779981669 /nfs/dbraw/zinc/98/16/69/779981669.db2.gz KQSIUIPVJNJSJQ-QMMMGPOBSA-N 0 3 256.306 -2.220 20 0 CAADHN COC(=O)[C@@H](N)CC(=O)N1CCOC[C@H]1CN(C)C ZINC001160837117 779982436 /nfs/dbraw/zinc/98/24/36/779982436.db2.gz BZFVAJZXQDUTMW-ZJUUUORDSA-N 0 3 273.333 -1.334 20 0 CAADHN COC(=O)[C@@H](N)CC(=O)N1CCOC[C@@H]1CN(C)C ZINC001160837116 779982548 /nfs/dbraw/zinc/98/25/48/779982548.db2.gz BZFVAJZXQDUTMW-UWVGGRQHSA-N 0 3 273.333 -1.334 20 0 CAADHN CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H](N)CN)CC2 ZINC001160805431 779982616 /nfs/dbraw/zinc/98/26/16/779982616.db2.gz CNVUWTOKFVMFFZ-VIFPVBQESA-N 0 3 295.343 -1.270 20 0 CAADHN CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)CN ZINC001160823503 779982746 /nfs/dbraw/zinc/98/27/46/779982746.db2.gz HOFZVGHQMJWSPX-WCBMZHEXSA-N 0 3 281.316 -1.315 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001160839967 779984162 /nfs/dbraw/zinc/98/41/62/779984162.db2.gz SHNXKUQBMLXVPE-BDAKNGLRSA-N 0 3 256.306 -1.543 20 0 CAADHN CC(C)OC1CN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161009886 779989385 /nfs/dbraw/zinc/98/93/85/779989385.db2.gz JMLNLUVIBUFPOL-LLVKDONJSA-N 0 3 269.345 -1.047 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081430 779992478 /nfs/dbraw/zinc/99/24/78/779992478.db2.gz JXHLLAHKWVBAJN-SNVBAGLBSA-N 0 3 292.343 -1.047 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161081430 779992482 /nfs/dbraw/zinc/99/24/82/779992482.db2.gz JXHLLAHKWVBAJN-SNVBAGLBSA-N 0 3 292.343 -1.047 20 0 CAADHN COC(=O)[C@@]1(N)CCN(C(=O)C(N)C(F)(F)F)C1 ZINC001161137450 779997319 /nfs/dbraw/zinc/99/73/19/779997319.db2.gz DYMMDFVRKGIFPY-SVGQVSJJSA-N 0 3 269.223 -1.021 20 0 CAADHN CN(C(=O)[C@@H](N)Cc1nnn[n-]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058163 779992874 /nfs/dbraw/zinc/99/28/74/779992874.db2.gz OYGGFBVVWNHREH-HRDYMLBCSA-N 0 3 267.337 -1.202 20 0 CAADHN CN(C(=O)[C@@H](N)Cc1nn[n-]n1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058163 779992879 /nfs/dbraw/zinc/99/28/79/779992879.db2.gz OYGGFBVVWNHREH-HRDYMLBCSA-N 0 3 267.337 -1.202 20 0 CAADHN CN(C(=O)[C@@H](N)Cc1nnn[n-]1)C1(C)CC[NH2+]CC1 ZINC001161066931 779993027 /nfs/dbraw/zinc/99/30/27/779993027.db2.gz DRKUTZWRJLVPNS-QMMMGPOBSA-N 0 3 267.337 -1.330 20 0 CAADHN CN(C(=O)[C@@H](N)Cc1nn[n-]n1)C1(C)CC[NH2+]CC1 ZINC001161066931 779993030 /nfs/dbraw/zinc/99/30/30/779993030.db2.gz DRKUTZWRJLVPNS-QMMMGPOBSA-N 0 3 267.337 -1.330 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161085493 779994384 /nfs/dbraw/zinc/99/43/84/779994384.db2.gz ZIHJFRKOZATZEC-XAMCCFCMSA-N 0 3 298.299 -2.780 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161085091 779994682 /nfs/dbraw/zinc/99/46/82/779994682.db2.gz NAGFFHKSKBQJGX-YJEFXEGGSA-N 0 3 260.315 -1.391 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCN2CC[C@@H]2C1 ZINC001161423977 780011811 /nfs/dbraw/zinc/01/18/11/780011811.db2.gz VCDSJNLHXFBXQT-GPHJXTMHSA-N 0 3 259.375 -1.001 20 0 CAADHN CCN(C(=O)[C@H]1COC2(CNC2)CN1)C1CN(C)C1 ZINC001161137637 779997118 /nfs/dbraw/zinc/99/71/18/779997118.db2.gz FUEGZVXQJSKIDC-LLVKDONJSA-N 0 3 268.361 -1.521 20 0 CAADHN CCN(CCC(=O)OC)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001161132632 779996954 /nfs/dbraw/zinc/99/69/54/779996954.db2.gz QMFGXSSMQXCHHA-JTQLQIEISA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@]1(N)CCN(C(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001161138236 779997466 /nfs/dbraw/zinc/99/74/66/779997466.db2.gz QAQBWAOOXHSDIW-SKDRFNHKSA-N 0 3 281.316 -1.618 20 0 CAADHN CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C1CN(C)C1 ZINC001161137746 779997693 /nfs/dbraw/zinc/99/76/93/779997693.db2.gz GRBYWHSNLIVDRA-WPRPVWTQSA-N 0 3 299.375 -2.144 20 0 CAADHN COC(=O)[C@@]1(N)CCN(C(=O)C(N)C(F)(F)F)C1 ZINC001161137453 779997737 /nfs/dbraw/zinc/99/77/37/779997737.db2.gz DYMMDFVRKGIFPY-YLWLKBPMSA-N 0 3 269.223 -1.021 20 0 CAADHN COC(=O)[C@@]1(N)CCN(C(=O)[C@@H](N)Cc2cncn2C)C1 ZINC001161137757 779997867 /nfs/dbraw/zinc/99/78/67/779997867.db2.gz GTKJBZMLCYVZJK-GXFFZTMASA-N 0 3 295.343 -1.607 20 0 CAADHN COC(=O)[C@]1(N)CCN(C(=O)C(N)C(F)(F)F)C1 ZINC001161137452 779998094 /nfs/dbraw/zinc/99/80/94/779998094.db2.gz DYMMDFVRKGIFPY-XRGYYRRGSA-N 0 3 269.223 -1.021 20 0 CAADHN CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001161153458 779999116 /nfs/dbraw/zinc/99/91/16/779999116.db2.gz IYANGQKOGPFYEN-QMMMGPOBSA-N 0 3 299.335 -2.190 20 0 CAADHN CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001161153458 779999118 /nfs/dbraw/zinc/99/91/18/779999118.db2.gz IYANGQKOGPFYEN-QMMMGPOBSA-N 0 3 299.335 -2.190 20 0 CAADHN CO[C@@H](C)C1CN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161146728 779999213 /nfs/dbraw/zinc/99/92/13/779999213.db2.gz RSSJZIALYLAAIX-GXSJLCMTSA-N 0 3 269.345 -1.190 20 0 CAADHN CN(C(=O)[C@@H](N)Cc1nnn[n-]1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219567 780001853 /nfs/dbraw/zinc/00/18/53/780001853.db2.gz RCGIKQWTJLGRKK-VOQBNFLRSA-N 0 3 251.294 -2.254 20 0 CAADHN CN(C(=O)[C@@H](N)Cc1nn[n-]n1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161219567 780001862 /nfs/dbraw/zinc/00/18/62/780001862.db2.gz RCGIKQWTJLGRKK-VOQBNFLRSA-N 0 3 251.294 -2.254 20 0 CAADHN CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](N)Cc3nnn[n-]3)C[C@H]2C1 ZINC001161174984 780002118 /nfs/dbraw/zinc/00/21/18/780002118.db2.gz HWTLUPMLSMFKJD-MXWKQRLJSA-N 0 3 293.375 -1.130 20 0 CAADHN CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](N)Cc3nn[n-]n3)C[C@H]2C1 ZINC001161174984 780002127 /nfs/dbraw/zinc/00/21/27/780002127.db2.gz HWTLUPMLSMFKJD-MXWKQRLJSA-N 0 3 293.375 -1.130 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)[C@@H](C)CO1 ZINC001161235008 780003970 /nfs/dbraw/zinc/00/39/70/780003970.db2.gz KTODZPDEBVADES-AXFHLTTASA-N 0 3 269.345 -1.047 20 0 CAADHN COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001161239072 780004094 /nfs/dbraw/zinc/00/40/94/780004094.db2.gz WSYPALAEBVSROP-WDEREUQCSA-N 0 3 295.343 -1.405 20 0 CAADHN CC(=O)N[C@@H]1CCCN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001161270063 780006122 /nfs/dbraw/zinc/00/61/22/780006122.db2.gz ISHAILMVBGFDOA-GHMZBOCLSA-N 0 3 299.375 -1.111 20 0 CAADHN CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)CN)C1 ZINC001161288317 780007311 /nfs/dbraw/zinc/00/73/11/780007311.db2.gz FVTMJENYZOHNDV-BDAKNGLRSA-N 0 3 257.338 -1.465 20 0 CAADHN CCN(C(=O)[C@@H](N)Cc1nnn[n-]1)[C@H]1CCC[NH2+]C1 ZINC001161329690 780007132 /nfs/dbraw/zinc/00/71/32/780007132.db2.gz BXHYLKGLKKSWLE-IUCAKERBSA-N 0 3 267.337 -1.330 20 0 CAADHN CCN(C(=O)[C@@H](N)Cc1nn[n-]n1)[C@H]1CCC[NH2+]C1 ZINC001161329690 780007142 /nfs/dbraw/zinc/00/71/42/780007142.db2.gz BXHYLKGLKKSWLE-IUCAKERBSA-N 0 3 267.337 -1.330 20 0 CAADHN Cc1ccnc(N2CCN(C(=O)[C@@H](N)CN)CC2)n1 ZINC001161299729 780007598 /nfs/dbraw/zinc/00/75/98/780007598.db2.gz YQFKDPQGYWBIBB-JTQLQIEISA-N 0 3 264.333 -1.280 20 0 CAADHN CC[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)C(N)=O ZINC001161377440 780010067 /nfs/dbraw/zinc/01/00/67/780010067.db2.gz JWFBKFREEYFEOP-ZJUUUORDSA-N 0 3 254.334 -1.244 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161412181 780012786 /nfs/dbraw/zinc/01/27/86/780012786.db2.gz HGCZKPFYOQCWIF-XAVMHZPKSA-N 0 3 265.321 -1.735 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@@H]2[C@H]([NH3+])CC[C@@H]2C1 ZINC001161412181 780012792 /nfs/dbraw/zinc/01/27/92/780012792.db2.gz HGCZKPFYOQCWIF-XAVMHZPKSA-N 0 3 265.321 -1.735 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCN2CC[C@@H]2C1 ZINC001161423791 780013981 /nfs/dbraw/zinc/01/39/81/780013981.db2.gz OBNDMFPYIRVAPK-AEJSXWLSSA-N 0 3 270.333 -2.273 20 0 CAADHN CN1C(=O)CC[C@H]2CN(C(=O)[C@@H](N)CN)CC[C@H]21 ZINC001161483379 780014973 /nfs/dbraw/zinc/01/49/73/780014973.db2.gz LZCZFCDUDWRFPN-LPEHRKFASA-N 0 3 254.334 -1.258 20 0 CAADHN CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H](N)CN)CC[C@@H]21 ZINC001161483380 780015216 /nfs/dbraw/zinc/01/52/16/780015216.db2.gz LZCZFCDUDWRFPN-UTLUCORTSA-N 0 3 254.334 -1.258 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161492610 780016607 /nfs/dbraw/zinc/01/66/07/780016607.db2.gz RQUWNYGQPMHRCD-WCABBAIRSA-N 0 3 278.312 -1.047 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161492610 780016614 /nfs/dbraw/zinc/01/66/14/780016614.db2.gz RQUWNYGQPMHRCD-WCABBAIRSA-N 0 3 278.312 -1.047 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161499138 780018737 /nfs/dbraw/zinc/01/87/37/780018737.db2.gz FYBAAMWWKZUQLT-BQBZGAKWSA-N 0 3 267.293 -2.744 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161499138 780018745 /nfs/dbraw/zinc/01/87/45/780018745.db2.gz FYBAAMWWKZUQLT-BQBZGAKWSA-N 0 3 267.293 -2.744 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161499339 780019972 /nfs/dbraw/zinc/01/99/72/780019972.db2.gz FYBAAMWWKZUQLT-NKWVEPMBSA-N 0 3 267.293 -2.744 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161499339 780019983 /nfs/dbraw/zinc/01/99/83/780019983.db2.gz FYBAAMWWKZUQLT-NKWVEPMBSA-N 0 3 267.293 -2.744 20 0 CAADHN CN1CC2(C1)CN(C(=O)[C@@H]1CCCN1C(=O)CN)C2 ZINC001161531228 780021714 /nfs/dbraw/zinc/02/17/14/780021714.db2.gz CXISEMIVZITQQR-JTQLQIEISA-N 0 3 266.345 -1.290 20 0 CAADHN CN1CC2(C1)CN(C(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001161532358 780021949 /nfs/dbraw/zinc/02/19/49/780021949.db2.gz QVJVHMHGJCGADQ-XYZCENFISA-N 0 3 259.375 -1.144 20 0 CAADHN COCCOC1CN(C(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001161572710 780022379 /nfs/dbraw/zinc/02/23/79/780022379.db2.gz XCXIAOSJEFDTAR-XTZNXHDOSA-N 0 3 278.374 -1.044 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCNC2(CC2)C1 ZINC001161550260 780022792 /nfs/dbraw/zinc/02/27/92/780022792.db2.gz GBOIUIQYAMTAOO-IUCAKERBSA-N 0 3 254.334 -1.197 20 0 CAADHN CN1CCN(CCCNc2nn(C)c(=O)n(C)c2=O)CC1 ZINC001161708266 780026567 /nfs/dbraw/zinc/02/65/67/780026567.db2.gz GKQXUQVLJYEEJX-UHFFFAOYSA-N 0 3 296.375 -1.472 20 0 CAADHN N[C@@H]1NCN(c2nc(Cl)nc3[nH]cnc32)[C@@H]2NCN[C@H]21 ZINC001162434976 780032319 /nfs/dbraw/zinc/03/23/19/780032319.db2.gz AYOQJLKOAORELI-SJIRYBADSA-N 0 3 295.738 -1.497 20 0 CAADHN N[C@@H]1NCN(c2ncnc3c2CCNC3)[C@@H]2NCN[C@@H]21 ZINC001162437784 780037424 /nfs/dbraw/zinc/03/74/24/780037424.db2.gz VPDTYCHVGOJJSA-FOGDFJRCSA-N 0 3 276.348 -2.381 20 0 CAADHN N[C@@H]1NCN(c2ncc3c(n2)CCNC3)[C@H]2NCN[C@H]21 ZINC001162437568 780038098 /nfs/dbraw/zinc/03/80/98/780038098.db2.gz VEJVESQUSFNLSD-HBNTYKKESA-N 0 3 276.348 -2.381 20 0 CAADHN N[C@@H]1NCN(c2nnc(Cl)c3nc[nH]c32)[C@H]2NCN[C@@H]21 ZINC001162439749 780042577 /nfs/dbraw/zinc/04/25/77/780042577.db2.gz OHATWANADXHIST-FTLITQJKSA-N 0 3 295.738 -1.497 20 0 CAADHN N[C@@H]1NCN(c2nnc(Cl)c3nc[nH]c32)[C@@H]2NCN[C@H]21 ZINC001162439752 780043293 /nfs/dbraw/zinc/04/32/93/780043293.db2.gz OHATWANADXHIST-ZQARSLAVSA-N 0 3 295.738 -1.497 20 0 CAADHN CN(C)Cc1ccnc(N2CN[C@H](N)[C@@H]3NCN[C@H]32)c1 ZINC001162442520 780045999 /nfs/dbraw/zinc/04/59/99/780045999.db2.gz BWWKDIZDPGHWRX-AVGNSLFASA-N 0 3 277.376 -1.360 20 0 CAADHN CN(C)Cc1ccnc(N2CN[C@H](N)[C@H]3NCN[C@@H]32)c1 ZINC001162442522 780046045 /nfs/dbraw/zinc/04/60/45/780046045.db2.gz BWWKDIZDPGHWRX-FRRDWIJNSA-N 0 3 277.376 -1.360 20 0 CAADHN CN(C)Cc1ccnc(N2CN[C@H](N)[C@@H]3NCN[C@@H]32)c1 ZINC001162442524 780046078 /nfs/dbraw/zinc/04/60/78/780046078.db2.gz BWWKDIZDPGHWRX-RWMBFGLXSA-N 0 3 277.376 -1.360 20 0 CAADHN N[C@@H]1NCN(c2cc3c(nn2)CCNC3)[C@H]2NCN[C@@H]21 ZINC001162443932 780047511 /nfs/dbraw/zinc/04/75/11/780047511.db2.gz AUQJIQMBTQNCEJ-IJLUTSLNSA-N 0 3 276.348 -2.381 20 0 CAADHN N[C@@H]1NCN(c2cc3c(nn2)CCNC3)[C@@H]2NCN[C@@H]21 ZINC001162443935 780047983 /nfs/dbraw/zinc/04/79/83/780047983.db2.gz AUQJIQMBTQNCEJ-UTUOFQBUSA-N 0 3 276.348 -2.381 20 0 CAADHN CNC(=O)N[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC001163019822 780054459 /nfs/dbraw/zinc/05/44/59/780054459.db2.gz VGRIAVWRFCRZDB-YFKPBYRVSA-N 0 3 252.282 -1.456 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001163087651 780055936 /nfs/dbraw/zinc/05/59/36/780055936.db2.gz AGOOVNUKMKGYGA-ZDUSSCGKSA-N 0 3 294.359 -1.063 20 0 CAADHN CNC(=O)c1cnc([N-][C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc1 ZINC001163240204 780057287 /nfs/dbraw/zinc/05/72/87/780057287.db2.gz UIGHVBCZIIWLOP-PELKAZGASA-N 0 3 276.300 -1.174 20 0 CAADHN Nc1nc(N)nc(N2CC[C@H]3COC(=O)N[C@@H]3C2)n1 ZINC001163661893 780060311 /nfs/dbraw/zinc/06/03/11/780060311.db2.gz BMCDQWRERSAFTN-NTSWFWBYSA-N 0 3 265.277 -1.029 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NCCCNCc1cnnn1C ZINC001163912757 780062945 /nfs/dbraw/zinc/06/29/45/780062945.db2.gz MVFJELODJWVYEA-VIFPVBQESA-N 0 3 282.348 -1.078 20 0 CAADHN NCc1nccnc1NC[C@]1(CO)COCCN1 ZINC001164046511 780068391 /nfs/dbraw/zinc/06/83/91/780068391.db2.gz MCLDTWVUOOVHOZ-NSHDSACASA-N 0 3 253.306 -1.302 20 0 CAADHN Cn1ccnc1CNCCCNC(=O)c1nnn(C)n1 ZINC001164147573 780069614 /nfs/dbraw/zinc/06/96/14/780069614.db2.gz DYCWWBVYNLYSQB-UHFFFAOYSA-N 0 3 278.320 -1.147 20 0 CAADHN Cn1ccc(CNCCCNC(=O)c2nnn(C)n2)n1 ZINC001164153309 780069629 /nfs/dbraw/zinc/06/96/29/780069629.db2.gz CYRVFBHFIASERN-UHFFFAOYSA-N 0 3 278.320 -1.147 20 0 CAADHN CN(c1ncc2c(n1)NC(=O)C2)S(=O)(=O)CCN ZINC001164288000 780070520 /nfs/dbraw/zinc/07/05/20/780070520.db2.gz LUSSBEHKANRPQH-UHFFFAOYSA-N 0 3 271.302 -1.304 20 0 CAADHN COc1nc(OC)nc(N(C)S(=O)(=O)CCN)n1 ZINC001164287595 780071006 /nfs/dbraw/zinc/07/10/06/780071006.db2.gz IUILDSUDQCGEEB-UHFFFAOYSA-N 0 3 277.306 -1.387 20 0 CAADHN CN(c1cc(S(C)(=O)=O)ncn1)S(=O)(=O)CCN ZINC001164287513 780071039 /nfs/dbraw/zinc/07/10/39/780071039.db2.gz SUXSBFHKRXYRGO-UHFFFAOYSA-N 0 3 294.358 -1.395 20 0 CAADHN CCn1nccc(N(C)S(=O)(=O)CCN)c1=O ZINC001164300694 780071945 /nfs/dbraw/zinc/07/19/45/780071945.db2.gz VKLGKHIWABYESV-UHFFFAOYSA-N 0 3 260.319 -1.012 20 0 CAADHN COC(=O)Cc1ccnc(N(C)S(=O)(=O)CCN)n1 ZINC001164292476 780072378 /nfs/dbraw/zinc/07/23/78/780072378.db2.gz NIBQFVGQKWMGAX-UHFFFAOYSA-N 0 3 288.329 -1.083 20 0 CAADHN CN(c1cn2ncnc2cn1)S(=O)(=O)CCN ZINC001164296960 780072503 /nfs/dbraw/zinc/07/25/03/780072503.db2.gz SYJJMKGSYWRUMG-UHFFFAOYSA-N 0 3 256.291 -1.151 20 0 CAADHN CN(c1ncc(S(C)(=O)=O)cn1)S(=O)(=O)CCN ZINC001164292643 780072974 /nfs/dbraw/zinc/07/29/74/780072974.db2.gz VSVUKGMMYZXFGM-UHFFFAOYSA-N 0 3 294.358 -1.395 20 0 CAADHN OC[C@@H]1CN(c2cc3c(nn2)CCNC3)C[C@H]1O ZINC001164545594 780074951 /nfs/dbraw/zinc/07/49/51/780074951.db2.gz UNZQQPIIYJEOKH-GXSJLCMTSA-N 0 3 250.302 -1.088 20 0 CAADHN NS(=O)(=O)c1ccc(N2CC[C@@H]3NCCO[C@H]3C2)nn1 ZINC001165274505 780075819 /nfs/dbraw/zinc/07/58/19/780075819.db2.gz NHUYSBSJZXDKDH-IUCAKERBSA-N 0 3 299.356 -1.309 20 0 CAADHN O=C1CN(C2CN(c3ncc4c(n3)CCNC4)C2)CCN1 ZINC001165115370 780076278 /nfs/dbraw/zinc/07/62/78/780076278.db2.gz NZASWERCTATCBZ-UHFFFAOYSA-N 0 3 288.355 -1.257 20 0 CAADHN NCc1cc(N2CC(N3CCNC(=O)C3)C2)ncn1 ZINC001165114534 780076332 /nfs/dbraw/zinc/07/63/32/780076332.db2.gz AIECKRXYYUXYQP-UHFFFAOYSA-N 0 3 262.317 -1.444 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207888795 780121665 /nfs/dbraw/zinc/12/16/65/780121665.db2.gz BECMICFOAQVKGQ-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001165468005 780081058 /nfs/dbraw/zinc/08/10/58/780081058.db2.gz PSFIADUCOBBCLB-VIFPVBQESA-N 0 3 281.320 -1.908 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@H]1CNC(=O)N1 ZINC001165468002 780081087 /nfs/dbraw/zinc/08/10/87/780081087.db2.gz PSFIADUCOBBCLB-SECBINFHSA-N 0 3 281.320 -1.908 20 0 CAADHN Cn1ccnc1CNCCCNC(=O)[C@H]1CNC(=O)N1 ZINC001165468393 780081797 /nfs/dbraw/zinc/08/17/97/780081797.db2.gz SAUFTKNTSVPBHQ-SECBINFHSA-N 0 3 280.332 -1.303 20 0 CAADHN O=C(NCCCNCc1cnns1)[C@@H]1CNC(=O)N1 ZINC001165475389 780082426 /nfs/dbraw/zinc/08/24/26/780082426.db2.gz QXXJCKPVYQSMJB-QMMMGPOBSA-N 0 3 284.345 -1.185 20 0 CAADHN Cc1cc(CNCCCNC(=O)C(N)=O)ncn1 ZINC001165618988 780084515 /nfs/dbraw/zinc/08/45/15/780084515.db2.gz JPSIZCSTYFLWFF-UHFFFAOYSA-N 0 3 251.290 -1.134 20 0 CAADHN COc1ccc(CNCCCNC(=O)C(N)=O)nn1 ZINC001165612317 780084553 /nfs/dbraw/zinc/08/45/53/780084553.db2.gz AKOJERJZJYVPAK-UHFFFAOYSA-N 0 3 267.289 -1.434 20 0 CAADHN Cn1nncc1CNCCCNC(=O)C1(C(N)=O)CC1 ZINC001165597114 780085177 /nfs/dbraw/zinc/08/51/77/780085177.db2.gz ZKMCTZXFAACXRT-UHFFFAOYSA-N 0 3 280.332 -1.324 20 0 CAADHN NC(=O)C(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001165612839 780085274 /nfs/dbraw/zinc/08/52/74/780085274.db2.gz GOJZYKMSIFWPEG-UHFFFAOYSA-N 0 3 280.288 -2.004 20 0 CAADHN Cc1csc(NC(=O)CNCCCNC(=O)C(N)=O)n1 ZINC001165618761 780085629 /nfs/dbraw/zinc/08/56/29/780085629.db2.gz AYTZRXRNKFFTGN-UHFFFAOYSA-N 0 3 299.356 -1.029 20 0 CAADHN C[C@H](NCCCNC(=O)C(N)=O)C(=O)Nc1ncccn1 ZINC001165618845 780085767 /nfs/dbraw/zinc/08/57/67/780085767.db2.gz DPBVTIROSZPWBC-QMMMGPOBSA-N 0 3 294.315 -1.615 20 0 CAADHN Cc1cc(NC(=O)CNCCCNC(=O)C(N)=O)no1 ZINC001165619055 780085947 /nfs/dbraw/zinc/08/59/47/780085947.db2.gz MMYVEVGFUOVGLQ-UHFFFAOYSA-N 0 3 283.288 -1.497 20 0 CAADHN NC(=O)C(=O)NCCCNCC(=O)Nc1nncs1 ZINC001165619142 780086561 /nfs/dbraw/zinc/08/65/61/780086561.db2.gz PXMXMRORYFQGKL-UHFFFAOYSA-N 0 3 286.317 -1.942 20 0 CAADHN Cc1cc(NC(=O)[C@@H](C)NCCCNC(=O)C(N)=O)on1 ZINC001165650824 780089186 /nfs/dbraw/zinc/08/91/86/780089186.db2.gz LQVCXFFCBCGRFB-MRVPVSSYSA-N 0 3 297.315 -1.109 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@]1(C)CCNC1=O ZINC001166552923 780091616 /nfs/dbraw/zinc/09/16/16/780091616.db2.gz NUUULLQIGWZNAG-CYBMUJFWSA-N 0 3 294.359 -1.063 20 0 CAADHN NC(=O)[C@@H]1CN(c2ncnc3c2CCNC3)CCN1 ZINC001166724134 780094072 /nfs/dbraw/zinc/09/40/72/780094072.db2.gz RCLATCVFWQPQBK-JTQLQIEISA-N 0 3 262.317 -1.614 20 0 CAADHN Cn1nnc2c1ncnc2N(C1CNC1)S(C)(=O)=O ZINC001166970241 780100313 /nfs/dbraw/zinc/10/03/13/780100313.db2.gz HZSGFPVYJJVCJJ-UHFFFAOYSA-N 0 3 283.317 -1.504 20 0 CAADHN CS(=O)(=O)N(c1cccc(C(N)=O)n1)C1CNC1 ZINC001166969797 780100338 /nfs/dbraw/zinc/10/03/38/780100338.db2.gz XLUBVWFLNYCKCX-UHFFFAOYSA-N 0 3 270.314 -1.082 20 0 CAADHN CS(=O)(=O)N(c1ncccc1C(N)=O)C1CNC1 ZINC001166968234 780100583 /nfs/dbraw/zinc/10/05/83/780100583.db2.gz ROGLFWZWHBOCRI-UHFFFAOYSA-N 0 3 270.314 -1.082 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)C1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001276421361 780101558 /nfs/dbraw/zinc/10/15/58/780101558.db2.gz IKOYBJOHIPYKLS-MWLCHTKSSA-N 0 3 295.343 -1.834 20 0 CAADHN NC(=O)C[NH2+]CC1CCN(C(=O)c2cn[n-]n2)CC1 ZINC001205608902 780105985 /nfs/dbraw/zinc/10/59/85/780105985.db2.gz MMWHWXDGANWJIX-UHFFFAOYSA-N 0 3 266.305 -1.268 20 0 CAADHN COCCN1C[C@@H](C)[C@H](NC(=O)CNC(N)=O)C1 ZINC001205921790 780107998 /nfs/dbraw/zinc/10/79/98/780107998.db2.gz MWLGDXGGTPJGIR-RKDXNWHRSA-N 0 3 258.322 -1.262 20 0 CAADHN C[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)CNC(N)=O ZINC001205921530 780108491 /nfs/dbraw/zinc/10/84/91/780108491.db2.gz IQKVZINIWORQBH-GHMZBOCLSA-N 0 3 294.359 -1.012 20 0 CAADHN COC(=O)NCC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001206306958 780109824 /nfs/dbraw/zinc/10/98/24/780109824.db2.gz SIKVLDMOVRLLSF-RKDXNWHRSA-N 0 3 259.306 -1.229 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206977862 780113821 /nfs/dbraw/zinc/11/38/21/780113821.db2.gz BWAAAKNTDYFWEC-OUAUKWLOSA-N 0 3 298.347 -1.883 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001207099737 780115176 /nfs/dbraw/zinc/11/51/76/780115176.db2.gz JGTXVUWZSJBQIH-GFCCVEGCSA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207258019 780115222 /nfs/dbraw/zinc/11/52/22/780115222.db2.gz CMEIQLRKBKPZEQ-SECBINFHSA-N 0 3 285.348 -1.677 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001207102102 780115277 /nfs/dbraw/zinc/11/52/77/780115277.db2.gz XPBDAVYGABCEMR-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001207178141 780115786 /nfs/dbraw/zinc/11/57/86/780115786.db2.gz NQJNZYXATGGGLK-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001207221514 780115884 /nfs/dbraw/zinc/11/58/84/780115884.db2.gz GWZKQCHKEMSVMA-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001207102104 780116037 /nfs/dbraw/zinc/11/60/37/780116037.db2.gz XPBDAVYGABCEMR-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC001207160476 780116052 /nfs/dbraw/zinc/11/60/52/780116052.db2.gz YLXCDTUZJFIJAP-UWVGGRQHSA-N 0 3 298.343 -1.059 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](N[C@H](C)C(N)=O)C1 ZINC001207107939 780116145 /nfs/dbraw/zinc/11/61/45/780116145.db2.gz KFOIEXJRJVHPLL-SCZZXKLOSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001207109708 780116222 /nfs/dbraw/zinc/11/62/22/780116222.db2.gz XJPINEOCBPCZAO-SECBINFHSA-N 0 3 299.331 -2.102 20 0 CAADHN CCCNC(=O)CN[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207259289 780116784 /nfs/dbraw/zinc/11/67/84/780116784.db2.gz ZPLDISBDIUVDAX-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001207391485 780116803 /nfs/dbraw/zinc/11/68/03/780116803.db2.gz BLVNPVOFRITKLO-MRVPVSSYSA-N 0 3 294.315 -1.201 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207258729 780116971 /nfs/dbraw/zinc/11/69/71/780116971.db2.gz QWZFZGROVRREGF-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)CNC(N)=O)C1)C(N)=O ZINC001207266913 780117120 /nfs/dbraw/zinc/11/71/20/780117120.db2.gz MJLIRKABVQNGRI-JGVFFNPUSA-N 0 3 271.321 -1.891 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001207314225 780117165 /nfs/dbraw/zinc/11/71/65/780117165.db2.gz BMZQPWJOPRZRPB-NXEZZACHSA-N 0 3 293.389 -1.693 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CN(C)C(C)=O)C1 ZINC001207430606 780117235 /nfs/dbraw/zinc/11/72/35/780117235.db2.gz MLXMVXULOYRKEJ-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001207331284 780117367 /nfs/dbraw/zinc/11/73/67/780117367.db2.gz QKARZZRECKJSQD-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207258744 780117455 /nfs/dbraw/zinc/11/74/55/780117455.db2.gz RNJSHAYKMAUQQM-ZETCQYMHSA-N 0 3 257.294 -2.279 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)CNC(N)=O)C1)C(N)=O ZINC001207266912 780117733 /nfs/dbraw/zinc/11/77/33/780117733.db2.gz MJLIRKABVQNGRI-HTQZYQBOSA-N 0 3 271.321 -1.891 20 0 CAADHN CCCC(=O)NCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207570081 780118770 /nfs/dbraw/zinc/11/87/70/780118770.db2.gz NEXHXHBNILNNAR-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001207698394 780118787 /nfs/dbraw/zinc/11/87/87/780118787.db2.gz QBUYWJBNKAWUNN-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CO[C@H](C)C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001207546103 780118818 /nfs/dbraw/zinc/11/88/18/780118818.db2.gz MAVHLFGALPMDQU-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 ZINC001207514841 780118867 /nfs/dbraw/zinc/11/88/67/780118867.db2.gz NFKZHTCULJPXNY-JTQLQIEISA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)CC(N)=O)C1)C(=O)N(C)C ZINC001207724607 780118888 /nfs/dbraw/zinc/11/88/88/780118888.db2.gz AZBJFWVFIWLPQC-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207541690 780119040 /nfs/dbraw/zinc/11/90/40/780119040.db2.gz MZSVCYZWSSZGMZ-MRVPVSSYSA-N 0 3 272.305 -1.592 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)CC(N)=O)C1)C(=O)N(C)C ZINC001207724605 780119157 /nfs/dbraw/zinc/11/91/57/780119157.db2.gz AZBJFWVFIWLPQC-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC001207570356 780119232 /nfs/dbraw/zinc/11/92/32/780119232.db2.gz OTERIAUJNAZRGO-UWVGGRQHSA-N 0 3 298.343 -1.202 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CNC(=O)OC)C1 ZINC001207541951 780119401 /nfs/dbraw/zinc/11/94/01/780119401.db2.gz SJPABLKLZDSXHN-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207441801 780119415 /nfs/dbraw/zinc/11/94/15/780119415.db2.gz SHAZZZYODKIENQ-SNVBAGLBSA-N 0 3 270.333 -1.469 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@H](N[C@H](C)C(N)=O)C1 ZINC001207542260 780119459 /nfs/dbraw/zinc/11/94/59/780119459.db2.gz ZLUUQRAEWUVOHV-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001207698393 780119534 /nfs/dbraw/zinc/11/95/34/780119534.db2.gz QBUYWJBNKAWUNN-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001207790132 780119918 /nfs/dbraw/zinc/11/99/18/780119918.db2.gz RMMLLAYPWCZYMR-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001207790128 780120030 /nfs/dbraw/zinc/12/00/30/780120030.db2.gz RMMLLAYPWCZYMR-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)CC(N)=O)C1)C(=O)NC(N)=O ZINC001207726523 780120269 /nfs/dbraw/zinc/12/02/69/780120269.db2.gz ZTCZQOOOWJMFOD-JGVFFNPUSA-N 0 3 299.331 -1.974 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207726384 780120389 /nfs/dbraw/zinc/12/03/89/780120389.db2.gz YFWAVEDGUVDBJR-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CCCNC(=O)CN[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207724698 780120406 /nfs/dbraw/zinc/12/04/06/780120406.db2.gz CKSYVQBDXPGHKK-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001207734834 780120586 /nfs/dbraw/zinc/12/05/86/780120586.db2.gz OYLCKLODJQWRPE-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC001207828313 780120594 /nfs/dbraw/zinc/12/05/94/780120594.db2.gz ARMGMWCKCOJEJW-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC001207828957 780120734 /nfs/dbraw/zinc/12/07/34/780120734.db2.gz JNCDGRAPSVKBFI-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@H](NCC(=O)NCC2CC2)C1 ZINC001207725075 780120749 /nfs/dbraw/zinc/12/07/49/780120749.db2.gz IDWWYQGLOFBQOM-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)CC(N)=O)C1)C(=O)NC(N)=O ZINC001207726524 780120776 /nfs/dbraw/zinc/12/07/76/780120776.db2.gz ZTCZQOOOWJMFOD-SFYZADRCSA-N 0 3 299.331 -1.974 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001207828958 780120795 /nfs/dbraw/zinc/12/07/95/780120795.db2.gz JNCDGRAPSVKBFI-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725248 780120843 /nfs/dbraw/zinc/12/08/43/780120843.db2.gz LDXIUVWPGGQFSY-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)c1cn[nH]c1)C1CC1 ZINC001276544017 780120861 /nfs/dbraw/zinc/12/08/61/780120861.db2.gz KYLYPVDEOZNHNV-VIFPVBQESA-N 0 3 251.290 -1.007 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC001207860159 780120875 /nfs/dbraw/zinc/12/08/75/780120875.db2.gz IBOZAPYFLIBDRU-SECBINFHSA-N 0 3 296.331 -1.690 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001207890117 780121583 /nfs/dbraw/zinc/12/15/83/780121583.db2.gz VIMXXJTVCWNBSP-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001207902748 780121660 /nfs/dbraw/zinc/12/16/60/780121660.db2.gz TXOSKSNIYFEBIK-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001207897708 780121686 /nfs/dbraw/zinc/12/16/86/780121686.db2.gz FYUVBPMCZUPLRR-GFCCVEGCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@H](NCC(=O)N(C)C)C1 ZINC001207908947 780121739 /nfs/dbraw/zinc/12/17/39/780121739.db2.gz KRGDNVGCNQSTHU-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001207890118 780121791 /nfs/dbraw/zinc/12/17/91/780121791.db2.gz VIMXXJTVCWNBSP-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)CCCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207878237 780121827 /nfs/dbraw/zinc/12/18/27/780121827.db2.gz RRVGFUDVLLTLDS-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001207888952 780121851 /nfs/dbraw/zinc/12/18/51/780121851.db2.gz DBDNUNGNZSOMBN-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H](NCC(=O)N(C)C)C1 ZINC001207908948 780121941 /nfs/dbraw/zinc/12/19/41/780121941.db2.gz KRGDNVGCNQSTHU-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001207890054 780121969 /nfs/dbraw/zinc/12/19/69/780121969.db2.gz VIMXXJTVCWNBSP-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001207957561 780122000 /nfs/dbraw/zinc/12/20/00/780122000.db2.gz HVVVCNOPVNCFQV-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CCn2ccnn2)C1 ZINC001207893266 780122058 /nfs/dbraw/zinc/12/20/58/780122058.db2.gz QMTPLLAYCKECJP-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CCn2ccnn2)C1 ZINC001207893279 780122090 /nfs/dbraw/zinc/12/20/90/780122090.db2.gz QMTPLLAYCKECJP-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001207957565 780122105 /nfs/dbraw/zinc/12/21/05/780122105.db2.gz HVVVCNOPVNCFQV-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001207898215 780122426 /nfs/dbraw/zinc/12/24/26/780122426.db2.gz MFOKRHGPZJLTGB-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)CC(=O)NC)C1 ZINC001207889441 780122607 /nfs/dbraw/zinc/12/26/07/780122607.db2.gz LCBALSGEHBQZCR-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001207874765 780122659 /nfs/dbraw/zinc/12/26/59/780122659.db2.gz CJTUIARYDCZHRS-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CC(=O)NC)C1 ZINC001207889806 780122707 /nfs/dbraw/zinc/12/27/07/780122707.db2.gz POQDPJQBFQBTEE-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001207986525 780123024 /nfs/dbraw/zinc/12/30/24/780123024.db2.gz NWPCISAOTCUBOO-QMMMGPOBSA-N 0 3 294.315 -1.201 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053429 780123125 /nfs/dbraw/zinc/12/31/25/780123125.db2.gz WAKSHXPJXITVHZ-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CCNC(=O)NC)C1 ZINC001207983043 780123209 /nfs/dbraw/zinc/12/32/09/780123209.db2.gz JWUXJHMEBYRONX-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001208042714 780123306 /nfs/dbraw/zinc/12/33/06/780123306.db2.gz XGCDFRKNQLXROH-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001207974163 780123378 /nfs/dbraw/zinc/12/33/78/780123378.db2.gz CEZTWZJHYNWIJD-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001208002334 780123842 /nfs/dbraw/zinc/12/38/42/780123842.db2.gz RXVNNIKDWKNAJZ-SNVBAGLBSA-N 0 3 294.359 -1.018 20 0 CAADHN C[C@H](CC(=O)N1CCC[C@H](NCC(N)=O)C1)NC(N)=O ZINC001208041629 780123857 /nfs/dbraw/zinc/12/38/57/780123857.db2.gz LGNIHBKEBIKSNE-BDAKNGLRSA-N 0 3 285.348 -1.501 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001208121467 780124027 /nfs/dbraw/zinc/12/40/27/780124027.db2.gz OGBBNPVOCQCCRH-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CCn1ncn(C)c1=O ZINC001208081654 780124062 /nfs/dbraw/zinc/12/40/62/780124062.db2.gz PVDBORRVHNREOJ-GHMZBOCLSA-N 0 3 297.359 -1.599 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208053430 780124099 /nfs/dbraw/zinc/12/40/99/780124099.db2.gz WAKSHXPJXITVHZ-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CC(=O)N1CCC[C@@H](NCC(N)=O)C1)NC(N)=O ZINC001208041632 780124112 /nfs/dbraw/zinc/12/41/12/780124112.db2.gz LGNIHBKEBIKSNE-RKDXNWHRSA-N 0 3 285.348 -1.501 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208052982 780124130 /nfs/dbraw/zinc/12/41/30/780124130.db2.gz JYHSHPWSDVLMBV-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001208121469 780124196 /nfs/dbraw/zinc/12/41/96/780124196.db2.gz OGBBNPVOCQCCRH-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001208290204 780124498 /nfs/dbraw/zinc/12/44/98/780124498.db2.gz RUQJOTABIBFETI-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001208279117 780124551 /nfs/dbraw/zinc/12/45/51/780124551.db2.gz ILOHYNUBCURDAX-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001208138613 780124682 /nfs/dbraw/zinc/12/46/82/780124682.db2.gz MRQWMDUSYAIFMP-RKDXNWHRSA-N 0 3 294.377 -2.531 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001208284758 780124712 /nfs/dbraw/zinc/12/47/12/780124712.db2.gz AWYGQHYSKQVIDU-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CN(CC(=O)N1CCC[C@H](NCC(N)=O)C1)C(=O)C1CC1 ZINC001208276381 780124757 /nfs/dbraw/zinc/12/47/57/780124757.db2.gz OMQAUMUUDUCHSR-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CN(CC(=O)N1CCC[C@@H](NCC(N)=O)C1)C(=O)C1CC1 ZINC001208276380 780125054 /nfs/dbraw/zinc/12/50/54/780125054.db2.gz OMQAUMUUDUCHSR-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC001208231340 780125225 /nfs/dbraw/zinc/12/52/25/780125225.db2.gz XSIIMBCDARVTHM-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC001208230329 780125341 /nfs/dbraw/zinc/12/53/41/780125341.db2.gz HJXLZHZCXAWINS-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001208265618 780125385 /nfs/dbraw/zinc/12/53/85/780125385.db2.gz WSDXZUHZPFLXQL-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001208294246 780125422 /nfs/dbraw/zinc/12/54/22/780125422.db2.gz AMNVGUVTSVLXPK-IJLUTSLNSA-N 0 3 299.371 -1.432 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001208279271 780125513 /nfs/dbraw/zinc/12/55/13/780125513.db2.gz MDAVARLQCNIDEO-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC001208231110 780125555 /nfs/dbraw/zinc/12/55/55/780125555.db2.gz RUUWOUGMNMAWRI-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001208370187 780126257 /nfs/dbraw/zinc/12/62/57/780126257.db2.gz SNPIVRKWLUUOKD-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC001208374378 780126474 /nfs/dbraw/zinc/12/64/74/780126474.db2.gz XUQJIMYIKINEKQ-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208449654 780126751 /nfs/dbraw/zinc/12/67/51/780126751.db2.gz APZPHSXTYMRHCO-HRDYMLBCSA-N 0 3 259.306 -2.085 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001208301713 780126900 /nfs/dbraw/zinc/12/69/00/780126900.db2.gz LGWXXUUTPDXRNR-OPRDCNLKSA-N 0 3 257.334 -1.073 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001208374380 780127322 /nfs/dbraw/zinc/12/73/22/780127322.db2.gz XUQJIMYIKINEKQ-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001208473695 780127997 /nfs/dbraw/zinc/12/79/97/780127997.db2.gz DBMFLLULWFRJOZ-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001208687346 780128253 /nfs/dbraw/zinc/12/82/53/780128253.db2.gz KYLAOBYTGPQORL-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001208687342 780128308 /nfs/dbraw/zinc/12/83/08/780128308.db2.gz KYLAOBYTGPQORL-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001208464556 780128412 /nfs/dbraw/zinc/12/84/12/780128412.db2.gz FDVPOCWVZIYSBD-NXEZZACHSA-N 0 3 293.389 -1.516 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001208473696 780128747 /nfs/dbraw/zinc/12/87/47/780128747.db2.gz DBMFLLULWFRJOZ-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208475024 780128779 /nfs/dbraw/zinc/12/87/79/780128779.db2.gz NZIPELBBLROAQX-RKDXNWHRSA-N 0 3 255.318 -1.319 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001208473694 780128825 /nfs/dbraw/zinc/12/88/25/780128825.db2.gz DBMFLLULWFRJOZ-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001208464745 780129231 /nfs/dbraw/zinc/12/92/31/780129231.db2.gz OXVFMLOCJORMFO-GHMZBOCLSA-N 0 3 299.371 -1.303 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001208944794 780129797 /nfs/dbraw/zinc/12/97/97/780129797.db2.gz WFFMCOFZRKYYQY-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001208944792 780130124 /nfs/dbraw/zinc/13/01/24/780130124.db2.gz WFFMCOFZRKYYQY-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCC[C@@H](NCCF)C1 ZINC001208758981 780130196 /nfs/dbraw/zinc/13/01/96/780130196.db2.gz PSJRDIVPRXWDKS-SECBINFHSA-N 0 3 296.368 -1.410 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001208943160 780130272 /nfs/dbraw/zinc/13/02/72/780130272.db2.gz OIWLZCVZGQIHBK-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001208942528 780130357 /nfs/dbraw/zinc/13/03/57/780130357.db2.gz LHOUMVUDZNBXTB-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)C(C)(C)C(N)=O)C1CC1 ZINC001276602529 780130435 /nfs/dbraw/zinc/13/04/35/780130435.db2.gz AEWBFJNTZHOJKN-VIFPVBQESA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)CCc1cnn[nH]1 ZINC001208763901 780130491 /nfs/dbraw/zinc/13/04/91/780130491.db2.gz TXBFUQFCUGPFIH-PSASIEDQSA-N 0 3 280.332 -1.341 20 0 CAADHN CNC(=O)CN1C[C@@H](C)[C@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001208721675 780130537 /nfs/dbraw/zinc/13/05/37/780130537.db2.gz IBFQZUHYGSVCPM-MWLCHTKSSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001209123267 780131346 /nfs/dbraw/zinc/13/13/46/780131346.db2.gz YXWCXBGQRKRZQW-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001209123269 780131416 /nfs/dbraw/zinc/13/14/16/780131416.db2.gz YXWCXBGQRKRZQW-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001209278230 780131656 /nfs/dbraw/zinc/13/16/56/780131656.db2.gz NSBOMRXJGGVYFB-SECBINFHSA-N 0 3 293.327 -1.290 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209039552 780131699 /nfs/dbraw/zinc/13/16/99/780131699.db2.gz KAGWNHZCAWBJJR-IUCAKERBSA-N 0 3 295.347 -1.461 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209040941 780131886 /nfs/dbraw/zinc/13/18/86/780131886.db2.gz XWLGPKBWTXKRJU-SECBINFHSA-N 0 3 295.347 -1.508 20 0 CAADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2C[C@H](O)[C@@H](CO)C2)O1 ZINC001209271944 780132008 /nfs/dbraw/zinc/13/20/08/780132008.db2.gz ZUGYEIYRSFYMRR-CSYMLDBXSA-N 0 3 291.344 -1.855 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H](C)CC(N)=O)C1 ZINC001208978066 780132080 /nfs/dbraw/zinc/13/20/80/780132080.db2.gz MGLNOWZSIPISFN-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001209278232 780132133 /nfs/dbraw/zinc/13/21/33/780132133.db2.gz NSBOMRXJGGVYFB-VIFPVBQESA-N 0 3 293.327 -1.290 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001209123268 780132138 /nfs/dbraw/zinc/13/21/38/780132138.db2.gz YXWCXBGQRKRZQW-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001208975329 780132202 /nfs/dbraw/zinc/13/22/02/780132202.db2.gz BSISRVQEVMMDLX-DTWKUNHWSA-N 0 3 270.333 -1.436 20 0 CAADHN CN(CC1CC1)C(=O)CN[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209355350 780132518 /nfs/dbraw/zinc/13/25/18/780132518.db2.gz JRPQULMRNKDTNH-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001209313339 780132577 /nfs/dbraw/zinc/13/25/77/780132577.db2.gz DLMZJDCXEPYDLE-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209355236 780132692 /nfs/dbraw/zinc/13/26/92/780132692.db2.gz IEZGWPBTQNHUNZ-JGVFFNPUSA-N 0 3 256.306 -1.813 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001209345739 780132830 /nfs/dbraw/zinc/13/28/30/780132830.db2.gz NHFNRUFLJMRUHO-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209355238 780133003 /nfs/dbraw/zinc/13/30/03/780133003.db2.gz IEZGWPBTQNHUNZ-YUMQZZPRSA-N 0 3 256.306 -1.813 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001209344797 780133047 /nfs/dbraw/zinc/13/30/47/780133047.db2.gz HHMSYBAOBOXVSB-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001276634739 780133167 /nfs/dbraw/zinc/13/31/67/780133167.db2.gz WONLUXIDLMASOU-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)C(N)=O)C1)C(=O)N(C)C ZINC001209357601 780133179 /nfs/dbraw/zinc/13/31/79/780133179.db2.gz VDROIKADJLXENC-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001276634741 780133314 /nfs/dbraw/zinc/13/33/14/780133314.db2.gz WONLUXIDLMASOU-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)C(N)=O)C1)C(=O)N(C)C ZINC001209357600 780133376 /nfs/dbraw/zinc/13/33/76/780133376.db2.gz VDROIKADJLXENC-DTWKUNHWSA-N 0 3 270.333 -1.471 20 0 CAADHN CN(CC1CC1)C(=O)CN[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209355348 780133457 /nfs/dbraw/zinc/13/34/57/780133457.db2.gz JRPQULMRNKDTNH-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H]2CN(CCO)C[C@H]2C)CC1 ZINC001209466898 780133843 /nfs/dbraw/zinc/13/38/43/780133843.db2.gz HOOTZXDRXFANDQ-NXEZZACHSA-N 0 3 269.345 -1.059 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209366996 780133901 /nfs/dbraw/zinc/13/39/01/780133901.db2.gz WWSMLVVDKKKJDU-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209386527 780133955 /nfs/dbraw/zinc/13/39/55/780133955.db2.gz KXWQJNFXXSVZQX-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN CCN(CC)C(=O)CN[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209385868 780134017 /nfs/dbraw/zinc/13/40/17/780134017.db2.gz IRFKITXLVFETAP-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209385929 780134057 /nfs/dbraw/zinc/13/40/57/780134057.db2.gz JEWRIDGXNHRASQ-SSDOTTSWSA-N 0 3 285.304 -2.492 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209365346 780134234 /nfs/dbraw/zinc/13/42/34/780134234.db2.gz HKMMTLGEMMYGLL-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN CC(C)N(C)C(=O)CN[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209385895 780134371 /nfs/dbraw/zinc/13/43/71/780134371.db2.gz IZSFRDDFEDBZRT-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209366997 780134578 /nfs/dbraw/zinc/13/45/78/780134578.db2.gz WWSMLVVDKKKJDU-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)C(N)=O)C1)C(=O)NC(N)=O ZINC001209367209 780134615 /nfs/dbraw/zinc/13/46/15/780134615.db2.gz ZHAWPHNHKZBPSG-RNFRBKRXSA-N 0 3 285.304 -2.364 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209365344 780134693 /nfs/dbraw/zinc/13/46/93/780134693.db2.gz HKMMTLGEMMYGLL-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](NC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001276648363 780135469 /nfs/dbraw/zinc/13/54/69/780135469.db2.gz LMBODNLGOISYPS-PSASIEDQSA-N 0 3 296.371 -1.129 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](NC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001276648364 780135640 /nfs/dbraw/zinc/13/56/40/780135640.db2.gz LMBODNLGOISYPS-SCZZXKLOSA-N 0 3 296.371 -1.129 20 0 CAADHN C[C@H](NC(=O)CNC[C@H](NC(=O)C(N)=O)C1CC1)C1CC1 ZINC001276648417 780135866 /nfs/dbraw/zinc/13/58/66/780135866.db2.gz MPHOEYBZHMSWLW-KWQFWETISA-N 0 3 296.371 -1.129 20 0 CAADHN C[C@H](NC[C@H](NC(=O)C(N)=O)C1CC1)C(=O)N(C)C ZINC001276648162 780135969 /nfs/dbraw/zinc/13/59/69/780135969.db2.gz HRFJGBIKSQXFSZ-CBAPKCEASA-N 0 3 270.333 -1.567 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](NC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001276648365 780136327 /nfs/dbraw/zinc/13/63/27/780136327.db2.gz LMBODNLGOISYPS-WCBMZHEXSA-N 0 3 296.371 -1.129 20 0 CAADHN COC[C@@H](OC)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001209544968 780136368 /nfs/dbraw/zinc/13/63/68/780136368.db2.gz YKPDNAYXILJWKV-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN COC[C@@H](OC)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001209544964 780136385 /nfs/dbraw/zinc/13/63/85/780136385.db2.gz YKPDNAYXILJWKV-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@@H](N[C@@H](C)C(N)=O)C2)CC1 ZINC001210106767 780137099 /nfs/dbraw/zinc/13/70/99/780137099.db2.gz JRQCJVJWIRRFFG-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)CC(=O)N(C)C)C1)C(N)=O ZINC001210029472 780137308 /nfs/dbraw/zinc/13/73/08/780137308.db2.gz OSKSTADNZYNCEU-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)CC(=O)N(C)C)C1)C(N)=O ZINC001210029473 780137546 /nfs/dbraw/zinc/13/75/46/780137546.db2.gz OSKSTADNZYNCEU-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001210176822 780137580 /nfs/dbraw/zinc/13/75/80/780137580.db2.gz ZASUYXKOELAVSX-JTQLQIEISA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)CC(=O)N(C)C)C1)C(N)=O ZINC001210029471 780137654 /nfs/dbraw/zinc/13/76/54/780137654.db2.gz OSKSTADNZYNCEU-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001209753078 780137684 /nfs/dbraw/zinc/13/76/84/780137684.db2.gz BOWYKUOCEWEXFT-WDEREUQCSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001210079902 780137944 /nfs/dbraw/zinc/13/79/44/780137944.db2.gz JLZACQXLTUXELX-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001210176824 780138082 /nfs/dbraw/zinc/13/80/82/780138082.db2.gz ZASUYXKOELAVSX-SNVBAGLBSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1 ZINC001210125271 780138102 /nfs/dbraw/zinc/13/81/02/780138102.db2.gz NDXWCJLMOQHZQK-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN CN(C)C(=O)CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001210027299 780138164 /nfs/dbraw/zinc/13/81/64/780138164.db2.gz AFWYSLOSDQGRMZ-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001209753076 780138278 /nfs/dbraw/zinc/13/82/78/780138278.db2.gz BOWYKUOCEWEXFT-MNOVXSKESA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)COCc1nncn1C ZINC001209929417 780138301 /nfs/dbraw/zinc/13/83/01/780138301.db2.gz UTVWGCTVXUKBIM-GHMZBOCLSA-N 0 3 297.359 -1.240 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001210125037 780138321 /nfs/dbraw/zinc/13/83/21/780138321.db2.gz KMDJYWLSTUYFRV-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CCC1 ZINC001210804049 780139440 /nfs/dbraw/zinc/13/94/40/780139440.db2.gz FDICTIKUMYHPMM-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)C(=O)NCC2CC2)C1)C(N)=O ZINC001210388320 780139478 /nfs/dbraw/zinc/13/94/78/780139478.db2.gz LBBUPDBWADGVOB-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN CN(C)C(=O)C1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1 ZINC001210603689 780139576 /nfs/dbraw/zinc/13/95/76/780139576.db2.gz QUJOKDFTPMCHOT-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001210750297 780139884 /nfs/dbraw/zinc/13/98/84/780139884.db2.gz BDIWBJSKOSOMJY-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H]1CN(C[C@@H](C)O)C[C@H]1C ZINC001211084646 780140403 /nfs/dbraw/zinc/14/04/03/780140403.db2.gz UQNBGMWYXYNPBZ-OPRDCNLKSA-N 0 3 293.389 -1.647 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211002948 780140411 /nfs/dbraw/zinc/14/04/11/780140411.db2.gz XWZCORKAPMFAPH-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001210974448 780140505 /nfs/dbraw/zinc/14/05/05/780140505.db2.gz DAYSFPVOKZIHNM-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001210974182 780140518 /nfs/dbraw/zinc/14/05/18/780140518.db2.gz AIXJOSFTGDRPPM-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211009289 780141038 /nfs/dbraw/zinc/14/10/38/780141038.db2.gz XICVKOFEYWVDNF-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CC[C@H]1NC(=O)NC1=O ZINC001210883506 780141230 /nfs/dbraw/zinc/14/12/30/780141230.db2.gz RDDGSZPPUZWOSA-OPRDCNLKSA-N 0 3 298.343 -1.597 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211002622 780141521 /nfs/dbraw/zinc/14/15/21/780141521.db2.gz UXZGSXLEYZWPBW-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN NC(=O)NCCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001211000376 780141697 /nfs/dbraw/zinc/14/16/97/780141697.db2.gz BPFDCQBPPXWGQB-VHSXEESVSA-N 0 3 297.359 -1.486 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1)C(N)=O ZINC001211002972 780141711 /nfs/dbraw/zinc/14/17/11/780141711.db2.gz YEHDMLIBJWHCPQ-RKDXNWHRSA-N 0 3 285.348 -1.501 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)CCNC(N)=O)C1 ZINC001211002952 780141775 /nfs/dbraw/zinc/14/17/75/780141775.db2.gz XWZCORKAPMFAPH-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001211248877 780142117 /nfs/dbraw/zinc/14/21/17/780142117.db2.gz IOJPQYMKXIXVQF-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001211248876 780142299 /nfs/dbraw/zinc/14/22/99/780142299.db2.gz IOJPQYMKXIXVQF-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001211248091 780142901 /nfs/dbraw/zinc/14/29/01/780142901.db2.gz DEGXAZBHLFVSET-VIFPVBQESA-N 0 3 291.373 -1.513 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CNC(=O)C2CCC2)C1 ZINC001211250919 780143169 /nfs/dbraw/zinc/14/31/69/780143169.db2.gz YFMOCEMPCKABOZ-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN CCN1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@H](OC)C1 ZINC001213829252 780145652 /nfs/dbraw/zinc/14/56/52/780145652.db2.gz PYXUYSZVYZQGOZ-IVZWLZJFSA-N 0 3 298.343 -1.190 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001214058938 780147395 /nfs/dbraw/zinc/14/73/95/780147395.db2.gz LIGIWXQPEVZEJB-MWLCHTKSSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(=O)COC)C[C@H]1C ZINC001214005094 780147517 /nfs/dbraw/zinc/14/75/17/780147517.db2.gz GODUOTQABSADLR-RKDXNWHRSA-N 0 3 286.332 -1.475 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CN(C(C)=O)C[C@H]1C ZINC001214007439 780147816 /nfs/dbraw/zinc/14/78/16/780147816.db2.gz FGDAINAFSBTMDX-VXNVDRBHSA-N 0 3 256.306 -1.102 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214059434 780148021 /nfs/dbraw/zinc/14/80/21/780148021.db2.gz ZJKMSIGBMYPYDH-MWLCHTKSSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CNC(C)=O)C[C@H]1C ZINC001214061112 780148049 /nfs/dbraw/zinc/14/80/49/780148049.db2.gz OADICPGIJCOEEA-FXPVBKGRSA-N 0 3 284.360 -1.307 20 0 CAADHN COCCC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214024173 780148616 /nfs/dbraw/zinc/14/86/16/780148616.db2.gz XHPVUQLKALBQFS-RKDXNWHRSA-N 0 3 286.332 -1.346 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214120759 780149163 /nfs/dbraw/zinc/14/91/63/780149163.db2.gz SQOQUKVARMHCAK-NXEZZACHSA-N 0 3 299.375 -1.384 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214120506 780149219 /nfs/dbraw/zinc/14/92/19/780149219.db2.gz GRHROAWKZPCUDK-HTQZYQBOSA-N 0 3 271.321 -2.163 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)C[C@H]1C ZINC001214095169 780149228 /nfs/dbraw/zinc/14/92/28/780149228.db2.gz XDXKZIAFNUWEQS-FXPVBKGRSA-N 0 3 284.360 -1.307 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1C ZINC001214087151 780149240 /nfs/dbraw/zinc/14/92/40/780149240.db2.gz JIBHCVUPCGCKFL-PSASIEDQSA-N 0 3 293.327 -1.022 20 0 CAADHN C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NCC(=O)N(C)C ZINC001214120408 780149341 /nfs/dbraw/zinc/14/93/41/780149341.db2.gz BCCRDHGZDKVQCN-RKDXNWHRSA-N 0 3 285.348 -1.821 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C1 ZINC001214183450 780149529 /nfs/dbraw/zinc/14/95/29/780149529.db2.gz GPZCITDVNWMHRJ-WCABBAIRSA-N 0 3 284.360 -1.225 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214097482 780149634 /nfs/dbraw/zinc/14/96/34/780149634.db2.gz BYZDNTGFHFURKL-KHQFGBGNSA-N 0 3 270.333 -1.567 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1C ZINC001214167993 780149697 /nfs/dbraw/zinc/14/96/97/780149697.db2.gz WIVFPJDTWVKJFT-MXWKQRLJSA-N 0 3 285.344 -1.416 20 0 CAADHN C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NCC(=O)NC1CC1 ZINC001214120619 780149799 /nfs/dbraw/zinc/14/97/99/780149799.db2.gz MJBWGODXNRUDCI-PSASIEDQSA-N 0 3 297.359 -1.630 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214116283 780149825 /nfs/dbraw/zinc/14/98/25/780149825.db2.gz LMOWLRWQUYTFEB-IWSPIJDZSA-N 0 3 285.348 -1.774 20 0 CAADHN C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NCC(N)=O ZINC001214120662 780149851 /nfs/dbraw/zinc/14/98/51/780149851.db2.gz OGMPKFSRAIRCQN-RNFRBKRXSA-N 0 3 257.294 -2.424 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C)C(N)=O ZINC001214118744 780149952 /nfs/dbraw/zinc/14/99/52/780149952.db2.gz WYKCLLQVZXFLQY-BWZBUEFSSA-N 0 3 271.321 -2.035 20 0 CAADHN C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1N[C@@H]1CCNC1=O ZINC001214120844 780150049 /nfs/dbraw/zinc/15/00/49/780150049.db2.gz XPTJAHVTVPCOAZ-IWSPIJDZSA-N 0 3 283.332 -2.020 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C1 ZINC001214349677 780150765 /nfs/dbraw/zinc/15/07/65/780150765.db2.gz KIJSXGQCDALNPS-KXUCPTDWSA-N 0 3 284.360 -1.177 20 0 CAADHN COCCOCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C1 ZINC001214353217 780150791 /nfs/dbraw/zinc/15/07/91/780150791.db2.gz IGEXPWFYVCQDIS-GMTAPVOTSA-N 0 3 287.360 -1.040 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C)C(=O)NC1CC1 ZINC001214373151 780150890 /nfs/dbraw/zinc/15/08/90/780150890.db2.gz NCIWTCVDFWXAJL-FXPVBKGRSA-N 0 3 296.371 -1.035 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C ZINC001214200919 780151016 /nfs/dbraw/zinc/15/10/16/780151016.db2.gz DRZLXSSSPIABHZ-MWLCHTKSSA-N 0 3 296.371 -1.305 20 0 CAADHN CO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214230951 780151054 /nfs/dbraw/zinc/15/10/54/780151054.db2.gz LOSLPPYUOSAPQD-HRDYMLBCSA-N 0 3 286.332 -1.347 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214369944 780151080 /nfs/dbraw/zinc/15/10/80/780151080.db2.gz CHCVJMPUUGRHSA-HRDYMLBCSA-N 0 3 270.333 -1.567 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)COCCOC)C[C@H]1C ZINC001214351886 780151148 /nfs/dbraw/zinc/15/11/48/780151148.db2.gz HXLPDZSSOBZCNK-GHMZBOCLSA-N 0 3 287.360 -1.168 20 0 CAADHN COCCOCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001214353611 780151254 /nfs/dbraw/zinc/15/12/54/780151254.db2.gz RHKFNRBDOSPGTR-GRYCIOLGSA-N 0 3 299.371 -1.026 20 0 CAADHN CCCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214252440 780151323 /nfs/dbraw/zinc/15/13/23/780151323.db2.gz HYMURCAOHWOJAS-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN COC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214226995 780151373 /nfs/dbraw/zinc/15/13/73/780151373.db2.gz JEJVMPPGPRCITL-HTQZYQBOSA-N 0 3 272.305 -1.736 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C1 ZINC001214349678 780151429 /nfs/dbraw/zinc/15/14/29/780151429.db2.gz KIJSXGQCDALNPS-OPRDCNLKSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C)C(=O)N(C)C ZINC001214370126 780151466 /nfs/dbraw/zinc/15/14/66/780151466.db2.gz LTSVIAIKDILZSK-OPRDCNLKSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NCCS(C)(=O)=O ZINC001214370229 780151479 /nfs/dbraw/zinc/15/14/79/780151479.db2.gz PTASMLMUKXGAAA-RKDXNWHRSA-N 0 3 291.373 -1.657 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C)C(N)=O ZINC001214212443 780151523 /nfs/dbraw/zinc/15/15/23/780151523.db2.gz CTUXJZVLVLUGRZ-FXPVBKGRSA-N 0 3 296.371 -1.177 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001214349952 780151559 /nfs/dbraw/zinc/15/15/59/780151559.db2.gz XSDJLFUYAGYNEV-GMTAPVOTSA-N 0 3 296.371 -1.162 20 0 CAADHN COCCOCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001214353612 780151674 /nfs/dbraw/zinc/15/16/74/780151674.db2.gz RHKFNRBDOSPGTR-IJLUTSLNSA-N 0 3 299.371 -1.026 20 0 CAADHN CCCNC(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214370212 780151712 /nfs/dbraw/zinc/15/17/12/780151712.db2.gz PECLCEKVUPWQOJ-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214508633 780152511 /nfs/dbraw/zinc/15/25/11/780152511.db2.gz VMRWGNWDMRYLBX-GJMOJQLCSA-N 0 3 271.321 -2.035 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214369938 780151882 /nfs/dbraw/zinc/15/18/82/780151882.db2.gz CAVPLVCLGJWRLV-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214501604 780152524 /nfs/dbraw/zinc/15/25/24/780152524.db2.gz IBDLXTCHXDOZBC-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)Cc2nnc(C)[nH]2)C[C@H]1C ZINC001214586474 780152580 /nfs/dbraw/zinc/15/25/80/780152580.db2.gz ZGABOLYGFBFFGY-PSASIEDQSA-N 0 3 294.359 -1.162 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C ZINC001214541807 780152635 /nfs/dbraw/zinc/15/26/35/780152635.db2.gz JTJOTXFPWDKOSC-IWSPIJDZSA-N 0 3 284.316 -1.723 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C ZINC001214469956 780153087 /nfs/dbraw/zinc/15/30/87/780153087.db2.gz CJTSJACGRAMPIO-RKDXNWHRSA-N 0 3 296.331 -1.834 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001214544052 780153230 /nfs/dbraw/zinc/15/32/30/780153230.db2.gz ZVRSTNAGOLDRFJ-RKDXNWHRSA-N 0 3 280.332 -1.389 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214564076 780153257 /nfs/dbraw/zinc/15/32/57/780153257.db2.gz HXQCEOGDTBSUFR-RKDXNWHRSA-N 0 3 285.348 -1.773 20 0 CAADHN CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214482514 780153293 /nfs/dbraw/zinc/15/32/93/780153293.db2.gz YXUUSOABFZFGET-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001214506250 780153306 /nfs/dbraw/zinc/15/33/06/780153306.db2.gz NFFLHHKEPABNIE-GMTAPVOTSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214501619 780153323 /nfs/dbraw/zinc/15/33/23/780153323.db2.gz ITULCCZFIIGGPL-HTQZYQBOSA-N 0 3 256.306 -1.956 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001214557828 780153336 /nfs/dbraw/zinc/15/33/36/780153336.db2.gz LCXYKJSICJBJLB-OPRDCNLKSA-N 0 3 294.359 -1.000 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214553672 780153396 /nfs/dbraw/zinc/15/33/96/780153396.db2.gz YUGVHACSNUIQTF-KXUCPTDWSA-N 0 3 294.359 -1.000 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214721065 780153999 /nfs/dbraw/zinc/15/39/99/780153999.db2.gz JRVXNZGHHCLBHT-NXEZZACHSA-N 0 3 280.332 -1.539 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214692625 780154182 /nfs/dbraw/zinc/15/41/82/780154182.db2.gz DVSBSOAPLJRDPP-OPRDCNLKSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1C ZINC001214902326 780154194 /nfs/dbraw/zinc/15/41/94/780154194.db2.gz KCEKBYCBSQUJKB-GMTAPVOTSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214784401 780154397 /nfs/dbraw/zinc/15/43/97/780154397.db2.gz BVKWKAABJRDKJA-HTQZYQBOSA-N 0 3 271.321 -2.163 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001214784620 780154416 /nfs/dbraw/zinc/15/44/16/780154416.db2.gz NBXLXFPWLWVROP-RKDXNWHRSA-N 0 3 285.348 -1.902 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1C ZINC001214882080 780154499 /nfs/dbraw/zinc/15/44/99/780154499.db2.gz AHLGVFGKYIOZIK-XZUYRWCXSA-N 0 3 299.371 -1.027 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214720993 780154535 /nfs/dbraw/zinc/15/45/35/780154535.db2.gz GYKGXEJIQZZPTP-GMTAPVOTSA-N 0 3 294.359 -1.151 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214640942 780154546 /nfs/dbraw/zinc/15/45/46/780154546.db2.gz QMFCKGQNNMDUJG-KXUCPTDWSA-N 0 3 295.347 -1.756 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001214784701 780154567 /nfs/dbraw/zinc/15/45/67/780154567.db2.gz QSBKHCGVQZSGCX-OPRDCNLKSA-N 0 3 297.359 -1.760 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001215317186 780155067 /nfs/dbraw/zinc/15/50/67/780155067.db2.gz XSGZBZWIFQYFTF-IWSPIJDZSA-N 0 3 270.333 -1.580 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C ZINC001215409622 780155082 /nfs/dbraw/zinc/15/50/82/780155082.db2.gz BDQDJPUJOUIULW-PSASIEDQSA-N 0 3 293.327 -1.434 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CN(C)C(=O)N2)C[C@H]1C ZINC001215309051 780155203 /nfs/dbraw/zinc/15/52/03/780155203.db2.gz BXNDEEPPADUJDP-OPRDCNLKSA-N 0 3 297.359 -1.808 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCN(C)C2=O)C[C@H]1C ZINC001215356273 780155285 /nfs/dbraw/zinc/15/52/85/780155285.db2.gz VGBXRGZSUPITQV-OUAUKWLOSA-N 0 3 296.371 -1.353 20 0 CAADHN COC[C@]1(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)CCOC1 ZINC001215242732 780155351 /nfs/dbraw/zinc/15/53/51/780155351.db2.gz TVASIIGONPOPBV-JTNHKYCSSA-N 0 3 299.371 -1.039 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCN(C)C2=O)C[C@H]1C ZINC001215356272 780155424 /nfs/dbraw/zinc/15/54/24/780155424.db2.gz VGBXRGZSUPITQV-GMTAPVOTSA-N 0 3 296.371 -1.353 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1C ZINC001215316981 780155463 /nfs/dbraw/zinc/15/54/63/780155463.db2.gz QUCPUZDTEDKQBA-OUAUKWLOSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215333659 780155640 /nfs/dbraw/zinc/15/56/40/780155640.db2.gz AAFDXAWJFJJUOW-HRDYMLBCSA-N 0 3 295.347 -1.605 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1C ZINC001215033814 780155672 /nfs/dbraw/zinc/15/56/72/780155672.db2.gz NSPWZGSJGZNCBG-OUAUKWLOSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCNC2=O)C[C@H]1NCC(=O)N(C)C ZINC001215309933 780155692 /nfs/dbraw/zinc/15/56/92/780155692.db2.gz ZHMUZTANNDWFLB-OUAUKWLOSA-N 0 3 296.371 -1.353 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2C)C[C@H]1C ZINC001215385761 780155713 /nfs/dbraw/zinc/15/57/13/780155713.db2.gz YXCIGSSVQRTKLB-GMTAPVOTSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)NC(C)(C)C ZINC001215439043 780156223 /nfs/dbraw/zinc/15/62/23/780156223.db2.gz KQBBWKWLCHWJTR-RKDXNWHRSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)NC(N)=O ZINC001215439219 780156268 /nfs/dbraw/zinc/15/62/68/780156268.db2.gz RRDRYEUSCRRUOE-PHDIDXHHSA-N 0 3 271.277 -2.897 20 0 CAADHN COC1(CO)CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000402912994 780156362 /nfs/dbraw/zinc/15/63/62/780156362.db2.gz WPWOVFOSXMPYEP-UHFFFAOYSA-N 0 3 299.371 -1.192 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1C ZINC001215463352 780156391 /nfs/dbraw/zinc/15/63/91/780156391.db2.gz SVKFGPDKVUPSEU-RKDXNWHRSA-N 0 3 295.343 -1.078 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)NC1CC1 ZINC001215438910 780156547 /nfs/dbraw/zinc/15/65/47/780156547.db2.gz IQSMLPBILOKBKH-VXNVDRBHSA-N 0 3 268.317 -1.813 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215438822 780156601 /nfs/dbraw/zinc/15/66/01/780156601.db2.gz GHDVMPJEEZWWSH-HTQZYQBOSA-N 0 3 299.331 -2.246 20 0 CAADHN CCCNC(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215439125 780156629 /nfs/dbraw/zinc/15/66/29/780156629.db2.gz OJZLEUJOZCNJTP-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)NC1CCCC1 ZINC001215439363 780156703 /nfs/dbraw/zinc/15/67/03/780156703.db2.gz XXLIQFQYJVBUKU-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215438908 780156737 /nfs/dbraw/zinc/15/67/37/780156737.db2.gz IORIPLDPNQFOKZ-KXUCPTDWSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H](COC)OC)C[C@H]1C ZINC001215493162 780156759 /nfs/dbraw/zinc/15/67/59/780156759.db2.gz ISFJYFYVZSQWAE-MXWKQRLJSA-N 0 3 287.360 -1.170 20 0 CAADHN C[C@@H]1CN(C(=O)COC[C@H]2CCOC2)C[C@H]1NCC(N)=O ZINC001215754871 780156788 /nfs/dbraw/zinc/15/67/88/780156788.db2.gz NDTVCBBKPMZXCI-GRYCIOLGSA-N 0 3 299.371 -1.039 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001215617642 780156795 /nfs/dbraw/zinc/15/67/95/780156795.db2.gz WKNGALQMBXJKDO-FBIMIBRVSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](COC)OC)C[C@H]1C ZINC001215493161 780156806 /nfs/dbraw/zinc/15/68/06/780156806.db2.gz ISFJYFYVZSQWAE-GMTAPVOTSA-N 0 3 287.360 -1.170 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)NCC1CC1 ZINC001215439074 780156879 /nfs/dbraw/zinc/15/68/79/780156879.db2.gz LYLYLTNQYNZMNS-PSASIEDQSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001215879098 780157016 /nfs/dbraw/zinc/15/70/16/780157016.db2.gz SROCEIRBEYFJQI-GMTAPVOTSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N(C)CC1CC1 ZINC001215438816 780157035 /nfs/dbraw/zinc/15/70/35/780157035.db2.gz GAKUEIKUIVVNGT-MWLCHTKSSA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215907778 780157845 /nfs/dbraw/zinc/15/78/45/780157845.db2.gz ORABDKSAMIXGEC-FXPVBKGRSA-N 0 3 294.359 -1.000 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C)C(N)=O ZINC001216109624 780158282 /nfs/dbraw/zinc/15/82/82/780158282.db2.gz VMSOMYRGXQXACW-FXPVBKGRSA-N 0 3 296.371 -1.177 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001215907568 780158452 /nfs/dbraw/zinc/15/84/52/780158452.db2.gz DLPKVYAVDGGPRO-PSASIEDQSA-N 0 3 280.332 -1.389 20 0 CAADHN C[C@@H](CN1CCOCC1)NS(=O)(=O)C1CNC1 ZINC000405102498 780159084 /nfs/dbraw/zinc/15/90/84/780159084.db2.gz NPTJOWVUCGMVGM-VIFPVBQESA-N 0 3 263.363 -1.402 20 0 CAADHN C[C@@H]1CN(C(=O)CNC(=O)C2CCC2)C[C@H]1NCC(N)=O ZINC001216840741 780159191 /nfs/dbraw/zinc/15/91/91/780159191.db2.gz DBCXJYIKNHAGHW-MWLCHTKSSA-N 0 3 296.371 -1.176 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NCCF)C1 ZINC001216772789 780159330 /nfs/dbraw/zinc/15/93/30/780159330.db2.gz KSQGWPLEIBGZQM-RKDXNWHRSA-N 0 3 281.353 -1.058 20 0 CAADHN C[C@H](CN1CCOCC1)NS(=O)(=O)C1CNC1 ZINC000405102496 780159530 /nfs/dbraw/zinc/15/95/30/780159530.db2.gz NPTJOWVUCGMVGM-SECBINFHSA-N 0 3 263.363 -1.402 20 0 CAADHN CN1CCN(S(=O)(=O)C2CNC2)C(C)(C)C1=O ZINC000405140593 780159633 /nfs/dbraw/zinc/15/96/33/780159633.db2.gz FEMNNOBHHRWFEY-UHFFFAOYSA-N 0 3 261.347 -1.159 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CCNC(N)=O)C[C@H]1C ZINC001216722891 780159828 /nfs/dbraw/zinc/15/98/28/780159828.db2.gz GXULUPQMJISYPB-OPRDCNLKSA-N 0 3 299.375 -1.384 20 0 CAADHN CCOCCOCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001216857534 780159857 /nfs/dbraw/zinc/15/98/57/780159857.db2.gz XPXXIXUHUWFQIV-GHMZBOCLSA-N 0 3 287.360 -1.039 20 0 CAADHN C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1N[C@H]1CCNC1=O ZINC001217022605 780159893 /nfs/dbraw/zinc/15/98/93/780159893.db2.gz XQWRGELLGHMEQS-OUAUKWLOSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H]1CN(C(=O)CCCC(N)=O)C[C@H]1N[C@@H]1CCNC1=O ZINC001217022604 780159933 /nfs/dbraw/zinc/15/99/33/780159933.db2.gz XQWRGELLGHMEQS-GMTAPVOTSA-N 0 3 296.371 -1.033 20 0 CAADHN CN1CCN(C)[C@@H](CNS(=O)(=O)C2CNC2)C1 ZINC000405094360 780159969 /nfs/dbraw/zinc/15/99/69/780159969.db2.gz IOODHFISECNHJK-VIFPVBQESA-N 0 3 262.379 -1.877 20 0 CAADHN CCCN1C[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC001217269800 780160912 /nfs/dbraw/zinc/16/09/12/780160912.db2.gz CFWDEMMPBQUVSO-VHSXEESVSA-N 0 3 270.333 -1.024 20 0 CAADHN Nc1ncn(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000405320728 780161523 /nfs/dbraw/zinc/16/15/23/780161523.db2.gz RGXSTMXHGYORBU-DTWKUNHWSA-N 0 3 266.305 -2.032 20 0 CAADHN O=C1CCC(=O)N1CCNS(=O)(=O)N1CCNCC1 ZINC000405279891 780161581 /nfs/dbraw/zinc/16/15/81/780161581.db2.gz ASFNZNBLMPHSBZ-UHFFFAOYSA-N 0 3 290.345 -2.125 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)c1nnc([C@H]2CCOC2)o1 ZINC001217747204 780162310 /nfs/dbraw/zinc/16/23/10/780162310.db2.gz CWUZWIUZOHAPDI-FXQIFTODSA-N 0 3 297.315 -1.047 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)c1nnc([C@@H]2CCOC2)o1 ZINC001217747205 780162662 /nfs/dbraw/zinc/16/26/62/780162662.db2.gz CWUZWIUZOHAPDI-RNJXMRFFSA-N 0 3 297.315 -1.047 20 0 CAADHN NCC(=O)N[C@@H](CO)c1nnc([C@H]2CCOC2)o1 ZINC001217745574 780163294 /nfs/dbraw/zinc/16/32/94/780163294.db2.gz ABPKLZWCLDBAFF-BQBZGAKWSA-N 0 3 256.262 -1.318 20 0 CAADHN Cn1nnnc1NC(=O)CN1CCCC[C@H](N)C1=O ZINC001218496592 780165626 /nfs/dbraw/zinc/16/56/26/780165626.db2.gz MCGLYJLVXKQKFF-ZETCQYMHSA-N 0 3 267.293 -1.512 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc[nH]n1 ZINC001218504127 780165746 /nfs/dbraw/zinc/16/57/46/780165746.db2.gz BWCJGQMFMNVEJI-WDSKDSINSA-N 0 3 268.277 -1.944 20 0 CAADHN Cc1cc(NC(=O)[C@H]2COC3(CNC3)CN2)n[nH]1 ZINC001218498281 780165775 /nfs/dbraw/zinc/16/57/75/780165775.db2.gz DJAJHTNQFQKEFB-MRVPVSSYSA-N 0 3 251.290 -1.013 20 0 CAADHN Cn1[nH]cnc1=NC(=O)CN1CCCC[C@H](N)C1=O ZINC001218502120 780165893 /nfs/dbraw/zinc/16/58/93/780165893.db2.gz ZADHWYPZSSXXFJ-QMMMGPOBSA-N 0 3 266.305 -1.485 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccn(C)n1 ZINC001218497469 780166105 /nfs/dbraw/zinc/16/61/05/780166105.db2.gz MQNPLEAZKISKLK-BQBZGAKWSA-N 0 3 282.304 -1.934 20 0 CAADHN Cn1ccnc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218498348 780166130 /nfs/dbraw/zinc/16/61/30/780166130.db2.gz UHWUKXAPUZAQKW-QMMMGPOBSA-N 0 3 251.290 -1.311 20 0 CAADHN COc1nn(C)cc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218505129 780166173 /nfs/dbraw/zinc/16/61/73/780166173.db2.gz NFZSXEUQYWNSRT-VIFPVBQESA-N 0 3 281.316 -1.302 20 0 CAADHN Cn1ccc(NC(=O)[C@@H]2COC3(CNC3)CN2)n1 ZINC001218497721 780166233 /nfs/dbraw/zinc/16/62/33/780166233.db2.gz STJFGOOPFXOING-QMMMGPOBSA-N 0 3 251.290 -1.311 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515768 780166729 /nfs/dbraw/zinc/16/67/29/780166729.db2.gz LTYRDODZJGOWBN-LURJTMIESA-N 0 3 273.260 -1.021 20 0 CAADHN N[C@@H](C(=O)N=c1ncnc2[nH][n-]cc1-2)C1CC[NH2+]CC1 ZINC001218518311 780166971 /nfs/dbraw/zinc/16/69/71/780166971.db2.gz OZJSNXCZAPIFMZ-SECBINFHSA-N 0 3 275.316 -1.008 20 0 CAADHN NC1(C(=O)N=c2ncnc3[nH][n-]cc2-3)CC[NH2+]CC1 ZINC001218517342 780167456 /nfs/dbraw/zinc/16/74/56/780167456.db2.gz HZKUKLRKPIVXKK-UHFFFAOYSA-N 0 3 261.289 -1.254 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1ncccc1O ZINC001218540183 780168292 /nfs/dbraw/zinc/16/82/92/780168292.db2.gz VPWYDMQGDUYEKJ-BQBZGAKWSA-N 0 3 268.273 -1.450 20 0 CAADHN C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)Nc1ncccc1[O-] ZINC001218540183 780168297 /nfs/dbraw/zinc/16/82/97/780168297.db2.gz VPWYDMQGDUYEKJ-BQBZGAKWSA-N 0 3 268.273 -1.450 20 0 CAADHN O=C(N=c1ncnc2[nH][nH]cc1-2)[C@H]1COC2(CNC2)CN1 ZINC001218518942 780168306 /nfs/dbraw/zinc/16/83/06/780168306.db2.gz WUYLARQAYBMJEU-MRVPVSSYSA-N 0 3 289.299 -2.005 20 0 CAADHN CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1ncccc1[O-] ZINC001218539534 780168458 /nfs/dbraw/zinc/16/84/58/780168458.db2.gz JSMMJDXTBQIWEX-UHFFFAOYSA-N 0 3 288.329 -1.054 20 0 CAADHN Cc1noc([N-]C(=O)[C@@]23C[NH2+]C[C@@H]2CCN3)c1C(N)=O ZINC001218551240 780169953 /nfs/dbraw/zinc/16/99/53/780169953.db2.gz KIBPSQMENPPRKS-JVXZTZIISA-N 0 3 279.300 -1.028 20 0 CAADHN Cc1noc([N-]C(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1C(N)=O ZINC001218551698 780170102 /nfs/dbraw/zinc/17/01/02/780170102.db2.gz SWJYVHUDYWTLCU-WDSKDSINSA-N 0 3 254.246 -1.257 20 0 CAADHN Cc1nonc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218562366 780170173 /nfs/dbraw/zinc/17/01/73/780170173.db2.gz QYUTXUHXQYDUOH-SSDOTTSWSA-N 0 3 253.262 -1.353 20 0 CAADHN Cc1nc(NC(=O)[C@@H]2COC3(C[NH2+]C3)CN2)cc(=O)[n-]1 ZINC001218565028 780170559 /nfs/dbraw/zinc/17/05/59/780170559.db2.gz PDLSEEZASPBZHG-QMMMGPOBSA-N 0 3 279.300 -1.240 20 0 CAADHN Cc1noc([N-]C(=O)[C@]23C[NH2+]C[C@H]2CCN3)c1C(N)=O ZINC001218551241 780170575 /nfs/dbraw/zinc/17/05/75/780170575.db2.gz KIBPSQMENPPRKS-KRTXAFLBSA-N 0 3 279.300 -1.028 20 0 CAADHN Cc1nonc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218562367 780170792 /nfs/dbraw/zinc/17/07/92/780170792.db2.gz QYUTXUHXQYDUOH-ZETCQYMHSA-N 0 3 253.262 -1.353 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)Nc1cn[nH]c1C(N)=O ZINC001218565226 780170947 /nfs/dbraw/zinc/17/09/47/780170947.db2.gz QWIYTJKRFXQLMO-ZETCQYMHSA-N 0 3 280.288 -1.603 20 0 CAADHN COc1cc(NC(=O)[C@H]2COC3(CNC3)CN2)no1 ZINC001218574027 780171790 /nfs/dbraw/zinc/17/17/90/780171790.db2.gz NXGYPGCXJYLYOF-SSDOTTSWSA-N 0 3 268.273 -1.048 20 0 CAADHN O=C(Nc1nccnc1N1CCOCC1)[C@@H]1CNCCN1 ZINC001218571567 780171833 /nfs/dbraw/zinc/17/18/33/780171833.db2.gz XFWYQWONAAAWSJ-JTQLQIEISA-N 0 3 292.343 -1.187 20 0 CAADHN O=C(Nc1[nH]nc2nccnc21)[C@H]1COC2(CNC2)CN1 ZINC001218569132 780171854 /nfs/dbraw/zinc/17/18/54/780171854.db2.gz UCOZEAPGIKCSRP-SSDOTTSWSA-N 0 3 289.299 -1.427 20 0 CAADHN NC[C@H](N)C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218576714 780171916 /nfs/dbraw/zinc/17/19/16/780171916.db2.gz ZAKKLDUIZBQNGA-QMMMGPOBSA-N 0 3 266.305 -1.462 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccnnc1 ZINC001218569319 780171961 /nfs/dbraw/zinc/17/19/61/780171961.db2.gz YHEDSURIERRNRJ-XPUUQOCRSA-N 0 3 280.288 -1.878 20 0 CAADHN CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cncc([O-])c1 ZINC001218573494 780172162 /nfs/dbraw/zinc/17/21/62/780172162.db2.gz HLPYTIMNTPIDLM-UHFFFAOYSA-N 0 3 288.329 -1.054 20 0 CAADHN Nc1c(=O)c(=O)c1NC(=O)[C@@H](N)C1CCC(O)CC1 ZINC001218586456 780172904 /nfs/dbraw/zinc/17/29/04/780172904.db2.gz CNMFXURVNBCYMF-AHXFUIDQSA-N 0 3 267.285 -1.318 20 0 CAADHN CS(=O)(=O)N(CCN)CC(=O)Nc1c(N)c(=O)c1=O ZINC001218588319 780173081 /nfs/dbraw/zinc/17/30/81/780173081.db2.gz SXNZTAZDCJHTIT-UHFFFAOYSA-N 0 3 290.301 -2.976 20 0 CAADHN COc1ncc(NC(=O)[C@@H]2COC3(CNC3)CN2)cn1 ZINC001218589544 780173229 /nfs/dbraw/zinc/17/32/29/780173229.db2.gz AFDUJZOGLMFQJM-VIFPVBQESA-N 0 3 279.300 -1.246 20 0 CAADHN CC(=O)Nc1cc(NC(=O)[C@@H]2CNCCN2)ncn1 ZINC001218610560 780174641 /nfs/dbraw/zinc/17/46/41/780174641.db2.gz QLQOOQYPVYSLAV-QMMMGPOBSA-N 0 3 264.289 -1.065 20 0 CAADHN NC(=O)c1nccnc1NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001218616920 780174846 /nfs/dbraw/zinc/17/48/46/780174846.db2.gz BEINKVLHPXXGFS-SSDOTTSWSA-N 0 3 275.272 -1.193 20 0 CAADHN NC(=O)c1nccnc1NC(=O)[C@H](N)Cc1cnc[nH]1 ZINC001218616920 780174852 /nfs/dbraw/zinc/17/48/52/780174852.db2.gz BEINKVLHPXXGFS-SSDOTTSWSA-N 0 3 275.272 -1.193 20 0 CAADHN NC(=O)c1nccnc1NC(=O)[C@@H]1CNCCN1 ZINC001218617520 780175090 /nfs/dbraw/zinc/17/50/90/780175090.db2.gz HXSMMKZDUMFQMF-LURJTMIESA-N 0 3 250.262 -1.925 20 0 CAADHN COC(=O)Cn1cc(NC(=O)[C@@H]2CNCCN2)cn1 ZINC001218609519 780175387 /nfs/dbraw/zinc/17/53/87/780175387.db2.gz FWZDXVKQJLZLAX-VIFPVBQESA-N 0 3 267.289 -1.444 20 0 CAADHN NC(=O)c1nccnc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218618151 780175408 /nfs/dbraw/zinc/17/54/08/780175408.db2.gz OHDYNLYYWYQDBG-SSDOTTSWSA-N 0 3 292.299 -2.156 20 0 CAADHN Cn1ncc(NC(=O)[C@@H]2COC3(CNC3)CN2)n1 ZINC001218628979 780176459 /nfs/dbraw/zinc/17/64/59/780176459.db2.gz NJYARKFGXPESQA-ZETCQYMHSA-N 0 3 252.278 -1.916 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)n2cc(N)c(N)n2)COC1(C)C ZINC001218627333 780176511 /nfs/dbraw/zinc/17/65/11/780176511.db2.gz SMRZUGOKEFYNMF-XPUUQOCRSA-N 0 3 296.331 -1.002 20 0 CAADHN Cn1cc(NC(=O)[C@H]2COC3(CNC3)CN2)nn1 ZINC001218628452 780176786 /nfs/dbraw/zinc/17/67/86/780176786.db2.gz JISVEQLELPGHHN-SSDOTTSWSA-N 0 3 252.278 -1.916 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnc(N)cn1 ZINC001218628189 780176849 /nfs/dbraw/zinc/17/68/49/780176849.db2.gz WQKLVKKYBNMWCO-WDSKDSINSA-N 0 3 295.303 -2.295 20 0 CAADHN N=c1c(N)cnc(Cl)n1C(=O)[C@@H]1CNCCN1 ZINC001218621649 780177001 /nfs/dbraw/zinc/17/70/01/780177001.db2.gz LSEJVYPDRLOVJX-LURJTMIESA-N 0 3 256.697 -1.200 20 0 CAADHN O=C(Nc1cn[nH]c(=O)c1)[C@@H]1COC2(CNC2)CN1 ZINC001218651718 780177991 /nfs/dbraw/zinc/17/79/91/780177991.db2.gz DFIRIGNSUUGIDP-QMMMGPOBSA-N 0 3 265.273 -1.549 20 0 CAADHN CSc1[n-]nc(NC(=O)[C@@]2(N)CC[NH2+]C2)c1C(N)=O ZINC001218638767 780178101 /nfs/dbraw/zinc/17/81/01/780178101.db2.gz SXPDGWQPVCUVSB-SNVBAGLBSA-N 0 3 284.345 -1.140 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1c[nH]cn1 ZINC001218631879 780178690 /nfs/dbraw/zinc/17/86/90/780178690.db2.gz MOGLOHHMQXOMFU-WDSKDSINSA-N 0 3 268.277 -1.944 20 0 CAADHN COc1nccc(N)c1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218633470 780178705 /nfs/dbraw/zinc/17/87/05/780178705.db2.gz JNHDBIDFBKCGHO-VIFPVBQESA-N 0 3 293.327 -1.059 20 0 CAADHN Nc1ncc(Cl)nc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218652615 780178769 /nfs/dbraw/zinc/17/87/69/780178769.db2.gz MDCMTCAMZMIUFK-LURJTMIESA-N 0 3 298.734 -1.019 20 0 CAADHN COc1nccc(N)c1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218633466 780178856 /nfs/dbraw/zinc/17/88/56/780178856.db2.gz JNHDBIDFBKCGHO-SECBINFHSA-N 0 3 293.327 -1.059 20 0 CAADHN Nc1cc[nH]c(=O)c1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218678085 780179428 /nfs/dbraw/zinc/17/94/28/780179428.db2.gz DRXOMAMXTQMPKR-QMMMGPOBSA-N 0 3 279.300 -1.362 20 0 CAADHN [NH3+][C@H]1CN[C@H](C(=O)Nc2[nH]c(=O)[n-]c(=O)c2N=O)C1 ZINC001218670902 780180410 /nfs/dbraw/zinc/18/04/10/780180410.db2.gz KENWNTMJXZACNO-DMTCNVIQSA-N 0 3 268.233 -1.087 20 0 CAADHN NC[C@H](N)C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218668782 780180513 /nfs/dbraw/zinc/18/05/13/780180513.db2.gz HYVWGUVIQYVXOB-NSHDSACASA-N 0 3 282.348 -1.560 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)Nc1oncc1C(N)=O ZINC001218702237 780181042 /nfs/dbraw/zinc/18/10/42/780181042.db2.gz MZZHFJOYUMHNRZ-ZCFIWIBFSA-N 0 3 284.276 -1.512 20 0 CAADHN Cc1ncn(C)c1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218698125 780181325 /nfs/dbraw/zinc/18/13/25/780181325.db2.gz OMXZWVRUZCIERO-VIFPVBQESA-N 0 3 265.317 -1.003 20 0 CAADHN NC(=O)c1cnoc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218702156 780181397 /nfs/dbraw/zinc/18/13/97/780181397.db2.gz MRQRQLLXFRHBLN-SSDOTTSWSA-N 0 3 281.272 -1.958 20 0 CAADHN Cc1ncn(C)c1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218698124 780181725 /nfs/dbraw/zinc/18/17/25/780181725.db2.gz OMXZWVRUZCIERO-SECBINFHSA-N 0 3 265.317 -1.003 20 0 CAADHN CCOc1cc(N)n(C(=O)[C@@H]2CNCCN2)c(=N)n1 ZINC001218680631 780181769 /nfs/dbraw/zinc/18/17/69/780181769.db2.gz DOCSPRKKQIGFLU-ZETCQYMHSA-N 0 3 266.305 -1.455 20 0 CAADHN CCN=c1ncc(N)cn1C(=O)[C@@H]1CNCCN1 ZINC001218739274 780182941 /nfs/dbraw/zinc/18/29/41/780182941.db2.gz ANAXRQYQNJFHJM-VIFPVBQESA-N 0 3 250.306 -1.413 20 0 CAADHN NS(=O)(=O)c1cncc(NC(=O)[C@@H]2CNCCN2)c1 ZINC001218750158 780182983 /nfs/dbraw/zinc/18/29/83/780182983.db2.gz CJMOMBBFJOOHHF-VIFPVBQESA-N 0 3 285.329 -1.771 20 0 CAADHN CC(=O)c1nn(C)cc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218709163 780182995 /nfs/dbraw/zinc/18/29/95/780182995.db2.gz XXMZJVSIXWPXJA-JTQLQIEISA-N 0 3 293.327 -1.108 20 0 CAADHN NC(=O)c1cnoc1[N-]C(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001218702760 780183174 /nfs/dbraw/zinc/18/31/74/780183174.db2.gz WDJNUHLRYXPLED-KSBSHMNSSA-N 0 3 265.273 -1.337 20 0 CAADHN NC(=O)c1cnoc1[N-]C(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001218702759 780183281 /nfs/dbraw/zinc/18/32/81/780183281.db2.gz WDJNUHLRYXPLED-KGFZYKRKSA-N 0 3 265.273 -1.337 20 0 CAADHN Cc1cnn(CCO)c1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218753904 780183995 /nfs/dbraw/zinc/18/39/95/780183995.db2.gz LAVFMLYHXUUMAD-SNVBAGLBSA-N 0 3 295.343 -1.547 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cccc(N)c1 ZINC001218825921 780184071 /nfs/dbraw/zinc/18/40/71/780184071.db2.gz SVRLQFQYWHUBNS-XVKPBYJWSA-N 0 3 293.327 -1.085 20 0 CAADHN O=C(Nc1c[nH]ccc1=O)[C@@H]1COC2(CNC2)CN1 ZINC001218796140 780184110 /nfs/dbraw/zinc/18/41/10/780184110.db2.gz SJQNYEFSGUFLMJ-VIFPVBQESA-N 0 3 264.285 -1.356 20 0 CAADHN O=C(Nc1ncccc1CCO)[C@H]1COC2(CNC2)CN1 ZINC001218792675 780184575 /nfs/dbraw/zinc/18/45/75/780184575.db2.gz NLHAKXZBTWNRQY-LLVKDONJSA-N 0 3 292.339 -1.115 20 0 CAADHN O=C(Nc1c[nH]ccc1=O)[C@H]1COC2(CNC2)CN1 ZINC001218796139 780184769 /nfs/dbraw/zinc/18/47/69/780184769.db2.gz SJQNYEFSGUFLMJ-SECBINFHSA-N 0 3 264.285 -1.356 20 0 CAADHN CCc1c(NC(=O)[C@@H]2CNCCN2)c(C(N)=O)nn1C ZINC001218788571 780184863 /nfs/dbraw/zinc/18/48/63/780184863.db2.gz QEMPLYNQEFXUFZ-ZETCQYMHSA-N 0 3 280.332 -1.419 20 0 CAADHN O=C(Nc1cnn2c1OCCC2)[C@@H]1COC2(CNC2)CN1 ZINC001218794887 780184984 /nfs/dbraw/zinc/18/49/84/780184984.db2.gz VWHKNIJDXPHZLX-JTQLQIEISA-N 0 3 293.327 -1.066 20 0 CAADHN NC[C@H](N)C(=O)Nc1cc(N)ccc1OCCO ZINC001218919441 780185563 /nfs/dbraw/zinc/18/55/63/780185563.db2.gz PWRUUCXUHJCPRL-QMMMGPOBSA-N 0 3 254.290 -1.136 20 0 CAADHN NC[C@H](N)C(=O)Nc1cc(S(N)(=O)=O)ccc1N ZINC001218915153 780186357 /nfs/dbraw/zinc/18/63/57/780186357.db2.gz KAIZDCOEYCTMRI-ZETCQYMHSA-N 0 3 273.318 -1.859 20 0 CAADHN COCC(=O)N[C@@H]1CN(C[C@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219093389 780191282 /nfs/dbraw/zinc/19/12/82/780191282.db2.gz UPYFLFIDHXCSOW-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001219105060 780192718 /nfs/dbraw/zinc/19/27/18/780192718.db2.gz OTCKMTIQNKOJSR-MNOVXSKESA-N 0 3 255.318 -1.306 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001219112153 780193614 /nfs/dbraw/zinc/19/36/14/780193614.db2.gz VWEKGVYEZYFWLZ-UTUOFQBUSA-N 0 3 285.344 -1.680 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219111643 780194438 /nfs/dbraw/zinc/19/44/38/780194438.db2.gz DWJUDZPONAGEGT-NEPJUHHUSA-N 0 3 287.360 -1.290 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001219163094 780197394 /nfs/dbraw/zinc/19/73/94/780197394.db2.gz FOXCHYRAKVYSTN-AEJSXWLSSA-N 0 3 286.332 -2.148 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H](C)NC(C)=O)[C@@H](O)C1 ZINC001219151933 780197429 /nfs/dbraw/zinc/19/74/29/780197429.db2.gz UJSKIMZATGDVPW-JLLWLGSASA-N 0 3 287.360 -1.291 20 0 CAADHN CCOCCCN1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219163133 780197525 /nfs/dbraw/zinc/19/75/25/780197525.db2.gz HAKQIFIIHOHZJB-ZJUUUORDSA-N 0 3 288.348 -1.757 20 0 CAADHN C[C@@H](F)CCN1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168359 780197930 /nfs/dbraw/zinc/19/79/30/780197930.db2.gz AKYJXXZQKZUNIP-HLTSFMKQSA-N 0 3 276.312 -1.436 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219165311 780198237 /nfs/dbraw/zinc/19/82/37/780198237.db2.gz NYWQAKTUZABEAV-BDAKNGLRSA-N 0 3 274.321 -2.148 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001219223002 780201650 /nfs/dbraw/zinc/20/16/50/780201650.db2.gz AEHBKJVEWMXVPB-XQQFMLRXSA-N 0 3 299.371 -1.338 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219272207 780205457 /nfs/dbraw/zinc/20/54/57/780205457.db2.gz BCHUXNVSJQQTSD-ZJUUUORDSA-N 0 3 289.332 -1.460 20 0 CAADHN COC(=O)NCC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001219274934 780206146 /nfs/dbraw/zinc/20/61/46/780206146.db2.gz NYLZISJLWZCHAQ-BDAKNGLRSA-N 0 3 259.306 -1.088 20 0 CAADHN CC(C)OCCCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412859 780218578 /nfs/dbraw/zinc/21/85/78/780218578.db2.gz GKCPZUZAELPRMM-MNOVXSKESA-N 0 3 287.360 -1.162 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219413683 780219933 /nfs/dbraw/zinc/21/99/33/780219933.db2.gz ZSICEAQODXSMPM-ZJUUUORDSA-N 0 3 273.333 -1.550 20 0 CAADHN CC[C@@H](CN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)OC ZINC001219413189 780219951 /nfs/dbraw/zinc/21/99/51/780219951.db2.gz LTYUZORSRWYYJO-AEJSXWLSSA-N 0 3 273.333 -1.552 20 0 CAADHN CCO[C@H](CN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)C1CC1 ZINC001219412856 780219979 /nfs/dbraw/zinc/21/99/79/780219979.db2.gz GFOGNJHYAZWWLN-GRYCIOLGSA-N 0 3 299.371 -1.162 20 0 CAADHN CO[C@@H](CN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)C1CCC1 ZINC001219413153 780220416 /nfs/dbraw/zinc/22/04/16/780220416.db2.gz KLXWZRGJTXXXLX-WOPDTQHZSA-N 0 3 299.371 -1.162 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001219413472 780220444 /nfs/dbraw/zinc/22/04/44/780220444.db2.gz SELLLZOTNDDIKT-AXFHLTTASA-N 0 3 285.344 -1.408 20 0 CAADHN O=C(CCc1nnc[nH]1)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001219441251 780221121 /nfs/dbraw/zinc/22/11/21/780221121.db2.gz RRTGERTWSXGKGF-BDAKNGLRSA-N 0 3 269.305 -2.109 20 0 CAADHN O=C(CCc1nc[nH]n1)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001219441251 780221124 /nfs/dbraw/zinc/22/11/24/780221124.db2.gz RRTGERTWSXGKGF-BDAKNGLRSA-N 0 3 269.305 -2.109 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2CCNC(=O)C2)[C@@H](O)C1 ZINC001219451732 780222118 /nfs/dbraw/zinc/22/21/18/780222118.db2.gz MBBKHGRYTDUENW-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1CN(CCCOC)C[C@@H]1O ZINC001219495384 780222881 /nfs/dbraw/zinc/22/28/81/780222881.db2.gz DKNPBFAXQYRRJE-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001219510334 780224702 /nfs/dbraw/zinc/22/47/02/780224702.db2.gz KOELJALARUASDD-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@@H](CN1C[C@@H](NC(=O)CC(=O)NC)[C@@H](O)C1)OC ZINC001219510032 780224738 /nfs/dbraw/zinc/22/47/38/780224738.db2.gz GICRVUPCWYAMNY-AXFHLTTASA-N 0 3 287.360 -1.291 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CCCCOC)C[C@@H]1O ZINC001219505813 780224780 /nfs/dbraw/zinc/22/47/80/780224780.db2.gz NDZCBPURPAUYAR-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O ZINC001219509811 780225712 /nfs/dbraw/zinc/22/57/12/780225712.db2.gz FBWOXQUWOIFHGS-TUAOUCFPSA-N 0 3 299.371 -1.147 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@H](C)NC(N)=O)[C@@H](O)C1 ZINC001219521305 780227645 /nfs/dbraw/zinc/22/76/45/780227645.db2.gz DLPRPCRKLLYERK-YIZRAAEISA-N 0 3 258.322 -1.387 20 0 CAADHN CC(C)OCCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219557927 780228205 /nfs/dbraw/zinc/22/82/05/780228205.db2.gz FSCISXNPCGDGOM-SNVBAGLBSA-N 0 3 257.334 -1.142 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2COC(=O)N2)[C@@H](O)C1 ZINC001219546872 780228451 /nfs/dbraw/zinc/22/84/51/780228451.db2.gz KYNKAOSRRSALSF-BBBLOLIVSA-N 0 3 287.316 -1.707 20 0 CAADHN O=C(NCC(F)(F)F)[C@@H]1COC2(CNC2)CN1 ZINC001219553817 780228493 /nfs/dbraw/zinc/22/84/93/780228493.db2.gz NAYVTZZGFAFRKO-LURJTMIESA-N 0 3 253.224 -1.005 20 0 CAADHN CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NC[C@@H](O)CO ZINC001219865585 780271229 /nfs/dbraw/zinc/27/12/29/780271229.db2.gz RIOFVUPKYJLULA-RKDXNWHRSA-N 0 3 276.333 -1.095 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H](CO)[C@@H](C)O ZINC001219558333 780230776 /nfs/dbraw/zinc/23/07/76/780230776.db2.gz NQJRKLGKXMEWMZ-SJQPAMGKSA-N 0 3 275.349 -1.666 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)[C@@H](N)C1CCC(O)CC1 ZINC001219558365 780230853 /nfs/dbraw/zinc/23/08/53/780230853.db2.gz OMMPVFPJTKXUMK-UWJQSHOHSA-N 0 3 260.334 -1.277 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219558146 780231029 /nfs/dbraw/zinc/23/10/29/780231029.db2.gz KWSPEKJCOVWGJB-HLTSFMKQSA-N 0 3 259.306 -2.825 20 0 CAADHN O=C(NCCN1CCCCC1=O)[C@H]1COC2(CNC2)CN1 ZINC001219568074 780231871 /nfs/dbraw/zinc/23/18/71/780231871.db2.gz YGTXVUYGPOHRRN-LLVKDONJSA-N 0 3 296.371 -1.555 20 0 CAADHN Cn1ccnc1CNC(=O)[C@H](N)CCCNC(N)=O ZINC001219563740 780232588 /nfs/dbraw/zinc/23/25/88/780232588.db2.gz KJMQSZWSIGQPKC-MRVPVSSYSA-N 0 3 268.321 -1.188 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219572936 780233547 /nfs/dbraw/zinc/23/35/47/780233547.db2.gz CHDOOVWKYHJGES-NSHDSACASA-N 0 3 295.343 -1.355 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219572936 780233552 /nfs/dbraw/zinc/23/35/52/780233552.db2.gz CHDOOVWKYHJGES-NSHDSACASA-N 0 3 295.343 -1.355 20 0 CAADHN O=C(NCc1c[nH]cn1)[C@@H]1COC2(CNC2)CN1 ZINC001219606694 780236590 /nfs/dbraw/zinc/23/65/90/780236590.db2.gz QQJGXYODGDJRPS-VIFPVBQESA-N 0 3 251.290 -1.644 20 0 CAADHN O=C(NC[C@H](O)c1ccco1)[C@H]1COC2(CNC2)CN1 ZINC001219604340 780236809 /nfs/dbraw/zinc/23/68/09/780236809.db2.gz NAIFHYHUAPMELA-ZJUUUORDSA-N 0 3 281.312 -1.240 20 0 CAADHN O=C(NC[C@@H](O)c1ccco1)[C@H]1COC2(CNC2)CN1 ZINC001219604336 780236847 /nfs/dbraw/zinc/23/68/47/780236847.db2.gz NAIFHYHUAPMELA-NXEZZACHSA-N 0 3 281.312 -1.240 20 0 CAADHN O=C(NC[C@H](O)c1ccco1)[C@@H]1COC2(CNC2)CN1 ZINC001219604338 780237045 /nfs/dbraw/zinc/23/70/45/780237045.db2.gz NAIFHYHUAPMELA-UWVGGRQHSA-N 0 3 281.312 -1.240 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCc1cnc[nH]1 ZINC001219606969 780237205 /nfs/dbraw/zinc/23/72/05/780237205.db2.gz XWXJMMBGEOWPFB-XPUUQOCRSA-N 0 3 255.278 -2.150 20 0 CAADHN Cc1nocc1CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001219608082 780237767 /nfs/dbraw/zinc/23/77/67/780237767.db2.gz ODCPARZKYQDSOC-RCOVLWMOSA-N 0 3 297.315 -1.693 20 0 CAADHN CS(=O)(=O)CCNC(=O)[C@H](N)Cc1cnc[nH]1 ZINC001219608329 780237911 /nfs/dbraw/zinc/23/79/11/780237911.db2.gz VKKRHEYUIBTOJY-MRVPVSSYSA-N 0 3 260.319 -1.560 20 0 CAADHN CCCN1C[C@@H](NC(=O)CCS(=O)(=O)NC)[C@@H](O)C1 ZINC001219616519 780239350 /nfs/dbraw/zinc/23/93/50/780239350.db2.gz ADPDZFHYWHTDHP-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN COC(=O)[C@@H](N)CCC(=O)NC[C@]1(O)CCNC[C@@H]1F ZINC001219617888 780240308 /nfs/dbraw/zinc/24/03/08/780240308.db2.gz PMXGNTLIPGYCDZ-HOTUBEGUSA-N 0 3 291.323 -1.554 20 0 CAADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@@H]1CSCN1 ZINC001219617687 780240455 /nfs/dbraw/zinc/24/04/55/780240455.db2.gz OKHBMRVUIWSXNG-OYNCUSHFSA-N 0 3 263.338 -1.172 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001219616808 780240594 /nfs/dbraw/zinc/24/05/94/780240594.db2.gz FWIGZZTZPFIYLU-ZJUUUORDSA-N 0 3 293.389 -1.505 20 0 CAADHN O=C(CN1CC[C@H](O)C1)NC[C@]1(O)CCNC[C@@H]1F ZINC001219622514 780241078 /nfs/dbraw/zinc/24/10/78/780241078.db2.gz WLQDMQIFNUYUJJ-JBLDHEPKSA-N 0 3 275.324 -1.768 20 0 CAADHN C[C@@]1(C(=O)NC[C@]2(O)CCNC[C@@H]2F)COCCN1 ZINC001219619884 780242163 /nfs/dbraw/zinc/24/21/63/780242163.db2.gz RDHGWSBKQMBBQS-ZMLRMANQSA-N 0 3 275.324 -1.456 20 0 CAADHN O=C(NCCN1CCCCO1)[C@@H]1COC2(CNC2)CN1 ZINC001219632353 780243056 /nfs/dbraw/zinc/24/30/56/780243056.db2.gz LDZKYPQXNQEAQF-NSHDSACASA-N 0 3 284.360 -1.540 20 0 CAADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)c1cnn2c1CNCC2 ZINC001219627725 780243273 /nfs/dbraw/zinc/24/32/73/780243273.db2.gz DHFKAHBJBDROHQ-WCQYABFASA-N 0 3 297.334 -1.221 20 0 CAADHN COCCCN1C[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001219637425 780243621 /nfs/dbraw/zinc/24/36/21/780243621.db2.gz DGUJXVIWNZKJRR-ZJUUUORDSA-N 0 3 284.320 -2.129 20 0 CAADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)c1cc2n(n1)CCNC2 ZINC001219627862 780243783 /nfs/dbraw/zinc/24/37/83/780243783.db2.gz KQBQXSCCHBAJHQ-WCQYABFASA-N 0 3 297.334 -1.221 20 0 CAADHN Cn1cnc(CCNC(=O)[C@H]2COC3(CNC3)CN2)c1 ZINC001219632516 780243797 /nfs/dbraw/zinc/24/37/97/780243797.db2.gz ODQJOCPJHDQHOT-LLVKDONJSA-N 0 3 279.344 -1.591 20 0 CAADHN C[C@H]1OCC[C@H]1CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219634038 780244392 /nfs/dbraw/zinc/24/43/92/780244392.db2.gz JXTNSMZYADPERU-OUAUKWLOSA-N 0 3 269.345 -1.142 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219669378 780244760 /nfs/dbraw/zinc/24/47/60/780244760.db2.gz WEXAUGBTTRSDLY-IONNQARKSA-N 0 3 272.330 -1.417 20 0 CAADHN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1COC2(CNC2)CN1 ZINC001219671155 780244833 /nfs/dbraw/zinc/24/48/33/780244833.db2.gz ADXHQFQLXRPWIZ-BDAKNGLRSA-N 0 3 289.357 -2.380 20 0 CAADHN O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1COC2(CNC2)CN1 ZINC001219671158 780245253 /nfs/dbraw/zinc/24/52/53/780245253.db2.gz ADXHQFQLXRPWIZ-RKDXNWHRSA-N 0 3 289.357 -2.380 20 0 CAADHN O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1COC2(CNC2)CN1 ZINC001219671156 780245740 /nfs/dbraw/zinc/24/57/40/780245740.db2.gz ADXHQFQLXRPWIZ-DTWKUNHWSA-N 0 3 289.357 -2.380 20 0 CAADHN C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001219642261 780245934 /nfs/dbraw/zinc/24/59/34/780245934.db2.gz QUGMVCKYCRMGDQ-HLTSFMKQSA-N 0 3 267.337 -1.569 20 0 CAADHN C[C@H]1C[NH2+]C[C@H](CNC(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001219642261 780245942 /nfs/dbraw/zinc/24/59/42/780245942.db2.gz QUGMVCKYCRMGDQ-HLTSFMKQSA-N 0 3 267.337 -1.569 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC(C)(C)C1CC1 ZINC001219674638 780246622 /nfs/dbraw/zinc/24/66/22/780246622.db2.gz YJWXFNMEFILJCP-CBAPKCEASA-N 0 3 284.360 -1.001 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001219675111 780247395 /nfs/dbraw/zinc/24/73/95/780247395.db2.gz MZZOLANUTBTYDN-AXFHLTTASA-N 0 3 287.360 -1.293 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219675127 780247685 /nfs/dbraw/zinc/24/76/85/780247685.db2.gz NPBKQNYPKSEUIT-MXWKQRLJSA-N 0 3 287.360 -1.291 20 0 CAADHN CN(C(=O)CCNC(=O)[C@H]1COC2(CNC2)CN1)C1CC1 ZINC001219692991 780248011 /nfs/dbraw/zinc/24/80/11/780248011.db2.gz LKJVPLCHUBLRQN-LLVKDONJSA-N 0 3 296.371 -1.556 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001219683707 780248862 /nfs/dbraw/zinc/24/88/62/780248862.db2.gz BIXIREHTQCRVJI-JLLWLGSASA-N 0 3 299.371 -1.291 20 0 CAADHN CN1CCO[C@@H](CNC(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001219694026 780248989 /nfs/dbraw/zinc/24/89/89/780248989.db2.gz DGQXLTQWLHHHGJ-QWRGUYRKSA-N 0 3 267.333 -1.274 20 0 CAADHN CCOC(=O)CCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219690828 780249019 /nfs/dbraw/zinc/24/90/19/780249019.db2.gz CNAKPCJLUAMJDZ-VIFPVBQESA-N 0 3 271.317 -1.614 20 0 CAADHN CC(C)(CNC(=O)[C@H](N)CCCNC(N)=O)C(N)=O ZINC001220033163 780295403 /nfs/dbraw/zinc/29/54/03/780295403.db2.gz JFCLYLCSRYXTQZ-SSDOTTSWSA-N 0 3 273.337 -1.610 20 0 CAADHN CS(=O)(=O)c1ccc(CNC(=O)[C@@H](N)CN)nc1 ZINC001219716485 780251646 /nfs/dbraw/zinc/25/16/46/780251646.db2.gz POZSPNCNTMIPIV-VIFPVBQESA-N 0 3 272.330 -1.613 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219704918 780251686 /nfs/dbraw/zinc/25/16/86/780251686.db2.gz PIGKDVRHOIGNTF-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001219724708 780253200 /nfs/dbraw/zinc/25/32/00/780253200.db2.gz YCDAKDCKCAUOFH-TUAOUCFPSA-N 0 3 291.367 -1.180 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)[C@@H](O)C1 ZINC001219733559 780253516 /nfs/dbraw/zinc/25/35/16/780253516.db2.gz UDHGRYNWARUVPP-UTUOFQBUSA-N 0 3 299.371 -1.338 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001219740747 780255187 /nfs/dbraw/zinc/25/51/87/780255187.db2.gz IKEWOPSDCQSMQP-NEPJUHHUSA-N 0 3 299.371 -1.338 20 0 CAADHN Nc1nc(=O)c(F)cn1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219741353 780255874 /nfs/dbraw/zinc/25/58/74/780255874.db2.gz HUDDCCVJACAZSB-ZETCQYMHSA-N 0 3 283.263 -1.822 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736927 780255989 /nfs/dbraw/zinc/25/59/89/780255989.db2.gz LCMVLPZMZNLTKE-SFYZADRCSA-N 0 3 281.320 -2.436 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219736927 780255993 /nfs/dbraw/zinc/25/59/93/780255993.db2.gz LCMVLPZMZNLTKE-SFYZADRCSA-N 0 3 281.320 -2.436 20 0 CAADHN CC(=O)OC[C@H](N)C(=O)NCc1nnc2n1CCCNC2 ZINC001219749213 780256691 /nfs/dbraw/zinc/25/66/91/780256691.db2.gz KEIQAQFKTWQHHX-VIFPVBQESA-N 0 3 296.331 -1.722 20 0 CAADHN CCCN1C[C@@H](NC(=O)CCNC(=O)COC)[C@@H](O)C1 ZINC001219744312 780256741 /nfs/dbraw/zinc/25/67/41/780256741.db2.gz ASFBJXVWWKIFTR-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN Nc1nc(=O)c(F)cn1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001219741352 780257195 /nfs/dbraw/zinc/25/71/95/780257195.db2.gz HUDDCCVJACAZSB-SSDOTTSWSA-N 0 3 283.263 -1.822 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(C(C)C)C[C@@H]1O ZINC001219751793 780257488 /nfs/dbraw/zinc/25/74/88/780257488.db2.gz DSVTXEGCUBKRBE-BDAKNGLRSA-N 0 3 258.322 -1.515 20 0 CAADHN CCCN1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219754043 780258404 /nfs/dbraw/zinc/25/84/04/780258404.db2.gz OTJWKSNQDWPOOF-BDAKNGLRSA-N 0 3 258.322 -1.513 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001219753706 780259859 /nfs/dbraw/zinc/25/98/59/780259859.db2.gz HCIJTVYYAUEFOT-ZJUUUORDSA-N 0 3 270.333 -1.513 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799688 780260803 /nfs/dbraw/zinc/26/08/03/780260803.db2.gz AUBRGRGPEPOYPN-IUCAKERBSA-N 0 3 295.347 -2.046 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799688 780260805 /nfs/dbraw/zinc/26/08/05/780260805.db2.gz AUBRGRGPEPOYPN-IUCAKERBSA-N 0 3 295.347 -2.046 20 0 CAADHN CNC(=O)CN1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001219800073 780261253 /nfs/dbraw/zinc/26/12/53/780261253.db2.gz FOPNEWSEIZLNGU-MNOVXSKESA-N 0 3 298.387 -1.622 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799687 780261736 /nfs/dbraw/zinc/26/17/36/780261736.db2.gz AUBRGRGPEPOYPN-BDAKNGLRSA-N 0 3 295.347 -2.046 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799687 780261738 /nfs/dbraw/zinc/26/17/38/780261738.db2.gz AUBRGRGPEPOYPN-BDAKNGLRSA-N 0 3 295.347 -2.046 20 0 CAADHN CN(C)[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)C1CC1 ZINC001219804039 780262405 /nfs/dbraw/zinc/26/24/05/780262405.db2.gz LHARUGNFUDWBGA-SCVCMEIPSA-N 0 3 284.360 -2.027 20 0 CAADHN CNC(=O)CN1C[C@@H](NC(=O)[C@H](C2CC2)N(C)C)[C@@H](O)C1 ZINC001219804231 780262563 /nfs/dbraw/zinc/26/25/63/780262563.db2.gz QFUSJANVJAKSRS-MDZLAQPJSA-N 0 3 298.387 -1.766 20 0 CAADHN CNC(=O)CN1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001219811886 780262862 /nfs/dbraw/zinc/26/28/62/780262862.db2.gz ATDVCWZOUSZZBF-NEPJUHHUSA-N 0 3 298.387 -1.622 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813470 780262883 /nfs/dbraw/zinc/26/28/83/780262883.db2.gz VIWLATJBTBCUGU-LAEOZQHASA-N 0 3 281.320 -2.578 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001219813470 780262890 /nfs/dbraw/zinc/26/28/90/780262890.db2.gz VIWLATJBTBCUGU-LAEOZQHASA-N 0 3 281.320 -2.578 20 0 CAADHN CC(=O)OC[C@H](N)C(=O)NCc1noc2c1CNCC2 ZINC001219809467 780262943 /nfs/dbraw/zinc/26/29/43/780262943.db2.gz LFFZSJACQDHSJH-VIFPVBQESA-N 0 3 282.300 -1.173 20 0 CAADHN CN(C)[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)C1CC1 ZINC001219804038 780263203 /nfs/dbraw/zinc/26/32/03/780263203.db2.gz LHARUGNFUDWBGA-JFGNBEQYSA-N 0 3 284.360 -2.027 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001219814006 780264327 /nfs/dbraw/zinc/26/43/27/780264327.db2.gz OBYLIJAMGCCVOI-WCQGTBRESA-N 0 3 298.387 -1.494 20 0 CAADHN CN(CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)C1CCC1 ZINC001219813910 780265091 /nfs/dbraw/zinc/26/50/91/780265091.db2.gz KLMAUOWMIHFTRG-MNOVXSKESA-N 0 3 284.360 -1.883 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](NC(=O)CN(C)C2CCC2)[C@@H](O)C1 ZINC001219814005 780265215 /nfs/dbraw/zinc/26/52/15/780265215.db2.gz OBYLIJAMGCCVOI-JLLWLGSASA-N 0 3 298.387 -1.494 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001219846738 780267472 /nfs/dbraw/zinc/26/74/72/780267472.db2.gz APKWEZMTRIFZJE-MXWKQRLJSA-N 0 3 299.371 -1.304 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001219846737 780268004 /nfs/dbraw/zinc/26/80/04/780268004.db2.gz APKWEZMTRIFZJE-AXFHLTTASA-N 0 3 299.371 -1.304 20 0 CAADHN O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CNC(=O)N1 ZINC001219847630 780268547 /nfs/dbraw/zinc/26/85/47/780268547.db2.gz NAVQNAQTYFYYAA-XSPKLOCKSA-N 0 3 254.290 -1.697 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854875 780270281 /nfs/dbraw/zinc/27/02/81/780270281.db2.gz ZIYDFZRAUASYJO-VGRMVHKJSA-N 0 3 267.293 -2.828 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854875 780270287 /nfs/dbraw/zinc/27/02/87/780270287.db2.gz ZIYDFZRAUASYJO-VGRMVHKJSA-N 0 3 267.293 -2.828 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@H]1COC2(CNC2)CN1)[C@@H](C)O ZINC001219879890 780270573 /nfs/dbraw/zinc/27/05/73/780270573.db2.gz OTGIDHPCKSZFLV-HLTSFMKQSA-N 0 3 287.316 -2.645 20 0 CAADHN CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CO ZINC001219865479 780270973 /nfs/dbraw/zinc/27/09/73/780270973.db2.gz PMJSUODXGOBWFQ-BDAKNGLRSA-N 0 3 276.333 -1.224 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@H](N)Cc1c[nH]cn1)[C@@H](C)O ZINC001219879714 780271337 /nfs/dbraw/zinc/27/13/37/780271337.db2.gz LOZKAGPAJDMURO-VDAHYXPESA-N 0 3 270.289 -1.682 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@H](N)Cc1cnc[nH]1)[C@@H](C)O ZINC001219879714 780271347 /nfs/dbraw/zinc/27/13/47/780271347.db2.gz LOZKAGPAJDMURO-VDAHYXPESA-N 0 3 270.289 -1.682 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)N(C)C ZINC001219874701 780271975 /nfs/dbraw/zinc/27/19/75/780271975.db2.gz DBAVQMAOXRRJRJ-BBBLOLIVSA-N 0 3 272.349 -2.027 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H](O)CO ZINC001219865257 780271983 /nfs/dbraw/zinc/27/19/83/780271983.db2.gz IMGKBFPBMNTZJA-XKSSXDPKSA-N 0 3 261.322 -2.055 20 0 CAADHN Cn1cc2c(n1)[C@H](CNC(=O)[C@@H](N)CN)OCC2 ZINC001219884940 780272510 /nfs/dbraw/zinc/27/25/10/780272510.db2.gz DUKVUBLLAKDPNS-IUCAKERBSA-N 0 3 253.306 -1.564 20 0 CAADHN CCOC(=O)CC(=N)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219883505 780272844 /nfs/dbraw/zinc/27/28/44/780272844.db2.gz URYZTKWWOAFUFD-MRVPVSSYSA-N 0 3 284.316 -1.637 20 0 CAADHN CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219882510 780273548 /nfs/dbraw/zinc/27/35/48/780273548.db2.gz JGMCGJRFTRQPRT-HBNTYKKESA-N 0 3 271.361 -1.160 20 0 CAADHN CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H](N)CC[S@](C)=O)C1 ZINC001219889994 780274307 /nfs/dbraw/zinc/27/43/07/780274307.db2.gz DHZSFHDWCSEVOV-QNFOMXJPSA-N 0 3 287.385 -1.181 20 0 CAADHN O=C(N[C@H]1SC(=O)[N-]C1=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219904127 780275003 /nfs/dbraw/zinc/27/50/03/780275003.db2.gz RAEJQIYVSUDILZ-CDOJRTKCSA-N 0 3 284.341 -1.389 20 0 CAADHN N[C@@H](CCCC[NH3+])C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001219904647 780276635 /nfs/dbraw/zinc/27/66/35/780276635.db2.gz YTGLZVJYXOXQTM-XNCJUZBTSA-N 0 3 260.319 -1.132 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2CCC(=O)NC2)[C@@H](O)C1 ZINC001219923820 780277166 /nfs/dbraw/zinc/27/71/66/780277166.db2.gz CUEXOBCSHFVDGX-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN C[NH+](C)CCCCCNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001219918233 780277250 /nfs/dbraw/zinc/27/72/50/780277250.db2.gz IIMAMKMZGHKAAZ-VIFPVBQESA-N 0 3 269.353 -1.082 20 0 CAADHN C[NH+](C)CCCCCNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001219918233 780277255 /nfs/dbraw/zinc/27/72/55/780277255.db2.gz IIMAMKMZGHKAAZ-VIFPVBQESA-N 0 3 269.353 -1.082 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)[C@@H](O)C1 ZINC001219923821 780277586 /nfs/dbraw/zinc/27/75/86/780277586.db2.gz CUEXOBCSHFVDGX-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945628 780278388 /nfs/dbraw/zinc/27/83/88/780278388.db2.gz ONGMRHBUUBOHKF-VXNVDRBHSA-N 0 3 270.314 -1.294 20 0 CAADHN Cc1nonc1CNC(=O)[C@H](N)CCCNC(N)=O ZINC001219948616 780280146 /nfs/dbraw/zinc/28/01/46/780280146.db2.gz ZTMNOZUHUFYKGD-SSDOTTSWSA-N 0 3 270.293 -1.230 20 0 CAADHN O=C(NC[C@H]1CCC(=O)N1)[C@H]1COC2(CNC2)CN1 ZINC001219959051 780280504 /nfs/dbraw/zinc/28/05/04/780280504.db2.gz GMWARTZGFUWMFI-RKDXNWHRSA-N 0 3 268.317 -2.288 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959363 780280768 /nfs/dbraw/zinc/28/07/68/780280768.db2.gz RSCJHXDSCQGWDC-CBAPKCEASA-N 0 3 251.290 -1.326 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959363 780280779 /nfs/dbraw/zinc/28/07/79/780280779.db2.gz RSCJHXDSCQGWDC-CBAPKCEASA-N 0 3 251.290 -1.326 20 0 CAADHN O=C(NC[C@@H]1CCC(=O)N1)[C@@H]1COC2(CNC2)CN1 ZINC001219959050 780281033 /nfs/dbraw/zinc/28/10/33/780281033.db2.gz GMWARTZGFUWMFI-IUCAKERBSA-N 0 3 268.317 -2.288 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959365 780281153 /nfs/dbraw/zinc/28/11/53/780281153.db2.gz RSCJHXDSCQGWDC-VXNVDRBHSA-N 0 3 251.290 -1.326 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959365 780281158 /nfs/dbraw/zinc/28/11/58/780281158.db2.gz RSCJHXDSCQGWDC-VXNVDRBHSA-N 0 3 251.290 -1.326 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959407 780281636 /nfs/dbraw/zinc/28/16/36/780281636.db2.gz UCPKVSDYXUWKTC-SCZZXKLOSA-N 0 3 265.317 -1.315 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959217 780281735 /nfs/dbraw/zinc/28/17/35/780281735.db2.gz MYPXVODMYNJFEW-GBHNPRDJSA-N 0 3 261.347 -1.523 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@H](N)CCCNC(N)=O ZINC001219961561 780282582 /nfs/dbraw/zinc/28/25/82/780282582.db2.gz OKYODNXIXQUVAJ-SSDOTTSWSA-N 0 3 295.365 -2.572 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001219961767 780282667 /nfs/dbraw/zinc/28/26/67/780282667.db2.gz VWUUMMVQWFYPMD-GYKQLYQFSA-N 0 3 285.391 -2.252 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@@H](N)C1CCC(O)CC1 ZINC001219961183 780283253 /nfs/dbraw/zinc/28/32/53/780283253.db2.gz IQFIOTAGOZMGGF-RTBKNWGFSA-N 0 3 293.389 -1.470 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001219968321 780283812 /nfs/dbraw/zinc/28/38/12/780283812.db2.gz ZSLLEXDZVYQHRP-OPQQBVKSSA-N 0 3 279.344 -1.434 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001219968322 780284757 /nfs/dbraw/zinc/28/47/57/780284757.db2.gz ZSLLEXDZVYQHRP-OUJBWJOFSA-N 0 3 279.344 -1.434 20 0 CAADHN O=C(NCCn1cccc1)[C@H]1COC2(CNC2)CN1 ZINC001219969464 780284800 /nfs/dbraw/zinc/28/48/00/780284800.db2.gz ATKZCBKDKGQWCS-LLVKDONJSA-N 0 3 264.329 -1.065 20 0 CAADHN NC1(C(=O)NCCCc2c[n-][nH]c2=O)CC[NH2+]CC1 ZINC001219969645 780284878 /nfs/dbraw/zinc/28/48/78/780284878.db2.gz IBRPQILGXMNBSY-SECBINFHSA-N 0 3 267.333 -1.305 20 0 CAADHN N[C@H]1C[NH2+]C[C@@H]1C(=O)NCCCc1c[n-][nH]c1=O ZINC001219969435 780284934 /nfs/dbraw/zinc/28/49/34/780284934.db2.gz ACVZHJWKZFIVPA-CIUDSAMLSA-N 0 3 253.306 -1.839 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001219967731 780285221 /nfs/dbraw/zinc/28/52/21/780285221.db2.gz HRIGJSJHXVBMPU-XWLWVQCSSA-N 0 3 279.344 -1.436 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CC(F)F)CN1 ZINC001219968085 780285316 /nfs/dbraw/zinc/28/53/16/780285316.db2.gz VITBOBWCYGGTCV-VQVTYTSYSA-N 0 3 265.260 -1.011 20 0 CAADHN N[C@]1(C(=O)NCCCc2c[n-][nH]c2=O)CCC[NH2+]C1 ZINC001219970009 780285725 /nfs/dbraw/zinc/28/57/25/780285725.db2.gz RSAZOCWJWKLQNR-BXKDBHETSA-N 0 3 267.333 -1.305 20 0 CAADHN CCn1c(N)c(NC(=O)[C@@H](C)N)c(=O)n(CC)c1=O ZINC001219971951 780285922 /nfs/dbraw/zinc/28/59/22/780285922.db2.gz GKMLXBPFTNTCIM-ZCFIWIBFSA-N 0 3 269.305 -1.082 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@H]1[NH2+]CC[C@H]1O ZINC001219970208 780286217 /nfs/dbraw/zinc/28/62/17/780286217.db2.gz XNEIMYNONGVAHU-HLTSFMKQSA-N 0 3 254.290 -1.663 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001219970205 780286627 /nfs/dbraw/zinc/28/66/27/780286627.db2.gz XNEIMYNONGVAHU-CIUDSAMLSA-N 0 3 254.290 -1.663 20 0 CAADHN COC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001219974849 780286754 /nfs/dbraw/zinc/28/67/54/780286754.db2.gz HIGFJXKOJNJRBL-WDSKDSINSA-N 0 3 274.277 -3.017 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCc1ccncn1 ZINC001220004756 780287268 /nfs/dbraw/zinc/28/72/68/780287268.db2.gz BSRLVGGPGPCMMN-SECBINFHSA-N 0 3 266.305 -1.131 20 0 CAADHN CN1C[C@@H](NC(=O)[C@H](N)CCCNC(N)=O)CCC1=O ZINC001220006789 780289333 /nfs/dbraw/zinc/28/93/33/780289333.db2.gz CLDRCDNRULFOGB-DTWKUNHWSA-N 0 3 285.348 -1.501 20 0 CAADHN CN1C[C@H](NC(=O)[C@@H]2COC3(CNC3)CN2)CCC1=O ZINC001220006729 780289453 /nfs/dbraw/zinc/28/94/53/780289453.db2.gz BEKXEUSCGMBJFN-ZJUUUORDSA-N 0 3 282.344 -1.946 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC1CN(C)C1 ZINC001220013502 780290407 /nfs/dbraw/zinc/29/04/07/780290407.db2.gz YKTGXHYKTJEMQI-KWQFWETISA-N 0 3 256.350 -1.094 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCOC1 ZINC001220020270 780291707 /nfs/dbraw/zinc/29/17/07/780291707.db2.gz COBBJITXMYMHDP-CIUDSAMLSA-N 0 3 286.332 -2.154 20 0 CAADHN CN1CC(NC(=O)CN2CCCC[C@H](N)C2=O)C1 ZINC001220013191 780291856 /nfs/dbraw/zinc/29/18/56/780291856.db2.gz KRHJRBSAENKJRS-JTQLQIEISA-N 0 3 254.334 -1.244 20 0 CAADHN CC(C)[C@@](C)(NC(=O)[C@H]1COC2(CNC2)CN1)C(N)=O ZINC001220022317 780292652 /nfs/dbraw/zinc/29/26/52/780292652.db2.gz FOOHXXKRQCXCMW-BXKDBHETSA-N 0 3 284.360 -1.667 20 0 CAADHN CC(C)[C@@](C)(NC(=O)[C@@H]1COC2(CNC2)CN1)C(N)=O ZINC001220022321 780293318 /nfs/dbraw/zinc/29/33/18/780293318.db2.gz FOOHXXKRQCXCMW-JOYOIKCWSA-N 0 3 284.360 -1.667 20 0 CAADHN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1COC2(CNC2)CN1 ZINC001220028321 780294752 /nfs/dbraw/zinc/29/47/52/780294752.db2.gz OLCWMYYHXLSGBK-JGVFFNPUSA-N 0 3 282.300 -2.762 20 0 CAADHN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1C[C@@H](F)CCN1 ZINC001220028300 780294773 /nfs/dbraw/zinc/29/47/73/780294773.db2.gz NGBPZLOKXCKRLY-FXQIFTODSA-N 0 3 257.265 -1.002 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220028492 780294975 /nfs/dbraw/zinc/29/49/75/780294975.db2.gz UTXHDGXMDGFCJO-HTQZYQBOSA-N 0 3 265.273 -1.799 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N[C@H]2CCC(=O)NC2=O)C1=O ZINC001220028489 780295100 /nfs/dbraw/zinc/29/51/00/780295100.db2.gz URKADVOKPMWINW-IUCAKERBSA-N 0 3 296.327 -1.752 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1CCC(=O)NC1=O ZINC001220030601 780296560 /nfs/dbraw/zinc/29/65/60/780296560.db2.gz LFWOQYZWTZSPRL-LAEOZQHASA-N 0 3 298.343 -1.603 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCc1cc[nH]n1 ZINC001220061831 780298821 /nfs/dbraw/zinc/29/88/21/780298821.db2.gz DLFKEPSWODNSKD-CBAPKCEASA-N 0 3 296.331 -2.224 20 0 CAADHN N[C@@H](CC(F)F)C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001220117998 780306328 /nfs/dbraw/zinc/30/63/28/780306328.db2.gz QTWNGMVYDHJWPJ-PLLHAEOSSA-N 0 3 268.260 -1.812 20 0 CAADHN O=C(NCCc1cc[nH]n1)[C@H]1COC2(CNC2)CN1 ZINC001220062348 780299012 /nfs/dbraw/zinc/29/90/12/780299012.db2.gz VRKYATFTLDFDPY-SNVBAGLBSA-N 0 3 265.317 -1.601 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCC[C@@H]1O ZINC001220099224 780302467 /nfs/dbraw/zinc/30/24/67/780302467.db2.gz HDDDSQSWKODLAQ-KZVJFYERSA-N 0 3 286.332 -2.277 20 0 CAADHN COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220104545 780303444 /nfs/dbraw/zinc/30/34/44/780303444.db2.gz HZHRRGMUORUAKB-IUCAKERBSA-N 0 3 299.327 -1.682 20 0 CAADHN N[C@H](C(=O)NC(CO)(CO)CO)C1CCCCC1 ZINC001220106729 780303709 /nfs/dbraw/zinc/30/37/09/780303709.db2.gz ZPLHSAJPEAXDDE-JTQLQIEISA-N 0 3 260.334 -1.274 20 0 CAADHN N=C(NC(=O)[C@@H](N)Cc1nnn[n-]1)SCC[NH3+] ZINC001220106567 780304296 /nfs/dbraw/zinc/30/42/96/780304296.db2.gz SKBFULCEIYNRIX-BYPYZUCNSA-N 0 3 258.311 -2.188 20 0 CAADHN N=C(NC(=O)[C@@H](N)Cc1nn[n-]n1)SCC[NH3+] ZINC001220106567 780304299 /nfs/dbraw/zinc/30/42/99/780304299.db2.gz SKBFULCEIYNRIX-BYPYZUCNSA-N 0 3 258.311 -2.188 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC(CO)(CO)CO ZINC001220106127 780304118 /nfs/dbraw/zinc/30/41/18/780304118.db2.gz BKWWNRWAICEJAV-VIFPVBQESA-N 0 3 272.305 -2.878 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001220118247 780305386 /nfs/dbraw/zinc/30/53/86/780305386.db2.gz TWWQPSQOXZCBFG-VIACJQTLSA-N 0 3 294.373 -2.699 20 0 CAADHN CC[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220113600 780305538 /nfs/dbraw/zinc/30/55/38/780305538.db2.gz YWYGJIFRIKDGPM-FXQIFTODSA-N 0 3 258.322 -1.392 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC(CC)(CO)CO ZINC001220109646 780305950 /nfs/dbraw/zinc/30/59/50/780305950.db2.gz HWEDFZCOEWWVAI-ONGXEEELSA-N 0 3 289.376 -1.274 20 0 CAADHN CCC(CO)(CO)NC(=O)CN1CCCC[C@H](N)C1=O ZINC001220110082 780306036 /nfs/dbraw/zinc/30/60/36/780306036.db2.gz RLMFEWSTKLLRPD-JTQLQIEISA-N 0 3 287.360 -1.424 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001220117274 780306372 /nfs/dbraw/zinc/30/63/72/780306372.db2.gz FPZIDRUGMFTUCS-JUAIVUMSSA-N 0 3 298.343 -2.491 20 0 CAADHN CCC(CO)(CO)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220109799 780306402 /nfs/dbraw/zinc/30/64/02/780306402.db2.gz KSSYDIWHQUZMFG-VIFPVBQESA-N 0 3 273.333 -2.434 20 0 CAADHN Cc1cnc(=O)[nH]c1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220122234 780307637 /nfs/dbraw/zinc/30/76/37/780307637.db2.gz FWPSFGSUJZTTSF-MRVPVSSYSA-N 0 3 279.300 -1.240 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001220130065 780307659 /nfs/dbraw/zinc/30/76/59/780307659.db2.gz LSKGYLRAYKHGHI-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN N=C(NC(=O)[C@@H](N)CCC[NH3+])SCCS(=O)(=O)[O-] ZINC001220124647 780307684 /nfs/dbraw/zinc/30/76/84/780307684.db2.gz GLFVUDRJYMHVAV-LURJTMIESA-N 0 3 298.390 -1.275 20 0 CAADHN O=C(NCC1(F)CCOCC1)[C@@H]1COC2(CNC2)CN1 ZINC001220136864 780307739 /nfs/dbraw/zinc/30/77/39/780307739.db2.gz JQSNBFFDSJFNPZ-JTQLQIEISA-N 0 3 287.335 -1.048 20 0 CAADHN NC[C@H](N)C(=O)NCCCCCCN1C(=O)C=CC1=O ZINC001220127339 780307860 /nfs/dbraw/zinc/30/78/60/780307860.db2.gz QKUYAJZCEQOYLG-JTQLQIEISA-N 0 3 282.344 -1.126 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001220130066 780307958 /nfs/dbraw/zinc/30/79/58/780307958.db2.gz LSKGYLRAYKHGHI-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN N=C(NC(=O)[C@H](N)CCC[NH3+])SCCS(=O)(=O)[O-] ZINC001220124648 780308466 /nfs/dbraw/zinc/30/84/66/780308466.db2.gz GLFVUDRJYMHVAV-ZCFIWIBFSA-N 0 3 298.390 -1.275 20 0 CAADHN NC[C@H](N)C(=O)NCCC1CCS(=O)(=O)CC1 ZINC001220140908 780308964 /nfs/dbraw/zinc/30/89/64/780308964.db2.gz CZPXRHRNAQVMFY-VIFPVBQESA-N 0 3 263.363 -1.397 20 0 CAADHN CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)Cc2cnc[nH]2)C1 ZINC001220139642 780309207 /nfs/dbraw/zinc/30/92/07/780309207.db2.gz VEOWPQOZHOQZEW-HGNGGELXSA-N 0 3 286.357 -1.029 20 0 CAADHN CS(=O)(=O)[C@H]1C[C@H](NC(=O)[C@H](N)Cc2cnc[nH]2)C1 ZINC001220139643 780309474 /nfs/dbraw/zinc/30/94/74/780309474.db2.gz VEOWPQOZHOQZEW-SZEHBUNVSA-N 0 3 286.357 -1.029 20 0 CAADHN O=C(NCc1cc[nH]c(=O)c1)[C@@H]1COC2(CNC2)CN1 ZINC001220148288 780312170 /nfs/dbraw/zinc/31/21/70/780312170.db2.gz UWDJEFNCNULPHG-JTQLQIEISA-N 0 3 278.312 -1.266 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC2CC(CO)(CO)C2)C1=O ZINC001220152128 780312189 /nfs/dbraw/zinc/31/21/89/780312189.db2.gz VSDCAUZRHDHLNO-NSHDSACASA-N 0 3 299.371 -1.424 20 0 CAADHN O=C(NC1CC(CO)(CO)C1)[C@H]1COC2(CNC2)CN1 ZINC001220152035 780312459 /nfs/dbraw/zinc/31/24/59/780312459.db2.gz QURZIOUYAWVILY-SNVBAGLBSA-N 0 3 285.344 -2.434 20 0 CAADHN CS(=O)(=O)N1CC(NC(=O)[C@@H]2C[C@@H](F)CCN2)C1 ZINC001220145983 780312507 /nfs/dbraw/zinc/31/25/07/780312507.db2.gz YKDXCYVZVMRCBB-CBAPKCEASA-N 0 3 279.337 -1.164 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170360 780313526 /nfs/dbraw/zinc/31/35/26/780313526.db2.gz ISRBNVUJJQNBDS-GHMZBOCLSA-N 0 3 296.327 -1.072 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170360 780313528 /nfs/dbraw/zinc/31/35/28/780313528.db2.gz ISRBNVUJJQNBDS-GHMZBOCLSA-N 0 3 296.327 -1.072 20 0 CAADHN CC(C)N1CC(NC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001220159391 780313672 /nfs/dbraw/zinc/31/36/72/780313672.db2.gz OESQYWQAUCBXHT-NSHDSACASA-N 0 3 268.361 -1.474 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170363 780314876 /nfs/dbraw/zinc/31/48/76/780314876.db2.gz ISRBNVUJJQNBDS-WDEREUQCSA-N 0 3 296.327 -1.072 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220170363 780314878 /nfs/dbraw/zinc/31/48/78/780314878.db2.gz ISRBNVUJJQNBDS-WDEREUQCSA-N 0 3 296.327 -1.072 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NC1(CCO)COC1 ZINC001220174097 780315730 /nfs/dbraw/zinc/31/57/30/780315730.db2.gz VSVTTZQWNYJGNK-SECBINFHSA-N 0 3 254.290 -1.453 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC1(CCO)COC1 ZINC001220174097 780315737 /nfs/dbraw/zinc/31/57/37/780315737.db2.gz VSVTTZQWNYJGNK-SECBINFHSA-N 0 3 254.290 -1.453 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)[C@@H](O)C1 ZINC001220174312 780315795 /nfs/dbraw/zinc/31/57/95/780315795.db2.gz IITKLSLMKMTIQG-TUAOUCFPSA-N 0 3 299.371 -1.338 20 0 CAADHN O=C(NC1(CCO)COC1)[C@H]1COC2(CNC2)CN1 ZINC001220173291 780315988 /nfs/dbraw/zinc/31/59/88/780315988.db2.gz MJVSLRUZZGKGDU-SECBINFHSA-N 0 3 271.317 -2.416 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181190 780316869 /nfs/dbraw/zinc/31/68/69/780316869.db2.gz DKXNCUHMGJWVMT-XUXUHJBISA-N 0 3 264.347 -1.652 20 0 CAADHN Cn1ccc(CNC(=O)[C@H](N)CCCNC(N)=O)cc1=O ZINC001220179731 780316793 /nfs/dbraw/zinc/31/67/93/780316793.db2.gz QBVFQZLQNSVZLN-SNVBAGLBSA-N 0 3 295.343 -1.223 20 0 CAADHN Cn1ccc(CNC(=O)[C@@H]2COC3(CNC3)CN2)cc1=O ZINC001220178946 780317089 /nfs/dbraw/zinc/31/70/89/780317089.db2.gz APSSEAFPVPQJDY-NSHDSACASA-N 0 3 292.339 -1.668 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181428 780317403 /nfs/dbraw/zinc/31/74/03/780317403.db2.gz OLMRXGKMNGMBML-GUBZILKMSA-N 0 3 254.290 -1.455 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181428 780317409 /nfs/dbraw/zinc/31/74/09/780317409.db2.gz OLMRXGKMNGMBML-GUBZILKMSA-N 0 3 254.290 -1.455 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202295 780318539 /nfs/dbraw/zinc/31/85/39/780318539.db2.gz ANVNUVRWAYAPCR-HTQZYQBOSA-N 0 3 271.321 -1.986 20 0 CAADHN O=C(NC[C@H]1C[C@@H](O)C1)[C@@H]1COC2(CNC2)CN1 ZINC001220191808 780318890 /nfs/dbraw/zinc/31/88/90/780318890.db2.gz QJHRGBKCHPDNBO-AEJSXWLSSA-N 0 3 255.318 -1.796 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202766 780320014 /nfs/dbraw/zinc/32/00/14/780320014.db2.gz JZDWIPMCMPFZBP-APPZFPTMSA-N 0 3 251.290 -1.468 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220202766 780320021 /nfs/dbraw/zinc/32/00/21/780320021.db2.gz JZDWIPMCMPFZBP-APPZFPTMSA-N 0 3 251.290 -1.468 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC[C@H]2CNC(=O)C2)C1=O ZINC001220202901 780320106 /nfs/dbraw/zinc/32/01/06/780320106.db2.gz OOXFXBMOUBCBFV-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220203141 780320170 /nfs/dbraw/zinc/32/01/70/780320170.db2.gz WZMPEVRFQQVWMG-WPRPVWTQSA-N 0 3 265.317 -1.458 20 0 CAADHN O=C(NC1(c2cccnn2)CC1)[C@H]1COC2(CNC2)CN1 ZINC001220210036 780320271 /nfs/dbraw/zinc/32/02/71/780320271.db2.gz OHPIWSRCZCIGMX-SNVBAGLBSA-N 0 3 289.339 -1.088 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202886 780320499 /nfs/dbraw/zinc/32/04/99/780320499.db2.gz OFCCZKSOHGQCBM-FXQIFTODSA-N 0 3 299.331 -3.054 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202622 780320599 /nfs/dbraw/zinc/32/05/99/780320599.db2.gz GMWILBURGCWRMO-AUTRQRHGSA-N 0 3 284.360 -1.272 20 0 CAADHN O=C(NCCc1cnccn1)[C@H]1COC2(CNC2)CN1 ZINC001220242451 780323051 /nfs/dbraw/zinc/32/30/51/780323051.db2.gz ACQDNRRVBSAGQZ-LLVKDONJSA-N 0 3 277.328 -1.534 20 0 CAADHN N[C@H](C(=O)NCS(=O)(=O)[O-])C1CC[NH2+]CC1 ZINC001220241304 780323321 /nfs/dbraw/zinc/32/33/21/780323321.db2.gz WUPQSNYMYYTIIE-ZETCQYMHSA-N 0 3 251.308 -1.725 20 0 CAADHN O=C(NCS(=O)(=O)[O-])[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220240517 780324153 /nfs/dbraw/zinc/32/41/53/780324153.db2.gz MHYOIOLVHKPCHW-VXNVDRBHSA-N 0 3 263.319 -1.853 20 0 CAADHN COCCCN1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220245995 780324680 /nfs/dbraw/zinc/32/46/80/780324680.db2.gz KNKWWLLHUGHSLB-ZJUUUORDSA-N 0 3 285.344 -1.550 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC001220245533 780324721 /nfs/dbraw/zinc/32/47/21/780324721.db2.gz RTXFMVRQBNABNI-KOLCDFICSA-N 0 3 279.344 -1.116 20 0 CAADHN CN1C[C@@H](CNC(=O)[C@H]2COC3(CNC3)CN2)CC1=O ZINC001220245118 780324988 /nfs/dbraw/zinc/32/49/88/780324988.db2.gz HBBNPXRIIVZCTH-NXEZZACHSA-N 0 3 282.344 -2.089 20 0 CAADHN CN1C[C@@H](CNC(=O)[C@@H](N)CC[S@](C)=O)CC1=O ZINC001220245272 780325017 /nfs/dbraw/zinc/32/50/17/780325017.db2.gz MHFGUBRPLFJVQT-IDHHQXPSSA-N 0 3 275.374 -1.323 20 0 CAADHN CN1C[C@H](CNC(=O)[C@H]2COC3(CNC3)CN2)CC1=O ZINC001220245120 780325034 /nfs/dbraw/zinc/32/50/34/780325034.db2.gz HBBNPXRIIVZCTH-VHSXEESVSA-N 0 3 282.344 -2.089 20 0 CAADHN CN1C[C@@H](CNC(=O)[C@@H]2COC3(CNC3)CN2)CC1=O ZINC001220245121 780325081 /nfs/dbraw/zinc/32/50/81/780325081.db2.gz HBBNPXRIIVZCTH-ZJUUUORDSA-N 0 3 282.344 -2.089 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)CC1 ZINC001220246347 780325195 /nfs/dbraw/zinc/32/51/95/780325195.db2.gz RNMWRJCVOUNVLD-ZJUUUORDSA-N 0 3 267.329 -1.177 20 0 CAADHN O=C(NCc1n[nH]c(=O)[n-]1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220251661 780326947 /nfs/dbraw/zinc/32/69/47/780326947.db2.gz AXDJQAWYZACMAK-LURJTMIESA-N 0 3 252.278 -2.065 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220257600 780327014 /nfs/dbraw/zinc/32/70/14/780327014.db2.gz GJVJDROLHRITKZ-MXWKQRLJSA-N 0 3 297.355 -1.550 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)NCc1nc[nH]n1 ZINC001220250031 780327169 /nfs/dbraw/zinc/32/71/69/780327169.db2.gz LFBBCOKKHJOYPI-ZETCQYMHSA-N 0 3 252.278 -1.629 20 0 CAADHN CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220268527 780328081 /nfs/dbraw/zinc/32/80/81/780328081.db2.gz MGROLCZKAJTBTL-VIFPVBQESA-N 0 3 289.361 -1.713 20 0 CAADHN CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001220268527 780328087 /nfs/dbraw/zinc/32/80/87/780328087.db2.gz MGROLCZKAJTBTL-VIFPVBQESA-N 0 3 289.361 -1.713 20 0 CAADHN CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220269134 780328223 /nfs/dbraw/zinc/32/82/23/780328223.db2.gz WCVNTCMGBHPLBA-WNWIJWBNSA-N 0 3 299.418 -1.910 20 0 CAADHN CN(C)S(=O)(=O)CCNC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220268526 780328263 /nfs/dbraw/zinc/32/82/63/780328263.db2.gz MGROLCZKAJTBTL-SECBINFHSA-N 0 3 289.361 -1.713 20 0 CAADHN CN(C)S(=O)(=O)CCNC(=O)[C@H](N)Cc1cnc[nH]1 ZINC001220268526 780328264 /nfs/dbraw/zinc/32/82/64/780328264.db2.gz MGROLCZKAJTBTL-SECBINFHSA-N 0 3 289.361 -1.713 20 0 CAADHN O=C(N[C@H]1CCc2n[nH]cc2C1)[C@H]1COC2(CNC2)CN1 ZINC001220261352 780328470 /nfs/dbraw/zinc/32/84/70/780328470.db2.gz XKJXKYAYDXJTQQ-CMPLNLGQSA-N 0 3 291.355 -1.286 20 0 CAADHN CC1(C)OCC(NC(=O)[C@H]2COC3(CNC3)CN2)CO1 ZINC001220270806 780328691 /nfs/dbraw/zinc/32/86/91/780328691.db2.gz GYILNFWNFKFIHK-SNVBAGLBSA-N 0 3 285.344 -1.416 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)NCCC(N)=O)COC1(C)C ZINC001220276311 780330165 /nfs/dbraw/zinc/33/01/65/780330165.db2.gz DIXSJFWIHFRJIJ-YUMQZZPRSA-N 0 3 286.332 -1.711 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCC(N)=O ZINC001220277198 780330571 /nfs/dbraw/zinc/33/05/71/780330571.db2.gz ZXIMYFRJFDHWKL-WDSKDSINSA-N 0 3 273.293 -3.315 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1COC(=O)C1 ZINC001220295918 780331254 /nfs/dbraw/zinc/33/12/54/780331254.db2.gz ASZWPRBFZZFQKO-XVMARJQXSA-N 0 3 286.288 -2.875 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NCC1OCCO1 ZINC001220288603 780331696 /nfs/dbraw/zinc/33/16/96/780331696.db2.gz CFILTNJSWITRAW-GYKQLYQFSA-N 0 3 250.320 -1.429 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC1OCCO1 ZINC001220289013 780331922 /nfs/dbraw/zinc/33/19/22/780331922.db2.gz PAJUOHPROTVLGE-BQBZGAKWSA-N 0 3 288.304 -2.817 20 0 CAADHN O=C(NCC1OCCO1)[C@@H]1COC2(CNC2)CN1 ZINC001220288883 780332070 /nfs/dbraw/zinc/33/20/70/780332070.db2.gz LRZRCVVYFGGJBT-QMMMGPOBSA-N 0 3 257.290 -2.194 20 0 CAADHN O=C(C[C@@H]1COCCN1)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220290841 780332196 /nfs/dbraw/zinc/33/21/96/780332196.db2.gz FWEBUYFFQYPJBW-GHMZBOCLSA-N 0 3 268.317 -1.192 20 0 CAADHN O=C(C[C@@H]1COCCN1)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220290841 780332203 /nfs/dbraw/zinc/33/22/03/780332203.db2.gz FWEBUYFFQYPJBW-GHMZBOCLSA-N 0 3 268.317 -1.192 20 0 CAADHN NC(C(=O)NC[C@H]1CNC(=O)CO1)C(F)(F)F ZINC001220315990 780332527 /nfs/dbraw/zinc/33/25/27/780332527.db2.gz LFGNVYXAGKFCHV-XINAWCOVSA-N 0 3 255.196 -1.493 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220291115 780332517 /nfs/dbraw/zinc/33/25/17/780332517.db2.gz MEHZKYJBXMALLI-PWSUYJOCSA-N 0 3 292.343 -1.267 20 0 CAADHN C[C@H](NC(=O)[C@H]1COC2(CNC2)CN1)c1cnn(C)c1 ZINC001220308458 780333099 /nfs/dbraw/zinc/33/30/99/780333099.db2.gz LEMHOBODPRHOGE-GXSJLCMTSA-N 0 3 279.344 -1.072 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1COC2(CNC2)CN1)c1cnn(C)c1 ZINC001220308460 780333815 /nfs/dbraw/zinc/33/38/15/780333815.db2.gz LEMHOBODPRHOGE-KOLCDFICSA-N 0 3 279.344 -1.072 20 0 CAADHN COC(=O)[C@@H](N)CC(=O)NCc1ncn2c1CNCCC2 ZINC001220311091 780334009 /nfs/dbraw/zinc/33/40/09/780334009.db2.gz KJLREKVOQCHQFC-VIFPVBQESA-N 0 3 295.343 -1.117 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220315714 780334606 /nfs/dbraw/zinc/33/46/06/780334606.db2.gz HMJQXMWFRNRGRM-JGVFFNPUSA-N 0 3 287.320 -2.607 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316053 780334669 /nfs/dbraw/zinc/33/46/69/780334669.db2.gz LJDIDICJCOKOCJ-PUERIAAYSA-N 0 3 277.346 -2.287 20 0 CAADHN N[C@@H](CC(F)F)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316244 780334797 /nfs/dbraw/zinc/33/47/97/780334797.db2.gz NIQXZHNPWCULRC-WDSKDSINSA-N 0 3 251.233 -1.400 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316070 780335193 /nfs/dbraw/zinc/33/51/93/780335193.db2.gz LWRYNORIZZDAOL-HOTUBEGUSA-N 0 3 295.347 -1.903 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220316070 780335199 /nfs/dbraw/zinc/33/51/99/780335199.db2.gz LWRYNORIZZDAOL-HOTUBEGUSA-N 0 3 295.347 -1.903 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220316000 780335402 /nfs/dbraw/zinc/33/54/02/780335402.db2.gz LJDIDICJCOKOCJ-KEJSXXJDSA-N 0 3 277.346 -2.287 20 0 CAADHN O=C(NC[C@H]1CNC(=O)CO1)[C@H]1COC2(CNC2)CN1 ZINC001220315534 780335424 /nfs/dbraw/zinc/33/54/24/780335424.db2.gz FAZJXEAZMPXZNV-RKDXNWHRSA-N 0 3 284.316 -3.052 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220317517 780336869 /nfs/dbraw/zinc/33/68/69/780336869.db2.gz ZHWOQCJELWFVHU-ZJUUUORDSA-N 0 3 281.316 -2.079 20 0 CAADHN NC(=O)[C@H](CO)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220328732 780337649 /nfs/dbraw/zinc/33/76/49/780337649.db2.gz CMINZDZOZMMJBD-BQBZGAKWSA-N 0 3 258.278 -3.721 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)NCc1cn[nH]n1 ZINC001220329331 780338145 /nfs/dbraw/zinc/33/81/45/780338145.db2.gz MDAPJRJXKMCYED-QMMMGPOBSA-N 0 3 252.278 -1.629 20 0 CAADHN Cc1cc(NC(=O)[C@@H]2CNCCN2)n(N)c(=O)c1 ZINC001220323397 780338237 /nfs/dbraw/zinc/33/82/37/780338237.db2.gz GAIMXBWIKMOJIO-QMMMGPOBSA-N 0 3 251.290 -1.630 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)NCc1c[nH]nn1 ZINC001220328846 780338332 /nfs/dbraw/zinc/33/83/32/780338332.db2.gz CVGBSIDOJUUBLJ-FSPLSTOPSA-N 0 3 256.266 -2.755 20 0 CAADHN NC(=O)[C@H](CO)NC(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001220328914 780338540 /nfs/dbraw/zinc/33/85/40/780338540.db2.gz FIOGACNRSMALDB-RYUDHWBXSA-N 0 3 277.324 -1.309 20 0 CAADHN O=C(NCCC1COC1)[C@@H]1COC2(CNC2)CN1 ZINC001220341556 780339317 /nfs/dbraw/zinc/33/93/17/780339317.db2.gz ZRAZFGCQZVMSFU-JTQLQIEISA-N 0 3 255.318 -1.531 20 0 CAADHN COc1ccc(CNC(=O)[C@H]2COC3(CNC3)CN2)nn1 ZINC001220342922 780339333 /nfs/dbraw/zinc/33/93/33/780339333.db2.gz ARLNINYZRRFMLG-SNVBAGLBSA-N 0 3 293.327 -1.568 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O)N(C)C ZINC001220375722 780340571 /nfs/dbraw/zinc/34/05/71/780340571.db2.gz CHQDQPNNMKYDDF-VWYCJHECSA-N 0 3 286.376 -1.766 20 0 CAADHN COC(=O)c1n[nH]cc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220373101 780341420 /nfs/dbraw/zinc/34/14/20/780341420.db2.gz ADDXWQMLYJJQQS-MRVPVSSYSA-N 0 3 295.299 -1.535 20 0 CAADHN C[C@H](NC(=O)[C@@H]1COC2(CNC2)CN1)c1cnccn1 ZINC001220368623 780341631 /nfs/dbraw/zinc/34/16/31/780341631.db2.gz JEAXXGVTHJYGDT-ONGXEEELSA-N 0 3 277.328 -1.016 20 0 CAADHN C[NH+](C)CCC(C)(C)NC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220386343 780342451 /nfs/dbraw/zinc/34/24/51/780342451.db2.gz PNECWXZAKQSBQV-QMMMGPOBSA-N 0 3 269.353 -1.084 20 0 CAADHN C[NH+](C)CCC(C)(C)NC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220386343 780342456 /nfs/dbraw/zinc/34/24/56/780342456.db2.gz PNECWXZAKQSBQV-QMMMGPOBSA-N 0 3 269.353 -1.084 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220382029 780342508 /nfs/dbraw/zinc/34/25/08/780342508.db2.gz PZQBEAUBCJGBOT-LXIMFEHMSA-N 0 3 277.390 -1.471 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1COCCN1C ZINC001220381690 780342713 /nfs/dbraw/zinc/34/27/13/780342713.db2.gz MLJKZNONTQNCPZ-NEPJUHHUSA-N 0 3 281.360 -1.263 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220382275 780342830 /nfs/dbraw/zinc/34/28/30/780342830.db2.gz UHNGLTXSLRGMMG-QWRGUYRKSA-N 0 3 267.333 -1.274 20 0 CAADHN O=C(NCc1cc[nH]c1)[C@H]1COC2(CNC2)CN1 ZINC001220386205 780342938 /nfs/dbraw/zinc/34/29/38/780342938.db2.gz KDJAKQXIFPOTTQ-SNVBAGLBSA-N 0 3 250.302 -1.039 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220382276 780343553 /nfs/dbraw/zinc/34/35/53/780343553.db2.gz UHNGLTXSLRGMMG-WDEREUQCSA-N 0 3 267.333 -1.274 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)NC ZINC001220418437 780346275 /nfs/dbraw/zinc/34/62/75/780346275.db2.gz LAVVIGGKSGXOIF-NRPADANISA-N 0 3 272.349 -1.273 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)Nc1cc(=O)n(C)c(=O)[nH]1 ZINC001220424788 780346708 /nfs/dbraw/zinc/34/67/08/780346708.db2.gz UJEZWRZYQCLFJM-QMMMGPOBSA-N 0 3 292.299 -1.272 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001220406300 780346916 /nfs/dbraw/zinc/34/69/16/780346916.db2.gz OFSGBRHPGBXJHC-OUAUKWLOSA-N 0 3 297.355 -1.225 20 0 CAADHN CNC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220418809 780347132 /nfs/dbraw/zinc/34/71/32/780347132.db2.gz RIGYYUUQDREWDZ-ACZMJKKPSA-N 0 3 287.320 -3.056 20 0 CAADHN CNC(=O)[C@H](C)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220418100 780347167 /nfs/dbraw/zinc/34/71/67/780347167.db2.gz GPRGSWVRKAEESG-YUMQZZPRSA-N 0 3 256.306 -2.433 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001220406299 780347179 /nfs/dbraw/zinc/34/71/79/780347179.db2.gz OFSGBRHPGBXJHC-MXWKQRLJSA-N 0 3 297.355 -1.225 20 0 CAADHN Cn1c(=O)cc(NC(=O)[C@H]2COC3(CNC3)CN2)[nH]c1=O ZINC001220424941 780347706 /nfs/dbraw/zinc/34/77/06/780347706.db2.gz ZKFVXYQBFUMTAS-SSDOTTSWSA-N 0 3 295.299 -2.245 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220427839 780347857 /nfs/dbraw/zinc/34/78/57/780347857.db2.gz PNYJJYGKFVAGAH-BBBLOLIVSA-N 0 3 293.389 -1.506 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]1COCCN1 ZINC001220429411 780347872 /nfs/dbraw/zinc/34/78/72/780347872.db2.gz RBMICCSTNZRHME-NMIRZEMHSA-N 0 3 263.363 -1.813 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428227 780348169 /nfs/dbraw/zinc/34/81/69/780348169.db2.gz WJVAFDACMXFWKE-BBBLOLIVSA-N 0 3 293.389 -1.505 20 0 CAADHN COC(=O)[C@@H](N)CCC(=O)NC[C@@H]1COCCN1 ZINC001220429476 780348620 /nfs/dbraw/zinc/34/86/20/780348620.db2.gz SCFCFBDWRWXVGH-BDAKNGLRSA-N 0 3 259.306 -1.629 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N[C@H](CO)C(F)(F)F ZINC001220447875 780349296 /nfs/dbraw/zinc/34/92/96/780349296.db2.gz QNMBENIAANINLX-PHDIDXHHSA-N 0 3 286.254 -1.198 20 0 CAADHN O=C(CCO)CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220449217 780349558 /nfs/dbraw/zinc/34/95/58/780349558.db2.gz PEVQWTCNKFKSSO-VIFPVBQESA-N 0 3 257.290 -2.616 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220492006 780353067 /nfs/dbraw/zinc/35/30/67/780353067.db2.gz FWKIAFZPUVSJQI-CBAPKCEASA-N 0 3 254.290 -1.195 20 0 CAADHN COCCOCCOCCOCCNC(=O)[C@@H](N)CN ZINC001220512365 780356677 /nfs/dbraw/zinc/35/66/77/780356677.db2.gz NGUULSWZLXQLCB-NSHDSACASA-N 0 3 293.364 -1.915 20 0 CAADHN COCCCN1C[C@@H](NC(=O)C[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001220528562 780360376 /nfs/dbraw/zinc/36/03/76/780360376.db2.gz SWKASCRSSJGQMY-UTUOFQBUSA-N 0 3 299.371 -1.147 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H]2CN(CCCOC)C[C@@H]2O)CC1 ZINC001220540730 780362100 /nfs/dbraw/zinc/36/21/00/780362100.db2.gz CLLWQUUBUPLTQM-MNOVXSKESA-N 0 3 299.371 -1.290 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NCCN1CC2(COC2)C1 ZINC001220571397 780363776 /nfs/dbraw/zinc/36/37/76/780363776.db2.gz QMIWPQKBFOCSHJ-LBPRGKRZSA-N 0 3 293.371 -1.262 20 0 CAADHN CCOC(=O)[C@H](Cc1ccccn1)NC(=O)[C@@H](N)CN ZINC001220564892 780364745 /nfs/dbraw/zinc/36/47/45/780364745.db2.gz HGICMDOKTXZMFM-QWRGUYRKSA-N 0 3 280.328 -1.042 20 0 CAADHN C[C@H](O)CCCN1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001220573301 780365207 /nfs/dbraw/zinc/36/52/07/780365207.db2.gz TVXYGKQNYLBZTR-AEJSXWLSSA-N 0 3 283.332 -1.259 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)C(N)C(F)(F)F ZINC001220576154 780365284 /nfs/dbraw/zinc/36/52/84/780365284.db2.gz UBFORHRDAMIPNQ-ZCFIWIBFSA-N 0 3 271.195 -1.719 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)C(N)C(F)(F)F ZINC001220576153 780365413 /nfs/dbraw/zinc/36/54/13/780365413.db2.gz UBFORHRDAMIPNQ-LURJTMIESA-N 0 3 271.195 -1.719 20 0 CAADHN CC(C)(O)CCCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220573676 780365432 /nfs/dbraw/zinc/36/54/32/780365432.db2.gz SPJAETLBXMKLJX-SNVBAGLBSA-N 0 3 271.361 -1.016 20 0 CAADHN COC[C@H](O)CN1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001220573111 780365736 /nfs/dbraw/zinc/36/57/36/780365736.db2.gz QEBVLQAKOGYTNM-HLTSFMKQSA-N 0 3 285.304 -2.413 20 0 CAADHN COC[C@H](O)CN1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001220573111 780365747 /nfs/dbraw/zinc/36/57/47/780365747.db2.gz QEBVLQAKOGYTNM-HLTSFMKQSA-N 0 3 285.304 -2.413 20 0 CAADHN COC[C@H](O)CN1C[C@@H](NC(=O)c2nc[nH]n2)[C@@H](O)C1 ZINC001220573111 780365757 /nfs/dbraw/zinc/36/57/57/780365757.db2.gz QEBVLQAKOGYTNM-HLTSFMKQSA-N 0 3 285.304 -2.413 20 0 CAADHN CC(C)(O)CCCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220573675 780365953 /nfs/dbraw/zinc/36/59/53/780365953.db2.gz SPJAETLBXMKLJX-JTQLQIEISA-N 0 3 271.361 -1.016 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O ZINC001220576638 780367445 /nfs/dbraw/zinc/36/74/45/780367445.db2.gz JIMQTCVOTAVRPR-MNOVXSKESA-N 0 3 286.376 -1.765 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1O ZINC001220582789 780367747 /nfs/dbraw/zinc/36/77/47/780367747.db2.gz DTCACTUZLACGCK-MXWKQRLJSA-N 0 3 286.376 -1.637 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001220584975 780368364 /nfs/dbraw/zinc/36/83/64/780368364.db2.gz RFCFCGVCOPDLER-NEPJUHHUSA-N 0 3 273.377 -1.128 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001220584765 780368420 /nfs/dbraw/zinc/36/84/20/780368420.db2.gz IVAJCFIBIDTVOF-MNOVXSKESA-N 0 3 259.350 -1.518 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C1 ZINC001220598830 780369195 /nfs/dbraw/zinc/36/91/95/780369195.db2.gz DZACYUVTDDPCSN-RCOVLWMOSA-N 0 3 299.331 -2.959 20 0 CAADHN CN1CCC[C@H](NC(=O)[C@H]2COC3(CNC3)CN2)C1=O ZINC001220591237 780369657 /nfs/dbraw/zinc/36/96/57/780369657.db2.gz YWRZOWLOCRPOND-VHSXEESVSA-N 0 3 282.344 -1.946 20 0 CAADHN NC[C@H](N)C(=O)NCc1ccccc1-n1cnnn1 ZINC001220668574 780373609 /nfs/dbraw/zinc/37/36/09/780373609.db2.gz URNNISUELQZODO-VIFPVBQESA-N 0 3 261.289 -1.436 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220725083 780376051 /nfs/dbraw/zinc/37/60/51/780376051.db2.gz MEAICSBRWCODII-ZHYXMNDGSA-N 0 3 291.417 -1.081 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220725080 780376393 /nfs/dbraw/zinc/37/63/93/780376393.db2.gz MEAICSBRWCODII-ADWYPQAOSA-N 0 3 291.417 -1.081 20 0 CAADHN C[C@@H](O)CCCN1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001220726028 780376550 /nfs/dbraw/zinc/37/65/50/780376550.db2.gz GRFZYRCWUPNPBT-MXWKQRLJSA-N 0 3 297.359 -1.331 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220725769 780377238 /nfs/dbraw/zinc/37/72/38/780377238.db2.gz XXWMYDVVVRXUOT-NWDGAFQWSA-N 0 3 298.387 -1.846 20 0 CAADHN COC(CCCNC(=O)[C@@H]1COC2(CNC2)CN1)OC ZINC001220741342 780377808 /nfs/dbraw/zinc/37/78/08/780377808.db2.gz LZPCPCIJSMRKAC-JTQLQIEISA-N 0 3 287.360 -1.168 20 0 CAADHN NC[C@H](N)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756971 780377946 /nfs/dbraw/zinc/37/79/46/780377946.db2.gz PDELGCPTNYNDMQ-VIFPVBQESA-N 0 3 278.378 -2.491 20 0 CAADHN CC(=O)NC[C@H](C)CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220756962 780378227 /nfs/dbraw/zinc/37/82/27/780378227.db2.gz PACZVEZNIHQWKL-GXSJLCMTSA-N 0 3 284.360 -1.795 20 0 CAADHN COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H](C)N ZINC001220770152 780378263 /nfs/dbraw/zinc/37/82/63/780378263.db2.gz UURJBGZIVMYXAZ-APPZFPTMSA-N 0 3 254.290 -1.032 20 0 CAADHN CC(=O)NC[C@@H](C)CNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220756722 780378606 /nfs/dbraw/zinc/37/86/06/780378606.db2.gz INARMQCLSAEUNK-GYNPQETDSA-N 0 3 277.390 -1.029 20 0 CAADHN COC(CCCNC(=O)[C@H]1COC2(CNC2)CN1)OC ZINC001220741343 780378492 /nfs/dbraw/zinc/37/84/92/780378492.db2.gz LZPCPCIJSMRKAC-SNVBAGLBSA-N 0 3 287.360 -1.168 20 0 CAADHN C[C@@H](N)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220757092 780380924 /nfs/dbraw/zinc/38/09/24/780380924.db2.gz TXEIGYQRSHWICB-SECBINFHSA-N 0 3 263.363 -1.430 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001220799254 780381976 /nfs/dbraw/zinc/38/19/76/780381976.db2.gz SSLXLZMDIWTIDL-AXFHLTTASA-N 0 3 285.344 -1.537 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001220798888 780382430 /nfs/dbraw/zinc/38/24/30/780382430.db2.gz KOVMOTOMNQBJEE-TUAOUCFPSA-N 0 3 299.371 -1.147 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001220817608 780382505 /nfs/dbraw/zinc/38/25/05/780382505.db2.gz ZJNNGXJNUQZKII-ZJUUUORDSA-N 0 3 272.349 -2.025 20 0 CAADHN CCOC(=O)C1(NC(=O)[C@@H]2COC(C)(C)N2)CNC1 ZINC001220851055 780385685 /nfs/dbraw/zinc/38/56/85/780385685.db2.gz FRXYMKFKYHRDDT-QMMMGPOBSA-N 0 3 271.317 -1.268 20 0 CAADHN CCOC(=O)[C@@H](C)CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220849118 780386339 /nfs/dbraw/zinc/38/63/39/780386339.db2.gz SRFGEVRYFFYPDN-VHSXEESVSA-N 0 3 285.344 -1.368 20 0 CAADHN N[C@H](C(=O)NCC(=O)CCC(=O)[O-])C1CC[NH2+]CC1 ZINC001220848659 780386414 /nfs/dbraw/zinc/38/64/14/780386414.db2.gz FDVLBECMOUWFAV-NSHDSACASA-N 0 3 271.317 -1.137 20 0 CAADHN CCOC(=O)[C@H](C)CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220849116 780387123 /nfs/dbraw/zinc/38/71/23/780387123.db2.gz SRFGEVRYFFYPDN-NXEZZACHSA-N 0 3 285.344 -1.368 20 0 CAADHN CC[C@H](COC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220866112 780387462 /nfs/dbraw/zinc/38/74/62/780387462.db2.gz RACRFGIEZDFSRZ-YIZRAAEISA-N 0 3 288.348 -1.765 20 0 CAADHN O=C(NCCO[C@H]1CCCCO1)[C@H]1COC2(CNC2)CN1 ZINC001220862315 780388346 /nfs/dbraw/zinc/38/83/46/780388346.db2.gz XFWDPMDNFJBIPI-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)NCCN1CCNCC1=O ZINC001220874364 780390107 /nfs/dbraw/zinc/39/01/07/780390107.db2.gz GVWNAQMQXNRHKG-JTQLQIEISA-N 0 3 297.359 -2.516 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NCCN1CCNCC1=O ZINC001220872509 780390190 /nfs/dbraw/zinc/39/01/90/780390190.db2.gz XDAJGNJZLCNZNJ-NSHDSACASA-N 0 3 294.359 -2.162 20 0 CAADHN N[C@@H](CC(F)F)C(=O)NCCN1CCNCC1=O ZINC001220874214 780390459 /nfs/dbraw/zinc/39/04/59/780390459.db2.gz FAZJQPUTIFPHDN-ZETCQYMHSA-N 0 3 264.276 -1.483 20 0 CAADHN C[C@@H](N)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220877060 780390843 /nfs/dbraw/zinc/39/08/43/780390843.db2.gz ULABLZGSIMUYFA-MRVPVSSYSA-N 0 3 255.274 -1.609 20 0 CAADHN NC[C@H](N)C(=O)NCCNC(=O)c1cccs1 ZINC001221309107 780414129 /nfs/dbraw/zinc/41/41/29/780414129.db2.gz HXYNFTDBBKTZIQ-ZETCQYMHSA-N 0 3 256.331 -1.120 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H](O)CF ZINC001221336193 780415810 /nfs/dbraw/zinc/41/58/10/780415810.db2.gz DAPYGAJRKLOSMT-NKWVEPMBSA-N 0 3 250.274 -1.791 20 0 CAADHN COC(=O)[C@H]1C[C@H]1CNC(=O)[C@H](N)CCCNC(N)=O ZINC001220881544 780392504 /nfs/dbraw/zinc/39/25/04/780392504.db2.gz MIHRHFYCQJXDQG-XHNCKOQMSA-N 0 3 286.332 -1.313 20 0 CAADHN O=C(Cn1cc(F)c(=O)[n-]c1=O)N[C@H]1CCC[NH2+]C1 ZINC001220886735 780393250 /nfs/dbraw/zinc/39/32/50/780393250.db2.gz LHXPPLVAJAQRRT-ZETCQYMHSA-N 0 3 270.264 -1.044 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220882625 780393418 /nfs/dbraw/zinc/39/34/18/780393418.db2.gz XMFGOLQTEYCLCZ-OPRDCNLKSA-N 0 3 283.328 -1.758 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC[C@@H](O)CF)C1=O ZINC001221337810 780416402 /nfs/dbraw/zinc/41/64/02/780416402.db2.gz MPNCCJUHBCNMSK-IUCAKERBSA-N 0 3 261.297 -1.227 20 0 CAADHN CCC(=O)N1CC[C@H](NC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001220907438 780394593 /nfs/dbraw/zinc/39/45/93/780394593.db2.gz RTTOJVYOSDECDX-WDEREUQCSA-N 0 3 296.371 -1.556 20 0 CAADHN CCCN1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001220934441 780395336 /nfs/dbraw/zinc/39/53/36/780395336.db2.gz ZLCPCZXHXRNZBO-AEJSXWLSSA-N 0 3 298.343 -1.454 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935614 780395364 /nfs/dbraw/zinc/39/53/64/780395364.db2.gz NGVXCKLDMUCOSB-BDAKNGLRSA-N 0 3 258.322 -1.386 20 0 CAADHN Cc1noc(C2(NC(=O)[C@@H]3COC4(CNC4)CN3)CC2)n1 ZINC001220933076 780395736 /nfs/dbraw/zinc/39/57/36/780395736.db2.gz VCSPEUINSDLZOL-VIFPVBQESA-N 0 3 293.327 -1.186 20 0 CAADHN NC[C@H](N)C(=O)NCC(=O)NCc1ccc(F)cc1 ZINC001220939837 780395820 /nfs/dbraw/zinc/39/58/20/780395820.db2.gz YBTHIJRSXGTMAQ-JTQLQIEISA-N 0 3 268.292 -1.156 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](O)C1 ZINC001220933540 780396660 /nfs/dbraw/zinc/39/66/60/780396660.db2.gz CARFVXDRSQBLLP-AEJSXWLSSA-N 0 3 298.343 -1.456 20 0 CAADHN CCCN1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935445 780396991 /nfs/dbraw/zinc/39/69/91/780396991.db2.gz GXAPDZWALLVYAD-BDAKNGLRSA-N 0 3 258.322 -1.384 20 0 CAADHN COC(=O)CC[C@H](NC(=O)[C@@H]1C[C@@H](F)CCN1)C(N)=O ZINC001221019097 780401864 /nfs/dbraw/zinc/40/18/64/780401864.db2.gz OSRKLXZONQPYEI-CIUDSAMLSA-N 0 3 289.307 -1.000 20 0 CAADHN COC(=O)CC[C@H](NC(=O)C(N)C(F)(F)F)C(N)=O ZINC001221018543 780401931 /nfs/dbraw/zinc/40/19/31/780401931.db2.gz FILOLKLNMHEOIP-NJGYIYPDSA-N 0 3 285.222 -1.201 20 0 CAADHN COC(=O)CC[C@H](NC(=O)C(N)C(F)(F)F)C(N)=O ZINC001221018547 780402204 /nfs/dbraw/zinc/40/22/04/780402204.db2.gz FILOLKLNMHEOIP-UJURSFKZSA-N 0 3 285.222 -1.201 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001221093806 780403740 /nfs/dbraw/zinc/40/37/40/780403740.db2.gz XYAMISRYNTYAGG-UTUOFQBUSA-N 0 3 298.387 -1.624 20 0 CAADHN O=C(NCc1ccnn1CCF)[C@@H]1COC2(CNC2)CN1 ZINC001221105806 780404133 /nfs/dbraw/zinc/40/41/33/780404133.db2.gz BGRWGJMYJYLHQI-NSHDSACASA-N 0 3 297.334 -1.201 20 0 CAADHN O=C(NCc1ccnn1CCF)[C@H]1COC2(CNC2)CN1 ZINC001221105805 780404412 /nfs/dbraw/zinc/40/44/12/780404412.db2.gz BGRWGJMYJYLHQI-LLVKDONJSA-N 0 3 297.334 -1.201 20 0 CAADHN NC[C@H](N)C(=O)NCc1ccc(N2CCCNC2=O)nc1 ZINC001221153866 780404472 /nfs/dbraw/zinc/40/44/72/780404472.db2.gz SDTPHJHFPMEOCV-JTQLQIEISA-N 0 3 292.343 -1.097 20 0 CAADHN Cc1nccnc1CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001221103500 780404539 /nfs/dbraw/zinc/40/45/39/780404539.db2.gz LTQJUJSFCWQIMQ-LLVKDONJSA-N 0 3 277.328 -1.268 20 0 CAADHN COCCC1([NH3+])CCN(C(=O)[C@@H](N)Cc2nnn[n-]2)CC1 ZINC001221134493 780404554 /nfs/dbraw/zinc/40/45/54/780404554.db2.gz YVEAQDFOMLFFJC-VIFPVBQESA-N 0 3 297.363 -1.574 20 0 CAADHN COCCC1([NH3+])CCN(C(=O)[C@@H](N)Cc2nn[n-]n2)CC1 ZINC001221134493 780404555 /nfs/dbraw/zinc/40/45/55/780404555.db2.gz YVEAQDFOMLFFJC-VIFPVBQESA-N 0 3 297.363 -1.574 20 0 CAADHN COCCOc1nccc(CNC(=O)[C@@H](N)CN)n1 ZINC001221157797 780404755 /nfs/dbraw/zinc/40/47/55/780404755.db2.gz NQUCMZPLHSJNQB-VIFPVBQESA-N 0 3 269.305 -1.596 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O ZINC001221091843 780404780 /nfs/dbraw/zinc/40/47/80/780404780.db2.gz YKCOSZZVPGMBLG-AXFHLTTASA-N 0 3 286.376 -1.638 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC1CN(C(C)(C)C)C1 ZINC001221196536 780406828 /nfs/dbraw/zinc/40/68/28/780406828.db2.gz RTZHGEAESRQBEW-WPRPVWTQSA-N 0 3 286.376 -1.590 20 0 CAADHN Nc1c2c(=O)nccc-2[n-]n1C(=O)[C@@H](N)CCC[NH3+] ZINC001221236837 780407093 /nfs/dbraw/zinc/40/70/93/780407093.db2.gz KLQWZAFAZBGFPE-LURJTMIESA-N 0 3 264.289 -1.035 20 0 CAADHN COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CNC(C)=O)[C@@H]2C1 ZINC001221232310 780407191 /nfs/dbraw/zinc/40/71/91/780407191.db2.gz IQBWPHZFKFTLOT-JHJVBQTASA-N 0 3 299.371 -1.338 20 0 CAADHN CCCC[C@H](NC(=O)[C@@H]1COC2(CNC2)CN1)C(N)=O ZINC001221234361 780407553 /nfs/dbraw/zinc/40/75/53/780407553.db2.gz FQGLINIFHOZPTI-UWVGGRQHSA-N 0 3 284.360 -1.523 20 0 CAADHN N[C@@H](CC(F)F)C(=O)N1CN[C@@H](N)[C@@H]2NCN[C@@H]21 ZINC001221266121 780408135 /nfs/dbraw/zinc/40/81/35/780408135.db2.gz SJYXYFIDWVPIPE-ZAKLUEHWSA-N 0 3 264.280 -2.512 20 0 CAADHN O=C(NC1CN(C2COC2)C1)[C@@H]1COC2(CNC2)CN1 ZINC001221246104 780408164 /nfs/dbraw/zinc/40/81/64/780408164.db2.gz PJPCWIVGEQUBKT-NSHDSACASA-N 0 3 282.344 -2.484 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC2CN(C3COC3)C2)C1=O ZINC001221246301 780408297 /nfs/dbraw/zinc/40/82/97/780408297.db2.gz XDDCWYAAMSAEBT-LBPRGKRZSA-N 0 3 296.371 -1.475 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC1CN(C2COC2)C1 ZINC001221246269 780408897 /nfs/dbraw/zinc/40/88/97/780408897.db2.gz VYFZBLYZDWPQBJ-XTZNXHDOSA-N 0 3 275.374 -1.719 20 0 CAADHN N[C@@H](Cc1ccsc1)C(=O)N1CN[C@@H](N)[C@H]2NCN[C@H]21 ZINC001221266485 780411744 /nfs/dbraw/zinc/41/17/44/780411744.db2.gz WOCFXHAPEGXFAL-ZDCRXTMVSA-N 0 3 296.400 -1.863 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC1=CC(=O)NCC1 ZINC001221314290 780414341 /nfs/dbraw/zinc/41/43/41/780414341.db2.gz QPAPUWIADQZZNE-JTQLQIEISA-N 0 3 263.301 -1.190 20 0 CAADHN O=C(NC1=CC(=O)NCC1)[C@@H]1COC2(CNC2)CN1 ZINC001221316124 780414415 /nfs/dbraw/zinc/41/44/15/780414415.db2.gz GCTREGLOJBCQOG-VIFPVBQESA-N 0 3 266.301 -2.163 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC1=CC(=O)NCC1 ZINC001221316548 780414992 /nfs/dbraw/zinc/41/49/92/780414992.db2.gz KPZYECSUFTUSPZ-UFBFGSQYSA-N 0 3 282.344 -1.004 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC1=CC(=O)NCC1 ZINC001221317134 780415003 /nfs/dbraw/zinc/41/50/03/780415003.db2.gz WSZHFVQWANNUCE-QPFGOUBPSA-N 0 3 259.331 -1.398 20 0 CAADHN [NH3+]CCCCNC(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001221347202 780415613 /nfs/dbraw/zinc/41/56/13/780415613.db2.gz IFRRWJFJPGBCHD-UHFFFAOYSA-N 0 3 258.253 -1.057 20 0 CAADHN O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@H]1COC2(CNC2)CN1 ZINC001221339784 780415792 /nfs/dbraw/zinc/41/57/92/780415792.db2.gz PJSPLFQBRRKVMO-RGOKHQFPSA-N 0 3 253.302 -1.922 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H](O)CF ZINC001221338707 780415949 /nfs/dbraw/zinc/41/59/49/780415949.db2.gz ROOCFYAINBXJSB-XKSSXDPKSA-N 0 3 263.313 -1.077 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@H](O)CF ZINC001221338533 780416017 /nfs/dbraw/zinc/41/60/17/780416017.db2.gz ROOCFYAINBXJSB-NRPADANISA-N 0 3 263.313 -1.077 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H](O)CF)COC1(C)C ZINC001221339293 780416156 /nfs/dbraw/zinc/41/61/56/780416156.db2.gz YHSNDVIAWWAAPG-CIUDSAMLSA-N 0 3 291.323 -1.256 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001221340065 780416201 /nfs/dbraw/zinc/41/62/01/780416201.db2.gz SPRKNLLOCDNMLY-XWIWCORWSA-N 0 3 284.316 -2.545 20 0 CAADHN O=C(N[C@H]1[C@@H]2COC[C@@H]21)[C@@H]1COC2(CNC2)CN1 ZINC001221339783 780416373 /nfs/dbraw/zinc/41/63/73/780416373.db2.gz PJSPLFQBRRKVMO-QCLAVDOMSA-N 0 3 253.302 -1.922 20 0 CAADHN O=C(NC[C@H]1CNC(=O)O1)[C@@H]1COC2(CNC2)CN1 ZINC001221368928 780417043 /nfs/dbraw/zinc/41/70/43/780417043.db2.gz IRISRUXNECVBBO-YUMQZZPRSA-N 0 3 270.289 -2.459 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221367725 780417257 /nfs/dbraw/zinc/41/72/57/780417257.db2.gz BCLWWASPYZUFQV-RNFRBKRXSA-N 0 3 273.293 -2.013 20 0 CAADHN COC1CC(CNC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001221368374 780417456 /nfs/dbraw/zinc/41/74/56/780417456.db2.gz WLRZPIPFTCHJGO-VQXHTEKXSA-N 0 3 269.345 -1.142 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N[C@H]1CNC(=O)C1(C)C ZINC001221367763 780417703 /nfs/dbraw/zinc/41/77/03/780417703.db2.gz CEFFKQSQHHPOML-QQJLPTOTSA-N 0 3 275.374 -1.277 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N[C@@H]1CNC(=O)C1(C)C ZINC001221367761 780417753 /nfs/dbraw/zinc/41/77/53/780417753.db2.gz CEFFKQSQHHPOML-LPDMDUEVSA-N 0 3 275.374 -1.277 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC[C@H]2CNC(=O)O2)C1=O ZINC001221369077 780417816 /nfs/dbraw/zinc/41/78/16/780417816.db2.gz JSNGSUJIMUCZRN-IUCAKERBSA-N 0 3 284.316 -1.449 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221371827 780418436 /nfs/dbraw/zinc/41/84/36/780418436.db2.gz ZCFPDDMSUYZADN-OLIMHSOTSA-N 0 3 263.319 -1.693 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221371829 780418271 /nfs/dbraw/zinc/41/82/71/780418271.db2.gz ZCFPDDMSUYZADN-YDOATTNVSA-N 0 3 263.319 -1.693 20 0 CAADHN CC1(C)C(=O)NC[C@@H]1NC(=O)CN1CCCC[C@H](N)C1=O ZINC001221370169 780418414 /nfs/dbraw/zinc/41/84/14/780418414.db2.gz PLXIFCHSKNZARC-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N[C@H]1CNC(=O)C1(C)C ZINC001221371844 780418464 /nfs/dbraw/zinc/41/84/64/780418464.db2.gz ZSFOXQMUHNVMJO-UWVGGRQHSA-N 0 3 279.344 -1.069 20 0 CAADHN CC1(C)C(=O)NC[C@@H]1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001221370405 780418543 /nfs/dbraw/zinc/41/85/43/780418543.db2.gz QPUGQBYJPFFEPZ-BDAKNGLRSA-N 0 3 282.344 -2.042 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221370828 780418779 /nfs/dbraw/zinc/41/87/79/780418779.db2.gz UNXALBMNJYVUDM-YUMQZZPRSA-N 0 3 253.262 -1.496 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221370828 780418787 /nfs/dbraw/zinc/41/87/87/780418787.db2.gz UNXALBMNJYVUDM-YUMQZZPRSA-N 0 3 253.262 -1.496 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221371828 780418860 /nfs/dbraw/zinc/41/88/60/780418860.db2.gz ZCFPDDMSUYZADN-XKRJZGAWSA-N 0 3 263.319 -1.693 20 0 CAADHN CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001221370407 780418887 /nfs/dbraw/zinc/41/88/87/780418887.db2.gz QPUGQBYJPFFEPZ-DTWKUNHWSA-N 0 3 282.344 -2.042 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221371830 780419206 /nfs/dbraw/zinc/41/92/06/780419206.db2.gz ZCFPDDMSUYZADN-ZZHYIZSMSA-N 0 3 263.319 -1.693 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221370825 780419347 /nfs/dbraw/zinc/41/93/47/780419347.db2.gz UNXALBMNJYVUDM-JGVFFNPUSA-N 0 3 253.262 -1.496 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CNC(=O)O1 ZINC001221370825 780419348 /nfs/dbraw/zinc/41/93/48/780419348.db2.gz UNXALBMNJYVUDM-JGVFFNPUSA-N 0 3 253.262 -1.496 20 0 CAADHN CC1(C)C(=O)NC[C@H]1NC(=O)CN1CCCC[C@H](N)C1=O ZINC001221370173 780419428 /nfs/dbraw/zinc/41/94/28/780419428.db2.gz PLXIFCHSKNZARC-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN Cc1nnc(CNC(=O)[C@H](N)CCCNC(N)=O)[nH]1 ZINC001221410189 780420021 /nfs/dbraw/zinc/42/00/21/780420021.db2.gz XDDLKSJXUFHCOY-SSDOTTSWSA-N 0 3 269.309 -1.495 20 0 CAADHN Cn1ncc(NC(=O)[C@@H](N)CN)c(Br)c1=O ZINC001221402144 780420036 /nfs/dbraw/zinc/42/00/36/780420036.db2.gz WFFNCQNKHUMVCF-BYPYZUCNSA-N 0 3 290.121 -1.233 20 0 CAADHN C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c1ccno1 ZINC001221397626 780420093 /nfs/dbraw/zinc/42/00/93/780420093.db2.gz PJVCMUNFQOPZQZ-RNJXMRFFSA-N 0 3 297.315 -1.441 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408536 780420483 /nfs/dbraw/zinc/42/04/83/780420483.db2.gz JHVAAJSCEFBKPG-GXSJLCMTSA-N 0 3 279.348 -1.426 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221408536 780420488 /nfs/dbraw/zinc/42/04/88/780420488.db2.gz JHVAAJSCEFBKPG-GXSJLCMTSA-N 0 3 279.348 -1.426 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1C[C@H]1C1CC1 ZINC001221406599 780420644 /nfs/dbraw/zinc/42/06/44/780420644.db2.gz HJNPLMGFDLFOGV-LKEDHPFLSA-N 0 3 282.344 -1.392 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001221406600 780420692 /nfs/dbraw/zinc/42/06/92/780420692.db2.gz HJNPLMGFDLFOGV-MCNGFCJOSA-N 0 3 282.344 -1.392 20 0 CAADHN O=C(NCCOc1ccncc1)[C@@H]1COC2(CNC2)CN1 ZINC001221393358 780420738 /nfs/dbraw/zinc/42/07/38/780420738.db2.gz BUKHIGRHTONDQW-LBPRGKRZSA-N 0 3 292.339 -1.093 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001221525084 780422111 /nfs/dbraw/zinc/42/21/11/780422111.db2.gz RCBUQXXLWNFDFN-GHMZBOCLSA-N 0 3 284.360 -1.170 20 0 CAADHN CN(C)C(=O)CC(=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001221857886 780423695 /nfs/dbraw/zinc/42/36/95/780423695.db2.gz GSHVLVOYLPXRKQ-GHMZBOCLSA-N 0 3 269.345 -1.010 20 0 CAADHN COCCNCC(=O)NC[C@@]1(OC)CCS(=O)(=O)C1 ZINC000720865467 780432571 /nfs/dbraw/zinc/43/25/71/780432571.db2.gz ICSBQAJERKCFRM-NSHDSACASA-N 0 3 294.373 -1.458 20 0 CAADHN COCCNCC(=O)NC[C@]1(OC)CCS(=O)(=O)C1 ZINC000720865466 780432619 /nfs/dbraw/zinc/43/26/19/780432619.db2.gz ICSBQAJERKCFRM-LLVKDONJSA-N 0 3 294.373 -1.458 20 0 CAADHN NC(=O)C(=O)NCC1CCN(CCn2cncn2)CC1 ZINC001224312478 780433208 /nfs/dbraw/zinc/43/32/08/780433208.db2.gz OJXHHWLIVKHVJN-UHFFFAOYSA-N 0 3 280.332 -1.408 20 0 CAADHN NC(=O)C(=O)NCC1CCN(CCNC(=O)C2CC2)CC1 ZINC001224304471 780433802 /nfs/dbraw/zinc/43/38/02/780433802.db2.gz XBTDTGWYQGONCO-UHFFFAOYSA-N 0 3 296.371 -1.174 20 0 CAADHN NC(=O)C(=O)NCC1CCN(CCN2CCNC2=O)CC1 ZINC001224302856 780434131 /nfs/dbraw/zinc/43/41/31/780434131.db2.gz BAKJBULPAGFBQQ-UHFFFAOYSA-N 0 3 297.359 -1.675 20 0 CAADHN CS(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001225159408 780436546 /nfs/dbraw/zinc/43/65/46/780436546.db2.gz GAXCYHNNJJJHEC-RKDXNWHRSA-N 0 3 291.373 -1.467 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O ZINC001225501149 780437857 /nfs/dbraw/zinc/43/78/57/780437857.db2.gz NFZDSTGSUGPPIG-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001225491975 780438162 /nfs/dbraw/zinc/43/81/62/780438162.db2.gz GQRHWXUAEUMNNR-HTQZYQBOSA-N 0 3 299.331 -1.926 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CC(N)=O ZINC001225508200 780438372 /nfs/dbraw/zinc/43/83/72/780438372.db2.gz DMGWNGDSHBMGLT-HTQZYQBOSA-N 0 3 256.306 -1.636 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)NC(N)=O ZINC001225869218 780440224 /nfs/dbraw/zinc/44/02/24/780440224.db2.gz NILSUEYRKLPTEY-IVZWLZJFSA-N 0 3 299.375 -1.194 20 0 CAADHN NC(=O)NCC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001225994870 780440711 /nfs/dbraw/zinc/44/07/11/780440711.db2.gz XNFIAEYNMPCQLC-UHFFFAOYSA-N 0 3 295.347 -1.473 20 0 CAADHN CC(=O)NCC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001225854360 780440775 /nfs/dbraw/zinc/44/07/75/780440775.db2.gz JVXXNUFEJUKBJL-UHFFFAOYSA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001225868752 780440929 /nfs/dbraw/zinc/44/09/29/780440929.db2.gz JDKVRYHUAXQRDU-DJLDLDEBSA-N 0 3 285.348 -1.455 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC001225969468 780441203 /nfs/dbraw/zinc/44/12/03/780441203.db2.gz KXFYQKJHBDWAPF-BBBLOLIVSA-N 0 3 298.343 -1.142 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC001225969472 780441238 /nfs/dbraw/zinc/44/12/38/780441238.db2.gz KXFYQKJHBDWAPF-OPRDCNLKSA-N 0 3 298.343 -1.142 20 0 CAADHN COC(=O)NCC(=O)NC1CCN(CCO)CC1 ZINC001226291817 780442391 /nfs/dbraw/zinc/44/23/91/780442391.db2.gz ONDOUKXAGUMOBB-UHFFFAOYSA-N 0 3 259.306 -1.085 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)NC ZINC001226628553 780443492 /nfs/dbraw/zinc/44/34/92/780443492.db2.gz RPRBJADNJOZSBT-NXEZZACHSA-N 0 3 299.375 -1.322 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001226635795 780443919 /nfs/dbraw/zinc/44/39/19/780443919.db2.gz YTTJLCQUMLRWMX-RKDXNWHRSA-N 0 3 285.348 -1.582 20 0 CAADHN O=C(NCC1(N[C@H]2CCCNC2=O)CC1)[C@@H]1CCNC1=O ZINC001277133224 780443934 /nfs/dbraw/zinc/44/39/34/780443934.db2.gz VUUJQRHJFAOIQZ-ZJUUUORDSA-N 0 3 294.355 -1.361 20 0 CAADHN NC(=O)CC(=O)NC1CCN(CCOCCO)CC1 ZINC001226732675 780445014 /nfs/dbraw/zinc/44/50/14/780445014.db2.gz WAFWWAHJTLRONL-UHFFFAOYSA-N 0 3 273.333 -1.549 20 0 CAADHN CNC(=O)CC(=O)NC1CCN(CCOCCO)CC1 ZINC001227031206 780446252 /nfs/dbraw/zinc/44/62/52/780446252.db2.gz XQLGNOUMAIKVTK-UHFFFAOYSA-N 0 3 287.360 -1.288 20 0 CAADHN CN(CC(=O)NC1CCN(CCO)CC1)S(C)(=O)=O ZINC001227645740 780447345 /nfs/dbraw/zinc/44/73/45/780447345.db2.gz YKRPVPAHRSPGKW-UHFFFAOYSA-N 0 3 293.389 -1.549 20 0 CAADHN COCC(=O)NCCC(=O)NC1CCN(CCO)CC1 ZINC001227661912 780448031 /nfs/dbraw/zinc/44/80/31/780448031.db2.gz OVIQWELDFIILIE-UHFFFAOYSA-N 0 3 287.360 -1.288 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)NC1CCN(CCO)CC1 ZINC001227488567 780448125 /nfs/dbraw/zinc/44/81/25/780448125.db2.gz WPWCDLNEJCPYMZ-SNVBAGLBSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)NCC(=O)NC1CCN(CCO)CC1 ZINC001227669320 780448221 /nfs/dbraw/zinc/44/82/21/780448221.db2.gz QICPEJQJGBZACB-UHFFFAOYSA-N 0 3 258.322 -1.512 20 0 CAADHN COCC(=O)N(C)CC(=O)NC1CCN(CCO)CC1 ZINC001227653420 780448395 /nfs/dbraw/zinc/44/83/95/780448395.db2.gz KNZHCMSHKJPHLY-UHFFFAOYSA-N 0 3 287.360 -1.336 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC001227934453 780449674 /nfs/dbraw/zinc/44/96/74/780449674.db2.gz XLIHHSUCYJDGLB-GMTAPVOTSA-N 0 3 296.371 -1.115 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228319304 780450679 /nfs/dbraw/zinc/45/06/79/780450679.db2.gz AEZKFTPVIMULMA-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(NCC(F)F)C(=O)NC1CCN(CCO)CC1 ZINC001228123966 780450719 /nfs/dbraw/zinc/45/07/19/780450719.db2.gz NSIKVAFOQUGYLF-UHFFFAOYSA-N 0 3 279.287 -1.059 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C1(C(N)=O)CC1 ZINC001228313352 780450774 /nfs/dbraw/zinc/45/07/74/780450774.db2.gz ZFUJEALODXSTNA-RKDXNWHRSA-N 0 3 282.344 -1.246 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228278018 780450810 /nfs/dbraw/zinc/45/08/10/780450810.db2.gz JZZXJZQKRFZZMK-HTQZYQBOSA-N 0 3 299.331 -2.056 20 0 CAADHN C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O)C(=O)NC(N)=O ZINC001228295156 780450834 /nfs/dbraw/zinc/45/08/34/780450834.db2.gz DHQDJKBPNBPZNN-BWZBUEFSSA-N 0 3 299.331 -1.928 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228279062 780451057 /nfs/dbraw/zinc/45/10/57/780451057.db2.gz ZXIDJDZUGJQAMH-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN O=C(NC1CCN(CCOCCO)CC1)[C@@H]1CCNC1=O ZINC001228588236 780451986 /nfs/dbraw/zinc/45/19/86/780451986.db2.gz BYIZVONPSCVCBP-GFCCVEGCSA-N 0 3 299.371 -1.288 20 0 CAADHN Cn1nnc(C(=O)NC2CCN(CCOCCO)CC2)n1 ZINC001228670708 780452142 /nfs/dbraw/zinc/45/21/42/780452142.db2.gz UFRLBQUNRUHUSK-UHFFFAOYSA-N 0 3 298.347 -1.587 20 0 CAADHN NC(=O)C1(C(=O)NC2CCN(CCO)CC2)CC1 ZINC001228962568 780453422 /nfs/dbraw/zinc/45/34/22/780453422.db2.gz IOYIDPILLPXOKI-UHFFFAOYSA-N 0 3 255.318 -1.175 20 0 CAADHN Cn1nnnc1NC(=O)C12CC(NCc3cn[nH]n3)(C1)C2 ZINC001277375290 780454815 /nfs/dbraw/zinc/45/48/15/780454815.db2.gz JLVXCIUFRUKVPX-UHFFFAOYSA-N 0 3 289.303 -1.021 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CCNC(N)=O ZINC001230093933 780455864 /nfs/dbraw/zinc/45/58/64/780455864.db2.gz DOJMSWOAMHKGMK-RKDXNWHRSA-N 0 3 285.348 -1.453 20 0 CAADHN CNS(=O)(=O)CC(=O)NC1CCN(CCO)CC1 ZINC001230288412 780456683 /nfs/dbraw/zinc/45/66/83/780456683.db2.gz PUPMJFJBAUDZKU-UHFFFAOYSA-N 0 3 279.362 -1.892 20 0 CAADHN NC(=O)NCCC(=O)NC1CCN(CCO)CC1 ZINC001230221950 780456735 /nfs/dbraw/zinc/45/67/35/780456735.db2.gz OOEJFVSMXQRNTA-UHFFFAOYSA-N 0 3 258.322 -1.382 20 0 CAADHN O=C(Cn1cncn1)NC1CCN(CCOCCO)CC1 ZINC001230190421 780457089 /nfs/dbraw/zinc/45/70/89/780457089.db2.gz YTQLOUHAGFWGHG-UHFFFAOYSA-N 0 3 297.359 -1.132 20 0 CAADHN CCS(=O)(=O)N1CCC(NS(=O)(=O)CCN)CC1 ZINC000722217388 780489898 /nfs/dbraw/zinc/48/98/98/780489898.db2.gz ZIGNCUCALJCJHF-UHFFFAOYSA-N 0 3 299.418 -1.321 20 0 CAADHN CC(=O)NCC(=O)NCCCN(C)[C@H]1CCCNC1=O ZINC001231269128 780464143 /nfs/dbraw/zinc/46/41/43/780464143.db2.gz NYDFGQZOMOLNQY-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCNC(=O)CNC(C)=O ZINC001231278080 780465451 /nfs/dbraw/zinc/46/54/51/780465451.db2.gz BCYFZTFHXGDGGQ-SNVBAGLBSA-N 0 3 272.349 -1.176 20 0 CAADHN Cn1cc(CN2CCN(CCCO)CC2)c(=O)n(C)c1=O ZINC001231768804 780468651 /nfs/dbraw/zinc/46/86/51/780468651.db2.gz BXSNBDMJAIOZRW-UHFFFAOYSA-N 0 3 296.371 -1.416 20 0 CAADHN CN1C[C@@H]2C[C@H]1CN2Cc1cn(C)c(=O)n(C)c1=O ZINC001231770038 780468968 /nfs/dbraw/zinc/46/89/68/780468968.db2.gz BPAJGTROVVGWTA-QWRGUYRKSA-N 0 3 264.329 -1.028 20 0 CAADHN Cn1cc(CN2CC[C@](C)(CO)[C@@H](O)C2)c(=O)n(C)c1=O ZINC001231767721 780469226 /nfs/dbraw/zinc/46/92/26/780469226.db2.gz YKDJHHSLVFLOBT-SMDDNHRTSA-N 0 3 297.355 -1.351 20 0 CAADHN Cn1cc(CN2CC[C@@H](O)[C@@H](CO)C2)c(=O)n(C)c1=O ZINC001231767640 780469253 /nfs/dbraw/zinc/46/92/53/780469253.db2.gz XNARFCDCRRBLRT-GHMZBOCLSA-N 0 3 283.328 -1.741 20 0 CAADHN Cn1cc(CN2CC[C@H](O)[C@@H](CO)C2)c(=O)n(C)c1=O ZINC001231767642 780469473 /nfs/dbraw/zinc/46/94/73/780469473.db2.gz XNARFCDCRRBLRT-MNOVXSKESA-N 0 3 283.328 -1.741 20 0 CAADHN Cn1cc(CN2CC[C@H](O)[C@](C)(CO)C2)c(=O)n(C)c1=O ZINC001231766636 780469487 /nfs/dbraw/zinc/46/94/87/780469487.db2.gz CCYXXXLVQOPLMN-FZMZJTMJSA-N 0 3 297.355 -1.351 20 0 CAADHN Cn1cc(CN2CCN3CC[C@H]3C2)c(=O)n(C)c1=O ZINC001231771524 780469578 /nfs/dbraw/zinc/46/95/78/780469578.db2.gz WMFPRWDAKPTSDG-NSHDSACASA-N 0 3 264.329 -1.026 20 0 CAADHN CN1CCC2(CN(Cc3cn(C)c(=O)n(C)c3=O)C2)C1=O ZINC001231773373 780470056 /nfs/dbraw/zinc/47/00/56/780470056.db2.gz YYUQWRVCKXJLMX-UHFFFAOYSA-N 0 3 292.339 -1.252 20 0 CAADHN COCCS(=O)(=O)[N-][C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238334142 780516895 /nfs/dbraw/zinc/51/68/95/780516895.db2.gz XJTIWAGCPYEZGB-IONNQARKSA-N 0 3 263.319 -1.870 20 0 CAADHN C[C@H](CN(C)C(=O)CC(N)=O)NCc1nc(=O)n(C)[nH]1 ZINC001277780144 780472000 /nfs/dbraw/zinc/47/20/00/780472000.db2.gz BNUVBMFGEIWGDP-SSDOTTSWSA-N 0 3 284.320 -2.080 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O ZINC001277799743 780473490 /nfs/dbraw/zinc/47/34/90/780473490.db2.gz AVMGCMKHZCIEIE-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)cn1)NCC(N)=O ZINC001277793810 780473898 /nfs/dbraw/zinc/47/38/98/780473898.db2.gz VXGPDOACALVXAZ-MRVPVSSYSA-N 0 3 253.306 -1.045 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnnn1C)NCC(N)=O ZINC001277809619 780474642 /nfs/dbraw/zinc/47/46/42/780474642.db2.gz IGTXQIKKXJHYLQ-SSDOTTSWSA-N 0 3 254.294 -1.650 20 0 CAADHN CN(CCCNC(=O)CNC(N)=O)[C@@H]1CCCN(C)C1=O ZINC001233714246 780475098 /nfs/dbraw/zinc/47/50/98/780475098.db2.gz XPXFIQCUQRGERB-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCNC(=O)Cn1cnnn1 ZINC001233751187 780475531 /nfs/dbraw/zinc/47/55/31/780475531.db2.gz PPMRTCTVEMPZRC-SECBINFHSA-N 0 3 283.336 -1.625 20 0 CAADHN C[C@H](CN(C)C(=O)c1ncn(C)n1)NCC(N)=O ZINC001277811143 780477053 /nfs/dbraw/zinc/47/70/53/780477053.db2.gz QKRUFXSFXUJCPV-SSDOTTSWSA-N 0 3 254.294 -1.650 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@H]1CNCC(=O)NCC1CC1 ZINC001277830111 780479975 /nfs/dbraw/zinc/47/99/75/780479975.db2.gz AQCOYKHFWOTWCV-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)NCCC(=O)N1CCC(O)(CNCCF)CC1 ZINC001281642482 780480310 /nfs/dbraw/zinc/48/03/10/780480310.db2.gz JNHIGWIOTSDAOV-UHFFFAOYSA-N 0 3 290.339 -1.043 20 0 CAADHN NC(=O)C([N-]S(=O)(=O)CC1CC[NH2+]CC1)C(N)=O ZINC000722136175 780487304 /nfs/dbraw/zinc/48/73/04/780487304.db2.gz SAUFYXAQSOYOSI-UHFFFAOYSA-N 0 3 278.334 -2.755 20 0 CAADHN CC[C@@H](N[C@H](C)CN(C)C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001277920886 780489265 /nfs/dbraw/zinc/48/92/65/780489265.db2.gz BVTOMURKVDDFQB-RKDXNWHRSA-N 0 3 284.360 -1.048 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC001277932699 780490206 /nfs/dbraw/zinc/49/02/06/780490206.db2.gz LIRPPZKNYCLHOZ-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]1CNCC(=O)N1CCCC1 ZINC001277932906 780490900 /nfs/dbraw/zinc/49/09/00/780490900.db2.gz PURNPZIAVLJCAG-SNVBAGLBSA-N 0 3 282.344 -1.325 20 0 CAADHN CNC(=O)CN1CCC(NS(=O)(=O)CCN)CC1 ZINC000722221971 780491927 /nfs/dbraw/zinc/49/19/27/780491927.db2.gz KTNDGMBHEKLHPP-UHFFFAOYSA-N 0 3 278.378 -1.925 20 0 CAADHN CC(=O)N1CC(=O)NC[C@@]12CCN(CCCO)C2 ZINC001235624986 780493479 /nfs/dbraw/zinc/49/34/79/780493479.db2.gz ORNUAOQCCSARSC-GFCCVEGCSA-N 0 3 255.318 -1.208 20 0 CAADHN C[C@H](CN(C)C(=O)c1nc[n-]n1)[NH2+][C@@H](C)C(N)=O ZINC001277968512 780493858 /nfs/dbraw/zinc/49/38/58/780493858.db2.gz INLWCRSGGWLKMK-RQJHMYQMSA-N 0 3 254.294 -1.271 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1cnon1 ZINC001277969655 780494009 /nfs/dbraw/zinc/49/40/09/780494009.db2.gz VNVCBUJHFDJBFV-SSDOTTSWSA-N 0 3 255.278 -1.134 20 0 CAADHN COC(=O)C[C@@H]1CN(S(=O)(=O)CCN)CCO1 ZINC000722257948 780494415 /nfs/dbraw/zinc/49/44/15/780494415.db2.gz XCBUBKNMEHOHMD-MRVPVSSYSA-N 0 3 266.319 -1.461 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCNC(=O)[C@H]1CCC(=O)N1 ZINC001235755845 780494463 /nfs/dbraw/zinc/49/44/63/780494463.db2.gz OUMAXORLJNGBKD-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN COC(=O)[C@@H]1COCCN1S(=O)(=O)CCN ZINC000722250051 780494599 /nfs/dbraw/zinc/49/45/99/780494599.db2.gz ZJBKIZRNBZVGFI-ZETCQYMHSA-N 0 3 252.292 -1.851 20 0 CAADHN COC(=O)[C@@H]1CNCCN1Cc1cn(C)c(=O)n(C)c1=O ZINC001236057034 780495405 /nfs/dbraw/zinc/49/54/05/780495405.db2.gz XKWVMWZYQFLETH-JTQLQIEISA-N 0 3 296.327 -1.969 20 0 CAADHN CN(C)C(=O)CN1CC2(C1)CCN(CC(N)=O)CC2 ZINC001277981553 780496518 /nfs/dbraw/zinc/49/65/18/780496518.db2.gz LFBVTRWDCYGWMK-UHFFFAOYSA-N 0 3 268.361 -1.042 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)c1ccc(=O)[nH]n1 ZINC001278042067 780500341 /nfs/dbraw/zinc/50/03/41/780500341.db2.gz WZQWEYSPXFRGFG-VIFPVBQESA-N 0 3 284.316 -1.101 20 0 CAADHN CCCC(=O)NC[C@@H](CO)NCCN1C(=O)CNC1=O ZINC001278041431 780500866 /nfs/dbraw/zinc/50/08/66/780500866.db2.gz NHELFXXJXIHTOQ-VIFPVBQESA-N 0 3 286.332 -1.595 20 0 CAADHN COC[C@@H](O)CN[C@@H](CO)CNC(=O)C(=O)C(C)(C)C ZINC001278054810 780501527 /nfs/dbraw/zinc/50/15/27/780501527.db2.gz WJCZQRWWVXAHJP-ZJUUUORDSA-N 0 3 290.360 -1.324 20 0 CAADHN COCCN[C@H](CO)CNC(=O)CS(C)(=O)=O ZINC001278054641 780502298 /nfs/dbraw/zinc/50/22/98/780502298.db2.gz VFGIDRRFAYTJMK-QMMMGPOBSA-N 0 3 268.335 -2.256 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cnns1 ZINC001278048625 780502400 /nfs/dbraw/zinc/50/24/00/780502400.db2.gz RKKCYJBQMCLIPV-SSDOTTSWSA-N 0 3 260.319 -1.135 20 0 CAADHN COCCN[C@H](CO)CNC(=O)Cc1nnc(C)o1 ZINC001278071252 780502863 /nfs/dbraw/zinc/50/28/63/780502863.db2.gz MXAXOQZESAQUQS-VIFPVBQESA-N 0 3 272.305 -1.366 20 0 CAADHN O=C(CCc1nnc[nH]1)NC[C@@H](CO)NCCF ZINC001278061775 780503363 /nfs/dbraw/zinc/50/33/63/780503363.db2.gz NYFUXNYGBMVJPT-QMMMGPOBSA-N 0 3 259.285 -1.227 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1nnn(C)c1C ZINC001278062297 780503398 /nfs/dbraw/zinc/50/33/98/780503398.db2.gz RMFXQVGAHXXWNQ-VIFPVBQESA-N 0 3 271.321 -1.550 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)Cc1nnc(C)o1 ZINC001278071251 780503866 /nfs/dbraw/zinc/50/38/66/780503866.db2.gz MXAXOQZESAQUQS-SECBINFHSA-N 0 3 272.305 -1.366 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cnc(N(C)C)cn1 ZINC001278078357 780504872 /nfs/dbraw/zinc/50/48/72/780504872.db2.gz VLSUZCIHGGDBFR-JTQLQIEISA-N 0 3 297.359 -1.131 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cnc(N(C)C)cn1 ZINC001278078359 780504894 /nfs/dbraw/zinc/50/48/94/780504894.db2.gz VLSUZCIHGGDBFR-SNVBAGLBSA-N 0 3 297.359 -1.131 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001278113116 780506471 /nfs/dbraw/zinc/50/64/71/780506471.db2.gz RSFKDENEDJKZAI-WDEREUQCSA-N 0 3 287.360 -1.242 20 0 CAADHN CC(C)=CCN[C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001278136909 780509564 /nfs/dbraw/zinc/50/95/64/780509564.db2.gz BLIRCBMJXHTCMU-VIFPVBQESA-N 0 3 268.321 -1.143 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001278147049 780509753 /nfs/dbraw/zinc/50/97/53/780509753.db2.gz JUHRZEOVBVFDEM-MFKMUULPSA-N 0 3 287.360 -1.242 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)[C@]1(C)CCC(=O)N1 ZINC001278147048 780510281 /nfs/dbraw/zinc/51/02/81/780510281.db2.gz JUHRZEOVBVFDEM-GWCFXTLKSA-N 0 3 287.360 -1.242 20 0 CAADHN COC(=O)CS(=O)(=O)[N-][C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238329148 780516866 /nfs/dbraw/zinc/51/68/66/780516866.db2.gz JHTSDOFXAYAXPC-IMTBSYHQSA-N 0 3 277.302 -2.343 20 0 CAADHN Cc1oncc1S(=O)(=O)[N-][C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238334749 780516915 /nfs/dbraw/zinc/51/69/15/780516915.db2.gz ZOOCCIQIPDSSSC-WPRPVWTQSA-N 0 3 286.313 -1.161 20 0 CAADHN COC(=O)CN1CCC(NS(=O)(=O)CCN)CC1 ZINC001238378705 780517054 /nfs/dbraw/zinc/51/70/54/780517054.db2.gz KTUNTDZPDWSNRH-UHFFFAOYSA-N 0 3 279.362 -1.498 20 0 CAADHN COC(=O)CS(=O)(=O)[N-][C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238329154 780517155 /nfs/dbraw/zinc/51/71/55/780517155.db2.gz JHTSDOFXAYAXPC-RCOVLWMOSA-N 0 3 277.302 -2.343 20 0 CAADHN CCOCCS(=O)(=O)[N-][C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238333748 780517255 /nfs/dbraw/zinc/51/72/55/780517255.db2.gz WWIOAUNSBLJYPP-PSASIEDQSA-N 0 3 277.346 -1.480 20 0 CAADHN O=C1C[C@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)CCCF)N1 ZINC001238328318 780517310 /nfs/dbraw/zinc/51/73/10/780517310.db2.gz HWHXGBKEQOHICY-VXNVDRBHSA-N 0 3 265.310 -1.157 20 0 CAADHN O=C1C[C@@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)CCCF)N1 ZINC001238328316 780517337 /nfs/dbraw/zinc/51/73/37/780517337.db2.gz HWHXGBKEQOHICY-IONNQARKSA-N 0 3 265.310 -1.157 20 0 CAADHN O=C1C[C@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)CC2CC2)N1 ZINC001238330769 780517897 /nfs/dbraw/zinc/51/78/97/780517897.db2.gz LRJXMSSMIYJXLH-PSASIEDQSA-N 0 3 259.331 -1.106 20 0 CAADHN COC(=O)CCS(=O)(=O)[N-][C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238333266 780517969 /nfs/dbraw/zinc/51/79/69/780517969.db2.gz VETDKJPFIFBKRU-GMSGAONNSA-N 0 3 291.329 -1.953 20 0 CAADHN CC(=O)N[C@@H](CCCCNS(=O)(=O)CCN)C(N)=O ZINC001238594428 780520366 /nfs/dbraw/zinc/52/03/66/780520366.db2.gz FJFPPLVMPFTOJX-VIFPVBQESA-N 0 3 294.377 -1.975 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)[N-][C@H]1C[NH2+]C[C@H]1CO ZINC001238640145 780520401 /nfs/dbraw/zinc/52/04/01/780520401.db2.gz JBPRSQNKGYZBNF-BQBZGAKWSA-N 0 3 272.348 -2.512 20 0 CAADHN O=C1CCNC[C@@H]1[N-]S(=O)(=O)C1CC[NH2+]CC1 ZINC001238627020 780520509 /nfs/dbraw/zinc/52/05/09/780520509.db2.gz JLWFBJOUIHJKDK-VIFPVBQESA-N 0 3 261.347 -1.411 20 0 CAADHN NCCS(=O)(=O)NC1CN(c2ncccn2)C1 ZINC001238596253 780520619 /nfs/dbraw/zinc/52/06/19/780520619.db2.gz UDODQHASNPJACA-UHFFFAOYSA-N 0 3 257.319 -1.457 20 0 CAADHN NCCS(=O)(=O)N[C@@H]1CCN(c2ccncn2)C1 ZINC001238813864 780522810 /nfs/dbraw/zinc/52/28/10/780522810.db2.gz WXODGOCOYRXRSI-SECBINFHSA-N 0 3 271.346 -1.067 20 0 CAADHN NCCS(=O)(=O)NCCN1CCS(=O)(=O)CC1 ZINC001238732330 780522973 /nfs/dbraw/zinc/52/29/73/780522973.db2.gz DVQOYXGAUHWQQR-UHFFFAOYSA-N 0 3 285.391 -2.405 20 0 CAADHN CCOC(=O)C1=C(NS(=O)(=O)N(C)C)CNC1 ZINC001238780984 780523084 /nfs/dbraw/zinc/52/30/84/780523084.db2.gz MKASEXMKEWUSAF-UHFFFAOYSA-N 0 3 263.319 -1.197 20 0 CAADHN CNC(=O)N1CCC(NS(=O)(=O)CCN)CC1 ZINC001238807186 780523137 /nfs/dbraw/zinc/52/31/37/780523137.db2.gz DMULDOBRWFPNON-UHFFFAOYSA-N 0 3 264.351 -1.332 20 0 CAADHN CCOC(=O)C1([N-]S(=O)(=O)CC[NH3+])CNC1 ZINC001238785540 780523163 /nfs/dbraw/zinc/52/31/63/780523163.db2.gz HHVJTIUKQUHCSU-UHFFFAOYSA-N 0 3 251.308 -2.230 20 0 CAADHN COC(=O)CCS(=O)(=O)NCCCC[C@H](N)C(N)=O ZINC001238835065 780523286 /nfs/dbraw/zinc/52/32/86/780523286.db2.gz AVTHMKKHGBYTQR-QMMMGPOBSA-N 0 3 295.361 -1.548 20 0 CAADHN NCCS(=O)(=O)NCCOCCN1C(=O)C=CC1=O ZINC001238799288 780523517 /nfs/dbraw/zinc/52/35/17/780523517.db2.gz AIZAQVSUNUCAKP-UHFFFAOYSA-N 0 3 291.329 -2.194 20 0 CAADHN NC(=O)C(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CCCC1 ZINC001278268653 780523557 /nfs/dbraw/zinc/52/35/57/780523557.db2.gz XNXNJBZKGMGMNC-NXEZZACHSA-N 0 3 282.344 -1.375 20 0 CAADHN COC(=O)CC1(NS(=O)(=O)CCN)CCOCC1 ZINC001238720284 780523568 /nfs/dbraw/zinc/52/35/68/780523568.db2.gz SDPKZHGVUZRDPV-UHFFFAOYSA-N 0 3 280.346 -1.023 20 0 CAADHN COC(=O)C[C@@H]1CNCCN1S(=O)(=O)CCN ZINC001239095293 780529700 /nfs/dbraw/zinc/52/97/00/780529700.db2.gz UYYLPLKLBVYPBW-MRVPVSSYSA-N 0 3 265.335 -1.888 20 0 CAADHN CCNC(=O)CO[C@H]1CCCN(S(=O)(=O)CCN)C1 ZINC001239101825 780529766 /nfs/dbraw/zinc/52/97/66/780529766.db2.gz VPJGUOYRSOCSOW-JTQLQIEISA-N 0 3 293.389 -1.108 20 0 CAADHN COC(=O)[C@H]1COCCC12CN(S(=O)(=O)CCN)C2 ZINC001239108016 780531437 /nfs/dbraw/zinc/53/14/37/780531437.db2.gz SVSXPFOWJAMDSO-SECBINFHSA-N 0 3 292.357 -1.214 20 0 CAADHN COC(=O)[C@@H]1COCCC12CN(S(=O)(=O)CCN)C2 ZINC001239108018 780531575 /nfs/dbraw/zinc/53/15/75/780531575.db2.gz SVSXPFOWJAMDSO-VIFPVBQESA-N 0 3 292.357 -1.214 20 0 CAADHN CCc1nnc2n1CCN(S(=O)(=O)CCN)C2 ZINC001239111004 780531682 /nfs/dbraw/zinc/53/16/82/780531682.db2.gz KNTAHFMYXQYOQQ-UHFFFAOYSA-N 0 3 259.335 -1.055 20 0 CAADHN COC(=O)CO[C@H]1CCN(S(=O)(=O)CCN)C1 ZINC001239174334 780534355 /nfs/dbraw/zinc/53/43/55/780534355.db2.gz HYWMXFIESMGIPW-QMMMGPOBSA-N 0 3 266.319 -1.461 20 0 CAADHN CCOC(=O)CNC(=O)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239297420 780534311 /nfs/dbraw/zinc/53/43/11/780534311.db2.gz DISRRKLOFGCQII-JGVFFNPUSA-N 0 3 273.289 -1.309 20 0 CAADHN COC(=O)CCNC(=S)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239451588 780536870 /nfs/dbraw/zinc/53/68/70/780536870.db2.gz KYRSLTRETFNORI-SFYZADRCSA-N 0 3 289.357 -1.144 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)COCCOC)C1 ZINC001278354266 780537034 /nfs/dbraw/zinc/53/70/34/780537034.db2.gz AXRPMBZTMWBXNR-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN COC(=O)CCNC(=S)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239451589 780537273 /nfs/dbraw/zinc/53/72/73/780537273.db2.gz KYRSLTRETFNORI-YUMQZZPRSA-N 0 3 289.357 -1.144 20 0 CAADHN COCC(=O)N1C[C@@H](NCCNS(C)(=O)=O)C[C@H]1C ZINC001278335517 780537646 /nfs/dbraw/zinc/53/76/46/780537646.db2.gz NTTGXTBJJNDZSD-ZJUUUORDSA-N 0 3 293.389 -1.239 20 0 CAADHN CCOC(=O)CNC(=S)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239452277 780537744 /nfs/dbraw/zinc/53/77/44/780537744.db2.gz PEPYIKOWYXVRRV-SFYZADRCSA-N 0 3 289.357 -1.144 20 0 CAADHN COCC(=O)N1C[C@@H](NCCNS(C)(=O)=O)C[C@@H]1C ZINC001278335515 780537812 /nfs/dbraw/zinc/53/78/12/780537812.db2.gz NTTGXTBJJNDZSD-UWVGGRQHSA-N 0 3 293.389 -1.239 20 0 CAADHN CCCOC[C@@H](O)CN[C@H]1CCS(=O)(=O)C12CNC2 ZINC001245984100 780539255 /nfs/dbraw/zinc/53/92/55/780539255.db2.gz HZLRVZHGCQCCLJ-QWRGUYRKSA-N 0 3 292.401 -1.107 20 0 CAADHN COC(=O)[C@@H]1CNCCN1C[C@@H](O)CN1CCOCC1 ZINC001246046880 780541664 /nfs/dbraw/zinc/54/16/64/780541664.db2.gz ANDGKHDJDXRQCA-RYUDHWBXSA-N 0 3 287.360 -1.874 20 0 CAADHN COC(=O)[C@H](CN)N[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246080447 780542621 /nfs/dbraw/zinc/54/26/21/780542621.db2.gz GNIWAXAWLQXJNP-CIUDSAMLSA-N 0 3 259.306 -1.630 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N[C@H]2CC[C@@H](C(=O)OC)NC2)CN1 ZINC001246184803 780546772 /nfs/dbraw/zinc/54/67/72/780546772.db2.gz OHAIJZQXWDEZGQ-NAKRPEOUSA-N 0 3 285.344 -1.227 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](NCC(=O)N2CCOCC2)CN1 ZINC001246173831 780547188 /nfs/dbraw/zinc/54/71/88/780547188.db2.gz MVIDLQCTEVJUSI-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCOCCOCCO)CN1 ZINC001246207783 780548414 /nfs/dbraw/zinc/54/84/14/780548414.db2.gz BRFYRZCAJXCYCV-QWRGUYRKSA-N 0 3 276.333 -1.495 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](NC(CO)(CO)CO)CN1 ZINC001246212636 780548703 /nfs/dbraw/zinc/54/87/03/780548703.db2.gz MTWIKMMFPPZVSF-IUCAKERBSA-N 0 3 262.306 -2.415 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC[C@H]2CNC(=O)CO2)CN1 ZINC001246254202 780549394 /nfs/dbraw/zinc/54/93/94/780549394.db2.gz FWWZYHKFHKXKKS-VGMNWLOBSA-N 0 3 257.290 -2.006 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](NC2(C(N)=O)CCOCC2)CN1 ZINC001246258117 780549983 /nfs/dbraw/zinc/54/99/83/780549983.db2.gz WERIGAHYINHIRB-UWVGGRQHSA-N 0 3 285.344 -1.096 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NC[C@H]2CCS(=O)(=O)C2)CN1 ZINC001246235279 780549993 /nfs/dbraw/zinc/54/99/93/780549993.db2.gz QWGGEXCYRQKMGG-UTLUCORTSA-N 0 3 276.358 -1.086 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NC[C@H]2CNC(=O)CO2)CN1 ZINC001246254195 780550148 /nfs/dbraw/zinc/55/01/48/780550148.db2.gz FWWZYHKFHKXKKS-CIUDSAMLSA-N 0 3 257.290 -2.006 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC[C@H]2CCS(=O)(=O)C2)CN1 ZINC001246235272 780550244 /nfs/dbraw/zinc/55/02/44/780550244.db2.gz QWGGEXCYRQKMGG-BBBLOLIVSA-N 0 3 276.358 -1.086 20 0 CAADHN COC(=O)[C@@H](N)CN[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246268027 780550554 /nfs/dbraw/zinc/55/05/54/780550554.db2.gz VULHATNBAMBXAP-CIUDSAMLSA-N 0 3 259.306 -1.630 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCN2CC[C@@H](O)C2)CN1 ZINC001246265274 780550730 /nfs/dbraw/zinc/55/07/30/780550730.db2.gz VFQHQDUDFGMISU-MXWKQRLJSA-N 0 3 257.334 -1.454 20 0 CAADHN CCOC[C@@H](O)CN[C@@H](C)C(=O)NCC(=O)OC ZINC001252047216 780581466 /nfs/dbraw/zinc/58/14/66/780581466.db2.gz IQJJIQDOCRTBIF-IUCAKERBSA-N 0 3 262.306 -1.349 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCN2CCNCC2=O)CN1 ZINC001246356290 780552492 /nfs/dbraw/zinc/55/24/92/780552492.db2.gz NFAXBAIVGDZIPA-UWVGGRQHSA-N 0 3 270.333 -2.089 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N[C@H]2CCN[C@H](C(=O)OC)C2)CN1 ZINC001246460922 780553269 /nfs/dbraw/zinc/55/32/69/780553269.db2.gz AQONEGZQPMCHLA-VLEAKVRGSA-N 0 3 285.344 -1.227 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@@]2(C)CCN(CCO)C2)C1=O ZINC001278443875 780553373 /nfs/dbraw/zinc/55/33/73/780553373.db2.gz JVPLUHMONPDTSF-ZDUSSCGKSA-N 0 3 298.343 -1.547 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@]2(C)CCN(CCO)C2)C1=O ZINC001278443874 780553428 /nfs/dbraw/zinc/55/34/28/780553428.db2.gz JVPLUHMONPDTSF-CYBMUJFWSA-N 0 3 298.343 -1.547 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N[C@H]2CCN[C@H](C(=O)OC)C2)CN1 ZINC001246460921 780553491 /nfs/dbraw/zinc/55/34/91/780553491.db2.gz AQONEGZQPMCHLA-NAKRPEOUSA-N 0 3 285.344 -1.227 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](NC2CN(C3COC3)C2)CN1 ZINC001246463765 780555351 /nfs/dbraw/zinc/55/53/51/780555351.db2.gz WRAIFEDDEKDIAH-CABZTGNLSA-N 0 3 269.345 -1.047 20 0 CAADHN COC(=O)[C@@H]1C[C@H](n2cnc(C[C@H](N)C(N)=O)c2)CN1 ZINC001246525711 780557131 /nfs/dbraw/zinc/55/71/31/780557131.db2.gz SAMMAHXOVYAQRB-GUBZILKMSA-N 0 3 281.316 -1.686 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CCNC[C@@H]2C(=O)OC)CN1 ZINC001246627788 780559669 /nfs/dbraw/zinc/55/96/69/780559669.db2.gz XKBCBRAGZXXDRO-KXUCPTDWSA-N 0 3 271.317 -1.663 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3NCCO[C@H]3C2)CN1 ZINC001246635466 780559779 /nfs/dbraw/zinc/55/97/79/780559779.db2.gz UWNQNJJQAYBSDQ-BJDJZHNGSA-N 0 3 269.345 -1.047 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3NCCO[C@H]3C2)CN1 ZINC001246635467 780559902 /nfs/dbraw/zinc/55/99/02/780559902.db2.gz UWNQNJJQAYBSDQ-RHYQMDGZSA-N 0 3 269.345 -1.047 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CCNC(=O)C23CNC3)CN1 ZINC001246637879 780560600 /nfs/dbraw/zinc/56/06/00/780560600.db2.gz QAFGZINNVPIOGI-BDAKNGLRSA-N 0 3 268.317 -2.336 20 0 CAADHN COC(=O)[C@H]1C[C@@H](N2CCNC[C@H]2C(=O)OC)CN1 ZINC001246857931 780563012 /nfs/dbraw/zinc/56/30/12/780563012.db2.gz XKBCBRAGZXXDRO-BBBLOLIVSA-N 0 3 271.317 -1.663 20 0 CAADHN COC(=O)[C@@H]1CN(C2CCS(=O)(=O)CC2)C[C@H]1N ZINC001246930576 780563864 /nfs/dbraw/zinc/56/38/64/780563864.db2.gz LHTDQSBELUNAAH-NXEZZACHSA-N 0 3 276.358 -1.004 20 0 CAADHN COC(=O)[C@H]1CN(C2CCS(=O)(=O)CC2)C[C@@H]1N ZINC001246930577 780564034 /nfs/dbraw/zinc/56/40/34/780564034.db2.gz LHTDQSBELUNAAH-UWVGGRQHSA-N 0 3 276.358 -1.004 20 0 CAADHN COC(=O)[C@H]1CN(C2CCS(=O)(=O)CC2)C[C@H]1N ZINC001246930578 780564946 /nfs/dbraw/zinc/56/49/46/780564946.db2.gz LHTDQSBELUNAAH-VHSXEESVSA-N 0 3 276.358 -1.004 20 0 CAADHN O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C[C@H]1C[C@H](O)C1)O3 ZINC001247008718 780566021 /nfs/dbraw/zinc/56/60/21/780566021.db2.gz KXEZSVIEAWLTNB-JCIQBVFBSA-N 0 3 288.369 -1.098 20 0 CAADHN CN1CCC2(CN(C[C@H](O)CN3CCOCC3)C2)C1=O ZINC001251025079 780570149 /nfs/dbraw/zinc/57/01/49/780570149.db2.gz ZKHYQFZXRMGYPI-GFCCVEGCSA-N 0 3 283.372 -1.156 20 0 CAADHN C[C@]1(CO)CN(C[C@@H](O)CN2CCOCC2)CC[C@@H]1O ZINC001251010491 780570164 /nfs/dbraw/zinc/57/01/64/780570164.db2.gz XDHCRWHFTSYTCU-MELADBBJSA-N 0 3 288.388 -1.255 20 0 CAADHN CN1CCN(C2CN(C[C@H](O)CN3CCOCC3)C2)CC1 ZINC001251022657 780570477 /nfs/dbraw/zinc/57/04/77/780570477.db2.gz FROBIHGJHORCMS-OAHLLOKOSA-N 0 3 298.431 -1.389 20 0 CAADHN NC(=O)C1(NC[C@H](O)CN2CCOCC2)CCOCC1 ZINC001251039499 780571414 /nfs/dbraw/zinc/57/14/14/780571414.db2.gz HCIQQNJSGINWGY-NSHDSACASA-N 0 3 287.360 -1.696 20 0 CAADHN CCC[C@H](NC[C@@H](O)CN1CCOCC1)C(N)=O ZINC001251039275 780571318 /nfs/dbraw/zinc/57/13/18/780571318.db2.gz ATAFCXCESMGDFF-MNOVXSKESA-N 0 3 259.350 -1.077 20 0 CAADHN NS(=O)(=O)CCNC[C@@H](O)CN1CCOCC1 ZINC001251035978 780571768 /nfs/dbraw/zinc/57/17/68/780571768.db2.gz UTBSZGWOCRETGH-SECBINFHSA-N 0 3 267.351 -2.442 20 0 CAADHN O=c1[nH][n-]cc1CCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251035139 780571823 /nfs/dbraw/zinc/57/18/23/780571823.db2.gz HFFARUFZYSFGSI-VXGBXAGGSA-N 0 3 284.360 -1.219 20 0 CAADHN CCC[C@H](NC[C@H](O)CN1CCOCC1)C(N)=O ZINC001251039280 780571881 /nfs/dbraw/zinc/57/18/81/780571881.db2.gz ATAFCXCESMGDFF-QWRGUYRKSA-N 0 3 259.350 -1.077 20 0 CAADHN O=c1[nH][n-]cc1CCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC001251035137 780571894 /nfs/dbraw/zinc/57/18/94/780571894.db2.gz HFFARUFZYSFGSI-NWDGAFQWSA-N 0 3 284.360 -1.219 20 0 CAADHN CCOC(=O)C1CCC(O)(CN[C@H](CO)C(N)=O)CC1 ZINC001251071520 780572561 /nfs/dbraw/zinc/57/25/61/780572561.db2.gz CMWUUYJRTMUZMI-RUETXSTFSA-N 0 3 288.344 -1.093 20 0 CAADHN CSCC[C@H](NC[C@@H](O)CN1CCOCC1)C(N)=O ZINC001251045047 780572620 /nfs/dbraw/zinc/57/26/20/780572620.db2.gz CLJJUKZTRFNWOG-MNOVXSKESA-N 0 3 291.417 -1.124 20 0 CAADHN O=C(CNC[C@@H](O)CN1CCOCC1)NC1CCC1 ZINC001251047135 780572781 /nfs/dbraw/zinc/57/27/81/780572781.db2.gz VPIJCUDLKXLUOI-GFCCVEGCSA-N 0 3 271.361 -1.062 20 0 CAADHN NC(=O)[C@H](Cc1c[nH]cn1)NC[C@@H](O)CN1CCOCC1 ZINC001251048968 780573053 /nfs/dbraw/zinc/57/30/53/780573053.db2.gz KROYJCRRWAERMA-NEPJUHHUSA-N 0 3 297.359 -1.911 20 0 CAADHN NC(=O)[C@H](Cc1cnc[nH]1)NC[C@@H](O)CN1CCOCC1 ZINC001251048968 780573065 /nfs/dbraw/zinc/57/30/65/780573065.db2.gz KROYJCRRWAERMA-NEPJUHHUSA-N 0 3 297.359 -1.911 20 0 CAADHN OC[C@@H](O)CN1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001252058152 780580476 /nfs/dbraw/zinc/58/04/76/780580476.db2.gz WIJNRZCCSNNYEO-AGIUHOORSA-N 0 3 294.355 -1.033 20 0 CAADHN CCOC[C@H](O)CN1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001252027269 780580749 /nfs/dbraw/zinc/58/07/49/780580749.db2.gz VAOLQDDMQDYSBO-TZMCWYRMSA-N 0 3 299.371 -1.193 20 0 CAADHN CCOC[C@@H](O)CN[C@@H](Cc1c[nH]cn1)C(N)=O ZINC001252052425 780580865 /nfs/dbraw/zinc/58/08/65/780580865.db2.gz LWPFRPCQEBNAPS-UWVGGRQHSA-N 0 3 256.306 -1.207 20 0 CAADHN CCOC[C@@H](O)CN[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C ZINC001252052578 780580899 /nfs/dbraw/zinc/58/08/99/780580899.db2.gz QPHCSTGTTVWHRA-DCAQKATOSA-N 0 3 289.376 -1.012 20 0 CAADHN CCOC[C@H](O)CN[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001252051051 780581151 /nfs/dbraw/zinc/58/11/51/780581151.db2.gz TYTLELJSELNCMW-MNOVXSKESA-N 0 3 289.376 -1.010 20 0 CAADHN COC(=O)[C@H]1C[C@H](C(=O)OC)CN(C[C@H](O)CO)C1 ZINC001252060422 780582258 /nfs/dbraw/zinc/58/22/58/780582258.db2.gz SJQGTTBYOQNSKW-GUBZILKMSA-N 0 3 275.301 -1.376 20 0 CAADHN COC(=O)[C@H](CNC[C@H](O)CO)NC(=O)OC(C)(C)C ZINC001252071435 780582680 /nfs/dbraw/zinc/58/26/80/780582680.db2.gz JQHOQTPLEDNMFX-IUCAKERBSA-N 0 3 292.332 -1.005 20 0 CAADHN CCCC[C@@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001252123670 780583607 /nfs/dbraw/zinc/58/36/07/780583607.db2.gz RJIUHDGQFFDFIT-SECBINFHSA-N 0 3 288.348 -2.155 20 0 CAADHN CCCC[C@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001252123676 780583682 /nfs/dbraw/zinc/58/36/82/780583682.db2.gz RJIUHDGQFFDFIT-VIFPVBQESA-N 0 3 288.348 -2.155 20 0 CAADHN COC(=O)CNC(=O)CNC[C@@H](O)COC(C)C ZINC001252695084 780589186 /nfs/dbraw/zinc/58/91/86/780589186.db2.gz QZCAEYWKWBJJIT-SECBINFHSA-N 0 3 262.306 -1.349 20 0 CAADHN C[C@H](NCC1(O)CCOCC1)C(=O)N[C@@H](C)C(N)=O ZINC001252980120 780590743 /nfs/dbraw/zinc/59/07/43/780590743.db2.gz ITYMQOCINOXQOH-IUCAKERBSA-N 0 3 273.333 -1.504 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)COC ZINC001278703947 780592007 /nfs/dbraw/zinc/59/20/07/780592007.db2.gz NIJPSEUHBZCNQD-RKDXNWHRSA-N 0 3 261.322 -1.824 20 0 CAADHN CC(C)(C)OC(=O)[C@@H](O)CNC[C@H]1CNC(=O)CO1 ZINC001253705169 780594632 /nfs/dbraw/zinc/59/46/32/780594632.db2.gz XFODBZISSNDPLK-IUCAKERBSA-N 0 3 274.317 -1.206 20 0 CAADHN CC(C)(C)OC(=O)[C@@H](O)CNC[C@@H]1CNC(=O)CO1 ZINC001253705166 780594654 /nfs/dbraw/zinc/59/46/54/780594654.db2.gz XFODBZISSNDPLK-BDAKNGLRSA-N 0 3 274.317 -1.206 20 0 CAADHN CN(C[C@H](O)CNCc1ccnn1C)C(=O)CC(N)=O ZINC001278737296 780594833 /nfs/dbraw/zinc/59/48/33/780594833.db2.gz KYGLIBWSNIFMNW-SNVBAGLBSA-N 0 3 283.332 -1.796 20 0 CAADHN CC(C)(C)OC(=O)[C@H](O)CNC[C@H]1CNC(=O)CO1 ZINC001253705167 780595016 /nfs/dbraw/zinc/59/50/16/780595016.db2.gz XFODBZISSNDPLK-DTWKUNHWSA-N 0 3 274.317 -1.206 20 0 CAADHN Cn1cc(CN2C[C@H](O)C[C@H](O)C2)c(=O)n(C)c1=O ZINC001254019631 780597112 /nfs/dbraw/zinc/59/71/12/780597112.db2.gz VVBTUVCCHZTIGC-AOOOYVTPSA-N 0 3 269.301 -1.989 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@H]1CCOC1 ZINC001278765929 780600954 /nfs/dbraw/zinc/60/09/54/780600954.db2.gz FJCDGOSJTYFKEU-CMPLNLGQSA-N 0 3 258.318 -1.432 20 0 CAADHN CCCOCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001278766918 780600966 /nfs/dbraw/zinc/60/09/66/780600966.db2.gz OPUNHECILVPYFA-LBPRGKRZSA-N 0 3 260.334 -1.042 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@@H]1CCOC1 ZINC001278765932 780601219 /nfs/dbraw/zinc/60/12/19/780601219.db2.gz FJCDGOSJTYFKEU-ZYHUDNBSSA-N 0 3 258.318 -1.432 20 0 CAADHN CS(=O)(=O)N(C1CNC1)[C@@H]1CCS(=O)(=O)C1 ZINC001254342147 780603743 /nfs/dbraw/zinc/60/37/43/780603743.db2.gz RJPTUWZJXPOLRT-SSDOTTSWSA-N 0 3 268.360 -1.593 20 0 CAADHN NC(=O)CNC(=O)CNC(=O)CN[C@@H]1CCCOC1 ZINC001254376560 780604220 /nfs/dbraw/zinc/60/42/20/780604220.db2.gz ZGRPFUIRQZVEHR-MRVPVSSYSA-N 0 3 272.305 -2.527 20 0 CAADHN NC(=O)CNC(=O)CNC(=O)CN[C@H]1CCCOC1 ZINC001254376566 780604349 /nfs/dbraw/zinc/60/43/49/780604349.db2.gz ZGRPFUIRQZVEHR-QMMMGPOBSA-N 0 3 272.305 -2.527 20 0 CAADHN C[C@@H](CNC(=O)C(=O)NCCN(C)C)S(N)(=O)=O ZINC001254438820 780604433 /nfs/dbraw/zinc/60/44/33/780604433.db2.gz OHPNPSRYQTZEEU-ZETCQYMHSA-N 0 3 280.350 -2.543 20 0 CAADHN CCOC(=O)CN1CCC(N[C@@H](CO)C(N)=O)CC1 ZINC001254395640 780604445 /nfs/dbraw/zinc/60/44/45/780604445.db2.gz SYNSMPRYCYPUQC-JTQLQIEISA-N 0 3 273.333 -1.550 20 0 CAADHN Cc1nc(CNC[C@H](O)CN(C)C(=O)C(N)=O)n[nH]1 ZINC001278799065 780606423 /nfs/dbraw/zinc/60/64/23/780606423.db2.gz ZSNBYWAPVJNMLB-ZETCQYMHSA-N 0 3 270.293 -2.493 20 0 CAADHN COCCOCCN1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001278799786 780606607 /nfs/dbraw/zinc/60/66/07/780606607.db2.gz GORNXLLJEYIUNO-GFCCVEGCSA-N 0 3 289.332 -2.312 20 0 CAADHN Cc1nc([C@H](C)NC[C@@H](O)CN(C)C(=O)C(N)=O)n[nH]1 ZINC001278797718 780606694 /nfs/dbraw/zinc/60/66/94/780606694.db2.gz LJZODMNBAXFRRK-POYBYMJQSA-N 0 3 284.320 -1.932 20 0 CAADHN C[C@]1(C(=O)NC[C@]2(O)CCN(CCO)C2)CCNC1=O ZINC001278805957 780607831 /nfs/dbraw/zinc/60/78/31/780607831.db2.gz TVPPUEZUSFPQNM-QWHCGFSZSA-N 0 3 285.344 -1.942 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@@H]1CCCN1C(N)=O ZINC001278839461 780611159 /nfs/dbraw/zinc/61/11/59/780611159.db2.gz PUUOABHFKAJHLB-UWVGGRQHSA-N 0 3 290.339 -1.092 20 0 CAADHN CN1CCC[C@@H](NCC(=O)NCC(=O)NCC(N)=O)C1 ZINC001255480023 780614990 /nfs/dbraw/zinc/61/49/90/780614990.db2.gz QNMMQQZFVKAGEM-SECBINFHSA-N 0 3 285.348 -2.612 20 0 CAADHN CN1CCC[C@@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001255471616 780615188 /nfs/dbraw/zinc/61/51/88/780615188.db2.gz BBLKQCUDSJJZEB-PAUJSFGCSA-N 0 3 276.333 -2.530 20 0 CAADHN CN1CCC[C@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001255471617 780615260 /nfs/dbraw/zinc/61/52/60/780615260.db2.gz BBLKQCUDSJJZEB-VQJPJQAJSA-N 0 3 276.333 -2.530 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCc2nnn(C)n2)C1 ZINC001256124016 780621451 /nfs/dbraw/zinc/62/14/51/780621451.db2.gz SLQXRFIXVGRIQN-JTQLQIEISA-N 0 3 269.309 -1.924 20 0 CAADHN CC[C@@H](C(=O)NCC1(O)CN(CCO)C1)N(C)C ZINC001278922857 780621646 /nfs/dbraw/zinc/62/16/46/780621646.db2.gz NVXDQDJTXSZBEG-JTQLQIEISA-N 0 3 259.350 -1.518 20 0 CAADHN C[C@H](CC(=O)N1CCOCC1)NS(=O)(=O)CCN ZINC001256320679 780622889 /nfs/dbraw/zinc/62/28/89/780622889.db2.gz UUTKXZVXGKXMTO-SECBINFHSA-N 0 3 279.362 -1.498 20 0 CAADHN C[C@H](Cc1ccncc1)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001256725395 780626046 /nfs/dbraw/zinc/62/60/46/780626046.db2.gz IYLLFYCHJCQFST-DZNNLUQLSA-N 0 3 298.339 -1.598 20 0 CAADHN C[C@@H]1CC(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@@H](C)O1 ZINC001257079388 780627016 /nfs/dbraw/zinc/62/70/16/780627016.db2.gz BYWVDKQBQNEKLV-XNHGXSHHSA-N 0 3 291.344 -1.668 20 0 CAADHN CC[C@@H](C)N[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001257434234 780629666 /nfs/dbraw/zinc/62/96/66/780629666.db2.gz XRCIGNOETGUBOL-NLMQRWQWSA-N 0 3 299.327 -1.044 20 0 CAADHN CSCC[C@@H](C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001258205016 780631780 /nfs/dbraw/zinc/63/17/80/780631780.db2.gz DZAYEMUJAZPSED-VRGHXPGPSA-N 0 3 281.374 -1.483 20 0 CAADHN C[C@H](Cc1ccco1)NCC(=O)NCC(=O)NCC(N)=O ZINC001258186155 780631857 /nfs/dbraw/zinc/63/18/57/780631857.db2.gz WXLFPRPCUZUFPX-SECBINFHSA-N 0 3 296.327 -1.482 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)C1CCN([C@H]2CCCNC2=O)CC1 ZINC001279097163 780633675 /nfs/dbraw/zinc/63/36/75/780633675.db2.gz MODBUQHVJMQQGA-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)N ZINC001261494297 780666511 /nfs/dbraw/zinc/66/65/11/780666511.db2.gz MCZJAIUNHJBADH-YUMQZZPRSA-N 0 3 256.306 -1.813 20 0 CAADHN COCCOC1CN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC001261339066 780663059 /nfs/dbraw/zinc/66/30/59/780663059.db2.gz WQSOGBGYVIYKGE-UHFFFAOYSA-N 0 3 287.360 -1.120 20 0 CAADHN Cn1cc([C@H](O)CNC(=O)C[C@H]2CNCCO2)cn1 ZINC001261493266 780666248 /nfs/dbraw/zinc/66/62/48/780666248.db2.gz QQKDFIRMYBFNPS-WDEREUQCSA-N 0 3 268.317 -1.052 20 0 CAADHN CC[C@@H](N)C(=O)NCCOCCS(C)(=O)=O ZINC001261493212 780666801 /nfs/dbraw/zinc/66/68/01/780666801.db2.gz OYSUVBVTGQLVNI-MRVPVSSYSA-N 0 3 252.336 -1.099 20 0 CAADHN O=C(NC[C@H]1CNCCO1)[C@@H]1CCS(=O)(=O)N1 ZINC001261527191 780669638 /nfs/dbraw/zinc/66/96/38/780669638.db2.gz JGIBBVHYPVFMJS-SFYZADRCSA-N 0 3 263.319 -2.217 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)NCc1cn(C)nn1 ZINC001261530089 780670533 /nfs/dbraw/zinc/67/05/33/780670533.db2.gz UQFRXGRDDVUEJN-UHFFFAOYSA-N 0 3 294.359 -1.015 20 0 CAADHN CCn1cc(CNC(=O)C(=O)N(C)CCN(C)C)nn1 ZINC001261606852 780673886 /nfs/dbraw/zinc/67/38/86/780673886.db2.gz ULAQWVOOPBTVDR-UHFFFAOYSA-N 0 3 282.348 -1.066 20 0 CAADHN COCCN(CCF)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC001261634561 780674774 /nfs/dbraw/zinc/67/47/74/780674774.db2.gz JFQZLTLJXIXVSB-SNVBAGLBSA-N 0 3 291.323 -1.465 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CCC1=O ZINC001261634476 780674858 /nfs/dbraw/zinc/67/48/58/780674858.db2.gz HUSJFIONEIZTSJ-SNVBAGLBSA-N 0 3 298.343 -2.218 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CCC(CO)(CO)C1 ZINC001261642759 780676219 /nfs/dbraw/zinc/67/62/19/780676219.db2.gz UGGYIEMLTVIPQM-LLVKDONJSA-N 0 3 261.318 -1.023 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CCOC2(CNC2)C1 ZINC001261647993 780676968 /nfs/dbraw/zinc/67/69/68/780676968.db2.gz OFTACTHNJBPYJS-UHFFFAOYSA-N 0 3 262.331 -1.378 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(C)C2=O)C1 ZINC001261696812 780678024 /nfs/dbraw/zinc/67/80/24/780678024.db2.gz XOEFRIXQCUGQFX-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)C1 ZINC001261696814 780678198 /nfs/dbraw/zinc/67/81/98/780678198.db2.gz XOEFRIXQCUGQFX-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCC(O)(CO)CC1)C1CC1 ZINC001261689867 780678295 /nfs/dbraw/zinc/67/82/95/780678295.db2.gz XEOCSORXSOYLBT-UHFFFAOYSA-N 0 3 299.371 -1.457 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001261742161 780681314 /nfs/dbraw/zinc/68/13/14/780681314.db2.gz MLRLIPRRVWTXAH-NXEZZACHSA-N 0 3 257.334 -1.059 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC001261824447 780688290 /nfs/dbraw/zinc/68/82/90/780688290.db2.gz YVESCOZNWYZZCX-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN COC(=O)COCC(=O)N(C)CCN(C)CCO ZINC001262184552 780703168 /nfs/dbraw/zinc/70/31/68/780703168.db2.gz KDDJVZPPHUTIMO-UHFFFAOYSA-N 0 3 262.306 -1.442 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CO)C[C@H](C)N1C[C@H](O)CO ZINC001262277988 780706465 /nfs/dbraw/zinc/70/64/65/780706465.db2.gz UBRDQRQQCZHSSY-USZNOCQGSA-N 0 3 262.350 -1.913 20 0 CAADHN CN(C[C@@H](O)C[C@@]1(O)CCOC1)[C@@H]1COC[C@H]1O ZINC001262305762 780707106 /nfs/dbraw/zinc/70/71/06/780707106.db2.gz UEPLJEYQTXQOFO-QCNOEVLYSA-N 0 3 261.318 -1.420 20 0 CAADHN O=S1(=O)NC[C@H]2CN(C[C@H]3CCOC3)CCN21 ZINC001262320354 780708112 /nfs/dbraw/zinc/70/81/12/780708112.db2.gz IIOLKRQJOYPFAD-ZJUUUORDSA-N 0 3 261.347 -1.143 20 0 CAADHN C[C@H](C(=O)NC(N)=O)N1CCN(C)CCN(C)CC1 ZINC001262331360 780708410 /nfs/dbraw/zinc/70/84/10/780708410.db2.gz BJVSHYHIQWWTTP-SNVBAGLBSA-N 0 3 271.365 -1.251 20 0 CAADHN C[C@H](O)[C@H](O)CN[C@@H]1C(=O)NCC12CCOCC2 ZINC001262319746 780708423 /nfs/dbraw/zinc/70/84/23/780708423.db2.gz PCNFOMTYNAKLIT-IVZWLZJFSA-N 0 3 258.318 -1.387 20 0 CAADHN O=S1(=O)NC[C@@H]2CN(C[C@@H]3CCOC3)CCN21 ZINC001262320353 780708749 /nfs/dbraw/zinc/70/87/49/780708749.db2.gz IIOLKRQJOYPFAD-VHSXEESVSA-N 0 3 261.347 -1.143 20 0 CAADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CO)CC1 ZINC001262365893 780709388 /nfs/dbraw/zinc/70/93/88/780709388.db2.gz OQIXURIKTCCNBJ-SNVBAGLBSA-N 0 3 255.318 -1.081 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CCOC[C@H]1CCO ZINC001262539663 780713824 /nfs/dbraw/zinc/71/38/24/780713824.db2.gz KKMYIJSFSOWOLM-LLVKDONJSA-N 0 3 287.360 -1.384 20 0 CAADHN COC[C@H](C)NC(=O)C(=O)N1CCNCCNCC1 ZINC001262548801 780714689 /nfs/dbraw/zinc/71/46/89/780714689.db2.gz BUXSYNPMGRTVCH-JTQLQIEISA-N 0 3 272.349 -1.841 20 0 CAADHN COC[C@H](NC(=O)[C@H]1CNCCN1C)C(=O)OC ZINC001263116279 780720836 /nfs/dbraw/zinc/72/08/36/780720836.db2.gz SWYMUEFRDCUKIM-DTWKUNHWSA-N 0 3 259.306 -1.806 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)[C@@H]1CSCC(=O)N1 ZINC001263128170 780720952 /nfs/dbraw/zinc/72/09/52/780720952.db2.gz GQJGNBLJYNXCQV-YUMQZZPRSA-N 0 3 259.331 -1.677 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H]1COC2(CNC2)C1 ZINC001263142029 780722123 /nfs/dbraw/zinc/72/21/23/780722123.db2.gz OOZUCFUTBCJGFP-VIFPVBQESA-N 0 3 268.317 -2.335 20 0 CAADHN O=C(C[C@H]1CCNC1=O)N[C@H]1COC2(CNC2)C1 ZINC001263156395 780722266 /nfs/dbraw/zinc/72/22/66/780722266.db2.gz VPKMTGBVQBIBSI-RKDXNWHRSA-N 0 3 253.302 -1.240 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)[C@@H]1CN(C)C(=O)CN1 ZINC001263166001 780722605 /nfs/dbraw/zinc/72/26/05/780722605.db2.gz RRKLSIANYLYQSM-ZJUUUORDSA-N 0 3 254.334 -1.373 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)N[C@@H]1COC2(CNC2)C1 ZINC001263156394 780722761 /nfs/dbraw/zinc/72/27/61/780722761.db2.gz VPKMTGBVQBIBSI-IUCAKERBSA-N 0 3 253.302 -1.240 20 0 CAADHN CCOC(=O)[C@@H]1CN(C(=O)[C@H](CN)OC)CCO1 ZINC001263142594 780722881 /nfs/dbraw/zinc/72/28/81/780722881.db2.gz FQLMSOGDNTUYHV-IUCAKERBSA-N 0 3 260.290 -1.249 20 0 CAADHN COCCNCC(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001263230933 780724607 /nfs/dbraw/zinc/72/46/07/780724607.db2.gz RQXARZCTLCYGER-VIFPVBQESA-N 0 3 292.361 -2.417 20 0 CAADHN C[C@H](C(=O)N1CCNCCNCC1)S(C)(=O)=O ZINC001263211281 780725406 /nfs/dbraw/zinc/72/54/06/780725406.db2.gz LEJDQKHJWQADOH-SECBINFHSA-N 0 3 263.363 -1.559 20 0 CAADHN CS(=O)(=O)[C@H]1CCCN(S(=O)(=O)CCN)C1 ZINC000381547100 780729315 /nfs/dbraw/zinc/72/93/15/780729315.db2.gz LBEYRCJEJJBLBN-QMMMGPOBSA-N 0 3 270.376 -1.216 20 0 CAADHN Cc1cc(NCC(=O)N2CCOCC2)nc(N)n1 ZINC000384462654 780732811 /nfs/dbraw/zinc/73/28/11/780732811.db2.gz IIZBGTXWLMPAIL-UHFFFAOYSA-N 0 3 251.290 -0.940 20 0 CAADHN COC(=O)[C@@H](O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000385193605 780734773 /nfs/dbraw/zinc/73/47/73/780734773.db2.gz PNYIOKNZVGLJRH-MNOVXSKESA-N 0 3 258.318 -1.073 20 0 CAADHN COC(=O)[C@H](O)CNCCC(=O)N1CCOCC1 ZINC000385272698 780734943 /nfs/dbraw/zinc/73/49/43/780734943.db2.gz GMAKICHOJUHXAZ-SECBINFHSA-N 0 3 260.290 -1.641 20 0 CAADHN CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C[C@H](O)COC ZINC001264062311 780734957 /nfs/dbraw/zinc/73/49/57/780734957.db2.gz ZOLPFPJFFUWDSW-LPEHRKFASA-N 0 3 273.333 -1.552 20 0 CAADHN COC(=O)[C@H](O)CN1CCN(CC(C)(C)O)CC1 ZINC000386876339 780736143 /nfs/dbraw/zinc/73/61/43/780736143.db2.gz WFKKPDPCFOUQGA-SNVBAGLBSA-N 0 3 260.334 -1.091 20 0 CAADHN COC(=O)[C@@H](O)CN1CCN(CC(C)(C)O)CC1 ZINC000386876335 780736208 /nfs/dbraw/zinc/73/62/08/780736208.db2.gz WFKKPDPCFOUQGA-JTQLQIEISA-N 0 3 260.334 -1.091 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001264407262 780737565 /nfs/dbraw/zinc/73/75/65/780737565.db2.gz SPUKZYZKYRAGAH-OCAPTIKFSA-N 0 3 266.305 -1.683 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001264871704 780740619 /nfs/dbraw/zinc/74/06/19/780740619.db2.gz CKQKPKMAQQAECX-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H]1CCCCN1C(=O)C(N)=O ZINC001264742864 780740643 /nfs/dbraw/zinc/74/06/43/780740643.db2.gz KHPPTFDHAILMPI-QWRGUYRKSA-N 0 3 287.360 -1.208 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001264871798 780740797 /nfs/dbraw/zinc/74/07/97/780740797.db2.gz MNVWIAGYYSVWGM-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCc1cn(C)nn1 ZINC000389904641 780740866 /nfs/dbraw/zinc/74/08/66/780740866.db2.gz FWHSTPUGVVCNKI-JTQLQIEISA-N 0 3 268.321 -1.469 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H]1CCCCN1C(=O)C(N)=O ZINC001265090062 780741532 /nfs/dbraw/zinc/74/15/32/780741532.db2.gz VOZJKMUVTKKAEH-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CCN(CCCNC(=O)[C@H](C)NC(N)=O)[C@H]1CCNC1=O ZINC001265110380 780743060 /nfs/dbraw/zinc/74/30/60/780743060.db2.gz NJJNBNMLAQPPKN-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN Cc1nn[nH]c1C(=O)NCCCN1CCN(CCO)CC1 ZINC001265247318 780743293 /nfs/dbraw/zinc/74/32/93/780743293.db2.gz HIGOHHLTMYZLAY-UHFFFAOYSA-N 0 3 296.375 -1.157 20 0 CAADHN CCN(CCCNC(=O)c1nnn(C)n1)[C@@H]1CCNC1=O ZINC001265127752 780743511 /nfs/dbraw/zinc/74/35/11/780743511.db2.gz HWRYAUKBVAPFQC-SECBINFHSA-N 0 3 295.347 -1.460 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H]1CCCCN1C(=O)C(N)=O ZINC001265090063 780744223 /nfs/dbraw/zinc/74/42/23/780744223.db2.gz VOZJKMUVTKKAEH-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN O=C(CCN1C(=O)CCC1=O)N[C@H]1CCN(CCO)C1 ZINC001265291861 780746463 /nfs/dbraw/zinc/74/64/63/780746463.db2.gz AIWACKKDRPKZLF-JTQLQIEISA-N 0 3 283.328 -1.292 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H]1CCN(CCO)C1 ZINC001265315093 780748189 /nfs/dbraw/zinc/74/81/89/780748189.db2.gz PENMIQAVECQBAR-BDAKNGLRSA-N 0 3 284.316 -1.843 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001265368748 780748453 /nfs/dbraw/zinc/74/84/53/780748453.db2.gz WZEHRYACRZRCNP-SCZZXKLOSA-N 0 3 284.360 -1.129 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)Cn1cccn1)C1CC1 ZINC001265345583 780748549 /nfs/dbraw/zinc/74/85/49/780748549.db2.gz GMTUTVITPBXKQI-SNVBAGLBSA-N 0 3 265.317 -1.147 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CNC(=O)CC(N)=O)C1CC1 ZINC001265349404 780748590 /nfs/dbraw/zinc/74/85/90/780748590.db2.gz CVHSWJKKGZOFDB-APPZFPTMSA-N 0 3 270.333 -1.519 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H]1CCN(CCCOC)C1 ZINC001265317486 780748917 /nfs/dbraw/zinc/74/89/17/780748917.db2.gz PVWXRCRVYSRMDI-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001265425956 780749834 /nfs/dbraw/zinc/74/98/34/780749834.db2.gz PDRYCHYZVBKPLW-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001265425853 780750240 /nfs/dbraw/zinc/75/02/40/780750240.db2.gz MESODWCYCLVMNI-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001265417162 780750329 /nfs/dbraw/zinc/75/03/29/780750329.db2.gz HQXIQRCEQLVUDM-VHSXEESVSA-N 0 3 268.317 -1.799 20 0 CAADHN COCC(=O)NC[C@@H](C)NCCNS(C)(=O)=O ZINC001265746208 780755137 /nfs/dbraw/zinc/75/51/37/780755137.db2.gz GKJFULHGBOJASY-MRVPVSSYSA-N 0 3 267.351 -1.724 20 0 CAADHN C[C@@H](CNC(=O)c1ccn[nH]1)NCCNS(C)(=O)=O ZINC001265754268 780755495 /nfs/dbraw/zinc/75/54/95/780755495.db2.gz AMHQEXKGUDFNMX-QMMMGPOBSA-N 0 3 289.361 -1.333 20 0 CAADHN CCOCC(=O)NC[C@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001265748417 780755515 /nfs/dbraw/zinc/75/55/15/780755515.db2.gz KFDXWEHWGWEMMB-DTWKUNHWSA-N 0 3 271.317 -1.078 20 0 CAADHN C[C@@H](CNC(=O)CCn1cncn1)N[C@@H](C)C(N)=O ZINC001265752877 780755597 /nfs/dbraw/zinc/75/55/97/780755597.db2.gz PRGVCNZVIQNORD-IUCAKERBSA-N 0 3 268.321 -1.364 20 0 CAADHN C[C@H](CNC(=O)c1cn[nH]c1)N[C@H]1CCC(=O)NC1=O ZINC001265755064 780755644 /nfs/dbraw/zinc/75/56/44/780755644.db2.gz RFYTVJUJKCORSS-APPZFPTMSA-N 0 3 279.300 -1.077 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)NCc1n[nH]c(C)n1 ZINC001265748574 780755826 /nfs/dbraw/zinc/75/58/26/780755826.db2.gz NTFQBWRBZQJQEF-SSDOTTSWSA-N 0 3 268.321 -1.156 20 0 CAADHN C[C@H](NC[C@H]1CCCCN1C(=O)CC(N)=O)C(N)=O ZINC001265665989 780755863 /nfs/dbraw/zinc/75/58/63/780755863.db2.gz PMAHGFYVGNFEJL-DTWKUNHWSA-N 0 3 270.333 -1.294 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCC(=O)NC1=O ZINC001265750418 780756023 /nfs/dbraw/zinc/75/60/23/780756023.db2.gz LQKAXDYPTMWJQM-JGVFFNPUSA-N 0 3 295.303 -2.427 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@H]1CNCC(=O)N1CCC1 ZINC001265679980 780756057 /nfs/dbraw/zinc/75/60/57/780756057.db2.gz JKZUOQDGOLBGKF-JTQLQIEISA-N 0 3 282.344 -1.325 20 0 CAADHN C[C@H](CNC(=O)Cc1ccn(C)n1)N[C@H](C)C(N)=O ZINC001265773568 780756788 /nfs/dbraw/zinc/75/67/88/780756788.db2.gz YKCLUGZMLLVNQZ-RKDXNWHRSA-N 0 3 267.333 -1.069 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N[C@@H](C)C(N)=O ZINC001265771389 780756799 /nfs/dbraw/zinc/75/67/99/780756799.db2.gz UXTKJCFQJBIQNY-RQJHMYQMSA-N 0 3 254.294 -1.603 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1)NCC(N)=O ZINC001265767348 780756871 /nfs/dbraw/zinc/75/68/71/780756871.db2.gz ZPZNEVGRVWYGIT-SECBINFHSA-N 0 3 258.322 -2.102 20 0 CAADHN C[C@H](CNC(=O)CC(N)=O)NCCS(C)(=O)=O ZINC001265760694 780756890 /nfs/dbraw/zinc/75/68/90/780756890.db2.gz FWRRBLUZTDOGCF-SSDOTTSWSA-N 0 3 265.335 -1.999 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001265758695 780756903 /nfs/dbraw/zinc/75/69/03/780756903.db2.gz IKSSTHCQTZXWNK-HTQZYQBOSA-N 0 3 258.322 -1.519 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCn1ccnn1 ZINC001265769061 780756939 /nfs/dbraw/zinc/75/69/39/780756939.db2.gz NQAKORVMIHUPKI-SECBINFHSA-N 0 3 268.321 -1.492 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)NCC(=O)NC1CC1 ZINC001265761665 780757014 /nfs/dbraw/zinc/75/70/14/780757014.db2.gz YTTLCHQNUUPINY-ZETCQYMHSA-N 0 3 256.306 -1.765 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001265768438 780757045 /nfs/dbraw/zinc/75/70/45/780757045.db2.gz BDBCWPVLFMVPJM-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001265758697 780757351 /nfs/dbraw/zinc/75/73/51/780757351.db2.gz IKSSTHCQTZXWNK-SFYZADRCSA-N 0 3 258.322 -1.519 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CCNC1=O ZINC001265808588 780757961 /nfs/dbraw/zinc/75/79/61/780757961.db2.gz HAYANOWMOSABRX-ZJUUUORDSA-N 0 3 284.360 -1.259 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001265808602 780758039 /nfs/dbraw/zinc/75/80/39/780758039.db2.gz HEGPDKDWEPZNIH-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N[C@H]1CCC(=O)NC1=O ZINC001265811440 780758197 /nfs/dbraw/zinc/75/81/97/780758197.db2.gz RDIFUJLEUPHEMC-RWHSBRQSSA-N 0 3 295.339 -1.222 20 0 CAADHN C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N[C@@H]1CCC(=O)NC1=O ZINC001265811439 780758416 /nfs/dbraw/zinc/75/84/16/780758416.db2.gz RDIFUJLEUPHEMC-GPTQDWHKSA-N 0 3 295.339 -1.222 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCNC1=O)NCC(=O)N(C)C ZINC001265788400 780758689 /nfs/dbraw/zinc/75/86/89/780758689.db2.gz LNMNFYWWJZPIAM-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN COc1cc(C(=O)NC[C@H](C)NCC(N)=O)nn1C ZINC001265798569 780758696 /nfs/dbraw/zinc/75/86/96/780758696.db2.gz GIXYXPNIDSDALQ-ZETCQYMHSA-N 0 3 269.305 -1.378 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001265789099 780758751 /nfs/dbraw/zinc/75/87/51/780758751.db2.gz ZPQLAAUAYKTRPH-JGVFFNPUSA-N 0 3 272.349 -1.273 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001265789100 780758770 /nfs/dbraw/zinc/75/87/70/780758770.db2.gz ZPQLAAUAYKTRPH-SFYZADRCSA-N 0 3 272.349 -1.273 20 0 CAADHN Cc1noc(CCC(=O)NC[C@H](C)NCC(N)=O)n1 ZINC001265806916 780758844 /nfs/dbraw/zinc/75/88/44/780758844.db2.gz PDPYITQEAXTVJM-ZETCQYMHSA-N 0 3 269.305 -1.110 20 0 CAADHN CC[C@@]1(C(=O)NC[C@H](C)NCC(=O)NC)CCNC1=O ZINC001265785652 780758865 /nfs/dbraw/zinc/75/88/65/780758865.db2.gz FORIXDGNXRUEJT-TVQRCGJNSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCNC1=O)NCC(=O)N(C)C ZINC001265788402 780758874 /nfs/dbraw/zinc/75/88/74/780758874.db2.gz LNMNFYWWJZPIAM-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCNC1=O)NCC(=O)N(C)C ZINC001265788399 780758894 /nfs/dbraw/zinc/75/88/94/780758894.db2.gz LNMNFYWWJZPIAM-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1C[C@H]1C)NCC(=O)NC(N)=O ZINC001265808495 780758900 /nfs/dbraw/zinc/75/89/00/780758900.db2.gz FLFOUVMJFSBLGI-BWZBUEFSSA-N 0 3 256.306 -1.068 20 0 CAADHN C[C@@H](CNC(=O)C1(C(N)=O)CC1)NCC(=O)N1CCC1 ZINC001265816368 780759649 /nfs/dbraw/zinc/75/96/49/780759649.db2.gz UHOXQQMMYONUKU-VIFPVBQESA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)NCCCS(C)(=O)=O ZINC001265818368 780759662 /nfs/dbraw/zinc/75/96/62/780759662.db2.gz JOYQHCZTUBMNHJ-SSDOTTSWSA-N 0 3 265.335 -1.999 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N[C@@H](C)C(N)=O ZINC001265838654 780760396 /nfs/dbraw/zinc/76/03/96/780760396.db2.gz NUKOOJGGMOQUAQ-RQJHMYQMSA-N 0 3 254.294 -1.603 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cc1ncc[nH]1)C(N)=O ZINC001265843502 780761542 /nfs/dbraw/zinc/76/15/42/780761542.db2.gz HRBMPMMIEPJHMJ-JGVFFNPUSA-N 0 3 253.306 -1.080 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N[C@H](C)C(N)=O ZINC001265838653 780761838 /nfs/dbraw/zinc/76/18/38/780761838.db2.gz NUKOOJGGMOQUAQ-RNFRBKRXSA-N 0 3 254.294 -1.603 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)N[C@@H]1CCNC1=O ZINC001265839003 780761989 /nfs/dbraw/zinc/76/19/89/780761989.db2.gz WEJCSPIBWZIUBP-JGVFFNPUSA-N 0 3 266.305 -1.589 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cnn(C)n1)C(N)=O ZINC001265838652 780762126 /nfs/dbraw/zinc/76/21/26/780762126.db2.gz NUKOOJGGMOQUAQ-NKWVEPMBSA-N 0 3 254.294 -1.603 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001265860755 780762204 /nfs/dbraw/zinc/76/22/04/780762204.db2.gz ALJKZMUIYGDBSJ-HTQZYQBOSA-N 0 3 299.331 -2.185 20 0 CAADHN C[C@@H](CNC(=O)Cc1ncc[nH]1)N[C@@H](C)C(N)=O ZINC001265843504 780762236 /nfs/dbraw/zinc/76/22/36/780762236.db2.gz HRBMPMMIEPJHMJ-YUMQZZPRSA-N 0 3 253.306 -1.080 20 0 CAADHN C[C@H](CNC(=O)Cc1ncc[nH]1)N[C@H](C)C(N)=O ZINC001265843501 780762317 /nfs/dbraw/zinc/76/23/17/780762317.db2.gz HRBMPMMIEPJHMJ-HTQZYQBOSA-N 0 3 253.306 -1.080 20 0 CAADHN COCCOCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001265895051 780763452 /nfs/dbraw/zinc/76/34/52/780763452.db2.gz COJJTBVWHKCOSH-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)NCCF ZINC001265861902 780763468 /nfs/dbraw/zinc/76/34/68/780763468.db2.gz XVBXRRQEWGUJEF-QMMMGPOBSA-N 0 3 274.296 -1.056 20 0 CAADHN O=C(CNC(=O)[C@@H]1CNCCN1)NCC(F)(F)F ZINC000393703783 780765914 /nfs/dbraw/zinc/76/59/14/780765914.db2.gz LECCLZOAMNQWGD-LURJTMIESA-N 0 3 268.239 -1.658 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H]1CCCCN1C(=O)C(N)=O ZINC001266003248 780766255 /nfs/dbraw/zinc/76/62/55/780766255.db2.gz YJTSFHJTHNSZBG-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN NCCS(=O)(=O)NCC(=O)NCC(F)(F)F ZINC000393702823 780766285 /nfs/dbraw/zinc/76/62/85/780766285.db2.gz FIXNYYZGBLNGSP-UHFFFAOYSA-N 0 3 263.241 -1.457 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)C(N)=O ZINC001266003246 780766505 /nfs/dbraw/zinc/76/65/05/780766505.db2.gz YJTSFHJTHNSZBG-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCN(CCCNC(=O)CCNC(N)=O)[C@@H]1CCNC1=O ZINC001266108949 780768492 /nfs/dbraw/zinc/76/84/92/780768492.db2.gz LMZVTXJYLDPHDP-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CCN(CCCNC(=O)C(N)=O)[C@H](C)C(=O)NC ZINC001266077995 780768450 /nfs/dbraw/zinc/76/84/50/780768450.db2.gz ZZEIFQZJURDXHT-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN CCN(CCCNC(=O)CCNC(N)=O)[C@H]1CCNC1=O ZINC001266108948 780768476 /nfs/dbraw/zinc/76/84/76/780768476.db2.gz LMZVTXJYLDPHDP-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN CCN(CCCNC(=O)C(N)=O)[C@@H](C)C(=O)NC ZINC001266077996 780769215 /nfs/dbraw/zinc/76/92/15/780769215.db2.gz ZZEIFQZJURDXHT-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)COC)CCO1 ZINC001280546882 780784282 /nfs/dbraw/zinc/78/42/82/780784282.db2.gz BZFLFXVTWIBQBU-VIFPVBQESA-N 0 3 259.306 -1.804 20 0 CAADHN C[C@H](NCCOCCN(C)C(=O)c1cn(C)cn1)C(N)=O ZINC001279401782 780773380 /nfs/dbraw/zinc/77/33/80/780773380.db2.gz HLCABIZDGUBIAM-JTQLQIEISA-N 0 3 297.359 -1.028 20 0 CAADHN Cc1nc([C@H](C)NCCOCCN(C)C(=O)C(N)=O)n[nH]1 ZINC001279436528 780773702 /nfs/dbraw/zinc/77/37/02/780773702.db2.gz JDRBAKNYCLPWBD-QMMMGPOBSA-N 0 3 298.347 -1.276 20 0 CAADHN NC(=O)C(=O)N[C@@]1(CO)CCCN(CC2CC2)C1 ZINC001279509835 780773761 /nfs/dbraw/zinc/77/37/61/780773761.db2.gz OFPDQULSIBHSJF-LBPRGKRZSA-N 0 3 255.318 -1.175 20 0 CAADHN Cc1nn(C)cc1CNCCOCCN(C)C(=O)C(N)=O ZINC001279436406 780773916 /nfs/dbraw/zinc/77/39/16/780773916.db2.gz GANJQQQRNYCAEF-UHFFFAOYSA-N 0 3 297.359 -1.222 20 0 CAADHN Cc1nc([C@@H](C)NCCOCCN(C)C(=O)C(N)=O)n[nH]1 ZINC001279436527 780774214 /nfs/dbraw/zinc/77/42/14/780774214.db2.gz JDRBAKNYCLPWBD-MRVPVSSYSA-N 0 3 298.347 -1.276 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1nccnc1N ZINC001279392484 780774334 /nfs/dbraw/zinc/77/43/34/780774334.db2.gz IFBVXPJFOKURJO-UHFFFAOYSA-N 0 3 296.331 -1.778 20 0 CAADHN CC(C)C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001279659975 780774843 /nfs/dbraw/zinc/77/48/43/780774843.db2.gz BCRLBMZWOPOWPK-JTQLQIEISA-N 0 3 257.334 -1.059 20 0 CAADHN CCC(=O)N(CCO)CCN[C@@H]1CCC(=O)NC1=O ZINC001279630736 780774943 /nfs/dbraw/zinc/77/49/43/780774943.db2.gz IOZRGPURZSFBBI-SECBINFHSA-N 0 3 271.317 -1.388 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)c1cocn1 ZINC001279672919 780774954 /nfs/dbraw/zinc/77/49/54/780774954.db2.gz NVJIQKGNFMYWRY-UHFFFAOYSA-N 0 3 284.316 -1.165 20 0 CAADHN CC(=O)N(CCO)CCNCC(=O)NC[C@H]1CCCO1 ZINC001279630944 780775112 /nfs/dbraw/zinc/77/51/12/780775112.db2.gz MUISOHQLSDFWPA-GFCCVEGCSA-N 0 3 287.360 -1.288 20 0 CAADHN CCC(=O)N(CCO)CCN[C@H]1CCC(=O)NC1=O ZINC001279630737 780775185 /nfs/dbraw/zinc/77/51/85/780775185.db2.gz IOZRGPURZSFBBI-VIFPVBQESA-N 0 3 271.317 -1.388 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cccn1C ZINC001279659973 780775374 /nfs/dbraw/zinc/77/53/74/780775374.db2.gz AYHPASZXIXUKJJ-UHFFFAOYSA-N 0 3 282.344 -1.205 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@H]1CCCOCC1 ZINC001279705482 780775401 /nfs/dbraw/zinc/77/54/01/780775401.db2.gz UZHIJEUEGUFWLF-NSHDSACASA-N 0 3 287.360 -1.301 20 0 CAADHN COC[C@H](O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)C(N)=O ZINC001279576664 780775483 /nfs/dbraw/zinc/77/54/83/780775483.db2.gz OYYLUSXFIIEFKI-OUAUKWLOSA-N 0 3 285.344 -1.456 20 0 CAADHN Cc1c(C(=O)N(CCO)CCNCC(N)=O)cnn1C ZINC001279661400 780775621 /nfs/dbraw/zinc/77/56/21/780775621.db2.gz ZMAGJFVPCVMXDQ-UHFFFAOYSA-N 0 3 283.332 -1.762 20 0 CAADHN Cn1cc(CC(=O)N(CCO)CCNCC(N)=O)cn1 ZINC001279672203 780775806 /nfs/dbraw/zinc/77/58/06/780775806.db2.gz GCXYATSDGWLMHD-UHFFFAOYSA-N 0 3 283.332 -2.142 20 0 CAADHN CCN(CC)CC(=O)NCC1CC(NC(=O)C(N)=O)C1 ZINC001280100224 780778992 /nfs/dbraw/zinc/77/89/92/780778992.db2.gz OKDHHLARIDIJBZ-UHFFFAOYSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)CC(N)=O ZINC001280434058 780781735 /nfs/dbraw/zinc/78/17/35/780781735.db2.gz JLXNSLHUSLILCJ-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CN1CC[C@H](C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1=O ZINC001280449077 780781813 /nfs/dbraw/zinc/78/18/13/780781813.db2.gz ICHUQLGWKNVMEV-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](C)N(C)C(=O)C(N)=O)N(C)C ZINC001280520379 780782838 /nfs/dbraw/zinc/78/28/38/780782838.db2.gz UIJMZKIYWSHNSS-RKDXNWHRSA-N 0 3 272.349 -1.225 20 0 CAADHN CC(C)(C)C(=O)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001280564887 780783658 /nfs/dbraw/zinc/78/36/58/780783658.db2.gz BJAPVFLOPDGFLM-SECBINFHSA-N 0 3 285.344 -1.096 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)COC)CCO1 ZINC001280546794 780784226 /nfs/dbraw/zinc/78/42/26/780784226.db2.gz BZFLFXVTWIBQBU-SECBINFHSA-N 0 3 259.306 -1.804 20 0 CAADHN O=C([C@@H]1COC(=O)N1)N1CCO[C@@H](CNCCF)C1 ZINC001280579787 780785072 /nfs/dbraw/zinc/78/50/72/780785072.db2.gz CBBZWACFMYBLSC-IUCAKERBSA-N 0 3 275.280 -1.119 20 0 CAADHN O=C([C@H]1COC(=O)N1)N1CCO[C@H](CNCCF)C1 ZINC001280579789 780785157 /nfs/dbraw/zinc/78/51/57/780785157.db2.gz CBBZWACFMYBLSC-RKDXNWHRSA-N 0 3 275.280 -1.119 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280571095 780785442 /nfs/dbraw/zinc/78/54/42/780785442.db2.gz RNKIUERFZAAVHN-RKDXNWHRSA-N 0 3 286.332 -2.187 20 0 CAADHN O=C([C@@H]1COC(=O)N1)N1CCO[C@H](CNCCF)C1 ZINC001280579780 780785493 /nfs/dbraw/zinc/78/54/93/780785493.db2.gz CBBZWACFMYBLSC-BDAKNGLRSA-N 0 3 275.280 -1.119 20 0 CAADHN NC(=O)C(=O)NC[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC001280711458 780786201 /nfs/dbraw/zinc/78/62/01/780786201.db2.gz VAUJRQDEYQZWHP-RTCCRHLQSA-N 0 3 294.355 -1.612 20 0 CAADHN CC[C@H](C(=O)N1CC([C@H](C)NC(=O)C(N)=O)C1)N(C)C ZINC001280651511 780786394 /nfs/dbraw/zinc/78/63/94/780786394.db2.gz VOZSNCNNTYPIAP-WCBMZHEXSA-N 0 3 284.360 -1.225 20 0 CAADHN CC[C@@H](C(=O)N1CC([C@@H](C)NC(=O)C(N)=O)C1)N(C)C ZINC001280651510 780786348 /nfs/dbraw/zinc/78/63/48/780786348.db2.gz VOZSNCNNTYPIAP-SCZZXKLOSA-N 0 3 284.360 -1.225 20 0 CAADHN CC(C)[C@H](C(=O)NC[C@H](CO)NC(=O)C(N)=O)N(C)C ZINC001281097233 780793822 /nfs/dbraw/zinc/79/38/22/780793822.db2.gz AEOYJIZCCCGTJT-RKDXNWHRSA-N 0 3 288.348 -2.349 20 0 CAADHN NC(=O)CNCC1(NC(=O)C(F)F)CCOCC1 ZINC001281191332 780798415 /nfs/dbraw/zinc/79/84/15/780798415.db2.gz FTNYYJJVNUHSNF-UHFFFAOYSA-N 0 3 265.260 -1.008 20 0 CAADHN CC[C@H](NCC1(NC(=O)C(N)=O)CCOCC1)C(N)=O ZINC001281263927 780799829 /nfs/dbraw/zinc/79/98/29/780799829.db2.gz FIZLFZMUDUYRKI-QMMMGPOBSA-N 0 3 286.332 -2.009 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cnon2)C[C@@H]1C ZINC001281458835 780801899 /nfs/dbraw/zinc/80/18/99/780801899.db2.gz VQUIGINNIKPMOM-CBAPKCEASA-N 0 3 267.289 -1.134 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1NCCS(C)(=O)=O ZINC001281388356 780802029 /nfs/dbraw/zinc/80/20/29/780802029.db2.gz PTASMLMUKXGAAA-DTWKUNHWSA-N 0 3 291.373 -1.657 20 0 CAADHN COCCOCC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001281389153 780802730 /nfs/dbraw/zinc/80/27/30/780802730.db2.gz VSGPLDQLCLARRI-ZJUUUORDSA-N 0 3 273.333 -1.429 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)C2(C(N)=O)CC2)CC1 ZINC001281626768 780803862 /nfs/dbraw/zinc/80/38/62/780803862.db2.gz IEUNLARGEUTULT-UHFFFAOYSA-N 0 3 298.343 -2.320 20 0 CAADHN C[C@@H](CCNC(=O)C(N)=O)NCC(=O)Nc1ccon1 ZINC001281744937 780806448 /nfs/dbraw/zinc/80/64/48/780806448.db2.gz NICBSAGHMKNBTR-ZETCQYMHSA-N 0 3 283.288 -1.417 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)[C@@H]2CCNC2=O)CC1 ZINC001281806928 780806489 /nfs/dbraw/zinc/80/64/89/780806489.db2.gz ZQEDDJVBLROCHM-GHMZBOCLSA-N 0 3 299.371 -1.554 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@H]1CCCNC1=O ZINC001281808349 780807064 /nfs/dbraw/zinc/80/70/64/780807064.db2.gz IWFVRYPXIBRGDW-NSHDSACASA-N 0 3 299.371 -1.552 20 0 CAADHN C[C@@H](NCC(=O)N(C)C1CC1)[C@H](C)NC(=O)C(N)=O ZINC001282186613 780812060 /nfs/dbraw/zinc/81/20/60/780812060.db2.gz WANYJKWESBXDBY-SFYZADRCSA-N 0 3 270.333 -1.425 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)CC(N)=O ZINC001282115595 780812097 /nfs/dbraw/zinc/81/20/97/780812097.db2.gz WRVOYYUIHRTYOU-SFYZADRCSA-N 0 3 258.322 -1.519 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001282168863 780812697 /nfs/dbraw/zinc/81/26/97/780812697.db2.gz SJVPVYDKLFFNAQ-RQJHMYQMSA-N 0 3 269.305 -1.293 20 0 CAADHN C[C@@H](NC(=O)c1cc[n+]([O-])cc1)[C@H](C)NCC(N)=O ZINC001282089383 780812778 /nfs/dbraw/zinc/81/27/78/780812778.db2.gz YPDREDDWZSZRTL-DTWKUNHWSA-N 0 3 266.301 -1.098 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)Cc1cnn(C)c1 ZINC001282095343 780813011 /nfs/dbraw/zinc/81/30/11/780813011.db2.gz HATDKBGURLIMDO-BDAKNGLRSA-N 0 3 267.333 -1.069 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC(N)=O ZINC001282116515 780813153 /nfs/dbraw/zinc/81/31/53/780813153.db2.gz ZECQGDBZSMCOKH-RKDXNWHRSA-N 0 3 272.349 -1.131 20 0 CAADHN C[C@@H](NC(=O)C1CC(=O)NC(=O)C1)[C@H](C)NCC(N)=O ZINC001282205451 780813963 /nfs/dbraw/zinc/81/39/63/780813963.db2.gz WRPQRNQKUNDFBN-NKWVEPMBSA-N 0 3 284.316 -1.993 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001282227776 780814087 /nfs/dbraw/zinc/81/40/87/780814087.db2.gz JQDUMLFORKGILT-JGVFFNPUSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@@H](NC(=O)Cc1cncn1C)[C@H](C)NCC(N)=O ZINC001282220324 780814344 /nfs/dbraw/zinc/81/43/44/780814344.db2.gz PFCFIFUDRWSHAF-DTWKUNHWSA-N 0 3 267.333 -1.069 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001282231184 780814394 /nfs/dbraw/zinc/81/43/94/780814394.db2.gz VLNXDRFBIFHMIH-SFYZADRCSA-N 0 3 284.316 -1.897 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)Cc1cncn1C ZINC001282220325 780814871 /nfs/dbraw/zinc/81/48/71/780814871.db2.gz PFCFIFUDRWSHAF-IUCAKERBSA-N 0 3 267.333 -1.069 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)CCO ZINC001282426685 780816641 /nfs/dbraw/zinc/81/66/41/780816641.db2.gz UPLUGFWTOLJYPW-NXEZZACHSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)N(C)CCO ZINC001282426689 780816834 /nfs/dbraw/zinc/81/68/34/780816834.db2.gz UPLUGFWTOLJYPW-VHSXEESVSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)N(C)CCO ZINC001282426690 780817085 /nfs/dbraw/zinc/81/70/85/780817085.db2.gz UPLUGFWTOLJYPW-ZJUUUORDSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)N(C)CCO ZINC001282397283 780817261 /nfs/dbraw/zinc/81/72/61/780817261.db2.gz CMMWTHPTUJZSEQ-UWVGGRQHSA-N 0 3 257.334 -1.107 20 0 CAADHN CCN1CC([C@H](C)NC(=O)CN2C(=O)CNC2=O)C1 ZINC001282744286 780823090 /nfs/dbraw/zinc/82/30/90/780823090.db2.gz IPYWTUDXQFZGDL-QMMMGPOBSA-N 0 3 268.317 -1.005 20 0 CAADHN C[C@H](NC(=O)C[C@@H]1NC(=O)NC1=O)C1CN(CCCO)C1 ZINC001282718182 780823262 /nfs/dbraw/zinc/82/32/62/780823262.db2.gz XAAWQCPLRCSWEK-WPRPVWTQSA-N 0 3 298.343 -1.597 20 0 CAADHN CC(=O)N1CCO[C@@H]([C@@H](C)NCCNS(C)(=O)=O)C1 ZINC001282895614 780827515 /nfs/dbraw/zinc/82/75/15/780827515.db2.gz OIDFONMYEADRQR-MWLCHTKSSA-N 0 3 293.389 -1.239 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)Cn1cnnn1)N(C)C ZINC001282903689 780828161 /nfs/dbraw/zinc/82/81/61/780828161.db2.gz LUUWKVFKPPSOOY-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN CN(C)C1(C(=O)NCCNC(=O)[C@@H]2COC(=O)N2)CCC1 ZINC001282992998 780837854 /nfs/dbraw/zinc/83/78/54/780837854.db2.gz WNPRFYCFNZHLRI-VIFPVBQESA-N 0 3 298.343 -1.189 20 0 CAADHN Cc1nnc(CC(=O)NCCNC(=O)[C@H]2CCCN2C)[nH]1 ZINC001283005720 780838773 /nfs/dbraw/zinc/83/87/73/780838773.db2.gz YTHZFKNNYIHFGL-SNVBAGLBSA-N 0 3 294.359 -1.018 20 0 CAADHN CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1COC(=O)N1 ZINC001282994153 780838866 /nfs/dbraw/zinc/83/88/66/780838866.db2.gz FRTXSXNRYWJXIJ-SECBINFHSA-N 0 3 286.332 -1.333 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)CCNC(N)=O)N(C)C ZINC001283005908 780839265 /nfs/dbraw/zinc/83/92/65/780839265.db2.gz DJFNQSSAYUIBKB-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN CN(C)C1(C(=O)NCCNC(=O)[C@H]2CCNC2=O)CCC1 ZINC001283065874 780841146 /nfs/dbraw/zinc/84/11/46/780841146.db2.gz PJEWNGAFEAFXSZ-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CCCN(C)CC(=O)NCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001283133267 780844860 /nfs/dbraw/zinc/84/48/60/780844860.db2.gz ZTMLSYCFBPIOCE-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CN(C)C1(C(=O)NCCCNC(=O)CC(N)=O)CCC1 ZINC001283212520 780847473 /nfs/dbraw/zinc/84/74/73/780847473.db2.gz VRCCXCRVXXIYED-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN CCCN(C)CC(=O)NCCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001283308999 780849814 /nfs/dbraw/zinc/84/98/14/780849814.db2.gz NFRIEUAIQFXEBL-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)NC(=O)CN(C)C1CCN(C(=O)C(N)=O)CC1 ZINC001283325753 780850170 /nfs/dbraw/zinc/85/01/70/780850170.db2.gz QWZXQLILHSSNQO-UHFFFAOYSA-N 0 3 299.331 -2.150 20 0 CAADHN CN(CC(=O)NC1CC1)C1CCN(C(=O)C(N)=O)CC1 ZINC001283326520 780850436 /nfs/dbraw/zinc/85/04/36/780850436.db2.gz YJMVLOVRELQIQD-UHFFFAOYSA-N 0 3 282.344 -1.327 20 0 CAADHN CC[C@H](C(=O)N[C@H]1CCCN(C(=O)C(N)=O)C1)N(C)C ZINC001283471884 780853217 /nfs/dbraw/zinc/85/32/17/780853217.db2.gz PEVZHPULZFLFHR-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](C(=O)N[C@H]1CCCN(C(=O)C(N)=O)C1)N(C)C ZINC001283471883 780853508 /nfs/dbraw/zinc/85/35/08/780853508.db2.gz PEVZHPULZFLFHR-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C1CC1)N(C)C(=O)C(N)=O ZINC001283532130 780854762 /nfs/dbraw/zinc/85/47/62/780854762.db2.gz KDEUCKQUYVWHRV-APPZFPTMSA-N 0 3 270.333 -1.567 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)CC(N)=O ZINC001283592457 780854889 /nfs/dbraw/zinc/85/48/89/780854889.db2.gz USOFIISPGQBHGN-VIFPVBQESA-N 0 3 272.349 -1.177 20 0 CAADHN CCN1CC[C@@H](N[C@@H](C)CN(C)C(=O)CC(N)=O)C1=O ZINC001283593140 780854897 /nfs/dbraw/zinc/85/48/97/780854897.db2.gz ZCMNZYNOGBYCRO-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN COCCOCC(=O)N(C)C[C@@H](C)N[C@H]1CCNC1=O ZINC001283591032 780855043 /nfs/dbraw/zinc/85/50/43/780855043.db2.gz GTMFVXOPNDJZPR-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CN(C(=O)c1cnon1)[C@@H](CNCC(N)=O)C1CC1 ZINC001283542875 780855082 /nfs/dbraw/zinc/85/50/82/780855082.db2.gz DSIIXFJFUFEZAN-VIFPVBQESA-N 0 3 267.289 -1.005 20 0 CAADHN COC[C@@H](OC)C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001283663846 780856210 /nfs/dbraw/zinc/85/62/10/780856210.db2.gz SAJPJRLONDSNQY-RKDXNWHRSA-N 0 3 261.322 -1.430 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001283665138 780856911 /nfs/dbraw/zinc/85/69/11/780856911.db2.gz RUPAAZMAPTZNQM-RKDXNWHRSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(=O)NC[C@H](CO)NCCN1C(=O)NC(C)(C)C1=O ZINC001283722824 780857435 /nfs/dbraw/zinc/85/74/35/780857435.db2.gz INDMAKVETCOAKC-SECBINFHSA-N 0 3 286.332 -1.597 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001283677255 780857524 /nfs/dbraw/zinc/85/75/24/780857524.db2.gz IRZUWJRLNOPRIU-RNCFNFMXSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnon1)N[C@H]1CCC(=O)NC1=O ZINC001283689514 780857692 /nfs/dbraw/zinc/85/76/92/780857692.db2.gz BHUUAZOEZAAUNR-YUMQZZPRSA-N 0 3 295.299 -1.075 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001283677260 780857795 /nfs/dbraw/zinc/85/77/95/780857795.db2.gz IRZUWJRLNOPRIU-ZANVPECISA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CN(C)C(=O)Cc1cncn1C)NCC(N)=O ZINC001283701798 780857807 /nfs/dbraw/zinc/85/78/07/780857807.db2.gz GCTKEZPMLLHACW-VIFPVBQESA-N 0 3 267.333 -1.116 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnon1)N[C@H]1CCC(=O)NC1=O ZINC001283689512 780857900 /nfs/dbraw/zinc/85/79/00/780857900.db2.gz BHUUAZOEZAAUNR-SFYZADRCSA-N 0 3 295.299 -1.075 20 0 CAADHN CC(=O)NC[C@@H](CO)NC[C@H]1CCS(=O)(=O)C1 ZINC001283722317 780857924 /nfs/dbraw/zinc/85/79/24/780857924.db2.gz GHOLCNSXSNBWRU-ZJUUUORDSA-N 0 3 264.347 -1.492 20 0 CAADHN NC(=O)CC(=O)NC[C@H](CO)NC[C@@H](O)c1ccccc1 ZINC001283744269 780860402 /nfs/dbraw/zinc/86/04/02/780860402.db2.gz FGZWOCNUNVKOJW-VXGBXAGGSA-N 0 3 295.339 -1.338 20 0 CAADHN CC(C)OCCN[C@H](CO)CNC(=O)c1cnnn1C ZINC001283744104 780860556 /nfs/dbraw/zinc/86/05/56/780860556.db2.gz JYOGSUWQQTXGBV-JTQLQIEISA-N 0 3 285.348 -1.080 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](CO)NC[C@@H](O)c1ccccc1 ZINC001283744268 780860632 /nfs/dbraw/zinc/86/06/32/780860632.db2.gz FGZWOCNUNVKOJW-NWDGAFQWSA-N 0 3 295.339 -1.338 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)Cn1ncnn1 ZINC001283754149 780861634 /nfs/dbraw/zinc/86/16/34/780861634.db2.gz AMXQLEQBPRFECI-MRVPVSSYSA-N 0 3 258.282 -2.614 20 0 CAADHN NC(=O)CC(=O)NC[C@H](CO)NCCC(F)(F)F ZINC001283746173 780861653 /nfs/dbraw/zinc/86/16/53/780861653.db2.gz MMNMJRIOOAWIKG-ZCFIWIBFSA-N 0 3 271.239 -1.119 20 0 CAADHN COCCN[C@H](CO)CNC(=O)Cn1ncnn1 ZINC001283754150 780862599 /nfs/dbraw/zinc/86/25/99/780862599.db2.gz AMXQLEQBPRFECI-QMMMGPOBSA-N 0 3 258.282 -2.614 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001283766117 780864094 /nfs/dbraw/zinc/86/40/94/780864094.db2.gz ZXIMPGACYAOGRT-WDEREUQCSA-N 0 3 287.360 -1.384 20 0 CAADHN CC[C@H](NCCNC(=O)CCCS(C)(=O)=O)C(N)=O ZINC001135209704 781352965 /nfs/dbraw/zinc/35/29/65/781352965.db2.gz WKXPFWGHJMEFGM-VIFPVBQESA-N 0 3 293.389 -1.219 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NCCN[C@@H]1CCNC1=O ZINC001135218840 781351588 /nfs/dbraw/zinc/35/15/88/781351588.db2.gz LUVIBVZYOWAMKK-RKDXNWHRSA-N 0 3 268.317 -1.751 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135219080 781351935 /nfs/dbraw/zinc/35/19/35/781351935.db2.gz NRAWXXCNHFFORR-JTQLQIEISA-N 0 3 284.360 -1.113 20 0 CAADHN CNC(=O)CNCCNC(=O)CCNC(=O)C1CCC1 ZINC001135194135 781352051 /nfs/dbraw/zinc/35/20/51/781352051.db2.gz IOJXMDPLKGNQKZ-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NCCN[C@H]1CCCNC1=O ZINC001135219859 781352435 /nfs/dbraw/zinc/35/24/35/781352435.db2.gz URHPBDAEZNEJJP-UWVGGRQHSA-N 0 3 282.344 -1.361 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135218031 781353012 /nfs/dbraw/zinc/35/30/12/781353012.db2.gz CLTCESRALMGJPA-QMMMGPOBSA-N 0 3 256.306 -1.893 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135218725 781353033 /nfs/dbraw/zinc/35/30/33/781353033.db2.gz KLKLSYDPEJDIHH-ZETCQYMHSA-N 0 3 285.304 -2.444 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCC(=O)N1)C(N)=O ZINC001135219820 781353106 /nfs/dbraw/zinc/35/31/06/781353106.db2.gz UAMCNZKTJCXGNK-SFYZADRCSA-N 0 3 256.306 -1.765 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135220527 781353526 /nfs/dbraw/zinc/35/35/26/781353526.db2.gz YRCVZVXFPVOTOW-QMMMGPOBSA-N 0 3 299.331 -2.184 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NCCNCC(=O)N1CCCC1 ZINC001135223263 781353572 /nfs/dbraw/zinc/35/35/72/781353572.db2.gz PVZAUYKKJOQQQF-LLVKDONJSA-N 0 3 296.371 -1.017 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001135237082 781353838 /nfs/dbraw/zinc/35/38/38/781353838.db2.gz FPUFMVXDPOWUNY-UHFFFAOYSA-N 0 3 292.299 -1.500 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc2nncn2c1)C(N)=O ZINC001135247412 781354282 /nfs/dbraw/zinc/35/42/82/781354282.db2.gz LYIORJVIORHXLW-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc2nncn2c1 ZINC001135247592 781354645 /nfs/dbraw/zinc/35/46/45/781354645.db2.gz QOTGEOULIJPDGU-UHFFFAOYSA-N 0 3 262.273 -1.466 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@H]1CCC(=O)N1)C(N)=O ZINC001135223238 781354998 /nfs/dbraw/zinc/35/49/98/781354998.db2.gz PNRXSCMXXPMDAW-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001135242069 781355236 /nfs/dbraw/zinc/35/52/36/781355236.db2.gz VPDSMJUIAHEBPF-UHFFFAOYSA-N 0 3 278.272 -1.760 20 0 CAADHN O=C(CNCCNC(=O)C[C@@H]1CCC(=O)N1)NCC1CC1 ZINC001135223875 781355263 /nfs/dbraw/zinc/35/52/63/781355263.db2.gz ZYEPQLKTDJRLJG-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)C[C@H]2CCC(=O)N2)C1=O ZINC001135220156 781355299 /nfs/dbraw/zinc/35/52/99/781355299.db2.gz WSCQBALVCSYYAE-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135276567 781355652 /nfs/dbraw/zinc/35/56/52/781355652.db2.gz DKZCKZKQNYHGBS-UHFFFAOYSA-N 0 3 298.343 -1.777 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)NC(N)=O)CC1 ZINC001135249748 781355781 /nfs/dbraw/zinc/35/57/81/781355781.db2.gz AWFIXVOYHLJQBO-UHFFFAOYSA-N 0 3 285.304 -2.587 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001135273008 781355978 /nfs/dbraw/zinc/35/59/78/781355978.db2.gz HAXNIXYMMQPEGI-VIFPVBQESA-N 0 3 296.327 -2.024 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H]2CCNC2=O)CC1 ZINC001135250706 781355986 /nfs/dbraw/zinc/35/59/86/781355986.db2.gz VCFZOIZRVWPXOB-MRVPVSSYSA-N 0 3 268.317 -1.893 20 0 CAADHN CC[C@@H](NCCNC(=O)C1(C(=O)NC)CC1)C(N)=O ZINC001135253507 781356040 /nfs/dbraw/zinc/35/60/40/781356040.db2.gz GALNWPKXJFQSHJ-MRVPVSSYSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)N(C)C)CC1 ZINC001135249779 781356115 /nfs/dbraw/zinc/35/61/15/781356115.db2.gz BMLCJZJGDBGHEJ-UHFFFAOYSA-N 0 3 270.333 -1.693 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1ccc2nncn2c1 ZINC001135247769 781356147 /nfs/dbraw/zinc/35/61/47/781356147.db2.gz UYFVDNNAELKXDY-JTQLQIEISA-N 0 3 288.311 -1.063 20 0 CAADHN CNC(=O)CNCCNC(=O)C1(C(=O)NC)CC1 ZINC001135249790 781356383 /nfs/dbraw/zinc/35/63/83/781356383.db2.gz CGCQKAGZRBMXAL-UHFFFAOYSA-N 0 3 256.306 -2.036 20 0 CAADHN O=C(CNCCNC(=O)C1CC(=O)NC(=O)C1)N1CCC1 ZINC001135276501 781356685 /nfs/dbraw/zinc/35/66/85/781356685.db2.gz BDDMRCKYNQPOMT-UHFFFAOYSA-N 0 3 296.327 -2.023 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H]2CCN(C)C2=O)CC1 ZINC001135253789 781356764 /nfs/dbraw/zinc/35/67/64/781356764.db2.gz LSOBFCWQNLQUFX-SECBINFHSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(C(N)=O)s1 ZINC001135260678 781356787 /nfs/dbraw/zinc/35/67/87/781356787.db2.gz PBYJPORIKHZZIJ-UHFFFAOYSA-N 0 3 284.341 -1.088 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C2CC(=O)NC(=O)C2)C1=O ZINC001135273007 781356897 /nfs/dbraw/zinc/35/68/97/781356897.db2.gz HAXNIXYMMQPEGI-SECBINFHSA-N 0 3 296.327 -2.024 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C1(C(=O)NC)CC1 ZINC001135253552 781356936 /nfs/dbraw/zinc/35/69/36/781356936.db2.gz HSLCLVABESSMIU-MRVPVSSYSA-N 0 3 270.333 -1.647 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C1(C(=O)NC)CC1 ZINC001135250865 781356972 /nfs/dbraw/zinc/35/69/72/781356972.db2.gz XIIWAIOJOHAKNY-UHFFFAOYSA-N 0 3 299.331 -2.326 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)CC1 ZINC001135262895 781357102 /nfs/dbraw/zinc/35/71/02/781357102.db2.gz FOPAJCADDJYRJB-SSDOTTSWSA-N 0 3 299.331 -2.198 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)C2(C(=O)NC)CC2)C1=O ZINC001135253583 781357171 /nfs/dbraw/zinc/35/71/71/781357171.db2.gz JBQKKYRTGZWXNS-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001135283200 781357537 /nfs/dbraw/zinc/35/75/37/781357537.db2.gz NZGCQLREPQXJAF-ZETCQYMHSA-N 0 3 252.278 -1.977 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)C1CC(=O)NC(=O)C1 ZINC001135269186 781357616 /nfs/dbraw/zinc/35/76/16/781357616.db2.gz MAXHKMOZKGWMRC-QMMMGPOBSA-N 0 3 282.300 -2.367 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnn(C)n1 ZINC001135283213 781357712 /nfs/dbraw/zinc/35/77/12/781357712.db2.gz ONXNHRNFKYXPCM-UHFFFAOYSA-N 0 3 254.294 -1.729 20 0 CAADHN O=C(CNCCNC(=O)C1CC(=O)NC(=O)C1)NC1CC1 ZINC001135268775 781357895 /nfs/dbraw/zinc/35/78/95/781357895.db2.gz GRPWOZBSUYXNDY-UHFFFAOYSA-N 0 3 296.327 -1.976 20 0 CAADHN Cn1cncc1CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135269643 781358324 /nfs/dbraw/zinc/35/83/24/781358324.db2.gz QGKUABADKZQAOI-UHFFFAOYSA-N 0 3 293.327 -1.321 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@H]2CCCN(C)C2=O)n1 ZINC001135283174 781358682 /nfs/dbraw/zinc/35/86/82/781358682.db2.gz MQCGKYWTHJQJEP-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN Cn1nccc1CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135270337 781358728 /nfs/dbraw/zinc/35/87/28/781358728.db2.gz XQEIVGWTIJMJGE-UHFFFAOYSA-N 0 3 293.327 -1.321 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)n1 ZINC001135284156 781358789 /nfs/dbraw/zinc/35/87/89/781358789.db2.gz FAZPVTVLNAKSFX-SSDOTTSWSA-N 0 3 280.288 -2.060 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135268729 781359035 /nfs/dbraw/zinc/35/90/35/781359035.db2.gz GALQZXTUCSOZMS-UHFFFAOYSA-N 0 3 299.287 -3.060 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135270265 781359103 /nfs/dbraw/zinc/35/91/03/781359103.db2.gz VZNXQUTWNCAHLX-ZETCQYMHSA-N 0 3 284.316 -2.121 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cnn(C)n1)C(N)=O ZINC001135284459 781359547 /nfs/dbraw/zinc/35/95/47/781359547.db2.gz SMEZMYDKCHVSSR-SSDOTTSWSA-N 0 3 254.294 -1.602 20 0 CAADHN Cn1ncc(C(=O)NCCNCC(=O)N2CCC2)n1 ZINC001135288004 781359616 /nfs/dbraw/zinc/35/96/16/781359616.db2.gz BPDLRWCYGBNWJT-UHFFFAOYSA-N 0 3 266.305 -1.633 20 0 CAADHN NC(=O)CNCCNC(=O)CCCCN1CCOCC1 ZINC001135322741 781359673 /nfs/dbraw/zinc/35/96/73/781359673.db2.gz DNQBNMYRDCAFAF-UHFFFAOYSA-N 0 3 286.376 -1.320 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)CC1CCCC1 ZINC001135293319 781359868 /nfs/dbraw/zinc/35/98/68/781359868.db2.gz PJVMPQIKXFCIKD-UHFFFAOYSA-N 0 3 284.360 -1.126 20 0 CAADHN Cc1cc2[nH]c(=O)c(C(=O)NCCNCC(N)=O)cn2n1 ZINC001135305268 781359918 /nfs/dbraw/zinc/35/99/18/781359918.db2.gz PBRHIRAPQAZMCC-UHFFFAOYSA-N 0 3 292.299 -1.864 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)c2cnn(C)n2)C1=O ZINC001135284401 781360147 /nfs/dbraw/zinc/36/01/47/781360147.db2.gz OXKIIFAPACDFIW-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn(C)n1)C(=O)NC1CC1 ZINC001135286870 781360449 /nfs/dbraw/zinc/36/04/49/781360449.db2.gz MIYNLNPDZFUVQI-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](NCCNC(=O)CCN1CCOCC1)C(N)=O ZINC001135340503 781361230 /nfs/dbraw/zinc/36/12/30/781361230.db2.gz BQOBQCIYKDMUNY-SNVBAGLBSA-N 0 3 272.349 -1.712 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)COc1cccnc1 ZINC001135343946 781361726 /nfs/dbraw/zinc/36/17/26/781361726.db2.gz GDTPGSBOSDMYMW-UHFFFAOYSA-N 0 3 295.299 -1.639 20 0 CAADHN O=C(CCN1CCOCC1)NCCN[C@@H]1CCNC1=O ZINC001135352741 781362615 /nfs/dbraw/zinc/36/26/15/781362615.db2.gz PUXVTHYSTKUJBG-LLVKDONJSA-N 0 3 284.360 -1.697 20 0 CAADHN O=C(CCN1CCOCC1)NCCN[C@H]1CCNC1=O ZINC001135352742 781363007 /nfs/dbraw/zinc/36/30/07/781363007.db2.gz PUXVTHYSTKUJBG-NSHDSACASA-N 0 3 284.360 -1.697 20 0 CAADHN CNC(=O)CNCCNC(=O)COc1cccnc1 ZINC001135344182 781363057 /nfs/dbraw/zinc/36/30/57/781363057.db2.gz MBKVKJBTTZHUQM-UHFFFAOYSA-N 0 3 266.301 -1.088 20 0 CAADHN CC[C@H](NCCNC(=O)CCN1CCOCC1)C(N)=O ZINC001135352524 781363466 /nfs/dbraw/zinc/36/34/66/781363466.db2.gz FZBXWTQLZBUVIB-NSHDSACASA-N 0 3 286.376 -1.322 20 0 CAADHN Cn1nncc1CNCCNC(=O)CCN1CCOCC1 ZINC001135349904 781363799 /nfs/dbraw/zinc/36/37/99/781363799.db2.gz HRASTSAKIBHVFZ-UHFFFAOYSA-N 0 3 296.375 -1.257 20 0 CAADHN O=C(CCN1CCOCC1)NCCN[C@@H]1CCCNC1=O ZINC001135352198 781363821 /nfs/dbraw/zinc/36/38/21/781363821.db2.gz CPIPBRWTTBIKOL-GFCCVEGCSA-N 0 3 298.387 -1.307 20 0 CAADHN O=C(CCN1CCOCC1)NCCNCC(=O)N1CCC1 ZINC001135336796 781363948 /nfs/dbraw/zinc/36/39/48/781363948.db2.gz KOSJMPYNZXFPQI-UHFFFAOYSA-N 0 3 298.387 -1.353 20 0 CAADHN C[C@@H](NCCNC(=O)C(C)(C)N1CCOCC1)C(N)=O ZINC001135346973 781364026 /nfs/dbraw/zinc/36/40/26/781364026.db2.gz IBPGKOMNBIQPFC-SNVBAGLBSA-N 0 3 286.376 -1.323 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCN1CCOCC1 ZINC001135352404 781364050 /nfs/dbraw/zinc/36/40/50/781364050.db2.gz DFEKKKBOWDJUKS-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN NC(=O)CNCCNC(=O)CCN1CCOCC1 ZINC001135349959 781364068 /nfs/dbraw/zinc/36/40/68/781364068.db2.gz ISWPMEGMVYAGHE-UHFFFAOYSA-N 0 3 258.322 -2.100 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001135374506 781365448 /nfs/dbraw/zinc/36/54/48/781365448.db2.gz IZKAKFRAZMIVJK-SECBINFHSA-N 0 3 298.343 -1.588 20 0 CAADHN CC[C@H](NCCNC(=O)C(C)(C)NC(C)=O)C(N)=O ZINC001135378383 781365629 /nfs/dbraw/zinc/36/56/29/781365629.db2.gz COWGMHFMEAIENM-VIFPVBQESA-N 0 3 272.349 -1.129 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CN2CC(=O)NC2=O)C1=O ZINC001135444261 781366258 /nfs/dbraw/zinc/36/62/58/781366258.db2.gz QHYPVDPJHHEERI-MRVPVSSYSA-N 0 3 297.315 -2.525 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CC(=O)NC1=O)C(N)=O ZINC001135443678 781366473 /nfs/dbraw/zinc/36/64/73/781366473.db2.gz CVNHOBCVGWUEOI-ZCFIWIBFSA-N 0 3 271.277 -2.882 20 0 CAADHN CC[C@@H](F)CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135444481 781366616 /nfs/dbraw/zinc/36/66/16/781366616.db2.gz WBEZUIYIJFYDAV-MRVPVSSYSA-N 0 3 274.296 -1.008 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CC(=O)NC1=O)C(=O)N(C)C ZINC001135444228 781366801 /nfs/dbraw/zinc/36/68/01/781366801.db2.gz OXQXGWGLZPOPPJ-MRVPVSSYSA-N 0 3 299.331 -2.279 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1CC(=O)NC1=O)C(N)=O ZINC001135444049 781367230 /nfs/dbraw/zinc/36/72/30/781367230.db2.gz LRRZUHBTIONIEW-SSDOTTSWSA-N 0 3 285.304 -2.492 20 0 CAADHN Cc1n[nH]c(C)c1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001135428730 781367417 /nfs/dbraw/zinc/36/74/17/781367417.db2.gz JRBTVGUOCTWWTN-QMMMGPOBSA-N 0 3 296.331 -1.071 20 0 CAADHN CCn1nc(C(=O)NCCNCC(=O)NC)ccc1=O ZINC001135480225 781368438 /nfs/dbraw/zinc/36/84/38/781368438.db2.gz VZMBCECUFYJQFO-UHFFFAOYSA-N 0 3 281.316 -1.671 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NCCNC/C=C\Cl ZINC001135448228 781368674 /nfs/dbraw/zinc/36/86/74/781368674.db2.gz PXGOLVODEUVXSS-UPHRSURJSA-N 0 3 274.708 -1.004 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccc(=O)n(CC)n1 ZINC001135482422 781368796 /nfs/dbraw/zinc/36/87/96/781368796.db2.gz BUYPYZGXKNOGCG-UHFFFAOYSA-N 0 3 295.343 -1.281 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccc(=O)n(CC)n1)C(N)=O ZINC001135483194 781369733 /nfs/dbraw/zinc/36/97/33/781369733.db2.gz TWUMURSZPZUBFT-VIFPVBQESA-N 0 3 295.343 -1.154 20 0 CAADHN Cn1cc(CNCCNC(=O)c2nc[nH]n2)nn1 ZINC001135520861 781370441 /nfs/dbraw/zinc/37/04/41/781370441.db2.gz PSSXWFLFSTUHEK-UHFFFAOYSA-N 0 3 250.266 -1.547 20 0 CAADHN CCn1nc(C(=O)NCCNCC(N)=O)ccc1=O ZINC001135482886 781370705 /nfs/dbraw/zinc/37/07/05/781370705.db2.gz MBMMFBAZQGVUDB-UHFFFAOYSA-N 0 3 267.289 -1.932 20 0 CAADHN Cn1nncc1CNCCNC(=O)c1nnc[nH]1 ZINC001135521148 781372269 /nfs/dbraw/zinc/37/22/69/781372269.db2.gz UOTWVKTWVZBNPT-UHFFFAOYSA-N 0 3 250.266 -1.547 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1ccncn1 ZINC001135542683 781372808 /nfs/dbraw/zinc/37/28/08/781372808.db2.gz OPLFUNGAOCRQFC-UHFFFAOYSA-N 0 3 294.315 -1.358 20 0 CAADHN O=C(CNCCNC(=O)c1nnc[nH]1)Nc1ccon1 ZINC001135529339 781373963 /nfs/dbraw/zinc/37/39/63/781373963.db2.gz OSAHTKVGVIJWIU-UHFFFAOYSA-N 0 3 279.260 -1.249 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccncn1 ZINC001135539047 781374086 /nfs/dbraw/zinc/37/40/86/781374086.db2.gz GLGIZUDNTDGGMC-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccncn1 ZINC001135539325 781374274 /nfs/dbraw/zinc/37/42/74/781374274.db2.gz QLJHXKSMLLEOHX-MRVPVSSYSA-N 0 3 251.290 -1.070 20 0 CAADHN CC[C@@H](NCCNC(=O)c1nc2ncccn2n1)C(N)=O ZINC001135550391 781374816 /nfs/dbraw/zinc/37/48/16/781374816.db2.gz HJJUPTMFKFQSIQ-MRVPVSSYSA-N 0 3 291.315 -1.292 20 0 CAADHN COCCCNC(=O)[C@H](C)NCCNC(=O)c1cnon1 ZINC001135582402 781375509 /nfs/dbraw/zinc/37/55/09/781375509.db2.gz DPQZTYGEZFUYHM-VIFPVBQESA-N 0 3 299.331 -1.070 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cnon1 ZINC001135562389 781375668 /nfs/dbraw/zinc/37/56/68/781375668.db2.gz FQNKLIZHWZDOIN-LURJTMIESA-N 0 3 267.245 -1.806 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cnon1 ZINC001135573607 781375706 /nfs/dbraw/zinc/37/57/06/781375706.db2.gz KWFVRVCCQIRTDN-UHFFFAOYSA-N 0 3 284.276 -1.765 20 0 CAADHN NC(=O)CNCCNC(=O)c1nc2ncccn2n1 ZINC001135554381 781375732 /nfs/dbraw/zinc/37/57/32/781375732.db2.gz PCPAUDYBEAZLNT-UHFFFAOYSA-N 0 3 263.261 -2.071 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cnon1 ZINC001135573488 781375763 /nfs/dbraw/zinc/37/57/63/781375763.db2.gz GILHLIYIBJXJLB-ZETCQYMHSA-N 0 3 298.303 -1.377 20 0 CAADHN C[C@@H]1CN(C(=O)CNCCNC(=O)c2cnon2)CCO1 ZINC001135567134 781375800 /nfs/dbraw/zinc/37/58/00/781375800.db2.gz IKIWMTWVCVBARG-SECBINFHSA-N 0 3 297.315 -1.364 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1nc2ncccn2n1 ZINC001135553506 781375925 /nfs/dbraw/zinc/37/59/25/781375925.db2.gz BSJPYQUIGFSGHH-MRVPVSSYSA-N 0 3 289.299 -1.668 20 0 CAADHN CC(=O)Nc1cc(C(=O)NCCNCC(N)=O)ccn1 ZINC001135582567 781376130 /nfs/dbraw/zinc/37/61/30/781376130.db2.gz LYUOTNOLVHPBRQ-UHFFFAOYSA-N 0 3 279.300 -1.155 20 0 CAADHN C[C@H](NCCNC(=O)c1cnon1)C(=O)N(C)C ZINC001135567551 781376313 /nfs/dbraw/zinc/37/63/13/781376313.db2.gz XVEVFOVNQNQHAW-ZETCQYMHSA-N 0 3 255.278 -1.134 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnon1)C(=O)N(C)C ZINC001135567550 781376405 /nfs/dbraw/zinc/37/64/05/781376405.db2.gz XVEVFOVNQNQHAW-SSDOTTSWSA-N 0 3 255.278 -1.134 20 0 CAADHN CN(CCNCCNC(=O)c1cnon1)S(C)(=O)=O ZINC001135562595 781376426 /nfs/dbraw/zinc/37/64/26/781376426.db2.gz LONCDYVVNBUOJZ-UHFFFAOYSA-N 0 3 291.333 -1.720 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1cnon1 ZINC001135562760 781376626 /nfs/dbraw/zinc/37/66/26/781376626.db2.gz SWQWOLRDKKYFJL-UHFFFAOYSA-N 0 3 255.278 -1.085 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1nc2ncccn2n1 ZINC001135553507 781376671 /nfs/dbraw/zinc/37/66/71/781376671.db2.gz BSJPYQUIGFSGHH-QMMMGPOBSA-N 0 3 289.299 -1.668 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnon1)C(=O)NC(N)=O ZINC001135582736 781376904 /nfs/dbraw/zinc/37/69/04/781376904.db2.gz STVPDZCIJIDUDC-RXMQYKEDSA-N 0 3 270.249 -2.028 20 0 CAADHN Cc1cc(C(=O)NCCNCC(=O)NC(N)=O)ccn1 ZINC001135562870 781377075 /nfs/dbraw/zinc/37/70/75/781377075.db2.gz XAGYIRVEGLCSNN-UHFFFAOYSA-N 0 3 279.300 -1.096 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)c1cnon1 ZINC001135576786 781377590 /nfs/dbraw/zinc/37/75/90/781377590.db2.gz GTTDTRNDVGFONU-ZETCQYMHSA-N 0 3 253.262 -1.332 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1ccco1 ZINC001135587082 781377624 /nfs/dbraw/zinc/37/76/24/781377624.db2.gz LKUZCMGOMWJGKI-UHFFFAOYSA-N 0 3 268.273 -1.277 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)c1cnon1 ZINC001135576785 781377640 /nfs/dbraw/zinc/37/76/40/781377640.db2.gz GTTDTRNDVGFONU-SSDOTTSWSA-N 0 3 253.262 -1.332 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1cnon1 ZINC001135576697 781377750 /nfs/dbraw/zinc/37/77/50/781377750.db2.gz BREZKVSTBSRHLP-UHFFFAOYSA-N 0 3 285.304 -1.458 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1cccnn1 ZINC001135640765 781377861 /nfs/dbraw/zinc/37/78/61/781377861.db2.gz BUZHDLQOZPAJFT-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cccnn1 ZINC001135641175 781377903 /nfs/dbraw/zinc/37/79/03/781377903.db2.gz OSFPUEFGDCZOQV-UHFFFAOYSA-N 0 3 251.290 -1.116 20 0 CAADHN O=C(CNCCNC(=O)c1cnon1)NC1CC1 ZINC001135577626 781378233 /nfs/dbraw/zinc/37/82/33/781378233.db2.gz WTNFJFCXOYCBTN-UHFFFAOYSA-N 0 3 253.262 -1.332 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1ncccn1 ZINC001135602159 781378321 /nfs/dbraw/zinc/37/83/21/781378321.db2.gz BVYYEEKYGDUHRS-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cccnn1 ZINC001135628203 781378395 /nfs/dbraw/zinc/37/83/95/781378395.db2.gz FDCGMYODKIXVAM-QMMMGPOBSA-N 0 3 251.290 -1.070 20 0 CAADHN O=C(CNCCNC(=O)c1cnon1)N1CCOCC1 ZINC001135577210 781378443 /nfs/dbraw/zinc/37/84/43/781378443.db2.gz OJOHXIQTVXRNGZ-UHFFFAOYSA-N 0 3 283.288 -1.752 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ncccn1 ZINC001135605450 781378457 /nfs/dbraw/zinc/37/84/57/781378457.db2.gz HCFGZOSZVZIGJF-MRVPVSSYSA-N 0 3 251.290 -1.070 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ncccn1 ZINC001135602510 781378520 /nfs/dbraw/zinc/37/85/20/781378520.db2.gz SIGGQQCJMFJKTD-UHFFFAOYSA-N 0 3 280.288 -1.748 20 0 CAADHN CCC[C@@H](O)CNS(=O)(=O)N1CCNCC1 ZINC000217990838 781378573 /nfs/dbraw/zinc/37/85/73/781378573.db2.gz YAQPOZFWABGVJI-SECBINFHSA-N 0 3 251.352 -1.113 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1ncccn1 ZINC001135602547 781378585 /nfs/dbraw/zinc/37/85/85/781378585.db2.gz VEBJUKZCOVZJLZ-MRVPVSSYSA-N 0 3 277.284 -1.399 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cccnn1 ZINC001135641255 781378606 /nfs/dbraw/zinc/37/86/06/781378606.db2.gz QFRNVUJGPHPGLL-UHFFFAOYSA-N 0 3 280.288 -1.748 20 0 CAADHN O=C(CNCCNC(=O)c1ncccn1)N1CCOCC1 ZINC001135602217 781378782 /nfs/dbraw/zinc/37/87/82/781378782.db2.gz FVVZVCIVFZWLPS-UHFFFAOYSA-N 0 3 293.327 -1.345 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ncccn1 ZINC001135605451 781378794 /nfs/dbraw/zinc/37/87/94/781378794.db2.gz HCFGZOSZVZIGJF-QMMMGPOBSA-N 0 3 251.290 -1.070 20 0 CAADHN Cn1cncc1CNCCNC(=O)CCn1cnnn1 ZINC001135677580 781379234 /nfs/dbraw/zinc/37/92/34/781379234.db2.gz PFXREBSBGSUTLC-UHFFFAOYSA-N 0 3 278.320 -1.297 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135677642 781379265 /nfs/dbraw/zinc/37/92/65/781379265.db2.gz SBCXZZBQUUMVQV-JTQLQIEISA-N 0 3 297.363 -1.316 20 0 CAADHN Cn1nccc1CNCCNC(=O)CCn1cnnn1 ZINC001135677564 781379286 /nfs/dbraw/zinc/37/92/86/781379286.db2.gz OVZHJYHRNAWHPB-UHFFFAOYSA-N 0 3 278.320 -1.297 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cccnn1 ZINC001135641259 781379908 /nfs/dbraw/zinc/37/99/08/781379908.db2.gz QKIZXZCFLIVPER-UHFFFAOYSA-N 0 3 294.315 -1.358 20 0 CAADHN O=C(CCn1cnnn1)NCCN[C@H]1CCNC1=O ZINC001135677299 781380070 /nfs/dbraw/zinc/38/00/70/781380070.db2.gz BPFAYNLDMXGTKL-QMMMGPOBSA-N 0 3 267.293 -2.343 20 0 CAADHN O=C(CCn1cnnn1)NCCNCC(=O)NC1CC1 ZINC001135677311 781380102 /nfs/dbraw/zinc/38/01/02/781380102.db2.gz BZRYRFJQUIWRQY-UHFFFAOYSA-N 0 3 281.320 -1.952 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135677625 781380120 /nfs/dbraw/zinc/38/01/20/781380120.db2.gz RHVFYKYFFOXZNH-UHFFFAOYSA-N 0 3 284.280 -3.036 20 0 CAADHN CN(C(=O)CNCCNC(=O)CCn1cnnn1)C1CC1 ZINC001135677772 781380478 /nfs/dbraw/zinc/38/04/78/781380478.db2.gz YSSMIANUEMBOAO-UHFFFAOYSA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1nccs1 ZINC001135659467 781380601 /nfs/dbraw/zinc/38/06/01/781380601.db2.gz CBXQKVOUKHPHJN-UHFFFAOYSA-N 0 3 285.329 -1.082 20 0 CAADHN C[C@H](NCCNC(=O)CCn1cnnn1)C(=O)NC(N)=O ZINC001135702219 781380984 /nfs/dbraw/zinc/38/09/84/781380984.db2.gz BPXYHDIQOHOKNA-ZETCQYMHSA-N 0 3 298.307 -2.648 20 0 CAADHN CCCC[C@H](NCCNC(=O)CCn1cnnn1)C(N)=O ZINC001135702932 781381059 /nfs/dbraw/zinc/38/10/59/781381059.db2.gz UVXFUEUBYLHXGH-JTQLQIEISA-N 0 3 297.363 -1.187 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135684506 781381377 /nfs/dbraw/zinc/38/13/77/781381377.db2.gz KERZYTVFZUBGDB-UHFFFAOYSA-N 0 3 297.363 -1.316 20 0 CAADHN CCc1cc(C(=O)NCCNCC(N)=O)n(C)n1 ZINC001135688596 781381523 /nfs/dbraw/zinc/38/15/23/781381523.db2.gz XOVWJKDBQWTFEG-UHFFFAOYSA-N 0 3 253.306 -1.213 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1cnnn1)C(N)=O ZINC001135681475 781381588 /nfs/dbraw/zinc/38/15/88/781381588.db2.gz LCUPTJFFGHAINY-SSDOTTSWSA-N 0 3 255.282 -2.357 20 0 CAADHN CC[C@H](NCCNC(=O)CCn1cnnn1)C(N)=O ZINC001135681488 781381871 /nfs/dbraw/zinc/38/18/71/781381871.db2.gz LORAJICIXMVRIC-QMMMGPOBSA-N 0 3 269.309 -1.967 20 0 CAADHN C[C@H](NCCNC(=O)CCn1cnnn1)C(N)=O ZINC001135681476 781382321 /nfs/dbraw/zinc/38/23/21/781382321.db2.gz LCUPTJFFGHAINY-ZETCQYMHSA-N 0 3 255.282 -2.357 20 0 CAADHN O=C(Cc1ncc[nH]1)NCCNCC(=O)N1CCC1 ZINC001135759715 781382822 /nfs/dbraw/zinc/38/28/22/781382822.db2.gz CGVGVVHIZZSXFS-UHFFFAOYSA-N 0 3 265.317 -1.110 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1ncc[nH]1 ZINC001135760585 781383432 /nfs/dbraw/zinc/38/34/32/781383432.db2.gz OPZLEBVQFAMUTK-QMMMGPOBSA-N 0 3 296.331 -1.498 20 0 CAADHN NC(=O)CNCCNC(=O)COCc1ccncc1 ZINC001135752401 781383601 /nfs/dbraw/zinc/38/36/01/781383601.db2.gz IYBGZQZZLPNBTD-UHFFFAOYSA-N 0 3 266.301 -1.211 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)N2CCOCC2)CCOC1 ZINC001135781410 781384150 /nfs/dbraw/zinc/38/41/50/781384150.db2.gz PFKCXURJSYYASE-CQSZACIVSA-N 0 3 299.371 -1.022 20 0 CAADHN C[C@]1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CCOC1 ZINC001135780528 781384196 /nfs/dbraw/zinc/38/41/96/781384196.db2.gz DZSIUNHLZOQPJL-ZANVPECISA-N 0 3 283.328 -1.076 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1ncc[nH]1 ZINC001135754684 781384229 /nfs/dbraw/zinc/38/42/29/781384229.db2.gz HDDAPBNCFXYGTE-UHFFFAOYSA-N 0 3 282.304 -1.886 20 0 CAADHN O=C(Cc1ncc[nH]1)NCCNCC(=O)N1CCOCC1 ZINC001135755010 781384587 /nfs/dbraw/zinc/38/45/87/781384587.db2.gz KXMNAPABYPEMNE-UHFFFAOYSA-N 0 3 295.343 -1.483 20 0 CAADHN CC[C@H](NCCNC(=O)Cc1ncc[nH]1)C(N)=O ZINC001135757731 781384760 /nfs/dbraw/zinc/38/47/60/781384760.db2.gz NEPROILEWHTXAT-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@@H]1OCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001135787011 781385144 /nfs/dbraw/zinc/38/51/44/781385144.db2.gz XSJHJUBTIWWPMO-VHSXEESVSA-N 0 3 293.389 -1.334 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cc(C(N)=O)c[nH]2)C1=O ZINC001135813158 781385168 /nfs/dbraw/zinc/38/51/68/781385168.db2.gz UKZSTFKXDOLKHK-SECBINFHSA-N 0 3 293.327 -1.336 20 0 CAADHN C[C@H]1OCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001135783794 781385206 /nfs/dbraw/zinc/38/52/06/781385206.db2.gz SULMFFCLAVGDRT-SFYZADRCSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCO[C@@H]1C ZINC001135783040 781385297 /nfs/dbraw/zinc/38/52/97/781385297.db2.gz LKHKCRZZMZAOTB-BDAKNGLRSA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@H](NCCNC(=O)[C@@]1(C)CCOC1)C(=O)NC(N)=O ZINC001135801761 781385773 /nfs/dbraw/zinc/38/57/73/781385773.db2.gz SZCSASCJMUEAAL-UFBFGSQYSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)NC(N)=O)CCOC1 ZINC001135782131 781385823 /nfs/dbraw/zinc/38/58/23/781385823.db2.gz YACIKXMAILSWGM-NSHDSACASA-N 0 3 272.305 -1.686 20 0 CAADHN C[C@@H]1OCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001135783795 781386022 /nfs/dbraw/zinc/38/60/22/781386022.db2.gz SULMFFCLAVGDRT-YUMQZZPRSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CCOC1)C(=O)NC(N)=O ZINC001135801759 781386103 /nfs/dbraw/zinc/38/61/03/781386103.db2.gz SZCSASCJMUEAAL-PRHODGIISA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H]1OCC[C@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001135782331 781386224 /nfs/dbraw/zinc/38/62/24/781386224.db2.gz AYPGFHZNZOVXFI-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NCCN[C@H]2CCCNC2=O)c1 ZINC001135809679 781386308 /nfs/dbraw/zinc/38/63/08/781386308.db2.gz IXPYLJVYODMZQR-VIFPVBQESA-N 0 3 293.327 -1.288 20 0 CAADHN C[C@@H]1OCC[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001135782330 781386339 /nfs/dbraw/zinc/38/63/39/781386339.db2.gz AYPGFHZNZOVXFI-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@@H]1OCC[C@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001135782329 781386481 /nfs/dbraw/zinc/38/64/81/781386481.db2.gz AYPGFHZNZOVXFI-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN Cc1cc(C)n(CC(=O)NCCN[C@H](C)C(N)=O)c(=O)n1 ZINC001135833292 781387222 /nfs/dbraw/zinc/38/72/22/781387222.db2.gz NHPRHIPEPIPUFJ-SNVBAGLBSA-N 0 3 295.343 -1.560 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001135895021 781387252 /nfs/dbraw/zinc/38/72/52/781387252.db2.gz CDNGTMJVKWFWFG-BDAKNGLRSA-N 0 3 282.348 -1.034 20 0 CAADHN Cc1cc(C)n(CC(=O)NCCN[C@@H](C)C(N)=O)c(=O)n1 ZINC001135833291 781387387 /nfs/dbraw/zinc/38/73/87/781387387.db2.gz NHPRHIPEPIPUFJ-JTQLQIEISA-N 0 3 295.343 -1.560 20 0 CAADHN C[C@@H]1C[C@H](C(=O)NCCNCC(=O)NC(N)=O)CCO1 ZINC001135837080 781387470 /nfs/dbraw/zinc/38/74/70/781387470.db2.gz CWRQLZYGVRVXGV-RKDXNWHRSA-N 0 3 286.332 -1.298 20 0 CAADHN CCOCCn1cc(C(=O)NCCNCC(=O)NC)cn1 ZINC001135900670 781387544 /nfs/dbraw/zinc/38/75/44/781387544.db2.gz YYSVERAPIUXELB-UHFFFAOYSA-N 0 3 297.359 -1.015 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135809901 781387640 /nfs/dbraw/zinc/38/76/40/781387640.db2.gz QYZJOXJAAONPKL-UHFFFAOYSA-N 0 3 295.343 -1.041 20 0 CAADHN COCCN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090525515 781388128 /nfs/dbraw/zinc/38/81/28/781388128.db2.gz LNOMQFHQTTUKPV-GXSJLCMTSA-N 0 3 296.327 -1.419 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NCCN[C@H]2CCNC2=O)c1 ZINC001135826186 781388327 /nfs/dbraw/zinc/38/83/27/781388327.db2.gz NTGBIONXDLDQLM-QMMMGPOBSA-N 0 3 279.300 -1.679 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(CC2CC2)nn1)C(N)=O ZINC001135965868 781389179 /nfs/dbraw/zinc/38/91/79/781389179.db2.gz VFEXWPBVGVEZMN-MRVPVSSYSA-N 0 3 280.332 -1.119 20 0 CAADHN CCCn1cc(C(=O)NCCN[C@@H]2CCNC2=O)nn1 ZINC001135970832 781389339 /nfs/dbraw/zinc/38/93/39/781389339.db2.gz QDKKDFFVUGSIEA-SECBINFHSA-N 0 3 280.332 -1.104 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cn(CC2CC2)nn1 ZINC001135965302 781389382 /nfs/dbraw/zinc/38/93/82/781389382.db2.gz HCTKNIJHRRHTSF-SNVBAGLBSA-N 0 3 292.343 -1.104 20 0 CAADHN CC[C@@H](NCCNC(=O)C(=O)NCC1CC1)C(N)=O ZINC001135907647 781389520 /nfs/dbraw/zinc/38/95/20/781389520.db2.gz YQQCMTPGZRBBDX-SECBINFHSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cc1nnc[n-]1 ZINC001135907378 781389647 /nfs/dbraw/zinc/38/96/47/781389647.db2.gz KILLLIOAQHGVPE-JGVFFNPUSA-N 0 3 268.321 -1.295 20 0 CAADHN C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)Cc1nnc[n-]1 ZINC001135907377 781389827 /nfs/dbraw/zinc/38/98/27/781389827.db2.gz KILLLIOAQHGVPE-HTQZYQBOSA-N 0 3 268.321 -1.295 20 0 CAADHN C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)Cc1nnc[n-]1 ZINC001135907380 781390262 /nfs/dbraw/zinc/39/02/62/781390262.db2.gz KILLLIOAQHGVPE-YUMQZZPRSA-N 0 3 268.321 -1.295 20 0 CAADHN CCn1cc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)nn1 ZINC001136001869 781390992 /nfs/dbraw/zinc/39/09/92/781390992.db2.gz WIOXDWQPBYRROO-SSDOTTSWSA-N 0 3 297.319 -1.799 20 0 CAADHN CC(C)N(C)C(=O)C1(C(=O)NCCNCC(N)=O)CC1 ZINC001135998798 781391309 /nfs/dbraw/zinc/39/13/09/781391309.db2.gz JSZOHTUYSGBNIA-UHFFFAOYSA-N 0 3 284.360 -1.176 20 0 CAADHN CCn1cc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)nn1 ZINC001135994392 781391373 /nfs/dbraw/zinc/39/13/73/781391373.db2.gz RYDQFSMFNUCHEE-QMMMGPOBSA-N 0 3 294.315 -1.577 20 0 CAADHN CCn1cc(C(=O)NCCN[C@@H](C)C(N)=O)nn1 ZINC001135994490 781391491 /nfs/dbraw/zinc/39/14/91/781391491.db2.gz WSQGOYVCSIWCHU-ZETCQYMHSA-N 0 3 254.294 -1.509 20 0 CAADHN CCn1cc(C(=O)NCCN[C@@H]2CCN(C)C2=O)nn1 ZINC001135999077 781391564 /nfs/dbraw/zinc/39/15/64/781391564.db2.gz XOBDDSKRFVEJBM-SECBINFHSA-N 0 3 280.332 -1.152 20 0 CAADHN CCn1cc(C(=O)NCCN[C@H](C)C(=O)NC)nn1 ZINC001135996262 781391789 /nfs/dbraw/zinc/39/17/89/781391789.db2.gz GGNHAFPRDPFKEM-MRVPVSSYSA-N 0 3 268.321 -1.248 20 0 CAADHN Cc1c(C(=O)NCCNCC(N)=O)nnn1C(C)C ZINC001135988587 781392044 /nfs/dbraw/zinc/39/20/44/781392044.db2.gz MXLNEIZVGSKWQG-UHFFFAOYSA-N 0 3 268.321 -1.028 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cn(CC)nn1)C(N)=O ZINC001135999128 781392260 /nfs/dbraw/zinc/39/22/60/781392260.db2.gz ZVGHBBCPWRHMCF-MRVPVSSYSA-N 0 3 268.321 -1.119 20 0 CAADHN COCCOc1cncc(C(=O)NCCNCC(N)=O)c1 ZINC001136073971 781392586 /nfs/dbraw/zinc/39/25/86/781392586.db2.gz UHYUFKPQBVYJRH-UHFFFAOYSA-N 0 3 296.327 -1.089 20 0 CAADHN C[C@@H](NCCNC(=O)C1(N2CCOCC2)CCC1)C(N)=O ZINC001136103725 781392665 /nfs/dbraw/zinc/39/26/65/781392665.db2.gz LIOQPGXWBVNOIC-LLVKDONJSA-N 0 3 298.387 -1.179 20 0 CAADHN CNC(=O)CNCCNC(=O)CCn1cnccc1=O ZINC001136017269 781392996 /nfs/dbraw/zinc/39/29/96/781392996.db2.gz CQUSPHTYBDZYLE-UHFFFAOYSA-N 0 3 281.316 -1.915 20 0 CAADHN CCN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC001090526301 781393127 /nfs/dbraw/zinc/39/31/27/781393127.db2.gz BNXUTMSCFLNDTQ-WCBMZHEXSA-N 0 3 266.301 -1.045 20 0 CAADHN C[C@H](NCCNC(=O)C1(N2CCOCC2)CCC1)C(N)=O ZINC001136103726 781393786 /nfs/dbraw/zinc/39/37/86/781393786.db2.gz LIOQPGXWBVNOIC-NSHDSACASA-N 0 3 298.387 -1.179 20 0 CAADHN CNC(=O)CNCCNC(=O)C1(N2CCOCC2)CCC1 ZINC001136105944 781394044 /nfs/dbraw/zinc/39/40/44/781394044.db2.gz QASPVZFVCRXKFE-UHFFFAOYSA-N 0 3 298.387 -1.307 20 0 CAADHN COC[C@@H](C)CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001136123344 781394778 /nfs/dbraw/zinc/39/47/78/781394778.db2.gz KVKCLFQWPXPAGD-IUCAKERBSA-N 0 3 288.348 -1.052 20 0 CAADHN COC[C@H](C)CC(=O)NCCNCC(=O)NC(N)=O ZINC001136118463 781395058 /nfs/dbraw/zinc/39/50/58/781395058.db2.gz ADFWROREOYKFMC-MRVPVSSYSA-N 0 3 274.321 -1.440 20 0 CAADHN COC[C@H](C)CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001136123345 781395241 /nfs/dbraw/zinc/39/52/41/781395241.db2.gz KVKCLFQWPXPAGD-RKDXNWHRSA-N 0 3 288.348 -1.052 20 0 CAADHN CC(C)=CCN1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090534793 781405575 /nfs/dbraw/zinc/40/55/75/781405575.db2.gz QGNVOZUMCVZRJF-ZJUUUORDSA-N 0 3 255.318 -1.011 20 0 CAADHN Cn1nccc1CCN1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001090534663 781406297 /nfs/dbraw/zinc/40/62/97/781406297.db2.gz PWBLBIDPOPDQJU-QWRGUYRKSA-N 0 3 295.343 -2.001 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCN(CCOC2CCC2)C[C@@H]1O ZINC001090535732 781406317 /nfs/dbraw/zinc/40/63/17/781406317.db2.gz VWLFWQZYJNCBQE-MNOVXSKESA-N 0 3 285.344 -1.408 20 0 CAADHN Cn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)[nH]c1=O ZINC001090536220 781406859 /nfs/dbraw/zinc/40/68/59/781406859.db2.gz CFKMZXLBIWGVEN-GXSJLCMTSA-N 0 3 298.343 -1.327 20 0 CAADHN COCCN1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@H](O)C1 ZINC001090537892 781407433 /nfs/dbraw/zinc/40/74/33/781407433.db2.gz CZTRYDXRTZMERA-MWLCHTKSSA-N 0 3 298.343 -1.063 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)[nH]c1=O ZINC001090536221 781407538 /nfs/dbraw/zinc/40/75/38/781407538.db2.gz CFKMZXLBIWGVEN-KOLCDFICSA-N 0 3 298.343 -1.327 20 0 CAADHN COCCN1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001090537893 781407601 /nfs/dbraw/zinc/40/76/01/781407601.db2.gz CZTRYDXRTZMERA-ONGXEEELSA-N 0 3 298.343 -1.063 20 0 CAADHN NC(=O)CN1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@H](O)C1 ZINC001090553820 781409134 /nfs/dbraw/zinc/40/91/34/781409134.db2.gz RWDCEYAYPWODEF-HTQZYQBOSA-N 0 3 285.279 -1.801 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1 ZINC001090553005 781409149 /nfs/dbraw/zinc/40/91/49/781409149.db2.gz ISAPBDPAPRGTQR-BDAKNGLRSA-N 0 3 299.306 -1.540 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](N[C@@H]2CCC(=O)NC2=O)CN1 ZINC001246187209 781411355 /nfs/dbraw/zinc/41/13/55/781411355.db2.gz NHDCDKDGXMTIJW-YIZRAAEISA-N 0 3 269.301 -1.325 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001090594951 781411954 /nfs/dbraw/zinc/41/19/54/781411954.db2.gz MKUSSGKNFRJXMT-QWRGUYRKSA-N 0 3 295.343 -1.750 20 0 CAADHN O=C(Cc1c[nH]cn1)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001090601476 781411991 /nfs/dbraw/zinc/41/19/91/781411991.db2.gz RSVVIZDCKGVBNA-MNOVXSKESA-N 0 3 268.317 -1.504 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N[C@@H]2CC[C@@H](C(=O)OC)NC2)CN1 ZINC001246184821 781412184 /nfs/dbraw/zinc/41/21/84/781412184.db2.gz OHAIJZQXWDEZGQ-ZNSHCXBVSA-N 0 3 285.344 -1.227 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N[C@H]2CC[C@@H](C(=O)OC)NC2)CN1 ZINC001246184818 781412248 /nfs/dbraw/zinc/41/22/48/781412248.db2.gz OHAIJZQXWDEZGQ-VLEAKVRGSA-N 0 3 285.344 -1.227 20 0 CAADHN CCOC(=O)CN(CCN)c1nn(C)c(=O)n(C)c1=O ZINC001170995004 781413402 /nfs/dbraw/zinc/41/34/02/781413402.db2.gz DRKQMHXBHZHWOF-UHFFFAOYSA-N 0 3 285.304 -2.193 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCN2C(=O)C=CC2=O)CN1 ZINC001246212136 781415595 /nfs/dbraw/zinc/41/55/95/781415595.db2.gz UXXHVMRCLFHNCA-IUCAKERBSA-N 0 3 267.285 -1.596 20 0 CAADHN Cn1ncc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090645541 781416504 /nfs/dbraw/zinc/41/65/04/781416504.db2.gz SZVQUCQQEBYGQF-ONGXEEELSA-N 0 3 283.332 -1.638 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@H]1O)c1cnon1 ZINC001090660358 781419108 /nfs/dbraw/zinc/41/91/08/781419108.db2.gz QOBOKCGKWQJZDE-WCBMZHEXSA-N 0 3 270.289 -1.383 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@H]1O)c1cnon1 ZINC001090660356 781419261 /nfs/dbraw/zinc/41/92/61/781419261.db2.gz QOBOKCGKWQJZDE-PSASIEDQSA-N 0 3 270.289 -1.383 20 0 CAADHN O=C(Cc1ncc[nH]1)N[C@H]1CCN(CCO)C[C@H]1O ZINC001090677999 781422029 /nfs/dbraw/zinc/42/20/29/781422029.db2.gz CUKMSOLNDBJMRR-VHSXEESVSA-N 0 3 268.317 -1.504 20 0 CAADHN CCn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)nn1 ZINC001090678497 781422270 /nfs/dbraw/zinc/42/22/70/781422270.db2.gz HOEDPDZMPUQGCJ-JQWIXIFHSA-N 0 3 297.359 -1.155 20 0 CAADHN O=C(Cc1ncc[nH]1)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001090677997 781422325 /nfs/dbraw/zinc/42/23/25/781422325.db2.gz CUKMSOLNDBJMRR-NXEZZACHSA-N 0 3 268.317 -1.504 20 0 CAADHN O=C(Cc1ncc[nH]1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090678998 781422944 /nfs/dbraw/zinc/42/29/44/781422944.db2.gz KKDFQENWRWOIRH-WDEREUQCSA-N 0 3 282.344 -1.114 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](O)C1 ZINC001090710708 781423848 /nfs/dbraw/zinc/42/38/48/781423848.db2.gz XWTKDRKJGLARAK-NXEZZACHSA-N 0 3 298.343 -1.500 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCC(=O)NC2=O)[C@@H](O)C1 ZINC001090710711 781424857 /nfs/dbraw/zinc/42/48/57/781424857.db2.gz XWTKDRKJGLARAK-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN Cn1cncc1CC(=O)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001090728464 781426442 /nfs/dbraw/zinc/42/64/42/781426442.db2.gz SIWWKKHKTVWFLE-VXGBXAGGSA-N 0 3 282.344 -1.494 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001090723904 781427004 /nfs/dbraw/zinc/42/70/04/781427004.db2.gz ZHUDXHMAVOSEQF-UWVGGRQHSA-N 0 3 298.343 -1.548 20 0 CAADHN Cn1cncc1CC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090728450 781427556 /nfs/dbraw/zinc/42/75/56/781427556.db2.gz SCLGFUDSMCSBNJ-OLZOCXBDSA-N 0 3 296.371 -1.104 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](O)C1 ZINC001090723905 781427605 /nfs/dbraw/zinc/42/76/05/781427605.db2.gz ZHUDXHMAVOSEQF-VHSXEESVSA-N 0 3 298.343 -1.548 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@H](O)C1 ZINC001090723903 781427643 /nfs/dbraw/zinc/42/76/43/781427643.db2.gz ZHUDXHMAVOSEQF-NXEZZACHSA-N 0 3 298.343 -1.548 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@@H](O)C1 ZINC001090769202 781429567 /nfs/dbraw/zinc/42/95/67/781429567.db2.gz CIINDDSDYBCLQE-MNOVXSKESA-N 0 3 297.359 -1.538 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)[C@H](O)C1 ZINC001090769204 781429632 /nfs/dbraw/zinc/42/96/32/781429632.db2.gz CIINDDSDYBCLQE-WDEREUQCSA-N 0 3 297.359 -1.538 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090786773 781430409 /nfs/dbraw/zinc/43/04/09/781430409.db2.gz INFJQJFJZQTQQO-MNOVXSKESA-N 0 3 283.332 -1.524 20 0 CAADHN COC(=O)[C@H](N)CCN[C@H]1CN[C@H](C(=O)OC)C1 ZINC001246335591 781430478 /nfs/dbraw/zinc/43/04/78/781430478.db2.gz RQRKVMARTRWPLJ-HLTSFMKQSA-N 0 3 259.306 -1.630 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001090791682 781431125 /nfs/dbraw/zinc/43/11/25/781431125.db2.gz UWTOUHFLMLLZFS-UWVGGRQHSA-N 0 3 253.306 -1.151 20 0 CAADHN Cc1nccn1CC(=O)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001090808395 781432715 /nfs/dbraw/zinc/43/27/15/781432715.db2.gz KDECYUFQRMUYRZ-RYUDHWBXSA-N 0 3 282.344 -1.265 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001090797115 781432807 /nfs/dbraw/zinc/43/28/07/781432807.db2.gz UEVBXDMGNOFGOF-UWVGGRQHSA-N 0 3 283.328 -1.293 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@@H](O)C1 ZINC001090806630 781433107 /nfs/dbraw/zinc/43/31/07/781433107.db2.gz VMQJUOTXDKIICS-UWVGGRQHSA-N 0 3 296.327 -1.329 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001090792052 781433348 /nfs/dbraw/zinc/43/33/48/781433348.db2.gz ZOOYZTSWTMMHLQ-KOLCDFICSA-N 0 3 280.328 -1.035 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)[C@H](O)C1 ZINC001090797116 781433419 /nfs/dbraw/zinc/43/34/19/781433419.db2.gz UEVBXDMGNOFGOF-VHSXEESVSA-N 0 3 283.328 -1.293 20 0 CAADHN CCN1CC[C@H](NC(=O)c2ccc(=O)n(C)n2)[C@@H](O)C1 ZINC001090792054 781433899 /nfs/dbraw/zinc/43/38/99/781433899.db2.gz ZOOYZTSWTMMHLQ-ONGXEEELSA-N 0 3 280.328 -1.035 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](O)C1 ZINC001090792135 781433965 /nfs/dbraw/zinc/43/39/65/781433965.db2.gz CPXMHTICDYTFQI-NXEZZACHSA-N 0 3 298.343 -1.548 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001090792138 781434094 /nfs/dbraw/zinc/43/40/94/781434094.db2.gz CPXMHTICDYTFQI-ZJUUUORDSA-N 0 3 298.343 -1.548 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](O)C1 ZINC001090795422 781434259 /nfs/dbraw/zinc/43/42/59/781434259.db2.gz WRCNOIQVTLVXLY-RKDXNWHRSA-N 0 3 284.316 -1.891 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090832615 781435491 /nfs/dbraw/zinc/43/54/91/781435491.db2.gz FUSXTHMNJDXOMF-SCZZXKLOSA-N 0 3 296.331 -2.052 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cn(CC(N)=O)nn2)[C@@H](O)C1 ZINC001090832617 781435564 /nfs/dbraw/zinc/43/55/64/781435564.db2.gz FUSXTHMNJDXOMF-WPRPVWTQSA-N 0 3 296.331 -2.052 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 ZINC001090838002 781435608 /nfs/dbraw/zinc/43/56/08/781435608.db2.gz YWGUYRWVYLRRKG-MWLCHTKSSA-N 0 3 282.344 -1.091 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n2C)[C@@H](O)C1 ZINC001090838000 781435621 /nfs/dbraw/zinc/43/56/21/781435621.db2.gz YWGUYRWVYLRRKG-KOLCDFICSA-N 0 3 282.344 -1.091 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cn(C)c(=O)n2C)[C@H](O)C1 ZINC001090837995 781435797 /nfs/dbraw/zinc/43/57/97/781435797.db2.gz YWGUYRWVYLRRKG-GXSJLCMTSA-N 0 3 282.344 -1.091 20 0 CAADHN O=C(Cn1ccnc1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090848620 781436937 /nfs/dbraw/zinc/43/69/37/781436937.db2.gz GTLILPOULHDMGC-RYUDHWBXSA-N 0 3 282.344 -1.183 20 0 CAADHN O=C(Cn1ccnc1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090848619 781437007 /nfs/dbraw/zinc/43/70/07/781437007.db2.gz GTLILPOULHDMGC-NWDGAFQWSA-N 0 3 282.344 -1.183 20 0 CAADHN Cc1nonc1C(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090842583 781437107 /nfs/dbraw/zinc/43/71/07/781437107.db2.gz BXHVSSBPIJRUQI-VHSXEESVSA-N 0 3 284.316 -1.075 20 0 CAADHN O=C(Cn1ccnc1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090848618 781437195 /nfs/dbraw/zinc/43/71/95/781437195.db2.gz GTLILPOULHDMGC-NEPJUHHUSA-N 0 3 282.344 -1.183 20 0 CAADHN O=C(Cn1ccnc1)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001090848402 781437616 /nfs/dbraw/zinc/43/76/16/781437616.db2.gz GCNFUHPCNXSELV-GHMZBOCLSA-N 0 3 268.317 -1.573 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCC2(C1)OCCO2 ZINC001160471040 781441118 /nfs/dbraw/zinc/44/11/18/781441118.db2.gz NHPAYOKAMLAFGA-SNVBAGLBSA-N 0 3 283.328 -1.708 20 0 CAADHN C[C@H](O)CN1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144771 781441942 /nfs/dbraw/zinc/44/19/42/781441942.db2.gz TWGKQIGEYBKWIC-QWRGUYRKSA-N 0 3 298.347 -1.739 20 0 CAADHN C[C@@H](O)CN1CCCO[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144770 781442100 /nfs/dbraw/zinc/44/21/00/781442100.db2.gz TWGKQIGEYBKWIC-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN C[C@@H](O)CN1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144769 781442127 /nfs/dbraw/zinc/44/21/27/781442127.db2.gz TWGKQIGEYBKWIC-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN CN(CC(=O)NCCCc1c[n-][nH]c1=O)C(N)=[NH2+] ZINC001144141459 781444659 /nfs/dbraw/zinc/44/46/59/781444659.db2.gz AKJQDKWFWOWKBW-SSDOTTSWSA-N 0 3 254.294 -1.560 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001144333617 781449969 /nfs/dbraw/zinc/44/99/69/781449969.db2.gz UHZHXNMQEXNIDJ-BDAKNGLRSA-N 0 3 284.316 -1.627 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N(C)C[C@@H]2CNCCO2)CN1 ZINC001246560190 781453157 /nfs/dbraw/zinc/45/31/57/781453157.db2.gz UXRVRNUVXUKLTL-VWYCJHECSA-N 0 3 257.334 -1.190 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640631 781457588 /nfs/dbraw/zinc/45/75/88/781457588.db2.gz KDMDOHHRPOYFAK-BLBZPCKPSA-N 0 3 289.357 -1.255 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647666 781458502 /nfs/dbraw/zinc/45/85/02/781458502.db2.gz QZUGLBBKVCIEPE-NXEZZACHSA-N 0 3 297.359 -1.405 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640632 781458563 /nfs/dbraw/zinc/45/85/63/781458563.db2.gz KDMDOHHRPOYFAK-MGOSUKFUSA-N 0 3 289.357 -1.255 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001160705197 781464017 /nfs/dbraw/zinc/46/40/17/781464017.db2.gz USKYJCOFYYYGTA-HTQZYQBOSA-N 0 3 287.320 -2.525 20 0 CAADHN C[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3nnn[n-]3)C[C@H]2C1 ZINC001160703868 781464373 /nfs/dbraw/zinc/46/43/73/781464373.db2.gz GPPLZENJGQNVTF-YIZRAAEISA-N 0 3 265.321 -1.911 20 0 CAADHN C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3nnn[n-]3)C[C@H]2C1 ZINC001160703868 781464380 /nfs/dbraw/zinc/46/43/80/781464380.db2.gz GPPLZENJGQNVTF-YIZRAAEISA-N 0 3 265.321 -1.911 20 0 CAADHN C[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3nn[n-]n3)C[C@H]2C1 ZINC001160703868 781464387 /nfs/dbraw/zinc/46/43/87/781464387.db2.gz GPPLZENJGQNVTF-YIZRAAEISA-N 0 3 265.321 -1.911 20 0 CAADHN C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3nn[n-]n3)C[C@H]2C1 ZINC001160703868 781464391 /nfs/dbraw/zinc/46/43/91/781464391.db2.gz GPPLZENJGQNVTF-YIZRAAEISA-N 0 3 265.321 -1.911 20 0 CAADHN COc1c(C(=O)NCCN[C@H]2CCN(C)C2=O)cnn1C ZINC001149209470 781465229 /nfs/dbraw/zinc/46/52/29/781465229.db2.gz UVUAMGNIGKNMMX-JTQLQIEISA-N 0 3 295.343 -1.021 20 0 CAADHN COc1c(C(=O)NCCN[C@@H]2CCN(C)C2=O)cnn1C ZINC001149209471 781466206 /nfs/dbraw/zinc/46/62/06/781466206.db2.gz UVUAMGNIGKNMMX-SNVBAGLBSA-N 0 3 295.343 -1.021 20 0 CAADHN CN1C(=O)CN(CC(=O)NCCNCCF)C1=O ZINC001147645451 781516001 /nfs/dbraw/zinc/51/60/01/781516001.db2.gz VGLXVEOORISSLF-UHFFFAOYSA-N 0 3 260.269 -1.444 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](N2CC3(C2)CNCCO3)CN1 ZINC001246616479 781472590 /nfs/dbraw/zinc/47/25/90/781472590.db2.gz ARDONJCMRPSPCQ-MNOVXSKESA-N 0 3 269.345 -1.046 20 0 CAADHN CN1CC[C@@H](CNC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)C1 ZINC001144906405 781473675 /nfs/dbraw/zinc/47/36/75/781473675.db2.gz FBPKICHWWZFMOX-QCLAVDOMSA-N 0 3 290.316 -3.302 20 0 CAADHN C[C@H](CN(C)C)NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144907309 781473744 /nfs/dbraw/zinc/47/37/44/781473744.db2.gz XGSDPIBTGPWAEW-FNCVBFRFSA-N 0 3 278.305 -3.303 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144892537 781474883 /nfs/dbraw/zinc/47/48/83/781474883.db2.gz IZZVMUZNHBOFMM-LPEHRKFASA-N 0 3 292.332 -2.912 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@@H](N)Cc2c[nH]cn2)CCN1C ZINC001160871217 781479706 /nfs/dbraw/zinc/47/97/06/781479706.db2.gz RNYBSIMSVADFNP-WDEREUQCSA-N 0 3 295.343 -1.405 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@@H](N)Cc2cnc[nH]2)CCN1C ZINC001160871217 781479712 /nfs/dbraw/zinc/47/97/12/781479712.db2.gz RNYBSIMSVADFNP-WDEREUQCSA-N 0 3 295.343 -1.405 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCn2nncc2C1 ZINC001160832189 781480638 /nfs/dbraw/zinc/48/06/38/781480638.db2.gz HGQAYSMDUAPQHM-SNVBAGLBSA-N 0 3 278.316 -2.049 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)COCc1ncnn1C ZINC001146200829 781481641 /nfs/dbraw/zinc/48/16/41/781481641.db2.gz PGAFZJZVXNIZCY-VIFPVBQESA-N 0 3 298.347 -1.828 20 0 CAADHN C[C@@H](NCCNC(=O)COCc1ncnn1C)C(N)=O ZINC001146200712 781481829 /nfs/dbraw/zinc/48/18/29/781481829.db2.gz NRNYHLJZXYGQJX-MRVPVSSYSA-N 0 3 284.320 -2.089 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)COCc1ncnn1C ZINC001146200826 781481873 /nfs/dbraw/zinc/48/18/73/781481873.db2.gz PGAFZJZVXNIZCY-SECBINFHSA-N 0 3 298.347 -1.828 20 0 CAADHN CNC(=O)CNCCNC(=O)COCc1nncn1C ZINC001146199740 781482381 /nfs/dbraw/zinc/48/23/81/781482381.db2.gz BUGQUUYLBXTKCU-UHFFFAOYSA-N 0 3 284.320 -2.217 20 0 CAADHN Cc1nonc1CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001146256425 781483433 /nfs/dbraw/zinc/48/34/33/781483433.db2.gz VEWLVNGQFCLYGO-SECBINFHSA-N 0 3 281.316 -1.095 20 0 CAADHN Cc1nonc1CC(=O)NCCN[C@H]1CCCNC1=O ZINC001146256426 781483588 /nfs/dbraw/zinc/48/35/88/781483588.db2.gz VEWLVNGQFCLYGO-VIFPVBQESA-N 0 3 281.316 -1.095 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1nonc1C ZINC001146238202 781483650 /nfs/dbraw/zinc/48/36/50/781483650.db2.gz FUGWWBMGKQGNNK-UHFFFAOYSA-N 0 3 255.278 -1.628 20 0 CAADHN Cc1nonc1CC(=O)NCCNCC(=O)N(C)C ZINC001146239397 781483686 /nfs/dbraw/zinc/48/36/86/781483686.db2.gz VBDCOCHWOQFEMD-UHFFFAOYSA-N 0 3 269.305 -1.285 20 0 CAADHN Cc1nonc1CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001146244184 781483700 /nfs/dbraw/zinc/48/37/00/781483700.db2.gz MLEPPSXGXJUVBP-SSDOTTSWSA-N 0 3 298.303 -1.790 20 0 CAADHN Cc1nonc1CC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001146244082 781483833 /nfs/dbraw/zinc/48/38/33/781483833.db2.gz JPZGWVPQEMVPOQ-VIFPVBQESA-N 0 3 281.316 -1.143 20 0 CAADHN Cc1nonc1CC(=O)NCCNCC(=O)NC(N)=O ZINC001146237792 781484135 /nfs/dbraw/zinc/48/41/35/781484135.db2.gz AXFSVFSZLMDAFD-UHFFFAOYSA-N 0 3 284.276 -2.179 20 0 CAADHN COc1cccc(C(=O)NCCNCC(N)=O)n1 ZINC001146376748 781484236 /nfs/dbraw/zinc/48/42/36/781484236.db2.gz OESNJPWWQVAKBQ-UHFFFAOYSA-N 0 3 252.274 -1.105 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@]2(C)C1 ZINC001091555639 781484877 /nfs/dbraw/zinc/48/48/77/781484877.db2.gz LIOJFZHEAXDBJG-RULNRJAQSA-N 0 3 296.371 -1.094 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnc(OC)nc1 ZINC001146509370 781485237 /nfs/dbraw/zinc/48/52/37/781485237.db2.gz QURRRNSOOYWDNN-UHFFFAOYSA-N 0 3 267.289 -1.449 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnc(OC)nc1 ZINC001146509305 781485494 /nfs/dbraw/zinc/48/54/94/781485494.db2.gz OPMFAALGFGHVEJ-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN Cc1cnoc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001146527869 781485782 /nfs/dbraw/zinc/48/57/82/781485782.db2.gz GVBAXWFWNVNUCQ-ZETCQYMHSA-N 0 3 283.288 -1.114 20 0 CAADHN Cc1cc(=O)c(C(=O)NCCN[C@H](C)C(N)=O)c[nH]1 ZINC001146550731 781485813 /nfs/dbraw/zinc/48/58/13/781485813.db2.gz UVNCDASGICBSCN-MRVPVSSYSA-N 0 3 266.301 -1.123 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@]2(C)C1 ZINC001091555638 781485868 /nfs/dbraw/zinc/48/58/68/781485868.db2.gz LIOJFZHEAXDBJG-BFVZDQMLSA-N 0 3 296.371 -1.094 20 0 CAADHN Cc1cc(=O)c(C(=O)NCCN[C@@H]2CCNC2=O)c[nH]1 ZINC001146528626 781485875 /nfs/dbraw/zinc/48/58/75/781485875.db2.gz PMPYIGJMXZXRSB-SNVBAGLBSA-N 0 3 278.312 -1.109 20 0 CAADHN Cc1cc(=O)c(C(=O)NCCN[C@H]2CCNC2=O)c[nH]1 ZINC001146528625 781485892 /nfs/dbraw/zinc/48/58/92/781485892.db2.gz PMPYIGJMXZXRSB-JTQLQIEISA-N 0 3 278.312 -1.109 20 0 CAADHN Cc1cnoc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001146527868 781485982 /nfs/dbraw/zinc/48/59/82/781485982.db2.gz GVBAXWFWNVNUCQ-SSDOTTSWSA-N 0 3 283.288 -1.114 20 0 CAADHN CN1CCC[C@@H]2CN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C[C@H]21 ZINC001146621326 781488074 /nfs/dbraw/zinc/48/80/74/781488074.db2.gz MBTAJOHRLINFAM-DKTYCGPESA-N 0 3 296.367 -1.048 20 0 CAADHN CN1CCC[C@H]2CN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C[C@H]21 ZINC001146621322 781488289 /nfs/dbraw/zinc/48/82/89/781488289.db2.gz MBTAJOHRLINFAM-BTXBGFNFSA-N 0 3 296.367 -1.048 20 0 CAADHN C[C@H](NCCNC(=O)CN1C(=O)NC(=O)C1(C)C)C(N)=O ZINC001146661333 781489054 /nfs/dbraw/zinc/48/90/54/781489054.db2.gz UXPQYVDUMRFIGU-ZETCQYMHSA-N 0 3 299.331 -2.104 20 0 CAADHN CC1(C)C(=O)NC(=O)N1CC(=O)NCCNCCF ZINC001146660974 781489713 /nfs/dbraw/zinc/48/97/13/781489713.db2.gz MSMFLOJACNHJBJ-UHFFFAOYSA-N 0 3 274.296 -1.008 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1cnccn1)C(N)=O ZINC001146727317 781490860 /nfs/dbraw/zinc/49/08/60/781490860.db2.gz FJKYTFNXDLZCAX-SECBINFHSA-N 0 3 265.317 -1.011 20 0 CAADHN COc1ccc(C(=O)NCCN[C@H](C)C(N)=O)nn1 ZINC001146668481 781490924 /nfs/dbraw/zinc/49/09/24/781490924.db2.gz PZXAEXYWXWJPQP-SSDOTTSWSA-N 0 3 267.289 -1.322 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccc(OC)nn1 ZINC001146668385 781490972 /nfs/dbraw/zinc/49/09/72/781490972.db2.gz NTAVTVFUAVHXOL-UHFFFAOYSA-N 0 3 281.316 -1.059 20 0 CAADHN COc1ccc(C(=O)NCCNCC(=O)N(C)C)nn1 ZINC001146668453 781490985 /nfs/dbraw/zinc/49/09/85/781490985.db2.gz OUUZNUSZTYRREL-UHFFFAOYSA-N 0 3 281.316 -1.107 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1cnccn1 ZINC001146735737 781491125 /nfs/dbraw/zinc/49/11/25/781491125.db2.gz BROKOVCZEDMNJV-UHFFFAOYSA-N 0 3 265.317 -1.139 20 0 CAADHN O=C(CCCn1cncn1)NCCN[C@H]1CCNC1=O ZINC001146795040 781491688 /nfs/dbraw/zinc/49/16/88/781491688.db2.gz BUQJCRNGCVJEQW-JTQLQIEISA-N 0 3 280.332 -1.347 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CCCn2cncn2)C1=O ZINC001146801104 781491969 /nfs/dbraw/zinc/49/19/69/781491969.db2.gz DSJAAQDWMCMFEE-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCCn1cncn1 ZINC001146797087 781492005 /nfs/dbraw/zinc/49/20/05/781492005.db2.gz XKBOJKJFOUABMZ-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN O=C(CCCn1cncn1)NCCN[C@@H]1CCNC1=O ZINC001146795042 781492436 /nfs/dbraw/zinc/49/24/36/781492436.db2.gz BUQJCRNGCVJEQW-SNVBAGLBSA-N 0 3 280.332 -1.347 20 0 CAADHN CCC(=O)N1CC[C@@H](C(=O)NCCNCC(=O)NC)C1 ZINC001146896966 781492801 /nfs/dbraw/zinc/49/28/01/781492801.db2.gz ZLFFAMRCIAHENH-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CCC(=O)N1CC[C@@H](C(=O)NCCNCC(N)=O)C1 ZINC001146902470 781493849 /nfs/dbraw/zinc/49/38/49/781493849.db2.gz MGPKQFKERFEFGC-SECBINFHSA-N 0 3 270.333 -1.564 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1CCC(=O)NC1=O)C(N)=O ZINC001146879250 781494002 /nfs/dbraw/zinc/49/40/02/781494002.db2.gz XTQSVKDRLJXMPN-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN CCC(=O)N1CC[C@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001146903097 781494205 /nfs/dbraw/zinc/49/42/05/781494205.db2.gz RNPKSLUCTASFQY-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CCC(=O)N1CC[C@H](C(=O)NCCNCC(N)=O)C1 ZINC001146902471 781494607 /nfs/dbraw/zinc/49/46/07/781494607.db2.gz MGPKQFKERFEFGC-VIFPVBQESA-N 0 3 270.333 -1.564 20 0 CAADHN CC(=O)N1CC[C@](C)(C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001146987193 781495335 /nfs/dbraw/zinc/49/53/35/781495335.db2.gz WDKXXSUHKQTOLH-FZMZJTMJSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(=O)N1CC[C@@](C)(C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001146987192 781495405 /nfs/dbraw/zinc/49/54/05/781495405.db2.gz WDKXXSUHKQTOLH-BXUZGUMPSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)c1cscn1 ZINC001146918652 781495639 /nfs/dbraw/zinc/49/56/39/781495639.db2.gz RTSMNZSBNVRUKG-UHFFFAOYSA-N 0 3 285.329 -1.936 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)c1cscn1)C(N)=O ZINC001146918343 781495806 /nfs/dbraw/zinc/49/58/06/781495806.db2.gz DUBBXIJWBSNPQY-ZETCQYMHSA-N 0 3 299.356 -1.548 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001146980049 781496021 /nfs/dbraw/zinc/49/60/21/781496021.db2.gz MZPDAHDRVIEOTC-VIFPVBQESA-N 0 3 279.344 -1.034 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001146980049 781496025 /nfs/dbraw/zinc/49/60/25/781496025.db2.gz MZPDAHDRVIEOTC-VIFPVBQESA-N 0 3 279.344 -1.034 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001146977096 781496054 /nfs/dbraw/zinc/49/60/54/781496054.db2.gz BPGIDJMOKLOIRO-MRVPVSSYSA-N 0 3 265.317 -1.294 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001146977096 781496058 /nfs/dbraw/zinc/49/60/58/781496058.db2.gz BPGIDJMOKLOIRO-MRVPVSSYSA-N 0 3 265.317 -1.294 20 0 CAADHN Cc1nc[nH]c1CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001149123523 781496072 /nfs/dbraw/zinc/49/60/72/781496072.db2.gz KNRLUDBMQPIHDV-VIFPVBQESA-N 0 3 293.327 -1.228 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC001147007753 781497899 /nfs/dbraw/zinc/49/78/99/781497899.db2.gz AHMWAUDPRXNHNM-NOZJJQNGSA-N 0 3 298.343 -1.426 20 0 CAADHN C[C@@H](NCCNC(=O)CC(=O)NCC1CC1)C(N)=O ZINC001147084491 781498468 /nfs/dbraw/zinc/49/84/68/781498468.db2.gz NHJLIINPJMTTOJ-MRVPVSSYSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](NCCNC(=O)c1cn([C@H]2CCOC2)nn1)C(N)=O ZINC001147015920 781499464 /nfs/dbraw/zinc/49/94/64/781499464.db2.gz PJISFRIRPBJBAR-IUCAKERBSA-N 0 3 296.331 -1.567 20 0 CAADHN O=C(CC(=O)NCC1CC1)NCCNCC(=O)N1CCC1 ZINC001147084099 781499505 /nfs/dbraw/zinc/49/95/05/781499505.db2.gz HLEDAJACCRLZFX-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn([C@H]2CCOC2)nn1)C(N)=O ZINC001147015917 781499664 /nfs/dbraw/zinc/49/96/64/781499664.db2.gz PJISFRIRPBJBAR-BDAKNGLRSA-N 0 3 296.331 -1.567 20 0 CAADHN COCCCOCC(=O)NCCN[C@@H]1CCNC1=O ZINC001147061418 781500160 /nfs/dbraw/zinc/50/01/60/781500160.db2.gz AYQBWRDULQXEBQ-SNVBAGLBSA-N 0 3 273.333 -1.366 20 0 CAADHN COCCCOCC(=O)NCCNCC(=O)NC(N)=O ZINC001147062268 781500608 /nfs/dbraw/zinc/50/06/08/781500608.db2.gz MUFLMDIGXWSYQZ-UHFFFAOYSA-N 0 3 290.320 -2.060 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)COCCCOC ZINC001147064851 781500671 /nfs/dbraw/zinc/50/06/71/781500671.db2.gz QREMJKWFSKVPPV-JTQLQIEISA-N 0 3 275.349 -1.120 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CC(=O)NCC2CC2)C1=O ZINC001147092976 781502271 /nfs/dbraw/zinc/50/22/71/781502271.db2.gz RPJZCFHWZDSRHN-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc(Cn2cccn2)on1 ZINC001147142158 781502515 /nfs/dbraw/zinc/50/25/15/781502515.db2.gz AXMMKMNDFMGIHM-UHFFFAOYSA-N 0 3 292.299 -1.276 20 0 CAADHN CC[C@@H](NCCNC(=O)CC(=O)NCC1CC1)C(N)=O ZINC001147092944 781502686 /nfs/dbraw/zinc/50/26/86/781502686.db2.gz PXYUJMCYLMUXQE-SNVBAGLBSA-N 0 3 284.360 -1.128 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CC(=O)NCC1CC1 ZINC001147092983 781502807 /nfs/dbraw/zinc/50/28/07/781502807.db2.gz RSHDTFASCVKMTD-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN NC(=O)CNCCNC(=O)CCOC1CCOCC1 ZINC001147208336 781502943 /nfs/dbraw/zinc/50/29/43/781502943.db2.gz BDBMBUVUIFXFSX-UHFFFAOYSA-N 0 3 273.333 -1.237 20 0 CAADHN CN(C)C(=O)C1(C(=O)NCCNCC(=O)NC(N)=O)CC1 ZINC001147301118 781503729 /nfs/dbraw/zinc/50/37/29/781503729.db2.gz OPDVCMQCJPRSAI-UHFFFAOYSA-N 0 3 299.331 -2.245 20 0 CAADHN CN(C)C(=O)C1(C(=O)NCCNCC(=O)NC2CC2)CC1 ZINC001147301313 781504054 /nfs/dbraw/zinc/50/40/54/781504054.db2.gz SPZXGAQVIJVFBP-UHFFFAOYSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)C(=O)C1(C(=O)NCCN[C@H]2CCNC2=O)CC1 ZINC001147301325 781504199 /nfs/dbraw/zinc/50/41/99/781504199.db2.gz TZBSHESRVITJRU-VIFPVBQESA-N 0 3 282.344 -1.551 20 0 CAADHN CN(C)C(=O)C1(C(=O)NCCN[C@@H]2CCNC2=O)CC1 ZINC001147301324 781504432 /nfs/dbraw/zinc/50/44/32/781504432.db2.gz TZBSHESRVITJRU-SECBINFHSA-N 0 3 282.344 -1.551 20 0 CAADHN CCc1noc(COCC(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001147257985 781504705 /nfs/dbraw/zinc/50/47/05/781504705.db2.gz QLYHLWMYPUTJAU-QMMMGPOBSA-N 0 3 299.331 -1.272 20 0 CAADHN CN(C)C(=O)C1(C(=O)NCCN[C@@H]2CCCNC2=O)CC1 ZINC001147301081 781504736 /nfs/dbraw/zinc/50/47/36/781504736.db2.gz MVLGXSUQYQXDON-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nnc[n-]1 ZINC001147271896 781506571 /nfs/dbraw/zinc/50/65/71/781506571.db2.gz XALVGHBBVYPUJD-ZETCQYMHSA-N 0 3 297.319 -2.103 20 0 CAADHN O=C(Cc1nnc[n-]1)NCC[NH2+][C@H]1CCCNC1=O ZINC001147278404 781507619 /nfs/dbraw/zinc/50/76/19/781507619.db2.gz ZOLUJGQFNWXWAT-QMMMGPOBSA-N 0 3 266.305 -1.668 20 0 CAADHN C[C@@H](NCCNC(=O)C1(C(=O)N(C)C)CC1)C(N)=O ZINC001147307303 781507903 /nfs/dbraw/zinc/50/79/03/781507903.db2.gz JJIHYMUZYXBRBE-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN NC(=O)N1CCCC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001147320967 781508816 /nfs/dbraw/zinc/50/88/16/781508816.db2.gz LBVHANVKUFEZLI-NXEZZACHSA-N 0 3 297.359 -1.486 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCCN1C(N)=O)C(N)=O ZINC001147320995 781508848 /nfs/dbraw/zinc/50/88/48/781508848.db2.gz LPLGYVABMSWFRU-IUCAKERBSA-N 0 3 285.348 -1.501 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147321276 781509092 /nfs/dbraw/zinc/50/90/92/781509092.db2.gz NCGBKNPICFLAEN-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147321809 781509116 /nfs/dbraw/zinc/50/91/16/781509116.db2.gz SGYQILNPEXRECL-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCNCC(N)=O ZINC001147364486 781509285 /nfs/dbraw/zinc/50/92/85/781509285.db2.gz XKZCYYYKUASEHE-SSDOTTSWSA-N 0 3 298.307 -3.631 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147320795 781509377 /nfs/dbraw/zinc/50/93/77/781509377.db2.gz IYBVQJAFPFVKHD-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147321052 781509428 /nfs/dbraw/zinc/50/94/28/781509428.db2.gz MOCIVDXAPXQRJT-MRVPVSSYSA-N 0 3 271.321 -1.889 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001147321294 781509442 /nfs/dbraw/zinc/50/94/42/781509442.db2.gz NSOTXECXSHZYAO-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCCCN1C(N)=O)C(N)=O ZINC001147322004 781509476 /nfs/dbraw/zinc/50/94/76/781509476.db2.gz VBWIAHCFTGCNFW-NXEZZACHSA-N 0 3 299.375 -1.111 20 0 CAADHN CC(=O)N[C@](C)(C(=O)NCCN[C@@H](C)C(N)=O)C1CC1 ZINC001147459711 781509868 /nfs/dbraw/zinc/50/98/68/781509868.db2.gz QOFSDLADYXNCMD-SDBXPKJASA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)CC(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001147403029 781510617 /nfs/dbraw/zinc/51/06/17/781510617.db2.gz CAUGMEWMBXXVAG-UHFFFAOYSA-N 0 3 299.371 -1.334 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001147383279 781510669 /nfs/dbraw/zinc/51/06/69/781510669.db2.gz XKZKBGMGGYECQW-UHFFFAOYSA-N 0 3 294.311 -1.335 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H](C)N1CCCC1=O ZINC001147606022 781513939 /nfs/dbraw/zinc/51/39/39/781513939.db2.gz HQHQYNGAURZGJG-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NCCN[C@@H]1CCNC1=O ZINC001149433378 781514151 /nfs/dbraw/zinc/51/41/51/781514151.db2.gz RWEMRYJVFACEOH-MRVPVSSYSA-N 0 3 292.361 -2.528 20 0 CAADHN Cc1nc2nccc(C(=O)NCCN[C@H](C)C(N)=O)n2n1 ZINC001147644012 781515180 /nfs/dbraw/zinc/51/51/80/781515180.db2.gz DGRZNFRRMFIUSN-SSDOTTSWSA-N 0 3 291.315 -1.374 20 0 CAADHN Cc1nc[nH]c1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001149124971 781515221 /nfs/dbraw/zinc/51/52/21/781515221.db2.gz ZDXWFVGWBHUVEA-SECBINFHSA-N 0 3 265.317 -1.145 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccnc2nc(C)nn21 ZINC001147639663 781515238 /nfs/dbraw/zinc/51/52/38/781515238.db2.gz WASAKDKWRPGPRV-UHFFFAOYSA-N 0 3 291.315 -1.502 20 0 CAADHN C[C@@H](CC(=O)NCCNCC(N)=O)N1CCCC1=O ZINC001147606877 781515297 /nfs/dbraw/zinc/51/52/97/781515297.db2.gz QZHFJMYGEINZDD-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CN1CCCC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1=O ZINC001147633969 781515347 /nfs/dbraw/zinc/51/53/47/781515347.db2.gz CCDJLEOHJOBBQZ-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CN1CCCC[C@@H](C(=O)NCCNCC(N)=O)C1=O ZINC001147634304 781515400 /nfs/dbraw/zinc/51/54/00/781515400.db2.gz HSXJTJZWRQRWBC-VIFPVBQESA-N 0 3 270.333 -1.564 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCCN(C)C1=O)C(N)=O ZINC001147634600 781515704 /nfs/dbraw/zinc/51/57/04/781515704.db2.gz OOUSUVTVQDWIGX-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCCN(C)C1=O)C(N)=O ZINC001147634603 781516089 /nfs/dbraw/zinc/51/60/89/781516089.db2.gz OOUSUVTVQDWIGX-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1CC(=O)N(C)C1=O ZINC001147645457 781516101 /nfs/dbraw/zinc/51/61/01/781516101.db2.gz VQHFBKOTZPJPMN-MRVPVSSYSA-N 0 3 299.331 -2.279 20 0 CAADHN CN1CCCC[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1=O ZINC001147633968 781516106 /nfs/dbraw/zinc/51/61/06/781516106.db2.gz CCDJLEOHJOBBQZ-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001147671324 781516382 /nfs/dbraw/zinc/51/63/82/781516382.db2.gz JPQRZPCHGVKQNZ-SECBINFHSA-N 0 3 279.344 -1.034 20 0 CAADHN C[C@H](NCCNC(=O)c1cccn2c1n[nH]c2=O)C(N)=O ZINC001147664616 781517093 /nfs/dbraw/zinc/51/70/93/781517093.db2.gz JJAXIUBAUFREQT-ZETCQYMHSA-N 0 3 292.299 -1.372 20 0 CAADHN COCCN1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099888308 781517526 /nfs/dbraw/zinc/51/75/26/781517526.db2.gz SLJVBSAPMLQBAI-VHSXEESVSA-N 0 3 287.360 -1.304 20 0 CAADHN COCCN1CC[C@H](NC(=O)C(C)(C)C(N)=O)[C@@H](O)C1 ZINC001099888307 781517598 /nfs/dbraw/zinc/51/75/98/781517598.db2.gz SLJVBSAPMLQBAI-UWVGGRQHSA-N 0 3 287.360 -1.304 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001147680366 781517747 /nfs/dbraw/zinc/51/77/47/781517747.db2.gz WLKZCWUUGBKFJM-QMMMGPOBSA-N 0 3 265.317 -1.294 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001147651237 781519127 /nfs/dbraw/zinc/51/91/27/781519127.db2.gz YFISVSCHMPKSBI-MRVPVSSYSA-N 0 3 299.331 -2.150 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)c1nccnc1C(N)=O ZINC001147754280 781520260 /nfs/dbraw/zinc/52/02/60/781520260.db2.gz ZZRGIGSXUWSIBS-VIFPVBQESA-N 0 3 293.327 -1.022 20 0 CAADHN CC(C)(C)[C@H](NC(N)=O)C(=O)NCCNCC(N)=O ZINC001147778983 781521381 /nfs/dbraw/zinc/52/13/81/781521381.db2.gz VAQFDUPDBLYBFC-MRVPVSSYSA-N 0 3 273.337 -1.740 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CC[C@]3(C2)CNCCO3)CN1 ZINC001246988398 781521448 /nfs/dbraw/zinc/52/14/48/781521448.db2.gz PWVQMKPJOXTXSA-GMXVVIOVSA-N 0 3 269.345 -1.046 20 0 CAADHN C[C@@H](NCCNC(=O)CS(=O)(=O)C(C)(C)C)C(N)=O ZINC001147771557 781521955 /nfs/dbraw/zinc/52/19/55/781521955.db2.gz RFVJGEAYYHGPSJ-MRVPVSSYSA-N 0 3 293.389 -1.221 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149222548 781521964 /nfs/dbraw/zinc/52/19/64/781521964.db2.gz ZWSFUZUNXIPFCD-LBPRGKRZSA-N 0 3 287.360 -1.336 20 0 CAADHN CC(C)(C)[C@@H](NC(N)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001147786415 781522768 /nfs/dbraw/zinc/52/27/68/781522768.db2.gz CYPKPVDNLCLGDG-IUCAKERBSA-N 0 3 299.375 -1.336 20 0 CAADHN CC(C)(C)[C@H](NC(N)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001147786416 781522939 /nfs/dbraw/zinc/52/29/39/781522939.db2.gz CYPKPVDNLCLGDG-RKDXNWHRSA-N 0 3 299.375 -1.336 20 0 CAADHN CNC(=O)CN1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000044503155 781524847 /nfs/dbraw/zinc/52/48/47/781524847.db2.gz IRKNIRZPPYTVBA-NXEZZACHSA-N 0 3 284.316 -1.022 20 0 CAADHN Cn1cncc1CC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001147877547 781525115 /nfs/dbraw/zinc/52/51/15/781525115.db2.gz LFYSNDUAEBSALB-NSHDSACASA-N 0 3 279.344 -1.101 20 0 CAADHN Cn1cncc1CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001147871987 781525264 /nfs/dbraw/zinc/52/52/64/781525264.db2.gz WFLFVSXEDBVKQA-LLVKDONJSA-N 0 3 279.344 -1.053 20 0 CAADHN Cn1cncc1CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001147871653 781525664 /nfs/dbraw/zinc/52/56/64/781525664.db2.gz GYIJVTDZDPXTFD-JTQLQIEISA-N 0 3 293.327 -1.526 20 0 CAADHN Cn1nnc2ccc(C(=O)NCCNCC(N)=O)cc21 ZINC001149223998 781526293 /nfs/dbraw/zinc/52/62/93/781526293.db2.gz VZBUKJBWTCMOQZ-UHFFFAOYSA-N 0 3 276.300 -1.227 20 0 CAADHN COc1cc[nH]c(=O)c1C(=O)NCCN[C@@H](C)C(N)=O ZINC001148010247 781526320 /nfs/dbraw/zinc/52/63/20/781526320.db2.gz IYTJVDDPRBGNSB-ZETCQYMHSA-N 0 3 282.300 -1.011 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccc(N(C)C)nn1 ZINC001148121255 781526461 /nfs/dbraw/zinc/52/64/61/781526461.db2.gz KJJBCRSWDQSXPQ-UHFFFAOYSA-N 0 3 294.359 -1.002 20 0 CAADHN CN(C)c1ccncc1C(=O)NCCNCC(N)=O ZINC001148051800 781527007 /nfs/dbraw/zinc/52/70/07/781527007.db2.gz WJUOVZKDGGYEAJ-UHFFFAOYSA-N 0 3 265.317 -1.048 20 0 CAADHN COc1cc[nH]c(=O)c1C(=O)NCCNCC(N)=O ZINC001148011144 781527357 /nfs/dbraw/zinc/52/73/57/781527357.db2.gz OHPJTZYTSLMVJP-UHFFFAOYSA-N 0 3 268.273 -1.400 20 0 CAADHN CN(C)c1ccc(C(=O)NCCN[C@@H]2CCNC2=O)nn1 ZINC001148121656 781527162 /nfs/dbraw/zinc/52/71/62/781527162.db2.gz MUGBCZHJWHTDFD-SECBINFHSA-N 0 3 292.343 -1.250 20 0 CAADHN CCn1cnc(C(=O)NCCNCC(=O)NC)c1 ZINC001148038797 781527223 /nfs/dbraw/zinc/52/72/23/781527223.db2.gz XNCFFUCRNOZAHP-UHFFFAOYSA-N 0 3 253.306 -1.032 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(C(=O)NC)nc1 ZINC001148165617 781528348 /nfs/dbraw/zinc/52/83/48/781528348.db2.gz PCNKCEITSMYSMH-UHFFFAOYSA-N 0 3 293.327 -1.493 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1=NN(C)C(=O)CC1 ZINC000716752739 781565545 /nfs/dbraw/zinc/56/55/45/781565545.db2.gz LEDVKQRHXGIQND-MRVPVSSYSA-N 0 3 256.306 -1.367 20 0 CAADHN CNC(=O)c1ccc(C(=O)NCCN[C@@H](C)C(N)=O)cn1 ZINC001148173762 781529003 /nfs/dbraw/zinc/52/90/03/781529003.db2.gz GIQZASWMBAXZKN-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN Cc1ccn2ncc(C(=O)NCCNCC(N)=O)c2n1 ZINC001148173667 781529013 /nfs/dbraw/zinc/52/90/13/781529013.db2.gz BIBKZAKUZCGZDQ-UHFFFAOYSA-N 0 3 276.300 -1.158 20 0 CAADHN CCNC(=O)CCCC(=O)NCCN[C@H](C)C(N)=O ZINC001148192506 781529025 /nfs/dbraw/zinc/52/90/25/781529025.db2.gz VDVKRRCVEPSTKD-SECBINFHSA-N 0 3 272.349 -1.128 20 0 CAADHN CC(C)NC(=O)CCCC(=O)NCCNCC(N)=O ZINC001148250338 781529982 /nfs/dbraw/zinc/52/99/82/781529982.db2.gz UCMFOQTYPQXETP-UHFFFAOYSA-N 0 3 272.349 -1.128 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cccn(C)c2=O)C1=O ZINC001148309842 781529997 /nfs/dbraw/zinc/52/99/97/781529997.db2.gz UPHFGAYKUNOZBW-NSHDSACASA-N 0 3 292.339 -1.065 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cccn(C)c2=O)C1=O ZINC001148309841 781530036 /nfs/dbraw/zinc/53/00/36/781530036.db2.gz UPHFGAYKUNOZBW-LLVKDONJSA-N 0 3 292.339 -1.065 20 0 CAADHN C[C@H](NCCNC(=O)c1cccn(C)c1=O)C(N)=O ZINC001148296691 781530061 /nfs/dbraw/zinc/53/00/61/781530061.db2.gz BHINNENUMUNZKF-QMMMGPOBSA-N 0 3 266.301 -1.422 20 0 CAADHN CN(C)C(=O)CCCC(=O)NCCN[C@@H]1CCNC1=O ZINC001148203987 781530101 /nfs/dbraw/zinc/53/01/01/781530101.db2.gz VZPRUXPNKKVEBI-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN Cn1cccc(C(=O)NCCNCC(=O)NC2CC2)c1=O ZINC001148296926 781530154 /nfs/dbraw/zinc/53/01/54/781530154.db2.gz GCTHUMHGSKRVNL-UHFFFAOYSA-N 0 3 292.339 -1.017 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cccn(C)c1=O)C(N)=O ZINC001148310002 781530203 /nfs/dbraw/zinc/53/02/03/781530203.db2.gz ZKRYSSMDTSIFTB-SNVBAGLBSA-N 0 3 280.328 -1.031 20 0 CAADHN CCCNC(=O)CCC(=O)NCCN[C@H](C)C(N)=O ZINC001148216683 781530230 /nfs/dbraw/zinc/53/02/30/781530230.db2.gz JHXHVKIGJUHLND-SECBINFHSA-N 0 3 272.349 -1.128 20 0 CAADHN Cn1cccc(C(=O)NCCN[C@@H]2CCNC2=O)c1=O ZINC001148297363 781530234 /nfs/dbraw/zinc/53/02/34/781530234.db2.gz UCCIYIXCVKUAHV-SNVBAGLBSA-N 0 3 278.312 -1.407 20 0 CAADHN CN(C)C(=O)CCCC(=O)NCCNCC(N)=O ZINC001148203073 781530933 /nfs/dbraw/zinc/53/09/33/781530933.db2.gz JNUPIXILYAZUMI-UHFFFAOYSA-N 0 3 258.322 -1.564 20 0 CAADHN Cn1cccc(C(=O)NCCNCC(=O)N2CCC2)c1=O ZINC001148289860 781530570 /nfs/dbraw/zinc/53/05/70/781530570.db2.gz QKZXLPGSIVJFPY-UHFFFAOYSA-N 0 3 292.339 -1.063 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cccn(C)c1=O ZINC001148296715 781530681 /nfs/dbraw/zinc/53/06/81/781530681.db2.gz CFKNJLMYVIDZJR-UHFFFAOYSA-N 0 3 280.328 -1.159 20 0 CAADHN CC[C@H](NCCNC(=O)CS(=O)(=O)N(C)C)C(N)=O ZINC001149447847 781530760 /nfs/dbraw/zinc/53/07/60/781530760.db2.gz PHCLRXWOBCWOES-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN Cn1cccc(C(=O)NCCNCC(=O)NC(N)=O)c1=O ZINC001148296719 781530910 /nfs/dbraw/zinc/53/09/10/781530910.db2.gz CJKDWHYCDZVOAR-UHFFFAOYSA-N 0 3 295.299 -2.100 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148427158 781532683 /nfs/dbraw/zinc/53/26/83/781532683.db2.gz JJSHWBJBGXCWAD-SFYZADRCSA-N 0 3 256.306 -1.895 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001148427577 781533507 /nfs/dbraw/zinc/53/35/07/781533507.db2.gz NXIOHZDAPLESQM-YUMQZZPRSA-N 0 3 256.306 -1.765 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148428179 781533345 /nfs/dbraw/zinc/53/33/45/781533345.db2.gz YJMLPFWVOSQJOB-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001148433516 781533419 /nfs/dbraw/zinc/53/34/19/781533419.db2.gz TYUKOGUCXUNVCK-VIFPVBQESA-N 0 3 299.331 -2.102 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148432021 781533435 /nfs/dbraw/zinc/53/34/35/781533435.db2.gz HUQFPSRMYBNGJB-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001148431301 781533441 /nfs/dbraw/zinc/53/34/41/781533441.db2.gz AXBIHRWCCFWHSL-QWRGUYRKSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148427610 781533599 /nfs/dbraw/zinc/53/35/99/781533599.db2.gz PNGRGPFETHGLLB-SFYZADRCSA-N 0 3 299.331 -2.185 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417369 781534062 /nfs/dbraw/zinc/53/40/62/781534062.db2.gz AOFMWHXMSDGJQD-JTQLQIEISA-N 0 3 265.317 -1.096 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001148427292 781534298 /nfs/dbraw/zinc/53/42/98/781534298.db2.gz NEXXKFYYENMUCH-KOLCDFICSA-N 0 3 296.371 -1.115 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCC(=O)N1)NC1CC1 ZINC001148417392 781534334 /nfs/dbraw/zinc/53/43/34/781534334.db2.gz BMRWDSYLYLNUGQ-VIFPVBQESA-N 0 3 268.317 -1.751 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001148417865 781534792 /nfs/dbraw/zinc/53/47/92/781534792.db2.gz KTDGZSBZSWHWGT-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1CCC(=O)N1 ZINC001148422817 781534956 /nfs/dbraw/zinc/53/49/56/781534956.db2.gz QXGABXWSNDUTHU-SFYZADRCSA-N 0 3 282.300 -2.224 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCC(=O)N1)N1CCOCC1 ZINC001148417857 781535044 /nfs/dbraw/zinc/53/50/44/781535044.db2.gz KMPZSALUDNJUQA-JTQLQIEISA-N 0 3 298.343 -2.170 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](NC(C)=O)C(C)C ZINC001148466024 781535346 /nfs/dbraw/zinc/53/53/46/781535346.db2.gz RYGMMNUCICIQMV-GFCCVEGCSA-N 0 3 286.376 -1.011 20 0 CAADHN CC(=O)N[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)C(C)C ZINC001148466320 781535393 /nfs/dbraw/zinc/53/53/93/781535393.db2.gz WXXMOIPNCQVUIB-WCBMZHEXSA-N 0 3 272.349 -1.273 20 0 CAADHN CN(CCO)C(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001161108170 781535823 /nfs/dbraw/zinc/53/58/23/781535823.db2.gz SVYOAIWTNOOYQZ-MRVPVSSYSA-N 0 3 262.331 -1.786 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCCN1C(C)=O ZINC001148450189 781535833 /nfs/dbraw/zinc/53/58/33/781535833.db2.gz ZUAVAKMFIUTPPN-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417954 781535843 /nfs/dbraw/zinc/53/58/43/781535843.db2.gz OIRCLMRJNXYKSB-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CCC(=O)N1 ZINC001148417975 781535863 /nfs/dbraw/zinc/53/58/63/781535863.db2.gz PIXWZOWYTKZZDB-SFYZADRCSA-N 0 3 254.290 -2.141 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H]2CCCNC2=O)CCC1 ZINC001148602479 781536723 /nfs/dbraw/zinc/53/67/23/781536723.db2.gz CXAJJLSDHOXOEM-SNVBAGLBSA-N 0 3 296.371 -1.113 20 0 CAADHN CCNC(=O)CNCCNC(=O)C1(C(=O)NC)CCC1 ZINC001148599371 781537320 /nfs/dbraw/zinc/53/73/20/781537320.db2.gz RSGUUZIXZLMQSA-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN Cc1ccc(=O)n(CC(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001148557606 781537411 /nfs/dbraw/zinc/53/74/11/781537411.db2.gz XNVHSMXAOLDLGZ-SECBINFHSA-N 0 3 281.316 -1.869 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H]2CCN(C)C2=O)CCC1 ZINC001148628630 781538008 /nfs/dbraw/zinc/53/80/08/781538008.db2.gz GABQRHCGBYYVJU-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN COC1CCN(CCNC(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001148627391 781538180 /nfs/dbraw/zinc/53/81/80/781538180.db2.gz GSSAWRLJXKHWLL-JTQLQIEISA-N 0 3 298.343 -1.189 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001149463464 781538342 /nfs/dbraw/zinc/53/83/42/781538342.db2.gz BXVBGRAMSYRMEW-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCCN(C)CC(=O)NCCNCc1nnn(C)n1 ZINC001148638711 781539381 /nfs/dbraw/zinc/53/93/81/781539381.db2.gz OJIGFOXFGWNDAA-UHFFFAOYSA-N 0 3 269.353 -1.242 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001149463468 781539454 /nfs/dbraw/zinc/53/94/54/781539454.db2.gz BXVBGRAMSYRMEW-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001149463466 781539553 /nfs/dbraw/zinc/53/95/53/781539553.db2.gz BXVBGRAMSYRMEW-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCN[C@H]2CCN(C)C2=O)C1 ZINC001149325998 781540234 /nfs/dbraw/zinc/54/02/34/781540234.db2.gz YUVGADHOCFALPU-NEPJUHHUSA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1Cc2cccnc2C1 ZINC001149189094 781540250 /nfs/dbraw/zinc/54/02/50/781540250.db2.gz QAYWWYQSLUDDFC-SNVBAGLBSA-N 0 3 262.313 -1.013 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)C1 ZINC001149325999 781540640 /nfs/dbraw/zinc/54/06/40/781540640.db2.gz YUVGADHOCFALPU-NWDGAFQWSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](O)CN1CCCO[C@H](CNC(=O)CC(N)=O)C1 ZINC001149483306 781541314 /nfs/dbraw/zinc/54/13/14/781541314.db2.gz ZFIBLIBJSABTDZ-NXEZZACHSA-N 0 3 273.333 -1.550 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001149530714 781542069 /nfs/dbraw/zinc/54/20/69/781542069.db2.gz NGZTYAQDDLKAGM-WDEREUQCSA-N 0 3 298.343 -2.172 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001091971917 781543709 /nfs/dbraw/zinc/54/37/09/781543709.db2.gz SKYRLSRDDZRQFC-ZDMBXUJBSA-N 0 3 282.344 -1.484 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@]2(C)C1 ZINC001091971595 781544627 /nfs/dbraw/zinc/54/46/27/781544627.db2.gz IPJLFGHTQPYNKN-RBZYPMLTSA-N 0 3 296.371 -1.271 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)c2cnnn2C)[C@H](C)C1 ZINC001092581057 781547296 /nfs/dbraw/zinc/54/72/96/781547296.db2.gz TZJDVKCVFQSEKH-OPRDCNLKSA-N 0 3 294.359 -1.013 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CNC(=O)c1nnc[nH]1 ZINC001093064638 781550471 /nfs/dbraw/zinc/55/04/71/781550471.db2.gz STXMOXWYKMYZJF-HTQZYQBOSA-N 0 3 266.305 -1.412 20 0 CAADHN NC(=O)C(=O)N1CC(n2cc(CNCC3CC3)nn2)C1 ZINC001093333471 781552679 /nfs/dbraw/zinc/55/26/79/781552679.db2.gz UPPCPNBKFMQPNI-UHFFFAOYSA-N 0 3 278.316 -1.354 20 0 CAADHN CC(=O)NCCNS(=O)(=O)N1CCNCC1 ZINC000036746588 781553378 /nfs/dbraw/zinc/55/33/78/781553378.db2.gz PDFFOKNBXSQVIY-UHFFFAOYSA-N 0 3 250.324 -2.138 20 0 CAADHN CN(C)C(=O)CN1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036806340 781553896 /nfs/dbraw/zinc/55/38/96/781553896.db2.gz NOWBKZQCSGNEDO-UWVGGRQHSA-N 0 3 282.344 -1.517 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NC2CC2)C1 ZINC001036806065 781555074 /nfs/dbraw/zinc/55/50/74/781555074.db2.gz IZODZWQTGKEDLQ-MWLCHTKSSA-N 0 3 294.355 -1.327 20 0 CAADHN NC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[n-]3)CC[C@@H]21 ZINC001036865538 781558530 /nfs/dbraw/zinc/55/85/30/781558530.db2.gz OVCAZWIJAUCTSA-ZJUUUORDSA-N 0 3 292.343 -1.245 20 0 CAADHN NC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3nnc[n-]3)CC[C@@H]21 ZINC001036865538 781558539 /nfs/dbraw/zinc/55/85/39/781558539.db2.gz OVCAZWIJAUCTSA-ZJUUUORDSA-N 0 3 292.343 -1.245 20 0 CAADHN NC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)Cc3nnc[n-]3)CC[C@H]21 ZINC001036865537 781559027 /nfs/dbraw/zinc/55/90/27/781559027.db2.gz OVCAZWIJAUCTSA-VHSXEESVSA-N 0 3 292.343 -1.245 20 0 CAADHN NC(=O)C[N@H+]1CC[C@H]2CN(C(=O)Cc3nnc[n-]3)CC[C@H]21 ZINC001036865537 781559028 /nfs/dbraw/zinc/55/90/28/781559028.db2.gz OVCAZWIJAUCTSA-VHSXEESVSA-N 0 3 292.343 -1.245 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(=O)[nH]c1)C(=O)NC(N)=O ZINC001149770879 781559078 /nfs/dbraw/zinc/55/90/78/781559078.db2.gz NDFIORMJUVWKFR-SSDOTTSWSA-N 0 3 295.299 -1.310 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cn(C)c(=O)n1C ZINC000716669920 781565661 /nfs/dbraw/zinc/56/56/61/781565661.db2.gz HERBYORCWSAGNI-MRVPVSSYSA-N 0 3 256.306 -1.624 20 0 CAADHN C[C@H]1NC(=O)N(CCNC2(C(N)=O)CCOCC2)C1=O ZINC001171820886 781571820 /nfs/dbraw/zinc/57/18/20/781571820.db2.gz SYPQKYMOQRTBFZ-MRVPVSSYSA-N 0 3 284.316 -1.449 20 0 CAADHN Cn1cc(CCNC2(C(N)=O)CCOCC2)nn1 ZINC001171821263 781573490 /nfs/dbraw/zinc/57/34/90/781573490.db2.gz ZUZTWFAVQGXPDP-UHFFFAOYSA-N 0 3 253.306 -1.018 20 0 CAADHN CCN1CC[C@H](N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)CC1=O ZINC001172043686 781574050 /nfs/dbraw/zinc/57/40/50/781574050.db2.gz QGQZINTXCQOTKS-GUBZILKMSA-N 0 3 284.360 -1.035 20 0 CAADHN CCN1CC[C@H](N[C@@H](C)C(=O)NCC(N)=O)CC1=O ZINC001172031199 781574080 /nfs/dbraw/zinc/57/40/80/781574080.db2.gz OSUWXTODNXLYOC-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CCN1CC[C@@H](NCC(=O)NCC(N)=O)CC1=O ZINC001172044902 781574498 /nfs/dbraw/zinc/57/44/98/781574498.db2.gz XIWNZMNBMQKKNW-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN O=C1C[C@@H](NC(CO)(CO)CO)CCN1C1CC1 ZINC001172008155 781574846 /nfs/dbraw/zinc/57/48/46/781574846.db2.gz ZEDZTMIGSYKIRA-VIFPVBQESA-N 0 3 258.318 -1.555 20 0 CAADHN OC[C@H]1O[C@H](O)[C@H](NC2C[C@H]3CC[C@@H](C2)O3)[C@@H](O)[C@@H]1O ZINC001172220311 781576550 /nfs/dbraw/zinc/57/65/50/781576550.db2.gz JKJVHZNWOAZWIS-PIUIBHKHSA-N 0 3 289.328 -1.914 20 0 CAADHN Cn1cnnc1CN[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(N)=O)C2 ZINC001094987940 781577650 /nfs/dbraw/zinc/57/76/50/781577650.db2.gz URBZSUYPSMJUOS-GUBZILKMSA-N 0 3 292.343 -1.231 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cn[n-]n1)C2 ZINC001094951668 781577896 /nfs/dbraw/zinc/57/78/96/781577896.db2.gz IZHXPGBFIQWUSR-CIUDSAMLSA-N 0 3 278.316 -1.127 20 0 CAADHN CCN1CC[C@H](NCC(=O)NCC(=O)NCC(N)=O)C1 ZINC001173359439 781579285 /nfs/dbraw/zinc/57/92/85/781579285.db2.gz UOIHZDSQVXFSML-VIFPVBQESA-N 0 3 285.348 -2.612 20 0 CAADHN C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095158900 781579370 /nfs/dbraw/zinc/57/93/70/781579370.db2.gz GTRQZRWVODZDBS-ZNSHCXBVSA-N 0 3 280.332 -1.225 20 0 CAADHN O=C(Cn1cnnn1)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001095155130 781579420 /nfs/dbraw/zinc/57/94/20/781579420.db2.gz GWOYPCJSIBGEML-UTLUCORTSA-N 0 3 266.305 -1.613 20 0 CAADHN CCSC[C@H](C)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001173296253 781579741 /nfs/dbraw/zinc/57/97/41/781579741.db2.gz QFPPCGREZPYGNL-KEWAQLPFSA-N 0 3 281.374 -1.483 20 0 CAADHN CCSC[C@@H](C)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001173296256 781579812 /nfs/dbraw/zinc/57/98/12/781579812.db2.gz QFPPCGREZPYGNL-SYWHDRQISA-N 0 3 281.374 -1.483 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC[C@@H](O)CO)C[C@@H]1C(=O)OC ZINC001173567262 781581309 /nfs/dbraw/zinc/58/13/09/781581309.db2.gz YESORPFSVPYSMQ-KYXWUPHJSA-N 0 3 275.301 -1.330 20 0 CAADHN C[C@]1(C(=O)NC[C@H]2CN(CCO)CCCO2)CCNC1=O ZINC001150318035 781582549 /nfs/dbraw/zinc/58/25/49/781582549.db2.gz KEPZENWIZOJBCX-FZMZJTMJSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(Cn1cncn1)NCCNCC(=O)NC1CC1 ZINC001150260805 781582996 /nfs/dbraw/zinc/58/29/96/781582996.db2.gz HBLKPARNCWIFTA-UHFFFAOYSA-N 0 3 266.305 -1.738 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150260014 781583277 /nfs/dbraw/zinc/58/32/77/781583277.db2.gz APFUCLATFVSHMH-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CN2C(=O)CNC2=O)C1=O ZINC001150340087 781583397 /nfs/dbraw/zinc/58/33/97/781583397.db2.gz WDHQLMODFQATDN-MRVPVSSYSA-N 0 3 297.315 -2.525 20 0 CAADHN O=C(Cn1cncn1)NCCN[C@@H]1CCCNC1=O ZINC001150262241 781583449 /nfs/dbraw/zinc/58/34/49/781583449.db2.gz VAJCDTWEGDFGGU-SECBINFHSA-N 0 3 266.305 -1.738 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150260908 781583501 /nfs/dbraw/zinc/58/35/01/781583501.db2.gz JEOXGKWBBSQIFR-UHFFFAOYSA-N 0 3 254.294 -1.880 20 0 CAADHN O=C(Cn1cncn1)NCCNCC(=O)N1CCOCC1 ZINC001150260901 781583882 /nfs/dbraw/zinc/58/38/82/781583882.db2.gz JAFUWVXGDFMNFM-UHFFFAOYSA-N 0 3 296.331 -2.157 20 0 CAADHN C[C@H](NCCNC(=O)CCNC(N)=O)C(=O)NC1CC1 ZINC001150432125 781585555 /nfs/dbraw/zinc/58/55/55/781585555.db2.gz LYQBZCXXJCHCGA-QMMMGPOBSA-N 0 3 285.348 -1.582 20 0 CAADHN NC(=O)NCCC(=O)NCCNCC(=O)NC1CC1 ZINC001150423521 781585904 /nfs/dbraw/zinc/58/59/04/781585904.db2.gz IPMBBAHUMMOEBE-UHFFFAOYSA-N 0 3 271.321 -1.971 20 0 CAADHN Cn1nccc1CNCCNC(=O)CCNC(N)=O ZINC001150423507 781587100 /nfs/dbraw/zinc/58/71/00/781587100.db2.gz HXVCSFUYHNATAY-UHFFFAOYSA-N 0 3 268.321 -1.316 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)CCNC(N)=O ZINC001150424587 781588561 /nfs/dbraw/zinc/58/85/61/781588561.db2.gz UZUSDDGALLRVTE-UHFFFAOYSA-N 0 3 287.364 -1.333 20 0 CAADHN C[C@@H](NCCNC(=O)CN1C(=O)CCC1=O)C(=O)N(C)C ZINC001150467925 781588943 /nfs/dbraw/zinc/58/89/43/781588943.db2.gz ZHEGVRRIAJPPCX-SECBINFHSA-N 0 3 298.343 -1.682 20 0 CAADHN Cn1nncc1CNCCCNC(=O)CCNC(N)=O ZINC001175566919 781593111 /nfs/dbraw/zinc/59/31/11/781593111.db2.gz FTSFCBQKOTWVMS-UHFFFAOYSA-N 0 3 283.336 -1.531 20 0 CAADHN CCNC(=O)CNCCNC(=O)C1CCN(C(N)=O)CC1 ZINC001150516722 781594519 /nfs/dbraw/zinc/59/45/19/781594519.db2.gz CUOWXZGTTRROGA-UHFFFAOYSA-N 0 3 299.375 -1.381 20 0 CAADHN Cn1nnc(CNCCCNC(=O)CN2CCCC2)n1 ZINC001176095148 781598060 /nfs/dbraw/zinc/59/80/60/781598060.db2.gz ABLSNAKCLKMXFX-UHFFFAOYSA-N 0 3 281.364 -1.098 20 0 CAADHN Cn1nnnc1CNCCCNC(=O)CN1CCCC1 ZINC001176096338 781598199 /nfs/dbraw/zinc/59/81/99/781598199.db2.gz QJJAFWJGDAHSOO-UHFFFAOYSA-N 0 3 281.364 -1.098 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001149038682 781612020 /nfs/dbraw/zinc/61/20/20/781612020.db2.gz RMFAXEPPXORKFL-GFCCVEGCSA-N 0 3 287.360 -1.288 20 0 CAADHN CCN1CCCO[C@H](CNC(=O)CS(=O)(=O)NC)C1 ZINC001150731599 781623293 /nfs/dbraw/zinc/62/32/93/781623293.db2.gz NSQWXJXVFRTISA-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)COC)[C@H]1C ZINC001177973141 781627771 /nfs/dbraw/zinc/62/77/71/781627771.db2.gz KGPLFFURJGQXED-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CCOCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001178062056 781629216 /nfs/dbraw/zinc/62/92/16/781629216.db2.gz HGFUPXRJJHPNGZ-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)NC(C)=O)[C@H]1C ZINC001178070153 781629244 /nfs/dbraw/zinc/62/92/44/781629244.db2.gz URPGYLAKTWFRJF-YWVKMMECSA-N 0 3 284.360 -1.164 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](N[C@H]2CCNC2=O)[C@@H]1C ZINC001178163179 781630665 /nfs/dbraw/zinc/63/06/65/781630665.db2.gz PDOWBDSYHWLAKG-DLOVCJGASA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN(C)C(C)=O)[C@H]1C ZINC001178156471 781630763 /nfs/dbraw/zinc/63/07/63/781630763.db2.gz UUCFRRMHPQIYMM-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)CNC(N)=O ZINC001178094034 781630778 /nfs/dbraw/zinc/63/07/78/781630778.db2.gz ZFNHYVDHCKTVKB-IUCAKERBSA-N 0 3 285.348 -1.678 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093063 781631013 /nfs/dbraw/zinc/63/10/13/781631013.db2.gz CUQCVEXBJLXTFT-VGMNWLOBSA-N 0 3 285.348 -1.632 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)CNC(N)=O ZINC001178093972 781631419 /nfs/dbraw/zinc/63/14/19/781631419.db2.gz WPHSSFXLDIZDNQ-XHNCKOQMSA-N 0 3 283.332 -1.878 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COCCO2)[C@H]1C ZINC001178144448 781631444 /nfs/dbraw/zinc/63/14/44/781631444.db2.gz VGSWEDIJIGRANE-DCAQKATOSA-N 0 3 285.344 -1.273 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)[C@@H]1C ZINC001178163180 781631456 /nfs/dbraw/zinc/63/14/56/781631456.db2.gz PDOWBDSYHWLAKG-ZMLRMANQSA-N 0 3 296.371 -1.068 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178080713 781631477 /nfs/dbraw/zinc/63/14/77/781631477.db2.gz NRCGWYFYODYJBG-WEDXCCLWSA-N 0 3 270.333 -1.425 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CNC(=O)C1CC1 ZINC001178202536 781631636 /nfs/dbraw/zinc/63/16/36/781631636.db2.gz IFRGSGDGNOWNEI-WPRPVWTQSA-N 0 3 282.344 -1.423 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178088366 781631727 /nfs/dbraw/zinc/63/17/27/781631727.db2.gz QSZFQHDIXPCSHY-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C ZINC001178093060 781631848 /nfs/dbraw/zinc/63/18/48/781631848.db2.gz CUQCVEXBJLXTFT-CIUDSAMLSA-N 0 3 285.348 -1.632 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178335940 781632188 /nfs/dbraw/zinc/63/21/88/781632188.db2.gz NBUJVWKMDWTCIO-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178383576 781632322 /nfs/dbraw/zinc/63/23/22/781632322.db2.gz ABXWOHCMFHCCID-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC001178347221 781632730 /nfs/dbraw/zinc/63/27/30/781632730.db2.gz ZGMLCTIMJROEBT-GARJFASQSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C ZINC001178234511 781632836 /nfs/dbraw/zinc/63/28/36/781632836.db2.gz RQTNVIUBBSJEHP-IUCAKERBSA-N 0 3 291.373 -1.644 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001178211232 781632891 /nfs/dbraw/zinc/63/28/91/781632891.db2.gz WAQGJFBBWVJRSP-VGMNWLOBSA-N 0 3 286.332 -1.205 20 0 CAADHN CO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001178224644 781633207 /nfs/dbraw/zinc/63/32/07/781633207.db2.gz DVABVKRJWCSPPZ-CIUDSAMLSA-N 0 3 286.332 -1.205 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178347152 781633251 /nfs/dbraw/zinc/63/32/51/781633251.db2.gz XLEKVBAOTWNENM-LPEHRKFASA-N 0 3 282.344 -1.410 20 0 CAADHN C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)CC(N)=O ZINC001178395688 781633809 /nfs/dbraw/zinc/63/38/09/781633809.db2.gz LSZJYFAWFFHXPI-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)CC(N)=O ZINC001178396269 781633944 /nfs/dbraw/zinc/63/39/44/781633944.db2.gz YQRLGVUYDFNOIP-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178391788 781634424 /nfs/dbraw/zinc/63/44/24/781634424.db2.gz RICOZWCWKVPEBR-YUMQZZPRSA-N 0 3 256.306 -1.813 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C)C(=O)NC(N)=O ZINC001178395636 781634500 /nfs/dbraw/zinc/63/45/00/781634500.db2.gz JIYDZOIYEGRXRA-FXQIFTODSA-N 0 3 299.331 -1.976 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178395451 781634646 /nfs/dbraw/zinc/63/46/46/781634646.db2.gz IAWZEIJUZAXYRJ-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)[C@@H]1C ZINC001178364733 781634679 /nfs/dbraw/zinc/63/46/79/781634679.db2.gz XYQOOXDGEJSUPT-GARJFASQSA-N 0 3 296.371 -1.020 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)[C@@H]1C ZINC001178512812 781634841 /nfs/dbraw/zinc/63/48/41/781634841.db2.gz RMTLQYNCXYAJHH-GUBZILKMSA-N 0 3 284.360 -1.035 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178384442 781635276 /nfs/dbraw/zinc/63/52/76/781635276.db2.gz XNTNAYKEQVUFBM-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178519932 781635597 /nfs/dbraw/zinc/63/55/97/781635597.db2.gz QISXGTSXZQGLLM-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@@H]1C ZINC001178544979 781635714 /nfs/dbraw/zinc/63/57/14/781635714.db2.gz XNSBLOZKJGSYOU-UWVGGRQHSA-N 0 3 284.360 -1.210 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)[C@@H]1C ZINC001178519663 781636049 /nfs/dbraw/zinc/63/60/49/781636049.db2.gz CMAZWKCCXLLMIN-GARJFASQSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@@H]1C ZINC001178544831 781636347 /nfs/dbraw/zinc/63/63/47/781636347.db2.gz TVRMCCNEDLYDGV-ONGXEEELSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001178544604 781636439 /nfs/dbraw/zinc/63/64/39/781636439.db2.gz MNKRVACWNNHUPJ-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](N[C@H]2CCNC2=O)[C@@H]1C ZINC001178544569 781636455 /nfs/dbraw/zinc/63/64/55/781636455.db2.gz LHCIOZWSGFEBPI-GUBZILKMSA-N 0 3 282.344 -1.410 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@@H]1COC(=O)N1 ZINC001178605455 781637101 /nfs/dbraw/zinc/63/71/01/781637101.db2.gz KWLSCDBBUXLCBL-GUBZILKMSA-N 0 3 298.343 -1.238 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178716796 781637162 /nfs/dbraw/zinc/63/71/62/781637162.db2.gz YFQJTFAGYYQKFZ-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178715527 781637500 /nfs/dbraw/zinc/63/75/00/781637500.db2.gz CNJLQCLQDPGSLE-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C ZINC001178715697 781638047 /nfs/dbraw/zinc/63/80/47/781638047.db2.gz GAJUGAZJCMKEGP-UTLUCORTSA-N 0 3 295.347 -1.613 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@H](C)NC(N)=O)[C@H]1C ZINC001178685545 781638083 /nfs/dbraw/zinc/63/80/83/781638083.db2.gz XEZYZKGPSTVYIA-GUBZILKMSA-N 0 3 299.375 -1.242 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)[C@H]1C ZINC001178606473 781638204 /nfs/dbraw/zinc/63/82/04/781638204.db2.gz YDXDAVZYFCXXLG-LPEHRKFASA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@H](CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C)NC(N)=O ZINC001178689020 781638219 /nfs/dbraw/zinc/63/82/19/781638219.db2.gz MNVVIJAURBVBGB-VGMNWLOBSA-N 0 3 285.348 -1.502 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C ZINC001178612089 781638241 /nfs/dbraw/zinc/63/82/41/781638241.db2.gz ZTJPEHFYJHAUET-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN Cc1n[nH]c(C)c1CC(=O)NCCNCC(=O)NC(N)=O ZINC001150817401 781638272 /nfs/dbraw/zinc/63/82/72/781638272.db2.gz TVLYVNKVFWUSHY-UHFFFAOYSA-N 0 3 296.331 -1.530 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)[C@@H]1C ZINC001178564040 781638374 /nfs/dbraw/zinc/63/83/74/781638374.db2.gz XKHNUYPIQJNGGH-AATLWQCWSA-N 0 3 297.359 -1.489 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178758557 781638400 /nfs/dbraw/zinc/63/84/00/781638400.db2.gz YSPMUBLGDLKBAX-UTLUCORTSA-N 0 3 284.360 -1.035 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)[C@H]1C ZINC001178814198 781639154 /nfs/dbraw/zinc/63/91/54/781639154.db2.gz NLOIHUDJYNQMPA-AXFHLTTASA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC)[C@@H]1C ZINC001178849618 781639208 /nfs/dbraw/zinc/63/92/08/781639208.db2.gz ORXJPXRJKLRXKA-GUBZILKMSA-N 0 3 299.375 -1.371 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)[C@H]1C ZINC001178814199 781639310 /nfs/dbraw/zinc/63/93/10/781639310.db2.gz NLOIHUDJYNQMPA-DCAQKATOSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)[C@@H]1C ZINC001178850382 781639495 /nfs/dbraw/zinc/63/94/95/781639495.db2.gz WVYHMIMLOHXKGE-LPEHRKFASA-N 0 3 297.359 -1.617 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C ZINC001178835436 781639720 /nfs/dbraw/zinc/63/97/20/781639720.db2.gz ODIUPRYXYXPEIE-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)[C@@H]1C ZINC001178850375 781639986 /nfs/dbraw/zinc/63/99/86/781639986.db2.gz WVYHMIMLOHXKGE-GUBZILKMSA-N 0 3 297.359 -1.617 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1C ZINC001178785290 781640000 /nfs/dbraw/zinc/64/00/00/781640000.db2.gz KYWTYSXRVBECSH-VWYCJHECSA-N 0 3 294.359 -1.008 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178839458 781640270 /nfs/dbraw/zinc/64/02/70/781640270.db2.gz PDDJPWFELTXTCY-YUMQZZPRSA-N 0 3 271.321 -2.020 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CNC(=O)C(C)(C)C ZINC001150829618 781640793 /nfs/dbraw/zinc/64/07/93/781640793.db2.gz VWUJLKPTTLNATF-UHFFFAOYSA-N 0 3 286.376 -1.057 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)[C@H]1C ZINC001178870768 781641674 /nfs/dbraw/zinc/64/16/74/781641674.db2.gz PTXXXIFFMFGQNN-AXFHLTTASA-N 0 3 296.371 -1.162 20 0 CAADHN O=C(Cn1ncnn1)N1CC(N[C@H]2CCOC2)C1 ZINC001179008672 781642862 /nfs/dbraw/zinc/64/28/62/781642862.db2.gz PRUJMFJFUOQIJC-QMMMGPOBSA-N 0 3 252.278 -1.738 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@H](NCCF)[C@@H]1C ZINC001179248594 781646087 /nfs/dbraw/zinc/64/60/87/781646087.db2.gz KPFPGYCCCCLOOI-IUCAKERBSA-N 0 3 296.368 -1.411 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)[C@H]1C ZINC001179037018 781646186 /nfs/dbraw/zinc/64/61/86/781646186.db2.gz MIFQSCDXYFVLOS-DCAQKATOSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001179431248 781647850 /nfs/dbraw/zinc/64/78/50/781647850.db2.gz RYGZTBDJLSEDOJ-XHNCKOQMSA-N 0 3 283.332 -2.007 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179326944 781647940 /nfs/dbraw/zinc/64/79/40/781647940.db2.gz GNHSAJSROHBNRO-IUCAKERBSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001179326955 781647969 /nfs/dbraw/zinc/64/79/69/781647969.db2.gz GPQNFEYYQSRELU-YUMQZZPRSA-N 0 3 281.320 -1.851 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)C(N)=O ZINC001179446278 781647987 /nfs/dbraw/zinc/64/79/87/781647987.db2.gz FVCKMCDNXQPREB-CBAPKCEASA-N 0 3 268.317 -1.671 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446239 781648254 /nfs/dbraw/zinc/64/82/54/781648254.db2.gz DSBCGCWXFNDWMT-CSMHCCOUSA-N 0 3 256.306 -1.815 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001179431035 781648492 /nfs/dbraw/zinc/64/84/92/781648492.db2.gz MIFOXOQFVZMJJF-LPEHRKFASA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(=O)NC1CC1 ZINC001179451920 781648871 /nfs/dbraw/zinc/64/88/71/781648871.db2.gz KAVKVBSFFMDFBB-WEDXCCLWSA-N 0 3 282.344 -1.282 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC(C)(C)C)CCN1C(=O)C(N)=O ZINC001179468119 781649275 /nfs/dbraw/zinc/64/92/75/781649275.db2.gz YABRFTPWIAGJAH-IUCAKERBSA-N 0 3 284.360 -1.035 20 0 CAADHN CCN(CC)C(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446433 781649339 /nfs/dbraw/zinc/64/93/39/781649339.db2.gz MZXPZPDZXQFFAJ-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(=O)NC(N)=O ZINC001179451663 781649462 /nfs/dbraw/zinc/64/94/62/781649462.db2.gz DBQPWCIZYPUSTE-VQVTYTSYSA-N 0 3 285.304 -2.366 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(=O)N(C)C ZINC001179446379 781649738 /nfs/dbraw/zinc/64/97/38/781649738.db2.gz KMJGXUKHMSKEIG-VGMNWLOBSA-N 0 3 270.333 -1.473 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(=O)NC(N)=O ZINC001179451660 781649749 /nfs/dbraw/zinc/64/97/49/781649749.db2.gz DBQPWCIZYPUSTE-ACZMJKKPSA-N 0 3 285.304 -2.366 20 0 CAADHN C[C@@H](NC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C1CC1 ZINC001179451672 781649886 /nfs/dbraw/zinc/64/98/86/781649886.db2.gz DFUJSAPFXCGMAC-YWVKMMECSA-N 0 3 296.371 -1.035 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NCC2CC2)CCN1C(=O)C(N)=O ZINC001179446485 781649919 /nfs/dbraw/zinc/64/99/19/781649919.db2.gz PYCXGDUSDQEARC-WPRPVWTQSA-N 0 3 282.344 -1.423 20 0 CAADHN COC[C@H](OC)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001179508106 781650027 /nfs/dbraw/zinc/65/00/27/781650027.db2.gz KPNNGDNKCGGENZ-GUBZILKMSA-N 0 3 273.333 -1.288 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CC(=O)NCC1CC1 ZINC001179886319 781653041 /nfs/dbraw/zinc/65/30/41/781653041.db2.gz UXJUAEUKFBVCBG-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)CC(=O)N(C)C ZINC001179682547 781653231 /nfs/dbraw/zinc/65/32/31/781653231.db2.gz KRLLWWISLZZKMT-DCAQKATOSA-N 0 3 296.371 -1.068 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001180092887 781653793 /nfs/dbraw/zinc/65/37/93/781653793.db2.gz YRCVLLTZGDNILS-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001180092884 781653885 /nfs/dbraw/zinc/65/38/85/781653885.db2.gz YNXZORSOXCWIAP-UWVGGRQHSA-N 0 3 280.332 -1.397 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001180100910 781654357 /nfs/dbraw/zinc/65/43/57/781654357.db2.gz CVZCQTPUASCOFP-UTLUCORTSA-N 0 3 299.375 -1.242 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1C ZINC001179968646 781654645 /nfs/dbraw/zinc/65/46/45/781654645.db2.gz XETUEYGCPQEDCZ-DCAQKATOSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C)C(N)=O ZINC001180091934 781654757 /nfs/dbraw/zinc/65/47/57/781654757.db2.gz LUJNBNLNNKAQPF-CIUDSAMLSA-N 0 3 285.348 -1.502 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001180092526 781655054 /nfs/dbraw/zinc/65/50/54/781655054.db2.gz VUSVCKHEJKDTLM-DCAQKATOSA-N 0 3 294.359 -1.008 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1C ZINC001179963512 781655084 /nfs/dbraw/zinc/65/50/84/781655084.db2.gz OIBNHRBGRZXTIX-NAKRPEOUSA-N 0 3 296.371 -1.022 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001180156955 781655915 /nfs/dbraw/zinc/65/59/15/781655915.db2.gz NIWOBRXJYLPVMS-YUMQZZPRSA-N 0 3 292.361 -2.400 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001180223064 781656250 /nfs/dbraw/zinc/65/62/50/781656250.db2.gz YUTSLHOUAVEEQV-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)Cc1nc(N)n[nH]1 ZINC001180246668 781657519 /nfs/dbraw/zinc/65/75/19/781657519.db2.gz LMLZMSSZFCAJCC-QMMMGPOBSA-N 0 3 268.321 -1.282 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCCC(N)=O ZINC001180292426 781660314 /nfs/dbraw/zinc/66/03/14/781660314.db2.gz VBBODJRMVHJRMX-IUCAKERBSA-N 0 3 270.333 -1.294 20 0 CAADHN CCN(CC)CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001180390911 781665193 /nfs/dbraw/zinc/66/51/93/781665193.db2.gz JRBVRMYYKQUPIO-YNVCDSSISA-N 0 3 292.332 -2.756 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)c1ccccc1F ZINC001150937912 781665783 /nfs/dbraw/zinc/66/57/83/781665783.db2.gz WRWSVXFSTYEXCR-UHFFFAOYSA-N 0 3 296.302 -1.253 20 0 CAADHN COCC(=O)N1CC[C@@H](NCCN(C)S(C)(=O)=O)C1 ZINC001180539908 781666293 /nfs/dbraw/zinc/66/62/93/781666293.db2.gz XQEYKFQBBYYVOY-SNVBAGLBSA-N 0 3 293.389 -1.285 20 0 CAADHN COCC(=O)N1CC[C@@H](NCC(=O)NC[C@@H]2CCOC2)C1 ZINC001180539533 781666598 /nfs/dbraw/zinc/66/65/98/781666598.db2.gz QRQBJTROIPOQHI-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001180562942 781669606 /nfs/dbraw/zinc/66/96/06/781669606.db2.gz KZDRALDYDGVUAI-RXMQYKEDSA-N 0 3 264.232 -1.363 20 0 CAADHN C[C@H](C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21)N1CCCC1 ZINC001180585282 781669825 /nfs/dbraw/zinc/66/98/25/781669825.db2.gz KIEAKGURNVRFPU-ZNSHCXBVSA-N 0 3 268.365 -2.010 20 0 CAADHN C[C@H](C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21)N1CCCC1 ZINC001180585280 781669990 /nfs/dbraw/zinc/66/99/90/781669990.db2.gz KIEAKGURNVRFPU-VPOLOUISSA-N 0 3 268.365 -2.010 20 0 CAADHN CCOCCNC(=O)CN[C@@H]1CCN(C(=O)COC)C1 ZINC001180570629 781670146 /nfs/dbraw/zinc/67/01/46/781670146.db2.gz NYPXIJKZDCTCNE-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)COC)C1 ZINC001180570348 781670388 /nfs/dbraw/zinc/67/03/88/781670388.db2.gz ISZMJGPEKQZGQO-MRVPVSSYSA-N 0 3 272.305 -1.721 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001180707311 781672518 /nfs/dbraw/zinc/67/25/18/781672518.db2.gz HQXIQRCEQLVUDM-NXEZZACHSA-N 0 3 268.317 -1.799 20 0 CAADHN CN(CC(=O)NC(CO)(CO)CO)C1CCCC1 ZINC001180630378 781672634 /nfs/dbraw/zinc/67/26/34/781672634.db2.gz QFIGKNDTBSYFFI-UHFFFAOYSA-N 0 3 260.334 -1.307 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001180707313 781673249 /nfs/dbraw/zinc/67/32/49/781673249.db2.gz HQXIQRCEQLVUDM-ZJUUUORDSA-N 0 3 268.317 -1.799 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC001180736251 781673990 /nfs/dbraw/zinc/67/39/90/781673990.db2.gz SGDIXOVRFDNLBJ-MRVPVSSYSA-N 0 3 292.299 -1.524 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001180707512 781675062 /nfs/dbraw/zinc/67/50/62/781675062.db2.gz MMJNGQWIEQFCJJ-SNVBAGLBSA-N 0 3 270.333 -1.599 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC2CC2)C1 ZINC001180728594 781675983 /nfs/dbraw/zinc/67/59/83/781675983.db2.gz DKNCJSZBOLSEBS-JOYOIKCWSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180722963 781676336 /nfs/dbraw/zinc/67/63/36/781676336.db2.gz UNJBDPKGGIERRG-WCBMZHEXSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001180722589 781676492 /nfs/dbraw/zinc/67/64/92/781676492.db2.gz FMLPGMSMEDIAKD-MNOVXSKESA-N 0 3 282.344 -1.456 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001180729204 781676726 /nfs/dbraw/zinc/67/67/26/781676726.db2.gz MSKRHRXVOBZCSH-IONNQARKSA-N 0 3 299.331 -2.104 20 0 CAADHN CCOCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001180786794 781676798 /nfs/dbraw/zinc/67/67/98/781676798.db2.gz CKXPBOJEPDFJPS-MRVPVSSYSA-N 0 3 272.305 -1.592 20 0 CAADHN CCN1CC[C@@H](N[C@@H]2CCN(C(=O)CNC(C)=O)C2)C1=O ZINC001180722787 781676835 /nfs/dbraw/zinc/67/68/35/781676835.db2.gz MDOMMXIVRLYDPD-VXGBXAGGSA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CNC(C)=O)C1)C(N)=O ZINC001180722778 781676902 /nfs/dbraw/zinc/67/69/02/781676902.db2.gz LMZWGICZTMURRX-ZJUUUORDSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001180722732 781676924 /nfs/dbraw/zinc/67/69/24/781676924.db2.gz JVEGMVYOGRXSKJ-SNVBAGLBSA-N 0 3 280.332 -1.060 20 0 CAADHN CCN1CC[C@H](N[C@@H]2CCN(C(=O)CNC(C)=O)C2)C1=O ZINC001180722786 781677078 /nfs/dbraw/zinc/67/70/78/781677078.db2.gz MDOMMXIVRLYDPD-NEPJUHHUSA-N 0 3 296.371 -1.066 20 0 CAADHN CCOCC(=O)N1CC[C@@H](NCC(=O)NC(=O)NC)C1 ZINC001180787848 781677303 /nfs/dbraw/zinc/67/73/03/781677303.db2.gz MXLMTAWFRHOJFD-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001180761605 781677374 /nfs/dbraw/zinc/67/73/74/781677374.db2.gz BVDPVECITFSFGB-NSHDSACASA-N 0 3 271.361 -1.110 20 0 CAADHN CCOCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001180803552 781678541 /nfs/dbraw/zinc/67/85/41/781678541.db2.gz GZNCTWJSKRGHCC-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)no1 ZINC001180809879 781678599 /nfs/dbraw/zinc/67/85/99/781678599.db2.gz HEGZVHNSZUDRFI-MRVPVSSYSA-N 0 3 295.299 -1.018 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001180829258 781678710 /nfs/dbraw/zinc/67/87/10/781678710.db2.gz VPQJGUIEPJORPJ-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001180766768 781678731 /nfs/dbraw/zinc/67/87/31/781678731.db2.gz RZBKDUFXSWRJHL-MRVPVSSYSA-N 0 3 298.299 -1.740 20 0 CAADHN C=CC(=O)NCCNC(=O)C1(O)CCN(C)CC1 ZINC001182036423 781704425 /nfs/dbraw/zinc/70/44/25/781704425.db2.gz SCMJJSKGDIKMQV-UHFFFAOYSA-N 0 3 255.318 -1.139 20 0 CAADHN CN1CCC(O)(C(=O)NC(CO)(CO)CO)CC1 ZINC001182032498 781704549 /nfs/dbraw/zinc/70/45/49/781704549.db2.gz JUAVHKDIWKZFMB-UHFFFAOYSA-N 0 3 262.306 -2.725 20 0 CAADHN CN1CCC[C@H](N[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001180905427 781681074 /nfs/dbraw/zinc/68/10/74/781681074.db2.gz AMOATAJCMDCSJV-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001180870300 781681312 /nfs/dbraw/zinc/68/13/12/781681312.db2.gz FBGQRYBEJJVVNP-SNVBAGLBSA-N 0 3 282.344 -1.455 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180854829 781681406 /nfs/dbraw/zinc/68/14/06/781681406.db2.gz CVNQADCLAVGIHZ-MRVPVSSYSA-N 0 3 267.293 -2.390 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180855329 781681468 /nfs/dbraw/zinc/68/14/68/781681468.db2.gz OCGWNRFJYYHFMQ-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN Cc1nc(CN[C@@H]2CCN(C(=O)CNC(N)=O)C2)n[nH]1 ZINC001180905498 781681689 /nfs/dbraw/zinc/68/16/89/781681689.db2.gz FCBSUGWDIKGAJA-MRVPVSSYSA-N 0 3 281.320 -1.528 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180905994 781681749 /nfs/dbraw/zinc/68/17/49/781681749.db2.gz JTQWNLGPWCHXRZ-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CNC(N)=O)C1)C(=O)NC1CC1 ZINC001180915057 781682211 /nfs/dbraw/zinc/68/22/11/781682211.db2.gz YUXOQZHCKVBAPI-PSASIEDQSA-N 0 3 297.359 -1.488 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CNC(N)=O)C1)C(=O)N(C)C ZINC001180907078 781682463 /nfs/dbraw/zinc/68/24/63/781682463.db2.gz RIRAVLAEXNRPMK-DTWKUNHWSA-N 0 3 285.348 -1.678 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180906387 781682486 /nfs/dbraw/zinc/68/24/86/781682486.db2.gz LZNYDLCGLSRNAO-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CNC(N)=O)C1)C(=O)NC1CC1 ZINC001180915060 781682495 /nfs/dbraw/zinc/68/24/95/781682495.db2.gz YUXOQZHCKVBAPI-WCBMZHEXSA-N 0 3 297.359 -1.488 20 0 CAADHN CCCCNC(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180907182 781682561 /nfs/dbraw/zinc/68/25/61/781682561.db2.gz SQPLYBCBBCONCM-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CCCC[C@H](N[C@@H]1CCN(C(=O)CNC(N)=O)C1)C(N)=O ZINC001180913060 781682580 /nfs/dbraw/zinc/68/25/80/781682580.db2.gz GEWLRULTWCANAP-ZJUUUORDSA-N 0 3 299.375 -1.111 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180907065 781682758 /nfs/dbraw/zinc/68/27/58/781682758.db2.gz QPJGZSQXUZIOBD-MRVPVSSYSA-N 0 3 271.321 -2.067 20 0 CAADHN NC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001180906362 781682874 /nfs/dbraw/zinc/68/28/74/781682874.db2.gz LJGUTEFZSZHLCB-RKDXNWHRSA-N 0 3 283.332 -1.876 20 0 CAADHN CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180907736 781682936 /nfs/dbraw/zinc/68/29/36/781682936.db2.gz XACIZBSTQNGJLF-SNVBAGLBSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001180959035 781683783 /nfs/dbraw/zinc/68/37/83/781683783.db2.gz RNMXERYLKDQQNM-SNVBAGLBSA-N 0 3 265.317 -1.180 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001181006997 781685314 /nfs/dbraw/zinc/68/53/14/781685314.db2.gz ZUXSLYMMGOYDCA-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C)C(=O)N1 ZINC001181129210 781686292 /nfs/dbraw/zinc/68/62/92/781686292.db2.gz HOEFGLGNVYFHBJ-UWVGGRQHSA-N 0 3 298.343 -1.284 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C)C(=O)N1 ZINC001181129213 781686307 /nfs/dbraw/zinc/68/63/07/781686307.db2.gz HOEFGLGNVYFHBJ-ZJUUUORDSA-N 0 3 298.343 -1.284 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001181076773 781686320 /nfs/dbraw/zinc/68/63/20/781686320.db2.gz VFXWDYITUGRCMU-MNOVXSKESA-N 0 3 285.344 -1.320 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001181081253 781686597 /nfs/dbraw/zinc/68/65/97/781686597.db2.gz HKSAOYBSIQMELD-MRVPVSSYSA-N 0 3 294.315 -1.331 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001181075746 781686854 /nfs/dbraw/zinc/68/68/54/781686854.db2.gz KIPKTPBOTDNBNE-NXEZZACHSA-N 0 3 271.317 -1.662 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001181075749 781686934 /nfs/dbraw/zinc/68/69/34/781686934.db2.gz KIPKTPBOTDNBNE-ZJUUUORDSA-N 0 3 271.317 -1.662 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001181131076 781687468 /nfs/dbraw/zinc/68/74/68/781687468.db2.gz KFMCSOLSMOKYEA-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001181131089 781687585 /nfs/dbraw/zinc/68/75/85/781687585.db2.gz KUCORTVZUQQYGN-VXGBXAGGSA-N 0 3 296.371 -1.114 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1)C(N)=O ZINC001181131643 781687723 /nfs/dbraw/zinc/68/77/23/781687723.db2.gz VEUKQXOCGHXVNG-MNOVXSKESA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1)C(N)=O ZINC001181131642 781687872 /nfs/dbraw/zinc/68/78/72/781687872.db2.gz VEUKQXOCGHXVNG-GHMZBOCLSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001181131406 781687963 /nfs/dbraw/zinc/68/79/63/781687963.db2.gz PPZQICAWBPJYRR-NEPJUHHUSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181130809 781688281 /nfs/dbraw/zinc/68/82/81/781688281.db2.gz GWAVCEQVTPLFOV-SECBINFHSA-N 0 3 299.331 -2.150 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001181131420 781688317 /nfs/dbraw/zinc/68/83/17/781688317.db2.gz QHVOSRLZHCACOX-SECBINFHSA-N 0 3 256.306 -1.860 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001181242088 781690336 /nfs/dbraw/zinc/69/03/36/781690336.db2.gz FOXAOZRZYKZXGY-SECBINFHSA-N 0 3 268.317 -1.812 20 0 CAADHN COCCCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181225730 781690354 /nfs/dbraw/zinc/69/03/54/781690354.db2.gz LSVAUFIKEUPITF-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001181251778 781690516 /nfs/dbraw/zinc/69/05/16/781690516.db2.gz WRIUGZJSHRSSTM-MRVPVSSYSA-N 0 3 272.305 -1.721 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC001181217350 781690804 /nfs/dbraw/zinc/69/08/04/781690804.db2.gz ZKTJMGVVRYSZDR-ZCFIWIBFSA-N 0 3 298.328 -1.463 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cnns2)C1 ZINC001181226254 781690830 /nfs/dbraw/zinc/69/08/30/781690830.db2.gz YIQQYQFSSIXBFC-ZCFIWIBFSA-N 0 3 298.328 -1.463 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001181250523 781690985 /nfs/dbraw/zinc/69/09/85/781690985.db2.gz FPZDMCZCHIXXNK-SNVBAGLBSA-N 0 3 298.343 -1.235 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2ccon2)C1 ZINC001181280459 781691737 /nfs/dbraw/zinc/69/17/37/781691737.db2.gz XWDPTVZKJRNORP-MRVPVSSYSA-N 0 3 295.299 -1.066 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001181295260 781691757 /nfs/dbraw/zinc/69/17/57/781691757.db2.gz QDTYYBUUMHHFTA-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001181337910 781692165 /nfs/dbraw/zinc/69/21/65/781692165.db2.gz YDYIUMKTAUCKNA-SECBINFHSA-N 0 3 291.373 -1.690 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001181294295 781692078 /nfs/dbraw/zinc/69/20/78/781692078.db2.gz FRXOOUNCZJCRST-SNVBAGLBSA-N 0 3 298.343 -1.189 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001181294293 781692283 /nfs/dbraw/zinc/69/22/83/781692283.db2.gz FQRYSVFSXIMOEG-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001181325610 781693327 /nfs/dbraw/zinc/69/33/27/781693327.db2.gz LFXALTDIKLLKEJ-DTWKUNHWSA-N 0 3 291.373 -1.644 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001181412982 781693480 /nfs/dbraw/zinc/69/34/80/781693480.db2.gz STCRPRHIPXTYEU-DTWKUNHWSA-N 0 3 284.316 -1.592 20 0 CAADHN CC(C)OCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181385777 781693536 /nfs/dbraw/zinc/69/35/36/781693536.db2.gz AVZFKFHMMAHQJM-SECBINFHSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001181428055 781693761 /nfs/dbraw/zinc/69/37/61/781693761.db2.gz YRXDALBAAYFGEM-SECBINFHSA-N 0 3 265.317 -1.030 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC001181501247 781694117 /nfs/dbraw/zinc/69/41/17/781694117.db2.gz JBFSGKAGYSTKHT-VHSXEESVSA-N 0 3 298.343 -1.202 20 0 CAADHN CC[C@H](OC)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181452271 781694810 /nfs/dbraw/zinc/69/48/10/781694810.db2.gz KSAHPDIADWIVQZ-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cocn2)C1 ZINC001181589131 781695604 /nfs/dbraw/zinc/69/56/04/781695604.db2.gz DEFIQSLYMUZASU-SSDOTTSWSA-N 0 3 281.272 -1.326 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)C(=O)N(C)C ZINC001181609500 781695740 /nfs/dbraw/zinc/69/57/40/781695740.db2.gz PLLDNCNFCZLPGF-HBNTYKKESA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181598145 781695755 /nfs/dbraw/zinc/69/57/55/781695755.db2.gz COTNQLFUZBOLBQ-IVZWLZJFSA-N 0 3 282.344 -1.410 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001181681568 781695848 /nfs/dbraw/zinc/69/58/48/781695848.db2.gz PXCLQSINMOKDCL-LLVKDONJSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181598151 781696238 /nfs/dbraw/zinc/69/62/38/781696238.db2.gz COTNQLFUZBOLBQ-OPRDCNLKSA-N 0 3 282.344 -1.410 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)nc1=O ZINC001151049681 781696315 /nfs/dbraw/zinc/69/63/15/781696315.db2.gz WALBRCPSPBFPOF-SECBINFHSA-N 0 3 282.348 -1.734 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)nc1=O ZINC001151049681 781696322 /nfs/dbraw/zinc/69/63/22/781696322.db2.gz WALBRCPSPBFPOF-SECBINFHSA-N 0 3 282.348 -1.734 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181599033 781696570 /nfs/dbraw/zinc/69/65/70/781696570.db2.gz LKIWGXGZAMJGFW-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COCCOC)C1 ZINC001181723376 781697171 /nfs/dbraw/zinc/69/71/71/781697171.db2.gz QHNLDROQUWPXOI-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001181675382 781697214 /nfs/dbraw/zinc/69/72/14/781697214.db2.gz YPOPISISLVSOPR-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001181680962 781697436 /nfs/dbraw/zinc/69/74/36/781697436.db2.gz CWMMWHVTRWFWNI-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001181716326 781697385 /nfs/dbraw/zinc/69/73/85/781697385.db2.gz JIHTYKLFUANBQH-RKDXNWHRSA-N 0 3 292.343 -1.003 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](N[C@@H](CC)C(N)=O)C1 ZINC001181690177 781697414 /nfs/dbraw/zinc/69/74/14/781697414.db2.gz AZUCQMXHBYMLTA-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001181690241 781697488 /nfs/dbraw/zinc/69/74/88/781697488.db2.gz DKORWLAKQYQDQG-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN COCCOCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001181708752 781697683 /nfs/dbraw/zinc/69/76/83/781697683.db2.gz COJJTBVWHKCOSH-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001181691065 781697768 /nfs/dbraw/zinc/69/77/68/781697768.db2.gz ZDDDOYGTRUJHNV-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001181716983 781697830 /nfs/dbraw/zinc/69/78/30/781697830.db2.gz YNQDSNBENDOFOM-SECBINFHSA-N 0 3 292.343 -1.001 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001181716325 781697939 /nfs/dbraw/zinc/69/79/39/781697939.db2.gz JIHTYKLFUANBQH-DTWKUNHWSA-N 0 3 292.343 -1.003 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181760099 781698548 /nfs/dbraw/zinc/69/85/48/781698548.db2.gz GAWGUVUNGSAMFQ-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181761190 781698590 /nfs/dbraw/zinc/69/85/90/781698590.db2.gz XLBHJWFXFRVOPC-SECBINFHSA-N 0 3 270.333 -1.423 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181761266 781698808 /nfs/dbraw/zinc/69/88/08/781698808.db2.gz YLAAQQXAADPAMX-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181759854 781698846 /nfs/dbraw/zinc/69/88/46/781698846.db2.gz CWBFZHCFQQJSHK-ZCFIWIBFSA-N 0 3 271.277 -2.753 20 0 CAADHN CCCCNC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181760384 781698914 /nfs/dbraw/zinc/69/89/14/781698914.db2.gz KLMHIZNORJRFEJ-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181760422 781698938 /nfs/dbraw/zinc/69/89/38/781698938.db2.gz LTMUJHCAPPLOOV-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)COCCOC)C1 ZINC001181699450 781699077 /nfs/dbraw/zinc/69/90/77/781699077.db2.gz YHJAJKBCCYUQFT-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN CS(=O)(=O)CCN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181760498 781699089 /nfs/dbraw/zinc/69/90/89/781699089.db2.gz OEDANKDGOAQJJS-MRVPVSSYSA-N 0 3 277.346 -1.903 20 0 CAADHN CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181759877 781699200 /nfs/dbraw/zinc/69/92/00/781699200.db2.gz FBGHPWLJTLPAIC-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](NC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1)C1CC1 ZINC001181768460 781699212 /nfs/dbraw/zinc/69/92/12/781699212.db2.gz FYQBZUFREYFHLQ-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181760152 781699345 /nfs/dbraw/zinc/69/93/45/781699345.db2.gz HPHDYBDIINJQEE-SNVBAGLBSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CC(N)=O)C1)C(=O)NC(N)=O ZINC001181780281 781700217 /nfs/dbraw/zinc/70/02/17/781700217.db2.gz UPMLSEFTEYHBSN-NKWVEPMBSA-N 0 3 285.304 -2.364 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181779144 781700377 /nfs/dbraw/zinc/70/03/77/781700377.db2.gz HACITMHGCIQDKY-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181769777 781700407 /nfs/dbraw/zinc/70/04/07/781700407.db2.gz QNNUQDXXIQMBHM-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181769378 781700623 /nfs/dbraw/zinc/70/06/23/781700623.db2.gz NJNLRKMAYYZZLP-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001181822594 781701001 /nfs/dbraw/zinc/70/10/01/781701001.db2.gz SHPJZYNCJIZXPF-GHMZBOCLSA-N 0 3 284.360 -1.747 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001181822573 781701520 /nfs/dbraw/zinc/70/15/20/781701520.db2.gz RWTDPGICBJXXJW-VXGBXAGGSA-N 0 3 298.387 -1.404 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC001181801746 781702013 /nfs/dbraw/zinc/70/20/13/781702013.db2.gz QOKXUAMLDIWTHW-SECBINFHSA-N 0 3 280.332 -1.326 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001181822570 781702119 /nfs/dbraw/zinc/70/21/19/781702119.db2.gz RWTDPGICBJXXJW-NEPJUHHUSA-N 0 3 298.387 -1.404 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001181987653 781703156 /nfs/dbraw/zinc/70/31/56/781703156.db2.gz UYKKRRLWWVOXJJ-PRHODGIISA-N 0 3 280.332 -1.022 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001181989618 781703483 /nfs/dbraw/zinc/70/34/83/781703483.db2.gz WHCWDBOVPQKFGH-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001181979018 781703548 /nfs/dbraw/zinc/70/35/48/781703548.db2.gz LIJNMUGKJXJXHY-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001182002528 781703764 /nfs/dbraw/zinc/70/37/64/781703764.db2.gz UNUKQNAAMQRVEU-WISYIIOYSA-N 0 3 282.392 -1.620 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)C2(O)CCN(C)CC2)CCN1C ZINC001182034419 781704474 /nfs/dbraw/zinc/70/44/74/781704474.db2.gz SELHZTKBLWRUFN-NSHDSACASA-N 0 3 299.371 -1.241 20 0 CAADHN CN1CCC(O)(C(=O)Nc2nccnc2C(N)=O)CC1 ZINC001182028437 781704506 /nfs/dbraw/zinc/70/45/06/781704506.db2.gz RNQKKDWBPFDLKU-UHFFFAOYSA-N 0 3 279.300 -1.029 20 0 CAADHN CN1CCC(O)(C(=O)NC[C@@H]2CCC(=O)N2)CC1 ZINC001182033786 781704539 /nfs/dbraw/zinc/70/45/39/781704539.db2.gz PUZUFTDOQCXLDM-VIFPVBQESA-N 0 3 255.318 -1.162 20 0 CAADHN CN1CCC(O)(C(=O)N2C[C@@H]3[C@H](C2)OCCN3C)CC1 ZINC001182033570 781704598 /nfs/dbraw/zinc/70/45/98/781704598.db2.gz YJLJJZJPOUWGDA-NEPJUHHUSA-N 0 3 283.372 -1.016 20 0 CAADHN CN1CCC(O)(C(=O)N2CC(NS(C)(=O)=O)C2)CC1 ZINC001182034271 781704605 /nfs/dbraw/zinc/70/46/05/781704605.db2.gz QRQIRRAFCQZUGP-UHFFFAOYSA-N 0 3 291.373 -1.797 20 0 CAADHN CN1CCC(O)(C(=O)N[C@@H](CO)Cc2c[nH]cn2)CC1 ZINC001182036851 781704649 /nfs/dbraw/zinc/70/46/49/781704649.db2.gz ZQLSKUHFBXQPOU-LLVKDONJSA-N 0 3 282.344 -1.114 20 0 CAADHN CN1CCC(O)(C(=O)NC[C@H]2CNC(=O)CO2)CC1 ZINC001182036017 781704661 /nfs/dbraw/zinc/70/46/61/781704661.db2.gz IULOMHJVNYBDIQ-SECBINFHSA-N 0 3 271.317 -1.926 20 0 CAADHN CN1CCC(O)(C(=O)N2CC[C@H](CO)[C@H](O)C2)CC1 ZINC001182028399 781704681 /nfs/dbraw/zinc/70/46/81/781704681.db2.gz PVIHIDXAHXISCA-GHMZBOCLSA-N 0 3 272.345 -1.355 20 0 CAADHN CN1CCC(O)(C(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC001182031745 781704690 /nfs/dbraw/zinc/70/46/90/781704690.db2.gz DNGJSOGOVMIXGP-VIFPVBQESA-N 0 3 271.317 -1.844 20 0 CAADHN CN(C)C(=O)CN(C)C(=O)C1(O)CCN(C)CC1 ZINC001182034800 781704737 /nfs/dbraw/zinc/70/47/37/781704737.db2.gz VLLKQFAANRJRBW-UHFFFAOYSA-N 0 3 257.334 -1.010 20 0 CAADHN CN1CCC(O)(C(=O)N2CC(N3CCNC(=O)C3)C2)CC1 ZINC001182034803 781704771 /nfs/dbraw/zinc/70/47/71/781704771.db2.gz VQJUFZNNNINWBE-UHFFFAOYSA-N 0 3 296.371 -1.914 20 0 CAADHN CN1CCC(O)(C(=O)NC[C@H]2CCC(=O)N2)CC1 ZINC001182033784 781704783 /nfs/dbraw/zinc/70/47/83/781704783.db2.gz PUZUFTDOQCXLDM-SECBINFHSA-N 0 3 255.318 -1.162 20 0 CAADHN CN1CCC(O)(C(=O)N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001182032425 781704827 /nfs/dbraw/zinc/70/48/27/781704827.db2.gz GWSYHEYNSVLDFD-MRVPVSSYSA-N 0 3 269.301 -1.636 20 0 CAADHN CN1CCC(O)(C(=O)N2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC001182027887 781704867 /nfs/dbraw/zinc/70/48/67/781704867.db2.gz IQNWHDHNMOBBDY-WDEREUQCSA-N 0 3 272.345 -1.355 20 0 CAADHN CN1CCC(O)(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC001182027884 781704949 /nfs/dbraw/zinc/70/49/49/781704949.db2.gz IQNWHDHNMOBBDY-GHMZBOCLSA-N 0 3 272.345 -1.355 20 0 CAADHN CN1CCC(O)(C(=O)NC[C@@H]2COCCN2C)CC1 ZINC001182036235 781705057 /nfs/dbraw/zinc/70/50/57/781705057.db2.gz LTUALJHRIIRVHL-LLVKDONJSA-N 0 3 271.361 -1.110 20 0 CAADHN COC(=O)[C@@H](NC(=O)C1(O)CCN(C)CC1)[C@@H](C)O ZINC001182033107 781705314 /nfs/dbraw/zinc/70/53/14/781705314.db2.gz JZVSUIICKXXIGF-BDAKNGLRSA-N 0 3 274.317 -1.518 20 0 CAADHN CN1CCC(O)(C(=O)N[C@H]2CCC(=O)NC2=O)CC1 ZINC001182032426 781705139 /nfs/dbraw/zinc/70/51/39/781705139.db2.gz GWSYHEYNSVLDFD-QMMMGPOBSA-N 0 3 269.301 -1.636 20 0 CAADHN CN1CCC(O)(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)CC1 ZINC001182036959 781705240 /nfs/dbraw/zinc/70/52/40/781705240.db2.gz OJBNNFDFWNIKMX-GUBZILKMSA-N 0 3 284.364 -3.038 20 0 CAADHN CN1CCC(O)(C(=O)NC2CN(C3COC3)C2)CC1 ZINC001182037125 781705251 /nfs/dbraw/zinc/70/52/51/781705251.db2.gz WAPVIWIYXWTZDU-UHFFFAOYSA-N 0 3 269.345 -1.358 20 0 CAADHN CN1CCC(O)(C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)CC1 ZINC001182036961 781705346 /nfs/dbraw/zinc/70/53/46/781705346.db2.gz OJBNNFDFWNIKMX-LPEHRKFASA-N 0 3 284.364 -3.038 20 0 CAADHN CN1CCC(O)(C(=O)N2CC[C@H](O)[C@H](CO)C2)CC1 ZINC001182027886 781705451 /nfs/dbraw/zinc/70/54/51/781705451.db2.gz IQNWHDHNMOBBDY-QWRGUYRKSA-N 0 3 272.345 -1.355 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)C2(O)CCN(C)CC2)CCN1C ZINC001182034415 781705480 /nfs/dbraw/zinc/70/54/80/781705480.db2.gz SELHZTKBLWRUFN-LLVKDONJSA-N 0 3 299.371 -1.241 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001182059705 781706144 /nfs/dbraw/zinc/70/61/44/781706144.db2.gz YHYOCYMFNXZHJH-VXGBXAGGSA-N 0 3 298.387 -1.404 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001182059699 781706224 /nfs/dbraw/zinc/70/62/24/781706224.db2.gz YHYOCYMFNXZHJH-NEPJUHHUSA-N 0 3 298.387 -1.404 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001182058904 781706435 /nfs/dbraw/zinc/70/64/35/781706435.db2.gz HKASMIJUKMBMHN-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COCCN2C)C1 ZINC001182059479 781706633 /nfs/dbraw/zinc/70/66/33/781706633.db2.gz SAHFUZQTGNLRGM-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001182059736 781706682 /nfs/dbraw/zinc/70/66/82/781706682.db2.gz YWLKAOKYSVRZQQ-MNOVXSKESA-N 0 3 284.360 -1.747 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)n2cncn2)C1 ZINC001182058824 781706700 /nfs/dbraw/zinc/70/67/00/781706700.db2.gz FLYRFLGKFNHGAF-VHSXEESVSA-N 0 3 280.332 -1.224 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COCCN2C)C1 ZINC001182059478 781706784 /nfs/dbraw/zinc/70/67/84/781706784.db2.gz SAHFUZQTGNLRGM-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1)C(=O)NC(N)=O ZINC001182074501 781706793 /nfs/dbraw/zinc/70/67/93/781706793.db2.gz QYPHEHPWBCWKRJ-AEJSXWLSSA-N 0 3 298.343 -1.061 20 0 CAADHN C[C@H](NCCNC(=O)c1ccn(C)n1)C(=O)NC(N)=O ZINC001151083722 781707564 /nfs/dbraw/zinc/70/75/64/781707564.db2.gz FPQXCEUKBASBJT-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN CC(=O)N[C@@H](CCO)C(=O)N1CCOC[C@H]1CN(C)C ZINC001182123785 781708787 /nfs/dbraw/zinc/70/87/87/781708787.db2.gz ORKMGQLHSCCVIV-NEPJUHHUSA-N 0 3 287.360 -1.338 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001182122437 781708886 /nfs/dbraw/zinc/70/88/86/781708886.db2.gz ZESQYFPFOGHCFL-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001182127552 781708940 /nfs/dbraw/zinc/70/89/40/781708940.db2.gz FKNWBUATFRHSSI-SECBINFHSA-N 0 3 296.331 -1.690 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001182174294 781709793 /nfs/dbraw/zinc/70/97/93/781709793.db2.gz VLVWCSRBUNHTFN-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001182174071 781710079 /nfs/dbraw/zinc/71/00/79/781710079.db2.gz UJZHUPNRCGYRHN-BDAKNGLRSA-N 0 3 268.317 -1.799 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001182145438 781711943 /nfs/dbraw/zinc/71/19/43/781711943.db2.gz PNTJHHONYPDDRI-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](N[C@@H](CC)C(N)=O)C1 ZINC001182145164 781712185 /nfs/dbraw/zinc/71/21/85/781712185.db2.gz JGRZYVAIKXISJT-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC)C1 ZINC001182145831 781712203 /nfs/dbraw/zinc/71/22/03/781712203.db2.gz XXEDMSYDYJYMJQ-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001182145830 781712237 /nfs/dbraw/zinc/71/22/37/781712237.db2.gz XXEDMSYDYJYMJQ-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN Cc1nc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)co1 ZINC001182156038 781713436 /nfs/dbraw/zinc/71/34/36/781713436.db2.gz ARMWVXVCLVXUBY-MRVPVSSYSA-N 0 3 295.299 -1.018 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](NCc2n[nH]c(C)n2)C1 ZINC001182179105 781713748 /nfs/dbraw/zinc/71/37/48/781713748.db2.gz LNEXCOOPKCWKBL-SECBINFHSA-N 0 3 280.332 -1.060 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCCN(C)C2=O)C1 ZINC001182179769 781713797 /nfs/dbraw/zinc/71/37/97/781713797.db2.gz SGNQWHBPSDMEFX-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001182178542 781713913 /nfs/dbraw/zinc/71/39/13/781713913.db2.gz CJUISMUKYNFHEY-BDAKNGLRSA-N 0 3 296.327 -1.882 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001182178543 781713962 /nfs/dbraw/zinc/71/39/62/781713962.db2.gz CJUISMUKYNFHEY-RKDXNWHRSA-N 0 3 296.327 -1.882 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182194163 781714582 /nfs/dbraw/zinc/71/45/82/781714582.db2.gz HXVKHJVJLCBBGF-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001182195192 781714674 /nfs/dbraw/zinc/71/46/74/781714674.db2.gz SUCBGQIYMOEJGS-BIIVOSGPSA-N 0 3 271.321 -1.893 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182194200 781715083 /nfs/dbraw/zinc/71/50/83/781715083.db2.gz IKNFBAZAPLTCPL-HRDYMLBCSA-N 0 3 285.348 -1.632 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001182180097 781715382 /nfs/dbraw/zinc/71/53/82/781715382.db2.gz YKYOWJRFKASNRH-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001182194726 781715446 /nfs/dbraw/zinc/71/54/46/781715446.db2.gz MLVRKDFXNRXOSZ-YIZRAAEISA-N 0 3 283.332 -1.878 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001182257917 781715711 /nfs/dbraw/zinc/71/57/11/781715711.db2.gz DXEYUACVHVRNEI-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182268461 781715823 /nfs/dbraw/zinc/71/58/23/781715823.db2.gz SHDVTJRGVJEHQT-RKDXNWHRSA-N 0 3 284.316 -1.627 20 0 CAADHN CO[C@H](C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1)C1CC1 ZINC001182240795 781715918 /nfs/dbraw/zinc/71/59/18/781715918.db2.gz RIOXNIFZWFQYKC-KOLCDFICSA-N 0 3 298.343 -1.203 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001182250002 781716314 /nfs/dbraw/zinc/71/63/14/781716314.db2.gz NWZBTSDXLWWPIQ-SSDOTTSWSA-N 0 3 295.303 -2.186 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001182266923 781716456 /nfs/dbraw/zinc/71/64/56/781716456.db2.gz JULHXPKXCBAZSV-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001182195398 781716488 /nfs/dbraw/zinc/71/64/88/781716488.db2.gz VPPAQEBPGHCDSW-IVZWLZJFSA-N 0 3 297.359 -1.536 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182303009 781716500 /nfs/dbraw/zinc/71/65/00/781716500.db2.gz PUAKBRBSKNGDAO-MRVPVSSYSA-N 0 3 266.305 -1.635 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001182195420 781716524 /nfs/dbraw/zinc/71/65/24/781716524.db2.gz WBAJXPXVLLZBQF-WCBMZHEXSA-N 0 3 297.359 -1.488 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182266723 781716552 /nfs/dbraw/zinc/71/65/52/781716552.db2.gz HPDKHGBBCCJFOJ-ZJUUUORDSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001182195544 781716573 /nfs/dbraw/zinc/71/65/73/781716573.db2.gz ZFELNFJHVQLPOQ-LPEHRKFASA-N 0 3 299.375 -1.290 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1)C(=O)N(C)C ZINC001182195543 781716655 /nfs/dbraw/zinc/71/66/55/781716655.db2.gz ZFELNFJHVQLPOQ-KXUCPTDWSA-N 0 3 299.375 -1.290 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001110269262 781716754 /nfs/dbraw/zinc/71/67/54/781716754.db2.gz WYJDYMBAOCNMPD-BBBLOLIVSA-N 0 3 270.333 -1.241 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001182248657 781716764 /nfs/dbraw/zinc/71/67/64/781716764.db2.gz CDBSVAJVEUBFLM-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001182257916 781717026 /nfs/dbraw/zinc/71/70/26/781717026.db2.gz DXEYUACVHVRNEI-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182303085 781717928 /nfs/dbraw/zinc/71/79/28/781717928.db2.gz RYGDEXIXSNCPEC-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001182303084 781717953 /nfs/dbraw/zinc/71/79/53/781717953.db2.gz RYGDEXIXSNCPEC-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001182351517 781718046 /nfs/dbraw/zinc/71/80/46/781718046.db2.gz KYILLCQWXYISSA-SSDOTTSWSA-N 0 3 280.288 -1.591 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001182343530 781718280 /nfs/dbraw/zinc/71/82/80/781718280.db2.gz MFYUYQMMCQDCDA-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001182296174 781718391 /nfs/dbraw/zinc/71/83/91/781718391.db2.gz VRSXYJXXUWJTJF-PSASIEDQSA-N 0 3 286.332 -1.611 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001182344806 781718412 /nfs/dbraw/zinc/71/84/12/781718412.db2.gz SWIRSXBWOSUBNW-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182302816 781718523 /nfs/dbraw/zinc/71/85/23/781718523.db2.gz KGYRXGHVEBGFHI-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CCNC(=O)NC)C1)C(N)=O ZINC001182342671 781718579 /nfs/dbraw/zinc/71/85/79/781718579.db2.gz DIQJYGVUWSUQPI-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001110273448 781718584 /nfs/dbraw/zinc/71/85/84/781718584.db2.gz PKLYXWYHHQJRRO-HLTSFMKQSA-N 0 3 256.306 -1.632 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2ncc[nH]2)C1)C(=O)NC(N)=O ZINC001182373477 781720343 /nfs/dbraw/zinc/72/03/43/781720343.db2.gz XBHWZCVAVRVRET-JGVFFNPUSA-N 0 3 294.315 -1.203 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001182392571 781721623 /nfs/dbraw/zinc/72/16/23/781721623.db2.gz RJXXGUFLSKKXCC-BDAKNGLRSA-N 0 3 255.318 -1.319 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2C[C@H]2C(N)=O)CC1 ZINC001182392574 781721853 /nfs/dbraw/zinc/72/18/53/781721853.db2.gz RJXXGUFLSKKXCC-RKDXNWHRSA-N 0 3 255.318 -1.319 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@H]2C[C@@H]2C(N)=O)CC1 ZINC001182392573 781721980 /nfs/dbraw/zinc/72/19/80/781721980.db2.gz RJXXGUFLSKKXCC-IUCAKERBSA-N 0 3 255.318 -1.319 20 0 CAADHN Cc1c[nH]nc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001182390082 781721988 /nfs/dbraw/zinc/72/19/88/781721988.db2.gz YMGJGFZFTNMQAK-MRVPVSSYSA-N 0 3 294.315 -1.283 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)[nH]1 ZINC001182432347 781722726 /nfs/dbraw/zinc/72/27/26/781722726.db2.gz WXZHVGANPLWADR-SNVBAGLBSA-N 0 3 294.359 -1.066 20 0 CAADHN CNS(=O)(=O)CCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001182496507 781723932 /nfs/dbraw/zinc/72/39/32/781723932.db2.gz MIZBAHPIROLPKT-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN C[C@@H](CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1)NC(N)=O ZINC001182553923 781724249 /nfs/dbraw/zinc/72/42/49/781724249.db2.gz NXLFVOGLHMIVDS-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001182531063 781724422 /nfs/dbraw/zinc/72/44/22/781724422.db2.gz SNQOHHRFCQREBN-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001182552949 781724829 /nfs/dbraw/zinc/72/48/29/781724829.db2.gz HEUVJVYZKHYXKF-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001182513620 781725091 /nfs/dbraw/zinc/72/50/91/781725091.db2.gz GCWDBLAEJSUORV-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182598271 781725251 /nfs/dbraw/zinc/72/52/51/781725251.db2.gz CBCXSKMQMAKJEE-SNVBAGLBSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)Cn2ncnn2)C1)C(=O)N(C)C ZINC001182608052 781725598 /nfs/dbraw/zinc/72/55/98/781725598.db2.gz YJVZYGFISAHVEP-VHSXEESVSA-N 0 3 295.347 -1.660 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001182701097 781725751 /nfs/dbraw/zinc/72/57/51/781725751.db2.gz NLGNBEIBOGZLDF-CWSCBRNRSA-N 0 3 267.329 -1.041 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182599684 781726298 /nfs/dbraw/zinc/72/62/98/781726298.db2.gz XGQQCRUSDGEBNT-SECBINFHSA-N 0 3 281.320 -2.048 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182606493 781726397 /nfs/dbraw/zinc/72/63/97/781726397.db2.gz DNIWOMOQAZMFRU-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001182773634 781727069 /nfs/dbraw/zinc/72/70/69/781727069.db2.gz PHXNCYGRFBLYIW-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001182763647 781727200 /nfs/dbraw/zinc/72/72/00/781727200.db2.gz GRHHEAHLFPITND-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001182763648 781727826 /nfs/dbraw/zinc/72/78/26/781727826.db2.gz GRHHEAHLFPITND-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN N=c1cc(CN)ncn1C(=O)C1CS(=O)(=O)C1 ZINC001182815368 781728452 /nfs/dbraw/zinc/72/84/52/781728452.db2.gz JWSMCGVNFKBOIO-UHFFFAOYSA-N 0 3 256.287 -1.494 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182879430 781730614 /nfs/dbraw/zinc/73/06/14/781730614.db2.gz NLQOWYCLTXSNMA-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182878933 781730874 /nfs/dbraw/zinc/73/08/74/781730874.db2.gz CDXPFISIVLQVIH-SECBINFHSA-N 0 3 266.305 -1.785 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182879829 781730925 /nfs/dbraw/zinc/73/09/25/781730925.db2.gz WTNCYOCOMCFTEV-SNVBAGLBSA-N 0 3 280.332 -1.443 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300791 781731674 /nfs/dbraw/zinc/73/16/74/781731674.db2.gz PYZLHLTUWSJECT-QMMMGPOBSA-N 0 3 292.361 -2.528 20 0 CAADHN CS(=O)(=O)NCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001183016630 781732669 /nfs/dbraw/zinc/73/26/69/781732669.db2.gz YQBAROJEYJDVIX-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1CCNC1=O ZINC001183001996 781732793 /nfs/dbraw/zinc/73/27/93/781732793.db2.gz OMPCNEOWVROYOO-NXEZZACHSA-N 0 3 255.318 -1.089 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)[C@@H]1CCNC1=O ZINC001183001998 781732964 /nfs/dbraw/zinc/73/29/64/781732964.db2.gz OMPCNEOWVROYOO-VHSXEESVSA-N 0 3 255.318 -1.089 20 0 CAADHN CCS(=O)(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001182991417 781733290 /nfs/dbraw/zinc/73/32/90/781733290.db2.gz IXLOIZPOPMMFLG-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1 ZINC001182998676 781733388 /nfs/dbraw/zinc/73/33/88/781733388.db2.gz FTTDFFRNAQKUSD-LLVKDONJSA-N 0 3 296.371 -1.209 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001183026996 781733833 /nfs/dbraw/zinc/73/38/33/781733833.db2.gz GIZXSAZFSVNQEB-VIFPVBQESA-N 0 3 255.318 -1.305 20 0 CAADHN CC(C)C(=O)N(C)CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001182982077 781734096 /nfs/dbraw/zinc/73/40/96/781734096.db2.gz LTVQUWCSVSISQU-SNVBAGLBSA-N 0 3 284.360 -1.223 20 0 CAADHN COCC(=O)NCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001183032139 781734320 /nfs/dbraw/zinc/73/43/20/781734320.db2.gz BKGPQCLCTKRAHA-SECBINFHSA-N 0 3 286.332 -2.185 20 0 CAADHN CCN1C[C@@H](C(=O)N2CC[C@@H](NCC(=O)NC)C2)CC1=O ZINC001182982119 781734460 /nfs/dbraw/zinc/73/44/60/781734460.db2.gz MVAPCGTYEGNAPZ-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001183073038 781736465 /nfs/dbraw/zinc/73/64/65/781736465.db2.gz NWJNCXYCZKFDSZ-ZJUUUORDSA-N 0 3 270.333 -1.201 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151306172 781737974 /nfs/dbraw/zinc/73/79/74/781737974.db2.gz ARRXRZKDBWVSSK-JGVFFNPUSA-N 0 3 292.361 -2.482 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001183055194 781738877 /nfs/dbraw/zinc/73/88/77/781738877.db2.gz UWMCSSXAYWULDM-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN Cc1cc(CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)n(C)n1 ZINC001183104615 781738914 /nfs/dbraw/zinc/73/89/14/781738914.db2.gz VPBMMIBCLKOLBE-UWVGGRQHSA-N 0 3 265.317 -1.253 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001183222706 781739613 /nfs/dbraw/zinc/73/96/13/781739613.db2.gz SLLMZZMIDZPDFU-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCCn2ccnn2)C1 ZINC001183194196 781739691 /nfs/dbraw/zinc/73/96/91/781739691.db2.gz XORSOAZLUJDLQW-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@@H](NCCNC(=O)c1cncc(C(N)=O)c1)C(N)=O ZINC001151318834 781741020 /nfs/dbraw/zinc/74/10/20/781741020.db2.gz ZMJUNWYQVRNIFR-SSDOTTSWSA-N 0 3 279.300 -1.626 20 0 CAADHN C[C@H](NCCNC(=O)c1cncc(C(N)=O)c1)C(N)=O ZINC001151318836 781741093 /nfs/dbraw/zinc/74/10/93/781741093.db2.gz ZMJUNWYQVRNIFR-ZETCQYMHSA-N 0 3 279.300 -1.626 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC001183304866 781741105 /nfs/dbraw/zinc/74/11/05/781741105.db2.gz ZFJBUVKNGOUHGD-SECBINFHSA-N 0 3 293.327 -1.174 20 0 CAADHN CC[C@]1(C(=O)N2CC[C@@H](NCC(=O)NC)C2)CCNC1=O ZINC001183391354 781742246 /nfs/dbraw/zinc/74/22/46/781742246.db2.gz PHHJGPKRLTZQMQ-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183427012 781742579 /nfs/dbraw/zinc/74/25/79/781742579.db2.gz FRMZKMCFJZVDDU-RKDXNWHRSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1 ZINC001183427009 781742699 /nfs/dbraw/zinc/74/26/99/781742699.db2.gz FRMZKMCFJZVDDU-DTWKUNHWSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)[C@H](C(=O)N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O)N(C)C ZINC001183366307 781742772 /nfs/dbraw/zinc/74/27/72/781742772.db2.gz ZPQGJAZSOKISLL-OOCWMUITSA-N 0 3 274.361 -1.209 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183482648 781743126 /nfs/dbraw/zinc/74/31/26/781743126.db2.gz ROPZRSZHBOYXET-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001183435390 781743165 /nfs/dbraw/zinc/74/31/65/781743165.db2.gz BDZDWKFVQRATCK-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001183428363 781743185 /nfs/dbraw/zinc/74/31/85/781743185.db2.gz WWLBQWIUOKFXPO-SNVBAGLBSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001183495590 781744068 /nfs/dbraw/zinc/74/40/68/781744068.db2.gz APOOUOVGXZCGHE-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN O=C(CCN1CCCC1=O)NCCNCC(=O)N1CCC1 ZINC001151346277 781747037 /nfs/dbraw/zinc/74/70/37/781747037.db2.gz OMPHVLQVQZRWDT-UHFFFAOYSA-N 0 3 296.371 -1.063 20 0 CAADHN N=C(NC(=O)Cn1cc(F)c(=O)[n-]c1=O)SCC[NH3+] ZINC001183662373 781748727 /nfs/dbraw/zinc/74/87/27/781748727.db2.gz MXLWHXZOKOSTFB-UHFFFAOYSA-N 0 3 289.292 -1.169 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001183722506 781753674 /nfs/dbraw/zinc/75/36/74/781753674.db2.gz SVJHAFMMTXHLTR-SECBINFHSA-N 0 3 299.331 -3.086 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CC[C@@H](NCCF)C1 ZINC001183721654 781754054 /nfs/dbraw/zinc/75/40/54/781754054.db2.gz KMINAXLBOCPYTP-SNVBAGLBSA-N 0 3 288.323 -1.601 20 0 CAADHN O=C(C[C@@H]1NC(=O)CNC1=O)N1CCN2CCC1CC2 ZINC001183728110 781756100 /nfs/dbraw/zinc/75/61/00/781756100.db2.gz HFJOSZXDCXJZOL-JTQLQIEISA-N 0 3 280.328 -1.702 20 0 CAADHN CN(C)C1(C)CN(C(=O)C[C@@H]2NC(=O)CNC2=O)C1 ZINC001183728113 781756459 /nfs/dbraw/zinc/75/64/59/781756459.db2.gz HIUYJTRQCHXPMS-QMMMGPOBSA-N 0 3 268.317 -1.846 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001183867655 781759324 /nfs/dbraw/zinc/75/93/24/781759324.db2.gz HNCMXBRNYYSPPF-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@H](C)C(=O)NCC(=O)NCCNCC(N)=O ZINC001151366639 781759690 /nfs/dbraw/zinc/75/96/90/781759690.db2.gz PKQUBQLOXGYVEW-QMMMGPOBSA-N 0 3 258.322 -1.660 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC001183867663 781759899 /nfs/dbraw/zinc/75/98/99/781759899.db2.gz HTQJSPVPFXJFBJ-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNCCNC(=O)CS(=O)(=O)NC ZINC001151373251 781759917 /nfs/dbraw/zinc/75/99/17/781759917.db2.gz LEKLIAJHYAVKQF-UHFFFAOYSA-N 0 3 266.323 -3.013 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN[C@@H]1CCNC1=O ZINC001151379862 781760665 /nfs/dbraw/zinc/76/06/65/781760665.db2.gz VVPPILKHKBIGAT-SSDOTTSWSA-N 0 3 278.334 -2.870 20 0 CAADHN C[C@@H]1NC(=O)[C@H](CCC(=O)N2CC(C)(N(C)C)C2)NC1=O ZINC001184074554 781760849 /nfs/dbraw/zinc/76/08/49/781760849.db2.gz MSWXFLYFURIQER-UWVGGRQHSA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001184101200 781764665 /nfs/dbraw/zinc/76/46/65/781764665.db2.gz YLENAJZFXAPAAG-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CCCS(=O)(=O)CC(=O)NCCN[C@@H](C)C(=O)NC ZINC001151405172 781765250 /nfs/dbraw/zinc/76/52/50/781765250.db2.gz ODXGODGVALXBFE-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN COCC1(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CC1 ZINC001184258673 781765599 /nfs/dbraw/zinc/76/55/99/781765599.db2.gz NAUAFQIZPDVXFZ-SECBINFHSA-N 0 3 298.343 -1.202 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCNC/C=C\Cl ZINC001151390680 781765652 /nfs/dbraw/zinc/76/56/52/781765652.db2.gz MANPDKFZJJCGOM-IHWYPQMZSA-N 0 3 269.754 -1.006 20 0 CAADHN CC[C@@H](NCCNC(=O)CS(=O)(=O)C(C)C)C(N)=O ZINC001151405440 781765835 /nfs/dbraw/zinc/76/58/35/781765835.db2.gz XFDGWGBGFHXGNK-SECBINFHSA-N 0 3 293.389 -1.221 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NCCN[C@@H](C)C(N)=O ZINC001151399413 781766159 /nfs/dbraw/zinc/76/61/59/781766159.db2.gz DPMFVQWISASDLK-QMMMGPOBSA-N 0 3 279.362 -1.611 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(COC)CCOC2)C1 ZINC001184618519 781767957 /nfs/dbraw/zinc/76/79/57/781767957.db2.gz DFAFRZSWGYNMSM-RISCZKNCSA-N 0 3 299.371 -1.024 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CNC(=O)C2)C1 ZINC001184500236 781768458 /nfs/dbraw/zinc/76/84/58/781768458.db2.gz SJMAERSCMVMWBC-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001184594696 781768883 /nfs/dbraw/zinc/76/88/83/781768883.db2.gz USWKIPJIRHAJIX-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185314410 781783634 /nfs/dbraw/zinc/78/36/34/781783634.db2.gz ZMYOXPHULHSTTP-SSDOTTSWSA-N 0 3 278.334 -2.789 20 0 CAADHN COC[C@@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCOC1 ZINC001184639232 781769591 /nfs/dbraw/zinc/76/95/91/781769591.db2.gz YZBSLWVNIUXBSG-MFKMUULPSA-N 0 3 285.344 -1.285 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001184777823 781769827 /nfs/dbraw/zinc/76/98/27/781769827.db2.gz DHIWCYSRMOPUNE-SSDOTTSWSA-N 0 3 295.303 -1.888 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184833712 781769863 /nfs/dbraw/zinc/76/98/63/781769863.db2.gz KCFFYOHBFKSWOV-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184833108 781769935 /nfs/dbraw/zinc/76/99/35/781769935.db2.gz AIMZNHDBCXMHBH-RKDXNWHRSA-N 0 3 268.317 -1.941 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001184792876 781770028 /nfs/dbraw/zinc/77/00/28/781770028.db2.gz XGBCXLBQZKEAQU-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001184779565 781770324 /nfs/dbraw/zinc/77/03/24/781770324.db2.gz ZERHWOVUZWVWAD-MRVPVSSYSA-N 0 3 266.305 -1.337 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184726549 781770368 /nfs/dbraw/zinc/77/03/68/781770368.db2.gz YURPQJIQZBENLG-BDAKNGLRSA-N 0 3 280.332 -1.022 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184833218 781770406 /nfs/dbraw/zinc/77/04/06/781770406.db2.gz CQBLKUFYIPJIFN-ZJUUUORDSA-N 0 3 282.344 -1.599 20 0 CAADHN C[C@H]1CN(C(=O)c2cn[n-]n2)CC[C@H]1C[NH2+]CC(N)=O ZINC001184726554 781770480 /nfs/dbraw/zinc/77/04/80/781770480.db2.gz YURPQJIQZBENLG-IUCAKERBSA-N 0 3 280.332 -1.022 20 0 CAADHN COC[C@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCOC1 ZINC001184639233 781770518 /nfs/dbraw/zinc/77/05/18/781770518.db2.gz YZBSLWVNIUXBSG-ZWNOBZJWSA-N 0 3 285.344 -1.285 20 0 CAADHN Cc1n[nH]cc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001184738801 781770617 /nfs/dbraw/zinc/77/06/17/781770617.db2.gz PUTPRHXTHUPVGS-MRVPVSSYSA-N 0 3 294.315 -1.283 20 0 CAADHN NC(=O)CNCCNC(=O)CCCn1cccn1 ZINC001151423926 781771048 /nfs/dbraw/zinc/77/10/48/781771048.db2.gz WJEAZSUXTUPZTH-UHFFFAOYSA-N 0 3 253.306 -1.146 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184858556 781771257 /nfs/dbraw/zinc/77/12/57/781771257.db2.gz OJGWSWILGNCSBD-MNOVXSKESA-N 0 3 296.371 -1.162 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1)NC1CC1 ZINC001184859126 781771403 /nfs/dbraw/zinc/77/14/03/781771403.db2.gz VQOYMDHJVSBTHK-MNOVXSKESA-N 0 3 294.355 -1.408 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184858260 781771502 /nfs/dbraw/zinc/77/15/02/781771502.db2.gz IWNFPCXLWCCOMJ-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001184868096 781771579 /nfs/dbraw/zinc/77/15/79/781771579.db2.gz QOYJHEDLEJZEGS-JGVFFNPUSA-N 0 3 256.306 -1.826 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001184842767 781771869 /nfs/dbraw/zinc/77/18/69/781771869.db2.gz VNHBCKKNNAHHQQ-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184858555 781771877 /nfs/dbraw/zinc/77/18/77/781771877.db2.gz OJGWSWILGNCSBD-GHMZBOCLSA-N 0 3 296.371 -1.162 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001184840932 781771941 /nfs/dbraw/zinc/77/19/41/781771941.db2.gz GWNJAOMMABJEPQ-ZJUUUORDSA-N 0 3 297.359 -1.711 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001184843054 781771969 /nfs/dbraw/zinc/77/19/69/781771969.db2.gz XUPBXLCLGWQUAM-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001184842754 781772198 /nfs/dbraw/zinc/77/21/98/781772198.db2.gz VNHBCKKNNAHHQQ-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184943845 781773032 /nfs/dbraw/zinc/77/30/32/781773032.db2.gz HXJDHDMDRXVLHJ-AXFHLTTASA-N 0 3 296.371 -1.068 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001185041603 781773430 /nfs/dbraw/zinc/77/34/30/781773430.db2.gz HDXPNZFRLVYCOW-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001185041604 781773578 /nfs/dbraw/zinc/77/35/78/781773578.db2.gz HDXPNZFRLVYCOW-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001185099784 781775411 /nfs/dbraw/zinc/77/54/11/781775411.db2.gz SANPMJBZLZPORG-SECBINFHSA-N 0 3 295.299 -1.398 20 0 CAADHN CN(C)C(=O)CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001186164183 781801141 /nfs/dbraw/zinc/80/11/41/781801141.db2.gz OYSHVCIJKFWTPL-MRVPVSSYSA-N 0 3 256.306 -1.860 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185257674 781776208 /nfs/dbraw/zinc/77/62/08/781776208.db2.gz WQQCLMJLFOUXSB-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN CN1CCN(C)[C@@H](C(=O)N[C@@H](CO)Cc2c[nH]cn2)C1 ZINC001185262373 781780381 /nfs/dbraw/zinc/78/03/81/781780381.db2.gz NELCJACRWLAIFB-VXGBXAGGSA-N 0 3 281.360 -1.325 20 0 CAADHN CN1CCN(C)[C@@H](C(=O)N[C@@H](CO)Cc2cnc[nH]2)C1 ZINC001185262373 781780392 /nfs/dbraw/zinc/78/03/92/781780392.db2.gz NELCJACRWLAIFB-VXGBXAGGSA-N 0 3 281.360 -1.325 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185264130 781781032 /nfs/dbraw/zinc/78/10/32/781781032.db2.gz AQXAXYSHJAAYMJ-RNFRBKRXSA-N 0 3 298.303 -2.947 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@H]2CN(C)CCN2C)CC1 ZINC001185268573 781781246 /nfs/dbraw/zinc/78/12/46/781781246.db2.gz DIBYXVWVAPEUGQ-GFCCVEGCSA-N 0 3 284.404 -1.195 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185266021 781781853 /nfs/dbraw/zinc/78/18/53/781781853.db2.gz XMGMMKPIDQQSGC-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)NC1CC1 ZINC001185265967 781782703 /nfs/dbraw/zinc/78/27/03/781782703.db2.gz VHIWXVDFCPOFPV-ZJUUUORDSA-N 0 3 295.343 -1.863 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289026 781783933 /nfs/dbraw/zinc/78/39/33/781783933.db2.gz FCBHEAJOTMZRAH-DTWKUNHWSA-N 0 3 282.344 -1.423 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289825 781784058 /nfs/dbraw/zinc/78/40/58/781784058.db2.gz VYGDNXZORUDBJN-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289059 781784185 /nfs/dbraw/zinc/78/41/85/781784185.db2.gz GOGCNGNCMPMGBN-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(CCN[C@@H]1CCN(C(=O)C(N)=O)C1)S(C)(=O)=O ZINC001185333860 781784699 /nfs/dbraw/zinc/78/46/99/781784699.db2.gz CNKHAJUGPOMNNK-MRVPVSSYSA-N 0 3 292.361 -2.446 20 0 CAADHN C[C@H]1CN(C(=O)c2nc[n-]n2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185326116 781784888 /nfs/dbraw/zinc/78/48/88/781784888.db2.gz DDTZDCQZNRDYIG-DTWKUNHWSA-N 0 3 280.332 -1.022 20 0 CAADHN C[C@H]1CN(C(=O)c2nc[n-]n2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185326118 781784907 /nfs/dbraw/zinc/78/49/07/781784907.db2.gz DDTZDCQZNRDYIG-IUCAKERBSA-N 0 3 280.332 -1.022 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001185392277 781785806 /nfs/dbraw/zinc/78/58/06/781785806.db2.gz KDPNBCVWEHJSFA-MRVPVSSYSA-N 0 3 281.316 -1.324 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001185633130 781786662 /nfs/dbraw/zinc/78/66/62/781786662.db2.gz LQASCCJOQWKAHL-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN COC[C@H](OC)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001185551190 781786898 /nfs/dbraw/zinc/78/68/98/781786898.db2.gz STGRPVBHCHDHPR-BDAKNGLRSA-N 0 3 259.306 -1.676 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H](COC)OC)C1 ZINC001185504321 781786940 /nfs/dbraw/zinc/78/69/40/781786940.db2.gz OFUYWRWDSBVJDP-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H](COC)OC)C1 ZINC001185539847 781787024 /nfs/dbraw/zinc/78/70/24/781787024.db2.gz QPCZJLVRTRJARK-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001185479468 781787121 /nfs/dbraw/zinc/78/71/21/781787121.db2.gz ZIWVWIFXFJZHJT-YGRLFVJLSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001185633129 781787230 /nfs/dbraw/zinc/78/72/30/781787230.db2.gz LQASCCJOQWKAHL-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001185486792 781787433 /nfs/dbraw/zinc/78/74/33/781787433.db2.gz JSNDAWWDIJVJMI-YGRLFVJLSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001185476932 781787831 /nfs/dbraw/zinc/78/78/31/781787831.db2.gz FSMVCZOWRYRBRY-RULNRJAQSA-N 0 3 296.371 -1.020 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185685032 781788475 /nfs/dbraw/zinc/78/84/75/781788475.db2.gz VUEXKGKPGAFERT-PRJMDXOYSA-N 0 3 297.315 -2.507 20 0 CAADHN COCC[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001151499008 781789107 /nfs/dbraw/zinc/78/91/07/781789107.db2.gz YGAVTWSFEMVIDA-MRVPVSSYSA-N 0 3 274.321 -1.440 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001185684444 781789183 /nfs/dbraw/zinc/78/91/83/781789183.db2.gz NLOXANSTPIDZTA-MXWKQRLJSA-N 0 3 296.371 -1.353 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001185867029 781789849 /nfs/dbraw/zinc/78/98/49/781789849.db2.gz WFRILZHBBYPNRE-SECBINFHSA-N 0 3 292.299 -1.524 20 0 CAADHN C[C@@H]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)O1 ZINC001185776118 781790573 /nfs/dbraw/zinc/79/05/73/781790573.db2.gz SPCVVLGBWGEBOJ-OPRDCNLKSA-N 0 3 298.343 -1.061 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)COC[C@H]2CCOC2)C1 ZINC001186042425 781793137 /nfs/dbraw/zinc/79/31/37/781793137.db2.gz YNEHIISVOBFFQO-WDEREUQCSA-N 0 3 285.344 -1.285 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)COC[C@@H]2CCOC2)C1 ZINC001186040040 781793185 /nfs/dbraw/zinc/79/31/85/781793185.db2.gz BOMNYRSVNCQFKV-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN COCCO[C@@H](C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001186059404 781798611 /nfs/dbraw/zinc/79/86/11/781798611.db2.gz LGCAIXUQIYHQNJ-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186164491 781800409 /nfs/dbraw/zinc/80/04/09/781800409.db2.gz ZCOJBPFHENXQRW-SECBINFHSA-N 0 3 270.333 -1.599 20 0 CAADHN CN(C)C(=O)CC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001186163712 781802561 /nfs/dbraw/zinc/80/25/61/781802561.db2.gz BKJLJJSOVFPAOE-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186163974 781802657 /nfs/dbraw/zinc/80/26/57/781802657.db2.gz JBUTXMMJUDEPME-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001186260534 781803422 /nfs/dbraw/zinc/80/34/22/781803422.db2.gz YONSSZKINNPIJL-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1)C(N)=O ZINC001186185231 781803559 /nfs/dbraw/zinc/80/35/59/781803559.db2.gz WMMYCKGBBMBSLT-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001186259279 781803605 /nfs/dbraw/zinc/80/36/05/781803605.db2.gz JHGHPONTLWSJFA-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1)C(N)=O ZINC001186171179 781803812 /nfs/dbraw/zinc/80/38/12/781803812.db2.gz PDBRXHHBDNNZMC-RKDXNWHRSA-N 0 3 270.333 -1.471 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186185051 781803921 /nfs/dbraw/zinc/80/39/21/781803921.db2.gz SNQVYEVZPQRVKS-NXEZZACHSA-N 0 3 284.360 -1.210 20 0 CAADHN CN(C)C(=O)CC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001186171145 781803998 /nfs/dbraw/zinc/80/39/98/781803998.db2.gz NKWRZIJAZPWYHO-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1)C(N)=O ZINC001186339203 781804023 /nfs/dbraw/zinc/80/40/23/781804023.db2.gz PTDIDUFVLMNXIZ-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001186303760 781804552 /nfs/dbraw/zinc/80/45/52/781804552.db2.gz GMYLRDIXJIJATH-SECBINFHSA-N 0 3 296.327 -2.024 20 0 CAADHN CN(C)C(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001186170488 781804643 /nfs/dbraw/zinc/80/46/43/781804643.db2.gz ADFBGAAXWQNCOC-NXEZZACHSA-N 0 3 282.344 -1.456 20 0 CAADHN CN(C)C(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001186171144 781805091 /nfs/dbraw/zinc/80/50/91/781805091.db2.gz NKWRZIJAZPWYHO-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186443862 781805537 /nfs/dbraw/zinc/80/55/37/781805537.db2.gz CKIYZZQZIAGODW-SSDOTTSWSA-N 0 3 295.303 -1.936 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186445411 781806028 /nfs/dbraw/zinc/80/60/28/781806028.db2.gz WAOLHOAIRJPKEV-MRVPVSSYSA-N 0 3 266.305 -1.255 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186445449 781806092 /nfs/dbraw/zinc/80/60/92/781806092.db2.gz XTFFADYBTGNDKG-MRVPVSSYSA-N 0 3 266.305 -1.303 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001186693340 781810015 /nfs/dbraw/zinc/81/00/15/781810015.db2.gz JCNVSOFPLQWDPE-QJPTWQEYSA-N 0 3 294.355 -1.456 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001186693341 781810491 /nfs/dbraw/zinc/81/04/91/781810491.db2.gz JCNVSOFPLQWDPE-SDDRHHMPSA-N 0 3 294.355 -1.456 20 0 CAADHN Cn1cnnc1COCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001186692152 781811138 /nfs/dbraw/zinc/81/11/38/781811138.db2.gz YABAEMLEECKXPW-SECBINFHSA-N 0 3 296.331 -1.993 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cc2nonc2C)C1 ZINC001186695429 781811980 /nfs/dbraw/zinc/81/19/80/781811980.db2.gz VWIWBOXGNSBHPQ-SECBINFHSA-N 0 3 281.316 -1.143 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001273527572 781812181 /nfs/dbraw/zinc/81/21/81/781812181.db2.gz TWTQNCWQNVIYQQ-JTQLQIEISA-N 0 3 284.360 -1.174 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1)C(=O)NC(N)=O ZINC001186776794 781813009 /nfs/dbraw/zinc/81/30/09/781813009.db2.gz JOXDBWKYLSGLKZ-OPRDCNLKSA-N 0 3 298.343 -1.203 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCCn2cncn2)C1 ZINC001186843157 781813054 /nfs/dbraw/zinc/81/30/54/781813054.db2.gz RHLCFQOKADZWHC-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1)C(=O)NC(N)=O ZINC001186776791 781813553 /nfs/dbraw/zinc/81/35/53/781813553.db2.gz JOXDBWKYLSGLKZ-IVZWLZJFSA-N 0 3 298.343 -1.203 20 0 CAADHN CC(=O)N[C@](C)(C(=O)N1CC[C@@H](NCC(N)=O)C1)C1CC1 ZINC001187034595 781814564 /nfs/dbraw/zinc/81/45/64/781814564.db2.gz JRDXKJXJNLWLNK-RISCZKNCSA-N 0 3 296.371 -1.033 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001187079251 781815176 /nfs/dbraw/zinc/81/51/76/781815176.db2.gz KZSPZABZANSEOX-VHSXEESVSA-N 0 3 271.317 -1.133 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220734 781816151 /nfs/dbraw/zinc/81/61/51/781816151.db2.gz LKIWGXGZAMJGFW-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220917 781816169 /nfs/dbraw/zinc/81/61/69/781816169.db2.gz PHPDZDZVNJZKQM-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)NC1CC1 ZINC001187220934 781816257 /nfs/dbraw/zinc/81/62/57/781816257.db2.gz PXIBZHWTTDFJBJ-MNOVXSKESA-N 0 3 294.355 -1.266 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220006 781816491 /nfs/dbraw/zinc/81/64/91/781816491.db2.gz AUGXHWGYWQKOSQ-ZJUUUORDSA-N 0 3 282.344 -1.456 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187221168 781817022 /nfs/dbraw/zinc/81/70/22/781817022.db2.gz UMPZIBBMWVLDMR-MNOVXSKESA-N 0 3 296.371 -1.020 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001187397864 781818684 /nfs/dbraw/zinc/81/86/84/781818684.db2.gz OGQUOWXTFIRHNR-WDEREUQCSA-N 0 3 285.344 -1.597 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCN(C(C)=O)C2)C1 ZINC001187467219 781820645 /nfs/dbraw/zinc/82/06/45/781820645.db2.gz LCXPNMOLHCVXGP-VXGBXAGGSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2OC)C1 ZINC001187435337 781820829 /nfs/dbraw/zinc/82/08/29/781820829.db2.gz NCTNSTPFUORYOQ-SECBINFHSA-N 0 3 295.343 -1.021 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187655473 781825710 /nfs/dbraw/zinc/82/57/10/781825710.db2.gz CGTLZAIFJCWZEV-SECBINFHSA-N 0 3 266.305 -1.785 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187656148 781826339 /nfs/dbraw/zinc/82/63/39/781826339.db2.gz MBDGXUVLXFSURC-MRVPVSSYSA-N 0 3 295.303 -2.337 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698742 781826691 /nfs/dbraw/zinc/82/66/91/781826691.db2.gz JZWOMBYDRXMXPZ-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001273545746 781827191 /nfs/dbraw/zinc/82/71/91/781827191.db2.gz CRQHHWWDDORHOE-IUCAKERBSA-N 0 3 270.333 -1.579 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001273545748 781826954 /nfs/dbraw/zinc/82/69/54/781826954.db2.gz CRQHHWWDDORHOE-RKDXNWHRSA-N 0 3 270.333 -1.579 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001273545512 781827026 /nfs/dbraw/zinc/82/70/26/781827026.db2.gz AKEAOMHPYJVMQY-NXEZZACHSA-N 0 3 284.360 -1.318 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001187698550 781827213 /nfs/dbraw/zinc/82/72/13/781827213.db2.gz GFNDHPLXMOBTGZ-SNVBAGLBSA-N 0 3 297.359 -1.532 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001273545743 781827357 /nfs/dbraw/zinc/82/73/57/781827357.db2.gz CRQHHWWDDORHOE-BDAKNGLRSA-N 0 3 270.333 -1.579 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CCNC(N)=O)C1)C(N)=O ZINC001187692190 781827805 /nfs/dbraw/zinc/82/78/05/781827805.db2.gz PIHKDAAIHDNICP-HTQZYQBOSA-N 0 3 271.321 -1.891 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187664545 781827904 /nfs/dbraw/zinc/82/79/04/781827904.db2.gz RHKOFHJMSOJRQL-LLVKDONJSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001187667621 781828546 /nfs/dbraw/zinc/82/85/46/781828546.db2.gz QPOKRRPCSQECCN-NWDGAFQWSA-N 0 3 299.371 -1.336 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCNC1=O ZINC001273546612 781829002 /nfs/dbraw/zinc/82/90/02/781829002.db2.gz PSUPLIGHZCZOMH-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CN1CCNC(=O)C1 ZINC001273546123 781829061 /nfs/dbraw/zinc/82/90/61/781829061.db2.gz IIAOMEUWBFYGIN-UHFFFAOYSA-N 0 3 285.348 -2.658 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCNC1=O ZINC001273546603 781829096 /nfs/dbraw/zinc/82/90/96/781829096.db2.gz PSUPLIGHZCZOMH-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CCNC(N)=O)C1)C(=O)N(C)C ZINC001187703867 781829224 /nfs/dbraw/zinc/82/92/24/781829224.db2.gz KEJUSRKINIAZRH-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187704705 781829356 /nfs/dbraw/zinc/82/93/56/781829356.db2.gz VSZSTPOOVDMCIX-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187699062 781829446 /nfs/dbraw/zinc/82/94/46/781829446.db2.gz RAWCHVVAUORNNY-SECBINFHSA-N 0 3 285.348 -1.677 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CCNC1=O ZINC001273547313 781829628 /nfs/dbraw/zinc/82/96/28/781829628.db2.gz ZBHRDAAAFAFGOX-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001187850667 781830921 /nfs/dbraw/zinc/83/09/21/781830921.db2.gz FRVUZBCBZORLDX-SECBINFHSA-N 0 3 293.327 -1.336 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CS(=O)(=O)NC)C1 ZINC001187894603 781831333 /nfs/dbraw/zinc/83/13/33/781831333.db2.gz JEIIDSUQMPRAIY-MRVPVSSYSA-N 0 3 292.361 -2.528 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001187996119 781833338 /nfs/dbraw/zinc/83/33/38/781833338.db2.gz APDNLZQGTNINET-SDDRHHMPSA-N 0 3 299.371 -1.338 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001187915990 781833441 /nfs/dbraw/zinc/83/34/41/781833441.db2.gz WUZSDVQSDSAOOY-HTQZYQBOSA-N 0 3 292.361 -2.400 20 0 CAADHN O=C(Cn1cncn1)NCC(=O)N1CC[C@@H](NCCF)C1 ZINC001188100018 781834005 /nfs/dbraw/zinc/83/40/05/781834005.db2.gz ROYDEMISLBHNAO-SNVBAGLBSA-N 0 3 298.322 -1.446 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)C2CCC2)C1 ZINC001188099540 781834338 /nfs/dbraw/zinc/83/43/38/781834338.db2.gz MGKDWHCQTNAJSZ-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CCCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001188272951 781835476 /nfs/dbraw/zinc/83/54/76/781835476.db2.gz LKEXACVQJZTWNR-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001188158003 781835544 /nfs/dbraw/zinc/83/55/44/781835544.db2.gz CHEFPJASACQJLT-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CCOCCOCC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001188165536 781835917 /nfs/dbraw/zinc/83/59/17/781835917.db2.gz KUQCYRXQLALCHS-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN Cc1nonc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001188397756 781837346 /nfs/dbraw/zinc/83/73/46/781837346.db2.gz NHSVVFXMJNJCKK-SSDOTTSWSA-N 0 3 296.287 -1.623 20 0 CAADHN NC(=O)CCCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001188390095 781837363 /nfs/dbraw/zinc/83/73/63/781837363.db2.gz AFMOTDVPIIRDEB-ZJUUUORDSA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001188382387 781838072 /nfs/dbraw/zinc/83/80/72/781838072.db2.gz HHBPMDWAMLGBIC-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@@H](NC(=O)C1CCC1)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001188431308 781838541 /nfs/dbraw/zinc/83/85/41/781838541.db2.gz QAUSWVZMCPMJIN-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCc2cn(C)nn2)C1 ZINC001188446038 781839074 /nfs/dbraw/zinc/83/90/74/781839074.db2.gz GIFRCMBQWOEETB-SNVBAGLBSA-N 0 3 294.359 -1.316 20 0 CAADHN COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001188428421 781839514 /nfs/dbraw/zinc/83/95/14/781839514.db2.gz VAXQRJDZEKABRZ-JBLDHEPKSA-N 0 3 295.343 -1.042 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CCN(C)C1=O ZINC001273562128 781839945 /nfs/dbraw/zinc/83/99/45/781839945.db2.gz KTBOCMWGTWIVAA-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001188495304 781841875 /nfs/dbraw/zinc/84/18/75/781841875.db2.gz KZJKEIKFZIMVIZ-DTWKUNHWSA-N 0 3 296.327 -2.024 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N(C)CCn2cncn2)C1 ZINC001188693918 781844040 /nfs/dbraw/zinc/84/40/40/781844040.db2.gz UDZJBKDHSIEVMF-GFCCVEGCSA-N 0 3 294.359 -1.053 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784749 781844691 /nfs/dbraw/zinc/84/46/91/781844691.db2.gz PRAISUBPIYNKHU-NSHDSACASA-N 0 3 298.347 -1.785 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188784748 781845185 /nfs/dbraw/zinc/84/51/85/781845185.db2.gz PRAISUBPIYNKHU-LLVKDONJSA-N 0 3 298.347 -1.785 20 0 CAADHN CN(CCn1cncn1)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811827 781848305 /nfs/dbraw/zinc/84/83/05/781848305.db2.gz GZMBPYXQWKJFMA-JTQLQIEISA-N 0 3 295.347 -1.521 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCNCc2cnnn2C)C1 ZINC001151748721 781851649 /nfs/dbraw/zinc/85/16/49/781851649.db2.gz JFLDHLUEGDNWLR-LBPRGKRZSA-N 0 3 296.375 -1.258 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1ccoc1CC(N)=O ZINC001273576358 781852013 /nfs/dbraw/zinc/85/20/13/781852013.db2.gz QSBMLMIXLVVSOT-UHFFFAOYSA-N 0 3 296.327 -1.156 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)C1(C(N)=O)CC1 ZINC001273581620 781859472 /nfs/dbraw/zinc/85/94/72/781859472.db2.gz GJLCAMVXSCIBEN-VIFPVBQESA-N 0 3 282.344 -1.422 20 0 CAADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110414888 781862822 /nfs/dbraw/zinc/86/28/22/781862822.db2.gz MJIIVGMPEHBCGS-YTWAJWBKSA-N 0 3 285.344 -1.409 20 0 CAADHN C[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110415017 781863628 /nfs/dbraw/zinc/86/36/28/781863628.db2.gz RWEFXQUBNKYBHP-JLIMGVALSA-N 0 3 255.318 -1.036 20 0 CAADHN C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(N)=O)C2 ZINC001110415018 781863814 /nfs/dbraw/zinc/86/38/14/781863814.db2.gz RWEFXQUBNKYBHP-KYXWUPHJSA-N 0 3 255.318 -1.036 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](N(C)CCOCCO)C1 ZINC001189838112 781866097 /nfs/dbraw/zinc/86/60/97/781866097.db2.gz YWGBGSIBKANDIT-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001189963045 781867986 /nfs/dbraw/zinc/86/79/86/781867986.db2.gz IWUJRKXFHSVOFY-NSHDSACASA-N 0 3 297.359 -1.030 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001189963044 781868406 /nfs/dbraw/zinc/86/84/06/781868406.db2.gz IWUJRKXFHSVOFY-LLVKDONJSA-N 0 3 297.359 -1.030 20 0 CAADHN COCCN(C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187648 781869286 /nfs/dbraw/zinc/86/92/86/781869286.db2.gz QPHKJLFJOPYWNC-SNVBAGLBSA-N 0 3 268.321 -1.148 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187567 781870765 /nfs/dbraw/zinc/87/07/65/781870765.db2.gz PHBVVMUSKLHXOQ-LLVKDONJSA-N 0 3 298.347 -1.785 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001190382363 781871242 /nfs/dbraw/zinc/87/12/42/781871242.db2.gz XEJWTXDZYDOLPO-GFCCVEGCSA-N 0 3 297.359 -1.180 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001190709705 781882399 /nfs/dbraw/zinc/88/23/99/781882399.db2.gz VOYOVLYXCFDSGL-YNEHKIRRSA-N 0 3 299.371 -1.147 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001190709507 781882565 /nfs/dbraw/zinc/88/25/65/781882565.db2.gz OTCKMTIQNKOJSR-GHMZBOCLSA-N 0 3 255.318 -1.306 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@H]1O ZINC001190709703 781882895 /nfs/dbraw/zinc/88/28/95/781882895.db2.gz VOYOVLYXCFDSGL-JHJVBQTASA-N 0 3 299.371 -1.147 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001190786635 781889200 /nfs/dbraw/zinc/88/92/00/781889200.db2.gz UJSKIMZATGDVPW-MVWJERBFSA-N 0 3 287.360 -1.291 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001273611424 781892452 /nfs/dbraw/zinc/89/24/52/781892452.db2.gz YNINKMPRVQYRHQ-ZJUUUORDSA-N 0 3 284.360 -1.189 20 0 CAADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190922931 781892653 /nfs/dbraw/zinc/89/26/53/781892653.db2.gz PVWHBSPACWHSAF-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190894954 781893265 /nfs/dbraw/zinc/89/32/65/781893265.db2.gz NYWQAKTUZABEAV-RKDXNWHRSA-N 0 3 274.321 -2.148 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977062 781894644 /nfs/dbraw/zinc/89/46/44/781894644.db2.gz AYPUFLTYYBLAKE-RKDXNWHRSA-N 0 3 258.322 -1.384 20 0 CAADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977061 781894707 /nfs/dbraw/zinc/89/47/07/781894707.db2.gz AYNXUJREMVONNB-NXEZZACHSA-N 0 3 288.348 -1.757 20 0 CAADHN CCOCCCN1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1 ZINC001190977453 781894743 /nfs/dbraw/zinc/89/47/43/781894743.db2.gz HAKQIFIIHOHZJB-NXEZZACHSA-N 0 3 288.348 -1.757 20 0 CAADHN CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1)OC ZINC001190977965 781895983 /nfs/dbraw/zinc/89/59/83/781895983.db2.gz PPSKYAPTQKRSJO-OPRDCNLKSA-N 0 3 288.348 -1.759 20 0 CAADHN COCCN(C)[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1 ZINC001191041119 781896964 /nfs/dbraw/zinc/89/69/64/781896964.db2.gz OPAMQPOVYDZYFK-NSHDSACASA-N 0 3 297.359 -1.239 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001190952782 781897200 /nfs/dbraw/zinc/89/72/00/781897200.db2.gz ORWKIMZXCZOGEO-RKDXNWHRSA-N 0 3 256.306 -1.774 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001191193789 781900851 /nfs/dbraw/zinc/90/08/51/781900851.db2.gz AEHBKJVEWMXVPB-YNEHKIRRSA-N 0 3 299.371 -1.338 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)C2CC2)C1 ZINC001191315143 781904320 /nfs/dbraw/zinc/90/43/20/781904320.db2.gz WUVNYDSTSZUFQW-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN COC(=O)NCC(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001191384575 781907536 /nfs/dbraw/zinc/90/75/36/781907536.db2.gz ZYDDYRZZSNWOQL-NXEZZACHSA-N 0 3 271.317 -1.086 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001191720221 781916347 /nfs/dbraw/zinc/91/63/47/781916347.db2.gz QSFXEPXSGURDRR-VXGBXAGGSA-N 0 3 299.371 -1.336 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001420301384 890428291 /nfs/dbraw/zinc/42/82/91/890428291.db2.gz HSHFADNBTZRWSE-IWSPIJDZSA-N 0 3 270.333 -1.377 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CCC(=O)N1 ZINC001420337386 890429896 /nfs/dbraw/zinc/42/98/96/890429896.db2.gz JZCLQPXZDZVFEQ-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CN(CCNC(=O)CN1CCCC1)CC(=O)NC(N)=O ZINC001420343662 890431699 /nfs/dbraw/zinc/43/16/99/890431699.db2.gz HHOWDQZEJIWKMC-UHFFFAOYSA-N 0 3 285.348 -1.675 20 0 CAADHN CN(CCCO)CCNC(=O)c1cn(C)c(=O)n1C ZINC001420357646 890433704 /nfs/dbraw/zinc/43/37/04/890433704.db2.gz KOUVWDMFVSNVQT-UHFFFAOYSA-N 0 3 270.333 -1.232 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)C[C@H]1CCOC1 ZINC001420343170 890433770 /nfs/dbraw/zinc/43/37/70/890433770.db2.gz WLUTWPZFFOYSIG-RKDXNWHRSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001420447469 890439411 /nfs/dbraw/zinc/43/94/11/890439411.db2.gz ZABNGULVPKUXJF-DTWKUNHWSA-N 0 3 291.373 -1.609 20 0 CAADHN CCN(CCNC(=O)CCc1cnn[nH]1)CC(=O)NC ZINC001420429936 890440758 /nfs/dbraw/zinc/44/07/58/890440758.db2.gz ZVLCTYJLWBLWQY-UHFFFAOYSA-N 0 3 282.348 -1.079 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)CNC(=O)NC ZINC001420421269 890441540 /nfs/dbraw/zinc/44/15/40/890441540.db2.gz PAQJAFUSCPVPQK-VIFPVBQESA-N 0 3 287.364 -1.464 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CCNS(C)(=O)=O ZINC001420583352 890452357 /nfs/dbraw/zinc/45/23/57/890452357.db2.gz OAMBFLMKPWTKDW-VIFPVBQESA-N 0 3 281.378 -1.646 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001420721490 890461879 /nfs/dbraw/zinc/46/18/79/890461879.db2.gz AYBCTPDQULLVKA-WCBMZHEXSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CCn1ccnn1)C(N)=O ZINC001420719029 890461932 /nfs/dbraw/zinc/46/19/32/890461932.db2.gz ZDSNRCGEQQLVRM-SNVBAGLBSA-N 0 3 282.348 -1.020 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1c[nH]c(C(N)=O)c1)C(N)=O ZINC001420746517 890465166 /nfs/dbraw/zinc/46/51/66/890465166.db2.gz SPWZXWLIYCRQBY-SSDOTTSWSA-N 0 3 281.316 -1.351 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001420796241 890466066 /nfs/dbraw/zinc/46/60/66/890466066.db2.gz KCKTVOODJCTPEA-SECBINFHSA-N 0 3 291.373 -1.609 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1CN[C@H](C)C(N)=O ZINC001421105537 890484613 /nfs/dbraw/zinc/48/46/13/890484613.db2.gz DJHUDBURUPVIKO-SCZZXKLOSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H]1CCN(C[C@@H](C)O)C1 ZINC001421301331 890494336 /nfs/dbraw/zinc/49/43/36/890494336.db2.gz JSKBVKUJXOHICX-ZJUUUORDSA-N 0 3 272.349 -1.171 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001421320125 890495379 /nfs/dbraw/zinc/49/53/79/890495379.db2.gz ODEHGISPJCQNET-SECBINFHSA-N 0 3 294.377 -2.435 20 0 CAADHN CC[C@@H](CNC(=O)COC)N[C@@H](C)C(=O)NC(=O)NC ZINC001421363677 890500430 /nfs/dbraw/zinc/50/04/30/890500430.db2.gz LXFPKYPOXLEOAB-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@]1(C(=O)NC[C@@]2(O)CCN(CCO)C2)CCC(=O)N1 ZINC001421372802 890502593 /nfs/dbraw/zinc/50/25/93/890502593.db2.gz CCRCQCKXCNWHGK-STQMWFEESA-N 0 3 285.344 -1.800 20 0 CAADHN CCC(=O)NCC(=O)NCC1(NCC(N)=O)CCC1 ZINC001421736902 890532442 /nfs/dbraw/zinc/53/24/42/890532442.db2.gz OLCKVXLURWCGAV-UHFFFAOYSA-N 0 3 270.333 -1.374 20 0 CAADHN CCCN(C)CC(=O)NC[C@H]1CN(CC(N)=O)CCO1 ZINC001421805064 890534750 /nfs/dbraw/zinc/53/47/50/890534750.db2.gz XXFVDTQZLOKQBE-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN COC[C@@H](C)C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001421877834 890537885 /nfs/dbraw/zinc/53/78/85/890537885.db2.gz GFQNABKGWVDSQM-RKDXNWHRSA-N 0 3 288.348 -1.100 20 0 CAADHN CC[C@@H](NC[C@H](C)N(C)C(=O)Cn1cnnn1)C(N)=O ZINC001421871623 890540071 /nfs/dbraw/zinc/54/00/71/890540071.db2.gz LSLUYJIRIAYNCZ-DTWKUNHWSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001421923706 890542925 /nfs/dbraw/zinc/54/29/25/890542925.db2.gz LYLCOYQZQIOLRU-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001421953004 890543937 /nfs/dbraw/zinc/54/39/37/890543937.db2.gz FGMTURZNXAGLRD-RQJHMYQMSA-N 0 3 285.304 -2.494 20 0 CAADHN CC(C)(O)CC(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001422004287 890546419 /nfs/dbraw/zinc/54/64/19/890546419.db2.gz TWPCSBTUCILBLY-UHFFFAOYSA-N 0 3 287.360 -1.112 20 0 CAADHN CN(C)S(=O)(=O)CCN1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001422050931 890547482 /nfs/dbraw/zinc/54/74/82/890547482.db2.gz PFMDITYHRFERFI-OCAPTIKFSA-N 0 3 292.361 -2.604 20 0 CAADHN NS(=O)(=O)NC1CCN(C[C@]2(O)CCCOC2)CC1 ZINC001422141883 890550593 /nfs/dbraw/zinc/55/05/93/890550593.db2.gz CSWHMYRWASGNSR-LLVKDONJSA-N 0 3 293.389 -1.215 20 0 CAADHN COC[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001422265479 890563443 /nfs/dbraw/zinc/56/34/43/890563443.db2.gz MPDQCPLTQFXPOM-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001422270707 890563469 /nfs/dbraw/zinc/56/34/69/890563469.db2.gz FYRAQHXJYJQULK-QWRGUYRKSA-N 0 3 287.360 -1.243 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cscn1 ZINC001422283971 890566847 /nfs/dbraw/zinc/56/68/47/890566847.db2.gz IRHYREQYUBVXLV-SFYZADRCSA-N 0 3 286.357 -1.042 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)[C@H](C)NCC(=O)N(C)C ZINC001422294810 890569892 /nfs/dbraw/zinc/56/98/92/890569892.db2.gz GQZWSZGMXIFDTF-IUCAKERBSA-N 0 3 288.348 -1.087 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccn(C)c1)C(N)=O ZINC001422277328 890565255 /nfs/dbraw/zinc/56/52/55/890565255.db2.gz HPNMJFOMJZKCIZ-GHMZBOCLSA-N 0 3 282.344 -1.031 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C(F)F)N1CCOCC1 ZINC001422284736 890565705 /nfs/dbraw/zinc/56/57/05/890565705.db2.gz ZRYLWGMXFWSFJT-MRVPVSSYSA-N 0 3 295.286 -1.823 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(C)nc1 ZINC001422277010 890566114 /nfs/dbraw/zinc/56/61/14/890566114.db2.gz JSXPTNHLLPNMAX-NSHDSACASA-N 0 3 280.328 -1.184 20 0 CAADHN CNC(=O)CN1CCCN(CCC(=O)NC(N)=O)CC1 ZINC001422283278 890566779 /nfs/dbraw/zinc/56/67/79/890566779.db2.gz PYZYUSIGESSWIM-UHFFFAOYSA-N 0 3 285.348 -1.675 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cn[nH]c1)C(=O)N(C)C ZINC001422285981 890566799 /nfs/dbraw/zinc/56/67/99/890566799.db2.gz HAMFHTVPXGACNS-SCZZXKLOSA-N 0 3 283.332 -1.433 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001422354798 890580492 /nfs/dbraw/zinc/58/04/92/890580492.db2.gz LAIJYZVNFAXIRS-SVDPJWKOSA-N 0 3 285.344 -1.966 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1[nH]cnc1C)C(N)=O ZINC001422404997 890590707 /nfs/dbraw/zinc/59/07/07/890590707.db2.gz MDRAKAHWJQRHSW-BDAKNGLRSA-N 0 3 283.332 -1.338 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1COCCO1 ZINC001422463005 890594903 /nfs/dbraw/zinc/59/49/03/890594903.db2.gz LGEKOHLICJSEPW-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N(C)C[C@H](O)COC ZINC001422521634 890596446 /nfs/dbraw/zinc/59/64/46/890596446.db2.gz SWZHYAFQNBGNCU-ZJUUUORDSA-N 0 3 290.364 -1.641 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001422534973 890594195 /nfs/dbraw/zinc/59/41/95/890594195.db2.gz ISPUECZVRFZHON-BBBLOLIVSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001422551964 890598983 /nfs/dbraw/zinc/59/89/83/890598983.db2.gz QDWXUEMMHLABGK-APPZFPTMSA-N 0 3 283.332 -1.959 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cn(C)nc1OC ZINC001422541428 890599004 /nfs/dbraw/zinc/59/90/04/890599004.db2.gz VCELZUWDJAKXQP-MRVPVSSYSA-N 0 3 283.332 -1.117 20 0 CAADHN COC[C@H](C)C(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001422473089 890597675 /nfs/dbraw/zinc/59/76/75/890597675.db2.gz XMUAJHUAFXNCBJ-DTWKUNHWSA-N 0 3 285.348 -1.015 20 0 CAADHN COC[C@@H](OC)C(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001422547131 890598605 /nfs/dbraw/zinc/59/86/05/890598605.db2.gz OJVULHOIGLLGGV-NXEZZACHSA-N 0 3 275.349 -1.170 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NC[C@@H](C)N(C)CCO ZINC001422589469 890600798 /nfs/dbraw/zinc/60/07/98/890600798.db2.gz XKJNZAWVEGFGCU-SNVBAGLBSA-N 0 3 295.405 -1.303 20 0 CAADHN CCO[C@H](C)C(=O)N[C@@H](C)CNCC(=O)NC(=O)NC ZINC001422626932 890602725 /nfs/dbraw/zinc/60/27/25/890602725.db2.gz CKJAFKHYJBZJFV-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)Cn1cnnn1 ZINC001422625599 890603996 /nfs/dbraw/zinc/60/39/96/890603996.db2.gz UJZOJJNXUFRTIT-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CNC(=O)OC)C(N)=O ZINC001422629129 890607744 /nfs/dbraw/zinc/60/77/44/890607744.db2.gz HLMXOZJCJFAFFO-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN CCCC[C@@H](CNCC(N)=O)NC(=O)c1nnn(C)n1 ZINC001422691234 890610086 /nfs/dbraw/zinc/61/00/86/890610086.db2.gz UDERNDKYZJUJLN-QMMMGPOBSA-N 0 3 283.336 -1.426 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001422702013 890610576 /nfs/dbraw/zinc/61/05/76/890610576.db2.gz NVKXMCPEGPVGIU-RVBZMBCESA-N 0 3 282.344 -1.362 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CCNC(=O)NC)C1CC1 ZINC001423002280 890622978 /nfs/dbraw/zinc/62/29/78/890622978.db2.gz MYXMGQFQQBIXQJ-SNVBAGLBSA-N 0 3 299.375 -1.464 20 0 CAADHN Cn1cc(CC(=O)N[C@H](CNCC(N)=O)C2CC2)cn1 ZINC001422987778 890623736 /nfs/dbraw/zinc/62/37/36/890623736.db2.gz ODUSJEJYTGIOOL-LLVKDONJSA-N 0 3 279.344 -1.068 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001423078838 890627539 /nfs/dbraw/zinc/62/75/39/890627539.db2.gz JNSKCXHPXJYKIY-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CS(=O)(=O)CCN[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001423293877 890661328 /nfs/dbraw/zinc/66/13/28/890661328.db2.gz UNUCVNQJFLCINZ-SSDOTTSWSA-N 0 3 291.333 -2.470 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@H](CO)NCC(N)=O)C1 ZINC001423299835 890663926 /nfs/dbraw/zinc/66/39/26/890663926.db2.gz JUHBNEVSNKKCRX-ZJUUUORDSA-N 0 3 288.348 -2.741 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001423431133 890674543 /nfs/dbraw/zinc/67/45/43/890674543.db2.gz USSCTKFVRPVNNC-WCBMZHEXSA-N 0 3 283.332 -1.433 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@@H](CO)NCC(N)=O)C1 ZINC001423299830 890665523 /nfs/dbraw/zinc/66/55/23/890665523.db2.gz JUHBNEVSNKKCRX-UWVGGRQHSA-N 0 3 288.348 -2.741 20 0 CAADHN COCCC(=O)N(C)C[C@@H](O)CNCC(=O)N1CCC1 ZINC001423402813 890670167 /nfs/dbraw/zinc/67/01/67/890670167.db2.gz GTOPLSKZDKACNK-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCn1cccn1 ZINC001423420436 890671895 /nfs/dbraw/zinc/67/18/95/890671895.db2.gz UQNPQENZNQPSSG-JTQLQIEISA-N 0 3 283.332 -1.833 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@@H]1CCOC1 ZINC001423434066 890673129 /nfs/dbraw/zinc/67/31/29/890673129.db2.gz OFGMVRSNLWPCMP-VHSXEESVSA-N 0 3 273.333 -1.693 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cc1cncn1C ZINC001423474069 890676801 /nfs/dbraw/zinc/67/68/01/890676801.db2.gz AGLKOHKSZKHYMJ-SNVBAGLBSA-N 0 3 283.332 -2.143 20 0 CAADHN Cc1nocc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001423454946 890676822 /nfs/dbraw/zinc/67/68/22/890676822.db2.gz NTUQATQJVHQEEL-DTWKUNHWSA-N 0 3 284.316 -1.121 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001423442240 890674706 /nfs/dbraw/zinc/67/47/06/890674706.db2.gz INKTYWPGABFQJH-MRVPVSSYSA-N 0 3 285.308 -3.172 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](O)CN(C)CCOC ZINC001423508782 890681716 /nfs/dbraw/zinc/68/17/16/890681716.db2.gz WOXMEULIOPSBOR-SNVBAGLBSA-N 0 3 290.364 -1.687 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001423509754 890680530 /nfs/dbraw/zinc/68/05/30/890680530.db2.gz LIJJCEKEXVCHOE-GFCCVEGCSA-N 0 3 289.376 -1.138 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@]1(C)CCN(CCO)C1 ZINC001423583114 890683803 /nfs/dbraw/zinc/68/38/03/890683803.db2.gz VSYWPANVRSPXLS-MWLCHTKSSA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001423583111 890684793 /nfs/dbraw/zinc/68/47/93/890684793.db2.gz VSYWPANVRSPXLS-KOLCDFICSA-N 0 3 293.389 -1.503 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001423534460 890684424 /nfs/dbraw/zinc/68/44/24/890684424.db2.gz ZPRMXOYBXRJIPR-SNVBAGLBSA-N 0 3 270.333 -1.223 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001423741941 890691936 /nfs/dbraw/zinc/69/19/36/890691936.db2.gz HRCYMESNWAZVSL-LBPRGKRZSA-N 0 3 273.333 -1.990 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)CC(C)(C)O)CCO1)C(N)=O ZINC001424215153 890721485 /nfs/dbraw/zinc/72/14/85/890721485.db2.gz DAARUHKFGAXORQ-NXEZZACHSA-N 0 3 287.360 -1.162 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1cncn1 ZINC001424855121 890745159 /nfs/dbraw/zinc/74/51/59/890745159.db2.gz NJCJOCQCAONAPQ-ZJUUUORDSA-N 0 3 282.348 -1.103 20 0 CAADHN C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)N(C)CCO ZINC001425070757 890750614 /nfs/dbraw/zinc/75/06/14/890750614.db2.gz ORSMSCQYMFGHLN-QMMMGPOBSA-N 0 3 284.320 -2.194 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)C1CN(C[C@@H](C)O)C1 ZINC001425232168 890757623 /nfs/dbraw/zinc/75/76/23/890757623.db2.gz QSBCUGBJQKQKFL-BDAKNGLRSA-N 0 3 272.349 -1.267 20 0 CAADHN CN(C(=O)Cn1ncnn1)[C@@H](CNCC(N)=O)C1CC1 ZINC001425485175 890782463 /nfs/dbraw/zinc/78/24/63/890782463.db2.gz GRZOSFNHFPIXQW-VIFPVBQESA-N 0 3 281.320 -2.015 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001425521329 890785880 /nfs/dbraw/zinc/78/58/80/890785880.db2.gz WEFFKJNRMLXOMM-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001425722929 890802854 /nfs/dbraw/zinc/80/28/54/890802854.db2.gz NSEDKBQQPAORLD-ZJUUUORDSA-N 0 3 271.321 -1.620 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)NC[C@H](CO)NCC(N)=O ZINC001425835826 890829778 /nfs/dbraw/zinc/82/97/78/890829778.db2.gz ARVJMIFYROPFAC-GHMZBOCLSA-N 0 3 286.376 -1.587 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCNC(=O)NC)[C@@H]1C ZINC001425866079 890833598 /nfs/dbraw/zinc/83/35/98/890833598.db2.gz UFSGDYLGLGJCHL-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cnccn1)C(N)=O ZINC001425965302 890836686 /nfs/dbraw/zinc/83/66/86/890836686.db2.gz DAPWNLGBDYFVTJ-DTWKUNHWSA-N 0 3 281.316 -1.627 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1COCCO1 ZINC001426057634 890849887 /nfs/dbraw/zinc/84/98/87/890849887.db2.gz HODXRHNTJJMSII-QWRGUYRKSA-N 0 3 276.333 -1.855 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001426037378 890851043 /nfs/dbraw/zinc/85/10/43/890851043.db2.gz QEDOYXQBOMPVCI-BDAKNGLRSA-N 0 3 286.332 -2.451 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001426078850 890852653 /nfs/dbraw/zinc/85/26/53/890852653.db2.gz QERJDAJNKHNJPY-SNVBAGLBSA-N 0 3 285.348 -1.174 20 0 CAADHN CCC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001426074372 890854735 /nfs/dbraw/zinc/85/47/35/890854735.db2.gz UNPPIPKVLFANSM-JTQLQIEISA-N 0 3 275.349 -1.744 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001426080380 890855775 /nfs/dbraw/zinc/85/57/75/890855775.db2.gz LBNDRDDERFYGCK-NNYUYHANSA-N 0 3 272.345 -1.378 20 0 CAADHN CC[C@H](C(=O)NCC1(NC(=O)CNC(N)=O)CC1)N(C)C ZINC001432239714 890999319 /nfs/dbraw/zinc/99/93/19/890999319.db2.gz VUJKDNSKYQQJQA-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN OCC1(O)CCN(C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001434478955 891121827 /nfs/dbraw/zinc/12/18/27/891121827.db2.gz ISSNMBSLLZUSPD-LLVKDONJSA-N 0 3 275.345 -1.292 20 0 CAADHN O=S1(=O)CCC[C@@H](NC[C@H](O)Cn2ccnn2)C1 ZINC001434529648 891122829 /nfs/dbraw/zinc/12/28/29/891122829.db2.gz TXEVGDCELPRRPI-ZJUUUORDSA-N 0 3 274.346 -1.194 20 0 CAADHN C[C@@H](O)[C@H](O)CN1CCCN(CC(=O)N(C)C)CC1 ZINC001434489663 891124783 /nfs/dbraw/zinc/12/47/83/891124783.db2.gz XYBRYBICJVGJPO-VXGBXAGGSA-N 0 3 273.377 -1.176 20 0 CAADHN O=S1(=O)CCC[C@@H](NC[C@@H](O)Cn2ccnn2)C1 ZINC001434529641 891124796 /nfs/dbraw/zinc/12/47/96/891124796.db2.gz TXEVGDCELPRRPI-NXEZZACHSA-N 0 3 274.346 -1.194 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](CNC(=O)CS(C)(=O)=O)C1 ZINC001436340430 891151125 /nfs/dbraw/zinc/15/11/25/891151125.db2.gz CEIDKVCTZBPCSH-DTORHVGOSA-N 0 3 291.373 -1.739 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001436878055 891156778 /nfs/dbraw/zinc/15/67/78/891156778.db2.gz VSZSTPOOVDMCIX-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CC[C@H](CNC(=O)CN(C)S(C)(=O)=O)NCC(N)=O ZINC001438304501 891214992 /nfs/dbraw/zinc/21/49/92/891214992.db2.gz ULPXRQFKRDHLGM-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)SC ZINC001438979294 891247990 /nfs/dbraw/zinc/24/79/90/891247990.db2.gz WRJDDGSRDWUIQW-RKDXNWHRSA-N 0 3 277.390 -1.059 20 0 CAADHN CS(=O)(=O)CCC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001436794514 891156702 /nfs/dbraw/zinc/15/67/02/891156702.db2.gz FBMVBFFWCRZQGM-SECBINFHSA-N 0 3 291.373 -1.609 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1cn(C)nn1)C1CC1 ZINC001436779458 891156734 /nfs/dbraw/zinc/15/67/34/891156734.db2.gz KAKLYSLXBMTYAK-VIFPVBQESA-N 0 3 280.332 -1.341 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)CN(C)S(C)(=O)=O ZINC001507483645 894052334 /nfs/dbraw/zinc/05/23/34/894052334.db2.gz ODKNUVUZPNRAEN-SECBINFHSA-N 0 3 299.368 -1.744 20 0 CAADHN CN1CCN(S(=O)(=O)CCS(C)(=O)=O)[C@H](CN)C1 ZINC000122684862 883985191 /nfs/dbraw/zinc/98/51/91/883985191.db2.gz MBAKBNQPWOINCN-SECBINFHSA-N 0 3 299.418 -2.065 20 0 CAADHN C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)N1CCNCC1 ZINC000689195137 883990077 /nfs/dbraw/zinc/99/00/77/883990077.db2.gz JCFHAXQNWZSSJX-SECBINFHSA-N 0 3 299.418 -1.499 20 0 CAADHN C[C@@H](NS(=O)(=O)C1CNC1)[C@H](C)N1CCOCC1 ZINC000923606530 883996099 /nfs/dbraw/zinc/99/60/99/883996099.db2.gz PDZNXAYNZAOSOC-ZJUUUORDSA-N 0 3 277.390 -1.013 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21)N(C)C ZINC001114463347 884044183 /nfs/dbraw/zinc/04/41/83/884044183.db2.gz HPPWYWLJZRPQLB-KLBPJQLPSA-N 0 3 268.361 -1.142 20 0 CAADHN O=C(CNCCNC(=O)c1cnns1)N1CCOCC1 ZINC001124164493 884053751 /nfs/dbraw/zinc/05/37/51/884053751.db2.gz ZQPNZNOGDRJKBU-UHFFFAOYSA-N 0 3 299.356 -1.284 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CCS(=O)(=O)NC)C1 ZINC001192930716 884071531 /nfs/dbraw/zinc/07/15/31/884071531.db2.gz ADPDZFHYWHTDHP-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN OC[C@@H]1CCN(C[C@H](O)CN2CCOCC2)C[C@@H]1O ZINC001251009817 884080256 /nfs/dbraw/zinc/08/02/56/884080256.db2.gz QHGTXCGBILFYJH-XQQFMLRXSA-N 0 3 274.361 -1.645 20 0 CAADHN Cc1ncsc1CNC[C@H](O)CNC(=O)C(N)=O ZINC001268324175 884093024 /nfs/dbraw/zinc/09/30/24/884093024.db2.gz SHCKDGCZTKDSMK-ZETCQYMHSA-N 0 3 272.330 -1.496 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CNCC(N)=O)cnn1C ZINC001268301517 884093058 /nfs/dbraw/zinc/09/30/58/884093058.db2.gz SCJPWHRZTFKEER-QMMMGPOBSA-N 0 3 269.305 -2.106 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC12CCC2 ZINC001268323380 884093620 /nfs/dbraw/zinc/09/36/20/884093620.db2.gz IGCQSOQAUGXACH-DTWKUNHWSA-N 0 3 255.318 -1.271 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccn(C)c1 ZINC001278742777 884108594 /nfs/dbraw/zinc/10/85/94/884108594.db2.gz GKWJERVQPGLMDF-SNVBAGLBSA-N 0 3 268.317 -1.467 20 0 CAADHN CN1CCN(CCCOC(=O)NC(N)=O)C[C@@H]1CO ZINC001307990923 884129494 /nfs/dbraw/zinc/12/94/94/884129494.db2.gz ZYJAPIGKQMENTB-SECBINFHSA-N 0 3 274.321 -1.210 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CC[C@@H](CS(N)(=O)=O)C1 ZINC001308128251 884130960 /nfs/dbraw/zinc/13/09/60/884130960.db2.gz NJYJHDLFIUDXLL-YIZRAAEISA-N 0 3 252.336 -1.662 20 0 CAADHN CN(C)CCCS(=O)(=O)NCCOCC(N)=O ZINC001309304260 884133161 /nfs/dbraw/zinc/13/31/61/884133161.db2.gz LBWJPIVDUKGPRJ-UHFFFAOYSA-N 0 3 267.351 -1.641 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@H](C)NCCNS(C)(=O)=O ZINC001317236298 884178126 /nfs/dbraw/zinc/17/81/26/884178126.db2.gz RGMUHLMHZSCVMI-VHSXEESVSA-N 0 3 295.405 -1.353 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)Cn1cnnn1)C(N)=O ZINC001317224524 884178137 /nfs/dbraw/zinc/17/81/37/884178137.db2.gz JFQDRWSBTNVIRJ-YUMQZZPRSA-N 0 3 269.309 -1.969 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H](C)n1cncn1 ZINC001317234293 884179191 /nfs/dbraw/zinc/17/91/91/884179191.db2.gz MGUUHRCIHGYGIO-DTWKUNHWSA-N 0 3 268.321 -1.321 20 0 CAADHN CN(CCCNC(=O)C(N)=O)[C@H]1CCCN(C)C1=O ZINC001316845955 884160665 /nfs/dbraw/zinc/16/06/65/884160665.db2.gz TWGQTPHBBZEGJB-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN NC(=O)C(=O)NCCCN1CCN(CCCO)CC1 ZINC001316958942 884164815 /nfs/dbraw/zinc/16/48/15/884164815.db2.gz ACXWKALQCMMWSG-UHFFFAOYSA-N 0 3 272.349 -2.022 20 0 CAADHN C[C@H](CNC(=O)c1cnco1)NCC(=O)NC(N)=O ZINC001317251551 884183205 /nfs/dbraw/zinc/18/32/05/884183205.db2.gz ANLRPPGNGWEXGZ-ZCFIWIBFSA-N 0 3 269.261 -1.423 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)Cn1ncnn1 ZINC001317445875 884196617 /nfs/dbraw/zinc/19/66/17/884196617.db2.gz MIYKZVNFEGAYIE-VIFPVBQESA-N 0 3 256.310 -1.244 20 0 CAADHN CCN(C)C(=O)CNCCN(C)C(=O)CNC(=O)OC ZINC001317570101 884217178 /nfs/dbraw/zinc/21/71/78/884217178.db2.gz OEHTVQURTSNDNQ-UHFFFAOYSA-N 0 3 288.348 -1.131 20 0 CAADHN CN(CCNC(=O)c1nnn(C)n1)CCOCCO ZINC001317456824 884203899 /nfs/dbraw/zinc/20/38/99/884203899.db2.gz ONIJDZLBVAAHAX-UHFFFAOYSA-N 0 3 272.309 -2.119 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001317590825 884223141 /nfs/dbraw/zinc/22/31/41/884223141.db2.gz JJXMSXGALXZYCO-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN CN(CCNCc1nnnn1C)C(=O)[C@@H]1CCCN1C ZINC001317572453 884223229 /nfs/dbraw/zinc/22/32/29/884223229.db2.gz GLPODYISZDMWKA-JTQLQIEISA-N 0 3 281.364 -1.148 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001317618359 884227426 /nfs/dbraw/zinc/22/74/26/884227426.db2.gz JJQYCJIAVZMKCL-NXEZZACHSA-N 0 3 284.360 -1.318 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001317618360 884228589 /nfs/dbraw/zinc/22/85/89/884228589.db2.gz JJQYCJIAVZMKCL-UWVGGRQHSA-N 0 3 284.360 -1.318 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cc1cncn1C ZINC001317654930 884231677 /nfs/dbraw/zinc/23/16/77/884231677.db2.gz MTCASHMFMZXSSV-UHFFFAOYSA-N 0 3 267.333 -1.243 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001317650791 884232701 /nfs/dbraw/zinc/23/27/01/884232701.db2.gz MTPWNNRTKLEPFH-VIFPVBQESA-N 0 3 270.333 -1.599 20 0 CAADHN CC(C)N(C)C(=O)CNCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001317632506 884234184 /nfs/dbraw/zinc/23/41/84/884234184.db2.gz FDTNVZXKPHOBPN-JTQLQIEISA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)C1(C(N)=O)CC1 ZINC001317629421 884229464 /nfs/dbraw/zinc/22/94/64/884229464.db2.gz WKFLUCNSVIOUGP-UHFFFAOYSA-N 0 3 299.331 -2.245 20 0 CAADHN CCN1CCO[C@@H](C(=O)N(C)CCNCC(=O)NC)C1 ZINC001317662771 884236695 /nfs/dbraw/zinc/23/66/95/884236695.db2.gz ARQJXSQHJWDNDA-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCNC(N)=O)C(N)=O ZINC001317663904 884237189 /nfs/dbraw/zinc/23/71/89/884237189.db2.gz XQKIMAJPRCCGAG-SSDOTTSWSA-N 0 3 259.310 -2.033 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCC1CN(CCCO)C1 ZINC001318100969 884251868 /nfs/dbraw/zinc/25/18/68/884251868.db2.gz FPHGOZGEOIXBNW-VIFPVBQESA-N 0 3 257.334 -1.059 20 0 CAADHN CC[C@H](CNC(=O)c1cnn(C)n1)NCC(=O)NC ZINC001318583448 884287492 /nfs/dbraw/zinc/28/74/92/884287492.db2.gz VLYQTQZCVKLYSJ-MRVPVSSYSA-N 0 3 268.321 -1.341 20 0 CAADHN CC[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H](C)C(N)=O ZINC001318593833 884289089 /nfs/dbraw/zinc/28/90/89/884289089.db2.gz CHRKZQAEELTLRU-JGVFFNPUSA-N 0 3 268.321 -1.295 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)CN1CCN(C)CC1 ZINC001319279111 884317324 /nfs/dbraw/zinc/31/73/24/884317324.db2.gz ULNWZYNPDPKQBV-JTQLQIEISA-N 0 3 256.350 -1.139 20 0 CAADHN C[C@@H](NC[C@@H](C)N(C)C(=O)c1cnnn1C)C(N)=O ZINC001319453551 884331920 /nfs/dbraw/zinc/33/19/20/884331920.db2.gz PMZQJFMHYVQBMG-HTQZYQBOSA-N 0 3 268.321 -1.261 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)C1(C(N)=O)CC1 ZINC001319523435 884333455 /nfs/dbraw/zinc/33/34/55/884333455.db2.gz QYHMVIIIZSQUSA-BDAKNGLRSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CCNC1=O ZINC001319510903 884335447 /nfs/dbraw/zinc/33/54/47/884335447.db2.gz NEUANKFWDLKZNE-UWVGGRQHSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CCNC1=O ZINC001319510905 884336580 /nfs/dbraw/zinc/33/65/80/884336580.db2.gz NEUANKFWDLKZNE-VHSXEESVSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)c1cnnn1C ZINC001319453555 884329988 /nfs/dbraw/zinc/32/99/88/884329988.db2.gz PMZQJFMHYVQBMG-SFYZADRCSA-N 0 3 268.321 -1.261 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)Cc1ncc[nH]1 ZINC001319551216 884339752 /nfs/dbraw/zinc/33/97/52/884339752.db2.gz MUKQBOUQAWBWDR-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)Nn2cnnc2)CC1=O ZINC001319877284 884356735 /nfs/dbraw/zinc/35/67/35/884356735.db2.gz MJUKZAYLACMJOO-SECBINFHSA-N 0 3 266.305 -1.242 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H]1CCNC1=O)NCC(N)=O ZINC001319936950 884362016 /nfs/dbraw/zinc/36/20/16/884362016.db2.gz SHYBLBRJSLQRBY-BDAKNGLRSA-N 0 3 270.333 -1.662 20 0 CAADHN C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CNCC(=O)N(C)C ZINC001319862279 884356933 /nfs/dbraw/zinc/35/69/33/884356933.db2.gz UWVYPJAFDBMNPZ-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccco1)C(N)=O ZINC001320187264 884379732 /nfs/dbraw/zinc/37/97/32/884379732.db2.gz KSFWWCDGNXULLK-HTQZYQBOSA-N 0 3 255.274 -1.166 20 0 CAADHN C[C@H](C(=O)NC[C@H](O)CNCC(N)=O)n1cccn1 ZINC001320198553 884381768 /nfs/dbraw/zinc/38/17/68/884381768.db2.gz DTRCSSVLLNFDAC-RKDXNWHRSA-N 0 3 269.305 -2.004 20 0 CAADHN C[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)n1cccn1 ZINC001320198550 884382185 /nfs/dbraw/zinc/38/21/85/884382185.db2.gz DTRCSSVLLNFDAC-BDAKNGLRSA-N 0 3 269.305 -2.004 20 0 CAADHN Cc1[nH]nc(C(=O)NC[C@@H](O)CNCC(N)=O)c1C ZINC001320204011 884384981 /nfs/dbraw/zinc/38/49/81/884384981.db2.gz VTKHERWBUKFSGI-QMMMGPOBSA-N 0 3 269.305 -1.808 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001320201148 884385123 /nfs/dbraw/zinc/38/51/23/884385123.db2.gz PAAZMGOPMJSDFB-BDAKNGLRSA-N 0 3 259.306 -1.893 20 0 CAADHN CC1(C)CC(C(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001320216044 884391287 /nfs/dbraw/zinc/39/12/87/884391287.db2.gz VZUDMJYNPINXAN-VIFPVBQESA-N 0 3 257.334 -1.025 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](O)CNCCF)C1 ZINC001320212894 884391961 /nfs/dbraw/zinc/39/19/61/884391961.db2.gz CNIKPEXWHYFYOT-JTQLQIEISA-N 0 3 261.297 -1.499 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)[nH]n1 ZINC001320200013 884385208 /nfs/dbraw/zinc/38/52/08/884385208.db2.gz DQTVIBFIEVPFPP-HTQZYQBOSA-N 0 3 269.305 -1.728 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccn[nH]1)C(N)=O ZINC001320203156 884385543 /nfs/dbraw/zinc/38/55/43/884385543.db2.gz UONFFVJNEDCDSL-SFYZADRCSA-N 0 3 269.305 -1.646 20 0 CAADHN Cc1cc(CNC[C@@H](O)CNC(=O)CC(N)=O)sn1 ZINC001320202598 884385705 /nfs/dbraw/zinc/38/57/05/884385705.db2.gz PPMYPWMRWTVXCK-MRVPVSSYSA-N 0 3 286.357 -1.106 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001320202139 884387304 /nfs/dbraw/zinc/38/73/04/884387304.db2.gz NAPHYSDAIUMMEU-QMMMGPOBSA-N 0 3 269.305 -2.106 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccc[nH]1 ZINC001320200291 884387401 /nfs/dbraw/zinc/38/74/01/884387401.db2.gz NDKXLHLSRILYAV-IUCAKERBSA-N 0 3 268.317 -1.171 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCCn2cncn2)C1 ZINC001320223374 884393670 /nfs/dbraw/zinc/39/36/70/884393670.db2.gz ZNRDWQKOYVSVIX-NSHDSACASA-N 0 3 268.321 -1.356 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](O)CNC/C=C\Cl ZINC001320227227 884396269 /nfs/dbraw/zinc/39/62/69/884396269.db2.gz MXRGYOSOBXTBPE-KZUAUGPASA-N 0 3 278.740 -1.265 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc[nH]c1C ZINC001320218235 884396342 /nfs/dbraw/zinc/39/63/42/884396342.db2.gz UBXBSYBPHOAGKC-SECBINFHSA-N 0 3 268.317 -1.251 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](O)CNC/C=C/Cl ZINC001320227228 884396481 /nfs/dbraw/zinc/39/64/81/884396481.db2.gz MXRGYOSOBXTBPE-SGJFDWMWSA-N 0 3 278.740 -1.265 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001320217925 884397205 /nfs/dbraw/zinc/39/72/05/884397205.db2.gz QAONKVJBOOVLDG-QMMMGPOBSA-N 0 3 269.305 -2.106 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CNCCF)cc1=O ZINC001320235949 884399610 /nfs/dbraw/zinc/39/96/10/884399610.db2.gz SMXNRJFWGOMOOC-MRVPVSSYSA-N 0 3 272.280 -1.570 20 0 CAADHN O=C(C[C@@H]1CCCS1(=O)=O)NC[C@H](O)CNCCF ZINC001320256508 884402660 /nfs/dbraw/zinc/40/26/60/884402660.db2.gz DLINESMGPGFJEK-ZJUUUORDSA-N 0 3 296.364 -1.010 20 0 CAADHN CC(C)N1CC[C@H](NC[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001320270055 884404451 /nfs/dbraw/zinc/40/44/51/884404451.db2.gz HCPVBLHBXKPLBG-IUCAKERBSA-N 0 3 286.332 -2.452 20 0 CAADHN CCN(C(=O)CNC[C@H](O)CNC(=O)C(N)=O)C1CC1 ZINC001320270030 884405920 /nfs/dbraw/zinc/40/59/20/884405920.db2.gz GRWSIPTYVYMODE-VIFPVBQESA-N 0 3 286.332 -2.451 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001320270091 884406346 /nfs/dbraw/zinc/40/63/46/884406346.db2.gz ICTVGOHEJMYVCF-SSDOTTSWSA-N 0 3 256.262 -1.851 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC12CC2 ZINC001320280626 884408560 /nfs/dbraw/zinc/40/85/60/884408560.db2.gz JSBGEFJZRAIHLD-DTWKUNHWSA-N 0 3 255.318 -1.401 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1CC2(CC2)C1 ZINC001320275554 884408743 /nfs/dbraw/zinc/40/87/43/884408743.db2.gz UXQHFLYTJCRREQ-VIFPVBQESA-N 0 3 255.318 -1.271 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001320280629 884408761 /nfs/dbraw/zinc/40/87/61/884408761.db2.gz JSBGEFJZRAIHLD-IUCAKERBSA-N 0 3 255.318 -1.401 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001320281455 884409055 /nfs/dbraw/zinc/40/90/55/884409055.db2.gz AOKWPOBGEJCOGO-ZETCQYMHSA-N 0 3 255.278 -2.116 20 0 CAADHN CCN(CCO)CCNC(=O)C(=O)Nc1cnns1 ZINC001320759404 884444950 /nfs/dbraw/zinc/44/49/50/884444950.db2.gz CLUJKUBDKJZCRO-UHFFFAOYSA-N 0 3 287.345 -1.093 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)[C@@H]1CNC(=O)N1 ZINC001320832921 884451890 /nfs/dbraw/zinc/45/18/90/884451890.db2.gz WQAZSQQJSUXEHE-VIFPVBQESA-N 0 3 285.348 -1.806 20 0 CAADHN CC(=O)NCC(=O)NC/C=C/CN[C@H](C)C(N)=O ZINC001320957492 884459298 /nfs/dbraw/zinc/45/92/98/884459298.db2.gz SBLXONYBBMODLQ-MPJRPATESA-N 0 3 256.306 -1.742 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001320513725 884426374 /nfs/dbraw/zinc/42/63/74/884426374.db2.gz LXXXEQSZUPRYBP-LBPRGKRZSA-N 0 3 266.301 -1.090 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H]1CCN(C2CC2)C1 ZINC001320578504 884432314 /nfs/dbraw/zinc/43/23/14/884432314.db2.gz WKIKNKXMRQJSPK-CBAPKCEASA-N 0 3 266.301 -1.063 20 0 CAADHN CN1CCC[C@H](NC/C=C\CNC(=O)CC(N)=O)C1=O ZINC001320999346 884462097 /nfs/dbraw/zinc/46/20/97/884462097.db2.gz JISKZEODQFACKX-ZMWSMAPVSA-N 0 3 282.344 -1.255 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CN1C(=O)CNC1=O ZINC001321736366 884513364 /nfs/dbraw/zinc/51/33/64/884513364.db2.gz WNFHZHGGJQSSEP-RQJHMYQMSA-N 0 3 285.304 -2.494 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CN1C(=O)CNC1=O ZINC001321736365 884513642 /nfs/dbraw/zinc/51/36/42/884513642.db2.gz WNFHZHGGJQSSEP-RNFRBKRXSA-N 0 3 285.304 -2.494 20 0 CAADHN C[C@@H](CNCCNS(C)(=O)=O)NC(=O)c1ccon1 ZINC001321800606 884520639 /nfs/dbraw/zinc/52/06/39/884520639.db2.gz RDRXDZYKUILLNV-QMMMGPOBSA-N 0 3 290.345 -1.068 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001321967021 884529968 /nfs/dbraw/zinc/52/99/68/884529968.db2.gz VVXRUJIOUNDPRM-NKWVEPMBSA-N 0 3 257.294 -2.492 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCn1ccnc1 ZINC001321938640 884530568 /nfs/dbraw/zinc/53/05/68/884530568.db2.gz HBQWSMOFRGLOMI-VIFPVBQESA-N 0 3 253.306 -1.147 20 0 CAADHN C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)Cc1nnc[n-]1 ZINC001322044344 884538540 /nfs/dbraw/zinc/53/85/40/884538540.db2.gz VGSWIFBVYJPURT-QMMMGPOBSA-N 0 3 268.321 -1.470 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001321680227 884508739 /nfs/dbraw/zinc/50/87/39/884508739.db2.gz AMDZAWYACLELBQ-SFYZADRCSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001322194715 884540943 /nfs/dbraw/zinc/54/09/43/884540943.db2.gz VPZCXEOYQJMFSP-VHSXEESVSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@H](C)NC(=O)c1ncn[nH]1 ZINC001322269387 884547459 /nfs/dbraw/zinc/54/74/59/884547459.db2.gz NKKLQTFAIIOGDY-NKWVEPMBSA-N 0 3 254.294 -1.271 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@H](C)NC(=O)c1nc[nH]n1 ZINC001322269387 884547467 /nfs/dbraw/zinc/54/74/67/884547467.db2.gz NKKLQTFAIIOGDY-NKWVEPMBSA-N 0 3 254.294 -1.271 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCNS(C)(=O)=O ZINC001322597222 884568141 /nfs/dbraw/zinc/56/81/41/884568141.db2.gz SASQPHREIBGFCZ-UHFFFAOYSA-N 0 3 294.377 -2.328 20 0 CAADHN CC(C)COC[C@H](O)CN(C)C[C@H](C)NC(=O)C(N)=O ZINC001322239280 884547966 /nfs/dbraw/zinc/54/79/66/884547966.db2.gz ZAHBXFAFGJQPJX-WDEREUQCSA-N 0 3 289.376 -1.058 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1CCCN1C(=O)c1nc[n-]n1 ZINC001324252321 884658681 /nfs/dbraw/zinc/65/86/81/884658681.db2.gz ZUMCGGMYPZYLRI-SSDOTTSWSA-N 0 3 252.278 -1.516 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)CC(N)=O)C1 ZINC001325086569 884706372 /nfs/dbraw/zinc/70/63/72/884706372.db2.gz QJNRIZMXRZEYDR-LLVKDONJSA-N 0 3 259.306 -1.939 20 0 CAADHN CCOCCN1CC[C@@](O)(CNC(=O)CNC(C)=O)C1 ZINC001325056099 884707146 /nfs/dbraw/zinc/70/71/46/884707146.db2.gz XLONPEAHLYVHHU-CYBMUJFWSA-N 0 3 287.360 -1.288 20 0 CAADHN NC(=O)C(=O)NC[C@]1(O)CCN(CCOCC2CC2)C1 ZINC001325127494 884711892 /nfs/dbraw/zinc/71/18/92/884711892.db2.gz VNLBNPSIVFPYCP-CYBMUJFWSA-N 0 3 285.344 -1.549 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cccnn1 ZINC001325143098 884713215 /nfs/dbraw/zinc/71/32/15/884713215.db2.gz XIOYLTJKIQJQGV-LBPRGKRZSA-N 0 3 266.301 -1.365 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001325271637 884723994 /nfs/dbraw/zinc/72/39/94/884723994.db2.gz USLXVQRUESACAT-MNOVXSKESA-N 0 3 255.318 -1.210 20 0 CAADHN NC(=O)NC(=O)OCCCN1CC[C@@H](CO)[C@@H](O)C1 ZINC001325346695 884728904 /nfs/dbraw/zinc/72/89/04/884728904.db2.gz YLIJTNNLSZYERO-IUCAKERBSA-N 0 3 275.305 -1.144 20 0 CAADHN COCCOC[C@@H](O)CNC[C@@H]1CC(C(N)=O)=NO1 ZINC001325843514 884744959 /nfs/dbraw/zinc/74/49/59/884744959.db2.gz CEQZQGMXQZXLPB-IUCAKERBSA-N 0 3 275.305 -1.770 20 0 CAADHN COCCNCC(=O)NC[C@H](O)c1cnn(C)c1 ZINC001326051643 884763144 /nfs/dbraw/zinc/76/31/44/884763144.db2.gz DRMKPGIKVRRIBS-JTQLQIEISA-N 0 3 256.306 -1.194 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)[C@H](N)CC(F)F)CCO1 ZINC001326353669 884786760 /nfs/dbraw/zinc/78/67/60/884786760.db2.gz NHYFRUPSCYHSMX-RQJHMYQMSA-N 0 3 265.260 -1.058 20 0 CAADHN NS(=O)(=O)CCCNC(=O)CNC[C@H]1CCCO1 ZINC001326346714 884788879 /nfs/dbraw/zinc/78/88/79/884788879.db2.gz OBOUNBBVEYZFHC-SECBINFHSA-N 0 3 279.362 -1.450 20 0 CAADHN CC[C@H](N)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC001326346831 884789654 /nfs/dbraw/zinc/78/96/54/884789654.db2.gz QHLHQMGGDDTKTA-VIFPVBQESA-N 0 3 263.363 -1.430 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)C2CC2)CCO1 ZINC001326942182 884851304 /nfs/dbraw/zinc/85/13/04/884851304.db2.gz FDPHOKARLRMCIT-SNVBAGLBSA-N 0 3 255.318 -1.041 20 0 CAADHN COC[C@]1(CO)CCN(CCN2C(=O)CNC2=O)C1 ZINC001327565709 884902649 /nfs/dbraw/zinc/90/26/49/884902649.db2.gz WHVCKZUWAYRPMD-GFCCVEGCSA-N 0 3 271.317 -1.131 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001327595851 884908731 /nfs/dbraw/zinc/90/87/31/884908731.db2.gz QRTQKMZZPITUBH-LLVKDONJSA-N 0 3 269.305 -1.646 20 0 CAADHN C[C@H](C(=O)N1CCOC2(CNC2)C1)S(C)(=O)=O ZINC001327633390 884911972 /nfs/dbraw/zinc/91/19/72/884911972.db2.gz SWLHWSLWGPXEFO-MRVPVSSYSA-N 0 3 262.331 -1.380 20 0 CAADHN NC(=O)CSCC(=O)N1CCOC2(CNC2)C1 ZINC001327617902 884912110 /nfs/dbraw/zinc/91/21/10/884912110.db2.gz VZZAJKQSPNDFNE-UHFFFAOYSA-N 0 3 259.331 -1.594 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCC(=O)N(C)C ZINC001327657879 884917137 /nfs/dbraw/zinc/91/71/37/884917137.db2.gz OCGCUJAKHXIVRV-UHFFFAOYSA-N 0 3 272.349 -1.399 20 0 CAADHN CN1CCN(CCCNC(=O)[C@@H]2CC(=O)N2)CC1 ZINC001327721220 884919915 /nfs/dbraw/zinc/91/99/15/884919915.db2.gz XMUFPWGMAHSDBM-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN C[C@@H](CCNC(=O)Cc1nnc[n-]1)[NH2+]CC(N)=O ZINC001328436340 884986845 /nfs/dbraw/zinc/98/68/45/884986845.db2.gz JGYACLOSGGCILI-ZETCQYMHSA-N 0 3 254.294 -1.683 20 0 CAADHN COCCN1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001328520871 884994532 /nfs/dbraw/zinc/99/45/32/884994532.db2.gz XKGHHJPSCJYNMA-UHFFFAOYSA-N 0 3 273.333 -1.549 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1nccnc1C(N)=O ZINC001328702933 885017458 /nfs/dbraw/zinc/01/74/58/885017458.db2.gz NNIPLOFFCXQPNK-ZETCQYMHSA-N 0 3 267.289 -1.772 20 0 CAADHN NC(=O)NC(=O)CCN[C@H]1CCCS(=O)(=O)C1 ZINC001329141816 885067971 /nfs/dbraw/zinc/06/79/71/885067971.db2.gz MFZYODZYMLALMY-ZETCQYMHSA-N 0 3 263.319 -1.262 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001329058712 885053692 /nfs/dbraw/zinc/05/36/92/885053692.db2.gz CIGWZSYSBWGWRK-WDEREUQCSA-N 0 3 265.317 -1.054 20 0 CAADHN CNC(=O)[C@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC001329173757 885073983 /nfs/dbraw/zinc/07/39/83/885073983.db2.gz ARRYDSLMAKTLSS-RXMQYKEDSA-N 0 3 253.266 -2.013 20 0 CAADHN CCn1nc(C(=O)NC[C@H]2CNCCO2)ccc1=O ZINC001329270223 885086045 /nfs/dbraw/zinc/08/60/45/885086045.db2.gz SHLLFUSBGVZMGQ-SECBINFHSA-N 0 3 266.301 -1.019 20 0 CAADHN C[C@@H](CNC(=O)C1=NC(=O)N(C)C1)N(C)CC(N)=O ZINC001329530341 885114179 /nfs/dbraw/zinc/11/41/79/885114179.db2.gz GURBWCSXIWNIAZ-ZETCQYMHSA-N 0 3 269.305 -1.339 20 0 CAADHN CS(=O)(=O)CCNC[C@@]12COC(=O)N1CCOC2 ZINC001329646156 885127300 /nfs/dbraw/zinc/12/73/00/885127300.db2.gz HFVXSWYPMPWLOK-SNVBAGLBSA-N 0 3 278.330 -1.158 20 0 CAADHN O=C([C@H]1CCC(=O)O1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001329581317 885118523 /nfs/dbraw/zinc/11/85/23/885118523.db2.gz DDTKSCKJFACCHP-IVZWLZJFSA-N 0 3 254.286 -1.031 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC001329843640 885146232 /nfs/dbraw/zinc/14/62/32/885146232.db2.gz QEBNVTIAMCZEGO-XHNCKOQMSA-N 0 3 291.373 -1.468 20 0 CAADHN O=C1NC[C@@H]2CN(C[C@@H]3CNCCO3)CCN2C1=O ZINC001330583644 885205026 /nfs/dbraw/zinc/20/50/26/885205026.db2.gz BULMGPIUZDPTRC-ZJUUUORDSA-N 0 3 268.317 -2.383 20 0 CAADHN Cn1cc([C@@H](CO)NCCc2nnnn2C)cn1 ZINC001330655433 885217005 /nfs/dbraw/zinc/21/70/05/885217005.db2.gz PKLWCMJQSJSWPA-SECBINFHSA-N 0 3 251.294 -1.191 20 0 CAADHN O=C1CNC(=O)N1CCN1[C@H](CO)CC[C@H]1CO ZINC001330692623 885219536 /nfs/dbraw/zinc/21/95/36/885219536.db2.gz YMVOHAAIQRGKFW-IUCAKERBSA-N 0 3 257.290 -1.644 20 0 CAADHN COCCOC[C@@H](O)CN1CC[C@@](O)(C(=O)OC)C1 ZINC001330732741 885224266 /nfs/dbraw/zinc/22/42/66/885224266.db2.gz NXJPQPSADVLELD-JQWIXIFHSA-N 0 3 277.317 -1.380 20 0 CAADHN CNC(=O)[C@H](C)N(C)C1CCN(C(=O)C(N)=O)CC1 ZINC001331039516 885249403 /nfs/dbraw/zinc/24/94/03/885249403.db2.gz RFIBUBAPCTXLNA-QMMMGPOBSA-N 0 3 270.333 -1.471 20 0 CAADHN CCC(=O)NC[C@H](CO)NCCN1C(=O)CNC1=O ZINC001331666467 885302380 /nfs/dbraw/zinc/30/23/80/885302380.db2.gz RJAGHINWMMVBAS-MRVPVSSYSA-N 0 3 272.305 -1.985 20 0 CAADHN NC(=O)CC(=O)NC[C@H](CO)NCCc1ccns1 ZINC001331687121 885313138 /nfs/dbraw/zinc/31/31/38/885313138.db2.gz ZCUMOCDEWYPAGW-MRVPVSSYSA-N 0 3 286.357 -1.372 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001331774987 885343986 /nfs/dbraw/zinc/34/39/86/885343986.db2.gz QHMOJPZGPKJQDG-IUCAKERBSA-N 0 3 274.321 -2.229 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@]1(C)CCNC1=O ZINC001331788615 885347563 /nfs/dbraw/zinc/34/75/63/885347563.db2.gz XGZGKXYHGYFVIK-JOYOIKCWSA-N 0 3 273.333 -1.774 20 0 CAADHN CC(=O)N(C)C[C@H](O)CN[C@H]1CCC(=O)NC1=O ZINC001332470988 885410773 /nfs/dbraw/zinc/41/07/73/885410773.db2.gz LUQGKTNUIFCLLI-BDAKNGLRSA-N 0 3 257.290 -1.780 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)C(F)F)C(N)=O ZINC001332470373 885411611 /nfs/dbraw/zinc/41/16/11/885411611.db2.gz JHQBAIBAKPRDAH-NTSWFWBYSA-N 0 3 253.249 -1.466 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)COC)C(N)=O ZINC001332472587 885413463 /nfs/dbraw/zinc/41/34/63/885413463.db2.gz UCVWOKOXCARBRV-DTWKUNHWSA-N 0 3 261.322 -1.694 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@@H](O)CNCCF ZINC001332504920 885416072 /nfs/dbraw/zinc/41/60/72/885416072.db2.gz PPIKCOXGEPRXKL-VIFPVBQESA-N 0 3 263.313 -1.109 20 0 CAADHN CN(CCOCC(F)F)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001332664525 885430743 /nfs/dbraw/zinc/43/07/43/885430743.db2.gz UWKQURUQDSLRRE-QMMMGPOBSA-N 0 3 297.302 -1.496 20 0 CAADHN CC1(C)CNC(=O)[C@H]1NC[C@H](O)Cn1ccnn1 ZINC001332899619 885445656 /nfs/dbraw/zinc/44/56/56/885445656.db2.gz UPJWSMBYKAHYNG-DTWKUNHWSA-N 0 3 253.306 -1.247 20 0 CAADHN CNC(=O)CCCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC001332864581 885442103 /nfs/dbraw/zinc/44/21/03/885442103.db2.gz AHNNEXUJTPBIOD-QMMMGPOBSA-N 0 3 256.306 -1.005 20 0 CAADHN O=C1NC(=O)[C@@H]2CN(CCN3CCOC3=O)C[C@H]12 ZINC001333036285 885454394 /nfs/dbraw/zinc/45/43/94/885454394.db2.gz GWECTRODWPOWJY-OCAPTIKFSA-N 0 3 253.258 -1.357 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1cnn(C)c1 ZINC001333194137 885464134 /nfs/dbraw/zinc/46/41/34/885464134.db2.gz YOXKMSNIWGOQPD-UHFFFAOYSA-N 0 3 283.332 -1.416 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)[C@@]1(F)CCOC1 ZINC001333245364 885468813 /nfs/dbraw/zinc/46/88/13/885468813.db2.gz MIJLHPZYXCFKNI-GFCCVEGCSA-N 0 3 291.323 -1.335 20 0 CAADHN CO[C@@H](CN)C(=O)NCCN1C(=S)N=NC1C ZINC001333629821 885496714 /nfs/dbraw/zinc/49/67/14/885496714.db2.gz BCONQGNSTSMHFS-ZETCQYMHSA-N 0 3 259.335 -1.035 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C1(n2cnnn2)CC1 ZINC001333631044 885496985 /nfs/dbraw/zinc/49/69/85/885496985.db2.gz VALTVIPOXZYKBU-QMMMGPOBSA-N 0 3 252.278 -1.733 20 0 CAADHN CC(C)N(C)CC(=O)NC1CC(CNC(=O)C(N)=O)C1 ZINC001333715406 885503939 /nfs/dbraw/zinc/50/39/39/885503939.db2.gz ZSGDDUIEAIFRPU-UHFFFAOYSA-N 0 3 284.360 -1.177 20 0 CAADHN O[C@@H](CN1C[C@H](O)C[C@H](O)C1)C[C@@]1(O)CCOC1 ZINC001333834511 885508205 /nfs/dbraw/zinc/50/82/05/885508205.db2.gz OTRFDNYWQBLXRQ-KXNHARMFSA-N 0 3 261.318 -1.684 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NCCN1CC[C@H](O)C1 ZINC001335298771 885610040 /nfs/dbraw/zinc/61/00/40/885610040.db2.gz NERHSHUEXVCGKQ-IUCAKERBSA-N 0 3 269.301 -1.778 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)C[C@]2(O)CCOC2)C1=O ZINC001336294255 885656618 /nfs/dbraw/zinc/65/66/18/885656618.db2.gz HZKHEMSQZDBNBY-JBLDHEPKSA-N 0 3 258.318 -1.291 20 0 CAADHN O=C(CNC[C@H](O)C[C@]1(O)CCOC1)NC1CC1 ZINC001336727781 885681692 /nfs/dbraw/zinc/68/16/92/885681692.db2.gz PEOYPTAUYCWTSS-ZYHUDNBSSA-N 0 3 258.318 -1.243 20 0 CAADHN Cn1ccc(NC(=O)C2CNCCS2(=O)=O)n1 ZINC001336693370 885677150 /nfs/dbraw/zinc/67/71/50/885677150.db2.gz PNQAYLJDRYSDHT-ZETCQYMHSA-N 0 3 258.303 -1.255 20 0 CAADHN CCS(=O)(=O)CCNC(=O)N1CCNCCNCC1 ZINC001338504734 885749357 /nfs/dbraw/zinc/74/93/57/885749357.db2.gz FXKVXLDYPKCBNB-UHFFFAOYSA-N 0 3 292.405 -1.375 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N1CC=C[C@@H]1CO ZINC001338539101 885749427 /nfs/dbraw/zinc/74/94/27/885749427.db2.gz QLACGQADBYTAOR-GFCCVEGCSA-N 0 3 299.371 -1.170 20 0 CAADHN CCN(CC)CC(=O)N(C)C1CC(NC(=O)C(N)=O)C1 ZINC001339198809 885767578 /nfs/dbraw/zinc/76/75/78/885767578.db2.gz QJZQSCMTRKXQOS-UHFFFAOYSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](C(=O)NC1CC(N(C)C(=O)C(N)=O)C1)N(C)C ZINC001339276500 885765088 /nfs/dbraw/zinc/76/50/88/885765088.db2.gz CSWNWTLBJNWBLV-RTBKNWGFSA-N 0 3 284.360 -1.083 20 0 CAADHN CC(C)[C@@H]1C(=O)NCCN1C(=O)[C@H]1CNCCN1C ZINC001339921608 885783463 /nfs/dbraw/zinc/78/34/63/885783463.db2.gz YFZRSMXTZMKPEJ-GHMZBOCLSA-N 0 3 268.361 -1.127 20 0 CAADHN C[C@@H]1NCCN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@H]1C ZINC001340280289 885796620 /nfs/dbraw/zinc/79/66/20/885796620.db2.gz BRSYMAISELOAPM-FXQIFTODSA-N 0 3 254.290 -1.207 20 0 CAADHN COC[C@H](N)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC001340248191 885796775 /nfs/dbraw/zinc/79/67/75/885796775.db2.gz FOPMOCGFQQSKTR-QWRGUYRKSA-N 0 3 258.366 -1.288 20 0 CAADHN CN1C(=S)N=NC1CNC(=O)[C@H]1CNCCN1C ZINC001340047714 885789027 /nfs/dbraw/zinc/78/90/27/885789027.db2.gz SYLYSHWKEUXOME-SSDOTTSWSA-N 0 3 270.362 -1.376 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@@H]2CNCCO2)C1=O ZINC001340332968 885803647 /nfs/dbraw/zinc/80/36/47/885803647.db2.gz IBOJTORZYDDZGN-DTWKUNHWSA-N 0 3 257.290 -2.052 20 0 CAADHN N[C@H](CO)C(=O)N1CCNC[C@H]1c1ccncc1 ZINC001340335627 885803920 /nfs/dbraw/zinc/80/39/20/885803920.db2.gz YUWNNMHCIPEKAV-MNOVXSKESA-N 0 3 250.302 -1.126 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1C(=O)C[C@@H]1NC(=O)NC1=O ZINC001340280295 885798584 /nfs/dbraw/zinc/79/85/84/885798584.db2.gz BRSYMAISELOAPM-RNJXMRFFSA-N 0 3 254.290 -1.207 20 0 CAADHN CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2CNCCN2C)C1=O ZINC001340767165 885813293 /nfs/dbraw/zinc/81/32/93/885813293.db2.gz LOULPMIEGKPFJP-NXEZZACHSA-N 0 3 282.344 -1.458 20 0 CAADHN CONC(=O)C1CCN(C(=O)[C@H]2CNCCN2C)CC1 ZINC001340823317 885817891 /nfs/dbraw/zinc/81/78/91/885817891.db2.gz LDBOANYHFIGHLO-LLVKDONJSA-N 0 3 284.360 -1.194 20 0 CAADHN CN(C)CCOCCNC(=O)C1CNCCS1(=O)=O ZINC001340998337 885825121 /nfs/dbraw/zinc/82/51/21/885825121.db2.gz BSXNXRNIFLBDNM-SNVBAGLBSA-N 0 3 293.389 -1.933 20 0 CAADHN COCCNCC(=O)N1CCN2CCOC[C@@H]2C1 ZINC001341627063 885848514 /nfs/dbraw/zinc/84/85/14/885848514.db2.gz MLAMPTXBFHPDRG-NSHDSACASA-N 0 3 257.334 -1.235 20 0 CAADHN COCCNCC(=O)NCC[C@H]1CNCCS1(=O)=O ZINC001341644915 885850137 /nfs/dbraw/zinc/85/01/37/885850137.db2.gz BKXPVJAJQJONIK-JTQLQIEISA-N 0 3 293.389 -1.885 20 0 CAADHN C[C@@H](CNC(=O)C1CNCCS1(=O)=O)N(C)C ZINC001341568945 885844787 /nfs/dbraw/zinc/84/47/87/885844787.db2.gz FPWDQGJWKWTHIB-DTWKUNHWSA-N 0 3 263.363 -1.561 20 0 CAADHN COc1nn(C)cc1CNC(=O)[C@H]1CNCCN1C ZINC001342174480 885876058 /nfs/dbraw/zinc/87/60/58/885876058.db2.gz TXFBXVXEUAIWHK-SNVBAGLBSA-N 0 3 267.333 -1.052 20 0 CAADHN Cn1nnnc1CCCNC(=O)C[C@H]1CNCCO1 ZINC001342182217 885876867 /nfs/dbraw/zinc/87/68/67/885876867.db2.gz CRKLKZCUTFHDCM-VIFPVBQESA-N 0 3 268.321 -1.363 20 0 CAADHN CN1C[C@H](C(=O)N[C@H]2COC3(CNC3)C2)NCC1=O ZINC001342216914 885879202 /nfs/dbraw/zinc/87/92/02/885879202.db2.gz XYTRRBGUBXTFIY-RKDXNWHRSA-N 0 3 268.317 -2.336 20 0 CAADHN CN(C[C@@H]1COCCO1)C(=O)[C@@H]1CNCCN1C ZINC001342217887 885879774 /nfs/dbraw/zinc/87/97/74/885879774.db2.gz GFANEJHDPYBONQ-MNOVXSKESA-N 0 3 257.334 -1.236 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H]2COC3(CNC3)C2)NCC1=O ZINC001342216911 885879834 /nfs/dbraw/zinc/87/98/34/885879834.db2.gz XYTRRBGUBXTFIY-BDAKNGLRSA-N 0 3 268.317 -2.336 20 0 CAADHN C[C@@H](NC(=O)C[C@H]1CNCCO1)c1nnnn1C ZINC001342464296 885889637 /nfs/dbraw/zinc/88/96/37/885889637.db2.gz SWSGWEFFZUGEFN-SFYZADRCSA-N 0 3 254.294 -1.234 20 0 CAADHN O=C1CNC(=O)N1CCCN1CC[C@H](CO)[C@H](O)C1 ZINC001342948081 885903634 /nfs/dbraw/zinc/90/36/34/885903634.db2.gz RUQVMJWNIAZLNP-NXEZZACHSA-N 0 3 271.317 -1.397 20 0 CAADHN O=C([C@H]1CCCS1(=O)=O)N1CCNCCNCC1 ZINC001342621257 885894220 /nfs/dbraw/zinc/89/42/20/885894220.db2.gz FXRCJQMTXLWANV-SNVBAGLBSA-N 0 3 275.374 -1.415 20 0 CAADHN CN1C[C@H](C(=O)N2CCOC3(CNC3)C2)NCC1=O ZINC001344093885 885933216 /nfs/dbraw/zinc/93/32/16/885933216.db2.gz WXZOBWHQVVSMRY-SECBINFHSA-N 0 3 268.317 -2.383 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCc2cnn(C)n2)C1 ZINC001344553258 885945872 /nfs/dbraw/zinc/94/58/72/885945872.db2.gz OUKAXERUFBBNDW-NSHDSACASA-N 0 3 268.321 -1.319 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC[C@@H](O)C[C@@]1(O)CCOC1 ZINC001345195008 885958090 /nfs/dbraw/zinc/95/80/90/885958090.db2.gz HGMMVDYKLBNWON-SCVCMEIPSA-N 0 3 276.333 -1.113 20 0 CAADHN Cn1nccc1[C@@H](O)CNC(=O)C[C@H]1CNCCO1 ZINC001345233751 885959613 /nfs/dbraw/zinc/95/96/13/885959613.db2.gz ZXJAWXXZSQRLTD-ONGXEEELSA-N 0 3 268.317 -1.052 20 0 CAADHN CC1(C)C[C@@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC001345913163 885973971 /nfs/dbraw/zinc/97/39/71/885973971.db2.gz SCBFAONDPVTRJN-JTQLQIEISA-N 0 3 268.361 -1.078 20 0 CAADHN CN(C)S(=O)(=O)NCCNC[C@](C)(O)C(F)F ZINC001346299828 885996476 /nfs/dbraw/zinc/99/64/76/885996476.db2.gz OWBSLVLAZLWZGR-QMMMGPOBSA-N 0 3 275.321 -1.012 20 0 CAADHN Cn1nccc1NC(=O)C1CNCCS1(=O)=O ZINC001346068248 885985284 /nfs/dbraw/zinc/98/52/84/885985284.db2.gz KOBKXVWERZINFI-ZETCQYMHSA-N 0 3 258.303 -1.255 20 0 CAADHN Cn1cc(CNC(=O)NC[C@@]2(O)CCN(C)C2)nn1 ZINC001346155554 885989024 /nfs/dbraw/zinc/98/90/24/885989024.db2.gz FBDXXLRIJMQSJB-NSHDSACASA-N 0 3 268.321 -1.319 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001346865890 886020159 /nfs/dbraw/zinc/02/01/59/886020159.db2.gz HNXJRDTZDPVKMA-UWVGGRQHSA-N 0 3 266.305 -1.659 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC001347073189 886027142 /nfs/dbraw/zinc/02/71/42/886027142.db2.gz HSNJFAJJEZTXAJ-DCAQKATOSA-N 0 3 267.329 -1.041 20 0 CAADHN O=C1N[C@]2(CCOC2)C(=O)N1C[C@H]1CNCCO1 ZINC001346687580 886017777 /nfs/dbraw/zinc/01/77/77/886017777.db2.gz JKUDLLPUVNWPRL-KCJUWKMLSA-N 0 3 255.274 -1.314 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@H]2CCOC2=O)C1 ZINC001347832885 886056374 /nfs/dbraw/zinc/05/63/74/886056374.db2.gz CJSSZNMARWSNEU-KWQFWETISA-N 0 3 257.290 -1.332 20 0 CAADHN Cn1cc(C(=O)C(=O)NC[C@H]2CNCCO2)cn1 ZINC001348942939 886110371 /nfs/dbraw/zinc/11/03/71/886110371.db2.gz IGGMHFVTOWYTAV-SECBINFHSA-N 0 3 252.274 -1.293 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CNCCO2)C1=O ZINC001348944580 886109052 /nfs/dbraw/zinc/10/90/52/886109052.db2.gz RSZPXHNGPZNZJU-ZETCQYMHSA-N 0 3 284.272 -2.488 20 0 CAADHN O=C(N[C@H]1CCOC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001349002340 886109094 /nfs/dbraw/zinc/10/90/94/886109094.db2.gz DCNNTUYSPWKOTF-AEJSXWLSSA-N 0 3 269.301 -1.238 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(CC(N)=O)nn2)[C@@H](C)CN1 ZINC001349403164 886125996 /nfs/dbraw/zinc/12/59/96/886125996.db2.gz JRCIQXGABHBSCU-SFYZADRCSA-N 0 3 266.305 -1.414 20 0 CAADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)CN)S(C)(=O)=O ZINC001350340135 886168285 /nfs/dbraw/zinc/16/82/85/886168285.db2.gz AZSPHRKHQSDPAR-NKWVEPMBSA-N 0 3 265.335 -2.001 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CC[C@H](F)C1 ZINC001350965186 886193780 /nfs/dbraw/zinc/19/37/80/886193780.db2.gz KBAQUZMPOSLTEN-JTQLQIEISA-N 0 3 272.324 -1.422 20 0 CAADHN Cn1cnc(C(=O)NC[C@H]2CNCCO2)cc1=O ZINC001352849864 886250178 /nfs/dbraw/zinc/25/01/78/886250178.db2.gz RIHASPLQMSASIW-MRVPVSSYSA-N 0 3 252.274 -1.502 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)CC(N)=O)C1)N(C)C ZINC001352897669 886250251 /nfs/dbraw/zinc/25/02/51/886250251.db2.gz MADHRCSKIJENNU-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN Cn1c(C(=O)N[C@H]2COC3(CNC3)C2)c[nH]c1=O ZINC001354072876 886299368 /nfs/dbraw/zinc/29/93/68/886299368.db2.gz DWKJRYXKQKTKFD-SSDOTTSWSA-N 0 3 252.274 -1.014 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CCNCCNCC1 ZINC001355027695 886329522 /nfs/dbraw/zinc/32/95/22/886329522.db2.gz HWTOKKYXIZIWDU-UHFFFAOYSA-N 0 3 263.363 -1.558 20 0 CAADHN CC(=O)N1CC[C@@H](NC(=O)[C@H]2CNCCN2C)C1 ZINC001354358538 886308751 /nfs/dbraw/zinc/30/87/51/886308751.db2.gz NTPOIQFMBRURMP-GHMZBOCLSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@H](NC(=O)[C@H]1CNCCN1C)c1nnnn1C ZINC001355863202 886349311 /nfs/dbraw/zinc/34/93/11/886349311.db2.gz HNOFJKAHMDBFGQ-JGVFFNPUSA-N 0 3 253.310 -1.709 20 0 CAADHN CN1CC[C@H](NC[C@H](O)C2(O)CCOCC2)C1=O ZINC001356103784 886355427 /nfs/dbraw/zinc/35/54/27/886355427.db2.gz VYBXCVBHEXYBSW-UWVGGRQHSA-N 0 3 258.318 -1.291 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)C2(O)CCOCC2)C1=O ZINC001356103792 886355893 /nfs/dbraw/zinc/35/58/93/886355893.db2.gz VYBXCVBHEXYBSW-ZJUUUORDSA-N 0 3 258.318 -1.291 20 0 CAADHN CCN(CCC(=O)NC)C(=O)C(=O)N(C)CCN(C)C ZINC001356217808 886360769 /nfs/dbraw/zinc/36/07/69/886360769.db2.gz NMTARMXNCILXHJ-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)CC(N)=O)C1 ZINC001356751332 886378611 /nfs/dbraw/zinc/37/86/11/886378611.db2.gz STJOMZCVXYUKAB-VIFPVBQESA-N 0 3 268.317 -1.717 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)CC(N)=O)C1 ZINC001356751331 886379321 /nfs/dbraw/zinc/37/93/21/886379321.db2.gz STJOMZCVXYUKAB-SECBINFHSA-N 0 3 268.317 -1.717 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(CNC(=O)CC(N)=O)C1 ZINC001356805105 886384325 /nfs/dbraw/zinc/38/43/25/886384325.db2.gz RPWMPWQROZTVGG-UHFFFAOYSA-N 0 3 284.360 -1.223 20 0 CAADHN O=C(CN1CCOCC1)N[C@H]1COC2(CNC2)C1 ZINC001357846003 886415498 /nfs/dbraw/zinc/41/54/98/886415498.db2.gz JQIAJQVZJIBGBS-SNVBAGLBSA-N 0 3 255.318 -1.434 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@](C)(NC(=O)C(N)=O)C1)N(C)C ZINC001358804812 886441682 /nfs/dbraw/zinc/44/16/82/886441682.db2.gz ALUMABWMIOAAAH-ZANVPECISA-N 0 3 284.360 -1.081 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@@](C)(NC(=O)C(N)=O)C1 ZINC001358804967 886442990 /nfs/dbraw/zinc/44/29/90/886442990.db2.gz DOVQHSCEVPROCI-CYBMUJFWSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)[C@H](CO)NC(N)=O ZINC001362235846 886565151 /nfs/dbraw/zinc/56/51/51/886565151.db2.gz RWSASFCJMOSFKV-JEZHCXPESA-N 0 3 270.333 -1.386 20 0 CAADHN CCN(CCO)CCNC(=O)C1=C2CCCN=C2NN1 ZINC001362412952 886609370 /nfs/dbraw/zinc/60/93/70/886609370.db2.gz ZZIXJWNRNIEWTD-UHFFFAOYSA-N 0 3 281.360 -1.029 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)[C@H](CO)NC(N)=O)CN1C1CC1 ZINC001362550763 886644818 /nfs/dbraw/zinc/64/48/18/886644818.db2.gz ZZYXNVINRYNYIR-MRTMQBJTSA-N 0 3 270.333 -1.243 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001362870394 886734319 /nfs/dbraw/zinc/73/43/19/886734319.db2.gz FHKJAENBPMXKML-KXUCPTDWSA-N 0 3 286.332 -2.317 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC(NS(N)(=O)=O)C2)C1 ZINC001363079917 886786044 /nfs/dbraw/zinc/78/60/44/886786044.db2.gz FBCBPYSHYQRZNC-MRVPVSSYSA-N 0 3 276.362 -1.668 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)NC[C@@H]1CCCCN1CCO ZINC001363032885 886774086 /nfs/dbraw/zinc/77/40/86/886774086.db2.gz PCYCTBMVQLRGEM-VHSXEESVSA-N 0 3 288.348 -2.021 20 0 CAADHN CCN1C[C@H](CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)OC1=O ZINC001363304068 886860804 /nfs/dbraw/zinc/86/08/04/886860804.db2.gz RAQLNWWOBXHPSX-XHNCKOQMSA-N 0 3 284.316 -1.654 20 0 CAADHN CN(CCO)CCNC(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001363398640 886890833 /nfs/dbraw/zinc/89/08/33/886890833.db2.gz BAAWXROBUDHBNS-GHMZBOCLSA-N 0 3 283.332 -1.372 20 0 CAADHN CN(C)CCN1CCN(C[C@@H](O)C(C)(C)O)CC1=O ZINC001363819402 886992328 /nfs/dbraw/zinc/99/23/28/886992328.db2.gz YTSQBUHVUHBRER-LLVKDONJSA-N 0 3 273.377 -1.176 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H](O)CO)CC1=O ZINC001364392203 887075777 /nfs/dbraw/zinc/07/57/77/887075777.db2.gz XHDXBQOYGKAKQR-NXEZZACHSA-N 0 3 273.333 -2.134 20 0 CAADHN CS(=O)(=O)N1CC(CN2CCC[C@@H](CO)[C@H]2CO)C1 ZINC001364467231 887090766 /nfs/dbraw/zinc/09/07/66/887090766.db2.gz MAZHJQMLZSLPKU-NWDGAFQWSA-N 0 3 292.401 -1.057 20 0 CAADHN CNC(=O)N[C@@H]1CCCN(CCC(=O)NC(N)=O)C1 ZINC001364511443 887101820 /nfs/dbraw/zinc/10/18/20/887101820.db2.gz WUROJDYBFDEOBO-MRVPVSSYSA-N 0 3 271.321 -1.035 20 0 CAADHN Cn1nncc1CNCC1(O)CCS(=O)(=O)CC1 ZINC001364895155 887151876 /nfs/dbraw/zinc/15/18/76/887151876.db2.gz IHWLBHUUUOOKDE-UHFFFAOYSA-N 0 3 274.346 -1.156 20 0 CAADHN O=C(CN1CCOCC1=O)N1CC(N[C@H]2CCOC2)C1 ZINC001364999257 887163825 /nfs/dbraw/zinc/16/38/25/887163825.db2.gz YCXNCDKPXSRHKJ-JTQLQIEISA-N 0 3 283.328 -1.566 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001365975553 887259135 /nfs/dbraw/zinc/25/91/35/887259135.db2.gz IAHKLODWLXFONL-SNVBAGLBSA-N 0 3 293.389 -1.108 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCOC1)NCC(=O)NC(N)=O ZINC001366257084 887279392 /nfs/dbraw/zinc/27/93/92/887279392.db2.gz IIGPZHALYHONMM-YUMQZZPRSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN1CCOCC1 ZINC001366265236 887280359 /nfs/dbraw/zinc/28/03/59/887280359.db2.gz QAOMEGZFVDSFAC-SNVBAGLBSA-N 0 3 272.349 -1.841 20 0 CAADHN C[C@@H](CNC(=O)CS(C)(=O)=O)N[C@H]1CCNC1=O ZINC001366255440 887280392 /nfs/dbraw/zinc/28/03/92/887280392.db2.gz FDEOAJHMPPLTCZ-YUMQZZPRSA-N 0 3 277.346 -1.986 20 0 CAADHN CO[C@@H](C)CC(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001366253727 887281127 /nfs/dbraw/zinc/28/11/27/887281127.db2.gz AJIZCOQFAJVMLO-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)NCC(=O)N1CCC1 ZINC001366274982 887284773 /nfs/dbraw/zinc/28/47/73/887284773.db2.gz NZTYCJJPRAULTA-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)NCC(=O)N1CCC1 ZINC001366313797 887288135 /nfs/dbraw/zinc/28/81/35/887288135.db2.gz WWFNSMUDYXZRFU-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC ZINC001366314188 887291525 /nfs/dbraw/zinc/29/15/25/887291525.db2.gz WWZLLGMJHCXORF-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN CCCS(=O)(=O)CC(=O)NC[C@H](C)N[C@@H](C)C(N)=O ZINC001366363927 887294427 /nfs/dbraw/zinc/29/44/27/887294427.db2.gz ISQWVIGSWZMVHL-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001366251593 887277756 /nfs/dbraw/zinc/27/77/56/887277756.db2.gz WSMMRAJMWYCLNH-MRVPVSSYSA-N 0 3 270.333 -1.505 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)COC[C@@H]2CCCO2)C1 ZINC001366391922 887296358 /nfs/dbraw/zinc/29/63/58/887296358.db2.gz VBFTULLQUUOKJZ-QWRGUYRKSA-N 0 3 285.344 -1.142 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)CCNC(N)=O)C1)C(N)=O ZINC001366387685 887297525 /nfs/dbraw/zinc/29/75/25/887297525.db2.gz IKUXLYMUKSUZHY-IUCAKERBSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001366374005 887297591 /nfs/dbraw/zinc/29/75/91/887297591.db2.gz GLAROYBWCIXXMW-WPRPVWTQSA-N 0 3 270.333 -1.553 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1CNC(=O)N1 ZINC001366566577 887316358 /nfs/dbraw/zinc/31/63/58/887316358.db2.gz TZJAFWJZDDFMJE-RKDXNWHRSA-N 0 3 274.321 -2.277 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)Cc1nc[nH]n1 ZINC001366577002 887317089 /nfs/dbraw/zinc/31/70/89/887317089.db2.gz BNZYRJVMLWMRAC-SECBINFHSA-N 0 3 271.321 -1.598 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1nccnc1N ZINC001366525422 887307391 /nfs/dbraw/zinc/30/73/91/887307391.db2.gz PTNOIKLAYQDWEF-VIFPVBQESA-N 0 3 283.332 -1.272 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CN(C)CCO1)C(N)=O ZINC001366766143 887332912 /nfs/dbraw/zinc/33/29/12/887332912.db2.gz VNCBEGPPCNSZDL-UWVGGRQHSA-N 0 3 272.349 -1.761 20 0 CAADHN CCN(CCNC(=O)[C@H]1COCCO1)C[C@@H](O)COC ZINC001366606524 887321270 /nfs/dbraw/zinc/32/12/70/887321270.db2.gz KTZWNEGQOCXJQG-VXGBXAGGSA-N 0 3 290.360 -1.153 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001367004105 887357426 /nfs/dbraw/zinc/35/74/26/887357426.db2.gz HUJKZOHKXXHLEM-GUBZILKMSA-N 0 3 288.348 -1.759 20 0 CAADHN COC[C@@H](OC)C(=O)N[C@H]1CCN(C[C@H](O)COC)C1 ZINC001367016033 887360035 /nfs/dbraw/zinc/36/00/35/887360035.db2.gz MDIOACKYEFXNJF-SDDRHHMPSA-N 0 3 290.360 -1.154 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cccc(=O)n1C ZINC001367389807 887382107 /nfs/dbraw/zinc/38/21/07/887382107.db2.gz ZBYNPMMPRBHLHQ-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@H]1CCN(C[C@H](C)O)C1 ZINC001367030776 887363722 /nfs/dbraw/zinc/36/37/22/887363722.db2.gz PUXOHYSNCSFUBJ-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)OC)N[C@@H](C)C(N)=O ZINC001367091283 887364651 /nfs/dbraw/zinc/36/46/51/887364651.db2.gz KMYPIAGQDDSRBQ-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)NCC(N)=O ZINC001367107343 887365176 /nfs/dbraw/zinc/36/51/76/887365176.db2.gz IIACFYUNWHJAON-SFYZADRCSA-N 0 3 279.362 -1.611 20 0 CAADHN CC[C@@H](CNC(=O)CO[C@@H]1CCOC1)NCC(N)=O ZINC001367098512 887365235 /nfs/dbraw/zinc/36/52/35/887365235.db2.gz FUCBIWJYLPZYGU-VHSXEESVSA-N 0 3 273.333 -1.238 20 0 CAADHN COCCN(C)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC001367520894 887387947 /nfs/dbraw/zinc/38/79/47/887387947.db2.gz PYHMSAGNQSXYIZ-UHFFFAOYSA-N 0 3 285.348 -1.382 20 0 CAADHN COCC(=O)NC[C@H](O)CNCC(=O)N1CCCCC1 ZINC001367559750 887386207 /nfs/dbraw/zinc/38/62/07/887386207.db2.gz HYOQTHIVCKSSSY-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001367538805 887386661 /nfs/dbraw/zinc/38/66/61/887386661.db2.gz YDMAXQJSVPZRMK-NXEZZACHSA-N 0 3 288.348 -1.935 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(F)c[nH]1 ZINC001367605019 887408571 /nfs/dbraw/zinc/40/85/71/887408571.db2.gz UEAVLXNYIHHECW-MRVPVSSYSA-N 0 3 272.280 -1.420 20 0 CAADHN CCC[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001367572609 887393460 /nfs/dbraw/zinc/39/34/60/887393460.db2.gz BEAYMNOTXOVRBM-IUCAKERBSA-N 0 3 288.348 -1.316 20 0 CAADHN CCC[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001367572610 887394481 /nfs/dbraw/zinc/39/44/81/887394481.db2.gz BEAYMNOTXOVRBM-RKDXNWHRSA-N 0 3 288.348 -1.316 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ocnc1C ZINC001367576050 887395480 /nfs/dbraw/zinc/39/54/80/887395480.db2.gz ATVOMNLHDNQLBH-DTWKUNHWSA-N 0 3 284.316 -1.202 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CC1(O)CCC1 ZINC001367577083 887396405 /nfs/dbraw/zinc/39/64/05/887396405.db2.gz DOVYDBNXGWXBAP-ZJUUUORDSA-N 0 3 287.360 -1.507 20 0 CAADHN Cn1nccc1CCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001367586363 887403633 /nfs/dbraw/zinc/40/36/33/887403633.db2.gz HZHNJUGTSPFJCF-JTQLQIEISA-N 0 3 283.332 -2.095 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CN1CCCCC1=O ZINC001367603866 887406870 /nfs/dbraw/zinc/40/68/70/887406870.db2.gz IRUBMIUCHOAVNN-SECBINFHSA-N 0 3 286.332 -2.449 20 0 CAADHN CC1(CC(=O)NC[C@H](O)CNCC(=O)NC(N)=O)CC1 ZINC001367600869 887406885 /nfs/dbraw/zinc/40/68/85/887406885.db2.gz MZFZLQXVCONSMN-MRVPVSSYSA-N 0 3 286.332 -1.562 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)c1nnn(C)n1 ZINC001367749411 887432273 /nfs/dbraw/zinc/43/22/73/887432273.db2.gz BLFFWQWNNVOFCJ-QMMMGPOBSA-N 0 3 281.320 -1.850 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]nc1C ZINC001367610530 887409361 /nfs/dbraw/zinc/40/93/61/887409361.db2.gz WYOUDRVLAJZRLF-SECBINFHSA-N 0 3 283.332 -1.465 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CC[C@H]1CCCCO1 ZINC001367623727 887411598 /nfs/dbraw/zinc/41/15/98/887411598.db2.gz QCVJIBHPRBNSPP-WDEREUQCSA-N 0 3 287.360 -1.112 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cn1cncn1 ZINC001367631575 887415735 /nfs/dbraw/zinc/41/57/35/887415735.db2.gz ONYWFTHWUYKNHP-RKDXNWHRSA-N 0 3 284.320 -2.521 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001367641323 887415753 /nfs/dbraw/zinc/41/57/53/887415753.db2.gz DTTIZAPKXLJVQD-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)C[C@@H]1CCNC1=O ZINC001367676192 887422216 /nfs/dbraw/zinc/42/22/16/887422216.db2.gz OKWSVLKMHNMOMO-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CCn1cnnn1)C(N)=O ZINC001367703715 887423511 /nfs/dbraw/zinc/42/35/11/887423511.db2.gz NZTAMEVACUCFEI-BDAKNGLRSA-N 0 3 283.336 -1.579 20 0 CAADHN CC(=O)N[C@@H](C)CNCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001367723251 887426483 /nfs/dbraw/zinc/42/64/83/887426483.db2.gz MVUNPZQXOCGGMQ-ONGXEEELSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CCCC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001367729525 887427009 /nfs/dbraw/zinc/42/70/09/887427009.db2.gz YDZACTOAVPXNOK-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CCOCC(=O)N[C@@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001367887128 887438429 /nfs/dbraw/zinc/43/84/29/887438429.db2.gz TVACVRFVAOQIBC-VIFPVBQESA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001368870272 887505591 /nfs/dbraw/zinc/50/55/91/887505591.db2.gz QUWDUMPAUKPFLF-JGVFFNPUSA-N 0 3 283.332 -1.032 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)CCNC(N)=O)CCC1 ZINC001368483612 887490438 /nfs/dbraw/zinc/49/04/38/887490438.db2.gz FJXHKLGSJHVCHR-UHFFFAOYSA-N 0 3 299.375 -1.191 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001368848283 887503983 /nfs/dbraw/zinc/50/39/83/887503983.db2.gz LPSVAELFLPYMBJ-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN CCOCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(N)=O ZINC001368839609 887504712 /nfs/dbraw/zinc/50/47/12/887504712.db2.gz UWNZSXPHMNKRCB-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)NCC(N)=O ZINC001368866232 887504745 /nfs/dbraw/zinc/50/47/45/887504745.db2.gz IPXRTSCHALTYAF-DTWKUNHWSA-N 0 3 285.348 -2.614 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CN(C)C(C)=O ZINC001368848289 887504777 /nfs/dbraw/zinc/50/47/77/887504777.db2.gz LPSVAELFLPYMBJ-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001368985456 887511633 /nfs/dbraw/zinc/51/16/33/887511633.db2.gz QTSYJKIABDOKDN-BDAKNGLRSA-N 0 3 286.336 -1.733 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCCCC1=O ZINC001368856638 887506659 /nfs/dbraw/zinc/50/66/59/887506659.db2.gz DJYUBPLEASVAII-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)[C@H](C)NCCF ZINC001368853132 887506704 /nfs/dbraw/zinc/50/67/04/887506704.db2.gz PARVGHUKHHKKPE-IUCAKERBSA-N 0 3 290.339 -1.309 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N(C)C ZINC001368842928 887507431 /nfs/dbraw/zinc/50/74/31/887507431.db2.gz IHEMDKDKKCLURO-BDAKNGLRSA-N 0 3 287.364 -1.514 20 0 CAADHN CNC(=O)CN(C)[C@H](C)CNC(=O)CCc1cnn[nH]1 ZINC001368991501 887514905 /nfs/dbraw/zinc/51/49/05/887514905.db2.gz ROUUYAKLBMIYLV-SECBINFHSA-N 0 3 282.348 -1.080 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCCO1)NCC(=O)NC(N)=O ZINC001369236513 887526018 /nfs/dbraw/zinc/52/60/18/887526018.db2.gz OXLUYZTXJJYSOQ-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)no1 ZINC001369450964 887568343 /nfs/dbraw/zinc/56/83/43/887568343.db2.gz HISWJRRDEYHMFM-IUCAKERBSA-N 0 3 284.316 -1.121 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cc1ccn(C)n1 ZINC001369469784 887571883 /nfs/dbraw/zinc/57/18/83/887571883.db2.gz OMMYMFFPRVQWEA-SNVBAGLBSA-N 0 3 283.332 -2.143 20 0 CAADHN CCn1nncc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001369462798 887571907 /nfs/dbraw/zinc/57/19/07/887571907.db2.gz YHUUOKRVURPDSL-QMMMGPOBSA-N 0 3 284.320 -2.194 20 0 CAADHN CCOC1CC(C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1 ZINC001369462286 887573282 /nfs/dbraw/zinc/57/32/82/887573282.db2.gz VPGCRSVFDMOJRO-YVNMAJEFSA-N 0 3 287.360 -1.304 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001369497358 887580972 /nfs/dbraw/zinc/58/09/72/887580972.db2.gz OLDOFIYSTWFKQC-VIFPVBQESA-N 0 3 277.321 -1.914 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001369499878 887583447 /nfs/dbraw/zinc/58/34/47/887583447.db2.gz DJMHYZCGAHPSCI-SECBINFHSA-N 0 3 286.336 -1.779 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001369512623 887584950 /nfs/dbraw/zinc/58/49/50/887584950.db2.gz WTUZFAVHJOSDBR-RKDXNWHRSA-N 0 3 275.305 -2.162 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](N[C@H](C)C(N)=O)C1CC1 ZINC001370128743 887603808 /nfs/dbraw/zinc/60/38/08/887603808.db2.gz GRPOHWHJDLXIJS-APPZFPTMSA-N 0 3 286.332 -1.299 20 0 CAADHN CC[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)COC)N(C)C ZINC001371006229 887644368 /nfs/dbraw/zinc/64/43/68/887644368.db2.gz XEDZPTFAFMKAHD-QWRGUYRKSA-N 0 3 289.376 -1.092 20 0 CAADHN C[C@@H](CNC(=O)Cc1ccon1)NCC(=O)NC(N)=O ZINC001371155655 887648037 /nfs/dbraw/zinc/64/80/37/887648037.db2.gz XIBVNZFMUZOFLL-ZETCQYMHSA-N 0 3 283.288 -1.494 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)N(C)C ZINC001371157575 887648447 /nfs/dbraw/zinc/64/84/47/887648447.db2.gz IWDHXTDVRPUXPM-YUMQZZPRSA-N 0 3 273.337 -1.774 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)NCC(=O)NCC1CC1 ZINC001371096864 887649546 /nfs/dbraw/zinc/64/95/46/887649546.db2.gz XYDVKDYGEWOGHL-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@H](C)C(=O)N(C)C ZINC001371311241 887656263 /nfs/dbraw/zinc/65/62/63/887656263.db2.gz NHYNJVWUFFJIPW-HTQZYQBOSA-N 0 3 283.336 -1.605 20 0 CAADHN COC[C@H](C)CC(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001371403999 887659459 /nfs/dbraw/zinc/65/94/59/887659459.db2.gz MRJCKEVXHOQMQA-BDAKNGLRSA-N 0 3 288.348 -1.052 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCCNC1=O ZINC001371206011 887650883 /nfs/dbraw/zinc/65/08/83/887650883.db2.gz LFAOWFQAFAOOSU-DTWKUNHWSA-N 0 3 285.348 -1.712 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)CN1CCOCC1 ZINC001371952898 887678588 /nfs/dbraw/zinc/67/85/88/887678588.db2.gz KEAMFIJXHRXNCU-GFCCVEGCSA-N 0 3 289.376 -1.626 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CO[C@H]1CCOC1 ZINC001372947558 887718348 /nfs/dbraw/zinc/71/83/48/887718348.db2.gz ZYBFIWOQHYVOPB-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H](C)CC(N)=O)C(N)=O ZINC001372956623 887719908 /nfs/dbraw/zinc/71/99/08/887719908.db2.gz YRILNZJMWNHUGG-DTWKUNHWSA-N 0 3 272.349 -1.190 20 0 CAADHN C[C@H](CC(=O)NCC1CN(CCCO)C1)NC(N)=O ZINC001373507202 887747404 /nfs/dbraw/zinc/74/74/04/887747404.db2.gz CWOZYZQAGNAVGY-SECBINFHSA-N 0 3 272.349 -1.136 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CN1CCNC(=O)C1)C(N)=O ZINC001374269591 887781333 /nfs/dbraw/zinc/78/13/33/887781333.db2.gz QJWNTTFFJPQFAY-VHSXEESVSA-N 0 3 299.375 -2.272 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C(F)F ZINC001374563953 887790873 /nfs/dbraw/zinc/79/08/73/887790873.db2.gz CFDYFZOVPYFUDV-NTSWFWBYSA-N 0 3 296.274 -1.838 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)C1=COCCC1 ZINC001374592101 887803389 /nfs/dbraw/zinc/80/33/89/887803389.db2.gz TYZRZQNHQLFMMP-GHMZBOCLSA-N 0 3 283.328 -1.364 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCOC1 ZINC001374590399 887805189 /nfs/dbraw/zinc/80/51/89/887805189.db2.gz LURFMYZCDDCHLE-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C1(C)CC1 ZINC001374602611 887814252 /nfs/dbraw/zinc/81/42/52/887814252.db2.gz GDFWFSWXRRZKIU-QMMMGPOBSA-N 0 3 286.332 -1.691 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C1(C)CC1 ZINC001374602603 887814294 /nfs/dbraw/zinc/81/42/94/887814294.db2.gz GDFWFSWXRRZKIU-MRVPVSSYSA-N 0 3 286.332 -1.691 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001374634172 887820661 /nfs/dbraw/zinc/82/06/61/887820661.db2.gz BAVCYICJYKDEGO-UXCLJVHYSA-N 0 3 285.344 -1.918 20 0 CAADHN CC(C)CC(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001374574030 887796728 /nfs/dbraw/zinc/79/67/28/887796728.db2.gz AVTNLDUMVADUAB-BDAKNGLRSA-N 0 3 288.348 -1.317 20 0 CAADHN CCCC(=O)NC[C@@H](O)CNCC(=O)NC(=O)NC ZINC001374573614 887797705 /nfs/dbraw/zinc/79/77/05/887797705.db2.gz PUCGWZLWSKMXPP-QMMMGPOBSA-N 0 3 274.321 -1.691 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccn(C)c1 ZINC001374593026 887803012 /nfs/dbraw/zinc/80/30/12/887803012.db2.gz LVJKGRNJJCASHP-NSHDSACASA-N 0 3 282.344 -1.206 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1nccs1 ZINC001374655652 887824867 /nfs/dbraw/zinc/82/48/67/887824867.db2.gz DSAAZCOSJJDEJU-ZETCQYMHSA-N 0 3 272.330 -1.431 20 0 CAADHN CC(C)[C@@H](C(=O)NC1CN(C(=O)CNC(N)=O)C1)N(C)C ZINC001374727220 887837798 /nfs/dbraw/zinc/83/77/98/887837798.db2.gz DCMMJRKPHSJNIT-NSHDSACASA-N 0 3 299.375 -1.432 20 0 CAADHN COCCC(=O)N[C@H](C)CNCC(=O)N1CCOCC1 ZINC001374722869 887838163 /nfs/dbraw/zinc/83/81/63/887838163.db2.gz WRIPIXXDYJTFNV-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)COCc1nccn1C ZINC001374775249 887841614 /nfs/dbraw/zinc/84/16/14/887841614.db2.gz JFYLIMDPVAWURH-SECBINFHSA-N 0 3 283.332 -1.484 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CCNC(=O)NC)C(N)=O ZINC001374879923 887849679 /nfs/dbraw/zinc/84/96/79/887849679.db2.gz BARSCEJYZDERLT-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001375204545 887865715 /nfs/dbraw/zinc/86/57/15/887865715.db2.gz YMIBDRKORMJRAJ-XCBNKYQSSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)c1cn(C)c(=O)n1C ZINC001375156193 887865949 /nfs/dbraw/zinc/86/59/49/887865949.db2.gz CKLHMSXZEGPVDH-VIFPVBQESA-N 0 3 270.333 -1.234 20 0 CAADHN O=C(Cn1ncnn1)NC[C@]1(O)CCN(CCO)C1 ZINC001376037879 887897156 /nfs/dbraw/zinc/89/71/56/887897156.db2.gz QLLBVWJHBNCWAQ-SNVBAGLBSA-N 0 3 270.293 -2.782 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cnns1 ZINC001376004413 887898559 /nfs/dbraw/zinc/89/85/59/887898559.db2.gz GDUIPOPJLWGEBG-JTQLQIEISA-N 0 3 272.330 -1.303 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@]1(C)CCN(CCO)C1 ZINC001375837946 887890746 /nfs/dbraw/zinc/89/07/46/887890746.db2.gz NZZVTMLSFZDCQH-SNVBAGLBSA-N 0 3 294.377 -2.387 20 0 CAADHN CC(C)N1CCN(CCNC(=O)Cn2ncnn2)CC1 ZINC001376079338 887902178 /nfs/dbraw/zinc/90/21/78/887902178.db2.gz IVNWHRIWAPULAG-UHFFFAOYSA-N 0 3 281.364 -1.185 20 0 CAADHN CCCN(C)CC(=O)NCC1(O)CN(C[C@@H](C)O)C1 ZINC001376266973 887918222 /nfs/dbraw/zinc/91/82/22/887918222.db2.gz GBDNUIMEEGJTCN-LLVKDONJSA-N 0 3 273.377 -1.128 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)c1nc[n-]n1 ZINC001376551966 887943668 /nfs/dbraw/zinc/94/36/68/887943668.db2.gz UBZWTBCHKMNVIY-MRVPVSSYSA-N 0 3 284.320 -2.037 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)N[C@H]1CCNC1=O ZINC001376695571 887947656 /nfs/dbraw/zinc/94/76/56/887947656.db2.gz QUOQOTULLCUNSY-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H](CNC(=O)c1cnc[n-]c1=O)[NH2+]CC(=O)N(C)C ZINC001376745411 887956814 /nfs/dbraw/zinc/95/68/14/887956814.db2.gz HAEDMHHKQQNNIJ-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCC(N)=O ZINC001376946487 887969466 /nfs/dbraw/zinc/96/94/66/887969466.db2.gz ZVYFVYYAOJYYCS-YUMQZZPRSA-N 0 3 271.321 -1.891 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)Cn1cnnn1 ZINC001377117197 887976900 /nfs/dbraw/zinc/97/69/00/887976900.db2.gz KUDDMDGYEMLVLJ-VIFPVBQESA-N 0 3 272.309 -2.272 20 0 CAADHN COC[C@H](C)NC(=O)NC(=O)CN[C@@H](C)CNC(C)=O ZINC001376681745 887949216 /nfs/dbraw/zinc/94/92/16/887949216.db2.gz OMLJJCOKEWWMRJ-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](CNC(=O)CS(C)(=O)=O)NCC(=O)N1CCC1 ZINC001376702977 887952966 /nfs/dbraw/zinc/95/29/66/887952966.db2.gz GSORGRNPRTUZGX-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H]1CCN(C[C@@H](C)O)C1 ZINC001378059210 888036406 /nfs/dbraw/zinc/03/64/06/888036406.db2.gz VNQVGXMOKPJUTH-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN O=C(Cn1cnnn1)NC1(CO)CCN(CCO)CC1 ZINC001377544958 888001777 /nfs/dbraw/zinc/00/17/77/888001777.db2.gz ZXIVYAJETMWYJX-UHFFFAOYSA-N 0 3 284.320 -2.392 20 0 CAADHN CCC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC(=O)NC ZINC001379171522 888093549 /nfs/dbraw/zinc/09/35/49/888093549.db2.gz VNFSWXHUMYYDFR-YUMQZZPRSA-N 0 3 274.321 -1.693 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001379173711 888095320 /nfs/dbraw/zinc/09/53/20/888095320.db2.gz AAMOCLVKEINPJQ-BDAKNGLRSA-N 0 3 274.321 -3.131 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ncc[nH]1)C(=O)N(C)C ZINC001379195083 888102427 /nfs/dbraw/zinc/10/24/27/888102427.db2.gz FBGPMXASMGWHCK-BDAKNGLRSA-N 0 3 283.332 -1.433 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001379203235 888104858 /nfs/dbraw/zinc/10/48/58/888104858.db2.gz BMCXBHGTCLQSFF-IUCAKERBSA-N 0 3 288.348 -2.286 20 0 CAADHN CC(C)[C@@H](F)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001379244198 888110016 /nfs/dbraw/zinc/11/00/16/888110016.db2.gz MHLVLBCPKVMHCF-IONNQARKSA-N 0 3 292.311 -1.758 20 0 CAADHN CC(C)[C@H](F)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001379244142 888111796 /nfs/dbraw/zinc/11/17/96/888111796.db2.gz MHLVLBCPKVMHCF-APPZFPTMSA-N 0 3 292.311 -1.758 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001379254240 888113536 /nfs/dbraw/zinc/11/35/36/888113536.db2.gz OOYIJYCWZPNJFZ-MRVPVSSYSA-N 0 3 284.320 -2.416 20 0 CAADHN Cc1nccn1CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001379290074 888117046 /nfs/dbraw/zinc/11/70/46/888117046.db2.gz QNCQVYNBLDDYFJ-WCBMZHEXSA-N 0 3 283.332 -1.868 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CN1CCCC1=O ZINC001379306517 888121333 /nfs/dbraw/zinc/12/13/33/888121333.db2.gz JQNUZWCNISATKO-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001379317459 888121395 /nfs/dbraw/zinc/12/13/95/888121395.db2.gz RZTLKJLOSMAXKO-MRVPVSSYSA-N 0 3 281.320 -1.850 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001379299426 888122421 /nfs/dbraw/zinc/12/24/21/888122421.db2.gz PRNPJUKNLXRARO-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1COCCO1)NCC(=O)NC ZINC001378216925 888042446 /nfs/dbraw/zinc/04/24/46/888042446.db2.gz AAUKUADTROZWHS-VHSXEESVSA-N 0 3 273.333 -1.368 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(N)=O ZINC001378258507 888046655 /nfs/dbraw/zinc/04/66/55/888046655.db2.gz RJFFECXQLZHYLD-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CN(C(=O)[C@H]1CNC(=O)N1)[C@H](CNCC(N)=O)C1CC1 ZINC001379027823 888079368 /nfs/dbraw/zinc/07/93/68/888079368.db2.gz UCQWNVBWDCTPTH-RKDXNWHRSA-N 0 3 283.332 -2.020 20 0 CAADHN CN(CCCO)CCN(C)C(=O)CN1CCOCC1=O ZINC001379063471 888080610 /nfs/dbraw/zinc/08/06/10/888080610.db2.gz KZXXZWFZRGHSMV-UHFFFAOYSA-N 0 3 287.360 -1.382 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1ncn(C)n1 ZINC001379122078 888081901 /nfs/dbraw/zinc/08/19/01/888081901.db2.gz ZJEZSTYZNREXRA-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1ccnn1)N[C@@H](C)C(N)=O ZINC001379103652 888081934 /nfs/dbraw/zinc/08/19/34/888081934.db2.gz WKJZFDWPGKPRRI-UWVGGRQHSA-N 0 3 282.348 -1.022 20 0 CAADHN CN(C)C(=O)CN(C)CCN(C)C(=O)Cc1ncn[nH]1 ZINC001379118632 888086439 /nfs/dbraw/zinc/08/64/39/888086439.db2.gz KZEQXBQRSLYSEG-UHFFFAOYSA-N 0 3 282.348 -1.174 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C[C@H]1CCCO1 ZINC001379489423 888154433 /nfs/dbraw/zinc/15/44/33/888154433.db2.gz QSRBQEJSFPNPLT-DTWKUNHWSA-N 0 3 286.332 -1.155 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1C ZINC001379584024 888165169 /nfs/dbraw/zinc/16/51/69/888165169.db2.gz FJEQDUFRCKABGM-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCCS1(=O)=O ZINC001379590623 888165990 /nfs/dbraw/zinc/16/59/90/888165990.db2.gz CCKWUTNYPJJAAF-JGVFFNPUSA-N 0 3 277.346 -1.857 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)OC)C1 ZINC001379589464 888166253 /nfs/dbraw/zinc/16/62/53/888166253.db2.gz WPWDQYXLJJJJAK-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001379645414 888167697 /nfs/dbraw/zinc/16/76/97/888167697.db2.gz UKUBAOICCHAHID-UWVGGRQHSA-N 0 3 291.348 -1.214 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)Cn1cncn1 ZINC001379592551 888167706 /nfs/dbraw/zinc/16/77/06/888167706.db2.gz DDDBJTBYKQUURC-JTQLQIEISA-N 0 3 282.348 -1.103 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CNC(=O)OC)C1 ZINC001379589454 888168051 /nfs/dbraw/zinc/16/80/51/888168051.db2.gz WPWDQYXLJJJJAK-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)CCNC(N)=O)n[nH]1 ZINC001379599101 888168258 /nfs/dbraw/zinc/16/82/58/888168258.db2.gz QCYQUXARZADUTQ-ZETCQYMHSA-N 0 3 283.336 -1.234 20 0 CAADHN CC(C)(F)C(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001379331068 888122438 /nfs/dbraw/zinc/12/24/38/888122438.db2.gz GLYPMQULGJGXOE-VIFPVBQESA-N 0 3 290.339 -1.174 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001379299430 888122797 /nfs/dbraw/zinc/12/27/97/888122797.db2.gz PRNPJUKNLXRARO-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)Cn1ncnn1)C(N)=O ZINC001380763331 888227386 /nfs/dbraw/zinc/22/73/86/888227386.db2.gz IEZXISRVSOLFCC-MRVPVSSYSA-N 0 3 285.308 -3.043 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001380837981 888231223 /nfs/dbraw/zinc/23/12/23/888231223.db2.gz ITRMVZQTIBYJOF-VHSXEESVSA-N 0 3 284.360 -1.046 20 0 CAADHN CNC(=O)CN(C)C[C@H](C)NC(=O)CCc1cnn[nH]1 ZINC001379754391 888171922 /nfs/dbraw/zinc/17/19/22/888171922.db2.gz VPOGTAMLDJIJIU-VIFPVBQESA-N 0 3 282.348 -1.080 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)co1 ZINC001379771048 888173697 /nfs/dbraw/zinc/17/36/97/888173697.db2.gz GDNJWLBXJQEOMO-IONNQARKSA-N 0 3 284.316 -1.121 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](OC)C(C)C ZINC001379839253 888175401 /nfs/dbraw/zinc/17/54/01/888175401.db2.gz MQEDKBKPVQNPTE-ZYHUDNBSSA-N 0 3 289.376 -1.188 20 0 CAADHN C[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1NCC(N)=O ZINC001381094815 888242714 /nfs/dbraw/zinc/24/27/14/888242714.db2.gz CMEXXHPERDHWKG-WCBMZHEXSA-N 0 3 282.344 -1.566 20 0 CAADHN Cc1nn(CC(=O)NC[C@@H](C)N(C)CCO)c(=O)n1C ZINC001381618341 888257099 /nfs/dbraw/zinc/25/70/99/888257099.db2.gz CXOMRFKKAZWKQJ-SECBINFHSA-N 0 3 285.348 -1.681 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001382064897 888273222 /nfs/dbraw/zinc/27/32/22/888273222.db2.gz HYGQUCILVKHCRC-BDAKNGLRSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)NCC(N)=O ZINC001382100814 888274544 /nfs/dbraw/zinc/27/45/44/888274544.db2.gz NPNBIGFCFIBNIS-SNVBAGLBSA-N 0 3 299.375 -2.318 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NCC(N)=O ZINC001382054413 888274574 /nfs/dbraw/zinc/27/45/74/888274574.db2.gz IVNJCDVMEFSTLM-RKDXNWHRSA-N 0 3 271.317 -1.139 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001382064993 888276001 /nfs/dbraw/zinc/27/60/01/888276001.db2.gz HYGQUCILVKHCRC-DTWKUNHWSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)NCC(N)=O ZINC001382091424 888276416 /nfs/dbraw/zinc/27/64/16/888276416.db2.gz UQVRWYAQBXEDDB-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN COc1nn(C)cc1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001382114874 888278971 /nfs/dbraw/zinc/27/89/71/888278971.db2.gz CHUHFOMJDCXFFJ-QMMMGPOBSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@H](CN(C)C(=O)CCNC(N)=O)N[C@@H]1CCN(C)C1=O ZINC001382158520 888279025 /nfs/dbraw/zinc/27/90/25/888279025.db2.gz JAJPJXHJPUCXMJ-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN CCCC[C@@H](CNCC(N)=O)NC(=O)[C@H]1COC(=O)N1 ZINC001381742496 888264481 /nfs/dbraw/zinc/26/44/81/888264481.db2.gz HSLAARLUKJUQMF-DTWKUNHWSA-N 0 3 286.332 -1.155 20 0 CAADHN CN(C)C(=O)CN[C@H](CO)CNC(=O)[C@H]1CCCN1C ZINC001382184208 888289851 /nfs/dbraw/zinc/28/98/51/888289851.db2.gz NJGHVLHDYPIHFT-WDEREUQCSA-N 0 3 286.376 -1.765 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@](C)(O)C1CC1 ZINC001382391989 888341871 /nfs/dbraw/zinc/34/18/71/888341871.db2.gz WKCWHZIVWYOIAM-MFKMUULPSA-N 0 3 287.360 -1.568 20 0 CAADHN C[C@@H](N[C@H]1CN(C(=O)CCNC(N)=O)CC1(C)C)C(N)=O ZINC001382382668 888345219 /nfs/dbraw/zinc/34/52/19/888345219.db2.gz YSMDUAZNLCFDNP-BDAKNGLRSA-N 0 3 299.375 -1.255 20 0 CAADHN C[C@@H](C(=O)NC[C@H]1C[C@@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001388680451 888510009 /nfs/dbraw/zinc/51/00/09/888510009.db2.gz IEQPFIAJEBEJHH-XHNCKOQMSA-N 0 3 291.373 -1.611 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)CNC(C)=O)[C@H]1C ZINC001388795620 888511792 /nfs/dbraw/zinc/51/17/92/888511792.db2.gz QLSQWAOMJOVIPT-JLLWLGSASA-N 0 3 287.360 -1.291 20 0 CAADHN Cc1c(C(=O)NC[C@H](NCC(N)=O)C2CC2)nnn1C ZINC001389587710 888552532 /nfs/dbraw/zinc/55/25/32/888552532.db2.gz DBOSGQDBEVBFTO-VIFPVBQESA-N 0 3 280.332 -1.293 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@H](C)C(=O)N(C)C ZINC001390298335 888573511 /nfs/dbraw/zinc/57/35/11/888573511.db2.gz SRQUWEVGVAKSFZ-RKDXNWHRSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C1CC1)N[C@@H]1CCNC1=O ZINC001390306292 888574119 /nfs/dbraw/zinc/57/41/19/888574119.db2.gz HKZBLYCDEYWJTN-PSASIEDQSA-N 0 3 282.344 -1.505 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)C1CN(C(C)=O)C1 ZINC001390351297 888576676 /nfs/dbraw/zinc/57/66/76/888576676.db2.gz NZFWYZAQPPQABT-DTWKUNHWSA-N 0 3 284.360 -1.307 20 0 CAADHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)NCC(N)=O)C1 ZINC001390504588 888585666 /nfs/dbraw/zinc/58/56/66/888585666.db2.gz FSJMCRUPRDNTCT-NOZJJQNGSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)NCC(=O)N(C)C ZINC001390398436 888581429 /nfs/dbraw/zinc/58/14/29/888581429.db2.gz OPUIWJLCFWUFPA-IUCAKERBSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001390851055 888603980 /nfs/dbraw/zinc/60/39/80/888603980.db2.gz DAQWLLUNALJABA-SECBINFHSA-N 0 3 281.378 -1.693 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001390861806 888605504 /nfs/dbraw/zinc/60/55/04/888605504.db2.gz ROGIYSHMOXSPCO-VHSXEESVSA-N 0 3 293.389 -1.239 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCCC(=O)N1C)C(N)=O ZINC001391231155 888618166 /nfs/dbraw/zinc/61/81/66/888618166.db2.gz WATXHVBECJXJIV-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCN1CCOCC1)C(N)=O ZINC001391214133 888618508 /nfs/dbraw/zinc/61/85/08/888618508.db2.gz OGFBZBLNPAMVKN-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN CC[C@H](NCCN(C)C(=O)C[C@@H](C)NC(N)=O)C(N)=O ZINC001391210587 888618832 /nfs/dbraw/zinc/61/88/32/888618832.db2.gz QNVDKMOXWPPUBL-BDAKNGLRSA-N 0 3 287.364 -1.255 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1CCNC(=O)C1)C(N)=O ZINC001391205246 888619293 /nfs/dbraw/zinc/61/92/93/888619293.db2.gz AWFMIWHKNVGOSI-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1 ZINC001391584596 888640370 /nfs/dbraw/zinc/64/03/70/888640370.db2.gz AAVBQNNJIQJTAC-MXWKQRLJSA-N 0 3 287.360 -1.304 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001391575439 888641040 /nfs/dbraw/zinc/64/10/40/888641040.db2.gz BRGQWEUUTQMAJH-GMTAPVOTSA-N 0 3 285.344 -1.537 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)NCC(N)=O ZINC001391741844 888642908 /nfs/dbraw/zinc/64/29/08/888642908.db2.gz OXLSWVXPDBQICS-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)NCC(N)=O ZINC001391741843 888642947 /nfs/dbraw/zinc/64/29/47/888642947.db2.gz OXLSWVXPDBQICS-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](CNC(=O)CS(=O)(=O)NC)NCC(=O)NC ZINC001391749669 888642958 /nfs/dbraw/zinc/64/29/58/888642958.db2.gz KVRZUWUBTCCKDT-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)N[C@@H](C)C(=O)NC ZINC001391688338 888644356 /nfs/dbraw/zinc/64/43/56/888644356.db2.gz DRWLDQBCPMFGKU-IUCAKERBSA-N 0 3 283.336 -1.708 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1COCCO1 ZINC001392040389 888658976 /nfs/dbraw/zinc/65/89/76/888658976.db2.gz GZBHMQIKIPQASA-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)COC ZINC001392026560 888659435 /nfs/dbraw/zinc/65/94/35/888659435.db2.gz NSOOKRHFMQVOLY-MRVPVSSYSA-N 0 3 274.321 -1.475 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001392083166 888662563 /nfs/dbraw/zinc/66/25/63/888662563.db2.gz HHFBUADPKBXCEH-ZETCQYMHSA-N 0 3 282.300 -1.086 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001392070612 888663437 /nfs/dbraw/zinc/66/34/37/888663437.db2.gz ATHUSBSKEGUZEC-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001392136598 888665125 /nfs/dbraw/zinc/66/51/25/888665125.db2.gz FFEQZSYMGQNIOW-GXSJLCMTSA-N 0 3 284.360 -1.081 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001392356407 888680540 /nfs/dbraw/zinc/68/05/40/888680540.db2.gz GWFYUXFTIRQYNG-WPRPVWTQSA-N 0 3 273.333 -1.633 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001392363068 888683588 /nfs/dbraw/zinc/68/35/88/888683588.db2.gz GFVOVUHNSBKYTK-MRVPVSSYSA-N 0 3 282.300 -1.787 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)CC(C)(C)O)C(N)=O ZINC001392366432 888683936 /nfs/dbraw/zinc/68/39/36/888683936.db2.gz GLXBNTMSQNFFCZ-DTWKUNHWSA-N 0 3 275.349 -1.522 20 0 CAADHN CC[C@@H](NC[C@@H](C)N(C)C(=O)CCNC(N)=O)C(N)=O ZINC001392121897 888666919 /nfs/dbraw/zinc/66/69/19/888666919.db2.gz AAQMCPDOMQKKEV-RKDXNWHRSA-N 0 3 287.364 -1.255 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(N)=O ZINC001392208235 888670890 /nfs/dbraw/zinc/67/08/90/888670890.db2.gz CGBVKYCEOULPPC-RKDXNWHRSA-N 0 3 270.333 -1.519 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccon1)C(N)=O ZINC001392353280 888676559 /nfs/dbraw/zinc/67/65/59/888676559.db2.gz FLXQRBUHLSFTPE-HTQZYQBOSA-N 0 3 270.289 -1.381 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C1CCCC1 ZINC001392341762 888677080 /nfs/dbraw/zinc/67/70/80/888677080.db2.gz MTJNDWZKLHVFKH-SECBINFHSA-N 0 3 286.332 -1.562 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)COC1CCCC1)C(N)=O ZINC001392355590 888679229 /nfs/dbraw/zinc/67/92/29/888679229.db2.gz LOPMWNIRJXAKGD-NXEZZACHSA-N 0 3 287.360 -1.114 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CN1CCCC1=O)C(N)=O ZINC001392356680 888679258 /nfs/dbraw/zinc/67/92/58/888679258.db2.gz ZMCPOKIVKRKEJS-DTWKUNHWSA-N 0 3 286.332 -2.451 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)COC1CCCC1)C(N)=O ZINC001392355606 888679649 /nfs/dbraw/zinc/67/96/49/888679649.db2.gz LOPMWNIRJXAKGD-ZJUUUORDSA-N 0 3 287.360 -1.114 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](OC)C1CCC1 ZINC001392386392 888691071 /nfs/dbraw/zinc/69/10/71/888691071.db2.gz FWXRKGPIXWUXSF-CMPLNLGQSA-N 0 3 287.360 -1.386 20 0 CAADHN CCc1oncc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001392413163 888700372 /nfs/dbraw/zinc/70/03/72/888700372.db2.gz NVJNTVSTRNWMII-SFYZADRCSA-N 0 3 284.316 -1.209 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(OC)o1 ZINC001392409107 888701174 /nfs/dbraw/zinc/70/11/74/888701174.db2.gz CIANWAOCVIDCIN-QMMMGPOBSA-N 0 3 285.300 -1.286 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001392424560 888706440 /nfs/dbraw/zinc/70/64/40/888706440.db2.gz SVJXSBGIWPNMSD-BDAKNGLRSA-N 0 3 286.332 -2.580 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001392374721 888686891 /nfs/dbraw/zinc/68/68/91/888686891.db2.gz DQAFRHWDZXICLW-IUCAKERBSA-N 0 3 286.332 -2.723 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)ns1 ZINC001392370423 888687838 /nfs/dbraw/zinc/68/78/38/888687838.db2.gz XAMQTJXSSVHDEA-ZETCQYMHSA-N 0 3 272.330 -1.383 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001392367561 888687936 /nfs/dbraw/zinc/68/79/36/888687936.db2.gz DYDFJRXFUMZRQD-ZETCQYMHSA-N 0 3 270.293 -2.759 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CNCC(=O)N(C)C1CC1 ZINC001392461850 888711070 /nfs/dbraw/zinc/71/10/70/888711070.db2.gz WORACXVEZSHUIR-SECBINFHSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CN1CCOCC1)C(N)=O ZINC001392470732 888711115 /nfs/dbraw/zinc/71/11/15/888711115.db2.gz GNJYIMKGVNQMNW-GHMZBOCLSA-N 0 3 286.376 -1.323 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CCNC(=O)NC ZINC001392474878 888712371 /nfs/dbraw/zinc/71/23/71/888712371.db2.gz NVYGAMMOVZILRB-SECBINFHSA-N 0 3 287.364 -1.464 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001392526322 888718249 /nfs/dbraw/zinc/71/82/49/888718249.db2.gz OGXKHNHKGSPJTE-VGMNWLOBSA-N 0 3 270.333 -1.377 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CS(C)(=O)=O ZINC001392547927 888719957 /nfs/dbraw/zinc/71/99/57/888719957.db2.gz KAAUBQNPSIZQEV-JGVFFNPUSA-N 0 3 279.362 -1.740 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C1CCOCC1 ZINC001392538504 888720139 /nfs/dbraw/zinc/72/01/39/888720139.db2.gz GFTBMZAOMXLMLI-QMMMGPOBSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN1CCCNC1=O ZINC001392570228 888724666 /nfs/dbraw/zinc/72/46/66/888724666.db2.gz FPFRJSDZJLOMPN-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)Cn1cncn1 ZINC001392612664 888725980 /nfs/dbraw/zinc/72/59/80/888725980.db2.gz IAFGLHZQPNYMDD-UWVGGRQHSA-N 0 3 282.348 -1.151 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H](NC(C)=O)C(C)C ZINC001392609571 888729046 /nfs/dbraw/zinc/72/90/46/888729046.db2.gz ZWOXOWKUOYEIJM-JOYOIKCWSA-N 0 3 286.376 -1.013 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)CCNC(N)=O ZINC001393049811 888754166 /nfs/dbraw/zinc/75/41/66/888754166.db2.gz CCLWKQCUVIILMP-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@@H](O)CN1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001393271203 888765870 /nfs/dbraw/zinc/76/58/70/888765870.db2.gz AFWJWQDXQLECPY-LDYMZIIASA-N 0 3 270.289 -1.383 20 0 CAADHN C[C@H](O)CN1CC[C@@](O)(CNC(=O)c2cnon2)C1 ZINC001393271184 888765904 /nfs/dbraw/zinc/76/59/04/888765904.db2.gz AFWJWQDXQLECPY-GZMMTYOYSA-N 0 3 270.289 -1.383 20 0 CAADHN CC(=O)N1CCO[C@H](CN[C@H](C)C(=O)NC(N)=O)C1 ZINC001393572505 888796643 /nfs/dbraw/zinc/79/66/43/888796643.db2.gz UFJNYTBNNOKHJE-VXNVDRBHSA-N 0 3 272.305 -1.593 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CCCO2)CCO1 ZINC001393589977 888799514 /nfs/dbraw/zinc/79/95/14/888799514.db2.gz XYTLAJYFHQMTNM-QWRGUYRKSA-N 0 3 285.344 -1.142 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)CCNC(N)=O ZINC001394279941 888826078 /nfs/dbraw/zinc/82/60/78/888826078.db2.gz LWOOIRQYUSFWBA-SECBINFHSA-N 0 3 272.349 -1.136 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)NCC(=O)N(C)C)C1 ZINC001394470366 888830590 /nfs/dbraw/zinc/83/05/90/888830590.db2.gz VCHBLXWGNAZIEN-SNVBAGLBSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001394482586 888831856 /nfs/dbraw/zinc/83/18/56/888831856.db2.gz GRYVWMZKVMWVJV-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001393934016 888811033 /nfs/dbraw/zinc/81/10/33/888811033.db2.gz YTSHDNJAQRTGOZ-IUCAKERBSA-N 0 3 283.336 -1.756 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001394067688 888814988 /nfs/dbraw/zinc/81/49/88/888814988.db2.gz PXWQNACUEFGXDE-VHSXEESVSA-N 0 3 285.348 -1.128 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(CC(N)=O)nn1)NCCF ZINC001394567624 888832963 /nfs/dbraw/zinc/83/29/63/888832963.db2.gz QDACTPSTFZOHTG-QMMMGPOBSA-N 0 3 286.311 -1.217 20 0 CAADHN CO[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)C1CC1 ZINC001394731989 888886877 /nfs/dbraw/zinc/88/68/77/888886877.db2.gz BEEGLPYPPUGACJ-KOLCDFICSA-N 0 3 273.333 -1.694 20 0 CAADHN CO[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1CC1 ZINC001394731988 888888258 /nfs/dbraw/zinc/88/82/58/888888258.db2.gz BEEGLPYPPUGACJ-GXSJLCMTSA-N 0 3 273.333 -1.694 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)cn1 ZINC001394735701 888888291 /nfs/dbraw/zinc/88/82/91/888888291.db2.gz OMRVQHYQQYGEBZ-JTQLQIEISA-N 0 3 283.332 -1.589 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1oncc1C ZINC001394760760 888890769 /nfs/dbraw/zinc/89/07/69/888890769.db2.gz XOLSRZUPJHNIPM-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001394682624 888877346 /nfs/dbraw/zinc/87/73/46/888877346.db2.gz ZZPAWKPEOMGUTO-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](NCC(=O)N(C)C)C[C@H]1C ZINC001394673531 888879989 /nfs/dbraw/zinc/87/99/89/888879989.db2.gz LAGONCNHZKRJSH-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001394730414 888881422 /nfs/dbraw/zinc/88/14/22/888881422.db2.gz LWJVKUOHNOTYFF-DTWKUNHWSA-N 0 3 286.332 -2.580 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001394730467 888882101 /nfs/dbraw/zinc/88/21/01/888882101.db2.gz VWZVUWGOOCBXAP-SECBINFHSA-N 0 3 283.332 -1.432 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)on1 ZINC001394721728 888882546 /nfs/dbraw/zinc/88/25/46/888882546.db2.gz QBGYJWQJWSXUSA-QMMMGPOBSA-N 0 3 270.289 -1.509 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001394772685 888895155 /nfs/dbraw/zinc/89/51/55/888895155.db2.gz USHKKHKBERYLKE-QWRGUYRKSA-N 0 3 288.344 -1.317 20 0 CAADHN COCC(=O)N1C[C@@H](O)[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001396378336 888943692 /nfs/dbraw/zinc/94/36/92/888943692.db2.gz GPBCTWKTGXFIFV-GHMZBOCLSA-N 0 3 287.360 -1.339 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001398435081 888994773 /nfs/dbraw/zinc/99/47/73/888994773.db2.gz ZMFXCZQCEILYAB-NXEZZACHSA-N 0 3 282.344 -1.518 20 0 CAADHN CN(CC(=O)N1CC[C@H](NCC(N)=O)C1)C(=O)C1CC1 ZINC001398518657 888996899 /nfs/dbraw/zinc/99/68/99/888996899.db2.gz GDPCYIMZJSYDSP-JTQLQIEISA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)NCCS(C)(=O)=O ZINC001399098534 889029735 /nfs/dbraw/zinc/02/97/35/889029735.db2.gz DPVNYBQGEIFAMF-SECBINFHSA-N 0 3 289.361 -1.583 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCNC(N)=O)C(=O)NC1CC1 ZINC001399122440 889029793 /nfs/dbraw/zinc/02/97/93/889029793.db2.gz FEVXHUJWBYXCOE-DTWKUNHWSA-N 0 3 299.375 -1.194 20 0 CAADHN CC[C@@H](OC)C(=O)NC[C@@H](C)NCC(=O)NC(=O)NC ZINC001398882344 889018760 /nfs/dbraw/zinc/01/87/60/889018760.db2.gz IBCXZMCXOZUKOO-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001398892809 889019135 /nfs/dbraw/zinc/01/91/35/889019135.db2.gz OZQGOXBGLLOAMI-WCBMZHEXSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)CCCC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001398922121 889023634 /nfs/dbraw/zinc/02/36/34/889023634.db2.gz WGRULVVSVKFRFS-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001398964775 889024262 /nfs/dbraw/zinc/02/42/62/889024262.db2.gz ZYPTVTFCWWPPJI-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCCS(C)(=O)=O ZINC001399033365 889025590 /nfs/dbraw/zinc/02/55/90/889025590.db2.gz NBXIGGKKJKSMBZ-YUMQZZPRSA-N 0 3 292.361 -2.193 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001399047205 889028211 /nfs/dbraw/zinc/02/82/11/889028211.db2.gz ZGUZHOVSXSSDJC-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001399122042 889031698 /nfs/dbraw/zinc/03/16/98/889031698.db2.gz TZJKGKWYPFPZEF-RQJHMYQMSA-N 0 3 280.350 -2.496 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccc(OC)nn1 ZINC001399105560 889032297 /nfs/dbraw/zinc/03/22/97/889032297.db2.gz PRLXEDASXRFQGA-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CCCC(=O)N1 ZINC001399501831 889046791 /nfs/dbraw/zinc/04/67/91/889046791.db2.gz AUMBGCXUQIDYMK-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CCN(CCNC(=O)CN1CCNC(=O)C1)CCOC ZINC001399734139 889060237 /nfs/dbraw/zinc/06/02/37/889060237.db2.gz KEZTVJNSFOJLFY-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@H]1CCNC1=O)C(N)=O ZINC001400059808 889088310 /nfs/dbraw/zinc/08/83/10/889088310.db2.gz RMRNCXDSKWRLLK-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001400685628 889115613 /nfs/dbraw/zinc/11/56/13/889115613.db2.gz HUACASKWDKLYKW-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001400588063 889115648 /nfs/dbraw/zinc/11/56/48/889115648.db2.gz CBYUXGVXQHPKFL-QJPTWQEYSA-N 0 3 288.344 -1.400 20 0 CAADHN CC[C@@H](CNC(=O)C(C)(C)S(C)(=O)=O)NCC(N)=O ZINC001400876174 889121070 /nfs/dbraw/zinc/12/10/70/889121070.db2.gz ZJZMGBGSLHMMOS-QMMMGPOBSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001400834364 889121366 /nfs/dbraw/zinc/12/13/66/889121366.db2.gz SECJBWHZSNJRSU-SFYZADRCSA-N 0 3 271.321 -2.020 20 0 CAADHN CO[C@@H](C)C(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O ZINC001401080056 889123911 /nfs/dbraw/zinc/12/39/11/889123911.db2.gz BIDZGJUNZWCFAA-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1nnc[n-]1 ZINC001401141999 889127947 /nfs/dbraw/zinc/12/79/47/889127947.db2.gz XRRSNCBLBDMQGA-BDAKNGLRSA-N 0 3 282.348 -1.176 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1nnc[n-]1 ZINC001401142000 889128647 /nfs/dbraw/zinc/12/86/47/889128647.db2.gz XRRSNCBLBDMQGA-DTWKUNHWSA-N 0 3 282.348 -1.176 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CNC(=O)C1CC1 ZINC001401198563 889130645 /nfs/dbraw/zinc/13/06/45/889130645.db2.gz FIRUDAVXPMMHAM-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)CCOC ZINC001401193024 889130677 /nfs/dbraw/zinc/13/06/77/889130677.db2.gz BIPZMTWIBUTFMR-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001401229799 889132397 /nfs/dbraw/zinc/13/23/97/889132397.db2.gz WVXXPHAQQSYCOS-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)C(C)C ZINC001401343171 889134664 /nfs/dbraw/zinc/13/46/64/889134664.db2.gz XJQOLVQLTAEWLV-NXEZZACHSA-N 0 3 299.375 -1.514 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H](C)S(C)(=O)=O)NCC(N)=O ZINC001401326712 889135344 /nfs/dbraw/zinc/13/53/44/889135344.db2.gz CBGHXWPPBTZCGP-RKDXNWHRSA-N 0 3 293.389 -1.365 20 0 CAADHN Cc1cnc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001401491220 889140124 /nfs/dbraw/zinc/14/01/24/889140124.db2.gz MRNSQCAODFFPFB-BDAKNGLRSA-N 0 3 281.316 -1.661 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001401491084 889140861 /nfs/dbraw/zinc/14/08/61/889140861.db2.gz LZIHJPLBIQHZKF-SECBINFHSA-N 0 3 287.316 -1.923 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnns1)C(N)=O ZINC001401480047 889140885 /nfs/dbraw/zinc/14/08/85/889140885.db2.gz ASPRXBDYDJXRLX-RITPCOANSA-N 0 3 273.318 -1.908 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](O)CNC(=O)C1CC1 ZINC001401496143 889142313 /nfs/dbraw/zinc/14/23/13/889142313.db2.gz WXTFWERIVRIOHS-CBAPKCEASA-N 0 3 286.332 -1.693 20 0 CAADHN CCc1ocnc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001401497164 889142342 /nfs/dbraw/zinc/14/23/42/889142342.db2.gz ALUXFFZFUVSPGZ-ZETCQYMHSA-N 0 3 270.289 -1.597 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cncc(F)c1)C(N)=O ZINC001401520434 889149554 /nfs/dbraw/zinc/14/95/54/889149554.db2.gz RQQXBRYVHFWCJG-GMSGAONNSA-N 0 3 284.291 -1.225 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cncc(F)c1)C(N)=O ZINC001401520540 889151020 /nfs/dbraw/zinc/15/10/20/889151020.db2.gz RQQXBRYVHFWCJG-XCBNKYQSSA-N 0 3 284.291 -1.225 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccon1 ZINC001401518235 889151039 /nfs/dbraw/zinc/15/10/39/889151039.db2.gz XRBDTHSOSICRHK-SNVBAGLBSA-N 0 3 284.316 -1.580 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1n[nH]cc1C)C(N)=O ZINC001401511544 889151497 /nfs/dbraw/zinc/15/14/97/889151497.db2.gz UDSCOKWYTAERPO-RKDXNWHRSA-N 0 3 283.332 -1.338 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC1(F)F ZINC001401537907 889153293 /nfs/dbraw/zinc/15/32/93/889153293.db2.gz JAMCXQCMQGDCCI-HTQZYQBOSA-N 0 3 279.287 -1.156 20 0 CAADHN CCc1nc(C)c(C(=O)NC[C@H](O)CNCC(N)=O)o1 ZINC001401558046 889155816 /nfs/dbraw/zinc/15/58/16/889155816.db2.gz CYDGZOCINBYOKZ-MRVPVSSYSA-N 0 3 284.316 -1.289 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001401558186 889157525 /nfs/dbraw/zinc/15/75/25/889157525.db2.gz FJGDZPMRMSQBSV-SFYZADRCSA-N 0 3 284.320 -2.370 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccnnc1)C(N)=O ZINC001401555007 889157540 /nfs/dbraw/zinc/15/75/40/889157540.db2.gz JWROWCGUWBKCBG-VHSXEESVSA-N 0 3 281.316 -1.579 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCC(=O)N1C ZINC001401644370 889173610 /nfs/dbraw/zinc/17/36/10/889173610.db2.gz RXNXAFAIGGHCTN-NXEZZACHSA-N 0 3 284.360 -1.210 20 0 CAADHN CC(=O)N[C@H](C)CNCC(=O)N1CCN(C(C)=O)CC1 ZINC001401601064 889167009 /nfs/dbraw/zinc/16/70/09/889167009.db2.gz JBJDTZVFZPPWOQ-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CNCC(N)=O)c(Cl)n1 ZINC001401627607 889170045 /nfs/dbraw/zinc/17/00/45/889170045.db2.gz JIXIYSZFRDNXBA-ZCFIWIBFSA-N 0 3 289.723 -1.761 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001401627437 889170092 /nfs/dbraw/zinc/17/00/92/889170092.db2.gz YBNWFWDEZHSWKT-BDAKNGLRSA-N 0 3 288.348 -1.941 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001401730411 889183718 /nfs/dbraw/zinc/18/37/18/889183718.db2.gz VFOXZGLNKYVXGC-ZYHUDNBSSA-N 0 3 289.376 -1.092 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)CN(C)CCOC ZINC001401795876 889185472 /nfs/dbraw/zinc/18/54/72/889185472.db2.gz BHFYNMFOVUYMOZ-SECBINFHSA-N 0 3 281.378 -1.382 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCNC(N)=O)C(=O)NC1CC1 ZINC001401720115 889179144 /nfs/dbraw/zinc/17/91/44/889179144.db2.gz JSQJOZPIAICBKT-DTWKUNHWSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C(C)(C)S(C)(=O)=O ZINC001401706525 889179609 /nfs/dbraw/zinc/17/96/09/889179609.db2.gz RQIFZKGDESMOIX-ZETCQYMHSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001402263345 889211384 /nfs/dbraw/zinc/21/13/84/889211384.db2.gz JBDGTLLCTCZGSD-KWQFWETISA-N 0 3 274.321 -2.412 20 0 CAADHN Cc1n[nH]nc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001402473162 889242634 /nfs/dbraw/zinc/24/26/34/889242634.db2.gz DPBNYRGSNGLDDF-MRVPVSSYSA-N 0 3 284.320 -1.989 20 0 CAADHN CC[C@H](C(=O)NCC1(O)CN(C[C@H](C)O)C1)N(C)C ZINC001402330501 889227949 /nfs/dbraw/zinc/22/79/49/889227949.db2.gz APGGHOBEWCLZOJ-WDEREUQCSA-N 0 3 273.377 -1.130 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCn1ccnn1 ZINC001402868624 889266928 /nfs/dbraw/zinc/26/69/28/889266928.db2.gz NOIJFIPRPSFTSP-NXEZZACHSA-N 0 3 282.348 -1.103 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001402869265 889266948 /nfs/dbraw/zinc/26/69/48/889266948.db2.gz KFVIFIOQQWMCSZ-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)N[C@H](C)C(N)=O ZINC001402900014 889270225 /nfs/dbraw/zinc/27/02/25/889270225.db2.gz YGCRFNNOPSYPGH-HTQZYQBOSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCNC1=O)N[C@@H](C)C(N)=O ZINC001402929310 889270260 /nfs/dbraw/zinc/27/02/60/889270260.db2.gz NHCYTXJLNJKFNA-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001402975582 889275721 /nfs/dbraw/zinc/27/57/21/889275721.db2.gz GMEIBGIEGPUMSI-RKDXNWHRSA-N 0 3 285.348 -1.713 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001403049967 889278900 /nfs/dbraw/zinc/27/89/00/889278900.db2.gz POPNBCSNAQLWAM-QMMMGPOBSA-N 0 3 283.332 -1.030 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001403061310 889283173 /nfs/dbraw/zinc/28/31/73/889283173.db2.gz TXYJUYYXFQHCBL-RQJHMYQMSA-N 0 3 285.304 -2.575 20 0 CAADHN COCC(=O)N1CCO[C@H]([C@H](C)NCC(=O)N(C)C)C1 ZINC001403401588 889301206 /nfs/dbraw/zinc/30/12/06/889301206.db2.gz AILUFQHMKFGVMK-QWRGUYRKSA-N 0 3 287.360 -1.074 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@H](C)N[C@H](C)C(N)=O ZINC001403538156 889310517 /nfs/dbraw/zinc/31/05/17/889310517.db2.gz HGSDTJUTCIWYJO-JGVFFNPUSA-N 0 3 274.321 -1.347 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001403513424 889305879 /nfs/dbraw/zinc/30/58/79/889305879.db2.gz JYLKEALTLOUFSU-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001403498429 889305963 /nfs/dbraw/zinc/30/59/63/889305963.db2.gz MCLGEJMAQMBEOU-JTQLQIEISA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)Cn1ncn(C)c1=O ZINC001403585642 889317449 /nfs/dbraw/zinc/31/74/49/889317449.db2.gz GWNHSGOBBUHMJO-SECBINFHSA-N 0 3 271.321 -1.989 20 0 CAADHN CC[C@@H](F)C(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001403710204 889358302 /nfs/dbraw/zinc/35/83/02/889358302.db2.gz YCLORFPRUWKMST-VHSXEESVSA-N 0 3 290.339 -1.174 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001403866315 889378549 /nfs/dbraw/zinc/37/85/49/889378549.db2.gz ITKYLYIJTQGNHJ-SECBINFHSA-N 0 3 281.316 -1.755 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@@H]1CCCO1 ZINC001403830351 889368880 /nfs/dbraw/zinc/36/88/80/889368880.db2.gz MOJZJNDMXXQZEF-ZJUUUORDSA-N 0 3 273.333 -1.550 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cc1ccon1)C(N)=O ZINC001403821446 889369418 /nfs/dbraw/zinc/36/94/18/889369418.db2.gz DVYISVLGFHQPQO-SCZZXKLOSA-N 0 3 284.316 -1.500 20 0 CAADHN CC[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001403812056 889371703 /nfs/dbraw/zinc/37/17/03/889371703.db2.gz IICLKTCNEGENRQ-RKDXNWHRSA-N 0 3 288.348 -1.364 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccn(C)c1 ZINC001403845124 889377004 /nfs/dbraw/zinc/37/70/04/889377004.db2.gz VMQSNUAXUMOPHM-LLVKDONJSA-N 0 3 282.344 -1.206 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1 ZINC001403866557 889380510 /nfs/dbraw/zinc/38/05/10/889380510.db2.gz DNGOMLDWKMADNP-SNVBAGLBSA-N 0 3 283.332 -1.893 20 0 CAADHN CN(CC(N)=O)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCN1C ZINC001403898366 889386792 /nfs/dbraw/zinc/38/67/92/889386792.db2.gz QLANZDYUHAOWSZ-MNOVXSKESA-N 0 3 286.376 -1.683 20 0 CAADHN CN(CC(N)=O)C[C@H](O)CN(C)C(=O)[C@@H]1CCCN1C ZINC001403898370 889387095 /nfs/dbraw/zinc/38/70/95/889387095.db2.gz QLANZDYUHAOWSZ-QWRGUYRKSA-N 0 3 286.376 -1.683 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001403887805 889387419 /nfs/dbraw/zinc/38/74/19/889387419.db2.gz YJMRNSYSGPOJFE-SECBINFHSA-N 0 3 272.309 -2.584 20 0 CAADHN C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001403909558 889388053 /nfs/dbraw/zinc/38/80/53/889388053.db2.gz XQNWBPRHSMGZDL-BDAKNGLRSA-N 0 3 271.321 -1.450 20 0 CAADHN C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001403909558 889388062 /nfs/dbraw/zinc/38/80/62/889388062.db2.gz XQNWBPRHSMGZDL-BDAKNGLRSA-N 0 3 271.321 -1.450 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CNC(C)=O)C(C)(C)C ZINC001403938971 889389039 /nfs/dbraw/zinc/38/90/39/889389039.db2.gz LZYFUWAPWFBBRJ-JTQLQIEISA-N 0 3 286.376 -1.011 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)[C@H]1CNC(=O)N1 ZINC001403981507 889393494 /nfs/dbraw/zinc/39/34/94/889393494.db2.gz FXWLXXRCYBHQRL-SFYZADRCSA-N 0 3 285.348 -1.726 20 0 CAADHN CN(C(=O)CCc1nnc[n-]1)C1CC([NH2+]CC(N)=O)C1 ZINC001404006586 889397621 /nfs/dbraw/zinc/39/76/21/889397621.db2.gz AIMLLEMUGMYXKY-UHFFFAOYSA-N 0 3 280.332 -1.198 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001404333524 889405599 /nfs/dbraw/zinc/40/55/99/889405599.db2.gz YNDUYAPJSGXHIO-IUCAKERBSA-N 0 3 283.332 -2.054 20 0 CAADHN CCN1CC[C@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC001404999324 889425776 /nfs/dbraw/zinc/42/57/76/889425776.db2.gz TUSUAGOCRREASL-JTQLQIEISA-N 0 3 270.333 -1.551 20 0 CAADHN CC[C@H](CNC(=O)CCNC(=O)NC)NCC(N)=O ZINC001405218732 889436392 /nfs/dbraw/zinc/43/63/92/889436392.db2.gz JIILXYLDYZUGID-MRVPVSSYSA-N 0 3 273.337 -1.725 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)NCC(N)=O ZINC001405254390 889443802 /nfs/dbraw/zinc/44/38/02/889443802.db2.gz NPWRNPVPIVGTFI-DTWKUNHWSA-N 0 3 270.333 -1.375 20 0 CAADHN CC[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)NCC(N)=O ZINC001405289622 889446936 /nfs/dbraw/zinc/44/69/36/889446936.db2.gz AIGOFSFQYVHODN-DTWKUNHWSA-N 0 3 270.333 -1.375 20 0 CAADHN CC[C@H](NC[C@H](C)N(C)C(=O)Cn1cncn1)C(N)=O ZINC001405893153 889471055 /nfs/dbraw/zinc/47/10/55/889471055.db2.gz JMLOGSVKCQJHQK-UWVGGRQHSA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1cnn(C)n1 ZINC001405875256 889471475 /nfs/dbraw/zinc/47/14/75/889471475.db2.gz OAMKCBJTNDJVPH-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001405823322 889471524 /nfs/dbraw/zinc/47/15/24/889471524.db2.gz XFVVRWHWCCWIEO-QMMMGPOBSA-N 0 3 294.377 -2.200 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCN1CCCC1=O ZINC001405892257 889470565 /nfs/dbraw/zinc/47/05/65/889470565.db2.gz OQNUDDKBRKGWMT-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001405893091 889470656 /nfs/dbraw/zinc/47/06/56/889470656.db2.gz GLAQHNHUDINELV-BDAKNGLRSA-N 0 3 285.348 -1.549 20 0 CAADHN CCN1CCO[C@@H](C(=O)N(C)[C@@H](C)CNCC(N)=O)C1 ZINC001405899285 889470940 /nfs/dbraw/zinc/47/09/40/889470940.db2.gz QGZLBSVHVAQFLO-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN CN(CCO)CCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001406165706 889477584 /nfs/dbraw/zinc/47/75/84/889477584.db2.gz OLUFGTVTQVGHII-UHFFFAOYSA-N 0 3 284.316 -1.518 20 0 CAADHN CO[C@@H](C)CC(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001406208914 889486073 /nfs/dbraw/zinc/48/60/73/889486073.db2.gz KAFPLUMUJQAQBH-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)C1=CCOCC1 ZINC001406217657 889487973 /nfs/dbraw/zinc/48/79/73/889487973.db2.gz PRSZOWWGCXXBAU-QWRGUYRKSA-N 0 3 283.328 -1.712 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2 ZINC001406243675 889494867 /nfs/dbraw/zinc/49/48/67/889494867.db2.gz ZIHWVPDXYBXKNM-KWBADKCTSA-N 0 3 285.344 -1.774 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001406260534 889498040 /nfs/dbraw/zinc/49/80/40/889498040.db2.gz WGDOFLRCZKVVOG-LURJTMIESA-N 0 3 271.281 -3.364 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001406265166 889501328 /nfs/dbraw/zinc/50/13/28/889501328.db2.gz CXJUZSQZJCKZNB-SCZZXKLOSA-N 0 3 283.332 -1.847 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CC1(F)F)NC1CC1 ZINC001406220435 889489194 /nfs/dbraw/zinc/48/91/94/889489194.db2.gz LVARPEQJIQSHPF-IUCAKERBSA-N 0 3 291.298 -1.013 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccon1 ZINC001406224974 889491793 /nfs/dbraw/zinc/49/17/93/889491793.db2.gz UDGRISFPCOGSNS-MRVPVSSYSA-N 0 3 270.289 -1.509 20 0 CAADHN CO[C@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C)C1CC1 ZINC001406226264 889491825 /nfs/dbraw/zinc/49/18/25/889491825.db2.gz ZJVWPTCCUFOCOO-PWSUYJOCSA-N 0 3 287.360 -1.434 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001406360823 889514000 /nfs/dbraw/zinc/51/40/00/889514000.db2.gz KVMCJFJPVYGGSO-BDAKNGLRSA-N 0 3 287.364 -1.514 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)c1nccnc1N ZINC001406307453 889510215 /nfs/dbraw/zinc/51/02/15/889510215.db2.gz CFPSFXJPFZDUNS-QMMMGPOBSA-N 0 3 280.332 -1.016 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1[nH]cnc1C ZINC001406322864 889510720 /nfs/dbraw/zinc/51/07/20/889510720.db2.gz RUZWCJXGTSOIEF-RKDXNWHRSA-N 0 3 283.332 -1.467 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001406322279 889511693 /nfs/dbraw/zinc/51/16/93/889511693.db2.gz UGCDZYXWHXWNNV-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)[C@H]1CNC(=O)N1 ZINC001406337219 889512325 /nfs/dbraw/zinc/51/23/25/889512325.db2.gz YPFAXNNLYXZMHJ-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@]1(C)CCCS1(=O)=O ZINC001406536396 889527529 /nfs/dbraw/zinc/52/75/29/889527529.db2.gz XJRIQGCXCNMQQG-GZMMTYOYSA-N 0 3 291.373 -1.467 20 0 CAADHN C[C@H](CNCc1nnnn1C)NC(=O)CN1CCCC1 ZINC001406438489 889519981 /nfs/dbraw/zinc/51/99/81/889519981.db2.gz ZTRDWXSWYXIOCU-SNVBAGLBSA-N 0 3 281.364 -1.100 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)Cn1cncn1 ZINC001406430063 889522287 /nfs/dbraw/zinc/52/22/87/889522287.db2.gz KHUHUZOFLPTMTL-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC1(F)F ZINC001406467689 889523656 /nfs/dbraw/zinc/52/36/56/889523656.db2.gz GMMXHPLXHDTBII-WDSKDSINSA-N 0 3 278.259 -1.069 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)CNC(=O)NC ZINC001406477891 889525371 /nfs/dbraw/zinc/52/53/71/889525371.db2.gz DBUKCVDGDLELNH-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)CCNC(N)=O ZINC001406563592 889531577 /nfs/dbraw/zinc/53/15/77/889531577.db2.gz UDAKAEHMAWEWOE-IUCAKERBSA-N 0 3 285.348 -1.582 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001406737133 889532921 /nfs/dbraw/zinc/53/29/21/889532921.db2.gz HCCXVIRKFDPLQS-VIFPVBQESA-N 0 3 281.320 -2.097 20 0 CAADHN Cc1nn(CC(=O)N[C@@H](C)CN(C)CCO)c(=O)n1C ZINC001406697451 889534901 /nfs/dbraw/zinc/53/49/01/889534901.db2.gz QJAXLUAAIFIBQT-VIFPVBQESA-N 0 3 285.348 -1.681 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1COCCO1 ZINC001407101368 889552507 /nfs/dbraw/zinc/55/25/07/889552507.db2.gz UYBFMUCGHBUNCU-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H](C)NC(C)=O ZINC001407095300 889552609 /nfs/dbraw/zinc/55/26/09/889552609.db2.gz JNHCDKLGZUVRET-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2csnn2)CCOCC1 ZINC001407304179 889555790 /nfs/dbraw/zinc/55/57/90/889555790.db2.gz DNWGFVLRZOCBMU-UHFFFAOYSA-N 0 3 299.356 -1.108 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCC[C@H]1CN(C)CCO ZINC001408343401 889607304 /nfs/dbraw/zinc/60/73/04/889607304.db2.gz RBQGMCPZRBLIKT-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001409397884 889632440 /nfs/dbraw/zinc/63/24/40/889632440.db2.gz MKAOYVDWDOVGBH-BDAKNGLRSA-N 0 3 283.336 -1.756 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CNC(=O)NC ZINC001409340990 889633743 /nfs/dbraw/zinc/63/37/43/889633743.db2.gz BXSPTUWCFPOLQT-SFYZADRCSA-N 0 3 273.337 -1.856 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@H]1CN(CCO)CC1(C)C ZINC001410016118 889649671 /nfs/dbraw/zinc/64/96/71/889649671.db2.gz SDRVEKCISUFHAX-IUCAKERBSA-N 0 3 272.349 -1.138 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)CCNC(N)=O ZINC001410322912 889670924 /nfs/dbraw/zinc/67/09/24/889670924.db2.gz FJPCIVICUARFOS-SNVBAGLBSA-N 0 3 299.375 -1.383 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1nnn(C)c1C ZINC001410357553 889674899 /nfs/dbraw/zinc/67/48/99/889674899.db2.gz MWPDBUQXWQSGJV-QMMMGPOBSA-N 0 3 282.348 -1.080 20 0 CAADHN O=C(NC[C@H](CO)NCCO)[C@H]1CCCCS1(=O)=O ZINC001410647699 889694675 /nfs/dbraw/zinc/69/46/75/889694675.db2.gz FDGPRWZKQUDOND-NXEZZACHSA-N 0 3 294.373 -1.987 20 0 CAADHN CN1CCCC[C@H]1C(=O)NC[C@@H](CO)NCC(N)=O ZINC001410686959 889700083 /nfs/dbraw/zinc/70/00/83/889700083.db2.gz WIVVOXCOGAQIED-UWVGGRQHSA-N 0 3 272.349 -1.977 20 0 CAADHN COCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@H]1C ZINC001410823472 889721329 /nfs/dbraw/zinc/72/13/29/889721329.db2.gz PWIOKDRWYSUIRE-HTQZYQBOSA-N 0 3 272.305 -1.593 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CCO)n1cncn1 ZINC001411167261 889739146 /nfs/dbraw/zinc/73/91/46/889739146.db2.gz YEXHGKXKKLIMEU-QWRGUYRKSA-N 0 3 285.348 -1.418 20 0 CAADHN COCCN(CCNC(=O)c1ncn(C)n1)C[C@@H](C)O ZINC001411225352 889743397 /nfs/dbraw/zinc/74/33/97/889743397.db2.gz IKZRWNSAFLCTPZ-SNVBAGLBSA-N 0 3 285.348 -1.126 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001411177341 889745663 /nfs/dbraw/zinc/74/56/63/889745663.db2.gz CLNZNCVGUFEIJS-RKDXNWHRSA-N 0 3 274.321 -2.589 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC001412943180 889914170 /nfs/dbraw/zinc/91/41/70/889914170.db2.gz RBHNJZJYDWYFLR-IVZWLZJFSA-N 0 3 281.378 -1.767 20 0 CAADHN CON1CC[C@H](N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001413031758 889928892 /nfs/dbraw/zinc/92/88/92/889928892.db2.gz XLEBYESQXCEWRL-RNJXMRFFSA-N 0 3 270.289 -2.333 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001413694544 890007868 /nfs/dbraw/zinc/00/78/68/890007868.db2.gz UKSQLAIHBIPTQB-IONNQARKSA-N 0 3 272.305 -2.395 20 0 CAADHN OC[C@@H]1CN(C[C@H](O)C[C@]2(O)CCOC2)CC[C@@H]1O ZINC001413999224 890035833 /nfs/dbraw/zinc/03/58/33/890035833.db2.gz KRJQXLBPBCWDBZ-QNWHQSFQSA-N 0 3 275.345 -1.436 20 0 CAADHN Cn1nnnc1CCN1CCC[C@H](CS(N)(=O)=O)C1 ZINC001413987028 890036318 /nfs/dbraw/zinc/03/63/18/890036318.db2.gz NCTBOLOUOJNUBR-VIFPVBQESA-N 0 3 288.377 -1.247 20 0 CAADHN C[C@@H]1CN(CCc2nnnn2C)C[C@H]1CS(N)(=O)=O ZINC001414034385 890043282 /nfs/dbraw/zinc/04/32/82/890043282.db2.gz KXXVQVYESOLBFN-BDAKNGLRSA-N 0 3 288.377 -1.391 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)CNC(N)=O ZINC001415186091 890086191 /nfs/dbraw/zinc/08/61/91/890086191.db2.gz FJROYIGAFCKTEO-VIFPVBQESA-N 0 3 287.364 -1.384 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(C(N)=O)C2)O1 ZINC001417637151 890150510 /nfs/dbraw/zinc/15/05/10/890150510.db2.gz LDIJURBZSAWJLQ-GJMOJQLCSA-N 0 3 270.289 -1.712 20 0 CAADHN CC(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H](CO)NC(N)=O ZINC001417649291 890151038 /nfs/dbraw/zinc/15/10/38/890151038.db2.gz AQZWREZUAJDMSS-BDAKNGLRSA-N 0 3 287.316 -1.042 20 0 CAADHN COC[C@H](NC(=O)c1ccnn1CCN(C)C)C(N)=O ZINC001417683111 890154834 /nfs/dbraw/zinc/15/48/34/890154834.db2.gz HSCFMMNTNXQFHB-VIFPVBQESA-N 0 3 283.332 -1.325 20 0 CAADHN C[C@@H](CNC(=O)c1ccccn1)NCC(=O)NC(N)=O ZINC001418192617 890197204 /nfs/dbraw/zinc/19/72/04/890197204.db2.gz FEMUYUPGFUULEV-QMMMGPOBSA-N 0 3 279.300 -1.016 20 0 CAADHN CCO[C@@H](C)C(=O)NC[C@H](C)NCC(=O)NC(=O)NC ZINC001418191752 890197436 /nfs/dbraw/zinc/19/74/36/890197436.db2.gz BCJABHZUTFZFQC-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001418237985 890199153 /nfs/dbraw/zinc/19/91/53/890199153.db2.gz QCCGCPHYHNLWFI-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001418299686 890210184 /nfs/dbraw/zinc/21/01/84/890210184.db2.gz CJPOKIVBPVRMGU-SSDOTTSWSA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@H](CNC(=O)CCCC(N)=O)N[C@H]1CCN(C)C1=O ZINC001418322280 890210216 /nfs/dbraw/zinc/21/02/16/890210216.db2.gz OFGSWVMWSXMEJD-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CCNC(=O)c1nnn(C)n1)C[C@H](O)COC ZINC001418557224 890240712 /nfs/dbraw/zinc/24/07/12/890240712.db2.gz GHEMWSPXUATIOF-VIFPVBQESA-N 0 3 286.336 -1.731 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1COCCO1 ZINC001418805549 890263070 /nfs/dbraw/zinc/26/30/70/890263070.db2.gz FBNLIWQTBKWNFG-NXEZZACHSA-N 0 3 271.317 -1.662 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001418836052 890266372 /nfs/dbraw/zinc/26/63/72/890266372.db2.gz XFBJVDLMZOYBEY-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@H]1CCC(=O)N1)C(N)=O ZINC001418832420 890267387 /nfs/dbraw/zinc/26/73/87/890267387.db2.gz OELBSPYCFCLXLS-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN COc1nn(C)cc1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001418823881 890268231 /nfs/dbraw/zinc/26/82/31/890268231.db2.gz NVJIOAHTWOEODC-QMMMGPOBSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@]2(CO)COCCN2)C1 ZINC001418953378 890275510 /nfs/dbraw/zinc/27/55/10/890275510.db2.gz QZOAGKCRWUZRQG-AAEUAGOBSA-N 0 3 271.361 -1.205 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001419062107 890294791 /nfs/dbraw/zinc/29/47/91/890294791.db2.gz IHYMWGWNNQJGDP-LPEHRKFASA-N 0 3 286.332 -2.134 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)NCC(N)=O ZINC001419167041 890311651 /nfs/dbraw/zinc/31/16/51/890311651.db2.gz CEQRGRPDCUYXKE-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)N[C@H](C)C(=O)NC ZINC001419198991 890312078 /nfs/dbraw/zinc/31/20/78/890312078.db2.gz MHJRFRWMDVYBCY-BDAKNGLRSA-N 0 3 287.364 -1.466 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001419424014 890326060 /nfs/dbraw/zinc/32/60/60/890326060.db2.gz TWQYYNTUECMIAX-GHMZBOCLSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)COC ZINC001419672364 890338077 /nfs/dbraw/zinc/33/80/77/890338077.db2.gz LDIBPOYDIWZGIQ-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN Cn1ncc(C(=O)NCC2(NCC(N)=O)CCCC2)n1 ZINC001419622192 890338458 /nfs/dbraw/zinc/33/84/58/890338458.db2.gz FLHDPLZMJMRWNE-UHFFFAOYSA-N 0 3 280.332 -1.067 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1COCCO1 ZINC001419712220 890342583 /nfs/dbraw/zinc/34/25/83/890342583.db2.gz RIZCBQHNLBYWOX-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001419704826 890345249 /nfs/dbraw/zinc/34/52/49/890345249.db2.gz FWKJDIPWGRCGNW-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001419931210 890361142 /nfs/dbraw/zinc/36/11/42/890361142.db2.gz FOCGWJPQUVEKDK-YUMQZZPRSA-N 0 3 292.361 -2.482 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cccn(C)c1=O ZINC001419887058 890361953 /nfs/dbraw/zinc/36/19/53/890361953.db2.gz CQFUIWSMWRIPSP-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(C)=O)C1 ZINC001419951687 890366759 /nfs/dbraw/zinc/36/67/59/890366759.db2.gz XTTCFKIGZHRZTF-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(C)C(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001420108123 890383953 /nfs/dbraw/zinc/38/39/53/890383953.db2.gz OACLQHYWKZEDOF-SFYZADRCSA-N 0 3 274.321 -1.708 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1CCC(O)CC1 ZINC001420099817 890383994 /nfs/dbraw/zinc/38/39/94/890383994.db2.gz DORVHLXGNLQOPK-UDNWOFFPSA-N 0 3 273.333 -1.911 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001420108699 890384713 /nfs/dbraw/zinc/38/47/13/890384713.db2.gz NIYGCNDDUPVDJK-UWVGGRQHSA-N 0 3 273.333 -1.632 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)[nH]n1 ZINC001420096886 890386019 /nfs/dbraw/zinc/38/60/19/890386019.db2.gz DUEKUVFSMKKICS-IONNQARKSA-N 0 3 283.332 -1.474 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cncnc1 ZINC001420113277 890387909 /nfs/dbraw/zinc/38/79/09/890387909.db2.gz JHMVUEKYRWHMLF-SCZZXKLOSA-N 0 3 281.316 -1.709 20 0 CAADHN C[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)n1cncn1 ZINC001420115014 890387967 /nfs/dbraw/zinc/38/79/67/890387967.db2.gz LWRRUZQLHXLYPZ-SFYZADRCSA-N 0 3 270.293 -2.609 20 0 CAADHN CS[C@H](C)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001420119993 890391644 /nfs/dbraw/zinc/39/16/44/890391644.db2.gz WYLOMJLVDWFWPV-RNFRBKRXSA-N 0 3 292.361 -2.001 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1csnn1 ZINC001420157221 890403271 /nfs/dbraw/zinc/40/32/71/890403271.db2.gz LUWIXCAJLYHLJX-NKWVEPMBSA-N 0 3 285.329 -1.893 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001420168030 890405674 /nfs/dbraw/zinc/40/56/74/890405674.db2.gz IEFXDLWLXUHXLN-SFYZADRCSA-N 0 3 272.305 -2.841 20 0 CAADHN CCCn1cc(C(=O)NC[C@@H](O)CNCC(N)=O)nn1 ZINC001420182155 890411188 /nfs/dbraw/zinc/41/11/88/890411188.db2.gz GFZUJAZSZLTMNB-QMMMGPOBSA-N 0 3 284.320 -2.146 20 0 CAADHN CCOCC(=O)N[C@H](C)CNCC(=O)N1CCOCC1 ZINC001420262233 890422579 /nfs/dbraw/zinc/42/25/79/890422579.db2.gz LGDSIKZABXIVEK-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)OC ZINC001420265758 890423052 /nfs/dbraw/zinc/42/30/52/890423052.db2.gz KBRMTLLETCMNJA-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@H](C)NC(N)=O ZINC001420274983 890425018 /nfs/dbraw/zinc/42/50/18/890425018.db2.gz UCYKIHYOVJNKAC-HRDYMLBCSA-N 0 3 285.348 -1.632 20 0 CAADHN CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)C1CNC1 ZINC000923605156 883996533 /nfs/dbraw/zinc/99/65/33/883996533.db2.gz NBQQPVAHFLPIGJ-SECBINFHSA-N 0 3 261.347 -1.256 20 0 CAADHN O=S(=O)(C1CNC1)N1CCO[C@H](Cn2cncn2)C1 ZINC000923611907 883996690 /nfs/dbraw/zinc/99/66/90/883996690.db2.gz FPZGXCSKXDWBJW-SECBINFHSA-N 0 3 287.345 -1.720 20 0 CAADHN CNC(=O)[C@@H](NS(=O)(=O)N1CCNCC1)C(C)C ZINC000923629946 883996878 /nfs/dbraw/zinc/99/68/78/883996878.db2.gz LQYDKUMBUUNLQA-VIFPVBQESA-N 0 3 278.378 -1.503 20 0 CAADHN COCCN1CCN(S(=O)(=O)C2CNC2)C[C@@H]1C ZINC000923613319 883996914 /nfs/dbraw/zinc/99/69/14/883996914.db2.gz XEAYQDKNDKKHKP-JTQLQIEISA-N 0 3 277.390 -1.060 20 0 CAADHN CCOC(=O)CNS(=O)(=O)N1CCNCC1 ZINC000037472619 883983802 /nfs/dbraw/zinc/98/38/02/883983802.db2.gz PSAWUMMWYHIFKD-UHFFFAOYSA-N 0 3 251.308 -1.711 20 0 CAADHN CC[C@@H](N)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000129381995 883985655 /nfs/dbraw/zinc/98/56/55/883985655.db2.gz NOXJSFULCLLZOB-SNVBAGLBSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](CNS(=O)(=O)C1CNC1)CN1CCOCC1 ZINC000923614524 883997450 /nfs/dbraw/zinc/99/74/50/883997450.db2.gz ARHXHVFFGYYEQL-SNVBAGLBSA-N 0 3 277.390 -1.154 20 0 CAADHN C[C@H]([C@H](C)NS(=O)(=O)C1CNC1)N1CCOCC1 ZINC000923606528 883997825 /nfs/dbraw/zinc/99/78/25/883997825.db2.gz PDZNXAYNZAOSOC-VHSXEESVSA-N 0 3 277.390 -1.013 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000938821647 883999432 /nfs/dbraw/zinc/99/94/32/883999432.db2.gz REJANRIJGUEISX-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)COc1cnn(C)c1 ZINC000986745002 884005499 /nfs/dbraw/zinc/00/54/99/884005499.db2.gz CDRXEIVIRURYHN-GXSJLCMTSA-N 0 3 295.343 -1.137 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)COc1cnn(C)c1 ZINC000986745004 884005604 /nfs/dbraw/zinc/00/56/04/884005604.db2.gz CDRXEIVIRURYHN-KOLCDFICSA-N 0 3 295.343 -1.137 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCN1CCOCC1 ZINC000987191446 884006180 /nfs/dbraw/zinc/00/61/80/884006180.db2.gz LXVURONZQKEUME-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)C1CC(=O)NC(=O)C1 ZINC000987181441 884007511 /nfs/dbraw/zinc/00/75/11/884007511.db2.gz VNUMKTNYXFSAEV-VXNVDRBHSA-N 0 3 296.327 -1.897 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cnon1 ZINC000987205010 884007542 /nfs/dbraw/zinc/00/75/42/884007542.db2.gz HZHQBSHNXGKUNR-BQBZGAKWSA-N 0 3 253.262 -1.253 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCN1CCOCC1 ZINC000987191452 884007973 /nfs/dbraw/zinc/00/79/73/884007973.db2.gz LXVURONZQKEUME-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cnon1 ZINC000987205016 884008290 /nfs/dbraw/zinc/00/82/90/884008290.db2.gz HZHQBSHNXGKUNR-NKWVEPMBSA-N 0 3 253.262 -1.253 20 0 CAADHN CC[C@H](C(=O)N1CC[C@H]2CN(C(=O)C(N)=O)C[C@H]21)N(C)C ZINC001022021740 884011898 /nfs/dbraw/zinc/01/18/98/884011898.db2.gz JWNCOWKZRHUSOR-HBNTYKKESA-N 0 3 296.371 -1.129 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1CNCc1cn(C)nn1 ZINC001048185505 884020766 /nfs/dbraw/zinc/02/07/66/884020766.db2.gz UGJOSXRIGLYDRQ-VHSXEESVSA-N 0 3 294.359 -1.125 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1CNCc1cn(C)nn1 ZINC001048185503 884020891 /nfs/dbraw/zinc/02/08/91/884020891.db2.gz UGJOSXRIGLYDRQ-NXEZZACHSA-N 0 3 294.359 -1.125 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1CNCc1cn(C)nn1 ZINC001048185506 884021524 /nfs/dbraw/zinc/02/15/24/884021524.db2.gz UGJOSXRIGLYDRQ-ZJUUUORDSA-N 0 3 294.359 -1.125 20 0 CAADHN O=C(CN1CN=NC1=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075710583 884024287 /nfs/dbraw/zinc/02/42/87/884024287.db2.gz AYXDEVLNEVYSLS-VHSXEESVSA-N 0 3 281.316 -1.491 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@@H]2COC(=O)N2)[C@@H](O)C1 ZINC001083434242 884027616 /nfs/dbraw/zinc/02/76/16/884027616.db2.gz XHXGEFLPKLCCCX-VGMNWLOBSA-N 0 3 257.290 -1.336 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001083699199 884033400 /nfs/dbraw/zinc/03/34/00/884033400.db2.gz OFJMRWDGBRJWLG-BBBLOLIVSA-N 0 3 255.318 -1.306 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001083699273 884033707 /nfs/dbraw/zinc/03/37/07/884033707.db2.gz RDHPVBPWQGCVDF-BBBLOLIVSA-N 0 3 255.318 -1.308 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)ncc1=O ZINC001083653909 884034364 /nfs/dbraw/zinc/03/43/64/884034364.db2.gz KICOUQZWEALTCR-PWSUYJOCSA-N 0 3 292.339 -1.035 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2COC(=O)N2)CCN1CCO ZINC001088548854 884035215 /nfs/dbraw/zinc/03/52/15/884035215.db2.gz IXRKHWKKONIQNG-VGMNWLOBSA-N 0 3 257.290 -1.334 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2COC(=O)N2)CCN1CCO ZINC001088548853 884035864 /nfs/dbraw/zinc/03/58/64/884035864.db2.gz IXRKHWKKONIQNG-HRDYMLBCSA-N 0 3 257.290 -1.334 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CCC(=O)NC2=O)CCN1CCO ZINC001088961811 884036639 /nfs/dbraw/zinc/03/66/39/884036639.db2.gz YWJHLXSREDUURF-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN CC[C@]1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCNC1=O ZINC001114428741 884043406 /nfs/dbraw/zinc/04/34/06/884043406.db2.gz KPSNZMCVIUYYTI-OXIWPEFWSA-N 0 3 281.356 -1.059 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001114433170 884044234 /nfs/dbraw/zinc/04/42/34/884044234.db2.gz HPCDRTFJFFHIHR-QCLAVDOMSA-N 0 3 294.355 -1.567 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN(C[C@@H](O)CC(F)(F)F)C[C@H]21 ZINC001114752611 884045784 /nfs/dbraw/zinc/04/57/84/884045784.db2.gz HZDCYALRJSQCSF-RULNZFCNSA-N 0 3 295.261 -1.169 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114752652 884046311 /nfs/dbraw/zinc/04/63/11/884046311.db2.gz JDXYFABBTDPOSD-BRPSZJMVSA-N 0 3 257.290 -2.473 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC001114745499 884046361 /nfs/dbraw/zinc/04/63/61/884046361.db2.gz AYCLRYGALNRQCA-ZRUFSTJUSA-N 0 3 298.343 -2.277 20 0 CAADHN Cn1cc(OCC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)cn1 ZINC001114741717 884046579 /nfs/dbraw/zinc/04/65/79/884046579.db2.gz VBLFIEDHFIFOHC-PJXYFTJBSA-N 0 3 280.328 -1.162 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115254422 884049011 /nfs/dbraw/zinc/04/90/11/884049011.db2.gz NEELBYCMYAPMOB-MBTKJCJQSA-N 0 3 277.346 -2.426 20 0 CAADHN COC(=O)NCC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001124172191 884054034 /nfs/dbraw/zinc/05/40/34/884054034.db2.gz HGUVSDQBHJASHW-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)n1cncn1 ZINC001125917477 884054093 /nfs/dbraw/zinc/05/40/93/884054093.db2.gz DAJCXYHASMQHKR-MRVPVSSYSA-N 0 3 254.294 -1.709 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1ccon1 ZINC001124201057 884054195 /nfs/dbraw/zinc/05/41/95/884054195.db2.gz RCBYTBAMQZRGBX-SSDOTTSWSA-N 0 3 266.257 -1.201 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC(N)=O)n1cncn1 ZINC001125917914 884055195 /nfs/dbraw/zinc/05/51/95/884055195.db2.gz IVVPWXWJDWHRFN-SSDOTTSWSA-N 0 3 283.292 -2.260 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cn(C)nn1)C(N)=O ZINC001126654131 884055277 /nfs/dbraw/zinc/05/52/77/884055277.db2.gz LMRHAYUDTXXNFF-SSDOTTSWSA-N 0 3 254.294 -1.602 20 0 CAADHN Cc1nnc(CC(=O)NCCN[C@@H]2CCCNC2=O)o1 ZINC001126668194 884055371 /nfs/dbraw/zinc/05/53/71/884055371.db2.gz XXRJKDRHLRBVQW-SECBINFHSA-N 0 3 281.316 -1.095 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)n1cncn1 ZINC001125919143 884055822 /nfs/dbraw/zinc/05/58/22/884055822.db2.gz SRLOWRZUQQVLHE-RKDXNWHRSA-N 0 3 268.321 -1.321 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)nn1)C(=O)NC(N)=O ZINC001126657565 884055950 /nfs/dbraw/zinc/05/59/50/884055950.db2.gz GNRRUSZORDRDEO-ZCFIWIBFSA-N 0 3 283.292 -2.282 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)c2cn(C)nn2)C1=O ZINC001126655065 884056041 /nfs/dbraw/zinc/05/60/41/884056041.db2.gz YLUODZSVZJIOLB-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cn(C)nn1 ZINC001126657640 884056175 /nfs/dbraw/zinc/05/61/75/884056175.db2.gz HONOXZYQYOSLMJ-ZETCQYMHSA-N 0 3 297.319 -2.021 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H](C)n1cncn1)C(N)=O ZINC001125919220 884056216 /nfs/dbraw/zinc/05/62/16/884056216.db2.gz VBZOODXWQJWXCS-BDAKNGLRSA-N 0 3 268.321 -1.191 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cn(C)nn1 ZINC001126657638 884056240 /nfs/dbraw/zinc/05/62/40/884056240.db2.gz HONOXZYQYOSLMJ-SSDOTTSWSA-N 0 3 297.319 -2.021 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H]1CCN(C)C1=O)n1cncn1 ZINC001125919226 884056349 /nfs/dbraw/zinc/05/63/49/884056349.db2.gz VDTNNFHZDPJMMY-NXEZZACHSA-N 0 3 280.332 -1.224 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)nn1)C(=O)NC(N)=O ZINC001126657563 884056803 /nfs/dbraw/zinc/05/68/03/884056803.db2.gz GNRRUSZORDRDEO-LURJTMIESA-N 0 3 283.292 -2.282 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)n1cncn1)C(=O)NC(N)=O ZINC001125918595 884056999 /nfs/dbraw/zinc/05/69/99/884056999.db2.gz OVFRBORAGKQDIO-HTQZYQBOSA-N 0 3 297.319 -1.872 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)nn1)C(=O)NC1CC1 ZINC001126657453 884057137 /nfs/dbraw/zinc/05/71/37/884057137.db2.gz FBBXXHJWZQIFOO-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN Cc1nnc(CC(=O)NCCN[C@@H](C)C(N)=O)o1 ZINC001126668068 884057631 /nfs/dbraw/zinc/05/76/31/884057631.db2.gz VIEUNDFWXPLBPQ-LURJTMIESA-N 0 3 255.278 -1.500 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653226 884058068 /nfs/dbraw/zinc/05/80/68/884058068.db2.gz OHYIVRGUPRHWDP-UHFFFAOYSA-N 0 3 297.319 -2.781 20 0 CAADHN NC(=O)CNCCNC(=O)c1cn2c(n1)CCC2 ZINC001127633364 884058648 /nfs/dbraw/zinc/05/86/48/884058648.db2.gz RXHYWUNPLOUNML-UHFFFAOYSA-N 0 3 251.290 -1.366 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1cnc(C(N)=O)n1)C(N)=O ZINC001127653133 884058976 /nfs/dbraw/zinc/05/89/76/884058976.db2.gz NEKPDJNPQSWRST-SSDOTTSWSA-N 0 3 297.319 -2.653 20 0 CAADHN CCS(=O)(=O)CC(=O)NCCN[C@@H](C)C(=O)NC ZINC001152376954 884063076 /nfs/dbraw/zinc/06/30/76/884063076.db2.gz OTIHPCSRSYHSCN-QMMMGPOBSA-N 0 3 279.362 -1.739 20 0 CAADHN COCCOCCC(=O)NCCNCC(=O)N1CCC1 ZINC001153224871 884063155 /nfs/dbraw/zinc/06/31/55/884063155.db2.gz FMQXNOFETFJZNO-UHFFFAOYSA-N 0 3 287.360 -1.022 20 0 CAADHN CCOCCOCC(=O)NCCN[C@H](C)C(=O)NC ZINC001152501207 884063371 /nfs/dbraw/zinc/06/33/71/884063371.db2.gz HSYDHNKSRTZLMG-SNVBAGLBSA-N 0 3 275.349 -1.120 20 0 CAADHN C[C@H](NC(=O)C1CCC1)C(=O)NCCN[C@H]1CCNC1=O ZINC001153693151 884063438 /nfs/dbraw/zinc/06/34/38/884063438.db2.gz PKPDDYQORUZMJW-ONGXEEELSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](NC(=O)C1CCC1)C(=O)NCCN[C@H]1CCNC1=O ZINC001153693140 884063482 /nfs/dbraw/zinc/06/34/82/884063482.db2.gz PKPDDYQORUZMJW-KOLCDFICSA-N 0 3 296.371 -1.115 20 0 CAADHN CCOCCOCC(=O)NCCN[C@H]1CCNC1=O ZINC001152501153 884064377 /nfs/dbraw/zinc/06/43/77/884064377.db2.gz FOZIVRQDSUFOPX-JTQLQIEISA-N 0 3 273.333 -1.366 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001152508204 884064281 /nfs/dbraw/zinc/06/42/81/884064281.db2.gz IJVGGIYNGDUVTN-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCC(O)CC1 ZINC001161178757 884066267 /nfs/dbraw/zinc/06/62/67/884066267.db2.gz WARTVNBYZQLCKB-JTQLQIEISA-N 0 3 255.318 -1.700 20 0 CAADHN COCC(=O)N(C)CC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001188118631 884068476 /nfs/dbraw/zinc/06/84/76/884068476.db2.gz JBYOZWDXJSWZLO-NWDGAFQWSA-N 0 3 299.371 -1.384 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CNC(=O)C2CCC2)C1)C(N)=O ZINC001188118358 884068513 /nfs/dbraw/zinc/06/85/13/884068513.db2.gz VVMWRRUNEZPDSN-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001188112265 884068924 /nfs/dbraw/zinc/06/89/24/884068924.db2.gz PJSHYKQSVQUYSG-RKDXNWHRSA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CNC(=O)C2CCC2)C1)C(N)=O ZINC001188118458 884069019 /nfs/dbraw/zinc/06/90/19/884069019.db2.gz VVMWRRUNEZPDSN-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H]1CN(CCn2cncn2)C[C@H]1NC(=O)CC(N)=O ZINC001206726205 884076751 /nfs/dbraw/zinc/07/67/51/884076751.db2.gz CZUBHOSUTUWKDX-NXEZZACHSA-N 0 3 280.332 -1.410 20 0 CAADHN COCCCN1C[C@@H](NC(=O)Cn2ncnn2)[C@H](OC)C1 ZINC001212282002 884078131 /nfs/dbraw/zinc/07/81/31/884078131.db2.gz GNAZENSPHYNSQW-GHMZBOCLSA-N 0 3 298.347 -1.475 20 0 CAADHN C[C@]1(O)COCCN(C[C@H](O)CN2CCOCC2)C1 ZINC001251010100 884080419 /nfs/dbraw/zinc/08/04/19/884080419.db2.gz TVYIDKVTORRHHL-CHWSQXEVSA-N 0 3 274.361 -1.237 20 0 CAADHN NC(=O)c1[nH]ncc1NC[C@@H](O)CN1CCOCC1 ZINC001251008117 884080562 /nfs/dbraw/zinc/08/05/62/884080562.db2.gz YFCISMOYJVYEBO-MRVPVSSYSA-N 0 3 269.305 -1.386 20 0 CAADHN C[C@]1(CO)CN(C[C@@H](O)CN2CCOCC2)CC[C@H]1O ZINC001251010488 884081109 /nfs/dbraw/zinc/08/11/09/884081109.db2.gz XDHCRWHFTSYTCU-BFHYXJOUSA-N 0 3 288.388 -1.255 20 0 CAADHN OC[C@@H]1CCN(C[C@@H](O)CN2CCOCC2)C[C@H]1O ZINC001251009816 884081198 /nfs/dbraw/zinc/08/11/98/884081198.db2.gz QHGTXCGBILFYJH-RWMBFGLXSA-N 0 3 274.361 -1.645 20 0 CAADHN COCCNC(=O)c1cn(C[C@H]2CNCCO2)nn1 ZINC001261847545 884085944 /nfs/dbraw/zinc/08/59/44/884085944.db2.gz ZSCKCDJFMDZVCP-SECBINFHSA-N 0 3 269.305 -1.357 20 0 CAADHN CC(C)NC(=O)CNCCN(C)C(=O)c1cn[nH]n1 ZINC001266756929 884087479 /nfs/dbraw/zinc/08/74/79/884087479.db2.gz GQSUNPDAGRPBAW-UHFFFAOYSA-N 0 3 268.321 -1.009 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001266800110 884088162 /nfs/dbraw/zinc/08/81/62/884088162.db2.gz MVWFHVZTLXSDAZ-YUMQZZPRSA-N 0 3 258.322 -1.580 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1cnco1 ZINC001266791476 884088278 /nfs/dbraw/zinc/08/82/78/884088278.db2.gz DSNMEBHWCMYSIQ-UHFFFAOYSA-N 0 3 269.261 -1.469 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001268323557 884090191 /nfs/dbraw/zinc/09/01/91/884090191.db2.gz OXHJREVWWVHGRZ-DTWKUNHWSA-N 0 3 298.343 -2.451 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O)c1cocn1 ZINC001268301776 884091028 /nfs/dbraw/zinc/09/10/28/884091028.db2.gz UWMGUNMWSJLODT-HTQZYQBOSA-N 0 3 296.283 -1.840 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001268323559 884091523 /nfs/dbraw/zinc/09/15/23/884091523.db2.gz OXHJREVWWVHGRZ-IUCAKERBSA-N 0 3 298.343 -2.451 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C(N)=O)C(=O)NC1CC1 ZINC001268323915 884092470 /nfs/dbraw/zinc/09/24/70/884092470.db2.gz RESOXRFPXKGWRM-POYBYMJQSA-N 0 3 272.305 -2.795 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)CC(N)=O ZINC001268302039 884092793 /nfs/dbraw/zinc/09/27/93/884092793.db2.gz ZSFUBGBBQRRANP-SECBINFHSA-N 0 3 288.348 -2.205 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)C2(C(N)=O)CC2)C1=O ZINC001268323554 884093224 /nfs/dbraw/zinc/09/32/24/884093224.db2.gz OXHJREVWWVHGRZ-BDAKNGLRSA-N 0 3 298.343 -2.451 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCC(=O)NC1=O)c1cocn1 ZINC001268301801 884093853 /nfs/dbraw/zinc/09/38/53/884093853.db2.gz UWMGUNMWSJLODT-JGVFFNPUSA-N 0 3 296.283 -1.840 20 0 CAADHN CCCOCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001268302258 884093891 /nfs/dbraw/zinc/09/38/91/884093891.db2.gz WNFMJJOMKJXPQP-VHSXEESVSA-N 0 3 273.333 -1.632 20 0 CAADHN CN(C)CCN1CC2(CN(C(=O)C3COC3)C2)OCC1=O ZINC001269920737 884097045 /nfs/dbraw/zinc/09/70/45/884097045.db2.gz OKTAVKHSXKSQQZ-UHFFFAOYSA-N 0 3 297.355 -1.366 20 0 CAADHN Cn1cncc1CNCCN(CCO)C(=O)c1nc[nH]n1 ZINC001272277513 884097884 /nfs/dbraw/zinc/09/78/84/884097884.db2.gz KASGSLAXYIAWBI-UHFFFAOYSA-N 0 3 293.331 -1.238 20 0 CAADHN O=C(CNCCN(CCO)C(=O)c1nc[nH]n1)NC1CC1 ZINC001272277748 884098551 /nfs/dbraw/zinc/09/85/51/884098551.db2.gz NIGUMOJMSIGPOB-UHFFFAOYSA-N 0 3 296.331 -1.893 20 0 CAADHN CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)C(N)=O ZINC001273554151 884100473 /nfs/dbraw/zinc/10/04/73/884100473.db2.gz PJDIGNRYUKYPMT-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CCOCC(=O)NC/C=C\CN[C@H](C)C(=O)NC(N)=O ZINC001273822630 884100496 /nfs/dbraw/zinc/10/04/96/884100496.db2.gz KONZAGKPIWHWQR-XRVBUDJMSA-N 0 3 286.332 -1.132 20 0 CAADHN CCOCC(=O)NC/C=C\CN[C@@H](C)C(=O)NC(N)=O ZINC001273822628 884100572 /nfs/dbraw/zinc/10/05/72/884100572.db2.gz KONZAGKPIWHWQR-WBSSQXGSSA-N 0 3 286.332 -1.132 20 0 CAADHN CCN(CCNCc1nc(=O)n(C)[n-]1)C(=O)CC[NH+](C)C ZINC001273589170 884100967 /nfs/dbraw/zinc/10/09/67/884100967.db2.gz ZBGRPDMOXHJOAC-UHFFFAOYSA-N 0 3 298.391 -1.002 20 0 CAADHN CN1CC[C@H](NC/C=C/CNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001273990215 884101186 /nfs/dbraw/zinc/10/11/86/884101186.db2.gz CEJIAZVPWIXQMG-AQHVTNBVSA-N 0 3 296.327 -1.413 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)C(C)(C)C(N)=O ZINC001274105794 884102649 /nfs/dbraw/zinc/10/26/49/884102649.db2.gz OQYZITJGGGFTIQ-CYNONHLPSA-N 0 3 284.360 -1.106 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C/CNC(=O)C(C)(C)C(N)=O ZINC001274105797 884102180 /nfs/dbraw/zinc/10/21/80/884102180.db2.gz OQYZITJGGGFTIQ-VUHVRTRXSA-N 0 3 284.360 -1.106 20 0 CAADHN CC(C)(C(N)=O)C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001278100018 884104656 /nfs/dbraw/zinc/10/46/56/884104656.db2.gz RSPHTPRWMZFYAT-VIFPVBQESA-N 0 3 298.347 -2.144 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CC1CC1 ZINC001278722187 884107807 /nfs/dbraw/zinc/10/78/07/884107807.db2.gz SNCFTOONSYIKSQ-SNVBAGLBSA-N 0 3 257.334 -1.059 20 0 CAADHN CS(=O)(=O)CCN[C@H]1C[C@H](NC(=O)CC(N)=O)C1 ZINC001317073035 884172311 /nfs/dbraw/zinc/17/23/11/884172311.db2.gz KSJVQIMMLRJYCO-ZKCHVHJHSA-N 0 3 277.346 -1.857 20 0 CAADHN NC(=O)[C@H]1CN(C[C@H](O)C(F)(F)F)C[C@H]1C(N)=O ZINC001307930317 884127855 /nfs/dbraw/zinc/12/78/55/884127855.db2.gz RCRSUZZNRPUZHQ-JKUQZMGJSA-N 0 3 269.223 -1.572 20 0 CAADHN NS(=O)(=O)CCCN1CCC(CO)(CO)C1 ZINC001307927989 884128364 /nfs/dbraw/zinc/12/83/64/884128364.db2.gz MVQUECIJHBPSPN-UHFFFAOYSA-N 0 3 252.336 -1.658 20 0 CAADHN NC(=O)[C@H]1CN([C@H]2CCCNC2=O)C[C@H]1C(N)=O ZINC001307930811 884128306 /nfs/dbraw/zinc/12/83/06/884128306.db2.gz VDQOCGLJOUQCLS-RNJXMRFFSA-N 0 3 254.290 -2.216 20 0 CAADHN NC(=O)[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1C(N)=O ZINC001307930810 884128342 /nfs/dbraw/zinc/12/83/42/884128342.db2.gz VDQOCGLJOUQCLS-PRJMDXOYSA-N 0 3 254.290 -2.216 20 0 CAADHN NS(=O)(=O)CCCN1CCC[C@@H](CO)[C@H]1CO ZINC001307968579 884128752 /nfs/dbraw/zinc/12/87/52/884128752.db2.gz ZIMSNQVXYPPZLO-VHSXEESVSA-N 0 3 266.363 -1.270 20 0 CAADHN CN1CCC[C@H](NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)C1 ZINC001311657173 884140503 /nfs/dbraw/zinc/14/05/03/884140503.db2.gz YXXAJWNHKXQESS-LPEHRKFASA-N 0 3 280.328 -1.005 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCc2nc(N)n[nH]2)C1 ZINC001313165441 884147311 /nfs/dbraw/zinc/14/73/11/884147311.db2.gz UWIZMKBARAJAHI-SNVBAGLBSA-N 0 3 269.309 -1.747 20 0 CAADHN CNC(=O)CN[C@@H]1CCCCCN(C(=O)CC(N)=O)C1 ZINC001316769793 884152756 /nfs/dbraw/zinc/15/27/56/884152756.db2.gz YDRIZRORMWBUSH-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C[C@@H](O)COC ZINC001316737418 884152833 /nfs/dbraw/zinc/15/28/33/884152833.db2.gz ZOLPFPJFFUWDSW-KXUCPTDWSA-N 0 3 273.333 -1.552 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001316814743 884153364 /nfs/dbraw/zinc/15/33/64/884153364.db2.gz NUNORHJTKLUAND-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](C(N)=O)N(C)CCOCCN(C)C(=O)c1nc[nH]n1 ZINC001316765613 884153796 /nfs/dbraw/zinc/15/37/96/884153796.db2.gz QRIDIZVOKQSMAZ-VIFPVBQESA-N 0 3 298.347 -1.301 20 0 CAADHN COCC(=O)NCc1nc(C[NH2+]CCCO)cc(=O)[n-]1 ZINC001316717233 884154857 /nfs/dbraw/zinc/15/48/57/884154857.db2.gz CTPITFJXZKUVPZ-UHFFFAOYSA-N 0 3 284.316 -1.083 20 0 CAADHN CN(CCCNC(=O)Cn1cncn1)[C@@H]1CCCNC1=O ZINC001316865362 884156806 /nfs/dbraw/zinc/15/68/06/884156806.db2.gz XNSZLZBEHRIQBE-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)NC(=O)CN(C)CCCNC(=O)c1nnc[nH]1 ZINC001316855998 884157256 /nfs/dbraw/zinc/15/72/56/884157256.db2.gz XXFYELSYFBCXGE-UHFFFAOYSA-N 0 3 297.319 -1.688 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001316848907 884158969 /nfs/dbraw/zinc/15/89/69/884158969.db2.gz MVTIJGMCNQFQRG-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001316984883 884162684 /nfs/dbraw/zinc/16/26/84/884162684.db2.gz FKZAYAGODBAMPD-RKDXNWHRSA-N 0 3 255.318 -1.177 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCN(C[C@@H](C)O)C1 ZINC001316980602 884164511 /nfs/dbraw/zinc/16/45/11/884164511.db2.gz OZOUWWMFXAPBKH-BDAKNGLRSA-N 0 3 258.322 -1.513 20 0 CAADHN C[C@@H](CC(=O)N[C@H]1CCN(CCO)C1)NC(N)=O ZINC001316978113 884165403 /nfs/dbraw/zinc/16/54/03/884165403.db2.gz PVNPONSZIBDTST-IUCAKERBSA-N 0 3 258.322 -1.384 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001317021898 884167637 /nfs/dbraw/zinc/16/76/37/884167637.db2.gz LOMJYISHZRAQFO-QWRGUYRKSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H]2CCN(C[C@@H](O)COC)C2)CC1 ZINC001316987218 884167780 /nfs/dbraw/zinc/16/77/80/884167780.db2.gz AWJMMLRHQKFCNJ-GHMZBOCLSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H]2CCN(C[C@@H](O)COC)C2)CC1 ZINC001316987222 884167943 /nfs/dbraw/zinc/16/79/43/884167943.db2.gz AWJMMLRHQKFCNJ-WDEREUQCSA-N 0 3 299.371 -1.290 20 0 CAADHN CC(C)(C(N)=O)C(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001317014958 884168015 /nfs/dbraw/zinc/16/80/15/884168015.db2.gz DUEZOUADRZWEIC-UWVGGRQHSA-N 0 3 296.371 -1.129 20 0 CAADHN C[C@H](N[C@H](CNC(=O)C(C)(C)C(N)=O)C1CC1)C(N)=O ZINC001317016576 884168128 /nfs/dbraw/zinc/16/81/28/884168128.db2.gz NGCJLXGLMCGDME-IONNQARKSA-N 0 3 284.360 -1.144 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCN(C)C2=O)C1 ZINC001317063009 884169168 /nfs/dbraw/zinc/16/91/68/884169168.db2.gz PXLPJHDTZRPTKK-UWVGGRQHSA-N 0 3 282.344 -1.599 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)C(C)(C)C(N)=O)C1CC1)C(N)=O ZINC001317016567 884169384 /nfs/dbraw/zinc/16/93/84/884169384.db2.gz NGCJLXGLMCGDME-APPZFPTMSA-N 0 3 284.360 -1.144 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)c1cc[n+]([O-])cc1)C1CC1 ZINC001317015339 884169634 /nfs/dbraw/zinc/16/96/34/884169634.db2.gz GYQCCQZYAYWJQS-LLVKDONJSA-N 0 3 278.312 -1.097 20 0 CAADHN CC(C)(C(N)=O)C(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001317014966 884169748 /nfs/dbraw/zinc/16/97/48/884169748.db2.gz DUEZOUADRZWEIC-ZJUUUORDSA-N 0 3 296.371 -1.129 20 0 CAADHN CC(C)CNC(=O)CN[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001317022367 884169794 /nfs/dbraw/zinc/16/97/94/884169794.db2.gz FYTDMHUQXGNDNN-JTQLQIEISA-N 0 3 284.360 -1.272 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001317063011 884172302 /nfs/dbraw/zinc/17/23/02/884172302.db2.gz PXLPJHDTZRPTKK-VHSXEESVSA-N 0 3 282.344 -1.599 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)C2)CCC1 ZINC001317066208 884172789 /nfs/dbraw/zinc/17/27/89/884172789.db2.gz GSEMTMYBYSWQTJ-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)C(=O)NC[C@@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC001317135483 884175841 /nfs/dbraw/zinc/17/58/41/884175841.db2.gz LAPUNKIPEABCBX-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H](C)n1cncn1 ZINC001317234316 884178007 /nfs/dbraw/zinc/17/80/07/884178007.db2.gz MGUUHRCIHGYGIO-IUCAKERBSA-N 0 3 268.321 -1.321 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C[C@@H](C)NC(N)=O ZINC001317586162 884220863 /nfs/dbraw/zinc/22/08/63/884220863.db2.gz FVLQNQFKMJWJNR-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCNC1=O)C(N)=O ZINC001317618142 884227022 /nfs/dbraw/zinc/22/70/22/884227022.db2.gz FXGQZVVWFVWQHC-JGVFFNPUSA-N 0 3 256.306 -1.956 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)c1cnnn1C)C(N)=O ZINC001317237412 884178443 /nfs/dbraw/zinc/17/84/43/884178443.db2.gz YLJXCXYVKJLVTG-SFYZADRCSA-N 0 3 268.321 -1.213 20 0 CAADHN C[C@@H](CNC(=O)Cc1cc[nH]n1)N[C@H]1CCC(=O)NC1=O ZINC001317232870 884178498 /nfs/dbraw/zinc/17/84/98/884178498.db2.gz VJWUQSLQBXCPSD-WPRPVWTQSA-N 0 3 293.327 -1.148 20 0 CAADHN Cc1nnc(CC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O)o1 ZINC001317236368 884178596 /nfs/dbraw/zinc/17/85/96/884178596.db2.gz RUQQAPWPRHPYRF-RQJHMYQMSA-N 0 3 269.305 -1.111 20 0 CAADHN Cc1nnc(CC(=O)NC[C@H](C)N[C@H](C)C(N)=O)o1 ZINC001317236356 884178608 /nfs/dbraw/zinc/17/86/08/884178608.db2.gz RUQQAPWPRHPYRF-NKWVEPMBSA-N 0 3 269.305 -1.111 20 0 CAADHN C[C@H](CNC(=O)C1=COCCO1)N[C@@H]1CCC(=O)NC1=O ZINC001317225325 884178903 /nfs/dbraw/zinc/17/89/03/884178903.db2.gz QBUKYKGWEIYDHW-RKDXNWHRSA-N 0 3 297.311 -1.226 20 0 CAADHN C[C@@H](CNC(=O)CC(N)=O)NCC(=O)NCc1ccco1 ZINC001317231373 884179028 /nfs/dbraw/zinc/17/90/28/884179028.db2.gz MTEOIANRAGHOAN-VIFPVBQESA-N 0 3 296.327 -1.135 20 0 CAADHN Cc1nnc(CC(=O)NC[C@H](C)N[C@@H](C)C(N)=O)o1 ZINC001317236352 884179811 /nfs/dbraw/zinc/17/98/11/884179811.db2.gz RUQQAPWPRHPYRF-BQBZGAKWSA-N 0 3 269.305 -1.111 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)NCCNS(C)(=O)=O ZINC001317267915 884180906 /nfs/dbraw/zinc/18/09/06/884180906.db2.gz ZQNRNCCSSBLENN-LURJTMIESA-N 0 3 266.323 -2.885 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)NCc1ccc(C(N)=O)cc1 ZINC001317267481 884181172 /nfs/dbraw/zinc/18/11/72/884181172.db2.gz IKVHXVXEEMDBMB-MRVPVSSYSA-N 0 3 278.312 -1.135 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)NCC1(CS(C)(=O)=O)CC1 ZINC001317264842 884181493 /nfs/dbraw/zinc/18/14/93/884181493.db2.gz KRJUNGYCPXVQNI-MRVPVSSYSA-N 0 3 291.373 -1.609 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)NCC(N)=O ZINC001317258172 884181699 /nfs/dbraw/zinc/18/16/99/884181699.db2.gz HUJNMLYPDSBEOA-QMMMGPOBSA-N 0 3 266.301 -1.422 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001317269724 884182434 /nfs/dbraw/zinc/18/24/34/884182434.db2.gz SBFFITAVOGRZSG-DTWKUNHWSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CNC(=O)C1(C(N)=O)CC1)NCC(=O)N(C)C ZINC001317268487 884182701 /nfs/dbraw/zinc/18/27/01/884182701.db2.gz NUZMCUZMEJTTQF-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](CNC(=O)COCC(F)F)NCC(N)=O ZINC001317253507 884183529 /nfs/dbraw/zinc/18/35/29/884183529.db2.gz HUMXFVGRFZWRQW-LURJTMIESA-N 0 3 253.249 -1.152 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)NCc1ccc(C(N)=O)cc1 ZINC001317267482 884183546 /nfs/dbraw/zinc/18/35/46/884183546.db2.gz IKVHXVXEEMDBMB-QMMMGPOBSA-N 0 3 278.312 -1.135 20 0 CAADHN C[C@H](CNC(=O)c1cnon1)N[C@H]1CCC(=O)NC1=O ZINC001317274676 884184176 /nfs/dbraw/zinc/18/41/76/884184176.db2.gz CTYJGIXLJQIEOT-RQJHMYQMSA-N 0 3 281.272 -1.417 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccnc1)N[C@H]1CCC(=O)NC1=O ZINC001317291265 884184803 /nfs/dbraw/zinc/18/48/03/884184803.db2.gz WEQFUMJDAKRSQF-UWVGGRQHSA-N 0 3 293.327 -1.217 20 0 CAADHN C[C@@H](CNC(=O)CN1C(=O)CCC1=O)N[C@@H]1CCNC1=O ZINC001317281452 884184874 /nfs/dbraw/zinc/18/48/74/884184874.db2.gz CUFIJKGFISCZBM-DTWKUNHWSA-N 0 3 296.327 -1.882 20 0 CAADHN C[C@H](CNC(=O)C1CC(=O)NC(=O)C1)N[C@@H](C)C(N)=O ZINC001317277521 884184891 /nfs/dbraw/zinc/18/48/91/884184891.db2.gz QNHQEZVLOJRLQH-RQJHMYQMSA-N 0 3 284.316 -1.993 20 0 CAADHN C[C@H](CNC(=O)Cc1ncc[nH]1)N[C@@H]1CCC(=O)NC1=O ZINC001317278415 884185065 /nfs/dbraw/zinc/18/50/65/884185065.db2.gz DFCXSWZFEYKHCS-RKDXNWHRSA-N 0 3 293.327 -1.148 20 0 CAADHN C[C@@H](CNC(=O)Cc1ncc[nH]1)N[C@H]1CCNC1=O ZINC001317279014 884185154 /nfs/dbraw/zinc/18/51/54/884185154.db2.gz GUHGHZGWUDUNRJ-IUCAKERBSA-N 0 3 265.317 -1.065 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001317275331 884185244 /nfs/dbraw/zinc/18/52/44/884185244.db2.gz IRQNNYCIMVPOTF-MRVPVSSYSA-N 0 3 298.343 -1.730 20 0 CAADHN C[C@@H](CNC(=O)c1cnon1)N[C@H]1CCC(=O)NC1=O ZINC001317274671 884185592 /nfs/dbraw/zinc/18/55/92/884185592.db2.gz CTYJGIXLJQIEOT-BQBZGAKWSA-N 0 3 281.272 -1.417 20 0 CAADHN C[C@H](CNC(=O)Cc1ncc[nH]1)N[C@H]1CCC(=O)NC1=O ZINC001317278411 884185621 /nfs/dbraw/zinc/18/56/21/884185621.db2.gz DFCXSWZFEYKHCS-BDAKNGLRSA-N 0 3 293.327 -1.148 20 0 CAADHN C[C@@H](CNC(=O)c1cnon1)N[C@@H]1CCC(=O)NC1=O ZINC001317274674 884185715 /nfs/dbraw/zinc/18/57/15/884185715.db2.gz CTYJGIXLJQIEOT-NKWVEPMBSA-N 0 3 281.272 -1.417 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCCN(C)C1=O)NCC(N)=O ZINC001317282302 884186408 /nfs/dbraw/zinc/18/64/08/884186408.db2.gz HRSRXRXLUFXUPG-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](C)NCC(=O)N2CCC2)CC1 ZINC001317278924 884186885 /nfs/dbraw/zinc/18/68/85/884186885.db2.gz VTDFNWVDXHCMGX-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNC(=O)Cn1ccnc1)N[C@@H]1CCC(=O)NC1=O ZINC001317291263 884187010 /nfs/dbraw/zinc/18/70/10/884187010.db2.gz WEQFUMJDAKRSQF-NXEZZACHSA-N 0 3 293.327 -1.217 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCCNC(=O)C2CC2)C1 ZINC001317301766 884189711 /nfs/dbraw/zinc/18/97/11/884189711.db2.gz DAGYCKNMEOKBJM-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN Cn1nnc(C(=O)NCCC[C@H]2CCCN2CC(N)=O)n1 ZINC001317429262 884192446 /nfs/dbraw/zinc/19/24/46/884192446.db2.gz GYAMHJAZADQCDX-VIFPVBQESA-N 0 3 295.347 -1.330 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)Cn1ncnn1 ZINC001317445874 884193801 /nfs/dbraw/zinc/19/38/01/884193801.db2.gz MIYKZVNFEGAYIE-SECBINFHSA-N 0 3 256.310 -1.244 20 0 CAADHN CN(CCNC(=O)[C@H]1COC(=O)N1)CCOCCO ZINC001317442737 884195756 /nfs/dbraw/zinc/19/57/56/884195756.db2.gz DRHGBHBQEHHYDA-SECBINFHSA-N 0 3 275.305 -1.848 20 0 CAADHN CNC(=O)C1(C(=O)NCCN(C)C[C@H](O)COC)CC1 ZINC001317465984 884199603 /nfs/dbraw/zinc/19/96/03/884199603.db2.gz ZNQYOVMVTVXBPY-JTQLQIEISA-N 0 3 287.360 -1.432 20 0 CAADHN CN(CCO)CCNC(=O)c1ccc(C(N)=O)nc1 ZINC001317472952 884199541 /nfs/dbraw/zinc/19/95/41/884199541.db2.gz MRCOEKUTXZTYHA-UHFFFAOYSA-N 0 3 266.301 -1.166 20 0 CAADHN CN(CCCO)CCNC(=O)CN1C(=O)CNC1=O ZINC001317469688 884200016 /nfs/dbraw/zinc/20/00/16/884200016.db2.gz GINSMWVWULJHBT-UHFFFAOYSA-N 0 3 272.305 -2.031 20 0 CAADHN CN(CCNC(=O)c1nnc[nH]1)CCN1C(=O)CCC1=O ZINC001317466498 884200395 /nfs/dbraw/zinc/20/03/95/884200395.db2.gz UTYGEKHTPNZHGN-UHFFFAOYSA-N 0 3 294.315 -1.385 20 0 CAADHN CN(CCO)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001317463291 884203618 /nfs/dbraw/zinc/20/36/18/884203618.db2.gz DGFCWEVTWNTPMT-UHFFFAOYSA-N 0 3 286.288 -2.553 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN(C)CCCF ZINC001317470699 884203738 /nfs/dbraw/zinc/20/37/38/884203738.db2.gz WRPZOZYKEUEKBT-UHFFFAOYSA-N 0 3 269.342 -1.057 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001317472948 884205011 /nfs/dbraw/zinc/20/50/11/884205011.db2.gz MKQQDVHGCAMOKO-VIFPVBQESA-N 0 3 258.322 -1.430 20 0 CAADHN NC(=O)C(=O)NC[C@@H]1CCCN1C[C@H](O)Cn1cccn1 ZINC001317509767 884206389 /nfs/dbraw/zinc/20/63/89/884206389.db2.gz SJTUZNATVNOFHV-QWRGUYRKSA-N 0 3 295.343 -1.690 20 0 CAADHN NC(=O)C(=O)NC[C@H]1CCCN1C[C@H](O)Cn1cccn1 ZINC001317509765 884207178 /nfs/dbraw/zinc/20/71/78/884207178.db2.gz SJTUZNATVNOFHV-MNOVXSKESA-N 0 3 295.343 -1.690 20 0 CAADHN CCN(CCNC(=O)C(N)=O)C[C@@H]1CCc2ncnn21 ZINC001317483775 884207871 /nfs/dbraw/zinc/20/78/71/884207871.db2.gz KMHCAOBESWBTRR-VIFPVBQESA-N 0 3 280.332 -1.311 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)CCn1cccn1 ZINC001317567495 884214441 /nfs/dbraw/zinc/21/44/41/884214441.db2.gz TZXXOVKCAZESKA-UHFFFAOYSA-N 0 3 296.331 -1.484 20 0 CAADHN CN(CCNCCNS(C)(=O)=O)C(=O)C1CC1 ZINC001317561756 884215146 /nfs/dbraw/zinc/21/51/46/884215146.db2.gz CAGZRGNILIOPAJ-UHFFFAOYSA-N 0 3 263.363 -1.006 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cc1cnn(C)c1 ZINC001317570651 884215671 /nfs/dbraw/zinc/21/56/71/884215671.db2.gz NTRSJBLRHPAMEJ-UHFFFAOYSA-N 0 3 267.333 -1.243 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)C(F)F ZINC001317562421 884216861 /nfs/dbraw/zinc/21/68/61/884216861.db2.gz OYFPQAVPXGAPFC-UHFFFAOYSA-N 0 3 266.248 -1.245 20 0 CAADHN CCNC(=O)NC(=O)CNCCN(C)C(=O)COCC ZINC001317564301 884218293 /nfs/dbraw/zinc/21/82/93/884218293.db2.gz SRBLRQXEOIIYQX-UHFFFAOYSA-N 0 3 288.348 -1.083 20 0 CAADHN C[C@H](NC(=O)CNCCN(C)C(=O)CC(N)=O)C1CC1 ZINC001317576764 884220164 /nfs/dbraw/zinc/22/01/64/884220164.db2.gz GARLLTLOXGBHRQ-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CN(C)CCO1 ZINC001317578931 884219542 /nfs/dbraw/zinc/21/95/42/884219542.db2.gz RSYJLKMMGLYLFI-SECBINFHSA-N 0 3 258.322 -2.150 20 0 CAADHN Cc1nnc(CC(=O)N(C)CCN[C@H](C)C(N)=O)o1 ZINC001317582263 884219834 /nfs/dbraw/zinc/21/98/34/884219834.db2.gz HHQQPBWURAWZPO-SSDOTTSWSA-N 0 3 269.305 -1.158 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)C1=CCOCC1 ZINC001317581277 884219930 /nfs/dbraw/zinc/21/99/30/884219930.db2.gz CHUUFXUSMMSHEN-UHFFFAOYSA-N 0 3 298.343 -1.163 20 0 CAADHN COCCn1cc(C(=O)N(C)CCNCC(N)=O)c(C)n1 ZINC001317584488 884220492 /nfs/dbraw/zinc/22/04/92/884220492.db2.gz GKQIPRZPCUUWKO-UHFFFAOYSA-N 0 3 297.359 -1.015 20 0 CAADHN Cc1nc(C(=O)N(C)CCNCC(=O)NC(N)=O)co1 ZINC001317582635 884220677 /nfs/dbraw/zinc/22/06/77/884220677.db2.gz UQJADSKDGCTBOJ-UHFFFAOYSA-N 0 3 283.288 -1.160 20 0 CAADHN C[C@@H](NC(=O)CNCCN(C)C(=O)CC(N)=O)C1CC1 ZINC001317576763 884220714 /nfs/dbraw/zinc/22/07/14/884220714.db2.gz GARLLTLOXGBHRQ-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)Cc1cccnc1 ZINC001317576727 884221952 /nfs/dbraw/zinc/22/19/52/884221952.db2.gz MNGXPUCWKAWYKS-UHFFFAOYSA-N 0 3 293.327 -1.133 20 0 CAADHN CCn1ncc(C(=O)N(C)CCNCC(N)=O)n1 ZINC001317583499 884222469 /nfs/dbraw/zinc/22/24/69/884222469.db2.gz VPXVVKKUTGFGOE-UHFFFAOYSA-N 0 3 254.294 -1.555 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C[C@H]1CCNC1=O ZINC001317594742 884223044 /nfs/dbraw/zinc/22/30/44/884223044.db2.gz WNJNNKAIPGLFKE-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCNCC(=O)NC(N)=O)C1 ZINC001317581084 884223566 /nfs/dbraw/zinc/22/35/66/884223566.db2.gz HREZSVNOSUOHEM-UHFFFAOYSA-N 0 3 299.331 -2.292 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC001317620422 884224369 /nfs/dbraw/zinc/22/43/69/884224369.db2.gz OTIAWCMVJSINII-SECBINFHSA-N 0 3 270.333 -1.599 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001317618340 884224419 /nfs/dbraw/zinc/22/44/19/884224419.db2.gz IQSCNEYWWFEKGO-JTQLQIEISA-N 0 3 297.359 -1.710 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCc2nccn2C1 ZINC001317606652 884224732 /nfs/dbraw/zinc/22/47/32/884224732.db2.gz SBTLSIGEMNHTKS-JTQLQIEISA-N 0 3 279.344 -1.021 20 0 CAADHN CN(CCNCC(N)=O)C(=O)COCC(F)F ZINC001317614184 884225233 /nfs/dbraw/zinc/22/52/33/884225233.db2.gz FVVXAAWNVRSLOO-UHFFFAOYSA-N 0 3 253.249 -1.199 20 0 CAADHN CC[C@]1(C(=O)N(C)CCN[C@H]2CCNC2=O)CCNC1=O ZINC001317598597 884225332 /nfs/dbraw/zinc/22/53/32/884225332.db2.gz SXCFLCPOTUXJDQ-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCN(C)C1=O ZINC001317621693 884225563 /nfs/dbraw/zinc/22/55/63/884225563.db2.gz VMNWLEZETMURSD-QMMMGPOBSA-N 0 3 256.306 -2.002 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001317607613 884226644 /nfs/dbraw/zinc/22/66/44/884226644.db2.gz FHHSLKDDQMUNRB-SECBINFHSA-N 0 3 285.348 -1.690 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001317618341 884226532 /nfs/dbraw/zinc/22/65/32/884226532.db2.gz IQSCNEYWWFEKGO-SNVBAGLBSA-N 0 3 297.359 -1.710 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCN(C)C1=O ZINC001317621213 884226947 /nfs/dbraw/zinc/22/69/47/884226947.db2.gz HNMLQUOSQSAFSL-NXEZZACHSA-N 0 3 282.344 -1.599 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cncn1C ZINC001317603568 884227099 /nfs/dbraw/zinc/22/70/99/884227099.db2.gz MXKNWORGSRZVIX-UHFFFAOYSA-N 0 3 253.306 -1.172 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)c1cn[nH]n1 ZINC001317606038 884227312 /nfs/dbraw/zinc/22/73/12/884227312.db2.gz YPVPJDWEBLIQOO-UHFFFAOYSA-N 0 3 268.321 -1.008 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cnn2cccnc12 ZINC001317615728 884227648 /nfs/dbraw/zinc/22/76/48/884227648.db2.gz LOFXFYXNIZOVOX-UHFFFAOYSA-N 0 3 276.300 -1.124 20 0 CAADHN CN(CCNCCNS(C)(=O)=O)C(=O)c1cn[nH]n1 ZINC001317604640 884227671 /nfs/dbraw/zinc/22/76/71/884227671.db2.gz JOSDNNWKEHXNQN-UHFFFAOYSA-N 0 3 290.349 -1.985 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001317620085 884228226 /nfs/dbraw/zinc/22/82/26/884228226.db2.gz MBMUFIVMFTUDNZ-QMMMGPOBSA-N 0 3 256.306 -1.860 20 0 CAADHN CC[C@]1(C(=O)N(C)CCN[C@H](C)C(N)=O)CCNC1=O ZINC001317598992 884228369 /nfs/dbraw/zinc/22/83/69/884228369.db2.gz XCIGCMSFPZKUGS-RNCFNFMXSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001317628266 884229841 /nfs/dbraw/zinc/22/98/41/884229841.db2.gz ZNUSKSIVXJTISC-SFYZADRCSA-N 0 3 256.306 -2.098 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cnn(CCOC)c1 ZINC001317655801 884229523 /nfs/dbraw/zinc/22/95/23/884229523.db2.gz ZHWNAFLDUUPYSE-UHFFFAOYSA-N 0 3 297.359 -1.063 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001317651440 884230508 /nfs/dbraw/zinc/23/05/08/884230508.db2.gz SFEWQEBIXONLPF-IUCAKERBSA-N 0 3 268.317 -1.799 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001317639128 884230233 /nfs/dbraw/zinc/23/02/33/884230233.db2.gz IVAGVNRLJJXOOS-UHFFFAOYSA-N 0 3 292.299 -1.418 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)c1cnn(C)n1 ZINC001317639056 884230453 /nfs/dbraw/zinc/23/04/53/884230453.db2.gz GWGCNWPLWQSPSC-UHFFFAOYSA-N 0 3 268.321 -1.387 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@]1(C)CCNC1=O)C(N)=O ZINC001317628957 884230555 /nfs/dbraw/zinc/23/05/55/884230555.db2.gz MIUVHWNFDKSHTN-NOZJJQNGSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)Cn1ccccc1=O ZINC001317658692 884231803 /nfs/dbraw/zinc/23/18/03/884231803.db2.gz WXRFIYYDHSGYNR-UHFFFAOYSA-N 0 3 294.355 -1.016 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@]1(C)CCNC1=O)C(N)=O ZINC001317628959 884232280 /nfs/dbraw/zinc/23/22/80/884232280.db2.gz MIUVHWNFDKSHTN-RNCFNFMXSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCNCC(=O)N1CCCC1)C(=O)[C@H]1CNC(=O)N1 ZINC001317632333 884232561 /nfs/dbraw/zinc/23/25/61/884232561.db2.gz CPQMKDIPWBANGL-SNVBAGLBSA-N 0 3 297.359 -1.662 20 0 CAADHN CC(=O)N[C@@H](C(=O)N(C)CCNCC(N)=O)C(C)C ZINC001317649816 884232891 /nfs/dbraw/zinc/23/28/91/884232891.db2.gz BACICCCIBPUXIC-LLVKDONJSA-N 0 3 272.349 -1.320 20 0 CAADHN CN(CCNCc1ccc(C(N)=O)cc1)C(=O)C(N)=O ZINC001317625331 884233335 /nfs/dbraw/zinc/23/33/35/884233335.db2.gz ABDIIVIEXJTHQZ-UHFFFAOYSA-N 0 3 278.312 -1.181 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001317645667 884233549 /nfs/dbraw/zinc/23/35/49/884233549.db2.gz NKSGXGDQRCCIGX-UHFFFAOYSA-N 0 3 295.343 -1.089 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001317638269 884233925 /nfs/dbraw/zinc/23/39/25/884233925.db2.gz ASVBESVKSRMNBW-UHFFFAOYSA-N 0 3 298.343 -1.777 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C(C)(C)CNC(C)=O ZINC001317639026 884234036 /nfs/dbraw/zinc/23/40/36/884234036.db2.gz KDNZFHBBGFTEKA-UHFFFAOYSA-N 0 3 286.376 -1.057 20 0 CAADHN CN(CCNCC(N)=O)C(=O)COC[C@@H]1CCCO1 ZINC001317667952 884234956 /nfs/dbraw/zinc/23/49/56/884234956.db2.gz HDWDWELEJVLGDJ-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CCCC(N)=O ZINC001317667743 884235607 /nfs/dbraw/zinc/23/56/07/884235607.db2.gz UQNZPFUMHMMAMO-UHFFFAOYSA-N 0 3 258.322 -1.564 20 0 CAADHN CC(C)N(CCCNC(=O)C(N)=O)CC(=O)NC1CC1 ZINC001317699303 884237090 /nfs/dbraw/zinc/23/70/90/884237090.db2.gz HDHHGZSTPSQSOK-UHFFFAOYSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN1CCO[C@H](C(=O)N(C)CCNCC(=O)NC)C1 ZINC001317662772 884238205 /nfs/dbraw/zinc/23/82/05/884238205.db2.gz ARQJXSQHJWDNDA-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001317943769 884241462 /nfs/dbraw/zinc/24/14/62/884241462.db2.gz UAKWGTFGIOPRDE-GHMZBOCLSA-N 0 3 299.371 -1.160 20 0 CAADHN CCCN(C)CC(=O)NC1CN(CC(=O)NC)C1 ZINC001318080336 884252896 /nfs/dbraw/zinc/25/28/96/884252896.db2.gz YAVGMLZEPGYLAG-UHFFFAOYSA-N 0 3 256.350 -1.125 20 0 CAADHN O=C(NCC1CC1)C(=O)NCC1CN(CCCO)C1 ZINC001318164259 884255313 /nfs/dbraw/zinc/25/53/13/884255313.db2.gz KDDJTEXJTXSHHP-UHFFFAOYSA-N 0 3 269.345 -1.057 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NCC1CN(CCCF)C1 ZINC001318128357 884255930 /nfs/dbraw/zinc/25/59/30/884255930.db2.gz MEDGMPBPXJZIKN-VIFPVBQESA-N 0 3 286.307 -1.008 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001318153763 884256769 /nfs/dbraw/zinc/25/67/69/884256769.db2.gz AKVRBSKUHOVGHF-ZANVPECISA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001318127721 884256490 /nfs/dbraw/zinc/25/64/90/884256490.db2.gz AMMBACLEZVSTJB-CBAPKCEASA-N 0 3 284.316 -1.987 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001318144690 884256580 /nfs/dbraw/zinc/25/65/80/884256580.db2.gz DURINGBOGWJHJB-VXGBXAGGSA-N 0 3 299.371 -1.480 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@]2(C)CCNC2=O)C1 ZINC001318153758 884257427 /nfs/dbraw/zinc/25/74/27/884257427.db2.gz AKVRBSKUHOVGHF-NOZJJQNGSA-N 0 3 269.345 -1.059 20 0 CAADHN NC(=O)C(=O)NCC1CN(CCCO[C@@H]2CCOC2)C1 ZINC001318148835 884257494 /nfs/dbraw/zinc/25/74/94/884257494.db2.gz LHQLMZGXRJRBGP-LLVKDONJSA-N 0 3 285.344 -1.285 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001318144687 884257534 /nfs/dbraw/zinc/25/75/34/884257534.db2.gz DURINGBOGWJHJB-NEPJUHHUSA-N 0 3 299.371 -1.480 20 0 CAADHN CO[C@@H](C)CN1CC(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001318172575 884257918 /nfs/dbraw/zinc/25/79/18/884257918.db2.gz DPYIXTKWFNQQBV-VIFPVBQESA-N 0 3 298.343 -1.379 20 0 CAADHN CCN1CC(CNC(=O)CCS(=O)(=O)NC)C1 ZINC001318122126 884258388 /nfs/dbraw/zinc/25/83/88/884258388.db2.gz OFSPRUMZDJQZID-UHFFFAOYSA-N 0 3 263.363 -1.006 20 0 CAADHN CCN1CC(CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001318173193 884258623 /nfs/dbraw/zinc/25/86/23/884258623.db2.gz NDCYRSDCOZIEAJ-UHFFFAOYSA-N 0 3 268.317 -1.052 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001318268639 884260416 /nfs/dbraw/zinc/26/04/16/884260416.db2.gz FGBGQTCHCVVAQW-QJPTWQEYSA-N 0 3 299.371 -1.338 20 0 CAADHN CN1CCN(CCCCNC(=S)NCC(N)=O)CC1 ZINC001318240907 884262686 /nfs/dbraw/zinc/26/26/86/884262686.db2.gz YHFIAUHVAGNBER-UHFFFAOYSA-N 0 3 287.433 -1.037 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H]1CCN(CCO)C1 ZINC001318250674 884263425 /nfs/dbraw/zinc/26/34/25/884263425.db2.gz TXCHFDQVBMZOHV-VIFPVBQESA-N 0 3 258.322 -1.512 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)C(C)(C)C(N)=O)C1 ZINC001318257555 884263824 /nfs/dbraw/zinc/26/38/24/884263824.db2.gz OECLPIRCHBIZHY-UWVGGRQHSA-N 0 3 287.360 -1.304 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001318320587 884265466 /nfs/dbraw/zinc/26/54/66/884265466.db2.gz IANXRNSVSQUDCY-RKDXNWHRSA-N 0 3 259.306 -1.940 20 0 CAADHN COCCN(CCN(C)C)C(=S)NCC(N)=O ZINC001318315655 884266149 /nfs/dbraw/zinc/26/61/49/884266149.db2.gz QKKRILODAPKFGG-UHFFFAOYSA-N 0 3 262.379 -1.144 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001318405749 884278032 /nfs/dbraw/zinc/27/80/32/884278032.db2.gz AOULCWIJAPRLBC-SECBINFHSA-N 0 3 258.322 -1.560 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001318555868 884284243 /nfs/dbraw/zinc/28/42/43/884284243.db2.gz OJVSRSFIWZYJQY-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](CNC(=O)c1ncn(C)n1)NCC(=O)NC ZINC001318520486 884284865 /nfs/dbraw/zinc/28/48/65/884284865.db2.gz ZOCXKPNKQCLISF-MRVPVSSYSA-N 0 3 268.321 -1.341 20 0 CAADHN CC[C@H](CNC(=O)c1cn(C)nn1)NCC(=O)NC ZINC001318518588 884285088 /nfs/dbraw/zinc/28/50/88/884285088.db2.gz NEPLMBFTFCYNJP-MRVPVSSYSA-N 0 3 268.321 -1.341 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NCC(=O)NC1CC1 ZINC001318566635 884286765 /nfs/dbraw/zinc/28/67/65/884286765.db2.gz CZEHQZLXZKWQER-SSDOTTSWSA-N 0 3 256.306 -1.765 20 0 CAADHN CC[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)NCC(N)=O ZINC001318603930 884289401 /nfs/dbraw/zinc/28/94/01/884289401.db2.gz ZPQPOTIHJDBQJD-QMMMGPOBSA-N 0 3 299.331 -2.150 20 0 CAADHN CC[C@H](CNC(=O)c1cnon1)NCC(=O)NC ZINC001318591757 884289757 /nfs/dbraw/zinc/28/97/57/884289757.db2.gz QGQAPVHXXCWCKG-SSDOTTSWSA-N 0 3 255.278 -1.086 20 0 CAADHN CCN1CCN(CCC(=O)NCC(=O)NC)CC1 ZINC001318843062 884297866 /nfs/dbraw/zinc/29/78/66/884297866.db2.gz OXCLIUBNUWJGMG-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001319101860 884307336 /nfs/dbraw/zinc/30/73/36/884307336.db2.gz HLVDKFZSTFLXLI-HTQZYQBOSA-N 0 3 269.305 -2.266 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCNC1=O ZINC001319103562 884306907 /nfs/dbraw/zinc/30/69/07/884306907.db2.gz KQIWRGXWZBSULK-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001319063966 884306983 /nfs/dbraw/zinc/30/69/83/884306983.db2.gz NZYOLEVHYGTGKL-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCN(C)C1=O ZINC001319102591 884308603 /nfs/dbraw/zinc/30/86/03/884308603.db2.gz DJQFIDWZOJSSPU-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCN(C)C1=O ZINC001319102593 884308653 /nfs/dbraw/zinc/30/86/53/884308653.db2.gz DJQFIDWZOJSSPU-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CNCC(=O)Nc1ccon1)CNC(=O)CC(N)=O ZINC001319168421 884312803 /nfs/dbraw/zinc/31/28/03/884312803.db2.gz UEVHAMFZYSOHOD-QMMMGPOBSA-N 0 3 297.315 -1.170 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001319419251 884326023 /nfs/dbraw/zinc/32/60/23/884326023.db2.gz QPNNETZEDLDRIA-JGVFFNPUSA-N 0 3 258.322 -1.567 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001319419252 884325836 /nfs/dbraw/zinc/32/58/36/884325836.db2.gz QPNNETZEDLDRIA-SFYZADRCSA-N 0 3 258.322 -1.567 20 0 CAADHN CCN1CC[C@H](NC[C@H](C)N(C)C(=O)CC(N)=O)C1=O ZINC001319436026 884329484 /nfs/dbraw/zinc/32/94/84/884329484.db2.gz HCMRXWABXVBUDK-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](CNCCF)N(C)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001319471549 884330062 /nfs/dbraw/zinc/33/00/62/884330062.db2.gz DXBSVKMCMQUHKK-SFYZADRCSA-N 0 3 274.296 -1.010 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCCN1CCN(C)CC1 ZINC001319435739 884331488 /nfs/dbraw/zinc/33/14/88/884331488.db2.gz GTESUGCRTJYFLT-UHFFFAOYSA-N 0 3 292.405 -1.711 20 0 CAADHN CCNC(=O)CC(=O)N(C)[C@H](C)CNCC(=O)NC ZINC001319448371 884332132 /nfs/dbraw/zinc/33/21/32/884332132.db2.gz KWGOKGSMSMFSGD-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)N(C)C(=O)CC(N)=O)C1=O ZINC001319436023 884332310 /nfs/dbraw/zinc/33/23/10/884332310.db2.gz HCMRXWABXVBUDK-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001319523707 884333656 /nfs/dbraw/zinc/33/36/56/884333656.db2.gz RLSROESUQQILGU-SSDOTTSWSA-N 0 3 256.306 -1.826 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CCNC1=O ZINC001319510896 884334790 /nfs/dbraw/zinc/33/47/90/884334790.db2.gz NEUANKFWDLKZNE-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)C1(C(N)=O)CC1 ZINC001319523436 884335564 /nfs/dbraw/zinc/33/55/64/884335564.db2.gz QYHMVIIIZSQUSA-DTWKUNHWSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001319524113 884335766 /nfs/dbraw/zinc/33/57/66/884335766.db2.gz TYUBPASAEVHLOI-SSDOTTSWSA-N 0 3 267.289 -1.695 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001319522763 884335966 /nfs/dbraw/zinc/33/59/66/884335966.db2.gz KYPLOQWRNNGEFY-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)NCC[S@](C)=O ZINC001319543632 884338858 /nfs/dbraw/zinc/33/88/58/884338858.db2.gz RZBBUCOZRPAGLI-BTDLBPIBSA-N 0 3 265.379 -1.023 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)Cc1ncc[nH]1 ZINC001319551218 884339035 /nfs/dbraw/zinc/33/90/35/884339035.db2.gz MUKQBOUQAWBWDR-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1cnon1 ZINC001319550105 884339080 /nfs/dbraw/zinc/33/90/80/884339080.db2.gz WLXKIMCRSJJWBT-SSDOTTSWSA-N 0 3 255.278 -1.134 20 0 CAADHN NC(=O)N[C@H]1CCN(CCCN2C(=O)CNC2=O)C1 ZINC001319580039 884340049 /nfs/dbraw/zinc/34/00/49/884340049.db2.gz SYPHQUZZIHRXAC-QMMMGPOBSA-N 0 3 269.305 -1.329 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)NCC[S@@](C)=O ZINC001319543633 884340089 /nfs/dbraw/zinc/34/00/89/884340089.db2.gz RZBBUCOZRPAGLI-DYZYQPBXSA-N 0 3 265.379 -1.023 20 0 CAADHN CN1CCC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001319601140 884342705 /nfs/dbraw/zinc/34/27/05/884342705.db2.gz BVMJUAQCFYTTMY-YUMQZZPRSA-N 0 3 254.290 -1.205 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)[C@H](C)CNCCF ZINC001319589397 884342274 /nfs/dbraw/zinc/34/22/74/884342274.db2.gz JCKILBZYSCODML-MRVPVSSYSA-N 0 3 269.342 -1.058 20 0 CAADHN CN1CCC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001319601139 884343178 /nfs/dbraw/zinc/34/31/78/884343178.db2.gz BVMJUAQCFYTTMY-SFYZADRCSA-N 0 3 254.290 -1.205 20 0 CAADHN CC(C)C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C(N)=O ZINC001319633463 884345118 /nfs/dbraw/zinc/34/51/18/884345118.db2.gz HYOJBRJLEBZYSK-VHSXEESVSA-N 0 3 284.360 -1.177 20 0 CAADHN CCCC(=O)NC[C@H](O)CNCCS(C)(=O)=O ZINC001320185283 884377656 /nfs/dbraw/zinc/37/76/56/884377656.db2.gz DGQDJAYANRWZQZ-SECBINFHSA-N 0 3 266.363 -1.102 20 0 CAADHN NC(=O)N[C@@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001319802453 884351462 /nfs/dbraw/zinc/35/14/62/884351462.db2.gz FUGDTIHMTWXRCY-ZJUUUORDSA-N 0 3 253.306 -1.013 20 0 CAADHN NC(=O)N[C@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001319802450 884353436 /nfs/dbraw/zinc/35/34/36/884353436.db2.gz FUGDTIHMTWXRCY-UWVGGRQHSA-N 0 3 253.306 -1.013 20 0 CAADHN C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CNCC(=O)N(C)C ZINC001319862281 884356556 /nfs/dbraw/zinc/35/65/56/884356556.db2.gz UWVYPJAFDBMNPZ-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(CCCO)CCN(C)C(=O)Cn1cnnn1 ZINC001319977430 884362362 /nfs/dbraw/zinc/36/23/62/884362362.db2.gz QLHJDTXUPFKSAF-UHFFFAOYSA-N 0 3 256.310 -1.554 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H]1CCNC1=O)NCC(N)=O ZINC001319936953 884363222 /nfs/dbraw/zinc/36/32/22/884363222.db2.gz SHYBLBRJSLQRBY-RKDXNWHRSA-N 0 3 270.333 -1.662 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1CCNC1=O)NCC(N)=O ZINC001319936951 884364484 /nfs/dbraw/zinc/36/44/84/884364484.db2.gz SHYBLBRJSLQRBY-DTWKUNHWSA-N 0 3 270.333 -1.662 20 0 CAADHN OCCOCCN1CCN(CCOCCO)CC(O)C1 ZINC001319962875 884364941 /nfs/dbraw/zinc/36/49/41/884364941.db2.gz NMRHHLNAGFSMQF-UHFFFAOYSA-N 0 3 292.376 -2.017 20 0 CAADHN CC(C)CNC(=O)CN[C@@H](CNC(=O)C(N)=O)C(C)C ZINC001319945999 884365023 /nfs/dbraw/zinc/36/50/23/884365023.db2.gz ZCRFLWSSAYDBHG-JTQLQIEISA-N 0 3 286.376 -1.026 20 0 CAADHN CN(CCOCCO)CCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001320047937 884370716 /nfs/dbraw/zinc/37/07/16/884370716.db2.gz LJEJCDHQDWBOOY-JTQLQIEISA-N 0 3 288.348 -1.933 20 0 CAADHN CN(CCN(C)C(=O)Cc1c[nH]cn1)CC(N)=O ZINC001320056056 884371730 /nfs/dbraw/zinc/37/17/30/884371730.db2.gz XGRQHWFXGWDFKA-UHFFFAOYSA-N 0 3 253.306 -1.172 20 0 CAADHN CN(CCO)CCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001320094265 884374371 /nfs/dbraw/zinc/37/43/71/884374371.db2.gz CYOMLLUEDWRIQE-VIFPVBQESA-N 0 3 271.317 -1.578 20 0 CAADHN CN(CCO)CCN(C)C(=O)CN1C(=O)CCC1=O ZINC001320080079 884374640 /nfs/dbraw/zinc/37/46/40/884374640.db2.gz HAEFTIVFHGTFLY-UHFFFAOYSA-N 0 3 271.317 -1.482 20 0 CAADHN CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@H]21 ZINC001320094848 884375227 /nfs/dbraw/zinc/37/52/27/884375227.db2.gz COEAKQKDWOEFDD-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CCCNC(=O)CN1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001320113703 884376501 /nfs/dbraw/zinc/37/65/01/884376501.db2.gz ZJKFRYYVWSBVTH-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CCCNC(=O)CN1CC[C@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001320113700 884376574 /nfs/dbraw/zinc/37/65/74/884376574.db2.gz ZJKFRYYVWSBVTH-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cccnc1)C(N)=O ZINC001320190390 884380141 /nfs/dbraw/zinc/38/01/41/884380141.db2.gz WIVNWQQENSQEKT-WCBMZHEXSA-N 0 3 266.301 -1.364 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1=COCCC1 ZINC001320199228 884380279 /nfs/dbraw/zinc/38/02/79/884380279.db2.gz ASJFLVQYBSEFKV-SECBINFHSA-N 0 3 257.290 -1.767 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cc[n+]([O-])cc1 ZINC001320189607 884380740 /nfs/dbraw/zinc/38/07/40/884380740.db2.gz WVQOQZVDFSVLFU-MNOVXSKESA-N 0 3 294.311 -2.111 20 0 CAADHN CS(=O)(=O)NCCNC[C@@H](O)CNC(=O)C1CC1 ZINC001320190504 884380974 /nfs/dbraw/zinc/38/09/74/884380974.db2.gz YOTJFYRDXKCPGK-SECBINFHSA-N 0 3 279.362 -1.988 20 0 CAADHN NC(=O)CC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001320199528 884381662 /nfs/dbraw/zinc/38/16/62/884381662.db2.gz AIKBOPXZXXVPDV-RNFRBKRXSA-N 0 3 258.278 -3.183 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)C(F)F)C(N)=O ZINC001320187536 884381409 /nfs/dbraw/zinc/38/14/09/884381409.db2.gz LFOFYYCVRFBCMO-PHDIDXHHSA-N 0 3 253.249 -1.418 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001320199527 884381513 /nfs/dbraw/zinc/38/15/13/884381513.db2.gz AIKBOPXZXXVPDV-NKWVEPMBSA-N 0 3 258.278 -3.183 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cc[n+]([O-])cc1 ZINC001320189608 884382733 /nfs/dbraw/zinc/38/27/33/884382733.db2.gz WVQOQZVDFSVLFU-QWRGUYRKSA-N 0 3 294.311 -2.111 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)C1CC1 ZINC001320190483 884382980 /nfs/dbraw/zinc/38/29/80/884382980.db2.gz YAVZINISGNYBOZ-SNVBAGLBSA-N 0 3 257.334 -1.059 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001320201150 884383540 /nfs/dbraw/zinc/38/35/40/884383540.db2.gz PAAZMGOPMJSDFB-IUCAKERBSA-N 0 3 259.306 -1.893 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccn[nH]1)C(N)=O ZINC001320203157 884384371 /nfs/dbraw/zinc/38/43/71/884384371.db2.gz UONFFVJNEDCDSL-YUMQZZPRSA-N 0 3 269.305 -1.646 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001320201149 884384413 /nfs/dbraw/zinc/38/44/13/884384413.db2.gz PAAZMGOPMJSDFB-DTWKUNHWSA-N 0 3 259.306 -1.893 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccn[nH]1)C(N)=O ZINC001320203155 884385458 /nfs/dbraw/zinc/38/54/58/884385458.db2.gz UONFFVJNEDCDSL-JGVFFNPUSA-N 0 3 269.305 -1.646 20 0 CAADHN Cc1[nH]nc(C(=O)NC[C@H](O)CNCC(N)=O)c1C ZINC001320204010 884386613 /nfs/dbraw/zinc/38/66/13/884386613.db2.gz VTKHERWBUKFSGI-MRVPVSSYSA-N 0 3 269.305 -1.808 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CC1CCC1 ZINC001320204316 884386880 /nfs/dbraw/zinc/38/68/80/884386880.db2.gz XRTSKFZJTWFHEH-SNVBAGLBSA-N 0 3 257.334 -1.011 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1CC=CC1 ZINC001320204539 884387270 /nfs/dbraw/zinc/38/72/70/884387270.db2.gz YCUBLPGETAJKGK-SNVBAGLBSA-N 0 3 255.318 -1.235 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1COCCO1 ZINC001320201798 884388026 /nfs/dbraw/zinc/38/80/26/884388026.db2.gz PWOZRCIXMKOCPM-JGVFFNPUSA-N 0 3 261.278 -3.046 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccoc1 ZINC001320216080 884388533 /nfs/dbraw/zinc/38/85/33/884388533.db2.gz WFEYJWSFGHQGTL-SNVBAGLBSA-N 0 3 269.301 -1.365 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001320215620 884389214 /nfs/dbraw/zinc/38/92/14/884389214.db2.gz SPWWSKIHEHYTBX-PHDIDXHHSA-N 0 3 251.233 -1.806 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001320216999 884390919 /nfs/dbraw/zinc/39/09/19/884390919.db2.gz LSRKNLPKEMDGKS-YUMQZZPRSA-N 0 3 269.305 -1.776 20 0 CAADHN CC/C(C)=C/C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001320216122 884391743 /nfs/dbraw/zinc/39/17/43/884391743.db2.gz WHFAUVYTVGYOEK-SGDMMICCSA-N 0 3 286.332 -1.396 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ncc[nH]1)C(N)=O ZINC001320216123 884391644 /nfs/dbraw/zinc/39/16/44/884391644.db2.gz IUZUPWSSYYHCAG-HTQZYQBOSA-N 0 3 269.305 -1.646 20 0 CAADHN Cc1cncc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001320204605 884392662 /nfs/dbraw/zinc/39/26/62/884392662.db2.gz ZDMYWTHLJGEBRW-SNVBAGLBSA-N 0 3 266.301 -1.444 20 0 CAADHN CC(C)(C)OCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001320215057 884392777 /nfs/dbraw/zinc/39/27/77/884392777.db2.gz GKYSVUBBMDCLLT-QMMMGPOBSA-N 0 3 261.322 -1.647 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H](O)CNCC(N)=O ZINC001320218314 884393566 /nfs/dbraw/zinc/39/35/66/884393566.db2.gz VCOUNRWXGOCUEI-SSDOTTSWSA-N 0 3 260.294 -2.935 20 0 CAADHN CC(=O)NCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC001320222486 884394882 /nfs/dbraw/zinc/39/48/82/884394882.db2.gz AGFBEVAWGHGSNP-LLVKDONJSA-N 0 3 258.322 -1.512 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](O)CNCCF)N1C(=O)CCC1=O ZINC001320227014 884395936 /nfs/dbraw/zinc/39/59/36/884395936.db2.gz JQVIDWXNVIECPY-IUCAKERBSA-N 0 3 289.307 -1.440 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CNCCF)cc1=O ZINC001320235950 884398958 /nfs/dbraw/zinc/39/89/58/884398958.db2.gz SMXNRJFWGOMOOC-QMMMGPOBSA-N 0 3 272.280 -1.570 20 0 CAADHN CN1CC[C@H](CC(=O)NC[C@@H](O)CNCCF)C1=O ZINC001320239289 884399194 /nfs/dbraw/zinc/39/91/94/884399194.db2.gz VPHOYLDFOLHFDV-ZJUUUORDSA-N 0 3 275.324 -1.109 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001320236441 884400302 /nfs/dbraw/zinc/40/03/02/884400302.db2.gz ZGLNAZMMPLYEEY-JTQLQIEISA-N 0 3 297.359 -1.502 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001320256345 884403057 /nfs/dbraw/zinc/40/30/57/884403057.db2.gz GLXFMGMCWXEVKB-DVVUODLYSA-N 0 3 269.345 -1.012 20 0 CAADHN C[C@]1(C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)C=CCC1 ZINC001320260203 884403616 /nfs/dbraw/zinc/40/36/16/884403616.db2.gz STNITXKUVJCYHS-RNCFNFMXSA-N 0 3 298.343 -1.396 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)C=CCC1 ZINC001320260204 884403683 /nfs/dbraw/zinc/40/36/83/884403683.db2.gz STNITXKUVJCYHS-TVQRCGJNSA-N 0 3 298.343 -1.396 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001320260995 884405040 /nfs/dbraw/zinc/40/50/40/884405040.db2.gz WHQZYJHGFQBIGW-IUCAKERBSA-N 0 3 286.332 -2.675 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001320264533 884405165 /nfs/dbraw/zinc/40/51/65/884405165.db2.gz SBSOGKHMGHYWMO-QHOPCYEYSA-N 0 3 257.290 -2.569 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)C(N)=O ZINC001320270733 884405421 /nfs/dbraw/zinc/40/54/21/884405421.db2.gz OGFAPVVGKZWJJG-SSDOTTSWSA-N 0 3 260.294 -2.937 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001320264478 884405387 /nfs/dbraw/zinc/40/53/87/884405387.db2.gz SBSOGKHMGHYWMO-ODXREFDESA-N 0 3 257.290 -2.569 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001320260996 884405900 /nfs/dbraw/zinc/40/59/00/884405900.db2.gz WHQZYJHGFQBIGW-RKDXNWHRSA-N 0 3 286.332 -2.675 20 0 CAADHN CCC(C)(C)NC(=O)CNC[C@@H](O)CNC(=O)C(N)=O ZINC001320270674 884405833 /nfs/dbraw/zinc/40/58/33/884405833.db2.gz NQIZPBDDUORRKJ-MRVPVSSYSA-N 0 3 288.348 -2.157 20 0 CAADHN NC(=O)C(=O)NC[C@H](O)CN[C@H]1CCN(C2CCC2)C1=O ZINC001320269842 884405971 /nfs/dbraw/zinc/40/59/71/884405971.db2.gz BVQSIERIUAATAO-ZJUUUORDSA-N 0 3 298.343 -2.308 20 0 CAADHN CC(C)N1CC[C@@H](NC[C@@H](O)CNC(=O)C(N)=O)C1=O ZINC001320270056 884406003 /nfs/dbraw/zinc/40/60/03/884406003.db2.gz HCPVBLHBXKPLBG-RKDXNWHRSA-N 0 3 286.332 -2.452 20 0 CAADHN NC(=O)C(=O)NC[C@H](O)CN[C@@H]1CCN(C2CCC2)C1=O ZINC001320269839 884406250 /nfs/dbraw/zinc/40/62/50/884406250.db2.gz BVQSIERIUAATAO-NXEZZACHSA-N 0 3 298.343 -2.308 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1)C(N)=O ZINC001320264039 884406329 /nfs/dbraw/zinc/40/63/29/884406329.db2.gz PZSXZVKCXVBAEJ-DAWVFNFOSA-N 0 3 269.345 -1.027 20 0 CAADHN CC(F)(F)CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001320272685 884407368 /nfs/dbraw/zinc/40/73/68/884407368.db2.gz YPXWCCPRGXKARR-LURJTMIESA-N 0 3 253.249 -1.416 20 0 CAADHN CC(F)(F)CC(=O)NC[C@H](O)CNCC(N)=O ZINC001320272696 884407772 /nfs/dbraw/zinc/40/77/72/884407772.db2.gz YPXWCCPRGXKARR-ZCFIWIBFSA-N 0 3 253.249 -1.416 20 0 CAADHN NC(=O)C(=O)NC[C@H](O)CNCC(=O)N1CCCC1 ZINC001320272605 884408797 /nfs/dbraw/zinc/40/87/97/884408797.db2.gz XNLVSUXMAYBZMN-MRVPVSSYSA-N 0 3 272.305 -2.839 20 0 CAADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccn(C)n1 ZINC001320302181 884410566 /nfs/dbraw/zinc/41/05/66/884410566.db2.gz PTYGDMGYNTUQIS-UHFFFAOYSA-N 0 3 283.332 -1.211 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1ncc[nH]1)C(N)=O ZINC001320291899 884411212 /nfs/dbraw/zinc/41/12/12/884411212.db2.gz GKSFRQVUIVQWGR-HTQZYQBOSA-N 0 3 269.305 -2.107 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001320287481 884411879 /nfs/dbraw/zinc/41/18/79/884411879.db2.gz ZTTJWPAUAHMZLO-ZCFIWIBFSA-N 0 3 257.250 -2.504 20 0 CAADHN Cc1nonc1CC(=O)NC[C@@H](O)CNCCF ZINC001320293128 884412042 /nfs/dbraw/zinc/41/20/42/884412042.db2.gz PSSAPWNHCUKMDZ-QMMMGPOBSA-N 0 3 260.269 -1.043 20 0 CAADHN COc1cncc(CNCC[C@H](C)NC(=O)C(N)=O)n1 ZINC001320534678 884428698 /nfs/dbraw/zinc/42/86/98/884428698.db2.gz LVRVKAJGGUZSKZ-QMMMGPOBSA-N 0 3 281.316 -1.045 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)[C@H]1COCCO1 ZINC001320682642 884438457 /nfs/dbraw/zinc/43/84/57/884438457.db2.gz JNYFKPOLRFSRNW-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@H]1COCCO1 ZINC001320683912 884438734 /nfs/dbraw/zinc/43/87/34/884438734.db2.gz WCOWFWMDTPNGPZ-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN CCN(CCNCC(=O)NC(=O)NC)C(=O)[C@H](C)OC ZINC001320693412 884442760 /nfs/dbraw/zinc/44/27/60/884442760.db2.gz YSZRJZPZURKOMJ-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@@H]1NC(=O)NC1=O ZINC001320755960 884445026 /nfs/dbraw/zinc/44/50/26/884445026.db2.gz OVITWVXKQZHSLB-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cnc2n[nH]nc2c1 ZINC001320756275 884445162 /nfs/dbraw/zinc/44/51/62/884445162.db2.gz UGVRCXKHKGSMBG-UHFFFAOYSA-N 0 3 291.315 -1.110 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1nc(C)c(C)[nH]c1=O ZINC001320766718 884445300 /nfs/dbraw/zinc/44/53/00/884445300.db2.gz LJZHWWKUZZTZCR-UHFFFAOYSA-N 0 3 295.343 -1.076 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)c1cn[nH]n1 ZINC001320778882 884445530 /nfs/dbraw/zinc/44/55/30/884445530.db2.gz WZFYPNYQXCTYGY-QMMMGPOBSA-N 0 3 266.305 -1.255 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cccn2nnnc12 ZINC001320745215 884445953 /nfs/dbraw/zinc/44/59/53/884445953.db2.gz XOXKNVHQTVDSDY-UHFFFAOYSA-N 0 3 291.315 -1.339 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)Cc1nnc(C)[nH]1 ZINC001320732800 884446512 /nfs/dbraw/zinc/44/65/12/884446512.db2.gz FDINFUWSRZCEGM-UHFFFAOYSA-N 0 3 268.321 -1.421 20 0 CAADHN CCNC(=O)CNCCN(CC)C(=O)[C@@H]1CCNC1=O ZINC001320811764 884448053 /nfs/dbraw/zinc/44/80/53/884448053.db2.gz SCAOJEPLMVYUGY-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CCNC1=O ZINC001320810700 884449084 /nfs/dbraw/zinc/44/90/84/884449084.db2.gz CGSZVRLDOQJZSF-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)C1(C(=O)NC)CC1 ZINC001320862772 884451216 /nfs/dbraw/zinc/45/12/16/884451216.db2.gz AAUPEWQVLKOTSL-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001320841311 884451010 /nfs/dbraw/zinc/45/10/10/884451010.db2.gz UBFVZOJJDYXKGE-ZJUUUORDSA-N 0 3 284.360 -1.366 20 0 CAADHN CCN(CCNCCNS(=O)(=O)CC)C(=O)C(N)=O ZINC001320832090 884451395 /nfs/dbraw/zinc/45/13/95/884451395.db2.gz PAWTZGCPQUCAHE-UHFFFAOYSA-N 0 3 294.377 -2.151 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)[C@H]1CNC(=O)N1 ZINC001320832908 884451437 /nfs/dbraw/zinc/45/14/37/884451437.db2.gz WQAZSQQJSUXEHE-SECBINFHSA-N 0 3 285.348 -1.806 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)Cc1cnc[nH]1 ZINC001320854188 884451496 /nfs/dbraw/zinc/45/14/96/884451496.db2.gz JTVDOUHRHHIUAU-UHFFFAOYSA-N 0 3 253.306 -1.124 20 0 CAADHN CCS(=O)(=O)NCCCN1CC[C@@](O)(C(N)=O)C1 ZINC001320980615 884457453 /nfs/dbraw/zinc/45/74/53/884457453.db2.gz GYPIOKIONZKUNN-JTQLQIEISA-N 0 3 279.362 -1.762 20 0 CAADHN COCC(=O)NC/C=C\CN[C@@H]1CCC(=O)NC1=O ZINC001320941662 884453958 /nfs/dbraw/zinc/45/39/58/884453958.db2.gz ORFFOSRGSXCAKQ-PKRMOACSSA-N 0 3 269.301 -1.300 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001320922264 884454897 /nfs/dbraw/zinc/45/48/97/884454897.db2.gz YNFPSRPPTLGEAA-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)c1cn(C)c(=O)n1C ZINC001320929612 884454140 /nfs/dbraw/zinc/45/41/40/884454140.db2.gz TZQNQMKUTLEOKX-UHFFFAOYSA-N 0 3 297.359 -1.479 20 0 CAADHN COCC(=O)NC/C=C/CN[C@H]1CCC(=O)NC1=O ZINC001320941661 884455486 /nfs/dbraw/zinc/45/54/86/884455486.db2.gz ORFFOSRGSXCAKQ-HPOULIHZSA-N 0 3 269.301 -1.300 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CN1C(=O)CNC1=O ZINC001320912094 884455815 /nfs/dbraw/zinc/45/58/15/884455815.db2.gz BVYUYVRMFYDUJT-QMMMGPOBSA-N 0 3 299.331 -2.150 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1COCCO1 ZINC001320979008 884457391 /nfs/dbraw/zinc/45/73/91/884457391.db2.gz MMTSFRRTDJPGLU-MJKAUQOVSA-N 0 3 285.344 -1.202 20 0 CAADHN CC(=O)NCC(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001320957493 884459505 /nfs/dbraw/zinc/45/95/05/884459505.db2.gz SBLXONYBBMODLQ-RTMURIBGSA-N 0 3 256.306 -1.742 20 0 CAADHN CN1CCC[C@H](NC/C=C/CNC(=O)CC(N)=O)C1=O ZINC001320999344 884461626 /nfs/dbraw/zinc/46/16/26/884461626.db2.gz JISKZEODQFACKX-PBKGFPTLSA-N 0 3 282.344 -1.255 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)c1nccnc1N)C(N)=O ZINC001321000974 884462292 /nfs/dbraw/zinc/46/22/92/884462292.db2.gz QYMSTGUWDDNZFE-SGJFDWMWSA-N 0 3 278.316 -1.192 20 0 CAADHN CN1CCC[C@@H](NC/C=C/CNC(=O)CC(N)=O)C1=O ZINC001320999345 884462820 /nfs/dbraw/zinc/46/28/20/884462820.db2.gz JISKZEODQFACKX-VMZHVLLKSA-N 0 3 282.344 -1.255 20 0 CAADHN O=C(NC/C=C\CN[C@H]1CCCNC1=O)[C@@H]1COC(=O)N1 ZINC001321043302 884464764 /nfs/dbraw/zinc/46/47/64/884464764.db2.gz CYEIFXAIHLHNEK-SLHCBHIOSA-N 0 3 296.327 -1.365 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)c1cnn(C)c1N)C(N)=O ZINC001321026287 884464801 /nfs/dbraw/zinc/46/48/01/884464801.db2.gz AJDUSZZQTNFDMA-RTMURIBGSA-N 0 3 280.332 -1.248 20 0 CAADHN Cc1nnc(CC(=O)NC/C=C/CN[C@H]2CCNC2=O)[nH]1 ZINC001321050307 884465016 /nfs/dbraw/zinc/46/50/16/884465016.db2.gz CKZAXJLIPYKQEJ-PBKGFPTLSA-N 0 3 292.343 -1.194 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CCNC(=O)C1 ZINC001321025867 884465210 /nfs/dbraw/zinc/46/52/10/884465210.db2.gz VTALGIFHKWHPNI-SEUFLZDSSA-N 0 3 296.371 -1.091 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)c1cnn(C)c1N)C(N)=O ZINC001321026289 884466255 /nfs/dbraw/zinc/46/62/55/884466255.db2.gz AJDUSZZQTNFDMA-TUUFMJSCSA-N 0 3 280.332 -1.248 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@H]1CC(=O)N(C)C1)C(N)=O ZINC001321082400 884467692 /nfs/dbraw/zinc/46/76/92/884467692.db2.gz GMPMSDVNSUQPFN-CMIOBCHKSA-N 0 3 282.344 -1.400 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@@H]1CC(=O)N(C)C1)C(N)=O ZINC001321082406 884469424 /nfs/dbraw/zinc/46/94/24/884469424.db2.gz GMPMSDVNSUQPFN-RWCMCFKCSA-N 0 3 282.344 -1.400 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC=CC[NH2+][C@H](C)C(N)=O ZINC001321193439 884477108 /nfs/dbraw/zinc/47/71/08/884477108.db2.gz QEZMGMUTNYWLQJ-TUUFMJSCSA-N 0 3 266.305 -1.137 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC=CC[NH2+][C@@H](C)C(N)=O ZINC001321193440 884477895 /nfs/dbraw/zinc/47/78/95/884477895.db2.gz QEZMGMUTNYWLQJ-VEMNSZJBSA-N 0 3 266.305 -1.137 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)N(C)C ZINC001321248336 884479873 /nfs/dbraw/zinc/47/98/73/884479873.db2.gz BGEOSRXQHNZIBU-WPSJUAOZSA-N 0 3 296.371 -1.154 20 0 CAADHN CCN1CC[C@@H](NC/C=C\CNC(=O)C(N)=O)C1=O ZINC001321224946 884481659 /nfs/dbraw/zinc/48/16/59/884481659.db2.gz XFMWUVJQCUEAAV-ZBJFTSOASA-N 0 3 268.317 -1.646 20 0 CAADHN CCN1CC[C@H](NC/C=C\CNC(=O)C(N)=O)C1=O ZINC001321224945 884481925 /nfs/dbraw/zinc/48/19/25/884481925.db2.gz XFMWUVJQCUEAAV-TYRPZCRBSA-N 0 3 268.317 -1.646 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)CCN1CCOCC1)C(N)=O ZINC001321295233 884483592 /nfs/dbraw/zinc/48/35/92/884483592.db2.gz WYVUXTVYDNMYFW-DLGQBQFBSA-N 0 3 298.387 -1.156 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)C[C@@H]1CCC(=O)N1)C(N)=O ZINC001321292618 884483825 /nfs/dbraw/zinc/48/38/25/884483825.db2.gz XEDRCAGUBMEMKU-ADLDAWLNSA-N 0 3 282.344 -1.209 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001321368487 884489439 /nfs/dbraw/zinc/48/94/39/884489439.db2.gz GBNQHFYROLTORD-NXEZZACHSA-N 0 3 296.327 -1.482 20 0 CAADHN COCC(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001321444670 884491657 /nfs/dbraw/zinc/49/16/57/884491657.db2.gz UIDGPOZBASPUFR-SSDOTTSWSA-N 0 3 257.294 -1.651 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccc(=O)[nH]n1 ZINC001321454923 884492786 /nfs/dbraw/zinc/49/27/86/884492786.db2.gz FFQHVTGBCXPLBB-SSDOTTSWSA-N 0 3 267.289 -1.364 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC/C=C\CNCC(=O)NC)C1 ZINC001321401626 884493296 /nfs/dbraw/zinc/49/32/96/884493296.db2.gz ALOUDCNWGOTQAF-QMAVJUDZSA-N 0 3 298.387 -1.285 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@H](C)CNCCS(C)(=O)=O ZINC001321455532 884493448 /nfs/dbraw/zinc/49/34/48/884493448.db2.gz RODHXZIALAJLNH-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN CCN1CCO[C@H](C(=O)NC/C=C/CNCC(=O)NC)C1 ZINC001321401625 884494363 /nfs/dbraw/zinc/49/43/63/884494363.db2.gz ALOUDCNWGOTQAF-ITKZLYELSA-N 0 3 298.387 -1.285 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@H](C)CNCCS(C)(=O)=O ZINC001321455531 884494527 /nfs/dbraw/zinc/49/45/27/884494527.db2.gz RODHXZIALAJLNH-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)C[C@@H]1CC(=O)NC1=O)C(N)=O ZINC001321445474 884494575 /nfs/dbraw/zinc/49/45/75/884494575.db2.gz WTGXUVXKSBOTEQ-AHQHDXANSA-N 0 3 296.327 -1.825 20 0 CAADHN CO[C@@H](C)C(=O)N[C@H](C)CNCCNS(C)(=O)=O ZINC001321471816 884496355 /nfs/dbraw/zinc/49/63/55/884496355.db2.gz XEMHBXQMCFWZDW-BDAKNGLRSA-N 0 3 281.378 -1.335 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1ccnn1C ZINC001321468051 884496449 /nfs/dbraw/zinc/49/64/49/884496449.db2.gz AIHIXDOHOPLZDD-BDAKNGLRSA-N 0 3 293.327 -1.067 20 0 CAADHN CO[C@H](C)C(=O)N[C@H](C)CNCCNS(C)(=O)=O ZINC001321471817 884496721 /nfs/dbraw/zinc/49/67/21/884496721.db2.gz XEMHBXQMCFWZDW-RKDXNWHRSA-N 0 3 281.378 -1.335 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)CC(N)=O ZINC001321477971 884496764 /nfs/dbraw/zinc/49/67/64/884496764.db2.gz CMEJYOXFOMDROL-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1ccnn1C ZINC001321468052 884497177 /nfs/dbraw/zinc/49/71/77/884497177.db2.gz AIHIXDOHOPLZDD-RKDXNWHRSA-N 0 3 293.327 -1.067 20 0 CAADHN CCNC(=O)CC(=O)N[C@H](C)CN[C@@H]1CCCNC1=O ZINC001321501513 884497220 /nfs/dbraw/zinc/49/72/20/884497220.db2.gz QAWUVIIHPFDHBG-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001321552048 884498948 /nfs/dbraw/zinc/49/89/48/884498948.db2.gz NLGPTLLOJNZGCV-SSDOTTSWSA-N 0 3 267.289 -1.364 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cc2n(n1)CCO2 ZINC001321543106 884499381 /nfs/dbraw/zinc/49/93/81/884499381.db2.gz GFTLMKFKBBEJEX-SSDOTTSWSA-N 0 3 267.289 -1.531 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001321533545 884499685 /nfs/dbraw/zinc/49/96/85/884499685.db2.gz YYNCZMSZTFXCIP-RNFRBKRXSA-N 0 3 259.310 -2.117 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCc1c[nH]cn1 ZINC001321532458 884499944 /nfs/dbraw/zinc/49/99/44/884499944.db2.gz HMJADASCBRWIKC-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@H](CNCCF)NC(=O)CN1CCN(C)C(=O)C1 ZINC001321560004 884501236 /nfs/dbraw/zinc/50/12/36/884501236.db2.gz KSAQVZPCIZIOOK-SNVBAGLBSA-N 0 3 274.340 -1.176 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)Cn1ncnn1 ZINC001321522109 884501284 /nfs/dbraw/zinc/50/12/84/884501284.db2.gz CSGOFFAIBROLFS-SFYZADRCSA-N 0 3 295.303 -2.427 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CCNC1=O ZINC001321610155 884501914 /nfs/dbraw/zinc/50/19/14/884501914.db2.gz UTMHNKBDUQMLEC-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CCNC1=O ZINC001321610227 884502552 /nfs/dbraw/zinc/50/25/52/884502552.db2.gz WGGZMQFJDXHUGL-PSASIEDQSA-N 0 3 282.344 -1.505 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1CCNC1=O ZINC001321610489 884503005 /nfs/dbraw/zinc/50/30/05/884503005.db2.gz YKCHPQDUWACNBX-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCc1cncnc1 ZINC001321590327 884503873 /nfs/dbraw/zinc/50/38/73/884503873.db2.gz YEIMIQWIKMVMBE-SECBINFHSA-N 0 3 265.317 -1.011 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001321628254 884506220 /nfs/dbraw/zinc/50/62/20/884506220.db2.gz PZVWLDHNGLFTGF-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@]1(C)CCNC1=O ZINC001321645398 884507007 /nfs/dbraw/zinc/50/70/07/884507007.db2.gz JPLCVHFUZIXIMW-PRHODGIISA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)C1(C(N)=O)CC1 ZINC001321628223 884507269 /nfs/dbraw/zinc/50/72/69/884507269.db2.gz OOHXNXJFVZFAKI-SECBINFHSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@H](CNCc1nncn1C)NC(=O)c1ncn[nH]1 ZINC001321681131 884508862 /nfs/dbraw/zinc/50/88/62/884508862.db2.gz RKKHEESZJVLCIX-SSDOTTSWSA-N 0 3 264.293 -1.159 20 0 CAADHN C[C@H](CNCc1nncn1C)NC(=O)c1nc[nH]n1 ZINC001321681131 884508874 /nfs/dbraw/zinc/50/88/74/884508874.db2.gz RKKHEESZJVLCIX-SSDOTTSWSA-N 0 3 264.293 -1.159 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCn1cnnn1 ZINC001321684580 884509907 /nfs/dbraw/zinc/50/99/07/884509907.db2.gz MKLLERKBRJDEKL-MRVPVSSYSA-N 0 3 269.309 -2.097 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cccnn1 ZINC001321686248 884510416 /nfs/dbraw/zinc/51/04/16/884510416.db2.gz UULGKJZZOZFFCQ-RKDXNWHRSA-N 0 3 291.311 -1.010 20 0 CAADHN NS(=O)(=O)C[C@@H]1CCCN(CCOCCO)C1 ZINC001321663801 884510820 /nfs/dbraw/zinc/51/08/20/884510820.db2.gz ZIYUFYOJLXOHHL-SNVBAGLBSA-N 0 3 266.363 -1.004 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CC(=O)NCC(F)(F)F ZINC001321697016 884512282 /nfs/dbraw/zinc/51/22/82/884512282.db2.gz QEDIDAQSDVCCCK-ZCFIWIBFSA-N 0 3 298.265 -1.365 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCNC(N)=O ZINC001321735432 884513030 /nfs/dbraw/zinc/51/30/30/884513030.db2.gz FVRKIZQOPIBZNT-SSDOTTSWSA-N 0 3 259.310 -2.115 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN1C(=O)CNC1=O ZINC001321735019 884513084 /nfs/dbraw/zinc/51/30/84/884513084.db2.gz ADYSDKOXHZMYNP-ZCFIWIBFSA-N 0 3 271.277 -2.882 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1ccn(C)n1 ZINC001321740134 884513156 /nfs/dbraw/zinc/51/31/56/884513156.db2.gz SQCXHYZMZGAHEJ-BDAKNGLRSA-N 0 3 293.327 -1.067 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccn(C)n1 ZINC001321740676 884516785 /nfs/dbraw/zinc/51/67/85/884516785.db2.gz ZUQYUDSYMVZESZ-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)Cn1cnnn1 ZINC001321789612 884516982 /nfs/dbraw/zinc/51/69/82/884516982.db2.gz OEDBPICGOPDZQA-JGVFFNPUSA-N 0 3 269.309 -2.098 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1ncn(C)n1 ZINC001321843006 884522925 /nfs/dbraw/zinc/52/29/25/884522925.db2.gz IUNZIPZPWCALRB-JGVFFNPUSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@@H](CNCCNS(C)(=O)=O)NC(=O)c1ncc[nH]1 ZINC001321843297 884523075 /nfs/dbraw/zinc/52/30/75/884523075.db2.gz OZCIOOQYYWEJFQ-QMMMGPOBSA-N 0 3 289.361 -1.333 20 0 CAADHN Cc1ncn(C)c1C(=O)N[C@@H](C)CNCC(N)=O ZINC001321877882 884523625 /nfs/dbraw/zinc/52/36/25/884523625.db2.gz HAQRPAQYAKJSLY-ZETCQYMHSA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1ncn(C)n1 ZINC001321843007 884524375 /nfs/dbraw/zinc/52/43/75/884524375.db2.gz IUNZIPZPWCALRB-YUMQZZPRSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001321876474 884524476 /nfs/dbraw/zinc/52/44/76/884524476.db2.gz SJIOCOZZRBCOHD-YUMQZZPRSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cn(C)nn1 ZINC001321843248 884524619 /nfs/dbraw/zinc/52/46/19/884524619.db2.gz ODDQOBKTIUIGTH-JGVFFNPUSA-N 0 3 294.315 -1.672 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCNC1=O ZINC001321878093 884526881 /nfs/dbraw/zinc/52/68/81/884526881.db2.gz KCICRQBJPHXNTJ-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C(C)(C)C)C1=O)NC(=O)C(N)=O ZINC001321966702 884529319 /nfs/dbraw/zinc/52/93/19/884529319.db2.gz SXOCWIROISPCCS-IUCAKERBSA-N 0 3 284.360 -1.035 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCN(C)C1=O ZINC001321956054 884529616 /nfs/dbraw/zinc/52/96/16/884529616.db2.gz MMKMWZRAXSTOAG-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001321946684 884530110 /nfs/dbraw/zinc/53/01/10/884530110.db2.gz JVTKSZKOXJXDBK-ZETCQYMHSA-N 0 3 269.305 -1.420 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H](C)CNCCF ZINC001321937746 884530968 /nfs/dbraw/zinc/53/09/68/884530968.db2.gz QVQKKUYNDOAXMC-ZETCQYMHSA-N 0 3 270.330 -1.896 20 0 CAADHN C[C@@H](CNCCS(C)(=O)=O)NC(=O)[C@@H](C)CC(N)=O ZINC001321946299 884531104 /nfs/dbraw/zinc/53/11/04/884531104.db2.gz FWSJHYIEAAMDQY-IUCAKERBSA-N 0 3 293.389 -1.363 20 0 CAADHN Cc1nnc(CNC(=O)C(=O)N(C)CCN(C)C)n1C ZINC001322021889 884534074 /nfs/dbraw/zinc/53/40/74/884534074.db2.gz YSHUAQPOVOHBOX-UHFFFAOYSA-N 0 3 282.348 -1.240 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)Cn1cncn1 ZINC001322068406 884536313 /nfs/dbraw/zinc/53/63/13/884536313.db2.gz AQVMQKAEWRUWMZ-IUCAKERBSA-N 0 3 294.315 -1.822 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)Cn1cncn1 ZINC001322068387 884536937 /nfs/dbraw/zinc/53/69/37/884536937.db2.gz AQVMQKAEWRUWMZ-DTWKUNHWSA-N 0 3 294.315 -1.822 20 0 CAADHN Cc1nonc1C(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001322093010 884537941 /nfs/dbraw/zinc/53/79/41/884537941.db2.gz ATTPWUOHVCGVDT-XPUUQOCRSA-N 0 3 267.289 -1.026 20 0 CAADHN C[C@@H](CN(C)[C@H]1CCNC1=O)NC(=O)c1cn[nH]n1 ZINC001322192245 884541684 /nfs/dbraw/zinc/54/16/84/884541684.db2.gz GGTUVEVCRBDLTR-CBAPKCEASA-N 0 3 266.305 -1.257 20 0 CAADHN CC(C)COC[C@H](O)CN(C)C[C@@H](C)NC(=O)C(N)=O ZINC001322239274 884546467 /nfs/dbraw/zinc/54/64/67/884546467.db2.gz ZAHBXFAFGJQPJX-GHMZBOCLSA-N 0 3 289.376 -1.058 20 0 CAADHN COCCOCCN(C)C[C@@H](C)NC(=O)C(N)=O ZINC001322236358 884546736 /nfs/dbraw/zinc/54/67/36/884546736.db2.gz KSOUXYHLRCJAOM-SECBINFHSA-N 0 3 261.322 -1.429 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCCn1cncn1 ZINC001322501607 884556383 /nfs/dbraw/zinc/55/63/83/884556383.db2.gz DMKMGDRHMLVEPR-UHFFFAOYSA-N 0 3 294.359 -1.053 20 0 CAADHN CN(CCCNCc1cnnn1C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001322694715 884569727 /nfs/dbraw/zinc/56/97/27/884569727.db2.gz TXXQWIUECYYVND-MNOVXSKESA-N 0 3 294.359 -1.125 20 0 CAADHN CN1CCN(CC(=O)NC[C@@H]2CN(C)CCN2C)CC1 ZINC001322733585 884574542 /nfs/dbraw/zinc/57/45/42/884574542.db2.gz YKPDPCKDSRUDKG-CYBMUJFWSA-N 0 3 283.420 -1.404 20 0 CAADHN CCN1CCN(CCC(=O)N[C@H]2CCC(=O)NC2=O)CC1 ZINC001322781413 884577974 /nfs/dbraw/zinc/57/79/74/884577974.db2.gz QDWVJUFLZJUGEP-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN O[C@@H]1C[C@H](O)CN(CCN2C[C@H](O)C[C@H](O)C2)C1 ZINC001322787168 884578598 /nfs/dbraw/zinc/57/85/98/884578598.db2.gz VQBAMTGPTBUDMU-BKUVIOGVSA-N 0 3 260.334 -2.159 20 0 CAADHN CN1CC[C@H](NC[C@H](NC(=O)CC(N)=O)C2CC2)C1=O ZINC001322977917 884589531 /nfs/dbraw/zinc/58/95/31/884589531.db2.gz ZRSXGNPFLJRKRL-UWVGGRQHSA-N 0 3 282.344 -1.423 20 0 CAADHN NC(=O)CC(=O)N[C@H](CNCC(=O)NC1CC1)C1CC1 ZINC001322976283 884589893 /nfs/dbraw/zinc/58/98/93/884589893.db2.gz PMELJGLHTCCICN-SNVBAGLBSA-N 0 3 282.344 -1.375 20 0 CAADHN CC(C)(C(N)=O)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001323016434 884593650 /nfs/dbraw/zinc/59/36/50/884593650.db2.gz WYOGXIFHRDZFSL-QMMMGPOBSA-N 0 3 270.333 -1.532 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)C(N)=O)C1CC1 ZINC001323066807 884597305 /nfs/dbraw/zinc/59/73/05/884597305.db2.gz OUUPVRMLTJCUOS-QMMMGPOBSA-N 0 3 256.306 -1.956 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001323062190 884597692 /nfs/dbraw/zinc/59/76/92/884597692.db2.gz BVKAAJRWFHSGDD-VIFPVBQESA-N 0 3 282.344 -1.518 20 0 CAADHN NC(=O)CC(=O)NC[C@H]1CCN1C[C@H]1CCNC(=O)CC1 ZINC001323210279 884602986 /nfs/dbraw/zinc/60/29/86/884602986.db2.gz IQPMMAXKNFEKJX-GHMZBOCLSA-N 0 3 296.371 -1.031 20 0 CAADHN Nc1nnc(CNC(=O)[C@H]2CN3CCN2CCC3)o1 ZINC001323296257 884611821 /nfs/dbraw/zinc/61/18/21/884611821.db2.gz AKOJSSQTHSCMFA-MRVPVSSYSA-N 0 3 266.305 -1.342 20 0 CAADHN NC(=O)NC(=O)OCCCN1CC[C@H](NC(N)=O)C1 ZINC001323381756 884613264 /nfs/dbraw/zinc/61/32/64/884613264.db2.gz ZCJQXOYMYFDXQK-ZETCQYMHSA-N 0 3 273.293 -1.076 20 0 CAADHN OC[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C[C@H]1O ZINC001323419317 884618522 /nfs/dbraw/zinc/61/85/22/884618522.db2.gz PBJSXHFLKKNBOK-QJPTWQEYSA-N 0 3 255.318 -1.081 20 0 CAADHN OC[C@@H]1CCN(C[C@H](O)Cn2cccn2)C[C@H]1O ZINC001323419318 884618624 /nfs/dbraw/zinc/61/86/24/884618624.db2.gz PBJSXHFLKKNBOK-SDDRHHMPSA-N 0 3 255.318 -1.081 20 0 CAADHN CN(CCNC(=O)C(=O)N[C@@H]1CCN(C)C1=O)C1CC1 ZINC001323503183 884621085 /nfs/dbraw/zinc/62/10/85/884621085.db2.gz XKASDOOHQVMAGI-SNVBAGLBSA-N 0 3 282.344 -1.456 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001323633218 884627615 /nfs/dbraw/zinc/62/76/15/884627615.db2.gz CIDTZSCCLZZGBH-HBNTYKKESA-N 0 3 267.329 -1.068 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H](CO)CN1CCCC1 ZINC001323633998 884628551 /nfs/dbraw/zinc/62/85/51/884628551.db2.gz VWLHCVODXVQZDJ-IUCAKERBSA-N 0 3 284.316 -1.843 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001323633220 884628818 /nfs/dbraw/zinc/62/88/18/884628818.db2.gz CIDTZSCCLZZGBH-OUAUKWLOSA-N 0 3 267.329 -1.068 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1ccc(C(N)=O)nc1 ZINC001324072514 884646921 /nfs/dbraw/zinc/64/69/21/884646921.db2.gz TZSJNWRAIRFOGY-SECBINFHSA-N 0 3 266.301 -1.167 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1ccc(C(N)=O)nc1 ZINC001324072515 884648089 /nfs/dbraw/zinc/64/80/89/884648089.db2.gz TZSJNWRAIRFOGY-VIFPVBQESA-N 0 3 266.301 -1.167 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@H]1CNCC(=O)N1CCC1 ZINC001324130849 884652156 /nfs/dbraw/zinc/65/21/56/884652156.db2.gz SJIJECHVZCCXGB-JTQLQIEISA-N 0 3 282.344 -1.325 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCCNC1=O ZINC001324175992 884653766 /nfs/dbraw/zinc/65/37/66/884653766.db2.gz QUMBNUBJYCKYKP-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC001324218943 884653807 /nfs/dbraw/zinc/65/38/07/884653807.db2.gz BEBGINIIXSZZQL-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001324206227 884654223 /nfs/dbraw/zinc/65/42/23/884654223.db2.gz HHQYGBULDQQQKN-QMMMGPOBSA-N 0 3 266.305 -1.207 20 0 CAADHN CN(CC1CC1)C(=O)CNC[C@@H]1CCCN1C(=O)C(N)=O ZINC001324220082 884657627 /nfs/dbraw/zinc/65/76/27/884657627.db2.gz HBGKZKUSNRQJEA-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)NC(=O)CN(CCO)C1CCOCC1 ZINC001324302523 884660970 /nfs/dbraw/zinc/66/09/70/884660970.db2.gz REGKNAJYDNMPTK-UHFFFAOYSA-N 0 3 259.306 -1.085 20 0 CAADHN O=S1(=O)C[C@H](NCCCO)[C@H](N2CCOCC2)C1 ZINC001324284674 884661044 /nfs/dbraw/zinc/66/10/44/884661044.db2.gz DHIZTPAFJRYBEV-WDEREUQCSA-N 0 3 278.374 -1.544 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cnnn1C ZINC001324585579 884679166 /nfs/dbraw/zinc/67/91/66/884679166.db2.gz AJJMXPFFSHDHKR-UHFFFAOYSA-N 0 3 298.347 -1.210 20 0 CAADHN Cn1cnnc1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC001324578151 884679272 /nfs/dbraw/zinc/67/92/72/884679272.db2.gz SCXFIWSVHFTABN-JTQLQIEISA-N 0 3 264.333 -1.179 20 0 CAADHN C[C@]1(NC(=O)C[C@@H]2CC(=O)NC2=O)CCN(CCO)C1 ZINC001324681142 884686019 /nfs/dbraw/zinc/68/60/19/884686019.db2.gz SZQDQPTWYZRIEF-ZANVPECISA-N 0 3 283.328 -1.388 20 0 CAADHN C[C@]1(NC(=O)CN2C(=O)CCC2=O)CCN(CCO)C1 ZINC001324673322 884687056 /nfs/dbraw/zinc/68/70/56/884687056.db2.gz LOJSJNQRGDVREB-ZDUSSCGKSA-N 0 3 283.328 -1.292 20 0 CAADHN C[C@@]1(NC(=O)C[C@@H]2CC(=O)NC2=O)CCN(CCO)C1 ZINC001324681141 884687831 /nfs/dbraw/zinc/68/78/31/884687831.db2.gz SZQDQPTWYZRIEF-TVQRCGJNSA-N 0 3 283.328 -1.388 20 0 CAADHN C[C@@]1(C[NH2+]CC(N)=O)CCN(C(=O)c2nc[n-]n2)C1 ZINC001324804637 884689250 /nfs/dbraw/zinc/68/92/50/884689250.db2.gz SGZVAXCGRQVEIR-NSHDSACASA-N 0 3 266.305 -1.268 20 0 CAADHN CC1(CNC(=O)CC(N)=O)CCN([C@@H]2CCNC2=O)CC1 ZINC001324851919 884694249 /nfs/dbraw/zinc/69/42/49/884694249.db2.gz FLWUVQJPTNSSNO-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1nnn(C)n1 ZINC001324843835 884694439 /nfs/dbraw/zinc/69/44/39/884694439.db2.gz AOGUPLNLHRRRSM-SECBINFHSA-N 0 3 295.347 -1.573 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CCNC2=O)CCOCC1 ZINC001325016845 884700020 /nfs/dbraw/zinc/70/00/20/884700020.db2.gz SBLWVKYLRVTFGT-SECBINFHSA-N 0 3 298.343 -2.137 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CCNC2=O)CCOCC1 ZINC001325016857 884700311 /nfs/dbraw/zinc/70/03/11/884700311.db2.gz SBLWVKYLRVTFGT-VIFPVBQESA-N 0 3 298.343 -2.137 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)CC(N)=O)C1 ZINC001325086570 884703700 /nfs/dbraw/zinc/70/37/00/884703700.db2.gz QJNRIZMXRZEYDR-NSHDSACASA-N 0 3 259.306 -1.939 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cncnc1 ZINC001325081987 884704457 /nfs/dbraw/zinc/70/44/57/884704457.db2.gz LZGNOFOCTUNJGB-GFCCVEGCSA-N 0 3 266.301 -1.365 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001325271641 884727084 /nfs/dbraw/zinc/72/70/84/884727084.db2.gz USLXVQRUESACAT-WDEREUQCSA-N 0 3 255.318 -1.210 20 0 CAADHN NC(=O)NC(=O)OCCCN1CC[C@H](CO)[C@H](O)C1 ZINC001325346696 884730442 /nfs/dbraw/zinc/73/04/42/884730442.db2.gz YLIJTNNLSZYERO-RKDXNWHRSA-N 0 3 275.305 -1.144 20 0 CAADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)NC)CC1 ZINC001325661922 884736349 /nfs/dbraw/zinc/73/63/49/884736349.db2.gz HWPHOVFVLPHJMV-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN COC[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)OC ZINC001325703987 884740141 /nfs/dbraw/zinc/74/01/41/884740141.db2.gz ZMMXQOKOONBPQN-SNVBAGLBSA-N 0 3 275.349 -1.216 20 0 CAADHN COCCOC[C@H](O)CNC[C@@H]1CC(C(N)=O)=NO1 ZINC001325843512 884743613 /nfs/dbraw/zinc/74/36/13/884743613.db2.gz CEQZQGMXQZXLPB-BDAKNGLRSA-N 0 3 275.305 -1.770 20 0 CAADHN COCCOC[C@H](O)CNC[C@H]1CC(C(N)=O)=NO1 ZINC001325843515 884745637 /nfs/dbraw/zinc/74/56/37/884745637.db2.gz CEQZQGMXQZXLPB-RKDXNWHRSA-N 0 3 275.305 -1.770 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC001325854982 884747449 /nfs/dbraw/zinc/74/74/49/884747449.db2.gz BEXRJZWHFVQRJV-ZJUUUORDSA-N 0 3 255.318 -1.041 20 0 CAADHN CNS(=O)(=O)CCNCCC(=O)NC(N)=O ZINC001325878308 884747953 /nfs/dbraw/zinc/74/79/53/884747953.db2.gz HZKNIHTUNWVPON-UHFFFAOYSA-N 0 3 252.296 -2.290 20 0 CAADHN C[C@@H](CS(C)(=O)=O)NCCC(=O)NC(N)=O ZINC001325870129 884748260 /nfs/dbraw/zinc/74/82/60/884748260.db2.gz BULCNBXATCZPFY-LURJTMIESA-N 0 3 251.308 -1.406 20 0 CAADHN O=C(N[C@@]1(CO)CCCN(CCCO)C1)[C@H]1CCNC1=O ZINC001325849660 884748912 /nfs/dbraw/zinc/74/89/12/884748912.db2.gz UCCQUMGHIMKIHZ-FZMZJTMJSA-N 0 3 299.371 -1.552 20 0 CAADHN NC(=O)NC(=O)CNCCN(CCO)C(=O)CC1CC1 ZINC001325957813 884750606 /nfs/dbraw/zinc/75/06/06/884750606.db2.gz QSILGGQSBZTNCZ-UHFFFAOYSA-N 0 3 286.332 -1.608 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(CCO)CCNCC(N)=O ZINC001325969103 884751038 /nfs/dbraw/zinc/75/10/38/884751038.db2.gz FTEIXOTZNQUJBE-QMMMGPOBSA-N 0 3 274.321 -2.593 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1ccncc1 ZINC001325957778 884752387 /nfs/dbraw/zinc/75/23/87/884752387.db2.gz PEDCZOBBQMEFNU-UHFFFAOYSA-N 0 3 266.301 -1.409 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@H]1CCCO1 ZINC001325969797 884752842 /nfs/dbraw/zinc/75/28/42/884752842.db2.gz VYBFTJMLIUKLBY-SECBINFHSA-N 0 3 259.306 -1.939 20 0 CAADHN CC(=O)NCC(=O)N(CCO)CCNCC(N)=O ZINC001325972335 884753676 /nfs/dbraw/zinc/75/36/76/884753676.db2.gz SRAGLFAYKDHTOW-UHFFFAOYSA-N 0 3 260.294 -2.982 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)c1cncnc1 ZINC001326009437 884754275 /nfs/dbraw/zinc/75/42/75/884754275.db2.gz PNZYMYKMNSNSCD-UHFFFAOYSA-N 0 3 295.343 -1.363 20 0 CAADHN O=C(CNCCN(CCO)C(=O)c1cocn1)NC1CC1 ZINC001325987958 884754488 /nfs/dbraw/zinc/75/44/88/884754488.db2.gz DOHFAFVNABXBFZ-UHFFFAOYSA-N 0 3 296.327 -1.023 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C1CC(F)(F)C1 ZINC001326002529 884755002 /nfs/dbraw/zinc/75/50/02/884755002.db2.gz ZHBDNUXGWBKFKG-UHFFFAOYSA-N 0 3 279.287 -1.073 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N1CC(CO)C1 ZINC001326013375 884756594 /nfs/dbraw/zinc/75/65/94/884756594.db2.gz NNQFSGYDKVLBQJ-NEPJUHHUSA-N 0 3 297.355 -1.584 20 0 CAADHN CCc1nc(C(=O)N(CCO)CCNCC(N)=O)co1 ZINC001326009100 884757162 /nfs/dbraw/zinc/75/71/62/884757162.db2.gz KNWCJWHTCRUTQI-UHFFFAOYSA-N 0 3 284.316 -1.254 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1ccns1 ZINC001326033326 884759016 /nfs/dbraw/zinc/75/90/16/884759016.db2.gz QMNVVAJBIDJWRG-UHFFFAOYSA-N 0 3 272.330 -1.348 20 0 CAADHN NC1(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC001326106076 884767362 /nfs/dbraw/zinc/76/73/62/884767362.db2.gz DGBCYRXBYOEHAV-UHFFFAOYSA-N 0 3 288.329 -1.299 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C[C@H]1CCOC1 ZINC001326085219 884767410 /nfs/dbraw/zinc/76/74/10/884767410.db2.gz CODRDBSDCCUJDO-SNVBAGLBSA-N 0 3 273.333 -1.691 20 0 CAADHN Cc1ccnn1CC(=O)N(CCO)CCNCC(N)=O ZINC001326102731 884767943 /nfs/dbraw/zinc/76/79/43/884767943.db2.gz JRSYCAMBBVRBDW-UHFFFAOYSA-N 0 3 283.332 -1.913 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1ccc(=O)[nH]c1 ZINC001326145250 884768842 /nfs/dbraw/zinc/76/88/42/884768842.db2.gz ARVFWCRQCOMOSV-UHFFFAOYSA-N 0 3 296.327 -1.443 20 0 CAADHN Cn1cccc(C(=O)N(CCO)CCNCC(N)=O)c1=O ZINC001326134182 884768991 /nfs/dbraw/zinc/76/89/91/884768991.db2.gz CEVWLZFDELVUGK-UHFFFAOYSA-N 0 3 296.327 -2.105 20 0 CAADHN COc1cccc(C(=O)N(CCO)CCNCC(N)=O)n1 ZINC001326121916 884770550 /nfs/dbraw/zinc/77/05/50/884770550.db2.gz NPKGSRJXAQCPLW-UHFFFAOYSA-N 0 3 296.327 -1.400 20 0 CAADHN NC(=O)C1=NO[C@H](CNC[C@@H](O)Cn2cccn2)C1 ZINC001326155302 884770619 /nfs/dbraw/zinc/77/06/19/884770619.db2.gz DEDDMMHIEOYCMQ-BDAKNGLRSA-N 0 3 267.289 -1.536 20 0 CAADHN C[C@H]1OCC[C@@H]1C(=O)N(CCO)CCNCC(N)=O ZINC001326120493 884770938 /nfs/dbraw/zinc/77/09/38/884770938.db2.gz ZQGHYZLMEFSBND-ZJUUUORDSA-N 0 3 273.333 -1.693 20 0 CAADHN C[C@H]1OCC[C@H]1C(=O)N(CCO)CCNCC(N)=O ZINC001326120490 884771398 /nfs/dbraw/zinc/77/13/98/884771398.db2.gz ZQGHYZLMEFSBND-NXEZZACHSA-N 0 3 273.333 -1.693 20 0 CAADHN CCN(OC)C(=O)CNC(=O)C(=O)N(C)CCN(C)C ZINC001326155481 884771520 /nfs/dbraw/zinc/77/15/20/884771520.db2.gz DUZXQDDEIYNMFH-UHFFFAOYSA-N 0 3 288.348 -1.468 20 0 CAADHN CCOC(=O)CC[C@@H](O)CN[C@@H](CO)C(=O)NC ZINC001326230470 884777761 /nfs/dbraw/zinc/77/77/61/884777761.db2.gz CZFVFVNUOAKIJJ-BDAKNGLRSA-N 0 3 262.306 -1.613 20 0 CAADHN COC(=O)c1cn(CCNC(=O)C2(N)CC2)nn1 ZINC001326292795 884779226 /nfs/dbraw/zinc/77/92/26/884779226.db2.gz KULPVCUQZFGVBT-UHFFFAOYSA-N 0 3 253.262 -1.328 20 0 CAADHN COC(=O)c1cnn(C)c1NC(=O)C(=O)NCCN(C)C ZINC001326274585 884779620 /nfs/dbraw/zinc/77/96/20/884779620.db2.gz LWOPVNCJRZUWSI-UHFFFAOYSA-N 0 3 297.315 -1.177 20 0 CAADHN Cn1ccnc1[C@@H]1CNCCN1CC(=O)NC(N)=O ZINC001326278389 884779700 /nfs/dbraw/zinc/77/97/00/884779700.db2.gz UEMYUZKYROGHBN-QMMMGPOBSA-N 0 3 266.305 -1.439 20 0 CAADHN Cn1ccnc1[C@H]1CNCCN1CC(=O)NC(N)=O ZINC001326278388 884780307 /nfs/dbraw/zinc/78/03/07/884780307.db2.gz UEMYUZKYROGHBN-MRVPVSSYSA-N 0 3 266.305 -1.439 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC001326340011 884783979 /nfs/dbraw/zinc/78/39/79/884783979.db2.gz FWUCXTKCWHWHKP-MRVPVSSYSA-N 0 3 264.351 -2.234 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)[C@@H](N)CC(F)F)CCO1 ZINC001326353666 884787627 /nfs/dbraw/zinc/78/76/27/884787627.db2.gz NHYFRUPSCYHSMX-NKWVEPMBSA-N 0 3 265.260 -1.058 20 0 CAADHN NC(=O)Cn1ccc(NC(=O)C[C@H]2CNCCO2)n1 ZINC001326346291 884787682 /nfs/dbraw/zinc/78/76/82/884787682.db2.gz DEKXHSMTDQYYNS-QMMMGPOBSA-N 0 3 267.289 -1.315 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)[C@H](N)CC(F)F)CCO1 ZINC001326353668 884788520 /nfs/dbraw/zinc/78/85/20/884788520.db2.gz NHYFRUPSCYHSMX-RNFRBKRXSA-N 0 3 265.260 -1.058 20 0 CAADHN CS(=O)(=O)CCOCCNC(=O)C[C@H]1CNCCO1 ZINC001326597311 884810060 /nfs/dbraw/zinc/81/00/60/884810060.db2.gz AMZLZGNDJJCURV-JTQLQIEISA-N 0 3 294.373 -1.458 20 0 CAADHN CC[C@H](N)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC001326597945 884812885 /nfs/dbraw/zinc/81/28/85/884812885.db2.gz JFQZNZMKGMELHN-VIFPVBQESA-N 0 3 290.345 -1.053 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCc1cn(C)nn1 ZINC001326650097 884818281 /nfs/dbraw/zinc/81/82/81/884818281.db2.gz LKYBUZRCOGXRQT-UHFFFAOYSA-N 0 3 294.359 -1.016 20 0 CAADHN CCNC(=O)CC(=O)NCC1(NCC(=O)NC)CCC1 ZINC001326809121 884836435 /nfs/dbraw/zinc/83/64/35/884836435.db2.gz JMLNXLFSJUIVKI-UHFFFAOYSA-N 0 3 284.360 -1.113 20 0 CAADHN NC(=O)[C@@]1(NC(=O)C[C@@H]2CNCCO2)CCOC1 ZINC001326828120 884837778 /nfs/dbraw/zinc/83/77/78/884837778.db2.gz IINDVWLVDNSIKS-LDYMZIIASA-N 0 3 257.290 -1.875 20 0 CAADHN CCN1CCN(CCNC(=O)CN2CCN(C)CC2)CC1 ZINC001326839871 884838390 /nfs/dbraw/zinc/83/83/90/884838390.db2.gz BMPLPSJRBPIUGB-UHFFFAOYSA-N 0 3 297.447 -1.013 20 0 CAADHN NC(=O)[C@]1(NC(=O)C[C@@H]2CNCCO2)CCOC1 ZINC001326828117 884838801 /nfs/dbraw/zinc/83/88/01/884838801.db2.gz IINDVWLVDNSIKS-KCJUWKMLSA-N 0 3 257.290 -1.875 20 0 CAADHN NCC(=O)NCC(=O)NCCN1CCCOCC1 ZINC001327106786 884863740 /nfs/dbraw/zinc/86/37/40/884863740.db2.gz HHCHPESWNWLWRZ-UHFFFAOYSA-N 0 3 258.322 -2.100 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CCC(O)(CO)CC1 ZINC001327305291 884880101 /nfs/dbraw/zinc/88/01/01/884880101.db2.gz XCDCUJMOHBPPPN-UHFFFAOYSA-N 0 3 287.360 -1.648 20 0 CAADHN CN(Cc1cn(C)nn1)C(=O)NC[C@H]1CNCCO1 ZINC001327470172 884890808 /nfs/dbraw/zinc/89/08/08/884890808.db2.gz BHRADZYWNDDERE-SNVBAGLBSA-N 0 3 268.321 -1.055 20 0 CAADHN Cc1cnn(C)c1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001327484929 884893953 /nfs/dbraw/zinc/89/39/53/884893953.db2.gz BKQRNMRBTJDHBX-VIFPVBQESA-N 0 3 281.316 -1.228 20 0 CAADHN CCS(=O)(=O)C1(CNC(=O)C(=O)N(C)CCN)CC1 ZINC001327500335 884894841 /nfs/dbraw/zinc/89/48/41/884894841.db2.gz TXUMAPNIWBJTKC-UHFFFAOYSA-N 0 3 291.373 -1.513 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)C(=O)N(C)CCN)CS1(=O)=O ZINC001327524700 884897252 /nfs/dbraw/zinc/89/72/52/884897252.db2.gz QJEMINBUTWFBRU-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC001327533327 884898024 /nfs/dbraw/zinc/89/80/24/884898024.db2.gz RBRUPIHYKXVTIV-HTQZYQBOSA-N 0 3 279.362 -1.659 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001327595852 884907940 /nfs/dbraw/zinc/90/79/40/884907940.db2.gz QRTQKMZZPITUBH-NSHDSACASA-N 0 3 269.305 -1.646 20 0 CAADHN NC[C@@H]1CC(C(=O)N2CCS(=O)(=O)CC2)=NO1 ZINC001327597353 884911011 /nfs/dbraw/zinc/91/10/11/884911011.db2.gz RBELHMCFUXIEGT-ZETCQYMHSA-N 0 3 261.303 -1.653 20 0 CAADHN NC(=O)Cn1cc(CN2CC[C@@H](F)[C@H](N)C2)nn1 ZINC001327633456 884912419 /nfs/dbraw/zinc/91/24/19/884912419.db2.gz VQNRBXHNIFQNKR-RKDXNWHRSA-N 0 3 256.285 -1.366 20 0 CAADHN O=C(CCn1ccnn1)N1CCOC2(CNC2)C1 ZINC001327658636 884918218 /nfs/dbraw/zinc/91/82/18/884918218.db2.gz ORDSWCKUJFEWMG-UHFFFAOYSA-N 0 3 251.290 -1.131 20 0 CAADHN CNC(=O)NCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001327653218 884918682 /nfs/dbraw/zinc/91/86/82/884918682.db2.gz FMOPTTILBFTFFS-DTWKUNHWSA-N 0 3 256.306 -1.807 20 0 CAADHN C[C@H](CN1CCN(C)CC1)NC(=O)CN1CCN(C)CC1 ZINC001327751848 884926104 /nfs/dbraw/zinc/92/61/04/884926104.db2.gz MDQPNOMHJVZGPN-CQSZACIVSA-N 0 3 297.447 -1.014 20 0 CAADHN CN(CCNC(=O)C(=O)NCc1ncn(C)n1)C1CC1 ZINC001327824640 884928782 /nfs/dbraw/zinc/92/87/82/884928782.db2.gz XSZGVOGDPPLLFT-UHFFFAOYSA-N 0 3 280.332 -1.358 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)Nc1ncn(C)n1 ZINC001327828071 884929054 /nfs/dbraw/zinc/92/90/54/884929054.db2.gz UIDAMRBPCKRUMD-UHFFFAOYSA-N 0 3 254.294 -1.226 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC001327839765 884932712 /nfs/dbraw/zinc/93/27/12/884932712.db2.gz AZSPHRKHQSDPAR-RNFRBKRXSA-N 0 3 265.335 -2.001 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N[C@@H](CN)C1CC1)S(C)(=O)=O ZINC001327840733 884933161 /nfs/dbraw/zinc/93/31/61/884933161.db2.gz IUIVYBNEYNKGPN-CBAPKCEASA-N 0 3 291.373 -1.611 20 0 CAADHN O=C(NC[C@@H]1CCCO1)C(=O)NC[C@@H]1CNCCO1 ZINC001327840962 884933444 /nfs/dbraw/zinc/93/34/44/884933444.db2.gz KDYQTPYKFNSNMU-UWVGGRQHSA-N 0 3 271.317 -1.614 20 0 CAADHN CN(CCNS(C)(=O)=O)C[C@H]1CNCCO1 ZINC001327917005 884940302 /nfs/dbraw/zinc/94/03/02/884940302.db2.gz JIWQNAGXKPZURA-SECBINFHSA-N 0 3 251.352 -1.544 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)C2(C(=O)NC)CC2)C[C@H]1C ZINC001327922851 884939974 /nfs/dbraw/zinc/93/99/74/884939974.db2.gz HPPHQRWUZCBQBH-ZJUUUORDSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@]1(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC[NH2+]C1 ZINC001327945447 884943207 /nfs/dbraw/zinc/94/32/07/884943207.db2.gz LPCXJHDDQHUGNB-JTQLQIEISA-N 0 3 253.262 -1.048 20 0 CAADHN CCS(=O)(=O)C[C@H](C)NCCC(=O)NC(N)=O ZINC001327979214 884947073 /nfs/dbraw/zinc/94/70/73/884947073.db2.gz UYXVLYAHIXOOBI-ZETCQYMHSA-N 0 3 265.335 -1.016 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1CCC(O)(CNCCF)CC1 ZINC001328197934 884958965 /nfs/dbraw/zinc/95/89/65/884958965.db2.gz FUPLXSYRYOHRLZ-SECBINFHSA-N 0 3 288.323 -1.420 20 0 CAADHN Cn1nnnc1CNC(=O)CNC[C@H]1CCCO1 ZINC001328206579 884959254 /nfs/dbraw/zinc/95/92/54/884959254.db2.gz ZLZAZKRRGKJHDF-MRVPVSSYSA-N 0 3 254.294 -1.405 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCNC(=O)CC2)C1 ZINC001328276051 884963056 /nfs/dbraw/zinc/96/30/56/884963056.db2.gz JXRNWTBFOKZDEJ-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CCNC2=O)C1 ZINC001328276152 884965930 /nfs/dbraw/zinc/96/59/30/884965930.db2.gz MKGSPAYHUBJNFR-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CCNC(=O)CCc1nnc[n-]1)[NH2+]CC(N)=O ZINC001328322382 884968277 /nfs/dbraw/zinc/96/82/77/884968277.db2.gz GTZUVYKHUSJYTD-QMMMGPOBSA-N 0 3 268.321 -1.293 20 0 CAADHN C[C@H](CO)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001328349277 884972610 /nfs/dbraw/zinc/97/26/10/884972610.db2.gz GVQBTIZOLLBYNX-ZCFIWIBFSA-N 0 3 255.278 -1.179 20 0 CAADHN C[C@@H](CO)NC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001328349276 884973328 /nfs/dbraw/zinc/97/33/28/884973328.db2.gz GVQBTIZOLLBYNX-LURJTMIESA-N 0 3 255.278 -1.179 20 0 CAADHN COc1ccc(CN[C@@H](C)CCNC(=O)C(N)=O)nn1 ZINC001328401878 884982900 /nfs/dbraw/zinc/98/29/00/884982900.db2.gz BHCSJEKTULYULZ-QMMMGPOBSA-N 0 3 281.316 -1.045 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)NCCN1CCN(CC)CC1 ZINC001328453999 884987569 /nfs/dbraw/zinc/98/75/69/884987569.db2.gz BCHSZAHXKTYYBJ-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN CSCC[C@@H](N)C(=O)NCCC(=O)NC(N)=O ZINC001328505284 884994356 /nfs/dbraw/zinc/99/43/56/884994356.db2.gz WUXKLCQGPPPZPK-ZCFIWIBFSA-N 0 3 262.335 -1.232 20 0 CAADHN COCCNCC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001328521915 884995171 /nfs/dbraw/zinc/99/51/71/884995171.db2.gz FKLIMEPSWBAFND-IUCAKERBSA-N 0 3 259.306 -1.629 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)NCCn1cncn1 ZINC001328610076 885002250 /nfs/dbraw/zinc/00/22/50/885002250.db2.gz OCYKAHOAAZKHLI-UHFFFAOYSA-N 0 3 294.359 -1.052 20 0 CAADHN Nc1nc(N)nc(N2CCN(c3nccnn3)CC2)n1 ZINC001328804074 885023260 /nfs/dbraw/zinc/02/32/60/885023260.db2.gz MLDLMVUQBLMKOE-UHFFFAOYSA-N 0 3 274.292 -1.452 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001328851884 885031620 /nfs/dbraw/zinc/03/16/20/885031620.db2.gz ZCDCVRDDCIBONB-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN CNC(=O)CCN1CCC(NS(N)(=O)=O)CC1 ZINC001328893356 885034409 /nfs/dbraw/zinc/03/44/09/885034409.db2.gz YLKUAODQAYEUPW-UHFFFAOYSA-N 0 3 264.351 -1.620 20 0 CAADHN O=C(NCCn1cnnc1)[C@@H]1CN2CCN1CCC2 ZINC001328897070 885035315 /nfs/dbraw/zinc/03/53/15/885035315.db2.gz PCMSUJCYHNMJQK-NSHDSACASA-N 0 3 264.333 -1.216 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H](C)CS(=O)(=O)CC ZINC001328975913 885040119 /nfs/dbraw/zinc/04/01/19/885040119.db2.gz VSOYARHJJLUKEV-VIFPVBQESA-N 0 3 293.389 -1.267 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001328976500 885041182 /nfs/dbraw/zinc/04/11/82/885041182.db2.gz ALAUGAGVYXJKEC-BQBZGAKWSA-N 0 3 255.282 -2.359 20 0 CAADHN C[C@@H](NC(=O)C(F)F)[C@H](C)NCC(=O)NC(N)=O ZINC001328972791 885042257 /nfs/dbraw/zinc/04/22/57/885042257.db2.gz ZKKTYEBCWOPFPX-CRCLSJGQSA-N 0 3 266.248 -1.071 20 0 CAADHN C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)CC(N)=O ZINC001329006942 885046401 /nfs/dbraw/zinc/04/64/01/885046401.db2.gz GBNAUBYKBOMHBW-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](NCCS(C)(=O)=O)[C@@H](C)NC(=O)CC(N)=O ZINC001329008676 885046440 /nfs/dbraw/zinc/04/64/40/885046440.db2.gz NTNATLXLNWSDFD-HTQZYQBOSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)CC(N)=O ZINC001329006940 885046571 /nfs/dbraw/zinc/04/65/71/885046571.db2.gz GBNAUBYKBOMHBW-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)CC(N)=O ZINC001329006943 885048652 /nfs/dbraw/zinc/04/86/52/885048652.db2.gz GBNAUBYKBOMHBW-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN O=C([C@H]1CCNC1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001329062830 885054715 /nfs/dbraw/zinc/05/47/15/885054715.db2.gz SYBFWHQZVTZVGW-MXWKQRLJSA-N 0 3 267.329 -1.210 20 0 CAADHN CCN(CCN)C(=O)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC001329069988 885055714 /nfs/dbraw/zinc/05/57/14/885055714.db2.gz OUIUKDZTEDMITM-MRVPVSSYSA-N 0 3 279.362 -1.657 20 0 CAADHN CC(C)CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001329108012 885063763 /nfs/dbraw/zinc/06/37/63/885063763.db2.gz GWZKEYCBFOPTTG-DTWKUNHWSA-N 0 3 272.349 -1.273 20 0 CAADHN CC(C)CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001329108014 885064025 /nfs/dbraw/zinc/06/40/25/885064025.db2.gz GWZKEYCBFOPTTG-RKDXNWHRSA-N 0 3 272.349 -1.273 20 0 CAADHN C[C@@H](NCC(=O)N1CCCC1)[C@H](C)NC(=O)C(N)=O ZINC001329111517 885064459 /nfs/dbraw/zinc/06/44/59/885064459.db2.gz RPQXCEMTGDNRQY-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H]1CNCCO1 ZINC001329127297 885068529 /nfs/dbraw/zinc/06/85/29/885068529.db2.gz QNGJTYDAZNOJRD-MRVPVSSYSA-N 0 3 250.320 -1.474 20 0 CAADHN NC(=O)NC(=O)CCN[C@@H]1CCCS(=O)(=O)C1 ZINC001329141815 885071048 /nfs/dbraw/zinc/07/10/48/885071048.db2.gz MFZYODZYMLALMY-SSDOTTSWSA-N 0 3 263.319 -1.262 20 0 CAADHN Cn1nccc1C(O)=COC(=O)Cc1[nH]c(O)nc1O ZINC001329157448 885072629 /nfs/dbraw/zinc/07/26/29/885072629.db2.gz JISQRBZMKAHJDG-LURJTMIESA-N 0 3 280.240 -1.256 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC001329240322 885082158 /nfs/dbraw/zinc/08/21/58/885082158.db2.gz HLRQUOJZDINTRX-SECBINFHSA-N 0 3 291.373 -1.561 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CNCCO1 ZINC001329369736 885090940 /nfs/dbraw/zinc/09/09/40/885090940.db2.gz LMKLGJIHUNOFQY-SFYZADRCSA-N 0 3 265.335 -1.971 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H]1CNCCO1 ZINC001329369734 885092514 /nfs/dbraw/zinc/09/25/14/885092514.db2.gz LMKLGJIHUNOFQY-HTQZYQBOSA-N 0 3 265.335 -1.971 20 0 CAADHN CNS(=O)(=O)CCCN[C@H](C)CS(C)(=O)=O ZINC001329375819 885094530 /nfs/dbraw/zinc/09/45/30/885094530.db2.gz PLGYOONGOPVVNG-MRVPVSSYSA-N 0 3 272.392 -1.052 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)CC1 ZINC001329432345 885098982 /nfs/dbraw/zinc/09/89/82/885098982.db2.gz FARLSKGMZCBAIK-VHSXEESVSA-N 0 3 267.329 -1.081 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)CC1 ZINC001329432343 885099361 /nfs/dbraw/zinc/09/93/61/885099361.db2.gz FARLSKGMZCBAIK-UWVGGRQHSA-N 0 3 267.329 -1.081 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCC(C)(C)S(C)(=O)=O ZINC001329445307 885102728 /nfs/dbraw/zinc/10/27/28/885102728.db2.gz ARTYOHDGVNTQQS-UHFFFAOYSA-N 0 3 293.389 -1.267 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N(C)CCOC ZINC001329462006 885103791 /nfs/dbraw/zinc/10/37/91/885103791.db2.gz XAAXMKZFAWMEDH-VIFPVBQESA-N 0 3 260.338 -1.002 20 0 CAADHN CO[C@H]1C[C@@H](CNC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC001329464032 885104310 /nfs/dbraw/zinc/10/43/10/885104310.db2.gz BMYCWEUQAFAIPX-AXFHLTTASA-N 0 3 285.344 -1.368 20 0 CAADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001329514070 885110837 /nfs/dbraw/zinc/11/08/37/885110837.db2.gz QENIQGLGWSECJE-RXMQYKEDSA-N 0 3 253.262 -1.048 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)N(C)C[C@H](O)Cn1cccn1 ZINC001329529467 885113708 /nfs/dbraw/zinc/11/37/08/885113708.db2.gz BAXAYNASLLDSPU-UWVGGRQHSA-N 0 3 283.332 -1.834 20 0 CAADHN C[C@H](CNC(=O)C1=NC(=O)N(C)C1)N(C)CC(N)=O ZINC001329530333 885113836 /nfs/dbraw/zinc/11/38/36/885113836.db2.gz GURBWCSXIWNIAZ-SSDOTTSWSA-N 0 3 269.305 -1.339 20 0 CAADHN O=C(CN1CCCCC(=O)C1=O)N1CCOC2(CNC2)C1 ZINC001329652043 885126115 /nfs/dbraw/zinc/12/61/15/885126115.db2.gz QXPXNZXGWTVJLF-UHFFFAOYSA-N 0 3 295.339 -1.231 20 0 CAADHN NC1(C(=O)NC[C@@]23COC(=O)N2CCOC3)CC1 ZINC001329646221 885126401 /nfs/dbraw/zinc/12/64/01/885126401.db2.gz ILXYGDMDPIBINT-SNVBAGLBSA-N 0 3 255.274 -1.185 20 0 CAADHN CCn1ccc(NC(=O)C(=O)NC[C@H]2CNCCO2)n1 ZINC001329805690 885143766 /nfs/dbraw/zinc/14/37/66/885143766.db2.gz FBPFLCHIFIKWIY-SECBINFHSA-N 0 3 281.316 -1.054 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)CCN ZINC001329843329 885146207 /nfs/dbraw/zinc/14/62/07/885146207.db2.gz PWOUBIFUOZURHJ-JGVFFNPUSA-N 0 3 293.345 -2.668 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N(C)CCN)S(C)(=O)=O ZINC001329862601 885149587 /nfs/dbraw/zinc/14/95/87/885149587.db2.gz LKHIYYHWLIVLRO-ZETCQYMHSA-N 0 3 265.335 -2.047 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001329936380 885157125 /nfs/dbraw/zinc/15/71/25/885157125.db2.gz CIDTZSCCLZZGBH-AXFHLTTASA-N 0 3 267.329 -1.068 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001329936384 885157232 /nfs/dbraw/zinc/15/72/32/885157232.db2.gz CIDTZSCCLZZGBH-MXWKQRLJSA-N 0 3 267.329 -1.068 20 0 CAADHN Cc1nccn1CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC001330025344 885166837 /nfs/dbraw/zinc/16/68/37/885166837.db2.gz WYPFIDGEJXCGLW-LLVKDONJSA-N 0 3 295.343 -1.588 20 0 CAADHN CN(CCNC(=O)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1)C1CC1 ZINC001330129684 885175681 /nfs/dbraw/zinc/17/56/81/885175681.db2.gz FTHBERWVTORIQX-JGZJWPJOSA-N 0 3 296.371 -1.081 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)NCCn2cncn2)C1 ZINC001330316751 885188280 /nfs/dbraw/zinc/18/82/80/885188280.db2.gz WDGAGYDXEKANBR-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CSCCNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC001330530696 885202250 /nfs/dbraw/zinc/20/22/50/885202250.db2.gz XYQSFKDSWGNBMT-MRVPVSSYSA-N 0 3 261.347 -1.430 20 0 CAADHN O=C1NC[C@H]2CN(C[C@@H]3CNCCO3)CCN2C1=O ZINC001330583642 885208354 /nfs/dbraw/zinc/20/83/54/885208354.db2.gz BULMGPIUZDPTRC-UWVGGRQHSA-N 0 3 268.317 -2.383 20 0 CAADHN N[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CC[C@H]1F ZINC001330591550 885209229 /nfs/dbraw/zinc/20/92/29/885209229.db2.gz KTDLXJQCNSIAAB-RNFRBKRXSA-N 0 3 258.253 -1.564 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CNC(=O)C2)C1 ZINC001330627566 885214217 /nfs/dbraw/zinc/21/42/17/885214217.db2.gz AQLVKIXVVCINSS-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(c1cc(=O)[n-]cn1)N1CCOC2(C[NH2+]C2)C1 ZINC001330624978 885215157 /nfs/dbraw/zinc/21/51/57/885215157.db2.gz BKIZHPAHXRXKEU-UHFFFAOYSA-N 0 3 250.258 -1.003 20 0 CAADHN Cn1cc([C@H](CO)NCCc2nnnn2C)cn1 ZINC001330655434 885219424 /nfs/dbraw/zinc/21/94/24/885219424.db2.gz PKLWCMJQSJSWPA-VIFPVBQESA-N 0 3 251.294 -1.191 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CCC(CO)(CO)CC1 ZINC001330723535 885225196 /nfs/dbraw/zinc/22/51/96/885225196.db2.gz YPZFWUCLQVHHBZ-NSHDSACASA-N 0 3 261.318 -1.023 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NCCN1CC[C@@H](O)C1 ZINC001330736166 885227405 /nfs/dbraw/zinc/22/74/05/885227405.db2.gz HPTGPEKIFYWGCQ-NXEZZACHSA-N 0 3 255.318 -1.305 20 0 CAADHN CCN1C(=O)[C@H]2CN(C(=O)[C@H](N)CCOC)CCN2C1=O ZINC001330867646 885236686 /nfs/dbraw/zinc/23/66/86/885236686.db2.gz SAMGTHNOCQLXNR-NXEZZACHSA-N 0 3 298.343 -1.155 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC001330882423 885236804 /nfs/dbraw/zinc/23/68/04/885236804.db2.gz FNJOMENGFYYLSB-WNWIJWBNSA-N 0 3 264.351 -1.304 20 0 CAADHN CNC(=O)C[NH2+]CCC[C@H](C)NC(=O)Cc1nnc[n-]1 ZINC001330956110 885242271 /nfs/dbraw/zinc/24/22/71/885242271.db2.gz WQLZPEOWWRHFOL-VIFPVBQESA-N 0 3 282.348 -1.032 20 0 CAADHN CN(CC(=O)N1CCN(C)CC1)C[C@H]1CNC(=O)C1 ZINC001331142509 885252992 /nfs/dbraw/zinc/25/29/92/885252992.db2.gz BSPYBWKIZMSDLB-LLVKDONJSA-N 0 3 268.361 -1.172 20 0 CAADHN CC(=O)C1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC001331193672 885263850 /nfs/dbraw/zinc/26/38/50/885263850.db2.gz XMWZGNVAPCIWGU-GFCCVEGCSA-N 0 3 297.355 -1.081 20 0 CAADHN C[C@H](NC(=O)C(=O)NC[C@H]1CNCCO1)c1ccnn1C ZINC001331193439 885264584 /nfs/dbraw/zinc/26/45/84/885264584.db2.gz VHFWILRVFNILFP-VHSXEESVSA-N 0 3 295.343 -1.298 20 0 CAADHN C[C@H](NC(=O)C(=O)NC[C@@H]1CNCCO1)c1ccnn1C ZINC001331193437 885264673 /nfs/dbraw/zinc/26/46/73/885264673.db2.gz VHFWILRVFNILFP-UWVGGRQHSA-N 0 3 295.343 -1.298 20 0 CAADHN COCCO[C@@H]1C[C@H](CO)CN(c2nc(N)nc(N)n2)C1 ZINC001331314773 885270774 /nfs/dbraw/zinc/27/07/74/885270774.db2.gz JWGGUBYXAYYQNZ-DTWKUNHWSA-N 0 3 298.347 -1.114 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CNCCO2)C1 ZINC001331330974 885270802 /nfs/dbraw/zinc/27/08/02/885270802.db2.gz UMNJCPPVSLQBHJ-KXUCPTDWSA-N 0 3 255.318 -1.007 20 0 CAADHN COCCO[C@@H]1C[C@@H](CO)CN(c2nc(N)nc(N)n2)C1 ZINC001331314775 885273135 /nfs/dbraw/zinc/27/31/35/885273135.db2.gz JWGGUBYXAYYQNZ-RKDXNWHRSA-N 0 3 298.347 -1.114 20 0 CAADHN C[C@H](CN(C)C(=O)CC(N)=O)NCCS(C)(=O)=O ZINC001331408898 885276530 /nfs/dbraw/zinc/27/65/30/885276530.db2.gz HGJUUWQFISKZNP-MRVPVSSYSA-N 0 3 279.362 -1.657 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn[nH]c(=O)c1)NCC(N)=O ZINC001331475443 885278718 /nfs/dbraw/zinc/27/87/18/885278718.db2.gz ORVKSFUMJWGZDK-ZETCQYMHSA-N 0 3 267.289 -1.282 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001331472965 885278978 /nfs/dbraw/zinc/27/89/78/885278978.db2.gz CFLMOBOFYZSJPM-ZCFIWIBFSA-N 0 3 269.305 -1.041 20 0 CAADHN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)NCC(N)=O ZINC001331530058 885283512 /nfs/dbraw/zinc/28/35/12/885283512.db2.gz MRZNUJORYNCFIW-SSDOTTSWSA-N 0 3 267.289 -1.695 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nc[n-]n1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001331599474 885289832 /nfs/dbraw/zinc/28/98/32/885289832.db2.gz XPWZLKUUBRXZJD-YUMQZZPRSA-N 0 3 294.315 -1.340 20 0 CAADHN C[C@H](CN(C)C(=O)c1nc[n-]n1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001331599473 885289937 /nfs/dbraw/zinc/28/99/37/885289937.db2.gz XPWZLKUUBRXZJD-SFYZADRCSA-N 0 3 294.315 -1.340 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCC1(S(C)(=O)=O)CC1 ZINC001331582766 885290659 /nfs/dbraw/zinc/29/06/59/885290659.db2.gz HTWMJHXRYJJYKV-UHFFFAOYSA-N 0 3 291.373 -1.513 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnon1)N[C@@H](C)C(N)=O ZINC001331592836 885292949 /nfs/dbraw/zinc/29/29/49/885292949.db2.gz FKJFZJRGLIQSEQ-RQJHMYQMSA-N 0 3 255.278 -1.007 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnon1)N[C@@H](C)C(N)=O ZINC001331592833 885293228 /nfs/dbraw/zinc/29/32/28/885293228.db2.gz FKJFZJRGLIQSEQ-BQBZGAKWSA-N 0 3 255.278 -1.007 20 0 CAADHN C[C@H](CN(C)C(=O)CC[C@@H]1NC(=O)NC1=O)NCC(N)=O ZINC001331629854 885298583 /nfs/dbraw/zinc/29/85/83/885298583.db2.gz DRUDSWJSAKORRM-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN CCC(=O)NC[C@@H](CO)NCCN1C(=O)CCC1=O ZINC001331661327 885299251 /nfs/dbraw/zinc/29/92/51/885299251.db2.gz AALQPGASHBWOMD-VIFPVBQESA-N 0 3 271.317 -1.388 20 0 CAADHN O=C(NCCc1ccns1)C(=O)NC[C@H]1CNCCO1 ZINC001331635532 885301049 /nfs/dbraw/zinc/30/10/49/885301049.db2.gz BJZLKIWBBRMCEU-SECBINFHSA-N 0 3 298.368 -1.094 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1C(=O)CNC1=O)C1CC1 ZINC001331667126 885303917 /nfs/dbraw/zinc/30/39/17/885303917.db2.gz UEURSJGVYMLJOR-VIFPVBQESA-N 0 3 284.316 -1.985 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1nccnc1N ZINC001331680630 885308684 /nfs/dbraw/zinc/30/86/84/885308684.db2.gz BPDLULLITCPRTH-QMMMGPOBSA-N 0 3 269.305 -1.615 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001331686568 885309279 /nfs/dbraw/zinc/30/92/79/885309279.db2.gz WIGZCWRJSZYBAF-QMMMGPOBSA-N 0 3 287.320 -3.046 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H](C)n1cncn1 ZINC001331698892 885314849 /nfs/dbraw/zinc/31/48/49/885314849.db2.gz YEBSZWVVNJPINM-UWVGGRQHSA-N 0 3 271.321 -1.448 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H](C)n1cncn1 ZINC001331698893 885314886 /nfs/dbraw/zinc/31/48/86/885314886.db2.gz YEBSZWVVNJPINM-VHSXEESVSA-N 0 3 271.321 -1.448 20 0 CAADHN Cn1ccc(=O)c(C(=O)NC[C@@H](CO)NCCO)c1 ZINC001331738883 885326663 /nfs/dbraw/zinc/32/66/63/885326663.db2.gz DYVIXAWMYOBHHL-VIFPVBQESA-N 0 3 269.301 -1.942 20 0 CAADHN COCCN[C@H](CO)CNC(=O)Cn1ncn(C)c1=O ZINC001331741231 885330000 /nfs/dbraw/zinc/33/00/00/885330000.db2.gz UHJXYFMDKLJQIZ-VIFPVBQESA-N 0 3 287.320 -2.705 20 0 CAADHN COCC(=O)NC1CCN(CCn2cnnn2)CC1 ZINC001331758537 885335304 /nfs/dbraw/zinc/33/53/04/885335304.db2.gz TYBAEAXBWNLGPG-UHFFFAOYSA-N 0 3 268.321 -1.100 20 0 CAADHN NC(=O)C(=O)NC[C@H](CO)NCCOCC(F)F ZINC001331773485 885339044 /nfs/dbraw/zinc/33/90/44/885339044.db2.gz GIZMUBJZLOADKD-ZCFIWIBFSA-N 0 3 269.248 -2.180 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001331773077 885342762 /nfs/dbraw/zinc/34/27/62/885342762.db2.gz TTXBMMIINPQVAU-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001331774336 885344281 /nfs/dbraw/zinc/34/42/81/885344281.db2.gz LDWYMPCLMIYDBU-SFYZADRCSA-N 0 3 260.294 -2.619 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001331774988 885344661 /nfs/dbraw/zinc/34/46/61/885344661.db2.gz QHMOJPZGPKJQDG-RKDXNWHRSA-N 0 3 274.321 -2.229 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001331774334 885344866 /nfs/dbraw/zinc/34/48/66/885344866.db2.gz LDWYMPCLMIYDBU-HTQZYQBOSA-N 0 3 260.294 -2.619 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001331774985 885346786 /nfs/dbraw/zinc/34/67/86/885346786.db2.gz QHMOJPZGPKJQDG-BDAKNGLRSA-N 0 3 274.321 -2.229 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@]1(C)CCNC1=O ZINC001331788613 885348360 /nfs/dbraw/zinc/34/83/60/885348360.db2.gz XGZGKXYHGYFVIK-BXKDBHETSA-N 0 3 273.333 -1.774 20 0 CAADHN O=C(NC[C@@H](CO)NCCOC1CCC1)[C@@H]1CCC(=O)N1 ZINC001331825755 885350941 /nfs/dbraw/zinc/35/09/41/885350941.db2.gz QVHUVWIFALXSBW-JQWIXIFHSA-N 0 3 299.371 -1.099 20 0 CAADHN Cc1ccc(NC(=O)C(=O)NC[C@H](CO)NCCO)cc1 ZINC001331833205 885355790 /nfs/dbraw/zinc/35/57/90/885355790.db2.gz AKSJOOWZEVRAQE-GFCCVEGCSA-N 0 3 295.339 -1.007 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001331833745 885357203 /nfs/dbraw/zinc/35/72/03/885357203.db2.gz CZOLZMBDUIGLAH-ZJUUUORDSA-N 0 3 294.373 -1.723 20 0 CAADHN Cc1ccc(NC(=O)C(=O)NC[C@@H](CO)NCCO)cc1 ZINC001331833206 885358037 /nfs/dbraw/zinc/35/80/37/885358037.db2.gz AKSJOOWZEVRAQE-LBPRGKRZSA-N 0 3 295.339 -1.007 20 0 CAADHN NC(=O)C[C@H]1CN(C(=O)C(=O)N2CCCNCC2)CCO1 ZINC001331853115 885361292 /nfs/dbraw/zinc/36/12/92/885361292.db2.gz PKMXBMKNNLLSPF-JTQLQIEISA-N 0 3 298.343 -2.089 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCC(c2nnnn2C)CC1 ZINC001331977273 885371980 /nfs/dbraw/zinc/37/19/80/885371980.db2.gz VSMORUBQJACLRC-VIFPVBQESA-N 0 3 268.321 -1.110 20 0 CAADHN CN1CCN(CCCNC(=O)CCNC(=O)CO)CC1 ZINC001332035189 885372315 /nfs/dbraw/zinc/37/23/15/885372315.db2.gz XPEXLILTHXPFFD-UHFFFAOYSA-N 0 3 286.376 -1.761 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC001332028839 885375159 /nfs/dbraw/zinc/37/51/59/885375159.db2.gz DGNHJZGLCMXSDB-YUMQZZPRSA-N 0 3 266.305 -1.257 20 0 CAADHN CNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2nc[n-]n2)C1 ZINC001332028839 885375181 /nfs/dbraw/zinc/37/51/81/885375181.db2.gz DGNHJZGLCMXSDB-YUMQZZPRSA-N 0 3 266.305 -1.257 20 0 CAADHN COC[C@H](O)CN1CC[C@@]2(NC(=O)C(N)=O)CCC[C@H]12 ZINC001332110313 885379347 /nfs/dbraw/zinc/37/93/47/885379347.db2.gz INRRPXDTFLEFPE-NRUUGDAUSA-N 0 3 285.344 -1.408 20 0 CAADHN O=C(Cc1nnc[nH]1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001332152579 885384610 /nfs/dbraw/zinc/38/46/10/885384610.db2.gz ATZMINNGDWVCEX-DTWKUNHWSA-N 0 3 251.290 -1.375 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)C[C@@H](O)CNCCF ZINC001332502199 885415875 /nfs/dbraw/zinc/41/58/75/885415875.db2.gz APEWMVWICFWRBW-YUMQZZPRSA-N 0 3 264.301 -1.578 20 0 CAADHN CNS(=O)(=O)CCNC[C@@H](O)CC(C)(C)O ZINC001332239372 885392424 /nfs/dbraw/zinc/39/24/24/885392424.db2.gz UPYAUZYVYKQMHG-QMMMGPOBSA-N 0 3 254.352 -1.353 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001332559999 885421666 /nfs/dbraw/zinc/42/16/66/885421666.db2.gz GOJWFGZQZLMQBU-MRVPVSSYSA-N 0 3 274.321 -2.593 20 0 CAADHN CC(=O)NCC(=O)NCCN(C)CCOCCO ZINC001332315048 885399900 /nfs/dbraw/zinc/39/99/00/885399900.db2.gz UURZRNDQHGNVMY-UHFFFAOYSA-N 0 3 261.322 -1.821 20 0 CAADHN CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CCCNC(=O)C1 ZINC001332312823 885400602 /nfs/dbraw/zinc/40/06/02/885400602.db2.gz DJSIIFHBRSMQFP-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN Cn1cnc(S(=O)(=O)N2CCNCCNCC2)c1 ZINC001332335435 885401113 /nfs/dbraw/zinc/40/11/13/885401113.db2.gz WLUUXQOACVNZTK-UHFFFAOYSA-N 0 3 273.362 -1.396 20 0 CAADHN Cc1nc(S(=O)(=O)N2CCNCCNCC2)cn1C ZINC001332369038 885401989 /nfs/dbraw/zinc/40/19/89/885401989.db2.gz VFGTXLGOZNMDOG-UHFFFAOYSA-N 0 3 287.389 -1.088 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(Cc2cnnn2C)C1=O ZINC001332362018 885402222 /nfs/dbraw/zinc/40/22/22/885402222.db2.gz SKJHLLRBAZYYLM-MRVPVSSYSA-N 0 3 252.278 -1.203 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(Cc2cnnn2C)C1=O ZINC001332362019 885402729 /nfs/dbraw/zinc/40/27/29/885402729.db2.gz SKJHLLRBAZYYLM-QMMMGPOBSA-N 0 3 252.278 -1.203 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)NC1CC1 ZINC001332362294 885402875 /nfs/dbraw/zinc/40/28/75/885402875.db2.gz RWUYQWDTLXOUOJ-SNVBAGLBSA-N 0 3 296.371 -1.033 20 0 CAADHN CN(CCF)C(=O)C(=O)N1CCNCCNCC1 ZINC001332419174 885407555 /nfs/dbraw/zinc/40/75/55/885407555.db2.gz XGASVDCWXSGEPV-UHFFFAOYSA-N 0 3 260.313 -1.564 20 0 CAADHN C[C@@H]1COCCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001332412117 885408574 /nfs/dbraw/zinc/40/85/74/885408574.db2.gz MRILECVVPAAIFR-LBPRGKRZSA-N 0 3 298.387 -1.497 20 0 CAADHN O=C(CNC[C@H]1CCCO1)NCCCN1C(=O)CNC1=O ZINC001332424989 885408875 /nfs/dbraw/zinc/40/88/75/885408875.db2.gz SNBOECRRCOQUDH-SNVBAGLBSA-N 0 3 298.343 -1.187 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)COC)C(N)=O ZINC001332472586 885413396 /nfs/dbraw/zinc/41/33/96/885413396.db2.gz UCVWOKOXCARBRV-BDAKNGLRSA-N 0 3 261.322 -1.694 20 0 CAADHN Cc1ncc(CNC[C@H](O)CN(C)C(=O)CC(N)=O)cn1 ZINC001332487985 885413696 /nfs/dbraw/zinc/41/36/96/885413696.db2.gz ITZGFLVCHOREPI-NSHDSACASA-N 0 3 295.343 -1.431 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)COC)C(N)=O ZINC001332472589 885413799 /nfs/dbraw/zinc/41/37/99/885413799.db2.gz UCVWOKOXCARBRV-RKDXNWHRSA-N 0 3 261.322 -1.694 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cc[n+]([O-])cc1 ZINC001332477954 885414009 /nfs/dbraw/zinc/41/40/09/885414009.db2.gz YKLSUEORJUBXJG-LLVKDONJSA-N 0 3 296.327 -1.912 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccc(F)nc1 ZINC001332489878 885415743 /nfs/dbraw/zinc/41/57/43/885415743.db2.gz SRIMFTCPNMGVRV-SNVBAGLBSA-N 0 3 298.318 -1.011 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)c1cnn(C)c1N ZINC001332506828 885416162 /nfs/dbraw/zinc/41/61/62/885416162.db2.gz YFDWKWSBWGSDTQ-QMMMGPOBSA-N 0 3 273.312 -1.006 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@H](O)CNCCF ZINC001332504918 885416216 /nfs/dbraw/zinc/41/62/16/885416216.db2.gz PPIKCOXGEPRXKL-SECBINFHSA-N 0 3 263.313 -1.109 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CC(C)(C)O ZINC001332506941 885416568 /nfs/dbraw/zinc/41/65/68/885416568.db2.gz ZELGLEXDSAKXKS-MRVPVSSYSA-N 0 3 261.322 -1.958 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCCC1)C(=O)C(N)=O ZINC001332563541 885420924 /nfs/dbraw/zinc/42/09/24/885420924.db2.gz ZSEKLGBQGAMFLV-SECBINFHSA-N 0 3 286.332 -2.497 20 0 CAADHN CN(C[C@@H](O)CNCc1cncn1C)C(=O)C(N)=O ZINC001332560027 885420943 /nfs/dbraw/zinc/42/09/43/885420943.db2.gz HAPGKBKYXDJMFZ-VIFPVBQESA-N 0 3 269.305 -2.186 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccnnc1 ZINC001332576151 885423437 /nfs/dbraw/zinc/42/34/37/885423437.db2.gz YASPRCABQXSQKN-SECBINFHSA-N 0 3 267.289 -2.016 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@@H]1CCC(=O)N1 ZINC001332593198 885423681 /nfs/dbraw/zinc/42/36/81/885423681.db2.gz ZYXIUDZANMDMFK-BDAKNGLRSA-N 0 3 261.297 -1.357 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001332604734 885426195 /nfs/dbraw/zinc/42/61/95/885426195.db2.gz CHSRGFFSUPSIIN-DTWKUNHWSA-N 0 3 297.352 -1.944 20 0 CAADHN CN1CCN(CCCNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001332615232 885427387 /nfs/dbraw/zinc/42/73/87/885427387.db2.gz PGZPMPFXDFLBNX-NSHDSACASA-N 0 3 296.371 -1.207 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCNC1=O ZINC001332648643 885430715 /nfs/dbraw/zinc/43/07/15/885430715.db2.gz RGIMUZXLMJEAQL-GHMZBOCLSA-N 0 3 287.360 -1.480 20 0 CAADHN O[C@@H](CN1C[C@H](O)C[C@H](O)C1)C1(O)CCOCC1 ZINC001332651082 885430820 /nfs/dbraw/zinc/43/08/20/885430820.db2.gz UDUIXJAOZIKSQY-AXFHLTTASA-N 0 3 261.318 -1.684 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001332665460 885432809 /nfs/dbraw/zinc/43/28/09/885432809.db2.gz SMJVVSZHZCYPQN-SNVBAGLBSA-N 0 3 268.317 -1.166 20 0 CAADHN C[C@@H](NC(=O)CN1CCN(C)CC1)[C@H]1CN(C)CCN1C ZINC001332753997 885436863 /nfs/dbraw/zinc/43/68/63/885436863.db2.gz AMKIKFNXTSPTQP-ZIAGYGMSSA-N 0 3 297.447 -1.016 20 0 CAADHN C[C@H](NC(=O)CN1CCN(C)CC1)[C@@H]1CN(C)CCN1C ZINC001332753991 885437004 /nfs/dbraw/zinc/43/70/04/885437004.db2.gz AMKIKFNXTSPTQP-KBPBESRZSA-N 0 3 297.447 -1.016 20 0 CAADHN CN(CCNC(=O)C(=O)N1CC=C[C@H]1CO)C1CC1 ZINC001332814605 885440353 /nfs/dbraw/zinc/44/03/53/885440353.db2.gz VFICBCTZYOJWPU-NSHDSACASA-N 0 3 267.329 -1.044 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CC[C@H]2CNC(=O)C2)C1=O ZINC001332845052 885442341 /nfs/dbraw/zinc/44/23/41/885442341.db2.gz TWVOQVMBWLEUFK-RKDXNWHRSA-N 0 3 268.317 -1.005 20 0 CAADHN CNC(=O)CCCN1C(=O)N[C@H](CN(C)C)C1=O ZINC001332864565 885442447 /nfs/dbraw/zinc/44/24/47/885442447.db2.gz AHNNEXUJTPBIOD-MRVPVSSYSA-N 0 3 256.306 -1.005 20 0 CAADHN CN(CCO)CCNC(=O)CN1CCN(C)CC1 ZINC001333073483 885457065 /nfs/dbraw/zinc/45/70/65/885457065.db2.gz JRIGTRCVMNNVFS-UHFFFAOYSA-N 0 3 258.366 -1.726 20 0 CAADHN Cn1nnnc1CCN1CCC(CO)(CO)CC1 ZINC001333069668 885456732 /nfs/dbraw/zinc/45/67/32/885456732.db2.gz ARSFNOHCERYIAQ-UHFFFAOYSA-N 0 3 255.322 -1.181 20 0 CAADHN CN1CCN(CCCNC(=O)CN2CCNC(=O)C2)CC1 ZINC001333086594 885456882 /nfs/dbraw/zinc/45/68/82/885456882.db2.gz QXQFTSGWZHTNND-UHFFFAOYSA-N 0 3 297.403 -1.828 20 0 CAADHN O=C(C[C@H]1CCNC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001333086930 885457020 /nfs/dbraw/zinc/45/70/20/885457020.db2.gz NQXXZNATBWMSMU-OUAUKWLOSA-N 0 3 267.329 -1.210 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC001333155667 885461370 /nfs/dbraw/zinc/46/13/70/885461370.db2.gz CWPDSNBUXAFYCO-IUCAKERBSA-N 0 3 271.317 -1.256 20 0 CAADHN COCC[C@@H](N)C(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC001333183455 885463260 /nfs/dbraw/zinc/46/32/60/885463260.db2.gz FHHKORNWWLGSSP-HRDYMLBCSA-N 0 3 269.301 -1.577 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)[C@H]1CCCOC1 ZINC001333205755 885464454 /nfs/dbraw/zinc/46/44/54/885464454.db2.gz IDCJFYWZABWNNI-NSHDSACASA-N 0 3 287.360 -1.037 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)c1cnnn1C ZINC001333216887 885464938 /nfs/dbraw/zinc/46/49/38/885464938.db2.gz ARPIYPRQUIZBKU-UHFFFAOYSA-N 0 3 298.347 -1.761 20 0 CAADHN C[C@H]1OCC[C@@H]1C(=O)N(C)CCOCCNCC(N)=O ZINC001333259395 885467721 /nfs/dbraw/zinc/46/77/21/885467721.db2.gz NQAYZYKEFIVGIH-MNOVXSKESA-N 0 3 287.360 -1.039 20 0 CAADHN C[C@@H]1OCC[C@H]1C(=O)N(C)CCOCCNCC(N)=O ZINC001333259399 885468113 /nfs/dbraw/zinc/46/81/13/885468113.db2.gz NQAYZYKEFIVGIH-WDEREUQCSA-N 0 3 287.360 -1.039 20 0 CAADHN O=C(CCn1cnnn1)N[C@@H](CO)CN1CCCC1 ZINC001333284665 885468902 /nfs/dbraw/zinc/46/89/02/885468902.db2.gz JXIWXGIVYDMWBS-SNVBAGLBSA-N 0 3 268.321 -1.364 20 0 CAADHN CONC(=O)C1CCN(CCN2C(=O)CNC2=O)CC1 ZINC001333487966 885483276 /nfs/dbraw/zinc/48/32/76/885483276.db2.gz RHNGXETYYRHTNR-UHFFFAOYSA-N 0 3 284.316 -1.072 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001333482734 885483467 /nfs/dbraw/zinc/48/34/67/885483467.db2.gz JGXJMZOGRPSWBD-KXUCPTDWSA-N 0 3 281.312 -1.683 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)c1nc2ncccn2n1 ZINC001333525233 885486224 /nfs/dbraw/zinc/48/62/24/885486224.db2.gz WTKJQZAXQKDKAX-QMMMGPOBSA-N 0 3 262.273 -1.158 20 0 CAADHN CC(=O)NCCCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC001333560507 885491155 /nfs/dbraw/zinc/49/11/55/885491155.db2.gz UTBPRARDCZFMIF-VIFPVBQESA-N 0 3 256.306 -1.005 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001333595477 885492764 /nfs/dbraw/zinc/49/27/64/885492764.db2.gz GXFZAFIKYOEJEF-LLVKDONJSA-N 0 3 268.361 -1.124 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(C[C@@H]2CN(C)CCN2C)C1=O ZINC001333582387 885493298 /nfs/dbraw/zinc/49/32/98/885493298.db2.gz ISDKMNBMHJQXOV-WDEREUQCSA-N 0 3 283.376 -1.286 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CN(C)CCN2C)C1=O ZINC001333582385 885493619 /nfs/dbraw/zinc/49/36/19/885493619.db2.gz ISDKMNBMHJQXOV-QWRGUYRKSA-N 0 3 283.376 -1.286 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(C[C@H]2CN(C)CCN2C)C1=O ZINC001333582383 885494175 /nfs/dbraw/zinc/49/41/75/885494175.db2.gz ISDKMNBMHJQXOV-MNOVXSKESA-N 0 3 283.376 -1.286 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C1(n2cnnn2)CC1 ZINC001333631039 885497169 /nfs/dbraw/zinc/49/71/69/885497169.db2.gz VALTVIPOXZYKBU-MRVPVSSYSA-N 0 3 252.278 -1.733 20 0 CAADHN C[C@@H](CN1CCN(C)CC1)NC(=O)C1(O)CNC1 ZINC001333635447 885498959 /nfs/dbraw/zinc/49/89/59/885498959.db2.gz HYNJYHCOCALKSN-JTQLQIEISA-N 0 3 256.350 -1.927 20 0 CAADHN CCn1ccc(NC(=O)C(=O)N2CCNCCNCC2)n1 ZINC001333643183 885499316 /nfs/dbraw/zinc/49/93/16/885499316.db2.gz FELSBCWGCWHVAM-UHFFFAOYSA-N 0 3 294.359 -1.137 20 0 CAADHN C[C@H](CN1CCN(C)CC1)NC(=O)C1(O)CNC1 ZINC001333635448 885500174 /nfs/dbraw/zinc/50/01/74/885500174.db2.gz HYNJYHCOCALKSN-SNVBAGLBSA-N 0 3 256.350 -1.927 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCNC[C@H]1c1nccn1C ZINC001333643197 885501245 /nfs/dbraw/zinc/50/12/45/885501245.db2.gz MVZVSFUFVQZALO-UWVGGRQHSA-N 0 3 267.333 -1.133 20 0 CAADHN O[C@H](CN1C[C@H](O)C[C@H](O)C1)C[C@]1(O)CCOC1 ZINC001333834513 885507819 /nfs/dbraw/zinc/50/78/19/885507819.db2.gz OTRFDNYWQBLXRQ-WHOHXGKFSA-N 0 3 261.318 -1.684 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)Nc1cn(C)nn1 ZINC001334052869 885519376 /nfs/dbraw/zinc/51/93/76/885519376.db2.gz DXBKYOXHOAXZGE-UHFFFAOYSA-N 0 3 254.294 -1.226 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001334047875 885520097 /nfs/dbraw/zinc/52/00/97/885520097.db2.gz XQNWRPVNAKPUDC-UWVGGRQHSA-N 0 3 255.318 -1.081 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001334047876 885522090 /nfs/dbraw/zinc/52/20/90/885522090.db2.gz XQNWRPVNAKPUDC-VHSXEESVSA-N 0 3 255.318 -1.081 20 0 CAADHN Cn1ccc(NC(=O)C(=O)N2CCNCCNCC2)n1 ZINC001334423787 885542953 /nfs/dbraw/zinc/54/29/53/885542953.db2.gz NWUCGXWHWNSIIO-UHFFFAOYSA-N 0 3 280.332 -1.620 20 0 CAADHN CC(=O)NCCN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC001334407188 885544120 /nfs/dbraw/zinc/54/41/20/885544120.db2.gz VMEZWPBHOVSSTG-UHFFFAOYSA-N 0 3 299.375 -2.398 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)N(C)C(=O)CN1CCCC1 ZINC001334500114 885550656 /nfs/dbraw/zinc/55/06/56/885550656.db2.gz IIYLBEBKMUDANJ-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN COC(=O)[C@H](O)C1CCN(C[C@H](O)[C@H](C)O)CC1 ZINC001334624749 885552938 /nfs/dbraw/zinc/55/29/38/885552938.db2.gz GALPALNICAVVQN-INTQDDNPSA-N 0 3 261.318 -1.026 20 0 CAADHN COC(=O)[C@H](O)C1CCN(C[C@H](O)[C@@H](C)O)CC1 ZINC001334624737 885553350 /nfs/dbraw/zinc/55/33/50/885553350.db2.gz GALPALNICAVVQN-DVVUODLYSA-N 0 3 261.318 -1.026 20 0 CAADHN COC(=O)[C@H](O)C1CCN(C[C@@H](O)[C@@H](C)O)CC1 ZINC001334624739 885554651 /nfs/dbraw/zinc/55/46/51/885554651.db2.gz GALPALNICAVVQN-FBIMIBRVSA-N 0 3 261.318 -1.026 20 0 CAADHN COCC(=O)NC1CCN(C[C@H](O)[C@H](C)O)CC1 ZINC001334548539 885554745 /nfs/dbraw/zinc/55/47/45/885554745.db2.gz JNUMNWDRBPWRGE-ONGXEEELSA-N 0 3 260.334 -1.045 20 0 CAADHN CCS(=O)(=O)CCNC[C@H](O)C1(O)CCOCC1 ZINC001334763343 885565301 /nfs/dbraw/zinc/56/53/01/885565301.db2.gz KCAXNYPBCZHXFO-JTQLQIEISA-N 0 3 281.374 -1.087 20 0 CAADHN C[C@H]1CCN1C(=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001335076139 885579248 /nfs/dbraw/zinc/57/92/48/885579248.db2.gz CKERNTWKYDJHKW-NSHDSACASA-N 0 3 296.371 -1.160 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC1CC(CC(N)=O)C1 ZINC001335080112 885580801 /nfs/dbraw/zinc/58/08/01/885580801.db2.gz KBUQHLNBPZBZJX-UHFFFAOYSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H]1COC[C@H]1NCCS(=O)(=O)CCC(N)=O ZINC001335128522 885586785 /nfs/dbraw/zinc/58/67/85/885586785.db2.gz OPGXOVNBNLPLKT-RKDXNWHRSA-N 0 3 264.347 -1.099 20 0 CAADHN C[C@H]1COC[C@H]1NCCS(=O)(=O)CCC(N)=O ZINC001335128520 885587147 /nfs/dbraw/zinc/58/71/47/885587147.db2.gz OPGXOVNBNLPLKT-DTWKUNHWSA-N 0 3 264.347 -1.099 20 0 CAADHN C[C@@H](CNCCN1CCS(=O)(=O)CC1)S(C)(=O)=O ZINC001335350478 885616639 /nfs/dbraw/zinc/61/66/39/885616639.db2.gz IKHDOMFGKMWHKP-JTQLQIEISA-N 0 3 298.430 -1.261 20 0 CAADHN C[C@@H](CC(=O)NCCN1CC[C@H](O)C1)NC(N)=O ZINC001335401664 885618150 /nfs/dbraw/zinc/61/81/50/885618150.db2.gz KKGBODXIYVFPQP-IUCAKERBSA-N 0 3 258.322 -1.384 20 0 CAADHN CCOC[C@H](C)NC(=O)C(=O)N1CCNCCNCC1 ZINC001335189907 885590361 /nfs/dbraw/zinc/59/03/61/885590361.db2.gz YJNRKAAPPCBDJZ-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001335215233 885592073 /nfs/dbraw/zinc/59/20/73/885592073.db2.gz BQAXVSIEPIFEFU-ZJUUUORDSA-N 0 3 296.327 -1.794 20 0 CAADHN C[C@@H]1COCCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC001335217582 885592462 /nfs/dbraw/zinc/59/24/62/885592462.db2.gz OZKUZQJSKDWNLJ-WDEREUQCSA-N 0 3 285.344 -1.414 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001335215230 885592876 /nfs/dbraw/zinc/59/28/76/885592876.db2.gz BQAXVSIEPIFEFU-NXEZZACHSA-N 0 3 296.327 -1.794 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(Cc2ncn(C)n2)C1=O ZINC001335210158 885593104 /nfs/dbraw/zinc/59/31/04/885593104.db2.gz HHPLSPXPMGRWIJ-ZETCQYMHSA-N 0 3 252.278 -1.203 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001335215231 885593400 /nfs/dbraw/zinc/59/34/00/885593400.db2.gz BQAXVSIEPIFEFU-UWVGGRQHSA-N 0 3 296.327 -1.794 20 0 CAADHN CN(C)C[C@H]1NC(=O)N([C@H]2CC(=O)N(C)C2)C1=O ZINC001335207262 885594588 /nfs/dbraw/zinc/59/45/88/885594588.db2.gz PJIAZMYGUWITAK-JGVFFNPUSA-N 0 3 254.290 -1.301 20 0 CAADHN COCCN1CC[C@@H](N2C(=O)N[C@H](CO)C2=O)C1 ZINC001335228370 885595698 /nfs/dbraw/zinc/59/56/98/885595698.db2.gz MAJGDJMUJLBRRD-RKDXNWHRSA-N 0 3 257.290 -1.380 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CCO1 ZINC001335242452 885599427 /nfs/dbraw/zinc/59/94/27/885599427.db2.gz XHUVZXWEPQVOKB-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCCNCC2)CO1 ZINC001335240404 885600397 /nfs/dbraw/zinc/60/03/97/885600397.db2.gz ISGZJHDTUSIYOP-WDEREUQCSA-N 0 3 284.360 -1.699 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC001335246042 885600698 /nfs/dbraw/zinc/60/06/98/885600698.db2.gz CVPVCFDZSUVLSA-XLPZGREQSA-N 0 3 277.346 -1.858 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCCNCC2)[C@@H](C)O1 ZINC001335255428 885603112 /nfs/dbraw/zinc/60/31/12/885603112.db2.gz LVLLSPRERDKVOC-UTUOFQBUSA-N 0 3 298.387 -1.310 20 0 CAADHN CO[C@H]1C[C@@H](CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC001335256197 885603940 /nfs/dbraw/zinc/60/39/40/885603940.db2.gz OLTPCYBNXVLCLV-TXEJJXNPSA-N 0 3 298.387 -1.451 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NCCN1CC[C@H](O)C1 ZINC001335298770 885609891 /nfs/dbraw/zinc/60/98/91/885609891.db2.gz NERHSHUEXVCGKQ-BDAKNGLRSA-N 0 3 269.301 -1.778 20 0 CAADHN C[C@H](CNCCN1CCS(=O)(=O)CC1)S(C)(=O)=O ZINC001335350494 885616477 /nfs/dbraw/zinc/61/64/77/885616477.db2.gz IKHDOMFGKMWHKP-SNVBAGLBSA-N 0 3 298.430 -1.261 20 0 CAADHN CC(=O)N1CCN(CCNCCS(C)(=O)=O)CC1 ZINC001335352438 885616827 /nfs/dbraw/zinc/61/68/27/885616827.db2.gz VBTZCZKCMYAMQP-UHFFFAOYSA-N 0 3 277.390 -1.215 20 0 CAADHN C[C@H](CC(=O)NCCN1CC[C@H](O)C1)NC(N)=O ZINC001335401663 885618061 /nfs/dbraw/zinc/61/80/61/885618061.db2.gz KKGBODXIYVFPQP-BDAKNGLRSA-N 0 3 258.322 -1.384 20 0 CAADHN Cn1cc(CNC[C@@H]2COCO2)c(=O)n(C)c1=O ZINC001335541405 885624346 /nfs/dbraw/zinc/62/43/46/885624346.db2.gz BFERRWOJLHROLC-SECBINFHSA-N 0 3 255.274 -1.454 20 0 CAADHN Cn1cc(CNC[C@H]2COCO2)c(=O)n(C)c1=O ZINC001335541408 885624971 /nfs/dbraw/zinc/62/49/71/885624971.db2.gz BFERRWOJLHROLC-VIFPVBQESA-N 0 3 255.274 -1.454 20 0 CAADHN Cn1nncc1CNC(=O)NC[C@@H]1CNCCO1 ZINC001335605549 885625664 /nfs/dbraw/zinc/62/56/64/885625664.db2.gz ZQNPARQIBYNAHF-VIFPVBQESA-N 0 3 254.294 -1.397 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CC=C[C@H]1CO ZINC001335672628 885628390 /nfs/dbraw/zinc/62/83/90/885628390.db2.gz ZUUSXTWEGKISQR-JTQLQIEISA-N 0 3 255.318 -1.234 20 0 CAADHN CN(C)C1(C(=O)NC[C@H]2C[C@H](NC(=O)C(N)=O)C2)CCC1 ZINC001335760898 885633916 /nfs/dbraw/zinc/63/39/16/885633916.db2.gz MYQDMAMNBXOYGE-MGCOHNPYSA-N 0 3 296.371 -1.033 20 0 CAADHN O=C(NCCC1CC1)C(=O)N1CCNCCNCC1 ZINC001335756833 885634132 /nfs/dbraw/zinc/63/41/32/885634132.db2.gz CJBDSTDINHADKM-UHFFFAOYSA-N 0 3 268.361 -1.076 20 0 CAADHN CO[C@H](C)CNC(=O)C(=O)N1CCNCCNCC1 ZINC001335795413 885637275 /nfs/dbraw/zinc/63/72/75/885637275.db2.gz VSSNDBCEFCDGNF-SNVBAGLBSA-N 0 3 272.349 -1.841 20 0 CAADHN CON(C)C(=O)CNC[C@@H](O)CC1(O)CCOCC1 ZINC001335845959 885640991 /nfs/dbraw/zinc/64/09/91/885640991.db2.gz YABQQEGPLDWWDL-JTQLQIEISA-N 0 3 276.333 -1.112 20 0 CAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(N)=O ZINC001335994869 885642823 /nfs/dbraw/zinc/64/28/23/885642823.db2.gz VPGVEOKFLFPHGU-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN COCCO[C@H]1C[C@@H](CO)CN(C[C@@H](O)CO)C1 ZINC001335957688 885643620 /nfs/dbraw/zinc/64/36/20/885643620.db2.gz FVHPJBVIPWYCNI-UTUOFQBUSA-N 0 3 263.334 -1.315 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2CN3CCC2CC3)c1=O ZINC001336080719 885645916 /nfs/dbraw/zinc/64/59/16/885645916.db2.gz LJXGXRHVWLWGTK-SNVBAGLBSA-N 0 3 265.317 -1.208 20 0 CAADHN O=C(CO)NCCC(=O)N[C@@H]1CN2CCC1CC2 ZINC001336055916 885646487 /nfs/dbraw/zinc/64/64/87/885646487.db2.gz QKXPISIOWCGPTL-SNVBAGLBSA-N 0 3 255.318 -1.305 20 0 CAADHN CC(=O)NCCN(C)C[C@H](O)C[C@@]1(O)CCOC1 ZINC001336072201 885646915 /nfs/dbraw/zinc/64/69/15/885646915.db2.gz YXQNQFKYQNNFJY-NEPJUHHUSA-N 0 3 260.334 -1.043 20 0 CAADHN CC(=O)NCCN(C)C[C@H](O)C[C@]1(O)CCOC1 ZINC001336072204 885647435 /nfs/dbraw/zinc/64/74/35/885647435.db2.gz YXQNQFKYQNNFJY-VXGBXAGGSA-N 0 3 260.334 -1.043 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)C[C@@]2(O)CCOC2)C1=O ZINC001336294260 885657310 /nfs/dbraw/zinc/65/73/10/885657310.db2.gz HZKHEMSQZDBNBY-NHCYSSNCSA-N 0 3 258.318 -1.291 20 0 CAADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1nnc(N)n1 ZINC001336612484 885672199 /nfs/dbraw/zinc/67/21/99/885672199.db2.gz UREWWOASMFIOOH-RKDXNWHRSA-N 0 3 265.321 -1.050 20 0 CAADHN O=C(N[C@@H]1C[C@H]1C1CC1)C(=O)N1CCNCCNCC1 ZINC001336632164 885672257 /nfs/dbraw/zinc/67/22/57/885672257.db2.gz RRXFLUXVGSSLLL-NWDGAFQWSA-N 0 3 280.372 -1.078 20 0 CAADHN CO[C@H]1C[C@H](CNC(=O)C(=O)N2CCNCCNCC2)C1 ZINC001336663156 885679175 /nfs/dbraw/zinc/67/91/75/885679175.db2.gz OLTPCYBNXVLCLV-HAQNSBGRSA-N 0 3 298.387 -1.451 20 0 CAADHN CO[C@@H]1COC[C@H]1NC[C@@H](O)C[C@]1(O)CCOC1 ZINC001336737908 885682390 /nfs/dbraw/zinc/68/23/90/885682390.db2.gz RQISZEOBGDUCNV-IRCOFANPSA-N 0 3 261.318 -1.108 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC001336976654 885690628 /nfs/dbraw/zinc/69/06/28/885690628.db2.gz BSIVEEQSCQBMQR-ZJUUUORDSA-N 0 3 259.306 -1.676 20 0 CAADHN NCc1nc2c(s1)CCN(C(=O)C1(O)CNC1)C2 ZINC001337052107 885691123 /nfs/dbraw/zinc/69/11/23/885691123.db2.gz GMNZRKOQBNYXJH-UHFFFAOYSA-N 0 3 268.342 -1.179 20 0 CAADHN CN(C)CCNC(=O)C(=O)Nc1cccc(C(N)=O)n1 ZINC001337226035 885695902 /nfs/dbraw/zinc/69/59/02/885695902.db2.gz UNBNBPGKXJDOPK-UHFFFAOYSA-N 0 3 279.300 -1.203 20 0 CAADHN CC[C@@H](C(=O)N[C@H](CO)CNC(=O)CC(N)=O)N(C)C ZINC001337609473 885711763 /nfs/dbraw/zinc/71/17/63/885711763.db2.gz UPAGXLWPEJQBLJ-IUCAKERBSA-N 0 3 288.348 -2.205 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cn(C)nn1 ZINC001337635704 885716056 /nfs/dbraw/zinc/71/60/56/885716056.db2.gz GYFUIPBOJWPHSM-ZETCQYMHSA-N 0 3 254.294 -1.180 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NC(=O)CC(N)=O)N(C)C ZINC001337750750 885718200 /nfs/dbraw/zinc/71/82/00/885718200.db2.gz ILIZSCMEVBTHGL-RKDXNWHRSA-N 0 3 288.348 -2.205 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@@H](CO)CNC(=O)C(N)=O)N(C)C ZINC001337839775 885724862 /nfs/dbraw/zinc/72/48/62/885724862.db2.gz MUVPCMMNQIAHJQ-BDAKNGLRSA-N 0 3 288.348 -2.349 20 0 CAADHN CO[C@@H]1CC[C@H]1N(C)C(=O)C(=O)N1CCNCCNCC1 ZINC001337850356 885726391 /nfs/dbraw/zinc/72/63/91/885726391.db2.gz OOHHSDRSSIBFTC-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CO[C@H]1CC[C@H]1N(C)C(=O)C(=O)N1CCNCCNCC1 ZINC001337850353 885726522 /nfs/dbraw/zinc/72/65/22/885726522.db2.gz OOHHSDRSSIBFTC-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1C[C@@H](C)N(C(=O)C(N)=O)C1 ZINC001338147633 885732269 /nfs/dbraw/zinc/73/22/69/885732269.db2.gz QPZJQDRWJZBTAG-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CN1C[C@@H](NC(=O)C(=O)N2CCNCCNCC2)CC1=O ZINC001338262632 885735176 /nfs/dbraw/zinc/73/51/76/885735176.db2.gz LEGNTDDFSRPJRO-JTQLQIEISA-N 0 3 297.359 -2.645 20 0 CAADHN O=C(NCc1ccncc1)C(=O)N1CCNCCNCC1 ZINC001338291254 885739650 /nfs/dbraw/zinc/73/96/50/885739650.db2.gz HRYSQXBUXQBGSY-UHFFFAOYSA-N 0 3 291.355 -1.281 20 0 CAADHN CN(C(=O)Cn1nnc(N)n1)[C@@H]1CN2CCC1CC2 ZINC001338846603 885760422 /nfs/dbraw/zinc/76/04/22/885760422.db2.gz IWNNOYVNCUIOOZ-SECBINFHSA-N 0 3 265.321 -1.192 20 0 CAADHN CN1C[C@H](O)C[C@]1(C)C(=O)NCCc1nnc[nH]1 ZINC001339085424 885764144 /nfs/dbraw/zinc/76/41/44/885764144.db2.gz CYQBRKYBYQWCBW-LDYMZIIASA-N 0 3 253.306 -1.082 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@H]1CN2CCC1CC2 ZINC001339092284 885766268 /nfs/dbraw/zinc/76/62/68/885766268.db2.gz ACSKFKYUJGITCL-NSHDSACASA-N 0 3 266.345 -1.371 20 0 CAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CC(N)=O ZINC001339396586 885770875 /nfs/dbraw/zinc/77/08/75/885770875.db2.gz MEAJIQDELGYEQV-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CN(CCNC(=O)c1ccc[n+]([O-])c1)CCOCCO ZINC001339882277 885781573 /nfs/dbraw/zinc/78/15/73/885781573.db2.gz QWYYSSTWKDBXET-UHFFFAOYSA-N 0 3 283.328 -1.010 20 0 CAADHN NC(=O)N1CCCN(S(=O)(=O)C2CNC2)CC1 ZINC001339930932 885783535 /nfs/dbraw/zinc/78/35/35/885783535.db2.gz AQCVDVNCZDHIJQ-UHFFFAOYSA-N 0 3 262.335 -1.626 20 0 CAADHN CN(CCOCCO)Cc1cn(C)c(=O)n(C)c1=O ZINC001339937468 885783804 /nfs/dbraw/zinc/78/38/04/885783804.db2.gz PKLASXSKIIEJHH-UHFFFAOYSA-N 0 3 271.317 -1.475 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@H]1CNCCN1C)C1CC1 ZINC001339968478 885784406 /nfs/dbraw/zinc/78/44/06/885784406.db2.gz HTBGCWYYWDHLNS-ZJUUUORDSA-N 0 3 255.318 -1.042 20 0 CAADHN CN1C(=S)N=NC1CCNC(=O)[C@H]1CNCCN1C ZINC001339918197 885784664 /nfs/dbraw/zinc/78/46/64/885784664.db2.gz BTMVBINVGJGIHJ-MRVPVSSYSA-N 0 3 284.389 -1.334 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(Cc2cnn(C)n2)C1=O ZINC001339982205 885786750 /nfs/dbraw/zinc/78/67/50/885786750.db2.gz YGMGEBXCABPREC-QMMMGPOBSA-N 0 3 252.278 -1.203 20 0 CAADHN COCCN1CCN(C(=O)[C@@H](N)C(C)(C)O)CC1 ZINC001340026445 885788681 /nfs/dbraw/zinc/78/86/81/885788681.db2.gz KABSTAVHLRBPMY-SNVBAGLBSA-N 0 3 259.350 -1.125 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)[C@@H](C)CN1 ZINC001340129362 885792236 /nfs/dbraw/zinc/79/22/36/885792236.db2.gz UVRRXAFZAMMAGK-CSMHCCOUSA-N 0 3 254.290 -1.207 20 0 CAADHN Cc1nc2n(n1)CCN(C(=O)[C@H]1CNCCN1C)C2 ZINC001340221375 885799461 /nfs/dbraw/zinc/79/94/61/885799461.db2.gz CKPPXXCEURUNIK-SNVBAGLBSA-N 0 3 264.333 -1.168 20 0 CAADHN N[C@H](CO)C(=O)N1CCNC[C@@H]1c1ccncc1 ZINC001340335626 885802391 /nfs/dbraw/zinc/80/23/91/885802391.db2.gz YUWNNMHCIPEKAV-GHMZBOCLSA-N 0 3 250.302 -1.126 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC[C@H]1CNCCO1 ZINC001340471306 885802661 /nfs/dbraw/zinc/80/26/61/885802661.db2.gz JJWZMDHRCWNMNN-SECBINFHSA-N 0 3 256.306 -2.477 20 0 CAADHN O=C(CCn1cncn1)N[C@H]1COC2(CNC2)C1 ZINC001340616521 885804944 /nfs/dbraw/zinc/80/49/44/885804944.db2.gz UBKPWFJBYZDPJX-SECBINFHSA-N 0 3 251.290 -1.085 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H]1COC2(CNC2)C1 ZINC001340615471 885806231 /nfs/dbraw/zinc/80/62/31/885806231.db2.gz OJBUFNBAHLHOOO-MRVPVSSYSA-N 0 3 262.331 -1.332 20 0 CAADHN COC(=O)CC[C@@H](N)C(=O)NC[C@H]1COCCO1 ZINC001340605315 885806102 /nfs/dbraw/zinc/80/61/02/885806102.db2.gz WUYPRUWVIWXFFX-DTWKUNHWSA-N 0 3 260.290 -1.202 20 0 CAADHN C[C@@]1(C(=O)N[C@H]2COC3(CNC3)C2)CCC(=O)N1 ZINC001340614857 885806412 /nfs/dbraw/zinc/80/64/12/885806412.db2.gz LEGONKXJCOZPNX-KCJUWKMLSA-N 0 3 253.302 -1.098 20 0 CAADHN C[C@@H](Cn1cncn1)NC(=O)[C@H]1CNCCN1C ZINC001340605952 885806549 /nfs/dbraw/zinc/80/65/49/885806549.db2.gz PZQJWZAPNMWADB-VHSXEESVSA-N 0 3 252.322 -1.314 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H](N)CO ZINC001340738292 885811461 /nfs/dbraw/zinc/81/14/61/885811461.db2.gz HTSDDIMUWAKGOM-SECBINFHSA-N 0 3 260.338 -2.216 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001340739534 885812075 /nfs/dbraw/zinc/81/20/75/885812075.db2.gz VDFLZBBCTKZFBD-DTWKUNHWSA-N 0 3 253.302 -1.146 20 0 CAADHN NOCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001340853586 885815180 /nfs/dbraw/zinc/81/51/80/885815180.db2.gz OITMZHFRZHMJSP-UHFFFAOYSA-N 0 3 270.333 -1.357 20 0 CAADHN C[C@@H]1CN(CCNC(=O)[C@@H](N)C(C)(C)O)CCO1 ZINC001340838288 885815579 /nfs/dbraw/zinc/81/55/79/885815579.db2.gz IHMIZSXMHPMRJI-NXEZZACHSA-N 0 3 259.350 -1.079 20 0 CAADHN C[C@H]1CN(CCNC(=O)[C@@H](N)C(C)(C)O)CCO1 ZINC001340838290 885816062 /nfs/dbraw/zinc/81/60/62/885816062.db2.gz IHMIZSXMHPMRJI-VHSXEESVSA-N 0 3 259.350 -1.079 20 0 CAADHN C[C@@H](CN1CCOCC1)NC(=O)[C@@H](N)C(C)(C)O ZINC001340810070 885817483 /nfs/dbraw/zinc/81/74/83/885817483.db2.gz UTHJHOHBHBOTMO-VHSXEESVSA-N 0 3 259.350 -1.079 20 0 CAADHN CC[C@H](C)[C@H](NC(=O)[C@H]1CNCCN1C)C(N)=O ZINC001340981587 885822498 /nfs/dbraw/zinc/82/24/98/885822498.db2.gz CSFFLPQYCRZTEI-AEJSXWLSSA-N 0 3 256.350 -1.094 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H]1CNCCN1C ZINC001340983384 885823134 /nfs/dbraw/zinc/82/31/34/885823134.db2.gz LPEWGQQWOZWPEZ-OPRDCNLKSA-N 0 3 255.318 -1.185 20 0 CAADHN COC[C@H](N)C(=O)N[C@H](C)[C@H]1CN(C)CCN1C ZINC001341940445 885864753 /nfs/dbraw/zinc/86/47/53/885864753.db2.gz IZMYFIINUFWAQU-OUAUKWLOSA-N 0 3 258.366 -1.289 20 0 CAADHN Cn1cnc(CCCNC(=O)[C@H]2CNCCN2C)n1 ZINC001341161357 885827410 /nfs/dbraw/zinc/82/74/10/885827410.db2.gz AIQSLEWTSUYTLZ-SNVBAGLBSA-N 0 3 266.349 -1.233 20 0 CAADHN CN1CCO[C@H](C(=O)N2CCC3(CC2)CNCCO3)C1=O ZINC001341312974 885834215 /nfs/dbraw/zinc/83/42/15/885834215.db2.gz GOMIXYXEHHMRBI-NSHDSACASA-N 0 3 297.355 -1.175 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CCC3(CC2)CNCCO3)C1=O ZINC001341312973 885834291 /nfs/dbraw/zinc/83/42/91/885834291.db2.gz GOMIXYXEHHMRBI-LLVKDONJSA-N 0 3 297.355 -1.175 20 0 CAADHN O=C(CCCN1C(=O)CNC1=O)N[C@@H]1COC2(CNC2)C1 ZINC001341369263 885834912 /nfs/dbraw/zinc/83/49/12/885834912.db2.gz RSINYCNMRXVUAZ-VIFPVBQESA-N 0 3 296.327 -1.435 20 0 CAADHN O=C(CCn1cnnn1)N1CCOC2(CNC2)C1 ZINC001341435883 885838245 /nfs/dbraw/zinc/83/82/45/885838245.db2.gz XPWGCQUUJOJXSX-UHFFFAOYSA-N 0 3 252.278 -1.736 20 0 CAADHN Cn1cc([C@@H](O)C(=O)N[C@H]2COC3(CNC3)C2)cn1 ZINC001341370271 885838392 /nfs/dbraw/zinc/83/83/92/885838392.db2.gz WBLVMGFLPSLZQL-NXEZZACHSA-N 0 3 266.301 -1.299 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCCCN1C(=O)CNC1=O ZINC001341438131 885842161 /nfs/dbraw/zinc/84/21/61/885842161.db2.gz SJFYQOYCYCPDGP-VIFPVBQESA-N 0 3 283.332 -2.052 20 0 CAADHN CN(C)C1(C(=O)N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2O)CCC1 ZINC001341512845 885842416 /nfs/dbraw/zinc/84/24/16/885842416.db2.gz AFAFDAFAIURMGE-RKDXNWHRSA-N 0 3 298.343 -2.356 20 0 CAADHN CN1CCNC[C@H]1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001341568010 885845506 /nfs/dbraw/zinc/84/55/06/885845506.db2.gz UHMLFEBNALBKTO-ONGXEEELSA-N 0 3 266.345 -1.231 20 0 CAADHN N[C@H](Cc1ccccn1)C(=O)N1CCNC[C@@H]1CO ZINC001341580000 885848982 /nfs/dbraw/zinc/84/89/82/885848982.db2.gz MVCNJKZYVLTUKF-VXGBXAGGSA-N 0 3 264.329 -1.256 20 0 CAADHN CN1C[C@@H](C(=O)NCCN2CCCC2)NCC1=O ZINC001341630903 885849484 /nfs/dbraw/zinc/84/94/84/885849484.db2.gz VHZUZVVMZWQHAZ-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN N[C@H](Cc1ccccn1)C(=O)N1CCNC[C@H]1CO ZINC001341579988 885849750 /nfs/dbraw/zinc/84/97/50/885849750.db2.gz MVCNJKZYVLTUKF-NWDGAFQWSA-N 0 3 264.329 -1.256 20 0 CAADHN C[C@@H]1[C@H](C)N(C[C@H](O)CO)CCN1C[C@H](O)CO ZINC001341692055 885852669 /nfs/dbraw/zinc/85/26/69/885852669.db2.gz GCWWZKPUSSJERO-USZNOCQGSA-N 0 3 262.350 -1.913 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)NCC1=O ZINC001341673000 885853129 /nfs/dbraw/zinc/85/31/29/885853129.db2.gz SIXNIWOLWKAOHK-MWLCHTKSSA-N 0 3 266.345 -1.231 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)NCC1=O ZINC001341672999 885853677 /nfs/dbraw/zinc/85/36/77/885853677.db2.gz SIXNIWOLWKAOHK-KOLCDFICSA-N 0 3 266.345 -1.231 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN(C[C@H](O)CO)C1 ZINC001341786601 885856791 /nfs/dbraw/zinc/85/67/91/885856791.db2.gz VPHLCNUDOXDSKM-ZJUUUORDSA-N 0 3 266.363 -1.399 20 0 CAADHN CC(C)(C(=O)N1CCNCCNCC1)S(C)(=O)=O ZINC001341854612 885861358 /nfs/dbraw/zinc/86/13/58/885861358.db2.gz UYYLESGCALIUOL-UHFFFAOYSA-N 0 3 277.390 -1.169 20 0 CAADHN O=C(C[C@@H]1CCCS1(=O)=O)N1CCNCCNCC1 ZINC001341842072 885861677 /nfs/dbraw/zinc/86/16/77/885861677.db2.gz ZSHFRDIPBHWOME-NSHDSACASA-N 0 3 289.401 -1.025 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@@H]2COC3(CNC3)C2)C1=O ZINC001341976963 885864709 /nfs/dbraw/zinc/86/47/09/885864709.db2.gz XUXOYGCARWERBF-IUCAKERBSA-N 0 3 269.301 -1.909 20 0 CAADHN COC[C@H](N)C(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC001341940446 885865259 /nfs/dbraw/zinc/86/52/59/885865259.db2.gz IZMYFIINUFWAQU-VWYCJHECSA-N 0 3 258.366 -1.289 20 0 CAADHN CC(C)(N)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 ZINC001342121518 885871827 /nfs/dbraw/zinc/87/18/27/885871827.db2.gz AUJRNZNEBZHLNG-MRVPVSSYSA-N 0 3 264.347 -1.004 20 0 CAADHN CC(C)(N)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001342121524 885872435 /nfs/dbraw/zinc/87/24/35/885872435.db2.gz AUJRNZNEBZHLNG-QMMMGPOBSA-N 0 3 264.347 -1.004 20 0 CAADHN C[C@H]([NH3+])CO[N-]C(=O)CC1(n2cnnn2)CCOCC1 ZINC001342077068 885873682 /nfs/dbraw/zinc/87/36/82/885873682.db2.gz MSSXWSVOCLAEKM-VIFPVBQESA-N 0 3 284.320 -1.036 20 0 CAADHN O=C(N[C@H]1COC2(CNC2)C1)[C@@H]1CCCNC1=O ZINC001342215542 885875113 /nfs/dbraw/zinc/87/51/13/885875113.db2.gz MDBZQCZWQQUIJV-RKDXNWHRSA-N 0 3 253.302 -1.240 20 0 CAADHN O=C(N[C@@H]1COC2(CNC2)C1)C1(n2cnnn2)CC1 ZINC001342215322 885875555 /nfs/dbraw/zinc/87/55/55/885875555.db2.gz JRZZBRBVHZECHS-QMMMGPOBSA-N 0 3 264.289 -1.591 20 0 CAADHN COC[C@H]1CNCCN1C(=O)C[C@H]1COCCN1 ZINC001342293988 885878790 /nfs/dbraw/zinc/87/87/90/885878790.db2.gz GOMYIBAXDPBYHN-WDEREUQCSA-N 0 3 257.334 -1.188 20 0 CAADHN O=C([C@@H]1CCCNC1=O)N1CCOC2(CNC2)C1 ZINC001342286833 885880307 /nfs/dbraw/zinc/88/03/07/885880307.db2.gz YGICPZXLEXUTMZ-SECBINFHSA-N 0 3 253.302 -1.287 20 0 CAADHN CC[C@@H](CO)NCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001342405667 885886429 /nfs/dbraw/zinc/88/64/29/885886429.db2.gz JCCJSMBQVZWFGG-DTWKUNHWSA-N 0 3 264.347 -1.350 20 0 CAADHN CC[C@H](CO)NCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001342405665 885887828 /nfs/dbraw/zinc/88/78/28/885887828.db2.gz JCCJSMBQVZWFGG-BDAKNGLRSA-N 0 3 264.347 -1.350 20 0 CAADHN C[C@@]1(C(=O)N2CCNCCNCC2)CCCS1(=O)=O ZINC001342705603 885896371 /nfs/dbraw/zinc/89/63/71/885896371.db2.gz WJVWDHZYAVUTPL-LBPRGKRZSA-N 0 3 289.401 -1.025 20 0 CAADHN C[C@]1(C(=O)N2CCNCCNCC2)CCCS1(=O)=O ZINC001342705602 885897414 /nfs/dbraw/zinc/89/74/14/885897414.db2.gz WJVWDHZYAVUTPL-GFCCVEGCSA-N 0 3 289.401 -1.025 20 0 CAADHN O=C(Cn1cnnn1)N1CCC2(CC1)CNCCO2 ZINC001342710257 885897491 /nfs/dbraw/zinc/89/74/91/885897491.db2.gz CWEBPWDMCKCZSO-UHFFFAOYSA-N 0 3 266.305 -1.346 20 0 CAADHN CCN(CCO)CCNC(=O)C(=O)Nc1cnn(C)c1 ZINC001342734246 885898241 /nfs/dbraw/zinc/89/82/41/885898241.db2.gz UGMRBGYGUZEZTR-UHFFFAOYSA-N 0 3 283.332 -1.211 20 0 CAADHN COCCNCC(=O)N1CCO[C@H](CS(C)(=O)=O)C1 ZINC001342870140 885900832 /nfs/dbraw/zinc/90/08/32/885900832.db2.gz VCCNGFFYFJLMET-JTQLQIEISA-N 0 3 294.373 -1.506 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC001343022435 885904866 /nfs/dbraw/zinc/90/48/66/885904866.db2.gz QVHNPUKRXWTUKO-SDDRHHMPSA-N 0 3 269.345 -1.094 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCCCN1C(=O)CCC1=O ZINC001343247995 885907632 /nfs/dbraw/zinc/90/76/32/885907632.db2.gz KDFGSUCZNZAOMV-JTQLQIEISA-N 0 3 282.344 -1.455 20 0 CAADHN Cn1cc(CN2C[C@H]3C[C@@]3(CO)C2)c(=O)n(C)c1=O ZINC001343301097 885911469 /nfs/dbraw/zinc/91/14/69/885911469.db2.gz SESNIFOFLXAHNX-MFKMUULPSA-N 0 3 265.313 -1.102 20 0 CAADHN CCn1cnnc1CCNC(=O)[C@H]1CNCCN1C ZINC001343426549 885913535 /nfs/dbraw/zinc/91/35/35/885913535.db2.gz YCHOCCUJHQHVQU-SNVBAGLBSA-N 0 3 266.349 -1.140 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2COC3(CNC3)C2)cc1=O ZINC001343820870 885927082 /nfs/dbraw/zinc/92/70/82/885927082.db2.gz QIOLQIJEOMFHLA-QMMMGPOBSA-N 0 3 264.285 -1.359 20 0 CAADHN CN1CCO[C@H](C(=O)N2CCOC3(CNC3)C2)C1=O ZINC001344091711 885933073 /nfs/dbraw/zinc/93/30/73/885933073.db2.gz CJQATMVFZGYMGV-VIFPVBQESA-N 0 3 269.301 -1.956 20 0 CAADHN CN1C[C@@H](C(=O)N2CCOC3(CNC3)C2)NCC1=O ZINC001344093886 885934898 /nfs/dbraw/zinc/93/48/98/885934898.db2.gz WXZOBWHQVVSMRY-VIFPVBQESA-N 0 3 268.317 -2.383 20 0 CAADHN CC[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)C(N)=O)C1)N(C)C ZINC001344230499 885937132 /nfs/dbraw/zinc/93/71/32/885937132.db2.gz IXEDNBFKVWFEDI-KXUCPTDWSA-N 0 3 284.360 -1.177 20 0 CAADHN CC[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)C(N)=O)N(C)C ZINC001344182723 885937572 /nfs/dbraw/zinc/93/75/72/885937572.db2.gz QCVRUKRCSMHWFE-VHSXEESVSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)C(N)=O)C1 ZINC001344231521 885939861 /nfs/dbraw/zinc/93/98/61/885939861.db2.gz ZSGDDUIEAIFRPU-AOOOYVTPSA-N 0 3 284.360 -1.177 20 0 CAADHN NCc1cc(C(=O)N2CCNC[C@H]2CO)ccn1 ZINC001344517260 885943950 /nfs/dbraw/zinc/94/39/50/885943950.db2.gz JZBRGJGHDVDTDY-NSHDSACASA-N 0 3 250.302 -1.053 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@@H]1CNCCO1 ZINC001345898022 885974512 /nfs/dbraw/zinc/97/45/12/885974512.db2.gz ZPDZIKXAAACNHG-QMMMGPOBSA-N 0 3 265.335 -1.970 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC001344769264 885949845 /nfs/dbraw/zinc/94/98/45/885949845.db2.gz CIGIEUYPUUMHMH-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN CC[C@H](N)C(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001345057456 885955241 /nfs/dbraw/zinc/95/52/41/885955241.db2.gz AMJREBZDLPFIJM-YIZRAAEISA-N 0 3 261.347 -1.679 20 0 CAADHN CCS(=O)(=O)CCNC[C@H](O)C[C@@]1(O)CCOC1 ZINC001345183421 885959023 /nfs/dbraw/zinc/95/90/23/885959023.db2.gz PHCNEHKZDZCMNH-MNOVXSKESA-N 0 3 281.374 -1.087 20 0 CAADHN Cc1nnc(CNC(=O)C(=O)NCCN(C)C2CC2)n1C ZINC001345359277 885959256 /nfs/dbraw/zinc/95/92/56/885959256.db2.gz RMCHDFRAUHUFDL-UHFFFAOYSA-N 0 3 294.359 -1.050 20 0 CAADHN Cn1nccc1[C@H](O)CNC(=O)C[C@H]1CNCCO1 ZINC001345233746 885959684 /nfs/dbraw/zinc/95/96/84/885959684.db2.gz ZXJAWXXZSQRLTD-GXSJLCMTSA-N 0 3 268.317 -1.052 20 0 CAADHN CCS(=O)(=O)NCCNCCC(=O)NC(N)=O ZINC001345607635 885965468 /nfs/dbraw/zinc/96/54/68/885965468.db2.gz ZHRKXGNYEREKOS-UHFFFAOYSA-N 0 3 266.323 -1.900 20 0 CAADHN C[C@@H](N)C(=O)NCC(=O)NCCN1CCOCC1 ZINC001345791403 885969033 /nfs/dbraw/zinc/96/90/33/885969033.db2.gz BIOCQMZRKZTRDO-SECBINFHSA-N 0 3 258.322 -2.102 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@H]1CNCCO1 ZINC001345898021 885974258 /nfs/dbraw/zinc/97/42/58/885974258.db2.gz ZPDZIKXAAACNHG-MRVPVSSYSA-N 0 3 265.335 -1.970 20 0 CAADHN COCCNCC(=O)N1CCO[C@@H](CNC(C)=O)C1 ZINC001346030100 885980463 /nfs/dbraw/zinc/98/04/63/885980463.db2.gz ZAUMYXCGDYPOHG-NSHDSACASA-N 0 3 273.333 -1.414 20 0 CAADHN COCCNCC(=O)N1CCO[C@H](CNC(C)=O)C1 ZINC001346030099 885982766 /nfs/dbraw/zinc/98/27/66/885982766.db2.gz ZAUMYXCGDYPOHG-LLVKDONJSA-N 0 3 273.333 -1.414 20 0 CAADHN Cn1nccc1NC(=O)C1CNCCS1(=O)=O ZINC001346068246 885985721 /nfs/dbraw/zinc/98/57/21/885985721.db2.gz KOBKXVWERZINFI-SSDOTTSWSA-N 0 3 258.303 -1.255 20 0 CAADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC001346193539 885992760 /nfs/dbraw/zinc/99/27/60/885992760.db2.gz GACDAQCDJRBJNP-SNVBAGLBSA-N 0 3 296.371 -1.114 20 0 CAADHN CN(C)S(=O)(=O)NCCNC[C@@](C)(O)C(F)F ZINC001346299826 885996879 /nfs/dbraw/zinc/99/68/79/885996879.db2.gz OWBSLVLAZLWZGR-MRVPVSSYSA-N 0 3 275.321 -1.012 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CCC[C@@H](O)C1 ZINC001346281356 885997249 /nfs/dbraw/zinc/99/72/49/885997249.db2.gz IAKUZGPMKZFDPE-ZJUUUORDSA-N 0 3 271.317 -1.926 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001346554792 886012542 /nfs/dbraw/zinc/01/25/42/886012542.db2.gz NOFHJTRCEURVCZ-GDNZZTSVSA-N 0 3 299.371 -1.216 20 0 CAADHN O=C1N[C@@]2(CCOC2)C(=O)N1C[C@H]1CNCCO1 ZINC001346687982 886017159 /nfs/dbraw/zinc/01/71/59/886017159.db2.gz JKUDLLPUVNWPRL-LDYMZIIASA-N 0 3 255.274 -1.314 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CCC(=O)N(C)CC1 ZINC001347020412 886023595 /nfs/dbraw/zinc/02/35/95/886023595.db2.gz NCEGMEDSAYCQKN-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN O=C(Cn1ncnn1)N[C@H](CO)CN1CCCCC1 ZINC001347055668 886023823 /nfs/dbraw/zinc/02/38/23/886023823.db2.gz MLMUBUSIMYSQBV-JTQLQIEISA-N 0 3 268.321 -1.364 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)Nc1ncn(C)n1 ZINC001347658401 886047792 /nfs/dbraw/zinc/04/77/92/886047792.db2.gz RNLVRNRYUNLOIV-UHFFFAOYSA-N 0 3 298.347 -1.162 20 0 CAADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ncn(C)n3)[C@@H]2C1 ZINC001347679011 886049835 /nfs/dbraw/zinc/04/98/35/886049835.db2.gz VGGKGYFCQNETBC-RKDXNWHRSA-N 0 3 278.316 -1.084 20 0 CAADHN Cc1nnc(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)[nH]1 ZINC001347806948 886054860 /nfs/dbraw/zinc/05/48/60/886054860.db2.gz RUCLKHTYHLNJHV-VHSXEESVSA-N 0 3 265.317 -1.067 20 0 CAADHN Cn1cc(CCN(CCO)CCOCCO)nn1 ZINC001348168898 886065890 /nfs/dbraw/zinc/06/58/90/886065890.db2.gz KQOGUIOOPIIXGZ-UHFFFAOYSA-N 0 3 258.322 -1.339 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC001348320323 886071773 /nfs/dbraw/zinc/07/17/73/886071773.db2.gz LBSZJYJNUSZEPR-SECBINFHSA-N 0 3 291.373 -1.513 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC001348320325 886073337 /nfs/dbraw/zinc/07/33/37/886073337.db2.gz LBSZJYJNUSZEPR-VIFPVBQESA-N 0 3 291.373 -1.513 20 0 CAADHN CCn1ncc(CNC(=O)C(=O)NC[C@@H]2CNCCO2)n1 ZINC001348333411 886074852 /nfs/dbraw/zinc/07/48/52/886074852.db2.gz MWUGREDXXHVAJP-JTQLQIEISA-N 0 3 296.331 -1.981 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)CNC(C)=O)N(C)C ZINC001348344621 886075129 /nfs/dbraw/zinc/07/51/29/886075129.db2.gz ZNYGKPWOOSULKU-JTQLQIEISA-N 0 3 272.349 -1.305 20 0 CAADHN CCn1ncc(CNC(=O)C(=O)NC[C@H]2CNCCO2)n1 ZINC001348333420 886075201 /nfs/dbraw/zinc/07/52/01/886075201.db2.gz MWUGREDXXHVAJP-SNVBAGLBSA-N 0 3 296.331 -1.981 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)[C@@H]1COCCO1)N(C)C ZINC001348515167 886087279 /nfs/dbraw/zinc/08/72/79/886087279.db2.gz NXGOJBPYDSPOBM-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@@H]1COCCO1)N(C)C ZINC001348515168 886088443 /nfs/dbraw/zinc/08/84/43/886088443.db2.gz NXGOJBPYDSPOBM-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)NCc1nc[nH]n1 ZINC001348570857 886092607 /nfs/dbraw/zinc/09/26/07/886092607.db2.gz SKSNVCMGAARJIX-BDAKNGLRSA-N 0 3 250.306 -1.191 20 0 CAADHN CN(C)CCNC(=O)C(=O)Nc1cc2n(n1)CCN(C)C2 ZINC001348911988 886105519 /nfs/dbraw/zinc/10/55/19/886105519.db2.gz BWSBFYLPOYXKGP-UHFFFAOYSA-N 0 3 294.359 -1.055 20 0 CAADHN Cn1cc(C(=O)C(=O)NC[C@@H]2CNCCO2)cn1 ZINC001348942940 886110124 /nfs/dbraw/zinc/11/01/24/886110124.db2.gz IGGMHFVTOWYTAV-VIFPVBQESA-N 0 3 252.274 -1.293 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CNCCO2)c(=O)[nH]c1=O ZINC001349092321 886112751 /nfs/dbraw/zinc/11/27/51/886112751.db2.gz APFFOYZZKMKLED-SSDOTTSWSA-N 0 3 268.273 -1.796 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001349049384 886112857 /nfs/dbraw/zinc/11/28/57/886112857.db2.gz GWHYGUXZHPJQMR-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN O=C(CCc1cnc[nH]1)NCCNC(=O)Cc1nc[nH]n1 ZINC001349201699 886119715 /nfs/dbraw/zinc/11/97/15/886119715.db2.gz AMNSPBUVFNTSDI-UHFFFAOYSA-N 0 3 291.315 -1.065 20 0 CAADHN COC(=O)Cc1nc(NC(=O)COCC[NH3+])n[n-]1 ZINC001349398304 886124643 /nfs/dbraw/zinc/12/46/43/886124643.db2.gz IAHYNBRMCIFWJV-UHFFFAOYSA-N 0 3 257.250 -1.566 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001349381099 886125550 /nfs/dbraw/zinc/12/55/50/886125550.db2.gz BKCSKVWTOLSWBF-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN NCC(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001349409834 886125899 /nfs/dbraw/zinc/12/58/99/886125899.db2.gz HCLHURVATDEUSG-UHFFFAOYSA-N 0 3 251.308 -2.277 20 0 CAADHN CC(C)[C@H](C(=O)NCCNC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001349430876 886129375 /nfs/dbraw/zinc/12/93/75/886129375.db2.gz IHLPICRZSBAYCR-VHSXEESVSA-N 0 3 299.375 -1.514 20 0 CAADHN CC(C)[C@H](C(=O)NCCNC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001349430874 886129692 /nfs/dbraw/zinc/12/96/92/886129692.db2.gz IHLPICRZSBAYCR-NXEZZACHSA-N 0 3 299.375 -1.514 20 0 CAADHN C[C@H]1CCCN1CC(=O)NCCNC(=O)C1(C(N)=O)CC1 ZINC001349538050 886134240 /nfs/dbraw/zinc/13/42/40/886134240.db2.gz JOHXIBUKJSRREH-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NCCNC(=O)C1(C(N)=O)CC1 ZINC001349538051 886136005 /nfs/dbraw/zinc/13/60/05/886136005.db2.gz JOHXIBUKJSRREH-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN c1nnnn1CCN1CCCN(CCn2cnnn2)CC1 ZINC001349636365 886141416 /nfs/dbraw/zinc/14/14/16/886141416.db2.gz JNKJNSHTJATHOX-UHFFFAOYSA-N 0 3 292.351 -1.633 20 0 CAADHN [NH3+]C[C@H](NC(=O)NN1CC(=O)[N-]C1=O)C(F)(F)F ZINC001349839239 886154557 /nfs/dbraw/zinc/15/45/57/886154557.db2.gz LBZSTQMNAZMSNR-VKHMYHEASA-N 0 3 269.183 -1.358 20 0 CAADHN [NH3+]C[C@@H](NC(=O)NN1CC(=O)[N-]C1=O)C(F)(F)F ZINC001349839233 886154924 /nfs/dbraw/zinc/15/49/24/886154924.db2.gz LBZSTQMNAZMSNR-GSVOUGTGSA-N 0 3 269.183 -1.358 20 0 CAADHN COC[C@H](C)NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001350045508 886157225 /nfs/dbraw/zinc/15/72/25/886157225.db2.gz KCWGJXXNGFJFOH-IUCAKERBSA-N 0 3 259.306 -1.758 20 0 CAADHN COC[C@H](C)NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC001350045507 886158013 /nfs/dbraw/zinc/15/80/13/886158013.db2.gz KCWGJXXNGFJFOH-DTWKUNHWSA-N 0 3 259.306 -1.758 20 0 CAADHN CN(C)CC(=O)N1CCN(C[C@H]2CNC(=O)C2)CC1 ZINC001350357393 886166379 /nfs/dbraw/zinc/16/63/79/886166379.db2.gz CXJJMMHWTNOUMH-LLVKDONJSA-N 0 3 268.361 -1.172 20 0 CAADHN CCn1cc(CNC(=O)C(=O)N2CCCNCC2)nn1 ZINC001350346917 886167557 /nfs/dbraw/zinc/16/75/57/886167557.db2.gz XCPOTQUAPFXWMY-UHFFFAOYSA-N 0 3 280.332 -1.264 20 0 CAADHN CO[C@@H](C)CNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC001350345722 886167768 /nfs/dbraw/zinc/16/77/68/886167768.db2.gz YNTYSYQDFNCUDX-DTWKUNHWSA-N 0 3 259.306 -1.758 20 0 CAADHN CCS(=O)(=O)CCNC(=O)C1=NO[C@H](CN)C1 ZINC001350396476 886170266 /nfs/dbraw/zinc/17/02/66/886170266.db2.gz CTHCUYNONDTBDT-ZETCQYMHSA-N 0 3 263.319 -1.359 20 0 CAADHN COCCOC[C@@H](O)CN[C@@H]1CCO[C@@H]1C(=O)OC ZINC001350388958 886170690 /nfs/dbraw/zinc/17/06/90/886170690.db2.gz ZKOMWCMXDCKSKB-AXFHLTTASA-N 0 3 277.317 -1.070 20 0 CAADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CSCN2)n1 ZINC001350420068 886175001 /nfs/dbraw/zinc/17/50/01/886175001.db2.gz WBTHSIRFZMACKL-ZETCQYMHSA-N 0 3 269.330 -1.080 20 0 CAADHN COC(=O)[C@@H](F)CNC(=O)C(=O)N(C)CCN(C)C ZINC001350555596 886177161 /nfs/dbraw/zinc/17/71/61/886177161.db2.gz QPLALICTLFLPJK-QMMMGPOBSA-N 0 3 277.296 -1.366 20 0 CAADHN CN(CCO)CCNC(=O)c1cnn(CCO)c1 ZINC001350540010 886178669 /nfs/dbraw/zinc/17/86/69/886178669.db2.gz XWQKPOWKAKDGNV-UHFFFAOYSA-N 0 3 256.306 -1.471 20 0 CAADHN CC(C)N(C)CC(=O)N(C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001350744176 886183859 /nfs/dbraw/zinc/18/38/59/886183859.db2.gz ODHWKIIBZKYBML-JTQLQIEISA-N 0 3 284.360 -1.129 20 0 CAADHN NC(=O)CCC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001350730831 886183866 /nfs/dbraw/zinc/18/38/66/886183866.db2.gz JCXBIAGWBMFPAK-VHSXEESVSA-N 0 3 255.318 -1.081 20 0 CAADHN CC[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)C(N)=O)C1)N(C)C ZINC001350742786 886184173 /nfs/dbraw/zinc/18/41/73/886184173.db2.gz IJIYNRMDAOSGOW-ZJUUUORDSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](NC(=O)C(=O)N[C@H]1CCNC1=O)C1=CCN(C)CC1 ZINC001350833301 886185222 /nfs/dbraw/zinc/18/52/22/886185222.db2.gz IIOOTDFDGCYBER-KOLCDFICSA-N 0 3 294.355 -1.242 20 0 CAADHN O=C(Cc1cnc[nH]1)NC[C@@]1(CO)COCCN1 ZINC001350829654 886185402 /nfs/dbraw/zinc/18/54/02/886185402.db2.gz QOECMNLRYBXVJF-LLVKDONJSA-N 0 3 254.290 -1.581 20 0 CAADHN O=C(CO)NCCC(=O)N1CC[C@@H](N2CCC2)C1 ZINC001350830078 886186556 /nfs/dbraw/zinc/18/65/56/886186556.db2.gz UKMUNFIBQHTJCO-SNVBAGLBSA-N 0 3 255.318 -1.208 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCC(CNC(=O)C(N)=O)CC1 ZINC001350960915 886188496 /nfs/dbraw/zinc/18/84/96/886188496.db2.gz BTTALBRMERWXAU-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCC(CNC(=O)C(N)=O)CC1 ZINC001350960914 886188857 /nfs/dbraw/zinc/18/88/57/886188857.db2.gz BTTALBRMERWXAU-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CC1(O)CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC001350964719 886189492 /nfs/dbraw/zinc/18/94/92/886189492.db2.gz LUMJXKVJGHAPFD-UHFFFAOYSA-N 0 3 298.387 -1.619 20 0 CAADHN CCCN(C)CC(=O)NC1CCN(C(=O)C(N)=O)CC1 ZINC001350925384 886191089 /nfs/dbraw/zinc/19/10/89/886191089.db2.gz FXTXFEDPRDEIJP-UHFFFAOYSA-N 0 3 284.360 -1.079 20 0 CAADHN NC(=O)c1ncn(CC(=O)N2CCN3CC[C@H]2C3)n1 ZINC001351023576 886196194 /nfs/dbraw/zinc/19/61/94/886196194.db2.gz MDJDUTOHULEZTO-QMMMGPOBSA-N 0 3 264.289 -1.707 20 0 CAADHN COC[C@]1(CO)CCN(c2nc(N)nc(N)n2)C1 ZINC001351350664 886208481 /nfs/dbraw/zinc/20/84/81/886208481.db2.gz FNIJOCCIIBWEDN-SNVBAGLBSA-N 0 3 254.294 -1.129 20 0 CAADHN O=C(C(=O)N1CCCNCC1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC001351694736 886222406 /nfs/dbraw/zinc/22/24/06/886222406.db2.gz OXNOFASQWGOLFC-NXEZZACHSA-N 0 3 281.312 -1.560 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CC2(C1)NC(=O)NC2=O ZINC001352136327 886237939 /nfs/dbraw/zinc/23/79/39/886237939.db2.gz PGQBECHIWBLMPB-VIFPVBQESA-N 0 3 293.327 -2.203 20 0 CAADHN CS(=O)(=O)C[C@@H](O)CNc1ccncc1CO ZINC001352088083 886238301 /nfs/dbraw/zinc/23/83/01/886238301.db2.gz YLHPPYPLDNYSNX-VIFPVBQESA-N 0 3 260.315 -1.187 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CC2(C1)NC(=O)NC2=O ZINC001352136326 886239029 /nfs/dbraw/zinc/23/90/29/886239029.db2.gz PGQBECHIWBLMPB-SECBINFHSA-N 0 3 293.327 -2.203 20 0 CAADHN O[C@@H]1CCN(C/C=C\CN2CC[C@@H](O)[C@@H](O)C2)C[C@@H]1O ZINC001352925484 886253625 /nfs/dbraw/zinc/25/36/25/886253625.db2.gz MRDIWEDKHWXNEK-YQQXMBKZSA-N 0 3 286.372 -1.602 20 0 CAADHN CN(CCNCc1cnnn1C)CCOCCO ZINC001353034521 886255593 /nfs/dbraw/zinc/25/55/93/886255593.db2.gz IZZXSJPZPOKMEQ-UHFFFAOYSA-N 0 3 257.338 -1.155 20 0 CAADHN CCN(C)C(C)(C)C(=O)N1CC[C@H](NC(=O)C(N)=O)C1 ZINC001352935089 886257120 /nfs/dbraw/zinc/25/71/20/886257120.db2.gz ZXWLSQSBSGYARO-VIFPVBQESA-N 0 3 284.360 -1.081 20 0 CAADHN CN1C[C@@H](CCNC(=O)C(=O)N2CCCNCC2)CC1=O ZINC001353170739 886262281 /nfs/dbraw/zinc/26/22/81/886262281.db2.gz KMKDXRFZVVGYNF-NSHDSACASA-N 0 3 296.371 -1.207 20 0 CAADHN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)C(=O)N1CCNCCNCC1 ZINC001353141337 886262964 /nfs/dbraw/zinc/26/29/64/886262964.db2.gz GICKEKLNTNHPMU-GDNZZTSVSA-N 0 3 280.372 -1.078 20 0 CAADHN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)C(=O)N1CCNCCNCC1 ZINC001353141339 886263334 /nfs/dbraw/zinc/26/33/34/886263334.db2.gz GICKEKLNTNHPMU-ZSBIGDGJSA-N 0 3 280.372 -1.078 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001353192353 886266728 /nfs/dbraw/zinc/26/67/28/886266728.db2.gz GQYJRBSVKGGUEZ-JTQLQIEISA-N 0 3 293.327 -1.243 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001353192354 886267765 /nfs/dbraw/zinc/26/77/65/886267765.db2.gz GQYJRBSVKGGUEZ-SNVBAGLBSA-N 0 3 293.327 -1.243 20 0 CAADHN COCCNC(=O)CNC[C@H](O)COC1CCOCC1 ZINC001353297091 886272347 /nfs/dbraw/zinc/27/23/47/886272347.db2.gz CPUGHXBOIWWTHC-NSHDSACASA-N 0 3 290.360 -1.105 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CNCCO2)[C@H](C)O1 ZINC001353311156 886276488 /nfs/dbraw/zinc/27/64/88/886276488.db2.gz RNKCSMOELDBTOW-YTWAJWBKSA-N 0 3 285.344 -1.227 20 0 CAADHN CS(=O)(=O)CCNC[C@@]1(OCCO)CCOC1 ZINC001353353976 886276972 /nfs/dbraw/zinc/27/69/72/886276972.db2.gz OCGPQLRTWIMCLU-JTQLQIEISA-N 0 3 267.347 -1.211 20 0 CAADHN CN1CC[N@H+](C)CC(C(=O)NCc2nn[n-]n2)C1 ZINC001353994890 886298326 /nfs/dbraw/zinc/29/83/26/886298326.db2.gz QXBAOENPIBCPKP-UHFFFAOYSA-N 0 3 253.310 -1.691 20 0 CAADHN CN1CC[N@@H+](C)CC(C(=O)NCc2nn[n-]n2)C1 ZINC001353994890 886298345 /nfs/dbraw/zinc/29/83/45/886298345.db2.gz QXBAOENPIBCPKP-UHFFFAOYSA-N 0 3 253.310 -1.691 20 0 CAADHN CNS(=O)(=O)CCN1C(=O)N[C@H](CN(C)C)C1=O ZINC001354206270 886302858 /nfs/dbraw/zinc/30/28/58/886302858.db2.gz XCZYMEZRFRZISO-SSDOTTSWSA-N 0 3 278.334 -1.982 20 0 CAADHN C[C@@H](C(=O)NCCN(C)CCOCCO)n1cncn1 ZINC001354171203 886302987 /nfs/dbraw/zinc/30/29/87/886302987.db2.gz QANUGXICICIQDJ-NSHDSACASA-N 0 3 285.348 -1.104 20 0 CAADHN CN(CCNC(=O)Cn1cncn1)CCOCCO ZINC001354171466 886303502 /nfs/dbraw/zinc/30/35/02/886303502.db2.gz RWKACZFNFGLACB-UHFFFAOYSA-N 0 3 271.321 -1.665 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)CCO1 ZINC001354246118 886307336 /nfs/dbraw/zinc/30/73/36/886307336.db2.gz DWURMSCPEBXPRH-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CNCCN2C)C1 ZINC001354358539 886308562 /nfs/dbraw/zinc/30/85/62/886308562.db2.gz NTPOIQFMBRURMP-MNOVXSKESA-N 0 3 254.334 -1.373 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)[C@H]1CNCCN1C ZINC001354449725 886312994 /nfs/dbraw/zinc/31/29/94/886312994.db2.gz IFGIRBLIWVQSNI-DTWKUNHWSA-N 0 3 258.322 -1.586 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)NC(=O)CN1CCC(C)(C)C1 ZINC001354686045 886320757 /nfs/dbraw/zinc/32/07/57/886320757.db2.gz QFGMMPSTFFCBTR-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN Cc1cc(NC(=O)C(=O)N2CCNCCNCC2)no1 ZINC001355027473 886329186 /nfs/dbraw/zinc/32/91/86/886329186.db2.gz GOMHBIXNMBWBFE-UHFFFAOYSA-N 0 3 281.316 -1.057 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCN1C ZINC001355386844 886336244 /nfs/dbraw/zinc/33/62/44/886336244.db2.gz WTSMYSLXKGKXLJ-SFYZADRCSA-N 0 3 254.290 -1.253 20 0 CAADHN C[C@@H]1[C@H](NC(=O)CN2C(=O)CNC2=O)CCN1C ZINC001355386801 886338285 /nfs/dbraw/zinc/33/82/85/886338285.db2.gz WTSMYSLXKGKXLJ-HTQZYQBOSA-N 0 3 254.290 -1.253 20 0 CAADHN CC(C)N(C)CC(=O)NCCN(C)C(=O)CC(N)=O ZINC001355664509 886344428 /nfs/dbraw/zinc/34/44/28/886344428.db2.gz DQJQPAXRDDBXFV-UHFFFAOYSA-N 0 3 272.349 -1.223 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CNCCN1C)c1nnnn1C ZINC001355863203 886347128 /nfs/dbraw/zinc/34/71/28/886347128.db2.gz HNOFJKAHMDBFGQ-SFYZADRCSA-N 0 3 253.310 -1.709 20 0 CAADHN CNC(=O)CC(=O)N(C)CCNC(=O)Cc1nc[nH]c1C ZINC001355791816 886347351 /nfs/dbraw/zinc/34/73/51/886347351.db2.gz TWPMHUACZNLFMV-UHFFFAOYSA-N 0 3 295.343 -1.029 20 0 CAADHN CC(C)[C@@H](C(=O)NCCN(C)C(=O)C(N)=O)N(C)C ZINC001355786396 886347898 /nfs/dbraw/zinc/34/78/98/886347898.db2.gz PTHBFKHGPYPYNE-VIFPVBQESA-N 0 3 272.349 -1.368 20 0 CAADHN COC(=O)[C@H]1CN(C[C@@H](O)CO)C[C@H]1C(=O)OC ZINC001356060891 886354132 /nfs/dbraw/zinc/35/41/32/886354132.db2.gz ACNYYEZZKZZNCO-HLTSFMKQSA-N 0 3 261.274 -1.766 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@H](O)C[C@]1(O)CCOC1 ZINC001356103839 886354274 /nfs/dbraw/zinc/35/42/74/886354274.db2.gz WKURYWRNXTYEQS-GHMZBOCLSA-N 0 3 296.389 -1.630 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@@H](O)C[C@]1(O)CCOC1 ZINC001356103849 886354788 /nfs/dbraw/zinc/35/47/88/886354788.db2.gz WKURYWRNXTYEQS-WDEREUQCSA-N 0 3 296.389 -1.630 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)C2(O)CCOCC2)C1=O ZINC001356103779 886356406 /nfs/dbraw/zinc/35/64/06/886356406.db2.gz VYBXCVBHEXYBSW-NXEZZACHSA-N 0 3 258.318 -1.291 20 0 CAADHN CON(C)C(=O)[C@H](C)NC[C@@H](O)C[C@@]1(O)CCOC1 ZINC001356101479 886356722 /nfs/dbraw/zinc/35/67/22/886356722.db2.gz HGMMVDYKLBNWON-NHCYSSNCSA-N 0 3 276.333 -1.113 20 0 CAADHN CCN(CCNC(=O)C(N)=O)C(=O)CN1CCC[C@@H]1C ZINC001356188216 886360382 /nfs/dbraw/zinc/36/03/82/886360382.db2.gz WNRXKMZYQQBBRO-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCNCCNCC2)CCO1 ZINC001356439645 886367594 /nfs/dbraw/zinc/36/75/94/886367594.db2.gz KJRWSEZLPPYKKD-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN CON(C)C(=O)CCNCCNS(=O)(=O)N(C)C ZINC001356629825 886371302 /nfs/dbraw/zinc/37/13/02/886371302.db2.gz SMAFVQPSEFQUFI-UHFFFAOYSA-N 0 3 282.366 -1.618 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)CC(N)=O)C1 ZINC001356804981 886384138 /nfs/dbraw/zinc/38/41/38/886384138.db2.gz MXXZAUGCTDWBNZ-SNVBAGLBSA-N 0 3 282.344 -1.469 20 0 CAADHN CC[C@H](C(=O)N1CCC[C@@H]1CNC(=O)C(N)=O)N(C)C ZINC001356995897 886393014 /nfs/dbraw/zinc/39/30/14/886393014.db2.gz CNCIJRMICXSBNR-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](CNC(=O)CN1CCC[C@@H]1C)CNC(=O)C(N)=O ZINC001357034630 886393705 /nfs/dbraw/zinc/39/37/05/886393705.db2.gz QUVYMHJWVZWZCQ-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCCCN1CCOC1=O ZINC001357244023 886396360 /nfs/dbraw/zinc/39/63/60/886396360.db2.gz SOQADSUEAYXEQQ-SNVBAGLBSA-N 0 3 270.333 -1.152 20 0 CAADHN CC(C)[C@@H](C(=O)NC[C@@H](O)CNC(=O)C(N)=O)N(C)C ZINC001357445305 886408241 /nfs/dbraw/zinc/40/82/41/886408241.db2.gz WIIFELRSJIBXPY-BDAKNGLRSA-N 0 3 288.348 -2.349 20 0 CAADHN CC(C)[C@@H](C(=O)NC[C@H](O)CNC(=O)C(N)=O)N(C)C ZINC001357445311 886409977 /nfs/dbraw/zinc/40/99/77/886409977.db2.gz WIIFELRSJIBXPY-IUCAKERBSA-N 0 3 288.348 -2.349 20 0 CAADHN CC(C)[C@H](C(=O)NC[C@H](O)CNC(=O)C(N)=O)N(C)C ZINC001357461320 886410213 /nfs/dbraw/zinc/41/02/13/886410213.db2.gz WIIFELRSJIBXPY-DTWKUNHWSA-N 0 3 288.348 -2.349 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)CC(N)=O ZINC001357684389 886412300 /nfs/dbraw/zinc/41/23/00/886412300.db2.gz CTMZZBYPQFMSSA-MXQLGCADSA-N 0 3 282.344 -1.255 20 0 CAADHN CN1CCC[C@@H](C(=O)NC[C@@H]2CNCCO2)C1=O ZINC001357619653 886412450 /nfs/dbraw/zinc/41/24/50/886412450.db2.gz OPQAIAODDWYMAQ-UWVGGRQHSA-N 0 3 255.318 -1.041 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC/C=C/CNC(=O)CC(N)=O)C1 ZINC001357685382 886412858 /nfs/dbraw/zinc/41/28/58/886412858.db2.gz KZWIOSOMZBTUAX-KXMPLOMGSA-N 0 3 296.371 -1.008 20 0 CAADHN O=C(N[C@@H]1COC2(CNC2)C1)C1CS(=O)(=O)C1 ZINC001357742217 886414689 /nfs/dbraw/zinc/41/46/89/886414689.db2.gz ZMZCJVODGLPWKK-QMMMGPOBSA-N 0 3 260.315 -1.722 20 0 CAADHN CN1C[C@H](C(=O)N[C@H]2COC3(CNC3)C2)NC1=O ZINC001357845280 886415206 /nfs/dbraw/zinc/41/52/06/886415206.db2.gz BJDGVQABXWDYLH-HTQZYQBOSA-N 0 3 254.290 -1.743 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N1CCOC2(CNC2)C1 ZINC001357911598 886415290 /nfs/dbraw/zinc/41/52/90/886415290.db2.gz WQRHKEUZJVAIIJ-QMMMGPOBSA-N 0 3 267.285 -1.760 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H]2COC3(CNC3)C2)NC1=O ZINC001357845282 886415545 /nfs/dbraw/zinc/41/55/45/886415545.db2.gz BJDGVQABXWDYLH-SFYZADRCSA-N 0 3 254.290 -1.743 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2COC3(CNC3)C2)NC1=O ZINC001357845281 886415974 /nfs/dbraw/zinc/41/59/74/886415974.db2.gz BJDGVQABXWDYLH-JGVFFNPUSA-N 0 3 254.290 -1.743 20 0 CAADHN CCN1CCCN(C(=O)Cn2nnc(N)n2)CC1 ZINC001357896834 886416194 /nfs/dbraw/zinc/41/61/94/886416194.db2.gz HTNVTCRJXOXJKE-UHFFFAOYSA-N 0 3 253.310 -1.191 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C(=O)[C@@H]1CNCCN1C ZINC001358034632 886417796 /nfs/dbraw/zinc/41/77/96/886417796.db2.gz FKIXZTYTFIFORI-IUCAKERBSA-N 0 3 258.322 -2.151 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C(=O)[C@H]1CNCCN1C ZINC001358034631 886417972 /nfs/dbraw/zinc/41/79/72/886417972.db2.gz FKIXZTYTFIFORI-BDAKNGLRSA-N 0 3 258.322 -2.151 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)CN2)CCN1C ZINC001358187559 886420190 /nfs/dbraw/zinc/42/01/90/886420190.db2.gz WTKAIHTZMRXJRQ-KXUCPTDWSA-N 0 3 254.334 -1.375 20 0 CAADHN C[C@@H]1[C@H](NC(=O)[C@H]2CN(C)C(=O)CN2)CCN1C ZINC001358187562 886420623 /nfs/dbraw/zinc/42/06/23/886420623.db2.gz WTKAIHTZMRXJRQ-OPRDCNLKSA-N 0 3 254.334 -1.375 20 0 CAADHN COCCNCC(=O)N1CCN[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001358277410 886424230 /nfs/dbraw/zinc/42/42/30/886424230.db2.gz SOKBAEKYNXXRAA-ZJUUUORDSA-N 0 3 291.373 -2.180 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)CC(N)=O ZINC001358595435 886433585 /nfs/dbraw/zinc/43/35/85/886433585.db2.gz NTODKCMTKXZYJR-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CC(C)[C@H](C(=O)NCC1(NC(=O)C(N)=O)CC1)N(C)C ZINC001358680789 886439744 /nfs/dbraw/zinc/43/97/44/886439744.db2.gz GPSDALHESMEVGI-SECBINFHSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)N1CCCN(C(=O)[C@@H](CO)NC(N)=O)CC1 ZINC001361898335 886500062 /nfs/dbraw/zinc/50/00/62/886500062.db2.gz LOSQUBPVUYWFEE-SNVBAGLBSA-N 0 3 272.349 -1.042 20 0 CAADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cn1nnc(N)n1 ZINC001361942003 886510295 /nfs/dbraw/zinc/51/02/95/886510295.db2.gz RHXTZAGFVZYVAI-JTQLQIEISA-N 0 3 297.363 -1.176 20 0 CAADHN CN(C)CCn1nccc1C(=O)N(CC(N)=O)CC(N)=O ZINC001362034666 886520702 /nfs/dbraw/zinc/52/07/02/886520702.db2.gz BUQMTBUMEUGUFA-UHFFFAOYSA-N 0 3 296.331 -2.143 20 0 CAADHN CN(CCCN1CCN(C)CC1)C(=O)Cn1nnc(N)n1 ZINC001362105210 886537728 /nfs/dbraw/zinc/53/77/28/886537728.db2.gz YDTLXVWUZHVBOP-UHFFFAOYSA-N 0 3 296.379 -1.649 20 0 CAADHN CCN1CCN(CCNC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001362133058 886543612 /nfs/dbraw/zinc/54/36/12/886543612.db2.gz GQLMHEABRBVANY-JTQLQIEISA-N 0 3 287.364 -2.231 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)[C@H](CO)NC(N)=O ZINC001362235853 886563504 /nfs/dbraw/zinc/56/35/04/886563504.db2.gz RWSASFCJMOSFKV-QNSHHTMESA-N 0 3 270.333 -1.386 20 0 CAADHN COCCn1cc(C(=O)NC[C@@]2(O)CCN(C)C2)nn1 ZINC001362319700 886588833 /nfs/dbraw/zinc/58/88/33/886588833.db2.gz NUXRLHPPTFSRQB-LBPRGKRZSA-N 0 3 283.332 -1.279 20 0 CAADHN COC1CCN(CCNC(=O)[C@H](CO)NC(N)=O)CC1 ZINC001362344803 886590797 /nfs/dbraw/zinc/59/07/97/886590797.db2.gz IEWDGYIROLOWAF-JTQLQIEISA-N 0 3 288.348 -1.757 20 0 CAADHN O=C(CO)NCCC(=O)N[C@@H](CO)CN1CCCCC1 ZINC001362432508 886613950 /nfs/dbraw/zinc/61/39/50/886613950.db2.gz PALLGSAIGVWVDV-LLVKDONJSA-N 0 3 287.360 -1.552 20 0 CAADHN CN1CCN(CCNC(=O)Cn2nnc(N)n2)CC1(C)C ZINC001362435328 886614304 /nfs/dbraw/zinc/61/43/04/886614304.db2.gz JBIPUTSPSIEUMP-UHFFFAOYSA-N 0 3 296.379 -1.603 20 0 CAADHN Nc1ncn(CC(=O)N[C@H]2CCCN(CCCO)C2)n1 ZINC001362451813 886618015 /nfs/dbraw/zinc/61/80/15/886618015.db2.gz CGJDWSDKNALQLK-JTQLQIEISA-N 0 3 282.348 -1.177 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001362457738 886620056 /nfs/dbraw/zinc/62/00/56/886620056.db2.gz WCYNWFUEMNEPSD-LBPRGKRZSA-N 0 3 279.300 -1.628 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001362457737 886620999 /nfs/dbraw/zinc/62/09/99/886620999.db2.gz WCYNWFUEMNEPSD-GFCCVEGCSA-N 0 3 279.300 -1.628 20 0 CAADHN Nc1nnn(CC(=O)NC[C@@H]2CCCCN2CCO)n1 ZINC001362475477 886624481 /nfs/dbraw/zinc/62/44/81/886624481.db2.gz LJNYAAMZYXLRKQ-VIFPVBQESA-N 0 3 283.336 -1.782 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001362511762 886632971 /nfs/dbraw/zinc/63/29/71/886632971.db2.gz WZXWRBYCNYSFBN-IUCAKERBSA-N 0 3 284.316 -1.843 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)Cn1ncn2nccc2c1=O ZINC001362525043 886636218 /nfs/dbraw/zinc/63/62/18/886636218.db2.gz VONSYNTUHSZCLE-SECBINFHSA-N 0 3 294.315 -2.070 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)[C@H](CO)NC(N)=O)CN1C1CC1 ZINC001362550801 886643062 /nfs/dbraw/zinc/64/30/62/886643062.db2.gz ZZYXNVINRYNYIR-WEDXCCLWSA-N 0 3 270.333 -1.243 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001362595913 886656195 /nfs/dbraw/zinc/65/61/95/886656195.db2.gz UYGZTRZYIOEQEG-BBBLOLIVSA-N 0 3 282.344 -1.314 20 0 CAADHN NS(=O)(=O)CCCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001362626822 886662543 /nfs/dbraw/zinc/66/25/43/886662543.db2.gz JQWVELWLXIAAAJ-VHSXEESVSA-N 0 3 291.373 -1.668 20 0 CAADHN O=C(CO)NCCC(=O)N[C@H](CO)CN1CCCC1 ZINC001362662600 886671220 /nfs/dbraw/zinc/67/12/20/886671220.db2.gz ARIQCHWGRUNNKU-JTQLQIEISA-N 0 3 273.333 -1.942 20 0 CAADHN CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001362794514 886710062 /nfs/dbraw/zinc/71/00/62/886710062.db2.gz HYYDTAKQZXDDDS-LOWVWBTDSA-N 0 3 282.344 -1.116 20 0 CAADHN CN(C)C[C@@]1(O)CCN(C(=O)CC2C(=O)N=CNC2=O)C1 ZINC001362803118 886712210 /nfs/dbraw/zinc/71/22/10/886712210.db2.gz IKXXHDSSFZJUMJ-ZDUSSCGKSA-N 0 3 296.327 -1.045 20 0 CAADHN CN(C)C[C@]1(O)CCN(C(=O)CC2C(=O)N=CNC2=O)C1 ZINC001362803117 886713637 /nfs/dbraw/zinc/71/36/37/886713637.db2.gz IKXXHDSSFZJUMJ-CYBMUJFWSA-N 0 3 296.327 -1.045 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)O1 ZINC001362848898 886728055 /nfs/dbraw/zinc/72/80/55/886728055.db2.gz RAJSZABUSNWMRC-WHOHXGKFSA-N 0 3 297.355 -1.313 20 0 CAADHN Cc1cn2nnc(C(=O)N[C@H](CO)CN(C)C)c2c(=O)[nH]1 ZINC001362858349 886732174 /nfs/dbraw/zinc/73/21/74/886732174.db2.gz YYOZRBLTIANXOI-QMMMGPOBSA-N 0 3 294.315 -1.209 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001362870410 886734948 /nfs/dbraw/zinc/73/49/48/886734948.db2.gz FHKJAENBPMXKML-OPRDCNLKSA-N 0 3 286.332 -2.317 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001362870402 886735765 /nfs/dbraw/zinc/73/57/65/886735765.db2.gz FHKJAENBPMXKML-LPEHRKFASA-N 0 3 286.332 -2.317 20 0 CAADHN CCN1CCN(CCC(=O)N2CC(CO)(CO)C2)CC1 ZINC001362877257 886735524 /nfs/dbraw/zinc/73/55/24/886735524.db2.gz YQENVDDYQBDJSL-UHFFFAOYSA-N 0 3 285.388 -1.173 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cn1cnc(N)n1 ZINC001362929883 886746294 /nfs/dbraw/zinc/74/62/94/886746294.db2.gz ABNUKOHKCYCIRW-UHFFFAOYSA-N 0 3 297.363 -1.661 20 0 CAADHN C[C@H]1CN(C(=O)[C@H](CO)NC(N)=O)CCN(C2CC2)C1 ZINC001362943707 886750834 /nfs/dbraw/zinc/75/08/34/886750834.db2.gz MDOJDGWSNHRVIH-KOLCDFICSA-N 0 3 284.360 -1.042 20 0 CAADHN CC[C@H](O)Cn1cc(C(=O)NCCN(C)CCO)nn1 ZINC001362954785 886752774 /nfs/dbraw/zinc/75/27/74/886752774.db2.gz LLRNHKRQPWVCPP-JTQLQIEISA-N 0 3 285.348 -1.297 20 0 CAADHN Cn1cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)n(C)c1=O ZINC001362992160 886759664 /nfs/dbraw/zinc/75/96/64/886759664.db2.gz POIWUODPYZJSTA-SECBINFHSA-N 0 3 280.328 -1.073 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001362993659 886759916 /nfs/dbraw/zinc/75/99/16/886759916.db2.gz UEHUCBBQIHBGAG-JTQLQIEISA-N 0 3 298.343 -2.172 20 0 CAADHN Cn1cnc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1=O ZINC001362992960 886760213 /nfs/dbraw/zinc/76/02/13/886760213.db2.gz SFNXURAFLFTXPW-SECBINFHSA-N 0 3 278.312 -1.017 20 0 CAADHN Cn1cnc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1=O ZINC001362992963 886761045 /nfs/dbraw/zinc/76/10/45/886761045.db2.gz SFNXURAFLFTXPW-VIFPVBQESA-N 0 3 278.312 -1.017 20 0 CAADHN CNC(=O)NCCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001362994771 886763818 /nfs/dbraw/zinc/76/38/18/886763818.db2.gz ZJGKMSQLRVPVID-SECBINFHSA-N 0 3 270.333 -1.105 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)NC[C@H]1CCCCN1CCO ZINC001363032886 886774240 /nfs/dbraw/zinc/77/42/40/886774240.db2.gz PCYCTBMVQLRGEM-ZJUUUORDSA-N 0 3 288.348 -2.021 20 0 CAADHN CN(CCO)CCN(C)C(=O)c1cn([C@@H]2CC[C@H]2O)nn1 ZINC001363049596 886779308 /nfs/dbraw/zinc/77/93/08/886779308.db2.gz JRGAZZWSIMBUJF-VXGBXAGGSA-N 0 3 297.359 -1.030 20 0 CAADHN O=C(NC[C@@]1(CO)COC[C@@H]2CCCN21)c1ncn[nH]1 ZINC001363078415 886786234 /nfs/dbraw/zinc/78/62/34/886786234.db2.gz MZZMYTPWSRJZNL-JOYOIKCWSA-N 0 3 281.316 -1.240 20 0 CAADHN O=C(NC[C@@]1(CO)COC[C@@H]2CCCN21)c1nc[nH]n1 ZINC001363078415 886786242 /nfs/dbraw/zinc/78/62/42/886786242.db2.gz MZZMYTPWSRJZNL-JOYOIKCWSA-N 0 3 281.316 -1.240 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H](O)[C@@H](CO)C1 ZINC001363119214 886797147 /nfs/dbraw/zinc/79/71/47/886797147.db2.gz XMFVAUVDJKCMGX-AGIUHOORSA-N 0 3 283.372 -1.422 20 0 CAADHN NC(=O)C[C@@H]1COCCN1C(=O)[C@H]1CN2CCN1CCC2 ZINC001363119570 886797492 /nfs/dbraw/zinc/79/74/92/886797492.db2.gz ZROCCMPHGFNJEZ-VXGBXAGGSA-N 0 3 296.371 -1.521 20 0 CAADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H](CO)CN(C)C ZINC001363154947 886809223 /nfs/dbraw/zinc/80/92/23/886809223.db2.gz HKBMLDRNPVNBAS-MRVPVSSYSA-N 0 3 284.316 -1.223 20 0 CAADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@H](CO)CN(C)C ZINC001363154950 886809307 /nfs/dbraw/zinc/80/93/07/886809307.db2.gz HKBMLDRNPVNBAS-QMMMGPOBSA-N 0 3 284.316 -1.223 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@@H]1CCCN1C ZINC001363176111 886816947 /nfs/dbraw/zinc/81/69/47/886816947.db2.gz VMYBVPJQJNXHIY-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CN(C)CCN1CCN(C(=O)Cn2nnc(N)n2)CC1=O ZINC001363202814 886827082 /nfs/dbraw/zinc/82/70/82/886827082.db2.gz NXTRTDXHVGNKPX-UHFFFAOYSA-N 0 3 296.335 -2.512 20 0 CAADHN CN(C)CCN1CCN(C(=O)Cn2nccc2N)CC1=O ZINC001363202836 886828501 /nfs/dbraw/zinc/82/85/01/886828501.db2.gz PJRCQTLNBOIIKX-UHFFFAOYSA-N 0 3 294.359 -1.302 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)C[C@H](O)C(C)(C)O ZINC001363197459 886829104 /nfs/dbraw/zinc/82/91/04/886829104.db2.gz PTMYATRTAWTCEX-RYUDHWBXSA-N 0 3 276.377 -1.257 20 0 CAADHN C[C@H](CO)N(C[C@H](C)O)CC1(O)CCS(=O)(=O)CC1 ZINC001363232970 886834308 /nfs/dbraw/zinc/83/43/08/886834308.db2.gz WGCBVBUWIGBYNV-MNOVXSKESA-N 0 3 295.401 -1.010 20 0 CAADHN CNC(=O)NC(=O)CCN[C@H]1CCO[C@H]1C(=O)OC ZINC001363266165 886845837 /nfs/dbraw/zinc/84/58/37/886845837.db2.gz ZHQDAGGASAZILN-IONNQARKSA-N 0 3 273.289 -1.248 20 0 CAADHN NC(=O)C1(NC[C@@H](O)C2(O)CCOCC2)CCOCC1 ZINC001363265219 886846577 /nfs/dbraw/zinc/84/65/77/886846577.db2.gz SEWUKXRLRHDQDA-SNVBAGLBSA-N 0 3 288.344 -1.487 20 0 CAADHN CNS(=O)(=O)CCN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001363302511 886861026 /nfs/dbraw/zinc/86/10/26/886861026.db2.gz FIQQHAQMIWMKEE-RNFRBKRXSA-N 0 3 278.334 -2.946 20 0 CAADHN CC[C@H](C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)N(C)C ZINC001363311726 886867651 /nfs/dbraw/zinc/86/76/51/886867651.db2.gz GLYBWFQFLCVZHP-XHNCKOQMSA-N 0 3 270.333 -1.628 20 0 CAADHN CNC(=O)CN1CCCN(C[C@H](O)Cn2cccn2)CC1 ZINC001363320992 886869018 /nfs/dbraw/zinc/86/90/18/886869018.db2.gz NPJDMGIYLXDACY-ZDUSSCGKSA-N 0 3 295.387 -1.002 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)C1 ZINC001363492195 886915999 /nfs/dbraw/zinc/91/59/99/886915999.db2.gz SPXUFXVEGUPOIO-UTLUCORTSA-N 0 3 282.344 -1.627 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)C1 ZINC001363492189 886916172 /nfs/dbraw/zinc/91/61/72/886916172.db2.gz SPXUFXVEGUPOIO-OPRDCNLKSA-N 0 3 282.344 -1.627 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1 ZINC001363492180 886916274 /nfs/dbraw/zinc/91/62/74/886916274.db2.gz SPXUFXVEGUPOIO-BBBLOLIVSA-N 0 3 282.344 -1.627 20 0 CAADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCN1CC[C@@H](O)C1 ZINC001363509542 886920536 /nfs/dbraw/zinc/92/05/36/886920536.db2.gz YRISNPBNSWGQSP-SECBINFHSA-N 0 3 296.327 -1.078 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC(O)(C(N)=O)C2)CC1=O ZINC001363503061 886922071 /nfs/dbraw/zinc/92/20/71/886922071.db2.gz WTUARANDXJECQE-VIFPVBQESA-N 0 3 298.343 -2.545 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC(C)(C)CNS(N)(=O)=O ZINC001363537123 886931371 /nfs/dbraw/zinc/93/13/71/886931371.db2.gz AWBYNWWMCSQSHN-UHFFFAOYSA-N 0 3 289.361 -1.051 20 0 CAADHN CN1CCO[C@H](C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)C1 ZINC001363534877 886932067 /nfs/dbraw/zinc/93/20/67/886932067.db2.gz FKKIMWPHLSRWNQ-XQQFMLRXSA-N 0 3 283.372 -1.016 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](CCC(=O)NCCN2CC[C@H](O)C2)O1 ZINC001363572509 886938282 /nfs/dbraw/zinc/93/82/82/886938282.db2.gz HOKVDTVEGWVLGX-TUAOUCFPSA-N 0 3 299.371 -1.018 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001363582225 886940475 /nfs/dbraw/zinc/94/04/75/886940475.db2.gz PMAWHODGUVBOGQ-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN O=S1(=O)CC[C@@](O)(CNC2CCS(=O)(=O)CC2)C1 ZINC001363598923 886948436 /nfs/dbraw/zinc/94/84/36/886948436.db2.gz GXQVWOWEZUESNB-SNVBAGLBSA-N 0 3 297.398 -1.297 20 0 CAADHN CCOC(=O)C[C@H](O)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001363625116 886950169 /nfs/dbraw/zinc/95/01/69/886950169.db2.gz BVOBGBPBSUJNMO-KOLCDFICSA-N 0 3 286.328 -1.110 20 0 CAADHN CCOC(=O)C[C@@H](O)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001363625109 886950493 /nfs/dbraw/zinc/95/04/93/886950493.db2.gz BVOBGBPBSUJNMO-GXSJLCMTSA-N 0 3 286.328 -1.110 20 0 CAADHN CCOC(=O)C[C@H](O)C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001363625126 886950623 /nfs/dbraw/zinc/95/06/23/886950623.db2.gz BVOBGBPBSUJNMO-ONGXEEELSA-N 0 3 286.328 -1.110 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CN(C)CC1(C)C ZINC001363648292 886953755 /nfs/dbraw/zinc/95/37/55/886953755.db2.gz XQWOBHIVKBOGRY-QMMMGPOBSA-N 0 3 278.378 -1.503 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CN(C)CC1(C)C ZINC001363648284 886954026 /nfs/dbraw/zinc/95/40/26/886954026.db2.gz XQWOBHIVKBOGRY-MRVPVSSYSA-N 0 3 278.378 -1.503 20 0 CAADHN COC(=O)CNC(=O)CN[C@@H]1CCCS(=O)(=O)CC1 ZINC001363680895 886959343 /nfs/dbraw/zinc/95/93/43/886959343.db2.gz GZNWWBRGQWBGFZ-SECBINFHSA-N 0 3 292.357 -1.168 20 0 CAADHN CC(C)C(=O)N[C@@H](CO)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001363673498 886959802 /nfs/dbraw/zinc/95/98/02/886959802.db2.gz GTGTULLQGVIEIB-PWSUYJOCSA-N 0 3 299.371 -1.291 20 0 CAADHN C[NH+](C)C[C@]1(O)CCN(C(=O)c2[nH]c(=O)[n-]c(=O)c2N)C1 ZINC001363682799 886959880 /nfs/dbraw/zinc/95/98/80/886959880.db2.gz YEIAFFKLDDIZEJ-GFCCVEGCSA-N 0 3 297.315 -1.391 20 0 CAADHN CN1CCN(CC(=O)N2CC(N[C@H]3CCOC3)C2)CC1=O ZINC001363672753 886960332 /nfs/dbraw/zinc/96/03/32/886960332.db2.gz FVRDPUQTDOAZAB-NSHDSACASA-N 0 3 296.371 -1.650 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@]12CCN(C1)CCC2 ZINC001363693190 886961873 /nfs/dbraw/zinc/96/18/73/886961873.db2.gz VLRPDXDLCHQHMA-ZDUSSCGKSA-N 0 3 282.344 -1.407 20 0 CAADHN NS(=O)(=O)CCCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001363699593 886962469 /nfs/dbraw/zinc/96/24/69/886962469.db2.gz UGDZBHNUFDBBLE-SECBINFHSA-N 0 3 291.373 -1.356 20 0 CAADHN NS(=O)(=O)CCCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001363699595 886963112 /nfs/dbraw/zinc/96/31/12/886963112.db2.gz UGDZBHNUFDBBLE-VIFPVBQESA-N 0 3 291.373 -1.356 20 0 CAADHN NS(=O)(=O)C1(C(=O)N2CC(N[C@H]3CCOC3)C2)CC1 ZINC001363704927 886964090 /nfs/dbraw/zinc/96/40/90/886964090.db2.gz OVMJQRZFUPMYLQ-QMMMGPOBSA-N 0 3 289.357 -1.603 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001363696314 886964201 /nfs/dbraw/zinc/96/42/01/886964201.db2.gz JCOZSDOJYAVMHX-RKDXNWHRSA-N 0 3 291.373 -1.487 20 0 CAADHN O=C(NCc1cc(=O)[nH]c(=O)[nH]1)[C@@H]1CN2CCN1CCC2 ZINC001363717073 886965103 /nfs/dbraw/zinc/96/51/03/886965103.db2.gz BMYZUHXYODXDBH-JTQLQIEISA-N 0 3 293.327 -1.106 20 0 CAADHN O=C(NCc1cc(=O)[nH]c(=O)[nH]1)[C@H]1CN2CCN1CCC2 ZINC001363717084 886967037 /nfs/dbraw/zinc/96/70/37/886967037.db2.gz BMYZUHXYODXDBH-SNVBAGLBSA-N 0 3 293.327 -1.106 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@@H](CO)[C@H](CO)C1 ZINC001363732933 886970979 /nfs/dbraw/zinc/97/09/79/886970979.db2.gz SBLZXUVLZSLZMH-AVGNSLFASA-N 0 3 283.372 -1.565 20 0 CAADHN NS(=O)(=O)NC[C@H]1CCCN(C[C@@H]2COCCO2)C1 ZINC001363777736 886977039 /nfs/dbraw/zinc/97/70/39/886977039.db2.gz LGFWITPWEIYRMC-GHMZBOCLSA-N 0 3 293.389 -1.093 20 0 CAADHN CN(C)CCCS(=O)(=O)N(CC(N)=O)CC(N)=O ZINC001363765900 886977893 /nfs/dbraw/zinc/97/78/93/886977893.db2.gz SANLECYWBXUPNI-UHFFFAOYSA-N 0 3 280.350 -2.460 20 0 CAADHN CC(C)(O)[C@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC001363783619 886978940 /nfs/dbraw/zinc/97/89/40/886978940.db2.gz YDZSEZVDOACXCM-VHSXEESVSA-N 0 3 295.405 -1.377 20 0 CAADHN COC(=O)Cn1cc(CCN2C[C@H](O)[C@@H](CO)C2)nn1 ZINC001363787682 886981194 /nfs/dbraw/zinc/98/11/94/886981194.db2.gz JNTQMTWLNQPNSR-KOLCDFICSA-N 0 3 284.316 -1.721 20 0 CAADHN CC(C)(O)[C@H](O)CN1CCC[C@H](CNS(N)(=O)=O)C1 ZINC001363783515 886981539 /nfs/dbraw/zinc/98/15/39/886981539.db2.gz YDZSEZVDOACXCM-NXEZZACHSA-N 0 3 295.405 -1.377 20 0 CAADHN COC(=O)CNC(=O)CCNC1(C(N)=O)CCOCC1 ZINC001363800679 886983405 /nfs/dbraw/zinc/98/34/05/886983405.db2.gz DYVPBDQNJUEPQU-UHFFFAOYSA-N 0 3 287.316 -1.710 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)O1 ZINC001363814627 886986306 /nfs/dbraw/zinc/98/63/06/886986306.db2.gz KFRBWCDVXATFOQ-WHOHXGKFSA-N 0 3 297.355 -1.313 20 0 CAADHN CNC(=O)NC(=O)CCN(CC(N)=O)C1CCOCC1 ZINC001363814550 886986515 /nfs/dbraw/zinc/98/65/15/886986515.db2.gz DSLYZRSVAYINSY-UHFFFAOYSA-N 0 3 286.332 -1.202 20 0 CAADHN NC(=O)[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1C(N)=O ZINC001363812727 886988793 /nfs/dbraw/zinc/98/87/93/886988793.db2.gz SGYKRMJVYLBOMQ-IWSPIJDZSA-N 0 3 289.357 -2.060 20 0 CAADHN NS(=O)(=O)CCCN1CC[C@@H](CS(N)(=O)=O)C1 ZINC001363841869 886994235 /nfs/dbraw/zinc/99/42/35/886994235.db2.gz PIKGWLHLNKOSOR-MRVPVSSYSA-N 0 3 285.391 -1.725 20 0 CAADHN C[C@@H]1CN(CCN2CCNC2=O)C[C@H]1CS(N)(=O)=O ZINC001363841804 886994911 /nfs/dbraw/zinc/99/49/11/886994911.db2.gz PBAKJRRSYJPWFL-ZJUUUORDSA-N 0 3 290.389 -1.132 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCCCN1C)C(N)=O ZINC001363850103 886995926 /nfs/dbraw/zinc/99/59/26/886995926.db2.gz PPWUYULPVGLTFO-QWRGUYRKSA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(N1CC[C@H]2[C@@H]1CCCN2CCO)C1(O)COC1 ZINC001363885024 886999318 /nfs/dbraw/zinc/99/93/18/886999318.db2.gz LHCNVRNBYGIRPS-QWRGUYRKSA-N 0 3 270.329 -1.195 20 0 CAADHN COC[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)c1nn[n-]n1 ZINC001364025625 887021663 /nfs/dbraw/zinc/02/16/63/887021663.db2.gz IDDMBBXNEVEVAI-JTQLQIEISA-N 0 3 297.363 -1.503 20 0 CAADHN COC[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)c1nn[n-]n1 ZINC001364025625 887021671 /nfs/dbraw/zinc/02/16/71/887021671.db2.gz IDDMBBXNEVEVAI-JTQLQIEISA-N 0 3 297.363 -1.503 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)NC[C@H]1CCCN1C ZINC001364046939 887025647 /nfs/dbraw/zinc/02/56/47/887025647.db2.gz VMYBVPJQJNXHIY-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN NC(=O)C1(O)CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC001364086308 887029055 /nfs/dbraw/zinc/02/90/55/887029055.db2.gz XHZYYOUDWUCKOC-NSHDSACASA-N 0 3 296.371 -1.785 20 0 CAADHN O=C(N[C@H](CO)[C@H]1CCOC1)[C@@H]1CN2CCN1CCC2 ZINC001364061654 887030179 /nfs/dbraw/zinc/03/01/79/887030179.db2.gz RYGPOSDDHCJMRH-XQQFMLRXSA-N 0 3 283.372 -1.110 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)NCc1nc(CO)n[nH]1 ZINC001364104281 887032455 /nfs/dbraw/zinc/03/24/55/887032455.db2.gz VGZWZNFJFPZXKN-VIFPVBQESA-N 0 3 283.332 -1.119 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)CC1=O ZINC001364147120 887039323 /nfs/dbraw/zinc/03/93/23/887039323.db2.gz AXEJHTPSAPQMMR-KKOKHZNYSA-N 0 3 299.371 -1.603 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@@H](O)[C@@H](O)C2)CC1=O ZINC001364147121 887039346 /nfs/dbraw/zinc/03/93/46/887039346.db2.gz AXEJHTPSAPQMMR-WISYIIOYSA-N 0 3 299.371 -1.603 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2C2CC2)C[C@H]1C(N)=O ZINC001364193307 887043166 /nfs/dbraw/zinc/04/31/66/887043166.db2.gz KGSILBXPLFAEGS-GMTAPVOTSA-N 0 3 294.355 -1.342 20 0 CAADHN CCN1C[C@H](NC(=O)NC[C@@]2(O)CCN(C)C2)CC1=O ZINC001364274440 887055364 /nfs/dbraw/zinc/05/53/64/887055364.db2.gz PVDYMCVWFPUVDS-MFKMUULPSA-N 0 3 284.360 -1.027 20 0 CAADHN CCN1C[C@@H](NC(=O)NC[C@@]2(O)CCN(C)C2)CC1=O ZINC001364274421 887056467 /nfs/dbraw/zinc/05/64/67/887056467.db2.gz PVDYMCVWFPUVDS-GWCFXTLKSA-N 0 3 284.360 -1.027 20 0 CAADHN CN(C)CCn1nccc1NC(=O)NCC(=O)NCCO ZINC001364377740 887074015 /nfs/dbraw/zinc/07/40/15/887074015.db2.gz XKQGAVLLECKNEC-UHFFFAOYSA-N 0 3 298.347 -1.325 20 0 CAADHN CNC(=O)N[C@@H]1CCN(C[C@@H](O)C2(O)CCOCC2)C1 ZINC001364384842 887074212 /nfs/dbraw/zinc/07/42/12/887074212.db2.gz ISBVLMYFBFFYFT-GHMZBOCLSA-N 0 3 287.360 -1.108 20 0 CAADHN CNC(=O)NC(=O)CCN1CCN(CCO)C[C@@H]1C ZINC001364418688 887079850 /nfs/dbraw/zinc/07/98/50/887079850.db2.gz WDOUMTUZDDAHEJ-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN Nc1nnn(CC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)n1 ZINC001364416419 887081004 /nfs/dbraw/zinc/08/10/04/887081004.db2.gz PIKAPGWFKJGDLO-VHSXEESVSA-N 0 3 295.347 -1.687 20 0 CAADHN COC(=O)Cn1cc(CCN2CC[C@H](O)[C@@H](CO)C2)nn1 ZINC001364437527 887083421 /nfs/dbraw/zinc/08/34/21/887083421.db2.gz GPVGSNYNQLRTFX-PWSUYJOCSA-N 0 3 298.343 -1.331 20 0 CAADHN O=C1CO[C@@H]2CCN(C[C@H](O)Cn3cccn3)C[C@H]2N1 ZINC001364422254 887085266 /nfs/dbraw/zinc/08/52/66/887085266.db2.gz XAXIXSZYARNZDC-QJPTWQEYSA-N 0 3 280.328 -1.167 20 0 CAADHN NC(=O)[C@@H]1CN([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C(N)=O ZINC001364452159 887086685 /nfs/dbraw/zinc/08/66/85/887086685.db2.gz OFSXPIQEHVYQLR-GMTAPVOTSA-N 0 3 294.355 -1.342 20 0 CAADHN COC(=O)CNC(=O)CCN1CCN(CCO)C[C@H]1C ZINC001364446070 887087858 /nfs/dbraw/zinc/08/78/58/887087858.db2.gz PCMQMFDTVUNXBG-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN NC(=O)[C@H]1CN([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C(N)=O ZINC001364452153 887088366 /nfs/dbraw/zinc/08/83/66/887088366.db2.gz OFSXPIQEHVYQLR-AXFHLTTASA-N 0 3 294.355 -1.342 20 0 CAADHN NC(=O)[C@@H]1CN(C[C@@H]2CN(C3CC3)C(=O)O2)C[C@H]1C(N)=O ZINC001364469786 887090270 /nfs/dbraw/zinc/09/02/70/887090270.db2.gz OGANETIOKPAOHY-OPRDCNLKSA-N 0 3 296.327 -1.512 20 0 CAADHN NC(=O)[C@H]1CN(C[C@@H]2CN(C3CC3)C(=O)O2)C[C@H]1C(N)=O ZINC001364469780 887091061 /nfs/dbraw/zinc/09/10/61/887091061.db2.gz OGANETIOKPAOHY-BBBLOLIVSA-N 0 3 296.327 -1.512 20 0 CAADHN NC(=O)[C@H]1CN(Cc2cnn(CCF)c2)C[C@H]1C(N)=O ZINC001364469555 887091203 /nfs/dbraw/zinc/09/12/03/887091203.db2.gz MKVPWUJCEFKGCX-AOOOYVTPSA-N 0 3 283.307 -1.129 20 0 CAADHN NC(=O)C1(NCCC2OCCO2)CCS(=O)(=O)CC1 ZINC001364488588 887093996 /nfs/dbraw/zinc/09/39/96/887093996.db2.gz IDUVQYZNOVRHAZ-UHFFFAOYSA-N 0 3 292.357 -1.228 20 0 CAADHN CS(=O)(=O)N1CC(CN2C[C@H](CO)[C@H](CO)C2)C1 ZINC001364488116 887093767 /nfs/dbraw/zinc/09/37/67/887093767.db2.gz BHJWHGNKZQFRNX-PHIMTYICSA-N 0 3 278.374 -1.590 20 0 CAADHN O[C@H](CN1CC[C@@H](O)[C@@H](O)C1)CC1(O)CCOCC1 ZINC001364483966 887094845 /nfs/dbraw/zinc/09/48/45/887094845.db2.gz BXODTRGMSLVNBB-TUAOUCFPSA-N 0 3 275.345 -1.294 20 0 CAADHN O[C@H](COC1CCOCC1)CN1CC[C@@H](O)[C@@H](O)C1 ZINC001364485172 887095168 /nfs/dbraw/zinc/09/51/68/887095168.db2.gz NBTUCOHPZZDWJE-UHTWSYAYSA-N 0 3 275.345 -1.030 20 0 CAADHN C[C@H](O)[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1 ZINC001364512803 887101725 /nfs/dbraw/zinc/10/17/25/887101725.db2.gz PIFXQKCTBRUYEX-AVGNSLFASA-N 0 3 283.372 -1.016 20 0 CAADHN C[C@@](Cn1cccn1)(NC[C@H](O)Cn1cccn1)C(N)=O ZINC001364520749 887102802 /nfs/dbraw/zinc/10/28/02/887102802.db2.gz FAQLETRDALGRHY-AAEUAGOBSA-N 0 3 292.343 -1.026 20 0 CAADHN CCN1C[C@H](CNCc2cn(CC(N)=O)nn2)CC1=O ZINC001364618519 887114154 /nfs/dbraw/zinc/11/41/54/887114154.db2.gz ZDWPPAXTGHYEMM-VIFPVBQESA-N 0 3 280.332 -1.279 20 0 CAADHN CCN(CCO)CCNC(=O)NCC1N=NC(=O)N1C ZINC001364726450 887125819 /nfs/dbraw/zinc/12/58/19/887125819.db2.gz MRQSEKCJPOJLEB-UHFFFAOYSA-N 0 3 286.336 -1.366 20 0 CAADHN CN(C)C(=O)OCCN1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001364753985 887129526 /nfs/dbraw/zinc/12/95/26/887129526.db2.gz DVRPIEWYDNQTTD-HTQZYQBOSA-N 0 3 272.305 -1.797 20 0 CAADHN CS(=O)(=O)N1CC(CN2C[C@@H](CO)[C@H](CO)C2)C1 ZINC001364775502 887133546 /nfs/dbraw/zinc/13/35/46/887133546.db2.gz BHJWHGNKZQFRNX-QWRGUYRKSA-N 0 3 278.374 -1.590 20 0 CAADHN O=C1NCC[C@H]1CCN1CCN2CCOC[C@@]2(CO)C1 ZINC001364821790 887138366 /nfs/dbraw/zinc/13/83/66/887138366.db2.gz WKNOWWHWHXBMOX-JSGCOSHPSA-N 0 3 283.372 -1.109 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001364820766 887138793 /nfs/dbraw/zinc/13/87/93/887138793.db2.gz DJKSZXGMGDEOAP-MRVPVSSYSA-N 0 3 292.361 -1.512 20 0 CAADHN O=C1NCC[C@H]1CCN1CCN2CCOC[C@]2(CO)C1 ZINC001364821787 887138907 /nfs/dbraw/zinc/13/89/07/887138907.db2.gz WKNOWWHWHXBMOX-GXTWGEPZSA-N 0 3 283.372 -1.109 20 0 CAADHN CCOC(=O)[C@@](C)(O)CN1CC[C@H](CS(N)(=O)=O)C1 ZINC001364816044 887140037 /nfs/dbraw/zinc/14/00/37/887140037.db2.gz VVKMXCFCMWNDJB-ONGXEEELSA-N 0 3 294.373 -1.089 20 0 CAADHN O=S1(=O)CCCN1CCN1C[C@H](CCO)[C@H](CO)C1 ZINC001364843339 887145403 /nfs/dbraw/zinc/14/54/03/887145403.db2.gz KMXOWUIUVROGAU-RYUDHWBXSA-N 0 3 292.401 -1.055 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCC(O)(C(N)=O)CC1 ZINC001364859559 887146325 /nfs/dbraw/zinc/14/63/25/887146325.db2.gz QVGCGVHZIYXACY-UHFFFAOYSA-N 0 3 293.389 -1.420 20 0 CAADHN O=C(CN1CCCNC1=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001364996000 887160743 /nfs/dbraw/zinc/16/07/43/887160743.db2.gz BICBVWIHHSLLLQ-SNVBAGLBSA-N 0 3 282.344 -1.009 20 0 CAADHN O=C(C1CS(=O)(=O)C1)N1CC(N[C@@H]2CCOC2)C1 ZINC001364996009 887160931 /nfs/dbraw/zinc/16/09/31/887160931.db2.gz BKURRWQDFFFSMU-SECBINFHSA-N 0 3 274.342 -1.380 20 0 CAADHN Cn1cnn(CC(=O)N2CC(N[C@@H]3CCOC3)C2)c1=O ZINC001364996223 887161457 /nfs/dbraw/zinc/16/14/57/887161457.db2.gz DEPISXZFBVZHLG-SECBINFHSA-N 0 3 281.316 -1.829 20 0 CAADHN COC(=O)CNC(=O)CN[C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC001364987420 887161639 /nfs/dbraw/zinc/16/16/39/887161639.db2.gz FVDCOCPZAJUWHU-RKDXNWHRSA-N 0 3 292.357 -1.312 20 0 CAADHN Cc1nn(CC(=O)N2CC(N[C@H]3CCOC3)C2)c(=O)o1 ZINC001364999128 887164957 /nfs/dbraw/zinc/16/49/57/887164957.db2.gz VSUATSZSEDNIDB-VIFPVBQESA-N 0 3 282.300 -1.266 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N[C@@H]1COC[C@@H]1O ZINC001365104169 887169335 /nfs/dbraw/zinc/16/93/35/887169335.db2.gz PZVIXCOLTHHPSX-YFKTTZPYSA-N 0 3 285.344 -1.092 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1COC[C@@H]1O ZINC001365104168 887169646 /nfs/dbraw/zinc/16/96/46/887169646.db2.gz PZVIXCOLTHHPSX-QCNOEVLYSA-N 0 3 285.344 -1.092 20 0 CAADHN Cn1nnc(CNC(=O)NC[C@H]2CCCCN2CCO)n1 ZINC001365155533 887175548 /nfs/dbraw/zinc/17/55/48/887175548.db2.gz RRHIMRKLRMMXKH-SNVBAGLBSA-N 0 3 297.363 -1.144 20 0 CAADHN CN(C)CCn1nccc1NC(=O)NC(CO)CO ZINC001365205628 887181143 /nfs/dbraw/zinc/18/11/43/887181143.db2.gz JKEMUZQPKDUPPZ-UHFFFAOYSA-N 0 3 271.321 -1.081 20 0 CAADHN CNC(=O)[C@@H](O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC001365196713 887181426 /nfs/dbraw/zinc/18/14/26/887181426.db2.gz YKUARPBAESFHDW-ZJUUUORDSA-N 0 3 270.333 -2.401 20 0 CAADHN CNC(=O)[C@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC001365197892 887181556 /nfs/dbraw/zinc/18/15/56/887181556.db2.gz QNFRLPCBXFJTKI-RYUDHWBXSA-N 0 3 280.372 -1.029 20 0 CAADHN CNC(=O)[C@H](O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC001365196710 887182017 /nfs/dbraw/zinc/18/20/17/887182017.db2.gz YKUARPBAESFHDW-NXEZZACHSA-N 0 3 270.333 -2.401 20 0 CAADHN CNC(=O)[C@@H](O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC001365196711 887182695 /nfs/dbraw/zinc/18/26/95/887182695.db2.gz YKUARPBAESFHDW-UWVGGRQHSA-N 0 3 270.333 -2.401 20 0 CAADHN CS(=O)(=O)NC[C@@H]1CCN(CCC(=O)NC(N)=O)C1 ZINC001365331614 887194845 /nfs/dbraw/zinc/19/48/45/887194845.db2.gz BLPSKQNVJCLOOQ-QMMMGPOBSA-N 0 3 292.361 -1.558 20 0 CAADHN Cn1nnnc1CCN1CCC2(CC1)C[C@H](O)CNC2=O ZINC001365343396 887196801 /nfs/dbraw/zinc/19/68/01/887196801.db2.gz USEMWYLUZYDQEP-JTQLQIEISA-N 0 3 294.359 -1.284 20 0 CAADHN COCCN(C)CCNC(=O)N(C)CCS(N)(=O)=O ZINC001365554517 887221233 /nfs/dbraw/zinc/22/12/33/887221233.db2.gz FIHBKJISCHEHBH-UHFFFAOYSA-N 0 3 296.393 -1.506 20 0 CAADHN CNC(=O)C[C@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC001365590240 887226113 /nfs/dbraw/zinc/22/61/13/887226113.db2.gz RUHZFDLAOWZWHF-JOYOIKCWSA-N 0 3 272.349 -1.123 20 0 CAADHN CNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2nnc[n-]2)C1 ZINC001365806282 887246554 /nfs/dbraw/zinc/24/65/54/887246554.db2.gz FTSBXJKOGZUVHH-AOOOYVTPSA-N 0 3 294.359 -1.032 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)Cn2ncnn2)[C@H]1C ZINC001365891165 887248354 /nfs/dbraw/zinc/24/83/54/887248354.db2.gz LAJFFYSSWWPGGM-VWYCJHECSA-N 0 3 298.347 -1.741 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001365892734 887249365 /nfs/dbraw/zinc/24/93/65/887249365.db2.gz WMYPYXPEUQZXOE-ZJUUUORDSA-N 0 3 272.349 -1.123 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001365850484 887250567 /nfs/dbraw/zinc/25/05/67/887250567.db2.gz XZKRWZZTBITNHT-GUBZILKMSA-N 0 3 292.343 -1.280 20 0 CAADHN CCN1CCN(CCNC(=O)CCn2cnnn2)CC1 ZINC001365965978 887257230 /nfs/dbraw/zinc/25/72/30/887257230.db2.gz YFWFERYXLYMNKR-UHFFFAOYSA-N 0 3 281.364 -1.183 20 0 CAADHN O=C(Cc1nc[nH]n1)NCCN1CCN(CCCO)CC1 ZINC001365964414 887257473 /nfs/dbraw/zinc/25/74/73/887257473.db2.gz GURORIFNPMJTFW-UHFFFAOYSA-N 0 3 296.375 -1.537 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001365934738 887258244 /nfs/dbraw/zinc/25/82/44/887258244.db2.gz GOMVPYFNTDPUDG-VXGBXAGGSA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001365949978 887258442 /nfs/dbraw/zinc/25/84/42/887258442.db2.gz JMTDMNRNFGGFLL-QWRGUYRKSA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001365976097 887262308 /nfs/dbraw/zinc/26/23/08/887262308.db2.gz FZMAZVGAZMEKLQ-SRVKXCTJSA-N 0 3 299.371 -1.195 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001366032930 887263082 /nfs/dbraw/zinc/26/30/82/887263082.db2.gz LWZNERRDXKHPSO-GHMZBOCLSA-N 0 3 296.371 -1.115 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)CN(C)C(C)=O)C1 ZINC001365989940 887263858 /nfs/dbraw/zinc/26/38/58/887263858.db2.gz ZGDCKOAZIMQGTL-NWDGAFQWSA-N 0 3 287.360 -1.338 20 0 CAADHN COCC(=O)NC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1CC1 ZINC001366023722 887264095 /nfs/dbraw/zinc/26/40/95/887264095.db2.gz ULZGIOHVGYRXDW-CBAPKCEASA-N 0 3 286.332 -1.299 20 0 CAADHN COCC(=O)NC[C@H](N[C@H](C)C(=O)NC(N)=O)C1CC1 ZINC001366023720 887264175 /nfs/dbraw/zinc/26/41/75/887264175.db2.gz ULZGIOHVGYRXDW-APPZFPTMSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCN(CCCO)C1 ZINC001365986725 887264209 /nfs/dbraw/zinc/26/42/09/887264209.db2.gz DQSVNCUEHPTEIU-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCNC(=O)COC)C1 ZINC001365995790 887264704 /nfs/dbraw/zinc/26/47/04/887264704.db2.gz YMFAWTNUGXVLNL-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)n2cncn2)C1 ZINC001366086973 887265875 /nfs/dbraw/zinc/26/58/75/887265875.db2.gz FLYRFLGKFNHGAF-ZJUUUORDSA-N 0 3 280.332 -1.224 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CN1CCCNC1=O)C1CC1 ZINC001366039819 887265972 /nfs/dbraw/zinc/26/59/72/887265972.db2.gz FNRXJIAMTYHNBK-JTQLQIEISA-N 0 3 297.359 -1.629 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001366057777 887266242 /nfs/dbraw/zinc/26/62/42/887266242.db2.gz OWFQDPOZSUDSMD-LLVKDONJSA-N 0 3 294.359 -1.101 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001366089340 887266496 /nfs/dbraw/zinc/26/64/96/887266496.db2.gz YBQNYQNNAOCUNO-QMMMGPOBSA-N 0 3 280.332 -1.448 20 0 CAADHN Cn1[n-]c(CN[C@H]2CCN(C(=O)CC[NH+](C)C)C2)nc1=O ZINC001366100595 887266708 /nfs/dbraw/zinc/26/67/08/887266708.db2.gz YGVNZGBRNLBZRY-JTQLQIEISA-N 0 3 296.375 -1.249 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C1CC1 ZINC001366049165 887266753 /nfs/dbraw/zinc/26/67/53/887266753.db2.gz XOZYGZJBJHEQBB-MNOVXSKESA-N 0 3 296.371 -1.305 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001366087601 887266903 /nfs/dbraw/zinc/26/69/03/887266903.db2.gz JRGUGOZONGKBHH-VIFPVBQESA-N 0 3 294.359 -1.105 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001366057780 887267042 /nfs/dbraw/zinc/26/70/42/887267042.db2.gz OWFQDPOZSUDSMD-NSHDSACASA-N 0 3 294.359 -1.101 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CN1CCCNC1=O)C1CC1 ZINC001366039822 887267151 /nfs/dbraw/zinc/26/71/51/887267151.db2.gz FNRXJIAMTYHNBK-SNVBAGLBSA-N 0 3 297.359 -1.629 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)C1CC1 ZINC001366056997 887267247 /nfs/dbraw/zinc/26/72/47/887267247.db2.gz HAAYXGWONCOPKT-VIFPVBQESA-N 0 3 295.343 -1.030 20 0 CAADHN C[C@@H](CC(=O)N1CC[C@H](NCC(=O)N(C)C)C1)NC(N)=O ZINC001366094815 887267480 /nfs/dbraw/zinc/26/74/80/887267480.db2.gz NXLFVOGLHMIVDS-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001366086153 887267678 /nfs/dbraw/zinc/26/76/78/887267678.db2.gz BCZPJGIQKRCKAE-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CN1CCOCC1=O)C1CC1 ZINC001366042089 887267906 /nfs/dbraw/zinc/26/79/06/887267906.db2.gz YOBNJGXHKDRQFA-JTQLQIEISA-N 0 3 298.343 -2.185 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)c1nccnc1N)C1CC1 ZINC001366034276 887267940 /nfs/dbraw/zinc/26/79/40/887267940.db2.gz YOAXFGZAEOFZJY-QMMMGPOBSA-N 0 3 278.316 -1.358 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](NCC(N)=O)C2CC2)cc1=O ZINC001366043815 887268024 /nfs/dbraw/zinc/26/80/24/887268024.db2.gz OETGIKCIUUDRNO-NSHDSACASA-N 0 3 292.339 -1.031 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1)C(N)=O ZINC001366086582 887268116 /nfs/dbraw/zinc/26/81/16/887268116.db2.gz COUGUXOGHJSMSF-SCZZXKLOSA-N 0 3 282.344 -1.423 20 0 CAADHN NC(=O)C[NH2+][C@@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001366034106 887268619 /nfs/dbraw/zinc/26/86/19/887268619.db2.gz PCYBLTMDCFCORP-VIFPVBQESA-N 0 3 279.300 -1.235 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001366038852 887268822 /nfs/dbraw/zinc/26/88/22/887268822.db2.gz YVWITCBJPRAAFR-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](N[C@H](CNC(=O)Cn1cncn1)C1CC1)C(N)=O ZINC001366063450 887268926 /nfs/dbraw/zinc/26/89/26/887268926.db2.gz XVTODWPOQZQJNX-WCBMZHEXSA-N 0 3 280.332 -1.364 20 0 CAADHN O=C(CNC(=O)C1CC1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001366087705 887268950 /nfs/dbraw/zinc/26/89/50/887268950.db2.gz MSFILRGEHBTPDE-QWRGUYRKSA-N 0 3 294.355 -1.408 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](NCC(N)=O)C2CC2)cc1=O ZINC001366043813 887269013 /nfs/dbraw/zinc/26/90/13/887269013.db2.gz OETGIKCIUUDRNO-LLVKDONJSA-N 0 3 292.339 -1.031 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001366087438 887269109 /nfs/dbraw/zinc/26/91/09/887269109.db2.gz KQYRMOQEUSWQAD-QMMMGPOBSA-N 0 3 280.288 -1.591 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2csnn2)C1 ZINC001366095556 887269420 /nfs/dbraw/zinc/26/94/20/887269420.db2.gz RNOIGRMLXWZMGU-LURJTMIESA-N 0 3 298.328 -1.463 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001366088828 887269884 /nfs/dbraw/zinc/26/98/84/887269884.db2.gz URHFLMHTYBNMMJ-ZJUUUORDSA-N 0 3 283.328 -1.124 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001366116964 887272949 /nfs/dbraw/zinc/27/29/49/887272949.db2.gz JLKDSPWQUVLHHY-CIUDSAMLSA-N 0 3 291.373 -1.598 20 0 CAADHN C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1C[C@@H](NCC(N)=O)C1 ZINC001366169712 887273949 /nfs/dbraw/zinc/27/39/49/887273949.db2.gz DRVUGIUNOWJMQV-HLTSFMKQSA-N 0 3 291.373 -1.611 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)NCC(=O)N1CCCC1 ZINC001366247684 887273993 /nfs/dbraw/zinc/27/39/93/887273993.db2.gz DEPXJVOISVVIKM-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001366161503 887274876 /nfs/dbraw/zinc/27/48/76/887274876.db2.gz JLKDSPWQUVLHHY-HLTSFMKQSA-N 0 3 291.373 -1.598 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](NCC(=O)NC)C1 ZINC001366166254 887274928 /nfs/dbraw/zinc/27/49/28/887274928.db2.gz HBTWQYLYVFNHCT-DTORHVGOSA-N 0 3 291.373 -1.596 20 0 CAADHN CC(=O)N[C@H]1C[C@@H](NCC(=O)NCC(=O)N2CCCC2)C1 ZINC001366142883 887275904 /nfs/dbraw/zinc/27/59/04/887275904.db2.gz HYCFAWJEIQBYPG-TXEJJXNPSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)NCc1cnn(C)c1 ZINC001366246673 887276011 /nfs/dbraw/zinc/27/60/11/887276011.db2.gz ASPADBGUNKCGOA-SECBINFHSA-N 0 3 278.320 -1.299 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C1 ZINC001366161507 887276416 /nfs/dbraw/zinc/27/64/16/887276416.db2.gz JLKDSPWQUVLHHY-XHNCKOQMSA-N 0 3 291.373 -1.598 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)N[C@H]1CCNC1=O ZINC001366244896 887277285 /nfs/dbraw/zinc/27/72/85/887277285.db2.gz AWDSGKNUCVQAGS-SFYZADRCSA-N 0 3 279.300 -1.221 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cocn1 ZINC001366255564 887278534 /nfs/dbraw/zinc/27/85/34/887278534.db2.gz HFHVNIJBMFRFJM-ZETCQYMHSA-N 0 3 283.288 -1.162 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCO1)NCC(=O)NC(N)=O ZINC001366255901 887279134 /nfs/dbraw/zinc/27/91/34/887279134.db2.gz WAEJFTNCMMFETE-YUMQZZPRSA-N 0 3 272.305 -1.545 20 0 CAADHN C[C@@H](CNC(=O)c1cccn1C)NCC(=O)NC(N)=O ZINC001366258369 887280099 /nfs/dbraw/zinc/28/00/99/887280099.db2.gz NTNZSPUUHILCFT-QMMMGPOBSA-N 0 3 281.316 -1.072 20 0 CAADHN C[C@@H](CNC(=O)c1cncnc1)N[C@@H](C)C(=O)NC(N)=O ZINC001366262636 887280693 /nfs/dbraw/zinc/28/06/93/887280693.db2.gz PRIKGTPITJFOBQ-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cnn(C)c1N ZINC001366258096 887280878 /nfs/dbraw/zinc/28/08/78/887280878.db2.gz FFTCYAVPICNYAO-SFYZADRCSA-N 0 3 282.348 -1.155 20 0 CAADHN C[C@@H](CNC(=O)c1cnccn1)NCC(=O)NC(N)=O ZINC001366252018 887281259 /nfs/dbraw/zinc/28/12/59/887281259.db2.gz YLJUJRPDDAGKPT-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)C[C@H](C)OC ZINC001366264236 887281291 /nfs/dbraw/zinc/28/12/91/887281291.db2.gz SQCIBDHZHDGRRI-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)C[C@H](C)OC ZINC001366264241 887281699 /nfs/dbraw/zinc/28/16/99/887281699.db2.gz SQCIBDHZHDGRRI-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](CNC(=O)C[C@H]1CCCO1)NCC(=O)NC(N)=O ZINC001366253930 887281848 /nfs/dbraw/zinc/28/18/48/887281848.db2.gz GQXKQJQAZPDXCH-DTWKUNHWSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cncnc1)C(=O)NC(N)=O ZINC001366262618 887282224 /nfs/dbraw/zinc/28/22/24/887282224.db2.gz PRIKGTPITJFOBQ-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCn1cncn1 ZINC001366254196 887282526 /nfs/dbraw/zinc/28/25/26/887282526.db2.gz CZZFTIQPLODQFT-UWVGGRQHSA-N 0 3 282.348 -1.103 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1n[nH]cc1C ZINC001366277649 887283439 /nfs/dbraw/zinc/28/34/39/887283439.db2.gz RRQGUDLLAVNRNP-MRVPVSSYSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@H](CNC(=O)c1cc2n(n1)CCO2)N[C@H]1CCNC1=O ZINC001366285464 887284052 /nfs/dbraw/zinc/28/40/52/887284052.db2.gz XLNZEYWZBHJEHZ-BDAKNGLRSA-N 0 3 293.327 -1.128 20 0 CAADHN COc1cc(OC)nc(C(=O)NC[C@@H](C)NCC(N)=O)n1 ZINC001366292805 887284114 /nfs/dbraw/zinc/28/41/14/887284114.db2.gz IQNRCXIBYMYNEP-SSDOTTSWSA-N 0 3 297.315 -1.313 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CN1CCOCC1=O)C(N)=O ZINC001366284002 887284234 /nfs/dbraw/zinc/28/42/34/887284234.db2.gz TYBMTJTYHZPLTO-DTWKUNHWSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)N[C@H]1CCN(C)C1=O ZINC001366270968 887284281 /nfs/dbraw/zinc/28/42/81/887284281.db2.gz CXDRXITWDHXKNS-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)N[C@@H]1CCNC1=O ZINC001366277525 887284591 /nfs/dbraw/zinc/28/45/91/887284591.db2.gz RAIZNKDUSHMUIK-GXSJLCMTSA-N 0 3 279.344 -1.055 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cc(OC)ncn1 ZINC001366272521 887284680 /nfs/dbraw/zinc/28/46/80/887284680.db2.gz FUDPOCRUBAOXQP-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1=O)N[C@@H](C)C(N)=O ZINC001366284006 887284882 /nfs/dbraw/zinc/28/48/82/887284882.db2.gz TYBMTJTYHZPLTO-IUCAKERBSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@H](CC(=O)NC[C@H](C)NCC(=O)NC1CC1)NC(N)=O ZINC001366275724 887285484 /nfs/dbraw/zinc/28/54/84/887285484.db2.gz IHMDQUUMZOOEAJ-BDAKNGLRSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@H](CNC(=O)Cc1ccn(C)n1)N[C@@H]1CCNC1=O ZINC001366277538 887286029 /nfs/dbraw/zinc/28/60/29/887286029.db2.gz RAIZNKDUSHMUIK-MWLCHTKSSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@H](CNC(=O)CN1CCCCC1=O)N[C@H]1CCNC1=O ZINC001366294272 887286116 /nfs/dbraw/zinc/28/61/16/887286116.db2.gz FWFVQNPBSJBAJH-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCS(=O)(=O)NC ZINC001366280132 887286947 /nfs/dbraw/zinc/28/69/47/887286947.db2.gz XBPJISQHXGPRAN-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001366286260 887286184 /nfs/dbraw/zinc/28/61/84/887286184.db2.gz IBDYLOFNPCVEJQ-IUCAKERBSA-N 0 3 295.343 -1.377 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC1CC1 ZINC001366289786 887286979 /nfs/dbraw/zinc/28/69/79/887286979.db2.gz WJYQKJZOYNZIIN-IUCAKERBSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)NCC(N)=O ZINC001366286837 887286559 /nfs/dbraw/zinc/28/65/59/887286559.db2.gz PXWBCAHRTHSUOP-QMMMGPOBSA-N 0 3 297.315 -2.873 20 0 CAADHN C[C@@H](CNC(=O)c1ccnc2n[nH]nc21)NCC(N)=O ZINC001366291143 887286614 /nfs/dbraw/zinc/28/66/14/887286614.db2.gz AMUFDWFNBZCEFM-LURJTMIESA-N 0 3 277.288 -1.454 20 0 CAADHN C[C@H](CNC(=O)c1ncc[nH]1)NCC(=O)N1CCOCC1 ZINC001366278606 887287038 /nfs/dbraw/zinc/28/70/38/887287038.db2.gz WMYCGXXBDONXTO-SNVBAGLBSA-N 0 3 295.343 -1.024 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CNC(=O)NC)C(N)=O ZINC001366291239 887287123 /nfs/dbraw/zinc/28/71/23/887287123.db2.gz YYLHABPOWRHWGK-JGVFFNPUSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(=O)N(C)C ZINC001366284196 887287177 /nfs/dbraw/zinc/28/71/77/887287177.db2.gz RLRPXKPVSDMVJU-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)c1nccnc1N ZINC001366272086 887287386 /nfs/dbraw/zinc/28/73/86/887287386.db2.gz RXXOIJJDTGDTNZ-QMMMGPOBSA-N 0 3 280.332 -1.097 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)N[C@H]1CCN(C)C1=O ZINC001366337987 887288056 /nfs/dbraw/zinc/28/80/56/887288056.db2.gz AGYSPIFHCOODAR-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N[C@@H](C)C(N)=O ZINC001366304843 887288425 /nfs/dbraw/zinc/28/84/25/887288425.db2.gz QTRHUWURCSHNFF-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC ZINC001366314209 887288940 /nfs/dbraw/zinc/28/89/40/887288940.db2.gz WWZLLGMJHCXORF-WDEREUQCSA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)NCC1CC1 ZINC001366330491 887289202 /nfs/dbraw/zinc/28/92/02/887289202.db2.gz UJBKJCAHJISGFX-IEBDPFPHSA-N 0 3 296.371 -1.272 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N[C@H]1CCN(C)C1=O ZINC001366337978 887289440 /nfs/dbraw/zinc/28/94/40/887289440.db2.gz AGYSPIFHCOODAR-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001366309335 887289512 /nfs/dbraw/zinc/28/95/12/887289512.db2.gz UNEHFFDUYHVLBP-ZJUUUORDSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N[C@@H]1CCN(C)C1=O ZINC001366337994 887289941 /nfs/dbraw/zinc/28/99/41/887289941.db2.gz AGYSPIFHCOODAR-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCn1cnnn1)C(=O)N(C)C ZINC001366336789 887290033 /nfs/dbraw/zinc/29/00/33/887290033.db2.gz FEFXAWMJUVFWGL-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001366304602 887290752 /nfs/dbraw/zinc/29/07/52/887290752.db2.gz FYVDZKSSMXXBNH-MRBYEJRBSA-N 0 3 299.371 -1.122 20 0 CAADHN C[C@@H](CNC(=O)[C@]1(F)CCOC1)NCC(=O)NC(N)=O ZINC001366319788 887291021 /nfs/dbraw/zinc/29/10/21/887291021.db2.gz FYEHJXZBGRKCOX-CPCISQLKSA-N 0 3 290.295 -1.596 20 0 CAADHN C[C@H](CNC(=O)CCn1cnnn1)N[C@H](C)C(=O)N(C)C ZINC001366336770 887291087 /nfs/dbraw/zinc/29/10/87/887291087.db2.gz FEFXAWMJUVFWGL-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1C ZINC001366320907 887291121 /nfs/dbraw/zinc/29/11/21/887291121.db2.gz YYJQUKPJOPJMDS-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN1CCC(=O)NC1=O ZINC001366353797 887291229 /nfs/dbraw/zinc/29/12/29/887291229.db2.gz JTSYWQCDVJQGAH-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001366304598 887291341 /nfs/dbraw/zinc/29/13/41/887291341.db2.gz FYVDZKSSMXXBNH-MPPDQPJWSA-N 0 3 299.371 -1.122 20 0 CAADHN C[C@H](CNC(=O)CCn1cnnn1)N[C@@H](C)C(=O)N(C)C ZINC001366336798 887291410 /nfs/dbraw/zinc/29/14/10/887291410.db2.gz FEFXAWMJUVFWGL-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(=O)NC(N)=O ZINC001366315781 887291582 /nfs/dbraw/zinc/29/15/82/887291582.db2.gz BDWWHHACQGVHKF-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CN1CCN(C)C(=O)C1)C(N)=O ZINC001366310076 887291738 /nfs/dbraw/zinc/29/17/38/887291738.db2.gz PHYDZXXZVYTQIC-VHSXEESVSA-N 0 3 299.375 -2.272 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N[C@H](C)C(N)=O ZINC001366304846 887292069 /nfs/dbraw/zinc/29/20/69/887292069.db2.gz QTRHUWURCSHNFF-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001366313803 887292100 /nfs/dbraw/zinc/29/21/00/887292100.db2.gz WWFNSMUDYXZRFU-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNC(=O)[C@@H](C)CC(N)=O)NCC(=O)NC1CC1 ZINC001366310808 887292293 /nfs/dbraw/zinc/29/22/93/887292293.db2.gz MANSGCXVRSRHQE-IUCAKERBSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(=O)NC1CC1 ZINC001366314256 887292551 /nfs/dbraw/zinc/29/25/51/887292551.db2.gz CVUWJEVTVJFJSX-KOLCDFICSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H](CNC(=O)[C@]1(F)CCOC1)NCC(=O)NC(N)=O ZINC001366319802 887292631 /nfs/dbraw/zinc/29/26/31/887292631.db2.gz FYEHJXZBGRKCOX-HQJQHLMTSA-N 0 3 290.295 -1.596 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001366383893 887293197 /nfs/dbraw/zinc/29/31/97/887293197.db2.gz LGRRAZMUTVYYHM-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CCNC(N)=O ZINC001366366655 887293289 /nfs/dbraw/zinc/29/32/89/887293289.db2.gz DLPCVGWKEGWSTR-QMMMGPOBSA-N 0 3 273.337 -1.725 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001366382710 887293326 /nfs/dbraw/zinc/29/33/26/887293326.db2.gz UOYJCTLECMIMPW-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001366384566 887293732 /nfs/dbraw/zinc/29/37/32/887293732.db2.gz ATNHAZAVPJKZLI-QMMMGPOBSA-N 0 3 292.299 -1.524 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001366375286 887294226 /nfs/dbraw/zinc/29/42/26/887294226.db2.gz MJEMAYVBABSGCG-IUCAKERBSA-N 0 3 284.316 -1.449 20 0 CAADHN C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)NCC(N)=O ZINC001366363510 887294681 /nfs/dbraw/zinc/29/46/81/887294681.db2.gz MPZVGCJGHZCICN-MRVPVSSYSA-N 0 3 278.312 -1.021 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001366375483 887294789 /nfs/dbraw/zinc/29/47/89/887294789.db2.gz MSKRHRXVOBZCSH-CBAPKCEASA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2cnnn2)C1)C(=O)N(C)C ZINC001366369715 887294836 /nfs/dbraw/zinc/29/48/36/887294836.db2.gz LWWHXEIETDAFMV-UWVGGRQHSA-N 0 3 295.347 -1.660 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)NCC(N)=O ZINC001366363511 887295162 /nfs/dbraw/zinc/29/51/62/887295162.db2.gz MPZVGCJGHZCICN-QMMMGPOBSA-N 0 3 278.312 -1.021 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N[C@H]1CCNC1=O ZINC001366372251 887295380 /nfs/dbraw/zinc/29/53/80/887295380.db2.gz NPUVWKLCDDXILQ-SFYZADRCSA-N 0 3 271.321 -1.972 20 0 CAADHN CCCS(=O)(=O)CC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001366363912 887295497 /nfs/dbraw/zinc/29/54/97/887295497.db2.gz ISQWVIGSWZMVHL-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001366383245 887295569 /nfs/dbraw/zinc/29/55/69/887295569.db2.gz WRQDZEQEKYLQSF-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CCCC[C@H](NC(N)=O)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001366391905 887295855 /nfs/dbraw/zinc/29/58/55/887295855.db2.gz UHUJNMDHEGIEKN-UWVGGRQHSA-N 0 3 299.375 -1.111 20 0 CAADHN COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001366380474 887296323 /nfs/dbraw/zinc/29/63/23/887296323.db2.gz GJEIYLZLUUUZIC-VHSXEESVSA-N 0 3 296.327 -1.006 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001366381254 887296746 /nfs/dbraw/zinc/29/67/46/887296746.db2.gz NRKPIRNCAJUPNC-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001366377827 887296907 /nfs/dbraw/zinc/29/69/07/887296907.db2.gz PZPIVIFXSZZBMF-VIFPVBQESA-N 0 3 294.315 -1.662 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[n-]1 ZINC001366360338 887297792 /nfs/dbraw/zinc/29/77/92/887297792.db2.gz UKDKQXOWLJCBLA-UWVGGRQHSA-N 0 3 296.375 -1.346 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[n-]1 ZINC001366360338 887297805 /nfs/dbraw/zinc/29/78/05/887297805.db2.gz UKDKQXOWLJCBLA-UWVGGRQHSA-N 0 3 296.375 -1.346 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CS(=O)(=O)CC)C(N)=O ZINC001366364285 887297841 /nfs/dbraw/zinc/29/78/41/887297841.db2.gz IDMSEUNPVGQBLX-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)CNC(=O)OC ZINC001366520474 887306559 /nfs/dbraw/zinc/30/65/59/887306559.db2.gz SLCSEQZTIVQHGM-SECBINFHSA-N 0 3 277.321 -1.602 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)CCN[C@H](C)C(=O)NC ZINC001366771857 887334459 /nfs/dbraw/zinc/33/44/59/887334459.db2.gz AGZKXDZTLASZBF-SECBINFHSA-N 0 3 293.389 -1.396 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)CNC(=O)OC ZINC001366520475 887306500 /nfs/dbraw/zinc/30/65/00/887306500.db2.gz SLCSEQZTIVQHGM-VIFPVBQESA-N 0 3 277.321 -1.602 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@H](C)NC(N)=O ZINC001366525567 887307564 /nfs/dbraw/zinc/30/75/64/887307564.db2.gz HULIUAWFNXFDAN-IUCAKERBSA-N 0 3 276.337 -1.902 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1cc2n(n1)CCO2 ZINC001366536227 887307832 /nfs/dbraw/zinc/30/78/32/887307832.db2.gz UJUOEKSKWLKORX-SNVBAGLBSA-N 0 3 298.343 -1.056 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001366537188 887308322 /nfs/dbraw/zinc/30/83/22/887308322.db2.gz ZHJYJXJMJANAON-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1nccnc1N ZINC001366525420 887311755 /nfs/dbraw/zinc/31/17/55/887311755.db2.gz PTNOIKLAYQDWEF-SECBINFHSA-N 0 3 283.332 -1.272 20 0 CAADHN CN(CCCO)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001366527291 887312885 /nfs/dbraw/zinc/31/28/85/887312885.db2.gz LPAAJCDSKFQKRD-UHFFFAOYSA-N 0 3 284.320 -2.193 20 0 CAADHN CCC[C@H](C(=O)NCCN(C)CCO)S(N)(=O)=O ZINC001366556774 887313493 /nfs/dbraw/zinc/31/34/93/887313493.db2.gz ZFRZVDJGOHHIJZ-SECBINFHSA-N 0 3 281.378 -1.516 20 0 CAADHN CN(CCNC(=O)CCc1cnn[nH]1)[C@@H]1CCNC1=O ZINC001366568628 887314127 /nfs/dbraw/zinc/31/41/27/887314127.db2.gz UMZCSNHMZBDBJO-SNVBAGLBSA-N 0 3 280.332 -1.326 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001366566558 887314489 /nfs/dbraw/zinc/31/44/89/887314489.db2.gz TZJAFWJZDDFMJE-BDAKNGLRSA-N 0 3 274.321 -2.277 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)C[C@H]1CCC(=O)N1 ZINC001366571509 887314877 /nfs/dbraw/zinc/31/48/77/887314877.db2.gz AUKMCOSVSKANMJ-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001366571512 887317656 /nfs/dbraw/zinc/31/76/56/887317656.db2.gz AUKMCOSVSKANMJ-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CCC[C@@H](C(=O)NCCN(C)CCO)S(N)(=O)=O ZINC001366556777 887317829 /nfs/dbraw/zinc/31/78/29/887317829.db2.gz ZFRZVDJGOHHIJZ-VIFPVBQESA-N 0 3 281.378 -1.516 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001366571511 887318444 /nfs/dbraw/zinc/31/84/44/887318444.db2.gz AUKMCOSVSKANMJ-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CN(C)C(=O)Cn1cc(C(=O)NCCN(C)CCO)nn1 ZINC001366596885 887319641 /nfs/dbraw/zinc/31/96/41/887319641.db2.gz PKGCWRZRVAOAGU-UHFFFAOYSA-N 0 3 298.347 -1.980 20 0 CAADHN CCN(CCNC(=O)c1nnn(C)n1)CCn1cncn1 ZINC001366629277 887320237 /nfs/dbraw/zinc/32/02/37/887320237.db2.gz QPKPRHJIULLJLT-UHFFFAOYSA-N 0 3 293.335 -1.447 20 0 CAADHN CCN(CCNC(=O)c1cnn(C)n1)C[C@@H](O)COC ZINC001366633164 887321527 /nfs/dbraw/zinc/32/15/27/887321527.db2.gz JEKOCLGZMDHEGB-SNVBAGLBSA-N 0 3 285.348 -1.126 20 0 CAADHN CCN(CCNC(=O)c1cn(C)nn1)C[C@@H](O)COC ZINC001366608299 887322034 /nfs/dbraw/zinc/32/20/34/887322034.db2.gz HKSLNWCDXJMRJX-SNVBAGLBSA-N 0 3 285.348 -1.126 20 0 CAADHN CCN(CCNC(=O)CN1CCCC1)CC(=O)NC(N)=O ZINC001366641273 887323642 /nfs/dbraw/zinc/32/36/42/887323642.db2.gz RAEJITOACQRKFD-UHFFFAOYSA-N 0 3 299.375 -1.285 20 0 CAADHN CNC(=O)CN1CC[C@H](CNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001366685936 887325396 /nfs/dbraw/zinc/32/53/96/887325396.db2.gz BYKKKCAVIAJWRA-SNVBAGLBSA-N 0 3 294.359 -1.160 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)Cn2cncn2)C1 ZINC001366709515 887326950 /nfs/dbraw/zinc/32/69/50/887326950.db2.gz GHUFOBSQIDQDQP-GHMZBOCLSA-N 0 3 294.359 -1.020 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)CNC(C)=O)C1 ZINC001366675165 887329480 /nfs/dbraw/zinc/32/94/80/887329480.db2.gz WKXZJEWKTSCKGC-MNOVXSKESA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001366709521 887329593 /nfs/dbraw/zinc/32/95/93/887329593.db2.gz GHUFOBSQIDQDQP-WDEREUQCSA-N 0 3 294.359 -1.020 20 0 CAADHN CNC(=O)CN1CC[C@H](CNC(=O)CCc2nnc[nH]2)C1 ZINC001366685261 887330027 /nfs/dbraw/zinc/33/00/27/887330027.db2.gz WCPJNJHGQYQGFZ-SNVBAGLBSA-N 0 3 294.359 -1.079 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)Cn2cncn2)C1 ZINC001366709519 887330446 /nfs/dbraw/zinc/33/04/46/887330446.db2.gz GHUFOBSQIDQDQP-QWRGUYRKSA-N 0 3 294.359 -1.020 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001366675171 887330966 /nfs/dbraw/zinc/33/09/66/887330966.db2.gz WKXZJEWKTSCKGC-WDEREUQCSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001366765608 887332441 /nfs/dbraw/zinc/33/24/41/887332441.db2.gz TXYBMLHTWCJMCV-NEPJUHHUSA-N 0 3 298.387 -1.404 20 0 CAADHN COC[C@@H](O)CN(CCNC(=O)c1nnn(C)n1)C1CC1 ZINC001366745273 887332551 /nfs/dbraw/zinc/33/25/51/887332551.db2.gz MZVDRTDFTIHPEL-JTQLQIEISA-N 0 3 298.347 -1.588 20 0 CAADHN CCN1C[C@@H](C(=O)N(C)CCN[C@H]2CCNC2=O)CC1=O ZINC001366773811 887332729 /nfs/dbraw/zinc/33/27/29/887332729.db2.gz VBQWATGBQIWHTQ-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)Cn2cncn2)C1=O ZINC001366778939 887332796 /nfs/dbraw/zinc/33/27/96/887332796.db2.gz YCLNPNBKDQEESU-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1)C(=O)NC1CC1 ZINC001366757956 887333168 /nfs/dbraw/zinc/33/31/68/887333168.db2.gz CGAKNBYFAZZJMP-GXSJLCMTSA-N 0 3 296.371 -1.020 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001366776727 887333736 /nfs/dbraw/zinc/33/37/36/887333736.db2.gz PVUJGAKAFXNSPU-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001366765611 887334221 /nfs/dbraw/zinc/33/42/21/887334221.db2.gz TXYBMLHTWCJMCV-VXGBXAGGSA-N 0 3 298.387 -1.404 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1CCCC(=O)N1)C(N)=O ZINC001366768230 887334486 /nfs/dbraw/zinc/33/44/86/887334486.db2.gz NUTNOULGKSQYKY-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1nnn(C(C)(C)C)n1)C(N)=O ZINC001366774948 887334517 /nfs/dbraw/zinc/33/45/17/887334517.db2.gz YHUBUQYELWZTBH-MRVPVSSYSA-N 0 3 297.363 -1.037 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)c1cn(C)nn1 ZINC001366767886 887334726 /nfs/dbraw/zinc/33/47/26/887334726.db2.gz GTTPZIVTHSSMDP-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001366779352 887335233 /nfs/dbraw/zinc/33/52/33/887335233.db2.gz WQRDTSPODQYWAY-DTWKUNHWSA-N 0 3 283.332 -2.006 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001366779355 887335414 /nfs/dbraw/zinc/33/54/14/887335414.db2.gz WQRDTSPODQYWAY-IUCAKERBSA-N 0 3 283.332 -2.006 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CN(C)CCO1)C(N)=O ZINC001366766141 887335783 /nfs/dbraw/zinc/33/57/83/887335783.db2.gz VNCBEGPPCNSZDL-NXEZZACHSA-N 0 3 272.349 -1.761 20 0 CAADHN Cc1nc(C(=O)N(C)CCN[C@H](C)C(N)=O)c(=O)[nH]c1C ZINC001366767979 887335839 /nfs/dbraw/zinc/33/58/39/887335839.db2.gz MFMMXKLTZFNGSA-SECBINFHSA-N 0 3 295.343 -1.078 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCCS(N)(=O)=O)C(N)=O ZINC001366776760 887335867 /nfs/dbraw/zinc/33/58/67/887335867.db2.gz PZOXABQTWAUYLP-MRVPVSSYSA-N 0 3 294.377 -2.023 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2C[C@H]2C(N)=O)C1=O ZINC001366771512 887336264 /nfs/dbraw/zinc/33/62/64/887336264.db2.gz FAABOWSDSJDEDV-OUAUKWLOSA-N 0 3 296.371 -1.223 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001366772628 887336326 /nfs/dbraw/zinc/33/63/26/887336326.db2.gz CCSOERZXZVANFP-VXGBXAGGSA-N 0 3 296.371 -1.066 20 0 CAADHN CCCNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001366778894 887336384 /nfs/dbraw/zinc/33/63/84/887336384.db2.gz VXMJLSNHPFEGND-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H](C)NC(C)=O)C(N)=O ZINC001366758497 887336670 /nfs/dbraw/zinc/33/66/70/887336670.db2.gz CNVVUOMHGLEHGH-PSASIEDQSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1)C(=O)NC1CC1 ZINC001366757963 887337142 /nfs/dbraw/zinc/33/71/42/887337142.db2.gz CGAKNBYFAZZJMP-MWLCHTKSSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCCS(N)(=O)=O)C(N)=O ZINC001366776785 887337276 /nfs/dbraw/zinc/33/72/76/887337276.db2.gz PZOXABQTWAUYLP-QMMMGPOBSA-N 0 3 294.377 -2.023 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001366896153 887338355 /nfs/dbraw/zinc/33/83/55/887338355.db2.gz DAQWXBBIZVXWKA-WOPDTQHZSA-N 0 3 299.371 -1.147 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001366818477 887339256 /nfs/dbraw/zinc/33/92/56/887339256.db2.gz LVVHVWQXKRLIIA-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001366835008 887339650 /nfs/dbraw/zinc/33/96/50/887339650.db2.gz VDYJYEUTLAHDOP-MRVPVSSYSA-N 0 3 284.320 -2.496 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001366818471 887340081 /nfs/dbraw/zinc/34/00/81/887340081.db2.gz LVVHVWQXKRLIIA-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001366779359 887341311 /nfs/dbraw/zinc/34/13/11/887341311.db2.gz WQRDTSPODQYWAY-RKDXNWHRSA-N 0 3 283.332 -2.006 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001366835010 887341541 /nfs/dbraw/zinc/34/15/41/887341541.db2.gz VDYJYEUTLAHDOP-QMMMGPOBSA-N 0 3 284.320 -2.496 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001366887632 887341794 /nfs/dbraw/zinc/34/17/94/887341794.db2.gz DAQWXBBIZVXWKA-IJLUTSLNSA-N 0 3 299.371 -1.147 20 0 CAADHN CC[C@@H](C(=O)NC1CN(Cc2nnn(C)n2)C1)N(C)C ZINC001366941014 887346823 /nfs/dbraw/zinc/34/68/23/887346823.db2.gz BQRWYANQFCNDAE-JTQLQIEISA-N 0 3 281.364 -1.149 20 0 CAADHN CC(C)[C@@H](C(=O)NC1CN(CC(=O)NC(N)=O)C1)N(C)C ZINC001366944528 887348968 /nfs/dbraw/zinc/34/89/68/887348968.db2.gz JVHQYJDHXYBOPI-NSHDSACASA-N 0 3 299.375 -1.432 20 0 CAADHN CC[C@H](C(=O)NC1CN(Cc2nnn(C)n2)C1)N(C)C ZINC001366941019 887349029 /nfs/dbraw/zinc/34/90/29/887349029.db2.gz BQRWYANQFCNDAE-SNVBAGLBSA-N 0 3 281.364 -1.149 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001366969776 887350338 /nfs/dbraw/zinc/35/03/38/887350338.db2.gz BQKIWNSVZLCBAI-GXSJLCMTSA-N 0 3 287.360 -1.447 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001366961821 887350577 /nfs/dbraw/zinc/35/05/77/887350577.db2.gz OYCBNPVIICEXSJ-VXGBXAGGSA-N 0 3 299.371 -1.432 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001366961813 887351103 /nfs/dbraw/zinc/35/11/03/887351103.db2.gz OYCBNPVIICEXSJ-RYUDHWBXSA-N 0 3 299.371 -1.432 20 0 CAADHN CNC(=O)NCCC(=O)NCC1CN(CCCO)C1 ZINC001366963625 887352099 /nfs/dbraw/zinc/35/20/99/887352099.db2.gz MAGNOSJDGHHWQV-UHFFFAOYSA-N 0 3 272.349 -1.264 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCC1CN(CCCO)C1 ZINC001366968946 887352298 /nfs/dbraw/zinc/35/22/98/887352298.db2.gz WGVNTNQELMJMJZ-UHFFFAOYSA-N 0 3 293.389 -1.644 20 0 CAADHN CNC(=O)NCC(=O)NCC1CN(C[C@@H](O)COC)C1 ZINC001366966059 887353668 /nfs/dbraw/zinc/35/36/68/887353668.db2.gz BUJPNKHTVRCVPD-SNVBAGLBSA-N 0 3 288.348 -2.029 20 0 CAADHN Cc1nn(CC(=O)NCC2CN(C[C@@H](C)O)C2)c(=O)n1C ZINC001366994037 887355843 /nfs/dbraw/zinc/35/58/43/887355843.db2.gz XCBVFSPCGSTGLC-SECBINFHSA-N 0 3 297.359 -1.681 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001367024612 887359807 /nfs/dbraw/zinc/35/98/07/887359807.db2.gz QMLXKCJXOMEVRE-ZJUUUORDSA-N 0 3 284.320 -2.129 20 0 CAADHN Cn1cnnc1COCC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001367034790 887361175 /nfs/dbraw/zinc/36/11/75/887361175.db2.gz BLKSGGANPAORFU-LLVKDONJSA-N 0 3 297.359 -1.095 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001367018858 887361476 /nfs/dbraw/zinc/36/14/76/887361476.db2.gz QFNZHZDFGZQOGO-WDEREUQCSA-N 0 3 298.347 -1.739 20 0 CAADHN COC[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001367009844 887362025 /nfs/dbraw/zinc/36/20/25/887362025.db2.gz XGJPXZADWGJXCJ-UWVGGRQHSA-N 0 3 296.327 -1.006 20 0 CAADHN COC[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001367009844 887362031 /nfs/dbraw/zinc/36/20/31/887362031.db2.gz XGJPXZADWGJXCJ-UWVGGRQHSA-N 0 3 296.327 -1.006 20 0 CAADHN COC[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001367009849 887362106 /nfs/dbraw/zinc/36/21/06/887362106.db2.gz XGJPXZADWGJXCJ-VHSXEESVSA-N 0 3 296.327 -1.006 20 0 CAADHN COC[C@H](O)C[N@H+]1CC[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001367009849 887362110 /nfs/dbraw/zinc/36/21/10/887362110.db2.gz XGJPXZADWGJXCJ-VHSXEESVSA-N 0 3 296.327 -1.006 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)CCCC(N)=O)C1 ZINC001367040440 887362181 /nfs/dbraw/zinc/36/21/81/887362181.db2.gz HUACASKWDKLYKW-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001367015817 887362267 /nfs/dbraw/zinc/36/22/67/887362267.db2.gz JFEHLAZPRMXOEO-MJVIPROJSA-N 0 3 299.371 -1.147 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)COCc2nncn2C)C1 ZINC001367019025 887362817 /nfs/dbraw/zinc/36/28/17/887362817.db2.gz NFMHYXBCXHIIAZ-QWRGUYRKSA-N 0 3 297.359 -1.097 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@H](NC(=O)CCc2cnn[nH]2)C1 ZINC001367032181 887363174 /nfs/dbraw/zinc/36/31/74/887363174.db2.gz HPXBKXZHWOFDTI-WCBMZHEXSA-N 0 3 280.332 -1.198 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001367063860 887364799 /nfs/dbraw/zinc/36/47/99/887364799.db2.gz RKUUKODITFNGCC-NEPJUHHUSA-N 0 3 297.359 -1.182 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001367056269 887364965 /nfs/dbraw/zinc/36/49/65/887364965.db2.gz WDEATJLUUPGQDG-NXEZZACHSA-N 0 3 283.332 -1.042 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)NCC(=O)N(C)CC ZINC001367081966 887365092 /nfs/dbraw/zinc/36/50/92/887365092.db2.gz FFSLCTHLZCJHKN-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001367120102 887365325 /nfs/dbraw/zinc/36/53/25/887365325.db2.gz GPFSRGZTKFNZHZ-BDAKNGLRSA-N 0 3 285.348 -1.712 20 0 CAADHN CC[C@@H](CNC(=O)c1cnn(C)c1N)N[C@@H]1CCNC1=O ZINC001367095555 887365363 /nfs/dbraw/zinc/36/53/63/887365363.db2.gz DZCUDOPJKRRWPX-WCBMZHEXSA-N 0 3 294.359 -1.011 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NC(C)C ZINC001367120306 887365723 /nfs/dbraw/zinc/36/57/23/887365723.db2.gz HLYWBKUCQVBJQH-UWVGGRQHSA-N 0 3 299.375 -1.323 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)Cn1ncnn1 ZINC001367096794 887365758 /nfs/dbraw/zinc/36/57/58/887365758.db2.gz SBLOQFPYAWSZRG-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)NCC(=O)N1CCC1 ZINC001367100298 887366456 /nfs/dbraw/zinc/36/64/56/887366456.db2.gz FZWNVZYRBJJROQ-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CCCNC(=O)CN[C@@H](CC)CNC(=O)c1nnn(C)n1 ZINC001367116841 887366633 /nfs/dbraw/zinc/36/66/33/887366633.db2.gz QGCMHHZVAVTUIY-VIFPVBQESA-N 0 3 297.363 -1.166 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)Cn2cncn2)C1 ZINC001367063864 887366661 /nfs/dbraw/zinc/36/66/61/887366661.db2.gz RKUUKODITFNGCC-RYUDHWBXSA-N 0 3 297.359 -1.182 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CNC(=O)N1 ZINC001367120104 887367045 /nfs/dbraw/zinc/36/70/45/887367045.db2.gz GPFSRGZTKFNZHZ-DTWKUNHWSA-N 0 3 285.348 -1.712 20 0 CAADHN CC[C@H](CNC(=O)c1cc(=O)n(C)cn1)NCC(=O)NC ZINC001367101103 887367474 /nfs/dbraw/zinc/36/74/74/887367474.db2.gz OILAAWIZBVFLDR-SECBINFHSA-N 0 3 295.343 -1.376 20 0 CAADHN CC[C@H](CNC(=O)CN1CCNC(=O)C1)NCCF ZINC001367108999 887367950 /nfs/dbraw/zinc/36/79/50/887367950.db2.gz BHNQPVMFLHCHNK-SNVBAGLBSA-N 0 3 274.340 -1.128 20 0 CAADHN CC[C@@H](CNC(=O)c1cc(=O)n(C)cn1)NCC(=O)NC ZINC001367101104 887368203 /nfs/dbraw/zinc/36/82/03/887368203.db2.gz OILAAWIZBVFLDR-VIFPVBQESA-N 0 3 295.343 -1.376 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)NCC(N)=O ZINC001367107344 887368383 /nfs/dbraw/zinc/36/83/83/887368383.db2.gz IIACFYUNWHJAON-YUMQZZPRSA-N 0 3 279.362 -1.611 20 0 CAADHN CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cc1nnc[n-]1 ZINC001367278180 887372660 /nfs/dbraw/zinc/37/26/60/887372660.db2.gz KCAHGLQMAXZXJS-SECBINFHSA-N 0 3 282.348 -1.175 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@H](C)CN[C@H](C)C(N)=O)[nH]1 ZINC001367338877 887375582 /nfs/dbraw/zinc/37/55/82/887375582.db2.gz CVXZLFJJQIENCB-HTQZYQBOSA-N 0 3 282.348 -1.034 20 0 CAADHN CO[C@H](C)C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001367344895 887375977 /nfs/dbraw/zinc/37/59/77/887375977.db2.gz LPTWGMDKWRLFAS-JGVFFNPUSA-N 0 3 274.321 -1.347 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@@H](C)CN[C@@H]2CCNC2=O)[nH]1 ZINC001367343642 887376636 /nfs/dbraw/zinc/37/66/36/887376636.db2.gz MNXXQMHIOSOIGG-WCBMZHEXSA-N 0 3 294.359 -1.019 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CNC(=O)C1CC1 ZINC001367346303 887377791 /nfs/dbraw/zinc/37/77/91/887377791.db2.gz MYXNTNQSQZYXEO-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN COC(=O)NCC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001367313195 887378392 /nfs/dbraw/zinc/37/83/92/887378392.db2.gz RTNWGLUVVRWDLE-UHFFFAOYSA-N 0 3 286.332 -1.154 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)Cn1ncn(C)c1=O ZINC001367371124 887379571 /nfs/dbraw/zinc/37/95/71/887379571.db2.gz SKAPTYDCUBHSCH-VIFPVBQESA-N 0 3 298.347 -2.236 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001367388618 887379629 /nfs/dbraw/zinc/37/96/29/887379629.db2.gz ZROVNNPJLUXTTB-MPPDQPJWSA-N 0 3 299.371 -1.040 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001367395925 887379660 /nfs/dbraw/zinc/37/96/60/887379660.db2.gz JJABWEZAUYFWPA-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@@H](C)CN[C@H]1CCNC1=O ZINC001367356032 887380444 /nfs/dbraw/zinc/38/04/44/887380444.db2.gz JIXJPNMMXDQYBS-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001367414155 887380557 /nfs/dbraw/zinc/38/05/57/887380557.db2.gz ZBOSUMQWUFJRLP-QMMMGPOBSA-N 0 3 294.377 -2.200 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001367355481 887381077 /nfs/dbraw/zinc/38/10/77/887381077.db2.gz MRBIJSWAEASZMK-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001367355480 887381146 /nfs/dbraw/zinc/38/11/46/887381146.db2.gz MRBIJSWAEASZMK-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)Cn1cncn1 ZINC001367423741 887381276 /nfs/dbraw/zinc/38/12/76/887381276.db2.gz KSQYDLYPEBRLMV-JTQLQIEISA-N 0 3 282.348 -1.116 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001367357704 887382678 /nfs/dbraw/zinc/38/26/78/887382678.db2.gz KFEJGEIDPNKMMK-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001367355478 887382964 /nfs/dbraw/zinc/38/29/64/887382964.db2.gz MRBIJSWAEASZMK-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN CC(C)[C@@H](CNC(=O)CCc1cnn(C)n1)NCC(N)=O ZINC001367479017 887383057 /nfs/dbraw/zinc/38/30/57/887383057.db2.gz IKRLRAKLGNCTGN-LLVKDONJSA-N 0 3 296.375 -1.037 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)CNC(C)=O ZINC001367500736 887387088 /nfs/dbraw/zinc/38/70/88/887387088.db2.gz HYEUTTLCQJMYOO-NSHDSACASA-N 0 3 275.349 -1.480 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)NCC(N)=O ZINC001367496276 887387752 /nfs/dbraw/zinc/38/77/52/887387752.db2.gz YABZLKDELLYADK-VHSXEESVSA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001367533473 887387835 /nfs/dbraw/zinc/38/78/35/887387835.db2.gz IHHKVQAVKWTISK-BDAKNGLRSA-N 0 3 286.332 -1.645 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCC(=O)N1CCCCC1 ZINC001367559751 887388492 /nfs/dbraw/zinc/38/84/92/887388492.db2.gz HYOQTHIVCKSSSY-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)NCC(N)=O ZINC001367496277 887388511 /nfs/dbraw/zinc/38/85/11/887388511.db2.gz YABZLKDELLYADK-ZJUUUORDSA-N 0 3 284.360 -1.272 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnc(C)cn1)C(N)=O ZINC001367566305 887389301 /nfs/dbraw/zinc/38/93/01/887389301.db2.gz DMRQCCMEXLWYAH-UWVGGRQHSA-N 0 3 295.343 -1.271 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCCO1)N1CCCC1 ZINC001367564846 887389432 /nfs/dbraw/zinc/38/94/32/887389432.db2.gz CEVPZIDNRAZDFJ-VXGBXAGGSA-N 0 3 299.371 -1.146 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccn[nH]1)N1CCC1 ZINC001367563191 887389604 /nfs/dbraw/zinc/38/96/04/887389604.db2.gz DLYHOTBSNISGJA-VIFPVBQESA-N 0 3 281.316 -1.678 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1ccncc1 ZINC001367563124 887389675 /nfs/dbraw/zinc/38/96/75/887389675.db2.gz LVULENFWPQOGEQ-WDEREUQCSA-N 0 3 278.312 -1.350 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnccn1)N1CCC1 ZINC001367562682 887390115 /nfs/dbraw/zinc/39/01/15/887390115.db2.gz FTDSNIYJAPUXGF-JTQLQIEISA-N 0 3 293.327 -1.611 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001367565619 887390409 /nfs/dbraw/zinc/39/04/09/887390409.db2.gz JBELYKZVHSJYIY-JTQLQIEISA-N 0 3 288.348 -2.380 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnc(C)cn1)C(N)=O ZINC001367566313 887390762 /nfs/dbraw/zinc/39/07/62/887390762.db2.gz DMRQCCMEXLWYAH-ZJUUUORDSA-N 0 3 295.343 -1.271 20 0 CAADHN Cn1cccc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001367564865 887390878 /nfs/dbraw/zinc/39/08/78/887390878.db2.gz BQLJUMYNVCCVAL-VHSXEESVSA-N 0 3 280.328 -1.406 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001367565427 887391210 /nfs/dbraw/zinc/39/12/10/887391210.db2.gz NPGKHUWVDUMSCM-SECBINFHSA-N 0 3 284.320 -2.184 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cnccn1 ZINC001367562517 887391625 /nfs/dbraw/zinc/39/16/25/887391625.db2.gz FJVVCZLHCYMFCB-IUCAKERBSA-N 0 3 279.300 -1.955 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccon1 ZINC001367565751 887392023 /nfs/dbraw/zinc/39/20/23/887392023.db2.gz JDQNWUDCYYLLRI-JGVFFNPUSA-N 0 3 270.289 -1.511 20 0 CAADHN CN1CCC[C@H](NC[C@@H](O)CNC(=O)C(F)F)C1=O ZINC001367561288 887392110 /nfs/dbraw/zinc/39/21/10/887392110.db2.gz LHMGGCBSGYQUTC-SFYZADRCSA-N 0 3 279.287 -1.061 20 0 CAADHN Cn1cccc1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001367567631 887392528 /nfs/dbraw/zinc/39/25/28/887392528.db2.gz GVFQYAUEVIJJNY-WDEREUQCSA-N 0 3 294.355 -1.016 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)C1=COCCO1 ZINC001367567542 887392664 /nfs/dbraw/zinc/39/26/64/887392664.db2.gz GOCBHBRWEOTVHX-NSHDSACASA-N 0 3 296.327 -1.125 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)COC(C)(C)C)C(N)=O ZINC001367576001 887393810 /nfs/dbraw/zinc/39/38/10/887393810.db2.gz PEWJTBXRHSZQSR-RKDXNWHRSA-N 0 3 275.349 -1.258 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)CNC(C)=O)C(N)=O ZINC001367570092 887394076 /nfs/dbraw/zinc/39/40/76/887394076.db2.gz WIBAJHYKAHUJMA-RKDXNWHRSA-N 0 3 274.321 -2.547 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ocnc1C ZINC001367576056 887394149 /nfs/dbraw/zinc/39/41/49/887394149.db2.gz ATVOMNLHDNQLBH-RKDXNWHRSA-N 0 3 284.316 -1.202 20 0 CAADHN Cn1nncc1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001367573278 887394178 /nfs/dbraw/zinc/39/41/78/887394178.db2.gz APECZPNFDIPAMB-DTWKUNHWSA-N 0 3 296.331 -2.226 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1=CCOCC1)C(N)=O ZINC001367573848 887394410 /nfs/dbraw/zinc/39/44/10/887394410.db2.gz KWALNWGZJOLWKA-WCBMZHEXSA-N 0 3 271.317 -1.726 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001367572559 887394647 /nfs/dbraw/zinc/39/46/47/887394647.db2.gz AWJURMQEXURMCN-SNVBAGLBSA-N 0 3 297.359 -1.075 20 0 CAADHN Cn1nncc1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001367573111 887394873 /nfs/dbraw/zinc/39/48/73/887394873.db2.gz APECZPNFDIPAMB-BDAKNGLRSA-N 0 3 296.331 -2.226 20 0 CAADHN Cc1nscc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001367571921 887395230 /nfs/dbraw/zinc/39/52/30/887395230.db2.gz FXXLOAYRTWGHSD-SSDOTTSWSA-N 0 3 272.330 -1.383 20 0 CAADHN CCN(CC)C(=O)CNC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001367578364 887395546 /nfs/dbraw/zinc/39/55/46/887395546.db2.gz CGLZZNKYUPXSSC-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCOC1)NCC1CC1 ZINC001367576598 887395871 /nfs/dbraw/zinc/39/58/71/887395871.db2.gz AMHITEAZKQGWOF-RYUDHWBXSA-N 0 3 299.371 -1.384 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cn1cccn1)C(N)=O ZINC001367572713 887395984 /nfs/dbraw/zinc/39/59/84/887395984.db2.gz ZGFZOICLVHWULC-UWVGGRQHSA-N 0 3 283.332 -1.786 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCn1cncn1 ZINC001367572175 887396015 /nfs/dbraw/zinc/39/60/15/887396015.db2.gz MOILGDBRSUKINS-SECBINFHSA-N 0 3 284.320 -2.519 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1=CCOCC1)NC1CC1 ZINC001367570469 887396274 /nfs/dbraw/zinc/39/62/74/887396274.db2.gz AAFPTDXQYZJJPK-GFCCVEGCSA-N 0 3 297.355 -1.322 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001367574461 887396468 /nfs/dbraw/zinc/39/64/68/887396468.db2.gz ZRRSEZJDKAPZFS-JTQLQIEISA-N 0 3 299.331 -1.657 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccc[nH]1)NC1CC1 ZINC001367571052 887397172 /nfs/dbraw/zinc/39/71/72/887397172.db2.gz VUWSITDKWZUKRE-JTQLQIEISA-N 0 3 280.328 -1.026 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001367581062 887397734 /nfs/dbraw/zinc/39/77/34/887397734.db2.gz LMZHSWCKMJFNJR-HTQZYQBOSA-N 0 3 288.304 -2.702 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CNCc2ccnn2C)n1 ZINC001367583611 887398018 /nfs/dbraw/zinc/39/80/18/887398018.db2.gz MKRJOAGCOYODOB-SNVBAGLBSA-N 0 3 293.331 -1.571 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1nccnc1N ZINC001367579158 887398126 /nfs/dbraw/zinc/39/81/26/887398126.db2.gz KNGVAASWHQTZFY-QMMMGPOBSA-N 0 3 296.331 -2.173 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001367583007 887398236 /nfs/dbraw/zinc/39/82/36/887398236.db2.gz DBLMNGZJXYJGCC-QMMMGPOBSA-N 0 3 293.345 -3.156 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001367581235 887398340 /nfs/dbraw/zinc/39/83/40/887398340.db2.gz GZYGQCVNJSUFND-HTQZYQBOSA-N 0 3 295.361 -2.638 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cnnn1C ZINC001367584028 887398414 /nfs/dbraw/zinc/39/84/14/887398414.db2.gz POAJMJULBFWAKF-VIFPVBQESA-N 0 3 298.347 -1.978 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1CC(OC)C1 ZINC001367584411 887398520 /nfs/dbraw/zinc/39/85/20/887398520.db2.gz DLXGABWFKAQZRA-HWOCKDDLSA-N 0 3 273.333 -1.776 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)no1 ZINC001367581099 887398664 /nfs/dbraw/zinc/39/86/64/887398664.db2.gz ZOWOHZOPTXVAHL-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCCCO1)N1CCC1 ZINC001367583833 887398769 /nfs/dbraw/zinc/39/87/69/887398769.db2.gz PCLBAGOBEANZNI-NEPJUHHUSA-N 0 3 299.371 -1.146 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)no1 ZINC001367581133 887398824 /nfs/dbraw/zinc/39/88/24/887398824.db2.gz ZOWOHZOPTXVAHL-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1n[nH]cc1C ZINC001367580555 887398851 /nfs/dbraw/zinc/39/88/51/887398851.db2.gz LAUUGYWGDZANEK-SECBINFHSA-N 0 3 283.332 -1.465 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1nccnc1N ZINC001367579156 887398864 /nfs/dbraw/zinc/39/88/64/887398864.db2.gz KNGVAASWHQTZFY-MRVPVSSYSA-N 0 3 296.331 -2.173 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnnc(C)c1)C(N)=O ZINC001367581744 887398944 /nfs/dbraw/zinc/39/89/44/887398944.db2.gz MPMWSRNFKAKZOR-GHMZBOCLSA-N 0 3 295.343 -1.271 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cnnn1C ZINC001367584027 887399051 /nfs/dbraw/zinc/39/90/51/887399051.db2.gz POAJMJULBFWAKF-SECBINFHSA-N 0 3 298.347 -1.978 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1CC(OC)C1 ZINC001367584423 887399155 /nfs/dbraw/zinc/39/91/55/887399155.db2.gz DLXGABWFKAQZRA-KYHHOPLUSA-N 0 3 273.333 -1.776 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cocn2)n[nH]1 ZINC001367582342 887399879 /nfs/dbraw/zinc/39/98/79/887399879.db2.gz OPMSAPMTPYXIMY-QMMMGPOBSA-N 0 3 280.288 -1.018 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(C)sn1 ZINC001367580083 887400151 /nfs/dbraw/zinc/40/01/51/887400151.db2.gz JUCNXWITOOFNLQ-QMMMGPOBSA-N 0 3 286.357 -1.122 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(OC)ncn1 ZINC001367584734 887400177 /nfs/dbraw/zinc/40/01/77/887400177.db2.gz RUEDYMSEHNWVKV-MRVPVSSYSA-N 0 3 297.315 -2.089 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCCCO1)N1CCC1 ZINC001367583841 887400740 /nfs/dbraw/zinc/40/07/40/887400740.db2.gz PCLBAGOBEANZNI-VXGBXAGGSA-N 0 3 299.371 -1.146 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001367584565 887400784 /nfs/dbraw/zinc/40/07/84/887400784.db2.gz NNSNGZCMWWNHEQ-MRVPVSSYSA-N 0 3 284.320 -2.416 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCCCO1)N1CCC1 ZINC001367583838 887400897 /nfs/dbraw/zinc/40/08/97/887400897.db2.gz PCLBAGOBEANZNI-RYUDHWBXSA-N 0 3 299.371 -1.146 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)[nH]n1 ZINC001367585090 887402181 /nfs/dbraw/zinc/40/21/81/887402181.db2.gz LWIWLUOUYXUOLJ-NXEZZACHSA-N 0 3 295.343 -1.323 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ncn(C)n1)C(=O)N(C)C ZINC001367589849 887402252 /nfs/dbraw/zinc/40/22/52/887402252.db2.gz UZWUNIGTIGHWRX-DTWKUNHWSA-N 0 3 298.347 -2.028 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1=O ZINC001367590378 887402369 /nfs/dbraw/zinc/40/23/69/887402369.db2.gz WRNKXHZANGDSTH-RKDXNWHRSA-N 0 3 281.316 -1.679 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)c1 ZINC001367586240 887402470 /nfs/dbraw/zinc/40/24/70/887402470.db2.gz RXRKFAIQUKCNPQ-VHSXEESVSA-N 0 3 295.343 -1.669 20 0 CAADHN Cc1cnccc1CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001367588053 887402487 /nfs/dbraw/zinc/40/24/87/887402487.db2.gz ZEPLKJDWXCDTPS-CMPLNLGQSA-N 0 3 294.355 -1.127 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnc2cc[nH]c2c1 ZINC001367591703 887402655 /nfs/dbraw/zinc/40/26/55/887402655.db2.gz CLNARBIKKFHKBL-SECBINFHSA-N 0 3 291.311 -1.272 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)[nH]n1 ZINC001367585147 887402791 /nfs/dbraw/zinc/40/27/91/887402791.db2.gz LWIWLUOUYXUOLJ-VHSXEESVSA-N 0 3 295.343 -1.323 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)c1 ZINC001367590052 887402933 /nfs/dbraw/zinc/40/29/33/887402933.db2.gz YBVMLPYNJQAWKF-SNVBAGLBSA-N 0 3 295.343 -1.621 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)c1 ZINC001367584987 887403008 /nfs/dbraw/zinc/40/30/08/887403008.db2.gz QTFQRSNTQSLEEW-LBPRGKRZSA-N 0 3 294.355 -1.062 20 0 CAADHN COC[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001367587231 887403105 /nfs/dbraw/zinc/40/31/05/887403105.db2.gz VBIMOWAPLPLBTP-UWVGGRQHSA-N 0 3 275.349 -1.576 20 0 CAADHN COC[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001367587229 887403121 /nfs/dbraw/zinc/40/31/21/887403121.db2.gz VBIMOWAPLPLBTP-NXEZZACHSA-N 0 3 275.349 -1.576 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ncn(C)n1)C(=O)N(C)C ZINC001367589852 887403350 /nfs/dbraw/zinc/40/33/50/887403350.db2.gz UZWUNIGTIGHWRX-IUCAKERBSA-N 0 3 298.347 -2.028 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)Cc2cc[nH]n2)C1=O ZINC001367587653 887403512 /nfs/dbraw/zinc/40/35/12/887403512.db2.gz SERVMLOMAQHJEN-WDEREUQCSA-N 0 3 295.343 -1.750 20 0 CAADHN COC[C@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001367587232 887403718 /nfs/dbraw/zinc/40/37/18/887403718.db2.gz VBIMOWAPLPLBTP-VHSXEESVSA-N 0 3 275.349 -1.576 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001367591338 887404009 /nfs/dbraw/zinc/40/40/09/887404009.db2.gz DUVTVXNKFZPVAK-JGVFFNPUSA-N 0 3 272.305 -2.935 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1ccnn1C ZINC001367589492 887404030 /nfs/dbraw/zinc/40/40/30/887404030.db2.gz UMZMFQHYOYFJRV-JTQLQIEISA-N 0 3 297.359 -1.373 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCNC1=O ZINC001367591346 887404096 /nfs/dbraw/zinc/40/40/96/887404096.db2.gz DUVTVXNKFZPVAK-YUMQZZPRSA-N 0 3 272.305 -2.935 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001367591027 887404168 /nfs/dbraw/zinc/40/41/68/887404168.db2.gz YPQXGXUJEVIPOU-SECBINFHSA-N 0 3 298.347 -1.978 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)c1 ZINC001367590048 887404268 /nfs/dbraw/zinc/40/42/68/887404268.db2.gz YBVMLPYNJQAWKF-JTQLQIEISA-N 0 3 295.343 -1.621 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H](C)SC ZINC001367590269 887404426 /nfs/dbraw/zinc/40/44/26/887404426.db2.gz YZMZBFSGPMBJPE-RKDXNWHRSA-N 0 3 277.390 -1.059 20 0 CAADHN Cn1ncc(CNC[C@@H](O)CNC(=O)[C@H]2CCCN2C)n1 ZINC001367601568 887405451 /nfs/dbraw/zinc/40/54/51/887405451.db2.gz GRHKXXGKWUSIOU-VXGBXAGGSA-N 0 3 296.375 -1.524 20 0 CAADHN CC(C)(C)c1cc(C(=O)NC[C@H](O)CNCC(N)=O)[nH]n1 ZINC001367600980 887405599 /nfs/dbraw/zinc/40/55/99/887405599.db2.gz DLGOOZXFWLUQLK-MRVPVSSYSA-N 0 3 297.359 -1.127 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)ccn1 ZINC001367597976 887405620 /nfs/dbraw/zinc/40/56/20/887405620.db2.gz LJGBIOBQFMZPPO-PSASIEDQSA-N 0 3 296.327 -1.356 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)ccn1 ZINC001367597981 887405967 /nfs/dbraw/zinc/40/59/67/887405967.db2.gz LJGBIOBQFMZPPO-SCZZXKLOSA-N 0 3 296.327 -1.356 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)CCC1 ZINC001367596180 887406237 /nfs/dbraw/zinc/40/62/37/887406237.db2.gz AIDRDLWRKORFGF-QWRGUYRKSA-N 0 3 299.371 -1.242 20 0 CAADHN COc1ccnc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001367599205 887406261 /nfs/dbraw/zinc/40/62/61/887406261.db2.gz BWJQZJXXMLMWTB-QMMMGPOBSA-N 0 3 282.300 -1.744 20 0 CAADHN CC(C)n1ccc(CC(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001367599537 887406455 /nfs/dbraw/zinc/40/64/55/887406455.db2.gz LFQLCRFTLSIZCN-LLVKDONJSA-N 0 3 297.359 -1.442 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnc2n1CCC2)C(N)=O ZINC001367594536 887406506 /nfs/dbraw/zinc/40/65/06/887406506.db2.gz NABFPBQGWZNASP-DTWKUNHWSA-N 0 3 295.343 -1.617 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1ccon1 ZINC001367600376 887406576 /nfs/dbraw/zinc/40/65/76/887406576.db2.gz NUSODJVLLGVPIH-SNVBAGLBSA-N 0 3 284.316 -1.580 20 0 CAADHN CCc1c(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cnn1C ZINC001367601030 887406612 /nfs/dbraw/zinc/40/66/12/887406612.db2.gz DRRMACVIDAJJFI-IUCAKERBSA-N 0 3 297.359 -1.463 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1ccncc1 ZINC001367597233 887406646 /nfs/dbraw/zinc/40/66/46/887406646.db2.gz ITVGWAKCGORURD-GFCCVEGCSA-N 0 3 294.355 -1.173 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cncs1)[C@H]1CNC(=O)N1 ZINC001367602666 887406662 /nfs/dbraw/zinc/40/66/62/887406662.db2.gz QFXTUCYQDSZVSB-IONNQARKSA-N 0 3 299.356 -1.609 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)ccc1=O ZINC001367602748 887406911 /nfs/dbraw/zinc/40/69/11/887406911.db2.gz LWZATALJHRNPDN-VIFPVBQESA-N 0 3 296.327 -2.188 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cncs1 ZINC001367591835 887406951 /nfs/dbraw/zinc/40/69/51/887406951.db2.gz YUZIKIUGLQKSOX-HTQZYQBOSA-N 0 3 286.357 -1.042 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)CCC1 ZINC001367596178 887407035 /nfs/dbraw/zinc/40/70/35/887407035.db2.gz AIDRDLWRKORFGF-GHMZBOCLSA-N 0 3 299.371 -1.242 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccsn1 ZINC001367595311 887407094 /nfs/dbraw/zinc/40/70/94/887407094.db2.gz WSUGDETXLMZMNJ-SFYZADRCSA-N 0 3 284.341 -1.288 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1ccc(=O)[nH]c1 ZINC001367599090 887407209 /nfs/dbraw/zinc/40/72/09/887407209.db2.gz JWLTZCKQFLQCQF-JTQLQIEISA-N 0 3 296.327 -1.728 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccsn1 ZINC001367595298 887407291 /nfs/dbraw/zinc/40/72/91/887407291.db2.gz WSUGDETXLMZMNJ-HTQZYQBOSA-N 0 3 284.341 -1.288 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnc2n1CCC2)C(N)=O ZINC001367594538 887407463 /nfs/dbraw/zinc/40/74/63/887407463.db2.gz NABFPBQGWZNASP-RKDXNWHRSA-N 0 3 295.343 -1.617 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccsn1 ZINC001367595313 887407471 /nfs/dbraw/zinc/40/74/71/887407471.db2.gz WSUGDETXLMZMNJ-YUMQZZPRSA-N 0 3 284.341 -1.288 20 0 CAADHN CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001367602808 887407477 /nfs/dbraw/zinc/40/74/77/887407477.db2.gz PQOYUFMHFYTSKH-BBBLOLIVSA-N 0 3 273.333 -1.647 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2n[nH]cc2F)C1=O ZINC001367612368 887408355 /nfs/dbraw/zinc/40/83/55/887408355.db2.gz XVDXSRCRGPNIRU-CBAPKCEASA-N 0 3 299.306 -1.540 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2n[nH]cc2F)C1=O ZINC001367612371 887408449 /nfs/dbraw/zinc/40/84/49/887408449.db2.gz XVDXSRCRGPNIRU-VXNVDRBHSA-N 0 3 299.306 -1.540 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@@H](CC)C(N)=O ZINC001367610247 887408589 /nfs/dbraw/zinc/40/85/89/887408589.db2.gz SKDQRQZPDXQVKY-KWQFWETISA-N 0 3 297.359 -1.084 20 0 CAADHN CCc1ccc(CC(=O)NC[C@@H](O)CNCC(N)=O)nc1 ZINC001367612998 887408724 /nfs/dbraw/zinc/40/87/24/887408724.db2.gz AMRQHWXLSGLQNV-LBPRGKRZSA-N 0 3 294.355 -1.262 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cccnn2)n[nH]1 ZINC001367613833 887408912 /nfs/dbraw/zinc/40/89/12/887408912.db2.gz MVNZGTZNQGYWGU-VIFPVBQESA-N 0 3 291.315 -1.216 20 0 CAADHN Cc1nonc1CNC[C@H](O)CNC(=O)Cc1cnc[nH]1 ZINC001367609430 887409063 /nfs/dbraw/zinc/40/90/63/887409063.db2.gz GWKSUAMYHNVKFD-JTQLQIEISA-N 0 3 294.315 -1.089 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2n[nH]cc2F)C1=O ZINC001367612369 887409092 /nfs/dbraw/zinc/40/90/92/887409092.db2.gz XVDXSRCRGPNIRU-IONNQARKSA-N 0 3 299.306 -1.540 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@H](O)CN[C@@H](CC)C(N)=O ZINC001367610240 887409248 /nfs/dbraw/zinc/40/92/48/887409248.db2.gz SKDQRQZPDXQVKY-KCJUWKMLSA-N 0 3 297.359 -1.084 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1n[nH]cc1F)C(N)=O ZINC001367607612 887409978 /nfs/dbraw/zinc/40/99/78/887409978.db2.gz IHZLBZUYHNIPAS-PHDIDXHHSA-N 0 3 273.268 -1.897 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cncn1C)C(N)=O ZINC001367612156 887410036 /nfs/dbraw/zinc/41/00/36/887410036.db2.gz ZARGUOPLGBPLSQ-DTWKUNHWSA-N 0 3 283.332 -1.636 20 0 CAADHN CCCn1ncc(C(=O)NC[C@H](O)CNCC(N)=O)c1C ZINC001367613521 887410098 /nfs/dbraw/zinc/41/00/98/887410098.db2.gz MLIUJABYGAPQFF-SNVBAGLBSA-N 0 3 297.359 -1.233 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1c(C)nn(C)c1C ZINC001367605971 887410164 /nfs/dbraw/zinc/41/01/64/887410164.db2.gz DTRHAOHMZXAYLR-JTQLQIEISA-N 0 3 297.359 -1.537 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cn1nccc1C)C(N)=O ZINC001367619239 887411381 /nfs/dbraw/zinc/41/13/81/887411381.db2.gz JWXZVAXNOMYEQM-QWRGUYRKSA-N 0 3 297.359 -1.478 20 0 CAADHN O=C(CCn1cccc1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001367623706 887411310 /nfs/dbraw/zinc/41/13/10/887411310.db2.gz ZGBDEIVGZDJDBP-VXGBXAGGSA-N 0 3 294.355 -1.167 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001367615974 887411353 /nfs/dbraw/zinc/41/13/53/887411353.db2.gz JAXOHUAUEIUHIP-IVZWLZJFSA-N 0 3 281.312 -1.065 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNCc1nnnn1C)N(C)C ZINC001367614491 887411468 /nfs/dbraw/zinc/41/14/68/887411468.db2.gz FJSJUOJZIOGVAE-ZJUUUORDSA-N 0 3 299.379 -1.883 20 0 CAADHN CCCn1cc(C(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001367614310 887411551 /nfs/dbraw/zinc/41/15/51/887411551.db2.gz CWCYYVUQJYHDRS-SNVBAGLBSA-N 0 3 283.332 -1.541 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnn(C(C)C)c1 ZINC001367615233 887411616 /nfs/dbraw/zinc/41/16/16/887411616.db2.gz BFYZQFNNHXFMFG-NSHDSACASA-N 0 3 297.359 -1.110 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001367625101 887411646 /nfs/dbraw/zinc/41/16/46/887411646.db2.gz DFZMMDBLKYUWLG-RKDXNWHRSA-N 0 3 297.315 -1.663 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001367616492 887412102 /nfs/dbraw/zinc/41/21/02/887412102.db2.gz UXQDBLUMSBMMFA-LBPRGKRZSA-N 0 3 292.343 -1.047 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001367621368 887412175 /nfs/dbraw/zinc/41/21/75/887412175.db2.gz VHKWQLWFHXRNFR-LLVKDONJSA-N 0 3 292.343 -1.047 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@]1(C)CCCOC1 ZINC001367622679 887412232 /nfs/dbraw/zinc/41/22/32/887412232.db2.gz WXACTMMKDHKTMH-ZWNOBZJWSA-N 0 3 287.360 -1.384 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccn(C(C)C)n1 ZINC001367623713 887412272 /nfs/dbraw/zinc/41/22/72/887412272.db2.gz QCMPAIWOQQPZCN-JTQLQIEISA-N 0 3 297.359 -1.110 20 0 CAADHN CC(C)(C)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001367617902 887412313 /nfs/dbraw/zinc/41/23/13/887412313.db2.gz CMZMFWZEYKKKFM-SSDOTTSWSA-N 0 3 274.321 -1.706 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNCc1cnon1)N(C)C ZINC001367619680 887412402 /nfs/dbraw/zinc/41/24/02/887412402.db2.gz PMJYNRGCZUZEJM-QWRGUYRKSA-N 0 3 285.348 -1.024 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CC[C@@H]1CCCCO1 ZINC001367623723 887412424 /nfs/dbraw/zinc/41/24/24/887412424.db2.gz QCVJIBHPRBNSPP-QWRGUYRKSA-N 0 3 287.360 -1.112 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1nocc1C ZINC001367621007 887412698 /nfs/dbraw/zinc/41/26/98/887412698.db2.gz ORQOSTQUAFWWKE-IUCAKERBSA-N 0 3 284.316 -1.202 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001367616080 887412847 /nfs/dbraw/zinc/41/28/47/887412847.db2.gz MBMHFJTZTIWDDP-JTQLQIEISA-N 0 3 297.359 -1.457 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1cnccn1)C(N)=O ZINC001367615984 887412938 /nfs/dbraw/zinc/41/29/38/887412938.db2.gz GYVUKBKNXKXPHY-KOLCDFICSA-N 0 3 295.343 -1.650 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@H](O)C[NH2+]CC(=O)N1CCC1 ZINC001367616357 887412978 /nfs/dbraw/zinc/41/29/78/887412978.db2.gz DGADWGXCXHOJIJ-SECBINFHSA-N 0 3 296.331 -2.354 20 0 CAADHN CC(C)(C)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001367617910 887413011 /nfs/dbraw/zinc/41/30/11/887413011.db2.gz CMZMFWZEYKKKFM-ZETCQYMHSA-N 0 3 274.321 -1.706 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cn1nccc1C)C(N)=O ZINC001367619243 887413072 /nfs/dbraw/zinc/41/30/72/887413072.db2.gz JWXZVAXNOMYEQM-WDEREUQCSA-N 0 3 297.359 -1.478 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cn1nccc1C)C(N)=O ZINC001367619227 887413139 /nfs/dbraw/zinc/41/31/39/887413139.db2.gz JWXZVAXNOMYEQM-GHMZBOCLSA-N 0 3 297.359 -1.478 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)Cc1ncc[nH]1)NC1CC1 ZINC001367616096 887413169 /nfs/dbraw/zinc/41/31/69/887413169.db2.gz MDGLBQSWUHYKDG-SNVBAGLBSA-N 0 3 295.343 -1.703 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1cnccn1)C(N)=O ZINC001367615990 887413205 /nfs/dbraw/zinc/41/32/05/887413205.db2.gz GYVUKBKNXKXPHY-ONGXEEELSA-N 0 3 295.343 -1.650 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001367624458 887413219 /nfs/dbraw/zinc/41/32/19/887413219.db2.gz AOGHVVBNLILTMD-VHSXEESVSA-N 0 3 297.359 -1.125 20 0 CAADHN O=C(CCn1cccc1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001367623683 887413241 /nfs/dbraw/zinc/41/32/41/887413241.db2.gz ZGBDEIVGZDJDBP-NEPJUHHUSA-N 0 3 294.355 -1.167 20 0 CAADHN CO[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)c1ccccc1 ZINC001367625561 887413249 /nfs/dbraw/zinc/41/32/49/887413249.db2.gz SXBZNWVZBRSKST-WCQYABFASA-N 0 3 295.339 -1.074 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNCc1cnon1)N(C)C ZINC001367619677 887413301 /nfs/dbraw/zinc/41/33/01/887413301.db2.gz PMJYNRGCZUZEJM-MNOVXSKESA-N 0 3 285.348 -1.024 20 0 CAADHN O=C(CCn1cccc1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001367623695 887413320 /nfs/dbraw/zinc/41/33/20/887413320.db2.gz ZGBDEIVGZDJDBP-NWDGAFQWSA-N 0 3 294.355 -1.167 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@]1(C)CCCOC1 ZINC001367622673 887413329 /nfs/dbraw/zinc/41/33/29/887413329.db2.gz WXACTMMKDHKTMH-MFKMUULPSA-N 0 3 287.360 -1.384 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cn1nccc1C)C(N)=O ZINC001367619235 887413418 /nfs/dbraw/zinc/41/34/18/887413418.db2.gz JWXZVAXNOMYEQM-MNOVXSKESA-N 0 3 297.359 -1.478 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc2c([nH]1)CCC2 ZINC001367621660 887413462 /nfs/dbraw/zinc/41/34/62/887413462.db2.gz MFIOQKJUHBIZPL-SNVBAGLBSA-N 0 3 294.355 -1.070 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001367625079 887413481 /nfs/dbraw/zinc/41/34/81/887413481.db2.gz DFZMMDBLKYUWLG-BDAKNGLRSA-N 0 3 297.315 -1.663 20 0 CAADHN CC(C)c1nn(C)cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001367620805 887413490 /nfs/dbraw/zinc/41/34/90/887413490.db2.gz CDYRCJDQLLEUKI-SECBINFHSA-N 0 3 297.359 -1.291 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1nocc1C ZINC001367621010 887413515 /nfs/dbraw/zinc/41/35/15/887413515.db2.gz ORQOSTQUAFWWKE-RKDXNWHRSA-N 0 3 284.316 -1.202 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1ccc[nH]1)C(N)=O ZINC001367633270 887415085 /nfs/dbraw/zinc/41/50/85/887415085.db2.gz XNNOJOFPKGNSQK-WDEREUQCSA-N 0 3 282.344 -1.112 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001367645492 887415174 /nfs/dbraw/zinc/41/51/74/887415174.db2.gz BEPHRORVRPAJMK-CBAPKCEASA-N 0 3 288.348 -2.158 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1CC2(C1)CCOCC2 ZINC001367627381 887415245 /nfs/dbraw/zinc/41/52/45/887415245.db2.gz VDAGSGSHMWGPJJ-LLVKDONJSA-N 0 3 299.371 -1.255 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001367638558 887415332 /nfs/dbraw/zinc/41/53/32/887415332.db2.gz GPFMLSXVOBBKNU-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)Cn1cncn1 ZINC001367628329 887415352 /nfs/dbraw/zinc/41/53/52/887415352.db2.gz FJCSBVSXUJWDJA-NSHDSACASA-N 0 3 293.331 -1.722 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1nonc1C ZINC001367631818 887415708 /nfs/dbraw/zinc/41/57/08/887415708.db2.gz ZFWHPWCNKNEKFW-VIFPVBQESA-N 0 3 299.331 -1.463 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001367645852 887415860 /nfs/dbraw/zinc/41/58/60/887415860.db2.gz GKWSMKNHUCTWGO-BDAKNGLRSA-N 0 3 283.332 -2.006 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001367644384 887415890 /nfs/dbraw/zinc/41/58/90/887415890.db2.gz LLBWKLBCWNRYGO-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CNCC(N)=O)c(C)n1 ZINC001367645369 887416053 /nfs/dbraw/zinc/41/60/53/887416053.db2.gz ANPKXNODHPXFGV-SECBINFHSA-N 0 3 281.316 -1.741 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnn2cc[nH]c12 ZINC001367629805 887416331 /nfs/dbraw/zinc/41/63/31/887416331.db2.gz XKDVHEUMJHLKBZ-SSDOTTSWSA-N 0 3 280.288 -2.172 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001367636610 887416454 /nfs/dbraw/zinc/41/64/54/887416454.db2.gz COBOAKIICSCWAJ-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)Cc1ccc[nH]1)NC1CC1 ZINC001367626469 887416750 /nfs/dbraw/zinc/41/67/50/887416750.db2.gz FWSFILWZTPZDOQ-GFCCVEGCSA-N 0 3 294.355 -1.098 20 0 CAADHN Cc1nccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001367631862 887416882 /nfs/dbraw/zinc/41/68/82/887416882.db2.gz QDZUAXGXXCYRTL-IONNQARKSA-N 0 3 281.316 -1.661 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)c1cnn(C)c1N ZINC001367666588 887418517 /nfs/dbraw/zinc/41/85/17/887418517.db2.gz QCWNOBYJENJKAY-MRVPVSSYSA-N 0 3 294.359 -1.011 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CNCC(N)=O)CCOCC1 ZINC001367648460 887418553 /nfs/dbraw/zinc/41/85/53/887418553.db2.gz BSVGLOWQSMXQAB-VIFPVBQESA-N 0 3 273.333 -1.645 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnc(C)nc1C ZINC001367651391 887418633 /nfs/dbraw/zinc/41/86/33/887418633.db2.gz DGRAZDQIRUQNLL-JTQLQIEISA-N 0 3 295.343 -1.480 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@@H](C)OC ZINC001367655904 887418756 /nfs/dbraw/zinc/41/87/56/887418756.db2.gz AMIJMIWVYPTELR-HRDYMLBCSA-N 0 3 288.348 -1.040 20 0 CAADHN Cc1nccnc1CNC[C@@H](O)CNC(=O)c1nnc[nH]1 ZINC001367663888 887418796 /nfs/dbraw/zinc/41/87/96/887418796.db2.gz NBRVRWZVJDQUQE-SECBINFHSA-N 0 3 291.315 -1.216 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001367667206 887419940 /nfs/dbraw/zinc/41/99/40/887419940.db2.gz XUWAMISBIHQIAI-CSMHCCOUSA-N 0 3 273.337 -1.728 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnc(C)nc1C ZINC001367651430 887420149 /nfs/dbraw/zinc/42/01/49/887420149.db2.gz DGRAZDQIRUQNLL-SNVBAGLBSA-N 0 3 295.343 -1.480 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001367657539 887420251 /nfs/dbraw/zinc/42/02/51/887420251.db2.gz RQPPWSUGHNMXKE-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001367669155 887420364 /nfs/dbraw/zinc/42/03/64/887420364.db2.gz VHHMCFWCYPBTER-GMSGAONNSA-N 0 3 297.359 -1.318 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@@H](C)OC ZINC001367655909 887420755 /nfs/dbraw/zinc/42/07/55/887420755.db2.gz AMIJMIWVYPTELR-IWSPIJDZSA-N 0 3 288.348 -1.040 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)CC(C)(C)O ZINC001367667688 887421118 /nfs/dbraw/zinc/42/11/18/887421118.db2.gz FICHTEKMQUSFTA-HTQZYQBOSA-N 0 3 288.348 -1.175 20 0 CAADHN CC1(C(=O)NC[C@H](O)CNCC(N)=O)CCOCC1 ZINC001367648457 887420995 /nfs/dbraw/zinc/42/09/95/887420995.db2.gz BSVGLOWQSMXQAB-SECBINFHSA-N 0 3 273.333 -1.645 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1cn(C)nn1 ZINC001367670986 887421082 /nfs/dbraw/zinc/42/10/82/887421082.db2.gz BZTARQHWSASOBK-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001367650602 887421090 /nfs/dbraw/zinc/42/10/90/887421090.db2.gz XCZDLVVRWZPVQO-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001367694806 887422271 /nfs/dbraw/zinc/42/22/71/887422271.db2.gz WXHFJPJKUULWAL-NXEZZACHSA-N 0 3 299.375 -2.353 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CCn1cnnn1)C(N)=O ZINC001367703716 887422641 /nfs/dbraw/zinc/42/26/41/887422641.db2.gz NZTAMEVACUCFEI-RKDXNWHRSA-N 0 3 283.336 -1.579 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1c[nH]c(=O)n1C ZINC001367691296 887422694 /nfs/dbraw/zinc/42/26/94/887422694.db2.gz CXGQLAIOKZYRHZ-HTQZYQBOSA-N 0 3 281.316 -1.278 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001367703054 887422849 /nfs/dbraw/zinc/42/28/49/887422849.db2.gz NTDBDNKWBFLOOA-SSDOTTSWSA-N 0 3 292.299 -1.372 20 0 CAADHN C[C@H](CNCc1cncn1C)NC(=O)Cn1ncnn1 ZINC001367677384 887422959 /nfs/dbraw/zinc/42/29/59/887422959.db2.gz QXYHTPRFMHNEGJ-SECBINFHSA-N 0 3 278.320 -1.299 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H](C)CC(N)=O ZINC001367694046 887423023 /nfs/dbraw/zinc/42/30/23/887423023.db2.gz QPUSSCSZLVMVPZ-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cnc2n1CCOC2 ZINC001367674200 887423176 /nfs/dbraw/zinc/42/31/76/887423176.db2.gz GEKPARLBLZWDGB-MRVPVSSYSA-N 0 3 281.316 -1.394 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001367698158 887423354 /nfs/dbraw/zinc/42/33/54/887423354.db2.gz MFIFFXFOTALQDO-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001367685370 887423396 /nfs/dbraw/zinc/42/33/96/887423396.db2.gz SEIYLRJHUXISLY-KOLCDFICSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccc(C(N)=O)o1 ZINC001367681583 887423629 /nfs/dbraw/zinc/42/36/29/887423629.db2.gz DRSYNBDCSLTDCB-SSDOTTSWSA-N 0 3 282.300 -1.168 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001367675978 887423952 /nfs/dbraw/zinc/42/39/52/887423952.db2.gz MHIWGGZHKLJSKA-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001367686429 887423991 /nfs/dbraw/zinc/42/39/91/887423991.db2.gz ZABNGULVPKUXJF-RKDXNWHRSA-N 0 3 291.373 -1.609 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCn1cnccc1=O ZINC001367708894 887424093 /nfs/dbraw/zinc/42/40/93/887424093.db2.gz UVTKYUKOJKJLFG-NXEZZACHSA-N 0 3 295.343 -1.399 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001367694225 887424172 /nfs/dbraw/zinc/42/41/72/887424172.db2.gz CCSPZPPGOAXQKI-HTQZYQBOSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@]1(F)CCOC1 ZINC001367690379 887424386 /nfs/dbraw/zinc/42/43/86/887424386.db2.gz YAFVKSRKCPOUGF-RDDDGLTNSA-N 0 3 290.295 -1.596 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@]1(F)CCOC1 ZINC001367690375 887424454 /nfs/dbraw/zinc/42/44/54/887424454.db2.gz YAFVKSRKCPOUGF-HQJQHLMTSA-N 0 3 290.295 -1.596 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001367694248 887424470 /nfs/dbraw/zinc/42/44/70/887424470.db2.gz DAVSEOSRXAAXNA-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001367675276 887424549 /nfs/dbraw/zinc/42/45/49/887424549.db2.gz KHTMMPQUPJVKIQ-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)CCNC(N)=O ZINC001367710743 887425867 /nfs/dbraw/zinc/42/58/67/887425867.db2.gz FRJOUBPXDAURCL-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CC(C)(C)O)C(=O)NC(N)=O ZINC001367726982 887426584 /nfs/dbraw/zinc/42/65/84/887426584.db2.gz FICHTEKMQUSFTA-JGVFFNPUSA-N 0 3 288.348 -1.175 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1COC(=O)N1 ZINC001367728825 887426942 /nfs/dbraw/zinc/42/69/42/887426942.db2.gz ZSGDBJSNZZITCE-WPRPVWTQSA-N 0 3 298.343 -1.190 20 0 CAADHN COCC(=O)N[C@@H](C)CNCC(=O)NC[C@H]1CCOC1 ZINC001367722316 887426963 /nfs/dbraw/zinc/42/69/63/887426963.db2.gz SQLWOZSPRVTJTN-WDEREUQCSA-N 0 3 287.360 -1.120 20 0 CAADHN C[C@H](CN[C@H]1CCCN(C)C1=O)NC(=O)CCNC(N)=O ZINC001367710746 887427067 /nfs/dbraw/zinc/42/70/67/887427067.db2.gz FRJOUBPXDAURCL-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1nccnc1C(N)=O ZINC001367712819 887427151 /nfs/dbraw/zinc/42/71/51/887427151.db2.gz SURKPVJZSGMTCM-SSDOTTSWSA-N 0 3 294.315 -1.971 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCOC1 ZINC001367727415 887427173 /nfs/dbraw/zinc/42/71/73/887427173.db2.gz HNJPNFLOEBUJRK-JGVFFNPUSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCn1ccnn1 ZINC001367728302 887427252 /nfs/dbraw/zinc/42/72/52/887427252.db2.gz JVXZCEJPQNPPHY-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001367714255 887427268 /nfs/dbraw/zinc/42/72/68/887427268.db2.gz BDFGEAXWMLUPGQ-UTLUCORTSA-N 0 3 299.375 -1.242 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001367715597 887427288 /nfs/dbraw/zinc/42/72/88/887427288.db2.gz JECDYWSAWHFOJJ-SFYZADRCSA-N 0 3 292.361 -2.482 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001367720120 887427307 /nfs/dbraw/zinc/42/73/07/887427307.db2.gz PHJMKVPBADOWLB-JGVFFNPUSA-N 0 3 298.347 -1.773 20 0 CAADHN CC[C@@H](C(=O)N[C@H](C)CNCC(N)=O)N1CCCC1=O ZINC001367714711 887427334 /nfs/dbraw/zinc/42/73/34/887427334.db2.gz GFXJLLIHGMBWIJ-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCOC1 ZINC001367727417 887427415 /nfs/dbraw/zinc/42/74/15/887427415.db2.gz HNJPNFLOEBUJRK-YUMQZZPRSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001367714254 887427433 /nfs/dbraw/zinc/42/74/33/887427433.db2.gz BDFGEAXWMLUPGQ-BBBLOLIVSA-N 0 3 299.375 -1.242 20 0 CAADHN CC(=O)N[C@@H](C)CNCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001367723244 887427720 /nfs/dbraw/zinc/42/77/20/887427720.db2.gz MVUNPZQXOCGGMQ-GXSJLCMTSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)CN1CCOCC1 ZINC001367728112 887427784 /nfs/dbraw/zinc/42/77/84/887427784.db2.gz MAZQWOLIZHNREO-NSHDSACASA-N 0 3 298.387 -1.309 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)Cn1cnnn1 ZINC001367723836 887428129 /nfs/dbraw/zinc/42/81/29/887428129.db2.gz LFCGVUGIGQBYNG-IUCAKERBSA-N 0 3 283.336 -1.756 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CNC(=O)OC ZINC001367722093 887428292 /nfs/dbraw/zinc/42/82/92/887428292.db2.gz QFYAFXCYOWFNBS-YUMQZZPRSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cn1cnnn1)C(=O)N(C)C ZINC001367723835 887428560 /nfs/dbraw/zinc/42/85/60/887428560.db2.gz LFCGVUGIGQBYNG-DTWKUNHWSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O)C(N)=O ZINC001367771457 887430044 /nfs/dbraw/zinc/43/00/44/887430044.db2.gz IMYZADKOVBQAGN-NKWVEPMBSA-N 0 3 297.315 -1.932 20 0 CAADHN Cc1nonc1CC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001367764414 887430186 /nfs/dbraw/zinc/43/01/86/887430186.db2.gz SSMARKMEQSLSBF-CBAPKCEASA-N 0 3 281.316 -1.097 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001367750893 887430353 /nfs/dbraw/zinc/43/03/53/887430353.db2.gz URMYUTIZKYDDQZ-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CCC(=O)N1C ZINC001367751371 887430376 /nfs/dbraw/zinc/43/03/76/887430376.db2.gz VDPDORCCENUWNQ-GXSJLCMTSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001367771456 887430416 /nfs/dbraw/zinc/43/04/16/887430416.db2.gz IMYZADKOVBQAGN-BQBZGAKWSA-N 0 3 297.315 -1.932 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001367749085 887430490 /nfs/dbraw/zinc/43/04/90/887430490.db2.gz JYQAJLBZLIHBPE-WCBMZHEXSA-N 0 3 297.359 -1.617 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cnco1 ZINC001367752910 887430823 /nfs/dbraw/zinc/43/08/23/887430823.db2.gz OQQTYDBXDRUBDL-ZETCQYMHSA-N 0 3 283.288 -1.162 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccoc1CC(N)=O ZINC001367755149 887430857 /nfs/dbraw/zinc/43/08/57/887430857.db2.gz SQCCVOQJYXJREQ-QMMMGPOBSA-N 0 3 296.327 -1.239 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001367753335 887430870 /nfs/dbraw/zinc/43/08/70/887430870.db2.gz HVTKTGFDWPRLGF-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001367768213 887430970 /nfs/dbraw/zinc/43/09/70/887430970.db2.gz RQQZRSZKWRFJDM-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CNCc1ccnn1C ZINC001367739440 887431146 /nfs/dbraw/zinc/43/11/46/887431146.db2.gz VBIKQYFVIISUQY-VIFPVBQESA-N 0 3 282.348 -1.057 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1cccnn1 ZINC001367763841 887431227 /nfs/dbraw/zinc/43/12/27/887431227.db2.gz SINKTUYTORTAGK-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)Cn1cncn1 ZINC001367771307 887431381 /nfs/dbraw/zinc/43/13/81/887431381.db2.gz RQKMTWDNZJFVEC-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001367773271 887431398 /nfs/dbraw/zinc/43/13/98/887431398.db2.gz IUWCCMJWTZKNJV-VHSXEESVSA-N 0 3 296.375 -1.024 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001367771425 887431439 /nfs/dbraw/zinc/43/14/39/887431439.db2.gz NMLOLHWOCVMSSW-BQBZGAKWSA-N 0 3 280.350 -2.496 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CC1(O)CCC1 ZINC001367752333 887431482 /nfs/dbraw/zinc/43/14/82/887431482.db2.gz PKSMLIVTOWREFL-QMMMGPOBSA-N 0 3 286.332 -1.419 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001367740280 887431858 /nfs/dbraw/zinc/43/18/58/887431858.db2.gz SRYCONHYAGCFFA-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001367770070 887431964 /nfs/dbraw/zinc/43/19/64/887431964.db2.gz BMUJUFCTRIVQSZ-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1cn(C)c(=O)n1C ZINC001367738661 887432118 /nfs/dbraw/zinc/43/21/18/887432118.db2.gz RQAQWCVAKQPUGR-SECBINFHSA-N 0 3 297.359 -1.480 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)Cn1cncn1 ZINC001367770669 887432307 /nfs/dbraw/zinc/43/23/07/887432307.db2.gz OVQGMZHTJZMMJN-VHSXEESVSA-N 0 3 280.332 -1.397 20 0 CAADHN Cc1cnoc1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001367765485 887432607 /nfs/dbraw/zinc/43/26/07/887432607.db2.gz XLJOUKGSFNOYIM-ZETCQYMHSA-N 0 3 283.288 -1.114 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001367737227 887432638 /nfs/dbraw/zinc/43/26/38/887432638.db2.gz JDJLAKDENUZKDL-DTWKUNHWSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001367825434 887433846 /nfs/dbraw/zinc/43/38/46/887433846.db2.gz MNJUHTRHEJTKOY-KOLCDFICSA-N 0 3 295.343 -1.206 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001367807875 887433981 /nfs/dbraw/zinc/43/39/81/887433981.db2.gz YBJZYYPLMIBSDU-SNVBAGLBSA-N 0 3 298.343 -2.024 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1COC(=O)N1 ZINC001367811852 887435209 /nfs/dbraw/zinc/43/52/09/887435209.db2.gz XVTYQGDTIXRDRA-ZJUUUORDSA-N 0 3 296.331 -1.177 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001367836806 887435323 /nfs/dbraw/zinc/43/53/23/887435323.db2.gz QRIZVYGOJAPZEL-NXEZZACHSA-N 0 3 298.343 -1.173 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CCn1ncn(C)c1=O ZINC001367824280 887435417 /nfs/dbraw/zinc/43/54/17/887435417.db2.gz SQNCXWFRIXUXGX-JTQLQIEISA-N 0 3 285.348 -1.599 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CN1CCOCC1=O ZINC001367807365 887435765 /nfs/dbraw/zinc/43/57/65/887435765.db2.gz VVTKECYEXWXGFR-JTQLQIEISA-N 0 3 273.333 -1.726 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001367790746 887436003 /nfs/dbraw/zinc/43/60/03/887436003.db2.gz VFOXZGLNKYVXGC-PWSUYJOCSA-N 0 3 289.376 -1.092 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001367836813 887436109 /nfs/dbraw/zinc/43/61/09/887436109.db2.gz QRIZVYGOJAPZEL-VHSXEESVSA-N 0 3 298.343 -1.173 20 0 CAADHN C[C@H](NC[C@H](NC(=O)c1ncn(C)n1)C1CC1)C(N)=O ZINC001367882549 887437770 /nfs/dbraw/zinc/43/77/70/887437770.db2.gz AIXBDJAMWSKURO-CBAPKCEASA-N 0 3 280.332 -1.213 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001367894063 887437887 /nfs/dbraw/zinc/43/78/87/887437887.db2.gz FXZXOPCWZPRXDZ-NXEZZACHSA-N 0 3 297.359 -1.712 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CN1CCCC1=O)C1CC1 ZINC001367881428 887438117 /nfs/dbraw/zinc/43/81/17/887438117.db2.gz BTJYEPGBPXCIMB-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)Cn1cncn1)C1CC1 ZINC001367918721 887438335 /nfs/dbraw/zinc/43/83/35/887438335.db2.gz OCEVJMPUVPCMOW-SNVBAGLBSA-N 0 3 280.332 -1.492 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001367922752 887438440 /nfs/dbraw/zinc/43/84/40/887438440.db2.gz PUCGKNCYNTXWOW-WDEREUQCSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CN(C)C(C)=O)C1CC1 ZINC001367897521 887438451 /nfs/dbraw/zinc/43/84/51/887438451.db2.gz WTGLEPMNTLOZGY-LLVKDONJSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CN[C@@H](C)C(=O)NC)C1CC1 ZINC001367893153 887438585 /nfs/dbraw/zinc/43/85/85/887438585.db2.gz CWLKKWKAHLEGES-WPRPVWTQSA-N 0 3 299.375 -1.466 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H](CNCC(=O)N(C)C)C1CC1 ZINC001367887109 887438636 /nfs/dbraw/zinc/43/86/36/887438636.db2.gz NMCSIERSZNCDDR-WPRPVWTQSA-N 0 3 299.375 -1.384 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)c1ncn(C)n1)C1CC1)C(N)=O ZINC001367882543 887438668 /nfs/dbraw/zinc/43/86/68/887438668.db2.gz AIXBDJAMWSKURO-APPZFPTMSA-N 0 3 280.332 -1.213 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1CCNC(=O)CC1)C1CC1 ZINC001367903001 887438674 /nfs/dbraw/zinc/43/86/74/887438674.db2.gz PUNKONCSQKEYKB-MNOVXSKESA-N 0 3 296.371 -1.128 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001367894094 887438809 /nfs/dbraw/zinc/43/88/09/887438809.db2.gz FXZXOPCWZPRXDZ-ZJUUUORDSA-N 0 3 297.359 -1.712 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001367914380 887439034 /nfs/dbraw/zinc/43/90/34/887439034.db2.gz IUUHNMNAPXJYMH-GHMZBOCLSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)[C@H](C)NC1(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001367988324 887444090 /nfs/dbraw/zinc/44/40/90/887444090.db2.gz BNAVTBYRFPSGIF-QWRGUYRKSA-N 0 3 298.387 -1.310 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@H]2CN(C)CCO2)CC1)C(N)=O ZINC001367992304 887444498 /nfs/dbraw/zinc/44/44/98/887444498.db2.gz WWSGVVOOSBCXTP-WDEREUQCSA-N 0 3 298.387 -1.181 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@@H]2CN(C)CCO2)CC1)C(N)=O ZINC001367992303 887444748 /nfs/dbraw/zinc/44/47/48/887444748.db2.gz WWSGVVOOSBCXTP-QWRGUYRKSA-N 0 3 298.387 -1.181 20 0 CAADHN CNC(=O)[C@@H](C)NC1(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001367988322 887445551 /nfs/dbraw/zinc/44/55/51/887445551.db2.gz BNAVTBYRFPSGIF-MNOVXSKESA-N 0 3 298.387 -1.310 20 0 CAADHN O=C(NCC1(N[C@H]2CCNC2=O)CC1)c1cnc[nH]c1=O ZINC001368005108 887448337 /nfs/dbraw/zinc/44/83/37/887448337.db2.gz IGTBSBFPRJTZRD-VIFPVBQESA-N 0 3 291.311 -1.077 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCC2(N[C@H](C)C(N)=O)CC2)C1 ZINC001368045999 887449472 /nfs/dbraw/zinc/44/94/72/887449472.db2.gz ISYLJLVQIQLCOJ-GHMZBOCLSA-N 0 3 298.387 -1.181 20 0 CAADHN CCN1CCO[C@H](C(=O)NCC2(N[C@@H](C)C(N)=O)CC2)C1 ZINC001368046003 887450891 /nfs/dbraw/zinc/45/08/91/887450891.db2.gz ISYLJLVQIQLCOJ-QWRGUYRKSA-N 0 3 298.387 -1.181 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N[C@@H]1COC[C@H]1O ZINC001368154854 887452195 /nfs/dbraw/zinc/45/21/95/887452195.db2.gz PZVIXCOLTHHPSX-WRWGMCAJSA-N 0 3 285.344 -1.092 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001368113860 887452620 /nfs/dbraw/zinc/45/26/20/887452620.db2.gz FCXUCFXCKVFQEW-SECBINFHSA-N 0 3 291.373 -1.513 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@H]2CNCC(N)=O)[nH]c1=O ZINC001368106541 887452768 /nfs/dbraw/zinc/45/27/68/887452768.db2.gz IBWPOZAPJOYMIU-QMMMGPOBSA-N 0 3 281.316 -1.195 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1COC[C@H]1O ZINC001368154839 887453805 /nfs/dbraw/zinc/45/38/05/887453805.db2.gz PZVIXCOLTHHPSX-DDHJBXDOSA-N 0 3 285.344 -1.092 20 0 CAADHN Cn1cc(CCC(=O)N2CCC[C@H]2CNCC(N)=O)nn1 ZINC001368122147 887453829 /nfs/dbraw/zinc/45/38/29/887453829.db2.gz RKJYKHIMPKRBBS-NSHDSACASA-N 0 3 294.359 -1.186 20 0 CAADHN C[C@]1(NC(=O)CN2CCOCC2=O)CCN(CCO)C1 ZINC001368149534 887453894 /nfs/dbraw/zinc/45/38/94/887453894.db2.gz DZGNEDDBUHHLBF-ZDUSSCGKSA-N 0 3 285.344 -1.582 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001368103299 887453980 /nfs/dbraw/zinc/45/39/80/887453980.db2.gz ADNVIQQRGSMOEW-VWYCJHECSA-N 0 3 296.371 -1.046 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001368107823 887454160 /nfs/dbraw/zinc/45/41/60/887454160.db2.gz IFNUKHZEDDYERF-IUCAKERBSA-N 0 3 270.333 -1.436 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001368113861 887454295 /nfs/dbraw/zinc/45/42/95/887454295.db2.gz FCXUCFXCKVFQEW-VIFPVBQESA-N 0 3 291.373 -1.513 20 0 CAADHN NC(=O)NCCC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001368112378 887454488 /nfs/dbraw/zinc/45/44/88/887454488.db2.gz AZYXAEJEDQDLCU-VHSXEESVSA-N 0 3 297.359 -1.486 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001368151976 887454905 /nfs/dbraw/zinc/45/49/05/887454905.db2.gz KGRZDSYKJPCBDC-ZDUSSCGKSA-N 0 3 287.360 -1.336 20 0 CAADHN CO[C@@H](C)C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001368221587 887458288 /nfs/dbraw/zinc/45/82/88/887458288.db2.gz GWWZOOHYMOIYKD-VIFPVBQESA-N 0 3 273.333 -1.238 20 0 CAADHN O=C(COCC1CC1)NC[C@@]1(O)CCN(CCO)C1 ZINC001368238757 887458793 /nfs/dbraw/zinc/45/87/93/887458793.db2.gz JJEKOIPWBMEVDF-ZDUSSCGKSA-N 0 3 272.345 -1.042 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001368251478 887460501 /nfs/dbraw/zinc/46/05/01/887460501.db2.gz KJSQEWOMGJHXCD-BXUZGUMPSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@@H]1CCNC(=O)CC1 ZINC001368249923 887460635 /nfs/dbraw/zinc/46/06/35/887460635.db2.gz NOAIDOLFJYBEMO-SMDDNHRTSA-N 0 3 299.371 -1.552 20 0 CAADHN O=C(CN1CCOCC1)NC[C@]1(O)CCN(CCO)C1 ZINC001368252747 887460695 /nfs/dbraw/zinc/46/06/95/887460695.db2.gz LYBZGGXBWMHVHQ-CYBMUJFWSA-N 0 3 287.360 -2.136 20 0 CAADHN O=C(CN1CCOCC1)NC[C@@]1(O)CCN(CCO)C1 ZINC001368252748 887460941 /nfs/dbraw/zinc/46/09/41/887460941.db2.gz LYBZGGXBWMHVHQ-ZDUSSCGKSA-N 0 3 287.360 -2.136 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)C1CCOCC1 ZINC001368254909 887461058 /nfs/dbraw/zinc/46/10/58/887461058.db2.gz KVLZJUXIKKAZCZ-ZDUSSCGKSA-N 0 3 272.345 -1.042 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001368262328 887461567 /nfs/dbraw/zinc/46/15/67/887461567.db2.gz GNXPFTYZKDNCIC-FZMZJTMJSA-N 0 3 299.371 -1.193 20 0 CAADHN Cn1ccc(CCC(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001368246916 887461760 /nfs/dbraw/zinc/46/17/60/887461760.db2.gz FIYAOSSEWRKTLZ-CQSZACIVSA-N 0 3 296.371 -1.102 20 0 CAADHN Cn1ccc(CCC(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001368246914 887462169 /nfs/dbraw/zinc/46/21/69/887462169.db2.gz FIYAOSSEWRKTLZ-AWEZNQCLSA-N 0 3 296.371 -1.102 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001368251483 887462852 /nfs/dbraw/zinc/46/28/52/887462852.db2.gz KJSQEWOMGJHXCD-FZMZJTMJSA-N 0 3 299.371 -1.288 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001368251486 887462986 /nfs/dbraw/zinc/46/29/86/887462986.db2.gz KJSQEWOMGJHXCD-RISCZKNCSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@H]1CCNC(=O)CC1 ZINC001368249903 887463769 /nfs/dbraw/zinc/46/37/69/887463769.db2.gz NOAIDOLFJYBEMO-BXUZGUMPSA-N 0 3 299.371 -1.552 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)C1CCOCC1 ZINC001368254906 887463791 /nfs/dbraw/zinc/46/37/91/887463791.db2.gz KVLZJUXIKKAZCZ-CYBMUJFWSA-N 0 3 272.345 -1.042 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@H]1CCC(=O)NC1 ZINC001368264058 887465799 /nfs/dbraw/zinc/46/57/99/887465799.db2.gz RJWSRIJCOFVQQM-GWCFXTLKSA-N 0 3 285.344 -1.942 20 0 CAADHN C[C@@]1(C(=O)NC[C@@]2(O)CCN(CCO)C2)CCC(=O)NC1 ZINC001368266996 887466475 /nfs/dbraw/zinc/46/64/75/887466475.db2.gz OHVJJCAHAGLHEB-KGLIPLIRSA-N 0 3 299.371 -1.552 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2cnon2)C1 ZINC001368276298 887467062 /nfs/dbraw/zinc/46/70/62/887467062.db2.gz WDSWAKFPUNRIQY-NSHDSACASA-N 0 3 270.289 -1.117 20 0 CAADHN COC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001368275585 887467260 /nfs/dbraw/zinc/46/72/60/887467260.db2.gz GXMNNMHRLXSHSE-GWCFXTLKSA-N 0 3 297.359 -1.065 20 0 CAADHN COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001368275585 887467265 /nfs/dbraw/zinc/46/72/65/887467265.db2.gz GXMNNMHRLXSHSE-GWCFXTLKSA-N 0 3 297.359 -1.065 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@@H]1CCC(=O)NC1 ZINC001368264067 887467311 /nfs/dbraw/zinc/46/73/11/887467311.db2.gz RJWSRIJCOFVQQM-ZWNOBZJWSA-N 0 3 285.344 -1.942 20 0 CAADHN Cn1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)n(C)c1=O ZINC001368279115 887467434 /nfs/dbraw/zinc/46/74/34/887467434.db2.gz YBEIYKIHNWDFRL-CYBMUJFWSA-N 0 3 298.343 -2.117 20 0 CAADHN Cn1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)n(C)c1=O ZINC001368279116 887467645 /nfs/dbraw/zinc/46/76/45/887467645.db2.gz YBEIYKIHNWDFRL-ZDUSSCGKSA-N 0 3 298.343 -2.117 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)C[C@H]1C ZINC001368269399 887467926 /nfs/dbraw/zinc/46/79/26/887467926.db2.gz NIWHKHNMUBFONC-IWSPIJDZSA-N 0 3 283.332 -2.150 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@](O)(CNC(=O)Cc2nnc[nH]2)C1 ZINC001368281978 887469914 /nfs/dbraw/zinc/46/99/14/887469914.db2.gz RXNJIYAVOPZFMJ-QPUJVOFHSA-N 0 3 296.331 -2.226 20 0 CAADHN C[C@@H](O)CCCN1CC(O)(CNC(=O)c2nnc[nH]2)C1 ZINC001368316320 887476697 /nfs/dbraw/zinc/47/66/97/887476697.db2.gz ZKRBQIFKICKKDL-SECBINFHSA-N 0 3 283.332 -1.258 20 0 CAADHN C[C@@H](O)CN1CCC[C@](CO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001368369743 887480111 /nfs/dbraw/zinc/48/01/11/887480111.db2.gz ANXJKDGYZPCQBU-MFKMUULPSA-N 0 3 297.359 -1.329 20 0 CAADHN C[C@@H](O)CN1CCC[C@@](CO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001368369753 887482849 /nfs/dbraw/zinc/48/28/49/887482849.db2.gz ANXJKDGYZPCQBU-ZWNOBZJWSA-N 0 3 297.359 -1.329 20 0 CAADHN Cc1nocc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001368395326 887482915 /nfs/dbraw/zinc/48/29/15/887482915.db2.gz JDTIFTNLVQPJDK-LLVKDONJSA-N 0 3 296.327 -1.104 20 0 CAADHN Cc1cn(C)nc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001368389384 887483032 /nfs/dbraw/zinc/48/30/32/887483032.db2.gz BHMOGFGQWWNISY-JTQLQIEISA-N 0 3 297.359 -1.374 20 0 CAADHN Cc1nocc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001368395327 887483214 /nfs/dbraw/zinc/48/32/14/887483214.db2.gz JDTIFTNLVQPJDK-NSHDSACASA-N 0 3 296.327 -1.104 20 0 CAADHN Cc1conc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001368394026 887483403 /nfs/dbraw/zinc/48/34/03/887483403.db2.gz GHNZPUSTJGZLDF-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1ncccn1)C(N)=O ZINC001368397041 887483514 /nfs/dbraw/zinc/48/35/14/887483514.db2.gz LQYGFVZEBVYXJV-SNVBAGLBSA-N 0 3 295.343 -1.235 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H]1CC1(F)F)C(N)=O ZINC001368395993 887484200 /nfs/dbraw/zinc/48/42/00/887484200.db2.gz UHEFFHFNNKOOMU-HTQZYQBOSA-N 0 3 279.287 -1.074 20 0 CAADHN CC(C)C(=O)N(CCO)CCN[C@H](C)C(=O)NC(N)=O ZINC001368385280 887484678 /nfs/dbraw/zinc/48/46/78/887484678.db2.gz GAFKMVOEDGWLDT-SECBINFHSA-N 0 3 288.348 -1.364 20 0 CAADHN Cc1nonc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001368405356 887486632 /nfs/dbraw/zinc/48/66/32/887486632.db2.gz DQMVQMDYWVOQQE-VIFPVBQESA-N 0 3 297.315 -1.709 20 0 CAADHN CCc1nc[nH]c1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001368417937 887486741 /nfs/dbraw/zinc/48/67/41/887486741.db2.gz XHAOCFUDWQDKCR-SECBINFHSA-N 0 3 297.359 -1.130 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001368448767 887487358 /nfs/dbraw/zinc/48/73/58/887487358.db2.gz LNPDOOFHOOHWEM-GHMZBOCLSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cc1ccc[nH]1)C(N)=O ZINC001368403074 887487458 /nfs/dbraw/zinc/48/74/58/887487458.db2.gz BFSVABXCARVRPC-JTQLQIEISA-N 0 3 282.344 -1.159 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CCC(=O)NC1 ZINC001368448786 887487829 /nfs/dbraw/zinc/48/78/29/887487829.db2.gz LNPDOOFHOOHWEM-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN CCNC(=O)CNC1(CNC(=O)CNC(C)=O)CCC1 ZINC001368457394 887487941 /nfs/dbraw/zinc/48/79/41/887487941.db2.gz HPQJTKBWSTZXAH-UHFFFAOYSA-N 0 3 284.360 -1.113 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)Cc2cnoc2)CCO1)C(N)=O ZINC001368504872 887489509 /nfs/dbraw/zinc/48/95/09/887489509.db2.gz LCNPTLKSEWZIPB-GXSJLCMTSA-N 0 3 296.327 -1.092 20 0 CAADHN Cn1cnc(C(=O)NCC2(NCC(N)=O)CCC2)cc1=O ZINC001368474083 887489527 /nfs/dbraw/zinc/48/95/27/887489527.db2.gz GXTAISQVTXYYCD-UHFFFAOYSA-N 0 3 293.327 -1.492 20 0 CAADHN Cc1nc[nH]c1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001368517488 887490112 /nfs/dbraw/zinc/49/01/12/887490112.db2.gz QQJHTFPHIPNKMY-SECBINFHSA-N 0 3 281.316 -1.366 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)CCO1 ZINC001368510158 887490321 /nfs/dbraw/zinc/49/03/21/887490321.db2.gz UOMMXTVRALSWNN-QMMMGPOBSA-N 0 3 295.299 -1.902 20 0 CAADHN COCC(C)(C)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001368524586 887490355 /nfs/dbraw/zinc/49/03/55/887490355.db2.gz XYRFEYAWTQQZFR-SNVBAGLBSA-N 0 3 287.360 -1.039 20 0 CAADHN Cc1nonc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001368524947 887490623 /nfs/dbraw/zinc/49/06/23/887490623.db2.gz ZMVBQEOXVPPFJU-QMMMGPOBSA-N 0 3 283.288 -1.706 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H]1CN(C(=O)CC2CC2)CCO1 ZINC001368502718 887490851 /nfs/dbraw/zinc/49/08/51/887490851.db2.gz OIWRVCJQNNNICK-SNVBAGLBSA-N 0 3 298.343 -1.202 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2ccncn2)CCO1)C(N)=O ZINC001368535574 887490889 /nfs/dbraw/zinc/49/08/89/887490889.db2.gz RJKUYZOEJRWGKB-NXEZZACHSA-N 0 3 293.327 -1.219 20 0 CAADHN CCC(=O)N1CCO[C@H](CN[C@@H](C)C(=O)NC(N)=O)C1 ZINC001368503114 887491220 /nfs/dbraw/zinc/49/12/20/887491220.db2.gz OTIMXINMAUWXSR-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2ccncn2)CCO1)C(N)=O ZINC001368535580 887491051 /nfs/dbraw/zinc/49/10/51/887491051.db2.gz RJKUYZOEJRWGKB-VHSXEESVSA-N 0 3 293.327 -1.219 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001368529209 887491131 /nfs/dbraw/zinc/49/11/31/887491131.db2.gz HDBJMENNMYYKLR-DTWKUNHWSA-N 0 3 297.315 -1.365 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001368513931 887491142 /nfs/dbraw/zinc/49/11/42/887491142.db2.gz ZHTIUPCUKPGAQH-QMMMGPOBSA-N 0 3 297.319 -2.613 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001368531832 887491165 /nfs/dbraw/zinc/49/11/65/887491165.db2.gz IWRZUDOIFXPJIB-BBBLOLIVSA-N 0 3 298.343 -2.329 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2ccncn2)CCO1)C(N)=O ZINC001368535577 887491187 /nfs/dbraw/zinc/49/11/87/887491187.db2.gz RJKUYZOEJRWGKB-UWVGGRQHSA-N 0 3 293.327 -1.219 20 0 CAADHN CCCC(=O)N1CCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001368503227 887491290 /nfs/dbraw/zinc/49/12/90/887491290.db2.gz PNRCVDAYNGKCSS-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001368529195 887491308 /nfs/dbraw/zinc/49/13/08/887491308.db2.gz HDBJMENNMYYKLR-BDAKNGLRSA-N 0 3 297.315 -1.365 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001368536302 887491424 /nfs/dbraw/zinc/49/14/24/887491424.db2.gz UBHCWRGXBBFLCA-HLTSFMKQSA-N 0 3 284.316 -2.590 20 0 CAADHN CCC(=O)NCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001368524550 887491898 /nfs/dbraw/zinc/49/18/98/887491898.db2.gz RFJDUWCDJKHSBQ-VIFPVBQESA-N 0 3 286.332 -2.185 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)COC(C)C)CCO1 ZINC001368523028 887491595 /nfs/dbraw/zinc/49/15/95/887491595.db2.gz PXNLYWNALRTLIZ-LLVKDONJSA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO1 ZINC001368536320 887491667 /nfs/dbraw/zinc/49/16/67/887491667.db2.gz UBHCWRGXBBFLCA-YIZRAAEISA-N 0 3 284.316 -2.590 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2ccncn2)CCO1 ZINC001368539873 887491806 /nfs/dbraw/zinc/49/18/06/887491806.db2.gz YUHDDHRAQPLTES-SNVBAGLBSA-N 0 3 293.327 -1.347 20 0 CAADHN CCCN(C)CC(=O)N1CCOC2(CN(CC(N)=O)C2)C1 ZINC001368581841 887492923 /nfs/dbraw/zinc/49/29/23/887492923.db2.gz CEOZMFWPBMODBE-UHFFFAOYSA-N 0 3 298.387 -1.273 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001368602180 887494035 /nfs/dbraw/zinc/49/40/35/887494035.db2.gz WOYUZVARZYTVOH-NXEZZACHSA-N 0 3 295.343 -1.025 20 0 CAADHN Cc1cn(C)nc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001368578239 887494641 /nfs/dbraw/zinc/49/46/41/887494641.db2.gz JFRJCBAINCZPRW-JTQLQIEISA-N 0 3 295.343 -1.356 20 0 CAADHN C[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H](CNCC(N)=O)C1 ZINC001368669185 887495900 /nfs/dbraw/zinc/49/59/00/887495900.db2.gz SHUQBIABVURBDX-UTLUCORTSA-N 0 3 297.359 -1.630 20 0 CAADHN Cc1cc(C(=O)N2CCC[C@](CO)(NCC(N)=O)C2)n[nH]1 ZINC001368625400 887495951 /nfs/dbraw/zinc/49/59/51/887495951.db2.gz XNKAXCJZJSLXAJ-ZDUSSCGKSA-N 0 3 295.343 -1.240 20 0 CAADHN C[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1NCC(=O)N(C)C ZINC001368662641 887496427 /nfs/dbraw/zinc/49/64/27/887496427.db2.gz MDSZYJAOVISAAH-UWVGGRQHSA-N 0 3 294.359 -1.047 20 0 CAADHN CNC(=O)C[NH2+]CC1(O)CCN(C(=O)c2nc[n-]n2)CC1 ZINC001368694803 887496576 /nfs/dbraw/zinc/49/65/76/887496576.db2.gz YOEYUKSLQQSECZ-UHFFFAOYSA-N 0 3 296.331 -1.893 20 0 CAADHN C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1NCC(=O)NC(N)=O ZINC001368651751 887496727 /nfs/dbraw/zinc/49/67/27/887496727.db2.gz SFVRKXSZEGRCFB-IONNQARKSA-N 0 3 294.315 -1.345 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1C ZINC001368658913 887496787 /nfs/dbraw/zinc/49/67/87/887496787.db2.gz OFECJIADPLBGBV-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN Cn1nccc1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001368679789 887496944 /nfs/dbraw/zinc/49/69/44/887496944.db2.gz XQLDHLJSFGHXLJ-UHFFFAOYSA-N 0 3 295.343 -1.538 20 0 CAADHN C[C@H]1CN(C(=O)CCNC(N)=O)C[C@H]1NCC(=O)N(C)C ZINC001368667643 887497687 /nfs/dbraw/zinc/49/76/87/887497687.db2.gz ONWJFBNIULPBDR-VHSXEESVSA-N 0 3 299.375 -1.431 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@@H]2CCC(=O)N2)CCOCC1 ZINC001368636164 887497825 /nfs/dbraw/zinc/49/78/25/887497825.db2.gz ITHWSFTVGAMLGM-VIFPVBQESA-N 0 3 298.343 -1.995 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2nccnc2N)C[C@@H]1C ZINC001368653544 887497918 /nfs/dbraw/zinc/49/79/18/887497918.db2.gz WSFZFGFYIRIUDR-DTWKUNHWSA-N 0 3 292.343 -1.145 20 0 CAADHN COC[C@H](C)C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001368679882 887498010 /nfs/dbraw/zinc/49/80/10/887498010.db2.gz YXTOUBJHWHJYIQ-JTQLQIEISA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2nccnc2N)C[C@@H]1C ZINC001368653553 887498074 /nfs/dbraw/zinc/49/80/74/887498074.db2.gz WSFZFGFYIRIUDR-IUCAKERBSA-N 0 3 292.343 -1.145 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001368642319 887498166 /nfs/dbraw/zinc/49/81/66/887498166.db2.gz MZBNKOQYNCCYSJ-HBNTYKKESA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1NCC(=O)NC(N)=O ZINC001368651749 887498335 /nfs/dbraw/zinc/49/83/35/887498335.db2.gz SFVRKXSZEGRCFB-APPZFPTMSA-N 0 3 294.315 -1.345 20 0 CAADHN CN1C[C@@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)CC1=O ZINC001368776039 887500215 /nfs/dbraw/zinc/50/02/15/887500215.db2.gz WQKXBZVTXAHMHX-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@@H]1CCC(=O)NC1 ZINC001368764791 887500296 /nfs/dbraw/zinc/50/02/96/887500296.db2.gz KPKVLCAATJIFJI-LLVKDONJSA-N 0 3 299.371 -1.552 20 0 CAADHN Cn1ccc(CC(=O)NC2(CO)CCN(CCO)CC2)n1 ZINC001368762788 887500318 /nfs/dbraw/zinc/50/03/18/887500318.db2.gz ULAOWMVSSLSJNX-UHFFFAOYSA-N 0 3 296.371 -1.102 20 0 CAADHN O=C(Cc1cc[nH]n1)NC1(CO)CCN(CCO)CC1 ZINC001368766161 887500368 /nfs/dbraw/zinc/50/03/68/887500368.db2.gz UEOPNGFLGUFWJR-UHFFFAOYSA-N 0 3 282.344 -1.112 20 0 CAADHN CN1C[C@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)CC1=O ZINC001368776028 887500397 /nfs/dbraw/zinc/50/03/97/887500397.db2.gz WQKXBZVTXAHMHX-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN Cn1ncc(C(=O)NC2(CO)CCN(CCO)CC2)c1N ZINC001368761657 887501818 /nfs/dbraw/zinc/50/18/18/887501818.db2.gz MNKKNWRVSMMRLH-UHFFFAOYSA-N 0 3 297.359 -1.449 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC001368782750 887502377 /nfs/dbraw/zinc/50/23/77/887502377.db2.gz ROWQDKPLGCIMPZ-UTLUCORTSA-N 0 3 298.347 -1.590 20 0 CAADHN CN(CCO)C[C@@H]1CCCN1C(=O)CN1CCNC(=O)C1 ZINC001368790842 887502703 /nfs/dbraw/zinc/50/27/03/887502703.db2.gz ACVFQPHATYSLRM-LBPRGKRZSA-N 0 3 298.387 -1.667 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1ccn(C)n1 ZINC001368910239 887504057 /nfs/dbraw/zinc/50/40/57/887504057.db2.gz KOVMDONMYRTWKA-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1ccn(C)n1 ZINC001368910166 887504216 /nfs/dbraw/zinc/50/42/16/887504216.db2.gz KOVMDONMYRTWKA-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CN(C)C(C)=O ZINC001368848277 887504316 /nfs/dbraw/zinc/50/43/16/887504316.db2.gz LPSVAELFLPYMBJ-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN COCC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCOCC1 ZINC001368826695 887504543 /nfs/dbraw/zinc/50/45/43/887504543.db2.gz YRBVGVAIZKLTTQ-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001368858047 887504580 /nfs/dbraw/zinc/50/45/80/887504580.db2.gz UROOQGXJMNAAOR-DTWKUNHWSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001368900932 887504990 /nfs/dbraw/zinc/50/49/90/887504990.db2.gz DBIBIRLJGYZOMS-BDAKNGLRSA-N 0 3 282.348 -1.284 20 0 CAADHN C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)NCC(N)=O ZINC001368874201 887505456 /nfs/dbraw/zinc/50/54/56/887505456.db2.gz IDYSVGRBAKSMKQ-WDEREUQCSA-N 0 3 286.376 -1.323 20 0 CAADHN COc1c[nH]c(C(=O)N[C@H](C)[C@H](C)NCC(N)=O)cc1=O ZINC001368855333 887505484 /nfs/dbraw/zinc/50/54/84/887505484.db2.gz LGTQGFUTMOGSRN-JGVFFNPUSA-N 0 3 296.327 -1.035 20 0 CAADHN CNC(=O)CCCC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001368848682 887505905 /nfs/dbraw/zinc/50/59/05/887505905.db2.gz UUNSQMVEKHNPDR-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)Cn1cncn1 ZINC001368914429 887505751 /nfs/dbraw/zinc/50/57/51/887505751.db2.gz ZDRJRALOCMUJCY-ZJUUUORDSA-N 0 3 282.348 -1.151 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001368866235 887505785 /nfs/dbraw/zinc/50/57/85/887505785.db2.gz IPXRTSCHALTYAF-RKDXNWHRSA-N 0 3 285.348 -2.614 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001368862920 887505808 /nfs/dbraw/zinc/50/58/08/887505808.db2.gz ODCWPQOJKFDSDD-VHSXEESVSA-N 0 3 297.363 -1.320 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)c1cn(C)nn1 ZINC001368866680 887505879 /nfs/dbraw/zinc/50/58/79/887505879.db2.gz OQVKIBQYIFBZHK-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)NCC(N)=O ZINC001368899259 887506147 /nfs/dbraw/zinc/50/61/47/887506147.db2.gz RZEKAZCBQNHZMV-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN COc1c[nH]c(C(=O)N[C@@H](C)[C@@H](C)NCC(N)=O)cc1=O ZINC001368855334 887506379 /nfs/dbraw/zinc/50/63/79/887506379.db2.gz LGTQGFUTMOGSRN-SFYZADRCSA-N 0 3 296.327 -1.035 20 0 CAADHN COCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N1CCOCC1 ZINC001368826691 887506888 /nfs/dbraw/zinc/50/68/88/887506888.db2.gz YRBVGVAIZKLTTQ-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CCOCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC(N)=O ZINC001368839621 887507105 /nfs/dbraw/zinc/50/71/05/887507105.db2.gz UWNZSXPHMNKRCB-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001368862928 887507562 /nfs/dbraw/zinc/50/75/62/887507562.db2.gz ODCWPQOJKFDSDD-ZJUUUORDSA-N 0 3 297.363 -1.320 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)N(C)CCn1cncn1 ZINC001368944535 887509678 /nfs/dbraw/zinc/50/96/78/887509678.db2.gz XWOWSQJDXKKBAZ-JTQLQIEISA-N 0 3 293.335 -1.599 20 0 CAADHN C[C@H](CNC(=O)Cn1ncnn1)N(C)CCn1cncn1 ZINC001368944536 887509985 /nfs/dbraw/zinc/50/99/85/887509985.db2.gz XWOWSQJDXKKBAZ-SNVBAGLBSA-N 0 3 293.335 -1.599 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001368926951 887510033 /nfs/dbraw/zinc/51/00/33/887510033.db2.gz CJXSCCGDGJOPEK-OUAUKWLOSA-N 0 3 287.360 -1.291 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001368937031 887510085 /nfs/dbraw/zinc/51/00/85/887510085.db2.gz BDZGAQCOWBITQJ-VHSXEESVSA-N 0 3 286.336 -1.883 20 0 CAADHN C[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)N(C)CCO ZINC001368987089 887510367 /nfs/dbraw/zinc/51/03/67/887510367.db2.gz WMVBRQYGOJEDEE-RKDXNWHRSA-N 0 3 281.378 -1.647 20 0 CAADHN C[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)N(C)CCO ZINC001368987086 887511323 /nfs/dbraw/zinc/51/13/23/887511323.db2.gz WMVBRQYGOJEDEE-IUCAKERBSA-N 0 3 281.378 -1.647 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)c1cnn(C)n1 ZINC001368995307 887513680 /nfs/dbraw/zinc/51/36/80/887513680.db2.gz VTAWRPKOESFBSP-UWVGGRQHSA-N 0 3 285.348 -1.128 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)Cn1cncn1 ZINC001369002405 887513718 /nfs/dbraw/zinc/51/37/18/887513718.db2.gz YDRGJIQSOYLQMZ-MNOVXSKESA-N 0 3 285.348 -1.278 20 0 CAADHN COCCN(C)[C@@H](C)CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001368999254 887514329 /nfs/dbraw/zinc/51/43/29/887514329.db2.gz JMWVNCVVOICMSP-VHSXEESVSA-N 0 3 293.389 -1.239 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001368995319 887514548 /nfs/dbraw/zinc/51/45/48/887514548.db2.gz VTAWRPKOESFBSP-ZJUUUORDSA-N 0 3 285.348 -1.128 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)c1cnn(C)n1 ZINC001368995311 887515662 /nfs/dbraw/zinc/51/56/62/887515662.db2.gz VTAWRPKOESFBSP-VHSXEESVSA-N 0 3 285.348 -1.128 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@@H]2CNC(=O)N2)CCCCC1 ZINC001369050397 887518404 /nfs/dbraw/zinc/51/84/04/887518404.db2.gz BPTWBQOMLJHNQT-VIFPVBQESA-N 0 3 297.359 -1.438 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2(CCO)CN(CC(N)=O)C2)C1 ZINC001369032358 887518653 /nfs/dbraw/zinc/51/86/53/887518653.db2.gz QZAVASJQUMFQGH-NSHDSACASA-N 0 3 298.387 -1.634 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001369144464 887521037 /nfs/dbraw/zinc/52/10/37/887521037.db2.gz LYUSXLHAJUWAMD-GXSJLCMTSA-N 0 3 295.343 -1.025 20 0 CAADHN COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)Cc2nnc[n-]2)C1 ZINC001369099056 887522714 /nfs/dbraw/zinc/52/27/14/887522714.db2.gz SECWTPDCBDNDBK-MWLCHTKSSA-N 0 3 297.359 -1.209 20 0 CAADHN CN(C(=O)c1nnn(C)n1)[C@H](CNCC(N)=O)C1CC1 ZINC001369216908 887524399 /nfs/dbraw/zinc/52/43/99/887524399.db2.gz JIBQCSSPSDIJLE-MRVPVSSYSA-N 0 3 281.320 -1.864 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001369158344 887524439 /nfs/dbraw/zinc/52/44/39/887524439.db2.gz WCELOCGRYFGTMO-VHSXEESVSA-N 0 3 295.343 -1.025 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCOCC1)N[C@@H](C)C(N)=O ZINC001369245966 887524761 /nfs/dbraw/zinc/52/47/61/887524761.db2.gz SCVRVMZSSYPOQC-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@H](NC[C@H](C1CC1)N(C)C(=O)Cn1cnnn1)C(N)=O ZINC001369202429 887525119 /nfs/dbraw/zinc/52/51/19/887525119.db2.gz IHQPPZKCHPPNLT-WCBMZHEXSA-N 0 3 295.347 -1.627 20 0 CAADHN CO[C@@H](C)C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O ZINC001369238112 887525141 /nfs/dbraw/zinc/52/51/41/887525141.db2.gz RPBGRSAYQGOWSZ-YUMQZZPRSA-N 0 3 274.321 -1.347 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CNC(C)=O ZINC001369235634 887525176 /nfs/dbraw/zinc/52/51/76/887525176.db2.gz SIIIUDIWVOWBNH-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN COCCC(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O ZINC001369221952 887525202 /nfs/dbraw/zinc/52/52/02/887525202.db2.gz QEKYYFFMOJUOQZ-QMMMGPOBSA-N 0 3 274.321 -1.346 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001369158336 887525381 /nfs/dbraw/zinc/52/53/81/887525381.db2.gz WCELOCGRYFGTMO-UWVGGRQHSA-N 0 3 295.343 -1.025 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)CNC(C)=O ZINC001369205725 887525567 /nfs/dbraw/zinc/52/55/67/887525567.db2.gz JLYREOHTQZFLPS-NSHDSACASA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cnnn1)N[C@H]1CCNC1=O ZINC001369225692 887525751 /nfs/dbraw/zinc/52/57/51/887525751.db2.gz KUWHQRRCPJSJGY-BDAKNGLRSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCOCC1)N[C@H](C)C(N)=O ZINC001369245962 887525798 /nfs/dbraw/zinc/52/57/98/887525798.db2.gz SCVRVMZSSYPOQC-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cnnn1)N[C@@H]1CCNC1=O ZINC001369225701 887526094 /nfs/dbraw/zinc/52/60/94/887526094.db2.gz KUWHQRRCPJSJGY-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCCO1)NCC(=O)NC(N)=O ZINC001369236526 887526118 /nfs/dbraw/zinc/52/61/18/887526118.db2.gz OXLUYZTXJJYSOQ-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)c1ncc[nH]1 ZINC001369247326 887526183 /nfs/dbraw/zinc/52/61/83/887526183.db2.gz AJXPJOBHOIUGLL-MRVPVSSYSA-N 0 3 296.331 -1.085 20 0 CAADHN C[C@@H](NC[C@@H](C1CC1)N(C)C(=O)Cn1cnnn1)C(N)=O ZINC001369202428 887526198 /nfs/dbraw/zinc/52/61/98/887526198.db2.gz IHQPPZKCHPPNLT-SCZZXKLOSA-N 0 3 295.347 -1.627 20 0 CAADHN C[C@H](CN(C)C(=O)CS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001369228728 887526356 /nfs/dbraw/zinc/52/63/56/887526356.db2.gz GBTUZCFSAZDVGL-SFYZADRCSA-N 0 3 279.362 -1.659 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1nccnc1N ZINC001369244387 887526526 /nfs/dbraw/zinc/52/65/26/887526526.db2.gz WZOPKVRLPAOPJU-QMMMGPOBSA-N 0 3 280.332 -1.145 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1nc[n-]n1 ZINC001369216598 887526547 /nfs/dbraw/zinc/52/65/47/887526547.db2.gz PSFZGENXFMBWJR-SECBINFHSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)CNC(C)=O ZINC001369205724 887526593 /nfs/dbraw/zinc/52/65/93/887526593.db2.gz JLYREOHTQZFLPS-LLVKDONJSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)NCC(=O)N(C)C ZINC001369243817 887526669 /nfs/dbraw/zinc/52/66/69/887526669.db2.gz ATLHWMZGKIUBEB-RKDXNWHRSA-N 0 3 286.332 -1.381 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CO[C@@H]1CCOC1 ZINC001369249472 887527676 /nfs/dbraw/zinc/52/76/76/887527676.db2.gz HCMCSJSDQWWMIK-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn2c(n1)COCC2)NCC(N)=O ZINC001369265029 887527939 /nfs/dbraw/zinc/52/79/39/887527939.db2.gz SCCFDZADLSAYIV-VIFPVBQESA-N 0 3 295.343 -1.051 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)NCC(=O)N(C)C ZINC001369252900 887528394 /nfs/dbraw/zinc/52/83/94/887528394.db2.gz FNRYXLSHRBDUHE-WDEREUQCSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001369252252 887528430 /nfs/dbraw/zinc/52/84/30/887528430.db2.gz SHJRXUAIIUVILQ-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H](C)NS(C)(=O)=O)NCC(N)=O ZINC001369280109 887528706 /nfs/dbraw/zinc/52/87/06/887528706.db2.gz QAGZRWKQPDHRCV-HTQZYQBOSA-N 0 3 294.377 -2.154 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001369273379 887528966 /nfs/dbraw/zinc/52/89/66/887528966.db2.gz OVSZSCGBHLSAGA-VHSXEESVSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N(C)C ZINC001369276809 887529512 /nfs/dbraw/zinc/52/95/12/887529512.db2.gz NAHQJZKOLZPEIJ-AEJSXWLSSA-N 0 3 284.360 -1.368 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CCCC(N)=O)C(N)=O ZINC001369294417 887529721 /nfs/dbraw/zinc/52/97/21/887529721.db2.gz DIMFPGUZPKHDCH-DTWKUNHWSA-N 0 3 272.349 -1.048 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001369273364 887529874 /nfs/dbraw/zinc/52/98/74/887529874.db2.gz OVSZSCGBHLSAGA-NXEZZACHSA-N 0 3 299.375 -1.371 20 0 CAADHN Cn1cccc1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001369310987 887535311 /nfs/dbraw/zinc/53/53/11/887535311.db2.gz KVPYRFRYLKIQHL-LLVKDONJSA-N 0 3 292.343 -1.003 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001369318846 887539557 /nfs/dbraw/zinc/53/95/57/887539557.db2.gz PZJOOVXQIHZVMR-BDAKNGLRSA-N 0 3 298.347 -2.062 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CO)CNC(=O)CCc1nnc[nH]1 ZINC001369318850 887540714 /nfs/dbraw/zinc/54/07/14/887540714.db2.gz PZJOOVXQIHZVMR-IUCAKERBSA-N 0 3 298.347 -2.062 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@H](CO)NCCO)cn1C ZINC001369331137 887542108 /nfs/dbraw/zinc/54/21/08/887542108.db2.gz DRRJGKNZMKPTNN-SNVBAGLBSA-N 0 3 283.328 -1.634 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@@H](CO)NCCO)cn1C ZINC001369331133 887542384 /nfs/dbraw/zinc/54/23/84/887542384.db2.gz DRRJGKNZMKPTNN-JTQLQIEISA-N 0 3 283.328 -1.634 20 0 CAADHN CN1CCC[C@H]1C(=O)NC[C@@H](CO)NCc1cnnn1C ZINC001369325864 887543960 /nfs/dbraw/zinc/54/39/60/887543960.db2.gz ZNALBFLMKSQAKK-JQWIXIFHSA-N 0 3 296.375 -1.524 20 0 CAADHN COc1c[nH]c(C(=O)NC[C@@H](CO)NCCO)cc1=O ZINC001369338032 887547743 /nfs/dbraw/zinc/54/77/43/887547743.db2.gz JECUOMRBJNZALU-QMMMGPOBSA-N 0 3 285.300 -1.944 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](CO)NCCn2cncn2)nn1 ZINC001369332419 887548045 /nfs/dbraw/zinc/54/80/45/887548045.db2.gz MRNNEKPVJGCFQW-VIFPVBQESA-N 0 3 294.319 -2.213 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCCC1=O)c1cnon1 ZINC001369363529 887556383 /nfs/dbraw/zinc/55/63/83/887556383.db2.gz MCWPZMKSLHVNIB-SECBINFHSA-N 0 3 297.315 -1.628 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCS(C)(=O)=O ZINC001369383386 887562946 /nfs/dbraw/zinc/56/29/46/887562946.db2.gz FXNXBNXWRIRDOC-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CN2CCCC2=O)C1 ZINC001369389523 887564342 /nfs/dbraw/zinc/56/43/42/887564342.db2.gz QVUAYJBJNHMOTR-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1)NC(N)=O ZINC001369442478 887564362 /nfs/dbraw/zinc/56/43/62/887564362.db2.gz RJONQXRBCVYSSU-DTWKUNHWSA-N 0 3 299.375 -1.255 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)Cn1cnnn1)C(N)=O ZINC001369441541 887564395 /nfs/dbraw/zinc/56/43/95/887564395.db2.gz LLKWCWZNTOHNOO-DTWKUNHWSA-N 0 3 299.335 -2.654 20 0 CAADHN COCCC(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001369442445 887564476 /nfs/dbraw/zinc/56/44/76/887564476.db2.gz LXDXULDSNHVQAI-MRVPVSSYSA-N 0 3 290.320 -2.373 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CCC(=O)N2)CC1(C)C ZINC001369441081 887564600 /nfs/dbraw/zinc/56/46/00/887564600.db2.gz GINNWEFSOGGJEK-UWVGGRQHSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CC1(C)C ZINC001369431949 887564744 /nfs/dbraw/zinc/56/47/44/887564744.db2.gz CENMHRCJMNRUQE-IUCAKERBSA-N 0 3 297.359 -1.760 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)[C@H]1C ZINC001369387789 887564792 /nfs/dbraw/zinc/56/47/92/887564792.db2.gz HHXGXBAZWTUMFV-VXNVDRBHSA-N 0 3 299.331 -2.104 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001369439461 887565849 /nfs/dbraw/zinc/56/58/49/887565849.db2.gz FFJIKNAAQKLLDG-SFYZADRCSA-N 0 3 290.320 -2.375 20 0 CAADHN C[C@H](CC(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1)NC(N)=O ZINC001369442487 887566130 /nfs/dbraw/zinc/56/61/30/887566130.db2.gz RJONQXRBCVYSSU-RKDXNWHRSA-N 0 3 299.375 -1.255 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@H]1C ZINC001369387779 887566283 /nfs/dbraw/zinc/56/62/83/887566283.db2.gz HHXGXBAZWTUMFV-APPZFPTMSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CC1(C)C ZINC001369431954 887566375 /nfs/dbraw/zinc/56/63/75/887566375.db2.gz CENMHRCJMNRUQE-RKDXNWHRSA-N 0 3 297.359 -1.760 20 0 CAADHN COCCC(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001369442453 887566383 /nfs/dbraw/zinc/56/63/83/887566383.db2.gz LXDXULDSNHVQAI-QMMMGPOBSA-N 0 3 290.320 -2.373 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCNC(N)=O)C1 ZINC001369400429 887566483 /nfs/dbraw/zinc/56/64/83/887566483.db2.gz OSFZEWLJGYYEDZ-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)NC[C@H](CO)NCCF ZINC001369390253 887566551 /nfs/dbraw/zinc/56/65/51/887566551.db2.gz ZZGLRBFEDNXCLR-NWDGAFQWSA-N 0 3 291.367 -1.009 20 0 CAADHN C[C@H](CC(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1)NC(N)=O ZINC001369442473 887566700 /nfs/dbraw/zinc/56/67/00/887566700.db2.gz RJONQXRBCVYSSU-BDAKNGLRSA-N 0 3 299.375 -1.255 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cncnc1 ZINC001369456511 887567945 /nfs/dbraw/zinc/56/79/45/887567945.db2.gz PGZMTWVZMTUYAT-QWRGUYRKSA-N 0 3 293.327 -1.612 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cncnc1 ZINC001369456510 887568004 /nfs/dbraw/zinc/56/80/04/887568004.db2.gz PGZMTWVZMTUYAT-MNOVXSKESA-N 0 3 293.327 -1.612 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CC[C@H]1CCCO1 ZINC001369448662 887568280 /nfs/dbraw/zinc/56/82/80/887568280.db2.gz LSSKVFZWGVWBHN-WDEREUQCSA-N 0 3 287.360 -1.160 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1ccon1)C(N)=O ZINC001369455990 887568293 /nfs/dbraw/zinc/56/82/93/887568293.db2.gz PXXJCKSQGOURFN-IUCAKERBSA-N 0 3 284.316 -1.039 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1c[nH]c(C)n1 ZINC001369451864 887568429 /nfs/dbraw/zinc/56/84/29/887568429.db2.gz QUDNXUXABJFQEN-SECBINFHSA-N 0 3 283.332 -1.513 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ncoc1C ZINC001369456162 887568726 /nfs/dbraw/zinc/56/87/26/887568726.db2.gz QQSVMYFZIPCURE-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN Cc1ncoc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001369456034 887568847 /nfs/dbraw/zinc/56/88/47/887568847.db2.gz ASUPTNBBOYGNMY-IUCAKERBSA-N 0 3 284.316 -1.121 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001369446440 887569016 /nfs/dbraw/zinc/56/90/16/887569016.db2.gz IIHVZDLWILIGBI-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cncnc1)C(N)=O ZINC001369455022 887569081 /nfs/dbraw/zinc/56/90/81/887569081.db2.gz IWEQUOSFVNMKCH-WPRPVWTQSA-N 0 3 281.316 -1.627 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C1=COCCO1 ZINC001369450338 887569211 /nfs/dbraw/zinc/56/92/11/887569211.db2.gz FOMOBZVQEDKWJZ-QMMMGPOBSA-N 0 3 273.289 -2.231 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1cn[nH]c1 ZINC001369446929 887569329 /nfs/dbraw/zinc/56/93/29/887569329.db2.gz IYUOITNHVOTJGP-QWRGUYRKSA-N 0 3 295.343 -1.337 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)no1 ZINC001369450960 887569409 /nfs/dbraw/zinc/56/94/09/887569409.db2.gz HISWJRRDEYHMFM-DTWKUNHWSA-N 0 3 284.316 -1.121 20 0 CAADHN Cc1ncncc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001369445134 887569493 /nfs/dbraw/zinc/56/94/93/887569493.db2.gz GBVKGVRFLCCUEF-SECBINFHSA-N 0 3 281.316 -1.707 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1ccon1)C(N)=O ZINC001369455987 887569660 /nfs/dbraw/zinc/56/96/60/887569660.db2.gz PXXJCKSQGOURFN-DTWKUNHWSA-N 0 3 284.316 -1.039 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccnn1C ZINC001369451034 887570018 /nfs/dbraw/zinc/57/00/18/887570018.db2.gz CSUNFBUOGFLLBN-ZJUUUORDSA-N 0 3 295.343 -1.669 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)n(C)n1 ZINC001369451163 887570163 /nfs/dbraw/zinc/57/01/63/887570163.db2.gz DAOMYVSFNZVRBC-VHSXEESVSA-N 0 3 297.359 -1.375 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n(C)n1 ZINC001369454415 887570351 /nfs/dbraw/zinc/57/03/51/887570351.db2.gz LFJFOHYGZVLGJK-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001369449984 887570429 /nfs/dbraw/zinc/57/04/29/887570429.db2.gz AWSILSDCEWNULO-UWVGGRQHSA-N 0 3 273.333 -1.822 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)CC(C)(C)O)C(N)=O ZINC001369456092 887570513 /nfs/dbraw/zinc/57/05/13/887570513.db2.gz NPXADNWVRXSITO-UWVGGRQHSA-N 0 3 289.376 -1.180 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)COCC1CC1 ZINC001369452866 887570536 /nfs/dbraw/zinc/57/05/36/887570536.db2.gz UDYXXQGDQSYJOD-NWDGAFQWSA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)CC(C)(C)O)C(N)=O ZINC001369456097 887570602 /nfs/dbraw/zinc/57/06/02/887570602.db2.gz NPXADNWVRXSITO-ZJUUUORDSA-N 0 3 289.376 -1.180 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)n(C)n1 ZINC001369451133 887570734 /nfs/dbraw/zinc/57/07/34/887570734.db2.gz DAOMYVSFNZVRBC-NXEZZACHSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1cn[nH]c1 ZINC001369446914 887570824 /nfs/dbraw/zinc/57/08/24/887570824.db2.gz IYUOITNHVOTJGP-GHMZBOCLSA-N 0 3 295.343 -1.337 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccccn1 ZINC001369447771 887570881 /nfs/dbraw/zinc/57/08/81/887570881.db2.gz BBVYXBHWQJRBSS-GHMZBOCLSA-N 0 3 292.339 -1.007 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cncnc1 ZINC001369456512 887570898 /nfs/dbraw/zinc/57/08/98/887570898.db2.gz PGZMTWVZMTUYAT-WDEREUQCSA-N 0 3 293.327 -1.612 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001369465773 887572540 /nfs/dbraw/zinc/57/25/40/887572540.db2.gz CDICJZILWAFDLD-JTQLQIEISA-N 0 3 284.316 -1.628 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ocnc1C ZINC001369463495 887572366 /nfs/dbraw/zinc/57/23/66/887572366.db2.gz XUZZQFXBQJVRKD-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001369468036 887572407 /nfs/dbraw/zinc/57/24/07/887572407.db2.gz IHCDRAXASKBNIX-QMMMGPOBSA-N 0 3 299.335 -2.679 20 0 CAADHN Cc1nn(C)c(C)c1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001369467735 887572752 /nfs/dbraw/zinc/57/27/52/887572752.db2.gz DSICJZNVULIURW-SNVBAGLBSA-N 0 3 297.359 -1.455 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1ccco1 ZINC001369467314 887572906 /nfs/dbraw/zinc/57/29/06/887572906.db2.gz AFZBFZJCWKGZCK-JTQLQIEISA-N 0 3 283.328 -1.023 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccc(F)cn1 ZINC001369457428 887572920 /nfs/dbraw/zinc/57/29/20/887572920.db2.gz BRFWDSHVUXKWGG-SECBINFHSA-N 0 3 284.291 -1.272 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1ccncn1 ZINC001369462500 887572952 /nfs/dbraw/zinc/57/29/52/887572952.db2.gz KIJVFKRKAZCWRG-LLVKDONJSA-N 0 3 295.343 -1.697 20 0 CAADHN CCn1nncc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001369463082 887573099 /nfs/dbraw/zinc/57/30/99/887573099.db2.gz ZVYUOZQNGPABCZ-RKDXNWHRSA-N 0 3 298.347 -1.806 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ncn(C)n1 ZINC001369461304 887573116 /nfs/dbraw/zinc/57/31/16/887573116.db2.gz PKFACROJTDBYSC-ZETCQYMHSA-N 0 3 270.293 -2.677 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1ccco1 ZINC001369467315 887573195 /nfs/dbraw/zinc/57/31/95/887573195.db2.gz AFZBFZJCWKGZCK-SNVBAGLBSA-N 0 3 283.328 -1.023 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cc[nH]c(=O)c1 ZINC001369457801 887573259 /nfs/dbraw/zinc/57/32/59/887573259.db2.gz FJDQJZPVLZUIFL-SECBINFHSA-N 0 3 282.300 -1.705 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1nnn(C)n1 ZINC001369468291 887573440 /nfs/dbraw/zinc/57/34/40/887573440.db2.gz KFVRCPNFQIMSPH-YUMQZZPRSA-N 0 3 297.319 -2.879 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CN1CCOCC1 ZINC001369461315 887573559 /nfs/dbraw/zinc/57/35/59/887573559.db2.gz MMTQPEPOOFXNQY-JTQLQIEISA-N 0 3 288.348 -2.787 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001369461919 887573582 /nfs/dbraw/zinc/57/35/82/887573582.db2.gz RQBTYBAMMGKCGF-DTWKUNHWSA-N 0 3 286.332 -2.593 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)c1ncc[nH]1 ZINC001369458784 887573632 /nfs/dbraw/zinc/57/36/32/887573632.db2.gz DKNJXJNPVGZVCJ-SNVBAGLBSA-N 0 3 295.343 -1.336 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001369461925 887573769 /nfs/dbraw/zinc/57/37/69/887573769.db2.gz RQBTYBAMMGKCGF-RKDXNWHRSA-N 0 3 286.332 -2.593 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccc(C)nn1 ZINC001369458595 887573794 /nfs/dbraw/zinc/57/37/94/887573794.db2.gz BVLBAWAFKHIPPJ-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@@H]1CCCCO1 ZINC001369457274 887574316 /nfs/dbraw/zinc/57/43/16/887574316.db2.gz DSAJHVYIVAQFQL-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCN(C)C1=O)C(=O)c1ncc[nH]1 ZINC001369460871 887574447 /nfs/dbraw/zinc/57/44/47/887574447.db2.gz NSKKWFVHNMVQLW-NXEZZACHSA-N 0 3 295.343 -1.337 20 0 CAADHN COCC1(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)CC1 ZINC001369468854 887574536 /nfs/dbraw/zinc/57/45/36/887574536.db2.gz OUCMVOODHBODJQ-UWVGGRQHSA-N 0 3 287.360 -1.304 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001369461916 887574615 /nfs/dbraw/zinc/57/46/15/887574615.db2.gz RQBTYBAMMGKCGF-BDAKNGLRSA-N 0 3 286.332 -2.593 20 0 CAADHN COCC1(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)CC1 ZINC001369468858 887574716 /nfs/dbraw/zinc/57/47/16/887574716.db2.gz OUCMVOODHBODJQ-ZJUUUORDSA-N 0 3 287.360 -1.304 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001369467657 887574856 /nfs/dbraw/zinc/57/48/56/887574856.db2.gz CZVVZDCWRHGBRX-VIFPVBQESA-N 0 3 298.347 -1.728 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C1=COCCC1 ZINC001369457454 887574909 /nfs/dbraw/zinc/57/49/09/887574909.db2.gz STNQBGFAPAPXTD-SNVBAGLBSA-N 0 3 271.317 -1.425 20 0 CAADHN Cc1ccnc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001369459198 887575013 /nfs/dbraw/zinc/57/50/13/887575013.db2.gz ZXDSHJNVOUGXJD-ZJUUUORDSA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ncccn1 ZINC001369483352 887576255 /nfs/dbraw/zinc/57/62/55/887576255.db2.gz MYSUMMVCUSUICS-SECBINFHSA-N 0 3 281.316 -1.755 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cccn(C)c1=O ZINC001369489455 887577305 /nfs/dbraw/zinc/57/73/05/887577305.db2.gz XFKVBHWIJZXTJZ-SECBINFHSA-N 0 3 296.327 -2.107 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)CCn1cnnn1)C(N)=O ZINC001369485764 887577098 /nfs/dbraw/zinc/57/70/98/887577098.db2.gz RUQXRRBHKIQNTK-BDAKNGLRSA-N 0 3 299.335 -2.654 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)Cn1ccnc1)C(N)=O ZINC001369485581 887577196 /nfs/dbraw/zinc/57/71/96/887577196.db2.gz DOQUVSHXRVDBDD-GHMZBOCLSA-N 0 3 297.359 -1.444 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001369477859 887577879 /nfs/dbraw/zinc/57/78/79/887577879.db2.gz AGARCWUQMMTLPY-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1cncn1C ZINC001369477140 887578023 /nfs/dbraw/zinc/57/80/23/887578023.db2.gz DTUKTRBXIRFRGQ-NSHDSACASA-N 0 3 297.359 -1.883 20 0 CAADHN Cc1cn(C)nc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001369473469 887578341 /nfs/dbraw/zinc/57/83/41/887578341.db2.gz UQIYEINJCAHVQM-UWVGGRQHSA-N 0 3 297.359 -1.375 20 0 CAADHN Cc1cn(C)nc1C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001369473466 887578718 /nfs/dbraw/zinc/57/87/18/887578718.db2.gz UQIYEINJCAHVQM-NXEZZACHSA-N 0 3 297.359 -1.375 20 0 CAADHN CC(C)n1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)cn1 ZINC001369480566 887579166 /nfs/dbraw/zinc/57/91/66/887579166.db2.gz OIDRFSXUVKCDQS-NSHDSACASA-N 0 3 297.359 -1.028 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cccnn1 ZINC001369477858 887579415 /nfs/dbraw/zinc/57/94/15/887579415.db2.gz AGARCWUQMMTLPY-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN CC[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CC(N)=O)N(C)C ZINC001369513560 887580474 /nfs/dbraw/zinc/58/04/74/887580474.db2.gz MQSYHNSSHYKEDO-QWRGUYRKSA-N 0 3 288.392 -1.437 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)CS(C)(=O)=O ZINC001369545920 887582010 /nfs/dbraw/zinc/58/20/10/887582010.db2.gz UQQMVYUOMIYQST-MRVPVSSYSA-N 0 3 293.389 -1.363 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001369499939 887582742 /nfs/dbraw/zinc/58/27/42/887582742.db2.gz DJMHYZCGAHPSCI-VIFPVBQESA-N 0 3 286.336 -1.779 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001369495466 887583735 /nfs/dbraw/zinc/58/37/35/887583735.db2.gz OKHYJUDGVUGUFH-NSHDSACASA-N 0 3 270.333 -1.223 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001369512526 887585240 /nfs/dbraw/zinc/58/52/40/887585240.db2.gz WTUZFAVHJOSDBR-BDAKNGLRSA-N 0 3 275.305 -2.162 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001369738132 887586089 /nfs/dbraw/zinc/58/60/89/887586089.db2.gz RUDXHQVRZJQFFW-VHSXEESVSA-N 0 3 295.347 -1.482 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001369738136 887588914 /nfs/dbraw/zinc/58/89/14/887588914.db2.gz RUDXHQVRZJQFFW-ZJUUUORDSA-N 0 3 295.347 -1.482 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001370047476 887597685 /nfs/dbraw/zinc/59/76/85/887597685.db2.gz UKAJWWWGDUTTFQ-MNOVXSKESA-N 0 3 283.332 -1.524 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001369977344 887597964 /nfs/dbraw/zinc/59/79/64/887597964.db2.gz LITRVJPGUMLJMI-RYUDHWBXSA-N 0 3 297.359 -1.134 20 0 CAADHN Cn1cnn(CCC(=O)N[C@H]2CCN(CCCO)C2)c1=O ZINC001370009503 887598129 /nfs/dbraw/zinc/59/81/29/887598129.db2.gz MVKBJIDMMVVKKZ-NSHDSACASA-N 0 3 297.359 -1.455 20 0 CAADHN CC[C@H](OC)C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001371132822 887649228 /nfs/dbraw/zinc/64/92/28/887649228.db2.gz LXEJULYHTHSUBZ-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN Cn1cnn(CCC(=O)N[C@H]2CCN(CCO)C2)c1=O ZINC001370004763 887599177 /nfs/dbraw/zinc/59/91/77/887599177.db2.gz CVNMVAGXBUPUJA-JTQLQIEISA-N 0 3 283.332 -1.845 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001370047410 887599787 /nfs/dbraw/zinc/59/97/87/887599787.db2.gz UKAJWWWGDUTTFQ-GHMZBOCLSA-N 0 3 283.332 -1.524 20 0 CAADHN CCN1CC[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001370031719 887599932 /nfs/dbraw/zinc/59/99/32/887599932.db2.gz JYUGKRBAYBKTAR-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001369987681 887600412 /nfs/dbraw/zinc/60/04/12/887600412.db2.gz QMLXKCJXOMEVRE-UWVGGRQHSA-N 0 3 284.320 -2.129 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)CCn2ccnn2)C1 ZINC001369977342 887600571 /nfs/dbraw/zinc/60/05/71/887600571.db2.gz LITRVJPGUMLJMI-NWDGAFQWSA-N 0 3 297.359 -1.134 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC1 ZINC001370229966 887602400 /nfs/dbraw/zinc/60/24/00/887602400.db2.gz ZUMWYHQARVTQFS-VWYCJHECSA-N 0 3 296.371 -1.142 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C[C@@H](C)NC(N)=O)C1CC1 ZINC001370168884 887602634 /nfs/dbraw/zinc/60/26/34/887602634.db2.gz BDXCJINISUIYRS-SCZZXKLOSA-N 0 3 299.375 -1.336 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](NCc1cnnn1C)C1CC1 ZINC001370130102 887602928 /nfs/dbraw/zinc/60/29/28/887602928.db2.gz QDDBWSRMDGNNBQ-GFCCVEGCSA-N 0 3 294.359 -1.064 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001370178197 887602828 /nfs/dbraw/zinc/60/28/28/887602828.db2.gz OMNYSRKWMOAPGX-NXEZZACHSA-N 0 3 297.359 -1.712 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)CCn1cnnn1)C1CC1)C(N)=O ZINC001370273549 887603083 /nfs/dbraw/zinc/60/30/83/887603083.db2.gz OHBUREFYUZBWTP-SCZZXKLOSA-N 0 3 295.347 -1.579 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](N[C@H](C)C(=O)NC)C1CC1 ZINC001370176679 887603318 /nfs/dbraw/zinc/60/33/18/887603318.db2.gz LFDKIZWXYSKKPM-PSASIEDQSA-N 0 3 299.375 -1.466 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](N[C@H](C)C(N)=O)C1CC1 ZINC001370128749 887603353 /nfs/dbraw/zinc/60/33/53/887603353.db2.gz GRPOHWHJDLXIJS-VXNVDRBHSA-N 0 3 286.332 -1.299 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001370174614 887603392 /nfs/dbraw/zinc/60/33/92/887603392.db2.gz JSQZYJWYGHMADA-ZJUUUORDSA-N 0 3 293.331 -1.954 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1cnn(C)n1)C1CC1 ZINC001370231345 887603423 /nfs/dbraw/zinc/60/34/23/887603423.db2.gz JQGKXOPJGVVQMI-VIFPVBQESA-N 0 3 280.332 -1.341 20 0 CAADHN NC(=O)NC(=O)CN[C@H](CNC(=O)C(F)F)C1CC1 ZINC001370110597 887603614 /nfs/dbraw/zinc/60/36/14/887603614.db2.gz KPFYBLQYGIQPOG-ZCFIWIBFSA-N 0 3 278.259 -1.069 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)NC1=O ZINC001370216276 887603521 /nfs/dbraw/zinc/60/35/21/887603521.db2.gz SAOZQNYFUNIHRD-DTWKUNHWSA-N 0 3 283.332 -2.020 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)Cn1ncnn1)C1CC1)C(N)=O ZINC001370168653 887603856 /nfs/dbraw/zinc/60/38/56/887603856.db2.gz AHYISXPVWCEEIV-CBAPKCEASA-N 0 3 281.320 -1.969 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001370207350 887604046 /nfs/dbraw/zinc/60/40/46/887604046.db2.gz BLDWDGYZFZMDRE-ZJUUUORDSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](N[C@@H](C)C(=O)NC)C1CC1 ZINC001370176686 887604069 /nfs/dbraw/zinc/60/40/69/887604069.db2.gz LFDKIZWXYSKKPM-WPRPVWTQSA-N 0 3 299.375 -1.466 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001370178199 887604073 /nfs/dbraw/zinc/60/40/73/887604073.db2.gz OMNYSRKWMOAPGX-UWVGGRQHSA-N 0 3 297.359 -1.712 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](N[C@@H](C)C(N)=O)C1CC1 ZINC001370149609 887604079 /nfs/dbraw/zinc/60/40/79/887604079.db2.gz NHILNWMDVZJWMT-WCBMZHEXSA-N 0 3 284.360 -1.129 20 0 CAADHN CN(C)C(=O)C[NH2+][C@H](CNC(=O)Cc1nnc[n-]1)C1CC1 ZINC001370258617 887604093 /nfs/dbraw/zinc/60/40/93/887604093.db2.gz TUWMXVMYRGLBPV-SNVBAGLBSA-N 0 3 294.359 -1.080 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001370207346 887604100 /nfs/dbraw/zinc/60/41/00/887604100.db2.gz BLDWDGYZFZMDRE-UWVGGRQHSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001370359009 887604767 /nfs/dbraw/zinc/60/47/67/887604767.db2.gz KQELXDUTVFEAOE-NSHDSACASA-N 0 3 282.344 -1.599 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001370358649 887605422 /nfs/dbraw/zinc/60/54/22/887605422.db2.gz VFXWDYITUGRCMU-QWRGUYRKSA-N 0 3 285.344 -1.320 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1)C(N)=O ZINC001370357824 887605439 /nfs/dbraw/zinc/60/54/39/887605439.db2.gz PMWVWTLWHBZHLR-WDEREUQCSA-N 0 3 296.371 -1.033 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001370364029 887605531 /nfs/dbraw/zinc/60/55/31/887605531.db2.gz HPDKHGBBCCJFOJ-UWVGGRQHSA-N 0 3 298.343 -1.190 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001370359458 887605668 /nfs/dbraw/zinc/60/56/68/887605668.db2.gz NSHDWNUJBURNRH-IUCAKERBSA-N 0 3 294.359 -1.059 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001370396331 887605714 /nfs/dbraw/zinc/60/57/14/887605714.db2.gz VNHBCKKNNAHHQQ-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC001370355569 887605745 /nfs/dbraw/zinc/60/57/45/887605745.db2.gz IMLSATMSQZCDCN-UWVGGRQHSA-N 0 3 298.343 -1.059 20 0 CAADHN CCOCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001370337116 887605779 /nfs/dbraw/zinc/60/57/79/887605779.db2.gz CKXPBOJEPDFJPS-QMMMGPOBSA-N 0 3 272.305 -1.592 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001370394485 887605882 /nfs/dbraw/zinc/60/58/82/887605882.db2.gz YAOIHDIHMJCQFF-IUCAKERBSA-N 0 3 283.332 -2.006 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)c2OC)C1 ZINC001370406428 887605994 /nfs/dbraw/zinc/60/59/94/887605994.db2.gz NCTNSTPFUORYOQ-VIFPVBQESA-N 0 3 295.343 -1.021 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001370391587 887606003 /nfs/dbraw/zinc/60/60/03/887606003.db2.gz IZAXRPPMVZLMNV-VIFPVBQESA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001370370946 887606172 /nfs/dbraw/zinc/60/61/72/887606172.db2.gz HNCMXBRNYYSPPF-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001370357168 887606320 /nfs/dbraw/zinc/60/63/20/887606320.db2.gz RKFGGBMLOUDTPK-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001370356028 887606725 /nfs/dbraw/zinc/60/67/25/887606725.db2.gz KJERGJNJUUTBHZ-LBPRGKRZSA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001370531947 887611442 /nfs/dbraw/zinc/61/14/42/887611442.db2.gz GUMVWCZDGACFDD-CIUDSAMLSA-N 0 3 280.332 -1.282 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](CO)NC(=O)c1cn[nH]c1 ZINC001370720570 887629708 /nfs/dbraw/zinc/62/97/08/887629708.db2.gz YMMRQQOMLWXKPP-LLVKDONJSA-N 0 3 297.359 -1.043 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)c1cn[nH]c1 ZINC001370720573 887630178 /nfs/dbraw/zinc/63/01/78/887630178.db2.gz YMMRQQOMLWXKPP-NSHDSACASA-N 0 3 297.359 -1.043 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](CO)NC(=O)c1cn[nH]c1 ZINC001370708160 887630747 /nfs/dbraw/zinc/63/07/47/887630747.db2.gz ZDOUJPQDLLJBHS-LLVKDONJSA-N 0 3 297.359 -1.042 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)COC)N(C)C ZINC001370757083 887631877 /nfs/dbraw/zinc/63/18/77/887631877.db2.gz NVNUQRUDRVDTFX-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1cnon1)N(C)C ZINC001370763943 887632261 /nfs/dbraw/zinc/63/22/61/887632261.db2.gz XZNSMVUGWZQSQQ-WPRPVWTQSA-N 0 3 299.331 -1.383 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NC(=O)c1cnon1)N(C)C ZINC001370763933 887633951 /nfs/dbraw/zinc/63/39/51/887633951.db2.gz XZNSMVUGWZQSQQ-PSASIEDQSA-N 0 3 299.331 -1.383 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CCCC[C@H]2CNCC(N)=O)C1 ZINC001370911633 887639289 /nfs/dbraw/zinc/63/92/89/887639289.db2.gz ABSWVBRYFSQLOG-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001370967573 887641515 /nfs/dbraw/zinc/64/15/15/887641515.db2.gz QHXUHALDEYWIJD-WZQZWDJBSA-N 0 3 294.355 -1.554 20 0 CAADHN CC[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)COC)N(C)C ZINC001371006237 887645922 /nfs/dbraw/zinc/64/59/22/887645922.db2.gz XEDZPTFAFMKAHD-WDEREUQCSA-N 0 3 289.376 -1.092 20 0 CAADHN Cc1c(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)cnn1C ZINC001371114646 887647047 /nfs/dbraw/zinc/64/70/47/887647047.db2.gz JBNCFXZXDHMCLL-ZETCQYMHSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)NCC1CC1 ZINC001371104634 887647180 /nfs/dbraw/zinc/64/71/80/887647180.db2.gz NUYOQNKVASXRET-VIFPVBQESA-N 0 3 295.347 -1.706 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCOC1 ZINC001371129155 887647305 /nfs/dbraw/zinc/64/73/05/887647305.db2.gz BRFMVYKDLLSKDV-RKDXNWHRSA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)NCC(=O)NC(C)(C)C ZINC001371100219 887647398 /nfs/dbraw/zinc/64/73/98/887647398.db2.gz CXPMLKVQPIZWRD-SECBINFHSA-N 0 3 297.363 -1.318 20 0 CAADHN CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001371101376 887647469 /nfs/dbraw/zinc/64/74/69/887647469.db2.gz GSYYDCITOAMSLU-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCN(C)C1=O ZINC001371099834 887647538 /nfs/dbraw/zinc/64/75/38/887647538.db2.gz BVBTXFXVHIKXGL-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)NC1CC1 ZINC001371145606 887647740 /nfs/dbraw/zinc/64/77/40/887647740.db2.gz XETRCANVJKCJQH-WCBMZHEXSA-N 0 3 282.344 -1.362 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)NC1CC1 ZINC001371145594 887647841 /nfs/dbraw/zinc/64/78/41/887647841.db2.gz XETRCANVJKCJQH-PSASIEDQSA-N 0 3 282.344 -1.362 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)CNC(C)=O ZINC001371096613 887648115 /nfs/dbraw/zinc/64/81/15/887648115.db2.gz XGKLMHJXCCFCQL-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cn(C)cn1)C(=O)NC(N)=O ZINC001371141252 887648147 /nfs/dbraw/zinc/64/81/47/887648147.db2.gz DKYVMSKSOFRAJF-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@H](CNC(=O)Cc1ccon1)N[C@@H](C)C(=O)NC(N)=O ZINC001371142640 887648545 /nfs/dbraw/zinc/64/85/45/887648545.db2.gz FBKLKEPWSSBCNV-SFYZADRCSA-N 0 3 297.315 -1.105 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cnccn1 ZINC001371088841 887648552 /nfs/dbraw/zinc/64/85/52/887648552.db2.gz GXEMUMVZKSEVPX-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC ZINC001371143636 887648590 /nfs/dbraw/zinc/64/85/90/887648590.db2.gz UGMAKGFONBCJAC-BDAKNGLRSA-N 0 3 272.349 -1.259 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001371140825 887648622 /nfs/dbraw/zinc/64/86/22/887648622.db2.gz OSDHTPJGYXRDOQ-BDAKNGLRSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CN1CCCC1=O ZINC001371106202 887648803 /nfs/dbraw/zinc/64/88/03/887648803.db2.gz QRYKAHDZEMAYML-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001371140009 887649374 /nfs/dbraw/zinc/64/93/74/887649374.db2.gz OHGVCDQDXFDAKB-SSDOTTSWSA-N 0 3 296.331 -1.369 20 0 CAADHN COCCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC(N)=O ZINC001371088821 887649396 /nfs/dbraw/zinc/64/93/96/887649396.db2.gz PGCLYYSVNKWCGA-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cn1cnnn1)C(=O)NC1CC1 ZINC001371108850 887649474 /nfs/dbraw/zinc/64/94/74/887649474.db2.gz WEGLMEGJNJLZCZ-DTWKUNHWSA-N 0 3 295.347 -1.566 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)c1nnn(C)c1C ZINC001371147287 887649506 /nfs/dbraw/zinc/64/95/06/887649506.db2.gz JQEDPWCKUZUJCG-QMMMGPOBSA-N 0 3 282.348 -1.032 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001371130291 887649625 /nfs/dbraw/zinc/64/96/25/887649625.db2.gz SIAOFJQFZGDOCU-HTQZYQBOSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1=O)N[C@@H]1CCCNC1=O ZINC001371104443 887649807 /nfs/dbraw/zinc/64/98/07/887649807.db2.gz NAGQAOXGIOAZFV-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN COC[C@@H](C)C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001371138294 887649836 /nfs/dbraw/zinc/64/98/36/887649836.db2.gz ZWWINAZDGSYKRR-SFYZADRCSA-N 0 3 274.321 -1.442 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1=O)N[C@@H](C)C(N)=O ZINC001371108799 887649851 /nfs/dbraw/zinc/64/98/51/887649851.db2.gz VAUUDBYQVSQRGI-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CN1CCCC1=O)C(N)=O ZINC001371108798 887649860 /nfs/dbraw/zinc/64/98/60/887649860.db2.gz VAUUDBYQVSQRGI-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CNC(=O)Cc1ccon1)N[C@@H](C)C(=O)NC(N)=O ZINC001371142641 887649887 /nfs/dbraw/zinc/64/98/87/887649887.db2.gz FBKLKEPWSSBCNV-YUMQZZPRSA-N 0 3 297.315 -1.105 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCOC1 ZINC001371129146 887649899 /nfs/dbraw/zinc/64/98/99/887649899.db2.gz BRFMVYKDLLSKDV-DTWKUNHWSA-N 0 3 286.332 -1.427 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)NCCS(C)(=O)=O ZINC001371103459 887649904 /nfs/dbraw/zinc/64/99/04/887649904.db2.gz QBYXSFFIWYCAPT-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)N(C)C ZINC001371173208 887651270 /nfs/dbraw/zinc/65/12/70/887651270.db2.gz XZWOUHUHEIUVCL-YUMQZZPRSA-N 0 3 272.305 -1.723 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CN1CCCNC1=O ZINC001371249129 887651371 /nfs/dbraw/zinc/65/13/71/887651371.db2.gz AJJAEFWJOILSDR-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CCNC1=O ZINC001371201362 887651519 /nfs/dbraw/zinc/65/15/19/887651519.db2.gz LPPLIHRSIVEAKB-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNC(=O)CC1(O)CCC1)NCC(=O)NC(N)=O ZINC001371188354 887652129 /nfs/dbraw/zinc/65/21/29/887652129.db2.gz VDUHZMXIKIIEJF-QMMMGPOBSA-N 0 3 286.332 -1.419 20 0 CAADHN CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001371180236 887652239 /nfs/dbraw/zinc/65/22/39/887652239.db2.gz RPGMXRKQVGWDCI-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CCNC1=O ZINC001371201368 887652553 /nfs/dbraw/zinc/65/25/53/887652553.db2.gz LPPLIHRSIVEAKB-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NCCS(C)(=O)=O ZINC001371165740 887653354 /nfs/dbraw/zinc/65/33/54/887653354.db2.gz AXBNFANVBOZQEJ-YUMQZZPRSA-N 0 3 293.345 -1.766 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001371258222 887654957 /nfs/dbraw/zinc/65/49/57/887654957.db2.gz GJBRAKIIGKAAQE-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](CNC(=O)c1ccc2nnnn2c1)N[C@@H](C)C(N)=O ZINC001371279002 887655205 /nfs/dbraw/zinc/65/52/05/887655205.db2.gz OMCHQOPHJFKWJV-YUMQZZPRSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)N[C@H](C)C(N)=O ZINC001371304551 887655228 /nfs/dbraw/zinc/65/52/28/887655228.db2.gz FIAXQINUNGVBIF-RKDXNWHRSA-N 0 3 285.348 -2.614 20 0 CAADHN CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001371350779 887655292 /nfs/dbraw/zinc/65/52/92/887655292.db2.gz SEELCLRDYAPPGW-VHSXEESVSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@H]1CCN(C)C1=O ZINC001371350852 887655691 /nfs/dbraw/zinc/65/56/91/887655691.db2.gz UHPWKMBAMJCZNJ-IUCAKERBSA-N 0 3 293.327 -1.292 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001371304532 887655875 /nfs/dbraw/zinc/65/58/75/887655875.db2.gz FIAXQINUNGVBIF-DTWKUNHWSA-N 0 3 285.348 -2.614 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N[C@@H](C)C(=O)N(C)C ZINC001371311286 887655906 /nfs/dbraw/zinc/65/59/06/887655906.db2.gz NHYNJVWUFFJIPW-YUMQZZPRSA-N 0 3 283.336 -1.605 20 0 CAADHN C[C@H](CNC(=O)c1cnn2cccnc12)NCC(N)=O ZINC001371323055 887655923 /nfs/dbraw/zinc/65/59/23/887655923.db2.gz QUHCPIVOUSZEPD-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](CNC(=O)C(C)(C)NS(C)(=O)=O)NCC(N)=O ZINC001371375883 887655973 /nfs/dbraw/zinc/65/59/73/887655973.db2.gz JAKJDBQPBRSJCU-ZETCQYMHSA-N 0 3 294.377 -2.106 20 0 CAADHN CC(C)N(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001371350777 887656040 /nfs/dbraw/zinc/65/60/40/887656040.db2.gz SEELCLRDYAPPGW-NXEZZACHSA-N 0 3 299.375 -1.371 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001371258226 887656108 /nfs/dbraw/zinc/65/61/08/887656108.db2.gz GJBRAKIIGKAAQE-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)NS(C)(=O)=O)NCC(N)=O ZINC001371375882 887656306 /nfs/dbraw/zinc/65/63/06/887656306.db2.gz JAKJDBQPBRSJCU-SSDOTTSWSA-N 0 3 294.377 -2.106 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001371361768 887656317 /nfs/dbraw/zinc/65/63/17/887656317.db2.gz HAFLEFAMEYMVPS-AEJSXWLSSA-N 0 3 284.360 -1.273 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CN1CCCNC1=O ZINC001371249138 887656538 /nfs/dbraw/zinc/65/65/38/887656538.db2.gz AJJAEFWJOILSDR-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)c1c[nH]c(=O)n1C ZINC001371305712 887656709 /nfs/dbraw/zinc/65/67/09/887656709.db2.gz IZZBIAGLGSZQAA-QMMMGPOBSA-N 0 3 283.332 -1.030 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001371360933 887656816 /nfs/dbraw/zinc/65/68/16/887656816.db2.gz FBOBLLSEDQQIHX-BBBLOLIVSA-N 0 3 284.360 -1.272 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)CCn1cnnn1 ZINC001371391161 887658084 /nfs/dbraw/zinc/65/80/84/887658084.db2.gz MVBSDSJRWIHOGJ-JTQLQIEISA-N 0 3 297.363 -1.318 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)[C@@H]2CCC(=O)N2)n[nH]1 ZINC001371427367 887658132 /nfs/dbraw/zinc/65/81/32/887658132.db2.gz MEWLJADHBIIILO-CBAPKCEASA-N 0 3 280.332 -1.014 20 0 CAADHN C[C@@H](CNC(=O)Cc1nc[nH]n1)NCCS(C)(=O)=O ZINC001371427364 887658155 /nfs/dbraw/zinc/65/81/55/887658155.db2.gz SKEOIWZOWSHUKR-QMMMGPOBSA-N 0 3 289.361 -1.514 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001371444541 887658573 /nfs/dbraw/zinc/65/85/73/887658573.db2.gz QKCVABLDWZINJL-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)N[C@@H](C)C(=O)N(C)C ZINC001371447356 887658654 /nfs/dbraw/zinc/65/86/54/887658654.db2.gz FEAWJVOQJBTBBL-UWVGGRQHSA-N 0 3 282.348 -1.151 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)CCn2cnnn2)n[nH]1 ZINC001371389685 887658721 /nfs/dbraw/zinc/65/87/21/887658721.db2.gz KFYCSTXHTUBLFR-QMMMGPOBSA-N 0 3 293.335 -1.216 20 0 CAADHN C[C@H](CNC(=O)Cc1nc[nH]n1)NCCS(C)(=O)=O ZINC001371427356 887658739 /nfs/dbraw/zinc/65/87/39/887658739.db2.gz SKEOIWZOWSHUKR-MRVPVSSYSA-N 0 3 289.361 -1.514 20 0 CAADHN C[C@H](CNC(=O)CN1CCC(=O)NC1=O)NCCF ZINC001371406470 887658771 /nfs/dbraw/zinc/65/87/71/887658771.db2.gz DDHSTZBFTJXZDM-MRVPVSSYSA-N 0 3 274.296 -1.008 20 0 CAADHN C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)NCCF ZINC001371406472 887659007 /nfs/dbraw/zinc/65/90/07/887659007.db2.gz DDHSTZBFTJXZDM-QMMMGPOBSA-N 0 3 274.296 -1.008 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NC[C@H](C)NCC(=O)NC ZINC001371444955 887659059 /nfs/dbraw/zinc/65/90/59/887659059.db2.gz WMHYTSBJVGWFQG-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001371444538 887659529 /nfs/dbraw/zinc/65/95/29/887659529.db2.gz QKCVABLDWZINJL-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)CNC(C)=O)C1)C(N)=O ZINC001371496840 887661602 /nfs/dbraw/zinc/66/16/02/887661602.db2.gz LMZWGICZTMURRX-VHSXEESVSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001371473692 887661799 /nfs/dbraw/zinc/66/17/99/887661799.db2.gz XJYYUBOOAQVIRF-SSDOTTSWSA-N 0 3 281.316 -1.433 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001371499754 887662041 /nfs/dbraw/zinc/66/20/41/887662041.db2.gz FFOSTMWFJTZWFZ-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001371499536 887662292 /nfs/dbraw/zinc/66/22/92/887662292.db2.gz CRBPECUXMNRQPF-NSHDSACASA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](CNC(=O)Cc1ccc(C(N)=O)cc1)NCC(N)=O ZINC001371478305 887662740 /nfs/dbraw/zinc/66/27/40/887662740.db2.gz CQCMWSDHOUEAMT-SECBINFHSA-N 0 3 292.339 -1.092 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)NCC(=O)N1CCC1 ZINC001371451675 887662796 /nfs/dbraw/zinc/66/27/96/887662796.db2.gz UNKKKHIZKSPXRZ-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN Cc1nnc2n1C[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)CC2 ZINC001371465377 887662950 /nfs/dbraw/zinc/66/29/50/887662950.db2.gz MUVKGCJANLZNHE-SCZZXKLOSA-N 0 3 294.359 -1.271 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001371502237 887664894 /nfs/dbraw/zinc/66/48/94/887664894.db2.gz ULIBDLUDGNZHSA-NSHDSACASA-N 0 3 279.344 -1.101 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001371512256 887665105 /nfs/dbraw/zinc/66/51/05/887665105.db2.gz VRFRVMWQJLHXLV-VIFPVBQESA-N 0 3 280.332 -1.152 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001371510560 887665345 /nfs/dbraw/zinc/66/53/45/887665345.db2.gz ROPZRSZHBOYXET-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001371502804 887666482 /nfs/dbraw/zinc/66/64/82/887666482.db2.gz HKASMIJUKMBMHN-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001371507968 887666525 /nfs/dbraw/zinc/66/65/25/887666525.db2.gz BUSMUEQEQXSZAA-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2ccc(=O)n(C)n2)C1 ZINC001371551634 887668259 /nfs/dbraw/zinc/66/82/59/887668259.db2.gz OQFMMCIVRSGCNH-VIFPVBQESA-N 0 3 293.327 -1.670 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001371574341 887668732 /nfs/dbraw/zinc/66/87/32/887668732.db2.gz ABBJWTPHFMTXTN-MRVPVSSYSA-N 0 3 279.300 -1.281 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN(C)C[C@H](C)O ZINC001372053704 887683296 /nfs/dbraw/zinc/68/32/96/887683296.db2.gz OMLHFSQRJIAYEM-QMMMGPOBSA-N 0 3 282.366 -2.531 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001371535226 887668913 /nfs/dbraw/zinc/66/89/13/887668913.db2.gz WFRILZHBBYPNRE-VIFPVBQESA-N 0 3 292.299 -1.524 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC001371544408 887669452 /nfs/dbraw/zinc/66/94/52/887669452.db2.gz ORZMKPGKYWSTLY-JTQLQIEISA-N 0 3 293.327 -1.057 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H](COC)OC ZINC001372941905 887715549 /nfs/dbraw/zinc/71/55/49/887715549.db2.gz DCNMCFOSYITSOH-NXEZZACHSA-N 0 3 275.349 -1.170 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H](COC)OC ZINC001372941908 887716430 /nfs/dbraw/zinc/71/64/30/887716430.db2.gz DCNMCFOSYITSOH-UWVGGRQHSA-N 0 3 275.349 -1.170 20 0 CAADHN COC[C@@H](C)N(C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001371968287 887676625 /nfs/dbraw/zinc/67/66/25/887676625.db2.gz GILTUHUGSOCPAO-SECBINFHSA-N 0 3 298.347 -1.540 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001371938738 887677354 /nfs/dbraw/zinc/67/73/54/887677354.db2.gz IFFDNJIHRBIYOB-RYUDHWBXSA-N 0 3 289.376 -1.628 20 0 CAADHN CN(CCNC(=O)[C@@H]1CN(C)CCO1)CCn1cncn1 ZINC001371939868 887679570 /nfs/dbraw/zinc/67/95/70/887679570.db2.gz LJVFMRGPNZYFLN-LBPRGKRZSA-N 0 3 296.375 -1.343 20 0 CAADHN CCn1nncc1C(=O)NCCN(C)C[C@H](O)COC ZINC001371965958 887679768 /nfs/dbraw/zinc/67/97/68/887679768.db2.gz PBHWMZGMHCNGKQ-JTQLQIEISA-N 0 3 285.348 -1.033 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)C[C@@H]1CCNC1=O ZINC001372000457 887681443 /nfs/dbraw/zinc/68/14/43/887681443.db2.gz VKABZDISALDLEL-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001371997757 887681975 /nfs/dbraw/zinc/68/19/75/887681975.db2.gz SBTBPDISBBNNEG-WDEREUQCSA-N 0 3 287.360 -1.480 20 0 CAADHN CNC(=O)NCC(=O)NCCN(C)CCc1ccnn1C ZINC001371995830 887682224 /nfs/dbraw/zinc/68/22/24/887682224.db2.gz NNCYCWRHXXPHJZ-UHFFFAOYSA-N 0 3 296.375 -1.060 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001372107208 887686171 /nfs/dbraw/zinc/68/61/71/887686171.db2.gz GOHBJWCZVVMSIV-BBBLOLIVSA-N 0 3 273.333 -1.837 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001372365366 887692768 /nfs/dbraw/zinc/69/27/68/887692768.db2.gz ONPZFNHGMUHMHW-JTQLQIEISA-N 0 3 297.359 -1.024 20 0 CAADHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001372263376 887693206 /nfs/dbraw/zinc/69/32/06/887693206.db2.gz XIZGGBMJSLADRI-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001372263378 887693949 /nfs/dbraw/zinc/69/39/49/887693949.db2.gz XIZGGBMJSLADRI-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CCN(CCNC(=O)[C@H]1CCC(=O)N1)CCn1cncn1 ZINC001372277232 887694325 /nfs/dbraw/zinc/69/43/25/887694325.db2.gz AVGHIKUSPJIEAR-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CCN(CCNC(=O)[C@@H]1CNC(=O)N1)C[C@@H](O)COC ZINC001372411206 887695910 /nfs/dbraw/zinc/69/59/10/887695910.db2.gz PGORJAUXTIODEX-ZJUUUORDSA-N 0 3 288.348 -1.887 20 0 CAADHN O=C(CN1CCOCC1=O)NC[C@@H]1CCCN1CCO ZINC001372521862 887696303 /nfs/dbraw/zinc/69/63/03/887696303.db2.gz LXAQOUSXGRCUQY-NSHDSACASA-N 0 3 285.344 -1.582 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)CNC(N)=O)C1 ZINC001372479313 887697059 /nfs/dbraw/zinc/69/70/59/887697059.db2.gz HYEIADPTSRUVKQ-VHSXEESVSA-N 0 3 297.359 -1.534 20 0 CAADHN O=C(CN1CCOCC1=O)NC[C@H]1CCCN1CCO ZINC001372521861 887697762 /nfs/dbraw/zinc/69/77/62/887697762.db2.gz LXAQOUSXGRCUQY-LLVKDONJSA-N 0 3 285.344 -1.582 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001372592966 887699392 /nfs/dbraw/zinc/69/93/92/887699392.db2.gz PABZZUZRMDZIDH-ZJUUUORDSA-N 0 3 295.347 -1.625 20 0 CAADHN O=C(CN1CCCNC1=O)NC[C@@H]1CCCN1CCO ZINC001372539983 887701066 /nfs/dbraw/zinc/70/10/66/887701066.db2.gz ZSUHDDVWYTUYMK-NSHDSACASA-N 0 3 284.360 -1.025 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@H](CNC(=O)Cn2cnnn2)C1 ZINC001372592944 887701770 /nfs/dbraw/zinc/70/17/70/887701770.db2.gz PABZZUZRMDZIDH-UWVGGRQHSA-N 0 3 295.347 -1.625 20 0 CAADHN NC(=O)CN1CCC[C@H]1CNC(=O)CCc1cnn[nH]1 ZINC001372556728 887702125 /nfs/dbraw/zinc/70/21/25/887702125.db2.gz UMDMKVFAHZWMMZ-JTQLQIEISA-N 0 3 280.332 -1.197 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1cn[nH]c(=O)c1 ZINC001372935519 887714558 /nfs/dbraw/zinc/71/45/58/887714558.db2.gz DPLRYKBEISTETF-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001372905315 887714856 /nfs/dbraw/zinc/71/48/56/887714856.db2.gz GZCKXUGFDGQPNV-VHSXEESVSA-N 0 3 299.375 -1.371 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CN1CCOCC1 ZINC001372938510 887715121 /nfs/dbraw/zinc/71/51/21/887715121.db2.gz JCEDAUJQBZLSHB-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1ccc(=O)n(C)c1 ZINC001372937906 887715455 /nfs/dbraw/zinc/71/54/55/887715455.db2.gz QKXDRRFKOWTSCZ-LLVKDONJSA-N 0 3 292.339 -1.065 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)c1cnn(C)c1N ZINC001372936221 887715897 /nfs/dbraw/zinc/71/58/97/887715897.db2.gz DBEASQKTZLDPNN-JTQLQIEISA-N 0 3 294.359 -1.105 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001372921482 887716542 /nfs/dbraw/zinc/71/65/42/887716542.db2.gz PRYTYHLMCUBQIC-JTQLQIEISA-N 0 3 270.333 -1.599 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001372934782 887716894 /nfs/dbraw/zinc/71/68/94/887716894.db2.gz JBHIBEHFQAXKOJ-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)C(N)=O ZINC001372943753 887716929 /nfs/dbraw/zinc/71/69/29/887716929.db2.gz HNZCZUCBTAINTO-BBBLOLIVSA-N 0 3 284.360 -1.190 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H](COC)OC ZINC001372941911 887716956 /nfs/dbraw/zinc/71/69/56/887716956.db2.gz DCNMCFOSYITSOH-ZJUUUORDSA-N 0 3 275.349 -1.170 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001372884649 887716981 /nfs/dbraw/zinc/71/69/81/887716981.db2.gz CMZNWBWHOGSHLM-SECBINFHSA-N 0 3 297.363 -1.214 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001372934776 887717049 /nfs/dbraw/zinc/71/70/49/887717049.db2.gz JBHIBEHFQAXKOJ-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1ccc(=O)n(C)c1 ZINC001372937912 887717445 /nfs/dbraw/zinc/71/74/45/887717445.db2.gz QKXDRRFKOWTSCZ-NSHDSACASA-N 0 3 292.339 -1.065 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001372907138 887717520 /nfs/dbraw/zinc/71/75/20/887717520.db2.gz DEQZFQCLNFNXRK-JTQLQIEISA-N 0 3 270.333 -1.599 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCNC(=O)C1 ZINC001372940592 887717549 /nfs/dbraw/zinc/71/75/49/887717549.db2.gz MWAKJVCKSJPDNN-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](C)NC(=O)Cn1ncnn1 ZINC001372890721 887717588 /nfs/dbraw/zinc/71/75/88/887717588.db2.gz MRDNCTBTRXJNPK-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)CCNC(N)=O)C1=O ZINC001372979560 887718471 /nfs/dbraw/zinc/71/84/71/887718471.db2.gz PMFPJXRVTYMYOW-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1coc(C(N)=O)c1)C(N)=O ZINC001372949826 887718500 /nfs/dbraw/zinc/71/85/00/887718500.db2.gz QCBJSFXLGWYHMN-ZETCQYMHSA-N 0 3 282.300 -1.086 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001372985490 887718694 /nfs/dbraw/zinc/71/86/94/887718694.db2.gz SKNJVFUQLAGMNN-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001372987857 887718719 /nfs/dbraw/zinc/71/87/19/887718719.db2.gz UUEOPPKCKJFQPB-QMMMGPOBSA-N 0 3 272.349 -1.177 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCN[C@@H](C)C(N)=O)C1 ZINC001372947356 887719247 /nfs/dbraw/zinc/71/92/47/887719247.db2.gz XKYBFXBVURVTBN-QMMMGPOBSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1)C(=O)N(C)C ZINC001372970476 887719417 /nfs/dbraw/zinc/71/94/17/887719417.db2.gz XEQWJJKUNNMIMU-ZJUUUORDSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001372956766 887719816 /nfs/dbraw/zinc/71/98/16/887719816.db2.gz ZONBGRNJCKINNZ-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCN[C@H](C)C(N)=O)C1 ZINC001372947354 887719840 /nfs/dbraw/zinc/71/98/40/887719840.db2.gz XKYBFXBVURVTBN-MRVPVSSYSA-N 0 3 270.333 -1.614 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CN1CCNC(=O)C1)C(N)=O ZINC001372946742 887720300 /nfs/dbraw/zinc/72/03/00/887720300.db2.gz GJXAMJJYMRDEDM-SNVBAGLBSA-N 0 3 299.375 -2.270 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001372951459 887720621 /nfs/dbraw/zinc/72/06/21/887720621.db2.gz VLRZXGNJOSKOJG-VWYCJHECSA-N 0 3 296.371 -1.176 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001372995858 887720945 /nfs/dbraw/zinc/72/09/45/887720945.db2.gz WIAOJRCUTQNUCM-GXSJLCMTSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001372956768 887720974 /nfs/dbraw/zinc/72/09/74/887720974.db2.gz ZONBGRNJCKINNZ-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001372944008 887721419 /nfs/dbraw/zinc/72/14/19/887721419.db2.gz STJSXCYSPXXDPG-JGVFFNPUSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cccnn1)C(=O)NC(N)=O ZINC001372981211 887721688 /nfs/dbraw/zinc/72/16/88/887721688.db2.gz LHSRJBXZYAUNHQ-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001372944009 887721769 /nfs/dbraw/zinc/72/17/69/887721769.db2.gz STJSXCYSPXXDPG-YUMQZZPRSA-N 0 3 273.337 -1.645 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001373031954 887724195 /nfs/dbraw/zinc/72/41/95/887724195.db2.gz OJRAYNGGWSHZCG-VIFPVBQESA-N 0 3 297.363 -1.214 20 0 CAADHN C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001373276255 887726428 /nfs/dbraw/zinc/72/64/28/887726428.db2.gz XUJABFJBMAXCBG-NXEZZACHSA-N 0 3 295.347 -1.673 20 0 CAADHN CN1CCO[C@@H](C(=O)NCC[C@@H]2CCN(CC(N)=O)C2)C1 ZINC001373145258 887727167 /nfs/dbraw/zinc/72/71/67/887727167.db2.gz BWXGBEWSOCZRTB-VXGBXAGGSA-N 0 3 298.387 -1.370 20 0 CAADHN Cc1nnc(CC(=O)NCC[C@@H]2CCN(CC(N)=O)C2)[nH]1 ZINC001373184267 887727556 /nfs/dbraw/zinc/72/75/56/887727556.db2.gz BZUVBDPHRMSQQI-SNVBAGLBSA-N 0 3 294.359 -1.031 20 0 CAADHN C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001373276256 887728111 /nfs/dbraw/zinc/72/81/11/887728111.db2.gz XUJABFJBMAXCBG-UWVGGRQHSA-N 0 3 295.347 -1.673 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001373291455 887731246 /nfs/dbraw/zinc/73/12/46/887731246.db2.gz PWBMIXPDUVDMFB-NXEZZACHSA-N 0 3 299.375 -1.431 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001373345799 887732930 /nfs/dbraw/zinc/73/29/30/887732930.db2.gz FQPCTNAZULUYEA-LPEHRKFASA-N 0 3 297.359 -1.488 20 0 CAADHN CN(CCNC(=O)[C@H]1CCC(=O)N1)C(=O)CN1CCCC1 ZINC001373375266 887734856 /nfs/dbraw/zinc/73/48/56/887734856.db2.gz NBTWSMULNVWSFS-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001373404607 887734989 /nfs/dbraw/zinc/73/49/89/887734989.db2.gz QRCYCDVWYIKZRX-QCNOEVLYSA-N 0 3 299.371 -1.304 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)CNC(=O)C2CC2)C1 ZINC001373497528 887745204 /nfs/dbraw/zinc/74/52/04/887745204.db2.gz MYZOWYBFARKAEV-GFCCVEGCSA-N 0 3 299.371 -1.432 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)C[C@H]2CCNC2=O)C1 ZINC001373513965 887745419 /nfs/dbraw/zinc/74/54/19/887745419.db2.gz OZXHKBNRIJWWIJ-NEPJUHHUSA-N 0 3 299.371 -1.432 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2COCCO2)C1 ZINC001373494222 887747920 /nfs/dbraw/zinc/74/79/20/887747920.db2.gz IKGMEWWSQMBNHJ-VXGBXAGGSA-N 0 3 288.344 -1.543 20 0 CAADHN CC[C@H](C(=O)NCCN(C)C(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001373526684 887749093 /nfs/dbraw/zinc/74/90/93/887749093.db2.gz YWQKCUAGXMZJDB-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001373582512 887749585 /nfs/dbraw/zinc/74/95/85/887749585.db2.gz UTACELTZZJIXTL-VHSXEESVSA-N 0 3 284.320 -2.129 20 0 CAADHN CCCN1C[C@@H]2C[C@H]1CN2C(=O)CNS(=O)(=O)NC ZINC001373574533 887750139 /nfs/dbraw/zinc/75/01/39/887750139.db2.gz JJUWMXUGHHCOKU-UWVGGRQHSA-N 0 3 290.389 -1.265 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001373526493 887753097 /nfs/dbraw/zinc/75/30/97/887753097.db2.gz RLGKAUSNHRFRDO-SNVBAGLBSA-N 0 3 297.359 -1.599 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001373595070 887756596 /nfs/dbraw/zinc/75/65/96/887756596.db2.gz GZRDRIMSWPROAK-SRVKXCTJSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCN(C[C@H](O)COC)C1 ZINC001373594667 887758023 /nfs/dbraw/zinc/75/80/23/887758023.db2.gz CQPGNNLUNVGFFM-UWVGGRQHSA-N 0 3 288.348 -1.887 20 0 CAADHN C[C@H](CC(=O)N(C)[C@@H]1CCN(CCO)C1)NC(N)=O ZINC001373669280 887759313 /nfs/dbraw/zinc/75/93/13/887759313.db2.gz YVTKZQPUAPGFNM-NXEZZACHSA-N 0 3 272.349 -1.042 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)c2cnnn2C)C1 ZINC001373667905 887759595 /nfs/dbraw/zinc/75/95/95/887759595.db2.gz UJEJPLQEKMXXBB-QWRGUYRKSA-N 0 3 297.359 -1.031 20 0 CAADHN C[C@H](CC(=O)N(C)[C@H]1CCN(CCO)C1)NC(N)=O ZINC001373669292 887759858 /nfs/dbraw/zinc/75/98/58/887759858.db2.gz YVTKZQPUAPGFNM-ZJUUUORDSA-N 0 3 272.349 -1.042 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001373656145 887759927 /nfs/dbraw/zinc/75/99/27/887759927.db2.gz HNXFMEBZIVXJMW-GHMZBOCLSA-N 0 3 298.347 -1.787 20 0 CAADHN CCCN(C)CC(=O)N(C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001373647763 887760040 /nfs/dbraw/zinc/76/00/40/887760040.db2.gz YNGGMOVKHKDSGH-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001373666896 887764159 /nfs/dbraw/zinc/76/41/59/887764159.db2.gz OSPVNTKERYGMCI-QWRGUYRKSA-N 0 3 297.359 -1.031 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCCC1=O)N[C@@H]1CCNC1=O ZINC001373728396 887764849 /nfs/dbraw/zinc/76/48/49/887764849.db2.gz LEJALXWLDGCYEC-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CCCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001373790581 887765374 /nfs/dbraw/zinc/76/53/74/887765374.db2.gz LZASIWINLKAIFH-UWVGGRQHSA-N 0 3 299.375 -1.322 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)NCC(N)=O ZINC001373758702 887765785 /nfs/dbraw/zinc/76/57/85/887765785.db2.gz CTKNHLAVSATFHQ-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)NCC(=O)NC ZINC001373798565 887766016 /nfs/dbraw/zinc/76/60/16/887766016.db2.gz SMLKABWPBWPSLQ-MRVPVSSYSA-N 0 3 295.343 -1.042 20 0 CAADHN CC[C@H](CNC(=O)CN1CCCC1=O)N[C@@H]1CCNC1=O ZINC001373728393 887766111 /nfs/dbraw/zinc/76/61/11/887766111.db2.gz LEJALXWLDGCYEC-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@H](CNC(=O)CN1CCOCC1)N[C@@H](C)C(N)=O ZINC001373740152 887766140 /nfs/dbraw/zinc/76/61/40/887766140.db2.gz GRQWWLZAVNTZNO-WDEREUQCSA-N 0 3 286.376 -1.323 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](C)COC)NCC(=O)NC(N)=O ZINC001373739566 887766159 /nfs/dbraw/zinc/76/61/59/887766159.db2.gz QFWQNGIYZBSNQK-DTWKUNHWSA-N 0 3 288.348 -1.052 20 0 CAADHN CC[C@@H](C(=O)NCCN(C)C(=O)Cn1ncnn1)N(C)C ZINC001373696614 887766250 /nfs/dbraw/zinc/76/62/50/887766250.db2.gz BBWWRLJTKZHGCH-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)OC)N[C@H](C)C(=O)NC ZINC001373740355 887766310 /nfs/dbraw/zinc/76/63/10/887766310.db2.gz ZACSBJKXMBCQBM-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@H](CNC(=O)CN(C)C(C)=O)N[C@@H](C)C(N)=O ZINC001373726132 887766370 /nfs/dbraw/zinc/76/63/70/887766370.db2.gz BZHLZXSKKASFJR-WCBMZHEXSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)OC)N[C@H](C)C(=O)NC ZINC001373740347 887766389 /nfs/dbraw/zinc/76/63/89/887766389.db2.gz ZACSBJKXMBCQBM-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)NCC(=O)NC ZINC001373738799 887766417 /nfs/dbraw/zinc/76/64/17/887766417.db2.gz GXDOBODXTZZBSV-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1COCCO1)NCC(=O)N(C)C ZINC001373727659 887766459 /nfs/dbraw/zinc/76/64/59/887766459.db2.gz JXSBNLBRTZNEIL-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)N[C@H]1CCN(C)C1=O ZINC001373728386 887767754 /nfs/dbraw/zinc/76/77/54/887767754.db2.gz LBQVJXCFDCCNNE-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CC[C@H](CNC(=O)C1CS(=O)(=O)C1)N[C@H](C)C(N)=O ZINC001373757611 887767783 /nfs/dbraw/zinc/76/77/83/887767783.db2.gz YXRUSBYGRZLKAT-VXNVDRBHSA-N 0 3 291.373 -1.611 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)N[C@H]1CCN(C)C1=O ZINC001373728388 887768354 /nfs/dbraw/zinc/76/83/54/887768354.db2.gz LBQVJXCFDCCNNE-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCOCC1)N[C@H](C)C(N)=O ZINC001373740148 887768381 /nfs/dbraw/zinc/76/83/81/887768381.db2.gz GRQWWLZAVNTZNO-MNOVXSKESA-N 0 3 286.376 -1.323 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H](C)NC(C)=O ZINC001373954213 887769643 /nfs/dbraw/zinc/76/96/43/887769643.db2.gz JNHCDKLGZUVRET-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNCC1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCCC1 ZINC001373856415 887769961 /nfs/dbraw/zinc/76/99/61/887769961.db2.gz CUHCFTGKTBLFRN-ZJUUUORDSA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001373955839 887770368 /nfs/dbraw/zinc/77/03/68/887770368.db2.gz WGFPTDFNICXNAT-MRVPVSSYSA-N 0 3 294.315 -1.201 20 0 CAADHN Cn1ncc(C(=O)N[C@](C)(CNCC(N)=O)C2CC2)n1 ZINC001373893526 887770918 /nfs/dbraw/zinc/77/09/18/887770918.db2.gz KDVIEWBHAXOMIZ-GFCCVEGCSA-N 0 3 280.332 -1.212 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1COCCO1 ZINC001373955860 887770824 /nfs/dbraw/zinc/77/08/24/887770824.db2.gz WZVSOUXUZOMECN-ZJUUUORDSA-N 0 3 271.317 -1.532 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1COCCO1 ZINC001373955859 887770850 /nfs/dbraw/zinc/77/08/50/887770850.db2.gz WZVSOUXUZOMECN-NXEZZACHSA-N 0 3 271.317 -1.532 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)CNC(=O)NC ZINC001373961121 887770880 /nfs/dbraw/zinc/77/08/80/887770880.db2.gz WIPVHSMGOGGROB-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN NC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC001373959943 887771691 /nfs/dbraw/zinc/77/16/91/887771691.db2.gz VVKXKGDWJLETET-NXEZZACHSA-N 0 3 298.343 -1.202 20 0 CAADHN CC[C@H](CNC(=O)CS(=O)(=O)NC)N[C@H](C)C(N)=O ZINC001373824313 887772120 /nfs/dbraw/zinc/77/21/20/887772120.db2.gz FJPMOSBIEWRJMD-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O ZINC001373951442 887771755 /nfs/dbraw/zinc/77/17/55/887771755.db2.gz PCPUJKNGROJCSM-SECBINFHSA-N 0 3 299.331 -2.102 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H](C)NC(N)=O ZINC001373960470 887771795 /nfs/dbraw/zinc/77/17/95/887771795.db2.gz JZCVSIJZSMFBLX-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CC(=O)N[C@](C)(CNCC(=O)N1CCNC(=O)C1)C1CC1 ZINC001373865409 887771881 /nfs/dbraw/zinc/77/18/81/887771881.db2.gz NSNRXTLBFWFUTJ-CQSZACIVSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](CNC(=O)c1cnon1)NCC(=O)NC(=O)NC ZINC001373806435 887772236 /nfs/dbraw/zinc/77/22/36/887772236.db2.gz ADBALWGQABMFHN-ZETCQYMHSA-N 0 3 298.303 -1.377 20 0 CAADHN CN(CC(=O)NC[C@@H]1CN(CC(N)=O)CCO1)C1CCC1 ZINC001374133178 887777101 /nfs/dbraw/zinc/77/71/01/887777101.db2.gz VBPWNOAFHOJCHU-GFCCVEGCSA-N 0 3 298.387 -1.227 20 0 CAADHN CNC(=O)CNC1(CNC(=O)c2nnn(C)n2)CCCC1 ZINC001374165965 887777252 /nfs/dbraw/zinc/77/72/52/887777252.db2.gz MAEPJBMZLKBJGO-UHFFFAOYSA-N 0 3 295.347 -1.412 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cnn(C)c1 ZINC001374195532 887777671 /nfs/dbraw/zinc/77/76/71/887777671.db2.gz KUKZWUDMAXCDDA-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CN(C)C(C)=O ZINC001374195435 887779101 /nfs/dbraw/zinc/77/91/01/887779101.db2.gz KLGBGLSQTMNXCO-SECBINFHSA-N 0 3 272.349 -1.353 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)CNC(=O)OC ZINC001374202321 887780313 /nfs/dbraw/zinc/78/03/13/887780313.db2.gz MDXCOCULVDVLDT-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001374284226 887780489 /nfs/dbraw/zinc/78/04/89/887780489.db2.gz TVIWWPSTMBQZJX-MXWKQRLJSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cn(C)cn1 ZINC001374225176 887780518 /nfs/dbraw/zinc/78/05/18/887780518.db2.gz ZCXZEMGAOIAAAW-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)c1nnn(C)n1 ZINC001374271081 887780566 /nfs/dbraw/zinc/78/05/66/887780566.db2.gz KKGZKYATONJRFI-SECBINFHSA-N 0 3 295.347 -1.508 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001374230835 887780749 /nfs/dbraw/zinc/78/07/49/887780749.db2.gz BZWLHQSEPCQAMM-QMMMGPOBSA-N 0 3 281.316 -1.189 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001374208896 887780951 /nfs/dbraw/zinc/78/09/51/887780951.db2.gz VUBBHYOYHLMLJU-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001374225940 887780975 /nfs/dbraw/zinc/78/09/75/887780975.db2.gz OUUSTMMFLINXJX-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN CCNC(=O)CCC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001374254521 887781607 /nfs/dbraw/zinc/78/16/07/887781607.db2.gz MXYCGNZJYKETCA-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001374280119 887781806 /nfs/dbraw/zinc/78/18/06/887781806.db2.gz YVOYEPRLVOUQHM-PSASIEDQSA-N 0 3 297.359 -1.617 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001374289734 887781881 /nfs/dbraw/zinc/78/18/81/887781881.db2.gz XKKQILBKCJUJBJ-SFYZADRCSA-N 0 3 271.321 -2.150 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@H](C)CN[C@@H]1CCNC1=O ZINC001374220447 887782303 /nfs/dbraw/zinc/78/23/03/887782303.db2.gz MIVDOOQLABXUHN-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001374289737 887782428 /nfs/dbraw/zinc/78/24/28/887782428.db2.gz XKKQILBKCJUJBJ-YUMQZZPRSA-N 0 3 271.321 -2.150 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1nccnc1N ZINC001374210386 887782832 /nfs/dbraw/zinc/78/28/32/887782832.db2.gz ZXKJWJIYSXMWPF-BDAKNGLRSA-N 0 3 292.343 -1.003 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H](C)CC(N)=O ZINC001374266165 887783071 /nfs/dbraw/zinc/78/30/71/887783071.db2.gz DNXNLAFEZHVRQN-DTWKUNHWSA-N 0 3 272.349 -1.320 20 0 CAADHN CCNC(=O)CCC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001374254519 887783277 /nfs/dbraw/zinc/78/32/77/887783277.db2.gz MXYCGNZJYKETCA-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ccncn1 ZINC001374306018 887783387 /nfs/dbraw/zinc/78/33/87/887783387.db2.gz YZVOLRSIHFZHKR-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)c1nnn(C)n1 ZINC001374354109 887784234 /nfs/dbraw/zinc/78/42/34/887784234.db2.gz HUFJCUIFXUOJJG-MRVPVSSYSA-N 0 3 283.336 -1.571 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1c[nH]c(=O)cn1)C(C)C ZINC001374432870 887784914 /nfs/dbraw/zinc/78/49/14/887784914.db2.gz YVHQMMNKSIIWNO-SECBINFHSA-N 0 3 295.343 -1.140 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cccnc1C(N)=O ZINC001374328362 887785713 /nfs/dbraw/zinc/78/57/13/887785713.db2.gz PTTPTMWVZZCUQI-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN CC(C)[C@@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H]1CCNC1=O ZINC001374444229 887786103 /nfs/dbraw/zinc/78/61/03/887786103.db2.gz XZYMIWLITKGGHE-NXEZZACHSA-N 0 3 294.359 -1.034 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](NCC(N)=O)C(C)C ZINC001374413203 887786369 /nfs/dbraw/zinc/78/63/69/887786369.db2.gz WFNURVIQGSBSGL-JTQLQIEISA-N 0 3 272.349 -1.320 20 0 CAADHN CC(C)[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H](C)C(N)=O ZINC001374441420 887787151 /nfs/dbraw/zinc/78/71/51/887787151.db2.gz FGQZDAUVSQUVAK-IUCAKERBSA-N 0 3 282.348 -1.049 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CNC(C)=O)C(C)C ZINC001374406574 887788025 /nfs/dbraw/zinc/78/80/25/887788025.db2.gz MDDLOUTVMXMGEQ-SNVBAGLBSA-N 0 3 272.349 -1.401 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C(C)C ZINC001374432871 887788585 /nfs/dbraw/zinc/78/85/85/887788585.db2.gz YVHQMMNKSIIWNO-VIFPVBQESA-N 0 3 295.343 -1.140 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)N(C)C(=O)CCNC(N)=O ZINC001374319687 887788658 /nfs/dbraw/zinc/78/86/58/887788658.db2.gz GVMQPKVEJMADBE-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1CCOCC1)N1CCC1 ZINC001374565608 887789435 /nfs/dbraw/zinc/78/94/35/887789435.db2.gz KTPJWMRZEPIRNC-LBPRGKRZSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C(F)F ZINC001374563954 887792122 /nfs/dbraw/zinc/79/21/22/887792122.db2.gz CFDYFZOVPYFUDV-PHDIDXHHSA-N 0 3 296.274 -1.838 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C(F)F ZINC001374563955 887792354 /nfs/dbraw/zinc/79/23/54/887792354.db2.gz CFDYFZOVPYFUDV-RITPCOANSA-N 0 3 296.274 -1.838 20 0 CAADHN CCC(=O)NC[C@@H](O)CNCc1cc(=O)n(C)c(=O)n1C ZINC001374571495 887792950 /nfs/dbraw/zinc/79/29/50/887792950.db2.gz RFIGSIGPZVDNLO-JTQLQIEISA-N 0 3 298.343 -1.939 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C(C)C ZINC001374572315 887794489 /nfs/dbraw/zinc/79/44/89/887794489.db2.gz SXBZQFYRTPUZTK-QWRGUYRKSA-N 0 3 289.376 -1.045 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cnccn1 ZINC001374575542 887794694 /nfs/dbraw/zinc/79/46/94/887794694.db2.gz GGAVBYQXDZLQRJ-SNVBAGLBSA-N 0 3 295.343 -1.319 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001374581516 887795867 /nfs/dbraw/zinc/79/58/67/887795867.db2.gz DSSFVTUNXPOROO-UWVGGRQHSA-N 0 3 273.333 -1.774 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001374577963 887795083 /nfs/dbraw/zinc/79/50/83/887795083.db2.gz TTZYEXPHQZAACE-WPRPVWTQSA-N 0 3 288.348 -2.286 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)C1=COCCO1 ZINC001374576060 887795916 /nfs/dbraw/zinc/79/59/16/887795916.db2.gz HGZVMQXBSRLWRX-DTWKUNHWSA-N 0 3 285.300 -2.170 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCc1cncn1C ZINC001374572461 887795945 /nfs/dbraw/zinc/79/59/45/887795945.db2.gz LXLMDYASAQDDAQ-NSHDSACASA-N 0 3 283.332 -1.877 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001374581514 887795969 /nfs/dbraw/zinc/79/59/69/887795969.db2.gz DSSFVTUNXPOROO-NXEZZACHSA-N 0 3 273.333 -1.774 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cnccn2)n[nH]1 ZINC001374576560 887796133 /nfs/dbraw/zinc/79/61/33/887796133.db2.gz IXWLHPQGKHOMPT-SECBINFHSA-N 0 3 291.315 -1.216 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCc1cccnc1 ZINC001374572772 887796353 /nfs/dbraw/zinc/79/63/53/887796353.db2.gz NMLLXHYPGBKXIS-GFCCVEGCSA-N 0 3 280.328 -1.216 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)C1=COCCO1 ZINC001374576062 887796425 /nfs/dbraw/zinc/79/64/25/887796425.db2.gz HGZVMQXBSRLWRX-RKDXNWHRSA-N 0 3 285.300 -2.170 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)Cn1cccn1)NC1CC1 ZINC001374578330 887796596 /nfs/dbraw/zinc/79/65/96/887796596.db2.gz ANUQSYRWLGOICZ-LLVKDONJSA-N 0 3 295.343 -1.772 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1ccsc1 ZINC001374578584 887796794 /nfs/dbraw/zinc/79/67/94/887796794.db2.gz XMFAFEVNTCDVTI-SECBINFHSA-N 0 3 271.342 -1.157 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cnccn1 ZINC001374575541 887796832 /nfs/dbraw/zinc/79/68/32/887796832.db2.gz GGAVBYQXDZLQRJ-JTQLQIEISA-N 0 3 295.343 -1.319 20 0 CAADHN Cc1noc(C)c1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001374579494 887796921 /nfs/dbraw/zinc/79/69/21/887796921.db2.gz BROYNVUOSFRUQS-CBAPKCEASA-N 0 3 284.316 -1.154 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCc1cncn1C ZINC001374572460 887796978 /nfs/dbraw/zinc/79/69/78/887796978.db2.gz LXLMDYASAQDDAQ-LLVKDONJSA-N 0 3 283.332 -1.877 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001374580574 887797033 /nfs/dbraw/zinc/79/70/33/887797033.db2.gz JKHOIMIQCGJYLM-NSHDSACASA-N 0 3 297.359 -1.375 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001374577961 887797576 /nfs/dbraw/zinc/79/75/76/887797576.db2.gz TTZYEXPHQZAACE-WCBMZHEXSA-N 0 3 288.348 -2.286 20 0 CAADHN Cc1cnn(CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001374584052 887798486 /nfs/dbraw/zinc/79/84/86/887798486.db2.gz NIHXNZYCGHCQAI-VHSXEESVSA-N 0 3 283.332 -1.868 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCOC1)C1CC1 ZINC001374583567 887798544 /nfs/dbraw/zinc/79/85/44/887798544.db2.gz LOMAYAZGPKKXCI-PWSUYJOCSA-N 0 3 299.371 -1.290 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001374585029 887798580 /nfs/dbraw/zinc/79/85/80/887798580.db2.gz IWOBOXOFITYACE-WDEREUQCSA-N 0 3 295.343 -1.289 20 0 CAADHN CC(C)OCC(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001374583969 887798620 /nfs/dbraw/zinc/79/86/20/887798620.db2.gz MRWPABLZRFSCJR-WDEREUQCSA-N 0 3 287.360 -1.291 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001374584424 887798726 /nfs/dbraw/zinc/79/87/26/887798726.db2.gz XMJXHABAQDLZHB-GFCCVEGCSA-N 0 3 292.343 -1.117 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnn(CC)c1)C(N)=O ZINC001374585781 887798758 /nfs/dbraw/zinc/79/87/58/887798758.db2.gz DCELYOQAIDAJSA-MNOVXSKESA-N 0 3 297.359 -1.153 20 0 CAADHN Cc1cnn(CC(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)c1 ZINC001374584771 887799202 /nfs/dbraw/zinc/79/92/02/887799202.db2.gz PHWKGWXYLGUQBC-WDEREUQCSA-N 0 3 295.343 -1.853 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1ccn[nH]1 ZINC001374585561 887799696 /nfs/dbraw/zinc/79/96/96/887799696.db2.gz KBBDBMVLHGMGRY-BDAKNGLRSA-N 0 3 281.316 -1.631 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccon1)C(=O)N(C)C ZINC001374584950 887799751 /nfs/dbraw/zinc/79/97/51/887799751.db2.gz QFDDGWJTOMFTJM-BDAKNGLRSA-N 0 3 284.316 -1.168 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001374583424 887800057 /nfs/dbraw/zinc/80/00/57/887800057.db2.gz KSUCTRIBJCMOPE-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN Cc1ncncc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001374583456 887800168 /nfs/dbraw/zinc/80/01/68/887800168.db2.gz KXYBOHLYDREFLM-MWLCHTKSSA-N 0 3 293.327 -1.646 20 0 CAADHN Cc1cnn(CC(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)c1 ZINC001374584770 887800191 /nfs/dbraw/zinc/80/01/91/887800191.db2.gz PHWKGWXYLGUQBC-QWRGUYRKSA-N 0 3 295.343 -1.853 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cn1cnnn1)C(=O)N(C)C ZINC001374585190 887800327 /nfs/dbraw/zinc/80/03/27/887800327.db2.gz YCPRLIYAUSCBPO-IUCAKERBSA-N 0 3 299.335 -2.784 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n(C)n1 ZINC001374586362 887800346 /nfs/dbraw/zinc/80/03/46/887800346.db2.gz YDUNKJVUPWHMKR-NXEZZACHSA-N 0 3 295.343 -1.703 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccon1)C(=O)N(C)C ZINC001374584954 887800533 /nfs/dbraw/zinc/80/05/33/887800533.db2.gz QFDDGWJTOMFTJM-DTWKUNHWSA-N 0 3 284.316 -1.168 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ccon1)N1CCC1 ZINC001374583622 887800951 /nfs/dbraw/zinc/80/09/51/887800951.db2.gz LZPCZUWYUSONDU-SECBINFHSA-N 0 3 282.300 -1.413 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1ccn[nH]1 ZINC001374585563 887801049 /nfs/dbraw/zinc/80/10/49/887801049.db2.gz KBBDBMVLHGMGRY-DTWKUNHWSA-N 0 3 281.316 -1.631 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)Cn2cnnn2)C1 ZINC001374583173 887801181 /nfs/dbraw/zinc/80/11/81/887801181.db2.gz KAPKQOHOBBDEGZ-UHFFFAOYSA-N 0 3 295.347 -1.658 20 0 CAADHN Cc1ncncc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001374583440 887801358 /nfs/dbraw/zinc/80/13/58/887801358.db2.gz KXYBOHLYDREFLM-GXSJLCMTSA-N 0 3 293.327 -1.646 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1ccn[nH]1 ZINC001374585569 887801415 /nfs/dbraw/zinc/80/14/15/887801415.db2.gz KBBDBMVLHGMGRY-RKDXNWHRSA-N 0 3 281.316 -1.631 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ccn[nH]2)C1=O ZINC001374585593 887801486 /nfs/dbraw/zinc/80/14/86/887801486.db2.gz KGMCXOSXIWUROI-PSASIEDQSA-N 0 3 281.316 -1.679 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001374585027 887801678 /nfs/dbraw/zinc/80/16/78/887801678.db2.gz IWOBOXOFITYACE-QWRGUYRKSA-N 0 3 295.343 -1.289 20 0 CAADHN O=C(Cc1cc[nH]n1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001374589947 887803248 /nfs/dbraw/zinc/80/32/48/887803248.db2.gz SDBRZFKVQMERRM-QWRGUYRKSA-N 0 3 295.343 -1.703 20 0 CAADHN O=C(Cc1cc[nH]n1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001374589946 887803514 /nfs/dbraw/zinc/80/35/14/887803514.db2.gz SDBRZFKVQMERRM-MNOVXSKESA-N 0 3 295.343 -1.703 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCOC1 ZINC001374588772 887803818 /nfs/dbraw/zinc/80/38/18/887803818.db2.gz OEPFKLOADDTHPZ-GHMZBOCLSA-N 0 3 287.360 -1.384 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)C1=COCCC1 ZINC001374592110 887804120 /nfs/dbraw/zinc/80/41/20/887804120.db2.gz TYZRZQNHQLFMMP-QWRGUYRKSA-N 0 3 283.328 -1.364 20 0 CAADHN Cn1cnnc1CNC[C@@H](O)CNC(=O)[C@H]1CCCN1C ZINC001374592133 887804186 /nfs/dbraw/zinc/80/41/86/887804186.db2.gz UBYCTEKONIKRIW-GHMZBOCLSA-N 0 3 296.375 -1.524 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCOC1 ZINC001374588783 887804942 /nfs/dbraw/zinc/80/49/42/887804942.db2.gz OEPFKLOADDTHPZ-WDEREUQCSA-N 0 3 287.360 -1.384 20 0 CAADHN O=C(CNC(=O)C1CC1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001374588547 887804413 /nfs/dbraw/zinc/80/44/13/887804413.db2.gz UXCKQDSFZAMTNP-VHSXEESVSA-N 0 3 298.343 -2.532 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccn(C)c1 ZINC001374593326 887804437 /nfs/dbraw/zinc/80/44/37/887804437.db2.gz MPPMUOAJKBYLMS-KOLCDFICSA-N 0 3 282.344 -1.160 20 0 CAADHN CC[C@@H](OC)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001374593033 887804642 /nfs/dbraw/zinc/80/46/42/887804642.db2.gz WQEZKBYUIBHWGY-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)C1=COCCC1 ZINC001374592113 887804678 /nfs/dbraw/zinc/80/46/78/887804678.db2.gz TYZRZQNHQLFMMP-WDEREUQCSA-N 0 3 283.328 -1.364 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnsn1)C(N)=O ZINC001374589768 887804922 /nfs/dbraw/zinc/80/49/22/887804922.db2.gz YWDPTCFDIPIPQS-WDSKDSINSA-N 0 3 273.318 -1.908 20 0 CAADHN CC[C@@H](OC)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001374593037 887805000 /nfs/dbraw/zinc/80/50/00/887805000.db2.gz WQEZKBYUIBHWGY-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)C1=CCOCC1)C(N)=O ZINC001374592479 887805041 /nfs/dbraw/zinc/80/50/41/887805041.db2.gz DMWKCJOIGILRFA-GHMZBOCLSA-N 0 3 285.344 -1.336 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC ZINC001374591431 887805086 /nfs/dbraw/zinc/80/50/86/887805086.db2.gz RCIYGRABIOVAEB-DTWKUNHWSA-N 0 3 288.348 -2.286 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCOC1 ZINC001374590402 887805105 /nfs/dbraw/zinc/80/51/05/887805105.db2.gz LURFMYZCDDCHLE-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN O=C(Cc1cc[nH]n1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001374589948 887805128 /nfs/dbraw/zinc/80/51/28/887805128.db2.gz SDBRZFKVQMERRM-WDEREUQCSA-N 0 3 295.343 -1.703 20 0 CAADHN C[C@@](O)(CC(=O)NC[C@H](O)CNCC(N)=O)C1CC1 ZINC001374594196 887805483 /nfs/dbraw/zinc/80/54/83/887805483.db2.gz KMOKOHXRPKNXTB-BXKDBHETSA-N 0 3 273.333 -1.911 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)Cc1cc[nH]n1)NC1CC1 ZINC001374590465 887805593 /nfs/dbraw/zinc/80/55/93/887805593.db2.gz WCZSKNMPIZDPDD-NSHDSACASA-N 0 3 295.343 -1.703 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)[C@H]2CCCN2C)nn1 ZINC001374592335 887805671 /nfs/dbraw/zinc/80/56/71/887805671.db2.gz UOUQXSMJEKPQKZ-NWDGAFQWSA-N 0 3 296.375 -1.524 20 0 CAADHN CC(C)CNC(=O)CNC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001374588136 887806160 /nfs/dbraw/zinc/80/61/60/887806160.db2.gz SBMQPLDOBXEWLW-JTQLQIEISA-N 0 3 297.359 -1.138 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001374591975 887806204 /nfs/dbraw/zinc/80/62/04/887806204.db2.gz DDYQDIFCJTVGLS-VIFPVBQESA-N 0 3 296.327 -1.396 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ncc[nH]1)N1CCC1 ZINC001374600676 887807661 /nfs/dbraw/zinc/80/76/61/887807661.db2.gz NYLOZVFXWKEVKH-VIFPVBQESA-N 0 3 281.316 -1.678 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1nnc(C)o1 ZINC001374598697 887807914 /nfs/dbraw/zinc/80/79/14/887807914.db2.gz AAYMWZACPKAOBM-CBAPKCEASA-N 0 3 299.331 -1.878 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1cncnc1 ZINC001374597382 887808024 /nfs/dbraw/zinc/80/80/24/887808024.db2.gz XSQURSFTBMHWEE-QWRGUYRKSA-N 0 3 293.327 -1.565 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1cncnc1 ZINC001374597383 887808034 /nfs/dbraw/zinc/80/80/34/887808034.db2.gz XSQURSFTBMHWEE-WDEREUQCSA-N 0 3 293.327 -1.565 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1nccc(C)n1 ZINC001374598357 887808080 /nfs/dbraw/zinc/80/80/80/887808080.db2.gz JQGMIWWIRNJJPV-SNVBAGLBSA-N 0 3 295.343 -1.399 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)c1cncnc1 ZINC001374597381 887808092 /nfs/dbraw/zinc/80/80/92/887808092.db2.gz XSQURSFTBMHWEE-MNOVXSKESA-N 0 3 293.327 -1.565 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cncnc1)C(N)=O ZINC001374595320 887808146 /nfs/dbraw/zinc/80/81/46/887808146.db2.gz NYHLYEFZRMPWGI-NXEZZACHSA-N 0 3 281.316 -1.579 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001374596146 887808188 /nfs/dbraw/zinc/80/81/88/887808188.db2.gz YJOADVMHNMXPJT-YUMQZZPRSA-N 0 3 273.289 -2.508 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001374601569 887808294 /nfs/dbraw/zinc/80/82/94/887808294.db2.gz KEFPMWNRTWENJG-SFYZADRCSA-N 0 3 284.320 -2.241 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)C1=CCOCC1 ZINC001374596594 887808475 /nfs/dbraw/zinc/80/84/75/887808475.db2.gz UEYAGVRTLOEBSR-LBPRGKRZSA-N 0 3 299.371 -1.122 20 0 CAADHN Cc1ccnc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001374599738 887808612 /nfs/dbraw/zinc/80/86/12/887808612.db2.gz NRQQIDJNKOEBEQ-IUCAKERBSA-N 0 3 281.316 -1.661 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001374595503 887808772 /nfs/dbraw/zinc/80/87/72/887808772.db2.gz VZJKEYHFIHSLHD-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN O=C(Cc1ccoc1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001374596866 887808860 /nfs/dbraw/zinc/80/88/60/887808860.db2.gz VKOLRQLXNYSAEC-MNOVXSKESA-N 0 3 281.312 -1.223 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1cncnc1 ZINC001374597380 887808874 /nfs/dbraw/zinc/80/88/74/887808874.db2.gz XSQURSFTBMHWEE-GHMZBOCLSA-N 0 3 293.327 -1.565 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(OC)no1 ZINC001374597996 887809087 /nfs/dbraw/zinc/80/90/87/887809087.db2.gz ZPMONGICTDVLDZ-SSDOTTSWSA-N 0 3 286.288 -1.891 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1COC(=O)C1 ZINC001374596142 887809439 /nfs/dbraw/zinc/80/94/39/887809439.db2.gz YJOADVMHNMXPJT-JGVFFNPUSA-N 0 3 273.289 -2.508 20 0 CAADHN O=C(Cc1ccoc1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001374596867 887809616 /nfs/dbraw/zinc/80/96/16/887809616.db2.gz VKOLRQLXNYSAEC-QWRGUYRKSA-N 0 3 281.312 -1.223 20 0 CAADHN Cc1ccnc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001374599739 887809633 /nfs/dbraw/zinc/80/96/33/887809633.db2.gz NRQQIDJNKOEBEQ-RKDXNWHRSA-N 0 3 281.316 -1.661 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1nnc(C)o1 ZINC001374598698 887810159 /nfs/dbraw/zinc/81/01/59/887810159.db2.gz AAYMWZACPKAOBM-IONNQARKSA-N 0 3 299.331 -1.878 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)co1 ZINC001374596627 887810410 /nfs/dbraw/zinc/81/04/10/887810410.db2.gz UOQPOINXWWZCBI-VHSXEESVSA-N 0 3 296.327 -1.058 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CC1(F)F)N1CCC1 ZINC001374599411 887810448 /nfs/dbraw/zinc/81/04/48/887810448.db2.gz INCIWDPWGMJJPJ-IUCAKERBSA-N 0 3 291.298 -1.059 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001374611075 887811926 /nfs/dbraw/zinc/81/19/26/887811926.db2.gz HXEMVTDMVHUZJZ-MRVPVSSYSA-N 0 3 281.316 -2.005 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001374604345 887811988 /nfs/dbraw/zinc/81/19/88/887811988.db2.gz QRIHGEHKNZYBJB-SECBINFHSA-N 0 3 298.347 -2.026 20 0 CAADHN CC[C@H](F)CNC[C@H](O)CNC(=O)C1CS(=O)(=O)C1 ZINC001374611255 887812225 /nfs/dbraw/zinc/81/22/25/887812225.db2.gz ZYAPEOWXXHMWJV-UWVGGRQHSA-N 0 3 296.364 -1.154 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@]12C[C@H]1COC2)NC1CC1 ZINC001374606076 887812302 /nfs/dbraw/zinc/81/23/02/887812302.db2.gz RBEJQLBPCGMFCC-CHIMOYNISA-N 0 3 297.355 -1.632 20 0 CAADHN CCc1c[nH]c(CC(=O)NC[C@H](O)CNCC(=O)NC)n1 ZINC001374614539 887812427 /nfs/dbraw/zinc/81/24/27/887812427.db2.gz GIGSHTLLPBHEKI-SNVBAGLBSA-N 0 3 297.359 -1.673 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1cncs1)C(N)=O ZINC001374613783 887812533 /nfs/dbraw/zinc/81/25/33/887812533.db2.gz CTZYMINIOCYYLO-YUMQZZPRSA-N 0 3 286.357 -1.374 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001374604136 887812698 /nfs/dbraw/zinc/81/26/98/887812698.db2.gz XBYYREADXXHDJC-VHSXEESVSA-N 0 3 297.359 -1.125 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnn2c1CCC2)C(N)=O ZINC001374613501 887812793 /nfs/dbraw/zinc/81/27/93/887812793.db2.gz UHMVRJMTDUSEEU-IUCAKERBSA-N 0 3 295.343 -1.617 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnn2c1CCC2 ZINC001374611077 887813497 /nfs/dbraw/zinc/81/34/97/887813497.db2.gz HXEMVTDMVHUZJZ-QMMMGPOBSA-N 0 3 281.316 -2.005 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001375154776 887866467 /nfs/dbraw/zinc/86/64/67/887866467.db2.gz QCDRQGGYRLMTMA-BDAKNGLRSA-N 0 3 279.362 -1.893 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)ncn1 ZINC001374604220 887814176 /nfs/dbraw/zinc/81/41/76/887814176.db2.gz KHNGOFVKFUGZMV-SFYZADRCSA-N 0 3 297.315 -1.961 20 0 CAADHN Cc1cc(=O)oc(C)c1C(=O)NC[C@H](O)CNCC(N)=O ZINC001374631118 887815371 /nfs/dbraw/zinc/81/53/71/887815371.db2.gz UAXGHKXQUPVXPZ-SECBINFHSA-N 0 3 297.311 -1.578 20 0 CAADHN CCc1nn(C)cc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001374615218 887815383 /nfs/dbraw/zinc/81/53/83/887815383.db2.gz IXDFZKHYDPFVHW-BDAKNGLRSA-N 0 3 297.359 -1.463 20 0 CAADHN CN(C)Cc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)no1 ZINC001374623061 887815436 /nfs/dbraw/zinc/81/54/36/887815436.db2.gz IFUWIBTXRGASBJ-QMMMGPOBSA-N 0 3 299.331 -2.098 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001374631040 887815497 /nfs/dbraw/zinc/81/54/97/887815497.db2.gz OYTCQJACDLWDGT-VYUIOLGVSA-N 0 3 298.343 -1.562 20 0 CAADHN CCc1nn(C)cc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001374615222 887815643 /nfs/dbraw/zinc/81/56/43/887815643.db2.gz IXDFZKHYDPFVHW-IUCAKERBSA-N 0 3 297.359 -1.463 20 0 CAADHN CC(C)(C(=O)NC[C@@H](O)CNCC(N)=O)c1cccnc1 ZINC001374627508 887815752 /nfs/dbraw/zinc/81/57/52/887815752.db2.gz XZPNFPYZGPIIAC-NSHDSACASA-N 0 3 294.355 -1.089 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C(C)(C)COC ZINC001374623883 887815860 /nfs/dbraw/zinc/81/58/60/887815860.db2.gz FHXOUNSQYIBWMA-NXEZZACHSA-N 0 3 289.376 -1.140 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001374623137 887816365 /nfs/dbraw/zinc/81/63/65/887816365.db2.gz JBOHJSIRFXPSCT-KWQFWETISA-N 0 3 295.343 -1.459 20 0 CAADHN Cc1cc(C)n(CC(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001374629840 887816610 /nfs/dbraw/zinc/81/66/10/887816610.db2.gz PIARFMMEULDYEV-SNVBAGLBSA-N 0 3 283.332 -1.948 20 0 CAADHN Cc1cc(=O)oc(C)c1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001374631123 887816930 /nfs/dbraw/zinc/81/69/30/887816930.db2.gz UAXGHKXQUPVXPZ-VIFPVBQESA-N 0 3 297.311 -1.578 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(=O)n(C)c1 ZINC001374624078 887817209 /nfs/dbraw/zinc/81/72/09/887817209.db2.gz LRTOGMZIKOUCJV-JTQLQIEISA-N 0 3 296.327 -2.188 20 0 CAADHN CC(C)(C(=O)NC[C@H](O)CNCC(N)=O)c1cccnc1 ZINC001374627496 887817241 /nfs/dbraw/zinc/81/72/41/887817241.db2.gz XZPNFPYZGPIIAC-LLVKDONJSA-N 0 3 294.355 -1.089 20 0 CAADHN Cc1cc(C)n(CC(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001374629835 887817326 /nfs/dbraw/zinc/81/73/26/887817326.db2.gz PIARFMMEULDYEV-JTQLQIEISA-N 0 3 283.332 -1.948 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccnnc1C)C(N)=O ZINC001374632515 887818773 /nfs/dbraw/zinc/81/87/73/887818773.db2.gz XCKYNAYXVGRVEM-GXSJLCMTSA-N 0 3 295.343 -1.271 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001374635409 887818800 /nfs/dbraw/zinc/81/88/00/887818800.db2.gz GIWLLQOLYOOEPD-FBDQPXRJSA-N 0 3 283.328 -2.166 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccnnc1C)C(N)=O ZINC001374632539 887818823 /nfs/dbraw/zinc/81/88/23/887818823.db2.gz XCKYNAYXVGRVEM-ONGXEEELSA-N 0 3 295.343 -1.271 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001374635415 887819245 /nfs/dbraw/zinc/81/92/45/887819245.db2.gz GIWLLQOLYOOEPD-QUARPLMYSA-N 0 3 283.328 -2.166 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1ncnn1C ZINC001374636289 887819629 /nfs/dbraw/zinc/81/96/29/887819629.db2.gz ZIDXBFBRSLMNDT-GHMZBOCLSA-N 0 3 296.375 -1.524 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnc2n1CCCC2 ZINC001374636083 887820172 /nfs/dbraw/zinc/82/01/72/887820172.db2.gz JWPCDWBOJJSNPE-SECBINFHSA-N 0 3 295.343 -1.615 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]nc1C ZINC001374637463 887820429 /nfs/dbraw/zinc/82/04/29/887820429.db2.gz MXWKNZSUUVGLCT-SNVBAGLBSA-N 0 3 297.359 -1.075 20 0 CAADHN Cc1nn[nH]c1C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001374634695 887820948 /nfs/dbraw/zinc/82/09/48/887820948.db2.gz FWMFXHJUDALGNM-SNVBAGLBSA-N 0 3 293.331 -1.273 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1ncccc1F)C(N)=O ZINC001374636477 887821421 /nfs/dbraw/zinc/82/14/21/887821421.db2.gz KMYPSUJMWMTAIN-DTWKUNHWSA-N 0 3 298.318 -1.296 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1ncccc1F)C(N)=O ZINC001374636486 887821443 /nfs/dbraw/zinc/82/14/43/887821443.db2.gz KMYPSUJMWMTAIN-RKDXNWHRSA-N 0 3 298.318 -1.296 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccnnc1C)C(N)=O ZINC001374632528 887821613 /nfs/dbraw/zinc/82/16/13/887821613.db2.gz XCKYNAYXVGRVEM-KOLCDFICSA-N 0 3 295.343 -1.271 20 0 CAADHN O=C(CCc1cnn[nH]1)NC[C@H](O)CNCc1ccon1 ZINC001374652908 887822743 /nfs/dbraw/zinc/82/27/43/887822743.db2.gz PHMHUUYRIBSDSS-LLVKDONJSA-N 0 3 294.315 -1.008 20 0 CAADHN COc1cncc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001374652107 887822836 /nfs/dbraw/zinc/82/28/36/887822836.db2.gz OIFQCORQBYLDCC-JGVFFNPUSA-N 0 3 297.315 -1.961 20 0 CAADHN O=C(Cc1cscn1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001374650574 887823154 /nfs/dbraw/zinc/82/31/54/887823154.db2.gz JJZBWZKXJODRFR-NXEZZACHSA-N 0 3 298.368 -1.359 20 0 CAADHN CC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001374656266 887823472 /nfs/dbraw/zinc/82/34/72/887823472.db2.gz YNHBSYGLORAWBL-HRDYMLBCSA-N 0 3 286.332 -1.706 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1n[nH]cc1F)C(N)=O ZINC001374646449 887824559 /nfs/dbraw/zinc/82/45/59/887824559.db2.gz OSRLFBSWGYCXQB-HTRCEHHLSA-N 0 3 287.295 -1.507 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001374643110 887824830 /nfs/dbraw/zinc/82/48/30/887824830.db2.gz QDCIVIDUVDMXPC-PSASIEDQSA-N 0 3 282.300 -1.448 20 0 CAADHN CC(C)n1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001374652727 887824849 /nfs/dbraw/zinc/82/48/49/887824849.db2.gz QKEYXRBMJWQRAC-VIFPVBQESA-N 0 3 283.332 -1.370 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001374644078 887825017 /nfs/dbraw/zinc/82/50/17/887825017.db2.gz ULEYOUVCXGTUMI-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1(CF)CCC1 ZINC001374656385 887825048 /nfs/dbraw/zinc/82/50/48/887825048.db2.gz YTPOBBUAJYMGDZ-VIFPVBQESA-N 0 3 275.324 -1.061 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1n[nH]cc1F)C(N)=O ZINC001374646456 887825247 /nfs/dbraw/zinc/82/52/47/887825247.db2.gz OSRLFBSWGYCXQB-XPUUQOCRSA-N 0 3 287.295 -1.507 20 0 CAADHN CC[C@H](C)NC(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001374662072 887826221 /nfs/dbraw/zinc/82/62/21/887826221.db2.gz YTLODDUGKVJMOY-IUCAKERBSA-N 0 3 299.331 -1.335 20 0 CAADHN COc1ncc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001374664194 887826255 /nfs/dbraw/zinc/82/62/55/887826255.db2.gz XNOFKTXVUFGFSD-IONNQARKSA-N 0 3 297.315 -1.961 20 0 CAADHN COCc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)cc1 ZINC001374671204 887826430 /nfs/dbraw/zinc/82/64/30/887826430.db2.gz BMSYGLAWTOODIH-GFCCVEGCSA-N 0 3 295.339 -1.001 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)no1 ZINC001374670992 887826528 /nfs/dbraw/zinc/82/65/28/887826528.db2.gz NOMMKLVCQMZPMJ-ZETCQYMHSA-N 0 3 270.289 -1.597 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cccnn2)C1=O ZINC001374659435 887826591 /nfs/dbraw/zinc/82/65/91/887826591.db2.gz OZYJCAIJCMXLKZ-MWLCHTKSSA-N 0 3 293.327 -1.612 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1ncc[nH]1)C(N)=O ZINC001374658143 887826756 /nfs/dbraw/zinc/82/67/56/887826756.db2.gz KVJXONRVTVCMGP-IUCAKERBSA-N 0 3 283.332 -1.717 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001374661187 887826868 /nfs/dbraw/zinc/82/68/68/887826868.db2.gz IUGGLSHLQHBMNA-HTQZYQBOSA-N 0 3 270.289 -1.463 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001374665739 887827007 /nfs/dbraw/zinc/82/70/07/887827007.db2.gz HHSYTKDMXZHFDE-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1ncccn1 ZINC001374659356 887827273 /nfs/dbraw/zinc/82/72/73/887827273.db2.gz OOPVEWCRFVAUDD-SECBINFHSA-N 0 3 281.316 -2.039 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CNCC(N)=O)no1 ZINC001374670963 887827326 /nfs/dbraw/zinc/82/73/26/887827326.db2.gz NOMMKLVCQMZPMJ-SSDOTTSWSA-N 0 3 270.289 -1.597 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001374661189 887827358 /nfs/dbraw/zinc/82/73/58/887827358.db2.gz IUGGLSHLQHBMNA-JGVFFNPUSA-N 0 3 270.289 -1.463 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)CNC(=O)NC)C1 ZINC001374669785 887827448 /nfs/dbraw/zinc/82/74/48/887827448.db2.gz CXSBUROXHNUAQR-UHFFFAOYSA-N 0 3 299.375 -1.416 20 0 CAADHN O=C(Cc1ncc[nH]1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001374663237 887827487 /nfs/dbraw/zinc/82/74/87/887827487.db2.gz YRPPAVJCHUFVLQ-RKDXNWHRSA-N 0 3 281.316 -2.093 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@]1(C)CCOC1 ZINC001374657448 887827505 /nfs/dbraw/zinc/82/75/05/887827505.db2.gz JJQYMNHIWARBNJ-JOYOIKCWSA-N 0 3 273.333 -1.774 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cccn2ccnc12 ZINC001374657133 887827665 /nfs/dbraw/zinc/82/76/65/887827665.db2.gz OYXRTIJBLYXLPC-VIFPVBQESA-N 0 3 291.311 -1.500 20 0 CAADHN COCc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)cc1 ZINC001374671218 887827697 /nfs/dbraw/zinc/82/76/97/887827697.db2.gz BMSYGLAWTOODIH-LBPRGKRZSA-N 0 3 295.339 -1.001 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001374668257 887827789 /nfs/dbraw/zinc/82/77/89/887827789.db2.gz ZKFJMDLYWJLDRG-YUMQZZPRSA-N 0 3 270.289 -1.463 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnn2ccccc12 ZINC001374661072 887827852 /nfs/dbraw/zinc/82/78/52/887827852.db2.gz SYGAMUCPOCTALP-VIFPVBQESA-N 0 3 291.311 -1.500 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CCn1cnnn1 ZINC001374663141 887827956 /nfs/dbraw/zinc/82/79/56/887827956.db2.gz XUMLYULTVOSSOV-VIFPVBQESA-N 0 3 299.335 -2.782 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1cnccn1 ZINC001374662738 887827988 /nfs/dbraw/zinc/82/79/88/887827988.db2.gz PNVBCGOJTMFVRS-NSHDSACASA-N 0 3 295.343 -1.778 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1ccncn1 ZINC001374661920 887828045 /nfs/dbraw/zinc/82/80/45/887828045.db2.gz XPSAKYYLCVRORJ-SNVBAGLBSA-N 0 3 295.343 -1.317 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccc2cccnn21 ZINC001374658208 887828316 /nfs/dbraw/zinc/82/83/16/887828316.db2.gz RGVZTVVWOFGSKU-SNVBAGLBSA-N 0 3 291.311 -1.500 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1ccncn1 ZINC001374661919 887828399 /nfs/dbraw/zinc/82/83/99/887828399.db2.gz XPSAKYYLCVRORJ-JTQLQIEISA-N 0 3 295.343 -1.317 20 0 CAADHN COc1ncc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001374664199 887828482 /nfs/dbraw/zinc/82/84/82/887828482.db2.gz XNOFKTXVUFGFSD-VXNVDRBHSA-N 0 3 297.315 -1.961 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnn2ccccc12 ZINC001374661071 887828667 /nfs/dbraw/zinc/82/86/67/887828667.db2.gz SYGAMUCPOCTALP-SECBINFHSA-N 0 3 291.311 -1.500 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001374661191 887829288 /nfs/dbraw/zinc/82/92/88/887829288.db2.gz IUGGLSHLQHBMNA-SFYZADRCSA-N 0 3 270.289 -1.463 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1oncc1C ZINC001374661293 887829348 /nfs/dbraw/zinc/82/93/48/887829348.db2.gz JPEISQQIHCIGAM-MRVPVSSYSA-N 0 3 270.289 -1.591 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@]1(C)CCOC1 ZINC001374657453 887829523 /nfs/dbraw/zinc/82/95/23/887829523.db2.gz JJQYMNHIWARBNJ-SKDRFNHKSA-N 0 3 273.333 -1.774 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)C ZINC001374673833 887830553 /nfs/dbraw/zinc/83/05/53/887830553.db2.gz PTYXGJYTWSBPKH-MRVPVSSYSA-N 0 3 288.348 -1.445 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)Cn2cncn2)C1=O ZINC001374683387 887830532 /nfs/dbraw/zinc/83/05/32/887830532.db2.gz UFYJMORQOJDDAS-ZJUUUORDSA-N 0 3 296.331 -2.425 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001374687087 887830663 /nfs/dbraw/zinc/83/06/63/887830663.db2.gz YZTSVQIUXQWXMI-SNVBAGLBSA-N 0 3 297.359 -1.373 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1[nH]cnc1C ZINC001374676737 887830755 /nfs/dbraw/zinc/83/07/55/887830755.db2.gz ISCRCLDLJCELGY-NXEZZACHSA-N 0 3 297.359 -1.538 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001374674856 887830781 /nfs/dbraw/zinc/83/07/81/887830781.db2.gz HILYOVWXLNLWSP-IUCAKERBSA-N 0 3 297.315 -1.711 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCCOC1 ZINC001374683949 887831016 /nfs/dbraw/zinc/83/10/16/887831016.db2.gz KJJOGSBWKSXATK-GHMZBOCLSA-N 0 3 287.360 -1.384 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001374684941 887831346 /nfs/dbraw/zinc/83/13/46/887831346.db2.gz YECZLDATJLHOOB-VHSXEESVSA-N 0 3 296.327 -1.269 20 0 CAADHN Cc1nccc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001374681761 887831764 /nfs/dbraw/zinc/83/17/64/887831764.db2.gz FSMCNZAISOXNSF-VHSXEESVSA-N 0 3 293.327 -1.646 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@H](O)CN[C@H](CC)C(N)=O ZINC001374676846 887831987 /nfs/dbraw/zinc/83/19/87/887831987.db2.gz JDQZIVOJPNAKAA-PSASIEDQSA-N 0 3 297.359 -1.084 20 0 CAADHN Cn1cc(CCC(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001374686282 887832342 /nfs/dbraw/zinc/83/23/42/887832342.db2.gz SRAUPDCOCXIURY-SNVBAGLBSA-N 0 3 283.332 -2.095 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnn2cc[nH]c12)C(N)=O ZINC001374678378 887832569 /nfs/dbraw/zinc/83/25/69/887832569.db2.gz NAKJVHDFTFJDJW-SFYZADRCSA-N 0 3 294.315 -1.784 20 0 CAADHN Cc1nccc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001374681757 887832631 /nfs/dbraw/zinc/83/26/31/887832631.db2.gz FSMCNZAISOXNSF-NXEZZACHSA-N 0 3 293.327 -1.646 20 0 CAADHN O=C(Cn1cncn1)NC[C@@H](O)CNCc1cccnc1 ZINC001374682558 887832986 /nfs/dbraw/zinc/83/29/86/887832986.db2.gz RLJMZYQDSGTTEW-LBPRGKRZSA-N 0 3 290.327 -1.060 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@H](CC)C(N)=O ZINC001374676854 887833533 /nfs/dbraw/zinc/83/35/33/887833533.db2.gz JDQZIVOJPNAKAA-WCBMZHEXSA-N 0 3 297.359 -1.084 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)Cn2cncn2)C1=O ZINC001374683376 887833657 /nfs/dbraw/zinc/83/36/57/887833657.db2.gz UFYJMORQOJDDAS-UWVGGRQHSA-N 0 3 296.331 -2.425 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)n1 ZINC001374680201 887834116 /nfs/dbraw/zinc/83/41/16/887834116.db2.gz AVJOXYAZYGETMO-ZJUUUORDSA-N 0 3 295.343 -1.621 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)CNC(=O)NC)C1 ZINC001374729207 887835412 /nfs/dbraw/zinc/83/54/12/887835412.db2.gz DRLBNDURCZSJFI-UHFFFAOYSA-N 0 3 299.375 -1.416 20 0 CAADHN CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)Cn1cnnn1 ZINC001374710596 887835601 /nfs/dbraw/zinc/83/56/01/887835601.db2.gz VPGVOFYKDOJKER-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CCn1ccnn1 ZINC001374713152 887835695 /nfs/dbraw/zinc/83/56/95/887835695.db2.gz QXJQPTGDKOTZSV-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN COCC(=O)N[C@H](C)CNCC(=O)NC[C@H]1CCOC1 ZINC001374722376 887836193 /nfs/dbraw/zinc/83/61/93/887836193.db2.gz SQLWOZSPRVTJTN-GHMZBOCLSA-N 0 3 287.360 -1.120 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)Cn2ncnn2)C1)N(C)C ZINC001374716071 887836349 /nfs/dbraw/zinc/83/63/49/887836349.db2.gz AYANLDZMRRRMQZ-JTQLQIEISA-N 0 3 295.347 -1.660 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)C1CN(C(C)=O)C1 ZINC001374708171 887836804 /nfs/dbraw/zinc/83/68/04/887836804.db2.gz DRKOQGGFCPHYSS-SECBINFHSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(=O)[nH]n1 ZINC001374725539 887836615 /nfs/dbraw/zinc/83/66/15/887836615.db2.gz FTVGJFMRGKZTRX-SFYZADRCSA-N 0 3 279.300 -1.221 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CCNC(=O)NC ZINC001374714811 887836728 /nfs/dbraw/zinc/83/67/28/887836728.db2.gz VDGKQIPXCZAUMI-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)Cn1cnnn1 ZINC001374710593 887837049 /nfs/dbraw/zinc/83/70/49/887837049.db2.gz VPGVOFYKDOJKER-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)[C@H]2CNC(=O)N2)C1)N(C)C ZINC001374719664 887837265 /nfs/dbraw/zinc/83/72/65/887837265.db2.gz WQVOUGXVMSGJPF-NXEZZACHSA-N 0 3 297.359 -1.665 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001374723980 887837299 /nfs/dbraw/zinc/83/72/99/887837299.db2.gz VIYARURCTCNVHH-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CNC(=O)OC ZINC001374707885 887837354 /nfs/dbraw/zinc/83/73/54/887837354.db2.gz OADNDPNUCLOQSV-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)c1nnn(C)n1 ZINC001374719039 887837393 /nfs/dbraw/zinc/83/73/93/887837393.db2.gz FZCUHDWFEXUNEX-QMMMGPOBSA-N 0 3 283.336 -1.604 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1COC(=O)N1 ZINC001374713541 887837611 /nfs/dbraw/zinc/83/76/11/887837611.db2.gz SXCNSINUPRSTJQ-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CCC(=O)N1 ZINC001374711956 887837627 /nfs/dbraw/zinc/83/76/27/887837627.db2.gz OAUOKYHDHZIYFH-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001374723984 887837676 /nfs/dbraw/zinc/83/76/76/887837676.db2.gz VIYARURCTCNVHH-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN CCOCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001374727547 887837849 /nfs/dbraw/zinc/83/78/49/887837849.db2.gz UERRVQLSANPZDU-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001374722126 887837900 /nfs/dbraw/zinc/83/79/00/887837900.db2.gz OVKFLVQXWXGYEZ-RKDXNWHRSA-N 0 3 285.348 -1.678 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN1CCCC1=O ZINC001374724774 887838038 /nfs/dbraw/zinc/83/80/38/887838038.db2.gz BFWFBWIDLMTMMQ-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CNC(=O)OC ZINC001374707884 887838062 /nfs/dbraw/zinc/83/80/62/887838062.db2.gz OADNDPNUCLOQSV-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN Cc1cc(OCC(=O)N[C@H](C)CNCC(N)=O)no1 ZINC001374767851 887839147 /nfs/dbraw/zinc/83/91/47/887839147.db2.gz GWGCIORFRADISO-SSDOTTSWSA-N 0 3 270.289 -1.059 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001374754639 887839834 /nfs/dbraw/zinc/83/98/34/887839834.db2.gz OVYNLQMLPGQUHW-KXUCPTDWSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CNCc1cncn1C ZINC001374766641 887840669 /nfs/dbraw/zinc/84/06/69/887840669.db2.gz WFKBFEUJPHEKMI-SECBINFHSA-N 0 3 282.348 -1.057 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCS(C)(=O)=O ZINC001374774760 887840733 /nfs/dbraw/zinc/84/07/33/887840733.db2.gz KVEUTDUPLWNTDO-HTQZYQBOSA-N 0 3 279.362 -1.611 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001374756142 887840829 /nfs/dbraw/zinc/84/08/29/887840829.db2.gz UGGGETVJAFMRCA-MRVPVSSYSA-N 0 3 270.333 -1.695 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC ZINC001374764917 887841263 /nfs/dbraw/zinc/84/12/63/887841263.db2.gz GAAFEPCKEKTTJM-HTQZYQBOSA-N 0 3 273.337 -1.856 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCS(C)(=O)=O ZINC001374774761 887841297 /nfs/dbraw/zinc/84/12/97/887841297.db2.gz KVEUTDUPLWNTDO-SFYZADRCSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CS(C)(=O)=O ZINC001374737601 887841542 /nfs/dbraw/zinc/84/15/42/887841542.db2.gz LGCVNKYZASXRMB-MRVPVSSYSA-N 0 3 279.362 -1.787 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC1CC1 ZINC001374764388 887841765 /nfs/dbraw/zinc/84/17/65/887841765.db2.gz CIMAGIKATCNANU-RKDXNWHRSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001374797712 887843183 /nfs/dbraw/zinc/84/31/83/887843183.db2.gz DCFUOCUWRYSVJL-BDAKNGLRSA-N 0 3 285.348 -1.808 20 0 CAADHN CCCC[C@H](NC[C@@H](C)NC(=O)c1nnn(C)n1)C(N)=O ZINC001374799823 887843331 /nfs/dbraw/zinc/84/33/31/887843331.db2.gz PGCFEBPUXRLMSL-BDAKNGLRSA-N 0 3 297.363 -1.038 20 0 CAADHN Cc1nn(C)c(=O)c(C(=O)N[C@H](C)CNCC(N)=O)c1C ZINC001374795340 887843782 /nfs/dbraw/zinc/84/37/82/887843782.db2.gz IYNBXGBPHYYWME-SSDOTTSWSA-N 0 3 295.343 -1.410 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cnc2cccnn21 ZINC001374818878 887844108 /nfs/dbraw/zinc/84/41/08/887844108.db2.gz DEKNKJZAQCJEGC-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)COCC(F)F ZINC001374788857 887844127 /nfs/dbraw/zinc/84/41/27/887844127.db2.gz RVORJOCBJRRNSI-ZCFIWIBFSA-N 0 3 296.274 -1.443 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001374814296 887844309 /nfs/dbraw/zinc/84/43/09/887844309.db2.gz LWUPDYYIWJGYEJ-BBBLOLIVSA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1cccc(=O)n1C ZINC001374808640 887844673 /nfs/dbraw/zinc/84/46/73/887844673.db2.gz SEZOFEQFODEDQA-ZJUUUORDSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cc(CN(C)C)on1 ZINC001374779424 887844772 /nfs/dbraw/zinc/84/47/72/887844772.db2.gz NWLPOOKISUINAZ-MRVPVSSYSA-N 0 3 283.332 -1.071 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001374797736 887844913 /nfs/dbraw/zinc/84/49/13/887844913.db2.gz DCFUOCUWRYSVJL-RKDXNWHRSA-N 0 3 285.348 -1.808 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccc(=O)n(C)c1 ZINC001374780116 887844965 /nfs/dbraw/zinc/84/49/65/887844965.db2.gz JBHWDSIBEZHISR-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN Cc1ccn(CC(=O)N[C@H](C)CNCC(N)=O)c(=O)c1 ZINC001374816353 887845336 /nfs/dbraw/zinc/84/53/36/887845336.db2.gz FMEOLORHTMVSRQ-SNVBAGLBSA-N 0 3 280.328 -1.264 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001374821184 887845636 /nfs/dbraw/zinc/84/56/36/887845636.db2.gz CRKPUDPGISKGCP-HTQZYQBOSA-N 0 3 272.349 -1.131 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1COC(=O)N1 ZINC001374778780 887845883 /nfs/dbraw/zinc/84/58/83/887845883.db2.gz HUXYLXQZCPCVPW-RKDXNWHRSA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)Cn1ccccc1=O ZINC001374841332 887846573 /nfs/dbraw/zinc/84/65/73/887846573.db2.gz GZTRYNKBOLRBMF-GHMZBOCLSA-N 0 3 292.339 -1.169 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001374876553 887846911 /nfs/dbraw/zinc/84/69/11/887846911.db2.gz QKIPJICGOJIGSQ-ZETCQYMHSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1nccnc1N ZINC001374871819 887847673 /nfs/dbraw/zinc/84/76/73/887847673.db2.gz BGERIALQFBJELU-YUMQZZPRSA-N 0 3 278.316 -1.345 20 0 CAADHN C[C@H](C[NH2+][C@H]1CCCNC1=O)NC(=O)Cc1nnc[n-]1 ZINC001374828282 887847709 /nfs/dbraw/zinc/84/77/09/887847709.db2.gz GKCZVPQDFCXTLG-BDAKNGLRSA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H](C)NC(N)=O ZINC001374878773 887847974 /nfs/dbraw/zinc/84/79/74/887847974.db2.gz LZRYNWBNOMQPDQ-IUCAKERBSA-N 0 3 299.375 -1.242 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cn[nH]c1 ZINC001374866305 887848022 /nfs/dbraw/zinc/84/80/22/887848022.db2.gz DKGHSUNUMKXAGW-ZETCQYMHSA-N 0 3 282.304 -1.427 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)c1nccnc1N ZINC001374871943 887848480 /nfs/dbraw/zinc/84/84/80/887848480.db2.gz DSWUTMBUCCDKMZ-VIFPVBQESA-N 0 3 292.343 -1.001 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)Cn1ccccc1=O ZINC001374841333 887848666 /nfs/dbraw/zinc/84/86/66/887848666.db2.gz GZTRYNKBOLRBMF-MNOVXSKESA-N 0 3 292.339 -1.169 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001374871434 887848692 /nfs/dbraw/zinc/84/86/92/887848692.db2.gz IXUITXYDSVOVHU-JQWIXIFHSA-N 0 3 298.387 -1.310 20 0 CAADHN C[C@H](C[NH2+][C@@H]1CCCNC1=O)NC(=O)Cc1nnc[n-]1 ZINC001374828283 887849058 /nfs/dbraw/zinc/84/90/58/887849058.db2.gz GKCZVPQDFCXTLG-RKDXNWHRSA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCCCO1 ZINC001374879020 887849114 /nfs/dbraw/zinc/84/91/14/887849114.db2.gz PJZIDPSNXNLICH-IUCAKERBSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CCCS(C)(=O)=O ZINC001374823111 887849358 /nfs/dbraw/zinc/84/93/58/887849358.db2.gz XYCYGNPKBOBRNC-MRVPVSSYSA-N 0 3 279.362 -1.609 20 0 CAADHN CNC(=O)c1ccc(C(=O)N[C@H](C)CNCC(N)=O)cn1 ZINC001374834169 887849402 /nfs/dbraw/zinc/84/94/02/887849402.db2.gz JMIMYGQDYYDAHJ-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001374924911 887850798 /nfs/dbraw/zinc/85/07/98/887850798.db2.gz AOCOWRUEUFDODQ-DTWKUNHWSA-N 0 3 285.348 -1.713 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cncn1C)C(=O)NC(N)=O ZINC001374907664 887851662 /nfs/dbraw/zinc/85/16/62/887851662.db2.gz HJLHSOPIDWDUGE-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)Cc1ccn(C)n1 ZINC001374886435 887851712 /nfs/dbraw/zinc/85/17/12/887851712.db2.gz KEOSYPKERFXNSP-GXSJLCMTSA-N 0 3 279.344 -1.055 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001374922780 887851868 /nfs/dbraw/zinc/85/18/68/887851868.db2.gz SQNPMYVVYLJCDO-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccnc2n[nH]nc21)C(N)=O ZINC001374910281 887852094 /nfs/dbraw/zinc/85/20/94/887852094.db2.gz CMEOYRIWSBFHPG-NKWVEPMBSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001374904270 887852719 /nfs/dbraw/zinc/85/27/19/887852719.db2.gz KLHACIYZBFYCMK-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)Cn1ncnn1 ZINC001374890106 887853040 /nfs/dbraw/zinc/85/30/40/887853040.db2.gz PPGYFPCHQXWQDO-IUCAKERBSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001374904274 887853410 /nfs/dbraw/zinc/85/34/10/887853410.db2.gz KLHACIYZBFYCMK-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CCNC1=O ZINC001374894373 887853428 /nfs/dbraw/zinc/85/34/28/887853428.db2.gz IKKHFQYMGWIJKM-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN Cc1cn(C)nc1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001374886166 887853566 /nfs/dbraw/zinc/85/35/66/887853566.db2.gz FOKNDPCENMZMHN-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cnn(C)c1N ZINC001374882061 887853654 /nfs/dbraw/zinc/85/36/54/887853654.db2.gz BVUUOKXFSYDAIS-IONNQARKSA-N 0 3 280.332 -1.401 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cccnn1 ZINC001374942509 887854729 /nfs/dbraw/zinc/85/47/29/887854729.db2.gz HADKELSZVOZQDZ-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)Cn1cnnn1 ZINC001375001819 887855229 /nfs/dbraw/zinc/85/52/29/887855229.db2.gz LSPUXDKMXOBRAG-UWVGGRQHSA-N 0 3 286.336 -1.883 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001374934521 887855387 /nfs/dbraw/zinc/85/53/87/887855387.db2.gz AKFAPEDVBNZRMX-YUMQZZPRSA-N 0 3 299.331 -2.185 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001374979243 887855674 /nfs/dbraw/zinc/85/56/74/887855674.db2.gz RZWPMGUXHUQRII-YUMQZZPRSA-N 0 3 294.377 -2.236 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cccn2c1n[nH]c2=O ZINC001374959858 887856344 /nfs/dbraw/zinc/85/63/44/887856344.db2.gz CZXNPLCCUDYXRC-ZETCQYMHSA-N 0 3 292.299 -1.372 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CN1CCC(=O)NC1=O)C(N)=O ZINC001374958572 887856817 /nfs/dbraw/zinc/85/68/17/887856817.db2.gz QGAGXWAISBZAHZ-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1ncccn1 ZINC001374942364 887856888 /nfs/dbraw/zinc/85/68/88/887856888.db2.gz DDUOUUXNTTYXNW-QMMMGPOBSA-N 0 3 291.315 -1.194 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001375095398 887858953 /nfs/dbraw/zinc/85/89/53/887858953.db2.gz QRIZVYGOJAPZEL-UWVGGRQHSA-N 0 3 298.343 -1.173 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001375063096 887860151 /nfs/dbraw/zinc/86/01/51/887860151.db2.gz JEKMOZLJNTUXRU-ZJUUUORDSA-N 0 3 297.359 -1.025 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)Cn1ncnn1 ZINC001375037898 887862476 /nfs/dbraw/zinc/86/24/76/887862476.db2.gz MHPMTVWYADWUTP-VHSXEESVSA-N 0 3 286.336 -1.883 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001375224315 887864264 /nfs/dbraw/zinc/86/42/64/887864264.db2.gz LZEMSBOUFBKADG-SNVBAGLBSA-N 0 3 295.347 -1.706 20 0 CAADHN CO[C@H](C)C(=O)N[C@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001375204391 887864455 /nfs/dbraw/zinc/86/44/55/887864455.db2.gz CLBOQBAVOHAHIL-VXNVDRBHSA-N 0 3 286.332 -1.299 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001375264868 887864531 /nfs/dbraw/zinc/86/45/31/887864531.db2.gz MLQGVFXFFSLIEH-SECBINFHSA-N 0 3 285.348 -1.725 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)Cn1cncn1 ZINC001375152487 887865146 /nfs/dbraw/zinc/86/51/46/887865146.db2.gz YFRTVQPASNGFFN-MNOVXSKESA-N 0 3 285.348 -1.278 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001375220784 887865181 /nfs/dbraw/zinc/86/51/81/887865181.db2.gz AWLLPEYVBODLNU-QWRGUYRKSA-N 0 3 285.344 -1.238 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001375154781 887865265 /nfs/dbraw/zinc/86/52/65/887865265.db2.gz QCDRQGGYRLMTMA-RKDXNWHRSA-N 0 3 279.362 -1.893 20 0 CAADHN CO[C@@H](C)C(=O)N[C@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001375204390 887865383 /nfs/dbraw/zinc/86/53/83/887865383.db2.gz CLBOQBAVOHAHIL-IONNQARKSA-N 0 3 286.332 -1.299 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)c1cnn(C)c1N)C1CC1 ZINC001375212027 887865596 /nfs/dbraw/zinc/86/55/96/887865596.db2.gz LFTIIYHRJOOCIT-JTQLQIEISA-N 0 3 294.359 -1.154 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001375220786 887865625 /nfs/dbraw/zinc/86/56/25/887865625.db2.gz AWLLPEYVBODLNU-WDEREUQCSA-N 0 3 285.344 -1.238 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CNCC(=O)N1CCC1)C1CC1 ZINC001375202078 887865809 /nfs/dbraw/zinc/86/58/09/887865809.db2.gz UKJJYBYTNYXRIZ-LBPRGKRZSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001375228083 887865995 /nfs/dbraw/zinc/86/59/95/887865995.db2.gz JGMBVQBNCABVFL-UWVGGRQHSA-N 0 3 282.344 -1.518 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001375228084 887866695 /nfs/dbraw/zinc/86/66/95/887866695.db2.gz JGMBVQBNCABVFL-VHSXEESVSA-N 0 3 282.344 -1.518 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001375248877 887866723 /nfs/dbraw/zinc/86/67/23/887866723.db2.gz YWWJUMDMYMAYFD-VHSXEESVSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)c1cnn(C)c1N)C1CC1 ZINC001375212028 887866892 /nfs/dbraw/zinc/86/68/92/887866892.db2.gz LFTIIYHRJOOCIT-SNVBAGLBSA-N 0 3 294.359 -1.154 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001375207824 887866911 /nfs/dbraw/zinc/86/69/11/887866911.db2.gz FFCKEVRWZKBREL-SNVBAGLBSA-N 0 3 282.344 -1.518 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H]1CCN1C[C@H]1CCOC1 ZINC001375292435 887871591 /nfs/dbraw/zinc/87/15/91/887871591.db2.gz IBENPXVKURHBID-MNOVXSKESA-N 0 3 280.332 -1.100 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@@H]1CCN1CC1CC1 ZINC001375320710 887873783 /nfs/dbraw/zinc/87/37/83/887873783.db2.gz MVNLEOMELBXCFV-LBPRGKRZSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@@H]2COCCO2)CC1)C(N)=O ZINC001375395749 887874397 /nfs/dbraw/zinc/87/43/97/887874397.db2.gz COPYNUBROAEKFB-ZJUUUORDSA-N 0 3 285.344 -1.096 20 0 CAADHN CC[C@H](NC1(CNC(=O)c2ncn(C)n2)CC1)C(N)=O ZINC001375412614 887874955 /nfs/dbraw/zinc/87/49/55/887874955.db2.gz IIQKMUKJHFDYES-QMMMGPOBSA-N 0 3 280.332 -1.069 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)C[C@@H]1CCN1C(C)C ZINC001375459432 887880311 /nfs/dbraw/zinc/88/03/11/887880311.db2.gz RGWUWLQYWOHPPK-JTQLQIEISA-N 0 3 292.405 -1.019 20 0 CAADHN COCC(=O)NCc1nc(C[NH2+]C[C@@H](C)O)cc(=O)[n-]1 ZINC001375597320 887881703 /nfs/dbraw/zinc/88/17/03/887881703.db2.gz QHJKQNGLYQEKMG-MRVPVSSYSA-N 0 3 284.316 -1.085 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001375575595 887881803 /nfs/dbraw/zinc/88/18/03/887881803.db2.gz HGKXKNAKYXPJFW-VHSXEESVSA-N 0 3 294.359 -1.032 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@@H]2CCC(=O)N2)CC1)C(N)=O ZINC001375531860 887882164 /nfs/dbraw/zinc/88/21/64/887882164.db2.gz UJGGZPYYKRNMLL-IUCAKERBSA-N 0 3 282.344 -1.233 20 0 CAADHN C[C@@H]1CCN(C(=O)Cn2cncn2)[C@H](CNCC(N)=O)C1 ZINC001375595617 887884001 /nfs/dbraw/zinc/88/40/01/887884001.db2.gz JRJGPFIWWZFNTC-MNOVXSKESA-N 0 3 294.359 -1.020 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CCn1cncn1 ZINC001375735126 887889007 /nfs/dbraw/zinc/88/90/07/887889007.db2.gz FZXJJNPGHUIJKZ-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001375762065 887889120 /nfs/dbraw/zinc/88/91/20/887889120.db2.gz OVNPLKVTFSBWLY-KXUCPTDWSA-N 0 3 298.343 -1.915 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001375747811 887889397 /nfs/dbraw/zinc/88/93/97/887889397.db2.gz HWXLJWZYEZANFU-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001375749648 887889490 /nfs/dbraw/zinc/88/94/90/887889490.db2.gz OWPNWGDCMQOYBW-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001375749652 887889588 /nfs/dbraw/zinc/88/95/88/887889588.db2.gz OWPNWGDCMQOYBW-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001375760540 887889912 /nfs/dbraw/zinc/88/99/12/887889912.db2.gz KZWGAOIHYDDZJG-MXWKQRLJSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CNCC(=O)N(C)C ZINC001375740691 887890231 /nfs/dbraw/zinc/89/02/31/887890231.db2.gz DSXRLRONJPHRDH-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CN1CCN(CC(=O)N[C@@]2(C)CCN(CCO)C2)CC1=O ZINC001375828730 887890418 /nfs/dbraw/zinc/89/04/18/887890418.db2.gz LSWCLUQLDYDPBP-AWEZNQCLSA-N 0 3 298.387 -1.667 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@H]1CNCC(=O)N(C)C ZINC001375740681 887890433 /nfs/dbraw/zinc/89/04/33/887890433.db2.gz DSXRLRONJPHRDH-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001375738073 887890586 /nfs/dbraw/zinc/89/05/86/887890586.db2.gz ICRYYTSVHLOAPN-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CN1CCOCC1 ZINC001375742307 887890712 /nfs/dbraw/zinc/89/07/12/887890712.db2.gz IZLKFLAAPRGNEG-NSHDSACASA-N 0 3 284.360 -1.616 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC001375768574 887890843 /nfs/dbraw/zinc/89/08/43/887890843.db2.gz LGJPQVGHOASHSI-VIFPVBQESA-N 0 3 293.327 -1.207 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001375992347 887892408 /nfs/dbraw/zinc/89/24/08/887892408.db2.gz ANMDACIRCCQJNL-CABZTGNLSA-N 0 3 273.333 -1.944 20 0 CAADHN CC(=O)NCC(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001375965483 887892930 /nfs/dbraw/zinc/89/29/30/887892930.db2.gz NTNWXPIQZAPWJC-UHFFFAOYSA-N 0 3 286.332 -2.137 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@@H]1CCCOC1 ZINC001376003109 887893062 /nfs/dbraw/zinc/89/30/62/887893062.db2.gz GPXYSDBOVQSVGS-YPMHNXCESA-N 0 3 272.345 -1.042 20 0 CAADHN CNC(=O)CNC1(CNC(=O)COC)CCOCC1 ZINC001375953204 887894167 /nfs/dbraw/zinc/89/41/67/887894167.db2.gz CCGNGMCVUUUNOD-UHFFFAOYSA-N 0 3 273.333 -1.366 20 0 CAADHN COCC(=O)NC[C@@]1(O)CCN(CCN2CCCC2=O)C1 ZINC001375987879 887894640 /nfs/dbraw/zinc/89/46/40/887894640.db2.gz JFYRAWJKKWIFME-AWEZNQCLSA-N 0 3 299.371 -1.192 20 0 CAADHN COCC(=O)NC[C@]1(O)CCN(CCn2cncn2)C1 ZINC001375989484 887894821 /nfs/dbraw/zinc/89/48/21/887894821.db2.gz PKADZZHRYUXWGW-GFCCVEGCSA-N 0 3 283.332 -1.523 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001376045963 887897093 /nfs/dbraw/zinc/89/70/93/887897093.db2.gz SFRSDPUAHCSSLL-GFCCVEGCSA-N 0 3 284.316 -1.417 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2cnnn2C)C1 ZINC001376041756 887900191 /nfs/dbraw/zinc/90/01/91/887900191.db2.gz WVAQZDKHJPATBA-GFCCVEGCSA-N 0 3 283.332 -1.372 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001376096595 887903824 /nfs/dbraw/zinc/90/38/24/887903824.db2.gz SNJUSOCELDBNRJ-ZDUSSCGKSA-N 0 3 282.344 -1.194 20 0 CAADHN O=C(CCCn1cncn1)NC[C@@]1(O)CCN(CCO)C1 ZINC001376087483 887904261 /nfs/dbraw/zinc/90/42/61/887904261.db2.gz HRMHUFJIIUCIKP-ZDUSSCGKSA-N 0 3 297.359 -1.396 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001376129635 887906037 /nfs/dbraw/zinc/90/60/37/887906037.db2.gz PMJVCIGVQAIYJC-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN O=C(CNC(=O)N1CCCC1)N[C@H]1CCN(CCO)C1 ZINC001376116747 887906207 /nfs/dbraw/zinc/90/62/07/887906207.db2.gz GZUJKUGSLCVWAK-NSHDSACASA-N 0 3 284.360 -1.025 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CCNS(C)(=O)=O)C1 ZINC001376132194 887906214 /nfs/dbraw/zinc/90/62/14/887906214.db2.gz VAUYNKFHPYWPMJ-ZJUUUORDSA-N 0 3 293.389 -1.503 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)CNC(=O)OC)C1 ZINC001376118218 887906718 /nfs/dbraw/zinc/90/67/18/887906718.db2.gz NTFMSZLJXXNIIC-ZJUUUORDSA-N 0 3 289.332 -1.460 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001376142683 887908857 /nfs/dbraw/zinc/90/88/57/887908857.db2.gz HAOOJLNETFZHCQ-UWVGGRQHSA-N 0 3 283.332 -1.075 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001376157707 887909172 /nfs/dbraw/zinc/90/91/72/887909172.db2.gz VRTAETLJXHFEDG-UWVGGRQHSA-N 0 3 293.389 -1.374 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CCCS(N)(=O)=O)C1 ZINC001376157702 887910183 /nfs/dbraw/zinc/91/01/83/887910183.db2.gz VRTAETLJXHFEDG-NXEZZACHSA-N 0 3 293.389 -1.374 20 0 CAADHN CC[C@H](C(=O)NCC1(O)CN(CC(N)=O)C1)N(C)C ZINC001376193739 887912659 /nfs/dbraw/zinc/91/26/59/887912659.db2.gz QCTMDRZWBFTDCE-SECBINFHSA-N 0 3 272.349 -2.025 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001376224944 887915210 /nfs/dbraw/zinc/91/52/10/887915210.db2.gz VPMMIPAUEPFJLU-JTQLQIEISA-N 0 3 295.347 -1.706 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](NCC(N)=O)C2CC2)c1N ZINC001376208943 887915240 /nfs/dbraw/zinc/91/52/40/887915240.db2.gz ZORYOKSFEWPHBW-SECBINFHSA-N 0 3 280.332 -1.414 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](NCC(=O)NC)C1CC1 ZINC001376199938 887915444 /nfs/dbraw/zinc/91/54/44/887915444.db2.gz OYAWOUHNCNQXAH-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](N[C@@H]2CCNC2=O)C2CC2)nn1 ZINC001376213474 887915503 /nfs/dbraw/zinc/91/55/03/887915503.db2.gz ZGQINJVJKWCKTF-NXEZZACHSA-N 0 3 292.343 -1.198 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001376210600 887915661 /nfs/dbraw/zinc/91/56/61/887915661.db2.gz FCMAMUSYKUKHGT-NXEZZACHSA-N 0 3 282.344 -1.518 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)CN1CCOCC1)C1CC1)C(N)=O ZINC001376204038 887915807 /nfs/dbraw/zinc/91/58/07/887915807.db2.gz GRNMACKZFZCYDT-PWSUYJOCSA-N 0 3 298.387 -1.323 20 0 CAADHN Cn1nncc1C(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001376224650 887915867 /nfs/dbraw/zinc/91/58/67/887915867.db2.gz VJGMRFSLABYODE-VHSXEESVSA-N 0 3 292.343 -1.198 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)CN1CCOCC1)C1CC1)C(N)=O ZINC001376204039 887915920 /nfs/dbraw/zinc/91/59/20/887915920.db2.gz GRNMACKZFZCYDT-ZYHUDNBSSA-N 0 3 298.387 -1.323 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CN(C)C(C)=O)C1CC1 ZINC001376206750 887916519 /nfs/dbraw/zinc/91/65/19/887916519.db2.gz XZCFEIAAZXRGLD-NSHDSACASA-N 0 3 284.360 -1.305 20 0 CAADHN Cn1nncc1C(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001376224645 887916653 /nfs/dbraw/zinc/91/66/53/887916653.db2.gz VJGMRFSLABYODE-NXEZZACHSA-N 0 3 292.343 -1.198 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](N[C@H]2CCNC2=O)C2CC2)nn1 ZINC001376213481 887916753 /nfs/dbraw/zinc/91/67/53/887916753.db2.gz ZGQINJVJKWCKTF-VHSXEESVSA-N 0 3 292.343 -1.198 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001376252662 887918014 /nfs/dbraw/zinc/91/80/14/887918014.db2.gz GOVDPAQIRVWIFD-WDEREUQCSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001376244281 887918456 /nfs/dbraw/zinc/91/84/56/887918456.db2.gz VENQLZYUPGEYBB-ZJUUUORDSA-N 0 3 297.359 -1.760 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001376261780 887918486 /nfs/dbraw/zinc/91/84/86/887918486.db2.gz XRHVIZBQTMKJEC-OUAUKWLOSA-N 0 3 296.371 -1.272 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001376283142 887918490 /nfs/dbraw/zinc/91/84/90/887918490.db2.gz WYCOGRDEGLFIHG-GHMZBOCLSA-N 0 3 296.371 -1.033 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001376261784 887918618 /nfs/dbraw/zinc/91/86/18/887918618.db2.gz XRHVIZBQTMKJEC-VWYCJHECSA-N 0 3 296.371 -1.272 20 0 CAADHN CNC(=O)C[NH2+][C@@H](CNC(=O)Cc1nnc[n-]1)C1CC1 ZINC001376257819 887919367 /nfs/dbraw/zinc/91/93/67/887919367.db2.gz HDZMDYYSYAMHDF-VIFPVBQESA-N 0 3 280.332 -1.422 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001376290172 887920925 /nfs/dbraw/zinc/92/09/25/887920925.db2.gz QSNWCYVXQQHWQO-SECBINFHSA-N 0 3 279.300 -1.235 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001376319664 887921330 /nfs/dbraw/zinc/92/13/30/887921330.db2.gz RYGDEXIXSNCPEC-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001376304216 887921624 /nfs/dbraw/zinc/92/16/24/887921624.db2.gz JSJHEOHVJZZFKF-ZJUUUORDSA-N 0 3 297.359 -1.712 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001376333007 887922496 /nfs/dbraw/zinc/92/24/96/887922496.db2.gz RHQFPLYSCLDHOQ-VHSXEESVSA-N 0 3 282.344 -1.456 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001376320799 887922182 /nfs/dbraw/zinc/92/21/82/887922182.db2.gz PXCLQSINMOKDCL-NSHDSACASA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001376329464 887922351 /nfs/dbraw/zinc/92/23/51/887922351.db2.gz AKVSQDMCYFPVGY-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001376313595 887922410 /nfs/dbraw/zinc/92/24/10/887922410.db2.gz HMDXBSHUOBYFEA-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001376315082 887922424 /nfs/dbraw/zinc/92/24/24/887922424.db2.gz VDHKQSZZUFCJEZ-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001376315853 887922443 /nfs/dbraw/zinc/92/24/43/887922443.db2.gz ZESQYFPFOGHCFL-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001376301817 887922455 /nfs/dbraw/zinc/92/24/55/887922455.db2.gz YHKRSLVFORCAOS-PSASIEDQSA-N 0 3 295.347 -1.708 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001376301822 887922467 /nfs/dbraw/zinc/92/24/67/887922467.db2.gz YHKRSLVFORCAOS-WCBMZHEXSA-N 0 3 295.347 -1.708 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001376312253 887922517 /nfs/dbraw/zinc/92/25/17/887922517.db2.gz CRAINSYOJIRJHZ-SCZZXKLOSA-N 0 3 294.359 -1.019 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001376290176 887922526 /nfs/dbraw/zinc/92/25/26/887922526.db2.gz QSNWCYVXQQHWQO-VIFPVBQESA-N 0 3 279.300 -1.235 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001376321395 887922536 /nfs/dbraw/zinc/92/25/36/887922536.db2.gz RWTDPGICBJXXJW-NWDGAFQWSA-N 0 3 298.387 -1.404 20 0 CAADHN CC(=O)NCC(=O)N[C@H]1C[C@H](NCCS(C)(=O)=O)C1 ZINC001376358429 887924793 /nfs/dbraw/zinc/92/47/93/887924793.db2.gz OBCHNLNLVRQDPF-MGCOHNPYSA-N 0 3 291.373 -1.596 20 0 CAADHN Cc1nocc1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001376400728 887924965 /nfs/dbraw/zinc/92/49/65/887924965.db2.gz RTRMLZCYIBHLFZ-QMMMGPOBSA-N 0 3 295.299 -1.018 20 0 CAADHN CN(C)C(=O)CN[C@H]1C[C@@H](NC(=O)CS(C)(=O)=O)C1 ZINC001376447870 887927744 /nfs/dbraw/zinc/92/77/44/887927744.db2.gz UDBHGXFPVZGOHK-DTORHVGOSA-N 0 3 291.373 -1.644 20 0 CAADHN CC(=O)N[C@H]1C[C@@H](NCC(=O)N[C@@H](C)C(=O)N(C)C)C1 ZINC001376458946 887930180 /nfs/dbraw/zinc/93/01/80/887930180.db2.gz VAOAOQGOGWUKEN-INTQDDNPSA-N 0 3 284.360 -1.164 20 0 CAADHN CC(=O)N[C@H]1C[C@@H](NCC(=O)N[C@H](C)C(=O)N(C)C)C1 ZINC001376458942 887930346 /nfs/dbraw/zinc/93/03/46/887930346.db2.gz VAOAOQGOGWUKEN-IEBDPFPHSA-N 0 3 284.360 -1.164 20 0 CAADHN CCN1CCC[C@@](CO)(NC(=O)CNC(=O)NC)C1 ZINC001376467979 887931479 /nfs/dbraw/zinc/93/14/79/887931479.db2.gz PUYBJVWAHSVLOQ-GFCCVEGCSA-N 0 3 272.349 -1.122 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNC(=O)[C@@H](C)OC)N(C)C ZINC001376520403 887937342 /nfs/dbraw/zinc/93/73/42/887937342.db2.gz IUOIJDBEZNHDJM-MXWKQRLJSA-N 0 3 289.376 -1.045 20 0 CAADHN Cn1cnc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)n1 ZINC001376536231 887937440 /nfs/dbraw/zinc/93/74/40/887937440.db2.gz GRZBBXLXJBQDAN-SECBINFHSA-N 0 3 296.331 -2.272 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cncnc1)C(N)=O ZINC001376532799 887937680 /nfs/dbraw/zinc/93/76/80/887937680.db2.gz BYFZVJBNNOFLNJ-VIFPVBQESA-N 0 3 281.316 -1.626 20 0 CAADHN CO[C@@H](C)C(=O)N(CCO)CCN[C@@H](C)C(=O)N(C)C ZINC001376533827 887937824 /nfs/dbraw/zinc/93/78/24/887937824.db2.gz CQJPUSVMBNJZRW-QWRGUYRKSA-N 0 3 289.376 -1.092 20 0 CAADHN CCC(=O)N(CCO)CCN[C@@H](C)C(=O)NC(N)=O ZINC001376527915 887937997 /nfs/dbraw/zinc/93/79/97/887937997.db2.gz GJORNHSHRYJDHS-QMMMGPOBSA-N 0 3 274.321 -1.610 20 0 CAADHN CCC(=O)N(CCO)CCN[C@@H](C)C(=O)NC(=O)NC ZINC001376532574 887939427 /nfs/dbraw/zinc/93/94/27/887939427.db2.gz PHENXYOJDFUPEP-VIFPVBQESA-N 0 3 288.348 -1.349 20 0 CAADHN CCC(=O)N(CCO)CCN[C@H](C)C(=O)NC(N)=O ZINC001376527909 887940023 /nfs/dbraw/zinc/94/00/23/887940023.db2.gz GJORNHSHRYJDHS-MRVPVSSYSA-N 0 3 274.321 -1.610 20 0 CAADHN O=C([C@@H]1CCCCO1)N(CCO)CCN[C@H]1CCNC1=O ZINC001376540624 887941348 /nfs/dbraw/zinc/94/13/48/887941348.db2.gz QHMFHRKCDKJZPD-RYUDHWBXSA-N 0 3 299.371 -1.146 20 0 CAADHN CCn1ncc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)n1 ZINC001376540148 887941435 /nfs/dbraw/zinc/94/14/35/887941435.db2.gz OUEPGVAYCJGIER-VIFPVBQESA-N 0 3 298.347 -1.804 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001376549312 887941770 /nfs/dbraw/zinc/94/17/70/887941770.db2.gz MMKCQRIORLRCEP-RKDXNWHRSA-N 0 3 299.331 -3.033 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001376551968 887941874 /nfs/dbraw/zinc/94/18/74/887941874.db2.gz UBZWTBCHKMNVIY-QMMMGPOBSA-N 0 3 284.320 -2.037 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)c1nc[n-]n1 ZINC001376551968 887941883 /nfs/dbraw/zinc/94/18/83/887941883.db2.gz UBZWTBCHKMNVIY-QMMMGPOBSA-N 0 3 284.320 -2.037 20 0 CAADHN C[C@@H](NC[C@H]1CCCCN1C(=O)Cn1cnnn1)C(N)=O ZINC001376588236 887942263 /nfs/dbraw/zinc/94/22/63/887942263.db2.gz CUVFHIAPVXTAHS-NXEZZACHSA-N 0 3 295.347 -1.482 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cnon1)C(=O)N(C)C ZINC001376545792 887942321 /nfs/dbraw/zinc/94/23/21/887942321.db2.gz BUMHGGYNLWYJJC-SECBINFHSA-N 0 3 299.331 -1.430 20 0 CAADHN Cc1nc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)co1 ZINC001376539220 887943211 /nfs/dbraw/zinc/94/32/11/887943211.db2.gz MWYOHFAZDCEMJG-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1nc[nH]n1 ZINC001376551966 887943666 /nfs/dbraw/zinc/94/36/66/887943666.db2.gz UBZWTBCHKMNVIY-MRVPVSSYSA-N 0 3 284.320 -2.037 20 0 CAADHN O=C(c1cnon1)N(CCO)CCN[C@H]1CCNC1=O ZINC001376551217 887943710 /nfs/dbraw/zinc/94/37/10/887943710.db2.gz QXASPWXHZQTHPW-QMMMGPOBSA-N 0 3 283.288 -2.018 20 0 CAADHN COC(=O)NCC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001376611304 887944879 /nfs/dbraw/zinc/94/48/79/887944879.db2.gz ZZCCNPZBZXYSJQ-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN O=C(c1csnn1)N(CCO)CCN[C@H]1CCNC1=O ZINC001376629658 887945781 /nfs/dbraw/zinc/94/57/81/887945781.db2.gz KKLYUXOZHCPFOW-QMMMGPOBSA-N 0 3 299.356 -1.549 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001376600557 887945904 /nfs/dbraw/zinc/94/59/04/887945904.db2.gz FQTXUQKQUZULQF-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001376632541 887946464 /nfs/dbraw/zinc/94/64/64/887946464.db2.gz VXZCUCSECDMXKK-GENCIFFESA-N 0 3 295.343 -2.022 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001376690336 887948108 /nfs/dbraw/zinc/94/81/08/887948108.db2.gz LKWXBYUYIYJKGC-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN COCC(=O)NC[C@H](C)NCC(=O)N1CCO[C@@H](C)C1 ZINC001376681210 887947705 /nfs/dbraw/zinc/94/77/05/887947705.db2.gz LMYPMJGNGRWPFM-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)NCCS(C)(=O)=O ZINC001376697574 887947772 /nfs/dbraw/zinc/94/77/72/887947772.db2.gz FTJBIDCNKPLRSA-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)COC ZINC001376680570 887947832 /nfs/dbraw/zinc/94/78/32/887947832.db2.gz HKKRCTLFFIAQPK-SFYZADRCSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@@H](NC[C@H]1CCCCN1C(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001376674725 887948208 /nfs/dbraw/zinc/94/82/08/887948208.db2.gz ISXOUGYQVJRHGV-KXUCPTDWSA-N 0 3 299.375 -1.112 20 0 CAADHN COCC(=O)NC[C@@H](C)NCC(=O)N1CCO[C@@H](C)C1 ZINC001376681208 887948482 /nfs/dbraw/zinc/94/84/82/887948482.db2.gz LMYPMJGNGRWPFM-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CNC(=O)OC ZINC001376687531 887948545 /nfs/dbraw/zinc/94/85/45/887948545.db2.gz DNQGGDPHJKRFNS-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CCC(=O)N1 ZINC001376671507 887948638 /nfs/dbraw/zinc/94/86/38/887948638.db2.gz BNCYSZCKLPFRDF-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001376691683 887948785 /nfs/dbraw/zinc/94/87/85/887948785.db2.gz DAOKCKJXVHYPIS-WDEREUQCSA-N 0 3 286.376 -1.453 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC1CC1 ZINC001376672695 887948864 /nfs/dbraw/zinc/94/88/64/887948864.db2.gz BPRZBTRPDKXRJZ-DTWKUNHWSA-N 0 3 284.360 -1.116 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC1CC1 ZINC001376672698 887949433 /nfs/dbraw/zinc/94/94/33/887949433.db2.gz BPRZBTRPDKXRJZ-RKDXNWHRSA-N 0 3 284.360 -1.116 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001376691609 887949547 /nfs/dbraw/zinc/94/95/47/887949547.db2.gz DAOKCKJXVHYPIS-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1ccn[nH]1 ZINC001376690604 887949643 /nfs/dbraw/zinc/94/96/43/887949643.db2.gz AOVGPVGTHSMRSL-HTQZYQBOSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C1CC1)NCC(=O)N1CCC1 ZINC001376687810 887949673 /nfs/dbraw/zinc/94/96/73/887949673.db2.gz FGSONWQNBUZJJO-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](CNC(=O)Cc1cnn(C)c1)N[C@H]1CCNC1=O ZINC001376694351 887949884 /nfs/dbraw/zinc/94/98/84/887949884.db2.gz JAILOPUMOLROMA-ONGXEEELSA-N 0 3 279.344 -1.055 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)COC ZINC001376680563 887950012 /nfs/dbraw/zinc/95/00/12/887950012.db2.gz HKKRCTLFFIAQPK-HTQZYQBOSA-N 0 3 274.321 -1.429 20 0 CAADHN CCOCC(=O)NC[C@H](C)NCC(=O)N1CCOCC1 ZINC001376698188 887950036 /nfs/dbraw/zinc/95/00/36/887950036.db2.gz VNNBYFGAXSQVDF-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)COC ZINC001376680567 887950076 /nfs/dbraw/zinc/95/00/76/887950076.db2.gz HKKRCTLFFIAQPK-JGVFFNPUSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1N)N[C@H]1CCCNC1=O ZINC001376709248 887951902 /nfs/dbraw/zinc/95/19/02/887951902.db2.gz CRQDYJYLHDHGBD-SCZZXKLOSA-N 0 3 294.359 -1.011 20 0 CAADHN CNC(=O)CNC1(CNC(=O)Cn2cnnn2)CCC1 ZINC001376706578 887951980 /nfs/dbraw/zinc/95/19/80/887951980.db2.gz NMVVLUOMLPLJHP-UHFFFAOYSA-N 0 3 281.320 -1.952 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)[C@H](C)NC(N)=O)n[nH]1 ZINC001376725740 887952350 /nfs/dbraw/zinc/95/23/50/887952350.db2.gz PSBACVPLEDZPJD-BQBZGAKWSA-N 0 3 283.336 -1.236 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC ZINC001376715524 887952668 /nfs/dbraw/zinc/95/26/68/887952668.db2.gz JLQWCCFAQSSPCK-BDAKNGLRSA-N 0 3 287.364 -1.466 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2COCCO2)CCC1 ZINC001376711024 887953520 /nfs/dbraw/zinc/95/35/20/887953520.db2.gz HQTVMGMTTVNQLB-VIFPVBQESA-N 0 3 271.317 -1.484 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COCCO1)NCC(=O)N1CCC1 ZINC001376701723 887953537 /nfs/dbraw/zinc/95/35/37/887953537.db2.gz QJICLFYXWFDJKE-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC ZINC001376715527 887953767 /nfs/dbraw/zinc/95/37/67/887953767.db2.gz JLQWCCFAQSSPCK-IUCAKERBSA-N 0 3 287.364 -1.466 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)N[C@@H]1CCCN(C)C1=O ZINC001376722832 887954011 /nfs/dbraw/zinc/95/40/11/887954011.db2.gz JEUDBIFNUDXYMM-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1)N[C@@H]1CCNC1=O ZINC001376708976 887954211 /nfs/dbraw/zinc/95/42/11/887954211.db2.gz GAOODWWEDOIIGA-GHMZBOCLSA-N 0 3 284.360 -1.699 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001376785881 887955896 /nfs/dbraw/zinc/95/58/96/887955896.db2.gz QGLMWAMIJZKHRU-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNC(=O)CC1CS(=O)(=O)C1)N[C@@H](C)C(N)=O ZINC001376756729 887956101 /nfs/dbraw/zinc/95/61/01/887956101.db2.gz KPXZEZNQHCCWBM-YUMQZZPRSA-N 0 3 291.373 -1.611 20 0 CAADHN COc1c[nH]c(C(=O)NC[C@@H](C)N[C@H](C)C(N)=O)cc1=O ZINC001376770742 887956163 /nfs/dbraw/zinc/95/61/63/887956163.db2.gz BKQPGWVHUDIKLB-HTQZYQBOSA-N 0 3 296.327 -1.035 20 0 CAADHN C[C@H](CNC(=O)CC1CS(=O)(=O)C1)N[C@H](C)C(N)=O ZINC001376756711 887956274 /nfs/dbraw/zinc/95/62/74/887956274.db2.gz KPXZEZNQHCCWBM-HTQZYQBOSA-N 0 3 291.373 -1.611 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001376755495 887956433 /nfs/dbraw/zinc/95/64/33/887956433.db2.gz JAFLIRDRNXBPIF-DTWKUNHWSA-N 0 3 298.347 -2.060 20 0 CAADHN CCn1ccnc1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001376727434 887956378 /nfs/dbraw/zinc/95/63/78/887956378.db2.gz UVVGZXNTABXADA-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN C[C@@H](CNC(=O)c1cc(CN(C)C)on1)NCC(N)=O ZINC001376754660 887956415 /nfs/dbraw/zinc/95/64/15/887956415.db2.gz MHFQTMHUKJHDHH-QMMMGPOBSA-N 0 3 283.332 -1.071 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(=O)NC1CC1 ZINC001376730249 887956557 /nfs/dbraw/zinc/95/65/57/887956557.db2.gz JGDSAFHQLSYGQL-VHSXEESVSA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)CNC1(CNC(=O)CN2CCOCC2)CCC1 ZINC001376740969 887956739 /nfs/dbraw/zinc/95/67/39/887956739.db2.gz VIKSBJNNISACLV-UHFFFAOYSA-N 0 3 284.360 -1.568 20 0 CAADHN C[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)NCC(N)=O ZINC001376764302 887956951 /nfs/dbraw/zinc/95/69/51/887956951.db2.gz OPQKJJQAEMBJPW-UFBFGSQYSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CN1CCCCC1=O ZINC001376753103 887957443 /nfs/dbraw/zinc/95/74/43/887957443.db2.gz NCTXOZPZLDAKJB-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)NC1)NCC(N)=O ZINC001376741308 887957470 /nfs/dbraw/zinc/95/74/70/887957470.db2.gz CPCQVCAFGHZTSE-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CC1(F)F)NCC(=O)NC(N)=O ZINC001376726728 887957701 /nfs/dbraw/zinc/95/77/01/887957701.db2.gz JKRJBFHHRHUEBR-WDSKDSINSA-N 0 3 278.259 -1.069 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(=O)N(C)C ZINC001376806930 887959254 /nfs/dbraw/zinc/95/92/54/887959254.db2.gz SEWVWGBLXMXVMH-MRVPVSSYSA-N 0 3 281.316 -1.434 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NC[C@H](C)NCCF)C(N)=O ZINC001376821903 887959266 /nfs/dbraw/zinc/95/92/66/887959266.db2.gz RJKJYYVZAGKPSP-CBAPKCEASA-N 0 3 276.312 -1.570 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccoc1CC(N)=O ZINC001376794408 887959409 /nfs/dbraw/zinc/95/94/09/887959409.db2.gz WIMXQJMQJVRFSP-QMMMGPOBSA-N 0 3 296.327 -1.239 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCc1cnn(C)c1 ZINC001376795366 887959437 /nfs/dbraw/zinc/95/94/37/887959437.db2.gz BDUDONFTVRKBCZ-SCZZXKLOSA-N 0 3 280.332 -1.304 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCc1cnn(C)c1 ZINC001376795369 887959450 /nfs/dbraw/zinc/95/94/50/887959450.db2.gz BDUDONFTVRKBCZ-WCBMZHEXSA-N 0 3 280.332 -1.304 20 0 CAADHN C[C@@H](CNC(=O)CCn1cnnn1)NCC(=O)N(C)C ZINC001376830986 887959530 /nfs/dbraw/zinc/95/95/30/887959530.db2.gz GDXSYLQUAHLGBA-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN CCCC[C@H](N[C@H](C)CNC(=O)c1nnn(C)n1)C(N)=O ZINC001376798121 887959554 /nfs/dbraw/zinc/95/95/54/887959554.db2.gz VSEFRELCFVMRRG-BDAKNGLRSA-N 0 3 297.363 -1.038 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001376817103 887959590 /nfs/dbraw/zinc/95/95/90/887959590.db2.gz JNQSYFRZOOTMKE-QMMMGPOBSA-N 0 3 296.331 -1.519 20 0 CAADHN C[C@@H](CNC(=O)c1cncn1C)N[C@@H](C)C(=O)NC(N)=O ZINC001376819463 887959653 /nfs/dbraw/zinc/95/96/53/887959653.db2.gz LLCGUBAWJCQYNS-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCc2nnnn2CC1)NCC(N)=O ZINC001376797812 887959769 /nfs/dbraw/zinc/95/97/69/887959769.db2.gz FQZPCINWUWFBCN-RKDXNWHRSA-N 0 3 295.347 -1.795 20 0 CAADHN CCCC[C@@H](N[C@H](C)CNC(=O)c1nnn(C)n1)C(N)=O ZINC001376798132 887959838 /nfs/dbraw/zinc/95/98/38/887959838.db2.gz VSEFRELCFVMRRG-RKDXNWHRSA-N 0 3 297.363 -1.038 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C2CCOCC2)CCO1 ZINC001376831979 887960225 /nfs/dbraw/zinc/96/02/25/887960225.db2.gz ONIGKJUCEFRGJV-NSHDSACASA-N 0 3 285.344 -1.285 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001376831765 887960272 /nfs/dbraw/zinc/96/02/72/887960272.db2.gz AIENBOOATPUVHJ-VIFPVBQESA-N 0 3 285.300 -1.823 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCc2nnnn2CC1)NCC(N)=O ZINC001376797794 887960322 /nfs/dbraw/zinc/96/03/22/887960322.db2.gz FQZPCINWUWFBCN-BDAKNGLRSA-N 0 3 295.347 -1.795 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001376799029 887960563 /nfs/dbraw/zinc/96/05/63/887960563.db2.gz YLZKXJGFKBTPPD-QMMMGPOBSA-N 0 3 283.336 -1.556 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2cncs2)CCO1 ZINC001376838160 887960634 /nfs/dbraw/zinc/96/06/34/887960634.db2.gz GBEYKEFMTWRUSU-VIFPVBQESA-N 0 3 298.368 -1.012 20 0 CAADHN C[C@H](CNC(=O)c1[nH]ncc1F)NCc1nnn(C)n1 ZINC001376806029 887960707 /nfs/dbraw/zinc/96/07/07/887960707.db2.gz UBSNJGWEPVLEIW-ZCFIWIBFSA-N 0 3 282.283 -1.020 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)CCO1 ZINC001376837935 887960836 /nfs/dbraw/zinc/96/08/36/887960836.db2.gz FFOUAIRZRWEYSF-SECBINFHSA-N 0 3 295.299 -1.902 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCc2nnnn2CC1)NCC(N)=O ZINC001376797801 887961253 /nfs/dbraw/zinc/96/12/53/887961253.db2.gz FQZPCINWUWFBCN-DTWKUNHWSA-N 0 3 295.347 -1.795 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001376790080 887961313 /nfs/dbraw/zinc/96/13/13/887961313.db2.gz UKXLUHQXOGIWMQ-JOYOIKCWSA-N 0 3 297.359 -1.052 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)NCc1ccnn1C ZINC001376798089 887961332 /nfs/dbraw/zinc/96/13/32/887961332.db2.gz VEXYOUWOBFLONH-MRVPVSSYSA-N 0 3 278.320 -1.148 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCn1cnnn1 ZINC001376838199 887961454 /nfs/dbraw/zinc/96/14/54/887961454.db2.gz RFUBRUNRNGUENR-BDAKNGLRSA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cn(C)cn2)CCO1)C(N)=O ZINC001376851876 887962345 /nfs/dbraw/zinc/96/23/45/887962345.db2.gz HEBZYAQOKVOGPX-NXEZZACHSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)NCC(=O)N(C)C ZINC001376870257 887962390 /nfs/dbraw/zinc/96/23/90/887962390.db2.gz VTIOWQHEDBKIJJ-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN Cc1c(C(=O)N2CCO[C@H](CNCC(N)=O)C2)nnn1C ZINC001376850004 887962602 /nfs/dbraw/zinc/96/26/02/887962602.db2.gz DYXISWHLXAVTDL-SECBINFHSA-N 0 3 296.331 -1.961 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)C2CC(OC)C2)CCO1 ZINC001376843286 887962742 /nfs/dbraw/zinc/96/27/42/887962742.db2.gz PDIDWOUAOQFWAD-MCIGGMRASA-N 0 3 299.371 -1.026 20 0 CAADHN C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)NCC(N)=O ZINC001376844291 887962828 /nfs/dbraw/zinc/96/28/28/887962828.db2.gz NEZKFVCBIRVKLO-ZETCQYMHSA-N 0 3 285.304 -2.492 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CS(=O)(=O)NC)C(N)=O ZINC001376870333 887962839 /nfs/dbraw/zinc/96/28/39/887962839.db2.gz RPVDJPNBRXGUDP-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN CN1C[C@@H](C(=O)N2CCO[C@H](CNCC(N)=O)C2)NC1=O ZINC001376864704 887963197 /nfs/dbraw/zinc/96/31/97/887963197.db2.gz IXXWTHGGUODFFV-BDAKNGLRSA-N 0 3 299.331 -2.688 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001376868617 887963698 /nfs/dbraw/zinc/96/36/98/887963698.db2.gz OQLQUTGUNAMNJL-NXEZZACHSA-N 0 3 298.343 -2.091 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2csnn2)CCO1 ZINC001376861939 887963711 /nfs/dbraw/zinc/96/37/11/887963711.db2.gz DWWDYHUDCBABDE-MRVPVSSYSA-N 0 3 299.356 -1.285 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001376843728 887963846 /nfs/dbraw/zinc/96/38/46/887963846.db2.gz UZGLVXGQVDWKRL-MRVPVSSYSA-N 0 3 283.292 -3.025 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2ccnnc2)CCO1)C(N)=O ZINC001376847565 887963865 /nfs/dbraw/zinc/96/38/65/887963865.db2.gz UNPXERZJUJIIPE-ONGXEEELSA-N 0 3 293.327 -1.219 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCO[C@@H](CN[C@@H](C)C(N)=O)C1 ZINC001376861649 887963921 /nfs/dbraw/zinc/96/39/21/887963921.db2.gz DIIGKIJLDAWZSG-IUCAKERBSA-N 0 3 296.331 -1.582 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2cccnc2)CCO1 ZINC001376853540 887963930 /nfs/dbraw/zinc/96/39/30/887963930.db2.gz KEXXITHFKRFQBY-GFCCVEGCSA-N 0 3 292.339 -1.074 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cc(C)n[nH]2)CCO1 ZINC001376842360 887963975 /nfs/dbraw/zinc/96/39/75/887963975.db2.gz SCOBOPUFXWMIAU-JTQLQIEISA-N 0 3 295.343 -1.105 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cc(C)[nH]n2)CCO1 ZINC001376842360 887963982 /nfs/dbraw/zinc/96/39/82/887963982.db2.gz SCOBOPUFXWMIAU-JTQLQIEISA-N 0 3 295.343 -1.105 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@]2(F)CCOC2)CCO1 ZINC001376867585 887963995 /nfs/dbraw/zinc/96/39/95/887963995.db2.gz NAEWJIOQRXKYRT-CABZTGNLSA-N 0 3 289.307 -1.583 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CC2(F)F)CCO1 ZINC001376845064 887964095 /nfs/dbraw/zinc/96/40/95/887964095.db2.gz JKKCLRRQHBVGGO-JGVFFNPUSA-N 0 3 277.271 -1.056 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NC[C@H](C)NCC(N)=O ZINC001376861340 887964114 /nfs/dbraw/zinc/96/41/14/887964114.db2.gz CVKJRAFTSHZUIB-MNOVXSKESA-N 0 3 286.376 -1.466 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001376861642 887964317 /nfs/dbraw/zinc/96/43/17/887964317.db2.gz DIIGKIJLDAWZSG-DTWKUNHWSA-N 0 3 296.331 -1.582 20 0 CAADHN CC[C@H](NC[C@@H]1CN(C(=O)c2cnon2)CCO1)C(N)=O ZINC001376854403 887964357 /nfs/dbraw/zinc/96/43/57/887964357.db2.gz VPGFDXNMRVCPJQ-BDAKNGLRSA-N 0 3 297.315 -1.236 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)N[C@@H]1CCCNC1=O ZINC001376858278 887964366 /nfs/dbraw/zinc/96/43/66/887964366.db2.gz CQAARFBBXKPHTE-VHSXEESVSA-N 0 3 280.332 -1.349 20 0 CAADHN CCn1nccc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001376854107 887964380 /nfs/dbraw/zinc/96/43/80/887964380.db2.gz KYALPUUIZQGOLL-JTQLQIEISA-N 0 3 295.343 -1.181 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001376844475 887964421 /nfs/dbraw/zinc/96/44/21/887964421.db2.gz QHJIBLVXXVYPSK-QMMMGPOBSA-N 0 3 282.304 -2.019 20 0 CAADHN C[C@@H](CNC(=O)[C@@H](C)CN1CCOCC1)NCC(N)=O ZINC001376861343 887964494 /nfs/dbraw/zinc/96/44/94/887964494.db2.gz CVKJRAFTSHZUIB-QWRGUYRKSA-N 0 3 286.376 -1.466 20 0 CAADHN Cc1cnc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)cn1 ZINC001376846392 887964516 /nfs/dbraw/zinc/96/45/16/887964516.db2.gz YDDOOFFOWHPOLM-JTQLQIEISA-N 0 3 293.327 -1.299 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cn(C)cn2)CCO1)C(N)=O ZINC001376851904 887964542 /nfs/dbraw/zinc/96/45/42/887964542.db2.gz HEBZYAQOKVOGPX-ZJUUUORDSA-N 0 3 295.343 -1.276 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cccc(C(N)=O)n1 ZINC001376884745 887965599 /nfs/dbraw/zinc/96/55/99/887965599.db2.gz KVKRYXQVCBEYFU-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCCN(C)C2=O)C1 ZINC001376884082 887965880 /nfs/dbraw/zinc/96/58/80/887965880.db2.gz LBRUAVNVHWRKHT-NWDGAFQWSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001376899044 887965934 /nfs/dbraw/zinc/96/59/34/887965934.db2.gz PVEVTDVDLWTLSS-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001376899361 887966015 /nfs/dbraw/zinc/96/60/15/887966015.db2.gz TXEFSCSFEKFSCS-QMMMGPOBSA-N 0 3 294.315 -1.331 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)ccc2=O)C1 ZINC001376909811 887966120 /nfs/dbraw/zinc/96/61/20/887966120.db2.gz IIHBMPBOQDKKJT-JTQLQIEISA-N 0 3 292.339 -1.065 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001376919285 887966146 /nfs/dbraw/zinc/96/61/46/887966146.db2.gz WYRFXGMUYXZEQS-ZJUUUORDSA-N 0 3 280.332 -1.397 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)nn1 ZINC001376896412 887966243 /nfs/dbraw/zinc/96/62/43/887966243.db2.gz BEXXFWSKGRABFQ-ZETCQYMHSA-N 0 3 295.303 -2.186 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001376898508 887966465 /nfs/dbraw/zinc/96/64/65/887966465.db2.gz PHKDGUIBPZJWBD-CABZTGNLSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@H](CNC(=O)Cn1ccnc1)N[C@@H](C)C(=O)NC(N)=O ZINC001376887671 887967432 /nfs/dbraw/zinc/96/74/32/887967432.db2.gz QXYLNADHJHUJMG-BDAKNGLRSA-N 0 3 296.331 -1.439 20 0 CAADHN COc1nc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)co1 ZINC001376877384 887967229 /nfs/dbraw/zinc/96/72/29/887967229.db2.gz VZCKOXFJBBAFHL-QMMMGPOBSA-N 0 3 298.299 -1.401 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1)NC1CC1 ZINC001376899445 887967316 /nfs/dbraw/zinc/96/73/16/887967316.db2.gz XJVLDCYHCVDVGR-VHSXEESVSA-N 0 3 296.327 -1.436 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001376919284 887967354 /nfs/dbraw/zinc/96/73/54/887967354.db2.gz WYRFXGMUYXZEQS-UWVGGRQHSA-N 0 3 280.332 -1.397 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001376921574 887967371 /nfs/dbraw/zinc/96/73/71/887967371.db2.gz KSXBYWZTEZOJPR-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001376901105 887967546 /nfs/dbraw/zinc/96/75/46/887967546.db2.gz CDEPSIPMGRYAJH-DTWKUNHWSA-N 0 3 283.332 -2.006 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001376895614 887967630 /nfs/dbraw/zinc/96/76/30/887967630.db2.gz JKVYPUONQRXATB-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001376901108 887967782 /nfs/dbraw/zinc/96/77/82/887967782.db2.gz CDEPSIPMGRYAJH-IUCAKERBSA-N 0 3 283.332 -2.006 20 0 CAADHN CC(C)OCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001376894354 887967818 /nfs/dbraw/zinc/96/78/18/887967818.db2.gz AVZFKFHMMAHQJM-VIFPVBQESA-N 0 3 286.332 -1.203 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC001376896478 887967935 /nfs/dbraw/zinc/96/79/35/887967935.db2.gz OBYRAOQGDMTEHK-VHSXEESVSA-N 0 3 298.343 -1.059 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001376899347 887967966 /nfs/dbraw/zinc/96/79/66/887967966.db2.gz SNQOHHRFCQREBN-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)N[C@@H]1CCNC1=O ZINC001376929362 887969118 /nfs/dbraw/zinc/96/91/18/887969118.db2.gz OIOMFSOFXLFFIO-GXSJLCMTSA-N 0 3 294.359 -1.270 20 0 CAADHN C[C@H](CNC(=O)CCc1cn(C)nn1)N[C@@H]1CCNC1=O ZINC001376929365 887970852 /nfs/dbraw/zinc/97/08/52/887970852.db2.gz OIOMFSOFXLFFIO-MWLCHTKSSA-N 0 3 294.359 -1.270 20 0 CAADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)N[C@H]1CCNC1=O ZINC001376929368 887970963 /nfs/dbraw/zinc/97/09/63/887970963.db2.gz OIOMFSOFXLFFIO-ONGXEEELSA-N 0 3 294.359 -1.270 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1COCCO1 ZINC001377125490 887976651 /nfs/dbraw/zinc/97/66/51/887976651.db2.gz CRIOBBXHWDURIU-QWRGUYRKSA-N 0 3 276.333 -1.543 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CN1CCCS1(=O)=O ZINC001377163108 887977935 /nfs/dbraw/zinc/97/79/35/887977935.db2.gz MBXRQYRQOWZVIK-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1cn[nH]c(=O)c1 ZINC001377172055 887978383 /nfs/dbraw/zinc/97/83/83/887978383.db2.gz OHOBBLORXQFNNJ-JTQLQIEISA-N 0 3 284.316 -1.149 20 0 CAADHN Cc1nc(CC(=O)NCCN(C)[C@H]2CCCNC2=O)n[nH]1 ZINC001377148685 887978445 /nfs/dbraw/zinc/97/84/45/887978445.db2.gz ILWCJWPOOSLGKU-JTQLQIEISA-N 0 3 294.359 -1.018 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)C[C@H]1CCNC1=O ZINC001377168544 887978643 /nfs/dbraw/zinc/97/86/43/887978643.db2.gz VKABZDISALDLEL-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN Cc1nc(CC(=O)NCCN(C)[C@@H]2CCCNC2=O)n[nH]1 ZINC001377148686 887979208 /nfs/dbraw/zinc/97/92/08/887979208.db2.gz ILWCJWPOOSLGKU-SNVBAGLBSA-N 0 3 294.359 -1.018 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001377212120 887982053 /nfs/dbraw/zinc/98/20/53/887982053.db2.gz CGAKUOOHVYPSBU-MFKMUULPSA-N 0 3 287.360 -1.290 20 0 CAADHN CCn1nncc1C(=O)NCCN(C)C[C@@H](O)COC ZINC001377181074 887982554 /nfs/dbraw/zinc/98/25/54/887982554.db2.gz PBHWMZGMHCNGKQ-SNVBAGLBSA-N 0 3 285.348 -1.033 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001377215891 887982612 /nfs/dbraw/zinc/98/26/12/887982612.db2.gz YJROPYAPTCCPOT-VIFPVBQESA-N 0 3 286.332 -1.205 20 0 CAADHN CNC(=O)NC(=O)CN(C)CCNC(=O)[C@H]1CCCN1C ZINC001377205714 887983327 /nfs/dbraw/zinc/98/33/27/887983327.db2.gz LHPJPKBWFCGMSJ-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)Cn1ccnc1 ZINC001377273476 887985317 /nfs/dbraw/zinc/98/53/17/887985317.db2.gz GBDRDSXAEIEAFH-LLVKDONJSA-N 0 3 270.333 -1.062 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1NCC(=O)N(C)C ZINC001377255916 887985364 /nfs/dbraw/zinc/98/53/64/887985364.db2.gz NYINGZKTCQQDRE-ZJUUUORDSA-N 0 3 295.347 -1.802 20 0 CAADHN COCCC(=O)N1C[C@H](NCC(=O)NC(N)=O)[C@@H](C)C1 ZINC001377258351 887985439 /nfs/dbraw/zinc/98/54/39/887985439.db2.gz XHPVUQLKALBQFS-IUCAKERBSA-N 0 3 286.332 -1.346 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C ZINC001377255464 887988217 /nfs/dbraw/zinc/98/82/17/887988217.db2.gz AQHXWFCDAPDIDI-IUCAKERBSA-N 0 3 280.332 -1.389 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001377255455 887988228 /nfs/dbraw/zinc/98/82/28/887988228.db2.gz AQHXWFCDAPDIDI-BDAKNGLRSA-N 0 3 280.332 -1.389 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@H](NCC(=O)N(C)C)[C@@H](C)C1 ZINC001377262361 887988267 /nfs/dbraw/zinc/98/82/67/887988267.db2.gz WZMDZGOXCQKMOU-UWVGGRQHSA-N 0 3 299.375 -1.560 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@@H]1C ZINC001377277838 887989551 /nfs/dbraw/zinc/98/95/51/887989551.db2.gz OLSHSWBYXLCFCB-IONNQARKSA-N 0 3 280.332 -1.091 20 0 CAADHN C[C@@H](NCC1(O)CCN(C(=O)[C@@H]2CCOC2)CC1)C(N)=O ZINC001377343614 887990335 /nfs/dbraw/zinc/99/03/35/887990335.db2.gz UNLNOCQJUCOKRX-GHMZBOCLSA-N 0 3 299.371 -1.160 20 0 CAADHN CCN(CCNC(=O)CNC(=O)NC)CCn1cncn1 ZINC001377307916 887990566 /nfs/dbraw/zinc/99/05/66/887990566.db2.gz DCDQSMOOWXIMEY-UHFFFAOYSA-N 0 3 297.363 -1.355 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001377279807 887990831 /nfs/dbraw/zinc/99/08/31/887990831.db2.gz PYEBJQTXUDTUIH-SFYZADRCSA-N 0 3 281.320 -1.994 20 0 CAADHN C[C@@H](NCC1(O)CCN(C(=O)[C@H]2CCOC2)CC1)C(N)=O ZINC001377343616 887991250 /nfs/dbraw/zinc/99/12/50/887991250.db2.gz UNLNOCQJUCOKRX-MNOVXSKESA-N 0 3 299.371 -1.160 20 0 CAADHN CCO[C@H]1C[C@H]1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001377344086 887991567 /nfs/dbraw/zinc/99/15/67/887991567.db2.gz VYIOCSIHSNSTLJ-MNOVXSKESA-N 0 3 299.371 -1.160 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001377355544 887993194 /nfs/dbraw/zinc/99/31/94/887993194.db2.gz IMBSCPRMRPVRQY-UHFFFAOYSA-N 0 3 294.355 -1.014 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)c2cnon2)CC1 ZINC001377352682 887994285 /nfs/dbraw/zinc/99/42/85/887994285.db2.gz BUKSOHKJYGOMQV-UHFFFAOYSA-N 0 3 297.315 -1.628 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001377402217 887994389 /nfs/dbraw/zinc/99/43/89/887994389.db2.gz YHYAMHKCVUPSIN-UWVGGRQHSA-N 0 3 298.347 -1.588 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC001377402219 887994844 /nfs/dbraw/zinc/99/48/44/887994844.db2.gz YHYAMHKCVUPSIN-ZJUUUORDSA-N 0 3 298.347 -1.588 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)NCCN(CCO)C1CC1 ZINC001377566775 887999847 /nfs/dbraw/zinc/99/98/47/887999847.db2.gz ODGDFCRNJJEWGS-UHFFFAOYSA-N 0 3 298.343 -1.499 20 0 CAADHN NC(=O)CN(CCNC(=O)CCc1cnn[nH]1)C1CC1 ZINC001377551172 887999918 /nfs/dbraw/zinc/99/99/18/887999918.db2.gz BEKAZRBFRZYFKD-UHFFFAOYSA-N 0 3 280.332 -1.197 20 0 CAADHN CN1C[C@H](C(=O)NCCN(CCO)C2CC2)NC1=O ZINC001377548871 888000153 /nfs/dbraw/zinc/00/01/53/888000153.db2.gz XXWGIECGRYKHCL-SNVBAGLBSA-N 0 3 270.333 -1.417 20 0 CAADHN CC(=O)NCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001377550179 888000197 /nfs/dbraw/zinc/00/01/97/888000197.db2.gz LLJACEORYULGQN-UHFFFAOYSA-N 0 3 273.333 -1.942 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)[C@H](C)NC(N)=O)C1=O ZINC001377572940 888001161 /nfs/dbraw/zinc/00/11/61/888001161.db2.gz AXPGMOBFZNHOQF-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)Cn1cnnn1 ZINC001377573224 888001504 /nfs/dbraw/zinc/00/15/04/888001504.db2.gz QXGJQQNRMCLNKG-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccon1)C(=O)NC(N)=O ZINC001377569456 888001736 /nfs/dbraw/zinc/00/17/36/888001736.db2.gz GHVKMBMYEVMXEV-SSDOTTSWSA-N 0 3 283.288 -1.080 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)C1=COCCO1 ZINC001377541087 888002782 /nfs/dbraw/zinc/00/27/82/888002782.db2.gz FSHBNFRWRFFQHZ-UHFFFAOYSA-N 0 3 286.328 -1.190 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001377576914 888003647 /nfs/dbraw/zinc/00/36/47/888003647.db2.gz RTYXQBUPLJLTHG-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN1CCC(=O)NC1=O)C(N)=O ZINC001377590776 888003804 /nfs/dbraw/zinc/00/38/04/888003804.db2.gz FJJKULYWANQMFF-QMMMGPOBSA-N 0 3 299.331 -2.150 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)CCN[C@@H](C)C(=O)N(C)C)C1 ZINC001377581432 888003868 /nfs/dbraw/zinc/00/38/68/888003868.db2.gz WJRTYGNBWYIWEF-JTQLQIEISA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccc(C(N)=O)nc1)C(N)=O ZINC001377607661 888004004 /nfs/dbraw/zinc/00/40/04/888004004.db2.gz ZHWNNHCOCLUFTP-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001377576097 888004102 /nfs/dbraw/zinc/00/41/02/888004102.db2.gz AYOHMOBCIPUFIQ-QWRGUYRKSA-N 0 3 299.371 -1.411 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CCn1ccnn1 ZINC001377575188 888004262 /nfs/dbraw/zinc/00/42/62/888004262.db2.gz IMXKGTVXDUONNU-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001377588921 888004329 /nfs/dbraw/zinc/00/43/29/888004329.db2.gz HCAAKWNSWGRNPD-KXUCPTDWSA-N 0 3 282.344 -1.566 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001377584149 888004369 /nfs/dbraw/zinc/00/43/69/888004369.db2.gz BZVCHIMKQCKFOE-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCNC(=O)CC1)C(N)=O ZINC001377584636 888004707 /nfs/dbraw/zinc/00/47/07/888004707.db2.gz BZGDNAYZHNCXLA-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCn1cnccc1=O)C(N)=O ZINC001377595429 888004963 /nfs/dbraw/zinc/00/49/63/888004963.db2.gz NOEZHSYQDZMLRT-SNVBAGLBSA-N 0 3 295.343 -1.445 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN1CCNC(=O)C1)C(N)=O ZINC001377583317 888005321 /nfs/dbraw/zinc/00/53/21/888005321.db2.gz XWSMXZSXGPMFAY-SECBINFHSA-N 0 3 285.348 -2.660 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001377589203 888005390 /nfs/dbraw/zinc/00/53/90/888005390.db2.gz HTMBMFDBUPSNEI-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cnco1)C(=O)NC(N)=O ZINC001377594018 888005481 /nfs/dbraw/zinc/00/54/81/888005481.db2.gz WUVBYSVAOZGFMR-SSDOTTSWSA-N 0 3 283.288 -1.080 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001377582976 888005519 /nfs/dbraw/zinc/00/55/19/888005519.db2.gz VTUBFACRJQETPT-YUMQZZPRSA-N 0 3 271.321 -2.068 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001377576220 888005539 /nfs/dbraw/zinc/00/55/39/888005539.db2.gz RTYXQBUPLJLTHG-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN O=C(CCn1cnnn1)NC1(CO)CCN(CCO)CC1 ZINC001377579984 888005576 /nfs/dbraw/zinc/00/55/76/888005576.db2.gz JIEAYKXGIVUBGT-UHFFFAOYSA-N 0 3 298.347 -2.001 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCNC(=O)CC1)C(N)=O ZINC001377584632 888005612 /nfs/dbraw/zinc/00/56/12/888005612.db2.gz BZGDNAYZHNCXLA-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001377582974 888005626 /nfs/dbraw/zinc/00/56/26/888005626.db2.gz VTUBFACRJQETPT-JGVFFNPUSA-N 0 3 271.321 -2.068 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCn1cnccc1=O)C(N)=O ZINC001377595422 888005737 /nfs/dbraw/zinc/00/57/37/888005737.db2.gz NOEZHSYQDZMLRT-JTQLQIEISA-N 0 3 295.343 -1.445 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cc2n(n1)CCO2)C(N)=O ZINC001377578161 888005827 /nfs/dbraw/zinc/00/58/27/888005827.db2.gz UPUMVVBPZVWUAP-MRVPVSSYSA-N 0 3 281.316 -1.189 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001377595296 888005845 /nfs/dbraw/zinc/00/58/45/888005845.db2.gz XSGDPDLHOSFHKN-UWVGGRQHSA-N 0 3 283.328 -1.124 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001377593329 888005940 /nfs/dbraw/zinc/00/59/40/888005940.db2.gz OWAZJQCOCOCHKO-SNVBAGLBSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cnn(C)n1)C(=O)N(C)C ZINC001377594300 888005966 /nfs/dbraw/zinc/00/59/66/888005966.db2.gz PWRCPWZRYSFIIB-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001377589560 888006295 /nfs/dbraw/zinc/00/62/95/888006295.db2.gz HWRJQKSUPMXRFW-YIZRAAEISA-N 0 3 270.333 -1.710 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001377595162 888006470 /nfs/dbraw/zinc/00/64/70/888006470.db2.gz PQNXBQSQKJVBSJ-NSHDSACASA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H](C)NC(N)=O)C(=O)N(C)C ZINC001377578628 888006501 /nfs/dbraw/zinc/00/65/01/888006501.db2.gz PKNNCLYZSMGPOP-IUCAKERBSA-N 0 3 287.364 -1.432 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1ncnn1)C(=O)NC1CC1 ZINC001377574558 888006662 /nfs/dbraw/zinc/00/66/62/888006662.db2.gz GJCUORFYDGHBQB-VIFPVBQESA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccc(=O)n(C)c1)C(N)=O ZINC001377674111 888008047 /nfs/dbraw/zinc/00/80/47/888008047.db2.gz XYUWTFHGNDWXMV-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN CCN1CCN(CCN(C)C(=O)Cn2cnnn2)CC1 ZINC001377734158 888008765 /nfs/dbraw/zinc/00/87/65/888008765.db2.gz HMGINKZBHOUROF-UHFFFAOYSA-N 0 3 281.364 -1.231 20 0 CAADHN CN(CCO)C[C@H]1CCCN1C(=O)CN1CCOCC1=O ZINC001377643710 888010127 /nfs/dbraw/zinc/01/01/27/888010127.db2.gz WAZJRTVUUGXNSI-GFCCVEGCSA-N 0 3 299.371 -1.240 20 0 CAADHN C[C@@H](NC(=O)c1nnn(C)n1)[C@H](C)NCC(=O)N1CCC1 ZINC001377828952 888010856 /nfs/dbraw/zinc/01/08/56/888010856.db2.gz ACNNHFIYGOFIAD-DTWKUNHWSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001377819798 888010874 /nfs/dbraw/zinc/01/08/74/888010874.db2.gz SHIHFFHUCMHBKY-IUCAKERBSA-N 0 3 298.347 -2.060 20 0 CAADHN C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001377828967 888010884 /nfs/dbraw/zinc/01/08/84/888010884.db2.gz ACNNHFIYGOFIAD-RKDXNWHRSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001377755700 888011120 /nfs/dbraw/zinc/01/11/20/888011120.db2.gz MOGGHQDRUSLPFN-VHSXEESVSA-N 0 3 295.347 -1.673 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc2n[nH]nc2n1 ZINC001377827682 888011470 /nfs/dbraw/zinc/01/14/70/888011470.db2.gz PXAVIVWGOQXANB-BQBZGAKWSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001377828947 888011713 /nfs/dbraw/zinc/01/17/13/888011713.db2.gz ACNNHFIYGOFIAD-BDAKNGLRSA-N 0 3 295.347 -1.461 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)[C@H](C)NCC(=O)N1CCC1 ZINC001377749460 888011783 /nfs/dbraw/zinc/01/17/83/888011783.db2.gz GGVOOCGZCREWDQ-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1ccc2n[nH]nc2n1 ZINC001377827688 888011798 /nfs/dbraw/zinc/01/17/98/888011798.db2.gz PXAVIVWGOQXANB-RNFRBKRXSA-N 0 3 291.315 -1.065 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC1CC1 ZINC001377757548 888011908 /nfs/dbraw/zinc/01/19/08/888011908.db2.gz GNBKOLHLQKYOGR-RKDXNWHRSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001377749440 888012461 /nfs/dbraw/zinc/01/24/61/888012461.db2.gz GGVOOCGZCREWDQ-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001377755693 888012523 /nfs/dbraw/zinc/01/25/23/888012523.db2.gz MOGGHQDRUSLPFN-UWVGGRQHSA-N 0 3 295.347 -1.673 20 0 CAADHN C[C@@H](NC(=O)c1cn(C)cn1)[C@H](C)NCC(=O)NC(N)=O ZINC001377788575 888012679 /nfs/dbraw/zinc/01/26/79/888012679.db2.gz QJIRRUNWHHGDQZ-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001377800729 888012985 /nfs/dbraw/zinc/01/29/85/888012985.db2.gz IGXICKXEWJCOBQ-BQBZGAKWSA-N 0 3 277.346 -2.001 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001377800732 888013982 /nfs/dbraw/zinc/01/39/82/888013982.db2.gz IGXICKXEWJCOBQ-RNFRBKRXSA-N 0 3 277.346 -2.001 20 0 CAADHN C[C@@H](NC(=O)c1ccc2n[nH]nc2n1)[C@H](C)NCC(N)=O ZINC001377827685 888014061 /nfs/dbraw/zinc/01/40/61/888014061.db2.gz PXAVIVWGOQXANB-NKWVEPMBSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001377813260 888014080 /nfs/dbraw/zinc/01/40/80/888014080.db2.gz VLIKXMUVCBWQOD-YUMQZZPRSA-N 0 3 281.316 -1.638 20 0 CAADHN C[C@@H](NCCF)[C@@H](C)NC(=O)CNS(=O)(=O)N(C)C ZINC001377856321 888016862 /nfs/dbraw/zinc/01/68/62/888016862.db2.gz GPXDZLWNBLYKRC-RKDXNWHRSA-N 0 3 298.384 -1.165 20 0 CAADHN C[C@@H](NC(=O)Cc1nnc[n-]1)[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001377879816 888018203 /nfs/dbraw/zinc/01/82/03/888018203.db2.gz HEYTVHLKLNFJGQ-RKDXNWHRSA-N 0 3 282.348 -1.082 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCc1cn(C)nn1 ZINC001377911263 888018472 /nfs/dbraw/zinc/01/84/72/888018472.db2.gz VTVUPJBQJDJXPI-NXEZZACHSA-N 0 3 296.375 -1.024 20 0 CAADHN C[C@@H](NC(=O)c1ccc(=O)n(C)n1)[C@H](C)NCC(N)=O ZINC001377909768 888018988 /nfs/dbraw/zinc/01/89/88/888018988.db2.gz WGLNZDMMSJIRAF-JGVFFNPUSA-N 0 3 281.316 -1.638 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCc1cn(C)nn1 ZINC001377911269 888019357 /nfs/dbraw/zinc/01/93/57/888019357.db2.gz VTVUPJBQJDJXPI-VHSXEESVSA-N 0 3 296.375 -1.024 20 0 CAADHN C[C@H](NC(=O)Cc1nnc[n-]1)[C@H](C)[NH2+]CC(=O)N(C)C ZINC001377879814 888019689 /nfs/dbraw/zinc/01/96/89/888019689.db2.gz HEYTVHLKLNFJGQ-IUCAKERBSA-N 0 3 282.348 -1.082 20 0 CAADHN CC[C@H](C(=O)NC1CN([C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001377930986 888020974 /nfs/dbraw/zinc/02/09/74/888020974.db2.gz CLNCBVPOXYQWPX-WCBMZHEXSA-N 0 3 299.375 -1.290 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN([C@H](C)C(=O)NC(N)=O)C1 ZINC001377953821 888022249 /nfs/dbraw/zinc/02/22/49/888022249.db2.gz WCWPOZJXOAKSIU-SECBINFHSA-N 0 3 299.375 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)c2ccc(=O)[nH]n2)C1 ZINC001377957685 888022337 /nfs/dbraw/zinc/02/23/37/888022337.db2.gz ZEZGAIHGZSBMAW-JTQLQIEISA-N 0 3 296.327 -1.149 20 0 CAADHN CC[C@H](C(=O)NC1CN([C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001377930983 888023182 /nfs/dbraw/zinc/02/31/82/888023182.db2.gz CLNCBVPOXYQWPX-PSASIEDQSA-N 0 3 299.375 -1.290 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001377989298 888024295 /nfs/dbraw/zinc/02/42/95/888024295.db2.gz VCFGCUMAVIUAKV-VXGBXAGGSA-N 0 3 299.371 -1.338 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001377987308 888026137 /nfs/dbraw/zinc/02/61/37/888026137.db2.gz WASHEKUDYDADHC-JTQLQIEISA-N 0 3 296.327 -1.561 20 0 CAADHN CCN1CC(CNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001378013514 888028182 /nfs/dbraw/zinc/02/81/82/888028182.db2.gz AQMMAZWCLXNIMX-SECBINFHSA-N 0 3 295.347 -1.754 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001378065233 888033381 /nfs/dbraw/zinc/03/33/81/888033381.db2.gz AAVBQNNJIQJTAC-GARJFASQSA-N 0 3 287.360 -1.304 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001378098984 888033489 /nfs/dbraw/zinc/03/34/89/888033489.db2.gz DJQCLKACWIEAFD-WCQGTBRESA-N 0 3 287.360 -1.291 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H]1CCN(C[C@H](C)O)C1 ZINC001378059211 888034439 /nfs/dbraw/zinc/03/44/39/888034439.db2.gz VNQVGXMOKPJUTH-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001378110617 888035311 /nfs/dbraw/zinc/03/53/11/888035311.db2.gz QLWGBIPQJRCTLA-QJPTWQEYSA-N 0 3 299.371 -1.338 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1 ZINC001378098987 888036088 /nfs/dbraw/zinc/03/60/88/888036088.db2.gz DJQCLKACWIEAFD-YUSALJHKSA-N 0 3 287.360 -1.291 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001378112886 888039026 /nfs/dbraw/zinc/03/90/26/888039026.db2.gz IHPJSKIVRRBVPH-SNVBAGLBSA-N 0 3 293.389 -1.501 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)c2cn[nH]n2)C1 ZINC001378141443 888039192 /nfs/dbraw/zinc/03/91/92/888039192.db2.gz BZOSVWINQLGKKM-NXEZZACHSA-N 0 3 283.332 -1.042 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001378112594 888039322 /nfs/dbraw/zinc/03/93/22/888039322.db2.gz AAVBQNNJIQJTAC-HBNTYKKESA-N 0 3 287.360 -1.304 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H](COC)OC)C1 ZINC001378115784 888039767 /nfs/dbraw/zinc/03/97/67/888039767.db2.gz MDIOACKYEFXNJF-UTUOFQBUSA-N 0 3 290.360 -1.154 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001378115143 888039811 /nfs/dbraw/zinc/03/98/11/888039811.db2.gz FZSGNAIZQHEDFA-WDEREUQCSA-N 0 3 297.359 -1.457 20 0 CAADHN CN(C(=O)CCCS(N)(=O)=O)[C@@H]1CCN(CCO)C1 ZINC001378164676 888040298 /nfs/dbraw/zinc/04/02/98/888040298.db2.gz JZGKQQWZNSGBPC-SNVBAGLBSA-N 0 3 293.389 -1.420 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001378134412 888041084 /nfs/dbraw/zinc/04/10/84/888041084.db2.gz CQITWRSYAVDIGV-SNVBAGLBSA-N 0 3 299.375 -1.288 20 0 CAADHN COC[C@@H](OC)C(=O)N[C@@H]1CCN(C[C@H](O)COC)C1 ZINC001378115782 888041608 /nfs/dbraw/zinc/04/16/08/888041608.db2.gz MDIOACKYEFXNJF-GRYCIOLGSA-N 0 3 290.360 -1.154 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001378187862 888043134 /nfs/dbraw/zinc/04/31/34/888043134.db2.gz CLZBTCVRVCPQHN-QWRGUYRKSA-N 0 3 297.359 -1.113 20 0 CAADHN CCN(C(=O)Cn1cnnn1)[C@H]1CCN(C[C@H](C)O)C1 ZINC001378175586 888044007 /nfs/dbraw/zinc/04/40/07/888044007.db2.gz FMBZWFBPHUJVBI-QWRGUYRKSA-N 0 3 282.348 -1.023 20 0 CAADHN CC[C@H](CNC(=O)c1cn[nH]c1)NCC(=O)NC(=O)NC ZINC001378231957 888043731 /nfs/dbraw/zinc/04/37/31/888043731.db2.gz IYBPFAYYSMOHPK-SECBINFHSA-N 0 3 296.331 -1.037 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1COCCO1)NCC(=O)NC ZINC001378216926 888043846 /nfs/dbraw/zinc/04/38/46/888043846.db2.gz AAUKUADTROZWHS-ZJUUUORDSA-N 0 3 273.333 -1.368 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1COCCO1)NCC(=O)NC ZINC001378216924 888044397 /nfs/dbraw/zinc/04/43/97/888044397.db2.gz AAUKUADTROZWHS-UWVGGRQHSA-N 0 3 273.333 -1.368 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)N[C@@H]1CCNC1=O ZINC001378251319 888046802 /nfs/dbraw/zinc/04/68/02/888046802.db2.gz SCMFIMPGKYWDHB-RKDXNWHRSA-N 0 3 281.320 -1.954 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(N)=O ZINC001378258508 888046909 /nfs/dbraw/zinc/04/69/09/888046909.db2.gz RJFFECXQLZHYLD-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(C)nn1)N[C@H]1CCNC1=O ZINC001378244962 888048240 /nfs/dbraw/zinc/04/82/40/888048240.db2.gz FTCRAIHBKUQQBZ-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N(C)CC ZINC001378279238 888048291 /nfs/dbraw/zinc/04/82/91/888048291.db2.gz AHEYIAUAQNZDIC-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@H](CNC(=O)c1cn(C)nn1)N[C@@H]1CCNC1=O ZINC001378244970 888048485 /nfs/dbraw/zinc/04/84/85/888048485.db2.gz FTCRAIHBKUQQBZ-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCCNC1=O)NCC(N)=O ZINC001378276396 888048883 /nfs/dbraw/zinc/04/88/83/888048883.db2.gz UZZKMHOTAOUUFF-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncnn1)N[C@@H]1CCNC1=O ZINC001378251317 888049286 /nfs/dbraw/zinc/04/92/86/888049286.db2.gz SCMFIMPGKYWDHB-DTWKUNHWSA-N 0 3 281.320 -1.954 20 0 CAADHN CC[C@H](CNC(=O)C[C@H](C)NC(N)=O)NCC(=O)NC ZINC001378254685 888049392 /nfs/dbraw/zinc/04/93/92/888049392.db2.gz YKIAGMVHBAVMRW-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)NCc1n[nH]c(C)n1 ZINC001378305304 888049922 /nfs/dbraw/zinc/04/99/22/888049922.db2.gz UEMQLAVROUFMRJ-MRVPVSSYSA-N 0 3 293.335 -1.065 20 0 CAADHN CC[C@H](CNC(=O)c1cnn(C)n1)N[C@H]1CCNC1=O ZINC001378294321 888050050 /nfs/dbraw/zinc/05/00/50/888050050.db2.gz NDYGMDMCYGCHEP-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cncn1)NCC(=O)N(C)C ZINC001378323459 888050335 /nfs/dbraw/zinc/05/03/35/888050335.db2.gz DANUFWRSLMNTPN-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN CCN1CC([C@H](C)NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001378517351 888055347 /nfs/dbraw/zinc/05/53/47/888055347.db2.gz VHKJTURLQRGZLH-QMMMGPOBSA-N 0 3 280.332 -1.167 20 0 CAADHN CC[C@@H](CNC(=O)CCc1cnn(C)n1)NCC(N)=O ZINC001378306696 888051133 /nfs/dbraw/zinc/05/11/33/888051133.db2.gz XRGRWSKXNZOBBA-VIFPVBQESA-N 0 3 282.348 -1.283 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)NC ZINC001378319930 888051800 /nfs/dbraw/zinc/05/18/00/888051800.db2.gz RAKXUDCABFZQFB-IUCAKERBSA-N 0 3 270.333 -1.505 20 0 CAADHN CC[C@@H](CNC(=O)c1cnn(C)n1)N[C@@H]1CCNC1=O ZINC001378294327 888052162 /nfs/dbraw/zinc/05/21/62/888052162.db2.gz NDYGMDMCYGCHEP-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@H](CNC(=O)c1ccn(C)n1)NCC(=O)NC(N)=O ZINC001378339367 888052842 /nfs/dbraw/zinc/05/28/42/888052842.db2.gz JYCGLAAMGKWTAU-MRVPVSSYSA-N 0 3 296.331 -1.287 20 0 CAADHN CC[C@H](CNC(=O)Cn1cncn1)NCC(=O)N(C)C ZINC001378323461 888053272 /nfs/dbraw/zinc/05/32/72/888053272.db2.gz DANUFWRSLMNTPN-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CNC(=O)C1CC1 ZINC001378487729 888054268 /nfs/dbraw/zinc/05/42/68/888054268.db2.gz ISKVNWXLGTUUBR-SNVBAGLBSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)CNCC1(NC(=O)CCNC(N)=O)CCCC1 ZINC001378382215 888054351 /nfs/dbraw/zinc/05/43/51/888054351.db2.gz IIFQUMWVBCADCJ-UHFFFAOYSA-N 0 3 299.375 -1.191 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)Cn1ncnn1)C1CC1 ZINC001378398976 888054875 /nfs/dbraw/zinc/05/48/75/888054875.db2.gz LKJWYFVRTSNNQC-GFCCVEGCSA-N 0 3 295.347 -1.706 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H]1CNCC(=O)NC1CC1 ZINC001378490888 888055203 /nfs/dbraw/zinc/05/52/03/888055203.db2.gz ZUABLLXSBPOPKW-GFCCVEGCSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001378487628 888056154 /nfs/dbraw/zinc/05/61/54/888056154.db2.gz KUCWVYLYFPBFEW-WCBMZHEXSA-N 0 3 270.333 -1.423 20 0 CAADHN COC[C@H](O)CN1CC([C@H](C)NC(=O)c2cn(C)nn2)C1 ZINC001378490956 888056186 /nfs/dbraw/zinc/05/61/86/888056186.db2.gz ADMSGIZLLLSIBC-GXSJLCMTSA-N 0 3 297.359 -1.128 20 0 CAADHN CCN1CC([C@@H](C)NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001378517347 888056600 /nfs/dbraw/zinc/05/66/00/888056600.db2.gz VHKJTURLQRGZLH-MRVPVSSYSA-N 0 3 280.332 -1.167 20 0 CAADHN C[C@@H](O)CN1CC([C@H](C)NC(=O)Cn2ncn(C)c2=O)C1 ZINC001378520921 888056697 /nfs/dbraw/zinc/05/66/97/888056697.db2.gz QVWFXLSFAFAKEW-ZJUUUORDSA-N 0 3 297.359 -1.601 20 0 CAADHN COC[C@@H](O)CN1CC([C@@H](C)NC(=O)c2cnn(C)n2)C1 ZINC001378560654 888058561 /nfs/dbraw/zinc/05/85/61/888058561.db2.gz RBODHNWJAXGQNE-KOLCDFICSA-N 0 3 297.359 -1.128 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@H]1CCNC1=O ZINC001378609813 888061627 /nfs/dbraw/zinc/06/16/27/888061627.db2.gz CPBNFYYGKSXTRO-IUCAKERBSA-N 0 3 280.332 -1.422 20 0 CAADHN COC[C@@H](O)CN1CC([C@H](C)NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001378592771 888064381 /nfs/dbraw/zinc/06/43/81/888064381.db2.gz YNLLGPUITOJMSR-DLOVCJGASA-N 0 3 299.371 -1.291 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC001378709962 888065823 /nfs/dbraw/zinc/06/58/23/888065823.db2.gz HYWUCZQMZPUPTD-CNDDSTCGSA-N 0 3 291.355 -1.029 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)COC ZINC001378737940 888066218 /nfs/dbraw/zinc/06/62/18/888066218.db2.gz SUANRWXWVKTWET-IUCAKERBSA-N 0 3 288.348 -1.087 20 0 CAADHN O=C(CCc1cnn[nH]1)NC[C@H]1CN(CCCO)CCO1 ZINC001378694975 888066808 /nfs/dbraw/zinc/06/68/08/888066808.db2.gz ZSLVOKYBXJKQFC-LBPRGKRZSA-N 0 3 297.359 -1.063 20 0 CAADHN CCC(=O)N1CCO[C@H]([C@H](C)NCC(=O)NC(N)=O)C1 ZINC001378742006 888067195 /nfs/dbraw/zinc/06/71/95/888067195.db2.gz DTGSNTREMSCKRE-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CNC(C)=O ZINC001378728732 888067635 /nfs/dbraw/zinc/06/76/35/888067635.db2.gz QBXGWEPBLCINPA-DTWKUNHWSA-N 0 3 272.349 -1.307 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2c[nH]c(=O)cn2)CCCC1 ZINC001378709814 888068113 /nfs/dbraw/zinc/06/81/13/888068113.db2.gz KCNFDHORSLBQKR-UHFFFAOYSA-N 0 3 293.327 -1.113 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001378756943 888068676 /nfs/dbraw/zinc/06/86/76/888068676.db2.gz QZVQAKOZAFIZOH-UWVGGRQHSA-N 0 3 272.349 -1.761 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1ncn(C)n1 ZINC001378776828 888069062 /nfs/dbraw/zinc/06/90/62/888069062.db2.gz YJNONEYRLVHFPE-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@H](C)CN[C@H](C)C(N)=O ZINC001378775825 888069222 /nfs/dbraw/zinc/06/92/22/888069222.db2.gz WNHVYTDKDQTKLQ-RKDXNWHRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](NCCF)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001378778449 888069242 /nfs/dbraw/zinc/06/92/42/888069242.db2.gz ZJQSEOWXTFYKIG-VHSXEESVSA-N 0 3 286.311 -1.152 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001378803238 888069260 /nfs/dbraw/zinc/06/92/60/888069260.db2.gz LNEZFSXWMNLORE-IUCAKERBSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001378756948 888069286 /nfs/dbraw/zinc/06/92/86/888069286.db2.gz QZVQAKOZAFIZOH-ZJUUUORDSA-N 0 3 272.349 -1.761 20 0 CAADHN CCCNC(=O)CNC[C@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001378808550 888069357 /nfs/dbraw/zinc/06/93/57/888069357.db2.gz WCOSULXMRACCSB-VIFPVBQESA-N 0 3 297.363 -1.214 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001378768716 888069825 /nfs/dbraw/zinc/06/98/25/888069825.db2.gz LPVJPTDYTPUJTJ-RKDXNWHRSA-N 0 3 286.332 -1.381 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)c1nnn(C)n1 ZINC001378799175 888069894 /nfs/dbraw/zinc/06/98/94/888069894.db2.gz ARDPBBRUDDZGKJ-BDAKNGLRSA-N 0 3 297.363 -1.263 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CNC(=O)C1CC1 ZINC001378757205 888069979 /nfs/dbraw/zinc/06/99/79/888069979.db2.gz PPWVNEQPTHRBMV-IUCAKERBSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@@H](C)CNCC(N)=O)C1 ZINC001378772502 888070069 /nfs/dbraw/zinc/07/00/69/888070069.db2.gz UUIAYRLOIAVJQT-QMMMGPOBSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1nnn(C)n1 ZINC001378801964 888070095 /nfs/dbraw/zinc/07/00/95/888070095.db2.gz IZGNSCRWKAENAS-HTQZYQBOSA-N 0 3 281.320 -1.851 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001378755544 888070450 /nfs/dbraw/zinc/07/04/50/888070450.db2.gz GNXMVNKVPXRCCP-JGVFFNPUSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001378755544 888070461 /nfs/dbraw/zinc/07/04/61/888070461.db2.gz GNXMVNKVPXRCCP-JGVFFNPUSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1ncn(C)n1 ZINC001378776836 888070621 /nfs/dbraw/zinc/07/06/21/888070621.db2.gz YJNONEYRLVHFPE-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001378788491 888070729 /nfs/dbraw/zinc/07/07/29/888070729.db2.gz YOAYDRVCQKZRBD-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001378756942 888070924 /nfs/dbraw/zinc/07/09/24/888070924.db2.gz QZVQAKOZAFIZOH-NXEZZACHSA-N 0 3 272.349 -1.761 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)CC(C)(C)O)CCO1 ZINC001378768669 888070979 /nfs/dbraw/zinc/07/09/79/888070979.db2.gz PZKKKCOFKXNHAC-NXEZZACHSA-N 0 3 287.360 -1.162 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001378768686 888071095 /nfs/dbraw/zinc/07/10/95/888071095.db2.gz LPVJPTDYTPUJTJ-DTWKUNHWSA-N 0 3 286.332 -1.381 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001378755545 888071357 /nfs/dbraw/zinc/07/13/57/888071357.db2.gz GNXMVNKVPXRCCP-SFYZADRCSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001378755545 888071370 /nfs/dbraw/zinc/07/13/70/888071370.db2.gz GNXMVNKVPXRCCP-SFYZADRCSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CO[C@H]1CCOC1 ZINC001378777733 888071432 /nfs/dbraw/zinc/07/14/32/888071432.db2.gz KBJIWABRVDQESB-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001378772320 888071638 /nfs/dbraw/zinc/07/16/38/888071638.db2.gz FZCNNPPOGYPSEI-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@H](NC[C@@H](C)N(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001378801462 888072233 /nfs/dbraw/zinc/07/22/33/888072233.db2.gz HLHPBYIVMJYJCH-SFYZADRCSA-N 0 3 283.336 -1.476 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001378799176 888072300 /nfs/dbraw/zinc/07/23/00/888072300.db2.gz ARDPBBRUDDZGKJ-DTWKUNHWSA-N 0 3 297.363 -1.263 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CO[C@H]1CCOC1 ZINC001378777730 888072392 /nfs/dbraw/zinc/07/23/92/888072392.db2.gz KBJIWABRVDQESB-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001378838769 888072935 /nfs/dbraw/zinc/07/29/35/888072935.db2.gz ATLDSQXVRHXQHW-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001378816875 888073165 /nfs/dbraw/zinc/07/31/65/888073165.db2.gz IINSVAHTUMAGKP-QMMMGPOBSA-N 0 3 293.389 -1.269 20 0 CAADHN CC(C)C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1nnn(C)n1 ZINC001378874591 888073554 /nfs/dbraw/zinc/07/35/54/888073554.db2.gz PVJCSXYTIMXFAH-DTWKUNHWSA-N 0 3 297.363 -1.182 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001378832659 888073734 /nfs/dbraw/zinc/07/37/34/888073734.db2.gz SXAUWHCUGRKGQD-WPRPVWTQSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C(C)(C)S(C)(=O)=O ZINC001378816872 888074221 /nfs/dbraw/zinc/07/42/21/888074221.db2.gz IINSVAHTUMAGKP-MRVPVSSYSA-N 0 3 293.389 -1.269 20 0 CAADHN CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001378875013 888074476 /nfs/dbraw/zinc/07/44/76/888074476.db2.gz VWCSJEDBCHHLTJ-MGCOHNPYSA-N 0 3 294.359 -1.032 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H](C)NC(N)=O)C(C)C ZINC001378965528 888074735 /nfs/dbraw/zinc/07/47/35/888074735.db2.gz QSSKFTYIARGXGR-DTWKUNHWSA-N 0 3 287.364 -1.480 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001378848264 888075022 /nfs/dbraw/zinc/07/50/22/888075022.db2.gz XAUWZFBUJYZRJM-DTWKUNHWSA-N 0 3 295.343 -1.296 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ncccn1 ZINC001378842468 888075206 /nfs/dbraw/zinc/07/52/06/888075206.db2.gz PEIUTROAKISLPC-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001378838772 888075324 /nfs/dbraw/zinc/07/53/24/888075324.db2.gz ATLDSQXVRHXQHW-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001378848260 888075548 /nfs/dbraw/zinc/07/55/48/888075548.db2.gz XAUWZFBUJYZRJM-BDAKNGLRSA-N 0 3 295.343 -1.296 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)Cn1cnnn1)C(C)C ZINC001378937993 888075627 /nfs/dbraw/zinc/07/56/27/888075627.db2.gz BQFZKNWFXRMAPI-SECBINFHSA-N 0 3 283.336 -1.851 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CNC(=O)NC)C(C)C ZINC001378962054 888075655 /nfs/dbraw/zinc/07/56/55/888075655.db2.gz MZYUKEGNECBINV-SECBINFHSA-N 0 3 287.364 -1.608 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCCS1(=O)=O ZINC001378858329 888076011 /nfs/dbraw/zinc/07/60/11/888076011.db2.gz UVNHXFDRQSSJGM-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001378852529 888076076 /nfs/dbraw/zinc/07/60/76/888076076.db2.gz MAVDRWGBOQOSFR-ZETCQYMHSA-N 0 3 281.316 -1.351 20 0 CAADHN CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@H](CNCC(N)=O)C1CC1 ZINC001379020478 888076576 /nfs/dbraw/zinc/07/65/76/888076576.db2.gz KQUPBQFPBZRNRQ-WDEREUQCSA-N 0 3 296.371 -1.223 20 0 CAADHN CN(C(=O)[C@@H]1CCC(=O)N1)[C@@H](CNCC(N)=O)C1CC1 ZINC001379057379 888077344 /nfs/dbraw/zinc/07/73/44/888077344.db2.gz MOCJFWRYEYZCQD-UWVGGRQHSA-N 0 3 282.344 -1.423 20 0 CAADHN CN(C(=O)[C@@H]1CCNC(=O)C1)[C@@H](CNCC(N)=O)C1CC1 ZINC001379000137 888077513 /nfs/dbraw/zinc/07/75/13/888077513.db2.gz RZBGGTMCBOWQBK-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN CN(C(=O)Cn1cncn1)[C@@H](CNCC(N)=O)C1CC1 ZINC001379051881 888077649 /nfs/dbraw/zinc/07/76/49/888077649.db2.gz CJSNBLKZMLOXCN-JTQLQIEISA-N 0 3 280.332 -1.410 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)Cn1cnnn1 ZINC001378981261 888077870 /nfs/dbraw/zinc/07/78/70/888077870.db2.gz MHYNUTMIHPTULF-JTQLQIEISA-N 0 3 295.347 -1.754 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)Cn1cnnn1 ZINC001379011380 888078055 /nfs/dbraw/zinc/07/80/55/888078055.db2.gz MIWOBXOBHLUJPG-JTQLQIEISA-N 0 3 286.336 -1.929 20 0 CAADHN CN(C(=O)[C@@H]1CNC(=O)N1)[C@@H](CNCC(N)=O)C1CC1 ZINC001379027819 888078108 /nfs/dbraw/zinc/07/81/08/888078108.db2.gz UCQWNVBWDCTPTH-IUCAKERBSA-N 0 3 283.332 -2.020 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H](C)NC(C)=O ZINC001379005971 888078541 /nfs/dbraw/zinc/07/85/41/888078541.db2.gz GQAOECSYNYLNIG-JQWIXIFHSA-N 0 3 289.376 -1.092 20 0 CAADHN CN(C(=O)[C@@H]1CNC(=O)N1)[C@H](CNCC(N)=O)C1CC1 ZINC001379027813 888078623 /nfs/dbraw/zinc/07/86/23/888078623.db2.gz UCQWNVBWDCTPTH-DTWKUNHWSA-N 0 3 283.332 -2.020 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001379005986 888078669 /nfs/dbraw/zinc/07/86/69/888078669.db2.gz GQAOECSYNYLNIG-ZYHUDNBSSA-N 0 3 289.376 -1.092 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001378989663 888078982 /nfs/dbraw/zinc/07/89/82/888078982.db2.gz KMEKVMJQEAWUQK-ZJUUUORDSA-N 0 3 299.375 -1.466 20 0 CAADHN C[C@@H](NC[C@@H](C1CC1)N(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001379032622 888079401 /nfs/dbraw/zinc/07/94/01/888079401.db2.gz QRFUGFNTDMRIBY-APPZFPTMSA-N 0 3 295.347 -1.476 20 0 CAADHN CCCNC(=O)CN[C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001379060555 888079592 /nfs/dbraw/zinc/07/95/92/888079592.db2.gz UZXUWBWIQKUWBK-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CN(C(=O)CNC(=O)C1CC1)[C@@H](CNCC(N)=O)C1CC1 ZINC001378984939 888079711 /nfs/dbraw/zinc/07/97/11/888079711.db2.gz ASWBQDVKRWZIBE-NSHDSACASA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)Cn1ncnn1 ZINC001379014703 888079838 /nfs/dbraw/zinc/07/98/38/888079838.db2.gz NWRUTKABNIQFSC-SNVBAGLBSA-N 0 3 295.347 -1.754 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001379005980 888080169 /nfs/dbraw/zinc/08/01/69/888080169.db2.gz GQAOECSYNYLNIG-PWSUYJOCSA-N 0 3 289.376 -1.092 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)COC ZINC001379053544 888080422 /nfs/dbraw/zinc/08/04/22/888080422.db2.gz FGMIXTUAXNLRFM-MRVPVSSYSA-N 0 3 274.321 -1.475 20 0 CAADHN CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@@H](CNCC(N)=O)C1CC1 ZINC001379020476 888081090 /nfs/dbraw/zinc/08/10/90/888081090.db2.gz KQUPBQFPBZRNRQ-MNOVXSKESA-N 0 3 296.371 -1.223 20 0 CAADHN CN(C(=O)[C@H]1CC(=O)N(C)C1)[C@@H](CNCC(N)=O)C1CC1 ZINC001379020477 888081364 /nfs/dbraw/zinc/08/13/64/888081364.db2.gz KQUPBQFPBZRNRQ-QWRGUYRKSA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)Cn1ncnn1 ZINC001379014699 888081579 /nfs/dbraw/zinc/08/15/79/888081579.db2.gz NWRUTKABNIQFSC-JTQLQIEISA-N 0 3 295.347 -1.754 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H](C)OC ZINC001379080516 888082025 /nfs/dbraw/zinc/08/20/25/888082025.db2.gz LGCXSQWHSJHVSF-DTWKUNHWSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1cnnn1C ZINC001379104030 888082144 /nfs/dbraw/zinc/08/21/44/888082144.db2.gz DRHZWQFPNOLMFV-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O)[nH]1 ZINC001379125095 888082838 /nfs/dbraw/zinc/08/28/38/888082838.db2.gz YPYWRCQFUOGGPQ-YUMQZZPRSA-N 0 3 282.348 -1.034 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](C)NCC(N)=O)c(=O)[nH]c1C ZINC001379137827 888082870 /nfs/dbraw/zinc/08/28/70/888082870.db2.gz KBELWWTUULWPFZ-ZETCQYMHSA-N 0 3 295.343 -1.078 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CCn1ccnn1)C(N)=O ZINC001379103653 888083596 /nfs/dbraw/zinc/08/35/96/888083596.db2.gz WKJZFDWPGKPRRI-VHSXEESVSA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)c1cc[nH]n1 ZINC001379067145 888083801 /nfs/dbraw/zinc/08/38/01/888083801.db2.gz RMBJQOJMJRMWKJ-MRVPVSSYSA-N 0 3 296.331 -1.085 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)N[C@H]1CCCNC1=O ZINC001379065711 888083959 /nfs/dbraw/zinc/08/39/59/888083959.db2.gz OMGTYEYNLUKOEM-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)c1cc[nH]n1 ZINC001379067146 888083998 /nfs/dbraw/zinc/08/39/98/888083998.db2.gz RMBJQOJMJRMWKJ-QMMMGPOBSA-N 0 3 296.331 -1.085 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1ncn(C)n1 ZINC001379122081 888084026 /nfs/dbraw/zinc/08/40/26/888084026.db2.gz ZJEZSTYZNREXRA-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN Cc1nn(CC(=O)N(C)CCN(C)CCCO)c(=O)n1C ZINC001379124650 888084449 /nfs/dbraw/zinc/08/44/49/888084449.db2.gz QEMCTBDXARVAQL-UHFFFAOYSA-N 0 3 299.375 -1.337 20 0 CAADHN C[C@H](CN(C)C(=O)CN(C)S(C)(=O)=O)NCC(N)=O ZINC001379137600 888084474 /nfs/dbraw/zinc/08/44/74/888084474.db2.gz QITNGZWZYPQMHQ-MRVPVSSYSA-N 0 3 294.377 -2.200 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O)c[nH]1 ZINC001379106482 888084516 /nfs/dbraw/zinc/08/45/16/888084516.db2.gz PWGPBXCWEAVMSJ-ZETCQYMHSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncnn1)NCC(=O)N(C)C ZINC001379133071 888085798 /nfs/dbraw/zinc/08/57/98/888085798.db2.gz RUSIFWJAYNMPQC-SECBINFHSA-N 0 3 283.336 -1.802 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1ccnn1)N[C@H](C)C(N)=O ZINC001379103651 888085828 /nfs/dbraw/zinc/08/58/28/888085828.db2.gz WKJZFDWPGKPRRI-NXEZZACHSA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001379119183 888085926 /nfs/dbraw/zinc/08/59/26/888085926.db2.gz KHMQMKRNNQMMJH-MRVPVSSYSA-N 0 3 282.348 -1.162 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001379104851 888086203 /nfs/dbraw/zinc/08/62/03/888086203.db2.gz NARRHLNQEXGLBT-VHSXEESVSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccncc1 ZINC001379159663 888087460 /nfs/dbraw/zinc/08/74/60/888087460.db2.gz ZKOFAWYGBWSXPD-MWLCHTKSSA-N 0 3 280.328 -1.104 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2COCCO2)n[nH]1 ZINC001379162725 888088287 /nfs/dbraw/zinc/08/82/87/888088287.db2.gz FIXGXIBZNWNVPK-VHSXEESVSA-N 0 3 299.331 -1.905 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001379161264 888088598 /nfs/dbraw/zinc/08/85/98/888088598.db2.gz ANRBWUYCBVXCMK-VHSXEESVSA-N 0 3 281.316 -1.679 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)Cn2cnnn2)C1=O ZINC001379160775 888088702 /nfs/dbraw/zinc/08/87/02/888088702.db2.gz ITKLEKKZESKMIM-RKDXNWHRSA-N 0 3 297.319 -3.030 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnsn1)N1CCC1 ZINC001379161525 888088801 /nfs/dbraw/zinc/08/88/01/888088801.db2.gz BFEDQMQFHIRDKN-MRVPVSSYSA-N 0 3 299.356 -1.549 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2cn[nH]c2)C1=O ZINC001379161269 888088998 /nfs/dbraw/zinc/08/89/98/888088998.db2.gz ANRBWUYCBVXCMK-ZJUUUORDSA-N 0 3 281.316 -1.679 20 0 CAADHN CC(=O)NC[C@@H](O)CNCc1cc(=O)n(C)c(=O)n1C ZINC001379158081 888089032 /nfs/dbraw/zinc/08/90/32/888089032.db2.gz HDPPMGILWBUSRU-JTQLQIEISA-N 0 3 284.316 -2.329 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1CCOCC1)C(N)=O ZINC001379151266 888089602 /nfs/dbraw/zinc/08/96/02/888089602.db2.gz BCLYYAORMDWWMW-SCZZXKLOSA-N 0 3 273.333 -1.647 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnsn1)N1CCC1 ZINC001379161528 888089676 /nfs/dbraw/zinc/08/96/76/888089676.db2.gz BFEDQMQFHIRDKN-QMMMGPOBSA-N 0 3 299.356 -1.549 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)[C@@H]2COCCO2)n[nH]1 ZINC001379162719 888090033 /nfs/dbraw/zinc/09/00/33/888090033.db2.gz FIXGXIBZNWNVPK-UWVGGRQHSA-N 0 3 299.331 -1.905 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@H]1CCCN(C)C1=O ZINC001379164270 888090161 /nfs/dbraw/zinc/09/01/61/888090161.db2.gz NODPBKIBPNRURP-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCN(C)C[C@H](C)O ZINC001379145796 888090930 /nfs/dbraw/zinc/09/09/30/888090930.db2.gz JFNLXBBTZDCNOA-VHSXEESVSA-N 0 3 295.405 -1.305 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001379169745 888091514 /nfs/dbraw/zinc/09/15/14/888091514.db2.gz LFBVHYLFCASZJI-MRVPVSSYSA-N 0 3 295.361 -2.814 20 0 CAADHN Cn1cccc1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001379169642 888091897 /nfs/dbraw/zinc/09/18/97/888091897.db2.gz UIWFIUSGUHNGIP-NSHDSACASA-N 0 3 294.355 -1.062 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cscn1 ZINC001379165148 888091935 /nfs/dbraw/zinc/09/19/35/888091935.db2.gz IHXADKLVFJUAGU-MRVPVSSYSA-N 0 3 286.357 -1.041 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001379167244 888092274 /nfs/dbraw/zinc/09/22/74/888092274.db2.gz HOBALBFNMLLQHC-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnccn1)C(N)=O ZINC001379165816 888093168 /nfs/dbraw/zinc/09/31/68/888093168.db2.gz DNPPSGKJUJAXHI-IUCAKERBSA-N 0 3 281.316 -1.579 20 0 CAADHN Cc1ncsc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001379164719 888093761 /nfs/dbraw/zinc/09/37/61/888093761.db2.gz FACVFZJUBAVFDE-ZETCQYMHSA-N 0 3 272.330 -1.383 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CC[C@H]1CCCO1 ZINC001379164879 888094009 /nfs/dbraw/zinc/09/40/09/888094009.db2.gz ICXWCRZWTGUQIE-GHMZBOCLSA-N 0 3 287.360 -1.242 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)CC(C)C ZINC001379172594 888094221 /nfs/dbraw/zinc/09/42/21/888094221.db2.gz KPDOINJITDGEIG-SECBINFHSA-N 0 3 288.348 -1.445 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001379166063 888094415 /nfs/dbraw/zinc/09/44/15/888094415.db2.gz JVAASPCTPNFQEB-NSHDSACASA-N 0 3 297.359 -1.883 20 0 CAADHN Cc1cnc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)cn1 ZINC001379173112 888095449 /nfs/dbraw/zinc/09/54/49/888095449.db2.gz LXEZFRJXKFGAJX-NXEZZACHSA-N 0 3 293.327 -1.646 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@@H]1CCCN(C)C1=O ZINC001379164322 888095574 /nfs/dbraw/zinc/09/55/74/888095574.db2.gz NODPBKIBPNRURP-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN Cn1cccc1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001379169638 888095602 /nfs/dbraw/zinc/09/56/02/888095602.db2.gz UIWFIUSGUHNGIP-LLVKDONJSA-N 0 3 294.355 -1.062 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)N(C)C)[nH]1 ZINC001379189266 888096296 /nfs/dbraw/zinc/09/62/96/888096296.db2.gz NVXLPLNWCIYUOO-WPRPVWTQSA-N 0 3 297.359 -1.125 20 0 CAADHN CS[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001379180125 888096817 /nfs/dbraw/zinc/09/68/17/888096817.db2.gz YPKRGWOFEZEQMQ-IUCAKERBSA-N 0 3 277.390 -1.107 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H](C)OC ZINC001379338839 888125454 /nfs/dbraw/zinc/12/54/54/888125454.db2.gz NTWMXGXSIUENQB-SFYZADRCSA-N 0 3 274.321 -1.429 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CNCC(N)=O ZINC001379363347 888131887 /nfs/dbraw/zinc/13/18/87/888131887.db2.gz PAZXMJCLISOIHF-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CN[C@@H]1CCN(CC)C1=O ZINC001379180647 888097328 /nfs/dbraw/zinc/09/73/28/888097328.db2.gz TZMUBNBJHUKWCJ-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CS[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001379180119 888097483 /nfs/dbraw/zinc/09/74/83/888097483.db2.gz YPKRGWOFEZEQMQ-DTWKUNHWSA-N 0 3 277.390 -1.107 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnccn1 ZINC001379184336 888097691 /nfs/dbraw/zinc/09/76/91/888097691.db2.gz ZVUCAEWCWUVOHA-VIFPVBQESA-N 0 3 281.316 -1.707 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001379191314 888097996 /nfs/dbraw/zinc/09/79/96/888097996.db2.gz RPPWJYWYUVLIKQ-SECBINFHSA-N 0 3 288.348 -2.333 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)[nH]n1 ZINC001379181250 888098419 /nfs/dbraw/zinc/09/84/19/888098419.db2.gz ZSPQQFXFDYVQSL-BDAKNGLRSA-N 0 3 281.316 -1.713 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ocnc1C ZINC001379184409 888099168 /nfs/dbraw/zinc/09/91/68/888099168.db2.gz RQLOASHXXKGCOS-MRVPVSSYSA-N 0 3 270.289 -1.591 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnccn1 ZINC001379184335 888099314 /nfs/dbraw/zinc/09/93/14/888099314.db2.gz ZVUCAEWCWUVOHA-SECBINFHSA-N 0 3 281.316 -1.707 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001379181247 888099422 /nfs/dbraw/zinc/09/94/22/888099422.db2.gz ZQHZSJXKJIWWBY-RNFRBKRXSA-N 0 3 281.334 -3.029 20 0 CAADHN CS[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001379180115 888099573 /nfs/dbraw/zinc/09/95/73/888099573.db2.gz YPKRGWOFEZEQMQ-BDAKNGLRSA-N 0 3 277.390 -1.107 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CS(C)(=O)=O)C(N)=O ZINC001379181249 888099667 /nfs/dbraw/zinc/09/96/67/888099667.db2.gz ZQHZSJXKJIWWBY-RQJHMYQMSA-N 0 3 281.334 -3.029 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001379183972 888099908 /nfs/dbraw/zinc/09/99/08/888099908.db2.gz IPFFHOYERABBKZ-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001379185058 888100099 /nfs/dbraw/zinc/10/00/99/888100099.db2.gz JQQFOTZGZNRYRK-SFYZADRCSA-N 0 3 274.321 -2.547 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@@H](C)C(=O)N(C)C)[nH]1 ZINC001379189265 888100211 /nfs/dbraw/zinc/10/02/11/888100211.db2.gz NVXLPLNWCIYUOO-WCBMZHEXSA-N 0 3 297.359 -1.125 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001379194066 888102164 /nfs/dbraw/zinc/10/21/64/888102164.db2.gz DBEYROZIUKVGSX-RKDXNWHRSA-N 0 3 285.348 -1.808 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001379196936 888101535 /nfs/dbraw/zinc/10/15/35/888101535.db2.gz IIRXZZHFSSEMIC-JGVFFNPUSA-N 0 3 282.304 -2.616 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1 ZINC001379196941 888101628 /nfs/dbraw/zinc/10/16/28/888101628.db2.gz IIRXZZHFSSEMIC-YUMQZZPRSA-N 0 3 282.304 -2.616 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001379194058 888101703 /nfs/dbraw/zinc/10/17/03/888101703.db2.gz DBEYROZIUKVGSX-DTWKUNHWSA-N 0 3 285.348 -1.808 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)n1 ZINC001379198571 888101799 /nfs/dbraw/zinc/10/17/99/888101799.db2.gz NPCOZLDLTLGRIW-VIFPVBQESA-N 0 3 296.331 -2.226 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cncnc1 ZINC001379199273 888101909 /nfs/dbraw/zinc/10/19/09/888101909.db2.gz SXUQVUWMXYEEOX-ZJUUUORDSA-N 0 3 279.300 -1.955 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1cc(C)on1)C(N)=O ZINC001379193500 888101924 /nfs/dbraw/zinc/10/19/24/888101924.db2.gz ZTMYUHWIHDGVPQ-WDEREUQCSA-N 0 3 298.343 -1.144 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1 ZINC001379196938 888101939 /nfs/dbraw/zinc/10/19/39/888101939.db2.gz IIRXZZHFSSEMIC-SFYZADRCSA-N 0 3 282.304 -2.616 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)cnn1 ZINC001379202388 888102070 /nfs/dbraw/zinc/10/20/70/888102070.db2.gz RMLWHWFSMZIGOG-GHMZBOCLSA-N 0 3 293.327 -1.646 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnn(CC)n1 ZINC001379196097 888102099 /nfs/dbraw/zinc/10/20/99/888102099.db2.gz FOZHWKJOEPXDJL-VIFPVBQESA-N 0 3 298.347 -1.886 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)cnn1 ZINC001379202390 888102173 /nfs/dbraw/zinc/10/21/73/888102173.db2.gz RMLWHWFSMZIGOG-QWRGUYRKSA-N 0 3 293.327 -1.646 20 0 CAADHN CCc1nc(C(=O)NC[C@H](O)CNCC(N)=O)co1 ZINC001379192903 888102252 /nfs/dbraw/zinc/10/22/52/888102252.db2.gz FROOISOWLKJLBQ-SSDOTTSWSA-N 0 3 270.289 -1.597 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001379201246 888102292 /nfs/dbraw/zinc/10/22/92/888102292.db2.gz MQBYOQUAJGQQKP-JGVFFNPUSA-N 0 3 289.336 -2.802 20 0 CAADHN CCn1nccc1C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC ZINC001379201349 888102307 /nfs/dbraw/zinc/10/23/07/888102307.db2.gz NPNFFCICJOAKBX-UWVGGRQHSA-N 0 3 297.359 -1.282 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1nccn1CC)C(N)=O ZINC001379199589 888102329 /nfs/dbraw/zinc/10/23/29/888102329.db2.gz IMEUQETXYLEXPJ-VHSXEESVSA-N 0 3 297.359 -1.153 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)N[C@H](C)C(N)=O ZINC001379194880 888103375 /nfs/dbraw/zinc/10/33/75/888103375.db2.gz GRDJGSMJBSJZHT-NXEZZACHSA-N 0 3 299.375 -2.272 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccnn1CC ZINC001379201879 888102688 /nfs/dbraw/zinc/10/26/88/888102688.db2.gz PVXJMUUVTDHIJZ-SNVBAGLBSA-N 0 3 297.359 -1.281 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(CC)n1 ZINC001379196096 888102781 /nfs/dbraw/zinc/10/27/81/888102781.db2.gz FOZHWKJOEPXDJL-SECBINFHSA-N 0 3 298.347 -1.886 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001379197664 888103087 /nfs/dbraw/zinc/10/30/87/888103087.db2.gz OAWKUPQYIHCBTG-WDEREUQCSA-N 0 3 299.371 -1.363 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)cnn1 ZINC001379202389 888103156 /nfs/dbraw/zinc/10/31/56/888103156.db2.gz RMLWHWFSMZIGOG-MNOVXSKESA-N 0 3 293.327 -1.646 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(F)cn1 ZINC001379195889 888103198 /nfs/dbraw/zinc/10/31/98/888103198.db2.gz LJGFLECGQLIOBH-VIFPVBQESA-N 0 3 284.291 -1.353 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001379196286 888103436 /nfs/dbraw/zinc/10/34/36/888103436.db2.gz KYSJLOYDRRGFBP-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001379205466 888104332 /nfs/dbraw/zinc/10/43/32/888104332.db2.gz LKKNWMISWCXEQO-JGVFFNPUSA-N 0 3 279.287 -1.026 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001379215577 888104508 /nfs/dbraw/zinc/10/45/08/888104508.db2.gz GPEHNOVNFFBJRV-DTWKUNHWSA-N 0 3 295.343 -1.046 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CNCC(N)=O)CCCC1 ZINC001379204307 888104901 /nfs/dbraw/zinc/10/49/01/888104901.db2.gz DQFSZXVFBPVPJK-SNVBAGLBSA-N 0 3 287.360 -1.255 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](O)CNCc1cncn1C ZINC001379214076 888104975 /nfs/dbraw/zinc/10/49/75/888104975.db2.gz XDXLCXGDKFEVAQ-SNVBAGLBSA-N 0 3 298.347 -2.084 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](O)CNCc1ccccn1 ZINC001379203239 888105127 /nfs/dbraw/zinc/10/51/27/888105127.db2.gz BXXSENMGXOAZLE-LLVKDONJSA-N 0 3 295.343 -1.423 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCCC(=O)N1 ZINC001379217913 888105328 /nfs/dbraw/zinc/10/53/28/888105328.db2.gz IICRMMKYUHCIIO-IUCAKERBSA-N 0 3 286.332 -2.403 20 0 CAADHN Cc1nnccc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001379210887 888105759 /nfs/dbraw/zinc/10/57/59/888105759.db2.gz AOSQRZUXBRNPAC-IUCAKERBSA-N 0 3 281.316 -1.661 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1c(C)ncn1C ZINC001379207016 888105822 /nfs/dbraw/zinc/10/58/22/888105822.db2.gz QNDUIDXHCMVXNU-SNVBAGLBSA-N 0 3 297.359 -1.455 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CNCC(N)=O)c(C2CC2)n1 ZINC001379214083 888106008 /nfs/dbraw/zinc/10/60/08/888106008.db2.gz XFYXJLSNDUFZBV-SECBINFHSA-N 0 3 295.343 -1.537 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)Cn2ncnn2)cn1 ZINC001379209884 888106040 /nfs/dbraw/zinc/10/60/40/888106040.db2.gz OAGQAUYFFLBBGZ-JTQLQIEISA-N 0 3 294.319 -2.327 20 0 CAADHN Cn1nc(C2CC2)cc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001379204970 888106111 /nfs/dbraw/zinc/10/61/11/888106111.db2.gz GHJOYJVSRQWGRH-VIFPVBQESA-N 0 3 295.343 -1.537 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1c[nH]nc1C ZINC001379217955 888106153 /nfs/dbraw/zinc/10/61/53/888106153.db2.gz JPWXNISQJWQHEH-BDAKNGLRSA-N 0 3 283.332 -1.467 20 0 CAADHN Cn1ccc(CNC[C@@H](O)CNC(=O)c2cn[nH]n2)n1 ZINC001379208884 888106162 /nfs/dbraw/zinc/10/61/62/888106162.db2.gz RLVFECRUMRZIPT-SECBINFHSA-N 0 3 279.304 -1.581 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC(F)(F)C1 ZINC001379205468 888106215 /nfs/dbraw/zinc/10/62/15/888106215.db2.gz LKKNWMISWCXEQO-YUMQZZPRSA-N 0 3 279.287 -1.026 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](O)CNCC(N)=O)CCNC(=O)C1 ZINC001379229709 888107338 /nfs/dbraw/zinc/10/73/38/888107338.db2.gz QRARKZXXARJDCZ-UFBFGSQYSA-N 0 3 286.332 -2.545 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1csnn1)C(N)=O ZINC001379222808 888107428 /nfs/dbraw/zinc/10/74/28/888107428.db2.gz BMWBVELNCWHSRN-RNFRBKRXSA-N 0 3 287.345 -1.518 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001379230222 888107578 /nfs/dbraw/zinc/10/75/78/888107578.db2.gz SXLJFTKQJVLNQZ-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001379229430 888107589 /nfs/dbraw/zinc/10/75/89/888107589.db2.gz XTKVRVJGTRRLBC-SCZZXKLOSA-N 0 3 296.327 -1.356 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001379229811 888107791 /nfs/dbraw/zinc/10/77/91/888107791.db2.gz RXXMRQNIHGDEFG-SFYZADRCSA-N 0 3 271.321 -2.150 20 0 CAADHN Cc1cc(C)n(CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001379232571 888107813 /nfs/dbraw/zinc/10/78/13/888107813.db2.gz WTXMFGNGYGMAQP-GHMZBOCLSA-N 0 3 297.359 -1.560 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)nn1C ZINC001379233955 888108042 /nfs/dbraw/zinc/10/80/42/888108042.db2.gz ZKYVXVSFGXJIPC-JGVFFNPUSA-N 0 3 299.331 -2.017 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)n1C ZINC001379235723 888108077 /nfs/dbraw/zinc/10/80/77/888108077.db2.gz VJIITYFYHGHNGP-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001379227944 888108169 /nfs/dbraw/zinc/10/81/69/888108169.db2.gz MRGKOEIURYFLLS-RNJXMRFFSA-N 0 3 272.305 -2.096 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)nn1C ZINC001379233972 888108363 /nfs/dbraw/zinc/10/83/63/888108363.db2.gz ZKYVXVSFGXJIPC-YUMQZZPRSA-N 0 3 299.331 -2.017 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1csnn1)C(N)=O ZINC001379222781 888108383 /nfs/dbraw/zinc/10/83/83/888108383.db2.gz BMWBVELNCWHSRN-BQBZGAKWSA-N 0 3 287.345 -1.518 20 0 CAADHN Cc1cc(C)n(CCC(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001379228408 888108440 /nfs/dbraw/zinc/10/84/40/888108440.db2.gz YGTDCPVRHBYUOR-NSHDSACASA-N 0 3 297.359 -1.558 20 0 CAADHN C[C@]1(C(=O)NC[C@H](O)CNCC(N)=O)CCNC(=O)C1 ZINC001379229659 888108711 /nfs/dbraw/zinc/10/87/11/888108711.db2.gz QRARKZXXARJDCZ-PELKAZGASA-N 0 3 286.332 -2.545 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)nn1C ZINC001379233962 888108568 /nfs/dbraw/zinc/10/85/68/888108568.db2.gz ZKYVXVSFGXJIPC-SFYZADRCSA-N 0 3 299.331 -2.017 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1csnn1)C(N)=O ZINC001379222801 888108828 /nfs/dbraw/zinc/10/88/28/888108828.db2.gz BMWBVELNCWHSRN-NKWVEPMBSA-N 0 3 287.345 -1.518 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1csnn1 ZINC001379224445 888108882 /nfs/dbraw/zinc/10/88/82/888108882.db2.gz BZOUZYOYDLERGM-RNFRBKRXSA-N 0 3 287.345 -1.647 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)CC1 ZINC001379224775 888109276 /nfs/dbraw/zinc/10/92/76/888109276.db2.gz OHVYYNAEBLUVRL-GHMZBOCLSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1ccc(F)cn1)C(N)=O ZINC001379221163 888109286 /nfs/dbraw/zinc/10/92/86/888109286.db2.gz JQJUYHSASNACFH-KWQFWETISA-N 0 3 298.318 -1.296 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)nn1C ZINC001379233920 888109295 /nfs/dbraw/zinc/10/92/95/888109295.db2.gz ZKYVXVSFGXJIPC-HTQZYQBOSA-N 0 3 299.331 -2.017 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1ccc(F)cn1)C(N)=O ZINC001379221155 888109330 /nfs/dbraw/zinc/10/93/30/888109330.db2.gz JQJUYHSASNACFH-GZMMTYOYSA-N 0 3 298.318 -1.296 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1cnn(C)n1)C(N)=O ZINC001379238673 888110205 /nfs/dbraw/zinc/11/02/05/888110205.db2.gz FFPPAIJPSSTIJL-WPRPVWTQSA-N 0 3 298.347 -2.312 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)CNCc1cccnc1 ZINC001379247042 888110280 /nfs/dbraw/zinc/11/02/80/888110280.db2.gz VEEWAJLCFCLOEO-UTUOFQBUSA-N 0 3 292.339 -1.230 20 0 CAADHN CCc1ncoc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001379237462 888110913 /nfs/dbraw/zinc/11/09/13/888110913.db2.gz BYIQLFAZJUPKJU-SSDOTTSWSA-N 0 3 270.289 -1.597 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1[nH]c(C)nc1C)C(N)=O ZINC001379249072 888111137 /nfs/dbraw/zinc/11/11/37/888111137.db2.gz QJDKLCJVXPNKOK-UWVGGRQHSA-N 0 3 297.359 -1.029 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnn(C)n1)C(=O)N(C)C ZINC001379250898 888111388 /nfs/dbraw/zinc/11/13/88/888111388.db2.gz KBEDWANRAKOCGX-RKDXNWHRSA-N 0 3 298.347 -2.028 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)CNCc1cccnc1 ZINC001379247039 888111397 /nfs/dbraw/zinc/11/13/97/888111397.db2.gz VEEWAJLCFCLOEO-TUAOUCFPSA-N 0 3 292.339 -1.230 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)[nH]1 ZINC001379250240 888111406 /nfs/dbraw/zinc/11/14/06/888111406.db2.gz SJEYDCQNSJRZAN-NXEZZACHSA-N 0 3 295.343 -1.405 20 0 CAADHN CCc1ncoc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001379237471 888111445 /nfs/dbraw/zinc/11/14/45/888111445.db2.gz BYIQLFAZJUPKJU-ZETCQYMHSA-N 0 3 270.289 -1.597 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1cnn(C)n1)C(N)=O ZINC001379238664 888111475 /nfs/dbraw/zinc/11/14/75/888111475.db2.gz FFPPAIJPSSTIJL-SCZZXKLOSA-N 0 3 298.347 -2.312 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCS(C)(=O)=O)C(N)=O ZINC001379236869 888111604 /nfs/dbraw/zinc/11/16/04/888111604.db2.gz XXADHGDDIJFLNJ-YUMQZZPRSA-N 0 3 295.361 -2.638 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CNCC(=O)NC)c(C)n1 ZINC001379249644 888111652 /nfs/dbraw/zinc/11/16/52/888111652.db2.gz TZPIBYKOCKXTHN-SNVBAGLBSA-N 0 3 297.359 -1.362 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1cnn(C)n1)C(N)=O ZINC001379238659 888111693 /nfs/dbraw/zinc/11/16/93/888111693.db2.gz FFPPAIJPSSTIJL-PSASIEDQSA-N 0 3 298.347 -2.312 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)[nH]1 ZINC001379250244 888111719 /nfs/dbraw/zinc/11/17/19/888111719.db2.gz SJEYDCQNSJRZAN-UWVGGRQHSA-N 0 3 295.343 -1.405 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)n1 ZINC001379251945 888112071 /nfs/dbraw/zinc/11/20/71/888112071.db2.gz LERMQYLRXWCYRS-IUCAKERBSA-N 0 3 296.331 -2.274 20 0 CAADHN O=C(NC[C@H](O)CNCc1ccccn1)[C@@H]1CNC(=O)N1 ZINC001379238193 888112096 /nfs/dbraw/zinc/11/20/96/888112096.db2.gz KHUTXOZMHMIGHK-MNOVXSKESA-N 0 3 293.327 -1.670 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)NC(C)=O ZINC001379260371 888113490 /nfs/dbraw/zinc/11/34/90/888113490.db2.gz NCYTXPFUECCVGN-SECBINFHSA-N 0 3 288.348 -2.286 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1cncn1C)C(N)=O ZINC001379262071 888113504 /nfs/dbraw/zinc/11/35/04/888113504.db2.gz WBOOQLOYKWHGCB-PSASIEDQSA-N 0 3 283.332 -2.097 20 0 CAADHN CCn1ccc(CNC[C@@H](O)CNC(=O)c2nnc[nH]2)n1 ZINC001379254852 888113673 /nfs/dbraw/zinc/11/36/73/888113673.db2.gz AXXMCPQEISGXHA-SNVBAGLBSA-N 0 3 293.331 -1.098 20 0 CAADHN CCn1ccc(CNC[C@@H](O)CNC(=O)c2ncn[nH]2)n1 ZINC001379254852 888113681 /nfs/dbraw/zinc/11/36/81/888113681.db2.gz AXXMCPQEISGXHA-SNVBAGLBSA-N 0 3 293.331 -1.098 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001379261958 888113784 /nfs/dbraw/zinc/11/37/84/888113784.db2.gz KAOPNOZHDRTGTK-RKDXNWHRSA-N 0 3 296.331 -2.308 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001379254916 888114205 /nfs/dbraw/zinc/11/42/05/888114205.db2.gz BDAPMKJNDBGGHY-SSDOTTSWSA-N 0 3 271.277 -2.114 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnn(C)n1)C(N)=O ZINC001379256068 888114519 /nfs/dbraw/zinc/11/45/19/888114519.db2.gz UBMJUPWCFCGXPQ-NKWVEPMBSA-N 0 3 270.293 -2.631 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c(C)o1 ZINC001379259987 888114690 /nfs/dbraw/zinc/11/46/90/888114690.db2.gz OVINONPOYNPQKD-RCOVLWMOSA-N 0 3 284.316 -1.154 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(Cl)no1 ZINC001379260068 888114734 /nfs/dbraw/zinc/11/47/34/888114734.db2.gz AGPIKFRZLSEPTJ-ZCFIWIBFSA-N 0 3 290.707 -1.246 20 0 CAADHN Cc1noc(C)c1[C@@H](C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001379257132 888114791 /nfs/dbraw/zinc/11/47/91/888114791.db2.gz VWMJVCOKGPTKDL-GMSGAONNSA-N 0 3 298.343 -1.053 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnn(C)n1)C(N)=O ZINC001379256071 888114831 /nfs/dbraw/zinc/11/48/31/888114831.db2.gz UBMJUPWCFCGXPQ-RQJHMYQMSA-N 0 3 270.293 -2.631 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ncccn1 ZINC001379257224 888115043 /nfs/dbraw/zinc/11/50/43/888115043.db2.gz GTOBLANNVZNVQI-BDAKNGLRSA-N 0 3 281.316 -1.709 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001379261952 888115058 /nfs/dbraw/zinc/11/50/58/888115058.db2.gz KAOPNOZHDRTGTK-IUCAKERBSA-N 0 3 296.331 -2.308 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1nccs1 ZINC001379255062 888115157 /nfs/dbraw/zinc/11/51/57/888115157.db2.gz GPROHYNQKZVGID-HTQZYQBOSA-N 0 3 284.341 -1.288 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CNCC(=O)NC(C)C)n1 ZINC001379259133 888115291 /nfs/dbraw/zinc/11/52/91/888115291.db2.gz YTNSJLSHSLYMQL-SNVBAGLBSA-N 0 3 297.359 -1.077 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnn(C)n1)C(N)=O ZINC001379258257 888115395 /nfs/dbraw/zinc/11/53/95/888115395.db2.gz WRXFABLUNQFGEQ-SFYZADRCSA-N 0 3 284.320 -2.241 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1ccco1 ZINC001379255721 888115585 /nfs/dbraw/zinc/11/55/85/888115585.db2.gz CYURYWYFMSLBMZ-JTQLQIEISA-N 0 3 283.328 -1.023 20 0 CAADHN Cc1noc(C)c1[C@H](C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001379257149 888115617 /nfs/dbraw/zinc/11/56/17/888115617.db2.gz VWMJVCOKGPTKDL-XVKPBYJWSA-N 0 3 298.343 -1.053 20 0 CAADHN Cn1cncc1CC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001379262511 888115656 /nfs/dbraw/zinc/11/56/56/888115656.db2.gz YREUKPHVDAFYHH-MNOVXSKESA-N 0 3 295.343 -2.082 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001379290078 888118022 /nfs/dbraw/zinc/11/80/22/888118022.db2.gz QNCQVYNBLDDYFJ-WPRPVWTQSA-N 0 3 283.332 -1.868 20 0 CAADHN Cc1n[nH]c(C)c1CCC(=O)NC[C@H](O)CNCC(N)=O ZINC001379276560 888117225 /nfs/dbraw/zinc/11/72/25/888117225.db2.gz LMSMASXUZHUNBP-SNVBAGLBSA-N 0 3 297.359 -1.489 20 0 CAADHN Cc1nccn1CC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001379283101 888117494 /nfs/dbraw/zinc/11/74/94/888117494.db2.gz GMKBOIKEFJYGPE-GHMZBOCLSA-N 0 3 295.343 -1.853 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc(C2CC2)no1 ZINC001379264545 888117518 /nfs/dbraw/zinc/11/75/18/888117518.db2.gz YHIHORSQNLDFJP-QMMMGPOBSA-N 0 3 282.300 -1.282 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cn1cncn1)C(N)=O ZINC001379282042 888117561 /nfs/dbraw/zinc/11/75/61/888117561.db2.gz YWZTYQXTKAXYKC-SFYZADRCSA-N 0 3 270.293 -2.781 20 0 CAADHN CCOc1cnc(C(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001379280152 888117728 /nfs/dbraw/zinc/11/77/28/888117728.db2.gz BFKTTYOYGLHYFN-MRVPVSSYSA-N 0 3 297.315 -1.959 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001379267726 888117751 /nfs/dbraw/zinc/11/77/51/888117751.db2.gz MJWQFLVKWZXRAH-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001379267716 888117776 /nfs/dbraw/zinc/11/77/76/888117776.db2.gz MJWQFLVKWZXRAH-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001379284851 888118258 /nfs/dbraw/zinc/11/82/58/888118258.db2.gz IQPWDYSNGAPDAC-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1nccs1 ZINC001379266031 888118405 /nfs/dbraw/zinc/11/84/05/888118405.db2.gz XSTGLGVPVQPOFR-MRVPVSSYSA-N 0 3 286.357 -1.041 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)COc1ccc(F)cc1 ZINC001379277931 888118876 /nfs/dbraw/zinc/11/88/76/888118876.db2.gz OZVVZXOVHODFJN-SNVBAGLBSA-N 0 3 299.302 -1.244 20 0 CAADHN Cc1nonc1CC(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001379269084 888118977 /nfs/dbraw/zinc/11/89/77/888118977.db2.gz NYXCIXLQYOBXIX-VIFPVBQESA-N 0 3 299.331 -1.925 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1nonc1C ZINC001379281417 888118993 /nfs/dbraw/zinc/11/89/93/888118993.db2.gz CNLKWJKBMCYBPU-SSDOTTSWSA-N 0 3 271.277 -2.196 20 0 CAADHN Cc1n[nH]c(C)c1CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001379272667 888119118 /nfs/dbraw/zinc/11/91/18/888119118.db2.gz GAWIOMFHCWMZNT-NXEZZACHSA-N 0 3 297.359 -1.490 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001379275694 888119180 /nfs/dbraw/zinc/11/91/80/888119180.db2.gz IFKQUVICADDEFO-JTQLQIEISA-N 0 3 296.327 -1.444 20 0 CAADHN Cc1n[nH]c(C)c1CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001379272689 888119261 /nfs/dbraw/zinc/11/92/61/888119261.db2.gz GAWIOMFHCWMZNT-VHSXEESVSA-N 0 3 297.359 -1.490 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1[nH]cnc1C ZINC001379287977 888119335 /nfs/dbraw/zinc/11/93/35/888119335.db2.gz MHUDDNDMHFKZTO-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN Cc1nonc1CC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001379269082 888119531 /nfs/dbraw/zinc/11/95/31/888119531.db2.gz NYXCIXLQYOBXIX-SECBINFHSA-N 0 3 299.331 -1.925 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc(C2CC2)no1 ZINC001379264542 888119604 /nfs/dbraw/zinc/11/96/04/888119604.db2.gz YHIHORSQNLDFJP-MRVPVSSYSA-N 0 3 282.300 -1.282 20 0 CAADHN CCN1CCO[C@@H](C(=O)N(C)C[C@H](C)NCC(N)=O)C1 ZINC001379326283 888121192 /nfs/dbraw/zinc/12/11/92/888121192.db2.gz UFIFWDIZFLYBJT-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NCC(N)=O ZINC001379315863 888121106 /nfs/dbraw/zinc/12/11/06/888121106.db2.gz RVJUWCAHACPNKG-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001379308404 888121118 /nfs/dbraw/zinc/12/11/18/888121118.db2.gz GXZILHPIKNIAPO-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN CCc1ncncc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001379295436 888121130 /nfs/dbraw/zinc/12/11/30/888121130.db2.gz YXHUQOUNRZQZNY-MRVPVSSYSA-N 0 3 281.316 -1.795 20 0 CAADHN Cn1nncc1CNC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001379290579 888121159 /nfs/dbraw/zinc/12/11/59/888121159.db2.gz KAWXKGLXFFVXEU-LLVKDONJSA-N 0 3 293.331 -1.722 20 0 CAADHN C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001379290970 888121245 /nfs/dbraw/zinc/12/12/45/888121245.db2.gz RMNZZQXYKXWUJH-PSASIEDQSA-N 0 3 283.332 -1.924 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CCn1ccnn1 ZINC001379296855 888121263 /nfs/dbraw/zinc/12/12/63/888121263.db2.gz LBBRAJHRPRJGLE-SNVBAGLBSA-N 0 3 282.348 -1.020 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)Cn1cnnn1 ZINC001379311803 888121283 /nfs/dbraw/zinc/12/12/83/888121283.db2.gz SDWIUDHNNXVPTF-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN CCN1CCO[C@@H](C(=O)N(C)C[C@@H](C)NCC(N)=O)C1 ZINC001379326280 888121428 /nfs/dbraw/zinc/12/14/28/888121428.db2.gz UFIFWDIZFLYBJT-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)c1nnn(C)n1)C(N)=O ZINC001379307072 888121488 /nfs/dbraw/zinc/12/14/88/888121488.db2.gz DLCWTFMXIIKSQH-MRVPVSSYSA-N 0 3 283.336 -1.474 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001379314312 888121542 /nfs/dbraw/zinc/12/15/42/888121542.db2.gz HGGSCHGYGVEGHS-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)c(=O)n1C ZINC001379290799 888121555 /nfs/dbraw/zinc/12/15/55/888121555.db2.gz KTBISSNHNCOKQA-MRVPVSSYSA-N 0 3 299.331 -2.850 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1COC(=O)N1 ZINC001379294737 888121637 /nfs/dbraw/zinc/12/16/37/888121637.db2.gz CSAXEWNJDCDBKP-YUMQZZPRSA-N 0 3 272.305 -1.593 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O ZINC001379318584 888121669 /nfs/dbraw/zinc/12/16/69/888121669.db2.gz DZUVIZVTYVDASI-BDAKNGLRSA-N 0 3 293.389 -1.269 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001379290973 888121926 /nfs/dbraw/zinc/12/19/26/888121926.db2.gz RMNZZQXYKXWUJH-SCZZXKLOSA-N 0 3 283.332 -1.924 20 0 CAADHN C[C@H](CN(C)C(=O)CS(=O)(=O)N(C)C)NCC(N)=O ZINC001379306689 888122010 /nfs/dbraw/zinc/12/20/10/888122010.db2.gz ANCHXFZOEIWRFF-MRVPVSSYSA-N 0 3 294.377 -2.200 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cnccn1 ZINC001379327400 888122577 /nfs/dbraw/zinc/12/25/77/888122577.db2.gz BHUDAYBGJABCQI-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCn1cc(C)cn1 ZINC001379298342 888122739 /nfs/dbraw/zinc/12/27/39/888122739.db2.gz VZBMTGKSQZADLC-NSHDSACASA-N 0 3 297.359 -1.606 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1cnccn1 ZINC001379327396 888122842 /nfs/dbraw/zinc/12/28/42/888122842.db2.gz BHUDAYBGJABCQI-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CS(C)(=O)=O ZINC001379304607 888122884 /nfs/dbraw/zinc/12/28/84/888122884.db2.gz GCKSDYZGJYVCAJ-QMMMGPOBSA-N 0 3 279.362 -1.657 20 0 CAADHN CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)CNC(N)=O)C1 ZINC001379309266 888122926 /nfs/dbraw/zinc/12/29/26/888122926.db2.gz DNXBQFWMAPMDKV-JTQLQIEISA-N 0 3 297.359 -1.582 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)Cn1cnnn1 ZINC001379311808 888122961 /nfs/dbraw/zinc/12/29/61/888122961.db2.gz SDWIUDHNNXVPTF-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CN(C)C(C)=O ZINC001379313158 888123022 /nfs/dbraw/zinc/12/30/22/888123022.db2.gz SUNTWSKFJBEZCE-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CCO[C@H](C)C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001379342439 888124136 /nfs/dbraw/zinc/12/41/36/888124136.db2.gz SHFYLYPDXPWTNT-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN CCO[C@@H](C)C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001379342442 888123922 /nfs/dbraw/zinc/12/39/22/888123922.db2.gz SHFYLYPDXPWTNT-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCn1cncn1 ZINC001379333521 888124533 /nfs/dbraw/zinc/12/45/33/888124533.db2.gz BFEWFJZJNRBYRZ-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCOC1 ZINC001379342970 888124604 /nfs/dbraw/zinc/12/46/04/888124604.db2.gz HNJPNFLOEBUJRK-SFYZADRCSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1cnn(C)c1N ZINC001379347243 888124668 /nfs/dbraw/zinc/12/46/68/888124668.db2.gz BVUUOKXFSYDAIS-VXNVDRBHSA-N 0 3 280.332 -1.401 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)OC ZINC001379338838 888124885 /nfs/dbraw/zinc/12/48/85/888124885.db2.gz NTWMXGXSIUENQB-HTQZYQBOSA-N 0 3 274.321 -1.429 20 0 CAADHN CCC(=O)NC[C@@H](CO)NC[C@@H]1CCS(=O)(=O)C1 ZINC001379333481 888125141 /nfs/dbraw/zinc/12/51/41/888125141.db2.gz IUDIUEMIJDLBPD-UWVGGRQHSA-N 0 3 278.374 -1.102 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)C1CCOCC1 ZINC001379334851 888125181 /nfs/dbraw/zinc/12/51/81/888125181.db2.gz NYNBTFRAXCSRKK-LBPRGKRZSA-N 0 3 297.359 -1.229 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)CC(C)(C)O ZINC001379348072 888125259 /nfs/dbraw/zinc/12/52/59/888125259.db2.gz ARPBPDGGZQZQNW-SSDOTTSWSA-N 0 3 274.321 -1.563 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1COCCO1 ZINC001379342963 888125478 /nfs/dbraw/zinc/12/54/78/888125478.db2.gz VUWDVURQLNKOQM-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1cocn1 ZINC001379349859 888125693 /nfs/dbraw/zinc/12/56/93/888125693.db2.gz SIVRHASWXYYYIU-RQJHMYQMSA-N 0 3 283.288 -1.034 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)CS(C)(=O)=O ZINC001379345554 888126425 /nfs/dbraw/zinc/12/64/25/888126425.db2.gz RLVCNALAVNOPKZ-RKDXNWHRSA-N 0 3 293.389 -1.398 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CN[C@H]2CCCNC2=O)C1 ZINC001379358576 888127865 /nfs/dbraw/zinc/12/78/65/888127865.db2.gz YODGHNUIBDNMTP-SKDRFNHKSA-N 0 3 296.371 -1.162 20 0 CAADHN CC[C@H](C)NC(=O)CNC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001379353201 888129082 /nfs/dbraw/zinc/12/90/82/888129082.db2.gz DACZXQDWNHDTJS-VHSXEESVSA-N 0 3 297.363 -1.318 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCCNC1=O ZINC001379372010 888130770 /nfs/dbraw/zinc/13/07/70/888130770.db2.gz MLDTVVRASSVPFN-RKDXNWHRSA-N 0 3 285.348 -1.712 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@H](C)CNCC(N)=O ZINC001379363338 888131282 /nfs/dbraw/zinc/13/12/82/888131282.db2.gz PAZXMJCLISOIHF-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001379369169 888131659 /nfs/dbraw/zinc/13/16/59/888131659.db2.gz GAQZHUJKNNQXIB-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001379367007 888131959 /nfs/dbraw/zinc/13/19/59/888131959.db2.gz VXCVCFUUOIUXPH-SFYZADRCSA-N 0 3 291.373 -1.740 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001379380550 888133431 /nfs/dbraw/zinc/13/34/31/888133431.db2.gz JLGZRYMBUDAHIU-SECBINFHSA-N 0 3 298.347 -2.188 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccn(C)c(=O)c1 ZINC001379381722 888133822 /nfs/dbraw/zinc/13/38/22/888133822.db2.gz QTVQYRGXSWAEFH-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001379381364 888133973 /nfs/dbraw/zinc/13/39/73/888133973.db2.gz KLHACIYZBFYCMK-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN Cc1cnc2nc(C(=O)N[C@H](C)CNCC(N)=O)nn2c1 ZINC001379381615 888134673 /nfs/dbraw/zinc/13/46/73/888134673.db2.gz PLRZPVLJGITHPN-MRVPVSSYSA-N 0 3 291.315 -1.374 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O ZINC001379389321 888135435 /nfs/dbraw/zinc/13/54/35/888135435.db2.gz QYGFIQURWXHWNH-SFYZADRCSA-N 0 3 279.362 -1.740 20 0 CAADHN CC1(C(=O)NC[C@@H](CO)NCCN2CCNC2=O)CC1 ZINC001379397399 888138424 /nfs/dbraw/zinc/13/84/24/888138424.db2.gz GRCBARNACDFWGC-JTQLQIEISA-N 0 3 284.360 -1.122 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@H]1CCCCO1 ZINC001379407602 888140222 /nfs/dbraw/zinc/14/02/22/888140222.db2.gz ZZSCVRSXEZVECT-NWDGAFQWSA-N 0 3 297.359 -1.086 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1c[nH]c(=O)n1C ZINC001379410138 888140410 /nfs/dbraw/zinc/14/04/10/888140410.db2.gz ADWBEUIHKGUEMK-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001379423656 888140598 /nfs/dbraw/zinc/14/05/98/888140598.db2.gz YXFPUCNJZRFFKH-IEBDPFPHSA-N 0 3 296.371 -1.272 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001379420887 888140607 /nfs/dbraw/zinc/14/06/07/888140607.db2.gz WTWMFTWRIGGKBY-BDAKNGLRSA-N 0 3 283.332 -2.006 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001379421594 888140652 /nfs/dbraw/zinc/14/06/52/888140652.db2.gz ULSZVVRXVDLUIG-HTQZYQBOSA-N 0 3 281.316 -1.278 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1ccn2nnnc2c1 ZINC001379411594 888140832 /nfs/dbraw/zinc/14/08/32/888140832.db2.gz IKTQDSXVLFLTRM-SSDOTTSWSA-N 0 3 277.288 -1.683 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CN1CCNC(=O)C1 ZINC001379413238 888140905 /nfs/dbraw/zinc/14/09/05/888140905.db2.gz QCFROAOVNRSKPX-RKDXNWHRSA-N 0 3 285.348 -2.614 20 0 CAADHN CN(C)C(=O)CN[C@@H](CO)CNC(=O)CCc1c[nH]cn1 ZINC001379407385 888140972 /nfs/dbraw/zinc/14/09/72/888140972.db2.gz BHGDXNQTNIJMKH-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN CN(C)C(=O)CN[C@@H](CO)CNC(=O)CCc1cnc[nH]1 ZINC001379407385 888140976 /nfs/dbraw/zinc/14/09/76/888140976.db2.gz BHGDXNQTNIJMKH-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001379418569 888141528 /nfs/dbraw/zinc/14/15/28/888141528.db2.gz ZUTWCUNCTMEFPO-HRDYMLBCSA-N 0 3 270.333 -1.425 20 0 CAADHN CC[C@@H](N[C@@H](CO)CNC(=O)Cn1cncc1C)C(N)=O ZINC001379440496 888143182 /nfs/dbraw/zinc/14/31/82/888143182.db2.gz JHLAEEZLXVQHSO-GHMZBOCLSA-N 0 3 297.359 -1.478 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001379433075 888144204 /nfs/dbraw/zinc/14/42/04/888144204.db2.gz MTMGSQQZJADLEE-KOLCDFICSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](O)C[NH2+][C@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001379436907 888144237 /nfs/dbraw/zinc/14/42/37/888144237.db2.gz NJLTUAUQFQCQBQ-YUMQZZPRSA-N 0 3 270.289 -1.757 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)Cn1cncn1 ZINC001379457398 888145508 /nfs/dbraw/zinc/14/55/08/888145508.db2.gz LEFXBYIBDNTYCJ-SECBINFHSA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001379456497 888146498 /nfs/dbraw/zinc/14/64/98/888146498.db2.gz DYFBWXYKUIFURH-HTQZYQBOSA-N 0 3 281.316 -1.638 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)c1ccc(=O)n(C)n1 ZINC001379457750 888146738 /nfs/dbraw/zinc/14/67/38/888146738.db2.gz LVRJPIYITABFLJ-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN Cc1nn[nH]c1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001379450643 888146897 /nfs/dbraw/zinc/14/68/97/888146897.db2.gz NSOWIFQZWWRXEU-SECBINFHSA-N 0 3 294.319 -1.915 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001379466645 888147045 /nfs/dbraw/zinc/14/70/45/888147045.db2.gz RZWPMGUXHUQRII-HTQZYQBOSA-N 0 3 294.377 -2.236 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)NC(=O)Cn2cncn2)C1=O ZINC001379460101 888147683 /nfs/dbraw/zinc/14/76/83/888147683.db2.gz YMLLNQNQSCJHLJ-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)[C@@H]1CC12CC2 ZINC001379477861 888148938 /nfs/dbraw/zinc/14/89/38/888148938.db2.gz VGQALMIYZLUELI-QWRGUYRKSA-N 0 3 296.371 -1.122 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001379474335 888149059 /nfs/dbraw/zinc/14/90/59/888149059.db2.gz RQJUCMRACHLCFF-MNOVXSKESA-N 0 3 286.376 -1.717 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCCNC1=O ZINC001379475771 888149837 /nfs/dbraw/zinc/14/98/37/888149837.db2.gz MZBCOEJYVNUFJC-WCBMZHEXSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001379474339 888150618 /nfs/dbraw/zinc/15/06/18/888150618.db2.gz RQJUCMRACHLCFF-QWRGUYRKSA-N 0 3 286.376 -1.717 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cn1cnnn1)C(=O)NC1CC1 ZINC001379484939 888150880 /nfs/dbraw/zinc/15/08/80/888150880.db2.gz UTHLRZPWQDJKBI-DTWKUNHWSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C[C@@H]1CCCO1 ZINC001379489425 888153376 /nfs/dbraw/zinc/15/33/76/888153376.db2.gz QSRBQEJSFPNPLT-IUCAKERBSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ccon1 ZINC001379496291 888152467 /nfs/dbraw/zinc/15/24/67/888152467.db2.gz VNZCGGABVBOXNP-BQBZGAKWSA-N 0 3 283.288 -1.034 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001379497099 888152655 /nfs/dbraw/zinc/15/26/55/888152655.db2.gz RUVCBVWYPKYCPV-IUCAKERBSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C[C@@H]1CCOC1 ZINC001379498677 888153465 /nfs/dbraw/zinc/15/34/65/888153465.db2.gz WLUTWPZFFOYSIG-IUCAKERBSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CNCC(=O)NC1CC1 ZINC001379485569 888153500 /nfs/dbraw/zinc/15/35/00/888153500.db2.gz KUUCHKGWEVPBBU-VIFPVBQESA-N 0 3 284.360 -1.162 20 0 CAADHN Cc1nn(C)cc1CN[C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001379495623 888153832 /nfs/dbraw/zinc/15/38/32/888153832.db2.gz AGDVKCQLHHLPDX-SNVBAGLBSA-N 0 3 293.331 -1.273 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@H](C)NC(N)=O ZINC001379490917 888153952 /nfs/dbraw/zinc/15/39/52/888153952.db2.gz UCYKIHYOVJNKAC-CIUDSAMLSA-N 0 3 285.348 -1.632 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCOCC1 ZINC001379494068 888153981 /nfs/dbraw/zinc/15/39/81/888153981.db2.gz WKOSMUOLCZRYAM-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN Cc1oncc1CN[C@H](CO)CNC(=O)Cc1nnc[nH]1 ZINC001379510052 888157262 /nfs/dbraw/zinc/15/72/62/888157262.db2.gz RKURNQKRKIMFRE-JTQLQIEISA-N 0 3 294.315 -1.089 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NCc1nncn1C)N(C)C ZINC001379507158 888157432 /nfs/dbraw/zinc/15/74/32/888157432.db2.gz UOCQOKWVMBMHJI-QWRGUYRKSA-N 0 3 298.391 -1.278 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001379515584 888160060 /nfs/dbraw/zinc/16/00/60/888160060.db2.gz VXCVCFUUOIUXPH-YUMQZZPRSA-N 0 3 291.373 -1.740 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001379524516 888160736 /nfs/dbraw/zinc/16/07/36/888160736.db2.gz MSIRTEGEQJNBSH-UWVGGRQHSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1ncn(C)c1=O ZINC001379519154 888160983 /nfs/dbraw/zinc/16/09/83/888160983.db2.gz FPBHJJKRNKBYHU-YUMQZZPRSA-N 0 3 284.320 -2.450 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001379519152 888161022 /nfs/dbraw/zinc/16/10/22/888161022.db2.gz FPBHJJKRNKBYHU-JGVFFNPUSA-N 0 3 284.320 -2.450 20 0 CAADHN CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001379525071 888161386 /nfs/dbraw/zinc/16/13/86/888161386.db2.gz SEIYLRJHUXISLY-ONGXEEELSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)Cc1cncs1 ZINC001379520812 888161595 /nfs/dbraw/zinc/16/15/95/888161595.db2.gz YRFFUOLJKVHCDI-ZETCQYMHSA-N 0 3 299.356 -1.025 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC)[C@H]1C ZINC001379544667 888162759 /nfs/dbraw/zinc/16/27/59/888162759.db2.gz MYUBBJZYQQWENL-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001379544690 888162701 /nfs/dbraw/zinc/16/27/01/888162701.db2.gz NBUJVWKMDWTCIO-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001379537984 888162849 /nfs/dbraw/zinc/16/28/49/888162849.db2.gz XJRWBBLNMSRVSV-YUMQZZPRSA-N 0 3 281.316 -1.388 20 0 CAADHN CCOCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C[C@H]1C ZINC001379572451 888163244 /nfs/dbraw/zinc/16/32/44/888163244.db2.gz ILPZPGREMSHXBM-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CNC(=O)C1CC1 ZINC001379575636 888163549 /nfs/dbraw/zinc/16/35/49/888163549.db2.gz FPCXPINIEIVMJP-WCBMZHEXSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CNC(C)=O)C1 ZINC001379581929 888163581 /nfs/dbraw/zinc/16/35/81/888163581.db2.gz VZKGWZQTFITNRG-WCBMZHEXSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001379550954 888163638 /nfs/dbraw/zinc/16/36/38/888163638.db2.gz KKGOWXHVHXPOTK-GDPRMGEGSA-N 0 3 296.371 -1.177 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC)[C@@H]1C ZINC001379544664 888163707 /nfs/dbraw/zinc/16/37/07/888163707.db2.gz MYUBBJZYQQWENL-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001379534218 888163797 /nfs/dbraw/zinc/16/37/97/888163797.db2.gz YXONMCMCRSIIEE-SFYZADRCSA-N 0 3 298.347 -1.786 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)Cn1cnnn1 ZINC001379546376 888163864 /nfs/dbraw/zinc/16/38/64/888163864.db2.gz OWMPVHOITQSMFN-UWVGGRQHSA-N 0 3 295.347 -1.660 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@@H]1C ZINC001379557434 888164019 /nfs/dbraw/zinc/16/40/19/888164019.db2.gz UUNRJCHJQVBMMY-BDAKNGLRSA-N 0 3 293.327 -1.292 20 0 CAADHN Cc1nccn1CC(=O)NC[C@H](CO)N[C@@H](C)C(N)=O ZINC001379531560 888164124 /nfs/dbraw/zinc/16/41/24/888164124.db2.gz WKGQPYUQCCKHGO-WCBMZHEXSA-N 0 3 283.332 -1.868 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CNC(=O)C1CC1 ZINC001379575630 888164941 /nfs/dbraw/zinc/16/49/41/888164941.db2.gz FPCXPINIEIVMJP-PSASIEDQSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)Cn2cncn2)C1 ZINC001379580370 888164445 /nfs/dbraw/zinc/16/44/45/888164445.db2.gz BFKJHOAXXVIESP-ZJUUUORDSA-N 0 3 280.332 -1.397 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001379554602 888164644 /nfs/dbraw/zinc/16/46/44/888164644.db2.gz XDMJVFYSIZSPKQ-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001379578303 888164743 /nfs/dbraw/zinc/16/47/43/888164743.db2.gz CWOMEPNJFCEVOM-ONGXEEELSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1ccncn1)C(=O)NC(N)=O ZINC001379565143 888164991 /nfs/dbraw/zinc/16/49/91/888164991.db2.gz DGUBISMTQBANHF-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CNC(C)=O)C1 ZINC001379581921 888165210 /nfs/dbraw/zinc/16/52/10/888165210.db2.gz VZKGWZQTFITNRG-SCZZXKLOSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)Cn2cncn2)C1 ZINC001379580367 888165257 /nfs/dbraw/zinc/16/52/57/888165257.db2.gz BFKJHOAXXVIESP-VHSXEESVSA-N 0 3 280.332 -1.397 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)Cn1nnnc1C(C)C ZINC001379563219 888165298 /nfs/dbraw/zinc/16/52/98/888165298.db2.gz PBIFGMHLTSJADY-VIFPVBQESA-N 0 3 297.363 -1.363 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001379551465 888165336 /nfs/dbraw/zinc/16/53/36/888165336.db2.gz LVOZJQXRVSVXQP-AEJSXWLSSA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001379565489 888165363 /nfs/dbraw/zinc/16/53/63/888165363.db2.gz MFIFFXFOTALQDO-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN COCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001379686069 888166108 /nfs/dbraw/zinc/16/61/08/888166108.db2.gz BKDJXFRZQOLUOW-MRVPVSSYSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)Cc1nc2ncccn2n1 ZINC001379601551 888166343 /nfs/dbraw/zinc/16/63/43/888166343.db2.gz UHBZRYWEORYYEM-QMMMGPOBSA-N 0 3 291.315 -1.754 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001379597184 888166872 /nfs/dbraw/zinc/16/68/72/888166872.db2.gz MXRGBENGNZGLBD-DTWKUNHWSA-N 0 3 297.359 -1.304 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCNC(N)=O ZINC001379600499 888167244 /nfs/dbraw/zinc/16/72/44/888167244.db2.gz RMSSFNWIZREVFO-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN Cc1nccn1CC(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001379594303 888167414 /nfs/dbraw/zinc/16/74/14/888167414.db2.gz BSPDQLIRLMNJHQ-QMMMGPOBSA-N 0 3 296.331 -1.519 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)CS(C)(=O)=O)C(N)=O ZINC001380768076 888231165 /nfs/dbraw/zinc/23/11/65/888231165.db2.gz QIYAHQQCWLPZCL-QMMMGPOBSA-N 0 3 295.361 -2.685 20 0 CAADHN COCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C(C)(C)C1 ZINC001379686072 888167596 /nfs/dbraw/zinc/16/75/96/888167596.db2.gz BKDJXFRZQOLUOW-QMMMGPOBSA-N 0 3 286.332 -1.346 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001379597498 888167971 /nfs/dbraw/zinc/16/79/71/888167971.db2.gz NVUQGPBRCUGLHW-BDAKNGLRSA-N 0 3 293.389 -1.493 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1nonc1C ZINC001379605673 888168622 /nfs/dbraw/zinc/16/86/22/888168622.db2.gz JFXWNMBQTHPKTD-LURJTMIESA-N 0 3 298.303 -1.458 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1cnn(C)c1 ZINC001379760596 888169610 /nfs/dbraw/zinc/16/96/10/888169610.db2.gz HVOKOPFELOOPJV-NSHDSACASA-N 0 3 297.359 -1.883 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001379742929 888169944 /nfs/dbraw/zinc/16/99/44/888169944.db2.gz IIYCJMLXYAXMML-NXEZZACHSA-N 0 3 286.332 -2.580 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001379763399 888170053 /nfs/dbraw/zinc/17/00/53/888170053.db2.gz BWVZCAXQANMNRA-IUCAKERBSA-N 0 3 287.316 -2.166 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001379742127 888170246 /nfs/dbraw/zinc/17/02/46/888170246.db2.gz FGDBWWDYCCXEJR-LLVKDONJSA-N 0 3 297.359 -1.469 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001379736819 888170287 /nfs/dbraw/zinc/17/02/87/888170287.db2.gz AIRRAUJTOTTYEO-JTQLQIEISA-N 0 3 275.349 -1.480 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CCn1cccn1 ZINC001379740577 888170297 /nfs/dbraw/zinc/17/02/97/888170297.db2.gz GKLQKBMNAUIQSX-NSHDSACASA-N 0 3 297.359 -1.572 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CN(C)C(C)=O ZINC001379737485 888170413 /nfs/dbraw/zinc/17/04/13/888170413.db2.gz BRSSORWYLSOIGY-SNVBAGLBSA-N 0 3 288.348 -2.380 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001379744687 888170645 /nfs/dbraw/zinc/17/06/45/888170645.db2.gz JPSJEHIMLQWDPS-SNVBAGLBSA-N 0 3 283.332 -1.811 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CNC(=O)NC)CC1(C)C ZINC001379716727 888170699 /nfs/dbraw/zinc/17/06/99/888170699.db2.gz ZDPSOXGQYIRIGL-VIFPVBQESA-N 0 3 299.375 -1.512 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)NC[C@@H](O)CN(C)C(C)=O ZINC001379728737 888171129 /nfs/dbraw/zinc/17/11/29/888171129.db2.gz KAGQMUWNRSAPJH-WCBMZHEXSA-N 0 3 288.348 -1.351 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001379763397 888171525 /nfs/dbraw/zinc/17/15/25/888171525.db2.gz BWVZCAXQANMNRA-DTWKUNHWSA-N 0 3 287.316 -2.166 20 0 CAADHN CC(=O)N(C)C[C@H](O)CNCC(=O)N1CCO[C@@H](C)C1 ZINC001379731276 888171730 /nfs/dbraw/zinc/17/17/30/888171730.db2.gz SSTSPKHJVSIRMN-CMPLNLGQSA-N 0 3 287.360 -1.338 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cocn1)C(N)=O ZINC001379753366 888171863 /nfs/dbraw/zinc/17/18/63/888171863.db2.gz BALFHOKECXKVPJ-RKDXNWHRSA-N 0 3 284.316 -1.039 20 0 CAADHN Cc1ncncc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001379743649 888171887 /nfs/dbraw/zinc/17/18/87/888171887.db2.gz NBJRJAMJFHKRSZ-ZJUUUORDSA-N 0 3 295.343 -1.319 20 0 CAADHN COCC(C)(C)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001379809716 888172651 /nfs/dbraw/zinc/17/26/51/888172651.db2.gz DSCQBQNXVHTEHQ-VIFPVBQESA-N 0 3 275.349 -1.447 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)COC(C)(C)C ZINC001379771255 888172676 /nfs/dbraw/zinc/17/26/76/888172676.db2.gz QNOMBCVGPHIELT-JTQLQIEISA-N 0 3 289.376 -1.044 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)co1 ZINC001379771045 888172702 /nfs/dbraw/zinc/17/27/02/888172702.db2.gz GDNJWLBXJQEOMO-APPZFPTMSA-N 0 3 284.316 -1.121 20 0 CAADHN CO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001379771388 888172978 /nfs/dbraw/zinc/17/29/78/888172978.db2.gz UPGXXQDELFJHML-UWVGGRQHSA-N 0 3 275.349 -1.482 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CCCOCC1 ZINC001379776050 888173003 /nfs/dbraw/zinc/17/30/03/888173003.db2.gz QULPBSLTOIAITK-WDEREUQCSA-N 0 3 287.360 -1.303 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)[C@@H]1CCOC1 ZINC001379769926 888173211 /nfs/dbraw/zinc/17/32/11/888173211.db2.gz SRWVELVXCROSEW-ZYHUDNBSSA-N 0 3 299.371 -1.290 20 0 CAADHN COCC(C)(C)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001379809684 888173329 /nfs/dbraw/zinc/17/33/29/888173329.db2.gz DSCQBQNXVHTEHQ-SECBINFHSA-N 0 3 275.349 -1.447 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C ZINC001379779717 888173630 /nfs/dbraw/zinc/17/36/30/888173630.db2.gz OBEQFQNQYGQULF-CMPLNLGQSA-N 0 3 289.376 -1.500 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)[C@H]1CCOC1 ZINC001379769920 888173437 /nfs/dbraw/zinc/17/34/37/888173437.db2.gz SRWVELVXCROSEW-JQWIXIFHSA-N 0 3 299.371 -1.290 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@H](O)CNCC(N)=O)C1 ZINC001379778254 888173453 /nfs/dbraw/zinc/17/34/53/888173453.db2.gz VGIRMEKCKAEEGC-SNVBAGLBSA-N 0 3 286.332 -2.641 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cocn1 ZINC001379763710 888173552 /nfs/dbraw/zinc/17/35/52/888173552.db2.gz WMOIXPRKDOJYIP-VIFPVBQESA-N 0 3 284.316 -1.167 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cnc2n1CCC2 ZINC001379789581 888173667 /nfs/dbraw/zinc/17/36/67/888173667.db2.gz KSZOOOMGCZWZLK-SECBINFHSA-N 0 3 295.343 -1.663 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cnc2n1CCC2 ZINC001379789584 888173747 /nfs/dbraw/zinc/17/37/47/888173747.db2.gz KSZOOOMGCZWZLK-VIFPVBQESA-N 0 3 295.343 -1.663 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)[C@H]1CCOC1 ZINC001379769917 888173828 /nfs/dbraw/zinc/17/38/28/888173828.db2.gz SRWVELVXCROSEW-CMPLNLGQSA-N 0 3 299.371 -1.290 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001379810055 888173916 /nfs/dbraw/zinc/17/39/16/888173916.db2.gz DYRFZLSHZWKXCX-DCQANWLSSA-N 0 3 299.371 -1.624 20 0 CAADHN CO[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001379771389 888174017 /nfs/dbraw/zinc/17/40/17/888174017.db2.gz UPGXXQDELFJHML-VHSXEESVSA-N 0 3 275.349 -1.482 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)o1 ZINC001379782004 888174062 /nfs/dbraw/zinc/17/40/62/888174062.db2.gz TXEFMTDKGNEDIW-VXNVDRBHSA-N 0 3 299.331 -1.797 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1ccnn1C ZINC001379794379 888174070 /nfs/dbraw/zinc/17/40/70/888174070.db2.gz HTFWWXWDGHDAQO-NSHDSACASA-N 0 3 297.359 -1.753 20 0 CAADHN Cc1ncoc1C(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001379763797 888174373 /nfs/dbraw/zinc/17/43/73/888174373.db2.gz LERYTIHZVOOWAF-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)o1 ZINC001379782002 888174389 /nfs/dbraw/zinc/17/43/89/888174389.db2.gz TXEFMTDKGNEDIW-IONNQARKSA-N 0 3 299.331 -1.797 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001379853146 888175593 /nfs/dbraw/zinc/17/55/93/888175593.db2.gz MMMOEDSIFMYPLF-SECBINFHSA-N 0 3 281.316 -1.755 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cccnn1)C(N)=O ZINC001379848800 888175827 /nfs/dbraw/zinc/17/58/27/888175827.db2.gz DRRDMFSTLZGMJQ-VHSXEESVSA-N 0 3 295.343 -1.237 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ncccn1 ZINC001379849595 888175995 /nfs/dbraw/zinc/17/59/95/888175995.db2.gz GJGVECNYEFTDQU-NXEZZACHSA-N 0 3 293.327 -1.612 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001379835659 888176004 /nfs/dbraw/zinc/17/60/04/888176004.db2.gz PAWVQTOYAJDZIE-VXGBXAGGSA-N 0 3 296.371 -1.162 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001379858075 888176028 /nfs/dbraw/zinc/17/60/28/888176028.db2.gz IQBWTBXNWCAIDE-MRVPVSSYSA-N 0 3 297.315 -2.712 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001379851408 888176220 /nfs/dbraw/zinc/17/62/20/888176220.db2.gz WIEWYGQWUNZTIR-WCBMZHEXSA-N 0 3 295.347 -1.708 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CN1CCOCC1)C1CC1 ZINC001379859882 888176263 /nfs/dbraw/zinc/17/62/63/888176263.db2.gz LBTIHKIFZGRUBD-LBPRGKRZSA-N 0 3 298.387 -1.451 20 0 CAADHN COc1ncccc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001379822437 888176370 /nfs/dbraw/zinc/17/63/70/888176370.db2.gz OWBBCTOGKPNVDP-SECBINFHSA-N 0 3 296.327 -1.402 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001379835619 888176411 /nfs/dbraw/zinc/17/64/11/888176411.db2.gz PAWVQTOYAJDZIE-NEPJUHHUSA-N 0 3 296.371 -1.162 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)c1cnon1 ZINC001379852553 888176511 /nfs/dbraw/zinc/17/65/11/888176511.db2.gz LTBWBKKLOLVXRZ-SECBINFHSA-N 0 3 297.315 -1.629 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001379851407 888176580 /nfs/dbraw/zinc/17/65/80/888176580.db2.gz WIEWYGQWUNZTIR-SCZZXKLOSA-N 0 3 295.347 -1.708 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccncn1 ZINC001379838963 888176611 /nfs/dbraw/zinc/17/66/11/888176611.db2.gz GYMWRGBWJIBHKU-ZJUUUORDSA-N 0 3 293.327 -1.612 20 0 CAADHN Cn1cc(C(=O)N[C@H](CN[C@@H]2CCNC2=O)C2CC2)nn1 ZINC001379854920 888176655 /nfs/dbraw/zinc/17/66/55/888176655.db2.gz FZIBOWNKRJIPGA-NXEZZACHSA-N 0 3 292.343 -1.198 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001379836555 888176820 /nfs/dbraw/zinc/17/68/20/888176820.db2.gz CSIMZRKUYMJHOM-BDAKNGLRSA-N 0 3 298.347 -2.028 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001379851409 888176924 /nfs/dbraw/zinc/17/69/24/888176924.db2.gz WIEWYGQWUNZTIR-WPRPVWTQSA-N 0 3 295.347 -1.708 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001379836557 888177019 /nfs/dbraw/zinc/17/70/19/888177019.db2.gz CSIMZRKUYMJHOM-DTWKUNHWSA-N 0 3 298.347 -2.028 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001379851406 888177040 /nfs/dbraw/zinc/17/70/40/888177040.db2.gz WIEWYGQWUNZTIR-PSASIEDQSA-N 0 3 295.347 -1.708 20 0 CAADHN COc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)nn1C ZINC001379815484 888177145 /nfs/dbraw/zinc/17/71/45/888177145.db2.gz OMLAJVXOFMILEL-QMMMGPOBSA-N 0 3 299.331 -2.064 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001379858668 888177171 /nfs/dbraw/zinc/17/71/71/888177171.db2.gz KSBYTUUHISJSEW-WPRPVWTQSA-N 0 3 299.375 -1.336 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)C1CC1 ZINC001379896375 888177897 /nfs/dbraw/zinc/17/78/97/888177897.db2.gz DQTHGSSCNXSVQZ-MNOVXSKESA-N 0 3 296.371 -1.162 20 0 CAADHN CCc1ncncc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001379861666 888178247 /nfs/dbraw/zinc/17/82/47/888178247.db2.gz NALJLBPVFRJKFZ-SECBINFHSA-N 0 3 295.343 -1.453 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001379912254 888178283 /nfs/dbraw/zinc/17/82/83/888178283.db2.gz BTIXDDKHBDNXQB-JTQLQIEISA-N 0 3 290.364 -1.951 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1CC1 ZINC001379865189 888178323 /nfs/dbraw/zinc/17/83/23/888178323.db2.gz VZRYIWYUWBRFPO-IONNQARKSA-N 0 3 285.348 -1.726 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CN1CCOCC1=O)C1CC1 ZINC001379871137 888178393 /nfs/dbraw/zinc/17/83/93/888178393.db2.gz FYZKQLBVHVZGMT-JTQLQIEISA-N 0 3 298.343 -2.185 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN(C)CCn1cncn1 ZINC001379864418 888179476 /nfs/dbraw/zinc/17/94/76/888179476.db2.gz GPSOOYOKFPSNBR-LLVKDONJSA-N 0 3 285.348 -1.324 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1ncccn1)C(N)=O ZINC001379861372 888179534 /nfs/dbraw/zinc/17/95/34/888179534.db2.gz ZIXDQHWHPPPRIU-IUCAKERBSA-N 0 3 281.316 -1.627 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC1=O ZINC001379867290 888179940 /nfs/dbraw/zinc/17/99/40/888179940.db2.gz CXMCAOFPIQYSGO-ZJUUUORDSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ncccn1)C(N)=O ZINC001379861377 888179664 /nfs/dbraw/zinc/17/96/64/888179664.db2.gz ZIXDQHWHPPPRIU-RKDXNWHRSA-N 0 3 281.316 -1.627 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)Cc1ccc[nH]1 ZINC001379867582 888179736 /nfs/dbraw/zinc/17/97/36/888179736.db2.gz QCQHDGJMBOXZGR-RYUDHWBXSA-N 0 3 294.355 -1.145 20 0 CAADHN C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1nnc[n-]1 ZINC001379904352 888179798 /nfs/dbraw/zinc/17/97/98/888179798.db2.gz BLELNYYNQHYTMV-WDEREUQCSA-N 0 3 299.375 -1.131 20 0 CAADHN C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1nnc[n-]1 ZINC001379904352 888179802 /nfs/dbraw/zinc/17/98/02/888179802.db2.gz BLELNYYNQHYTMV-WDEREUQCSA-N 0 3 299.375 -1.131 20 0 CAADHN Cc1cnn(CC(=O)N(C)C[C@@H](O)CN(C)CCO)c1 ZINC001379910823 888179878 /nfs/dbraw/zinc/17/98/78/888179878.db2.gz NPCVJMUYPLQVLB-LBPRGKRZSA-N 0 3 284.360 -1.065 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001379866318 888179893 /nfs/dbraw/zinc/17/98/93/888179893.db2.gz XFNUHKZOUBYGBY-VIFPVBQESA-N 0 3 285.348 -1.725 20 0 CAADHN C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1nnc[n-]1 ZINC001379904345 888180114 /nfs/dbraw/zinc/18/01/14/888180114.db2.gz BLELNYYNQHYTMV-GHMZBOCLSA-N 0 3 299.375 -1.131 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001379887854 888179953 /nfs/dbraw/zinc/17/99/53/888179953.db2.gz MUOPOISUXUTGMS-MWLCHTKSSA-N 0 3 297.359 -1.582 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001379916533 888180069 /nfs/dbraw/zinc/18/00/69/888180069.db2.gz RXVWUDFCHHXALP-UWVGGRQHSA-N 0 3 290.364 -1.559 20 0 CAADHN C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1nnc[n-]1 ZINC001379904345 888180117 /nfs/dbraw/zinc/18/01/17/888180117.db2.gz BLELNYYNQHYTMV-GHMZBOCLSA-N 0 3 299.375 -1.131 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)CC1=O ZINC001379867285 888180281 /nfs/dbraw/zinc/18/02/81/888180281.db2.gz CXMCAOFPIQYSGO-UWVGGRQHSA-N 0 3 282.344 -1.566 20 0 CAADHN Cn1cc(CCC(=O)N[C@@H](CNCC(N)=O)C2CC2)nn1 ZINC001379913015 888180372 /nfs/dbraw/zinc/18/03/72/888180372.db2.gz AIPDNNFVFWAPED-NSHDSACASA-N 0 3 294.359 -1.283 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)Cn1cncn1)C1CC1 ZINC001379931323 888182299 /nfs/dbraw/zinc/18/22/99/888182299.db2.gz YQWCDXNQPWIGBV-LLVKDONJSA-N 0 3 294.359 -1.101 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1csnn1 ZINC001379943276 888182825 /nfs/dbraw/zinc/18/28/25/888182825.db2.gz NQAHNZUEVVMOJS-QMMMGPOBSA-N 0 3 274.346 -1.105 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1csnn1 ZINC001379943275 888183592 /nfs/dbraw/zinc/18/35/92/888183592.db2.gz NQAHNZUEVVMOJS-MRVPVSSYSA-N 0 3 274.346 -1.105 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001379924228 888184044 /nfs/dbraw/zinc/18/40/44/888184044.db2.gz PXMHFWXKZWVSFK-WCBMZHEXSA-N 0 3 294.359 -1.034 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CNCC(N)=O)C(C)(C)C ZINC001380042984 888186993 /nfs/dbraw/zinc/18/69/93/888186993.db2.gz JCENEQGWJQCSMV-SECBINFHSA-N 0 3 272.349 -1.272 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@]1(F)CCOC1 ZINC001379971615 888187892 /nfs/dbraw/zinc/18/78/92/888187892.db2.gz XPQGXNLCUSXNAU-JQWIXIFHSA-N 0 3 278.324 -1.142 20 0 CAADHN Cc1nnc(CC(=O)NCC2(N[C@H]3CCNC3=O)CC2)[nH]1 ZINC001380086959 888189864 /nfs/dbraw/zinc/18/98/64/888189864.db2.gz UQDGNUOLFXGION-VIFPVBQESA-N 0 3 292.343 -1.217 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)Cn1ncnn1)C(C)(C)C)C(N)=O ZINC001380077666 888189896 /nfs/dbraw/zinc/18/98/96/888189896.db2.gz XYWWWDSVJDVCRB-RKDXNWHRSA-N 0 3 297.363 -1.333 20 0 CAADHN C[C@H](NC[C@H](NC(=O)Cn1ncnn1)C(C)(C)C)C(N)=O ZINC001380077662 888191884 /nfs/dbraw/zinc/19/18/84/888191884.db2.gz XYWWWDSVJDVCRB-IUCAKERBSA-N 0 3 297.363 -1.333 20 0 CAADHN Cn1nncc1CNC1(CNC(=O)c2cn[nH]n2)CC1 ZINC001380113079 888193968 /nfs/dbraw/zinc/19/39/68/888193968.db2.gz FULMSLXZCQSEDE-UHFFFAOYSA-N 0 3 276.304 -1.015 20 0 CAADHN Cn1ncc(C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)n1 ZINC001380148744 888195238 /nfs/dbraw/zinc/19/52/38/888195238.db2.gz GIVXKGNIDYMKBH-SECBINFHSA-N 0 3 292.343 -1.054 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CNC(=O)NC ZINC001380266316 888198913 /nfs/dbraw/zinc/19/89/13/888198913.db2.gz BKZXPJQCARAXDQ-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001380292675 888199660 /nfs/dbraw/zinc/19/96/60/888199660.db2.gz VDTYOORUDCRTJN-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CN1CCOCC1=O ZINC001380268473 888199692 /nfs/dbraw/zinc/19/96/92/888199692.db2.gz GWCLXYSVTMQMHO-JTQLQIEISA-N 0 3 298.343 -2.089 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@@H]2CNCC(N)=O)cc1=O ZINC001380269341 888199945 /nfs/dbraw/zinc/19/99/45/888199945.db2.gz JHKQESQSDPNAMJ-SECBINFHSA-N 0 3 293.327 -1.540 20 0 CAADHN COCCC(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O ZINC001380263206 888200063 /nfs/dbraw/zinc/20/00/63/888200063.db2.gz HJLVICHVWKDZLC-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC001380277462 888200404 /nfs/dbraw/zinc/20/04/04/888200404.db2.gz VVKXKGDWJLETET-ZJUUUORDSA-N 0 3 298.343 -1.202 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CCn1cncn1 ZINC001380261254 888200354 /nfs/dbraw/zinc/20/03/54/888200354.db2.gz NYDRLOYJQLYCIW-JTQLQIEISA-N 0 3 280.332 -1.266 20 0 CAADHN Cn1nnc(C(=O)N[C@H](CNCC(N)=O)C2CCCC2)n1 ZINC001380322068 888200618 /nfs/dbraw/zinc/20/06/18/888200618.db2.gz IKGDYODICHRFKV-SECBINFHSA-N 0 3 295.347 -1.426 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@H]2CNCC(N)=O)cc1=O ZINC001380269346 888201149 /nfs/dbraw/zinc/20/11/49/888201149.db2.gz JHKQESQSDPNAMJ-VIFPVBQESA-N 0 3 293.327 -1.540 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001380285399 888201701 /nfs/dbraw/zinc/20/17/01/888201701.db2.gz RAMKLFOFGLVWOM-JTQLQIEISA-N 0 3 284.360 -1.033 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001380291634 888201807 /nfs/dbraw/zinc/20/18/07/888201807.db2.gz QVSJGVXUJDYFTA-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001380528907 888202733 /nfs/dbraw/zinc/20/27/33/888202733.db2.gz BEMGSZYAUNEZIN-ZDUSSCGKSA-N 0 3 285.344 -1.990 20 0 CAADHN O=C(Cn1ncnn1)NCC1(NCCF)CCOCC1 ZINC001380501072 888202787 /nfs/dbraw/zinc/20/27/87/888202787.db2.gz PGFONNYQBQZLCT-UHFFFAOYSA-N 0 3 286.311 -1.102 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@H]1COCCO1 ZINC001380521110 888204795 /nfs/dbraw/zinc/20/47/95/888204795.db2.gz LUCDMCVFRIVYDY-PWSUYJOCSA-N 0 3 274.317 -2.053 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@]1(O)CCN(CCn2cncn2)C1 ZINC001380513162 888205770 /nfs/dbraw/zinc/20/57/70/888205770.db2.gz FWPPWXLNYJTNIY-AAEUAGOBSA-N 0 3 297.359 -1.134 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001380546649 888208084 /nfs/dbraw/zinc/20/80/84/888208084.db2.gz BQLPGGXJJXXEOE-BXUZGUMPSA-N 0 3 299.371 -1.146 20 0 CAADHN O=C(NC[C@@]1(O)CC[N@@H+](CCCO)C1)c1cnc[n-]c1=O ZINC001380536831 888208584 /nfs/dbraw/zinc/20/85/84/888208584.db2.gz IUECSCYDQSELRX-ZDUSSCGKSA-N 0 3 296.327 -1.269 20 0 CAADHN O=C(NC[C@@]1(O)CC[N@H+](CCCO)C1)c1cnc[n-]c1=O ZINC001380536831 888208598 /nfs/dbraw/zinc/20/85/98/888208598.db2.gz IUECSCYDQSELRX-ZDUSSCGKSA-N 0 3 296.327 -1.269 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001380546651 888208832 /nfs/dbraw/zinc/20/88/32/888208832.db2.gz BQLPGGXJJXXEOE-RISCZKNCSA-N 0 3 299.371 -1.146 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)CCn2cnnn2)C1 ZINC001380549339 888209032 /nfs/dbraw/zinc/20/90/32/888209032.db2.gz HRIWVVLPJCJYFB-LBPRGKRZSA-N 0 3 298.347 -1.737 20 0 CAADHN Cn1cncc1CCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001380566816 888209079 /nfs/dbraw/zinc/20/90/79/888209079.db2.gz DEMNMKPIDPHNRQ-AWEZNQCLSA-N 0 3 296.371 -1.102 20 0 CAADHN O=C(NC[C@]1(O)CC[N@@H+](CCCO)C1)c1cnc[n-]c1=O ZINC001380536827 888209143 /nfs/dbraw/zinc/20/91/43/888209143.db2.gz IUECSCYDQSELRX-CYBMUJFWSA-N 0 3 296.327 -1.269 20 0 CAADHN O=C(NC[C@]1(O)CC[N@H+](CCCO)C1)c1cnc[n-]c1=O ZINC001380536827 888209152 /nfs/dbraw/zinc/20/91/52/888209152.db2.gz IUECSCYDQSELRX-CYBMUJFWSA-N 0 3 296.327 -1.269 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001380546185 888210320 /nfs/dbraw/zinc/21/03/20/888210320.db2.gz GNXPFTYZKDNCIC-BXUZGUMPSA-N 0 3 299.371 -1.193 20 0 CAADHN COCc1nocc1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001380547186 888211153 /nfs/dbraw/zinc/21/11/53/888211153.db2.gz QPWTUFSSBFWOJL-ZDUSSCGKSA-N 0 3 299.327 -1.020 20 0 CAADHN C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001380546368 888211266 /nfs/dbraw/zinc/21/12/66/888211266.db2.gz OICVKZBJIMHDIO-JOYOIKCWSA-N 0 3 283.332 -1.719 20 0 CAADHN C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001380546368 888211282 /nfs/dbraw/zinc/21/12/82/888211282.db2.gz OICVKZBJIMHDIO-JOYOIKCWSA-N 0 3 283.332 -1.719 20 0 CAADHN CCN(CC)C[C@H](F)C(=O)NCC1(O)CN(CCO)C1 ZINC001380597100 888216741 /nfs/dbraw/zinc/21/67/41/888216741.db2.gz GPYCWJBEGTWXSB-NSHDSACASA-N 0 3 291.367 -1.179 20 0 CAADHN CC[C@@H](C(=O)NCC1(O)CN(C[C@H](C)O)C1)N(C)C ZINC001380610859 888220281 /nfs/dbraw/zinc/22/02/81/888220281.db2.gz APGGHOBEWCLZOJ-QWRGUYRKSA-N 0 3 273.377 -1.130 20 0 CAADHN CC[C@@H](C(=O)NCC1(O)CN([C@H]2CCNC2=O)C1)N(C)C ZINC001380639090 888222391 /nfs/dbraw/zinc/22/23/91/888222391.db2.gz AIWQQQOLURQLGA-QWRGUYRKSA-N 0 3 298.387 -1.622 20 0 CAADHN O=C(NCC1(O)CN(C[C@H]2CCOC2)C1)c1ncn[nH]1 ZINC001380627372 888223289 /nfs/dbraw/zinc/22/32/89/888223289.db2.gz FBSKLCDBXQZEDL-SECBINFHSA-N 0 3 281.316 -1.382 20 0 CAADHN O=C(NCC1(O)CN(C[C@H]2CCOC2)C1)c1nc[nH]n1 ZINC001380627372 888223299 /nfs/dbraw/zinc/22/32/99/888223299.db2.gz FBSKLCDBXQZEDL-SECBINFHSA-N 0 3 281.316 -1.382 20 0 CAADHN O=C(Cn1ncnn1)N(CCO)CCN[C@H]1CCNC1=O ZINC001380765499 888226260 /nfs/dbraw/zinc/22/62/60/888226260.db2.gz MEIUBFIRVWLEQY-VIFPVBQESA-N 0 3 297.319 -3.028 20 0 CAADHN O=C(c1cccnc1)N(CCO)CCN[C@H]1CCNC1=O ZINC001380753428 888226725 /nfs/dbraw/zinc/22/67/25/888226725.db2.gz LJDRVNQSRBUSBP-LBPRGKRZSA-N 0 3 292.339 -1.006 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cnon1 ZINC001380763445 888226777 /nfs/dbraw/zinc/22/67/77/888226777.db2.gz JKXBWMIYZOGWHV-MRVPVSSYSA-N 0 3 285.304 -1.772 20 0 CAADHN Cc1cnc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)cn1 ZINC001380753045 888226843 /nfs/dbraw/zinc/22/68/43/888226843.db2.gz IOCMSDRDUSORCC-JTQLQIEISA-N 0 3 295.343 -1.317 20 0 CAADHN Cc1nc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)c[nH]1 ZINC001380760940 888227127 /nfs/dbraw/zinc/22/71/27/888227127.db2.gz BUAQSMDKRGVCOJ-QMMMGPOBSA-N 0 3 283.332 -1.384 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cncn1C)C(N)=O ZINC001380765516 888228427 /nfs/dbraw/zinc/22/84/27/888228427.db2.gz MJPHIZGGNFHMMC-SNVBAGLBSA-N 0 3 297.359 -1.292 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cnon1 ZINC001380763457 888228686 /nfs/dbraw/zinc/22/86/86/888228686.db2.gz JKXBWMIYZOGWHV-QMMMGPOBSA-N 0 3 285.304 -1.772 20 0 CAADHN O=C([C@H]1[C@@H]2COC[C@@H]21)N(CCO)CCN[C@@H]1CCNC1=O ZINC001380764376 888229393 /nfs/dbraw/zinc/22/93/93/888229393.db2.gz MJVXWWWKTBVTEA-KXNHARMFSA-N 0 3 297.355 -1.822 20 0 CAADHN O=C(C1=COCCC1)N(CCO)CCN[C@H]1CCNC1=O ZINC001380770409 888231092 /nfs/dbraw/zinc/23/10/92/888231092.db2.gz VRLQSPYHKIPNTO-LBPRGKRZSA-N 0 3 297.355 -1.020 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cnon1)C(N)=O ZINC001380767987 888231139 /nfs/dbraw/zinc/23/11/39/888231139.db2.gz WVUOWGWSLBHFGX-SSDOTTSWSA-N 0 3 271.277 -2.033 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCCC[C@@H]2CNCC(N)=O)C1 ZINC001380836216 888231707 /nfs/dbraw/zinc/23/17/07/888231707.db2.gz NUNFJTJBLUJCRM-GFCCVEGCSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cn1cncn1)C(N)=O ZINC001380770668 888233174 /nfs/dbraw/zinc/23/31/74/888233174.db2.gz GIGUNHCLRDQTGW-VIFPVBQESA-N 0 3 284.320 -2.438 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cccn1C)C(N)=O ZINC001380770623 888233766 /nfs/dbraw/zinc/23/37/66/888233766.db2.gz WVCQREMVMHWWCG-SNVBAGLBSA-N 0 3 282.344 -1.077 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)Cn2cnnn2)CCO1)C(N)=O ZINC001380905502 888234273 /nfs/dbraw/zinc/23/42/73/888234273.db2.gz VAHXJMWQOQVJOH-RKDXNWHRSA-N 0 3 297.319 -2.636 20 0 CAADHN Cn1cnc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)n1 ZINC001380907637 888234567 /nfs/dbraw/zinc/23/45/67/888234567.db2.gz FABWBVCBSRZRBQ-QMMMGPOBSA-N 0 3 282.304 -2.269 20 0 CAADHN CO[C@H](C)C(=O)N1CCO[C@@H](CNCC(=O)N(C)C)C1 ZINC001380902000 888234635 /nfs/dbraw/zinc/23/46/35/888234635.db2.gz JEGFPYMPHGPPPO-MNOVXSKESA-N 0 3 287.360 -1.074 20 0 CAADHN CO[C@@H](C(=O)N1CCO[C@H](CNCC(N)=O)C1)C1CC1 ZINC001380906582 888234821 /nfs/dbraw/zinc/23/48/21/888234821.db2.gz WWUSJAJPWDMXOF-ZYHUDNBSSA-N 0 3 285.344 -1.286 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCOC2)CCO1 ZINC001380898670 888234908 /nfs/dbraw/zinc/23/49/08/888234908.db2.gz AJKACBOKCBOKAB-QWRGUYRKSA-N 0 3 285.344 -1.414 20 0 CAADHN C[C@](O)(CC(=O)N1CCO[C@@H](CNCC(N)=O)C1)C1CC1 ZINC001380906903 888235059 /nfs/dbraw/zinc/23/50/59/888235059.db2.gz XZALUUQXKGPULO-FZMZJTMJSA-N 0 3 299.371 -1.160 20 0 CAADHN CO[C@H](C)C(=O)N1CCO[C@H](CNCC(=O)N(C)C)C1 ZINC001380901998 888235197 /nfs/dbraw/zinc/23/51/97/888235197.db2.gz JEGFPYMPHGPPPO-GHMZBOCLSA-N 0 3 287.360 -1.074 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001380900068 888235369 /nfs/dbraw/zinc/23/53/69/888235369.db2.gz XKDZJCKTSTWMCY-MNOVXSKESA-N 0 3 298.343 -2.172 20 0 CAADHN Cc1cncn1CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001380915149 888235487 /nfs/dbraw/zinc/23/54/87/888235487.db2.gz QHQRDMZIUCNZTH-LLVKDONJSA-N 0 3 295.343 -1.506 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cncnc2)CCO1)C(N)=O ZINC001380906585 888235684 /nfs/dbraw/zinc/23/56/84/888235684.db2.gz WWXBIAQMZCYAEK-GXSJLCMTSA-N 0 3 293.327 -1.219 20 0 CAADHN CO[C@@H](C)C(=O)N1CCO[C@@H](CNCC(=O)N(C)C)C1 ZINC001380902004 888235761 /nfs/dbraw/zinc/23/57/61/888235761.db2.gz JEGFPYMPHGPPPO-QWRGUYRKSA-N 0 3 287.360 -1.074 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)CC(C)(C)O)CCO1 ZINC001380906899 888236609 /nfs/dbraw/zinc/23/66/09/888236609.db2.gz XVCITYQWQAPRML-SNVBAGLBSA-N 0 3 287.360 -1.290 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001380907731 888236663 /nfs/dbraw/zinc/23/66/63/888236663.db2.gz AJHXLQRNFBTJBN-SECBINFHSA-N 0 3 296.331 -1.677 20 0 CAADHN Cn1ncc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)n1 ZINC001380916955 888237195 /nfs/dbraw/zinc/23/71/95/888237195.db2.gz PGJSGPWHXITAOC-QMMMGPOBSA-N 0 3 282.304 -2.269 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](OC)C2CC2)CCO1 ZINC001380906602 888236939 /nfs/dbraw/zinc/23/69/39/888236939.db2.gz XDYUVEIZJGRZIT-YPMHNXCESA-N 0 3 299.371 -1.026 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)CCOC)CCO1 ZINC001380898394 888237149 /nfs/dbraw/zinc/23/71/49/888237149.db2.gz PRQWFCCMRFRLFE-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN Cc1cncn1CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001380915151 888237361 /nfs/dbraw/zinc/23/73/61/888237361.db2.gz QHQRDMZIUCNZTH-NSHDSACASA-N 0 3 295.343 -1.506 20 0 CAADHN CC(C)(O)CC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001380905416 888237497 /nfs/dbraw/zinc/23/74/97/888237497.db2.gz SJLMBCWEYQUPIE-VIFPVBQESA-N 0 3 273.333 -1.550 20 0 CAADHN CCC(=O)N1CCO[C@H](CNCC(=O)NC(=O)NC)C1 ZINC001380900363 888238258 /nfs/dbraw/zinc/23/82/58/888238258.db2.gz ZNXHKBJPNGAFCZ-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)Cc2ccon2)CCO1)C(N)=O ZINC001380899669 888238421 /nfs/dbraw/zinc/23/84/21/888238421.db2.gz BJMZCFHXTLDPRL-KOLCDFICSA-N 0 3 296.327 -1.092 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001380971511 888241216 /nfs/dbraw/zinc/24/12/16/888241216.db2.gz NIMGVLZPDXWJEV-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN COCC(=O)N1CCC(O)(CNCC(=O)N(C)C)CC1 ZINC001381136801 888243087 /nfs/dbraw/zinc/24/30/87/888243087.db2.gz KXTUANOMODHIBT-UHFFFAOYSA-N 0 3 287.360 -1.336 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001381146571 888243903 /nfs/dbraw/zinc/24/39/03/888243903.db2.gz PEPXCDFPOQSXSQ-SNVBAGLBSA-N 0 3 285.344 -1.549 20 0 CAADHN Cc1c[nH]c(C(=O)N2CCC(O)(CNCC(N)=O)CC2)n1 ZINC001381157056 888244639 /nfs/dbraw/zinc/24/46/39/888244639.db2.gz QEIXTBMSUZTTKU-UHFFFAOYSA-N 0 3 295.343 -1.240 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001381115233 888244726 /nfs/dbraw/zinc/24/47/26/888244726.db2.gz NBCCKYXXIADCFU-RKDXNWHRSA-N 0 3 280.332 -1.057 20 0 CAADHN C[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1NCC(N)=O ZINC001381094818 888244848 /nfs/dbraw/zinc/24/48/48/888244848.db2.gz CMEXXHPERDHWKG-WPRPVWTQSA-N 0 3 282.344 -1.566 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2cccnn2)CCOCC1 ZINC001381066032 888245028 /nfs/dbraw/zinc/24/50/28/888245028.db2.gz MTZHRRBYJFZLIL-UHFFFAOYSA-N 0 3 293.327 -1.170 20 0 CAADHN NC(=O)C[NH2+]CC1(NC(=O)Cc2nnc[n-]2)CCOCC1 ZINC001381067985 888245189 /nfs/dbraw/zinc/24/51/89/888245189.db2.gz OISYGBZPSHNXRH-UHFFFAOYSA-N 0 3 296.331 -1.913 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@H]2CCCOC2)CC1 ZINC001381147682 888245519 /nfs/dbraw/zinc/24/55/19/888245519.db2.gz VTAYPOJYDQWLCG-NSHDSACASA-N 0 3 299.371 -1.159 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001381111056 888245582 /nfs/dbraw/zinc/24/55/82/888245582.db2.gz WKOMVCDTGVZEOJ-CMPLNLGQSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2nnc[n-]2)C[C@@H]1C ZINC001381098019 888245705 /nfs/dbraw/zinc/24/57/05/888245705.db2.gz SWDOURHVCGZEQJ-VHSXEESVSA-N 0 3 294.359 -1.080 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001381095221 888246087 /nfs/dbraw/zinc/24/60/87/888246087.db2.gz FLNLTTDXJFGCJZ-CMPLNLGQSA-N 0 3 298.387 -1.011 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2cnco2)CC1 ZINC001381153214 888245891 /nfs/dbraw/zinc/24/58/91/888245891.db2.gz GLJYSCITKZPSEB-UHFFFAOYSA-N 0 3 282.300 -1.283 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@H]2CCOC2)CC1 ZINC001381146569 888246069 /nfs/dbraw/zinc/24/60/69/888246069.db2.gz PEPXCDFPOQSXSQ-JTQLQIEISA-N 0 3 285.344 -1.549 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@@H]1NCC(=O)N(C)C ZINC001381122354 888246173 /nfs/dbraw/zinc/24/61/73/888246173.db2.gz IFXRVMLDVFXEEE-MNOVXSKESA-N 0 3 294.359 -1.197 20 0 CAADHN O=C(NC1(CO)CCN(CCCO)CC1)[C@@H]1CCC(=O)N1 ZINC001381255093 888248790 /nfs/dbraw/zinc/24/87/90/888248790.db2.gz DRWWIXQAIZXWFT-NSHDSACASA-N 0 3 299.371 -1.410 20 0 CAADHN COC[C@@H](OC)C(=O)NC1(CO)CCN(CCO)CC1 ZINC001381265002 888248944 /nfs/dbraw/zinc/24/89/44/888248944.db2.gz WEVFDHPUHYZEFB-LLVKDONJSA-N 0 3 290.360 -1.417 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)CCn1cnnn1 ZINC001381280571 888249045 /nfs/dbraw/zinc/24/90/45/888249045.db2.gz UHYXPVFRQITURW-JTQLQIEISA-N 0 3 295.347 -1.481 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001381401670 888251747 /nfs/dbraw/zinc/25/17/47/888251747.db2.gz PYPGJPOXSSMMFF-UWVGGRQHSA-N 0 3 299.375 -2.353 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001381401674 888252111 /nfs/dbraw/zinc/25/21/11/888252111.db2.gz PYPGJPOXSSMMFF-ZJUUUORDSA-N 0 3 299.375 -2.353 20 0 CAADHN C[C@@H](NC(=O)Cn1ncnn1)[C@H](C)NCC(=O)N1CCC1 ZINC001381378810 888252636 /nfs/dbraw/zinc/25/26/36/888252636.db2.gz NJCQCIZMXDPTDB-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1nnc[n-]1 ZINC001381354098 888252674 /nfs/dbraw/zinc/25/26/74/888252674.db2.gz BWVZKHJTPSNDLA-BDAKNGLRSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](NC(=O)c1cncn1C)[C@H](C)NCC(=O)NC(N)=O ZINC001381407784 888252693 /nfs/dbraw/zinc/25/26/93/888252693.db2.gz NVUIJLBRMYBTGC-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)Cn1ncnn1 ZINC001381378815 888252742 /nfs/dbraw/zinc/25/27/42/888252742.db2.gz NJCQCIZMXDPTDB-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001381373678 888253495 /nfs/dbraw/zinc/25/34/95/888253495.db2.gz MHSQPZGINCJXQJ-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1cncn1C ZINC001381407780 888253772 /nfs/dbraw/zinc/25/37/72/888253772.db2.gz NVUIJLBRMYBTGC-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NC[C@H](C)N(C)CCO ZINC001381533602 888258660 /nfs/dbraw/zinc/25/86/60/888258660.db2.gz IWNJSMJUTWYSCF-VIFPVBQESA-N 0 3 288.348 -2.333 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)c1ncn(C)n1 ZINC001381516922 888258815 /nfs/dbraw/zinc/25/88/15/888258815.db2.gz PXPSQNYFMJRJEU-NXEZZACHSA-N 0 3 285.348 -1.128 20 0 CAADHN C[C@@H](O)CN1CC(CCO)(NC(=O)Cc2cnc[nH]2)C1 ZINC001381686968 888263334 /nfs/dbraw/zinc/26/33/34/888263334.db2.gz MKMXINBURYWQJN-SNVBAGLBSA-N 0 3 282.344 -1.114 20 0 CAADHN CCNC(=O)CN1CC([C@H](C)NC(=O)c2ncn[nH]2)C1 ZINC001381826982 888266672 /nfs/dbraw/zinc/26/66/72/888266672.db2.gz VHEDHIHURYJJKI-QMMMGPOBSA-N 0 3 280.332 -1.009 20 0 CAADHN CCCC[C@@H](CNCC(N)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001381742497 888267924 /nfs/dbraw/zinc/26/79/24/888267924.db2.gz HSLAARLUKJUQMF-IUCAKERBSA-N 0 3 286.332 -1.155 20 0 CAADHN COCCN1CC([C@@H](C)NC(=O)CN2CCOCC2=O)C1 ZINC001381783508 888268195 /nfs/dbraw/zinc/26/81/95/888268195.db2.gz FNAXGAHSAJTILR-LLVKDONJSA-N 0 3 299.371 -1.072 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCO[C@H]([C@@H](C)NCC(N)=O)C1 ZINC001381926040 888269566 /nfs/dbraw/zinc/26/95/66/888269566.db2.gz HXMSCAZIXPTAMB-APPZFPTMSA-N 0 3 296.331 -1.582 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001381939472 888269805 /nfs/dbraw/zinc/26/98/05/888269805.db2.gz XYLROWYINUACQY-PSASIEDQSA-N 0 3 296.331 -1.881 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)COC)CCO1 ZINC001381924929 888270002 /nfs/dbraw/zinc/27/00/02/888270002.db2.gz HQZGRNIGYAEHFD-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2ncccn2)CCO1 ZINC001381925390 888270722 /nfs/dbraw/zinc/27/07/22/888270722.db2.gz HSHISGLVLSFHPL-NXEZZACHSA-N 0 3 293.327 -1.219 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001382069568 888272929 /nfs/dbraw/zinc/27/29/29/888272929.db2.gz KYJKZINBCBTEJR-HTQZYQBOSA-N 0 3 272.305 -1.723 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)N[C@@H](C)C(N)=O ZINC001382102764 888273083 /nfs/dbraw/zinc/27/30/83/888273083.db2.gz QVIJOYCSUWZTHV-BDAKNGLRSA-N 0 3 298.347 -2.108 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1ccnn1)N[C@@H]1CCNC1=O ZINC001382075908 888273305 /nfs/dbraw/zinc/27/33/05/888273305.db2.gz VDADYJRHZNGMJI-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CC(=O)NCC(=O)N1CCC(N(C)[C@@H]2CCNC2=O)CC1 ZINC001381979552 888273384 /nfs/dbraw/zinc/27/33/84/888273384.db2.gz PEIRRBRBXXGFTI-GFCCVEGCSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)NCC(=O)N(C)C ZINC001382044460 888273555 /nfs/dbraw/zinc/27/35/55/888273555.db2.gz ULOXPHKCDJXPKT-SECBINFHSA-N 0 3 272.349 -1.353 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(C)nn1)N[C@H]1CCNC1=O ZINC001382077164 888273648 /nfs/dbraw/zinc/27/36/48/888273648.db2.gz WDESBCZERUPWAM-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001382045263 888273780 /nfs/dbraw/zinc/27/37/80/888273780.db2.gz UFGDDBMKQPNCIB-UWVGGRQHSA-N 0 3 297.359 -1.760 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)NCC(=O)NC1CC1 ZINC001382062665 888273858 /nfs/dbraw/zinc/27/38/58/888273858.db2.gz BWZYSWXNDMRWPP-PSASIEDQSA-N 0 3 298.343 -1.190 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001382059800 888273909 /nfs/dbraw/zinc/27/39/09/888273909.db2.gz NJGWRXYBGBNUQH-WDEREUQCSA-N 0 3 286.376 -1.501 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)N[C@H]1CCNC1=O ZINC001382044280 888273962 /nfs/dbraw/zinc/27/39/62/888273962.db2.gz SIMYWPLBFHFHJH-WPRPVWTQSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cnnn1)NCC(=O)N1CCC1 ZINC001382046995 888273995 /nfs/dbraw/zinc/27/39/95/888273995.db2.gz JLJYZJBBMUIKCI-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001382059777 888274149 /nfs/dbraw/zinc/27/41/49/888274149.db2.gz NJGWRXYBGBNUQH-GHMZBOCLSA-N 0 3 286.376 -1.501 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)N[C@@H](C)C(N)=O ZINC001382102773 888274643 /nfs/dbraw/zinc/27/46/43/888274643.db2.gz QVIJOYCSUWZTHV-IUCAKERBSA-N 0 3 298.347 -2.108 20 0 CAADHN CNC(=O)NCC(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC001381979490 888274714 /nfs/dbraw/zinc/27/47/14/888274714.db2.gz MUNBKDZLVSFODT-VIFPVBQESA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NCC(N)=O ZINC001382091352 888274770 /nfs/dbraw/zinc/27/47/70/888274770.db2.gz GDVAREBIRQVULS-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cnnn1)NCC(=O)N1CCC1 ZINC001382046993 888274830 /nfs/dbraw/zinc/27/48/30/888274830.db2.gz JLJYZJBBMUIKCI-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)NCC(=O)NC1CC1 ZINC001382062667 888275302 /nfs/dbraw/zinc/27/53/02/888275302.db2.gz BWZYSWXNDMRWPP-SCZZXKLOSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)nn1)N[C@H]1CCNC1=O ZINC001382077160 888275378 /nfs/dbraw/zinc/27/53/78/888275378.db2.gz WDESBCZERUPWAM-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)NCC(N)=O ZINC001382100812 888275447 /nfs/dbraw/zinc/27/54/47/888275447.db2.gz NPNBIGFCFIBNIS-JTQLQIEISA-N 0 3 299.375 -2.318 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O ZINC001382041410 888275474 /nfs/dbraw/zinc/27/54/74/888275474.db2.gz NDWZOQRPHBSPGF-ZETCQYMHSA-N 0 3 287.320 -2.246 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)Cn2ncnn2)CC1 ZINC001381982257 888275733 /nfs/dbraw/zinc/27/57/33/888275733.db2.gz DIHCZZNTZWLFSM-UHFFFAOYSA-N 0 3 295.347 -1.658 20 0 CAADHN CN(C(=O)CCn1cncn1)[C@@H](CNCC(N)=O)C1CC1 ZINC001382008218 888275883 /nfs/dbraw/zinc/27/58/83/888275883.db2.gz CCBQRPHBXJPNTB-NSHDSACASA-N 0 3 294.359 -1.020 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001382088010 888276721 /nfs/dbraw/zinc/27/67/21/888276721.db2.gz LSQHMVOSOXJAHJ-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(C(=O)C[C@H]1CCNC1=O)[C@H](CNCC(N)=O)C1CC1 ZINC001382022530 888277249 /nfs/dbraw/zinc/27/72/49/888277249.db2.gz XTPCEIZFXIIBMR-GHMZBOCLSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1ccnn1)N[C@@H]1CCNC1=O ZINC001382075911 888277319 /nfs/dbraw/zinc/27/73/19/888277319.db2.gz VDADYJRHZNGMJI-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001382064997 888277346 /nfs/dbraw/zinc/27/73/46/888277346.db2.gz HYGQUCILVKHCRC-RKDXNWHRSA-N 0 3 283.336 -1.756 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)NCC(=O)N(C)C ZINC001382044461 888277667 /nfs/dbraw/zinc/27/76/67/888277667.db2.gz ULOXPHKCDJXPKT-VIFPVBQESA-N 0 3 272.349 -1.353 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001382041390 888277823 /nfs/dbraw/zinc/27/78/23/888277823.db2.gz NDWZOQRPHBSPGF-SSDOTTSWSA-N 0 3 287.320 -2.246 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)NCC(N)=O ZINC001382128310 888279759 /nfs/dbraw/zinc/27/97/59/888279759.db2.gz BQXUKFYLRGKYDB-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)NCC(N)=O ZINC001382128335 888279886 /nfs/dbraw/zinc/27/98/86/888279886.db2.gz BQXUKFYLRGKYDB-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN COc1c(C(=O)N(C)C[C@H](C)NCC(N)=O)cnn1C ZINC001382148946 888279944 /nfs/dbraw/zinc/27/99/44/888279944.db2.gz JQDYYIVMYHGIKV-QMMMGPOBSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1cnnn1)NCC(=O)N(C)C ZINC001382135420 888280207 /nfs/dbraw/zinc/28/02/07/888280207.db2.gz DZLHTJMURKISSB-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN Cc1cc(C(=O)NC[C@H](CO)NCCn2cncn2)no1 ZINC001382173663 888283059 /nfs/dbraw/zinc/28/30/59/888283059.db2.gz LBUWIRWVENMJDL-SNVBAGLBSA-N 0 3 294.315 -1.045 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](CO)NCCn1cncn1 ZINC001382175827 888284215 /nfs/dbraw/zinc/28/42/15/888284215.db2.gz ISZKRSKHFFKMBM-LLVKDONJSA-N 0 3 298.347 -2.177 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)[C@@H]1CCCN1C ZINC001382177430 888286247 /nfs/dbraw/zinc/28/62/47/888286247.db2.gz BMANLILKLNJQFD-UWVGGRQHSA-N 0 3 272.349 -2.107 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001382175828 888286903 /nfs/dbraw/zinc/28/69/03/888286903.db2.gz ISZKRSKHFFKMBM-NSHDSACASA-N 0 3 298.347 -2.177 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1cncnc1 ZINC001382200223 888297959 /nfs/dbraw/zinc/29/79/59/888297959.db2.gz OQUKJIHKPAREAF-NSHDSACASA-N 0 3 291.315 -1.551 20 0 CAADHN O=C(NC[C@H](CO)[NH2+]CCO)c1cc(=O)[n-]c(C2CC2)n1 ZINC001382206024 888300842 /nfs/dbraw/zinc/30/08/42/888300842.db2.gz DSWWXZNWRVYZMM-SECBINFHSA-N 0 3 296.327 -1.268 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](CO)NCC(=O)N(C)C ZINC001382226833 888308469 /nfs/dbraw/zinc/30/84/69/888308469.db2.gz XKRZCDUNDMBSGH-LLVKDONJSA-N 0 3 297.359 -1.654 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@H](CO)NCC(N)=O)C1 ZINC001382243295 888314082 /nfs/dbraw/zinc/31/40/82/888314082.db2.gz FSAHGMWZSFDLKV-VHSXEESVSA-N 0 3 272.349 -2.120 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@H](CO)[NH2+]C[C@H](C)O ZINC001382240162 888314837 /nfs/dbraw/zinc/31/48/37/888314837.db2.gz QTQNKOAANRFOJZ-IONNQARKSA-N 0 3 284.316 -1.448 20 0 CAADHN Cc1nocc1CN[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001382262284 888317719 /nfs/dbraw/zinc/31/77/19/888317719.db2.gz YKMHWAYUGRVGGT-SECBINFHSA-N 0 3 280.288 -1.018 20 0 CAADHN Cc1nocc1CN[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001382262284 888317737 /nfs/dbraw/zinc/31/77/37/888317737.db2.gz YKMHWAYUGRVGGT-SECBINFHSA-N 0 3 280.288 -1.018 20 0 CAADHN CN(CC(=O)NC[C@H](CO)NCC(N)=O)CC(C)(C)C ZINC001382258766 888318299 /nfs/dbraw/zinc/31/82/99/888318299.db2.gz YHIPDJBQHCUFEA-SNVBAGLBSA-N 0 3 288.392 -1.484 20 0 CAADHN Cc1conc1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001382256317 888318542 /nfs/dbraw/zinc/31/85/42/888318542.db2.gz KHNLFPVFLLPBIW-SNVBAGLBSA-N 0 3 294.315 -1.045 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001382260874 888318633 /nfs/dbraw/zinc/31/86/33/888318633.db2.gz VIOMMTKZNDBKIT-KOLCDFICSA-N 0 3 297.359 -1.599 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001382260874 888318645 /nfs/dbraw/zinc/31/86/45/888318645.db2.gz VIOMMTKZNDBKIT-KOLCDFICSA-N 0 3 297.359 -1.599 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001382260871 888320212 /nfs/dbraw/zinc/32/02/12/888320212.db2.gz VIOMMTKZNDBKIT-GXSJLCMTSA-N 0 3 297.359 -1.599 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001382260871 888320227 /nfs/dbraw/zinc/32/02/27/888320227.db2.gz VIOMMTKZNDBKIT-GXSJLCMTSA-N 0 3 297.359 -1.599 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](CO)CNC(=O)Cn1ccnc1C ZINC001382276766 888324696 /nfs/dbraw/zinc/32/46/96/888324696.db2.gz XRCMPFDWRLEVPZ-GXSJLCMTSA-N 0 3 297.359 -1.607 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CNC(=O)NC)C1 ZINC001382289426 888328217 /nfs/dbraw/zinc/32/82/17/888328217.db2.gz DVPPPBVBJGXUGV-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)[C@H]1C ZINC001382281223 888329272 /nfs/dbraw/zinc/32/92/72/888329272.db2.gz AZZWXFYCIZQUGT-ZYHUDNBSSA-N 0 3 296.371 -1.066 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001382316234 888331601 /nfs/dbraw/zinc/33/16/01/888331601.db2.gz RCNVCHGCTMRGDA-HTQZYQBOSA-N 0 3 292.361 -2.400 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CN(C)C(=O)C1CC1 ZINC001382305352 888332064 /nfs/dbraw/zinc/33/20/64/888332064.db2.gz YVPXMSMCSKVBPW-MWLCHTKSSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCNC(N)=O ZINC001382319009 888332098 /nfs/dbraw/zinc/33/20/98/888332098.db2.gz UFYRRROKEYGDBK-JGVFFNPUSA-N 0 3 271.321 -1.891 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCNC(N)=O)C1 ZINC001382319955 888333036 /nfs/dbraw/zinc/33/30/36/888333036.db2.gz WOSYXFNHTWBXRP-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CCCN(C)CC(=O)N[C@H](CO)CNC(=O)c1ccn[nH]1 ZINC001382326492 888335383 /nfs/dbraw/zinc/33/53/83/888335383.db2.gz GKMYFKCXGMOURJ-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)C1CCOCC1)C(N)=O ZINC001382373822 888338708 /nfs/dbraw/zinc/33/87/08/888338708.db2.gz IDHVIZPLAZKFPQ-KOLCDFICSA-N 0 3 287.360 -1.304 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001382374852 888339512 /nfs/dbraw/zinc/33/95/12/888339512.db2.gz BIIFILVJGFGXRL-WCBMZHEXSA-N 0 3 288.348 -2.334 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001382374849 888339951 /nfs/dbraw/zinc/33/99/51/888339951.db2.gz BIIFILVJGFGXRL-PSASIEDQSA-N 0 3 288.348 -2.334 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNCc1cncn1C ZINC001382377639 888341987 /nfs/dbraw/zinc/34/19/87/888341987.db2.gz AFMSOKJWGVKUMP-LLVKDONJSA-N 0 3 270.333 -1.025 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001382391251 888342673 /nfs/dbraw/zinc/34/26/73/888342673.db2.gz RDQOELPMVBWGLG-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN CC1(C)CN(C(=O)CCCC(N)=O)C[C@H]1NCC(N)=O ZINC001382386836 888342729 /nfs/dbraw/zinc/34/27/29/888342729.db2.gz QOFCDNMFMCLOIW-SECBINFHSA-N 0 3 284.360 -1.046 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)Cc1ccon1 ZINC001382391754 888342839 /nfs/dbraw/zinc/34/28/39/888342839.db2.gz ZMFMUCJCFJANNW-LLVKDONJSA-N 0 3 298.343 -1.286 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001382387473 888342870 /nfs/dbraw/zinc/34/28/70/888342870.db2.gz KWRKJTLEXQLZGH-PSASIEDQSA-N 0 3 288.348 -2.253 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CCNC(N)=O)CC1(C)C)C(N)=O ZINC001382382675 888343309 /nfs/dbraw/zinc/34/33/09/888343309.db2.gz YSMDUAZNLCFDNP-DTWKUNHWSA-N 0 3 299.375 -1.255 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CCNC(N)=O)CC1(C)C)C(N)=O ZINC001382382687 888343361 /nfs/dbraw/zinc/34/33/61/888343361.db2.gz YSMDUAZNLCFDNP-RKDXNWHRSA-N 0 3 299.375 -1.255 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001382391252 888343383 /nfs/dbraw/zinc/34/33/83/888343383.db2.gz RDQOELPMVBWGLG-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN Cc1nn(C)cc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001382387167 888343464 /nfs/dbraw/zinc/34/34/64/888343464.db2.gz PBHLLRWUYYUFHG-ZJUUUORDSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001382386960 888343507 /nfs/dbraw/zinc/34/35/07/888343507.db2.gz JNFIVSPKTGRTKF-JTQLQIEISA-N 0 3 283.332 -1.480 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CNCC(=O)NC[C@H]1CCOC1 ZINC001382380045 888343716 /nfs/dbraw/zinc/34/37/16/888343716.db2.gz ZELJFEBUUJVITM-NEPJUHHUSA-N 0 3 287.360 -1.432 20 0 CAADHN Cc1ocnc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001382390524 888343752 /nfs/dbraw/zinc/34/37/52/888343752.db2.gz QHDWEQPYOLVPOV-APPZFPTMSA-N 0 3 284.316 -1.121 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)Cc1ccon1 ZINC001382391756 888343798 /nfs/dbraw/zinc/34/37/98/888343798.db2.gz ZMFMUCJCFJANNW-NSHDSACASA-N 0 3 298.343 -1.286 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001382390788 888343987 /nfs/dbraw/zinc/34/39/87/888343987.db2.gz VFBOEOLTIXMWBZ-LLVKDONJSA-N 0 3 295.343 -1.413 20 0 CAADHN Cc1nn(C)cc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001382387164 888344027 /nfs/dbraw/zinc/34/40/27/888344027.db2.gz PBHLLRWUYYUFHG-UWVGGRQHSA-N 0 3 297.359 -1.375 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)C1=CCOCC1)C(N)=O ZINC001382392808 888344260 /nfs/dbraw/zinc/34/42/60/888344260.db2.gz WZYGKWPCHDWFQS-KOLCDFICSA-N 0 3 285.344 -1.384 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CN(C)CCO1 ZINC001382378443 888344409 /nfs/dbraw/zinc/34/44/09/888344409.db2.gz BTXFVDFGIKEBQV-NXEZZACHSA-N 0 3 288.348 -2.789 20 0 CAADHN CO[C@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)NC1CC1 ZINC001382385318 888344597 /nfs/dbraw/zinc/34/45/97/888344597.db2.gz HLUZXYBCQXKJQJ-MWLCHTKSSA-N 0 3 287.360 -1.291 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001382386962 888344645 /nfs/dbraw/zinc/34/46/45/888344645.db2.gz JNFIVSPKTGRTKF-SNVBAGLBSA-N 0 3 283.332 -1.480 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001382382916 888344672 /nfs/dbraw/zinc/34/46/72/888344672.db2.gz VQAONLUBICFLTR-JTQLQIEISA-N 0 3 298.347 -1.842 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC001382386890 888344776 /nfs/dbraw/zinc/34/47/76/888344776.db2.gz JLPKCCOCDJFTLF-WDEREUQCSA-N 0 3 297.359 -1.401 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)COC1CCCC1 ZINC001382392790 888344816 /nfs/dbraw/zinc/34/48/16/888344816.db2.gz WPQCEKUHXQHGSY-JTQLQIEISA-N 0 3 287.360 -1.160 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001382378459 888344950 /nfs/dbraw/zinc/34/49/50/888344950.db2.gz BTXFVDFGIKEBQV-UWVGGRQHSA-N 0 3 288.348 -2.789 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001382381484 888345052 /nfs/dbraw/zinc/34/50/52/888345052.db2.gz RSNOVTRALWCGDV-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccc[nH]1 ZINC001382380506 888345436 /nfs/dbraw/zinc/34/54/36/888345436.db2.gz AXWNRNZGKMORSC-ZJUUUORDSA-N 0 3 280.328 -1.074 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@@](C)(O)C1CC1 ZINC001382391992 888345614 /nfs/dbraw/zinc/34/56/14/888345614.db2.gz WKCWHZIVWYOIAM-ZWNOBZJWSA-N 0 3 287.360 -1.568 20 0 CAADHN CC1(C)CN(C(=O)CCCC(N)=O)C[C@@H]1NCC(N)=O ZINC001382386841 888345866 /nfs/dbraw/zinc/34/58/66/888345866.db2.gz QOFCDNMFMCLOIW-VIFPVBQESA-N 0 3 284.360 -1.046 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1n[nH]cc1C ZINC001382407099 888346679 /nfs/dbraw/zinc/34/66/79/888346679.db2.gz AHSOBDDAHSPZSJ-NXEZZACHSA-N 0 3 297.359 -1.125 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001382394138 888346797 /nfs/dbraw/zinc/34/67/97/888346797.db2.gz BMJQUXLKYAQKGX-UWVGGRQHSA-N 0 3 297.359 -1.423 20 0 CAADHN CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001382402077 888346834 /nfs/dbraw/zinc/34/68/34/888346834.db2.gz RCZDQYXMIXFXKO-SNVBAGLBSA-N 0 3 297.359 -1.028 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1n[nH]cc1C ZINC001382407113 888346890 /nfs/dbraw/zinc/34/68/90/888346890.db2.gz AHSOBDDAHSPZSJ-ZJUUUORDSA-N 0 3 297.359 -1.125 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)CC(C)(C)O)C(N)=O ZINC001382393698 888347233 /nfs/dbraw/zinc/34/72/33/888347233.db2.gz OEUHPJLKOIEISN-IUCAKERBSA-N 0 3 275.349 -1.570 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)SC ZINC001382393752 888347413 /nfs/dbraw/zinc/34/74/13/888347413.db2.gz YSALFQGZZRXTTD-RKDXNWHRSA-N 0 3 277.390 -1.107 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1n[nH]cc1C ZINC001382407108 888347816 /nfs/dbraw/zinc/34/78/16/888347816.db2.gz AHSOBDDAHSPZSJ-VHSXEESVSA-N 0 3 297.359 -1.125 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1n[nH]cc1C ZINC001382407103 888348015 /nfs/dbraw/zinc/34/80/15/888348015.db2.gz AHSOBDDAHSPZSJ-UWVGGRQHSA-N 0 3 297.359 -1.125 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001382394140 888348108 /nfs/dbraw/zinc/34/81/08/888348108.db2.gz BMJQUXLKYAQKGX-VHSXEESVSA-N 0 3 297.359 -1.423 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001382394137 888348567 /nfs/dbraw/zinc/34/85/67/888348567.db2.gz BMJQUXLKYAQKGX-NXEZZACHSA-N 0 3 297.359 -1.423 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001382395634 888348720 /nfs/dbraw/zinc/34/87/20/888348720.db2.gz FPWUJTFVTAFCRW-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)C1(C)CC1 ZINC001382398674 888348988 /nfs/dbraw/zinc/34/89/88/888348988.db2.gz FFGYTXHRGFDPJI-QMMMGPOBSA-N 0 3 286.332 -1.610 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001382397796 888349047 /nfs/dbraw/zinc/34/90/47/888349047.db2.gz BBSPTAQAFUHVHC-ZETCQYMHSA-N 0 3 275.309 -3.190 20 0 CAADHN CC(C)C(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001382393430 888349110 /nfs/dbraw/zinc/34/91/10/888349110.db2.gz WPFMOMZNIMXXCZ-QMMMGPOBSA-N 0 3 274.321 -1.754 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001382407225 888349138 /nfs/dbraw/zinc/34/91/38/888349138.db2.gz ATUGTBNUSXSWHG-UWVGGRQHSA-N 0 3 295.343 -1.371 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cncn1C)C(N)=O ZINC001382402724 888349761 /nfs/dbraw/zinc/34/97/61/888349761.db2.gz QVQCLDWRVGBLNO-VHSXEESVSA-N 0 3 297.359 -1.294 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cncn1C)C(N)=O ZINC001382402725 888350070 /nfs/dbraw/zinc/35/00/70/888350070.db2.gz QVQCLDWRVGBLNO-ZJUUUORDSA-N 0 3 297.359 -1.294 20 0 CAADHN CCN(CC)CC(=O)N[C@H](CO)CNC(=O)c1ncc[nH]1 ZINC001382419855 888350701 /nfs/dbraw/zinc/35/07/01/888350701.db2.gz NEUKLZUECRGDIJ-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)CCn1ccnc1)C(N)=O ZINC001382415364 888350821 /nfs/dbraw/zinc/35/08/21/888350821.db2.gz VGQPPGUSOZLKHH-WDEREUQCSA-N 0 3 297.359 -1.444 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001382414895 888351014 /nfs/dbraw/zinc/35/10/14/888351014.db2.gz IEELYQAMWARTBX-HHHUOAJASA-N 0 3 299.371 -1.448 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001382424508 888351382 /nfs/dbraw/zinc/35/13/82/888351382.db2.gz HWOTVNLWGLQLEP-NXEZZACHSA-N 0 3 295.343 -1.366 20 0 CAADHN CCc1nn(C)cc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001382413904 888351527 /nfs/dbraw/zinc/35/15/27/888351527.db2.gz IPZSJHDMJNVVMN-VIFPVBQESA-N 0 3 297.359 -1.510 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cc2n(n1)CCO2 ZINC001382413974 888351842 /nfs/dbraw/zinc/35/18/42/888351842.db2.gz IWZZBRPMRLBDGN-MRVPVSSYSA-N 0 3 297.315 -2.217 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCCNC1=O)C(=O)c1cnon1 ZINC001382424273 888352243 /nfs/dbraw/zinc/35/22/43/888352243.db2.gz GXWCQJGPFBFCTK-BDAKNGLRSA-N 0 3 297.315 -1.629 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@H](O)CNCC(N)=O)c(C)n1 ZINC001382422368 888352491 /nfs/dbraw/zinc/35/24/91/888352491.db2.gz CYIOXZDMECEMQJ-SNVBAGLBSA-N 0 3 295.343 -1.399 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)CC1(O)CCC1 ZINC001382412706 888352608 /nfs/dbraw/zinc/35/26/08/888352608.db2.gz OYCBZBBSJLQOEO-GHMZBOCLSA-N 0 3 299.371 -1.411 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CNC(=O)N1 ZINC001382416767 888353102 /nfs/dbraw/zinc/35/31/02/888353102.db2.gz VCHLSSGELJWEPM-RQJHMYQMSA-N 0 3 273.293 -3.438 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1CNC(=O)N1 ZINC001382416764 888352918 /nfs/dbraw/zinc/35/29/18/888352918.db2.gz VCHLSSGELJWEPM-RNFRBKRXSA-N 0 3 273.293 -3.438 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](CO)CNC(=O)c1ncc[nH]1 ZINC001382419856 888352983 /nfs/dbraw/zinc/35/29/83/888352983.db2.gz NEUKLZUECRGDIJ-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cccnn1 ZINC001382424511 888353146 /nfs/dbraw/zinc/35/31/46/888353146.db2.gz HWOTVNLWGLQLEP-VHSXEESVSA-N 0 3 295.343 -1.366 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001382419421 888353190 /nfs/dbraw/zinc/35/31/90/888353190.db2.gz QFHIKOSDRQNVIZ-ZETCQYMHSA-N 0 3 270.293 -2.379 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)CC1(O)CCC1 ZINC001382412713 888353301 /nfs/dbraw/zinc/35/33/01/888353301.db2.gz OYCBZBBSJLQOEO-WDEREUQCSA-N 0 3 299.371 -1.411 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001382414893 888353482 /nfs/dbraw/zinc/35/34/82/888353482.db2.gz IEELYQAMWARTBX-GCHJQGSQSA-N 0 3 299.371 -1.448 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)CCn1ccnc1)C(N)=O ZINC001382415362 888353602 /nfs/dbraw/zinc/35/36/02/888353602.db2.gz VGQPPGUSOZLKHH-QWRGUYRKSA-N 0 3 297.359 -1.444 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1ccncn1 ZINC001382428953 888354770 /nfs/dbraw/zinc/35/47/70/888354770.db2.gz PKFYOEITLOGCTQ-SNVBAGLBSA-N 0 3 295.343 -1.413 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CCNC(N)=O ZINC001382438219 888354998 /nfs/dbraw/zinc/35/49/98/888354998.db2.gz OQQOAWQTNIWTLD-QMMMGPOBSA-N 0 3 289.336 -2.800 20 0 CAADHN Cc1conc1C(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001382435156 888355458 /nfs/dbraw/zinc/35/54/58/888355458.db2.gz QCDRCRWZANFPQZ-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1CC12CCOCC2 ZINC001382432735 888355599 /nfs/dbraw/zinc/35/55/99/888355599.db2.gz PQNHPNPJUGUAKR-QWRGUYRKSA-N 0 3 299.371 -1.303 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001382438203 888356156 /nfs/dbraw/zinc/35/61/56/888356156.db2.gz OQQOAWQTNIWTLD-MRVPVSSYSA-N 0 3 289.336 -2.800 20 0 CAADHN CN(C[C@H](O)C[NH2+][C@@H]1CCNC1=O)C(=O)c1nc[n-]n1 ZINC001382431807 888356433 /nfs/dbraw/zinc/35/64/33/888356433.db2.gz WASKDUADPNEATI-HTQZYQBOSA-N 0 3 282.304 -2.284 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)c1nc[nH]n1 ZINC001382431790 888357159 /nfs/dbraw/zinc/35/71/59/888357159.db2.gz VZBYDHWAMGRVJT-SECBINFHSA-N 0 3 296.331 -1.894 20 0 CAADHN CN(C[C@H](O)C[NH2+]CC(=O)NC1CC1)C(=O)c1nc[n-]n1 ZINC001382431790 888357175 /nfs/dbraw/zinc/35/71/75/888357175.db2.gz VZBYDHWAMGRVJT-SECBINFHSA-N 0 3 296.331 -1.894 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cc1ccc[nH]1)C(N)=O ZINC001382440034 888357629 /nfs/dbraw/zinc/35/76/29/888357629.db2.gz HRNOWQWGMIWJQA-ONGXEEELSA-N 0 3 282.344 -1.160 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001382430370 888357853 /nfs/dbraw/zinc/35/78/53/888357853.db2.gz ZNXVXOCKDSKKKG-VIFPVBQESA-N 0 3 283.332 -1.893 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001382440052 888358045 /nfs/dbraw/zinc/35/80/45/888358045.db2.gz HTPDZKMRDJJHBT-ZJUUUORDSA-N 0 3 297.359 -1.423 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1nonc1C ZINC001382440715 888358245 /nfs/dbraw/zinc/35/82/45/888358245.db2.gz TXOYVWMFTQOOIY-VIFPVBQESA-N 0 3 299.331 -1.463 20 0 CAADHN CCn1ncc(C(=O)N(C)C[C@H](O)CNCC(N)=O)c1C ZINC001382431805 888358332 /nfs/dbraw/zinc/35/83/32/888358332.db2.gz WASGWNTZKMRTIP-SNVBAGLBSA-N 0 3 297.359 -1.281 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cc1ccc[nH]1)C(N)=O ZINC001382440029 888358636 /nfs/dbraw/zinc/35/86/36/888358636.db2.gz HRNOWQWGMIWJQA-KOLCDFICSA-N 0 3 282.344 -1.160 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001382468842 888360759 /nfs/dbraw/zinc/36/07/59/888360759.db2.gz YJOKLBHXMUPDPY-JTQLQIEISA-N 0 3 285.348 -1.174 20 0 CAADHN C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001382466148 888362107 /nfs/dbraw/zinc/36/21/07/888362107.db2.gz VYGDPPJMKKDAQN-UWVGGRQHSA-N 0 3 298.343 -1.072 20 0 CAADHN C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001382466148 888362122 /nfs/dbraw/zinc/36/21/22/888362122.db2.gz VYGDPPJMKKDAQN-UWVGGRQHSA-N 0 3 298.343 -1.072 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001382468844 888362665 /nfs/dbraw/zinc/36/26/65/888362665.db2.gz YJOKLBHXMUPDPY-SNVBAGLBSA-N 0 3 285.348 -1.174 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)CO[C@H]1CCOC1 ZINC001382463414 888362915 /nfs/dbraw/zinc/36/29/15/888362915.db2.gz NMNKAVMVULHXNS-NEPJUHHUSA-N 0 3 290.360 -1.465 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CNCC(N)=O)C(C)(C)C ZINC001382524046 888365704 /nfs/dbraw/zinc/36/57/04/888365704.db2.gz UQIXBBBVMAGVTE-QMMMGPOBSA-N 0 3 287.364 -1.479 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001382482703 888367613 /nfs/dbraw/zinc/36/76/13/888367613.db2.gz USQCPYBZDPGSCA-JTQLQIEISA-N 0 3 270.333 -1.223 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NC(=O)c1ccn[nH]1)N(C)C ZINC001382495458 888367866 /nfs/dbraw/zinc/36/78/66/888367866.db2.gz RBBZBUSSZKSAMN-GXSJLCMTSA-N 0 3 297.359 -1.043 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001382482055 888368135 /nfs/dbraw/zinc/36/81/35/888368135.db2.gz SEKJMABMGXPUAG-VIFPVBQESA-N 0 3 272.305 -1.265 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)c1nnn(C)n1)C(C)(C)C ZINC001382518317 888368473 /nfs/dbraw/zinc/36/84/73/888368473.db2.gz IAHTVOBYAUARGB-MRVPVSSYSA-N 0 3 297.363 -1.310 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)COC)C[C@H]1O ZINC001384008271 888414726 /nfs/dbraw/zinc/41/47/26/888414726.db2.gz MNQPXZWMSVHEDS-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN COCC(=O)NC[C@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001384229556 888422566 /nfs/dbraw/zinc/42/25/66/888422566.db2.gz PTZFBKSTIVRCLK-NSHDSACASA-N 0 3 289.376 -1.092 20 0 CAADHN COCC(=O)NC[C@@H](O)CN(C)C(=O)CN(C)C(C)C ZINC001384229554 888422677 /nfs/dbraw/zinc/42/26/77/888422677.db2.gz PTZFBKSTIVRCLK-LLVKDONJSA-N 0 3 289.376 -1.092 20 0 CAADHN CC[C@H](C(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C1)N(C)C ZINC001385703412 888446502 /nfs/dbraw/zinc/44/65/02/888446502.db2.gz OKWJZVLGKVEWOT-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001386435575 888459778 /nfs/dbraw/zinc/45/97/78/888459778.db2.gz AEKJWNNMYLUODE-ZJUUUORDSA-N 0 3 299.375 -1.371 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001386435572 888459838 /nfs/dbraw/zinc/45/98/38/888459838.db2.gz AEKJWNNMYLUODE-VHSXEESVSA-N 0 3 299.375 -1.371 20 0 CAADHN CC[C@@H](C(=O)NCCN(C)C(=O)CNC(N)=O)N(C)C ZINC001387016848 888476876 /nfs/dbraw/zinc/47/68/76/888476876.db2.gz TXXPWHOZKHKRSC-VIFPVBQESA-N 0 3 287.364 -1.431 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001386993173 888477021 /nfs/dbraw/zinc/47/70/21/888477021.db2.gz CACKBLUMXOVUJO-SECBINFHSA-N 0 3 297.363 -1.214 20 0 CAADHN CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)[C@@H]1CCCN1C ZINC001387106974 888481471 /nfs/dbraw/zinc/48/14/71/888481471.db2.gz CYTKBIVILZIKDJ-VWYCJHECSA-N 0 3 296.371 -1.223 20 0 CAADHN CN(CCNC(=O)[C@H]1COC(=O)N1)C(=O)[C@H]1CCCN1C ZINC001387710960 888490589 /nfs/dbraw/zinc/49/05/89/888490589.db2.gz LRITVRXZBVYQMF-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)CNC(=O)NC)C1)N(C)C ZINC001387758836 888493806 /nfs/dbraw/zinc/49/38/06/888493806.db2.gz YGZPPZHLKDBDTI-SNVBAGLBSA-N 0 3 299.375 -1.417 20 0 CAADHN CN(C)C1(C(=O)NCCN(C)C(=O)CNC(N)=O)CCC1 ZINC001387814009 888494947 /nfs/dbraw/zinc/49/49/47/888494947.db2.gz XXWCJIBBEKFURW-UHFFFAOYSA-N 0 3 299.375 -1.286 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2COC(=O)N2)C1)N(C)C ZINC001387820125 888496085 /nfs/dbraw/zinc/49/60/85/888496085.db2.gz HJVMTNRGFXHCCR-UWVGGRQHSA-N 0 3 298.343 -1.238 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1)N(C)C ZINC001387780769 888496657 /nfs/dbraw/zinc/49/66/57/888496657.db2.gz OSQRYETXMSYQSY-WDEREUQCSA-N 0 3 296.371 -1.068 20 0 CAADHN CC(=O)NCC(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001387836368 888497690 /nfs/dbraw/zinc/49/76/90/888497690.db2.gz LMQJHDDEJGIYGE-GFCCVEGCSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001387838359 888498575 /nfs/dbraw/zinc/49/85/75/888498575.db2.gz YQWHIXUVGUSYHY-UHFFFAOYSA-N 0 3 296.371 -1.207 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCC(=O)N1)C(=O)[C@H]1CCCN1C ZINC001387943615 888502268 /nfs/dbraw/zinc/50/22/68/888502268.db2.gz DEIKCBUYWFAFOW-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCNC(=O)[C@H]1C[C@H]1C(N)=O)C(=O)CN1CCCC1 ZINC001388112539 888506581 /nfs/dbraw/zinc/50/65/81/888506581.db2.gz QMUBMEMTOUAEDT-MNOVXSKESA-N 0 3 296.371 -1.222 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001388601406 888507674 /nfs/dbraw/zinc/50/76/74/888507674.db2.gz RYSNKBKBABIBFZ-IWSPIJDZSA-N 0 3 280.332 -1.011 20 0 CAADHN CNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001388601405 888508053 /nfs/dbraw/zinc/50/80/53/888508053.db2.gz RYSNKBKBABIBFZ-HRDYMLBCSA-N 0 3 280.332 -1.011 20 0 CAADHN CC(=O)NCC(=O)NC[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001388704347 888510099 /nfs/dbraw/zinc/51/00/99/888510099.db2.gz NMJWSFYPDTWXDE-XYPYZODXSA-N 0 3 294.359 -1.064 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@H](N(CCO)CCO)C1 ZINC001388776300 888512838 /nfs/dbraw/zinc/51/28/38/888512838.db2.gz IXZKWJFBTLMLEY-NSHDSACASA-N 0 3 297.359 -1.294 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNC(=O)c1ccn[nH]1)N(C)C ZINC001389054731 888520298 /nfs/dbraw/zinc/52/02/98/888520298.db2.gz BDCHDYMUJOFSDF-MWLCHTKSSA-N 0 3 297.359 -1.043 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)CNC(C)=O)C1 ZINC001389116199 888525430 /nfs/dbraw/zinc/52/54/30/888525430.db2.gz PZRIRNRCGDRIPL-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)CNC(C)=O)C1 ZINC001389210574 888534691 /nfs/dbraw/zinc/53/46/91/888534691.db2.gz GMWGRADXKHKFOT-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001389211408 888534952 /nfs/dbraw/zinc/53/49/52/888534952.db2.gz LQHDBFQWFAYOGB-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@@H](C(=O)N[C@H](C)CNC(=O)CNC(N)=O)N(C)C ZINC001389232924 888535048 /nfs/dbraw/zinc/53/50/48/888535048.db2.gz QHNCCJZOEDEIKV-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC001389212825 888535361 /nfs/dbraw/zinc/53/53/61/888535361.db2.gz SQJMJYOCWVROMI-UHFFFAOYSA-N 0 3 295.347 -1.658 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)c2nnn(C)n2)C1 ZINC001389216977 888535394 /nfs/dbraw/zinc/53/53/94/888535394.db2.gz BNOAXJLDIQFCBL-UHFFFAOYSA-N 0 3 295.347 -1.508 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)CNC(=O)NC)C1)N(C)C ZINC001389236744 888535827 /nfs/dbraw/zinc/53/58/27/888535827.db2.gz UXYXAWXEGUGXPE-JTQLQIEISA-N 0 3 299.375 -1.417 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](C)NC(=O)Cn1cnnn1 ZINC001389292791 888537615 /nfs/dbraw/zinc/53/76/15/888537615.db2.gz CUWQWYFYBDVXPC-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)NCC(=O)N1CC(NC(=O)CN(C)C(C)C)C1 ZINC001389250025 888538457 /nfs/dbraw/zinc/53/84/57/888538457.db2.gz OFVADLOPFBLRFK-UHFFFAOYSA-N 0 3 299.375 -1.417 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC001389247151 888538935 /nfs/dbraw/zinc/53/89/35/888538935.db2.gz ZVECQHUXOHQICY-UHFFFAOYSA-N 0 3 295.347 -1.660 20 0 CAADHN C[C@H](CNC(=O)CS(=O)(=O)N(C)C)N[C@H](C)C(N)=O ZINC001390521840 888586320 /nfs/dbraw/zinc/58/63/20/888586320.db2.gz JKWXOENUZSAGLM-HTQZYQBOSA-N 0 3 294.377 -2.154 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](NC(=O)CNC(C)=O)C1 ZINC001389355886 888540796 /nfs/dbraw/zinc/54/07/96/888540796.db2.gz GOMVPYFNTDPUDG-NEPJUHHUSA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001389354440 888542145 /nfs/dbraw/zinc/54/21/45/888542145.db2.gz DAQWXBBIZVXWKA-QJPTWQEYSA-N 0 3 299.371 -1.147 20 0 CAADHN CCN1CCN(CCNC(=O)CS(=O)(=O)NC)CC1 ZINC001389434007 888544579 /nfs/dbraw/zinc/54/45/79/888544579.db2.gz GTBBDAKNFMHUKP-UHFFFAOYSA-N 0 3 292.405 -1.711 20 0 CAADHN COCCN1CCN(CCNC(=O)c2nnc[nH]2)CC1 ZINC001389433684 888545070 /nfs/dbraw/zinc/54/50/70/888545070.db2.gz CDOXIIJSEVDLNY-UHFFFAOYSA-N 0 3 282.348 -1.202 20 0 CAADHN CCCN1CCN(CCNC(=O)Cn2cnnn2)CC1 ZINC001389402439 888546110 /nfs/dbraw/zinc/54/61/10/888546110.db2.gz DMHDMTDQLNIURW-UHFFFAOYSA-N 0 3 281.364 -1.183 20 0 CAADHN CC(C)N(C)CC(=O)NCCN1CCN(CC(N)=O)CC1 ZINC001389439634 888547030 /nfs/dbraw/zinc/54/70/30/888547030.db2.gz RPXPWCCPNAGDLY-UHFFFAOYSA-N 0 3 299.419 -1.454 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H]1CCN(C[C@H](C)O)C1 ZINC001389454140 888548953 /nfs/dbraw/zinc/54/89/53/888548953.db2.gz LUWDHMRGBGRPIW-UWVGGRQHSA-N 0 3 293.389 -1.503 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)CN(C)C(C)=O)C1 ZINC001389466231 888549405 /nfs/dbraw/zinc/54/94/05/888549405.db2.gz ZGDCKOAZIMQGTL-NEPJUHHUSA-N 0 3 287.360 -1.338 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001389452446 888549658 /nfs/dbraw/zinc/54/96/58/888549658.db2.gz DUHXZMOSQJQSCE-MNOVXSKESA-N 0 3 296.371 -1.223 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)CNC(C)=O)C1)N(C)C ZINC001389473242 888551166 /nfs/dbraw/zinc/55/11/66/888551166.db2.gz NMBDKAAJYZFBLA-NSHDSACASA-N 0 3 284.360 -1.210 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](N[C@H](C)C(N)=O)C1CC1 ZINC001389568075 888554069 /nfs/dbraw/zinc/55/40/69/888554069.db2.gz FIYFKCBZXWVQCQ-KCJUWKMLSA-N 0 3 284.360 -1.177 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CCn1cncn1)C1CC1 ZINC001389548115 888554369 /nfs/dbraw/zinc/55/43/69/888554369.db2.gz FLFYXYBMSYDRGC-SNVBAGLBSA-N 0 3 280.332 -1.362 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CCn1cncn1)C1CC1 ZINC001389548111 888554563 /nfs/dbraw/zinc/55/45/63/888554563.db2.gz FLFYXYBMSYDRGC-JTQLQIEISA-N 0 3 280.332 -1.362 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001389688032 888557598 /nfs/dbraw/zinc/55/75/98/888557598.db2.gz LMIFNXRVTBXTTP-NEPJUHHUSA-N 0 3 298.387 -1.323 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C1CC1 ZINC001389653355 888558189 /nfs/dbraw/zinc/55/81/89/888558189.db2.gz XDKOYZPYYKPBTF-QWRGUYRKSA-N 0 3 296.371 -1.128 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CCn1ccnn1)C1CC1 ZINC001389595033 888558547 /nfs/dbraw/zinc/55/85/47/888558547.db2.gz UJOUXYFXYBHUFD-LLVKDONJSA-N 0 3 294.359 -1.101 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC2CC2)C1 ZINC001389759558 888560338 /nfs/dbraw/zinc/56/03/38/888560338.db2.gz DKNCJSZBOLSEBS-SKDRFNHKSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)NC)C1 ZINC001389771447 888560477 /nfs/dbraw/zinc/56/04/77/888560477.db2.gz MARPKZHTHCWPAQ-QMMMGPOBSA-N 0 3 271.321 -2.148 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001389781109 888560695 /nfs/dbraw/zinc/56/06/95/888560695.db2.gz VGQZYOFQXIMPQF-JGVFFNPUSA-N 0 3 270.289 -1.969 20 0 CAADHN CO[C@@H](C)C(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001389773266 888560968 /nfs/dbraw/zinc/56/09/68/888560968.db2.gz JCIWWEGXVJEFHW-VGMNWLOBSA-N 0 3 286.332 -1.205 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001389793094 888561295 /nfs/dbraw/zinc/56/12/95/888561295.db2.gz YLENAJZFXAPAAG-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001389775618 888561603 /nfs/dbraw/zinc/56/16/03/888561603.db2.gz SLLMZZMIDZPDFU-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001389796484 888561750 /nfs/dbraw/zinc/56/17/50/888561750.db2.gz FSMVCZOWRYRBRY-BFVZDQMLSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001389796489 888561766 /nfs/dbraw/zinc/56/17/66/888561766.db2.gz FSMVCZOWRYRBRY-BHDSKKPTSA-N 0 3 296.371 -1.020 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001389816042 888563429 /nfs/dbraw/zinc/56/34/29/888563429.db2.gz NBRJPAGYWOHQHU-DTWKUNHWSA-N 0 3 283.332 -1.876 20 0 CAADHN CNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001389986757 888565986 /nfs/dbraw/zinc/56/59/86/888565986.db2.gz VESFWPIXOHULBU-OCAPTIKFSA-N 0 3 279.300 -1.221 20 0 CAADHN NC(=O)CN1CCC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001390057078 888570126 /nfs/dbraw/zinc/57/01/26/888570126.db2.gz DMCHVJOIRYLOEW-SECBINFHSA-N 0 3 280.332 -1.339 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001390298420 888572549 /nfs/dbraw/zinc/57/25/49/888572549.db2.gz SHAAYKXSKLWAIY-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CCNC(=O)CCC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001390303485 888572243 /nfs/dbraw/zinc/57/22/43/888572243.db2.gz GIBDORQJVMZQEM-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CS(=O)(=O)CC(=O)N1CCCC[C@H]1CNCC(N)=O ZINC001390143444 888573020 /nfs/dbraw/zinc/57/30/20/888573020.db2.gz JUGLPRUPDIMGOG-VIFPVBQESA-N 0 3 291.373 -1.513 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ccon1 ZINC001390308459 888573134 /nfs/dbraw/zinc/57/31/34/888573134.db2.gz WOAFCLDYANWLHL-SSDOTTSWSA-N 0 3 283.288 -1.162 20 0 CAADHN CCNC(=O)CCC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001390303488 888573256 /nfs/dbraw/zinc/57/32/56/888573256.db2.gz GIBDORQJVMZQEM-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](NC[C@@H]1CCCCN1C(=O)c1nnn(C)n1)C(N)=O ZINC001390146295 888573570 /nfs/dbraw/zinc/57/35/70/888573570.db2.gz PIVDSPHIEMITIO-BDAKNGLRSA-N 0 3 295.347 -1.332 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](C)NCC(=O)N1CCOCC1 ZINC001390285640 888574269 /nfs/dbraw/zinc/57/42/69/888574269.db2.gz DKPZZQZVUYWLQP-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1COCCO1 ZINC001390281117 888574301 /nfs/dbraw/zinc/57/43/01/888574301.db2.gz DOHJKAVJPUOWCT-NXEZZACHSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@@H](NC[C@H]1CCCCN1C(=O)c1nnn(C)n1)C(N)=O ZINC001390146316 888574649 /nfs/dbraw/zinc/57/46/49/888574649.db2.gz PIVDSPHIEMITIO-RKDXNWHRSA-N 0 3 295.347 -1.332 20 0 CAADHN CC(=O)NC[C@H](C)NCC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001390271979 888574874 /nfs/dbraw/zinc/57/48/74/888574874.db2.gz DAJLNTKYNXHQTC-GXSJLCMTSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001390293768 888575072 /nfs/dbraw/zinc/57/50/72/888575072.db2.gz LRKYQRMSZGRHCH-WCBMZHEXSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN(C)C(=O)C1CC1 ZINC001390397576 888575932 /nfs/dbraw/zinc/57/59/32/888575932.db2.gz GPSCGARLBSIBLC-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001390331545 888576046 /nfs/dbraw/zinc/57/60/46/888576046.db2.gz UCCHQBAKVGWIEP-UWVGGRQHSA-N 0 3 272.349 -1.843 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C1CC1)N[C@@H]1CCN(C)C1=O ZINC001390333961 888576201 /nfs/dbraw/zinc/57/62/01/888576201.db2.gz YYQMWPZZWQFCFD-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CNC(=O)c1cncnc1)NCC(=O)NC(N)=O ZINC001390344750 888576326 /nfs/dbraw/zinc/57/63/26/888576326.db2.gz IUPNCUWSDSWWPZ-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1N)NCC(=O)NC1CC1 ZINC001390340408 888576428 /nfs/dbraw/zinc/57/64/28/888576428.db2.gz CCWNZEWLUXWHSC-QMMMGPOBSA-N 0 3 294.359 -1.011 20 0 CAADHN CCNC(=O)CCC(=O)NC[C@@H](C)N[C@H](C)C(N)=O ZINC001390312189 888576560 /nfs/dbraw/zinc/57/65/60/888576560.db2.gz OLIRKSYBCVNHGU-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)co1 ZINC001390344251 888576887 /nfs/dbraw/zinc/57/68/87/888576887.db2.gz NELAUCCLCRFESD-ZCFIWIBFSA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)c1ccncc1)NCC(N)=O ZINC001390370814 888577039 /nfs/dbraw/zinc/57/70/39/888577039.db2.gz OCOAWFMQNNBOOU-VIFPVBQESA-N 0 3 293.327 -1.609 20 0 CAADHN CCn1cc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)cn1 ZINC001390342042 888577263 /nfs/dbraw/zinc/57/72/63/888577263.db2.gz NWCPXSFKRVRBPD-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001390373775 888577420 /nfs/dbraw/zinc/57/74/20/888577420.db2.gz VGQGTRRAFDKIND-RKDXNWHRSA-N 0 3 285.348 -1.712 20 0 CAADHN CCn1nccc1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001390342997 888577532 /nfs/dbraw/zinc/57/75/32/888577532.db2.gz LWPTWZQBIJCBQB-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cnc(N(C)C)cn1 ZINC001390390419 888577625 /nfs/dbraw/zinc/57/76/25/888577625.db2.gz VGYVRXAJWFLUOO-SECBINFHSA-N 0 3 294.359 -1.004 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@H](C)NCC(N)=O ZINC001390384304 888577733 /nfs/dbraw/zinc/57/77/33/888577733.db2.gz RUVPUMDYGFYEGG-ZETCQYMHSA-N 0 3 280.350 -2.495 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001390373768 888577926 /nfs/dbraw/zinc/57/79/26/888577926.db2.gz VGQGTRRAFDKIND-IUCAKERBSA-N 0 3 285.348 -1.712 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)NCC(=O)NC1CC1 ZINC001390332099 888577976 /nfs/dbraw/zinc/57/79/76/888577976.db2.gz VNRGTOQXXKMDLC-JQWIXIFHSA-N 0 3 298.387 -1.310 20 0 CAADHN CCn1nccc1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001390342999 888578122 /nfs/dbraw/zinc/57/81/22/888578122.db2.gz LWPTWZQBIJCBQB-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN CCNC(=O)CCC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001390312182 888578359 /nfs/dbraw/zinc/57/83/59/888578359.db2.gz OLIRKSYBCVNHGU-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)NCC(=O)N1CCC1 ZINC001390342374 888578399 /nfs/dbraw/zinc/57/83/99/888578399.db2.gz OEPJACBGXUFCLP-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001390311397 888578446 /nfs/dbraw/zinc/57/84/46/888578446.db2.gz ZPHXXMUSWREAFR-MRVPVSSYSA-N 0 3 286.332 -1.285 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001390329490 888578693 /nfs/dbraw/zinc/57/86/93/888578693.db2.gz QTJDTNFZEHGHPY-LURJTMIESA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@H](CNC(=O)CCc1ccon1)NCC(=O)NC(N)=O ZINC001390436362 888580222 /nfs/dbraw/zinc/58/02/22/888580222.db2.gz KILFGCFLRMZLOR-MRVPVSSYSA-N 0 3 297.315 -1.104 20 0 CAADHN C[C@H](CNC(=O)c1ccc2nnnn2c1)NCC(N)=O ZINC001390440399 888580358 /nfs/dbraw/zinc/58/03/58/888580358.db2.gz UIGLNJLUGLWSCI-SSDOTTSWSA-N 0 3 277.288 -1.683 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cn(C)ccc1=O ZINC001390432097 888581156 /nfs/dbraw/zinc/58/11/56/888581156.db2.gz NSZFHNOCHIUGBK-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001390454029 888581527 /nfs/dbraw/zinc/58/15/27/888581527.db2.gz KELVCYHSLSFWNA-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001390454785 888581559 /nfs/dbraw/zinc/58/15/59/888581559.db2.gz NDODIYHQEUNBQN-BDAKNGLRSA-N 0 3 297.363 -1.167 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001390454788 888581796 /nfs/dbraw/zinc/58/17/96/888581796.db2.gz NDODIYHQEUNBQN-DTWKUNHWSA-N 0 3 297.363 -1.167 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001390454031 888582104 /nfs/dbraw/zinc/58/21/04/888582104.db2.gz KELVCYHSLSFWNA-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CN1CCCCC1=O)C(N)=O ZINC001390438038 888582582 /nfs/dbraw/zinc/58/25/82/888582582.db2.gz SRAZWBRYBNIEHI-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cnco1)C(=O)NC(N)=O ZINC001390451680 888582644 /nfs/dbraw/zinc/58/26/44/888582644.db2.gz AWKVVCZTYSTQHG-NKWVEPMBSA-N 0 3 283.288 -1.034 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001390428986 888582785 /nfs/dbraw/zinc/58/27/85/888582785.db2.gz BQEUUDHKCZQUDY-QMMMGPOBSA-N 0 3 296.327 -1.163 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(=O)N1CCC1 ZINC001390449060 888583101 /nfs/dbraw/zinc/58/31/01/888583101.db2.gz ABHACSVTVCVRSZ-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCCC1=O)N[C@@H](C)C(N)=O ZINC001390438036 888583203 /nfs/dbraw/zinc/58/32/03/888583203.db2.gz SRAZWBRYBNIEHI-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CNC(=O)c1cccn(C)c1=O)N[C@H](C)C(N)=O ZINC001390517976 888584034 /nfs/dbraw/zinc/58/40/34/888584034.db2.gz UVZJAFOZMMSGPD-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@H](CNC(=O)c1cccn(C)c1=O)N[C@@H](C)C(N)=O ZINC001390517963 888584130 /nfs/dbraw/zinc/58/41/30/888584130.db2.gz UVZJAFOZMMSGPD-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N1CCCC1 ZINC001390471352 888584219 /nfs/dbraw/zinc/58/42/19/888584219.db2.gz ABJRCYZXZBHYOC-AXFHLTTASA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001390466558 888584280 /nfs/dbraw/zinc/58/42/80/888584280.db2.gz JFOWVPUFYFQESC-JGVFFNPUSA-N 0 3 283.332 -1.032 20 0 CAADHN C[C@H](CNC(=O)c1cnc2cccnn21)NCC(N)=O ZINC001390473082 888584293 /nfs/dbraw/zinc/58/42/93/888584293.db2.gz FMYZKHCJGXUIMD-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N1CCC1 ZINC001390463371 888584371 /nfs/dbraw/zinc/58/43/71/888584371.db2.gz IRNJYMZNDNVKMR-DTWKUNHWSA-N 0 3 283.332 -2.006 20 0 CAADHN C[C@H](CNC(=O)Cc1nc2ncccn2n1)NCC(N)=O ZINC001390518732 888584434 /nfs/dbraw/zinc/58/44/34/888584434.db2.gz HNBHZPIWPQVCKD-MRVPVSSYSA-N 0 3 291.315 -1.754 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)N(C)C ZINC001390467076 888584451 /nfs/dbraw/zinc/58/44/51/888584451.db2.gz PIPCXYMLEYNKQZ-SFYZADRCSA-N 0 3 271.321 -2.150 20 0 CAADHN CCn1nc(C(=O)NC[C@H](C)NCC(=O)NC)ccc1=O ZINC001390486378 888584550 /nfs/dbraw/zinc/58/45/50/888584550.db2.gz DGVRLTFQCRFXRY-VIFPVBQESA-N 0 3 295.343 -1.283 20 0 CAADHN C[C@@H](CNC(=O)c1cnon1)NCCS(C)(=O)=O ZINC001390487385 888585106 /nfs/dbraw/zinc/58/51/06/888585106.db2.gz HDMGEXZVVNFCLD-ZETCQYMHSA-N 0 3 276.318 -1.178 20 0 CAADHN C[C@@H](CNC(=O)c1cnc2cccnn21)NCC(N)=O ZINC001390473134 888585604 /nfs/dbraw/zinc/58/56/04/888585604.db2.gz FMYZKHCJGXUIMD-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN C[C@H](CNC(=O)c1cccc(=O)n1C)N[C@H](C)C(N)=O ZINC001390478789 888585923 /nfs/dbraw/zinc/58/59/23/888585923.db2.gz KLKYDCMIACBDLN-RKDXNWHRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C)C(N)=O ZINC001390521936 888585770 /nfs/dbraw/zinc/58/57/70/888585770.db2.gz JKWXOENUZSAGLM-JGVFFNPUSA-N 0 3 294.377 -2.154 20 0 CAADHN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)NCC(N)=O)C1 ZINC001390504605 888585797 /nfs/dbraw/zinc/58/57/97/888585797.db2.gz FSJMCRUPRDNTCT-TVQRCGJNSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N(C)C ZINC001390467074 888586143 /nfs/dbraw/zinc/58/61/43/888586143.db2.gz PIPCXYMLEYNKQZ-JGVFFNPUSA-N 0 3 271.321 -2.150 20 0 CAADHN C[C@@H](CNC(=O)[C@]1(C)CCOC1)NCC(=O)NC(N)=O ZINC001390493189 888586397 /nfs/dbraw/zinc/58/63/97/888586397.db2.gz IDJAUCYMTXPOMU-QPUJVOFHSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)NCC(N)=O)C1 ZINC001390504598 888586468 /nfs/dbraw/zinc/58/64/68/888586468.db2.gz FSJMCRUPRDNTCT-RNCFNFMXSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001390518139 888586510 /nfs/dbraw/zinc/58/65/10/888586510.db2.gz VBUAHDPILDBNEV-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@H](CNC(=O)[C@@]1(C)CCOC1)NCC(=O)NC(N)=O ZINC001390493185 888586538 /nfs/dbraw/zinc/58/65/38/888586538.db2.gz IDJAUCYMTXPOMU-PELKAZGASA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cccc(=O)n1C)C(N)=O ZINC001390478775 888586551 /nfs/dbraw/zinc/58/65/51/888586551.db2.gz KLKYDCMIACBDLN-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN CC(C)c1nnnn1CC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001390470029 888586593 /nfs/dbraw/zinc/58/65/93/888586593.db2.gz AALPWBLAZXIGJI-BDAKNGLRSA-N 0 3 297.363 -1.235 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NCCS(C)(=O)=O ZINC001390519909 888586745 /nfs/dbraw/zinc/58/67/45/888586745.db2.gz YAZVTUVOKBWWRL-BDAKNGLRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NCCS(C)(=O)=O ZINC001390519912 888587016 /nfs/dbraw/zinc/58/70/16/888587016.db2.gz YAZVTUVOKBWWRL-IUCAKERBSA-N 0 3 291.373 -1.596 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CC[C@H](NCC(=O)NC)C2)C1 ZINC001390577826 888587926 /nfs/dbraw/zinc/58/79/26/888587926.db2.gz VFOUCIXTGYEOCP-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)CNC(=O)NC)C1)C(N)=O ZINC001390557095 888588261 /nfs/dbraw/zinc/58/82/61/888588261.db2.gz MNETXPSFXKJHLP-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001390589184 888588542 /nfs/dbraw/zinc/58/85/42/888588542.db2.gz QFPQMUZTWOLCCK-SECBINFHSA-N 0 3 280.332 -1.055 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)CNC(=O)NC)C1)C(N)=O ZINC001390557096 888588579 /nfs/dbraw/zinc/58/85/79/888588579.db2.gz MNETXPSFXKJHLP-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001390557994 888588711 /nfs/dbraw/zinc/58/87/11/888588711.db2.gz NXBMXDDQQRCASM-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001390566508 888589064 /nfs/dbraw/zinc/58/90/64/888589064.db2.gz PUQSNJZVZXYTNZ-QMMMGPOBSA-N 0 3 292.299 -1.524 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001390551508 888589674 /nfs/dbraw/zinc/58/96/74/888589674.db2.gz DIJNHLCZOVKRBR-IUCAKERBSA-N 0 3 284.316 -1.579 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cnns2)C1 ZINC001390555897 888589732 /nfs/dbraw/zinc/58/97/32/888589732.db2.gz YIQQYQFSSIXBFC-LURJTMIESA-N 0 3 298.328 -1.463 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001390560526 888589794 /nfs/dbraw/zinc/58/97/94/888589794.db2.gz GWNJAOMMABJEPQ-UWVGGRQHSA-N 0 3 297.359 -1.711 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001390557996 888589813 /nfs/dbraw/zinc/58/98/13/888589813.db2.gz NXBMXDDQQRCASM-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CCNC(N)=O)C(N)=O ZINC001390530096 888589840 /nfs/dbraw/zinc/58/98/40/888589840.db2.gz QMXKEZCKVYKWMY-HTQZYQBOSA-N 0 3 273.337 -1.597 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001390590166 888589860 /nfs/dbraw/zinc/58/98/60/888589860.db2.gz RVZLIJUPUVMMKY-SECBINFHSA-N 0 3 280.332 -1.055 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)nc2OC)C1 ZINC001390559922 888589891 /nfs/dbraw/zinc/58/98/91/888589891.db2.gz BYFZDDROGLINSD-VIFPVBQESA-N 0 3 295.343 -1.021 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1nccnc1C(N)=O ZINC001390533971 888589989 /nfs/dbraw/zinc/58/99/89/888589989.db2.gz YJDSMXFFCBCMDG-SSDOTTSWSA-N 0 3 294.315 -1.971 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001390560527 888590030 /nfs/dbraw/zinc/59/00/30/888590030.db2.gz GWNJAOMMABJEPQ-VHSXEESVSA-N 0 3 297.359 -1.711 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001390567864 888590105 /nfs/dbraw/zinc/59/01/05/888590105.db2.gz JZWOMBYDRXMXPZ-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001390549621 888590332 /nfs/dbraw/zinc/59/03/32/888590332.db2.gz SHPJZYNCJIZXPF-WDEREUQCSA-N 0 3 284.360 -1.747 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001390589186 888590376 /nfs/dbraw/zinc/59/03/76/888590376.db2.gz QFPQMUZTWOLCCK-VIFPVBQESA-N 0 3 280.332 -1.055 20 0 CAADHN NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCc2nnc[n-]2)C1 ZINC001390583884 888590462 /nfs/dbraw/zinc/59/04/62/888590462.db2.gz NHQKBDXKYYCVJT-VIFPVBQESA-N 0 3 280.332 -1.339 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)CCNC(=O)CCc1nnc[n-]1 ZINC001390656661 888592152 /nfs/dbraw/zinc/59/21/52/888592152.db2.gz VPRCKNWGEVTEIN-VIFPVBQESA-N 0 3 282.348 -1.032 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1ncn(C)n1 ZINC001390760513 888595950 /nfs/dbraw/zinc/59/59/50/888595950.db2.gz UXPPECATWJNVJZ-VIFPVBQESA-N 0 3 271.321 -1.516 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001390818984 888599434 /nfs/dbraw/zinc/59/94/34/888599434.db2.gz NWTUDVJOBCKMLB-VIFPVBQESA-N 0 3 298.343 -1.218 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCN(C)C[C@H](C)O ZINC001390763371 888599795 /nfs/dbraw/zinc/59/97/95/888599795.db2.gz XUXJCXWUDBOSOX-VIFPVBQESA-N 0 3 281.378 -1.646 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001390818979 888602086 /nfs/dbraw/zinc/60/20/86/888602086.db2.gz NWTUDVJOBCKMLB-SECBINFHSA-N 0 3 298.343 -1.218 20 0 CAADHN Cc1nn(CC(=O)NCCN(C)C[C@@H](C)O)c(=O)n1C ZINC001390854076 888605341 /nfs/dbraw/zinc/60/53/41/888605341.db2.gz VWMXSSDOCDTQJB-SECBINFHSA-N 0 3 285.348 -1.681 20 0 CAADHN CC(C)N(C)CC(=O)NCCN(C)CC(=O)NC(N)=O ZINC001390860745 888607310 /nfs/dbraw/zinc/60/73/10/888607310.db2.gz CWYSGJPJMUHSLI-UHFFFAOYSA-N 0 3 287.364 -1.431 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)Cc1nonc1C ZINC001390836826 888607117 /nfs/dbraw/zinc/60/71/17/888607117.db2.gz IOLJVDSDWXLJSS-JTQLQIEISA-N 0 3 286.332 -1.024 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H]1CCCN1C[C@H](C)O ZINC001391076849 888610350 /nfs/dbraw/zinc/61/03/50/888610350.db2.gz UISUCOPNIUOXQO-UWVGGRQHSA-N 0 3 293.389 -1.503 20 0 CAADHN CCN(CCNC(=O)[C@@H]1CCC(=O)N1)C[C@@H](O)COC ZINC001391007019 888611643 /nfs/dbraw/zinc/61/16/43/888611643.db2.gz KIXWEHNVAMZOSV-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H]1CNC(=O)Cn1cnnn1 ZINC001391035040 888611661 /nfs/dbraw/zinc/61/16/61/888611661.db2.gz WNLIFQOFFUEDQV-QWRGUYRKSA-N 0 3 298.347 -1.739 20 0 CAADHN C[C@H](C(N)=O)N1CCC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001391067155 888611794 /nfs/dbraw/zinc/61/17/94/888611794.db2.gz IOGXZXJJXJJMAE-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN Cn1cnn(CCC(=O)NC[C@H]2CCCN2CCO)c1=O ZINC001391052935 888611810 /nfs/dbraw/zinc/61/18/10/888611810.db2.gz SPHOIRRYCUFTSG-LLVKDONJSA-N 0 3 297.359 -1.455 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@@H]1CCC(=O)NC1)C(N)=O ZINC001391204118 888615777 /nfs/dbraw/zinc/61/57/77/888615777.db2.gz WFKMPHPKPPZQKG-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)C[C@H]1CCC(=O)NC1 ZINC001391199848 888614690 /nfs/dbraw/zinc/61/46/90/888614690.db2.gz HHRYYONPFCGZGS-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@H](C)C(=O)NC1CC1 ZINC001391202016 888615182 /nfs/dbraw/zinc/61/51/82/888615182.db2.gz RLGYXFFDXKNSJV-SECBINFHSA-N 0 3 284.360 -1.162 20 0 CAADHN Cn1cnn(CC(=O)NCCN(CCCO)C2CC2)c1=O ZINC001391169482 888615945 /nfs/dbraw/zinc/61/59/45/888615945.db2.gz DJJVLPYSPPMRNE-UHFFFAOYSA-N 0 3 297.359 -1.455 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@H]1CCC(=O)NC1)C(N)=O ZINC001391204111 888616331 /nfs/dbraw/zinc/61/63/31/888616331.db2.gz WFKMPHPKPPZQKG-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@H]1CCC(=O)NC1)C(N)=O ZINC001391204119 888616817 /nfs/dbraw/zinc/61/68/17/888616817.db2.gz WFKMPHPKPPZQKG-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CN1CCCC1=O ZINC001391203392 888617170 /nfs/dbraw/zinc/61/71/70/888617170.db2.gz AFMVLYWKJUYNMW-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@H]1CCN(C)C1=O)C(N)=O ZINC001391203068 888617214 /nfs/dbraw/zinc/61/72/14/888617214.db2.gz AAMZXPPTKDQION-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@@H]1CCN(C)C1=O)C(N)=O ZINC001391203069 888617271 /nfs/dbraw/zinc/61/72/71/888617271.db2.gz AAMZXPPTKDQION-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCn1nc(C(=O)N(C)CCN[C@H](C)C(N)=O)ccc1=O ZINC001391218041 888618410 /nfs/dbraw/zinc/61/84/10/888618410.db2.gz WCJLZJBGQQAACM-SECBINFHSA-N 0 3 295.343 -1.201 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001391224161 888618632 /nfs/dbraw/zinc/61/86/32/888618632.db2.gz FBFXOMUEQAUTBX-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN COC[C@@H](OC)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001391220292 888618659 /nfs/dbraw/zinc/61/86/59/888618659.db2.gz QVVYRTBIXVYUJX-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN CC[C@H](NCCN(C)C(=O)C[C@H](C)NC(N)=O)C(N)=O ZINC001391210614 888619485 /nfs/dbraw/zinc/61/94/85/888619485.db2.gz QNVDKMOXWPPUBL-IUCAKERBSA-N 0 3 287.364 -1.255 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001391208665 888619698 /nfs/dbraw/zinc/61/96/98/888619698.db2.gz ARBJNMFXVWQMFQ-HZMBPMFUSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)Cn1ncn(C)c1=O ZINC001391207257 888620018 /nfs/dbraw/zinc/62/00/18/888620018.db2.gz KURKCHJWVABAOA-SECBINFHSA-N 0 3 296.331 -2.482 20 0 CAADHN CNC(=O)CCCC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001391206949 888620046 /nfs/dbraw/zinc/62/00/46/888620046.db2.gz DKVSUAAFJUMDJG-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN1CCOCC1=O)C(N)=O ZINC001391209103 888620202 /nfs/dbraw/zinc/62/02/02/888620202.db2.gz NKKSVSHVFCJLJR-SECBINFHSA-N 0 3 286.332 -2.233 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1CCNC(=O)C1)C(N)=O ZINC001391205240 888620527 /nfs/dbraw/zinc/62/05/27/888620527.db2.gz AWFMIWHKNVGOSI-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001391208860 888620856 /nfs/dbraw/zinc/62/08/56/888620856.db2.gz NNOHYBDMOXRSLI-VIFPVBQESA-N 0 3 284.360 -1.353 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CNC(=O)C1CC1 ZINC001391207825 888620585 /nfs/dbraw/zinc/62/05/85/888620585.db2.gz IWGUVIPGNPIUPA-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CN1CCCC1=O)C(N)=O ZINC001391217517 888620672 /nfs/dbraw/zinc/62/06/72/888620672.db2.gz VTMNMDXHDZBTES-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001391224157 888620919 /nfs/dbraw/zinc/62/09/19/888620919.db2.gz DZXSEFYPEGTFBZ-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@]1(C)CCC(=O)N1 ZINC001391208681 888620984 /nfs/dbraw/zinc/62/09/84/888620984.db2.gz ARBJNMFXVWQMFQ-YGRLFVJLSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001391317453 888621185 /nfs/dbraw/zinc/62/11/85/888621185.db2.gz OWFSNNVBJQVZIZ-VHSXEESVSA-N 0 3 297.359 -1.758 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)c1nccnc1N ZINC001391213562 888621354 /nfs/dbraw/zinc/62/13/54/888621354.db2.gz NIJDGSQXEQDVIK-VIFPVBQESA-N 0 3 292.343 -1.001 20 0 CAADHN COC[C@H](OC)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001391220293 888621645 /nfs/dbraw/zinc/62/16/45/888621645.db2.gz QVVYRTBIXVYUJX-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O)n1 ZINC001391210677 888621627 /nfs/dbraw/zinc/62/16/27/888621627.db2.gz FUJWLWMKYNRVPX-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001391317461 888624199 /nfs/dbraw/zinc/62/41/99/888624199.db2.gz OWFSNNVBJQVZIZ-ZJUUUORDSA-N 0 3 297.359 -1.758 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC001391356642 888624225 /nfs/dbraw/zinc/62/42/25/888624225.db2.gz IKLZMICJHOUZCR-SNVBAGLBSA-N 0 3 298.343 -1.250 20 0 CAADHN C[C@@H](O)CCCN1CC(CNC(=O)Cn2cnnn2)C1 ZINC001391467419 888631015 /nfs/dbraw/zinc/63/10/15/888631015.db2.gz PIMPWDBTHCVBOG-SNVBAGLBSA-N 0 3 282.348 -1.118 20 0 CAADHN CNS(=O)(=O)CC(=O)NCC1CN([C@H](C)COC)C1 ZINC001391525148 888635053 /nfs/dbraw/zinc/63/50/53/888635053.db2.gz ZMMUJCRCQXXGSM-SECBINFHSA-N 0 3 293.389 -1.382 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1 ZINC001391559903 888635442 /nfs/dbraw/zinc/63/54/42/888635442.db2.gz AAVBQNNJIQJTAC-DCAQKATOSA-N 0 3 287.360 -1.304 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001391510643 888635722 /nfs/dbraw/zinc/63/57/22/888635722.db2.gz MWJYSJYDOBFIGB-SECBINFHSA-N 0 3 298.343 -1.643 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001391546587 888635747 /nfs/dbraw/zinc/63/57/47/888635747.db2.gz GZRDRIMSWPROAK-GRYCIOLGSA-N 0 3 299.371 -1.290 20 0 CAADHN CNS(=O)(=O)CC(=O)NCC1CN(CCCF)C1 ZINC001391516653 888635839 /nfs/dbraw/zinc/63/58/39/888635839.db2.gz HVNJCWJIHYNVTC-UHFFFAOYSA-N 0 3 281.353 -1.057 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001391546588 888636043 /nfs/dbraw/zinc/63/60/43/888636043.db2.gz GZRDRIMSWPROAK-SDDRHHMPSA-N 0 3 299.371 -1.290 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCC1CN(C[C@H](C)O)C1 ZINC001391498371 888636218 /nfs/dbraw/zinc/63/62/18/888636218.db2.gz VVXQARQLKITELA-QMMMGPOBSA-N 0 3 294.377 -2.531 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001391499020 888636433 /nfs/dbraw/zinc/63/64/33/888636433.db2.gz XZVXMPRRTYMZRS-SECBINFHSA-N 0 3 293.389 -1.516 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC001391576111 888638263 /nfs/dbraw/zinc/63/82/63/888638263.db2.gz GZRDRIMSWPROAK-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN O=C(CCn1cnccc1=O)N[C@@H]1CCN(CCO)C1 ZINC001391593698 888638340 /nfs/dbraw/zinc/63/83/40/888638340.db2.gz ZCVOFRNESWPYTL-LLVKDONJSA-N 0 3 280.328 -1.184 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001391592270 888638363 /nfs/dbraw/zinc/63/83/63/888638363.db2.gz JFEHLAZPRMXOEO-SUNKGSAMSA-N 0 3 299.371 -1.147 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)NC ZINC001391666495 888638569 /nfs/dbraw/zinc/63/85/69/888638569.db2.gz RAKXUDCABFZQFB-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001391578845 888638585 /nfs/dbraw/zinc/63/85/85/888638585.db2.gz HEXUBWMDLKYIFM-MNOVXSKESA-N 0 3 296.327 -1.006 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)NCC(=O)N(C)C ZINC001391655023 888639170 /nfs/dbraw/zinc/63/91/70/888639170.db2.gz DCWFHOFPTQKETG-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)C1CC1)NCC(N)=O ZINC001391666845 888639315 /nfs/dbraw/zinc/63/93/15/888639315.db2.gz BZRRNAMMVOTWLK-SECBINFHSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(C)cn1)NCC(=O)NC(N)=O ZINC001391681084 888639449 /nfs/dbraw/zinc/63/94/49/888639449.db2.gz KJWQWKDNIVLYSG-QMMMGPOBSA-N 0 3 296.331 -1.287 20 0 CAADHN CC[C@H](CNC(=O)c1cnn(C)c1N)N[C@H](C)C(N)=O ZINC001391675406 888640171 /nfs/dbraw/zinc/64/01/71/888640171.db2.gz GBSZSPQLHUVFBM-HTQZYQBOSA-N 0 3 282.348 -1.026 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)N(C)C ZINC001391655028 888640220 /nfs/dbraw/zinc/64/02/20/888640220.db2.gz DCWFHOFPTQKETG-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN CC[C@@H](CNC(=O)CNC(C)=O)N[C@@H]1CCN(C)C1=O ZINC001391660488 888640534 /nfs/dbraw/zinc/64/05/34/888640534.db2.gz OUKAUCRZCSIEQB-WDEREUQCSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@H](CNC(=O)CNC(C)=O)N[C@@H]1CCN(C)C1=O ZINC001391660480 888640700 /nfs/dbraw/zinc/64/07/00/888640700.db2.gz OUKAUCRZCSIEQB-GHMZBOCLSA-N 0 3 284.360 -1.162 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC001391576110 888640805 /nfs/dbraw/zinc/64/08/05/888640805.db2.gz GZRDRIMSWPROAK-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)NC1CC1 ZINC001391696766 888642548 /nfs/dbraw/zinc/64/25/48/888642548.db2.gz XYVDZCBNRJVDOP-PSASIEDQSA-N 0 3 298.343 -1.142 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(=O)NC ZINC001391723524 888643048 /nfs/dbraw/zinc/64/30/48/888643048.db2.gz ZVBXQXWDUFPSDU-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)NC1CC1 ZINC001391696808 888643057 /nfs/dbraw/zinc/64/30/57/888643057.db2.gz XYVDZCBNRJVDOP-WPRPVWTQSA-N 0 3 298.343 -1.142 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)N[C@H]1CCN(C)C1=O ZINC001391692038 888643151 /nfs/dbraw/zinc/64/31/51/888643151.db2.gz KJOBQBNLLFWNCO-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)N[C@@H]1CCN(C)C1=O ZINC001391692036 888643209 /nfs/dbraw/zinc/64/32/09/888643209.db2.gz KJOBQBNLLFWNCO-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@@H](CNC(=O)C[C@@H]1CCNC1=O)NCC(=O)NC ZINC001391698254 888643297 /nfs/dbraw/zinc/64/32/97/888643297.db2.gz UBUROPYWPZTSFA-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2CCC(=O)N2)CCCC1 ZINC001391756802 888643422 /nfs/dbraw/zinc/64/34/22/888643422.db2.gz FQVCLVRSJKROMM-SECBINFHSA-N 0 3 282.344 -1.231 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CC(=O)N(CC)C1)NCC(N)=O ZINC001391682571 888643784 /nfs/dbraw/zinc/64/37/84/888643784.db2.gz KOEVENLMNRIBKV-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](CNC(=O)c1cncn1C)NCC(=O)NC(N)=O ZINC001391704826 888644123 /nfs/dbraw/zinc/64/41/23/888644123.db2.gz TUWQYBCMWRWFLP-QMMMGPOBSA-N 0 3 296.331 -1.287 20 0 CAADHN CC[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N[C@@H](C)C(N)=O ZINC001391743251 888644597 /nfs/dbraw/zinc/64/45/97/888644597.db2.gz MURMFJYBFOIORA-IUCAKERBSA-N 0 3 295.343 -1.248 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)NC1CC1 ZINC001391696794 888644622 /nfs/dbraw/zinc/64/46/22/888644622.db2.gz XYVDZCBNRJVDOP-WCBMZHEXSA-N 0 3 298.343 -1.142 20 0 CAADHN CC[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H]1CCNC1=O ZINC001391736017 888644710 /nfs/dbraw/zinc/64/47/10/888644710.db2.gz KURONMMUBDSDAD-RKDXNWHRSA-N 0 3 280.332 -1.280 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)N[C@@H]1CCN(C)C1=O ZINC001391693296 888644761 /nfs/dbraw/zinc/64/47/61/888644761.db2.gz ONMPPUTVFQQXMG-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CC(=O)NC1(CNCC(N)=O)CCCC1)NC(N)=O ZINC001391767670 888644773 /nfs/dbraw/zinc/64/47/73/888644773.db2.gz SUKZJLNZZLLXIG-SECBINFHSA-N 0 3 299.375 -1.063 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)c1nnn(C)n1 ZINC001391723968 888644793 /nfs/dbraw/zinc/64/47/93/888644793.db2.gz XYXBREUFDRRSSA-QMMMGPOBSA-N 0 3 283.336 -1.556 20 0 CAADHN CC[C@@H](CNC(=O)C1CS(=O)(=O)C1)NCC(N)=O ZINC001391683606 888644825 /nfs/dbraw/zinc/64/48/25/888644825.db2.gz IPHSLRBQVBWQJX-QMMMGPOBSA-N 0 3 277.346 -1.999 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCS(=O)(=O)C1)NCC(N)=O ZINC001391703131 888644905 /nfs/dbraw/zinc/64/49/05/888644905.db2.gz NIODWTGPZWXVQZ-IUCAKERBSA-N 0 3 291.373 -1.609 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCc1n[nH]c(C)n1 ZINC001391714128 888645108 /nfs/dbraw/zinc/64/51/08/888645108.db2.gz AELLDOYNZSANID-BDAKNGLRSA-N 0 3 295.347 -1.221 20 0 CAADHN COC[C@@H](OC)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001391865016 888646218 /nfs/dbraw/zinc/64/62/18/888646218.db2.gz KEJSWNGWDOGKFJ-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001391796534 888646415 /nfs/dbraw/zinc/64/64/15/888646415.db2.gz JWAFIRTZVXOAKB-TVQRCGJNSA-N 0 3 282.344 -1.375 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001391816248 888646560 /nfs/dbraw/zinc/64/65/60/888646560.db2.gz OLPKSXLIMHYMFA-RNCFNFMXSA-N 0 3 297.359 -1.712 20 0 CAADHN Cc1nnc(CC(=O)N2CCC[C@@H]2CNCC(N)=O)[nH]1 ZINC001391853753 888646848 /nfs/dbraw/zinc/64/68/48/888646848.db2.gz HJWIMPAHGUVATO-SECBINFHSA-N 0 3 280.332 -1.278 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)Cn1cncn1 ZINC001391862167 888646959 /nfs/dbraw/zinc/64/69/59/888646959.db2.gz SXYWWXZDSNXZEJ-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001391858462 888647252 /nfs/dbraw/zinc/64/72/52/888647252.db2.gz YADPRRQHXBCMHJ-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CCC[C@@H]2CNCC(N)=O)C1 ZINC001391861375 888647429 /nfs/dbraw/zinc/64/74/29/888647429.db2.gz MEHAZSNHXQCVAS-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN CN(C)C1(C(=O)NC[C@@H]2CN(CC(N)=O)CCO2)CCC1 ZINC001391972159 888652026 /nfs/dbraw/zinc/65/20/26/888652026.db2.gz LKJVDWHWLAEJGV-LLVKDONJSA-N 0 3 298.387 -1.227 20 0 CAADHN CN1C[C@@H](C(=O)NCC2(NCC(N)=O)CCCC2)CC1=O ZINC001392010699 888655021 /nfs/dbraw/zinc/65/50/21/888655021.db2.gz QZOYXPLTEAUCTE-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@H](CC(=O)NCC1(NCC(N)=O)CCCC1)NC(N)=O ZINC001392008186 888655989 /nfs/dbraw/zinc/65/59/89/888655989.db2.gz QFRFCOSFHGHYAM-SECBINFHSA-N 0 3 299.375 -1.063 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCC1(NCC(N)=O)CCCC1 ZINC001392003558 888657093 /nfs/dbraw/zinc/65/70/93/888657093.db2.gz SEPCRBBYEJZBIM-QMMMGPOBSA-N 0 3 285.348 -1.453 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1COCCO1 ZINC001392040383 888658373 /nfs/dbraw/zinc/65/83/73/888658373.db2.gz GZBHMQIKIPQASA-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1COCCO1 ZINC001392040396 888658923 /nfs/dbraw/zinc/65/89/23/888658923.db2.gz GZBHMQIKIPQASA-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)Cn1cnnn1 ZINC001392036662 888659820 /nfs/dbraw/zinc/65/98/20/888659820.db2.gz IMQSQSSFZDNVBC-BDAKNGLRSA-N 0 3 283.336 -1.756 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@H](C)CN[C@@H](C)C(N)=O)C1 ZINC001392054332 888662334 /nfs/dbraw/zinc/66/23/34/888662334.db2.gz WYYXPRQUOMSBIZ-BDAKNGLRSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCn1cncn1 ZINC001392044981 888662362 /nfs/dbraw/zinc/66/23/62/888662362.db2.gz NPEDMZICAUJMHV-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CN1CCCC1=O)C(N)=O ZINC001392046856 888662689 /nfs/dbraw/zinc/66/26/89/888662689.db2.gz ZVBSULHFCVQETN-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CN1CCOCC1 ZINC001392057126 888662748 /nfs/dbraw/zinc/66/27/48/888662748.db2.gz HSTDYPRIDIVXLZ-JTQLQIEISA-N 0 3 272.349 -1.760 20 0 CAADHN CCN1C[C@@H](C(=O)N(C)[C@H](C)CNCC(N)=O)CC1=O ZINC001392078203 888662952 /nfs/dbraw/zinc/66/29/52/888662952.db2.gz UNSOYQFQMYGWNK-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001392087011 888663026 /nfs/dbraw/zinc/66/30/26/888663026.db2.gz FUFQEWGMVZYVBV-YUMQZZPRSA-N 0 3 283.336 -1.605 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001392049191 888663256 /nfs/dbraw/zinc/66/32/56/888663256.db2.gz JJABWEZAUYFWPA-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001392070608 888663185 /nfs/dbraw/zinc/66/31/85/888663185.db2.gz ATHUSBSKEGUZEC-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CN1CCCC1=O ZINC001392046857 888663202 /nfs/dbraw/zinc/66/32/02/888663202.db2.gz ZVBSULHFCVQETN-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@@H](C)CN[C@H](C)C(N)=O)C1 ZINC001392054333 888663514 /nfs/dbraw/zinc/66/35/14/888663514.db2.gz WYYXPRQUOMSBIZ-DTWKUNHWSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@@H](NC[C@@H](C)N(C)C(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001392137397 888664855 /nfs/dbraw/zinc/66/48/55/888664855.db2.gz JMRWTDRTSJBGSO-RKDXNWHRSA-N 0 3 297.359 -1.352 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CS(=O)(=O)NC ZINC001392141781 888664868 /nfs/dbraw/zinc/66/48/68/888664868.db2.gz VCQIQAJMFRRDDP-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNC(=O)c1cnon1)N(C)C ZINC001392126224 888664911 /nfs/dbraw/zinc/66/49/11/888664911.db2.gz FHUFSXHQHBOIRQ-PSASIEDQSA-N 0 3 299.331 -1.383 20 0 CAADHN CNC(=O)CNC[C@H](CC(C)C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001392172452 888665138 /nfs/dbraw/zinc/66/51/38/888665138.db2.gz SZFVWUSONMTPNP-UWVGGRQHSA-N 0 3 299.375 -1.466 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CCNC(N)=O ZINC001392131588 888666388 /nfs/dbraw/zinc/66/63/88/888666388.db2.gz NVOIYCSGVLSJFK-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001392136600 888667122 /nfs/dbraw/zinc/66/71/22/888667122.db2.gz FFEQZSYMGQNIOW-MWLCHTKSSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001392120299 888667242 /nfs/dbraw/zinc/66/72/42/888667242.db2.gz CTLHVVAARLYIQB-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C(C)C ZINC001392213863 888668504 /nfs/dbraw/zinc/66/85/04/888668504.db2.gz BQMBGAAQIMQJHL-QWRGUYRKSA-N 0 3 298.387 -1.059 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001392271877 888668982 /nfs/dbraw/zinc/66/89/82/888668982.db2.gz IAJLURPMRNGFGH-NXEZZACHSA-N 0 3 289.332 -1.508 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H](C)NC(C)=O)C(C)C ZINC001392199466 888669253 /nfs/dbraw/zinc/66/92/53/888669253.db2.gz FOOLEGUNOWMAIN-KOLCDFICSA-N 0 3 286.376 -1.013 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C[C@H]1CCNC1=O)C(C)C ZINC001392232143 888669329 /nfs/dbraw/zinc/66/93/29/888669329.db2.gz KEWUAOREJGAUMG-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)C[C@@H]1CCNC1=O)C(C)C ZINC001392232152 888669679 /nfs/dbraw/zinc/66/96/79/888669679.db2.gz KEWUAOREJGAUMG-WDEREUQCSA-N 0 3 298.387 -1.011 20 0 CAADHN CC(C)[C@@H](CNC(=O)C[C@@H]1CCNC1=O)NCC(N)=O ZINC001392226577 888670095 /nfs/dbraw/zinc/67/00/95/888670095.db2.gz ANINKNLQJKFPCR-VHSXEESVSA-N 0 3 284.360 -1.272 20 0 CAADHN CC(C)[C@@H](CNC(=O)C[C@H]1CCNC1=O)NCC(N)=O ZINC001392226575 888670665 /nfs/dbraw/zinc/67/06/65/888670665.db2.gz ANINKNLQJKFPCR-NXEZZACHSA-N 0 3 284.360 -1.272 20 0 CAADHN CC(C)[C@H](CNC(=O)CN1CCCC1=O)NCC(N)=O ZINC001392209054 888670709 /nfs/dbraw/zinc/67/07/09/888670709.db2.gz WCKUDOAMVAPSIR-JTQLQIEISA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H](C)NC(C)=O)C(C)C ZINC001392199473 888670729 /nfs/dbraw/zinc/67/07/29/888670729.db2.gz FOOLEGUNOWMAIN-ONGXEEELSA-N 0 3 286.376 -1.013 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392298959 888672587 /nfs/dbraw/zinc/67/25/87/888672587.db2.gz BARXTAHEKWHBOF-UWVGGRQHSA-N 0 3 272.349 -1.219 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001392339442 888672921 /nfs/dbraw/zinc/67/29/21/888672921.db2.gz HXWVPGBKNWDEDE-NSHDSACASA-N 0 3 283.332 -1.877 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001392339424 888673040 /nfs/dbraw/zinc/67/30/40/888673040.db2.gz HXWVPGBKNWDEDE-LLVKDONJSA-N 0 3 283.332 -1.877 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)Cc1nnc[nH]1 ZINC001392319059 888673213 /nfs/dbraw/zinc/67/32/13/888673213.db2.gz IAPKUHBMCXLPRI-SNVBAGLBSA-N 0 3 285.348 -1.255 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1CC1)NC[C@@H]1CCCO1 ZINC001392336590 888673956 /nfs/dbraw/zinc/67/39/56/888673956.db2.gz BEVCKTZKKROYJO-RYUDHWBXSA-N 0 3 299.371 -1.242 20 0 CAADHN COC[C@H](O)CN(C)CCN(C)C(=O)c1nnn(C)n1 ZINC001392298443 888674617 /nfs/dbraw/zinc/67/46/17/888674617.db2.gz XRFATNWIUDQACG-SECBINFHSA-N 0 3 286.336 -1.779 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cccnc1 ZINC001392347468 888675996 /nfs/dbraw/zinc/67/59/96/888675996.db2.gz XJNRDEQSJGOCCS-NSHDSACASA-N 0 3 280.328 -1.150 20 0 CAADHN CCCC(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001392341658 888676275 /nfs/dbraw/zinc/67/62/75/888676275.db2.gz MHWAJOPWMYJGJR-SFYZADRCSA-N 0 3 274.321 -1.563 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cccnc1 ZINC001392347464 888676462 /nfs/dbraw/zinc/67/64/62/888676462.db2.gz XJNRDEQSJGOCCS-LLVKDONJSA-N 0 3 280.328 -1.150 20 0 CAADHN CC(C)OCCC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392348473 888676505 /nfs/dbraw/zinc/67/65/05/888676505.db2.gz IHLPULYUTQMOLN-WDEREUQCSA-N 0 3 287.360 -1.243 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)no1 ZINC001392351578 888676640 /nfs/dbraw/zinc/67/66/40/888676640.db2.gz OSGHICUKTBMTBV-VHSXEESVSA-N 0 3 296.327 -1.058 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cnsn1 ZINC001392352740 888676744 /nfs/dbraw/zinc/67/67/44/888676744.db2.gz DGMKKMVJELYMMO-RNFRBKRXSA-N 0 3 285.329 -1.893 20 0 CAADHN CC(C)OCCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392348462 888676860 /nfs/dbraw/zinc/67/68/60/888676860.db2.gz IHLPULYUTQMOLN-GHMZBOCLSA-N 0 3 287.360 -1.243 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001392344219 888676908 /nfs/dbraw/zinc/67/69/08/888676908.db2.gz FVCRIXJRWWSCHO-QMMMGPOBSA-N 0 3 297.315 -2.049 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnsn1)C(N)=O ZINC001392352720 888676928 /nfs/dbraw/zinc/67/69/28/888676928.db2.gz DETXNOVNXNHYBL-RNFRBKRXSA-N 0 3 287.345 -1.518 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccon1)C(N)=O ZINC001392353287 888676949 /nfs/dbraw/zinc/67/69/49/888676949.db2.gz FLXQRBUHLSFTPE-YUMQZZPRSA-N 0 3 270.289 -1.381 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnn(C)c1 ZINC001392350193 888677373 /nfs/dbraw/zinc/67/73/73/888677373.db2.gz IYTZCPYIYDPHLU-NSHDSACASA-N 0 3 297.359 -1.421 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnns1 ZINC001392353291 888677521 /nfs/dbraw/zinc/67/75/21/888677521.db2.gz FNSYEKHARNDLOP-ZETCQYMHSA-N 0 3 287.345 -1.693 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)no1 ZINC001392351579 888677869 /nfs/dbraw/zinc/67/78/69/888677869.db2.gz OSGHICUKTBMTBV-ZJUUUORDSA-N 0 3 296.327 -1.058 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnsn1)C(N)=O ZINC001392352718 888677890 /nfs/dbraw/zinc/67/78/90/888677890.db2.gz DETXNOVNXNHYBL-NKWVEPMBSA-N 0 3 287.345 -1.518 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cnsn1 ZINC001392352735 888677912 /nfs/dbraw/zinc/67/79/12/888677912.db2.gz DGMKKMVJELYMMO-BQBZGAKWSA-N 0 3 285.329 -1.893 20 0 CAADHN CCCC(=O)NC[C@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001392341651 888677930 /nfs/dbraw/zinc/67/79/30/888677930.db2.gz MHWAJOPWMYJGJR-HTQZYQBOSA-N 0 3 274.321 -1.563 20 0 CAADHN CCC(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001392345724 888678010 /nfs/dbraw/zinc/67/80/10/888678010.db2.gz WFGZHORESWDWSL-JTQLQIEISA-N 0 3 273.333 -1.678 20 0 CAADHN O=C(CN1CCCC1=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392342323 888678087 /nfs/dbraw/zinc/67/80/87/888678087.db2.gz CCVBXPUSSMUHLL-VHSXEESVSA-N 0 3 298.343 -2.436 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cnsn1 ZINC001392352737 888678117 /nfs/dbraw/zinc/67/81/17/888678117.db2.gz DGMKKMVJELYMMO-NKWVEPMBSA-N 0 3 285.329 -1.893 20 0 CAADHN COCC(=O)NC[C@H](O)CNCc1cn(C)nc1C ZINC001392341961 888678156 /nfs/dbraw/zinc/67/81/56/888678156.db2.gz MKDLMIDOHZWORK-LLVKDONJSA-N 0 3 270.333 -1.058 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cc(C)on1 ZINC001392350829 888678370 /nfs/dbraw/zinc/67/83/70/888678370.db2.gz MNNZIHKQLMDVKO-VIFPVBQESA-N 0 3 284.316 -1.201 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)c1ccn[nH]1)C1CC1 ZINC001392359311 888679361 /nfs/dbraw/zinc/67/93/61/888679361.db2.gz YWIDVOSZCYAPQK-SNVBAGLBSA-N 0 3 295.343 -1.289 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cnsn2)C1=O ZINC001392356068 888679576 /nfs/dbraw/zinc/67/95/76/888679576.db2.gz NBMUOKHAPQSTOV-HTQZYQBOSA-N 0 3 299.356 -1.551 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n(C)n1 ZINC001392358721 888680293 /nfs/dbraw/zinc/68/02/93/888680293.db2.gz MCZJRCJAJPYBQI-DTWKUNHWSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)COC1CCCC1)C(N)=O ZINC001392355599 888680894 /nfs/dbraw/zinc/68/08/94/888680894.db2.gz LOPMWNIRJXAKGD-VHSXEESVSA-N 0 3 287.360 -1.114 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)COC1CCCC1)C(N)=O ZINC001392355594 888680948 /nfs/dbraw/zinc/68/09/48/888680948.db2.gz LOPMWNIRJXAKGD-UWVGGRQHSA-N 0 3 287.360 -1.114 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2cnsn2)C1=O ZINC001392356071 888681492 /nfs/dbraw/zinc/68/14/92/888681492.db2.gz NBMUOKHAPQSTOV-JGVFFNPUSA-N 0 3 299.356 -1.551 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1ccon1 ZINC001392359235 888681502 /nfs/dbraw/zinc/68/15/02/888681502.db2.gz CHMBLAJVWOOIJV-VIFPVBQESA-N 0 3 270.289 -1.970 20 0 CAADHN O=C(CC(F)(F)F)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392355808 888681615 /nfs/dbraw/zinc/68/16/15/888681615.db2.gz FOAACXBNKZFHHZ-BQBZGAKWSA-N 0 3 283.250 -1.106 20 0 CAADHN CC[C@@H](F)CNC[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001392360299 888681636 /nfs/dbraw/zinc/68/16/36/888681636.db2.gz OEOPLKDAKCHSDC-BDAKNGLRSA-N 0 3 284.353 -1.154 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ncoc1C)C(N)=O ZINC001392363345 888682948 /nfs/dbraw/zinc/68/29/48/888682948.db2.gz UOESXPJLNRLMJH-IUCAKERBSA-N 0 3 284.316 -1.073 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnnn1C)C(N)=O ZINC001392365732 888683020 /nfs/dbraw/zinc/68/30/20/888683020.db2.gz FFOZDQKZQMRZMB-RNFRBKRXSA-N 0 3 270.293 -2.631 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CC1CCOCC1 ZINC001392361395 888683042 /nfs/dbraw/zinc/68/30/42/888683042.db2.gz GCQMJCSBCZVCCT-SNVBAGLBSA-N 0 3 273.333 -1.645 20 0 CAADHN CCn1nccc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001392366433 888683139 /nfs/dbraw/zinc/68/31/39/888683139.db2.gz ZFKBTBHXNSSATN-NXEZZACHSA-N 0 3 295.343 -1.528 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1ccc(C)o1 ZINC001392363766 888683525 /nfs/dbraw/zinc/68/35/25/888683525.db2.gz DROABCZTORBKCL-JTQLQIEISA-N 0 3 283.328 -1.057 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001392363075 888683621 /nfs/dbraw/zinc/68/36/21/888683621.db2.gz GJGYJFNGROJRCN-RKDXNWHRSA-N 0 3 296.327 -1.398 20 0 CAADHN CC(C)(O)CC(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001392366782 888683635 /nfs/dbraw/zinc/68/36/35/888683635.db2.gz HZXFTHYNDIZYEJ-SNVBAGLBSA-N 0 3 287.360 -1.507 20 0 CAADHN CC(C)(O)CC(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001392366781 888683656 /nfs/dbraw/zinc/68/36/56/888683656.db2.gz HZXFTHYNDIZYEJ-JTQLQIEISA-N 0 3 287.360 -1.507 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C[C@@H]1CCOC1)NC1CC1 ZINC001392366049 888683813 /nfs/dbraw/zinc/68/38/13/888683813.db2.gz PDBIEJOSRBSBLS-CMPLNLGQSA-N 0 3 299.371 -1.242 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001392365830 888683833 /nfs/dbraw/zinc/68/38/33/888683833.db2.gz OWSOWTKIMADYKB-SNVBAGLBSA-N 0 3 297.359 -1.375 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CN1CCOCC1)C(N)=O ZINC001392365854 888684046 /nfs/dbraw/zinc/68/40/46/888684046.db2.gz KQKDTITWFDPSQX-UWVGGRQHSA-N 0 3 288.348 -2.741 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001392365790 888684149 /nfs/dbraw/zinc/68/41/49/888684149.db2.gz OWSOWTKIMADYKB-JTQLQIEISA-N 0 3 297.359 -1.375 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)CC(C)(C)O)C(N)=O ZINC001392366435 888684168 /nfs/dbraw/zinc/68/41/68/888684168.db2.gz GLXBNTMSQNFFCZ-IUCAKERBSA-N 0 3 275.349 -1.522 20 0 CAADHN CCn1nccc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001392364007 888684234 /nfs/dbraw/zinc/68/42/34/888684234.db2.gz QNPHGHFOYPLJHF-RKDXNWHRSA-N 0 3 283.332 -1.543 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CNCC(=O)NC ZINC001392363448 888684323 /nfs/dbraw/zinc/68/43/23/888684323.db2.gz KDIQGOYHEBXHNW-QMMMGPOBSA-N 0 3 274.321 -2.675 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001392363073 888684340 /nfs/dbraw/zinc/68/43/40/888684340.db2.gz GJGYJFNGROJRCN-DTWKUNHWSA-N 0 3 296.327 -1.398 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)[nH]1 ZINC001392366312 888684415 /nfs/dbraw/zinc/68/44/15/888684415.db2.gz PKMRLHMGOFYMJJ-JTQLQIEISA-N 0 3 295.343 -1.369 20 0 CAADHN CCn1nccc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001392364003 888684433 /nfs/dbraw/zinc/68/44/33/888684433.db2.gz QNPHGHFOYPLJHF-DTWKUNHWSA-N 0 3 283.332 -1.543 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)[C@H]2CCC(=O)N2)cn1 ZINC001392363017 888684544 /nfs/dbraw/zinc/68/45/44/888684544.db2.gz JJRCFKPMHKWKLV-GHMZBOCLSA-N 0 3 295.343 -1.735 20 0 CAADHN CCOC1CC(C(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001392366269 888684574 /nfs/dbraw/zinc/68/45/74/888684574.db2.gz AMXNLHOBMSXYTL-KYHHOPLUSA-N 0 3 273.333 -1.647 20 0 CAADHN CCn1nccc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001392364005 888684628 /nfs/dbraw/zinc/68/46/28/888684628.db2.gz QNPHGHFOYPLJHF-IUCAKERBSA-N 0 3 283.332 -1.543 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnnn1C)C(N)=O ZINC001392365725 888684713 /nfs/dbraw/zinc/68/47/13/888684713.db2.gz FFOZDQKZQMRZMB-BQBZGAKWSA-N 0 3 270.293 -2.631 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001392365832 888684764 /nfs/dbraw/zinc/68/47/64/888684764.db2.gz OKWAYYMZNSERNL-VIFPVBQESA-N 0 3 283.332 -1.465 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@H](O)CNCC(N)=O)o1 ZINC001392363995 888684782 /nfs/dbraw/zinc/68/47/82/888684782.db2.gz JKIRVMLJFBHOHL-MRVPVSSYSA-N 0 3 270.289 -1.543 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CN1CCOCC1)C(N)=O ZINC001392365841 888684822 /nfs/dbraw/zinc/68/48/22/888684822.db2.gz KQKDTITWFDPSQX-NXEZZACHSA-N 0 3 288.348 -2.741 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001392361763 888684841 /nfs/dbraw/zinc/68/48/41/888684841.db2.gz CXXNXAYFYQNSKL-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN Cn1nccc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001392362564 888684890 /nfs/dbraw/zinc/68/48/90/888684890.db2.gz RYVPLTHILSGFJJ-IUCAKERBSA-N 0 3 281.316 -2.011 20 0 CAADHN O=C(Cc1ccon1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001392364697 888685032 /nfs/dbraw/zinc/68/50/32/888685032.db2.gz MIJSHKBCMQNEFT-GHMZBOCLSA-N 0 3 296.327 -1.438 20 0 CAADHN Cn1nccc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392362554 888685042 /nfs/dbraw/zinc/68/50/42/888685042.db2.gz RYVPLTHILSGFJJ-BDAKNGLRSA-N 0 3 281.316 -2.011 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1=CCOCC1)C(=O)N(C)C ZINC001392364850 888685071 /nfs/dbraw/zinc/68/50/71/888685071.db2.gz SSFMEJDSYWCCJM-CMPLNLGQSA-N 0 3 299.371 -1.124 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCOC1)N1CCCC1 ZINC001392363326 888685117 /nfs/dbraw/zinc/68/51/17/888685117.db2.gz UNYQGCPJNNDUHQ-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cccc(=O)[nH]1 ZINC001392363072 888685242 /nfs/dbraw/zinc/68/52/42/888685242.db2.gz GJGYJFNGROJRCN-BDAKNGLRSA-N 0 3 296.327 -1.398 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1c(C)ccn1C ZINC001392364654 888685381 /nfs/dbraw/zinc/68/53/81/888685381.db2.gz SMSXPNJHFHAPGU-SNVBAGLBSA-N 0 3 282.344 -1.240 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnnn1C ZINC001392366787 888685420 /nfs/dbraw/zinc/68/54/20/888685420.db2.gz ICFVMSMJOOZRQH-MRVPVSSYSA-N 0 3 284.320 -2.369 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](O)CNCC(=O)NC(C)C ZINC001392372102 888686474 /nfs/dbraw/zinc/68/64/74/888686474.db2.gz GASWHLSUQLNAHN-JTQLQIEISA-N 0 3 297.359 -1.077 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnnn1C ZINC001392366788 888686815 /nfs/dbraw/zinc/68/68/15/888686815.db2.gz ICFVMSMJOOZRQH-QMMMGPOBSA-N 0 3 284.320 -2.369 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(=O)n(C)cn1 ZINC001392371272 888686965 /nfs/dbraw/zinc/68/69/65/888686965.db2.gz DLZMXMCWKIUCNV-MRVPVSSYSA-N 0 3 297.315 -2.793 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCCO1 ZINC001392368811 888687163 /nfs/dbraw/zinc/68/71/63/888687163.db2.gz TZSPABULJMOJEA-GHMZBOCLSA-N 0 3 287.360 -1.242 20 0 CAADHN Cc1c(CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cnn1C ZINC001392374496 888687220 /nfs/dbraw/zinc/68/72/20/888687220.db2.gz CZEARXFZFLUXBG-LDYMZIIASA-N 0 3 297.359 -1.788 20 0 CAADHN COC1(CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)CCC1 ZINC001392367533 888687264 /nfs/dbraw/zinc/68/72/64/888687264.db2.gz LNEGHZMMANRBIX-ZJUUUORDSA-N 0 3 287.360 -1.114 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1nccc(C)n1)C(N)=O ZINC001392370519 888687281 /nfs/dbraw/zinc/68/72/81/888687281.db2.gz YIZFZBNPVWLWQC-NXEZZACHSA-N 0 3 295.343 -1.271 20 0 CAADHN Cc1nnc(CC(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)o1 ZINC001392371435 888687435 /nfs/dbraw/zinc/68/74/35/888687435.db2.gz ZCGYFJUGTYODKL-IUCAKERBSA-N 0 3 297.315 -2.124 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1cccnc1)C(N)=O ZINC001392368556 888687530 /nfs/dbraw/zinc/68/75/30/888687530.db2.gz RMKHYYWRXMSADU-KOLCDFICSA-N 0 3 280.328 -1.435 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnn(CC)n1)C(N)=O ZINC001392367996 888687753 /nfs/dbraw/zinc/68/77/53/888687753.db2.gz GIQGATMCRLYKAC-RKDXNWHRSA-N 0 3 298.347 -1.758 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)nn1 ZINC001392370471 888687626 /nfs/dbraw/zinc/68/76/26/888687626.db2.gz UJLKCYWLLKJSCY-DTWKUNHWSA-N 0 3 296.331 -2.226 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)nn1 ZINC001392376727 888687727 /nfs/dbraw/zinc/68/77/27/888687727.db2.gz OWWJTVOZVFKNKK-NXEZZACHSA-N 0 3 293.327 -1.646 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1ncc[nH]1 ZINC001392367769 888687732 /nfs/dbraw/zinc/68/77/32/888687732.db2.gz FPUBXVXSPDFMKA-DTWKUNHWSA-N 0 3 281.316 -1.631 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cnnn2C)n[nH]1 ZINC001392370484 888687740 /nfs/dbraw/zinc/68/77/40/888687740.db2.gz XWVIXJZXHMTUQK-QMMMGPOBSA-N 0 3 294.319 -1.878 20 0 CAADHN CCn1ccc(CC(=O)NC[C@H](O)CNCC(=O)NC)n1 ZINC001392374170 888687778 /nfs/dbraw/zinc/68/77/78/888687778.db2.gz GQUDFWDLSKSAFA-LLVKDONJSA-N 0 3 297.359 -1.742 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1cnc(C)o1)C(N)=O ZINC001392370778 888687834 /nfs/dbraw/zinc/68/78/34/888687834.db2.gz AEYNUXJAWZSKGZ-ONGXEEELSA-N 0 3 298.343 -1.144 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)ncn1 ZINC001392375930 888687871 /nfs/dbraw/zinc/68/78/71/888687871.db2.gz NANPZJBJTCTOLC-ZETCQYMHSA-N 0 3 283.288 -2.349 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)nn1 ZINC001392370468 888688037 /nfs/dbraw/zinc/68/80/37/888688037.db2.gz UJLKCYWLLKJSCY-BDAKNGLRSA-N 0 3 296.331 -2.226 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1(C)CC1)C(=O)NC(N)=O ZINC001392376623 888688084 /nfs/dbraw/zinc/68/80/84/888688084.db2.gz LLLXPWBBYAXXON-YUMQZZPRSA-N 0 3 286.332 -1.563 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCOCC1 ZINC001392367577 888688340 /nfs/dbraw/zinc/68/83/40/888688340.db2.gz LSECYCZJVJHXQB-VHSXEESVSA-N 0 3 273.333 -1.645 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cnnn1C ZINC001392369971 888688266 /nfs/dbraw/zinc/68/82/66/888688266.db2.gz UPQXKDXKNZXRRK-VIFPVBQESA-N 0 3 298.347 -1.980 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1nccc(C)n1)C(N)=O ZINC001392370526 888688310 /nfs/dbraw/zinc/68/83/10/888688310.db2.gz YIZFZBNPVWLWQC-ZJUUUORDSA-N 0 3 295.343 -1.271 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1(C)CC1)C(=O)NC(N)=O ZINC001392376615 888688383 /nfs/dbraw/zinc/68/83/83/888688383.db2.gz LLLXPWBBYAXXON-HTQZYQBOSA-N 0 3 286.332 -1.563 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](OC)C1CC1 ZINC001392367582 888688396 /nfs/dbraw/zinc/68/83/96/888688396.db2.gz LTPVHINWXZEFPU-GXSJLCMTSA-N 0 3 273.333 -1.776 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnco1 ZINC001392385330 888689557 /nfs/dbraw/zinc/68/95/57/888689557.db2.gz CEAWUVLCVYRLHQ-MRVPVSSYSA-N 0 3 270.289 -1.557 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c(C)nn1 ZINC001392380830 888689459 /nfs/dbraw/zinc/68/94/59/888689459.db2.gz YZUDNHVIAVTQBY-UWVGGRQHSA-N 0 3 295.343 -1.352 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c(C)nn1 ZINC001392380750 888689543 /nfs/dbraw/zinc/68/95/43/888689543.db2.gz YZUDNHVIAVTQBY-NXEZZACHSA-N 0 3 295.343 -1.352 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCCN1C ZINC001392384979 888689660 /nfs/dbraw/zinc/68/96/60/888689660.db2.gz IXQJDHVCDREHLB-MNOVXSKESA-N 0 3 286.376 -1.717 20 0 CAADHN COCC(C)(C)C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392384822 888689740 /nfs/dbraw/zinc/68/97/40/888689740.db2.gz CQMUNUOUTPIMSF-ZJUUUORDSA-N 0 3 287.360 -1.386 20 0 CAADHN CCOCC1(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001392384411 888689829 /nfs/dbraw/zinc/68/98/29/888689829.db2.gz VSZSQHYDEYMKSU-GHMZBOCLSA-N 0 3 299.371 -1.242 20 0 CAADHN Cc1nn(C)c(C)c1C(=O)NC[C@H](O)CNCC(N)=O ZINC001392388449 888689914 /nfs/dbraw/zinc/68/99/14/888689914.db2.gz KLAINCPKSDMRAD-SECBINFHSA-N 0 3 283.332 -1.797 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1c(C)ncn1C)C(N)=O ZINC001392385108 888690149 /nfs/dbraw/zinc/69/01/49/888690149.db2.gz PJRJXJMGEYRPHR-VHSXEESVSA-N 0 3 297.359 -1.327 20 0 CAADHN C[C@H](CC(=O)NC[C@@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001392388106 888690238 /nfs/dbraw/zinc/69/02/38/888690238.db2.gz APNAYKBAQNGNHS-KOLCDFICSA-N 0 3 297.359 -1.534 20 0 CAADHN Cn1ccc(=O)c(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001392384169 888690325 /nfs/dbraw/zinc/69/03/25/888690325.db2.gz AZLYDKGZRYJYNE-QMMMGPOBSA-N 0 3 282.300 -2.449 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](OC)C1CCC1 ZINC001392386395 888690366 /nfs/dbraw/zinc/69/03/66/888690366.db2.gz FWXRKGPIXWUXSF-JQWIXIFHSA-N 0 3 287.360 -1.386 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1c(C)ncn1C)C(N)=O ZINC001392385111 888690404 /nfs/dbraw/zinc/69/04/04/888690404.db2.gz PJRJXJMGEYRPHR-ZJUUUORDSA-N 0 3 297.359 -1.327 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1n[nH]cc1C ZINC001392378784 888690434 /nfs/dbraw/zinc/69/04/34/888690434.db2.gz WNKMZEFRGQDOIM-RKDXNWHRSA-N 0 3 283.332 -1.467 20 0 CAADHN O=C(Cc1cncs1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392387807 888690443 /nfs/dbraw/zinc/69/04/43/888690443.db2.gz UEIFSSBYYPYDRJ-WCBMZHEXSA-N 0 3 298.368 -1.359 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c(C)nn1 ZINC001392380832 888690469 /nfs/dbraw/zinc/69/04/69/888690469.db2.gz YZUDNHVIAVTQBY-VHSXEESVSA-N 0 3 295.343 -1.352 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(C)nn1 ZINC001392376792 888690634 /nfs/dbraw/zinc/69/06/34/888690634.db2.gz PKLMANMSKJPCPP-SECBINFHSA-N 0 3 281.316 -1.789 20 0 CAADHN CN1CC[C@@H](CC(=O)NC[C@H](O)CNCC(N)=O)C1=O ZINC001392378517 888690659 /nfs/dbraw/zinc/69/06/59/888690659.db2.gz BXWGXYLUDMWPLG-DTWKUNHWSA-N 0 3 286.332 -2.593 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1n[nH]c2c1CCC2 ZINC001392388370 888690820 /nfs/dbraw/zinc/69/08/20/888690820.db2.gz OVWZHPCOFXWJPP-SSDOTTSWSA-N 0 3 281.316 -1.936 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cc[nH]c1)NC1CC1 ZINC001392379793 888690878 /nfs/dbraw/zinc/69/08/78/888690878.db2.gz SDDQEZDGXDUEBS-LLVKDONJSA-N 0 3 280.328 -1.026 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1c(C)ncn1C)C(N)=O ZINC001392385104 888690909 /nfs/dbraw/zinc/69/09/09/888690909.db2.gz PJRJXJMGEYRPHR-UWVGGRQHSA-N 0 3 297.359 -1.327 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1n[nH]cc1C ZINC001392378776 888690955 /nfs/dbraw/zinc/69/09/55/888690955.db2.gz WNKMZEFRGQDOIM-IUCAKERBSA-N 0 3 283.332 -1.467 20 0 CAADHN CCOCC1(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001392384414 888691014 /nfs/dbraw/zinc/69/10/14/888691014.db2.gz VSZSQHYDEYMKSU-WDEREUQCSA-N 0 3 299.371 -1.242 20 0 CAADHN O=C(Cc1cncs1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392387804 888691334 /nfs/dbraw/zinc/69/13/34/888691334.db2.gz UEIFSSBYYPYDRJ-SCZZXKLOSA-N 0 3 298.368 -1.359 20 0 CAADHN COCC(C)(C)C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392384817 888691416 /nfs/dbraw/zinc/69/14/16/888691416.db2.gz CQMUNUOUTPIMSF-VHSXEESVSA-N 0 3 287.360 -1.386 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)nn1 ZINC001392378172 888691517 /nfs/dbraw/zinc/69/15/17/888691517.db2.gz VBLWGHCPFXPVTJ-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001392397121 888692755 /nfs/dbraw/zinc/69/27/55/888692755.db2.gz XBNNNQKDRCCDQI-YUMQZZPRSA-N 0 3 299.331 -2.017 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CNCC(=O)NC(C)C ZINC001392392770 888692932 /nfs/dbraw/zinc/69/29/32/888692932.db2.gz PLDNBPIQFUYXJY-JTQLQIEISA-N 0 3 297.359 -1.077 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)C1(COC)CC1 ZINC001392394058 888692956 /nfs/dbraw/zinc/69/29/56/888692956.db2.gz STSMCUUKQYYWGP-UWVGGRQHSA-N 0 3 287.360 -1.386 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)ccn1C ZINC001392397108 888693019 /nfs/dbraw/zinc/69/30/19/888693019.db2.gz AADGHQRIVMMNRB-ZYHUDNBSSA-N 0 3 294.355 -1.098 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)ccn1C ZINC001392397104 888693650 /nfs/dbraw/zinc/69/36/50/888693650.db2.gz AADGHQRIVMMNRB-CMPLNLGQSA-N 0 3 294.355 -1.098 20 0 CAADHN CC[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001392393345 888693716 /nfs/dbraw/zinc/69/37/16/888693716.db2.gz IEQQGIPHPOVVSY-MXWKQRLJSA-N 0 3 287.360 -1.386 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001392396298 888693938 /nfs/dbraw/zinc/69/39/38/888693938.db2.gz VVPPZEJQNSSVCL-KOLCDFICSA-N 0 3 296.327 -1.106 20 0 CAADHN O=C(COCC(F)F)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392393108 888694100 /nfs/dbraw/zinc/69/41/00/888694100.db2.gz HFGLJQHBQKFUDQ-JGVFFNPUSA-N 0 3 295.286 -1.777 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cn1cncc1C ZINC001392391014 888694237 /nfs/dbraw/zinc/69/42/37/888694237.db2.gz QGPZMVNOLVAPPA-LLVKDONJSA-N 0 3 297.359 -1.606 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001392395865 888694284 /nfs/dbraw/zinc/69/42/84/888694284.db2.gz HZKMUMZAYVQHHW-PREPNJAASA-N 0 3 297.355 -1.776 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CCc1ccon1 ZINC001392392495 888694325 /nfs/dbraw/zinc/69/43/25/888694325.db2.gz QUBURRMNDYTPSE-GXSJLCMTSA-N 0 3 298.343 -1.192 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001392397043 888694539 /nfs/dbraw/zinc/69/45/39/888694539.db2.gz LMVWGXINRZBQKG-MRVPVSSYSA-N 0 3 299.335 -2.631 20 0 CAADHN CC[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001392393342 888694599 /nfs/dbraw/zinc/69/45/99/888694599.db2.gz IEQQGIPHPOVVSY-AXFHLTTASA-N 0 3 287.360 -1.386 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C1(COC)CC1 ZINC001392394057 888694728 /nfs/dbraw/zinc/69/47/28/888694728.db2.gz STSMCUUKQYYWGP-NXEZZACHSA-N 0 3 287.360 -1.386 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cccc2c[nH]nc21 ZINC001392391819 888695077 /nfs/dbraw/zinc/69/50/77/888695077.db2.gz MUOGNEQACUTSEZ-VIFPVBQESA-N 0 3 291.311 -1.272 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)ccn1C ZINC001392397107 888695117 /nfs/dbraw/zinc/69/51/17/888695117.db2.gz AADGHQRIVMMNRB-PWSUYJOCSA-N 0 3 294.355 -1.098 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CCc1ccon1 ZINC001392392503 888695156 /nfs/dbraw/zinc/69/51/56/888695156.db2.gz QUBURRMNDYTPSE-ONGXEEELSA-N 0 3 298.343 -1.192 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)ccn1C ZINC001392397106 888695194 /nfs/dbraw/zinc/69/51/94/888695194.db2.gz AADGHQRIVMMNRB-JQWIXIFHSA-N 0 3 294.355 -1.098 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccc2[nH]ccc2n1 ZINC001392389302 888695262 /nfs/dbraw/zinc/69/52/62/888695262.db2.gz OKUIBKKFGYVMIV-MRVPVSSYSA-N 0 3 291.311 -1.272 20 0 CAADHN CC(C)c1cc(C(=O)NC[C@H](O)CNCC(N)=O)n(C)n1 ZINC001392405796 888696216 /nfs/dbraw/zinc/69/62/16/888696216.db2.gz APCDVEMOPUZREO-SECBINFHSA-N 0 3 297.359 -1.291 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1ccnnc1 ZINC001392404511 888696357 /nfs/dbraw/zinc/69/63/57/888696357.db2.gz GWHRRYGXMRIWAV-LLVKDONJSA-N 0 3 295.343 -1.317 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001392407137 888696455 /nfs/dbraw/zinc/69/64/55/888696455.db2.gz GCSLKIHIFMTZKX-VIFPVBQESA-N 0 3 298.347 -1.978 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1c(C)cnn1C ZINC001392402889 888696525 /nfs/dbraw/zinc/69/65/25/888696525.db2.gz WYHIJUJFHOCLNY-ZJUUUORDSA-N 0 3 297.359 -1.457 20 0 CAADHN Cc1ncccc1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001392400792 888696673 /nfs/dbraw/zinc/69/66/73/888696673.db2.gz HADSMTFWJMNZBW-LLVKDONJSA-N 0 3 280.328 -1.515 20 0 CAADHN Cc1cnc(CNC[C@@H](O)CNC(=O)c2nnc[nH]2)cn1 ZINC001392408451 888697054 /nfs/dbraw/zinc/69/70/54/888697054.db2.gz ISKJUYUEMXTJME-SNVBAGLBSA-N 0 3 291.315 -1.216 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001392397729 888697087 /nfs/dbraw/zinc/69/70/87/888697087.db2.gz WUAKJIOHSAJQPP-YUMQZZPRSA-N 0 3 287.320 -3.177 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CNCC(N)=O)c(C)nn1 ZINC001392399467 888697262 /nfs/dbraw/zinc/69/72/62/888697262.db2.gz QVXVPFOXYRXAPW-SNVBAGLBSA-N 0 3 295.343 -1.487 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ncccc1F)C(N)=O ZINC001392408363 888697319 /nfs/dbraw/zinc/69/73/19/888697319.db2.gz BZFJFJDBJUJXEW-JGVFFNPUSA-N 0 3 284.291 -1.225 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001392407223 888697375 /nfs/dbraw/zinc/69/73/75/888697375.db2.gz GVDGKTKDEKNSOH-JGVFFNPUSA-N 0 3 272.305 -2.793 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001392407133 888697506 /nfs/dbraw/zinc/69/75/06/888697506.db2.gz GCSLKIHIFMTZKX-SECBINFHSA-N 0 3 298.347 -1.978 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ncccc1F)C(N)=O ZINC001392408366 888697571 /nfs/dbraw/zinc/69/75/71/888697571.db2.gz BZFJFJDBJUJXEW-SFYZADRCSA-N 0 3 284.291 -1.225 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)c(C)nn1 ZINC001392399465 888697709 /nfs/dbraw/zinc/69/77/09/888697709.db2.gz QVXVPFOXYRXAPW-JTQLQIEISA-N 0 3 295.343 -1.487 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001392397720 888697882 /nfs/dbraw/zinc/69/78/82/888697882.db2.gz WUAKJIOHSAJQPP-HTQZYQBOSA-N 0 3 287.320 -3.177 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001392401954 888697925 /nfs/dbraw/zinc/69/79/25/888697925.db2.gz NKJHURODFIJHGD-YIZRAAEISA-N 0 3 286.332 -2.737 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ncccc1F)C(N)=O ZINC001392408358 888698079 /nfs/dbraw/zinc/69/80/79/888698079.db2.gz BZFJFJDBJUJXEW-HTQZYQBOSA-N 0 3 284.291 -1.225 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)ccn1C ZINC001392405044 888698425 /nfs/dbraw/zinc/69/84/25/888698425.db2.gz SUFKHUGIJSGEOB-SCZZXKLOSA-N 0 3 282.344 -1.112 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001392407225 888698934 /nfs/dbraw/zinc/69/89/34/888698934.db2.gz GVDGKTKDEKNSOH-SFYZADRCSA-N 0 3 272.305 -2.793 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001392401890 888698591 /nfs/dbraw/zinc/69/85/91/888698591.db2.gz SQUYFRHBVDZJCZ-REIXXSIJSA-N 0 3 271.317 -2.309 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1ccnnc1 ZINC001392404512 888698658 /nfs/dbraw/zinc/69/86/58/888698658.db2.gz GWHRRYGXMRIWAV-NSHDSACASA-N 0 3 295.343 -1.317 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001392398344 888698702 /nfs/dbraw/zinc/69/87/02/888698702.db2.gz OCWBZRXZAGSKGX-VIFPVBQESA-N 0 3 294.319 -2.176 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001392403423 888698737 /nfs/dbraw/zinc/69/87/37/888698737.db2.gz XTYVSYUHDHVODR-VHSXEESVSA-N 0 3 295.343 -1.703 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1)N1CCC1 ZINC001392397566 888698769 /nfs/dbraw/zinc/69/87/69/888698769.db2.gz WERCKBGLUMKBHI-RKDXNWHRSA-N 0 3 299.331 -3.033 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCCF)C(=O)NC(N)=O ZINC001392400017 888698805 /nfs/dbraw/zinc/69/88/05/888698805.db2.gz QIIZLMNXEAHDOF-YUMQZZPRSA-N 0 3 292.311 -1.614 20 0 CAADHN Cc1nn[nH]c1C(=O)NC[C@H](O)CNCc1cnnn1C ZINC001392397277 888698855 /nfs/dbraw/zinc/69/88/55/888698855.db2.gz XFLKKJHYHIFILP-SECBINFHSA-N 0 3 294.319 -1.878 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1c(C)cnn1C ZINC001392402883 888699157 /nfs/dbraw/zinc/69/91/57/888699157.db2.gz WYHIJUJFHOCLNY-NXEZZACHSA-N 0 3 297.359 -1.457 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1)N1CCC1 ZINC001392397558 888699204 /nfs/dbraw/zinc/69/92/04/888699204.db2.gz WERCKBGLUMKBHI-IUCAKERBSA-N 0 3 299.331 -3.033 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001392407227 888699248 /nfs/dbraw/zinc/69/92/48/888699248.db2.gz GVDGKTKDEKNSOH-YUMQZZPRSA-N 0 3 272.305 -2.793 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1cn[nH]c1)C(N)=O ZINC001392409788 888700801 /nfs/dbraw/zinc/70/08/01/888700801.db2.gz OYIWIWHFYDZKGZ-SCZZXKLOSA-N 0 3 283.332 -1.717 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)c1cnon1 ZINC001392411784 888700893 /nfs/dbraw/zinc/70/08/93/888700893.db2.gz KCTIVNKSSSNKPS-VIFPVBQESA-N 0 3 280.288 -1.316 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001392409913 888701715 /nfs/dbraw/zinc/70/17/15/888701715.db2.gz NMTBTWKMDSJPGZ-BDAKNGLRSA-N 0 3 283.332 -1.847 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)o1 ZINC001392413519 888702129 /nfs/dbraw/zinc/70/21/29/888702129.db2.gz SQYVSDUQEYCDCM-SFYZADRCSA-N 0 3 285.300 -1.158 20 0 CAADHN CCc1oncc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001392413165 888702186 /nfs/dbraw/zinc/70/21/86/888702186.db2.gz NVJNTVSTRNWMII-YUMQZZPRSA-N 0 3 284.316 -1.209 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)o1 ZINC001392413515 888702316 /nfs/dbraw/zinc/70/23/16/888702316.db2.gz SQYVSDUQEYCDCM-HTQZYQBOSA-N 0 3 285.300 -1.158 20 0 CAADHN CCc1oncc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001392413530 888702535 /nfs/dbraw/zinc/70/25/35/888702535.db2.gz QSBGLDAVIGTUQD-SCZZXKLOSA-N 0 3 296.327 -1.194 20 0 CAADHN Cc1cc(CNC[C@H](O)CNC(=O)c2nnc[nH]2)on1 ZINC001392408985 888702977 /nfs/dbraw/zinc/70/29/77/888702977.db2.gz KNPCTUABYQQAHG-QMMMGPOBSA-N 0 3 280.288 -1.018 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1ncc[nH]1)C(=O)N(C)C ZINC001392412282 888703021 /nfs/dbraw/zinc/70/30/21/888703021.db2.gz VGESSBOHRLMWRE-VHSXEESVSA-N 0 3 297.359 -1.504 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1cn[nH]c1)C(N)=O ZINC001392409907 888703275 /nfs/dbraw/zinc/70/32/75/888703275.db2.gz OYIWIWHFYDZKGZ-WPRPVWTQSA-N 0 3 283.332 -1.717 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@@H](O)CNCC(N)=O)c[nH]1 ZINC001392415937 888703817 /nfs/dbraw/zinc/70/38/17/888703817.db2.gz BXPAPSKYINJIHB-QMMMGPOBSA-N 0 3 282.300 -2.151 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ncccc1F ZINC001392412696 888703862 /nfs/dbraw/zinc/70/38/62/888703862.db2.gz MYTHJQQPSMYYCL-SCZZXKLOSA-N 0 3 296.302 -1.211 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001392429212 888704844 /nfs/dbraw/zinc/70/48/44/888704844.db2.gz SVWSGHVCXNNAKO-SFYZADRCSA-N 0 3 297.315 -2.666 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001392431732 888705123 /nfs/dbraw/zinc/70/51/23/888705123.db2.gz RXBXLPIXCJTHES-QMMMGPOBSA-N 0 3 285.304 -1.853 20 0 CAADHN Cc1cnn(CCC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001392425981 888705163 /nfs/dbraw/zinc/70/51/63/888705163.db2.gz KBIWUEBKUCYMDB-QWRGUYRKSA-N 0 3 297.359 -1.478 20 0 CAADHN O=C(NC[C@@H](O)CNCc1ccns1)[C@@H]1CCC(=O)N1 ZINC001392426301 888705199 /nfs/dbraw/zinc/70/51/99/888705199.db2.gz YATNUZBHOCYIFG-WPRPVWTQSA-N 0 3 298.368 -1.012 20 0 CAADHN O=C(NC[C@H](O)CNCc1ccns1)[C@@H]1CCC(=O)N1 ZINC001392426299 888705249 /nfs/dbraw/zinc/70/52/49/888705249.db2.gz YATNUZBHOCYIFG-SCZZXKLOSA-N 0 3 298.368 -1.012 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)Cn1ncnn1)C(N)=O ZINC001392440846 888706097 /nfs/dbraw/zinc/70/60/97/888706097.db2.gz DINZVWCEINZPEU-SECBINFHSA-N 0 3 283.336 -1.625 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)Cn1ncnn1)C(N)=O ZINC001392440849 888706119 /nfs/dbraw/zinc/70/61/19/888706119.db2.gz DINZVWCEINZPEU-VIFPVBQESA-N 0 3 283.336 -1.625 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)Cn2ccnc2)C1=O ZINC001392426691 888706348 /nfs/dbraw/zinc/70/63/48/888706348.db2.gz LBVYUKIPLBEFOP-WDEREUQCSA-N 0 3 295.343 -1.820 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccc(=O)n(C)n1)C(N)=O ZINC001392429216 888706865 /nfs/dbraw/zinc/70/68/65/888706865.db2.gz SVWSGHVCXNNAKO-YUMQZZPRSA-N 0 3 297.315 -2.666 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccc(=O)[nH]c1 ZINC001392424852 888706893 /nfs/dbraw/zinc/70/68/93/888706893.db2.gz SBVMBZNRDBZJAA-PSASIEDQSA-N 0 3 296.327 -1.398 20 0 CAADHN CC(C)c1ncncc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001392427674 888707279 /nfs/dbraw/zinc/70/72/79/888707279.db2.gz PBQMDAFDADZSIX-SECBINFHSA-N 0 3 295.343 -1.234 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)COc1ccsc1 ZINC001392427617 888707559 /nfs/dbraw/zinc/70/75/59/888707559.db2.gz USAHOEAFHSNIHO-QMMMGPOBSA-N 0 3 287.341 -1.321 20 0 CAADHN Cc1cnn(CCC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c1 ZINC001392425973 888707680 /nfs/dbraw/zinc/70/76/80/888707680.db2.gz KBIWUEBKUCYMDB-GHMZBOCLSA-N 0 3 297.359 -1.478 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)Cn2ccnc2)C1=O ZINC001392426686 888707809 /nfs/dbraw/zinc/70/78/09/888707809.db2.gz LBVYUKIPLBEFOP-GHMZBOCLSA-N 0 3 295.343 -1.820 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNCc1cnn(C)n1)N(C)C ZINC001392425450 888707986 /nfs/dbraw/zinc/70/79/86/888707986.db2.gz WLSUDXIOGDWJTR-RYUDHWBXSA-N 0 3 298.391 -1.278 20 0 CAADHN O=C(C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1)NC1CC1 ZINC001392426288 888708509 /nfs/dbraw/zinc/70/85/09/888708509.db2.gz OOSYJNNACFWICC-SECBINFHSA-N 0 3 296.331 -2.308 20 0 CAADHN Cc1ncoc1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001392472446 888710028 /nfs/dbraw/zinc/71/00/28/888710028.db2.gz VNQPNENCCCOSNO-ZCFIWIBFSA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)C1=COCCC1 ZINC001392468233 888710087 /nfs/dbraw/zinc/71/00/87/888710087.db2.gz XFOVERZWCZWZQS-MRVPVSSYSA-N 0 3 284.316 -1.030 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1COCCO1 ZINC001392469484 888710201 /nfs/dbraw/zinc/71/02/01/888710201.db2.gz YSBDTLBBMHQOHE-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CCn1ncc(C(=O)N[C@H](C)CN[C@@H]2CCNC2=O)n1 ZINC001392473277 888711210 /nfs/dbraw/zinc/71/12/10/888711210.db2.gz BPZDWKZBMBSMTM-RKDXNWHRSA-N 0 3 280.332 -1.106 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1nccnc1N ZINC001392466795 888711754 /nfs/dbraw/zinc/71/17/54/888711754.db2.gz PKWXWFGQXCUACE-SFYZADRCSA-N 0 3 280.332 -1.099 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)CS(C)(=O)=O ZINC001392443902 888711861 /nfs/dbraw/zinc/71/18/61/888711861.db2.gz WMJXEGCPTCVHCO-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CCNC(=O)NC ZINC001392444604 888711919 /nfs/dbraw/zinc/71/19/19/888711919.db2.gz SNNQDIDIUHOZCB-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1nccnc1N ZINC001392466792 888712109 /nfs/dbraw/zinc/71/21/09/888712109.db2.gz PKWXWFGQXCUACE-HTQZYQBOSA-N 0 3 280.332 -1.099 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001392452753 888712294 /nfs/dbraw/zinc/71/22/94/888712294.db2.gz FKSLQUCCZFMYJW-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001392452755 888712461 /nfs/dbraw/zinc/71/24/61/888712461.db2.gz FKSLQUCCZFMYJW-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CN1CCOCC1 ZINC001392471668 888712484 /nfs/dbraw/zinc/71/24/84/888712484.db2.gz QCTZKAFAQIJCDH-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1ccnn1C ZINC001392467223 888712526 /nfs/dbraw/zinc/71/25/26/888712526.db2.gz WYYLKQBJCGMVKR-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)CCn1cnnn1 ZINC001392453998 888712941 /nfs/dbraw/zinc/71/29/41/888712941.db2.gz ATRMVTQOLNAGGQ-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CCCN(C)CC(=O)N[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001392517671 888713994 /nfs/dbraw/zinc/71/39/94/888713994.db2.gz FAKXLPLYCNQCPO-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001392507532 888714205 /nfs/dbraw/zinc/71/42/05/888714205.db2.gz ZUTWCUNCTMEFPO-VGMNWLOBSA-N 0 3 270.333 -1.425 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001392486475 888714236 /nfs/dbraw/zinc/71/42/36/888714236.db2.gz HJEPEGDZFOXWBK-SSDOTTSWSA-N 0 3 299.335 -2.368 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCNS(C)(=O)=O ZINC001392489016 888714345 /nfs/dbraw/zinc/71/43/45/888714345.db2.gz WAKOKMVPGXRHEQ-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001392507138 888714610 /nfs/dbraw/zinc/71/46/10/888714610.db2.gz WJKMDAOJWGGCCG-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001392501253 888714693 /nfs/dbraw/zinc/71/46/93/888714693.db2.gz JHSYZACWZUALCV-MRVPVSSYSA-N 0 3 283.332 -1.030 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001392488898 888715149 /nfs/dbraw/zinc/71/51/49/888715149.db2.gz IYEQOERESZQGFV-BDAKNGLRSA-N 0 3 298.347 -2.060 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001392508400 888715248 /nfs/dbraw/zinc/71/52/48/888715248.db2.gz XVNGFBJQEZFEOW-MRVPVSSYSA-N 0 3 281.316 -1.386 20 0 CAADHN COCCn1ccc(C(=O)N[C@H](C)CNCC(N)=O)n1 ZINC001392495295 888715417 /nfs/dbraw/zinc/71/54/17/888715417.db2.gz JCSLZGVTUCDXOO-SECBINFHSA-N 0 3 283.332 -1.277 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)c1cnn(C)n1 ZINC001392519735 888715548 /nfs/dbraw/zinc/71/55/48/888715548.db2.gz KVDYPCDCPHPZQH-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001392515190 888715702 /nfs/dbraw/zinc/71/57/02/888715702.db2.gz MINWKELMAHLGGN-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)C[C@H]1CCC(=O)N1 ZINC001392515188 888716044 /nfs/dbraw/zinc/71/60/44/888716044.db2.gz MINWKELMAHLGGN-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001392488896 888716078 /nfs/dbraw/zinc/71/60/78/888716078.db2.gz VAICNKRXTRWJIN-BDAKNGLRSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)c1cnnn1C ZINC001392477751 888716131 /nfs/dbraw/zinc/71/61/31/888716131.db2.gz QQAKZUADABHSJI-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN Cc1ccc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)nn1 ZINC001392478182 888716171 /nfs/dbraw/zinc/71/61/71/888716171.db2.gz YONIADACYYMSCI-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001392519668 888716226 /nfs/dbraw/zinc/71/62/26/888716226.db2.gz JWESYFOEYKCSMN-VXNVDRBHSA-N 0 3 293.327 -1.290 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001392501286 888716271 /nfs/dbraw/zinc/71/62/71/888716271.db2.gz JLIIRYJDLTUUGI-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCC(=O)NC1=O ZINC001392522204 888716621 /nfs/dbraw/zinc/71/66/21/888716621.db2.gz QGAGXWAISBZAHZ-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CCS(C)(=O)=O ZINC001392490589 888716947 /nfs/dbraw/zinc/71/69/47/888716947.db2.gz SAXSPFNESJIXEG-RKDXNWHRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CNC(=O)N1 ZINC001392506828 888716828 /nfs/dbraw/zinc/71/68/28/888716828.db2.gz NNEMSDNMBRYUDW-RNFRBKRXSA-N 0 3 297.319 -2.616 20 0 CAADHN CCCN1C[C@@H](C(=O)N[C@H](C)CNCC(N)=O)CC1=O ZINC001392512671 888717139 /nfs/dbraw/zinc/71/71/39/888717139.db2.gz UKHWWMPNMIOQEA-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cccc(C(N)=O)c1 ZINC001392490064 888717186 /nfs/dbraw/zinc/71/71/86/888717186.db2.gz FZVPDMMCOBNASG-MRVPVSSYSA-N 0 3 278.312 -1.021 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1ccnnc1 ZINC001392512552 888717248 /nfs/dbraw/zinc/71/72/48/888717248.db2.gz OWQACVFUCGJFGR-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001392540584 888718093 /nfs/dbraw/zinc/71/80/93/888718093.db2.gz DSNMAMNAYLAUFZ-WCBMZHEXSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CCCC(N)=O ZINC001392536571 888718141 /nfs/dbraw/zinc/71/81/41/888718141.db2.gz LIOLNWGCWTTXED-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN Cc1cc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)no1 ZINC001392540406 888718543 /nfs/dbraw/zinc/71/85/43/888718543.db2.gz DQFQYQHUGFEGHM-LURJTMIESA-N 0 3 283.288 -1.114 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001392558812 888718782 /nfs/dbraw/zinc/71/87/82/888718782.db2.gz XDXWUAUMAXEKRT-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN[C@H]1CCCN(C)C1=O)NC(=O)Cn1cncn1 ZINC001392533260 888718805 /nfs/dbraw/zinc/71/88/05/888718805.db2.gz RQKMTWDNZJFVEC-MNOVXSKESA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001392548308 888719005 /nfs/dbraw/zinc/71/90/05/888719005.db2.gz BYVNPLNZEIYKJR-XHNCKOQMSA-N 0 3 270.333 -1.506 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001392526319 888719054 /nfs/dbraw/zinc/71/90/54/888719054.db2.gz OGXKHNHKGSPJTE-HLTSFMKQSA-N 0 3 270.333 -1.377 20 0 CAADHN CO[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)C1CC1 ZINC001392558998 888719703 /nfs/dbraw/zinc/71/97/03/888719703.db2.gz YTEMRWTWXGWSGT-OIBJUYFYSA-N 0 3 286.332 -1.299 20 0 CAADHN CC(=O)N[C@@H](C)CNCC(=O)N1CCC(C(N)=O)CC1 ZINC001392539725 888719306 /nfs/dbraw/zinc/71/93/06/888719306.db2.gz QPCWFFLVTNZZNC-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)Cn1cccn1 ZINC001392541522 888719468 /nfs/dbraw/zinc/71/94/68/888719468.db2.gz DHYUNVIGRQKRJM-VIFPVBQESA-N 0 3 293.331 -1.401 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001392540589 888719588 /nfs/dbraw/zinc/71/95/88/888719588.db2.gz DSNMAMNAYLAUFZ-WPRPVWTQSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001392548296 888719932 /nfs/dbraw/zinc/71/99/32/888719932.db2.gz BYVNPLNZEIYKJR-DJLDLDEBSA-N 0 3 270.333 -1.506 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CN[C@H]1CCCNC1=O ZINC001392557232 888719773 /nfs/dbraw/zinc/71/97/73/888719773.db2.gz YWJZFSHIEUWFER-UWVGGRQHSA-N 0 3 299.375 -1.322 20 0 CAADHN Cc1ocnc1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001392550042 888720103 /nfs/dbraw/zinc/72/01/03/888720103.db2.gz ZBLFQQZCZBUUFF-LURJTMIESA-N 0 3 283.288 -1.114 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCCN(C)C1=O ZINC001392541331 888720116 /nfs/dbraw/zinc/72/01/16/888720116.db2.gz HIRSCJLUNWUAAW-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1COC(=O)N1 ZINC001392558633 888720576 /nfs/dbraw/zinc/72/05/76/888720576.db2.gz VYBUAGHQYJXMFO-WPRPVWTQSA-N 0 3 298.343 -1.285 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CNC(=O)C1CC1 ZINC001392546448 888720597 /nfs/dbraw/zinc/72/05/97/888720597.db2.gz AQAHBQXGUQGEDQ-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1ccn(C)n1 ZINC001392528789 888720661 /nfs/dbraw/zinc/72/06/61/888720661.db2.gz BOOUVXBVBLEIQZ-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001392530583 888720733 /nfs/dbraw/zinc/72/07/33/888720733.db2.gz LULPFACEEDKXPY-OPRDCNLKSA-N 0 3 299.375 -1.194 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001392530338 888720774 /nfs/dbraw/zinc/72/07/74/888720774.db2.gz FWNCWWVHAIYIDQ-MRVPVSSYSA-N 0 3 298.347 -2.269 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)Cn1cncn1 ZINC001392532688 888721073 /nfs/dbraw/zinc/72/10/73/888721073.db2.gz OVQGMZHTJZMMJN-ZJUUUORDSA-N 0 3 280.332 -1.397 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1COCCO1 ZINC001392546750 888720937 /nfs/dbraw/zinc/72/09/37/888720937.db2.gz LGEKOHLICJSEPW-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CN[C@@H]1CCCNC1=O ZINC001392557234 888720977 /nfs/dbraw/zinc/72/09/77/888720977.db2.gz YWJZFSHIEUWFER-VHSXEESVSA-N 0 3 299.375 -1.322 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)[C@@H]2CN(C)C(=O)N2)n[nH]1 ZINC001392582527 888722370 /nfs/dbraw/zinc/72/23/70/888722370.db2.gz FXAIWCKVDNEUPC-CBAPKCEASA-N 0 3 295.347 -1.269 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1ncccn1 ZINC001392602232 888722424 /nfs/dbraw/zinc/72/24/24/888722424.db2.gz XYKDODJUVBRESN-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CN1CCCNC1=O ZINC001392568337 888722493 /nfs/dbraw/zinc/72/24/93/888722493.db2.gz AGHAGCCVGYGFPV-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)c1nnn(C)n1 ZINC001392593615 888722683 /nfs/dbraw/zinc/72/26/83/888722683.db2.gz GOVJWDQOZPNDDG-ZETCQYMHSA-N 0 3 281.320 -1.803 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O)C(N)=O ZINC001392570426 888722918 /nfs/dbraw/zinc/72/29/18/888722918.db2.gz DHPDMONJHKSGMD-JGVFFNPUSA-N 0 3 297.315 -2.083 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001392593651 888723191 /nfs/dbraw/zinc/72/31/91/888723191.db2.gz GRHPFIAXZATXPO-QHOPCYEYSA-N 0 3 284.316 -1.832 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001392568895 888723421 /nfs/dbraw/zinc/72/34/21/888723421.db2.gz TYMBIPDFJGBHPK-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cnon1 ZINC001392599761 888723505 /nfs/dbraw/zinc/72/35/05/888723505.db2.gz CKOQVOYFOXSGBL-NKWVEPMBSA-N 0 3 298.303 -1.378 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cccnn1)C(=O)NC(N)=O ZINC001392600222 888723769 /nfs/dbraw/zinc/72/37/69/888723769.db2.gz JZBCUDMFESZXKM-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@H](CC(=O)N[C@@H](C)CNCC(=O)N(C)C)NC(N)=O ZINC001392564341 888723819 /nfs/dbraw/zinc/72/38/19/888723819.db2.gz DAAPTEVWOAQGDF-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CN1CCCNC1=O ZINC001392568331 888724473 /nfs/dbraw/zinc/72/44/73/888724473.db2.gz AGHAGCCVGYGFPV-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)Cn1ncnn1 ZINC001392559900 888724774 /nfs/dbraw/zinc/72/47/74/888724774.db2.gz CARZXBVBIVVOFI-DTWKUNHWSA-N 0 3 281.320 -1.954 20 0 CAADHN COc1c[nH]c(C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O)cc1=O ZINC001392581168 888725027 /nfs/dbraw/zinc/72/50/27/888725027.db2.gz SHJAHSMPVMWKMN-YUMQZZPRSA-N 0 3 296.327 -1.035 20 0 CAADHN Cc1nn(CC(=O)N[C@@H](C)CN[C@H](C)C(N)=O)c(=O)n1C ZINC001392611655 888726247 /nfs/dbraw/zinc/72/62/47/888726247.db2.gz CDCRSAAWVZWGGE-JGVFFNPUSA-N 0 3 298.347 -2.142 20 0 CAADHN COCCn1cc(C(=O)N[C@@H](C)CN(C)CCO)nn1 ZINC001392658590 888726595 /nfs/dbraw/zinc/72/65/95/888726595.db2.gz PDFJSEUWJRNHIT-JTQLQIEISA-N 0 3 285.348 -1.033 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CN1CCCCCC1=O ZINC001392611237 888726704 /nfs/dbraw/zinc/72/67/04/888726704.db2.gz AXNQGMXXGFANDM-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)CNC(=O)OC ZINC001392658587 888726865 /nfs/dbraw/zinc/72/68/65/888726865.db2.gz UKUBAOICCHAHID-NXEZZACHSA-N 0 3 291.348 -1.214 20 0 CAADHN Cc1nn(CC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O)c(=O)n1C ZINC001392611731 888727214 /nfs/dbraw/zinc/72/72/14/888727214.db2.gz CDCRSAAWVZWGGE-YUMQZZPRSA-N 0 3 298.347 -2.142 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)CNC(=O)OC ZINC001392658595 888727306 /nfs/dbraw/zinc/72/73/06/888727306.db2.gz UKUBAOICCHAHID-VHSXEESVSA-N 0 3 291.348 -1.214 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001392627064 888727425 /nfs/dbraw/zinc/72/74/25/888727425.db2.gz DXECBLJFEPWVQP-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)Cn1ccnc1 ZINC001392627009 888727732 /nfs/dbraw/zinc/72/77/32/888727732.db2.gz DMYSSOKFLXROOU-VIFPVBQESA-N 0 3 296.331 -1.567 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001392620337 888729442 /nfs/dbraw/zinc/72/94/42/888729442.db2.gz TYGPBNDMYBXKEM-DTWKUNHWSA-N 0 3 280.332 -1.580 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CCCS(N)(=O)=O ZINC001392692085 888731490 /nfs/dbraw/zinc/73/14/90/888731490.db2.gz UFCKAQMQAJJICY-VIFPVBQESA-N 0 3 281.378 -1.516 20 0 CAADHN C[C@@H](CN(C)CC(=O)NC(N)=O)NC(=O)CN1CCCC1 ZINC001392719424 888731832 /nfs/dbraw/zinc/73/18/32/888731832.db2.gz AEAQESHXTMYRAW-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)COCc1nncn1C ZINC001392705826 888733806 /nfs/dbraw/zinc/73/38/06/888733806.db2.gz KGXKOOVBSCWODH-SNVBAGLBSA-N 0 3 285.348 -1.240 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC001392759558 888735295 /nfs/dbraw/zinc/73/52/95/888735295.db2.gz HMUJLYVURLDXFY-RYUDHWBXSA-N 0 3 298.387 -1.453 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)c1cnnn1C)C1CC1)C(N)=O ZINC001392776131 888735455 /nfs/dbraw/zinc/73/54/55/888735455.db2.gz OKBJPBUQBXQYBP-VXNVDRBHSA-N 0 3 280.332 -1.213 20 0 CAADHN Cn1cnc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)cc1=O ZINC001392778406 888736513 /nfs/dbraw/zinc/73/65/13/888736513.db2.gz YLSCDHIBKFVOLZ-JTQLQIEISA-N 0 3 293.327 -1.636 20 0 CAADHN Cn1cnc(C(=O)N[C@H](CN[C@@H]2CCNC2=O)C2CC2)n1 ZINC001392777140 888737164 /nfs/dbraw/zinc/73/71/64/888737164.db2.gz SCJGRJWRFYJZQF-NXEZZACHSA-N 0 3 292.343 -1.198 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001392743090 888737751 /nfs/dbraw/zinc/73/77/51/888737751.db2.gz RYPVCPUFYHIWLY-UWVGGRQHSA-N 0 3 272.349 -1.042 20 0 CAADHN Cn1cnc(C(=O)N[C@@H](CN[C@H]2CCNC2=O)C2CC2)n1 ZINC001392777141 888737766 /nfs/dbraw/zinc/73/77/66/888737766.db2.gz SCJGRJWRFYJZQF-UWVGGRQHSA-N 0 3 292.343 -1.198 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](NC(=O)CNC(C)=O)C1CC1 ZINC001392770214 888738025 /nfs/dbraw/zinc/73/80/25/888738025.db2.gz UTJRZJTURCJQEX-LDYMZIIASA-N 0 3 284.360 -1.259 20 0 CAADHN Cn1cnc(C(=O)N[C@@H](CN[C@@H]2CCNC2=O)C2CC2)n1 ZINC001392777144 888738133 /nfs/dbraw/zinc/73/81/33/888738133.db2.gz SCJGRJWRFYJZQF-ZJUUUORDSA-N 0 3 292.343 -1.198 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](NC(=O)CNC(C)=O)C1CC1 ZINC001392770212 888738205 /nfs/dbraw/zinc/73/82/05/888738205.db2.gz UTJRZJTURCJQEX-KWQFWETISA-N 0 3 284.360 -1.259 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CC1 ZINC001392797417 888738970 /nfs/dbraw/zinc/73/89/70/888738970.db2.gz YVELPGYVWZVAAR-OUAUKWLOSA-N 0 3 296.371 -1.142 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001392803621 888739353 /nfs/dbraw/zinc/73/93/53/888739353.db2.gz SMPPIEQBPGTFSU-VHSXEESVSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@]1(C(=O)N[C@@H](CNCC(N)=O)C2CC2)CCC(=O)NC1 ZINC001392792537 888739379 /nfs/dbraw/zinc/73/93/79/888739379.db2.gz JZJFXRIWIQNHGG-HZMBPMFUSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@H](NC[C@H](NC(=O)c1cnn(C)n1)C1CC1)C(N)=O ZINC001392796508 888739916 /nfs/dbraw/zinc/73/99/16/888739916.db2.gz JFOXDOXOMZDELT-CBAPKCEASA-N 0 3 280.332 -1.213 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)Cn1cncn1)C1CC1 ZINC001392797906 888740211 /nfs/dbraw/zinc/74/02/11/888740211.db2.gz QSVHBWJDGNGIPV-LLVKDONJSA-N 0 3 294.359 -1.149 20 0 CAADHN C[C@@]1(C(=O)N[C@@H](CNCC(N)=O)C2CC2)CCC(=O)NC1 ZINC001392792538 888740255 /nfs/dbraw/zinc/74/02/55/888740255.db2.gz JZJFXRIWIQNHGG-IINYFYTJSA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CCn1cnnn1)C1CC1 ZINC001392796690 888741118 /nfs/dbraw/zinc/74/11/18/888741118.db2.gz GSGVUAPTKZPPHB-VIFPVBQESA-N 0 3 281.320 -1.967 20 0 CAADHN COC(=O)NCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001392890266 888744726 /nfs/dbraw/zinc/74/47/26/888744726.db2.gz FURMSCWVXFCCNG-VIFPVBQESA-N 0 3 298.343 -1.141 20 0 CAADHN COC(=O)NCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001392890262 888745816 /nfs/dbraw/zinc/74/58/16/888745816.db2.gz FURMSCWVXFCCNG-SECBINFHSA-N 0 3 298.343 -1.141 20 0 CAADHN CNC(=O)NCC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001392907512 888747254 /nfs/dbraw/zinc/74/72/54/888747254.db2.gz KYACYGFHQAZQKJ-VIFPVBQESA-N 0 3 297.359 -1.568 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)CNC(C)=O ZINC001394036514 888811022 /nfs/dbraw/zinc/81/10/22/888811022.db2.gz MWVYWGIBXFWPES-KOLCDFICSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)NCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001392907504 888748844 /nfs/dbraw/zinc/74/88/44/888748844.db2.gz KYACYGFHQAZQKJ-SECBINFHSA-N 0 3 297.359 -1.568 20 0 CAADHN O=C(Cn1ncnn1)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001392908358 888749799 /nfs/dbraw/zinc/74/97/99/888749799.db2.gz PPWROOTWCCTZPB-VIFPVBQESA-N 0 3 293.331 -1.810 20 0 CAADHN CC[C@@H](C(=O)N(C)C1CN(CC(=O)NC(N)=O)C1)N(C)C ZINC001393022494 888751428 /nfs/dbraw/zinc/75/14/28/888751428.db2.gz RYCLPELHWHKODS-JTQLQIEISA-N 0 3 299.375 -1.336 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CN1CCCNC1=O ZINC001393045345 888754228 /nfs/dbraw/zinc/75/42/28/888754228.db2.gz HCTJYGMHJRCRTM-SNVBAGLBSA-N 0 3 297.359 -1.532 20 0 CAADHN Cc1c(C(=O)N2CCC[C@@H]2CNCC(N)=O)nnn1C ZINC001393037139 888754746 /nfs/dbraw/zinc/75/47/46/888754746.db2.gz OIOBJJZSXGAVID-SECBINFHSA-N 0 3 280.332 -1.197 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CCNC1=O ZINC001393051395 888756225 /nfs/dbraw/zinc/75/62/25/888756225.db2.gz YWDDJBVXUFRZKC-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN Cc1c(C(=O)N2CCC[C@H]2CNCC(N)=O)nnn1C ZINC001393037229 888754788 /nfs/dbraw/zinc/75/47/88/888754788.db2.gz OIOBJJZSXGAVID-VIFPVBQESA-N 0 3 280.332 -1.197 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CCNC1=O ZINC001393043661 888754978 /nfs/dbraw/zinc/75/49/78/888754978.db2.gz DFSKPVQJQWYXIC-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@]1(C(=O)N2CCC[C@@H]2CNCC(N)=O)CCNC(=O)C1 ZINC001393054992 888755082 /nfs/dbraw/zinc/75/50/82/888755082.db2.gz WCGFNXYDIUDTNK-YGRLFVJLSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@H]2CNCC(N)=O)CCNC(=O)C1 ZINC001393054983 888755296 /nfs/dbraw/zinc/75/52/96/888755296.db2.gz WCGFNXYDIUDTNK-IINYFYTJSA-N 0 3 296.371 -1.031 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001393040439 888755569 /nfs/dbraw/zinc/75/55/69/888755569.db2.gz GUCFFVXMFSJFKV-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN CC[C@H](C(=O)NC[C@H](C)NC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001393036707 888756114 /nfs/dbraw/zinc/75/61/14/888756114.db2.gz CFYGNTQVIBEODW-IVZWLZJFSA-N 0 3 299.375 -1.371 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1CNCC(=O)NC1CC1 ZINC001393035533 888756401 /nfs/dbraw/zinc/75/64/01/888756401.db2.gz ZUABLLXSBPOPKW-LBPRGKRZSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@@H]1CCNC1=O ZINC001393043673 888756427 /nfs/dbraw/zinc/75/64/27/888756427.db2.gz DFSKPVQJQWYXIC-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CCNC1=O ZINC001393051401 888756498 /nfs/dbraw/zinc/75/64/98/888756498.db2.gz YWDDJBVXUFRZKC-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CNC(=O)OC ZINC001393031508 888756669 /nfs/dbraw/zinc/75/66/69/888756669.db2.gz BEDLHUUQUUMGKD-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001393035091 888756705 /nfs/dbraw/zinc/75/67/05/888756705.db2.gz ZKTCLYBKTVBJCM-RYUDHWBXSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)c1ncn(C)n1)C(N)=O ZINC001393044871 888756874 /nfs/dbraw/zinc/75/68/74/888756874.db2.gz RQMLNMONYSJFOJ-BDAKNGLRSA-N 0 3 280.332 -1.117 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CCOC2)CCOCC1 ZINC001393214280 888758796 /nfs/dbraw/zinc/75/87/96/888758796.db2.gz JTEICQHEGAYNQF-JTQLQIEISA-N 0 3 285.344 -1.237 20 0 CAADHN Cn1cnc(C(=O)NCC2(NCC(N)=O)CCOCC2)c1 ZINC001393212214 888758573 /nfs/dbraw/zinc/75/85/73/888758573.db2.gz NDZUYJVVHUWUCW-UHFFFAOYSA-N 0 3 295.343 -1.226 20 0 CAADHN Cn1cncc1C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001393221680 888758758 /nfs/dbraw/zinc/75/87/58/888758758.db2.gz UIPNUAVPAWRNFD-UHFFFAOYSA-N 0 3 295.343 -1.226 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001393248235 888761920 /nfs/dbraw/zinc/76/19/20/888761920.db2.gz OGTCNGYACQMDBY-BXUZGUMPSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@H]1CCNC(=O)C1 ZINC001393246145 888762427 /nfs/dbraw/zinc/76/24/27/888762427.db2.gz DHULKOJMRSTHRJ-GXFFZTMASA-N 0 3 285.344 -1.942 20 0 CAADHN CC(=O)NC[C@]1(O)CCN(C[C@H](O)CN2CCCC2=O)C1 ZINC001393246692 888762666 /nfs/dbraw/zinc/76/26/66/888762666.db2.gz ZVGKJEBENCGDSI-GXTWGEPZSA-N 0 3 299.371 -1.457 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@H]1CCNC(=O)C1 ZINC001393246089 888763203 /nfs/dbraw/zinc/76/32/03/888763203.db2.gz DHULKOJMRSTHRJ-GWCFXTLKSA-N 0 3 285.344 -1.942 20 0 CAADHN C[C@H](CC(=O)NC[C@@]1(O)CCN(CCO)C1)NC(N)=O ZINC001393249258 888764248 /nfs/dbraw/zinc/76/42/48/888764248.db2.gz LLXKJBWWNIGLGW-SKDRFNHKSA-N 0 3 288.348 -2.021 20 0 CAADHN COC[C@H](O)CN1CC[C@@](O)(CNC(=O)c2ccon2)C1 ZINC001393235737 888764414 /nfs/dbraw/zinc/76/44/14/888764414.db2.gz LSTYZOFPRPHOKW-ZWNOBZJWSA-N 0 3 299.327 -1.152 20 0 CAADHN COC[C@@H](O)CN1CC[C@@](O)(CNC(=O)c2ccon2)C1 ZINC001393235722 888764751 /nfs/dbraw/zinc/76/47/51/888764751.db2.gz LSTYZOFPRPHOKW-GXFFZTMASA-N 0 3 299.327 -1.152 20 0 CAADHN C[C@H](CC(=O)NC[C@]1(O)CCN(CCO)C1)NC(N)=O ZINC001393249240 888765091 /nfs/dbraw/zinc/76/50/91/888765091.db2.gz LLXKJBWWNIGLGW-BXKDBHETSA-N 0 3 288.348 -2.021 20 0 CAADHN CNC(=O)NCC(=O)NC[C@]1(O)CCN(CCOC)C1 ZINC001393253454 888766050 /nfs/dbraw/zinc/76/60/50/888766050.db2.gz MTBVTEOZPQQUMW-GFCCVEGCSA-N 0 3 288.348 -1.885 20 0 CAADHN O=C(C[C@H]1CCOC1)NC[C@]1(O)CCN(CCO)C1 ZINC001393276808 888766972 /nfs/dbraw/zinc/76/69/72/888766972.db2.gz OBKYLFILJQXTLY-DGCLKSJQSA-N 0 3 272.345 -1.042 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@@]1(O)CCN(CCO)C1 ZINC001393251050 888767201 /nfs/dbraw/zinc/76/72/01/888767201.db2.gz JTPVBWQMVMKSBY-ZDUSSCGKSA-N 0 3 272.345 -1.163 20 0 CAADHN Cc1nccc(C(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001393281390 888767655 /nfs/dbraw/zinc/76/76/55/888767655.db2.gz MRAPFKLTFGDXGJ-ZDUSSCGKSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1nccc(C(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001393281388 888768014 /nfs/dbraw/zinc/76/80/14/888768014.db2.gz MRAPFKLTFGDXGJ-CYBMUJFWSA-N 0 3 280.328 -1.056 20 0 CAADHN C[C@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001393253402 888768140 /nfs/dbraw/zinc/76/81/40/888768140.db2.gz UWJNBLBKXWUHAZ-ZANVPECISA-N 0 3 296.327 -1.270 20 0 CAADHN C[C@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001393253402 888768154 /nfs/dbraw/zinc/76/81/54/888768154.db2.gz UWJNBLBKXWUHAZ-ZANVPECISA-N 0 3 296.327 -1.270 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001393275312 888768349 /nfs/dbraw/zinc/76/83/49/888768349.db2.gz MSDNTAWXVGNITI-AAEUAGOBSA-N 0 3 287.360 -1.554 20 0 CAADHN C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001393253396 888769659 /nfs/dbraw/zinc/76/96/59/888769659.db2.gz UWJNBLBKXWUHAZ-NOZJJQNGSA-N 0 3 296.327 -1.270 20 0 CAADHN C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001393253396 888769669 /nfs/dbraw/zinc/76/96/69/888769669.db2.gz UWJNBLBKXWUHAZ-NOZJJQNGSA-N 0 3 296.327 -1.270 20 0 CAADHN C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001393253397 888769706 /nfs/dbraw/zinc/76/97/06/888769706.db2.gz UWJNBLBKXWUHAZ-RNCFNFMXSA-N 0 3 296.327 -1.270 20 0 CAADHN C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001393253397 888769715 /nfs/dbraw/zinc/76/97/15/888769715.db2.gz UWJNBLBKXWUHAZ-RNCFNFMXSA-N 0 3 296.327 -1.270 20 0 CAADHN CCn1cc(CC(=O)NC[C@@]2(O)CCN(CCO)C2)cn1 ZINC001393286048 888773220 /nfs/dbraw/zinc/77/32/20/888773220.db2.gz RKEAPERTTCVPTN-AWEZNQCLSA-N 0 3 296.371 -1.009 20 0 CAADHN C[C@@H](C(N)=O)N1CC(O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001393315889 888776135 /nfs/dbraw/zinc/77/61/35/888776135.db2.gz IXJRZOCZFMOLBB-JTQLQIEISA-N 0 3 298.387 -1.493 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCC1(O)CN([C@H](C)C(N)=O)C1 ZINC001393355523 888781496 /nfs/dbraw/zinc/78/14/96/888781496.db2.gz MOZGZMWEJKTEEQ-SECBINFHSA-N 0 3 295.343 -1.703 20 0 CAADHN CCn1nccc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001393452041 888784772 /nfs/dbraw/zinc/78/47/72/888784772.db2.gz BQODNNVPDNQNHD-SNVBAGLBSA-N 0 3 297.359 -1.199 20 0 CAADHN O=C(c1cc[nH]c1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001393461383 888785080 /nfs/dbraw/zinc/78/50/80/888785080.db2.gz UGCZULGDXVRCSH-LLVKDONJSA-N 0 3 280.328 -1.073 20 0 CAADHN O=C([C@H]1CCOC1)N(CCO)CCN[C@H]1CCNC1=O ZINC001393458587 888785228 /nfs/dbraw/zinc/78/52/28/888785228.db2.gz GTENKRDZPBJWCI-QWRGUYRKSA-N 0 3 285.344 -1.678 20 0 CAADHN O=C(c1cc[nH]c1)N(CCO)CCN[C@H]1CCNC1=O ZINC001393461390 888785837 /nfs/dbraw/zinc/78/58/37/888785837.db2.gz UGCZULGDXVRCSH-NSHDSACASA-N 0 3 280.328 -1.073 20 0 CAADHN CNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001393390392 888785865 /nfs/dbraw/zinc/78/58/65/888785865.db2.gz ONHZZEQQUNPCIA-BDAKNGLRSA-N 0 3 280.332 -1.009 20 0 CAADHN Cc1ncoc1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001393458532 888786104 /nfs/dbraw/zinc/78/61/04/888786104.db2.gz OCOOPVUBEYTFTC-SECBINFHSA-N 0 3 284.316 -1.119 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ccccn1)C(N)=O ZINC001393456120 888786321 /nfs/dbraw/zinc/78/63/21/888786321.db2.gz CZELVVFLRWMYGZ-SNVBAGLBSA-N 0 3 280.328 -1.021 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)Cn1cnnn1 ZINC001393465871 888787124 /nfs/dbraw/zinc/78/71/24/888787124.db2.gz QLHHOPKDLOYHKD-SECBINFHSA-N 0 3 299.335 -2.782 20 0 CAADHN Cc1cnn(CC(=O)N(CCO)CCN[C@@H](C)C(N)=O)c1 ZINC001393456429 888787449 /nfs/dbraw/zinc/78/74/49/888787449.db2.gz DQBZQQPWZJGXIM-NSHDSACASA-N 0 3 297.359 -1.524 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H]1CCOC1)C(N)=O ZINC001393458111 888787609 /nfs/dbraw/zinc/78/76/09/888787609.db2.gz FLXXHDPAKWNKGF-ZJUUUORDSA-N 0 3 273.333 -1.693 20 0 CAADHN Cc1ccc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)nn1 ZINC001393458181 888787623 /nfs/dbraw/zinc/78/76/23/888787623.db2.gz NCNRGMYOQHBEGS-JTQLQIEISA-N 0 3 295.343 -1.317 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cnccn1 ZINC001393468249 888789951 /nfs/dbraw/zinc/78/99/51/888789951.db2.gz VSFXBDAVRFIURZ-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1ccncn1)C(N)=O ZINC001393470416 888790461 /nfs/dbraw/zinc/79/04/61/888790461.db2.gz SIVQPUFHUTXOGQ-SNVBAGLBSA-N 0 3 295.343 -1.235 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1ccn(C)n1)C(N)=O ZINC001393477020 888791129 /nfs/dbraw/zinc/79/11/29/888791129.db2.gz DITKFDUPZLNIMZ-JTQLQIEISA-N 0 3 297.359 -1.292 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C[C@@H]1CCCO1)C(N)=O ZINC001393468211 888791154 /nfs/dbraw/zinc/79/11/54/888791154.db2.gz USPMTJQSHPGMCU-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cnccn1 ZINC001393468248 888791422 /nfs/dbraw/zinc/79/14/22/888791422.db2.gz VSFXBDAVRFIURZ-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CC(=O)N(C)C2)CCC1 ZINC001393549136 888793256 /nfs/dbraw/zinc/79/32/56/888793256.db2.gz ZFBRBXRVFQMRND-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CNC(=O)N2)CCO1 ZINC001393582348 888793302 /nfs/dbraw/zinc/79/33/02/888793302.db2.gz FJCXZAFIJYCVBE-RKDXNWHRSA-N 0 3 299.331 -2.769 20 0 CAADHN CC[C@@H](NC[C@@H]1CN(C(=O)COC)CCO1)C(N)=O ZINC001393570875 888793384 /nfs/dbraw/zinc/79/33/84/888793384.db2.gz QCPYGGKGIPRVKY-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN Cc1cnn(C)c1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001393573862 888793417 /nfs/dbraw/zinc/79/34/17/888793417.db2.gz FLJAQCTYALYWQQ-SNVBAGLBSA-N 0 3 295.343 -1.356 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2ccnn2C)CCO1)C(N)=O ZINC001393584401 888793440 /nfs/dbraw/zinc/79/34/40/888793440.db2.gz QVPRVNUMWXTXSR-NXEZZACHSA-N 0 3 295.343 -1.276 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001393581771 888793814 /nfs/dbraw/zinc/79/38/14/888793814.db2.gz OBXSGTFODVIXKR-SECBINFHSA-N 0 3 281.316 -1.414 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001393582345 888793938 /nfs/dbraw/zinc/79/39/38/888793938.db2.gz FJCXZAFIJYCVBE-IUCAKERBSA-N 0 3 299.331 -2.769 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)CC2(O)CCC2)CCO1)C(N)=O ZINC001393577414 888794045 /nfs/dbraw/zinc/79/40/45/888794045.db2.gz ISSMDPZBXCCNIR-QWRGUYRKSA-N 0 3 299.371 -1.018 20 0 CAADHN CCn1nncc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001393582045 888794119 /nfs/dbraw/zinc/79/41/19/888794119.db2.gz TVAUKIRXQKJGKD-SECBINFHSA-N 0 3 296.331 -1.786 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)C2CCOCC2)CCO1 ZINC001393571527 888794173 /nfs/dbraw/zinc/79/41/73/888794173.db2.gz MJHACZAFCHSBEO-LBPRGKRZSA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)CCC1 ZINC001393552769 888794223 /nfs/dbraw/zinc/79/42/23/888794223.db2.gz WYCXVSHOYYNUEB-RKDXNWHRSA-N 0 3 282.344 -1.388 20 0 CAADHN CN1CCO[C@H](C(=O)NCC2(NCC(N)=O)CCC2)C1 ZINC001393547227 888794546 /nfs/dbraw/zinc/79/45/46/888794546.db2.gz SFULSWRCKREJDB-JTQLQIEISA-N 0 3 284.360 -1.569 20 0 CAADHN COCCC(=O)N1CCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001393570101 888794571 /nfs/dbraw/zinc/79/45/71/888794571.db2.gz LXITUVPRHYMJFV-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN Cc1cnoc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001393580116 888795009 /nfs/dbraw/zinc/79/50/09/888795009.db2.gz DFWJOXHPOIENKD-SECBINFHSA-N 0 3 282.300 -1.101 20 0 CAADHN Cn1cc(C(=O)NCC2(NCC(N)=O)CCC2)n(C)c1=O ZINC001393570403 888795338 /nfs/dbraw/zinc/79/53/38/888795338.db2.gz QXOOHDDBELCHKV-UHFFFAOYSA-N 0 3 295.343 -1.549 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)COC)CCO1 ZINC001393571594 888795747 /nfs/dbraw/zinc/79/57/47/888795747.db2.gz UUZCZACDTGBWIM-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN CNC(=O)CNC1(CNC(=O)Cn2ncnn2)CCC1 ZINC001393540550 888795822 /nfs/dbraw/zinc/79/58/22/888795822.db2.gz HOQRLBPNXKQEAN-UHFFFAOYSA-N 0 3 281.320 -1.952 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001393570723 888795992 /nfs/dbraw/zinc/79/59/92/888795992.db2.gz IZYDZOLDROQAEO-SNVBAGLBSA-N 0 3 299.327 -1.562 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)CCC1 ZINC001393552766 888796189 /nfs/dbraw/zinc/79/61/89/888796189.db2.gz WYCXVSHOYYNUEB-IUCAKERBSA-N 0 3 282.344 -1.388 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)Cc2ncc[nH]2)CCO1 ZINC001393582563 888796270 /nfs/dbraw/zinc/79/62/70/888796270.db2.gz IYYYOCQGXAZIAT-SNVBAGLBSA-N 0 3 295.343 -1.485 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)CC2(O)CCC2)CCO1)C(N)=O ZINC001393577412 888796405 /nfs/dbraw/zinc/79/64/05/888796405.db2.gz ISSMDPZBXCCNIR-GHMZBOCLSA-N 0 3 299.371 -1.018 20 0 CAADHN Cn1cncc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001393574981 888796690 /nfs/dbraw/zinc/79/66/90/888796690.db2.gz KCADWYCFAUKXHI-VIFPVBQESA-N 0 3 281.316 -1.664 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2ccnn2C)CCO1)C(N)=O ZINC001393584409 888796835 /nfs/dbraw/zinc/79/68/35/888796835.db2.gz QVPRVNUMWXTXSR-VHSXEESVSA-N 0 3 295.343 -1.276 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cccnn2)CCO1 ZINC001393591097 888799814 /nfs/dbraw/zinc/79/98/14/888799814.db2.gz VCXDLAIECNBHIX-JTQLQIEISA-N 0 3 293.327 -1.347 20 0 CAADHN C[C@@H](CCNC(=O)Cc1nnc[n-]1)[NH2+][C@@H]1CCNC1=O ZINC001393824910 888801965 /nfs/dbraw/zinc/80/19/65/888801965.db2.gz WXXHDGURDYWENT-DTWKUNHWSA-N 0 3 280.332 -1.280 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)c2ncc[nH]2)CC1 ZINC001393771406 888802367 /nfs/dbraw/zinc/80/23/67/888802367.db2.gz MPCWUGSNUJPKJA-UHFFFAOYSA-N 0 3 295.343 -1.288 20 0 CAADHN CCNC(=O)CNCC1(O)CCN(C(=O)COC)CC1 ZINC001393763556 888802591 /nfs/dbraw/zinc/80/25/91/888802591.db2.gz CGRTXUXCWAOIPI-UHFFFAOYSA-N 0 3 287.360 -1.288 20 0 CAADHN C[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1NCC(N)=O ZINC001393739166 888803155 /nfs/dbraw/zinc/80/31/55/888803155.db2.gz HDDJQZBRMPEQFN-IUCAKERBSA-N 0 3 270.333 -1.436 20 0 CAADHN C[C@H](NCC1(O)CCN(C(=O)c2cn[nH]c2)CC1)C(N)=O ZINC001393763230 888803458 /nfs/dbraw/zinc/80/34/58/888803458.db2.gz MSYNIEONEHQEJX-VIFPVBQESA-N 0 3 295.343 -1.160 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)c2cc[nH]n2)CC1 ZINC001393764186 888803631 /nfs/dbraw/zinc/80/36/31/888803631.db2.gz PQVXITBYUWQNKE-UHFFFAOYSA-N 0 3 295.343 -1.288 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@@H]1C ZINC001393728772 888803993 /nfs/dbraw/zinc/80/39/93/888803993.db2.gz JIBHCVUPCGCKFL-WPRPVWTQSA-N 0 3 293.327 -1.022 20 0 CAADHN CNC(=O)CCCC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001393742135 888804861 /nfs/dbraw/zinc/80/48/61/888804861.db2.gz MSYGPSQITAWPHK-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN COCCC(=O)N1CCC(O)(CN[C@H](C)C(N)=O)CC1 ZINC001393766786 888805309 /nfs/dbraw/zinc/80/53/09/888805309.db2.gz OABDNLBIJREMRC-SNVBAGLBSA-N 0 3 287.360 -1.160 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1nccnc1N ZINC001393918106 888807206 /nfs/dbraw/zinc/80/72/06/888807206.db2.gz HYQKKMNMAWQHHL-SFYZADRCSA-N 0 3 280.332 -1.099 20 0 CAADHN NC(=O)NCCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001393851828 888807490 /nfs/dbraw/zinc/80/74/90/888807490.db2.gz DLIWWYDJHRMMPW-UHFFFAOYSA-N 0 3 288.348 -2.020 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)c2nnn(C)n2)CC1 ZINC001393840761 888807579 /nfs/dbraw/zinc/80/75/79/888807579.db2.gz BIPKPNOEMXOMKM-SECBINFHSA-N 0 3 298.347 -1.852 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(CCCO)CC1 ZINC001393848091 888808986 /nfs/dbraw/zinc/80/89/86/888808986.db2.gz ZBHOIHORDJCOFL-MNOVXSKESA-N 0 3 299.371 -1.567 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001393959336 888810422 /nfs/dbraw/zinc/81/04/22/888810422.db2.gz BULLOUKCIJHZMM-JGVFFNPUSA-N 0 3 281.316 -1.388 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001393959338 888810589 /nfs/dbraw/zinc/81/05/89/888810589.db2.gz BULLOUKCIJHZMM-YUMQZZPRSA-N 0 3 281.316 -1.388 20 0 CAADHN C[C@@H](NC(=O)CCN1CCCC1=O)[C@H](C)NCC(N)=O ZINC001393990439 888810836 /nfs/dbraw/zinc/81/08/36/888810836.db2.gz CHYFRLOTDBVREW-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001393950108 888810918 /nfs/dbraw/zinc/81/09/18/888810918.db2.gz MDQHNEWPNAFPRD-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)NCC(=O)NC ZINC001394003963 888811052 /nfs/dbraw/zinc/81/10/52/888811052.db2.gz PAVGBXKAEKQWOM-DTWKUNHWSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001393976851 888811321 /nfs/dbraw/zinc/81/13/21/888811321.db2.gz RURKYDZEKSJXBJ-HTFKAIDBSA-N 0 3 298.343 -1.444 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC ZINC001394004018 888811412 /nfs/dbraw/zinc/81/14/12/888811412.db2.gz PAVGBXKAEKQWOM-RKDXNWHRSA-N 0 3 293.389 -1.350 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC ZINC001394003948 888811432 /nfs/dbraw/zinc/81/14/32/888811432.db2.gz PAVGBXKAEKQWOM-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN CC[C@H](C(=O)N(C)C1CN(C(=O)CNC(N)=O)C1)N(C)C ZINC001394030865 888811445 /nfs/dbraw/zinc/81/14/45/888811445.db2.gz VAZZYXUQCGXZRT-SNVBAGLBSA-N 0 3 299.375 -1.336 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCN1CCCC1=O ZINC001393990454 888811456 /nfs/dbraw/zinc/81/14/56/888811456.db2.gz CHYFRLOTDBVREW-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CCCNC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001393950124 888811468 /nfs/dbraw/zinc/81/14/68/888811468.db2.gz MDQHNEWPNAFPRD-ZJUUUORDSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC2N=NC(=O)N2C1)N(C)CCO ZINC001394076942 888813588 /nfs/dbraw/zinc/81/35/88/888813588.db2.gz DHBKMQUWWLQEQS-UWVGGRQHSA-N 0 3 297.359 -1.025 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@H](C)N(C)CCO ZINC001394065873 888813836 /nfs/dbraw/zinc/81/38/36/888813836.db2.gz IUIILIKYXVUAFI-JTQLQIEISA-N 0 3 275.349 -1.480 20 0 CAADHN COCCN(C)[C@H](C)CNC(=O)Cn1cnc(C(N)=O)n1 ZINC001394063682 888814839 /nfs/dbraw/zinc/81/48/39/888814839.db2.gz WPNWBUHZGHHZGK-SECBINFHSA-N 0 3 298.347 -1.540 20 0 CAADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)N(C)CCO ZINC001394076991 888814869 /nfs/dbraw/zinc/81/48/69/888814869.db2.gz DIOUXLXFZGPBPY-SECBINFHSA-N 0 3 271.321 -1.989 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)CNC(C)=O ZINC001394456394 888829502 /nfs/dbraw/zinc/82/95/02/888829502.db2.gz GFQXLIFSZWVFER-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)CCn1cncn1 ZINC001394131620 888818187 /nfs/dbraw/zinc/81/81/87/888818187.db2.gz ZSFGKDPDNALZDH-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CCCC[C@@H](CNCC(=O)NC)NC(=O)[C@H]1CNC(=O)N1 ZINC001394203664 888821858 /nfs/dbraw/zinc/82/18/58/888821858.db2.gz IIWRUJMODFSNGU-VHSXEESVSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)Cc2cnoc2)CCO1 ZINC001394330164 888824969 /nfs/dbraw/zinc/82/49/69/888824969.db2.gz JVRYFPQRRLGLLA-GXSJLCMTSA-N 0 3 296.327 -1.092 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001394334575 888824994 /nfs/dbraw/zinc/82/49/94/888824994.db2.gz IFIGJSFHXNUFPX-RKDXNWHRSA-N 0 3 296.331 -1.881 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)Cc2cnoc2)CCO1 ZINC001394330167 888826489 /nfs/dbraw/zinc/82/64/89/888826489.db2.gz JVRYFPQRRLGLLA-KOLCDFICSA-N 0 3 296.327 -1.092 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001394334559 888826770 /nfs/dbraw/zinc/82/67/70/888826770.db2.gz IFIGJSFHXNUFPX-BDAKNGLRSA-N 0 3 296.331 -1.881 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001394329002 888827173 /nfs/dbraw/zinc/82/71/73/888827173.db2.gz CXNIANNPWDUHHK-WPRPVWTQSA-N 0 3 281.316 -1.286 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001394328971 888827277 /nfs/dbraw/zinc/82/72/77/888827277.db2.gz CXNIANNPWDUHHK-PSASIEDQSA-N 0 3 281.316 -1.286 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001394329000 888827354 /nfs/dbraw/zinc/82/73/54/888827354.db2.gz CXNIANNPWDUHHK-WCBMZHEXSA-N 0 3 281.316 -1.286 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001394492935 888828392 /nfs/dbraw/zinc/82/83/92/888828392.db2.gz HRQRBCIWFOKXBO-BDAKNGLRSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)NCC(N)=O ZINC001394507313 888828683 /nfs/dbraw/zinc/82/86/83/888828683.db2.gz IARDNYIVBKLZBR-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CN(C)C(=O)c1nnn(C)n1)N[C@H](C)C(=O)N(C)C ZINC001394509118 888829014 /nfs/dbraw/zinc/82/90/14/888829014.db2.gz SZXJKLHDRDYJNP-RKDXNWHRSA-N 0 3 297.363 -1.263 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)NCC(N)=O ZINC001394498777 888829068 /nfs/dbraw/zinc/82/90/68/888829068.db2.gz ADCYKKFUHKLLIG-MRVPVSSYSA-N 0 3 297.315 -2.129 20 0 CAADHN C[C@@H](CN(C)C(=O)COCc1ccnn1C)NCC(N)=O ZINC001394493398 888829119 /nfs/dbraw/zinc/82/91/19/888829119.db2.gz GFXQUEVLLOTDPH-JTQLQIEISA-N 0 3 297.359 -1.142 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NCC(=O)NC(N)=O ZINC001394458321 888829407 /nfs/dbraw/zinc/82/94/07/888829407.db2.gz CWAPYAWKTNBPNN-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](CN(C)C(=O)C1=CCOCC1)NCC(=O)NC(N)=O ZINC001394469307 888829616 /nfs/dbraw/zinc/82/96/16/888829616.db2.gz QQVHVBMCAIDIOH-VIFPVBQESA-N 0 3 298.343 -1.036 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cnnn1)N[C@H]1CCCNC1=O ZINC001394470920 888829655 /nfs/dbraw/zinc/82/96/55/888829655.db2.gz XQWXSTPBPQTYIQ-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CN(C(=O)[C@H]1CCC(=O)NC1)[C@H](CNCC(N)=O)C1CC1 ZINC001394429747 888829830 /nfs/dbraw/zinc/82/98/30/888829830.db2.gz GPDBXPPRLBPBCL-WDEREUQCSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001394492940 888829975 /nfs/dbraw/zinc/82/99/75/888829975.db2.gz HRQRBCIWFOKXBO-DTWKUNHWSA-N 0 3 293.389 -1.398 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CS(C)(=O)=O ZINC001394484710 888830098 /nfs/dbraw/zinc/83/00/98/888830098.db2.gz YUTMXTBSKOJCMR-IUCAKERBSA-N 0 3 293.389 -1.398 20 0 CAADHN CC[C@@H](N[C@H](C)CN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001394507682 888830713 /nfs/dbraw/zinc/83/07/13/888830713.db2.gz RBGMVROAAFBVKT-HTQZYQBOSA-N 0 3 283.336 -1.476 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001394492941 888830817 /nfs/dbraw/zinc/83/08/17/888830817.db2.gz HRQRBCIWFOKXBO-IUCAKERBSA-N 0 3 293.389 -1.398 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1cnc[n-]c1=O ZINC001394494086 888831084 /nfs/dbraw/zinc/83/10/84/888831084.db2.gz GVSPINMTWNDURJ-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN CN(C(=O)[C@H]1CN(C)CCO1)[C@@H](CNCC(N)=O)C1CC1 ZINC001394429275 888832071 /nfs/dbraw/zinc/83/20/71/888832071.db2.gz QPRSOKJIXZMSBM-NWDGAFQWSA-N 0 3 298.387 -1.371 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cc(C(N)=O)ccn1)NCC(N)=O ZINC001394563700 888833287 /nfs/dbraw/zinc/83/32/87/888833287.db2.gz SOIAJQCWGHPOCN-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)CN1CCCNC1=O)C(N)=O ZINC001394516715 888833430 /nfs/dbraw/zinc/83/34/30/888833430.db2.gz ZHDALIJZGUAHOT-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN O=C(NC[C@@H](CO)NC[C@H](O)CN1CCCC1=O)C1CC1 ZINC001394565296 888833526 /nfs/dbraw/zinc/83/35/26/888833526.db2.gz PAVJKRHZHAPEQO-RYUDHWBXSA-N 0 3 299.371 -1.554 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cncn1)N[C@@H]1CCN(C)C1=O ZINC001394558148 888833651 /nfs/dbraw/zinc/83/36/51/888833651.db2.gz VDSFCVOWNIKLTJ-GHMZBOCLSA-N 0 3 294.359 -1.055 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cncn1)N[C@@H]1CCN(C)C1=O ZINC001394558168 888833890 /nfs/dbraw/zinc/83/38/90/888833890.db2.gz VDSFCVOWNIKLTJ-WDEREUQCSA-N 0 3 294.359 -1.055 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001394552504 888835250 /nfs/dbraw/zinc/83/52/50/888835250.db2.gz IKFJTZOYJCEWBU-DTWKUNHWSA-N 0 3 287.364 -1.255 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCCNC1=O)N[C@@H](C)C(N)=O ZINC001394516718 888835642 /nfs/dbraw/zinc/83/56/42/888835642.db2.gz ZHDALIJZGUAHOT-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN CC(C)c1nnnn1CC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001394547816 888836627 /nfs/dbraw/zinc/83/66/27/888836627.db2.gz OQCHWSZJSJXTCF-VIFPVBQESA-N 0 3 297.363 -1.282 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cccnn1)NCC(=O)NC(N)=O ZINC001394532290 888836831 /nfs/dbraw/zinc/83/68/31/888836831.db2.gz MIUSBHUWIDTZHX-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001394570195 888839084 /nfs/dbraw/zinc/83/90/84/888839084.db2.gz YNWSRSNKOKBZDL-DTWKUNHWSA-N 0 3 297.359 -1.352 20 0 CAADHN O=C(C[C@H]1CCCO1)NC[C@H](CO)NCCn1cncn1 ZINC001394577766 888842435 /nfs/dbraw/zinc/84/24/35/888842435.db2.gz ZVURDGOSRGANFV-VXGBXAGGSA-N 0 3 297.359 -1.086 20 0 CAADHN Cn1nccc1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001394576746 888842498 /nfs/dbraw/zinc/84/24/98/888842498.db2.gz NRVHDMAADRKINW-JTQLQIEISA-N 0 3 293.331 -1.608 20 0 CAADHN O=C(C[C@@H]1CCCO1)NC[C@H](CO)NCCn1cncn1 ZINC001394577760 888843262 /nfs/dbraw/zinc/84/32/62/888843262.db2.gz ZVURDGOSRGANFV-NEPJUHHUSA-N 0 3 297.359 -1.086 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](CO)NCc1ccn(C)c(=O)c1 ZINC001394577968 888843754 /nfs/dbraw/zinc/84/37/54/888843754.db2.gz QTJARIZXTOWLKV-CMPLNLGQSA-N 0 3 297.355 -1.013 20 0 CAADHN Cc1nnc(CN[C@@H](CO)CNC(=O)[C@@H]2CCCN2C)[nH]1 ZINC001394579000 888844876 /nfs/dbraw/zinc/84/48/76/888844876.db2.gz NBLOGUYYOZZFIA-MNOVXSKESA-N 0 3 296.375 -1.226 20 0 CAADHN COC[C@@H](C)N[C@@H](CO)CNC(=O)CS(C)(=O)=O ZINC001394582093 888847307 /nfs/dbraw/zinc/84/73/07/888847307.db2.gz ZQHUWIOUAQGWAH-RKDXNWHRSA-N 0 3 282.362 -1.867 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001394581281 888849995 /nfs/dbraw/zinc/84/99/95/888849995.db2.gz NNZUKKIZUUCVRI-GHMZBOCLSA-N 0 3 285.348 -1.638 20 0 CAADHN Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H](CO)[NH2+]CCO ZINC001394601877 888856177 /nfs/dbraw/zinc/85/61/77/888856177.db2.gz GWBVVHZEYVQGDY-JTQLQIEISA-N 0 3 298.343 -1.518 20 0 CAADHN Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H](CO)[NH2+]CCO ZINC001394601880 888856857 /nfs/dbraw/zinc/85/68/57/888856857.db2.gz GWBVVHZEYVQGDY-SNVBAGLBSA-N 0 3 298.343 -1.518 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@H](CO)NCc2cnon2)C1 ZINC001394632836 888866482 /nfs/dbraw/zinc/86/64/82/888866482.db2.gz IPOHYRFOCZNBPR-ZYHUDNBSSA-N 0 3 297.359 -1.022 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)CN1CCCC1 ZINC001394653451 888873176 /nfs/dbraw/zinc/87/31/76/888873176.db2.gz NSLUVNUDFKGQNX-GHMZBOCLSA-N 0 3 286.376 -1.717 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)CN1CCCC1 ZINC001394653454 888876062 /nfs/dbraw/zinc/87/60/62/888876062.db2.gz NSLUVNUDFKGQNX-MNOVXSKESA-N 0 3 286.376 -1.717 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(=O)N(C)C)C[C@@H]1C ZINC001394673528 888877495 /nfs/dbraw/zinc/87/74/95/888877495.db2.gz LAGONCNHZKRJSH-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2nnn(C)n2)C1 ZINC001394693153 888877512 /nfs/dbraw/zinc/87/75/12/888877512.db2.gz RQBVCHPAGQMHBL-HTQZYQBOSA-N 0 3 281.320 -1.851 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)n2)[C@@H]1C ZINC001394664828 888877612 /nfs/dbraw/zinc/87/76/12/888877612.db2.gz CGBWMHIAYACPQH-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](NCC(=O)N(C)C)C[C@H]1C ZINC001394673533 888878171 /nfs/dbraw/zinc/87/81/71/888878171.db2.gz LAGONCNHZKRJSH-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2CCOCC2)[C@H]1C ZINC001394662319 888878483 /nfs/dbraw/zinc/87/84/83/888878483.db2.gz HITHXHOYJODUFM-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CNC(=O)C1CC1 ZINC001394662533 888878506 /nfs/dbraw/zinc/87/85/06/888878506.db2.gz IFRGSGDGNOWNEI-PSASIEDQSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCn2ccnn2)C1 ZINC001394689156 888878681 /nfs/dbraw/zinc/87/86/81/888878681.db2.gz WASSLCSRYXOJOT-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)OC)[C@H]1C ZINC001394663173 888878732 /nfs/dbraw/zinc/87/87/32/888878732.db2.gz LJKWTQUDTGOYLG-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001394682627 888879105 /nfs/dbraw/zinc/87/91/05/888879105.db2.gz ZZPAWKPEOMGUTO-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC001394684192 888879472 /nfs/dbraw/zinc/87/94/72/888879472.db2.gz YRCVLLTZGDNILS-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)NC)[C@@H]1C ZINC001394664040 888879669 /nfs/dbraw/zinc/87/96/69/888879669.db2.gz ODIUPRYXYXPEIE-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)Cn1ncnn1 ZINC001394662995 888879702 /nfs/dbraw/zinc/87/97/02/888879702.db2.gz KHROFNOTUKVEGT-ZJUUUORDSA-N 0 3 295.347 -1.660 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001394682623 888880263 /nfs/dbraw/zinc/88/02/63/888880263.db2.gz ZZPAWKPEOMGUTO-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCS(=O)(=O)CC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001394678752 888880614 /nfs/dbraw/zinc/88/06/14/888880614.db2.gz JQBPSOKPMMLAMD-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)Cn2cnnn2)C1 ZINC001394672176 888880655 /nfs/dbraw/zinc/88/06/55/888880655.db2.gz JIUWSXWVLYHLFG-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)Cn1cccn1)C(N)=O ZINC001394727913 888881454 /nfs/dbraw/zinc/88/14/54/888881454.db2.gz LJDOUBAFUPKQLE-WDEREUQCSA-N 0 3 297.359 -1.444 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cn[nH]c1 ZINC001394725637 888881489 /nfs/dbraw/zinc/88/14/89/888881489.db2.gz GCZNMKUTTSXTNA-ZJUUUORDSA-N 0 3 281.316 -1.679 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cn[nH]c1)C(N)=O ZINC001394724841 888881609 /nfs/dbraw/zinc/88/16/09/888881609.db2.gz CPKMIBYEJPQBJJ-ZJUUUORDSA-N 0 3 283.332 -1.304 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)COC(C)C ZINC001394728275 888881717 /nfs/dbraw/zinc/88/17/17/888881717.db2.gz DXMDZROMKXOGND-QWRGUYRKSA-N 0 3 289.376 -1.045 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)C1=CCOCC1 ZINC001394730899 888881864 /nfs/dbraw/zinc/88/18/64/888881864.db2.gz AVBHPBFOJLBJGJ-LBPRGKRZSA-N 0 3 299.371 -1.170 20 0 CAADHN Cc1ncc(C(=O)N(C)C[C@H](O)CNCC(N)=O)s1 ZINC001394729244 888882040 /nfs/dbraw/zinc/88/20/40/888882040.db2.gz HUPNXVJYUGIPII-MRVPVSSYSA-N 0 3 286.357 -1.041 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCCNC1=O)C(=O)C(F)F ZINC001394723842 888882599 /nfs/dbraw/zinc/88/25/99/888882599.db2.gz OJTLWIITZVQDKT-YUMQZZPRSA-N 0 3 279.287 -1.061 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)Cn1cccn1 ZINC001394730524 888883014 /nfs/dbraw/zinc/88/30/14/888883014.db2.gz WSDVUNLDUYIJHG-MNOVXSKESA-N 0 3 295.343 -1.820 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CN(C)C(=O)COC)C1=O ZINC001394728009 888883161 /nfs/dbraw/zinc/88/31/61/888883161.db2.gz VNBIAOOWILFGSV-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001394720379 888883526 /nfs/dbraw/zinc/88/35/26/888883526.db2.gz NMUCFVWYOLROPF-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCCNC1=O)C(=O)c1cocn1 ZINC001394727797 888883549 /nfs/dbraw/zinc/88/35/49/888883549.db2.gz CHKYIGBIJIQXLJ-UWVGGRQHSA-N 0 3 296.327 -1.024 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCCO1 ZINC001394720378 888884165 /nfs/dbraw/zinc/88/41/65/888884165.db2.gz NMUCFVWYOLROPF-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)[nH]n1 ZINC001394727983 888884244 /nfs/dbraw/zinc/88/42/44/888884244.db2.gz OAHXTCCPTRNPTK-WPRPVWTQSA-N 0 3 297.359 -1.132 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C(C)(F)F ZINC001394723711 888884276 /nfs/dbraw/zinc/88/42/76/888884276.db2.gz NILFPCMRLMKBLA-JGVFFNPUSA-N 0 3 279.287 -1.061 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCCO1 ZINC001394720381 888884980 /nfs/dbraw/zinc/88/49/80/888884980.db2.gz NMUCFVWYOLROPF-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001394730468 888885020 /nfs/dbraw/zinc/88/50/20/888885020.db2.gz VWZVUWGOOCBXAP-VIFPVBQESA-N 0 3 283.332 -1.432 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001394725888 888885155 /nfs/dbraw/zinc/88/51/55/888885155.db2.gz FWZHAXGIUHHWMC-JTQLQIEISA-N 0 3 283.332 -1.962 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)Cn1cccn1)C(N)=O ZINC001394727912 888885250 /nfs/dbraw/zinc/88/52/50/888885250.db2.gz LJDOUBAFUPKQLE-QWRGUYRKSA-N 0 3 297.359 -1.444 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cccn1C ZINC001394729772 888885297 /nfs/dbraw/zinc/88/52/97/888885297.db2.gz RFRUPZLDIFTYLF-JTQLQIEISA-N 0 3 282.344 -1.206 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C1CCOCC1 ZINC001394720409 888885322 /nfs/dbraw/zinc/88/53/22/888885322.db2.gz CERAGLAHBKCLBX-NSHDSACASA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C[C@H](C)OC ZINC001394727861 888885463 /nfs/dbraw/zinc/88/54/63/888885463.db2.gz DGXPGLDWYOBNLB-UWVGGRQHSA-N 0 3 275.349 -1.434 20 0 CAADHN CN(C[C@H](O)CNCc1ccnn1C)C(=O)c1cn[nH]n1 ZINC001394742548 888885985 /nfs/dbraw/zinc/88/59/85/888885985.db2.gz KXSZMSNQMCSUFK-SNVBAGLBSA-N 0 3 293.331 -1.239 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](O)CN[C@H]2CCNC2=O)c[nH]1 ZINC001394734306 888886270 /nfs/dbraw/zinc/88/62/70/888886270.db2.gz XGIMDQFZAJGXFQ-ZJUUUORDSA-N 0 3 295.343 -1.371 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001394735697 888886308 /nfs/dbraw/zinc/88/63/08/888886308.db2.gz OHOQDBIVIVSEHJ-JTQLQIEISA-N 0 3 283.332 -1.893 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnccn1 ZINC001394731216 888886359 /nfs/dbraw/zinc/88/63/59/888886359.db2.gz WVCZOBZXDRSCAM-VIFPVBQESA-N 0 3 281.316 -1.755 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)Cc1cc[nH]n1 ZINC001394733571 888886448 /nfs/dbraw/zinc/88/64/48/888886448.db2.gz GVVBNBPWUUCQRV-QWRGUYRKSA-N 0 3 295.343 -1.750 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001394746813 888886532 /nfs/dbraw/zinc/88/65/32/888886532.db2.gz IUPZCWOEJMGTIE-QMMMGPOBSA-N 0 3 297.315 -2.462 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CC(C)(C)O ZINC001394736414 888886611 /nfs/dbraw/zinc/88/66/11/888886611.db2.gz QRSVMSDGCRPRAT-VIFPVBQESA-N 0 3 275.349 -1.698 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001394748736 888886644 /nfs/dbraw/zinc/88/66/44/888886644.db2.gz XKLHQRYULPKLDJ-WYOJIJJFSA-N 0 3 271.317 -2.227 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)Cc1cc[nH]n1 ZINC001394733568 888886722 /nfs/dbraw/zinc/88/67/22/888886722.db2.gz GVVBNBPWUUCQRV-MNOVXSKESA-N 0 3 295.343 -1.750 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1ncc[nH]1)C(N)=O ZINC001394734483 888887542 /nfs/dbraw/zinc/88/75/42/888887542.db2.gz OMDCHICOUWOYFJ-IUCAKERBSA-N 0 3 283.332 -1.304 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394747235 888887665 /nfs/dbraw/zinc/88/76/65/888887665.db2.gz WRPBFFHFFOMOOQ-MRVPVSSYSA-N 0 3 284.320 -2.037 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1cncnc1 ZINC001394745575 888887820 /nfs/dbraw/zinc/88/78/20/888887820.db2.gz VESUMZMRPAIONP-NSHDSACASA-N 0 3 295.343 -1.697 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cnco1 ZINC001394748297 888887883 /nfs/dbraw/zinc/88/78/83/888887883.db2.gz VCVOKZJLBDLKCF-RKDXNWHRSA-N 0 3 284.316 -1.168 20 0 CAADHN C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1)C(=O)N(C)C ZINC001394750186 888887913 /nfs/dbraw/zinc/88/79/13/888887913.db2.gz ATOYXYOGZADNHJ-BDAKNGLRSA-N 0 3 298.347 -1.696 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)cn1 ZINC001394735703 888887986 /nfs/dbraw/zinc/88/79/86/888887986.db2.gz OMRVQHYQQYGEBZ-SNVBAGLBSA-N 0 3 283.332 -1.589 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)Cc1cc[nH]n1 ZINC001394733566 888888400 /nfs/dbraw/zinc/88/84/00/888888400.db2.gz GVVBNBPWUUCQRV-GHMZBOCLSA-N 0 3 295.343 -1.750 20 0 CAADHN CCn1ccc(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001394744230 888888427 /nfs/dbraw/zinc/88/84/27/888888427.db2.gz SXDWYGAPSTZIQB-NSHDSACASA-N 0 3 297.359 -1.660 20 0 CAADHN COC[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001394741761 888888828 /nfs/dbraw/zinc/88/88/28/888888828.db2.gz KCLGWTVHFGAPKN-DTWKUNHWSA-N 0 3 287.320 -2.166 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001394746805 888889004 /nfs/dbraw/zinc/88/90/04/888889004.db2.gz IUPZCWOEJMGTIE-MRVPVSSYSA-N 0 3 297.315 -2.462 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001394747239 888889265 /nfs/dbraw/zinc/88/92/65/888889265.db2.gz WRPBFFHFFOMOOQ-QMMMGPOBSA-N 0 3 284.320 -2.037 20 0 CAADHN CCOCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(=O)N(C)C ZINC001394731198 888889071 /nfs/dbraw/zinc/88/90/71/888889071.db2.gz WNFVZLDSGJOSDH-WDEREUQCSA-N 0 3 289.376 -1.092 20 0 CAADHN Cc1ccnc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001394735854 888889933 /nfs/dbraw/zinc/88/99/33/888889933.db2.gz PNIGBDQSASDQRY-SECBINFHSA-N 0 3 281.316 -1.707 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001394734624 888889732 /nfs/dbraw/zinc/88/97/32/888889732.db2.gz RJGLPGUOTLBZSJ-SNVBAGLBSA-N 0 3 281.316 -1.755 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1)C(N)=O ZINC001394733060 888889871 /nfs/dbraw/zinc/88/98/71/888889871.db2.gz GAMCVFAHFJOPAA-WCBMZHEXSA-N 0 3 283.332 -1.765 20 0 CAADHN CCc1nc[nH]c1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001394756198 888890560 /nfs/dbraw/zinc/89/05/60/888890560.db2.gz FEIKIFFFMDVVRK-QMMMGPOBSA-N 0 3 283.332 -1.520 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)[C@H]1CC12CC2 ZINC001394751170 888890944 /nfs/dbraw/zinc/89/09/44/888890944.db2.gz BHIGMVGKVIIICW-RKDXNWHRSA-N 0 3 298.343 -1.610 20 0 CAADHN Cc1cnoc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001394757234 888891244 /nfs/dbraw/zinc/89/12/44/888891244.db2.gz MJBIGASJICPFJO-BDAKNGLRSA-N 0 3 284.316 -1.121 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)[C@@H]1CC12CC2 ZINC001394751168 888891366 /nfs/dbraw/zinc/89/13/66/888891366.db2.gz BHIGMVGKVIIICW-IUCAKERBSA-N 0 3 298.343 -1.610 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@H](O)CNCC(N)=O)c(C)o1 ZINC001394754264 888891398 /nfs/dbraw/zinc/89/13/98/888891398.db2.gz PVVALRIAVYIYLY-SECBINFHSA-N 0 3 284.316 -1.201 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1nc(C)c[nH]1 ZINC001394752241 888891479 /nfs/dbraw/zinc/89/14/79/888891479.db2.gz BVOJLVNRJVWULC-VHSXEESVSA-N 0 3 297.359 -1.125 20 0 CAADHN CC[C@@H](F)C(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001394754993 888891652 /nfs/dbraw/zinc/89/16/52/888891652.db2.gz UWAGZYVCJDOCQL-JGVFFNPUSA-N 0 3 292.311 -1.662 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)CCCF ZINC001394750758 888891720 /nfs/dbraw/zinc/89/17/20/888891720.db2.gz KOUWHVKYJLUSGI-QMMMGPOBSA-N 0 3 292.311 -1.660 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001394750923 888892108 /nfs/dbraw/zinc/89/21/08/888892108.db2.gz GDLPITPPGOKYTJ-IUCAKERBSA-N 0 3 298.347 -1.899 20 0 CAADHN CC[C@@H](F)C(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001394754990 888892137 /nfs/dbraw/zinc/89/21/37/888892137.db2.gz UWAGZYVCJDOCQL-HTQZYQBOSA-N 0 3 292.311 -1.662 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001394750922 888892286 /nfs/dbraw/zinc/89/22/86/888892286.db2.gz GDLPITPPGOKYTJ-DTWKUNHWSA-N 0 3 298.347 -1.899 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001394750932 888892560 /nfs/dbraw/zinc/89/25/60/888892560.db2.gz GDLPITPPGOKYTJ-RKDXNWHRSA-N 0 3 298.347 -1.899 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001394750895 888892649 /nfs/dbraw/zinc/89/26/49/888892649.db2.gz GDLPITPPGOKYTJ-BDAKNGLRSA-N 0 3 298.347 -1.899 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nonc1C ZINC001394765802 888892684 /nfs/dbraw/zinc/89/26/84/888892684.db2.gz SNROZMRDSPUUCV-MRVPVSSYSA-N 0 3 285.304 -1.853 20 0 CAADHN C[C@H](CC(=O)N(C)C[C@H](O)CNCC(N)=O)n1cccn1 ZINC001394753502 888893041 /nfs/dbraw/zinc/89/30/41/888893041.db2.gz GDVZNIZWXUFFGN-GHMZBOCLSA-N 0 3 297.359 -1.272 20 0 CAADHN CCCn1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)nn1 ZINC001394757418 888893300 /nfs/dbraw/zinc/89/33/00/888893300.db2.gz MZLPHHUUVIEZPE-VIFPVBQESA-N 0 3 298.347 -1.804 20 0 CAADHN C[C@@H](CC(=O)N(C)C[C@@H](O)CNCC(N)=O)n1cccn1 ZINC001394753506 888893585 /nfs/dbraw/zinc/89/35/85/888893585.db2.gz GDVZNIZWXUFFGN-QWRGUYRKSA-N 0 3 297.359 -1.272 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1oncc1C ZINC001394760754 888893653 /nfs/dbraw/zinc/89/36/53/888893653.db2.gz XOLSRZUPJHNIPM-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN COCC(=O)N[C@H](CNCC(=O)NC(N)=O)C(C)(C)C ZINC001394811478 888896969 /nfs/dbraw/zinc/89/69/69/888896969.db2.gz DZJOPZOPYPJYOG-MRVPVSSYSA-N 0 3 288.348 -1.052 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1ccc(C(N)=O)o1 ZINC001394776719 888897017 /nfs/dbraw/zinc/89/70/17/888897017.db2.gz KRKZMTKGHHOBCA-SECBINFHSA-N 0 3 299.327 -1.265 20 0 CAADHN CN1C[C@H](C(=O)N[C@H](CNCC(N)=O)C(C)(C)C)NC1=O ZINC001394822878 888897583 /nfs/dbraw/zinc/89/75/83/888897583.db2.gz JJHXHHBYHMLNIP-RKDXNWHRSA-N 0 3 299.375 -1.384 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)CN1CCOCC1 ZINC001394769069 888897806 /nfs/dbraw/zinc/89/78/06/888897806.db2.gz HXODYBIIALUBOM-GFCCVEGCSA-N 0 3 289.376 -1.938 20 0 CAADHN COCC(=O)N[C@@H](CNCC(=O)NC(N)=O)C(C)(C)C ZINC001394811480 888898128 /nfs/dbraw/zinc/89/81/28/888898128.db2.gz DZJOPZOPYPJYOG-QMMMGPOBSA-N 0 3 288.348 -1.052 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cc2n(n1)CCO2 ZINC001394781104 888900620 /nfs/dbraw/zinc/90/06/20/888900620.db2.gz YXMZFVMRPNZWGS-SNVBAGLBSA-N 0 3 298.343 -1.368 20 0 CAADHN CCOCC(=O)NC[C@@H](CO)NC(=O)Cc1nc[nH]c1C ZINC001395679660 888913452 /nfs/dbraw/zinc/91/34/52/888913452.db2.gz HJMMMPVRMKKUGN-JTQLQIEISA-N 0 3 298.343 -1.110 20 0 CAADHN CC[C@H](C(=O)N[C@@H](CO)CNC(=O)c1cn[nH]c1)N(C)C ZINC001395692336 888918625 /nfs/dbraw/zinc/91/86/25/888918625.db2.gz BFUJEMIYNLBMTJ-GHMZBOCLSA-N 0 3 297.359 -1.043 20 0 CAADHN CO[C@@H](C)C(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001395777490 888929981 /nfs/dbraw/zinc/92/99/81/888929981.db2.gz LMKBKMXMKFMXCA-UWVGGRQHSA-N 0 3 298.343 -1.111 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001396765403 888948776 /nfs/dbraw/zinc/94/87/76/888948776.db2.gz LASSNJKBIYAXJJ-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2nnc[n-]2)C1 ZINC001397111312 888957441 /nfs/dbraw/zinc/95/74/41/888957441.db2.gz FTSBXJKOGZUVHH-MGCOHNPYSA-N 0 3 294.359 -1.032 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)CNC(N)=O)C1 ZINC001397139123 888957664 /nfs/dbraw/zinc/95/76/64/888957664.db2.gz ALERYAKNMMVXQT-JTQLQIEISA-N 0 3 299.375 -1.288 20 0 CAADHN O=C(Cn1cnnn1)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001397205455 888960123 /nfs/dbraw/zinc/96/01/23/888960123.db2.gz BSERVVWYUKTUOC-LLVKDONJSA-N 0 3 298.347 -2.049 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CCC[C@H](N(CCO)CCO)C1 ZINC001397217839 888960331 /nfs/dbraw/zinc/96/03/31/888960331.db2.gz OQNPEKDKNAWJTL-NWDGAFQWSA-N 0 3 299.371 -1.457 20 0 CAADHN C[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H](CNCC(N)=O)C1 ZINC001397167150 888960363 /nfs/dbraw/zinc/96/03/63/888960363.db2.gz HNFREPIGVXOVCA-VWYCJHECSA-N 0 3 296.371 -1.033 20 0 CAADHN O=C(Cn1cnnn1)N1CCC[C@H](N(CCO)CCO)C1 ZINC001397205460 888960753 /nfs/dbraw/zinc/96/07/53/888960753.db2.gz BSERVVWYUKTUOC-NSHDSACASA-N 0 3 298.347 -2.049 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](C)CNC(=O)c1nnn(C)n1)N(C)C ZINC001397514189 888970720 /nfs/dbraw/zinc/97/07/20/888970720.db2.gz IHRLNAREAUJUAQ-IUCAKERBSA-N 0 3 297.363 -1.215 20 0 CAADHN C[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H](CNCC(N)=O)C1 ZINC001397739771 888975606 /nfs/dbraw/zinc/97/56/06/888975606.db2.gz SOEJOTXEUMFXCN-UTLUCORTSA-N 0 3 298.343 -1.203 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001397802310 888975899 /nfs/dbraw/zinc/97/58/99/888975899.db2.gz YSKSHBSRUPLVAI-AEJSXWLSSA-N 0 3 293.389 -1.505 20 0 CAADHN CCCN(C)CC(=O)NCCN(C)C(=O)Cn1cnnn1 ZINC001397987894 888982185 /nfs/dbraw/zinc/98/21/85/888982185.db2.gz RJSKKVPZMIWLHW-UHFFFAOYSA-N 0 3 297.363 -1.411 20 0 CAADHN CN(CCNC(=O)CCNC(N)=O)C(=O)[C@H]1CCCN1C ZINC001397908639 888982873 /nfs/dbraw/zinc/98/28/73/888982873.db2.gz IUJAYBROOSQZAT-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CCN(CC)CC(=O)NCCN(C)C(=O)c1nnn(C)n1 ZINC001397927538 888983157 /nfs/dbraw/zinc/98/31/57/888983157.db2.gz PGEKKCXJNKIOBA-UHFFFAOYSA-N 0 3 297.363 -1.260 20 0 CAADHN CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)CN1CCCC1 ZINC001398015769 888985038 /nfs/dbraw/zinc/98/50/38/888985038.db2.gz TZHKGGYPWVMOLQ-SNVBAGLBSA-N 0 3 297.359 -1.662 20 0 CAADHN CN(CCNC(=O)Cn1cncn1)C(=O)[C@H]1CCCN1C ZINC001398052042 888986532 /nfs/dbraw/zinc/98/65/32/888986532.db2.gz XAWLQFBIQQMFRO-LLVKDONJSA-N 0 3 294.359 -1.053 20 0 CAADHN CC(C)N1CCN(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001398269573 888988504 /nfs/dbraw/zinc/98/85/04/888988504.db2.gz AJASHEVUTJXLIF-NSHDSACASA-N 0 3 283.376 -1.190 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001398296927 888989969 /nfs/dbraw/zinc/98/99/69/888989969.db2.gz OTIRRAHDORBICV-QWHCGFSZSA-N 0 3 299.371 -1.338 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001398299016 888990168 /nfs/dbraw/zinc/99/01/68/888990168.db2.gz VLKULZBMIBCXNE-SNVBAGLBSA-N 0 3 272.349 -1.122 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1cnn(C)c1N)C1CC1 ZINC001398396781 888992635 /nfs/dbraw/zinc/99/26/35/888992635.db2.gz ZKJMTLUSHUFLLJ-JTQLQIEISA-N 0 3 294.359 -1.154 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001398484760 888993072 /nfs/dbraw/zinc/99/30/72/888993072.db2.gz TZUAFDYWGDESRH-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001398437920 888993350 /nfs/dbraw/zinc/99/33/50/888993350.db2.gz BAZHZRJRXUNPDX-UWVGGRQHSA-N 0 3 282.344 -1.375 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](N[C@@H](C)C(N)=O)C2CC2)C1 ZINC001398414102 888993380 /nfs/dbraw/zinc/99/33/80/888993380.db2.gz UJVZGDGZWBVCKZ-UFBFGSQYSA-N 0 3 296.371 -1.177 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](NCC(N)=O)C2CC2)cc1=O ZINC001398406139 888994160 /nfs/dbraw/zinc/99/41/60/888994160.db2.gz USWBWASTGSZYNV-JTQLQIEISA-N 0 3 293.327 -1.636 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](N[C@H](C)C(N)=O)C2CC2)C1 ZINC001398414079 888994191 /nfs/dbraw/zinc/99/41/91/888994191.db2.gz UJVZGDGZWBVCKZ-PELKAZGASA-N 0 3 296.371 -1.177 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001398332113 888994390 /nfs/dbraw/zinc/99/43/90/888994390.db2.gz PRQGHKSMSBMGMV-UWVGGRQHSA-N 0 3 298.343 -1.063 20 0 CAADHN Cc1cc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)no1 ZINC001398483949 888994464 /nfs/dbraw/zinc/99/44/64/888994464.db2.gz HEGZVHNSZUDRFI-QMMMGPOBSA-N 0 3 295.299 -1.018 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001398435093 888994480 /nfs/dbraw/zinc/99/44/80/888994480.db2.gz ZMFXCZQCEILYAB-ZJUUUORDSA-N 0 3 282.344 -1.518 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001398488750 888994506 /nfs/dbraw/zinc/99/45/06/888994506.db2.gz VPQJGUIEPJORPJ-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CN1CCOCC1)C1CC1 ZINC001398387532 888994598 /nfs/dbraw/zinc/99/45/98/888994598.db2.gz QKOALAYPQADRAN-NSHDSACASA-N 0 3 284.360 -1.712 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)Cn1cncn1)C1CC1 ZINC001398447216 888994655 /nfs/dbraw/zinc/99/46/55/888994655.db2.gz APOXYNQPNLSSQZ-NSHDSACASA-N 0 3 294.359 -1.149 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](N[C@@H](C)C(N)=O)C2CC2)C1 ZINC001398414094 888994721 /nfs/dbraw/zinc/99/47/21/888994721.db2.gz UJVZGDGZWBVCKZ-QPUJVOFHSA-N 0 3 296.371 -1.177 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001398437922 888994895 /nfs/dbraw/zinc/99/48/95/888994895.db2.gz BAZHZRJRXUNPDX-VHSXEESVSA-N 0 3 282.344 -1.375 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C1CC1 ZINC001398430908 888994912 /nfs/dbraw/zinc/99/49/12/888994912.db2.gz BXWXVNLDQSESAB-YGRLFVJLSA-N 0 3 296.371 -1.115 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CS(C)(=O)=O)C1CC1 ZINC001398382035 888994931 /nfs/dbraw/zinc/99/49/31/888994931.db2.gz ZJENILOWKGJPJI-SECBINFHSA-N 0 3 291.373 -1.739 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001398482606 888994949 /nfs/dbraw/zinc/99/49/49/888994949.db2.gz LYILOUZVCGVCRR-YUMQZZPRSA-N 0 3 272.305 -1.593 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1nnn(C)n1)C1CC1 ZINC001398439349 888995234 /nfs/dbraw/zinc/99/52/34/888995234.db2.gz RYOHOECAFAUKJW-MRVPVSSYSA-N 0 3 281.320 -1.946 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CNC(=O)C1CC1)C1CC1 ZINC001398380479 888995252 /nfs/dbraw/zinc/99/52/52/888995252.db2.gz HFIPORGWFCUKPE-LLVKDONJSA-N 0 3 296.371 -1.257 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001398437923 888995352 /nfs/dbraw/zinc/99/53/52/888995352.db2.gz BAZHZRJRXUNPDX-ZJUUUORDSA-N 0 3 282.344 -1.375 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001398332115 888995476 /nfs/dbraw/zinc/99/54/76/888995476.db2.gz PRQGHKSMSBMGMV-ZJUUUORDSA-N 0 3 298.343 -1.063 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CCN1CCOCC1)C1CC1 ZINC001398439984 888995506 /nfs/dbraw/zinc/99/55/06/888995506.db2.gz IMEKJBIWKUXHRI-LBPRGKRZSA-N 0 3 298.387 -1.322 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC001398513600 888996964 /nfs/dbraw/zinc/99/69/64/888996964.db2.gz OQDXQMUXPMYVQT-QMMMGPOBSA-N 0 3 294.311 -1.071 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001398521988 888996980 /nfs/dbraw/zinc/99/69/80/888996980.db2.gz YOCJNBSRFXXVHP-JTQLQIEISA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001398522334 888997094 /nfs/dbraw/zinc/99/70/94/888997094.db2.gz PWWXXJRZIBGENF-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1)C(N)=O ZINC001398518799 888997221 /nfs/dbraw/zinc/99/72/21/888997221.db2.gz IGRBTDWQWFXNRK-ONGXEEELSA-N 0 3 296.371 -1.081 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001398497230 888997473 /nfs/dbraw/zinc/99/74/73/888997473.db2.gz ZDDDOYGTRUJHNV-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](N[C@H]1C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)C1)C(N)=O ZINC001398540521 888997685 /nfs/dbraw/zinc/99/76/85/888997685.db2.gz VWVZTYDPXKGZCP-JBDRJPRFSA-N 0 3 291.373 -1.470 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001398525664 888998419 /nfs/dbraw/zinc/99/84/19/888998419.db2.gz XMGMMKPIDQQSGC-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001398525934 888998455 /nfs/dbraw/zinc/99/84/55/888998455.db2.gz AYSARJVGFMEWJR-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001398529663 888998956 /nfs/dbraw/zinc/99/89/56/888998956.db2.gz FUMCXZFNBLJASU-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001398493365 888999147 /nfs/dbraw/zinc/99/91/47/888999147.db2.gz SMNQHVPUOQSENB-QMMMGPOBSA-N 0 3 278.316 -1.391 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC001398516077 888999178 /nfs/dbraw/zinc/99/91/78/888999178.db2.gz USWKIPJIRHAJIX-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)Cn2ncnn2)C1 ZINC001398600686 889006841 /nfs/dbraw/zinc/00/68/41/889006841.db2.gz WZEWRBPMLYTMSH-UHFFFAOYSA-N 0 3 295.347 -1.658 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)CNC(=O)NC)C1 ZINC001398628068 889008769 /nfs/dbraw/zinc/00/87/69/889008769.db2.gz IWUCDGTTYJIORR-UHFFFAOYSA-N 0 3 299.375 -1.416 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](NC(=O)c2cn(C)ccc2=O)C1 ZINC001398623736 889009328 /nfs/dbraw/zinc/00/93/28/889009328.db2.gz GOGRQPJHNBTASI-AOOOYVTPSA-N 0 3 292.339 -1.018 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001398674119 889010048 /nfs/dbraw/zinc/01/00/48/889010048.db2.gz DFPBUIPFVHACAL-SNVBAGLBSA-N 0 3 297.359 -1.665 20 0 CAADHN O=C(C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C1)NC1CC1 ZINC001398658480 889012496 /nfs/dbraw/zinc/01/24/96/889012496.db2.gz FKDJUVWRRVYNIH-AOOOYVTPSA-N 0 3 292.343 -1.137 20 0 CAADHN Cn1nnc(C(=O)N2CCCC[C@@H]2CNCC(N)=O)n1 ZINC001398762968 889015819 /nfs/dbraw/zinc/01/58/19/889015819.db2.gz PLIAJASXJAZAHZ-MRVPVSSYSA-N 0 3 281.320 -1.720 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COCCO1)NCC(=O)NC(N)=O ZINC001398878338 889017523 /nfs/dbraw/zinc/01/75/23/889017523.db2.gz HXDHGMVCPYFCAE-SFYZADRCSA-N 0 3 288.304 -2.309 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)NCC1CC1 ZINC001398882441 889017862 /nfs/dbraw/zinc/01/78/62/889017862.db2.gz SEHXMXHRTGASHY-MWLCHTKSSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@H](OC)C(=O)NC[C@@H](C)NCC(=O)NC(=O)NC ZINC001398882307 889018040 /nfs/dbraw/zinc/01/80/40/889018040.db2.gz IBCXZMCXOZUKOO-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H](C)COC ZINC001398885567 889018057 /nfs/dbraw/zinc/01/80/57/889018057.db2.gz VOJDRKZXJIVABJ-BDAKNGLRSA-N 0 3 288.348 -1.181 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@@H](C)COC ZINC001398885579 889018650 /nfs/dbraw/zinc/01/86/50/889018650.db2.gz VOJDRKZXJIVABJ-DTWKUNHWSA-N 0 3 288.348 -1.181 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)NCC(=O)NC1CC1 ZINC001398863801 889019661 /nfs/dbraw/zinc/01/96/61/889019661.db2.gz ZCBOUWVKVWFSRZ-MRVPVSSYSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N[C@H]1CCCNC1=O ZINC001398855892 889019742 /nfs/dbraw/zinc/01/97/42/889019742.db2.gz OXVCLCSDCXSKHF-IUCAKERBSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)NCC(=O)N(C)C ZINC001398900628 889019842 /nfs/dbraw/zinc/01/98/42/889019842.db2.gz ZHLDFXYEXOKXPW-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@@H](OC)C(=O)NC[C@H](C)NCC(=O)NC(=O)NC ZINC001398882320 889019934 /nfs/dbraw/zinc/01/99/34/889019934.db2.gz IBCXZMCXOZUKOO-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](CNC(=O)c1nccnc1N)NCC(=O)N1CCC1 ZINC001398891190 889019962 /nfs/dbraw/zinc/01/99/62/889019962.db2.gz WBNBOBAFESFLDC-VIFPVBQESA-N 0 3 292.343 -1.001 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001398892802 889020173 /nfs/dbraw/zinc/02/01/73/889020173.db2.gz OZQGOXBGLLOAMI-PSASIEDQSA-N 0 3 284.360 -1.129 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CN1CCCC1=O ZINC001398850537 889020295 /nfs/dbraw/zinc/02/02/95/889020295.db2.gz IHNGPWPQWURONN-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCN1CC[C@H](N[C@H](C)CNC(=O)Cn2ncnn2)C1=O ZINC001398925489 889021218 /nfs/dbraw/zinc/02/12/18/889021218.db2.gz QXLMEHVXLLJTKV-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CNC(=O)CCNS(C)(=O)=O)N[C@H](C)C(N)=O ZINC001398952574 889021360 /nfs/dbraw/zinc/02/13/60/889021360.db2.gz KIKIYAFTXKRQDM-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN CNC(=O)CCCC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001398922114 889021481 /nfs/dbraw/zinc/02/14/81/889021481.db2.gz WGRULVVSVKFRFS-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CCN1CC[C@@H](N[C@@H](C)CNC(=O)Cn2ncnn2)C1=O ZINC001398925485 889021710 /nfs/dbraw/zinc/02/17/10/889021710.db2.gz QXLMEHVXLLJTKV-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)ccc1=O)N[C@@H]1CCNC1=O ZINC001398999584 889021774 /nfs/dbraw/zinc/02/17/74/889021774.db2.gz KEYCGXPOIVJCBY-GXSJLCMTSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)N[C@@H]1CCNC1=O ZINC001398939684 889022111 /nfs/dbraw/zinc/02/21/11/889022111.db2.gz GLHGLFGEMRPCQU-VXNVDRBHSA-N 0 3 279.300 -1.221 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001398954066 889022283 /nfs/dbraw/zinc/02/22/83/889022283.db2.gz QTOFPTIQDWRGQK-QMMMGPOBSA-N 0 3 281.316 -1.766 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1N)N[C@@H]1CCN(C)C1=O ZINC001398903274 889023071 /nfs/dbraw/zinc/02/30/71/889023071.db2.gz INEGIGRYWPUPRL-WCBMZHEXSA-N 0 3 294.359 -1.059 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)N(C)C1CC1 ZINC001398918622 889023436 /nfs/dbraw/zinc/02/34/36/889023436.db2.gz YAONXNOXUOVXHJ-BDAKNGLRSA-N 0 3 299.375 -1.242 20 0 CAADHN CNS(=O)(=O)CCC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001398949105 889023919 /nfs/dbraw/zinc/02/39/19/889023919.db2.gz ZDYJPUCRTKHWRY-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N[C@H]1CCNC1=O ZINC001398972175 889023795 /nfs/dbraw/zinc/02/37/95/889023795.db2.gz YKGOALLWOXIGDX-KOLCDFICSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)NCC(N)=O ZINC001398953879 889024059 /nfs/dbraw/zinc/02/40/59/889024059.db2.gz GRSOJOLRKNDWQS-SSDOTTSWSA-N 0 3 270.293 -2.839 20 0 CAADHN Cc1c(C(=O)NC[C@H](C)N[C@@H]2CCNC2=O)nnn1C ZINC001398903472 889024165 /nfs/dbraw/zinc/02/41/65/889024165.db2.gz XGXOCPUDTFULAK-IONNQARKSA-N 0 3 280.332 -1.280 20 0 CAADHN CCN1C[C@H](C(=O)NC[C@@H](C)NCC(=O)NC)CC1=O ZINC001398959236 889024194 /nfs/dbraw/zinc/02/41/94/889024194.db2.gz OMRPRGMTJCDMOI-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN1CC[C@H](N[C@@H](C)CNC(=O)Cn2ncnn2)C1=O ZINC001398925479 889024684 /nfs/dbraw/zinc/02/46/84/889024684.db2.gz QXLMEHVXLLJTKV-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CCCC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001398922116 889024955 /nfs/dbraw/zinc/02/49/55/889024955.db2.gz WGRULVVSVKFRFS-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CCS(C)(=O)=O)C(N)=O ZINC001398957867 889025022 /nfs/dbraw/zinc/02/50/22/889025022.db2.gz OLZYTFLGHGKSLJ-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN CNC(=O)CCCC(=O)NC[C@@H](C)NCC(=O)NC ZINC001398912953 889025103 /nfs/dbraw/zinc/02/51/03/889025103.db2.gz MFUQANKULPKRMP-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN Cc1nnc(CC(=O)NC[C@H](C)N[C@H]2CCNC2=O)o1 ZINC001398926957 889025158 /nfs/dbraw/zinc/02/51/58/889025158.db2.gz XJCXIXZRURETEP-CBAPKCEASA-N 0 3 281.316 -1.097 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCc1ccnn1C ZINC001399013323 889025621 /nfs/dbraw/zinc/02/56/21/889025621.db2.gz AASJBPQVUHPPQB-WPRPVWTQSA-N 0 3 280.332 -1.304 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCCS(C)(=O)=O ZINC001399033341 889025777 /nfs/dbraw/zinc/02/57/77/889025777.db2.gz NBXIGGKKJKSMBZ-HTQZYQBOSA-N 0 3 292.361 -2.193 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(=O)N1CCC1 ZINC001399048025 889026212 /nfs/dbraw/zinc/02/62/12/889026212.db2.gz SCGKEIGEMIRGLO-SECBINFHSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)NCC(=O)N1CCC1 ZINC001399048031 889026443 /nfs/dbraw/zinc/02/64/43/889026443.db2.gz SCGKEIGEMIRGLO-VIFPVBQESA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@H](CNC(=O)CNS(=O)(=O)N(C)C)NCCF ZINC001399037635 889026658 /nfs/dbraw/zinc/02/66/58/889026658.db2.gz NAEHSJGIGAOYCB-MRVPVSSYSA-N 0 3 284.357 -1.554 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001399042491 889026860 /nfs/dbraw/zinc/02/68/60/889026860.db2.gz PGWYKLMWSJQXCJ-HRDYMLBCSA-N 0 3 286.332 -2.140 20 0 CAADHN COC[C@H](OC)C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001399060268 889027017 /nfs/dbraw/zinc/02/70/17/889027017.db2.gz ZGQSUKCHXVZVSP-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CNC(=O)CNS(=O)(=O)N(C)C)NCCF ZINC001399037690 889027082 /nfs/dbraw/zinc/02/70/82/889027082.db2.gz NAEHSJGIGAOYCB-QMMMGPOBSA-N 0 3 284.357 -1.554 20 0 CAADHN C[C@@H](CNC(=O)c1ccnc2n[nH]nc21)N[C@@H](C)C(N)=O ZINC001399006313 889027339 /nfs/dbraw/zinc/02/73/39/889027339.db2.gz TWPYNRIXYXHCJP-BQBZGAKWSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCc1ccnn1C ZINC001399013304 889027399 /nfs/dbraw/zinc/02/73/99/889027399.db2.gz AASJBPQVUHPPQB-SCZZXKLOSA-N 0 3 280.332 -1.304 20 0 CAADHN COC[C@@H](OC)C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001399060253 889027424 /nfs/dbraw/zinc/02/74/24/889027424.db2.gz ZGQSUKCHXVZVSP-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001399047200 889027568 /nfs/dbraw/zinc/02/75/68/889027568.db2.gz ZGUZHOVSXSSDJC-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCc1ccnn1C ZINC001399013288 889027627 /nfs/dbraw/zinc/02/76/27/889027627.db2.gz AASJBPQVUHPPQB-PSASIEDQSA-N 0 3 280.332 -1.304 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cccc(=O)n1C ZINC001399051230 889027787 /nfs/dbraw/zinc/02/77/87/889027787.db2.gz VJGVFSJXJNABPW-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001399024345 889028058 /nfs/dbraw/zinc/02/80/58/889028058.db2.gz HNGXTPAEIGKPPS-BDAKNGLRSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@@H](CNC(=O)CCn1ncn(C)c1=O)N[C@@H](C)C(N)=O ZINC001399012339 889028297 /nfs/dbraw/zinc/02/82/97/889028297.db2.gz FEGHFBJIYUNQPB-IUCAKERBSA-N 0 3 298.347 -2.060 20 0 CAADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)N[C@H]1CCNC1=O ZINC001399026503 889028340 /nfs/dbraw/zinc/02/83/40/889028340.db2.gz OZABMQJJSMLKFF-ZJUUUORDSA-N 0 3 297.359 -2.599 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NCC(=O)N(C)C ZINC001399042967 889028372 /nfs/dbraw/zinc/02/83/72/889028372.db2.gz XZKDWMJYJVLRAT-NXEZZACHSA-N 0 3 284.360 -1.210 20 0 CAADHN COC[C@H](OC)C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001399060262 889029123 /nfs/dbraw/zinc/02/91/23/889029123.db2.gz ZGQSUKCHXVZVSP-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CNC(=O)c1cc2ncccn2n1)NCC(N)=O ZINC001399081496 889030003 /nfs/dbraw/zinc/03/00/03/889030003.db2.gz HUNNSGKSBRTESP-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cccnn1 ZINC001399108473 889030514 /nfs/dbraw/zinc/03/05/14/889030514.db2.gz PGDIPCISZCXGJL-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)C1 ZINC001399153124 889030976 /nfs/dbraw/zinc/03/09/76/889030976.db2.gz HRAVJRMUXKKVET-NXEZZACHSA-N 0 3 272.349 -1.713 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)c(=O)n(C)c1=O)NCCF ZINC001399082108 889031308 /nfs/dbraw/zinc/03/13/08/889031308.db2.gz SQNNFZIUQDJXPD-QMMMGPOBSA-N 0 3 286.307 -1.239 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cnon1 ZINC001399093025 889031899 /nfs/dbraw/zinc/03/18/99/889031899.db2.gz SAHMMASNFQZSOL-ZETCQYMHSA-N 0 3 298.303 -1.377 20 0 CAADHN Cc1nccc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)n1 ZINC001399103905 889032029 /nfs/dbraw/zinc/03/20/29/889032029.db2.gz IISPPOUDRWUYFM-ZETCQYMHSA-N 0 3 294.315 -1.312 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)COCc1nncn1C ZINC001399091947 889032073 /nfs/dbraw/zinc/03/20/73/889032073.db2.gz JWBVBWBWCDBUNB-SECBINFHSA-N 0 3 298.347 -1.828 20 0 CAADHN CCn1cnc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)c1 ZINC001399125918 889032136 /nfs/dbraw/zinc/03/21/36/889032136.db2.gz VBNRRFLUJXLBDS-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001399159016 889032184 /nfs/dbraw/zinc/03/21/84/889032184.db2.gz HMLCXWVSRJCZOU-CABZTGNLSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CNC(=O)c1nc2ncccn2n1)NCC(N)=O ZINC001399081479 889032590 /nfs/dbraw/zinc/03/25/90/889032590.db2.gz HRCNNPZQNSSPRF-ZETCQYMHSA-N 0 3 277.288 -1.683 20 0 CAADHN C[C@H](CNC(=O)CCn1cnccc1=O)NCC(N)=O ZINC001399118204 889032792 /nfs/dbraw/zinc/03/27/92/889032792.db2.gz ZRLLLHHZYIHOER-SECBINFHSA-N 0 3 281.316 -1.787 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)N[C@@H]1CCN(C)C1=O ZINC001399118555 889032822 /nfs/dbraw/zinc/03/28/22/889032822.db2.gz STQAXQHDGDKKEJ-NXEZZACHSA-N 0 3 280.332 -1.397 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N[C@H](C)C(=O)NC1CC1 ZINC001399122493 889032925 /nfs/dbraw/zinc/03/29/25/889032925.db2.gz FEVXHUJWBYXCOE-RKDXNWHRSA-N 0 3 299.375 -1.194 20 0 CAADHN C[C@@H](CNC(=O)CCn1cnnn1)NCC(=O)N1CCC1 ZINC001399094563 889033284 /nfs/dbraw/zinc/03/32/84/889033284.db2.gz IZTJYZMUFDJHDJ-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001399157358 889033441 /nfs/dbraw/zinc/03/34/41/889033441.db2.gz MFKYRXMOHKZMLT-WPRPVWTQSA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O)C(N)=O ZINC001399092384 889033609 /nfs/dbraw/zinc/03/36/09/889033609.db2.gz DKWOSSAMTLXVPQ-NKWVEPMBSA-N 0 3 297.315 -1.932 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CS(=O)(=O)N(C)C ZINC001399136748 889033652 /nfs/dbraw/zinc/03/36/52/889033652.db2.gz WIHWVGBLJYMGTC-QMMMGPOBSA-N 0 3 294.377 -2.282 20 0 CAADHN C[C@H](CNC(=O)CCCC(=O)N(C)C)NCC(N)=O ZINC001399100140 889033666 /nfs/dbraw/zinc/03/36/66/889033666.db2.gz NAYWLVBVRRWTHF-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N[C@@H]1CCCNC1=O ZINC001399129910 889033762 /nfs/dbraw/zinc/03/37/62/889033762.db2.gz MIXZSFHWJGEVKW-RKDXNWHRSA-N 0 3 285.348 -1.582 20 0 CAADHN Cc1nccn1CC(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001399128104 889033803 /nfs/dbraw/zinc/03/38/03/889033803.db2.gz WOGHFMAETJSZBR-QMMMGPOBSA-N 0 3 296.331 -1.519 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001399235372 889034824 /nfs/dbraw/zinc/03/48/24/889034824.db2.gz RHKOFHJMSOJRQL-NSHDSACASA-N 0 3 294.359 -1.007 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001399159802 889035146 /nfs/dbraw/zinc/03/51/46/889035146.db2.gz IAZYEENRGRNTAI-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1)NC1CC1 ZINC001399189479 889035275 /nfs/dbraw/zinc/03/52/75/889035275.db2.gz VHIWXVDFCPOFPV-VHSXEESVSA-N 0 3 295.343 -1.863 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001399167224 889035791 /nfs/dbraw/zinc/03/57/91/889035791.db2.gz KQTDXVCTHIXYJH-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001399173658 889035896 /nfs/dbraw/zinc/03/58/96/889035896.db2.gz DWVCVIVEPIYWII-JTQLQIEISA-N 0 3 298.343 -1.202 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCCn2cncn2)C1 ZINC001399220159 889036658 /nfs/dbraw/zinc/03/66/58/889036658.db2.gz RHLCFQOKADZWHC-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@@H](CNC(=O)CCc1cn(C)nn1)NCC(=O)N(C)C ZINC001399189684 889037072 /nfs/dbraw/zinc/03/70/72/889037072.db2.gz XAIFCWXVNXBKCU-JTQLQIEISA-N 0 3 296.375 -1.070 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1[nH]nnc1C ZINC001399548719 889048083 /nfs/dbraw/zinc/04/80/83/889048083.db2.gz RRSSWRRJIALRCY-SECBINFHSA-N 0 3 271.321 -1.218 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001399482787 889048277 /nfs/dbraw/zinc/04/82/77/889048277.db2.gz MFCCHSXPWAFQGP-SECBINFHSA-N 0 3 298.347 -1.540 20 0 CAADHN CN(CCCO)CCNC(=O)CN1CCCS1(=O)=O ZINC001399483170 889049418 /nfs/dbraw/zinc/04/94/18/889049418.db2.gz OJIUOOWEMYYXRB-UHFFFAOYSA-N 0 3 293.389 -1.548 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001399482789 889050104 /nfs/dbraw/zinc/05/01/04/889050104.db2.gz MFCCHSXPWAFQGP-VIFPVBQESA-N 0 3 298.347 -1.540 20 0 CAADHN Cc1nc(C(=O)NCCN(C)CCO)nn1-c1nc[nH]n1 ZINC001399543881 889050455 /nfs/dbraw/zinc/05/04/55/889050455.db2.gz DYJXQPSRAHSLGC-UHFFFAOYSA-N 0 3 294.319 -1.652 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1nnn(C)n1 ZINC001399570223 889052940 /nfs/dbraw/zinc/05/29/40/889052940.db2.gz QDRIBPAKMFLCIR-MRVPVSSYSA-N 0 3 272.309 -2.121 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001399595285 889054490 /nfs/dbraw/zinc/05/44/90/889054490.db2.gz ORCAADNEHYIBHK-JTQLQIEISA-N 0 3 298.343 -1.218 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NCCN(C)CCCO ZINC001399652435 889058187 /nfs/dbraw/zinc/05/81/87/889058187.db2.gz VFWIPEXBJVXBHA-UHFFFAOYSA-N 0 3 281.378 -1.692 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@H]1CCCN1CCO ZINC001399863200 889071873 /nfs/dbraw/zinc/07/18/73/889071873.db2.gz LRFDOFRQUKVHPM-SNVBAGLBSA-N 0 3 293.389 -1.501 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@@H]1CCCN1CCO ZINC001399863183 889074779 /nfs/dbraw/zinc/07/47/79/889074779.db2.gz LRFDOFRQUKVHPM-JTQLQIEISA-N 0 3 293.389 -1.501 20 0 CAADHN CCN(CC)CC(=O)NC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001399891871 889077530 /nfs/dbraw/zinc/07/75/30/889077530.db2.gz OWTFPRDVLBCMLA-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CN1CCN(CC(=O)NC[C@H]2CCCN2CCO)CC1=O ZINC001399879398 889078307 /nfs/dbraw/zinc/07/83/07/889078307.db2.gz YKXZETNOASKGEX-GFCCVEGCSA-N 0 3 298.387 -1.667 20 0 CAADHN CN1CCN(CC(=O)NC[C@@H]2CCCN2CCO)CC1=O ZINC001399879407 889078659 /nfs/dbraw/zinc/07/86/59/889078659.db2.gz YKXZETNOASKGEX-LBPRGKRZSA-N 0 3 298.387 -1.667 20 0 CAADHN CCN(CC)CC(=O)N[C@H](C)CNC(=O)CNC(N)=O ZINC001399971607 889082690 /nfs/dbraw/zinc/08/26/90/889082690.db2.gz HOTDMPIZTJECIN-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CN(C)C(=O)C1CC1 ZINC001400062520 889085099 /nfs/dbraw/zinc/08/50/99/889085099.db2.gz WFMQTZLWZOIWJE-NSHDSACASA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CN1CCCCC1=O ZINC001400043149 889085305 /nfs/dbraw/zinc/08/53/05/889085305.db2.gz YNOIBXLFVOQJDC-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCc1cnn(C)n1)C(N)=O ZINC001400064552 889085740 /nfs/dbraw/zinc/08/57/40/889085740.db2.gz CLKWBGGCZKIJLF-VIFPVBQESA-N 0 3 282.348 -1.331 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)C[C@H]1CCNC1=O ZINC001400049150 889085775 /nfs/dbraw/zinc/08/57/75/889085775.db2.gz GBFNSQLCEJMVQL-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@@H]1CCNC1=O)C(N)=O ZINC001400059784 889085880 /nfs/dbraw/zinc/08/58/80/889085880.db2.gz RMRNCXDSKWRLLK-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H](C)CC(N)=O ZINC001400056646 889086476 /nfs/dbraw/zinc/08/64/76/889086476.db2.gz PKQVFAMCXOWGDV-RKDXNWHRSA-N 0 3 272.349 -1.320 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)CCn1ccnn1 ZINC001400049342 889086424 /nfs/dbraw/zinc/08/64/24/889086424.db2.gz CGWAENMZXCRSHZ-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001400036368 889086553 /nfs/dbraw/zinc/08/65/53/889086553.db2.gz ADQWINLYDQCLMS-MRVPVSSYSA-N 0 3 281.316 -1.324 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN1CCOCC1)C(N)=O ZINC001400053508 889087135 /nfs/dbraw/zinc/08/71/35/889087135.db2.gz IRKIFCNNSVKFPO-JTQLQIEISA-N 0 3 272.349 -1.760 20 0 CAADHN COC(=O)NCC(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001400065897 889087229 /nfs/dbraw/zinc/08/72/29/889087229.db2.gz FIMGVBFUHYUJRZ-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001400045925 889087365 /nfs/dbraw/zinc/08/73/65/889087365.db2.gz UOGPSVVATZVEHQ-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001400059584 889087479 /nfs/dbraw/zinc/08/74/79/889087479.db2.gz TWBJJCNAIGBFOR-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1coc(C(N)=O)c1 ZINC001400059574 889087621 /nfs/dbraw/zinc/08/76/21/889087621.db2.gz TUKSXYKPZVBNFU-VIFPVBQESA-N 0 3 294.311 -1.071 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001400057573 889087734 /nfs/dbraw/zinc/08/77/34/889087734.db2.gz QPNUNTLEINPGPR-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001400053313 889087949 /nfs/dbraw/zinc/08/79/49/889087949.db2.gz KMPMVFOVXPTLBJ-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN1CCCCC1=O)C(N)=O ZINC001400038750 889088008 /nfs/dbraw/zinc/08/80/08/889088008.db2.gz QUDXOIPCFGTGEN-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@@H]1CCNC1=O)C(N)=O ZINC001400059800 889088101 /nfs/dbraw/zinc/08/81/01/889088101.db2.gz RMRNCXDSKWRLLK-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CN(C)C(=O)C1CC1 ZINC001400062509 889088246 /nfs/dbraw/zinc/08/82/46/889088246.db2.gz WFMQTZLWZOIWJE-LLVKDONJSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@H]1COC(=O)C1)C(N)=O ZINC001400056332 889088781 /nfs/dbraw/zinc/08/87/81/889088781.db2.gz MBHNWSTXIDSOND-DTWKUNHWSA-N 0 3 271.317 -1.139 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001400045939 889088838 /nfs/dbraw/zinc/08/88/38/889088838.db2.gz UOGPSVVATZVEHQ-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001400057560 889088976 /nfs/dbraw/zinc/08/89/76/889088976.db2.gz QPNUNTLEINPGPR-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)C[C@H]1CCNC1=O ZINC001400049149 889089035 /nfs/dbraw/zinc/08/90/35/889089035.db2.gz GBFNSQLCEJMVQL-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CN1CCCCC1=O ZINC001400043160 889089067 /nfs/dbraw/zinc/08/90/67/889089067.db2.gz YNOIBXLFVOQJDC-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CCNC(N)=O)C(N)=O ZINC001400098747 889090932 /nfs/dbraw/zinc/09/09/32/889090932.db2.gz ZMUZGROMIAXWJS-QMMMGPOBSA-N 0 3 273.337 -1.643 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CCCC(N)=O ZINC001400075772 889091306 /nfs/dbraw/zinc/09/13/06/889091306.db2.gz BGQDCSAJCHEOEZ-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)c1cn[nH]c1 ZINC001400072784 889091524 /nfs/dbraw/zinc/09/15/24/889091524.db2.gz UHKMUEBWZVLVLM-MRVPVSSYSA-N 0 3 296.331 -1.085 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1ccnnc1)C(=O)NC(N)=O ZINC001400075137 889092424 /nfs/dbraw/zinc/09/24/24/889092424.db2.gz ZHFXHBLJHNFQFT-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN CC[C@H](C(=O)N[C@@H](C)CNC(=O)Cn1cnnn1)N(C)C ZINC001400247956 889095416 /nfs/dbraw/zinc/09/54/16/889095416.db2.gz WHWONWFRJJEPPG-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H]1CCN1C(=O)CNC(N)=O)N(C)C ZINC001400454073 889106817 /nfs/dbraw/zinc/10/68/17/889106817.db2.gz AVDGCOAUEBGEPB-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001400480624 889107244 /nfs/dbraw/zinc/10/72/44/889107244.db2.gz ZOLVKZIEIJPKPK-VIFPVBQESA-N 0 3 293.389 -1.693 20 0 CAADHN CN(CC(=O)NCC1CN(CCCO)C1)S(C)(=O)=O ZINC001400470456 889107599 /nfs/dbraw/zinc/10/75/99/889107599.db2.gz LBBBTHSUUXUWST-UHFFFAOYSA-N 0 3 293.389 -1.692 20 0 CAADHN CC[C@H](C(=O)NC[C@@H]1CCN1C(=O)CNC(N)=O)N(C)C ZINC001400436586 889107793 /nfs/dbraw/zinc/10/77/93/889107793.db2.gz AVDGCOAUEBGEPB-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCCS(N)(=O)=O ZINC001401236941 889131968 /nfs/dbraw/zinc/13/19/68/889131968.db2.gz HPBYTUXWIRGKBC-QMMMGPOBSA-N 0 3 294.377 -2.023 20 0 CAADHN CC[C@@H](C(=O)NC[C@H]1CCN1C(=O)CNC(N)=O)N(C)C ZINC001400454078 889108735 /nfs/dbraw/zinc/10/87/35/889108735.db2.gz AVDGCOAUEBGEPB-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001400529169 889110265 /nfs/dbraw/zinc/11/02/65/889110265.db2.gz PIANNKANMUABQF-VHSXEESVSA-N 0 3 286.332 -2.277 20 0 CAADHN COC[C@H](C)N1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001400512814 889110162 /nfs/dbraw/zinc/11/01/62/889110162.db2.gz ZHCVGIHYHQFWIY-NSHDSACASA-N 0 3 299.371 -1.072 20 0 CAADHN Cn1cnnc1COCC(=O)NCC1CN(CCCO)C1 ZINC001400538388 889110787 /nfs/dbraw/zinc/11/07/87/889110787.db2.gz GGDKZYOJZQOLID-UHFFFAOYSA-N 0 3 297.359 -1.238 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCC1CN(CCCF)C1 ZINC001400520375 889110886 /nfs/dbraw/zinc/11/08/86/889110886.db2.gz ZRYMTOWXZRPQTL-UHFFFAOYSA-N 0 3 286.351 -1.174 20 0 CAADHN CNC(=O)[C@H](C)N1CC(CNC(=O)CCc2cnn[nH]2)C1 ZINC001400527172 889111667 /nfs/dbraw/zinc/11/16/67/889111667.db2.gz IPTAPJPEKPODLX-VIFPVBQESA-N 0 3 294.359 -1.080 20 0 CAADHN O=C(Cc1cnc[nH]1)NCC1CN([C@H]2CCNC2=O)C1 ZINC001400516936 889111885 /nfs/dbraw/zinc/11/18/85/889111885.db2.gz HGERIFXLWQZGMI-NSHDSACASA-N 0 3 277.328 -1.111 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001400510128 889111946 /nfs/dbraw/zinc/11/19/46/889111946.db2.gz FZJBYUSPVUJHDH-SNVBAGLBSA-N 0 3 298.343 -1.205 20 0 CAADHN COC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[n-]1 ZINC001400581860 889113612 /nfs/dbraw/zinc/11/36/12/889113612.db2.gz PJJKBRBYOXKHLE-GARJFASQSA-N 0 3 295.343 -1.360 20 0 CAADHN COC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[n-]1 ZINC001400581860 889113618 /nfs/dbraw/zinc/11/36/18/889113618.db2.gz PJJKBRBYOXKHLE-GARJFASQSA-N 0 3 295.343 -1.360 20 0 CAADHN COC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[n-]1 ZINC001400581850 889113709 /nfs/dbraw/zinc/11/37/09/889113709.db2.gz PJJKBRBYOXKHLE-DCAQKATOSA-N 0 3 295.343 -1.360 20 0 CAADHN COC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1nnc[n-]1 ZINC001400581850 889113715 /nfs/dbraw/zinc/11/37/15/889113715.db2.gz PJJKBRBYOXKHLE-DCAQKATOSA-N 0 3 295.343 -1.360 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@H]1CCN(CCOC)C1 ZINC001400609280 889113876 /nfs/dbraw/zinc/11/38/76/889113876.db2.gz GIVYGPXOFKRPQW-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001400616610 889114066 /nfs/dbraw/zinc/11/40/66/889114066.db2.gz LMUCCNHLXRRHIG-SDDRHHMPSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001400681749 889114486 /nfs/dbraw/zinc/11/44/86/889114486.db2.gz WYWJNCSMXHTNAA-TUAOUCFPSA-N 0 3 299.371 -1.147 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2COCCO2)C1 ZINC001400588085 889115248 /nfs/dbraw/zinc/11/52/48/889115248.db2.gz CBYUXGVXQHPKFL-SRVKXCTJSA-N 0 3 288.344 -1.400 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2COCCO2)C1 ZINC001400588074 889115783 /nfs/dbraw/zinc/11/57/83/889115783.db2.gz CBYUXGVXQHPKFL-SDDRHHMPSA-N 0 3 288.344 -1.400 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001400743748 889118287 /nfs/dbraw/zinc/11/82/87/889118287.db2.gz MTAJLEAAHORKKY-WOPDTQHZSA-N 0 3 299.371 -1.195 20 0 CAADHN CC[C@H](CNC(=O)C1CS(=O)(=O)C1)NCC(=O)NC ZINC001400793691 889118885 /nfs/dbraw/zinc/11/88/85/889118885.db2.gz BJIPDINHCCDANP-SECBINFHSA-N 0 3 291.373 -1.739 20 0 CAADHN CC[C@@H](CNC(=O)CNC(C)=O)N[C@@H]1CCNC1=O ZINC001400774782 889119544 /nfs/dbraw/zinc/11/95/44/889119544.db2.gz ZBTUECDFOFLKKD-VHSXEESVSA-N 0 3 270.333 -1.505 20 0 CAADHN CNS(=O)(=O)CCC(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001400692331 889119774 /nfs/dbraw/zinc/11/97/74/889119774.db2.gz CVLQDEHNUZJGLG-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCCO1)NCC(=O)NC(N)=O ZINC001400799952 889119893 /nfs/dbraw/zinc/11/98/93/889119893.db2.gz VSXRRMZQWXUYNB-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001400901960 889121099 /nfs/dbraw/zinc/12/10/99/889121099.db2.gz IJJYYTNCOKNDFT-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)NC1CC1 ZINC001400847227 889121139 /nfs/dbraw/zinc/12/11/39/889121139.db2.gz GUOARGXOXXAQLO-IEBDPFPHSA-N 0 3 296.371 -1.129 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)CNC(=O)C1CC1)C1CC1 ZINC001400999689 889121438 /nfs/dbraw/zinc/12/14/38/889121438.db2.gz PQDYJBYUYHGQGZ-AWEZNQCLSA-N 0 3 296.371 -1.128 20 0 CAADHN CC[C@H](CNC(=O)CS(=O)(=O)CC)NCC(=O)NC ZINC001400919186 889121687 /nfs/dbraw/zinc/12/16/87/889121687.db2.gz NIGAMKXTMGBVKA-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN CC[C@H](CNC(=O)[C@@H](CC)NC(C)=O)NCC(N)=O ZINC001400832505 889121740 /nfs/dbraw/zinc/12/17/40/889121740.db2.gz DWFAHLIVWLKIFU-NXEZZACHSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@H](CNC(=O)[C@H](CC)NC(C)=O)NCC(N)=O ZINC001400832517 889121827 /nfs/dbraw/zinc/12/18/27/889121827.db2.gz DWFAHLIVWLKIFU-ZJUUUORDSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)N[C@H](C)C(=O)NC ZINC001400829610 889121920 /nfs/dbraw/zinc/12/19/20/889121920.db2.gz KABJRQSAQGCCAX-SFYZADRCSA-N 0 3 283.336 -1.557 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)N[C@@H](C)C(=O)NC ZINC001400829612 889122071 /nfs/dbraw/zinc/12/20/71/889122071.db2.gz KABJRQSAQGCCAX-YUMQZZPRSA-N 0 3 283.336 -1.557 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1COC(=O)N1 ZINC001400816853 889122135 /nfs/dbraw/zinc/12/21/35/889122135.db2.gz QAPYLPFSEDXOCI-BDAKNGLRSA-N 0 3 286.332 -1.285 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cn2cncn2)CCCC1 ZINC001400969435 889122358 /nfs/dbraw/zinc/12/23/58/889122358.db2.gz FVGUSVJPJCUVSP-UHFFFAOYSA-N 0 3 280.332 -1.218 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001401004267 889122488 /nfs/dbraw/zinc/12/24/88/889122488.db2.gz WWERKNGPCVGERL-TVQRCGJNSA-N 0 3 298.343 -1.285 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001400918636 889122533 /nfs/dbraw/zinc/12/25/33/889122533.db2.gz WJHMDZSIMRTDAQ-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001400918650 889122645 /nfs/dbraw/zinc/12/26/45/889122645.db2.gz WJHMDZSIMRTDAQ-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CO[C@H](C)C(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O ZINC001401080057 889123960 /nfs/dbraw/zinc/12/39/60/889123960.db2.gz BIDZGJUNZWCFAA-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@@H](CNC(=O)CCc1nnc[n-]1)C[NH2+][C@@H]1CCNC1=O ZINC001401109970 889124829 /nfs/dbraw/zinc/12/48/29/889124829.db2.gz QIQGGQZESRJIIN-NXEZZACHSA-N 0 3 294.359 -1.032 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001401087494 889125431 /nfs/dbraw/zinc/12/54/31/889125431.db2.gz ZRYZBQMVCBDCOY-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001401082773 889125539 /nfs/dbraw/zinc/12/55/39/889125539.db2.gz ZRSGYKJSKHDTQX-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)CNC(=O)C1CC1)C(N)=O ZINC001401081714 889125644 /nfs/dbraw/zinc/12/56/44/889125644.db2.gz ONUXNUYZEOJJEC-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@H]1CCCNC1=O ZINC001401133135 889128055 /nfs/dbraw/zinc/12/80/55/889128055.db2.gz AJOIXXABCPVAEP-UWVGGRQHSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@@H]1CCCNC1=O ZINC001401133122 889128691 /nfs/dbraw/zinc/12/86/91/889128691.db2.gz AJOIXXABCPVAEP-NXEZZACHSA-N 0 3 294.359 -1.032 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1nnc[n-]1 ZINC001401142004 889128770 /nfs/dbraw/zinc/12/87/70/889128770.db2.gz XRRSNCBLBDMQGA-RKDXNWHRSA-N 0 3 282.348 -1.176 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)C[NH2+][C@@H]1CCCNC1=O ZINC001401133138 889129285 /nfs/dbraw/zinc/12/92/85/889129285.db2.gz AJOIXXABCPVAEP-VHSXEESVSA-N 0 3 294.359 -1.032 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)COC ZINC001401198817 889130450 /nfs/dbraw/zinc/13/04/50/889130450.db2.gz PORNSOIISVAGQD-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001401195849 889130471 /nfs/dbraw/zinc/13/04/71/889130471.db2.gz ATLDSQXVRHXQHW-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN CC(C)c1nnnn1CC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001401244576 889130559 /nfs/dbraw/zinc/13/05/59/889130559.db2.gz LSVMPJXPPMBIIF-VIFPVBQESA-N 0 3 297.363 -1.282 20 0 CAADHN C[C@H]1CCCN(C(=O)Cn2cncn2)[C@@H]1CNCC(N)=O ZINC001401314320 889130611 /nfs/dbraw/zinc/13/06/11/889130611.db2.gz UDANWUJSSOIKFU-WDEREUQCSA-N 0 3 294.359 -1.020 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)Cn1ncn(C)c1=O ZINC001401224962 889131077 /nfs/dbraw/zinc/13/10/77/889131077.db2.gz OFQKWBUGAOTCPR-MRVPVSSYSA-N 0 3 284.320 -2.496 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001401207269 889131231 /nfs/dbraw/zinc/13/12/31/889131231.db2.gz KIXLUNOPDVZVGS-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](C)CNCC(=O)NC1CC1 ZINC001401213187 889131367 /nfs/dbraw/zinc/13/13/67/889131367.db2.gz JEIVODJABNDEHW-SECBINFHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001401252906 889131520 /nfs/dbraw/zinc/13/15/20/889131520.db2.gz ASRWFAWHDDGWND-MRVPVSSYSA-N 0 3 299.331 -2.150 20 0 CAADHN C[C@H]1CCCN(C(=O)Cn2cncn2)[C@H]1CNCC(N)=O ZINC001401314318 889131582 /nfs/dbraw/zinc/13/15/82/889131582.db2.gz UDANWUJSSOIKFU-QWRGUYRKSA-N 0 3 294.359 -1.020 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)Cn1ccccc1=O ZINC001401250930 889131612 /nfs/dbraw/zinc/13/16/12/889131612.db2.gz MQJDEKKQZKFRIU-JTQLQIEISA-N 0 3 280.328 -1.230 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001401221104 889131634 /nfs/dbraw/zinc/13/16/34/889131634.db2.gz ATWBCGRVWCHJFC-SNVBAGLBSA-N 0 3 299.375 -2.318 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001401213378 889132422 /nfs/dbraw/zinc/13/24/22/889132422.db2.gz XDWYHXVTPCXTMX-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001401237626 889132452 /nfs/dbraw/zinc/13/24/52/889132452.db2.gz RPDRZCWARRBMQI-QMMMGPOBSA-N 0 3 283.336 -1.604 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001401248130 889132756 /nfs/dbraw/zinc/13/27/56/889132756.db2.gz RELCMJJLQMMJIS-PELKAZGASA-N 0 3 270.333 -1.423 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](C)CNCC(=O)NC1CC1 ZINC001401213192 889132804 /nfs/dbraw/zinc/13/28/04/889132804.db2.gz JEIVODJABNDEHW-VIFPVBQESA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCCS(N)(=O)=O ZINC001401236940 889132868 /nfs/dbraw/zinc/13/28/68/889132868.db2.gz HPBYTUXWIRGKBC-MRVPVSSYSA-N 0 3 294.377 -2.023 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CS(C)(=O)=O ZINC001401198798 889132952 /nfs/dbraw/zinc/13/29/52/889132952.db2.gz FJOLQZVEZSTCMY-RKDXNWHRSA-N 0 3 291.373 -1.644 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](C)CN[C@@H]1CCN(C)C1=O ZINC001401217066 889132985 /nfs/dbraw/zinc/13/29/85/889132985.db2.gz SLOZMCVUAFMESO-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001401230058 889132998 /nfs/dbraw/zinc/13/29/98/889132998.db2.gz UGTNXYPVCJGTGM-VHSXEESVSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)c1cn(CC(N)=O)nn1 ZINC001401433015 889134731 /nfs/dbraw/zinc/13/47/31/889134731.db2.gz BHSRQORUKPQNJB-VIFPVBQESA-N 0 3 298.347 -1.852 20 0 CAADHN CC(C)[C@@H](CNC(=O)CNC(=O)C1CC1)NCC(N)=O ZINC001401323547 889135060 /nfs/dbraw/zinc/13/50/60/889135060.db2.gz VUSACHUOGFHGJI-SNVBAGLBSA-N 0 3 284.360 -1.272 20 0 CAADHN CN(CCCO)CCN(C)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC001401438902 889135570 /nfs/dbraw/zinc/13/55/70/889135570.db2.gz OMDBPVYCOMJCSO-UHFFFAOYSA-N 0 3 298.343 -1.128 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)C1CCOCC1 ZINC001401475699 889136671 /nfs/dbraw/zinc/13/66/71/889136671.db2.gz BRNMNWDKNOYMPP-NSHDSACASA-N 0 3 287.360 -1.384 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C(C)C ZINC001401379743 889136914 /nfs/dbraw/zinc/13/69/14/889136914.db2.gz KBXKYPJKADIAPL-UWVGGRQHSA-N 0 3 284.360 -1.259 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnns1)NC1CC1 ZINC001401482467 889138240 /nfs/dbraw/zinc/13/82/40/889138240.db2.gz DNJKMXRUFYZZLI-MRVPVSSYSA-N 0 3 299.356 -1.503 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnccn1 ZINC001401484704 889138308 /nfs/dbraw/zinc/13/83/08/889138308.db2.gz GESOQCVZVCIAOV-RKDXNWHRSA-N 0 3 281.316 -1.709 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnc(C)[nH]1 ZINC001401492441 889138327 /nfs/dbraw/zinc/13/83/27/889138327.db2.gz IBLDKMFMNPORRN-VXNVDRBHSA-N 0 3 283.332 -1.467 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001401490114 889138810 /nfs/dbraw/zinc/13/88/10/889138810.db2.gz MSRXPFYKSQUEBA-JTQLQIEISA-N 0 3 283.332 -1.385 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCO1 ZINC001401486347 889138897 /nfs/dbraw/zinc/13/88/97/889138897.db2.gz GYMXGQPQAJXHQE-QWRGUYRKSA-N 0 3 287.360 -1.242 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnccn1 ZINC001401484694 889138936 /nfs/dbraw/zinc/13/89/36/889138936.db2.gz GESOQCVZVCIAOV-DTWKUNHWSA-N 0 3 281.316 -1.709 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CN[C@@H](C)c1n[nH]c(C)n1 ZINC001401491857 889138996 /nfs/dbraw/zinc/13/89/96/889138996.db2.gz XAOFGGPMMSKAIM-XVKPBYJWSA-N 0 3 298.347 -1.623 20 0 CAADHN Cc1cnc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001401491221 889139165 /nfs/dbraw/zinc/13/91/65/889139165.db2.gz MRNSQCAODFFPFB-DTWKUNHWSA-N 0 3 281.316 -1.661 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cn[nH]c1)C(=O)NC1CC1 ZINC001401485737 889139581 /nfs/dbraw/zinc/13/95/81/889139581.db2.gz HQOMSPDFRIMOQI-KWQFWETISA-N 0 3 295.343 -1.243 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001401480313 889139629 /nfs/dbraw/zinc/13/96/29/889139629.db2.gz ATOYTJXRCPIHSL-QWRGUYRKSA-N 0 3 287.360 -1.384 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)C1=COCCO1 ZINC001401491099 889140332 /nfs/dbraw/zinc/14/03/32/889140332.db2.gz LZIHJPLBIQHZKF-VIFPVBQESA-N 0 3 287.316 -1.923 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CN[C@H](C)c1n[nH]c(C)n1 ZINC001401491809 889140555 /nfs/dbraw/zinc/14/05/55/889140555.db2.gz XAOFGGPMMSKAIM-GMSGAONNSA-N 0 3 298.347 -1.623 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001401489042 889140839 /nfs/dbraw/zinc/14/08/39/889140839.db2.gz LKEAPPBCSIYWOW-VXGBXAGGSA-N 0 3 298.343 -1.598 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001401489039 889140669 /nfs/dbraw/zinc/14/06/69/889140669.db2.gz LKEAPPBCSIYWOW-RYUDHWBXSA-N 0 3 298.343 -1.598 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001401490116 889141006 /nfs/dbraw/zinc/14/10/06/889141006.db2.gz MSRXPFYKSQUEBA-SNVBAGLBSA-N 0 3 283.332 -1.385 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnns1 ZINC001401488375 889141130 /nfs/dbraw/zinc/14/11/30/889141130.db2.gz KAHLPGLMIUCWAH-LURJTMIESA-N 0 3 273.318 -2.036 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccn[nH]1 ZINC001401493765 889142083 /nfs/dbraw/zinc/14/20/83/889142083.db2.gz RMVYXNVDCXDDJT-SNVBAGLBSA-N 0 3 297.359 -1.043 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cnns1 ZINC001401495156 889142825 /nfs/dbraw/zinc/14/28/25/889142825.db2.gz VGGMEDFUERQYOY-NKWVEPMBSA-N 0 3 285.329 -1.893 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnc(C)cn1 ZINC001401497230 889143180 /nfs/dbraw/zinc/14/31/80/889143180.db2.gz VPQBWJZNZLVDFM-JTQLQIEISA-N 0 3 295.343 -1.399 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001401496566 889143601 /nfs/dbraw/zinc/14/36/01/889143601.db2.gz UNCBHMGXIVLTGJ-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001401493670 889144182 /nfs/dbraw/zinc/14/41/82/889144182.db2.gz BXMVXFWJJJINRW-ONGXEEELSA-N 0 3 297.359 -1.836 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](O)CNCc1ccns1 ZINC001401493483 889144295 /nfs/dbraw/zinc/14/42/95/889144295.db2.gz SIGAIVIGKYDIGF-QMMMGPOBSA-N 0 3 297.344 -1.604 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001401492667 889144377 /nfs/dbraw/zinc/14/43/77/889144377.db2.gz RQQGLONNQCXZHJ-JTQLQIEISA-N 0 3 294.319 -2.327 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1=COCCO1)C(N)=O ZINC001401493045 889144432 /nfs/dbraw/zinc/14/44/32/889144432.db2.gz PJOWOUJTLRWHTM-JGVFFNPUSA-N 0 3 273.289 -2.185 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001401498413 889145810 /nfs/dbraw/zinc/14/58/10/889145810.db2.gz FWSJBPCAJCJZNX-NXEZZACHSA-N 0 3 295.343 -1.323 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CCn1ccnn1 ZINC001401499861 889146086 /nfs/dbraw/zinc/14/60/86/889146086.db2.gz ZBDWKZRQCBQCRC-JTQLQIEISA-N 0 3 298.347 -2.177 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CCn1ccnn1 ZINC001401499866 889146349 /nfs/dbraw/zinc/14/63/49/889146349.db2.gz ZBDWKZRQCBQCRC-SNVBAGLBSA-N 0 3 298.347 -2.177 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnnc(C)c1 ZINC001401499554 889146414 /nfs/dbraw/zinc/14/64/14/889146414.db2.gz YNXNVYTXSJXYHH-LLVKDONJSA-N 0 3 295.343 -1.399 20 0 CAADHN O=C(NC[C@@H](O)CNCc1ccccn1)[C@H]1COC(=O)N1 ZINC001401504998 889146470 /nfs/dbraw/zinc/14/64/70/889146470.db2.gz JIKAYYDETQVWNN-WDEREUQCSA-N 0 3 294.311 -1.243 20 0 CAADHN Cc1cc(CC(=O)NC[C@@H](O)CNCC(N)=O)no1 ZINC001401500423 889146538 /nfs/dbraw/zinc/14/65/38/889146538.db2.gz DDAQQEPDWFZVQE-VIFPVBQESA-N 0 3 270.289 -1.922 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CNCc2cnn(C)c2)n1 ZINC001401501752 889146633 /nfs/dbraw/zinc/14/66/33/889146633.db2.gz GDARYILWTGJTMP-JTQLQIEISA-N 0 3 293.331 -1.571 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)n1cncn1 ZINC001401500760 889146756 /nfs/dbraw/zinc/14/67/56/889146756.db2.gz NMTQIMWVCSQHDA-IUCAKERBSA-N 0 3 284.320 -2.348 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CC1(O)CCC1 ZINC001401506220 889146811 /nfs/dbraw/zinc/14/68/11/889146811.db2.gz NFLXXWYNOYWBDC-JTQLQIEISA-N 0 3 287.360 -1.554 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1=COCCC1)N1CCC1 ZINC001401502488 889147122 /nfs/dbraw/zinc/14/71/22/889147122.db2.gz PAXUCNLEBRWJAM-LBPRGKRZSA-N 0 3 297.355 -1.020 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)c1N ZINC001401502063 889147378 /nfs/dbraw/zinc/14/73/78/889147378.db2.gz QALJRVLLOZMMLX-ZETCQYMHSA-N 0 3 284.320 -2.571 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001401504348 889147525 /nfs/dbraw/zinc/14/75/25/889147525.db2.gz LFHXWNMRSNLFKG-RKDXNWHRSA-N 0 3 296.331 -2.133 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)n1cncn1 ZINC001401500765 889147563 /nfs/dbraw/zinc/14/75/63/889147563.db2.gz NMTQIMWVCSQHDA-RKDXNWHRSA-N 0 3 284.320 -2.348 20 0 CAADHN CC(C)OCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001401501515 889147886 /nfs/dbraw/zinc/14/78/86/889147886.db2.gz WAYUEYTZCVIGBD-ZJUUUORDSA-N 0 3 273.333 -1.633 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCCCO1 ZINC001401517194 889148921 /nfs/dbraw/zinc/14/89/21/889148921.db2.gz OSZXNOOYKDMSIK-GHMZBOCLSA-N 0 3 287.360 -1.242 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cc(C)ncn1 ZINC001401520973 889148949 /nfs/dbraw/zinc/14/89/49/889148949.db2.gz RWXFRTWWUJNJOW-VHSXEESVSA-N 0 3 295.343 -1.400 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H](O)C(C)C ZINC001401516927 889149143 /nfs/dbraw/zinc/14/91/43/889149143.db2.gz YOUNFEYABKVIFO-CMPLNLGQSA-N 0 3 289.376 -1.452 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cncc(F)c1 ZINC001401517612 889149158 /nfs/dbraw/zinc/14/91/58/889149158.db2.gz PMLRIVOQOFZALP-QWRGUYRKSA-N 0 3 296.302 -1.211 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001401510457 889149190 /nfs/dbraw/zinc/14/91/90/889149190.db2.gz OKRTVNZDEURQBD-WPRPVWTQSA-N 0 3 283.332 -1.543 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1n[nH]c(C)c1C ZINC001401514515 889149383 /nfs/dbraw/zinc/14/93/83/889149383.db2.gz UKHIFIFFKIDTCO-VIFPVBQESA-N 0 3 283.332 -1.547 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC ZINC001401517737 889149534 /nfs/dbraw/zinc/14/95/34/889149534.db2.gz YAGTYZQGDJSRFF-IUCAKERBSA-N 0 3 298.347 -1.887 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H](O)C(C)C ZINC001401516929 889150362 /nfs/dbraw/zinc/15/03/62/889150362.db2.gz YOUNFEYABKVIFO-ZYHUDNBSSA-N 0 3 289.376 -1.452 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)cn1 ZINC001401508777 889150215 /nfs/dbraw/zinc/15/02/15/889150215.db2.gz MQNTYJPICNQTIU-WDEREUQCSA-N 0 3 295.343 -1.528 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@H]2CCN(C)C2=O)nn1 ZINC001401508600 889150259 /nfs/dbraw/zinc/15/02/59/889150259.db2.gz OOVOBQMWYFICQJ-IUCAKERBSA-N 0 3 296.331 -2.274 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](O)CN[C@H](C)C(=O)NC ZINC001401517748 889150516 /nfs/dbraw/zinc/15/05/16/889150516.db2.gz YAGTYZQGDJSRFF-RKDXNWHRSA-N 0 3 298.347 -1.887 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)cn1 ZINC001401508767 889150683 /nfs/dbraw/zinc/15/06/83/889150683.db2.gz MQNTYJPICNQTIU-GHMZBOCLSA-N 0 3 295.343 -1.528 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ncc(F)cc1F ZINC001401532786 889150998 /nfs/dbraw/zinc/15/09/98/889150998.db2.gz BOVAJBDZGQIGLE-ZETCQYMHSA-N 0 3 288.254 -1.475 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)Cn2cccn2)n[nH]1 ZINC001401511240 889151289 /nfs/dbraw/zinc/15/12/89/889151289.db2.gz MJZQUSOIAYQJGY-SNVBAGLBSA-N 0 3 293.331 -1.423 20 0 CAADHN COc1cccc(F)c1C(=O)NC[C@H](O)CNCC(N)=O ZINC001401508624 889151435 /nfs/dbraw/zinc/15/14/35/889151435.db2.gz MKISDEOKTUFPIY-MRVPVSSYSA-N 0 3 299.302 -1.000 20 0 CAADHN COCC1(CC(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001401509974 889151446 /nfs/dbraw/zinc/15/14/46/889151446.db2.gz QYPAQDNHYWHOMR-WDEREUQCSA-N 0 3 299.371 -1.242 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1n[nH]cc1F)NC1CC1 ZINC001401542558 889152727 /nfs/dbraw/zinc/15/27/27/889152727.db2.gz IDLFYVUEFQHTIT-MRVPVSSYSA-N 0 3 299.306 -1.492 20 0 CAADHN CCOc1cc(C(=O)NC[C@H](O)CNCC(=O)NC)[nH]n1 ZINC001401549183 889152895 /nfs/dbraw/zinc/15/28/95/889152895.db2.gz ZPMISBJZVINLRO-MRVPVSSYSA-N 0 3 299.331 -1.765 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001401550642 889152974 /nfs/dbraw/zinc/15/29/74/889152974.db2.gz YRORYWCBGBRUEN-MWLCHTKSSA-N 0 3 295.343 -2.003 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1n[nH]cc1F ZINC001401540018 889153011 /nfs/dbraw/zinc/15/30/11/889153011.db2.gz CYSBLKBFFXDIHK-SVRRBLITSA-N 0 3 285.279 -1.882 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001401544660 889153085 /nfs/dbraw/zinc/15/30/85/889153085.db2.gz PYASCNBPTMKLIB-VHSXEESVSA-N 0 3 295.343 -1.703 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(OC)nc1 ZINC001401536518 889153196 /nfs/dbraw/zinc/15/31/96/889153196.db2.gz JACADIKQXGONRG-SNVBAGLBSA-N 0 3 296.327 -1.484 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CNCc2cccnc2)n1 ZINC001401546612 889153349 /nfs/dbraw/zinc/15/33/49/889153349.db2.gz BMJACHYQVHJIOS-SNVBAGLBSA-N 0 3 291.315 -1.514 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cccc(=O)n1C)C(N)=O ZINC001401548539 889153412 /nfs/dbraw/zinc/15/34/12/889153412.db2.gz QCNYSCOAKNAPPN-RKDXNWHRSA-N 0 3 296.327 -2.061 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cc2n(n1)CCO2 ZINC001401540715 889153446 /nfs/dbraw/zinc/15/34/46/889153446.db2.gz AZESLCWPCATMPA-SSDOTTSWSA-N 0 3 283.288 -2.559 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001401548240 889153464 /nfs/dbraw/zinc/15/34/64/889153464.db2.gz XKLTZMQDJKOAGP-JGVFFNPUSA-N 0 3 297.315 -2.003 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)[nH]1 ZINC001401549081 889153600 /nfs/dbraw/zinc/15/36/00/889153600.db2.gz CCHDZDYPHGRQCH-VXNVDRBHSA-N 0 3 283.332 -1.419 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1cncnc1)C(N)=O ZINC001401544338 889153704 /nfs/dbraw/zinc/15/37/04/889153704.db2.gz FXMOWQIKWXIEMK-ONGXEEELSA-N 0 3 295.343 -1.650 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)Cc1ccc(F)cn1 ZINC001401536548 889153727 /nfs/dbraw/zinc/15/37/27/889153727.db2.gz IYDFBAYQLNEJBQ-JTQLQIEISA-N 0 3 284.291 -1.685 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001401549530 889153755 /nfs/dbraw/zinc/15/37/55/889153755.db2.gz FDOZEEQUGQSQKC-BBBLOLIVSA-N 0 3 298.343 -2.593 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001401548241 889153774 /nfs/dbraw/zinc/15/37/74/889153774.db2.gz XKLTZMQDJKOAGP-SFYZADRCSA-N 0 3 297.315 -2.003 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1cncnc1)C(N)=O ZINC001401544334 889153795 /nfs/dbraw/zinc/15/37/95/889153795.db2.gz FXMOWQIKWXIEMK-MWLCHTKSSA-N 0 3 295.343 -1.650 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnn2ncccc12 ZINC001401545961 889153833 /nfs/dbraw/zinc/15/38/33/889153833.db2.gz TUDOENPCQCWMGW-QMMMGPOBSA-N 0 3 292.299 -2.105 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001401550640 889153914 /nfs/dbraw/zinc/15/39/14/889153914.db2.gz YRORYWCBGBRUEN-KOLCDFICSA-N 0 3 295.343 -2.003 20 0 CAADHN CCOc1cc(C(=O)NC[C@@H](O)CNCC(=O)NC)[nH]n1 ZINC001401549188 889154025 /nfs/dbraw/zinc/15/40/25/889154025.db2.gz ZPMISBJZVINLRO-QMMMGPOBSA-N 0 3 299.331 -1.765 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001401544595 889154341 /nfs/dbraw/zinc/15/43/41/889154341.db2.gz PYASCNBPTMKLIB-NXEZZACHSA-N 0 3 295.343 -1.703 20 0 CAADHN CC(C)Cn1ccc(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001401549575 889154590 /nfs/dbraw/zinc/15/45/90/889154590.db2.gz YGFZCMZYOXYHOW-SNVBAGLBSA-N 0 3 297.359 -1.295 20 0 CAADHN COCC1(C(=O)NC[C@H](O)CNCC(=O)N(C)C)CC1 ZINC001401540217 889154677 /nfs/dbraw/zinc/15/46/77/889154677.db2.gz BXMRPCPODQSLOD-SNVBAGLBSA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC1(F)F ZINC001401537912 889154709 /nfs/dbraw/zinc/15/47/09/889154709.db2.gz JAMCXQCMQGDCCI-SFYZADRCSA-N 0 3 279.287 -1.156 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1n[nH]cc1F)NC1CC1 ZINC001401542570 889154733 /nfs/dbraw/zinc/15/47/33/889154733.db2.gz IDLFYVUEFQHTIT-QMMMGPOBSA-N 0 3 299.306 -1.492 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCOC1 ZINC001401550766 889155003 /nfs/dbraw/zinc/15/50/03/889155003.db2.gz SSUHCGQWFFZSSU-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@H](O)CNCC(N)=O)cn1C ZINC001401533985 889155039 /nfs/dbraw/zinc/15/50/39/889155039.db2.gz ASLPFVCUXJDMLI-SECBINFHSA-N 0 3 296.327 -2.141 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CCn1cnnn1 ZINC001401562914 889155943 /nfs/dbraw/zinc/15/59/43/889155943.db2.gz BONSSEXPIONCIE-IUCAKERBSA-N 0 3 299.335 -2.736 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001401563993 889155960 /nfs/dbraw/zinc/15/59/60/889155960.db2.gz PPVSUPCGNVTIOW-UWVGGRQHSA-N 0 3 288.348 -2.741 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnco1)NC1CC1 ZINC001401555469 889155999 /nfs/dbraw/zinc/15/59/99/889155999.db2.gz OPXSBIZQRMKTHH-VIFPVBQESA-N 0 3 282.300 -1.367 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1C ZINC001401563527 889156174 /nfs/dbraw/zinc/15/61/74/889156174.db2.gz HYQYGNUXCDRYOO-ZJUUUORDSA-N 0 3 295.343 -1.703 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001401563026 889156259 /nfs/dbraw/zinc/15/62/59/889156259.db2.gz XFUZWIUUWGINOJ-MEWQQHAOSA-N 0 3 299.371 -1.528 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001401563997 889156312 /nfs/dbraw/zinc/15/63/12/889156312.db2.gz PPVSUPCGNVTIOW-VHSXEESVSA-N 0 3 288.348 -2.741 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC001401564511 889156392 /nfs/dbraw/zinc/15/63/92/889156392.db2.gz CMIVKHKTDWJDRV-MDJFAJHMSA-N 0 3 281.356 -1.170 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnn2cc[nH]c12 ZINC001401558227 889156666 /nfs/dbraw/zinc/15/66/66/889156666.db2.gz CXGSUSIMYCQKND-MRVPVSSYSA-N 0 3 294.315 -1.911 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2csnn2)C1=O ZINC001401553458 889156823 /nfs/dbraw/zinc/15/68/23/889156823.db2.gz VVCDUTKPRMOFDV-JGVFFNPUSA-N 0 3 299.356 -1.551 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001401563887 889156900 /nfs/dbraw/zinc/15/69/00/889156900.db2.gz OZHUVOCEHZOLBB-JGVFFNPUSA-N 0 3 272.305 -2.935 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1oncc1C)C(N)=O ZINC001401560356 889157026 /nfs/dbraw/zinc/15/70/26/889157026.db2.gz HLDFKBSHOSESOW-IUCAKERBSA-N 0 3 284.316 -1.073 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)n1 ZINC001401556105 889157130 /nfs/dbraw/zinc/15/71/30/889157130.db2.gz BTNSHLIELMRIIT-RKDXNWHRSA-N 0 3 296.331 -2.226 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1[nH]c(C)nc1C ZINC001401563547 889157275 /nfs/dbraw/zinc/15/72/75/889157275.db2.gz WMRFWAVQNKPHOJ-SCZZXKLOSA-N 0 3 297.359 -1.159 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001401562971 889157348 /nfs/dbraw/zinc/15/73/48/889157348.db2.gz XFUZWIUUWGINOJ-DCQANWLSSA-N 0 3 299.371 -1.528 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc2n(n1)CCO2 ZINC001401560654 889157426 /nfs/dbraw/zinc/15/74/26/889157426.db2.gz UVHZLPFHVVHEKV-MRVPVSSYSA-N 0 3 297.315 -2.298 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1[nH]c(C)nc1C ZINC001401563565 889157741 /nfs/dbraw/zinc/15/77/41/889157741.db2.gz WMRFWAVQNKPHOJ-WPRPVWTQSA-N 0 3 297.359 -1.159 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CCn1ccnc1 ZINC001401556881 889157786 /nfs/dbraw/zinc/15/77/86/889157786.db2.gz PMOSBWBUFNANPS-NSHDSACASA-N 0 3 297.359 -1.572 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CCn1cnnn1 ZINC001401562904 889157885 /nfs/dbraw/zinc/15/78/85/889157885.db2.gz BONSSEXPIONCIE-DTWKUNHWSA-N 0 3 299.335 -2.736 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001401558129 889157999 /nfs/dbraw/zinc/15/79/99/889157999.db2.gz FJGDZPMRMSQBSV-HTQZYQBOSA-N 0 3 284.320 -2.370 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCc1ccon1 ZINC001401554959 889158020 /nfs/dbraw/zinc/15/80/20/889158020.db2.gz RFNNTWKGISJGFV-VIFPVBQESA-N 0 3 270.289 -1.841 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CCn1cnnn1 ZINC001401562922 889158065 /nfs/dbraw/zinc/15/80/65/889158065.db2.gz BONSSEXPIONCIE-RKDXNWHRSA-N 0 3 299.335 -2.736 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cccnc1OC ZINC001401556273 889158140 /nfs/dbraw/zinc/15/81/40/889158140.db2.gz OKHQTMHWFRASPN-VIFPVBQESA-N 0 3 296.327 -1.484 20 0 CAADHN CCc1nc(C)c(C(=O)NC[C@@H](O)CNCC(N)=O)o1 ZINC001401558064 889158510 /nfs/dbraw/zinc/15/85/10/889158510.db2.gz CYDGZOCINBYOKZ-QMMMGPOBSA-N 0 3 284.316 -1.289 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1nnn(C)n1 ZINC001401563256 889158538 /nfs/dbraw/zinc/15/85/38/889158538.db2.gz SNTDAGNTLGKNBJ-SSDOTTSWSA-N 0 3 285.308 -3.021 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1cnoc1)C(N)=O ZINC001401565023 889159857 /nfs/dbraw/zinc/15/98/57/889159857.db2.gz YHYHQHULRPRUOJ-VHSXEESVSA-N 0 3 284.316 -1.452 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)nn1 ZINC001401569218 889159965 /nfs/dbraw/zinc/15/99/65/889159965.db2.gz QHBRIBUVFHWRTR-HTQZYQBOSA-N 0 3 297.315 -1.961 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccncn1)C(N)=O ZINC001401566450 889160047 /nfs/dbraw/zinc/16/00/47/889160047.db2.gz AZNMRQPGAMDCTR-BDAKNGLRSA-N 0 3 281.316 -1.579 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1[nH]cnc1C ZINC001401574319 889160336 /nfs/dbraw/zinc/16/03/36/889160336.db2.gz YNRZSJMPKDAVFE-SNVBAGLBSA-N 0 3 297.359 -1.537 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1COc2ccccc21 ZINC001401571323 889160531 /nfs/dbraw/zinc/16/05/31/889160531.db2.gz JXKWEZIGXFFAJZ-MWLCHTKSSA-N 0 3 293.323 -1.285 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001401566707 889160859 /nfs/dbraw/zinc/16/08/59/889160859.db2.gz BEQNSTPREPVVCO-MRVPVSSYSA-N 0 3 285.304 -1.772 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1ncccc1F ZINC001401567743 889161063 /nfs/dbraw/zinc/16/10/63/889161063.db2.gz LIZMTTPSSABBFH-SECBINFHSA-N 0 3 298.318 -1.424 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001401566920 889161098 /nfs/dbraw/zinc/16/10/98/889161098.db2.gz BEQNSTPREPVVCO-QMMMGPOBSA-N 0 3 285.304 -1.772 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1[nH]cnc1C ZINC001401572182 889161197 /nfs/dbraw/zinc/16/11/97/889161197.db2.gz UWZJCVOWTPOKKM-VIFPVBQESA-N 0 3 283.332 -1.927 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)nn1 ZINC001401572462 889161267 /nfs/dbraw/zinc/16/12/67/889161267.db2.gz SWZDPKWXWPAWJW-ZETCQYMHSA-N 0 3 283.288 -2.349 20 0 CAADHN O=C(Cn1ccnc1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001401568210 889161371 /nfs/dbraw/zinc/16/13/71/889161371.db2.gz GQYNJJZPGYOWSM-QWRGUYRKSA-N 0 3 295.343 -1.772 20 0 CAADHN O=C(Cn1ccnc1)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001401568205 889161437 /nfs/dbraw/zinc/16/14/37/889161437.db2.gz GQYNJJZPGYOWSM-GHMZBOCLSA-N 0 3 295.343 -1.772 20 0 CAADHN CCCc1n[nH]cc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001401569914 889161495 /nfs/dbraw/zinc/16/14/95/889161495.db2.gz SHMOQKOPCBBOKB-DTWKUNHWSA-N 0 3 297.359 -1.084 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1ncccc1F ZINC001401567751 889161531 /nfs/dbraw/zinc/16/15/31/889161531.db2.gz LIZMTTPSSABBFH-VIFPVBQESA-N 0 3 298.318 -1.424 20 0 CAADHN O=C(Cn1ccnc1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001401568213 889161554 /nfs/dbraw/zinc/16/15/54/889161554.db2.gz GQYNJJZPGYOWSM-WDEREUQCSA-N 0 3 295.343 -1.772 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)CCOC1 ZINC001401574542 889161671 /nfs/dbraw/zinc/16/16/71/889161671.db2.gz LEGJIDPSKJHSKL-FZMZJTMJSA-N 0 3 299.371 -1.242 20 0 CAADHN CCn1cnc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)c1 ZINC001401585314 889163846 /nfs/dbraw/zinc/16/38/46/889163846.db2.gz OXUABPPBKBNETB-NXEZZACHSA-N 0 3 295.343 -1.528 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCn1cccc1)C(N)=O ZINC001401574599 889163936 /nfs/dbraw/zinc/16/39/36/889163936.db2.gz LLJIWEOMDRZQRG-WDEREUQCSA-N 0 3 282.344 -1.181 20 0 CAADHN CN(CC(=O)NC[C@@H](O)CNCC(N)=O)c1ccccc1 ZINC001401579428 889164013 /nfs/dbraw/zinc/16/40/13/889164013.db2.gz XLBCMFKWWREFML-LBPRGKRZSA-N 0 3 294.355 -1.325 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1ccn(C)n1)C(N)=O ZINC001401581764 889164036 /nfs/dbraw/zinc/16/40/36/889164036.db2.gz NVTQALMEJAEQNA-BDAKNGLRSA-N 0 3 283.332 -1.636 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCC(=O)N1)NC1CC1 ZINC001401583266 889164499 /nfs/dbraw/zinc/16/44/99/889164499.db2.gz MFNUGESUUVHSPI-UWVGGRQHSA-N 0 3 298.343 -2.390 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(OC)nn1 ZINC001401574600 889164511 /nfs/dbraw/zinc/16/45/11/889164511.db2.gz WVRNFCDAENGUEB-QMMMGPOBSA-N 0 3 297.315 -2.089 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cc1cncn1C)C(N)=O ZINC001401585174 889164950 /nfs/dbraw/zinc/16/49/50/889164950.db2.gz OPMYCXIMVZONPJ-QWRGUYRKSA-N 0 3 297.359 -1.707 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001401585201 889165003 /nfs/dbraw/zinc/16/50/03/889165003.db2.gz YPWHGERYKYXIBK-SNVBAGLBSA-N 0 3 283.332 -1.893 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001401576967 889165649 /nfs/dbraw/zinc/16/56/49/889165649.db2.gz ZORXBUJUWYGDEZ-ZJUUUORDSA-N 0 3 296.327 -1.058 20 0 CAADHN Cc1nn(C)cc1CNC[C@H](O)CNC(=O)c1cnon1 ZINC001401582650 889165977 /nfs/dbraw/zinc/16/59/77/889165977.db2.gz OEUAWPMYKPLOBW-JTQLQIEISA-N 0 3 294.315 -1.008 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCn1cccc1)C(N)=O ZINC001401574594 889166070 /nfs/dbraw/zinc/16/60/70/889166070.db2.gz LLJIWEOMDRZQRG-MNOVXSKESA-N 0 3 282.344 -1.181 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cccnn1)C(=O)N(C)C ZINC001401586902 889166888 /nfs/dbraw/zinc/16/68/88/889166888.db2.gz VKYUHSHMCOZDJT-NXEZZACHSA-N 0 3 295.343 -1.366 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1cnon1)N1CCCC1 ZINC001401586736 889167050 /nfs/dbraw/zinc/16/70/50/889167050.db2.gz UVQAYDAJLSYGNA-SECBINFHSA-N 0 3 297.315 -1.628 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H](C)CC(N)=O ZINC001401598745 889167154 /nfs/dbraw/zinc/16/71/54/889167154.db2.gz KXWGWZJDFHIEFY-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1COC(=O)C1 ZINC001401613348 889167419 /nfs/dbraw/zinc/16/74/19/889167419.db2.gz VBXLOOQXTOOWKQ-RKDXNWHRSA-N 0 3 271.317 -1.220 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001401613493 889167617 /nfs/dbraw/zinc/16/76/17/889167617.db2.gz VNQSEWRRVVFIPM-NXEZZACHSA-N 0 3 296.371 -1.115 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CNC(=O)COC)C1=O ZINC001401593320 889167814 /nfs/dbraw/zinc/16/78/14/889167814.db2.gz DIISGQJMYGUEOW-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)c1cccnc1 ZINC001401590715 889167903 /nfs/dbraw/zinc/16/79/03/889167903.db2.gz WFKXXTFRNDANBB-CMPLNLGQSA-N 0 3 294.355 -1.002 20 0 CAADHN COCCC(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001401603803 889168273 /nfs/dbraw/zinc/16/82/73/889168273.db2.gz SMWZPBCFUKXYMI-MRVPVSSYSA-N 0 3 271.321 -1.261 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1cn(C)nn1)C(N)=O ZINC001401586339 889168293 /nfs/dbraw/zinc/16/82/93/889168293.db2.gz XXVFGCSUMNUFES-WPRPVWTQSA-N 0 3 298.347 -2.312 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CNC(=O)COC)C1=O ZINC001401593321 889168309 /nfs/dbraw/zinc/16/83/09/889168309.db2.gz DIISGQJMYGUEOW-UWVGGRQHSA-N 0 3 273.333 -1.680 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001401611984 889168378 /nfs/dbraw/zinc/16/83/78/889168378.db2.gz KORNKBXEUUDLBO-BDAKNGLRSA-N 0 3 270.333 -1.505 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)c1cccnc1 ZINC001401590717 889168518 /nfs/dbraw/zinc/16/85/18/889168518.db2.gz WFKXXTFRNDANBB-JQWIXIFHSA-N 0 3 294.355 -1.002 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H](C)NC(C)=O ZINC001401590312 889168648 /nfs/dbraw/zinc/16/86/48/889168648.db2.gz KFJZJLMPIBPGMT-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)c1nccnc1N ZINC001401595752 889168674 /nfs/dbraw/zinc/16/86/74/889168674.db2.gz GQKYOSHFMJAPNA-SECBINFHSA-N 0 3 292.343 -1.001 20 0 CAADHN CC(=O)N[C@H](C)CNCC(=O)N1CCC(C(N)=O)CC1 ZINC001401603494 889168705 /nfs/dbraw/zinc/16/87/05/889168705.db2.gz QPCWFFLVTNZZNC-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CNC(=O)COC)C1=O ZINC001401593323 889168774 /nfs/dbraw/zinc/16/87/74/889168774.db2.gz DIISGQJMYGUEOW-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001401613499 889168859 /nfs/dbraw/zinc/16/88/59/889168859.db2.gz VNQSEWRRVVFIPM-ZJUUUORDSA-N 0 3 296.371 -1.115 20 0 CAADHN CCC(=O)NCC(=O)N(CC)CCN[C@@H]1CCNC1=O ZINC001401599797 889168914 /nfs/dbraw/zinc/16/89/14/889168914.db2.gz PRJNHAVHWXLLQN-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccn2nnnc2c1 ZINC001401637618 889170255 /nfs/dbraw/zinc/17/02/55/889170255.db2.gz HKSVEKCPUPEVRX-MRVPVSSYSA-N 0 3 291.315 -1.422 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cccc2ncnn21 ZINC001401636357 889170348 /nfs/dbraw/zinc/17/03/48/889170348.db2.gz NSMCGDTYMCCKRY-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001401627484 889170432 /nfs/dbraw/zinc/17/04/32/889170432.db2.gz JEBBZPDLVWRVLI-WCBMZHEXSA-N 0 3 295.343 -1.933 20 0 CAADHN C[C@H](CN[C@H]1CCCN(C)C1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001401622117 889170445 /nfs/dbraw/zinc/17/04/45/889170445.db2.gz SSCWCLOZSYUCBT-MXWKQRLJSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1cn(C)ccc1=O ZINC001401632663 889170465 /nfs/dbraw/zinc/17/04/65/889170465.db2.gz WYJGQARVWWDUOP-MWLCHTKSSA-N 0 3 292.339 -1.018 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001401639132 889170523 /nfs/dbraw/zinc/17/05/23/889170523.db2.gz HPEVOCBRKBVTPI-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN Cc1nc([C@@H](C)NC[C@@H](C)NC(=O)Cn2ncnn2)n[nH]1 ZINC001401616098 889170648 /nfs/dbraw/zinc/17/06/48/889170648.db2.gz CIOIQRIXFKCPNI-HTQZYQBOSA-N 0 3 293.335 -1.045 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001401628740 889170762 /nfs/dbraw/zinc/17/07/62/889170762.db2.gz ONPADNGFPOATKM-KXUCPTDWSA-N 0 3 282.344 -1.362 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)CC(N)=O ZINC001401637271 889170999 /nfs/dbraw/zinc/17/09/99/889170999.db2.gz GAMINODCYGJQQW-RKDXNWHRSA-N 0 3 272.349 -1.272 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cnc(C)[nH]1 ZINC001401621779 889171027 /nfs/dbraw/zinc/17/10/27/889171027.db2.gz QKIPJICGOJIGSQ-SSDOTTSWSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1ccnc2n[nH]nc21 ZINC001401631457 889171123 /nfs/dbraw/zinc/17/11/23/889171123.db2.gz POASZIYJTFLMJR-ZCFIWIBFSA-N 0 3 277.288 -1.454 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1cnco1 ZINC001401637347 889171146 /nfs/dbraw/zinc/17/11/46/889171146.db2.gz COPQNEBROJQITL-RNFRBKRXSA-N 0 3 283.288 -1.034 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CN(C)CCO1 ZINC001401616429 889171301 /nfs/dbraw/zinc/17/13/01/889171301.db2.gz DROJBDSUGIUUNM-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)c1nnn(C)n1 ZINC001401635896 889171314 /nfs/dbraw/zinc/17/13/14/889171314.db2.gz BLFFWQWNNVOFCJ-MRVPVSSYSA-N 0 3 281.320 -1.850 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CNC(=O)C1CC1 ZINC001401616220 889171334 /nfs/dbraw/zinc/17/13/34/889171334.db2.gz PUVJAOZHZSWUQX-MRVPVSSYSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cnc2n1CCOC2 ZINC001401628641 889171468 /nfs/dbraw/zinc/17/14/68/889171468.db2.gz QHDSBRSYZBNBSI-BDAKNGLRSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN1CCN(C)C(=O)C1 ZINC001401634284 889171486 /nfs/dbraw/zinc/17/14/86/889171486.db2.gz WNBJRFZYQMUMAZ-SECBINFHSA-N 0 3 285.348 -2.660 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1ncc[nH]1 ZINC001401623603 889171741 /nfs/dbraw/zinc/17/17/41/889171741.db2.gz PCBZGRKVHJGCPN-SSDOTTSWSA-N 0 3 282.304 -1.427 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001401637448 889171827 /nfs/dbraw/zinc/17/18/27/889171827.db2.gz HJJHGFICCIMENN-SFYZADRCSA-N 0 3 283.332 -1.032 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)c1cnn(C)c1N ZINC001401676471 889173716 /nfs/dbraw/zinc/17/37/16/889173716.db2.gz MGDGNYQLNCZJQT-WPRPVWTQSA-N 0 3 294.359 -1.011 20 0 CAADHN COc1c(C(=O)N[C@H](C)CNCC(N)=O)c(C)nn1C ZINC001401648789 889173747 /nfs/dbraw/zinc/17/37/47/889173747.db2.gz VLBAYGDUJRPPKA-SSDOTTSWSA-N 0 3 283.332 -1.070 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001401639448 889173814 /nfs/dbraw/zinc/17/38/14/889173814.db2.gz MWKJSPIATWCRPD-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CN1CCCC1=O ZINC001401665447 889174068 /nfs/dbraw/zinc/17/40/68/889174068.db2.gz ASAAOHFUXSMKBJ-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1nc(C)c[nH]1 ZINC001401651011 889174142 /nfs/dbraw/zinc/17/41/42/889174142.db2.gz ICHNRHBKXABPDJ-SSDOTTSWSA-N 0 3 296.331 -1.118 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1nnn(C(C)(C)C)n1 ZINC001401681080 889174574 /nfs/dbraw/zinc/17/45/74/889174574.db2.gz MTMANRORWMSRPX-QMMMGPOBSA-N 0 3 297.363 -1.118 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001401662550 889174640 /nfs/dbraw/zinc/17/46/40/889174640.db2.gz XYWQMMXTCOIQRO-SSDOTTSWSA-N 0 3 297.315 -2.060 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001401680224 889174686 /nfs/dbraw/zinc/17/46/86/889174686.db2.gz CHFURQKOHBRLTI-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001401672707 889174776 /nfs/dbraw/zinc/17/47/76/889174776.db2.gz OVGCQTGATRZFTB-JGVFFNPUSA-N 0 3 272.305 -1.675 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001401680952 889175047 /nfs/dbraw/zinc/17/50/47/889175047.db2.gz HKDYLPFNSKGYRN-VHSXEESVSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CCNC(=O)C1 ZINC001401682589 889175164 /nfs/dbraw/zinc/17/51/64/889175164.db2.gz VNQSEWRRVVFIPM-UWVGGRQHSA-N 0 3 296.371 -1.115 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001401672717 889175185 /nfs/dbraw/zinc/17/51/85/889175185.db2.gz OVGCQTGATRZFTB-YUMQZZPRSA-N 0 3 272.305 -1.675 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)n1 ZINC001401662137 889175217 /nfs/dbraw/zinc/17/52/17/889175217.db2.gz NNYAHNHFVNGLPJ-RKDXNWHRSA-N 0 3 293.327 -1.623 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001401647580 889175242 /nfs/dbraw/zinc/17/52/42/889175242.db2.gz LZHRWUNFSHCZCB-MXWKQRLJSA-N 0 3 296.371 -1.176 20 0 CAADHN Cc1nonc1C(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001401665722 889175406 /nfs/dbraw/zinc/17/54/06/889175406.db2.gz OUELAJMGMUYFJZ-ZCFIWIBFSA-N 0 3 295.303 -1.292 20 0 CAADHN CCn1ncc(C(=O)N[C@@H](C)CN[C@@H]2CCNC2=O)n1 ZINC001401680167 889175454 /nfs/dbraw/zinc/17/54/54/889175454.db2.gz BPZDWKZBMBSMTM-DTWKUNHWSA-N 0 3 280.332 -1.106 20 0 CAADHN C[C@@H](CNCc1ccnn1C)NC(=O)Cn1ncnn1 ZINC001401682208 889175830 /nfs/dbraw/zinc/17/58/30/889175830.db2.gz WGHHHZWKABFFKD-VIFPVBQESA-N 0 3 278.320 -1.299 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)Cn1cnnn1 ZINC001401671344 889175947 /nfs/dbraw/zinc/17/59/47/889175947.db2.gz OYNVNKMVLJYTSF-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)CNCC(=O)NC ZINC001401658540 889175967 /nfs/dbraw/zinc/17/59/67/889175967.db2.gz OBXXXCBCTDISJB-RKDXNWHRSA-N 0 3 287.364 -1.336 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001401671641 889176014 /nfs/dbraw/zinc/17/60/14/889176014.db2.gz KORNKBXEUUDLBO-IUCAKERBSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCn1ccnn1 ZINC001401676562 889176218 /nfs/dbraw/zinc/17/62/18/889176218.db2.gz RFWBCLYWYDSIDM-VHSXEESVSA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cnn2cccnc12 ZINC001401640304 889176278 /nfs/dbraw/zinc/17/62/78/889176278.db2.gz PZLWUILEMVNTTC-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cnn(C)c1OC ZINC001401661971 889176294 /nfs/dbraw/zinc/17/62/94/889176294.db2.gz ZVNHRAPJWTZPJE-MRVPVSSYSA-N 0 3 283.332 -1.117 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001401647570 889176308 /nfs/dbraw/zinc/17/63/08/889176308.db2.gz LVOZJQXRVSVXQP-BBBLOLIVSA-N 0 3 284.360 -1.272 20 0 CAADHN CO[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)c1cnn(C)c1 ZINC001401694218 889177604 /nfs/dbraw/zinc/17/76/04/889177604.db2.gz RHWGIZDCAATMBQ-GZMMTYOYSA-N 0 3 283.332 -1.313 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001401702114 889177722 /nfs/dbraw/zinc/17/77/22/889177722.db2.gz QHCHDZILRQQEPM-RXKWGBCNSA-N 0 3 298.343 -1.444 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001401699220 889177781 /nfs/dbraw/zinc/17/77/81/889177781.db2.gz FKDADARVNOJOLS-GUBZILKMSA-N 0 3 284.360 -1.164 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001401699365 889178121 /nfs/dbraw/zinc/17/81/21/889178121.db2.gz GUHKDFPQGZFVRF-WYOJIJJFSA-N 0 3 295.343 -1.405 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCN1C(C)=O ZINC001401721316 889178193 /nfs/dbraw/zinc/17/81/93/889178193.db2.gz GBVBEOMSBIPLAX-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccn2nnnc2c1 ZINC001401699218 889178232 /nfs/dbraw/zinc/17/82/32/889178232.db2.gz HKSVEKCPUPEVRX-QMMMGPOBSA-N 0 3 291.315 -1.422 20 0 CAADHN CNC(=O)c1ccc(C(=O)N[C@@H](C)CNCC(N)=O)cn1 ZINC001401712680 889178328 /nfs/dbraw/zinc/17/83/28/889178328.db2.gz JMIMYGQDYYDAHJ-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)Cc1cncn1C ZINC001401718594 889178376 /nfs/dbraw/zinc/17/83/76/889178376.db2.gz QXJPYLVZZYTAOU-ONGXEEELSA-N 0 3 279.344 -1.055 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001401719339 889178467 /nfs/dbraw/zinc/17/84/67/889178467.db2.gz KZSQRSJDHPYGDE-ZETCQYMHSA-N 0 3 280.350 -2.624 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001401697352 889178488 /nfs/dbraw/zinc/17/84/88/889178488.db2.gz YJMARGRKKJGUJJ-QMMMGPOBSA-N 0 3 291.315 -1.422 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001401703679 889178621 /nfs/dbraw/zinc/17/86/21/889178621.db2.gz XVNGFBJQEZFEOW-QMMMGPOBSA-N 0 3 281.316 -1.386 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001401696836 889179019 /nfs/dbraw/zinc/17/90/19/889179019.db2.gz ZYCLGBOWIWQCRY-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CCNC(N)=O ZINC001401723917 889179179 /nfs/dbraw/zinc/17/91/79/889179179.db2.gz PSPFFQMVWPZPJS-JGVFFNPUSA-N 0 3 271.321 -1.972 20 0 CAADHN C[C@@H](CNCc1nnnn1C)NC(=O)CN1CCCC1 ZINC001401724616 889179218 /nfs/dbraw/zinc/17/92/18/889179218.db2.gz ZTRDWXSWYXIOCU-JTQLQIEISA-N 0 3 281.364 -1.100 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001401684373 889179282 /nfs/dbraw/zinc/17/92/82/889179282.db2.gz GBCHFDBFDQLFQK-YUMQZZPRSA-N 0 3 272.305 -1.675 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001401696838 889179443 /nfs/dbraw/zinc/17/94/43/889179443.db2.gz ZYCLGBOWIWQCRY-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CCCNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001401704108 889179456 /nfs/dbraw/zinc/17/94/56/889179456.db2.gz WDJBJKYRCYYBNR-IUCAKERBSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)COCC(F)F ZINC001401693398 889179516 /nfs/dbraw/zinc/17/95/16/889179516.db2.gz RVORJOCBJRRNSI-LURJTMIESA-N 0 3 296.274 -1.443 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1nc2ncccn2n1 ZINC001401711438 889179639 /nfs/dbraw/zinc/17/96/39/889179639.db2.gz GJVNKXAJLCQWLH-ZETCQYMHSA-N 0 3 277.288 -1.683 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001401698165 889179686 /nfs/dbraw/zinc/17/96/86/889179686.db2.gz AUBWYERWXWAESE-JGVFFNPUSA-N 0 3 281.316 -1.258 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CNCc1n[nH]c(C)n1 ZINC001401685775 889179817 /nfs/dbraw/zinc/17/98/17/889179817.db2.gz BJBZUNZVZUWJOT-ZETCQYMHSA-N 0 3 283.336 -1.364 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001401720019 889179832 /nfs/dbraw/zinc/17/98/32/889179832.db2.gz CJVUAAXHPPGXCV-DTWKUNHWSA-N 0 3 297.359 -1.434 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001401723688 889179868 /nfs/dbraw/zinc/17/98/68/889179868.db2.gz LZIXXKHRKVFSDF-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN CCN(CC)C(=O)CNC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001401703299 889179924 /nfs/dbraw/zinc/17/99/24/889179924.db2.gz UBTHZOQEBBVMSJ-VIFPVBQESA-N 0 3 297.363 -1.214 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001401688315 889180019 /nfs/dbraw/zinc/18/00/19/889180019.db2.gz YSDHKDDIJRQBHN-IONNQARKSA-N 0 3 291.373 -1.611 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccn(CCOC)n1 ZINC001401695903 889180319 /nfs/dbraw/zinc/18/03/19/889180319.db2.gz NDZCRSXRJMQBSO-JTQLQIEISA-N 0 3 297.359 -1.017 20 0 CAADHN CCn1ccc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)n1 ZINC001401706529 889180341 /nfs/dbraw/zinc/18/03/41/889180341.db2.gz RSGOJVKHVGDIAI-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)c1ncn(C)n1 ZINC001401760609 889182485 /nfs/dbraw/zinc/18/24/85/889182485.db2.gz MXNXXNQSWCPJRZ-UWVGGRQHSA-N 0 3 285.348 -1.128 20 0 CAADHN C[C@@H](CN(C)CC(=O)NC(N)=O)NC(=O)Cc1cnc[nH]1 ZINC001401789285 889182278 /nfs/dbraw/zinc/18/22/78/889182278.db2.gz ZYDNQUXHHXBRAS-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001401727405 889182642 /nfs/dbraw/zinc/18/26/42/889182642.db2.gz KNYQBJZERPSYQQ-YUMQZZPRSA-N 0 3 271.321 -1.891 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN(C)CCn1cncn1 ZINC001401748023 889182660 /nfs/dbraw/zinc/18/26/60/889182660.db2.gz BEODOUZGLOOBEB-JTQLQIEISA-N 0 3 297.363 -1.356 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCCC(N)=O ZINC001401729317 889183933 /nfs/dbraw/zinc/18/39/33/889183933.db2.gz SEHDGUWDIPWFDU-IUCAKERBSA-N 0 3 270.333 -1.375 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN(C)CCn1cncn1 ZINC001401748030 889184307 /nfs/dbraw/zinc/18/43/07/889184307.db2.gz BEODOUZGLOOBEB-SNVBAGLBSA-N 0 3 297.363 -1.356 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)c1nnn(C)n1 ZINC001401784512 889184348 /nfs/dbraw/zinc/18/43/48/889184348.db2.gz UVTFLAYUDXLFMS-VIFPVBQESA-N 0 3 293.335 -1.448 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CN1CCCNC1=O ZINC001401750808 889184466 /nfs/dbraw/zinc/18/44/66/889184466.db2.gz IYLDQTGMTOXYAE-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CCn1cncn1)C1CC1 ZINC001401831464 889185739 /nfs/dbraw/zinc/18/57/39/889185739.db2.gz OHACKOMLHMAAJL-SNVBAGLBSA-N 0 3 280.332 -1.362 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CS(=O)(=O)N(C)C ZINC001401796056 889185829 /nfs/dbraw/zinc/18/58/29/889185829.db2.gz BTIQBNKOXGBFBK-VIFPVBQESA-N 0 3 281.378 -1.693 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CS(C)(=O)=O)C1CC1 ZINC001401839817 889186050 /nfs/dbraw/zinc/18/60/50/889186050.db2.gz VTGJERAEXXMNTE-VIFPVBQESA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@]1(C(=O)N[C@H](CNCC(N)=O)C2CC2)CCNC(=O)C1 ZINC001401849283 889186065 /nfs/dbraw/zinc/18/60/65/889186065.db2.gz AYNKJAUVYSQUMU-YGRLFVJLSA-N 0 3 296.371 -1.128 20 0 CAADHN C[C@@]1(C(=O)N[C@@H](CNCC(N)=O)C2CC2)CCNC(=O)C1 ZINC001401849269 889186100 /nfs/dbraw/zinc/18/61/00/889186100.db2.gz AYNKJAUVYSQUMU-IINYFYTJSA-N 0 3 296.371 -1.128 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001401858753 889186262 /nfs/dbraw/zinc/18/62/62/889186262.db2.gz DRNUPOUIOHSMKT-UWVGGRQHSA-N 0 3 292.343 -1.280 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001401842411 889186453 /nfs/dbraw/zinc/18/64/53/889186453.db2.gz OCWDNQAYELICKA-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)c1nnn(C)n1)C1CC1)C(N)=O ZINC001401849673 889186558 /nfs/dbraw/zinc/18/65/58/889186558.db2.gz JZYNVMOBGXMVIS-SVRRBLITSA-N 0 3 281.320 -1.818 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001401842440 889187495 /nfs/dbraw/zinc/18/74/95/889187495.db2.gz OONHFXWTOVCOPU-MNOVXSKESA-N 0 3 296.371 -1.115 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CNCC(=O)NC1CC1)C1CC1 ZINC001401824458 889187523 /nfs/dbraw/zinc/18/75/23/889187523.db2.gz LFRNDYVDEBVNAU-GFCCVEGCSA-N 0 3 296.371 -1.115 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)C1 ZINC001401827839 889187764 /nfs/dbraw/zinc/18/77/64/889187764.db2.gz BHUSWLINRGHADJ-GHMZBOCLSA-N 0 3 284.360 -1.713 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)c1cnn(C)n1)C1CC1 ZINC001401853035 889187781 /nfs/dbraw/zinc/18/77/81/889187781.db2.gz FFYGEVDYCZRPPN-VIFPVBQESA-N 0 3 280.332 -1.341 20 0 CAADHN CCNC(=O)C[NH2+]C[C@H](NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001401857291 889187808 /nfs/dbraw/zinc/18/78/08/889187808.db2.gz ATEWAXFMDVCRQQ-JTQLQIEISA-N 0 3 294.359 -1.032 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001401842400 889187854 /nfs/dbraw/zinc/18/78/54/889187854.db2.gz OCWDNQAYELICKA-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H]([NH2+]C[C@@H](NC(=O)Cc1nnc[n-]1)C1CC1)C(N)=O ZINC001401878118 889188657 /nfs/dbraw/zinc/18/86/57/889188657.db2.gz VJAGDMMEFQVPFR-IONNQARKSA-N 0 3 280.332 -1.295 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@H]1CCN1C(C)C ZINC001401894500 889189933 /nfs/dbraw/zinc/18/99/33/889189933.db2.gz AJQKMGGYRCAHDW-SECBINFHSA-N 0 3 278.378 -1.361 20 0 CAADHN C[C@H]([NH2+]C[C@H](NC(=O)Cc1nnc[n-]1)C1CC1)C(N)=O ZINC001401878114 889189959 /nfs/dbraw/zinc/18/99/59/889189959.db2.gz VJAGDMMEFQVPFR-CBAPKCEASA-N 0 3 280.332 -1.295 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001401862839 889190304 /nfs/dbraw/zinc/19/03/04/889190304.db2.gz DJNOCPIYBZBLJV-MRVPVSSYSA-N 0 3 271.321 -1.986 20 0 CAADHN COC[C@H](O)CN1CC[C@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001401898317 889190434 /nfs/dbraw/zinc/19/04/34/889190434.db2.gz UEWBFJFBOIKMOH-WDEREUQCSA-N 0 3 297.359 -1.147 20 0 CAADHN COC[C@H](O)CN1CC[C@@H]1CNC(=O)Cc1n[nH]c(C)n1 ZINC001401898316 889190496 /nfs/dbraw/zinc/19/04/96/889190496.db2.gz UEWBFJFBOIKMOH-GHMZBOCLSA-N 0 3 297.359 -1.147 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001401858757 889190981 /nfs/dbraw/zinc/19/09/81/889190981.db2.gz DRNUPOUIOHSMKT-VHSXEESVSA-N 0 3 292.343 -1.280 20 0 CAADHN CC[C@H](NC1(CNC(=O)Cn2cncn2)CC1)C(N)=O ZINC001401981038 889195987 /nfs/dbraw/zinc/19/59/87/889195987.db2.gz AUOLHEXVIVLHHB-VIFPVBQESA-N 0 3 280.332 -1.220 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001401945696 889196156 /nfs/dbraw/zinc/19/61/56/889196156.db2.gz RNOINUXFOSTXMK-SCZZXKLOSA-N 0 3 284.360 -1.129 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001401945692 889197877 /nfs/dbraw/zinc/19/78/77/889197877.db2.gz RNOINUXFOSTXMK-PSASIEDQSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](NC1(CNC(=O)c2cnc[nH]c2=O)CC1)C(N)=O ZINC001401946976 889197790 /nfs/dbraw/zinc/19/77/90/889197790.db2.gz KYFJSARWDNJUFG-SSDOTTSWSA-N 0 3 279.300 -1.092 20 0 CAADHN COC[C@@H](O)CN1CC[C@@](C)(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001402119948 889199575 /nfs/dbraw/zinc/19/95/75/889199575.db2.gz BHQVKBWLLRDNGJ-MISXGVKJSA-N 0 3 299.371 -1.147 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)Cn1ncnn1)C(N)=O ZINC001402039590 889199832 /nfs/dbraw/zinc/19/98/32/889199832.db2.gz ADBYOSSBLYLCOG-RKDXNWHRSA-N 0 3 281.320 -1.873 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCNC(=O)CC1 ZINC001402053864 889200017 /nfs/dbraw/zinc/20/00/17/889200017.db2.gz NLFXFLGWLZHHBK-GHMZBOCLSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)Cn1ncnn1)C(N)=O ZINC001402039544 889200459 /nfs/dbraw/zinc/20/04/59/889200459.db2.gz ADBYOSSBLYLCOG-BDAKNGLRSA-N 0 3 281.320 -1.873 20 0 CAADHN CCNC(=O)CCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001402067583 889200497 /nfs/dbraw/zinc/20/04/97/889200497.db2.gz OQQWHJVDSHGGMZ-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCC[C@H]2CN[C@H](C)C(N)=O)C1 ZINC001402068819 889200642 /nfs/dbraw/zinc/20/06/42/889200642.db2.gz UXPNFSHGWBLIPR-SKDRFNHKSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@H]2CNCC(N)=O)CCC(=O)N1 ZINC001402047814 889201448 /nfs/dbraw/zinc/20/14/48/889201448.db2.gz CFXGHKJXPAJEDQ-ZANVPECISA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)NCCC(=O)N1CCC[C@H]1CN[C@@H](C)C(N)=O ZINC001402056311 889201964 /nfs/dbraw/zinc/20/19/64/889201964.db2.gz GHABFLKJTRCSOV-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN O=C(CN1CCCC1)NCCN1CCN(CCO)CC1 ZINC001402157260 889202649 /nfs/dbraw/zinc/20/26/49/889202649.db2.gz GMDNJDSHWKHUDW-UHFFFAOYSA-N 0 3 284.404 -1.192 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(C[C@H](C)O)C1 ZINC001402196086 889202802 /nfs/dbraw/zinc/20/28/02/889202802.db2.gz XIPHTOKVDYMTSZ-DTWKUNHWSA-N 0 3 294.377 -2.389 20 0 CAADHN C[C@]1(NC(=O)CN2CCOCC2)CCN(CCO)C1 ZINC001402129422 889202985 /nfs/dbraw/zinc/20/29/85/889202985.db2.gz MHGWRDZRYWIUNL-ZDUSSCGKSA-N 0 3 271.361 -1.109 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001402168322 889203234 /nfs/dbraw/zinc/20/32/34/889203234.db2.gz BRGQWEUUTQMAJH-GARJFASQSA-N 0 3 285.344 -1.537 20 0 CAADHN COCCN1CC[C@@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001402144765 889203769 /nfs/dbraw/zinc/20/37/69/889203769.db2.gz LNOPMQVHTVNZMW-CYBMUJFWSA-N 0 3 297.359 -1.191 20 0 CAADHN Cc1nccn1CC(=O)NCCN1CCN(CCO)CC1 ZINC001402157294 889204214 /nfs/dbraw/zinc/20/42/14/889204214.db2.gz GZSIPMCEHVLIDJ-UHFFFAOYSA-N 0 3 295.387 -1.082 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@]1(C)CCN(CCO)C1 ZINC001402147859 889205019 /nfs/dbraw/zinc/20/50/19/889205019.db2.gz YDQIFKDECYDGJX-LBPRGKRZSA-N 0 3 272.349 -1.122 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@]1(C)CCN(CCO)C1 ZINC001402133929 889206121 /nfs/dbraw/zinc/20/61/21/889206121.db2.gz VDZJLEDPDVMVEL-LLVKDONJSA-N 0 3 293.389 -1.501 20 0 CAADHN COCCN1CC[C@](C)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001402144772 889206414 /nfs/dbraw/zinc/20/64/14/889206414.db2.gz LNOPMQVHTVNZMW-ZDUSSCGKSA-N 0 3 297.359 -1.191 20 0 CAADHN CCN1CC[C@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001402228308 889207532 /nfs/dbraw/zinc/20/75/32/889207532.db2.gz JYUGKRBAYBKTAR-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN O=C(CCc1ccncn1)NC[C@]1(O)CCN(CCO)C1 ZINC001402260316 889208577 /nfs/dbraw/zinc/20/85/77/889208577.db2.gz APYLURUNKIOBGO-CQSZACIVSA-N 0 3 294.355 -1.046 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001402268131 889209001 /nfs/dbraw/zinc/20/90/01/889209001.db2.gz RTIJUSPAXIXKGU-JTQLQIEISA-N 0 3 270.333 -1.566 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)CNC(=O)C2CC2)C1 ZINC001402254217 889209583 /nfs/dbraw/zinc/20/95/83/889209583.db2.gz BSHQXBPXNYAZDU-AWEZNQCLSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(C[C@H]1CCC(=O)NC1)NC[C@@]1(O)CCN(CCO)C1 ZINC001402265798 889210558 /nfs/dbraw/zinc/21/05/58/889210558.db2.gz HWDXLQOQEPNLQR-RISCZKNCSA-N 0 3 299.371 -1.552 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001402268136 889213372 /nfs/dbraw/zinc/21/33/72/889213372.db2.gz RTIJUSPAXIXKGU-SNVBAGLBSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001402262508 889213663 /nfs/dbraw/zinc/21/36/63/889213663.db2.gz MPPSVLZQTGZXMH-NXEZZACHSA-N 0 3 282.344 -1.505 20 0 CAADHN Cc1nnccc1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001402286228 889214811 /nfs/dbraw/zinc/21/48/11/889214811.db2.gz KEXWCAWKFZVIOM-ZDUSSCGKSA-N 0 3 280.328 -1.056 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2cn[nH]c(=O)c2)C1 ZINC001402280657 889214877 /nfs/dbraw/zinc/21/48/77/889214877.db2.gz VWVGAFRTCQKOFC-ZDUSSCGKSA-N 0 3 296.327 -1.005 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cnc2n1CCC2 ZINC001402273052 889216608 /nfs/dbraw/zinc/21/66/08/889216608.db2.gz NQBHXONTQPBWGU-CQSZACIVSA-N 0 3 294.355 -1.012 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001402288491 889216922 /nfs/dbraw/zinc/21/69/22/889216922.db2.gz MCNOZIVWFXBLIH-ZDUSSCGKSA-N 0 3 287.360 -1.554 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NC[C@]1(O)CCN(CCO)C1 ZINC001402291789 889218748 /nfs/dbraw/zinc/21/87/48/889218748.db2.gz LZXGYVRCAGYOMG-GXFFZTMASA-N 0 3 285.344 -1.800 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cnc2n1CCC2 ZINC001402273046 889218789 /nfs/dbraw/zinc/21/87/89/889218789.db2.gz NQBHXONTQPBWGU-AWEZNQCLSA-N 0 3 294.355 -1.012 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001402304139 889221203 /nfs/dbraw/zinc/22/12/03/889221203.db2.gz WZKAMJWLHCRHRU-UHIISALHSA-N 0 3 299.371 -1.567 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC001402299045 889222323 /nfs/dbraw/zinc/22/23/23/889222323.db2.gz ACISTMPWUUSVKX-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)c1cnn(C)c1N)C1CC1)C(N)=O ZINC001402294636 889222433 /nfs/dbraw/zinc/22/24/33/889222433.db2.gz SOKKPLYSEJUOAD-XVKPBYJWSA-N 0 3 294.359 -1.026 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001402304135 889222557 /nfs/dbraw/zinc/22/25/57/889222557.db2.gz WZKAMJWLHCRHRU-SUNKGSAMSA-N 0 3 299.371 -1.567 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001402299689 889223041 /nfs/dbraw/zinc/22/30/41/889223041.db2.gz GPFDVBCYBARZGU-SCZZXKLOSA-N 0 3 283.328 -1.091 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CCn1ccnn1)C1CC1 ZINC001402294401 889223069 /nfs/dbraw/zinc/22/30/69/889223069.db2.gz SJPWMZVCIXSAAA-JTQLQIEISA-N 0 3 280.332 -1.362 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)c1cn(C)nn1)C1CC1)C(N)=O ZINC001402292548 889223123 /nfs/dbraw/zinc/22/31/23/889223123.db2.gz RTRZKDONSUTHKY-APPZFPTMSA-N 0 3 280.332 -1.213 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001402299040 889223359 /nfs/dbraw/zinc/22/33/59/889223359.db2.gz ACISTMPWUUSVKX-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001402323951 889224463 /nfs/dbraw/zinc/22/44/63/889224463.db2.gz XFKYDHRZQRORNT-GWCFXTLKSA-N 0 3 285.344 -1.536 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CCNC(=O)C1 ZINC001402313894 889224638 /nfs/dbraw/zinc/22/46/38/889224638.db2.gz HRBSRLXWPYXCOQ-YGRLFVJLSA-N 0 3 296.371 -1.128 20 0 CAADHN CN1CC[C@@H](CC(=O)NC[C@@H](NCC(N)=O)C2CC2)C1=O ZINC001402317568 889225556 /nfs/dbraw/zinc/22/55/56/889225556.db2.gz QAABNHSWTLXHBI-WDEREUQCSA-N 0 3 296.371 -1.176 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@@H]1CCC(=O)N1 ZINC001402320502 889225431 /nfs/dbraw/zinc/22/54/31/889225431.db2.gz SJVPXJUGFJHFNZ-CABZTGNLSA-N 0 3 271.317 -2.190 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)c1c[nH]c(=O)n1C)C1CC1 ZINC001402324509 889226891 /nfs/dbraw/zinc/22/68/91/889226891.db2.gz DCUBPIUVBHJHAP-VIFPVBQESA-N 0 3 295.343 -1.030 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001402317297 889227026 /nfs/dbraw/zinc/22/70/26/889227026.db2.gz KXNCJNDOLFXAGS-VXGBXAGGSA-N 0 3 298.387 -1.323 20 0 CAADHN CC(C)[C@H](C(=O)NCC1(O)CN(CCO)C1)N(C)C ZINC001402354775 889233195 /nfs/dbraw/zinc/23/31/95/889233195.db2.gz FNCSDFJTSDDEON-LLVKDONJSA-N 0 3 273.377 -1.272 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001402398558 889236490 /nfs/dbraw/zinc/23/64/90/889236490.db2.gz QIDOPXGROPSCBE-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001402434914 889236576 /nfs/dbraw/zinc/23/65/76/889236576.db2.gz HBRFNHDTNQDFID-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@H](NCCF)C1CC1 ZINC001402383982 889236628 /nfs/dbraw/zinc/23/66/28/889236628.db2.gz SWJYIMNXGVFUAZ-VIFPVBQESA-N 0 3 281.353 -1.011 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001402446979 889238025 /nfs/dbraw/zinc/23/80/25/889238025.db2.gz ZEJLXRUHPWDCOF-VIFPVBQESA-N 0 3 295.347 -1.460 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cc(OC)n(C)n2)C1 ZINC001402445614 889238306 /nfs/dbraw/zinc/23/83/06/889238306.db2.gz JLEGWLURIABFTF-VIFPVBQESA-N 0 3 295.343 -1.021 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](N[C@@H](C)C(=O)N(C)C)C1 ZINC001402444901 889238605 /nfs/dbraw/zinc/23/86/05/889238605.db2.gz ZFELNFJHVQLPOQ-GUBZILKMSA-N 0 3 299.375 -1.290 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)COC)C1 ZINC001402419198 889238923 /nfs/dbraw/zinc/23/89/23/889238923.db2.gz KMTWROKYLWGWAL-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1csnn1)C(N)=O ZINC001402479236 889239900 /nfs/dbraw/zinc/23/99/00/889239900.db2.gz MLYISYQGARTBEW-ZETCQYMHSA-N 0 3 287.345 -1.564 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(=O)N(C)C ZINC001402461906 889239845 /nfs/dbraw/zinc/23/98/45/889239845.db2.gz PLLDNCNFCZLPGF-VWYCJHECSA-N 0 3 296.371 -1.068 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1n[nH]cc1F)C(N)=O ZINC001402480687 889240183 /nfs/dbraw/zinc/24/01/83/889240183.db2.gz QAMQKNLKPHAEFV-SSDOTTSWSA-N 0 3 287.295 -1.553 20 0 CAADHN O=C(c1nc[nH]n1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001402466793 889240426 /nfs/dbraw/zinc/24/04/26/889240426.db2.gz FEXCJWOPBGGHOG-MRVPVSSYSA-N 0 3 282.304 -2.283 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cc1cncn1C)C(N)=O ZINC001402464656 889240937 /nfs/dbraw/zinc/24/09/37/889240937.db2.gz ALEWRSHZXMNQSQ-JTQLQIEISA-N 0 3 297.359 -1.753 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001402480073 889242959 /nfs/dbraw/zinc/24/29/59/889242959.db2.gz YDFZRKDGYMZLSU-VIFPVBQESA-N 0 3 296.327 -1.315 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H]1CCCCO1)C(N)=O ZINC001402470409 889243008 /nfs/dbraw/zinc/24/30/08/889243008.db2.gz UCBUPBWUIIPCHM-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)Cc1cnoc1)C(N)=O ZINC001402485219 889243344 /nfs/dbraw/zinc/24/33/44/889243344.db2.gz XYJYVSAPTKJPKL-VIFPVBQESA-N 0 3 284.316 -1.499 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N1CC[C@H](NCC(=O)NC)C1 ZINC001402451124 889243469 /nfs/dbraw/zinc/24/34/69/889243469.db2.gz HRERURMQHJOJDN-QWRGUYRKSA-N 0 3 284.360 -1.162 20 0 CAADHN Cn1ccc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)n1 ZINC001402462999 889243724 /nfs/dbraw/zinc/24/37/24/889243724.db2.gz PVKGJWJYOFBDIY-QMMMGPOBSA-N 0 3 294.315 -1.581 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)CNC(=O)NC ZINC001402528442 889244518 /nfs/dbraw/zinc/24/45/18/889244518.db2.gz OWPYOPKMJYBEGQ-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN Cn1cccc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001402548388 889248174 /nfs/dbraw/zinc/24/81/74/889248174.db2.gz NIJNFVWIYUJVTD-NSHDSACASA-N 0 3 294.355 -1.062 20 0 CAADHN Cc1cc(CC(=O)N(CCO)CCN[C@@H](C)C(N)=O)no1 ZINC001402553397 889248390 /nfs/dbraw/zinc/24/83/90/889248390.db2.gz PYXJLWJEYGTILH-JTQLQIEISA-N 0 3 298.343 -1.190 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cc(C)n[nH]1 ZINC001402560823 889249069 /nfs/dbraw/zinc/24/90/69/889249069.db2.gz SWTWIAHFGYIMQH-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cc(C)[nH]n1 ZINC001402560823 889249080 /nfs/dbraw/zinc/24/90/80/889249080.db2.gz SWTWIAHFGYIMQH-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001402586536 889249255 /nfs/dbraw/zinc/24/92/55/889249255.db2.gz DNYASSUETNWFQG-QMMMGPOBSA-N 0 3 297.315 -1.660 20 0 CAADHN COC[C@H](C)C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001402540500 889249371 /nfs/dbraw/zinc/24/93/71/889249371.db2.gz HSYYWRJKWBZQQF-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)C[C@@H](C)OC)CCO1 ZINC001402587389 889249398 /nfs/dbraw/zinc/24/93/98/889249398.db2.gz AFFNKNUHADHXBR-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cn(C)cn1)C(N)=O ZINC001402565862 889249458 /nfs/dbraw/zinc/24/94/58/889249458.db2.gz XVGTVTPDDVXXDT-JTQLQIEISA-N 0 3 297.359 -1.292 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H]1CN(C(=O)C2CC2)CCO1 ZINC001402590178 889249693 /nfs/dbraw/zinc/24/96/93/889249693.db2.gz FKCUQPSOXKSZEM-JTQLQIEISA-N 0 3 298.343 -1.331 20 0 CAADHN COCCC(=O)N(CCO)CCN[C@H]1CCCNC1=O ZINC001402556874 889250174 /nfs/dbraw/zinc/25/01/74/889250174.db2.gz QXLLCITXJUQIQT-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN CO[C@H](C)C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001402561261 889250340 /nfs/dbraw/zinc/25/03/40/889250340.db2.gz TZVPDELSHUBQOS-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN Cc1ncn(C)c1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001402582911 889250441 /nfs/dbraw/zinc/25/04/41/889250441.db2.gz AXDXCLLFDCYMRH-JTQLQIEISA-N 0 3 295.343 -1.356 20 0 CAADHN Cn1ncc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)c1N ZINC001402589021 889250582 /nfs/dbraw/zinc/25/05/82/889250582.db2.gz IKCQRXQFYZQFRC-MRVPVSSYSA-N 0 3 296.331 -2.082 20 0 CAADHN NC(=O)CNC1(CNC(=O)CCNC(N)=O)CCC1 ZINC001402569646 889250796 /nfs/dbraw/zinc/25/07/96/889250796.db2.gz DXUZCDLJEZALFL-UHFFFAOYSA-N 0 3 271.321 -1.841 20 0 CAADHN CO[C@H](C)CC(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001402557042 889250886 /nfs/dbraw/zinc/25/08/86/889250886.db2.gz RXIRNTSQHWEWTO-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN Cn1cc(CCC(=O)NCC2(NCC(N)=O)CCC2)nn1 ZINC001402591086 889251157 /nfs/dbraw/zinc/25/11/57/889251157.db2.gz KVMNBGDZQZCLDD-UHFFFAOYSA-N 0 3 294.359 -1.139 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cnn(C)n2)CCO1 ZINC001402586532 889251280 /nfs/dbraw/zinc/25/12/80/889251280.db2.gz CQUSGCAVISFFTI-VIFPVBQESA-N 0 3 296.331 -2.008 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2ncn(C)n2)CCO1 ZINC001402605984 889252126 /nfs/dbraw/zinc/25/21/26/889252126.db2.gz VSOJCEUYQPADDY-VIFPVBQESA-N 0 3 296.331 -2.008 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cn(C)nn2)CCO1)C(N)=O ZINC001402602926 889252874 /nfs/dbraw/zinc/25/28/74/889252874.db2.gz TXKDUPLMJKJHEC-RKDXNWHRSA-N 0 3 296.331 -1.881 20 0 CAADHN COCC1(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC1 ZINC001402605736 889253102 /nfs/dbraw/zinc/25/31/02/889253102.db2.gz NUURXOFNOHDHEO-JTQLQIEISA-N 0 3 285.344 -1.285 20 0 CAADHN NC(=O)CCCC(=O)NCC1(NCC(N)=O)CCC1 ZINC001402595031 889253467 /nfs/dbraw/zinc/25/34/67/889253467.db2.gz QZRKULGPIFWSOQ-UHFFFAOYSA-N 0 3 270.333 -1.244 20 0 CAADHN CC(=O)N1CCO[C@@H](CNCC(=O)N2CCOCC2)C1 ZINC001402599214 889253547 /nfs/dbraw/zinc/25/35/47/889253547.db2.gz ZNWUKDJHPZOEPG-LBPRGKRZSA-N 0 3 285.344 -1.318 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](NCC(N)=O)C1 ZINC001402645367 889253582 /nfs/dbraw/zinc/25/35/82/889253582.db2.gz PYMIQFXOWZZYJP-OCAPTIKFSA-N 0 3 277.346 -1.857 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CS(C)(=O)=O ZINC001402833096 889263098 /nfs/dbraw/zinc/26/30/98/889263098.db2.gz BZFOCMOMJIIXHM-HTQZYQBOSA-N 0 3 279.362 -1.740 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)COC)CCO1 ZINC001402598921 889253999 /nfs/dbraw/zinc/25/39/99/889253999.db2.gz JUJMKYLXYOMBBV-WDEREUQCSA-N 0 3 287.360 -1.168 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)n(C)n1 ZINC001402610791 889254148 /nfs/dbraw/zinc/25/41/48/889254148.db2.gz RDNVNVDDLMOZNL-SNVBAGLBSA-N 0 3 295.343 -1.356 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001402600211 889254314 /nfs/dbraw/zinc/25/43/14/889254314.db2.gz NPKODZQNQBJOLP-SECBINFHSA-N 0 3 296.331 -1.677 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)CCO1 ZINC001402600211 889254326 /nfs/dbraw/zinc/25/43/26/889254326.db2.gz NPKODZQNQBJOLP-SECBINFHSA-N 0 3 296.331 -1.677 20 0 CAADHN CCn1ccc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)n1 ZINC001402610097 889254558 /nfs/dbraw/zinc/25/45/58/889254558.db2.gz VYBBZBNZXBVSBS-SNVBAGLBSA-N 0 3 295.343 -1.181 20 0 CAADHN CC(=O)N1CCO[C@H](CNCC(=O)N2CCOCC2)C1 ZINC001402599203 889254730 /nfs/dbraw/zinc/25/47/30/889254730.db2.gz ZNWUKDJHPZOEPG-GFCCVEGCSA-N 0 3 285.344 -1.318 20 0 CAADHN COCC(=O)N1CCO[C@H](CN[C@@H](C)C(=O)N(C)C)C1 ZINC001402596969 889256043 /nfs/dbraw/zinc/25/60/43/889256043.db2.gz UCRUKYGYRVXFDZ-WDEREUQCSA-N 0 3 287.360 -1.074 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ccncc2)CCO1 ZINC001402611099 889256100 /nfs/dbraw/zinc/25/61/00/889256100.db2.gz VXTNJLVJBVWBDW-LLVKDONJSA-N 0 3 278.312 -1.003 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1COCCO1 ZINC001402746332 889257371 /nfs/dbraw/zinc/25/73/71/889257371.db2.gz RLJFVVFNFJVGGP-WDEREUQCSA-N 0 3 285.344 -1.142 20 0 CAADHN O=C(c1cnc[n-]c1=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001402728546 889257046 /nfs/dbraw/zinc/25/70/46/889257046.db2.gz MRTXQHTTZFGUCX-CYBMUJFWSA-N 0 3 296.327 -1.269 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1C ZINC001402774677 889257168 /nfs/dbraw/zinc/25/71/68/889257168.db2.gz SFUJNBBAHGCXQN-WCBMZHEXSA-N 0 3 293.327 -1.022 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001402774749 889257232 /nfs/dbraw/zinc/25/72/32/889257232.db2.gz ZJKMSIGBMYPYDH-GXSJLCMTSA-N 0 3 284.360 -1.353 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC001402787445 889257402 /nfs/dbraw/zinc/25/74/02/889257402.db2.gz CVMAONDQXCVYAC-LLVKDONJSA-N 0 3 299.371 -1.159 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1COCCO1 ZINC001402746322 889257888 /nfs/dbraw/zinc/25/78/88/889257888.db2.gz RLJFVVFNFJVGGP-GHMZBOCLSA-N 0 3 285.344 -1.142 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1COCCO1 ZINC001402746326 889258504 /nfs/dbraw/zinc/25/85/04/889258504.db2.gz RLJFVVFNFJVGGP-MNOVXSKESA-N 0 3 285.344 -1.142 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N(C)C)C1 ZINC001402774751 889259505 /nfs/dbraw/zinc/25/95/05/889259505.db2.gz ZJKMSIGBMYPYDH-KOLCDFICSA-N 0 3 284.360 -1.353 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cn2ncnn2)CCOCC1 ZINC001402746170 889259685 /nfs/dbraw/zinc/25/96/85/889259685.db2.gz QNWXQXFUSNFJCA-UHFFFAOYSA-N 0 3 297.319 -2.587 20 0 CAADHN C[C@H](CNC(=O)CCS(=O)(=O)N(C)C)N(C)CCO ZINC001403233468 889294212 /nfs/dbraw/zinc/29/42/12/889294212.db2.gz XYBBUHOGTLMSOR-SNVBAGLBSA-N 0 3 295.405 -1.303 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)Cn1cccn1 ZINC001402841242 889260976 /nfs/dbraw/zinc/26/09/76/889260976.db2.gz AZJPHOPBTJQINQ-SECBINFHSA-N 0 3 296.331 -1.567 20 0 CAADHN CC(=O)N1CCC(O)(CN[C@H](C)C(=O)NC(N)=O)CC1 ZINC001402797383 889261009 /nfs/dbraw/zinc/26/10/09/889261009.db2.gz RUWJQAHYJJIWRL-MRVPVSSYSA-N 0 3 286.332 -1.467 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cnnn2C)C[C@H]1C ZINC001402800705 889261068 /nfs/dbraw/zinc/26/10/68/889261068.db2.gz ZVRSTNAGOLDRFJ-BDAKNGLRSA-N 0 3 280.332 -1.389 20 0 CAADHN C[C@@H](CNC(=O)CS(C)(=O)=O)NCC(=O)N(C)C ZINC001402832548 889261434 /nfs/dbraw/zinc/26/14/34/889261434.db2.gz AVUNAPTWYUJKPM-QMMMGPOBSA-N 0 3 279.362 -1.787 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)Cn2cnnn2)n[nH]1 ZINC001402843506 889261872 /nfs/dbraw/zinc/26/18/72/889261872.db2.gz NVHYUTZSRLBACF-ZETCQYMHSA-N 0 3 279.308 -1.606 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COCCO1)NCCS(C)(=O)=O ZINC001402834400 889262323 /nfs/dbraw/zinc/26/23/23/889262323.db2.gz JWUMAPCVAZDXLG-NXEZZACHSA-N 0 3 294.373 -1.459 20 0 CAADHN C[C@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NCC(=O)N(C)C ZINC001402798307 889262550 /nfs/dbraw/zinc/26/25/50/889262550.db2.gz VTBZDTZIFPIIEJ-VHSXEESVSA-N 0 3 295.347 -1.802 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cnn(C)c1)C(=O)NC(N)=O ZINC001402841354 889262919 /nfs/dbraw/zinc/26/29/19/889262919.db2.gz BNTDGYURGVJFHJ-JGVFFNPUSA-N 0 3 296.331 -1.289 20 0 CAADHN COCCC(=O)N1CCC(O)(CN[C@H]2CCNC2=O)CC1 ZINC001402796042 889263262 /nfs/dbraw/zinc/26/32/62/889263262.db2.gz PPUUTJMPQFKGKG-NSHDSACASA-N 0 3 299.371 -1.146 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@H](C)CNC(=O)Cn1cnnn1 ZINC001402840043 889263392 /nfs/dbraw/zinc/26/33/92/889263392.db2.gz IETBSUVZLAGVNA-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NCC(=O)N(C)C ZINC001402798308 889263548 /nfs/dbraw/zinc/26/35/48/889263548.db2.gz VTBZDTZIFPIIEJ-ZJUUUORDSA-N 0 3 295.347 -1.802 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H](C)NC(C)=O ZINC001403489932 889308499 /nfs/dbraw/zinc/30/84/99/889308499.db2.gz SOOKQVYTFWNDLL-GXSJLCMTSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H](C)OC ZINC001402833411 889264556 /nfs/dbraw/zinc/26/45/56/889264556.db2.gz CWKHSDOLWDXKKR-JGVFFNPUSA-N 0 3 274.321 -1.429 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001402852010 889265248 /nfs/dbraw/zinc/26/52/48/889265248.db2.gz KOGQGBAMAUJNSZ-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H](CNC(=O)CCn1cncn1)N[C@@H]1CCN(C)C1=O ZINC001402842374 889264615 /nfs/dbraw/zinc/26/46/15/889264615.db2.gz QDXREAMDDBZFSO-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)N[C@@H]1CCN(C)C1=O ZINC001402879070 889265206 /nfs/dbraw/zinc/26/52/06/889265206.db2.gz QRZWPAWHVRZKPG-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCn1ccnn1 ZINC001402868646 889266529 /nfs/dbraw/zinc/26/65/29/889266529.db2.gz NOIJFIPRPSFTSP-VHSXEESVSA-N 0 3 282.348 -1.103 20 0 CAADHN CCO[C@@H](C)C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001402847765 889266561 /nfs/dbraw/zinc/26/65/61/889266561.db2.gz SVCCHCAYBSBEAT-SFYZADRCSA-N 0 3 274.321 -1.299 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1COC(=O)N1 ZINC001402869259 889267066 /nfs/dbraw/zinc/26/70/66/889267066.db2.gz KFVIFIOQQWMCSZ-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001402851581 889267212 /nfs/dbraw/zinc/26/72/12/889267212.db2.gz YOQVZFBMUQLOOG-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001402853400 889267360 /nfs/dbraw/zinc/26/73/60/889267360.db2.gz QANPKXQZDXTEHN-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN C[C@@H](CNC(=O)c1cnns1)NCC(=O)NC(N)=O ZINC001402847563 889267532 /nfs/dbraw/zinc/26/75/32/889267532.db2.gz SMGZTYJGNWJOPX-YFKPBYRVSA-N 0 3 286.317 -1.559 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)N1CCCC1 ZINC001402870871 889267569 /nfs/dbraw/zinc/26/75/69/889267569.db2.gz NHIUKIKVFSHWHY-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CN1CCCC1=O)C(N)=O ZINC001402848477 889267601 /nfs/dbraw/zinc/26/76/01/889267601.db2.gz VRYOIVDHRNQOBJ-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001402880550 889268067 /nfs/dbraw/zinc/26/80/67/889268067.db2.gz JIDJVXBAIXCRTG-UWVGGRQHSA-N 0 3 297.363 -1.318 20 0 CAADHN O=C(NC1(CO)CCN(CCCO)CC1)[C@H]1CCC(=O)N1 ZINC001402857991 889268444 /nfs/dbraw/zinc/26/84/44/889268444.db2.gz DRWWIXQAIZXWFT-LLVKDONJSA-N 0 3 299.371 -1.410 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCCO1)NCC(=O)NC(N)=O ZINC001402856639 889268537 /nfs/dbraw/zinc/26/85/37/889268537.db2.gz ADXJBIXTQMQLLH-DTWKUNHWSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)NC1CC1 ZINC001402874431 889268584 /nfs/dbraw/zinc/26/85/84/889268584.db2.gz TURBGZOQANPEKB-IONNQARKSA-N 0 3 284.316 -1.532 20 0 CAADHN CCO[C@H](C)C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001402847759 889268846 /nfs/dbraw/zinc/26/88/46/889268846.db2.gz SVCCHCAYBSBEAT-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCn1ccnn1 ZINC001402868657 889269120 /nfs/dbraw/zinc/26/91/20/889269120.db2.gz NOIJFIPRPSFTSP-ZJUUUORDSA-N 0 3 282.348 -1.103 20 0 CAADHN CC(=O)N1CC(C(=O)NC2(CO)CCN(CCO)CC2)C1 ZINC001402863688 889269221 /nfs/dbraw/zinc/26/92/21/889269221.db2.gz SDTFXFWFCHPWAP-UHFFFAOYSA-N 0 3 299.371 -1.600 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)N[C@H]1CCN(C)C1=O ZINC001402879069 889269600 /nfs/dbraw/zinc/26/96/00/889269600.db2.gz QRZWPAWHVRZKPG-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001402900021 889270362 /nfs/dbraw/zinc/27/03/62/889270362.db2.gz YGCRFNNOPSYPGH-YUMQZZPRSA-N 0 3 294.377 -2.154 20 0 CAADHN COCCn1cc(C(=O)NC[C@H](C)NCC(N)=O)nn1 ZINC001402886539 889270890 /nfs/dbraw/zinc/27/08/90/889270890.db2.gz MUDRDVZAKHJAGL-QMMMGPOBSA-N 0 3 284.320 -1.882 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001402896924 889270950 /nfs/dbraw/zinc/27/09/50/889270950.db2.gz SMLIIQGVGDFSDE-HTQZYQBOSA-N 0 3 271.321 -2.102 20 0 CAADHN CN(CCO)C[C@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001402933939 889271106 /nfs/dbraw/zinc/27/11/06/889271106.db2.gz VCXNUAAKRZBONQ-GRYCIOLGSA-N 0 3 299.371 -1.066 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCS(C)(=O)=O ZINC001402912355 889271170 /nfs/dbraw/zinc/27/11/70/889271170.db2.gz WFYABKAQAZQCJU-IUCAKERBSA-N 0 3 293.389 -1.350 20 0 CAADHN CN(CCO)C[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001402933965 889271528 /nfs/dbraw/zinc/27/15/28/889271528.db2.gz VCXNUAAKRZBONQ-SDDRHHMPSA-N 0 3 299.371 -1.066 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1 ZINC001402913722 889271772 /nfs/dbraw/zinc/27/17/72/889271772.db2.gz YUKSAKNSARIMPV-VIFPVBQESA-N 0 3 295.343 -1.376 20 0 CAADHN C[C@H](CNC(=O)Cc1nnn(C(C)(C)C)n1)NCC(N)=O ZINC001402890555 889272070 /nfs/dbraw/zinc/27/20/70/889272070.db2.gz HCPBJMXEOWNPAU-MRVPVSSYSA-N 0 3 297.363 -1.450 20 0 CAADHN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001402900019 889272157 /nfs/dbraw/zinc/27/21/57/889272157.db2.gz YGCRFNNOPSYPGH-SFYZADRCSA-N 0 3 294.377 -2.154 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@@H](C)NC(N)=O ZINC001402882134 889272444 /nfs/dbraw/zinc/27/24/44/889272444.db2.gz IHGOJWLNJGWOLN-HTQZYQBOSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)NCC(N)=O ZINC001402923466 889272564 /nfs/dbraw/zinc/27/25/64/889272564.db2.gz FUNWYARSXHMEET-BDAKNGLRSA-N 0 3 285.348 -1.643 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001402882766 889272942 /nfs/dbraw/zinc/27/29/42/889272942.db2.gz QPUPKODQFDTTTL-GDNZZTSVSA-N 0 3 284.356 -1.186 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccn(CCOC)n1 ZINC001402933724 889273032 /nfs/dbraw/zinc/27/30/32/889273032.db2.gz DNTHKLLEWHNRNE-JTQLQIEISA-N 0 3 297.359 -1.017 20 0 CAADHN Cc1cnc2nc(C(=O)NC[C@H](C)NCC(N)=O)nn2c1 ZINC001402914761 889273215 /nfs/dbraw/zinc/27/32/15/889273215.db2.gz SHZZDALFXPSJBW-QMMMGPOBSA-N 0 3 291.315 -1.374 20 0 CAADHN C[C@H](CNC(=O)CN1CCOCC1=O)NCC(N)=O ZINC001402900315 889273494 /nfs/dbraw/zinc/27/34/94/889273494.db2.gz BPVYNNKLWSEUFU-MRVPVSSYSA-N 0 3 272.305 -2.575 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)NCc1ccnn1C ZINC001402895340 889273544 /nfs/dbraw/zinc/27/35/44/889273544.db2.gz PZWUSRIZAMSUKO-VIFPVBQESA-N 0 3 282.348 -1.057 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)NCC(=O)NC1CC1 ZINC001402889201 889273996 /nfs/dbraw/zinc/27/39/96/889273996.db2.gz HCYOUVDYTUVRHJ-QMMMGPOBSA-N 0 3 285.348 -1.712 20 0 CAADHN COCCn1cc(C(=O)NC[C@@H](C)NCC(N)=O)nn1 ZINC001402886533 889274019 /nfs/dbraw/zinc/27/40/19/889274019.db2.gz MUDRDVZAKHJAGL-MRVPVSSYSA-N 0 3 284.320 -1.882 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)NCC(=O)NC1CC1 ZINC001402889198 889274054 /nfs/dbraw/zinc/27/40/54/889274054.db2.gz HCYOUVDYTUVRHJ-MRVPVSSYSA-N 0 3 285.348 -1.712 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCC(N)=O ZINC001402955003 889274919 /nfs/dbraw/zinc/27/49/19/889274919.db2.gz JEPMBEJWQAVRNB-QFOLPQNPSA-N 0 3 285.344 -1.383 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NC(C)(C)C ZINC001402992638 889275227 /nfs/dbraw/zinc/27/52/27/889275227.db2.gz ZNDKDRSHNUXCDD-RKDXNWHRSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)NCC(N)=O ZINC001402963608 889275351 /nfs/dbraw/zinc/27/53/51/889275351.db2.gz ALCHUWWWAKXZCQ-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@@H](C)C(=O)N(C)C ZINC001402987239 889275421 /nfs/dbraw/zinc/27/54/21/889275421.db2.gz VKMMEULYWQCQKW-BDAKNGLRSA-N 0 3 295.343 -1.046 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)NCC(=O)N1CCC1 ZINC001402980767 889275460 /nfs/dbraw/zinc/27/54/60/889275460.db2.gz AKBHXXKLBXMMNP-MRVPVSSYSA-N 0 3 281.320 -1.850 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001402975571 889275602 /nfs/dbraw/zinc/27/56/02/889275602.db2.gz GMEIBGIEGPUMSI-DTWKUNHWSA-N 0 3 285.348 -1.713 20 0 CAADHN CC(C)CNC(=O)CN[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001402991691 889275811 /nfs/dbraw/zinc/27/58/11/889275811.db2.gz NZHVRQAFJPNUQR-VIFPVBQESA-N 0 3 297.363 -1.310 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCn1cncn1 ZINC001402963466 889275849 /nfs/dbraw/zinc/27/58/49/889275849.db2.gz SHTJHVBIELZNLR-NXEZZACHSA-N 0 3 282.348 -1.103 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001402975576 889276246 /nfs/dbraw/zinc/27/62/46/889276246.db2.gz GMEIBGIEGPUMSI-IUCAKERBSA-N 0 3 285.348 -1.713 20 0 CAADHN C[C@H](CNC(=O)c1nccnc1N)NCC(=O)N(C)C ZINC001402987172 889276311 /nfs/dbraw/zinc/27/63/11/889276311.db2.gz MCJQZYNXHKNYQW-MRVPVSSYSA-N 0 3 280.332 -1.145 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NC(C)(C)C ZINC001402992626 889276381 /nfs/dbraw/zinc/27/63/81/889276381.db2.gz ZNDKDRSHNUXCDD-IUCAKERBSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)N[C@H]1CCNC1=O ZINC001402967153 889276525 /nfs/dbraw/zinc/27/65/25/889276525.db2.gz JEUOAKJYUJESIE-CBAPKCEASA-N 0 3 294.311 -1.025 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1nnn(C)c1C ZINC001402980555 889276550 /nfs/dbraw/zinc/27/65/50/889276550.db2.gz ZZNIDEAEYNDDHM-SFYZADRCSA-N 0 3 282.348 -1.034 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CNC(=O)OC ZINC001402971856 889276675 /nfs/dbraw/zinc/27/66/75/889276675.db2.gz WAAKPVGKXZLLST-YUMQZZPRSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@@H](C)C(=O)N(C)C ZINC001402987279 889276794 /nfs/dbraw/zinc/27/67/94/889276794.db2.gz VKMMEULYWQCQKW-IUCAKERBSA-N 0 3 295.343 -1.046 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)[C@H](C)NCC(=O)NC1CC1 ZINC001402945768 889276974 /nfs/dbraw/zinc/27/69/74/889276974.db2.gz ANAPJEYBLDOHRD-DTWKUNHWSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@H](C)C(=O)N(C)C ZINC001402987295 889277284 /nfs/dbraw/zinc/27/72/84/889277284.db2.gz VKMMEULYWQCQKW-RKDXNWHRSA-N 0 3 295.343 -1.046 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)NCC(N)=O ZINC001402963612 889277455 /nfs/dbraw/zinc/27/74/55/889277455.db2.gz ALCHUWWWAKXZCQ-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001403010481 889277540 /nfs/dbraw/zinc/27/75/40/889277540.db2.gz YTALPQMAKUJYOZ-BDAKNGLRSA-N 0 3 288.348 -1.941 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)[C@@H](C)NCC(=O)N1CCC1 ZINC001402982092 889277755 /nfs/dbraw/zinc/27/77/55/889277755.db2.gz GVWNYRHOVYUREF-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001403003577 889277781 /nfs/dbraw/zinc/27/77/81/889277781.db2.gz HXBJBDCAPVQBDT-SFYZADRCSA-N 0 3 283.336 -1.605 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001403003585 889277845 /nfs/dbraw/zinc/27/78/45/889277845.db2.gz HXBJBDCAPVQBDT-YUMQZZPRSA-N 0 3 283.336 -1.605 20 0 CAADHN CCN(CC)C(=O)CN[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001402975035 889278004 /nfs/dbraw/zinc/27/80/04/889278004.db2.gz FSBMRSSAZXYKBD-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)Cn1cnnn1 ZINC001402945759 889278096 /nfs/dbraw/zinc/27/80/96/889278096.db2.gz ANAPJEYBLDOHRD-BDAKNGLRSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@@H](NC(=O)c1cnnn1C)[C@H](C)NCC(=O)N(C)C ZINC001403004113 889278195 /nfs/dbraw/zinc/27/81/95/889278195.db2.gz RBFYTWIULPGQLC-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](NCC(=O)NC1CC1)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001402945791 889278359 /nfs/dbraw/zinc/27/83/59/889278359.db2.gz ANAPJEYBLDOHRD-RKDXNWHRSA-N 0 3 295.347 -1.566 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001402962538 889278382 /nfs/dbraw/zinc/27/83/82/889278382.db2.gz AVQWLDXDJOFOQL-BDAKNGLRSA-N 0 3 284.360 -1.307 20 0 CAADHN C[C@H](CNC(=O)c1cc(C(N)=O)c[nH]1)NCC(=O)N(C)C ZINC001403076526 889279103 /nfs/dbraw/zinc/27/91/03/889279103.db2.gz WBXWUEGFASQOER-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN C[C@@H](NCC(=O)N(C)C)[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001403040004 889279222 /nfs/dbraw/zinc/27/92/22/889279222.db2.gz KAUZBFSQCGHNTE-RKDXNWHRSA-N 0 3 295.343 -1.046 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001403069572 889279397 /nfs/dbraw/zinc/27/93/97/889279397.db2.gz LKHWKZZLBLWGGC-YUMQZZPRSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@H](C)NCCS(C)(=O)=O ZINC001403015152 889279559 /nfs/dbraw/zinc/27/95/59/889279559.db2.gz SXSSWCUWKOCTDT-BDAKNGLRSA-N 0 3 293.389 -1.363 20 0 CAADHN C[C@H](CNC(=O)C(C)(C)S(C)(=O)=O)N[C@H](C)C(N)=O ZINC001403058359 889279644 /nfs/dbraw/zinc/27/96/44/889279644.db2.gz YAMQYENVELNSME-HTQZYQBOSA-N 0 3 293.389 -1.222 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001403036315 889279668 /nfs/dbraw/zinc/27/96/68/889279668.db2.gz FJFWQLGSMMUQHM-JGVFFNPUSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)NCC(=O)N(C)C ZINC001403076530 889279701 /nfs/dbraw/zinc/27/97/01/889279701.db2.gz WBXWUEGFASQOER-QMMMGPOBSA-N 0 3 295.343 -1.090 20 0 CAADHN C[C@H](CNC(=O)Cn1ncn2nccc2c1=O)NCCF ZINC001403058144 889279955 /nfs/dbraw/zinc/27/99/55/889279955.db2.gz XOWWNEGWXRVDRX-SECBINFHSA-N 0 3 296.306 -1.045 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001403041966 889280224 /nfs/dbraw/zinc/28/02/24/889280224.db2.gz YLDCHVVUMVBHTQ-SFYZADRCSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@H](CNC(=O)c1nc2ncccn2n1)N[C@@H](C)C(N)=O ZINC001403084149 889280524 /nfs/dbraw/zinc/28/05/24/889280524.db2.gz NCSFEMIHMLDAHR-SFYZADRCSA-N 0 3 291.315 -1.294 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001403036295 889280546 /nfs/dbraw/zinc/28/05/46/889280546.db2.gz FJFWQLGSMMUQHM-HTQZYQBOSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)CC(N)=O)NCCS(C)(=O)=O ZINC001403015165 889280585 /nfs/dbraw/zinc/28/05/85/889280585.db2.gz SXSSWCUWKOCTDT-RKDXNWHRSA-N 0 3 293.389 -1.363 20 0 CAADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCC(=O)N1CCC1 ZINC001403020265 889281430 /nfs/dbraw/zinc/28/14/30/889281430.db2.gz RTSSQFPZZYJEDE-HZMBPMFUSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cnn(C)n1)C(=O)N(C)C ZINC001403075239 889281451 /nfs/dbraw/zinc/28/14/51/889281451.db2.gz QLUGCUXTSXTLNH-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C(C)(C)NC(C)=O ZINC001403065765 889281598 /nfs/dbraw/zinc/28/15/98/889281598.db2.gz FASCQQUUXCSART-QMMMGPOBSA-N 0 3 272.349 -1.259 20 0 CAADHN CCn1nc(C(=O)N[C@@H](C)[C@H](C)NCC(N)=O)ccc1=O ZINC001403031541 889281624 /nfs/dbraw/zinc/28/16/24/889281624.db2.gz KGFNBSKNONHRQR-IUCAKERBSA-N 0 3 295.343 -1.155 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001403069570 889281773 /nfs/dbraw/zinc/28/17/73/889281773.db2.gz LKHWKZZLBLWGGC-JGVFFNPUSA-N 0 3 295.343 -1.044 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C(C)(C)NC(C)=O ZINC001403065763 889281905 /nfs/dbraw/zinc/28/19/05/889281905.db2.gz FASCQQUUXCSART-MRVPVSSYSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)N[C@@H](C)C(=O)N(C)C ZINC001403075248 889282014 /nfs/dbraw/zinc/28/20/14/889282014.db2.gz QLUGCUXTSXTLNH-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN Cc1nn(CC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O)c(=O)n1C ZINC001403083608 889282225 /nfs/dbraw/zinc/28/22/25/889282225.db2.gz JKDYFICWVVKKLN-SFYZADRCSA-N 0 3 298.347 -2.142 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N[C@@H](C)C(=O)N(C)C ZINC001403075226 889282298 /nfs/dbraw/zinc/28/22/98/889282298.db2.gz QLUGCUXTSXTLNH-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN Cc1nn(CC(=O)NC[C@@H](C)N[C@H](C)C(N)=O)c(=O)n1C ZINC001403083578 889282553 /nfs/dbraw/zinc/28/25/53/889282553.db2.gz JKDYFICWVVKKLN-HTQZYQBOSA-N 0 3 298.347 -2.142 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CS(=O)(=O)NC ZINC001403137996 889283726 /nfs/dbraw/zinc/28/37/26/889283726.db2.gz LYPWHCALLJYHOQ-ZETCQYMHSA-N 0 3 280.350 -2.624 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)CCO ZINC001403151683 889284784 /nfs/dbraw/zinc/28/47/84/889284784.db2.gz WLHVFRUQDKUGTO-VIFPVBQESA-N 0 3 284.316 -1.622 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](C)NCC(N)=O)N1CCCC1=O ZINC001403144527 889285161 /nfs/dbraw/zinc/28/51/61/889285161.db2.gz QVEABJHTEUBXRE-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN COCCN(C)[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001403149481 889285594 /nfs/dbraw/zinc/28/55/94/889285594.db2.gz MCUAKENAERKZNK-SNVBAGLBSA-N 0 3 285.348 -1.335 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001403093230 889286002 /nfs/dbraw/zinc/28/60/02/889286002.db2.gz ZMKGVALCOGNUKR-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](C)NCC(N)=O)N1CCCC1=O ZINC001403144510 889286455 /nfs/dbraw/zinc/28/64/55/889286455.db2.gz QVEABJHTEUBXRE-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)NCC(=O)N(C)C ZINC001403102163 889286533 /nfs/dbraw/zinc/28/65/33/889286533.db2.gz QSZPMWQIRXWXPO-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NCC(=O)N(C)C ZINC001403102165 889286589 /nfs/dbraw/zinc/28/65/89/889286589.db2.gz QSZPMWQIRXWXPO-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)NCC(N)=O ZINC001403130111 889286649 /nfs/dbraw/zinc/28/66/49/889286649.db2.gz FWVZENQIXSXXDU-QMMMGPOBSA-N 0 3 272.349 -1.272 20 0 CAADHN COC[C@H](O)CN(C)[C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001403109138 889287120 /nfs/dbraw/zinc/28/71/20/889287120.db2.gz OEYYYWGFJNRDRF-LPEHRKFASA-N 0 3 290.364 -1.513 20 0 CAADHN COC[C@H](O)CN(C)[C@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001403109136 889288062 /nfs/dbraw/zinc/28/80/62/889288062.db2.gz OEYYYWGFJNRDRF-KXUCPTDWSA-N 0 3 290.364 -1.513 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCCN1C(N)=O ZINC001403093216 889288135 /nfs/dbraw/zinc/28/81/35/889288135.db2.gz ZMKGVALCOGNUKR-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N(C)CCn1cncn1 ZINC001403146354 889288461 /nfs/dbraw/zinc/28/84/61/889288461.db2.gz VDUWJWZSCGGQPS-SNVBAGLBSA-N 0 3 297.363 -1.356 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)COC)C1 ZINC001403152252 889288489 /nfs/dbraw/zinc/28/84/89/889288489.db2.gz ISZMJGPEKQZGQO-QMMMGPOBSA-N 0 3 272.305 -1.721 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2ncc[nH]2)C1)C(=O)NC(N)=O ZINC001403164456 889289271 /nfs/dbraw/zinc/28/92/71/889289271.db2.gz XBHWZCVAVRVRET-SFYZADRCSA-N 0 3 294.315 -1.203 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)CCNC(=O)NC)C1)C(N)=O ZINC001403160280 889290294 /nfs/dbraw/zinc/29/02/94/889290294.db2.gz DIQJYGVUWSUQPI-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CO[C@@H](C)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001403163550 889291010 /nfs/dbraw/zinc/29/10/10/889291010.db2.gz MUFSGIUKUQHOTM-YUMQZZPRSA-N 0 3 272.305 -1.593 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001403181395 889292076 /nfs/dbraw/zinc/29/20/76/889292076.db2.gz JZLQXNSEOVPSDY-VIFPVBQESA-N 0 3 285.348 -1.806 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001403215498 889296082 /nfs/dbraw/zinc/29/60/82/889296082.db2.gz WQQCLMJLFOUXSB-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@@H](NC(=O)[C@H](C)NC(N)=O)C1CN(CCCO)C1 ZINC001403292457 889297168 /nfs/dbraw/zinc/29/71/68/889297168.db2.gz GJUCXHLYURZVAW-BDAKNGLRSA-N 0 3 272.349 -1.138 20 0 CAADHN C[C@@H](O)CN1CC([C@@H](C)NC(=O)CCn2cnnn2)C1 ZINC001403334645 889297292 /nfs/dbraw/zinc/29/72/92/889297292.db2.gz SUDAHXUSRQIUKD-NXEZZACHSA-N 0 3 282.348 -1.120 20 0 CAADHN C[C@@H](O)CN1CC([C@H](C)NC(=O)CCn2cnnn2)C1 ZINC001403334665 889297657 /nfs/dbraw/zinc/29/76/57/889297657.db2.gz SUDAHXUSRQIUKD-ZJUUUORDSA-N 0 3 282.348 -1.120 20 0 CAADHN NC(=O)CNCC1(NC(=O)Cn2ncnn2)CCCCC1 ZINC001403267914 889298391 /nfs/dbraw/zinc/29/83/91/889298391.db2.gz FZEKZPKEMYGFIE-UHFFFAOYSA-N 0 3 295.347 -1.433 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ccncn2)CCO1 ZINC001403416313 889301390 /nfs/dbraw/zinc/30/13/90/889301390.db2.gz JZJLACOYJUVUNR-KOLCDFICSA-N 0 3 293.327 -1.219 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001403429299 889302318 /nfs/dbraw/zinc/30/23/18/889302318.db2.gz WNBIRTAGNTVUHH-WDEREUQCSA-N 0 3 295.343 -1.426 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001403410841 889302336 /nfs/dbraw/zinc/30/23/36/889302336.db2.gz FWZIQCYITODUJE-ONGXEEELSA-N 0 3 295.343 -1.276 20 0 CAADHN COCC(=O)N1CCO[C@@H]([C@@H](C)NCC(=O)N(C)C)C1 ZINC001403401575 889302420 /nfs/dbraw/zinc/30/24/20/889302420.db2.gz AILUFQHMKFGVMK-GHMZBOCLSA-N 0 3 287.360 -1.074 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001403441337 889302809 /nfs/dbraw/zinc/30/28/09/889302809.db2.gz ZEFIGPQADRIYJP-UWVGGRQHSA-N 0 3 299.327 -1.435 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnn(C)c2)CCO1 ZINC001403437480 889302861 /nfs/dbraw/zinc/30/28/61/889302861.db2.gz XQUPXQZLIKKWTE-GXSJLCMTSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)C2=COCCO2)CCO1 ZINC001403441338 889303280 /nfs/dbraw/zinc/30/32/80/889303280.db2.gz ZEFIGPQADRIYJP-VHSXEESVSA-N 0 3 299.327 -1.435 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2ccnn2C)CCO1 ZINC001403410823 889303567 /nfs/dbraw/zinc/30/35/67/889303567.db2.gz FWZIQCYITODUJE-MWLCHTKSSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1 ZINC001403437484 889303948 /nfs/dbraw/zinc/30/39/48/889303948.db2.gz XQUPXQZLIKKWTE-KOLCDFICSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnccn2)CCO1 ZINC001403434627 889304278 /nfs/dbraw/zinc/30/42/78/889304278.db2.gz UTKBYUGRZQBGHT-GXSJLCMTSA-N 0 3 293.327 -1.219 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001403498431 889307167 /nfs/dbraw/zinc/30/71/67/889307167.db2.gz MCLGEJMAQMBEOU-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C(=O)[C@H]1COC(=O)N1)[C@H](CNCC(N)=O)C1CC1 ZINC001403497930 889307199 /nfs/dbraw/zinc/30/71/99/889307199.db2.gz XREFACAWIYMEMW-RKDXNWHRSA-N 0 3 284.316 -1.593 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001403456621 889307417 /nfs/dbraw/zinc/30/74/17/889307417.db2.gz JIIMAVIDDDLKOZ-KYZUINATSA-N 0 3 280.332 -1.422 20 0 CAADHN CN(C(=O)CCNC(N)=O)[C@@H](CNCC(N)=O)C1CC1 ZINC001403503990 889308710 /nfs/dbraw/zinc/30/87/10/889308710.db2.gz ASAOKONXFVPFLY-VIFPVBQESA-N 0 3 285.348 -1.643 20 0 CAADHN CN(C(=O)[C@@H]1COC(=O)N1)[C@H](CNCC(N)=O)C1CC1 ZINC001403497922 889308074 /nfs/dbraw/zinc/30/80/74/889308074.db2.gz XREFACAWIYMEMW-DTWKUNHWSA-N 0 3 284.316 -1.593 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H]1CCN(C)C1=O ZINC001403513419 889308300 /nfs/dbraw/zinc/30/83/00/889308300.db2.gz JYLKEALTLOUFSU-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001403461486 889308776 /nfs/dbraw/zinc/30/87/76/889308776.db2.gz SHHZVFDAMGUBRY-OPRDCNLKSA-N 0 3 294.359 -1.034 20 0 CAADHN CN(C(=O)[C@H]1COC(=O)N1)[C@@H](CNCC(N)=O)C1CC1 ZINC001403497918 889308860 /nfs/dbraw/zinc/30/88/60/889308860.db2.gz XREFACAWIYMEMW-BDAKNGLRSA-N 0 3 284.316 -1.593 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001403529844 889308941 /nfs/dbraw/zinc/30/89/41/889308941.db2.gz IFFDNJIHRBIYOB-VXGBXAGGSA-N 0 3 289.376 -1.628 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001403558439 889311720 /nfs/dbraw/zinc/31/17/20/889311720.db2.gz GNRYAGHHRDZRMZ-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN C[C@@H](CC(=O)N(C)C[C@H](C)NCC(N)=O)NC(N)=O ZINC001403560805 889311745 /nfs/dbraw/zinc/31/17/45/889311745.db2.gz YNCJUZDJDFZWIQ-YUMQZZPRSA-N 0 3 273.337 -1.645 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)c1cn(C)nn1 ZINC001403549576 889311819 /nfs/dbraw/zinc/31/18/19/889311819.db2.gz BOLKAYBIYPFVBO-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)CNC(=O)NC ZINC001403558407 889312478 /nfs/dbraw/zinc/31/24/78/889312478.db2.gz GIUUESRETWVPEG-MRVPVSSYSA-N 0 3 273.337 -1.902 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1cc(=O)n(C)cn1 ZINC001403553609 889312583 /nfs/dbraw/zinc/31/25/83/889312583.db2.gz KVDAICCIYJSBFT-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)c1cn(C)nn1 ZINC001403549582 889313493 /nfs/dbraw/zinc/31/34/93/889313493.db2.gz BOLKAYBIYPFVBO-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)NCC(N)=O ZINC001403533038 889313876 /nfs/dbraw/zinc/31/38/76/889313876.db2.gz COBBEDGQNYVEKL-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@@H](N[C@@H](C)CN(C)C(=O)CNC(=O)NC)C(N)=O ZINC001403564397 889315073 /nfs/dbraw/zinc/31/50/73/889315073.db2.gz JUPRPWQYZOMBCU-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCOCC1)N[C@@H]1CCNC1=O ZINC001403540897 889315099 /nfs/dbraw/zinc/31/50/99/889315099.db2.gz LSWXDECPOBSZPB-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](CN(C)C(=O)c1nnn(C)n1)N[C@@H]1CCN(C)C1=O ZINC001403573430 889315936 /nfs/dbraw/zinc/31/59/36/889315936.db2.gz FIOHODAILZLFIM-RKDXNWHRSA-N 0 3 295.347 -1.509 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCN(C)C[C@@H](C)O ZINC001403566469 889316039 /nfs/dbraw/zinc/31/60/39/889316039.db2.gz MGICVRSMWWNSAG-SNVBAGLBSA-N 0 3 275.349 -1.480 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001403584794 889316249 /nfs/dbraw/zinc/31/62/49/889316249.db2.gz OEWNWFJDMUOZBF-HTQZYQBOSA-N 0 3 271.321 -2.068 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)NCC(N)=O ZINC001403584829 889317088 /nfs/dbraw/zinc/31/70/88/889317088.db2.gz OEWNWFJDMUOZBF-YUMQZZPRSA-N 0 3 271.321 -2.068 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccncn1)NCC(=O)NC(N)=O ZINC001403611494 889317257 /nfs/dbraw/zinc/31/72/57/889317257.db2.gz PKIOPVDZUDXBRM-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@H](CN(C)C(=O)CCn1cnnn1)N[C@H]1CCNC1=O ZINC001403603821 889317379 /nfs/dbraw/zinc/31/73/79/889317379.db2.gz CBVMUSKGHBERCH-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CN(C)C(=O)CCc1cnn(C)n1)NCC(N)=O ZINC001403584119 889317660 /nfs/dbraw/zinc/31/76/60/889317660.db2.gz BSYRCPSMUGZHHF-SECBINFHSA-N 0 3 282.348 -1.331 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001403609704 889319557 /nfs/dbraw/zinc/31/95/57/889319557.db2.gz MXZJRCDGSBGRBY-MRVPVSSYSA-N 0 3 272.349 -1.177 20 0 CAADHN CN(CCNC(=O)CN(C)C1CCC1)CC(=O)NC(N)=O ZINC001403579796 889319747 /nfs/dbraw/zinc/31/97/47/889319747.db2.gz VXRYDHWTZRBRII-UHFFFAOYSA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)NCC(N)=O ZINC001403629126 889321138 /nfs/dbraw/zinc/32/11/38/889321138.db2.gz KHWTZMUMIUQMKR-SSDOTTSWSA-N 0 3 297.315 -1.979 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cncn1)N[C@@H]1CCNC1=O ZINC001403615976 889322145 /nfs/dbraw/zinc/32/21/45/889322145.db2.gz VBZQHNIQBZULAN-NXEZZACHSA-N 0 3 280.332 -1.397 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O ZINC001403621823 889322282 /nfs/dbraw/zinc/32/22/82/889322282.db2.gz FQLBGLAERKOMSZ-HTQZYQBOSA-N 0 3 294.377 -2.154 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1cn(C)c(=O)n1C ZINC001403627309 889322892 /nfs/dbraw/zinc/32/28/92/889322892.db2.gz JYYQOCIUTOHAMJ-VIFPVBQESA-N 0 3 297.359 -1.480 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCC(=O)NC1=O)NCC(N)=O ZINC001403637339 889323686 /nfs/dbraw/zinc/32/36/86/889323686.db2.gz WTWDZJNZRMRLPL-MRVPVSSYSA-N 0 3 299.331 -2.150 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cncn1)N[C@@H]1CCNC1=O ZINC001403615987 889323792 /nfs/dbraw/zinc/32/37/92/889323792.db2.gz VBZQHNIQBZULAN-VHSXEESVSA-N 0 3 280.332 -1.397 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O ZINC001403621830 889323981 /nfs/dbraw/zinc/32/39/81/889323981.db2.gz FQLBGLAERKOMSZ-SFYZADRCSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cncn1)N[C@@H]1CCCNC1=O ZINC001403619181 889324216 /nfs/dbraw/zinc/32/42/16/889324216.db2.gz YCIVHEGLYGBPJH-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN COC[C@H](C)N(C)CCNC(=O)CN1CCNC(=O)C1 ZINC001403657718 889335221 /nfs/dbraw/zinc/33/52/21/889335221.db2.gz JTSBHPZBJMZBMG-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN Cc1nc(CC(=O)NC[C@@H](CO)NCC(=O)N(C)C)n[nH]1 ZINC001403656000 889335357 /nfs/dbraw/zinc/33/53/57/889335357.db2.gz LKKDXHOCOMRKDE-VIFPVBQESA-N 0 3 298.347 -2.189 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@]12C[C@H]1COC2 ZINC001403662119 889336048 /nfs/dbraw/zinc/33/60/48/889336048.db2.gz CXZOMIHAFVYKFA-LOWVWBTDSA-N 0 3 295.343 -1.619 20 0 CAADHN COC[C@@H](C)N(C)CCNC(=O)CN1CCNC(=O)C1 ZINC001403657716 889336639 /nfs/dbraw/zinc/33/66/39/889336639.db2.gz JTSBHPZBJMZBMG-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN Cc1nc(CC(=O)NC[C@H](CO)NCC(=O)N(C)C)n[nH]1 ZINC001403655726 889337546 /nfs/dbraw/zinc/33/75/46/889337546.db2.gz LKKDXHOCOMRKDE-SECBINFHSA-N 0 3 298.347 -2.189 20 0 CAADHN CNC(=O)CN[C@H](CO)CNC(=O)Cc1n[nH]c(C)n1 ZINC001403665491 889340132 /nfs/dbraw/zinc/34/01/32/889340132.db2.gz ULUIMRUYLKACBH-QMMMGPOBSA-N 0 3 284.320 -2.532 20 0 CAADHN CNC(=O)CN[C@@H](CO)CNC(=O)Cc1n[nH]c(C)n1 ZINC001403665480 889340352 /nfs/dbraw/zinc/34/03/52/889340352.db2.gz ULUIMRUYLKACBH-MRVPVSSYSA-N 0 3 284.320 -2.532 20 0 CAADHN O=C(NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1)c1cnc[n-]c1=O ZINC001403670576 889341349 /nfs/dbraw/zinc/34/13/49/889341349.db2.gz QYSUHTVTHIPVDF-UWVGGRQHSA-N 0 3 296.327 -1.101 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NCc1cnn(C)n1)N(C)C ZINC001403683353 889343777 /nfs/dbraw/zinc/34/37/77/889343777.db2.gz PAMAOMFXDWEHNT-VXGBXAGGSA-N 0 3 298.391 -1.278 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](CO)N[C@@H](C)C(N)=O ZINC001403686595 889346875 /nfs/dbraw/zinc/34/68/75/889346875.db2.gz OULJLNQRYGMUSX-UWVGGRQHSA-N 0 3 283.332 -1.868 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NCc1cn(C)nn1)N(C)C ZINC001403697371 889347354 /nfs/dbraw/zinc/34/73/54/889347354.db2.gz HUHMVDQJAXUDKD-RYUDHWBXSA-N 0 3 298.391 -1.278 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@H]1CNC(=O)N1 ZINC001403693140 889347459 /nfs/dbraw/zinc/34/74/59/889347459.db2.gz DRXKCUZJXHXOTI-RKDXNWHRSA-N 0 3 297.319 -2.974 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](CO)N[C@H]1CCNC1=O ZINC001403685801 889348742 /nfs/dbraw/zinc/34/87/42/889348742.db2.gz MSFFLNNVIGZJKR-MNOVXSKESA-N 0 3 295.343 -1.853 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](CO)N[C@H](C)C(N)=O ZINC001403686602 889348856 /nfs/dbraw/zinc/34/88/56/889348856.db2.gz OULJLNQRYGMUSX-ZJUUUORDSA-N 0 3 283.332 -1.868 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](CO)N[C@@H]1CCNC1=O ZINC001403685296 889349824 /nfs/dbraw/zinc/34/98/24/889349824.db2.gz MSFFLNNVIGZJKR-GHMZBOCLSA-N 0 3 295.343 -1.853 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1ccnnc1 ZINC001403705051 889350944 /nfs/dbraw/zinc/35/09/44/889350944.db2.gz FAQGTZGUFLEIJT-LLVKDONJSA-N 0 3 291.315 -1.551 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001403707847 889354269 /nfs/dbraw/zinc/35/42/69/889354269.db2.gz UCZLZEJRKREIAJ-AXFHLTTASA-N 0 3 284.360 -1.266 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NCC(=O)NC)N(C)C ZINC001403714550 889355386 /nfs/dbraw/zinc/35/53/86/889355386.db2.gz CJLNDYNIHSHTRW-VHSXEESVSA-N 0 3 274.365 -1.861 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NCC(=O)NC)N(C)C ZINC001403714497 889356282 /nfs/dbraw/zinc/35/62/82/889356282.db2.gz CJLNDYNIHSHTRW-NXEZZACHSA-N 0 3 274.365 -1.861 20 0 CAADHN Cc1ncc(CN[C@H](CO)CNC(=O)c2nnc[nH]2)cn1 ZINC001403710783 889357877 /nfs/dbraw/zinc/35/78/77/889357877.db2.gz SCLLDEISVBQOBB-JTQLQIEISA-N 0 3 291.315 -1.216 20 0 CAADHN Cc1ncc(CN[C@H](CO)CNC(=O)c2ncn[nH]2)cn1 ZINC001403710783 889357887 /nfs/dbraw/zinc/35/78/87/889357887.db2.gz SCLLDEISVBQOBB-JTQLQIEISA-N 0 3 291.315 -1.216 20 0 CAADHN O=C(Cn1cncn1)NC[C@@H](CO)NCCn1cncn1 ZINC001403726036 889359729 /nfs/dbraw/zinc/35/97/29/889359729.db2.gz NGDJQVNFTSMTGZ-JTQLQIEISA-N 0 3 294.319 -2.364 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001403740129 889359756 /nfs/dbraw/zinc/35/97/56/889359756.db2.gz FXJAYUZREAYDQO-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CCNC(=O)CCC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001403743970 889359774 /nfs/dbraw/zinc/35/97/74/889359774.db2.gz GVDKRVYIKYSXIQ-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](N[C@@H](CO)CNC(=O)CN1CCCC1)C(N)=O ZINC001403734145 889359864 /nfs/dbraw/zinc/35/98/64/889359864.db2.gz DDPDVBNQQNDSCL-VHSXEESVSA-N 0 3 272.349 -1.977 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C ZINC001403740287 889359931 /nfs/dbraw/zinc/35/99/31/889359931.db2.gz GPQNFEYYQSRELU-JGVFFNPUSA-N 0 3 281.320 -1.851 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001403733880 889359982 /nfs/dbraw/zinc/35/99/82/889359982.db2.gz GCJQXHBWBANBPP-BDAKNGLRSA-N 0 3 293.327 -1.292 20 0 CAADHN CCNC(=O)CCC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001403743967 889360453 /nfs/dbraw/zinc/36/04/53/889360453.db2.gz GVDKRVYIKYSXIQ-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)Cn2ncnn2)C1 ZINC001403740120 889361006 /nfs/dbraw/zinc/36/10/06/889361006.db2.gz FXJAYUZREAYDQO-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001403739222 889361181 /nfs/dbraw/zinc/36/11/81/889361181.db2.gz JTAPKIJMFUNTGR-WPRPVWTQSA-N 0 3 270.333 -1.471 20 0 CAADHN CC(C)(C)S(=O)(=O)CC(=O)NC[C@H](CO)NCCO ZINC001403730277 889361557 /nfs/dbraw/zinc/36/15/57/889361557.db2.gz PCBVCFMCYWKSDC-SECBINFHSA-N 0 3 296.389 -1.741 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2nnn(C)n2)[C@@H]1C ZINC001403740293 889361834 /nfs/dbraw/zinc/36/18/34/889361834.db2.gz GPQNFEYYQSRELU-SFYZADRCSA-N 0 3 281.320 -1.851 20 0 CAADHN O=C(CN[C@@H](CO)CNC(=O)CN1CCCC1)NC1CC1 ZINC001403738348 889362215 /nfs/dbraw/zinc/36/22/15/889362215.db2.gz GRZVMBRRQPLUJY-GFCCVEGCSA-N 0 3 298.387 -1.573 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](N[C@@H]2CCNC2=O)C(C)(C)C1 ZINC001403795246 889364126 /nfs/dbraw/zinc/36/41/26/889364126.db2.gz UPVNHWZMNXNEHV-MNOVXSKESA-N 0 3 296.371 -1.162 20 0 CAADHN COCCN(C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001403782749 889364818 /nfs/dbraw/zinc/36/48/18/889364818.db2.gz CAWBFDVRTFYPRL-UHFFFAOYSA-N 0 3 284.320 -1.929 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)N(C)C)[C@@H]1C ZINC001403756850 889364682 /nfs/dbraw/zinc/36/46/82/889364682.db2.gz UOTOTOWRHATACG-ONGXEEELSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H]1C[C@@H](NCC(=O)NC(N)=O)CN1C(=O)c1ncc[nH]1 ZINC001403754389 889364774 /nfs/dbraw/zinc/36/47/74/889364774.db2.gz NLXSVDMSYNHWNN-JGVFFNPUSA-N 0 3 294.315 -1.203 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](N[C@H]2CCNC2=O)C(C)(C)C1 ZINC001403795268 889364855 /nfs/dbraw/zinc/36/48/55/889364855.db2.gz UPVNHWZMNXNEHV-WDEREUQCSA-N 0 3 296.371 -1.162 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)Cn2cnnn2)C1 ZINC001403748864 889365640 /nfs/dbraw/zinc/36/56/40/889365640.db2.gz PRHRWPFRZVMVOP-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H]1C[C@@H](NCC(=O)NC(N)=O)CN1C(=O)c1ncc[nH]1 ZINC001403754236 889366170 /nfs/dbraw/zinc/36/61/70/889366170.db2.gz NLXSVDMSYNHWNN-HTQZYQBOSA-N 0 3 294.315 -1.203 20 0 CAADHN C[C@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)c1cn[nH]c1 ZINC001403753987 889366397 /nfs/dbraw/zinc/36/63/97/889366397.db2.gz OBILWYMGQXJGLU-IONNQARKSA-N 0 3 294.315 -1.203 20 0 CAADHN C[C@@H](C(=O)NC(N)=O)N(C)CCNC(=O)CN1CCCC1 ZINC001403767581 889366547 /nfs/dbraw/zinc/36/65/47/889366547.db2.gz RLGWRJWBGMSKKO-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@@H]1C[C@H](NCC(=O)NC(N)=O)CN1C(=O)c1ncc[nH]1 ZINC001403754402 889366606 /nfs/dbraw/zinc/36/66/06/889366606.db2.gz NLXSVDMSYNHWNN-SFYZADRCSA-N 0 3 294.315 -1.203 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N(C)C)[C@H]1C ZINC001403756846 889366697 /nfs/dbraw/zinc/36/66/97/889366697.db2.gz UOTOTOWRHATACG-MWLCHTKSSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCCC(N)=O ZINC001403760245 889366850 /nfs/dbraw/zinc/36/68/50/889366850.db2.gz VBBODJRMVHJRMX-DTWKUNHWSA-N 0 3 270.333 -1.294 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN(C)C[C@H](C)OC ZINC001403773351 889367390 /nfs/dbraw/zinc/36/73/90/889367390.db2.gz KCSMGGDFCQEASK-VIFPVBQESA-N 0 3 281.378 -1.382 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)nn2)[C@@H]1C ZINC001403759775 889367681 /nfs/dbraw/zinc/36/76/81/889367681.db2.gz ZTJPEHFYJHAUET-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN COCCC(=O)N(C)C[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001403832579 889369339 /nfs/dbraw/zinc/36/93/39/889369339.db2.gz RONPXKJRGKGGBE-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C)[nH]n1 ZINC001403823144 889369847 /nfs/dbraw/zinc/36/98/47/889369847.db2.gz HQHBMGCWYVPEHR-JTQLQIEISA-N 0 3 297.359 -1.171 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)CCn1ccnn1)C(N)=O ZINC001403813471 889369902 /nfs/dbraw/zinc/36/99/02/889369902.db2.gz AVEIIFNVQPBGIC-UWVGGRQHSA-N 0 3 298.347 -2.049 20 0 CAADHN CC[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001403811319 889369958 /nfs/dbraw/zinc/36/99/58/889369958.db2.gz IICLKTCNEGENRQ-BDAKNGLRSA-N 0 3 288.348 -1.364 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C1CCOCC1 ZINC001403832613 889370066 /nfs/dbraw/zinc/37/00/66/889370066.db2.gz RPKYJAXOKWCFEP-NWDGAFQWSA-N 0 3 299.371 -1.290 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1ccon1 ZINC001403821329 889370134 /nfs/dbraw/zinc/37/01/34/889370134.db2.gz FGJYSKPBGHNOHE-VIFPVBQESA-N 0 3 284.316 -1.215 20 0 CAADHN Cc1ocnc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001403825500 889370393 /nfs/dbraw/zinc/37/03/93/889370393.db2.gz GXWIZBMYTFCKAJ-QMMMGPOBSA-N 0 3 270.289 -1.509 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)Cc1ccon1 ZINC001403830129 889371020 /nfs/dbraw/zinc/37/10/20/889371020.db2.gz PAXMJDGAWAYGAD-QWRGUYRKSA-N 0 3 296.327 -1.486 20 0 CAADHN Cc1nc(C(=O)N(C)C[C@@H](O)CN[C@H]2CCNC2=O)co1 ZINC001403819419 889371753 /nfs/dbraw/zinc/37/17/53/889371753.db2.gz GKSHMSBNFJQTAY-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)c1ccco1 ZINC001403822193 889371956 /nfs/dbraw/zinc/37/19/56/889371956.db2.gz CXKBHEPLWRUWSC-MRVPVSSYSA-N 0 3 298.299 -1.503 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccncc1)C(N)=O ZINC001403837551 889373412 /nfs/dbraw/zinc/37/34/12/889373412.db2.gz YPQAIFBDOXMULJ-MWLCHTKSSA-N 0 3 280.328 -1.022 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1ccnn1C)C(N)=O ZINC001403841446 889373735 /nfs/dbraw/zinc/37/37/35/889373735.db2.gz ZRLRFSRJRURGGA-VHSXEESVSA-N 0 3 297.359 -1.294 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)[nH]1 ZINC001403841109 889373819 /nfs/dbraw/zinc/37/38/19/889373819.db2.gz KKKSRQVOXZGNJQ-CBAPKCEASA-N 0 3 298.347 -2.062 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cn(C)nn1 ZINC001403836247 889373985 /nfs/dbraw/zinc/37/39/85/889373985.db2.gz DQRGWZJZRSFKCE-ZETCQYMHSA-N 0 3 270.293 -2.677 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001403847708 889374148 /nfs/dbraw/zinc/37/41/48/889374148.db2.gz UGOXDJLTASZXIA-IUCAKERBSA-N 0 3 283.332 -1.386 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1c[nH]cn1 ZINC001403841672 889374405 /nfs/dbraw/zinc/37/44/05/889374405.db2.gz GPHWNACPCXLFJI-SNVBAGLBSA-N 0 3 283.332 -1.764 20 0 CAADHN COc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)ncn1 ZINC001403845806 889374779 /nfs/dbraw/zinc/37/47/79/889374779.db2.gz RRGKFQQQFVLAPQ-MRVPVSSYSA-N 0 3 297.315 -2.007 20 0 CAADHN CCn1ncc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n1 ZINC001403845044 889374839 /nfs/dbraw/zinc/37/48/39/889374839.db2.gz QTRDZIAPDPGUAT-MRVPVSSYSA-N 0 3 284.320 -2.194 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)[C@H]1CCCO1 ZINC001403839377 889374985 /nfs/dbraw/zinc/37/49/85/889374985.db2.gz YWDVJUGRJNGAOU-VXGBXAGGSA-N 0 3 299.371 -1.147 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNCC(=O)NC(C)C ZINC001403842514 889375230 /nfs/dbraw/zinc/37/52/30/889375230.db2.gz UIGJWXMQHJSVMU-JTQLQIEISA-N 0 3 275.349 -1.434 20 0 CAADHN CCC(=O)N(C)C[C@H](O)CNCC(=O)N1CCOCC1 ZINC001403840567 889375276 /nfs/dbraw/zinc/37/52/76/889375276.db2.gz QVSYSOQHNCZLNW-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cn(C)cn1)C(N)=O ZINC001403839764 889375514 /nfs/dbraw/zinc/37/55/14/889375514.db2.gz LQAJEODWACXUJF-RKDXNWHRSA-N 0 3 283.332 -1.684 20 0 CAADHN Cc1cncn1CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001403847261 889375586 /nfs/dbraw/zinc/37/55/86/889375586.db2.gz JBZKGKHUPCUKAT-JTQLQIEISA-N 0 3 283.332 -1.914 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cn(C)nn1 ZINC001403836200 889375963 /nfs/dbraw/zinc/37/59/63/889375963.db2.gz DQRGWZJZRSFKCE-SSDOTTSWSA-N 0 3 270.293 -2.677 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001403835813 889375627 /nfs/dbraw/zinc/37/56/27/889375627.db2.gz VPIJFWHTUDHGOP-MWLCHTKSSA-N 0 3 297.359 -1.201 20 0 CAADHN Cc1cnccc1CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001403841372 889375657 /nfs/dbraw/zinc/37/56/57/889375657.db2.gz LEEKNOCZADADIS-LBPRGKRZSA-N 0 3 294.355 -1.173 20 0 CAADHN CCN(CCNC(=O)[C@@H]1COC(=O)N1)CCn1cncn1 ZINC001403846414 889375904 /nfs/dbraw/zinc/37/59/04/889375904.db2.gz FXYNCBOUMOFYAM-JTQLQIEISA-N 0 3 296.331 -1.175 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)[nH]1 ZINC001403841102 889376184 /nfs/dbraw/zinc/37/61/84/889376184.db2.gz KKKSRQVOXZGNJQ-APPZFPTMSA-N 0 3 298.347 -2.062 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cn(C)cn1 ZINC001403839731 889376289 /nfs/dbraw/zinc/37/62/89/889376289.db2.gz LMRCNMWYBJDAEB-ZJUUUORDSA-N 0 3 295.343 -1.669 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1c[nH]cn1 ZINC001403841670 889376607 /nfs/dbraw/zinc/37/66/07/889376607.db2.gz GPHWNACPCXLFJI-JTQLQIEISA-N 0 3 283.332 -1.764 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC1CC1)C(=O)[C@@H]1CCCO1 ZINC001403839370 889376780 /nfs/dbraw/zinc/37/67/80/889376780.db2.gz YWDVJUGRJNGAOU-RYUDHWBXSA-N 0 3 299.371 -1.147 20 0 CAADHN CCN(CCNC(=O)[C@H]1COC(=O)N1)CCn1cncn1 ZINC001403846419 889376843 /nfs/dbraw/zinc/37/68/43/889376843.db2.gz FXYNCBOUMOFYAM-SNVBAGLBSA-N 0 3 296.331 -1.175 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1cocn1 ZINC001403841274 889376881 /nfs/dbraw/zinc/37/68/81/889376881.db2.gz ZKAHQLYWLJUKRR-UWVGGRQHSA-N 0 3 296.327 -1.072 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1n[nH]cc1F ZINC001403862623 889378327 /nfs/dbraw/zinc/37/83/27/889378327.db2.gz BTPYTYJUNCQKSA-SSDOTTSWSA-N 0 3 287.295 -1.683 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1csnn1)C(N)=O ZINC001403859330 889378653 /nfs/dbraw/zinc/37/86/53/889378653.db2.gz MWJDLOPOEFLJOV-NKWVEPMBSA-N 0 3 287.345 -1.566 20 0 CAADHN CN(C[C@H](O)CNCc1cncn1C)C(=O)c1cn[nH]n1 ZINC001403854663 889379239 /nfs/dbraw/zinc/37/92/39/889379239.db2.gz OJTQRHURSWYLDJ-SNVBAGLBSA-N 0 3 293.331 -1.239 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnco1)C(N)=O ZINC001403861508 889379345 /nfs/dbraw/zinc/37/93/45/889379345.db2.gz QSQSDFAPCYCVAV-RKDXNWHRSA-N 0 3 284.316 -1.039 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001403851281 889379961 /nfs/dbraw/zinc/37/99/61/889379961.db2.gz WNCQSGFLJYXFOW-QMMMGPOBSA-N 0 3 289.336 -2.800 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001403872208 889380426 /nfs/dbraw/zinc/38/04/26/889380426.db2.gz XOYVSMZUQOYDMU-PRJMDXOYSA-N 0 3 272.305 -2.998 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1nocc1C ZINC001403866401 889380459 /nfs/dbraw/zinc/38/04/59/889380459.db2.gz DTXGNJZPZPPPPL-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN CCCc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)[nH]n1 ZINC001403860802 889380793 /nfs/dbraw/zinc/38/07/93/889380793.db2.gz PJERVOVFZMOSTE-JTQLQIEISA-N 0 3 297.359 -1.130 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001403866928 889381220 /nfs/dbraw/zinc/38/12/20/889381220.db2.gz HKWQXSCQUHUJKL-SECBINFHSA-N 0 3 298.347 -2.074 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnon1 ZINC001403866422 889381335 /nfs/dbraw/zinc/38/13/35/889381335.db2.gz JBHKTVNFJKSIAX-ZETCQYMHSA-N 0 3 271.277 -2.162 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1cn[nH]c1 ZINC001403885884 889383018 /nfs/dbraw/zinc/38/30/18/889383018.db2.gz ZPOMJUCNXKPITJ-SNVBAGLBSA-N 0 3 283.332 -1.764 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)C[C@@H]1CCNC1=O ZINC001403892157 889383193 /nfs/dbraw/zinc/38/31/93/889383193.db2.gz ILFGYJBFGMZTAL-QWRGUYRKSA-N 0 3 287.360 -1.744 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001403898196 889383533 /nfs/dbraw/zinc/38/35/33/889383533.db2.gz GAMXNUGMFUFZJE-UWVGGRQHSA-N 0 3 273.333 -1.992 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001403876543 889383792 /nfs/dbraw/zinc/38/37/92/889383792.db2.gz ZDHGCFXGUYIDID-HTQZYQBOSA-N 0 3 299.331 -1.978 20 0 CAADHN CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)c1cnc[n-]c1=O ZINC001403899949 889383907 /nfs/dbraw/zinc/38/39/07/889383907.db2.gz GFOAPBOBJSCYRU-VIFPVBQESA-N 0 3 284.316 -1.461 20 0 CAADHN CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)c1cnc[n-]c1=O ZINC001403899949 889383922 /nfs/dbraw/zinc/38/39/22/889383922.db2.gz GFOAPBOBJSCYRU-VIFPVBQESA-N 0 3 284.316 -1.461 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cn1cncn1 ZINC001403878656 889383951 /nfs/dbraw/zinc/38/39/51/889383951.db2.gz WDKYFCBCWLJQHA-QMMMGPOBSA-N 0 3 270.293 -2.828 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001403876557 889385070 /nfs/dbraw/zinc/38/50/70/889385070.db2.gz ZDHGCFXGUYIDID-SFYZADRCSA-N 0 3 299.331 -1.978 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)Cc1cnc[nH]1 ZINC001403884135 889385639 /nfs/dbraw/zinc/38/56/39/889385639.db2.gz VWOGEBJFABEZSM-QWRGUYRKSA-N 0 3 295.343 -1.750 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ccncn1)C(N)=O ZINC001403877225 889385471 /nfs/dbraw/zinc/38/54/71/889385471.db2.gz SUEURXRMQQJZHV-DTWKUNHWSA-N 0 3 281.316 -1.627 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C)n1 ZINC001403878369 889386302 /nfs/dbraw/zinc/38/63/02/889386302.db2.gz RFHZQDRLPOGXCT-JTQLQIEISA-N 0 3 297.359 -1.171 20 0 CAADHN CCN(C)C(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001403880817 889386463 /nfs/dbraw/zinc/38/64/63/889386463.db2.gz XGWANEOJDJSPJB-SECBINFHSA-N 0 3 298.347 -1.695 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1nc[nH]n1 ZINC001403880817 889386475 /nfs/dbraw/zinc/38/64/75/889386475.db2.gz XGWANEOJDJSPJB-SECBINFHSA-N 0 3 298.347 -1.695 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)C[C@H]1CCNC1=O ZINC001403892138 889387186 /nfs/dbraw/zinc/38/71/86/889387186.db2.gz ILFGYJBFGMZTAL-GHMZBOCLSA-N 0 3 287.360 -1.744 20 0 CAADHN COc1cc(C(=O)N(C)C[C@@H](O)CN(C)CCO)ncn1 ZINC001403908084 889390391 /nfs/dbraw/zinc/39/03/91/889390391.db2.gz YGLQDTKGOIDEHR-JTQLQIEISA-N 0 3 298.343 -1.158 20 0 CAADHN CN(CC(=O)NC[C@@H]1CCCN1CCO)S(C)(=O)=O ZINC001403988023 889390831 /nfs/dbraw/zinc/39/08/31/889390831.db2.gz OLKFFKYVAYSTLE-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CNC(C)=O)C(C)(C)C ZINC001403938973 889391068 /nfs/dbraw/zinc/39/10/68/889391068.db2.gz LZYFUWAPWFBBRJ-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN CCN(CCNC(=O)[C@@H]1CCS(=O)(=O)N1)CCOC ZINC001403952914 889391892 /nfs/dbraw/zinc/39/18/92/889391892.db2.gz AIEKOMSRLYSSOB-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001403906153 889393256 /nfs/dbraw/zinc/39/32/56/889393256.db2.gz LLCKPVWOLAHSSB-GHMZBOCLSA-N 0 3 287.360 -1.602 20 0 CAADHN COC[C@H](O)CN1CCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001404024913 889395157 /nfs/dbraw/zinc/39/51/57/889395157.db2.gz OUHVFQKGGCSPHE-TUAOUCFPSA-N 0 3 299.371 -1.147 20 0 CAADHN COC[C@@H](O)CN1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001403992020 889395477 /nfs/dbraw/zinc/39/54/77/889395477.db2.gz WFOJQPGMEJCVTK-QWRGUYRKSA-N 0 3 298.347 -1.739 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC[C@H]1CCCN1CCO ZINC001404008433 889396500 /nfs/dbraw/zinc/39/65/00/889396500.db2.gz WHWSRQUTPAFARD-LLVKDONJSA-N 0 3 284.360 -2.009 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001404024915 889397334 /nfs/dbraw/zinc/39/73/34/889397334.db2.gz OUHVFQKGGCSPHE-UTUOFQBUSA-N 0 3 299.371 -1.147 20 0 CAADHN NC(=O)CN1CC[C@@H](CNC(=O)CCN2CCOCC2)C1 ZINC001404188947 889399936 /nfs/dbraw/zinc/39/99/36/889399936.db2.gz GRPINWAAAGQWAG-LBPRGKRZSA-N 0 3 298.387 -1.368 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001404299288 889400034 /nfs/dbraw/zinc/40/00/34/889400034.db2.gz LPLDBTOATJPOAW-SSDOTTSWSA-N 0 3 287.320 -2.246 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1COCCO1 ZINC001404298358 889400253 /nfs/dbraw/zinc/40/02/53/889400253.db2.gz MLZZATBEIATWSX-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001404300121 889400322 /nfs/dbraw/zinc/40/03/22/889400322.db2.gz NQSJYLIQJWONEV-QMMMGPOBSA-N 0 3 279.362 -1.657 20 0 CAADHN CN(CC(=O)NCCN(CCO)C1CC1)S(C)(=O)=O ZINC001404229794 889400391 /nfs/dbraw/zinc/40/03/91/889400391.db2.gz WJCJRATUOGEHCC-UHFFFAOYSA-N 0 3 293.389 -1.549 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1COCCO1 ZINC001404298363 889400786 /nfs/dbraw/zinc/40/07/86/889400786.db2.gz MLZZATBEIATWSX-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001404333526 889403126 /nfs/dbraw/zinc/40/31/26/889403126.db2.gz YNDUYAPJSGXHIO-RKDXNWHRSA-N 0 3 283.332 -2.054 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)c1ncc[nH]1 ZINC001404322535 889403036 /nfs/dbraw/zinc/40/30/36/889403036.db2.gz NHJXYYJAZVUXEL-MRVPVSSYSA-N 0 3 296.331 -1.085 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCN[C@@H]1CCCN(C)C1=O ZINC001404312472 889403081 /nfs/dbraw/zinc/40/30/81/889403081.db2.gz FRCJHPOJKCDGGF-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001404335252 889403742 /nfs/dbraw/zinc/40/37/42/889403742.db2.gz ZXILYICUVUZKNH-MRVPVSSYSA-N 0 3 271.321 -2.148 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1ccccc1=O)C(N)=O ZINC001404348978 889404089 /nfs/dbraw/zinc/40/40/89/889404089.db2.gz YJQDJGCAEYYZTC-SNVBAGLBSA-N 0 3 280.328 -1.230 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCCC(=O)N1 ZINC001404328093 889404141 /nfs/dbraw/zinc/40/41/41/889404141.db2.gz TUOKVVRCRHZGFJ-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1)C(=O)N(C)C ZINC001404312997 889404274 /nfs/dbraw/zinc/40/42/74/889404274.db2.gz FHOXVURPOVVBEK-VHSXEESVSA-N 0 3 299.375 -1.465 20 0 CAADHN COCC(=O)N(C)CC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001404320892 889404390 /nfs/dbraw/zinc/40/43/90/889404390.db2.gz KSZVUJSJTNKRMN-VIFPVBQESA-N 0 3 288.348 -1.987 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)Cn1cncn1 ZINC001404337105 889404455 /nfs/dbraw/zinc/40/44/55/889404455.db2.gz GGVQRQJKPSCYJG-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001404317193 889404513 /nfs/dbraw/zinc/40/45/13/889404513.db2.gz HPMCYXDERGXXBT-VIFPVBQESA-N 0 3 285.348 -1.806 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CCc1cnn(C)n1 ZINC001404318381 889404662 /nfs/dbraw/zinc/40/46/62/889404662.db2.gz JBLCQASWQQREHJ-JTQLQIEISA-N 0 3 296.375 -1.070 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001404331975 889404955 /nfs/dbraw/zinc/40/49/55/889404955.db2.gz UFQKMWPPNVAOFT-QMMMGPOBSA-N 0 3 279.300 -1.680 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001404315379 889405076 /nfs/dbraw/zinc/40/50/76/889405076.db2.gz GQYOMXNSDCDKSQ-SECBINFHSA-N 0 3 293.327 -1.338 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001404333520 889405092 /nfs/dbraw/zinc/40/50/92/889405092.db2.gz YNDUYAPJSGXHIO-DTWKUNHWSA-N 0 3 283.332 -2.054 20 0 CAADHN CC[C@H](NCCN(C)C(=O)C[C@H]1CCNC1=O)C(N)=O ZINC001404306512 889405176 /nfs/dbraw/zinc/40/51/76/889405176.db2.gz FIIGLSVLTFHZOJ-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CCNC(N)=O ZINC001404336941 889405236 /nfs/dbraw/zinc/40/52/36/889405236.db2.gz FIDFQJHOYKOEDL-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CCc1cnn(C)n1 ZINC001404318390 889405247 /nfs/dbraw/zinc/40/52/47/889405247.db2.gz JBLCQASWQQREHJ-SNVBAGLBSA-N 0 3 296.375 -1.070 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCOC1)C(=O)NC(N)=O ZINC001404320413 889405453 /nfs/dbraw/zinc/40/54/53/889405453.db2.gz JTQVBACPHBBZIC-IUCAKERBSA-N 0 3 286.332 -1.346 20 0 CAADHN COCC(=O)N(C)CC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001404320890 889405470 /nfs/dbraw/zinc/40/54/70/889405470.db2.gz KSZVUJSJTNKRMN-SECBINFHSA-N 0 3 288.348 -1.987 20 0 CAADHN COCCn1cc(C(=O)N(C)CCN[C@H](C)C(N)=O)nn1 ZINC001404333838 889405572 /nfs/dbraw/zinc/40/55/72/889405572.db2.gz WWWDDVJTEASUPC-SECBINFHSA-N 0 3 298.347 -1.540 20 0 CAADHN C[C@@H](NCCN(C)C(=O)COCc1nncn1C)C(N)=O ZINC001404338226 889405667 /nfs/dbraw/zinc/40/56/67/889405667.db2.gz VEUQILZKWVBLND-SECBINFHSA-N 0 3 298.347 -1.747 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](CN(C)[C@H](C)C(N)=O)C1 ZINC001404567797 889408176 /nfs/dbraw/zinc/40/81/76/889408176.db2.gz KAMBINAIRFSDBB-KOLCDFICSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](CN(C)[C@@H](C)C(N)=O)C1 ZINC001404567813 889409053 /nfs/dbraw/zinc/40/90/53/889409053.db2.gz KAMBINAIRFSDBB-ONGXEEELSA-N 0 3 284.360 -1.223 20 0 CAADHN CO[C@@H](C)CN1CC(CNC(=O)CN2CCNC(=O)C2)C1 ZINC001404896795 889421215 /nfs/dbraw/zinc/42/12/15/889421215.db2.gz BUDOTJCTGCSXKF-NSHDSACASA-N 0 3 298.387 -1.499 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001404886228 889421564 /nfs/dbraw/zinc/42/15/64/889421564.db2.gz ITFGFXUKJOFMMM-NEPJUHHUSA-N 0 3 299.371 -1.432 20 0 CAADHN CNS(=O)(=O)CC(=O)NCC1CN(C[C@@H](C)O)C1 ZINC001404928132 889421765 /nfs/dbraw/zinc/42/17/65/889421765.db2.gz ASRMCZHWPXCCQA-MRVPVSSYSA-N 0 3 279.362 -2.036 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001404886236 889421898 /nfs/dbraw/zinc/42/18/98/889421898.db2.gz ITFGFXUKJOFMMM-RYUDHWBXSA-N 0 3 299.371 -1.432 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H](C)NC(C)=O)C1 ZINC001404984703 889424030 /nfs/dbraw/zinc/42/40/30/889424030.db2.gz DJQCLKACWIEAFD-DLOVCJGASA-N 0 3 287.360 -1.291 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001405017789 889424504 /nfs/dbraw/zinc/42/45/04/889424504.db2.gz LMUCCNHLXRRHIG-SRVKXCTJSA-N 0 3 299.371 -1.290 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H]1CCN(C[C@@H](C)O)C1 ZINC001405052339 889424739 /nfs/dbraw/zinc/42/47/39/889424739.db2.gz MJTTVBHATCDIST-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN O=C(CNC(=O)c1ccccn1)N[C@@H]1CCN(CCO)C1 ZINC001405085592 889425126 /nfs/dbraw/zinc/42/51/26/889425126.db2.gz ZWDAKJSDWJVQNN-LLVKDONJSA-N 0 3 292.339 -1.006 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001405049969 889426219 /nfs/dbraw/zinc/42/62/19/889426219.db2.gz CMFXQKUTEDNHGQ-UTUOFQBUSA-N 0 3 299.371 -1.290 20 0 CAADHN NC(=O)NC(=O)CN1CC[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001405031432 889426347 /nfs/dbraw/zinc/42/63/47/889426347.db2.gz SYDGCSNYTFTRLN-QMMMGPOBSA-N 0 3 294.315 -1.662 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](N(C)C(=O)[C@H]2CCC(=O)N2)C1 ZINC001405100097 889428824 /nfs/dbraw/zinc/42/88/24/889428824.db2.gz MTAJLEAAHORKKY-IJLUTSLNSA-N 0 3 299.371 -1.195 20 0 CAADHN CN(C(=O)COCc1nncn1C)[C@@H]1CCN(CCO)C1 ZINC001405125596 889428969 /nfs/dbraw/zinc/42/89/69/889428969.db2.gz RYGXKXVIWQJFMF-LLVKDONJSA-N 0 3 297.359 -1.143 20 0 CAADHN CCN(C(=O)Cn1ncnn1)[C@H]1CCN(CCCO)C1 ZINC001405168339 889429100 /nfs/dbraw/zinc/42/91/00/889429100.db2.gz LVWZMYGFHZUNRE-NSHDSACASA-N 0 3 282.348 -1.022 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001405147434 889429252 /nfs/dbraw/zinc/42/92/52/889429252.db2.gz YIUFWKQTKQITRL-UWVGGRQHSA-N 0 3 293.389 -1.551 20 0 CAADHN CC[C@H](CNC(=O)CNC(C)=O)N[C@@H](C)C(=O)NC ZINC001405197171 889431907 /nfs/dbraw/zinc/43/19/07/889431907.db2.gz QMSXAAAETYWLDM-WCBMZHEXSA-N 0 3 272.349 -1.259 20 0 CAADHN CC[C@H](CNC(=O)c1cocn1)NCC(=O)NC(N)=O ZINC001405204919 889434357 /nfs/dbraw/zinc/43/43/57/889434357.db2.gz JTTLPEBRMZATRW-SSDOTTSWSA-N 0 3 283.288 -1.033 20 0 CAADHN CC[C@H](CNC(=O)C[C@H]1COC(=O)C1)NCC(N)=O ZINC001405208361 889434624 /nfs/dbraw/zinc/43/46/24/889434624.db2.gz CTSCGYUZMOCCPA-RKDXNWHRSA-N 0 3 271.317 -1.091 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)N(C)C ZINC001405205103 889434981 /nfs/dbraw/zinc/43/49/81/889434981.db2.gz KXHFDVVAYOGMJL-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@@H](CNC(=O)c1cocn1)NCC(=O)NC(N)=O ZINC001405204923 889435209 /nfs/dbraw/zinc/43/52/09/889435209.db2.gz JTTLPEBRMZATRW-ZETCQYMHSA-N 0 3 283.288 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)N(C)C ZINC001405223820 889437015 /nfs/dbraw/zinc/43/70/15/889437015.db2.gz MXFLBLJJZAJNFB-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(=O)NC)NCC(N)=O ZINC001405218751 889437220 /nfs/dbraw/zinc/43/72/20/889437220.db2.gz JIILXYLDYZUGID-QMMMGPOBSA-N 0 3 273.337 -1.725 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)N(C)C ZINC001405223809 889437253 /nfs/dbraw/zinc/43/72/53/889437253.db2.gz MXFLBLJJZAJNFB-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN CC[C@@H](CNC(=O)CS(C)(=O)=O)N[C@@H]1CCNC1=O ZINC001405213092 889437646 /nfs/dbraw/zinc/43/76/46/889437646.db2.gz YCGLASIEZAHMJB-DTWKUNHWSA-N 0 3 291.373 -1.596 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)NCC(=O)N(C)C ZINC001405282286 889445012 /nfs/dbraw/zinc/44/50/12/889445012.db2.gz KJAGTCYGMGIQPG-MRVPVSSYSA-N 0 3 283.336 -1.604 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NCC(=O)NC ZINC001405285685 889445440 /nfs/dbraw/zinc/44/54/40/889445440.db2.gz HPTQXZUQQBRUTE-YUMQZZPRSA-N 0 3 271.321 -2.102 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001405294435 889446913 /nfs/dbraw/zinc/44/69/13/889446913.db2.gz BQYOVTLWFIBFKV-BBBLOLIVSA-N 0 3 284.360 -1.272 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)N[C@@H](C)C(=O)N(C)C ZINC001405275019 889447033 /nfs/dbraw/zinc/44/70/33/889447033.db2.gz DCZZXHXCLQJXSA-IUCAKERBSA-N 0 3 297.363 -1.215 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H](C)OC)N(C)C ZINC001405305821 889448680 /nfs/dbraw/zinc/44/86/80/889448680.db2.gz FQAMVROHCGZDQE-OUAUKWLOSA-N 0 3 289.376 -1.045 20 0 CAADHN CC[C@H](CNC(=O)CCNC(N)=O)NCC(=O)N1CCC1 ZINC001405337426 889449010 /nfs/dbraw/zinc/44/90/10/889449010.db2.gz JNAFRFXJSPSHIK-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NC(=O)[C@@H](C)OC)N(C)C ZINC001405305805 889449062 /nfs/dbraw/zinc/44/90/62/889449062.db2.gz FQAMVROHCGZDQE-GMTAPVOTSA-N 0 3 289.376 -1.045 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](CO)NC(=O)c1cn[nH]c1 ZINC001405332715 889449198 /nfs/dbraw/zinc/44/91/98/889449198.db2.gz CYAPUROOKJUKTF-NSHDSACASA-N 0 3 297.359 -1.042 20 0 CAADHN CC[C@@H](CNC(=O)c1cccn(C)c1=O)NCC(N)=O ZINC001405340488 889449846 /nfs/dbraw/zinc/44/98/46/889449846.db2.gz ANFSFTQUYOLXTM-VIFPVBQESA-N 0 3 280.328 -1.031 20 0 CAADHN CC[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)NCC(=O)NC ZINC001405341642 889449858 /nfs/dbraw/zinc/44/98/58/889449858.db2.gz IUFXOYXJAUBRPK-SECBINFHSA-N 0 3 295.343 -1.042 20 0 CAADHN COCC(=O)N[C@@H](CO)CNC(=O)[C@H](C(C)C)N(C)C ZINC001405330733 889450161 /nfs/dbraw/zinc/45/01/61/889450161.db2.gz BBIDLTCWMRHIGR-PWSUYJOCSA-N 0 3 289.376 -1.188 20 0 CAADHN CC[C@H](CNC(=O)c1cccn(C)c1=O)NCC(N)=O ZINC001405340473 889450322 /nfs/dbraw/zinc/45/03/22/889450322.db2.gz ANFSFTQUYOLXTM-SECBINFHSA-N 0 3 280.328 -1.031 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cncn1)NCC(=O)N1CCC1 ZINC001405348975 889451797 /nfs/dbraw/zinc/45/17/97/889451797.db2.gz ZAOSGKJLPWMTPL-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CC[C@@H](CNC(=O)CS(=O)(=O)CC)N[C@H](C)C(N)=O ZINC001405375078 889451958 /nfs/dbraw/zinc/45/19/58/889451958.db2.gz RSFSTERMGSWZLH-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ccnc1)NCC(=O)NC(N)=O ZINC001405372282 889452744 /nfs/dbraw/zinc/45/27/44/889452744.db2.gz QDFVKNWFTGCLOJ-VIFPVBQESA-N 0 3 296.331 -1.438 20 0 CAADHN CC[C@H](CNC(=O)Cn1ccnc1)NCC(=O)NC(N)=O ZINC001405372277 889452824 /nfs/dbraw/zinc/45/28/24/889452824.db2.gz QDFVKNWFTGCLOJ-SECBINFHSA-N 0 3 296.331 -1.438 20 0 CAADHN CC[C@H](CNC(=O)CCN1CCCC1=O)NCC(N)=O ZINC001405352743 889452876 /nfs/dbraw/zinc/45/28/76/889452876.db2.gz SLKMTTGIVAKIGW-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001405470603 889455143 /nfs/dbraw/zinc/45/51/43/889455143.db2.gz IBSONBUJTJXFAR-ISVAXAHUSA-N 0 3 284.360 -1.142 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)Cn1cnnn1)C1CC1 ZINC001405430176 889455835 /nfs/dbraw/zinc/45/58/35/889455835.db2.gz VDMUWSPQGIMFNW-NSHDSACASA-N 0 3 281.320 -1.967 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001405470602 889456993 /nfs/dbraw/zinc/45/69/93/889456993.db2.gz IBSONBUJTJXFAR-AMIZOPFISA-N 0 3 284.360 -1.142 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)c1cc2n(n1)CCO2 ZINC001405595596 889461581 /nfs/dbraw/zinc/46/15/81/889461581.db2.gz HEJLARYXILUANX-SECBINFHSA-N 0 3 293.327 -1.045 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H]1CN[C@H](C)C(N)=O ZINC001405599689 889461913 /nfs/dbraw/zinc/46/19/13/889461913.db2.gz PMYNGRDEBBMBNN-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001405599687 889462309 /nfs/dbraw/zinc/46/23/09/889462309.db2.gz PMYNGRDEBBMBNN-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001405600686 889462601 /nfs/dbraw/zinc/46/26/01/889462601.db2.gz YIEOABOZWIDUIJ-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CCc1nnc[n-]1)C(N)=O ZINC001405648655 889464213 /nfs/dbraw/zinc/46/42/13/889464213.db2.gz SKMFZWJONIWONI-RKDXNWHRSA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@H](CNC(=O)CCc1nnc[n-]1)C[NH2+][C@H](C)C(N)=O ZINC001405648643 889465404 /nfs/dbraw/zinc/46/54/04/889465404.db2.gz SKMFZWJONIWONI-DTWKUNHWSA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@H](CNC(=O)CCc1nnc[n-]1)C[NH2+][C@@H](C)C(N)=O ZINC001405648647 889465462 /nfs/dbraw/zinc/46/54/62/889465462.db2.gz SKMFZWJONIWONI-IUCAKERBSA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cnccn1 ZINC001405780362 889466447 /nfs/dbraw/zinc/46/64/47/889466447.db2.gz ATXGPAXWTSZVRS-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001405789048 889467138 /nfs/dbraw/zinc/46/71/38/889467138.db2.gz AILXYTIXVDWMMS-WDEREUQCSA-N 0 3 286.376 -1.501 20 0 CAADHN CC[C@H](NC[C@@H](C)N(C)C(=O)CNC(C)=O)C(N)=O ZINC001405790333 889468338 /nfs/dbraw/zinc/46/83/38/889468338.db2.gz USEQGKXSIRRRDQ-SCZZXKLOSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](CNC(=O)c1nnc[nH]1)C[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001405700631 889469185 /nfs/dbraw/zinc/46/91/85/889469185.db2.gz HUYGXBYQEZNIBO-SSDOTTSWSA-N 0 3 294.319 -1.618 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cnccn1 ZINC001405780367 889469283 /nfs/dbraw/zinc/46/92/83/889469283.db2.gz ATXGPAXWTSZVRS-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN COCCn1cc(C(=O)N(C)[C@@H](C)CNCC(N)=O)nn1 ZINC001405823952 889470324 /nfs/dbraw/zinc/47/03/24/889470324.db2.gz PGEZIJYFTMGKGZ-VIFPVBQESA-N 0 3 298.347 -1.540 20 0 CAADHN CC[C@H](NC[C@@H](C)N(C)C(=O)Cn1cncn1)C(N)=O ZINC001405893161 889470836 /nfs/dbraw/zinc/47/08/36/889470836.db2.gz JMLOGSVKCQJHQK-ZJUUUORDSA-N 0 3 282.348 -1.022 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)c1ncn(C)n1 ZINC001405800551 889471015 /nfs/dbraw/zinc/47/10/15/889471015.db2.gz CCUDVOHJUCALCJ-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)c1cnn(C)n1 ZINC001405875261 889471114 /nfs/dbraw/zinc/47/11/14/889471114.db2.gz OAMKCBJTNDJVPH-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cc1ncc[nH]1 ZINC001405875507 889471135 /nfs/dbraw/zinc/47/11/35/889471135.db2.gz UZUZYQQXMJBMNN-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN COCC(=O)N(C)[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001405796887 889471296 /nfs/dbraw/zinc/47/12/96/889471296.db2.gz URIOASJFIGNZTG-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001405892769 889471348 /nfs/dbraw/zinc/47/13/48/889471348.db2.gz ILXRYVJGCAEOFL-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)COCc1nncn1C ZINC001405887725 889471954 /nfs/dbraw/zinc/47/19/54/889471954.db2.gz RSPZZQWCOAHVMZ-VIFPVBQESA-N 0 3 298.347 -1.747 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)c1cnon1 ZINC001405868591 889471988 /nfs/dbraw/zinc/47/19/88/889471988.db2.gz OPDYGONYJXANNQ-SSDOTTSWSA-N 0 3 298.303 -1.425 20 0 CAADHN CCN1CCO[C@H](C(=O)N(C)[C@@H](C)CNCC(N)=O)C1 ZINC001405899279 889472427 /nfs/dbraw/zinc/47/24/27/889472427.db2.gz QGZLBSVHVAQFLO-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(N)=O ZINC001406042379 889473847 /nfs/dbraw/zinc/47/38/47/889473847.db2.gz JPKYEQCGCIMDIH-HRDYMLBCSA-N 0 3 270.333 -1.677 20 0 CAADHN CC(C)[C@H](CNC(=O)C[C@H](C)NC(N)=O)NCC(N)=O ZINC001406022247 889474307 /nfs/dbraw/zinc/47/43/07/889474307.db2.gz SNTYRISFGWQSBZ-IUCAKERBSA-N 0 3 287.364 -1.351 20 0 CAADHN CC(C)[C@H](CNC(=O)C[C@@H](C)NC(N)=O)NCC(N)=O ZINC001406022242 889476331 /nfs/dbraw/zinc/47/63/31/889476331.db2.gz SNTYRISFGWQSBZ-BDAKNGLRSA-N 0 3 287.364 -1.351 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cc(C)no1 ZINC001406182334 889477773 /nfs/dbraw/zinc/47/77/73/889477773.db2.gz ITSIKDHVIMIPKE-BDAKNGLRSA-N 0 3 284.316 -1.202 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1ccccn1 ZINC001406188983 889477944 /nfs/dbraw/zinc/47/79/44/889477944.db2.gz MBZXBDAGVLUPDV-VHSXEESVSA-N 0 3 280.328 -1.104 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1CCC1)N1CCOCC1 ZINC001406185120 889477965 /nfs/dbraw/zinc/47/79/65/889477965.db2.gz GDAZULRNAYGSFJ-GFCCVEGCSA-N 0 3 299.371 -1.288 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ccccn1 ZINC001406188980 889478113 /nfs/dbraw/zinc/47/81/13/889478113.db2.gz MBZXBDAGVLUPDV-UWVGGRQHSA-N 0 3 280.328 -1.104 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N(C)CCN(C)CCCO ZINC001406145166 889478495 /nfs/dbraw/zinc/47/84/95/889478495.db2.gz XXCPKLWGIFSVAS-JTQLQIEISA-N 0 3 295.405 -1.303 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001406186382 889478669 /nfs/dbraw/zinc/47/86/69/889478669.db2.gz FFYNUAKHUPSDOM-QMMMGPOBSA-N 0 3 297.315 -2.001 20 0 CAADHN O=C(CCn1cncn1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001406182462 889478694 /nfs/dbraw/zinc/47/86/94/889478694.db2.gz DCFVUUZYIUFQIQ-VHSXEESVSA-N 0 3 296.331 -2.377 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)N(C)Cc1cnn(C)c1 ZINC001406181235 889479024 /nfs/dbraw/zinc/47/90/24/889479024.db2.gz BYBVXZGNRCSJEL-GFCCVEGCSA-N 0 3 297.359 -1.535 20 0 CAADHN COCCN(C)CCN(C)C(=O)Cn1nc(C)n(C)c1=O ZINC001406167268 889479055 /nfs/dbraw/zinc/47/90/55/889479055.db2.gz RVBCXUUSTNGIHT-UHFFFAOYSA-N 0 3 299.375 -1.073 20 0 CAADHN CC(=O)CCCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001406178118 889479262 /nfs/dbraw/zinc/47/92/62/889479262.db2.gz DMJJFANYQNEOEC-GHMZBOCLSA-N 0 3 285.344 -1.299 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccncc1 ZINC001406183443 889479373 /nfs/dbraw/zinc/47/93/73/889479373.db2.gz DHEWRJQBXZYOCZ-NSHDSACASA-N 0 3 280.328 -1.150 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1ccccn1 ZINC001406188986 889479466 /nfs/dbraw/zinc/47/94/66/889479466.db2.gz MBZXBDAGVLUPDV-ZJUUUORDSA-N 0 3 280.328 -1.104 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccccn1 ZINC001406188977 889479669 /nfs/dbraw/zinc/47/96/69/889479669.db2.gz MBZXBDAGVLUPDV-NXEZZACHSA-N 0 3 280.328 -1.104 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@@H](CC)C(N)=O)[nH]n1 ZINC001406190913 889479708 /nfs/dbraw/zinc/47/97/08/889479708.db2.gz OWNNCUFOWBJKHP-UWVGGRQHSA-N 0 3 297.359 -1.084 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@H](C)c1n[nH]c(C)n1 ZINC001406187522 889479938 /nfs/dbraw/zinc/47/99/38/889479938.db2.gz IGMGZMSCHBBVNA-VXNVDRBHSA-N 0 3 271.321 -1.113 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C(F)F)C(=O)NC1CC1 ZINC001406203925 889480941 /nfs/dbraw/zinc/48/09/41/889480941.db2.gz RZULRZKSFONFMW-POYBYMJQSA-N 0 3 279.287 -1.015 20 0 CAADHN Cc1[nH]ccc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001406198782 889481147 /nfs/dbraw/zinc/48/11/47/889481147.db2.gz CMHSRWFIFGGYAB-ONGXEEELSA-N 0 3 280.328 -1.108 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2ccncc2)C1=O ZINC001406193280 889481238 /nfs/dbraw/zinc/48/12/38/889481238.db2.gz QTGZWOYTASDEMZ-NEPJUHHUSA-N 0 3 292.339 -1.007 20 0 CAADHN Cc1[nH]ccc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001406198773 889481977 /nfs/dbraw/zinc/48/19/77/889481977.db2.gz CMHSRWFIFGGYAB-KOLCDFICSA-N 0 3 280.328 -1.108 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001406201900 889482047 /nfs/dbraw/zinc/48/20/47/889482047.db2.gz BBKDHYZMNYIVSJ-YUMQZZPRSA-N 0 3 283.292 -3.372 20 0 CAADHN Cc1[nH]ccc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001406198779 889482071 /nfs/dbraw/zinc/48/20/71/889482071.db2.gz CMHSRWFIFGGYAB-MWLCHTKSSA-N 0 3 280.328 -1.108 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnn(C)c1N ZINC001406197489 889482508 /nfs/dbraw/zinc/48/25/08/889482508.db2.gz AHHCELBFVAOKBV-YUMQZZPRSA-N 0 3 298.347 -2.183 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnn(C)c1N ZINC001406197438 889482796 /nfs/dbraw/zinc/48/27/96/889482796.db2.gz AHHCELBFVAOKBV-HTQZYQBOSA-N 0 3 298.347 -2.183 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cn1cnnn1 ZINC001406203209 889483090 /nfs/dbraw/zinc/48/30/90/889483090.db2.gz SSJIMOBNLRMDFC-SFYZADRCSA-N 0 3 285.308 -3.126 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)c1 ZINC001406198852 889482846 /nfs/dbraw/zinc/48/28/46/889482846.db2.gz CRBBHOHLEBGRNP-DTWKUNHWSA-N 0 3 281.316 -2.011 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)c1 ZINC001406198844 889483032 /nfs/dbraw/zinc/48/30/32/889483032.db2.gz CRBBHOHLEBGRNP-BDAKNGLRSA-N 0 3 281.316 -2.011 20 0 CAADHN Cc1nnsc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001406193296 889483270 /nfs/dbraw/zinc/48/32/70/889483270.db2.gz XRONTCXLPIBYER-LURJTMIESA-N 0 3 273.318 -1.988 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCc1ccnn1C ZINC001406197245 889483326 /nfs/dbraw/zinc/48/33/26/889483326.db2.gz PTDYJKHECKGULF-BXKDBHETSA-N 0 3 297.359 -1.489 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001406201507 889483346 /nfs/dbraw/zinc/48/33/46/889483346.db2.gz FDNWWKWQUCSHFN-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CC1OCCCO1)C(N)=O ZINC001406203554 889483374 /nfs/dbraw/zinc/48/33/74/889483374.db2.gz GYOCEEIQNMRWQD-RKDXNWHRSA-N 0 3 289.332 -1.920 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2ccncc2)C1=O ZINC001406193289 889483429 /nfs/dbraw/zinc/48/34/29/889483429.db2.gz QTGZWOYTASDEMZ-RYUDHWBXSA-N 0 3 292.339 -1.007 20 0 CAADHN CCn1ccnc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001406211845 889484401 /nfs/dbraw/zinc/48/44/01/889484401.db2.gz JQOVLPKFAQUVMH-SECBINFHSA-N 0 3 283.332 -1.671 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1cc[nH]n1)C(N)=O ZINC001406214353 889484529 /nfs/dbraw/zinc/48/45/29/889484529.db2.gz OKTUJXNPRDXZEZ-VHSXEESVSA-N 0 3 283.332 -1.717 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)c1 ZINC001406208891 889484983 /nfs/dbraw/zinc/48/49/83/889484983.db2.gz KIAXRDOLGBAJJZ-LBPRGKRZSA-N 0 3 294.355 -1.016 20 0 CAADHN O=C(CCn1ccnn1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001406212201 889484998 /nfs/dbraw/zinc/48/49/98/889484998.db2.gz LPPAPSAVRNZYFM-VHSXEESVSA-N 0 3 296.331 -2.377 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001406208530 889485152 /nfs/dbraw/zinc/48/51/52/889485152.db2.gz GOEXOYOMZFZDGC-DTWKUNHWSA-N 0 3 295.343 -1.618 20 0 CAADHN CCn1ccnc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001406211438 889485208 /nfs/dbraw/zinc/48/52/08/889485208.db2.gz JBHAPRWDGGJOLK-NXEZZACHSA-N 0 3 295.343 -1.528 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001406210279 889485397 /nfs/dbraw/zinc/48/53/97/889485397.db2.gz KTMFMWGNLGRXLY-YUMQZZPRSA-N 0 3 295.361 -2.768 20 0 CAADHN O=C(CCn1ccnn1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001406212183 889486387 /nfs/dbraw/zinc/48/63/87/889486387.db2.gz LPPAPSAVRNZYFM-NXEZZACHSA-N 0 3 296.331 -2.377 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)Cc1cc[nH]n1)C(N)=O ZINC001406214313 889486499 /nfs/dbraw/zinc/48/64/99/889486499.db2.gz OKTUJXNPRDXZEZ-NXEZZACHSA-N 0 3 283.332 -1.717 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001406210265 889486653 /nfs/dbraw/zinc/48/66/53/889486653.db2.gz KTMFMWGNLGRXLY-SFYZADRCSA-N 0 3 295.361 -2.768 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cccnc1)[C@@H]1COC(=O)N1 ZINC001406219588 889487752 /nfs/dbraw/zinc/48/77/52/889487752.db2.gz RBKYFJVGVZMSKJ-QWRGUYRKSA-N 0 3 294.311 -1.243 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)co1 ZINC001406216422 889488141 /nfs/dbraw/zinc/48/81/41/889488141.db2.gz OUPIWBQUZYGECP-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ncc[nH]1)NCC1CC1 ZINC001406217418 889488202 /nfs/dbraw/zinc/48/82/02/889488202.db2.gz JQOIFZXSAJKQFK-SNVBAGLBSA-N 0 3 295.343 -1.384 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccc(F)cn1)C(N)=O ZINC001406217319 889488247 /nfs/dbraw/zinc/48/82/47/889488247.db2.gz PIEAATDBQJAWPE-CBAPKCEASA-N 0 3 284.291 -1.225 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCCO1 ZINC001406222210 889488396 /nfs/dbraw/zinc/48/83/96/889488396.db2.gz QVEDDEJQNIZOEB-NXEZZACHSA-N 0 3 273.333 -1.632 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)COC(C)C ZINC001406221662 889488604 /nfs/dbraw/zinc/48/86/04/889488604.db2.gz UNCBVBXBARQHAF-UWVGGRQHSA-N 0 3 275.349 -1.387 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cncnc1 ZINC001406220782 889488792 /nfs/dbraw/zinc/48/87/92/889488792.db2.gz SHZAQDQTIRBTII-LLVKDONJSA-N 0 3 295.343 -1.319 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccc(F)cn1)C(N)=O ZINC001406217304 889488868 /nfs/dbraw/zinc/48/88/68/889488868.db2.gz PIEAATDBQJAWPE-APPZFPTMSA-N 0 3 284.291 -1.225 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ncoc1C ZINC001406217866 889488879 /nfs/dbraw/zinc/48/88/79/889488879.db2.gz PTBDDQVFLIZALV-VXNVDRBHSA-N 0 3 284.316 -1.202 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001406224111 889488903 /nfs/dbraw/zinc/48/89/03/889488903.db2.gz WAZOYFUKODMZEB-POYBYMJQSA-N 0 3 270.289 -1.463 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)c1 ZINC001406216627 889489096 /nfs/dbraw/zinc/48/90/96/889489096.db2.gz PSCPZDNIXFZXEB-MNOVXSKESA-N 0 3 280.328 -1.406 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccncc1F ZINC001406221362 889489123 /nfs/dbraw/zinc/48/91/23/889489123.db2.gz WGXWLIUPSFKGDN-LDYMZIIASA-N 0 3 296.302 -1.211 20 0 CAADHN O=C(Cc1ccon1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001406221037 889489150 /nfs/dbraw/zinc/48/91/50/889489150.db2.gz OVPJPCOYWKURCC-ZJUUUORDSA-N 0 3 282.300 -1.828 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)CC1(O)CCC1)NC1CC1 ZINC001406222564 889489206 /nfs/dbraw/zinc/48/92/06/889489206.db2.gz OXFUMEXEJYQXPQ-NSHDSACASA-N 0 3 299.371 -1.363 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnnn1C ZINC001406218627 889489251 /nfs/dbraw/zinc/48/92/51/889489251.db2.gz PSBWEYXULHURGU-QMMMGPOBSA-N 0 3 284.320 -2.416 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001406222214 889489273 /nfs/dbraw/zinc/48/92/73/889489273.db2.gz QVEDDEJQNIZOEB-UWVGGRQHSA-N 0 3 273.333 -1.632 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)c1 ZINC001406222742 889489309 /nfs/dbraw/zinc/48/93/09/889489309.db2.gz XXLVNEPDBSDSEO-VHSXEESVSA-N 0 3 295.343 -1.621 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)co1 ZINC001406216445 889489407 /nfs/dbraw/zinc/48/94/07/889489407.db2.gz OUPIWBQUZYGECP-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cn(C)nc1C)C(N)=O ZINC001406223575 889489633 /nfs/dbraw/zinc/48/96/33/889489633.db2.gz RBEGTMQACYJATH-GXSJLCMTSA-N 0 3 297.359 -1.327 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cn(C)nc1C)C(N)=O ZINC001406223597 889489668 /nfs/dbraw/zinc/48/96/68/889489668.db2.gz RBEGTMQACYJATH-MWLCHTKSSA-N 0 3 297.359 -1.327 20 0 CAADHN CO[C@H](C(=O)NC[C@@H](O)CNCC(=O)N(C)C)C1CC1 ZINC001406226260 889491261 /nfs/dbraw/zinc/49/12/61/889491261.db2.gz ZJVWPTCCUFOCOO-JQWIXIFHSA-N 0 3 287.360 -1.434 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cn(C)nc1C ZINC001406227330 889491284 /nfs/dbraw/zinc/49/12/84/889491284.db2.gz XRNAYOKWHQOJSH-UWVGGRQHSA-N 0 3 297.359 -1.457 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001406224119 889491405 /nfs/dbraw/zinc/49/14/05/889491405.db2.gz WAZOYFUKODMZEB-XPUUQOCRSA-N 0 3 270.289 -1.463 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccnnc1C ZINC001406231307 889491467 /nfs/dbraw/zinc/49/14/67/889491467.db2.gz DAVZERFDCCKQPN-SNVBAGLBSA-N 0 3 295.343 -1.399 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)COC1CCCC1 ZINC001406229954 889491583 /nfs/dbraw/zinc/49/15/83/889491583.db2.gz YXBVLXLNRZVIHB-VIFPVBQESA-N 0 3 273.333 -1.502 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001406229261 889491922 /nfs/dbraw/zinc/49/19/22/889491922.db2.gz VXAYYWLERMBUNX-MRVPVSSYSA-N 0 3 284.320 -2.416 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)n1cncn1 ZINC001406224444 889492593 /nfs/dbraw/zinc/49/25/93/889492593.db2.gz XLSSTIPGHCXAFF-ZJUUUORDSA-N 0 3 298.347 -1.958 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001406227988 889493432 /nfs/dbraw/zinc/49/34/32/889493432.db2.gz WVAIDDJVDUSYFI-JTQLQIEISA-N 0 3 283.332 -1.384 20 0 CAADHN Cc1[nH]nc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)c1C ZINC001406227293 889493520 /nfs/dbraw/zinc/49/35/20/889493520.db2.gz XNYJBCGUODMVOJ-JTQLQIEISA-N 0 3 297.359 -1.205 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1ccnn1C)C(N)=O ZINC001406244599 889494484 /nfs/dbraw/zinc/49/44/84/889494484.db2.gz YTMFGYBGKGYEBT-GXSJLCMTSA-N 0 3 297.359 -1.707 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCc1ccnn1C)C(N)=O ZINC001406244620 889495560 /nfs/dbraw/zinc/49/55/60/889495560.db2.gz YTMFGYBGKGYEBT-ONGXEEELSA-N 0 3 297.359 -1.707 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1ccncc1)C(N)=O ZINC001406242714 889495699 /nfs/dbraw/zinc/49/56/99/889495699.db2.gz CVMHNLZRWYJGFO-ZYHUDNBSSA-N 0 3 294.355 -1.045 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cnn(C)c1C ZINC001406233798 889495805 /nfs/dbraw/zinc/49/58/05/889495805.db2.gz HEYZIWPKUMBMAX-LLVKDONJSA-N 0 3 297.359 -1.916 20 0 CAADHN COCc1ccccc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001406239139 889496184 /nfs/dbraw/zinc/49/61/84/889496184.db2.gz MECBCFVIPKDXKT-LLVKDONJSA-N 0 3 295.339 -1.001 20 0 CAADHN CCn1ccc(CNC[C@H](O)CNC(=O)c2cn[nH]n2)n1 ZINC001406241888 889496219 /nfs/dbraw/zinc/49/62/19/889496219.db2.gz BYMRSCSAMNXCJI-JTQLQIEISA-N 0 3 293.331 -1.098 20 0 CAADHN CC[C@H](C(=O)NC[C@@H](O)CNCc1cn(C)nn1)N(C)C ZINC001406245300 889496449 /nfs/dbraw/zinc/49/64/49/889496449.db2.gz PJFXEDJIZADIJO-NWDGAFQWSA-N 0 3 298.391 -1.278 20 0 CAADHN Cc1ncc(CC(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)o1 ZINC001406241722 889496557 /nfs/dbraw/zinc/49/65/57/889496557.db2.gz NZFFVTPFZJZPRL-ONGXEEELSA-N 0 3 296.327 -1.519 20 0 CAADHN COCC(C)(C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001406247760 889497801 /nfs/dbraw/zinc/49/78/01/889497801.db2.gz QKXSCYPRXYRLKP-JTQLQIEISA-N 0 3 289.376 -1.186 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)C1(C2CC2)CC1 ZINC001406255337 889497846 /nfs/dbraw/zinc/49/78/46/889497846.db2.gz XXGOLILCBSRQOK-SECBINFHSA-N 0 3 298.343 -1.562 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1C[C@@H]1C ZINC001406250670 889497956 /nfs/dbraw/zinc/49/79/56/889497956.db2.gz JAIQHDXYUHAGLV-CIUDSAMLSA-N 0 3 286.332 -1.835 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)Cc1cnoc1 ZINC001406257804 889498299 /nfs/dbraw/zinc/49/82/99/889498299.db2.gz GHSRHNIFJSUUDN-NSHDSACASA-N 0 3 298.343 -1.192 20 0 CAADHN Cn1ncc(CCC(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001406260673 889498441 /nfs/dbraw/zinc/49/84/41/889498441.db2.gz MQLDTHPFOITGIA-SECBINFHSA-N 0 3 284.320 -2.700 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1n[nH]cc1F ZINC001406257999 889499155 /nfs/dbraw/zinc/49/91/55/889499155.db2.gz LFZHTFLRNHCXKV-BQBZGAKWSA-N 0 3 287.295 -1.636 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1cncs1 ZINC001406257832 889499286 /nfs/dbraw/zinc/49/92/86/889499286.db2.gz YXTMADIZLWFUIJ-SSDOTTSWSA-N 0 3 272.330 -1.762 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CNC(=O)c2cnco2)C1=O ZINC001406248231 889499471 /nfs/dbraw/zinc/49/94/71/889499471.db2.gz MVJBIHXLPVXYFV-VHSXEESVSA-N 0 3 296.327 -1.024 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1nccc2occc21 ZINC001406260727 889499716 /nfs/dbraw/zinc/49/97/16/889499716.db2.gz XLYNPJUPVDIWBG-QMMMGPOBSA-N 0 3 292.295 -1.007 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1conc1C ZINC001406263095 889501272 /nfs/dbraw/zinc/50/12/72/889501272.db2.gz CYZHTIBPHWLECF-VIFPVBQESA-N 0 3 284.316 -1.201 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)c(C)o1 ZINC001406270364 889501174 /nfs/dbraw/zinc/50/11/74/889501174.db2.gz BFNYEWJKSZARJK-VHSXEESVSA-N 0 3 296.327 -1.140 20 0 CAADHN CCCn1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cn1 ZINC001406270415 889501394 /nfs/dbraw/zinc/50/13/94/889501394.db2.gz RHUMMJNSPBYFOB-GXSJLCMTSA-N 0 3 297.359 -1.153 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNCC(N)=O ZINC001406265728 889501415 /nfs/dbraw/zinc/50/14/15/889501415.db2.gz ZTYLQFIMTVZQGT-RKDXNWHRSA-N 0 3 274.321 -2.547 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnc(C)n1C ZINC001406263940 889501467 /nfs/dbraw/zinc/50/14/67/889501467.db2.gz SMPYGCDOUKRWND-WCBMZHEXSA-N 0 3 297.359 -1.457 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)ccc1F ZINC001406265593 889501516 /nfs/dbraw/zinc/50/15/16/889501516.db2.gz ZIZCKUZDYLEYPJ-VIFPVBQESA-N 0 3 299.302 -1.000 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccn(CC)n1)C(N)=O ZINC001406271470 889501695 /nfs/dbraw/zinc/50/16/95/889501695.db2.gz SZRWQSCWOMLQNV-UWVGGRQHSA-N 0 3 297.359 -1.153 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1Cc2ccccc2C1 ZINC001406274027 889502132 /nfs/dbraw/zinc/50/21/32/889502132.db2.gz QPAHIHQPWGYBKC-CYBMUJFWSA-N 0 3 291.351 -1.047 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCc2cccnc21 ZINC001406261520 889502274 /nfs/dbraw/zinc/50/22/74/889502274.db2.gz ABXKKDOUPIKCIP-GHMZBOCLSA-N 0 3 292.339 -1.337 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1(C)CCOCC1 ZINC001406273994 889503061 /nfs/dbraw/zinc/50/30/61/889503061.db2.gz KQKZTVATDXZHEZ-SNVBAGLBSA-N 0 3 287.360 -1.384 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccn(CC)n1)C(N)=O ZINC001406271475 889503076 /nfs/dbraw/zinc/50/30/76/889503076.db2.gz SZRWQSCWOMLQNV-VHSXEESVSA-N 0 3 297.359 -1.153 20 0 CAADHN CCCn1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001406270420 889503117 /nfs/dbraw/zinc/50/31/17/889503117.db2.gz RHUMMJNSPBYFOB-KOLCDFICSA-N 0 3 297.359 -1.153 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)[C@H]1CNC(=O)N1 ZINC001406265958 889503430 /nfs/dbraw/zinc/50/34/30/889503430.db2.gz JVSXPPMBLACWBY-NXEZZACHSA-N 0 3 296.331 -2.332 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1cnn(C)n1 ZINC001406269431 889503448 /nfs/dbraw/zinc/50/34/48/889503448.db2.gz MWBGXDJRJGQLHJ-JTQLQIEISA-N 0 3 298.347 -2.440 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)Cn1cncn1 ZINC001406273259 889503503 /nfs/dbraw/zinc/50/35/03/889503503.db2.gz FEWGQMDLRGLKCH-JTQLQIEISA-N 0 3 298.347 -2.131 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1cnoc1)C(=O)N(C)C ZINC001406262285 889503839 /nfs/dbraw/zinc/50/38/39/889503839.db2.gz ORVFNXLLIQESLF-KOLCDFICSA-N 0 3 298.343 -1.240 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1Cc2ccccc2C1 ZINC001406274033 889503926 /nfs/dbraw/zinc/50/39/26/889503926.db2.gz QPAHIHQPWGYBKC-ZDUSSCGKSA-N 0 3 291.351 -1.047 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnc(C)n1C ZINC001406263946 889504029 /nfs/dbraw/zinc/50/40/29/889504029.db2.gz SMPYGCDOUKRWND-WPRPVWTQSA-N 0 3 297.359 -1.457 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cn(CC)cn1)C(N)=O ZINC001406274177 889504151 /nfs/dbraw/zinc/50/41/51/889504151.db2.gz FKWOALQJKICMIO-ZJUUUORDSA-N 0 3 297.359 -1.153 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNCc1nnn(C)n1)N(C)C ZINC001406264429 889504308 /nfs/dbraw/zinc/50/43/08/889504308.db2.gz XRQXHVAUDDEZBH-ZJUUUORDSA-N 0 3 299.379 -1.883 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C1(C)CCOCC1 ZINC001406273992 889504366 /nfs/dbraw/zinc/50/43/66/889504366.db2.gz KQKZTVATDXZHEZ-JTQLQIEISA-N 0 3 287.360 -1.384 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ccnnc2)C1=O ZINC001406266186 889504462 /nfs/dbraw/zinc/50/44/62/889504462.db2.gz GHNMQWIYTIAAFD-GHMZBOCLSA-N 0 3 293.327 -1.612 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)[C@@H]2CCC(=O)N2)n[nH]1 ZINC001406293730 889505312 /nfs/dbraw/zinc/50/53/12/889505312.db2.gz QSMLFAICTKTKDG-BDAKNGLRSA-N 0 3 296.331 -2.042 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)COc1cccnc1 ZINC001406282767 889505566 /nfs/dbraw/zinc/50/55/66/889505566.db2.gz RJDNDJMRWRUBGH-SNVBAGLBSA-N 0 3 296.327 -1.727 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C1(C)CCOCC1)C(N)=O ZINC001406282673 889505587 /nfs/dbraw/zinc/50/55/87/889505587.db2.gz RIOZGTSCTRKEIK-NXEZZACHSA-N 0 3 287.360 -1.256 20 0 CAADHN Cn1ccc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)n1 ZINC001406292134 889506176 /nfs/dbraw/zinc/50/61/76/889506176.db2.gz OORBOORJKDGJGI-GXSJLCMTSA-N 0 3 295.343 -1.669 20 0 CAADHN CN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)Cc2nnc[n-]2)C1=O ZINC001406288762 889506305 /nfs/dbraw/zinc/50/63/05/889506305.db2.gz OQUFCACUXYVBDH-RKDXNWHRSA-N 0 3 296.331 -2.355 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)n1 ZINC001406288127 889506530 /nfs/dbraw/zinc/50/65/30/889506530.db2.gz MXAYPOQDLGYDLS-JTQLQIEISA-N 0 3 295.343 -1.369 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1ncccn1 ZINC001406291139 889506592 /nfs/dbraw/zinc/50/65/92/889506592.db2.gz RCVWOSZDQAWAOK-UWVGGRQHSA-N 0 3 293.327 -1.565 20 0 CAADHN CN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)Cc2nnc[n-]2)C1=O ZINC001406288758 889506676 /nfs/dbraw/zinc/50/66/76/889506676.db2.gz OQUFCACUXYVBDH-IUCAKERBSA-N 0 3 296.331 -2.355 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)c1cnon1)C1CC1 ZINC001406278483 889507117 /nfs/dbraw/zinc/50/71/17/889507117.db2.gz OCKQHUALPFKCAP-SECBINFHSA-N 0 3 297.315 -1.629 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001406278650 889507153 /nfs/dbraw/zinc/50/71/53/889507153.db2.gz UGEIHMQCXDNLPE-QWRGUYRKSA-N 0 3 295.343 -1.703 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001406289526 889507357 /nfs/dbraw/zinc/50/73/57/889507357.db2.gz OLNQSFQIEBEISD-QMMMGPOBSA-N 0 3 295.361 -2.638 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccc2nccn2c1 ZINC001406290286 889507743 /nfs/dbraw/zinc/50/77/43/889507743.db2.gz VWSQDNVSBVKNOY-JTQLQIEISA-N 0 3 291.311 -1.500 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1COC(=O)N1 ZINC001406302488 889509238 /nfs/dbraw/zinc/50/92/38/889509238.db2.gz DQZLBLZEUSNGPB-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1[nH]cnc1C ZINC001406322849 889509380 /nfs/dbraw/zinc/50/93/80/889509380.db2.gz RUZWCJXGTSOIEF-IUCAKERBSA-N 0 3 283.332 -1.467 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1[nH]cnc1C ZINC001406322831 889509432 /nfs/dbraw/zinc/50/94/32/889509432.db2.gz RUZWCJXGTSOIEF-BDAKNGLRSA-N 0 3 283.332 -1.467 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)[C@H]1COC(=O)N1)C(N)=O ZINC001406303781 889509520 /nfs/dbraw/zinc/50/95/20/889509520.db2.gz FSZAIRMFVZDPJN-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)Cc2ncc[nH]2)n[nH]1 ZINC001406299066 889509736 /nfs/dbraw/zinc/50/97/36/889509736.db2.gz ZDNIITUIFXGGBQ-SECBINFHSA-N 0 3 293.331 -1.354 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@H](C)CC(N)=O ZINC001406321158 889509869 /nfs/dbraw/zinc/50/98/69/889509869.db2.gz ZHCRFYMUGQNZFQ-RKDXNWHRSA-N 0 3 272.349 -1.190 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CNCC(N)=O)c1C ZINC001406297878 889510001 /nfs/dbraw/zinc/51/00/01/889510001.db2.gz YIXCOUGNPUMUEQ-VIFPVBQESA-N 0 3 283.332 -1.623 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001406299958 889510058 /nfs/dbraw/zinc/51/00/58/889510058.db2.gz ZMMNMDMJKNSMIU-SECBINFHSA-N 0 3 283.332 -1.465 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1nnn(C)c1C ZINC001406334082 889510124 /nfs/dbraw/zinc/51/01/24/889510124.db2.gz GJWBBEDCRLHRQL-SFYZADRCSA-N 0 3 282.348 -1.034 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CNCC(N)=O)c1C ZINC001406297831 889510294 /nfs/dbraw/zinc/51/02/94/889510294.db2.gz YIXCOUGNPUMUEQ-SECBINFHSA-N 0 3 283.332 -1.623 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)Cc2ncc[nH]2)n[nH]1 ZINC001406299077 889510344 /nfs/dbraw/zinc/51/03/44/889510344.db2.gz ZDNIITUIFXGGBQ-VIFPVBQESA-N 0 3 293.331 -1.354 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001406319889 889510634 /nfs/dbraw/zinc/51/06/34/889510634.db2.gz FRYVCGRHASGNMH-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001406311675 889510975 /nfs/dbraw/zinc/51/09/75/889510975.db2.gz GTEJZCJKMUJASK-SNVBAGLBSA-N 0 3 294.315 -1.008 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)CNC(=O)C1CC1 ZINC001406316787 889511134 /nfs/dbraw/zinc/51/11/34/889511134.db2.gz OZFFNHZAILIJFJ-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CNC(=O)C1CC1 ZINC001406316794 889511193 /nfs/dbraw/zinc/51/11/93/889511193.db2.gz OZFFNHZAILIJFJ-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001406302491 889511357 /nfs/dbraw/zinc/51/13/57/889511357.db2.gz DQZLBLZEUSNGPB-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H](C)NC(N)=O ZINC001406306530 889511461 /nfs/dbraw/zinc/51/14/61/889511461.db2.gz IOXKJEIAASMMMO-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)Cn1cnnn1 ZINC001406332941 889511471 /nfs/dbraw/zinc/51/14/71/889511471.db2.gz SMZPHTOSQJZOMG-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001406302489 889511487 /nfs/dbraw/zinc/51/14/87/889511487.db2.gz DQZLBLZEUSNGPB-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001406328760 889511601 /nfs/dbraw/zinc/51/16/01/889511601.db2.gz PKVIXHDDOKOERW-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001406299959 889511659 /nfs/dbraw/zinc/51/16/59/889511659.db2.gz ZMMNMDMJKNSMIU-VIFPVBQESA-N 0 3 283.332 -1.465 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)c1nnn(C)n1 ZINC001406311065 889511706 /nfs/dbraw/zinc/51/17/06/889511706.db2.gz JHVVLBLIURMUIQ-VIFPVBQESA-N 0 3 295.347 -1.508 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)c1nccnc1N ZINC001406307452 889511726 /nfs/dbraw/zinc/51/17/26/889511726.db2.gz CFPSFXJPFZDUNS-MRVPVSSYSA-N 0 3 280.332 -1.016 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CNCC(=O)NC)c1C ZINC001406299087 889511749 /nfs/dbraw/zinc/51/17/49/889511749.db2.gz ZEAJKYHAFRBEAB-JTQLQIEISA-N 0 3 297.359 -1.362 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CN(C)C(=O)C1CC1 ZINC001406366191 889512782 /nfs/dbraw/zinc/51/27/82/889512782.db2.gz VRPDJKXMUAWINR-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001406363867 889512964 /nfs/dbraw/zinc/51/29/64/889512964.db2.gz WAZAIKMFUITGRM-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CNCC(=O)N1CCC1 ZINC001406341078 889513211 /nfs/dbraw/zinc/51/32/11/889513211.db2.gz YSJSCMZQHDRQLJ-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC ZINC001406340817 889513826 /nfs/dbraw/zinc/51/38/26/889513826.db2.gz WOVZEZBSJRXDLO-RKDXNWHRSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1COC(=O)N1 ZINC001406350729 889514079 /nfs/dbraw/zinc/51/40/79/889514079.db2.gz KUKTXUIXXHEPKF-SFYZADRCSA-N 0 3 272.305 -1.723 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H](C)CN[C@H](C)C(N)=O ZINC001406363382 889514131 /nfs/dbraw/zinc/51/41/31/889514131.db2.gz QVPOKSIMYKDFHO-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN CCn1nccc1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001406348285 889514283 /nfs/dbraw/zinc/51/42/83/889514283.db2.gz AIYPIENNNWRTAS-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001406359408 889514697 /nfs/dbraw/zinc/51/46/97/889514697.db2.gz SFNCXRCLJQLUDE-BDAKNGLRSA-N 0 3 284.360 -1.307 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)CS(C)(=O)=O ZINC001406338610 889514805 /nfs/dbraw/zinc/51/48/05/889514805.db2.gz LCAAYDJMPHDSLK-MRVPVSSYSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)CNC(=O)C1CC1 ZINC001406341183 889515161 /nfs/dbraw/zinc/51/51/61/889515161.db2.gz ZSRPVJDGLPBQHW-MWLCHTKSSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001406367173 889515185 /nfs/dbraw/zinc/51/51/85/889515185.db2.gz LSHCMVVQKRYLRA-GMTAPVOTSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CN1CCNC(=O)C1 ZINC001406385067 889516166 /nfs/dbraw/zinc/51/61/66/889516166.db2.gz VLNPAKMLBPRBKK-NXEZZACHSA-N 0 3 297.359 -2.599 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CN1CCCCC1=O ZINC001406373027 889516346 /nfs/dbraw/zinc/51/63/46/889516346.db2.gz HDYQMSRMRZQYIL-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN COc1cc(OC)nc(C(=O)N[C@H](C)CNCC(N)=O)n1 ZINC001406378381 889516542 /nfs/dbraw/zinc/51/65/42/889516542.db2.gz JSQGXACMIHTSFJ-SSDOTTSWSA-N 0 3 297.315 -1.313 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@@H]1CCCS1(=O)=O ZINC001406390787 889516866 /nfs/dbraw/zinc/51/68/66/889516866.db2.gz RUFCUUNMIUNUEO-BDAKNGLRSA-N 0 3 291.373 -1.467 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CCS(C)(=O)=O)C(N)=O ZINC001406378909 889517317 /nfs/dbraw/zinc/51/73/17/889517317.db2.gz JBLJLTRQUQZXOD-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)c1c[nH]c(=O)cn1 ZINC001406388086 889517641 /nfs/dbraw/zinc/51/76/41/889517641.db2.gz NKSGJHPZDQBKOF-RKDXNWHRSA-N 0 3 295.343 -1.046 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001406384527 889517712 /nfs/dbraw/zinc/51/77/12/889517712.db2.gz IQVZOKOXKQDTPF-NOZJJQNGSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCCCC1=O ZINC001406380023 889517900 /nfs/dbraw/zinc/51/79/00/889517900.db2.gz XGALCYHYEPXCHB-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001406388343 889518287 /nfs/dbraw/zinc/51/82/87/889518287.db2.gz URMYUTIZKYDDQZ-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccc(=O)n(C)c1 ZINC001406372327 889518629 /nfs/dbraw/zinc/51/86/29/889518629.db2.gz DWPDZRPKCAXBIP-MWLCHTKSSA-N 0 3 292.339 -1.018 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001406461136 889519423 /nfs/dbraw/zinc/51/94/23/889519423.db2.gz GFSCGBUBXCPPPP-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001406454844 889519449 /nfs/dbraw/zinc/51/94/49/889519449.db2.gz NCDHEOIFCPITNI-VHSXEESVSA-N 0 3 284.360 -1.116 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1c[nH]c(C(N)=O)c1 ZINC001406430709 889519643 /nfs/dbraw/zinc/51/96/43/889519643.db2.gz KQDJLYRGHTVTSW-SFYZADRCSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCNC(N)=O ZINC001406432026 889519778 /nfs/dbraw/zinc/51/97/78/889519778.db2.gz PSPFFQMVWPZPJS-SFYZADRCSA-N 0 3 271.321 -1.972 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)Cn1cncn1 ZINC001406430141 889519804 /nfs/dbraw/zinc/51/98/04/889519804.db2.gz KMWVYZXIBLZUEV-SNVBAGLBSA-N 0 3 294.359 -1.101 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)COC)C[C@@H]1O ZINC001406397471 889519858 /nfs/dbraw/zinc/51/98/58/889519858.db2.gz MTAKRFCKFSZMDS-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC1CC1 ZINC001406450537 889519951 /nfs/dbraw/zinc/51/99/51/889519951.db2.gz ZTDQIZSONRTFDP-DTWKUNHWSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001406431072 889520698 /nfs/dbraw/zinc/52/06/98/889520698.db2.gz NIYPCHRJXLROPU-BBBLOLIVSA-N 0 3 297.359 -1.488 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001406400324 889520817 /nfs/dbraw/zinc/52/08/17/889520817.db2.gz MNYRENWKFCCTAN-HLTSFMKQSA-N 0 3 270.333 -1.532 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1ccnnc1 ZINC001406400136 889520877 /nfs/dbraw/zinc/52/08/77/889520877.db2.gz ASWZHOBTQDGZFL-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnccn1 ZINC001406444022 889520928 /nfs/dbraw/zinc/52/09/28/889520928.db2.gz CPDSTLIJGCOVCD-QMMMGPOBSA-N 0 3 291.315 -1.194 20 0 CAADHN COCC(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001406453345 889521397 /nfs/dbraw/zinc/52/13/97/889521397.db2.gz RKOWJNWTPFYYTO-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN CCn1cnc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)c1 ZINC001406410422 889521522 /nfs/dbraw/zinc/52/15/22/889521522.db2.gz MVSIYAUVSRXMSQ-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)CCNC(N)=O ZINC001406427049 889521704 /nfs/dbraw/zinc/52/17/04/889521704.db2.gz BRYROUBELCARJH-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CS(=O)(=O)NC ZINC001406428099 889521889 /nfs/dbraw/zinc/52/18/89/889521889.db2.gz DQROJTQCOTUOHE-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)CN1CCCC1=O ZINC001406448415 889522046 /nfs/dbraw/zinc/52/20/46/889522046.db2.gz KKCCJIOLMZZCOJ-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CNC(=O)C1CC1 ZINC001406452371 889522091 /nfs/dbraw/zinc/52/20/91/889522091.db2.gz HJJFUFFHTCVDJL-DTWKUNHWSA-N 0 3 284.360 -1.259 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001406511453 889523757 /nfs/dbraw/zinc/52/37/57/889523757.db2.gz FIGBYYQCFYDVDV-QMMMGPOBSA-N 0 3 283.336 -1.604 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)C1CC1 ZINC001406531932 889523956 /nfs/dbraw/zinc/52/39/56/889523956.db2.gz MTMGSQQZJADLEE-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001406497289 889524024 /nfs/dbraw/zinc/52/40/24/889524024.db2.gz XSFFWMLNBBHBFL-DTWKUNHWSA-N 0 3 296.331 -2.435 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1cnnn1C ZINC001406473380 889524107 /nfs/dbraw/zinc/52/41/07/889524107.db2.gz YVSSYKZGKBSJPB-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001406513890 889524327 /nfs/dbraw/zinc/52/43/27/889524327.db2.gz DETVFKUZVATBOZ-YUMQZZPRSA-N 0 3 283.332 -1.032 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001406484534 889525345 /nfs/dbraw/zinc/52/53/45/889525345.db2.gz XIKLGFJWRRWUMC-YUMQZZPRSA-N 0 3 271.321 -2.102 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001406469021 889524359 /nfs/dbraw/zinc/52/43/59/889524359.db2.gz UMBRWXKCSMYPSS-QMMMGPOBSA-N 0 3 296.331 -1.748 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001406473370 889524393 /nfs/dbraw/zinc/52/43/93/889524393.db2.gz SXRYDAOGFMPOMP-DTWKUNHWSA-N 0 3 285.348 -1.712 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cncn1C ZINC001406496861 889524773 /nfs/dbraw/zinc/52/47/73/889524773.db2.gz LYLQGNJNTJPKDB-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CCCS(C)(=O)=O ZINC001406531909 889525332 /nfs/dbraw/zinc/52/53/32/889525332.db2.gz IWQTVOOSSFRKQZ-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CNCC(=O)N1CCC1 ZINC001406470113 889525542 /nfs/dbraw/zinc/52/55/42/889525542.db2.gz ITGPCVAHKFHSBO-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN Cc1cnc2nc(C(=O)N[C@@H](C)CNCC(N)=O)nn2c1 ZINC001406494529 889525629 /nfs/dbraw/zinc/52/56/29/889525629.db2.gz PLRZPVLJGITHPN-QMMMGPOBSA-N 0 3 291.315 -1.374 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001406479979 889525856 /nfs/dbraw/zinc/52/58/56/889525856.db2.gz KBBHBJRNGJBTJV-ZETCQYMHSA-N 0 3 277.346 -2.129 20 0 CAADHN CC(C)N1C(=O)CC[C@H]1C(=O)N[C@@H](C)CNCC(N)=O ZINC001406509644 889526157 /nfs/dbraw/zinc/52/61/57/889526157.db2.gz ANFJKIYUBTZDLO-UWVGGRQHSA-N 0 3 284.360 -1.035 20 0 CAADHN CC(C)CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001406527127 889526263 /nfs/dbraw/zinc/52/62/63/889526263.db2.gz HCZZTSNSPWRYFI-VHSXEESVSA-N 0 3 299.375 -1.466 20 0 CAADHN CCCN1C[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)CC1=O ZINC001406539257 889527911 /nfs/dbraw/zinc/52/79/11/889527911.db2.gz UKHWWMPNMIOQEA-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001406556606 889528302 /nfs/dbraw/zinc/52/83/02/889528302.db2.gz FRFIHQGIKKHANO-LPEHRKFASA-N 0 3 282.344 -1.410 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001406586304 889528571 /nfs/dbraw/zinc/52/85/71/889528571.db2.gz ORKFOWIPKLLDMF-GARJFASQSA-N 0 3 287.360 -1.291 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cnon1 ZINC001406541571 889529059 /nfs/dbraw/zinc/52/90/59/889529059.db2.gz GBDCTBUNEBXYNL-ZETCQYMHSA-N 0 3 298.303 -1.377 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)COCc1nncn1C ZINC001406542349 889529711 /nfs/dbraw/zinc/52/97/11/889529711.db2.gz PCFABRRVLOBCFE-VIFPVBQESA-N 0 3 298.347 -1.828 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCCC(N)=O ZINC001406573508 889529822 /nfs/dbraw/zinc/52/98/22/889529822.db2.gz RYBTXUXCQDWQEX-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001406553226 889530364 /nfs/dbraw/zinc/53/03/64/889530364.db2.gz LULPFACEEDKXPY-IVZWLZJFSA-N 0 3 299.375 -1.194 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001406586311 889530569 /nfs/dbraw/zinc/53/05/69/889530569.db2.gz ORKFOWIPKLLDMF-OUAUKWLOSA-N 0 3 287.360 -1.291 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)CCn1cnnn1 ZINC001406541212 889530737 /nfs/dbraw/zinc/53/07/37/889530737.db2.gz JZQSKJULSQFALU-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)CCNC(N)=O ZINC001406563605 889531548 /nfs/dbraw/zinc/53/15/48/889531548.db2.gz UGGZIVVXGPKWHE-VIFPVBQESA-N 0 3 287.364 -1.336 20 0 CAADHN Cc1nn(CC(=O)N[C@H](C)CN(C)CCO)c(=O)n1C ZINC001406697439 889533648 /nfs/dbraw/zinc/53/36/48/889533648.db2.gz QJAXLUAAIFIBQT-SECBINFHSA-N 0 3 285.348 -1.681 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CNC(=O)OC)C1CC1 ZINC001406745395 889534289 /nfs/dbraw/zinc/53/42/89/889534289.db2.gz GPYYIRBMUBGIAU-VIFPVBQESA-N 0 3 286.332 -1.427 20 0 CAADHN COCC(=O)N[C@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001406739302 889534860 /nfs/dbraw/zinc/53/48/60/889534860.db2.gz SBFCMTTTWJPGST-MRVPVSSYSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)CN(C)C[C@H](C)NC(=O)C1=NC(=O)N(C)C1 ZINC001406653482 889535098 /nfs/dbraw/zinc/53/50/98/889535098.db2.gz KWCDACWINUGEHM-QMMMGPOBSA-N 0 3 283.332 -1.078 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001406747652 889536996 /nfs/dbraw/zinc/53/69/96/889536996.db2.gz FDZSYYLOWOHPPI-PSASIEDQSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)CNC(=O)NC)C1CC1 ZINC001406750707 889537290 /nfs/dbraw/zinc/53/72/90/889537290.db2.gz AUEBICHWODVRCL-VIFPVBQESA-N 0 3 285.348 -1.854 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)C[C@H]1CCC(=O)NC1)C1CC1 ZINC001406769391 889537417 /nfs/dbraw/zinc/53/74/17/889537417.db2.gz ZXONZBFETZLFEV-KOLCDFICSA-N 0 3 296.371 -1.128 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001406780486 889537528 /nfs/dbraw/zinc/53/75/28/889537528.db2.gz DZRKCICPCOAYKE-QMMMGPOBSA-N 0 3 292.361 -2.495 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001406815038 889537572 /nfs/dbraw/zinc/53/75/72/889537572.db2.gz FXEUTMCFBKWZAP-NWDGAFQWSA-N 0 3 296.371 -1.033 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001406747653 889537998 /nfs/dbraw/zinc/53/79/98/889537998.db2.gz FDZSYYLOWOHPPI-SCZZXKLOSA-N 0 3 284.360 -1.129 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)CNC(C)=O)C1CC1 ZINC001406748017 889538207 /nfs/dbraw/zinc/53/82/07/889538207.db2.gz VTYHMFKBWSKQDR-NSHDSACASA-N 0 3 284.360 -1.257 20 0 CAADHN Cn1cncc1CC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001406784340 889538427 /nfs/dbraw/zinc/53/84/27/889538427.db2.gz OGUCSRQAKVMLGT-NSHDSACASA-N 0 3 279.344 -1.068 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CN1CCCNC1=O)C1CC1 ZINC001406757584 889539011 /nfs/dbraw/zinc/53/90/11/889539011.db2.gz IYNNZPKMFVEYST-SNVBAGLBSA-N 0 3 297.359 -1.629 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)CN1CCOCC1)C1CC1 ZINC001406772322 889539055 /nfs/dbraw/zinc/53/90/55/889539055.db2.gz HYSZXZIESOKTFC-NSHDSACASA-N 0 3 284.360 -1.712 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@H]1CCN1CC(C)C ZINC001406863365 889542470 /nfs/dbraw/zinc/54/24/70/889542470.db2.gz VNVARQOPBQYEIT-JTQLQIEISA-N 0 3 292.405 -1.113 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@H]2COC(=O)N2)CC1)C(N)=O ZINC001406924420 889544194 /nfs/dbraw/zinc/54/41/94/889544194.db2.gz TYCSCKRFTAZMQC-HTQZYQBOSA-N 0 3 284.316 -1.403 20 0 CAADHN C[C@H](NC1(CNC(=O)[C@H]2CN(C)CCO2)CC1)C(N)=O ZINC001406914422 889544874 /nfs/dbraw/zinc/54/48/74/889544874.db2.gz VQEQETKPCRWFQH-VHSXEESVSA-N 0 3 284.360 -1.571 20 0 CAADHN O=C(Cn1cnnn1)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001406905931 889547017 /nfs/dbraw/zinc/54/70/17/889547017.db2.gz LCXMRLFDHAAIGV-VIFPVBQESA-N 0 3 293.331 -1.810 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H]1CN[C@H](C)C(N)=O ZINC001407094560 889551875 /nfs/dbraw/zinc/55/18/75/889551875.db2.gz PMYNGRDEBBMBNN-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN Cn1nc(C(=O)N2CCC[C@@H]2CNCC(N)=O)ccc1=O ZINC001407113465 889552011 /nfs/dbraw/zinc/55/20/11/889552011.db2.gz PFIIQROAXFYECL-SECBINFHSA-N 0 3 293.327 -1.540 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H](COC)OC ZINC001407112480 889552241 /nfs/dbraw/zinc/55/22/41/889552241.db2.gz DAZKSTJGFAOKAF-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001407099273 889552266 /nfs/dbraw/zinc/55/22/66/889552266.db2.gz ZCNHQKPDLLLIOQ-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN CN1CCO[C@H](C(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001407089792 889552320 /nfs/dbraw/zinc/55/23/20/889552320.db2.gz BRBWOVRHGNSEBH-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)CNC(C)=O ZINC001407096090 889552336 /nfs/dbraw/zinc/55/23/36/889552336.db2.gz RCSGIQYZWLULKP-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H](COC)OC ZINC001407112460 889552385 /nfs/dbraw/zinc/55/23/85/889552385.db2.gz DAZKSTJGFAOKAF-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001407112042 889552498 /nfs/dbraw/zinc/55/24/98/889552498.db2.gz SRIHAHXDKDFEFM-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H]1CN[C@@H](C)C(N)=O ZINC001407094569 889552556 /nfs/dbraw/zinc/55/25/56/889552556.db2.gz PMYNGRDEBBMBNN-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H](COC)OC ZINC001407112431 889552709 /nfs/dbraw/zinc/55/27/09/889552709.db2.gz DAZKSTJGFAOKAF-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)Cn1cncn1)C(N)=O ZINC001407110017 889552972 /nfs/dbraw/zinc/55/29/72/889552972.db2.gz KLJDYSLWVCRUTG-NXEZZACHSA-N 0 3 280.332 -1.268 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CN1CCOCC1 ZINC001407101753 889553157 /nfs/dbraw/zinc/55/31/57/889553157.db2.gz ZYPHWXUAAIERMA-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)Cn1cncn1)C(N)=O ZINC001407110036 889553392 /nfs/dbraw/zinc/55/33/92/889553392.db2.gz KLJDYSLWVCRUTG-VHSXEESVSA-N 0 3 280.332 -1.268 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001407099557 889553522 /nfs/dbraw/zinc/55/35/22/889553522.db2.gz ZRYZBQMVCBDCOY-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)Cn1cncn1)C(N)=O ZINC001407110047 889553684 /nfs/dbraw/zinc/55/36/84/889553684.db2.gz KLJDYSLWVCRUTG-ZJUUUORDSA-N 0 3 280.332 -1.268 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CCC(=O)N1 ZINC001407108344 889553744 /nfs/dbraw/zinc/55/37/44/889553744.db2.gz FZEVWCYRPXLHSC-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1CNCC(=O)N1CCC1 ZINC001407089070 889553943 /nfs/dbraw/zinc/55/39/43/889553943.db2.gz HODYPARDQFKTRJ-LBPRGKRZSA-N 0 3 296.371 -1.065 20 0 CAADHN COC[C@@H](O)CN1CC[C@](C)(NC(=O)Cn2cncn2)C1 ZINC001407213712 889555476 /nfs/dbraw/zinc/55/54/76/889555476.db2.gz ZRARZJYVEIERJE-AAEUAGOBSA-N 0 3 297.359 -1.134 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cn2ncnn2)CCOCC1 ZINC001407306188 889557232 /nfs/dbraw/zinc/55/72/32/889557232.db2.gz BUGJVOFBUPMKGC-UHFFFAOYSA-N 0 3 297.319 -2.587 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001407125675 889557244 /nfs/dbraw/zinc/55/72/44/889557244.db2.gz YDTNEGNMWVLLID-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)NCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001407340074 889558764 /nfs/dbraw/zinc/55/87/64/889558764.db2.gz BBPRNPSJIDOIAE-LLVKDONJSA-N 0 3 274.321 -2.539 20 0 CAADHN Cc1c(C(=O)NC[C@@]2(O)CCN(CCO)C2)cnn1C ZINC001407331838 889558822 /nfs/dbraw/zinc/55/88/22/889558822.db2.gz NEKMBKYYBYSDQL-ZDUSSCGKSA-N 0 3 282.344 -1.113 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001407349832 889559132 /nfs/dbraw/zinc/55/91/32/889559132.db2.gz ISKRAVBQEFELSU-RNCFNFMXSA-N 0 3 295.343 -1.621 20 0 CAADHN Cc1ncc(C(=O)NC[C@@]2(O)CCN(CCO)C2)n1C ZINC001407352570 889560840 /nfs/dbraw/zinc/56/08/40/889560840.db2.gz AWQXWNCLBMYDES-ZDUSSCGKSA-N 0 3 282.344 -1.113 20 0 CAADHN NC(=O)CN1CC[C@@](O)(CNC(=O)CCc2cnn[nH]2)C1 ZINC001407353779 889561044 /nfs/dbraw/zinc/56/10/44/889561044.db2.gz OXIAMUQUYUOCHJ-GFCCVEGCSA-N 0 3 296.331 -2.224 20 0 CAADHN CCn1nncc1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001407342522 889561104 /nfs/dbraw/zinc/56/11/04/889561104.db2.gz FGAGFZVIBFDALB-GFCCVEGCSA-N 0 3 283.332 -1.543 20 0 CAADHN C[C@H](O)CN1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001407352672 889562091 /nfs/dbraw/zinc/56/20/91/889562091.db2.gz PKLXYZHFRYQDRQ-JOYOIKCWSA-N 0 3 283.332 -1.638 20 0 CAADHN Cc1ncc(C(=O)NC[C@]2(O)CCN(CCO)C2)n1C ZINC001407352564 889562774 /nfs/dbraw/zinc/56/27/74/889562774.db2.gz AWQXWNCLBMYDES-CYBMUJFWSA-N 0 3 282.344 -1.113 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)CC1=O ZINC001407354019 889562909 /nfs/dbraw/zinc/56/29/09/889562909.db2.gz WMAJUDFSYDAHGG-GXFFZTMASA-N 0 3 285.344 -1.990 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407368403 889564231 /nfs/dbraw/zinc/56/42/31/889564231.db2.gz OBWFSAPBXIQRKI-NSHDSACASA-N 0 3 284.320 -1.977 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)CC1=O ZINC001407383850 889565469 /nfs/dbraw/zinc/56/54/69/889565469.db2.gz PZBKKJNYEDFQEK-BXUZGUMPSA-N 0 3 299.371 -1.600 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001407368361 889565494 /nfs/dbraw/zinc/56/54/94/889565494.db2.gz OBWFSAPBXIQRKI-LLVKDONJSA-N 0 3 284.320 -1.977 20 0 CAADHN O=C(CCc1cnccn1)NC[C@]1(O)CCN(CCO)C1 ZINC001407379774 889565868 /nfs/dbraw/zinc/56/58/68/889565868.db2.gz YFRHMAXSPYWUMO-CQSZACIVSA-N 0 3 294.355 -1.046 20 0 CAADHN COC[C@H](OC)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001407372834 889565969 /nfs/dbraw/zinc/56/59/69/889565969.db2.gz XZJGKKLZYBWVPN-CMPLNLGQSA-N 0 3 276.333 -1.807 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001407368035 889566631 /nfs/dbraw/zinc/56/66/31/889566631.db2.gz QVZMIBQYOHLERZ-CABZTGNLSA-N 0 3 286.332 -2.133 20 0 CAADHN O=C(Cc1nnc[nH]1)NC[C@@]1(O)CCN(CCF)C1 ZINC001407367175 889567026 /nfs/dbraw/zinc/56/70/26/889567026.db2.gz JVQRVZHWNZCAJV-NSHDSACASA-N 0 3 271.296 -1.130 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)NC1=O ZINC001407384363 889566957 /nfs/dbraw/zinc/56/69/57/889566957.db2.gz PBDHZSROJKTVSS-SKDRFNHKSA-N 0 3 286.332 -2.445 20 0 CAADHN CN1CC[C@@H](CC(=O)NC[C@@]2(O)CCN(CCO)C2)C1=O ZINC001407393806 889571121 /nfs/dbraw/zinc/57/11/21/889571121.db2.gz VGUJUZKHFITNIZ-FZMZJTMJSA-N 0 3 299.371 -1.600 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001407493921 889579677 /nfs/dbraw/zinc/57/96/77/889579677.db2.gz BZYYENZJFGEHBB-JTQLQIEISA-N 0 3 299.375 -1.288 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001407493926 889580666 /nfs/dbraw/zinc/58/06/66/889580666.db2.gz BZYYENZJFGEHBB-SNVBAGLBSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cccnc1)C(N)=O ZINC001407649562 889582084 /nfs/dbraw/zinc/58/20/84/889582084.db2.gz GINOWZRHNYQWEH-JTQLQIEISA-N 0 3 280.328 -1.021 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CNC(C)=O)C[C@@H]2C1 ZINC001407555418 889581805 /nfs/dbraw/zinc/58/18/05/889581805.db2.gz VSFTZXJXTDOHIZ-JLLWLGSASA-N 0 3 296.371 -1.353 20 0 CAADHN CCN1CCC[C@@](CO)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407633418 889582581 /nfs/dbraw/zinc/58/25/81/889582581.db2.gz BYOGFVYPMKHLPH-CYBMUJFWSA-N 0 3 297.359 -1.455 20 0 CAADHN O=C(Cn1cncn1)N[C@]1(CO)CCCN(CCCO)C1 ZINC001407619970 889582701 /nfs/dbraw/zinc/58/27/01/889582701.db2.gz BNDLMZMLWZBZNO-CYBMUJFWSA-N 0 3 297.359 -1.396 20 0 CAADHN CCN1CCC[C@](CO)(NC(=O)Cn2ncn(C)c2=O)C1 ZINC001407633437 889584171 /nfs/dbraw/zinc/58/41/71/889584171.db2.gz BYOGFVYPMKHLPH-ZDUSSCGKSA-N 0 3 297.359 -1.455 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001407654046 889584240 /nfs/dbraw/zinc/58/42/40/889584240.db2.gz HNDYNGLLLUPXIS-ZNSHCXBVSA-N 0 3 285.344 -1.837 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)CNC(C)=O ZINC001407653536 889584317 /nfs/dbraw/zinc/58/43/17/889584317.db2.gz LXBHOYXULZUGMA-VIFPVBQESA-N 0 3 288.348 -2.333 20 0 CAADHN COCCC(=O)N(CCO)CCN[C@H]1CCN(C)C1=O ZINC001407658615 889585330 /nfs/dbraw/zinc/58/53/30/889585330.db2.gz QLDMPRKBAFULFP-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN CO[C@@H](C)C(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001407759334 889586870 /nfs/dbraw/zinc/58/68/70/889586870.db2.gz GWELDLBOVPEIIK-QMMMGPOBSA-N 0 3 286.332 -1.155 20 0 CAADHN Cn1ccc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)n1 ZINC001407682199 889587134 /nfs/dbraw/zinc/58/71/34/889587134.db2.gz UGCCKXLPMNWDND-SNVBAGLBSA-N 0 3 295.343 -1.667 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)ncn1 ZINC001407696837 889587978 /nfs/dbraw/zinc/58/79/78/889587978.db2.gz QBRNSGIEHUDWIP-SNVBAGLBSA-N 0 3 295.343 -1.317 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)Cn1ccnc1 ZINC001407671342 889588030 /nfs/dbraw/zinc/58/80/30/889588030.db2.gz JCBGITRGDJTOAN-LLVKDONJSA-N 0 3 297.359 -1.572 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@]12C[C@H]1COC2 ZINC001407688471 889588084 /nfs/dbraw/zinc/58/80/84/889588084.db2.gz IXQRDLCAGXRSDK-MJVIPROJSA-N 0 3 299.371 -1.432 20 0 CAADHN C[C@@H]([NH2+]CCN(CCO)C(=O)c1nc[n-]n1)C(=O)N(C)C ZINC001407670895 889588115 /nfs/dbraw/zinc/58/81/15/889588115.db2.gz ZPGBJKMHAPMQEB-SECBINFHSA-N 0 3 298.347 -1.695 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1nc[nH]n1)C(=O)N(C)C ZINC001407670895 889588125 /nfs/dbraw/zinc/58/81/25/889588125.db2.gz ZPGBJKMHAPMQEB-SECBINFHSA-N 0 3 298.347 -1.695 20 0 CAADHN CN(C)C1(C(=O)NC[C@@H]2COCCN2CC(N)=O)CCC1 ZINC001407742637 889588408 /nfs/dbraw/zinc/58/84/08/889588408.db2.gz PGIMFYPJVUVULW-LLVKDONJSA-N 0 3 298.387 -1.227 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)OC)CCO1 ZINC001407841780 889590263 /nfs/dbraw/zinc/59/02/63/889590263.db2.gz WLEGFNBAOVFNJD-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H]1CN(C(=O)C2CCC2)CCO1 ZINC001407831894 889590315 /nfs/dbraw/zinc/59/03/15/889590315.db2.gz PGDOIBBUSHXFQX-SNVBAGLBSA-N 0 3 298.343 -1.202 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)OC)CCO1 ZINC001407841782 889590328 /nfs/dbraw/zinc/59/03/28/889590328.db2.gz WLEGFNBAOVFNJD-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)C2=COCCO2)CCO1)C(N)=O ZINC001407827158 889590376 /nfs/dbraw/zinc/59/03/76/889590376.db2.gz KWTVDPTVOOARNZ-NXEZZACHSA-N 0 3 299.327 -1.435 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001407852820 889590640 /nfs/dbraw/zinc/59/06/40/889590640.db2.gz MCKYHQJFCBUOFV-QMMMGPOBSA-N 0 3 295.299 -2.314 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001407787372 889590920 /nfs/dbraw/zinc/59/09/20/889590920.db2.gz VCVMPTCMWAYPLD-LLVKDONJSA-N 0 3 298.387 -1.179 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@]2(C)CCOC2)CCO1 ZINC001407855038 889590942 /nfs/dbraw/zinc/59/09/42/889590942.db2.gz CFAKRGCKSRNGJQ-BXUZGUMPSA-N 0 3 299.371 -1.024 20 0 CAADHN Cc1ocnc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001407843602 889590972 /nfs/dbraw/zinc/59/09/72/889590972.db2.gz ZACAFSBEKICCBK-SECBINFHSA-N 0 3 282.300 -1.101 20 0 CAADHN COCC(=O)N1CCO[C@@H](CNCC(=O)N(C)C)C1 ZINC001407838863 889591659 /nfs/dbraw/zinc/59/16/59/889591659.db2.gz XKHNAWWJGZVTGX-JTQLQIEISA-N 0 3 273.333 -1.462 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@]2(C)CCOC2)CCO1 ZINC001407855118 889591833 /nfs/dbraw/zinc/59/18/33/889591833.db2.gz CFAKRGCKSRNGJQ-SMDDNHRTSA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)CCCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001407856750 889591954 /nfs/dbraw/zinc/59/19/54/889591954.db2.gz SLJOKSGIZUQTMY-SECBINFHSA-N 0 3 286.332 -2.056 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cnsn2)CCO1)C(N)=O ZINC001407829446 889591966 /nfs/dbraw/zinc/59/19/66/889591966.db2.gz ILMIAQCQOURSFD-JGVFFNPUSA-N 0 3 299.356 -1.158 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CN(C)CCO2)CCC1 ZINC001407783842 889592089 /nfs/dbraw/zinc/59/20/89/889592089.db2.gz RJNAXBZFSLUHRS-NSHDSACASA-N 0 3 298.387 -1.309 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)Cn2ccnc2)CCO1 ZINC001407845119 889592109 /nfs/dbraw/zinc/59/21/09/889592109.db2.gz CUNBRVFHMHXRTR-NSHDSACASA-N 0 3 295.343 -1.554 20 0 CAADHN Cc1nonc1C(=O)N1CCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001407845261 889592213 /nfs/dbraw/zinc/59/22/13/889592213.db2.gz DMFRRCFZGVYERS-RKDXNWHRSA-N 0 3 297.315 -1.318 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C)OC)CCO1 ZINC001407841779 889592227 /nfs/dbraw/zinc/59/22/27/889592227.db2.gz WLEGFNBAOVFNJD-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN Cc1cc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)ncn1 ZINC001407826871 889592284 /nfs/dbraw/zinc/59/22/84/889592284.db2.gz AHCYZKWMDDPAFJ-JTQLQIEISA-N 0 3 293.327 -1.299 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C[C@H]2COC(=O)C2)CCO1 ZINC001407836472 889592409 /nfs/dbraw/zinc/59/24/09/889592409.db2.gz IGHZMXITGROFSL-NXEZZACHSA-N 0 3 299.327 -1.758 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)N1CCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001407856883 889592446 /nfs/dbraw/zinc/59/24/46/889592446.db2.gz QINCFCXDWZNQNR-GUBZILKMSA-N 0 3 298.343 -1.346 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)CCO1 ZINC001407852802 889592507 /nfs/dbraw/zinc/59/25/07/889592507.db2.gz MCKYHQJFCBUOFV-MRVPVSSYSA-N 0 3 295.299 -2.314 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)CCO1 ZINC001407828701 889592706 /nfs/dbraw/zinc/59/27/06/889592706.db2.gz BEDORBDBBIVFLS-HTQZYQBOSA-N 0 3 286.288 -2.603 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCC1(NCC(N)=O)CCC1 ZINC001407787377 889592736 /nfs/dbraw/zinc/59/27/36/889592736.db2.gz VCVMPTCMWAYPLD-NSHDSACASA-N 0 3 298.387 -1.179 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1 ZINC001407863683 889594336 /nfs/dbraw/zinc/59/43/36/889594336.db2.gz WSLBPLLSCDETBJ-ZETCQYMHSA-N 0 3 285.279 -1.535 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)Cn1cnnn1 ZINC001407883882 889594381 /nfs/dbraw/zinc/59/43/81/889594381.db2.gz VEMGWBVGQZYXRE-SNVBAGLBSA-N 0 3 297.363 -1.283 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2n[nH]cc2C)CCO1 ZINC001407873800 889594451 /nfs/dbraw/zinc/59/44/51/889594451.db2.gz MJJPKOPIEWINSA-JTQLQIEISA-N 0 3 295.343 -1.105 20 0 CAADHN CNC(=O)NCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001407861142 889594570 /nfs/dbraw/zinc/59/45/70/889594570.db2.gz FOJUMVMRJAZFBC-QMMMGPOBSA-N 0 3 287.320 -2.782 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)c1nnn(C)n1 ZINC001407914466 889594644 /nfs/dbraw/zinc/59/46/44/889594644.db2.gz CIVMBEQYQXHBHD-SECBINFHSA-N 0 3 297.363 -1.132 20 0 CAADHN CNC(=O)NCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001407861132 889595079 /nfs/dbraw/zinc/59/50/79/889595079.db2.gz FOJUMVMRJAZFBC-MRVPVSSYSA-N 0 3 287.320 -2.782 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2n[nH]cc2C)CCO1 ZINC001407873803 889595097 /nfs/dbraw/zinc/59/50/97/889595097.db2.gz MJJPKOPIEWINSA-SNVBAGLBSA-N 0 3 295.343 -1.105 20 0 CAADHN CC[C@@H](C(N)=O)N(C)CCCN(C)C(=O)Cn1cnnn1 ZINC001407883878 889595337 /nfs/dbraw/zinc/59/53/37/889595337.db2.gz VEMGWBVGQZYXRE-JTQLQIEISA-N 0 3 297.363 -1.283 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cnco2)CCO1)C(N)=O ZINC001407871708 889595481 /nfs/dbraw/zinc/59/54/81/889595481.db2.gz WYTHDKSRMMLEIZ-DTWKUNHWSA-N 0 3 282.300 -1.021 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001407876995 889595603 /nfs/dbraw/zinc/59/56/03/889595603.db2.gz UAJGFIKDEVZYKK-JTQLQIEISA-N 0 3 296.331 -2.159 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)CCn2cnnn2)CCO1 ZINC001407882181 889595961 /nfs/dbraw/zinc/59/59/61/889595961.db2.gz YMMNHNCPQHOURB-VIFPVBQESA-N 0 3 297.319 -2.635 20 0 CAADHN NC(=O)CN[C@]1(CO)CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001408010295 889597520 /nfs/dbraw/zinc/59/75/20/889597520.db2.gz GSRWDCHYTOLZPY-CYBMUJFWSA-N 0 3 295.343 -1.619 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@]23C[C@H]2COC3)CCOCC1 ZINC001408030480 889599508 /nfs/dbraw/zinc/59/95/08/889599508.db2.gz GESAWIXZZZRGOQ-HZMBPMFUSA-N 0 3 297.355 -1.237 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC001408088319 889601086 /nfs/dbraw/zinc/60/10/86/889601086.db2.gz DLPKVYAVDGGPRO-SCZZXKLOSA-N 0 3 280.332 -1.389 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1C ZINC001408092573 889601147 /nfs/dbraw/zinc/60/11/47/889601147.db2.gz IOCOJGZDWZXUBZ-VHSXEESVSA-N 0 3 295.347 -1.754 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CCn2cnnn2)C[C@@H]1C ZINC001408092571 889602024 /nfs/dbraw/zinc/60/20/24/889602024.db2.gz IOCOJGZDWZXUBZ-UWVGGRQHSA-N 0 3 295.347 -1.754 20 0 CAADHN CNC(=O)CNCC1(O)CCN(C(=O)c2cn[nH]c2)CC1 ZINC001408130769 889602100 /nfs/dbraw/zinc/60/21/00/889602100.db2.gz MAHPKQOVGRVCSD-UHFFFAOYSA-N 0 3 295.343 -1.288 20 0 CAADHN CO[C@@H](C)C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001408145145 889604769 /nfs/dbraw/zinc/60/47/69/889604769.db2.gz NYTUIZMOPRKZOX-VIFPVBQESA-N 0 3 273.333 -1.550 20 0 CAADHN Cn1nncc1C(=O)NC1(CO)CCN(CCCO)CC1 ZINC001408270299 889607196 /nfs/dbraw/zinc/60/71/96/889607196.db2.gz YIHFZEZAHQPLHB-UHFFFAOYSA-N 0 3 297.359 -1.246 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NC1(CO)CCN(CCO)CC1 ZINC001408281784 889607446 /nfs/dbraw/zinc/60/74/46/889607446.db2.gz VVPXGUWYYNKUMK-LLVKDONJSA-N 0 3 299.371 -1.410 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](C)NC(=O)Cn1cnnn1 ZINC001408255116 889607537 /nfs/dbraw/zinc/60/75/37/889607537.db2.gz NXJHDEMVDCSGSO-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)Cn2ncnn2)CC1 ZINC001408265795 889607692 /nfs/dbraw/zinc/60/76/92/889607692.db2.gz DSHVOPVTHKQPLJ-JTQLQIEISA-N 0 3 298.347 -2.003 20 0 CAADHN Cn1cnc(C(=O)N2CCCC[C@H]2CNCC(N)=O)n1 ZINC001408299004 889607772 /nfs/dbraw/zinc/60/77/72/889607772.db2.gz QYZGAWOWBWBJFF-VIFPVBQESA-N 0 3 280.332 -1.115 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCC[C@@H]1CN(C)CCO ZINC001408343405 889607833 /nfs/dbraw/zinc/60/78/33/889607833.db2.gz RBQGMCPZRBLIKT-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN CC[C@@H](C(=O)NCCN(C)C(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001408694725 889620295 /nfs/dbraw/zinc/62/02/95/889620295.db2.gz YWQKCUAGXMZJDB-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN CC[C@@H](C(=O)NCCN(C)C(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001408694726 889620926 /nfs/dbraw/zinc/62/09/26/889620926.db2.gz YWQKCUAGXMZJDB-ZJUUUORDSA-N 0 3 299.375 -1.417 20 0 CAADHN CC(=O)N(C)CC(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001409029804 889623176 /nfs/dbraw/zinc/62/31/76/889623176.db2.gz NCPLQWSFGSGZMH-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001409026140 889624624 /nfs/dbraw/zinc/62/46/24/889624624.db2.gz LCVJWKHIXVRKIF-SNVBAGLBSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001409025872 889624750 /nfs/dbraw/zinc/62/47/50/889624750.db2.gz CGIFIMXOCLMHRA-BXKDBHETSA-N 0 3 296.371 -1.068 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)[C@H]2COC(=O)N2)C1)N(C)C ZINC001409070333 889626131 /nfs/dbraw/zinc/62/61/31/889626131.db2.gz HJVMTNRGFXHCCR-NXEZZACHSA-N 0 3 298.343 -1.238 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)CCNC(N)=O)C1)N(C)C ZINC001409083305 889627821 /nfs/dbraw/zinc/62/78/21/889627821.db2.gz XKSZFYIQPZBTHX-JTQLQIEISA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](NC(=O)CN1CCOCC1=O)[C@H](C)NCC(N)=O ZINC001409353849 889632659 /nfs/dbraw/zinc/63/26/59/889632659.db2.gz ICHXMHJVILKMTG-DTWKUNHWSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cccn2nnnc12 ZINC001409369778 889632933 /nfs/dbraw/zinc/63/29/33/889632933.db2.gz PGXFVEUTCXGAPR-YUMQZZPRSA-N 0 3 291.315 -1.294 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CNC(C)=O ZINC001409313700 889632987 /nfs/dbraw/zinc/63/29/87/889632987.db2.gz KRGUDYDWAJYFCZ-IUCAKERBSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](NC(=O)c1cccn2nnnc12)[C@H](C)NCC(N)=O ZINC001409369745 889633542 /nfs/dbraw/zinc/63/35/42/889633542.db2.gz PGXFVEUTCXGAPR-JGVFFNPUSA-N 0 3 291.315 -1.294 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCn1cnnn1 ZINC001409408266 889635900 /nfs/dbraw/zinc/63/59/00/889635900.db2.gz PUGNKRBEEDXTCA-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001409447444 889636395 /nfs/dbraw/zinc/63/63/95/889636395.db2.gz DCMFXPKODTXTKC-SFYZADRCSA-N 0 3 279.362 -1.611 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001409447409 889637058 /nfs/dbraw/zinc/63/70/58/889637058.db2.gz DCMFXPKODTXTKC-HTQZYQBOSA-N 0 3 279.362 -1.611 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001409447438 889638284 /nfs/dbraw/zinc/63/82/84/889638284.db2.gz DCMFXPKODTXTKC-JGVFFNPUSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NC(N)=O)N(C)CCn1cncn1 ZINC001409540229 889638765 /nfs/dbraw/zinc/63/87/65/889638765.db2.gz JGDCAYNRSLJFDX-ZJUUUORDSA-N 0 3 297.363 -1.229 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)COCc1nncn1C ZINC001409422119 889639205 /nfs/dbraw/zinc/63/92/05/889639205.db2.gz GZVACHZAEPILHP-BDAKNGLRSA-N 0 3 298.347 -1.700 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1)N(C)CC(=O)NC(N)=O ZINC001409674989 889642534 /nfs/dbraw/zinc/64/25/34/889642534.db2.gz HCTDTMPREMUQAS-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2(CCO)CN(CCO)C2)C1 ZINC001409744638 889646665 /nfs/dbraw/zinc/64/66/65/889646665.db2.gz LXTCEBNVMPIVOK-GFCCVEGCSA-N 0 3 285.388 -1.127 20 0 CAADHN C[C@H](O)CN1CC([C@H](C)NC(=O)CN2CCOCC2=O)C1 ZINC001409899373 889649142 /nfs/dbraw/zinc/64/91/42/889649142.db2.gz CQLVDOGCUVKHCO-QWRGUYRKSA-N 0 3 299.371 -1.338 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001410140175 889664643 /nfs/dbraw/zinc/66/46/43/889664643.db2.gz GCVLQRVUNHNLGD-WPRPVWTQSA-N 0 3 281.316 -1.286 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC001410150146 889664746 /nfs/dbraw/zinc/66/47/46/889664746.db2.gz FDPHMAHWBGSAGF-ZTVLKNOQSA-N 0 3 297.355 -1.430 20 0 CAADHN C[C@H](NCCF)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001410146370 889665576 /nfs/dbraw/zinc/66/55/76/889665576.db2.gz IOFWNANLMAPXMS-UWVGGRQHSA-N 0 3 286.311 -1.152 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@H](C)NC(N)=O)CC1 ZINC001410215153 889667570 /nfs/dbraw/zinc/66/75/70/889667570.db2.gz GMAOVTVDSGFFRN-DTWKUNHWSA-N 0 3 299.375 -1.160 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC(N(C)[C@@H](C)C(N)=O)CC1 ZINC001410215161 889668815 /nfs/dbraw/zinc/66/88/15/889668815.db2.gz GMAOVTVDSGFFRN-IUCAKERBSA-N 0 3 299.375 -1.160 20 0 CAADHN CCN(CC)CC(=O)N[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001410207513 889668870 /nfs/dbraw/zinc/66/88/70/889668870.db2.gz SDKMQLIMRHAVHS-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CN(C(=O)c1cn(C)nn1)[C@@H](CNCC(N)=O)C1CC1 ZINC001410297405 889670389 /nfs/dbraw/zinc/67/03/89/889670389.db2.gz CJXUZWWQQDZRNH-JTQLQIEISA-N 0 3 280.332 -1.259 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@H](CNCC(N)=O)C2CC2)C1 ZINC001410310745 889670608 /nfs/dbraw/zinc/67/06/08/889670608.db2.gz OVALLHQDGRZADK-GFCCVEGCSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@H](CN(C)C(=O)Cc1cnoc1)NCC(=O)NC(N)=O ZINC001410421299 889673178 /nfs/dbraw/zinc/67/31/78/889673178.db2.gz DMCLRHBZOXYTAE-MRVPVSSYSA-N 0 3 297.315 -1.152 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)NCC(N)=O ZINC001410424817 889673277 /nfs/dbraw/zinc/67/32/77/889673277.db2.gz OFLFVMAWAJYQFO-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O ZINC001410395308 889673830 /nfs/dbraw/zinc/67/38/30/889673830.db2.gz NYTQEUQTQZHIQG-HTQZYQBOSA-N 0 3 273.337 -1.774 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001410395503 889673964 /nfs/dbraw/zinc/67/39/64/889673964.db2.gz YRCOMRLDUSGPMY-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)NCc1n[nH]c(C)n1 ZINC001410400143 889674081 /nfs/dbraw/zinc/67/40/81/889674081.db2.gz SSWJZWLHBOQKHE-MRVPVSSYSA-N 0 3 297.363 -1.021 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1nnn(C)c1C ZINC001410357550 889674120 /nfs/dbraw/zinc/67/41/20/889674120.db2.gz MWPDBUQXWQSGJV-MRVPVSSYSA-N 0 3 282.348 -1.080 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001410395507 889674522 /nfs/dbraw/zinc/67/45/22/889674522.db2.gz YRCOMRLDUSGPMY-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncnn1)NCC(=O)NC1CC1 ZINC001410389884 889675014 /nfs/dbraw/zinc/67/50/14/889675014.db2.gz OVTRHHSOUOVWIP-VIFPVBQESA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CN(C)C(=O)c1ncn(C)n1)NCC(=O)N(C)C ZINC001410388503 889675051 /nfs/dbraw/zinc/67/50/51/889675051.db2.gz TYIYZNJBWAGLIC-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O)[nH]n1 ZINC001410354195 889675164 /nfs/dbraw/zinc/67/51/64/889675164.db2.gz XTFWWRHWDLZATB-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O)n[nH]1 ZINC001410354195 889675168 /nfs/dbraw/zinc/67/51/68/889675168.db2.gz XTFWWRHWDLZATB-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncnn1)NCC(=O)NC1CC1 ZINC001410389877 889675188 /nfs/dbraw/zinc/67/51/88/889675188.db2.gz OVTRHHSOUOVWIP-SECBINFHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H](C)NC(N)=O ZINC001410363024 889675471 /nfs/dbraw/zinc/67/54/71/889675471.db2.gz DNQZGRNQQPBNFT-SFYZADRCSA-N 0 3 273.337 -1.774 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)NC1CC1 ZINC001410442330 889676735 /nfs/dbraw/zinc/67/67/35/889676735.db2.gz SQIJFOUPGAOEOL-GDPRMGEGSA-N 0 3 296.371 -1.177 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001410489251 889676882 /nfs/dbraw/zinc/67/68/82/889676882.db2.gz AHXHSSVGTZJAEH-SECBINFHSA-N 0 3 293.389 -1.269 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001410613928 889690637 /nfs/dbraw/zinc/69/06/37/889690637.db2.gz DWBQHPSDIPMPND-JTQLQIEISA-N 0 3 293.331 -1.310 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001410613948 889690744 /nfs/dbraw/zinc/69/07/44/889690744.db2.gz DWBQHPSDIPMPND-SNVBAGLBSA-N 0 3 293.331 -1.310 20 0 CAADHN O=C(NC[C@@H](CO)NCCO)[C@@H]1CCCCS1(=O)=O ZINC001410647706 889695763 /nfs/dbraw/zinc/69/57/63/889695763.db2.gz FDGPRWZKQUDOND-UWVGGRQHSA-N 0 3 294.373 -1.987 20 0 CAADHN CN1CCCC[C@H]1C(=O)NC[C@H](CO)NCC(N)=O ZINC001410686973 889698442 /nfs/dbraw/zinc/69/84/42/889698442.db2.gz WIVVOXCOGAQIED-ZJUUUORDSA-N 0 3 272.349 -1.977 20 0 CAADHN C[C@@H](O)CN[C@@H](CO)CNC(=O)CCS(C)(=O)=O ZINC001410663618 889698697 /nfs/dbraw/zinc/69/86/97/889698697.db2.gz BLRZZLDRZKYNPR-RKDXNWHRSA-N 0 3 282.362 -2.131 20 0 CAADHN Cc1ncc(CN[C@@H](CO)CNC(=O)c2cn[nH]n2)cn1 ZINC001410687234 889698958 /nfs/dbraw/zinc/69/89/58/889698958.db2.gz LWBRUPQXUKEAPD-SNVBAGLBSA-N 0 3 291.315 -1.216 20 0 CAADHN CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)NCC(N)=O ZINC001410686970 889699097 /nfs/dbraw/zinc/69/90/97/889699097.db2.gz WIVVOXCOGAQIED-VHSXEESVSA-N 0 3 272.349 -1.977 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001410709368 889701238 /nfs/dbraw/zinc/70/12/38/889701238.db2.gz KODQVTHNKGFXIC-WYUUTHIRSA-N 0 3 295.343 -1.763 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001410738042 889709524 /nfs/dbraw/zinc/70/95/24/889709524.db2.gz ZZMKGOSAQZYERD-SCZZXKLOSA-N 0 3 298.347 -2.062 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001410738042 889709539 /nfs/dbraw/zinc/70/95/39/889709539.db2.gz ZZMKGOSAQZYERD-SCZZXKLOSA-N 0 3 298.347 -2.062 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001410738041 889710420 /nfs/dbraw/zinc/71/04/20/889710420.db2.gz ZZMKGOSAQZYERD-PSASIEDQSA-N 0 3 298.347 -2.062 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001410738041 889710424 /nfs/dbraw/zinc/71/04/24/889710424.db2.gz ZZMKGOSAQZYERD-PSASIEDQSA-N 0 3 298.347 -2.062 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001410805450 889717766 /nfs/dbraw/zinc/71/77/66/889717766.db2.gz RMDWNFSQCJZCPF-PSASIEDQSA-N 0 3 270.333 -1.471 20 0 CAADHN CCNC(=O)CN[C@@H](CO)CNC(=O)Cn1ccnc1C ZINC001410795331 889718895 /nfs/dbraw/zinc/71/88/95/889718895.db2.gz WQEVBDIGMHTWQL-LLVKDONJSA-N 0 3 297.359 -1.606 20 0 CAADHN CCNC(=O)CN[C@H](CO)CNC(=O)Cn1ccnc1C ZINC001410795348 889719128 /nfs/dbraw/zinc/71/91/28/889719128.db2.gz WQEVBDIGMHTWQL-NSHDSACASA-N 0 3 297.359 -1.606 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1C[C@H](NCCF)C[C@H]1C ZINC001410863542 889720660 /nfs/dbraw/zinc/72/06/60/889720660.db2.gz NBOLHECTSGPDHW-RKDXNWHRSA-N 0 3 296.368 -1.411 20 0 CAADHN CNC(=O)CCCC(=O)N1C[C@@H](NCC(N)=O)C[C@H]1C ZINC001410844405 889721445 /nfs/dbraw/zinc/72/14/45/889721445.db2.gz IHDYETBMHJRMCN-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2nccnc2N)C1 ZINC001410834970 889721583 /nfs/dbraw/zinc/72/15/83/889721583.db2.gz HPELPTMGYYTCDC-IUCAKERBSA-N 0 3 292.343 -1.003 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1C[C@@H](NCCF)C[C@H]1C ZINC001410863533 889721689 /nfs/dbraw/zinc/72/16/89/889721689.db2.gz NBOLHECTSGPDHW-BDAKNGLRSA-N 0 3 296.368 -1.411 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C ZINC001410853932 889722077 /nfs/dbraw/zinc/72/20/77/889722077.db2.gz KRGOBPGXUYTVEM-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)CCCC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC001410844400 889722500 /nfs/dbraw/zinc/72/25/00/889722500.db2.gz IHDYETBMHJRMCN-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN COCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@H]1C ZINC001410823480 889723238 /nfs/dbraw/zinc/72/32/38/889723238.db2.gz PWIOKDRWYSUIRE-SFYZADRCSA-N 0 3 272.305 -1.593 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cn(C)cn1)C(N)=O ZINC001410980632 889724739 /nfs/dbraw/zinc/72/47/39/889724739.db2.gz LCQVBCHZGYQSRN-NXEZZACHSA-N 0 3 297.359 -1.294 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001410986824 889724911 /nfs/dbraw/zinc/72/49/11/889724911.db2.gz PDIJNSQJOTVWPI-VIFPVBQESA-N 0 3 283.332 -1.480 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CCCCO1 ZINC001410997040 889724933 /nfs/dbraw/zinc/72/49/33/889724933.db2.gz WNXJXEWPBORMIY-VHSXEESVSA-N 0 3 273.333 -1.550 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnsn1 ZINC001410984440 889725028 /nfs/dbraw/zinc/72/50/28/889725028.db2.gz OKWOBDIOHRISSE-HTQZYQBOSA-N 0 3 299.356 -1.551 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cccn1C ZINC001410985695 889725117 /nfs/dbraw/zinc/72/51/17/889725117.db2.gz NHTHQAZRWCLVEU-MNOVXSKESA-N 0 3 294.355 -1.064 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)OC ZINC001410987266 889725175 /nfs/dbraw/zinc/72/51/75/889725175.db2.gz QLALWFWKFDFRQI-WDEREUQCSA-N 0 3 289.376 -1.092 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001410984646 889725308 /nfs/dbraw/zinc/72/53/08/889725308.db2.gz PKIXVRFISPUFHZ-ZJUUUORDSA-N 0 3 297.359 -1.423 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)C1=COCCO1)C(N)=O ZINC001410974624 889725458 /nfs/dbraw/zinc/72/54/58/889725458.db2.gz HQWFOHJUTRNUKA-BDAKNGLRSA-N 0 3 287.316 -1.843 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)Cn1cccn1 ZINC001410979531 889725850 /nfs/dbraw/zinc/72/58/50/889725850.db2.gz JYPXXOOCHZIPSG-GHMZBOCLSA-N 0 3 297.359 -1.574 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cn(C)cn1)C(N)=O ZINC001410980641 889726021 /nfs/dbraw/zinc/72/60/21/889726021.db2.gz LCQVBCHZGYQSRN-VHSXEESVSA-N 0 3 297.359 -1.294 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)C1=COCCO1 ZINC001410980449 889726075 /nfs/dbraw/zinc/72/60/75/889726075.db2.gz LMUKKZHFUWMKNE-SECBINFHSA-N 0 3 287.316 -1.971 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CN(C)C(=O)C(C)C ZINC001410985171 889726252 /nfs/dbraw/zinc/72/62/52/889726252.db2.gz NATDFYQPNNWBHL-VIFPVBQESA-N 0 3 288.348 -1.493 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001410984546 889726313 /nfs/dbraw/zinc/72/63/13/889726313.db2.gz PKIXVRFISPUFHZ-NXEZZACHSA-N 0 3 297.359 -1.423 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnn(C)c1C ZINC001410972535 889726534 /nfs/dbraw/zinc/72/65/34/889726534.db2.gz FYUUNZJFGZHMDA-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)OC ZINC001410987258 889726549 /nfs/dbraw/zinc/72/65/49/889726549.db2.gz QLALWFWKFDFRQI-GHMZBOCLSA-N 0 3 289.376 -1.092 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1cccc1 ZINC001410991335 889726561 /nfs/dbraw/zinc/72/65/61/889726561.db2.gz UEHPZFUHBIWCBH-QWRGUYRKSA-N 0 3 282.344 -1.057 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)COC ZINC001410987576 889726600 /nfs/dbraw/zinc/72/66/00/889726600.db2.gz SFYKJBMDWUSUEN-VHSXEESVSA-N 0 3 275.349 -1.576 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)Cn1cccn1 ZINC001410979541 889726918 /nfs/dbraw/zinc/72/69/18/889726918.db2.gz JYPXXOOCHZIPSG-QWRGUYRKSA-N 0 3 297.359 -1.574 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C1=CCOCC1 ZINC001410977582 889726985 /nfs/dbraw/zinc/72/69/85/889726985.db2.gz JHWLVZVRATZCLT-NWDGAFQWSA-N 0 3 297.355 -1.370 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)C1=COCCO1)C(N)=O ZINC001410974633 889727153 /nfs/dbraw/zinc/72/71/53/889727153.db2.gz HQWFOHJUTRNUKA-DTWKUNHWSA-N 0 3 287.316 -1.843 20 0 CAADHN CCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(=O)NC(=O)NC ZINC001411013381 889728069 /nfs/dbraw/zinc/72/80/69/889728069.db2.gz KMKKNCZWFOOINH-DTWKUNHWSA-N 0 3 288.348 -1.351 20 0 CAADHN CCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(=O)NC(=O)NC ZINC001411013387 889728445 /nfs/dbraw/zinc/72/84/45/889728445.db2.gz KMKKNCZWFOOINH-IUCAKERBSA-N 0 3 288.348 -1.351 20 0 CAADHN CCn1nncc1C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001411064670 889728654 /nfs/dbraw/zinc/72/86/54/889728654.db2.gz LJHCEVSXABAHMS-SECBINFHSA-N 0 3 298.347 -1.934 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001411052278 889728687 /nfs/dbraw/zinc/72/86/87/889728687.db2.gz APHYMVILBYWMLT-SECBINFHSA-N 0 3 298.347 -2.074 20 0 CAADHN Cc1ccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n1C ZINC001411005865 889728871 /nfs/dbraw/zinc/72/88/71/889728871.db2.gz YWTNVBBSTHIXLE-SNVBAGLBSA-N 0 3 282.344 -1.159 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C1(F)CCOCC1 ZINC001411040423 889728900 /nfs/dbraw/zinc/72/89/00/889728900.db2.gz IKDRRNHMZJZTAB-VIFPVBQESA-N 0 3 291.323 -1.601 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001411063671 889728971 /nfs/dbraw/zinc/72/89/71/889728971.db2.gz KFLXUGGMMJPSJE-SFYZADRCSA-N 0 3 285.308 -3.044 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnccn1)C(N)=O ZINC001411013083 889729288 /nfs/dbraw/zinc/72/92/88/889729288.db2.gz RVLDVXTUPXXTQN-NXEZZACHSA-N 0 3 295.343 -1.237 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001411083450 889729427 /nfs/dbraw/zinc/72/94/27/889729427.db2.gz ZXTZHKVRDTTXLU-RKDXNWHRSA-N 0 3 299.335 -2.784 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1n[nH]c(C)c1C ZINC001411004464 889729683 /nfs/dbraw/zinc/72/96/83/889729683.db2.gz KGTRGYOJOWDDBQ-SNVBAGLBSA-N 0 3 297.359 -1.205 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1nnc(C)o1 ZINC001411053205 889729916 /nfs/dbraw/zinc/72/99/16/889729916.db2.gz BQXRLMHEMUNYBG-VIFPVBQESA-N 0 3 299.331 -1.925 20 0 CAADHN CCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(=O)NC(=O)NC ZINC001411013376 889730021 /nfs/dbraw/zinc/73/00/21/889730021.db2.gz KMKKNCZWFOOINH-BDAKNGLRSA-N 0 3 288.348 -1.351 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001410999160 889730103 /nfs/dbraw/zinc/73/01/03/889730103.db2.gz YXCFQDMGVLZEHR-MNOVXSKESA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnnn1C ZINC001411083384 889730419 /nfs/dbraw/zinc/73/04/19/889730419.db2.gz VAYGPGIEPSORKY-MRVPVSSYSA-N 0 3 284.320 -2.416 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001411063554 889730475 /nfs/dbraw/zinc/73/04/75/889730475.db2.gz KFLXUGGMMJPSJE-HTQZYQBOSA-N 0 3 285.308 -3.044 20 0 CAADHN Cc1ccn(C)c1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001411086606 889730600 /nfs/dbraw/zinc/73/06/00/889730600.db2.gz XANNODSRVRYBKO-JTQLQIEISA-N 0 3 282.344 -1.159 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)Cc1ccon1 ZINC001411018454 889730693 /nfs/dbraw/zinc/73/06/93/889730693.db2.gz VQEQHWAEJFQCMP-GXSJLCMTSA-N 0 3 298.343 -1.240 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cnco1)C(N)=O ZINC001411079427 889730760 /nfs/dbraw/zinc/73/07/60/889730760.db2.gz RWJNGKOFIMXBHI-JGVFFNPUSA-N 0 3 270.289 -1.429 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)c1ncc[nH]1 ZINC001411069174 889730835 /nfs/dbraw/zinc/73/08/35/889730835.db2.gz OXFQTQBFJQZGGG-SNVBAGLBSA-N 0 3 295.343 -1.289 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cnccn1)C(N)=O ZINC001411013110 889730948 /nfs/dbraw/zinc/73/09/48/889730948.db2.gz RVLDVXTUPXXTQN-ZJUUUORDSA-N 0 3 295.343 -1.237 20 0 CAADHN Cc1nn(C)cc1CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001411037917 889730976 /nfs/dbraw/zinc/73/09/76/889730976.db2.gz DFTMYVBEOAKVNO-LLVKDONJSA-N 0 3 297.359 -1.835 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccncc1 ZINC001411001474 889731028 /nfs/dbraw/zinc/73/10/28/889731028.db2.gz ISNYIKGUAWPPJK-NWDGAFQWSA-N 0 3 292.339 -1.007 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccncc1 ZINC001411001468 889731042 /nfs/dbraw/zinc/73/10/42/889731042.db2.gz ISNYIKGUAWPPJK-NEPJUHHUSA-N 0 3 292.339 -1.007 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@]12CCC[C@H]1OCC2 ZINC001411053525 889731116 /nfs/dbraw/zinc/73/11/16/889731116.db2.gz QSMMWXIRXGKSDG-GYSYKLTISA-N 0 3 299.371 -1.160 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1ncn(C)n1)C(N)=O ZINC001411076450 889731131 /nfs/dbraw/zinc/73/11/31/889731131.db2.gz QMMVSKZMYSHIFZ-IUCAKERBSA-N 0 3 298.347 -1.899 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@@H]1CCCOC1 ZINC001411132310 889732231 /nfs/dbraw/zinc/73/22/31/889732231.db2.gz YUCYGLZSTCBXTR-QWRGUYRKSA-N 0 3 287.360 -1.303 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001411125741 889732272 /nfs/dbraw/zinc/73/22/72/889732272.db2.gz KYXAXZXKDRWMHM-JTQLQIEISA-N 0 3 295.343 -1.413 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)Cc1cnoc1 ZINC001411088932 889732538 /nfs/dbraw/zinc/73/25/38/889732538.db2.gz LOMNPBHASQWEER-MNOVXSKESA-N 0 3 296.327 -1.486 20 0 CAADHN Cc1ccnn1CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001411094185 889732589 /nfs/dbraw/zinc/73/25/89/889732589.db2.gz GLKKUSZIVPGVPI-SNVBAGLBSA-N 0 3 283.332 -1.914 20 0 CAADHN Cc1nc(C)c(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)[nH]1 ZINC001411088665 889732703 /nfs/dbraw/zinc/73/27/03/889732703.db2.gz DQCABHLPOBWIET-WCBMZHEXSA-N 0 3 297.359 -1.077 20 0 CAADHN CN(C[C@@H](O)CNCc1cnon1)C(=O)Cc1ncn[nH]1 ZINC001411143106 889733228 /nfs/dbraw/zinc/73/32/28/889733228.db2.gz LPAVVPXBSOQDOO-VIFPVBQESA-N 0 3 295.303 -1.661 20 0 CAADHN Cc1ccnn1CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001411094181 889733507 /nfs/dbraw/zinc/73/35/07/889733507.db2.gz GLKKUSZIVPGVPI-JTQLQIEISA-N 0 3 283.332 -1.914 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccnnc1 ZINC001411088375 889733698 /nfs/dbraw/zinc/73/36/98/889733698.db2.gz BMMJSZHXKOMRRP-SNVBAGLBSA-N 0 3 281.316 -1.755 20 0 CAADHN Cc1nccn1CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001411121509 889734487 /nfs/dbraw/zinc/73/44/87/889734487.db2.gz DMSINTSCVAMLPH-GXSJLCMTSA-N 0 3 297.359 -1.526 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1ccncn1)C(N)=O ZINC001411133786 889734539 /nfs/dbraw/zinc/73/45/39/889734539.db2.gz XVJDLOBGOXGDFU-ZJUUUORDSA-N 0 3 295.343 -1.237 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccncn1)C(N)=O ZINC001411133776 889734891 /nfs/dbraw/zinc/73/48/91/889734891.db2.gz XVJDLOBGOXGDFU-NXEZZACHSA-N 0 3 295.343 -1.237 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cc1cscn1 ZINC001411099548 889735115 /nfs/dbraw/zinc/73/51/15/889735115.db2.gz GXUAINPHAGUJGX-VIFPVBQESA-N 0 3 286.357 -1.420 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001411096267 889735244 /nfs/dbraw/zinc/73/52/44/889735244.db2.gz COJXLQLOTGZBRF-YUMQZZPRSA-N 0 3 284.320 -2.289 20 0 CAADHN Cc1nc(C)c(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)[nH]1 ZINC001411088658 889735488 /nfs/dbraw/zinc/73/54/88/889735488.db2.gz DQCABHLPOBWIET-SCZZXKLOSA-N 0 3 297.359 -1.077 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1coc(C(N)=O)c1 ZINC001411173656 889736524 /nfs/dbraw/zinc/73/65/24/889736524.db2.gz QEOAFPHTMIAVND-SNVBAGLBSA-N 0 3 299.327 -1.265 20 0 CAADHN C[C@H](C(=O)N(C)C[C@@H](O)CN(C)CCO)n1cncn1 ZINC001411167251 889736669 /nfs/dbraw/zinc/73/66/69/889736669.db2.gz YEXHGKXKKLIMEU-MNOVXSKESA-N 0 3 285.348 -1.418 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1COC(=O)N1 ZINC001411167427 889737765 /nfs/dbraw/zinc/73/77/65/889737765.db2.gz CXRRSBYHHHXEII-VHSXEESVSA-N 0 3 289.332 -1.508 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@H](O)CN(C)CCO)n1cncn1 ZINC001411167265 889738555 /nfs/dbraw/zinc/73/85/55/889738555.db2.gz YEXHGKXKKLIMEU-WDEREUQCSA-N 0 3 285.348 -1.418 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@]12C[C@H]1COC2 ZINC001411173284 889740160 /nfs/dbraw/zinc/74/01/60/889740160.db2.gz WBNILZFMGZTGSH-GVXVVHGQSA-N 0 3 272.345 -1.234 20 0 CAADHN COCCN(CCNC(=O)[C@@H]1COC(=O)N1)C[C@@H](C)O ZINC001411224543 889742495 /nfs/dbraw/zinc/74/24/95/889742495.db2.gz DNCLGIVHDYTKIV-ZJUUUORDSA-N 0 3 289.332 -1.460 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)CCNC(N)=O ZINC001411188937 889745392 /nfs/dbraw/zinc/74/53/92/889745392.db2.gz VRJKPAKFTCXGCR-SECBINFHSA-N 0 3 276.337 -2.212 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC001411753749 889760381 /nfs/dbraw/zinc/76/03/81/889760381.db2.gz OCDZHQULFWNBIZ-JTQLQIEISA-N 0 3 290.389 -1.407 20 0 CAADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cn1nnc(N)n1 ZINC001412046700 889787917 /nfs/dbraw/zinc/78/79/17/889787917.db2.gz RAYAHMIMDGCTPV-JTQLQIEISA-N 0 3 296.379 -1.603 20 0 CAADHN Nc1nnn(CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)n1 ZINC001412109988 889792558 /nfs/dbraw/zinc/79/25/58/889792558.db2.gz NJAJQQBIOCPEQG-IUCAKERBSA-N 0 3 281.320 -2.077 20 0 CAADHN NC(=O)c1ncn(CC(=O)N[C@H](CO)CN2CCCC2)n1 ZINC001412197759 889799488 /nfs/dbraw/zinc/79/94/88/889799488.db2.gz XQUIPCVROGKKQQ-VIFPVBQESA-N 0 3 296.331 -2.050 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2C[C@H](O)[C@H](CO)C2)CC1=O ZINC001412222733 889801427 /nfs/dbraw/zinc/80/14/27/889801427.db2.gz OFAKQZBINVALRN-WOPDTQHZSA-N 0 3 299.371 -1.792 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2C[C@H](CO)[C@H](O)C2)CC1=O ZINC001412222717 889803419 /nfs/dbraw/zinc/80/34/19/889803419.db2.gz OFAKQZBINVALRN-IJLUTSLNSA-N 0 3 299.371 -1.792 20 0 CAADHN Nc1nnn(CC(=O)NC[C@H]2CN3CCC[C@H]3CO2)n1 ZINC001412481217 889834135 /nfs/dbraw/zinc/83/41/35/889834135.db2.gz ZZZLBTYMLCLSRS-IUCAKERBSA-N 0 3 281.320 -1.765 20 0 CAADHN Nc1nnn(CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)n1 ZINC001412481204 889835613 /nfs/dbraw/zinc/83/56/13/889835613.db2.gz ZZZLBTYMLCLSRS-BDAKNGLRSA-N 0 3 281.320 -1.765 20 0 CAADHN O=C(CCN1CC[C@@H](F)C1)NC[C@]1(CO)COCCN1 ZINC001412465709 889835804 /nfs/dbraw/zinc/83/58/04/889835804.db2.gz NFMWNOQQHUQUSR-YPMHNXCESA-N 0 3 289.351 -1.113 20 0 CAADHN O=C(CCN1CC[C@@H](F)C1)NC[C@@]1(CO)COCCN1 ZINC001412465683 889836189 /nfs/dbraw/zinc/83/61/89/889836189.db2.gz NFMWNOQQHUQUSR-DGCLKSJQSA-N 0 3 289.351 -1.113 20 0 CAADHN O=C(CCN1CC[C@H](F)C1)NC[C@]1(CO)COCCN1 ZINC001412465675 889836573 /nfs/dbraw/zinc/83/65/73/889836573.db2.gz NFMWNOQQHUQUSR-AAEUAGOBSA-N 0 3 289.351 -1.113 20 0 CAADHN C[C@@H](CNC(=O)Cn1nnc(N)n1)CN1CCN(C)CC1 ZINC001412525278 889845221 /nfs/dbraw/zinc/84/52/21/889845221.db2.gz FBZATIZDYUYDMH-JTQLQIEISA-N 0 3 296.379 -1.745 20 0 CAADHN CSCC[C@H](NC(N)=O)C(=O)NCCN(C)CCO ZINC001412606934 889857163 /nfs/dbraw/zinc/85/71/63/889857163.db2.gz KISGJKGSUBEURS-VIFPVBQESA-N 0 3 292.405 -1.183 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001412638252 889859137 /nfs/dbraw/zinc/85/91/37/889859137.db2.gz DWOLMSBRARLMSD-OPRDCNLKSA-N 0 3 295.347 -1.613 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001412682861 889865969 /nfs/dbraw/zinc/86/59/69/889865969.db2.gz AMMCSAOUCLWPEO-SECBINFHSA-N 0 3 296.327 -1.482 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)N1CC(N[C@H]2CCOC2)C1 ZINC001412682913 889867669 /nfs/dbraw/zinc/86/76/69/889867669.db2.gz AMMCSAOUCLWPEO-VIFPVBQESA-N 0 3 296.327 -1.482 20 0 CAADHN CS(=O)(=O)NCCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001412711748 889869978 /nfs/dbraw/zinc/86/99/78/889869978.db2.gz XFSMLQYWPYSINP-VIFPVBQESA-N 0 3 291.373 -1.485 20 0 CAADHN CS(=O)(=O)NCCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001412711722 889870531 /nfs/dbraw/zinc/87/05/31/889870531.db2.gz XFSMLQYWPYSINP-SECBINFHSA-N 0 3 291.373 -1.485 20 0 CAADHN COCC(=O)N[C@H](CO)CNC(=O)C1(N(C)C)CCC1 ZINC001412885671 889904987 /nfs/dbraw/zinc/90/49/87/889904987.db2.gz UINNPKFDDHQBII-JTQLQIEISA-N 0 3 287.360 -1.290 20 0 CAADHN COCC(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001412930353 889910461 /nfs/dbraw/zinc/91/04/61/889910461.db2.gz JKDJWBVDIABVIC-VIFPVBQESA-N 0 3 284.316 -1.500 20 0 CAADHN COCC(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001412930348 889912411 /nfs/dbraw/zinc/91/24/11/889912411.db2.gz JKDJWBVDIABVIC-SECBINFHSA-N 0 3 284.316 -1.500 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC001412943173 889915007 /nfs/dbraw/zinc/91/50/07/889915007.db2.gz RBHNJZJYDWYFLR-GUBZILKMSA-N 0 3 281.378 -1.767 20 0 CAADHN C[C@H]1CN(CCO)CCN1CCCC(=O)NC(N)=O ZINC001412994244 889920659 /nfs/dbraw/zinc/92/06/59/889920659.db2.gz KRTSDUKJEXLQAC-JTQLQIEISA-N 0 3 272.349 -1.040 20 0 CAADHN OC[C@@H]1C[C@H](O)CN1C[C@H](O)CC1(O)CCOCC1 ZINC001412972374 889920710 /nfs/dbraw/zinc/92/07/10/889920710.db2.gz XLYCHKJZVCECIV-SDDRHHMPSA-N 0 3 275.345 -1.294 20 0 CAADHN OC[C@@H]1C[C@@H](O)CN1C[C@H](O)CC1(O)CCOCC1 ZINC001412972368 889921427 /nfs/dbraw/zinc/92/14/27/889921427.db2.gz XLYCHKJZVCECIV-QJPTWQEYSA-N 0 3 275.345 -1.294 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN(CCNS(C)(=O)=O)C1 ZINC001413009372 889925148 /nfs/dbraw/zinc/92/51/48/889925148.db2.gz IXJCTIAVGJJQDI-SNVBAGLBSA-N 0 3 293.389 -1.428 20 0 CAADHN CON1CC[C@H](N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)C1=O ZINC001413031744 889928424 /nfs/dbraw/zinc/92/84/24/889928424.db2.gz XLEBYESQXCEWRL-FXQIFTODSA-N 0 3 270.289 -2.333 20 0 CAADHN CS(=O)(=O)N1CC(CN2CCC(CO)(CO)C2)C1 ZINC001413027907 889929459 /nfs/dbraw/zinc/92/94/59/889929459.db2.gz MVSVTBDFINGORY-UHFFFAOYSA-N 0 3 278.374 -1.446 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CNC(=O)C2)CC1=O ZINC001413119993 889939574 /nfs/dbraw/zinc/93/95/74/889939574.db2.gz YJJZMTQDNLTMFW-WDEREUQCSA-N 0 3 296.371 -1.351 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CNC(=O)C2)CC1=O ZINC001413119982 889940386 /nfs/dbraw/zinc/94/03/86/889940386.db2.gz YJJZMTQDNLTMFW-QWRGUYRKSA-N 0 3 296.371 -1.351 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1cnc(N)n1 ZINC001413197180 889946843 /nfs/dbraw/zinc/94/68/43/889946843.db2.gz XZNDDQXQEVIFMX-SECBINFHSA-N 0 3 295.347 -1.561 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@@H]2CC(C(N)=O)=NO2)C1 ZINC001413808545 890017681 /nfs/dbraw/zinc/01/76/81/890017681.db2.gz DNNZIIVVUJSXBG-UFBFGSQYSA-N 0 3 299.331 -2.018 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001413858467 890020807 /nfs/dbraw/zinc/02/08/07/890020807.db2.gz OQJXXVGSFAHCQH-GMTAPVOTSA-N 0 3 296.371 -1.094 20 0 CAADHN CCN1CCCC[C@H]1C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001413858449 890022853 /nfs/dbraw/zinc/02/28/53/890022853.db2.gz OQJXXVGSFAHCQH-AXFHLTTASA-N 0 3 296.371 -1.094 20 0 CAADHN COC(=O)CNC(=O)CCN1CCN(CCO)[C@H](C)C1 ZINC001413987660 890035234 /nfs/dbraw/zinc/03/52/34/890035234.db2.gz QVAIWWYPMWLXKG-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN COC(=O)CNC(=O)CCN1CCN(CCO)[C@@H](C)C1 ZINC001413987663 890037048 /nfs/dbraw/zinc/03/70/48/890037048.db2.gz QVAIWWYPMWLXKG-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN OC[C@@H]1CN(C[C@H](O)C[C@@]2(O)CCOC2)CC[C@H]1O ZINC001413999222 890038985 /nfs/dbraw/zinc/03/89/85/890038985.db2.gz KRJQXLBPBCWDBZ-LOWDOPEQSA-N 0 3 275.345 -1.436 20 0 CAADHN NC(=O)Cn1cc(CNC[C@H]2CCCN2CCCO)nn1 ZINC001414088685 890048207 /nfs/dbraw/zinc/04/82/07/890048207.db2.gz VCUWICKGBOSCBP-GFCCVEGCSA-N 0 3 296.375 -1.300 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001414791024 890077860 /nfs/dbraw/zinc/07/78/60/890077860.db2.gz LOICLNOZHGHOSY-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CN(CCNC(=O)Cn1cnnn1)C(=O)CN1CCCC1 ZINC001415441728 890093169 /nfs/dbraw/zinc/09/31/69/890093169.db2.gz KEOQVUPPWOTKLB-UHFFFAOYSA-N 0 3 295.347 -1.657 20 0 CAADHN CCN(CC)CC(=O)NCCN(C)C(=O)CNC(N)=O ZINC001415502615 890096591 /nfs/dbraw/zinc/09/65/91/890096591.db2.gz UXHJEBMFMMLWBW-UHFFFAOYSA-N 0 3 287.364 -1.429 20 0 CAADHN CN(CCNC(=O)c1nnn(C)n1)C(=O)[C@@H]1CCCN1C ZINC001415580989 890100925 /nfs/dbraw/zinc/10/09/25/890100925.db2.gz ZPUHJDIDFMYJID-VIFPVBQESA-N 0 3 295.347 -1.508 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)CNC(C)=O)C1)N(C)C ZINC001415966749 890105767 /nfs/dbraw/zinc/10/57/67/890105767.db2.gz JPKVSWDRMMIEFV-LLVKDONJSA-N 0 3 284.360 -1.210 20 0 CAADHN CC(=O)NCC(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001415968118 890106445 /nfs/dbraw/zinc/10/64/45/890106445.db2.gz VNJXDEZLVCNCNB-SNVBAGLBSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001415968111 890106532 /nfs/dbraw/zinc/10/65/32/890106532.db2.gz VNJXDEZLVCNCNB-JTQLQIEISA-N 0 3 296.371 -1.209 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001416006577 890108740 /nfs/dbraw/zinc/10/87/40/890108740.db2.gz YWVIHHSVXBPLFV-UHFFFAOYSA-N 0 3 285.348 -1.678 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)Cn2cncn2)C1 ZINC001416030869 890109017 /nfs/dbraw/zinc/10/90/17/890109017.db2.gz LGCJVMXAQOSIPF-UHFFFAOYSA-N 0 3 294.359 -1.053 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001416034359 890109228 /nfs/dbraw/zinc/10/92/28/890109228.db2.gz MKIVGUDTLZLWHP-KOLCDFICSA-N 0 3 296.371 -1.081 20 0 CAADHN CC[C@H](C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1)N(C)C ZINC001416013464 890109345 /nfs/dbraw/zinc/10/93/45/890109345.db2.gz FWJMILRIDFIGCM-OUAUKWLOSA-N 0 3 296.371 -1.225 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)c2nnn(C)n2)C1)N(C)C ZINC001416059299 890110339 /nfs/dbraw/zinc/11/03/39/890110339.db2.gz XTQXCBHINCJBFX-VIFPVBQESA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@H](CS(C)(=O)=O)N(C)C(=O)CCNC(=O)CO ZINC001417640197 890151032 /nfs/dbraw/zinc/15/10/32/890151032.db2.gz BTPUMOAISHQPPQ-MRVPVSSYSA-N 0 3 280.346 -1.624 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1cnon1)N(C)C ZINC001416773967 890127894 /nfs/dbraw/zinc/12/78/94/890127894.db2.gz FHUFSXHQHBOIRQ-WPRPVWTQSA-N 0 3 299.331 -1.383 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001416903915 890132362 /nfs/dbraw/zinc/13/23/62/890132362.db2.gz FTSUUYDWVNCGPK-VIFPVBQESA-N 0 3 297.363 -1.215 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](C)CNC(=O)Cn1cnnn1)N(C)C ZINC001416948840 890135334 /nfs/dbraw/zinc/13/53/34/890135334.db2.gz WHWONWFRJJEPPG-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H](CNC(=O)CNC(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001416950778 890135724 /nfs/dbraw/zinc/13/57/24/890135724.db2.gz QNQVEYCIFXVGGN-UWVGGRQHSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@@]1(NC(=O)Cn2cnc(C(N)=O)n2)CN2CCC1CC2 ZINC001417565203 890142318 /nfs/dbraw/zinc/14/23/18/890142318.db2.gz BPJGEMVVNQCVFL-CYBMUJFWSA-N 0 3 292.343 -1.023 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCN1CCCC1 ZINC001417601771 890145945 /nfs/dbraw/zinc/14/59/45/890145945.db2.gz WXFBFDQPFSVTFA-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@@H]1OC(=O)N[C@H]1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001417637841 890150496 /nfs/dbraw/zinc/15/04/96/890150496.db2.gz MUADXVUOEYZTCT-NKWVEPMBSA-N 0 3 293.345 -1.073 20 0 CAADHN C[C@@H](O)C[C@@H](C)CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001417649782 890149830 /nfs/dbraw/zinc/14/98/30/890149830.db2.gz PYOQXGVLVXILPE-BBBLOLIVSA-N 0 3 298.347 -1.299 20 0 CAADHN CCN1CCN([C@H](C)CNC(=O)C2(O)COC2)CC1 ZINC001417637219 890150071 /nfs/dbraw/zinc/15/00/71/890150071.db2.gz NNWSRWAVJYDPKH-LLVKDONJSA-N 0 3 271.361 -1.110 20 0 CAADHN CNC(=O)CCNC(=O)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001417646737 890150155 /nfs/dbraw/zinc/15/01/55/890150155.db2.gz PZDRNFXYVXUADF-SSDOTTSWSA-N 0 3 283.292 -2.570 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)Cc1cc[nH]n1 ZINC001417642135 890150253 /nfs/dbraw/zinc/15/02/53/890150253.db2.gz WZZSZLRBXUNUJC-QMMMGPOBSA-N 0 3 292.303 -1.441 20 0 CAADHN COCCN(C(=O)CCC(N)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001417638277 890150269 /nfs/dbraw/zinc/15/02/69/890150269.db2.gz BFPCKSRNEZCDCF-SECBINFHSA-N 0 3 292.357 -1.086 20 0 CAADHN NC(=O)[C@H]1CCN(C(=O)[C@H]2CCC3N=NC(=O)N3C2)C1 ZINC001417638448 890150275 /nfs/dbraw/zinc/15/02/75/890150275.db2.gz HCMKCOYIODDCEL-YUMQZZPRSA-N 0 3 279.300 -1.120 20 0 CAADHN CC(C)(O)[C@@H](O)C(=O)N1CCCN(CC(N)=O)CC1 ZINC001417638806 890150290 /nfs/dbraw/zinc/15/02/90/890150290.db2.gz MPFATAZGKLINMW-JTQLQIEISA-N 0 3 273.333 -1.862 20 0 CAADHN NC(=O)CCn1ccc(NC(=O)CCn2cnnn2)n1 ZINC001417648380 890150305 /nfs/dbraw/zinc/15/03/05/890150305.db2.gz FTWMPLCPRVJKAN-UHFFFAOYSA-N 0 3 278.276 -1.226 20 0 CAADHN C[C@H](C(=O)NCCC(N)=O)S(=O)(=O)C1CCOCC1 ZINC001417648409 890150321 /nfs/dbraw/zinc/15/03/21/890150321.db2.gz GMPFGNWGWOOTJC-MRVPVSSYSA-N 0 3 292.357 -1.040 20 0 CAADHN COC(=O)[C@@H](CNC(=O)[C@@H](CO)NC(N)=O)CC(C)C ZINC001417646831 890150387 /nfs/dbraw/zinc/15/03/87/890150387.db2.gz SCZDSIOOMKVPDY-RKDXNWHRSA-N 0 3 289.332 -1.033 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)CCNC(=O)CO)C1 ZINC001417640247 890150432 /nfs/dbraw/zinc/15/04/32/890150432.db2.gz CLQATSYYDAZXCZ-MRVPVSSYSA-N 0 3 293.345 -2.365 20 0 CAADHN C[C@H](CN1CCN(C)CC1)NC(=O)[C@@]1(O)CCOC1 ZINC001417639165 890150470 /nfs/dbraw/zinc/15/04/70/890150470.db2.gz VTUHCCUNNTVNCP-DGCLKSJQSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@H](O)C[C@H](C)CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001417649784 890150518 /nfs/dbraw/zinc/15/05/18/890150518.db2.gz PYOQXGVLVXILPE-GUBZILKMSA-N 0 3 298.347 -1.299 20 0 CAADHN CC(C)OC(=O)CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001417638605 890150524 /nfs/dbraw/zinc/15/05/24/890150524.db2.gz JZXVTGMSASBBCB-QMMMGPOBSA-N 0 3 298.303 -1.754 20 0 CAADHN CN(CCNS(C)(=O)=O)C(=O)CCNC(=O)CO ZINC001417640430 890150540 /nfs/dbraw/zinc/15/05/40/890150540.db2.gz FVGMTBINNOCFNO-UHFFFAOYSA-N 0 3 281.334 -2.507 20 0 CAADHN COC(=O)[C@@H](CNC(=O)[C@H](CO)NC(N)=O)CC(C)C ZINC001417646828 890150571 /nfs/dbraw/zinc/15/05/71/890150571.db2.gz SCZDSIOOMKVPDY-BDAKNGLRSA-N 0 3 289.332 -1.033 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCC1(O)CCC1 ZINC001417648988 890150582 /nfs/dbraw/zinc/15/05/82/890150582.db2.gz QYJIAHMEFNIYQB-MRVPVSSYSA-N 0 3 282.304 -1.791 20 0 CAADHN CCN(CC(=O)NC)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001417637426 890150596 /nfs/dbraw/zinc/15/05/96/890150596.db2.gz VPIZIWXNYUDMHM-ZETCQYMHSA-N 0 3 291.329 -2.506 20 0 CAADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCc1nnc[nH]1 ZINC001417642446 890150756 /nfs/dbraw/zinc/15/07/56/890150756.db2.gz ILDDXKHISKVJSN-XVKPBYJWSA-N 0 3 281.316 -1.261 20 0 CAADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCc1nc[nH]n1 ZINC001417642446 890150763 /nfs/dbraw/zinc/15/07/63/890150763.db2.gz ILDDXKHISKVJSN-XVKPBYJWSA-N 0 3 281.316 -1.261 20 0 CAADHN Cc1nn(CC(=O)N[C@@H]2CCN(C(N)=O)C2)c(=O)n1C ZINC001417637447 890150767 /nfs/dbraw/zinc/15/07/67/890150767.db2.gz WYBVPALVVJNULG-MRVPVSSYSA-N 0 3 282.304 -1.841 20 0 CAADHN COC1(C(=O)NC[C@@H]2CCCNC2=O)CS(=O)(=O)C1 ZINC001417635714 890150792 /nfs/dbraw/zinc/15/07/92/890150792.db2.gz DRIWJPPERBOFLJ-QMMMGPOBSA-N 0 3 290.341 -1.558 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(C(N)=O)C2)O1 ZINC001417637150 890150802 /nfs/dbraw/zinc/15/08/02/890150802.db2.gz LDIJURBZSAWJLQ-BIIVOSGPSA-N 0 3 270.289 -1.712 20 0 CAADHN C[C@@H](CN1CCN(C)CC1)NC(=O)[C@@]1(O)CCOC1 ZINC001417639166 890150806 /nfs/dbraw/zinc/15/08/06/890150806.db2.gz VTUHCCUNNTVNCP-WCQYABFASA-N 0 3 271.361 -1.110 20 0 CAADHN NC(=O)CN1CCC[C@H](NC(=O)Cn2cnc(N)n2)C1 ZINC001417637949 890150816 /nfs/dbraw/zinc/15/08/16/890150816.db2.gz RHGXHQLTXXKJCL-QMMMGPOBSA-N 0 3 281.320 -2.074 20 0 CAADHN C[C@H]1OC(=O)N[C@H]1C(=O)NCC(C)(C)NS(C)(=O)=O ZINC001417637842 890150867 /nfs/dbraw/zinc/15/08/67/890150867.db2.gz MUADXVUOEYZTCT-RNFRBKRXSA-N 0 3 293.345 -1.073 20 0 CAADHN CC(C)(O)[C@H](O)C(=O)N1CCCN(CC(N)=O)CC1 ZINC001417638807 890150925 /nfs/dbraw/zinc/15/09/25/890150925.db2.gz MPFATAZGKLINMW-SNVBAGLBSA-N 0 3 273.333 -1.862 20 0 CAADHN NC(=O)CN1CCCN(C(=O)Cc2nnc(N)s2)CC1 ZINC001417638453 890150932 /nfs/dbraw/zinc/15/09/32/890150932.db2.gz HMZCFGXXMWJZBO-UHFFFAOYSA-N 0 3 298.372 -1.318 20 0 CAADHN Cn1cnnc1CCNC(=O)C1(S(N)(=O)=O)CC1 ZINC001417639780 890150937 /nfs/dbraw/zinc/15/09/37/890150937.db2.gz OPVFWNJZUXMLQC-UHFFFAOYSA-N 0 3 273.318 -1.705 20 0 CAADHN Cn1cnnc1CCNC(=O)CN1CCCS1(=O)=O ZINC001417639965 890150949 /nfs/dbraw/zinc/15/09/49/890150949.db2.gz UVUFRGPBUCKMSY-UHFFFAOYSA-N 0 3 287.345 -1.491 20 0 CAADHN COC(=O)c1ncoc1COCC(=O)NCCC(N)=O ZINC001417648654 890150983 /nfs/dbraw/zinc/15/09/83/890150983.db2.gz JSEDPDMNQLIEEP-UHFFFAOYSA-N 0 3 285.256 -1.031 20 0 CAADHN CCn1cnnc1CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001417639796 890150994 /nfs/dbraw/zinc/15/09/94/890150994.db2.gz PRZHPCCOQBBLHW-UHFFFAOYSA-N 0 3 292.299 -1.081 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@@H]1CCCNC1=O ZINC001417635838 890151050 /nfs/dbraw/zinc/15/10/50/890151050.db2.gz JDDICKVMSLACGG-VIFPVBQESA-N 0 3 271.317 -1.266 20 0 CAADHN CN(CCNS(C)(=O)=O)C(=O)CCn1cnnn1 ZINC001417640797 890151072 /nfs/dbraw/zinc/15/10/72/890151072.db2.gz MIERXGBYEBBUAP-UHFFFAOYSA-N 0 3 276.322 -1.929 20 0 CAADHN CC(=O)N1CCC(CNC(=O)CCNC(=O)CO)CC1 ZINC001417638480 890151239 /nfs/dbraw/zinc/15/12/39/890151239.db2.gz GLRHZMJIIIGFOT-UHFFFAOYSA-N 0 3 285.344 -1.140 20 0 CAADHN CN(C)CCn1nccc1C(=O)NCCC(=O)NC(N)=O ZINC001417661778 890152928 /nfs/dbraw/zinc/15/29/28/890152928.db2.gz RLRYDTOHWUVQMD-UHFFFAOYSA-N 0 3 296.331 -1.241 20 0 CAADHN COC[C@@H](NC(=O)c1ccnn1CCN(C)C)C(N)=O ZINC001417683110 890154943 /nfs/dbraw/zinc/15/49/43/890154943.db2.gz HSCFMMNTNXQFHB-SECBINFHSA-N 0 3 283.332 -1.325 20 0 CAADHN C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)[C@H](CNCC(N)=O)C1 ZINC001417813513 890171868 /nfs/dbraw/zinc/17/18/68/890171868.db2.gz KRAUZHRZKWZUOB-YTWAJWBKSA-N 0 3 296.371 -1.190 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](CO)CN(C)C ZINC001417771971 890171909 /nfs/dbraw/zinc/17/19/09/890171909.db2.gz DHFCFNWLQIQAQM-RKDXNWHRSA-N 0 3 299.335 -2.784 20 0 CAADHN Cn1nnc(C(=O)NCC(=O)NCCN2CCCCC2)n1 ZINC001417838488 890173568 /nfs/dbraw/zinc/17/35/68/890173568.db2.gz IQJVSYQCIVURPC-UHFFFAOYSA-N 0 3 295.347 -1.458 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001417850674 890173743 /nfs/dbraw/zinc/17/37/43/890173743.db2.gz UKYAPEHAHUZREF-BDAKNGLRSA-N 0 3 294.377 -2.389 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001417868332 890174136 /nfs/dbraw/zinc/17/41/36/890174136.db2.gz FQCWKZHNULRTLN-NSHDSACASA-N 0 3 287.341 -1.074 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@H]3CCC(=O)N3)C2)CC1 ZINC001417879903 890177078 /nfs/dbraw/zinc/17/70/78/890177078.db2.gz OBZFZOQHMOIYOM-GFCCVEGCSA-N 0 3 280.372 -1.029 20 0 CAADHN CCN1CCN(CCC(=O)N2C[C@H](CO)[C@H](O)C2)CC1 ZINC001417929873 890178942 /nfs/dbraw/zinc/17/89/42/890178942.db2.gz FIYGDRORVQLWFJ-CHWSQXEVSA-N 0 3 285.388 -1.174 20 0 CAADHN CN1CCO[C@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001417970514 890181300 /nfs/dbraw/zinc/18/13/00/890181300.db2.gz FNBZVMKNHJCRGQ-MNOVXSKESA-N 0 3 284.360 -1.713 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)C1 ZINC001417970510 890181654 /nfs/dbraw/zinc/18/16/54/890181654.db2.gz FNBZVMKNHJCRGQ-GHMZBOCLSA-N 0 3 284.360 -1.713 20 0 CAADHN Cn1cnn(CC(=O)NC[C@H](NCC(N)=O)C2CC2)c1=O ZINC001417981594 890182798 /nfs/dbraw/zinc/18/27/98/890182798.db2.gz GQIXTSPKGLBMDG-VIFPVBQESA-N 0 3 296.331 -2.449 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001417967168 890182931 /nfs/dbraw/zinc/18/29/31/890182931.db2.gz XUTNEYFSAXVDFA-SNVBAGLBSA-N 0 3 295.347 -1.754 20 0 CAADHN Cn1cccc(C(=O)NC[C@H](NCC(N)=O)C2CC2)c1=O ZINC001418010858 890184370 /nfs/dbraw/zinc/18/43/70/890184370.db2.gz RDZZBUPMXJSIOL-NSHDSACASA-N 0 3 292.339 -1.031 20 0 CAADHN CC(C)(C)C(=O)NCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001418045459 890184570 /nfs/dbraw/zinc/18/45/70/890184570.db2.gz YKAPAWMOODNEGS-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001418036250 890184664 /nfs/dbraw/zinc/18/46/64/890184664.db2.gz FBRNIZQNJUABPT-NSHDSACASA-N 0 3 284.360 -1.257 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001418036740 890184678 /nfs/dbraw/zinc/18/46/78/890184678.db2.gz WGKFVTYQYBEDHV-WDEREUQCSA-N 0 3 282.344 -1.456 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001418042509 890184737 /nfs/dbraw/zinc/18/47/37/890184737.db2.gz GMUJIVJOASTWNH-YUMQZZPRSA-N 0 3 292.361 -2.400 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001418037142 890184856 /nfs/dbraw/zinc/18/48/56/890184856.db2.gz FDKGURURJPTEMO-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CCNC(N)=O)C1CC1 ZINC001418012022 890185022 /nfs/dbraw/zinc/18/50/22/890185022.db2.gz KICWWYHSMIUDAE-QMMMGPOBSA-N 0 3 271.321 -1.986 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001418040346 890185485 /nfs/dbraw/zinc/18/54/85/890185485.db2.gz AZEYFXZYGUTRKZ-JTQLQIEISA-N 0 3 297.359 -1.662 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001418034742 890185705 /nfs/dbraw/zinc/18/57/05/890185705.db2.gz MBULGRNCKKANQF-LBPRGKRZSA-N 0 3 296.371 -1.065 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001418001169 890185962 /nfs/dbraw/zinc/18/59/62/890185962.db2.gz GHSVYGTVTGPWEI-NXEZZACHSA-N 0 3 292.343 -1.280 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001418042508 890186010 /nfs/dbraw/zinc/18/60/10/890186010.db2.gz GMUJIVJOASTWNH-SFYZADRCSA-N 0 3 292.361 -2.400 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001418037144 890186035 /nfs/dbraw/zinc/18/60/35/890186035.db2.gz FDKGURURJPTEMO-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cccn(C)c2=O)C1 ZINC001418046341 890186195 /nfs/dbraw/zinc/18/61/95/890186195.db2.gz QXDSDUAEYHQDPM-JTQLQIEISA-N 0 3 292.339 -1.065 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@@H]([NH2+][C@H]1CCNC1=O)C1CC1 ZINC001418001171 890186239 /nfs/dbraw/zinc/18/62/39/890186239.db2.gz GHSVYGTVTGPWEI-VHSXEESVSA-N 0 3 292.343 -1.280 20 0 CAADHN CC(C)(C(=O)N[C@H]1C[C@@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001418106319 890190364 /nfs/dbraw/zinc/19/03/64/890190364.db2.gz FFLMEHAJCAQQQM-OCAPTIKFSA-N 0 3 291.373 -1.468 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@H]1C[C@@H](NCC(N)=O)C1 ZINC001418112623 890190414 /nfs/dbraw/zinc/19/04/14/890190414.db2.gz QVCYVHATKDYRNB-DTORHVGOSA-N 0 3 291.373 -1.467 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCS(C)(=O)=O)C(N)=O ZINC001418241145 890199055 /nfs/dbraw/zinc/19/90/55/890199055.db2.gz YBIDZMUYOQCXTN-JGVFFNPUSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@@H](N[C@H]1C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)C1)C(N)=O ZINC001418098901 890190864 /nfs/dbraw/zinc/19/08/64/890190864.db2.gz VWVZTYDPXKGZCP-BGZDPUMWSA-N 0 3 291.373 -1.470 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)Cn1cnnn1 ZINC001418166052 890192337 /nfs/dbraw/zinc/19/23/37/890192337.db2.gz RTADYYCBGSEPBE-SECBINFHSA-N 0 3 281.320 -1.871 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1CNCC(N)=O ZINC001418166242 890194322 /nfs/dbraw/zinc/19/43/22/890194322.db2.gz WMPNAXRKMJSINX-DTWKUNHWSA-N 0 3 285.348 -1.501 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CN(C)CCO1)NCC(=O)N1CCC1 ZINC001418206254 890195412 /nfs/dbraw/zinc/19/54/12/890195412.db2.gz FSTLNZCPRRXGSQ-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cn[nH]c1 ZINC001418204290 890196012 /nfs/dbraw/zinc/19/60/12/890196012.db2.gz FBMSAROELYKPEE-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](C)N[C@H]2CCCNC2=O)C1 ZINC001418216781 890196245 /nfs/dbraw/zinc/19/62/45/890196245.db2.gz HENNCZFOXOZCRD-CABZTGNLSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CNC(=O)c1nccnc1N)N[C@H]1CCN(C)C1=O ZINC001418214810 890196296 /nfs/dbraw/zinc/19/62/96/890196296.db2.gz PBILTTCLXARBIE-BDAKNGLRSA-N 0 3 292.343 -1.003 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)NCC(=O)NC1CC1 ZINC001418200765 890196315 /nfs/dbraw/zinc/19/63/15/890196315.db2.gz JMWYJJUVYLWUFK-NXEZZACHSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)NCC(=O)N1CCC1 ZINC001418206256 890196330 /nfs/dbraw/zinc/19/63/30/890196330.db2.gz FSTLNZCPRRXGSQ-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN COCC(=O)NC[C@@H](C)NCC(=O)NC[C@@H]1CCOC1 ZINC001418195946 890196349 /nfs/dbraw/zinc/19/63/49/890196349.db2.gz HJUHOVOIZAYRDZ-MNOVXSKESA-N 0 3 287.360 -1.120 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)NCC(=O)NC1CC1 ZINC001418200774 890196367 /nfs/dbraw/zinc/19/63/67/890196367.db2.gz JMWYJJUVYLWUFK-ZJUUUORDSA-N 0 3 296.371 -1.115 20 0 CAADHN Cc1ncncc1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001418208519 890196442 /nfs/dbraw/zinc/19/64/42/890196442.db2.gz NUHYOQIYSVUHMF-SSDOTTSWSA-N 0 3 294.315 -1.312 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)CNC(C)=O ZINC001418197242 890196452 /nfs/dbraw/zinc/19/64/52/890196452.db2.gz SBUJCEKSQCQZHH-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN COCC(=O)NC[C@H](C)NCC(=O)NC[C@H]1CCOC1 ZINC001418195950 890196891 /nfs/dbraw/zinc/19/68/91/890196891.db2.gz HJUHOVOIZAYRDZ-WDEREUQCSA-N 0 3 287.360 -1.120 20 0 CAADHN C[C@H](CNC(=O)c1nccnc1N)N[C@@H]1CCN(C)C1=O ZINC001418214815 890196662 /nfs/dbraw/zinc/19/66/62/890196662.db2.gz PBILTTCLXARBIE-RKDXNWHRSA-N 0 3 292.343 -1.003 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CN(C)CCO1)NCC(=O)N1CCC1 ZINC001418206259 890196934 /nfs/dbraw/zinc/19/69/34/890196934.db2.gz FSTLNZCPRRXGSQ-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)NCC1CC1 ZINC001418216519 890196945 /nfs/dbraw/zinc/19/69/45/890196945.db2.gz CHRGYQDDGKCMCJ-PSASIEDQSA-N 0 3 298.343 -1.285 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)CNC(C)=O ZINC001418197241 890197540 /nfs/dbraw/zinc/19/75/40/890197540.db2.gz SBUJCEKSQCQZHH-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN C[C@@H](CNC(=O)c1nccnc1N)N[C@@H]1CCN(C)C1=O ZINC001418214812 890197563 /nfs/dbraw/zinc/19/75/63/890197563.db2.gz PBILTTCLXARBIE-DTWKUNHWSA-N 0 3 292.343 -1.003 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](C)N[C@@H]2CCCNC2=O)C1 ZINC001418217060 890198811 /nfs/dbraw/zinc/19/88/11/890198811.db2.gz HENNCZFOXOZCRD-JOYOIKCWSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C[C@@H]1CCN(C)C1=O ZINC001418237982 890198836 /nfs/dbraw/zinc/19/88/36/890198836.db2.gz QCCGCPHYHNLWFI-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)C[C@H]1CCN(C)C1=O ZINC001418237979 890199020 /nfs/dbraw/zinc/19/90/20/890199020.db2.gz QCCGCPHYHNLWFI-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CCn1ccnn1 ZINC001418220601 890199107 /nfs/dbraw/zinc/19/91/07/890199107.db2.gz YEFDNUFQUGYIIX-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cn(C)nn1 ZINC001418227543 890199113 /nfs/dbraw/zinc/19/91/13/890199113.db2.gz NUMPCFKYBPODAR-ZETCQYMHSA-N 0 3 297.319 -2.021 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)COCc1nccn1C)C(N)=O ZINC001418240183 890199326 /nfs/dbraw/zinc/19/93/26/890199326.db2.gz YDDFMHGXVJMMRR-VHSXEESVSA-N 0 3 297.359 -1.095 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001418240461 890199341 /nfs/dbraw/zinc/19/93/41/890199341.db2.gz ZIFCXJBVMKDVKQ-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001418240460 890199381 /nfs/dbraw/zinc/19/93/81/890199381.db2.gz ZIFCXJBVMKDVKQ-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)NCC(=O)NC(C)(C)C ZINC001418225919 890199452 /nfs/dbraw/zinc/19/94/52/890199452.db2.gz JOIGWAAERNAFKO-VIFPVBQESA-N 0 3 297.363 -1.318 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccn(C)c(=O)c1 ZINC001418239973 890199524 /nfs/dbraw/zinc/19/95/24/890199524.db2.gz UQBJSUUOGJMOAC-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1CCN(C)C1=O)NCC(N)=O ZINC001418236170 890199609 /nfs/dbraw/zinc/19/96/09/890199609.db2.gz LJQKWCACDWYATA-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001418231532 890199655 /nfs/dbraw/zinc/19/96/55/890199655.db2.gz ZNSXGHPPXJXTQP-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccn(C)c(=O)c1 ZINC001418239974 890200108 /nfs/dbraw/zinc/20/01/08/890200108.db2.gz UQBJSUUOGJMOAC-VIFPVBQESA-N 0 3 280.328 -1.161 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)Cn1ncnn1 ZINC001418227339 890200295 /nfs/dbraw/zinc/20/02/95/890200295.db2.gz OFETUKJTMUMROA-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN C[C@H](CNC(=O)COCc1nccn1C)N[C@H](C)C(N)=O ZINC001418240180 890200555 /nfs/dbraw/zinc/20/05/55/890200555.db2.gz YDDFMHGXVJMMRR-NXEZZACHSA-N 0 3 297.359 -1.095 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CCn1ccnn1 ZINC001418220599 890200761 /nfs/dbraw/zinc/20/07/61/890200761.db2.gz YEFDNUFQUGYIIX-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN C[C@@H](CNC(=O)CCS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001418241152 890201075 /nfs/dbraw/zinc/20/10/75/890201075.db2.gz YBIDZMUYOQCXTN-YUMQZZPRSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N1CCCC1 ZINC001418262579 890201701 /nfs/dbraw/zinc/20/17/01/890201701.db2.gz GHEIMQASKNQKFV-VHSXEESVSA-N 0 3 297.359 -1.616 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001418248022 890201842 /nfs/dbraw/zinc/20/18/42/890201842.db2.gz RCZNATOBKILQKO-DTWKUNHWSA-N 0 3 295.343 -1.248 20 0 CAADHN C[C@H](CNC(=O)Cc1cnoc1)N[C@@H](C)C(=O)NC(N)=O ZINC001418273065 890202714 /nfs/dbraw/zinc/20/27/14/890202714.db2.gz SQYRFPMPCWJWDS-SFYZADRCSA-N 0 3 297.315 -1.105 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001418265159 890203008 /nfs/dbraw/zinc/20/30/08/890203008.db2.gz WQHAYCYQKSHZPJ-UWVGGRQHSA-N 0 3 299.375 -2.224 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@H]1CCCNC1=O ZINC001418273497 890203060 /nfs/dbraw/zinc/20/30/60/890203060.db2.gz YOBGHKUDGWQCEA-SFYZADRCSA-N 0 3 281.320 -1.803 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCCC1=O)NCC(N)=O ZINC001418242747 890203941 /nfs/dbraw/zinc/20/39/41/890203941.db2.gz JYTUXAXMQZUZNJ-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001418261197 890203362 /nfs/dbraw/zinc/20/33/62/890203362.db2.gz AJHDYCPEZLWCHJ-DTWKUNHWSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCc2nncn2CC1)NCC(N)=O ZINC001418259569 890203540 /nfs/dbraw/zinc/20/35/40/890203540.db2.gz XRVYCBAVOSBVHN-NXEZZACHSA-N 0 3 294.359 -1.190 20 0 CAADHN C[C@@H](CNC(=O)c1cn2c(n1)COCC2)NCC(N)=O ZINC001418242209 890203733 /nfs/dbraw/zinc/20/37/33/890203733.db2.gz GGUHUSQHNZHUAG-QMMMGPOBSA-N 0 3 281.316 -1.394 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NCc1cncn1C ZINC001418263542 890204032 /nfs/dbraw/zinc/20/40/32/890204032.db2.gz HUWINYLFJCWAMW-SCZZXKLOSA-N 0 3 280.332 -1.304 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)NCC(=O)N(C)C ZINC001418261297 890204094 /nfs/dbraw/zinc/20/40/94/890204094.db2.gz KZOLWCANZCTZSN-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)N[C@@H]1CCNC1=O ZINC001418267033 890204158 /nfs/dbraw/zinc/20/41/58/890204158.db2.gz KRSJORDFUTVOQX-HTQZYQBOSA-N 0 3 281.316 -1.278 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001418264218 890204210 /nfs/dbraw/zinc/20/42/10/890204210.db2.gz JVBAEMFOKLLXFK-NOZJJQNGSA-N 0 3 284.360 -1.257 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001418261198 890204563 /nfs/dbraw/zinc/20/45/63/890204563.db2.gz AJHDYCPEZLWCHJ-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@H](CNC(=O)Cc1cnoc1)NCC(=O)NC(N)=O ZINC001418272059 890204590 /nfs/dbraw/zinc/20/45/90/890204590.db2.gz QZAQDUPVBMIDBG-SSDOTTSWSA-N 0 3 283.288 -1.494 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N1CCCC1 ZINC001418262573 890204825 /nfs/dbraw/zinc/20/48/25/890204825.db2.gz GHEIMQASKNQKFV-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)NCc1cnn(C)c1 ZINC001418267792 890205135 /nfs/dbraw/zinc/20/51/35/890205135.db2.gz OHQNDRALBGOSPQ-MRVPVSSYSA-N 0 3 278.320 -1.148 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001418264229 890205247 /nfs/dbraw/zinc/20/52/47/890205247.db2.gz JVBAEMFOKLLXFK-TVQRCGJNSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)Cn1ncn(C)c1=O ZINC001418256389 890205419 /nfs/dbraw/zinc/20/54/19/890205419.db2.gz ZIHMLNXDUVOUCZ-RKDXNWHRSA-N 0 3 298.347 -2.189 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cn(C)nc1OC ZINC001418265592 890205575 /nfs/dbraw/zinc/20/55/75/890205575.db2.gz XFYAVMLMQMCJOG-MRVPVSSYSA-N 0 3 283.332 -1.117 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001418244022 890205625 /nfs/dbraw/zinc/20/56/25/890205625.db2.gz RASOVTROVOGCPN-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCc1cncn1C ZINC001418263529 890205734 /nfs/dbraw/zinc/20/57/34/890205734.db2.gz HUWINYLFJCWAMW-PSASIEDQSA-N 0 3 280.332 -1.304 20 0 CAADHN CCCN1C[C@H](C(=O)NC[C@@H](C)NCC(N)=O)CC1=O ZINC001418285239 890206307 /nfs/dbraw/zinc/20/63/07/890206307.db2.gz SPJDXLTXOYQJMN-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CCn1cnccc1=O ZINC001418302454 890206624 /nfs/dbraw/zinc/20/66/24/890206624.db2.gz IUASZPRYRYHUFP-SNVBAGLBSA-N 0 3 295.343 -1.526 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCC(=O)N1C ZINC001418275768 890206867 /nfs/dbraw/zinc/20/68/67/890206867.db2.gz YYJQUKPJOPJMDS-DTWKUNHWSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)NCC(N)=O ZINC001418310713 890206936 /nfs/dbraw/zinc/20/69/36/890206936.db2.gz WJZYSUPIWOBWIR-ZETCQYMHSA-N 0 3 280.350 -2.543 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001418291790 890207142 /nfs/dbraw/zinc/20/71/42/890207142.db2.gz NXKHVRZVYDBNKH-SCZZXKLOSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)NCC(=O)N1CCCC1 ZINC001418308337 890207196 /nfs/dbraw/zinc/20/71/96/890207196.db2.gz OCFDNFKATHYWDY-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CCOCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001418324575 890207346 /nfs/dbraw/zinc/20/73/46/890207346.db2.gz GZNCTWJSKRGHCC-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@@H](CNC(=O)CCn1cnnn1)N[C@H]1CCN(C)C1=O ZINC001418292514 890207466 /nfs/dbraw/zinc/20/74/66/890207466.db2.gz VVUUIVSAIXRTJY-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001418278552 890207535 /nfs/dbraw/zinc/20/75/35/890207535.db2.gz WXBLEYWGBWSHER-WDEREUQCSA-N 0 3 298.343 -2.484 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)NCC(=O)NC1CC1 ZINC001418309471 890207572 /nfs/dbraw/zinc/20/75/72/890207572.db2.gz VMTUQZNSZNMMHU-VIFPVBQESA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@H](CNC(=O)CCNC(=O)c1ccco1)NCC(N)=O ZINC001418305409 890207610 /nfs/dbraw/zinc/20/76/10/890207610.db2.gz BRDWTVIBXZCRCI-SECBINFHSA-N 0 3 296.327 -1.021 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)NCC(=O)NC1CC1 ZINC001418309469 890208041 /nfs/dbraw/zinc/20/80/41/890208041.db2.gz VMTUQZNSZNMMHU-SECBINFHSA-N 0 3 280.332 -1.349 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001418291793 890208150 /nfs/dbraw/zinc/20/81/50/890208150.db2.gz NXKHVRZVYDBNKH-WPRPVWTQSA-N 0 3 284.360 -1.116 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1cnn(C)n1 ZINC001418290538 890208201 /nfs/dbraw/zinc/20/82/01/890208201.db2.gz USVLBWBZJRUSPD-SSDOTTSWSA-N 0 3 297.319 -2.021 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CNC(=O)C(C)(C)C ZINC001418325747 890208306 /nfs/dbraw/zinc/20/83/06/890208306.db2.gz XJGVSMRATBQYOY-VIFPVBQESA-N 0 3 286.376 -1.011 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CCn1cnccc1=O ZINC001418302441 890208765 /nfs/dbraw/zinc/20/87/65/890208765.db2.gz IUASZPRYRYHUFP-JTQLQIEISA-N 0 3 295.343 -1.526 20 0 CAADHN CCS(=O)(=O)NCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001418325808 890208799 /nfs/dbraw/zinc/20/87/99/890208799.db2.gz IXLOIZPOPMMFLG-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN CCN(C)C(=O)C[NH2+][C@H](C)CNC(=O)Cc1nnc[n-]1 ZINC001418297800 890208916 /nfs/dbraw/zinc/20/89/16/890208916.db2.gz VWHZYYXVVPXIDS-SECBINFHSA-N 0 3 282.348 -1.080 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)NC1CC1 ZINC001418326363 890209173 /nfs/dbraw/zinc/20/91/73/890209173.db2.gz PXIBZHWTTDFJBJ-WDEREUQCSA-N 0 3 294.355 -1.266 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001418323413 890210127 /nfs/dbraw/zinc/21/01/27/890210127.db2.gz OQJBPWJPPMGNSN-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@@H](CNC(=O)CCCC(N)=O)N[C@H]1CCNC1=O ZINC001418319935 890210093 /nfs/dbraw/zinc/21/00/93/890210093.db2.gz GJAFHBQYZKUCTF-IUCAKERBSA-N 0 3 270.333 -1.375 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001418324370 890210352 /nfs/dbraw/zinc/21/03/52/890210352.db2.gz FBGQRYBEJJVVNP-JTQLQIEISA-N 0 3 282.344 -1.455 20 0 CAADHN C[C@@H](CNC(=O)CCS(=O)(=O)N(C)C)NCC(N)=O ZINC001418315060 890210630 /nfs/dbraw/zinc/21/06/30/890210630.db2.gz WBMZKBQDCGRHJU-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001418327785 890211793 /nfs/dbraw/zinc/21/17/93/890211793.db2.gz ZUXSLYMMGOYDCA-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001418333202 890213595 /nfs/dbraw/zinc/21/35/95/890213595.db2.gz YXHQABNSUABECX-JTQLQIEISA-N 0 3 297.359 -1.486 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)C1 ZINC001418327757 890214373 /nfs/dbraw/zinc/21/43/73/890214373.db2.gz OUHZBEBXYPYRLP-LBPRGKRZSA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001418334527 890214469 /nfs/dbraw/zinc/21/44/69/890214469.db2.gz FHAXZAJUWBGETA-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)NC(=O)CN(C)CCNC(=O)[C@@H]1CCCN1C ZINC001418448322 890222696 /nfs/dbraw/zinc/22/26/96/890222696.db2.gz LHPJPKBWFCGMSJ-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN(C)C[C@H](C)O ZINC001418470454 890225240 /nfs/dbraw/zinc/22/52/40/890225240.db2.gz LODTZCXIODZRKJ-VIFPVBQESA-N 0 3 288.348 -2.333 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001418472878 890225944 /nfs/dbraw/zinc/22/59/44/890225944.db2.gz SLPJVOIDNMINQG-ZJUUUORDSA-N 0 3 297.359 -1.025 20 0 CAADHN CNC(=O)[C@@H](C)N(C)CCNC(=O)CCc1cnn[nH]1 ZINC001418495258 890227742 /nfs/dbraw/zinc/22/77/42/890227742.db2.gz LAOBZCXEVCZHEG-SECBINFHSA-N 0 3 282.348 -1.080 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001418472876 890230107 /nfs/dbraw/zinc/23/01/07/890230107.db2.gz SLPJVOIDNMINQG-VHSXEESVSA-N 0 3 297.359 -1.025 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CCC(=O)N1C ZINC001418489546 890230164 /nfs/dbraw/zinc/23/01/64/890230164.db2.gz HTWFETTZFXDGBK-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1cc(=O)n(C)cn1 ZINC001418470245 890230323 /nfs/dbraw/zinc/23/03/23/890230323.db2.gz MARFMRGXPHLZKX-SNVBAGLBSA-N 0 3 298.343 -1.551 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)COCc1nncn1C ZINC001418508559 890232966 /nfs/dbraw/zinc/23/29/66/890232966.db2.gz NRXXLWLQOWAVBH-SNVBAGLBSA-N 0 3 285.348 -1.240 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001418504049 890233467 /nfs/dbraw/zinc/23/34/67/890233467.db2.gz PEEKIXFUIYORGC-SECBINFHSA-N 0 3 298.343 -1.874 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)COCc1nncn1C ZINC001418508557 890233611 /nfs/dbraw/zinc/23/36/11/890233611.db2.gz NRXXLWLQOWAVBH-JTQLQIEISA-N 0 3 285.348 -1.240 20 0 CAADHN CN(CCCO)CCNC(=O)CN1CCC(=O)NC1=O ZINC001418515854 890234105 /nfs/dbraw/zinc/23/41/05/890234105.db2.gz LMNCVSBZPGASCC-UHFFFAOYSA-N 0 3 286.332 -1.641 20 0 CAADHN COC[C@H](C)N(C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001418516926 890235615 /nfs/dbraw/zinc/23/56/15/890235615.db2.gz RWSLCLCVUALGQY-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN CCN(CCNC(=O)c1cnnn1C)C[C@@H](O)COC ZINC001418543737 890239633 /nfs/dbraw/zinc/23/96/33/890239633.db2.gz XTEQZMIPMGKVBV-SNVBAGLBSA-N 0 3 285.348 -1.126 20 0 CAADHN CCCN(C)CC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001418594024 890243856 /nfs/dbraw/zinc/24/38/56/890243856.db2.gz SYHZYHUPJJXEGO-IUCAKERBSA-N 0 3 270.333 -1.627 20 0 CAADHN CCCN1CC[C@@H]1CN(C)C(=O)CNS(=O)(=O)NC ZINC001418581918 890245855 /nfs/dbraw/zinc/24/58/55/890245855.db2.gz GZGRVUTZCLQXOL-SNVBAGLBSA-N 0 3 292.405 -1.017 20 0 CAADHN COC[C@H](O)CN1CCC[C@H]1CNC(=O)Cn1cncn1 ZINC001418633567 890249798 /nfs/dbraw/zinc/24/97/98/890249798.db2.gz IFEWMRYCANHADI-NWDGAFQWSA-N 0 3 297.359 -1.134 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@@H]1CCCN1CCO ZINC001418622334 890250042 /nfs/dbraw/zinc/25/00/42/890250042.db2.gz OJCJGOREMCNWRN-VIFPVBQESA-N 0 3 294.377 -2.387 20 0 CAADHN O=C(Cc1nc[nH]n1)NC[C@@H]1CCN([C@@H]2CCNC2=O)C1 ZINC001418683134 890254250 /nfs/dbraw/zinc/25/42/50/890254250.db2.gz NYDHZKSWIFKRNY-VHSXEESVSA-N 0 3 292.343 -1.326 20 0 CAADHN C[C@H](C(=O)N(C)CCN[C@H]1CCNC1=O)n1cncn1 ZINC001418807891 890260165 /nfs/dbraw/zinc/26/01/65/890260165.db2.gz PXHZCIMJUDUNJK-ZJUUUORDSA-N 0 3 280.332 -1.224 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001418810696 890261692 /nfs/dbraw/zinc/26/16/92/890261692.db2.gz FDSCLSQNCMHKKD-RKDXNWHRSA-N 0 3 288.348 -1.365 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN1CCCNC1=O)C(N)=O ZINC001418807856 890262224 /nfs/dbraw/zinc/26/22/24/890262224.db2.gz CKWAFCNCHWVJGA-SECBINFHSA-N 0 3 285.348 -1.677 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001418787304 890262371 /nfs/dbraw/zinc/26/23/71/890262371.db2.gz CUMNCDXTLDAOIY-JTQLQIEISA-N 0 3 283.332 -1.304 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001418787311 890262649 /nfs/dbraw/zinc/26/26/49/890262649.db2.gz CUMNCDXTLDAOIY-SNVBAGLBSA-N 0 3 283.332 -1.304 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001418806390 890262839 /nfs/dbraw/zinc/26/28/39/890262839.db2.gz BPCKIFFPPOIXKI-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)C[C@H]1CCNC1=O ZINC001418804626 890262871 /nfs/dbraw/zinc/26/28/71/890262871.db2.gz BRDSFLXSHDUDCG-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CC(C)[C@@H](O)C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001418810674 890262990 /nfs/dbraw/zinc/26/29/90/890262990.db2.gz FDSCLSQNCMHKKD-DTWKUNHWSA-N 0 3 288.348 -1.365 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)[C@H]1C ZINC001418820533 890264224 /nfs/dbraw/zinc/26/42/24/890264224.db2.gz NKQVLUFPDXCPLZ-WYUUTHIRSA-N 0 3 299.371 -1.149 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1cncn1)C(=O)NC1CC1 ZINC001418831278 890264250 /nfs/dbraw/zinc/26/42/50/890264250.db2.gz PLXKKKZFGKSMLV-JTQLQIEISA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@@H]1CCC(=O)N1)C(N)=O ZINC001418832437 890264322 /nfs/dbraw/zinc/26/43/22/890264322.db2.gz OELBSPYCFCLXLS-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1c[nH]c(=O)n1C ZINC001418831931 890264375 /nfs/dbraw/zinc/26/43/75/890264375.db2.gz UVRVTQIOJSAAQC-QMMMGPOBSA-N 0 3 281.316 -1.324 20 0 CAADHN COC[C@@H](OC)C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001418824575 890264737 /nfs/dbraw/zinc/26/47/37/890264737.db2.gz WUNLZQYDPFGZSS-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cnn(C)c1N ZINC001418811865 890264909 /nfs/dbraw/zinc/26/49/09/890264909.db2.gz ZVWPFFHLHQFHNH-SECBINFHSA-N 0 3 280.332 -1.448 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001418837600 890265156 /nfs/dbraw/zinc/26/51/56/890265156.db2.gz DGUDICGKSZALPR-UWVGGRQHSA-N 0 3 282.344 -1.456 20 0 CAADHN COC[C@@H](OC)C(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001418824554 890265531 /nfs/dbraw/zinc/26/55/31/890265531.db2.gz WUNLZQYDPFGZSS-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cc1cnc[nH]1)C(=O)NC(N)=O ZINC001418819150 890265592 /nfs/dbraw/zinc/26/55/92/890265592.db2.gz KVEQAOHNMLKIHZ-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN CO[C@@H](C)C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001418818012 890265614 /nfs/dbraw/zinc/26/56/14/890265614.db2.gz TYXYQXYRRQQRCR-YUMQZZPRSA-N 0 3 274.321 -1.347 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)c1cnn(C)n1 ZINC001418837252 890265657 /nfs/dbraw/zinc/26/56/57/890265657.db2.gz ZSGQHGNVTVOKCQ-VIFPVBQESA-N 0 3 280.332 -1.293 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001418834971 890265830 /nfs/dbraw/zinc/26/58/30/890265830.db2.gz SFNBMLBEZJUUIE-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cn(C)ccc1=O)C(N)=O ZINC001418816325 890265857 /nfs/dbraw/zinc/26/58/57/890265857.db2.gz XWWCXWSXCOFCJK-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN CO[C@H](C)C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001418817997 890266109 /nfs/dbraw/zinc/26/61/09/890266109.db2.gz TYXYQXYRRQQRCR-HTQZYQBOSA-N 0 3 274.321 -1.347 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1cnnn1)C(=O)NC1CC1 ZINC001418814332 890266126 /nfs/dbraw/zinc/26/61/26/890266126.db2.gz QWJAYFKRWAIKQT-VIFPVBQESA-N 0 3 295.347 -1.612 20 0 CAADHN COC[C@H](C)C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001418819824 890266207 /nfs/dbraw/zinc/26/62/07/890266207.db2.gz ZWJYHMXDWYTMEA-IUCAKERBSA-N 0 3 288.348 -1.100 20 0 CAADHN Cc1nonc1CC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001418830055 890266267 /nfs/dbraw/zinc/26/62/67/890266267.db2.gz NXAQAPNGZNWOFJ-VIFPVBQESA-N 0 3 281.316 -1.143 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CCCC(N)=O ZINC001418839591 890266551 /nfs/dbraw/zinc/26/65/51/890266551.db2.gz VAJRBSKSJSUWGE-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CCS(C)(=O)=O ZINC001418824543 890266725 /nfs/dbraw/zinc/26/67/25/890266725.db2.gz QMNQHBDFDGFMFJ-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CCNC(N)=O ZINC001418832870 890266757 /nfs/dbraw/zinc/26/67/57/890266757.db2.gz QZCHJTPYHOHCLX-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cnn(C)n1)C(=O)NC(N)=O ZINC001418832825 890266842 /nfs/dbraw/zinc/26/68/42/890266842.db2.gz PCETVFVFIHZBMK-SSDOTTSWSA-N 0 3 297.319 -1.940 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001418810864 890267445 /nfs/dbraw/zinc/26/74/45/890267445.db2.gz LVHKLFIWQMKLSN-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CCCC(N)=O ZINC001418839590 890267532 /nfs/dbraw/zinc/26/75/32/890267532.db2.gz VAJRBSKSJSUWGE-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1c[nH]c(=O)n1C ZINC001418831923 890267647 /nfs/dbraw/zinc/26/76/47/890267647.db2.gz UVRVTQIOJSAAQC-MRVPVSSYSA-N 0 3 281.316 -1.324 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)c1cn(C)nn1 ZINC001418815469 890267926 /nfs/dbraw/zinc/26/79/26/890267926.db2.gz NVVFYFILCYBUQK-VIFPVBQESA-N 0 3 280.332 -1.293 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001418843249 890267960 /nfs/dbraw/zinc/26/79/60/890267960.db2.gz YCSPQFOCMRYKFQ-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CS(=O)(=O)NCCC(=O)N[C@H]1CCN(CCO)C1 ZINC001419154461 890308678 /nfs/dbraw/zinc/30/86/78/890308678.db2.gz BWRCVCCWEZUECR-VIFPVBQESA-N 0 3 279.362 -1.892 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001418895585 890271021 /nfs/dbraw/zinc/27/10/21/890271021.db2.gz ADDOXYGYLMUXOY-RKDXNWHRSA-N 0 3 295.347 -1.474 20 0 CAADHN CNC(=O)CNC1CC(CNC(=O)CS(C)(=O)=O)C1 ZINC001418856563 890272745 /nfs/dbraw/zinc/27/27/45/890272745.db2.gz CEIDKVCTZBPCSH-UHFFFAOYSA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CN2CCCNC2=O)C1 ZINC001419027434 890288761 /nfs/dbraw/zinc/28/87/61/890288761.db2.gz ZLTSCWQTPNCZLS-JTQLQIEISA-N 0 3 284.360 -1.170 20 0 CAADHN CCN1CC(CNC(=O)CNC(=O)CNC(C)=O)C1 ZINC001419022900 890289037 /nfs/dbraw/zinc/28/90/37/890289037.db2.gz AMGJLASSYGLGDS-UHFFFAOYSA-N 0 3 270.333 -1.693 20 0 CAADHN O=C(CN1CCCNC1=O)NCC1CN(CCCO)C1 ZINC001419027296 890289087 /nfs/dbraw/zinc/28/90/87/890289087.db2.gz YRPIJMGXYJEMAY-UHFFFAOYSA-N 0 3 284.360 -1.168 20 0 CAADHN COC[C@H](C)N1CC(CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001419023911 890290077 /nfs/dbraw/zinc/29/00/77/890290077.db2.gz LFPLPLRSOKZPJA-JTQLQIEISA-N 0 3 297.359 -1.335 20 0 CAADHN CNS(=O)(=O)CC(=O)NCC1CN(C[C@H](C)OC)C1 ZINC001419036668 890291448 /nfs/dbraw/zinc/29/14/48/890291448.db2.gz CMAJQGIYPSVWOA-VIFPVBQESA-N 0 3 293.389 -1.382 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCC1CN(C[C@H](C)O)C1 ZINC001419019794 890291954 /nfs/dbraw/zinc/29/19/54/890291954.db2.gz PKLHMKKYSBNQJJ-VIFPVBQESA-N 0 3 293.389 -1.646 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CN2CCOCC2)C1 ZINC001419018735 890291986 /nfs/dbraw/zinc/29/19/86/890291986.db2.gz VVOQNXWQXNONBK-NSHDSACASA-N 0 3 271.361 -1.253 20 0 CAADHN COC[C@@H](O)C[NH+]1CC(CNC(=O)c2[n-]nnc2C)C1 ZINC001419024067 890292041 /nfs/dbraw/zinc/29/20/41/890292041.db2.gz PKAMMHTWNQWKII-JTQLQIEISA-N 0 3 283.332 -1.218 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001419062106 890296650 /nfs/dbraw/zinc/29/66/50/890296650.db2.gz IHYMWGWNNQJGDP-IVZWLZJFSA-N 0 3 286.332 -2.134 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001419074352 890298554 /nfs/dbraw/zinc/29/85/54/890298554.db2.gz BQNLTISIXQXLJT-NXEZZACHSA-N 0 3 295.347 -1.482 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)c1nnn(C)n1 ZINC001419080806 890299854 /nfs/dbraw/zinc/29/98/54/890299854.db2.gz NZPHITNNQIKVHN-BDAKNGLRSA-N 0 3 295.347 -1.332 20 0 CAADHN CCCN1CCN(CCNC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001419140595 890303997 /nfs/dbraw/zinc/30/39/97/890303997.db2.gz QIKLGUAXKYNTPM-NSHDSACASA-N 0 3 283.376 -1.188 20 0 CAADHN CCN(C(=O)[C@H](C)NC(N)=O)[C@@H]1CCN(CCO)C1 ZINC001419145150 890305789 /nfs/dbraw/zinc/30/57/89/890305789.db2.gz BIFXBLOTAAZWHO-VHSXEESVSA-N 0 3 272.349 -1.042 20 0 CAADHN CN(CC(=O)N(C)[C@H]1CCN(CCO)C1)S(C)(=O)=O ZINC001419115541 890307239 /nfs/dbraw/zinc/30/72/39/890307239.db2.gz OMEZEHFBBCLJQZ-JTQLQIEISA-N 0 3 293.389 -1.597 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001419209947 890308622 /nfs/dbraw/zinc/30/86/22/890308622.db2.gz MCOBAASKPDYVHA-NXEZZACHSA-N 0 3 293.331 -1.954 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001419158707 890308823 /nfs/dbraw/zinc/30/88/23/890308823.db2.gz GNSICIVKTPEJAI-IJLUTSLNSA-N 0 3 299.371 -1.147 20 0 CAADHN CC[C@H](CNC(=O)C1CN(C(C)=O)C1)N[C@H]1CCNC1=O ZINC001419188312 890309226 /nfs/dbraw/zinc/30/92/26/890309226.db2.gz XLLXOPMRPIHEBZ-NEPJUHHUSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CNC(C)=O)C1CC1 ZINC001419204729 890310223 /nfs/dbraw/zinc/31/02/23/890310223.db2.gz AMLXSRAWOSRIDR-SNVBAGLBSA-N 0 3 270.333 -1.647 20 0 CAADHN NC(=O)NC(=O)CN[C@@H](CNC(=O)[C@H]1CCCO1)C1CC1 ZINC001419205059 890310760 /nfs/dbraw/zinc/31/07/60/890310760.db2.gz FHSYFMZDVJSXJR-VHSXEESVSA-N 0 3 298.343 -1.155 20 0 CAADHN CC[C@H](CNC(=O)CN(C)C(=O)C1CC1)NCC(N)=O ZINC001419199946 890311267 /nfs/dbraw/zinc/31/12/67/890311267.db2.gz NZIGSPMCTMOYBG-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)N[C@H](C)C(=O)NC ZINC001419198997 890311927 /nfs/dbraw/zinc/31/19/27/890311927.db2.gz MHJRFRWMDVYBCY-RKDXNWHRSA-N 0 3 287.364 -1.466 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)N[C@@H](C)C(=O)NC ZINC001419198993 890312050 /nfs/dbraw/zinc/31/20/50/890312050.db2.gz MHJRFRWMDVYBCY-DTWKUNHWSA-N 0 3 287.364 -1.466 20 0 CAADHN CC[C@@H](CNC(=O)CC(C)(C)O)NCC(=O)NC(N)=O ZINC001419179373 890312541 /nfs/dbraw/zinc/31/25/41/890312541.db2.gz FQTHGJKINNQGFW-QMMMGPOBSA-N 0 3 288.348 -1.173 20 0 CAADHN CC[C@H](CNC(=O)CC(C)(C)O)NCC(=O)NC(N)=O ZINC001419179371 890312864 /nfs/dbraw/zinc/31/28/64/890312864.db2.gz FQTHGJKINNQGFW-MRVPVSSYSA-N 0 3 288.348 -1.173 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)NCC(=O)N1CCC1 ZINC001419200630 890313116 /nfs/dbraw/zinc/31/31/16/890313116.db2.gz RADLHTQBRXAENW-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN NC(=O)NC(=O)CN[C@@H](CNC(=O)c1cnco1)C1CC1 ZINC001419277086 890313878 /nfs/dbraw/zinc/31/38/78/890313878.db2.gz MWKGNCJMBKNOCB-QMMMGPOBSA-N 0 3 295.299 -1.033 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001419209962 890314101 /nfs/dbraw/zinc/31/41/01/890314101.db2.gz MCOBAASKPDYVHA-UWVGGRQHSA-N 0 3 293.331 -1.954 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001419273041 890315402 /nfs/dbraw/zinc/31/54/02/890315402.db2.gz RTRZQDIJITXNOH-ZJUUUORDSA-N 0 3 298.343 -1.285 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)NCC(=O)N1CCC1 ZINC001419222028 890315476 /nfs/dbraw/zinc/31/54/76/890315476.db2.gz KCINKJCRDKGIJL-VIFPVBQESA-N 0 3 295.347 -1.460 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)CCCC(N)=O)C1 ZINC001419211109 890315536 /nfs/dbraw/zinc/31/55/36/890315536.db2.gz HUACASKWDKLYKW-QWRGUYRKSA-N 0 3 287.360 -1.160 20 0 CAADHN NC(=O)NC(=O)CN[C@H](CNC(=O)c1cnco1)C1CC1 ZINC001419277084 890315840 /nfs/dbraw/zinc/31/58/40/890315840.db2.gz MWKGNCJMBKNOCB-MRVPVSSYSA-N 0 3 295.299 -1.033 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCS(=O)(=O)N1)NCC(N)=O ZINC001419278520 890316013 /nfs/dbraw/zinc/31/60/13/890316013.db2.gz FEWDOFUQLJYCML-HTQZYQBOSA-N 0 3 292.361 -2.352 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001419273027 890316357 /nfs/dbraw/zinc/31/63/57/890316357.db2.gz RTRZQDIJITXNOH-UWVGGRQHSA-N 0 3 298.343 -1.285 20 0 CAADHN C[C@@H](N[C@@H](CNC(=O)CNC(=O)C1CC1)C1CC1)C(N)=O ZINC001419236605 890316940 /nfs/dbraw/zinc/31/69/40/890316940.db2.gz OLLLIIBSPPJOIV-KCJUWKMLSA-N 0 3 296.371 -1.129 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC001419242250 890317129 /nfs/dbraw/zinc/31/71/29/890317129.db2.gz HRBXEDWFEGOONJ-NWDGAFQWSA-N 0 3 298.387 -1.453 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001419217303 890317428 /nfs/dbraw/zinc/31/74/28/890317428.db2.gz VHFSATIZFINCRS-GHMZBOCLSA-N 0 3 282.344 -1.505 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001419239302 890317578 /nfs/dbraw/zinc/31/75/78/890317578.db2.gz LMFBRRUXKURLNN-NXEZZACHSA-N 0 3 282.344 -1.518 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001419333261 890318333 /nfs/dbraw/zinc/31/83/33/890318333.db2.gz ZZDZTVYBFAHQMC-SECBINFHSA-N 0 3 291.373 -1.609 20 0 CAADHN CS(=O)(=O)CC(=O)NC1(CNCC(N)=O)CCCC1 ZINC001419298594 890318364 /nfs/dbraw/zinc/31/83/64/890318364.db2.gz QHOAUAPCMRWEDK-UHFFFAOYSA-N 0 3 291.373 -1.465 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC2CC2)C1 ZINC001419352957 890318616 /nfs/dbraw/zinc/31/86/16/890318616.db2.gz NBNVOFORZHYBLL-NSHDSACASA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)[C@H](C)[NH2+][C@@H](CNC(=O)Cc1nnc[n-]1)C1CC1 ZINC001419311605 890318853 /nfs/dbraw/zinc/31/88/53/890318853.db2.gz NHVYUPQRAWEHBM-WPRPVWTQSA-N 0 3 294.359 -1.034 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)n1 ZINC001419381765 890319079 /nfs/dbraw/zinc/31/90/79/890319079.db2.gz IJGSFHUVFHPKLV-JTQLQIEISA-N 0 3 292.343 -1.102 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001419294185 890319669 /nfs/dbraw/zinc/31/96/69/890319669.db2.gz WJRBAOXFMOHQQX-RKDXNWHRSA-N 0 3 283.332 -2.102 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001419385237 890319798 /nfs/dbraw/zinc/31/97/98/890319798.db2.gz CTQMPCOFQVSCSJ-LPEHRKFASA-N 0 3 299.375 -1.112 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001419333267 890319949 /nfs/dbraw/zinc/31/99/49/890319949.db2.gz ZZDZTVYBFAHQMC-VIFPVBQESA-N 0 3 291.373 -1.609 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC1(CNCC(N)=O)CCCC1 ZINC001419296158 890320047 /nfs/dbraw/zinc/32/00/47/890320047.db2.gz JMCHWPVTHLTWLN-QMMMGPOBSA-N 0 3 285.348 -1.453 20 0 CAADHN CNC(=O)CNC[C@](C)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001419316470 890320088 /nfs/dbraw/zinc/32/00/88/890320088.db2.gz FIQKZNRADRRWPX-YGRLFVJLSA-N 0 3 296.371 -1.115 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001419385234 890320152 /nfs/dbraw/zinc/32/01/52/890320152.db2.gz CTQMPCOFQVSCSJ-KXUCPTDWSA-N 0 3 299.375 -1.112 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001419376950 890320596 /nfs/dbraw/zinc/32/05/96/890320596.db2.gz UGNLTOUZWXDINH-DTWKUNHWSA-N 0 3 283.332 -2.054 20 0 CAADHN Cc1nonc1CC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001419298640 890320681 /nfs/dbraw/zinc/32/06/81/890320681.db2.gz WWYQWZPYDUPYIS-SNVBAGLBSA-N 0 3 281.316 -1.110 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](N[C@@H]2CCNC2=O)C2CC2)n1 ZINC001419299684 890321149 /nfs/dbraw/zinc/32/11/49/890321149.db2.gz YDYMOSWJVAPTNC-RKDXNWHRSA-N 0 3 293.331 -1.803 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001419370131 890321181 /nfs/dbraw/zinc/32/11/81/890321181.db2.gz VQSXBBJAJYHVSX-LPEHRKFASA-N 0 3 297.359 -1.488 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cnon2)C1 ZINC001419381265 890321445 /nfs/dbraw/zinc/32/14/45/890321445.db2.gz BNLGOHPWSBKIKN-ZETCQYMHSA-N 0 3 296.287 -1.671 20 0 CAADHN Cc1nonc1CC(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001419298623 890321829 /nfs/dbraw/zinc/32/18/29/890321829.db2.gz WWYQWZPYDUPYIS-JTQLQIEISA-N 0 3 281.316 -1.110 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001419357238 890321857 /nfs/dbraw/zinc/32/18/57/890321857.db2.gz FQRYSVFSXIMOEG-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@@H]2CCC(=O)N2)CCCC1 ZINC001419313387 890321937 /nfs/dbraw/zinc/32/19/37/890321937.db2.gz FQVCLVRSJKROMM-VIFPVBQESA-N 0 3 282.344 -1.231 20 0 CAADHN COC(=O)NCC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001419398227 890323043 /nfs/dbraw/zinc/32/30/43/890323043.db2.gz SHUUXNNBKBKMCE-KYZUINATSA-N 0 3 296.331 -1.092 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)CS(C)(=O)=O)C(N)=O ZINC001419406699 890323238 /nfs/dbraw/zinc/32/32/38/890323238.db2.gz BXWJXVZOBLIVGZ-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN CC(=O)NCC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001419447873 890323613 /nfs/dbraw/zinc/32/36/13/890323613.db2.gz QANGATPEDGNLBH-AOOOYVTPSA-N 0 3 280.332 -1.312 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)CS(C)(=O)=O)C(N)=O ZINC001419406696 890323805 /nfs/dbraw/zinc/32/38/05/890323805.db2.gz BXWJXVZOBLIVGZ-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)NC1 ZINC001419419641 890324302 /nfs/dbraw/zinc/32/43/02/890324302.db2.gz MBZNHFAMUJOSEB-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001419470203 890326632 /nfs/dbraw/zinc/32/66/32/890326632.db2.gz KSQKKBFGHAXAJN-DTORHVGOSA-N 0 3 295.347 -1.519 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1nnn(C(C)(C)C)n1 ZINC001419671475 890338102 /nfs/dbraw/zinc/33/81/02/890338102.db2.gz HUOJVYCQSLGCSL-MRVPVSSYSA-N 0 3 297.363 -1.037 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001419623217 890338168 /nfs/dbraw/zinc/33/81/68/890338168.db2.gz WWOOIIPUPFDNJE-AEJSXWLSSA-N 0 3 282.344 -1.436 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(N)=O ZINC001419649336 890338379 /nfs/dbraw/zinc/33/83/79/890338379.db2.gz MMAZOSTYZIZEBQ-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)CN1CCOCC1)C(N)=O ZINC001419656693 890338425 /nfs/dbraw/zinc/33/84/25/890338425.db2.gz JJMZKLZXTLHCGX-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001419665622 890338504 /nfs/dbraw/zinc/33/85/04/890338504.db2.gz IUICMDCGASLSHC-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CN1CCOCC1 ZINC001419656688 890338530 /nfs/dbraw/zinc/33/85/30/890338530.db2.gz JJMZKLZXTLHCGX-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1cnnn1C ZINC001419647042 890339074 /nfs/dbraw/zinc/33/90/74/890339074.db2.gz BNSYLXCJUBBPNK-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001419668141 890339192 /nfs/dbraw/zinc/33/91/92/890339192.db2.gz QHBPKASUBSMWLF-SECBINFHSA-N 0 3 287.364 -1.560 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1cnnn1C ZINC001419647044 890340470 /nfs/dbraw/zinc/34/04/70/890340470.db2.gz BNSYLXCJUBBPNK-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001419668144 890340507 /nfs/dbraw/zinc/34/05/07/890340507.db2.gz QHBPKASUBSMWLF-VIFPVBQESA-N 0 3 287.364 -1.560 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001419665624 890340602 /nfs/dbraw/zinc/34/06/02/890340602.db2.gz IUICMDCGASLSHC-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C)OC ZINC001419648105 890340860 /nfs/dbraw/zinc/34/08/60/890340860.db2.gz XMQFEUJCYIROPC-BDAKNGLRSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001419668571 890340898 /nfs/dbraw/zinc/34/08/98/890340898.db2.gz RREJBOWBYXBZRD-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1cnn(C)c1N ZINC001419656120 890341154 /nfs/dbraw/zinc/34/11/54/890341154.db2.gz GMOUBQVIIYIHLC-MRVPVSSYSA-N 0 3 282.348 -1.202 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@]12C[C@H]1COC2 ZINC001419676232 890341562 /nfs/dbraw/zinc/34/15/62/890341562.db2.gz QBDWXUVBBQPRFN-RVBZMBCESA-N 0 3 298.343 -1.346 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CS(C)(=O)=O ZINC001419648229 890341623 /nfs/dbraw/zinc/34/16/23/890341623.db2.gz XXTFTZQQDKKNJZ-SFYZADRCSA-N 0 3 279.362 -1.659 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CN1CCOCC1 ZINC001419656691 890341658 /nfs/dbraw/zinc/34/16/58/890341658.db2.gz JJMZKLZXTLHCGX-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)Cc1nnc(C)[nH]1 ZINC001419658177 890342285 /nfs/dbraw/zinc/34/22/85/890342285.db2.gz KVRXESOSFWNWBN-MRVPVSSYSA-N 0 3 282.348 -1.162 20 0 CAADHN CCC(=O)NCC(=O)N(C)[C@H](C)CN[C@H](C)C(N)=O ZINC001419649337 890342197 /nfs/dbraw/zinc/34/21/97/890342197.db2.gz MMAZOSTYZIZEBQ-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)CCCC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001419664903 890342222 /nfs/dbraw/zinc/34/22/22/890342222.db2.gz VVRRTWNWFMKLGL-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@H](CNC(=O)Cc1cnn(C)c1)NCC(=O)NC(N)=O ZINC001419702629 890342643 /nfs/dbraw/zinc/34/26/43/890342643.db2.gz HLUQYNQBIKBPPE-MRVPVSSYSA-N 0 3 296.331 -1.748 20 0 CAADHN CCN1CC[C@H](N[C@@H](C)CNC(=O)CNC(C)=O)C1=O ZINC001419705447 890343525 /nfs/dbraw/zinc/34/35/25/890343525.db2.gz JOPUTZKXCFVRHU-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)NCC(=O)NC(N)=O ZINC001419701723 890343042 /nfs/dbraw/zinc/34/30/42/890343042.db2.gz SMGONEKKQVZQFJ-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)NCC(=O)N(C)C ZINC001419702255 890343390 /nfs/dbraw/zinc/34/33/90/890343390.db2.gz YFFDZPWPVKCOOE-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)NCC(=O)N(C)C ZINC001419702226 890344330 /nfs/dbraw/zinc/34/43/30/890344330.db2.gz YFFDZPWPVKCOOE-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H](C)NC(C)=O ZINC001419689092 890344044 /nfs/dbraw/zinc/34/40/44/890344044.db2.gz BXVDJDSRUOZDGU-BDAKNGLRSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001419689594 890344143 /nfs/dbraw/zinc/34/41/43/890344143.db2.gz WBEVEHIHBQUNLX-SECBINFHSA-N 0 3 284.360 -1.223 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001419694222 890344616 /nfs/dbraw/zinc/34/46/16/890344616.db2.gz ZNEWQDWHVGLOKA-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)on1 ZINC001419692810 890344668 /nfs/dbraw/zinc/34/46/68/890344668.db2.gz FDPTYUVEMXSHGR-SSDOTTSWSA-N 0 3 283.288 -1.114 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)NCC(=O)N1CCC1 ZINC001419702780 890344908 /nfs/dbraw/zinc/34/49/08/890344908.db2.gz UQKKXUNLFQBBMV-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1=O)NCC(=O)NC(N)=O ZINC001419701727 890344962 /nfs/dbraw/zinc/34/49/62/890344962.db2.gz SMGONEKKQVZQFJ-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1)NCC(=O)NC(N)=O ZINC001419701844 890345020 /nfs/dbraw/zinc/34/50/20/890345020.db2.gz SUZCYTGKVQLPLT-ZETCQYMHSA-N 0 3 282.304 -1.677 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@H]1CCCN(C)C1=O ZINC001419698597 890346310 /nfs/dbraw/zinc/34/63/10/890346310.db2.gz NTIDGEWUCYPGQA-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CCN1CC[C@@H](N[C@@H](C)CNC(=O)CNC(C)=O)C1=O ZINC001419705438 890346437 /nfs/dbraw/zinc/34/64/37/890346437.db2.gz JOPUTZKXCFVRHU-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)N(C)C1CC1 ZINC001419732317 890347054 /nfs/dbraw/zinc/34/70/54/890347054.db2.gz QDMJNZAMJFCWFJ-SCZZXKLOSA-N 0 3 298.343 -1.190 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001419714372 890347362 /nfs/dbraw/zinc/34/73/62/890347362.db2.gz GAWSIHGNECBAIS-HLTSFMKQSA-N 0 3 270.333 -1.710 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001419718396 890347977 /nfs/dbraw/zinc/34/79/77/890347977.db2.gz GIOQRDQNNOTBAS-VHSXEESVSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CN1CCOCC1 ZINC001419724287 890348475 /nfs/dbraw/zinc/34/84/75/890348475.db2.gz DCTCCVYJCLIDMM-WDEREUQCSA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ccn(C)n1 ZINC001419745048 890348506 /nfs/dbraw/zinc/34/85/06/890348506.db2.gz LKZMDBJHLISEMW-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cn(CCOC)nn1 ZINC001419734945 890348756 /nfs/dbraw/zinc/34/87/56/890348756.db2.gz PLGMSJCQWDYCHF-SECBINFHSA-N 0 3 298.347 -1.622 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCNC(N)=O ZINC001419742453 890348926 /nfs/dbraw/zinc/34/89/26/890348926.db2.gz QMBHZRYDQXUJLU-YUMQZZPRSA-N 0 3 273.337 -1.645 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)N(C)C1CC1 ZINC001419732314 890349085 /nfs/dbraw/zinc/34/90/85/890349085.db2.gz QDMJNZAMJFCWFJ-PSASIEDQSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1N)NCC(=O)N1CCC1 ZINC001419723220 890349524 /nfs/dbraw/zinc/34/95/24/890349524.db2.gz CNHPHOYZVDSIOK-VIFPVBQESA-N 0 3 294.359 -1.058 20 0 CAADHN C[C@@H](CNC(=O)CN(C)S(=O)(=O)N(C)C)NCCF ZINC001419733245 890349664 /nfs/dbraw/zinc/34/96/64/890349664.db2.gz LLPONPUKDZOIDX-VIFPVBQESA-N 0 3 298.384 -1.212 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)c1N)NCC(=O)N1CCC1 ZINC001419723219 890349741 /nfs/dbraw/zinc/34/97/41/890349741.db2.gz CNHPHOYZVDSIOK-SECBINFHSA-N 0 3 294.359 -1.058 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)nn1 ZINC001419732528 890349804 /nfs/dbraw/zinc/34/98/04/890349804.db2.gz IVWLHLZSMYMFPR-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)N[C@@H]1CCCNC1=O ZINC001419742933 890349838 /nfs/dbraw/zinc/34/98/38/890349838.db2.gz FSXIRBYUHGGVMU-NXEZZACHSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@@H](CNC(=O)CO[C@H]1CCOC1)NCC(=O)N(C)C ZINC001419738158 890350151 /nfs/dbraw/zinc/35/01/51/890350151.db2.gz UFVQLQFLANOBNN-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)N[C@H]1CCCNC1=O ZINC001419742940 890350297 /nfs/dbraw/zinc/35/02/97/890350297.db2.gz FSXIRBYUHGGVMU-ZJUUUORDSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@H](CNC(=O)CO[C@@H]1CCOC1)NCC(=O)N(C)C ZINC001419738154 890350365 /nfs/dbraw/zinc/35/03/65/890350365.db2.gz UFVQLQFLANOBNN-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CN1CCOCC1 ZINC001419724270 890350399 /nfs/dbraw/zinc/35/03/99/890350399.db2.gz DCTCCVYJCLIDMM-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O)n1 ZINC001419737784 890350552 /nfs/dbraw/zinc/35/05/52/890350552.db2.gz CCKUHWCNSQTGKJ-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cn(CCOC)nn1 ZINC001419734955 890350769 /nfs/dbraw/zinc/35/07/69/890350769.db2.gz PLGMSJCQWDYCHF-VIFPVBQESA-N 0 3 298.347 -1.622 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001419735508 890350831 /nfs/dbraw/zinc/35/08/31/890350831.db2.gz MLKZKJIIOBAKDM-UWVGGRQHSA-N 0 3 284.360 -1.210 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)CNC(=O)NC ZINC001419754827 890352895 /nfs/dbraw/zinc/35/28/95/890352895.db2.gz ISBYBSCKQWUBMY-VIFPVBQESA-N 0 3 287.364 -1.464 20 0 CAADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N[C@@H]1CCNC1=O ZINC001419752818 890353014 /nfs/dbraw/zinc/35/30/14/890353014.db2.gz BFRXUZQBTYOYCE-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001419753287 890353090 /nfs/dbraw/zinc/35/30/90/890353090.db2.gz CFKZNXIKQDQXRM-DTWKUNHWSA-N 0 3 270.333 -1.695 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1cncn1C ZINC001419781960 890353915 /nfs/dbraw/zinc/35/39/15/890353915.db2.gz PXZOUFFCMXXYDP-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)N[C@H]1CCCNC1=O ZINC001419754731 890354603 /nfs/dbraw/zinc/35/46/03/890354603.db2.gz ZFCAEWVDQXXOOI-IUCAKERBSA-N 0 3 281.320 -1.954 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCCN(C)C1=O ZINC001419752826 890354640 /nfs/dbraw/zinc/35/46/40/890354640.db2.gz BHYXSFPQACVUIY-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)C1CS(=O)(=O)C1 ZINC001419764349 890355111 /nfs/dbraw/zinc/35/51/11/890355111.db2.gz HBSSBSMMCMAKCH-SFYZADRCSA-N 0 3 291.373 -1.740 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)NCc1cnn(C)c1 ZINC001419758500 890356095 /nfs/dbraw/zinc/35/60/95/890356095.db2.gz QWBRDLSBSLOFSI-SECBINFHSA-N 0 3 282.348 -1.057 20 0 CAADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N[C@H]1CCNC1=O ZINC001419752821 890355744 /nfs/dbraw/zinc/35/57/44/890355744.db2.gz BFRXUZQBTYOYCE-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)CCCC(N)=O ZINC001419772625 890355869 /nfs/dbraw/zinc/35/58/69/890355869.db2.gz OASDCDFNUDAJIQ-RKDXNWHRSA-N 0 3 272.349 -1.048 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)Cn1cnnn1 ZINC001419778165 890356314 /nfs/dbraw/zinc/35/63/14/890356314.db2.gz AOJUILRKOLFCMS-SECBINFHSA-N 0 3 283.336 -1.721 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@H]1CNC(=O)N1 ZINC001419823597 890356825 /nfs/dbraw/zinc/35/68/25/890356825.db2.gz PBHYTUOMQBBTJN-HTQZYQBOSA-N 0 3 271.321 -2.102 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)NCC(=O)N(C)C ZINC001419862252 890356730 /nfs/dbraw/zinc/35/67/30/890356730.db2.gz PDDYGUNYMWEHIU-SFYZADRCSA-N 0 3 299.331 -2.233 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1COCCO1)C(C)C ZINC001419850991 890356882 /nfs/dbraw/zinc/35/68/82/890356882.db2.gz FVWDCGMSUVALFA-WDEREUQCSA-N 0 3 287.360 -1.122 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CN(C)C(C)=O)C(C)C ZINC001419858022 890357905 /nfs/dbraw/zinc/35/79/05/890357905.db2.gz YUJQBIMYIIRCTP-NSHDSACASA-N 0 3 286.376 -1.059 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H]1COCCO1)NCC(N)=O ZINC001419856502 890357959 /nfs/dbraw/zinc/35/79/59/890357959.db2.gz VPCLPBWOMRUFOA-UWVGGRQHSA-N 0 3 273.333 -1.383 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001419865771 890358477 /nfs/dbraw/zinc/35/84/77/890358477.db2.gz TWYFFYOUFQPQFF-HTQZYQBOSA-N 0 3 295.343 -1.044 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001419865779 890358551 /nfs/dbraw/zinc/35/85/51/890358551.db2.gz TWYFFYOUFQPQFF-SFYZADRCSA-N 0 3 295.343 -1.044 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)Cc1cnoc1 ZINC001419839781 890359603 /nfs/dbraw/zinc/35/96/03/890359603.db2.gz PJTWPEYKBAOSQW-QMMMGPOBSA-N 0 3 297.315 -1.233 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)NC1CC1 ZINC001419852775 890359660 /nfs/dbraw/zinc/35/96/60/890359660.db2.gz PKNQUFHKTCLYBN-SFGNSQDASA-N 0 3 282.344 -1.519 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1COCCO1)NCC(N)=O ZINC001419856503 890359758 /nfs/dbraw/zinc/35/97/58/890359758.db2.gz VPCLPBWOMRUFOA-VHSXEESVSA-N 0 3 273.333 -1.383 20 0 CAADHN Cc1nn[nH]c1C(=O)NC[C@@H](C)NCCS(C)(=O)=O ZINC001419841091 890359895 /nfs/dbraw/zinc/35/98/95/890359895.db2.gz PVELGOHRDXJYHR-SSDOTTSWSA-N 0 3 289.361 -1.134 20 0 CAADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)NCC(=O)N(C)C ZINC001419848728 890360144 /nfs/dbraw/zinc/36/01/44/890360144.db2.gz KHUHNEIYEQUDJI-MRVPVSSYSA-N 0 3 295.343 -1.090 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)Cc1cnoc1 ZINC001419839764 890360188 /nfs/dbraw/zinc/36/01/88/890360188.db2.gz PJTWPEYKBAOSQW-MRVPVSSYSA-N 0 3 297.315 -1.233 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H]1COCCO1)NCC(N)=O ZINC001419856504 890360414 /nfs/dbraw/zinc/36/04/14/890360414.db2.gz VPCLPBWOMRUFOA-ZJUUUORDSA-N 0 3 273.333 -1.383 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cnn(C)c1OC ZINC001419898722 890361822 /nfs/dbraw/zinc/36/18/22/890361822.db2.gz FTLPJVBGEHOVQC-QMMMGPOBSA-N 0 3 283.332 -1.117 20 0 CAADHN CCn1nc(C(=O)NC[C@@H](C)NCC(N)=O)ccc1=O ZINC001419872750 890362942 /nfs/dbraw/zinc/36/29/42/890362942.db2.gz NPFMDTVGSLSVNC-MRVPVSSYSA-N 0 3 281.316 -1.544 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N[C@H]1CCCN(C)C1=O ZINC001419927452 890362577 /nfs/dbraw/zinc/36/25/77/890362577.db2.gz ZKERXJDUQJACHN-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CNC(=O)c1ccc2n[nH]c(=O)n2c1)NCC(N)=O ZINC001419869415 890363015 /nfs/dbraw/zinc/36/30/15/890363015.db2.gz LQIZZNVHHBDQBG-SSDOTTSWSA-N 0 3 292.299 -1.372 20 0 CAADHN CCN1CC[C@H](N[C@@H](C)CNC(=O)Cn2cncn2)C1=O ZINC001419920723 890363468 /nfs/dbraw/zinc/36/34/68/890363468.db2.gz MPEODZIXLUTSEO-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)Cn1cncn1 ZINC001419922366 890363496 /nfs/dbraw/zinc/36/34/96/890363496.db2.gz PNYKHMVBNISTEZ-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN C[C@H](CNC(=O)CCNC(N)=O)N[C@@H]1CCCN(C)C1=O ZINC001419927431 890364050 /nfs/dbraw/zinc/36/40/50/890364050.db2.gz ZKERXJDUQJACHN-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCN1CC[C@@H](N[C@H](C)CNC(=O)Cn2cncn2)C1=O ZINC001419920707 890364108 /nfs/dbraw/zinc/36/41/08/890364108.db2.gz MPEODZIXLUTSEO-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[n-]1)[NH2+][C@@H](C)C(=O)N(C)C ZINC001419908468 890364399 /nfs/dbraw/zinc/36/43/99/890364399.db2.gz XYYACADNTLLVBU-BDAKNGLRSA-N 0 3 282.348 -1.082 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)C(C)C ZINC001419898087 890364781 /nfs/dbraw/zinc/36/47/81/890364781.db2.gz FGSRWYGQECVUFA-IUCAKERBSA-N 0 3 285.348 -1.856 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cnn(CCOC)c1 ZINC001419912234 890364816 /nfs/dbraw/zinc/36/48/16/890364816.db2.gz XVUUBJZZLNRORC-SNVBAGLBSA-N 0 3 297.359 -1.017 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001419891065 890365029 /nfs/dbraw/zinc/36/50/29/890365029.db2.gz ISTOJUQOGIBCSQ-BDAKNGLRSA-N 0 3 270.333 -1.505 20 0 CAADHN Cc1cc(C(=O)N2CC[C@H](NCC(=O)NC(N)=O)C2)on1 ZINC001419939182 890366351 /nfs/dbraw/zinc/36/63/51/890366351.db2.gz BWIHAJDYKJBPSK-QMMMGPOBSA-N 0 3 295.299 -1.018 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001419940805 890367929 /nfs/dbraw/zinc/36/79/29/890367929.db2.gz KUCORTVZUQQYGN-RYUDHWBXSA-N 0 3 296.371 -1.114 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001419965599 890368170 /nfs/dbraw/zinc/36/81/70/890368170.db2.gz JLAKNBDWFKQBFV-QMMMGPOBSA-N 0 3 279.300 -1.680 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001419935903 890368262 /nfs/dbraw/zinc/36/82/62/890368262.db2.gz LVNPFXDXWYJXAF-RKDXNWHRSA-N 0 3 297.359 -1.434 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001419940797 890370030 /nfs/dbraw/zinc/37/00/30/890370030.db2.gz KFMCSOLSMOKYEA-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001420008050 890374021 /nfs/dbraw/zinc/37/40/21/890374021.db2.gz ZYXIKKCDAYODII-AXFHLTTASA-N 0 3 287.360 -1.495 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)NC(=O)NC1CC1 ZINC001420087030 890377593 /nfs/dbraw/zinc/37/75/93/890377593.db2.gz QHWZBKAPVVASTA-VIFPVBQESA-N 0 3 272.305 -1.939 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cccnc1 ZINC001420090768 890377760 /nfs/dbraw/zinc/37/77/60/890377760.db2.gz AQAIIFRJDSQAQM-NSHDSACASA-N 0 3 280.328 -1.563 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)N1CCO[C@@H](C)C1 ZINC001420083902 890380212 /nfs/dbraw/zinc/38/02/12/890380212.db2.gz MKKQBVWQUYLLNB-GXSJLCMTSA-N 0 3 273.333 -1.680 20 0 CAADHN CCC(=O)NC[C@@H](O)CNCC(=O)NC[C@@H]1CCOC1 ZINC001420081196 890380607 /nfs/dbraw/zinc/38/06/07/890380607.db2.gz JPFNNTOMIHCVHN-QWRGUYRKSA-N 0 3 287.360 -1.384 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2ccccn2)C1=O ZINC001420085382 890380701 /nfs/dbraw/zinc/38/07/01/890380701.db2.gz XSCUVZFDKSGAPW-PWSUYJOCSA-N 0 3 292.339 -1.007 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cnccn1 ZINC001420089258 890380812 /nfs/dbraw/zinc/38/08/12/890380812.db2.gz MNIPFHAVIJXVGU-SNVBAGLBSA-N 0 3 295.343 -1.365 20 0 CAADHN CCCNC(=O)NC(=O)CNC[C@@H](O)CNC(C)=O ZINC001420079519 890381150 /nfs/dbraw/zinc/38/11/50/890381150.db2.gz HJMHQZYEYVPEDU-SECBINFHSA-N 0 3 274.321 -1.691 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001420091930 890381461 /nfs/dbraw/zinc/38/14/61/890381461.db2.gz AVLUGNCGOCITSE-MNOVXSKESA-N 0 3 297.359 -1.607 20 0 CAADHN CCn1ccnc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001420103146 890381905 /nfs/dbraw/zinc/38/19/05/890381905.db2.gz GZFLEQJYYJWZKX-SNVBAGLBSA-N 0 3 297.359 -1.329 20 0 CAADHN O=C(Cc1cc[nH]n1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420097034 890381946 /nfs/dbraw/zinc/38/19/46/890381946.db2.gz DTAJVHCTUDBARU-ZJUUUORDSA-N 0 3 281.316 -2.093 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCO1 ZINC001420108700 890382350 /nfs/dbraw/zinc/38/23/50/890382350.db2.gz NIYGCNDDUPVDJK-VHSXEESVSA-N 0 3 273.333 -1.632 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccn[nH]1)N1CCCC1 ZINC001420107778 890382417 /nfs/dbraw/zinc/38/24/17/890382417.db2.gz LUKFRQQTCXYLDY-JTQLQIEISA-N 0 3 295.343 -1.288 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1ccon1 ZINC001420094639 890382895 /nfs/dbraw/zinc/38/28/95/890382895.db2.gz CXCUOOGJDNQSJO-SECBINFHSA-N 0 3 284.316 -1.119 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C1=CCCC1)C(=O)NC(N)=O ZINC001420094591 890383132 /nfs/dbraw/zinc/38/31/32/890383132.db2.gz DQOXDJIYEQWXIZ-WPRPVWTQSA-N 0 3 298.343 -1.253 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CN1CCOCC1 ZINC001420105580 890383301 /nfs/dbraw/zinc/38/33/01/890383301.db2.gz GDJGSOVVZSHLHK-SNVBAGLBSA-N 0 3 288.348 -2.869 20 0 CAADHN O=C(COCC1CC1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420104891 890384224 /nfs/dbraw/zinc/38/42/24/890384224.db2.gz JYIGTWAZJIECAC-WDEREUQCSA-N 0 3 285.344 -1.632 20 0 CAADHN Cc1cncc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)c1 ZINC001420108150 890384526 /nfs/dbraw/zinc/38/45/26/890384526.db2.gz KITQOOOZPAJAEA-KOLCDFICSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)[nH]1 ZINC001420106822 890384610 /nfs/dbraw/zinc/38/46/10/890384610.db2.gz LKNHQZMPCGUGPN-VHSXEESVSA-N 0 3 295.343 -1.323 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)[nH]n1 ZINC001420099095 890384678 /nfs/dbraw/zinc/38/46/78/890384678.db2.gz GLOUNFDYQSQULI-ZJUUUORDSA-N 0 3 295.343 -1.459 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CCn1cccn1 ZINC001420101794 890384848 /nfs/dbraw/zinc/38/48/48/890384848.db2.gz KZXHDVOBJVOSPG-LLVKDONJSA-N 0 3 297.359 -1.572 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1=CCCC1)C(=O)NC(N)=O ZINC001420094578 890385053 /nfs/dbraw/zinc/38/50/53/890385053.db2.gz DQOXDJIYEQWXIZ-SCZZXKLOSA-N 0 3 298.343 -1.253 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)[nH]1 ZINC001420106828 890385315 /nfs/dbraw/zinc/38/53/15/890385315.db2.gz LKNHQZMPCGUGPN-ZJUUUORDSA-N 0 3 295.343 -1.323 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)[nH]1 ZINC001420106765 890385545 /nfs/dbraw/zinc/38/55/45/890385545.db2.gz LKNHQZMPCGUGPN-NXEZZACHSA-N 0 3 295.343 -1.323 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1ccon1 ZINC001420094650 890385661 /nfs/dbraw/zinc/38/56/61/890385661.db2.gz CXCUOOGJDNQSJO-VIFPVBQESA-N 0 3 284.316 -1.119 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)[nH]n1 ZINC001420096882 890385906 /nfs/dbraw/zinc/38/59/06/890385906.db2.gz DUEKUVFSMKKICS-CBAPKCEASA-N 0 3 283.332 -1.474 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCCO1)NCC1CC1 ZINC001420093893 890385989 /nfs/dbraw/zinc/38/59/89/890385989.db2.gz FLFMSELOKHYFFX-NWDGAFQWSA-N 0 3 299.371 -1.242 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001420105943 890386247 /nfs/dbraw/zinc/38/62/47/890386247.db2.gz JCQILKYBTSDDBU-LBPRGKRZSA-N 0 3 292.343 -1.047 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)[nH]n1 ZINC001420099079 890386379 /nfs/dbraw/zinc/38/63/79/890386379.db2.gz GLOUNFDYQSQULI-UWVGGRQHSA-N 0 3 295.343 -1.459 20 0 CAADHN C[C@H](C(=O)NC[C@H](O)CNCC(N)=O)n1cncn1 ZINC001420115009 890387215 /nfs/dbraw/zinc/38/72/15/890387215.db2.gz LWRRUZQLHXLYPZ-HTQZYQBOSA-N 0 3 270.293 -2.609 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCCOCC1 ZINC001420110120 890387299 /nfs/dbraw/zinc/38/72/99/890387299.db2.gz LYAWLWHFKHSQNU-WDEREUQCSA-N 0 3 287.360 -1.384 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420114401 890387693 /nfs/dbraw/zinc/38/76/93/890387693.db2.gz UWGJAQNYMKTXDF-SFYZADRCSA-N 0 3 283.292 -3.372 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1n[nH]c(C)c1C ZINC001420114618 890388173 /nfs/dbraw/zinc/38/81/73/890388173.db2.gz QQRUIYWWCRUVES-NXEZZACHSA-N 0 3 297.359 -1.159 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C[C@H]1CCCO1)NC1CC1 ZINC001420111703 890388209 /nfs/dbraw/zinc/38/82/09/890388209.db2.gz NQMXBNIVFFVBEC-NWDGAFQWSA-N 0 3 299.371 -1.099 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)o1 ZINC001420110559 890388545 /nfs/dbraw/zinc/38/85/45/890388545.db2.gz KRDBCAOWQBDTHD-VXNVDRBHSA-N 0 3 284.316 -1.154 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)on1 ZINC001420115934 890388949 /nfs/dbraw/zinc/38/89/49/890388949.db2.gz XHFYUUXQOHNFMW-UWVGGRQHSA-N 0 3 296.327 -1.058 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cncnc1 ZINC001420113280 890389634 /nfs/dbraw/zinc/38/96/34/890389634.db2.gz JHMVUEKYRWHMLF-WPRPVWTQSA-N 0 3 281.316 -1.709 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCOCC1 ZINC001420110083 890389655 /nfs/dbraw/zinc/38/96/55/890389655.db2.gz LYAWLWHFKHSQNU-GHMZBOCLSA-N 0 3 287.360 -1.384 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)nnn1C ZINC001420112277 890389686 /nfs/dbraw/zinc/38/96/86/890389686.db2.gz NGRGJSPQSPVZNG-DTWKUNHWSA-N 0 3 296.331 -2.308 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)cn1 ZINC001420110207 890389714 /nfs/dbraw/zinc/38/97/14/890389714.db2.gz MZTSLDUXTOCBKR-JTQLQIEISA-N 0 3 297.359 -1.373 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)o1 ZINC001420110549 890389964 /nfs/dbraw/zinc/38/99/64/890389964.db2.gz KRDBCAOWQBDTHD-APPZFPTMSA-N 0 3 284.316 -1.154 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)n1cncn1 ZINC001420115018 890390045 /nfs/dbraw/zinc/39/00/45/890390045.db2.gz LWRRUZQLHXLYPZ-YUMQZZPRSA-N 0 3 270.293 -2.609 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCCO1 ZINC001420115079 890390199 /nfs/dbraw/zinc/39/01/99/890390199.db2.gz QROXBLDOEBUIAP-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCCNC2=O)on1 ZINC001420115937 890390363 /nfs/dbraw/zinc/39/03/63/890390363.db2.gz XHFYUUXQOHNFMW-VHSXEESVSA-N 0 3 296.327 -1.058 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)on1 ZINC001420115939 890390482 /nfs/dbraw/zinc/39/04/82/890390482.db2.gz XHFYUUXQOHNFMW-ZJUUUORDSA-N 0 3 296.327 -1.058 20 0 CAADHN CC(C)OCC(=O)NC[C@H](O)CN[C@H](C)C(=O)N(C)C ZINC001420111494 890390562 /nfs/dbraw/zinc/39/05/62/890390562.db2.gz OIPHPDPSVGOPHK-GHMZBOCLSA-N 0 3 289.376 -1.045 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CN1CCCC1=O ZINC001420117004 890390710 /nfs/dbraw/zinc/39/07/10/890390710.db2.gz YGUMSETXJVUEKY-MRVPVSSYSA-N 0 3 272.305 -2.839 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cnn(C)c2)n[nH]1 ZINC001420114064 890390764 /nfs/dbraw/zinc/39/07/64/890390764.db2.gz UKZHMDFSJVXGGD-JTQLQIEISA-N 0 3 293.331 -1.273 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCCOCC1 ZINC001420110096 890391096 /nfs/dbraw/zinc/39/10/96/890391096.db2.gz LYAWLWHFKHSQNU-MNOVXSKESA-N 0 3 287.360 -1.384 20 0 CAADHN Cc1nc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)co1 ZINC001420111168 890391117 /nfs/dbraw/zinc/39/11/17/890391117.db2.gz HYXMEWCQSOORKY-IUCAKERBSA-N 0 3 282.300 -1.448 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1n[nH]c(C)c1C ZINC001420114635 890391176 /nfs/dbraw/zinc/39/11/76/890391176.db2.gz QQRUIYWWCRUVES-ZJUUUORDSA-N 0 3 297.359 -1.159 20 0 CAADHN Cc1[nH]nc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)c1C ZINC001420117119 890391780 /nfs/dbraw/zinc/39/17/80/890391780.db2.gz WDYVJQVPCXKOOU-DTWKUNHWSA-N 0 3 283.332 -1.419 20 0 CAADHN O=C(Cn1cccn1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420120007 890391823 /nfs/dbraw/zinc/39/18/23/890391823.db2.gz ZUULPJYVRGFCDD-UWVGGRQHSA-N 0 3 281.316 -2.162 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCn1cncn1)C(N)=O ZINC001420118167 890391888 /nfs/dbraw/zinc/39/18/88/890391888.db2.gz WMFHTCSWAHWNPU-BDAKNGLRSA-N 0 3 284.320 -2.391 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001420119389 890392402 /nfs/dbraw/zinc/39/24/02/890392402.db2.gz WNESCFUMMBFQNJ-VXNVDRBHSA-N 0 3 271.321 -1.285 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)on1 ZINC001420117833 890392499 /nfs/dbraw/zinc/39/24/99/890392499.db2.gz ZTDLCPBOJULSCH-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2ncc[nH]2)n[nH]1 ZINC001420124765 890392549 /nfs/dbraw/zinc/39/25/49/890392549.db2.gz DSFQNJIJEOMGCJ-MRVPVSSYSA-N 0 3 279.304 -1.283 20 0 CAADHN NC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1nnc[n-]1 ZINC001420119155 890392631 /nfs/dbraw/zinc/39/26/31/890392631.db2.gz MCFKITUBJJAPJT-DTWKUNHWSA-N 0 3 280.332 -1.293 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001420123398 890392694 /nfs/dbraw/zinc/39/26/94/890392694.db2.gz AEHJWAZQRDJWDO-IUCAKERBSA-N 0 3 281.316 -1.713 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001420123382 890393480 /nfs/dbraw/zinc/39/34/80/890393480.db2.gz AEHJWAZQRDJWDO-BDAKNGLRSA-N 0 3 281.316 -1.713 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnnn1C)C(N)=O ZINC001420125634 890393528 /nfs/dbraw/zinc/39/35/28/890393528.db2.gz OGKPFPCLMXOZCY-JGVFFNPUSA-N 0 3 284.320 -2.241 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)Cn1ncnn1 ZINC001420122911 890393741 /nfs/dbraw/zinc/39/37/41/890393741.db2.gz CADJNVOGLWSSFZ-SNVBAGLBSA-N 0 3 294.319 -2.327 20 0 CAADHN Cc1[nH]nc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c1C ZINC001420117132 890393919 /nfs/dbraw/zinc/39/39/19/890393919.db2.gz WDYVJQVPCXKOOU-RKDXNWHRSA-N 0 3 283.332 -1.419 20 0 CAADHN O=C(Cn1cccn1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420120003 890394159 /nfs/dbraw/zinc/39/41/59/890394159.db2.gz ZUULPJYVRGFCDD-NXEZZACHSA-N 0 3 281.316 -2.162 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1n[nH]cc1C ZINC001420124923 890394234 /nfs/dbraw/zinc/39/42/34/890394234.db2.gz FQFBDKPYXXBQTH-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1nnc[n-]1 ZINC001420119154 890395102 /nfs/dbraw/zinc/39/51/02/890395102.db2.gz MCFKITUBJJAPJT-BDAKNGLRSA-N 0 3 280.332 -1.293 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCn1cncn1)C(N)=O ZINC001420118181 890395378 /nfs/dbraw/zinc/39/53/78/890395378.db2.gz WMFHTCSWAHWNPU-RKDXNWHRSA-N 0 3 284.320 -2.391 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)Cn1ncnn1 ZINC001420122910 890395619 /nfs/dbraw/zinc/39/56/19/890395619.db2.gz CADJNVOGLWSSFZ-JTQLQIEISA-N 0 3 294.319 -2.327 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001420118301 890396208 /nfs/dbraw/zinc/39/62/08/890396208.db2.gz VUYVCAYTXMFEDI-UWVGGRQHSA-N 0 3 296.327 -1.058 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001420119378 890396327 /nfs/dbraw/zinc/39/63/27/890396327.db2.gz WNESCFUMMBFQNJ-APPZFPTMSA-N 0 3 271.321 -1.285 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001420131477 890396814 /nfs/dbraw/zinc/39/68/14/890396814.db2.gz APUGNQLNTYVOHF-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CNCc2cncn2C)nn1 ZINC001420126174 890396909 /nfs/dbraw/zinc/39/69/09/890396909.db2.gz PQGBQBOTWKARHE-SNVBAGLBSA-N 0 3 293.331 -1.571 20 0 CAADHN Cn1cc(Cl)c(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001420133409 890397234 /nfs/dbraw/zinc/39/72/34/890397234.db2.gz ABPRJNYFXLFWFX-LURJTMIESA-N 0 3 289.723 -1.761 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001420127819 890397271 /nfs/dbraw/zinc/39/72/71/890397271.db2.gz VNDLFVTYLSZLKZ-YUMQZZPRSA-N 0 3 284.320 -2.370 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001420127401 890397559 /nfs/dbraw/zinc/39/75/59/890397559.db2.gz UYRIYRVHWWJTAH-MRVPVSSYSA-N 0 3 284.320 -2.276 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccns1)C(N)=O ZINC001420137476 890398450 /nfs/dbraw/zinc/39/84/50/890398450.db2.gz NFPFXEGOUJCQPI-RNFRBKRXSA-N 0 3 272.330 -1.303 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001420142788 890398089 /nfs/dbraw/zinc/39/80/89/890398089.db2.gz ISCSCJKJWJYWFJ-NXEZZACHSA-N 0 3 295.343 -2.003 20 0 CAADHN Cn1cc(Cl)c(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001420133411 890398297 /nfs/dbraw/zinc/39/82/97/890398297.db2.gz ABPRJNYFXLFWFX-ZCFIWIBFSA-N 0 3 289.723 -1.761 20 0 CAADHN Cn1nncc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001420128562 890398578 /nfs/dbraw/zinc/39/85/78/890398578.db2.gz XPKCBSZNGGKWCJ-JGVFFNPUSA-N 0 3 282.304 -2.616 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@H](O)CNCC(N)=O)CC1=O ZINC001420145394 890399872 /nfs/dbraw/zinc/39/98/72/890399872.db2.gz MLAKUQGRTPXLRM-DTWKUNHWSA-N 0 3 286.332 -2.593 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001420131475 890400429 /nfs/dbraw/zinc/40/04/29/890400429.db2.gz APUGNQLNTYVOHF-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN Cn1cncc1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001420147376 890402348 /nfs/dbraw/zinc/40/23/48/890402348.db2.gz DIDCTMNOACISEQ-SNVBAGLBSA-N 0 3 295.343 -1.621 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1csnn1 ZINC001420152106 890402655 /nfs/dbraw/zinc/40/26/55/890402655.db2.gz GXUVVKAAZKZURH-LURJTMIESA-N 0 3 273.318 -2.036 20 0 CAADHN O=C(CCn1ccnc1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420156258 890402959 /nfs/dbraw/zinc/40/29/59/890402959.db2.gz HPUYRINEEQVYLZ-GHMZBOCLSA-N 0 3 295.343 -1.772 20 0 CAADHN CO[C@H](C(=O)NC[C@H](O)CNCC(N)=O)c1cnn(C)c1 ZINC001420152256 890403210 /nfs/dbraw/zinc/40/32/10/890403210.db2.gz HPVGWDYCAZPZCO-KOLCDFICSA-N 0 3 299.331 -2.340 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1csnn1)NC1CC1 ZINC001420153884 890404044 /nfs/dbraw/zinc/40/40/44/890404044.db2.gz IAPYDZASDOBEMI-MRVPVSSYSA-N 0 3 299.356 -1.503 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1csnn1 ZINC001420157225 890404247 /nfs/dbraw/zinc/40/42/47/890404247.db2.gz LUWIXCAJLYHLJX-RQJHMYQMSA-N 0 3 285.329 -1.893 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1c[nH]nc1C ZINC001420159688 890404416 /nfs/dbraw/zinc/40/44/16/890404416.db2.gz LIFFZQGLVXZPGW-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001420152522 890404474 /nfs/dbraw/zinc/40/44/74/890404474.db2.gz CKKAKMGZQQNUIA-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN COc1cncc(C(=O)NC[C@H](O)CNCC(N)=O)c1C ZINC001420157014 890404778 /nfs/dbraw/zinc/40/47/78/890404778.db2.gz QLIJOLUZLOFHPP-SECBINFHSA-N 0 3 296.327 -1.436 20 0 CAADHN Cc1nn(C)c(C)c1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001420165729 890405605 /nfs/dbraw/zinc/40/56/05/890405605.db2.gz UBDFRQJBKDEIFT-PSASIEDQSA-N 0 3 297.359 -1.409 20 0 CAADHN C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)C(F)(F)F ZINC001420167063 890405620 /nfs/dbraw/zinc/40/56/20/890405620.db2.gz FPODBYDGGFRLTE-NTSWFWBYSA-N 0 3 271.239 -1.263 20 0 CAADHN CCc1oncc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001420178326 890405773 /nfs/dbraw/zinc/40/57/73/890405773.db2.gz MZCXHRKMTYPBFD-SSDOTTSWSA-N 0 3 270.289 -1.597 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@H](O)CNCc2cnon2)C1 ZINC001420177378 890405845 /nfs/dbraw/zinc/40/58/45/890405845.db2.gz WVKFBVXNILNAPU-ZYHUDNBSSA-N 0 3 297.359 -1.022 20 0 CAADHN COCc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)no1 ZINC001420178222 890406600 /nfs/dbraw/zinc/40/66/00/890406600.db2.gz DMSZXZSWJYTYMO-ZETCQYMHSA-N 0 3 286.288 -2.013 20 0 CAADHN Cn1c(C(=O)NC[C@H](O)CNCC(N)=O)cccc1=O ZINC001420178804 890406764 /nfs/dbraw/zinc/40/67/64/890406764.db2.gz YLKSZDQTFLMUHV-MRVPVSSYSA-N 0 3 282.300 -2.449 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)Cc2c[nH]cn2)C1=O ZINC001420177336 890407021 /nfs/dbraw/zinc/40/70/21/890407021.db2.gz JWIMIZZAADTXDA-QWRGUYRKSA-N 0 3 295.343 -1.750 20 0 CAADHN CC(C)[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001420179297 890407172 /nfs/dbraw/zinc/40/71/72/890407172.db2.gz PQGFCWVACDRTEG-RKDXNWHRSA-N 0 3 288.348 -1.460 20 0 CAADHN Cc1cc(CCC(=O)NC[C@H](O)CN[C@H](C)C(N)=O)no1 ZINC001420175652 890407305 /nfs/dbraw/zinc/40/73/05/890407305.db2.gz NPAUGWYBTOFUST-MWLCHTKSSA-N 0 3 298.343 -1.144 20 0 CAADHN CC(F)(F)CC(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001420177048 890407330 /nfs/dbraw/zinc/40/73/30/890407330.db2.gz RFDZEQYZAHUYMR-ZCFIWIBFSA-N 0 3 296.274 -1.707 20 0 CAADHN Cn1c(C(=O)NC[C@@H](O)CNCC(N)=O)cccc1=O ZINC001420178810 890407406 /nfs/dbraw/zinc/40/74/06/890407406.db2.gz YLKSZDQTFLMUHV-QMMMGPOBSA-N 0 3 282.300 -2.449 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@@H](O)CNCc2cnon2)C1 ZINC001420177377 890407817 /nfs/dbraw/zinc/40/78/17/890407817.db2.gz WVKFBVXNILNAPU-PWSUYJOCSA-N 0 3 297.359 -1.022 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)CC(N)=O ZINC001420168704 890407672 /nfs/dbraw/zinc/40/76/72/890407672.db2.gz YCUJVFKZQFXLBB-HTQZYQBOSA-N 0 3 274.321 -2.689 20 0 CAADHN CCn1ccc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001420178016 890407713 /nfs/dbraw/zinc/40/77/13/890407713.db2.gz BYZJCBUYAGCDPV-VHSXEESVSA-N 0 3 295.343 -1.528 20 0 CAADHN CCn1ccc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1 ZINC001420178020 890407942 /nfs/dbraw/zinc/40/79/42/890407942.db2.gz BYZJCBUYAGCDPV-ZJUUUORDSA-N 0 3 295.343 -1.528 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@H](O)CN[C@H](C)C(=O)NC ZINC001420164644 890407982 /nfs/dbraw/zinc/40/79/82/890407982.db2.gz YVQBWNBPIRJCML-RKDXNWHRSA-N 0 3 297.359 -1.213 20 0 CAADHN Cn1nnc(CNC[C@H](O)CNC(=O)c2[nH]ncc2F)n1 ZINC001420177367 890408104 /nfs/dbraw/zinc/40/81/04/890408104.db2.gz RRFPCACBMZWVJJ-LURJTMIESA-N 0 3 298.282 -2.047 20 0 CAADHN CC(C)[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001420179296 890408132 /nfs/dbraw/zinc/40/81/32/890408132.db2.gz PQGFCWVACDRTEG-IUCAKERBSA-N 0 3 288.348 -1.460 20 0 CAADHN CN(CCNC(=O)Cn1cnnn1)CCc1ccnn1C ZINC001420180989 890408154 /nfs/dbraw/zinc/40/81/54/890408154.db2.gz OJHXDSVXLXCFLI-UHFFFAOYSA-N 0 3 292.347 -1.303 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@@H](O)CNCc2cnon2)C1 ZINC001420177375 890408517 /nfs/dbraw/zinc/40/85/17/890408517.db2.gz WVKFBVXNILNAPU-JQWIXIFHSA-N 0 3 297.359 -1.022 20 0 CAADHN CCn1ccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001420177768 890408612 /nfs/dbraw/zinc/40/86/12/890408612.db2.gz BNPLOFFFMNGZNE-BDAKNGLRSA-N 0 3 283.332 -1.543 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001420348200 890432049 /nfs/dbraw/zinc/43/20/49/890432049.db2.gz OAJGUQFSAUYBPE-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2ccn(C)n2)n[nH]1 ZINC001420195450 890410043 /nfs/dbraw/zinc/41/00/43/890410043.db2.gz YEJRPGLVNHTWNO-SECBINFHSA-N 0 3 293.331 -1.273 20 0 CAADHN CCn1cc(CC(=O)NC[C@@H](O)CNCC(=O)NC)cn1 ZINC001420192590 890410368 /nfs/dbraw/zinc/41/03/68/890410368.db2.gz MQJLLWXGWYSIBF-NSHDSACASA-N 0 3 297.359 -1.742 20 0 CAADHN Cc1ncc(CNC[C@@H](O)CNC(=O)c2nnc[nH]2)o1 ZINC001420188580 890410386 /nfs/dbraw/zinc/41/03/86/890410386.db2.gz CBHOBBFRPXTZNR-MRVPVSSYSA-N 0 3 280.288 -1.018 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001420191526 890410873 /nfs/dbraw/zinc/41/08/73/890410873.db2.gz FISWZNJZBKNNRN-SNVBAGLBSA-N 0 3 296.327 -1.058 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccncn1 ZINC001420196300 890411081 /nfs/dbraw/zinc/41/10/81/890411081.db2.gz MQCWGGWAUXFEBN-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN Cc1cnoc1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001420191523 890411283 /nfs/dbraw/zinc/41/12/83/890411283.db2.gz FISWZNJZBKNNRN-JTQLQIEISA-N 0 3 296.327 -1.058 20 0 CAADHN CN(C)c1ncccc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001420186039 890411976 /nfs/dbraw/zinc/41/19/76/890411976.db2.gz BJJYQTMWVSKZCZ-SECBINFHSA-N 0 3 295.343 -1.687 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC12CCC2 ZINC001420185284 890412031 /nfs/dbraw/zinc/41/20/31/890412031.db2.gz YQWZVBJURFUNHX-IUCAKERBSA-N 0 3 298.343 -1.562 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2cnon2)C1=O ZINC001420188540 890412142 /nfs/dbraw/zinc/41/21/42/890412142.db2.gz BTPQLCXNKITPLH-YUMQZZPRSA-N 0 3 283.288 -2.019 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cn1cncn1 ZINC001420204848 890413308 /nfs/dbraw/zinc/41/33/08/890413308.db2.gz KXJTYBJPOJHAEY-QMMMGPOBSA-N 0 3 270.293 -2.909 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1nonc1C ZINC001420201186 890413410 /nfs/dbraw/zinc/41/34/10/890413410.db2.gz COOXEMKQPVPHBN-HTQZYQBOSA-N 0 3 285.304 -1.807 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cn1cncn1)C(N)=O ZINC001420198810 890413451 /nfs/dbraw/zinc/41/34/51/890413451.db2.gz AILLWPAWOHYZSD-DTWKUNHWSA-N 0 3 284.320 -2.391 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)Cn1cncn1)C(N)=O ZINC001420198815 890413740 /nfs/dbraw/zinc/41/37/40/890413740.db2.gz AILLWPAWOHYZSD-IUCAKERBSA-N 0 3 284.320 -2.391 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)ccn1 ZINC001420203464 890413882 /nfs/dbraw/zinc/41/38/82/890413882.db2.gz XKCUVYCPFUJMGB-ONGXEEELSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)ccn1 ZINC001420203452 890413897 /nfs/dbraw/zinc/41/38/97/890413897.db2.gz XKCUVYCPFUJMGB-KOLCDFICSA-N 0 3 280.328 -1.056 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1nonc1C ZINC001420201198 890414333 /nfs/dbraw/zinc/41/43/33/890414333.db2.gz COOXEMKQPVPHBN-YUMQZZPRSA-N 0 3 285.304 -1.807 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ncccn1)N1CCC1 ZINC001420201168 890414385 /nfs/dbraw/zinc/41/43/85/890414385.db2.gz UHUQDNCPORKCKQ-SNVBAGLBSA-N 0 3 293.327 -1.611 20 0 CAADHN CC(C)c1oncc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001420200832 890414841 /nfs/dbraw/zinc/41/48/41/890414841.db2.gz SNHHEJWWRBIKQY-QMMMGPOBSA-N 0 3 284.316 -1.036 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ccncn2)C1=O ZINC001420202605 890415120 /nfs/dbraw/zinc/41/51/20/890415120.db2.gz WFEJKXNYAFHWFJ-MWLCHTKSSA-N 0 3 293.327 -1.612 20 0 CAADHN Cn1nc(C(=O)NC[C@H](O)CNCC(N)=O)ccc1=O ZINC001420204434 890415229 /nfs/dbraw/zinc/41/52/29/890415229.db2.gz JJLPOTMIQFJKCQ-SSDOTTSWSA-N 0 3 283.288 -3.054 20 0 CAADHN CC(C)c1oncc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001420200830 890415559 /nfs/dbraw/zinc/41/55/59/890415559.db2.gz SNHHEJWWRBIKQY-MRVPVSSYSA-N 0 3 284.316 -1.036 20 0 CAADHN COc1ccccc1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001420204828 890415791 /nfs/dbraw/zinc/41/57/91/890415791.db2.gz KTIHHZLORWNLQB-LLVKDONJSA-N 0 3 295.339 -1.210 20 0 CAADHN Cc1ccccc1OCC(=O)NC[C@H](O)CNCC(N)=O ZINC001420205384 890415841 /nfs/dbraw/zinc/41/58/41/890415841.db2.gz NGJMGZBXZRJELB-LLVKDONJSA-N 0 3 295.339 -1.074 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)c2ccncn2)C1=O ZINC001420202602 890416084 /nfs/dbraw/zinc/41/60/84/890416084.db2.gz WFEJKXNYAFHWFJ-KOLCDFICSA-N 0 3 293.327 -1.612 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](O)CNCc1ncnn1C ZINC001420213749 890417523 /nfs/dbraw/zinc/41/75/23/890417523.db2.gz MNQIYGGEPXCHHK-NSHDSACASA-N 0 3 298.391 -1.278 20 0 CAADHN O=C(Cc1ccc[nH]1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001420223680 890418077 /nfs/dbraw/zinc/41/80/77/890418077.db2.gz XUZSKUITSZPVHM-GHMZBOCLSA-N 0 3 280.328 -1.488 20 0 CAADHN Cc1nsc(C)c1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001420219282 890418313 /nfs/dbraw/zinc/41/83/13/890418313.db2.gz UTWPGFKFCGQPLH-QMMMGPOBSA-N 0 3 286.357 -1.074 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](O)CNCc1ncnn1C ZINC001420213744 890418355 /nfs/dbraw/zinc/41/83/55/890418355.db2.gz MNQIYGGEPXCHHK-LLVKDONJSA-N 0 3 298.391 -1.278 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCc1cnn(C)c1)C(N)=O ZINC001420210368 890418837 /nfs/dbraw/zinc/41/88/37/890418837.db2.gz JDJRDMKCYZTJKY-GXSJLCMTSA-N 0 3 297.359 -1.707 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001420217446 890418890 /nfs/dbraw/zinc/41/88/90/890418890.db2.gz AIMLIIASQWLPMC-ZJUUUORDSA-N 0 3 295.343 -1.323 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1cnn(C)c1)C(N)=O ZINC001420210373 890419030 /nfs/dbraw/zinc/41/90/30/890419030.db2.gz JDJRDMKCYZTJKY-KOLCDFICSA-N 0 3 297.359 -1.707 20 0 CAADHN Cc1cc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)no1 ZINC001420260377 890420265 /nfs/dbraw/zinc/42/02/65/890420265.db2.gz DQFQYQHUGFEGHM-ZCFIWIBFSA-N 0 3 283.288 -1.114 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)CN1CCCC1=O)C(N)=O ZINC001420260817 890420690 /nfs/dbraw/zinc/42/06/90/890420690.db2.gz MLDUIHDDEGBBGX-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN Cc1c(C(=O)N[C@H](C)CN[C@H]2CCNC2=O)nnn1C ZINC001420269949 890420387 /nfs/dbraw/zinc/42/03/87/890420387.db2.gz OUBDBZCXZLOOGA-APPZFPTMSA-N 0 3 280.332 -1.280 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)Cn1ncnn1 ZINC001420251018 890420474 /nfs/dbraw/zinc/42/04/74/890420474.db2.gz ZEXDYYOJFUYSGA-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001420237410 890420611 /nfs/dbraw/zinc/42/06/11/890420611.db2.gz HYEVLUQWHFUSOF-VWYCJHECSA-N 0 3 296.371 -1.223 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CCn1cnnn1 ZINC001420239726 890420656 /nfs/dbraw/zinc/42/06/56/890420656.db2.gz UWVRXYJLWXLXPS-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CN1CCOCC1 ZINC001420246450 890420741 /nfs/dbraw/zinc/42/07/41/890420741.db2.gz POCZJWKHKWFJKY-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001420244586 890420848 /nfs/dbraw/zinc/42/08/48/890420848.db2.gz XKMNDPPKFICRPP-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)c1c[nH]c(=O)cn1 ZINC001420243594 890420988 /nfs/dbraw/zinc/42/09/88/890420988.db2.gz ULIOKZDDDJSTTQ-SECBINFHSA-N 0 3 293.327 -1.290 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CS(=O)(=O)CC ZINC001420251028 890421290 /nfs/dbraw/zinc/42/12/90/890421290.db2.gz KLGZCGTTXFBLHC-SECBINFHSA-N 0 3 293.389 -1.267 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001420231958 890421733 /nfs/dbraw/zinc/42/17/33/890421733.db2.gz FBKILBXIZPLXBT-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001420238854 890421823 /nfs/dbraw/zinc/42/18/23/890421823.db2.gz FJEXEPDIDWZHNN-SECBINFHSA-N 0 3 295.343 -1.294 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)CN1CCOCC1=O ZINC001420241588 890421939 /nfs/dbraw/zinc/42/19/39/890421939.db2.gz AZLAKQDXEVSCDI-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CNCC(=O)NC(C)C ZINC001420265660 890422254 /nfs/dbraw/zinc/42/22/54/890422254.db2.gz IBEOPHUECOHZNV-SECBINFHSA-N 0 3 288.348 -1.039 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1CCC(=O)N1 ZINC001420237144 890422303 /nfs/dbraw/zinc/42/23/03/890422303.db2.gz CBQFSVIDTJWJNH-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001420244583 890422484 /nfs/dbraw/zinc/42/24/84/890422484.db2.gz XKMNDPPKFICRPP-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)Cn1cnnn1 ZINC001420231953 890422545 /nfs/dbraw/zinc/42/25/45/890422545.db2.gz FBKILBXIZPLXBT-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)C1=COCCO1 ZINC001420260772 890422640 /nfs/dbraw/zinc/42/26/40/890422640.db2.gz FFTFVIJBPJELGV-SSDOTTSWSA-N 0 3 286.288 -1.836 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CCc1ccon1 ZINC001420245333 890422902 /nfs/dbraw/zinc/42/29/02/890422902.db2.gz BIDUSTUDPXYISX-NSHDSACASA-N 0 3 298.343 -1.238 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CS(=O)(=O)CC ZINC001420251032 890423153 /nfs/dbraw/zinc/42/31/53/890423153.db2.gz KLGZCGTTXFBLHC-VIFPVBQESA-N 0 3 293.389 -1.267 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001420272244 890424472 /nfs/dbraw/zinc/42/44/72/890424472.db2.gz LJLFNYZTADDJTD-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCn1ccnn1 ZINC001420279172 890424662 /nfs/dbraw/zinc/42/46/62/890424662.db2.gz RFWBCLYWYDSIDM-ZJUUUORDSA-N 0 3 280.332 -1.349 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCn1ccnn1 ZINC001420274503 890425262 /nfs/dbraw/zinc/42/52/62/890425262.db2.gz DPJHJFFLMJDKIE-NXEZZACHSA-N 0 3 282.348 -1.103 20 0 CAADHN CCn1nncc1C(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001420273890 890425305 /nfs/dbraw/zinc/42/53/05/890425305.db2.gz OCIRNZBVDBVARU-RKDXNWHRSA-N 0 3 280.332 -1.106 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCN(C)C1=O ZINC001420270914 890425411 /nfs/dbraw/zinc/42/54/11/890425411.db2.gz GAZJJAYYNJQIOA-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)c1cn(C)nn1 ZINC001420273493 890425768 /nfs/dbraw/zinc/42/57/68/890425768.db2.gz IQHKMHPLHBFNLX-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1ccn(C)c1 ZINC001420292692 890426304 /nfs/dbraw/zinc/42/63/04/890426304.db2.gz VUNQJPMKVFDIKG-MRVPVSSYSA-N 0 3 281.316 -1.072 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001420285775 890426740 /nfs/dbraw/zinc/42/67/40/890426740.db2.gz WZRLXPLYFJFIGV-VIFPVBQESA-N 0 3 284.316 -1.561 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1cnn(C)c1N ZINC001420272829 890427014 /nfs/dbraw/zinc/42/70/14/890427014.db2.gz HVYRBZHBJBPFRT-MRVPVSSYSA-N 0 3 282.348 -1.154 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CN1CCOCC1 ZINC001420278868 890427097 /nfs/dbraw/zinc/42/70/97/890427097.db2.gz IQXMZRYERIPOJK-MNOVXSKESA-N 0 3 284.360 -1.699 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)Cn1ncnn1 ZINC001420292755 890427147 /nfs/dbraw/zinc/42/71/47/890427147.db2.gz CARZXBVBIVVOFI-RKDXNWHRSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CN(C)C(=O)C1CC1 ZINC001420295377 890428933 /nfs/dbraw/zinc/42/89/33/890428933.db2.gz CTJMGFDGJNFPNI-BDAKNGLRSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H](OC)c1cnn(C)c1 ZINC001420328939 890428472 /nfs/dbraw/zinc/42/84/72/890428472.db2.gz WGUHRQHRGOYKJM-BXKDBHETSA-N 0 3 297.359 -1.052 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001420320587 890428818 /nfs/dbraw/zinc/42/88/18/890428818.db2.gz CAQSGHCMZIUZRD-SNVBAGLBSA-N 0 3 299.375 -2.351 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001420302929 890428884 /nfs/dbraw/zinc/42/88/84/890428884.db2.gz TYMBIPDFJGBHPK-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001420328942 890429803 /nfs/dbraw/zinc/42/98/03/890429803.db2.gz WGUHRQHRGOYKJM-SKDRFNHKSA-N 0 3 297.359 -1.052 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CNS(=O)(=O)N(C)C ZINC001420305126 890430554 /nfs/dbraw/zinc/43/05/54/890430554.db2.gz FWKYZXYFRTXTJM-SECBINFHSA-N 0 3 296.393 -2.189 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CN1CCCCC1=O ZINC001420314760 890430578 /nfs/dbraw/zinc/43/05/78/890430578.db2.gz ZYIDBRUCIPUAJR-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN Cc1nnccc1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001420306471 890430599 /nfs/dbraw/zinc/43/05/99/890430599.db2.gz GDNYCKXDEDWUGF-SSDOTTSWSA-N 0 3 294.315 -1.312 20 0 CAADHN CC(C)c1nnnn1CC(=O)N[C@H](C)CNCC(N)=O ZINC001420345865 890431863 /nfs/dbraw/zinc/43/18/63/890431863.db2.gz YTOKQCRVVSYKBK-MRVPVSSYSA-N 0 3 283.336 -1.624 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001420339699 890431901 /nfs/dbraw/zinc/43/19/01/890431901.db2.gz GZQMKQXUOMBROG-ZJUUUORDSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)Cc1cscn1 ZINC001420355813 890431952 /nfs/dbraw/zinc/43/19/52/890431952.db2.gz YUFNCIFYSAEHCF-SSDOTTSWSA-N 0 3 299.356 -1.025 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cccnn1 ZINC001420354919 890432159 /nfs/dbraw/zinc/43/21/59/890432159.db2.gz FRNSHALVRWKHLC-MRVPVSSYSA-N 0 3 291.315 -1.194 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1cccnn1 ZINC001420355895 890432268 /nfs/dbraw/zinc/43/22/68/890432268.db2.gz JZBCUDMFESZXKM-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@H](O)CS(C)(=O)=O ZINC001420354053 890432337 /nfs/dbraw/zinc/43/23/37/890432337.db2.gz RKJQLKCMODKSMY-QMMMGPOBSA-N 0 3 275.330 -1.218 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001420340492 890432780 /nfs/dbraw/zinc/43/27/80/890432780.db2.gz TUEXFTJXPSNFAB-GJMOJQLCSA-N 0 3 272.305 -2.401 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1ncccn1 ZINC001420357963 890432866 /nfs/dbraw/zinc/43/28/66/890432866.db2.gz VFACIKLGRTVUFN-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C(C)(C)NC(C)=O ZINC001420346410 890432968 /nfs/dbraw/zinc/43/29/68/890432968.db2.gz GXUOSXMKAQLEFL-MRVPVSSYSA-N 0 3 272.349 -1.259 20 0 CAADHN CCCN(C)CC(=O)NCCN(C)CC(=O)NC(N)=O ZINC001420341133 890433456 /nfs/dbraw/zinc/43/34/56/890433456.db2.gz NQUQMOIRGNABHC-UHFFFAOYSA-N 0 3 287.364 -1.429 20 0 CAADHN CN(CCO)CCNC(=O)Cc1nc2ncccn2n1 ZINC001420340033 890433604 /nfs/dbraw/zinc/43/36/04/890433604.db2.gz CFLWMOJXQCHAJJ-UHFFFAOYSA-N 0 3 278.316 -1.293 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)COCc1nncn1C ZINC001420356929 890433813 /nfs/dbraw/zinc/43/38/13/890433813.db2.gz MMCBZUCPRQZDFE-RKDXNWHRSA-N 0 3 298.347 -1.700 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cnon1 ZINC001420354267 890433905 /nfs/dbraw/zinc/43/39/05/890433905.db2.gz CKOQVOYFOXSGBL-RQJHMYQMSA-N 0 3 298.303 -1.378 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C(C)(C)S(C)(=O)=O ZINC001420342267 890434137 /nfs/dbraw/zinc/43/41/37/890434137.db2.gz RQIFZKGDESMOIX-SSDOTTSWSA-N 0 3 279.362 -1.611 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cnon1 ZINC001420357937 890434167 /nfs/dbraw/zinc/43/41/67/890434167.db2.gz USVGWJVESQPESG-ZCFIWIBFSA-N 0 3 284.276 -1.767 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)CS(=O)(=O)N(C)C ZINC001420348202 890434176 /nfs/dbraw/zinc/43/41/76/890434176.db2.gz OAJGUQFSAUYBPE-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cn[nH]c1 ZINC001420390747 890434971 /nfs/dbraw/zinc/43/49/71/890434971.db2.gz DPLXIHQETUAZHL-YUMQZZPRSA-N 0 3 296.331 -1.038 20 0 CAADHN Cc1cc(CC(=O)N[C@@H](C)CNCC(=O)NC(N)=O)no1 ZINC001420404701 890434994 /nfs/dbraw/zinc/43/49/94/890434994.db2.gz MNWFMWIDQGELQX-ZETCQYMHSA-N 0 3 297.315 -1.185 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@H]1CCC(=O)N1)C(=O)N(C)C ZINC001420394980 890435012 /nfs/dbraw/zinc/43/50/12/890435012.db2.gz JVAANSSHKCZPSX-IVZWLZJFSA-N 0 3 284.360 -1.164 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CN1CCCC1=O ZINC001420397879 890435161 /nfs/dbraw/zinc/43/51/61/890435161.db2.gz JQEAFIIAYXKMMM-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H](CNCc1cnnn1C)NC(=O)[C@@H]1CN(C)CCO1 ZINC001420405823 890435644 /nfs/dbraw/zinc/43/56/44/890435644.db2.gz RFTCVJNUJJURQB-JQWIXIFHSA-N 0 3 296.375 -1.260 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001420364083 890435761 /nfs/dbraw/zinc/43/57/61/890435761.db2.gz CPPWCTKFZIMTMS-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001420375636 890435813 /nfs/dbraw/zinc/43/58/13/890435813.db2.gz HILKTKVPSDDQGB-RKDXNWHRSA-N 0 3 291.373 -1.596 20 0 CAADHN CC(C)CNC(=O)CNC[C@H](C)NC(=O)Cn1cnnn1 ZINC001420395498 890435874 /nfs/dbraw/zinc/43/58/74/890435874.db2.gz CXANLWVTZFGWTM-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001420364217 890435981 /nfs/dbraw/zinc/43/59/81/890435981.db2.gz BGORIDOLCVXPPJ-VXNVDRBHSA-N 0 3 287.364 -1.351 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001420375802 890437002 /nfs/dbraw/zinc/43/70/02/890437002.db2.gz XMHGYKPMJNFHTH-WCABBAIRSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CCn1cncn1 ZINC001420404644 890437139 /nfs/dbraw/zinc/43/71/39/890437139.db2.gz ZJUMJMSXMCSDFN-UWVGGRQHSA-N 0 3 280.332 -1.349 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cn[nH]c1 ZINC001420390746 890437178 /nfs/dbraw/zinc/43/71/78/890437178.db2.gz DPLXIHQETUAZHL-JGVFFNPUSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001420364216 890437361 /nfs/dbraw/zinc/43/73/61/890437361.db2.gz BGORIDOLCVXPPJ-APPZFPTMSA-N 0 3 287.364 -1.351 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)CNC(=O)C1CC1 ZINC001420395393 890437529 /nfs/dbraw/zinc/43/75/29/890437529.db2.gz ZSRPVJDGLPBQHW-ONGXEEELSA-N 0 3 296.371 -1.115 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001420372762 890437833 /nfs/dbraw/zinc/43/78/33/890437833.db2.gz HHIVOKJNPHHMJP-YUSALJHKSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1nccnc1N ZINC001420405329 890437887 /nfs/dbraw/zinc/43/78/87/890437887.db2.gz PKWXWFGQXCUACE-YUMQZZPRSA-N 0 3 280.332 -1.099 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001420372759 890437957 /nfs/dbraw/zinc/43/79/57/890437957.db2.gz HHIVOKJNPHHMJP-ADEWGFFLSA-N 0 3 296.371 -1.020 20 0 CAADHN CCN1CC[C@H](NC[C@H](C)NC(=O)CNC(=O)NC)C1=O ZINC001420421986 890439148 /nfs/dbraw/zinc/43/91/48/890439148.db2.gz SNNNRCILXFBKGA-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001420420048 890439275 /nfs/dbraw/zinc/43/92/75/890439275.db2.gz KVMCJFJPVYGGSO-IUCAKERBSA-N 0 3 287.364 -1.514 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)Cn1ncnn1 ZINC001420423517 890439564 /nfs/dbraw/zinc/43/95/64/890439564.db2.gz ROFDDZNQENTKSB-IUCAKERBSA-N 0 3 281.320 -2.002 20 0 CAADHN CCN1CC[C@@H](NC[C@H](C)NC(=O)CNC(=O)NC)C1=O ZINC001420421988 890439649 /nfs/dbraw/zinc/43/96/49/890439649.db2.gz SNNNRCILXFBKGA-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001420422370 890439855 /nfs/dbraw/zinc/43/98/55/890439855.db2.gz VIDXMBJEFBEAIL-UWVGGRQHSA-N 0 3 296.371 -1.162 20 0 CAADHN CCN(CCNC(=O)c1c[nH]c(=O)cn1)C[C@@H](O)COC ZINC001420429659 890439880 /nfs/dbraw/zinc/43/98/80/890439880.db2.gz OFNFWXZDCDYJJI-SNVBAGLBSA-N 0 3 298.343 -1.171 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1cn(C)nn1 ZINC001420416528 890440186 /nfs/dbraw/zinc/44/01/86/890440186.db2.gz WHHZFQUAUGYDNN-ZETCQYMHSA-N 0 3 297.319 -2.021 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001420435473 890440873 /nfs/dbraw/zinc/44/08/73/890440873.db2.gz XBUKYARMERCDPU-DTWKUNHWSA-N 0 3 295.343 -1.248 20 0 CAADHN Cc1ccc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)nn1 ZINC001420423930 890440920 /nfs/dbraw/zinc/44/09/20/890440920.db2.gz YONIADACYYMSCI-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)Cn1ncnn1 ZINC001420420554 890441256 /nfs/dbraw/zinc/44/12/56/890441256.db2.gz KKGKZFPJPOZWPW-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)c1cn(C)nn1 ZINC001420413115 890441381 /nfs/dbraw/zinc/44/13/81/890441381.db2.gz IQHKMHPLHBFNLX-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN COCCn1cc(C(=O)N[C@@H](C)CN[C@H](C)C(N)=O)nn1 ZINC001420417644 890441734 /nfs/dbraw/zinc/44/17/34/890441734.db2.gz AKXFKGKNNVZMDU-DTWKUNHWSA-N 0 3 298.347 -1.494 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@H](C)C(=O)N(C)C ZINC001420420040 890441911 /nfs/dbraw/zinc/44/19/11/890441911.db2.gz KVMCJFJPVYGGSO-DTWKUNHWSA-N 0 3 287.364 -1.514 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CN(C)CCO1 ZINC001420406857 890441944 /nfs/dbraw/zinc/44/19/44/890441944.db2.gz XARKUARBTRYVRZ-WDEREUQCSA-N 0 3 286.376 -1.453 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001420472263 890442796 /nfs/dbraw/zinc/44/27/96/890442796.db2.gz UUGGQCXXWYKBOX-JTQLQIEISA-N 0 3 296.375 -1.022 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001420474407 890443273 /nfs/dbraw/zinc/44/32/73/890443273.db2.gz CRKPUDPGISKGCP-JGVFFNPUSA-N 0 3 272.349 -1.131 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccnc2c1nnn2C ZINC001420459344 890443641 /nfs/dbraw/zinc/44/36/41/890443641.db2.gz WHRZZCLRDFBWJB-ZETCQYMHSA-N 0 3 291.315 -1.444 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001420458150 890443726 /nfs/dbraw/zinc/44/37/26/890443726.db2.gz MWKJSPIATWCRPD-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)c1ccnnc1 ZINC001420468979 890444043 /nfs/dbraw/zinc/44/40/43/890444043.db2.gz OWQACVFUCGJFGR-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001420452832 890444196 /nfs/dbraw/zinc/44/41/96/890444196.db2.gz ISPUECZVRFZHON-LPEHRKFASA-N 0 3 284.360 -1.035 20 0 CAADHN O=C(Cc1nnc[nH]1)NC[C@@H]1CCCN1[C@H]1CCNC1=O ZINC001420491740 890444315 /nfs/dbraw/zinc/44/43/15/890444315.db2.gz FISSOHKHWQUEAN-UWVGGRQHSA-N 0 3 292.343 -1.184 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)CCn1cnnn1 ZINC001420479528 890444381 /nfs/dbraw/zinc/44/43/81/890444381.db2.gz SSBNAGLPGCYQJS-VIFPVBQESA-N 0 3 295.347 -1.564 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCn1cnnn1 ZINC001420479036 890444880 /nfs/dbraw/zinc/44/48/80/890444880.db2.gz PYOBMHFNPGOFKS-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1cnn(C)n1 ZINC001420486493 890444949 /nfs/dbraw/zinc/44/49/49/890444949.db2.gz WNLLWLHSZALEIO-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN O=C(Cc1nnc[nH]1)NC[C@@H]1CCCN1[C@@H]1CCNC1=O ZINC001420491741 890445236 /nfs/dbraw/zinc/44/52/36/890445236.db2.gz FISSOHKHWQUEAN-VHSXEESVSA-N 0 3 292.343 -1.184 20 0 CAADHN C[C@@H](CNCc1ccnn1C)NC(=O)c1nnn(C)n1 ZINC001420460985 890445445 /nfs/dbraw/zinc/44/54/45/890445445.db2.gz SZIRIMGODYQHJJ-QMMMGPOBSA-N 0 3 278.320 -1.148 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H]1CNC(=O)[C@H]1CCC(=O)N1 ZINC001420476275 890445549 /nfs/dbraw/zinc/44/55/49/890445549.db2.gz OUHVFQKGGCSPHE-GRYCIOLGSA-N 0 3 299.371 -1.147 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CCn1cnnn1 ZINC001420479039 890445668 /nfs/dbraw/zinc/44/56/68/890445668.db2.gz PYOBMHFNPGOFKS-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001420482693 890445738 /nfs/dbraw/zinc/44/57/38/890445738.db2.gz QHDNVTFEGFDZJT-RNJXMRFFSA-N 0 3 299.331 -2.187 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001420452829 890445814 /nfs/dbraw/zinc/44/58/14/890445814.db2.gz ISPUECZVRFZHON-IVZWLZJFSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)c1c[nH]c(=O)cn1 ZINC001420455623 890445866 /nfs/dbraw/zinc/44/58/66/890445866.db2.gz BVNYYIPRSHCXTQ-VIFPVBQESA-N 0 3 293.327 -1.290 20 0 CAADHN COCCn1cc(C(=O)N[C@@H](C)CNCC(N)=O)cn1 ZINC001420508369 890447605 /nfs/dbraw/zinc/44/76/05/890447605.db2.gz QSOVBNMLYWSFEX-VIFPVBQESA-N 0 3 283.332 -1.277 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CN(C)CCO ZINC001420563112 890447989 /nfs/dbraw/zinc/44/79/89/890447989.db2.gz AIWCSANONHZFHN-ZJUUUORDSA-N 0 3 295.405 -1.257 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001420501870 890448242 /nfs/dbraw/zinc/44/82/42/890448242.db2.gz JONDDQQXWVHSKI-GUBZILKMSA-N 0 3 282.344 -1.362 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)CCO ZINC001420563108 890448659 /nfs/dbraw/zinc/44/86/59/890448659.db2.gz AIWCSANONHZFHN-VHSXEESVSA-N 0 3 295.405 -1.257 20 0 CAADHN CCN1CCO[C@H](C(=O)N[C@@H](C)CNCC(=O)NC)C1 ZINC001420511606 890448916 /nfs/dbraw/zinc/44/89/16/890448916.db2.gz FQEXZUDEALKUGY-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN CC(=O)NCC(=O)NC[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001420499109 890448955 /nfs/dbraw/zinc/44/89/55/890448955.db2.gz HFWRNINFPNZOJA-NEPJUHHUSA-N 0 3 296.371 -1.209 20 0 CAADHN COC[C@@H](O)CN(C)C[C@H](C)NC(=O)CNC(C)=O ZINC001420553557 890449085 /nfs/dbraw/zinc/44/90/85/890449085.db2.gz QDEJQZBIRUAPDF-ONGXEEELSA-N 0 3 275.349 -1.434 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cn(C)c(=O)n1C ZINC001420523373 890449426 /nfs/dbraw/zinc/44/94/26/890449426.db2.gz YCCDWUQKMSHHQZ-DTWKUNHWSA-N 0 3 295.343 -1.680 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN[C@H]1CCNC1=O ZINC001420517741 890449851 /nfs/dbraw/zinc/44/98/51/890449851.db2.gz HHIVOKJNPHHMJP-ZMLRMANQSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001420525254 890450355 /nfs/dbraw/zinc/45/03/55/890450355.db2.gz WYMKXAALZHTLGT-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN[C@@H]1CCNC1=O ZINC001420517733 890450539 /nfs/dbraw/zinc/45/05/39/890450539.db2.gz HHIVOKJNPHHMJP-MVWJERBFSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCN1CCCC1=O)C(N)=O ZINC001420515004 890450610 /nfs/dbraw/zinc/45/06/10/890450610.db2.gz ZVBMPTRXKJPPRN-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001420499346 890450656 /nfs/dbraw/zinc/45/06/56/890450656.db2.gz ZTHKKWBCABPYHC-YUMQZZPRSA-N 0 3 295.343 -1.044 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001420583540 890452102 /nfs/dbraw/zinc/45/21/02/890452102.db2.gz PFIACZKGKNLQNU-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001420634888 890453122 /nfs/dbraw/zinc/45/31/22/890453122.db2.gz CMRUZFMEUYWUHK-RKDXNWHRSA-N 0 3 281.378 -1.647 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001420613360 890454608 /nfs/dbraw/zinc/45/46/08/890454608.db2.gz QHWNVEKBUYCKCR-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)CCNC(N)=O)C1 ZINC001420566168 890455651 /nfs/dbraw/zinc/45/56/51/890455651.db2.gz MZKRUOQNAGFOTL-VHSXEESVSA-N 0 3 299.375 -1.253 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N[C@@H](C)CN(C)CCO ZINC001420642668 890457398 /nfs/dbraw/zinc/45/73/98/890457398.db2.gz DRGKTAWJFCHPPO-JTQLQIEISA-N 0 3 295.405 -1.303 20 0 CAADHN COCCN(C)C[C@H](C)NC(=O)Cn1nc(C)n(C)c1=O ZINC001420656894 890457492 /nfs/dbraw/zinc/45/74/92/890457492.db2.gz DVFCJLKBMUCLTA-JTQLQIEISA-N 0 3 299.375 -1.027 20 0 CAADHN COCCC(=O)N[C@H](CNCC(=O)NC(N)=O)C1CC1 ZINC001420697633 890457668 /nfs/dbraw/zinc/45/76/68/890457668.db2.gz BDBCITLSWTWQSV-SECBINFHSA-N 0 3 286.332 -1.298 20 0 CAADHN O=C(NCCN(C1CC1)[C@@H]1CCNC1=O)c1ncn[nH]1 ZINC001420686876 890458026 /nfs/dbraw/zinc/45/80/26/890458026.db2.gz IZPQOQXNIXOPFC-SECBINFHSA-N 0 3 278.316 -1.113 20 0 CAADHN O=C(NCCN(C1CC1)[C@@H]1CCNC1=O)c1nc[nH]n1 ZINC001420686876 890458032 /nfs/dbraw/zinc/45/80/32/890458032.db2.gz IZPQOQXNIXOPFC-SECBINFHSA-N 0 3 278.316 -1.113 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001420719775 890459774 /nfs/dbraw/zinc/45/97/74/890459774.db2.gz VQEBZLUCQBYFEM-XVKPBYJWSA-N 0 3 270.333 -1.519 20 0 CAADHN COC(=O)NCC(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001420714513 890459847 /nfs/dbraw/zinc/45/98/47/890459847.db2.gz LGVSCDCCWWEWHS-VIFPVBQESA-N 0 3 286.332 -1.379 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CCn1ccnn1)C(N)=O ZINC001420719026 890460103 /nfs/dbraw/zinc/46/01/03/890460103.db2.gz ZDSNRCGEQQLVRM-JTQLQIEISA-N 0 3 282.348 -1.020 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CCN1CCCC1=O ZINC001420744587 890460207 /nfs/dbraw/zinc/46/02/07/890460207.db2.gz PNDLGKKMBDNJLH-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cccc(=O)n1C)C(N)=O ZINC001420720550 890460286 /nfs/dbraw/zinc/46/02/86/890460286.db2.gz AWYQTUGBASUCTQ-VIFPVBQESA-N 0 3 280.328 -1.079 20 0 CAADHN Cc1nnc(CC(=O)N(C)CCN[C@H]2CCN(C)C2=O)[nH]1 ZINC001420714516 890460621 /nfs/dbraw/zinc/46/06/21/890460621.db2.gz HSKXCHLXFOBRSR-JTQLQIEISA-N 0 3 294.359 -1.066 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H](C)NC(N)=O ZINC001420714416 890460872 /nfs/dbraw/zinc/46/08/72/890460872.db2.gz MVZGNGOMIWTTRT-YUMQZZPRSA-N 0 3 273.337 -1.774 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001420714002 890460451 /nfs/dbraw/zinc/46/04/51/890460451.db2.gz LUIDKHCCXNYWOF-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)c1nccnc1N)C1CC1 ZINC001420713881 890460527 /nfs/dbraw/zinc/46/05/27/890460527.db2.gz ASYCQLUGSODRTD-VIFPVBQESA-N 0 3 292.343 -1.097 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001420713996 890460605 /nfs/dbraw/zinc/46/06/05/890460605.db2.gz LUIDKHCCXNYWOF-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CC(=O)N(C)C1)C(N)=O ZINC001420721573 890460679 /nfs/dbraw/zinc/46/06/79/890460679.db2.gz ANRUOQOSHLZSOO-IUCAKERBSA-N 0 3 270.333 -1.614 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001420737597 890460741 /nfs/dbraw/zinc/46/07/41/890460741.db2.gz UCXBFRIKIIGAMQ-ZJUUUORDSA-N 0 3 298.343 -1.285 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)C(=O)NC1CC1 ZINC001420729988 890460798 /nfs/dbraw/zinc/46/07/98/890460798.db2.gz VTIVNZAZTYOOBM-IEBDPFPHSA-N 0 3 296.371 -1.177 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CCCn1cncn1 ZINC001420723812 890460818 /nfs/dbraw/zinc/46/08/18/890460818.db2.gz FRHVJADBYWHSHE-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](NC(=O)[C@@H]1CCCO1)C1CC1 ZINC001420710105 890460827 /nfs/dbraw/zinc/46/08/27/890460827.db2.gz PEDGCYBBBOINQJ-UWVGGRQHSA-N 0 3 298.343 -1.155 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)CN1CCOCC1)C1CC1)C(N)=O ZINC001420721206 890460843 /nfs/dbraw/zinc/46/08/43/890460843.db2.gz GDUSHIKIULQWIF-PWSUYJOCSA-N 0 3 298.387 -1.323 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)COC ZINC001420716646 890460867 /nfs/dbraw/zinc/46/08/67/890460867.db2.gz ZNCGYFPMVZJMRB-MRVPVSSYSA-N 0 3 274.321 -1.475 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CCC(=O)N1 ZINC001420714491 890460900 /nfs/dbraw/zinc/46/09/00/890460900.db2.gz LFICMLPKIUBZOZ-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN Cc1nnc(CC(=O)N(C)CCN[C@@H]2CCN(C)C2=O)[nH]1 ZINC001420714518 890460925 /nfs/dbraw/zinc/46/09/25/890460925.db2.gz HSKXCHLXFOBRSR-SNVBAGLBSA-N 0 3 294.359 -1.066 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001420744780 890460935 /nfs/dbraw/zinc/46/09/35/890460935.db2.gz ZPPINQVWLPGNDY-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cc(=O)n(C)cn1 ZINC001420739270 890460956 /nfs/dbraw/zinc/46/09/56/890460956.db2.gz ZXNCSCYUWFAIID-VIFPVBQESA-N 0 3 293.327 -1.670 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1)C(N)=O ZINC001420721571 890461042 /nfs/dbraw/zinc/46/10/42/890461042.db2.gz ANRUOQOSHLZSOO-DTWKUNHWSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1C[C@H]1C(N)=O)C(=O)NC1CC1 ZINC001420729981 890461123 /nfs/dbraw/zinc/46/11/23/890461123.db2.gz VTIVNZAZTYOOBM-GDPRMGEGSA-N 0 3 296.371 -1.177 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)c1cc[nH]n1 ZINC001420711873 890461156 /nfs/dbraw/zinc/46/11/56/890461156.db2.gz DZMWQMUJUNBYKK-QMMMGPOBSA-N 0 3 296.331 -1.085 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cccc(=O)n1C)C(N)=O ZINC001420720547 890461182 /nfs/dbraw/zinc/46/11/82/890461182.db2.gz AWYQTUGBASUCTQ-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001420716620 890461260 /nfs/dbraw/zinc/46/12/60/890461260.db2.gz JEPKOWLVHXNSIB-MNOVXSKESA-N 0 3 296.371 -1.115 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)CCn1cnnn1 ZINC001420744776 890461999 /nfs/dbraw/zinc/46/19/99/890461999.db2.gz ZPPINQVWLPGNDY-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)COC ZINC001420716647 890462133 /nfs/dbraw/zinc/46/21/33/890462133.db2.gz ZNCGYFPMVZJMRB-QMMMGPOBSA-N 0 3 274.321 -1.475 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)c1nccnc1N ZINC001420711358 890462208 /nfs/dbraw/zinc/46/22/08/890462208.db2.gz CJWJCBCVOQKKBJ-SECBINFHSA-N 0 3 292.343 -1.049 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)CN1CCOCC1)C1CC1)C(N)=O ZINC001420721208 890462346 /nfs/dbraw/zinc/46/23/46/890462346.db2.gz GDUSHIKIULQWIF-ZYHUDNBSSA-N 0 3 298.387 -1.323 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)c1nccnc1N)C1CC1 ZINC001420713876 890462463 /nfs/dbraw/zinc/46/24/63/890462463.db2.gz ASYCQLUGSODRTD-SECBINFHSA-N 0 3 292.343 -1.097 20 0 CAADHN Cn1ccc(C(=O)N[C@H](CNCC(N)=O)C2CC2)cc1=O ZINC001420752067 890463394 /nfs/dbraw/zinc/46/33/94/890463394.db2.gz PCBYISBMPJIIIC-LLVKDONJSA-N 0 3 292.339 -1.031 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001420748183 890464238 /nfs/dbraw/zinc/46/42/38/890464238.db2.gz XIZSIHDZWCTMEL-MRVPVSSYSA-N 0 3 292.361 -2.528 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001420746178 890464510 /nfs/dbraw/zinc/46/45/10/890464510.db2.gz UKDCVVONVJLDHQ-DTWKUNHWSA-N 0 3 287.364 -1.255 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)CCNC(N)=O)C1CC1 ZINC001420790766 890464680 /nfs/dbraw/zinc/46/46/80/890464680.db2.gz UZGKBIXXVILMNP-SNVBAGLBSA-N 0 3 299.375 -1.383 20 0 CAADHN O=C(Cn1cncn1)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001420791163 890464818 /nfs/dbraw/zinc/46/48/18/890464818.db2.gz WGRWBKQVLOWVSZ-QWRGUYRKSA-N 0 3 292.343 -1.349 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1c[nH]c(C(N)=O)c1)C(N)=O ZINC001420746522 890465074 /nfs/dbraw/zinc/46/50/74/890465074.db2.gz SPWZXWLIYCRQBY-ZETCQYMHSA-N 0 3 281.316 -1.351 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CN1CCCNC1=O ZINC001420752622 890465090 /nfs/dbraw/zinc/46/50/90/890465090.db2.gz WJMGGCLPNMOOED-JTQLQIEISA-N 0 3 297.359 -1.662 20 0 CAADHN Cn1cc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)n(C)c1=O ZINC001420799505 890465121 /nfs/dbraw/zinc/46/51/21/890465121.db2.gz PMLGKWWIYFCLSV-VIFPVBQESA-N 0 3 295.343 -1.693 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001420746183 890465240 /nfs/dbraw/zinc/46/52/40/890465240.db2.gz UKDCVVONVJLDHQ-RKDXNWHRSA-N 0 3 287.364 -1.255 20 0 CAADHN Cn1cc(C(=O)N[C@H](CNCC(N)=O)C2CC2)n(C)c1=O ZINC001420799500 890465302 /nfs/dbraw/zinc/46/53/02/890465302.db2.gz PMLGKWWIYFCLSV-SECBINFHSA-N 0 3 295.343 -1.693 20 0 CAADHN CCCN(C(=O)Cn1cnnn1)[C@H]1CCN(CCO)C1 ZINC001420807002 890465506 /nfs/dbraw/zinc/46/55/06/890465506.db2.gz AEONUODEKKXFEG-NSHDSACASA-N 0 3 282.348 -1.022 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)CCc1cn(C)nn1 ZINC001420746356 890465690 /nfs/dbraw/zinc/46/56/90/890465690.db2.gz NZXVRJWRFFKECH-NSHDSACASA-N 0 3 294.359 -1.316 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)Cn2ncnn2)C1 ZINC001420854131 890468052 /nfs/dbraw/zinc/46/80/52/890468052.db2.gz MXIFDHLAYHXQQN-SNVBAGLBSA-N 0 3 295.347 -1.753 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)Cn2cnnn2)C1 ZINC001420828958 890469590 /nfs/dbraw/zinc/46/95/90/890469590.db2.gz WUPFYFJJFFGWCB-ZJUUUORDSA-N 0 3 295.347 -1.625 20 0 CAADHN CC[C@H](NC1(CNC(=O)Cn2cnnn2)CC1)C(N)=O ZINC001420907377 890471378 /nfs/dbraw/zinc/47/13/78/890471378.db2.gz BFLFVKOGIYRQOU-QMMMGPOBSA-N 0 3 281.320 -1.825 20 0 CAADHN NC(=O)N1CC[C@H](CNC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC001420930712 890471361 /nfs/dbraw/zinc/47/13/61/890471361.db2.gz NOZOBBABRUOEFL-VXGBXAGGSA-N 0 3 295.387 -1.107 20 0 CAADHN CC[C@@H](NC1(CNC(=O)Cn2cnnn2)CC1)C(N)=O ZINC001420907375 890473137 /nfs/dbraw/zinc/47/31/37/890473137.db2.gz BFLFVKOGIYRQOU-MRVPVSSYSA-N 0 3 281.320 -1.825 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H]1CCN1CC(=O)NC(N)=O ZINC001420896131 890473503 /nfs/dbraw/zinc/47/35/03/890473503.db2.gz QCCDZDQZQRKDLK-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN NC(=O)N1CC[C@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC001420930691 890473442 /nfs/dbraw/zinc/47/34/42/890473442.db2.gz NOZOBBABRUOEFL-NEPJUHHUSA-N 0 3 295.387 -1.107 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CCCc3n[nH]nc32)CC1 ZINC001420974169 890475249 /nfs/dbraw/zinc/47/52/49/890475249.db2.gz GHLKOWWVVKVNTM-QMMMGPOBSA-N 0 3 292.343 -1.052 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)[C@H]2CNC(=O)N2)CC1 ZINC001420958606 890475691 /nfs/dbraw/zinc/47/56/91/890475691.db2.gz YUCQQAQSSFZBGV-SNVBAGLBSA-N 0 3 297.359 -1.677 20 0 CAADHN O=C(NCC1(N[C@H]2CCCNC2=O)CC1)[C@@H]1COC(=O)N1 ZINC001420934857 890475982 /nfs/dbraw/zinc/47/59/82/890475982.db2.gz ZRWNCNVZQSRHRI-IUCAKERBSA-N 0 3 296.327 -1.388 20 0 CAADHN O=C(NC[C@@H](O)Cn1ccnn1)[C@@H]1CN2CCN1CCC2 ZINC001420964873 890476656 /nfs/dbraw/zinc/47/66/56/890476656.db2.gz OFZVSCJCIATBEA-NEPJUHHUSA-N 0 3 294.359 -1.855 20 0 CAADHN COC[C@@H](O)CN1CC(N(C)C(=O)CCc2cnn[nH]2)C1 ZINC001421081847 890485020 /nfs/dbraw/zinc/48/50/20/890485020.db2.gz RRXVWYFYIMDLJK-LBPRGKRZSA-N 0 3 297.359 -1.113 20 0 CAADHN CS(=O)(=O)CC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001421101096 890485652 /nfs/dbraw/zinc/48/56/52/890485652.db2.gz CQSMOIFWLJPFCL-QMMMGPOBSA-N 0 3 277.346 -1.903 20 0 CAADHN CNS(=O)(=O)CCC(=O)NCC1CN(C[C@H](C)O)C1 ZINC001421124077 890487124 /nfs/dbraw/zinc/48/71/24/890487124.db2.gz CYLJLADHRQDXEN-VIFPVBQESA-N 0 3 293.389 -1.646 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)Cn1cnnn1)C1CCCC1 ZINC001421146448 890487330 /nfs/dbraw/zinc/48/73/30/890487330.db2.gz ASVHGMLCAJZMBE-JTQLQIEISA-N 0 3 295.347 -1.577 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001421113897 890488541 /nfs/dbraw/zinc/48/85/41/890488541.db2.gz HQQIULBRVAHQMF-WDEREUQCSA-N 0 3 285.344 -1.680 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)c1cnn(C)n1 ZINC001421132193 890488887 /nfs/dbraw/zinc/48/88/87/890488887.db2.gz FJCVBGIIEOXYGB-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001421112511 890488932 /nfs/dbraw/zinc/48/89/32/890488932.db2.gz OHCWFMOEODTMQM-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN NC(=O)CCCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001421142234 890488947 /nfs/dbraw/zinc/48/89/47/890488947.db2.gz XUGWAKPELVBKKJ-VIFPVBQESA-N 0 3 270.333 -1.292 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001421112516 890489089 /nfs/dbraw/zinc/48/90/89/890489089.db2.gz OHCWFMOEODTMQM-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CCCC(=O)N1CCC[C@@H]1CNCC(N)=O ZINC001421119154 890489137 /nfs/dbraw/zinc/48/91/37/890489137.db2.gz KKGNYXKMCILZDF-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CCCC1 ZINC001421175940 890490509 /nfs/dbraw/zinc/49/05/09/890490509.db2.gz ZOOFWXCFNOOSLX-ZJUUUORDSA-N 0 3 297.359 -1.582 20 0 CAADHN COC[C@H](O)CN1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001421218046 890490789 /nfs/dbraw/zinc/49/07/89/890490789.db2.gz HYPAEWMFJWDMAU-SKDRFNHKSA-N 0 3 298.347 -1.588 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H]1CCN(CCCO)C1 ZINC001421227587 890490945 /nfs/dbraw/zinc/49/09/45/890490945.db2.gz HBWKRLJHIYPJCD-JTQLQIEISA-N 0 3 293.389 -1.501 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CCCC1 ZINC001421175937 890490960 /nfs/dbraw/zinc/49/09/60/890490960.db2.gz ZOOFWXCFNOOSLX-UWVGGRQHSA-N 0 3 297.359 -1.582 20 0 CAADHN COC[C@H](O)CN1CC[C@@](C)(NC(=O)Cn2ncnn2)C1 ZINC001421209734 890491275 /nfs/dbraw/zinc/49/12/75/890491275.db2.gz PVUKQLXRTSJDIC-ZYHUDNBSSA-N 0 3 298.347 -1.739 20 0 CAADHN CN(CC(=O)N[C@@]1(C)CCN(CCO)C1)S(C)(=O)=O ZINC001421200943 890492448 /nfs/dbraw/zinc/49/24/48/890492448.db2.gz DXPUBGIVHAFQFY-NSHDSACASA-N 0 3 293.389 -1.549 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CCCC1 ZINC001421175938 890492500 /nfs/dbraw/zinc/49/25/00/890492500.db2.gz ZOOFWXCFNOOSLX-VHSXEESVSA-N 0 3 297.359 -1.582 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cn2cncn2)CCOCC1 ZINC001421324521 890494091 /nfs/dbraw/zinc/49/40/91/890494091.db2.gz AWKQAERAQODENO-UHFFFAOYSA-N 0 3 296.331 -1.982 20 0 CAADHN Cc1nonc1C(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001421320780 890495125 /nfs/dbraw/zinc/49/51/25/890495125.db2.gz QDZLFIXTAVQHCM-UHFFFAOYSA-N 0 3 297.315 -1.268 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2CCCO2)CCOCC1 ZINC001421296591 890495522 /nfs/dbraw/zinc/49/55/22/890495522.db2.gz HQRVZQSJGVSVKL-SNVBAGLBSA-N 0 3 285.344 -1.094 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@@H](C)NC(C)=O)C1 ZINC001421331120 890495701 /nfs/dbraw/zinc/49/57/01/890495701.db2.gz ORFBCASGGOIUEA-ZWNOBZJWSA-N 0 3 287.360 -1.290 20 0 CAADHN CC[C@@H](CNC(=O)Cn1cnnn1)N[C@H]1CCNC1=O ZINC001421362249 890497959 /nfs/dbraw/zinc/49/79/59/890497959.db2.gz FFRGIAIUVLYGOX-IUCAKERBSA-N 0 3 281.320 -1.954 20 0 CAADHN Cc1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)ncn1 ZINC001421360085 890498909 /nfs/dbraw/zinc/49/89/09/890498909.db2.gz UWCNEQSUKRZTEA-CYBMUJFWSA-N 0 3 280.328 -1.056 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001421347922 890499913 /nfs/dbraw/zinc/49/99/13/890499913.db2.gz LPFMPZFQSQENJT-RISCZKNCSA-N 0 3 299.371 -1.336 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@H]1COC(=O)N1 ZINC001421353316 890500171 /nfs/dbraw/zinc/50/01/71/890500171.db2.gz GGPJPYPPUUWDBL-KCJUWKMLSA-N 0 3 273.289 -2.360 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@]1(F)CCOC1 ZINC001421374865 890502422 /nfs/dbraw/zinc/50/24/22/890502422.db2.gz JEHQULPBGLUCAX-NEPJUHHUSA-N 0 3 276.308 -1.340 20 0 CAADHN CC[C@H](CNC(=O)CN1CCOCC1)NCC(N)=O ZINC001421394642 890502936 /nfs/dbraw/zinc/50/29/36/890502936.db2.gz XMCYBSJSJVQGOI-SNVBAGLBSA-N 0 3 272.349 -1.712 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001421369339 890503187 /nfs/dbraw/zinc/50/31/87/890503187.db2.gz KBFAGEFGXCJFOJ-CYBMUJFWSA-N 0 3 298.343 -1.061 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)[C@H]1CNC(=O)N1 ZINC001421376865 890503805 /nfs/dbraw/zinc/50/38/05/890503805.db2.gz MPMDLYDAGSSIRP-LDYMZIIASA-N 0 3 272.305 -2.787 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@@]1(F)CCOC1 ZINC001421374875 890504301 /nfs/dbraw/zinc/50/43/01/890504301.db2.gz JEHQULPBGLUCAX-NWDGAFQWSA-N 0 3 276.308 -1.340 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1n[nH]cc1F ZINC001421377669 890505032 /nfs/dbraw/zinc/50/50/32/890505032.db2.gz PBEDVPALNXGTNA-LLVKDONJSA-N 0 3 272.280 -1.292 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001421384797 890505125 /nfs/dbraw/zinc/50/51/25/890505125.db2.gz BTTHMNLBNXCSIL-CYBMUJFWSA-N 0 3 297.359 -1.235 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2c[nH]c(=O)n2C)C1 ZINC001421369340 890505146 /nfs/dbraw/zinc/50/51/46/890505146.db2.gz KBFAGEFGXCJFOJ-ZDUSSCGKSA-N 0 3 298.343 -1.061 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001421392034 890505167 /nfs/dbraw/zinc/50/51/67/890505167.db2.gz UJMATKYPWUJNRZ-CYBMUJFWSA-N 0 3 282.344 -1.263 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cnn2cc[nH]c12 ZINC001421384991 890505246 /nfs/dbraw/zinc/50/52/46/890505246.db2.gz AYEPJUDHPPTRPB-CYBMUJFWSA-N 0 3 293.327 -1.179 20 0 CAADHN CC[C@H](CNC(C)=O)NCC(=O)N1CCNC(=O)C1 ZINC001421371789 890505275 /nfs/dbraw/zinc/50/52/75/890505275.db2.gz ZBATUQXKQODKOQ-SNVBAGLBSA-N 0 3 270.333 -1.551 20 0 CAADHN CC[C@H](CNC(=O)CS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001421399293 890507172 /nfs/dbraw/zinc/50/71/72/890507172.db2.gz ZLUVFTQTVXWFIQ-JGVFFNPUSA-N 0 3 279.362 -1.611 20 0 CAADHN CC[C@H](CNC(=O)CS(C)(=O)=O)N[C@H](C)C(N)=O ZINC001421399290 890507233 /nfs/dbraw/zinc/50/72/33/890507233.db2.gz ZLUVFTQTVXWFIQ-HTQZYQBOSA-N 0 3 279.362 -1.611 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)NC(N)=O)NCC(=O)NC ZINC001421406330 890507624 /nfs/dbraw/zinc/50/76/24/890507624.db2.gz LPFIIMKWYHRWDA-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN CC[C@@H](CNC(=O)c1cnc2n1CCOC2)NCC(N)=O ZINC001421413384 890507919 /nfs/dbraw/zinc/50/79/19/890507919.db2.gz JZGLLTAWRMKAPJ-VIFPVBQESA-N 0 3 295.343 -1.003 20 0 CAADHN CC[C@H](CNC(=O)c1cc(=O)n(C)cn1)NCC(N)=O ZINC001421410308 890508709 /nfs/dbraw/zinc/50/87/09/890508709.db2.gz DSRIQYRFDKDGJK-MRVPVSSYSA-N 0 3 281.316 -1.636 20 0 CAADHN CC[C@@H](CNC(=O)[C@]1(C)CCNC(=O)C1)NCC(N)=O ZINC001421416175 890510910 /nfs/dbraw/zinc/51/09/10/890510910.db2.gz DMKFZWNKONEJJT-TVQRCGJNSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@@H](CNC(=O)c1cnc2n[nH]nc2c1)NCC(N)=O ZINC001421421102 890511753 /nfs/dbraw/zinc/51/17/53/890511753.db2.gz JQNFNPVWSDCDSJ-QMMMGPOBSA-N 0 3 291.315 -1.064 20 0 CAADHN CC(=O)NC1(CNCC(=O)N2CCNC(=O)C2)CCCC1 ZINC001421482392 890514849 /nfs/dbraw/zinc/51/48/49/890514849.db2.gz FJORCGSONIWKQF-UHFFFAOYSA-N 0 3 296.371 -1.017 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2CNC(=O)N2)CCCC1 ZINC001421510404 890517018 /nfs/dbraw/zinc/51/70/18/890517018.db2.gz CPXSOUSIHGPFLE-MRVPVSSYSA-N 0 3 283.332 -1.828 20 0 CAADHN O=C(c1ncccn1)N(CCO)CCN[C@H]1CCNC1=O ZINC001421638265 890519465 /nfs/dbraw/zinc/51/94/65/890519465.db2.gz XREAYYDQEUUYBO-JTQLQIEISA-N 0 3 293.327 -1.611 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H]1CCCN1C(=O)COC ZINC001421637470 890519905 /nfs/dbraw/zinc/51/99/05/890519905.db2.gz NNKGUWMMXREAKV-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN Cc1c[nH]nc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001421635305 890520056 /nfs/dbraw/zinc/52/00/56/890520056.db2.gz LUTCGUIEPKQJCT-VIFPVBQESA-N 0 3 283.332 -1.384 20 0 CAADHN Cc1c(C(=O)N(CCO)CCN[C@H](C)C(N)=O)nnn1C ZINC001421633779 890520337 /nfs/dbraw/zinc/52/03/37/890520337.db2.gz HNEPAAZGFNPEBE-MRVPVSSYSA-N 0 3 298.347 -1.979 20 0 CAADHN O=C(N[C@]1(CO)CCCN(CCCO)C1)[C@@H]1CCC(=O)N1 ZINC001421624246 890520450 /nfs/dbraw/zinc/52/04/50/890520450.db2.gz UGKRQXDPIRRKIW-SMDDNHRTSA-N 0 3 299.371 -1.410 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)on1 ZINC001421639111 890520791 /nfs/dbraw/zinc/52/07/91/890520791.db2.gz JIUYCDSQWROIOI-SECBINFHSA-N 0 3 284.316 -1.119 20 0 CAADHN O=C(c1cocn1)N(CCO)CCN[C@H]1CCCNC1=O ZINC001421633609 890521069 /nfs/dbraw/zinc/52/10/69/890521069.db2.gz GPHRRJWCFZLPNN-JTQLQIEISA-N 0 3 296.327 -1.023 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cnnn1C)C(N)=O ZINC001421633089 890521394 /nfs/dbraw/zinc/52/13/94/890521394.db2.gz CUYUIRPQMXJXEE-VIFPVBQESA-N 0 3 298.347 -1.897 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1ccn(C)c1)C(N)=O ZINC001421632767 890521437 /nfs/dbraw/zinc/52/14/37/890521437.db2.gz BOABBIWJQOLUIY-SNVBAGLBSA-N 0 3 282.344 -1.077 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cnn(C)c1)C(N)=O ZINC001421637278 890521914 /nfs/dbraw/zinc/52/19/14/890521914.db2.gz FCEQMAKICSAMRN-LLVKDONJSA-N 0 3 297.359 -1.292 20 0 CAADHN CCN1CCC[C@](CO)(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001421625285 890521971 /nfs/dbraw/zinc/52/19/71/890521971.db2.gz OKANHCNUQAHNFE-WDMOLILDSA-N 0 3 299.371 -1.018 20 0 CAADHN C[C@H](O)CN1CCC[C@@](CO)(NC(=O)c2nnc[nH]2)C1 ZINC001421611861 890522061 /nfs/dbraw/zinc/52/20/61/890522061.db2.gz ISHPIWFWDJMPJE-JOYOIKCWSA-N 0 3 283.332 -1.258 20 0 CAADHN C[C@H](O)CN1CCC[C@](CO)(NC(=O)c2nnc[nH]2)C1 ZINC001421611855 890522995 /nfs/dbraw/zinc/52/29/95/890522995.db2.gz ISHPIWFWDJMPJE-CABZTGNLSA-N 0 3 283.332 -1.258 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C[C@@H]1CCOC1)C(N)=O ZINC001421639617 890523939 /nfs/dbraw/zinc/52/39/39/890523939.db2.gz XJYUOIOUVLGGOG-MNOVXSKESA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)NC(=O)CCN1CCC(S(N)(=O)=O)CC1 ZINC001421654406 890524244 /nfs/dbraw/zinc/52/42/44/890524244.db2.gz MUYMPYBZJPLDST-UHFFFAOYSA-N 0 3 292.361 -1.415 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)c2cc[nH]n2)C1=O ZINC001421646152 890524809 /nfs/dbraw/zinc/52/48/09/890524809.db2.gz WHOQYSIMMYZYQX-JTQLQIEISA-N 0 3 295.343 -1.336 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@H]1CCCOC1)C(N)=O ZINC001421645337 890525282 /nfs/dbraw/zinc/52/52/82/890525282.db2.gz SZNMOLWYWBVSMB-MNOVXSKESA-N 0 3 287.360 -1.303 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)[C@H]2CCOC2)C1=O ZINC001421640551 890525788 /nfs/dbraw/zinc/52/57/88/890525788.db2.gz KHAALDIPXMJMBI-NWDGAFQWSA-N 0 3 299.371 -1.336 20 0 CAADHN CCO[C@@H](C)C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001421642519 890525886 /nfs/dbraw/zinc/52/58/86/890525886.db2.gz OCDDILHCWOLGSM-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CCn1cc(C(=O)N2CCC[C@@H]2CNCC(N)=O)nn1 ZINC001421651083 890525916 /nfs/dbraw/zinc/52/59/16/890525916.db2.gz UEZAXMJIJVTMQX-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN CCn1ncc(C(=O)N2CCC[C@@H]2CNCC(N)=O)n1 ZINC001421644468 890525942 /nfs/dbraw/zinc/52/59/42/890525942.db2.gz NVTGGCLROKFUMU-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cn[nH]c1 ZINC001421645386 890526272 /nfs/dbraw/zinc/52/62/72/890526272.db2.gz VDDNBVVHWRYKAJ-SECBINFHSA-N 0 3 283.332 -1.432 20 0 CAADHN C[C@H](NC[C@H]1CCCCN1C(=O)Cn1ncnn1)C(N)=O ZINC001421700039 890528586 /nfs/dbraw/zinc/52/85/86/890528586.db2.gz DYVHWAFSCKUWFJ-VHSXEESVSA-N 0 3 295.347 -1.482 20 0 CAADHN C[C@@H](O)CN1CCN(CCC(=O)NC(N)=O)[C@H](C)C1 ZINC001421727773 890529017 /nfs/dbraw/zinc/52/90/17/890529017.db2.gz PCFKINVZEIVIRD-NXEZZACHSA-N 0 3 272.349 -1.042 20 0 CAADHN CCN(C)C(=O)CNC[C@H]1CN(C(=O)COC)CCO1 ZINC001421790298 890530666 /nfs/dbraw/zinc/53/06/66/890530666.db2.gz XAIPBUOKOYRJQP-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN Cc1ccc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)nn1 ZINC001421790263 890530956 /nfs/dbraw/zinc/53/09/56/890530956.db2.gz IAKFNNCJWISCBZ-SNVBAGLBSA-N 0 3 293.327 -1.299 20 0 CAADHN C[C@@H](C(=O)N1CCO[C@@H](CNCC(N)=O)C1)n1cncn1 ZINC001421788543 890531692 /nfs/dbraw/zinc/53/16/92/890531692.db2.gz DWEDIUZMZDTICK-UWVGGRQHSA-N 0 3 296.331 -1.859 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1 ZINC001421784430 890531769 /nfs/dbraw/zinc/53/17/69/890531769.db2.gz IRSBJUYYJRJNQC-LLVKDONJSA-N 0 3 295.343 -1.403 20 0 CAADHN NC(=O)CNC1(CNC(=O)CN2CCNC(=O)C2)CCC1 ZINC001421759391 890531865 /nfs/dbraw/zinc/53/18/65/890531865.db2.gz XSEYJCIKPPCSDN-UHFFFAOYSA-N 0 3 297.359 -2.468 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CN2CCCC2=O)CCO1 ZINC001421788474 890532014 /nfs/dbraw/zinc/53/20/14/890532014.db2.gz RTWMBQALTKOWNX-SNVBAGLBSA-N 0 3 298.343 -2.089 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CCOC2)CCO1 ZINC001421798018 890534088 /nfs/dbraw/zinc/53/40/88/890534088.db2.gz YVQSOGWXLSBKSS-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H]1CN(CC(N)=O)CCO1 ZINC001421805062 890534396 /nfs/dbraw/zinc/53/43/96/890534396.db2.gz XXFVDTQZLOKQBE-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCO1 ZINC001421804568 890534471 /nfs/dbraw/zinc/53/44/71/890534471.db2.gz PBSJSDRISOREIE-KKOKHZNYSA-N 0 3 297.355 -1.144 20 0 CAADHN COC(=O)NCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001421793891 890535245 /nfs/dbraw/zinc/53/52/45/890535245.db2.gz CAONVTRUSZTSTQ-QMMMGPOBSA-N 0 3 288.304 -2.355 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cnns2)CCO1 ZINC001421794003 890535631 /nfs/dbraw/zinc/53/56/31/890535631.db2.gz CHCBOOMGCRJLKJ-QMMMGPOBSA-N 0 3 299.356 -1.285 20 0 CAADHN CC(=O)NCC(=O)NCC1(NCC(N)=O)CCCC1 ZINC001421799003 890535763 /nfs/dbraw/zinc/53/57/63/890535763.db2.gz KUCVAKQLYJNKPB-UHFFFAOYSA-N 0 3 270.333 -1.374 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001421809868 890535896 /nfs/dbraw/zinc/53/58/96/890535896.db2.gz YGQFZLINABHONQ-NSHDSACASA-N 0 3 295.343 -1.072 20 0 CAADHN CCn1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)cn1 ZINC001421801617 890536408 /nfs/dbraw/zinc/53/64/08/890536408.db2.gz LQVWQWYIQFNJRL-LLVKDONJSA-N 0 3 295.343 -1.181 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1nccnc1N ZINC001421866215 890536452 /nfs/dbraw/zinc/53/64/52/890536452.db2.gz AGEAWALJINFHSL-MRVPVSSYSA-N 0 3 280.332 -1.145 20 0 CAADHN CCO[C@@H](C)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001421809626 890536489 /nfs/dbraw/zinc/53/64/89/890536489.db2.gz XEQKOURLRWYBFB-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CCn2ccnn2)CCO1 ZINC001421793441 890536535 /nfs/dbraw/zinc/53/65/35/890536535.db2.gz NYWXZYUPXHEEEF-SNVBAGLBSA-N 0 3 296.331 -2.030 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001421808577 890536626 /nfs/dbraw/zinc/53/66/26/890536626.db2.gz NKDMSIHERFCKPX-SNVBAGLBSA-N 0 3 295.343 -1.403 20 0 CAADHN COC(=O)NCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001421793885 890536668 /nfs/dbraw/zinc/53/66/68/890536668.db2.gz CAONVTRUSZTSTQ-MRVPVSSYSA-N 0 3 288.304 -2.355 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C2CCC(O)CC2)CCO1 ZINC001421792226 890536686 /nfs/dbraw/zinc/53/66/86/890536686.db2.gz LCWUVECXZUPJFQ-MCIGGMRASA-N 0 3 299.371 -1.160 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)Cc2cnc[nH]2)CCO1 ZINC001421812389 890536878 /nfs/dbraw/zinc/53/68/78/890536878.db2.gz AJDAEKLQYWICSU-LLVKDONJSA-N 0 3 295.343 -1.485 20 0 CAADHN CCO[C@H](C)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001421809633 890536888 /nfs/dbraw/zinc/53/68/88/890536888.db2.gz XEQKOURLRWYBFB-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)Cn2ccnc2)CCO1)C(N)=O ZINC001421825107 890536914 /nfs/dbraw/zinc/53/69/14/890536914.db2.gz JRPMDCKZNMDRRO-GHMZBOCLSA-N 0 3 295.343 -1.426 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CN1CCOCC1 ZINC001421885404 890537937 /nfs/dbraw/zinc/53/79/37/890537937.db2.gz HLWOHNKNBQXJCU-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN COC[C@H](C)C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001421877833 890537971 /nfs/dbraw/zinc/53/79/71/890537971.db2.gz GFQNABKGWVDSQM-IUCAKERBSA-N 0 3 288.348 -1.100 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@H](C)CNCC(N)=O ZINC001421880159 890538361 /nfs/dbraw/zinc/53/83/61/890538361.db2.gz YIHVRYSXPZUDQD-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)N(C)C(=O)Cn1cnnn1 ZINC001421878524 890538449 /nfs/dbraw/zinc/53/84/49/890538449.db2.gz WBDDHBSPKFETPR-NXEZZACHSA-N 0 3 297.363 -1.414 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001421894969 890538515 /nfs/dbraw/zinc/53/85/15/890538515.db2.gz ZNITUPCMRJHDJV-QMMMGPOBSA-N 0 3 291.373 -1.787 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001421885174 890538533 /nfs/dbraw/zinc/53/85/33/890538533.db2.gz JBRRVSFMCHACTP-WCBMZHEXSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CCn1ccnn1 ZINC001421899154 890538612 /nfs/dbraw/zinc/53/86/12/890538612.db2.gz VOXJPXCKLGNOPY-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001421880160 890538753 /nfs/dbraw/zinc/53/87/53/890538753.db2.gz YIHVRYSXPZUDQD-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)Cn1cnnn1 ZINC001421869129 890538849 /nfs/dbraw/zinc/53/88/49/890538849.db2.gz HVEHSHQJZVUVKB-NXEZZACHSA-N 0 3 295.347 -1.660 20 0 CAADHN COC(=O)NCC(=O)N(C)[C@@H](C)CNCC(=O)N(C)C ZINC001421889662 890538957 /nfs/dbraw/zinc/53/89/57/890538957.db2.gz ZRGMLSBVRAHXMB-VIFPVBQESA-N 0 3 288.348 -1.133 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001421885164 890538982 /nfs/dbraw/zinc/53/89/82/890538982.db2.gz JBRRVSFMCHACTP-PSASIEDQSA-N 0 3 298.343 -1.190 20 0 CAADHN COC[C@H](C)C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001421876812 890539057 /nfs/dbraw/zinc/53/90/57/890539057.db2.gz GFQNABKGWVDSQM-DTWKUNHWSA-N 0 3 288.348 -1.100 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cn2c(n1)COCC2 ZINC001421913405 890539101 /nfs/dbraw/zinc/53/91/01/890539101.db2.gz QXUMYIAXIRLWOE-VIFPVBQESA-N 0 3 295.343 -1.051 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001421885169 890539493 /nfs/dbraw/zinc/53/94/93/890539493.db2.gz JBRRVSFMCHACTP-SCZZXKLOSA-N 0 3 298.343 -1.190 20 0 CAADHN COC[C@@H](C)C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O ZINC001421876810 890539526 /nfs/dbraw/zinc/53/95/26/890539526.db2.gz GFQNABKGWVDSQM-BDAKNGLRSA-N 0 3 288.348 -1.100 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)CN1CCOCC1 ZINC001421885392 890539554 /nfs/dbraw/zinc/53/95/54/890539554.db2.gz HLWOHNKNBQXJCU-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cocn1 ZINC001421882739 890539828 /nfs/dbraw/zinc/53/98/28/890539828.db2.gz NWTWWYLWWLARGD-SSDOTTSWSA-N 0 3 283.288 -1.080 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001421896552 890539849 /nfs/dbraw/zinc/53/98/49/890539849.db2.gz KXMJDOFJWRRZEZ-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)c1ncc[nH]1 ZINC001421876476 890539876 /nfs/dbraw/zinc/53/98/76/890539876.db2.gz MUYLGQNKLLOWGR-MRVPVSSYSA-N 0 3 296.331 -1.085 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001421885303 890539981 /nfs/dbraw/zinc/53/99/81/890539981.db2.gz JFIASOQAURADTD-YUMQZZPRSA-N 0 3 272.305 -1.723 20 0 CAADHN C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)Cn1cnnn1 ZINC001421869132 890540284 /nfs/dbraw/zinc/54/02/84/890540284.db2.gz HVEHSHQJZVUVKB-VHSXEESVSA-N 0 3 295.347 -1.660 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)NC ZINC001421890036 890540646 /nfs/dbraw/zinc/54/06/46/890540646.db2.gz NYOWSHSDVWHCPC-BDAKNGLRSA-N 0 3 287.364 -1.514 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CCc1cnn(C)n1 ZINC001421948358 890541904 /nfs/dbraw/zinc/54/19/04/890541904.db2.gz WYKPJXCISZPAFD-SNVBAGLBSA-N 0 3 296.375 -1.070 20 0 CAADHN CCCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001421949527 890542182 /nfs/dbraw/zinc/54/21/82/890542182.db2.gz UFKHMNGDHOIIAC-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1COC2(CN(CC(N)=O)C2)C1)N(C)C ZINC001421950804 890542557 /nfs/dbraw/zinc/54/25/57/890542557.db2.gz WFTQQJPLRXEPIY-WDEREUQCSA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001421942340 890543227 /nfs/dbraw/zinc/54/32/27/890543227.db2.gz QUVPVKCQBLSRJE-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001421976359 890543447 /nfs/dbraw/zinc/54/34/47/890543447.db2.gz CTQQSLFZPXHEHI-ZJUUUORDSA-N 0 3 299.375 -1.288 20 0 CAADHN COc1c[nH]c(C(=O)N(C)[C@@H](C)CNCC(N)=O)cc1=O ZINC001421921273 890543631 /nfs/dbraw/zinc/54/36/31/890543631.db2.gz FONVZGSQHVVNAJ-QMMMGPOBSA-N 0 3 296.327 -1.081 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)CCc1cnn(C)n1 ZINC001421948354 890543676 /nfs/dbraw/zinc/54/36/76/890543676.db2.gz WYKPJXCISZPAFD-JTQLQIEISA-N 0 3 296.375 -1.070 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001421949524 890543857 /nfs/dbraw/zinc/54/38/57/890543857.db2.gz UFKHMNGDHOIIAC-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001421937072 890544038 /nfs/dbraw/zinc/54/40/38/890544038.db2.gz ZXPCBJWPLUMMKF-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@@H](O)C1(O)CCOCC1 ZINC001422014460 890546341 /nfs/dbraw/zinc/54/63/41/890546341.db2.gz VCUUGXFBZVGICL-HBNTYKKESA-N 0 3 289.328 -1.191 20 0 CAADHN CCOCC(=O)N1C[C@H](NCC(=O)NC(N)=O)[C@@H](C)C1 ZINC001422033025 890546684 /nfs/dbraw/zinc/54/66/84/890546684.db2.gz PQXFTEBGWFMESI-IUCAKERBSA-N 0 3 286.332 -1.346 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2cncnc2)CCOCC1 ZINC001421990993 890546867 /nfs/dbraw/zinc/54/68/67/890546867.db2.gz TUMRAQWALUUTSN-UHFFFAOYSA-N 0 3 293.327 -1.170 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)CCNC(N)=O)C[C@@H]1C ZINC001422040499 890546987 /nfs/dbraw/zinc/54/69/87/890546987.db2.gz ABLMDTWDFRSFTN-UWVGGRQHSA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccc(C(N)=O)cn1 ZINC001422001678 890547114 /nfs/dbraw/zinc/54/71/14/890547114.db2.gz JAKIWWOROZSEPX-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)Cn1cncn1 ZINC001422001847 890547845 /nfs/dbraw/zinc/54/78/45/890547845.db2.gz ZZDYYJLUNXFHPF-ZJUUUORDSA-N 0 3 280.332 -1.397 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](NCC(N)=O)C(C)C ZINC001422087594 890549411 /nfs/dbraw/zinc/54/94/11/890549411.db2.gz ITLAVUKWNIIZTH-SECBINFHSA-N 0 3 272.349 -1.272 20 0 CAADHN C[C@@H](NCC1(O)CCN(C(=O)[C@@H]2CCCO2)CC1)C(N)=O ZINC001422092401 890550452 /nfs/dbraw/zinc/55/04/52/890550452.db2.gz HMLJNXFAAHPUCG-MNOVXSKESA-N 0 3 299.371 -1.018 20 0 CAADHN CC(C)[C@H](CNC(=O)c1ccc(=O)n(C)n1)NCC(N)=O ZINC001422136259 890551314 /nfs/dbraw/zinc/55/13/14/890551314.db2.gz FOSVEYGAODNGRN-JTQLQIEISA-N 0 3 295.343 -1.390 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CNC(=O)C1CC1)C(C)C ZINC001422077396 890551463 /nfs/dbraw/zinc/55/14/63/890551463.db2.gz YZPPZNLEDFBTFW-NSHDSACASA-N 0 3 298.387 -1.011 20 0 CAADHN CC(C)[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NCC(N)=O ZINC001422136264 890551479 /nfs/dbraw/zinc/55/14/79/890551479.db2.gz FOSVEYGAODNGRN-SNVBAGLBSA-N 0 3 295.343 -1.390 20 0 CAADHN NS(=O)(=O)NC1CCN(C[C@@]2(O)CCCOC2)CC1 ZINC001422141885 890551539 /nfs/dbraw/zinc/55/15/39/890551539.db2.gz CSWHMYRWASGNSR-NSHDSACASA-N 0 3 293.389 -1.215 20 0 CAADHN COCC(=O)N(C)CC(=O)N(C)CCN(C)C[C@H](C)O ZINC001422164643 890553051 /nfs/dbraw/zinc/55/30/51/890553051.db2.gz WUQMYOZHBNFINX-NSHDSACASA-N 0 3 289.376 -1.138 20 0 CAADHN CC(=O)NCC(=O)NC1(CO)CCN(C[C@@H](C)O)CC1 ZINC001422199741 890553320 /nfs/dbraw/zinc/55/33/20/890553320.db2.gz WWADGPVCCPWJKW-SNVBAGLBSA-N 0 3 287.360 -1.554 20 0 CAADHN NC(=O)C1(NC[C@@H]2CNC(=O)C2)CCS(=O)(=O)CC1 ZINC001422164463 890553702 /nfs/dbraw/zinc/55/37/02/890553702.db2.gz WXGVETZSEDYIIL-QMMMGPOBSA-N 0 3 289.357 -1.855 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)CNC(C)=O ZINC001422440513 890592536 /nfs/dbraw/zinc/59/25/36/890592536.db2.gz SPHWTEYLZCZGKL-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)CCn1ncn(C)c1=O ZINC001422180868 890555166 /nfs/dbraw/zinc/55/51/66/890555166.db2.gz AOKMOEBNSNSACN-LLVKDONJSA-N 0 3 299.375 -1.257 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@@H]1COC(=O)N1 ZINC001422199033 890555698 /nfs/dbraw/zinc/55/56/98/890555698.db2.gz QTGCYHQNDORZBE-VIFPVBQESA-N 0 3 287.316 -1.970 20 0 CAADHN CC[C@H](N[C@@H](C)CN(C)C(=O)CS(C)(=O)=O)C(N)=O ZINC001423035508 890622245 /nfs/dbraw/zinc/62/22/45/890622245.db2.gz ZUQOECBQZBUQPB-IUCAKERBSA-N 0 3 293.389 -1.269 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1n[nH]c(C)c1C)C(N)=O ZINC001422262130 890556664 /nfs/dbraw/zinc/55/66/64/890556664.db2.gz DYHYMQAITLAIAC-ZJUUUORDSA-N 0 3 297.359 -1.029 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1n[nH]c(C)c1C)C(N)=O ZINC001422262128 890557283 /nfs/dbraw/zinc/55/72/83/890557283.db2.gz DYHYMQAITLAIAC-VHSXEESVSA-N 0 3 297.359 -1.029 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)cn1 ZINC001422262665 890557390 /nfs/dbraw/zinc/55/73/90/890557390.db2.gz DDRPPVXDKSRQIR-UWVGGRQHSA-N 0 3 281.316 -2.011 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)cn1 ZINC001422261397 890557564 /nfs/dbraw/zinc/55/75/64/890557564.db2.gz ANJJJRIZBIVBQE-GHMZBOCLSA-N 0 3 295.343 -1.621 20 0 CAADHN O=C(Cn1cccn1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001422263364 890557688 /nfs/dbraw/zinc/55/76/88/890557688.db2.gz GTWJLFBYUIQFGU-NSHDSACASA-N 0 3 295.343 -1.818 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cocn2)C1=O ZINC001422263508 890558278 /nfs/dbraw/zinc/55/82/78/890558278.db2.gz IPSLWRXVPXVQFT-NXEZZACHSA-N 0 3 296.327 -1.024 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)c1 ZINC001422264179 890558966 /nfs/dbraw/zinc/55/89/66/890558966.db2.gz INYSTWUVONNYAL-SNVBAGLBSA-N 0 3 283.332 -1.764 20 0 CAADHN CN(CCO)C[C@@H]1CCCN1C(=O)Cn1ncn(C)c1=O ZINC001422222815 890559357 /nfs/dbraw/zinc/55/93/57/890559357.db2.gz BZIIKAHGGCSGPM-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1cocn1 ZINC001422267396 890560885 /nfs/dbraw/zinc/56/08/85/890560885.db2.gz RMYNFCKFWWPSFP-IUCAKERBSA-N 0 3 282.300 -1.367 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001422270443 890561113 /nfs/dbraw/zinc/56/11/13/890561113.db2.gz XZBIGHLVRYNGEF-SECBINFHSA-N 0 3 299.335 -2.782 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1ccon1)C(=O)N(C)C ZINC001422268728 890561289 /nfs/dbraw/zinc/56/12/89/890561289.db2.gz UMQOGSFNYCBMAW-ONGXEEELSA-N 0 3 298.343 -1.240 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)[C@H]1COCCO1 ZINC001422269301 890561543 /nfs/dbraw/zinc/56/15/43/890561543.db2.gz AATOZPQEXHEMSV-VXGBXAGGSA-N 0 3 298.343 -1.598 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCC(=O)N1)NC1CC1 ZINC001422265364 890561675 /nfs/dbraw/zinc/56/16/75/890561675.db2.gz MFNUGESUUVHSPI-NXEZZACHSA-N 0 3 298.343 -2.390 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001422268468 890561897 /nfs/dbraw/zinc/56/18/97/890561897.db2.gz UDQDDCBVIHMOFJ-LLVKDONJSA-N 0 3 297.359 -1.572 20 0 CAADHN Cc1cccc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001422269835 890561933 /nfs/dbraw/zinc/56/19/33/890561933.db2.gz BBULHXBDWDSGFX-GHMZBOCLSA-N 0 3 292.339 -1.041 20 0 CAADHN COC[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001422265481 890561967 /nfs/dbraw/zinc/56/19/67/890561967.db2.gz MPDQCPLTQFXPOM-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN Cn1cncc1CNC[C@H](O)CNC(=O)[C@@H]1COCCO1 ZINC001422269296 890562241 /nfs/dbraw/zinc/56/22/41/890562241.db2.gz AATOZPQEXHEMSV-RYUDHWBXSA-N 0 3 298.343 -1.598 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cc1ccon1)C(=O)N(C)C ZINC001422268725 890562778 /nfs/dbraw/zinc/56/27/78/890562778.db2.gz UMQOGSFNYCBMAW-MWLCHTKSSA-N 0 3 298.343 -1.240 20 0 CAADHN Cc1cccc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001422271271 890562811 /nfs/dbraw/zinc/56/28/11/890562811.db2.gz BBULHXBDWDSGFX-WDEREUQCSA-N 0 3 292.339 -1.041 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1ccon1)C(=O)N(C)C ZINC001422268721 890563069 /nfs/dbraw/zinc/56/30/69/890563069.db2.gz UMQOGSFNYCBMAW-KOLCDFICSA-N 0 3 298.343 -1.240 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)NC[C@H]1CCCO1 ZINC001422272606 890563143 /nfs/dbraw/zinc/56/31/43/890563143.db2.gz ODRPCQWUAWUZPI-GHMZBOCLSA-N 0 3 273.333 -1.632 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001422278608 890564812 /nfs/dbraw/zinc/56/48/12/890564812.db2.gz LIBLZHXFEVUQSQ-VHSXEESVSA-N 0 3 286.332 -2.580 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cscn1 ZINC001422283963 890564834 /nfs/dbraw/zinc/56/48/34/890564834.db2.gz IRHYREQYUBVXLV-HTQZYQBOSA-N 0 3 286.357 -1.042 20 0 CAADHN O=C(COCC1CC1)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001422280511 890565020 /nfs/dbraw/zinc/56/50/20/890565020.db2.gz BXJPHEOWYXPIGI-NEPJUHHUSA-N 0 3 299.371 -1.242 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CCn1cccn1 ZINC001422282338 890565113 /nfs/dbraw/zinc/56/51/13/890565113.db2.gz OLGAXJKMIPZAPC-QWRGUYRKSA-N 0 3 297.359 -1.526 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CCn1cccn1 ZINC001422282334 890565333 /nfs/dbraw/zinc/56/53/33/890565333.db2.gz OLGAXJKMIPZAPC-GHMZBOCLSA-N 0 3 297.359 -1.526 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CNCc1ccns1 ZINC001422281975 890565836 /nfs/dbraw/zinc/56/58/36/890565836.db2.gz LKYKTCXUGANYJK-SECBINFHSA-N 0 3 286.357 -1.154 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCC(=O)N1CCOCC1 ZINC001422283249 890566088 /nfs/dbraw/zinc/56/60/88/890566088.db2.gz YHIZVTRZCZGLEX-JTQLQIEISA-N 0 3 289.332 -2.442 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CCn1cccn1 ZINC001422282340 890566168 /nfs/dbraw/zinc/56/61/68/890566168.db2.gz OLGAXJKMIPZAPC-WDEREUQCSA-N 0 3 297.359 -1.526 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@@](C)(O)C1CC1 ZINC001422282587 890566311 /nfs/dbraw/zinc/56/63/11/890566311.db2.gz OCPXCPOJJJASPL-ZWNOBZJWSA-N 0 3 287.360 -1.650 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cscn1 ZINC001422283967 890566323 /nfs/dbraw/zinc/56/63/23/890566323.db2.gz IRHYREQYUBVXLV-JGVFFNPUSA-N 0 3 286.357 -1.042 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccc(=O)[nH]n1 ZINC001422285906 890566480 /nfs/dbraw/zinc/56/64/80/890566480.db2.gz VWNYQRJHGMUBLW-HTQZYQBOSA-N 0 3 297.315 -2.003 20 0 CAADHN Cc1ccncc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001422281287 890566555 /nfs/dbraw/zinc/56/65/55/890566555.db2.gz YRIPJTWHZCFTAC-PWSUYJOCSA-N 0 3 292.339 -1.041 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001422278612 890566591 /nfs/dbraw/zinc/56/65/91/890566591.db2.gz LIBLZHXFEVUQSQ-ZJUUUORDSA-N 0 3 286.332 -2.580 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@@](C)(O)C1CC1 ZINC001422282583 890566737 /nfs/dbraw/zinc/56/67/37/890566737.db2.gz OCPXCPOJJJASPL-GXFFZTMASA-N 0 3 287.360 -1.650 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1ccn(C)c1)C(N)=O ZINC001422277465 890566669 /nfs/dbraw/zinc/56/66/69/890566669.db2.gz HPNMJFOMJZKCIZ-QWRGUYRKSA-N 0 3 282.344 -1.031 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)C(F)F)C1CC1 ZINC001422279829 890567012 /nfs/dbraw/zinc/56/70/12/890567012.db2.gz UIGRXWHYJHUYBM-QMMMGPOBSA-N 0 3 279.287 -1.061 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)Cn1cnnn1 ZINC001422280847 890567110 /nfs/dbraw/zinc/56/71/10/890567110.db2.gz QJCBESMPFJRCGQ-SECBINFHSA-N 0 3 299.335 -2.736 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1ccnn1C ZINC001422294406 890568085 /nfs/dbraw/zinc/56/80/85/890568085.db2.gz URWSYPMESSKKIU-JTQLQIEISA-N 0 3 297.359 -1.375 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)no1 ZINC001422288595 890568155 /nfs/dbraw/zinc/56/81/55/890568155.db2.gz ZTYKWDPIVDWUOA-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)c1cnsn1 ZINC001422296795 890568326 /nfs/dbraw/zinc/56/83/26/890568326.db2.gz WSZGTGAXWHNDIR-HTQZYQBOSA-N 0 3 299.356 -1.503 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccon1 ZINC001422289193 890568459 /nfs/dbraw/zinc/56/84/59/890568459.db2.gz LCUQQWLZVHPOGB-SECBINFHSA-N 0 3 284.316 -1.167 20 0 CAADHN CCOC1CC(C(=O)NC[C@H](O)CNCC(=O)NC)C1 ZINC001422299876 890568792 /nfs/dbraw/zinc/56/87/92/890568792.db2.gz PYWJVOSZPCZJDN-HSOILSAZSA-N 0 3 287.360 -1.386 20 0 CAADHN CCC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCNC(=O)C1 ZINC001422292558 890569407 /nfs/dbraw/zinc/56/94/07/890569407.db2.gz SCKBSFZVBMYRHA-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)N1CCCC1 ZINC001422295493 890569441 /nfs/dbraw/zinc/56/94/41/890569441.db2.gz XWJMJROASJAILJ-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001422293692 890569551 /nfs/dbraw/zinc/56/95/51/890569551.db2.gz UBRDJKQFCWRCAD-KOLCDFICSA-N 0 3 297.359 -1.836 20 0 CAADHN COc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)on1 ZINC001422299939 890569653 /nfs/dbraw/zinc/56/96/53/890569653.db2.gz QOSBCZLAFOGRPH-BQBZGAKWSA-N 0 3 286.288 -1.763 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1cnsn1 ZINC001422296814 890569872 /nfs/dbraw/zinc/56/98/72/890569872.db2.gz WSZGTGAXWHNDIR-YUMQZZPRSA-N 0 3 299.356 -1.503 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccon1 ZINC001422289195 890570067 /nfs/dbraw/zinc/57/00/67/890570067.db2.gz LCUQQWLZVHPOGB-VIFPVBQESA-N 0 3 284.316 -1.167 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1cnn(C)c1 ZINC001422293691 890570171 /nfs/dbraw/zinc/57/01/71/890570171.db2.gz UBRDJKQFCWRCAD-GXSJLCMTSA-N 0 3 297.359 -1.836 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnsn1 ZINC001422293406 890570397 /nfs/dbraw/zinc/57/03/97/890570397.db2.gz PQPPPKJTDWXIBL-LURJTMIESA-N 0 3 273.318 -2.036 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1cnsn1 ZINC001422296802 890570422 /nfs/dbraw/zinc/57/04/22/890570422.db2.gz WSZGTGAXWHNDIR-JGVFFNPUSA-N 0 3 299.356 -1.503 20 0 CAADHN CCOC1CC(C(=O)NC[C@@H](O)CNCC(=O)NC)C1 ZINC001422299880 890570453 /nfs/dbraw/zinc/57/04/53/890570453.db2.gz PYWJVOSZPCZJDN-YVNMAJEFSA-N 0 3 287.360 -1.386 20 0 CAADHN COc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)on1 ZINC001422294239 890570768 /nfs/dbraw/zinc/57/07/68/890570768.db2.gz FCRANBZLEITDIR-HTQZYQBOSA-N 0 3 298.299 -1.748 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1ccnn1C ZINC001422294409 890570895 /nfs/dbraw/zinc/57/08/95/890570895.db2.gz URWSYPMESSKKIU-SNVBAGLBSA-N 0 3 297.359 -1.375 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cn2c(n1)CCC2)C(N)=O ZINC001422310264 890571911 /nfs/dbraw/zinc/57/19/11/890571911.db2.gz IEUUYOJTJPEUIC-IUCAKERBSA-N 0 3 295.343 -1.617 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)[C@]23C[C@H]2COC3)n[nH]1 ZINC001422310599 890572182 /nfs/dbraw/zinc/57/21/82/890572182.db2.gz GSWHSBKBAIFAKK-CWSCBRNRSA-N 0 3 295.343 -1.284 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cn1ncnn1)C(=O)N(C)C ZINC001422312779 890572280 /nfs/dbraw/zinc/57/22/80/890572280.db2.gz LJGKPSGGVJPCCT-IUCAKERBSA-N 0 3 299.335 -2.784 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1c(F)cncc1F ZINC001422314338 890572696 /nfs/dbraw/zinc/57/26/96/890572696.db2.gz PVUKIDUYKWKZCT-LURJTMIESA-N 0 3 288.254 -1.475 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)C1(C(F)F)CC1 ZINC001422309528 890572733 /nfs/dbraw/zinc/57/27/33/890572733.db2.gz HPYQIZMNLURAJA-JGVFFNPUSA-N 0 3 291.298 -1.013 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C1CS(=O)(=O)C1 ZINC001422309220 890573236 /nfs/dbraw/zinc/57/32/36/890573236.db2.gz BUMCIVBXGYILJE-HTQZYQBOSA-N 0 3 291.373 -1.740 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001422316342 890573287 /nfs/dbraw/zinc/57/32/87/890573287.db2.gz QPANKVGDDOHVIN-BDAKNGLRSA-N 0 3 283.336 -1.708 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cn(C)nn1 ZINC001422314651 890573622 /nfs/dbraw/zinc/57/36/22/890573622.db2.gz UNAZFDCQRZVFRW-HTQZYQBOSA-N 0 3 284.320 -2.370 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001422302671 890573937 /nfs/dbraw/zinc/57/39/37/890573937.db2.gz VGNGQLOYRWAYKV-ONGXEEELSA-N 0 3 295.343 -1.295 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cn1ncnn1)C(=O)N(C)C ZINC001422312774 890574057 /nfs/dbraw/zinc/57/40/57/890574057.db2.gz LJGKPSGGVJPCCT-BDAKNGLRSA-N 0 3 299.335 -2.784 20 0 CAADHN CC[C@@H]1CCO[C@@H]1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001422308900 890574166 /nfs/dbraw/zinc/57/41/66/890574166.db2.gz DZHGCVLHRFOGAF-FOGDFJRCSA-N 0 3 287.360 -1.386 20 0 CAADHN CC1(C(=O)NC[C@H](O)CNCC(=O)N2CCOCC2)CC1 ZINC001422316262 890574198 /nfs/dbraw/zinc/57/41/98/890574198.db2.gz LTFCPRRVYWKAMG-LLVKDONJSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)C1(C(F)F)CC1 ZINC001422309547 890574320 /nfs/dbraw/zinc/57/43/20/890574320.db2.gz HPYQIZMNLURAJA-YUMQZZPRSA-N 0 3 291.298 -1.013 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CC1(O)CCC1)C(N)=O ZINC001422305343 890574371 /nfs/dbraw/zinc/57/43/71/890574371.db2.gz KXSPGKGAMCTMMJ-BDAKNGLRSA-N 0 3 273.333 -1.768 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)C1(C(F)F)CC1 ZINC001422309537 890574403 /nfs/dbraw/zinc/57/44/03/890574403.db2.gz HPYQIZMNLURAJA-SFYZADRCSA-N 0 3 291.298 -1.013 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CC1(O)CCC1)C(N)=O ZINC001422306310 890574481 /nfs/dbraw/zinc/57/44/81/890574481.db2.gz KXSPGKGAMCTMMJ-RKDXNWHRSA-N 0 3 273.333 -1.768 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1c(F)cncc1F ZINC001422314348 890574507 /nfs/dbraw/zinc/57/45/07/890574507.db2.gz PVUKIDUYKWKZCT-ZCFIWIBFSA-N 0 3 288.254 -1.475 20 0 CAADHN CC(C)c1cc(C(=O)NC[C@@H](O)CNCC(N)=O)nn1C ZINC001422305825 890574514 /nfs/dbraw/zinc/57/45/14/890574514.db2.gz AELNCXOKZOWYOW-VIFPVBQESA-N 0 3 297.359 -1.291 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2cnco2)C1=O ZINC001422338300 890575422 /nfs/dbraw/zinc/57/54/22/890575422.db2.gz FAUXEHNKACRISS-RKDXNWHRSA-N 0 3 282.300 -1.414 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccc(F)cn1 ZINC001422336183 890575460 /nfs/dbraw/zinc/57/54/60/890575460.db2.gz AZLGTPKQFSOIRJ-LLVKDONJSA-N 0 3 298.318 -1.424 20 0 CAADHN COc1ccc(C(=O)NC[C@H](O)CNCC(N)=O)cc1F ZINC001422330997 890575530 /nfs/dbraw/zinc/57/55/30/890575530.db2.gz PIOHYMFJMSWNCZ-SECBINFHSA-N 0 3 299.302 -1.000 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cn1cncc1C ZINC001422334525 890575863 /nfs/dbraw/zinc/57/58/63/890575863.db2.gz SLPYEDSGSPYJLD-WDEREUQCSA-N 0 3 297.359 -1.607 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccsn1)C(N)=O ZINC001422336713 890578077 /nfs/dbraw/zinc/57/80/77/890578077.db2.gz VKVZXDDPXCYWIL-RQJHMYQMSA-N 0 3 272.330 -1.303 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccsn1)C(N)=O ZINC001422336690 890576203 /nfs/dbraw/zinc/57/62/03/890576203.db2.gz VKVZXDDPXCYWIL-NKWVEPMBSA-N 0 3 272.330 -1.303 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccsn1)C(N)=O ZINC001422336680 890576573 /nfs/dbraw/zinc/57/65/73/890576573.db2.gz VKVZXDDPXCYWIL-BQBZGAKWSA-N 0 3 272.330 -1.303 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)c2cnco2)C1=O ZINC001422338286 890576816 /nfs/dbraw/zinc/57/68/16/890576816.db2.gz FAUXEHNKACRISS-IUCAKERBSA-N 0 3 282.300 -1.414 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCCNC1=O)c1cc[nH]c1 ZINC001422322529 890576929 /nfs/dbraw/zinc/57/69/29/890576929.db2.gz QZXSRXKYQQNSAM-WDEREUQCSA-N 0 3 280.328 -1.026 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ncc2ccccn21 ZINC001422339363 890577069 /nfs/dbraw/zinc/57/70/69/890577069.db2.gz YQNNKQSVWBGCRF-SNVBAGLBSA-N 0 3 291.311 -1.500 20 0 CAADHN COc1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)cc1F ZINC001422331004 890577415 /nfs/dbraw/zinc/57/74/15/890577415.db2.gz PIOHYMFJMSWNCZ-VIFPVBQESA-N 0 3 299.302 -1.000 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CC1(F)F ZINC001422319054 890577625 /nfs/dbraw/zinc/57/76/25/890577625.db2.gz YXDQITOCRBANDD-PHDIDXHHSA-N 0 3 294.258 -2.097 20 0 CAADHN O=C(NC[C@H](O)C[NH2+][C@H]1CCNC1=O)c1cnc[n-]c1=O ZINC001422324554 890577645 /nfs/dbraw/zinc/57/76/45/890577645.db2.gz IXPAOSIFXVMGSG-APPZFPTMSA-N 0 3 295.299 -2.249 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1ccc(F)cn1 ZINC001422336188 890577766 /nfs/dbraw/zinc/57/77/66/890577766.db2.gz AZLGTPKQFSOIRJ-NSHDSACASA-N 0 3 298.318 -1.424 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)Cc1cnc(C)o1 ZINC001422321511 890577821 /nfs/dbraw/zinc/57/78/21/890577821.db2.gz MRAUXIFYMNFYSI-WPRPVWTQSA-N 0 3 298.343 -1.273 20 0 CAADHN CCOc1nc(C(=O)NC[C@H](O)CNCC(N)=O)co1 ZINC001422323010 890577921 /nfs/dbraw/zinc/57/79/21/890577921.db2.gz CXKRRZKJSDEFCR-SSDOTTSWSA-N 0 3 286.288 -1.761 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001422338261 890577952 /nfs/dbraw/zinc/57/79/52/890577952.db2.gz LDIOCNIAIILXMW-XFWSIPNHSA-N 0 3 298.343 -1.706 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cn2c(n1)CCC2 ZINC001422320592 890578121 /nfs/dbraw/zinc/57/81/21/890578121.db2.gz XVEOOZSJTUWHNM-MRVPVSSYSA-N 0 3 281.316 -2.005 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CNCc2ccns2)n1 ZINC001422356643 890579382 /nfs/dbraw/zinc/57/93/82/890579382.db2.gz MRWHTCPUFOPDMH-SSDOTTSWSA-N 0 3 297.344 -1.453 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001422347326 890579568 /nfs/dbraw/zinc/57/95/68/890579568.db2.gz WXHVPRNIPLUNMM-KNZXXDILSA-N 0 3 281.356 -1.012 20 0 CAADHN CC(C)(C)n1cc(C(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001422353892 890579951 /nfs/dbraw/zinc/57/99/51/890579951.db2.gz SNEYTKKFLQEVJY-SNVBAGLBSA-N 0 3 297.359 -1.196 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cnco1 ZINC001422350361 890580001 /nfs/dbraw/zinc/58/00/01/890580001.db2.gz JBLKTPMUBJDUKO-RQJHMYQMSA-N 0 3 283.288 -1.034 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1Cc2ccccc21 ZINC001422347166 890580011 /nfs/dbraw/zinc/58/00/11/890580011.db2.gz PDBKRABYSZCZGA-ZYHUDNBSSA-N 0 3 277.324 -1.122 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1c[nH]nc1CC ZINC001422358210 890580031 /nfs/dbraw/zinc/58/00/31/890580031.db2.gz ZPAKTJPQBMBZLE-SECBINFHSA-N 0 3 297.359 -1.212 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001422359512 890580038 /nfs/dbraw/zinc/58/00/38/890580038.db2.gz XIFKAYCSJINTED-ONGXEEELSA-N 0 3 295.343 -1.323 20 0 CAADHN CCc1n[nH]cc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001422347309 890580212 /nfs/dbraw/zinc/58/02/12/890580212.db2.gz LGEKEPBEIYNMGY-MRVPVSSYSA-N 0 3 283.332 -1.602 20 0 CAADHN Cc1ncccc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001422351072 890580239 /nfs/dbraw/zinc/58/02/39/890580239.db2.gz WZQRKQBIEWXMKG-VHSXEESVSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2csnn2)n[nH]1 ZINC001422350936 890580257 /nfs/dbraw/zinc/58/02/57/890580257.db2.gz RRZNXJKHMRWEHB-SSDOTTSWSA-N 0 3 297.344 -1.155 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccn(C)c(=O)c1 ZINC001422354776 890580330 /nfs/dbraw/zinc/58/03/30/890580330.db2.gz VGDOPAHXFPUWOO-SNVBAGLBSA-N 0 3 296.327 -2.188 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@H](O)CNCc1ccnn1C ZINC001422344313 890580381 /nfs/dbraw/zinc/58/03/81/890580381.db2.gz GDOKSJLGIKMCSH-GXSJLCMTSA-N 0 3 297.359 -1.502 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCn1ccnc1 ZINC001422355393 890580405 /nfs/dbraw/zinc/58/04/05/890580405.db2.gz YFBXATMEWGRIEH-SNVBAGLBSA-N 0 3 283.332 -1.914 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1csc(=O)[nH]1 ZINC001422342762 890580758 /nfs/dbraw/zinc/58/07/58/890580758.db2.gz PGPYJDIDTKNNBR-LURJTMIESA-N 0 3 288.329 -1.725 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001422343168 890580611 /nfs/dbraw/zinc/58/06/11/890580611.db2.gz JOKFYTCWEWVGND-HTQZYQBOSA-N 0 3 295.361 -2.768 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CCn1ccnc1)C(N)=O ZINC001422353978 890580639 /nfs/dbraw/zinc/58/06/39/890580639.db2.gz WRPNIMKYGOKXFB-UWVGGRQHSA-N 0 3 283.332 -1.786 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001422356718 890580713 /nfs/dbraw/zinc/58/07/13/890580713.db2.gz NAKSJQNKSWFVAZ-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001422344343 890580741 /nfs/dbraw/zinc/58/07/41/890580741.db2.gz GDOKSJLGIKMCSH-ONGXEEELSA-N 0 3 297.359 -1.502 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CCn1ccnc1)C(N)=O ZINC001422353980 890580846 /nfs/dbraw/zinc/58/08/46/890580846.db2.gz WRPNIMKYGOKXFB-VHSXEESVSA-N 0 3 283.332 -1.786 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001422343540 890580985 /nfs/dbraw/zinc/58/09/85/890580985.db2.gz FFIHVNRFJBIXTC-JGVFFNPUSA-N 0 3 287.320 -3.177 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cnco1 ZINC001422345072 890581206 /nfs/dbraw/zinc/58/12/06/890581206.db2.gz LTCOIGMBSWVNQT-MRVPVSSYSA-N 0 3 270.289 -1.509 20 0 CAADHN Cc1ncccc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001422350615 890581257 /nfs/dbraw/zinc/58/12/57/890581257.db2.gz WZQRKQBIEWXMKG-NXEZZACHSA-N 0 3 280.328 -1.056 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001422347330 890581438 /nfs/dbraw/zinc/58/14/38/890581438.db2.gz WXHVPRNIPLUNMM-MTVMDMGHSA-N 0 3 281.356 -1.012 20 0 CAADHN CCn1ccc(C(=O)NC[C@@H](O)CNCC(N)=O)c1C ZINC001422345305 890581509 /nfs/dbraw/zinc/58/15/09/890581509.db2.gz TVLBEPWDVFVDDU-JTQLQIEISA-N 0 3 282.344 -1.018 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1Cc2ccccc21 ZINC001422347152 890581566 /nfs/dbraw/zinc/58/15/66/890581566.db2.gz PDBKRABYSZCZGA-CMPLNLGQSA-N 0 3 277.324 -1.122 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCS(C)(=O)=O ZINC001422348233 890581621 /nfs/dbraw/zinc/58/16/21/890581621.db2.gz NDIYUMIITWCSQV-MRVPVSSYSA-N 0 3 295.361 -2.766 20 0 CAADHN C[C@H](Oc1cccnc1)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001422364987 890582803 /nfs/dbraw/zinc/58/28/03/890582803.db2.gz KUXWDSNOEISMEU-UWVGGRQHSA-N 0 3 296.327 -1.599 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n(C)n1 ZINC001422381162 890582823 /nfs/dbraw/zinc/58/28/23/890582823.db2.gz MEDCQAIBMQRZFK-WPRPVWTQSA-N 0 3 297.359 -1.463 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccncn1)C(=O)N(C)C ZINC001422380803 890582977 /nfs/dbraw/zinc/58/29/77/890582977.db2.gz KSSMDOCWWVMXMS-NXEZZACHSA-N 0 3 295.343 -1.366 20 0 CAADHN Cc1ncccc1CC(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001422369677 890583030 /nfs/dbraw/zinc/58/30/30/890583030.db2.gz PNPOFPHEWGPGIK-JQWIXIFHSA-N 0 3 294.355 -1.127 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)c2ncccn2)C1=O ZINC001422379999 890583349 /nfs/dbraw/zinc/58/33/49/890583349.db2.gz KRXGDNVNKDAHLN-NXEZZACHSA-N 0 3 293.327 -1.612 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc(C(F)F)n[nH]1 ZINC001422370316 890583465 /nfs/dbraw/zinc/58/34/65/890583465.db2.gz QFTBYZRYSMJHNB-YFKPBYRVSA-N 0 3 291.258 -1.487 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccncn1)C(=O)N(C)C ZINC001422380828 890583585 /nfs/dbraw/zinc/58/35/85/890583585.db2.gz KSSMDOCWWVMXMS-VHSXEESVSA-N 0 3 295.343 -1.366 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@@H](C)n1cccn1 ZINC001422378990 890583791 /nfs/dbraw/zinc/58/37/91/890583791.db2.gz JYYNFAFDSRSBJJ-MNOVXSKESA-N 0 3 297.359 -1.353 20 0 CAADHN Cc1ncccc1CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001422369672 890583849 /nfs/dbraw/zinc/58/38/49/890583849.db2.gz PNPOFPHEWGPGIK-CMPLNLGQSA-N 0 3 294.355 -1.127 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cccnn1 ZINC001422379824 890583890 /nfs/dbraw/zinc/58/38/90/890583890.db2.gz KDCIZASWZDNCQZ-BDAKNGLRSA-N 0 3 281.316 -1.709 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@H](C)n1cccn1 ZINC001422378996 890584082 /nfs/dbraw/zinc/58/40/82/890584082.db2.gz JYYNFAFDSRSBJJ-QWRGUYRKSA-N 0 3 297.359 -1.353 20 0 CAADHN C[C@@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001422370201 890584326 /nfs/dbraw/zinc/58/43/26/890584326.db2.gz XWKHPKCHFXNEOR-SFYZADRCSA-N 0 3 295.347 -1.415 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)n1 ZINC001422370208 890584490 /nfs/dbraw/zinc/58/44/90/890584490.db2.gz KHDBGUVALAGALB-SECBINFHSA-N 0 3 296.331 -2.272 20 0 CAADHN C[C@@H](NCC(=O)NC1CC1)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001422370197 890584593 /nfs/dbraw/zinc/58/45/93/890584593.db2.gz XWKHPKCHFXNEOR-HTQZYQBOSA-N 0 3 295.347 -1.415 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1ccnnc1)NC1CC1 ZINC001422360172 890584620 /nfs/dbraw/zinc/58/46/20/890584620.db2.gz CZVBYLZUKAQDAG-NSHDSACASA-N 0 3 293.327 -1.565 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n(C)n1 ZINC001422381141 890584633 /nfs/dbraw/zinc/58/46/33/890584633.db2.gz MEDCQAIBMQRZFK-PSASIEDQSA-N 0 3 297.359 -1.463 20 0 CAADHN C[C@@H](NC(=O)c1nnn(C)n1)[C@H](C)NCC(=O)NC1CC1 ZINC001422370199 890584837 /nfs/dbraw/zinc/58/48/37/890584837.db2.gz XWKHPKCHFXNEOR-JGVFFNPUSA-N 0 3 295.347 -1.415 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001422373232 890584981 /nfs/dbraw/zinc/58/49/81/890584981.db2.gz BIPBMXPPHYCYHS-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN Cn1ncnc1CNC[C@@H](O)CNC(=O)c1ncn[nH]1 ZINC001422374797 890585051 /nfs/dbraw/zinc/58/50/51/890585051.db2.gz QMHWSOKTUVPACN-SSDOTTSWSA-N 0 3 280.292 -2.186 20 0 CAADHN Cn1ncnc1CNC[C@@H](O)CNC(=O)c1nc[nH]n1 ZINC001422374797 890585067 /nfs/dbraw/zinc/58/50/67/890585067.db2.gz QMHWSOKTUVPACN-SSDOTTSWSA-N 0 3 280.292 -2.186 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@H](C)n1cccn1 ZINC001422379000 890585177 /nfs/dbraw/zinc/58/51/77/890585177.db2.gz JYYNFAFDSRSBJJ-WDEREUQCSA-N 0 3 297.359 -1.353 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cccnn1 ZINC001422379832 890585303 /nfs/dbraw/zinc/58/53/03/890585303.db2.gz KDCIZASWZDNCQZ-DTWKUNHWSA-N 0 3 281.316 -1.709 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)nn1C ZINC001422400892 890586451 /nfs/dbraw/zinc/58/64/51/890586451.db2.gz FMPLPVKGGKKVKU-VIFPVBQESA-N 0 3 283.332 -1.852 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1nccs1 ZINC001422391637 890586659 /nfs/dbraw/zinc/58/66/59/890586659.db2.gz ZMKMDWQQLKPENO-JGVFFNPUSA-N 0 3 286.357 -1.042 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CNCc1cncn1C ZINC001422400251 890586929 /nfs/dbraw/zinc/58/69/29/890586929.db2.gz DJDZDBFKXROTDZ-SNVBAGLBSA-N 0 3 294.315 -1.008 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@H](O)CN[C@H](C)C(=O)NC ZINC001422394708 890586961 /nfs/dbraw/zinc/58/69/61/890586961.db2.gz CHBILXBQVCGFPT-RKDXNWHRSA-N 0 3 297.359 -1.213 20 0 CAADHN C[C@@]1(C(=O)NC[C@H](O)CNCC(N)=O)CCCOC1 ZINC001422384602 890587068 /nfs/dbraw/zinc/58/70/68/890587068.db2.gz BGUVVTRHWBZGNS-BXKDBHETSA-N 0 3 273.333 -1.645 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cnon1 ZINC001422384694 890587301 /nfs/dbraw/zinc/58/73/01/890587301.db2.gz VIKGSUFLGRJMRH-NKWVEPMBSA-N 0 3 298.303 -1.378 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1nccs1 ZINC001422391645 890587279 /nfs/dbraw/zinc/58/72/79/890587279.db2.gz ZMKMDWQQLKPENO-YUMQZZPRSA-N 0 3 286.357 -1.042 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1nccs1 ZINC001422391635 890587672 /nfs/dbraw/zinc/58/76/72/890587672.db2.gz ZMKMDWQQLKPENO-HTQZYQBOSA-N 0 3 286.357 -1.042 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC ZINC001422394706 890587735 /nfs/dbraw/zinc/58/77/35/890587735.db2.gz CHBILXBQVCGFPT-IUCAKERBSA-N 0 3 297.359 -1.213 20 0 CAADHN Cn1ccc(CNC[C@H](O)CNC(=O)Cc2nnc[nH]2)n1 ZINC001422399229 890587821 /nfs/dbraw/zinc/58/78/21/890587821.db2.gz MSKQWRLCTZHJSS-JTQLQIEISA-N 0 3 293.331 -1.652 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCn1cccc1 ZINC001422399918 890588071 /nfs/dbraw/zinc/58/80/71/890588071.db2.gz WYXFYBYMSMLDPZ-NSHDSACASA-N 0 3 282.344 -1.309 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1c[nH]nc1C1CC1)C(N)=O ZINC001422390003 890588149 /nfs/dbraw/zinc/58/81/49/890588149.db2.gz WZGXKSWYMJJLML-APPZFPTMSA-N 0 3 295.343 -1.159 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cnon1 ZINC001422384693 890588360 /nfs/dbraw/zinc/58/83/60/890588360.db2.gz VIKGSUFLGRJMRH-BQBZGAKWSA-N 0 3 298.303 -1.378 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cccnn1 ZINC001422391534 890588433 /nfs/dbraw/zinc/58/84/33/890588433.db2.gz YZFHMGVMILKDMB-VIFPVBQESA-N 0 3 281.316 -1.755 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](O)CNCC(N)=O)CCCOC1 ZINC001422384606 890588821 /nfs/dbraw/zinc/58/88/21/890588821.db2.gz BGUVVTRHWBZGNS-JOYOIKCWSA-N 0 3 273.333 -1.645 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc(C2CC2)no1 ZINC001422381404 890588593 /nfs/dbraw/zinc/58/85/93/890588593.db2.gz ZOHAIMZSQJJSPR-SECBINFHSA-N 0 3 296.327 -1.022 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1c[nH]nc1C1CC1)C(N)=O ZINC001422390010 890588675 /nfs/dbraw/zinc/58/86/75/890588675.db2.gz WZGXKSWYMJJLML-IONNQARKSA-N 0 3 295.343 -1.159 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC ZINC001422394703 890588692 /nfs/dbraw/zinc/58/86/92/890588692.db2.gz CHBILXBQVCGFPT-DTWKUNHWSA-N 0 3 297.359 -1.213 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cnon1 ZINC001422384698 890588731 /nfs/dbraw/zinc/58/87/31/890588731.db2.gz VIKGSUFLGRJMRH-RQJHMYQMSA-N 0 3 298.303 -1.378 20 0 CAADHN Cc1cnoc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001422387412 890588812 /nfs/dbraw/zinc/58/88/12/890588812.db2.gz URUYNRGHBIYSRL-RKDXNWHRSA-N 0 3 282.300 -1.448 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001422382568 890588872 /nfs/dbraw/zinc/58/88/72/890588872.db2.gz BGFSWODDWIVANI-HTQZYQBOSA-N 0 3 272.349 -1.131 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc2n(c1)CCCC2 ZINC001422400166 890588989 /nfs/dbraw/zinc/58/89/89/890588989.db2.gz DAIFKNXBXDRJLR-LBPRGKRZSA-N 0 3 294.355 -1.010 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CNCC(=O)NC)no1 ZINC001422412720 890590326 /nfs/dbraw/zinc/59/03/26/890590326.db2.gz VDLVNOFZEMFPRA-QMMMGPOBSA-N 0 3 284.316 -1.337 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001422409792 890590404 /nfs/dbraw/zinc/59/04/04/890590404.db2.gz RSHCWPQRNQAHRY-MNOVXSKESA-N 0 3 295.343 -1.735 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)CNC(C)=O ZINC001422440518 890590617 /nfs/dbraw/zinc/59/06/17/890590617.db2.gz SPHWTEYLZCZGKL-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001422438290 890591042 /nfs/dbraw/zinc/59/10/42/890591042.db2.gz FVSHYHNCIVBJEV-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN Cc1nccc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)n1 ZINC001422412507 890591246 /nfs/dbraw/zinc/59/12/46/890591246.db2.gz OSIYKFDVDDYEEC-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)CNC(C)=O ZINC001422438190 890591306 /nfs/dbraw/zinc/59/13/06/890591306.db2.gz PNDQDLWFWRSOEO-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](O)CNCC(=O)NC(C)C ZINC001422407169 890591613 /nfs/dbraw/zinc/59/16/13/890591613.db2.gz QOVPTQPZGVCZJB-VIFPVBQESA-N 0 3 299.331 -1.417 20 0 CAADHN CCCNC(=O)CNC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001422452270 890591651 /nfs/dbraw/zinc/59/16/51/890591651.db2.gz GBSNGSWSDFOUMJ-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1nonc1C ZINC001422408217 890591779 /nfs/dbraw/zinc/59/17/79/890591779.db2.gz TTZISGQSZRYSSM-VIFPVBQESA-N 0 3 299.331 -1.415 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)CNC(=O)C1CC1 ZINC001422429644 890591863 /nfs/dbraw/zinc/59/18/63/890591863.db2.gz TZEWKFJQMWLNOE-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CNC(=O)NC ZINC001422445838 890591971 /nfs/dbraw/zinc/59/19/71/890591971.db2.gz GZQJBQGZIBIVNH-SNVBAGLBSA-N 0 3 299.375 -1.416 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)Cn1cnnn1 ZINC001422456850 890592256 /nfs/dbraw/zinc/59/22/56/890592256.db2.gz UJZOJJNXUFRTIT-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN Cc1nc([C@H](C)NC[C@@H](C)NC(=O)Cn2cnnn2)n[nH]1 ZINC001422455623 890592438 /nfs/dbraw/zinc/59/24/38/890592438.db2.gz OMGNHNMFAFPEQA-SFYZADRCSA-N 0 3 293.335 -1.045 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)CN1CCCC1=O ZINC001422451604 890592552 /nfs/dbraw/zinc/59/25/52/890592552.db2.gz ASAAOHFUXSMKBJ-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)c1ccnc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001422404972 890592596 /nfs/dbraw/zinc/59/25/96/890592596.db2.gz MAQQFALPRMIXET-SNVBAGLBSA-N 0 3 295.343 -1.687 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)NC(C)=O ZINC001422452853 890593019 /nfs/dbraw/zinc/59/30/19/890593019.db2.gz HROOHBMYSCMICC-BDAKNGLRSA-N 0 3 272.349 -1.259 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001422438761 890593240 /nfs/dbraw/zinc/59/32/40/890593240.db2.gz FVSHYHNCIVBJEV-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1[nH]cnc1C)C(N)=O ZINC001422405003 890593300 /nfs/dbraw/zinc/59/33/00/890593300.db2.gz MDRAKAHWJQRHSW-RKDXNWHRSA-N 0 3 283.332 -1.338 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCCOC1 ZINC001422468533 890594829 /nfs/dbraw/zinc/59/48/29/890594829.db2.gz IKTAETSVJMFOIB-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cn2c(n1)COCC2 ZINC001422515984 890595144 /nfs/dbraw/zinc/59/51/44/890595144.db2.gz OEHRUMQISCUAIP-RKDXNWHRSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)c1cnnn1C ZINC001422503286 890595384 /nfs/dbraw/zinc/59/53/84/890595384.db2.gz YVSSYKZGKBSJPB-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001422489745 890595949 /nfs/dbraw/zinc/59/59/49/890595949.db2.gz JUNYQTFCSPSUDV-HTQZYQBOSA-N 0 3 299.331 -2.246 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001422492648 890596262 /nfs/dbraw/zinc/59/62/62/890596262.db2.gz XIKLGFJWRRWUMC-HTQZYQBOSA-N 0 3 271.321 -2.102 20 0 CAADHN COC(=O)NCC(=O)N[C@H](C)CNCC(=O)NC1CC1 ZINC001422480897 890596712 /nfs/dbraw/zinc/59/67/12/890596712.db2.gz ZGHLQNRFPNWBRW-MRVPVSSYSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1cnnn1C ZINC001422503284 890596875 /nfs/dbraw/zinc/59/68/75/890596875.db2.gz YVSSYKZGKBSJPB-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)Cn1ncnn1 ZINC001422492329 890597304 /nfs/dbraw/zinc/59/73/04/890597304.db2.gz PPGYFPCHQXWQDO-BDAKNGLRSA-N 0 3 295.347 -1.566 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@H]1CCCC(=O)N1 ZINC001422514134 890597488 /nfs/dbraw/zinc/59/74/88/890597488.db2.gz IQGUPXJKKRLDQG-KXUCPTDWSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)CNC(=O)C1CC1 ZINC001422475450 890597765 /nfs/dbraw/zinc/59/77/65/890597765.db2.gz LVEGPEHJPRMARM-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N(C)C[C@@H](O)COC ZINC001422521632 890597829 /nfs/dbraw/zinc/59/78/29/890597829.db2.gz SWZHYAFQNBGNCU-VHSXEESVSA-N 0 3 290.364 -1.641 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001422598460 890598680 /nfs/dbraw/zinc/59/86/80/890598680.db2.gz HHPJYJHIKCVZAU-BDAKNGLRSA-N 0 3 295.343 -1.377 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CCC(=O)N1 ZINC001422564533 890598827 /nfs/dbraw/zinc/59/88/27/890598827.db2.gz IOESMXXXLFDCOK-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](CNC(=O)CCCS(N)(=O)=O)N(C)CCO ZINC001422549952 890599412 /nfs/dbraw/zinc/59/94/12/890599412.db2.gz IBQLEIUWXQQGGP-SECBINFHSA-N 0 3 281.378 -1.516 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cn(C)nn1 ZINC001422572535 890599850 /nfs/dbraw/zinc/59/98/50/890599850.db2.gz SPBYIQHZOZRNHM-SSDOTTSWSA-N 0 3 294.319 -1.855 20 0 CAADHN CNC(=O)NC(=O)CN(C)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001422562718 890600180 /nfs/dbraw/zinc/60/01/80/890600180.db2.gz FJVGVMKUQICCEV-SSDOTTSWSA-N 0 3 297.319 -1.690 20 0 CAADHN Cc1n[nH]c(=O)c(C(=O)N[C@H](C)CNCC(N)=O)c1C ZINC001422541475 890600296 /nfs/dbraw/zinc/60/02/96/890600296.db2.gz VWUHKOYIYNQELN-ZCFIWIBFSA-N 0 3 281.316 -1.008 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccc(OC)nn1 ZINC001422582178 890600384 /nfs/dbraw/zinc/60/03/84/890600384.db2.gz TZGPOJCCSUKREP-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001422587402 890600579 /nfs/dbraw/zinc/60/05/79/890600579.db2.gz BYVNPLNZEIYKJR-VGMNWLOBSA-N 0 3 270.333 -1.506 20 0 CAADHN CCN1CCO[C@H](C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001422597399 890600835 /nfs/dbraw/zinc/60/08/35/890600835.db2.gz IYMVUPDSLGEMOQ-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1cnn(C)n1 ZINC001422584975 890600862 /nfs/dbraw/zinc/60/08/62/890600862.db2.gz WNLLWLHSZALEIO-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001422564521 890600899 /nfs/dbraw/zinc/60/08/99/890600899.db2.gz IOESMXXXLFDCOK-BDAKNGLRSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001422568874 890601071 /nfs/dbraw/zinc/60/10/71/890601071.db2.gz PISOVNMKWUSWNP-SSDOTTSWSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H](C)CC(N)=O ZINC001422542491 890601148 /nfs/dbraw/zinc/60/11/48/890601148.db2.gz YXONMCMCRSIIEE-JGVFFNPUSA-N 0 3 298.347 -1.786 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001422539109 890601333 /nfs/dbraw/zinc/60/13/33/890601333.db2.gz ORMUCBJLHQFNLC-HTQZYQBOSA-N 0 3 271.321 -2.150 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001422587399 890601355 /nfs/dbraw/zinc/60/13/55/890601355.db2.gz BYVNPLNZEIYKJR-HLTSFMKQSA-N 0 3 270.333 -1.506 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001422591929 890601506 /nfs/dbraw/zinc/60/15/06/890601506.db2.gz RQQZRSZKWRFJDM-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)CN1CCCC1=O ZINC001422625989 890602832 /nfs/dbraw/zinc/60/28/32/890602832.db2.gz WBLKCQGDOSITNL-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H](C)CN1CCOCC1 ZINC001422602259 890604102 /nfs/dbraw/zinc/60/41/02/890604102.db2.gz KMAZLQDQOQGXSA-GHMZBOCLSA-N 0 3 286.376 -1.466 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)CNCC(=O)NC ZINC001422656605 890605719 /nfs/dbraw/zinc/60/57/19/890605719.db2.gz RJTSPGXVCFKMEV-IUCAKERBSA-N 0 3 272.349 -1.259 20 0 CAADHN CCN1C[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)CC1=O ZINC001422648943 890605800 /nfs/dbraw/zinc/60/58/00/890605800.db2.gz HFCGWIWKNWHQHW-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001422657041 890605816 /nfs/dbraw/zinc/60/58/16/890605816.db2.gz YBNWFWDEZHSWKT-DTWKUNHWSA-N 0 3 288.348 -1.941 20 0 CAADHN CC[C@@H](OC)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001422638033 890605838 /nfs/dbraw/zinc/60/58/38/890605838.db2.gz VMOLVFRKYLJGLF-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)CS(C)(=O)=O ZINC001422628345 890605923 /nfs/dbraw/zinc/60/59/23/890605923.db2.gz AHMGLAJJCZCLPR-QMMMGPOBSA-N 0 3 279.362 -1.739 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCCCS1(=O)=O ZINC001422659934 890605973 /nfs/dbraw/zinc/60/59/73/890605973.db2.gz JOTVNSJNGXBYRN-DTWKUNHWSA-N 0 3 291.373 -1.467 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCc1nnc[n-]1 ZINC001422637248 890606800 /nfs/dbraw/zinc/60/68/00/890606800.db2.gz RRBKSNWLBJZBLW-DTWKUNHWSA-N 0 3 282.348 -1.034 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001422649840 890606847 /nfs/dbraw/zinc/60/68/47/890606847.db2.gz GFPPEPJQFKIDFO-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)COC(C)C ZINC001422637048 890607201 /nfs/dbraw/zinc/60/72/01/890607201.db2.gz OHIFBNOVJRRREU-VIFPVBQESA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cncnc1)C(=O)NC(N)=O ZINC001422638261 890607299 /nfs/dbraw/zinc/60/72/99/890607299.db2.gz AROYWPNYCNOOGH-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H](C)OC ZINC001422630089 890607851 /nfs/dbraw/zinc/60/78/51/890607851.db2.gz KBRMTLLETCMNJA-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1ccon1 ZINC001422631865 890607880 /nfs/dbraw/zinc/60/78/80/890607880.db2.gz OAXYRQIHVKSZDY-ZETCQYMHSA-N 0 3 283.288 -1.162 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1n[nH]cc1C ZINC001422642429 890607964 /nfs/dbraw/zinc/60/79/64/890607964.db2.gz GCJDTHNIXYBQDM-QMMMGPOBSA-N 0 3 296.331 -1.118 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCNC(=O)C1 ZINC001422630287 890608045 /nfs/dbraw/zinc/60/80/45/890608045.db2.gz BIQUJAWSXBALGA-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)C[C@@H]1CCNC1=O ZINC001422661033 890608910 /nfs/dbraw/zinc/60/89/10/890608910.db2.gz OKWSVLKMHNMOMO-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001422666510 890609098 /nfs/dbraw/zinc/60/90/98/890609098.db2.gz IYEQOERESZQGFV-IUCAKERBSA-N 0 3 298.347 -2.060 20 0 CAADHN COC[C@@H](O)CN1CC([C@H](C)NC(=O)c2ncn(C)n2)C1 ZINC001422719288 890609378 /nfs/dbraw/zinc/60/93/78/890609378.db2.gz BRDZNBLSODWFMP-ONGXEEELSA-N 0 3 297.359 -1.128 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCn1cnccc1=O)C(N)=O ZINC001422725004 890609801 /nfs/dbraw/zinc/60/98/01/890609801.db2.gz UVTKYUKOJKJLFG-VHSXEESVSA-N 0 3 295.343 -1.399 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1ccc(OC)nn1 ZINC001422732736 890609940 /nfs/dbraw/zinc/60/99/40/890609940.db2.gz TZGPOJCCSUKREP-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001422670651 890609956 /nfs/dbraw/zinc/60/99/56/890609956.db2.gz AJIJNTZFMZKPOG-QMMMGPOBSA-N 0 3 279.362 -1.739 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001422660505 890610178 /nfs/dbraw/zinc/61/01/78/890610178.db2.gz MHIWGGZHKLJSKA-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cnc2n1CCOC2 ZINC001422670700 890610202 /nfs/dbraw/zinc/61/02/02/890610202.db2.gz GEKPARLBLZWDGB-QMMMGPOBSA-N 0 3 281.316 -1.394 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CN1CCCNC1=O ZINC001422677373 890610210 /nfs/dbraw/zinc/61/02/10/890610210.db2.gz OJQMCVVNIVVVKH-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN COC[C@H](O)CN1CC([C@H](C)NC(=O)c2ncn(C)n2)C1 ZINC001422719274 890610245 /nfs/dbraw/zinc/61/02/45/890610245.db2.gz BRDZNBLSODWFMP-GXSJLCMTSA-N 0 3 297.359 -1.128 20 0 CAADHN CCC(=O)N1CC[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)C1 ZINC001422733292 890610406 /nfs/dbraw/zinc/61/04/06/890610406.db2.gz ZEALAZKHIWLLEL-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN Cc1ccn(CC(=O)N[C@@H](C)CNCC(N)=O)c(=O)c1 ZINC001422710058 890610668 /nfs/dbraw/zinc/61/06/68/890610668.db2.gz FMEOLORHTMVSRQ-JTQLQIEISA-N 0 3 280.328 -1.264 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CN1CCCCC1=O ZINC001422674337 890610793 /nfs/dbraw/zinc/61/07/93/890610793.db2.gz HDYQMSRMRZQYIL-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN COC[C@H](O)CN1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001422736722 890611008 /nfs/dbraw/zinc/61/10/08/890611008.db2.gz XTIMYSQMJMRZHZ-GXSJLCMTSA-N 0 3 298.347 -1.883 20 0 CAADHN C[C@@H](CN[C@@H]1CCCN(C)C1=O)NC(=O)CCNC(N)=O ZINC001422741440 890612409 /nfs/dbraw/zinc/61/24/09/890612409.db2.gz FRJOUBPXDAURCL-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)CNC(C)=O ZINC001422781107 890612737 /nfs/dbraw/zinc/61/27/37/890612737.db2.gz QDEJQZBIRUAPDF-MWLCHTKSSA-N 0 3 275.349 -1.434 20 0 CAADHN C[C@@H](O)CN1CC([C@H](C)NC(=O)CCNC(N)=O)C1 ZINC001422747719 890613789 /nfs/dbraw/zinc/61/37/89/890613789.db2.gz AMNZJLAGOYWAMM-BDAKNGLRSA-N 0 3 272.349 -1.138 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)Cn1cncn1 ZINC001422748822 890614343 /nfs/dbraw/zinc/61/43/43/890614343.db2.gz YUEJJFDODZNZBQ-QMMMGPOBSA-N 0 3 294.319 -2.006 20 0 CAADHN CCN1CC[C@@H](NC[C@H](C)NC(=O)CCNC(N)=O)C1=O ZINC001422746551 890614671 /nfs/dbraw/zinc/61/46/71/890614671.db2.gz SLBKNMPRNYPRPL-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001422869732 890616011 /nfs/dbraw/zinc/61/60/11/890616011.db2.gz GPLBWOFJAKNGFD-SDDRHHMPSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2nnc[n-]2)C1 ZINC001422890237 890617137 /nfs/dbraw/zinc/61/71/37/890617137.db2.gz NFIHXCHRQVOQKW-MGCOHNPYSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001422857728 890617764 /nfs/dbraw/zinc/61/77/64/890617764.db2.gz ORZBOJKQNOVNHY-WDEREUQCSA-N 0 3 299.371 -1.018 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)CC2(O)CCC2)CCO1 ZINC001422857713 890617907 /nfs/dbraw/zinc/61/79/07/890617907.db2.gz ORZBOJKQNOVNHY-GHMZBOCLSA-N 0 3 299.371 -1.018 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1CC1 ZINC001422973027 890619723 /nfs/dbraw/zinc/61/97/23/890619723.db2.gz LQCFBOLDPPJKOC-LDYMZIIASA-N 0 3 284.360 -1.259 20 0 CAADHN CN(C(=O)[C@@H]1COCCO1)[C@H](CNCC(N)=O)C1CC1 ZINC001422969761 890619875 /nfs/dbraw/zinc/61/98/75/890619875.db2.gz PNDBMAJKCGOCIF-MNOVXSKESA-N 0 3 285.344 -1.286 20 0 CAADHN CN(C(=O)[C@H]1COCCO1)[C@H](CNCC(N)=O)C1CC1 ZINC001422969755 890620738 /nfs/dbraw/zinc/62/07/38/890620738.db2.gz PNDBMAJKCGOCIF-GHMZBOCLSA-N 0 3 285.344 -1.286 20 0 CAADHN CN1CC[C@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)CC1=O ZINC001423008119 890622064 /nfs/dbraw/zinc/62/20/64/890622064.db2.gz RXLZAUHBRYAYMV-WDEREUQCSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cn(C)cn1)NCC(=O)NC(N)=O ZINC001423043344 890622343 /nfs/dbraw/zinc/62/23/43/890622343.db2.gz SXSCBFVQAKVPIS-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CCn1ccnn1 ZINC001423058678 890622371 /nfs/dbraw/zinc/62/23/71/890622371.db2.gz GDFBXPGQAFCNTI-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CNC(=O)OC ZINC001423037115 890622407 /nfs/dbraw/zinc/62/24/07/890622407.db2.gz DFTFFKGITYDKAL-QMMMGPOBSA-N 0 3 274.321 -1.475 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001423034505 890622967 /nfs/dbraw/zinc/62/29/67/890622967.db2.gz XIQZSLWEAQZVIG-IUCAKERBSA-N 0 3 283.332 -2.102 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001423027970 890622753 /nfs/dbraw/zinc/62/27/53/890622753.db2.gz JRASUWSGKWBVGF-SNVBAGLBSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1CCC(=O)N1C)C1CC1 ZINC001423019368 890622813 /nfs/dbraw/zinc/62/28/13/890622813.db2.gz DQTHGSSCNXSVQZ-WDEREUQCSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)Cn1ncnn1)C(=O)N(C)C ZINC001423046428 890622839 /nfs/dbraw/zinc/62/28/39/890622839.db2.gz DZELUWHZMUYXPD-VHSXEESVSA-N 0 3 297.363 -1.414 20 0 CAADHN CN(C(=O)c1ncn(C)n1)[C@@H](CNCC(N)=O)C1CC1 ZINC001422983323 890622937 /nfs/dbraw/zinc/62/29/37/890622937.db2.gz OYOWMILHLDPIJC-VIFPVBQESA-N 0 3 280.332 -1.259 20 0 CAADHN COCC(=O)N[C@@H](CNCC(=O)N1CCOCC1)C1CC1 ZINC001422977950 890623335 /nfs/dbraw/zinc/62/33/35/890623335.db2.gz WAVACZWOVADVDT-LBPRGKRZSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H](NC[C@H](NC(=O)Cn1cncn1)C1CC1)C(N)=O ZINC001423057389 890623393 /nfs/dbraw/zinc/62/33/93/890623393.db2.gz DJSNAPNFRBRNNS-WPRPVWTQSA-N 0 3 280.332 -1.364 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cnnn1)NCC(=O)N(C)C ZINC001423033223 890623694 /nfs/dbraw/zinc/62/36/94/890623694.db2.gz WWGHHNAFEZBMLD-VIFPVBQESA-N 0 3 283.336 -1.802 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001423056221 890623713 /nfs/dbraw/zinc/62/37/13/890623713.db2.gz VAWVDUHNWBBERQ-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)c1nnn(C)c1C)C1CC1 ZINC001422989793 890623759 /nfs/dbraw/zinc/62/37/59/890623759.db2.gz PTKINARELKTZBZ-SNVBAGLBSA-N 0 3 294.359 -1.032 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncnn1)N[C@@H](C)C(=O)N(C)C ZINC001423046420 890623849 /nfs/dbraw/zinc/62/38/49/890623849.db2.gz DZELUWHZMUYXPD-UWVGGRQHSA-N 0 3 297.363 -1.414 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)cn1)NCC(=O)NC(N)=O ZINC001423043341 890623971 /nfs/dbraw/zinc/62/39/71/890623971.db2.gz SXSCBFVQAKVPIS-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001423027387 890624053 /nfs/dbraw/zinc/62/40/53/890624053.db2.gz NVLDGIPWWOFOFQ-VHSXEESVSA-N 0 3 297.359 -1.760 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001422998432 890624067 /nfs/dbraw/zinc/62/40/67/890624067.db2.gz JTPIIJOYNKNICY-QMMMGPOBSA-N 0 3 271.321 -2.115 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)Cn1cncn1)C1CC1)C(N)=O ZINC001423057384 890624205 /nfs/dbraw/zinc/62/42/05/890624205.db2.gz DJSNAPNFRBRNNS-PSASIEDQSA-N 0 3 280.332 -1.364 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001422983168 890624384 /nfs/dbraw/zinc/62/43/84/890624384.db2.gz DTEXJRAJJAKMGY-PSASIEDQSA-N 0 3 299.375 -1.384 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)NCC(N)=O ZINC001423079522 890625763 /nfs/dbraw/zinc/62/57/63/890625763.db2.gz QXQQOTTZEBWMOA-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CN(C)C(=O)CCS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001423080346 890625381 /nfs/dbraw/zinc/62/53/81/890625381.db2.gz QTNPXTKLEFXFDB-BDAKNGLRSA-N 0 3 293.389 -1.269 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCOCC1=O)NCC(N)=O ZINC001423071724 890626001 /nfs/dbraw/zinc/62/60/01/890626001.db2.gz AIIMGELMXLTBNE-SECBINFHSA-N 0 3 286.332 -2.233 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)NCC(N)=O ZINC001423079527 890626031 /nfs/dbraw/zinc/62/60/31/890626031.db2.gz QXQQOTTZEBWMOA-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@H](CN(C)C(=O)CCS(C)(=O)=O)N[C@H](C)C(N)=O ZINC001423080355 890626610 /nfs/dbraw/zinc/62/66/10/890626610.db2.gz QTNPXTKLEFXFDB-RKDXNWHRSA-N 0 3 293.389 -1.269 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)c1cn[nH]n1 ZINC001423099255 890626828 /nfs/dbraw/zinc/62/68/28/890626828.db2.gz QSNHETCELJUHFI-ZETCQYMHSA-N 0 3 297.319 -1.690 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnnn1C)NCC(=O)NC(N)=O ZINC001423068285 890626877 /nfs/dbraw/zinc/62/68/77/890626877.db2.gz UHOXXCYDDOJLRH-SSDOTTSWSA-N 0 3 297.319 -1.940 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)CCN1CCCC1=O)C1CC1 ZINC001423063933 890626907 /nfs/dbraw/zinc/62/69/07/890626907.db2.gz RTZLRVHJPDRWPS-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001423112638 890628534 /nfs/dbraw/zinc/62/85/34/890628534.db2.gz VASAJFLXYIXUKV-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN CNS(=O)(=O)CCN[C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC001423143813 890628812 /nfs/dbraw/zinc/62/88/12/890628812.db2.gz QIMULQAORMPAHX-BDAKNGLRSA-N 0 3 284.403 -1.052 20 0 CAADHN CNS(=O)(=O)CCN[C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC001423143815 890629882 /nfs/dbraw/zinc/62/98/82/890629882.db2.gz QIMULQAORMPAHX-IUCAKERBSA-N 0 3 284.403 -1.052 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCCCN1C(N)=O)NCC(N)=O ZINC001423145863 890630076 /nfs/dbraw/zinc/63/00/76/890630076.db2.gz JNRHJQUOZXWWAX-NXEZZACHSA-N 0 3 299.375 -1.159 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cncn1)NCC(=O)N1CCC1 ZINC001423161768 890630258 /nfs/dbraw/zinc/63/02/58/890630258.db2.gz AKAFWLQNBUMSLC-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001423112637 890630502 /nfs/dbraw/zinc/63/05/02/890630502.db2.gz VASAJFLXYIXUKV-IUCAKERBSA-N 0 3 285.348 -1.760 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001423139072 890630563 /nfs/dbraw/zinc/63/05/63/890630563.db2.gz GHTXZCRJSNSJQQ-WCBMZHEXSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)nc1)NCC(N)=O ZINC001423180954 890632262 /nfs/dbraw/zinc/63/22/62/890632262.db2.gz DECGDOJKCQNFEX-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1cnccn1 ZINC001423177730 890632896 /nfs/dbraw/zinc/63/28/96/890632896.db2.gz OJTHOOYFBZGKKO-JTQLQIEISA-N 0 3 291.315 -1.551 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccn(C)n1)NCC(=O)NC(N)=O ZINC001423170635 890633326 /nfs/dbraw/zinc/63/33/26/890633326.db2.gz SIGRWZRMLKXGRL-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN COCC(=O)NC[C@H](CO)NC[C@H]1CCS(=O)(=O)C1 ZINC001423187863 890635628 /nfs/dbraw/zinc/63/56/28/890635628.db2.gz VHEKSJCJNSPZJL-NXEZZACHSA-N 0 3 294.373 -1.866 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ccnc1)NCC(=O)NC(N)=O ZINC001423190603 890635728 /nfs/dbraw/zinc/63/57/28/890635728.db2.gz WORNROSTVIAQMY-SECBINFHSA-N 0 3 296.331 -1.486 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cncn1)NCC(=O)NC(N)=O ZINC001423181454 890636312 /nfs/dbraw/zinc/63/63/12/890636312.db2.gz ZHTPJDAFJNTJKG-MRVPVSSYSA-N 0 3 297.319 -2.091 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](CO)NCCN1CCNC1=O ZINC001423216051 890645967 /nfs/dbraw/zinc/64/59/67/890645967.db2.gz XJINAIHPOUPPLI-ZJUUUORDSA-N 0 3 288.348 -1.887 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001423216040 890646105 /nfs/dbraw/zinc/64/61/05/890646105.db2.gz XJINAIHPOUPPLI-NXEZZACHSA-N 0 3 288.348 -1.887 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001423216048 890646251 /nfs/dbraw/zinc/64/62/51/890646251.db2.gz XJINAIHPOUPPLI-VHSXEESVSA-N 0 3 288.348 -1.887 20 0 CAADHN O=C(CCc1c[nH]cn1)NC[C@H](CO)N[C@H]1CCNC1=O ZINC001423246580 890651012 /nfs/dbraw/zinc/65/10/12/890651012.db2.gz XWVTYBNQWCJGII-MNOVXSKESA-N 0 3 295.343 -1.703 20 0 CAADHN O=C(CCc1cnc[nH]1)NC[C@H](CO)N[C@H]1CCNC1=O ZINC001423246580 890651021 /nfs/dbraw/zinc/65/10/21/890651021.db2.gz XWVTYBNQWCJGII-MNOVXSKESA-N 0 3 295.343 -1.703 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001423245562 890652642 /nfs/dbraw/zinc/65/26/42/890652642.db2.gz WYZTZVIXVUOOBX-VIFPVBQESA-N 0 3 299.335 -2.726 20 0 CAADHN O=C(NC[C@H](CO)NCCC(F)(F)F)[C@@H]1CNC(=O)N1 ZINC001423256401 890653518 /nfs/dbraw/zinc/65/35/18/890653518.db2.gz KLMBWIFLKCDENF-RQJHMYQMSA-N 0 3 298.265 -1.313 20 0 CAADHN O=C(NC[C@@H](CO)NCCC(F)(F)F)[C@H]1CNC(=O)N1 ZINC001423256390 890654245 /nfs/dbraw/zinc/65/42/45/890654245.db2.gz KLMBWIFLKCDENF-NKWVEPMBSA-N 0 3 298.265 -1.313 20 0 CAADHN CC[C@@H](NC1(CNC(=O)c2c[nH]c(=O)cn2)CC1)C(N)=O ZINC001423261642 890656951 /nfs/dbraw/zinc/65/69/51/890656951.db2.gz VJSSWYGPLAZWHZ-MRVPVSSYSA-N 0 3 293.327 -1.114 20 0 CAADHN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](CO)NCC(N)=O ZINC001423269009 890658715 /nfs/dbraw/zinc/65/87/15/890658715.db2.gz SAFKVTATYUVWKI-WPRPVWTQSA-N 0 3 283.332 -1.860 20 0 CAADHN C[C@H](NC1(CNC(=O)CCN2CCOCC2)CC1)C(N)=O ZINC001423288299 890661020 /nfs/dbraw/zinc/66/10/20/890661020.db2.gz OMCJWFIJARMPDC-NSHDSACASA-N 0 3 298.387 -1.179 20 0 CAADHN CS(=O)(=O)CCN[C@@H](CO)CNC(=O)c1nnc[nH]1 ZINC001423293877 890661323 /nfs/dbraw/zinc/66/13/23/890661323.db2.gz UNUCVNQJFLCINZ-SSDOTTSWSA-N 0 3 291.333 -2.470 20 0 CAADHN Cn1nncc1CN[C@@H](CO)CNC(=O)c1ncn[nH]1 ZINC001423292231 890661729 /nfs/dbraw/zinc/66/17/29/890661729.db2.gz RIAQXHHSTVOULZ-SSDOTTSWSA-N 0 3 280.292 -2.186 20 0 CAADHN Cn1nncc1CN[C@@H](CO)CNC(=O)c1nc[nH]n1 ZINC001423292231 890661734 /nfs/dbraw/zinc/66/17/34/890661734.db2.gz RIAQXHHSTVOULZ-SSDOTTSWSA-N 0 3 280.292 -2.186 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@H](CO)NCC(N)=O)C1 ZINC001423299811 890663465 /nfs/dbraw/zinc/66/34/65/890663465.db2.gz JUHBNEVSNKKCRX-NXEZZACHSA-N 0 3 288.348 -2.741 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)COC)[C@H]1C ZINC001423308895 890663623 /nfs/dbraw/zinc/66/36/23/890663623.db2.gz KGPLFFURJGQXED-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)COC)[C@@H]1C ZINC001423308897 890664008 /nfs/dbraw/zinc/66/40/08/890664008.db2.gz KGPLFFURJGQXED-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN O=C(NC[C@@H](CO)NCCO)[C@@H]1CCCS1(=O)=O ZINC001423299861 890664827 /nfs/dbraw/zinc/66/48/27/890664827.db2.gz JZCCEVHQRCKMFM-IUCAKERBSA-N 0 3 280.346 -2.377 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NC[C@@H](CO)NCCO ZINC001423302230 890664862 /nfs/dbraw/zinc/66/48/62/890664862.db2.gz LVHGJQRYGYIEIM-VIFPVBQESA-N 0 3 282.362 -2.131 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CS(C)(=O)=O)C1 ZINC001423338322 890666386 /nfs/dbraw/zinc/66/63/86/890666386.db2.gz OCIZXSXVTOCEEI-IUCAKERBSA-N 0 3 291.373 -1.644 20 0 CAADHN CCNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)Cn2cncn2)C1 ZINC001423340272 890666637 /nfs/dbraw/zinc/66/66/37/890666637.db2.gz IWZNLKYKBRVDPN-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CNC(=O)C2CC2)C1 ZINC001423335157 890666690 /nfs/dbraw/zinc/66/66/90/890666690.db2.gz KOUGRDGKVWFGPD-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCn2cncn2)[C@H]1C ZINC001423318143 890667629 /nfs/dbraw/zinc/66/76/29/890667629.db2.gz QUYDMJAGQPFXBW-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2N)[C@H]1C ZINC001423330423 890667759 /nfs/dbraw/zinc/66/77/59/890667759.db2.gz NENLWWIPBSVSIB-WCBMZHEXSA-N 0 3 294.359 -1.059 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cnn(C)c2N)[C@@H]1C ZINC001423330371 890667811 /nfs/dbraw/zinc/66/78/11/890667811.db2.gz NENLWWIPBSVSIB-PSASIEDQSA-N 0 3 294.359 -1.059 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@H](NCC(=O)NC)C[C@H]1C ZINC001423342402 890668068 /nfs/dbraw/zinc/66/80/68/890668068.db2.gz RMLCMBFFBCNQLU-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)Cn1cncn1 ZINC001423326030 890668095 /nfs/dbraw/zinc/66/80/95/890668095.db2.gz KHSIKXRQZHQEJM-WDEREUQCSA-N 0 3 294.359 -1.055 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001423333030 890668302 /nfs/dbraw/zinc/66/83/02/890668302.db2.gz NOQAHKVULSEHSK-WPRPVWTQSA-N 0 3 294.359 -1.019 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@@H](NCC(=O)NC)C[C@@H]1C ZINC001423342404 890668434 /nfs/dbraw/zinc/66/84/34/890668434.db2.gz RMLCMBFFBCNQLU-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)NC)[C@H]1C ZINC001423346014 890668480 /nfs/dbraw/zinc/66/84/80/890668480.db2.gz REWHILRIRYDQEH-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001423426379 890669842 /nfs/dbraw/zinc/66/98/42/890669842.db2.gz FRENCPXCHIWYJS-LLVKDONJSA-N 0 3 297.359 -1.043 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCCO1 ZINC001423417444 890669993 /nfs/dbraw/zinc/66/99/93/890669993.db2.gz RCLXPSPVXQPVLH-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)C1CCC1 ZINC001423415678 890670313 /nfs/dbraw/zinc/67/03/13/890670313.db2.gz DXQVLCAVUPTEEN-VIFPVBQESA-N 0 3 286.332 -1.610 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnn(C)c1 ZINC001423412328 890670428 /nfs/dbraw/zinc/67/04/28/890670428.db2.gz GOVKOBJYXMCWLF-QWRGUYRKSA-N 0 3 295.343 -1.669 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)C(C)(C)F ZINC001423424668 890670503 /nfs/dbraw/zinc/67/05/03/890670503.db2.gz XCUUAZKACJULCX-SSDOTTSWSA-N 0 3 292.311 -1.662 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)CCOC ZINC001423401896 890670640 /nfs/dbraw/zinc/67/06/40/890670640.db2.gz FGSQSZIVBWJQHM-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C)no1 ZINC001423412178 890670716 /nfs/dbraw/zinc/67/07/16/890670716.db2.gz FZPIIWDVXSVAOR-VIFPVBQESA-N 0 3 284.316 -1.248 20 0 CAADHN CC(=O)N(C)C[C@H](O)CNCc1cc(=O)n(C)c(=O)n1C ZINC001423403980 890670726 /nfs/dbraw/zinc/67/07/26/890670726.db2.gz HDFMJOXDVPQYCW-LLVKDONJSA-N 0 3 298.343 -1.987 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001423411038 890670751 /nfs/dbraw/zinc/67/07/51/890670751.db2.gz QNYDWWJJPKAZGP-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CCCO1 ZINC001423417441 890670837 /nfs/dbraw/zinc/67/08/37/890670837.db2.gz RCLXPSPVXQPVLH-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN COCCC(=O)N(C)C[C@H](O)CNCC(=O)N1CCC1 ZINC001423402807 890670967 /nfs/dbraw/zinc/67/09/67/890670967.db2.gz GTOPLSKZDKACNK-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CN[C@@H]1CCCNC1=O ZINC001423411035 890671061 /nfs/dbraw/zinc/67/10/61/890671061.db2.gz QNYDWWJJPKAZGP-NXEZZACHSA-N 0 3 273.333 -1.680 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)OC ZINC001423426335 890671369 /nfs/dbraw/zinc/67/13/69/890671369.db2.gz FDWODPWIYRMIJR-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](N[C@H](C)C(N)=O)C(C)(C)C1 ZINC001423400187 890671436 /nfs/dbraw/zinc/67/14/36/890671436.db2.gz UZFGZBIHDSTHJL-RKDXNWHRSA-N 0 3 299.375 -1.384 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001423418554 890671501 /nfs/dbraw/zinc/67/15/01/890671501.db2.gz PJKHADVPFMZZST-IUCAKERBSA-N 0 3 283.332 -1.433 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1CN(C(=O)c2nc[n-]n2)CC1(C)C ZINC001423401300 890671670 /nfs/dbraw/zinc/67/16/70/890671670.db2.gz LCYBWTXZSSNJDK-MRVPVSSYSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2nc[nH]n2)CC1(C)C ZINC001423401300 890671676 /nfs/dbraw/zinc/67/16/76/890671676.db2.gz LCYBWTXZSSNJDK-MRVPVSSYSA-N 0 3 280.332 -1.009 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)c1cocn1 ZINC001423435275 890673300 /nfs/dbraw/zinc/67/33/00/890673300.db2.gz OUPJYVRRUPNNDS-SNVBAGLBSA-N 0 3 296.327 -1.071 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1COC(=O)N1 ZINC001423450117 890673460 /nfs/dbraw/zinc/67/34/60/890673460.db2.gz ASDAIFIFIGBAQB-YUMQZZPRSA-N 0 3 270.289 -1.839 20 0 CAADHN Cc1cnn(CC(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001423428645 890673496 /nfs/dbraw/zinc/67/34/96/890673496.db2.gz OAFGIRYQBIMXCG-WDEREUQCSA-N 0 3 297.359 -1.526 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)ncn1 ZINC001423428302 890673586 /nfs/dbraw/zinc/67/35/86/890673586.db2.gz ILXFJSULUOBCIC-VIFPVBQESA-N 0 3 281.316 -1.707 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnns1 ZINC001423433938 890673646 /nfs/dbraw/zinc/67/36/46/890673646.db2.gz YKJVHGZIEXROAA-YUMQZZPRSA-N 0 3 299.356 -1.551 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)Cc1cc[nH]n1 ZINC001423429024 890673730 /nfs/dbraw/zinc/67/37/30/890673730.db2.gz FLCFUDZSRDPSDV-MWLCHTKSSA-N 0 3 297.359 -1.504 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001423444610 890673826 /nfs/dbraw/zinc/67/38/26/890673826.db2.gz SKEVHKFXMQROSU-SNVBAGLBSA-N 0 3 297.359 -1.090 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1COC(=O)N1 ZINC001423442260 890673856 /nfs/dbraw/zinc/67/38/56/890673856.db2.gz MDWXCDCZVRHROZ-RQJHMYQMSA-N 0 3 274.277 -3.011 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@@H]1CCOC1 ZINC001423434064 890673874 /nfs/dbraw/zinc/67/38/74/890673874.db2.gz OFGMVRSNLWPCMP-UWVGGRQHSA-N 0 3 273.333 -1.693 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](O)C(C)C ZINC001423445467 890674033 /nfs/dbraw/zinc/67/40/33/890674033.db2.gz UMHOTZIOVNAKHU-CMPLNLGQSA-N 0 3 289.376 -1.452 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CC1OCCCO1 ZINC001423439452 890674156 /nfs/dbraw/zinc/67/41/56/890674156.db2.gz CTXLZGQKNBQYKV-VIFPVBQESA-N 0 3 289.332 -1.966 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CN[C@H]1CCCNC1=O ZINC001423426840 890674174 /nfs/dbraw/zinc/67/41/74/890674174.db2.gz GRIWMPFTURNXRX-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1COC(=O)N1 ZINC001423442239 890674361 /nfs/dbraw/zinc/67/43/61/890674361.db2.gz MDWXCDCZVRHROZ-BQBZGAKWSA-N 0 3 274.277 -3.011 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001423447149 890674403 /nfs/dbraw/zinc/67/44/03/890674403.db2.gz ULPZJUAGFVQXDC-SECBINFHSA-N 0 3 298.347 -2.189 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnnn1C ZINC001423448221 890675209 /nfs/dbraw/zinc/67/52/09/890675209.db2.gz ZAPWUWDTWGCLEF-DTWKUNHWSA-N 0 3 296.331 -2.274 20 0 CAADHN Cc1cnn(CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)c1 ZINC001423428643 890675223 /nfs/dbraw/zinc/67/52/23/890675223.db2.gz OAFGIRYQBIMXCG-QWRGUYRKSA-N 0 3 297.359 -1.526 20 0 CAADHN C[C@@H](C(=O)N1CCC[C@H]1CNCC(N)=O)n1cncn1 ZINC001423454515 890676611 /nfs/dbraw/zinc/67/66/11/890676611.db2.gz KUNXSDIAFFFXTP-UWVGGRQHSA-N 0 3 280.332 -1.095 20 0 CAADHN C[C@H](C(=O)N1CCC[C@H]1CNCC(N)=O)S(C)(=O)=O ZINC001423474897 890677081 /nfs/dbraw/zinc/67/70/81/890677081.db2.gz YWILOKLBOJDTAZ-BDAKNGLRSA-N 0 3 291.373 -1.515 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1csnn1 ZINC001423461464 890677216 /nfs/dbraw/zinc/67/72/16/890677216.db2.gz IASQVCNWIRUXGB-SFYZADRCSA-N 0 3 299.356 -1.551 20 0 CAADHN Cc1ncc(CC(=O)N(C)C[C@H](O)CNCC(N)=O)o1 ZINC001423468897 890677305 /nfs/dbraw/zinc/67/73/05/890677305.db2.gz RQDCTDOZGOVMDQ-SECBINFHSA-N 0 3 284.316 -1.580 20 0 CAADHN Cc1ncc(CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)o1 ZINC001423462697 890677402 /nfs/dbraw/zinc/67/74/02/890677402.db2.gz KZCINSYPYZYPPX-SCZZXKLOSA-N 0 3 298.343 -1.192 20 0 CAADHN C[C@H](CC(=O)N(C)C[C@@H](O)CNCC(N)=O)n1ccnc1 ZINC001423465564 890677486 /nfs/dbraw/zinc/67/74/86/890677486.db2.gz KCOSKQSIIIIXSU-MNOVXSKESA-N 0 3 297.359 -1.272 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)C[C@H](C)NC(N)=O ZINC001423457726 890677521 /nfs/dbraw/zinc/67/75/21/890677521.db2.gz XKCMFLUWCWFBBR-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN Cc1nnccc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001423469019 890677564 /nfs/dbraw/zinc/67/75/64/890677564.db2.gz SVEZOOCOHKWHQM-VIFPVBQESA-N 0 3 281.316 -1.707 20 0 CAADHN C[C@@H](CC(=O)N(C)C[C@@H](O)CNCC(N)=O)n1ccnc1 ZINC001423465567 890677853 /nfs/dbraw/zinc/67/78/53/890677853.db2.gz KCOSKQSIIIIXSU-QWRGUYRKSA-N 0 3 297.359 -1.272 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1COC(=O)N1 ZINC001423452487 890677980 /nfs/dbraw/zinc/67/79/80/890677980.db2.gz GTJFATJAXNPPKH-DTWKUNHWSA-N 0 3 284.316 -1.579 20 0 CAADHN CN(C[C@@H](O)CNCc1cnon1)C(=O)Cc1c[nH]cn1 ZINC001423472034 890678094 /nfs/dbraw/zinc/67/80/94/890678094.db2.gz XJDATLUUMZSUMQ-NSHDSACASA-N 0 3 294.315 -1.056 20 0 CAADHN Cc1cncn1CC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001423462743 890678280 /nfs/dbraw/zinc/67/82/80/890678280.db2.gz RVVMQPNRKZNLBG-GHMZBOCLSA-N 0 3 297.359 -1.526 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001423463551 890678318 /nfs/dbraw/zinc/67/83/18/890678318.db2.gz QNKUAWVTVYPEKQ-OGBGREFGSA-N 0 3 285.344 -1.839 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)CNC(C)=O ZINC001423453151 890678376 /nfs/dbraw/zinc/67/83/76/890678376.db2.gz AHLNNKXLYKSEIL-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccn(C)n1 ZINC001423485248 890679633 /nfs/dbraw/zinc/67/96/33/890679633.db2.gz NXLHPWDNMYZESE-NXEZZACHSA-N 0 3 295.343 -1.669 20 0 CAADHN CCn1cnc(C(=O)N(C)C[C@H](O)CNCC(N)=O)c1 ZINC001423476980 890679677 /nfs/dbraw/zinc/67/96/77/890679677.db2.gz HMWPDSAKFHWVKH-SECBINFHSA-N 0 3 283.332 -1.589 20 0 CAADHN Cc1ccc(CC(=O)N(C)C[C@H](O)CNCC(N)=O)cn1 ZINC001423484061 890679733 /nfs/dbraw/zinc/67/97/33/890679733.db2.gz KZXQQENVEKISME-GFCCVEGCSA-N 0 3 294.355 -1.173 20 0 CAADHN COc1ncc(C(=O)N(C)C[C@H](O)CNCC(N)=O)cn1 ZINC001423475484 890679948 /nfs/dbraw/zinc/67/99/48/890679948.db2.gz KOWIWLZLXOMFPC-SECBINFHSA-N 0 3 297.315 -2.007 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001423476268 890680060 /nfs/dbraw/zinc/68/00/60/890680060.db2.gz YADPRRQHXBCMHJ-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cnon1)C(=O)N(C)C ZINC001423478438 890680124 /nfs/dbraw/zinc/68/01/24/890680124.db2.gz LBZJWHUKHVCVPD-IUCAKERBSA-N 0 3 299.331 -1.431 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cnon1)C(=O)N(C)C ZINC001423478437 890680560 /nfs/dbraw/zinc/68/05/60/890680560.db2.gz LBZJWHUKHVCVPD-DTWKUNHWSA-N 0 3 299.331 -1.431 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)CCn1ccnn1 ZINC001423509900 890680599 /nfs/dbraw/zinc/68/05/99/890680599.db2.gz ZZYPZRUKMFARFU-LLVKDONJSA-N 0 3 285.348 -1.588 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1ncc[nH]1 ZINC001423487249 890680646 /nfs/dbraw/zinc/68/06/46/890680646.db2.gz ZRODGTIMXZISFO-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1n[nH]cc1F)C(N)=O ZINC001423477885 890680674 /nfs/dbraw/zinc/68/06/74/890680674.db2.gz VZWDFBLRAPYHOM-BQBZGAKWSA-N 0 3 287.295 -1.555 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccn(C)n1 ZINC001423485260 890680936 /nfs/dbraw/zinc/68/09/36/890680936.db2.gz NXLHPWDNMYZESE-ZJUUUORDSA-N 0 3 295.343 -1.669 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccn(C)n1 ZINC001423485253 890680960 /nfs/dbraw/zinc/68/09/60/890680960.db2.gz NXLHPWDNMYZESE-UWVGGRQHSA-N 0 3 295.343 -1.669 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001423487437 890681115 /nfs/dbraw/zinc/68/11/15/890681115.db2.gz PZCUPLJSGOULMW-BDAKNGLRSA-N 0 3 296.331 -2.274 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@]1(C)CCCOC1 ZINC001423483591 890681259 /nfs/dbraw/zinc/68/12/59/890681259.db2.gz QLCXWBVHYOOSDH-MFKMUULPSA-N 0 3 287.360 -1.303 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001423504705 890681295 /nfs/dbraw/zinc/68/12/95/890681295.db2.gz POIOSCZAEDVXHC-JTQLQIEISA-N 0 3 270.333 -1.223 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnn(C)n1 ZINC001423487452 890681658 /nfs/dbraw/zinc/68/16/58/890681658.db2.gz PZCUPLJSGOULMW-RKDXNWHRSA-N 0 3 296.331 -2.274 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001423476646 890681957 /nfs/dbraw/zinc/68/19/57/890681957.db2.gz IBNPUWYAUICXPI-MRVPVSSYSA-N 0 3 285.304 -1.772 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@]1(C)CCCOC1 ZINC001423483580 890682080 /nfs/dbraw/zinc/68/20/80/890682080.db2.gz QLCXWBVHYOOSDH-GXFFZTMASA-N 0 3 287.360 -1.303 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001423504708 890682338 /nfs/dbraw/zinc/68/23/38/890682338.db2.gz POIOSCZAEDVXHC-SNVBAGLBSA-N 0 3 270.333 -1.223 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1n[nH]cc1F)C(N)=O ZINC001423477889 890682427 /nfs/dbraw/zinc/68/24/27/890682427.db2.gz VZWDFBLRAPYHOM-RQJHMYQMSA-N 0 3 287.295 -1.555 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)CCOC ZINC001423508776 890682521 /nfs/dbraw/zinc/68/25/21/890682521.db2.gz WOXMEULIOPSBOR-JTQLQIEISA-N 0 3 290.364 -1.687 20 0 CAADHN C[C@@]1(NC(=O)Cc2nnc[nH]2)CCN([C@@H]2CCNC2=O)C1 ZINC001423582956 890683777 /nfs/dbraw/zinc/68/37/77/890683777.db2.gz IVLSABNPABOOCU-NOZJJQNGSA-N 0 3 292.343 -1.184 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1cnn(C)n1 ZINC001423535971 890684357 /nfs/dbraw/zinc/68/43/57/890684357.db2.gz UUDFERBWERGBKL-SECBINFHSA-N 0 3 271.321 -1.828 20 0 CAADHN C[C@@]1(NC(=O)Cc2nnc[nH]2)CCN([C@H]2CCNC2=O)C1 ZINC001423582959 890684943 /nfs/dbraw/zinc/68/49/43/890684943.db2.gz IVLSABNPABOOCU-TVQRCGJNSA-N 0 3 292.343 -1.184 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CNCC(N)=O)C1CCCC1 ZINC001423542114 890685591 /nfs/dbraw/zinc/68/55/91/890685591.db2.gz QXVBWYKJOIIBQK-JTQLQIEISA-N 0 3 299.375 -1.335 20 0 CAADHN C[C@]1(NC(=O)Cc2nnc[nH]2)CCN([C@@H]2CCNC2=O)C1 ZINC001423582958 890686818 /nfs/dbraw/zinc/68/68/18/890686818.db2.gz IVLSABNPABOOCU-RNCFNFMXSA-N 0 3 292.343 -1.184 20 0 CAADHN O=C(NCC1(NCCF)CCOCC1)[C@H]1CNC(=O)N1 ZINC001423718748 890690219 /nfs/dbraw/zinc/69/02/19/890690219.db2.gz JPBWYCQFGJQRKS-SECBINFHSA-N 0 3 288.323 -1.108 20 0 CAADHN Cc1c(CC(=O)NC[C@]2(O)CCN(CCO)C2)cnn1C ZINC001423770497 890693145 /nfs/dbraw/zinc/69/31/45/890693145.db2.gz SXPCUVIZLGNDDZ-CQSZACIVSA-N 0 3 296.371 -1.184 20 0 CAADHN C[C@@H](C(=O)NC[C@]1(O)CCN(CCO)C1)n1cccn1 ZINC001423753566 890693438 /nfs/dbraw/zinc/69/34/38/890693438.db2.gz NXTRLUHHQWICLK-WCQYABFASA-N 0 3 282.344 -1.011 20 0 CAADHN O=C(Cn1cnnn1)NC[C@]1(O)CCN(CCO)C1 ZINC001423752430 890693531 /nfs/dbraw/zinc/69/35/31/890693531.db2.gz STJWJBONMGAVPE-SNVBAGLBSA-N 0 3 270.293 -2.782 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2cn(C)nn2)C1 ZINC001423761888 890694517 /nfs/dbraw/zinc/69/45/17/890694517.db2.gz SNMXFTNVLIPWKP-GFCCVEGCSA-N 0 3 283.332 -1.372 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001423801652 890697499 /nfs/dbraw/zinc/69/74/99/890697499.db2.gz XBJVVBDUUNJHSZ-RISCZKNCSA-N 0 3 299.371 -1.457 20 0 CAADHN Cn1cc(CCC(=O)NC[C@]2(O)CCN(CCO)C2)cn1 ZINC001423797260 890698502 /nfs/dbraw/zinc/69/85/02/890698502.db2.gz DTAWACFXGUYRCZ-CQSZACIVSA-N 0 3 296.371 -1.102 20 0 CAADHN O=C(Cc1nnc[nH]1)NCC1(O)CN(C[C@H]2CCOC2)C1 ZINC001423885140 890712544 /nfs/dbraw/zinc/71/25/44/890712544.db2.gz DVFVDZTWGYNQLU-SNVBAGLBSA-N 0 3 295.343 -1.453 20 0 CAADHN CC(=O)NCC(=O)N[C@@]1(CO)CCCN(C[C@@H](C)O)C1 ZINC001424005611 890714071 /nfs/dbraw/zinc/71/40/71/890714071.db2.gz BHORZOKDHBLWGF-MFKMUULPSA-N 0 3 287.360 -1.554 20 0 CAADHN CC(=O)NCC(=O)N[C@]1(CO)CCCN(C[C@@H](C)O)C1 ZINC001424005617 890715292 /nfs/dbraw/zinc/71/52/92/890715292.db2.gz BHORZOKDHBLWGF-ZWNOBZJWSA-N 0 3 287.360 -1.554 20 0 CAADHN COC(=O)NCC(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001424068117 890717920 /nfs/dbraw/zinc/71/79/20/890717920.db2.gz MAQMSPMQQQNEAC-MRVPVSSYSA-N 0 3 290.320 -2.373 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H]1COC(=O)N1)C(N)=O ZINC001424045940 890718267 /nfs/dbraw/zinc/71/82/67/890718267.db2.gz HHUKEGLJVBWRFC-JGVFFNPUSA-N 0 3 288.304 -2.621 20 0 CAADHN O=C([C@H]1CCOC1)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001424072638 890718860 /nfs/dbraw/zinc/71/88/60/890718860.db2.gz SUYXWKMPBHEWES-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN CC(F)(F)C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001424064824 890719005 /nfs/dbraw/zinc/71/90/05/890719005.db2.gz HPVOGYZMMCDOSK-MRVPVSSYSA-N 0 3 279.287 -1.059 20 0 CAADHN Cn1ncc(C(=O)N(CCO)CCN[C@H]2CCNC2=O)n1 ZINC001424049018 890719187 /nfs/dbraw/zinc/71/91/87/890719187.db2.gz JESVLFAWVILYJK-VIFPVBQESA-N 0 3 296.331 -2.272 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cn(C)cn1 ZINC001424049048 890719537 /nfs/dbraw/zinc/71/95/37/890719537.db2.gz MFQQBVZYGBXTID-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@H]1COC(=O)N1)C(N)=O ZINC001424045944 890719595 /nfs/dbraw/zinc/71/95/95/890719595.db2.gz HHUKEGLJVBWRFC-SFYZADRCSA-N 0 3 288.304 -2.621 20 0 CAADHN Cc1c(C(=O)N(CCO)CCN[C@H](C)C(N)=O)cnn1C ZINC001424067921 890719652 /nfs/dbraw/zinc/71/96/52/890719652.db2.gz LGHOMTXENHZRGJ-SECBINFHSA-N 0 3 297.359 -1.374 20 0 CAADHN Cn1ncc(C(=O)N(CCO)CCN[C@@H]2CCNC2=O)n1 ZINC001424049016 890719770 /nfs/dbraw/zinc/71/97/70/890719770.db2.gz JESVLFAWVILYJK-SECBINFHSA-N 0 3 296.331 -2.272 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)C1=CCOCC1 ZINC001424042659 890719810 /nfs/dbraw/zinc/71/98/10/890719810.db2.gz ANMVBUFDXZRAQJ-LLVKDONJSA-N 0 3 299.371 -1.122 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H]1COCCN1CC(N)=O ZINC001424124290 890720230 /nfs/dbraw/zinc/72/02/30/890720230.db2.gz JHJWKVTZCFFAIQ-LLVKDONJSA-N 0 3 286.376 -1.371 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NCCN(CCO)C(C)=O ZINC001424064969 890720326 /nfs/dbraw/zinc/72/03/26/890720326.db2.gz JBALLRIRLDCORI-SECBINFHSA-N 0 3 288.348 -1.349 20 0 CAADHN Cc1ccnn1CC(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001424057458 890720815 /nfs/dbraw/zinc/72/08/15/890720815.db2.gz ZBSAUDOXQMYRJF-LLVKDONJSA-N 0 3 297.359 -1.524 20 0 CAADHN Cn1nncc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001424222603 890721738 /nfs/dbraw/zinc/72/17/38/890721738.db2.gz SMUKKLIKQCNQCI-MRVPVSSYSA-N 0 3 282.304 -2.269 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C[C@H]2CCOC2)CCO1 ZINC001424225234 890722040 /nfs/dbraw/zinc/72/20/40/890722040.db2.gz XGTXEYTVSMQEJD-MNOVXSKESA-N 0 3 285.344 -1.285 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2ccc(=O)[nH]n2)CCC1 ZINC001424148891 890722112 /nfs/dbraw/zinc/72/21/12/890722112.db2.gz ICLSTFQEGBYCCU-UHFFFAOYSA-N 0 3 279.300 -1.090 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cn(C)nn2)CCO1 ZINC001424215260 890722134 /nfs/dbraw/zinc/72/21/34/890722134.db2.gz DQXCJNRFWAAVIC-VIFPVBQESA-N 0 3 296.331 -2.008 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001424221062 890723167 /nfs/dbraw/zinc/72/31/67/890723167.db2.gz NNLIZQOBNKXJGB-LLVKDONJSA-N 0 3 295.343 -1.485 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)CC(C)(C)O)CCO1)C(N)=O ZINC001424215163 890723820 /nfs/dbraw/zinc/72/38/20/890723820.db2.gz DAARUHKFGAXORQ-VHSXEESVSA-N 0 3 287.360 -1.162 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CCOC2)CCO1 ZINC001424225240 890724086 /nfs/dbraw/zinc/72/40/86/890724086.db2.gz XGTXEYTVSMQEJD-QWRGUYRKSA-N 0 3 285.344 -1.285 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001424221069 890724149 /nfs/dbraw/zinc/72/41/49/890724149.db2.gz NNLIZQOBNKXJGB-NSHDSACASA-N 0 3 295.343 -1.485 20 0 CAADHN Cc1c(C(=O)NCC2(NCC(N)=O)CCC2)nnn1C ZINC001424164589 890724318 /nfs/dbraw/zinc/72/43/18/890724318.db2.gz QLLIHJOPLSTMQR-UHFFFAOYSA-N 0 3 280.332 -1.149 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@@H]2CCC(=O)N2C)CCC1 ZINC001424194657 890724599 /nfs/dbraw/zinc/72/45/99/890724599.db2.gz PXAPOMURNJADPP-JTQLQIEISA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)Cn2cccn2)CCO1)C(N)=O ZINC001424230843 890725677 /nfs/dbraw/zinc/72/56/77/890725677.db2.gz PVIMUYGXDMSYFA-QWRGUYRKSA-N 0 3 295.343 -1.426 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C[C@@H]2CCC(=O)N2)CCO1 ZINC001424233334 890726112 /nfs/dbraw/zinc/72/61/12/890726112.db2.gz XDUNFGCIZJHWLL-UWVGGRQHSA-N 0 3 298.343 -2.043 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)Cn2cccn2)CCO1)C(N)=O ZINC001424230848 890726304 /nfs/dbraw/zinc/72/63/04/890726304.db2.gz PVIMUYGXDMSYFA-WDEREUQCSA-N 0 3 295.343 -1.426 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1 ZINC001424232224 890726626 /nfs/dbraw/zinc/72/66/26/890726626.db2.gz ALIKYXVUTVFPPT-UXCLJVHYSA-N 0 3 283.328 -1.819 20 0 CAADHN CCOCC(=O)N1CCO[C@H](CNCC(=O)NC)C1 ZINC001424230608 890726675 /nfs/dbraw/zinc/72/66/75/890726675.db2.gz PGENLQOTOSONCU-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2n[nH]nc2C)CCO1 ZINC001424252318 890727184 /nfs/dbraw/zinc/72/71/84/890727184.db2.gz ZJSHAFRPKFSNOA-VIFPVBQESA-N 0 3 296.331 -1.710 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2csnn2)CCO1)C(N)=O ZINC001424234585 890727307 /nfs/dbraw/zinc/72/73/07/890727307.db2.gz DPUXQTRZBGTFRC-SFYZADRCSA-N 0 3 299.356 -1.158 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)Cn2cccn2)CCO1)C(N)=O ZINC001424230838 890727456 /nfs/dbraw/zinc/72/74/56/890727456.db2.gz PVIMUYGXDMSYFA-MNOVXSKESA-N 0 3 295.343 -1.426 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)Cn2cccn2)CCO1)C(N)=O ZINC001424230831 890728193 /nfs/dbraw/zinc/72/81/93/890728193.db2.gz PVIMUYGXDMSYFA-GHMZBOCLSA-N 0 3 295.343 -1.426 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ccc(=O)[nH]c2)CCO1 ZINC001424239837 890728261 /nfs/dbraw/zinc/72/82/61/890728261.db2.gz NICQIFCZYPAZDE-JTQLQIEISA-N 0 3 294.311 -1.297 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1C ZINC001424474355 890732606 /nfs/dbraw/zinc/73/26/06/890732606.db2.gz HTGAKJWVXRTRDC-IUCAKERBSA-N 0 3 281.320 -2.144 20 0 CAADHN CCC(=O)NCC(=O)N1C[C@H](NCC(N)=O)[C@@H](C)C1 ZINC001424461607 890733430 /nfs/dbraw/zinc/73/34/30/890733430.db2.gz DBWXOKJXQKGEIY-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC2CC2)C1 ZINC001424489469 890734059 /nfs/dbraw/zinc/73/40/59/890734059.db2.gz RZURWUUPCBQYQC-SKDRFNHKSA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)CNCC1(NC(=O)c2cnns2)CCOCC1 ZINC001424418259 890734569 /nfs/dbraw/zinc/73/45/69/890734569.db2.gz PMPPRAMMQSLOAV-UHFFFAOYSA-N 0 3 299.356 -1.108 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)Cn2cnnn2)C[C@@H]1C ZINC001424493566 890734596 /nfs/dbraw/zinc/73/45/96/890734596.db2.gz VZTXGJGTLNGFMV-IUCAKERBSA-N 0 3 281.320 -2.144 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001424493563 890734749 /nfs/dbraw/zinc/73/47/49/890734749.db2.gz VZTXGJGTLNGFMV-BDAKNGLRSA-N 0 3 281.320 -2.144 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001424489209 890735060 /nfs/dbraw/zinc/73/50/60/890735060.db2.gz YBWWRIFADJEGCX-ZJUUUORDSA-N 0 3 299.375 -1.512 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)C2=CCOCC2)CC1 ZINC001424532798 890736160 /nfs/dbraw/zinc/73/61/60/890736160.db2.gz ZWTLDISJOZSHLC-UHFFFAOYSA-N 0 3 297.355 -1.239 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)C[C@@H]2CCCO2)CC1 ZINC001424520278 890736333 /nfs/dbraw/zinc/73/63/33/890736333.db2.gz JQPYOFIFGDJHFS-NSHDSACASA-N 0 3 299.371 -1.016 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)C[C@H]2CCCO2)CC1 ZINC001424520276 890737569 /nfs/dbraw/zinc/73/75/69/890737569.db2.gz JQPYOFIFGDJHFS-LLVKDONJSA-N 0 3 299.371 -1.016 20 0 CAADHN C[C@@H](NCC1(O)CCN(C(=O)c2ncc[nH]2)CC1)C(N)=O ZINC001424535443 890737601 /nfs/dbraw/zinc/73/76/01/890737601.db2.gz KPTMTXHDCVNEND-SECBINFHSA-N 0 3 295.343 -1.160 20 0 CAADHN O=C(Cn1cccn1)NC1(CO)CCN(CCO)CC1 ZINC001424635011 890737849 /nfs/dbraw/zinc/73/78/49/890737849.db2.gz CHZGAXYCFQOJTC-UHFFFAOYSA-N 0 3 282.344 -1.182 20 0 CAADHN C[C@H](NCC1(O)CCN(C(=O)c2ncc[nH]2)CC1)C(N)=O ZINC001424535448 890737948 /nfs/dbraw/zinc/73/79/48/890737948.db2.gz KPTMTXHDCVNEND-VIFPVBQESA-N 0 3 295.343 -1.160 20 0 CAADHN C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)NCC(=O)N(C)C ZINC001424749797 890738996 /nfs/dbraw/zinc/73/89/96/890738996.db2.gz JNDDPNPGVOMCDQ-DTWKUNHWSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCCC1=O ZINC001424744147 890739084 /nfs/dbraw/zinc/73/90/84/890739084.db2.gz GNZGXQGZYVCRRK-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001424754334 890739508 /nfs/dbraw/zinc/73/95/08/890739508.db2.gz WSAMXQJEJZFQGE-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN CCNC(=O)C[NH2+]CC1CC(NC(=O)Cc2nnc[n-]2)C1 ZINC001424756291 890740578 /nfs/dbraw/zinc/74/05/78/890740578.db2.gz VWCSJEDBCHHLTJ-UHFFFAOYSA-N 0 3 294.359 -1.032 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1cnnn1 ZINC001424754331 890741016 /nfs/dbraw/zinc/74/10/16/890741016.db2.gz WSAMXQJEJZFQGE-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN COCCN1CCC(CO)(NC(=O)Cn2cnnn2)CC1 ZINC001424638593 890741125 /nfs/dbraw/zinc/74/11/25/890741125.db2.gz NBPAWYYPFZOSQI-UHFFFAOYSA-N 0 3 298.347 -1.737 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1cnnn1 ZINC001424754326 890741409 /nfs/dbraw/zinc/74/14/09/890741409.db2.gz WSAMXQJEJZFQGE-UWVGGRQHSA-N 0 3 297.363 -1.366 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@H]1COCCO1 ZINC001424639401 890741533 /nfs/dbraw/zinc/74/15/33/890741533.db2.gz MWMXGDKTEPPIEF-LLVKDONJSA-N 0 3 288.344 -1.663 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cn1cncn1 ZINC001424855109 890742851 /nfs/dbraw/zinc/74/28/51/890742851.db2.gz NJCJOCQCAONAPQ-UWVGGRQHSA-N 0 3 282.348 -1.103 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1cncn1 ZINC001424855101 890742929 /nfs/dbraw/zinc/74/29/29/890742929.db2.gz NJCJOCQCAONAPQ-NXEZZACHSA-N 0 3 282.348 -1.103 20 0 CAADHN C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)Cn1cncn1 ZINC001424847584 890742986 /nfs/dbraw/zinc/74/29/86/890742986.db2.gz GHQLTKGKQWYFMQ-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001424847795 890743052 /nfs/dbraw/zinc/74/30/52/890743052.db2.gz GYNBPRFYTVJXRH-RKDXNWHRSA-N 0 3 295.343 -1.377 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCn1cnnn1 ZINC001424832714 890743194 /nfs/dbraw/zinc/74/31/94/890743194.db2.gz NVTZLLKGGLMKQA-DTWKUNHWSA-N 0 3 283.336 -1.708 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001424785019 890743629 /nfs/dbraw/zinc/74/36/29/890743629.db2.gz XXTJABLQGPAQMP-RKDXNWHRSA-N 0 3 295.343 -1.377 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)Cn1ccccc1=O ZINC001424851470 890744074 /nfs/dbraw/zinc/74/40/74/890744074.db2.gz JSRJQUIBAVEZMO-ZJUUUORDSA-N 0 3 280.328 -1.184 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1ccc(=O)n(C)n1 ZINC001424847783 890744286 /nfs/dbraw/zinc/74/42/86/890744286.db2.gz GYNBPRFYTVJXRH-DTWKUNHWSA-N 0 3 295.343 -1.377 20 0 CAADHN C[C@H](NCC(=O)N(C)C)[C@H](C)NC(=O)c1ncn(C)n1 ZINC001424769317 890744574 /nfs/dbraw/zinc/74/45/74/890744574.db2.gz YDNPCEJMZOCGIY-IUCAKERBSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)Cn1cncn1 ZINC001424847592 890744634 /nfs/dbraw/zinc/74/46/34/890744634.db2.gz GHQLTKGKQWYFMQ-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cc(=O)n(C)cn1 ZINC001424785008 890744945 /nfs/dbraw/zinc/74/49/45/890744945.db2.gz XXTJABLQGPAQMP-BDAKNGLRSA-N 0 3 295.343 -1.377 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCn1cnnn1 ZINC001424832716 890746182 /nfs/dbraw/zinc/74/61/82/890746182.db2.gz NVTZLLKGGLMKQA-IUCAKERBSA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCS1(=O)=O)N(C)CCO ZINC001424946887 890747020 /nfs/dbraw/zinc/74/70/20/890747020.db2.gz VPENFUNDRFJKMQ-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN C[C@H](CNC(=O)CN1CCCS1(=O)=O)N(C)CCO ZINC001424946890 890748723 /nfs/dbraw/zinc/74/87/23/890748723.db2.gz VPENFUNDRFJKMQ-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)CCO ZINC001425071663 890752658 /nfs/dbraw/zinc/75/26/58/890752658.db2.gz HGLWHRIOCLRIFL-ZJUUUORDSA-N 0 3 272.349 -1.042 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)CCO ZINC001425071661 890753627 /nfs/dbraw/zinc/75/36/27/890753627.db2.gz HGLWHRIOCLRIFL-UWVGGRQHSA-N 0 3 272.349 -1.042 20 0 CAADHN COCC(=O)NC[C@@H](CO)NC(=O)Cc1nc[nH]c1C ZINC001425280132 890762397 /nfs/dbraw/zinc/76/23/97/890762397.db2.gz SJQIKUABNKHWSX-VIFPVBQESA-N 0 3 284.316 -1.500 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001425312431 890767262 /nfs/dbraw/zinc/76/72/62/890767262.db2.gz XYBSAIBTCJTEDZ-LLVKDONJSA-N 0 3 297.359 -1.042 20 0 CAADHN CCCN(C)CC(=O)N[C@H](CO)CNC(=O)c1cn[nH]c1 ZINC001425312435 890769062 /nfs/dbraw/zinc/76/90/62/890769062.db2.gz XYBSAIBTCJTEDZ-NSHDSACASA-N 0 3 297.359 -1.042 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](CO)NC(=O)Cc1nc[nH]c1C ZINC001425312516 890769210 /nfs/dbraw/zinc/76/92/10/890769210.db2.gz IRLWLDFDLNXNTM-ZJUUUORDSA-N 0 3 298.343 -1.111 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001425344109 890770816 /nfs/dbraw/zinc/77/08/16/890770816.db2.gz AENLYBWFJLSHFO-IONNQARKSA-N 0 3 282.304 -1.891 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cn[nH]n2)CCO1 ZINC001425344101 890771645 /nfs/dbraw/zinc/77/16/45/890771645.db2.gz AENLYBWFJLSHFO-CBAPKCEASA-N 0 3 282.304 -1.891 20 0 CAADHN CNC(=O)CN(C)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001425434175 890777748 /nfs/dbraw/zinc/77/77/48/890777748.db2.gz WTCAIZFNNLLHFV-UHFFFAOYSA-N 0 3 299.375 -1.286 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](CO)NC(=O)c1ncc[nH]1 ZINC001425458353 890780786 /nfs/dbraw/zinc/78/07/86/890780786.db2.gz YUWZCHWNJFAIQV-SNVBAGLBSA-N 0 3 297.359 -1.042 20 0 CAADHN CN(C(=O)CN1CCOCC1)[C@@H](CNCC(N)=O)C1CC1 ZINC001425479484 890782305 /nfs/dbraw/zinc/78/23/05/890782305.db2.gz VXILTGJUGJGFOA-LBPRGKRZSA-N 0 3 298.387 -1.370 20 0 CAADHN Cc1nnc(CC(=O)N(C)[C@@H](CNCC(N)=O)C2CC2)[nH]1 ZINC001425481135 890783692 /nfs/dbraw/zinc/78/36/92/890783692.db2.gz BDMNLQIMVWTTKA-JTQLQIEISA-N 0 3 294.359 -1.032 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](CO)CNC(=O)c1cnon1 ZINC001425479932 890784397 /nfs/dbraw/zinc/78/43/97/890784397.db2.gz AZHMHAWBHVMSSG-SECBINFHSA-N 0 3 299.331 -1.382 20 0 CAADHN CN(C(=O)C[C@H]1CCC(=O)N1)[C@@H](CNCC(N)=O)C1CC1 ZINC001425512155 890786087 /nfs/dbraw/zinc/78/60/87/890786087.db2.gz UODFYEWPYDJLKI-MNOVXSKESA-N 0 3 296.371 -1.033 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)N[C@H](C)C(N)=O)C1 ZINC001425550076 890786584 /nfs/dbraw/zinc/78/65/84/890786584.db2.gz BSMRDKXDZBFBDE-RKDXNWHRSA-N 0 3 284.360 -1.225 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001425521331 890786907 /nfs/dbraw/zinc/78/69/07/890786907.db2.gz WEFFKJNRMLXOMM-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CNC(=O)OC ZINC001425531377 890786960 /nfs/dbraw/zinc/78/69/60/890786960.db2.gz MLTBSVZIROCYEQ-IUCAKERBSA-N 0 3 288.348 -1.087 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001425521327 890787565 /nfs/dbraw/zinc/78/75/65/890787565.db2.gz WEFFKJNRMLXOMM-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)N[C@H]1CCNC1=O ZINC001425536210 890788769 /nfs/dbraw/zinc/78/87/69/890788769.db2.gz CFBHGBWTAJRZAJ-WPRPVWTQSA-N 0 3 294.359 -1.059 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O)C1 ZINC001425550018 890788878 /nfs/dbraw/zinc/78/88/78/890788878.db2.gz BSMRDKXDZBFBDE-IUCAKERBSA-N 0 3 284.360 -1.225 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccoc1CC(N)=O)NCC(N)=O ZINC001425632857 890789827 /nfs/dbraw/zinc/78/98/27/890789827.db2.gz ZVEJGFZJOLJNPV-QMMMGPOBSA-N 0 3 296.327 -1.157 20 0 CAADHN C[C@H](CN(C)C(=O)c1nnn(C)n1)N[C@@H]1CCNC1=O ZINC001425601684 890790433 /nfs/dbraw/zinc/79/04/33/890790433.db2.gz NNNJUURHMYMZQD-HTQZYQBOSA-N 0 3 281.320 -1.851 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21)NCC(=O)NC(N)=O ZINC001425613967 890791213 /nfs/dbraw/zinc/79/12/13/890791213.db2.gz BKIHJCMYYHZCAH-WYOJIJJFSA-N 0 3 298.343 -1.490 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCCNC1=O)NCC(N)=O ZINC001425587100 890791274 /nfs/dbraw/zinc/79/12/74/890791274.db2.gz POJJXDCTNYIUNY-SECBINFHSA-N 0 3 285.348 -1.677 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)NC ZINC001425566133 890791597 /nfs/dbraw/zinc/79/15/97/890791597.db2.gz VBMKRBAXUHLYRH-IUCAKERBSA-N 0 3 287.364 -1.514 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)NCC(N)=O ZINC001425612868 890791927 /nfs/dbraw/zinc/79/19/27/890791927.db2.gz LHPGTIZBPNMBAA-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCCNC1=O)NCC(N)=O ZINC001425587102 890792488 /nfs/dbraw/zinc/79/24/88/890792488.db2.gz POJJXDCTNYIUNY-VIFPVBQESA-N 0 3 285.348 -1.677 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001425686000 890792513 /nfs/dbraw/zinc/79/25/13/890792513.db2.gz WSGGZJYZYNAJDK-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001425608514 890792682 /nfs/dbraw/zinc/79/26/82/890792682.db2.gz AGXZQFWDKWEFIS-SSDOTTSWSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccc2n[nH]nc2n1)NCC(N)=O ZINC001425551385 890792854 /nfs/dbraw/zinc/79/28/54/890792854.db2.gz CWHTXYWCFFWBRI-ZETCQYMHSA-N 0 3 291.315 -1.112 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001425685997 890792957 /nfs/dbraw/zinc/79/29/57/890792957.db2.gz WSGGZJYZYNAJDK-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001425606159 890793130 /nfs/dbraw/zinc/79/31/30/890793130.db2.gz VWLMWZIGTISOIP-VIFPVBQESA-N 0 3 297.363 -1.214 20 0 CAADHN COc1cc(C(=O)N(C)C[C@H](C)NCC(N)=O)nn1C ZINC001425603976 890793292 /nfs/dbraw/zinc/79/32/92/890793292.db2.gz NYBRAHWZAWFOIL-QMMMGPOBSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nnn(C)n1)N[C@@H]1CCNC1=O ZINC001425601685 890793372 /nfs/dbraw/zinc/79/33/72/890793372.db2.gz NNNJUURHMYMZQD-JGVFFNPUSA-N 0 3 281.320 -1.851 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cncn1)NCC(=O)N(C)C ZINC001425692249 890793421 /nfs/dbraw/zinc/79/34/21/890793421.db2.gz VJRWLHRPUFIEJP-JTQLQIEISA-N 0 3 282.348 -1.197 20 0 CAADHN CCCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001425635238 890793468 /nfs/dbraw/zinc/79/34/68/890793468.db2.gz VBHXGODHTLAQHO-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)CCn1cnnn1 ZINC001425654812 890793528 /nfs/dbraw/zinc/79/35/28/890793528.db2.gz ALHBRGGNTZEQRF-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN O=C(NC[C@H](CO)NC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001425717057 890798424 /nfs/dbraw/zinc/79/84/24/890798424.db2.gz NAAXGUSRFYVQAB-GXSJLCMTSA-N 0 3 290.385 -1.102 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@H]1CCCOC1 ZINC001425717626 890798566 /nfs/dbraw/zinc/79/85/66/890798566.db2.gz BRUJZEUFBXNOMU-NWDGAFQWSA-N 0 3 297.359 -1.229 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1ccon1 ZINC001425714517 890799419 /nfs/dbraw/zinc/79/94/19/890799419.db2.gz PIPPCHLRKGNTIN-VIFPVBQESA-N 0 3 280.288 -1.353 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@@H]1CCCO1 ZINC001425714637 890800418 /nfs/dbraw/zinc/80/04/18/890800418.db2.gz QGNMTLWEXVOOAJ-MNOVXSKESA-N 0 3 283.332 -1.476 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1ccon1 ZINC001425714512 890800768 /nfs/dbraw/zinc/80/07/68/890800768.db2.gz PIPPCHLRKGNTIN-SECBINFHSA-N 0 3 280.288 -1.353 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@@H]1CCCOC1 ZINC001425717625 890800838 /nfs/dbraw/zinc/80/08/38/890800838.db2.gz BRUJZEUFBXNOMU-NEPJUHHUSA-N 0 3 297.359 -1.229 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1cnns1 ZINC001425720707 890802160 /nfs/dbraw/zinc/80/21/60/890802160.db2.gz XLTPRZVWGRNFPI-MRVPVSSYSA-N 0 3 297.344 -1.490 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001425722926 890802225 /nfs/dbraw/zinc/80/22/25/890802225.db2.gz NSEDKBQQPAORLD-UWVGGRQHSA-N 0 3 271.321 -1.620 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@@H]1COC(=O)N1 ZINC001425735539 890805993 /nfs/dbraw/zinc/80/59/93/890805993.db2.gz AARRCRDGRRXDGF-IUCAKERBSA-N 0 3 298.303 -2.547 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@@H]1COC(=O)N1 ZINC001425735537 890807024 /nfs/dbraw/zinc/80/70/24/890807024.db2.gz AARRCRDGRRXDGF-BDAKNGLRSA-N 0 3 298.303 -2.547 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](CO)NCCC(F)(F)F ZINC001425748405 890810246 /nfs/dbraw/zinc/81/02/46/890810246.db2.gz AWUYTOKAXSYZBN-ZETCQYMHSA-N 0 3 296.253 -1.308 20 0 CAADHN CN(CC(=O)NC[C@@H](CO)NCC(N)=O)C1CCC1 ZINC001425756350 890813857 /nfs/dbraw/zinc/81/38/57/890813857.db2.gz WSOVVJSALLNTLJ-VIFPVBQESA-N 0 3 272.349 -1.977 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@H](CO)[NH2+]CC(=O)N1CCC1 ZINC001425780888 890817699 /nfs/dbraw/zinc/81/76/99/890817699.db2.gz XRNABBYFBCOXAN-SECBINFHSA-N 0 3 296.331 -1.974 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](CO)CNC(=O)Cn1cncc1C ZINC001425788517 890818026 /nfs/dbraw/zinc/81/80/26/890818026.db2.gz UVZQENCRRVSXAZ-GHMZBOCLSA-N 0 3 297.359 -1.607 20 0 CAADHN CCNC(=O)CN[C@@H](CO)CNC(=O)Cn1cncc1C ZINC001425782688 890818434 /nfs/dbraw/zinc/81/84/34/890818434.db2.gz LATYQHWZOJWDRA-LLVKDONJSA-N 0 3 297.359 -1.606 20 0 CAADHN CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)c1[n-]nnc1C ZINC001425775288 890819033 /nfs/dbraw/zinc/81/90/33/890819033.db2.gz MVAWFHLTTKYSOS-SECBINFHSA-N 0 3 298.347 -1.728 20 0 CAADHN O=C(Cc1cnoc1)NC[C@H](CO)NCCn1cncn1 ZINC001425796958 890822144 /nfs/dbraw/zinc/82/21/44/890822144.db2.gz LJFXMXLZBSTOHT-LLVKDONJSA-N 0 3 294.315 -1.425 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC[C@@H](CO)NCC(=O)N1CCC1 ZINC001425789860 890822224 /nfs/dbraw/zinc/82/22/24/890822224.db2.gz HZNDSMFNSRRAOD-NWDGAFQWSA-N 0 3 298.387 -1.620 20 0 CAADHN CN(C)CCn1nccc1NC(=O)N1CC(O)(C(N)=O)C1 ZINC001425805437 890822350 /nfs/dbraw/zinc/82/23/50/890822350.db2.gz MNGSSJOKDJBSNU-UHFFFAOYSA-N 0 3 296.331 -1.491 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NCCN1CCNC1=O ZINC001425799007 890822475 /nfs/dbraw/zinc/82/24/75/890822475.db2.gz UCZLZEJRKREIAJ-GMTAPVOTSA-N 0 3 284.360 -1.266 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cnnn2C)[C@@H]1C ZINC001425864284 890832009 /nfs/dbraw/zinc/83/20/09/890832009.db2.gz ODSHTBJJOWHDFA-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCNC(=O)NC)[C@H]1C ZINC001425866074 890832832 /nfs/dbraw/zinc/83/28/32/890832832.db2.gz UFSGDYLGLGJCHL-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)NC2CC2)[C@@H]1C ZINC001425863895 890834424 /nfs/dbraw/zinc/83/44/24/890834424.db2.gz GAXRCWNXHGJJLG-CABZTGNLSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cnccn1)C(N)=O ZINC001425965300 890835526 /nfs/dbraw/zinc/83/55/26/890835526.db2.gz DAPWNLGBDYFVTJ-BDAKNGLRSA-N 0 3 281.316 -1.627 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)c2cnn(C)n2)C1 ZINC001425903570 890835681 /nfs/dbraw/zinc/83/56/81/890835681.db2.gz MURHVIPLRDFZDL-DTWKUNHWSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnccn1)C(N)=O ZINC001425965306 890835715 /nfs/dbraw/zinc/83/57/15/890835715.db2.gz DAPWNLGBDYFVTJ-RKDXNWHRSA-N 0 3 281.316 -1.627 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](O)CNCc1cncn1C ZINC001425972999 890835993 /nfs/dbraw/zinc/83/59/93/890835993.db2.gz RONYJUMUNRDUCV-GFCCVEGCSA-N 0 3 297.359 -1.535 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCn2cnnn2)C1 ZINC001425905618 890836021 /nfs/dbraw/zinc/83/60/21/890836021.db2.gz PBNLXXSKKXXFJT-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)CCn1cncn1)C(N)=O ZINC001425975368 890836283 /nfs/dbraw/zinc/83/62/83/890836283.db2.gz UGCSXIJBFJTPPV-VHSXEESVSA-N 0 3 298.347 -2.049 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H](O)CN(C)C(C)=O ZINC001425972468 890836375 /nfs/dbraw/zinc/83/63/75/890836375.db2.gz AYTKGOIOPQONLX-APPZFPTMSA-N 0 3 274.321 -1.741 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnccn1 ZINC001425967875 890836450 /nfs/dbraw/zinc/83/64/50/890836450.db2.gz JCRLLIOEZWUEER-ZJUUUORDSA-N 0 3 293.327 -1.612 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)CCn2cnnn2)C1 ZINC001425905609 890836504 /nfs/dbraw/zinc/83/65/04/890836504.db2.gz PBNLXXSKKXXFJT-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)c2cnn(C)n2)C1 ZINC001425903564 890836550 /nfs/dbraw/zinc/83/65/50/890836550.db2.gz MURHVIPLRDFZDL-BDAKNGLRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001425963266 890836955 /nfs/dbraw/zinc/83/69/55/890836955.db2.gz LOHSOQTZTOJPHI-DTWKUNHWSA-N 0 3 284.360 -1.190 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001425963424 890837076 /nfs/dbraw/zinc/83/70/76/890837076.db2.gz LOHSOQTZTOJPHI-RKDXNWHRSA-N 0 3 284.360 -1.190 20 0 CAADHN COCCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC001425973675 890837098 /nfs/dbraw/zinc/83/70/98/890837098.db2.gz CVGCDCOQJFKYDZ-MNOVXSKESA-N 0 3 289.376 -1.092 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnccn1 ZINC001425967870 890837151 /nfs/dbraw/zinc/83/71/51/890837151.db2.gz JCRLLIOEZWUEER-VHSXEESVSA-N 0 3 293.327 -1.612 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)c1cn[nH]c1 ZINC001425973922 890837215 /nfs/dbraw/zinc/83/72/15/890837215.db2.gz DAWCIVYMHFYZTA-LLVKDONJSA-N 0 3 295.343 -1.289 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1(C)C ZINC001425956213 890837256 /nfs/dbraw/zinc/83/72/56/890837256.db2.gz QVFPGYWAVBCWOI-KXUCPTDWSA-N 0 3 296.371 -1.320 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cccnc1 ZINC001425975404 890837278 /nfs/dbraw/zinc/83/72/78/890837278.db2.gz VYRXTEARESMGLJ-NEPJUHHUSA-N 0 3 292.339 -1.007 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)no1 ZINC001425985864 890838520 /nfs/dbraw/zinc/83/85/20/890838520.db2.gz QTMPPBSAWHZVGC-QMMMGPOBSA-N 0 3 270.289 -1.509 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)[C@@H]1CCOC1 ZINC001425985454 890838552 /nfs/dbraw/zinc/83/85/52/890838552.db2.gz VASJNGBOSYSPIA-VXGBXAGGSA-N 0 3 299.371 -1.336 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CN(C)C(=O)c1cc[nH]n1 ZINC001425979258 890838839 /nfs/dbraw/zinc/83/88/39/890838839.db2.gz PFNVIARNYJGRBX-JTQLQIEISA-N 0 3 297.359 -1.043 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cc1cnn(C)c1 ZINC001425986597 890838981 /nfs/dbraw/zinc/83/89/81/890838981.db2.gz XZXBXUOTGZOJEX-SNVBAGLBSA-N 0 3 283.332 -2.143 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nccnc1N ZINC001425989366 890839361 /nfs/dbraw/zinc/83/93/61/890839361.db2.gz OGLXWMACYZJUJN-MRVPVSSYSA-N 0 3 296.331 -2.173 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cc1cccnc1)C(N)=O ZINC001425989789 890839411 /nfs/dbraw/zinc/83/94/11/890839411.db2.gz XVSXTDLEDZSQGK-JQWIXIFHSA-N 0 3 294.355 -1.093 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)C1=COCCC1)C(N)=O ZINC001425980210 890839450 /nfs/dbraw/zinc/83/94/50/890839450.db2.gz ITUDKEYWPJUJGP-GXSJLCMTSA-N 0 3 285.344 -1.037 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)CNC(C)=O ZINC001426066467 890850804 /nfs/dbraw/zinc/85/08/04/890850804.db2.gz UMQFRFFGXBBZMJ-LLVKDONJSA-N 0 3 275.349 -1.480 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001425988384 890839539 /nfs/dbraw/zinc/83/95/39/890839539.db2.gz WHTYYEFLSSZBGC-VIFPVBQESA-N 0 3 299.335 -2.782 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc[nH]c(=O)c1 ZINC001425988830 890839584 /nfs/dbraw/zinc/83/95/84/890839584.db2.gz RXSCHFOTZQASFX-JTQLQIEISA-N 0 3 296.327 -1.444 20 0 CAADHN Cc1ncoc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001425989501 890839971 /nfs/dbraw/zinc/83/99/71/890839971.db2.gz OUPDGNLTMVHRBG-MRVPVSSYSA-N 0 3 270.289 -1.509 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001425979506 890840131 /nfs/dbraw/zinc/84/01/31/890840131.db2.gz HCVJMMMBYLLHFV-DTWKUNHWSA-N 0 3 299.335 -2.784 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@H]2CCNC2=O)on1 ZINC001425976141 890840235 /nfs/dbraw/zinc/84/02/35/890840235.db2.gz CEVPQIRQITUJTM-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@H](O)CNCC(=O)NC)cn1 ZINC001425991147 890840386 /nfs/dbraw/zinc/84/03/86/890840386.db2.gz UUHWKOQNHRLSLO-LLVKDONJSA-N 0 3 297.359 -1.329 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)Cc1cnn(C)c1)C(N)=O ZINC001425980895 890841044 /nfs/dbraw/zinc/84/10/44/890841044.db2.gz JZYWXFNAVDUFOZ-GXSJLCMTSA-N 0 3 297.359 -1.755 20 0 CAADHN Cc1ncoc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001425989506 890841181 /nfs/dbraw/zinc/84/11/81/890841181.db2.gz OUPDGNLTMVHRBG-QMMMGPOBSA-N 0 3 270.289 -1.509 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001425998274 890841214 /nfs/dbraw/zinc/84/12/14/890841214.db2.gz CGZRGJIVFVXPSA-MRVPVSSYSA-N 0 3 284.320 -2.416 20 0 CAADHN Cc1nnccc1C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O ZINC001425994850 890841764 /nfs/dbraw/zinc/84/17/64/890841764.db2.gz GMRRHOLJBBCSFR-VHSXEESVSA-N 0 3 295.343 -1.319 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCC1)C(=O)[C@H]1CCOC1 ZINC001425985449 890841840 /nfs/dbraw/zinc/84/18/40/890841840.db2.gz VASJNGBOSYSPIA-RYUDHWBXSA-N 0 3 299.371 -1.336 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CNCC(=O)NC(=O)NC1CC1 ZINC001425986922 890842141 /nfs/dbraw/zinc/84/21/41/890842141.db2.gz ZDAVTIZDNGLXGF-JTQLQIEISA-N 0 3 286.332 -1.597 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001426015381 890842894 /nfs/dbraw/zinc/84/28/94/890842894.db2.gz IGAVPDQJLBLWOY-GXSJLCMTSA-N 0 3 295.343 -1.371 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001426016969 890843081 /nfs/dbraw/zinc/84/30/81/890843081.db2.gz SAAPSWLLXAMIFJ-BDAKNGLRSA-N 0 3 286.332 -2.499 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1ncn(C)n1)C(N)=O ZINC001426017947 890843354 /nfs/dbraw/zinc/84/33/54/890843354.db2.gz ZUGMAGLAVCGCQU-YUMQZZPRSA-N 0 3 284.320 -2.289 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@]1(F)CCOC1 ZINC001426021811 890843400 /nfs/dbraw/zinc/84/34/00/890843400.db2.gz FRKCUJQJZZIDIN-LDYMZIIASA-N 0 3 277.296 -1.991 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001426011018 890843447 /nfs/dbraw/zinc/84/34/47/890843447.db2.gz DRXHHDZOURTVET-NKWVEPMBSA-N 0 3 285.308 -2.894 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1ncn(C)n1 ZINC001426017596 890843514 /nfs/dbraw/zinc/84/35/14/890843514.db2.gz ZAKBRPSFVOEITJ-IUCAKERBSA-N 0 3 298.347 -2.028 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001426013300 890843573 /nfs/dbraw/zinc/84/35/73/890843573.db2.gz UCGIHZJCIXCYQC-VIFPVBQESA-N 0 3 298.347 -2.026 20 0 CAADHN CO[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)C(C)C ZINC001426026951 890843738 /nfs/dbraw/zinc/84/37/38/890843738.db2.gz LIGBIXMICUCTNJ-GXSJLCMTSA-N 0 3 275.349 -1.448 20 0 CAADHN Cc1nocc1C(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001426033950 890843846 /nfs/dbraw/zinc/84/38/46/890843846.db2.gz XHKGTRSMITWBSO-KOLCDFICSA-N 0 3 296.327 -1.106 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@]1(F)CCOC1 ZINC001426021798 890843889 /nfs/dbraw/zinc/84/38/89/890843889.db2.gz FRKCUJQJZZIDIN-KCJUWKMLSA-N 0 3 277.296 -1.991 20 0 CAADHN CCn1ncc(C(=O)N(C)C[C@H](O)CNCC(=O)NC)n1 ZINC001426018527 890844063 /nfs/dbraw/zinc/84/40/63/890844063.db2.gz ZSHCCWLRFAOBBF-SECBINFHSA-N 0 3 298.347 -1.934 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1ncn(C)n1)C(N)=O ZINC001426017934 890844145 /nfs/dbraw/zinc/84/41/45/890844145.db2.gz ZUGMAGLAVCGCQU-JGVFFNPUSA-N 0 3 284.320 -2.289 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cnnn1C)C(N)=O ZINC001426012032 890844208 /nfs/dbraw/zinc/84/42/08/890844208.db2.gz SILGMANGMSIUOI-JGVFFNPUSA-N 0 3 284.320 -2.289 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001426029664 890844223 /nfs/dbraw/zinc/84/42/23/890844223.db2.gz FDUILLCHNDJTQR-DTWKUNHWSA-N 0 3 283.332 -1.386 20 0 CAADHN CC[C@@H](F)CNC[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001426018727 890844261 /nfs/dbraw/zinc/84/42/61/890844261.db2.gz YNWQOEJXZOZWQR-BDAKNGLRSA-N 0 3 288.327 -1.019 20 0 CAADHN C[C@@H](Cc1c[nH]cn1)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001426032432 890844346 /nfs/dbraw/zinc/84/43/46/890844346.db2.gz JRBUNSXUDHASQI-ONGXEEELSA-N 0 3 297.359 -1.518 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CNC(=O)NC ZINC001426002585 890844393 /nfs/dbraw/zinc/84/43/93/890844393.db2.gz KIVHAQWIMUSQDG-QMMMGPOBSA-N 0 3 289.336 -2.930 20 0 CAADHN Cc1nocc1C(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001426033945 890844443 /nfs/dbraw/zinc/84/44/43/890844443.db2.gz XHKGTRSMITWBSO-GXSJLCMTSA-N 0 3 296.327 -1.106 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001426019079 890845137 /nfs/dbraw/zinc/84/51/37/890845137.db2.gz YYXYDRBIOQYISM-SFYZADRCSA-N 0 3 299.335 -2.504 20 0 CAADHN C[C@H](Cc1c[nH]cn1)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001426032430 890845200 /nfs/dbraw/zinc/84/52/00/890845200.db2.gz JRBUNSXUDHASQI-KOLCDFICSA-N 0 3 297.359 -1.518 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001426019078 890845244 /nfs/dbraw/zinc/84/52/44/890845244.db2.gz YYXYDRBIOQYISM-JGVFFNPUSA-N 0 3 299.335 -2.504 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1nnn(C)n1)C(N)=O ZINC001426011022 890845269 /nfs/dbraw/zinc/84/52/69/890845269.db2.gz DRXHHDZOURTVET-RQJHMYQMSA-N 0 3 285.308 -2.894 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1c[nH]nc1C ZINC001426018246 890845289 /nfs/dbraw/zinc/84/52/89/890845289.db2.gz MGQQEJUAHBEUMI-VHSXEESVSA-N 0 3 297.359 -1.125 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001426020615 890845408 /nfs/dbraw/zinc/84/54/08/890845408.db2.gz CVOWKDLWIRPLLO-ZIQFBCGOSA-N 0 3 297.355 -1.824 20 0 CAADHN Cc1nocc1C(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001426033958 890845495 /nfs/dbraw/zinc/84/54/95/890845495.db2.gz XHKGTRSMITWBSO-ONGXEEELSA-N 0 3 296.327 -1.106 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccc(F)cn1 ZINC001426005480 890845639 /nfs/dbraw/zinc/84/56/39/890845639.db2.gz QXROWIVKLNGUMU-SNVBAGLBSA-N 0 3 298.318 -1.011 20 0 CAADHN CO[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)C(C)C ZINC001426026955 890845885 /nfs/dbraw/zinc/84/58/85/890845885.db2.gz LIGBIXMICUCTNJ-ONGXEEELSA-N 0 3 275.349 -1.448 20 0 CAADHN CC[C@H](F)CNC[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001426018731 890845910 /nfs/dbraw/zinc/84/59/10/890845910.db2.gz YNWQOEJXZOZWQR-IUCAKERBSA-N 0 3 288.327 -1.019 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001426015387 890845933 /nfs/dbraw/zinc/84/59/33/890845933.db2.gz IGAVPDQJLBLWOY-KOLCDFICSA-N 0 3 295.343 -1.371 20 0 CAADHN CCc1oncc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001426031188 890845962 /nfs/dbraw/zinc/84/59/62/890845962.db2.gz IKNIQVLFMWXEML-QMMMGPOBSA-N 0 3 284.316 -1.255 20 0 CAADHN CCn1ncc(C(=O)N(C)C[C@@H](O)CNCC(=O)NC)n1 ZINC001426018529 890846100 /nfs/dbraw/zinc/84/61/00/890846100.db2.gz ZSHCCWLRFAOBBF-VIFPVBQESA-N 0 3 298.347 -1.934 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001426015393 890846120 /nfs/dbraw/zinc/84/61/20/890846120.db2.gz IGAVPDQJLBLWOY-MWLCHTKSSA-N 0 3 295.343 -1.371 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1nn(C)cc1C ZINC001426013666 890846157 /nfs/dbraw/zinc/84/61/57/890846157.db2.gz SORRZDPOXMJRRC-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN Cc1c(C(=O)N(C)C[C@@H](O)CNCC(N)=O)ccn1C ZINC001426035253 890846921 /nfs/dbraw/zinc/84/69/21/890846921.db2.gz YZMQQTJUNXKRRZ-JTQLQIEISA-N 0 3 282.344 -1.159 20 0 CAADHN Cc1c(C(=O)N(C)C[C@H](O)CNCC(N)=O)ccn1C ZINC001426035258 890847234 /nfs/dbraw/zinc/84/72/34/890847234.db2.gz YZMQQTJUNXKRRZ-SNVBAGLBSA-N 0 3 282.344 -1.159 20 0 CAADHN CCCn1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)cn1 ZINC001426038017 890847446 /nfs/dbraw/zinc/84/74/46/890847446.db2.gz RUTSTHBDXXYKBY-LLVKDONJSA-N 0 3 297.359 -1.199 20 0 CAADHN Cc1nccc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001426046862 890847641 /nfs/dbraw/zinc/84/76/41/890847641.db2.gz CXALPAYAPQHHIJ-WCBMZHEXSA-N 0 3 295.343 -1.319 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@H]1COCCO1 ZINC001426057628 890848302 /nfs/dbraw/zinc/84/83/02/890848302.db2.gz HODXRHNTJJMSII-GHMZBOCLSA-N 0 3 276.333 -1.855 20 0 CAADHN Cc1nc[nH]c1C(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001426060187 890848327 /nfs/dbraw/zinc/84/83/27/890848327.db2.gz UMURUJKBOMSPEA-VHSXEESVSA-N 0 3 295.343 -1.371 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001426037379 890848495 /nfs/dbraw/zinc/84/84/95/890848495.db2.gz QEDOYXQBOMPVCI-DTWKUNHWSA-N 0 3 286.332 -2.451 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1[nH]cnc1C ZINC001426047942 890848857 /nfs/dbraw/zinc/84/88/57/890848857.db2.gz CXZMDDHYLQSROG-JTQLQIEISA-N 0 3 297.359 -1.123 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccn(C)n1 ZINC001426059648 890849415 /nfs/dbraw/zinc/84/94/15/890849415.db2.gz XFYPDKSZBGCRRJ-SECBINFHSA-N 0 3 283.332 -1.811 20 0 CAADHN Cc1nccc(C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001426046864 890850676 /nfs/dbraw/zinc/85/06/76/890850676.db2.gz CXALPAYAPQHHIJ-WPRPVWTQSA-N 0 3 295.343 -1.319 20 0 CAADHN Cc1nccc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001426046860 890850698 /nfs/dbraw/zinc/85/06/98/890850698.db2.gz CXALPAYAPQHHIJ-SCZZXKLOSA-N 0 3 295.343 -1.319 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1nonc1C ZINC001426056234 890850954 /nfs/dbraw/zinc/85/09/54/890850954.db2.gz OLQGDPXXMDVWHE-DTWKUNHWSA-N 0 3 299.331 -1.465 20 0 CAADHN Cc1n[nH]c(C)c1CC(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001426037005 890850976 /nfs/dbraw/zinc/85/09/76/890850976.db2.gz IBLMZXZASPGFQH-JTQLQIEISA-N 0 3 297.359 -1.537 20 0 CAADHN COCCN(CCNC(=O)[C@@H]1CCC(=O)N1)C[C@@H](C)O ZINC001426163850 890851932 /nfs/dbraw/zinc/85/19/32/890851932.db2.gz DQGWRDOBAZWALW-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CCn1nc(C)c(C(=O)N(C)C[C@H](O)CN(C)CCO)n1 ZINC001426084079 890855216 /nfs/dbraw/zinc/85/52/16/890855216.db2.gz CNPAITKSITYOEZ-LLVKDONJSA-N 0 3 299.375 -1.037 20 0 CAADHN COC(=O)NCC(=O)N[C@H](CNCC(N)=O)C(C)(C)C ZINC001426128551 890855723 /nfs/dbraw/zinc/85/57/23/890855723.db2.gz AOAUAPYRVVUQCL-MRVPVSSYSA-N 0 3 288.348 -1.052 20 0 CAADHN COCC(=O)N[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1O ZINC001426507238 890856451 /nfs/dbraw/zinc/85/64/51/890856451.db2.gz MQCFZBWJQNTRHE-IJLUTSLNSA-N 0 3 299.371 -1.338 20 0 CAADHN CN(C)CCN(C)C(=O)NC[C@H]1CC(C(N)=O)=NO1 ZINC001427500563 890873439 /nfs/dbraw/zinc/87/34/39/890873439.db2.gz BEDCPIBBOMLQTA-MRVPVSSYSA-N 0 3 271.321 -1.180 20 0 CAADHN CC[C@H](C(=O)N[C@@H](CO)CNC(=O)[C@@H](C)OC)N(C)C ZINC001427755740 890885238 /nfs/dbraw/zinc/88/52/38/890885238.db2.gz CVOMSRIIVHPQBH-GMTAPVOTSA-N 0 3 289.376 -1.045 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](CO)CNC(=O)c1cnon1 ZINC001427918011 890899234 /nfs/dbraw/zinc/89/92/34/890899234.db2.gz GADYCQYXPOKZNC-SECBINFHSA-N 0 3 299.331 -1.383 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](C)NC(=O)CNC(N)=O ZINC001428640082 890921220 /nfs/dbraw/zinc/92/12/20/890921220.db2.gz DSSXJVWCLZAYIQ-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001428642766 890921599 /nfs/dbraw/zinc/92/15/99/890921599.db2.gz ZELOFZLMQUEDAE-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN(C)C(=O)[C@H]1CCCN1C ZINC001429229794 890932336 /nfs/dbraw/zinc/93/23/36/890932336.db2.gz YGEXNWIKAZVPEU-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN CCN(CC)CC(=O)N(C)CCNC(=O)c1nnn(C)n1 ZINC001429427635 890938307 /nfs/dbraw/zinc/93/83/07/890938307.db2.gz OSGWJMZUMKPGKP-UHFFFAOYSA-N 0 3 297.363 -1.260 20 0 CAADHN CN(CCNC(=O)c1nnn(C)n1)C(=O)CN1CCCC1 ZINC001429426070 890938658 /nfs/dbraw/zinc/93/86/58/890938658.db2.gz JETZLYXHFZTLFY-UHFFFAOYSA-N 0 3 295.347 -1.506 20 0 CAADHN CN(CCNC(=O)[C@H]1CNC(=O)N1)C(=O)[C@@H]1CCCN1C ZINC001429458260 890939207 /nfs/dbraw/zinc/93/92/07/890939207.db2.gz PGBGFOIFEOWUCP-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN CCCN(C)CC(=O)NCCN(C)C(=O)Cn1ncnn1 ZINC001429406845 890939406 /nfs/dbraw/zinc/93/94/06/890939406.db2.gz IADNMYNHGHEJFX-UHFFFAOYSA-N 0 3 297.363 -1.411 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001429516463 890940971 /nfs/dbraw/zinc/94/09/71/890940971.db2.gz NAYNAJFQCGIFSF-GFCCVEGCSA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCN(C)C(=O)CNC(N)=O)C1 ZINC001429496436 890941753 /nfs/dbraw/zinc/94/17/53/890941753.db2.gz QPYKELHPHXPQKP-JTQLQIEISA-N 0 3 299.375 -1.429 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)CCNC(N)=O)C1)N(C)C ZINC001430188131 890948849 /nfs/dbraw/zinc/94/88/49/890948849.db2.gz BSFLKMROGSTHPH-JTQLQIEISA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC001430271444 890950421 /nfs/dbraw/zinc/95/04/21/890950421.db2.gz NFDQUIRUVVVMGF-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001430752225 890959406 /nfs/dbraw/zinc/95/94/06/890959406.db2.gz FAKXLPLYCNQCPO-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001430701616 890960160 /nfs/dbraw/zinc/96/01/60/890960160.db2.gz BSLRRYPQMVJXSK-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001431296020 890966893 /nfs/dbraw/zinc/96/68/93/890966893.db2.gz ABEDRYNSUUVCFG-JTQLQIEISA-N 0 3 299.375 -1.417 20 0 CAADHN CC(C)N(C)CC(=O)N(C)CCNC(=O)Cn1ncnn1 ZINC001431272800 890967340 /nfs/dbraw/zinc/96/73/40/890967340.db2.gz ZSFXZVRDNZKFSM-UHFFFAOYSA-N 0 3 297.363 -1.412 20 0 CAADHN CC(C)N(C)CC(=O)NCCN(C)C(=O)[C@H]1CNC(=O)N1 ZINC001431296038 890968853 /nfs/dbraw/zinc/96/88/53/890968853.db2.gz ABEDRYNSUUVCFG-SNVBAGLBSA-N 0 3 299.375 -1.417 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001431489721 890979532 /nfs/dbraw/zinc/97/95/32/890979532.db2.gz JVQVERHSQSXWJW-LLVKDONJSA-N 0 3 297.359 -1.043 20 0 CAADHN CC[C@H](C(=O)N[C@H](C)CNC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001431671643 890988268 /nfs/dbraw/zinc/98/82/68/890988268.db2.gz LAHDVAIZPIIUDZ-OPRDCNLKSA-N 0 3 299.375 -1.371 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](C)CNC(=O)CNC(N)=O ZINC001431814450 890991892 /nfs/dbraw/zinc/99/18/92/890991892.db2.gz HOTDMPIZTJECIN-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001432209894 890997731 /nfs/dbraw/zinc/99/77/31/890997731.db2.gz ANIYUHKFGUZMCI-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CN(C(=O)CNC(N)=O)C1 ZINC001432302057 890999705 /nfs/dbraw/zinc/99/97/05/890999705.db2.gz FQHCJPZWCSDBPJ-UHFFFAOYSA-N 0 3 294.315 -1.744 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001432264226 890999966 /nfs/dbraw/zinc/99/99/66/890999966.db2.gz BTVQTVMJQPAWOS-VIFPVBQESA-N 0 3 299.375 -1.290 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)c2nnn(C)n2)C1 ZINC001432317656 891000257 /nfs/dbraw/zinc/00/02/57/891000257.db2.gz JFAUVPHYIOUNGW-UHFFFAOYSA-N 0 3 295.347 -1.508 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)CCNC(N)=O)C1 ZINC001432253521 891001005 /nfs/dbraw/zinc/00/10/05/891001005.db2.gz STRFBQJNOQHYMC-UHFFFAOYSA-N 0 3 299.375 -1.286 20 0 CAADHN CC(=O)NCC(=O)N(C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001432360982 891002534 /nfs/dbraw/zinc/00/25/34/891002534.db2.gz QQHCPNLSPNTQAT-LBPRGKRZSA-N 0 3 296.371 -1.114 20 0 CAADHN CCN(CC)CC(=O)NC[C@H](O)CNC(=O)c1cnon1 ZINC001433300567 891026980 /nfs/dbraw/zinc/02/69/80/891026980.db2.gz WMEJNFNJRQXMDU-VIFPVBQESA-N 0 3 299.331 -1.382 20 0 CAADHN CC[C@H](C(=O)N[C@H](C)CNC(=O)Cn1cnnn1)N(C)C ZINC001433461971 891032673 /nfs/dbraw/zinc/03/26/73/891032673.db2.gz WHWONWFRJJEPPG-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](C)NC(=O)[C@H]1CNC(=O)N1)N(C)C ZINC001433604510 891039355 /nfs/dbraw/zinc/03/93/55/891039355.db2.gz CFYGNTQVIBEODW-AEJSXWLSSA-N 0 3 299.375 -1.371 20 0 CAADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)C2(O)COC2)CC1 ZINC001433634720 891040541 /nfs/dbraw/zinc/04/05/41/891040541.db2.gz JVUGXLQJXWRWPK-LLVKDONJSA-N 0 3 297.355 -1.312 20 0 CAADHN C[C@@H](CNC(=O)C1(O)COC1)CN1CCN(C)CC1 ZINC001433663189 891043019 /nfs/dbraw/zinc/04/30/19/891043019.db2.gz RJDSGXFVUXWVGU-NSHDSACASA-N 0 3 271.361 -1.253 20 0 CAADHN CCN1CCN(CCNC(=O)[C@@]2(O)CCOC2)CC1 ZINC001433666463 891044644 /nfs/dbraw/zinc/04/46/44/891044644.db2.gz XXHLQIMFSQVCCM-CYBMUJFWSA-N 0 3 271.361 -1.109 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N[C@@H](CO)CN(C)C ZINC001433966562 891065762 /nfs/dbraw/zinc/06/57/62/891065762.db2.gz KLXUFVXVMNWAFH-SECBINFHSA-N 0 3 281.378 -1.693 20 0 CAADHN Nc1ncn(CC(=O)NC[C@H]2CCCCN2CCO)n1 ZINC001434019004 891071100 /nfs/dbraw/zinc/07/11/00/891071100.db2.gz DAGBMNWOHXTELQ-SNVBAGLBSA-N 0 3 282.348 -1.177 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001434168426 891085380 /nfs/dbraw/zinc/08/53/80/891085380.db2.gz MQFBZJQDOKFQAM-ZJUUUORDSA-N 0 3 284.360 -1.414 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001434221892 891091256 /nfs/dbraw/zinc/09/12/56/891091256.db2.gz IXSYYUYPXOIZDV-DTORHVGOSA-N 0 3 270.333 -1.628 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@H](CCO)[C@H](CO)C1 ZINC001434438285 891115580 /nfs/dbraw/zinc/11/55/80/891115580.db2.gz HVNCUFQHDHQFTM-IHRRRGAJSA-N 0 3 297.399 -1.174 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@H](CO)[C@@H](CCO)C1 ZINC001434438287 891115762 /nfs/dbraw/zinc/11/57/62/891115762.db2.gz HVNCUFQHDHQFTM-MJBXVCDLSA-N 0 3 297.399 -1.174 20 0 CAADHN C[S@](=N)(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC001434448281 891118407 /nfs/dbraw/zinc/11/84/07/891118407.db2.gz XSXNJFHKKGCVRP-GOSISDBHSA-N 0 3 272.338 -1.250 20 0 CAADHN C[S@@](=N)(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC001434448323 891118557 /nfs/dbraw/zinc/11/85/57/891118557.db2.gz XSXNJFHKKGCVRP-SFHVURJKSA-N 0 3 272.338 -1.250 20 0 CAADHN COC(=O)Cn1cc(CCN2C[C@H](O)C[C@@]2(C)CO)nn1 ZINC001434481007 891121587 /nfs/dbraw/zinc/12/15/87/891121587.db2.gz OJXGVAKXTGUXER-YPMHNXCESA-N 0 3 298.343 -1.189 20 0 CAADHN Cn1nnnc1CCN1CC[C@@H](CS(N)(=O)=O)C1 ZINC001434493012 891123712 /nfs/dbraw/zinc/12/37/12/891123712.db2.gz UGUYKKLPEXFGSV-MRVPVSSYSA-N 0 3 274.350 -1.637 20 0 CAADHN Cn1nnnc1CCN1CC[C@H](CS(N)(=O)=O)C1 ZINC001434493014 891124961 /nfs/dbraw/zinc/12/49/61/891124961.db2.gz UGUYKKLPEXFGSV-QMMMGPOBSA-N 0 3 274.350 -1.637 20 0 CAADHN O=S1(=O)CCC[C@H](NC[C@H](O)Cn2ccnn2)C1 ZINC001434529644 891125745 /nfs/dbraw/zinc/12/57/45/891125745.db2.gz TXEVGDCELPRRPI-UWVGGRQHSA-N 0 3 274.346 -1.194 20 0 CAADHN COCCN(C)CCNC(=O)N1C[C@H](O)[C@@H](CO)C1 ZINC001434770488 891134520 /nfs/dbraw/zinc/13/45/20/891134520.db2.gz NAUPENQKIWFJSZ-MNOVXSKESA-N 0 3 275.349 -1.441 20 0 CAADHN CS(=O)(=O)CCC(=O)NC[C@H]1C[C@@H](NCC(N)=O)C1 ZINC001436351205 891150188 /nfs/dbraw/zinc/15/01/88/891150188.db2.gz PTTGTROURODLHD-DTORHVGOSA-N 0 3 291.373 -1.609 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)Cn2cncn2)[C@H]1C ZINC001436511964 891150381 /nfs/dbraw/zinc/15/03/81/891150381.db2.gz MXOAYHHZPBHIPA-UTUOFQBUSA-N 0 3 297.359 -1.136 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H]1C[C@H](NCC(N)=O)C1 ZINC001436406014 891151322 /nfs/dbraw/zinc/15/13/22/891151322.db2.gz XQXAHTJNEZLORJ-KYZUINATSA-N 0 3 291.373 -1.609 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001436729116 891153305 /nfs/dbraw/zinc/15/33/05/891153305.db2.gz HBWKRLJHIYPJCD-SNVBAGLBSA-N 0 3 293.389 -1.501 20 0 CAADHN CN(C(=O)CCNC(N)=O)C1CCN(CCO)CC1 ZINC001436676758 891154209 /nfs/dbraw/zinc/15/42/09/891154209.db2.gz SHHVGQMSJCCCHH-UHFFFAOYSA-N 0 3 272.349 -1.040 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnn(C)c2N)C1 ZINC001436593119 891154674 /nfs/dbraw/zinc/15/46/74/891154674.db2.gz NSHDWNUJBURNRH-RKDXNWHRSA-N 0 3 294.359 -1.059 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H](C)NC(C)=O)C1CC1 ZINC001436768439 891156326 /nfs/dbraw/zinc/15/63/26/891156326.db2.gz OBAIJGAPDWPJMR-KCJUWKMLSA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)C[NH2+][C@H](CNC(=O)CCc1nnc[n-]1)C1CC1 ZINC001436783556 891156450 /nfs/dbraw/zinc/15/64/50/891156450.db2.gz VIBQODOQFVFJGE-SNVBAGLBSA-N 0 3 294.359 -1.032 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)CC1=O ZINC001436799122 891156478 /nfs/dbraw/zinc/15/64/78/891156478.db2.gz YGQWMHYVKYSMRA-UWVGGRQHSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001436800730 891156538 /nfs/dbraw/zinc/15/65/38/891156538.db2.gz SKEQMRZJXYGHCY-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001436868378 891156573 /nfs/dbraw/zinc/15/65/73/891156573.db2.gz KKXXPNYVIKXDMB-ZJUUUORDSA-N 0 3 282.344 -1.599 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001436864458 891156693 /nfs/dbraw/zinc/15/66/93/891156693.db2.gz JYGBXLJRGNEKQD-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001436791921 891156799 /nfs/dbraw/zinc/15/67/99/891156799.db2.gz NMOSWTCWULLQAE-MRVPVSSYSA-N 0 3 271.321 -2.115 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cn[nH]c2)C1)C(=O)NC(N)=O ZINC001436862729 891157046 /nfs/dbraw/zinc/15/70/46/891157046.db2.gz JPWSGMNSNBXXNT-CBAPKCEASA-N 0 3 294.315 -1.203 20 0 CAADHN CS(=O)(=O)CCC(=O)N[C@H]1C[C@@H](NCC(N)=O)C1 ZINC001436960471 891159345 /nfs/dbraw/zinc/15/93/45/891159345.db2.gz PHNAVNDRLLUOQU-OCAPTIKFSA-N 0 3 277.346 -1.857 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001436895765 891159399 /nfs/dbraw/zinc/15/93/99/891159399.db2.gz KSQKKBFGHAXAJN-KYZUINATSA-N 0 3 295.347 -1.519 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)CN(C)C(C)=O ZINC001437107641 891161122 /nfs/dbraw/zinc/16/11/22/891161122.db2.gz LFFUMHWKZNGTBE-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1COCCO1)NCC(=O)NC1CC1 ZINC001437109473 891161480 /nfs/dbraw/zinc/16/14/80/891161480.db2.gz QOLKJBQNSQQOMH-GXSJLCMTSA-N 0 3 285.344 -1.225 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)Cn1ncnn1 ZINC001437049039 891161558 /nfs/dbraw/zinc/16/15/58/891161558.db2.gz LODODVJUBIWCGB-SECBINFHSA-N 0 3 281.320 -1.871 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)c1ccnn1C ZINC001437109864 891161947 /nfs/dbraw/zinc/16/19/47/891161947.db2.gz HYJRJMOAFFKQQF-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@H](CNC(=O)Cn1cccn1)N[C@@H](C)C(=O)NC(N)=O ZINC001437107904 891162205 /nfs/dbraw/zinc/16/22/05/891162205.db2.gz KJHOJFQNARAFMJ-BDAKNGLRSA-N 0 3 296.331 -1.439 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001437106248 891162278 /nfs/dbraw/zinc/16/22/78/891162278.db2.gz TXMFDPHALDSNAZ-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN COC[C@H](OC)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001437076848 891162637 /nfs/dbraw/zinc/16/26/37/891162637.db2.gz ZEOBMPZMDPQDTN-KZZRWZIVSA-N 0 3 297.355 -1.417 20 0 CAADHN COC[C@H](OC)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001437076849 891163169 /nfs/dbraw/zinc/16/31/69/891163169.db2.gz ZEOBMPZMDPQDTN-LVEVGFFFSA-N 0 3 297.355 -1.417 20 0 CAADHN C[C@H](CNC(=O)c1cnnn1C)NCCS(C)(=O)=O ZINC001437126933 891163972 /nfs/dbraw/zinc/16/39/72/891163972.db2.gz PPRHTSCZNUGDSF-MRVPVSSYSA-N 0 3 289.361 -1.432 20 0 CAADHN C[C@@H](CNC(=O)c1cnnn1C)NCCS(C)(=O)=O ZINC001437126934 891164273 /nfs/dbraw/zinc/16/42/73/891164273.db2.gz PPRHTSCZNUGDSF-QMMMGPOBSA-N 0 3 289.361 -1.432 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1nnn(C(C)(C)C)n1 ZINC001437140928 891164753 /nfs/dbraw/zinc/16/47/53/891164753.db2.gz ZELFGMMIYYXSLI-MRVPVSSYSA-N 0 3 297.363 -1.118 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC ZINC001437149409 891164799 /nfs/dbraw/zinc/16/47/99/891164799.db2.gz FWIXAYATTUPOGC-HTQZYQBOSA-N 0 3 273.337 -1.856 20 0 CAADHN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)NCC(=O)N1CCC1 ZINC001437136620 891164812 /nfs/dbraw/zinc/16/48/12/891164812.db2.gz XBFUNMCLHAWWBZ-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCN1C[C@@H](C(=O)NC[C@H](C)NCC(N)=O)CC1=O ZINC001437152625 891164989 /nfs/dbraw/zinc/16/49/89/891164989.db2.gz JJBJZEXIXUVFOL-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](C)N[C@H]2CCNC2=O)C1 ZINC001437128895 891165056 /nfs/dbraw/zinc/16/50/56/891165056.db2.gz ZJKJZBMMWNZLLE-KWQFWETISA-N 0 3 282.344 -1.553 20 0 CAADHN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)NCC(=O)N1CCC1 ZINC001437136622 891165129 /nfs/dbraw/zinc/16/51/29/891165129.db2.gz XBFUNMCLHAWWBZ-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN COC1CC(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)C1 ZINC001437155718 891165160 /nfs/dbraw/zinc/16/51/60/891165160.db2.gz XQGXISCNSFTAPO-AFPNSQJFSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@@H](CNC(=O)CCn1ccnn1)N[C@H]1CCNC1=O ZINC001437119061 891165170 /nfs/dbraw/zinc/16/51/70/891165170.db2.gz JXTGPKQCKBUSDG-UWVGGRQHSA-N 0 3 280.332 -1.349 20 0 CAADHN CCN1C[C@H](C(=O)NC[C@@H](C)NCC(N)=O)CC1=O ZINC001437152626 891165228 /nfs/dbraw/zinc/16/52/28/891165228.db2.gz JJBJZEXIXUVFOL-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)[C@H](O)C(C)C ZINC001437121467 891165239 /nfs/dbraw/zinc/16/52/39/891165239.db2.gz GEUGFUXUUITHJY-PSASIEDQSA-N 0 3 288.348 -1.447 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC ZINC001437149414 891165253 /nfs/dbraw/zinc/16/52/53/891165253.db2.gz FWIXAYATTUPOGC-YUMQZZPRSA-N 0 3 273.337 -1.856 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@H](C)NCC(N)=O ZINC001437139242 891165262 /nfs/dbraw/zinc/16/52/62/891165262.db2.gz QUJIGJWJLOPKGV-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@H](CNC(=O)CCn1ccnn1)NCC(=O)N1CCC1 ZINC001437122737 891165325 /nfs/dbraw/zinc/16/53/25/891165325.db2.gz QVAXSUNPSSOAEL-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)NCC(=O)N(C)C ZINC001437150835 891165358 /nfs/dbraw/zinc/16/53/58/891165358.db2.gz QGDGXRGKKBAMIY-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)[C@@H]2COC(=O)N2)n[nH]1 ZINC001437128743 891165641 /nfs/dbraw/zinc/16/56/41/891165641.db2.gz UTDYSTHFQVBEFJ-XPUUQOCRSA-N 0 3 282.304 -1.184 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001437156916 891165656 /nfs/dbraw/zinc/16/56/56/891165656.db2.gz OTCVTTCPQYPYHA-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN C[C@@H](CNC(=O)CCn1ccnn1)N[C@@H]1CCNC1=O ZINC001437119063 891165727 /nfs/dbraw/zinc/16/57/27/891165727.db2.gz JXTGPKQCKBUSDG-VHSXEESVSA-N 0 3 280.332 -1.349 20 0 CAADHN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N[C@@H](C)C(N)=O ZINC001437145821 891166107 /nfs/dbraw/zinc/16/61/07/891166107.db2.gz BFXZPCFXXYGQIQ-IUCAKERBSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N[C@H](C)C(N)=O ZINC001437145825 891166153 /nfs/dbraw/zinc/16/61/53/891166153.db2.gz BFXZPCFXXYGQIQ-RKDXNWHRSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](C)N[C@@H]2CCNC2=O)C1 ZINC001437128872 891166324 /nfs/dbraw/zinc/16/63/24/891166324.db2.gz ZJKJZBMMWNZLLE-GZMMTYOYSA-N 0 3 282.344 -1.553 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCc1cnn(C)n1 ZINC001437214459 891167101 /nfs/dbraw/zinc/16/71/01/891167101.db2.gz VZABQBZHXCZVMM-VHSXEESVSA-N 0 3 296.375 -1.024 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCc2nnn(C)c2C1)NCC(N)=O ZINC001437203904 891167119 /nfs/dbraw/zinc/16/71/19/891167119.db2.gz TVYYJJXTALFZEF-RKDXNWHRSA-N 0 3 294.359 -1.500 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCN(C)C(=O)C1)NCC(N)=O ZINC001437165452 891167182 /nfs/dbraw/zinc/16/71/82/891167182.db2.gz PYRLTSLIHWCCQB-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@H](C)NCC(N)=O ZINC001437203178 891167250 /nfs/dbraw/zinc/16/72/50/891167250.db2.gz NXSGDICIZDYAJX-NKWVEPMBSA-N 0 3 280.350 -2.496 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(=O)NC(N)=O ZINC001437182257 891167466 /nfs/dbraw/zinc/16/74/66/891167466.db2.gz BDWWHHACQGVHKF-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN CO[C@@H](C(=O)NC[C@H](C)NCC(=O)NC(N)=O)C(C)C ZINC001437206592 891167496 /nfs/dbraw/zinc/16/74/96/891167496.db2.gz XVQXNSGQFRIGMV-WCBMZHEXSA-N 0 3 288.348 -1.053 20 0 CAADHN C[C@@H](CNC(=O)COCc1cc[nH]c(=O)c1)NCC(N)=O ZINC001437164312 891167801 /nfs/dbraw/zinc/16/78/01/891167801.db2.gz DJRUHGUQFHJASH-VIFPVBQESA-N 0 3 296.327 -1.117 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001437192348 891167956 /nfs/dbraw/zinc/16/79/56/891167956.db2.gz CXPKRZMXLHBYGB-BDAKNGLRSA-N 0 3 285.348 -1.712 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)NCc1cncn1C ZINC001437189685 891168187 /nfs/dbraw/zinc/16/81/87/891168187.db2.gz TUDJQAXWNCVTNF-MRVPVSSYSA-N 0 3 278.320 -1.148 20 0 CAADHN CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)NCC(N)=O)C1 ZINC001437158468 891168389 /nfs/dbraw/zinc/16/83/89/891168389.db2.gz DNEWSHJLMSNPNH-ONGXEEELSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)NCC(=O)N1CCC1 ZINC001437170183 891168572 /nfs/dbraw/zinc/16/85/72/891168572.db2.gz WSYQYQPPIZLXJA-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC2N=NC(=O)N2C1)NCC(N)=O ZINC001437159208 891168602 /nfs/dbraw/zinc/16/86/02/891168602.db2.gz DUEDKLCPAROUOX-JGVFFNPUSA-N 0 3 296.331 -1.874 20 0 CAADHN COCC(C)(C)C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001437163888 891168656 /nfs/dbraw/zinc/16/86/56/891168656.db2.gz GVGQMIFWHKFOQN-MRVPVSSYSA-N 0 3 288.348 -1.052 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1ccnc2n[nH]nc21 ZINC001437168591 891168834 /nfs/dbraw/zinc/16/88/34/891168834.db2.gz MHHYNXREBMXIMW-ZETCQYMHSA-N 0 3 291.315 -1.193 20 0 CAADHN Cc1nc(C(=O)NC[C@H](C)NCC(N)=O)c(=O)[nH]c1C ZINC001437174358 891169044 /nfs/dbraw/zinc/16/90/44/891169044.db2.gz SCRDWTWTEFSAQU-LURJTMIESA-N 0 3 281.316 -1.008 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)Cn1ccc(C)cc1=O ZINC001437210877 891169146 /nfs/dbraw/zinc/16/91/46/891169146.db2.gz LDMZAYAAHSHQFW-NSHDSACASA-N 0 3 294.355 -1.003 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001437192353 891169217 /nfs/dbraw/zinc/16/92/17/891169217.db2.gz CXPKRZMXLHBYGB-IUCAKERBSA-N 0 3 285.348 -1.712 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CN(C)C(=O)N1)NCC(=O)N(C)C ZINC001437188630 891169362 /nfs/dbraw/zinc/16/93/62/891169362.db2.gz PZUHUAOCMQJYMV-RKDXNWHRSA-N 0 3 285.348 -1.808 20 0 CAADHN Cc1cc(C)n(CC(=O)NC[C@@H](C)NCC(N)=O)c(=O)n1 ZINC001437224921 891170414 /nfs/dbraw/zinc/17/04/14/891170414.db2.gz VLEOBWZRDJYUFZ-SECBINFHSA-N 0 3 295.343 -1.560 20 0 CAADHN Cc1cnoc1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001437289862 891170902 /nfs/dbraw/zinc/17/09/02/891170902.db2.gz ZIWDZFICDRIDJG-QMMMGPOBSA-N 0 3 295.299 -1.018 20 0 CAADHN CC(=O)N1CCC(C(=O)NC[C@@H](C)NCC(N)=O)CC1 ZINC001437254996 891170913 /nfs/dbraw/zinc/17/09/13/891170913.db2.gz ZKEWGWRCEYCVFA-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCCN1C(C)=O ZINC001437267983 891170932 /nfs/dbraw/zinc/17/09/32/891170932.db2.gz VXCSJBHFHTUXMZ-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccc(C(N)=O)nc1 ZINC001437268914 891171162 /nfs/dbraw/zinc/17/11/62/891171162.db2.gz FMCSRNABWXGXBP-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN CC(=O)N1CCC(C(=O)NC[C@H](C)NCC(N)=O)CC1 ZINC001437254998 891171309 /nfs/dbraw/zinc/17/13/09/891171309.db2.gz ZKEWGWRCEYCVFA-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)c1ccccc1)NCC(N)=O ZINC001437239808 891171414 /nfs/dbraw/zinc/17/14/14/891171414.db2.gz AIZSMYPFEODFGP-SNVBAGLBSA-N 0 3 292.339 -1.004 20 0 CAADHN C[C@H](CNC(=O)Cc1cncn1C)N[C@H]1CCNC1=O ZINC001437235863 891171437 /nfs/dbraw/zinc/17/14/37/891171437.db2.gz KNUVNBJSBCFJAR-KOLCDFICSA-N 0 3 279.344 -1.055 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001437228964 891171557 /nfs/dbraw/zinc/17/15/57/891171557.db2.gz WVYVKDQKAUBFBU-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)NCC(N)=O ZINC001437248111 891171771 /nfs/dbraw/zinc/17/17/71/891171771.db2.gz NDKQSAJGMYZYGO-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CNC(=O)Cn1cncn1)NCC(=O)N(C)C1CC1 ZINC001437249666 891171862 /nfs/dbraw/zinc/17/18/62/891171862.db2.gz RSRYISGEUMAROB-JTQLQIEISA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CNC(=O)Cn1ccccc1=O)N[C@@H]1CCNC1=O ZINC001437241585 891171929 /nfs/dbraw/zinc/17/19/29/891171929.db2.gz CCBAMOFFIMDKPF-GHMZBOCLSA-N 0 3 292.339 -1.169 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCC(=O)N(C)C ZINC001437271405 891171969 /nfs/dbraw/zinc/17/19/69/891171969.db2.gz KECNAFBDJWKLGY-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001437310413 891173406 /nfs/dbraw/zinc/17/34/06/891173406.db2.gz NJVGPSBJBSQMFP-DTWKUNHWSA-N 0 3 280.332 -1.009 20 0 CAADHN COCC(=O)NCCN(C)C[C@H](O)Cn1cccn1 ZINC001437429479 891176476 /nfs/dbraw/zinc/17/64/76/891176476.db2.gz HEHAMDOPEGLUDD-NSHDSACASA-N 0 3 270.333 -1.062 20 0 CAADHN CCNC(=O)C[NH2+][C@H](C)CCNC(=O)Cc1nnc[n-]1 ZINC001437414235 891177335 /nfs/dbraw/zinc/17/73/35/891177335.db2.gz PACPCHYBLKJUJK-SECBINFHSA-N 0 3 282.348 -1.032 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1Cc2cncn2C(=O)N1 ZINC001437499463 891180128 /nfs/dbraw/zinc/18/01/28/891180128.db2.gz OFHHYTPXVBGCBR-JTQLQIEISA-N 0 3 281.316 -1.594 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001437478297 891180789 /nfs/dbraw/zinc/18/07/89/891180789.db2.gz AIIMGGAUYGMJHA-GHMZBOCLSA-N 0 3 287.360 -1.432 20 0 CAADHN COC[C@@H](C)N(C)CCNC(=O)Cn1ncn(C)c1=O ZINC001437492845 891181677 /nfs/dbraw/zinc/18/16/77/891181677.db2.gz ZILSGBGEWPGSHI-SNVBAGLBSA-N 0 3 285.348 -1.335 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC001437478334 891182114 /nfs/dbraw/zinc/18/21/14/891182114.db2.gz AIIMGGAUYGMJHA-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN COC[C@@H](C)N(C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001437565816 891183213 /nfs/dbraw/zinc/18/32/13/891183213.db2.gz XQOKMSDBWXPMAD-NXEZZACHSA-N 0 3 293.389 -1.239 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN(C)[C@H](C)COC ZINC001437560847 891183409 /nfs/dbraw/zinc/18/34/09/891183409.db2.gz DVCUYVXWWSFJEQ-SECBINFHSA-N 0 3 281.378 -1.382 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001437570553 891183690 /nfs/dbraw/zinc/18/36/90/891183690.db2.gz QVIUFMNKIJDTDG-QMMMGPOBSA-N 0 3 284.320 -2.194 20 0 CAADHN CN(CCO)CCNC(=O)[C@H]1CCCCN1C(N)=O ZINC001437542363 891184111 /nfs/dbraw/zinc/18/41/11/891184111.db2.gz OXFMCIBZZGNBHY-SNVBAGLBSA-N 0 3 272.349 -1.040 20 0 CAADHN COC[C@@H](C)N(C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001437565821 891185300 /nfs/dbraw/zinc/18/53/00/891185300.db2.gz XQOKMSDBWXPMAD-ZJUUUORDSA-N 0 3 293.389 -1.239 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001437542362 891185374 /nfs/dbraw/zinc/18/53/74/891185374.db2.gz OXFMCIBZZGNBHY-JTQLQIEISA-N 0 3 272.349 -1.040 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001437520757 891185427 /nfs/dbraw/zinc/18/54/27/891185427.db2.gz OANCBIGECHJBBN-IUCAKERBSA-N 0 3 281.378 -1.647 20 0 CAADHN COC[C@H](C)N(C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001437565819 891185497 /nfs/dbraw/zinc/18/54/97/891185497.db2.gz XQOKMSDBWXPMAD-VHSXEESVSA-N 0 3 293.389 -1.239 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H]1CCCN1CCCO ZINC001437702659 891187866 /nfs/dbraw/zinc/18/78/66/891187866.db2.gz OPUNWUGJUIEVSL-JTQLQIEISA-N 0 3 293.389 -1.501 20 0 CAADHN CCN(CCNC(=O)Cc1nnc[nH]1)[C@@H](C)C(=O)NC ZINC001437647194 891187891 /nfs/dbraw/zinc/18/78/91/891187891.db2.gz SWIFAQZDMSEZIB-VIFPVBQESA-N 0 3 282.348 -1.080 20 0 CAADHN O=C(CN1CCOCC1)NC[C@@H]1CCCN1CCO ZINC001437667044 891189710 /nfs/dbraw/zinc/18/97/10/891189710.db2.gz SIFMWPKUTYISGS-LBPRGKRZSA-N 0 3 271.361 -1.109 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CO[C@@H]1CCOC1 ZINC001437831833 891190881 /nfs/dbraw/zinc/19/08/81/891190881.db2.gz FPDOVUUSEGKAHG-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CCN1CC[C@@H](NCCN(C)C(=O)[C@H]2CNC(=O)N2)C1=O ZINC001437829812 891190979 /nfs/dbraw/zinc/19/09/79/891190979.db2.gz KOKAHXUCRPZWSO-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1cnnn1)C(=O)N(C)C ZINC001437823568 891191098 /nfs/dbraw/zinc/19/10/98/891191098.db2.gz KSFHOZKZSPKUFD-SECBINFHSA-N 0 3 283.336 -1.802 20 0 CAADHN CCNC(=O)CCC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001437828116 891191118 /nfs/dbraw/zinc/19/11/18/891191118.db2.gz LOCPCPMHSJNURJ-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)CCN[C@H](C)C(N)=O ZINC001437833758 891191257 /nfs/dbraw/zinc/19/12/57/891191257.db2.gz KUKAXGMUUQAHBV-MRVPVSSYSA-N 0 3 294.377 -2.153 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)CO[C@H]1CCOC1 ZINC001437831889 891191343 /nfs/dbraw/zinc/19/13/43/891191343.db2.gz FPDOVUUSEGKAHG-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN Cc1cc(C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O)[nH]n1 ZINC001437833203 891191388 /nfs/dbraw/zinc/19/13/88/891191388.db2.gz ZPRRKBIBRYMCTP-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN Cc1cc(C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O)n[nH]1 ZINC001437833203 891191399 /nfs/dbraw/zinc/19/13/99/891191399.db2.gz ZPRRKBIBRYMCTP-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001437828611 891191493 /nfs/dbraw/zinc/19/14/93/891191493.db2.gz BKYOYPVTMMXEOT-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CO[C@@H]1CCOC1)C(N)=O ZINC001437830548 891191635 /nfs/dbraw/zinc/19/16/35/891191635.db2.gz ASWWOVIOCDGDAP-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001437827491 891191905 /nfs/dbraw/zinc/19/19/05/891191905.db2.gz IEEGKWZUPMSDEG-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)c1cnnn1C ZINC001437830774 891192146 /nfs/dbraw/zinc/19/21/46/891192146.db2.gz BSVPFIXLAUWEBX-VIFPVBQESA-N 0 3 280.332 -1.293 20 0 CAADHN O=C(Cc1nnc[nH]1)NCCN(C1CC1)[C@@H]1CCNC1=O ZINC001437812575 891192240 /nfs/dbraw/zinc/19/22/40/891192240.db2.gz BLHMELODECRCON-SNVBAGLBSA-N 0 3 292.343 -1.184 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1CCC(=O)NC1 ZINC001437828607 891192468 /nfs/dbraw/zinc/19/24/68/891192468.db2.gz BKYOYPVTMMXEOT-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCCC[C@@H](NCCN(C)C(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001437833197 891192513 /nfs/dbraw/zinc/19/25/13/891192513.db2.gz YOFLFRJQLFSRLY-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)[C@H]2CNC(=O)N2)C1=O ZINC001437829815 891192568 /nfs/dbraw/zinc/19/25/68/891192568.db2.gz KOKAHXUCRPZWSO-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001437829813 891192774 /nfs/dbraw/zinc/19/27/74/891192774.db2.gz KOKAHXUCRPZWSO-UWVGGRQHSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cn[nH]c1)C(=O)NC(N)=O ZINC001437828039 891193074 /nfs/dbraw/zinc/19/30/74/891193074.db2.gz KNPXSMDUUXGLSK-ZETCQYMHSA-N 0 3 282.304 -1.345 20 0 CAADHN CCCC[C@H](NCCN(C)C(=O)[C@@H]1CNC(=O)N1)C(N)=O ZINC001437833192 891193090 /nfs/dbraw/zinc/19/30/90/891193090.db2.gz YOFLFRJQLFSRLY-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CCNC(=O)NC)C(N)=O ZINC001437830510 891193141 /nfs/dbraw/zinc/19/31/41/891193141.db2.gz AOIKSFGNJKNTCY-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN NC(=O)c1nccnc1C(=O)NCCN(CCO)C1CC1 ZINC001437817924 891193373 /nfs/dbraw/zinc/19/33/73/891193373.db2.gz JRQQSMCDYUQFGV-UHFFFAOYSA-N 0 3 293.327 -1.238 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H](C)NC(N)=O)C(=O)NC1CC1 ZINC001437832492 891193707 /nfs/dbraw/zinc/19/37/07/891193707.db2.gz HOZFRJRGETYDDL-BDAKNGLRSA-N 0 3 299.375 -1.242 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001437822727 891193841 /nfs/dbraw/zinc/19/38/41/891193841.db2.gz JTHLHRVJDQHKMK-PSASIEDQSA-N 0 3 270.333 -1.553 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001437833760 891194158 /nfs/dbraw/zinc/19/41/58/891194158.db2.gz KUKAXGMUUQAHBV-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@H]1COC(=O)N1 ZINC001437834846 891195285 /nfs/dbraw/zinc/19/52/85/891195285.db2.gz OZEGPHXOQDKBTO-HTQZYQBOSA-N 0 3 272.305 -1.723 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)c1nc[nH]n1 ZINC001437841106 891195346 /nfs/dbraw/zinc/19/53/46/891195346.db2.gz IRFRQJPPWAOLIF-SSDOTTSWSA-N 0 3 297.319 -1.690 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1nc[n-]n1 ZINC001437841106 891195355 /nfs/dbraw/zinc/19/53/55/891195355.db2.gz IRFRQJPPWAOLIF-SSDOTTSWSA-N 0 3 297.319 -1.690 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001437860949 891195428 /nfs/dbraw/zinc/19/54/28/891195428.db2.gz WEBCUZHALGZVEL-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001437835346 891195463 /nfs/dbraw/zinc/19/54/63/891195463.db2.gz OZEGPHXOQDKBTO-YUMQZZPRSA-N 0 3 272.305 -1.723 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001437835341 891195490 /nfs/dbraw/zinc/19/54/90/891195490.db2.gz OZEGPHXOQDKBTO-SFYZADRCSA-N 0 3 272.305 -1.723 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cccnc1C(N)=O)C(N)=O ZINC001437845746 891195752 /nfs/dbraw/zinc/19/57/52/891195752.db2.gz MXVYXOKWHWCLBD-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001437853165 891195815 /nfs/dbraw/zinc/19/58/15/891195815.db2.gz DGXSOHWPAPLOKR-UWVGGRQHSA-N 0 3 299.375 -1.159 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCc1cn(C)nn1)C(N)=O ZINC001437859124 891196563 /nfs/dbraw/zinc/19/65/63/891196563.db2.gz PDPUBHKVYYSXSH-SECBINFHSA-N 0 3 282.348 -1.331 20 0 CAADHN C[C@H](NCCN(C)C(=O)CCc1cn(C)nn1)C(N)=O ZINC001437859125 891196155 /nfs/dbraw/zinc/19/61/55/891196155.db2.gz PDPUBHKVYYSXSH-VIFPVBQESA-N 0 3 282.348 -1.331 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001437852915 891196233 /nfs/dbraw/zinc/19/62/33/891196233.db2.gz XWOZMOVJWFSJIR-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)OC)NCC(=O)NC ZINC001438280144 891216164 /nfs/dbraw/zinc/21/61/64/891216164.db2.gz LDGAAXWLUFELHA-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](CC)NCC(=O)NC ZINC001438288990 891217089 /nfs/dbraw/zinc/21/70/89/891217089.db2.gz UDDTTXZZCJUREL-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCCCN1C(N)=O)C(N)=O ZINC001437835296 891196626 /nfs/dbraw/zinc/19/66/26/891196626.db2.gz DHJKVVSPGHSILM-NXEZZACHSA-N 0 3 299.375 -1.159 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCCCN1C(N)=O)C(N)=O ZINC001437835299 891196636 /nfs/dbraw/zinc/19/66/36/891196636.db2.gz DHJKVVSPGHSILM-VHSXEESVSA-N 0 3 299.375 -1.159 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001437965608 891196809 /nfs/dbraw/zinc/19/68/09/891196809.db2.gz MVPTXPNXSZTDPM-NEPJUHHUSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cnc2n[nH]nc2c1)C(N)=O ZINC001437836835 891196836 /nfs/dbraw/zinc/19/68/36/891196836.db2.gz AISIRLYKPJSSDD-ZETCQYMHSA-N 0 3 291.315 -1.112 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cccnc1C(N)=O)C(N)=O ZINC001437845752 891196893 /nfs/dbraw/zinc/19/68/93/891196893.db2.gz MXVYXOKWHWCLBD-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)c2nnn(C)n2)C1 ZINC001437944485 891197030 /nfs/dbraw/zinc/19/70/30/891197030.db2.gz HXNDOTBINGFEIB-SECBINFHSA-N 0 3 295.347 -1.602 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001437965616 891197109 /nfs/dbraw/zinc/19/71/09/891197109.db2.gz MVPTXPNXSZTDPM-VXGBXAGGSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCc2nncn2C1)C(N)=O ZINC001437842492 891197415 /nfs/dbraw/zinc/19/74/15/891197415.db2.gz IGVQUUGLXXRFJI-UWVGGRQHSA-N 0 3 294.359 -1.238 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001437834010 891197485 /nfs/dbraw/zinc/19/74/85/891197485.db2.gz DTRLENGXHONSOB-RKDXNWHRSA-N 0 3 285.348 -1.678 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)c1cnnn1C ZINC001437841399 891197810 /nfs/dbraw/zinc/19/78/10/891197810.db2.gz YUJVNNJKJPUOHA-VIFPVBQESA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cn(C)nn1)C(=O)NC(N)=O ZINC001437833958 891197910 /nfs/dbraw/zinc/19/79/10/891197910.db2.gz LUZMYYUTJKMSMV-ZETCQYMHSA-N 0 3 297.319 -1.940 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@H](O)C(C)C ZINC001438983134 891256761 /nfs/dbraw/zinc/25/67/61/891256761.db2.gz LPRAFFQYQWTWEV-GXSJLCMTSA-N 0 3 275.349 -1.794 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001438127617 891206536 /nfs/dbraw/zinc/20/65/36/891206536.db2.gz MODNFNLGFBDMJL-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN CCOCC(=O)NC[C@H](CC)NCC(=O)NC(N)=O ZINC001438274879 891211081 /nfs/dbraw/zinc/21/10/81/891211081.db2.gz NKCIWZXETIXMOM-QMMMGPOBSA-N 0 3 274.321 -1.298 20 0 CAADHN CC[C@@H](CNC(=O)C1CC1)NCC(=O)N1CCNC(=O)C1 ZINC001438275235 891212124 /nfs/dbraw/zinc/21/21/24/891212124.db2.gz BITFTCKKJRIRCD-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)Cn1cncn1 ZINC001438364568 891215328 /nfs/dbraw/zinc/21/53/28/891215328.db2.gz IHSWAJOWXFTCJR-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN C[C@](CNCC(N)=O)(NC(=O)CCNC(N)=O)C1CC1 ZINC001438427793 891215435 /nfs/dbraw/zinc/21/54/35/891215435.db2.gz CKKYXSYHYWRDKR-GFCCVEGCSA-N 0 3 285.348 -1.595 20 0 CAADHN CC[C@H](CNC(=O)c1ccc2nnnn2c1)NCC(N)=O ZINC001438322792 891215526 /nfs/dbraw/zinc/21/55/26/891215526.db2.gz AXKPPJXHDJUZQR-SECBINFHSA-N 0 3 291.315 -1.292 20 0 CAADHN CC[C@H](CNC(=O)C[C@H]1CCC(=O)NC1)NCC(N)=O ZINC001438314471 891215559 /nfs/dbraw/zinc/21/55/59/891215559.db2.gz VYJYXZXPNXPDRX-NXEZZACHSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CCCN(C(N)=O)C1)NCC(N)=O ZINC001438329241 891215665 /nfs/dbraw/zinc/21/56/65/891215665.db2.gz PZLJPEYZFKBGGO-VHSXEESVSA-N 0 3 299.375 -1.253 20 0 CAADHN CC[C@@H](CNC(=O)CN(C)S(C)(=O)=O)NCC(N)=O ZINC001438304503 891216601 /nfs/dbraw/zinc/21/66/01/891216601.db2.gz ULPXRQFKRDHLGM-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)CCn1ccnn1 ZINC001438459251 891216993 /nfs/dbraw/zinc/21/69/93/891216993.db2.gz WJAQURBPMHVPBP-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@H](CC(=O)N[C@@](C)(CNCC(N)=O)C1CC1)NC(N)=O ZINC001438415288 891217181 /nfs/dbraw/zinc/21/71/81/891217181.db2.gz PMFKBBDOBWZFQI-OQPBUACISA-N 0 3 299.375 -1.207 20 0 CAADHN CC[C@@H](CNC(=O)CCn1cncn1)NCC(=O)NC ZINC001438299815 891217326 /nfs/dbraw/zinc/21/73/26/891217326.db2.gz ZYUYXAIMPWRIDX-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN CC[C@H](CNC(=O)CCn1cncn1)NCC(=O)NC ZINC001438299823 891217518 /nfs/dbraw/zinc/21/75/18/891217518.db2.gz ZYUYXAIMPWRIDX-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN CC[C@H](CNC(=O)CN1CCNC(=O)C1)NCC(N)=O ZINC001438327569 891217548 /nfs/dbraw/zinc/21/75/48/891217548.db2.gz QVACOOUXVSSGEP-SECBINFHSA-N 0 3 285.348 -2.612 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)NCC(=O)NC ZINC001438340181 891217746 /nfs/dbraw/zinc/21/77/46/891217746.db2.gz JSUIZURLTZXARI-DTWKUNHWSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)CCNC(N)=O)C1CC1 ZINC001438427795 891218068 /nfs/dbraw/zinc/21/80/68/891218068.db2.gz CKKYXSYHYWRDKR-LBPRGKRZSA-N 0 3 285.348 -1.595 20 0 CAADHN C[C@@H](CC(=O)N[C@](C)(CNCC(N)=O)C1CC1)NC(N)=O ZINC001438415287 891218273 /nfs/dbraw/zinc/21/82/73/891218273.db2.gz PMFKBBDOBWZFQI-ISVAXAHUSA-N 0 3 299.375 -1.207 20 0 CAADHN CC[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)NCC(=O)NC ZINC001438335546 891218326 /nfs/dbraw/zinc/21/83/26/891218326.db2.gz URJYBINKFWXGCP-MRVPVSSYSA-N 0 3 283.332 -1.030 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@](C)(CNCC(N)=O)C2CC2)C1 ZINC001438415666 891218464 /nfs/dbraw/zinc/21/84/64/891218464.db2.gz PHFAGGXGTFCXTF-CQSZACIVSA-N 0 3 296.371 -1.176 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)NCC(=O)N(C)CC ZINC001438303115 891218665 /nfs/dbraw/zinc/21/86/65/891218665.db2.gz LGZLXCWQOMVKPY-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CC[C@H](CNC(=O)c1cc(=O)n(C)cn1)N[C@H](C)C(N)=O ZINC001438308897 891218698 /nfs/dbraw/zinc/21/86/98/891218698.db2.gz GGGIFPVIGNPJHK-RKDXNWHRSA-N 0 3 295.343 -1.248 20 0 CAADHN CCC(=O)N1CCC[C@@H]1CNCC(=O)N1CCNC(=O)C1 ZINC001438452803 891218917 /nfs/dbraw/zinc/21/89/17/891218917.db2.gz NWJDRHRXFGNULX-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1COCCN1CC)NCC(N)=O ZINC001438324449 891219095 /nfs/dbraw/zinc/21/90/95/891219095.db2.gz JZSWLMCIEPTABE-WDEREUQCSA-N 0 3 286.376 -1.323 20 0 CAADHN CC[C@@H](CNC(=O)c1ccc(=O)n(C)c1)NCC(N)=O ZINC001438329942 891219227 /nfs/dbraw/zinc/21/92/27/891219227.db2.gz QZDLOMIPLVUXDD-JTQLQIEISA-N 0 3 280.328 -1.031 20 0 CAADHN C[C@@H](CNCc1ccn(C)n1)CNC(=O)[C@H]1CNC(=O)N1 ZINC001438519901 891220841 /nfs/dbraw/zinc/22/08/41/891220841.db2.gz LDNHKPXPEHKCTB-GXSJLCMTSA-N 0 3 294.359 -1.057 20 0 CAADHN C[C@@H](CNCc1ccn(C)n1)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001438519917 891222695 /nfs/dbraw/zinc/22/26/95/891222695.db2.gz LDNHKPXPEHKCTB-ONGXEEELSA-N 0 3 294.359 -1.057 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(N)=O ZINC001438469672 891222833 /nfs/dbraw/zinc/22/28/33/891222833.db2.gz QFEVPPBSBZQCFH-ZJUUUORDSA-N 0 3 297.359 -1.405 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CNC(=O)OC ZINC001438636146 891225736 /nfs/dbraw/zinc/22/57/36/891225736.db2.gz JUOPKZWCJFXTJH-RKDXNWHRSA-N 0 3 288.348 -1.087 20 0 CAADHN COCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001438617399 891226078 /nfs/dbraw/zinc/22/60/78/891226078.db2.gz AJVBSRNFOKBLDO-HTQZYQBOSA-N 0 3 274.321 -1.347 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001438631283 891226798 /nfs/dbraw/zinc/22/67/98/891226798.db2.gz DEYKYYJXLMFDQK-RKDXNWHRSA-N 0 3 270.333 -1.553 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CCC(=O)N2)CCCC1 ZINC001438611276 891227458 /nfs/dbraw/zinc/22/74/58/891227458.db2.gz DIOKJPVUZHANRC-VIFPVBQESA-N 0 3 282.344 -1.231 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)c1cnn(C)n1 ZINC001438700538 891227884 /nfs/dbraw/zinc/22/78/84/891227884.db2.gz KBTWVSGKKRXQDL-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN Cc1cc(C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O)[nH]n1 ZINC001438645305 891227848 /nfs/dbraw/zinc/22/78/48/891227848.db2.gz YSLYVXSXCMCIJW-QMMMGPOBSA-N 0 3 296.331 -1.037 20 0 CAADHN CC[C@@H](NC[C@H](C)N(C)C(=O)CNC(=O)NC)C(N)=O ZINC001438663845 891228053 /nfs/dbraw/zinc/22/80/53/891228053.db2.gz VMOSICOGBBHQDI-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001438681776 891228133 /nfs/dbraw/zinc/22/81/33/891228133.db2.gz LZUWZTLLXWSPGI-BDAKNGLRSA-N 0 3 295.343 -1.046 20 0 CAADHN CNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001438771873 891228229 /nfs/dbraw/zinc/22/82/29/891228229.db2.gz MACJBZUVLLMGDC-RKDXNWHRSA-N 0 3 280.332 -1.009 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)[C@H](C)CN[C@H](C)C(N)=O ZINC001438715160 891228466 /nfs/dbraw/zinc/22/84/66/891228466.db2.gz PPTUWWYNSSJYMU-RKDXNWHRSA-N 0 3 293.389 -1.269 20 0 CAADHN CC(C)[C@H](CNC(=O)CCS(C)(=O)=O)NCC(N)=O ZINC001438804978 891228588 /nfs/dbraw/zinc/22/85/88/891228588.db2.gz FVBFVNQNZBEATK-VIFPVBQESA-N 0 3 293.389 -1.363 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1cn(C)nn1 ZINC001438655223 891228809 /nfs/dbraw/zinc/22/88/09/891228809.db2.gz UUZMPANWRIJJHV-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN Cc1nc(CNC[C@@H](C)N(C)C(=O)[C@H]2CNC(=O)N2)n[nH]1 ZINC001438677771 891229196 /nfs/dbraw/zinc/22/91/96/891229196.db2.gz WYQYJPSKEQSZKJ-VXNVDRBHSA-N 0 3 295.347 -1.269 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001438643308 891229447 /nfs/dbraw/zinc/22/94/47/891229447.db2.gz KVOIEQFGHSMUTC-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H](C)CC(N)=O)C(C)C ZINC001438812593 891229480 /nfs/dbraw/zinc/22/94/80/891229480.db2.gz NLWHJBPBTVITBN-NXEZZACHSA-N 0 3 286.376 -1.026 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001438681799 891229670 /nfs/dbraw/zinc/22/96/70/891229670.db2.gz LZUWZTLLXWSPGI-RKDXNWHRSA-N 0 3 295.343 -1.046 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001438643311 891229852 /nfs/dbraw/zinc/22/98/52/891229852.db2.gz KVOIEQFGHSMUTC-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](NCC(=O)NC)C(C)C ZINC001438790050 891230351 /nfs/dbraw/zinc/23/03/51/891230351.db2.gz LKFWRZHSYAYKHY-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN Cc1n[nH]cc1C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O ZINC001438682697 891230389 /nfs/dbraw/zinc/23/03/89/891230389.db2.gz RYVXVKONCZEIKN-SSDOTTSWSA-N 0 3 296.331 -1.037 20 0 CAADHN C[C@@H](NC[C@@H](C)N(C)C(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001438671801 891230894 /nfs/dbraw/zinc/23/08/94/891230894.db2.gz XLKIHACUFNHUMQ-RKDXNWHRSA-N 0 3 298.347 -2.108 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCNC(N)=O ZINC001438728606 891231185 /nfs/dbraw/zinc/23/11/85/891231185.db2.gz ZPYMFKRBSCTCPN-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CCNC(N)=O ZINC001438713886 891231327 /nfs/dbraw/zinc/23/13/27/891231327.db2.gz AIGJTOSJALDKRH-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001438667947 891231363 /nfs/dbraw/zinc/23/13/63/891231363.db2.gz ZZDOQSZGQJFSSZ-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001438674274 891231656 /nfs/dbraw/zinc/23/16/56/891231656.db2.gz OMMKHFUVOXAGGF-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)NCC(N)=O ZINC001438803851 891231705 /nfs/dbraw/zinc/23/17/05/891231705.db2.gz PCWJPYIBCIETIV-ZJUUUORDSA-N 0 3 284.360 -1.272 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@H](C)CN[C@H]1CCCNC1=O ZINC001438654639 891231859 /nfs/dbraw/zinc/23/18/59/891231859.db2.gz ANNITZUEXZNQCG-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1CNC(=O)N1 ZINC001438674279 891232003 /nfs/dbraw/zinc/23/20/03/891232003.db2.gz OMMKHFUVOXAGGF-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@H](C)CC(N)=O)C(C)C ZINC001438812600 891232302 /nfs/dbraw/zinc/23/23/02/891232302.db2.gz NLWHJBPBTVITBN-VHSXEESVSA-N 0 3 286.376 -1.026 20 0 CAADHN COCCN(C)CCN(C)C(=O)CN1CCOCC1=O ZINC001438880903 891234608 /nfs/dbraw/zinc/23/46/08/891234608.db2.gz CRCHTJJHMBQSJZ-UHFFFAOYSA-N 0 3 287.360 -1.118 20 0 CAADHN CN(CCN(C)C(=O)[C@@H]1CNC(=O)N1)CCn1cccn1 ZINC001438907356 891236166 /nfs/dbraw/zinc/23/61/66/891236166.db2.gz VPBPOJBORIGOAV-NSHDSACASA-N 0 3 294.359 -1.045 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)[C@@H]1COCCO1 ZINC001438855246 891237932 /nfs/dbraw/zinc/23/79/32/891237932.db2.gz JABABGDXXURQNE-RYUDHWBXSA-N 0 3 290.360 -1.201 20 0 CAADHN CCOCC(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001438954643 891238670 /nfs/dbraw/zinc/23/86/70/891238670.db2.gz IXCPSNPZPDWVGA-NXEZZACHSA-N 0 3 273.333 -1.632 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001438951357 891239057 /nfs/dbraw/zinc/23/90/57/891239057.db2.gz BBPIUELHOONPBZ-SECBINFHSA-N 0 3 287.316 -1.971 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1c(C)noc1C ZINC001438956688 891239550 /nfs/dbraw/zinc/23/95/50/891239550.db2.gz GUTJCMQSUQFZSK-VIFPVBQESA-N 0 3 284.316 -1.282 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCO1)C1CC1 ZINC001438957101 891239631 /nfs/dbraw/zinc/23/96/31/891239631.db2.gz OAWULMLLFFKCSS-NWDGAFQWSA-N 0 3 299.371 -1.147 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C(C)(F)F)C(=O)NC(N)=O ZINC001438954442 891239975 /nfs/dbraw/zinc/23/99/75/891239975.db2.gz JXPLNWRRPXMAEN-NTSWFWBYSA-N 0 3 296.274 -1.708 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCc1cnc(C)nc1 ZINC001438952608 891240014 /nfs/dbraw/zinc/24/00/14/891240014.db2.gz HLQMGJZIZOASNU-LBPRGKRZSA-N 0 3 295.343 -1.512 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cccnc1 ZINC001438957176 891240238 /nfs/dbraw/zinc/24/02/38/891240238.db2.gz OCOTWNSTKYMGRC-MNOVXSKESA-N 0 3 278.312 -1.350 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C1=COCCO1 ZINC001438952878 891240455 /nfs/dbraw/zinc/24/04/55/891240455.db2.gz FNOUKTYMYOFMPV-RKDXNWHRSA-N 0 3 287.316 -1.924 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC1CC1 ZINC001438956859 891240656 /nfs/dbraw/zinc/24/06/56/891240656.db2.gz FDSYSUGDOYVWND-WPRPVWTQSA-N 0 3 273.333 -1.633 20 0 CAADHN CCOCC(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001438954725 891240954 /nfs/dbraw/zinc/24/09/54/891240954.db2.gz IXCPSNPZPDWVGA-VHSXEESVSA-N 0 3 273.333 -1.632 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)CCn1cnnn1 ZINC001438928883 891241298 /nfs/dbraw/zinc/24/12/98/891241298.db2.gz MKIIUSDYWBZWKJ-SNVBAGLBSA-N 0 3 270.337 -1.166 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1CC1)C(=O)NC(N)=O ZINC001438956666 891241579 /nfs/dbraw/zinc/24/15/79/891241579.db2.gz GIJZVIJLSSEXCW-SVRRBLITSA-N 0 3 272.305 -1.954 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@H](C)C(=O)NC1CC1 ZINC001438956848 891241684 /nfs/dbraw/zinc/24/16/84/891241684.db2.gz FDSYSUGDOYVWND-PSASIEDQSA-N 0 3 273.333 -1.633 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1CC1)C(=O)NC(N)=O ZINC001438956664 891242406 /nfs/dbraw/zinc/24/24/06/891242406.db2.gz GIJZVIJLSSEXCW-POYBYMJQSA-N 0 3 272.305 -1.954 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CNCC(N)=O)s1 ZINC001438964263 891243780 /nfs/dbraw/zinc/24/37/80/891243780.db2.gz DLNDWIBXSOJDRR-ZETCQYMHSA-N 0 3 272.330 -1.383 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)C2=COCCO2)C1=O ZINC001438961529 891244114 /nfs/dbraw/zinc/24/41/14/891244114.db2.gz YGPMODSBEGOXJG-VHSXEESVSA-N 0 3 299.327 -1.828 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cnns1 ZINC001438962970 891244272 /nfs/dbraw/zinc/24/42/72/891244272.db2.gz BNGSGHLGZUKIRQ-RQJHMYQMSA-N 0 3 287.345 -1.647 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CNC(=O)C(F)F)C1=O ZINC001438960446 891244689 /nfs/dbraw/zinc/24/46/89/891244689.db2.gz LVTFXVPQGQJTCF-JGVFFNPUSA-N 0 3 279.287 -1.061 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnns1 ZINC001438962967 891245124 /nfs/dbraw/zinc/24/51/24/891245124.db2.gz BNGSGHLGZUKIRQ-BQBZGAKWSA-N 0 3 287.345 -1.647 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)Cc2cc[nH]n2)n[nH]1 ZINC001438966800 891245279 /nfs/dbraw/zinc/24/52/79/891245279.db2.gz HZSYSURSNBURDX-SNVBAGLBSA-N 0 3 293.331 -1.354 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)C2=COCCO2)C1=O ZINC001438961528 891245768 /nfs/dbraw/zinc/24/57/68/891245768.db2.gz YGPMODSBEGOXJG-UWVGGRQHSA-N 0 3 299.327 -1.828 20 0 CAADHN CCCCC(=O)NC[C@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001438966973 891245845 /nfs/dbraw/zinc/24/58/45/891245845.db2.gz FAIZUKFOXWHQLP-RKDXNWHRSA-N 0 3 288.348 -1.173 20 0 CAADHN CC(=O)NC[C@@H](O)CNCC(=O)NC(=O)NC(C)(C)C ZINC001438968479 891246065 /nfs/dbraw/zinc/24/60/65/891246065.db2.gz YQZWNUTUYJARJP-VIFPVBQESA-N 0 3 288.348 -1.303 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cn1cc(C)cn1 ZINC001438965991 891246131 /nfs/dbraw/zinc/24/61/31/891246131.db2.gz GFCILKHSNFAAGH-JTQLQIEISA-N 0 3 283.332 -1.996 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)C1CCOCC1 ZINC001438960650 891246174 /nfs/dbraw/zinc/24/61/74/891246174.db2.gz MIEMYBXOICOZGX-NSHDSACASA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cnccn1)C(=O)N(C)C ZINC001438959731 891246392 /nfs/dbraw/zinc/24/63/92/891246392.db2.gz UESREZZKJCMYHP-ZJUUUORDSA-N 0 3 295.343 -1.366 20 0 CAADHN Cn1cccc1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001438967219 891246670 /nfs/dbraw/zinc/24/66/70/891246670.db2.gz GEAACKDDJMYVRS-NSHDSACASA-N 0 3 294.355 -1.016 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)C2=COCCO2)C1=O ZINC001438961527 891246790 /nfs/dbraw/zinc/24/67/90/891246790.db2.gz YGPMODSBEGOXJG-NXEZZACHSA-N 0 3 299.327 -1.828 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)C2=COCCO2)C1=O ZINC001438961530 891247053 /nfs/dbraw/zinc/24/70/53/891247053.db2.gz YGPMODSBEGOXJG-ZJUUUORDSA-N 0 3 299.327 -1.828 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)n1cccn1 ZINC001438974182 891248016 /nfs/dbraw/zinc/24/80/16/891248016.db2.gz LVWDKDLNGKGNQI-VHSXEESVSA-N 0 3 283.332 -1.743 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H](C)OC ZINC001438971502 891248205 /nfs/dbraw/zinc/24/82/05/891248205.db2.gz OEIJRPNNGBEKKA-VHSXEESVSA-N 0 3 275.349 -1.434 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)SC ZINC001438979289 891248917 /nfs/dbraw/zinc/24/89/17/891248917.db2.gz WRJDDGSRDWUIQW-BDAKNGLRSA-N 0 3 277.390 -1.059 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1nnn(C)c1C ZINC001438972577 891249051 /nfs/dbraw/zinc/24/90/51/891249051.db2.gz QLBRWYFQNKIIGL-VIFPVBQESA-N 0 3 298.347 -2.060 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnns1)C(N)=O ZINC001438972812 891249176 /nfs/dbraw/zinc/24/91/76/891249176.db2.gz RPHRJCGJAHDQRS-RNFRBKRXSA-N 0 3 287.345 -1.518 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnsn1 ZINC001438971832 891249241 /nfs/dbraw/zinc/24/92/41/891249241.db2.gz HYCOVLNSIMSPST-RNFRBKRXSA-N 0 3 287.345 -1.647 20 0 CAADHN Cc1ncncc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001438972399 891249773 /nfs/dbraw/zinc/24/97/73/891249773.db2.gz QDNSBZBGFHITRL-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCCO1 ZINC001438968917 891250622 /nfs/dbraw/zinc/25/06/22/891250622.db2.gz FGUBSPRXDPMQKH-MNOVXSKESA-N 0 3 287.360 -1.242 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cncs1 ZINC001438972784 891250805 /nfs/dbraw/zinc/25/08/05/891250805.db2.gz RMQZBADAVCBGOX-SSDOTTSWSA-N 0 3 272.330 -1.431 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1cc[nH]n1)C(=O)N(C)C ZINC001438972612 891250832 /nfs/dbraw/zinc/25/08/32/891250832.db2.gz QRGXQXRUHFWBSD-ONGXEEELSA-N 0 3 297.359 -1.504 20 0 CAADHN Cc1ccncc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001438973682 891250928 /nfs/dbraw/zinc/25/09/28/891250928.db2.gz UXXLNEJZPANLOE-VHSXEESVSA-N 0 3 280.328 -1.056 20 0 CAADHN CC[C@@H](SC)C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001438974833 891251319 /nfs/dbraw/zinc/25/13/19/891251319.db2.gz AXZCRUQZPJGNAJ-DTWKUNHWSA-N 0 3 277.390 -1.059 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC)n1 ZINC001438979459 891251578 /nfs/dbraw/zinc/25/15/78/891251578.db2.gz GBZSBZCLNLPTSR-BDAKNGLRSA-N 0 3 298.347 -1.887 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cccn1C)C(N)=O ZINC001438976031 891251721 /nfs/dbraw/zinc/25/17/21/891251721.db2.gz WQFIJPGJUTVLBH-ZJUUUORDSA-N 0 3 282.344 -1.031 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnns1)C(N)=O ZINC001438972809 891252605 /nfs/dbraw/zinc/25/26/05/891252605.db2.gz RPHRJCGJAHDQRS-NKWVEPMBSA-N 0 3 287.345 -1.518 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cn[nH]c2)n[nH]1 ZINC001438973214 891252326 /nfs/dbraw/zinc/25/23/26/891252326.db2.gz KVNKYYYEDOVPBE-VIFPVBQESA-N 0 3 279.304 -1.283 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnnn1CC ZINC001438978260 891252419 /nfs/dbraw/zinc/25/24/19/891252419.db2.gz DDDWBOYTWWMLIS-VIFPVBQESA-N 0 3 298.347 -1.886 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cc(C)ncn1 ZINC001438976315 891252580 /nfs/dbraw/zinc/25/25/80/891252580.db2.gz FGCFCQMBEHXKHV-JTQLQIEISA-N 0 3 295.343 -1.399 20 0 CAADHN Cc1cccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001438970794 891252731 /nfs/dbraw/zinc/25/27/31/891252731.db2.gz LSHFIPVHGCUVIE-UWVGGRQHSA-N 0 3 280.328 -1.056 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)[nH]1 ZINC001438986437 891253133 /nfs/dbraw/zinc/25/31/33/891253133.db2.gz SHFZSAMDCOSWCM-JTQLQIEISA-N 0 3 295.343 -1.323 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CCn1ccnn1 ZINC001438979837 891253631 /nfs/dbraw/zinc/25/36/31/891253631.db2.gz KMICFNNFTLAFID-VHSXEESVSA-N 0 3 298.347 -2.131 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@H]1CCCOC1)NC1CC1 ZINC001438984868 891253764 /nfs/dbraw/zinc/25/37/64/891253764.db2.gz PIVVJZHFGRLGKU-JQWIXIFHSA-N 0 3 299.371 -1.242 20 0 CAADHN Cn1nccc1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001438984889 891253917 /nfs/dbraw/zinc/25/39/17/891253917.db2.gz PKGMIHHDYHNTPH-JTQLQIEISA-N 0 3 295.343 -1.621 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1ncn(C)n1 ZINC001438987370 891255105 /nfs/dbraw/zinc/25/51/05/891255105.db2.gz WMQLXLVDMMEXTK-SECBINFHSA-N 0 3 298.347 -1.980 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@H](O)CNCc1ccnn1C ZINC001438979840 891255141 /nfs/dbraw/zinc/25/51/41/891255141.db2.gz KODIZAKUBPMHOC-WCBMZHEXSA-N 0 3 298.347 -1.956 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC)n1 ZINC001438979515 891255516 /nfs/dbraw/zinc/25/55/16/891255516.db2.gz GBZSBZCLNLPTSR-IUCAKERBSA-N 0 3 298.347 -1.887 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C1=COCCC1 ZINC001438979469 891255583 /nfs/dbraw/zinc/25/55/83/891255583.db2.gz GXPAXADSMOSBQG-GXSJLCMTSA-N 0 3 285.344 -1.118 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)nn1 ZINC001438986387 891255617 /nfs/dbraw/zinc/25/56/17/891255617.db2.gz SPHDKLLJHPPWKY-SECBINFHSA-N 0 3 296.331 -2.226 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)nn1 ZINC001438986397 891256132 /nfs/dbraw/zinc/25/61/32/891256132.db2.gz SPHDKLLJHPPWKY-VIFPVBQESA-N 0 3 296.331 -2.226 20 0 CAADHN Cn1nccc1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001438984892 891256412 /nfs/dbraw/zinc/25/64/12/891256412.db2.gz PKGMIHHDYHNTPH-SNVBAGLBSA-N 0 3 295.343 -1.621 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cncc(F)c1 ZINC001438985783 891256794 /nfs/dbraw/zinc/25/67/94/891256794.db2.gz YMUOWFYUWQQNDJ-SECBINFHSA-N 0 3 270.264 -1.614 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C1=COCCC1 ZINC001438979473 891256898 /nfs/dbraw/zinc/25/68/98/891256898.db2.gz GXPAXADSMOSBQG-MWLCHTKSSA-N 0 3 285.344 -1.118 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001438982358 891257183 /nfs/dbraw/zinc/25/71/83/891257183.db2.gz LEPPLTNANQDRKD-HTQZYQBOSA-N 0 3 288.304 -2.750 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC)n1 ZINC001438979514 891257376 /nfs/dbraw/zinc/25/73/76/891257376.db2.gz GBZSBZCLNLPTSR-DTWKUNHWSA-N 0 3 298.347 -1.887 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)c1cnnn1C ZINC001438982342 891257453 /nfs/dbraw/zinc/25/74/53/891257453.db2.gz LAAZVCOHMVGXQS-JTQLQIEISA-N 0 3 293.331 -1.571 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CNCC(N)=O)ccc1=O ZINC001438993948 891257890 /nfs/dbraw/zinc/25/78/90/891257890.db2.gz AEFXBDGQNLPZJZ-SECBINFHSA-N 0 3 282.300 -2.449 20 0 CAADHN CCn1ccc(CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)n1 ZINC001438988339 891258914 /nfs/dbraw/zinc/25/89/14/891258914.db2.gz BVZXFOPUPKZGRX-GXSJLCMTSA-N 0 3 297.359 -1.614 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC1(F)F ZINC001438996481 891258947 /nfs/dbraw/zinc/25/89/47/891258947.db2.gz PEJCWOSIUJCXLC-SFYZADRCSA-N 0 3 279.287 -1.156 20 0 CAADHN CC[C@H](F)CNC[C@H](O)CNC(=O)CNC(=O)NC ZINC001438999816 891259441 /nfs/dbraw/zinc/25/94/41/891259441.db2.gz SHXACPRDRUENMP-IUCAKERBSA-N 0 3 278.328 -1.270 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccncc1C ZINC001438998802 891259477 /nfs/dbraw/zinc/25/94/77/891259477.db2.gz RXVQUFJBBCDRMQ-JTQLQIEISA-N 0 3 280.328 -1.184 20 0 CAADHN CC(C)CNC(=O)CNC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001438997702 891259609 /nfs/dbraw/zinc/25/96/09/891259609.db2.gz PXINCZNBUDHALF-JTQLQIEISA-N 0 3 297.359 -1.138 20 0 CAADHN CN1CCC[C@H](NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1=O ZINC001438989656 891259784 /nfs/dbraw/zinc/25/97/84/891259784.db2.gz BFCUFIVLNFEYAJ-ZJUUUORDSA-N 0 3 295.343 -1.289 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001438992084 891259885 /nfs/dbraw/zinc/25/98/85/891259885.db2.gz HNENFVGZVQADCK-KOLCDFICSA-N 0 3 297.359 -1.457 20 0 CAADHN CC[C@@H](F)CNC[C@H](O)CNC(=O)CNC(=O)NC ZINC001438999811 891260334 /nfs/dbraw/zinc/26/03/34/891260334.db2.gz SHXACPRDRUENMP-BDAKNGLRSA-N 0 3 278.328 -1.270 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001438992089 891260053 /nfs/dbraw/zinc/26/00/53/891260053.db2.gz HNENFVGZVQADCK-ONGXEEELSA-N 0 3 297.359 -1.457 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cccn2nccc12 ZINC001439001364 891260463 /nfs/dbraw/zinc/26/04/63/891260463.db2.gz MNRRMFLYULWIQY-SECBINFHSA-N 0 3 291.311 -1.500 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC(=O)N1 ZINC001438987477 891260494 /nfs/dbraw/zinc/26/04/94/891260494.db2.gz VZBREECFZUKCSX-JGVFFNPUSA-N 0 3 272.305 -2.922 20 0 CAADHN Cn1nncc1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001438988224 891260554 /nfs/dbraw/zinc/26/05/54/891260554.db2.gz YQNDYZLPEYRHCD-VIFPVBQESA-N 0 3 296.331 -2.226 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001438993139 891260966 /nfs/dbraw/zinc/26/09/66/891260966.db2.gz LCGRUKRRDRMZGG-DTWKUNHWSA-N 0 3 283.332 -1.717 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc2n(n1)CCCC2 ZINC001438993632 891261231 /nfs/dbraw/zinc/26/12/31/891261231.db2.gz BJAMHSYWYOBHAU-JTQLQIEISA-N 0 3 295.343 -1.615 20 0 CAADHN Cc1cc(C)nc(C(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001438999809 891262352 /nfs/dbraw/zinc/26/23/52/891262352.db2.gz JXGJUUMQOSSPGK-JTQLQIEISA-N 0 3 280.328 -1.136 20 0 CAADHN CN1CCC[C@@H](NC[C@@H](O)CNC(=O)c2ncc[nH]2)C1=O ZINC001438989646 891262384 /nfs/dbraw/zinc/26/23/84/891262384.db2.gz BFCUFIVLNFEYAJ-NXEZZACHSA-N 0 3 295.343 -1.289 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnc(C)n1C ZINC001439009790 891262980 /nfs/dbraw/zinc/26/29/80/891262980.db2.gz CFNBAXGOMZTJIY-SECBINFHSA-N 0 3 283.332 -1.845 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1c(C)cnn1C)C(N)=O ZINC001439009789 891263245 /nfs/dbraw/zinc/26/32/45/891263245.db2.gz GFHHKUMVEUXPNU-NXEZZACHSA-N 0 3 297.359 -1.327 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1 ZINC001439018644 891263665 /nfs/dbraw/zinc/26/36/65/891263665.db2.gz WQZATACXQRPGTB-BQBZGAKWSA-N 0 3 283.292 -3.221 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001439009732 891263841 /nfs/dbraw/zinc/26/38/41/891263841.db2.gz FSGDNKBLLSLGCV-YUMQZZPRSA-N 0 3 299.331 -2.060 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnn2cccnc12 ZINC001439019070 891264237 /nfs/dbraw/zinc/26/42/37/891264237.db2.gz NVAFPKKRFNUXOP-QMMMGPOBSA-N 0 3 292.299 -2.105 20 0 CAADHN COCC1(C(=O)NC[C@@H](O)CN[C@H]2CCCNC2=O)CC1 ZINC001439016045 891264586 /nfs/dbraw/zinc/26/45/86/891264586.db2.gz ZFGZWGLOEYSHCH-QWRGUYRKSA-N 0 3 299.371 -1.242 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1c[nH]c(=O)n1C ZINC001439012413 891264752 /nfs/dbraw/zinc/26/47/52/891264752.db2.gz MCGBGDKKPGSFIC-QMMMGPOBSA-N 0 3 299.331 -2.106 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1c(C)cnn1C)C(N)=O ZINC001439009793 891265064 /nfs/dbraw/zinc/26/50/64/891265064.db2.gz GFHHKUMVEUXPNU-UWVGGRQHSA-N 0 3 297.359 -1.327 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)Cc1cnc(C)o1 ZINC001439003079 891265497 /nfs/dbraw/zinc/26/54/97/891265497.db2.gz LJMJCAGBMPSJLL-VIFPVBQESA-N 0 3 284.316 -1.662 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1C ZINC001439011202 891265247 /nfs/dbraw/zinc/26/52/47/891265247.db2.gz JAIQHDXYUHAGLV-HRDYMLBCSA-N 0 3 286.332 -1.835 20 0 CAADHN CC[C@@H](F)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001439011293 891265610 /nfs/dbraw/zinc/26/56/10/891265610.db2.gz JHHIATUWABSSBU-RNFRBKRXSA-N 0 3 278.284 -2.004 20 0 CAADHN O=C(CCc1ccon1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001439014515 891265902 /nfs/dbraw/zinc/26/59/02/891265902.db2.gz WKQVISGFVWUPNI-QWRGUYRKSA-N 0 3 296.327 -1.438 20 0 CAADHN O=C(CCc1ccon1)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001439014510 891266274 /nfs/dbraw/zinc/26/62/74/891266274.db2.gz WKQVISGFVWUPNI-MNOVXSKESA-N 0 3 296.327 -1.438 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1cncnc1 ZINC001439007103 891266307 /nfs/dbraw/zinc/26/63/07/891266307.db2.gz IGFRNEKFUMLNBJ-LLVKDONJSA-N 0 3 295.343 -1.778 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cnco1)NCC1CC1 ZINC001439010602 891266346 /nfs/dbraw/zinc/26/63/46/891266346.db2.gz DLSOMAUQLHKAPB-JTQLQIEISA-N 0 3 296.327 -1.119 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001439126151 891284419 /nfs/dbraw/zinc/28/44/19/891284419.db2.gz KLRXPRXCJQOGKH-SFYZADRCSA-N 0 3 277.346 -1.999 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1nc(C)no1 ZINC001439019762 891266684 /nfs/dbraw/zinc/26/66/84/891266684.db2.gz OLBZPJHSXXKMGP-SECBINFHSA-N 0 3 299.331 -1.877 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1cn(C)nc1C ZINC001439008479 891266718 /nfs/dbraw/zinc/26/67/18/891266718.db2.gz YDUICYKBEZJAHZ-LLVKDONJSA-N 0 3 297.359 -1.916 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnc2nccn2c1 ZINC001439007705 891266752 /nfs/dbraw/zinc/26/67/52/891266752.db2.gz LFOYFIUGFKVPAL-SECBINFHSA-N 0 3 292.299 -2.105 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)NC1=O ZINC001439011926 891267235 /nfs/dbraw/zinc/26/72/35/891267235.db2.gz KGKQOXUOTISOGR-NKWVEPMBSA-N 0 3 273.293 -3.438 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001439018661 891266843 /nfs/dbraw/zinc/26/68/43/891266843.db2.gz WQZATACXQRPGTB-NKWVEPMBSA-N 0 3 283.292 -3.221 20 0 CAADHN COc1nccc(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001439007688 891267017 /nfs/dbraw/zinc/26/70/17/891267017.db2.gz KZEPNXYXJCLXSB-SSDOTTSWSA-N 0 3 283.288 -2.349 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnco1)C(N)=O ZINC001439023773 891267707 /nfs/dbraw/zinc/26/77/07/891267707.db2.gz XFTCWECPSHAIJR-JGVFFNPUSA-N 0 3 270.289 -1.381 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccnnc1 ZINC001439028107 891267829 /nfs/dbraw/zinc/26/78/29/891267829.db2.gz DEWWUOAWOSLEHF-LLVKDONJSA-N 0 3 295.343 -1.365 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccc(Cl)[nH]1 ZINC001439023888 891268692 /nfs/dbraw/zinc/26/86/92/891268692.db2.gz YIPKZLBEWAVLIA-LURJTMIESA-N 0 3 274.708 -1.166 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1cnco1)C(N)=O ZINC001439023776 891268879 /nfs/dbraw/zinc/26/88/79/891268879.db2.gz XFTCWECPSHAIJR-SFYZADRCSA-N 0 3 270.289 -1.381 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cc(C2CC2)n[nH]1)C(N)=O ZINC001439030917 891269191 /nfs/dbraw/zinc/26/91/91/891269191.db2.gz JMQBWUBRVVNDOV-APPZFPTMSA-N 0 3 295.343 -1.159 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](OC)C(C)C ZINC001439024400 891269361 /nfs/dbraw/zinc/26/93/61/891269361.db2.gz IBHSIURLMBSXCL-KOLCDFICSA-N 0 3 275.349 -1.530 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1cnoc1 ZINC001439027135 891269799 /nfs/dbraw/zinc/26/97/99/891269799.db2.gz WWTCBHZZIJNFIA-PSASIEDQSA-N 0 3 284.316 -1.582 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)nn1 ZINC001439029115 891270124 /nfs/dbraw/zinc/27/01/24/891270124.db2.gz BWZSTEZJMVIIOJ-BDAKNGLRSA-N 0 3 296.331 -2.133 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001439027909 891270188 /nfs/dbraw/zinc/27/01/88/891270188.db2.gz CGBAFSGAQRRYDA-SFYZADRCSA-N 0 3 284.316 -1.952 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccc(Cl)[nH]1 ZINC001439023891 891270398 /nfs/dbraw/zinc/27/03/98/891270398.db2.gz YIPKZLBEWAVLIA-ZCFIWIBFSA-N 0 3 274.708 -1.166 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001439023422 891270736 /nfs/dbraw/zinc/27/07/36/891270736.db2.gz KQLLEUUAFCJKOZ-XXFSISAASA-N 0 3 285.344 -1.920 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001439027364 891270933 /nfs/dbraw/zinc/27/09/33/891270933.db2.gz BYGQVPUEKHJITE-BDAKNGLRSA-N 0 3 283.332 -1.467 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1nc(C)c[nH]1 ZINC001439027371 891271181 /nfs/dbraw/zinc/27/11/81/891271181.db2.gz BYGQVPUEKHJITE-IUCAKERBSA-N 0 3 283.332 -1.467 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1conc1C ZINC001439022748 891271214 /nfs/dbraw/zinc/27/12/14/891271214.db2.gz FUPAPCXIKKYSQX-DTWKUNHWSA-N 0 3 284.316 -1.202 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cc(C2CC2)n[nH]1)C(N)=O ZINC001439030942 891271240 /nfs/dbraw/zinc/27/12/40/891271240.db2.gz JMQBWUBRVVNDOV-IONNQARKSA-N 0 3 295.343 -1.159 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001439028900 891271420 /nfs/dbraw/zinc/27/14/20/891271420.db2.gz FQTVDCVGSJUWJW-ZDCRXTMVSA-N 0 3 285.344 -1.633 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)nn1 ZINC001439037466 891271952 /nfs/dbraw/zinc/27/19/52/891271952.db2.gz VBPXSUAROSZTKC-SFYZADRCSA-N 0 3 284.320 -2.148 20 0 CAADHN COc1cccc(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001439037865 891271982 /nfs/dbraw/zinc/27/19/82/891271982.db2.gz XHDIRUAINSYHHO-MRVPVSSYSA-N 0 3 282.300 -1.744 20 0 CAADHN CN1CCC[C@H](NC[C@H](O)CNC(=O)c2cnon2)C1=O ZINC001439037793 891272288 /nfs/dbraw/zinc/27/22/88/891272288.db2.gz GAUXTQHMLKPPSD-IUCAKERBSA-N 0 3 297.315 -1.629 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CNC(=O)c2cnon2)C1=O ZINC001439040090 891272373 /nfs/dbraw/zinc/27/23/73/891272373.db2.gz LYIOSTKYNIREGN-BDAKNGLRSA-N 0 3 297.315 -1.629 20 0 CAADHN CN1CCC[C@@H](NC[C@H](O)CNC(=O)c2cnon2)C1=O ZINC001439037663 891272641 /nfs/dbraw/zinc/27/26/41/891272641.db2.gz GAUXTQHMLKPPSD-DTWKUNHWSA-N 0 3 297.315 -1.629 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cn1ccccc1=O ZINC001439045399 891272708 /nfs/dbraw/zinc/27/27/08/891272708.db2.gz NLVUIUKWVSJLBH-SECBINFHSA-N 0 3 282.300 -2.600 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CNC(=O)c2cnon2)C1=O ZINC001439040099 891273087 /nfs/dbraw/zinc/27/30/87/891273087.db2.gz LYIOSTKYNIREGN-IUCAKERBSA-N 0 3 297.315 -1.629 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001439031563 891273543 /nfs/dbraw/zinc/27/35/43/891273543.db2.gz LCNRTOOTHMYVAY-RKDXNWHRSA-N 0 3 286.332 -2.532 20 0 CAADHN C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNCC(N)=O ZINC001439031678 891273973 /nfs/dbraw/zinc/27/39/73/891273973.db2.gz IHKQEHIYSNRZEV-MWLCHTKSSA-N 0 3 297.359 -1.849 20 0 CAADHN C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNCC(N)=O ZINC001439031640 891274213 /nfs/dbraw/zinc/27/42/13/891274213.db2.gz IHKQEHIYSNRZEV-GXSJLCMTSA-N 0 3 297.359 -1.849 20 0 CAADHN COc1cccc(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001439037942 891274268 /nfs/dbraw/zinc/27/42/68/891274268.db2.gz XHDIRUAINSYHHO-QMMMGPOBSA-N 0 3 282.300 -1.744 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CNCC(N)=O)cnn1C(C)C ZINC001439036605 891274310 /nfs/dbraw/zinc/27/43/10/891274310.db2.gz FVXPJJWEYVAILQ-JTQLQIEISA-N 0 3 297.359 -1.062 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1cncn1C ZINC001439045950 891274354 /nfs/dbraw/zinc/27/43/54/891274354.db2.gz IYOWCWIWIRPXRJ-NSHDSACASA-N 0 3 297.359 -1.835 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1ccc2c(c1)CCO2 ZINC001439034514 891274564 /nfs/dbraw/zinc/27/45/64/891274564.db2.gz PMPRFMBYAFUHPP-NSHDSACASA-N 0 3 293.323 -1.213 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1[nH]cnc1CC ZINC001439040568 891274794 /nfs/dbraw/zinc/27/47/94/891274794.db2.gz CHTPJACIDKYCPU-SECBINFHSA-N 0 3 297.359 -1.212 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccc2nncn2c1 ZINC001439037471 891274896 /nfs/dbraw/zinc/27/48/96/891274896.db2.gz ZFFBRDVFEURANT-SECBINFHSA-N 0 3 292.299 -2.105 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)CCOC1 ZINC001439034511 891275402 /nfs/dbraw/zinc/27/54/02/891275402.db2.gz NLQUVLDURUSSJI-FZMZJTMJSA-N 0 3 299.371 -1.288 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C[C@@H]1CCCOC1 ZINC001439055001 891277371 /nfs/dbraw/zinc/27/73/71/891277371.db2.gz KZZZHUUBAHCEFN-UWVGGRQHSA-N 0 3 273.333 -1.645 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001439035708 891275644 /nfs/dbraw/zinc/27/56/44/891275644.db2.gz SIXOBCQSIXKIHB-SDDRHHMPSA-N 0 3 292.339 -1.263 20 0 CAADHN CCc1cc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)no1 ZINC001439043283 891276044 /nfs/dbraw/zinc/27/60/44/891276044.db2.gz CRAQECCLLJJXDV-WCBMZHEXSA-N 0 3 296.327 -1.194 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](O)CN[C@H](C)C(N)=O ZINC001439048332 891277260 /nfs/dbraw/zinc/27/72/60/891277260.db2.gz ANEBSDHRCBVFGL-SFYZADRCSA-N 0 3 295.361 -2.638 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001439075654 891277303 /nfs/dbraw/zinc/27/73/03/891277303.db2.gz DEYLCHSMEUZXEB-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN Cc1nc(C)c(C(=O)NC[C@@H](O)CNCC(N)=O)s1 ZINC001439056598 891277442 /nfs/dbraw/zinc/27/74/42/891277442.db2.gz UMFFGBZIAIUSDK-QMMMGPOBSA-N 0 3 286.357 -1.074 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001439055622 891277480 /nfs/dbraw/zinc/27/74/80/891277480.db2.gz KDVUNCIEKQDBTE-SECBINFHSA-N 0 3 297.315 -1.709 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cn1ccnc1C ZINC001439052349 891277618 /nfs/dbraw/zinc/27/76/18/891277618.db2.gz GRDBKLXNOKDOTH-LLVKDONJSA-N 0 3 297.359 -1.606 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cn1ccnc1C ZINC001439061816 891277853 /nfs/dbraw/zinc/27/78/53/891277853.db2.gz SLTBIQNXSQKWCB-GXSJLCMTSA-N 0 3 297.359 -1.607 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](O)CNCc1cnn(C)n1 ZINC001439060133 891278029 /nfs/dbraw/zinc/27/80/29/891278029.db2.gz UIWIBBVOAWRJIP-GFCCVEGCSA-N 0 3 298.391 -1.278 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001439059633 891278075 /nfs/dbraw/zinc/27/80/75/891278075.db2.gz ZCVSZJYVRRMZSJ-APPZFPTMSA-N 0 3 282.300 -1.659 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1cncn1C ZINC001439049121 891278113 /nfs/dbraw/zinc/27/81/13/891278113.db2.gz RLKFVYRPBMDCTA-GXSJLCMTSA-N 0 3 297.359 -1.836 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CCNC1=O ZINC001439070058 891278266 /nfs/dbraw/zinc/27/82/66/891278266.db2.gz JJAVHNIDHZPIOY-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCCOC1 ZINC001439054999 891278747 /nfs/dbraw/zinc/27/87/47/891278747.db2.gz KZZZHUUBAHCEFN-NXEZZACHSA-N 0 3 273.333 -1.645 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](O)CNCc1cnn(C)n1 ZINC001439060139 891279064 /nfs/dbraw/zinc/27/90/64/891279064.db2.gz UIWIBBVOAWRJIP-LBPRGKRZSA-N 0 3 298.391 -1.278 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1CCC(=O)N1C ZINC001439076406 891279110 /nfs/dbraw/zinc/27/91/10/891279110.db2.gz GMXQOLOEKNQVHW-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H](C)NC(N)=O ZINC001439068672 891279773 /nfs/dbraw/zinc/27/97/73/891279773.db2.gz CJDRNTJVJNZKSA-VHSXEESVSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](CC[NH2+][C@H]1CCNC1=O)NC(=O)Cc1nnc[n-]1 ZINC001439077741 891279449 /nfs/dbraw/zinc/27/94/49/891279449.db2.gz YUPBNEVLDJDKHV-BDAKNGLRSA-N 0 3 280.332 -1.280 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1[nH]cnc1C ZINC001439054971 891279647 /nfs/dbraw/zinc/27/96/47/891279647.db2.gz OPZWRKAUXFATFC-SNVBAGLBSA-N 0 3 297.359 -1.075 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](O)CNCc1cn(C)nn1 ZINC001439050096 891279950 /nfs/dbraw/zinc/27/99/50/891279950.db2.gz DELNHLRGTCFZKP-LBPRGKRZSA-N 0 3 298.391 -1.278 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)C(C)(C)c1c[nH]cn1)C(N)=O ZINC001439050975 891280029 /nfs/dbraw/zinc/28/00/29/891280029.db2.gz XBZKLSNDWDCPIH-RKDXNWHRSA-N 0 3 297.359 -1.372 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)C(C)(C)c1c[nH]cn1)C(N)=O ZINC001439050969 891280199 /nfs/dbraw/zinc/28/01/99/891280199.db2.gz XBZKLSNDWDCPIH-IUCAKERBSA-N 0 3 297.359 -1.372 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cccn(C)c1=O)C(N)=O ZINC001439048248 891280302 /nfs/dbraw/zinc/28/03/02/891280302.db2.gz OQFFBDQZGALRPE-DTWKUNHWSA-N 0 3 296.327 -2.061 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)no1 ZINC001439049161 891280333 /nfs/dbraw/zinc/28/03/33/891280333.db2.gz RVRBNQDNKORXSQ-JGVFFNPUSA-N 0 3 284.316 -1.209 20 0 CAADHN C[C@H](Oc1ccccn1)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001439046818 891280631 /nfs/dbraw/zinc/28/06/31/891280631.db2.gz KQRUIPRWAIENJW-UWVGGRQHSA-N 0 3 296.327 -1.599 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C(C)(C)c1c[nH]cn1)C(N)=O ZINC001439050965 891280944 /nfs/dbraw/zinc/28/09/44/891280944.db2.gz XBZKLSNDWDCPIH-DTWKUNHWSA-N 0 3 297.359 -1.372 20 0 CAADHN C[C@H](CC[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1nnc[n-]1 ZINC001439077753 891281044 /nfs/dbraw/zinc/28/10/44/891281044.db2.gz YUPBNEVLDJDKHV-RKDXNWHRSA-N 0 3 280.332 -1.280 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@@H]1CCN(C)C1=O ZINC001439050224 891281370 /nfs/dbraw/zinc/28/13/70/891281370.db2.gz GSVMNDIUZYNGLV-VHSXEESVSA-N 0 3 295.343 -1.371 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccc(=O)[nH]c1)C(N)=O ZINC001439059639 891281452 /nfs/dbraw/zinc/28/14/52/891281452.db2.gz ZCVSZJYVRRMZSJ-CBAPKCEASA-N 0 3 282.300 -1.659 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001439096988 891281845 /nfs/dbraw/zinc/28/18/45/891281845.db2.gz UOVNDGJLGYEKCT-MRVPVSSYSA-N 0 3 298.347 -1.819 20 0 CAADHN C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)c1cnc[n-]c1=O ZINC001439118247 891282005 /nfs/dbraw/zinc/28/20/05/891282005.db2.gz FHQQTEIRPPOPRC-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001439136375 891282021 /nfs/dbraw/zinc/28/20/21/891282021.db2.gz PPAKNVIGIOIGDV-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1cnnn1C ZINC001439101633 891282150 /nfs/dbraw/zinc/28/21/50/891282150.db2.gz MTMBWQSDQLJCAK-SSDOTTSWSA-N 0 3 297.319 -2.021 20 0 CAADHN Cc1nnc(CC(=O)N[C@H](C)CN[C@@H]2CCNC2=O)o1 ZINC001439104060 891282282 /nfs/dbraw/zinc/28/22/82/891282282.db2.gz QKAWZKVVDNTNPB-VXNVDRBHSA-N 0 3 281.316 -1.097 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001439100345 891282382 /nfs/dbraw/zinc/28/23/82/891282382.db2.gz HZJGJOOBYBURNE-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CCCC(N)=O ZINC001439082414 891282579 /nfs/dbraw/zinc/28/25/79/891282579.db2.gz KBTXSDUJHLKNSP-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CCNC(=O)CCC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001439102571 891282895 /nfs/dbraw/zinc/28/28/95/891282895.db2.gz MPWOPIJCYFKIGW-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)NC(=O)Cn2cnnn2)C1=O ZINC001439087330 891283020 /nfs/dbraw/zinc/28/30/20/891283020.db2.gz CUJHGOZWRRAPCN-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1ccn[nH]1 ZINC001439095310 891283044 /nfs/dbraw/zinc/28/30/44/891283044.db2.gz VRQFQZUJDFBDJM-SSDOTTSWSA-N 0 3 282.304 -1.427 20 0 CAADHN Cc1nnc(CC(=O)N[C@H](C)CN[C@H]2CCNC2=O)o1 ZINC001439103802 891283217 /nfs/dbraw/zinc/28/32/17/891283217.db2.gz QKAWZKVVDNTNPB-APPZFPTMSA-N 0 3 281.316 -1.097 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)Cn2cnnn2)n[nH]1 ZINC001439087684 891283290 /nfs/dbraw/zinc/28/32/90/891283290.db2.gz HZVQBFCHVNHEDC-SSDOTTSWSA-N 0 3 279.308 -1.606 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001439129303 891283673 /nfs/dbraw/zinc/28/36/73/891283673.db2.gz MMYWWKROXOSEQX-ZJUUUORDSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cc(=O)c(OC)c[nH]1 ZINC001439130335 891283738 /nfs/dbraw/zinc/28/37/38/891283738.db2.gz NMVMAZFMRNEZNN-MRVPVSSYSA-N 0 3 296.327 -1.163 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N[C@H](C)CNCC(N)=O ZINC001439129291 891283908 /nfs/dbraw/zinc/28/39/08/891283908.db2.gz MMYWWKROXOSEQX-NXEZZACHSA-N 0 3 272.349 -1.713 20 0 CAADHN CCNC(=O)CCC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001439102568 891284296 /nfs/dbraw/zinc/28/42/96/891284296.db2.gz MPWOPIJCYFKIGW-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CNCC(=O)N(C)C ZINC001439105426 891284656 /nfs/dbraw/zinc/28/46/56/891284656.db2.gz VNZVBZJREIUBPZ-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN CCN1C[C@@H](C(=O)N[C@H](C)CNCC(=O)NC)CC1=O ZINC001439113796 891285054 /nfs/dbraw/zinc/28/50/54/891285054.db2.gz AKSLAKWWNQQTHA-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)Cn2ncnn2)n[nH]1 ZINC001439108815 891285122 /nfs/dbraw/zinc/28/51/22/891285122.db2.gz DTYIMAAAODNKMH-SSDOTTSWSA-N 0 3 279.308 -1.606 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001439089236 891285297 /nfs/dbraw/zinc/28/52/97/891285297.db2.gz ZTLQMSVFCTZQPM-BDAKNGLRSA-N 0 3 283.332 -1.118 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1cn(C)cn1 ZINC001439108971 891285551 /nfs/dbraw/zinc/28/55/51/891285551.db2.gz QNBNODRFZAOHHG-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1cnn(C)c1 ZINC001439087271 891285722 /nfs/dbraw/zinc/28/57/22/891285722.db2.gz CEVFBBIMRLUKLM-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C(C)(C)CNC(C)=O ZINC001439161790 891286595 /nfs/dbraw/zinc/28/65/95/891286595.db2.gz RXQTXOHWZWIGOM-SECBINFHSA-N 0 3 286.376 -1.011 20 0 CAADHN Cc1cc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)on1 ZINC001439186552 891286622 /nfs/dbraw/zinc/28/66/22/891286622.db2.gz DSKYCKVXJKADQZ-ZETCQYMHSA-N 0 3 283.288 -1.114 20 0 CAADHN CC(C)c1nnnn1CC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001439158242 891287118 /nfs/dbraw/zinc/28/71/18/891287118.db2.gz FBBOIHZZPKVFMJ-BDAKNGLRSA-N 0 3 297.363 -1.235 20 0 CAADHN C[C@H](CNCc1cnn(C)c1)NC(=O)[C@H]1CNC(=O)N1 ZINC001439148877 891287363 /nfs/dbraw/zinc/28/73/63/891287363.db2.gz UTOOIZLJEVVNJU-PSASIEDQSA-N 0 3 280.332 -1.304 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001439181927 891287458 /nfs/dbraw/zinc/28/74/58/891287458.db2.gz IPKQQFICQFHIHL-SFYZADRCSA-N 0 3 279.362 -1.611 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CNCC(=O)NC(C)C ZINC001439192113 891287495 /nfs/dbraw/zinc/28/74/95/891287495.db2.gz IBEOPHUECOHZNV-VIFPVBQESA-N 0 3 288.348 -1.039 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CNCC(=O)N1CCCC1 ZINC001439185153 891287709 /nfs/dbraw/zinc/28/77/09/891287709.db2.gz PASGVAFNFYFFDZ-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001439139663 891288257 /nfs/dbraw/zinc/28/82/57/891288257.db2.gz QWGFISNFWIMKLZ-NXEZZACHSA-N 0 3 299.375 -2.224 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CCCS(N)(=O)=O ZINC001439147925 891288293 /nfs/dbraw/zinc/28/82/93/891288293.db2.gz SCODZUWLERDHDC-MRVPVSSYSA-N 0 3 294.377 -2.105 20 0 CAADHN Cc1nonc1CC(=O)N[C@H](C)CN[C@H]1CCNC1=O ZINC001439164418 891288949 /nfs/dbraw/zinc/28/89/49/891288949.db2.gz SSMARKMEQSLSBF-APPZFPTMSA-N 0 3 281.316 -1.097 20 0 CAADHN Cc1nonc1CC(=O)N[C@H](C)CN[C@@H]1CCNC1=O ZINC001439164419 891289009 /nfs/dbraw/zinc/28/90/09/891289009.db2.gz SSMARKMEQSLSBF-VXNVDRBHSA-N 0 3 281.316 -1.097 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCCNC1=O ZINC001439191848 891289276 /nfs/dbraw/zinc/28/92/76/891289276.db2.gz FPQPXEZHDBAXPE-IUCAKERBSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001439138566 891289337 /nfs/dbraw/zinc/28/93/37/891289337.db2.gz JYQAJLBZLIHBPE-SCZZXKLOSA-N 0 3 297.359 -1.617 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001439165393 891289655 /nfs/dbraw/zinc/28/96/55/891289655.db2.gz ZTHKKWBCABPYHC-SFYZADRCSA-N 0 3 295.343 -1.044 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)Cn2cncn2)n[nH]1 ZINC001439178697 891289865 /nfs/dbraw/zinc/28/98/65/891289865.db2.gz XYWVLZLUYSVXFW-MRVPVSSYSA-N 0 3 278.320 -1.001 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)[C@H]2CN(C)C(=O)N2)n[nH]1 ZINC001439137966 891290336 /nfs/dbraw/zinc/29/03/36/891290336.db2.gz FXAIWCKVDNEUPC-VXNVDRBHSA-N 0 3 295.347 -1.269 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001439229987 891291388 /nfs/dbraw/zinc/29/13/88/891291388.db2.gz HHCDCIAAVUAUJX-IUCAKERBSA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001439246835 891291342 /nfs/dbraw/zinc/29/13/42/891291342.db2.gz ZGUWHDRNJOTYDL-IVZWLZJFSA-N 0 3 282.344 -1.410 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H](C)NC(N)=O ZINC001439208907 891291669 /nfs/dbraw/zinc/29/16/69/891291669.db2.gz ZXZLOJCFUAPUPX-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ccnn1C ZINC001439196628 891291932 /nfs/dbraw/zinc/29/19/32/891291932.db2.gz RLUWQFWDHSUSGY-YUMQZZPRSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@@H]1CCCN(C)C1=O ZINC001439212163 891292460 /nfs/dbraw/zinc/29/24/60/891292460.db2.gz FCPYEZWWTQPPFG-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cn2c(n1)COCC2)C(N)=O ZINC001439221749 891292591 /nfs/dbraw/zinc/29/25/91/891292591.db2.gz OEHRUMQISCUAIP-DTWKUNHWSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@]1(F)CCOC1 ZINC001439245878 891292661 /nfs/dbraw/zinc/29/26/61/891292661.db2.gz YAFVKSRKCPOUGF-WRWORJQWSA-N 0 3 290.295 -1.596 20 0 CAADHN CO[C@H](C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)C(C)C ZINC001439247437 891292695 /nfs/dbraw/zinc/29/26/95/891292695.db2.gz WQRXMZOJGKVBJV-WPRPVWTQSA-N 0 3 288.348 -1.053 20 0 CAADHN Cc1nnc(CC(=O)N[C@@H](C)CN[C@H]2CCNC2=O)o1 ZINC001439209578 891292778 /nfs/dbraw/zinc/29/27/78/891292778.db2.gz QKAWZKVVDNTNPB-CBAPKCEASA-N 0 3 281.316 -1.097 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1COC(=O)N1 ZINC001439208228 891292839 /nfs/dbraw/zinc/29/28/39/891292839.db2.gz KUKTXUIXXHEPKF-YUMQZZPRSA-N 0 3 272.305 -1.723 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc2nnnn2c1 ZINC001439231605 891293016 /nfs/dbraw/zinc/29/30/16/891293016.db2.gz ZXKVTXGIUNZLIH-YUMQZZPRSA-N 0 3 291.315 -1.294 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001439239653 891293534 /nfs/dbraw/zinc/29/35/34/891293534.db2.gz QWGFISNFWIMKLZ-UWVGGRQHSA-N 0 3 299.375 -2.224 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H](C)CN[C@H](C)C(N)=O ZINC001439211918 891293632 /nfs/dbraw/zinc/29/36/32/891293632.db2.gz CYOZEUKSORYSKK-JGVFFNPUSA-N 0 3 294.377 -2.106 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001439237118 891293936 /nfs/dbraw/zinc/29/39/36/891293936.db2.gz WUBKTLOCAKXOAE-QMMMGPOBSA-N 0 3 283.336 -1.557 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001439234656 891294118 /nfs/dbraw/zinc/29/41/18/891294118.db2.gz GSOYCVWIHAJFPK-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN COc1cc(OC)nc(C(=O)N[C@@H](C)CNCC(N)=O)n1 ZINC001439220795 891294246 /nfs/dbraw/zinc/29/42/46/891294246.db2.gz JSQGXACMIHTSFJ-ZETCQYMHSA-N 0 3 297.315 -1.313 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc2n[nH]nc2n1 ZINC001439218392 891294274 /nfs/dbraw/zinc/29/42/74/891294274.db2.gz YAXNEKXURDKPOH-BQBZGAKWSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H](C)CC(N)=O ZINC001439238523 891294462 /nfs/dbraw/zinc/29/44/62/891294462.db2.gz MHSKNSAKCBHGED-IUCAKERBSA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001439246839 891294519 /nfs/dbraw/zinc/29/45/19/891294519.db2.gz ZGUWHDRNJOTYDL-LPEHRKFASA-N 0 3 282.344 -1.410 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)CS(C)(=O)=O ZINC001439203428 891294743 /nfs/dbraw/zinc/29/47/43/891294743.db2.gz YIYXHOFDXVUYEA-VIFPVBQESA-N 0 3 293.389 -1.349 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1COC(=O)N1 ZINC001439208227 891294929 /nfs/dbraw/zinc/29/49/29/891294929.db2.gz KUKTXUIXXHEPKF-JGVFFNPUSA-N 0 3 272.305 -1.723 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CN1CCCNC1=O ZINC001439230563 891295085 /nfs/dbraw/zinc/29/50/85/891295085.db2.gz HZFXNTNFFBQLDK-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CC[C@@H](OC)C(=O)N[C@@H](C)CNCC(=O)NC(=O)NC ZINC001439199301 891295253 /nfs/dbraw/zinc/29/52/53/891295253.db2.gz WEUDLQOLQZXANG-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)Cn1ncnn1 ZINC001439239018 891295673 /nfs/dbraw/zinc/29/56/73/891295673.db2.gz JCTXQNKEKJTNAM-QMMMGPOBSA-N 0 3 281.320 -1.954 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCOC1 ZINC001439201500 891295815 /nfs/dbraw/zinc/29/58/15/891295815.db2.gz QLXLEPCCNUYSTK-IUCAKERBSA-N 0 3 283.332 -1.261 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@]1(C)CCOC1 ZINC001439264851 891296901 /nfs/dbraw/zinc/29/69/01/891296901.db2.gz SUFHBYPXGXMYGW-UFBFGSQYSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cnn(C)c1OC ZINC001439272273 891296931 /nfs/dbraw/zinc/29/69/31/891296931.db2.gz ZVNHRAPJWTZPJE-QMMMGPOBSA-N 0 3 283.332 -1.117 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001439315863 891297176 /nfs/dbraw/zinc/29/71/76/891297176.db2.gz JAAAUHHPGOUQJZ-UTLUCORTSA-N 0 3 290.364 -1.513 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C(C)(C)S(C)(=O)=O ZINC001439256135 891298414 /nfs/dbraw/zinc/29/84/14/891298414.db2.gz GIAGVQANERTJJY-YUMQZZPRSA-N 0 3 293.389 -1.222 20 0 CAADHN Cc1nnc2n1C[C@@H](C(=O)N[C@@H](C)CNCC(N)=O)CC2 ZINC001439284899 891299572 /nfs/dbraw/zinc/29/95/72/891299572.db2.gz MCJZEFWFFVDOIZ-WPRPVWTQSA-N 0 3 294.359 -1.271 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CCNC(N)=O ZINC001439281053 891299697 /nfs/dbraw/zinc/29/96/97/891299697.db2.gz YSMQGDVZCOLZPP-QMMMGPOBSA-N 0 3 273.337 -1.773 20 0 CAADHN Cc1nnc2n1C[C@H](C(=O)N[C@@H](C)CNCC(N)=O)CC2 ZINC001439284898 891299794 /nfs/dbraw/zinc/29/97/94/891299794.db2.gz MCJZEFWFFVDOIZ-WCBMZHEXSA-N 0 3 294.359 -1.271 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001439297435 891300146 /nfs/dbraw/zinc/30/01/46/891300146.db2.gz SYTANCZOLGRRHJ-IUCAKERBSA-N 0 3 291.373 -1.596 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H](C)CN(C)CCO ZINC001439334551 891301034 /nfs/dbraw/zinc/30/10/34/891301034.db2.gz SUNYGBGAIIZRLJ-JTQLQIEISA-N 0 3 275.349 -1.480 20 0 CAADHN C[C@@H](CN(C)[C@H]1CCNC1=O)NC(=O)Cc1nnc[nH]1 ZINC001439385433 891305726 /nfs/dbraw/zinc/30/57/26/891305726.db2.gz BZISOPJLEDFEEI-IUCAKERBSA-N 0 3 280.332 -1.328 20 0 CAADHN CN(C)C(=O)CNC[C@@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001439447938 891306797 /nfs/dbraw/zinc/30/67/97/891306797.db2.gz LQHRLXWSCOFWNZ-SNVBAGLBSA-N 0 3 295.347 -1.754 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001439455115 891307613 /nfs/dbraw/zinc/30/76/13/891307613.db2.gz AYIVRQWDGULCSP-VIFPVBQESA-N 0 3 281.320 -2.097 20 0 CAADHN NC(=O)c1ncn(CC(=O)NC[C@@H]2CCN2CC2CC2)n1 ZINC001439526240 891308853 /nfs/dbraw/zinc/30/88/53/891308853.db2.gz QKIDNDRQEYDYIX-JTQLQIEISA-N 0 3 292.343 -1.023 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](NC(=O)Cn1cncn1)C1CC1 ZINC001439504466 891309065 /nfs/dbraw/zinc/30/90/65/891309065.db2.gz VIUNQULOHQRWOR-MWLCHTKSSA-N 0 3 294.359 -1.103 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001439445911 891309746 /nfs/dbraw/zinc/30/97/46/891309746.db2.gz CRQDVBOSWCRGHD-VXGBXAGGSA-N 0 3 296.371 -1.162 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001439447936 891310626 /nfs/dbraw/zinc/31/06/26/891310626.db2.gz LQHRLXWSCOFWNZ-JTQLQIEISA-N 0 3 295.347 -1.754 20 0 CAADHN CC[C@H](NC1(CNC(=O)CN(C)C(C)=O)CC1)C(N)=O ZINC001439596982 891310996 /nfs/dbraw/zinc/31/09/96/891310996.db2.gz TWLPZMNEJHXVIC-JTQLQIEISA-N 0 3 284.360 -1.033 20 0 CAADHN CC(=O)NCC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001439579221 891315597 /nfs/dbraw/zinc/31/55/97/891315597.db2.gz DTOZTJDVKGYRQC-SNVBAGLBSA-N 0 3 282.344 -1.361 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)Cc2nc[nH]n2)CC1 ZINC001439660518 891318456 /nfs/dbraw/zinc/31/84/56/891318456.db2.gz FQQVWQNNZNVZQI-UHFFFAOYSA-N 0 3 280.332 -1.326 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001439767219 891321180 /nfs/dbraw/zinc/32/11/80/891321180.db2.gz MXEDFJWSMWFSHU-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN Cn1ncc(CCC(=O)N2CCC[C@H]2CNCC(N)=O)n1 ZINC001439786740 891321216 /nfs/dbraw/zinc/32/12/16/891321216.db2.gz WPMGKVBTSUQHMV-NSHDSACASA-N 0 3 294.359 -1.186 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCC[C@H]2CNCC(N)=O)C1 ZINC001439768248 891321822 /nfs/dbraw/zinc/32/18/22/891321822.db2.gz PMEYKRIIJQJKQG-NSHDSACASA-N 0 3 282.344 -1.469 20 0 CAADHN CCOCC(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001439765450 891322950 /nfs/dbraw/zinc/32/29/50/891322950.db2.gz NNEYJANMOGLKKH-VIFPVBQESA-N 0 3 286.332 -1.202 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CO[C@H]1CCOC1 ZINC001439762552 891323015 /nfs/dbraw/zinc/32/30/15/891323015.db2.gz CJUYAHVBIGVKLY-MNOVXSKESA-N 0 3 285.344 -1.142 20 0 CAADHN COC[C@H](O)CN1CC(N(C)C(=O)C2=NC(=O)N(C)C2)C1 ZINC001439742488 891323968 /nfs/dbraw/zinc/32/39/68/891323968.db2.gz IVZMUCQRKGGJNI-SNVBAGLBSA-N 0 3 298.343 -1.111 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)CNC(=O)C1CC1 ZINC001439765115 891324098 /nfs/dbraw/zinc/32/40/98/891324098.db2.gz ISKVNWXLGTUUBR-JTQLQIEISA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CO[C@@H]1CCOC1 ZINC001439762551 891324906 /nfs/dbraw/zinc/32/49/06/891324906.db2.gz CJUYAHVBIGVKLY-GHMZBOCLSA-N 0 3 285.344 -1.142 20 0 CAADHN Cc1c(C(=O)NC[C@]2(O)CCN(CCO)C2)nnn1C ZINC001439969770 891325324 /nfs/dbraw/zinc/32/53/24/891325324.db2.gz AKFVJOSHZMJRHA-GFCCVEGCSA-N 0 3 283.332 -1.718 20 0 CAADHN C[C@@]1(NC(=O)CN2CCCNC2=O)CCN(CCO)C1 ZINC001439846289 891330263 /nfs/dbraw/zinc/33/02/63/891330263.db2.gz GYZVJWLYQLQUFC-CYBMUJFWSA-N 0 3 284.360 -1.025 20 0 CAADHN C[C@]1(NC(=O)CCNS(C)(=O)=O)CCN(CCO)C1 ZINC001439849176 891330817 /nfs/dbraw/zinc/33/08/17/891330817.db2.gz UEVVMTDHJRTGNV-NSHDSACASA-N 0 3 293.389 -1.501 20 0 CAADHN COc1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)on1 ZINC001439986772 891332214 /nfs/dbraw/zinc/33/22/14/891332214.db2.gz WYADUSASLFFOFA-LBPRGKRZSA-N 0 3 285.300 -1.158 20 0 CAADHN CCOc1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)[nH]n1 ZINC001439994584 891331716 /nfs/dbraw/zinc/33/17/16/891331716.db2.gz VFFKFXWXHBBPLX-ZDUSSCGKSA-N 0 3 298.343 -1.033 20 0 CAADHN O=C(CO[C@H]1CCOC1)NC[C@@]1(O)CCN(CCO)C1 ZINC001439994122 891331961 /nfs/dbraw/zinc/33/19/61/891331961.db2.gz TZJMDQGTRLKDKV-AAEUAGOBSA-N 0 3 288.344 -1.663 20 0 CAADHN CN(C)C1(C(=O)NC[C@]2(O)CCN(CC(N)=O)C2)CCC1 ZINC001439986814 891332732 /nfs/dbraw/zinc/33/27/32/891332732.db2.gz FEGZCSCSZQFYHF-CYBMUJFWSA-N 0 3 298.387 -1.491 20 0 CAADHN CCOc1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)[nH]n1 ZINC001439994578 891333626 /nfs/dbraw/zinc/33/36/26/891333626.db2.gz VFFKFXWXHBBPLX-CYBMUJFWSA-N 0 3 298.343 -1.033 20 0 CAADHN CCn1ncc(C(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001439993467 891333901 /nfs/dbraw/zinc/33/39/01/891333901.db2.gz PZSKNYRMROHOAW-LBPRGKRZSA-N 0 3 283.332 -1.543 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H]2COC(=O)N2)C1 ZINC001439981853 891335402 /nfs/dbraw/zinc/33/54/02/891335402.db2.gz ZXANFEDLRJFEDT-SKDRFNHKSA-N 0 3 287.316 -1.706 20 0 CAADHN CCN1C[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)CC1=O ZINC001439993592 891335955 /nfs/dbraw/zinc/33/59/55/891335955.db2.gz XXNHTJCKYXBYCS-FZMZJTMJSA-N 0 3 299.371 -1.600 20 0 CAADHN CCN1C[C@H](C(=O)NC[C@]2(O)CCN(CCO)C2)CC1=O ZINC001439993590 891336060 /nfs/dbraw/zinc/33/60/60/891336060.db2.gz XXNHTJCKYXBYCS-BXUZGUMPSA-N 0 3 299.371 -1.600 20 0 CAADHN CCNC(=O)CCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001439988194 891336760 /nfs/dbraw/zinc/33/67/60/891336760.db2.gz YBYXRGMNBGJSKN-CYBMUJFWSA-N 0 3 287.360 -1.552 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)[C@H]1CCC(=O)N1 ZINC001439985154 891337244 /nfs/dbraw/zinc/33/72/44/891337244.db2.gz SJVPXJUGFJHFNZ-SKDRFNHKSA-N 0 3 271.317 -2.190 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCO)C1)c1cnn2c1CCC2 ZINC001439993564 891337782 /nfs/dbraw/zinc/33/77/82/891337782.db2.gz XVEQAPXOBZYYMF-CQSZACIVSA-N 0 3 294.355 -1.012 20 0 CAADHN O=C(CO[C@@H]1CCOC1)NC[C@]1(O)CCN(CCO)C1 ZINC001439994123 891338217 /nfs/dbraw/zinc/33/82/17/891338217.db2.gz TZJMDQGTRLKDKV-DGCLKSJQSA-N 0 3 288.344 -1.663 20 0 CAADHN CNC(=O)CN1CC[C@@](O)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001440000109 891339407 /nfs/dbraw/zinc/33/94/07/891339407.db2.gz BJKIMLJXUGSRAN-CYBMUJFWSA-N 0 3 295.343 -1.749 20 0 CAADHN COCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001440019701 891341594 /nfs/dbraw/zinc/34/15/94/891341594.db2.gz HDAPKAXAPILIPT-GFCCVEGCSA-N 0 3 283.332 -1.453 20 0 CAADHN COCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001440019701 891341613 /nfs/dbraw/zinc/34/16/13/891341613.db2.gz HDAPKAXAPILIPT-GFCCVEGCSA-N 0 3 283.332 -1.453 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)Cn2cncn2)C1 ZINC001440018549 891342069 /nfs/dbraw/zinc/34/20/69/891342069.db2.gz BHYBGBJDLNRPHH-LBPRGKRZSA-N 0 3 283.332 -1.523 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NC[C@@]2(O)CCN(CCO)C2)c1 ZINC001440010968 891342207 /nfs/dbraw/zinc/34/22/07/891342207.db2.gz WIRVGBCBQBWLBZ-ZDUSSCGKSA-N 0 3 296.327 -1.728 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@@]2(O)CCN(CC(N)=O)C2)C1 ZINC001440017437 891342916 /nfs/dbraw/zinc/34/29/16/891342916.db2.gz QKHJWMURELIEHG-FZMZJTMJSA-N 0 3 298.387 -1.634 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@]2(O)CCN(CC(N)=O)C2)C1 ZINC001440017446 891343728 /nfs/dbraw/zinc/34/37/28/891343728.db2.gz QKHJWMURELIEHG-SMDDNHRTSA-N 0 3 298.387 -1.634 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCC1(O)CN(C[C@H](C)O)C1 ZINC001440085528 891353612 /nfs/dbraw/zinc/35/36/12/891353612.db2.gz HOJXVZJJVQMXGG-VIFPVBQESA-N 0 3 282.344 -1.196 20 0 CAADHN O=C(c1cnccn1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001440198501 891355456 /nfs/dbraw/zinc/35/54/56/891355456.db2.gz FPOVOABEUHRZGQ-SNVBAGLBSA-N 0 3 293.327 -1.611 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001440200899 891356524 /nfs/dbraw/zinc/35/65/24/891356524.db2.gz QRJAMSRSEQDSMD-RKDXNWHRSA-N 0 3 288.348 -2.205 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CNC(=O)N2)C[C@H]1NCC(=O)N(C)C ZINC001440148027 891356753 /nfs/dbraw/zinc/35/67/53/891356753.db2.gz MODTYUDHTGDPRU-KXUCPTDWSA-N 0 3 297.359 -1.808 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@@H]1CCCO1 ZINC001440198801 891357273 /nfs/dbraw/zinc/35/72/73/891357273.db2.gz HIDSGPKWZVQTIT-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@@H](O)CN1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 ZINC001440188743 891357320 /nfs/dbraw/zinc/35/73/20/891357320.db2.gz DDQHKSYWQCDIBD-DGCLKSJQSA-N 0 3 297.359 -1.398 20 0 CAADHN Cc1ocnc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001440199575 891357367 /nfs/dbraw/zinc/35/73/67/891357367.db2.gz KNBUBNWNZPRDAX-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN C[C@H](O)CN1CCC[C@@](CO)(NC(=O)Cn2cncn2)C1 ZINC001440188747 891358016 /nfs/dbraw/zinc/35/80/16/891358016.db2.gz DDQHKSYWQCDIBD-WCQYABFASA-N 0 3 297.359 -1.398 20 0 CAADHN CNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001440116819 891358917 /nfs/dbraw/zinc/35/89/17/891358917.db2.gz OPWUIRLTTVSBPI-IUCAKERBSA-N 0 3 280.332 -1.009 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@H]1CCCO1 ZINC001440198802 891359178 /nfs/dbraw/zinc/35/91/78/891359178.db2.gz HIDSGPKWZVQTIT-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)[C@H]1CCCO1 ZINC001440198798 891359645 /nfs/dbraw/zinc/35/96/45/891359645.db2.gz HIDSGPKWZVQTIT-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CCn1cc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)cn1 ZINC001440201156 891360111 /nfs/dbraw/zinc/36/01/11/891360111.db2.gz PYTWZIYTZQPLLX-SNVBAGLBSA-N 0 3 297.359 -1.199 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1nnn(C)n1)C(N)=O ZINC001440207534 891360419 /nfs/dbraw/zinc/36/04/19/891360419.db2.gz OROYYJLXOZJXTD-MRVPVSSYSA-N 0 3 299.335 -2.502 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1nnn(C)n1)C(N)=O ZINC001440207546 891360955 /nfs/dbraw/zinc/36/09/55/891360955.db2.gz OROYYJLXOZJXTD-QMMMGPOBSA-N 0 3 299.335 -2.502 20 0 CAADHN O=C(C1=COCCO1)N(CCO)CCN[C@H]1CCNC1=O ZINC001440202117 891361561 /nfs/dbraw/zinc/36/15/61/891361561.db2.gz VVDTWBZJPJISQF-JTQLQIEISA-N 0 3 299.327 -1.826 20 0 CAADHN CCn1cc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)nn1 ZINC001440203934 891361755 /nfs/dbraw/zinc/36/17/55/891361755.db2.gz GEKFNENEVQLUIS-VIFPVBQESA-N 0 3 298.347 -1.804 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001440209935 891361845 /nfs/dbraw/zinc/36/18/45/891361845.db2.gz WYNVRVIODWXNBP-UTLUCORTSA-N 0 3 298.343 -2.593 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@H]1COCCO1)C(N)=O ZINC001440204431 891362004 /nfs/dbraw/zinc/36/20/04/891362004.db2.gz ZUXJHRYMNVUKAN-VHSXEESVSA-N 0 3 289.332 -2.314 20 0 CAADHN O=C(c1cnon1)N(CCO)CCN[C@H]1CCCNC1=O ZINC001440204770 891362252 /nfs/dbraw/zinc/36/22/52/891362252.db2.gz ITGONKQOBPONRM-VIFPVBQESA-N 0 3 297.315 -1.628 20 0 CAADHN CNC(=O)NC(=O)CNC1(CNC(=O)COC)CCC1 ZINC001440284212 891364939 /nfs/dbraw/zinc/36/49/39/891364939.db2.gz VNUHZOWSEIGVGN-UHFFFAOYSA-N 0 3 286.332 -1.283 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1)C(N)=O ZINC001440359967 891365962 /nfs/dbraw/zinc/36/59/62/891365962.db2.gz HXBQTFYJPUJCGZ-MWLCHTKSSA-N 0 3 295.343 -1.276 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)COC)CCO1 ZINC001440361891 891366419 /nfs/dbraw/zinc/36/64/19/891366419.db2.gz XVKDSSUDAXEBSA-UWVGGRQHSA-N 0 3 273.333 -1.416 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)[C@H]2C[C@H]2C(N)=O)CCC1 ZINC001440335719 891366471 /nfs/dbraw/zinc/36/64/71/891366471.db2.gz CTNBWZZVMPIWCA-ZJUUUORDSA-N 0 3 296.371 -1.176 20 0 CAADHN Cn1cccc1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001440363648 891367111 /nfs/dbraw/zinc/36/71/11/891367111.db2.gz QPTJYNMOVIPUMB-JTQLQIEISA-N 0 3 280.328 -1.059 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cnn(C)c2)CCO1)C(N)=O ZINC001440359942 891367193 /nfs/dbraw/zinc/36/71/93/891367193.db2.gz HXBQTFYJPUJCGZ-GXSJLCMTSA-N 0 3 295.343 -1.276 20 0 CAADHN CN1CC[C@H](C(=O)NCC2(NCC(N)=O)CCC2)CC1=O ZINC001440311304 891367377 /nfs/dbraw/zinc/36/73/77/891367377.db2.gz CUBZSMIWQWRVMK-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)C2=CCOCC2)CCO1 ZINC001440388202 891369087 /nfs/dbraw/zinc/36/90/87/891369087.db2.gz WARYYGMLXRJODZ-GFCCVEGCSA-N 0 3 297.355 -1.104 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)C1 ZINC001440385145 891369133 /nfs/dbraw/zinc/36/91/33/891369133.db2.gz RLQOHLLHLFBEPK-NSHDSACASA-N 0 3 298.343 -2.233 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2[nH]cnc2C)CCO1 ZINC001440390506 891369422 /nfs/dbraw/zinc/36/94/22/891369422.db2.gz CLHFZJPNVDVMIZ-SNVBAGLBSA-N 0 3 295.343 -1.105 20 0 CAADHN Cn1ccc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)c1 ZINC001440383360 891369647 /nfs/dbraw/zinc/36/96/47/891369647.db2.gz RNXUJENHZGUDQJ-LLVKDONJSA-N 0 3 280.328 -1.059 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2n[nH]cc2F)CCO1)C(N)=O ZINC001440386258 891369696 /nfs/dbraw/zinc/36/96/96/891369696.db2.gz UIJJSUPVBXBUBO-SFYZADRCSA-N 0 3 299.306 -1.147 20 0 CAADHN CC[C@@H](OC)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001440364759 891370731 /nfs/dbraw/zinc/37/07/31/891370731.db2.gz BMNNJBGWJLYZOC-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CO[C@H](C)CC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001440384361 891371105 /nfs/dbraw/zinc/37/11/05/891371105.db2.gz UUWIXTPPNWCRMU-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN Cn1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)nn1 ZINC001440381555 891371528 /nfs/dbraw/zinc/37/15/28/891371528.db2.gz NOAWNLWCDNKMPF-MRVPVSSYSA-N 0 3 282.304 -2.269 20 0 CAADHN Cn1ccc(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)c1 ZINC001440383364 891371660 /nfs/dbraw/zinc/37/16/60/891371660.db2.gz RNXUJENHZGUDQJ-NSHDSACASA-N 0 3 280.328 -1.059 20 0 CAADHN CNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2nnc[n-]2)C1 ZINC001440373452 891371816 /nfs/dbraw/zinc/37/18/16/891371816.db2.gz LAGMGJUJOPBRGD-KYZUINATSA-N 0 3 280.332 -1.422 20 0 CAADHN COc1cc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)on1 ZINC001440368017 891372134 /nfs/dbraw/zinc/37/21/34/891372134.db2.gz DOYOMWUUQIBXCT-MRVPVSSYSA-N 0 3 298.299 -1.401 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C ZINC001440588194 891376425 /nfs/dbraw/zinc/37/64/25/891376425.db2.gz OUFMOCIFAHPXGS-IUCAKERBSA-N 0 3 280.332 -1.389 20 0 CAADHN CO[C@@H](C)CC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001440625755 891376859 /nfs/dbraw/zinc/37/68/59/891376859.db2.gz FNMNGVQYHWAGFJ-JTQLQIEISA-N 0 3 287.360 -1.160 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C ZINC001440588189 891377138 /nfs/dbraw/zinc/37/71/38/891377138.db2.gz OUFMOCIFAHPXGS-DTWKUNHWSA-N 0 3 280.332 -1.389 20 0 CAADHN CO[C@H](C)CC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001440625757 891377190 /nfs/dbraw/zinc/37/71/90/891377190.db2.gz FNMNGVQYHWAGFJ-SNVBAGLBSA-N 0 3 287.360 -1.160 20 0 CAADHN O=C(Cn1ncnn1)NC1(CO)CCN(CCO)CC1 ZINC001440695537 891377582 /nfs/dbraw/zinc/37/75/82/891377582.db2.gz GQROMYGQKMWJEI-UHFFFAOYSA-N 0 3 284.320 -2.392 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001440622790 891377898 /nfs/dbraw/zinc/37/78/98/891377898.db2.gz HSHSOZIYCATZAT-QMMMGPOBSA-N 0 3 299.331 -2.904 20 0 CAADHN COCC(=O)N1C[C@H](NCC(=O)NC(N)=O)[C@@H](C)C1 ZINC001440590250 891378262 /nfs/dbraw/zinc/37/82/62/891378262.db2.gz KOBNNTJJLJUXES-YUMQZZPRSA-N 0 3 272.305 -1.736 20 0 CAADHN CN1CCN(CCCNC(=O)Cn2nnc(N)n2)CC1 ZINC001440648484 891378350 /nfs/dbraw/zinc/37/83/50/891378350.db2.gz UYIDPOVWKMYFPK-UHFFFAOYSA-N 0 3 282.352 -1.991 20 0 CAADHN CNC(=O)C[NH2+][C@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@H]1C ZINC001440611329 891378541 /nfs/dbraw/zinc/37/85/41/891378541.db2.gz ZXCGMRBZBGSSNT-SCZZXKLOSA-N 0 3 293.327 -1.022 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2cc[nH]n2)CC1 ZINC001440629217 891378739 /nfs/dbraw/zinc/37/87/39/891378739.db2.gz RACZUAZZLFRCSC-UHFFFAOYSA-N 0 3 281.316 -1.548 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1C ZINC001440586342 891379070 /nfs/dbraw/zinc/37/90/70/891379070.db2.gz DRZLXSSSPIABHZ-ONGXEEELSA-N 0 3 296.371 -1.305 20 0 CAADHN Cn1cnc(C(=O)NC2(CO)CCN(CCCO)CC2)n1 ZINC001440696467 891379185 /nfs/dbraw/zinc/37/91/85/891379185.db2.gz MGFDPONCXTYILR-UHFFFAOYSA-N 0 3 297.359 -1.246 20 0 CAADHN COCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)NC(N)=O)C1 ZINC001440590248 891379225 /nfs/dbraw/zinc/37/92/25/891379225.db2.gz KOBNNTJJLJUXES-SFYZADRCSA-N 0 3 272.305 -1.736 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2cnon2)CC1 ZINC001440637227 891379257 /nfs/dbraw/zinc/37/92/57/891379257.db2.gz SKYADXQRNMWOHX-UHFFFAOYSA-N 0 3 283.288 -1.888 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@@H]1C ZINC001440586332 891379483 /nfs/dbraw/zinc/37/94/83/891379483.db2.gz DRZLXSSSPIABHZ-GXSJLCMTSA-N 0 3 296.371 -1.305 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001440587598 891379518 /nfs/dbraw/zinc/37/95/18/891379518.db2.gz HDDLVFBKDMLTSW-ZJUUUORDSA-N 0 3 295.347 -1.754 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cn[nH]c1 ZINC001440785514 891380218 /nfs/dbraw/zinc/38/02/18/891380218.db2.gz PTNOWZRKMXJWMZ-YUMQZZPRSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@@H](NC(=O)Cn1ncnn1)[C@H](C)NCC(=O)NC1CC1 ZINC001440785008 891380388 /nfs/dbraw/zinc/38/03/88/891380388.db2.gz JTLPDADOXMAMOJ-DTWKUNHWSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cocn1 ZINC001440780000 891380423 /nfs/dbraw/zinc/38/04/23/891380423.db2.gz RIODXXRCNZXJQE-BQBZGAKWSA-N 0 3 283.288 -1.034 20 0 CAADHN C[C@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)Cn1ncnn1 ZINC001440785011 891380592 /nfs/dbraw/zinc/38/05/92/891380592.db2.gz JTLPDADOXMAMOJ-IUCAKERBSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@@H](NCC(=O)NC1CC1)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001440785014 891380650 /nfs/dbraw/zinc/38/06/50/891380650.db2.gz JTLPDADOXMAMOJ-RKDXNWHRSA-N 0 3 295.347 -1.566 20 0 CAADHN C[C@@H](NC(=O)c1cocn1)[C@H](C)NCC(=O)NC(N)=O ZINC001440780003 891381130 /nfs/dbraw/zinc/38/11/30/891381130.db2.gz RIODXXRCNZXJQE-NKWVEPMBSA-N 0 3 283.288 -1.034 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001440801390 891381203 /nfs/dbraw/zinc/38/12/03/891381203.db2.gz GIVWRFGPOMWYFX-UWVGGRQHSA-N 0 3 299.375 -2.272 20 0 CAADHN C[C@@H](NC[C@@H]1CCCCN1C(=O)Cn1ncnn1)C(N)=O ZINC001440716335 891381459 /nfs/dbraw/zinc/38/14/59/891381459.db2.gz DYVHWAFSCKUWFJ-ZJUUUORDSA-N 0 3 295.347 -1.482 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cn[nH]c1 ZINC001440785508 891381808 /nfs/dbraw/zinc/38/18/08/891381808.db2.gz PTNOWZRKMXJWMZ-JGVFFNPUSA-N 0 3 296.331 -1.038 20 0 CAADHN Cc1nc(CN[C@H](C)[C@H](C)NC(=O)Cn2cnnn2)n[nH]1 ZINC001440780838 891382186 /nfs/dbraw/zinc/38/21/86/891382186.db2.gz JXOLXBFQKRWZGT-SFYZADRCSA-N 0 3 293.335 -1.217 20 0 CAADHN CCNC(=O)CCC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001440779886 891382443 /nfs/dbraw/zinc/38/24/43/891382443.db2.gz RBSRUOXJIAZVAF-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@H](NC[C@@H]1CCCCN1C(=O)Cn1ncnn1)C(N)=O ZINC001440716309 891382850 /nfs/dbraw/zinc/38/28/50/891382850.db2.gz DYVHWAFSCKUWFJ-UWVGGRQHSA-N 0 3 295.347 -1.482 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1cocn1 ZINC001440780005 891382877 /nfs/dbraw/zinc/38/28/77/891382877.db2.gz RIODXXRCNZXJQE-RNFRBKRXSA-N 0 3 283.288 -1.034 20 0 CAADHN COC(=O)NCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001440699506 891383632 /nfs/dbraw/zinc/38/36/32/891383632.db2.gz UZJLVQFCTJZUPK-UHFFFAOYSA-N 0 3 289.332 -1.722 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)Cn1cnnn1 ZINC001440902675 891384329 /nfs/dbraw/zinc/38/43/29/891384329.db2.gz SNQCGNZDAHUSJV-ZJUUUORDSA-N 0 3 286.336 -1.883 20 0 CAADHN CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1nnc[n-]1 ZINC001440838012 891384437 /nfs/dbraw/zinc/38/44/37/891384437.db2.gz JZAUTHHRPYDDAR-DTWKUNHWSA-N 0 3 282.348 -1.034 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@@H](C)[C@H](C)NCC(N)=O ZINC001440859836 891384474 /nfs/dbraw/zinc/38/44/74/891384474.db2.gz ORGSEFJHZHLSQF-IUCAKERBSA-N 0 3 293.389 -1.221 20 0 CAADHN CCCS(=O)(=O)CC(=O)N[C@H](C)[C@@H](C)NCC(N)=O ZINC001440859838 891384595 /nfs/dbraw/zinc/38/45/95/891384595.db2.gz ORGSEFJHZHLSQF-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001440862424 891385160 /nfs/dbraw/zinc/38/51/60/891385160.db2.gz SJPUXLSASBFGQD-SFYZADRCSA-N 0 3 283.332 -1.695 20 0 CAADHN C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@H](C)NCC(N)=O ZINC001440842564 891385315 /nfs/dbraw/zinc/38/53/15/891385315.db2.gz GZGOQWFQMHAAAG-JGVFFNPUSA-N 0 3 293.389 -1.222 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001440842569 891385404 /nfs/dbraw/zinc/38/54/04/891385404.db2.gz GZGOQWFQMHAAAG-YUMQZZPRSA-N 0 3 293.389 -1.222 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001440862426 891386044 /nfs/dbraw/zinc/38/60/44/891386044.db2.gz SJPUXLSASBFGQD-YUMQZZPRSA-N 0 3 283.332 -1.695 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001440806141 891386268 /nfs/dbraw/zinc/38/62/68/891386268.db2.gz RCWCHTCBFQNGKM-SFYZADRCSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](NCc1nnnn1C)[C@@H](C)NC(=O)c1nc[nH]n1 ZINC001440835612 891386952 /nfs/dbraw/zinc/38/69/52/891386952.db2.gz JCSXUDAUJNHZBY-RNFRBKRXSA-N 0 3 279.308 -1.375 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CCNC(N)=O ZINC001440860670 891387212 /nfs/dbraw/zinc/38/72/12/891387212.db2.gz LMHJGXBGZLTFHS-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN CN(C)CCn1nccc1C(=O)NC(C(N)=O)C(N)=O ZINC001440862034 891387893 /nfs/dbraw/zinc/38/78/93/891387893.db2.gz IEMHZUKEHCBTRG-UHFFFAOYSA-N 0 3 282.304 -2.486 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1ccc2nnnn2c1 ZINC001440806144 891388579 /nfs/dbraw/zinc/38/85/79/891388579.db2.gz RCWCHTCBFQNGKM-YUMQZZPRSA-N 0 3 291.315 -1.294 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001440824707 891389019 /nfs/dbraw/zinc/38/90/19/891389019.db2.gz YTVBMSSLAFNKAF-RKDXNWHRSA-N 0 3 297.363 -1.215 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@H](C)N(C)CCO ZINC001440958584 891392785 /nfs/dbraw/zinc/39/27/85/891392785.db2.gz VOGOFDKVTGVCIE-QMMMGPOBSA-N 0 3 282.366 -2.531 20 0 CAADHN Cc1nc(CC(=O)NC[C@H](C)N(C)[C@@H]2CCNC2=O)n[nH]1 ZINC001440917251 891393669 /nfs/dbraw/zinc/39/36/69/891393669.db2.gz KKCFNVPPCTWMPY-WCBMZHEXSA-N 0 3 294.359 -1.019 20 0 CAADHN C[C@H](CNC(=O)CN1CCNC(=O)C1)N(C)CCO ZINC001440950416 891394570 /nfs/dbraw/zinc/39/45/70/891394570.db2.gz DWGGXLGAUHRRNI-SNVBAGLBSA-N 0 3 272.349 -2.153 20 0 CAADHN Cc1nc(CC(=O)NC[C@@H](C)N(C)[C@H]2CCNC2=O)n[nH]1 ZINC001440917248 891395179 /nfs/dbraw/zinc/39/51/79/891395179.db2.gz KKCFNVPPCTWMPY-SCZZXKLOSA-N 0 3 294.359 -1.019 20 0 CAADHN NC(=O)c1ncn(CC(=O)NC[C@H](NCCF)C2CC2)n1 ZINC001441188064 891403281 /nfs/dbraw/zinc/40/32/81/891403281.db2.gz AMYWPIVRGSUKGT-VIFPVBQESA-N 0 3 298.322 -1.169 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](N[C@H]2CCNC2=O)C2CC2)n1 ZINC001441211306 891403295 /nfs/dbraw/zinc/40/32/95/891403295.db2.gz MPKGZQQGFVRKKX-UWVGGRQHSA-N 0 3 292.343 -1.198 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)Cn1cnnn1)C1CC1)C(N)=O ZINC001441175767 891403483 /nfs/dbraw/zinc/40/34/83/891403483.db2.gz SSVRUFREIGJHDB-VXNVDRBHSA-N 0 3 281.320 -1.969 20 0 CAADHN C[C@@H](C(=O)NC[C@H](NCC(N)=O)C1CC1)n1cncn1 ZINC001441180705 891404376 /nfs/dbraw/zinc/40/43/76/891404376.db2.gz RVWVXWRNMVZDHD-WPRPVWTQSA-N 0 3 280.332 -1.191 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](CNC(=O)Cn1ncnn1)C1CC1 ZINC001441196952 891404440 /nfs/dbraw/zinc/40/44/40/891404440.db2.gz PGWFPHQUYHGPIV-WCBMZHEXSA-N 0 3 295.347 -1.708 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001441170415 891404852 /nfs/dbraw/zinc/40/48/52/891404852.db2.gz BFXRUWDPBKBEQT-MNOVXSKESA-N 0 3 296.371 -1.115 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)Cn1cnnn1)C1CC1 ZINC001441171596 891405489 /nfs/dbraw/zinc/40/54/89/891405489.db2.gz NRRFRLNWKNBPNE-SNVBAGLBSA-N 0 3 295.347 -1.706 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)CNC(=O)C1CC1)C1CC1 ZINC001441167620 891405506 /nfs/dbraw/zinc/40/55/06/891405506.db2.gz KZHRMDIJEZYILU-SNVBAGLBSA-N 0 3 282.344 -1.518 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H]1CN(C(=O)COC)CCO1 ZINC001441306320 891406214 /nfs/dbraw/zinc/40/62/14/891406214.db2.gz APSOHIYSVWCFKC-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)CNC(C)=O)[C@@H]2C1 ZINC001441275678 891406625 /nfs/dbraw/zinc/40/66/25/891406625.db2.gz QIGWNIHROCVFDW-WISYIIOYSA-N 0 3 296.371 -1.320 20 0 CAADHN Cn1ncc(CCC(=O)NC[C@@H](NCC(N)=O)C2CC2)n1 ZINC001441224804 891407142 /nfs/dbraw/zinc/40/71/42/891407142.db2.gz LUYZJPPRXUVZOO-LLVKDONJSA-N 0 3 294.359 -1.283 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001441318162 891407392 /nfs/dbraw/zinc/40/73/92/891407392.db2.gz PDCHMUCNXDJZPY-KOLCDFICSA-N 0 3 295.343 -1.025 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)CCNC(N)=O)C1CC1 ZINC001441265372 891407445 /nfs/dbraw/zinc/40/74/45/891407445.db2.gz DGNSRUMFHSDKDQ-JTQLQIEISA-N 0 3 299.375 -1.383 20 0 CAADHN C[C@H](N[C@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1)C(N)=O ZINC001441247060 891407753 /nfs/dbraw/zinc/40/77/53/891407753.db2.gz MBDYLVIDHFHSEJ-IONNQARKSA-N 0 3 293.327 -1.258 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1)C(N)=O ZINC001441247058 891408297 /nfs/dbraw/zinc/40/82/97/891408297.db2.gz MBDYLVIDHFHSEJ-CBAPKCEASA-N 0 3 293.327 -1.258 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001441339840 891408571 /nfs/dbraw/zinc/40/85/71/891408571.db2.gz LIJNMUGKJXJXHY-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC[C@@H](NCCF)C1CC1 ZINC001441237214 891408607 /nfs/dbraw/zinc/40/86/07/891408607.db2.gz ZLHDWVKGUBNYKM-LLVKDONJSA-N 0 3 286.351 -1.128 20 0 CAADHN Cc1n[nH]cc1C(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001441348489 891409610 /nfs/dbraw/zinc/40/96/10/891409610.db2.gz PUTPRHXTHUPVGS-QMMMGPOBSA-N 0 3 294.315 -1.283 20 0 CAADHN CN(C)C(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001441382255 891409910 /nfs/dbraw/zinc/40/99/10/891409910.db2.gz YWHPOPDUOFDCII-MGCOHNPYSA-N 0 3 294.359 -1.080 20 0 CAADHN COCC(=O)N[C@H]1C[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001441370847 891410249 /nfs/dbraw/zinc/41/02/49/891410249.db2.gz RMVAJUDLWNQDLR-MGCOHNPYSA-N 0 3 298.343 -2.172 20 0 CAADHN CN(C(=O)c1nccnc1N)[C@@H](CNCC(N)=O)C1CC1 ZINC001441428223 891412571 /nfs/dbraw/zinc/41/25/71/891412571.db2.gz AYOBHPUAXOEXBP-VIFPVBQESA-N 0 3 292.343 -1.016 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001441485726 891412664 /nfs/dbraw/zinc/41/26/64/891412664.db2.gz IQOXHYSIYJKASE-DTWKUNHWSA-N 0 3 283.336 -1.756 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001441428917 891412685 /nfs/dbraw/zinc/41/26/85/891412685.db2.gz WGKYWQNJQGLAFQ-NEPJUHHUSA-N 0 3 296.371 -1.162 20 0 CAADHN COC(=O)NCC(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001441475160 891412711 /nfs/dbraw/zinc/41/27/11/891412711.db2.gz SHUUXNNBKBKMCE-DTORHVGOSA-N 0 3 296.331 -1.092 20 0 CAADHN CN(C(=O)[C@H]1CCCC(=O)N1)[C@@H](CNCC(N)=O)C1CC1 ZINC001441434599 891412888 /nfs/dbraw/zinc/41/28/88/891412888.db2.gz AXIIGCBDRBNWIJ-MNOVXSKESA-N 0 3 296.371 -1.033 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001441428918 891414001 /nfs/dbraw/zinc/41/40/01/891414001.db2.gz WGKYWQNJQGLAFQ-NWDGAFQWSA-N 0 3 296.371 -1.162 20 0 CAADHN COCC(=O)N[C@H]1C[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001441463044 891414479 /nfs/dbraw/zinc/41/44/79/891414479.db2.gz RMVAJUDLWNQDLR-AOOOYVTPSA-N 0 3 298.343 -2.172 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1COCCO1 ZINC001441441933 891414565 /nfs/dbraw/zinc/41/45/65/891414565.db2.gz RQBXCDFNIQNRLK-NWDGAFQWSA-N 0 3 299.371 -1.026 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001441485740 891414607 /nfs/dbraw/zinc/41/46/07/891414607.db2.gz IQOXHYSIYJKASE-RKDXNWHRSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncnn1)N[C@H]1CCCNC1=O ZINC001441517161 891415425 /nfs/dbraw/zinc/41/54/25/891415425.db2.gz CHRYJWAPVXAUBD-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCOCC1)NCC(N)=O ZINC001441509489 891415771 /nfs/dbraw/zinc/41/57/71/891415771.db2.gz HTVHCCKNXRUART-SNVBAGLBSA-N 0 3 272.349 -1.760 20 0 CAADHN C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)N[C@@H](C)C(N)=O ZINC001441520086 891415868 /nfs/dbraw/zinc/41/58/68/891415868.db2.gz BAMDAJRSSPCUJF-YUMQZZPRSA-N 0 3 291.373 -1.659 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncnn1)N[C@@H]1CCCNC1=O ZINC001441517165 891416134 /nfs/dbraw/zinc/41/61/34/891416134.db2.gz CHRYJWAPVXAUBD-VHSXEESVSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NCC(N)=O ZINC001441532291 891416325 /nfs/dbraw/zinc/41/63/25/891416325.db2.gz FLMSUXOHBINBNU-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001441565274 891416452 /nfs/dbraw/zinc/41/64/52/891416452.db2.gz CJDHIQDDMGBORJ-SFYZADRCSA-N 0 3 283.336 -1.605 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001441517922 891416523 /nfs/dbraw/zinc/41/65/23/891416523.db2.gz PHIKIXMRJSYITQ-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NCC(N)=O ZINC001441531338 891416602 /nfs/dbraw/zinc/41/66/02/891416602.db2.gz FLMSUXOHBINBNU-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](C)N[C@@H]1CCCNC1=O ZINC001441520850 891416680 /nfs/dbraw/zinc/41/66/80/891416680.db2.gz JYIXOARYISKREQ-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)NCCF ZINC001441565072 891416760 /nfs/dbraw/zinc/41/67/60/891416760.db2.gz VDLHRXOAXHUERT-VIFPVBQESA-N 0 3 273.312 -1.012 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ncnn1)N[C@@H]1CCCNC1=O ZINC001441517157 891417566 /nfs/dbraw/zinc/41/75/66/891417566.db2.gz CHRYJWAPVXAUBD-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1COC(=O)N1 ZINC001441517931 891417838 /nfs/dbraw/zinc/41/78/38/891417838.db2.gz PHIKIXMRJSYITQ-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)NCC(N)=O ZINC001441529408 891417612 /nfs/dbraw/zinc/41/76/12/891417612.db2.gz OBCKSQIGKPEGJK-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](CN(C)C(=O)CN1CCCCC1=O)NCC(N)=O ZINC001441544233 891417753 /nfs/dbraw/zinc/41/77/53/891417753.db2.gz HCZXALWRNABGLG-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)NCC(=O)N1CCC1 ZINC001441603878 891418787 /nfs/dbraw/zinc/41/87/87/891418787.db2.gz YNENDBBELASZDV-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)N[C@@H](C)C(N)=O ZINC001441647249 891419584 /nfs/dbraw/zinc/41/95/84/891419584.db2.gz QZZJXLWFCZKCCD-IUCAKERBSA-N 0 3 295.343 -1.296 20 0 CAADHN CC(=O)NC[C@@H](CO)NC[C@H](O)CN1CCCC1=O ZINC001441651823 891419944 /nfs/dbraw/zinc/41/99/44/891419944.db2.gz IQFULBMASYTHHF-QWRGUYRKSA-N 0 3 273.333 -1.944 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)NCC(=O)N(C)C ZINC001441600307 891420135 /nfs/dbraw/zinc/42/01/35/891420135.db2.gz XLJAGFUNFKNGTH-NXEZZACHSA-N 0 3 299.375 -1.465 20 0 CAADHN CC[C@H](N[C@@H](C)CN(C)C(=O)CCNC(N)=O)C(N)=O ZINC001441632668 891420816 /nfs/dbraw/zinc/42/08/16/891420816.db2.gz CBYDSDZQBMMEAE-IUCAKERBSA-N 0 3 287.364 -1.255 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)c1cnn(C)n1 ZINC001441607734 891420967 /nfs/dbraw/zinc/42/09/67/891420967.db2.gz SNKHLZKWXRSFJM-DTWKUNHWSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)NCC(=O)N1CCC1 ZINC001441603886 891421093 /nfs/dbraw/zinc/42/10/93/891421093.db2.gz YNENDBBELASZDV-ZJUUUORDSA-N 0 3 297.359 -1.663 20 0 CAADHN CC(=O)NC[C@H](CO)NC[C@H]1CCCS(=O)(=O)C1 ZINC001441657428 891421132 /nfs/dbraw/zinc/42/11/32/891421132.db2.gz QNRSBJQOLMBTCP-GHMZBOCLSA-N 0 3 278.374 -1.102 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001441647505 891421147 /nfs/dbraw/zinc/42/11/47/891421147.db2.gz AECWJKNJOVDJNY-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN CC[C@H](N[C@H](C)CN(C)C(=O)CCNC(N)=O)C(N)=O ZINC001441632661 891421310 /nfs/dbraw/zinc/42/13/10/891421310.db2.gz CBYDSDZQBMMEAE-BDAKNGLRSA-N 0 3 287.364 -1.255 20 0 CAADHN CC[C@@H](N[C@@H](C)CN(C)C(=O)CCNC(N)=O)C(N)=O ZINC001441632665 891421545 /nfs/dbraw/zinc/42/15/45/891421545.db2.gz CBYDSDZQBMMEAE-DTWKUNHWSA-N 0 3 287.364 -1.255 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCNC1=O)c1ncc[nH]1 ZINC001441701219 891432804 /nfs/dbraw/zinc/43/28/04/891432804.db2.gz HZEMNCKYVFUJTI-VIFPVBQESA-N 0 3 296.331 -1.885 20 0 CAADHN C[C@@H](N[C@H](CO)CNC(=O)CCc1c[nH]cn1)C(N)=O ZINC001441705136 891432915 /nfs/dbraw/zinc/43/29/15/891432915.db2.gz KYSKHPZCSZSTSE-SCZZXKLOSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@@H](N[C@H](CO)CNC(=O)CCc1cnc[nH]1)C(N)=O ZINC001441705136 891432921 /nfs/dbraw/zinc/43/29/21/891432921.db2.gz KYSKHPZCSZSTSE-SCZZXKLOSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@@H](N[C@@H](CO)CNC(=O)CCc1c[nH]cn1)C(N)=O ZINC001441705021 891434682 /nfs/dbraw/zinc/43/46/82/891434682.db2.gz KYSKHPZCSZSTSE-PSASIEDQSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@@H](N[C@@H](CO)CNC(=O)CCc1cnc[nH]1)C(N)=O ZINC001441705021 891434691 /nfs/dbraw/zinc/43/46/91/891434691.db2.gz KYSKHPZCSZSTSE-PSASIEDQSA-N 0 3 283.332 -1.717 20 0 CAADHN COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001441702670 891435089 /nfs/dbraw/zinc/43/50/89/891435089.db2.gz BESRPHATHKHCSY-DTWKUNHWSA-N 0 3 284.316 -1.103 20 0 CAADHN COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)c1cnc[n-]c1=O ZINC001441702677 891435101 /nfs/dbraw/zinc/43/51/01/891435101.db2.gz BESRPHATHKHCSY-RKDXNWHRSA-N 0 3 284.316 -1.103 20 0 CAADHN C[C@H](O)CN[C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001441708075 891436226 /nfs/dbraw/zinc/43/62/26/891436226.db2.gz QTMPTZLEMNLEQT-CBAPKCEASA-N 0 3 280.346 -2.522 20 0 CAADHN C[C@@H](O)CN[C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001441708080 891436538 /nfs/dbraw/zinc/43/65/38/891436538.db2.gz QTMPTZLEMNLEQT-VXNVDRBHSA-N 0 3 280.346 -2.522 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)NCC(=O)N1CCC1 ZINC001441754203 891445241 /nfs/dbraw/zinc/44/52/41/891445241.db2.gz HWYKMYGCENUUQA-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cnccn1)C(=O)NC(N)=O ZINC001441760339 891446703 /nfs/dbraw/zinc/44/67/03/891446703.db2.gz NNWKBXGIYXPEIL-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cn[nH]c1 ZINC001441766853 891446824 /nfs/dbraw/zinc/44/68/24/891446824.db2.gz INTXGHRHLGONMP-SFYZADRCSA-N 0 3 296.331 -1.038 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)NCC(=O)N(C)C ZINC001441765067 891446853 /nfs/dbraw/zinc/44/68/53/891446853.db2.gz GQZCXQSPSYSQLB-MRVPVSSYSA-N 0 3 274.321 -1.475 20 0 CAADHN O=C(NC[C@@H](CO)NCCO)C1CCS(=O)(=O)CC1 ZINC001441759170 891447609 /nfs/dbraw/zinc/44/76/09/891447609.db2.gz MGNBYXLPAQKCJH-JTQLQIEISA-N 0 3 294.373 -2.130 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)C1CC1)N[C@H]1CCCNC1=O ZINC001441766946 891448196 /nfs/dbraw/zinc/44/81/96/891448196.db2.gz JGKCJOWCSAWCMF-KOLCDFICSA-N 0 3 296.371 -1.115 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](C)NCC(=O)N(C)C ZINC001441765075 891448360 /nfs/dbraw/zinc/44/83/60/891448360.db2.gz GQZCXQSPSYSQLB-QMMMGPOBSA-N 0 3 274.321 -1.475 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cn[nH]c1 ZINC001441766850 891448413 /nfs/dbraw/zinc/44/84/13/891448413.db2.gz INTXGHRHLGONMP-JGVFFNPUSA-N 0 3 296.331 -1.038 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NCc1nnn(C)n1)N(C)C ZINC001441756497 891448648 /nfs/dbraw/zinc/44/86/48/891448648.db2.gz SXSKKYRLTTZKNJ-ZJUUUORDSA-N 0 3 299.379 -1.883 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](C)N[C@@H]1CCCNC1=O ZINC001441757166 891448707 /nfs/dbraw/zinc/44/87/07/891448707.db2.gz CWIINMKGSUIRBY-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCCN(C)C1=O ZINC001441761484 891448848 /nfs/dbraw/zinc/44/88/48/891448848.db2.gz QJXFHJMBTQFTSV-ONGXEEELSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNC(=O)c1ccnn1C)N[C@H](C)C(=O)NC(N)=O ZINC001441775882 891450609 /nfs/dbraw/zinc/45/06/09/891450609.db2.gz DESFNABFYNFDEG-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN Cn1cc(CN[C@H](CO)CNC(=O)c2nnc[nH]2)cn1 ZINC001441773699 891450660 /nfs/dbraw/zinc/45/06/60/891450660.db2.gz ZEUUBEQPNKCHOS-VIFPVBQESA-N 0 3 279.304 -1.581 20 0 CAADHN C[C@H](CNC(=O)C1=CCOCC1)NCC(=O)NC(N)=O ZINC001441790112 891450729 /nfs/dbraw/zinc/45/07/29/891450729.db2.gz DJURTUDRLJLLQL-MRVPVSSYSA-N 0 3 284.316 -1.378 20 0 CAADHN COCCC(=O)NC[C@@H](C)NCC(=O)N1CCOCC1 ZINC001441774711 891451035 /nfs/dbraw/zinc/45/10/35/891451035.db2.gz RDYKLSPDCDFDLS-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN Cn1cc(CN[C@@H](CO)CNC(=O)c2nnc[nH]2)cn1 ZINC001441773691 891451280 /nfs/dbraw/zinc/45/12/80/891451280.db2.gz ZEUUBEQPNKCHOS-SECBINFHSA-N 0 3 279.304 -1.581 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)n(C)n1 ZINC001441789045 891452043 /nfs/dbraw/zinc/45/20/43/891452043.db2.gz KFWHHSIRMGAUBE-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCOC1)NCC(=O)N1CCOCC1 ZINC001441786544 891452540 /nfs/dbraw/zinc/45/25/40/891452540.db2.gz UDMDUSMIIXPBRO-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H](CNC(=O)c1cocn1)N[C@@H](C)C(=O)NC(N)=O ZINC001441796761 891453678 /nfs/dbraw/zinc/45/36/78/891453678.db2.gz YAEHUBGSSLNFAX-RQJHMYQMSA-N 0 3 283.288 -1.034 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2CCCC2=O)[C@@H]1C ZINC001441799163 891453921 /nfs/dbraw/zinc/45/39/21/891453921.db2.gz BCBOTWBFPDYDQU-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](CNC(=O)c1cocn1)N[C@H](C)C(=O)NC(N)=O ZINC001441796758 891455028 /nfs/dbraw/zinc/45/50/28/891455028.db2.gz YAEHUBGSSLNFAX-RNFRBKRXSA-N 0 3 283.288 -1.034 20 0 CAADHN CC[C@@H](N[C@@H](CO)CNC(=O)Cn1ccnc1C)C(N)=O ZINC001441791843 891455190 /nfs/dbraw/zinc/45/51/90/891455190.db2.gz LQABROKQZXPDJC-GHMZBOCLSA-N 0 3 297.359 -1.478 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001441803258 891455317 /nfs/dbraw/zinc/45/53/17/891455317.db2.gz KBZNGJXHEGKOPA-IUCAKERBSA-N 0 3 287.364 -1.338 20 0 CAADHN C[C@@H](CNC(=O)CN1CCOCC1)N[C@H]1CCN(C)C1=O ZINC001441797136 891455493 /nfs/dbraw/zinc/45/54/93/891455493.db2.gz JATOGEJAXNYLQI-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H](C)NC(N)=O ZINC001441800700 891455860 /nfs/dbraw/zinc/45/58/60/891455860.db2.gz FDUZYSIEPTXORO-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN COCCn1cc(C(=O)NC[C@H](C)N[C@H](C)C(N)=O)nn1 ZINC001441838393 891457293 /nfs/dbraw/zinc/45/72/93/891457293.db2.gz AEWNPLVEJGSHGC-DTWKUNHWSA-N 0 3 298.347 -1.494 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)CNC(=O)NC ZINC001441856531 891457376 /nfs/dbraw/zinc/45/73/76/891457376.db2.gz HOMCDUZDMPBSPB-MRVPVSSYSA-N 0 3 273.337 -1.854 20 0 CAADHN C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)c1nnn(C)n1 ZINC001441839647 891457431 /nfs/dbraw/zinc/45/74/31/891457431.db2.gz PGDCSNFBENJJFF-DTWKUNHWSA-N 0 3 295.347 -1.509 20 0 CAADHN C[C@@H](CNC(=O)CCS(C)(=O)=O)N[C@H]1CCNC1=O ZINC001441849147 891457552 /nfs/dbraw/zinc/45/75/52/891457552.db2.gz BHZIMLXNCUYPIF-IUCAKERBSA-N 0 3 291.373 -1.596 20 0 CAADHN CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CNC(C)=O)C1 ZINC001441826006 891457602 /nfs/dbraw/zinc/45/76/02/891457602.db2.gz TYPAAQSMZNPHPG-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CS(C)(=O)=O)[C@@H]1C ZINC001441834500 891457738 /nfs/dbraw/zinc/45/77/38/891457738.db2.gz RQTNVIUBBSJEHP-RKDXNWHRSA-N 0 3 291.373 -1.644 20 0 CAADHN C[C@@H](CNC(=O)CNC(=O)N1CCCC1)NCC(N)=O ZINC001441841013 891457788 /nfs/dbraw/zinc/45/77/88/891457788.db2.gz DECFLZRWGHKVNY-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CCNC(=O)NC)C(N)=O ZINC001441812903 891458096 /nfs/dbraw/zinc/45/80/96/891458096.db2.gz PFCDEVHQFIZGMI-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@@H](CNC(=O)c1cnn2ccncc12)NCC(N)=O ZINC001441845116 891458254 /nfs/dbraw/zinc/45/82/54/891458254.db2.gz SKHHMCMQSREOEO-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001441834449 891458531 /nfs/dbraw/zinc/45/85/31/891458531.db2.gz RLMDPZMMLKFBKS-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C[C@@H]1C ZINC001441826161 891458598 /nfs/dbraw/zinc/45/85/98/891458598.db2.gz UXLCGVXPJUHVDQ-JQWIXIFHSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](CNC(=O)c1cccn2nnnc12)NCC(N)=O ZINC001441847334 891459133 /nfs/dbraw/zinc/45/91/33/891459133.db2.gz VCEQNJAGSSBURU-SSDOTTSWSA-N 0 3 277.288 -1.683 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CCNC(=O)NC)C(N)=O ZINC001441812906 891459207 /nfs/dbraw/zinc/45/92/07/891459207.db2.gz PFCDEVHQFIZGMI-RKDXNWHRSA-N 0 3 287.364 -1.336 20 0 CAADHN C[C@H](CNC(=O)CCS(C)(=O)=O)N[C@H]1CCNC1=O ZINC001441849143 891459372 /nfs/dbraw/zinc/45/93/72/891459372.db2.gz BHZIMLXNCUYPIF-BDAKNGLRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)c1nnn(C)n1 ZINC001441839644 891459429 /nfs/dbraw/zinc/45/94/29/891459429.db2.gz PGDCSNFBENJJFF-BDAKNGLRSA-N 0 3 295.347 -1.509 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ncc[nH]1 ZINC001441844806 891459468 /nfs/dbraw/zinc/45/94/68/891459468.db2.gz XEBNBWQRECPAHV-ZETCQYMHSA-N 0 3 282.304 -1.427 20 0 CAADHN COCCn1cc(C(=O)NC[C@@H](C)N[C@H](C)C(N)=O)nn1 ZINC001441838403 891459505 /nfs/dbraw/zinc/45/95/05/891459505.db2.gz AEWNPLVEJGSHGC-RKDXNWHRSA-N 0 3 298.347 -1.494 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001441839416 891459613 /nfs/dbraw/zinc/45/96/13/891459613.db2.gz DVZFTOCFGSZKPP-YUMQZZPRSA-N 0 3 271.321 -2.020 20 0 CAADHN C[C@H](CNC(=O)c1ccnc2c1CC(=O)N2)NCC(N)=O ZINC001441877613 891460686 /nfs/dbraw/zinc/46/06/86/891460686.db2.gz VLQDDORQEZPPDL-SSDOTTSWSA-N 0 3 291.311 -1.231 20 0 CAADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)N[C@H](C)C(N)=O ZINC001441881284 891461263 /nfs/dbraw/zinc/46/12/63/891461263.db2.gz UKVHATRSMASFGO-HTQZYQBOSA-N 0 3 284.320 -2.450 20 0 CAADHN C[C@H](CNC(=O)c1ccn2nnnc2c1)N[C@H](C)C(N)=O ZINC001441909270 891461364 /nfs/dbraw/zinc/46/13/64/891461364.db2.gz DAAQUJFPTOSFLI-HTQZYQBOSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncn(C)c1=O)N[C@@H](C)C(N)=O ZINC001441881303 891461691 /nfs/dbraw/zinc/46/16/91/891461691.db2.gz UKVHATRSMASFGO-YUMQZZPRSA-N 0 3 284.320 -2.450 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ccn2nnnc2c1)C(N)=O ZINC001441909280 891461721 /nfs/dbraw/zinc/46/17/21/891461721.db2.gz DAAQUJFPTOSFLI-JGVFFNPUSA-N 0 3 291.315 -1.294 20 0 CAADHN COCC1(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)CC1 ZINC001441901501 891461806 /nfs/dbraw/zinc/46/18/06/891461806.db2.gz DTLPWOYNFHSUET-QMMMGPOBSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)N[C@H](C)C(=O)N(C)C ZINC001441864311 891461886 /nfs/dbraw/zinc/46/18/86/891461886.db2.gz NIJGNPVJKSSGFC-DTWKUNHWSA-N 0 3 287.364 -1.514 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)NCc1n[nH]c(C)n1 ZINC001441876392 891461984 /nfs/dbraw/zinc/46/19/84/891461984.db2.gz ZUXJQUJPBRDMIJ-SSDOTTSWSA-N 0 3 283.336 -1.364 20 0 CAADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N[C@@H]1CCNC1=O ZINC001441874743 891462023 /nfs/dbraw/zinc/46/20/23/891462023.db2.gz XPIPNFHVGJZVHW-DTWKUNHWSA-N 0 3 293.327 -1.623 20 0 CAADHN CO[C@H](C(=O)NC[C@H](C)NCC(N)=O)c1cnn(C)c1 ZINC001441912819 891462144 /nfs/dbraw/zinc/46/21/44/891462144.db2.gz IVZAZPAISSBQEE-KWQFWETISA-N 0 3 283.332 -1.313 20 0 CAADHN C[C@H](CNC(=O)CCn1ccccc1=O)NCC(N)=O ZINC001441869145 891462492 /nfs/dbraw/zinc/46/24/92/891462492.db2.gz NBDPMAXTNQUQBW-SNVBAGLBSA-N 0 3 280.328 -1.182 20 0 CAADHN CO[C@@H](C(=O)NC[C@H](C)NCC(N)=O)c1cnn(C)c1 ZINC001441912805 891462781 /nfs/dbraw/zinc/46/27/81/891462781.db2.gz IVZAZPAISSBQEE-GZMMTYOYSA-N 0 3 283.332 -1.313 20 0 CAADHN CC(C)N(C)C(=O)CN[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001441908662 891462893 /nfs/dbraw/zinc/46/28/93/891462893.db2.gz CFFLTPOBYMVOHE-VIFPVBQESA-N 0 3 297.363 -1.215 20 0 CAADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N[C@H]1CCNC1=O ZINC001441874748 891463228 /nfs/dbraw/zinc/46/32/28/891463228.db2.gz XPIPNFHVGJZVHW-IUCAKERBSA-N 0 3 293.327 -1.623 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)NCC(=O)NCC1CC1 ZINC001441869952 891463333 /nfs/dbraw/zinc/46/33/33/891463333.db2.gz SEWZHQIKEXJETD-SECBINFHSA-N 0 3 299.375 -1.464 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CN1CCCNC1=O)C(N)=O ZINC001441865055 891463400 /nfs/dbraw/zinc/46/34/00/891463400.db2.gz DGMJDKCTCHYYFN-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)N[C@@H]1CCNC1=O ZINC001441894381 891463479 /nfs/dbraw/zinc/46/34/79/891463479.db2.gz UCRDMNRNSAAHQX-JGVFFNPUSA-N 0 3 294.311 -1.025 20 0 CAADHN COCCn1ccc(C(=O)NC[C@H](C)NCC(N)=O)n1 ZINC001441901333 891463493 /nfs/dbraw/zinc/46/34/93/891463493.db2.gz CXRQANCJJJURRJ-VIFPVBQESA-N 0 3 283.332 -1.277 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001441948707 891464468 /nfs/dbraw/zinc/46/44/68/891464468.db2.gz GHBXEBPOYIDTIG-GXSJLCMTSA-N 0 3 297.359 -1.423 20 0 CAADHN CC(=O)N(C)C[C@H](O)CNCC(=O)NC[C@H]1CCCO1 ZINC001441933248 891464529 /nfs/dbraw/zinc/46/45/29/891464529.db2.gz KRIKQFQZWXJUKN-VXGBXAGGSA-N 0 3 287.360 -1.290 20 0 CAADHN CC(C)CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001441952398 891465323 /nfs/dbraw/zinc/46/53/23/891465323.db2.gz PFVUHAGRORQAJF-AXFHLTTASA-N 0 3 298.387 -1.026 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cccnc1)C(N)=O ZINC001441952957 891465399 /nfs/dbraw/zinc/46/53/99/891465399.db2.gz PEQWFVJGYSWHPN-KOLCDFICSA-N 0 3 280.328 -1.022 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cccnc1)C(N)=O ZINC001441952967 891465464 /nfs/dbraw/zinc/46/54/64/891465464.db2.gz PEQWFVJGYSWHPN-ONGXEEELSA-N 0 3 280.328 -1.022 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CNCC(=O)NC[C@H]1CCCO1 ZINC001441933238 891465479 /nfs/dbraw/zinc/46/54/79/891465479.db2.gz KRIKQFQZWXJUKN-NWDGAFQWSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001441948710 891465627 /nfs/dbraw/zinc/46/56/27/891465627.db2.gz GHBXEBPOYIDTIG-MWLCHTKSSA-N 0 3 297.359 -1.423 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001441932570 891465659 /nfs/dbraw/zinc/46/56/59/891465659.db2.gz DVZMKQOEPBKUTQ-SECBINFHSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)NCC(=O)N(C)C ZINC001441943331 891465912 /nfs/dbraw/zinc/46/59/12/891465912.db2.gz SEGCFFWYIMPBFW-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN C[C@H](CNC(=O)CCc1cnn(C)n1)NCC(=O)N(C)C ZINC001441940392 891466118 /nfs/dbraw/zinc/46/61/18/891466118.db2.gz ADMPJBJTFIQECP-SNVBAGLBSA-N 0 3 296.375 -1.070 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001441941692 891466183 /nfs/dbraw/zinc/46/61/83/891466183.db2.gz NVUJLYIYRTZNDU-SFYZADRCSA-N 0 3 281.316 -1.258 20 0 CAADHN Cc1cnc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)cn1 ZINC001441953179 891466193 /nfs/dbraw/zinc/46/61/93/891466193.db2.gz PQVGITAXDGKENW-VIFPVBQESA-N 0 3 281.316 -1.707 20 0 CAADHN COC[C@H](OC)C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001441949222 891466509 /nfs/dbraw/zinc/46/65/09/891466509.db2.gz YLMNTFDEKMWFPQ-YUMQZZPRSA-N 0 3 290.320 -2.063 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCCN(C)C1=O ZINC001441936809 891466584 /nfs/dbraw/zinc/46/65/84/891466584.db2.gz NYAYPJMKBFIFKF-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cn1cnnn1)C(N)=O ZINC001441950196 891466600 /nfs/dbraw/zinc/46/66/00/891466600.db2.gz HWNQNTCBKWIZTI-YUMQZZPRSA-N 0 3 285.308 -3.044 20 0 CAADHN CC(C)C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001441948352 891466691 /nfs/dbraw/zinc/46/66/91/891466691.db2.gz KNTKPGDAORAKGD-IUCAKERBSA-N 0 3 288.348 -1.365 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCn1cncn1 ZINC001441942826 891466760 /nfs/dbraw/zinc/46/67/60/891466760.db2.gz BFLXUIDCPBISET-SECBINFHSA-N 0 3 284.320 -2.438 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001441957806 891468077 /nfs/dbraw/zinc/46/80/77/891468077.db2.gz RJTIEPXGUSPSQN-LLVKDONJSA-N 0 3 297.359 -1.421 20 0 CAADHN CC[C@@H](OC)C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001441974369 891468205 /nfs/dbraw/zinc/46/82/05/891468205.db2.gz YYOINAMYIDJADA-NXEZZACHSA-N 0 3 275.349 -1.434 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)C1=COCCO1 ZINC001441954427 891468222 /nfs/dbraw/zinc/46/82/22/891468222.db2.gz MVCAGTAQPAPBDF-NXEZZACHSA-N 0 3 299.327 -1.828 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)Cn1nnnc1C(C)C ZINC001441970480 891468335 /nfs/dbraw/zinc/46/83/35/891468335.db2.gz POPQXJPNAYKKLM-SECBINFHSA-N 0 3 297.363 -1.363 20 0 CAADHN Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001441974812 891468414 /nfs/dbraw/zinc/46/84/14/891468414.db2.gz AGZYGBBGNQDZDP-ZJUUUORDSA-N 0 3 297.359 -1.375 20 0 CAADHN C[C@H](CNC(=O)CCc1cnn[nH]1)NCc1nnnn1C ZINC001441959476 891468488 /nfs/dbraw/zinc/46/84/88/891468488.db2.gz ODJXLDPRAKHUAX-MRVPVSSYSA-N 0 3 293.335 -1.445 20 0 CAADHN C[C@@H](CNC(=O)COCc1nncn1C)N[C@@H](C)C(N)=O ZINC001441977875 891468629 /nfs/dbraw/zinc/46/86/29/891468629.db2.gz IEQCOOKBCCWMRE-IUCAKERBSA-N 0 3 298.347 -1.700 20 0 CAADHN Cc1ncn(C)c1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001441974807 891468757 /nfs/dbraw/zinc/46/87/57/891468757.db2.gz AGZYGBBGNQDZDP-UWVGGRQHSA-N 0 3 297.359 -1.375 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cn[nH]c1)C(=O)N(C)C ZINC001441971006 891468911 /nfs/dbraw/zinc/46/89/11/891468911.db2.gz XIYMWIZCZLCUQZ-MWLCHTKSSA-N 0 3 297.359 -1.091 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cn[nH]c1)C(=O)N(C)C ZINC001441971003 891469132 /nfs/dbraw/zinc/46/91/32/891469132.db2.gz XIYMWIZCZLCUQZ-KOLCDFICSA-N 0 3 297.359 -1.091 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cncnc1 ZINC001441974495 891469149 /nfs/dbraw/zinc/46/91/49/891469149.db2.gz UTOLIGSBVBTKBE-GXSJLCMTSA-N 0 3 295.343 -1.366 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)COCc1nncn1C)C(N)=O ZINC001441977868 891469329 /nfs/dbraw/zinc/46/93/29/891469329.db2.gz IEQCOOKBCCWMRE-DTWKUNHWSA-N 0 3 298.347 -1.700 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CC[C@@H]1CCOC1 ZINC001441972886 891469377 /nfs/dbraw/zinc/46/93/77/891469377.db2.gz MHZWSCIIUJAVHE-MNOVXSKESA-N 0 3 287.360 -1.303 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cnn(C)c1)C(N)=O ZINC001441957791 891469521 /nfs/dbraw/zinc/46/95/21/891469521.db2.gz RHRQJDVCJGRBNC-WDEREUQCSA-N 0 3 297.359 -1.294 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C1=COCCC1 ZINC001441967030 891469652 /nfs/dbraw/zinc/46/96/52/891469652.db2.gz LYYXVQZJLUEAKO-NEPJUHHUSA-N 0 3 297.355 -1.022 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001441974497 891469673 /nfs/dbraw/zinc/46/96/73/891469673.db2.gz UTOLIGSBVBTKBE-KOLCDFICSA-N 0 3 295.343 -1.366 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1)C(N)=O ZINC001441957783 891469735 /nfs/dbraw/zinc/46/97/35/891469735.db2.gz RHRQJDVCJGRBNC-GHMZBOCLSA-N 0 3 297.359 -1.294 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cncn1C ZINC001441976501 891469838 /nfs/dbraw/zinc/46/98/38/891469838.db2.gz ARTXQBDDQTXRQA-UWVGGRQHSA-N 0 3 295.343 -1.669 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C[C@@H]1CCCO1 ZINC001441970027 891469881 /nfs/dbraw/zinc/46/98/81/891469881.db2.gz WNSFKVHGIBXLIG-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccnn1C ZINC001441965235 891469929 /nfs/dbraw/zinc/46/99/29/891469929.db2.gz KKOCJPLFYAKUIR-SECBINFHSA-N 0 3 283.332 -1.811 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C1=COCCC1 ZINC001441967038 891469954 /nfs/dbraw/zinc/46/99/54/891469954.db2.gz LYYXVQZJLUEAKO-NWDGAFQWSA-N 0 3 297.355 -1.022 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCCO1 ZINC001441957924 891470129 /nfs/dbraw/zinc/47/01/29/891470129.db2.gz SAMLVVIYPCFBHI-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)Cn1nnnc1C(C)C ZINC001441970481 891470164 /nfs/dbraw/zinc/47/01/64/891470164.db2.gz POPQXJPNAYKKLM-VIFPVBQESA-N 0 3 297.363 -1.363 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)c1cc[nH]n1 ZINC001441954575 891470226 /nfs/dbraw/zinc/47/02/26/891470226.db2.gz WMPBRXMADUYSEH-SNVBAGLBSA-N 0 3 295.343 -1.289 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnns1 ZINC001441960538 891470443 /nfs/dbraw/zinc/47/04/43/891470443.db2.gz JXMBJHPWTNIHLJ-ZETCQYMHSA-N 0 3 287.345 -1.693 20 0 CAADHN C[C@@H](CNC(=O)CCc1cnn[nH]1)NCc1nnnn1C ZINC001441959477 891470474 /nfs/dbraw/zinc/47/04/74/891470474.db2.gz ODJXLDPRAKHUAX-QMMMGPOBSA-N 0 3 293.335 -1.445 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnn(C)c1 ZINC001441957808 891470490 /nfs/dbraw/zinc/47/04/90/891470490.db2.gz RJTIEPXGUSPSQN-NSHDSACASA-N 0 3 297.359 -1.421 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001441989185 891471915 /nfs/dbraw/zinc/47/19/15/891471915.db2.gz MLPCJNNZBYWLPF-DTWKUNHWSA-N 0 3 298.347 -1.730 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1)C(N)=O ZINC001441985381 891472108 /nfs/dbraw/zinc/47/21/08/891472108.db2.gz AFRGAIUKMYYBHQ-JGVFFNPUSA-N 0 3 299.331 -1.978 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cncn1C)C(N)=O ZINC001441988334 891472238 /nfs/dbraw/zinc/47/22/38/891472238.db2.gz QBDXJMXLACMXJB-BDAKNGLRSA-N 0 3 283.332 -1.684 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001441989167 891472376 /nfs/dbraw/zinc/47/23/76/891472376.db2.gz MLPCJNNZBYWLPF-BDAKNGLRSA-N 0 3 298.347 -1.730 20 0 CAADHN C[C@H](CNC(=O)CCn1cnccc1=O)N[C@@H](C)C(N)=O ZINC001441985131 891472490 /nfs/dbraw/zinc/47/24/90/891472490.db2.gz RDBHBYHYZNMISQ-ZJUUUORDSA-N 0 3 295.343 -1.399 20 0 CAADHN CC[C@@H]1OCC[C@H]1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001441991864 891472510 /nfs/dbraw/zinc/47/25/10/891472510.db2.gz DVFXACMSNNVKJJ-MXWKQRLJSA-N 0 3 287.360 -1.304 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CC1(O)CCC1 ZINC001441984048 891472551 /nfs/dbraw/zinc/47/25/51/891472551.db2.gz ZNTKQFFROAHMLK-JTQLQIEISA-N 0 3 287.360 -1.554 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1ccncn1 ZINC001442001186 891472679 /nfs/dbraw/zinc/47/26/79/891472679.db2.gz UECKLRAAELIQHI-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1n[nH]nc1C ZINC001441989199 891472864 /nfs/dbraw/zinc/47/28/64/891472864.db2.gz MLPCJNNZBYWLPF-IUCAKERBSA-N 0 3 298.347 -1.730 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001441994946 891472966 /nfs/dbraw/zinc/47/29/66/891472966.db2.gz NVZKZUWYHIKULB-LLVKDONJSA-N 0 3 298.343 -1.286 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1c[nH]nc1C ZINC001441978737 891473084 /nfs/dbraw/zinc/47/30/84/891473084.db2.gz DYBOPPNYDCDEOZ-SNVBAGLBSA-N 0 3 297.359 -1.123 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnco1 ZINC001441997093 891473126 /nfs/dbraw/zinc/47/31/26/891473126.db2.gz SFHQRXNOPSRMBG-VIFPVBQESA-N 0 3 284.316 -1.167 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1)C(N)=O ZINC001441985094 891473283 /nfs/dbraw/zinc/47/32/83/891473283.db2.gz AFRGAIUKMYYBHQ-HTQZYQBOSA-N 0 3 299.331 -1.978 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1ncn(C)n1 ZINC001441996574 891473321 /nfs/dbraw/zinc/47/33/21/891473321.db2.gz NBDYVRGXCSESLS-IUCAKERBSA-N 0 3 296.331 -2.274 20 0 CAADHN CC[C@H](F)CNC[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001441983952 891473365 /nfs/dbraw/zinc/47/33/65/891473365.db2.gz YUDYXLZNVDJXJM-VHSXEESVSA-N 0 3 288.327 -1.170 20 0 CAADHN CC[C@@H](F)CNC[C@@H](O)CN(C)C(=O)Cn1ncnn1 ZINC001441983946 891473638 /nfs/dbraw/zinc/47/36/38/891473638.db2.gz YUDYXLZNVDJXJM-NXEZZACHSA-N 0 3 288.327 -1.170 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001441978534 891473468 /nfs/dbraw/zinc/47/34/68/891473468.db2.gz AEQKROKWLACORU-SCZZXKLOSA-N 0 3 298.343 -1.106 20 0 CAADHN COc1nc(C(=O)N(C)C[C@H](O)CNCC(N)=O)co1 ZINC001441991296 891473528 /nfs/dbraw/zinc/47/35/28/891473528.db2.gz NUERETHWDGHRPD-SSDOTTSWSA-N 0 3 286.288 -1.809 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cncn1C)C(N)=O ZINC001441988348 891473562 /nfs/dbraw/zinc/47/35/62/891473562.db2.gz QBDXJMXLACMXJB-DTWKUNHWSA-N 0 3 283.332 -1.684 20 0 CAADHN C[C@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)NCC(N)=O ZINC001442016022 891474942 /nfs/dbraw/zinc/47/49/42/891474942.db2.gz YFNNBJNGJUUBSA-APPZFPTMSA-N 0 3 287.364 -1.351 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)n(C)n1 ZINC001442015776 891474986 /nfs/dbraw/zinc/47/49/86/891474986.db2.gz CMZYQNONFVIWSE-SNVBAGLBSA-N 0 3 297.359 -1.510 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1cnc[nH]1)C(N)=O ZINC001442008942 891475066 /nfs/dbraw/zinc/47/50/66/891475066.db2.gz BOBBHMBJFWAIQW-GHMZBOCLSA-N 0 3 297.359 -1.375 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)N(C)C[C@H](O)CNCC(=O)NC(N)=O ZINC001442009326 891475077 /nfs/dbraw/zinc/47/50/77/891475077.db2.gz SFVHGNOIVOBMDG-IWSPIJDZSA-N 0 3 286.332 -1.754 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1ccnnc1)C(N)=O ZINC001442010836 891475124 /nfs/dbraw/zinc/47/51/24/891475124.db2.gz DPRLQUHIVQLIMR-WDEREUQCSA-N 0 3 295.343 -1.237 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)ccn1 ZINC001442024298 891475278 /nfs/dbraw/zinc/47/52/78/891475278.db2.gz RIHWNYGOAOEWTB-NSHDSACASA-N 0 3 280.328 -1.102 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1nccs1 ZINC001442016697 891475470 /nfs/dbraw/zinc/47/54/70/891475470.db2.gz DRBHUZAONCGZDF-MRVPVSSYSA-N 0 3 286.357 -1.088 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1c[nH]nc1C1CC1 ZINC001442030538 891475518 /nfs/dbraw/zinc/47/55/18/891475518.db2.gz ICWNSVUKPJZXRQ-SECBINFHSA-N 0 3 295.343 -1.205 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCNC(N)=O ZINC001442042463 891475752 /nfs/dbraw/zinc/47/57/52/891475752.db2.gz TWQRUOBVBMXQTL-HTQZYQBOSA-N 0 3 273.337 -1.726 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccccc1=O)N[C@@H](C)C(N)=O ZINC001442039543 891476151 /nfs/dbraw/zinc/47/61/51/891476151.db2.gz QCZAOAXNMIWXIB-UWVGGRQHSA-N 0 3 280.328 -1.184 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NCC(=O)N1CCC1 ZINC001442019618 891476500 /nfs/dbraw/zinc/47/65/00/891476500.db2.gz TXMFDPHALDSNAZ-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)ccn1 ZINC001442024293 891477072 /nfs/dbraw/zinc/47/70/72/891477072.db2.gz RIHWNYGOAOEWTB-LLVKDONJSA-N 0 3 280.328 -1.102 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC)C1 ZINC001442043490 891477260 /nfs/dbraw/zinc/47/72/60/891477260.db2.gz FIFSNWLCOAOUHR-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN Cc1c[nH]c(C(=O)N(C)C[C@@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001442021680 891477303 /nfs/dbraw/zinc/47/73/03/891477303.db2.gz CGKZSWFEQXJBJJ-VHSXEESVSA-N 0 3 295.343 -1.371 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001442076002 891479177 /nfs/dbraw/zinc/47/91/77/891479177.db2.gz UMPZIBBMWVLDMR-WDEREUQCSA-N 0 3 296.371 -1.020 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001442059456 891479788 /nfs/dbraw/zinc/47/97/88/891479788.db2.gz RMMQYFKCCQLCDF-MNOVXSKESA-N 0 3 289.376 -1.356 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001442050225 891479969 /nfs/dbraw/zinc/47/99/69/891479969.db2.gz OMKRKFRKKZFIHH-BDAKNGLRSA-N 0 3 293.389 -1.222 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cccc(=O)n1C ZINC001442082037 891480073 /nfs/dbraw/zinc/48/00/73/891480073.db2.gz MCSWVECYPOWFAL-NSHDSACASA-N 0 3 297.355 -1.258 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCc1cn(C)nn1 ZINC001442055080 891480144 /nfs/dbraw/zinc/48/01/44/891480144.db2.gz GQSLQXWLDSYWTA-JTQLQIEISA-N 0 3 298.347 -2.358 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001442084775 891480447 /nfs/dbraw/zinc/48/04/47/891480447.db2.gz FDKGURURJPTEMO-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001442062648 891481101 /nfs/dbraw/zinc/48/11/01/891481101.db2.gz QWBQGRQSECHHAQ-SECBINFHSA-N 0 3 299.331 -1.511 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001442059453 891481133 /nfs/dbraw/zinc/48/11/33/891481133.db2.gz RMMQYFKCCQLCDF-GHMZBOCLSA-N 0 3 289.376 -1.356 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCCC(N)=O ZINC001442064295 891481279 /nfs/dbraw/zinc/48/12/79/891481279.db2.gz BWZNGYNOINDJRK-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001442048595 891481295 /nfs/dbraw/zinc/48/12/95/891481295.db2.gz JWWILMSKXDLHQD-QMMMGPOBSA-N 0 3 295.343 -1.042 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)CCO ZINC001442059459 891481445 /nfs/dbraw/zinc/48/14/45/891481445.db2.gz RMMQYFKCCQLCDF-QWRGUYRKSA-N 0 3 289.376 -1.356 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCc2nncn2C1)NCC(N)=O ZINC001442138030 891482500 /nfs/dbraw/zinc/48/25/00/891482500.db2.gz TXTLARUWCGFKFN-IUCAKERBSA-N 0 3 280.332 -1.580 20 0 CAADHN COCCN(CCNC(=O)[C@H]1CCC(=O)N1)C[C@H](C)O ZINC001442169991 891483218 /nfs/dbraw/zinc/48/32/18/891483218.db2.gz DQGWRDOBAZWALW-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN CC(C)(C)[C@H](CNCC(N)=O)NC(=O)[C@@H]1COC(=O)N1 ZINC001442152350 891483513 /nfs/dbraw/zinc/48/35/13/891483513.db2.gz LATLMAMAIMSARH-YUMQZZPRSA-N 0 3 286.332 -1.299 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCc2nncn2C1)NCC(N)=O ZINC001442138028 891484301 /nfs/dbraw/zinc/48/43/01/891484301.db2.gz TXTLARUWCGFKFN-DTWKUNHWSA-N 0 3 280.332 -1.580 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001442106086 891484976 /nfs/dbraw/zinc/48/49/76/891484976.db2.gz UGKVQUZCIFQRBQ-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@H](NC[C@H](NC(=O)c1nnn(C)n1)C(C)(C)C)C(N)=O ZINC001442166412 891484995 /nfs/dbraw/zinc/48/49/95/891484995.db2.gz FVHRMGWAMJIONW-YUMQZZPRSA-N 0 3 297.363 -1.182 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCc2nncn2C1)NCC(N)=O ZINC001442138032 891485125 /nfs/dbraw/zinc/48/51/25/891485125.db2.gz TXTLARUWCGFKFN-RKDXNWHRSA-N 0 3 280.332 -1.580 20 0 CAADHN COCCN1CCC(NC(=O)C2(O)COC2)CC1 ZINC001442300162 891487244 /nfs/dbraw/zinc/48/72/44/891487244.db2.gz SLBKFNPBEMSUJI-UHFFFAOYSA-N 0 3 258.318 -1.025 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC001442298730 891487880 /nfs/dbraw/zinc/48/78/80/891487880.db2.gz ORHUQHWAKMAVQQ-CBAPKCEASA-N 0 3 256.306 -1.632 20 0 CAADHN CN(CCCO)CCNC(=O)CN(C)S(C)(=O)=O ZINC001442409154 891490817 /nfs/dbraw/zinc/49/08/17/891490817.db2.gz JJDGISGZAJQWKH-UHFFFAOYSA-N 0 3 281.378 -1.692 20 0 CAADHN CCC[C@@H](C(=O)NCCN(C)C[C@@H](C)O)S(N)(=O)=O ZINC001442481818 891495951 /nfs/dbraw/zinc/49/59/51/891495951.db2.gz PGGFKFGKHVTKLO-ZJUUUORDSA-N 0 3 295.405 -1.128 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001442461673 891496734 /nfs/dbraw/zinc/49/67/34/891496734.db2.gz GWOXKDMVAHXZEI-VIFPVBQESA-N 0 3 284.316 -1.622 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN(C)CCO ZINC001442437146 891497288 /nfs/dbraw/zinc/49/72/88/891497288.db2.gz OBAFERCVKPDKCW-UHFFFAOYSA-N 0 3 274.321 -2.721 20 0 CAADHN COC[C@H](C)N(C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC001442586638 891498421 /nfs/dbraw/zinc/49/84/21/891498421.db2.gz FHMZXNJTLZDERA-JTQLQIEISA-N 0 3 299.375 -1.027 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)c1ncn[nH]1 ZINC001442549479 891501089 /nfs/dbraw/zinc/50/10/89/891501089.db2.gz LMVUREJVYIHLJF-SSDOTTSWSA-N 0 3 297.319 -1.690 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N(C)CCNC(=O)c1nc[nH]n1 ZINC001442549479 891501095 /nfs/dbraw/zinc/50/10/95/891501095.db2.gz LMVUREJVYIHLJF-SSDOTTSWSA-N 0 3 297.319 -1.690 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)O1 ZINC001442673855 891503971 /nfs/dbraw/zinc/50/39/71/891503971.db2.gz WNOMGLDVOLXZDY-WISYIIOYSA-N 0 3 297.355 -1.001 20 0 CAADHN COC[C@H](O)CN1CCC[C@H]1CNC(=O)Cn1ncnn1 ZINC001442799261 891509251 /nfs/dbraw/zinc/50/92/51/891509251.db2.gz WFOJQPGMEJCVTK-WDEREUQCSA-N 0 3 298.347 -1.739 20 0 CAADHN NC(=O)c1ncn(CC(=O)NC[C@@H]2CCCN2CCO)n1 ZINC001442781129 891509265 /nfs/dbraw/zinc/50/92/65/891509265.db2.gz HLYHIMWSWVVBFY-VIFPVBQESA-N 0 3 296.331 -2.050 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001442879108 891510739 /nfs/dbraw/zinc/51/07/39/891510739.db2.gz WOQCXVRZHSQACC-NXEZZACHSA-N 0 3 295.347 -1.625 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001442879147 891512067 /nfs/dbraw/zinc/51/20/67/891512067.db2.gz WOQCXVRZHSQACC-VHSXEESVSA-N 0 3 295.347 -1.625 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001442879164 891512644 /nfs/dbraw/zinc/51/26/44/891512644.db2.gz WOQCXVRZHSQACC-ZJUUUORDSA-N 0 3 295.347 -1.625 20 0 CAADHN CC[C@H](NCCN(C)C(=O)C1CS(=O)(=O)C1)C(N)=O ZINC001443078009 891514145 /nfs/dbraw/zinc/51/41/45/891514145.db2.gz MAWGCRMLFWJGJP-VIFPVBQESA-N 0 3 291.373 -1.657 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CCS(C)(=O)=O)C(N)=O ZINC001443076055 891514179 /nfs/dbraw/zinc/51/41/79/891514179.db2.gz BQFUEWCHDODYGA-VIFPVBQESA-N 0 3 293.389 -1.267 20 0 CAADHN CCCNC(=O)[C@H](C)NCCN(C)C(=O)c1nnn(C)n1 ZINC001443090944 891514365 /nfs/dbraw/zinc/51/43/65/891514365.db2.gz VZPODTQLKBVPKC-VIFPVBQESA-N 0 3 297.363 -1.214 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCn1ncn(C)c1=O)C(N)=O ZINC001443061816 891514442 /nfs/dbraw/zinc/51/44/42/891514442.db2.gz BNVPTZJIWGCIQY-SECBINFHSA-N 0 3 298.347 -2.106 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)C[C@H]1CCC(=O)N1)C(N)=O ZINC001443078720 891514512 /nfs/dbraw/zinc/51/45/12/891514512.db2.gz LTCFGQSUKDLUMA-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CCn1cncn1 ZINC001443069844 891514614 /nfs/dbraw/zinc/51/46/14/891514614.db2.gz YTLQHTPRTNTBSZ-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001443075858 891514642 /nfs/dbraw/zinc/51/46/42/891514642.db2.gz ATNKKZANQLBWSJ-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cncnc1)C(=O)NC(N)=O ZINC001443078798 891514675 /nfs/dbraw/zinc/51/46/75/891514675.db2.gz GWQRRYYZXOUHMW-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCN[C@@H]1CCN(C)C1=O ZINC001443083469 891514871 /nfs/dbraw/zinc/51/48/71/891514871.db2.gz NMMCAKCGMKYQEE-DTWKUNHWSA-N 0 3 285.348 -1.678 20 0 CAADHN Cc1nnc(CC(=O)N(C)CCN[C@@H]2CCNC2=O)[nH]1 ZINC001443084478 891515324 /nfs/dbraw/zinc/51/53/24/891515324.db2.gz RTVREBHVHCMHHW-SECBINFHSA-N 0 3 280.332 -1.408 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)c1cnn(C)c1N)C(N)=O ZINC001443078784 891515347 /nfs/dbraw/zinc/51/53/47/891515347.db2.gz GTUVWCBHDBCPRQ-SECBINFHSA-N 0 3 282.348 -1.072 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001443082294 891515435 /nfs/dbraw/zinc/51/54/35/891515435.db2.gz UBPWPNLLSQDACX-KXUCPTDWSA-N 0 3 298.343 -2.044 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1CCC(=O)NC1)C(N)=O ZINC001443075749 891515558 /nfs/dbraw/zinc/51/55/58/891515558.db2.gz AIDAAEQTKQEASG-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCN(C)C(=O)c1nnn(C)n1 ZINC001443090936 891515597 /nfs/dbraw/zinc/51/55/97/891515597.db2.gz VZPODTQLKBVPKC-SECBINFHSA-N 0 3 297.363 -1.214 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)CNC(=O)C1CC1 ZINC001443064273 891515711 /nfs/dbraw/zinc/51/57/11/891515711.db2.gz MHGKROHOXPBGEL-NSHDSACASA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1cncn1)C(=O)N(C)C ZINC001443086972 891515736 /nfs/dbraw/zinc/51/57/36/891515736.db2.gz CFWKIXHVXDMDLC-SNVBAGLBSA-N 0 3 282.348 -1.197 20 0 CAADHN COc1cc(C(=O)N(C)CCN[C@@H](C)C(N)=O)nn1C ZINC001443088671 891515854 /nfs/dbraw/zinc/51/58/54/891515854.db2.gz XYZLLEHFIBJYNC-QMMMGPOBSA-N 0 3 283.332 -1.036 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)C1CS(=O)(=O)C1 ZINC001443084657 891515974 /nfs/dbraw/zinc/51/59/74/891515974.db2.gz ZOLMWGRGZFCFBB-MRVPVSSYSA-N 0 3 291.373 -1.787 20 0 CAADHN Cc1nnc(CC(=O)N(C)CCN[C@@H]2CCCNC2=O)[nH]1 ZINC001443087444 891516095 /nfs/dbraw/zinc/51/60/95/891516095.db2.gz YYKXORYMOLLPBW-SNVBAGLBSA-N 0 3 294.359 -1.018 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1CCC(=O)N1C ZINC001443084837 891516297 /nfs/dbraw/zinc/51/62/97/891516297.db2.gz KMDGTKOTJBFDQH-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1ccc(=O)[nH]n1 ZINC001443072221 891516335 /nfs/dbraw/zinc/51/63/35/891516335.db2.gz ICQSDJDJUSEFGT-MRVPVSSYSA-N 0 3 279.300 -1.268 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cncnc1)C(=O)NC(N)=O ZINC001443078795 891516378 /nfs/dbraw/zinc/51/63/78/891516378.db2.gz GWQRRYYZXOUHMW-MRVPVSSYSA-N 0 3 294.315 -1.278 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)CN1CCCC1=O ZINC001443066581 891516387 /nfs/dbraw/zinc/51/63/87/891516387.db2.gz QTGFSXZKYYJBHT-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001443075745 891516431 /nfs/dbraw/zinc/51/64/31/891516431.db2.gz IMWOUGSSKLPYBR-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN Cc1nnc(CC(=O)N(C)CCN[C@H]2CCNC2=O)[nH]1 ZINC001443084480 891516523 /nfs/dbraw/zinc/51/65/23/891516523.db2.gz RTVREBHVHCMHHW-VIFPVBQESA-N 0 3 280.332 -1.408 20 0 CAADHN CC[C@H](NCCN(C)C(=O)c1cnn(C)c1N)C(N)=O ZINC001443078786 891516595 /nfs/dbraw/zinc/51/65/95/891516595.db2.gz GTUVWCBHDBCPRQ-VIFPVBQESA-N 0 3 282.348 -1.072 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001443075850 891516604 /nfs/dbraw/zinc/51/66/04/891516604.db2.gz ATNKKZANQLBWSJ-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(=O)N(C)CCN[C@H]1CCCNC1=O ZINC001443071235 891516673 /nfs/dbraw/zinc/51/66/73/891516673.db2.gz GGSXSHVGYWXSJN-JTQLQIEISA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)NCCC(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001443075091 891516689 /nfs/dbraw/zinc/51/66/89/891516689.db2.gz AAUODPSBNXHMLV-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccc(C(N)=O)[nH]1)C(N)=O ZINC001443082297 891516720 /nfs/dbraw/zinc/51/67/20/891516720.db2.gz UDFCCCQSIJWYOR-ZETCQYMHSA-N 0 3 281.316 -1.351 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001443100275 891518671 /nfs/dbraw/zinc/51/86/71/891518671.db2.gz MHJGHCANVPKMIZ-SECBINFHSA-N 0 3 297.359 -1.351 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001443104718 891518741 /nfs/dbraw/zinc/51/87/41/891518741.db2.gz UEALMZGMZIRIGT-QMMMGPOBSA-N 0 3 279.362 -1.657 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001443225191 891519215 /nfs/dbraw/zinc/51/92/15/891519215.db2.gz WJRJQDUKPKCZHX-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCCN(C(=O)Cn1ncnn1)[C@@H]1CCN(CCO)C1 ZINC001443178559 891519718 /nfs/dbraw/zinc/51/97/18/891519718.db2.gz LGNSLXOVKWGURJ-LLVKDONJSA-N 0 3 282.348 -1.022 20 0 CAADHN CCN1CCN(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001443501507 891527475 /nfs/dbraw/zinc/52/74/75/891527475.db2.gz VYVGAVUHKKZYHH-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN COC[C@H](O)CN1CC(NC(=O)c2[nH]ncc2F)C1 ZINC001443512170 891528894 /nfs/dbraw/zinc/52/88/94/891528894.db2.gz CUIQKUZJKAUVTE-MRVPVSSYSA-N 0 3 272.280 -1.030 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)[C@H](C)n2cncn2)C1 ZINC001443578040 891530370 /nfs/dbraw/zinc/53/03/70/891530370.db2.gz GRFQIQPMJLVWAT-JQWIXIFHSA-N 0 3 297.359 -1.106 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001443613101 891534632 /nfs/dbraw/zinc/53/46/32/891534632.db2.gz DCUWZLKENHLUTI-RYUDHWBXSA-N 0 3 299.371 -1.290 20 0 CAADHN CNS(=O)(=O)CC(=O)NCC1CN(CCCO)C1 ZINC001443652501 891534850 /nfs/dbraw/zinc/53/48/50/891534850.db2.gz LWISZFVRCKMURV-UHFFFAOYSA-N 0 3 279.362 -2.034 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NCC1CN(CCCO)C1 ZINC001443634213 891535269 /nfs/dbraw/zinc/53/52/69/891535269.db2.gz KDTYQXMNSRTGPP-UHFFFAOYSA-N 0 3 293.389 -1.692 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001443640032 891536215 /nfs/dbraw/zinc/53/62/15/891536215.db2.gz YVNHYURBVOHMCW-SECBINFHSA-N 0 3 293.389 -1.693 20 0 CAADHN CCN1CC(CNC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001443598215 891536242 /nfs/dbraw/zinc/53/62/42/891536242.db2.gz MVAVEXUXIZNEKY-UHFFFAOYSA-N 0 3 280.328 -1.385 20 0 CAADHN CC[C@@H](CNC(=O)c1cncnc1)NCC(=O)NC(N)=O ZINC001443921895 891541162 /nfs/dbraw/zinc/54/11/62/891541162.db2.gz FEISNPAXOCFIAV-VIFPVBQESA-N 0 3 294.315 -1.231 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)N1CCCC1)NCC(N)=O ZINC001443916455 891541206 /nfs/dbraw/zinc/54/12/06/891541206.db2.gz LWJIKFYMWQEECU-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)OC)NCC(=O)NC(N)=O ZINC001443886850 891541426 /nfs/dbraw/zinc/54/14/26/891541426.db2.gz FSVHTRPWTSUIEF-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CC[C@H](CNC(=O)CN1CCCCC1=O)NCC(N)=O ZINC001443950142 891541910 /nfs/dbraw/zinc/54/19/10/891541910.db2.gz GZZJWPXPKKDZHA-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1COC(=O)N1)NCC(=O)NC ZINC001443932274 891542054 /nfs/dbraw/zinc/54/20/54/891542054.db2.gz IXNIFOXFTWSGOT-YUMQZZPRSA-N 0 3 272.305 -1.675 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)N[C@@H](C)C(=O)N(C)C ZINC001443917399 891542183 /nfs/dbraw/zinc/54/21/83/891542183.db2.gz OHAHCBHNRWTYDW-VHSXEESVSA-N 0 3 297.363 -1.366 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)NCC(=O)NC ZINC001443952396 891542257 /nfs/dbraw/zinc/54/22/57/891542257.db2.gz JIYZDJITXDXUQD-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CCN(C(=O)CN1CCOCC1=O)[C@H]1CCN(CCO)C1 ZINC001443858176 891542323 /nfs/dbraw/zinc/54/23/23/891542323.db2.gz CEUQTLSEJFBHNK-LBPRGKRZSA-N 0 3 299.371 -1.240 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)NCC(=O)NC ZINC001443939542 891542653 /nfs/dbraw/zinc/54/26/53/891542653.db2.gz ZUSTXHRMDWXWQR-MRVPVSSYSA-N 0 3 273.337 -1.854 20 0 CAADHN CC[C@@H](CNC(=O)c1cnn(C)c1)NCC(=O)NC(N)=O ZINC001443883752 891542720 /nfs/dbraw/zinc/54/27/20/891542720.db2.gz GDFZMXTZBMGPTG-VIFPVBQESA-N 0 3 296.331 -1.287 20 0 CAADHN CC[C@H](CNC(=O)CCc1nnc[n-]1)[NH2+]CC(=O)NC ZINC001443910739 891542876 /nfs/dbraw/zinc/54/28/76/891542876.db2.gz NVZSHNFQTQNMPU-SECBINFHSA-N 0 3 282.348 -1.032 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)NCC(=O)NC1CC1 ZINC001443924274 891542973 /nfs/dbraw/zinc/54/29/73/891542973.db2.gz AHPYLFVBQZAFPB-VIFPVBQESA-N 0 3 299.375 -1.322 20 0 CAADHN CCN(C(=O)CCNC(N)=O)[C@@H]1CCN(CCO)C1 ZINC001443867554 891543098 /nfs/dbraw/zinc/54/30/98/891543098.db2.gz CJFYIUORNXGXAJ-SNVBAGLBSA-N 0 3 272.349 -1.040 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncnn1)NCc1n[nH]c(C)n1 ZINC001443920563 891543286 /nfs/dbraw/zinc/54/32/86/891543286.db2.gz UZEYAWVYUDZJKH-SECBINFHSA-N 0 3 293.335 -1.216 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)OC)NCC(=O)NC(N)=O ZINC001443886855 891543428 /nfs/dbraw/zinc/54/34/28/891543428.db2.gz FSVHTRPWTSUIEF-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN CCOCC(=O)NC[C@H](CC)NCC(=O)NC(=O)NC ZINC001443893571 891543559 /nfs/dbraw/zinc/54/35/59/891543559.db2.gz YXDGJPGBGPPQKN-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CC[C@H](CNC(=O)CNC(=O)NC)NCC(=O)NC1CC1 ZINC001443924273 891543608 /nfs/dbraw/zinc/54/36/08/891543608.db2.gz AHPYLFVBQZAFPB-SECBINFHSA-N 0 3 299.375 -1.322 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1COC(=O)N1)NCC(=O)NC ZINC001443932262 891543622 /nfs/dbraw/zinc/54/36/22/891543622.db2.gz IXNIFOXFTWSGOT-HTQZYQBOSA-N 0 3 272.305 -1.675 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)NCC(=O)NC ZINC001443952388 891543652 /nfs/dbraw/zinc/54/36/52/891543652.db2.gz JIYZDJITXDXUQD-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](CNC(=O)[C@H](C)NC(C)=O)NCC(=O)NC ZINC001443887653 891543778 /nfs/dbraw/zinc/54/37/78/891543778.db2.gz LYQRZKDXOXJWPS-WPRPVWTQSA-N 0 3 272.349 -1.259 20 0 CAADHN CC[C@H](CNC(=O)CCS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001443956888 891543988 /nfs/dbraw/zinc/54/39/88/891543988.db2.gz QESSACIMXZUZHA-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN CC[C@@H](CNC(=O)CCc1cnn(C)n1)NCC(=O)NC ZINC001443977587 891544795 /nfs/dbraw/zinc/54/47/95/891544795.db2.gz FGZMVAHBYCABKM-JTQLQIEISA-N 0 3 296.375 -1.022 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCNC(=O)C1)N[C@H](C)C(N)=O ZINC001443963138 891545164 /nfs/dbraw/zinc/54/51/64/891545164.db2.gz KBMRRFCSPXTHGU-ZJUUUORDSA-N 0 3 299.375 -2.224 20 0 CAADHN CC[C@H](CNC(=O)CN1CCNC(=O)C1)N[C@@H](C)C(N)=O ZINC001443963134 891545409 /nfs/dbraw/zinc/54/54/09/891545409.db2.gz KBMRRFCSPXTHGU-VHSXEESVSA-N 0 3 299.375 -2.224 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(N)=O)N[C@@H](C)C(=O)NC ZINC001444042274 891545556 /nfs/dbraw/zinc/54/55/56/891545556.db2.gz ZFNYDRSQPUJDPG-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@H](CNC(=O)CCNC(N)=O)N[C@H](C)C(=O)NC ZINC001444042275 891546110 /nfs/dbraw/zinc/54/61/10/891546110.db2.gz ZFNYDRSQPUJDPG-RKDXNWHRSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)NCCF ZINC001444046643 891546450 /nfs/dbraw/zinc/54/64/50/891546450.db2.gz UTBRWXSCVNJLMD-QMMMGPOBSA-N 0 3 286.311 -1.169 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCNC(=O)C1)N[C@@H](C)C(N)=O ZINC001443963130 891546616 /nfs/dbraw/zinc/54/66/16/891546616.db2.gz KBMRRFCSPXTHGU-UWVGGRQHSA-N 0 3 299.375 -2.224 20 0 CAADHN CC[C@H](CNC(=O)c1cn(CC(N)=O)nn1)NCCF ZINC001444046642 891546653 /nfs/dbraw/zinc/54/66/53/891546653.db2.gz UTBRWXSCVNJLMD-MRVPVSSYSA-N 0 3 286.311 -1.169 20 0 CAADHN CC[C@H](CNC(=O)CCc1cnn(C)n1)NCC(=O)NC ZINC001443977592 891546789 /nfs/dbraw/zinc/54/67/89/891546789.db2.gz FGZMVAHBYCABKM-SNVBAGLBSA-N 0 3 296.375 -1.022 20 0 CAADHN CC[C@H](CNC(=O)c1cccc(=O)n1C)NCC(N)=O ZINC001443982700 891546839 /nfs/dbraw/zinc/54/68/39/891546839.db2.gz LLECVAQMMFDCKI-SECBINFHSA-N 0 3 280.328 -1.031 20 0 CAADHN Cn1ncc(C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)c1N ZINC001444102523 891553628 /nfs/dbraw/zinc/55/36/28/891553628.db2.gz MLRZLDJUIRXLNF-ZDUSSCGKSA-N 0 3 294.359 -1.024 20 0 CAADHN Cn1ncc(C(=O)N[C@](C)(CNCC(N)=O)C2CC2)c1N ZINC001444102522 891555134 /nfs/dbraw/zinc/55/51/34/891555134.db2.gz MLRZLDJUIRXLNF-CYBMUJFWSA-N 0 3 294.359 -1.024 20 0 CAADHN CNC(=O)CNC[C@@](C)(NC(=O)CNC(C)=O)C1CC1 ZINC001444095996 891555310 /nfs/dbraw/zinc/55/53/10/891555310.db2.gz WMORWGRZGKIHRM-CYBMUJFWSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@](C[NH2+]CC(N)=O)(NC(=O)Cc1nnc[n-]1)C1CC1 ZINC001444123135 891557828 /nfs/dbraw/zinc/55/78/28/891557828.db2.gz AHHWJHFDTMNQQC-GFCCVEGCSA-N 0 3 280.332 -1.293 20 0 CAADHN Cn1cc(C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)nn1 ZINC001444120524 891558522 /nfs/dbraw/zinc/55/85/22/891558522.db2.gz LXKCIPCDAIDCGY-LBPRGKRZSA-N 0 3 280.332 -1.212 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H]1CN[C@@H](C)C(=O)NC ZINC001444243024 891564172 /nfs/dbraw/zinc/56/41/72/891564172.db2.gz IRVVBASRORGKJQ-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC(C)C ZINC001445132615 891602987 /nfs/dbraw/zinc/60/29/87/891602987.db2.gz HZNMGPZQBROINF-UWVGGRQHSA-N 0 3 275.349 -1.387 20 0 CAADHN C[C@@H](CNC(=O)Cc1nnc[n-]1)C[NH2+]CC(=O)N(C)C ZINC001444404279 891573085 /nfs/dbraw/zinc/57/30/85/891573085.db2.gz IMDWSGDCTFZDJM-SECBINFHSA-N 0 3 282.348 -1.223 20 0 CAADHN C[C@@H](CNCc1nccn1C)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001444385887 891575464 /nfs/dbraw/zinc/57/54/64/891575464.db2.gz QJNMVJLTUQWSJY-UWVGGRQHSA-N 0 3 294.359 -1.057 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CNC(=O)N2)CCCC1 ZINC001444517513 891577853 /nfs/dbraw/zinc/57/78/53/891577853.db2.gz DKIGUCHHMXWZTC-SECBINFHSA-N 0 3 297.359 -1.568 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cn2ncnn2)CCCC1 ZINC001444502549 891577925 /nfs/dbraw/zinc/57/79/25/891577925.db2.gz AOMJSKHWLDAKCN-UHFFFAOYSA-N 0 3 281.320 -1.823 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCCO1 ZINC001444579067 891580045 /nfs/dbraw/zinc/58/00/45/891580045.db2.gz SVCNTNHPQSICCV-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCCO1 ZINC001444579056 891580074 /nfs/dbraw/zinc/58/00/74/891580074.db2.gz SVCNTNHPQSICCV-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)c1cnnn1C ZINC001444583385 891580276 /nfs/dbraw/zinc/58/02/76/891580276.db2.gz UPRJEJXORKWGPQ-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)CNC(=O)C1CC1 ZINC001444570165 891580788 /nfs/dbraw/zinc/58/07/88/891580788.db2.gz STVKWOBSQSXUDX-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCCO1 ZINC001444579058 891580866 /nfs/dbraw/zinc/58/08/66/891580866.db2.gz SVCNTNHPQSICCV-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN COC(=O)NCC(=O)N(C)[C@H](C)CN[C@H](C)C(N)=O ZINC001444569022 891580908 /nfs/dbraw/zinc/58/09/08/891580908.db2.gz PUZVOHFFVWVEQW-HTQZYQBOSA-N 0 3 274.321 -1.347 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)c1cnnn1C ZINC001444583379 891581125 /nfs/dbraw/zinc/58/11/25/891581125.db2.gz UPRJEJXORKWGPQ-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1COCCO1 ZINC001444579462 891581165 /nfs/dbraw/zinc/58/11/65/891581165.db2.gz WESHQZJMAGALCA-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001444577782 891581347 /nfs/dbraw/zinc/58/13/47/891581347.db2.gz FFENLSPRFPFVNI-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](C)CN[C@@H]1CCCNC1=O ZINC001444569349 891581436 /nfs/dbraw/zinc/58/14/36/891581436.db2.gz OHDBPSPMRQKJQD-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1COCCO1 ZINC001444579390 891581603 /nfs/dbraw/zinc/58/16/03/891581603.db2.gz WESHQZJMAGALCA-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@H](C)CN[C@H]1CCCNC1=O ZINC001444569344 891581793 /nfs/dbraw/zinc/58/17/93/891581793.db2.gz OHDBPSPMRQKJQD-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@H](C)CNCC(=O)N(C)C ZINC001444572186 891581823 /nfs/dbraw/zinc/58/18/23/891581823.db2.gz OXTNWZMLYGUQRN-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN COCC(=O)N(C)C[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001444583869 891581982 /nfs/dbraw/zinc/58/19/82/891581982.db2.gz VVXDZBPPMBIRSI-NSHDSACASA-N 0 3 289.376 -1.092 20 0 CAADHN CNC(=O)NCC(=O)N(C)[C@@H](C)CNCc1n[nH]c(C)n1 ZINC001444612836 891582914 /nfs/dbraw/zinc/58/29/14/891582914.db2.gz MBRZRWALQMWWEO-QMMMGPOBSA-N 0 3 297.363 -1.021 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001444616503 891583363 /nfs/dbraw/zinc/58/33/63/891583363.db2.gz SVNSNFADOQEHCV-IUCAKERBSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001444629233 891584241 /nfs/dbraw/zinc/58/42/41/891584241.db2.gz UPCPPYLKCPYXMO-QMMMGPOBSA-N 0 3 281.316 -1.684 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cnc[n-]c1=O ZINC001444642989 891584031 /nfs/dbraw/zinc/58/40/31/891584031.db2.gz PDBSGPJSIAZZIF-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001444640315 891584277 /nfs/dbraw/zinc/58/42/77/891584277.db2.gz RVJWMNFXSAWJNP-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001444655392 891584492 /nfs/dbraw/zinc/58/44/92/891584492.db2.gz XUIMXJQVDWZOHA-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)CCn1ccnn1 ZINC001444603324 891584847 /nfs/dbraw/zinc/58/48/47/891584847.db2.gz WVXGMLZSKYALOI-UWVGGRQHSA-N 0 3 282.348 -1.022 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001444626102 891584889 /nfs/dbraw/zinc/58/48/89/891584889.db2.gz LXWOATFOGONZAF-SFYZADRCSA-N 0 3 291.373 -1.659 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001444616500 891585019 /nfs/dbraw/zinc/58/50/19/891585019.db2.gz SVNSNFADOQEHCV-DTWKUNHWSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1ccnn1C ZINC001444598465 891585199 /nfs/dbraw/zinc/58/51/99/891585199.db2.gz YYRKRMWHYSQJKI-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001444616505 891585323 /nfs/dbraw/zinc/58/53/23/891585323.db2.gz SVNSNFADOQEHCV-RKDXNWHRSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccc2nnnn2c1 ZINC001444635259 891585543 /nfs/dbraw/zinc/58/55/43/891585543.db2.gz OCSNQPFSLQLPPS-MRVPVSSYSA-N 0 3 291.315 -1.340 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001444687240 891586345 /nfs/dbraw/zinc/58/63/45/891586345.db2.gz OGHKKHNPCYNEPF-SFYZADRCSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001444719436 891586695 /nfs/dbraw/zinc/58/66/95/891586695.db2.gz KRUFZNHAPJEZMU-QMMMGPOBSA-N 0 3 283.332 -1.741 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001444673957 891586788 /nfs/dbraw/zinc/58/67/88/891586788.db2.gz VLNSTKGPLGUBQU-ZANVPECISA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001444683669 891586814 /nfs/dbraw/zinc/58/68/14/891586814.db2.gz KFVGIEKHCBCNQI-SFYZADRCSA-N 0 3 294.377 -2.154 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)[C@H](C)CN[C@H](C)C(N)=O ZINC001444732365 891586927 /nfs/dbraw/zinc/58/69/27/891586927.db2.gz XFBRFKUOWILWOT-HTQZYQBOSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cc1cnc[nH]1 ZINC001444697861 891587054 /nfs/dbraw/zinc/58/70/54/891587054.db2.gz ZYPIKBBKXLHTJB-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H](C)NS(C)(=O)=O ZINC001444683671 891587191 /nfs/dbraw/zinc/58/71/91/891587191.db2.gz KFVGIEKHCBCNQI-YUMQZZPRSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H](C)NS(C)(=O)=O ZINC001444683666 891587338 /nfs/dbraw/zinc/58/73/38/891587338.db2.gz KFVGIEKHCBCNQI-HTQZYQBOSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cc(C(N)=O)ccn1 ZINC001444731769 891587445 /nfs/dbraw/zinc/58/74/45/891587445.db2.gz CPXPYAXSMPLMPN-MRVPVSSYSA-N 0 3 293.327 -1.284 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001444742919 891589201 /nfs/dbraw/zinc/58/92/01/891589201.db2.gz FCQZOLSNLUKFIB-VHSXEESVSA-N 0 3 284.360 -1.129 20 0 CAADHN COCC(=O)N[C@@H](CNCC(=O)NC(N)=O)CC(C)C ZINC001444739072 891589358 /nfs/dbraw/zinc/58/93/58/891589358.db2.gz MBQWKACMGWTSAA-SECBINFHSA-N 0 3 288.348 -1.052 20 0 CAADHN CC(C)[C@H](CNC(=O)c1ncn[nH]1)NCc1nnnn1C ZINC001444920489 891589895 /nfs/dbraw/zinc/58/98/95/891589895.db2.gz KBOLFHSZGNVEKX-QMMMGPOBSA-N 0 3 293.335 -1.128 20 0 CAADHN CC(C)[C@H](CNC(=O)c1nc[nH]n1)NCc1nnnn1C ZINC001444920489 891589907 /nfs/dbraw/zinc/58/99/07/891589907.db2.gz KBOLFHSZGNVEKX-QMMMGPOBSA-N 0 3 293.335 -1.128 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001444742916 891590122 /nfs/dbraw/zinc/59/01/22/891590122.db2.gz FCQZOLSNLUKFIB-NXEZZACHSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNCC(N)=O ZINC001444826941 891590161 /nfs/dbraw/zinc/59/01/61/891590161.db2.gz KTUNFXRCQOARQJ-UWVGGRQHSA-N 0 3 295.347 -1.625 20 0 CAADHN CC(C)[C@@H](CNC(=O)c1cnn(C)c1N)NCC(N)=O ZINC001444855891 891590267 /nfs/dbraw/zinc/59/02/67/891590267.db2.gz GCPPWXDSHSUBGI-SECBINFHSA-N 0 3 282.348 -1.168 20 0 CAADHN C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNCC(N)=O ZINC001444826939 891590333 /nfs/dbraw/zinc/59/03/33/891590333.db2.gz KTUNFXRCQOARQJ-NXEZZACHSA-N 0 3 295.347 -1.625 20 0 CAADHN CCNC(=O)CN[C@@H](CNC(=O)c1nnn(C)n1)C(C)C ZINC001444923290 891590903 /nfs/dbraw/zinc/59/09/03/891590903.db2.gz ZWQZMBYYORQZTP-VIFPVBQESA-N 0 3 297.363 -1.310 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)CNC(C)=O)C(C)C ZINC001444842250 891590971 /nfs/dbraw/zinc/59/09/71/891590971.db2.gz NMVUTMIDMAJUJY-LLVKDONJSA-N 0 3 286.376 -1.011 20 0 CAADHN Cc1c(C(=O)NC[C@H](NCC(N)=O)C(C)C)nnn1C ZINC001444854813 891591087 /nfs/dbraw/zinc/59/10/87/891591087.db2.gz ARGLFAAFPAJECO-VIFPVBQESA-N 0 3 282.348 -1.047 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)c1nnn(C)n1)C(C)C ZINC001444923289 891591141 /nfs/dbraw/zinc/59/11/41/891591141.db2.gz ZWQZMBYYORQZTP-SECBINFHSA-N 0 3 297.363 -1.310 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)CCNS(C)(=O)=O ZINC001444990974 891592994 /nfs/dbraw/zinc/59/29/94/891592994.db2.gz QWIBXPFNUKSMJA-JTQLQIEISA-N 0 3 295.405 -1.303 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001445034419 891594067 /nfs/dbraw/zinc/59/40/67/891594067.db2.gz PFQMIHCDGDCSSR-OUAUKWLOSA-N 0 3 287.360 -1.210 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)Cn1cnc(C(N)=O)n1 ZINC001444984582 891594803 /nfs/dbraw/zinc/59/48/03/891594803.db2.gz AVVHVBKFAKKKAC-SECBINFHSA-N 0 3 298.347 -1.852 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)C1=COCCO1)C(N)=O ZINC001445129516 891597149 /nfs/dbraw/zinc/59/71/49/891597149.db2.gz DKRODWHBMTYLOO-BDAKNGLRSA-N 0 3 287.316 -1.795 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)n1C ZINC001445131559 891597220 /nfs/dbraw/zinc/59/72/20/891597220.db2.gz JFHZIZAAFKGAKV-MNOVXSKESA-N 0 3 294.355 -1.098 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H](O)CNC(=O)COC ZINC001445105922 891597652 /nfs/dbraw/zinc/59/76/52/891597652.db2.gz FYOMYFDNZSDFCM-QMMMGPOBSA-N 0 3 290.320 -2.455 20 0 CAADHN COCC(=O)NC[C@@H](O)CNCC(=O)NC(C)(C)C ZINC001445119229 891597684 /nfs/dbraw/zinc/59/76/84/891597684.db2.gz UNHFVBQOKCDBCT-VIFPVBQESA-N 0 3 275.349 -1.386 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C1CCOCC1 ZINC001445114717 891597790 /nfs/dbraw/zinc/59/77/90/891597790.db2.gz FLESPTUAZXJVMP-MWLCHTKSSA-N 0 3 287.360 -1.386 20 0 CAADHN CC(C)OCC(=O)NC[C@@H](O)CN[C@H]1CCCNC1=O ZINC001445128367 891597962 /nfs/dbraw/zinc/59/79/62/891597962.db2.gz DKDHYRZSVDSIIG-QWRGUYRKSA-N 0 3 287.360 -1.243 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1C ZINC001445129393 891598046 /nfs/dbraw/zinc/59/80/46/891598046.db2.gz HETOROLUZMWEIL-NXEZZACHSA-N 0 3 282.344 -1.112 20 0 CAADHN COCC(=O)NC[C@H](O)CNCC(=O)N(C)C1CC1 ZINC001445117090 891598140 /nfs/dbraw/zinc/59/81/40/891598140.db2.gz QOODFXHZGRGRDI-SNVBAGLBSA-N 0 3 273.333 -1.680 20 0 CAADHN CC(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001445108428 891598168 /nfs/dbraw/zinc/59/81/68/891598168.db2.gz JGURIYFZZCWNDW-WCBMZHEXSA-N 0 3 288.348 -1.304 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)n(C)n1 ZINC001445128271 891598365 /nfs/dbraw/zinc/59/83/65/891598365.db2.gz DBWARSIAWUHXQF-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)n1C ZINC001445129397 891598417 /nfs/dbraw/zinc/59/84/17/891598417.db2.gz HETOROLUZMWEIL-UWVGGRQHSA-N 0 3 282.344 -1.112 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1C ZINC001445129407 891598541 /nfs/dbraw/zinc/59/85/41/891598541.db2.gz HETOROLUZMWEIL-ZJUUUORDSA-N 0 3 282.344 -1.112 20 0 CAADHN CCC(=O)NC[C@H](O)CNCC(=O)NC[C@@H]1CCCO1 ZINC001445121271 891598904 /nfs/dbraw/zinc/59/89/04/891598904.db2.gz WYKGNGZEWCYSOL-MNOVXSKESA-N 0 3 287.360 -1.242 20 0 CAADHN CCn1nnc(C)c1CNC[C@H](O)CNC(=O)COC ZINC001445105080 891599118 /nfs/dbraw/zinc/59/91/18/891599118.db2.gz FDEWKUIZQBHUDX-JTQLQIEISA-N 0 3 285.348 -1.180 20 0 CAADHN C[C@H]1CN(C(=O)CNC[C@H](O)CNC(=O)C2CC2)CCO1 ZINC001445112802 891599700 /nfs/dbraw/zinc/59/97/00/891599700.db2.gz COINABHPUDUYQU-JQWIXIFHSA-N 0 3 299.371 -1.290 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN(C)[C@H](C)COC ZINC001445096763 891600078 /nfs/dbraw/zinc/60/00/78/891600078.db2.gz ZDBVKCUPPMFWBJ-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)C2CCOCC2)C1=O ZINC001445111443 891600210 /nfs/dbraw/zinc/60/02/10/891600210.db2.gz ANDBYJNMZOENBR-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCCCO1)NC1CC1 ZINC001445146499 891601400 /nfs/dbraw/zinc/60/14/00/891601400.db2.gz ALJVEUCMUNLSCQ-RYUDHWBXSA-N 0 3 299.371 -1.099 20 0 CAADHN CC[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001445145018 891601441 /nfs/dbraw/zinc/60/14/41/891601441.db2.gz XYQVSHDOLNYONH-YUMQZZPRSA-N 0 3 274.321 -1.706 20 0 CAADHN CC[C@H](C)C(=O)NC[C@H](O)CNCC(=O)NC(=O)NC ZINC001445145275 891601522 /nfs/dbraw/zinc/60/15/22/891601522.db2.gz ZKZLWKHWFSADLM-DTWKUNHWSA-N 0 3 288.348 -1.445 20 0 CAADHN O=C(NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O)c1ccccc1[O-] ZINC001445134280 891601613 /nfs/dbraw/zinc/60/16/13/891601613.db2.gz KEVZNLBBWWOQAP-GXSJLCMTSA-N 0 3 293.323 -1.039 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cn1cccn1 ZINC001445132368 891601722 /nfs/dbraw/zinc/60/17/22/891601722.db2.gz KPJVKMRUNKZPLV-JTQLQIEISA-N 0 3 283.332 -1.962 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccn(C)c1 ZINC001445146638 891601924 /nfs/dbraw/zinc/60/19/24/891601924.db2.gz ASJHMZIVKJQNFO-NSHDSACASA-N 0 3 282.344 -1.159 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(=O)N(C)C)cnn1 ZINC001445147347 891601951 /nfs/dbraw/zinc/60/19/51/891601951.db2.gz COMOFJJABBHWMU-LLVKDONJSA-N 0 3 295.343 -1.446 20 0 CAADHN CC[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001445145016 891602135 /nfs/dbraw/zinc/60/21/35/891602135.db2.gz XYQVSHDOLNYONH-SFYZADRCSA-N 0 3 274.321 -1.706 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)CC(C)(C)O)C(=O)N(C)C ZINC001445147169 891602271 /nfs/dbraw/zinc/60/22/71/891602271.db2.gz CEJQBSKAGAWRRJ-VHSXEESVSA-N 0 3 289.376 -1.309 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001445137137 891602302 /nfs/dbraw/zinc/60/23/02/891602302.db2.gz PEHUAUKFKPDJOI-JTQLQIEISA-N 0 3 296.327 -1.058 20 0 CAADHN CO[C@@H](C(=O)NC[C@H](O)CNCC(=O)N1CCC1)C1CC1 ZINC001445145514 891602366 /nfs/dbraw/zinc/60/23/66/891602366.db2.gz BUDSEOASOOFDQJ-DGCLKSJQSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CC(F)(F)F ZINC001445140576 891602434 /nfs/dbraw/zinc/60/24/34/891602434.db2.gz WIRUXXIAWCAZIY-LURJTMIESA-N 0 3 271.239 -1.249 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](O)CNCC(=O)NC(C)C ZINC001445132620 891602456 /nfs/dbraw/zinc/60/24/56/891602456.db2.gz HZNMGPZQBROINF-VHSXEESVSA-N 0 3 275.349 -1.387 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001445140258 891602481 /nfs/dbraw/zinc/60/24/81/891602481.db2.gz LQPHTGQKSLQCMN-JOYOIKCWSA-N 0 3 297.359 -1.489 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccnn1C ZINC001445137083 891602567 /nfs/dbraw/zinc/60/25/67/891602567.db2.gz OYXMSZCAGWGXSL-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)on1 ZINC001445134586 891602706 /nfs/dbraw/zinc/60/27/06/891602706.db2.gz OXMPJDAGTCQDCC-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnc(C)cn1 ZINC001445138109 891602733 /nfs/dbraw/zinc/60/27/33/891602733.db2.gz KIOBNPGNFWZWRF-VIFPVBQESA-N 0 3 281.316 -1.789 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)cnn1C ZINC001445145022 891602801 /nfs/dbraw/zinc/60/28/01/891602801.db2.gz YFLYXIFMZCLVTO-APPZFPTMSA-N 0 3 283.332 -1.717 20 0 CAADHN CO[C@H](C(=O)NC[C@H](O)CNCC(=O)N1CCC1)C1CC1 ZINC001445145517 891603040 /nfs/dbraw/zinc/60/30/40/891603040.db2.gz BUDSEOASOOFDQJ-YPMHNXCESA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CC(C)(C)O)C(=O)N(C)C ZINC001445147164 891603060 /nfs/dbraw/zinc/60/30/60/891603060.db2.gz CEJQBSKAGAWRRJ-UWVGGRQHSA-N 0 3 289.376 -1.309 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)cnn1 ZINC001445147354 891603251 /nfs/dbraw/zinc/60/32/51/891603251.db2.gz COMOFJJABBHWMU-NSHDSACASA-N 0 3 295.343 -1.446 20 0 CAADHN CC(C)CCC(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001445132231 891603271 /nfs/dbraw/zinc/60/32/71/891603271.db2.gz GFHVSYFMYNPHDP-SECBINFHSA-N 0 3 288.348 -1.316 20 0 CAADHN CC[C@H](C)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001445145014 891603394 /nfs/dbraw/zinc/60/33/94/891603394.db2.gz XYQVSHDOLNYONH-JGVFFNPUSA-N 0 3 274.321 -1.706 20 0 CAADHN Cc1[nH]nc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)c1C ZINC001445145372 891603416 /nfs/dbraw/zinc/60/34/16/891603416.db2.gz CICLAWZWSUNSFO-NXEZZACHSA-N 0 3 295.343 -1.405 20 0 CAADHN CCCCC(=O)NC[C@H](O)CNCC(=O)NC(=O)NC ZINC001445134237 891603453 /nfs/dbraw/zinc/60/34/53/891603453.db2.gz KBFKWFAPOGHZED-SECBINFHSA-N 0 3 288.348 -1.301 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)on1 ZINC001445134545 891603773 /nfs/dbraw/zinc/60/37/73/891603773.db2.gz OXMPJDAGTCQDCC-NXEZZACHSA-N 0 3 296.327 -1.106 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CC(C)(C)O)C(=O)N(C)C ZINC001445147172 891604120 /nfs/dbraw/zinc/60/41/20/891604120.db2.gz CEJQBSKAGAWRRJ-ZJUUUORDSA-N 0 3 289.376 -1.309 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)[nH]1 ZINC001445147528 891605208 /nfs/dbraw/zinc/60/52/08/891605208.db2.gz FOSSSZXUKFZRMX-BDAKNGLRSA-N 0 3 281.316 -1.713 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)c2cnsn2)n[nH]1 ZINC001445150745 891605500 /nfs/dbraw/zinc/60/55/00/891605500.db2.gz HDXXZWWTVKRPJN-SSDOTTSWSA-N 0 3 297.344 -1.155 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cncnc1C ZINC001445151011 891605706 /nfs/dbraw/zinc/60/57/06/891605706.db2.gz HZGCMONTKRDSIV-VIFPVBQESA-N 0 3 281.316 -1.789 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)c2cocn2)C1=O ZINC001445149700 891606034 /nfs/dbraw/zinc/60/60/34/891606034.db2.gz GWEBHTWOCBTOKV-DTWKUNHWSA-N 0 3 282.300 -1.414 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001445153717 891606241 /nfs/dbraw/zinc/60/62/41/891606241.db2.gz HOBINHSWCXZOHR-IUCAKERBSA-N 0 3 296.327 -1.269 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)ncn1 ZINC001445148963 891606372 /nfs/dbraw/zinc/60/63/72/891606372.db2.gz FQNVYDMBMXEBPF-NXEZZACHSA-N 0 3 293.327 -1.646 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1nccn1CC ZINC001445151002 891607182 /nfs/dbraw/zinc/60/71/82/891607182.db2.gz HAAUSWKSFHRMHI-JTQLQIEISA-N 0 3 297.359 -1.281 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCNC(=O)C1 ZINC001445152077 891607317 /nfs/dbraw/zinc/60/73/17/891607317.db2.gz JDOXJKUNVQSQMC-JGVFFNPUSA-N 0 3 272.305 -2.935 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnnn1C ZINC001445149410 891607386 /nfs/dbraw/zinc/60/73/86/891607386.db2.gz DYCZEPSGMKHQPD-JGVFFNPUSA-N 0 3 284.320 -2.370 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001445151883 891607477 /nfs/dbraw/zinc/60/74/77/891607477.db2.gz JPYBQXCLYLAOPO-MWLCHTKSSA-N 0 3 295.343 -1.703 20 0 CAADHN Cc1ncc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)[nH]1 ZINC001445147543 891607622 /nfs/dbraw/zinc/60/76/22/891607622.db2.gz FOSSSZXUKFZRMX-RKDXNWHRSA-N 0 3 281.316 -1.713 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CNCc1n[nH]c(C)n1 ZINC001445151504 891607644 /nfs/dbraw/zinc/60/76/44/891607644.db2.gz IOJBCIZVEAPPDU-VIFPVBQESA-N 0 3 298.347 -1.794 20 0 CAADHN CCc1ocnc1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001445149815 891607764 /nfs/dbraw/zinc/60/77/64/891607764.db2.gz DUFYUNSJLUFCBH-IUCAKERBSA-N 0 3 296.327 -1.194 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnnn1C ZINC001445149418 891607774 /nfs/dbraw/zinc/60/77/74/891607774.db2.gz DYCZEPSGMKHQPD-YUMQZZPRSA-N 0 3 284.320 -2.370 20 0 CAADHN CCc1ocnc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001445149813 891607876 /nfs/dbraw/zinc/60/78/76/891607876.db2.gz DUFYUNSJLUFCBH-DTWKUNHWSA-N 0 3 296.327 -1.194 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CNCc1n[nH]c(C)n1 ZINC001445151480 891608020 /nfs/dbraw/zinc/60/80/20/891608020.db2.gz IOJBCIZVEAPPDU-SECBINFHSA-N 0 3 298.347 -1.794 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CN(C)CCO1 ZINC001445161573 891609363 /nfs/dbraw/zinc/60/93/63/891609363.db2.gz SITCSPXUHDYTNM-NXEZZACHSA-N 0 3 288.348 -2.870 20 0 CAADHN CC1CC(C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)C1 ZINC001445161913 891609507 /nfs/dbraw/zinc/60/95/07/891609507.db2.gz XUGWJHUDGZBKHE-HACHORDNSA-N 0 3 286.332 -1.706 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cccc(=O)[nH]1 ZINC001445159198 891609594 /nfs/dbraw/zinc/60/95/94/891609594.db2.gz NQZYLIVZVLRWSG-IUCAKERBSA-N 0 3 294.311 -1.644 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cccc(=O)[nH]1)C(N)=O ZINC001445162934 891609917 /nfs/dbraw/zinc/60/99/17/891609917.db2.gz SWCRXLMWJJXPEK-SFYZADRCSA-N 0 3 282.300 -1.659 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1cccnc1 ZINC001445157281 891609946 /nfs/dbraw/zinc/60/99/46/891609946.db2.gz POLRDOQNLDMOFN-LBPRGKRZSA-N 0 3 294.355 -1.173 20 0 CAADHN CC1CC(C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)C1 ZINC001445161911 891610104 /nfs/dbraw/zinc/61/01/04/891610104.db2.gz XUGWJHUDGZBKHE-AMDVSUOASA-N 0 3 286.332 -1.706 20 0 CAADHN COC1(CC(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)CCC1 ZINC001445164085 891610285 /nfs/dbraw/zinc/61/02/85/891610285.db2.gz XAQFFFGMKFXBQC-QWRGUYRKSA-N 0 3 299.371 -1.099 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)[C@@H]1CCCOC1)N1CCC1 ZINC001445162888 891610316 /nfs/dbraw/zinc/61/03/16/891610316.db2.gz SXQNMKMNEPDNRP-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cscn1 ZINC001445165839 891610332 /nfs/dbraw/zinc/61/03/32/891610332.db2.gz XPTDJQRRKUWYBV-QMMMGPOBSA-N 0 3 286.357 -1.088 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1nccc(C)n1 ZINC001445164221 891610547 /nfs/dbraw/zinc/61/05/47/891610547.db2.gz XMIYMGBALPCAKX-UWVGGRQHSA-N 0 3 295.343 -1.400 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001445161949 891610570 /nfs/dbraw/zinc/61/05/70/891610570.db2.gz SITCSPXUHDYTNM-UWVGGRQHSA-N 0 3 288.348 -2.870 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cccc(=O)[nH]1 ZINC001445159202 891610611 /nfs/dbraw/zinc/61/06/11/891610611.db2.gz NQZYLIVZVLRWSG-RKDXNWHRSA-N 0 3 294.311 -1.644 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)c1 ZINC001445162198 891610709 /nfs/dbraw/zinc/61/07/09/891610709.db2.gz YTAULTPUEITREZ-SNVBAGLBSA-N 0 3 295.343 -1.667 20 0 CAADHN C[C@@H](C(=O)NC[C@H](O)CNCC(=O)N(C)C)n1cccn1 ZINC001445166987 891610973 /nfs/dbraw/zinc/61/09/73/891610973.db2.gz ZBSJEOIQXYYEOI-WDEREUQCSA-N 0 3 297.359 -1.401 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001445159195 891611032 /nfs/dbraw/zinc/61/10/32/891611032.db2.gz NHFLMXRYDMAASW-JTQLQIEISA-N 0 3 299.331 -1.657 20 0 CAADHN O=C(C[C@H]1CCCO1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001445167072 891611128 /nfs/dbraw/zinc/61/11/28/891611128.db2.gz ZRFQOEHANCDXBL-NWDGAFQWSA-N 0 3 299.371 -1.146 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnnc(C)c1 ZINC001445155231 891611174 /nfs/dbraw/zinc/61/11/74/891611174.db2.gz LRWQCJRAWZHVNI-SNVBAGLBSA-N 0 3 281.316 -1.789 20 0 CAADHN Cc1nc(C(=O)NC[C@H](O)CNCC(=O)N2CCC2)co1 ZINC001445157636 891611372 /nfs/dbraw/zinc/61/13/72/891611372.db2.gz ZRNOWJYSDWMSFR-SNVBAGLBSA-N 0 3 296.327 -1.104 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1cc[nH]c(=O)c1 ZINC001445162681 891611533 /nfs/dbraw/zinc/61/15/33/891611533.db2.gz ZDCNTAHCTURACX-UWVGGRQHSA-N 0 3 294.311 -1.644 20 0 CAADHN CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNCC(N)=O)nn1 ZINC001445185212 891612522 /nfs/dbraw/zinc/61/25/22/891612522.db2.gz BKEYTTUHZBXYOK-QMMMGPOBSA-N 0 3 298.347 -1.801 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1ncn(C)n1 ZINC001445177757 891613016 /nfs/dbraw/zinc/61/30/16/891613016.db2.gz DVOFUBYGHKWKGB-VIFPVBQESA-N 0 3 298.347 -1.978 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001445186061 891613405 /nfs/dbraw/zinc/61/34/05/891613405.db2.gz LTQLTTJRULKKKL-SECBINFHSA-N 0 3 297.315 -2.049 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001445184873 891613466 /nfs/dbraw/zinc/61/34/66/891613466.db2.gz JWMHXHQOXFLULP-JTQLQIEISA-N 0 3 297.359 -1.043 20 0 CAADHN Cn1ncc(C2CC2)c1C(=O)NC[C@H](O)CNCC(N)=O ZINC001445187606 891613485 /nfs/dbraw/zinc/61/34/85/891613485.db2.gz DBGVGTTYSSQPOB-SECBINFHSA-N 0 3 295.343 -1.537 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cc2n(n1)CCO2)C(N)=O ZINC001445184570 891613540 /nfs/dbraw/zinc/61/35/40/891613540.db2.gz HITFJQBZJDISPW-SFYZADRCSA-N 0 3 297.315 -2.170 20 0 CAADHN Cc1c(CCC(=O)NC[C@@H](O)CNCC(N)=O)cnn1C ZINC001445182007 891613903 /nfs/dbraw/zinc/61/39/03/891613903.db2.gz NRRRIJWNWPNOKR-NSHDSACASA-N 0 3 297.359 -1.787 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccc(C)nn1)C(N)=O ZINC001445180893 891614108 /nfs/dbraw/zinc/61/41/08/891614108.db2.gz LHGRTFROLIJKEB-VHSXEESVSA-N 0 3 295.343 -1.271 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cn[nH]c(=O)c1 ZINC001445190292 891614202 /nfs/dbraw/zinc/61/42/02/891614202.db2.gz RNEBPPKIWYNLDZ-VXNVDRBHSA-N 0 3 297.315 -2.003 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001445188494 891614223 /nfs/dbraw/zinc/61/42/23/891614223.db2.gz UKHBDUJVZKGRMN-VHSXEESVSA-N 0 3 295.343 -1.703 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)c1ncc[nH]1 ZINC001445184877 891614696 /nfs/dbraw/zinc/61/46/96/891614696.db2.gz JWMHXHQOXFLULP-SNVBAGLBSA-N 0 3 297.359 -1.043 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001445182774 891614805 /nfs/dbraw/zinc/61/48/05/891614805.db2.gz NIFPFWZRKGWTGV-JTQLQIEISA-N 0 3 295.343 -1.323 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001445180330 891614830 /nfs/dbraw/zinc/61/48/30/891614830.db2.gz GSNOHFYSRQEEAD-NXEZZACHSA-N 0 3 285.344 -1.753 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001445207075 891615994 /nfs/dbraw/zinc/61/59/94/891615994.db2.gz KHGCDPBFLKBDCG-MNOVXSKESA-N 0 3 295.343 -1.853 20 0 CAADHN COCCC1(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001445211334 891616119 /nfs/dbraw/zinc/61/61/19/891616119.db2.gz UQETVXJJAUNHFG-QWRGUYRKSA-N 0 3 299.371 -1.242 20 0 CAADHN COCCC1(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001445211322 891616204 /nfs/dbraw/zinc/61/62/04/891616204.db2.gz UQETVXJJAUNHFG-GHMZBOCLSA-N 0 3 299.371 -1.242 20 0 CAADHN CO[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)C1CCC1 ZINC001445212477 891616261 /nfs/dbraw/zinc/61/62/61/891616261.db2.gz XCDVMMDENTTXGN-MWLCHTKSSA-N 0 3 273.333 -1.647 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001445207077 891616622 /nfs/dbraw/zinc/61/66/22/891616622.db2.gz KHGCDPBFLKBDCG-QWRGUYRKSA-N 0 3 295.343 -1.853 20 0 CAADHN CCCc1n[nH]cc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001445198080 891616696 /nfs/dbraw/zinc/61/66/96/891616696.db2.gz HOVQRKZFCPRTBG-VIFPVBQESA-N 0 3 297.359 -1.212 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cnco1)C(=O)N(C)C ZINC001445209708 891616985 /nfs/dbraw/zinc/61/69/85/891616985.db2.gz UILXNUYTXYZRDW-DTWKUNHWSA-N 0 3 284.316 -1.168 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CN1CCCNC1=O ZINC001445205511 891617035 /nfs/dbraw/zinc/61/70/35/891617035.db2.gz OHVTVCHCXXPPLC-QMMMGPOBSA-N 0 3 287.320 -3.046 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001445207067 891617124 /nfs/dbraw/zinc/61/71/24/891617124.db2.gz KHGCDPBFLKBDCG-GHMZBOCLSA-N 0 3 295.343 -1.853 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001445201436 891617450 /nfs/dbraw/zinc/61/74/50/891617450.db2.gz WRHGZZZRTJADSF-ZETCQYMHSA-N 0 3 270.293 -2.536 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1(CCF)CC1 ZINC001445211130 891617486 /nfs/dbraw/zinc/61/74/86/891617486.db2.gz WSIMXAQJMRYQIA-SECBINFHSA-N 0 3 275.324 -1.061 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001445202120 891617722 /nfs/dbraw/zinc/61/77/22/891617722.db2.gz JHUUSWLPXMYKPZ-DWOGUGJQSA-N 0 3 283.328 -2.038 20 0 CAADHN COCCC1(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001445211328 891617938 /nfs/dbraw/zinc/61/79/38/891617938.db2.gz UQETVXJJAUNHFG-MNOVXSKESA-N 0 3 299.371 -1.242 20 0 CAADHN O=C(CCc1c[nH]cn1)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001445216159 891618060 /nfs/dbraw/zinc/61/80/60/891618060.db2.gz ZKDJTIRSNKYEBK-QWRGUYRKSA-N 0 3 295.343 -1.703 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1ccon1)C(N)=O ZINC001445216373 891618114 /nfs/dbraw/zinc/61/81/14/891618114.db2.gz ULCXSPUWOUDEOH-PSASIEDQSA-N 0 3 284.316 -1.452 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cncn1C ZINC001445210560 891618130 /nfs/dbraw/zinc/61/81/30/891618130.db2.gz UHTNOPIRLYLIEE-RKDXNWHRSA-N 0 3 283.332 -1.765 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccnc(OC)n1 ZINC001445210602 891618241 /nfs/dbraw/zinc/61/82/41/891618241.db2.gz MWADZJCNIUUIHU-QMMMGPOBSA-N 0 3 297.315 -2.089 20 0 CAADHN COc1ccncc1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001445209461 891618253 /nfs/dbraw/zinc/61/82/53/891618253.db2.gz OELAEDCRPCLULN-JTQLQIEISA-N 0 3 296.327 -1.815 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cc(C2CC2)on1 ZINC001445200594 891618341 /nfs/dbraw/zinc/61/83/41/891618341.db2.gz HRXIQUMGDZTUPU-VIFPVBQESA-N 0 3 296.327 -1.022 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cnco1)C(=O)N(C)C ZINC001445209722 891618359 /nfs/dbraw/zinc/61/83/59/891618359.db2.gz UILXNUYTXYZRDW-RKDXNWHRSA-N 0 3 284.316 -1.168 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1n[nH]c2c1CCCC2 ZINC001445192043 891618372 /nfs/dbraw/zinc/61/83/72/891618372.db2.gz CGDLTNNLXWPLLB-MRVPVSSYSA-N 0 3 295.343 -1.546 20 0 CAADHN O=C(CCc1c[nH]cn1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001445215585 891618445 /nfs/dbraw/zinc/61/84/45/891618445.db2.gz ZKDJTIRSNKYEBK-GHMZBOCLSA-N 0 3 295.343 -1.703 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)n1 ZINC001445219830 891619409 /nfs/dbraw/zinc/61/94/09/891619409.db2.gz PMZDYAOTNBQWOJ-SFYZADRCSA-N 0 3 297.319 -2.879 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)c1n[nH]cc1F ZINC001445242074 891619531 /nfs/dbraw/zinc/61/95/31/891619531.db2.gz SZORATRQSACLAQ-CBAPKCEASA-N 0 3 299.306 -1.492 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001445220726 891619868 /nfs/dbraw/zinc/61/98/68/891619868.db2.gz QIERKODXBFSWHD-RQJHMYQMSA-N 0 3 285.308 -2.975 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001445220687 891619768 /nfs/dbraw/zinc/61/97/68/891619768.db2.gz QIERKODXBFSWHD-BQBZGAKWSA-N 0 3 285.308 -2.975 20 0 CAADHN CC[C@H](F)C(=O)NC[C@H](O)CNCC(=O)NC(=O)NC ZINC001445221891 891619884 /nfs/dbraw/zinc/61/98/84/891619884.db2.gz IRNDJWIZQSMMJR-SFYZADRCSA-N 0 3 292.311 -1.743 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001445221626 891619901 /nfs/dbraw/zinc/61/99/01/891619901.db2.gz UZBGREIPCNHOCM-DCQANWLSSA-N 0 3 299.371 -1.530 20 0 CAADHN CC[C@@H](F)C(=O)NC[C@H](O)CNCC(=O)NC(=O)NC ZINC001445221887 891620059 /nfs/dbraw/zinc/62/00/59/891620059.db2.gz IRNDJWIZQSMMJR-HTQZYQBOSA-N 0 3 292.311 -1.743 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C[C@H]1CCOC1 ZINC001445222472 891620279 /nfs/dbraw/zinc/62/02/79/891620279.db2.gz GEIQFZIMQUMAAC-NXEZZACHSA-N 0 3 273.333 -1.774 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1cnoc1 ZINC001445224427 891620297 /nfs/dbraw/zinc/62/02/97/891620297.db2.gz DUKILXIRIMTMKO-JTQLQIEISA-N 0 3 284.316 -1.628 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)n1 ZINC001445219823 891620321 /nfs/dbraw/zinc/62/03/21/891620321.db2.gz PMZDYAOTNBQWOJ-HTQZYQBOSA-N 0 3 297.319 -2.879 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H](O)CN[C@@H]2CCN(C)C2=O)n1 ZINC001445219828 891620472 /nfs/dbraw/zinc/62/04/72/891620472.db2.gz PMZDYAOTNBQWOJ-JGVFFNPUSA-N 0 3 297.319 -2.879 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C[C@H]1CCOC1 ZINC001445222474 891620524 /nfs/dbraw/zinc/62/05/24/891620524.db2.gz GEIQFZIMQUMAAC-ZJUUUORDSA-N 0 3 273.333 -1.774 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001445229284 891620536 /nfs/dbraw/zinc/62/05/36/891620536.db2.gz UGYFWFMYQCHHKU-SNVBAGLBSA-N 0 3 295.343 -1.323 20 0 CAADHN CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1c(C)nc[n-]c1=O ZINC001445222208 891620676 /nfs/dbraw/zinc/62/06/76/891620676.db2.gz AUWJPFCDDISSQS-QMMMGPOBSA-N 0 3 297.315 -2.083 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](O)CN[C@H]1CCCNC1=O ZINC001445224663 891620745 /nfs/dbraw/zinc/62/07/45/891620745.db2.gz KATKVFXYIYPULJ-KOLCDFICSA-N 0 3 296.327 -1.058 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001445224661 891620779 /nfs/dbraw/zinc/62/07/79/891620779.db2.gz KATKVFXYIYPULJ-GXSJLCMTSA-N 0 3 296.327 -1.058 20 0 CAADHN Cn1c(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)c[nH]c1=O ZINC001445231739 891621774 /nfs/dbraw/zinc/62/17/74/891621774.db2.gz YRRZKPJDQGMRHR-HTQZYQBOSA-N 0 3 297.315 -2.306 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001445221641 891621981 /nfs/dbraw/zinc/62/19/81/891621981.db2.gz UZBGREIPCNHOCM-MEWQQHAOSA-N 0 3 299.371 -1.530 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cn1nc(C)cc1C ZINC001445220356 891622013 /nfs/dbraw/zinc/62/20/13/891622013.db2.gz WCUDFABZXILYPS-LLVKDONJSA-N 0 3 297.359 -1.687 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CCc1cn[nH]c1 ZINC001445240943 891622038 /nfs/dbraw/zinc/62/20/38/891622038.db2.gz QNMRBMPAPGVKCF-GXSJLCMTSA-N 0 3 297.359 -1.457 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)c1ccnnc1 ZINC001445243086 891622062 /nfs/dbraw/zinc/62/20/62/891622062.db2.gz KABCIZOHGCYNAS-LLVKDONJSA-N 0 3 295.343 -1.319 20 0 CAADHN Cc1conc1CNC[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001445259179 891623074 /nfs/dbraw/zinc/62/30/74/891623074.db2.gz UDPNNNNYPGSNSG-QMMMGPOBSA-N 0 3 280.288 -1.018 20 0 CAADHN Cc1conc1CNC[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001445259179 891623080 /nfs/dbraw/zinc/62/30/80/891623080.db2.gz UDPNNNNYPGSNSG-QMMMGPOBSA-N 0 3 280.288 -1.018 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ocnc1C1CC1 ZINC001445248177 891623135 /nfs/dbraw/zinc/62/31/35/891623135.db2.gz PULGETQIUFXEHU-MRVPVSSYSA-N 0 3 282.300 -1.282 20 0 CAADHN CCCn1cc(C(=O)NC[C@@H](O)CNCC(=O)NC)cn1 ZINC001445251211 891623240 /nfs/dbraw/zinc/62/32/40/891623240.db2.gz KVSFNYDLVBWYSG-NSHDSACASA-N 0 3 297.359 -1.281 20 0 CAADHN CCCn1cc(C(=O)NC[C@H](O)CNCC(=O)NC)cn1 ZINC001445251208 891623277 /nfs/dbraw/zinc/62/32/77/891623277.db2.gz KVSFNYDLVBWYSG-LLVKDONJSA-N 0 3 297.359 -1.281 20 0 CAADHN CCn1cc(CNC[C@H](O)CNC(=O)c2ncn[nH]2)nn1 ZINC001445255966 891623381 /nfs/dbraw/zinc/62/33/81/891623381.db2.gz PJFKYDLNLMMGEF-VIFPVBQESA-N 0 3 294.319 -1.703 20 0 CAADHN CCn1cc(CNC[C@H](O)CNC(=O)c2nc[nH]n2)nn1 ZINC001445255966 891623385 /nfs/dbraw/zinc/62/33/85/891623385.db2.gz PJFKYDLNLMMGEF-VIFPVBQESA-N 0 3 294.319 -1.703 20 0 CAADHN C[C@H](CC(=O)NC[C@H](O)CNCC(N)=O)n1ccnc1 ZINC001445248033 891623538 /nfs/dbraw/zinc/62/35/38/891623538.db2.gz HNLIAHPCNQHFNQ-NXEZZACHSA-N 0 3 283.332 -1.614 20 0 CAADHN CC(C)(C)NC(=O)CNC[C@@H](O)CNC(=O)c1cnon1 ZINC001445262348 891623667 /nfs/dbraw/zinc/62/36/67/891623667.db2.gz XQYDIMDJXWALLT-MRVPVSSYSA-N 0 3 299.331 -1.335 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001445274187 891623734 /nfs/dbraw/zinc/62/37/34/891623734.db2.gz AWWFRIHWQWYKCZ-DTWKUNHWSA-N 0 3 281.316 -1.713 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)Cn1cncn1)NC1CC1 ZINC001445269557 891623821 /nfs/dbraw/zinc/62/38/21/891623821.db2.gz KSKRJSIZBOLZMC-JTQLQIEISA-N 0 3 296.331 -2.377 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccnc(C2CC2)n1 ZINC001445258334 891623843 /nfs/dbraw/zinc/62/38/43/891623843.db2.gz QYURCMLLYSDTMD-SECBINFHSA-N 0 3 293.327 -1.480 20 0 CAADHN CCn1nc(C)cc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001445247956 891623973 /nfs/dbraw/zinc/62/39/73/891623973.db2.gz QAEOOEFUQPQSRO-JTQLQIEISA-N 0 3 297.359 -1.362 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ncccc1OC ZINC001445254118 891624727 /nfs/dbraw/zinc/62/47/27/891624727.db2.gz IRCHQWFGARNMRY-SECBINFHSA-N 0 3 296.327 -1.484 20 0 CAADHN CC(C)(C)NC(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001445262353 891624777 /nfs/dbraw/zinc/62/47/77/891624777.db2.gz XQYDIMDJXWALLT-QMMMGPOBSA-N 0 3 299.331 -1.335 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnn(C)n1 ZINC001445258626 891624799 /nfs/dbraw/zinc/62/47/99/891624799.db2.gz RVDKDJNKWHKVHX-VIFPVBQESA-N 0 3 298.347 -2.026 20 0 CAADHN CCC(C)(C)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001445244915 891624825 /nfs/dbraw/zinc/62/48/25/891624825.db2.gz ZCCXZBUSOKNATC-QMMMGPOBSA-N 0 3 288.348 -1.316 20 0 CAADHN CCC(C)(C)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001445244914 891624886 /nfs/dbraw/zinc/62/48/86/891624886.db2.gz ZCCXZBUSOKNATC-MRVPVSSYSA-N 0 3 288.348 -1.316 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1)N1CCC1 ZINC001445263096 891624975 /nfs/dbraw/zinc/62/49/75/891624975.db2.gz QPCBNDKOIMVHEM-ZJUUUORDSA-N 0 3 298.343 -2.436 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001445274182 891625061 /nfs/dbraw/zinc/62/50/61/891625061.db2.gz AWWFRIHWQWYKCZ-BDAKNGLRSA-N 0 3 281.316 -1.713 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001445274192 891625203 /nfs/dbraw/zinc/62/52/03/891625203.db2.gz AWWFRIHWQWYKCZ-IUCAKERBSA-N 0 3 281.316 -1.713 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)Cc1c[nH]cn1)NC1CC1 ZINC001445255318 891625428 /nfs/dbraw/zinc/62/54/28/891625428.db2.gz OBIFDKAXTRNIGZ-LLVKDONJSA-N 0 3 295.343 -1.703 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001445244415 891625500 /nfs/dbraw/zinc/62/55/00/891625500.db2.gz BZPGTZHYBGEAPY-ZETCQYMHSA-N 0 3 271.277 -2.162 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ncccn1 ZINC001445248083 891625684 /nfs/dbraw/zinc/62/56/84/891625684.db2.gz FTLZELXSVSHMFN-VIFPVBQESA-N 0 3 281.316 -1.707 20 0 CAADHN CCn1cc(C(=O)NC[C@H](O)CNCC(N)=O)c(C)n1 ZINC001445263761 891625899 /nfs/dbraw/zinc/62/58/99/891625899.db2.gz XHLPPXWBGNNBDK-SECBINFHSA-N 0 3 283.332 -1.623 20 0 CAADHN C[C@@H](CC(=O)NC[C@H](O)CNCC(N)=O)n1ccnc1 ZINC001445248043 891626042 /nfs/dbraw/zinc/62/60/42/891626042.db2.gz HNLIAHPCNQHFNQ-VHSXEESVSA-N 0 3 283.332 -1.614 20 0 CAADHN CCn1cc(CNC[C@@H](O)CNC(=O)c2ncn[nH]2)nn1 ZINC001445255963 891626093 /nfs/dbraw/zinc/62/60/93/891626093.db2.gz PJFKYDLNLMMGEF-SECBINFHSA-N 0 3 294.319 -1.703 20 0 CAADHN CCn1cc(CNC[C@@H](O)CNC(=O)c2nc[nH]n2)nn1 ZINC001445255963 891626099 /nfs/dbraw/zinc/62/60/99/891626099.db2.gz PJFKYDLNLMMGEF-SECBINFHSA-N 0 3 294.319 -1.703 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1scnc1Cl ZINC001445271848 891626127 /nfs/dbraw/zinc/62/61/27/891626127.db2.gz IKHSLHRHHHQFJH-RXMQYKEDSA-N 0 3 292.748 -1.038 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnoc1C1CC1 ZINC001445244017 891626139 /nfs/dbraw/zinc/62/61/39/891626139.db2.gz FNCBZOBCQNJOIH-QMMMGPOBSA-N 0 3 282.300 -1.282 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1nccs1 ZINC001445254555 891626302 /nfs/dbraw/zinc/62/63/02/891626302.db2.gz OAYQSEDSYPEDJE-MRVPVSSYSA-N 0 3 286.357 -1.088 20 0 CAADHN CN(C)c1cccc(C(=O)NC[C@H](O)CNCC(N)=O)c1 ZINC001445261054 891626523 /nfs/dbraw/zinc/62/65/23/891626523.db2.gz YDWQXWCVEKONOK-GFCCVEGCSA-N 0 3 294.355 -1.082 20 0 CAADHN Cn1ccc(C(=O)NC[C@H](O)CNCC(=O)NC2CC2)n1 ZINC001445272132 891626636 /nfs/dbraw/zinc/62/66/36/891626636.db2.gz ONKUWNMMICGBRB-SNVBAGLBSA-N 0 3 295.343 -1.621 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)Cn1cncn1)NC1CC1 ZINC001445269559 891626657 /nfs/dbraw/zinc/62/66/57/891626657.db2.gz KSKRJSIZBOLZMC-SNVBAGLBSA-N 0 3 296.331 -2.377 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)Cn1ncnn1 ZINC001445316726 891627872 /nfs/dbraw/zinc/62/78/72/891627872.db2.gz SHGKKAFDHKWLDY-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)c1cnn(C)c1 ZINC001445315452 891627924 /nfs/dbraw/zinc/62/79/24/891627924.db2.gz WKWHXDIOKMVUJM-MWLCHTKSSA-N 0 3 297.359 -1.664 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H](C)NC(C)=O ZINC001445298080 891627967 /nfs/dbraw/zinc/62/79/67/891627967.db2.gz HPXZVKRUBJNGLK-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)Cc1nnc(C)[nH]1 ZINC001445315498 891628025 /nfs/dbraw/zinc/62/80/25/891628025.db2.gz REWNMMDEEYQVSA-JTQLQIEISA-N 0 3 294.359 -1.018 20 0 CAADHN COc1c(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)cnn1C ZINC001445286987 891628079 /nfs/dbraw/zinc/62/80/79/891628079.db2.gz ZWFXWXIYFPUIKX-YUMQZZPRSA-N 0 3 299.331 -2.017 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)CCNC(N)=O ZINC001445333028 891628190 /nfs/dbraw/zinc/62/81/90/891628190.db2.gz QZBJIZPYKAFYKW-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CN(C)CCO1 ZINC001445305895 891628274 /nfs/dbraw/zinc/62/82/74/891628274.db2.gz LAQDDTBMEXIFON-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN(CCN[C@H]1CCCNC1=O)C(=O)CCNC(N)=O ZINC001445330267 891628335 /nfs/dbraw/zinc/62/83/35/891628335.db2.gz LUFJIYMXPOHAQS-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN CCc1ncncc1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001445277941 891628482 /nfs/dbraw/zinc/62/84/82/891628482.db2.gz PZEVTYFCHYYXHE-IUCAKERBSA-N 0 3 295.343 -1.407 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CNC(C)=O ZINC001445301331 891628810 /nfs/dbraw/zinc/62/88/10/891628810.db2.gz KQVZRMLRNIGDPJ-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)c1cnn(C)c1N ZINC001445307124 891628860 /nfs/dbraw/zinc/62/88/60/891628860.db2.gz IVYXPFXOOBGWKI-JTQLQIEISA-N 0 3 294.359 -1.058 20 0 CAADHN NC(=O)NCCC(=O)NC[C@@H](O)CNCc1ccccn1 ZINC001445278280 891628882 /nfs/dbraw/zinc/62/88/82/891628882.db2.gz ZINIFPGISFZZHH-NSHDSACASA-N 0 3 295.343 -1.293 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)c1cnn(C)c1N ZINC001445307133 891628980 /nfs/dbraw/zinc/62/89/80/891628980.db2.gz IVYXPFXOOBGWKI-SNVBAGLBSA-N 0 3 294.359 -1.058 20 0 CAADHN COc1c(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)cnn1C ZINC001445286985 891629122 /nfs/dbraw/zinc/62/91/22/891629122.db2.gz ZWFXWXIYFPUIKX-JGVFFNPUSA-N 0 3 299.331 -2.017 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001445276291 891629132 /nfs/dbraw/zinc/62/91/32/891629132.db2.gz FCEWXXCTIWIMNG-RKDXNWHRSA-N 0 3 298.347 -1.839 20 0 CAADHN COc1c(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)cnn1C ZINC001445286981 891629153 /nfs/dbraw/zinc/62/91/53/891629153.db2.gz ZWFXWXIYFPUIKX-HTQZYQBOSA-N 0 3 299.331 -2.017 20 0 CAADHN CCc1noc(C)c1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001445276980 891629163 /nfs/dbraw/zinc/62/91/63/891629163.db2.gz VVGZCVFUDNVJFP-VIFPVBQESA-N 0 3 298.343 -1.028 20 0 CAADHN CCN(CCN[C@H]1CCN(C)C1=O)C(=O)CCNC(N)=O ZINC001445333024 891629181 /nfs/dbraw/zinc/62/91/81/891629181.db2.gz QZBJIZPYKAFYKW-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001445331675 891629357 /nfs/dbraw/zinc/62/93/57/891629357.db2.gz UGCDZYXWHXWNNV-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)CNC(=O)NC ZINC001445303348 891629386 /nfs/dbraw/zinc/62/93/86/891629386.db2.gz OLTDHQQBRUWHHH-SECBINFHSA-N 0 3 287.364 -1.512 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1COCCO1 ZINC001445299286 891629679 /nfs/dbraw/zinc/62/96/79/891629679.db2.gz CYZUILBFQKESAR-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001445314299 891629728 /nfs/dbraw/zinc/62/97/28/891629728.db2.gz VLLYOGUEFFBHGT-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)C1CN(C(C)=O)C1 ZINC001445364889 891631360 /nfs/dbraw/zinc/63/13/60/891631360.db2.gz XDXWUAUMAXEKRT-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001445380546 891631995 /nfs/dbraw/zinc/63/19/95/891631995.db2.gz HKDYLPFNSKGYRN-NXEZZACHSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1COC(=O)N1 ZINC001445368194 891631802 /nfs/dbraw/zinc/63/18/02/891631802.db2.gz VYBUAGHQYJXMFO-PSASIEDQSA-N 0 3 298.343 -1.285 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)c1cn(C)c(=O)n1C ZINC001445335786 891632053 /nfs/dbraw/zinc/63/20/53/891632053.db2.gz UZPTZWCMASLYRC-SECBINFHSA-N 0 3 297.359 -1.351 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1cc2n(n1)CCO2 ZINC001445389345 891632115 /nfs/dbraw/zinc/63/21/15/891632115.db2.gz LPXOLGSTTJJLML-RKDXNWHRSA-N 0 3 293.327 -1.128 20 0 CAADHN CCNC(=O)CCC(=O)N[C@H](C)CN[C@@H](C)C(N)=O ZINC001445357304 891632691 /nfs/dbraw/zinc/63/26/91/891632691.db2.gz RGJYHWLMRIJBIU-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)C[C@@H](C)NC(N)=O ZINC001445358596 891632790 /nfs/dbraw/zinc/63/27/90/891632790.db2.gz CARXIZYSEYLBNW-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN1CCCNC1=O ZINC001445400177 891632910 /nfs/dbraw/zinc/63/29/10/891632910.db2.gz FPFRJSDZJLOMPN-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001445380549 891633790 /nfs/dbraw/zinc/63/37/90/891633790.db2.gz HKDYLPFNSKGYRN-ZJUUUORDSA-N 0 3 284.360 -1.353 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)C[C@H](C)NC(N)=O ZINC001445359262 891633923 /nfs/dbraw/zinc/63/39/23/891633923.db2.gz GDUWZUKLCIJMIF-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cn2c(n1)COCC2 ZINC001445399882 891633961 /nfs/dbraw/zinc/63/39/61/891633961.db2.gz XQQVZUPDQZNCFG-SECBINFHSA-N 0 3 295.343 -1.133 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001445356516 891633990 /nfs/dbraw/zinc/63/39/90/891633990.db2.gz OGXKHNHKGSPJTE-IWSPIJDZSA-N 0 3 270.333 -1.377 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CN(C)C(C)=O ZINC001445345168 891634069 /nfs/dbraw/zinc/63/40/69/891634069.db2.gz SSZWFIMAOIFWGZ-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001445370870 891634173 /nfs/dbraw/zinc/63/41/73/891634173.db2.gz XTPSFJSUEVOXLZ-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001445405319 891634195 /nfs/dbraw/zinc/63/41/95/891634195.db2.gz AVZHOXRXBJEJOU-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)[C@H]1CCC(=O)N1 ZINC001445354123 891634288 /nfs/dbraw/zinc/63/42/88/891634288.db2.gz JVAANSSHKCZPSX-KXUCPTDWSA-N 0 3 284.360 -1.164 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CC1OCCCO1 ZINC001445368743 891634471 /nfs/dbraw/zinc/63/44/71/891634471.db2.gz ZMVIGPMXVDXSTK-SECBINFHSA-N 0 3 273.333 -1.020 20 0 CAADHN CCN(CC)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001445434047 891636127 /nfs/dbraw/zinc/63/61/27/891636127.db2.gz DLULDXNCABYKEB-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)Cc1cnoc1 ZINC001445427385 891636340 /nfs/dbraw/zinc/63/63/40/891636340.db2.gz CJZXFWZQNAZCSY-SSDOTTSWSA-N 0 3 283.288 -1.494 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@H](NC(=O)COC)C1 ZINC001445482163 891636385 /nfs/dbraw/zinc/63/63/85/891636385.db2.gz QVZGMFPKHVODAQ-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN CC(=O)N[C@@H](C(=O)N[C@H](C)CNCC(N)=O)C(C)C ZINC001445483979 891636409 /nfs/dbraw/zinc/63/64/09/891636409.db2.gz RPXCUZVTATYIBB-LDYMZIIASA-N 0 3 272.349 -1.273 20 0 CAADHN C[C@H](CNCC(=O)NC(C)(C)C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001445438983 891636627 /nfs/dbraw/zinc/63/66/27/891636627.db2.gz TXAJOFRPGMDFOM-BDAKNGLRSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)[C@@H]1CCC(=O)N1C ZINC001445425657 891636747 /nfs/dbraw/zinc/63/67/47/891636747.db2.gz ZGUWHDRNJOTYDL-UTLUCORTSA-N 0 3 282.344 -1.410 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1ccncn1 ZINC001445458164 891637020 /nfs/dbraw/zinc/63/70/20/891637020.db2.gz XNBSJAKXZAKAKJ-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN CC(C)CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001445435468 891637211 /nfs/dbraw/zinc/63/72/11/891637211.db2.gz HCZZTSNSPWRYFI-ZJUUUORDSA-N 0 3 299.375 -1.466 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)N(C)C)NC(=O)c1cnn(C)n1 ZINC001445444447 891637624 /nfs/dbraw/zinc/63/76/24/891637624.db2.gz DNPWEVNRQWMNDC-RKDXNWHRSA-N 0 3 282.348 -1.000 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)CCn1cnnn1 ZINC001445458775 891637721 /nfs/dbraw/zinc/63/77/21/891637721.db2.gz SSBNAGLPGCYQJS-SECBINFHSA-N 0 3 295.347 -1.564 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)Cc1cncn1C ZINC001445472374 891638023 /nfs/dbraw/zinc/63/80/23/891638023.db2.gz HWESWEYYRDZDKS-MRVPVSSYSA-N 0 3 296.331 -1.748 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccc(C(N)=O)cn1 ZINC001445498774 891638575 /nfs/dbraw/zinc/63/85/75/891638575.db2.gz LWUNYIPLTIIWKM-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001445499645 891639102 /nfs/dbraw/zinc/63/91/02/891639102.db2.gz GMWASCNQVBIWRG-SFYZADRCSA-N 0 3 292.361 -2.482 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)Cc1cnn(C)c1 ZINC001445526495 891639139 /nfs/dbraw/zinc/63/91/39/891639139.db2.gz GXFKTXPABLAUOP-GXSJLCMTSA-N 0 3 279.344 -1.055 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001445493372 891639812 /nfs/dbraw/zinc/63/98/12/891639812.db2.gz CCKWUTNYPJJAAF-SFYZADRCSA-N 0 3 277.346 -1.857 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CS(C)(=O)=O)C(N)=O ZINC001445529336 891639876 /nfs/dbraw/zinc/63/98/76/891639876.db2.gz MJQWCZNPNGWBIS-YUMQZZPRSA-N 0 3 279.362 -1.611 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)CN[C@@H]1CCN(C)C1=O ZINC001445513012 891639889 /nfs/dbraw/zinc/63/98/89/891639889.db2.gz GIIXZMUETCBKSS-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@H](CNCC(=O)N1CCCC1)NC(=O)CCNC(N)=O ZINC001445493608 891640023 /nfs/dbraw/zinc/64/00/23/891640023.db2.gz FQKRLBQSQJZFFK-SNVBAGLBSA-N 0 3 299.375 -1.239 20 0 CAADHN CO[C@@H](C)C(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001445519624 891640062 /nfs/dbraw/zinc/64/00/62/891640062.db2.gz UJCULGWSPVOIQP-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCCO1 ZINC001445516097 891640116 /nfs/dbraw/zinc/64/01/16/891640116.db2.gz ZTLQMSVFCTZQPM-IUCAKERBSA-N 0 3 283.332 -1.118 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1ccn(C)n1 ZINC001445495609 891640199 /nfs/dbraw/zinc/64/01/99/891640199.db2.gz DDIFAVUTIHXHMG-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN COCC(=O)N[C@@H](C)CNCC(=O)N1CCO[C@H](C)C1 ZINC001445497812 891640210 /nfs/dbraw/zinc/64/02/10/891640210.db2.gz MPXHDFLEHDZAHU-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)CNC(=O)C1CC1 ZINC001445519596 891640256 /nfs/dbraw/zinc/64/02/56/891640256.db2.gz ZFMUKAHLKINWCU-WPRPVWTQSA-N 0 3 282.344 -1.505 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CNCC(=O)NCC1CC1 ZINC001445514331 891640443 /nfs/dbraw/zinc/64/04/43/891640443.db2.gz XGJSUNQSBVXHQR-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001445496512 891640465 /nfs/dbraw/zinc/64/04/65/891640465.db2.gz HPSHKLYAFPYEDX-UTLUCORTSA-N 0 3 299.375 -1.112 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)CN1CCCC1=O ZINC001445509907 891640591 /nfs/dbraw/zinc/64/05/91/891640591.db2.gz GXRAXZAIRUNOKH-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@@H](C[NH2+]CC(=O)N(C)C)NC(=O)c1cnc[n-]c1=O ZINC001445569495 891641822 /nfs/dbraw/zinc/64/18/22/891641822.db2.gz FHQQTEIRPPOPRC-QMMMGPOBSA-N 0 3 281.316 -1.022 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)c1nccnc1N ZINC001445532316 891641893 /nfs/dbraw/zinc/64/18/93/891641893.db2.gz JBKUKNWSDWZTOU-IUCAKERBSA-N 0 3 292.343 -1.003 20 0 CAADHN COc1coc(C(=O)N[C@@H](C)CNCC(N)=O)cc1=O ZINC001445579414 891641926 /nfs/dbraw/zinc/64/19/26/891641926.db2.gz XPSPALLKCJPBRE-ZETCQYMHSA-N 0 3 283.284 -1.158 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001445570980 891641977 /nfs/dbraw/zinc/64/19/77/891641977.db2.gz KKJXUNWLGPATQX-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CN1CCOCC1 ZINC001445554553 891642133 /nfs/dbraw/zinc/64/21/33/891642133.db2.gz VIGIGUAPALAWCT-WDEREUQCSA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CN(C)C(=O)C1CC1 ZINC001445550975 891642305 /nfs/dbraw/zinc/64/23/05/891642305.db2.gz ARPKEGXOGIVLEG-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CN1CCN(C)C(=O)C1)C(N)=O ZINC001445570478 891642461 /nfs/dbraw/zinc/64/24/61/891642461.db2.gz KUCVWVSZUOWKER-VHSXEESVSA-N 0 3 299.375 -2.272 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)CN[C@H]2CCN(C)C2=O)C1 ZINC001445543363 891642898 /nfs/dbraw/zinc/64/28/98/891642898.db2.gz HEENOLOZHBFAPL-CABZTGNLSA-N 0 3 296.371 -1.210 20 0 CAADHN CC(C)[C@@H](O)C(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001445550000 891643087 /nfs/dbraw/zinc/64/30/87/891643087.db2.gz KJEHRTUAUWFMAD-XHNCKOQMSA-N 0 3 288.348 -1.319 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1COC(=O)C1 ZINC001445553042 891643137 /nfs/dbraw/zinc/64/31/37/891643137.db2.gz VBXLOOQXTOOWKQ-IUCAKERBSA-N 0 3 271.317 -1.220 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCn1ccnn1 ZINC001445542684 891643178 /nfs/dbraw/zinc/64/31/78/891643178.db2.gz DPJHJFFLMJDKIE-VHSXEESVSA-N 0 3 282.348 -1.103 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)c1cnn(C)c1N)C(N)=O ZINC001445538244 891643219 /nfs/dbraw/zinc/64/32/19/891643219.db2.gz QQEBEIIXZOBVPV-IONNQARKSA-N 0 3 282.348 -1.026 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC ZINC001445558551 891643390 /nfs/dbraw/zinc/64/33/90/891643390.db2.gz GAAFEPCKEKTTJM-JGVFFNPUSA-N 0 3 273.337 -1.856 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)c1ncn(C)n1 ZINC001445548610 891644408 /nfs/dbraw/zinc/64/44/08/891644408.db2.gz FHBFSFRKVRBEOM-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CNC(=O)N1CCCC1 ZINC001445545040 891644450 /nfs/dbraw/zinc/64/44/50/891644450.db2.gz GNJNACLLZALURJ-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)C[C@H]1CCC(=O)N1 ZINC001445615040 891646386 /nfs/dbraw/zinc/64/63/86/891646386.db2.gz JZCLQPXZDZVFEQ-VHSXEESVSA-N 0 3 284.360 -1.115 20 0 CAADHN CCn1nc(C(=O)N[C@@H](C)CNCC(N)=O)ccc1=O ZINC001445625098 891647662 /nfs/dbraw/zinc/64/76/62/891647662.db2.gz GKDOKONTQVFIEZ-QMMMGPOBSA-N 0 3 281.316 -1.544 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1cc(C(N)=O)ccn1 ZINC001445657039 891649968 /nfs/dbraw/zinc/64/99/68/891649968.db2.gz MNIJAXUHOKCOKV-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@@H](C)CNCC(=O)N(C)C ZINC001445653940 891651050 /nfs/dbraw/zinc/65/10/50/891651050.db2.gz GUABTPVTIUEBQZ-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1nnc(N)n1 ZINC001445780703 891652388 /nfs/dbraw/zinc/65/23/88/891652388.db2.gz GGHROSRXDDLNTN-IONNQARKSA-N 0 3 265.321 -1.146 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)Cn1ncnn1 ZINC001445760412 891652652 /nfs/dbraw/zinc/65/26/52/891652652.db2.gz WQOLMPKZUKDYKQ-JTQLQIEISA-N 0 3 293.335 -1.599 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1nnc(N)n1 ZINC001445780690 891653154 /nfs/dbraw/zinc/65/31/54/891653154.db2.gz GGHROSRXDDLNTN-APPZFPTMSA-N 0 3 265.321 -1.146 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](CN[C@H](C)C(N)=O)C1CC1 ZINC001445940417 891655731 /nfs/dbraw/zinc/65/57/31/891655731.db2.gz RUKKMEUGXIAQNL-KCJUWKMLSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H](NC[C@H](NC(=O)Cn1cnnn1)C1CC1)C(N)=O ZINC001445934251 891655863 /nfs/dbraw/zinc/65/58/63/891655863.db2.gz MVJBZHJJSMAYSH-CBAPKCEASA-N 0 3 281.320 -1.969 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001445873678 891655956 /nfs/dbraw/zinc/65/59/56/891655956.db2.gz TWYRLUQMIKNJNC-MRVPVSSYSA-N 0 3 284.316 -1.472 20 0 CAADHN O=C(Cn1cnnn1)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001445940188 891656031 /nfs/dbraw/zinc/65/60/31/891656031.db2.gz UMGBUTSGFQEPCQ-NXEZZACHSA-N 0 3 293.331 -1.954 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001445927993 891656080 /nfs/dbraw/zinc/65/60/80/891656080.db2.gz GIWISTFLMZCGQY-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)Cn1cnnn1)C1CC1)C(N)=O ZINC001445934254 891656208 /nfs/dbraw/zinc/65/62/08/891656208.db2.gz MVJBZHJJSMAYSH-IONNQARKSA-N 0 3 281.320 -1.969 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001445939879 891656242 /nfs/dbraw/zinc/65/62/42/891656242.db2.gz YZXOPBFPDRMKRI-NXEZZACHSA-N 0 3 298.343 -1.285 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CC1 ZINC001445927962 891656333 /nfs/dbraw/zinc/65/63/33/891656333.db2.gz GIWISTFLMZCGQY-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001445873688 891656473 /nfs/dbraw/zinc/65/64/73/891656473.db2.gz TWYRLUQMIKNJNC-QMMMGPOBSA-N 0 3 284.316 -1.472 20 0 CAADHN O=C(Cn1cnnn1)N[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001445940235 891656480 /nfs/dbraw/zinc/65/64/80/891656480.db2.gz UMGBUTSGFQEPCQ-VHSXEESVSA-N 0 3 293.331 -1.954 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001445940237 891656543 /nfs/dbraw/zinc/65/65/43/891656543.db2.gz UMGBUTSGFQEPCQ-ZJUUUORDSA-N 0 3 293.331 -1.954 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001445932419 891656551 /nfs/dbraw/zinc/65/65/51/891656551.db2.gz IGERIQKFSXOAAN-BDAKNGLRSA-N 0 3 284.316 -1.675 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001445940415 891656587 /nfs/dbraw/zinc/65/65/87/891656587.db2.gz RUKKMEUGXIAQNL-GZMMTYOYSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001445940421 891656815 /nfs/dbraw/zinc/65/68/15/891656815.db2.gz RUKKMEUGXIAQNL-KWQFWETISA-N 0 3 284.360 -1.177 20 0 CAADHN CS(=O)(=O)CC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001445922849 891656875 /nfs/dbraw/zinc/65/68/75/891656875.db2.gz FYTRPRKOWZRKQW-MRVPVSSYSA-N 0 3 277.346 -1.999 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)C1CS(=O)(=O)C1)C1CC1 ZINC001445945941 891658201 /nfs/dbraw/zinc/65/82/01/891658201.db2.gz BLTRJSJVGRYVAQ-VIFPVBQESA-N 0 3 289.357 -1.999 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@H]1COCCO1)C1CC1 ZINC001445944407 891658238 /nfs/dbraw/zinc/65/82/38/891658238.db2.gz ZTSWTESACANORG-NXEZZACHSA-N 0 3 271.317 -1.629 20 0 CAADHN CCn1cc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)nn1 ZINC001445992572 891658270 /nfs/dbraw/zinc/65/82/70/891658270.db2.gz SRGHAQXKTXXWGA-VIFPVBQESA-N 0 3 280.332 -1.119 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001445961769 891658292 /nfs/dbraw/zinc/65/82/92/891658292.db2.gz AGTZZJYFVQEHJQ-MRVPVSSYSA-N 0 3 279.300 -1.647 20 0 CAADHN CCn1cc(C(=O)N[C@H](CNCC(N)=O)C2CC2)nn1 ZINC001445992566 891658382 /nfs/dbraw/zinc/65/83/82/891658382.db2.gz SRGHAQXKTXXWGA-SECBINFHSA-N 0 3 280.332 -1.119 20 0 CAADHN CCN1CCO[C@@H](C(=O)N[C@@H](CNCC(N)=O)C2CC2)C1 ZINC001445992277 891659561 /nfs/dbraw/zinc/65/95/61/891659561.db2.gz ZICZTLNVFGIEIQ-NWDGAFQWSA-N 0 3 298.387 -1.323 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@]1(C)CCC(=O)N1)C1CC1 ZINC001445980700 891659783 /nfs/dbraw/zinc/65/97/83/891659783.db2.gz NCQPDERTIJNLCB-YGRLFVJLSA-N 0 3 296.371 -1.115 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H]1CCN1C[C@H]1CCOC1 ZINC001446032043 891660000 /nfs/dbraw/zinc/66/00/00/891660000.db2.gz SUVDFQMERLXTAU-MNOVXSKESA-N 0 3 280.332 -1.100 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001445944427 891660010 /nfs/dbraw/zinc/66/00/10/891660010.db2.gz ZTSWTESACANORG-ZJUUUORDSA-N 0 3 271.317 -1.629 20 0 CAADHN C[C@@H](NC[C@H](NC(=O)CCNC(N)=O)C1CC1)C(N)=O ZINC001445997734 891660090 /nfs/dbraw/zinc/66/00/90/891660090.db2.gz FVMBORZVJHRFPA-APPZFPTMSA-N 0 3 285.348 -1.597 20 0 CAADHN COC[C@@H](O)CN1CC[C@H]1CNC(=O)CCc1nnc[nH]1 ZINC001446043475 891662145 /nfs/dbraw/zinc/66/21/45/891662145.db2.gz RXIHZZBQMMNANB-QWRGUYRKSA-N 0 3 297.359 -1.065 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@H](C)NC(N)=O)CC1)C(N)=O ZINC001446160525 891666554 /nfs/dbraw/zinc/66/65/54/891666554.db2.gz JUXTVUSBBWQVDM-YUMQZZPRSA-N 0 3 285.348 -1.455 20 0 CAADHN CO[C@H](C)C(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001446415048 891674455 /nfs/dbraw/zinc/67/44/55/891674455.db2.gz BIDZGJUNZWCFAA-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CO[C@@H](C)C(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001446415052 891674923 /nfs/dbraw/zinc/67/49/23/891674923.db2.gz BIDZGJUNZWCFAA-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001446424324 891675007 /nfs/dbraw/zinc/67/50/07/891675007.db2.gz DKUPQZHNXMSIKV-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)c1cnnn1C)C(N)=O ZINC001446424407 891675727 /nfs/dbraw/zinc/67/57/27/891675727.db2.gz FIHRKBXYMILZCZ-BDAKNGLRSA-N 0 3 280.332 -1.117 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CN(C)C(C)=O ZINC001446426276 891676014 /nfs/dbraw/zinc/67/60/14/891676014.db2.gz ZKDRYOMOMLEDRG-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CCC(=O)NC1 ZINC001446435070 891676361 /nfs/dbraw/zinc/67/63/61/891676361.db2.gz OJFMDOXLPKQYDY-MNOVXSKESA-N 0 3 296.371 -1.031 20 0 CAADHN CN(C(=O)CN1CCCC1)C1CN(CC(=O)NC(N)=O)C1 ZINC001446402073 891676418 /nfs/dbraw/zinc/67/64/18/891676418.db2.gz YIGBIORLTZMJDZ-UHFFFAOYSA-N 0 3 297.359 -1.580 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001446453114 891677771 /nfs/dbraw/zinc/67/77/71/891677771.db2.gz GKDBJESDYGVTJY-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](NC[C@@H]1CCCN1C(=O)CCn1cnnn1)C(N)=O ZINC001446436928 891677861 /nfs/dbraw/zinc/67/78/61/891677861.db2.gz CSPAIBKWHRJIEV-ZJUUUORDSA-N 0 3 295.347 -1.482 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)Cn1cncn1 ZINC001446457005 891677909 /nfs/dbraw/zinc/67/79/09/891677909.db2.gz SXYWWXZDSNXZEJ-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001446440726 891679519 /nfs/dbraw/zinc/67/95/19/891679519.db2.gz KXFHFUGHXSFCFB-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CC1(NC(=O)Cc2nnc[nH]2)CCN(CC(N)=O)CC1 ZINC001446479667 891679705 /nfs/dbraw/zinc/67/97/05/891679705.db2.gz IWPZGBJSQRVMEW-UHFFFAOYSA-N 0 3 280.332 -1.197 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@]1(C)CCN(C[C@@H](C)O)C1 ZINC001446554040 891681395 /nfs/dbraw/zinc/68/13/95/891681395.db2.gz DGFRJCRKXVNVQS-KOLCDFICSA-N 0 3 293.389 -1.503 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001446750664 891684971 /nfs/dbraw/zinc/68/49/71/891684971.db2.gz ALNWXGAREMLHDC-ZDUSSCGKSA-N 0 3 282.344 -1.113 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001446762513 891685109 /nfs/dbraw/zinc/68/51/09/891685109.db2.gz DMDAWIJMYCPZKO-CYBMUJFWSA-N 0 3 282.344 -1.113 20 0 CAADHN COC1CC(C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001446764394 891685584 /nfs/dbraw/zinc/68/55/84/891685584.db2.gz UBKUUCAJWFCPCT-XIVSLSHWSA-N 0 3 272.345 -1.043 20 0 CAADHN COCC[N@@H+]1CC[C@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001446754429 891685608 /nfs/dbraw/zinc/68/56/08/891685608.db2.gz JEYIVSAMQODOTL-ZDUSSCGKSA-N 0 3 296.327 -1.005 20 0 CAADHN COCC[N@H+]1CC[C@](O)(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001446754429 891685612 /nfs/dbraw/zinc/68/56/12/891685612.db2.gz JEYIVSAMQODOTL-ZDUSSCGKSA-N 0 3 296.327 -1.005 20 0 CAADHN O=C(CNC(=O)C1CC1)NC[C@]1(O)CCN(CCO)C1 ZINC001446737812 891685874 /nfs/dbraw/zinc/68/58/74/891685874.db2.gz MZBPUMSUCMRASD-CYBMUJFWSA-N 0 3 285.344 -1.942 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1cc[nH]c(=O)c1 ZINC001446752996 891685908 /nfs/dbraw/zinc/68/59/08/891685908.db2.gz BWQPWAAKQFHJMD-ZDUSSCGKSA-N 0 3 281.312 -1.054 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NC[C@]1(O)CCN(CCO)C1 ZINC001446764253 891685971 /nfs/dbraw/zinc/68/59/71/891685971.db2.gz SWYIZJNZCADALD-GXFFZTMASA-N 0 3 285.344 -1.942 20 0 CAADHN O=C(C[C@@H]1CCOC1)NC[C@@]1(O)CCN(CCO)C1 ZINC001446746236 891686132 /nfs/dbraw/zinc/68/61/32/891686132.db2.gz OBKYLFILJQXTLY-AAEUAGOBSA-N 0 3 272.345 -1.042 20 0 CAADHN COC1CC(C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001446764391 891686568 /nfs/dbraw/zinc/68/65/68/891686568.db2.gz UBKUUCAJWFCPCT-GCZXYKMCSA-N 0 3 272.345 -1.043 20 0 CAADHN O=C(CCn1cccn1)NC[C@@]1(O)CCN(CCO)C1 ZINC001446746481 891686728 /nfs/dbraw/zinc/68/67/28/891686728.db2.gz ZETQEMITLMUPAF-ZDUSSCGKSA-N 0 3 282.344 -1.182 20 0 CAADHN COCC1(C(=O)NC[C@@]2(O)CCN(CCO)C2)CC1 ZINC001446760205 891686980 /nfs/dbraw/zinc/68/69/80/891686980.db2.gz ROZKJENFUJJUKM-ZDUSSCGKSA-N 0 3 272.345 -1.042 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@]2(O)CCN(CCO)C2)o1 ZINC001446761075 891687143 /nfs/dbraw/zinc/68/71/43/891687143.db2.gz PGYRYVFTNBXHFP-CYBMUJFWSA-N 0 3 297.311 -1.463 20 0 CAADHN COc1cnc(C(=O)NC[C@]2(O)CCN(CCO)C2)nc1 ZINC001446762113 891687405 /nfs/dbraw/zinc/68/74/05/891687405.db2.gz RDOBLIDDMLMMNB-CYBMUJFWSA-N 0 3 296.327 -1.356 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001446749208 891687452 /nfs/dbraw/zinc/68/74/52/891687452.db2.gz BOIJHYSXEIKHLL-CYBMUJFWSA-N 0 3 282.344 -1.113 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001446750641 891687837 /nfs/dbraw/zinc/68/78/37/891687837.db2.gz ALNWXGAREMLHDC-CYBMUJFWSA-N 0 3 282.344 -1.113 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@H](C)CC(N)=O)C1 ZINC001446777354 891689728 /nfs/dbraw/zinc/68/97/28/891689728.db2.gz NXCKAJONGDDMCY-MFKMUULPSA-N 0 3 287.360 -1.303 20 0 CAADHN Cn1c(=O)cccc1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001446797611 891690021 /nfs/dbraw/zinc/69/00/21/891690021.db2.gz XEZSBZAOUJLLQH-CQSZACIVSA-N 0 3 295.339 -1.456 20 0 CAADHN Cn1c(=O)cccc1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001446797607 891691371 /nfs/dbraw/zinc/69/13/71/891691371.db2.gz XEZSBZAOUJLLQH-AWEZNQCLSA-N 0 3 295.339 -1.456 20 0 CAADHN O=C(Cn1ccccc1=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001446799537 891691568 /nfs/dbraw/zinc/69/15/68/891691568.db2.gz CTWROCOFJXCSDR-AWEZNQCLSA-N 0 3 295.339 -1.606 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@@H](C)CC(N)=O)C1 ZINC001446777352 891691643 /nfs/dbraw/zinc/69/16/43/891691643.db2.gz NXCKAJONGDDMCY-GXFFZTMASA-N 0 3 287.360 -1.303 20 0 CAADHN Cc1nonc1C(=O)NC[C@@]1(O)CCN(C[C@H](C)O)C1 ZINC001446816615 891692562 /nfs/dbraw/zinc/69/25/62/891692562.db2.gz MINOCNZFVRKYPB-UFBFGSQYSA-N 0 3 284.316 -1.075 20 0 CAADHN Cc1nonc1C(=O)NC[C@@]1(O)CCN(C[C@@H](C)O)C1 ZINC001446816610 891693514 /nfs/dbraw/zinc/69/35/14/891693514.db2.gz MINOCNZFVRKYPB-PELKAZGASA-N 0 3 284.316 -1.075 20 0 CAADHN Cc1nonc1C(=O)NC[C@]1(O)CCN(C[C@@H](C)O)C1 ZINC001446816611 891693675 /nfs/dbraw/zinc/69/36/75/891693675.db2.gz MINOCNZFVRKYPB-PRHODGIISA-N 0 3 284.316 -1.075 20 0 CAADHN CCCn1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)nn1 ZINC001446815098 891693690 /nfs/dbraw/zinc/69/36/90/891693690.db2.gz XRFVXTKLTIQTFQ-CYBMUJFWSA-N 0 3 297.359 -1.153 20 0 CAADHN Cn1cncc1CC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001446808615 891694539 /nfs/dbraw/zinc/69/45/39/891694539.db2.gz UXXRMKCJFXYCMJ-CYBMUJFWSA-N 0 3 282.344 -1.492 20 0 CAADHN COCCN1CC(O)(CNC(=O)c2[nH]ncc2F)C1 ZINC001446879470 891702362 /nfs/dbraw/zinc/70/23/62/891702362.db2.gz WHKXOUQMNILQCJ-UHFFFAOYSA-N 0 3 272.280 -1.028 20 0 CAADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NOCC(N)=O)cn1 ZINC001446959912 891707808 /nfs/dbraw/zinc/70/78/08/891707808.db2.gz ZWQSDKLCCJZFCL-QWRGUYRKSA-N 0 3 295.343 -1.012 20 0 CAADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NOCC(N)=O)cn1 ZINC001446959890 891707914 /nfs/dbraw/zinc/70/79/14/891707914.db2.gz ZWQSDKLCCJZFCL-GHMZBOCLSA-N 0 3 295.343 -1.012 20 0 CAADHN O=C(c1ccon1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001447052444 891709102 /nfs/dbraw/zinc/70/91/02/891709102.db2.gz KSVWZIMJJOSDDB-SECBINFHSA-N 0 3 282.300 -1.413 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)Cc1ncc[nH]1 ZINC001447050149 891709385 /nfs/dbraw/zinc/70/93/85/891709385.db2.gz FHVSYTWWVHIJAK-SNVBAGLBSA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cnccn1)C(N)=O ZINC001447052316 891709468 /nfs/dbraw/zinc/70/94/68/891709468.db2.gz JZXRJMSXTVYZMQ-VIFPVBQESA-N 0 3 281.316 -1.626 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@]1(C)CCOC1)C(N)=O ZINC001447046858 891709642 /nfs/dbraw/zinc/70/96/42/891709642.db2.gz BKURUPHGXXLMJV-ZWNOBZJWSA-N 0 3 287.360 -1.303 20 0 CAADHN CCn1cnc(C(=O)N(CCO)CCN[C@H](C)C(N)=O)c1 ZINC001447050447 891709945 /nfs/dbraw/zinc/70/99/45/891709945.db2.gz HAMZAXSBCKCTOT-SNVBAGLBSA-N 0 3 297.359 -1.199 20 0 CAADHN COCCN1CCC[C@@](CO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001447045581 891710075 /nfs/dbraw/zinc/71/00/75/891710075.db2.gz VVWXSELOCJWDJQ-CYBMUJFWSA-N 0 3 297.359 -1.063 20 0 CAADHN O=C(Cn1cnnn1)N[C@]1(CO)CCCN(CCCO)C1 ZINC001447009350 891710503 /nfs/dbraw/zinc/71/05/03/891710503.db2.gz MIMSRDDNQRWWFZ-GFCCVEGCSA-N 0 3 298.347 -2.001 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)c1cocn1 ZINC001447051121 891710609 /nfs/dbraw/zinc/71/06/09/891710609.db2.gz JPAPREGSRZPYLR-SECBINFHSA-N 0 3 284.316 -1.167 20 0 CAADHN COCCN1CCC[C@](CO)(NC(=O)Cc2nc[nH]n2)C1 ZINC001447045586 891710712 /nfs/dbraw/zinc/71/07/12/891710712.db2.gz VVWXSELOCJWDJQ-ZDUSSCGKSA-N 0 3 297.359 -1.063 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@]1(C)CCOC1)C(N)=O ZINC001447046855 891710825 /nfs/dbraw/zinc/71/08/25/891710825.db2.gz BKURUPHGXXLMJV-MFKMUULPSA-N 0 3 287.360 -1.303 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1ccn(C)n1 ZINC001447051830 891710903 /nfs/dbraw/zinc/71/09/03/891710903.db2.gz HTPCWRQTTUBUJK-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@H](C)n1cccn1)C(N)=O ZINC001447059569 891712649 /nfs/dbraw/zinc/71/26/49/891712649.db2.gz WKSZWOCZTQLYOL-GHMZBOCLSA-N 0 3 297.359 -1.272 20 0 CAADHN Cc1ncncc1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001447060083 891712869 /nfs/dbraw/zinc/71/28/69/891712869.db2.gz XDQKUKMTUAZCJP-JTQLQIEISA-N 0 3 295.343 -1.317 20 0 CAADHN COCC(=O)N(CCO)CCN[C@H]1CCCNC1=O ZINC001447058365 891713067 /nfs/dbraw/zinc/71/30/67/891713067.db2.gz UTXNBWUNLIHICK-JTQLQIEISA-N 0 3 273.333 -1.678 20 0 CAADHN O=C(c1cocn1)N(CCO)CCN[C@H]1CCNC1=O ZINC001447052544 891713691 /nfs/dbraw/zinc/71/36/91/891713691.db2.gz LDZNJVMFPKCTRC-VIFPVBQESA-N 0 3 282.300 -1.413 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C1=COCCO1)C(N)=O ZINC001447061079 891714173 /nfs/dbraw/zinc/71/41/73/891714173.db2.gz XSLNDKWORWFLCK-VIFPVBQESA-N 0 3 287.316 -1.841 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1cn(C)nn1)C(N)=O ZINC001447054361 891714279 /nfs/dbraw/zinc/71/42/79/891714279.db2.gz JADPGZOHUSKEPD-VIFPVBQESA-N 0 3 298.347 -1.897 20 0 CAADHN Cc1nccc(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)n1 ZINC001447053493 891714365 /nfs/dbraw/zinc/71/43/65/891714365.db2.gz LLDMDRWYBRYTEC-VIFPVBQESA-N 0 3 295.343 -1.317 20 0 CAADHN CNC(=O)NCC(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001447061288 891715143 /nfs/dbraw/zinc/71/51/43/891715143.db2.gz VKVPAEIVPFPQJD-MRVPVSSYSA-N 0 3 289.336 -2.800 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cn(C)c(=O)[nH]1)C(N)=O ZINC001447064186 891715177 /nfs/dbraw/zinc/71/51/77/891715177.db2.gz NCXKZGQAZOZKRK-MRVPVSSYSA-N 0 3 299.331 -1.976 20 0 CAADHN CO[C@H](C)C(=O)N(CCO)CCN[C@H]1CCCNC1=O ZINC001447058974 891715313 /nfs/dbraw/zinc/71/53/13/891715313.db2.gz VMBNGJDNIJWJRB-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2cn[nH]c(=O)c2)CCC1 ZINC001447209484 891716122 /nfs/dbraw/zinc/71/61/22/891716122.db2.gz LGRFNTANRXSUSB-UHFFFAOYSA-N 0 3 279.300 -1.090 20 0 CAADHN Cc1[nH]nc(C(=O)N2CCO[C@H](CNCC(N)=O)C2)c1C ZINC001447258445 891717282 /nfs/dbraw/zinc/71/72/82/891717282.db2.gz FMNGGIOQMQGESN-SNVBAGLBSA-N 0 3 295.343 -1.058 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)CCO1 ZINC001447264834 891718666 /nfs/dbraw/zinc/71/86/66/891718666.db2.gz JGHNOEAUXSZBLL-ZJUUUORDSA-N 0 3 298.343 -2.185 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)Cn2cncn2)CCO1)C(N)=O ZINC001447296545 891720937 /nfs/dbraw/zinc/72/09/37/891720937.db2.gz CCFHJFPWLYCPKZ-UWVGGRQHSA-N 0 3 296.331 -2.031 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2nc(C)c[nH]2)CCO1 ZINC001447289356 891721147 /nfs/dbraw/zinc/72/11/47/891721147.db2.gz MHSIMSJNFQKGDW-SNVBAGLBSA-N 0 3 295.343 -1.105 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ccccn2)CCO1 ZINC001447270735 891721268 /nfs/dbraw/zinc/72/12/68/891721268.db2.gz OQTDSDJSOSRPLE-SNVBAGLBSA-N 0 3 278.312 -1.003 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)Cn2cncn2)CCO1)C(N)=O ZINC001447296546 891721429 /nfs/dbraw/zinc/72/14/29/891721429.db2.gz CCFHJFPWLYCPKZ-VHSXEESVSA-N 0 3 296.331 -2.031 20 0 CAADHN CN(C)C(=O)CNC[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001447294469 891721459 /nfs/dbraw/zinc/72/14/59/891721459.db2.gz AHKCKIYIAUGVDE-SECBINFHSA-N 0 3 297.315 -1.412 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2ccnnc2)CCO1 ZINC001447284338 891721527 /nfs/dbraw/zinc/72/15/27/891721527.db2.gz BTZIXFKGBKPXEU-NSHDSACASA-N 0 3 293.327 -1.347 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001447286121 891721542 /nfs/dbraw/zinc/72/15/42/891721542.db2.gz SIVCZXAPJBLVEP-YUMQZZPRSA-N 0 3 287.320 -2.655 20 0 CAADHN C[N@@H+]1CC[C@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001447364996 891723454 /nfs/dbraw/zinc/72/34/54/891723454.db2.gz XPYSVJWNFPMUQO-NSHDSACASA-N 0 3 253.306 -1.080 20 0 CAADHN C[N@H+]1CC[C@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001447364996 891723461 /nfs/dbraw/zinc/72/34/61/891723461.db2.gz XPYSVJWNFPMUQO-NSHDSACASA-N 0 3 253.306 -1.080 20 0 CAADHN C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001447364987 891724024 /nfs/dbraw/zinc/72/40/24/891724024.db2.gz XPYSVJWNFPMUQO-LLVKDONJSA-N 0 3 253.306 -1.080 20 0 CAADHN C[N@H+]1CC[C@@](O)(CNC(=O)CCc2nnc[n-]2)C1 ZINC001447364987 891724040 /nfs/dbraw/zinc/72/40/40/891724040.db2.gz XPYSVJWNFPMUQO-LLVKDONJSA-N 0 3 253.306 -1.080 20 0 CAADHN Cn1cnc(C(=O)NC2(CNCC(N)=O)CCOCC2)c1 ZINC001447462655 891727529 /nfs/dbraw/zinc/72/75/29/891727529.db2.gz DAJORYSZFHMILL-UHFFFAOYSA-N 0 3 295.343 -1.226 20 0 CAADHN CCC(=O)NC1(CNCC(=O)NC(N)=O)CCOCC1 ZINC001447483212 891728432 /nfs/dbraw/zinc/72/84/32/891728432.db2.gz ZNAIKBHCCLDKPN-UHFFFAOYSA-N 0 3 286.332 -1.154 20 0 CAADHN CNC(=O)CNCC1(NC(=O)COC)CCOCC1 ZINC001447467355 891729073 /nfs/dbraw/zinc/72/90/73/891729073.db2.gz DNGINJYNRGWDFM-UHFFFAOYSA-N 0 3 273.333 -1.366 20 0 CAADHN CCOCC(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001447473290 891729120 /nfs/dbraw/zinc/72/91/20/891729120.db2.gz VPRONQCGBRLRTJ-UHFFFAOYSA-N 0 3 273.333 -1.237 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CN(C(=O)COC)C[C@@H]1C ZINC001447518033 891730774 /nfs/dbraw/zinc/73/07/74/891730774.db2.gz GODUOTQABSADLR-IUCAKERBSA-N 0 3 286.332 -1.475 20 0 CAADHN CCO[C@H](C)C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001447592955 891730928 /nfs/dbraw/zinc/73/09/28/891730928.db2.gz XCCDRBQESQJRKS-SNVBAGLBSA-N 0 3 287.360 -1.160 20 0 CAADHN CCOCC(=O)N1CCC(O)(CN[C@@H](C)C(N)=O)CC1 ZINC001447590728 891731035 /nfs/dbraw/zinc/73/10/35/891731035.db2.gz SMDWLPVUVYSJTB-JTQLQIEISA-N 0 3 287.360 -1.160 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CN2CCOCC2)C[C@@H]1C ZINC001447553250 891731534 /nfs/dbraw/zinc/73/15/34/891731534.db2.gz XKQBEXWNFAUOIW-RYUDHWBXSA-N 0 3 298.387 -1.499 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001447595924 891731829 /nfs/dbraw/zinc/73/18/29/891731829.db2.gz BRIRVSFIGONPMR-UHFFFAOYSA-N 0 3 295.343 -1.619 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001447534230 891731926 /nfs/dbraw/zinc/73/19/26/891731926.db2.gz DFBNWUAXIBXPOW-SCZZXKLOSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H]1CN(C(=O)c2cnco2)C[C@@H]1NCC(=O)NC(N)=O ZINC001447542475 891731956 /nfs/dbraw/zinc/73/19/56/891731956.db2.gz IBILTRJRATZPPK-YUMQZZPRSA-N 0 3 295.299 -1.080 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)Cn2ccnc2)CC1 ZINC001447622518 891734084 /nfs/dbraw/zinc/73/40/84/891734084.db2.gz MKFPDXPNIRVFQV-UHFFFAOYSA-N 0 3 295.343 -1.689 20 0 CAADHN CC(=O)NCC(=O)NC1(CO)CCN(CCCO)CC1 ZINC001447693631 891737185 /nfs/dbraw/zinc/73/71/85/891737185.db2.gz AHWOCYHCEWRBBL-UHFFFAOYSA-N 0 3 287.360 -1.552 20 0 CAADHN Cn1cnc(C(=O)NC2(CO)CCN(CCO)CC2)c1 ZINC001447718519 891738430 /nfs/dbraw/zinc/73/84/30/891738430.db2.gz JIERRSJWCUDPIB-UHFFFAOYSA-N 0 3 282.344 -1.031 20 0 CAADHN O=C(CCn1ccnn1)NC1(CO)CCN(CCO)CC1 ZINC001447718516 891738730 /nfs/dbraw/zinc/73/87/30/891738730.db2.gz ODHWVJNYWQXVRI-UHFFFAOYSA-N 0 3 297.359 -1.396 20 0 CAADHN CC(=O)NCC(=O)N1CCCC[C@H]1CN[C@@H](C)C(N)=O ZINC001447731431 891739078 /nfs/dbraw/zinc/73/90/78/891739078.db2.gz NFLWGIBKQUVRHZ-ONGXEEELSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](NC(=O)c1cn2c(n1)COCC2)[C@H](C)NCC(N)=O ZINC001447877295 891740990 /nfs/dbraw/zinc/74/09/90/891740990.db2.gz GXSFPEYQIZQLOB-DTWKUNHWSA-N 0 3 295.343 -1.005 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001447834755 891741192 /nfs/dbraw/zinc/74/11/92/891741192.db2.gz ADOIRADISLTVKG-NXEZZACHSA-N 0 3 297.363 -1.366 20 0 CAADHN C[C@@H](NC(=O)c1ncccn1)[C@H](C)NCC(=O)NC(N)=O ZINC001447889764 891741210 /nfs/dbraw/zinc/74/12/10/891741210.db2.gz DIJNAYCCCZAQCJ-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001447840585 891741238 /nfs/dbraw/zinc/74/12/38/891741238.db2.gz VUSHDLXFMSLJHZ-JGVFFNPUSA-N 0 3 279.362 -1.740 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cn2c(n1)COCC2 ZINC001447877296 891741270 /nfs/dbraw/zinc/74/12/70/891741270.db2.gz GXSFPEYQIZQLOB-IUCAKERBSA-N 0 3 295.343 -1.005 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001447834763 891741288 /nfs/dbraw/zinc/74/12/88/891741288.db2.gz ADOIRADISLTVKG-ZJUUUORDSA-N 0 3 297.363 -1.366 20 0 CAADHN Cc1nc(CN[C@@H](C)[C@@H](C)NC(=O)c2nnn(C)n2)n[nH]1 ZINC001447886014 891741416 /nfs/dbraw/zinc/74/14/16/891741416.db2.gz ARCHXALRIGZTMP-NKWVEPMBSA-N 0 3 293.335 -1.067 20 0 CAADHN C[C@@H]([NH2+]CC1CC(NC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001447818840 891741636 /nfs/dbraw/zinc/74/16/36/891741636.db2.gz DYSLSSPDQRFVCC-AFPNSQJFSA-N 0 3 280.332 -1.295 20 0 CAADHN Cc1nc(CN[C@H](C)[C@H](C)NC(=O)c2nnn(C)n2)n[nH]1 ZINC001447886019 891741934 /nfs/dbraw/zinc/74/19/34/891741934.db2.gz ARCHXALRIGZTMP-RQJHMYQMSA-N 0 3 293.335 -1.067 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)NCC(N)=O)C1 ZINC001447828635 891742156 /nfs/dbraw/zinc/74/21/56/891742156.db2.gz GTMRXTGYJWRFCP-YUMQZZPRSA-N 0 3 270.333 -1.567 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CN1CCOCC1 ZINC001447856545 891742200 /nfs/dbraw/zinc/74/22/00/891742200.db2.gz QXCQTLPSNCOGSO-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN COCCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC(N)=O ZINC001447831185 891742354 /nfs/dbraw/zinc/74/23/54/891742354.db2.gz NTWBNKDRQFQQDZ-YUMQZZPRSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1ncccn1 ZINC001447889760 891742559 /nfs/dbraw/zinc/74/25/59/891742559.db2.gz DIJNAYCCCZAQCJ-HTQZYQBOSA-N 0 3 294.315 -1.232 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CS(=O)(=O)NC ZINC001447926567 891743603 /nfs/dbraw/zinc/74/36/03/891743603.db2.gz BZWDHTINDBKQOQ-SFYZADRCSA-N 0 3 294.377 -2.236 20 0 CAADHN C[C@@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NCC(N)=O ZINC001447905560 891743648 /nfs/dbraw/zinc/74/36/48/891743648.db2.gz JZUKRCCFHGTNPB-DTWKUNHWSA-N 0 3 282.348 -1.284 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cn(C)ccc1=O ZINC001447896954 891744317 /nfs/dbraw/zinc/74/43/17/891744317.db2.gz RFWUVHMDGBGPGW-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cn(C)ccc1=O ZINC001447896949 891744386 /nfs/dbraw/zinc/74/43/86/891744386.db2.gz RFWUVHMDGBGPGW-BDAKNGLRSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](NC(=O)c1cccn(C)c1=O)[C@H](C)NCC(N)=O ZINC001447935855 891744462 /nfs/dbraw/zinc/74/44/62/891744462.db2.gz SXPVTFJYNJRYHQ-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](NC(=O)Cn1ncn(C)c1=O)[C@H](C)NCC(N)=O ZINC001447895020 891744485 /nfs/dbraw/zinc/74/44/85/891744485.db2.gz ZDFMGCBGEXSMMX-JGVFFNPUSA-N 0 3 284.320 -2.450 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001447933357 891744517 /nfs/dbraw/zinc/74/45/17/891744517.db2.gz NSMJKAGMLPRGAI-RKDXNWHRSA-N 0 3 297.359 -1.434 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001447930858 891745045 /nfs/dbraw/zinc/74/50/45/891745045.db2.gz HALYGBXGJKVGEA-RQJHMYQMSA-N 0 3 280.350 -2.496 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001447933339 891745542 /nfs/dbraw/zinc/74/55/42/891745542.db2.gz NSMJKAGMLPRGAI-BDAKNGLRSA-N 0 3 297.359 -1.434 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001447905566 891746021 /nfs/dbraw/zinc/74/60/21/891746021.db2.gz KAILSPCRKZUZPW-HTQZYQBOSA-N 0 3 295.343 -1.044 20 0 CAADHN CCCC[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001448251605 891757381 /nfs/dbraw/zinc/75/73/81/891757381.db2.gz QXARBIDSBKNHFX-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCCC[C@H](CNCC(N)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001448251609 891757626 /nfs/dbraw/zinc/75/76/26/891757626.db2.gz QXARBIDSBKNHFX-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN Cn1nnc(C(=O)NC2(CNCC(N)=O)CCCCC2)n1 ZINC001448229115 891757782 /nfs/dbraw/zinc/75/77/82/891757782.db2.gz UOONTLWCHYFAAG-UHFFFAOYSA-N 0 3 295.347 -1.282 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1(CCO)CN(CC(N)=O)C1 ZINC001448188763 891757929 /nfs/dbraw/zinc/75/79/29/891757929.db2.gz IIYXTQHOSIDXKF-UHFFFAOYSA-N 0 3 295.343 -1.701 20 0 CAADHN Cc1nc(CC(=O)NC[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)n[nH]1 ZINC001448418018 891761411 /nfs/dbraw/zinc/76/14/11/891761411.db2.gz HSSUSJLRHBYRGA-OWUUHHOZSA-N 0 3 292.343 -1.565 20 0 CAADHN COC[C@H](O)CN1CC([C@@H](C)NC(=O)c2cnn(C)n2)C1 ZINC001448344411 891762012 /nfs/dbraw/zinc/76/20/12/891762012.db2.gz RBODHNWJAXGQNE-MWLCHTKSSA-N 0 3 297.359 -1.128 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ccn(C)n2)CCO1 ZINC001448468562 891763860 /nfs/dbraw/zinc/76/38/60/891763860.db2.gz YSHJFGZTMLZWNH-KOLCDFICSA-N 0 3 295.343 -1.276 20 0 CAADHN CCOCC(=O)N1CCO[C@@H]([C@@H](C)NCC(=O)NC)C1 ZINC001448465396 891765107 /nfs/dbraw/zinc/76/51/07/891765107.db2.gz HOQHKPSAYLBJOT-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001448463886 891765217 /nfs/dbraw/zinc/76/52/17/891765217.db2.gz IJXBXQNIUOHHJJ-RKDXNWHRSA-N 0 3 281.316 -1.286 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)Cn2ncnn2)CCO1 ZINC001448479286 891765428 /nfs/dbraw/zinc/76/54/28/891765428.db2.gz ZEYHALODOSTZQB-RKDXNWHRSA-N 0 3 297.319 -2.636 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001448630427 891766144 /nfs/dbraw/zinc/76/61/44/891766144.db2.gz IVUOLQAXMDJVSX-SNVBAGLBSA-N 0 3 297.363 -1.412 20 0 CAADHN C[C@@H](NC[C@H](C1CC1)N(C)C(=O)CCNC(N)=O)C(N)=O ZINC001448620520 891766430 /nfs/dbraw/zinc/76/64/30/891766430.db2.gz SYMYDJPSZQVQNP-PSASIEDQSA-N 0 3 299.375 -1.255 20 0 CAADHN C[C@@H](CN(C)C(=O)Cc1cc[nH]n1)NCC(=O)NC(N)=O ZINC001448632181 891766625 /nfs/dbraw/zinc/76/66/25/891766625.db2.gz BESFBLYQHNLRQT-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001448619060 891767094 /nfs/dbraw/zinc/76/70/94/891767094.db2.gz AWICBDIGILSVRT-MRVPVSSYSA-N 0 3 274.321 -1.346 20 0 CAADHN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)N[C@@H]1CCNC1=O ZINC001448637171 891767125 /nfs/dbraw/zinc/76/71/25/891767125.db2.gz XZIYPCITFKZUSU-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cnnn1)NCC(=O)NC1CC1 ZINC001448636514 891767308 /nfs/dbraw/zinc/76/73/08/891767308.db2.gz SZZUDMGJQQQDMI-SECBINFHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cnc(C(N)=O)n1)NCCF ZINC001448654720 891767333 /nfs/dbraw/zinc/76/73/33/891767333.db2.gz QRHOYROQMUBSGY-MRVPVSSYSA-N 0 3 286.311 -1.217 20 0 CAADHN Cc1nc(CN[C@@H](C)CN(C)C(=O)Cn2cnnn2)n[nH]1 ZINC001448635576 891767423 /nfs/dbraw/zinc/76/74/23/891767423.db2.gz SJQFDXACEFIMOM-QMMMGPOBSA-N 0 3 293.335 -1.264 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1COCCO1 ZINC001448632593 891767447 /nfs/dbraw/zinc/76/74/47/891767447.db2.gz PRNCUEZARDTXKA-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001448576928 891767507 /nfs/dbraw/zinc/76/75/07/891767507.db2.gz CKACQFCJWDAOFG-KWQFWETISA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)NCC(=O)N(C)C ZINC001448646574 891767560 /nfs/dbraw/zinc/76/75/60/891767560.db2.gz GCLDFOJWGDGDAK-IUCAKERBSA-N 0 3 287.364 -1.432 20 0 CAADHN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)N[C@@H]1CCNC1=O ZINC001448637178 891767602 /nfs/dbraw/zinc/76/76/02/891767602.db2.gz XZIYPCITFKZUSU-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN Cc1nc(CN[C@H](C)CN(C)C(=O)Cn2cnnn2)n[nH]1 ZINC001448635573 891767746 /nfs/dbraw/zinc/76/77/46/891767746.db2.gz SJQFDXACEFIMOM-MRVPVSSYSA-N 0 3 293.335 -1.264 20 0 CAADHN C[C@H](NC[C@H](C1CC1)N(C)C(=O)Cn1cncn1)C(N)=O ZINC001448613930 891767992 /nfs/dbraw/zinc/76/79/92/891767992.db2.gz FSQHPEFYZXRGDF-GXSJLCMTSA-N 0 3 294.359 -1.022 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1COCCO1 ZINC001448632595 891768010 /nfs/dbraw/zinc/76/80/10/891768010.db2.gz PRNCUEZARDTXKA-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001448627261 891768208 /nfs/dbraw/zinc/76/82/08/891768208.db2.gz FLUPIZSFGAQCIR-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CN(C)C(=O)CNC(=O)N1CCCC1)NCC(N)=O ZINC001448649801 891768399 /nfs/dbraw/zinc/76/83/99/891768399.db2.gz JKGZKPGDLYUDAV-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)NCC(N)=O ZINC001448708250 891769860 /nfs/dbraw/zinc/76/98/60/891769860.db2.gz YNHGKOYVWYORLJ-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)NCC(N)=O ZINC001448718570 891770570 /nfs/dbraw/zinc/77/05/70/891770570.db2.gz MDNRKNWSLDXWFD-VIFPVBQESA-N 0 3 285.348 -2.660 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)C[C@@H](C)NCCF ZINC001448706967 891771114 /nfs/dbraw/zinc/77/11/14/891771114.db2.gz VNCXTYMVPHLUNE-MRVPVSSYSA-N 0 3 284.357 -1.554 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001448776042 891772858 /nfs/dbraw/zinc/77/28/58/891772858.db2.gz OEYPEAASIONFFU-SECBINFHSA-N 0 3 295.343 -1.424 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001448768570 891774501 /nfs/dbraw/zinc/77/45/01/891774501.db2.gz BGNJHCSCMLMTGK-GXSJLCMTSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)NCC(N)=O ZINC001448794431 891776492 /nfs/dbraw/zinc/77/64/92/891776492.db2.gz XNGVVAKGRHSSNW-JGVFFNPUSA-N 0 3 292.361 -2.400 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)NCC(N)=O ZINC001448794422 891777738 /nfs/dbraw/zinc/77/77/38/891777738.db2.gz XNGVVAKGRHSSNW-HTQZYQBOSA-N 0 3 292.361 -2.400 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCCC1=O)[C@@H]1CCCO1 ZINC001448813218 891779927 /nfs/dbraw/zinc/77/99/27/891779927.db2.gz RLIRPTKGMRFVQR-RYUDHWBXSA-N 0 3 299.371 -1.146 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)[C@@H]1CCOC1 ZINC001448823733 891785085 /nfs/dbraw/zinc/78/50/85/891785085.db2.gz JKHHRVWMXMCFTF-MNOVXSKESA-N 0 3 283.332 -1.619 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)c1ccn[nH]1 ZINC001448826864 891785713 /nfs/dbraw/zinc/78/57/13/891785713.db2.gz ZTQMGAADQCWKDF-SECBINFHSA-N 0 3 279.304 -1.618 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@@H](CO)NCCn1cncn1 ZINC001448828412 891787197 /nfs/dbraw/zinc/78/71/97/891787197.db2.gz HTYQZJUSTLBYDU-NSHDSACASA-N 0 3 297.359 -1.350 20 0 CAADHN O=C(CC1(O)CCC1)NC[C@H](CO)NCCn1cncn1 ZINC001448828408 891789075 /nfs/dbraw/zinc/78/90/75/891789075.db2.gz HTYQZJUSTLBYDU-LLVKDONJSA-N 0 3 297.359 -1.350 20 0 CAADHN CC(C)N1CCC[C@H]1C(=O)NC[C@H](CO)NCC(N)=O ZINC001448846632 891796549 /nfs/dbraw/zinc/79/65/49/891796549.db2.gz SBRFOGWFGFEZAQ-MNOVXSKESA-N 0 3 286.376 -1.589 20 0 CAADHN COc1coc(C(=O)NC[C@H](CO)NCCO)cc1=O ZINC001448872396 891799123 /nfs/dbraw/zinc/79/91/23/891799123.db2.gz SVCXMGJTXDLLHP-MRVPVSSYSA-N 0 3 286.284 -1.679 20 0 CAADHN Cn1ccc(CN[C@H](CO)CNC(=O)Cc2cnc[nH]2)n1 ZINC001448897595 891805848 /nfs/dbraw/zinc/80/58/48/891805848.db2.gz CPWCKQIKTLGJSY-LBPRGKRZSA-N 0 3 292.343 -1.047 20 0 CAADHN Cn1ccc(CN[C@@H](CO)CNC(=O)Cc2cnc[nH]2)n1 ZINC001448897585 891806497 /nfs/dbraw/zinc/80/64/97/891806497.db2.gz CPWCKQIKTLGJSY-GFCCVEGCSA-N 0 3 292.343 -1.047 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@H](CO)NCCF)C1 ZINC001448952693 891814451 /nfs/dbraw/zinc/81/44/51/891814451.db2.gz OOABDGHREDBRFZ-MNOVXSKESA-N 0 3 277.340 -1.257 20 0 CAADHN CCOCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@H]1C ZINC001448958961 891815785 /nfs/dbraw/zinc/81/57/85/891815785.db2.gz HGFUPXRJJHPNGZ-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CN(C)C(C)=O)C1 ZINC001448979285 891818244 /nfs/dbraw/zinc/81/82/44/891818244.db2.gz IWXFHWYMWHZGFB-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CCCC(N)=O)C1 ZINC001449016930 891818682 /nfs/dbraw/zinc/81/86/82/891818682.db2.gz NNLHYEMTXFSIPY-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CCNC(N)=O)[C@@H]1C ZINC001448981004 891818725 /nfs/dbraw/zinc/81/87/25/891818725.db2.gz OMMNYEIUZVDLEG-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN COC(=O)NCC(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC001448976632 891818934 /nfs/dbraw/zinc/81/89/34/891818934.db2.gz FIODWDAAJPKEQY-YUMQZZPRSA-N 0 3 272.305 -1.593 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001449063117 891819045 /nfs/dbraw/zinc/81/90/45/891819045.db2.gz QPPQYGHKRXBUKX-IUCAKERBSA-N 0 3 283.332 -1.415 20 0 CAADHN CNC(=O)CN[C@H]1C[C@H](C)N(C(=O)c2cnnn2C)C1 ZINC001449001595 891819189 /nfs/dbraw/zinc/81/91/89/891819189.db2.gz PMHRXWJJENXMDM-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)c1ncc[nH]1 ZINC001448987002 891819673 /nfs/dbraw/zinc/81/96/73/891819673.db2.gz RGNWIGSWDYWGBD-HTQZYQBOSA-N 0 3 294.315 -1.203 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)c2cnnn2C)C1 ZINC001449001600 891819699 /nfs/dbraw/zinc/81/96/99/891819699.db2.gz PMHRXWJJENXMDM-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H](CO)CN(C)C ZINC001449057216 891819725 /nfs/dbraw/zinc/81/97/25/891819725.db2.gz DHFCFNWLQIQAQM-IUCAKERBSA-N 0 3 299.335 -2.784 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNCC(=O)N(C)C(C)C ZINC001449074160 891820371 /nfs/dbraw/zinc/82/03/71/891820371.db2.gz FDILDUTUWWEQLB-LLVKDONJSA-N 0 3 289.376 -1.092 20 0 CAADHN COC(=O)NCC(=O)N1C[C@H](NCC(N)=O)C[C@H]1C ZINC001448976621 891820701 /nfs/dbraw/zinc/82/07/01/891820701.db2.gz FIODWDAAJPKEQY-HTQZYQBOSA-N 0 3 272.305 -1.593 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)Cn2cnnn2)CC1(C)C ZINC001449065399 891820514 /nfs/dbraw/zinc/82/05/14/891820514.db2.gz CVXMWLPAXQKJOR-SECBINFHSA-N 0 3 295.347 -1.754 20 0 CAADHN C[C@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)c1ncc[nH]1 ZINC001448987006 891820825 /nfs/dbraw/zinc/82/08/25/891820825.db2.gz RGNWIGSWDYWGBD-JGVFFNPUSA-N 0 3 294.315 -1.203 20 0 CAADHN CCC(=O)N(C)C[C@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001449083245 891820983 /nfs/dbraw/zinc/82/09/83/891820983.db2.gz OKQWJRYBEJIERW-JGVFFNPUSA-N 0 3 274.321 -1.611 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CCCC(N)=O)C1 ZINC001449016931 891821306 /nfs/dbraw/zinc/82/13/06/891821306.db2.gz NNLHYEMTXFSIPY-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)Cn2cncn2)CC1(C)C ZINC001449078043 891821834 /nfs/dbraw/zinc/82/18/34/891821834.db2.gz ATQMYZMMUKBNAD-JTQLQIEISA-N 0 3 294.359 -1.149 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1C[C@H](C)N(C(=O)COC)C1 ZINC001448974600 891821864 /nfs/dbraw/zinc/82/18/64/891821864.db2.gz LGWGHHIEHYTAIJ-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cc1ccon1 ZINC001449102187 891822730 /nfs/dbraw/zinc/82/27/30/891822730.db2.gz NGVIZCUENWLMDR-SNVBAGLBSA-N 0 3 284.316 -1.628 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)C1CC1 ZINC001449094493 891822778 /nfs/dbraw/zinc/82/27/78/891822778.db2.gz QMNHUTWUAJIQEA-MRVPVSSYSA-N 0 3 272.305 -2.000 20 0 CAADHN Cc1noc(C)c1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001449094426 891823142 /nfs/dbraw/zinc/82/31/42/891823142.db2.gz ROKUPKCVBTYKKK-VIFPVBQESA-N 0 3 284.316 -1.201 20 0 CAADHN CO[C@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)NC(C)C ZINC001449094755 891823278 /nfs/dbraw/zinc/82/32/78/891823278.db2.gz PGQBUZKZLKZTEI-GHMZBOCLSA-N 0 3 289.376 -1.045 20 0 CAADHN Cc1cc(CC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O)no1 ZINC001449106094 891823309 /nfs/dbraw/zinc/82/33/09/891823309.db2.gz FIORHTRGMFIXHF-ONGXEEELSA-N 0 3 298.343 -1.192 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCn1ccnn1 ZINC001449106848 891823831 /nfs/dbraw/zinc/82/38/31/891823831.db2.gz HKSPMQRDZHJPSM-SECBINFHSA-N 0 3 284.320 -2.438 20 0 CAADHN C[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1cccn1 ZINC001449097068 891823678 /nfs/dbraw/zinc/82/36/78/891823678.db2.gz SGWLNAJOHHGRRI-ZJUUUORDSA-N 0 3 283.332 -1.662 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@@H]2CCNC2=O)[nH]n1 ZINC001449090804 891824100 /nfs/dbraw/zinc/82/41/00/891824100.db2.gz FCEIIGGJZMXTHD-NXEZZACHSA-N 0 3 295.343 -1.371 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@@H](O)CN[C@@H]2CCNC2=O)[nH]n1 ZINC001449090818 891824344 /nfs/dbraw/zinc/82/43/44/891824344.db2.gz FCEIIGGJZMXTHD-VHSXEESVSA-N 0 3 295.343 -1.371 20 0 CAADHN Cc1cc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)[nH]n1 ZINC001449090692 891824415 /nfs/dbraw/zinc/82/44/15/891824415.db2.gz DUOTZCPCUGTKCP-DTWKUNHWSA-N 0 3 283.332 -1.386 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)CCn1ccnn1 ZINC001449106933 891825160 /nfs/dbraw/zinc/82/51/60/891825160.db2.gz HKSPMQRDZHJPSM-VIFPVBQESA-N 0 3 284.320 -2.438 20 0 CAADHN COC(=O)NCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001449098001 891825235 /nfs/dbraw/zinc/82/52/35/891825235.db2.gz VYABFTCWIZQKRT-YUMQZZPRSA-N 0 3 290.320 -2.375 20 0 CAADHN Cc1cnc(C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)cn1 ZINC001449100154 891825269 /nfs/dbraw/zinc/82/52/69/891825269.db2.gz IQSYWCQAUJLJGX-ZJUUUORDSA-N 0 3 295.343 -1.319 20 0 CAADHN Cc1cc(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)no1 ZINC001449106289 891825338 /nfs/dbraw/zinc/82/53/38/891825338.db2.gz FNLPFLBXRBGJIF-JTQLQIEISA-N 0 3 284.316 -1.580 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1COCCO1 ZINC001449107416 891825400 /nfs/dbraw/zinc/82/54/00/891825400.db2.gz BFFBIMQHBLYIGG-IUCAKERBSA-N 0 3 275.305 -2.704 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001449085248 891825997 /nfs/dbraw/zinc/82/59/97/891825997.db2.gz DTEMRHAFJQZROX-WPRPVWTQSA-N 0 3 288.348 -2.334 20 0 CAADHN Cc1cc(CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O)no1 ZINC001449106083 891826060 /nfs/dbraw/zinc/82/60/60/891826060.db2.gz FIORHTRGMFIXHF-KOLCDFICSA-N 0 3 298.343 -1.192 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CC1(F)F ZINC001449127483 891827122 /nfs/dbraw/zinc/82/71/22/891827122.db2.gz QFBZLDKDVWMBDB-YUMQZZPRSA-N 0 3 279.287 -1.204 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001449123202 891827442 /nfs/dbraw/zinc/82/74/42/891827442.db2.gz PFDMXILMDROQLK-BDAKNGLRSA-N 0 3 298.347 -2.028 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CC1(F)F ZINC001449127465 891827578 /nfs/dbraw/zinc/82/75/78/891827578.db2.gz QFBZLDKDVWMBDB-JGVFFNPUSA-N 0 3 279.287 -1.204 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cnnn1C ZINC001449123216 891828465 /nfs/dbraw/zinc/82/84/65/891828465.db2.gz PFDMXILMDROQLK-IUCAKERBSA-N 0 3 298.347 -2.028 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001449130381 891828494 /nfs/dbraw/zinc/82/84/94/891828494.db2.gz XFQLDUPGCVDNNB-RKDXNWHRSA-N 0 3 298.347 -1.899 20 0 CAADHN Cc1ccc(C(=O)N(C)C[C@H](O)CN[C@@H](C)C(N)=O)nn1 ZINC001449129750 891828559 /nfs/dbraw/zinc/82/85/59/891828559.db2.gz SGBOAOLDDKBRFT-VHSXEESVSA-N 0 3 295.343 -1.319 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CCC(=O)N1 ZINC001449117430 891828662 /nfs/dbraw/zinc/82/86/62/891828662.db2.gz RWKKKXGQKJTHCK-JGVFFNPUSA-N 0 3 272.305 -2.841 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C1CCC(O)CC1 ZINC001449117800 891828842 /nfs/dbraw/zinc/82/88/42/891828842.db2.gz JCMDQJYYVPOUKI-VQXHTEKXSA-N 0 3 287.360 -1.568 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](O)CNCC(N)=O)o1 ZINC001449128431 891828989 /nfs/dbraw/zinc/82/89/89/891828989.db2.gz VVXCJARIAOIEMF-MRVPVSSYSA-N 0 3 285.304 -2.185 20 0 CAADHN COC[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001449123473 891829150 /nfs/dbraw/zinc/82/91/50/891829150.db2.gz YSMZPRUGYRAMPZ-GHMZBOCLSA-N 0 3 289.376 -1.234 20 0 CAADHN Cc1nn(C)cc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001449123261 891829791 /nfs/dbraw/zinc/82/97/91/891829791.db2.gz YDRLRODYOJKKCD-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN CSC[C@H](C)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001449117584 891829469 /nfs/dbraw/zinc/82/94/69/891829469.db2.gz SCZJGFIUCDTGEX-DTWKUNHWSA-N 0 3 277.390 -1.120 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C1CCC(O)CC1 ZINC001449117791 891829534 /nfs/dbraw/zinc/82/95/34/891829534.db2.gz JCMDQJYYVPOUKI-ILDUYXDCSA-N 0 3 287.360 -1.568 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001449130378 891829849 /nfs/dbraw/zinc/82/98/49/891829849.db2.gz XFQLDUPGCVDNNB-IUCAKERBSA-N 0 3 298.347 -1.899 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001449130204 891830045 /nfs/dbraw/zinc/83/00/45/891830045.db2.gz JOOWQAXVSKBOOH-ZETCQYMHSA-N 0 3 270.293 -2.427 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ncc[nH]1 ZINC001449114915 891830287 /nfs/dbraw/zinc/83/02/87/891830287.db2.gz BGHWSFXFXLQWMN-RKDXNWHRSA-N 0 3 281.316 -1.679 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)CC(C)(C)O ZINC001449116088 891830368 /nfs/dbraw/zinc/83/03/68/891830368.db2.gz HFMAWFABFAOZIX-NXEZZACHSA-N 0 3 289.376 -1.309 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cnnc(C)c1 ZINC001449120016 891830729 /nfs/dbraw/zinc/83/07/29/891830729.db2.gz YQAIPBOWPLHDRO-NSHDSACASA-N 0 3 295.343 -1.446 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001449141215 891831604 /nfs/dbraw/zinc/83/16/04/891831604.db2.gz ZXHXGISFOHBUFN-IUCAKERBSA-N 0 3 286.332 -2.593 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1cncn1C ZINC001449141065 891831783 /nfs/dbraw/zinc/83/17/83/891831783.db2.gz HRQMGNJNYXULMH-UWVGGRQHSA-N 0 3 297.359 -1.423 20 0 CAADHN CO[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1CCC1 ZINC001449137109 891831926 /nfs/dbraw/zinc/83/19/26/891831926.db2.gz SQASDKMZYFOQEF-CMPLNLGQSA-N 0 3 287.360 -1.304 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001449139858 891831997 /nfs/dbraw/zinc/83/19/97/891831997.db2.gz PMMFINUQCKHAAQ-MWLCHTKSSA-N 0 3 298.343 -1.240 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cc1ccc(F)cn1 ZINC001449140982 891832658 /nfs/dbraw/zinc/83/26/58/891832658.db2.gz ZMSABNKJOWVDSJ-LLVKDONJSA-N 0 3 298.318 -1.343 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)CCc1cn[nH]c1 ZINC001449147460 891832787 /nfs/dbraw/zinc/83/27/87/891832787.db2.gz KCQSBTGEVPFWTM-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cc(C2CC2)n[nH]1 ZINC001449145195 891832916 /nfs/dbraw/zinc/83/29/16/891832916.db2.gz JDJTYYZLSVSLLF-SECBINFHSA-N 0 3 295.343 -1.205 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1cnon1 ZINC001449160534 891833574 /nfs/dbraw/zinc/83/35/74/891833574.db2.gz HSOBZZGUFNJKBG-BDAKNGLRSA-N 0 3 297.315 -1.677 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)Cc1cnoc1 ZINC001449139854 891834052 /nfs/dbraw/zinc/83/40/52/891834052.db2.gz PMMFINUQCKHAAQ-GXSJLCMTSA-N 0 3 298.343 -1.240 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnon1)C(N)=O ZINC001449157423 891834170 /nfs/dbraw/zinc/83/41/70/891834170.db2.gz CHNZUFAGEGKBJM-HTQZYQBOSA-N 0 3 285.304 -1.644 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1nc(C)c[nH]1 ZINC001449144776 891834321 /nfs/dbraw/zinc/83/43/21/891834321.db2.gz DRDKXDWPXMYKOG-VIFPVBQESA-N 0 3 283.332 -1.513 20 0 CAADHN CO[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)C1CCC1 ZINC001449137123 891834353 /nfs/dbraw/zinc/83/43/53/891834353.db2.gz SQASDKMZYFOQEF-PWSUYJOCSA-N 0 3 287.360 -1.304 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001449145695 891834526 /nfs/dbraw/zinc/83/45/26/891834526.db2.gz QJRMMVACBZLKEU-SNVBAGLBSA-N 0 3 297.359 -1.421 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1cncn1C ZINC001449141066 891834845 /nfs/dbraw/zinc/83/48/45/891834845.db2.gz HRQMGNJNYXULMH-VHSXEESVSA-N 0 3 297.359 -1.423 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)CCc1ccon1)C(N)=O ZINC001449142351 891834896 /nfs/dbraw/zinc/83/48/96/891834896.db2.gz VPFYHHINMDOZGL-GXSJLCMTSA-N 0 3 298.343 -1.110 20 0 CAADHN CCc1n[nH]cc1C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001449139427 891835121 /nfs/dbraw/zinc/83/51/21/891835121.db2.gz WHETXNLRTVRGSF-VIFPVBQESA-N 0 3 297.359 -1.259 20 0 CAADHN COc1ccc(C(=O)N(C)C[C@H](O)CNCC(N)=O)o1 ZINC001449164763 891836794 /nfs/dbraw/zinc/83/67/94/891836794.db2.gz NGMOPENYOLMSHL-MRVPVSSYSA-N 0 3 285.300 -1.204 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCN(C)C1=O)C(=O)c1cnon1 ZINC001449160542 891837234 /nfs/dbraw/zinc/83/72/34/891837234.db2.gz HSOBZZGUFNJKBG-IUCAKERBSA-N 0 3 297.315 -1.677 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cnon1 ZINC001449160686 891837935 /nfs/dbraw/zinc/83/79/35/891837935.db2.gz IHSYGDJBPADECX-YUMQZZPRSA-N 0 3 283.288 -2.019 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1nnn(C)n1 ZINC001449161066 891837995 /nfs/dbraw/zinc/83/79/95/891837995.db2.gz YMLRWFHQJMMXTD-SFYZADRCSA-N 0 3 299.335 -2.633 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1cnon1 ZINC001449160645 891838339 /nfs/dbraw/zinc/83/83/39/891838339.db2.gz IHSYGDJBPADECX-HTQZYQBOSA-N 0 3 283.288 -2.019 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001449190032 891838536 /nfs/dbraw/zinc/83/85/36/891838536.db2.gz VDLDXTMNXSMWNH-NXEZZACHSA-N 0 3 298.347 -2.179 20 0 CAADHN Cc1conc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001449168317 891839325 /nfs/dbraw/zinc/83/93/25/891839325.db2.gz UCMOLAYQHWABRH-MRVPVSSYSA-N 0 3 270.289 -1.509 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)Cc1cncn1C)C(N)=O ZINC001449166547 891839656 /nfs/dbraw/zinc/83/96/56/891839656.db2.gz XLJIIABMKIFPCW-KOLCDFICSA-N 0 3 297.359 -1.755 20 0 CAADHN COc1ccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)o1 ZINC001449164766 891840127 /nfs/dbraw/zinc/84/01/27/891840127.db2.gz NGMOPENYOLMSHL-QMMMGPOBSA-N 0 3 285.300 -1.204 20 0 CAADHN CN(CC(N)=O)C[C@H](O)CN(C)C(=O)CCc1cnn[nH]1 ZINC001449218870 891844298 /nfs/dbraw/zinc/84/42/98/891844298.db2.gz UYIUGVWDKRNJDD-JTQLQIEISA-N 0 3 298.347 -2.026 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001449193293 891844434 /nfs/dbraw/zinc/84/44/34/891844434.db2.gz QXJFSPGTILABLC-LLVKDONJSA-N 0 3 297.359 -1.654 20 0 CAADHN COCC[N@H+](C)C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449256299 891848977 /nfs/dbraw/zinc/84/89/77/891848977.db2.gz UABISNDVXGLCLB-VIFPVBQESA-N 0 3 271.321 -1.184 20 0 CAADHN COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1nc[n-]n1 ZINC001449256299 891848986 /nfs/dbraw/zinc/84/89/86/891848986.db2.gz UABISNDVXGLCLB-VIFPVBQESA-N 0 3 271.321 -1.184 20 0 CAADHN CN1CCN(CC2CN(C(=O)CCC(N)=O)C2)CC1 ZINC001450172663 891863093 /nfs/dbraw/zinc/86/30/93/891863093.db2.gz PWFDLCPLFNGOOZ-UHFFFAOYSA-N 0 3 268.361 -1.042 20 0 CAADHN COC(=O)NCC(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001450279293 891866724 /nfs/dbraw/zinc/86/67/24/891866724.db2.gz LZFZKRYDUATVBJ-SNVBAGLBSA-N 0 3 298.343 -1.236 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)Cn2cncn2)C1 ZINC001450346536 891871062 /nfs/dbraw/zinc/87/10/62/891871062.db2.gz NYZRHBDPFIWBAG-UHFFFAOYSA-N 0 3 294.359 -1.053 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001450345301 891871700 /nfs/dbraw/zinc/87/17/00/891871700.db2.gz LZBKNOVDCGQSGE-JTQLQIEISA-N 0 3 297.359 -1.663 20 0 CAADHN CCN(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)COC ZINC001451284068 891892771 /nfs/dbraw/zinc/89/27/71/891892771.db2.gz NUJNVXFOJXTGDH-JTQLQIEISA-N 0 3 289.376 -1.044 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](CO)CNC(=O)c1cn[nH]c1 ZINC001451328185 891899492 /nfs/dbraw/zinc/89/94/92/891899492.db2.gz QBPGMYALJUSNFQ-LLVKDONJSA-N 0 3 297.359 -1.043 20 0 CAADHN CCCN(C)CC(=O)N[C@H](CO)CNC(=O)c1ncc[nH]1 ZINC001451391138 891907491 /nfs/dbraw/zinc/90/74/91/891907491.db2.gz WDHRAYCUUXDPBO-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN COCC(=O)NC[C@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001452228284 891939663 /nfs/dbraw/zinc/93/96/63/891939663.db2.gz IMJWAMPSQKZCRI-SECBINFHSA-N 0 3 284.316 -1.500 20 0 CAADHN COCC(=O)NC[C@@H](O)CNC(=O)Cc1nc[nH]c1C ZINC001452228287 891940423 /nfs/dbraw/zinc/94/04/23/891940423.db2.gz IMJWAMPSQKZCRI-VIFPVBQESA-N 0 3 284.316 -1.500 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](O)CNC(=O)c1ccn[nH]1 ZINC001452288358 891943087 /nfs/dbraw/zinc/94/30/87/891943087.db2.gz KAQDAJQWNNWSEF-JTQLQIEISA-N 0 3 297.359 -1.043 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001452282825 891943123 /nfs/dbraw/zinc/94/31/23/891943123.db2.gz HXWORCQMUPUVRU-MNOVXSKESA-N 0 3 289.376 -1.045 20 0 CAADHN CN(C)CCn1nccc1C(=O)N[C@]1(C(N)=O)CCOC1 ZINC001452494670 891953641 /nfs/dbraw/zinc/95/36/41/891953641.db2.gz JLUXOIBWWONCGK-CYBMUJFWSA-N 0 3 295.343 -1.181 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H](C)NC(=O)Cn1ncnn1 ZINC001452534232 891953965 /nfs/dbraw/zinc/95/39/65/891953965.db2.gz ODZOWOZGSLKNLG-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)CNC(N)=O)C1 ZINC001453561591 891976113 /nfs/dbraw/zinc/97/61/13/891976113.db2.gz ALERYAKNMMVXQT-SNVBAGLBSA-N 0 3 299.375 -1.288 20 0 CAADHN O=C(CCN1CCOCC1)NCc1n[nH]c(CO)n1 ZINC001453806915 891983649 /nfs/dbraw/zinc/98/36/49/891983649.db2.gz QEMBUBUBJGASSU-UHFFFAOYSA-N 0 3 269.305 -1.365 20 0 CAADHN C[C@H]1CN2CCN1C[C@@H]2C(=O)N[C@H](CO)Cc1c[nH]cn1 ZINC001455030061 892021008 /nfs/dbraw/zinc/02/10/08/892021008.db2.gz ZXQNPQSHQONJGD-WCFLWFBJSA-N 0 3 293.371 -1.182 20 0 CAADHN C[C@H]1CN2CCN1C[C@@H]2C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001455030061 892021019 /nfs/dbraw/zinc/02/10/19/892021019.db2.gz ZXQNPQSHQONJGD-WCFLWFBJSA-N 0 3 293.371 -1.182 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N[C@H](CO)Cc1c[nH]cn1 ZINC001455030058 892022105 /nfs/dbraw/zinc/02/21/05/892022105.db2.gz ZXQNPQSHQONJGD-KGYLQXTDSA-N 0 3 293.371 -1.182 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N[C@H](CO)Cc1cnc[nH]1 ZINC001455030058 892022123 /nfs/dbraw/zinc/02/21/23/892022123.db2.gz ZXQNPQSHQONJGD-KGYLQXTDSA-N 0 3 293.371 -1.182 20 0 CAADHN CN(C)C(=O)/C=C/C(=O)NCCN(C)CCOCCO ZINC001455176737 892030135 /nfs/dbraw/zinc/03/01/35/892030135.db2.gz JCOSTMQWOZEHBK-SNAWJCMRSA-N 0 3 287.360 -1.312 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCN(C)C(=O)CNC(N)=O ZINC001455395158 892040302 /nfs/dbraw/zinc/04/03/02/892040302.db2.gz LEZLYBMUIDLMAJ-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN CCN(CC)CC(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC001456261908 892068107 /nfs/dbraw/zinc/06/81/07/892068107.db2.gz JQPOSVJXHUQSBD-JTQLQIEISA-N 0 3 298.343 -1.236 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)Cn2cnnn2)C1 ZINC001456298918 892071320 /nfs/dbraw/zinc/07/13/20/892071320.db2.gz OXKOLQYNWSZYHG-UHFFFAOYSA-N 0 3 295.347 -1.660 20 0 CAADHN O=C(CN1CCOCC1)N1CC(N[C@H]2CCOC2)C1 ZINC001456293398 892071438 /nfs/dbraw/zinc/07/14/38/892071438.db2.gz FBXXAGVVJFNDLO-NSHDSACASA-N 0 3 269.345 -1.092 20 0 CAADHN CN1C[C@H](C(=O)N2CC(N[C@H]3CCOC3)C2)NC1=O ZINC001456297594 892072054 /nfs/dbraw/zinc/07/20/54/892072054.db2.gz BXFGLLNPSLZAQI-WCBMZHEXSA-N 0 3 268.317 -1.401 20 0 CAADHN O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CC(N[C@@H]2CCOC2)C1 ZINC001456302460 892072204 /nfs/dbraw/zinc/07/22/04/892072204.db2.gz WGAZKDOQBWHXIU-OJAKKHQRSA-N 0 3 298.339 -2.012 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001456293517 892072448 /nfs/dbraw/zinc/07/24/48/892072448.db2.gz DRFDIXNKQSDQIN-JTQLQIEISA-N 0 3 297.359 -1.665 20 0 CAADHN Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001456301304 892072503 /nfs/dbraw/zinc/07/25/03/892072503.db2.gz SZECOJXYMJPWOQ-LURJTMIESA-N 0 3 295.299 -1.327 20 0 CAADHN C[C@H](O)c1cn(CC(=O)N2CC(N[C@@H]3CCOC3)C2)nn1 ZINC001456303865 892072912 /nfs/dbraw/zinc/07/29/12/892072912.db2.gz ZARIYQLQGINSTI-VHSXEESVSA-N 0 3 295.343 -1.079 20 0 CAADHN Nc1nnn(CC(=O)NC[C@H]2CCN2C2CCOCC2)n1 ZINC001456276353 892073195 /nfs/dbraw/zinc/07/31/95/892073195.db2.gz RDUVIIANNMUBDC-SNVBAGLBSA-N 0 3 295.347 -1.375 20 0 CAADHN O=C([C@H]1COC(=O)N1)N1CC(N[C@H]2CCOC2)C1 ZINC001456305284 892073816 /nfs/dbraw/zinc/07/38/16/892073816.db2.gz RNDUORIKIQDGIK-IONNQARKSA-N 0 3 255.274 -1.316 20 0 CAADHN CN(C)CCn1nccc1C(=O)NC[C@@H](O)CO ZINC001456719521 892085775 /nfs/dbraw/zinc/08/57/75/892085775.db2.gz MFVUQSRLMIUGNA-SECBINFHSA-N 0 3 256.306 -1.472 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](C)CNC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001458543947 892121431 /nfs/dbraw/zinc/12/14/31/892121431.db2.gz LAHDVAIZPIIUDZ-GUBZILKMSA-N 0 3 299.375 -1.371 20 0 CAADHN CC(=O)NCC(=O)NC[C@H]1CCN1C(=O)[C@H]1CCCN1C ZINC001458644947 892125737 /nfs/dbraw/zinc/12/57/37/892125737.db2.gz KEHJONJAYHSCLC-VXGBXAGGSA-N 0 3 296.371 -1.066 20 0 CAADHN Cn1nnnc1CCN1CCC(NC(N)=O)CC1 ZINC001459604087 892134931 /nfs/dbraw/zinc/13/49/31/892134931.db2.gz IZOBIVMAHJNIAV-UHFFFAOYSA-N 0 3 253.310 -1.115 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C[C@H]2CNC(=O)C2)C1 ZINC001459485945 892135941 /nfs/dbraw/zinc/13/59/41/892135941.db2.gz HZICCUFLHFRVQD-RKDXNWHRSA-N 0 3 261.347 -1.254 20 0 CAADHN NC(=O)COC1CCN(CCN2CCNC2=O)CC1 ZINC001459630220 892136039 /nfs/dbraw/zinc/13/60/39/892136039.db2.gz VJCXARIQXCGASZ-UHFFFAOYSA-N 0 3 270.333 -1.022 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C[C@H]2CNC(=O)C2)C1 ZINC001459485653 892137468 /nfs/dbraw/zinc/13/74/68/892137468.db2.gz HZICCUFLHFRVQD-BDAKNGLRSA-N 0 3 261.347 -1.254 20 0 CAADHN COC(=O)[C@](C)(O)CN1CCN(CCO)[C@@H](C)C1 ZINC001459994938 892142171 /nfs/dbraw/zinc/14/21/71/892142171.db2.gz MCWXLILJNKRLJV-CMPLNLGQSA-N 0 3 260.334 -1.091 20 0 CAADHN NC(=O)[C@]1(NCCCN2C(=O)CNC2=O)CCOC1 ZINC001460308245 892143399 /nfs/dbraw/zinc/14/33/99/892143399.db2.gz HPWAJAFAQKBGTA-NSHDSACASA-N 0 3 270.289 -1.838 20 0 CAADHN NS(=O)(=O)CCCN1[C@H](CO)CC[C@H]1CO ZINC001460307299 892143438 /nfs/dbraw/zinc/14/34/38/892143438.db2.gz GEAXIBZMARNVRQ-IUCAKERBSA-N 0 3 252.336 -1.517 20 0 CAADHN CNC(=O)NC(=O)CCN1CCN(Cc2nnc[nH]2)CC1 ZINC001460328876 892143833 /nfs/dbraw/zinc/14/38/33/892143833.db2.gz NACQYUFGIJOBHA-UHFFFAOYSA-N 0 3 295.347 -1.232 20 0 CAADHN CNC(=O)NC(=O)CCN1CCCN(C=O)CC1 ZINC001460170061 892143869 /nfs/dbraw/zinc/14/38/69/892143869.db2.gz KGOBRJGAMCZFKH-UHFFFAOYSA-N 0 3 256.306 -1.004 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)c3cn(CC(N)=O)nn3)C[C@@H]21 ZINC001460229778 892144343 /nfs/dbraw/zinc/14/43/43/892144343.db2.gz REJLUNVIDMPHIX-SCZZXKLOSA-N 0 3 278.316 -1.461 20 0 CAADHN C[C@H]1CN(CCO)CCN1C[C@@H](O)C1(O)CCOCC1 ZINC001460231668 892144444 /nfs/dbraw/zinc/14/44/44/892144444.db2.gz DCYIFKFQWDZZND-QWHCGFSZSA-N 0 3 288.388 -1.113 20 0 CAADHN NS(=O)(=O)CCCN1CC[C@@H](O)[C@H](CO)C1 ZINC001460255750 892144847 /nfs/dbraw/zinc/14/48/47/892144847.db2.gz OXMIEDKESLTROB-DTWKUNHWSA-N 0 3 252.336 -1.660 20 0 CAADHN NS(=O)(=O)CCCN1CC[C@@H](O)[C@@H](CO)C1 ZINC001460255756 892146053 /nfs/dbraw/zinc/14/60/53/892146053.db2.gz OXMIEDKESLTROB-RKDXNWHRSA-N 0 3 252.336 -1.660 20 0 CAADHN C[C@H]1CN(CCO)CCN1C[C@H](O)C1(O)CCOCC1 ZINC001460231670 892146579 /nfs/dbraw/zinc/14/65/79/892146579.db2.gz DCYIFKFQWDZZND-STQMWFEESA-N 0 3 288.388 -1.113 20 0 CAADHN CCN1CC[C@H](N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001460427573 892148134 /nfs/dbraw/zinc/14/81/34/892148134.db2.gz DLVFQTHZDIZMGS-YIZRAAEISA-N 0 3 268.317 -1.874 20 0 CAADHN CC(=O)NCCCNC1(C(N)=O)CCS(=O)(=O)CC1 ZINC001460662963 892149833 /nfs/dbraw/zinc/14/98/33/892149833.db2.gz VUFZAEIKIHVVNF-UHFFFAOYSA-N 0 3 291.373 -1.465 20 0 CAADHN CN(C[C@H](O)CC1(O)CCOCC1)[C@@H]1COC[C@H]1O ZINC001460797895 892152617 /nfs/dbraw/zinc/15/26/17/892152617.db2.gz VFWPZCYPYBHCJO-IJLUTSLNSA-N 0 3 275.345 -1.030 20 0 CAADHN Cn1nnnc1CCN[C@@H]1C(=O)NCC12CCOCC2 ZINC001460852007 892153651 /nfs/dbraw/zinc/15/36/51/892153651.db2.gz NTQLXWBVVBORCK-SNVBAGLBSA-N 0 3 280.332 -1.363 20 0 CAADHN C[C@H](CNCc1cn(CC(N)=O)nn1)N1CCN(C)CC1 ZINC001461178333 892157386 /nfs/dbraw/zinc/15/73/86/892157386.db2.gz MFPVNGQSESOTPO-LLVKDONJSA-N 0 3 295.391 -1.511 20 0 CAADHN C[C@@H](CNCc1cn(CC(N)=O)nn1)N1CCN(C)CC1 ZINC001461178355 892157637 /nfs/dbraw/zinc/15/76/37/892157637.db2.gz MFPVNGQSESOTPO-NSHDSACASA-N 0 3 295.391 -1.511 20 0 CAADHN COCCOC[C@@H](C)NCC(=O)NCC(=O)OC ZINC001462511113 892158885 /nfs/dbraw/zinc/15/88/85/892158885.db2.gz HLSJZXULEQFJSK-SECBINFHSA-N 0 3 262.306 -1.083 20 0 CAADHN COCCOC[C@H](C)NCC(=O)NCC(=O)OC ZINC001462511180 892160043 /nfs/dbraw/zinc/16/00/43/892160043.db2.gz HLSJZXULEQFJSK-VIFPVBQESA-N 0 3 262.306 -1.083 20 0 CAADHN CCN1CCN([C@H](C)CNC(=O)Cn2nnc(N)n2)CC1 ZINC001464897765 892197299 /nfs/dbraw/zinc/19/72/99/892197299.db2.gz ZKUNJUXTPISMLU-SNVBAGLBSA-N 0 3 296.379 -1.603 20 0 CAADHN CN(C)CCN(C)C(=O)C1=NN(CCO)C(=O)CC1 ZINC001465580818 892204255 /nfs/dbraw/zinc/20/42/55/892204255.db2.gz VMTCMBWOPHHSAP-UHFFFAOYSA-N 0 3 270.333 -1.023 20 0 CAADHN C[C@H](NC(=O)[C@H](CO)NC(N)=O)C1=CCN(C)CC1 ZINC001466796851 892236649 /nfs/dbraw/zinc/23/66/49/892236649.db2.gz YXBBODNHQLZLMU-WPRPVWTQSA-N 0 3 270.333 -1.218 20 0 CAADHN C[C@@H](NC(=O)[C@H](CO)NC(N)=O)C1=CCN(C)CC1 ZINC001466796849 892237531 /nfs/dbraw/zinc/23/75/31/892237531.db2.gz YXBBODNHQLZLMU-SCZZXKLOSA-N 0 3 270.333 -1.218 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCCS(N)(=O)=O ZINC001467814625 892253712 /nfs/dbraw/zinc/25/37/12/892253712.db2.gz PHJPPDFXIRQJTF-QMMMGPOBSA-N 0 3 267.351 -1.906 20 0 CAADHN CN(C)CCn1nccc1C(=O)N[C@@H](CO)C(N)=O ZINC001467944868 892257783 /nfs/dbraw/zinc/25/77/83/892257783.db2.gz YCCDEHGUBFJBNQ-QMMMGPOBSA-N 0 3 269.305 -1.979 20 0 CAADHN NC(=O)CC(=O)NCC(=O)NCCN1CCCCC1 ZINC001468042717 892259998 /nfs/dbraw/zinc/25/99/98/892259998.db2.gz YJLNSHITQUONCI-UHFFFAOYSA-N 0 3 270.333 -1.420 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@@H]2COC[C@H]2O)CC1=O ZINC001468100500 892260462 /nfs/dbraw/zinc/26/04/62/892260462.db2.gz WOHJSPUNWKBEAB-GMTAPVOTSA-N 0 3 285.344 -1.728 20 0 CAADHN O=C(CNC(=O)Cn1cnnn1)NCCN1CCCCC1 ZINC001468043792 892261064 /nfs/dbraw/zinc/26/10/64/892261064.db2.gz RBIBMXXUZHQOPW-UHFFFAOYSA-N 0 3 295.347 -1.609 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC001468171684 892262699 /nfs/dbraw/zinc/26/26/99/892262699.db2.gz HWFIPOXLKJWZAI-NXEZZACHSA-N 0 3 288.348 -2.021 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)N[C@@H]1CCCN(CCCO)C1 ZINC001468171687 892263150 /nfs/dbraw/zinc/26/31/50/892263150.db2.gz HWFIPOXLKJWZAI-ZJUUUORDSA-N 0 3 288.348 -2.021 20 0 CAADHN CN1CCN(CC2CN(C(=O)[C@@H]3CC(=O)N3)C2)CC1 ZINC001468383363 892271427 /nfs/dbraw/zinc/27/14/27/892271427.db2.gz WVRXXWSEJHTNTG-NSHDSACASA-N 0 3 266.345 -1.419 20 0 CAADHN CN1C[C@H](O)C[C@]1(C)C(=O)NCc1n[nH]c(=O)n1C ZINC001469511194 892297244 /nfs/dbraw/zinc/29/72/44/892297244.db2.gz DZFUFDDHGWUQAB-RDDDGLTNSA-N 0 3 269.305 -1.408 20 0 CAADHN CCN(CC)CC(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001470559260 892318216 /nfs/dbraw/zinc/31/82/16/892318216.db2.gz KNSVIJIQKDQNIV-DTORHVGOSA-N 0 3 270.333 -1.627 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001470559265 892319895 /nfs/dbraw/zinc/31/98/95/892319895.db2.gz KNSVIJIQKDQNIV-RKDXNWHRSA-N 0 3 270.333 -1.627 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)NCCN1CC[C@H](O)C1 ZINC001470844965 892336191 /nfs/dbraw/zinc/33/61/91/892336191.db2.gz SGQRZNWDQHXCKV-IUCAKERBSA-N 0 3 284.316 -1.843 20 0 CAADHN CCN1CCN(CCC(=O)N2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC001471181075 892351346 /nfs/dbraw/zinc/35/13/46/892351346.db2.gz NNRDBHMCELJUDN-OLZOCXBDSA-N 0 3 285.388 -1.032 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@]12CCN(C1)CCC2 ZINC001471363792 892353767 /nfs/dbraw/zinc/35/37/67/892353767.db2.gz ZLZVBCDALDLMOR-ZDUSSCGKSA-N 0 3 266.345 -1.227 20 0 CAADHN CN(CCNC(=O)C[C@@H]1COC(=O)C1)CCOCCO ZINC001471516300 892359201 /nfs/dbraw/zinc/35/92/01/892359201.db2.gz AGOBWLBCQFQKAD-NSHDSACASA-N 0 3 288.344 -1.004 20 0 CAADHN CN(CCNC(=O)C[C@H]1COC(=O)C1)CCOCCO ZINC001471516298 892360516 /nfs/dbraw/zinc/36/05/16/892360516.db2.gz AGOBWLBCQFQKAD-LLVKDONJSA-N 0 3 288.344 -1.004 20 0 CAADHN CC(C)[C@H](NC(N)=O)C(=O)NCCN(C)CCO ZINC001471868256 892376454 /nfs/dbraw/zinc/37/64/54/892376454.db2.gz VHYLWRJWVCVSNO-VIFPVBQESA-N 0 3 260.338 -1.280 20 0 CAADHN CCN1C[C@@H](NC(=O)[C@@H](CO)NC(N)=O)C(C)(C)C1 ZINC001472058056 892383245 /nfs/dbraw/zinc/38/32/45/892383245.db2.gz VBPDHUPWMHMBBC-RKDXNWHRSA-N 0 3 272.349 -1.138 20 0 CAADHN CCN1C[C@H](NC(=O)[C@@H](CO)NC(N)=O)C(C)(C)C1 ZINC001472058030 892383381 /nfs/dbraw/zinc/38/33/81/892383381.db2.gz VBPDHUPWMHMBBC-BDAKNGLRSA-N 0 3 272.349 -1.138 20 0 CAADHN NC(=O)c1ncn(CC(=O)N2CC(N[C@@H]3CCOC3)C2)n1 ZINC001472083484 892384089 /nfs/dbraw/zinc/38/40/89/892384089.db2.gz LSLHVYMJIMSTAY-MRVPVSSYSA-N 0 3 294.315 -2.034 20 0 CAADHN Nc1ncn(CC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)n1 ZINC001472260171 892392709 /nfs/dbraw/zinc/39/27/09/892392709.db2.gz YJGULABOSSDFCC-MNOVXSKESA-N 0 3 294.359 -1.082 20 0 CAADHN Nc1ncn(CC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)n1 ZINC001472260170 892394858 /nfs/dbraw/zinc/39/48/58/892394858.db2.gz YJGULABOSSDFCC-GHMZBOCLSA-N 0 3 294.359 -1.082 20 0 CAADHN CNC(=O)N[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC001472877879 892409065 /nfs/dbraw/zinc/40/90/65/892409065.db2.gz FOTZKTAUBZYWMK-ZCFIWIBFSA-N 0 3 266.309 -1.066 20 0 CAADHN NS(=O)(=O)C[C@@H]1CCCN(C[C@@H](O)CO)C1 ZINC001473416415 892415074 /nfs/dbraw/zinc/41/50/74/892415074.db2.gz NRWZEBVWJFVGHB-RKDXNWHRSA-N 0 3 252.336 -1.660 20 0 CAADHN OC[C@@H]1CCN(C[C@H](O)CC2(O)CCOCC2)C[C@@H]1O ZINC001473443437 892413436 /nfs/dbraw/zinc/41/34/36/892413436.db2.gz YBGGIWMFIDFPDV-XQQFMLRXSA-N 0 3 289.372 -1.046 20 0 CAADHN NS(=O)(=O)C[C@H]1CCCN(C[C@@H](O)CO)C1 ZINC001473416406 892413630 /nfs/dbraw/zinc/41/36/30/892413630.db2.gz NRWZEBVWJFVGHB-DTWKUNHWSA-N 0 3 252.336 -1.660 20 0 CAADHN CC(C)(O)[C@@H](O)CN1CC[C@H](CNS(C)(=O)=O)C1 ZINC001473777802 892427654 /nfs/dbraw/zinc/42/76/54/892427654.db2.gz YNVSHLDFPRCEJO-ZJUUUORDSA-N 0 3 280.390 -1.011 20 0 CAADHN CC(=O)[C@](C)(O)CN(C)C[C@H](O)CN1CCOCC1 ZINC001473215302 892414573 /nfs/dbraw/zinc/41/45/73/892414573.db2.gz JHNRPEBDBYZDNP-QWHCGFSZSA-N 0 3 274.361 -1.049 20 0 CAADHN NC(=O)C1(O)CCN(C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001473469039 892414696 /nfs/dbraw/zinc/41/46/96/892414696.db2.gz PMOYEASJPNHQKK-CMPLNLGQSA-N 0 3 288.344 -1.799 20 0 CAADHN CNS(=O)(=O)NC1CCN(C[C@@H](O)C(C)(C)O)CC1 ZINC001473443732 892414736 /nfs/dbraw/zinc/41/47/36/892414736.db2.gz JVNJYNZRRFGUKV-SNVBAGLBSA-N 0 3 295.405 -1.364 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)C[C@@]2(O)CCOC2)CCN1CCO ZINC001473412173 892414772 /nfs/dbraw/zinc/41/47/72/892414772.db2.gz NSWFCINMWWGJKW-RDBSUJKOSA-N 0 3 288.388 -1.113 20 0 CAADHN OC[C@@H]1CCN(C[C@@H](O)CC2(O)CCOCC2)C[C@@H]1O ZINC001473443435 892415987 /nfs/dbraw/zinc/41/59/87/892415987.db2.gz YBGGIWMFIDFPDV-AVGNSLFASA-N 0 3 289.372 -1.046 20 0 CAADHN NC(=O)C1(O)CCN(C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001473469054 892417910 /nfs/dbraw/zinc/41/79/10/892417910.db2.gz PMOYEASJPNHQKK-JQWIXIFHSA-N 0 3 288.344 -1.799 20 0 CAADHN COC(=O)CNC(=O)CCN[C@H]1CCO[C@H]1C(=O)OC ZINC001473628783 892421350 /nfs/dbraw/zinc/42/13/50/892421350.db2.gz FMJZOIBHMGPFJN-GZMMTYOYSA-N 0 3 288.300 -1.414 20 0 CAADHN NC(=O)C1(NC[C@H](O)C[C@]2(O)CCOC2)CCOCC1 ZINC001473624550 892421965 /nfs/dbraw/zinc/42/19/65/892421965.db2.gz BTKHLPQLTUMAQJ-ZYHUDNBSSA-N 0 3 288.344 -1.487 20 0 CAADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001473642290 892421987 /nfs/dbraw/zinc/42/19/87/892421987.db2.gz INKLYIWJGMDOMS-UTLUCORTSA-N 0 3 284.360 -1.240 20 0 CAADHN OCC1(O)CCN(C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001473626115 892423407 /nfs/dbraw/zinc/42/34/07/892423407.db2.gz ICMVITBZLBKMFM-AAEUAGOBSA-N 0 3 275.345 -1.292 20 0 CAADHN CC(C)N(C)C(=O)[C@@H](C)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001473642287 892423735 /nfs/dbraw/zinc/42/37/35/892423735.db2.gz INKLYIWJGMDOMS-BBBLOLIVSA-N 0 3 284.360 -1.240 20 0 CAADHN NC(=O)C1(NC[C@@H](O)C[C@@]2(O)CCOC2)CCOCC1 ZINC001473624548 892423786 /nfs/dbraw/zinc/42/37/86/892423786.db2.gz BTKHLPQLTUMAQJ-JQWIXIFHSA-N 0 3 288.344 -1.487 20 0 CAADHN CC(C)(O)[C@H](O)CN1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001473777801 892425581 /nfs/dbraw/zinc/42/55/81/892425581.db2.gz YNVSHLDFPRCEJO-VHSXEESVSA-N 0 3 280.390 -1.011 20 0 CAADHN COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](c2nnn[n-]2)C1 ZINC001473753298 892426110 /nfs/dbraw/zinc/42/61/10/892426110.db2.gz WGINCKSQZRZBNX-QWRGUYRKSA-N 0 3 284.364 -1.072 20 0 CAADHN COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](c2nnn[n-]2)C1 ZINC001473753298 892426116 /nfs/dbraw/zinc/42/61/16/892426116.db2.gz WGINCKSQZRZBNX-QWRGUYRKSA-N 0 3 284.364 -1.072 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001473777141 892426585 /nfs/dbraw/zinc/42/65/85/892426585.db2.gz XHCYSNXWFJPYIF-GUBZILKMSA-N 0 3 266.363 -1.401 20 0 CAADHN COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H](c2nnn[n-]2)C1 ZINC001473753297 892427355 /nfs/dbraw/zinc/42/73/55/892427355.db2.gz WGINCKSQZRZBNX-MNOVXSKESA-N 0 3 284.364 -1.072 20 0 CAADHN COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](c2nnn[n-]2)C1 ZINC001473753297 892427364 /nfs/dbraw/zinc/42/73/64/892427364.db2.gz WGINCKSQZRZBNX-MNOVXSKESA-N 0 3 284.364 -1.072 20 0 CAADHN O=C1NCC2(CCOCC2)[C@H]1NCCN1CCNC1=O ZINC001473830599 892427883 /nfs/dbraw/zinc/42/78/83/892427883.db2.gz CGBBDZNXIDRZGQ-JTQLQIEISA-N 0 3 282.344 -1.104 20 0 CAADHN OC[C@]12COCCN1CCN(C[C@]1(O)CCCOC1)C2 ZINC001473831859 892429977 /nfs/dbraw/zinc/42/99/77/892429977.db2.gz DTBJONALZTUQJH-ZIAGYGMSSA-N 0 3 286.372 -1.093 20 0 CAADHN CCNC(=O)CCN1CCN2CCOC[C@@]2(CO)C1 ZINC001473831877 892431937 /nfs/dbraw/zinc/43/19/37/892431937.db2.gz DUTPKXCKLWXAJY-ZDUSSCGKSA-N 0 3 271.361 -1.109 20 0 CAADHN OC[C@@]12COCCN1CCN(C[C@]1(O)CCCOC1)C2 ZINC001473831858 892432051 /nfs/dbraw/zinc/43/20/51/892432051.db2.gz DTBJONALZTUQJH-UONOGXRCSA-N 0 3 286.372 -1.093 20 0 CAADHN CCn1nccc1CN1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001474650753 892435857 /nfs/dbraw/zinc/43/58/57/892435857.db2.gz XTCJWRNIOQEOPP-UWVGGRQHSA-N 0 3 265.317 -1.078 20 0 CAADHN NC(=O)[C@H]1CN(Cc2cnc3n2CCC3)C[C@H]1C(N)=O ZINC001474650369 892436336 /nfs/dbraw/zinc/43/63/36/892436336.db2.gz SKJXHZJRTLNGEK-AOOOYVTPSA-N 0 3 277.328 -1.152 20 0 CAADHN COCCN(C)CCNC(=O)N1CC(S(N)(=O)=O)C1 ZINC001477739703 892454314 /nfs/dbraw/zinc/45/43/14/892454314.db2.gz WJPOEQIYFGJDDT-UHFFFAOYSA-N 0 3 294.377 -1.753 20 0 CAADHN COCCN(C)CCNC(=O)N[C@@H]1COC[C@H]1O ZINC001477738265 892455584 /nfs/dbraw/zinc/45/55/84/892455584.db2.gz LJQCQEYGLQLQGZ-NXEZZACHSA-N 0 3 261.322 -1.377 20 0 CAADHN COCCN1CC[C@@H](NC(=O)N[C@@H]2COC[C@H]2O)C1 ZINC001477995572 892458764 /nfs/dbraw/zinc/45/87/64/892458764.db2.gz QSSVGEDWZLKSIL-GMTAPVOTSA-N 0 3 273.333 -1.234 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H]1CCN(C[C@H](C)O)[C@@H]1C ZINC001479727970 892477427 /nfs/dbraw/zinc/47/74/27/892477427.db2.gz VMKIOOJWVMLHQL-AEJSXWLSSA-N 0 3 293.389 -1.505 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001479661399 892477537 /nfs/dbraw/zinc/47/75/37/892477537.db2.gz OQNPEKDKNAWJTL-NEPJUHHUSA-N 0 3 299.371 -1.457 20 0 CAADHN COCCN(CCO)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001479660037 892479339 /nfs/dbraw/zinc/47/93/39/892479339.db2.gz QBRYSQDGVUHIIB-JTQLQIEISA-N 0 3 273.333 -1.597 20 0 CAADHN C[C@@H]1CCN(C(=O)CCNC(N)=O)[C@H](CNCC(N)=O)C1 ZINC001479591387 892479707 /nfs/dbraw/zinc/47/97/07/892479707.db2.gz VKDXWTAOFBGEOR-ZJUUUORDSA-N 0 3 299.375 -1.253 20 0 CAADHN CN(CCCNC(=O)[C@@H]1CN(C)CCO1)[C@H]1CCNC1=O ZINC001479763554 892481870 /nfs/dbraw/zinc/48/18/70/892481870.db2.gz LSYSAKDSMDONGQ-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN Cc1nnc(CC(=O)NCCCN(C)[C@@H](C)C(N)=O)[nH]1 ZINC001479770438 892482320 /nfs/dbraw/zinc/48/23/20/892482320.db2.gz NGADRJLVAJVDRH-QMMMGPOBSA-N 0 3 282.348 -1.032 20 0 CAADHN CN(CCCNC(=O)[C@H]1CN(C)CCO1)[C@@H]1CCNC1=O ZINC001479763596 892482419 /nfs/dbraw/zinc/48/24/19/892482419.db2.gz LSYSAKDSMDONGQ-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CN(C)CCCNC(=O)CCc1cn[nH]n1 ZINC001479797519 892483036 /nfs/dbraw/zinc/48/30/36/892483036.db2.gz FWQZMUSOPNRARB-UHFFFAOYSA-N 0 3 282.348 -1.079 20 0 CAADHN CNC(=O)CN(C)CCCNC(=O)CCc1c[nH]nn1 ZINC001479797519 892483041 /nfs/dbraw/zinc/48/30/41/892483041.db2.gz FWQZMUSOPNRARB-UHFFFAOYSA-N 0 3 282.348 -1.079 20 0 CAADHN CN(CCCNC(=O)[C@@H]1CCC(=O)N1)[C@@H]1CCCNC1=O ZINC001479808111 892483066 /nfs/dbraw/zinc/48/30/66/892483066.db2.gz PYUQXYDYWSLDKD-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CCN(CCCNC(=O)C(N)=O)[C@H](C)C(=O)N(C)C ZINC001479853111 892485387 /nfs/dbraw/zinc/48/53/87/892485387.db2.gz BPRQZPREYDDEIQ-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CCN(CCCNC(=O)[C@H]1CNC(=O)N1)[C@H](C)C(N)=O ZINC001479852413 892485424 /nfs/dbraw/zinc/48/54/24/892485424.db2.gz HYUFNLSZXXQYCO-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN NC(=O)CC(=O)NCCCN1CCN(CCCO)CC1 ZINC001479916464 892486199 /nfs/dbraw/zinc/48/61/99/892486199.db2.gz IDUQLOOSWRMQMC-UHFFFAOYSA-N 0 3 286.376 -1.632 20 0 CAADHN CN1CC[C@H](N(CCCNC(=O)C(N)=O)C2CC2)C1=O ZINC001479875286 892486308 /nfs/dbraw/zinc/48/63/08/892486308.db2.gz SQWRMRLQXHBMGB-JTQLQIEISA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](CNC(=O)CCCS(C)(=O)=O)N[C@@H](C)C(N)=O ZINC001480555556 892535885 /nfs/dbraw/zinc/53/58/85/892535885.db2.gz WMUKHJNQVUFHKD-BDAKNGLRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)C(N)=O ZINC001479829366 892487483 /nfs/dbraw/zinc/48/74/83/892487483.db2.gz MRUKAEIHWNHMLC-JGVFFNPUSA-N 0 3 256.306 -1.684 20 0 CAADHN CCN(CCCNC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)C(N)=O ZINC001479860044 892487602 /nfs/dbraw/zinc/48/76/02/892487602.db2.gz PSZRONCIRBQWEB-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN COCCCCN1CCN(CCNC(=O)C(N)=O)CC1 ZINC001479937048 892489561 /nfs/dbraw/zinc/48/95/61/892489561.db2.gz ZSUZCZRWWLWNEF-UHFFFAOYSA-N 0 3 286.376 -1.368 20 0 CAADHN NC(=O)C(=O)NCCN1CCN(CC[C@@H]2CCCO2)CC1 ZINC001479936375 892490165 /nfs/dbraw/zinc/49/01/65/892490165.db2.gz CBPWWQGYGZNKPV-LBPRGKRZSA-N 0 3 298.387 -1.225 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](NCC(=O)N(C)C)C1CC1 ZINC001479999590 892493326 /nfs/dbraw/zinc/49/33/26/892493326.db2.gz LEVSSQPMRGUIMD-LLVKDONJSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001480018041 892493508 /nfs/dbraw/zinc/49/35/08/892493508.db2.gz NTTOQDMFQUQAKJ-DTWKUNHWSA-N 0 3 284.316 -1.675 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)CC1=O ZINC001480029655 892493965 /nfs/dbraw/zinc/49/39/65/892493965.db2.gz HQNWRINBQNVVDJ-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)c1ncn(C)n1)C1CC1)C(N)=O ZINC001480018740 892494253 /nfs/dbraw/zinc/49/42/53/892494253.db2.gz WHANAHFFMYGQNP-CBAPKCEASA-N 0 3 280.332 -1.213 20 0 CAADHN CC[C@]1(C(=O)NC[C@@H](NCC(N)=O)C2CC2)CCNC1=O ZINC001480029074 892495021 /nfs/dbraw/zinc/49/50/21/892495021.db2.gz ZKYQQDKOCCSAQF-YGRLFVJLSA-N 0 3 296.371 -1.128 20 0 CAADHN CC[C@]1(C(=O)NC[C@H](NCC(N)=O)C2CC2)CCNC1=O ZINC001480029061 892494873 /nfs/dbraw/zinc/49/48/73/892494873.db2.gz ZKYQQDKOCCSAQF-HZMBPMFUSA-N 0 3 296.371 -1.128 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](NCC(=O)N1CCCC1)C1CC1 ZINC001480011160 892495083 /nfs/dbraw/zinc/49/50/83/892495083.db2.gz UURCWMTYDFYSCF-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN CN1CC[C@H](N[C@@H](CNC(=O)CC(N)=O)C2CC2)C1=O ZINC001480009823 892495133 /nfs/dbraw/zinc/49/51/33/892495133.db2.gz DJPXUHQUZPBCIW-UWVGGRQHSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1ncn(C)n1)C1CC1 ZINC001480018865 892495251 /nfs/dbraw/zinc/49/52/51/892495251.db2.gz XEGXAPBQGWBSLB-SECBINFHSA-N 0 3 280.332 -1.341 20 0 CAADHN NC(=O)NC(=O)CN[C@@H](CNC(=O)c1ccon1)C1CC1 ZINC001480008133 892495332 /nfs/dbraw/zinc/49/53/32/892495332.db2.gz YTWHKPWGXUJJFB-VIFPVBQESA-N 0 3 295.299 -1.033 20 0 CAADHN CNC(=O)[C@H](C)N1CCC2(C[C@H]2NC(=O)CC(N)=O)CC1 ZINC001479977916 892495619 /nfs/dbraw/zinc/49/56/19/892495619.db2.gz IQWNMVDXLWCBRL-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@H](NCC(N)=O)C2CC2)CC1=O ZINC001480029656 892495662 /nfs/dbraw/zinc/49/56/62/892495662.db2.gz HQNWRINBQNVVDJ-QWRGUYRKSA-N 0 3 296.371 -1.176 20 0 CAADHN NC(=O)NC(=O)CN[C@H](CNC(=O)c1ccon1)C1CC1 ZINC001480008132 892495863 /nfs/dbraw/zinc/49/58/63/892495863.db2.gz YTWHKPWGXUJJFB-SECBINFHSA-N 0 3 295.299 -1.033 20 0 CAADHN CS(=O)(=O)CC(=O)NC[C@@H](NCC(N)=O)C1CC1 ZINC001480006580 892495891 /nfs/dbraw/zinc/49/58/91/892495891.db2.gz NTPGQROWIMFMQO-MRVPVSSYSA-N 0 3 277.346 -1.999 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)C(=O)NCC1CC1)C1CC1)C(N)=O ZINC001480054925 892496944 /nfs/dbraw/zinc/49/69/44/892496944.db2.gz GREGLQDBSVSZMY-LDYMZIIASA-N 0 3 296.371 -1.129 20 0 CAADHN NC(=O)C[NH2+][C@H](CNC(=O)Cc1nnc[n-]1)C1CC1 ZINC001480055611 892497047 /nfs/dbraw/zinc/49/70/47/892497047.db2.gz CBXKDGRTJUFYOS-MRVPVSSYSA-N 0 3 266.305 -1.683 20 0 CAADHN CC[C@@H](C)NC(=O)CN[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001480045311 892497120 /nfs/dbraw/zinc/49/71/20/892497120.db2.gz VNPYWCMYVVURDO-PSASIEDQSA-N 0 3 284.360 -1.129 20 0 CAADHN CN(C)C(=O)CN[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001480046842 892497314 /nfs/dbraw/zinc/49/73/14/892497314.db2.gz HYNXEOHXOQOXJV-OUAUKWLOSA-N 0 3 296.371 -1.320 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2ncnn2)C1)C(=O)N(C)C ZINC001480110085 892497534 /nfs/dbraw/zinc/49/75/34/892497534.db2.gz YJVZYGFISAHVEP-UWVGGRQHSA-N 0 3 295.347 -1.660 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)C1CC1 ZINC001480068956 892497608 /nfs/dbraw/zinc/49/76/08/892497608.db2.gz VOPKOKUQQKEILU-BDAKNGLRSA-N 0 3 296.327 -1.991 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001480109178 892497684 /nfs/dbraw/zinc/49/76/84/892497684.db2.gz PUAKBRBSKNGDAO-QMMMGPOBSA-N 0 3 266.305 -1.635 20 0 CAADHN C[C@]1(C(=O)NC[C@H](NCC(N)=O)C2CC2)CCC(=O)NC1 ZINC001480039768 892497851 /nfs/dbraw/zinc/49/78/51/892497851.db2.gz BDEUZOLBQMVOKV-HZMBPMFUSA-N 0 3 296.371 -1.128 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001480042723 892498103 /nfs/dbraw/zinc/49/81/03/892498103.db2.gz JKSHCTWEEQEWAO-SECBINFHSA-N 0 3 293.327 -1.386 20 0 CAADHN CCOCC(=O)N1CC[C@H](NCCNS(C)(=O)=O)C1 ZINC001480104985 892498235 /nfs/dbraw/zinc/49/82/35/892498235.db2.gz STFLPDXXHWVBAQ-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001480105920 892498335 /nfs/dbraw/zinc/49/83/35/892498335.db2.gz ZBXSTNSGWSUHDQ-JTQLQIEISA-N 0 3 282.344 -1.551 20 0 CAADHN NC(=O)Cn1cc(C(=O)NC[C@@H](NCCF)C2CC2)nn1 ZINC001480066980 892498570 /nfs/dbraw/zinc/49/85/70/892498570.db2.gz UGJLGCLARCMQQD-SECBINFHSA-N 0 3 298.322 -1.169 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001480039280 892498778 /nfs/dbraw/zinc/49/87/78/892498778.db2.gz ZSIPLQIUWPXSCW-VHSXEESVSA-N 0 3 282.344 -1.647 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C2(C(=O)NC)CC2)C1 ZINC001480118333 892500902 /nfs/dbraw/zinc/50/09/02/892500902.db2.gz RVQUXFNWRFPBQY-VIFPVBQESA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001480118492 892500549 /nfs/dbraw/zinc/50/05/49/892500549.db2.gz FGVCOOKWOKWHRB-ZETCQYMHSA-N 0 3 252.278 -1.645 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CCNC(N)=O)C1)C(=O)N(C)C ZINC001480121219 892500769 /nfs/dbraw/zinc/50/07/69/892500769.db2.gz KEJUSRKINIAZRH-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)CC(N)=O)C1 ZINC001480133172 892501582 /nfs/dbraw/zinc/50/15/82/892501582.db2.gz SYIVMXYBOQBXMT-ZKCHVHJHSA-N 0 3 266.305 -1.573 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)CCNC(N)=O)C1 ZINC001480170730 892504688 /nfs/dbraw/zinc/50/46/88/892504688.db2.gz PEOXNGSHYUMHHV-KYZUINATSA-N 0 3 295.347 -1.390 20 0 CAADHN NC(=O)C(=O)N[C@H]1C[C@@H](NCC(=O)Nc2nccs2)C1 ZINC001480221084 892506913 /nfs/dbraw/zinc/50/69/13/892506913.db2.gz USILAZWYCPIROJ-KNVOCYPGSA-N 0 3 297.340 -1.196 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001480415492 892510075 /nfs/dbraw/zinc/51/00/75/892510075.db2.gz HKAODZNPAQNZPM-APPZFPTMSA-N 0 3 256.306 -1.895 20 0 CAADHN CO[C@H](C)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001480389553 892510228 /nfs/dbraw/zinc/51/02/28/892510228.db2.gz CCHSOWSDXOUVEI-RWHSBRQSSA-N 0 3 295.339 -1.127 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001480393391 892510603 /nfs/dbraw/zinc/51/06/03/892510603.db2.gz JIADUBHUALCRCW-GPTQDWHKSA-N 0 3 294.355 -1.567 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)CNC(=O)C1CC1 ZINC001480413693 892511444 /nfs/dbraw/zinc/51/14/44/892511444.db2.gz OZCOZTGCXSHKSH-SSDOTTSWSA-N 0 3 256.306 -1.054 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001480393392 892511701 /nfs/dbraw/zinc/51/17/01/892511701.db2.gz JIADUBHUALCRCW-RWHSBRQSSA-N 0 3 294.355 -1.567 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H](C)NC(N)=O ZINC001480344131 892512086 /nfs/dbraw/zinc/51/20/86/892512086.db2.gz HAKDRDOEHIVQCM-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001480417456 892513548 /nfs/dbraw/zinc/51/35/48/892513548.db2.gz WGZMPRLETDDIEH-VXNVDRBHSA-N 0 3 284.316 -1.978 20 0 CAADHN C[C@H](CNC(=O)C1=COCCO1)N[C@@H]1CCNC1=O ZINC001480421589 892513830 /nfs/dbraw/zinc/51/38/30/892513830.db2.gz VDMSKLLHVIMXCY-RKDXNWHRSA-N 0 3 269.301 -1.143 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)NCc1ccnn1C ZINC001480423025 892513870 /nfs/dbraw/zinc/51/38/70/892513870.db2.gz WZGSIUSAODBHHB-VIFPVBQESA-N 0 3 278.320 -1.299 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)Cn1cccn1 ZINC001480423513 892513888 /nfs/dbraw/zinc/51/38/88/892513888.db2.gz GQGAHPJIMMVNHA-SECBINFHSA-N 0 3 253.306 -1.277 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CN(C)C(C)=O)C(N)=O ZINC001480428218 892513943 /nfs/dbraw/zinc/51/39/43/892513943.db2.gz CGPWIAOERRWMMV-WCBMZHEXSA-N 0 3 272.349 -1.177 20 0 CAADHN CCN1CC[C@H](N[C@@H](C)CNC(=O)CC(N)=O)C1=O ZINC001480437555 892514175 /nfs/dbraw/zinc/51/41/75/892514175.db2.gz BCSJKCIAYZDVBC-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001480415501 892514271 /nfs/dbraw/zinc/51/42/71/892514271.db2.gz HKAODZNPAQNZPM-IONNQARKSA-N 0 3 256.306 -1.895 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)NCC(=O)N(C)C ZINC001480421861 892514496 /nfs/dbraw/zinc/51/44/96/892514496.db2.gz OASCMYRZESJLFO-QMMMGPOBSA-N 0 3 269.309 -2.144 20 0 CAADHN CCNC(=O)CCC(=O)NC[C@@H](C)NCC(=O)NC ZINC001480430946 892514518 /nfs/dbraw/zinc/51/45/18/892514518.db2.gz BVCLBNVKADEKEF-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](C)NCC(=O)NC ZINC001480436138 892514649 /nfs/dbraw/zinc/51/46/49/892514649.db2.gz ODARZIHURLZNSF-MRVPVSSYSA-N 0 3 258.322 -1.647 20 0 CAADHN Cc1cnn(CC(=O)NC[C@H](C)NCC(N)=O)c1 ZINC001480431369 892514772 /nfs/dbraw/zinc/51/47/72/892514772.db2.gz AMKHHXNIWNLADM-VIFPVBQESA-N 0 3 253.306 -1.229 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001480415498 892515289 /nfs/dbraw/zinc/51/52/89/892515289.db2.gz HKAODZNPAQNZPM-CBAPKCEASA-N 0 3 256.306 -1.895 20 0 CAADHN C[C@H](CNC(=O)CS(C)(=O)=O)N[C@@H](C)C(=O)N(C)C ZINC001480431743 892515333 /nfs/dbraw/zinc/51/53/33/892515333.db2.gz COKTYDSVDYKXSY-BDAKNGLRSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@@H](CNC(=O)C1=COCCO1)N[C@@H]1CCNC1=O ZINC001480421587 892515711 /nfs/dbraw/zinc/51/57/11/892515711.db2.gz VDMSKLLHVIMXCY-DTWKUNHWSA-N 0 3 269.301 -1.143 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1)N[C@@H]1CCC(=O)NC1=O ZINC001480422201 892515733 /nfs/dbraw/zinc/51/57/33/892515733.db2.gz QECJOKDNXSPXDN-WCBMZHEXSA-N 0 3 293.327 -1.067 20 0 CAADHN C[C@H](CNC(=O)Cn1cccn1)N[C@H]1CCC(=O)NC1=O ZINC001480424304 892516037 /nfs/dbraw/zinc/51/60/37/892516037.db2.gz XZUDFAQUSDGCLO-ZJUUUORDSA-N 0 3 293.327 -1.217 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@@H](C)OC ZINC001480434781 892516058 /nfs/dbraw/zinc/51/60/58/892516058.db2.gz YVTPOEADNJDXQP-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CNC(C)=O ZINC001480415737 892516151 /nfs/dbraw/zinc/51/61/51/892516151.db2.gz IQGCZHLMSCLHOY-YUMQZZPRSA-N 0 3 258.322 -1.649 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)c1cnn(C)c1N)C(N)=O ZINC001480447444 892517076 /nfs/dbraw/zinc/51/70/76/892517076.db2.gz GASACGRXGPFTSK-IONNQARKSA-N 0 3 282.348 -1.026 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CN1CCOCC1)C(N)=O ZINC001480448041 892517361 /nfs/dbraw/zinc/51/73/61/892517361.db2.gz OIKVQKYBLYQJBO-QWRGUYRKSA-N 0 3 286.376 -1.323 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)c1cn(C)nn1)C(N)=O ZINC001480453194 892517778 /nfs/dbraw/zinc/51/77/78/892517778.db2.gz APTJUGOWVZZUFZ-JGVFFNPUSA-N 0 3 268.321 -1.213 20 0 CAADHN CCn1ncc(C(=O)NC[C@H](C)N[C@H]2CCNC2=O)n1 ZINC001480457027 892517880 /nfs/dbraw/zinc/51/78/80/892517880.db2.gz VZMALVHERTZTIP-IUCAKERBSA-N 0 3 280.332 -1.106 20 0 CAADHN CC[C@H](N[C@H](C)CNC(=O)CN1CCOCC1)C(N)=O ZINC001480448039 892518218 /nfs/dbraw/zinc/51/82/18/892518218.db2.gz OIKVQKYBLYQJBO-MNOVXSKESA-N 0 3 286.376 -1.323 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](C)N[C@H]2CCN(C)C2=O)C1 ZINC001480452841 892518437 /nfs/dbraw/zinc/51/84/37/892518437.db2.gz QAHZCHYOJHVNRF-CABZTGNLSA-N 0 3 296.371 -1.210 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)c1cnn(C)c1N)C(N)=O ZINC001480447443 892518518 /nfs/dbraw/zinc/51/85/18/892518518.db2.gz GASACGRXGPFTSK-CBAPKCEASA-N 0 3 282.348 -1.026 20 0 CAADHN C[C@H](CNC(=O)c1ncc[nH]1)NCCNS(C)(=O)=O ZINC001480456835 892518573 /nfs/dbraw/zinc/51/85/73/892518573.db2.gz CWNDIOLNHAXZKD-MRVPVSSYSA-N 0 3 289.361 -1.333 20 0 CAADHN C[C@@H](CNC(=O)c1ncn(C)n1)NCCS(C)(=O)=O ZINC001480455542 892518680 /nfs/dbraw/zinc/51/86/80/892518680.db2.gz CMAXOIKDRODFSE-QMMMGPOBSA-N 0 3 289.361 -1.432 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)CN1CCOCC1)C(N)=O ZINC001480448038 892518892 /nfs/dbraw/zinc/51/88/92/892518892.db2.gz OIKVQKYBLYQJBO-GHMZBOCLSA-N 0 3 286.376 -1.323 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001480445370 892519066 /nfs/dbraw/zinc/51/90/66/892519066.db2.gz DBYKBFGUUPDAAK-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1COC(=O)N1 ZINC001480454453 892519235 /nfs/dbraw/zinc/51/92/35/892519235.db2.gz SYFWSBGNJUXOMX-RKDXNWHRSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@H](CNC(=O)c1cnnn1C)N[C@@H]1CCN(C)C1=O ZINC001480453431 892519283 /nfs/dbraw/zinc/51/92/83/892519283.db2.gz LTAQCFIWOKALMY-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@@H](CNC(=O)c1cnnn1C)N[C@H]1CCN(C)C1=O ZINC001480453430 892520051 /nfs/dbraw/zinc/52/00/51/892520051.db2.gz LTAQCFIWOKALMY-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN C[C@H](CNC(=O)C1CS(=O)(=O)C1)N[C@H]1CCNC1=O ZINC001480466104 892521238 /nfs/dbraw/zinc/52/12/38/892521238.db2.gz NNMYHWRIKUUXKQ-APPZFPTMSA-N 0 3 289.357 -1.986 20 0 CAADHN C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccoc1)NCC(N)=O ZINC001480465121 892521595 /nfs/dbraw/zinc/52/15/95/892521595.db2.gz DYKYNOJCFOCJRD-BDAKNGLRSA-N 0 3 296.327 -1.023 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cn2c(n1)COCC2)C(N)=O ZINC001480487270 892521646 /nfs/dbraw/zinc/52/16/46/892521646.db2.gz UIYMYZOKQLTLJW-DTWKUNHWSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCNC1=O)NCC(N)=O ZINC001480481312 892521658 /nfs/dbraw/zinc/52/16/58/892521658.db2.gz LMMASNLJFFHFBX-HTQZYQBOSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](CNC(=O)c1ccc2n[nH]nc2n1)N[C@H](C)C(N)=O ZINC001480472969 892521691 /nfs/dbraw/zinc/52/16/91/892521691.db2.gz NBCFVRDZQGQBLP-RNFRBKRXSA-N 0 3 291.315 -1.065 20 0 CAADHN C[C@@H](CNC(=O)c1cnc2n1CCOC2)NCC(N)=O ZINC001480481530 892521786 /nfs/dbraw/zinc/52/17/86/892521786.db2.gz MPVFXDDIQRZKGD-QMMMGPOBSA-N 0 3 281.316 -1.394 20 0 CAADHN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)NCCF ZINC001480471105 892521937 /nfs/dbraw/zinc/52/19/37/892521937.db2.gz ZLUYDLZPUHCFTI-MRVPVSSYSA-N 0 3 269.342 -1.058 20 0 CAADHN C[C@H](CNC(=O)c1ccc2n[nH]nc2n1)N[C@@H](C)C(N)=O ZINC001480472970 892522092 /nfs/dbraw/zinc/52/20/92/892522092.db2.gz NBCFVRDZQGQBLP-RQJHMYQMSA-N 0 3 291.315 -1.065 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](C)N[C@@H]1CCN(C)C1=O ZINC001480471204 892522109 /nfs/dbraw/zinc/52/21/09/892522109.db2.gz BPTSQPGOKSWDTD-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cc2n(n1)CCO2)C(N)=O ZINC001480477815 892522573 /nfs/dbraw/zinc/52/25/73/892522573.db2.gz UGSLCZWWQJGNCB-JGVFFNPUSA-N 0 3 281.316 -1.143 20 0 CAADHN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N[C@@H](C)C(N)=O ZINC001480481127 892522777 /nfs/dbraw/zinc/52/27/77/892522777.db2.gz VJKQBXXDZSGUCJ-YUMQZZPRSA-N 0 3 281.316 -1.638 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(=O)N(C)C ZINC001480522577 892524856 /nfs/dbraw/zinc/52/48/56/892524856.db2.gz XZKDWMJYJVLRAT-UWVGGRQHSA-N 0 3 284.360 -1.210 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC(N)=O ZINC001480506097 892525183 /nfs/dbraw/zinc/52/51/83/892525183.db2.gz PLYNVQXABKVBNL-FNBULKLFSA-N 0 3 267.329 -1.011 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)NCC(=O)NC(C)(C)C ZINC001480519078 892526197 /nfs/dbraw/zinc/52/61/97/892526197.db2.gz URZHZYNSCBCJSC-QMMMGPOBSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@H](CNC(=O)Cn1ncn(C)c1=O)N[C@H]1CCNC1=O ZINC001480491963 892526387 /nfs/dbraw/zinc/52/63/87/892526387.db2.gz YJCNKDCIYPWSHZ-BDAKNGLRSA-N 0 3 296.331 -2.435 20 0 CAADHN C[C@@H](CNC(=O)c1cn2cccnc2n1)NCC(N)=O ZINC001480494747 892526427 /nfs/dbraw/zinc/52/64/27/892526427.db2.gz GVKASOLESOYSHP-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN Cc1n[nH]c(=O)c(C(=O)NC[C@H](C)NCC(N)=O)c1C ZINC001480513990 892526723 /nfs/dbraw/zinc/52/67/23/892526723.db2.gz AERJKFJWJAHOGM-LURJTMIESA-N 0 3 281.316 -1.008 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001480525048 892526799 /nfs/dbraw/zinc/52/67/99/892526799.db2.gz XZWFDAJAJMYRSF-SSDOTTSWSA-N 0 3 267.289 -1.776 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001480519283 892526816 /nfs/dbraw/zinc/52/68/16/892526816.db2.gz UKXFTALLFBYMOV-UWVGGRQHSA-N 0 3 299.375 -1.371 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001480525056 892526924 /nfs/dbraw/zinc/52/69/24/892526924.db2.gz XZWFDAJAJMYRSF-ZETCQYMHSA-N 0 3 267.289 -1.776 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)NCC(N)=O ZINC001480506096 892527772 /nfs/dbraw/zinc/52/77/72/892527772.db2.gz PLYNVQXABKVBNL-DWOGUGJQSA-N 0 3 267.329 -1.011 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)C1(C(N)=O)CC1 ZINC001480526059 892528744 /nfs/dbraw/zinc/52/87/44/892528744.db2.gz BHPOSMQIZQATMY-ZETCQYMHSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](CNC(=O)CNS(=O)(=O)N(C)C)NCC(N)=O ZINC001480543448 892529918 /nfs/dbraw/zinc/52/99/18/892529918.db2.gz KLVSYKVLVUYGEW-SSDOTTSWSA-N 0 3 295.365 -3.038 20 0 CAADHN C[C@H](CNC(=O)c1cccc(=O)n1C)N[C@H]1CCNC1=O ZINC001480533654 892531025 /nfs/dbraw/zinc/53/10/25/892531025.db2.gz MNLJEACFAWAWOF-ZJUUUORDSA-N 0 3 292.339 -1.018 20 0 CAADHN C[C@@H](CNC(=O)c1cccc(=O)n1C)N[C@H]1CCNC1=O ZINC001480533652 892531098 /nfs/dbraw/zinc/53/10/98/892531098.db2.gz MNLJEACFAWAWOF-UWVGGRQHSA-N 0 3 292.339 -1.018 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1c[nH]c(=O)cn1 ZINC001480527755 892531426 /nfs/dbraw/zinc/53/14/26/892531426.db2.gz RKKJPGAKDAZYGF-JGVFFNPUSA-N 0 3 281.316 -1.388 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](C)N[C@H]2CCNC2=O)CC1 ZINC001480553093 892531634 /nfs/dbraw/zinc/53/16/34/892531634.db2.gz HSOAPNDPTNMFBD-BDAKNGLRSA-N 0 3 282.344 -1.505 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](C)N[C@@H]2CCNC2=O)CC1 ZINC001480553097 892532586 /nfs/dbraw/zinc/53/25/86/892532586.db2.gz HSOAPNDPTNMFBD-RKDXNWHRSA-N 0 3 282.344 -1.505 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cnn(C)n1 ZINC001480556302 892532935 /nfs/dbraw/zinc/53/29/35/892532935.db2.gz ZXMSFKOQBQWSDR-JGVFFNPUSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)CCCS(C)(=O)=O)C(N)=O ZINC001480555557 892533044 /nfs/dbraw/zinc/53/30/44/892533044.db2.gz WMUKHJNQVUFHKD-DTWKUNHWSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@H](CNC(=O)CCCS(C)(=O)=O)N[C@H](C)C(N)=O ZINC001480555559 892533294 /nfs/dbraw/zinc/53/32/94/892533294.db2.gz WMUKHJNQVUFHKD-RKDXNWHRSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H](CNC(=O)c1cccn(C)c1=O)N[C@H]1CCNC1=O ZINC001480573555 892533600 /nfs/dbraw/zinc/53/36/00/892533600.db2.gz MTOGHKDDSXMUMS-ONGXEEELSA-N 0 3 292.339 -1.018 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](C)N[C@H](C)C(N)=O ZINC001480595532 892533874 /nfs/dbraw/zinc/53/38/74/892533874.db2.gz BZTGSRPRGXTOCS-JGVFFNPUSA-N 0 3 279.362 -1.611 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cnn(C)n1 ZINC001480556304 892533893 /nfs/dbraw/zinc/53/38/93/892533893.db2.gz ZXMSFKOQBQWSDR-YUMQZZPRSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)N[C@H]1CCCNC1=O ZINC001480554736 892534045 /nfs/dbraw/zinc/53/40/45/892534045.db2.gz RBFMDFLGXPPOEG-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)Cn1cncn1 ZINC001480585396 892534096 /nfs/dbraw/zinc/53/40/96/892534096.db2.gz JHNWQCBWJRVCTQ-SECBINFHSA-N 0 3 268.321 -1.492 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)N[C@@H]1CCCNC1=O ZINC001480554735 892534172 /nfs/dbraw/zinc/53/41/72/892534172.db2.gz RBFMDFLGXPPOEG-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CCn1cnnn1)C(N)=O ZINC001480559751 892534480 /nfs/dbraw/zinc/53/44/80/892534480.db2.gz PWULPMAFOWGFDQ-IUCAKERBSA-N 0 3 283.336 -1.579 20 0 CAADHN C[C@@H](CNC(=O)CCN1CCCC1=O)N[C@@H](C)C(N)=O ZINC001480592954 892534582 /nfs/dbraw/zinc/53/45/82/892534582.db2.gz NDMJTJMUEMJYHS-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)Cn1cncn1 ZINC001480585397 892534946 /nfs/dbraw/zinc/53/49/46/892534946.db2.gz JHNWQCBWJRVCTQ-VIFPVBQESA-N 0 3 268.321 -1.492 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1ccncn1)C(=O)NC(N)=O ZINC001480555976 892535648 /nfs/dbraw/zinc/53/56/48/892535648.db2.gz IYBACCQFLBKVCY-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N[C@@H]1CCCNC1=O ZINC001480554738 892535746 /nfs/dbraw/zinc/53/57/46/892535746.db2.gz RBFMDFLGXPPOEG-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@@H](N[C@@H](C)CNC(=O)CCn1cnnn1)C(N)=O ZINC001480559750 892535921 /nfs/dbraw/zinc/53/59/21/892535921.db2.gz PWULPMAFOWGFDQ-DTWKUNHWSA-N 0 3 283.336 -1.579 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](C)N[C@H]2CCNC2=O)nn1 ZINC001480563808 892535939 /nfs/dbraw/zinc/53/59/39/892535939.db2.gz KHQIVAIOLQXKAO-BDAKNGLRSA-N 0 3 280.332 -1.106 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001480611425 892537155 /nfs/dbraw/zinc/53/71/55/892537155.db2.gz QEGWIVOIPAQQAX-ZETCQYMHSA-N 0 3 280.288 -1.591 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@H](NCCF)C1 ZINC001480624266 892537248 /nfs/dbraw/zinc/53/72/48/892537248.db2.gz AJGFVKSPQHQQJH-QMMMGPOBSA-N 0 3 267.326 -1.304 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cn(C)c(=O)n1C ZINC001480599255 892538047 /nfs/dbraw/zinc/53/80/47/892538047.db2.gz DDOGLYSRSRWXNU-QMMMGPOBSA-N 0 3 283.332 -1.822 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001480611289 892538966 /nfs/dbraw/zinc/53/89/66/892538966.db2.gz FPZDMCZCHIXXNK-JTQLQIEISA-N 0 3 298.343 -1.235 20 0 CAADHN NC(=O)C[NH2+]C[C@H]1CCN(C(=O)c2cn[n-]n2)C1 ZINC001480654173 892540793 /nfs/dbraw/zinc/54/07/93/892540793.db2.gz QTRHPORDPUBOLJ-SSDOTTSWSA-N 0 3 252.278 -1.658 20 0 CAADHN NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001480667806 892541583 /nfs/dbraw/zinc/54/15/83/892541583.db2.gz DPBBNINYDVUPOV-ZETCQYMHSA-N 0 3 252.278 -1.658 20 0 CAADHN C[C@@H](CCNC(=O)Cc1nnc[n-]1)[NH2+][C@@H](C)C(N)=O ZINC001480802226 892543625 /nfs/dbraw/zinc/54/36/25/892543625.db2.gz LQSSVQZYEVJGNF-YUMQZZPRSA-N 0 3 268.321 -1.295 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)c1cc[n+]([O-])cc1 ZINC001480838475 892544177 /nfs/dbraw/zinc/54/41/77/892544177.db2.gz NXAIBQFEYKIISE-GFCCVEGCSA-N 0 3 283.328 -1.011 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1nnc[n-]1 ZINC001480802632 892544511 /nfs/dbraw/zinc/54/45/11/892544511.db2.gz XOGNABKZUHOLSL-DTWKUNHWSA-N 0 3 282.348 -1.034 20 0 CAADHN CNC(=O)[C@H](C)[NH2+][C@H](C)CCNC(=O)Cc1nnc[n-]1 ZINC001480802631 892545060 /nfs/dbraw/zinc/54/50/60/892545060.db2.gz XOGNABKZUHOLSL-BDAKNGLRSA-N 0 3 282.348 -1.034 20 0 CAADHN CC(=O)NCC(=O)NCCN(C)C[C@H]1CCc2ncnn21 ZINC001480837309 892545173 /nfs/dbraw/zinc/54/51/73/892545173.db2.gz WSDOXTOAYCYQAV-LLVKDONJSA-N 0 3 294.359 -1.051 20 0 CAADHN CC(=O)NCC(=O)NCCN(C)C[C@@H]1CCc2ncnn21 ZINC001480837310 892545928 /nfs/dbraw/zinc/54/59/28/892545928.db2.gz WSDOXTOAYCYQAV-NSHDSACASA-N 0 3 294.359 -1.051 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)CN1CCCC1=O ZINC001480840449 892548780 /nfs/dbraw/zinc/54/87/80/892548780.db2.gz VLVUULXFHXTXDT-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN CNC(=O)NCCC(=O)NCCN(C)C[C@H](C)O ZINC001480860885 892550431 /nfs/dbraw/zinc/55/04/31/892550431.db2.gz WKHKODWPBYOHKP-VIFPVBQESA-N 0 3 260.338 -1.266 20 0 CAADHN CCOCCN(C)CCNC(=O)CNC(=O)NC ZINC001480872128 892553193 /nfs/dbraw/zinc/55/31/93/892553193.db2.gz WLTPZEFYLPOTNP-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN COC[C@@H](C)N(C)CCNC(=O)CN(C)S(C)(=O)=O ZINC001480870381 892555979 /nfs/dbraw/zinc/55/59/79/892555979.db2.gz MJFHVUGVEIFZHO-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN C[C@@H](O)CN(C)CCNC(=O)CN1CCCNC1=O ZINC001480885713 892555901 /nfs/dbraw/zinc/55/59/01/892555901.db2.gz FFOMLSZCTUWGJC-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN CN(CCCN1C(=O)CNC1=O)CCNC(=O)C(N)=O ZINC001480912663 892558193 /nfs/dbraw/zinc/55/81/93/892558193.db2.gz WNWQWEQSQWXUFC-UHFFFAOYSA-N 0 3 285.304 -2.538 20 0 CAADHN CCC[C@@H](C(=O)N(C)CCNCC(N)=O)S(N)(=O)=O ZINC001481260681 892590312 /nfs/dbraw/zinc/59/03/12/892590312.db2.gz WGUKFVAJRGQMPS-QMMMGPOBSA-N 0 3 294.377 -2.023 20 0 CAADHN CN(CCNC(=O)[C@H]1CNC(=O)N1)CCOCC(F)F ZINC001480906004 892559240 /nfs/dbraw/zinc/55/92/40/892559240.db2.gz HSPMAJNGUVCEBS-MRVPVSSYSA-N 0 3 294.302 -1.003 20 0 CAADHN CN(CCCO)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001480899104 892560247 /nfs/dbraw/zinc/56/02/47/892560247.db2.gz IJZQRCOZCDUMHI-NXEZZACHSA-N 0 3 257.334 -1.072 20 0 CAADHN CN(CCNC(=O)Cc1cnc[nH]1)[C@H]1CCNC1=O ZINC001480916808 892561266 /nfs/dbraw/zinc/56/12/66/892561266.db2.gz ZGNCXCQLOHBTDH-JTQLQIEISA-N 0 3 265.317 -1.111 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)Cn1ccccc1=O ZINC001480945261 892561452 /nfs/dbraw/zinc/56/14/52/892561452.db2.gz PNCVELMGGUHXJC-GFCCVEGCSA-N 0 3 297.355 -1.096 20 0 CAADHN CN(CCCO)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001480947703 892561604 /nfs/dbraw/zinc/56/16/04/892561604.db2.gz FYCXNRVMXARADL-VIFPVBQESA-N 0 3 279.362 -1.892 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001480947500 892562394 /nfs/dbraw/zinc/56/23/94/892562394.db2.gz XJIXTUBSHVVZTI-JTQLQIEISA-N 0 3 298.343 -1.218 20 0 CAADHN CN(CCCO)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001480947702 892564902 /nfs/dbraw/zinc/56/49/02/892564902.db2.gz FYCXNRVMXARADL-SECBINFHSA-N 0 3 279.362 -1.892 20 0 CAADHN CC[C@H](CNC(=O)COC)NCC(=O)NC(N)=O ZINC001481780565 892623559 /nfs/dbraw/zinc/62/35/59/892623559.db2.gz IRFOQVWNZHANMM-SSDOTTSWSA-N 0 3 260.294 -1.688 20 0 CAADHN CN1CC(=O)N(CC(=O)NC[C@@H]2CCCN2CCO)C1=O ZINC001481068680 892572790 /nfs/dbraw/zinc/57/27/90/892572790.db2.gz QRNXKHHKJZSSBY-JTQLQIEISA-N 0 3 298.343 -1.547 20 0 CAADHN CC(C)N1CC[C@@H](N2CC[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001481108332 892577435 /nfs/dbraw/zinc/57/74/35/892577435.db2.gz UUOQAHZGZCCEST-WDEREUQCSA-N 0 3 296.371 -1.081 20 0 CAADHN NC(=O)CN1CC[C@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001481120207 892577664 /nfs/dbraw/zinc/57/76/64/892577664.db2.gz ZLYAVUSLHRKFHR-MRVPVSSYSA-N 0 3 266.305 -1.729 20 0 CAADHN NC(=O)CN1CC[C@@H](CNC(=O)Cc2nnc[nH]2)C1 ZINC001481120208 892578940 /nfs/dbraw/zinc/57/89/40/892578940.db2.gz ZLYAVUSLHRKFHR-QMMMGPOBSA-N 0 3 266.305 -1.729 20 0 CAADHN CC(C)N1CC[C@H](N2CC[C@@H](CNC(=O)C(N)=O)C2)C1=O ZINC001481108331 892580528 /nfs/dbraw/zinc/58/05/28/892580528.db2.gz UUOQAHZGZCCEST-QWRGUYRKSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)CCNCC(=O)N1CCC1 ZINC001481208470 892581306 /nfs/dbraw/zinc/58/13/06/892581306.db2.gz LIKRCQWBLDULCT-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN COC(=O)NCC(=O)N(C)CCN[C@H]1CCNC1=O ZINC001481211383 892581698 /nfs/dbraw/zinc/58/16/98/892581698.db2.gz VIDZUEPSOAUCHH-QMMMGPOBSA-N 0 3 272.305 -1.721 20 0 CAADHN CCOCC(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O ZINC001481204615 892581933 /nfs/dbraw/zinc/58/19/33/892581933.db2.gz BZVHUYPQYHLLDD-QMMMGPOBSA-N 0 3 274.321 -1.346 20 0 CAADHN CCN(CC)C(=O)CNCCN(C)C(=O)Cn1cnnn1 ZINC001481206854 892581964 /nfs/dbraw/zinc/58/19/64/892581964.db2.gz BLSMMXILUBMVIO-UHFFFAOYSA-N 0 3 297.363 -1.411 20 0 CAADHN C[C@H](C(=O)N(C)CCNCC(=O)NC(N)=O)n1cccn1 ZINC001481208639 892582260 /nfs/dbraw/zinc/58/22/60/892582260.db2.gz FOMHQNMDRQNZHW-SECBINFHSA-N 0 3 296.331 -1.313 20 0 CAADHN COCCN(CCNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001481182454 892582294 /nfs/dbraw/zinc/58/22/94/892582294.db2.gz DHHQMVSGQFDLNP-SNVBAGLBSA-N 0 3 270.333 -1.105 20 0 CAADHN CCOCC(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O ZINC001481204614 892582350 /nfs/dbraw/zinc/58/23/50/892582350.db2.gz BZVHUYPQYHLLDD-MRVPVSSYSA-N 0 3 274.321 -1.346 20 0 CAADHN CO[C@@H](C)C(=O)N(C)CCNCC(=O)N1CCOCC1 ZINC001481211117 892582372 /nfs/dbraw/zinc/58/23/72/892582372.db2.gz BXWXEUMQJWKHQZ-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1cccn1)C(=O)NC(N)=O ZINC001481206370 892582380 /nfs/dbraw/zinc/58/23/80/892582380.db2.gz VXNQAUJFYQNRNK-VIFPVBQESA-N 0 3 296.331 -1.486 20 0 CAADHN COCC(=O)N(C)CCNCC(=O)NC[C@H]1CCCO1 ZINC001481199997 892582398 /nfs/dbraw/zinc/58/23/98/892582398.db2.gz YBBJLJDTXUVNKQ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)C1=COCCC1 ZINC001481212619 892582458 /nfs/dbraw/zinc/58/24/58/892582458.db2.gz OGBKTPKUACRESZ-UHFFFAOYSA-N 0 3 284.316 -1.076 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001481214287 892582521 /nfs/dbraw/zinc/58/25/21/892582521.db2.gz UEROJRBFVXXMBA-MRVPVSSYSA-N 0 3 299.331 -2.231 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1ccnn1C)C(=O)NC(N)=O ZINC001481213851 892582704 /nfs/dbraw/zinc/58/27/04/892582704.db2.gz LZUKMAQYSYAXMM-QMMMGPOBSA-N 0 3 296.331 -1.335 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1cscn1 ZINC001481213509 892582836 /nfs/dbraw/zinc/58/28/36/892582836.db2.gz ITVMLRMQMQCQMM-UHFFFAOYSA-N 0 3 285.329 -1.000 20 0 CAADHN CO[C@H](C)C(=O)N(C)CCNCC(=O)N1CCOCC1 ZINC001481211116 892582873 /nfs/dbraw/zinc/58/28/73/892582873.db2.gz BXWXEUMQJWKHQZ-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN COC(=O)NCC(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001481211552 892583269 /nfs/dbraw/zinc/58/32/69/892583269.db2.gz YIVSGDXLZTUDMV-ZETCQYMHSA-N 0 3 260.294 -1.736 20 0 CAADHN COCCN(CCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001481182444 892583328 /nfs/dbraw/zinc/58/33/28/892583328.db2.gz DHHQMVSGQFDLNP-JTQLQIEISA-N 0 3 270.333 -1.105 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H](C)NC(C)=O ZINC001481203642 892583547 /nfs/dbraw/zinc/58/35/47/892583547.db2.gz DURMTBAKNRJZIN-MRVPVSSYSA-N 0 3 258.322 -1.695 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1COCCO1 ZINC001481208266 892583772 /nfs/dbraw/zinc/58/37/72/892583772.db2.gz AHHZPOGFEQZVHQ-MNOVXSKESA-N 0 3 285.344 -1.320 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1cccn1)C(=O)NC(N)=O ZINC001481206367 892584180 /nfs/dbraw/zinc/58/41/80/892584180.db2.gz VXNQAUJFYQNRNK-SECBINFHSA-N 0 3 296.331 -1.486 20 0 CAADHN C[C@@H](CC(=O)N(C)CCN[C@@H]1CCCNC1=O)NC(N)=O ZINC001481229687 892585291 /nfs/dbraw/zinc/58/52/91/892585291.db2.gz WWAVXXIJPFNJHH-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(C)CNC(=O)CNCCN(C)C(=O)Cn1ncnn1 ZINC001481230717 892585333 /nfs/dbraw/zinc/58/53/33/892585333.db2.gz CNZSHPXSVABJJY-UHFFFAOYSA-N 0 3 297.363 -1.507 20 0 CAADHN C[C@H](CC(=O)N(C)CCN[C@H]1CCCNC1=O)NC(N)=O ZINC001481229688 892585436 /nfs/dbraw/zinc/58/54/36/892585436.db2.gz WWAVXXIJPFNJHH-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001481225017 892585542 /nfs/dbraw/zinc/58/55/42/892585542.db2.gz IDXWCTBOLRYGEG-BDAKNGLRSA-N 0 3 284.316 -1.579 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001481226088 892585822 /nfs/dbraw/zinc/58/58/22/892585822.db2.gz ZZALZLDYOHMJPX-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN CN(CCNCC(=O)N1CCOCC1)C(=O)CC(N)=O ZINC001481216438 892585979 /nfs/dbraw/zinc/58/59/79/892585979.db2.gz BDCCNPVNTGHWDR-UHFFFAOYSA-N 0 3 286.332 -2.231 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1COC(=O)N1 ZINC001481225021 892586043 /nfs/dbraw/zinc/58/60/43/892586043.db2.gz IDXWCTBOLRYGEG-DTWKUNHWSA-N 0 3 284.316 -1.579 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1CN(C)CCO1)C(N)=O ZINC001481217226 892586135 /nfs/dbraw/zinc/58/61/35/892586135.db2.gz GJYNSAZPZYPEEV-GHMZBOCLSA-N 0 3 286.376 -1.371 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001481225643 892586310 /nfs/dbraw/zinc/58/63/10/892586310.db2.gz RLHZXNGVBGOJNQ-BDAKNGLRSA-N 0 3 284.316 -1.627 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1COC(=O)N1)C(=O)NC1CC1 ZINC001481225485 892586458 /nfs/dbraw/zinc/58/64/58/892586458.db2.gz PSUOKUILDSWIOX-WPRPVWTQSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCNCC(=O)N(C)C ZINC001481223844 892586571 /nfs/dbraw/zinc/58/65/71/892586571.db2.gz WFKQTKKMTGMFGF-QMMMGPOBSA-N 0 3 273.337 -1.821 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)CN1CCOCC1 ZINC001481222512 892586658 /nfs/dbraw/zinc/58/66/58/892586658.db2.gz FLCTZNZSYXGINX-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CCn1ccnn1 ZINC001481224480 892586767 /nfs/dbraw/zinc/58/67/67/892586767.db2.gz RZZNMCHVXWINDD-UHFFFAOYSA-N 0 3 268.321 -1.538 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1COC(=O)N1 ZINC001481224737 892587267 /nfs/dbraw/zinc/58/72/67/892587267.db2.gz BMXSKDWNPFMPLE-HTQZYQBOSA-N 0 3 270.289 -1.969 20 0 CAADHN CCn1nncc1C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001481227317 892587387 /nfs/dbraw/zinc/58/73/87/892587387.db2.gz VAAAWCBNVIJNAE-VIFPVBQESA-N 0 3 280.332 -1.152 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cnnn1C ZINC001481224787 892587405 /nfs/dbraw/zinc/58/74/05/892587405.db2.gz CNRIABZMYIRQPG-UHFFFAOYSA-N 0 3 254.294 -1.777 20 0 CAADHN C[C@@H](C(=O)N(C)CCNCC(=O)N(C)C)n1cncn1 ZINC001481222491 892587461 /nfs/dbraw/zinc/58/74/61/892587461.db2.gz DUEBXIAIUDCEGM-JTQLQIEISA-N 0 3 282.348 -1.025 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001481217106 892587607 /nfs/dbraw/zinc/58/76/07/892587607.db2.gz BVNFQNMMRWMUOC-JTQLQIEISA-N 0 3 272.349 -1.889 20 0 CAADHN CCNC(=O)CC(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001481222276 892587882 /nfs/dbraw/zinc/58/78/82/892587882.db2.gz PIDRTNKFPOWQIY-SECBINFHSA-N 0 3 298.343 -1.634 20 0 CAADHN CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1COC(=O)N1 ZINC001481226083 892587979 /nfs/dbraw/zinc/58/79/79/892587979.db2.gz ZZALZLDYOHMJPX-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@@H](CC(=O)N(C)CCN[C@H]1CCCNC1=O)NC(N)=O ZINC001481229686 892588012 /nfs/dbraw/zinc/58/80/12/892588012.db2.gz WWAVXXIJPFNJHH-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1CN(C)CCO1 ZINC001481217696 892588092 /nfs/dbraw/zinc/58/80/92/892588092.db2.gz QECOAHSFPUKKBU-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1COC(=O)N1 ZINC001481224739 892588215 /nfs/dbraw/zinc/58/82/15/892588215.db2.gz BMXSKDWNPFMPLE-SFYZADRCSA-N 0 3 270.289 -1.969 20 0 CAADHN C[C@H](CC(=O)N(C)CCN[C@@H]1CCCNC1=O)NC(N)=O ZINC001481229685 892588258 /nfs/dbraw/zinc/58/82/58/892588258.db2.gz WWAVXXIJPFNJHH-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)Cc1ccn(C)n1 ZINC001481228601 892588339 /nfs/dbraw/zinc/58/83/39/892588339.db2.gz CKKKUJQFJJWIJC-LLVKDONJSA-N 0 3 279.344 -1.101 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@H]1CCCC(=O)N1 ZINC001481255440 892589197 /nfs/dbraw/zinc/58/91/97/892589197.db2.gz IAVUAHJAXKXIDJ-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CCc1nccn1C ZINC001481261611 892589507 /nfs/dbraw/zinc/58/95/07/892589507.db2.gz NVFPSGMPQARRPB-UHFFFAOYSA-N 0 3 267.333 -1.114 20 0 CAADHN CO[C@H](C(=O)N(C)CCNCC(N)=O)c1cnn(C)c1 ZINC001481261398 892589625 /nfs/dbraw/zinc/58/96/25/892589625.db2.gz FFPFZGKGSJXGHF-NSHDSACASA-N 0 3 283.332 -1.359 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@H]1CCCC(=O)N1)C(N)=O ZINC001481255648 892589803 /nfs/dbraw/zinc/58/98/03/892589803.db2.gz OJVFXFHLFKIHIR-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CCCC(=O)N1 ZINC001481244234 892589937 /nfs/dbraw/zinc/58/99/37/892589937.db2.gz MYFCLUPYIBCULS-LLVKDONJSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)C(N)=O ZINC001481248776 892590269 /nfs/dbraw/zinc/59/02/69/892590269.db2.gz TXXVOXRPLDXUAQ-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001481235503 892590289 /nfs/dbraw/zinc/59/02/89/892590289.db2.gz APPSCYRUVCGHGW-SECBINFHSA-N 0 3 298.343 -1.682 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CN1CCNC(=O)C1 ZINC001481265773 892590336 /nfs/dbraw/zinc/59/03/36/892590336.db2.gz VMERAIICMNWOIL-UHFFFAOYSA-N 0 3 271.321 -3.049 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cnc2n[nH]nc2c1 ZINC001481240778 892590347 /nfs/dbraw/zinc/59/03/47/892590347.db2.gz XJSPLZAPDQZIRK-UHFFFAOYSA-N 0 3 291.315 -1.240 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001481242025 892590520 /nfs/dbraw/zinc/59/05/20/892590520.db2.gz RKRWTXIKNNDBOM-SSDOTTSWSA-N 0 3 269.305 -1.041 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001481248227 892590485 /nfs/dbraw/zinc/59/04/85/892590485.db2.gz OGBGEHSGBKNKAV-MRVPVSSYSA-N 0 3 296.331 -1.921 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@@H]1CCCC(=O)N1)C(N)=O ZINC001481255649 892590604 /nfs/dbraw/zinc/59/06/04/892590604.db2.gz OJVFXFHLFKIHIR-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)CN1CCCCC1=O ZINC001481251884 892590654 /nfs/dbraw/zinc/59/06/54/892590654.db2.gz GZKZKJGDEFYWMH-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCN(C)C(=O)C1)C(N)=O ZINC001481248777 892590666 /nfs/dbraw/zinc/59/06/66/892590666.db2.gz TXXVOXRPLDXUAQ-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cncn1C ZINC001481253159 892590712 /nfs/dbraw/zinc/59/07/12/892590712.db2.gz YWIJCHDAVMSXBL-VIFPVBQESA-N 0 3 265.317 -1.030 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001481239883 892590779 /nfs/dbraw/zinc/59/07/79/892590779.db2.gz ROCYQQDIOUZVHA-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCC(=O)NC1 ZINC001481252618 892590993 /nfs/dbraw/zinc/59/09/93/892590993.db2.gz YEXDNCNLJHWBLP-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN COc1nccc(C(=O)N(C)CCNCC(N)=O)n1 ZINC001481257216 892591253 /nfs/dbraw/zinc/59/12/53/892591253.db2.gz VQMBNNZVGMTNIR-UHFFFAOYSA-N 0 3 267.289 -1.368 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)CCc1ccon1 ZINC001481257839 892591556 /nfs/dbraw/zinc/59/15/56/892591556.db2.gz TZSXPLJSLZFEII-UHFFFAOYSA-N 0 3 297.315 -1.150 20 0 CAADHN C[C@H](NC(=O)c1ccoc1)C(=O)N(C)CCNCC(N)=O ZINC001481231936 892591823 /nfs/dbraw/zinc/59/18/23/892591823.db2.gz BQRGUGMGBPBSDH-VIFPVBQESA-N 0 3 296.327 -1.069 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CN1CCCS1(=O)=O ZINC001481238032 892591887 /nfs/dbraw/zinc/59/18/87/892591887.db2.gz MAEFMHYODZNZOJ-UHFFFAOYSA-N 0 3 292.361 -2.445 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1cncc(OC)n1 ZINC001481287183 892592874 /nfs/dbraw/zinc/59/28/74/892592874.db2.gz FIHXSWLCHYHZGH-UHFFFAOYSA-N 0 3 281.316 -1.107 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1CCNC1=O ZINC001481267419 892592915 /nfs/dbraw/zinc/59/29/15/892592915.db2.gz XSHMLLGNFHJXES-VHSXEESVSA-N 0 3 282.344 -1.599 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)CCCF ZINC001481267242 892593124 /nfs/dbraw/zinc/59/31/24/892593124.db2.gz YXUNBKCIXFTWLZ-UHFFFAOYSA-N 0 3 262.285 -1.021 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001481291315 892593546 /nfs/dbraw/zinc/59/35/46/892593546.db2.gz UGIFKEQSJYFGNS-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N(C)CCN[C@H]1CCNC1=O ZINC001481282485 892594250 /nfs/dbraw/zinc/59/42/50/892594250.db2.gz QVSVACMFERNCEK-MNOVXSKESA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cc1cnoc1)C(=O)NC(N)=O ZINC001481269604 892594297 /nfs/dbraw/zinc/59/42/97/892594297.db2.gz JWOFGBGIIZUQSW-QMMMGPOBSA-N 0 3 297.315 -1.152 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001481279960 892594456 /nfs/dbraw/zinc/59/44/56/892594456.db2.gz QQCVFOQJGIVACV-ZJUUUORDSA-N 0 3 282.344 -1.566 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1CCNC1=O ZINC001481267418 892594756 /nfs/dbraw/zinc/59/47/56/892594756.db2.gz XSHMLLGNFHJXES-UWVGGRQHSA-N 0 3 282.344 -1.599 20 0 CAADHN CN(CCNCc1cncn1C)C(=O)c1nnn(C)n1 ZINC001481267974 892594815 /nfs/dbraw/zinc/59/48/15/892594815.db2.gz AWDZYWJZSPCKEV-UHFFFAOYSA-N 0 3 278.320 -1.195 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)CC1 ZINC001481291983 892594926 /nfs/dbraw/zinc/59/49/26/892594926.db2.gz VCFIMHVRRAIHRZ-SNVBAGLBSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)c1cnn(C)n1 ZINC001481291894 892595158 /nfs/dbraw/zinc/59/51/58/892595158.db2.gz RWEMQXPUEUYFKI-QMMMGPOBSA-N 0 3 294.315 -1.718 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001481279509 892595187 /nfs/dbraw/zinc/59/51/87/892595187.db2.gz JAHUEEYEOKDILB-HRDYMLBCSA-N 0 3 268.317 -1.956 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N(C)CCN[C@@H]1CCNC1=O ZINC001481282487 892595257 /nfs/dbraw/zinc/59/52/57/892595257.db2.gz QVSVACMFERNCEK-WDEREUQCSA-N 0 3 284.360 -1.162 20 0 CAADHN Cc1ncc(C(=O)N(C)CCNCC(N)=O)n1C ZINC001481271227 892595267 /nfs/dbraw/zinc/59/52/67/892595267.db2.gz RKNRVOYPZDMHCU-UHFFFAOYSA-N 0 3 253.306 -1.125 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)C[C@@H]1CCC(=O)N1 ZINC001481291427 892595390 /nfs/dbraw/zinc/59/53/90/892595390.db2.gz UGIFKEQSJYFGNS-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)C[C@H]1CCC(=O)N1 ZINC001481291426 892595416 /nfs/dbraw/zinc/59/54/16/892595416.db2.gz UGIFKEQSJYFGNS-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CN(CCNCc1nc(=O)n(C)[n-]1)C(=O)CCC[NH+](C)C ZINC001481272394 892595461 /nfs/dbraw/zinc/59/54/61/892595461.db2.gz FQQJMNALNGKQOP-UHFFFAOYSA-N 0 3 298.391 -1.002 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1C[C@]12CCOC2 ZINC001481302662 892596494 /nfs/dbraw/zinc/59/64/94/892596494.db2.gz QPQBQDBKLMHAPI-SKDRFNHKSA-N 0 3 255.318 -1.054 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1cncn1)C(=O)NC(N)=O ZINC001481312673 892596526 /nfs/dbraw/zinc/59/65/26/892596526.db2.gz XQXIWBNHCSAODB-QMMMGPOBSA-N 0 3 297.319 -2.091 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)CCc1cn(C)nn1 ZINC001481323197 892596723 /nfs/dbraw/zinc/59/67/23/892596723.db2.gz CNARXNCQYFBBSR-SNVBAGLBSA-N 0 3 296.375 -1.070 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)CCNC(N)=O ZINC001481314129 892597120 /nfs/dbraw/zinc/59/71/20/892597120.db2.gz DRTAHGKXEMJENW-UHFFFAOYSA-N 0 3 273.337 -1.819 20 0 CAADHN CN(CCNCCF)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001481312390 892598016 /nfs/dbraw/zinc/59/80/16/892598016.db2.gz MVNYMBYPDHJBOI-QMMMGPOBSA-N 0 3 274.296 -1.008 20 0 CAADHN Cc1nccc(C(=O)N(C)CCNCC(=O)NC(N)=O)n1 ZINC001481315770 892597784 /nfs/dbraw/zinc/59/77/84/892597784.db2.gz JHAQBRHKZRQAPT-UHFFFAOYSA-N 0 3 294.315 -1.358 20 0 CAADHN COc1ncc(C(=O)N(C)CCNCC(N)=O)cn1 ZINC001481297289 892597809 /nfs/dbraw/zinc/59/78/09/892597809.db2.gz LWSLHYBLNXVNSN-UHFFFAOYSA-N 0 3 267.289 -1.368 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1C[C@@]12CCOC2 ZINC001481302657 892597879 /nfs/dbraw/zinc/59/78/79/892597879.db2.gz QPQBQDBKLMHAPI-BXKDBHETSA-N 0 3 255.318 -1.054 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001481305928 892597974 /nfs/dbraw/zinc/59/79/74/892597974.db2.gz SVDHDQTZAFOJAJ-BDAKNGLRSA-N 0 3 296.327 -1.882 20 0 CAADHN Cc1nonc1C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001481323028 892598174 /nfs/dbraw/zinc/59/81/74/892598174.db2.gz WHCMLIZGNIAVFY-ZETCQYMHSA-N 0 3 255.278 -1.087 20 0 CAADHN CNC(=O)CN(CCCNC(=O)Cn1cnnn1)C(C)C ZINC001481346600 892598469 /nfs/dbraw/zinc/59/84/69/892598469.db2.gz DDLPMBKEFIXBNA-UHFFFAOYSA-N 0 3 297.363 -1.364 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)C1(C(=O)NC)CCC1 ZINC001481306667 892598510 /nfs/dbraw/zinc/59/85/10/892598510.db2.gz YTMQRFOGYWPPEO-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)Cc1cncn1C ZINC001481303992 892598783 /nfs/dbraw/zinc/59/87/83/892598783.db2.gz FDTZWWVQJIFMFZ-LLVKDONJSA-N 0 3 279.344 -1.101 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1ccc(C(N)=O)cc1 ZINC001481313908 892598835 /nfs/dbraw/zinc/59/88/35/892598835.db2.gz UYOVJLCYQBNKFQ-UHFFFAOYSA-N 0 3 278.312 -1.068 20 0 CAADHN CN(CC(N)=O)CC1CCN(C(=O)CC(N)=O)CC1 ZINC001481513904 892600782 /nfs/dbraw/zinc/60/07/82/892600782.db2.gz WZSLOBVABWJLND-UHFFFAOYSA-N 0 3 270.333 -1.483 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001481537953 892601283 /nfs/dbraw/zinc/60/12/83/892601283.db2.gz UAKWGTFGIOPRDE-WDEREUQCSA-N 0 3 299.371 -1.160 20 0 CAADHN C[C@H](C(N)=O)N(C)CC1CCN(C(=O)CC(N)=O)CC1 ZINC001481513073 892601324 /nfs/dbraw/zinc/60/13/24/892601324.db2.gz HBLVCBHJIMKTJW-SECBINFHSA-N 0 3 284.360 -1.094 20 0 CAADHN CC[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001481498247 892602161 /nfs/dbraw/zinc/60/21/61/892602161.db2.gz PZJLFNQRTMTWNO-IUCAKERBSA-N 0 3 270.333 -1.484 20 0 CAADHN CNC(=O)NCC(=O)NCC1CN(C[C@@H](C)O)C1 ZINC001481628595 892612990 /nfs/dbraw/zinc/61/29/90/892612990.db2.gz WIANMNCMUPGNAS-MRVPVSSYSA-N 0 3 258.322 -1.656 20 0 CAADHN CCN1CC(CNC(=O)CN2CCOCC2=O)C1 ZINC001481629855 892613417 /nfs/dbraw/zinc/61/34/17/892613417.db2.gz YKFKGRIOGRARBP-UHFFFAOYSA-N 0 3 255.318 -1.087 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)C[C@@H](C)NC(N)=O)C1 ZINC001481624944 892613644 /nfs/dbraw/zinc/61/36/44/892613644.db2.gz NRNWNELGUJZRKI-RKDXNWHRSA-N 0 3 272.349 -1.138 20 0 CAADHN CNC(=O)NCC(=O)NCC1CN(C[C@@H](C)OC)C1 ZINC001481627762 892614900 /nfs/dbraw/zinc/61/49/00/892614900.db2.gz GXDDUJJTBDKEIW-SECBINFHSA-N 0 3 272.349 -1.002 20 0 CAADHN O=C(CCN1CCOCC1)NCC1CN(CCO)C1 ZINC001481650261 892615868 /nfs/dbraw/zinc/61/58/68/892615868.db2.gz FKATYEDEQSGGLF-UHFFFAOYSA-N 0 3 271.361 -1.251 20 0 CAADHN CCN1CC(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001481646751 892616564 /nfs/dbraw/zinc/61/65/64/892616564.db2.gz PXYIBCGBTCMKBF-QMMMGPOBSA-N 0 3 263.363 -1.008 20 0 CAADHN CNC(=O)C1(C(=O)NCC2CN(C[C@@H](C)O)C2)CC1 ZINC001481650331 892616968 /nfs/dbraw/zinc/61/69/68/892616968.db2.gz GMIRBIISEGXBQF-SECBINFHSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001481658497 892617032 /nfs/dbraw/zinc/61/70/32/892617032.db2.gz DOVHQMHNWSRHMZ-QMMMGPOBSA-N 0 3 284.316 -2.033 20 0 CAADHN CNS(=O)(=O)CC(=O)NCC1CN(CCCOC)C1 ZINC001481658939 892617965 /nfs/dbraw/zinc/61/79/65/892617965.db2.gz VCHPISGXDZRRLK-UHFFFAOYSA-N 0 3 293.389 -1.380 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)CCn2cnnn2)C1 ZINC001481694481 892619695 /nfs/dbraw/zinc/61/96/95/892619695.db2.gz ABELHEGHYCBHEI-UWVGGRQHSA-N 0 3 268.321 -1.366 20 0 CAADHN CC(C)N(C)CC(=O)NCC1CN(CC(=O)NC(N)=O)C1 ZINC001481669715 892620359 /nfs/dbraw/zinc/62/03/59/892620359.db2.gz RUKHUPSRWBPHPT-UHFFFAOYSA-N 0 3 299.375 -1.431 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NCC1CN(CCCO)C1 ZINC001481665625 892620540 /nfs/dbraw/zinc/62/05/40/892620540.db2.gz MOPGORDKAQLHJE-SNVBAGLBSA-N 0 3 283.328 -1.530 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001481694159 892620767 /nfs/dbraw/zinc/62/07/67/892620767.db2.gz QPCGZWSBKQOMIT-UWVGGRQHSA-N 0 3 298.343 -1.189 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](N(C)C(=O)C2(C(N)=O)CC2)C1 ZINC001481740699 892623139 /nfs/dbraw/zinc/62/31/39/892623139.db2.gz SCPRGPQEOXCLLY-QWRGUYRKSA-N 0 3 299.371 -1.208 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001481723752 892623598 /nfs/dbraw/zinc/62/35/98/892623598.db2.gz YETGEIFBWRAIQN-DTWKUNHWSA-N 0 3 258.322 -1.432 20 0 CAADHN CC[C@@H](CNC(=O)c1cnccn1)NCC(=O)NC(N)=O ZINC001481784674 892623661 /nfs/dbraw/zinc/62/36/61/892623661.db2.gz PVWIBZHGZAWVPA-QMMMGPOBSA-N 0 3 294.315 -1.231 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001481700972 892624435 /nfs/dbraw/zinc/62/44/35/892624435.db2.gz JGVIYAXTMFCPLD-HRDYMLBCSA-N 0 3 258.322 -1.386 20 0 CAADHN CC[C@H](CNC(=O)CCn1ccnn1)NCC(=O)NC ZINC001481806101 892626850 /nfs/dbraw/zinc/62/68/50/892626850.db2.gz WMWWVQZVYCGLRY-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](CC)N[C@@H]1CCNC1=O ZINC001481796897 892627017 /nfs/dbraw/zinc/62/70/17/892627017.db2.gz FTQIZOOLBDFMNE-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CC[C@H](CNC(=O)CCNC(=O)NC)N[C@@H]1CCNC1=O ZINC001481808095 892627144 /nfs/dbraw/zinc/62/71/44/892627144.db2.gz RGCNHQMPHXPUOV-NXEZZACHSA-N 0 3 299.375 -1.322 20 0 CAADHN CC[C@H](CNC(=O)CN(C)C(C)=O)N[C@@H]1CCNC1=O ZINC001481790648 892627342 /nfs/dbraw/zinc/62/73/42/892627342.db2.gz PDPBLFOUCFVYDG-GHMZBOCLSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@@H](CNC(=O)Cn1ncn(C)c1=O)N[C@@H](C)C(N)=O ZINC001481827204 892627414 /nfs/dbraw/zinc/62/74/14/892627414.db2.gz XUQGMPNJZFLHMN-IUCAKERBSA-N 0 3 298.347 -2.060 20 0 CAADHN CC[C@H](CNC(=O)CC(N)=O)NCC(=O)N(C)C1CC1 ZINC001481796100 892627544 /nfs/dbraw/zinc/62/75/44/892627544.db2.gz CEGFCVPDWUDPSR-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)n1cncn1)NCC(N)=O ZINC001481802646 892627768 /nfs/dbraw/zinc/62/77/68/892627768.db2.gz FEZVXYHUZPXFIB-DTWKUNHWSA-N 0 3 268.321 -1.191 20 0 CAADHN CC[C@H](CNC(=O)Cn1ncn(C)c1=O)N[C@@H](C)C(N)=O ZINC001481827203 892627940 /nfs/dbraw/zinc/62/79/40/892627940.db2.gz XUQGMPNJZFLHMN-DTWKUNHWSA-N 0 3 298.347 -2.060 20 0 CAADHN CC[C@@H](CNC(=O)CS(C)(=O)=O)N[C@@H](C)C(=O)NC ZINC001481795464 892628041 /nfs/dbraw/zinc/62/80/41/892628041.db2.gz ZGCCTQPHSXFFPW-IUCAKERBSA-N 0 3 293.389 -1.350 20 0 CAADHN CC[C@H](CNC(=O)CN(C)C(C)=O)N[C@H]1CCNC1=O ZINC001481790649 892628073 /nfs/dbraw/zinc/62/80/73/892628073.db2.gz PDPBLFOUCFVYDG-MNOVXSKESA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H](C)NC(C)=O)NCC(N)=O ZINC001481786631 892628092 /nfs/dbraw/zinc/62/80/92/892628092.db2.gz LPQVLXNZJVFJFZ-APPZFPTMSA-N 0 3 258.322 -1.519 20 0 CAADHN CC[C@@H](CNC(=O)c1nnn(C)n1)N[C@H]1CCNC1=O ZINC001481840297 892628151 /nfs/dbraw/zinc/62/81/51/892628151.db2.gz DZNIZOOYMZPUOC-YUMQZZPRSA-N 0 3 281.320 -1.803 20 0 CAADHN CC[C@@H](CNC(=O)CS(C)(=O)=O)N[C@H](C)C(=O)NC ZINC001481795462 892628219 /nfs/dbraw/zinc/62/82/19/892628219.db2.gz ZGCCTQPHSXFFPW-BDAKNGLRSA-N 0 3 293.389 -1.350 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)NC1CC1 ZINC001481845254 892628474 /nfs/dbraw/zinc/62/84/74/892628474.db2.gz CFHUVTTWNSOLJZ-PSASIEDQSA-N 0 3 297.359 -1.569 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](CC)N[C@H](C)C(N)=O ZINC001481798062 892628612 /nfs/dbraw/zinc/62/86/12/892628612.db2.gz MXBUZRNBLUFWIR-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@H](CNC(=O)c1nnn(C)n1)N[C@@H]1CCNC1=O ZINC001481840294 892628678 /nfs/dbraw/zinc/62/86/78/892628678.db2.gz DZNIZOOYMZPUOC-HTQZYQBOSA-N 0 3 281.320 -1.803 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H](C)n1cncn1)NCC(N)=O ZINC001481802645 892628752 /nfs/dbraw/zinc/62/87/52/892628752.db2.gz FEZVXYHUZPXFIB-BDAKNGLRSA-N 0 3 268.321 -1.191 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001482628147 892656165 /nfs/dbraw/zinc/65/61/65/892656165.db2.gz FYCJZBUSQCCUJM-AEJSXWLSSA-N 0 3 257.334 -1.121 20 0 CAADHN CC[C@H](CNC(=O)CCn1cnnn1)N[C@H](C)C(N)=O ZINC001481862473 892630003 /nfs/dbraw/zinc/63/00/03/892630003.db2.gz VULSQPVQNHPSNG-RKDXNWHRSA-N 0 3 283.336 -1.579 20 0 CAADHN CC[C@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@@H](C)C(N)=O ZINC001481846071 892630102 /nfs/dbraw/zinc/63/01/02/892630102.db2.gz SBRDISLVMZJWFC-JGVFFNPUSA-N 0 3 281.316 -1.258 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)NC ZINC001481849987 892630118 /nfs/dbraw/zinc/63/01/18/892630118.db2.gz ICKSXGSVLBRRLJ-HLTSFMKQSA-N 0 3 270.333 -1.662 20 0 CAADHN NC(=O)C(=O)NC1(CN[C@@H]2CCNC2=O)CCCC1 ZINC001481904744 892630131 /nfs/dbraw/zinc/63/01/31/892630131.db2.gz HRNXHXPHLOZXGY-MRVPVSSYSA-N 0 3 268.317 -1.621 20 0 CAADHN CC[C@@H](CNC(=O)CS(=O)(=O)CC)NCC(N)=O ZINC001481881102 892630182 /nfs/dbraw/zinc/63/01/82/892630182.db2.gz ITWNQWFHDIKSOT-QMMMGPOBSA-N 0 3 279.362 -1.609 20 0 CAADHN CNC(=O)NCC(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001481930113 892630192 /nfs/dbraw/zinc/63/01/92/892630192.db2.gz JDJIIGLBDRLHKP-LBPRGKRZSA-N 0 3 285.348 -1.725 20 0 CAADHN CC[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@H](C)C(N)=O ZINC001481846072 892630401 /nfs/dbraw/zinc/63/04/01/892630401.db2.gz SBRDISLVMZJWFC-SFYZADRCSA-N 0 3 281.316 -1.258 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NCC(=O)NC(C)(C)C ZINC001481850007 892630739 /nfs/dbraw/zinc/63/07/39/892630739.db2.gz PSSCKRXZQFMEKQ-MRVPVSSYSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NCC(=O)N(CC)C1CC1 ZINC001481850659 892630757 /nfs/dbraw/zinc/63/07/57/892630757.db2.gz WRKOAPCDPNMIGW-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)[C@H]1CCc2nncn2C1)NCC(N)=O ZINC001481880786 892630865 /nfs/dbraw/zinc/63/08/65/892630865.db2.gz HCTNLTNEMMRVDB-UWVGGRQHSA-N 0 3 294.359 -1.190 20 0 CAADHN CC[C@H](CNC(=O)C1CC(=O)NC(=O)C1)N[C@@H](C)C(N)=O ZINC001481859559 892630887 /nfs/dbraw/zinc/63/08/87/892630887.db2.gz GLIMZVAAIOTCJP-IONNQARKSA-N 0 3 298.343 -1.603 20 0 CAADHN CC[C@H](CNC(=O)CCn1cnnn1)N[C@@H](C)C(N)=O ZINC001481862470 892630944 /nfs/dbraw/zinc/63/09/44/892630944.db2.gz VULSQPVQNHPSNG-DTWKUNHWSA-N 0 3 283.336 -1.579 20 0 CAADHN Cn1nncc1C(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001481926049 892631095 /nfs/dbraw/zinc/63/10/95/892631095.db2.gz GKMNWKWRYBMYNO-GFCCVEGCSA-N 0 3 280.332 -1.212 20 0 CAADHN CC[C@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@H](C)C(N)=O ZINC001481846070 892631240 /nfs/dbraw/zinc/63/12/40/892631240.db2.gz SBRDISLVMZJWFC-HTQZYQBOSA-N 0 3 281.316 -1.258 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@@](C)(CNCC(N)=O)C1CC1 ZINC001481919415 892631292 /nfs/dbraw/zinc/63/12/92/892631292.db2.gz QMCOVVFOSHPQFE-SDBXPKJASA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](CNC(=O)c1ccc(=O)n(CC)n1)NCC(N)=O ZINC001481860980 892631432 /nfs/dbraw/zinc/63/14/32/892631432.db2.gz BNBUREZKFUECJC-VIFPVBQESA-N 0 3 295.343 -1.154 20 0 CAADHN CC[C@H](CNC(=O)CS(=O)(=O)CC)NCC(N)=O ZINC001481881101 892631450 /nfs/dbraw/zinc/63/14/50/892631450.db2.gz ITWNQWFHDIKSOT-MRVPVSSYSA-N 0 3 279.362 -1.609 20 0 CAADHN CC[C@@H](CNC(=O)C1CC(=O)NC(=O)C1)N[C@H](C)C(N)=O ZINC001481859557 892631549 /nfs/dbraw/zinc/63/15/49/892631549.db2.gz GLIMZVAAIOTCJP-APPZFPTMSA-N 0 3 298.343 -1.603 20 0 CAADHN C[C@](CNCC(=O)NCC1CC1)(NC(=O)C(N)=O)C1CC1 ZINC001481938767 892632054 /nfs/dbraw/zinc/63/20/54/892632054.db2.gz FVTRWEHRYBDHQE-CQSZACIVSA-N 0 3 296.371 -1.128 20 0 CAADHN CC[C@H](C(N)=O)N1CCC(CCNC(=O)C(N)=O)CC1 ZINC001482047810 892633286 /nfs/dbraw/zinc/63/32/86/892633286.db2.gz YGZOSFRNVKRJLT-SNVBAGLBSA-N 0 3 284.360 -1.046 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CN1C(=O)CCC1=O ZINC001482066337 892634033 /nfs/dbraw/zinc/63/40/33/892634033.db2.gz DYRGPDRKCLRYLY-SECBINFHSA-N 0 3 296.327 -1.799 20 0 CAADHN C[C@H]1CCCC[C@@]1(CNCC(N)=O)NC(=O)C(N)=O ZINC001481961639 892634119 /nfs/dbraw/zinc/63/41/19/892634119.db2.gz OAZMZDITSJKCBB-UFBFGSQYSA-N 0 3 270.333 -1.388 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001482057040 892634147 /nfs/dbraw/zinc/63/41/47/892634147.db2.gz KTIVPTUZPOXBHL-XHNCKOQMSA-N 0 3 285.348 -1.502 20 0 CAADHN C[C@@](CNCC(=O)NC1CC1)(NC(=O)C(N)=O)C1CC1 ZINC001481939981 892634197 /nfs/dbraw/zinc/63/41/97/892634197.db2.gz SIAAJGVANJDDTM-ZDUSSCGKSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@H](CNCc1ccn(C)n1)CNC(=O)Cn1cnnn1 ZINC001482076659 892634475 /nfs/dbraw/zinc/63/44/75/892634475.db2.gz XBJZGILNDDNQBV-SNVBAGLBSA-N 0 3 292.347 -1.051 20 0 CAADHN COC1CC(C(=O)NC[C@@H](O)CNCC(N)=O)C1 ZINC001482740314 892682975 /nfs/dbraw/zinc/68/29/75/892682975.db2.gz VEVCEVIKXKETFX-MGURRDGZSA-N 0 3 259.306 -2.037 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)Cn1cncn1)C1CC1 ZINC001481949864 892634830 /nfs/dbraw/zinc/63/48/30/892634830.db2.gz FMCQKQZKSLRZGK-LBPRGKRZSA-N 0 3 280.332 -1.362 20 0 CAADHN COC1CC(C(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001482740315 892682991 /nfs/dbraw/zinc/68/29/91/892682991.db2.gz VEVCEVIKXKETFX-QJAFJHJLSA-N 0 3 259.306 -2.037 20 0 CAADHN C[C@H](CNCc1nccn1C)CNC(=O)C(N)=O ZINC001482138226 892636951 /nfs/dbraw/zinc/63/69/51/892636951.db2.gz IPEOFKHEMGMJPJ-MRVPVSSYSA-N 0 3 253.306 -1.253 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)Cc1cnn(C)c1 ZINC001482258279 892641689 /nfs/dbraw/zinc/64/16/89/892641689.db2.gz FHGXCJYTAWJZDX-VIFPVBQESA-N 0 3 267.333 -1.116 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)CC(N)=O ZINC001482264596 892641739 /nfs/dbraw/zinc/64/17/39/892641739.db2.gz GEAKMZRGOVOGGG-QMMMGPOBSA-N 0 3 258.322 -1.614 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)CS(C)(=O)=O ZINC001482258052 892641886 /nfs/dbraw/zinc/64/18/86/892641886.db2.gz DEBHOZNSFXORDR-MRVPVSSYSA-N 0 3 279.362 -1.787 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@H]2COCCO2)CCCC1 ZINC001482211668 892642005 /nfs/dbraw/zinc/64/20/05/892642005.db2.gz BZQPGTDIVPVYFW-SNVBAGLBSA-N 0 3 285.344 -1.094 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cn2cncn2)CCCC1 ZINC001482237605 892643371 /nfs/dbraw/zinc/64/33/71/892643371.db2.gz MXCNOXRFNMSRER-UHFFFAOYSA-N 0 3 280.332 -1.218 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001482322344 892645139 /nfs/dbraw/zinc/64/51/39/892645139.db2.gz CJFALRXTOJXHJD-IUCAKERBSA-N 0 3 293.327 -1.292 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)N(C)C(=O)c1nnn(C)n1 ZINC001482317787 892645301 /nfs/dbraw/zinc/64/53/01/892645301.db2.gz CHZUWINZWLXEFO-SECBINFHSA-N 0 3 297.363 -1.215 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001482273624 892645351 /nfs/dbraw/zinc/64/53/51/892645351.db2.gz UDUCOCQQRHYBJI-RKDXNWHRSA-N 0 3 271.317 -1.139 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001482299747 892645413 /nfs/dbraw/zinc/64/54/13/892645413.db2.gz SXSLLJJKVFJZQG-IUCAKERBSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)Cn1ncnn1 ZINC001482283899 892645468 /nfs/dbraw/zinc/64/54/68/892645468.db2.gz RIISGTFGJGSDTO-NXEZZACHSA-N 0 3 295.347 -1.660 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)CC(N)=O ZINC001482267186 892645512 /nfs/dbraw/zinc/64/55/12/892645512.db2.gz WSNOIULCIQABMO-VIFPVBQESA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CN1CCNC(=O)C1 ZINC001482318244 892645532 /nfs/dbraw/zinc/64/55/32/892645532.db2.gz UKZMRGWSDZDWCK-SECBINFHSA-N 0 3 285.348 -2.660 20 0 CAADHN COCCOCC(=O)N(C)[C@H](C)CN[C@@H]1CCNC1=O ZINC001482266526 892645554 /nfs/dbraw/zinc/64/55/54/892645554.db2.gz NWZWXNNVRAQIGU-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001482275499 892645702 /nfs/dbraw/zinc/64/57/02/892645702.db2.gz JVBXGEHTIYHWOD-BDAKNGLRSA-N 0 3 299.375 -1.242 20 0 CAADHN COc1nn(C)cc1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001482315684 892645986 /nfs/dbraw/zinc/64/59/86/892645986.db2.gz ALUGAXLSAYNAJA-MRVPVSSYSA-N 0 3 283.332 -1.036 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001482322343 892646092 /nfs/dbraw/zinc/64/60/92/892646092.db2.gz CJFALRXTOJXHJD-DTWKUNHWSA-N 0 3 293.327 -1.292 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1ccc2n[nH]nc2n1 ZINC001482292087 892646397 /nfs/dbraw/zinc/64/63/97/892646397.db2.gz JRPLFJYHZJJHPU-SSDOTTSWSA-N 0 3 291.315 -1.112 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)Cn1ncnn1 ZINC001482283736 892646418 /nfs/dbraw/zinc/64/64/18/892646418.db2.gz PLOOLYTUEIZLOU-SECBINFHSA-N 0 3 295.347 -1.612 20 0 CAADHN CCn1nncc1C(=O)N(C)[C@H](C)CNCC(N)=O ZINC001482280768 892646466 /nfs/dbraw/zinc/64/64/66/892646466.db2.gz MKAYWJNPZVCOJM-MRVPVSSYSA-N 0 3 268.321 -1.167 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001482275500 892646528 /nfs/dbraw/zinc/64/65/28/892646528.db2.gz JVBXGEHTIYHWOD-IUCAKERBSA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)c1cn(C)nn1 ZINC001482278841 892646685 /nfs/dbraw/zinc/64/66/85/892646685.db2.gz CFASTINNCJEEGE-SECBINFHSA-N 0 3 282.348 -1.047 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)Cc1ccn(C)n1 ZINC001482281979 892646740 /nfs/dbraw/zinc/64/67/40/892646740.db2.gz SKZHGBZJLYFXCW-VIFPVBQESA-N 0 3 267.333 -1.116 20 0 CAADHN C[C@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)c1nc[n-]n1 ZINC001482341720 892648349 /nfs/dbraw/zinc/64/83/49/892648349.db2.gz AGSFAPITNHGTAO-SFYZADRCSA-N 0 3 266.305 -1.257 20 0 CAADHN CC(C)[C@@H](CNC(=O)Cn1ncnn1)NCC(N)=O ZINC001482530540 892648318 /nfs/dbraw/zinc/64/83/18/892648318.db2.gz BZFFNBBHZDFWTG-MRVPVSSYSA-N 0 3 269.309 -2.111 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001482342630 892648328 /nfs/dbraw/zinc/64/83/28/892648328.db2.gz HPMXLHJDYAZYAQ-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001482342625 892648402 /nfs/dbraw/zinc/64/84/02/892648402.db2.gz HPMXLHJDYAZYAQ-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H](C)CS(C)(=O)=O ZINC001482370278 892648442 /nfs/dbraw/zinc/64/84/42/892648442.db2.gz UJONXAFCOCEBRW-RKDXNWHRSA-N 0 3 293.389 -1.411 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001482390064 892648662 /nfs/dbraw/zinc/64/86/62/892648662.db2.gz FRWYGDQYTZDPHS-UWVGGRQHSA-N 0 3 299.375 -1.384 20 0 CAADHN CC(C)[C@H](CNC(=O)CC(N)=O)NCc1cnnn1C ZINC001482517934 892648674 /nfs/dbraw/zinc/64/86/74/892648674.db2.gz MJKJYOWMOYRMMT-JTQLQIEISA-N 0 3 282.348 -1.079 20 0 CAADHN CCCS(=O)(=O)CC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001482365814 892648688 /nfs/dbraw/zinc/64/86/88/892648688.db2.gz LVOXVRYMXKQSOP-VIFPVBQESA-N 0 3 293.389 -1.267 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001482390065 892648758 /nfs/dbraw/zinc/64/87/58/892648758.db2.gz FRWYGDQYTZDPHS-VHSXEESVSA-N 0 3 299.375 -1.384 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)Cn1cncn1 ZINC001482360120 892648870 /nfs/dbraw/zinc/64/88/70/892648870.db2.gz DYFSWMAOAIJEPD-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cccn(C)c1=O ZINC001482353661 892649016 /nfs/dbraw/zinc/64/90/16/892649016.db2.gz DWXCKWJDWJRAEZ-SECBINFHSA-N 0 3 280.328 -1.079 20 0 CAADHN C[C@@H](C[NH2+][C@H]1CCNC1=O)N(C)C(=O)c1nc[n-]n1 ZINC001482341721 892649243 /nfs/dbraw/zinc/64/92/43/892649243.db2.gz AGSFAPITNHGTAO-YUMQZZPRSA-N 0 3 266.305 -1.257 20 0 CAADHN CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cn[n-]n2)C[C@@H]1C ZINC001482421994 892649264 /nfs/dbraw/zinc/64/92/64/892649264.db2.gz CRMVCTFVBKMZSO-IUCAKERBSA-N 0 3 280.332 -1.009 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)CCn1cnnn1 ZINC001482343743 892649321 /nfs/dbraw/zinc/64/93/21/892649321.db2.gz JJYSCRSCXLHLQF-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cccc(C(N)=O)n1 ZINC001482368689 892649532 /nfs/dbraw/zinc/64/95/32/892649532.db2.gz IHFVSCADKRUXGW-QMMMGPOBSA-N 0 3 293.327 -1.284 20 0 CAADHN CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001482390063 892649766 /nfs/dbraw/zinc/64/97/66/892649766.db2.gz FRWYGDQYTZDPHS-NXEZZACHSA-N 0 3 299.375 -1.384 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@H]1CCc2nncn2C1 ZINC001482367762 892650058 /nfs/dbraw/zinc/65/00/58/892650058.db2.gz KCSDYTMZJBRCBW-ZJUUUORDSA-N 0 3 294.359 -1.238 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@]1(C)CCNC1=O ZINC001482329517 892650075 /nfs/dbraw/zinc/65/00/75/892650075.db2.gz GFWYORWHJSRMEE-PRHODGIISA-N 0 3 270.333 -1.566 20 0 CAADHN CC(C)C[C@@H](CN[C@H](C)C(N)=O)NC(=O)Cn1cnnn1 ZINC001482376546 892650159 /nfs/dbraw/zinc/65/01/59/892650159.db2.gz PFBAJNKCIBHHSQ-ZJUUUORDSA-N 0 3 297.363 -1.333 20 0 CAADHN CC(C)[C@H](CNC(=O)Cn1ncnn1)NCC(N)=O ZINC001482530541 892651700 /nfs/dbraw/zinc/65/17/00/892651700.db2.gz BZFFNBBHZDFWTG-QMMMGPOBSA-N 0 3 269.309 -2.111 20 0 CAADHN CCS(=O)(=O)NCC(=O)N(C)CCN(C)C[C@@H](C)O ZINC001482600271 892651958 /nfs/dbraw/zinc/65/19/58/892651958.db2.gz GFXUQXPMHPDTPG-SNVBAGLBSA-N 0 3 295.405 -1.303 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCC(N)=O ZINC001482574079 892652521 /nfs/dbraw/zinc/65/25/21/892652521.db2.gz DZJGARDZKQNAPU-ZJUUUORDSA-N 0 3 299.375 -1.255 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(N)=O)N[C@H]1CCCN(C)C1=O ZINC001482550340 892653032 /nfs/dbraw/zinc/65/30/32/892653032.db2.gz FCVCLFTZGQZXKG-VHSXEESVSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCC(N)=O ZINC001482574078 892654535 /nfs/dbraw/zinc/65/45/35/892654535.db2.gz DZJGARDZKQNAPU-UWVGGRQHSA-N 0 3 299.375 -1.255 20 0 CAADHN CN(CCO)CCN(C)C(=O)COCc1nncn1C ZINC001482639522 892655895 /nfs/dbraw/zinc/65/58/95/892655895.db2.gz LPUHUFDTZLSPRX-UHFFFAOYSA-N 0 3 285.348 -1.286 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@H]1CCN(C(C)C)C1=O ZINC001482698942 892656419 /nfs/dbraw/zinc/65/64/19/892656419.db2.gz OUBDFOMPRYADJK-QWRGUYRKSA-N 0 3 287.360 -1.291 20 0 CAADHN COCC(=O)NC[C@@H](O)CN[C@@H]1CCN(C(C)C)C1=O ZINC001482698943 892657177 /nfs/dbraw/zinc/65/71/77/892657177.db2.gz OUBDFOMPRYADJK-WDEREUQCSA-N 0 3 287.360 -1.291 20 0 CAADHN CN(CCO)CCN(C)C(=O)CC[C@@H]1NC(=O)NC1=O ZINC001482648138 892657205 /nfs/dbraw/zinc/65/72/05/892657205.db2.gz VHLCBEUNPBFRSN-VIFPVBQESA-N 0 3 286.332 -1.643 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccccn1)C(N)=O ZINC001482700314 892657447 /nfs/dbraw/zinc/65/74/47/892657447.db2.gz DRLUDYNYTPTQOR-BDAKNGLRSA-N 0 3 266.301 -1.364 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ccccn1)C(N)=O ZINC001482700316 892657649 /nfs/dbraw/zinc/65/76/49/892657649.db2.gz DRLUDYNYTPTQOR-IUCAKERBSA-N 0 3 266.301 -1.364 20 0 CAADHN CC(=O)NC[C@H](O)CNCC(=O)N(C)CC1CC1 ZINC001482698110 892657723 /nfs/dbraw/zinc/65/77/23/892657723.db2.gz JGDXHGYGKPXPRX-LLVKDONJSA-N 0 3 257.334 -1.059 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CNC(=O)CCOC)C1=O ZINC001482700781 892657765 /nfs/dbraw/zinc/65/77/65/892657765.db2.gz BBNOSISLACVMNX-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)C(C)(F)F ZINC001482701058 892657776 /nfs/dbraw/zinc/65/77/76/892657776.db2.gz CHYUEBYBOMMOCU-LURJTMIESA-N 0 3 253.249 -1.546 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)CC ZINC001482697087 892658130 /nfs/dbraw/zinc/65/81/30/892658130.db2.gz DNNZSGMTPKDAEE-MRVPVSSYSA-N 0 3 274.321 -1.691 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)C2=COCCO2)n[nH]1 ZINC001482705461 892659288 /nfs/dbraw/zinc/65/92/88/892659288.db2.gz TZGJMPDSNVEIIB-VIFPVBQESA-N 0 3 297.315 -1.432 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001482701711 892659505 /nfs/dbraw/zinc/65/95/05/892659505.db2.gz RNGURWSSZISXAY-NXEZZACHSA-N 0 3 286.332 -2.532 20 0 CAADHN CCOCC(=O)NC[C@H](O)CNCC(=O)N1CCCC1 ZINC001482705775 892659567 /nfs/dbraw/zinc/65/95/67/892659567.db2.gz YMSGFARXLAQUDT-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)C(F)F)C1=O ZINC001482701747 892659615 /nfs/dbraw/zinc/65/96/15/892659615.db2.gz HBOPHQCAHNTHKO-RNFRBKRXSA-N 0 3 265.260 -1.451 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cc[n+]([O-])cc1)C(N)=O ZINC001482705360 892659650 /nfs/dbraw/zinc/65/96/50/892659650.db2.gz LMQYFWDXUDXKMS-GHMZBOCLSA-N 0 3 296.327 -1.736 20 0 CAADHN COCCC(=O)NC[C@@H](O)CN[C@H](C)C(=O)N(C)C ZINC001482703530 892659928 /nfs/dbraw/zinc/65/99/28/892659928.db2.gz UKXJHJADJLKGDG-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)C(F)F)C1=O ZINC001482701746 892659835 /nfs/dbraw/zinc/65/98/35/892659835.db2.gz HBOPHQCAHNTHKO-NKWVEPMBSA-N 0 3 265.260 -1.451 20 0 CAADHN CC(=O)NC[C@H](O)CN[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001482704099 892660007 /nfs/dbraw/zinc/66/00/07/892660007.db2.gz YJZDQWRHLFMGBP-GMSGAONNSA-N 0 3 286.332 -1.550 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)C2=COCCO2)cn1 ZINC001482703460 892660401 /nfs/dbraw/zinc/66/04/01/892660401.db2.gz BLBZGQJCVUFZID-LLVKDONJSA-N 0 3 296.327 -1.125 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCCNC1=O)C1CCOCC1 ZINC001482702364 892660483 /nfs/dbraw/zinc/66/04/83/892660483.db2.gz XZBFGJDBWASPNQ-NEPJUHHUSA-N 0 3 299.371 -1.242 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)no1 ZINC001482704957 892660534 /nfs/dbraw/zinc/66/05/34/892660534.db2.gz HEBFHWGESDYNKH-YUMQZZPRSA-N 0 3 270.289 -1.463 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C1CC1 ZINC001482702181 892660594 /nfs/dbraw/zinc/66/05/94/892660594.db2.gz JZOLRRDXHVEFHW-QMMMGPOBSA-N 0 3 272.305 -2.081 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnc(C)cn1 ZINC001482705737 892660620 /nfs/dbraw/zinc/66/06/20/892660620.db2.gz XSXNCZBSLWFSGM-UWVGGRQHSA-N 0 3 295.343 -1.400 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@@H]1CCCO1)N1CCC1 ZINC001482705377 892660632 /nfs/dbraw/zinc/66/06/32/892660632.db2.gz LUHVQZDIQVSXFY-MNOVXSKESA-N 0 3 285.344 -1.536 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)C(F)F)C1=O ZINC001482701734 892660656 /nfs/dbraw/zinc/66/06/56/892660656.db2.gz HBOPHQCAHNTHKO-BQBZGAKWSA-N 0 3 265.260 -1.451 20 0 CAADHN Cc1nc(CNC[C@@H](O)CNC(=O)C2=COCCO2)n[nH]1 ZINC001482705460 892660691 /nfs/dbraw/zinc/66/06/91/892660691.db2.gz TZGJMPDSNVEIIB-SECBINFHSA-N 0 3 297.315 -1.432 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1CC1)NC1CCOCC1 ZINC001482703542 892660899 /nfs/dbraw/zinc/66/08/99/892660899.db2.gz UMYXJCQDCWZBPM-GFCCVEGCSA-N 0 3 299.371 -1.242 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCCNC1=O)C1CCOCC1 ZINC001482702366 892660915 /nfs/dbraw/zinc/66/09/15/892660915.db2.gz XZBFGJDBWASPNQ-RYUDHWBXSA-N 0 3 299.371 -1.242 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccncc1 ZINC001482701394 892660929 /nfs/dbraw/zinc/66/09/29/892660929.db2.gz OUJBACHBFMIQKX-SNVBAGLBSA-N 0 3 266.301 -1.492 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCCNC1=O)C1=COCCO1 ZINC001482705436 892661023 /nfs/dbraw/zinc/66/10/23/892661023.db2.gz SXUNNFHZXBYOCR-NXEZZACHSA-N 0 3 299.327 -1.780 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)no1 ZINC001482704953 892661121 /nfs/dbraw/zinc/66/11/21/892661121.db2.gz HEBFHWGESDYNKH-JGVFFNPUSA-N 0 3 270.289 -1.463 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)[C@H]1CCCO1)N1CCC1 ZINC001482705376 892661207 /nfs/dbraw/zinc/66/12/07/892661207.db2.gz LUHVQZDIQVSXFY-GHMZBOCLSA-N 0 3 285.344 -1.536 20 0 CAADHN CS(=O)(=O)NCCNC[C@@H](O)CNC(=O)C1CCC1 ZINC001482702812 892661280 /nfs/dbraw/zinc/66/12/80/892661280.db2.gz NWVICHMONFYOGY-SNVBAGLBSA-N 0 3 293.389 -1.598 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccncc1 ZINC001482701393 892661319 /nfs/dbraw/zinc/66/13/19/892661319.db2.gz OUJBACHBFMIQKX-JTQLQIEISA-N 0 3 266.301 -1.492 20 0 CAADHN CC(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001482704103 892661349 /nfs/dbraw/zinc/66/13/49/892661349.db2.gz YJZDQWRHLFMGBP-XVKPBYJWSA-N 0 3 286.332 -1.550 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)no1 ZINC001482704955 892661499 /nfs/dbraw/zinc/66/14/99/892661499.db2.gz HEBFHWGESDYNKH-SFYZADRCSA-N 0 3 270.289 -1.463 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC=CCC1 ZINC001482708463 892662585 /nfs/dbraw/zinc/66/25/85/892662585.db2.gz TUYAOSKIQPOXKK-ZJUUUORDSA-N 0 3 255.318 -1.105 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cnn(C)c1)C(N)=O ZINC001482707673 892662914 /nfs/dbraw/zinc/66/29/14/892662914.db2.gz PSNGJUBASQGSEL-UWVGGRQHSA-N 0 3 283.332 -1.636 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cnn(C)c1)C(N)=O ZINC001482707665 892662821 /nfs/dbraw/zinc/66/28/21/892662821.db2.gz PSNGJUBASQGSEL-NXEZZACHSA-N 0 3 283.332 -1.636 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnn(C)c1C ZINC001482709328 892662833 /nfs/dbraw/zinc/66/28/33/892662833.db2.gz QFBLBLNMXGYMSZ-PSASIEDQSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cccn1C ZINC001482709220 892663035 /nfs/dbraw/zinc/66/30/35/892663035.db2.gz PNPWOTXOTPYWBS-SECBINFHSA-N 0 3 268.317 -1.549 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CC=CCC1 ZINC001482708450 892663264 /nfs/dbraw/zinc/66/32/64/892663264.db2.gz TUYAOSKIQPOXKK-NXEZZACHSA-N 0 3 255.318 -1.105 20 0 CAADHN CCO[C@H](C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001482707999 892663484 /nfs/dbraw/zinc/66/34/84/892663484.db2.gz FIPPFVZHGLHJKK-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN CCc1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(=O)NC)[nH]n1 ZINC001482707484 892663760 /nfs/dbraw/zinc/66/37/60/892663760.db2.gz BHIBBNOPDHAKLR-WCBMZHEXSA-N 0 3 297.359 -1.213 20 0 CAADHN Cc1cccc(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001482707815 892663839 /nfs/dbraw/zinc/66/38/39/892663839.db2.gz DHDBKBXFHBAQMK-VIFPVBQESA-N 0 3 266.301 -1.444 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CC=CCC1 ZINC001482708456 892663892 /nfs/dbraw/zinc/66/38/92/892663892.db2.gz TUYAOSKIQPOXKK-UWVGGRQHSA-N 0 3 255.318 -1.105 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)on1 ZINC001482707132 892663916 /nfs/dbraw/zinc/66/39/16/892663916.db2.gz MHMZJDUQCMEEHI-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN Cn1cccc1C(=O)NC[C@@H](O)CN[C@H]1CCN(C)C1=O ZINC001482709185 892664008 /nfs/dbraw/zinc/66/40/08/892664008.db2.gz PMXCRONYIBQKJQ-QWRGUYRKSA-N 0 3 294.355 -1.064 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cnn(C)c1)C(N)=O ZINC001482707675 892664040 /nfs/dbraw/zinc/66/40/40/892664040.db2.gz PSNGJUBASQGSEL-VHSXEESVSA-N 0 3 283.332 -1.636 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001482706396 892664100 /nfs/dbraw/zinc/66/41/00/892664100.db2.gz WDDKUSKLWHFNDM-IONNQARKSA-N 0 3 274.321 -2.676 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001482706394 892664192 /nfs/dbraw/zinc/66/41/92/892664192.db2.gz WDDKUSKLWHFNDM-APPZFPTMSA-N 0 3 274.321 -2.676 20 0 CAADHN Cn1cccc1C(=O)NC[C@H](O)CN[C@@H]1CCN(C)C1=O ZINC001482709175 892664281 /nfs/dbraw/zinc/66/42/81/892664281.db2.gz PMXCRONYIBQKJQ-GHMZBOCLSA-N 0 3 294.355 -1.064 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001482706797 892664326 /nfs/dbraw/zinc/66/43/26/892664326.db2.gz ZLSIVEVBPQGJKL-PSASIEDQSA-N 0 3 288.348 -2.334 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cn1cccn1 ZINC001482707094 892664607 /nfs/dbraw/zinc/66/46/07/892664607.db2.gz LJUFLQAAUMEYIZ-NXEZZACHSA-N 0 3 283.332 -1.916 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)NC(C)=O ZINC001482706395 892664694 /nfs/dbraw/zinc/66/46/94/892664694.db2.gz WDDKUSKLWHFNDM-CBAPKCEASA-N 0 3 274.321 -2.676 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)NC(C)=O ZINC001482706397 892664716 /nfs/dbraw/zinc/66/47/16/892664716.db2.gz WDDKUSKLWHFNDM-VXNVDRBHSA-N 0 3 274.321 -2.676 20 0 CAADHN O=C(COC1CCCC1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001482712346 892665888 /nfs/dbraw/zinc/66/58/88/892665888.db2.gz VSVZVCQTAMKVOE-CMPLNLGQSA-N 0 3 299.371 -1.099 20 0 CAADHN CC[C@@H](OC)C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001482713220 892666369 /nfs/dbraw/zinc/66/63/69/892666369.db2.gz KKQYONZGATUBNH-WDEREUQCSA-N 0 3 287.360 -1.290 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccnc(F)c1 ZINC001482711802 892665963 /nfs/dbraw/zinc/66/59/63/892665963.db2.gz JCPLMNRKEHZNHB-MRVPVSSYSA-N 0 3 270.264 -1.614 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cocn1)NCC1CC1 ZINC001482712550 892666087 /nfs/dbraw/zinc/66/60/87/892666087.db2.gz DTBPGGWTESJJOZ-JTQLQIEISA-N 0 3 296.327 -1.119 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cncs1 ZINC001482711928 892666632 /nfs/dbraw/zinc/66/66/32/892666632.db2.gz SBARYNRLRUWWIV-HTQZYQBOSA-N 0 3 284.341 -1.288 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1=COCCC1)C(N)=O ZINC001482712707 892666790 /nfs/dbraw/zinc/66/67/90/892666790.db2.gz GSTZWJYTBXGVPG-WCBMZHEXSA-N 0 3 271.317 -1.379 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CNC(=O)c2ccon2)C1=O ZINC001482711032 892666817 /nfs/dbraw/zinc/66/68/17/892666817.db2.gz JLZRRHXZVPGHQI-GXSJLCMTSA-N 0 3 296.327 -1.024 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)CC(F)(F)F)C(N)=O ZINC001482711602 892667113 /nfs/dbraw/zinc/66/71/13/892667113.db2.gz HMVPDSQBHGGGAR-WDSKDSINSA-N 0 3 271.239 -1.121 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)COC ZINC001482712164 892667205 /nfs/dbraw/zinc/66/72/05/892667205.db2.gz ANSJHXBFCUYZJV-BDAKNGLRSA-N 0 3 261.322 -1.918 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)COC ZINC001482712165 892667270 /nfs/dbraw/zinc/66/72/70/892667270.db2.gz ANSJHXBFCUYZJV-DTWKUNHWSA-N 0 3 261.322 -1.918 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccnn1C ZINC001482714174 892667338 /nfs/dbraw/zinc/66/73/38/892667338.db2.gz SWYJBYMLJVWARF-QMMMGPOBSA-N 0 3 269.305 -2.154 20 0 CAADHN Cc1ncncc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001482711935 892667348 /nfs/dbraw/zinc/66/73/48/892667348.db2.gz SCTVNDKXOZFFEL-DTWKUNHWSA-N 0 3 281.316 -1.661 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cocn1 ZINC001482714512 892667424 /nfs/dbraw/zinc/66/74/24/892667424.db2.gz VNPWKFCFNYQWTI-VIFPVBQESA-N 0 3 284.316 -1.119 20 0 CAADHN CCN1CC[C@H](NC[C@H](O)CNC(=O)c2ccon2)C1=O ZINC001482711035 892667539 /nfs/dbraw/zinc/66/75/39/892667539.db2.gz JLZRRHXZVPGHQI-ONGXEEELSA-N 0 3 296.327 -1.024 20 0 CAADHN CCn1nnc(C)c1CNC[C@@H](O)CNC(=O)CC(N)=O ZINC001482714318 892667668 /nfs/dbraw/zinc/66/76/68/892667668.db2.gz DIXOQRGUVCLNFP-SECBINFHSA-N 0 3 298.347 -1.951 20 0 CAADHN O=C(COC1CCCC1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001482712351 892667749 /nfs/dbraw/zinc/66/77/49/892667749.db2.gz VSVZVCQTAMKVOE-ZYHUDNBSSA-N 0 3 299.371 -1.099 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001482713132 892667932 /nfs/dbraw/zinc/66/79/32/892667932.db2.gz OVRZUCNWWREBAS-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cscn1)C(N)=O ZINC001482713407 892667995 /nfs/dbraw/zinc/66/79/95/892667995.db2.gz MOCKZJNXZNMOSH-NKWVEPMBSA-N 0 3 272.330 -1.303 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1cocn1)C(N)=O ZINC001482712805 892668065 /nfs/dbraw/zinc/66/80/65/892668065.db2.gz HABUYOFUHSWNBI-JGVFFNPUSA-N 0 3 270.289 -1.381 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)c1ccon1 ZINC001482711741 892668160 /nfs/dbraw/zinc/66/81/60/892668160.db2.gz QGAGFCBDDVYGTH-QMMMGPOBSA-N 0 3 270.289 -1.557 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)Cc1ccon1 ZINC001482715657 892669648 /nfs/dbraw/zinc/66/96/48/892669648.db2.gz MMVVQRBBCRZKIW-WCBMZHEXSA-N 0 3 284.316 -1.582 20 0 CAADHN CCC(=O)NCC(=O)NC[C@@H](O)CNCc1cncn1C ZINC001482717007 892669730 /nfs/dbraw/zinc/66/97/30/892669730.db2.gz VKEBZPCOKRBFDM-NSHDSACASA-N 0 3 297.359 -1.487 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1CCOC1 ZINC001482716156 892669772 /nfs/dbraw/zinc/66/97/72/892669772.db2.gz SSUHCGQWFFZSSU-WDEREUQCSA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CCc1nnc[n-]1 ZINC001482719050 892670507 /nfs/dbraw/zinc/67/05/07/892670507.db2.gz OGKQOGBSJKBBJZ-IUCAKERBSA-N 0 3 298.347 -2.062 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccc(F)nc1)C(N)=O ZINC001482716442 892670605 /nfs/dbraw/zinc/67/06/05/892670605.db2.gz OIUMSPAYEBPQEU-IONNQARKSA-N 0 3 284.291 -1.225 20 0 CAADHN Cc1cccnc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001482719704 892670676 /nfs/dbraw/zinc/67/06/76/892670676.db2.gz VHZFUQKWPOGPCJ-NXEZZACHSA-N 0 3 280.328 -1.056 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CCc1nnc[n-]1 ZINC001482719048 892671084 /nfs/dbraw/zinc/67/10/84/892671084.db2.gz OGKQOGBSJKBBJZ-BDAKNGLRSA-N 0 3 298.347 -2.062 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001482714820 892671187 /nfs/dbraw/zinc/67/11/87/892671187.db2.gz WNBHTAHGNCZZBV-DTWKUNHWSA-N 0 3 282.300 -1.448 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CCc1nnc[n-]1 ZINC001482719049 892671447 /nfs/dbraw/zinc/67/14/47/892671447.db2.gz OGKQOGBSJKBBJZ-DTWKUNHWSA-N 0 3 298.347 -2.062 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)Cc1ccon1 ZINC001482715656 892671656 /nfs/dbraw/zinc/67/16/56/892671656.db2.gz MMVVQRBBCRZKIW-SCZZXKLOSA-N 0 3 284.316 -1.582 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccc(F)nc1 ZINC001482716983 892671684 /nfs/dbraw/zinc/67/16/84/892671684.db2.gz VDDMLDOXRZQCEE-UWVGGRQHSA-N 0 3 296.302 -1.211 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cc1ccon1)C(N)=O ZINC001482715991 892671696 /nfs/dbraw/zinc/67/16/96/892671696.db2.gz QQCKBNHCUSXVFP-APPZFPTMSA-N 0 3 270.289 -1.842 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1ccc(F)nc1 ZINC001482716985 892671755 /nfs/dbraw/zinc/67/17/55/892671755.db2.gz VDDMLDOXRZQCEE-ZJUUUORDSA-N 0 3 296.302 -1.211 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CNCc1cncn1C ZINC001482717006 892671802 /nfs/dbraw/zinc/67/18/02/892671802.db2.gz VKEBZPCOKRBFDM-LLVKDONJSA-N 0 3 297.359 -1.487 20 0 CAADHN Cc1cccnc1C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001482719706 892671867 /nfs/dbraw/zinc/67/18/67/892671867.db2.gz VHZFUQKWPOGPCJ-VHSXEESVSA-N 0 3 280.328 -1.056 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001482724471 892672994 /nfs/dbraw/zinc/67/29/94/892672994.db2.gz LRVRCMPERILYJF-NKWVEPMBSA-N 0 3 274.277 -3.093 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCCCO1 ZINC001482720579 892673092 /nfs/dbraw/zinc/67/30/92/892673092.db2.gz ARGGQZDHQBZMSG-DTWKUNHWSA-N 0 3 259.306 -1.893 20 0 CAADHN CCc1nc(C(=O)NC[C@H](O)CN[C@@H]2CCNC2=O)co1 ZINC001482720754 892673691 /nfs/dbraw/zinc/67/36/91/892673691.db2.gz FDVLQWOZWLMXRR-RKDXNWHRSA-N 0 3 296.327 -1.194 20 0 CAADHN Cn1ncc(C(=O)NC[C@H](O)CNCCF)c1N ZINC001482721614 892673791 /nfs/dbraw/zinc/67/37/91/892673791.db2.gz MEVNHEFWQXBYNM-SSDOTTSWSA-N 0 3 259.285 -1.348 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C1CC(F)(F)C1)C(N)=O ZINC001482720125 892673825 /nfs/dbraw/zinc/67/38/25/892673825.db2.gz YIUNNTCGAPPKBZ-SVRRBLITSA-N 0 3 279.287 -1.028 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1cn(C)cn1 ZINC001482723502 892674067 /nfs/dbraw/zinc/67/40/67/892674067.db2.gz XCAYCTGVUDLMIH-SECBINFHSA-N 0 3 283.332 -1.811 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001482724472 892674351 /nfs/dbraw/zinc/67/43/51/892674351.db2.gz LRVRCMPERILYJF-RNFRBKRXSA-N 0 3 274.277 -3.093 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CC1OCCCO1 ZINC001482722043 892674515 /nfs/dbraw/zinc/67/45/15/892674515.db2.gz POZLFTSYUIFKQN-SECBINFHSA-N 0 3 289.332 -2.048 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)[C@@H]1CCNC(=O)C1 ZINC001482720732 892674732 /nfs/dbraw/zinc/67/47/32/892674732.db2.gz GZEYUDPGUQLDEY-BDAKNGLRSA-N 0 3 261.297 -1.451 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)[C@H]1CCNC(=O)C1 ZINC001482720734 892674837 /nfs/dbraw/zinc/67/48/37/892674837.db2.gz GZEYUDPGUQLDEY-IUCAKERBSA-N 0 3 261.297 -1.451 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)CC(C)(C)O ZINC001482725398 892674966 /nfs/dbraw/zinc/67/49/66/892674966.db2.gz WALFQVWGJLXJIW-VIFPVBQESA-N 0 3 275.349 -1.698 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cc[nH]c(=O)c1 ZINC001482723490 892675044 /nfs/dbraw/zinc/67/50/44/892675044.db2.gz XAUFINPIQOVHQM-SECBINFHSA-N 0 3 282.300 -1.787 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)nn1 ZINC001482727253 892675830 /nfs/dbraw/zinc/67/58/30/892675830.db2.gz NDQRVBKOZMJZCH-VIFPVBQESA-N 0 3 296.331 -2.272 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1nn(C)cc1C)C(N)=O ZINC001482729487 892676461 /nfs/dbraw/zinc/67/64/61/892676461.db2.gz NVBUPKMTEXFWFH-ZJUUUORDSA-N 0 3 297.359 -1.327 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CNC(=O)c1cnnc(C)c1 ZINC001482726173 892676613 /nfs/dbraw/zinc/67/66/13/892676613.db2.gz QDPOTMWJQLLPFV-ONGXEEELSA-N 0 3 295.343 -1.400 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ncc[nH]1)C(N)=O ZINC001482726319 892676775 /nfs/dbraw/zinc/67/67/75/892676775.db2.gz CRQLYCJODUNOQA-RQJHMYQMSA-N 0 3 255.278 -2.036 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CO[C@@H]1CCOC1 ZINC001482729045 892676941 /nfs/dbraw/zinc/67/69/41/892676941.db2.gz LBNHEKDWGJXBOV-RKDXNWHRSA-N 0 3 275.305 -2.656 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CO[C@H]1CCOC1 ZINC001482729044 892677000 /nfs/dbraw/zinc/67/70/00/892677000.db2.gz LBNHEKDWGJXBOV-IUCAKERBSA-N 0 3 275.305 -2.656 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cnnc(C)c1 ZINC001482726172 892677016 /nfs/dbraw/zinc/67/70/16/892677016.db2.gz QDPOTMWJQLLPFV-MWLCHTKSSA-N 0 3 295.343 -1.400 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1nn(C)cc1C ZINC001482729651 892677022 /nfs/dbraw/zinc/67/70/22/892677022.db2.gz UJXUXGLKUXOVIL-SNVBAGLBSA-N 0 3 297.359 -1.455 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ncn(C)n1)C(N)=O ZINC001482729144 892677277 /nfs/dbraw/zinc/67/72/77/892677277.db2.gz XMKCVWPBFGWNNU-RNFRBKRXSA-N 0 3 270.293 -2.631 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1ncc[nH]1)NC1CC1 ZINC001482726888 892677345 /nfs/dbraw/zinc/67/73/45/892677345.db2.gz IIGKNYDPCXDRJH-SECBINFHSA-N 0 3 281.316 -1.631 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1ncc[nH]1)C(N)=O ZINC001482726305 892677936 /nfs/dbraw/zinc/67/79/36/892677936.db2.gz CRQLYCJODUNOQA-BQBZGAKWSA-N 0 3 255.278 -2.036 20 0 CAADHN Cc1c(CC(=O)NC[C@H](O)CNCC(N)=O)cnn1C ZINC001482735733 892679222 /nfs/dbraw/zinc/67/92/22/892679222.db2.gz NQPVKIVWDJMAKB-SNVBAGLBSA-N 0 3 283.332 -2.177 20 0 CAADHN CCCn1nccc1C(=O)NC[C@H](O)CNCC(=O)NC ZINC001482735542 892679326 /nfs/dbraw/zinc/67/93/26/892679326.db2.gz ZRZRJOFBFRKKAR-SNVBAGLBSA-N 0 3 297.359 -1.281 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001482735246 892679380 /nfs/dbraw/zinc/67/93/80/892679380.db2.gz NTSWBZPHENGNAK-MRVPVSSYSA-N 0 3 289.336 -2.930 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001482731891 892679506 /nfs/dbraw/zinc/67/95/06/892679506.db2.gz FOIPGUBMWNQWOU-YUMQZZPRSA-N 0 3 274.321 -2.547 20 0 CAADHN O=C(CN1CCCS1(=O)=O)NC[C@H](O)CNCCF ZINC001482734255 892679656 /nfs/dbraw/zinc/67/96/56/892679656.db2.gz JSBXHPHUUDGQTL-SECBINFHSA-N 0 3 297.352 -1.942 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cc[nH]c1 ZINC001482732138 892679681 /nfs/dbraw/zinc/67/96/81/892679681.db2.gz JJTMPVBCWOYZLV-PSASIEDQSA-N 0 3 268.317 -1.171 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cc[nH]c1 ZINC001482732139 892679744 /nfs/dbraw/zinc/67/97/44/892679744.db2.gz JJTMPVBCWOYZLV-SCZZXKLOSA-N 0 3 268.317 -1.171 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CNCCNS(C)(=O)=O)CC1 ZINC001482731401 892679999 /nfs/dbraw/zinc/67/99/99/892679999.db2.gz AKNNSUKAWJQTRC-VIFPVBQESA-N 0 3 293.389 -1.598 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cc[nH]c1 ZINC001482732140 892680275 /nfs/dbraw/zinc/68/02/75/892680275.db2.gz JJTMPVBCWOYZLV-WCBMZHEXSA-N 0 3 268.317 -1.171 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001482731890 892680464 /nfs/dbraw/zinc/68/04/64/892680464.db2.gz FOIPGUBMWNQWOU-SFYZADRCSA-N 0 3 274.321 -2.547 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001482730385 892680782 /nfs/dbraw/zinc/68/07/82/892680782.db2.gz XTGGVDOLBDBNSN-MNOVXSKESA-N 0 3 297.359 -1.707 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001482730387 892680883 /nfs/dbraw/zinc/68/08/83/892680883.db2.gz XTGGVDOLBDBNSN-WDEREUQCSA-N 0 3 297.359 -1.707 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001482731889 892680967 /nfs/dbraw/zinc/68/09/67/892680967.db2.gz FOIPGUBMWNQWOU-JGVFFNPUSA-N 0 3 274.321 -2.547 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1cc(C2CC2)no1 ZINC001482735133 892681011 /nfs/dbraw/zinc/68/10/11/892681011.db2.gz JZGBHENNFKTVNT-SECBINFHSA-N 0 3 296.327 -1.354 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)[C@@H]1CCCNC1=O ZINC001482740419 892682133 /nfs/dbraw/zinc/68/21/33/892682133.db2.gz WUQJBBLBIYECMR-DTWKUNHWSA-N 0 3 261.297 -1.451 20 0 CAADHN Cc1cn(C(C)(C)C(=O)NC[C@H](O)CNCC(N)=O)cn1 ZINC001482740520 892682187 /nfs/dbraw/zinc/68/21/87/892682187.db2.gz AZPYBPOLVNVXJC-SNVBAGLBSA-N 0 3 297.359 -1.521 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)S(C)(=O)=O ZINC001482742654 892682256 /nfs/dbraw/zinc/68/22/56/892682256.db2.gz SGNVUOOKGLVCDE-BQBZGAKWSA-N 0 3 281.334 -3.029 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1(F)CCCC1 ZINC001482744272 892682798 /nfs/dbraw/zinc/68/27/98/892682798.db2.gz RZAYBVZXSKNYOZ-MRVPVSSYSA-N 0 3 261.297 -1.179 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@H](O)CNCCF)CC1=O ZINC001482744386 892682823 /nfs/dbraw/zinc/68/28/23/892682823.db2.gz UJMOLSVMZKLJLN-NXEZZACHSA-N 0 3 275.324 -1.109 20 0 CAADHN O=C(NC[C@H](O)CNCCF)[C@@H]1CCCNC1=O ZINC001482740423 892683361 /nfs/dbraw/zinc/68/33/61/892683361.db2.gz WUQJBBLBIYECMR-RKDXNWHRSA-N 0 3 261.297 -1.451 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cc2c[nH]ccc-2n1 ZINC001482740746 892683019 /nfs/dbraw/zinc/68/30/19/892683019.db2.gz CLQUMSGZAUMNTD-VIFPVBQESA-N 0 3 291.311 -1.272 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1cnc(C)o1 ZINC001482737505 892683126 /nfs/dbraw/zinc/68/31/26/892683126.db2.gz NZWZHSMHJSEVGF-SNVBAGLBSA-N 0 3 298.343 -1.272 20 0 CAADHN CN1CC[C@@H](C(=O)NC[C@@H](O)CNCCF)CC1=O ZINC001482744389 892683253 /nfs/dbraw/zinc/68/32/53/892683253.db2.gz UJMOLSVMZKLJLN-ZJUUUORDSA-N 0 3 275.324 -1.109 20 0 CAADHN O=C(NC[C@H](O)CNCCF)[C@H]1CCCNC1=O ZINC001482740416 892683595 /nfs/dbraw/zinc/68/35/95/892683595.db2.gz WUQJBBLBIYECMR-BDAKNGLRSA-N 0 3 261.297 -1.451 20 0 CAADHN Cc1ncn(C)c1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001482740262 892683699 /nfs/dbraw/zinc/68/36/99/892683699.db2.gz SMZZBFGFEWDHNH-IUCAKERBSA-N 0 3 283.332 -1.717 20 0 CAADHN Cc1cncn1CC(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001482750682 892684964 /nfs/dbraw/zinc/68/49/64/892684964.db2.gz XYLUYAQGFJVPGQ-NXEZZACHSA-N 0 3 283.332 -1.868 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(COC)o1 ZINC001482749613 892685066 /nfs/dbraw/zinc/68/50/66/892685066.db2.gz ZSEXSIIQGXVKIQ-VIFPVBQESA-N 0 3 299.327 -1.148 20 0 CAADHN COc1nccc(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)n1 ZINC001482746804 892685263 /nfs/dbraw/zinc/68/52/63/892685263.db2.gz BEJTVSYSSYFQBB-SFYZADRCSA-N 0 3 297.315 -1.961 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1cncnc1 ZINC001482750083 892685763 /nfs/dbraw/zinc/68/57/63/892685763.db2.gz JZRBQAGAHKUPIP-SNVBAGLBSA-N 0 3 281.316 -2.039 20 0 CAADHN Cn1cncc1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001482748006 892685925 /nfs/dbraw/zinc/68/59/25/892685925.db2.gz NMVCGVUKHXQBJX-NXEZZACHSA-N 0 3 295.343 -1.621 20 0 CAADHN Cc1nnccc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001482747227 892686088 /nfs/dbraw/zinc/68/60/88/892686088.db2.gz JGWKZYRLTCFHJF-MRVPVSSYSA-N 0 3 267.289 -2.049 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)C1(COC)CC1 ZINC001482750096 892686244 /nfs/dbraw/zinc/68/62/44/892686244.db2.gz KPBGLZWMMOGYLH-SECBINFHSA-N 0 3 273.333 -1.774 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cncn1C ZINC001482749593 892686260 /nfs/dbraw/zinc/68/62/60/892686260.db2.gz ZWGAONUGMUNIFM-VIFPVBQESA-N 0 3 283.332 -1.764 20 0 CAADHN COc1cc(CNC[C@H](O)CNC(=O)c2cn[nH]n2)on1 ZINC001482745715 892686401 /nfs/dbraw/zinc/68/64/01/892686401.db2.gz VSVUZAZJEIWWIN-ZETCQYMHSA-N 0 3 296.287 -1.318 20 0 CAADHN COc1nccc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)n1 ZINC001482746802 892686412 /nfs/dbraw/zinc/68/64/12/892686412.db2.gz BEJTVSYSSYFQBB-HTQZYQBOSA-N 0 3 297.315 -1.961 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cc(F)c[nH]1 ZINC001482750955 892686549 /nfs/dbraw/zinc/68/65/49/892686549.db2.gz DHTLEKHTTLXWRE-RKDXNWHRSA-N 0 3 284.291 -1.277 20 0 CAADHN Cc1nnccc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001482747238 892686688 /nfs/dbraw/zinc/68/66/88/892686688.db2.gz JGWKZYRLTCFHJF-QMMMGPOBSA-N 0 3 267.289 -2.049 20 0 CAADHN COc1cc(CNC[C@@H](O)CNC(=O)c2cn[nH]n2)on1 ZINC001482745714 892686792 /nfs/dbraw/zinc/68/67/92/892686792.db2.gz VSVUZAZJEIWWIN-SSDOTTSWSA-N 0 3 296.287 -1.318 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cn1cncc1C ZINC001482749975 892686833 /nfs/dbraw/zinc/68/68/33/892686833.db2.gz IDGVYDXGFCYBDU-SNVBAGLBSA-N 0 3 283.332 -1.996 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC(=O)NC1 ZINC001482746092 892686916 /nfs/dbraw/zinc/68/69/16/892686916.db2.gz YWNLULJGGCIIDL-IUCAKERBSA-N 0 3 286.332 -2.675 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1ccncc1 ZINC001482745186 892686932 /nfs/dbraw/zinc/68/69/32/892686932.db2.gz LJVMDQDZZKNJNT-LLVKDONJSA-N 0 3 280.328 -1.434 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cn(C)ccc1=O)C(N)=O ZINC001482749268 892686970 /nfs/dbraw/zinc/68/69/70/892686970.db2.gz WCENJVNRAOBGIR-BDAKNGLRSA-N 0 3 296.327 -2.061 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1cncn1C ZINC001482749591 892687073 /nfs/dbraw/zinc/68/70/73/892687073.db2.gz ZWGAONUGMUNIFM-SECBINFHSA-N 0 3 283.332 -1.764 20 0 CAADHN Cn1nnc(C(=O)NC[C@H](O)CNC/C=C/Cl)n1 ZINC001482759492 892688077 /nfs/dbraw/zinc/68/80/77/892688077.db2.gz WTHQQVMULSKDJQ-TYWZFMJISA-N 0 3 274.712 -1.357 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001482754269 892688100 /nfs/dbraw/zinc/68/81/00/892688100.db2.gz UFVRRLGANBJGHQ-WCBMZHEXSA-N 0 3 281.316 -1.713 20 0 CAADHN CC[C@@H](F)C(=O)NC[C@H](O)CNCCS(C)(=O)=O ZINC001482758071 892688181 /nfs/dbraw/zinc/68/81/81/892688181.db2.gz VQGPIHLIYRSNHM-RKDXNWHRSA-N 0 3 284.353 -1.154 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001482760210 892688449 /nfs/dbraw/zinc/68/84/49/892688449.db2.gz JXQOXIAPEFVLQX-KGDYZURWSA-N 0 3 271.317 -2.181 20 0 CAADHN O=C(NC[C@@H](O)CNCc1cccnc1)[C@@H]1CCNC1=O ZINC001482756924 892688850 /nfs/dbraw/zinc/68/88/50/892688850.db2.gz DLJWCZSABYMGDW-NWDGAFQWSA-N 0 3 292.339 -1.216 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)c1nnn(C)n1 ZINC001482759299 892688904 /nfs/dbraw/zinc/68/89/04/892688904.db2.gz UHWBWCMRDVQEFU-QMMMGPOBSA-N 0 3 299.335 -2.585 20 0 CAADHN Cn1c(=O)[nH]cc1C(=O)NC[C@H](O)CNCCF ZINC001482756692 892689051 /nfs/dbraw/zinc/68/90/51/892689051.db2.gz BABHEAFYPDZIFH-SSDOTTSWSA-N 0 3 260.269 -1.225 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](F)C(C)C ZINC001482759516 892689543 /nfs/dbraw/zinc/68/95/43/892689543.db2.gz XCASUZAZTOQTER-PSASIEDQSA-N 0 3 263.313 -1.207 20 0 CAADHN CC[C@H](F)C(=O)NC[C@@H](O)CNCCS(C)(=O)=O ZINC001482758070 892689833 /nfs/dbraw/zinc/68/98/33/892689833.db2.gz VQGPIHLIYRSNHM-IUCAKERBSA-N 0 3 284.353 -1.154 20 0 CAADHN CCCNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C(N)=O ZINC001482765096 892691271 /nfs/dbraw/zinc/69/12/71/892691271.db2.gz FGIBZOPHOVQIHQ-HTQZYQBOSA-N 0 3 274.321 -2.547 20 0 CAADHN O=C(Cc1cnoc1)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001482762986 892691444 /nfs/dbraw/zinc/69/14/44/892691444.db2.gz VQZYQBGOUHTPGI-WDEREUQCSA-N 0 3 296.327 -1.438 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001482762125 892691594 /nfs/dbraw/zinc/69/15/94/892691594.db2.gz JMGGACKIAJTCAV-ZJUUUORDSA-N 0 3 296.331 -2.332 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)C(N)=O)C1=O ZINC001482766800 892691876 /nfs/dbraw/zinc/69/18/76/892691876.db2.gz PBXDIMRZIIERBN-RQJHMYQMSA-N 0 3 258.278 -3.231 20 0 CAADHN Cc1nocc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001482765512 892691964 /nfs/dbraw/zinc/69/19/64/892691964.db2.gz JWUILESHZXQSMD-SECBINFHSA-N 0 3 284.316 -1.248 20 0 CAADHN CCc1ncoc1C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001482766523 892692247 /nfs/dbraw/zinc/69/22/47/892692247.db2.gz LGRISVVGRAYEAZ-PSASIEDQSA-N 0 3 296.327 -1.194 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@@H]1CNC(=O)N1 ZINC001482762121 892692445 /nfs/dbraw/zinc/69/24/45/892692445.db2.gz JMGGACKIAJTCAV-UWVGGRQHSA-N 0 3 296.331 -2.332 20 0 CAADHN CCc1ncoc1C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001482766524 892692456 /nfs/dbraw/zinc/69/24/56/892692456.db2.gz LGRISVVGRAYEAZ-SCZZXKLOSA-N 0 3 296.327 -1.194 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001482766798 892692646 /nfs/dbraw/zinc/69/26/46/892692646.db2.gz PBXDIMRZIIERBN-NKWVEPMBSA-N 0 3 258.278 -3.231 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@]1(F)CCOC1 ZINC001482762338 892692664 /nfs/dbraw/zinc/69/26/64/892692664.db2.gz ORKZCLNOFPIQRU-BXKDBHETSA-N 0 3 291.323 -1.682 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1c[nH]c(=O)cn1 ZINC001482762742 892692754 /nfs/dbraw/zinc/69/27/54/892692754.db2.gz NTNIDTFIIUXPJZ-QMMMGPOBSA-N 0 3 297.315 -2.414 20 0 CAADHN CCN(CC)C(=O)[C@@H](C)NC[C@@H](O)CNC(=O)C(N)=O ZINC001482766842 892694077 /nfs/dbraw/zinc/69/40/77/892694077.db2.gz PKFKEBNDKQVPPM-RKDXNWHRSA-N 0 3 288.348 -2.205 20 0 CAADHN CCc1oncc1C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001482773583 892694135 /nfs/dbraw/zinc/69/41/35/892694135.db2.gz RWDGWNUVKJMBDG-QMMMGPOBSA-N 0 3 284.316 -1.337 20 0 CAADHN C[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)c1ccco1 ZINC001482768175 892694234 /nfs/dbraw/zinc/69/42/34/892694234.db2.gz RNCUENCNPIRFBA-RKDXNWHRSA-N 0 3 269.301 -1.065 20 0 CAADHN CCN(CC)C(=O)[C@@H](C)NC[C@H](O)CNC(=O)C(N)=O ZINC001482766836 892694356 /nfs/dbraw/zinc/69/43/56/892694356.db2.gz PKFKEBNDKQVPPM-BDAKNGLRSA-N 0 3 288.348 -2.205 20 0 CAADHN C[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)c1ccco1 ZINC001482768174 892694507 /nfs/dbraw/zinc/69/45/07/892694507.db2.gz RNCUENCNPIRFBA-IUCAKERBSA-N 0 3 269.301 -1.065 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1[nH]c(C)nc1C ZINC001482770271 892694584 /nfs/dbraw/zinc/69/45/84/892694584.db2.gz PGJMJEZJOIRTFZ-SECBINFHSA-N 0 3 283.332 -1.547 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](O)CNCCF)O1 ZINC001482768486 892694830 /nfs/dbraw/zinc/69/48/30/892694830.db2.gz VSWCWQWVCOERSX-HRDYMLBCSA-N 0 3 277.296 -1.945 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1(C(F)(F)F)CC1 ZINC001482770090 892695255 /nfs/dbraw/zinc/69/52/55/892695255.db2.gz NQOOVUCQBMNRTC-LURJTMIESA-N 0 3 283.250 -1.119 20 0 CAADHN COc1cncc(C(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001482773881 892695332 /nfs/dbraw/zinc/69/53/32/892695332.db2.gz GDNDJOMLXGGRDT-SSDOTTSWSA-N 0 3 283.288 -2.349 20 0 CAADHN CCN(CC)C(=O)[C@H](C)NC[C@@H](O)CNC(=O)C(N)=O ZINC001482766839 892695682 /nfs/dbraw/zinc/69/56/82/892695682.db2.gz PKFKEBNDKQVPPM-DTWKUNHWSA-N 0 3 288.348 -2.205 20 0 CAADHN Cc1ncc(CNC[C@@H](O)CNC(=O)C(N)=O)cn1 ZINC001482767530 892695886 /nfs/dbraw/zinc/69/58/86/892695886.db2.gz SARFZQWZSZQBHC-SECBINFHSA-N 0 3 267.289 -2.163 20 0 CAADHN CCN(CC)C(=O)[C@H](C)NC[C@H](O)CNC(=O)C(N)=O ZINC001482766841 892696105 /nfs/dbraw/zinc/69/61/05/892696105.db2.gz PKFKEBNDKQVPPM-IUCAKERBSA-N 0 3 288.348 -2.205 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H](O)CNCC(N)=O)CC1 ZINC001482775205 892697235 /nfs/dbraw/zinc/69/72/35/892697235.db2.gz LIVHEIVCLXDKHW-ZETCQYMHSA-N 0 3 272.305 -2.935 20 0 CAADHN NC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001482776145 892697377 /nfs/dbraw/zinc/69/73/77/892697377.db2.gz DBFGXTHTQYJGLK-LPEHRKFASA-N 0 3 298.343 -1.706 20 0 CAADHN CCCNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnon1 ZINC001482779424 892697954 /nfs/dbraw/zinc/69/79/54/892697954.db2.gz JYJSMQWYRVEJBE-DTWKUNHWSA-N 0 3 299.331 -1.335 20 0 CAADHN CCn1ccc(C(=O)NC[C@@H](O)CN[C@H](C)C(=O)NC)n1 ZINC001482776193 892698207 /nfs/dbraw/zinc/69/82/07/892698207.db2.gz VXYAPHUPYWHBBF-ZJUUUORDSA-N 0 3 297.359 -1.282 20 0 CAADHN CCn1ccc(C(=O)NC[C@@H](O)CN[C@@H](C)C(=O)NC)n1 ZINC001482776190 892698295 /nfs/dbraw/zinc/69/82/95/892698295.db2.gz VXYAPHUPYWHBBF-UWVGGRQHSA-N 0 3 297.359 -1.282 20 0 CAADHN Cn1ncc(CNC[C@@H](O)CNC(=O)c2ncn[nH]2)n1 ZINC001482779125 892698457 /nfs/dbraw/zinc/69/84/57/892698457.db2.gz WCHZYBUDTLVIRC-MRVPVSSYSA-N 0 3 280.292 -2.186 20 0 CAADHN Cn1ncc(CNC[C@@H](O)CNC(=O)c2nc[nH]n2)n1 ZINC001482779125 892698465 /nfs/dbraw/zinc/69/84/65/892698465.db2.gz WCHZYBUDTLVIRC-MRVPVSSYSA-N 0 3 280.292 -2.186 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](O)CNCCF)CCCS1(=O)=O ZINC001482775625 892698567 /nfs/dbraw/zinc/69/85/67/892698567.db2.gz PVSIKRRFUAVTBD-ONGXEEELSA-N 0 3 296.364 -1.010 20 0 CAADHN O=C(CCc1cn[nH]c1)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001482777996 892698678 /nfs/dbraw/zinc/69/86/78/892698678.db2.gz YJIDVCHILMINSF-GHMZBOCLSA-N 0 3 295.343 -1.703 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1ncccn1 ZINC001482778904 892698881 /nfs/dbraw/zinc/69/88/81/892698881.db2.gz FELRDNHIOLSZEV-JTQLQIEISA-N 0 3 295.343 -1.317 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1ncccn1 ZINC001482778905 892699057 /nfs/dbraw/zinc/69/90/57/892699057.db2.gz FELRDNHIOLSZEV-SNVBAGLBSA-N 0 3 295.343 -1.317 20 0 CAADHN C[C@]1(C(=O)NC[C@H](O)CNCCF)CCCS1(=O)=O ZINC001482775624 892699343 /nfs/dbraw/zinc/69/93/43/892699343.db2.gz PVSIKRRFUAVTBD-MWLCHTKSSA-N 0 3 296.364 -1.010 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnc2cccnn21 ZINC001482777484 892699513 /nfs/dbraw/zinc/69/95/13/892699513.db2.gz URJQOCHOBZPVEK-MRVPVSSYSA-N 0 3 292.299 -2.105 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@H](O)C[NH2+][C@H]1CCNC1=O ZINC001482785106 892700459 /nfs/dbraw/zinc/70/04/59/892700459.db2.gz PZYBZBVAXCARRU-SFYZADRCSA-N 0 3 282.304 -2.698 20 0 CAADHN CS(=O)(=O)C1(C(=O)NC[C@H](O)CNCCF)CCC1 ZINC001482781126 892700628 /nfs/dbraw/zinc/70/06/28/892700628.db2.gz NIPGAMLGRSLNFI-SECBINFHSA-N 0 3 296.364 -1.010 20 0 CAADHN CCCc1nc(C(=O)NC[C@@H](O)CNCC(N)=O)co1 ZINC001482784775 892700541 /nfs/dbraw/zinc/70/05/41/892700541.db2.gz BZYKKEQLAVKWEN-QMMMGPOBSA-N 0 3 284.316 -1.207 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnn(C(F)F)c1 ZINC001482780649 892700601 /nfs/dbraw/zinc/70/06/01/892700601.db2.gz CHJHZRMHTLMKCQ-ZETCQYMHSA-N 0 3 291.258 -1.556 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CNCC(=O)N(C)C)nn1 ZINC001482781067 892700675 /nfs/dbraw/zinc/70/06/75/892700675.db2.gz LNMVAULRTNPZPX-VIFPVBQESA-N 0 3 298.347 -1.934 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1nccs1)C(N)=O ZINC001482780205 892700788 /nfs/dbraw/zinc/70/07/88/892700788.db2.gz ZRZBCQGFUCMQGH-NKWVEPMBSA-N 0 3 272.330 -1.303 20 0 CAADHN Cc1cc(C(=O)NC[C@@H](O)CNCC(N)=O)ccn1 ZINC001482779552 892700804 /nfs/dbraw/zinc/70/08/04/892700804.db2.gz MASSJQPAVRKHRK-JTQLQIEISA-N 0 3 266.301 -1.444 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cnn(CC2CC2)c1 ZINC001482785752 892701014 /nfs/dbraw/zinc/70/10/14/892701014.db2.gz WYBCVJUNQGWQRL-LLVKDONJSA-N 0 3 295.343 -1.541 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CNCC(N)=O)nnn1C(C)C ZINC001482781426 892701077 /nfs/dbraw/zinc/70/10/77/892701077.db2.gz RKXWWQJODQPJEZ-SECBINFHSA-N 0 3 298.347 -1.667 20 0 CAADHN Cn1cncc1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001482785445 892701221 /nfs/dbraw/zinc/70/12/21/892701221.db2.gz JBVAOLCTGZWBHS-VIFPVBQESA-N 0 3 269.305 -2.485 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)CS(C)(=O)=O ZINC001483112090 892728277 /nfs/dbraw/zinc/72/82/77/892728277.db2.gz KAAUBQNPSIZQEV-SFYZADRCSA-N 0 3 279.362 -1.740 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@@H](O)C[NH2+][C@H]1CCNC1=O ZINC001482785108 892701559 /nfs/dbraw/zinc/70/15/59/892701559.db2.gz PZYBZBVAXCARRU-YUMQZZPRSA-N 0 3 282.304 -2.698 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ncccn1)C(=O)N(C)C ZINC001482780232 892701765 /nfs/dbraw/zinc/70/17/65/892701765.db2.gz ZZXKXRBIHUBQSB-NXEZZACHSA-N 0 3 295.343 -1.366 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cnn(CC2CC2)c1 ZINC001482785760 892702033 /nfs/dbraw/zinc/70/20/33/892702033.db2.gz WYBCVJUNQGWQRL-NSHDSACASA-N 0 3 295.343 -1.541 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)c[nH]1 ZINC001482783732 892702124 /nfs/dbraw/zinc/70/21/24/892702124.db2.gz VDOVCTUYGFNSSE-IUCAKERBSA-N 0 3 296.327 -1.763 20 0 CAADHN CCCc1nc(C(=O)NC[C@H](O)CNCC(N)=O)co1 ZINC001482784774 892702143 /nfs/dbraw/zinc/70/21/43/892702143.db2.gz BZYKKEQLAVKWEN-MRVPVSSYSA-N 0 3 284.316 -1.207 20 0 CAADHN C[C@H](CNCCF)NC(=O)CN1CCNC(=O)C1 ZINC001483157082 892737309 /nfs/dbraw/zinc/73/73/09/892737309.db2.gz YCHCQVLQLDBVFL-SECBINFHSA-N 0 3 260.313 -1.518 20 0 CAADHN CCCn1cc(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)nn1 ZINC001482781353 892702702 /nfs/dbraw/zinc/70/27/02/892702702.db2.gz PVDUEQOMWKDZMU-RKDXNWHRSA-N 0 3 298.347 -1.758 20 0 CAADHN CCCn1cc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)nn1 ZINC001482781351 892702745 /nfs/dbraw/zinc/70/27/45/892702745.db2.gz PVDUEQOMWKDZMU-DTWKUNHWSA-N 0 3 298.347 -1.758 20 0 CAADHN Cc1cc(=O)c(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)c[nH]1 ZINC001482783733 892702762 /nfs/dbraw/zinc/70/27/62/892702762.db2.gz VDOVCTUYGFNSSE-RKDXNWHRSA-N 0 3 296.327 -1.763 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1cc(Cl)no1)C(N)=O ZINC001482786242 892702775 /nfs/dbraw/zinc/70/27/75/892702775.db2.gz BIXSEQIGVOJRMS-PHDIDXHHSA-N 0 3 290.707 -1.118 20 0 CAADHN CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001482784014 892702821 /nfs/dbraw/zinc/70/28/21/892702821.db2.gz AGFFPQJBHVDETK-SECBINFHSA-N 0 3 298.347 -2.062 20 0 CAADHN O=C(Cc1nnc[n-]1)NC[C@@H](O)C[NH2+][C@@H]1CCNC1=O ZINC001482785104 892702903 /nfs/dbraw/zinc/70/29/03/892702903.db2.gz PZYBZBVAXCARRU-JGVFFNPUSA-N 0 3 282.304 -2.698 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)c1ccncn1 ZINC001482779638 892703069 /nfs/dbraw/zinc/70/30/69/892703069.db2.gz NUCJYVCGNNTFQZ-SECBINFHSA-N 0 3 281.316 -1.755 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)COc1ccccc1 ZINC001482789123 892704024 /nfs/dbraw/zinc/70/40/24/892704024.db2.gz SHLRYMGNPJZCFS-NSHDSACASA-N 0 3 295.339 -1.122 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NC[C@@H](O)CNCCF ZINC001482791697 892704572 /nfs/dbraw/zinc/70/45/72/892704572.db2.gz AXHKYXYJZKOKDG-ZETCQYMHSA-N 0 3 276.268 -2.426 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C(C)(C)C)C(=O)NC(N)=O ZINC001482789469 892704967 /nfs/dbraw/zinc/70/49/67/892704967.db2.gz XXFUXRQTBGTTFO-SFYZADRCSA-N 0 3 288.348 -1.317 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cn1cncn1)C(=O)N(C)C ZINC001482792131 892705180 /nfs/dbraw/zinc/70/51/80/892705180.db2.gz FFEJNXSLHQXAOX-ZJUUUORDSA-N 0 3 298.347 -2.179 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001482787727 892705272 /nfs/dbraw/zinc/70/52/72/892705272.db2.gz GCVIKRPIDAHSPQ-MNOVXSKESA-N 0 3 295.343 -1.735 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)COc1ccccc1 ZINC001482789122 892705307 /nfs/dbraw/zinc/70/53/07/892705307.db2.gz SHLRYMGNPJZCFS-LLVKDONJSA-N 0 3 295.339 -1.122 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cn1cncn1)C(=O)N(C)C ZINC001482792129 892705368 /nfs/dbraw/zinc/70/53/68/892705368.db2.gz FFEJNXSLHQXAOX-UWVGGRQHSA-N 0 3 298.347 -2.179 20 0 CAADHN Cc1nc[nH]c1CC(=O)NC[C@H](O)CN[C@@H](C)C(N)=O ZINC001482788989 892706167 /nfs/dbraw/zinc/70/61/67/892706167.db2.gz RMWGZTMUQUAKRP-DTWKUNHWSA-N 0 3 283.332 -1.799 20 0 CAADHN Cc1nccn1CC(=O)NC[C@@H](O)CNCC(N)=O ZINC001482791346 892706421 /nfs/dbraw/zinc/70/64/21/892706421.db2.gz AMFOKFLRZFIBQK-VIFPVBQESA-N 0 3 269.305 -2.256 20 0 CAADHN Cc1noc(C)c1CCC(=O)NC[C@@H](O)CNCC(N)=O ZINC001482790412 892706732 /nfs/dbraw/zinc/70/67/32/892706732.db2.gz BRPCGYQKEVFPOT-JTQLQIEISA-N 0 3 298.343 -1.224 20 0 CAADHN Cc1nnc(CNC[C@H](O)CNC(=O)CN2CCCC2)[nH]1 ZINC001482791970 892706852 /nfs/dbraw/zinc/70/68/52/892706852.db2.gz FTOJCUWINLKWQB-NSHDSACASA-N 0 3 296.375 -1.224 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NC[C@H](O)CNCCF ZINC001482794280 892706893 /nfs/dbraw/zinc/70/68/93/892706893.db2.gz WMYQOXNSJRBBEX-SECBINFHSA-N 0 3 284.353 -1.154 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](O)CNCc1nnnn1C ZINC001482798857 892707951 /nfs/dbraw/zinc/70/79/51/892707951.db2.gz KJVUOVBQQCVFDX-SNVBAGLBSA-N 0 3 299.379 -1.883 20 0 CAADHN NC(=O)c1ncccc1C(=O)NC[C@@H](O)CNCCF ZINC001482797283 892708201 /nfs/dbraw/zinc/70/82/01/892708201.db2.gz NAXYQHRTUVFUGF-QMMMGPOBSA-N 0 3 284.291 -1.170 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@@H](O)CNCCF ZINC001482799627 892708312 /nfs/dbraw/zinc/70/83/12/892708312.db2.gz RHXPBFZNHJFSCP-QMMMGPOBSA-N 0 3 270.326 -1.543 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NC[C@@H](O)CNCCF ZINC001482794281 892708786 /nfs/dbraw/zinc/70/87/86/892708786.db2.gz WMYQOXNSJRBBEX-VIFPVBQESA-N 0 3 284.353 -1.154 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@H](O)CNCC(N)=O)C1 ZINC001482797449 892709540 /nfs/dbraw/zinc/70/95/40/892709540.db2.gz QELUMMURCMRITP-ZJUUUORDSA-N 0 3 288.348 -2.741 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)NC[C@@H](O)CNCCF ZINC001482794752 892709569 /nfs/dbraw/zinc/70/95/69/892709569.db2.gz ZNXRXLWEYDLZSC-RYUDHWBXSA-N 0 3 291.367 -1.009 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCc1cnn(C)c1 ZINC001482800142 892709749 /nfs/dbraw/zinc/70/97/49/892709749.db2.gz UFQCVWXBBNCSRW-NSHDSACASA-N 0 3 297.359 -1.835 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)Cc2ccc[nH]2)C1=O ZINC001482796937 892710234 /nfs/dbraw/zinc/71/02/34/892710234.db2.gz GZUBIZDCYWTVCF-NWDGAFQWSA-N 0 3 294.355 -1.145 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CNC(=O)Cn1ccnc1 ZINC001482798340 892710263 /nfs/dbraw/zinc/71/02/63/892710263.db2.gz BZECDZMHPMODSQ-JTQLQIEISA-N 0 3 283.332 -1.962 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)c1cn[nH]n1 ZINC001482933796 892714486 /nfs/dbraw/zinc/71/44/86/892714486.db2.gz GKYQYPXWWRPPQG-QMMMGPOBSA-N 0 3 268.321 -1.009 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)C[C@H]1CCN(C)C1=O ZINC001482932560 892714668 /nfs/dbraw/zinc/71/46/68/892714668.db2.gz KDCPIFXNGSXYPP-SNVBAGLBSA-N 0 3 284.360 -1.222 20 0 CAADHN CCNC(=O)CNCCN(CC)C(=O)[C@H]1COC(=O)N1 ZINC001482922352 892714756 /nfs/dbraw/zinc/71/47/56/892714756.db2.gz QNRHCYJMUJIPGN-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)CNC(=O)NC)C(N)=O ZINC001482928352 892714830 /nfs/dbraw/zinc/71/48/30/892714830.db2.gz RWYHJPAPVJHKHL-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)Cn1ncnn1 ZINC001482924893 892715053 /nfs/dbraw/zinc/71/50/53/892715053.db2.gz LCLMYHMCMDKMIB-JTQLQIEISA-N 0 3 297.363 -1.412 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)CCn1cncn1 ZINC001482911312 892715092 /nfs/dbraw/zinc/71/50/92/892715092.db2.gz QYPWHGKXWBSWOW-SNVBAGLBSA-N 0 3 282.348 -1.020 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1COC(=O)N1 ZINC001482921549 892715163 /nfs/dbraw/zinc/71/51/63/892715163.db2.gz BCXAYSLEQDVUII-ZETCQYMHSA-N 0 3 258.278 -1.982 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)c1ncn(C)n1 ZINC001482921923 892715560 /nfs/dbraw/zinc/71/55/60/892715560.db2.gz KLCSNKXWOFIMLN-UHFFFAOYSA-N 0 3 268.321 -1.387 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1ccc2n[nH]nc2n1 ZINC001482928914 892715768 /nfs/dbraw/zinc/71/57/68/892715768.db2.gz XRUCRSFVUPZMSP-UHFFFAOYSA-N 0 3 291.315 -1.110 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)c1ncn(C)n1 ZINC001482923553 892715818 /nfs/dbraw/zinc/71/58/18/892715818.db2.gz XGIAHABAVKXKHH-QMMMGPOBSA-N 0 3 268.321 -1.259 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)C[C@@H]1CCN(C)C1=O ZINC001482932559 892715863 /nfs/dbraw/zinc/71/58/63/892715863.db2.gz KDCPIFXNGSXYPP-JTQLQIEISA-N 0 3 284.360 -1.222 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1COC(=O)N1 ZINC001482922360 892716380 /nfs/dbraw/zinc/71/63/80/892716380.db2.gz QSWQFNKUKSBERL-DTWKUNHWSA-N 0 3 284.316 -1.579 20 0 CAADHN CCN(CCNCCF)C(=O)CS(=O)(=O)NC ZINC001482968264 892717401 /nfs/dbraw/zinc/71/74/01/892717401.db2.gz DXJUSOIRLMALCQ-UHFFFAOYSA-N 0 3 269.342 -1.057 20 0 CAADHN CN1CC[C@H](NC/C=C\CNC(=O)Cn2cnnn2)C1=O ZINC001482982156 892717765 /nfs/dbraw/zinc/71/77/65/892717765.db2.gz NSLOWOIBBCWCQG-ZMWSMAPVSA-N 0 3 293.331 -1.834 20 0 CAADHN CCN(CCN[C@@H]1CCCNC1=O)C(=O)C(N)=O ZINC001482949495 892717802 /nfs/dbraw/zinc/71/78/02/892717802.db2.gz OGLNQLQSCFYORJ-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN CCN(CCNCC(=O)NC1CC1)C(=O)[C@H]1CCNC1=O ZINC001482943617 892718780 /nfs/dbraw/zinc/71/87/80/892718780.db2.gz KJJBQWURTAXSNP-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)CN1CCNC(=O)C1 ZINC001482943017 892719754 /nfs/dbraw/zinc/71/97/54/892719754.db2.gz BPAWVPYZHUMACM-UHFFFAOYSA-N 0 3 299.375 -2.398 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@@H]1CCC(=O)NC1)C(N)=O ZINC001483028439 892721108 /nfs/dbraw/zinc/72/11/08/892721108.db2.gz OXQLFJMKXLLMNO-YLBDSCSXSA-N 0 3 282.344 -1.352 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C\CNC(=O)c1cnnn1C ZINC001483002173 892721121 /nfs/dbraw/zinc/72/11/21/892721121.db2.gz FDTCXEKKAMHXER-XRVBUDJMSA-N 0 3 280.332 -1.175 20 0 CAADHN CNC(=O)NCC(=O)NC/C=C/CN[C@@H](C)C(=O)N(C)C ZINC001483017271 892721200 /nfs/dbraw/zinc/72/12/00/892721200.db2.gz UPRXXYTUWHLBND-PORFMDCZSA-N 0 3 299.375 -1.346 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)C[C@@H](C)NC(N)=O ZINC001483009050 892721333 /nfs/dbraw/zinc/72/13/33/892721333.db2.gz BXWZYTZOSNUXSM-OOMSKYPHSA-N 0 3 299.375 -1.170 20 0 CAADHN CCNC(=O)CC(=O)NC/C=C\CN[C@H](C)C(N)=O ZINC001482999364 892721358 /nfs/dbraw/zinc/72/13/58/892721358.db2.gz JCBAHFCBAHPCIO-XRVBUDJMSA-N 0 3 270.333 -1.352 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@H]1CCC(=O)NC1)C(N)=O ZINC001483028436 892721366 /nfs/dbraw/zinc/72/13/66/892721366.db2.gz OXQLFJMKXLLMNO-AQHVTNBVSA-N 0 3 282.344 -1.352 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@H]1CN(C)CCO1 ZINC001482991811 892721625 /nfs/dbraw/zinc/72/16/25/892721625.db2.gz CKFWJDQBXAOXTN-RUULKOMLSA-N 0 3 298.387 -1.287 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)c1cnnn1C ZINC001483002170 892722100 /nfs/dbraw/zinc/72/21/00/892722100.db2.gz FDTCXEKKAMHXER-WBSSQXGSSA-N 0 3 280.332 -1.175 20 0 CAADHN CNC(=O)NCC(=O)NC/C=C/CN[C@H](C)C(=O)N(C)C ZINC001483017263 892722290 /nfs/dbraw/zinc/72/22/90/892722290.db2.gz UPRXXYTUWHLBND-BRAIEQGRSA-N 0 3 299.375 -1.346 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)c1cn[nH]c(=O)c1)C(N)=O ZINC001483021846 892722371 /nfs/dbraw/zinc/72/23/71/892722371.db2.gz BTVBDDNBMUCTSX-UFUPEUMYSA-N 0 3 279.300 -1.068 20 0 CAADHN CNC(=O)NCC(=O)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001483015137 892722730 /nfs/dbraw/zinc/72/27/30/892722730.db2.gz FCVKYVLJJDXEMS-MXQLGCADSA-N 0 3 297.359 -1.544 20 0 CAADHN CCNC(=O)CC(=O)NC/C=C/CN[C@@H](C)C(N)=O ZINC001482999361 892722925 /nfs/dbraw/zinc/72/29/25/892722925.db2.gz JCBAHFCBAHPCIO-MOVJSRMASA-N 0 3 270.333 -1.352 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)C[C@H](C)NC(N)=O ZINC001483009049 892722940 /nfs/dbraw/zinc/72/29/40/892722940.db2.gz BXWZYTZOSNUXSM-NDVXOHMPSA-N 0 3 299.375 -1.170 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)c1cnnn1C ZINC001483002168 892722962 /nfs/dbraw/zinc/72/29/62/892722962.db2.gz FDTCXEKKAMHXER-MOVJSRMASA-N 0 3 280.332 -1.175 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)c1ncn(C)n1)C(N)=O ZINC001483004579 892723014 /nfs/dbraw/zinc/72/30/14/892723014.db2.gz SOHDHTNBMYNNEY-TUUFMJSCSA-N 0 3 266.305 -1.436 20 0 CAADHN CCNC(=O)CC(=O)NC/C=C/CN[C@H](C)C(N)=O ZINC001482999363 892723097 /nfs/dbraw/zinc/72/30/97/892723097.db2.gz JCBAHFCBAHPCIO-XNPJLODASA-N 0 3 270.333 -1.352 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CNCC(=O)NCC(C)C ZINC001483105538 892727613 /nfs/dbraw/zinc/72/76/13/892727613.db2.gz YVTBAEAXFOZXDK-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CNCC(=O)N1CCCC1 ZINC001483105343 892727742 /nfs/dbraw/zinc/72/77/42/892727742.db2.gz PASGVAFNFYFFDZ-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(C)OCC(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001483112540 892728370 /nfs/dbraw/zinc/72/83/70/892728370.db2.gz RDGBPPOOQQPXPK-MRVPVSSYSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)Cn1cnnn1 ZINC001483107797 892729123 /nfs/dbraw/zinc/72/91/23/892729123.db2.gz LPPLNOSYTBWYHQ-SECBINFHSA-N 0 3 295.347 -1.706 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1cnn(C)c1 ZINC001483108257 892729243 /nfs/dbraw/zinc/72/92/43/892729243.db2.gz CDIBABBYDZRLEA-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CS(C)(=O)=O)C(N)=O ZINC001483112261 892729731 /nfs/dbraw/zinc/72/97/31/892729731.db2.gz MJQWCZNPNGWBIS-HTQZYQBOSA-N 0 3 279.362 -1.611 20 0 CAADHN CO[C@@H](C)C(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001483112217 892729845 /nfs/dbraw/zinc/72/98/45/892729845.db2.gz FQEUCCVUBVUKQC-SFYZADRCSA-N 0 3 271.321 -1.262 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1cc[n+]([O-])cc1 ZINC001483106671 892730021 /nfs/dbraw/zinc/73/00/21/892730021.db2.gz TYLYBRSTOQJHAW-KOLCDFICSA-N 0 3 278.312 -1.084 20 0 CAADHN NC(=O)NC(=O)CNC/C=C/CNC(=O)Cn1ccnc1 ZINC001483100429 892730040 /nfs/dbraw/zinc/73/00/40/892730040.db2.gz HCBWHBGJTXUTJK-OWOJBTEDSA-N 0 3 294.315 -1.660 20 0 CAADHN COCC(=O)N[C@H](C)CNCc1cc(=O)n(C)c(=O)n1C ZINC001483102421 892730108 /nfs/dbraw/zinc/73/01/08/892730108.db2.gz HHPWQKJLEVGJSF-SECBINFHSA-N 0 3 298.343 -1.675 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)C1=COCCO1 ZINC001483106587 892730202 /nfs/dbraw/zinc/73/02/02/892730202.db2.gz SEYNWZJVRTWYOI-HTQZYQBOSA-N 0 3 257.290 -1.157 20 0 CAADHN COCC(=O)N[C@H](C)CNCCN1CCCS1(=O)=O ZINC001483103894 892730593 /nfs/dbraw/zinc/73/05/93/892730593.db2.gz UZHLGTMAMKPSRD-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1ncn(C)n1 ZINC001483125099 892731617 /nfs/dbraw/zinc/73/16/17/892731617.db2.gz GRZKIPVNIFOQSO-SFYZADRCSA-N 0 3 266.305 -1.589 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001483135359 892731730 /nfs/dbraw/zinc/73/17/30/892731730.db2.gz ATHCFWFZFZDLKQ-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)CO[C@H]1CCOC1 ZINC001483127589 892732303 /nfs/dbraw/zinc/73/23/03/892732303.db2.gz UPSPJIQMEYIOGX-BDAKNGLRSA-N 0 3 259.306 -1.629 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)C1CN(C(C)=O)C1)C(N)=O ZINC001483122528 892732357 /nfs/dbraw/zinc/73/23/57/892732357.db2.gz JTCWLNQMQMSHIB-LDYMZIIASA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCCNC1=O ZINC001483138257 892732382 /nfs/dbraw/zinc/73/23/82/892732382.db2.gz KCICRQBJPHXNTJ-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1COC(=O)N1 ZINC001483124403 892732464 /nfs/dbraw/zinc/73/24/64/892732464.db2.gz IZYAUYMWNBGIHN-RNFRBKRXSA-N 0 3 298.303 -2.189 20 0 CAADHN C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)[C@@H]1COC(=O)N1 ZINC001483124948 892732652 /nfs/dbraw/zinc/73/26/52/892732652.db2.gz ZSGDBJSNZZITCE-SCZZXKLOSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CN1CCOCC1 ZINC001483122022 892732788 /nfs/dbraw/zinc/73/27/88/892732788.db2.gz QVZSMBFBAVMDRB-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1ncn(C)n1 ZINC001483125098 892733046 /nfs/dbraw/zinc/73/30/46/892733046.db2.gz GRZKIPVNIFOQSO-HTQZYQBOSA-N 0 3 266.305 -1.589 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)c1ccnn1C ZINC001483114688 892733241 /nfs/dbraw/zinc/73/32/41/892733241.db2.gz RLUWQFWDHSUSGY-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)C1=CCOCC1 ZINC001483122650 892733298 /nfs/dbraw/zinc/73/32/98/892733298.db2.gz DGQQHZDOGYRLCG-MRVPVSSYSA-N 0 3 284.316 -1.378 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1ncn(C)n1 ZINC001483125734 892733425 /nfs/dbraw/zinc/73/34/25/892733425.db2.gz SBSMFVRJGZZUSF-RQJHMYQMSA-N 0 3 254.294 -1.603 20 0 CAADHN C[C@H](CNCCS(C)(=O)=O)NC(=O)c1ncn(C)n1 ZINC001483125325 892733638 /nfs/dbraw/zinc/73/36/38/892733638.db2.gz LSDJBEKYRQVRIL-MRVPVSSYSA-N 0 3 289.361 -1.432 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001483135358 892733656 /nfs/dbraw/zinc/73/36/56/892733656.db2.gz ATHCFWFZFZDLKQ-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)[C@@H]2COC(=O)N2)n[nH]1 ZINC001483124058 892733777 /nfs/dbraw/zinc/73/37/77/892733777.db2.gz DKYGVXHJXLRJMD-SVRRBLITSA-N 0 3 282.304 -1.184 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1nnn(C)c1C ZINC001483117381 892733818 /nfs/dbraw/zinc/73/38/18/892733818.db2.gz DLTRVOMNHQNROC-SSDOTTSWSA-N 0 3 268.321 -1.423 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ccnn1C ZINC001483114689 892733850 /nfs/dbraw/zinc/73/38/50/892733850.db2.gz RLUWQFWDHSUSGY-SFYZADRCSA-N 0 3 296.331 -1.289 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](C)CN[C@@H]1CCCNC1=O ZINC001483126129 892733876 /nfs/dbraw/zinc/73/38/76/892733876.db2.gz YWJZFSHIEUWFER-NXEZZACHSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001483124404 892734005 /nfs/dbraw/zinc/73/40/05/892734005.db2.gz IZYAUYMWNBGIHN-RQJHMYQMSA-N 0 3 298.303 -2.189 20 0 CAADHN CCCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001483161933 892735253 /nfs/dbraw/zinc/73/52/53/892735253.db2.gz GJSYEKKCONCWBG-NXEZZACHSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)C1(C(N)=O)CC1 ZINC001483163279 892735600 /nfs/dbraw/zinc/73/56/00/892735600.db2.gz GCFRNHRIBAACCF-MRVPVSSYSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001483161381 892735690 /nfs/dbraw/zinc/73/56/90/892735690.db2.gz FZEIZCZINXHSAZ-ZCFIWIBFSA-N 0 3 253.262 -2.037 20 0 CAADHN CC[C@@H](C)NC(=O)CNC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001483158835 892735759 /nfs/dbraw/zinc/73/57/59/892735759.db2.gz BWCRXQDRZKGEMK-RKDXNWHRSA-N 0 3 297.363 -1.167 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cn[nH]c(=O)c1 ZINC001483138576 892735788 /nfs/dbraw/zinc/73/57/88/892735788.db2.gz PAPSVOXTMQMZIF-SSDOTTSWSA-N 0 3 267.289 -1.364 20 0 CAADHN C[C@H](CNCc1cncn1C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001483162362 892735992 /nfs/dbraw/zinc/73/59/92/892735992.db2.gz OTYPGOHQFYPCSI-SCZZXKLOSA-N 0 3 280.332 -1.304 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@]1(C)CCNC1=O ZINC001483165085 892736196 /nfs/dbraw/zinc/73/61/96/892736196.db2.gz BAZDYDVOKJPVBU-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC ZINC001483143266 892736210 /nfs/dbraw/zinc/73/62/10/892736210.db2.gz SZCDMDCTCPGLRG-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccc2nnnn2c1 ZINC001483150580 892736396 /nfs/dbraw/zinc/73/63/96/892736396.db2.gz ZXKVTXGIUNZLIH-SFYZADRCSA-N 0 3 291.315 -1.294 20 0 CAADHN Cc1nc(CNC[C@@H](C)NC(=O)C2(C(N)=O)CC2)n[nH]1 ZINC001483163225 892736621 /nfs/dbraw/zinc/73/66/21/892736621.db2.gz DEVZNEYJFSDBEE-SSDOTTSWSA-N 0 3 280.332 -1.027 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001483162701 892736694 /nfs/dbraw/zinc/73/66/94/892736694.db2.gz VVXRUJIOUNDPRM-RNFRBKRXSA-N 0 3 257.294 -2.492 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)Cn1ncn(C)c1=O ZINC001483144012 892736714 /nfs/dbraw/zinc/73/67/14/892736714.db2.gz ZXWIGCGYIGZEDH-MRVPVSSYSA-N 0 3 284.320 -2.578 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001483160455 892736787 /nfs/dbraw/zinc/73/67/87/892736787.db2.gz WQYBFGAUGJOSDM-RNFRBKRXSA-N 0 3 269.309 -1.948 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001483164693 892737060 /nfs/dbraw/zinc/73/70/60/892737060.db2.gz MSEIKIKGYDDTOJ-RWYTXXIDSA-N 0 3 270.333 -1.377 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1c[nH]c(=O)cn1 ZINC001483161997 892737233 /nfs/dbraw/zinc/73/72/33/892737233.db2.gz XJRWBBLNMSRVSV-SFYZADRCSA-N 0 3 281.316 -1.388 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001483162217 892737356 /nfs/dbraw/zinc/73/73/56/892737356.db2.gz MVFUNXZYAPBULW-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CC1CS(=O)(=O)C1 ZINC001483145421 892737522 /nfs/dbraw/zinc/73/75/22/892737522.db2.gz YXTNSQGKFCFZQJ-SFYZADRCSA-N 0 3 291.373 -1.611 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)N[C@H](C)C[NH2+]CC(N)=O ZINC001483158644 892737548 /nfs/dbraw/zinc/73/75/48/892737548.db2.gz ARBHVEJAPXKRKG-ZCFIWIBFSA-N 0 3 267.289 -1.316 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)COCc1ccnn1C ZINC001483140826 892737937 /nfs/dbraw/zinc/73/79/37/892737937.db2.gz JRURRNRQTFGDMB-ZJUUUORDSA-N 0 3 297.359 -1.095 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)COC ZINC001483202011 892738835 /nfs/dbraw/zinc/73/88/35/892738835.db2.gz FNERXCQZOVGWDG-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CCN1CCCC1=O ZINC001483195998 892739202 /nfs/dbraw/zinc/73/92/02/892739202.db2.gz BNKCGGPYIJFQPB-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC(=O)N1 ZINC001483186596 892739322 /nfs/dbraw/zinc/73/93/22/892739322.db2.gz NCDHEOIFCPITNI-ZJUUUORDSA-N 0 3 284.360 -1.116 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)c1ccncn1 ZINC001483176911 892739378 /nfs/dbraw/zinc/73/93/78/892739378.db2.gz DGUBISMTQBANHF-SFYZADRCSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@H](CNCc1nnnn1C)NC(=O)Cc1cnc[nH]1 ZINC001483170445 892739401 /nfs/dbraw/zinc/73/94/01/892739401.db2.gz IDAAHHWDEOKUHE-MRVPVSSYSA-N 0 3 278.320 -1.230 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C(=O)NCC1CC1 ZINC001483177859 892739425 /nfs/dbraw/zinc/73/94/25/892739425.db2.gz BMAZUZHPGQOCCV-PSASIEDQSA-N 0 3 282.344 -1.505 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CCNC(N)=O ZINC001483192704 892739436 /nfs/dbraw/zinc/73/94/36/892739436.db2.gz YSMQGDVZCOLZPP-MRVPVSSYSA-N 0 3 273.337 -1.773 20 0 CAADHN CCS(=O)(=O)CC(=O)N[C@H](C)CNCC(N)=O ZINC001483197473 892740157 /nfs/dbraw/zinc/74/01/57/892740157.db2.gz KRCFAAOFVZUFFE-SSDOTTSWSA-N 0 3 265.335 -1.999 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cn(C)c(=O)n1C ZINC001483199038 892739917 /nfs/dbraw/zinc/73/99/17/892739917.db2.gz QKZFFSGEKFKFQU-HTQZYQBOSA-N 0 3 283.332 -1.695 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)Cn1ccc(C)cc1=O ZINC001483171461 892740638 /nfs/dbraw/zinc/74/06/38/892740638.db2.gz UKRUJKRZZHVLND-LLVKDONJSA-N 0 3 294.355 -1.003 20 0 CAADHN C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)Cc1nnc[n-]1 ZINC001483182472 892740854 /nfs/dbraw/zinc/74/08/54/892740854.db2.gz AGHXVKNIUCJLHF-SFYZADRCSA-N 0 3 294.315 -1.753 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)CCn1cnnn1 ZINC001483177528 892741016 /nfs/dbraw/zinc/74/10/16/892741016.db2.gz CMJWOBHDEREEJW-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)Cn1cncn1)C(N)=O ZINC001483191647 892741125 /nfs/dbraw/zinc/74/11/25/892741125.db2.gz JZGSYGPNDWKGJS-BDAKNGLRSA-N 0 3 268.321 -1.364 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001483192064 892741139 /nfs/dbraw/zinc/74/11/39/892741139.db2.gz BDZXMGSAOILFFG-MRVPVSSYSA-N 0 3 299.331 -2.279 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)CCCC(N)=O ZINC001483199698 892741335 /nfs/dbraw/zinc/74/13/35/892741335.db2.gz RYBTXUXCQDWQEX-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN COC(=O)NCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)N(C)C ZINC001483211337 892742290 /nfs/dbraw/zinc/74/22/90/892742290.db2.gz IKOABYGZARORDX-IUCAKERBSA-N 0 3 288.348 -1.087 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)c1cnnn1C)C(N)=O ZINC001483223970 892743373 /nfs/dbraw/zinc/74/33/73/892743373.db2.gz CNQAVGZOYLPUJB-JGVFFNPUSA-N 0 3 268.321 -1.213 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)[C@H](C)NC(N)=O)C(=O)N(C)C ZINC001483222534 892743457 /nfs/dbraw/zinc/74/34/57/892743457.db2.gz ZYGGFNNJTBTGIY-XHNCKOQMSA-N 0 3 287.364 -1.386 20 0 CAADHN CCOCCC(=O)N[C@@H](C)CNCC(=O)NC(=O)NC ZINC001483212805 892743618 /nfs/dbraw/zinc/74/36/18/892743618.db2.gz DKRIHOJVJSORCN-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@H](C)NC(N)=O ZINC001483227218 892744254 /nfs/dbraw/zinc/74/42/54/892744254.db2.gz XKTILZGDFURAMJ-BQBZGAKWSA-N 0 3 259.310 -1.987 20 0 CAADHN C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)c1cnnn1C ZINC001483224734 892744771 /nfs/dbraw/zinc/74/47/71/892744771.db2.gz QQAKZUADABHSJI-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001483225628 892744863 /nfs/dbraw/zinc/74/48/63/892744863.db2.gz MTKNBDYXKZJTPN-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CN[C@@H](CC)C(N)=O ZINC001483214622 892745373 /nfs/dbraw/zinc/74/53/73/892745373.db2.gz DOQGCRPGQVMNOZ-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)c1ncc[nH]1 ZINC001483224284 892745446 /nfs/dbraw/zinc/74/54/46/892745446.db2.gz FVCKFLBNTZWUBF-YUMQZZPRSA-N 0 3 296.331 -1.038 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cncn1C ZINC001483244978 892746445 /nfs/dbraw/zinc/74/64/45/892746445.db2.gz ITZOLLYLGDWIEG-IUCAKERBSA-N 0 3 293.327 -1.067 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CCN(C)C1=O ZINC001483258550 892746513 /nfs/dbraw/zinc/74/65/13/892746513.db2.gz TWVHBTMCTUMODJ-ONGXEEELSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCNC(=O)C1 ZINC001483255375 892746534 /nfs/dbraw/zinc/74/65/34/892746534.db2.gz QCFROAOVNRSKPX-IUCAKERBSA-N 0 3 285.348 -2.614 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1ccc(C(N)=O)o1 ZINC001483246304 892746627 /nfs/dbraw/zinc/74/66/27/892746627.db2.gz MCOZTFFIESWKGH-YUMQZZPRSA-N 0 3 294.311 -1.025 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001483232459 892746740 /nfs/dbraw/zinc/74/67/40/892746740.db2.gz DISCWMQZYODHET-YUMQZZPRSA-N 0 3 256.306 -1.956 20 0 CAADHN C[C@@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCNC1=O ZINC001483255502 892747333 /nfs/dbraw/zinc/74/73/33/892747333.db2.gz RQFXXTAXJPXTRM-JGVFFNPUSA-N 0 3 296.331 -2.161 20 0 CAADHN CCCNC(=O)CNC[C@H](C)NC(=O)c1nnn(C)n1 ZINC001483258061 892747878 /nfs/dbraw/zinc/74/78/78/892747878.db2.gz XTBPVYAFJMBQPR-QMMMGPOBSA-N 0 3 283.336 -1.556 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCN1C(=O)CCC1=O ZINC001483246983 892747753 /nfs/dbraw/zinc/74/77/53/892747753.db2.gz QCQDNPDRZZZPIY-VIFPVBQESA-N 0 3 298.343 -1.634 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC001483233286 892747846 /nfs/dbraw/zinc/74/78/46/892747846.db2.gz QSYZBXHCICTPGA-QMMMGPOBSA-N 0 3 297.315 -2.873 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)C[C@@H]1CCNC1=O ZINC001483234374 892748070 /nfs/dbraw/zinc/74/80/70/892748070.db2.gz QORSRTMVUDAQGJ-UWVGGRQHSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1CCN(C)C1=O ZINC001483258549 892748635 /nfs/dbraw/zinc/74/86/35/892748635.db2.gz TWVHBTMCTUMODJ-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001483257542 892748782 /nfs/dbraw/zinc/74/87/82/892748782.db2.gz DNHQONPYCWNHTQ-GARJFASQSA-N 0 3 296.371 -1.068 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1c[nH]c(=O)n1C ZINC001483254747 892748811 /nfs/dbraw/zinc/74/88/11/892748811.db2.gz JHSYZACWZUALCV-QMMMGPOBSA-N 0 3 283.332 -1.030 20 0 CAADHN Cc1nc(CNC[C@H](C)NC(=O)c2nnn(C)n2)n[nH]1 ZINC001483258176 892748982 /nfs/dbraw/zinc/74/89/82/892748982.db2.gz XZFCKOTWKHNRKZ-LURJTMIESA-N 0 3 279.308 -1.455 20 0 CAADHN COCCn1ccc(C(=O)N[C@@H](C)CNCC(N)=O)n1 ZINC001483247451 892749003 /nfs/dbraw/zinc/74/90/03/892749003.db2.gz JCSLZGVTUCDXOO-VIFPVBQESA-N 0 3 283.332 -1.277 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CN1CCCNC1=O ZINC001483244627 892749314 /nfs/dbraw/zinc/74/93/14/892749314.db2.gz WAJSMPOPJWFKNP-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCc1ncccn1 ZINC001483276375 892750955 /nfs/dbraw/zinc/75/09/55/892750955.db2.gz PMRJWEKCDRTGHB-VIFPVBQESA-N 0 3 265.317 -1.011 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001483265375 892751030 /nfs/dbraw/zinc/75/10/30/892751030.db2.gz TUEXFTJXPSNFAB-BIIVOSGPSA-N 0 3 272.305 -2.401 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001483262972 892751101 /nfs/dbraw/zinc/75/11/01/892751101.db2.gz MSEIKIKGYDDTOJ-UBJUHAIHSA-N 0 3 270.333 -1.377 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](C)CN[C@H](C)C(N)=O)CC1 ZINC001483275671 892751266 /nfs/dbraw/zinc/75/12/66/892751266.db2.gz ZGXGZNOFYLMJKL-JGVFFNPUSA-N 0 3 270.333 -1.519 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)C1(C(N)=O)CC1 ZINC001483262071 892751347 /nfs/dbraw/zinc/75/13/47/892751347.db2.gz HZZFLEIMWYTBNH-IUCAKERBSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CCCS(C)(=O)=O ZINC001483274370 892751424 /nfs/dbraw/zinc/75/14/24/892751424.db2.gz XYCYGNPKBOBRNC-QMMMGPOBSA-N 0 3 279.362 -1.609 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CS(=O)(=O)C(C)(C)C ZINC001483283482 892751444 /nfs/dbraw/zinc/75/14/44/892751444.db2.gz QNSMJFLMSAWMDX-QMMMGPOBSA-N 0 3 293.389 -1.221 20 0 CAADHN C[C@@H]([NH2+]C[C@H](C)NC(=O)Cc1nnc[n-]1)C(=O)N(C)C ZINC001483282914 892751863 /nfs/dbraw/zinc/75/18/63/892751863.db2.gz CUQXPRUASKYVPD-DTWKUNHWSA-N 0 3 282.348 -1.082 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001483277893 892752030 /nfs/dbraw/zinc/75/20/30/892752030.db2.gz JWESYFOEYKCSMN-CBAPKCEASA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cccc(=O)n1C ZINC001483265839 892752269 /nfs/dbraw/zinc/75/22/69/892752269.db2.gz SEZOFEQFODEDQA-UWVGGRQHSA-N 0 3 292.339 -1.018 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CN1C(=O)CN(C)C1=O ZINC001483289854 892752464 /nfs/dbraw/zinc/75/24/64/892752464.db2.gz BDZXMGSAOILFFG-QMMMGPOBSA-N 0 3 299.331 -2.279 20 0 CAADHN C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)Cc1nnc[n-]1 ZINC001483282800 892752529 /nfs/dbraw/zinc/75/25/29/892752529.db2.gz AGHXVKNIUCJLHF-YUMQZZPRSA-N 0 3 294.315 -1.753 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001483266513 892752839 /nfs/dbraw/zinc/75/28/39/892752839.db2.gz NIKSYQLLIYONSB-AEJSXWLSSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)CNS(=O)(=O)N(C)C ZINC001483269065 892753094 /nfs/dbraw/zinc/75/30/94/892753094.db2.gz BASPONTWCWSLHD-ZETCQYMHSA-N 0 3 295.365 -3.038 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)CNC(=O)C1CC1 ZINC001483313513 892754480 /nfs/dbraw/zinc/75/44/80/892754480.db2.gz OVYJBXQWOLSUEQ-SECBINFHSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)Cc1ccc[nH]1 ZINC001483295353 892754564 /nfs/dbraw/zinc/75/45/64/892754564.db2.gz NCCQKDIXBGRHIZ-QMMMGPOBSA-N 0 3 281.316 -1.154 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)CCNC(N)=O ZINC001483292382 892755066 /nfs/dbraw/zinc/75/50/66/892755066.db2.gz KFZSWOAKLVSGTD-YUMQZZPRSA-N 0 3 273.337 -1.726 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCN1CCCC1=O ZINC001483292972 892755335 /nfs/dbraw/zinc/75/53/35/892755335.db2.gz GZTPRAJSNRKUIH-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001483299692 892755351 /nfs/dbraw/zinc/75/53/51/892755351.db2.gz HPSHKLYAFPYEDX-GUBZILKMSA-N 0 3 299.375 -1.112 20 0 CAADHN CC(=O)N[C@@H](C)CN(C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001483303349 892755479 /nfs/dbraw/zinc/75/54/79/892755479.db2.gz OHMJSOINONLMOI-GXSJLCMTSA-N 0 3 285.344 -1.047 20 0 CAADHN CC(=O)N[C@H](C)CN(C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001483303351 892756187 /nfs/dbraw/zinc/75/61/87/892756187.db2.gz OHMJSOINONLMOI-MWLCHTKSSA-N 0 3 285.344 -1.047 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)Cn1cnnn1 ZINC001483311001 892757278 /nfs/dbraw/zinc/75/72/78/892757278.db2.gz MDPJWHRHVUICDO-SECBINFHSA-N 0 3 256.310 -1.244 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001483299691 892757298 /nfs/dbraw/zinc/75/72/98/892757298.db2.gz HPSHKLYAFPYEDX-AEJSXWLSSA-N 0 3 299.375 -1.112 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001483383246 892759525 /nfs/dbraw/zinc/75/95/25/892759525.db2.gz VMASLQFIGRRBIW-ZJUUUORDSA-N 0 3 287.360 -1.304 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@@H]1CCN(C)C1=O ZINC001483373665 892760834 /nfs/dbraw/zinc/76/08/34/892760834.db2.gz DKNQWNBOUQCUNN-ZJUUUORDSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)[C@@H]1CCN(C)C1=O ZINC001483373663 892761394 /nfs/dbraw/zinc/76/13/94/892761394.db2.gz DKNQWNBOUQCUNN-UWVGGRQHSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@H](CN(C)[C@H](C)C(N)=O)NC(=O)Cc1nnc[nH]1 ZINC001483406047 892761772 /nfs/dbraw/zinc/76/17/72/892761772.db2.gz PTUDMHGIOONUGC-HTQZYQBOSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@H](CN(C)CCO)NC(=O)[C@H]1CCN(C)C1=O ZINC001483373662 892762122 /nfs/dbraw/zinc/76/21/22/892762122.db2.gz DKNQWNBOUQCUNN-NXEZZACHSA-N 0 3 257.334 -1.107 20 0 CAADHN COCCN(C)C[C@@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001483416180 892764632 /nfs/dbraw/zinc/76/46/32/892764632.db2.gz SWTDRSZHWLWMCZ-SNVBAGLBSA-N 0 3 295.405 -1.039 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001483542259 892766786 /nfs/dbraw/zinc/76/67/86/892766786.db2.gz XVUNWPIAZMPUEG-QWRGUYRKSA-N 0 3 282.344 -1.505 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](NC(C)=O)C1CC1 ZINC001483534737 892766843 /nfs/dbraw/zinc/76/68/43/892766843.db2.gz DBXOGWGIYVLKRJ-SECBINFHSA-N 0 3 256.306 -1.054 20 0 CAADHN C[C@H](NC[C@H](NC(=O)CN1CCCC1=O)C1CC1)C(N)=O ZINC001483543551 892766889 /nfs/dbraw/zinc/76/68/89/892766889.db2.gz UVMHFHKHDJODQX-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)CN1CCCC1=O)C1CC1)C(N)=O ZINC001483543550 892767238 /nfs/dbraw/zinc/76/72/38/892767238.db2.gz UVMHFHKHDJODQX-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001483542258 892767278 /nfs/dbraw/zinc/76/72/78/892767278.db2.gz XVUNWPIAZMPUEG-MNOVXSKESA-N 0 3 282.344 -1.505 20 0 CAADHN CC(=O)NCC(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001483542257 892767505 /nfs/dbraw/zinc/76/75/05/892767505.db2.gz XVUNWPIAZMPUEG-GHMZBOCLSA-N 0 3 282.344 -1.505 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](NC(C)=O)C1CC1 ZINC001483534738 892767652 /nfs/dbraw/zinc/76/76/52/892767652.db2.gz DBXOGWGIYVLKRJ-VIFPVBQESA-N 0 3 256.306 -1.054 20 0 CAADHN NC(=O)C(=O)N[C@@H](CN[C@@H]1CCCNC1=O)C1CC1 ZINC001483584036 892768669 /nfs/dbraw/zinc/76/86/69/892768669.db2.gz SPSHIAQXNYNBNJ-BDAKNGLRSA-N 0 3 268.317 -1.765 20 0 CAADHN NC(=O)C(=O)N[C@H](CNCC(=O)N1CCCCC1)C1CC1 ZINC001483583776 892768707 /nfs/dbraw/zinc/76/87/07/892768707.db2.gz PSFDAJBLQZJDMT-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)c1cn(C)c(=O)[nH]1)C1CC1 ZINC001483584967 892768799 /nfs/dbraw/zinc/76/87/99/892768799.db2.gz BEZJENFFXGILKJ-VIFPVBQESA-N 0 3 295.343 -1.030 20 0 CAADHN Cn1c(C(=O)N[C@H](CNCC(N)=O)C2CC2)c[nH]c1=O ZINC001483581512 892769017 /nfs/dbraw/zinc/76/90/17/892769017.db2.gz ZTHMBRIWRVBTIC-MRVPVSSYSA-N 0 3 281.316 -1.291 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1CC1)C(N)=O ZINC001483582589 892769426 /nfs/dbraw/zinc/76/94/26/892769426.db2.gz DKPOYAOBEULLNX-IONNQARKSA-N 0 3 293.327 -1.258 20 0 CAADHN CS(=O)(=O)CCC(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001483570712 892769602 /nfs/dbraw/zinc/76/96/02/892769602.db2.gz MGQAFPFMEHOQQO-SECBINFHSA-N 0 3 291.373 -1.609 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CC1 ZINC001483579783 892769668 /nfs/dbraw/zinc/76/96/68/892769668.db2.gz MHVKXSYKSJAJLZ-VHSXEESVSA-N 0 3 297.359 -1.760 20 0 CAADHN C[C@H](CC(=O)N[C@@H](CNCC(N)=O)C1CC1)NC(N)=O ZINC001483561026 892770097 /nfs/dbraw/zinc/77/00/97/892770097.db2.gz JZSJYQYFIRSTBN-APPZFPTMSA-N 0 3 285.348 -1.597 20 0 CAADHN CCN(C(=O)CNC[C@@H](NC(=O)C(N)=O)C1CC1)C1CC1 ZINC001483585076 892770142 /nfs/dbraw/zinc/77/01/42/892770142.db2.gz BVNORQOCYVOEEY-LLVKDONJSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)c1nccnc1N)C1CC1 ZINC001483549418 892770606 /nfs/dbraw/zinc/77/06/06/892770606.db2.gz WWCLLDHMWZEKPZ-MRVPVSSYSA-N 0 3 278.316 -1.358 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H]1COCCO1)C1CC1 ZINC001483545084 892770732 /nfs/dbraw/zinc/77/07/32/892770732.db2.gz KINDATPOSAAMCS-GHMZBOCLSA-N 0 3 285.344 -1.368 20 0 CAADHN C[C@@H](CC(=O)N[C@H](CNCC(N)=O)C1CC1)NC(N)=O ZINC001483561028 892770812 /nfs/dbraw/zinc/77/08/12/892770812.db2.gz JZSJYQYFIRSTBN-IONNQARKSA-N 0 3 285.348 -1.597 20 0 CAADHN C[C@@H](NC[C@@H](NC(=O)C(N)=O)C1CC1)C(=O)NC1CC1 ZINC001483586519 892770850 /nfs/dbraw/zinc/77/08/50/892770850.db2.gz RNAPAITYSMFZEA-GMSGAONNSA-N 0 3 282.344 -1.377 20 0 CAADHN C[C@H](NC[C@H](NC(=O)c1c[nH]c(=O)cn1)C1CC1)C(N)=O ZINC001483582587 892770884 /nfs/dbraw/zinc/77/08/84/892770884.db2.gz DKPOYAOBEULLNX-CBAPKCEASA-N 0 3 293.327 -1.258 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CC1 ZINC001483579780 892771025 /nfs/dbraw/zinc/77/10/25/892771025.db2.gz MHVKXSYKSJAJLZ-UWVGGRQHSA-N 0 3 297.359 -1.760 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](CN[C@@H](C)C(N)=O)C1CC1 ZINC001483558464 892771042 /nfs/dbraw/zinc/77/10/42/892771042.db2.gz PCQBZBNQQKPVJA-WCBMZHEXSA-N 0 3 299.375 -1.336 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001483545085 892771078 /nfs/dbraw/zinc/77/10/78/892771078.db2.gz KINDATPOSAAMCS-MNOVXSKESA-N 0 3 285.344 -1.368 20 0 CAADHN CNC(=O)CNC[C@H](NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001483545086 892771351 /nfs/dbraw/zinc/77/13/51/892771351.db2.gz KINDATPOSAAMCS-QWRGUYRKSA-N 0 3 285.344 -1.368 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](CNCC(N)=O)C2CC2)CC1 ZINC001483596040 892771483 /nfs/dbraw/zinc/77/14/83/892771483.db2.gz UCQSRFDWCDREDE-SECBINFHSA-N 0 3 282.344 -1.518 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)Cn1cncn1)C1CC1 ZINC001483604587 892774835 /nfs/dbraw/zinc/77/48/35/892774835.db2.gz TZNWEWBFWPRCFG-VIFPVBQESA-N 0 3 266.305 -1.752 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@H](CNCCF)C1CC1 ZINC001483607338 892775129 /nfs/dbraw/zinc/77/51/29/892775129.db2.gz NNHAXJIKEMBEQG-VIFPVBQESA-N 0 3 281.353 -1.011 20 0 CAADHN Cn1nc(C(=O)N[C@@H](CNCC(N)=O)C2CC2)ccc1=O ZINC001483604360 892775357 /nfs/dbraw/zinc/77/53/57/892775357.db2.gz PDRHPMTVOAOBNV-JTQLQIEISA-N 0 3 293.327 -1.636 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@@H]2CN(C)C(=O)N2)CC1)C(N)=O ZINC001483758125 892784386 /nfs/dbraw/zinc/78/43/86/892784386.db2.gz BGCFVAXCCWOFRR-BDAKNGLRSA-N 0 3 297.359 -1.488 20 0 CAADHN CC(=O)N(C)CC(=O)NCC1(N[C@H]2CCCNC2=O)CC1 ZINC001483717133 892785134 /nfs/dbraw/zinc/78/51/34/892785134.db2.gz VNXOGSOFDWOQSV-NSHDSACASA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@H](NC1(CNC(=O)C2CN(C(C)=O)C2)CC1)C(N)=O ZINC001483729475 892785407 /nfs/dbraw/zinc/78/54/07/892785407.db2.gz WMSZEZOVGIGNMZ-NSHDSACASA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@H]2CCC(=O)N2)CC1)C(N)=O ZINC001483722278 892785825 /nfs/dbraw/zinc/78/58/25/892785825.db2.gz UJGGZPYYKRNMLL-DTWKUNHWSA-N 0 3 282.344 -1.233 20 0 CAADHN CC(=O)N(C)CC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001483717132 892787143 /nfs/dbraw/zinc/78/71/43/892787143.db2.gz VNXOGSOFDWOQSV-LLVKDONJSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@H]2CN(C)C(=O)N2)CC1)C(N)=O ZINC001483758128 892789760 /nfs/dbraw/zinc/78/97/60/892789760.db2.gz BGCFVAXCCWOFRR-RKDXNWHRSA-N 0 3 297.359 -1.488 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001483935078 892795296 /nfs/dbraw/zinc/79/52/96/892795296.db2.gz SBBACZUTYVXRRX-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H]1CN[C@H](C)C(=O)NC ZINC001483932521 892795544 /nfs/dbraw/zinc/79/55/44/892795544.db2.gz IRVVBASRORGKJQ-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)Cn1ncnn1 ZINC001483928641 892795734 /nfs/dbraw/zinc/79/57/34/892795734.db2.gz ABICGWSLSJVHBJ-VIFPVBQESA-N 0 3 281.320 -2.000 20 0 CAADHN CC(C)N(C)CC(=O)N(C)C1CN(CC(=O)NC(N)=O)C1 ZINC001483892117 892795784 /nfs/dbraw/zinc/79/57/84/892795784.db2.gz BCIOFKKXCYSNBE-UHFFFAOYSA-N 0 3 299.375 -1.336 20 0 CAADHN CCC(=O)N1CCC[C@H]1CNCC(=O)N1CCNC(=O)C1 ZINC001483917657 892795801 /nfs/dbraw/zinc/79/58/01/892795801.db2.gz NWJDRHRXFGNULX-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN Cn1cnn(CC(=O)N2CCC[C@H]2CNCC(N)=O)c1=O ZINC001483935248 892795912 /nfs/dbraw/zinc/79/59/12/892795912.db2.gz QYEAEHYBSYYFEJ-VIFPVBQESA-N 0 3 296.331 -2.352 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1C ZINC001483941473 892796153 /nfs/dbraw/zinc/79/61/53/892796153.db2.gz WTHXKBVSRAIOFX-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@]1(NC(=O)Cn2cnc(C(N)=O)n2)CCN(CCO)C1 ZINC001484045277 892796299 /nfs/dbraw/zinc/79/62/99/892796299.db2.gz PDZTVIYQPPOALJ-GFCCVEGCSA-N 0 3 296.331 -2.050 20 0 CAADHN COCCN1CC[C@](C)(NC(=O)Cn2cnnn2)C1 ZINC001484030431 892797197 /nfs/dbraw/zinc/79/71/97/892797197.db2.gz SKXJIWZSSAKQQA-NSHDSACASA-N 0 3 268.321 -1.100 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)c1cc[nH]n1 ZINC001483921947 892797285 /nfs/dbraw/zinc/79/72/85/892797285.db2.gz WGFPTDFNICXNAT-QMMMGPOBSA-N 0 3 294.315 -1.201 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)C(N)=O)CCOCC1 ZINC001484188361 892799287 /nfs/dbraw/zinc/79/92/87/892799287.db2.gz XKTNWTNSFSBFOS-UHFFFAOYSA-N 0 3 286.332 -2.185 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001484065331 892799505 /nfs/dbraw/zinc/79/95/05/892799505.db2.gz UNROYIKWGRBAHW-QPUJVOFHSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001484065333 892799544 /nfs/dbraw/zinc/79/95/44/892799544.db2.gz UNROYIKWGRBAHW-UFBFGSQYSA-N 0 3 280.332 -1.198 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@@]1(C)CCN(CCCO)C1 ZINC001484070344 892799649 /nfs/dbraw/zinc/79/96/49/892799649.db2.gz GLOWTQDLLPZKFC-NSHDSACASA-N 0 3 293.389 -1.501 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@](C)(NC(=O)Cc2nnc[nH]2)C1 ZINC001484065328 892799872 /nfs/dbraw/zinc/79/98/72/892799872.db2.gz UNROYIKWGRBAHW-PELKAZGASA-N 0 3 280.332 -1.198 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@]1(C)CCN(CCCO)C1 ZINC001484070341 892799972 /nfs/dbraw/zinc/79/99/72/892799972.db2.gz GLOWTQDLLPZKFC-LLVKDONJSA-N 0 3 293.389 -1.501 20 0 CAADHN Cn1nccc1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001484206807 892803368 /nfs/dbraw/zinc/80/33/68/892803368.db2.gz BBNSYMNSEGXCTJ-GFCCVEGCSA-N 0 3 268.317 -1.421 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)CN(C)C(C)=O)C1 ZINC001484209096 892804149 /nfs/dbraw/zinc/80/41/49/892804149.db2.gz YCIGSOLUISHFKD-ZDUSSCGKSA-N 0 3 287.360 -1.336 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)CCn2cncn2)C1 ZINC001484202519 892809387 /nfs/dbraw/zinc/80/93/87/892809387.db2.gz AUDARLHXZWERBO-ZDUSSCGKSA-N 0 3 297.359 -1.132 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)CNC(C)=O)C1 ZINC001484200824 892810223 /nfs/dbraw/zinc/81/02/23/892810223.db2.gz BCMONEBLLCTQFO-LBPRGKRZSA-N 0 3 273.333 -1.678 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)c2ncn(C)n2)C1 ZINC001484215513 892815291 /nfs/dbraw/zinc/81/52/91/892815291.db2.gz GSGDDIDLRYOEKM-GFCCVEGCSA-N 0 3 283.332 -1.372 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001484226493 892816404 /nfs/dbraw/zinc/81/64/04/892816404.db2.gz SOUWWFNVPJJWRK-CYBMUJFWSA-N 0 3 287.360 -1.303 20 0 CAADHN O=C(NCC(F)F)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001484226298 892817433 /nfs/dbraw/zinc/81/74/33/892817433.db2.gz XJCZZPFNDIAAJP-NSHDSACASA-N 0 3 295.286 -2.087 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001484228313 892817765 /nfs/dbraw/zinc/81/77/65/892817765.db2.gz FTDGHONCRXGAML-CABZTGNLSA-N 0 3 273.333 -1.957 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001484228316 892817956 /nfs/dbraw/zinc/81/79/56/892817956.db2.gz FTDGHONCRXGAML-SKDRFNHKSA-N 0 3 273.333 -1.957 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)C(C)(C)C(N)=O)C1 ZINC001484226496 892818583 /nfs/dbraw/zinc/81/85/83/892818583.db2.gz SOUWWFNVPJJWRK-ZDUSSCGKSA-N 0 3 287.360 -1.303 20 0 CAADHN CCn1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)nn1 ZINC001484242985 892819989 /nfs/dbraw/zinc/81/99/89/892819989.db2.gz OOLLWGWHHZZLKX-GFCCVEGCSA-N 0 3 283.332 -1.543 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1ncccn1 ZINC001484244052 892821728 /nfs/dbraw/zinc/82/17/28/892821728.db2.gz AURZLAIMFODUSF-LBPRGKRZSA-N 0 3 266.301 -1.365 20 0 CAADHN Cc1nonc1CC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001484243759 892822228 /nfs/dbraw/zinc/82/22/28/892822228.db2.gz GGFDUQQRQLEEGR-GFCCVEGCSA-N 0 3 284.316 -1.534 20 0 CAADHN CO[C@@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001484247414 892822329 /nfs/dbraw/zinc/82/23/29/892822329.db2.gz SQQJLGRLZAUOGG-GWCFXTLKSA-N 0 3 297.359 -1.065 20 0 CAADHN CO[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001484247414 892822343 /nfs/dbraw/zinc/82/23/43/892822343.db2.gz SQQJLGRLZAUOGG-GWCFXTLKSA-N 0 3 297.359 -1.065 20 0 CAADHN NC(=O)C(=O)NC[C@]1(O)CCN(CCN2CCNC2=O)C1 ZINC001484233517 892822997 /nfs/dbraw/zinc/82/29/97/892822997.db2.gz GBWOTNPAAMGMOM-GFCCVEGCSA-N 0 3 299.331 -2.950 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCO)C1)c1ccnnc1 ZINC001484240377 892823851 /nfs/dbraw/zinc/82/38/51/892823851.db2.gz ODUDYYJXHQZLMZ-LBPRGKRZSA-N 0 3 266.301 -1.365 20 0 CAADHN NC(=O)C(=O)NC[C@@]1(O)CCN(CCN2CCNC2=O)C1 ZINC001484233518 892824663 /nfs/dbraw/zinc/82/46/63/892824663.db2.gz GBWOTNPAAMGMOM-LBPRGKRZSA-N 0 3 299.331 -2.950 20 0 CAADHN NC(=O)NCCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001484249697 892824766 /nfs/dbraw/zinc/82/47/66/892824766.db2.gz BAHFKBYMFXTNIS-LLVKDONJSA-N 0 3 274.321 -2.410 20 0 CAADHN CC(C)N1CCC[C@@H]1C(=O)NCC1(O)CN(CC(N)=O)C1 ZINC001484271923 892837558 /nfs/dbraw/zinc/83/75/58/892837558.db2.gz ALGDJOFHFNKSSP-LLVKDONJSA-N 0 3 298.387 -1.493 20 0 CAADHN C[C@H]1CN(C(=O)CCc2nnc[n-]2)C[C@@H]1C[NH2+]CC(N)=O ZINC001484366079 892853799 /nfs/dbraw/zinc/85/37/99/892853799.db2.gz LKJYUEFUMJKSQE-UWVGGRQHSA-N 0 3 294.359 -1.093 20 0 CAADHN O=C(Cn1ncnn1)N[C@@]1(CO)CCCN(CCCO)C1 ZINC001484433514 892856620 /nfs/dbraw/zinc/85/66/20/892856620.db2.gz AEDHZICNXFNNTJ-LBPRGKRZSA-N 0 3 298.347 -2.001 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]2[C@H]1CCN2CCOCCO ZINC001484463242 892858225 /nfs/dbraw/zinc/85/82/25/892858225.db2.gz PWQUFYKDPANQKS-GHMZBOCLSA-N 0 3 285.344 -1.454 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)[C@H]1CCOC1)C(N)=O ZINC001484477241 892861493 /nfs/dbraw/zinc/86/14/93/892861493.db2.gz IOCAMTSKNNOGAL-WDEREUQCSA-N 0 3 287.360 -1.303 20 0 CAADHN CC[C@H](OC)C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001484478120 892861836 /nfs/dbraw/zinc/86/18/36/892861836.db2.gz GWAJTVQYFBSOJF-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1cnn(C)c1 ZINC001484474983 892861983 /nfs/dbraw/zinc/86/19/83/892861983.db2.gz FHZNZNPFZMUXHT-JTQLQIEISA-N 0 3 297.359 -1.421 20 0 CAADHN CO[C@H](C)C(=O)N(CCO)CCN[C@H]1CCN(C)C1=O ZINC001484477341 892862012 /nfs/dbraw/zinc/86/20/12/892862012.db2.gz JPEYNBUGHAOVKM-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN CC[C@H](OC)C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484478119 892862029 /nfs/dbraw/zinc/86/20/29/892862029.db2.gz GWAJTVQYFBSOJF-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)c1cnccn1)C(N)=O ZINC001484474414 892862191 /nfs/dbraw/zinc/86/21/91/892862191.db2.gz GRJISEFCAPWLDY-SNVBAGLBSA-N 0 3 295.343 -1.235 20 0 CAADHN Cc1cnc(C(=O)N(CCO)CCNCC(N)=O)cn1 ZINC001484476029 892862216 /nfs/dbraw/zinc/86/22/16/892862216.db2.gz ADQISYWNMNYFRB-UHFFFAOYSA-N 0 3 281.316 -1.706 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)[C@@H]2CCCO2)C1=O ZINC001484477039 892862311 /nfs/dbraw/zinc/86/23/11/892862311.db2.gz SPEJIOBPVPHWOC-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(c1cn[nH]c1)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001484475750 892862563 /nfs/dbraw/zinc/86/25/63/892862563.db2.gz HETKFSNQOLCNAO-LLVKDONJSA-N 0 3 295.343 -1.288 20 0 CAADHN O=C(C1CCOCC1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484473806 892862624 /nfs/dbraw/zinc/86/26/24/892862624.db2.gz JTUYLAKLAJJJAL-GFCCVEGCSA-N 0 3 299.371 -1.288 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)[C@@H]2CCCO2)C1=O ZINC001484477037 892863022 /nfs/dbraw/zinc/86/30/22/892863022.db2.gz SPEJIOBPVPHWOC-NEPJUHHUSA-N 0 3 299.371 -1.193 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)C(F)F)C(N)=O ZINC001484473952 892863647 /nfs/dbraw/zinc/86/36/47/892863647.db2.gz PPNPXINBBRTOIS-ZETCQYMHSA-N 0 3 267.276 -1.074 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1nnn(C)c1C ZINC001484478777 892863913 /nfs/dbraw/zinc/86/39/13/892863913.db2.gz BMNXOAFXIVEHSW-UHFFFAOYSA-N 0 3 298.347 -2.106 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001484479917 892864325 /nfs/dbraw/zinc/86/43/25/892864325.db2.gz OIEYDYFAZNYTQD-IAZYJMLFSA-N 0 3 269.345 -1.072 20 0 CAADHN CC[C@@H](NCCN(CCO)C(=O)[C@@H]1CCOC1)C(N)=O ZINC001484477231 892864510 /nfs/dbraw/zinc/86/45/10/892864510.db2.gz IOCAMTSKNNOGAL-GHMZBOCLSA-N 0 3 287.360 -1.303 20 0 CAADHN O=C([C@@H]1CCCO1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484476619 892864633 /nfs/dbraw/zinc/86/46/33/892864633.db2.gz IGVWLQJIDWJOIC-MNOVXSKESA-N 0 3 285.344 -1.536 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1ccnn1C)C(N)=O ZINC001484477088 892864666 /nfs/dbraw/zinc/86/46/66/892864666.db2.gz DZMZNDUKWRXLQC-JTQLQIEISA-N 0 3 297.359 -1.292 20 0 CAADHN CC1CC(C(=O)N(CCO)CCNCC(N)=O)C1 ZINC001484480191 892864790 /nfs/dbraw/zinc/86/47/90/892864790.db2.gz YCKGXLVXOVJBOA-UHFFFAOYSA-N 0 3 257.334 -1.072 20 0 CAADHN CC(=O)N(CCO)CCNCC(=O)N1CCO[C@@H](C)C1 ZINC001484473725 892864912 /nfs/dbraw/zinc/86/49/12/892864912.db2.gz FYCLCAMYCKQTCS-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)Cc1ccon1 ZINC001484479673 892864933 /nfs/dbraw/zinc/86/49/33/892864933.db2.gz XPZVRUWEAMALNA-JTQLQIEISA-N 0 3 298.343 -1.238 20 0 CAADHN O=C(C[C@@H]1CCCO1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484476560 892865170 /nfs/dbraw/zinc/86/51/70/892865170.db2.gz ZXWNHGKVQZRYDW-NWDGAFQWSA-N 0 3 299.371 -1.146 20 0 CAADHN CCNC(=O)NC(=O)CNCCN(CCO)C(C)=O ZINC001484474052 892865198 /nfs/dbraw/zinc/86/51/98/892865198.db2.gz UADVGMFAJMBDDC-UHFFFAOYSA-N 0 3 274.321 -1.738 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1cn(C)cn1)C(N)=O ZINC001484480423 892865590 /nfs/dbraw/zinc/86/55/90/892865590.db2.gz GTIRRASHZMGOIX-SECBINFHSA-N 0 3 283.332 -1.682 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1c[nH]c(=O)cn1 ZINC001484492231 892866031 /nfs/dbraw/zinc/86/60/31/892866031.db2.gz HCMGORYEHSDVEL-UHFFFAOYSA-N 0 3 297.315 -2.460 20 0 CAADHN Cn1cncc1C(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484487513 892866266 /nfs/dbraw/zinc/86/62/66/892866266.db2.gz NSKHFLGGWFCROL-SNVBAGLBSA-N 0 3 295.343 -1.667 20 0 CAADHN CNC(=O)[C@H](C)NCCN(CCO)C(=O)c1ncc[nH]1 ZINC001484482283 892866628 /nfs/dbraw/zinc/86/66/28/892866628.db2.gz JMPYIHYYECLEFI-VIFPVBQESA-N 0 3 283.332 -1.432 20 0 CAADHN CN1CC[C@H](NCCN(CCO)C(=O)c2cn[nH]n2)C1=O ZINC001484486501 892866758 /nfs/dbraw/zinc/86/67/58/892866758.db2.gz RNMOYHSIBQSIAZ-VIFPVBQESA-N 0 3 296.331 -1.941 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1cn(C)cn1 ZINC001484480566 892866899 /nfs/dbraw/zinc/86/68/99/892866899.db2.gz KYXHDVGHVODWBG-UHFFFAOYSA-N 0 3 297.359 -1.468 20 0 CAADHN O=C(N(CCO)CCN[C@H]1CCNC1=O)[C@]12C[C@H]1COC2 ZINC001484483219 892868304 /nfs/dbraw/zinc/86/83/04/892868304.db2.gz FLXTXGVJDDKYON-MJVIPROJSA-N 0 3 297.355 -1.678 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@@]1(F)CCOC1)C(N)=O ZINC001484490560 892868349 /nfs/dbraw/zinc/86/83/49/892868349.db2.gz BJWUURPYRIKJHL-JOYOIKCWSA-N 0 3 291.323 -1.601 20 0 CAADHN CCn1ncc(C(=O)N(CCO)CCNCC(N)=O)n1 ZINC001484481031 892868407 /nfs/dbraw/zinc/86/84/07/892868407.db2.gz BCVOGEWAOYSDJQ-UHFFFAOYSA-N 0 3 284.320 -2.193 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)[C@@]1(F)CCOC1)C(N)=O ZINC001484490550 892868638 /nfs/dbraw/zinc/86/86/38/892868638.db2.gz BJWUURPYRIKJHL-BXKDBHETSA-N 0 3 291.323 -1.601 20 0 CAADHN Cn1cncc1C(=O)N(CCO)CCN[C@H]1CCNC1=O ZINC001484487512 892869330 /nfs/dbraw/zinc/86/93/30/892869330.db2.gz NSKHFLGGWFCROL-JTQLQIEISA-N 0 3 295.343 -1.667 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)c1n[nH]nc1C)C(N)=O ZINC001484489720 892869383 /nfs/dbraw/zinc/86/93/83/892869383.db2.gz ARFFQVQQXPDGSH-VIFPVBQESA-N 0 3 298.347 -1.599 20 0 CAADHN CC[C@H](NCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001484490975 892869510 /nfs/dbraw/zinc/86/95/10/892869510.db2.gz JMKMNOWZRNRFAB-WHOHXGKFSA-N 0 3 299.371 -1.447 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cnn(C)c1N ZINC001484483063 892869848 /nfs/dbraw/zinc/86/98/48/892869848.db2.gz YCGUAVNLGCRABP-UHFFFAOYSA-N 0 3 298.347 -2.228 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)[C@]1(F)CCOC1)C(N)=O ZINC001484490558 892869970 /nfs/dbraw/zinc/86/99/70/892869970.db2.gz BJWUURPYRIKJHL-CABZTGNLSA-N 0 3 291.323 -1.601 20 0 CAADHN CN1CC[C@@H](NCCN(CCO)C(=O)c2cn[nH]n2)C1=O ZINC001484486500 892870005 /nfs/dbraw/zinc/87/00/05/892870005.db2.gz RNMOYHSIBQSIAZ-SECBINFHSA-N 0 3 296.331 -1.941 20 0 CAADHN O=C(Cn1ccnc1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484502121 892871047 /nfs/dbraw/zinc/87/10/47/892871047.db2.gz RBSUUAYKBUOVRS-LLVKDONJSA-N 0 3 295.343 -1.818 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N(CCO)CCNCCF ZINC001484502767 892871367 /nfs/dbraw/zinc/87/13/67/892871367.db2.gz JLNYCMXAMXHRKM-VIFPVBQESA-N 0 3 289.307 -1.581 20 0 CAADHN O=C(Cn1ccnc1)N(CCO)CCN[C@H]1CCNC1=O ZINC001484502122 892872603 /nfs/dbraw/zinc/87/26/03/892872603.db2.gz RBSUUAYKBUOVRS-NSHDSACASA-N 0 3 295.343 -1.818 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1ccnnc1 ZINC001484495030 892872827 /nfs/dbraw/zinc/87/28/27/892872827.db2.gz YWSGZAMHTOMOPO-UHFFFAOYSA-N 0 3 267.289 -2.014 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1ccncn1)C(N)=O ZINC001484497076 892874047 /nfs/dbraw/zinc/87/40/47/892874047.db2.gz NBVLSRHFORIUGO-VIFPVBQESA-N 0 3 281.316 -1.626 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001484499421 892874072 /nfs/dbraw/zinc/87/40/72/892874072.db2.gz SRPAAIRRHRLVAF-ZJUUUORDSA-N 0 3 298.343 -2.436 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)CCOC)CCO1 ZINC001484665274 892878003 /nfs/dbraw/zinc/87/80/03/892878003.db2.gz DPABCSRQPXKIOJ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001484669325 892878195 /nfs/dbraw/zinc/87/81/95/892878195.db2.gz TXUCDXFDNJINLC-QMMMGPOBSA-N 0 3 299.356 -1.285 20 0 CAADHN CC(F)(F)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484665516 892878285 /nfs/dbraw/zinc/87/82/85/892878285.db2.gz KDIQOMKIVCTIEG-SSDOTTSWSA-N 0 3 265.260 -1.056 20 0 CAADHN COCC(=O)N1CCO[C@H](CNCC(=O)NC(N)=O)C1 ZINC001484668951 892878522 /nfs/dbraw/zinc/87/85/22/892878522.db2.gz YEUWGACHIIKWNI-MRVPVSSYSA-N 0 3 288.304 -2.355 20 0 CAADHN CNC(=O)NCCC(=O)NCC1(NCC(N)=O)CCC1 ZINC001484633033 892878715 /nfs/dbraw/zinc/87/87/15/892878715.db2.gz XMYUGFQXQHKSBC-UHFFFAOYSA-N 0 3 285.348 -1.581 20 0 CAADHN COCCC(=O)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001484666253 892878861 /nfs/dbraw/zinc/87/88/61/892878861.db2.gz ZBUICBAGVQMJKO-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN Cn1nccc1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484669125 892879126 /nfs/dbraw/zinc/87/91/26/892879126.db2.gz QGFAKHFBGJRIOA-SECBINFHSA-N 0 3 281.316 -1.664 20 0 CAADHN NC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CCNC1=O ZINC001484618404 892880710 /nfs/dbraw/zinc/88/07/10/892880710.db2.gz WJRJHPOOSSQBGZ-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484667288 892880830 /nfs/dbraw/zinc/88/08/30/892880830.db2.gz LZZRSMRKWGCGTC-PSASIEDQSA-N 0 3 286.332 -2.187 20 0 CAADHN CC(C)OCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001484667248 892880888 /nfs/dbraw/zinc/88/08/88/892880888.db2.gz BPVRCADQNWPZOY-SNVBAGLBSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(=O)CNC1(CNC(=O)CN2CCOCC2=O)CCC1 ZINC001484637364 892881181 /nfs/dbraw/zinc/88/11/81/892881181.db2.gz AJBNCSKRJONQDR-UHFFFAOYSA-N 0 3 298.343 -2.041 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)CCOC)CCO1 ZINC001484665299 892881216 /nfs/dbraw/zinc/88/12/16/892881216.db2.gz DZOUKMSWZNCUND-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)CNC(C)=O)CCO1 ZINC001484665654 892881531 /nfs/dbraw/zinc/88/15/31/892881531.db2.gz MOQYVCVDIGKMSM-JTQLQIEISA-N 0 3 286.332 -2.315 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001484670746 892881837 /nfs/dbraw/zinc/88/18/37/892881837.db2.gz MBHNGCXVTJWMLA-NXEZZACHSA-N 0 3 295.343 -1.025 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)CC(N)=O)CCO1)C(N)=O ZINC001484676737 892882505 /nfs/dbraw/zinc/88/25/05/892882505.db2.gz ZWYNLIHISBXQEZ-YUMQZZPRSA-N 0 3 272.305 -2.447 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)CC(N)=O)CCO1)C(N)=O ZINC001484676735 892882838 /nfs/dbraw/zinc/88/28/38/892882838.db2.gz ZWYNLIHISBXQEZ-JGVFFNPUSA-N 0 3 272.305 -2.447 20 0 CAADHN Cn1ccc(CC(=O)N2CCO[C@@H](CNCC(N)=O)C2)n1 ZINC001484676453 892883138 /nfs/dbraw/zinc/88/31/38/892883138.db2.gz ABZACSXLHFVFTH-NSHDSACASA-N 0 3 295.343 -1.735 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)c2cc[nH]n2)CCO1 ZINC001484670750 892883333 /nfs/dbraw/zinc/88/33/33/892883333.db2.gz MBHNGCXVTJWMLA-VHSXEESVSA-N 0 3 295.343 -1.025 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)c2cocn2)CCO1)C(N)=O ZINC001484671557 892883375 /nfs/dbraw/zinc/88/33/75/892883375.db2.gz PRLWNXJPYPOZCE-IUCAKERBSA-N 0 3 282.300 -1.021 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)Cc2ccon2)CCO1 ZINC001484674234 892883417 /nfs/dbraw/zinc/88/34/17/892883417.db2.gz CHPFNTQXXRYAKW-SNVBAGLBSA-N 0 3 282.300 -1.481 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)CC(N)=O)CCO1)C(N)=O ZINC001484676736 892883827 /nfs/dbraw/zinc/88/38/27/892883827.db2.gz ZWYNLIHISBXQEZ-SFYZADRCSA-N 0 3 272.305 -2.447 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ncc[nH]2)CCO1 ZINC001484673064 892884274 /nfs/dbraw/zinc/88/42/74/892884274.db2.gz DOHOQCYHCAQDIX-MRVPVSSYSA-N 0 3 267.289 -1.674 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2cnco2)CCO1 ZINC001484684337 892884985 /nfs/dbraw/zinc/88/49/85/892884985.db2.gz OJKRQVBZUGOOJZ-SECBINFHSA-N 0 3 282.300 -1.149 20 0 CAADHN C/C=C(/C)C(=O)N1CCO[C@@H](CNCC(=O)NC(N)=O)C1 ZINC001484676542 892885498 /nfs/dbraw/zinc/88/54/98/892885498.db2.gz YEYVPQMGQJQDRB-BNFOFFDWSA-N 0 3 298.343 -1.036 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCO1 ZINC001484678268 892885575 /nfs/dbraw/zinc/88/55/75/892885575.db2.gz XBQILUMZYILHLV-MJVIPROJSA-N 0 3 297.355 -1.414 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)CCO1 ZINC001484682366 892886044 /nfs/dbraw/zinc/88/60/44/892886044.db2.gz MQVWZYYPQLLABT-VHSXEESVSA-N 0 3 298.343 -2.185 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2ccon2)CCO1 ZINC001484674231 892886261 /nfs/dbraw/zinc/88/62/61/892886261.db2.gz CHPFNTQXXRYAKW-JTQLQIEISA-N 0 3 282.300 -1.481 20 0 CAADHN C[C@@]1(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CCNC1=O ZINC001484693094 892887259 /nfs/dbraw/zinc/88/72/59/892887259.db2.gz RDIFINCFKMTOON-TVQRCGJNSA-N 0 3 298.343 -2.185 20 0 CAADHN CCc1nc[nH]c1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001484696112 892887418 /nfs/dbraw/zinc/88/74/18/892887418.db2.gz CEFASTKVPRCSHA-VIFPVBQESA-N 0 3 295.343 -1.112 20 0 CAADHN C[C@@]1(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CCOC1 ZINC001484695653 892887898 /nfs/dbraw/zinc/88/78/98/892887898.db2.gz MVDUTYVLXAPCIV-GXFFZTMASA-N 0 3 285.344 -1.285 20 0 CAADHN C[C@]1(C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CCNC1=O ZINC001484693095 892888340 /nfs/dbraw/zinc/88/83/40/892888340.db2.gz RDIFINCFKMTOON-ZANVPECISA-N 0 3 298.343 -2.185 20 0 CAADHN C[C@]1(C(=O)N2CCO[C@H](CNCC(N)=O)C2)CCNC1=O ZINC001484693093 892891199 /nfs/dbraw/zinc/89/11/99/892891199.db2.gz RDIFINCFKMTOON-RNCFNFMXSA-N 0 3 298.343 -2.185 20 0 CAADHN CC[C@@H](C(=O)N[C@H]1COC2(CN(CC(N)=O)C2)C1)N(C)C ZINC001484802228 892892212 /nfs/dbraw/zinc/89/22/12/892892212.db2.gz WFTQQJPLRXEPIY-MNOVXSKESA-N 0 3 298.387 -1.229 20 0 CAADHN O=C(Cn1ncnn1)NC1(CNCCF)CCOCC1 ZINC001484864116 892896609 /nfs/dbraw/zinc/89/66/09/892896609.db2.gz OGVAQQHAUZFJHR-UHFFFAOYSA-N 0 3 286.311 -1.102 20 0 CAADHN C[C@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@H]1NCC(N)=O ZINC001484887437 892897112 /nfs/dbraw/zinc/89/71/12/892897112.db2.gz BVAHSKAIKQODKQ-GXSJLCMTSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@@H]1NCC(N)=O ZINC001484887439 892897469 /nfs/dbraw/zinc/89/74/69/892897469.db2.gz BVAHSKAIKQODKQ-ONGXEEELSA-N 0 3 296.371 -1.223 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CCOCC1 ZINC001484868036 892897538 /nfs/dbraw/zinc/89/75/38/892897538.db2.gz XFKUOFUWJLBRNL-IAZYJMLFSA-N 0 3 297.355 -1.381 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)N(C)CC1CC1 ZINC001484897037 892897647 /nfs/dbraw/zinc/89/76/47/892897647.db2.gz GAKUEIKUIVVNGT-KOLCDFICSA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)OC)C[C@@H]1C ZINC001484879408 892897926 /nfs/dbraw/zinc/89/79/26/892897926.db2.gz LGULRGOZLBJNJN-DTWKUNHWSA-N 0 3 286.332 -1.475 20 0 CAADHN Cn1cncc1C(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001484957469 892898057 /nfs/dbraw/zinc/89/80/57/892898057.db2.gz ZVLAGUZJYZQXPR-UHFFFAOYSA-N 0 3 295.343 -1.538 20 0 CAADHN CO[C@@H](C)C(=O)N1CCC(O)(CN[C@H](C)C(N)=O)CC1 ZINC001484950385 892898210 /nfs/dbraw/zinc/89/82/10/892898210.db2.gz DTRLZMBJJKFQQF-ZJUUUORDSA-N 0 3 287.360 -1.162 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)NC1CCCC1 ZINC001484898555 892898247 /nfs/dbraw/zinc/89/82/47/892898247.db2.gz XXLIQFQYJVBUKU-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN COC(=O)NCC(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001484879256 892898465 /nfs/dbraw/zinc/89/84/65/892898465.db2.gz JEJVMPPGPRCITL-SFYZADRCSA-N 0 3 272.305 -1.736 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)NC1CC1 ZINC001484897222 892898689 /nfs/dbraw/zinc/89/86/89/892898689.db2.gz IQSMLPBILOKBKH-IONNQARKSA-N 0 3 268.317 -1.813 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)Cn2cncn2)C[C@H]1C ZINC001484906610 892898878 /nfs/dbraw/zinc/89/88/78/892898878.db2.gz MXMXWBKAQAWLFD-MNOVXSKESA-N 0 3 294.359 -1.149 20 0 CAADHN C[C@@H]1CN(C(=O)CN(C)C(=O)C2CC2)C[C@@H]1NCC(N)=O ZINC001484887438 892899001 /nfs/dbraw/zinc/89/90/01/892899001.db2.gz BVAHSKAIKQODKQ-KOLCDFICSA-N 0 3 296.371 -1.223 20 0 CAADHN CC(C)[C@@H](O)C(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001484862392 892899052 /nfs/dbraw/zinc/89/90/52/892899052.db2.gz FIESBFYCCBEWGT-LLVKDONJSA-N 0 3 287.360 -1.256 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1C ZINC001484893612 892899360 /nfs/dbraw/zinc/89/93/60/892899360.db2.gz CAEIXCXDXYSVDL-DTWKUNHWSA-N 0 3 295.343 -1.078 20 0 CAADHN CNC(=O)NC(=O)CN[C@H]1CN(C(C)=O)C[C@H]1C ZINC001484877549 892899432 /nfs/dbraw/zinc/89/94/32/892899432.db2.gz FGDAINAFSBTMDX-APPZFPTMSA-N 0 3 256.306 -1.102 20 0 CAADHN NC(=O)C(=O)NC1(CO)CCN(CCCO)CC1 ZINC001485024031 892901382 /nfs/dbraw/zinc/90/13/82/892901382.db2.gz KIFZOMGFSWTDLB-UHFFFAOYSA-N 0 3 259.306 -2.203 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@@H]1CCNC(=O)C1 ZINC001485017616 892901727 /nfs/dbraw/zinc/90/17/27/892901727.db2.gz YGHAYLXZPQRSMU-LLVKDONJSA-N 0 3 299.371 -1.552 20 0 CAADHN Cn1ncc(C(=O)NC2(CO)CCN(CCCO)CC2)n1 ZINC001485024860 892902085 /nfs/dbraw/zinc/90/20/85/892902085.db2.gz KYLHDTYXEDMICD-UHFFFAOYSA-N 0 3 297.359 -1.246 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001485023535 892902427 /nfs/dbraw/zinc/90/24/27/892902427.db2.gz JNBMXKCRTZNFGL-MXWKQRLJSA-N 0 3 299.371 -1.568 20 0 CAADHN COC[C@@H](C)N1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001485015928 892903108 /nfs/dbraw/zinc/90/31/08/892903108.db2.gz AVUPRGFTNDGULG-SNVBAGLBSA-N 0 3 287.360 -1.160 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)C(N)=O)CC1 ZINC001485024284 892903554 /nfs/dbraw/zinc/90/35/54/892903554.db2.gz LXJIHGZFRSZFKN-MRVPVSSYSA-N 0 3 259.306 -2.204 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001485023530 892903592 /nfs/dbraw/zinc/90/35/92/892903592.db2.gz JNBMXKCRTZNFGL-AXFHLTTASA-N 0 3 299.371 -1.568 20 0 CAADHN COCC(=O)NC1(CO)CCN(CCOCCO)CC1 ZINC001485011531 892903704 /nfs/dbraw/zinc/90/37/04/892903704.db2.gz PDESKLCKYQKPAW-UHFFFAOYSA-N 0 3 290.360 -1.415 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)c2ccncn2)CC1 ZINC001484961192 892904033 /nfs/dbraw/zinc/90/40/33/892904033.db2.gz CHDYKXRELQFPKZ-UHFFFAOYSA-N 0 3 293.327 -1.481 20 0 CAADHN COC[C@H](C)N1CCC(CO)(NC(=O)CC(N)=O)CC1 ZINC001485015927 892904092 /nfs/dbraw/zinc/90/40/92/892904092.db2.gz AVUPRGFTNDGULG-JTQLQIEISA-N 0 3 287.360 -1.160 20 0 CAADHN CN(CCO)C[C@H]1CCCN1C(=O)CCn1cnnn1 ZINC001485074495 892905915 /nfs/dbraw/zinc/90/59/15/892905915.db2.gz ZLHBBGIXEFSWJY-LLVKDONJSA-N 0 3 282.348 -1.022 20 0 CAADHN CN(CCO)C[C@H]1CCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001485068069 892906131 /nfs/dbraw/zinc/90/61/31/892906131.db2.gz ZPVLFAFSMLPCBM-NXEZZACHSA-N 0 3 270.333 -1.417 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)Cn1cccn1 ZINC001485120006 892906382 /nfs/dbraw/zinc/90/63/82/892906382.db2.gz GAOZNHZZAKXSCI-BDAKNGLRSA-N 0 3 296.331 -1.439 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCOC ZINC001485112681 892906576 /nfs/dbraw/zinc/90/65/76/892906576.db2.gz RRHSMXXFIJMCMH-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN CN(CCO)C[C@H]1CCCN1C(=O)[C@@H]1CNC(=O)N1 ZINC001485068072 892907325 /nfs/dbraw/zinc/90/73/25/892907325.db2.gz ZPVLFAFSMLPCBM-ZJUUUORDSA-N 0 3 270.333 -1.417 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1cnccn1 ZINC001485120114 892907672 /nfs/dbraw/zinc/90/76/72/892907672.db2.gz WWCMEFLHNSGLIV-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)Cn1cccn1 ZINC001485120008 892907890 /nfs/dbraw/zinc/90/78/90/892907890.db2.gz GAOZNHZZAKXSCI-IUCAKERBSA-N 0 3 296.331 -1.439 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1nnn(C)n1 ZINC001485181518 892909433 /nfs/dbraw/zinc/90/94/33/892909433.db2.gz MPXPFWDYUCAGQL-IUCAKERBSA-N 0 3 297.363 -1.169 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001485167105 892909523 /nfs/dbraw/zinc/90/95/23/892909523.db2.gz BQDDYMJGYBLLHT-HTQZYQBOSA-N 0 3 297.315 -2.083 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)Cn1ncnn1 ZINC001485146208 892909658 /nfs/dbraw/zinc/90/96/58/892909658.db2.gz GLTNSRDQGYVDRX-JGVFFNPUSA-N 0 3 269.309 -2.098 20 0 CAADHN C[C@@H](NC(=O)c1cnc[n-]c1=O)[C@@H](C)[NH2+]CC(N)=O ZINC001485162828 892909905 /nfs/dbraw/zinc/90/99/05/892909905.db2.gz LQYNFNKICAWHIV-RNFRBKRXSA-N 0 3 267.289 -1.236 20 0 CAADHN C[C@H](NCC(=O)NCC(F)(F)F)[C@H](C)NC(=O)C(N)=O ZINC001485188640 892910189 /nfs/dbraw/zinc/91/01/89/892910189.db2.gz MOTPWJRRVYNWSZ-WDSKDSINSA-N 0 3 298.265 -1.367 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)COCc1nccn1C ZINC001485159245 892910239 /nfs/dbraw/zinc/91/02/39/892910239.db2.gz GIDPKXMMCGBDRW-ZJUUUORDSA-N 0 3 297.359 -1.095 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001485181519 892910673 /nfs/dbraw/zinc/91/06/73/892910673.db2.gz MPXPFWDYUCAGQL-RKDXNWHRSA-N 0 3 297.363 -1.169 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001485167110 892910878 /nfs/dbraw/zinc/91/08/78/892910878.db2.gz BQDDYMJGYBLLHT-YUMQZZPRSA-N 0 3 297.315 -2.083 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCc1cnn(C)n1 ZINC001485189275 892911125 /nfs/dbraw/zinc/91/11/25/892911125.db2.gz GWTPIDMAVZVQHQ-NXEZZACHSA-N 0 3 296.375 -1.024 20 0 CAADHN COCCn1cc(C(=O)N[C@@H](C)[C@H](C)NCC(N)=O)nn1 ZINC001485147604 892911142 /nfs/dbraw/zinc/91/11/42/892911142.db2.gz PUAXZJDKFPGBRU-IUCAKERBSA-N 0 3 298.347 -1.494 20 0 CAADHN C[C@H](NC(=O)c1cnc[n-]c1=O)[C@H](C)[NH2+]CC(N)=O ZINC001485162826 892911331 /nfs/dbraw/zinc/91/13/31/892911331.db2.gz LQYNFNKICAWHIV-BQBZGAKWSA-N 0 3 267.289 -1.236 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1ncn(C)n1 ZINC001485145517 892911451 /nfs/dbraw/zinc/91/14/51/892911451.db2.gz HSXFPDJMZUUAAE-HTQZYQBOSA-N 0 3 268.321 -1.343 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N(C)CCn1cncn1 ZINC001485275102 892913359 /nfs/dbraw/zinc/91/33/59/892913359.db2.gz UQHPAIUNZIOFMN-SNVBAGLBSA-N 0 3 293.335 -1.599 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001485224170 892914179 /nfs/dbraw/zinc/91/41/79/892914179.db2.gz HGVNJYCNNBZJRY-BQBZGAKWSA-N 0 3 285.304 -2.494 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C1(C(N)=O)CC1 ZINC001485191147 892915771 /nfs/dbraw/zinc/91/57/71/892915771.db2.gz QZFWPZJAOHVODK-BDAKNGLRSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)CCO ZINC001485312333 892918192 /nfs/dbraw/zinc/91/81/92/892918192.db2.gz GTZIGCQOFXSFCO-SECBINFHSA-N 0 3 268.317 -1.177 20 0 CAADHN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)CCOCCO ZINC001485343609 892919003 /nfs/dbraw/zinc/91/90/03/892919003.db2.gz IALCPVWWKZVMKH-JTQLQIEISA-N 0 3 298.343 -1.171 20 0 CAADHN Cc1nc(CC(=O)NC[C@@H](C)N(C)[C@H](C)C(N)=O)n[nH]1 ZINC001485304297 892919572 /nfs/dbraw/zinc/91/95/72/892919572.db2.gz OYXLDNLOCFVAQA-HTQZYQBOSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCNC1=O)N(C)CCn1cncn1 ZINC001485338801 892920245 /nfs/dbraw/zinc/92/02/45/892920245.db2.gz QTPLCNSSVQLBSU-QWRGUYRKSA-N 0 3 294.359 -1.149 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCNC1=O)N(C)CCO ZINC001485324729 892920443 /nfs/dbraw/zinc/92/04/43/892920443.db2.gz LIGILJQCEPRYQN-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1COC(=O)N1)N(C)CCn1cncn1 ZINC001485303496 892920841 /nfs/dbraw/zinc/92/08/41/892920841.db2.gz WULLKTPUGTWGSS-ZJUUUORDSA-N 0 3 296.331 -1.177 20 0 CAADHN CCC(=O)NC[C@H](CO)NCCCS(C)(=O)=O ZINC001485964807 892957015 /nfs/dbraw/zinc/95/70/15/892957015.db2.gz HWYONNZPFTXPAX-SECBINFHSA-N 0 3 266.363 -1.102 20 0 CAADHN C[C@H](CNC(=O)Cc1cnc[nH]1)N(C)CC(N)=O ZINC001485359874 892923774 /nfs/dbraw/zinc/92/37/74/892923774.db2.gz YXCUSVQPRGYHHJ-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN C[C@@H](CNC(=O)C(C)(C)NS(C)(=O)=O)N(C)CCO ZINC001485361130 892924716 /nfs/dbraw/zinc/92/47/16/892924716.db2.gz ZDKOMAHPIJNANA-VIFPVBQESA-N 0 3 295.405 -1.257 20 0 CAADHN C[C@@H](CNC(=O)Cc1cnc[nH]1)N(C)CC(N)=O ZINC001485359875 892924822 /nfs/dbraw/zinc/92/48/22/892924822.db2.gz YXCUSVQPRGYHHJ-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN C[C@H](CNC(=O)c1nccnc1C(N)=O)N(C)CCO ZINC001485384082 892925255 /nfs/dbraw/zinc/92/52/55/892925255.db2.gz SNNLSDPBEOJJGH-MRVPVSSYSA-N 0 3 281.316 -1.382 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)N(C)CCOCCO ZINC001485365318 892925393 /nfs/dbraw/zinc/92/53/93/892925393.db2.gz NFUXXCWRQFAMGU-JTQLQIEISA-N 0 3 285.348 -1.126 20 0 CAADHN CCCC[C@H](CNCC(N)=O)NC(=O)[C@H]1CCNC1=O ZINC001485469158 892930930 /nfs/dbraw/zinc/93/09/30/892930930.db2.gz OZRKEFTUMYXOGO-ZJUUUORDSA-N 0 3 284.360 -1.128 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)C1CN(C[C@@H](C)O)C1 ZINC001485487706 892932072 /nfs/dbraw/zinc/93/20/72/892932072.db2.gz CFPDFEHWEWHORH-RKDXNWHRSA-N 0 3 257.334 -1.060 20 0 CAADHN CCCC[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCNC1=O ZINC001485469155 892932942 /nfs/dbraw/zinc/93/29/42/892932942.db2.gz OZRKEFTUMYXOGO-NXEZZACHSA-N 0 3 284.360 -1.128 20 0 CAADHN NC(=O)CNCC1(NC(=O)[C@@H]2COC(=O)N2)CCCCC1 ZINC001485451814 892933247 /nfs/dbraw/zinc/93/32/47/892933247.db2.gz SRTXEJLDYMCPAN-VIFPVBQESA-N 0 3 298.343 -1.011 20 0 CAADHN CCN1CC([C@H](C)NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001485526207 892936006 /nfs/dbraw/zinc/93/60/06/892936006.db2.gz HDVPBAPDUCUAJR-KWQFWETISA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001485644701 892938164 /nfs/dbraw/zinc/93/81/64/892938164.db2.gz BRCJMECTSFMONG-PSASIEDQSA-N 0 3 297.315 -1.365 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001485631069 892938301 /nfs/dbraw/zinc/93/83/01/892938301.db2.gz PIBUAHDIHLPBIM-DTWKUNHWSA-N 0 3 297.319 -2.636 20 0 CAADHN CC(=O)N1CCO[C@@H]([C@H](C)NCC(=O)NC(N)=O)C1 ZINC001485630514 892938594 /nfs/dbraw/zinc/93/85/94/892938594.db2.gz IDDAJRCLVFWUER-IONNQARKSA-N 0 3 272.305 -1.593 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)CCOC)CCO1 ZINC001485630816 892938710 /nfs/dbraw/zinc/93/87/10/892938710.db2.gz LWACYXHOYSDPOC-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001485644703 892938840 /nfs/dbraw/zinc/93/88/40/892938840.db2.gz BRCJMECTSFMONG-SCZZXKLOSA-N 0 3 297.315 -1.365 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnon2)CCO1 ZINC001485648295 892938873 /nfs/dbraw/zinc/93/88/73/892938873.db2.gz YDNGVGBJFYSVEN-VXNVDRBHSA-N 0 3 283.288 -1.626 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnon2)CCO1 ZINC001485648292 892938969 /nfs/dbraw/zinc/93/89/69/892938969.db2.gz YDNGVGBJFYSVEN-APPZFPTMSA-N 0 3 283.288 -1.626 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@H]([C@H](C)NCC(N)=O)C1 ZINC001485631203 892939242 /nfs/dbraw/zinc/93/92/42/892939242.db2.gz QPTRJRGCUSYNTC-WPRPVWTQSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cnsn2)CCO1 ZINC001485634952 892939452 /nfs/dbraw/zinc/93/94/52/892939452.db2.gz UZJBJJKHGKLWHA-APPZFPTMSA-N 0 3 299.356 -1.158 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@@H]([C@H](C)NCC(N)=O)C1 ZINC001485631202 892939750 /nfs/dbraw/zinc/93/97/50/892939750.db2.gz QPTRJRGCUSYNTC-WCBMZHEXSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)Cn2cnnn2)CCO1 ZINC001485631068 892940096 /nfs/dbraw/zinc/94/00/96/892940096.db2.gz PIBUAHDIHLPBIM-BDAKNGLRSA-N 0 3 297.319 -2.636 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001485650800 892942618 /nfs/dbraw/zinc/94/26/18/892942618.db2.gz YTHZJFNXPXQEDV-NXEZZACHSA-N 0 3 296.331 -2.031 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)CCNC(N)=O)CC1 ZINC001485766829 892944808 /nfs/dbraw/zinc/94/48/08/892944808.db2.gz LRWYEQCNVYHFAO-SECBINFHSA-N 0 3 299.375 -1.159 20 0 CAADHN C[C@@H](CN(C)C(=O)CCn1ccnn1)NCC(N)=O ZINC001485869064 892945843 /nfs/dbraw/zinc/94/58/43/892945843.db2.gz RSRQQUUOZGXFAZ-VIFPVBQESA-N 0 3 268.321 -1.410 20 0 CAADHN CCNC(=O)CCC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001485854735 892946221 /nfs/dbraw/zinc/94/62/21/892946221.db2.gz SHAWHOSJSPRMLQ-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](C)NCC(=O)N1CCC1 ZINC001485844211 892946326 /nfs/dbraw/zinc/94/63/26/892946326.db2.gz WUBSISNIZCJJQM-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1COCCO1 ZINC001485846890 892946767 /nfs/dbraw/zinc/94/67/67/892946767.db2.gz GOMNGDUBWLVAKA-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN CNC(=O)CCCC(=O)N(C)C[C@H](C)NCC(N)=O ZINC001485866229 892947086 /nfs/dbraw/zinc/94/70/86/892947086.db2.gz QXOVOHBYXVNFNT-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cnnn1)N[C@@H](C)C(=O)N(C)C ZINC001485844710 892947167 /nfs/dbraw/zinc/94/71/67/892947167.db2.gz MPRQJRJRCDGJFD-ZJUUUORDSA-N 0 3 297.363 -1.414 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001485798258 892947187 /nfs/dbraw/zinc/94/71/87/892947187.db2.gz TXRFLKBHBCRDNE-KWQFWETISA-N 0 3 284.360 -1.177 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001485798254 892947236 /nfs/dbraw/zinc/94/72/36/892947236.db2.gz TXRFLKBHBCRDNE-GZMMTYOYSA-N 0 3 284.360 -1.177 20 0 CAADHN CCOCC(=O)N(C)C[C@H](C)NCC(=O)NC(=O)NC ZINC001485857262 892947269 /nfs/dbraw/zinc/94/72/69/892947269.db2.gz UGOHRCJJVVLVMW-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN C[C@@H](CN(C)C(=O)CS(C)(=O)=O)N[C@@H]1CCNC1=O ZINC001485852890 892947470 /nfs/dbraw/zinc/94/74/70/892947470.db2.gz AMNSPUMDJVOTDJ-DTWKUNHWSA-N 0 3 291.373 -1.644 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1COCCO1 ZINC001485846893 892947542 /nfs/dbraw/zinc/94/75/42/892947542.db2.gz GOMNGDUBWLVAKA-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001485826088 892947658 /nfs/dbraw/zinc/94/76/58/892947658.db2.gz IQZWGSZRDZJOMG-VWYCJHECSA-N 0 3 296.371 -1.320 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001485848645 892947783 /nfs/dbraw/zinc/94/77/83/892947783.db2.gz SDOBKDPJRJQUFD-MRVPVSSYSA-N 0 3 258.322 -1.614 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)[C@H](CNCC(N)=O)C1CC1 ZINC001485798259 892947810 /nfs/dbraw/zinc/94/78/10/892947810.db2.gz TXRFLKBHBCRDNE-LDYMZIIASA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)Cn1cncn1 ZINC001485836039 892947899 /nfs/dbraw/zinc/94/78/99/892947899.db2.gz RYSMWWIFCPOXDV-LLVKDONJSA-N 0 3 294.359 -1.149 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](C)NCC(=O)NC(=O)NC ZINC001485857261 892947915 /nfs/dbraw/zinc/94/79/15/892947915.db2.gz UGOHRCJJVVLVMW-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)Cn1cnnn1 ZINC001485844852 892948132 /nfs/dbraw/zinc/94/81/32/892948132.db2.gz OZXFGQKQOQBYAD-SNVBAGLBSA-N 0 3 297.363 -1.366 20 0 CAADHN CCNC(=O)CCC(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001485854733 892948421 /nfs/dbraw/zinc/94/84/21/892948421.db2.gz SHAWHOSJSPRMLQ-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cnnn1)N[C@@H]1CCN(C)C1=O ZINC001485844984 892948544 /nfs/dbraw/zinc/94/85/44/892948544.db2.gz PVBJPTFFJCNLEA-VHSXEESVSA-N 0 3 295.347 -1.660 20 0 CAADHN C[C@H](CN(C)C(=O)Cc1ccn(C)n1)NCC(N)=O ZINC001485874311 892950319 /nfs/dbraw/zinc/95/03/19/892950319.db2.gz WNTUOLMFQKHVOQ-SECBINFHSA-N 0 3 267.333 -1.116 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)NCC(N)=O ZINC001485903297 892950383 /nfs/dbraw/zinc/95/03/83/892950383.db2.gz NJFYNGCPJVGYRX-MPPDQPJWSA-N 0 3 299.371 -1.040 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@@H](C)N[C@H]1CCNC1=O ZINC001485872578 892950466 /nfs/dbraw/zinc/95/04/66/892950466.db2.gz VFNXGRBPBHZZJG-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]1)NCC(N)=O ZINC001485921092 892950632 /nfs/dbraw/zinc/95/06/32/892950632.db2.gz YTTDWJFJOACICA-SSDOTTSWSA-N 0 3 269.305 -1.339 20 0 CAADHN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)NCC(N)=O ZINC001485887654 892950714 /nfs/dbraw/zinc/95/07/14/892950714.db2.gz DXQJOBIEFLPXRI-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](CN(C)C(=O)[C@@]1(C)CCNC1=O)NCC(N)=O ZINC001485922799 892950740 /nfs/dbraw/zinc/95/07/40/892950740.db2.gz RJAHYESIZYSZSV-PELKAZGASA-N 0 3 270.333 -1.566 20 0 CAADHN CCCNC(=O)CN[C@H](C)CN(C)C(=O)Cn1ncnn1 ZINC001485874900 892950832 /nfs/dbraw/zinc/95/08/32/892950832.db2.gz DUZXWUYBALUSLA-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC1=O)NCC(N)=O ZINC001485922802 892951063 /nfs/dbraw/zinc/95/10/63/892951063.db2.gz RJAHYESIZYSZSV-UFBFGSQYSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)c1n[nH]nc1C ZINC001485908164 892952410 /nfs/dbraw/zinc/95/24/10/892952410.db2.gz MJHXJENRECGTMF-ZETCQYMHSA-N 0 3 268.321 -1.091 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001485914447 892952980 /nfs/dbraw/zinc/95/29/80/892952980.db2.gz WQJIIGBUIVEVHS-ZJUUUORDSA-N 0 3 284.360 -1.353 20 0 CAADHN O=C(CC1CC1)NC[C@H](CO)NCCN1C(=O)CNC1=O ZINC001485967862 892954255 /nfs/dbraw/zinc/95/42/55/892954255.db2.gz YGOFWNNIPHTTOF-SNVBAGLBSA-N 0 3 298.343 -1.595 20 0 CAADHN CC(=O)NC[C@H](CO)NCCN1C(=O)CNC1=O ZINC001485965745 892955146 /nfs/dbraw/zinc/95/51/46/892955146.db2.gz QBHNWBVWGCETQU-MRVPVSSYSA-N 0 3 258.278 -2.375 20 0 CAADHN CC(=O)NC[C@@H](CO)NCCN1C(=O)CNC1=O ZINC001485965746 892955295 /nfs/dbraw/zinc/95/52/95/892955295.db2.gz QBHNWBVWGCETQU-QMMMGPOBSA-N 0 3 258.278 -2.375 20 0 CAADHN O=C(CC1CC1)NC[C@@H](CO)NCCN1C(=O)CNC1=O ZINC001485967861 892955417 /nfs/dbraw/zinc/95/54/17/892955417.db2.gz YGOFWNNIPHTTOF-JTQLQIEISA-N 0 3 298.343 -1.595 20 0 CAADHN CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1nc[n-]n1 ZINC001485934196 892955657 /nfs/dbraw/zinc/95/56/57/892955657.db2.gz KMUSMYUQYQCCMW-ZETCQYMHSA-N 0 3 297.319 -1.690 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)c1nc[nH]n1 ZINC001485934196 892955648 /nfs/dbraw/zinc/95/56/48/892955648.db2.gz KMUSMYUQYQCCMW-ZETCQYMHSA-N 0 3 297.319 -1.690 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1ccccc1=O)NCC(N)=O ZINC001485953850 892956903 /nfs/dbraw/zinc/95/69/03/892956903.db2.gz DZDKHWWCPKOZCJ-SNVBAGLBSA-N 0 3 280.328 -1.230 20 0 CAADHN CC[C@@H](N[C@@H](C)CN(C)C(=O)Cn1cncn1)C(N)=O ZINC001485952539 892957074 /nfs/dbraw/zinc/95/70/74/892957074.db2.gz CXSCGLBWAXLFSE-VHSXEESVSA-N 0 3 282.348 -1.022 20 0 CAADHN C[C@H](CN(C)C(=O)c1c[nH]c(C(N)=O)c1)NCC(N)=O ZINC001485956381 892957112 /nfs/dbraw/zinc/95/71/12/892957112.db2.gz WCMVIVYKNDQJJQ-SSDOTTSWSA-N 0 3 281.316 -1.351 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1C(=O)CCC1=O)C1CC1 ZINC001485966821 892957338 /nfs/dbraw/zinc/95/73/38/892957338.db2.gz BRGSHBOKMYDFIJ-JTQLQIEISA-N 0 3 283.328 -1.388 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ccnnc1)NCC(=O)NC(N)=O ZINC001485928086 892957636 /nfs/dbraw/zinc/95/76/36/892957636.db2.gz YKXBOKIXZIGMQX-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001485971362 892958890 /nfs/dbraw/zinc/95/88/90/892958890.db2.gz VDUJGKUXJSWTGN-WPRPVWTQSA-N 0 3 261.322 -1.776 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@@H](C)NC(C)=O ZINC001485971359 892960360 /nfs/dbraw/zinc/96/03/60/892960360.db2.gz VDUJGKUXJSWTGN-PSASIEDQSA-N 0 3 261.322 -1.776 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H](C)NC(C)=O ZINC001485971361 892961184 /nfs/dbraw/zinc/96/11/84/892961184.db2.gz VDUJGKUXJSWTGN-WCBMZHEXSA-N 0 3 261.322 -1.776 20 0 CAADHN O=C(NC[C@H](CO)NCCn1cncn1)[C@@H]1COCCO1 ZINC001485976533 892965258 /nfs/dbraw/zinc/96/52/58/892965258.db2.gz LWNMBPMTXRWHBX-MNOVXSKESA-N 0 3 299.331 -2.240 20 0 CAADHN Cc1ocnc1C(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001485980933 892968804 /nfs/dbraw/zinc/96/88/04/892968804.db2.gz UUSTUYORRMOLAJ-JTQLQIEISA-N 0 3 294.315 -1.045 20 0 CAADHN CS(=O)(=O)CC(=O)NC[C@@H](CO)NCCO ZINC001485980587 892969100 /nfs/dbraw/zinc/96/91/00/892969100.db2.gz ROYCMZABNKWBBG-ZETCQYMHSA-N 0 3 254.308 -2.910 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](CO)NCc1ccc(CO)cc1 ZINC001485981958 892970265 /nfs/dbraw/zinc/97/02/65/892970265.db2.gz HPNGQFDMWKZUEM-LBPRGKRZSA-N 0 3 295.339 -1.379 20 0 CAADHN COCCN[C@H](CO)CNC(=O)CC1OCCCO1 ZINC001485988418 892971661 /nfs/dbraw/zinc/97/16/61/892971661.db2.gz GANJTAJUPKSMNO-JTQLQIEISA-N 0 3 276.333 -1.147 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cnnn1C ZINC001485989703 892972414 /nfs/dbraw/zinc/97/24/14/892972414.db2.gz CWIYMNVRZMBBAL-MRVPVSSYSA-N 0 3 257.294 -1.858 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cnnn1C ZINC001485989704 892972770 /nfs/dbraw/zinc/97/27/70/892972770.db2.gz CWIYMNVRZMBBAL-QMMMGPOBSA-N 0 3 257.294 -1.858 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCNC1=O)c1cc[nH]c1 ZINC001485998166 892977917 /nfs/dbraw/zinc/97/79/17/892977917.db2.gz DXHXOKRKZXUTKG-LLVKDONJSA-N 0 3 295.343 -1.280 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1ccc2nnnn2c1 ZINC001486015621 892982613 /nfs/dbraw/zinc/98/26/13/892982613.db2.gz YHNMTDMFNAXSHC-JTQLQIEISA-N 0 3 294.315 -1.549 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1ccc2nnnn2c1 ZINC001486015622 892983673 /nfs/dbraw/zinc/98/36/73/892983673.db2.gz YHNMTDMFNAXSHC-SNVBAGLBSA-N 0 3 294.315 -1.549 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1ccnc(OC)n1 ZINC001486015537 892983914 /nfs/dbraw/zinc/98/39/14/892983914.db2.gz WWESYTLZZRCGOG-VIFPVBQESA-N 0 3 284.316 -1.188 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC001486105994 893014829 /nfs/dbraw/zinc/01/48/29/893014829.db2.gz SXPKMXPBXYBELY-HTQZYQBOSA-N 0 3 256.306 -1.813 20 0 CAADHN NC(=O)C(=O)NC[C@@H](CO)NC[C@H](O)C1CCCCC1 ZINC001486029677 892990418 /nfs/dbraw/zinc/99/04/18/892990418.db2.gz BLDUSKPGZRDNPW-QWRGUYRKSA-N 0 3 287.360 -1.520 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NC[C@H](CO)NCCN1C(=O)CCC1=O ZINC001486028357 892991175 /nfs/dbraw/zinc/99/11/75/892991175.db2.gz SMJIHMSJIHHNEH-AXFHLTTASA-N 0 3 297.355 -1.142 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NC[C@@H](CO)NCCN1C(=O)CCC1=O ZINC001486028358 892991624 /nfs/dbraw/zinc/99/16/24/892991624.db2.gz SMJIHMSJIHHNEH-DCAQKATOSA-N 0 3 297.355 -1.142 20 0 CAADHN Cc1cc(CN[C@@H](CO)CNC(=O)c2ncn[nH]2)ncn1 ZINC001486044755 892997318 /nfs/dbraw/zinc/99/73/18/892997318.db2.gz SLMPYPURNCPQLD-SNVBAGLBSA-N 0 3 291.315 -1.216 20 0 CAADHN Cc1cc(CN[C@@H](CO)CNC(=O)c2nc[nH]n2)ncn1 ZINC001486044755 892997332 /nfs/dbraw/zinc/99/73/32/892997332.db2.gz SLMPYPURNCPQLD-SNVBAGLBSA-N 0 3 291.315 -1.216 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C[C@H]1CCC(=O)N1 ZINC001486043919 892998308 /nfs/dbraw/zinc/99/83/08/892998308.db2.gz KDJPLEMFQDCTAJ-ZJUUUORDSA-N 0 3 273.333 -1.632 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C[C@@H]1CCC(=O)N1 ZINC001486043917 892998447 /nfs/dbraw/zinc/99/84/47/892998447.db2.gz KDJPLEMFQDCTAJ-VHSXEESVSA-N 0 3 273.333 -1.632 20 0 CAADHN O=C(NC[C@@H](CO)NCCn1cncn1)c1ccncn1 ZINC001486043825 892999359 /nfs/dbraw/zinc/99/93/59/892999359.db2.gz NDMVZOFYUZACKW-JTQLQIEISA-N 0 3 291.315 -1.551 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)Cn1ccccc1=O ZINC001486058851 893002394 /nfs/dbraw/zinc/00/23/94/893002394.db2.gz CQSJDQDYDJADFZ-LLVKDONJSA-N 0 3 283.328 -1.439 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)Cn1cncn1 ZINC001486059007 893005111 /nfs/dbraw/zinc/00/51/11/893005111.db2.gz MCVKJEUIUCYAJE-SECBINFHSA-N 0 3 257.294 -2.009 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CNC(C)=O)[C@@H]1C ZINC001486071336 893011809 /nfs/dbraw/zinc/01/18/09/893011809.db2.gz RNDZKWUMOYUBQB-SCZZXKLOSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H]1C[C@H](NCCNS(C)(=O)=O)CN1C(=O)C(N)=O ZINC001486121064 893011893 /nfs/dbraw/zinc/01/18/93/893011893.db2.gz HNRIKOMCSRIQGL-SFYZADRCSA-N 0 3 292.361 -2.400 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)CNC(=O)NC)C1 ZINC001486113905 893012436 /nfs/dbraw/zinc/01/24/36/893012436.db2.gz JFOYNTOSKWTPSE-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC001486105995 893013032 /nfs/dbraw/zinc/01/30/32/893013032.db2.gz SXPKMXPBXYBELY-JGVFFNPUSA-N 0 3 256.306 -1.813 20 0 CAADHN C[C@@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)c1cc[nH]n1 ZINC001486072571 893012888 /nfs/dbraw/zinc/01/28/88/893012888.db2.gz PWYSHYOEUGBAND-HTQZYQBOSA-N 0 3 294.315 -1.203 20 0 CAADHN C[C@H]1C[C@H](NCCNS(C)(=O)=O)CN1C(=O)C(N)=O ZINC001486121065 893012926 /nfs/dbraw/zinc/01/29/26/893012926.db2.gz HNRIKOMCSRIQGL-YUMQZZPRSA-N 0 3 292.361 -2.400 20 0 CAADHN CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001486083037 893013212 /nfs/dbraw/zinc/01/32/12/893013212.db2.gz AGUVGQRESFTCTH-NXEZZACHSA-N 0 3 284.360 -1.177 20 0 CAADHN COCCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C[C@@H]1C ZINC001486098247 893013408 /nfs/dbraw/zinc/01/34/08/893013408.db2.gz MZUOVCAFACRKMQ-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001486085918 893013537 /nfs/dbraw/zinc/01/35/37/893013537.db2.gz SYBBZVFTVJMDKI-JGVFFNPUSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)[C@@H]1C ZINC001486080209 893014521 /nfs/dbraw/zinc/01/45/21/893014521.db2.gz UBELHYFVWUQXBP-PSASIEDQSA-N 0 3 294.359 -1.019 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)CNC(=O)NC)C1 ZINC001486113902 893015259 /nfs/dbraw/zinc/01/52/59/893015259.db2.gz JFOYNTOSKWTPSE-BDAKNGLRSA-N 0 3 285.348 -1.760 20 0 CAADHN C[C@@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)c1cc[nH]n1 ZINC001486072573 893016201 /nfs/dbraw/zinc/01/62/01/893016201.db2.gz PWYSHYOEUGBAND-SFYZADRCSA-N 0 3 294.315 -1.203 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC001486075877 893016555 /nfs/dbraw/zinc/01/65/55/893016555.db2.gz RICOZWCWKVPEBR-HTQZYQBOSA-N 0 3 256.306 -1.813 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)C(F)F)C(=O)NC(N)=O ZINC001486255138 893017618 /nfs/dbraw/zinc/01/76/18/893017618.db2.gz DVODZXXASQUTRA-RITPCOANSA-N 0 3 296.274 -1.756 20 0 CAADHN COCC(=O)N(C)C[C@H](O)CNCc1ccnn1C ZINC001486253180 893018274 /nfs/dbraw/zinc/01/82/74/893018274.db2.gz KPIDWZCNGAFFNV-LLVKDONJSA-N 0 3 270.333 -1.025 20 0 CAADHN COC[C@H](OC)C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC001486243465 893018477 /nfs/dbraw/zinc/01/84/77/893018477.db2.gz ROLQKCVATZGJCC-VHSXEESVSA-N 0 3 287.360 -1.040 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)C(N)=O)CC1(C)C)C(=O)NC1CC1 ZINC001486239474 893019105 /nfs/dbraw/zinc/01/91/05/893019105.db2.gz BUJZKYLDKNMDFX-PSASIEDQSA-N 0 3 296.371 -1.035 20 0 CAADHN COC[C@H](OC)C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001486243463 893019778 /nfs/dbraw/zinc/01/97/78/893019778.db2.gz ROLQKCVATZGJCC-UWVGGRQHSA-N 0 3 287.360 -1.040 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cccnc1 ZINC001486256406 893020024 /nfs/dbraw/zinc/02/00/24/893020024.db2.gz BFKJEBOCLSGSFZ-LLVKDONJSA-N 0 3 280.328 -1.150 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)C(C)(F)F ZINC001486257493 893020060 /nfs/dbraw/zinc/02/00/60/893020060.db2.gz LHJOLCRWFLTLKR-ZETCQYMHSA-N 0 3 267.276 -1.204 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC001486223638 893020543 /nfs/dbraw/zinc/02/05/43/893020543.db2.gz HNALFVQMMSPXIP-WPRPVWTQSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)C(F)F)C(=O)NC(N)=O ZINC001486255137 893020647 /nfs/dbraw/zinc/02/06/47/893020647.db2.gz DVODZXXASQUTRA-PHDIDXHHSA-N 0 3 296.274 -1.756 20 0 CAADHN C[C@@H](N[C@H]1CN(C(=O)C(N)=O)CC1(C)C)C(=O)NC1CC1 ZINC001486239478 893021651 /nfs/dbraw/zinc/02/16/51/893021651.db2.gz BUJZKYLDKNMDFX-SCZZXKLOSA-N 0 3 296.371 -1.035 20 0 CAADHN NC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC001486214344 893021733 /nfs/dbraw/zinc/02/17/33/893021733.db2.gz CVYMHJXVTOGHIA-BDAKNGLRSA-N 0 3 280.332 -1.293 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCCN(CCO)[C@H]1C ZINC001486175554 893022468 /nfs/dbraw/zinc/02/24/68/893022468.db2.gz DTSFIGCJHAOCNN-VHSXEESVSA-N 0 3 272.349 -1.123 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1cncs1 ZINC001486262796 893022791 /nfs/dbraw/zinc/02/27/91/893022791.db2.gz GOBAOQSPUBQRPV-MRVPVSSYSA-N 0 3 286.357 -1.088 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cccn1C)C(N)=O ZINC001486261969 893023282 /nfs/dbraw/zinc/02/32/82/893023282.db2.gz POAKLQKRYBTSKB-UWVGGRQHSA-N 0 3 282.344 -1.079 20 0 CAADHN CN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1ccnn1C ZINC001486262710 893023375 /nfs/dbraw/zinc/02/33/75/893023375.db2.gz FJYLWFXKWSRZCL-JTQLQIEISA-N 0 3 297.359 -1.469 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1cc(C)cn1 ZINC001486263722 893023520 /nfs/dbraw/zinc/02/35/20/893023520.db2.gz WMJSQFMPHYBMHH-LLVKDONJSA-N 0 3 297.359 -1.654 20 0 CAADHN COC[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001486266434 893024341 /nfs/dbraw/zinc/02/43/41/893024341.db2.gz UMXJTLOLNHJFAR-RKDXNWHRSA-N 0 3 261.322 -1.837 20 0 CAADHN Cc1ocnc1C(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001486263133 893024564 /nfs/dbraw/zinc/02/45/64/893024564.db2.gz LQBFRTONACWZGN-ZJUUUORDSA-N 0 3 296.327 -1.106 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cncs1 ZINC001486263864 893025089 /nfs/dbraw/zinc/02/50/89/893025089.db2.gz YSWCLCHRPUDNAR-SSDOTTSWSA-N 0 3 272.330 -1.349 20 0 CAADHN CC[C@H](NC[C@H](O)CN(C)C(=O)Cc1ccon1)C(N)=O ZINC001486265339 893025133 /nfs/dbraw/zinc/02/51/33/893025133.db2.gz BWMCQGZDORSARW-QWRGUYRKSA-N 0 3 298.343 -1.110 20 0 CAADHN COC[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001486266429 893025592 /nfs/dbraw/zinc/02/55/92/893025592.db2.gz UMXJTLOLNHJFAR-BDAKNGLRSA-N 0 3 261.322 -1.837 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cccn1C)C(N)=O ZINC001486261971 893025668 /nfs/dbraw/zinc/02/56/68/893025668.db2.gz POAKLQKRYBTSKB-ZJUUUORDSA-N 0 3 282.344 -1.079 20 0 CAADHN CC(C)OCC(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001486263182 893025759 /nfs/dbraw/zinc/02/57/59/893025759.db2.gz MXSOGTGNUGZSKJ-QWRGUYRKSA-N 0 3 287.360 -1.291 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1ccon1 ZINC001486264308 893026316 /nfs/dbraw/zinc/02/63/16/893026316.db2.gz CXLLQJBNYAMXRJ-BDAKNGLRSA-N 0 3 284.316 -1.168 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccon1 ZINC001486264185 893026359 /nfs/dbraw/zinc/02/63/59/893026359.db2.gz BQOKSMBUUPZASO-IUCAKERBSA-N 0 3 282.300 -1.414 20 0 CAADHN Cc1ocnc1C(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001486263132 893026452 /nfs/dbraw/zinc/02/64/52/893026452.db2.gz LQBFRTONACWZGN-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cncs1 ZINC001486263865 893026591 /nfs/dbraw/zinc/02/65/91/893026591.db2.gz YSWCLCHRPUDNAR-ZETCQYMHSA-N 0 3 272.330 -1.349 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccon1 ZINC001486267237 893026960 /nfs/dbraw/zinc/02/69/60/893026960.db2.gz QNFFPHIAGKCRDV-SSDOTTSWSA-N 0 3 256.262 -1.818 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC1CC1)C(=O)c1cocn1 ZINC001486266574 893027230 /nfs/dbraw/zinc/02/72/30/893027230.db2.gz VUNNXTIBSRABCG-SNVBAGLBSA-N 0 3 296.327 -1.024 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1ccon1)C(N)=O ZINC001486265337 893027708 /nfs/dbraw/zinc/02/77/08/893027708.db2.gz BWMCQGZDORSARW-GHMZBOCLSA-N 0 3 298.343 -1.110 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)[nH]n1 ZINC001486268067 893027768 /nfs/dbraw/zinc/02/77/68/893027768.db2.gz UVTGMBJXNRFKQA-VIFPVBQESA-N 0 3 283.332 -1.520 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cnsn1 ZINC001486266280 893027918 /nfs/dbraw/zinc/02/79/18/893027918.db2.gz ONJCASSAAVELGC-LURJTMIESA-N 0 3 273.318 -1.954 20 0 CAADHN Cc1nc([C@H](C)NC[C@@H](O)CN(C)C(=O)CC(N)=O)n[nH]1 ZINC001486265924 893028072 /nfs/dbraw/zinc/02/80/72/893028072.db2.gz FHODFNAIISYBQV-IONNQARKSA-N 0 3 298.347 -1.542 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1ccon1 ZINC001486264309 893028112 /nfs/dbraw/zinc/02/81/12/893028112.db2.gz CXLLQJBNYAMXRJ-DTWKUNHWSA-N 0 3 284.316 -1.168 20 0 CAADHN Cc1cncc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)c1 ZINC001486267581 893028155 /nfs/dbraw/zinc/02/81/55/893028155.db2.gz LVJCKRGNPNYLAM-NSHDSACASA-N 0 3 280.328 -1.102 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001486275475 893028356 /nfs/dbraw/zinc/02/83/56/893028356.db2.gz PYCGXKIPWMQLEC-SFYZADRCSA-N 0 3 284.320 -2.289 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)C1=CCOCC1 ZINC001486272243 893028381 /nfs/dbraw/zinc/02/83/81/893028381.db2.gz HPBTWNYIWTWHBB-SNVBAGLBSA-N 0 3 271.317 -1.773 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cc1ccoc1 ZINC001486272876 893028512 /nfs/dbraw/zinc/02/85/12/893028512.db2.gz POCDZNTUNNVYHG-JTQLQIEISA-N 0 3 269.301 -1.284 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)c1cn(C)nn1 ZINC001486275828 893028890 /nfs/dbraw/zinc/02/88/90/893028890.db2.gz WQBIXQALNVKHDT-BDAKNGLRSA-N 0 3 298.347 -2.028 20 0 CAADHN COc1cc(C(=O)N(C)C[C@H](O)CNCC(N)=O)on1 ZINC001486272356 893028948 /nfs/dbraw/zinc/02/89/48/893028948.db2.gz WPDFURHOUMVCEU-SSDOTTSWSA-N 0 3 286.288 -1.809 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCCCO1 ZINC001486270512 893028978 /nfs/dbraw/zinc/02/89/78/893028978.db2.gz FULQARBVDPYFAH-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)CC(C)(C)O ZINC001486275746 893029320 /nfs/dbraw/zinc/02/93/20/893029320.db2.gz UZVIZSNVSQJKOH-VHSXEESVSA-N 0 3 287.360 -1.555 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001486274047 893029398 /nfs/dbraw/zinc/02/93/98/893029398.db2.gz KHARZENJYAOQLZ-JTQLQIEISA-N 0 3 297.359 -1.042 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cn(C)nn1 ZINC001486275760 893029509 /nfs/dbraw/zinc/02/95/09/893029509.db2.gz VLBYHVHLTBVPTM-BDAKNGLRSA-N 0 3 296.331 -2.274 20 0 CAADHN CCn1ccnc1C(=O)N(C)C[C@@H](O)CN[C@H](C)C(N)=O ZINC001486274833 893029746 /nfs/dbraw/zinc/02/97/46/893029746.db2.gz LYGRKNAKWYUMLW-ZJUUUORDSA-N 0 3 297.359 -1.201 20 0 CAADHN CN(C[C@@H](O)CNCc1cncs1)C(=O)CC(N)=O ZINC001486268997 893030002 /nfs/dbraw/zinc/03/00/02/893030002.db2.gz VJVPFISORUSTOE-QMMMGPOBSA-N 0 3 286.357 -1.073 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cc1cccnc1 ZINC001486272437 893030150 /nfs/dbraw/zinc/03/01/50/893030150.db2.gz XSIKOLGTNDBDIJ-LLVKDONJSA-N 0 3 280.328 -1.482 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](OC)C1CC1 ZINC001486274138 893030652 /nfs/dbraw/zinc/03/06/52/893030652.db2.gz GOLOIOCYMZHJLW-PWSUYJOCSA-N 0 3 287.360 -1.434 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001486268248 893030695 /nfs/dbraw/zinc/03/06/95/893030695.db2.gz RCCQOHUBBVQFAO-SECBINFHSA-N 0 3 288.348 -2.251 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)Cc1ccoc1 ZINC001486272877 893030803 /nfs/dbraw/zinc/03/08/03/893030803.db2.gz POCDZNTUNNVYHG-SNVBAGLBSA-N 0 3 269.301 -1.284 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1ccon1)C(N)=O ZINC001486268144 893030842 /nfs/dbraw/zinc/03/08/42/893030842.db2.gz VLLXKBQDARTZEM-HTQZYQBOSA-N 0 3 270.289 -1.429 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](OC)C1CC1 ZINC001486274139 893031601 /nfs/dbraw/zinc/03/16/01/893031601.db2.gz GOLOIOCYMZHJLW-ZYHUDNBSSA-N 0 3 287.360 -1.434 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](O)C(C)C ZINC001486274798 893032219 /nfs/dbraw/zinc/03/22/19/893032219.db2.gz LMVADBXATQWHPY-GXSJLCMTSA-N 0 3 275.349 -1.842 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)c1cn(C)cn1 ZINC001486272593 893032612 /nfs/dbraw/zinc/03/26/12/893032612.db2.gz ZWHPNSMGQJZAQN-SNVBAGLBSA-N 0 3 297.359 -1.469 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CN(C)C(=O)c1cn[nH]c1 ZINC001486268127 893032649 /nfs/dbraw/zinc/03/26/49/893032649.db2.gz VEODBUOLZJQHDO-NSHDSACASA-N 0 3 297.359 -1.090 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1cncnc1 ZINC001486272639 893033386 /nfs/dbraw/zinc/03/33/86/893033386.db2.gz LAGGTOWMBKNYJY-NSHDSACASA-N 0 3 295.343 -1.365 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C1=CCOCC1 ZINC001486272242 893033562 /nfs/dbraw/zinc/03/35/62/893033562.db2.gz HPBTWNYIWTWHBB-JTQLQIEISA-N 0 3 271.317 -1.773 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001486286779 893034168 /nfs/dbraw/zinc/03/41/68/893034168.db2.gz RJBCUCFZAIJPQH-ZJUUUORDSA-N 0 3 296.364 -1.201 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@@H](O)CNCCF)S(C)(=O)=O ZINC001486286485 893034274 /nfs/dbraw/zinc/03/42/74/893034274.db2.gz UZELZBFSVGXSAU-IUCAKERBSA-N 0 3 284.353 -1.202 20 0 CAADHN COc1ccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)cn1 ZINC001486286672 893035133 /nfs/dbraw/zinc/03/51/33/893035133.db2.gz PHFZJBMIRWXRNX-JTQLQIEISA-N 0 3 296.327 -1.402 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@H](O)CNCCF)S(C)(=O)=O ZINC001486286484 893035210 /nfs/dbraw/zinc/03/52/10/893035210.db2.gz UZELZBFSVGXSAU-DTWKUNHWSA-N 0 3 284.353 -1.202 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccc(=O)n(C)c1 ZINC001486288179 893035512 /nfs/dbraw/zinc/03/55/12/893035512.db2.gz NIMMOVZPWOIMFR-SNVBAGLBSA-N 0 3 296.327 -2.107 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)c1cc[nH]c1 ZINC001486278732 893035746 /nfs/dbraw/zinc/03/57/46/893035746.db2.gz CGHFFOWXVNGIDI-QWRGUYRKSA-N 0 3 280.328 -1.074 20 0 CAADHN CNC(=O)NCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001486278261 893035788 /nfs/dbraw/zinc/03/57/88/893035788.db2.gz HIKNRGNAGUUSBA-YUMQZZPRSA-N 0 3 289.336 -2.802 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)C[C@H]1CCNC1=O ZINC001486281248 893035873 /nfs/dbraw/zinc/03/58/73/893035873.db2.gz NZWLFWAHTBJPBD-BDAKNGLRSA-N 0 3 286.332 -2.593 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1cc[nH]c1 ZINC001486278731 893036229 /nfs/dbraw/zinc/03/62/29/893036229.db2.gz CGHFFOWXVNGIDI-MNOVXSKESA-N 0 3 280.328 -1.074 20 0 CAADHN CCCn1nccc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001486281914 893036604 /nfs/dbraw/zinc/03/66/04/893036604.db2.gz UWNVSUTWDXXWRE-JTQLQIEISA-N 0 3 297.359 -1.199 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccc(=O)n(C)c1 ZINC001486288178 893036859 /nfs/dbraw/zinc/03/68/59/893036859.db2.gz NIMMOVZPWOIMFR-JTQLQIEISA-N 0 3 296.327 -2.107 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cc[nH]c1 ZINC001486278459 893037224 /nfs/dbraw/zinc/03/72/24/893037224.db2.gz ASWRISKMXDPRBY-VIFPVBQESA-N 0 3 254.290 -1.478 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccns1 ZINC001486277798 893037257 /nfs/dbraw/zinc/03/72/57/893037257.db2.gz BFOVMSIJHUKLGT-SSDOTTSWSA-N 0 3 272.330 -1.349 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001486286777 893037447 /nfs/dbraw/zinc/03/74/47/893037447.db2.gz RJBCUCFZAIJPQH-VHSXEESVSA-N 0 3 296.364 -1.201 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1[nH]c(=O)[nH]c1C ZINC001486283445 893037571 /nfs/dbraw/zinc/03/75/71/893037571.db2.gz XMGIPDQMLBGSIR-QMMMGPOBSA-N 0 3 299.331 -1.808 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001486286776 893037611 /nfs/dbraw/zinc/03/76/11/893037611.db2.gz RJBCUCFZAIJPQH-UWVGGRQHSA-N 0 3 296.364 -1.201 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001486286774 893038160 /nfs/dbraw/zinc/03/81/60/893038160.db2.gz RJBCUCFZAIJPQH-NXEZZACHSA-N 0 3 296.364 -1.201 20 0 CAADHN C[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)S(C)(=O)=O ZINC001486284925 893038242 /nfs/dbraw/zinc/03/82/42/893038242.db2.gz MDPGPPHYQHCONM-YUMQZZPRSA-N 0 3 295.361 -2.686 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1ccnnc1)C(N)=O ZINC001486301639 893038999 /nfs/dbraw/zinc/03/89/99/893038999.db2.gz PRPMBLDQHIWNPQ-WPRPVWTQSA-N 0 3 281.316 -1.627 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)C(N)=O)C(=O)N(C)C ZINC001486298512 893039037 /nfs/dbraw/zinc/03/90/37/893039037.db2.gz QGVIMFGBWVHWDA-HTQZYQBOSA-N 0 3 274.321 -2.643 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)Cc1cnoc1)C(N)=O ZINC001486296402 893039119 /nfs/dbraw/zinc/03/91/19/893039119.db2.gz PYCQTKLQSUAQJL-PSASIEDQSA-N 0 3 284.316 -1.500 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001486297415 893039902 /nfs/dbraw/zinc/03/99/02/893039902.db2.gz WBFJETPATFVWMA-RNWYCLNJSA-N 0 3 299.371 -1.578 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccnnc1 ZINC001486300657 893039931 /nfs/dbraw/zinc/03/99/31/893039931.db2.gz GBTDUNJXHVJQBD-GHMZBOCLSA-N 0 3 293.327 -1.612 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)Cn1cncc1C ZINC001486289714 893040040 /nfs/dbraw/zinc/04/00/40/893040040.db2.gz QKCDFENZXOUQJP-LLVKDONJSA-N 0 3 297.359 -1.654 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001486292673 893040450 /nfs/dbraw/zinc/04/04/50/893040450.db2.gz NAVFRUOBHLGYHH-YUMQZZPRSA-N 0 3 284.320 -1.991 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccnnc1 ZINC001486300727 893041023 /nfs/dbraw/zinc/04/10/23/893041023.db2.gz GBTDUNJXHVJQBD-WDEREUQCSA-N 0 3 293.327 -1.612 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCNC1=O)C(=O)c1n[nH]cc1F ZINC001486298983 893041234 /nfs/dbraw/zinc/04/12/34/893041234.db2.gz BENYUCAUYZNSBB-VXNVDRBHSA-N 0 3 299.306 -1.540 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCc1nccn1C ZINC001486289515 893041702 /nfs/dbraw/zinc/04/17/02/893041702.db2.gz BZHCZURBSKXIFD-SNVBAGLBSA-N 0 3 297.359 -1.753 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccnnc1 ZINC001486300659 893042540 /nfs/dbraw/zinc/04/25/40/893042540.db2.gz GBTDUNJXHVJQBD-MNOVXSKESA-N 0 3 293.327 -1.612 20 0 CAADHN CC[C@H](C)NC(=O)CNC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001486298615 893043710 /nfs/dbraw/zinc/04/37/10/893043710.db2.gz SRMNUYFJOUDLRG-DTWKUNHWSA-N 0 3 288.348 -2.205 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)Cc1ncc[nH]1)C(N)=O ZINC001486307227 893044542 /nfs/dbraw/zinc/04/45/42/893044542.db2.gz OLNCTVZBIKIGGE-ZJUUUORDSA-N 0 3 297.359 -1.375 20 0 CAADHN Cc1cc(CCC(=O)N(C)C[C@H](O)CNCC(N)=O)no1 ZINC001486310772 893045137 /nfs/dbraw/zinc/04/51/37/893045137.db2.gz LHDFKYPMZBBMKU-LLVKDONJSA-N 0 3 298.343 -1.190 20 0 CAADHN CN(C[C@@H](O)C[NH2+][C@H]1CCN(C)C1=O)C(=O)c1nc[n-]n1 ZINC001486306044 893045355 /nfs/dbraw/zinc/04/53/55/893045355.db2.gz RHWYJIAZEGRWRP-IUCAKERBSA-N 0 3 296.331 -1.942 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cnon1 ZINC001486305464 893045599 /nfs/dbraw/zinc/04/55/99/893045599.db2.gz GQOKCRALFRQKOS-LURJTMIESA-N 0 3 257.250 -2.423 20 0 CAADHN CN(C[C@@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)c1nc[n-]n1 ZINC001486306043 893046138 /nfs/dbraw/zinc/04/61/38/893046138.db2.gz RHWYJIAZEGRWRP-DTWKUNHWSA-N 0 3 296.331 -1.942 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001486308943 893046255 /nfs/dbraw/zinc/04/62/55/893046255.db2.gz CJPJUPHJNOKAAG-HLTSFMKQSA-N 0 3 286.332 -2.737 20 0 CAADHN C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)c1nc[n-]n1)C(N)=O ZINC001486305235 893046299 /nfs/dbraw/zinc/04/62/99/893046299.db2.gz BGTNAUVCUJDDRT-NKWVEPMBSA-N 0 3 270.293 -2.299 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cnon1 ZINC001486305465 893046487 /nfs/dbraw/zinc/04/64/87/893046487.db2.gz GQOKCRALFRQKOS-ZCFIWIBFSA-N 0 3 257.250 -2.423 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001486308986 893046524 /nfs/dbraw/zinc/04/65/24/893046524.db2.gz CTZYZXWQHMCFBG-HLTSFMKQSA-N 0 3 261.297 -1.514 20 0 CAADHN COc1cccc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001486308779 893046563 /nfs/dbraw/zinc/04/65/63/893046563.db2.gz SGXYUTWZJJKTOR-VIFPVBQESA-N 0 3 296.327 -1.402 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N(C)C[C@@H](O)CNCCF ZINC001486314774 893047139 /nfs/dbraw/zinc/04/71/39/893047139.db2.gz YSDMZYHVBBFUSP-VIFPVBQESA-N 0 3 299.368 -1.744 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)CCc1cn[nH]c1)C(N)=O ZINC001486304026 893047267 /nfs/dbraw/zinc/04/72/67/893047267.db2.gz DZPQCEMQLWEYIH-MWLCHTKSSA-N 0 3 297.359 -1.375 20 0 CAADHN CN(C[C@H](O)C[NH2+][C@@H]1CCN(C)C1=O)C(=O)c1nc[n-]n1 ZINC001486306045 893047395 /nfs/dbraw/zinc/04/73/95/893047395.db2.gz RHWYJIAZEGRWRP-RKDXNWHRSA-N 0 3 296.331 -1.942 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N(C)C[C@H](O)CNCCF ZINC001486314754 893047486 /nfs/dbraw/zinc/04/74/86/893047486.db2.gz YSDMZYHVBBFUSP-SECBINFHSA-N 0 3 299.368 -1.744 20 0 CAADHN CCn1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)nn1 ZINC001486308671 893048076 /nfs/dbraw/zinc/04/80/76/893048076.db2.gz QHWQRBYPRSYDGN-QMMMGPOBSA-N 0 3 284.320 -2.194 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CCn1cnnn1 ZINC001486306934 893048484 /nfs/dbraw/zinc/04/84/84/893048484.db2.gz JTAUVCNOELZFLU-MRVPVSSYSA-N 0 3 285.308 -3.043 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001486321036 893049690 /nfs/dbraw/zinc/04/96/90/893049690.db2.gz YKZAKYOIOADAFB-BDAKNGLRSA-N 0 3 297.315 -1.711 20 0 CAADHN Cc1c[nH]cc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001486316647 893050435 /nfs/dbraw/zinc/05/04/35/893050435.db2.gz GAJSBFZYUZTKBW-VIFPVBQESA-N 0 3 268.317 -1.169 20 0 CAADHN Cc1cnn(CCC(=O)N(C)C[C@H](O)CNCC(N)=O)c1 ZINC001486318995 893050484 /nfs/dbraw/zinc/05/04/84/893050484.db2.gz WJEZZPDHEIUHPK-LLVKDONJSA-N 0 3 297.359 -1.524 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@@H](O)CN[C@@H](C)C(N)=O ZINC001486318969 893051844 /nfs/dbraw/zinc/05/18/44/893051844.db2.gz FNGIPPDTUSQCKE-YUMQZZPRSA-N 0 3 285.304 -1.726 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001486323823 893052115 /nfs/dbraw/zinc/05/21/15/893052115.db2.gz FTWWPISWAZZBTR-VIFPVBQESA-N 0 3 284.316 -1.461 20 0 CAADHN CCc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)nn1C ZINC001486322402 893052155 /nfs/dbraw/zinc/05/21/55/893052155.db2.gz SNCSPGBLCUETRO-JTQLQIEISA-N 0 3 297.359 -1.510 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001486324004 893053083 /nfs/dbraw/zinc/05/30/83/893053083.db2.gz GLYMGQBCCYKIBI-MWLCHTKSSA-N 0 3 275.349 -1.746 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)Cn1ccnc1)C(N)=O ZINC001486320552 893054591 /nfs/dbraw/zinc/05/45/91/893054591.db2.gz VCTAHKZONQLYLP-UWVGGRQHSA-N 0 3 283.332 -1.834 20 0 CAADHN Cc1nonc1C(=O)N(C)C[C@H](O)CN[C@@H]1CCNC1=O ZINC001486321041 893054771 /nfs/dbraw/zinc/05/47/71/893054771.db2.gz YKZAKYOIOADAFB-RKDXNWHRSA-N 0 3 297.315 -1.711 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001486323998 893055068 /nfs/dbraw/zinc/05/50/68/893055068.db2.gz GLYMGQBCCYKIBI-GXSJLCMTSA-N 0 3 275.349 -1.746 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001486323822 893055133 /nfs/dbraw/zinc/05/51/33/893055133.db2.gz FTWWPISWAZZBTR-SECBINFHSA-N 0 3 284.316 -1.461 20 0 CAADHN CC(C)OCCN(C)C[C@@H](O)CN(C)C(=O)C(N)=O ZINC001486347807 893056243 /nfs/dbraw/zinc/05/62/43/893056243.db2.gz SEUWVUKZSLTXRC-SNVBAGLBSA-N 0 3 275.349 -1.352 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001486334937 893056659 /nfs/dbraw/zinc/05/66/59/893056659.db2.gz MWOAWJUVJCSZRG-VIFPVBQESA-N 0 3 256.306 -1.233 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1nccnc1N ZINC001486331501 893056842 /nfs/dbraw/zinc/05/68/42/893056842.db2.gz BWLJMAWEOBCZMM-VIFPVBQESA-N 0 3 283.332 -1.584 20 0 CAADHN C[C@H](CC(=O)N(C)C[C@H](O)CN(C)CCO)NC(N)=O ZINC001486335850 893057728 /nfs/dbraw/zinc/05/77/28/893057728.db2.gz XGKVKMYLWCYDAA-NXEZZACHSA-N 0 3 290.364 -1.823 20 0 CAADHN CC(C)OCCN(C)C[C@H](O)CN(C)C(=O)C(N)=O ZINC001486347806 893059150 /nfs/dbraw/zinc/05/91/50/893059150.db2.gz SEUWVUKZSLTXRC-JTQLQIEISA-N 0 3 275.349 -1.352 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)c1ncc[nH]1 ZINC001486334936 893063297 /nfs/dbraw/zinc/06/32/97/893063297.db2.gz MWOAWJUVJCSZRG-SECBINFHSA-N 0 3 256.306 -1.233 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001486346454 893063862 /nfs/dbraw/zinc/06/38/62/893063862.db2.gz HCEFSNPDDOZHQL-JTQLQIEISA-N 0 3 298.343 -1.152 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001486346454 893063879 /nfs/dbraw/zinc/06/38/79/893063879.db2.gz HCEFSNPDDOZHQL-JTQLQIEISA-N 0 3 298.343 -1.152 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001486343722 893064121 /nfs/dbraw/zinc/06/41/21/893064121.db2.gz DUHWFANQNSVAQF-UWVGGRQHSA-N 0 3 288.348 -2.247 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)C1(C(N)=O)CC1 ZINC001486411514 893065083 /nfs/dbraw/zinc/06/50/83/893065083.db2.gz SKCLVCKSHOHCHL-MRVPVSSYSA-N 0 3 284.360 -1.142 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)C1CCN([C@H]2CCN(C)C2=O)CC1 ZINC001486439546 893065374 /nfs/dbraw/zinc/06/53/74/893065374.db2.gz CGFWQQWUGMGVOS-KOLCDFICSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)(C)[C@H](C[NH2+]CC(N)=O)NC(=O)Cc1nnc[n-]1 ZINC001486418057 893066327 /nfs/dbraw/zinc/06/63/27/893066327.db2.gz QEGLFDFIFZDHFU-QMMMGPOBSA-N 0 3 282.348 -1.047 20 0 CAADHN COCCN(CCNC(=O)C(N)=O)C[C@@H]1CCOC1 ZINC001486432528 893069934 /nfs/dbraw/zinc/06/99/34/893069934.db2.gz YYHVUSHLTIOGED-JTQLQIEISA-N 0 3 273.333 -1.427 20 0 CAADHN C[C@H](NC[C@H](NC(=O)CC(N)=O)C(C)(C)C)C(N)=O ZINC001486390680 893069978 /nfs/dbraw/zinc/06/99/78/893069978.db2.gz LOVRZYFFNHVFBU-YUMQZZPRSA-N 0 3 272.349 -1.144 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001486355350 893070279 /nfs/dbraw/zinc/07/02/79/893070279.db2.gz GFSKKLZWKCOYOT-LLVKDONJSA-N 0 3 285.348 -1.324 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)Cn1cncn1 ZINC001486357207 893070706 /nfs/dbraw/zinc/07/07/06/893070706.db2.gz RZFWSNHWIZNPNF-SNVBAGLBSA-N 0 3 271.321 -1.979 20 0 CAADHN CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001486410991 893071016 /nfs/dbraw/zinc/07/10/16/893071016.db2.gz LXACXNCXJJUYEC-SECBINFHSA-N 0 3 295.343 -1.011 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)Cn1ccccc1=O ZINC001486354905 893071333 /nfs/dbraw/zinc/07/13/33/893071333.db2.gz CPSRNRXALUPXQV-LBPRGKRZSA-N 0 3 297.355 -1.408 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)Cn1cncn1 ZINC001486355351 893071508 /nfs/dbraw/zinc/07/15/08/893071508.db2.gz GFSKKLZWKCOYOT-NSHDSACASA-N 0 3 285.348 -1.324 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)CCOCCN[C@@H](C)C(N)=O ZINC001486495597 893071759 /nfs/dbraw/zinc/07/17/59/893071759.db2.gz AHJGEGNRQMOINM-VIFPVBQESA-N 0 3 298.347 -1.335 20 0 CAADHN C[C@@H]1CO[C@H](C(=O)N(C)CCOCCNCC(N)=O)C1 ZINC001486495052 893072628 /nfs/dbraw/zinc/07/26/28/893072628.db2.gz HZEVAXADFNHJGZ-QWRGUYRKSA-N 0 3 287.360 -1.039 20 0 CAADHN CN(C(=O)C(N)=O)C1CC(NCC(=O)Nc2ccon2)C1 ZINC001486475794 893072673 /nfs/dbraw/zinc/07/26/73/893072673.db2.gz WVEMTGMEBUAENN-UHFFFAOYSA-N 0 3 295.299 -1.323 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)CCOCCN[C@H](C)C(N)=O ZINC001486495590 893073697 /nfs/dbraw/zinc/07/36/97/893073697.db2.gz AHJGEGNRQMOINM-SECBINFHSA-N 0 3 298.347 -1.335 20 0 CAADHN O=C(CN1CCOCC1=O)NCC1=CCN(CCO)CC1 ZINC001486509888 893074223 /nfs/dbraw/zinc/07/42/23/893074223.db2.gz FOXKACPINSMAFP-UHFFFAOYSA-N 0 3 297.355 -1.414 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1ncccn1 ZINC001486498817 893076027 /nfs/dbraw/zinc/07/60/27/893076027.db2.gz FFETVERFGDPABJ-UHFFFAOYSA-N 0 3 281.316 -1.360 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1c[nH]c(=O)cn1 ZINC001486497936 893076152 /nfs/dbraw/zinc/07/61/52/893076152.db2.gz XPERAEHQXVBFRC-UHFFFAOYSA-N 0 3 297.315 -2.067 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001486727030 893078026 /nfs/dbraw/zinc/07/80/26/893078026.db2.gz HGQKBOQQRUUTHQ-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@H](C(=O)N(C)[C@H](C)CNC(=O)C(N)=O)N(C)C ZINC001486977469 893084025 /nfs/dbraw/zinc/08/40/25/893084025.db2.gz DQKHOBKMSFLGCN-RKDXNWHRSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@@H](NC(=O)CC(N)=O)C1CN(C(=O)CN2CCCC2)C1 ZINC001487163226 893090624 /nfs/dbraw/zinc/09/06/24/893090624.db2.gz XMPXLRHUHCHBKP-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21)N(C)C ZINC001487335602 893092983 /nfs/dbraw/zinc/09/29/83/893092983.db2.gz ANTGEMHPGQBNBS-MMWGEVLESA-N 0 3 296.371 -1.368 20 0 CAADHN CC[C@H](C(=O)N1C[C@@H]2[C@@H](CNC(=O)C(N)=O)[C@@H]2C1)N(C)C ZINC001487331915 893093039 /nfs/dbraw/zinc/09/30/39/893093039.db2.gz JPSJKWXUPHVCSH-CHWFTXMASA-N 0 3 296.371 -1.368 20 0 CAADHN CCCN(C)CC(=O)N(C)C[C@@H](C)NC(=O)C(N)=O ZINC001487856588 893103543 /nfs/dbraw/zinc/10/35/43/893103543.db2.gz VWGVHZSIAVDKSM-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CCCN(C)CC(=O)N(C)C[C@H](C)NC(=O)C(N)=O ZINC001487856591 893103759 /nfs/dbraw/zinc/10/37/59/893103759.db2.gz VWGVHZSIAVDKSM-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)NC(=O)C(N)=O ZINC001487806389 893103786 /nfs/dbraw/zinc/10/37/86/893103786.db2.gz ZSVLVPXFDQVHBJ-VIFPVBQESA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@H](C)OC)N(C)C ZINC001487950824 893116986 /nfs/dbraw/zinc/11/69/86/893116986.db2.gz CVOMSRIIVHPQBH-DCAQKATOSA-N 0 3 289.376 -1.045 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)[C@@H](C)OC)N(C)C ZINC001487950825 893118017 /nfs/dbraw/zinc/11/80/17/893118017.db2.gz CVOMSRIIVHPQBH-MXWKQRLJSA-N 0 3 289.376 -1.045 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](CO)CNC(=O)[C@H](C)OC)N(C)C ZINC001487950818 893118771 /nfs/dbraw/zinc/11/87/71/893118771.db2.gz CVOMSRIIVHPQBH-AXFHLTTASA-N 0 3 289.376 -1.045 20 0 CAADHN CN(C)C1(C(=O)NC[C@H](CO)NC(=O)C(N)=O)CCC1 ZINC001488018730 893132156 /nfs/dbraw/zinc/13/21/56/893132156.db2.gz LBGAHTACKBEHEO-MRVPVSSYSA-N 0 3 286.332 -2.451 20 0 CAADHN CC[C@H](C(=O)NC[C@H](CO)NC(=O)C(N)=O)N(C)C ZINC001488028470 893132661 /nfs/dbraw/zinc/13/26/61/893132661.db2.gz DYGOBZXRNKYFCT-HTQZYQBOSA-N 0 3 274.321 -2.595 20 0 CAADHN CC(=O)N[C@@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001488054004 893135204 /nfs/dbraw/zinc/13/52/04/893135204.db2.gz AQUOBZQULHHQNB-SECBINFHSA-N 0 3 254.290 -1.126 20 0 CAADHN CC(=O)N[C@H](CO)CNC(=O)Cc1nc[nH]c1C ZINC001488054005 893135994 /nfs/dbraw/zinc/13/59/94/893135994.db2.gz AQUOBZQULHHQNB-VIFPVBQESA-N 0 3 254.290 -1.126 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](CO)NC(=O)C(N)=O)N(C)C ZINC001488047763 893136229 /nfs/dbraw/zinc/13/62/29/893136229.db2.gz DYGOBZXRNKYFCT-SFYZADRCSA-N 0 3 274.321 -2.595 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H](C)OC)N(C)C ZINC001488098254 893144100 /nfs/dbraw/zinc/14/41/00/893144100.db2.gz FQAMVROHCGZDQE-VWYCJHECSA-N 0 3 289.376 -1.045 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@H](CO)NC(=O)C(N)=O)C1 ZINC001488097393 893144301 /nfs/dbraw/zinc/14/43/01/893144301.db2.gz DYBMGDIAHTYMPH-DTWKUNHWSA-N 0 3 286.332 -2.593 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@@H](CO)NC(=O)C(N)=O)C1 ZINC001488097392 893144781 /nfs/dbraw/zinc/14/47/81/893144781.db2.gz DYBMGDIAHTYMPH-BDAKNGLRSA-N 0 3 286.332 -2.593 20 0 CAADHN CCN1CC[C@@H]1CN(C)C(=O)CNS(=O)(=O)NC ZINC001488643544 893165131 /nfs/dbraw/zinc/16/51/31/893165131.db2.gz BIDLLHDTLXNOMH-SECBINFHSA-N 0 3 278.378 -1.407 20 0 CAADHN CCN1CC[C@H]1CN(C)C(=O)CNS(=O)(=O)NC ZINC001488643553 893165257 /nfs/dbraw/zinc/16/52/57/893165257.db2.gz BIDLLHDTLXNOMH-VIFPVBQESA-N 0 3 278.378 -1.407 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2nnc[n-]2)C1 ZINC001488726275 893165352 /nfs/dbraw/zinc/16/53/52/893165352.db2.gz RCYMDOWPBVDKMR-DTORHVGOSA-N 0 3 280.332 -1.293 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001489154695 893171013 /nfs/dbraw/zinc/17/10/13/893171013.db2.gz HAZXDFXUECJQCZ-SNVBAGLBSA-N 0 3 273.333 -1.861 20 0 CAADHN O=C(Cn1ncnn1)N1CCC[C@H](N(CCO)CCO)C1 ZINC001489159930 893171838 /nfs/dbraw/zinc/17/18/38/893171838.db2.gz CIWIXACAQOTRCX-NSHDSACASA-N 0 3 298.347 -2.049 20 0 CAADHN C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001488873853 893172427 /nfs/dbraw/zinc/17/24/27/893172427.db2.gz ZWAKVROUYTVBNX-IWSPIJDZSA-N 0 3 280.332 -1.295 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@H](N(CCO)CCO)C1 ZINC001489154694 893172450 /nfs/dbraw/zinc/17/24/50/893172450.db2.gz HAZXDFXUECJQCZ-JTQLQIEISA-N 0 3 273.333 -1.861 20 0 CAADHN C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CNCC(=O)N2CCC2)C1 ZINC001489044453 893172515 /nfs/dbraw/zinc/17/25/15/893172515.db2.gz VTNCBNXISYNQAI-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CO[C@H](C)CN(CCO)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001489171233 893176342 /nfs/dbraw/zinc/17/63/42/893176342.db2.gz YMDADJLRVYSGAQ-GHMZBOCLSA-N 0 3 287.360 -1.208 20 0 CAADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)CCNC(N)=O)C1 ZINC001489241743 893176519 /nfs/dbraw/zinc/17/65/19/893176519.db2.gz WACSSBAZBBMCCL-SNVBAGLBSA-N 0 3 299.375 -1.109 20 0 CAADHN CS(=O)(=O)CC(=O)NCC1CC(NCC(N)=O)C1 ZINC001489379463 893179724 /nfs/dbraw/zinc/17/97/24/893179724.db2.gz ZTTSVHHBDOQSPD-UHFFFAOYSA-N 0 3 277.346 -1.999 20 0 CAADHN CN(C)C1(C(=O)N[C@H]2C[C@@H](CNC(=O)C(N)=O)C2)CCC1 ZINC001489844742 893186869 /nfs/dbraw/zinc/18/68/69/893186869.db2.gz IRWHWVOHOQXWMI-AOOOYVTPSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)C(N)=O)N(C)C ZINC001489777964 893187363 /nfs/dbraw/zinc/18/73/63/893187363.db2.gz QCVRUKRCSMHWFE-UWVGGRQHSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@H]2CN(C)C(=O)C(N)=O)C1 ZINC001489779111 893188272 /nfs/dbraw/zinc/18/82/72/893188272.db2.gz YPZWMCXKJJQJMQ-QWRGUYRKSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(CCCNC(=O)[C@H]1COC(=O)N1)[C@H]1CCCNC1=O ZINC001490188526 893190377 /nfs/dbraw/zinc/19/03/77/893190377.db2.gz YJIQQKBYYWVXAB-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN Cc1nnc(CC(=O)NCCCN(C)[C@@H]2CCNC2=O)[nH]1 ZINC001490193647 893191484 /nfs/dbraw/zinc/19/14/84/893191484.db2.gz VZULDIIOHJFFHN-SNVBAGLBSA-N 0 3 294.359 -1.018 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCCN(C)[C@H]1CCCNC1=O ZINC001490181939 893192487 /nfs/dbraw/zinc/19/24/87/893192487.db2.gz SWOFMVFSSJFPBC-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CN(CCCNC(=O)[C@@H]1CCNC1=O)[C@@H]1CCCNC1=O ZINC001490233882 893194201 /nfs/dbraw/zinc/19/42/01/893194201.db2.gz RGETWBRGAWNQTE-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CCCCN1C(=O)CC(N)=O ZINC001490291677 893196228 /nfs/dbraw/zinc/19/62/28/893196228.db2.gz PNKSAKSHZATDBE-DTWKUNHWSA-N 0 3 270.333 -1.294 20 0 CAADHN CN(CCCNC(=O)[C@H]1CCNC1=O)[C@@H]1CCCNC1=O ZINC001490233877 893196405 /nfs/dbraw/zinc/19/64/05/893196405.db2.gz RGETWBRGAWNQTE-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CCCNC(=O)[C@H]1C[C@H]1C(N)=O)[C@@H](C)C(N)=O ZINC001490347668 893201758 /nfs/dbraw/zinc/20/17/58/893201758.db2.gz PMQCWBILGVGZMA-AEJSXWLSSA-N 0 3 284.360 -1.190 20 0 CAADHN CCN(CCCNC(=O)C(N)=O)[C@@H]1CCC(=O)NC1=O ZINC001490342518 893202836 /nfs/dbraw/zinc/20/28/36/893202836.db2.gz FNQDLIBTEIPAAH-MRVPVSSYSA-N 0 3 284.316 -1.895 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001490816060 893218890 /nfs/dbraw/zinc/21/88/90/893218890.db2.gz YOQNVSDZTVXVLA-ZETCQYMHSA-N 0 3 258.278 -1.982 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@@H]1CCCCN1C(=O)C(N)=O ZINC001490309281 893203351 /nfs/dbraw/zinc/20/33/51/893203351.db2.gz YMIVGMCAJBYUBE-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(Cn1cnnn1)NCCN1CCN(CC2CC2)CC1 ZINC001490481115 893204169 /nfs/dbraw/zinc/20/41/69/893204169.db2.gz SJYSUQUYIATKNE-UHFFFAOYSA-N 0 3 293.375 -1.183 20 0 CAADHN CCN(CCCNC(=O)CC(N)=O)[C@@H]1CCNC1=O ZINC001490318844 893204372 /nfs/dbraw/zinc/20/43/72/893204372.db2.gz QUAYTYVCITZHDG-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CCOCCCN1CCN(CCNC(=O)C(N)=O)CC1 ZINC001490501454 893210412 /nfs/dbraw/zinc/21/04/12/893210412.db2.gz VIQWEOLBOGMZKK-UHFFFAOYSA-N 0 3 286.376 -1.368 20 0 CAADHN COCC(=O)NC[C@H](NCC(=O)NC(N)=O)C1CC1 ZINC001490622655 893210848 /nfs/dbraw/zinc/21/08/48/893210848.db2.gz BYDHLNKPTHDPDO-QMMMGPOBSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CCn2cnnn2)C1 ZINC001490566076 893212433 /nfs/dbraw/zinc/21/24/33/893212433.db2.gz ABELHEGHYCBHEI-VHSXEESVSA-N 0 3 268.321 -1.366 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001490643156 893213085 /nfs/dbraw/zinc/21/30/85/893213085.db2.gz SPYWZDTYRGSARL-VXGBXAGGSA-N 0 3 296.371 -1.162 20 0 CAADHN NC(=O)NC(=O)CN[C@H](CNC(=O)[C@H]1CCOC1)C1CC1 ZINC001490642473 893213217 /nfs/dbraw/zinc/21/32/17/893213217.db2.gz RGYUSATUKQBTOB-VHSXEESVSA-N 0 3 298.343 -1.298 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001490659618 893213723 /nfs/dbraw/zinc/21/37/23/893213723.db2.gz NBEWRNUQYPOLRO-SFYZADRCSA-N 0 3 270.289 -1.936 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@H](N[C@H](C)C(N)=O)C1CC1 ZINC001490659801 893214147 /nfs/dbraw/zinc/21/41/47/893214147.db2.gz UNJFWNGKMHWJCB-SCZZXKLOSA-N 0 3 299.375 -1.336 20 0 CAADHN C[C@H](N[C@H](CNC(=O)c1cnnn1C)C1CC1)C(N)=O ZINC001490657710 893214173 /nfs/dbraw/zinc/21/41/73/893214173.db2.gz CRXYZYYWJXDWIK-IONNQARKSA-N 0 3 280.332 -1.213 20 0 CAADHN NC(=O)NC(=O)CN[C@@H](CNC(=O)[C@H]1CCOC1)C1CC1 ZINC001490642471 893214323 /nfs/dbraw/zinc/21/43/23/893214323.db2.gz RGYUSATUKQBTOB-UWVGGRQHSA-N 0 3 298.343 -1.298 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](NCC(=O)N1CCC1)C1CC1 ZINC001490630798 893215590 /nfs/dbraw/zinc/21/55/90/893215590.db2.gz RXKWRRCZHNGBLS-LBPRGKRZSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](N[C@H](CNC(=O)c1cnnn1C)C1CC1)C(N)=O ZINC001490657712 893215990 /nfs/dbraw/zinc/21/59/90/893215990.db2.gz CRXYZYYWJXDWIK-VXNVDRBHSA-N 0 3 280.332 -1.213 20 0 CAADHN COC[C@H](O)CN1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001490540706 893216152 /nfs/dbraw/zinc/21/61/52/893216152.db2.gz QMLXKCJXOMEVRE-VHSXEESVSA-N 0 3 284.320 -2.129 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](NCC(=O)NC(N)=O)C1CC1 ZINC001490638459 893216196 /nfs/dbraw/zinc/21/61/96/893216196.db2.gz MCISINZVJRMVLP-VXNVDRBHSA-N 0 3 286.332 -1.299 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001490659615 893216609 /nfs/dbraw/zinc/21/66/09/893216609.db2.gz NBEWRNUQYPOLRO-HTQZYQBOSA-N 0 3 270.289 -1.936 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)CN1CCCCC1=O)C1CC1 ZINC001490680743 893217269 /nfs/dbraw/zinc/21/72/69/893217269.db2.gz FDVMOWDAXNQQLO-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN CCNC(=O)CN[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001490731451 893217918 /nfs/dbraw/zinc/21/79/18/893217918.db2.gz BFXRUWDPBKBEQT-WDEREUQCSA-N 0 3 296.371 -1.115 20 0 CAADHN CN(C)C(=O)CN[C@@H](CNC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001490698579 893218387 /nfs/dbraw/zinc/21/83/87/893218387.db2.gz HYTJGOPPCSTQLV-VHSXEESVSA-N 0 3 297.359 -1.760 20 0 CAADHN C[C@H](N[C@H](CNC(=O)C1(C(N)=O)CC1)C1CC1)C(N)=O ZINC001490700551 893218598 /nfs/dbraw/zinc/21/85/98/893218598.db2.gz LYMBLNGIGFBNQG-IONNQARKSA-N 0 3 282.344 -1.390 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@@H](NCC(N)=O)C2CC2)C1=O ZINC001490700641 893218648 /nfs/dbraw/zinc/21/86/48/893218648.db2.gz PZKMCTKQFWABOL-NXEZZACHSA-N 0 3 282.344 -1.566 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](NCC(=O)N(C)C2CC2)C1 ZINC001490810310 893219527 /nfs/dbraw/zinc/21/95/27/893219527.db2.gz WZIHLVZIWLPWRI-NSHDSACASA-N 0 3 296.371 -1.066 20 0 CAADHN NC(=O)CN[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C1CC1 ZINC001490750025 893219566 /nfs/dbraw/zinc/21/95/66/893219566.db2.gz SRSCAKAHAPJUKR-ZJUUUORDSA-N 0 3 297.359 -1.501 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@H](N[C@@H](CC)C(N)=O)C1 ZINC001490816118 893219886 /nfs/dbraw/zinc/21/98/86/893219886.db2.gz AZUCQMXHBYMLTA-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN NC(=O)C(=O)NC[C@@H](N[C@H]1CCC(=O)NC1=O)C1CC1 ZINC001490699859 893220042 /nfs/dbraw/zinc/22/00/42/893220042.db2.gz HRWKWCWAAJTCOK-JGVFFNPUSA-N 0 3 282.300 -2.239 20 0 CAADHN Cn1nnnc1CN[C@@H](CNC(=O)c1ncn[nH]1)C1CC1 ZINC001490720483 893220414 /nfs/dbraw/zinc/22/04/14/893220414.db2.gz QCVPCCTZBRIXTQ-QMMMGPOBSA-N 0 3 291.319 -1.374 20 0 CAADHN Cn1nnnc1CN[C@@H](CNC(=O)c1nc[nH]n1)C1CC1 ZINC001490720483 893220427 /nfs/dbraw/zinc/22/04/27/893220427.db2.gz QCVPCCTZBRIXTQ-QMMMGPOBSA-N 0 3 291.319 -1.374 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC001490811262 893220624 /nfs/dbraw/zinc/22/06/24/893220624.db2.gz LFOUJTWUGZSUIX-JTQLQIEISA-N 0 3 265.317 -1.030 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@H](NCC(N)=O)C1CC1 ZINC001490693538 893220747 /nfs/dbraw/zinc/22/07/47/893220747.db2.gz KGXFBIRVUFFXKF-APPZFPTMSA-N 0 3 270.333 -1.532 20 0 CAADHN NC(=O)NCCC(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001490736370 893220882 /nfs/dbraw/zinc/22/08/82/893220882.db2.gz UZZXTWLUZQQMQA-ZJUUUORDSA-N 0 3 297.359 -1.582 20 0 CAADHN C[C@H](N[C@@H](CNC(=O)c1cnn(C)n1)C1CC1)C(N)=O ZINC001490722106 893221153 /nfs/dbraw/zinc/22/11/53/893221153.db2.gz IKSXWENUWIZWID-CBAPKCEASA-N 0 3 280.332 -1.213 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001490818661 893221895 /nfs/dbraw/zinc/22/18/95/893221895.db2.gz NUNORHJTKLUAND-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](N[C@H](C)C(=O)NC)C1 ZINC001490818903 893221976 /nfs/dbraw/zinc/22/19/76/893221976.db2.gz XXEDMSYDYJYMJQ-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001490821443 893222064 /nfs/dbraw/zinc/22/20/64/893222064.db2.gz ZBMPUJJJZCFYKN-QMMMGPOBSA-N 0 3 266.305 -1.635 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001490816329 893222219 /nfs/dbraw/zinc/22/22/19/893222219.db2.gz QNNUQDXXIQMBHM-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001490819646 893222364 /nfs/dbraw/zinc/22/23/64/893222364.db2.gz MLVRKDFXNRXOSZ-XHNCKOQMSA-N 0 3 283.332 -1.878 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001490816328 893223726 /nfs/dbraw/zinc/22/37/26/893223726.db2.gz QNNUQDXXIQMBHM-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](N[C@H]1C[C@H](NC(=O)CCS(C)(=O)=O)C1)C(N)=O ZINC001490904516 893224493 /nfs/dbraw/zinc/22/44/93/893224493.db2.gz ZELTUZIBMYOEDR-CIUDSAMLSA-N 0 3 291.373 -1.468 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001490831890 893224592 /nfs/dbraw/zinc/22/45/92/893224592.db2.gz KHFXEPKMZNEPPP-ZETCQYMHSA-N 0 3 252.278 -1.645 20 0 CAADHN O=C(CCc1nnc[n-]1)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001491009231 893231479 /nfs/dbraw/zinc/23/14/79/893231479.db2.gz COPUFBUMHVMXRY-AEJSXWLSSA-N 0 3 292.343 -1.137 20 0 CAADHN CC(=O)NCC(=O)NCCNC(=O)CN(C)C(C)C ZINC001491072297 893234707 /nfs/dbraw/zinc/23/47/07/893234707.db2.gz XWMYVUPMIHGVOK-UHFFFAOYSA-N 0 3 272.349 -1.305 20 0 CAADHN CS(=O)(=O)CCN[C@H]1C[C@@H](NC(=O)c2cnon2)C1 ZINC001491065649 893234881 /nfs/dbraw/zinc/23/48/81/893234881.db2.gz IKEJZJREKGBCDZ-OCAPTIKFSA-N 0 3 288.329 -1.035 20 0 CAADHN CC(=O)NCC(=O)NCCNC(=O)Cc1nc[nH]c1C ZINC001491068407 893235787 /nfs/dbraw/zinc/23/57/87/893235787.db2.gz IGOCYDRQSAKADB-UHFFFAOYSA-N 0 3 281.316 -1.371 20 0 CAADHN NC(=O)CC(=O)NC[C@@H]1CCCN([C@@H]2CCCNC2=O)C1 ZINC001491101458 893240295 /nfs/dbraw/zinc/24/02/95/893240295.db2.gz MQKWVPVNDNCKMP-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CC(=O)NC[C@@H]1CCCN([C@H]2CCCNC2=O)C1 ZINC001491101454 893242976 /nfs/dbraw/zinc/24/29/76/893242976.db2.gz MQKWVPVNDNCKMP-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001491175539 893249340 /nfs/dbraw/zinc/24/93/40/893249340.db2.gz CRQKIGWAYYUKPE-SECBINFHSA-N 0 3 293.327 -1.228 20 0 CAADHN CC(C)[C@H](C(=O)NCCNC(=O)CC(N)=O)N(C)C ZINC001491194081 893252372 /nfs/dbraw/zinc/25/23/72/893252372.db2.gz KRYGNOXQEUSOJC-LLVKDONJSA-N 0 3 272.349 -1.320 20 0 CAADHN CNC(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CCNC1=O ZINC001491258371 893257032 /nfs/dbraw/zinc/25/70/32/893257032.db2.gz AJOFHMBICTXVGO-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCNC(=O)c1ncn(C)n1 ZINC001491269322 893258455 /nfs/dbraw/zinc/25/84/55/893258455.db2.gz XMBOFCDGCFJRJR-UHFFFAOYSA-N 0 3 291.315 -1.065 20 0 CAADHN CCOCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC(N)=O ZINC001491388576 893266438 /nfs/dbraw/zinc/26/64/38/893266438.db2.gz ORIVTBKURIKUQE-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@@H](C)N[C@@H]1CCNC1=O ZINC001491398961 893266833 /nfs/dbraw/zinc/26/68/33/893266833.db2.gz PENGIQDTEVPEOC-PSASIEDQSA-N 0 3 270.333 -1.553 20 0 CAADHN CCN(C)C(=O)CN[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001491389615 893267179 /nfs/dbraw/zinc/26/71/79/893267179.db2.gz LVMNOUJSBQJTHP-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN CC(=O)NCC(=O)NC[C@H](C)N[C@@H](C)C(=O)N(C)C ZINC001491379399 893267248 /nfs/dbraw/zinc/26/72/48/893267248.db2.gz PLIOCQXCRFVNRL-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CN(C)C(C)=O ZINC001491398744 893267316 /nfs/dbraw/zinc/26/73/16/893267316.db2.gz LLFNPWNFRSFNLQ-RKDXNWHRSA-N 0 3 272.349 -1.307 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)CN(C)C(C)=O ZINC001491398743 893267350 /nfs/dbraw/zinc/26/73/50/893267350.db2.gz LLFNPWNFRSFNLQ-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@H](CNC(=O)C1CCOCC1)NCC(=O)NC(N)=O ZINC001491377265 893267490 /nfs/dbraw/zinc/26/74/90/893267490.db2.gz MDLUHDWKGXLLTQ-MRVPVSSYSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H](CNC(=O)C1=COCCO1)NCC(=O)NC(N)=O ZINC001491386029 893268260 /nfs/dbraw/zinc/26/82/60/893268260.db2.gz DVAJSXGBDBFLEJ-SSDOTTSWSA-N 0 3 286.288 -1.836 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001491398964 893268470 /nfs/dbraw/zinc/26/84/70/893268470.db2.gz PENGIQDTEVPEOC-WPRPVWTQSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(C)[C@@H](C(=O)NCCNC(=O)c1nnn(C)n1)N(C)C ZINC001491373298 893268532 /nfs/dbraw/zinc/26/85/32/893268532.db2.gz CPHRTUKISPWBIH-VIFPVBQESA-N 0 3 297.363 -1.358 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](C)CNC(=O)CCOC ZINC001491377103 893268775 /nfs/dbraw/zinc/26/87/75/893268775.db2.gz UBRHPQKVTMAGOP-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@@H](CNC(=O)c1ccc[nH]1)NCC(=O)NC(N)=O ZINC001491391644 893269092 /nfs/dbraw/zinc/26/90/92/893269092.db2.gz ZAIORUGHZJCZRF-ZETCQYMHSA-N 0 3 267.289 -1.083 20 0 CAADHN CNC(=O)[C@H](C)N[C@H](C)CNC(=O)CN(C)C(C)=O ZINC001491398741 893269934 /nfs/dbraw/zinc/26/99/34/893269934.db2.gz LLFNPWNFRSFNLQ-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](C)NCC(=O)NC(C)C ZINC001491404148 893269982 /nfs/dbraw/zinc/26/99/82/893269982.db2.gz QUEWFGWMMNLOCA-SECBINFHSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@H](CNC(=O)c1cncnc1)N[C@@H]1CCC(=O)NC1=O ZINC001491437114 893271182 /nfs/dbraw/zinc/27/11/82/893271182.db2.gz HSCROKWVIKBGKY-PSASIEDQSA-N 0 3 291.311 -1.010 20 0 CAADHN CNC(=O)CCCC(=O)NC[C@@H](C)N[C@@H](C)C(N)=O ZINC001491436491 893271326 /nfs/dbraw/zinc/27/13/26/893271326.db2.gz ABNVGJHMURXOFO-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](C)NCC(=O)N2CCC2)C1 ZINC001491436458 893271391 /nfs/dbraw/zinc/27/13/91/893271391.db2.gz ZGLMPXVDOHDBFT-SNVBAGLBSA-N 0 3 296.371 -1.209 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001491413609 893271615 /nfs/dbraw/zinc/27/16/15/893271615.db2.gz FLVZWRDSTYUTIQ-DTWKUNHWSA-N 0 3 298.343 -1.588 20 0 CAADHN C[C@H](CNC(=O)CCn1ccnn1)N[C@@H]1CCN(C)C1=O ZINC001491433571 893271649 /nfs/dbraw/zinc/27/16/49/893271649.db2.gz ARLGMRWIDPSCKJ-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN Cc1c(C(=O)NC[C@@H](C)N[C@@H](C)C(N)=O)nnn1C ZINC001491420293 893271693 /nfs/dbraw/zinc/27/16/93/893271693.db2.gz HTDYDEXSNVIPPN-RQJHMYQMSA-N 0 3 268.321 -1.295 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](C)NCC(=O)N2CCC2)C1 ZINC001491436457 893272908 /nfs/dbraw/zinc/27/29/08/893272908.db2.gz ZGLMPXVDOHDBFT-JTQLQIEISA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NCCS(C)(=O)=O ZINC001491416276 893272948 /nfs/dbraw/zinc/27/29/48/893272948.db2.gz YAZVTUVOKBWWRL-DTWKUNHWSA-N 0 3 291.373 -1.596 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](C)NCC(=O)NC(N)=O)C1 ZINC001491440395 893273813 /nfs/dbraw/zinc/27/38/13/893273813.db2.gz CRUUTJGCZJKICF-ZETCQYMHSA-N 0 3 299.331 -2.246 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)CO[C@@H]1CCOC1 ZINC001491455463 893275400 /nfs/dbraw/zinc/27/54/00/893275400.db2.gz RGRJUSGXDLXCLI-VHSXEESVSA-N 0 3 273.333 -1.368 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H](C)NCC(N)=O ZINC001491450478 893276035 /nfs/dbraw/zinc/27/60/35/893276035.db2.gz ZOBIRCJYAIDIFE-SSDOTTSWSA-N 0 3 254.294 -1.509 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CO[C@@H]1CCOC1 ZINC001491455461 893276064 /nfs/dbraw/zinc/27/60/64/893276064.db2.gz RGRJUSGXDLXCLI-NXEZZACHSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@H](CNC(=O)c1ncn(C)n1)N[C@H]1CCC(=O)NC1=O ZINC001491448554 893276505 /nfs/dbraw/zinc/27/65/05/893276505.db2.gz QXGGYJWUHKGYBQ-SFYZADRCSA-N 0 3 294.315 -1.672 20 0 CAADHN CCn1nncc1C(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001491446554 893276863 /nfs/dbraw/zinc/27/68/63/893276863.db2.gz FTOHOYUOSLYATB-IUCAKERBSA-N 0 3 280.332 -1.106 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](C)N[C@@H](C)C(N)=O)C1 ZINC001491442567 893277243 /nfs/dbraw/zinc/27/72/43/893277243.db2.gz SUUDQQFCCQZHSZ-YUMQZZPRSA-N 0 3 270.333 -1.567 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CO[C@H]1CCOC1 ZINC001491455464 893277647 /nfs/dbraw/zinc/27/76/47/893277647.db2.gz RGRJUSGXDLXCLI-ZJUUUORDSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)NCC(=O)N(C)C ZINC001491455844 893278212 /nfs/dbraw/zinc/27/82/12/893278212.db2.gz UZWXFJZHIPJOGP-DTWKUNHWSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](CNC(=O)CNC(=O)N1CCCC1)N[C@@H](C)C(N)=O ZINC001491453633 893278251 /nfs/dbraw/zinc/27/82/51/893278251.db2.gz BZSKGTSBBKIKTD-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)c1c[nH]c(=O)cn1)N(C)C ZINC001491475450 893280888 /nfs/dbraw/zinc/28/08/88/893280888.db2.gz IZXIWQFXLXMAFS-SNVBAGLBSA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@@H](CNC(=O)C(C)(C)C(N)=O)NCCS(C)(=O)=O ZINC001491492309 893281153 /nfs/dbraw/zinc/28/11/53/893281153.db2.gz UKHIEUYBIQSJEC-QMMMGPOBSA-N 0 3 293.389 -1.363 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCCNC1=O ZINC001491490792 893281493 /nfs/dbraw/zinc/28/14/93/893281493.db2.gz LIJKXMMSOJHEKY-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)c1c[nH]c(=O)cn1)N(C)C ZINC001491475448 893281662 /nfs/dbraw/zinc/28/16/62/893281662.db2.gz IZXIWQFXLXMAFS-JTQLQIEISA-N 0 3 295.343 -1.044 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)COCc1ccnn1C)C(N)=O ZINC001491497630 893281969 /nfs/dbraw/zinc/28/19/69/893281969.db2.gz TWYYJDKBLNNPNU-VHSXEESVSA-N 0 3 297.359 -1.095 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H](C)NCC(=O)N1CCCC1 ZINC001491474323 893281993 /nfs/dbraw/zinc/28/19/93/893281993.db2.gz TVRZCCMFCAFRRB-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(=O)NC(N)=O ZINC001491475423 893282107 /nfs/dbraw/zinc/28/21/07/893282107.db2.gz YPIYFZXLXPKOTB-HTQZYQBOSA-N 0 3 299.331 -2.246 20 0 CAADHN Cc1ncc(CC(=O)NC[C@H](C)NCC(=O)NC(N)=O)o1 ZINC001491478773 893282124 /nfs/dbraw/zinc/28/21/24/893282124.db2.gz SLCNKRUNQLTRCW-ZETCQYMHSA-N 0 3 297.315 -1.185 20 0 CAADHN CCCN(C)CC(=O)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001491493055 893282312 /nfs/dbraw/zinc/28/23/12/893282312.db2.gz FMCKCYIHCOJPNC-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)C ZINC001491475726 893283099 /nfs/dbraw/zinc/28/30/99/893283099.db2.gz OSPIBDVIVACYPR-VHSXEESVSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)NCC(N)=O ZINC001491477871 893283402 /nfs/dbraw/zinc/28/34/02/893283402.db2.gz NIQYTWRQCVGHAO-MRVPVSSYSA-N 0 3 280.332 -1.265 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1CCCNC1=O ZINC001491490791 893283581 /nfs/dbraw/zinc/28/35/81/893283581.db2.gz LIJKXMMSOJHEKY-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cncn1C ZINC001491515759 893284467 /nfs/dbraw/zinc/28/44/67/893284467.db2.gz BMYMLXOTLNWHAI-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN C[C@H](CNC(=O)CN1CCCNC1=O)NCC(N)=O ZINC001491509735 893284983 /nfs/dbraw/zinc/28/49/83/893284983.db2.gz NWLURASFCAZYMH-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cn2c(n1)COCC2 ZINC001491503200 893285150 /nfs/dbraw/zinc/28/51/50/893285150.db2.gz FLBJIVSKKHVUHX-VIFPVBQESA-N 0 3 295.343 -1.133 20 0 CAADHN Cc1cncn1CC(=O)NC[C@@H](C)NCC(N)=O ZINC001491528662 893286028 /nfs/dbraw/zinc/28/60/28/893286028.db2.gz NIWUYSRRRZYYPU-MRVPVSSYSA-N 0 3 253.306 -1.229 20 0 CAADHN C[C@H](CNC(=O)c1cncn1C)N[C@@H]1CCC(=O)NC1=O ZINC001491518404 893285729 /nfs/dbraw/zinc/28/57/29/893285729.db2.gz VBQVVVSRJOICFU-RKDXNWHRSA-N 0 3 293.327 -1.067 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cncn1C ZINC001491515760 893286284 /nfs/dbraw/zinc/28/62/84/893286284.db2.gz BMYMLXOTLNWHAI-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001491503544 893286341 /nfs/dbraw/zinc/28/63/41/893286341.db2.gz BBMVTEYIJDHEGM-VHSXEESVSA-N 0 3 272.349 -1.713 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cn2c(n1)COCC2 ZINC001491503195 893286425 /nfs/dbraw/zinc/28/64/25/893286425.db2.gz FLBJIVSKKHVUHX-SECBINFHSA-N 0 3 295.343 -1.133 20 0 CAADHN C[C@@H](CNC(=O)CCCCNC(N)=O)N[C@H]1CCNC1=O ZINC001491515856 893286512 /nfs/dbraw/zinc/28/65/12/893286512.db2.gz PSJOIYLHAIAHKK-UWVGGRQHSA-N 0 3 299.375 -1.192 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCNC1=O)NCC(N)=O ZINC001491509738 893286756 /nfs/dbraw/zinc/28/67/56/893286756.db2.gz NWLURASFCAZYMH-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N[C@@H](C)C(N)=O ZINC001491517240 893286910 /nfs/dbraw/zinc/28/69/10/893286910.db2.gz PGNMNTCXJTWKSU-SFYZADRCSA-N 0 3 297.315 -2.083 20 0 CAADHN C[C@@H]1CC[N@H+](CC(=O)NCCNC(=O)Cc2nnc[n-]2)C1 ZINC001491546174 893288172 /nfs/dbraw/zinc/28/81/72/893288172.db2.gz ZJWQAVFTLUQRGZ-SNVBAGLBSA-N 0 3 294.359 -1.079 20 0 CAADHN C[C@@H]1CC[N@@H+](CC(=O)NCCNC(=O)Cc2nnc[n-]2)C1 ZINC001491546174 893288181 /nfs/dbraw/zinc/28/81/81/893288181.db2.gz ZJWQAVFTLUQRGZ-SNVBAGLBSA-N 0 3 294.359 -1.079 20 0 CAADHN CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001491549019 893288327 /nfs/dbraw/zinc/28/83/27/893288327.db2.gz UPLXHBPJBZFQGL-NXEZZACHSA-N 0 3 299.375 -1.417 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001491550113 893288632 /nfs/dbraw/zinc/28/86/32/893288632.db2.gz WCRGPDSIDCCDFV-SECBINFHSA-N 0 3 285.348 -2.742 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)c1nnn(C)n1)C(N)=O ZINC001491552554 893288960 /nfs/dbraw/zinc/28/89/60/893288960.db2.gz BQNZFSAOTUBEBA-BQBZGAKWSA-N 0 3 269.309 -1.818 20 0 CAADHN C[C@H](CNC(=O)[C@@H](C)CC(N)=O)NCC(=O)N(C)C ZINC001491545834 893289373 /nfs/dbraw/zinc/28/93/73/893289373.db2.gz FGKIPZNFMNVITB-DTWKUNHWSA-N 0 3 272.349 -1.320 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CN1CCNC(=O)C1 ZINC001491545636 893289602 /nfs/dbraw/zinc/28/96/02/893289602.db2.gz DGXSHDLKEAJUOG-NXEZZACHSA-N 0 3 299.375 -2.353 20 0 CAADHN C[C@H](CNC(=O)c1cnco1)NCCNS(C)(=O)=O ZINC001491543519 893289886 /nfs/dbraw/zinc/28/98/86/893289886.db2.gz RWQCSFRDLXKDKT-MRVPVSSYSA-N 0 3 290.345 -1.068 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001491555485 893290089 /nfs/dbraw/zinc/29/00/89/893290089.db2.gz SGLJAECNZKQMAX-ZCFIWIBFSA-N 0 3 255.282 -2.336 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001491555483 893290210 /nfs/dbraw/zinc/29/02/10/893290210.db2.gz SGLJAECNZKQMAX-LURJTMIESA-N 0 3 255.282 -2.336 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(=O)NC1CC1 ZINC001491549073 893290827 /nfs/dbraw/zinc/29/08/27/893290827.db2.gz VPZULJRIJHGYBO-WPRPVWTQSA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@H]1CCCN1CC(=O)NCCNC(=O)C(N)=O ZINC001491536417 893290917 /nfs/dbraw/zinc/29/09/17/893290917.db2.gz YREQMFYWIMSCDW-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001491549264 893291048 /nfs/dbraw/zinc/29/10/48/893291048.db2.gz XISAVNGIVZRPEG-SFYZADRCSA-N 0 3 271.321 -2.150 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CN(C)C(=O)N1)NCC(=O)NC1CC1 ZINC001491549071 893291379 /nfs/dbraw/zinc/29/13/79/893291379.db2.gz VPZULJRIJHGYBO-SCZZXKLOSA-N 0 3 297.359 -1.617 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001491550454 893291587 /nfs/dbraw/zinc/29/15/87/893291587.db2.gz XHSXSQPGQVELNY-JGVFFNPUSA-N 0 3 256.306 -2.037 20 0 CAADHN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)NCC(N)=O ZINC001491559866 893292706 /nfs/dbraw/zinc/29/27/06/893292706.db2.gz MVPRCIXFKTZHSM-UWVGGRQHSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)NCCS(C)(=O)=O ZINC001491556828 893292988 /nfs/dbraw/zinc/29/29/88/893292988.db2.gz ZZGRJHCVVCCAQW-ZETCQYMHSA-N 0 3 290.349 -2.037 20 0 CAADHN C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)NCC(N)=O ZINC001491561281 893293053 /nfs/dbraw/zinc/29/30/53/893293053.db2.gz YCUKFODDHPQJMC-PRHODGIISA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1CCN(C)C1=O ZINC001491558916 893293242 /nfs/dbraw/zinc/29/32/42/893293242.db2.gz NMMGLBJDNKIPCV-RKDXNWHRSA-N 0 3 270.333 -1.695 20 0 CAADHN Cc1csc(=O)n1CCN[C@H](C)CNC(=O)C(N)=O ZINC001491569182 893293639 /nfs/dbraw/zinc/29/36/39/893293639.db2.gz CHUBQQFITMDKLR-SSDOTTSWSA-N 0 3 286.357 -1.202 20 0 CAADHN C[C@H](CNC(=O)CCc1cnn(C)n1)N[C@@H](C)C(N)=O ZINC001491580971 893294858 /nfs/dbraw/zinc/29/48/58/893294858.db2.gz YITAXEKZDINARA-BDAKNGLRSA-N 0 3 282.348 -1.284 20 0 CAADHN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)N[C@@H]1CCNC1=O ZINC001491579849 893294898 /nfs/dbraw/zinc/29/48/98/893294898.db2.gz PFUZNLOKZPQEMJ-GMSGAONNSA-N 0 3 293.327 -1.290 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)NCC(=O)N(C)C ZINC001491580492 893294928 /nfs/dbraw/zinc/29/49/28/893294928.db2.gz TXKYIRSYRAMNEZ-YIZRAAEISA-N 0 3 270.333 -1.710 20 0 CAADHN C[C@H](CNC(=O)CC[NH+](C)C)NCc1nc(=O)n(C)[n-]1 ZINC001491567189 893294983 /nfs/dbraw/zinc/29/49/83/893294983.db2.gz DGVPEEQDBCCCHH-SECBINFHSA-N 0 3 284.364 -1.346 20 0 CAADHN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)NCC(N)=O ZINC001491561283 893295035 /nfs/dbraw/zinc/29/50/35/893295035.db2.gz YCUKFODDHPQJMC-QPUJVOFHSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]1)C(N)=O ZINC001491568714 893295418 /nfs/dbraw/zinc/29/54/18/893295418.db2.gz MGCDCLNPBPNDAJ-NKWVEPMBSA-N 0 3 269.305 -1.293 20 0 CAADHN C[C@@H](CNC(=O)C1(C(N)=O)CC1)N[C@@H]1CCCNC1=O ZINC001491569021 893295782 /nfs/dbraw/zinc/29/57/82/893295782.db2.gz VUURTTNKIGSZMD-DTWKUNHWSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CCN(C)C1=O)NCC(=O)N1CCC1 ZINC001491557223 893295937 /nfs/dbraw/zinc/29/59/37/893295937.db2.gz IRMAGSZJPYQKSX-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN Cc1ccn(CC(=O)NC[C@@H](C)NCC(N)=O)c(=O)c1 ZINC001491597343 893297547 /nfs/dbraw/zinc/29/75/47/893297547.db2.gz ZUZKHDPJFZZFTB-SNVBAGLBSA-N 0 3 280.328 -1.264 20 0 CAADHN C[C@@H](CNC(=O)c1cccnn1)N[C@H]1CCC(=O)NC1=O ZINC001491620104 893297807 /nfs/dbraw/zinc/29/78/07/893297807.db2.gz ZUMPFNBBGVADDH-IUCAKERBSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@H](CNC(=O)Cc1c[nH]cn1)N[C@H](C)C(N)=O ZINC001491590119 893298205 /nfs/dbraw/zinc/29/82/05/893298205.db2.gz MGSILTYUSVBJMQ-HTQZYQBOSA-N 0 3 253.306 -1.080 20 0 CAADHN C[C@@H](CNC(=O)c1cccnn1)N[C@@H]1CCC(=O)NC1=O ZINC001491620102 893298395 /nfs/dbraw/zinc/29/83/95/893298395.db2.gz ZUMPFNBBGVADDH-DTWKUNHWSA-N 0 3 291.311 -1.010 20 0 CAADHN CC[C@@H](N[C@H](C)CNC(=O)C1(C(=O)NC)CC1)C(N)=O ZINC001491608167 893298708 /nfs/dbraw/zinc/29/87/08/893298708.db2.gz MCEKMWUDGSPXAW-RKDXNWHRSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](CNC(=O)CCNC(N)=O)NCC(=O)N1CCCC1 ZINC001491664790 893301081 /nfs/dbraw/zinc/30/10/81/893301081.db2.gz NDXUYKFLNYQCNV-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN C[C@@H](CNC(=O)Cc1c[nH]cn1)N[C@@H](C)C(N)=O ZINC001491590126 893300328 /nfs/dbraw/zinc/30/03/28/893300328.db2.gz MGSILTYUSVBJMQ-YUMQZZPRSA-N 0 3 253.306 -1.080 20 0 CAADHN CCCNC(=O)CN[C@H](C)CNC(=O)Cn1cncn1 ZINC001491664151 893300704 /nfs/dbraw/zinc/30/07/04/893300704.db2.gz JGZSTLVPQHLFSS-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001491667577 893301445 /nfs/dbraw/zinc/30/14/45/893301445.db2.gz PLTYZQKJCHDKTM-RKDXNWHRSA-N 0 3 298.343 -1.636 20 0 CAADHN Cc1nc(CN[C@@H](C)CNC(=O)CCNC(N)=O)n[nH]1 ZINC001491666409 893301939 /nfs/dbraw/zinc/30/19/39/893301939.db2.gz YDKRDFWCHALXNG-ZETCQYMHSA-N 0 3 283.336 -1.234 20 0 CAADHN CCCNC(=O)CN[C@@H](C)CNC(=O)Cn1cncn1 ZINC001491664149 893302257 /nfs/dbraw/zinc/30/22/57/893302257.db2.gz JGZSTLVPQHLFSS-JTQLQIEISA-N 0 3 282.348 -1.101 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)Cn1nc(C)n(C)c1=O ZINC001491655912 893302762 /nfs/dbraw/zinc/30/27/62/893302762.db2.gz BYJAUBMAYWVNQI-QMMMGPOBSA-N 0 3 298.347 -2.269 20 0 CAADHN C[C@H](CNC(=O)Cn1ccccc1=O)NCC(N)=O ZINC001491666628 893304438 /nfs/dbraw/zinc/30/44/38/893304438.db2.gz DBTGDSMCGOQPFW-SECBINFHSA-N 0 3 266.301 -1.572 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CN1C(=O)CCC1=O ZINC001491667575 893304788 /nfs/dbraw/zinc/30/47/88/893304788.db2.gz PLTYZQKJCHDKTM-DTWKUNHWSA-N 0 3 298.343 -1.636 20 0 CAADHN CCS(=O)(=O)CC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC ZINC001491683282 893305767 /nfs/dbraw/zinc/30/57/67/893305767.db2.gz RJLPXLOWUJOELT-IUCAKERBSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@@H](CNC(=O)c1noc2c1COCC2)NCC(N)=O ZINC001491681903 893307625 /nfs/dbraw/zinc/30/76/25/893307625.db2.gz CVVACNAEQYVMAX-ZETCQYMHSA-N 0 3 282.300 -1.060 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)c1[nH]cnc1C ZINC001491696095 893308765 /nfs/dbraw/zinc/30/87/65/893308765.db2.gz CLTHPTGFSORFAP-ZETCQYMHSA-N 0 3 296.331 -1.118 20 0 CAADHN CN(C(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1)C1CC1 ZINC001491718598 893309125 /nfs/dbraw/zinc/30/91/25/893309125.db2.gz OGIFUQVGSOBIMF-VIFPVBQESA-N 0 3 282.344 -1.327 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001491673837 893309641 /nfs/dbraw/zinc/30/96/41/893309641.db2.gz PKMYMWBTQQLELP-ZETCQYMHSA-N 0 3 297.315 -2.060 20 0 CAADHN CNC(=O)CCCCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001491775660 893312023 /nfs/dbraw/zinc/31/20/23/893312023.db2.gz LKEXACVQJZTWNR-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN NC(=O)CCCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001491775030 893313298 /nfs/dbraw/zinc/31/32/98/893313298.db2.gz CUHFCWHJRYBLIR-QMMMGPOBSA-N 0 3 256.306 -1.682 20 0 CAADHN COc1ccc(CN[C@H](C)CCNC(=O)C(N)=O)nn1 ZINC001492077333 893323663 /nfs/dbraw/zinc/32/36/63/893323663.db2.gz BHCSJEKTULYULZ-MRVPVSSYSA-N 0 3 281.316 -1.045 20 0 CAADHN Cc1c(C(=O)NCCN(C)CCOCCO)nnn1C ZINC001492219687 893331814 /nfs/dbraw/zinc/33/18/14/893331814.db2.gz ZIMBIHBEUNMRDR-UHFFFAOYSA-N 0 3 285.348 -1.206 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001492859192 893360430 /nfs/dbraw/zinc/36/04/30/893360430.db2.gz CSUQUJSPMKRRJK-DTWKUNHWSA-N 0 3 279.362 -1.893 20 0 CAADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCN(C)CCO ZINC001492466727 893354297 /nfs/dbraw/zinc/35/42/97/893354297.db2.gz NYNJPKPPEQKZOH-UHFFFAOYSA-N 0 3 284.316 -1.221 20 0 CAADHN CN(CCO)CCNC(=O)c1cn(C)c(=O)n1C ZINC001492883621 893360243 /nfs/dbraw/zinc/36/02/43/893360243.db2.gz FOASNXLCVFJHKP-UHFFFAOYSA-N 0 3 256.306 -1.622 20 0 CAADHN CO[C@@H](C)CN(C)CCNC(=O)c1cn(CC(N)=O)nn1 ZINC001492878751 893363285 /nfs/dbraw/zinc/36/32/85/893363285.db2.gz MNHNKKCFLLYAGN-VIFPVBQESA-N 0 3 298.347 -1.540 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H]1CCCN1CCO ZINC001493075975 893373229 /nfs/dbraw/zinc/37/32/29/893373229.db2.gz UQXNVLHLZOKHFJ-VIFPVBQESA-N 0 3 254.294 -1.754 20 0 CAADHN CNS(=O)(=O)CCC(=O)NC[C@@H]1CCCN1CCO ZINC001493105436 893373780 /nfs/dbraw/zinc/37/37/80/893373780.db2.gz NBEYFGSLTCZQGS-JTQLQIEISA-N 0 3 293.389 -1.501 20 0 CAADHN CCN1CC[C@H](N2CC[C@@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001493188095 893380512 /nfs/dbraw/zinc/38/05/12/893380512.db2.gz CEQKWNBLYCGDAV-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CN1CC[C@H](N2CC[C@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001493188188 893380680 /nfs/dbraw/zinc/38/06/80/893380680.db2.gz CYABUWAVTNGARJ-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN CCN1CC[C@H](N2CC[C@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001493188094 893381472 /nfs/dbraw/zinc/38/14/72/893381472.db2.gz CEQKWNBLYCGDAV-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CC(C)NC(=O)NCCN1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001493228270 893381602 /nfs/dbraw/zinc/38/16/02/893381602.db2.gz BCCIAGSGOXPENT-JTQLQIEISA-N 0 3 299.375 -1.383 20 0 CAADHN CCN1CC[C@@H](N2CC[C@@H](CNC(=O)CC(N)=O)C2)C1=O ZINC001493188096 893382071 /nfs/dbraw/zinc/38/20/71/893382071.db2.gz CEQKWNBLYCGDAV-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001493247070 893388550 /nfs/dbraw/zinc/38/85/50/893388550.db2.gz FHTHMLCZKWIPNV-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NCCN(CCCO)C1CC1 ZINC001493447333 893393288 /nfs/dbraw/zinc/39/32/88/893393288.db2.gz JIMWAJILPLQFDX-UHFFFAOYSA-N 0 3 298.343 -1.499 20 0 CAADHN COC[C@@H](O)CN(CCNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001493399552 893394569 /nfs/dbraw/zinc/39/45/69/893394569.db2.gz FJHGMZSHZGOLSN-NWDGAFQWSA-N 0 3 299.371 -1.290 20 0 CAADHN O=C(NCCN(CCCO)C1CC1)[C@@H]1CNC(=O)N1 ZINC001493408034 893396510 /nfs/dbraw/zinc/39/65/10/893396510.db2.gz UDVDCAUYKUQWAE-JTQLQIEISA-N 0 3 270.333 -1.369 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C1=COCCO1 ZINC001493468547 893399171 /nfs/dbraw/zinc/39/91/71/893399171.db2.gz QOZUMRBXOILAAI-SECBINFHSA-N 0 3 297.311 -1.272 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCC(=O)N1)C(N)=O ZINC001493497102 893399659 /nfs/dbraw/zinc/39/96/59/893399659.db2.gz FKEPOBMEGRLWSB-JGVFFNPUSA-N 0 3 256.306 -1.813 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1COCCO1)C(N)=O ZINC001493483139 893399771 /nfs/dbraw/zinc/39/97/71/893399771.db2.gz GMTOXPCZIPKYOY-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN COCCOCC(=O)N(C)CCN[C@@H]1CCCNC1=O ZINC001493500392 893399810 /nfs/dbraw/zinc/39/98/10/893399810.db2.gz NITJIAGBZWGSTP-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CCOCCC(=O)N(C)CCNCC(=O)NC(N)=O ZINC001493496330 893400044 /nfs/dbraw/zinc/40/00/44/893400044.db2.gz UXORBXOJVNFEFK-UHFFFAOYSA-N 0 3 274.321 -1.344 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N(C)CCN[C@H]1CCN(C)C1=O ZINC001493472003 893400169 /nfs/dbraw/zinc/40/01/69/893400169.db2.gz DKLISJJKXLLJAY-KOLCDFICSA-N 0 3 284.360 -1.210 20 0 CAADHN CCC(=O)NCC(=O)N(C)CCNCC(=O)NC1CC1 ZINC001493498285 893400514 /nfs/dbraw/zinc/40/05/14/893400514.db2.gz AQRVHEXHJZRSHM-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CCCNC(=O)[C@H](C)NCCN(C)C(=O)Cn1cnnn1 ZINC001493473747 893400958 /nfs/dbraw/zinc/40/09/58/893400958.db2.gz VQOCQPGOSADCBP-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN COC(=O)[C@H]1C[C@H]1C(=O)N(C)CCNCC(N)=O ZINC001493495381 893401677 /nfs/dbraw/zinc/40/16/77/893401677.db2.gz NERRLNQZMYGOQI-SFYZADRCSA-N 0 3 257.290 -1.671 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H]1CCCO1)C(=O)NC(N)=O ZINC001493472333 893401796 /nfs/dbraw/zinc/40/17/96/893401796.db2.gz KYVSHQYDKWQKOJ-DTWKUNHWSA-N 0 3 286.332 -1.203 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1COCCO1)C(N)=O ZINC001493483143 893401854 /nfs/dbraw/zinc/40/18/54/893401854.db2.gz GMTOXPCZIPKYOY-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)CS(C)(=O)=O ZINC001493486368 893401983 /nfs/dbraw/zinc/40/19/83/893401983.db2.gz CWHAPIYRTDCRLA-SECBINFHSA-N 0 3 291.373 -1.690 20 0 CAADHN CCOCC(=O)N(C)CCN[C@H](C)C(=O)NC(=O)NC ZINC001493465871 893402224 /nfs/dbraw/zinc/40/22/24/893402224.db2.gz CODWSWRCPIBIOV-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(C)CCN[C@H](C)C(N)=O ZINC001493554268 893403517 /nfs/dbraw/zinc/40/35/17/893403517.db2.gz HWDICHLLPYSKAS-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN CCN1C[C@H](C(=O)N(C)CCNCC(=O)NC)CC1=O ZINC001493568615 893403528 /nfs/dbraw/zinc/40/35/28/893403528.db2.gz HLNXALPLMPFCGX-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCNCC(=O)N1CCC1 ZINC001493571093 893403552 /nfs/dbraw/zinc/40/35/52/893403552.db2.gz FVRFRRJNWMTDOF-UHFFFAOYSA-N 0 3 285.348 -1.804 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCNC(=O)C1 ZINC001493516444 893403800 /nfs/dbraw/zinc/40/38/00/893403800.db2.gz MVZGJDNLZMXWJS-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CO[C@H]1CCOC1 ZINC001493543699 893403822 /nfs/dbraw/zinc/40/38/22/893403822.db2.gz CFQODJRTAPXXBH-VIFPVBQESA-N 0 3 259.306 -1.675 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1)C(N)=O ZINC001493569947 893403901 /nfs/dbraw/zinc/40/39/01/893403901.db2.gz LGXLMOZLJMWPPN-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1)C(=O)N(C)C ZINC001493569911 893404112 /nfs/dbraw/zinc/40/41/12/893404112.db2.gz LEBLLVUYIIQVRL-WDEREUQCSA-N 0 3 298.387 -1.011 20 0 CAADHN CO[C@H]1COCC[C@H]1CC(=O)N(C)CCNCC(N)=O ZINC001493576392 893404262 /nfs/dbraw/zinc/40/42/62/893404262.db2.gz BLKJMWJGSQUQDD-QWRGUYRKSA-N 0 3 287.360 -1.039 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1)C(N)=O ZINC001493569944 893404376 /nfs/dbraw/zinc/40/43/76/893404376.db2.gz LGXLMOZLJMWPPN-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CC(=O)N(C)C1)C(=O)N(C)C ZINC001493569568 893404598 /nfs/dbraw/zinc/40/45/98/893404598.db2.gz LEBLLVUYIIQVRL-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)[C@H]1COC(=O)N1)C(N)=O ZINC001493533741 893404909 /nfs/dbraw/zinc/40/49/09/893404909.db2.gz KAKURNFIKDLHIA-HTQZYQBOSA-N 0 3 272.305 -1.593 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)[C@]12C[C@H]1COC2 ZINC001493558685 893404949 /nfs/dbraw/zinc/40/49/49/893404949.db2.gz RZOQLCBXDQNDRE-KWBADKCTSA-N 0 3 267.329 -1.041 20 0 CAADHN CN(CCN[C@H]1CCCNC1=O)C(=O)CN1CCOCC1 ZINC001493526270 893405190 /nfs/dbraw/zinc/40/51/90/893405190.db2.gz XCFCNABRWUOULA-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CCN(C)C(=O)CNCCN(C)C(=O)C1CN(C(C)=O)C1 ZINC001493526153 893405496 /nfs/dbraw/zinc/40/54/96/893405496.db2.gz GLBOVDLNIUHAMH-UHFFFAOYSA-N 0 3 298.387 -1.009 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1COC(=O)N1)C(N)=O ZINC001493533749 893405592 /nfs/dbraw/zinc/40/55/92/893405592.db2.gz KAKURNFIKDLHIA-JGVFFNPUSA-N 0 3 272.305 -1.593 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001493554272 893405769 /nfs/dbraw/zinc/40/57/69/893405769.db2.gz HWDICHLLPYSKAS-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)Cc1nnc(C)[nH]1 ZINC001493544998 893405803 /nfs/dbraw/zinc/40/58/03/893405803.db2.gz KADTXUVRVAEPDS-MRVPVSSYSA-N 0 3 282.348 -1.162 20 0 CAADHN C[C@H](NCCN(C)C(=O)Cn1ncnn1)C(N)=O ZINC001493549074 893405848 /nfs/dbraw/zinc/40/58/48/893405848.db2.gz CQJDCTLGBUWBSL-ZETCQYMHSA-N 0 3 255.282 -2.405 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCNCC(=O)N1CCCC1 ZINC001493572267 893405900 /nfs/dbraw/zinc/40/59/00/893405900.db2.gz VVZHWZOOOIYKEP-UHFFFAOYSA-N 0 3 299.375 -1.414 20 0 CAADHN CN(CCNCC(=O)N1CCCC1)C(=O)Cn1ncnn1 ZINC001493549348 893405914 /nfs/dbraw/zinc/40/59/14/893405914.db2.gz HBDWXYLYPQUBOZ-UHFFFAOYSA-N 0 3 295.347 -1.657 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cccc2ncnn21 ZINC001493617792 893407779 /nfs/dbraw/zinc/40/77/79/893407779.db2.gz DBOJFWHSRQBLHV-UHFFFAOYSA-N 0 3 276.300 -1.124 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@H]1CCCC(=O)N1)C(N)=O ZINC001493589856 893407963 /nfs/dbraw/zinc/40/79/63/893407963.db2.gz UORVUQUYMKUTQG-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O)C(N)=O ZINC001493577817 893408269 /nfs/dbraw/zinc/40/82/69/893408269.db2.gz JOUWBZNDBKKLHD-RQJHMYQMSA-N 0 3 285.304 -2.494 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)c1cncn1C ZINC001493614585 893408302 /nfs/dbraw/zinc/40/83/02/893408302.db2.gz DUEQPZGUJMUCOB-SECBINFHSA-N 0 3 293.327 -1.113 20 0 CAADHN COc1nn(C)cc1C(=O)N(C)CCNCC(N)=O ZINC001493654142 893408430 /nfs/dbraw/zinc/40/84/30/893408430.db2.gz PUWHWTFFFMFSMG-UHFFFAOYSA-N 0 3 269.305 -1.424 20 0 CAADHN CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C(C)(C)C(N)=O ZINC001493586021 893408610 /nfs/dbraw/zinc/40/86/10/893408610.db2.gz BPCLUUXOVCXAJG-MRVPVSSYSA-N 0 3 298.343 -1.649 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@@H]1NC(=O)NC1=O)C(N)=O ZINC001493577810 893408770 /nfs/dbraw/zinc/40/87/70/893408770.db2.gz JOUWBZNDBKKLHD-BQBZGAKWSA-N 0 3 285.304 -2.494 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)C(C)(C)C(N)=O ZINC001493586087 893408865 /nfs/dbraw/zinc/40/88/65/893408865.db2.gz DXTIZJZSGXYMGX-UHFFFAOYSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)c1cncn1C ZINC001493614586 893408886 /nfs/dbraw/zinc/40/88/86/893408886.db2.gz DUEQPZGUJMUCOB-VIFPVBQESA-N 0 3 293.327 -1.113 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1ccc(C(N)=O)o1 ZINC001493619727 893408909 /nfs/dbraw/zinc/40/89/09/893408909.db2.gz BVJCFOINRAFOHU-MRVPVSSYSA-N 0 3 294.311 -1.071 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](NC(=O)C(N)=O)C1CC1 ZINC001493590701 893409157 /nfs/dbraw/zinc/40/91/57/893409157.db2.gz OLNDLAVSMOCNKD-JTQLQIEISA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H]1CCCNC1=O ZINC001493586306 893409143 /nfs/dbraw/zinc/40/91/43/893409143.db2.gz NEKLQJXSCGDWGJ-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001493655115 893409196 /nfs/dbraw/zinc/40/91/96/893409196.db2.gz UJRIPSMJKWQFNY-IUCAKERBSA-N 0 3 298.343 -1.649 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001493586198 893409200 /nfs/dbraw/zinc/40/92/00/893409200.db2.gz ISQLNAVFAWPTDB-MRVPVSSYSA-N 0 3 272.349 -1.190 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001493655837 893410572 /nfs/dbraw/zinc/41/05/72/893410572.db2.gz CORQKFTZUBFHOB-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@H](C(=O)N[C@@H](CNC(=O)C(N)=O)C1CC1)N(C)C ZINC001493678105 893410832 /nfs/dbraw/zinc/41/08/32/893410832.db2.gz UVSTUFFKWIEJBA-VHSXEESVSA-N 0 3 284.360 -1.177 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)[C@H]1CCN(C)C1=O ZINC001493662283 893411001 /nfs/dbraw/zinc/41/10/01/893411001.db2.gz CTGRNTGIDXJTII-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CNC(=O)N1 ZINC001493673350 893411054 /nfs/dbraw/zinc/41/10/54/893411054.db2.gz JBNGCGUHIACAQQ-HTQZYQBOSA-N 0 3 269.305 -2.396 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001493678392 893411085 /nfs/dbraw/zinc/41/10/85/893411085.db2.gz KKZWGCOBSOEJPH-MRVPVSSYSA-N 0 3 270.333 -1.436 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1C)C(N)=O ZINC001493657194 893411118 /nfs/dbraw/zinc/41/11/18/893411118.db2.gz OLYGFEXGZSLIIO-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCN[C@@H](C)C(N)=O ZINC001493706913 893415172 /nfs/dbraw/zinc/41/51/72/893415172.db2.gz QBBODHSSZCYQEM-JGVFFNPUSA-N 0 3 294.377 -2.154 20 0 CAADHN C[C@H](NCCN(C)C(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001493680309 893411170 /nfs/dbraw/zinc/41/11/70/893411170.db2.gz ZHHNLSXOBNSJFM-VIFPVBQESA-N 0 3 284.360 -1.223 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCC(=O)N1C ZINC001493667098 893411380 /nfs/dbraw/zinc/41/13/80/893411380.db2.gz MBMUFIVMFTUDNZ-MRVPVSSYSA-N 0 3 256.306 -1.860 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001493677502 893412050 /nfs/dbraw/zinc/41/20/50/893412050.db2.gz SJHVXZXMQYKNGE-MRVPVSSYSA-N 0 3 281.316 -1.434 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)c1c[nH]c(=O)cn1 ZINC001493675372 893411612 /nfs/dbraw/zinc/41/16/12/893411612.db2.gz IPATVQZQKMDUHM-UHFFFAOYSA-N 0 3 293.327 -1.290 20 0 CAADHN Cc1nocc1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001493682683 893411797 /nfs/dbraw/zinc/41/17/97/893411797.db2.gz ONPPEKICDSOSFC-UHFFFAOYSA-N 0 3 283.288 -1.160 20 0 CAADHN C[C@@H](NCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)C(N)=O ZINC001493708465 893413720 /nfs/dbraw/zinc/41/37/20/893413720.db2.gz AESUYRCEJIIKGR-RQJHMYQMSA-N 0 3 285.304 -2.494 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@@]1(C)CCNC1=O ZINC001493694318 893413659 /nfs/dbraw/zinc/41/36/59/893413659.db2.gz DCACETVVOKJMQK-ZDUSSCGKSA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001493733693 893413747 /nfs/dbraw/zinc/41/37/47/893413747.db2.gz YBESKQGILUSDPO-SSDOTTSWSA-N 0 3 254.294 -1.650 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@H](C)NS(C)(=O)=O)C(N)=O ZINC001493706915 893414269 /nfs/dbraw/zinc/41/42/69/893414269.db2.gz QBBODHSSZCYQEM-YUMQZZPRSA-N 0 3 294.377 -2.154 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)Cc1cscn1 ZINC001493722441 893414423 /nfs/dbraw/zinc/41/44/23/893414423.db2.gz KYSRNYCUQLPDBV-UHFFFAOYSA-N 0 3 299.356 -1.072 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001493769701 893414478 /nfs/dbraw/zinc/41/44/78/893414478.db2.gz JGQAJSBZYGYCKS-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCn1nc(C(=O)N(C)CCNCC(N)=O)ccc1=O ZINC001493735985 893414752 /nfs/dbraw/zinc/41/47/52/893414752.db2.gz YOOURBRYLDPSDJ-UHFFFAOYSA-N 0 3 281.316 -1.590 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)c1ccc(=O)n(C)n1 ZINC001493784637 893414830 /nfs/dbraw/zinc/41/48/30/893414830.db2.gz VAGSMGRBXHIWCP-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)C(N)=O ZINC001493708464 893414860 /nfs/dbraw/zinc/41/48/60/893414860.db2.gz AESUYRCEJIIKGR-BQBZGAKWSA-N 0 3 285.304 -2.494 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCNCC(=O)N2CCC2)CC1 ZINC001493732595 893414955 /nfs/dbraw/zinc/41/49/55/893414955.db2.gz ODAUQHKEOJQXMZ-UHFFFAOYSA-N 0 3 296.371 -1.207 20 0 CAADHN CN(C)C(=O)CCCC(=O)N(C)CCNCC(N)=O ZINC001493768260 893415010 /nfs/dbraw/zinc/41/50/10/893415010.db2.gz ZLYPVMLVPUOZCC-UHFFFAOYSA-N 0 3 272.349 -1.222 20 0 CAADHN C[C@H](NCCN(C)C(=O)c1cnn(C)n1)C(N)=O ZINC001493733694 893415076 /nfs/dbraw/zinc/41/50/76/893415076.db2.gz YBESKQGILUSDPO-ZETCQYMHSA-N 0 3 254.294 -1.650 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cc1nonc1C ZINC001493746939 893415213 /nfs/dbraw/zinc/41/52/13/893415213.db2.gz WMYXGAQKDZZDBE-UHFFFAOYSA-N 0 3 269.305 -1.285 20 0 CAADHN C[C@@H]([NH2+]CCN(C)C(=O)c1nc[n-]n1)C(=O)N(C)C ZINC001493735928 893415282 /nfs/dbraw/zinc/41/52/82/893415282.db2.gz XJJYNSOVADTJRI-MRVPVSSYSA-N 0 3 268.321 -1.057 20 0 CAADHN C[C@@H](NCCN(C)C(=O)c1nc[nH]n1)C(=O)N(C)C ZINC001493735928 893415289 /nfs/dbraw/zinc/41/52/89/893415289.db2.gz XJJYNSOVADTJRI-MRVPVSSYSA-N 0 3 268.321 -1.057 20 0 CAADHN C[C@H](NCCN(C)C(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001493769556 893415506 /nfs/dbraw/zinc/41/55/06/893415506.db2.gz FKEPOBMEGRLWSB-YUMQZZPRSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCN[C@H](C)C(N)=O)CC1 ZINC001493732962 893415675 /nfs/dbraw/zinc/41/56/75/893415675.db2.gz RHBXMCDFXDWPAZ-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN CN(CCN[C@@H]1CCN(C)C1=O)C(=O)Cn1cncn1 ZINC001493787210 893415759 /nfs/dbraw/zinc/41/57/59/893415759.db2.gz LHULRIWCJHFUAP-SNVBAGLBSA-N 0 3 280.332 -1.443 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cc(C(N)=O)cs1 ZINC001493811832 893416942 /nfs/dbraw/zinc/41/69/42/893416942.db2.gz NNNMBNOJAQWDKO-UHFFFAOYSA-N 0 3 284.341 -1.006 20 0 CAADHN Cc1nnc2n1C[C@H](C(=O)N(C)CCNCC(N)=O)CC2 ZINC001493803481 893417996 /nfs/dbraw/zinc/41/79/96/893417996.db2.gz PBFQLFYFPAQUFV-SNVBAGLBSA-N 0 3 294.359 -1.318 20 0 CAADHN CN(CCNCC(=O)N1CCC1)C(=O)CCCC(N)=O ZINC001493809248 893418098 /nfs/dbraw/zinc/41/80/98/893418098.db2.gz GGNXLBZADAJHON-UHFFFAOYSA-N 0 3 284.360 -1.078 20 0 CAADHN CN(CCNCc1nc(=O)n(C)[nH]1)C(=O)Cn1ccnc1 ZINC001493810479 893418365 /nfs/dbraw/zinc/41/83/65/893418365.db2.gz PDDYNXMDKMIHMH-UHFFFAOYSA-N 0 3 293.331 -1.447 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H](CC(C)C)C(N)=O ZINC001493817743 893418386 /nfs/dbraw/zinc/41/83/86/893418386.db2.gz XYIHBZALLWTUQZ-JTQLQIEISA-N 0 3 286.376 -1.072 20 0 CAADHN CC(C)N(CCCNC(=O)Cn1cnnn1)CC(N)=O ZINC001493852415 893418609 /nfs/dbraw/zinc/41/86/09/893418609.db2.gz WMESCEHDKBNMHV-UHFFFAOYSA-N 0 3 283.336 -1.625 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCNCC(N)=O ZINC001493802677 893418825 /nfs/dbraw/zinc/41/88/25/893418825.db2.gz KARZTAZSTDFZBH-UHFFFAOYSA-N 0 3 266.323 -2.931 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2CCNC2=O)C1 ZINC001494049055 893420752 /nfs/dbraw/zinc/42/07/52/893420752.db2.gz MJTRSUCTMXLAHC-WDEREUQCSA-N 0 3 296.371 -1.303 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)Cn2cncn2)C1 ZINC001494079679 893421581 /nfs/dbraw/zinc/42/15/81/893421581.db2.gz OJIBGDGDPGXBIZ-GHMZBOCLSA-N 0 3 294.359 -1.020 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)Cn2ncnn2)C1 ZINC001494022427 893421992 /nfs/dbraw/zinc/42/19/92/893421992.db2.gz WDMRXYYJUSJECW-UWVGGRQHSA-N 0 3 295.347 -1.625 20 0 CAADHN C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)Cn2cncn2)C1 ZINC001494079684 893422027 /nfs/dbraw/zinc/42/20/27/893422027.db2.gz OJIBGDGDPGXBIZ-QWRGUYRKSA-N 0 3 294.359 -1.020 20 0 CAADHN CC(=O)NCC(=O)NCC[C@@H]1CCN([C@@H](C)C(N)=O)C1 ZINC001493983619 893422107 /nfs/dbraw/zinc/42/21/07/893422107.db2.gz KWIHFVDMBSXBJD-GXSJLCMTSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CCNC2=O)C1 ZINC001494049047 893422172 /nfs/dbraw/zinc/42/21/72/893422172.db2.gz MJTRSUCTMXLAHC-GHMZBOCLSA-N 0 3 296.371 -1.303 20 0 CAADHN CC(=O)NCC(=O)NCC[C@H]1CCN([C@H](C)C(N)=O)C1 ZINC001493983620 893422628 /nfs/dbraw/zinc/42/26/28/893422628.db2.gz KWIHFVDMBSXBJD-KOLCDFICSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN1CC[C@H](CCNC(=O)CC(N)=O)C1 ZINC001494000060 893422848 /nfs/dbraw/zinc/42/28/48/893422848.db2.gz RJIFVIFFIZWFDR-VIFPVBQESA-N 0 3 270.333 -1.564 20 0 CAADHN CC[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC001494079488 893423382 /nfs/dbraw/zinc/42/33/82/893423382.db2.gz CRHBTJWWOKJRDH-IWSPIJDZSA-N 0 3 270.333 -1.425 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CCNC2=O)C1 ZINC001494281620 893425885 /nfs/dbraw/zinc/42/58/85/893425885.db2.gz LLAXXXIACMEIOF-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2nnc[n-]2)C1 ZINC001494169573 893426072 /nfs/dbraw/zinc/42/60/72/893426072.db2.gz LCHZWXOAANHLRW-SNVBAGLBSA-N 0 3 294.359 -1.127 20 0 CAADHN CNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2nnc[n-]2)C1 ZINC001494169573 893426080 /nfs/dbraw/zinc/42/60/80/893426080.db2.gz LCHZWXOAANHLRW-SNVBAGLBSA-N 0 3 294.359 -1.127 20 0 CAADHN C[C@H](C(N)=O)N(C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001494207638 893427156 /nfs/dbraw/zinc/42/71/56/893427156.db2.gz YXGJIVOVVPWFPM-MRVPVSSYSA-N 0 3 270.333 -1.484 20 0 CAADHN C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)C(N)=O)CC1 ZINC001494207642 893426735 /nfs/dbraw/zinc/42/67/35/893426735.db2.gz YXGJIVOVVPWFPM-QMMMGPOBSA-N 0 3 270.333 -1.484 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(Cc2nnn(C)n2)C1 ZINC001494507912 893441201 /nfs/dbraw/zinc/44/12/01/893441201.db2.gz TWYMMNVCOSXHPV-UHFFFAOYSA-N 0 3 281.364 -1.149 20 0 CAADHN CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)C(N)=O)C[C@H]21)N(C)C ZINC001494498354 893442323 /nfs/dbraw/zinc/44/23/23/893442323.db2.gz BMJGDQJROZVSDR-VPOLOUISSA-N 0 3 296.371 -1.369 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001494566941 893445296 /nfs/dbraw/zinc/44/52/96/893445296.db2.gz HJOCZZQBWWRGDG-LLVKDONJSA-N 0 3 298.387 -1.811 20 0 CAADHN CO[C@H](C)CN1CC(CNC(=O)Cn2ncnn2)C1 ZINC001494552185 893446555 /nfs/dbraw/zinc/44/65/55/893446555.db2.gz UGNFRQWLRPLZIO-SECBINFHSA-N 0 3 268.321 -1.244 20 0 CAADHN COC[C@H](O)CN1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001494586714 893449192 /nfs/dbraw/zinc/44/91/92/893449192.db2.gz FFCWVWYYCJHCOI-SNVBAGLBSA-N 0 3 285.344 -1.693 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)C2(C(N)=O)CC2)C1 ZINC001494586713 893450785 /nfs/dbraw/zinc/45/07/85/893450785.db2.gz FFCWVWYYCJHCOI-JTQLQIEISA-N 0 3 285.344 -1.693 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001494624346 893451004 /nfs/dbraw/zinc/45/10/04/893451004.db2.gz FVUIGKHQMJIGCU-VIFPVBQESA-N 0 3 298.343 -1.691 20 0 CAADHN CC[C@@H](C(=O)NCC1CN(CC(N)=O)C1)N(C)C ZINC001494614068 893451631 /nfs/dbraw/zinc/45/16/31/893451631.db2.gz CFYIXZAWQNEXCB-JTQLQIEISA-N 0 3 256.350 -1.140 20 0 CAADHN CCN(CC)CC(=O)N[C@H](C)CNC(=O)Cn1ncnn1 ZINC001494736243 893459182 /nfs/dbraw/zinc/45/91/82/893459182.db2.gz JECJAEUIRMWTQX-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(CCO)C1 ZINC001494810552 893461044 /nfs/dbraw/zinc/46/10/44/893461044.db2.gz USJCDNBATHHGGK-NSHDSACASA-N 0 3 257.334 -1.010 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@]2(C)CCNC2=O)C1 ZINC001494775853 893461901 /nfs/dbraw/zinc/46/19/01/893461901.db2.gz YNVZVZNVCUFCMP-UHIISALHSA-N 0 3 299.371 -1.290 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001494775852 893462172 /nfs/dbraw/zinc/46/21/72/893462172.db2.gz YNVZVZNVCUFCMP-SUNKGSAMSA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)NCCC(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001494820814 893462740 /nfs/dbraw/zinc/46/27/40/893462740.db2.gz WQRBJHICNXDGBD-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN CC[C@H](CNC(=O)CN1CCOCC1)NCC(=O)NC ZINC001494966911 893465387 /nfs/dbraw/zinc/46/53/87/893465387.db2.gz ZGPBRJVDWLNIKQ-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN CC[C@H](CNC(=O)CCNC(=O)NC)N[C@@H](C)C(N)=O ZINC001494975120 893465642 /nfs/dbraw/zinc/46/56/42/893465642.db2.gz HYEQKZOYBMLVBV-DTWKUNHWSA-N 0 3 287.364 -1.336 20 0 CAADHN CC[C@H](CNC(=O)CC(N)=O)N[C@@H]1CCNC1=O ZINC001494953447 893465656 /nfs/dbraw/zinc/46/56/56/893465656.db2.gz KESYMRSHVZAOCE-HTQZYQBOSA-N 0 3 256.306 -1.765 20 0 CAADHN CCN(C(=O)CN1CCNC(=O)C1)[C@H]1CCN(CCO)C1 ZINC001494906094 893465768 /nfs/dbraw/zinc/46/57/68/893465768.db2.gz LHGOOICUJDMHDS-LBPRGKRZSA-N 0 3 298.387 -1.667 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)NCC(=O)N1CCC1 ZINC001494936345 893466279 /nfs/dbraw/zinc/46/62/79/893466279.db2.gz BKXMLJYPIIFCQQ-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN C[C@@H](CNC(=O)C(C)(C)N1CCCC1)NC(=O)C(N)=O ZINC001494927659 893466710 /nfs/dbraw/zinc/46/67/10/893466710.db2.gz LXGOBMWTNUTCTJ-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)N[C@H](C)C(N)=O ZINC001494989092 893468123 /nfs/dbraw/zinc/46/81/23/893468123.db2.gz OAIHESXSZMFYMU-SFYZADRCSA-N 0 3 273.337 -1.726 20 0 CAADHN CC[C@H](CNC(=O)C[C@H](C)NC(N)=O)NCC(N)=O ZINC001494984841 893468142 /nfs/dbraw/zinc/46/81/42/893468142.db2.gz LAKNREASAFPWDL-JGVFFNPUSA-N 0 3 273.337 -1.597 20 0 CAADHN CC[C@@H](CNC(=O)C[C@H](C)NC(N)=O)NCC(N)=O ZINC001494984843 893468311 /nfs/dbraw/zinc/46/83/11/893468311.db2.gz LAKNREASAFPWDL-YUMQZZPRSA-N 0 3 273.337 -1.597 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)NCC(=O)NC ZINC001494989617 893468501 /nfs/dbraw/zinc/46/85/01/893468501.db2.gz QWEKGSCMVSXQSQ-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)NCC(=O)NC ZINC001494989614 893468610 /nfs/dbraw/zinc/46/86/10/893468610.db2.gz QWEKGSCMVSXQSQ-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@@H](CNC(=O)CN1CCCNC1=O)NCC(=O)NC ZINC001495015130 893468960 /nfs/dbraw/zinc/46/89/60/893468960.db2.gz RAJQVEFZPRMIGO-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CCCN(C)CC(=O)N[C@H](C)CNC(=O)C(N)=O ZINC001495015208 893469623 /nfs/dbraw/zinc/46/96/23/893469623.db2.gz UDFKFMKXNRTJPI-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN CC[C@H](CNC(=O)CN1CCCNC1=O)NCC(=O)NC ZINC001495015131 893469736 /nfs/dbraw/zinc/46/97/36/893469736.db2.gz RAJQVEFZPRMIGO-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CC[C@@H](CNC(=O)c1cn2c(n1)COCC2)NCC(N)=O ZINC001495004193 893469952 /nfs/dbraw/zinc/46/99/52/893469952.db2.gz CNDGOUWUSGBSQY-VIFPVBQESA-N 0 3 295.343 -1.003 20 0 CAADHN CC[C@@H](CNC(=O)CCn1cnnn1)N[C@H]1CCNC1=O ZINC001495080463 893471099 /nfs/dbraw/zinc/47/10/99/893471099.db2.gz PZBKFTZAVVTBHY-UWVGGRQHSA-N 0 3 295.347 -1.564 20 0 CAADHN CC[C@H](CNC(=O)[C@H]1CNC(=O)N1)NCC(=O)N1CCC1 ZINC001495049841 893471756 /nfs/dbraw/zinc/47/17/56/893471756.db2.gz KSDPRIUUPLTOAT-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN CC[C@@H](CNC(=O)CCNC(N)=O)N[C@H](C)C(N)=O ZINC001495102564 893471790 /nfs/dbraw/zinc/47/17/90/893471790.db2.gz DEKRWNBLQJCBRP-SFYZADRCSA-N 0 3 273.337 -1.597 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001495040005 893471933 /nfs/dbraw/zinc/47/19/33/893471933.db2.gz XEAOWGXLLHIDCA-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN CC[C@H](CNC(=O)c1ccc(=O)n(C)n1)NCC(N)=O ZINC001495102596 893471954 /nfs/dbraw/zinc/47/19/54/893471954.db2.gz CGJKKHBZLHAKPV-MRVPVSSYSA-N 0 3 281.316 -1.636 20 0 CAADHN CC[C@H](CNC(=O)C(N)=O)NCc1cnn(C)c1 ZINC001495050718 893472124 /nfs/dbraw/zinc/47/21/24/893472124.db2.gz PUXIZTRWVLALBS-SECBINFHSA-N 0 3 253.306 -1.110 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001495040002 893472299 /nfs/dbraw/zinc/47/22/99/893472299.db2.gz XEAOWGXLLHIDCA-NXEZZACHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001495040003 893472364 /nfs/dbraw/zinc/47/23/64/893472364.db2.gz XEAOWGXLLHIDCA-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@H](CC)CNC(=O)C(N)=O ZINC001495052819 893472478 /nfs/dbraw/zinc/47/24/78/893472478.db2.gz ZSZMUYRGNAUBAP-DTWKUNHWSA-N 0 3 272.349 -1.129 20 0 CAADHN CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001495040007 893472916 /nfs/dbraw/zinc/47/29/16/893472916.db2.gz XEAOWGXLLHIDCA-ZJUUUORDSA-N 0 3 299.375 -1.370 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@H](CC)CNC(=O)C(N)=O ZINC001495052823 893473002 /nfs/dbraw/zinc/47/30/02/893473002.db2.gz ZSZMUYRGNAUBAP-RKDXNWHRSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@H](CNC(=O)CCn1cnnn1)N[C@H]1CCNC1=O ZINC001495080465 893473051 /nfs/dbraw/zinc/47/30/51/893473051.db2.gz PZBKFTZAVVTBHY-ZJUUUORDSA-N 0 3 295.347 -1.564 20 0 CAADHN CC[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N[C@H]1CCNC1=O ZINC001495051938 893473319 /nfs/dbraw/zinc/47/33/19/893473319.db2.gz VMOSYPULMRFCIK-IUCAKERBSA-N 0 3 293.327 -1.244 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)N[C@H]1CCN(CC)C1=O ZINC001495049620 893473416 /nfs/dbraw/zinc/47/34/16/893473416.db2.gz KYVSYBRQBKFLKL-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CCC(=O)NCC(=O)N[C@](C)(CNCC(N)=O)C1CC1 ZINC001495234274 893474705 /nfs/dbraw/zinc/47/47/05/893474705.db2.gz NQAOMKLAGCXUHX-CYBMUJFWSA-N 0 3 284.360 -1.128 20 0 CAADHN CC(C)NC(=O)CNC[C@](C)(NC(=O)C(N)=O)C1CC1 ZINC001495280682 893474841 /nfs/dbraw/zinc/47/48/41/893474841.db2.gz QIKGVGDBFPZUGF-ZDUSSCGKSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)CNCC1(NC(=O)[C@H](C)NC(N)=O)CCCC1 ZINC001495149968 893474882 /nfs/dbraw/zinc/47/48/82/893474882.db2.gz SGNJDXOKMMXOBP-VIFPVBQESA-N 0 3 299.375 -1.192 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001495226198 893475069 /nfs/dbraw/zinc/47/50/69/893475069.db2.gz PBKREAZMONISTD-GWCFXTLKSA-N 0 3 285.344 -1.238 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H](C)CS(C)(=O)=O)NCC(N)=O ZINC001495138263 893475115 /nfs/dbraw/zinc/47/51/15/893475115.db2.gz MLPXJINXPQJWSJ-IUCAKERBSA-N 0 3 293.389 -1.363 20 0 CAADHN CCN(C)C(=O)CNC[C@](C)(NC(=O)C(N)=O)C1CC1 ZINC001495277721 893475390 /nfs/dbraw/zinc/47/53/90/893475390.db2.gz FGNOEZAFAFGIBN-ZDUSSCGKSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)NCC(N)=O ZINC001495138265 893475447 /nfs/dbraw/zinc/47/54/47/893475447.db2.gz MLPXJINXPQJWSJ-RKDXNWHRSA-N 0 3 293.389 -1.363 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)c1c[nH]c(=O)cn1)C1CC1 ZINC001495282132 893475654 /nfs/dbraw/zinc/47/56/54/893475654.db2.gz WTWLPLFPSPJHTC-ZDUSSCGKSA-N 0 3 293.327 -1.257 20 0 CAADHN CN(C(=O)CNC[C@](C)(NC(=O)C(N)=O)C1CC1)C1CC1 ZINC001495278830 893475992 /nfs/dbraw/zinc/47/59/92/893475992.db2.gz JKTWICWVQRKMTF-AWEZNQCLSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)C(=O)NC1(CNCC(=O)N2CCC2)CCCC1 ZINC001495186390 893476486 /nfs/dbraw/zinc/47/64/86/893476486.db2.gz KHIVKCSWORQUJL-UHFFFAOYSA-N 0 3 282.344 -1.277 20 0 CAADHN C[C@@](CNCC(N)=O)(NC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001495267080 893476507 /nfs/dbraw/zinc/47/65/07/893476507.db2.gz OEMWWRGLXSLBQC-RNCFNFMXSA-N 0 3 282.344 -1.518 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001495292945 893479262 /nfs/dbraw/zinc/47/92/62/893479262.db2.gz WXNPWQDPMXNTMV-JTQLQIEISA-N 0 3 284.360 -1.222 20 0 CAADHN CS(=O)(=O)CCNC[C@H]1CCCN1C(=O)CC(N)=O ZINC001495548520 893480926 /nfs/dbraw/zinc/48/09/26/893480926.db2.gz FXUUBZJHCKJRKJ-SECBINFHSA-N 0 3 291.373 -1.513 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001495588254 893481628 /nfs/dbraw/zinc/48/16/28/893481628.db2.gz OWPNWGDCMQOYBW-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001495554046 893483271 /nfs/dbraw/zinc/48/32/71/893483271.db2.gz TXSUPBFGZVTRAG-IVZWLZJFSA-N 0 3 297.359 -1.488 20 0 CAADHN Cc1nonc1C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001496242647 893512588 /nfs/dbraw/zinc/51/25/88/893512588.db2.gz GHIDJNDRSBKCBI-LURJTMIESA-N 0 3 255.278 -1.087 20 0 CAADHN CC(C)N(C)CC(=O)N(C)CCNC(=O)Cn1cnnn1 ZINC001495835221 893491452 /nfs/dbraw/zinc/49/14/52/893491452.db2.gz DBYLGDFJJVUXHF-UHFFFAOYSA-N 0 3 297.363 -1.412 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN(C)C[C@@H](C)O ZINC001496837753 893535023 /nfs/dbraw/zinc/53/50/23/893535023.db2.gz GLUBLXDXMUIYKP-SECBINFHSA-N 0 3 281.378 -1.693 20 0 CAADHN CC[C@H](NC1(CNC(=O)C(N)=O)CCCC1)C(N)=O ZINC001495939988 893498218 /nfs/dbraw/zinc/49/82/18/893498218.db2.gz TUSSEFNOKBMHAJ-QMMMGPOBSA-N 0 3 270.333 -1.246 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cnn(C)c1 ZINC001495998602 893498240 /nfs/dbraw/zinc/49/82/40/893498240.db2.gz MGKHTNWGUSJIPK-QMMMGPOBSA-N 0 3 253.306 -1.045 20 0 CAADHN CC(=O)NCC(=O)N(C)[C@@H](C)CN[C@@H]1CCNC1=O ZINC001495990063 893498258 /nfs/dbraw/zinc/49/82/58/893498258.db2.gz QJOKYLKRACNWDO-WCBMZHEXSA-N 0 3 270.333 -1.553 20 0 CAADHN NC(=O)C(=O)NCC1(N[C@H]2CCNC2=O)CCCC1 ZINC001495939193 893499059 /nfs/dbraw/zinc/49/90/59/893499059.db2.gz CUQRBILVIMKLRL-QMMMGPOBSA-N 0 3 268.317 -1.621 20 0 CAADHN CN1CC[C@H](C(=O)NCC2(NCC(N)=O)CCCC2)C1=O ZINC001495935139 893499461 /nfs/dbraw/zinc/49/94/61/893499461.db2.gz BKNWYOLGYDDOCZ-SNVBAGLBSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)C(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CCCC1 ZINC001495939738 893499678 /nfs/dbraw/zinc/49/96/78/893499678.db2.gz OHTIBSJOSBKEJP-QMMMGPOBSA-N 0 3 296.327 -1.705 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cnn(C)c1 ZINC001495998600 893499958 /nfs/dbraw/zinc/49/99/58/893499958.db2.gz MGKHTNWGUSJIPK-MRVPVSSYSA-N 0 3 253.306 -1.045 20 0 CAADHN CC[C@@H](NC1(CNC(=O)C(N)=O)CCCC1)C(N)=O ZINC001495939987 893500003 /nfs/dbraw/zinc/50/00/03/893500003.db2.gz TUSSEFNOKBMHAJ-MRVPVSSYSA-N 0 3 270.333 -1.246 20 0 CAADHN CC(=O)N(C)[C@@H](C)CNCC(=O)N1CCNC(=O)C1 ZINC001495985937 893500679 /nfs/dbraw/zinc/50/06/79/893500679.db2.gz WTKIDCNANXZDAP-VIFPVBQESA-N 0 3 270.333 -1.599 20 0 CAADHN CC(C)NC(=O)CNC[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001496062187 893501815 /nfs/dbraw/zinc/50/18/15/893501815.db2.gz SOKJVIIQRUQFSH-JTQLQIEISA-N 0 3 297.363 -1.366 20 0 CAADHN CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001496048758 893501854 /nfs/dbraw/zinc/50/18/54/893501854.db2.gz FSXUYCUNEABEPX-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001496072166 893501951 /nfs/dbraw/zinc/50/19/51/893501951.db2.gz XROSRVKGDXJYOA-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)Cn1ncnn1 ZINC001496063202 893502265 /nfs/dbraw/zinc/50/22/65/893502265.db2.gz ZZTIMNRHUUEADG-BDAKNGLRSA-N 0 3 283.336 -1.756 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1cn(C)cn1 ZINC001496043352 893502425 /nfs/dbraw/zinc/50/24/25/893502425.db2.gz YWDGNHQOZPAYTA-QMMMGPOBSA-N 0 3 253.306 -1.045 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1COC(=O)N1 ZINC001496048746 893502524 /nfs/dbraw/zinc/50/25/24/893502524.db2.gz FSXUYCUNEABEPX-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NC1CC1)N(C)C(=O)CC(N)=O ZINC001496027947 893502664 /nfs/dbraw/zinc/50/26/64/893502664.db2.gz XQMRMRJLHUJIQI-RKDXNWHRSA-N 0 3 284.360 -1.035 20 0 CAADHN COC(=O)NCC(=O)N(C)[C@H](C)CN[C@H]1CCNC1=O ZINC001496011399 893502699 /nfs/dbraw/zinc/50/26/99/893502699.db2.gz IBOKZJKCHZXVSN-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@@H](C)CN[C@@H]2CCNC2=O)C1 ZINC001496042631 893502752 /nfs/dbraw/zinc/50/27/52/893502752.db2.gz RSZGYYSIBWUMFS-JOYOIKCWSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)Cn1ncnn1 ZINC001496063204 893503073 /nfs/dbraw/zinc/50/30/73/893503073.db2.gz ZZTIMNRHUUEADG-DTWKUNHWSA-N 0 3 283.336 -1.756 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)c1cn(C)nn1 ZINC001496047942 893503252 /nfs/dbraw/zinc/50/32/52/893503252.db2.gz BTNYTBZQOYDEQS-MRVPVSSYSA-N 0 3 268.321 -1.389 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCOC1 ZINC001496018584 893503527 /nfs/dbraw/zinc/50/35/27/893503527.db2.gz VLKVBZHYVZSTIZ-IUCAKERBSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)NC1CC1)N(C)C(=O)CC(N)=O ZINC001496027919 893504444 /nfs/dbraw/zinc/50/44/44/893504444.db2.gz XQMRMRJLHUJIQI-BDAKNGLRSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCOC1 ZINC001496018580 893504571 /nfs/dbraw/zinc/50/45/71/893504571.db2.gz VLKVBZHYVZSTIZ-DTWKUNHWSA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)Cc1cc[nH]n1 ZINC001496027376 893504897 /nfs/dbraw/zinc/50/48/97/893504897.db2.gz SIQSRBCHYHDPKC-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001496048776 893505051 /nfs/dbraw/zinc/50/50/51/893505051.db2.gz FSXUYCUNEABEPX-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001496072167 893505133 /nfs/dbraw/zinc/50/51/33/893505133.db2.gz XROSRVKGDXJYOA-QWRGUYRKSA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@@H](CN[C@H]1CCCNC1=O)N(C)C(=O)Cn1ncnn1 ZINC001496061441 893505452 /nfs/dbraw/zinc/50/54/52/893505452.db2.gz MYGXIRXRNYYUBU-UWVGGRQHSA-N 0 3 295.347 -1.612 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NC1CC1)N(C)C(=O)CC(N)=O ZINC001496027937 893505668 /nfs/dbraw/zinc/50/56/68/893505668.db2.gz XQMRMRJLHUJIQI-IUCAKERBSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001496110295 893506726 /nfs/dbraw/zinc/50/67/26/893506726.db2.gz IRKALMSNNXODMI-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001496144059 893507146 /nfs/dbraw/zinc/50/71/46/893507146.db2.gz SOQQNHBFXMTEDP-IUCAKERBSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cncn1C ZINC001496106671 893507694 /nfs/dbraw/zinc/50/76/94/893507694.db2.gz ZWQMQDQMZGNKNM-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001496088762 893507770 /nfs/dbraw/zinc/50/77/70/893507770.db2.gz ACYBLYDURNOPHR-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNC[C@H](C)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001496082392 893507861 /nfs/dbraw/zinc/50/78/61/893507861.db2.gz ZCFBITYDZRWFPQ-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001496157029 893507958 /nfs/dbraw/zinc/50/79/58/893507958.db2.gz JBEGEESRMCVGFR-XHNCKOQMSA-N 0 3 286.332 -2.059 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001496110293 893507989 /nfs/dbraw/zinc/50/79/89/893507989.db2.gz IRKALMSNNXODMI-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001496143917 893509229 /nfs/dbraw/zinc/50/92/29/893509229.db2.gz KGBRFHDAABSWAD-SFYZADRCSA-N 0 3 281.316 -1.306 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001496110291 893508898 /nfs/dbraw/zinc/50/88/98/893508898.db2.gz IRKALMSNNXODMI-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@@H]1CNC(=O)N1 ZINC001496144057 893509151 /nfs/dbraw/zinc/50/91/51/893509151.db2.gz SOQQNHBFXMTEDP-BDAKNGLRSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001496145443 893509871 /nfs/dbraw/zinc/50/98/71/893509871.db2.gz PTZHNIFQFZXKTC-VIFPVBQESA-N 0 3 295.343 -1.092 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001496093384 893509999 /nfs/dbraw/zinc/50/99/99/893509999.db2.gz HYGUAGJCWFFPFU-HTQZYQBOSA-N 0 3 279.362 -1.659 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001496228117 893510688 /nfs/dbraw/zinc/51/06/88/893510688.db2.gz XILOQWILSKFSID-HTQZYQBOSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)c1nc[n-]n1 ZINC001496187460 893510542 /nfs/dbraw/zinc/51/05/42/893510542.db2.gz XXSFUFCUOPAGBP-SFYZADRCSA-N 0 3 294.315 -1.340 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)Cn1cncn1 ZINC001496226784 893511508 /nfs/dbraw/zinc/51/15/08/893511508.db2.gz NJRMUBABECJCLH-VHSXEESVSA-N 0 3 282.348 -1.151 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)Cn1cncn1 ZINC001496226783 893511670 /nfs/dbraw/zinc/51/16/70/893511670.db2.gz NJRMUBABECJCLH-UWVGGRQHSA-N 0 3 282.348 -1.151 20 0 CAADHN C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)c1nc[n-]n1 ZINC001496187461 893511731 /nfs/dbraw/zinc/51/17/31/893511731.db2.gz XXSFUFCUOPAGBP-YUMQZZPRSA-N 0 3 294.315 -1.340 20 0 CAADHN CCS(=O)(=O)CC(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001496240070 893512165 /nfs/dbraw/zinc/51/21/65/893512165.db2.gz WAXIOGXCMREZDL-QMMMGPOBSA-N 0 3 279.362 -1.657 20 0 CAADHN CNC(=O)C1(C(=O)N(C)[C@H](C)CNCC(N)=O)CC1 ZINC001496180563 893512262 /nfs/dbraw/zinc/51/22/62/893512262.db2.gz HZMLCUKFKREQES-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1nc[n-]n1 ZINC001496186863 893512341 /nfs/dbraw/zinc/51/23/41/893512341.db2.gz UGBOUQOTRXARCP-ZETCQYMHSA-N 0 3 297.319 -1.690 20 0 CAADHN CC(C)C[C@@H](CNCC(N)=O)NC(=O)CC(N)=O ZINC001496261516 893512460 /nfs/dbraw/zinc/51/24/60/893512460.db2.gz FEGOPFHXEYBSBP-QMMMGPOBSA-N 0 3 258.322 -1.532 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)CCNC(N)=O ZINC001496227318 893513155 /nfs/dbraw/zinc/51/31/55/893513155.db2.gz PUUFLTCDKYWBJH-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)Cc1cncn1C ZINC001496207132 893513541 /nfs/dbraw/zinc/51/35/41/893513541.db2.gz NMQYEOGMVBJSBK-SECBINFHSA-N 0 3 267.333 -1.116 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)N(C)C(=O)c1cccnn1 ZINC001496193166 893514509 /nfs/dbraw/zinc/51/45/09/893514509.db2.gz FHKDESUSMQIQAE-QMMMGPOBSA-N 0 3 294.315 -1.278 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CC[C@H]1NC(=O)NC1=O ZINC001496228118 893514872 /nfs/dbraw/zinc/51/48/72/893514872.db2.gz XILOQWILSKFSID-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H]1CCCN(C(=O)c2nnn(C)n2)[C@H]1CNCC(N)=O ZINC001496481881 893519692 /nfs/dbraw/zinc/51/96/92/893519692.db2.gz XFYKRSXBKRAPNG-IUCAKERBSA-N 0 3 295.347 -1.474 20 0 CAADHN C[C@H]1CCCN(C(=O)Cn2cnnn2)[C@H]1CNCC(N)=O ZINC001496466015 893521498 /nfs/dbraw/zinc/52/14/98/893521498.db2.gz MTNSRBIDXGIXFD-UWVGGRQHSA-N 0 3 295.347 -1.625 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H](C)[C@H]1CNCC(N)=O ZINC001496469303 893521965 /nfs/dbraw/zinc/52/19/65/893521965.db2.gz WEXXUQPOWSPGIW-NXEZZACHSA-N 0 3 299.375 -1.383 20 0 CAADHN CN(CCNC(=O)Cn1cncn1)C(=O)[C@@H]1CCCN1C ZINC001496581013 893523413 /nfs/dbraw/zinc/52/34/13/893523413.db2.gz XAWLQFBIQQMFRO-NSHDSACASA-N 0 3 294.359 -1.053 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCC(N)=O ZINC001496594921 893523661 /nfs/dbraw/zinc/52/36/61/893523661.db2.gz LOUKAPXNJYKNBT-ZJUUUORDSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)NCC(N)=O ZINC001496610905 893525396 /nfs/dbraw/zinc/52/53/96/893525396.db2.gz GAOXVHPMJJMDJB-UWVGGRQHSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(C)[C@@H](CNC(=O)[C@@H]1CCN(C)C1=O)NCC(N)=O ZINC001496597065 893525433 /nfs/dbraw/zinc/52/54/33/893525433.db2.gz XDQBJTXXEFSHFT-VHSXEESVSA-N 0 3 284.360 -1.320 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](NCC(N)=O)C(C)C ZINC001496530940 893525486 /nfs/dbraw/zinc/52/54/86/893525486.db2.gz CGPGFNIUSPAPJC-MRVPVSSYSA-N 0 3 274.321 -1.442 20 0 CAADHN CC(C)[C@H](CNC(=O)[C@H]1CCN(C)C1=O)NCC(N)=O ZINC001496597067 893525697 /nfs/dbraw/zinc/52/56/97/893525697.db2.gz XDQBJTXXEFSHFT-ZJUUUORDSA-N 0 3 284.360 -1.320 20 0 CAADHN CCCNC(=O)CN[C@@H](CNC(=O)C(N)=O)C(C)C ZINC001496598440 893525883 /nfs/dbraw/zinc/52/58/83/893525883.db2.gz LNUOFUUMCOIAHU-VIFPVBQESA-N 0 3 272.349 -1.272 20 0 CAADHN CCCNC(=O)CN[C@H](CNC(=O)C(N)=O)C(C)C ZINC001496598439 893526883 /nfs/dbraw/zinc/52/68/83/893526883.db2.gz LNUOFUUMCOIAHU-SECBINFHSA-N 0 3 272.349 -1.272 20 0 CAADHN CN(CCO)CCN(C)C(=O)CCCS(N)(=O)=O ZINC001496770448 893529963 /nfs/dbraw/zinc/52/99/63/893529963.db2.gz GVLLMVMTLNVPCJ-UHFFFAOYSA-N 0 3 281.378 -1.562 20 0 CAADHN COC[C@@H](O)CN(C)CCN(C)C(=O)CC(N)=O ZINC001496675822 893530185 /nfs/dbraw/zinc/53/01/85/893530185.db2.gz IBCLZGHDKWXVKG-VIFPVBQESA-N 0 3 261.322 -1.741 20 0 CAADHN CN(CCCO)CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001496738721 893533160 /nfs/dbraw/zinc/53/31/60/893533160.db2.gz IDJKXHHTJUKUGM-UHFFFAOYSA-N 0 3 298.343 -1.279 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001496837682 893534557 /nfs/dbraw/zinc/53/45/57/893534557.db2.gz DSZDEXMXSWOWLJ-ZJUUUORDSA-N 0 3 293.389 -1.551 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001496837680 893534743 /nfs/dbraw/zinc/53/47/43/893534743.db2.gz DSZDEXMXSWOWLJ-UWVGGRQHSA-N 0 3 293.389 -1.551 20 0 CAADHN CN(CCCO)CCN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001496779709 893535246 /nfs/dbraw/zinc/53/52/46/893535246.db2.gz ALTSULORZDHVLA-WDEREUQCSA-N 0 3 287.360 -1.208 20 0 CAADHN C[C@H](O)CN(C)CCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001496846691 893536364 /nfs/dbraw/zinc/53/63/64/893536364.db2.gz KQSAKSMMYDQOQG-UWVGGRQHSA-N 0 3 285.344 -1.190 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C(F)F ZINC001496923781 893538161 /nfs/dbraw/zinc/53/81/61/893538161.db2.gz BGGIHRRCHQVDNH-RITPCOANSA-N 0 3 253.249 -1.547 20 0 CAADHN COCCC(=O)NC[C@@H](O)CNCC(=O)N1CCCC1 ZINC001496923966 893538430 /nfs/dbraw/zinc/53/84/30/893538430.db2.gz PDIKFUKVVQIUIE-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001496846693 893538678 /nfs/dbraw/zinc/53/86/78/893538678.db2.gz KQSAKSMMYDQOQG-ZJUUUORDSA-N 0 3 285.344 -1.190 20 0 CAADHN C[C@@H](O)CN(C)CCN(C)C(=O)C1CC(=O)NC(=O)C1 ZINC001496801441 893539536 /nfs/dbraw/zinc/53/95/36/893539536.db2.gz QEWJWIDMNCUIEK-SECBINFHSA-N 0 3 285.344 -1.190 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN(C)C[C@H](C)O ZINC001496837756 893539971 /nfs/dbraw/zinc/53/99/71/893539971.db2.gz GLUBLXDXMUIYKP-VIFPVBQESA-N 0 3 281.378 -1.693 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)C(C)(F)F)C1=O ZINC001496925765 893540463 /nfs/dbraw/zinc/54/04/63/893540463.db2.gz LQNSSRLETKBMQC-HTQZYQBOSA-N 0 3 279.287 -1.061 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)CNC(C)=O ZINC001496934800 893540754 /nfs/dbraw/zinc/54/07/54/893540754.db2.gz YXTZRRGBOCRPMW-JTQLQIEISA-N 0 3 288.348 -2.333 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)c1ccco1 ZINC001496926956 893541092 /nfs/dbraw/zinc/54/10/92/893541092.db2.gz DCGBZNMEYACYNI-MRVPVSSYSA-N 0 3 298.299 -1.585 20 0 CAADHN CCC(=O)NC[C@H](O)CNCCN(C)S(C)(=O)=O ZINC001496925929 893541149 /nfs/dbraw/zinc/54/11/49/893541149.db2.gz XIILIQSMAQFPOM-SECBINFHSA-N 0 3 281.378 -1.646 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)C(C)(F)F)C1=O ZINC001496925766 893541297 /nfs/dbraw/zinc/54/12/97/893541297.db2.gz LQNSSRLETKBMQC-JGVFFNPUSA-N 0 3 279.287 -1.061 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cccnc1 ZINC001496927264 893542100 /nfs/dbraw/zinc/54/21/00/893542100.db2.gz HZXZRHYZOJTETG-GXSJLCMTSA-N 0 3 280.328 -1.104 20 0 CAADHN CC(F)(F)C(=O)NC[C@@H](O)CNCCS(C)(=O)=O ZINC001496932550 893542348 /nfs/dbraw/zinc/54/23/48/893542348.db2.gz LCBIVLKKNXRONB-ZETCQYMHSA-N 0 3 288.316 -1.247 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)C1=COCCO1)NC1CC1 ZINC001496927338 893542890 /nfs/dbraw/zinc/54/28/90/893542890.db2.gz ACCWFMYCPIFNAA-JTQLQIEISA-N 0 3 299.327 -1.780 20 0 CAADHN CC(F)(F)C(=O)NC[C@H](O)CNCC(=O)N1CCC1 ZINC001496933678 893544215 /nfs/dbraw/zinc/54/42/15/893544215.db2.gz QQRLEEUMKZBQPS-MRVPVSSYSA-N 0 3 279.287 -1.059 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)c1ccco1 ZINC001496926957 893543935 /nfs/dbraw/zinc/54/39/35/893543935.db2.gz DCGBZNMEYACYNI-QMMMGPOBSA-N 0 3 298.299 -1.585 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)C1=COCCO1)NC1CC1 ZINC001496927346 893544018 /nfs/dbraw/zinc/54/40/18/893544018.db2.gz ACCWFMYCPIFNAA-SNVBAGLBSA-N 0 3 299.327 -1.780 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](O)CNC(=O)CCOC ZINC001496926275 893544092 /nfs/dbraw/zinc/54/40/92/893544092.db2.gz ZIJCVDRDZJGVIK-MRVPVSSYSA-N 0 3 290.320 -2.455 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](O)CNCC(=O)NC(C)C ZINC001496935061 893544238 /nfs/dbraw/zinc/54/42/38/893544238.db2.gz ZZVRTVGZCHYJJH-JTQLQIEISA-N 0 3 288.348 -2.286 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)Cn2cccn2)C1=O ZINC001496937933 893545253 /nfs/dbraw/zinc/54/52/53/893545253.db2.gz UNQZVGHYDPLRMN-QWRGUYRKSA-N 0 3 295.343 -1.820 20 0 CAADHN CC(C)C(=O)NC[C@H](O)CNCCN(C)S(C)(=O)=O ZINC001496941189 893545438 /nfs/dbraw/zinc/54/54/38/893545438.db2.gz RDSLHEWZPFNCOB-SNVBAGLBSA-N 0 3 295.405 -1.400 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccc(=O)[nH]n1 ZINC001496939039 893545493 /nfs/dbraw/zinc/54/54/93/893545493.db2.gz ODTIPOWEFBBBFC-HTQZYQBOSA-N 0 3 295.299 -2.249 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)Cn2cccn2)C1=O ZINC001496937932 893545559 /nfs/dbraw/zinc/54/55/59/893545559.db2.gz UNQZVGHYDPLRMN-MNOVXSKESA-N 0 3 295.343 -1.820 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C[C@@H]1C=CCC1 ZINC001496936531 893545694 /nfs/dbraw/zinc/54/56/94/893545694.db2.gz LTWXYYMFORIJDB-NXEZZACHSA-N 0 3 255.318 -1.105 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnn(C)c1C ZINC001496941779 893547133 /nfs/dbraw/zinc/54/71/33/893547133.db2.gz ZGUBGKIOTXRYRX-SECBINFHSA-N 0 3 283.332 -1.845 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cc(C)n[nH]1 ZINC001496944127 893547735 /nfs/dbraw/zinc/54/77/35/893547735.db2.gz LIJPCFHWJATMLY-RKDXNWHRSA-N 0 3 283.332 -1.467 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CNC(=O)C1CC1 ZINC001496943410 893547796 /nfs/dbraw/zinc/54/77/96/893547796.db2.gz CDKHOJUNIFSSGI-VIFPVBQESA-N 0 3 286.332 -2.675 20 0 CAADHN CC(C)C(=O)NC[C@@H](O)CN[C@@H]1CCC(=O)NC1=O ZINC001496940060 893547838 /nfs/dbraw/zinc/54/78/38/893547838.db2.gz KPKANYCNPLAHFE-DTWKUNHWSA-N 0 3 271.317 -1.486 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)Cn2cnnn2)cn1 ZINC001496938463 893547877 /nfs/dbraw/zinc/54/78/77/893547877.db2.gz LLPKHJUGNVBQQZ-JTQLQIEISA-N 0 3 294.319 -2.327 20 0 CAADHN CC(=O)N(C)CC(=O)NC[C@H](O)CNCC(N)=O ZINC001496944133 893547916 /nfs/dbraw/zinc/54/79/16/893547916.db2.gz HNAMUOZWPJKTJZ-MRVPVSSYSA-N 0 3 260.294 -2.983 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)c1C ZINC001496941783 893548031 /nfs/dbraw/zinc/54/80/31/893548031.db2.gz ZGUBGKIOTXRYRX-VIFPVBQESA-N 0 3 283.332 -1.845 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1cc(C)n[nH]1)C(N)=O ZINC001496943813 893548721 /nfs/dbraw/zinc/54/87/21/893548721.db2.gz HWESKLKVAUCENR-RKDXNWHRSA-N 0 3 283.332 -1.338 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cnn(C)c1C ZINC001496941825 893548817 /nfs/dbraw/zinc/54/88/17/893548817.db2.gz ZPYFPIPQIDAKHH-JTQLQIEISA-N 0 3 297.359 -1.455 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001496944134 893548892 /nfs/dbraw/zinc/54/88/92/893548892.db2.gz LJKGKNSQURFACE-QMMMGPOBSA-N 0 3 255.278 -2.164 20 0 CAADHN CC(C)C(=O)NC[C@@H](O)CN[C@H]1CCC(=O)NC1=O ZINC001496940061 893549002 /nfs/dbraw/zinc/54/90/02/893549002.db2.gz KPKANYCNPLAHFE-IUCAKERBSA-N 0 3 271.317 -1.486 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H](O)CNCc1cncs1 ZINC001496938595 893549062 /nfs/dbraw/zinc/54/90/62/893549062.db2.gz MIIIIXLPXSWTET-QMMMGPOBSA-N 0 3 297.344 -1.604 20 0 CAADHN O=C(NC[C@H](O)CNCCF)c1ccc(=O)[nH]n1 ZINC001496938047 893549288 /nfs/dbraw/zinc/54/92/88/893549288.db2.gz JWLHIZYJTGFHIV-SSDOTTSWSA-N 0 3 258.253 -1.168 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CN1CCCC1=O ZINC001496939816 893549633 /nfs/dbraw/zinc/54/96/33/893549633.db2.gz RNVCWIJXEJCXNS-SECBINFHSA-N 0 3 286.332 -2.579 20 0 CAADHN O=C(NC[C@@H](O)CNCc1ccccn1)[C@H]1CCC(=O)N1 ZINC001496949816 893550098 /nfs/dbraw/zinc/55/00/98/893550098.db2.gz LAZIYLPVPKTWQK-NWDGAFQWSA-N 0 3 292.339 -1.073 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)C2=COCCC2)C1=O ZINC001496948618 893550153 /nfs/dbraw/zinc/55/01/53/893550153.db2.gz DRXRTXYDJFGOHS-RYUDHWBXSA-N 0 3 297.355 -1.022 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CSC(C)C ZINC001496946601 893550230 /nfs/dbraw/zinc/55/02/30/893550230.db2.gz RZTFGJSVYDYVBI-SECBINFHSA-N 0 3 277.390 -1.059 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@@H](O)CNC(=O)c1cn[nH]c1 ZINC001496944638 893550375 /nfs/dbraw/zinc/55/03/75/893550375.db2.gz QWHOZGCRDIMBIB-LLVKDONJSA-N 0 3 297.359 -1.043 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccnn1C)C(N)=O ZINC001496947645 893550423 /nfs/dbraw/zinc/55/04/23/893550423.db2.gz ARTIEPNYUUKQNU-JGVFFNPUSA-N 0 3 269.305 -2.026 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CSC(C)C ZINC001496946602 893550989 /nfs/dbraw/zinc/55/09/89/893550989.db2.gz RZTFGJSVYDYVBI-VIFPVBQESA-N 0 3 277.390 -1.059 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001496944639 893551137 /nfs/dbraw/zinc/55/11/37/893551137.db2.gz QWHOZGCRDIMBIB-NSHDSACASA-N 0 3 297.359 -1.043 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCOC1 ZINC001496949244 893552246 /nfs/dbraw/zinc/55/22/46/893552246.db2.gz BMTRPCNRJLYIJA-GHMZBOCLSA-N 0 3 287.360 -1.386 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)C2=COCCC2)C1=O ZINC001496948593 893551729 /nfs/dbraw/zinc/55/17/29/893551729.db2.gz DRXRTXYDJFGOHS-NEPJUHHUSA-N 0 3 297.355 -1.022 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCCOC1 ZINC001496947661 893552193 /nfs/dbraw/zinc/55/21/93/893552193.db2.gz ATEONGJDWOYHPL-GHMZBOCLSA-N 0 3 287.360 -1.384 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cocn1)C(=O)N(C)C ZINC001496948169 893552544 /nfs/dbraw/zinc/55/25/44/893552544.db2.gz BYYXLTZQLXVHKA-DTWKUNHWSA-N 0 3 284.316 -1.168 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CNC(=O)c2ccn[nH]2)C1=O ZINC001496947290 893552585 /nfs/dbraw/zinc/55/25/85/893552585.db2.gz VDXNGPILFVVNKH-GXSJLCMTSA-N 0 3 295.343 -1.289 20 0 CAADHN C[C@H]([NH2+]C[C@H](O)CNC(=O)c1ccccc1[O-])C(N)=O ZINC001496947303 893552764 /nfs/dbraw/zinc/55/27/64/893552764.db2.gz VGOXEPUNERVTSQ-IUCAKERBSA-N 0 3 281.312 -1.054 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCOC1 ZINC001496949259 893553123 /nfs/dbraw/zinc/55/31/23/893553123.db2.gz BMTRPCNRJLYIJA-QWRGUYRKSA-N 0 3 287.360 -1.386 20 0 CAADHN COC(=O)NCC(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001496944588 893553404 /nfs/dbraw/zinc/55/34/04/893553404.db2.gz PQJLPTUXQDMZDP-HTQZYQBOSA-N 0 3 288.304 -2.702 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cccc(C)n1 ZINC001496946688 893553663 /nfs/dbraw/zinc/55/36/63/893553663.db2.gz SRSJEDWJHDICKN-JTQLQIEISA-N 0 3 280.328 -1.184 20 0 CAADHN C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1ccccc1[O-])C(N)=O ZINC001496947302 893553812 /nfs/dbraw/zinc/55/38/12/893553812.db2.gz VGOXEPUNERVTSQ-DTWKUNHWSA-N 0 3 281.312 -1.054 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)OC ZINC001496949810 893554548 /nfs/dbraw/zinc/55/45/48/893554548.db2.gz CDTGOLQJCDRSQL-SFYZADRCSA-N 0 3 290.320 -2.456 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1cc(C)nn1C ZINC001496954619 893555574 /nfs/dbraw/zinc/55/55/74/893555574.db2.gz VXUFZXLUPSOOAY-NXEZZACHSA-N 0 3 297.359 -1.457 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](O)CNCC(=O)N(C)C(C)C ZINC001496954936 893555854 /nfs/dbraw/zinc/55/58/54/893555854.db2.gz XTQHXFQGEGCTEL-QWRGUYRKSA-N 0 3 289.376 -1.045 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1cc(C)nn1C ZINC001496954629 893556240 /nfs/dbraw/zinc/55/62/40/893556240.db2.gz VXUFZXLUPSOOAY-ZJUUUORDSA-N 0 3 297.359 -1.457 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CS(=O)(=O)NC ZINC001497111146 893604690 /nfs/dbraw/zinc/60/46/90/893604690.db2.gz PHSZSIAHWCHZHJ-ZETCQYMHSA-N 0 3 296.349 -3.652 20 0 CAADHN Cc1cc(CC(=O)NC[C@@H](O)CNCC(=O)N(C)C)no1 ZINC001496955565 893556604 /nfs/dbraw/zinc/55/66/04/893556604.db2.gz QQGPVBXHWCYFFM-NSHDSACASA-N 0 3 298.343 -1.320 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cc(C)nn1C ZINC001496954627 893556731 /nfs/dbraw/zinc/55/67/31/893556731.db2.gz VXUFZXLUPSOOAY-VHSXEESVSA-N 0 3 297.359 -1.457 20 0 CAADHN Cc1cc(CC(=O)NC[C@H](O)CNCC(=O)N(C)C)no1 ZINC001496955564 893556958 /nfs/dbraw/zinc/55/69/58/893556958.db2.gz QQGPVBXHWCYFFM-LLVKDONJSA-N 0 3 298.343 -1.320 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cc1cc[nH]n1)C(N)=O ZINC001496956752 893557121 /nfs/dbraw/zinc/55/71/21/893557121.db2.gz CBHQQTNGHLOBTM-IONNQARKSA-N 0 3 269.305 -2.107 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CS(C)(=O)=O ZINC001496950845 893557665 /nfs/dbraw/zinc/55/76/65/893557665.db2.gz HBEGMJUQSNEZGV-SSDOTTSWSA-N 0 3 281.334 -3.156 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CS(C)(=O)=O ZINC001496950846 893558532 /nfs/dbraw/zinc/55/85/32/893558532.db2.gz HBEGMJUQSNEZGV-ZETCQYMHSA-N 0 3 281.334 -3.156 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1nnn(C)c1C)C(N)=O ZINC001496957529 893558294 /nfs/dbraw/zinc/55/82/94/893558294.db2.gz JVGMRMPYIXXCLA-IUCAKERBSA-N 0 3 298.347 -1.932 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](O)CNCC(=O)NC(C)C)[nH]1 ZINC001496954839 893558368 /nfs/dbraw/zinc/55/83/68/893558368.db2.gz KHMIVGLAIIUKFX-JTQLQIEISA-N 0 3 297.359 -1.077 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CNCC(N)=O)nnn1C ZINC001496957652 893558885 /nfs/dbraw/zinc/55/88/85/893558885.db2.gz LHYYPWZTMDSOPE-ZETCQYMHSA-N 0 3 270.293 -2.711 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)c1ccnn1C ZINC001496951351 893559412 /nfs/dbraw/zinc/55/94/12/893559412.db2.gz UTQGLYHOWGYIPZ-RKDXNWHRSA-N 0 3 283.332 -1.765 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1ccon1 ZINC001496957113 893559456 /nfs/dbraw/zinc/55/94/56/893559456.db2.gz GLZFNCUELLYHTQ-SNVBAGLBSA-N 0 3 284.316 -1.628 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1nnn(C)c1C)C(N)=O ZINC001496957530 893559841 /nfs/dbraw/zinc/55/98/41/893559841.db2.gz JVGMRMPYIXXCLA-RKDXNWHRSA-N 0 3 298.347 -1.932 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cncnc1 ZINC001496968049 893560822 /nfs/dbraw/zinc/56/08/22/893560822.db2.gz HRMGQPDTQPHGFS-SECBINFHSA-N 0 3 267.289 -2.097 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)Cc1cc[nH]n1 ZINC001496957974 893561195 /nfs/dbraw/zinc/56/11/95/893561195.db2.gz ORRNHMFNEUDKKL-PSASIEDQSA-N 0 3 283.332 -1.847 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001496968007 893561380 /nfs/dbraw/zinc/56/13/80/893561380.db2.gz GRDRWPFZLDAZJR-WCBMZHEXSA-N 0 3 298.347 -1.956 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ccnn1CC)C(N)=O ZINC001496969067 893561460 /nfs/dbraw/zinc/56/14/60/893561460.db2.gz QFYRTASTBOGDLY-VHSXEESVSA-N 0 3 297.359 -1.153 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCC(=O)NC1=O)C1=CCCC1 ZINC001496963790 893561796 /nfs/dbraw/zinc/56/17/96/893561796.db2.gz KPVLQZXPPZHVKC-WDEREUQCSA-N 0 3 295.339 -1.031 20 0 CAADHN O=C(Cc1cccnc1)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001496963648 893562067 /nfs/dbraw/zinc/56/20/67/893562067.db2.gz JOZOTUNLNYNZTL-NWDGAFQWSA-N 0 3 292.339 -1.421 20 0 CAADHN CC[C@H](SC)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001496965392 893562140 /nfs/dbraw/zinc/56/21/40/893562140.db2.gz OTRMHNAAQCNTIB-YUMQZZPRSA-N 0 3 263.363 -1.320 20 0 CAADHN C/C=C(\C)C(=O)NC[C@H](O)CN[C@H]1CCC(=O)NC1=O ZINC001496965779 893562385 /nfs/dbraw/zinc/56/23/85/893562385.db2.gz HLJSYLGRDCOKSF-UNLJNPQMSA-N 0 3 283.328 -1.176 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCC(=O)NC1=O)C1=CCCC1 ZINC001496963788 893562449 /nfs/dbraw/zinc/56/24/49/893562449.db2.gz KPVLQZXPPZHVKC-MNOVXSKESA-N 0 3 295.339 -1.031 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cncnc1)C(=O)N(C)C ZINC001496969540 893562494 /nfs/dbraw/zinc/56/24/94/893562494.db2.gz RUBPAKPAOZQLCV-KOLCDFICSA-N 0 3 295.343 -1.366 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccnn1CC)C(N)=O ZINC001496969065 893562579 /nfs/dbraw/zinc/56/25/79/893562579.db2.gz QFYRTASTBOGDLY-NXEZZACHSA-N 0 3 297.359 -1.153 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1n[nH]c(C)c1C ZINC001496957924 893563035 /nfs/dbraw/zinc/56/30/35/893563035.db2.gz NYLGWCSXVBRATK-JTQLQIEISA-N 0 3 297.359 -1.157 20 0 CAADHN CC[C@@H](SC)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001496965390 893563180 /nfs/dbraw/zinc/56/31/80/893563180.db2.gz OTRMHNAAQCNTIB-JGVFFNPUSA-N 0 3 263.363 -1.320 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CC[C@H]1CCOC1 ZINC001496967772 893564004 /nfs/dbraw/zinc/56/40/04/893564004.db2.gz YYGLSRMPMAVAEX-WDEREUQCSA-N 0 3 287.360 -1.384 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CC(N)=O)C(=O)NC1CC1 ZINC001496958215 893564042 /nfs/dbraw/zinc/56/40/42/893564042.db2.gz OZPOFPNKNQRUDH-VXNVDRBHSA-N 0 3 286.332 -2.404 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001496976653 893565422 /nfs/dbraw/zinc/56/54/22/893565422.db2.gz PBGGMOHIDXYINM-BDAKNGLRSA-N 0 3 298.347 -2.028 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@@H]1COC(=O)N1 ZINC001496976038 893566493 /nfs/dbraw/zinc/56/64/93/893566493.db2.gz LASZFZIGXMJXJI-UWVGGRQHSA-N 0 3 297.315 -1.905 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CN[C@H]2CCCNC2=O)n1 ZINC001496976844 893566648 /nfs/dbraw/zinc/56/66/48/893566648.db2.gz HCZZRTLTMJVTDC-BDAKNGLRSA-N 0 3 296.331 -2.226 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1ncn(C)n1)C(N)=O ZINC001496976804 893567515 /nfs/dbraw/zinc/56/75/15/893567515.db2.gz GTXISEIYEYSTMG-JGVFFNPUSA-N 0 3 284.320 -2.241 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@H]1COC(=O)N1 ZINC001496976039 893568004 /nfs/dbraw/zinc/56/80/04/893568004.db2.gz LASZFZIGXMJXJI-VHSXEESVSA-N 0 3 297.315 -1.905 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)n1 ZINC001496977082 893568630 /nfs/dbraw/zinc/56/86/30/893568630.db2.gz JPDNVCJREPVUHK-BDAKNGLRSA-N 0 3 296.331 -2.274 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)C1 ZINC001496970701 893568748 /nfs/dbraw/zinc/56/87/48/893568748.db2.gz MDRHGYRNMKYQHE-MNOVXSKESA-N 0 3 298.343 -2.580 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cn(C)nn1)C(=O)N(C)C ZINC001496976657 893569014 /nfs/dbraw/zinc/56/90/14/893569014.db2.gz PBGGMOHIDXYINM-DTWKUNHWSA-N 0 3 298.347 -2.028 20 0 CAADHN Cn1cnc(C(=O)NC[C@H](O)CN[C@@H]2CCCNC2=O)n1 ZINC001496976847 893569046 /nfs/dbraw/zinc/56/90/46/893569046.db2.gz HCZZRTLTMJVTDC-RKDXNWHRSA-N 0 3 296.331 -2.226 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)C1 ZINC001496970703 893569229 /nfs/dbraw/zinc/56/92/29/893569229.db2.gz MDRHGYRNMKYQHE-QWRGUYRKSA-N 0 3 298.343 -2.580 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CN[C@@H]2CCNC2=O)n1 ZINC001496978281 893569438 /nfs/dbraw/zinc/56/94/38/893569438.db2.gz ZUAUHQBRROJDOX-DTWKUNHWSA-N 0 3 296.331 -2.133 20 0 CAADHN CS(=O)(=O)CCNC[C@H](O)CNC(=O)c1ncc[nH]1 ZINC001496977035 893569471 /nfs/dbraw/zinc/56/94/71/893569471.db2.gz JDLNOUPEYLVDNP-QMMMGPOBSA-N 0 3 290.345 -1.865 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1(F)CCOCC1 ZINC001496989414 893570492 /nfs/dbraw/zinc/57/04/92/893570492.db2.gz BURPMQFWSINCOW-QMMMGPOBSA-N 0 3 277.296 -1.943 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CCc1c[nH]cn1)C(N)=O ZINC001496990212 893571628 /nfs/dbraw/zinc/57/16/28/893571628.db2.gz KSFISYITEBIKGB-SCZZXKLOSA-N 0 3 283.332 -1.717 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001496987788 893572191 /nfs/dbraw/zinc/57/21/91/893572191.db2.gz YWFSHUPYNWDEIT-WPRPVWTQSA-N 0 3 283.332 -2.097 20 0 CAADHN CC(C)(C)c1nc[nH]c1C(=O)NC[C@H](O)CNCC(N)=O ZINC001496979551 893572584 /nfs/dbraw/zinc/57/25/84/893572584.db2.gz SHZHKKUDKPLMNX-MRVPVSSYSA-N 0 3 297.359 -1.127 20 0 CAADHN O=C(CNC[C@H](O)CNC(=O)c1cc[nH]c1)N1CCC1 ZINC001496982167 893572825 /nfs/dbraw/zinc/57/28/25/893572825.db2.gz HRZIORYGLFERAY-NSHDSACASA-N 0 3 280.328 -1.073 20 0 CAADHN O=C(Cn1ncnn1)NC[C@@H](O)CNC/C=C\Cl ZINC001496979666 893572960 /nfs/dbraw/zinc/57/29/60/893572960.db2.gz BIZJZAWGCNFQBM-JQSQLHRZSA-N 0 3 274.712 -1.508 20 0 CAADHN Cn1ccc(CC(=O)NC[C@@H](O)CN[C@H]2CCNC2=O)n1 ZINC001496985523 893573356 /nfs/dbraw/zinc/57/33/56/893573356.db2.gz SEBTXLMTKHTBSI-QWRGUYRKSA-N 0 3 295.343 -2.082 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)Cc1ccn(C)n1 ZINC001496980996 893573490 /nfs/dbraw/zinc/57/34/90/893573490.db2.gz HBUKTMNGMNEXFN-SNVBAGLBSA-N 0 3 283.332 -2.225 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)nn1 ZINC001496980369 893573669 /nfs/dbraw/zinc/57/36/69/893573669.db2.gz NRUQGQNXIAMRDE-DTWKUNHWSA-N 0 3 281.316 -1.661 20 0 CAADHN CC[C@H](NC[C@H](O)CNC(=O)c1cc[nH]c1)C(N)=O ZINC001496986819 893574015 /nfs/dbraw/zinc/57/40/15/893574015.db2.gz XBCCJXOMGGFFQM-UWVGGRQHSA-N 0 3 268.317 -1.041 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)CCc1c[nH]cn1)C(N)=O ZINC001496990211 893574702 /nfs/dbraw/zinc/57/47/02/893574702.db2.gz KSFISYITEBIKGB-PSASIEDQSA-N 0 3 283.332 -1.717 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H](O)CNC/C=C/Cl ZINC001496979665 893574863 /nfs/dbraw/zinc/57/48/63/893574863.db2.gz BIZJZAWGCNFQBM-FHKCNRDCSA-N 0 3 274.712 -1.508 20 0 CAADHN CCCc1n[nH]cc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001497005192 893575604 /nfs/dbraw/zinc/57/56/04/893575604.db2.gz MBJLXGSXCOAKJR-MRVPVSSYSA-N 0 3 283.332 -1.472 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001496999179 893576093 /nfs/dbraw/zinc/57/60/93/893576093.db2.gz SYKSMDOFZLHUKU-JGVFFNPUSA-N 0 3 297.315 -2.666 20 0 CAADHN CCc1cccnc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497005390 893576596 /nfs/dbraw/zinc/57/65/96/893576596.db2.gz NHQSLHQSYMEVAD-JTQLQIEISA-N 0 3 280.328 -1.190 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1(F)CCOCC1)C(N)=O ZINC001496991267 893576958 /nfs/dbraw/zinc/57/69/58/893576958.db2.gz QBZKGSFDQIHWQU-DTWKUNHWSA-N 0 3 291.323 -1.554 20 0 CAADHN CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001497004278 893577562 /nfs/dbraw/zinc/57/75/62/893577562.db2.gz VZUQVDZJZOIITQ-RKDXNWHRSA-N 0 3 284.316 -1.103 20 0 CAADHN CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)c1cnc[n-]c1=O ZINC001497004268 893578166 /nfs/dbraw/zinc/57/81/66/893578166.db2.gz VZUQVDZJZOIITQ-BDAKNGLRSA-N 0 3 284.316 -1.103 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)c1c(C)ncn1C ZINC001496996765 893578610 /nfs/dbraw/zinc/57/86/10/893578610.db2.gz ZMCXBJYSQHRWFQ-ZJUUUORDSA-N 0 3 297.359 -1.457 20 0 CAADHN CC(C)c1nocc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001496991185 893578646 /nfs/dbraw/zinc/57/86/46/893578646.db2.gz PTBKUBQUIASALR-QMMMGPOBSA-N 0 3 284.316 -1.036 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)C(C)(C)C(N)=O)cn1 ZINC001496998562 893578739 /nfs/dbraw/zinc/57/87/39/893578739.db2.gz OQBLIOMBRXCCTL-JTQLQIEISA-N 0 3 297.359 -1.502 20 0 CAADHN CCCNC(=O)CNC[C@H](O)CNC(=O)c1cncn1C ZINC001497008784 893579566 /nfs/dbraw/zinc/57/95/66/893579566.db2.gz MWAARRUOLVXLAB-JTQLQIEISA-N 0 3 297.359 -1.373 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001497021514 893579769 /nfs/dbraw/zinc/57/97/69/893579769.db2.gz SWLDTGKODNUBPF-QFOLPQNPSA-N 0 3 285.344 -1.647 20 0 CAADHN CCCNC(=O)CNC[C@@H](O)CNC(=O)c1cncn1C ZINC001497008785 893580328 /nfs/dbraw/zinc/58/03/28/893580328.db2.gz MWAARRUOLVXLAB-SNVBAGLBSA-N 0 3 297.359 -1.373 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccn(C)c(=O)c1)C(N)=O ZINC001497013150 893580354 /nfs/dbraw/zinc/58/03/54/893580354.db2.gz WDZLCBPCHABWLV-PSASIEDQSA-N 0 3 296.327 -2.061 20 0 CAADHN Cc1nnccc1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001497007804 893580612 /nfs/dbraw/zinc/58/06/12/893580612.db2.gz AIKMTIZBXUBGNF-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cncn1C)C(=O)N(C)C ZINC001497010511 893580640 /nfs/dbraw/zinc/58/06/40/893580640.db2.gz YYZKGIOOEGIUOQ-ZJUUUORDSA-N 0 3 297.359 -1.423 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001497021512 893580729 /nfs/dbraw/zinc/58/07/29/893580729.db2.gz SWLDTGKODNUBPF-MIZYBKAJSA-N 0 3 285.344 -1.647 20 0 CAADHN O=C(CNC[C@@H](O)CNC(=O)c1csnn1)N1CCC1 ZINC001497025330 893580883 /nfs/dbraw/zinc/58/08/83/893580883.db2.gz KSUPAKWDUPGNFQ-MRVPVSSYSA-N 0 3 299.356 -1.549 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccn(C)c(=O)c1)C(N)=O ZINC001497013156 893581055 /nfs/dbraw/zinc/58/10/55/893581055.db2.gz WDZLCBPCHABWLV-WCBMZHEXSA-N 0 3 296.327 -2.061 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001497022197 893581176 /nfs/dbraw/zinc/58/11/76/893581176.db2.gz HPWUVTXGFXCZMS-KBVBSXBZSA-N 0 3 255.318 -1.271 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@]12C[C@H]1CCC2 ZINC001497022199 893581205 /nfs/dbraw/zinc/58/12/05/893581205.db2.gz HPWUVTXGFXCZMS-VDDIYKPWSA-N 0 3 255.318 -1.271 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CCC(F)F ZINC001497018914 893581238 /nfs/dbraw/zinc/58/12/38/893581238.db2.gz DWADVBNRXRGMOJ-ZETCQYMHSA-N 0 3 267.276 -1.156 20 0 CAADHN Cc1nnccc1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001497007805 893581535 /nfs/dbraw/zinc/58/15/35/893581535.db2.gz AIKMTIZBXUBGNF-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1Cc2ccccc2O1 ZINC001497012031 893581682 /nfs/dbraw/zinc/58/16/82/893581682.db2.gz GYTICIZZLJCYSC-ZYHUDNBSSA-N 0 3 293.323 -1.458 20 0 CAADHN CCc1c(C(=O)NC[C@H](O)CNCC(N)=O)cnn1C ZINC001497008640 893581768 /nfs/dbraw/zinc/58/17/68/893581768.db2.gz KFUDEISYQABHER-MRVPVSSYSA-N 0 3 283.332 -1.852 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001497009961 893582098 /nfs/dbraw/zinc/58/20/98/893582098.db2.gz JMCKSLOQIYJYPD-ONGXEEELSA-N 0 3 295.343 -2.003 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cncn1C)C(=O)N(C)C ZINC001497010509 893582226 /nfs/dbraw/zinc/58/22/26/893582226.db2.gz YYZKGIOOEGIUOQ-UWVGGRQHSA-N 0 3 297.359 -1.423 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001497009960 893582464 /nfs/dbraw/zinc/58/24/64/893582464.db2.gz JMCKSLOQIYJYPD-MWLCHTKSSA-N 0 3 295.343 -2.003 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001497033212 893584206 /nfs/dbraw/zinc/58/42/06/893584206.db2.gz JMOLCNBDOJVMGP-SFYZADRCSA-N 0 3 272.305 -3.065 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cn(C)nc1OC ZINC001497033980 893583698 /nfs/dbraw/zinc/58/36/98/893583698.db2.gz VPLSPONIWBRGMM-QMMMGPOBSA-N 0 3 299.331 -2.145 20 0 CAADHN Cc1nc(CNC[C@H](O)CNC(=O)c2cnco2)n[nH]1 ZINC001497030990 893583872 /nfs/dbraw/zinc/58/38/72/893583872.db2.gz WCIPAOQNEQIEIH-QMMMGPOBSA-N 0 3 280.288 -1.018 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](O)CNCC(N)=O)C=CCC1 ZINC001497034873 893584374 /nfs/dbraw/zinc/58/43/74/893584374.db2.gz ZBRHJBVHUFAKMC-JOYOIKCWSA-N 0 3 255.318 -1.105 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1cnco1 ZINC001497029546 893584497 /nfs/dbraw/zinc/58/44/97/893584497.db2.gz NHARLQODTLHYOG-ZETCQYMHSA-N 0 3 256.262 -1.899 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O ZINC001497031440 893584652 /nfs/dbraw/zinc/58/46/52/893584652.db2.gz DFCWIHOZHSQJJO-IUCAKERBSA-N 0 3 283.332 -1.717 20 0 CAADHN Cc1cncc(CC(=O)NC[C@@H](O)CNCC(N)=O)c1 ZINC001497025891 893584679 /nfs/dbraw/zinc/58/46/79/893584679.db2.gz VDIKYJMTRAQAAU-NSHDSACASA-N 0 3 280.328 -1.515 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001497031846 893585198 /nfs/dbraw/zinc/58/51/98/893585198.db2.gz GLXFMGMCWXEVKB-GDPRMGEGSA-N 0 3 269.345 -1.012 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CCn1ccnc1 ZINC001497027391 893585572 /nfs/dbraw/zinc/58/55/72/893585572.db2.gz DUROEBPVZPYSPQ-WDEREUQCSA-N 0 3 297.359 -1.526 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1cnco1 ZINC001497029543 893585921 /nfs/dbraw/zinc/58/59/21/893585921.db2.gz NHARLQODTLHYOG-SSDOTTSWSA-N 0 3 256.262 -1.899 20 0 CAADHN Cc1ccn([C@@H](C)CC(=O)NC[C@H](O)CNCC(N)=O)n1 ZINC001497031733 893586109 /nfs/dbraw/zinc/58/61/09/893586109.db2.gz FBQGLMQJZXCCDH-WDEREUQCSA-N 0 3 297.359 -1.305 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCNC1=O ZINC001497033210 893586232 /nfs/dbraw/zinc/58/62/32/893586232.db2.gz JMOLCNBDOJVMGP-HTQZYQBOSA-N 0 3 272.305 -3.065 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CN1CCNC(=O)C1 ZINC001497032680 893586269 /nfs/dbraw/zinc/58/62/69/893586269.db2.gz LWAQTPZBUXVZPS-MRVPVSSYSA-N 0 3 287.320 -4.030 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CCn1ccnc1 ZINC001497027388 893586336 /nfs/dbraw/zinc/58/63/36/893586336.db2.gz DUROEBPVZPYSPQ-GHMZBOCLSA-N 0 3 297.359 -1.526 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001497031848 893586451 /nfs/dbraw/zinc/58/64/51/893586451.db2.gz GLXFMGMCWXEVKB-LSJOCFKGSA-N 0 3 269.345 -1.012 20 0 CAADHN Cc1nn[n-]c1C(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C ZINC001497034715 893586712 /nfs/dbraw/zinc/58/67/12/893586712.db2.gz YPBZVPUYTPKUEI-SNVBAGLBSA-N 0 3 293.331 -1.273 20 0 CAADHN O=C(NC[C@H](O)CNCCF)c1ccn2nnnc2c1 ZINC001497034244 893587154 /nfs/dbraw/zinc/58/71/54/893587154.db2.gz VUGTVIGGXOADLQ-SECBINFHSA-N 0 3 282.279 -1.226 20 0 CAADHN CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497046157 893588420 /nfs/dbraw/zinc/58/84/20/893588420.db2.gz LGFYUMPBTDZMHX-KXUCPTDWSA-N 0 3 257.334 -1.025 20 0 CAADHN Cn1nccc1CNC[C@@H](O)CNC(=O)C(N)=O ZINC001497046076 893588983 /nfs/dbraw/zinc/58/89/83/893588983.db2.gz HHUCQXBTOHSYOX-MRVPVSSYSA-N 0 3 255.278 -2.528 20 0 CAADHN CC1(C)CC[C@@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001497038424 893589271 /nfs/dbraw/zinc/58/92/71/893589271.db2.gz SPQROJLKSSXRHV-RKDXNWHRSA-N 0 3 257.334 -1.025 20 0 CAADHN Cc1ccoc1CC(=O)NC[C@H](O)CNCC(N)=O ZINC001497045709 893589493 /nfs/dbraw/zinc/58/94/93/893589493.db2.gz HZTPUSJEBDNJLF-SECBINFHSA-N 0 3 269.301 -1.317 20 0 CAADHN CC1(C)CC[C@H]1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497038422 893589609 /nfs/dbraw/zinc/58/96/09/893589609.db2.gz SPQROJLKSSXRHV-IUCAKERBSA-N 0 3 257.334 -1.025 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001497036505 893589788 /nfs/dbraw/zinc/58/97/88/893589788.db2.gz HBKCSKVBURCJGL-UVOCVTCTSA-N 0 3 285.344 -1.791 20 0 CAADHN CC(C)(C(=O)NC[C@H](O)CNCC(N)=O)C(F)F ZINC001497047014 893589960 /nfs/dbraw/zinc/58/99/60/893589960.db2.gz QDBOVEUOUUDKTL-ZCFIWIBFSA-N 0 3 267.276 -1.170 20 0 CAADHN NC(=O)NC(=O)CNC[C@@H](O)CNC(=O)CCCF ZINC001497035732 893590180 /nfs/dbraw/zinc/59/01/80/893590180.db2.gz ZBYJZMSOAFIUGD-SSDOTTSWSA-N 0 3 278.284 -2.002 20 0 CAADHN Cc1ncccc1C(=O)NC[C@H](O)CNCC(N)=O ZINC001497047916 893590216 /nfs/dbraw/zinc/59/02/16/893590216.db2.gz BDUNCUGPWKWQPX-SECBINFHSA-N 0 3 266.301 -1.444 20 0 CAADHN CCc1ncoc1C(=O)NC[C@H](O)CN[C@H](C)C(N)=O ZINC001497044981 893590439 /nfs/dbraw/zinc/59/04/39/893590439.db2.gz DFGTVZFSSQECTL-HTQZYQBOSA-N 0 3 284.316 -1.209 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1csc(=O)[nH]1)C(N)=O ZINC001497036257 893590730 /nfs/dbraw/zinc/59/07/30/893590730.db2.gz FJNKOGURQGNHDE-RITPCOANSA-N 0 3 288.329 -1.597 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)C(N)=O ZINC001497036495 893590965 /nfs/dbraw/zinc/59/09/65/893590965.db2.gz HBKCSKVBURCJGL-FBDQPXRJSA-N 0 3 285.344 -1.791 20 0 CAADHN CCC[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCC(N)=O ZINC001497046158 893590986 /nfs/dbraw/zinc/59/09/86/893590986.db2.gz LGFYUMPBTDZMHX-OPRDCNLKSA-N 0 3 257.334 -1.025 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1=O ZINC001497035776 893591112 /nfs/dbraw/zinc/59/11/12/893591112.db2.gz AXQFMJJLAJEHIV-PREPNJAASA-N 0 3 297.355 -1.824 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001497061442 893592294 /nfs/dbraw/zinc/59/22/94/893592294.db2.gz ANYONVFJTHECJG-QWRGUYRKSA-N 0 3 295.343 -1.853 20 0 CAADHN NC(=O)C(=O)NC[C@@H](O)CNCc1ccccc1F ZINC001497049124 893592730 /nfs/dbraw/zinc/59/27/30/893592730.db2.gz SEJFTTDSUDEGRT-VIFPVBQESA-N 0 3 269.276 -1.122 20 0 CAADHN Cc1ncccc1CNC[C@H](O)CNC(=O)C(N)=O ZINC001497049133 893592768 /nfs/dbraw/zinc/59/27/68/893592768.db2.gz SHPFTURZIFONBI-JTQLQIEISA-N 0 3 266.301 -1.558 20 0 CAADHN Cc1ncccc1CNC[C@@H](O)CNC(=O)C(N)=O ZINC001497049135 893593367 /nfs/dbraw/zinc/59/33/67/893593367.db2.gz SHPFTURZIFONBI-SNVBAGLBSA-N 0 3 266.301 -1.558 20 0 CAADHN Cn1cc(CNC[C@@H](O)CNC(=O)[C@H]2C[C@H]2C(N)=O)cn1 ZINC001497057122 893594034 /nfs/dbraw/zinc/59/40/34/893594034.db2.gz GQCYGHWBZZMEOS-MXWKQRLJSA-N 0 3 295.343 -1.892 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNCC(=O)NC ZINC001497057899 893594172 /nfs/dbraw/zinc/59/41/72/893594172.db2.gz RGTYCNRJOJURJO-VHSXEESVSA-N 0 3 288.348 -2.286 20 0 CAADHN CC(C)(C)CNC(=O)CNC[C@@H](O)CNC(=O)C(N)=O ZINC001497050146 893594516 /nfs/dbraw/zinc/59/45/16/893594516.db2.gz VNTCBHRAHWMHKH-MRVPVSSYSA-N 0 3 288.348 -2.299 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1cccc2c1OCC2 ZINC001497057510 893594646 /nfs/dbraw/zinc/59/46/46/893594646.db2.gz OYNXVRGFTONKSA-SNVBAGLBSA-N 0 3 293.323 -1.213 20 0 CAADHN CC(F)(F)C1(C(=O)NC[C@@H](O)CNCC(N)=O)CC1 ZINC001497058278 893594870 /nfs/dbraw/zinc/59/48/70/893594870.db2.gz OSYIAXXAIYHVDJ-ZETCQYMHSA-N 0 3 279.287 -1.026 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cccc2c1OCC2 ZINC001497057507 893595014 /nfs/dbraw/zinc/59/50/14/893595014.db2.gz OYNXVRGFTONKSA-JTQLQIEISA-N 0 3 293.323 -1.213 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNCC(=O)NC ZINC001497057891 893595072 /nfs/dbraw/zinc/59/50/72/893595072.db2.gz RGTYCNRJOJURJO-NXEZZACHSA-N 0 3 288.348 -2.286 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001497061333 893595273 /nfs/dbraw/zinc/59/52/73/893595273.db2.gz GIQYREYOQFKLEG-UWVGGRQHSA-N 0 3 269.345 -1.011 20 0 CAADHN CS(=O)(=O)CCNC[C@H](O)CNC(=O)[C@@H]1CC12CC2 ZINC001497061250 893595334 /nfs/dbraw/zinc/59/53/34/893595334.db2.gz FYVPCNGEDUJKFM-UWVGGRQHSA-N 0 3 290.385 -1.102 20 0 CAADHN Cc1ccnn1CC(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001497061443 893595396 /nfs/dbraw/zinc/59/53/96/893595396.db2.gz ANYONVFJTHECJG-WDEREUQCSA-N 0 3 295.343 -1.853 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1ccnnc1 ZINC001497064949 893596208 /nfs/dbraw/zinc/59/62/08/893596208.db2.gz YGMQXYMWBKQNJU-JTQLQIEISA-N 0 3 281.316 -1.707 20 0 CAADHN C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497067397 893596427 /nfs/dbraw/zinc/59/64/27/893596427.db2.gz GBXOYFASNAXWEO-WPRPVWTQSA-N 0 3 283.332 -1.860 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001497064268 893596358 /nfs/dbraw/zinc/59/63/58/893596358.db2.gz MYYAKVNRJRWJCZ-JTQLQIEISA-N 0 3 283.332 -1.845 20 0 CAADHN CC[C@H](NC[C@@H](O)CNC(=O)c1nc(C)c[nH]1)C(N)=O ZINC001497067110 893596539 /nfs/dbraw/zinc/59/65/39/893596539.db2.gz DOJHXFXWXPCAMP-BDAKNGLRSA-N 0 3 283.332 -1.338 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)c1nc(C)c[nH]1)C(N)=O ZINC001497067111 893597097 /nfs/dbraw/zinc/59/70/97/893597097.db2.gz DOJHXFXWXPCAMP-DTWKUNHWSA-N 0 3 283.332 -1.338 20 0 CAADHN Cn1cncc1CNC[C@@H](O)CNC(=O)c1cnn(C)n1 ZINC001497070538 893597421 /nfs/dbraw/zinc/59/74/21/893597421.db2.gz ORMOGRWMTVCXNZ-SNVBAGLBSA-N 0 3 293.331 -1.571 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001497064276 893597639 /nfs/dbraw/zinc/59/76/39/893597639.db2.gz MYYAKVNRJRWJCZ-SNVBAGLBSA-N 0 3 283.332 -1.845 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cnon1)C(=O)N(C)C ZINC001497076483 893597676 /nfs/dbraw/zinc/59/76/76/893597676.db2.gz AMODHFXRGDZRFU-YUMQZZPRSA-N 0 3 285.304 -1.773 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCNC1=O)c1cccnn1 ZINC001497077528 893597689 /nfs/dbraw/zinc/59/76/89/893597689.db2.gz FYINNGHLFATOFZ-BDAKNGLRSA-N 0 3 279.300 -1.955 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CN[C@@H]2CCN(C)C2=O)n1 ZINC001497068306 893597743 /nfs/dbraw/zinc/59/77/43/893597743.db2.gz MZHJBUHTXVEEOK-NXEZZACHSA-N 0 3 295.343 -1.371 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cccnn1 ZINC001497077530 893597794 /nfs/dbraw/zinc/59/77/94/893597794.db2.gz FYINNGHLFATOFZ-DTWKUNHWSA-N 0 3 279.300 -1.955 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)c1ccnnc1)C(N)=O ZINC001497064286 893597962 /nfs/dbraw/zinc/59/79/62/893597962.db2.gz SJCFBXVNMFKVQX-VXNVDRBHSA-N 0 3 267.289 -1.969 20 0 CAADHN CN(C)c1cc(C(=O)NC[C@H](O)CNCC(N)=O)ccn1 ZINC001497066433 893598671 /nfs/dbraw/zinc/59/86/71/893598671.db2.gz JUCYKTYFTGYSIB-SNVBAGLBSA-N 0 3 295.343 -1.687 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)c1ccncn1 ZINC001497077085 893598791 /nfs/dbraw/zinc/59/87/91/893598791.db2.gz CRJRYONNBQADHU-SECBINFHSA-N 0 3 281.316 -1.707 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H](O)CN[C@H]2CCN(C)C2=O)n1 ZINC001497068309 893599182 /nfs/dbraw/zinc/59/91/82/893599182.db2.gz MZHJBUHTXVEEOK-ZJUUUORDSA-N 0 3 295.343 -1.371 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1c[nH]cn1 ZINC001497065232 893599228 /nfs/dbraw/zinc/59/92/28/893599228.db2.gz TUIQNDUEJHMXPK-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)c1cnon1 ZINC001497079315 893600767 /nfs/dbraw/zinc/60/07/67/893600767.db2.gz WBDKECRXKXFAAZ-VIFPVBQESA-N 0 3 299.331 -1.383 20 0 CAADHN C[C@H](CC(=O)NC[C@@H](O)CNCC(N)=O)n1cccn1 ZINC001497090849 893600990 /nfs/dbraw/zinc/60/09/90/893600990.db2.gz LSEATYVGYGZULC-ZJUUUORDSA-N 0 3 283.332 -1.614 20 0 CAADHN CCn1cc(C(=O)NC[C@@H](O)CNCC(=O)NC)nn1 ZINC001497079755 893601136 /nfs/dbraw/zinc/60/11/36/893601136.db2.gz CVYGDEWPHASSDT-QMMMGPOBSA-N 0 3 284.320 -2.276 20 0 CAADHN O=C(Cc1ncc[nH]1)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001497082038 893601174 /nfs/dbraw/zinc/60/11/74/893601174.db2.gz VMRCGDAJSQNIBY-JTQLQIEISA-N 0 3 295.343 -1.749 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ncccc1F ZINC001497081385 893601652 /nfs/dbraw/zinc/60/16/52/893601652.db2.gz RRDLIUNHPJHYGY-QMMMGPOBSA-N 0 3 284.291 -1.353 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](O)CNCC(=O)N1CCC1 ZINC001497082509 893601707 /nfs/dbraw/zinc/60/17/07/893601707.db2.gz MGYAUHTVDAFYEU-JTQLQIEISA-N 0 3 296.327 -1.104 20 0 CAADHN Cc1conc1C(=O)NC[C@@H](O)CNCC(=O)NC1CC1 ZINC001497081962 893601862 /nfs/dbraw/zinc/60/18/62/893601862.db2.gz KAXOSTAIQDZOPZ-JTQLQIEISA-N 0 3 296.327 -1.058 20 0 CAADHN CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)Cc1nnc[n-]1 ZINC001497090863 893601910 /nfs/dbraw/zinc/60/19/10/893601910.db2.gz LZIJSFSRMSORMU-VIFPVBQESA-N 0 3 298.347 -2.108 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)c1ncoc1C1CC1 ZINC001497081456 893602078 /nfs/dbraw/zinc/60/20/78/893602078.db2.gz HRNWZGJDDOABTM-VIFPVBQESA-N 0 3 296.327 -1.022 20 0 CAADHN Cc1conc1C(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001497082696 893602144 /nfs/dbraw/zinc/60/21/44/893602144.db2.gz OIKUOQWIKQMOTF-NXEZZACHSA-N 0 3 296.327 -1.058 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001497079814 893602300 /nfs/dbraw/zinc/60/23/00/893602300.db2.gz GASIRIWRPXJHFT-SECBINFHSA-N 0 3 283.332 -1.893 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)c1cnon1 ZINC001497077895 893602514 /nfs/dbraw/zinc/60/25/14/893602514.db2.gz HCSNUKPCSVRQHT-NKWVEPMBSA-N 0 3 271.277 -2.116 20 0 CAADHN C[C@@H](CC(=O)NC[C@@H](O)CNCC(N)=O)n1cccn1 ZINC001497090847 893602584 /nfs/dbraw/zinc/60/25/84/893602584.db2.gz LSEATYVGYGZULC-UWVGGRQHSA-N 0 3 283.332 -1.614 20 0 CAADHN CCN(C)C(=O)CNC[C@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001497080598 893602639 /nfs/dbraw/zinc/60/26/39/893602639.db2.gz NHEUDDDHRATWQX-JTQLQIEISA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)Cn1ccccc1=O)C(N)=O ZINC001497112291 893604248 /nfs/dbraw/zinc/60/42/48/893604248.db2.gz DZPZXZHHONHWHA-ZJUUUORDSA-N 0 3 296.327 -2.211 20 0 CAADHN Cn1nncc1CNC[C@H](O)CNC(=O)Cc1nc[nH]n1 ZINC001497091703 893604674 /nfs/dbraw/zinc/60/46/74/893604674.db2.gz TXHVGTCSEIRHSD-VIFPVBQESA-N 0 3 294.319 -2.257 20 0 CAADHN CC(C)(C)C(=O)NC[C@@H](O)CN[C@@H]1CCC(=O)NC1=O ZINC001497096946 893604787 /nfs/dbraw/zinc/60/47/87/893604787.db2.gz QJZFWEHPQFNFBI-DTWKUNHWSA-N 0 3 285.344 -1.096 20 0 CAADHN COc1ccsc1C(=O)NC[C@@H](O)CNCC(N)=O ZINC001497093665 893605083 /nfs/dbraw/zinc/60/50/83/893605083.db2.gz CZMNURIYNWXIER-ZETCQYMHSA-N 0 3 287.341 -1.078 20 0 CAADHN Cn1cc(CNC[C@H](O)CNC(=O)Cn2cncn2)cn1 ZINC001497113350 893605837 /nfs/dbraw/zinc/60/58/37/893605837.db2.gz ITKYGGZBMKKNAB-NSHDSACASA-N 0 3 293.331 -1.722 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001497120342 893607393 /nfs/dbraw/zinc/60/73/93/893607393.db2.gz YKEJSFKKBXXHIK-YUMQZZPRSA-N 0 3 299.331 -2.722 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)C(N)=O)N(C)C ZINC001497123085 893607753 /nfs/dbraw/zinc/60/77/53/893607753.db2.gz HDFNDAITJYJOBS-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN Cc1cc(C(=O)NC[C@H](O)CNCC(N)=O)nn1C(C)C ZINC001497126687 893607810 /nfs/dbraw/zinc/60/78/10/893607810.db2.gz IPYQVTFIALFNBE-SNVBAGLBSA-N 0 3 297.359 -1.062 20 0 CAADHN C[C@@H](NC[C@@H](O)CNC(=O)Cn1ccnc1)C(N)=O ZINC001497126709 893608080 /nfs/dbraw/zinc/60/80/80/893608080.db2.gz OVKDBZHOEVCBAC-RKDXNWHRSA-N 0 3 269.305 -2.176 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001497119571 893608333 /nfs/dbraw/zinc/60/83/33/893608333.db2.gz VLKNTMXUGLWUCN-WPRPVWTQSA-N 0 3 295.343 -1.933 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)CCNCc1cnnn1C ZINC001497128918 893608685 /nfs/dbraw/zinc/60/86/85/893608685.db2.gz FZWOALLJVMRLRK-VIFPVBQESA-N 0 3 282.348 -1.064 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)Cn1ccnc1 ZINC001497126299 893608639 /nfs/dbraw/zinc/60/86/39/893608639.db2.gz LTJJSHTVVVSVHW-LLVKDONJSA-N 0 3 297.359 -1.572 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)CCc1cn(C)nn1 ZINC001497126156 893608850 /nfs/dbraw/zinc/60/88/50/893608850.db2.gz LJSVAMPNRZOOCY-SNVBAGLBSA-N 0 3 298.347 -2.440 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001497119564 893609172 /nfs/dbraw/zinc/60/91/72/893609172.db2.gz VLKNTMXUGLWUCN-SCZZXKLOSA-N 0 3 295.343 -1.933 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)Cn1ccnc1)C(N)=O ZINC001497126706 893609251 /nfs/dbraw/zinc/60/92/51/893609251.db2.gz OVKDBZHOEVCBAC-DTWKUNHWSA-N 0 3 269.305 -2.176 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001497119559 893609311 /nfs/dbraw/zinc/60/93/11/893609311.db2.gz VLKNTMXUGLWUCN-PSASIEDQSA-N 0 3 295.343 -1.933 20 0 CAADHN CCCN(C)CC(=O)N1CCC[C@H]1CNC(=O)C(N)=O ZINC001497155591 893610612 /nfs/dbraw/zinc/61/06/12/893610612.db2.gz YOJCLBHLFODMSO-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H]1CCN(CC(=O)NC[C@H]2CCCN2C(=O)C(N)=O)C1 ZINC001497172515 893611493 /nfs/dbraw/zinc/61/14/93/893611493.db2.gz MLUAKXLKGBHCKJ-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H](CCNCC(=O)Nc1cnccn1)NC(=O)C(N)=O ZINC001497260469 893613126 /nfs/dbraw/zinc/61/31/26/893613126.db2.gz UVGMAUBSTNUDKL-QMMMGPOBSA-N 0 3 294.315 -1.615 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)c1nnn(C)n1 ZINC001497434945 893615599 /nfs/dbraw/zinc/61/55/99/893615599.db2.gz WCLTVMZAZIDKBD-UHFFFAOYSA-N 0 3 283.336 -1.650 20 0 CAADHN CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)CNC(C)=O ZINC001497340707 893616207 /nfs/dbraw/zinc/61/62/07/893616207.db2.gz HHCCZGMQQRNPEY-SNVBAGLBSA-N 0 3 298.343 -1.634 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@H]1CCCC(=O)N1 ZINC001497407609 893615730 /nfs/dbraw/zinc/61/57/30/893615730.db2.gz CTQLOJURKFFQDB-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCN(CCNCC(=O)NC(=O)NC)C(=O)CCOC ZINC001497339944 893615947 /nfs/dbraw/zinc/61/59/47/893615947.db2.gz XDTBWDQXWMTCMH-UHFFFAOYSA-N 0 3 288.348 -1.083 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)Cn1ncnn1 ZINC001497383126 893616530 /nfs/dbraw/zinc/61/65/30/893616530.db2.gz GEMYHDRIPJLHKH-UHFFFAOYSA-N 0 3 255.282 -2.404 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1CCNC1=O ZINC001497436116 893616614 /nfs/dbraw/zinc/61/66/14/893616614.db2.gz HPACGTUVSLWITR-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)[C@@H]1COCCO1 ZINC001497360352 893616842 /nfs/dbraw/zinc/61/68/42/893616842.db2.gz NYRCRSFNBSBKQI-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)c1cnn(C)c1N ZINC001497377681 893616975 /nfs/dbraw/zinc/61/69/75/893616975.db2.gz XYBDMKAYRRGUBU-UHFFFAOYSA-N 0 3 282.348 -1.200 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)c1nnn(C)n1 ZINC001497434907 893617302 /nfs/dbraw/zinc/61/73/02/893617302.db2.gz UUFSXPNKJXRAQU-VIFPVBQESA-N 0 3 297.363 -1.262 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)CNC(=O)NC ZINC001497396231 893617531 /nfs/dbraw/zinc/61/75/31/893617531.db2.gz AOWYUVFYPVEXLN-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN CCNC(=O)CC(=O)N(CC)CCN[C@H]1CCNC1=O ZINC001497376459 893617792 /nfs/dbraw/zinc/61/77/92/893617792.db2.gz IMJXBIDNJYBIRZ-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001497487005 893618870 /nfs/dbraw/zinc/61/88/70/893618870.db2.gz XKMNDPPKFICRPP-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@@H](NCCN(CC)C(=O)[C@H]1C[C@H]1C(N)=O)C(N)=O ZINC001497456085 893619024 /nfs/dbraw/zinc/61/90/24/893619024.db2.gz URGGKRRZNMWYEP-KXUCPTDWSA-N 0 3 284.360 -1.190 20 0 CAADHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)CCNC(N)=O ZINC001497494035 893619130 /nfs/dbraw/zinc/61/91/30/893619130.db2.gz LGMKDXCCKNZYAW-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@@H]1COCCO1)C(N)=O ZINC001497535849 893619617 /nfs/dbraw/zinc/61/96/17/893619617.db2.gz OPZSOMCYHBMHEN-AQHVTNBVSA-N 0 3 271.317 -1.462 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)c1cccnn1 ZINC001497471616 893619645 /nfs/dbraw/zinc/61/96/45/893619645.db2.gz OMMJGENBTYXKHE-UHFFFAOYSA-N 0 3 294.315 -1.277 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@]1(C)CCNC1=O ZINC001497453065 893620006 /nfs/dbraw/zinc/62/00/06/893620006.db2.gz PITCNCBLDUIHQI-GFCCVEGCSA-N 0 3 270.333 -1.564 20 0 CAADHN CC[C@H](NCCN(CC)C(=O)[C@H]1C[C@H]1C(N)=O)C(N)=O ZINC001497456086 893620104 /nfs/dbraw/zinc/62/01/04/893620104.db2.gz URGGKRRZNMWYEP-UTLUCORTSA-N 0 3 284.360 -1.190 20 0 CAADHN CCN(CCNCC(=O)N(C)C)C(=O)[C@@H]1CCN(C)C1=O ZINC001497438446 893620239 /nfs/dbraw/zinc/62/02/39/893620239.db2.gz AGCUWMALPGNKAE-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN CC(=O)NCC(=O)NC/C=C/CN[C@H](C)C(=O)N(C)C ZINC001497519726 893620367 /nfs/dbraw/zinc/62/03/67/893620367.db2.gz RZBVQIVOIBFZEI-BRAIEQGRSA-N 0 3 284.360 -1.139 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)C1(C(N)=O)CC1 ZINC001497447548 893620447 /nfs/dbraw/zinc/62/04/47/893620447.db2.gz NSLUSWCFRCQOLJ-UHFFFAOYSA-N 0 3 270.333 -1.564 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@H]1COCCO1)C(N)=O ZINC001497535851 893620465 /nfs/dbraw/zinc/62/04/65/893620465.db2.gz OPZSOMCYHBMHEN-MDCNRGEUSA-N 0 3 271.317 -1.462 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1CCNC1=O ZINC001497436119 893620749 /nfs/dbraw/zinc/62/07/49/893620749.db2.gz HPACGTUVSLWITR-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CCNC(N)=O ZINC001497494430 893620837 /nfs/dbraw/zinc/62/08/37/893620837.db2.gz RKPBWRFWHKFEKI-UHFFFAOYSA-N 0 3 259.310 -2.032 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@@H]1COCCO1)C(N)=O ZINC001497535847 893620884 /nfs/dbraw/zinc/62/08/84/893620884.db2.gz OPZSOMCYHBMHEN-ADLDAWLNSA-N 0 3 271.317 -1.462 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001497448465 893621059 /nfs/dbraw/zinc/62/10/59/893621059.db2.gz WYGDVANBBQPIKF-UHFFFAOYSA-N 0 3 269.305 -1.337 20 0 CAADHN Cn1cc(C(=O)NC/C=C/CN[C@H]2CCN(C)C2=O)nn1 ZINC001497575323 893622604 /nfs/dbraw/zinc/62/26/04/893622604.db2.gz IAMTUOVQQJYAKO-FSIBCCDJSA-N 0 3 292.343 -1.079 20 0 CAADHN O=C(CN1CCOCC1)NC/C=C\CN[C@@H]1CCNC1=O ZINC001497563877 893623005 /nfs/dbraw/zinc/62/30/05/893623005.db2.gz UKISDCDPHUJZFA-UDSFMNFJSA-N 0 3 296.371 -1.531 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H](C)NC(N)=O ZINC001497566227 893623212 /nfs/dbraw/zinc/62/32/12/893623212.db2.gz IFAFCHAHUMDNQA-NSVKDGAOSA-N 0 3 285.348 -1.560 20 0 CAADHN O=C(CN1CCOCC1)NC/C=C/CN[C@H]1CCNC1=O ZINC001497563875 893623059 /nfs/dbraw/zinc/62/30/59/893623059.db2.gz UKISDCDPHUJZFA-ISUDXETCSA-N 0 3 296.371 -1.531 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@H](C)NC(N)=O)C(=O)N(C)C ZINC001497572061 893623938 /nfs/dbraw/zinc/62/39/38/893623938.db2.gz JJQQBZBSNUYATR-QEBMPYFUSA-N 0 3 299.375 -1.218 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C\CNC(=O)[C@H](C)NC(N)=O ZINC001497566225 893624000 /nfs/dbraw/zinc/62/40/00/893624000.db2.gz IFAFCHAHUMDNQA-KHTCFXRASA-N 0 3 285.348 -1.560 20 0 CAADHN CNC(=O)NCCC(=O)NC/C=C/CN[C@H](C)C(N)=O ZINC001497576976 893624097 /nfs/dbraw/zinc/62/40/97/893624097.db2.gz XVBGBCWRAUBNTA-CDAZIORVSA-N 0 3 285.348 -1.559 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@H]1COCCO1)C(N)=O ZINC001497535852 893624796 /nfs/dbraw/zinc/62/47/96/893624796.db2.gz OPZSOMCYHBMHEN-YLBDSCSXSA-N 0 3 271.317 -1.462 20 0 CAADHN CNC(=O)NCCC(=O)NC/C=C\CN[C@H](C)C(N)=O ZINC001497576979 893624975 /nfs/dbraw/zinc/62/49/75/893624975.db2.gz XVBGBCWRAUBNTA-ZBJFTSOASA-N 0 3 285.348 -1.559 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)[C@H](C)NC(N)=O)C(=O)N(C)C ZINC001497572058 893625113 /nfs/dbraw/zinc/62/51/13/893625113.db2.gz JJQQBZBSNUYATR-FQNVXPIYSA-N 0 3 299.375 -1.218 20 0 CAADHN CCC(=O)NCC(=O)NC/C=C\CN[C@H](C)C(=O)NC ZINC001497550116 893625196 /nfs/dbraw/zinc/62/51/96/893625196.db2.gz XTDHLEVBRGXELP-WWQCOOJYSA-N 0 3 284.360 -1.091 20 0 CAADHN Cc1cncn1CC(=O)NC/C=C\CNCC(N)=O ZINC001497633272 893626608 /nfs/dbraw/zinc/62/66/08/893626608.db2.gz PPUMMMSLEMBIFE-IHWYPQMZSA-N 0 3 265.317 -1.061 20 0 CAADHN NC(=O)C(=O)NC/C=C/CN[C@H]1CCCNC1=O ZINC001497666606 893627563 /nfs/dbraw/zinc/62/75/63/893627563.db2.gz BDBYYCXOCDUTDI-CMLYIYFCSA-N 0 3 254.290 -1.988 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1CCCNC1=O ZINC001497599170 893627581 /nfs/dbraw/zinc/62/75/81/893627581.db2.gz AOSFWQIRWBNAGZ-SEUFLZDSSA-N 0 3 296.371 -1.091 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NC/C=C/CNC(=O)C(N)=O ZINC001497668972 893627958 /nfs/dbraw/zinc/62/79/58/893627958.db2.gz JVMVALODGYJBRT-YEZKRMTDSA-N 0 3 284.360 -1.106 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)[C@@H]1CCNC1=O)C(N)=O ZINC001497649301 893628154 /nfs/dbraw/zinc/62/81/54/893628154.db2.gz HVENNLWEUGZWBD-KAAOYLEMSA-N 0 3 268.317 -1.742 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)CN1CCCNC1=O)C(N)=O ZINC001497622892 893628295 /nfs/dbraw/zinc/62/82/95/893628295.db2.gz HOKBRKPNYSOEGJ-VMZHVLLKSA-N 0 3 297.359 -1.463 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NC/C=C\CNC(=O)C(N)=O ZINC001497668970 893628324 /nfs/dbraw/zinc/62/83/24/893628324.db2.gz JVMVALODGYJBRT-UMCURTJPSA-N 0 3 284.360 -1.106 20 0 CAADHN COC[C@@H](C)NC(=O)NC(=O)CNC[C@@H](C)NC(C)=O ZINC001497779462 893630071 /nfs/dbraw/zinc/63/00/71/893630071.db2.gz JWGLFUINSLLMTF-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001497776703 893630838 /nfs/dbraw/zinc/63/08/38/893630838.db2.gz VCIDFNBMCSOEGM-VXNVDRBHSA-N 0 3 284.316 -1.978 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)CCn1cnnn1)C(N)=O ZINC001497714676 893630862 /nfs/dbraw/zinc/63/08/62/893630862.db2.gz PEVRSGBSQTWAAV-GKQMSVHHSA-N 0 3 281.320 -1.801 20 0 CAADHN COC[C@H](C)NC(=O)NC(=O)CNC[C@@H](C)NC(C)=O ZINC001497779460 893631472 /nfs/dbraw/zinc/63/14/72/893631472.db2.gz JWGLFUINSLLMTF-BDAKNGLRSA-N 0 3 288.348 -1.039 20 0 CAADHN CC(=O)NCC(=O)N[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001497776702 893631656 /nfs/dbraw/zinc/63/16/56/893631656.db2.gz VCIDFNBMCSOEGM-APPZFPTMSA-N 0 3 284.316 -1.978 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)c1cnn(C)c1 ZINC001497787891 893633375 /nfs/dbraw/zinc/63/33/75/893633375.db2.gz GMGWMZSKUNWWSI-MRVPVSSYSA-N 0 3 293.331 -1.250 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@H](C)CNCC(N)=O)C1 ZINC001497809267 893633458 /nfs/dbraw/zinc/63/34/58/893633458.db2.gz GSXMRXRNNHRVSX-SSDOTTSWSA-N 0 3 256.306 -1.956 20 0 CAADHN C[C@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1cnnn1C ZINC001497811257 893633473 /nfs/dbraw/zinc/63/34/73/893633473.db2.gz MJHDHUJGDYXFHN-BDAKNGLRSA-N 0 3 282.348 -1.000 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)c1cnn(C)c1N)C(N)=O ZINC001497805532 893633539 /nfs/dbraw/zinc/63/35/39/893633539.db2.gz QQEBEIIXZOBVPV-VXNVDRBHSA-N 0 3 282.348 -1.026 20 0 CAADHN C[C@H](CNCCNS(C)(=O)=O)NC(=O)c1ccn[nH]1 ZINC001497791665 893633558 /nfs/dbraw/zinc/63/35/58/893633558.db2.gz KFXXNRVRISXBBY-MRVPVSSYSA-N 0 3 289.361 -1.333 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)CNC(=O)OC ZINC001497792690 893633628 /nfs/dbraw/zinc/63/36/28/893633628.db2.gz IDPRNSOZQQOKLM-SECBINFHSA-N 0 3 288.348 -1.085 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)c1n[nH]cc1C ZINC001497813864 893633666 /nfs/dbraw/zinc/63/36/66/893633666.db2.gz GCJDTHNIXYBQDM-MRVPVSSYSA-N 0 3 296.331 -1.118 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1 ZINC001497804598 893633870 /nfs/dbraw/zinc/63/38/70/893633870.db2.gz LTSCFHBXCDAEOU-HTQZYQBOSA-N 0 3 256.306 -1.895 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CNC(=O)C1CC1)C(N)=O ZINC001497793524 893634030 /nfs/dbraw/zinc/63/40/30/893634030.db2.gz ZZEFZYZDSKWTSN-PSASIEDQSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC001497798710 893634384 /nfs/dbraw/zinc/63/43/84/893634384.db2.gz GBEBXLMSSOGFPH-GHMZBOCLSA-N 0 3 286.376 -1.501 20 0 CAADHN CCn1cc(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)cn1 ZINC001497797898 893634404 /nfs/dbraw/zinc/63/44/04/893634404.db2.gz KUXNWHDVLVEHIR-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)Cn1cccn1 ZINC001497788562 893634779 /nfs/dbraw/zinc/63/47/79/893634779.db2.gz JDMDCIUROIYKGQ-RKDXNWHRSA-N 0 3 253.306 -1.149 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@H]1CCOC1 ZINC001497795029 893634857 /nfs/dbraw/zinc/63/48/57/893634857.db2.gz QLXLEPCCNUYSTK-BDAKNGLRSA-N 0 3 283.332 -1.261 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)Cc1ccon1 ZINC001497799949 893634976 /nfs/dbraw/zinc/63/49/76/893634976.db2.gz WHHORPLHQOHCBY-MRVPVSSYSA-N 0 3 294.315 -1.067 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1cnsn1 ZINC001497793414 893635195 /nfs/dbraw/zinc/63/51/95/893635195.db2.gz YQBAZGAUFZORAV-RXMQYKEDSA-N 0 3 286.317 -1.559 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)CS(C)(=O)=O ZINC001497794130 893635237 /nfs/dbraw/zinc/63/52/37/893635237.db2.gz BCZUXCMWIFYPOI-SFYZADRCSA-N 0 3 277.346 -1.986 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cnsn1 ZINC001497793364 893635308 /nfs/dbraw/zinc/63/53/08/893635308.db2.gz XGMNTVCDQXXKBH-ZCFIWIBFSA-N 0 3 257.319 -1.008 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cn(C)nn1 ZINC001497811077 893635353 /nfs/dbraw/zinc/63/53/53/893635353.db2.gz ODDQOBKTIUIGTH-HTQZYQBOSA-N 0 3 294.315 -1.672 20 0 CAADHN Cc1ncncc1C(=O)N[C@H](C)CNCC(N)=O ZINC001497792986 893635889 /nfs/dbraw/zinc/63/58/89/893635889.db2.gz PKKTWZFSFPYEHD-SSDOTTSWSA-N 0 3 251.290 -1.022 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ccnn1C ZINC001497794063 893635896 /nfs/dbraw/zinc/63/58/96/893635896.db2.gz DWBUYYQIHGDEKL-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)[C@H](C)NC(N)=O ZINC001497809129 893635948 /nfs/dbraw/zinc/63/59/48/893635948.db2.gz AKOAMBHDUQBYNI-HRDYMLBCSA-N 0 3 285.348 -1.584 20 0 CAADHN C[C@H](CNCC(=O)NC1CC1)NC(=O)Cn1cnnn1 ZINC001497784819 893635953 /nfs/dbraw/zinc/63/59/53/893635953.db2.gz KEAMRPQLDNDKFJ-MRVPVSSYSA-N 0 3 281.320 -1.954 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)CNC(=O)OC ZINC001497792552 893635970 /nfs/dbraw/zinc/63/59/70/893635970.db2.gz BHKGDLNWSDRCLW-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cnn(C)c1 ZINC001497787901 893635978 /nfs/dbraw/zinc/63/59/78/893635978.db2.gz HCOFATXMMMFJKX-PSASIEDQSA-N 0 3 293.327 -1.067 20 0 CAADHN CCC(=O)NCC(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001497797395 893636141 /nfs/dbraw/zinc/63/61/41/893636141.db2.gz CRRHJQLMYNZFBO-MRVPVSSYSA-N 0 3 298.347 -1.771 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)Cn1cnnn1 ZINC001497785210 893635996 /nfs/dbraw/zinc/63/59/96/893635996.db2.gz NRPQJUBJDDOEGV-SFYZADRCSA-N 0 3 267.293 -2.344 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001497809549 893636039 /nfs/dbraw/zinc/63/60/39/893636039.db2.gz QNGQLSDTSXONLU-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)[C@@H]1CCOC1 ZINC001497795030 893636170 /nfs/dbraw/zinc/63/61/70/893636170.db2.gz QLXLEPCCNUYSTK-RKDXNWHRSA-N 0 3 283.332 -1.261 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@H](C)CNCc1nc(=O)n(C)[nH]1 ZINC001497786804 893636193 /nfs/dbraw/zinc/63/61/93/893636193.db2.gz PHJMKVPBADOWLB-HTQZYQBOSA-N 0 3 298.347 -1.773 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@H]1CCN(C)C1=O ZINC001497834763 893637299 /nfs/dbraw/zinc/63/72/99/893637299.db2.gz RETFFAMTSJHVEQ-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCCNC1=O ZINC001497834148 893638019 /nfs/dbraw/zinc/63/80/19/893638019.db2.gz ZBKOIMCICZKKTQ-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001497843684 893638039 /nfs/dbraw/zinc/63/80/39/893638039.db2.gz WOWYPUUEZDCTTJ-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN Cc1cnn(C)c1C(=O)N[C@H](C)CNCC(N)=O ZINC001497883235 893638140 /nfs/dbraw/zinc/63/81/40/893638140.db2.gz IPWYMEZMPYTDAS-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CN1CCCCC1=O ZINC001497846300 893638227 /nfs/dbraw/zinc/63/82/27/893638227.db2.gz XRDIKCPZVRRMKZ-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)CN1CCCNC1=O)C(N)=O ZINC001497846237 893638428 /nfs/dbraw/zinc/63/84/28/893638428.db2.gz WLEPAUUIJKUOIQ-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001497834764 893638781 /nfs/dbraw/zinc/63/87/81/893638781.db2.gz RETFFAMTSJHVEQ-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCC(=O)N1C ZINC001497884065 893638851 /nfs/dbraw/zinc/63/88/51/893638851.db2.gz RXNXAFAIGGHCTN-ZJUUUORDSA-N 0 3 284.360 -1.210 20 0 CAADHN CCN(CC)C(=O)CNC[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001497884234 893638987 /nfs/dbraw/zinc/63/89/87/893638987.db2.gz UBTHZOQEBBVMSJ-SECBINFHSA-N 0 3 297.363 -1.214 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001497844536 893639042 /nfs/dbraw/zinc/63/90/42/893639042.db2.gz DHPDMONJHKSGMD-SFYZADRCSA-N 0 3 297.315 -2.083 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)Cn1ncn(C)c1=O ZINC001497842928 893639056 /nfs/dbraw/zinc/63/90/56/893639056.db2.gz XSFFWMLNBBHBFL-BDAKNGLRSA-N 0 3 296.331 -2.435 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CC1CS(=O)(=O)C1 ZINC001497838693 893639105 /nfs/dbraw/zinc/63/91/05/893639105.db2.gz DDXVMFOZGDLHJV-MRVPVSSYSA-N 0 3 291.373 -1.739 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCc2nncn2CC1 ZINC001497861737 893639128 /nfs/dbraw/zinc/63/91/28/893639128.db2.gz MTPVHUFBHYJKAE-ZJUUUORDSA-N 0 3 294.359 -1.190 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001497824875 893639189 /nfs/dbraw/zinc/63/91/89/893639189.db2.gz BAPFJGLCDPZLAG-RKDXNWHRSA-N 0 3 298.343 -1.636 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@@H](C)NC(N)=O ZINC001497816639 893639225 /nfs/dbraw/zinc/63/92/25/893639225.db2.gz XKTILZGDFURAMJ-RNFRBKRXSA-N 0 3 259.310 -1.987 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCC2N=NC(=O)N2C1 ZINC001497841117 893639239 /nfs/dbraw/zinc/63/92/39/893639239.db2.gz SRPVQOMFQWNPDQ-SFYZADRCSA-N 0 3 296.331 -1.874 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001497843260 893639375 /nfs/dbraw/zinc/63/93/75/893639375.db2.gz KKJXUNWLGPATQX-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN COCC1(C(=O)N[C@H](C)CNCC(=O)NC(N)=O)CC1 ZINC001497853391 893639778 /nfs/dbraw/zinc/63/97/78/893639778.db2.gz KKQXTNHODWHLTQ-MRVPVSSYSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C2CCC2)C1=O)NC(=O)C(N)=O ZINC001497895794 893640846 /nfs/dbraw/zinc/64/08/46/893640846.db2.gz DVRRWYDJKZEAGA-PSASIEDQSA-N 0 3 282.344 -1.281 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C(C)(C)S(C)(=O)=O ZINC001497929357 893641296 /nfs/dbraw/zinc/64/12/96/893641296.db2.gz XHSCZLHUFUXENV-MRVPVSSYSA-N 0 3 293.389 -1.350 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cnn(C)n1 ZINC001497940496 893641714 /nfs/dbraw/zinc/64/17/14/893641714.db2.gz TYTXBGMFJMLLNO-RNFRBKRXSA-N 0 3 254.294 -1.603 20 0 CAADHN CC[C@H](NC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001497885086 893641996 /nfs/dbraw/zinc/64/19/96/893641996.db2.gz ISPUECZVRFZHON-KXUCPTDWSA-N 0 3 284.360 -1.035 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1 ZINC001497894120 893642211 /nfs/dbraw/zinc/64/22/11/893642211.db2.gz DTXJKHBROHBWEG-SFYZADRCSA-N 0 3 271.321 -2.102 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cccc(=O)n1C ZINC001497905841 893642431 /nfs/dbraw/zinc/64/24/31/893642431.db2.gz GBGUICBFQIMKQI-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN C[C@H](CN[C@H]1CCCNC1=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001497885364 893642446 /nfs/dbraw/zinc/64/24/46/893642446.db2.gz QBXRTQDQAUISBU-OUAUKWLOSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001497902748 893642502 /nfs/dbraw/zinc/64/25/02/893642502.db2.gz RAHRWGPDSAWDLI-ZDMBXUJBSA-N 0 3 284.360 -1.116 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001497894119 893642532 /nfs/dbraw/zinc/64/25/32/893642532.db2.gz DTXJKHBROHBWEG-HTQZYQBOSA-N 0 3 271.321 -2.102 20 0 CAADHN CN(C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)C(N)=O ZINC001497923993 893642625 /nfs/dbraw/zinc/64/26/25/893642625.db2.gz ZUSBCUUOMFHKHU-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1CNC(=O)N1 ZINC001497894509 893642680 /nfs/dbraw/zinc/64/26/80/893642680.db2.gz KBYDVHSBNIBDKW-PSASIEDQSA-N 0 3 297.359 -1.712 20 0 CAADHN C[C@H](CN[C@@H]1CCN(C(C)(C)C)C1=O)NC(=O)C(N)=O ZINC001497896164 893642743 /nfs/dbraw/zinc/64/27/43/893642743.db2.gz SXOCWIROISPCCS-RKDXNWHRSA-N 0 3 284.360 -1.035 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1ncccn1 ZINC001497945286 893643028 /nfs/dbraw/zinc/64/30/28/893643028.db2.gz JADBLAZTEVUQHV-MRVPVSSYSA-N 0 3 251.290 -1.070 20 0 CAADHN C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001497894510 893643063 /nfs/dbraw/zinc/64/30/63/893643063.db2.gz KBYDVHSBNIBDKW-SCZZXKLOSA-N 0 3 297.359 -1.712 20 0 CAADHN CC[C@@H](NC[C@@H](C)NC(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001497885087 893643212 /nfs/dbraw/zinc/64/32/12/893643212.db2.gz ISPUECZVRFZHON-OPRDCNLKSA-N 0 3 284.360 -1.035 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)C1CC(=O)NC(=O)C1 ZINC001497940767 893643317 /nfs/dbraw/zinc/64/33/17/893643317.db2.gz WOBFRRYCTJQWQU-SSDOTTSWSA-N 0 3 284.316 -2.121 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](C)CN[C@H]2CCCNC2=O)CC1 ZINC001497940777 893643330 /nfs/dbraw/zinc/64/33/30/893643330.db2.gz XEUHSDYJQSCKOY-ZJUUUORDSA-N 0 3 296.371 -1.115 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CN[C@H]1CCCNC1=O ZINC001498020985 893644537 /nfs/dbraw/zinc/64/45/37/893644537.db2.gz ASCANUYSXNTKCV-UWVGGRQHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H](C)COC ZINC001498022358 893644705 /nfs/dbraw/zinc/64/47/05/893644705.db2.gz TWHIHXCQOFWOFC-BDAKNGLRSA-N 0 3 288.348 -1.181 20 0 CAADHN CCNC(=O)CCC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001498021822 893644756 /nfs/dbraw/zinc/64/47/56/893644756.db2.gz RGJYHWLMRIJBIU-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN C[C@@H](CNCc1ccnn1C)NC(=O)Cn1cnnn1 ZINC001498010559 893644797 /nfs/dbraw/zinc/64/47/97/893644797.db2.gz NFZWKWDOWHTFNI-VIFPVBQESA-N 0 3 278.320 -1.299 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001497981718 893644820 /nfs/dbraw/zinc/64/48/20/893644820.db2.gz RXHOKJHVTCNLBZ-SECBINFHSA-N 0 3 286.376 -1.011 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@@H]1CCCCN(C)C1=O ZINC001497959071 893644911 /nfs/dbraw/zinc/64/49/11/893644911.db2.gz OWBIGRYGXDKJLG-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C1=COCCO1 ZINC001498009156 893645080 /nfs/dbraw/zinc/64/50/80/893645080.db2.gz ORHDUURCWPJKKO-DTWKUNHWSA-N 0 3 269.301 -1.143 20 0 CAADHN C[C@H](C[NH2+][C@@H]1CCNC1=O)NC(=O)Cc1nnc[n-]1 ZINC001497959990 893646043 /nfs/dbraw/zinc/64/60/43/893646043.db2.gz DTZUBVYQVKQQJB-HTQZYQBOSA-N 0 3 266.305 -1.670 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)CN1CCCC1=O ZINC001498010815 893646355 /nfs/dbraw/zinc/64/63/55/893646355.db2.gz TZDLXYGWORKMER-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)CN(C)C(C)=O)C(N)=O ZINC001498015030 893646761 /nfs/dbraw/zinc/64/67/61/893646761.db2.gz CUMDFTLVVWHSLU-WPRPVWTQSA-N 0 3 272.349 -1.177 20 0 CAADHN Cc1cnc(C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)cn1 ZINC001498009315 893646996 /nfs/dbraw/zinc/64/69/96/893646996.db2.gz QYRJWYPEMVQYBG-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)COC ZINC001498002884 893647060 /nfs/dbraw/zinc/64/70/60/893647060.db2.gz RESPAFYXPSXMSD-YUMQZZPRSA-N 0 3 274.321 -1.429 20 0 CAADHN C[C@H](C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)n1cccn1 ZINC001498015498 893647130 /nfs/dbraw/zinc/64/71/30/893647130.db2.gz JKNRVSPJKVMZDO-DTWKUNHWSA-N 0 3 296.331 -1.267 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1ccn[nH]1 ZINC001498016317 893647166 /nfs/dbraw/zinc/64/71/66/893647166.db2.gz VZEVVTQAAWOPEL-YUMQZZPRSA-N 0 3 279.300 -1.077 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001497967644 893647182 /nfs/dbraw/zinc/64/71/82/893647182.db2.gz WHEGZRZGZJFRAQ-VGMNWLOBSA-N 0 3 296.327 -1.836 20 0 CAADHN C[C@@H](CNCCF)NC(=O)CN(C)S(C)(=O)=O ZINC001498046218 893648331 /nfs/dbraw/zinc/64/83/31/893648331.db2.gz HEEFTPLOAGOZLB-QMMMGPOBSA-N 0 3 269.342 -1.058 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)c1cn(C)nn1 ZINC001498038638 893648361 /nfs/dbraw/zinc/64/83/61/893648361.db2.gz CFYLWBVGZCOTIW-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC001498025419 893648412 /nfs/dbraw/zinc/64/84/12/893648412.db2.gz GBEBXLMSSOGFPH-WDEREUQCSA-N 0 3 286.376 -1.501 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)Cn1ncnn1)C(N)=O ZINC001498043285 893648463 /nfs/dbraw/zinc/64/84/63/893648463.db2.gz HXTHWSNOTVVUAM-NKWVEPMBSA-N 0 3 255.282 -2.359 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001498035159 893648865 /nfs/dbraw/zinc/64/88/65/893648865.db2.gz WFCFLISLRHXVFW-BQBZGAKWSA-N 0 3 259.310 -2.117 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CN[C@@H](C)C(N)=O ZINC001498022961 893648960 /nfs/dbraw/zinc/64/89/60/893648960.db2.gz CNEVKDKQIDTFFQ-YUMQZZPRSA-N 0 3 258.322 -1.519 20 0 CAADHN CCN(CC)C(=O)CNC[C@H](C)NC(=O)Cn1ncnn1 ZINC001498043619 893649092 /nfs/dbraw/zinc/64/90/92/893649092.db2.gz NDADLXZDHFARAH-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1COC(=O)N1 ZINC001498039035 893649226 /nfs/dbraw/zinc/64/92/26/893649226.db2.gz ZCJOLSGZLUUACG-NKWVEPMBSA-N 0 3 258.278 -2.065 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)c1ncn(C)n1)C(N)=O ZINC001498039187 893649239 /nfs/dbraw/zinc/64/92/39/893649239.db2.gz PEXMRDKAMQFSMN-JGVFFNPUSA-N 0 3 268.321 -1.213 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cncnc1 ZINC001498034248 893649438 /nfs/dbraw/zinc/64/94/38/893649438.db2.gz UXYHBGLUKZEWDR-WPRPVWTQSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@@H](CNCC(=O)NCC(F)(F)F)NC(=O)CC(N)=O ZINC001498025639 893649681 /nfs/dbraw/zinc/64/96/81/893649681.db2.gz BMURQRZLSFEAAS-LURJTMIESA-N 0 3 298.265 -1.365 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC ZINC001498023976 893649725 /nfs/dbraw/zinc/64/97/25/893649725.db2.gz WOVZEZBSJRXDLO-IUCAKERBSA-N 0 3 272.349 -1.259 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H]1COC(=O)N1 ZINC001498039034 893649768 /nfs/dbraw/zinc/64/97/68/893649768.db2.gz ZCJOLSGZLUUACG-BQBZGAKWSA-N 0 3 258.278 -2.065 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)c1cnn(C)c1N ZINC001498034149 893649800 /nfs/dbraw/zinc/64/98/00/893649800.db2.gz QCWNOBYJENJKAY-QMMMGPOBSA-N 0 3 294.359 -1.011 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H](C)CNCCF ZINC001498062052 893650883 /nfs/dbraw/zinc/65/08/83/893650883.db2.gz WVTBKWCMNCYZPP-QMMMGPOBSA-N 0 3 276.312 -1.698 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001498057413 893651340 /nfs/dbraw/zinc/65/13/40/893651340.db2.gz RETFFAMTSJHVEQ-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C[C@@H]1CCNC1=O ZINC001498050284 893651605 /nfs/dbraw/zinc/65/16/05/893651605.db2.gz BPOCFQJETPHYGK-YUMQZZPRSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)COCc1nccn1C ZINC001498057057 893651738 /nfs/dbraw/zinc/65/17/38/893651738.db2.gz IWFCLRYFGSSNKF-JTQLQIEISA-N 0 3 297.359 -1.223 20 0 CAADHN C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1CCCNC1=O ZINC001498056161 893652111 /nfs/dbraw/zinc/65/21/11/893652111.db2.gz MDQVGARQZFFJJO-GXSJLCMTSA-N 0 3 296.371 -1.115 20 0 CAADHN CC(=O)NCC(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001498081951 893652177 /nfs/dbraw/zinc/65/21/77/893652177.db2.gz IDVZNMGWXPAPAY-UHFFFAOYSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cn[nH]c(=O)c1 ZINC001498055744 893652431 /nfs/dbraw/zinc/65/24/31/893652431.db2.gz GKYKGAZJNXLQET-IONNQARKSA-N 0 3 279.300 -1.221 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)[C@@H]1CCNC1=O ZINC001498087051 893652525 /nfs/dbraw/zinc/65/25/25/893652525.db2.gz KPYNSLGOTJBHNK-DTWKUNHWSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1cn(C)ccc1=O)C(N)=O ZINC001498071528 893652542 /nfs/dbraw/zinc/65/25/42/893652542.db2.gz NDISCUMLLFHCRV-DTWKUNHWSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)[C@H]1CCc2nncn2CC1 ZINC001498073546 893652590 /nfs/dbraw/zinc/65/25/90/893652590.db2.gz MTPVHUFBHYJKAE-UWVGGRQHSA-N 0 3 294.359 -1.190 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1ccn(C)c(=O)c1 ZINC001498060455 893652597 /nfs/dbraw/zinc/65/25/97/893652597.db2.gz SQBJRJLJYJNMKH-QMMMGPOBSA-N 0 3 266.301 -1.422 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1cn(C)ccc1=O ZINC001498071529 893652624 /nfs/dbraw/zinc/65/26/24/893652624.db2.gz NDISCUMLLFHCRV-IUCAKERBSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@@H]1C[C@H]1C ZINC001498086323 893652640 /nfs/dbraw/zinc/65/26/40/893652640.db2.gz AZPWOTKJVNAOTJ-GJMOJQLCSA-N 0 3 256.306 -1.068 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1cn[nH]c(=O)c1 ZINC001498055742 893652783 /nfs/dbraw/zinc/65/27/83/893652783.db2.gz GKYKGAZJNXLQET-CBAPKCEASA-N 0 3 279.300 -1.221 20 0 CAADHN C[C@@H](CNCCN1CCCS1(=O)=O)NC(=O)C(N)=O ZINC001498102220 893653379 /nfs/dbraw/zinc/65/33/79/893653379.db2.gz YVBYOWVRBMCBTN-QMMMGPOBSA-N 0 3 292.361 -2.399 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCC(=O)N1C ZINC001498100978 893653739 /nfs/dbraw/zinc/65/37/39/893653739.db2.gz WJKMDAOJWGGCCG-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1CCNC1=O ZINC001498088249 893653837 /nfs/dbraw/zinc/65/38/37/893653837.db2.gz YCCFCKNIDQIFCL-GXSJLCMTSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CCN(C)C1=O ZINC001498090645 893654695 /nfs/dbraw/zinc/65/46/95/893654695.db2.gz ITMCBBUWUROTHE-JGVFFNPUSA-N 0 3 299.331 -2.246 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001498106637 893654848 /nfs/dbraw/zinc/65/48/48/893654848.db2.gz RAHRWGPDSAWDLI-RVBZMBCESA-N 0 3 284.360 -1.116 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001498098089 893654904 /nfs/dbraw/zinc/65/49/04/893654904.db2.gz GZQMKQXUOMBROG-VHSXEESVSA-N 0 3 299.375 -1.371 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)N(C)C)NC(=O)c1c[nH]c(=O)cn1 ZINC001498096527 893655235 /nfs/dbraw/zinc/65/52/35/893655235.db2.gz NKSGJHPZDQBKOF-IUCAKERBSA-N 0 3 295.343 -1.046 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)c1c[nH]c(=O)cn1)C(=O)N(C)C ZINC001498096524 893655642 /nfs/dbraw/zinc/65/56/42/893655642.db2.gz NKSGJHPZDQBKOF-DTWKUNHWSA-N 0 3 295.343 -1.046 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001498118276 893657971 /nfs/dbraw/zinc/65/79/71/893657971.db2.gz QJWREJOHTLJPER-IONNQARKSA-N 0 3 293.327 -1.290 20 0 CAADHN CC[C@@H](NC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(N)=O ZINC001498167142 893659513 /nfs/dbraw/zinc/65/95/13/893659513.db2.gz OGXKHNHKGSPJTE-YIZRAAEISA-N 0 3 270.333 -1.377 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCCCN1C(N)=O ZINC001498159263 893660040 /nfs/dbraw/zinc/66/00/40/893660040.db2.gz UFTXTRNRNPVCPM-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CCN1CCOCC1 ZINC001498142197 893660140 /nfs/dbraw/zinc/66/01/40/893660140.db2.gz CMSSFPTVNRZQRY-QWRGUYRKSA-N 0 3 286.376 -1.323 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCn1cnccc1=O ZINC001498150449 893660439 /nfs/dbraw/zinc/66/04/39/893660439.db2.gz CJSOIZQMCJOBTH-JTQLQIEISA-N 0 3 295.343 -1.526 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)C(=O)NCC1CC1 ZINC001498148126 893660478 /nfs/dbraw/zinc/66/04/78/893660478.db2.gz NCJAGQYZSJJDLC-YUMQZZPRSA-N 0 3 270.333 -1.519 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1cc(C(N)=O)c[nH]1 ZINC001498148381 893660716 /nfs/dbraw/zinc/66/07/16/893660716.db2.gz QICIREAFJYTRCE-QMMMGPOBSA-N 0 3 295.343 -1.042 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)CCn1cnnn1 ZINC001498146203 893660929 /nfs/dbraw/zinc/66/09/29/893660929.db2.gz MKLLERKBRJDEKL-QMMMGPOBSA-N 0 3 269.309 -2.097 20 0 CAADHN CCn1cc(C(=O)N[C@@H](C)CN[C@@H](C)C(N)=O)nn1 ZINC001498150353 893661012 /nfs/dbraw/zinc/66/10/12/893661012.db2.gz AGBTWKUTEKEIEY-YUMQZZPRSA-N 0 3 268.321 -1.120 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)Cc1ncc[nH]1 ZINC001498148921 893661056 /nfs/dbraw/zinc/66/10/56/893661056.db2.gz XJWHOQSLSPWDEO-YUMQZZPRSA-N 0 3 253.306 -1.080 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)c1cnn(C)n1)C(N)=O ZINC001498140577 893661283 /nfs/dbraw/zinc/66/12/83/893661283.db2.gz KBFOMGMEOWPFEV-YUMQZZPRSA-N 0 3 268.321 -1.213 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](C)NC(=O)C1(C(=O)NC)CC1 ZINC001498139901 893661344 /nfs/dbraw/zinc/66/13/44/893661344.db2.gz DSEVAJSANHNTAJ-IUCAKERBSA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](C)NC(=O)c1[nH]cnc1C ZINC001498205448 893662778 /nfs/dbraw/zinc/66/27/78/893662778.db2.gz CFZSAWYWYJIGOP-ZETCQYMHSA-N 0 3 296.331 -1.118 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001498189456 893663712 /nfs/dbraw/zinc/66/37/12/893663712.db2.gz GMWASCNQVBIWRG-JGVFFNPUSA-N 0 3 292.361 -2.482 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)Cn1ccccc1=O ZINC001498182155 893663893 /nfs/dbraw/zinc/66/38/93/893663893.db2.gz GZTRYNKBOLRBMF-WDEREUQCSA-N 0 3 292.339 -1.169 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)Cn2nccn2)C1 ZINC001498195748 893664191 /nfs/dbraw/zinc/66/41/91/893664191.db2.gz NVUKKDMPDOXJBO-UHFFFAOYSA-N 0 3 294.359 -1.053 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cn(C)c(=O)n1C ZINC001498198552 893664308 /nfs/dbraw/zinc/66/43/08/893664308.db2.gz MYTWBVOLDATBTQ-ZETCQYMHSA-N 0 3 269.305 -2.083 20 0 CAADHN CC[C@H](NC[C@H](C)NC(=O)Cn1cncn1)C(N)=O ZINC001498181069 893664750 /nfs/dbraw/zinc/66/47/50/893664750.db2.gz JZGSYGPNDWKGJS-IUCAKERBSA-N 0 3 268.321 -1.364 20 0 CAADHN C[C@@H](CN[C@H]1CCNC1=O)NC(=O)Cn1ccccc1=O ZINC001498182152 893665042 /nfs/dbraw/zinc/66/50/42/893665042.db2.gz GZTRYNKBOLRBMF-QWRGUYRKSA-N 0 3 292.339 -1.169 20 0 CAADHN CCN(CC)CC(=O)NC1CN(C(=O)CCNC(N)=O)C1 ZINC001498194220 893665102 /nfs/dbraw/zinc/66/51/02/893665102.db2.gz ANPJMABFRZGKRN-UHFFFAOYSA-N 0 3 299.375 -1.286 20 0 CAADHN C[C@@H](CNCC(=O)NC(N)=O)NC(=O)Cn1ccnc1 ZINC001498207126 893665159 /nfs/dbraw/zinc/66/51/59/893665159.db2.gz KMCBLFKEZIUBIO-QMMMGPOBSA-N 0 3 282.304 -1.828 20 0 CAADHN Cc1nc(CC(=O)N[C@H](C)CN(C)[C@@H]2CCNC2=O)n[nH]1 ZINC001498277837 893666439 /nfs/dbraw/zinc/66/64/39/893666439.db2.gz YXWXKBKHOFACSN-PSASIEDQSA-N 0 3 294.359 -1.019 20 0 CAADHN Cc1nc(CC(=O)N[C@@H](C)CN(C)[C@@H]2CCNC2=O)n[nH]1 ZINC001498277839 893667097 /nfs/dbraw/zinc/66/70/97/893667097.db2.gz YXWXKBKHOFACSN-WCBMZHEXSA-N 0 3 294.359 -1.019 20 0 CAADHN C[C@H](CC(=O)N[C@@H](C)CN(C)CCO)NC(N)=O ZINC001498281944 893667271 /nfs/dbraw/zinc/66/72/71/893667271.db2.gz RQBBTRJUYNWZKE-BDAKNGLRSA-N 0 3 260.338 -1.138 20 0 CAADHN Cc1nc(CC(=O)N[C@H](C)CN(C)[C@H](C)C(N)=O)n[nH]1 ZINC001498277129 893667354 /nfs/dbraw/zinc/66/73/54/893667354.db2.gz POCFFCYEHJPELR-HTQZYQBOSA-N 0 3 282.348 -1.034 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CN1CCCS1(=O)=O ZINC001498298676 893667636 /nfs/dbraw/zinc/66/76/36/893667636.db2.gz HLDUWPIVAQCDHY-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN Cc1nc(CC(=O)N[C@H](C)CN(C)[C@@H](C)C(N)=O)n[nH]1 ZINC001498277131 893667764 /nfs/dbraw/zinc/66/77/64/893667764.db2.gz POCFFCYEHJPELR-SFYZADRCSA-N 0 3 282.348 -1.034 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@H](C)CN(C)CCO ZINC001498283753 893669014 /nfs/dbraw/zinc/66/90/14/893669014.db2.gz YBJNGGDZOWNXLJ-SECBINFHSA-N 0 3 281.378 -1.646 20 0 CAADHN CCCN(C)CC(=O)NC1CN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001498326969 893671063 /nfs/dbraw/zinc/67/10/63/893671063.db2.gz FOZYALCQPIHITL-NSHDSACASA-N 0 3 296.371 -1.066 20 0 CAADHN COC[C@@H](O)CN(C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001498312220 893671720 /nfs/dbraw/zinc/67/17/20/893671720.db2.gz NYLIFMKKEJSCCU-ZJUUUORDSA-N 0 3 289.376 -1.058 20 0 CAADHN C[C@H](CN(C)CCn1cncn1)NC(=O)[C@H]1CNC(=O)N1 ZINC001498370239 893674430 /nfs/dbraw/zinc/67/44/30/893674430.db2.gz VVWGFGBLSOMSKU-NXEZZACHSA-N 0 3 295.347 -1.604 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@H]1CNC(=O)N1 ZINC001498370242 893674544 /nfs/dbraw/zinc/67/45/44/893674544.db2.gz VVWGFGBLSOMSKU-VHSXEESVSA-N 0 3 295.347 -1.604 20 0 CAADHN C[C@@H](CN(C)CCn1cncn1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001498370240 893675679 /nfs/dbraw/zinc/67/56/79/893675679.db2.gz VVWGFGBLSOMSKU-UWVGGRQHSA-N 0 3 295.347 -1.604 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)CN1C(=O)CCC1=O ZINC001498449274 893679520 /nfs/dbraw/zinc/67/95/20/893679520.db2.gz UTMIDPZUTLFYRB-VIFPVBQESA-N 0 3 271.317 -1.436 20 0 CAADHN C[C@@H](CN(C)CCO)NC(=O)C(C)(C)NS(C)(=O)=O ZINC001498397609 893680171 /nfs/dbraw/zinc/68/01/71/893680171.db2.gz AALHVHYHEYKFJC-VIFPVBQESA-N 0 3 295.405 -1.257 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC(CNC(=O)CC(N)=O)C2)C1 ZINC001498506921 893682396 /nfs/dbraw/zinc/68/23/96/893682396.db2.gz XNCSJIAUOFMXHK-SNVBAGLBSA-N 0 3 296.371 -1.222 20 0 CAADHN CN(C)C(=O)C[NH2+]CCCN(C)C(=O)c1nc[n-]n1 ZINC001498628188 893684519 /nfs/dbraw/zinc/68/45/19/893684519.db2.gz QXEBGRJUUAPJPF-UHFFFAOYSA-N 0 3 268.321 -1.055 20 0 CAADHN CC[C@H](C(=O)N1CC(CNC(=O)C(N)=O)C1)N(C)C ZINC001498679409 893688204 /nfs/dbraw/zinc/68/82/04/893688204.db2.gz UBNAOMKBBBLGCY-SECBINFHSA-N 0 3 270.333 -1.614 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1CC1 ZINC001498800591 893689142 /nfs/dbraw/zinc/68/91/42/893689142.db2.gz AEEVUXXVJHEAKQ-PSASIEDQSA-N 0 3 284.360 -1.272 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001498783610 893689196 /nfs/dbraw/zinc/68/91/96/893689196.db2.gz MRWQEUUKBHEJOK-ZJUUUORDSA-N 0 3 282.344 -1.518 20 0 CAADHN CN(C)C(=O)CNC[C@H](NC(=O)Cn1ncnn1)C1CC1 ZINC001498760911 893689438 /nfs/dbraw/zinc/68/94/38/893689438.db2.gz PTAMRJOFBZMQRA-JTQLQIEISA-N 0 3 295.347 -1.754 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1CCC(=O)NC1)C1CC1 ZINC001498783608 893689698 /nfs/dbraw/zinc/68/96/98/893689698.db2.gz MRWQEUUKBHEJOK-UWVGGRQHSA-N 0 3 282.344 -1.518 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](NC(=O)CC(N)=O)C1CC1 ZINC001498739800 893689951 /nfs/dbraw/zinc/68/99/51/893689951.db2.gz QXUJXQUTICYHPE-IONNQARKSA-N 0 3 270.333 -1.519 20 0 CAADHN Cn1nncc1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001498748841 893690106 /nfs/dbraw/zinc/69/01/06/893690106.db2.gz HRXLDYLMHILWJM-MRVPVSSYSA-N 0 3 266.305 -1.602 20 0 CAADHN CCN1C[C@H](C(=O)N[C@H](CNCC(N)=O)C2CC2)CC1=O ZINC001498769758 893690351 /nfs/dbraw/zinc/69/03/51/893690351.db2.gz OAEDYBCWQPHXQG-GHMZBOCLSA-N 0 3 296.371 -1.176 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)c1cc[n+]([O-])cc1)C1CC1 ZINC001498725009 893690371 /nfs/dbraw/zinc/69/03/71/893690371.db2.gz OFDMCIWXJMRFAM-LLVKDONJSA-N 0 3 278.312 -1.097 20 0 CAADHN C[C@@H](C(=O)N[C@H](CNCC(N)=O)C1CC1)S(C)(=O)=O ZINC001498781817 893690633 /nfs/dbraw/zinc/69/06/33/893690633.db2.gz QYJIFDQHZNHHOZ-IONNQARKSA-N 0 3 291.373 -1.611 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)Cn1cnnn1)C1CC1 ZINC001498725674 893690675 /nfs/dbraw/zinc/69/06/75/893690675.db2.gz XHIATZWNPKOLDD-JTQLQIEISA-N 0 3 295.347 -1.706 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](NC(=O)CC(N)=O)C1CC1 ZINC001498739801 893691014 /nfs/dbraw/zinc/69/10/14/893691014.db2.gz QXUJXQUTICYHPE-VXNVDRBHSA-N 0 3 270.333 -1.519 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001498806762 893692143 /nfs/dbraw/zinc/69/21/43/893692143.db2.gz YWWJUMDMYMAYFD-UWVGGRQHSA-N 0 3 282.344 -1.423 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N[C@H](CNCC(N)=O)C1CC1 ZINC001498806764 893692496 /nfs/dbraw/zinc/69/24/96/893692496.db2.gz YWWJUMDMYMAYFD-ZJUUUORDSA-N 0 3 282.344 -1.423 20 0 CAADHN Cn1ncc(C(=O)N[C@H](CN[C@H]2CCNC2=O)C2CC2)n1 ZINC001498846901 893693532 /nfs/dbraw/zinc/69/35/32/893693532.db2.gz ZYAGCLOGBMNXCR-VHSXEESVSA-N 0 3 292.343 -1.198 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)C(=O)NCC1CC1)C1CC1 ZINC001498843330 893694316 /nfs/dbraw/zinc/69/43/16/893694316.db2.gz CPUDGPJNKMQKSJ-LLVKDONJSA-N 0 3 296.371 -1.257 20 0 CAADHN Cn1ncc(C(=O)N[C@@H](CN[C@@H]2CCNC2=O)C2CC2)n1 ZINC001498846903 893694372 /nfs/dbraw/zinc/69/43/72/893694372.db2.gz ZYAGCLOGBMNXCR-ZJUUUORDSA-N 0 3 292.343 -1.198 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001498821627 893694412 /nfs/dbraw/zinc/69/44/12/893694412.db2.gz GGXZEERGNLWJFV-VWYCJHECSA-N 0 3 296.371 -1.272 20 0 CAADHN COCCCN1CC[C@@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001499032264 893700195 /nfs/dbraw/zinc/70/01/95/893700195.db2.gz BTOHETHRAGOMMO-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CCCN1CC[C@@H]1CNC(=O)CNS(=O)(=O)N(C)C ZINC001499072817 893704231 /nfs/dbraw/zinc/70/42/31/893704231.db2.gz QSJBHJDNUQDKCT-SNVBAGLBSA-N 0 3 292.405 -1.017 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCN1C(C)C)C(N)=O ZINC001499073708 893704329 /nfs/dbraw/zinc/70/43/29/893704329.db2.gz GAOMGAUSNOTDHG-QWRGUYRKSA-N 0 3 284.360 -1.035 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H]1CCN1CC(=O)NC(N)=O ZINC001499132224 893705544 /nfs/dbraw/zinc/70/55/44/893705544.db2.gz PCGKBXIADOYERN-JTQLQIEISA-N 0 3 299.375 -1.288 20 0 CAADHN O=C(CCN1CCOCC1)NC[C@@H]1CCN1CCO ZINC001499082168 893705671 /nfs/dbraw/zinc/70/56/71/893705671.db2.gz PJGXNWAMMMGMRP-LBPRGKRZSA-N 0 3 271.361 -1.109 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@@H]2CCNC2=O)CC1)C(N)=O ZINC001499310528 893712915 /nfs/dbraw/zinc/71/29/15/893712915.db2.gz NGTBHGJKSTWZTG-RKDXNWHRSA-N 0 3 282.344 -1.375 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@@H]2CCNC2=O)CC1)C(N)=O ZINC001499310525 893714442 /nfs/dbraw/zinc/71/44/42/893714442.db2.gz NGTBHGJKSTWZTG-BDAKNGLRSA-N 0 3 282.344 -1.375 20 0 CAADHN O=C(NCC1(N[C@H]2CCCNC2=O)CC1)[C@@H]1CNC(=O)N1 ZINC001499335147 893717498 /nfs/dbraw/zinc/71/74/98/893717498.db2.gz NEDXMOLHWYMWHL-IUCAKERBSA-N 0 3 295.343 -1.815 20 0 CAADHN O=C(CNC1(CNC(=O)Cc2nc[nH]n2)CC1)NC1CC1 ZINC001499416900 893717901 /nfs/dbraw/zinc/71/79/01/893717901.db2.gz ZUMXCFQPWNVTSR-UHFFFAOYSA-N 0 3 292.343 -1.136 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)Cn1cnnn1 ZINC001499870475 893724381 /nfs/dbraw/zinc/72/43/81/893724381.db2.gz UPDYQBWVKQMZQX-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H]1CCCN1C(=O)COC ZINC001499861805 893724832 /nfs/dbraw/zinc/72/48/32/893724832.db2.gz NNKGUWMMXREAKV-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@H]1CN[C@@H](C)C(N)=O ZINC001499875288 893725368 /nfs/dbraw/zinc/72/53/68/893725368.db2.gz YUJVWJJROMLKNF-ONGXEEELSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CCCC(N)=O ZINC001499957540 893727517 /nfs/dbraw/zinc/72/75/17/893727517.db2.gz GFFSKHIPEWBQIN-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)CNC[C@@H]1CCCN1C(=O)CCn1cnnn1 ZINC001499935787 893727560 /nfs/dbraw/zinc/72/75/60/893727560.db2.gz MWDRDIKJMCUULB-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001499916509 893728058 /nfs/dbraw/zinc/72/80/58/893728058.db2.gz QJSVJTMLACWAFH-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001499921086 893728601 /nfs/dbraw/zinc/72/86/01/893728601.db2.gz PPFJNOKSHUUVMU-IUCAKERBSA-N 0 3 293.327 -1.162 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@H]2CN[C@@H](C)C(N)=O)CC1 ZINC001499934694 893729409 /nfs/dbraw/zinc/72/94/09/893729409.db2.gz HSYUKVMLUJWTAP-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@]1(CNC(=O)C(N)=O)CCCN(CCn2cncn2)C1 ZINC001500519058 893736600 /nfs/dbraw/zinc/73/66/00/893736600.db2.gz JQIVLPNCLFKZRM-CYBMUJFWSA-N 0 3 294.359 -1.018 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cc2ccon2)CCOCC1 ZINC001500565508 893736952 /nfs/dbraw/zinc/73/69/52/893736952.db2.gz LIYWSUZDTHAFMA-UHFFFAOYSA-N 0 3 296.327 -1.043 20 0 CAADHN CC[C@H](C(N)=O)N1CCC(C)(CNC(=O)C(N)=O)CC1 ZINC001500444686 893737018 /nfs/dbraw/zinc/73/70/18/893737018.db2.gz SCMBKIPAOWZWDQ-SECBINFHSA-N 0 3 284.360 -1.046 20 0 CAADHN O=C(NC[C@@]1(O)CCN(CCOCCO)C1)C(F)F ZINC001500621511 893738871 /nfs/dbraw/zinc/73/88/71/893738871.db2.gz WJHKBFMTSFJVHT-NSHDSACASA-N 0 3 282.287 -1.187 20 0 CAADHN NC(=O)C(=O)NCC1(NCC(=O)N2CCC2)CCOCC1 ZINC001500584421 893738931 /nfs/dbraw/zinc/73/89/31/893738931.db2.gz XEGMDASLMWAOHD-UHFFFAOYSA-N 0 3 298.343 -2.041 20 0 CAADHN CCOCCN1CC[C@@](O)(CNC(=O)Cn2cnnn2)C1 ZINC001500630889 893740199 /nfs/dbraw/zinc/74/01/99/893740199.db2.gz DLYXDMHVHFGXFZ-GFCCVEGCSA-N 0 3 298.347 -1.737 20 0 CAADHN COc1cc(C(=O)NC[C@]2(O)CCN(CCO)C2)ncn1 ZINC001500677507 893744745 /nfs/dbraw/zinc/74/47/45/893744745.db2.gz KUWKOEKOYQHVAP-CYBMUJFWSA-N 0 3 296.327 -1.356 20 0 CAADHN Cn1cnc(C(=O)NC[C@@]2(O)CCN(CCCO)C2)n1 ZINC001500675632 893744981 /nfs/dbraw/zinc/74/49/81/893744981.db2.gz YLJFLWBFXVFOOE-LBPRGKRZSA-N 0 3 283.332 -1.636 20 0 CAADHN COc1cc(C(=O)NC[C@@]2(O)CCN(CCO)C2)ncn1 ZINC001500677508 893745321 /nfs/dbraw/zinc/74/53/21/893745321.db2.gz KUWKOEKOYQHVAP-ZDUSSCGKSA-N 0 3 296.327 -1.356 20 0 CAADHN C[C@@]1(C(=O)NC[C@]2(O)CCN(CCO)C2)CCNC(=O)C1 ZINC001500692806 893745394 /nfs/dbraw/zinc/74/53/94/893745394.db2.gz MIXJPCYRBRAXFI-ZIAGYGMSSA-N 0 3 299.371 -1.552 20 0 CAADHN NC(=O)CC(=O)NC[C@]1(O)CCN(CCn2cccn2)C1 ZINC001500652656 893746350 /nfs/dbraw/zinc/74/63/50/893746350.db2.gz BRQIZBHFKXDMRP-CYBMUJFWSA-N 0 3 295.343 -1.689 20 0 CAADHN Cn1ccc(CC(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001500677405 893747133 /nfs/dbraw/zinc/74/71/33/893747133.db2.gz JGKAKIXQBHSQPT-CYBMUJFWSA-N 0 3 282.344 -1.492 20 0 CAADHN COc1nccc(C(=O)NC[C@@]2(O)CCN(CCO)C2)n1 ZINC001500698559 893747470 /nfs/dbraw/zinc/74/74/70/893747470.db2.gz WJOXQGIEHJQDHT-ZDUSSCGKSA-N 0 3 296.327 -1.356 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001500670088 893748104 /nfs/dbraw/zinc/74/81/04/893748104.db2.gz HNJXYTZVNWNHRD-LBPRGKRZSA-N 0 3 288.348 -2.149 20 0 CAADHN CCCCOCCN1CC[C@@](O)(CNC(=O)C(N)=O)C1 ZINC001500717633 893750487 /nfs/dbraw/zinc/75/04/87/893750487.db2.gz CEQHKXQRCZENNK-CYBMUJFWSA-N 0 3 287.360 -1.159 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@]2(O)CCN(CCO)C2)n1 ZINC001500736006 893750585 /nfs/dbraw/zinc/75/05/85/893750585.db2.gz LPLNAKZOBDUTPL-GFCCVEGCSA-N 0 3 268.317 -1.123 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001500713937 893751158 /nfs/dbraw/zinc/75/11/58/893751158.db2.gz DZWJAKAZROLRJN-CYBMUJFWSA-N 0 3 296.327 -1.350 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001500713937 893751170 /nfs/dbraw/zinc/75/11/70/893751170.db2.gz DZWJAKAZROLRJN-CYBMUJFWSA-N 0 3 296.327 -1.350 20 0 CAADHN C[C@H](O)CN1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001500711357 893752595 /nfs/dbraw/zinc/75/25/95/893752595.db2.gz XACQHXRJSUHRRM-KWQFWETISA-N 0 3 284.320 -2.243 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)c2cnn(C)n2)C1 ZINC001500740606 893753408 /nfs/dbraw/zinc/75/34/08/893753408.db2.gz OIANZUQSZQHJOR-LBPRGKRZSA-N 0 3 283.332 -1.372 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCCO)C1)c1cnon1 ZINC001500739868 893754001 /nfs/dbraw/zinc/75/40/01/893754001.db2.gz DDTALRVVZQKXDU-LLVKDONJSA-N 0 3 270.289 -1.381 20 0 CAADHN CNC(=O)CN1CC(O)(CNC(=O)C2(N(C)C)CCC2)C1 ZINC001500850954 893767488 /nfs/dbraw/zinc/76/74/88/893767488.db2.gz LOTDPJZFWGIPSB-UHFFFAOYSA-N 0 3 298.387 -1.620 20 0 CAADHN CN(CC(=O)NCC1(O)CN(CCO)C1)C1CCC1 ZINC001500851289 893768184 /nfs/dbraw/zinc/76/81/84/893768184.db2.gz YKLGNFFTWGNYRQ-UHFFFAOYSA-N 0 3 271.361 -1.374 20 0 CAADHN C[C@H](O)CN1CC(O)(CNC(=O)c2[nH]ncc2F)C1 ZINC001500918347 893774424 /nfs/dbraw/zinc/77/44/24/893774424.db2.gz VRMIKECRVGWAKI-ZETCQYMHSA-N 0 3 272.280 -1.294 20 0 CAADHN CC(C)N(C)CC(=O)NCC1(O)CN([C@H](C)C(N)=O)C1 ZINC001500982124 893777169 /nfs/dbraw/zinc/77/71/69/893777169.db2.gz ATMWFNGBTNEEDF-SNVBAGLBSA-N 0 3 286.376 -1.637 20 0 CAADHN C[C@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001501076838 893779760 /nfs/dbraw/zinc/77/97/60/893779760.db2.gz RDCZYEIUUPLUKM-JGVFFNPUSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@@H]([NH2+]CC(N)=O)[C@@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001501076837 893779850 /nfs/dbraw/zinc/77/98/50/893779850.db2.gz RDCZYEIUUPLUKM-HTQZYQBOSA-N 0 3 266.305 -1.270 20 0 CAADHN Cc1nn[n-]c1C(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(N)=O)C1 ZINC001501130548 893780284 /nfs/dbraw/zinc/78/02/84/893780284.db2.gz YKDXTFGJZKHOMO-APPZFPTMSA-N 0 3 280.332 -1.104 20 0 CAADHN NC(=O)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(N)=O ZINC001501161538 893780801 /nfs/dbraw/zinc/78/08/01/893780801.db2.gz XLHHQRPMVGBVAH-ILWJIGKKSA-N 0 3 282.344 -1.294 20 0 CAADHN C[C@@H]([NH2+]CC(N)=O)[C@H]1CCN(C(=O)c2nc[n-]n2)C1 ZINC001501076839 893780946 /nfs/dbraw/zinc/78/09/46/893780946.db2.gz RDCZYEIUUPLUKM-SFYZADRCSA-N 0 3 266.305 -1.270 20 0 CAADHN CCN1CCC[C@](CO)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001501341296 893784106 /nfs/dbraw/zinc/78/41/06/893784106.db2.gz GMPLBUHRDRMXPQ-GWCFXTLKSA-N 0 3 284.360 -1.027 20 0 CAADHN CCN1CCC[C@](CO)(NC(=O)CN2CCNC(=O)C2)C1 ZINC001501342372 893784595 /nfs/dbraw/zinc/78/45/95/893784595.db2.gz XDSAYWMZFKXZMF-AWEZNQCLSA-N 0 3 298.387 -1.619 20 0 CAADHN CCN1CCC[C@@](CO)(NC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001501341297 893784661 /nfs/dbraw/zinc/78/46/61/893784661.db2.gz GMPLBUHRDRMXPQ-GXFFZTMASA-N 0 3 284.360 -1.027 20 0 CAADHN NC(=O)C(=O)N[C@@]1(CO)CCCN(C[C@@H]2CCCOC2)C1 ZINC001501345765 893786328 /nfs/dbraw/zinc/78/63/28/893786328.db2.gz OTTBWPAJGJENDQ-FZMZJTMJSA-N 0 3 299.371 -1.159 20 0 CAADHN O=C(Cc1nc[nH]n1)N[C@]1(CO)CCCN(CCCO)C1 ZINC001501360058 893786442 /nfs/dbraw/zinc/78/64/42/893786442.db2.gz PHOCRMNNJWBUCG-CYBMUJFWSA-N 0 3 297.359 -1.327 20 0 CAADHN C[C@H](O)CN1CCC[C@@](CO)(NC(=O)CC(N)=O)C1 ZINC001501312725 893786483 /nfs/dbraw/zinc/78/64/83/893786483.db2.gz JIYUMQDUGPPCKC-JOYOIKCWSA-N 0 3 273.333 -1.814 20 0 CAADHN COCC(=O)N(CCO)CCNCC(=O)N1CCC1 ZINC001501427528 893793824 /nfs/dbraw/zinc/79/38/24/893793824.db2.gz PWSHVGQXGQGKDW-UHFFFAOYSA-N 0 3 273.333 -1.724 20 0 CAADHN CC(=O)N(CCO)CCNCCN(C)S(C)(=O)=O ZINC001501430138 893794693 /nfs/dbraw/zinc/79/46/93/893794693.db2.gz SGFYGLCIJSEJOC-UHFFFAOYSA-N 0 3 281.378 -1.692 20 0 CAADHN COC(=O)NCC(=O)N(CCO)CCNCCF ZINC001501441101 893796075 /nfs/dbraw/zinc/79/60/75/893796075.db2.gz CKESLISZVKTYTC-UHFFFAOYSA-N 0 3 265.285 -1.278 20 0 CAADHN O=C(c1cn[nH]c1)N(CCO)CCN[C@H]1CCNC1=O ZINC001501440017 893797553 /nfs/dbraw/zinc/79/75/53/893797553.db2.gz ZZLTXLAHDKLNLN-JTQLQIEISA-N 0 3 281.316 -1.678 20 0 CAADHN CC(C)(O)CC(=O)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501453702 893799248 /nfs/dbraw/zinc/79/92/48/893799248.db2.gz HFCKSJHNYJETEE-SNVBAGLBSA-N 0 3 287.360 -1.554 20 0 CAADHN Cc1cc(CC(=O)N(CCO)CCNCC(N)=O)no1 ZINC001501445855 893799690 /nfs/dbraw/zinc/79/96/90/893799690.db2.gz XDNODZHCTALJCI-UHFFFAOYSA-N 0 3 284.316 -1.579 20 0 CAADHN Cc1cc(C(=O)N(CCO)CCNCC(N)=O)ncn1 ZINC001501450584 893799978 /nfs/dbraw/zinc/79/99/78/893799978.db2.gz NFRNACMCVJONCA-UHFFFAOYSA-N 0 3 281.316 -1.706 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1cncnc1 ZINC001501454101 893800375 /nfs/dbraw/zinc/80/03/75/893800375.db2.gz RWKUPLBVRRSTGL-UHFFFAOYSA-N 0 3 295.343 -1.411 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1ncn(C)n1 ZINC001501455427 893800526 /nfs/dbraw/zinc/80/05/26/893800526.db2.gz VWJXVXWYRKXZRF-UHFFFAOYSA-N 0 3 284.320 -2.415 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)c1cnnn1C)C(N)=O ZINC001501455626 893801782 /nfs/dbraw/zinc/80/17/82/893801782.db2.gz YKBZPCVFDGOGME-QMMMGPOBSA-N 0 3 284.320 -2.287 20 0 CAADHN O=C(CC1(O)CCC1)N(CCO)CCN[C@@H]1CCNC1=O ZINC001501457836 893802196 /nfs/dbraw/zinc/80/21/96/893802196.db2.gz GIYRJYOOYPNUDE-LLVKDONJSA-N 0 3 299.371 -1.410 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](O)CNC(=O)CC(N)=O)N(C)C ZINC001501470933 893802766 /nfs/dbraw/zinc/80/27/66/893802766.db2.gz VRHXGPVVSBKEHC-IUCAKERBSA-N 0 3 288.348 -2.205 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H]1CO[C@@H](C)C1 ZINC001501469736 893802844 /nfs/dbraw/zinc/80/28/44/893802844.db2.gz UQAYPJVLWGINBD-QWRGUYRKSA-N 0 3 287.360 -1.432 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C1(F)CCOCC1 ZINC001501462280 893803456 /nfs/dbraw/zinc/80/34/56/893803456.db2.gz POEWTQQZHSCNFD-UHFFFAOYSA-N 0 3 291.323 -1.599 20 0 CAADHN CC[C@@H]1OCC[C@H]1C(=O)N(CCO)CCNCC(N)=O ZINC001501477474 893804025 /nfs/dbraw/zinc/80/40/25/893804025.db2.gz GEWWABUCWHBJHR-MNOVXSKESA-N 0 3 287.360 -1.303 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001501475296 893805430 /nfs/dbraw/zinc/80/54/30/893805430.db2.gz XMFCISWYRSFUGY-GMXVVIOVSA-N 0 3 299.371 -1.303 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)Cn1ncnn1 ZINC001501459628 893805797 /nfs/dbraw/zinc/80/57/97/893805797.db2.gz WPJFUHWHCXGIHZ-UHFFFAOYSA-N 0 3 271.281 -3.431 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNC(=O)CC(N)=O)N(C)C ZINC001501470932 893806253 /nfs/dbraw/zinc/80/62/53/893806253.db2.gz VRHXGPVVSBKEHC-BDAKNGLRSA-N 0 3 288.348 -2.205 20 0 CAADHN O=C(Cc1c[nH]cn1)N(CCO)CCNCc1cnon1 ZINC001501497036 893806925 /nfs/dbraw/zinc/80/69/25/893806925.db2.gz NCNAXOOAMQVMSJ-UHFFFAOYSA-N 0 3 294.315 -1.054 20 0 CAADHN O=C([C@@H]1CCNC1=O)N(CCO)CCNCCF ZINC001501480804 893808154 /nfs/dbraw/zinc/80/81/54/893808154.db2.gz VUQYJLOBSPMOMO-SECBINFHSA-N 0 3 261.297 -1.498 20 0 CAADHN Cc1c[nH]c(C(=O)N(CCO)CCN[C@@H](C)C(N)=O)n1 ZINC001501499435 893808433 /nfs/dbraw/zinc/80/84/33/893808433.db2.gz HZAXCVRQCJZRJQ-VIFPVBQESA-N 0 3 283.332 -1.384 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)Cc1cnoc1 ZINC001501484039 893809328 /nfs/dbraw/zinc/80/93/28/893809328.db2.gz CGERRBXIFGWBLX-UHFFFAOYSA-N 0 3 298.343 -1.284 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001501482232 893810163 /nfs/dbraw/zinc/81/01/63/893810163.db2.gz OCFSCPXHQNJPKO-MRVPVSSYSA-N 0 3 299.331 -1.976 20 0 CAADHN Cn1nnc(C(=O)N(CCO)CCNC/C=C/Cl)n1 ZINC001501481709 893810235 /nfs/dbraw/zinc/81/02/35/893810235.db2.gz FDOXYZAQQJVISF-NSCUHMNNSA-N 0 3 288.739 -1.013 20 0 CAADHN COc1ccc(C(=O)N(CCO)CCNCC(N)=O)o1 ZINC001501500890 893811887 /nfs/dbraw/zinc/81/18/87/893811887.db2.gz GRPCNBMVOCNLBW-UHFFFAOYSA-N 0 3 285.300 -1.202 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@@H]1C[C@]12CCOC2 ZINC001501505795 893811990 /nfs/dbraw/zinc/81/19/90/893811990.db2.gz CJLQCJGCNRMHIT-FZMZJTMJSA-N 0 3 299.371 -1.431 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNC(=O)c1ncc[nH]1)N(C)C ZINC001501514544 893812821 /nfs/dbraw/zinc/81/28/21/893812821.db2.gz ARKUVFGCTYLNSR-VHSXEESVSA-N 0 3 297.359 -1.043 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)C[C@H]1CCCOC1 ZINC001501514355 893812904 /nfs/dbraw/zinc/81/29/04/893812904.db2.gz ITTHICLTOAXOEJ-LLVKDONJSA-N 0 3 287.360 -1.301 20 0 CAADHN Cc1nonc1CC(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001501504397 893813941 /nfs/dbraw/zinc/81/39/41/893813941.db2.gz ZBFXSPBTWFURFM-SECBINFHSA-N 0 3 299.331 -1.795 20 0 CAADHN Cn1ccc(C(=O)N(CCO)CCNCC(N)=O)n1 ZINC001501514262 893815107 /nfs/dbraw/zinc/81/51/07/893815107.db2.gz FYGXUPKBPVZART-UHFFFAOYSA-N 0 3 269.305 -2.071 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@H]1C[C@]12CCOC2 ZINC001501505796 893815562 /nfs/dbraw/zinc/81/55/62/893815562.db2.gz CJLQCJGCNRMHIT-RISCZKNCSA-N 0 3 299.371 -1.431 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@H](O)CNC(=O)C(N)=O ZINC001501555476 893816521 /nfs/dbraw/zinc/81/65/21/893816521.db2.gz WDVUDPOIFNVYSS-QMMMGPOBSA-N 0 3 274.321 -2.595 20 0 CAADHN CNC(=O)CNC1(CNC(=O)[C@H]2CCCNC2=O)CCC1 ZINC001501964457 893829031 /nfs/dbraw/zinc/82/90/31/893829031.db2.gz SRUYARDYPTWKRK-JTQLQIEISA-N 0 3 296.371 -1.113 20 0 CAADHN CN1CC[C@@H](CC(=O)NCC2(NCC(N)=O)CCC2)C1=O ZINC001501966542 893829565 /nfs/dbraw/zinc/82/95/65/893829565.db2.gz KSDVDUWKZWPMJW-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CNC1(CNC(=O)Cn2cncn2)CCC1 ZINC001502023916 893829979 /nfs/dbraw/zinc/82/99/79/893829979.db2.gz FHTLCYRYZDTQIW-UHFFFAOYSA-N 0 3 266.305 -1.608 20 0 CAADHN CN(C)C(=O)CNC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 ZINC001501988708 893830020 /nfs/dbraw/zinc/83/00/20/893830020.db2.gz NCTPXVVRDHBFIT-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNC1(CNC(=O)CN2CCCC2=O)CCC1 ZINC001501912765 893830269 /nfs/dbraw/zinc/83/02/69/893830269.db2.gz NKLNSOHWRUUVPT-UHFFFAOYSA-N 0 3 296.371 -1.017 20 0 CAADHN NC(=O)CNC1(CNC(=O)[C@@H]2CCNC2=O)CCC1 ZINC001501988575 893830325 /nfs/dbraw/zinc/83/03/25/893830325.db2.gz MBOHTDIHAXWZMM-MRVPVSSYSA-N 0 3 268.317 -1.764 20 0 CAADHN CNC(=O)CNC1(CNC(=O)Cn2cncn2)CCC1 ZINC001502024340 893831525 /nfs/dbraw/zinc/83/15/25/893831525.db2.gz XCECPXNBXHTHQL-UHFFFAOYSA-N 0 3 280.332 -1.347 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCC1(NCC(N)=O)CCC1 ZINC001501988371 893832180 /nfs/dbraw/zinc/83/21/80/893832180.db2.gz IUZQWKIFBKSAPE-MRVPVSSYSA-N 0 3 270.333 -1.388 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001502043554 893832878 /nfs/dbraw/zinc/83/28/78/893832878.db2.gz KFHXRUHWXWHSRN-DTWKUNHWSA-N 0 3 284.316 -2.433 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NC[C@H]1CN(C(C)=O)CCO1 ZINC001502034495 893833122 /nfs/dbraw/zinc/83/31/22/893833122.db2.gz ZQJFOWUAOYLOIG-SCZZXKLOSA-N 0 3 286.332 -1.333 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001502034069 893833258 /nfs/dbraw/zinc/83/32/58/893833258.db2.gz QMDCTSNRVZDJDP-WCBMZHEXSA-N 0 3 286.332 -2.187 20 0 CAADHN Cn1cc(CC(=O)N2CCO[C@H](CNCC(N)=O)C2)cn1 ZINC001502043020 893833806 /nfs/dbraw/zinc/83/38/06/893833806.db2.gz ANEUSLGXAXKXGA-LLVKDONJSA-N 0 3 295.343 -1.735 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@H]1CN(C(C)=O)CCO1 ZINC001502034497 893833365 /nfs/dbraw/zinc/83/33/65/893833365.db2.gz ZQJFOWUAOYLOIG-WPRPVWTQSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cnns2)CCO1)C(N)=O ZINC001502042135 893833742 /nfs/dbraw/zinc/83/37/42/893833742.db2.gz YGILNWQEKNCNFS-HTQZYQBOSA-N 0 3 299.356 -1.158 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)C2CC2)CCO1)C(=O)NC(N)=O ZINC001502034242 893833848 /nfs/dbraw/zinc/83/38/48/893833848.db2.gz UWSIJADPFDWGIX-SCZZXKLOSA-N 0 3 298.343 -1.203 20 0 CAADHN COCCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001502033590 893834181 /nfs/dbraw/zinc/83/41/81/893834181.db2.gz HBQKOEPANNKSFP-VIFPVBQESA-N 0 3 259.306 -1.675 20 0 CAADHN CCNC(=O)CNC[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001502045955 893834288 /nfs/dbraw/zinc/83/42/88/893834288.db2.gz KJFOKLIZLVKQAP-SECBINFHSA-N 0 3 286.332 -2.185 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1)C(N)=O ZINC001502046786 893834403 /nfs/dbraw/zinc/83/44/03/893834403.db2.gz ZIYOXQLBORJOAF-ONGXEEELSA-N 0 3 295.343 -1.357 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)CCO1 ZINC001502036787 893834595 /nfs/dbraw/zinc/83/45/95/893834595.db2.gz VVPHZNBWPSQUMD-LLVKDONJSA-N 0 3 294.311 -1.764 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001502034068 893834712 /nfs/dbraw/zinc/83/47/12/893834712.db2.gz QMDCTSNRVZDJDP-SCZZXKLOSA-N 0 3 286.332 -2.187 20 0 CAADHN CCNC(=O)NC(=O)CNC[C@H]1CN(C(C)=O)CCO1 ZINC001502031905 893834934 /nfs/dbraw/zinc/83/49/34/893834934.db2.gz MEPXUAJFYSDGIA-JTQLQIEISA-N 0 3 286.332 -1.331 20 0 CAADHN CCNC(=O)CNC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001502045956 893835048 /nfs/dbraw/zinc/83/50/48/893835048.db2.gz KJFOKLIZLVKQAP-VIFPVBQESA-N 0 3 286.332 -2.185 20 0 CAADHN CC(=O)N1CCO[C@@H](CNCC(=O)NC[C@H]2CCOC2)C1 ZINC001502034048 893835628 /nfs/dbraw/zinc/83/56/28/893835628.db2.gz QILDCJSFUHDRRX-OLZOCXBDSA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCO1 ZINC001502043555 893835765 /nfs/dbraw/zinc/83/57/65/893835765.db2.gz KFHXRUHWXWHSRN-RKDXNWHRSA-N 0 3 284.316 -2.433 20 0 CAADHN Cc1nnc(CC(=O)N2CCO[C@@H](CNCC(N)=O)C2)o1 ZINC001502050504 893835815 /nfs/dbraw/zinc/83/58/15/893835815.db2.gz ARKIHCLTSUUBPE-VIFPVBQESA-N 0 3 297.315 -1.777 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1)C(N)=O ZINC001502046785 893836286 /nfs/dbraw/zinc/83/62/86/893836286.db2.gz ZIYOXQLBORJOAF-MWLCHTKSSA-N 0 3 295.343 -1.357 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC[C@@H]1CN(C(C)=O)CCO1 ZINC001502034496 893837029 /nfs/dbraw/zinc/83/70/29/893837029.db2.gz ZQJFOWUAOYLOIG-WCBMZHEXSA-N 0 3 286.332 -1.333 20 0 CAADHN CC(=O)NCC(=O)N1CCO[C@@H](CN[C@@H](C)C(N)=O)C1 ZINC001502034070 893837233 /nfs/dbraw/zinc/83/72/33/893837233.db2.gz QMDCTSNRVZDJDP-WPRPVWTQSA-N 0 3 286.332 -2.187 20 0 CAADHN Cn1cc(CC(=O)N2CCO[C@@H](CNCC(N)=O)C2)cn1 ZINC001502043021 893837342 /nfs/dbraw/zinc/83/73/42/893837342.db2.gz ANEUSLGXAXKXGA-NSHDSACASA-N 0 3 295.343 -1.735 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cnns2)CCO1)C(N)=O ZINC001502042137 893837430 /nfs/dbraw/zinc/83/74/30/893837430.db2.gz YGILNWQEKNCNFS-SFYZADRCSA-N 0 3 299.356 -1.158 20 0 CAADHN NC(=O)C(=O)N1CCO[C@H](CNCC(=O)NC2CC2)C1 ZINC001502074724 893838305 /nfs/dbraw/zinc/83/83/05/893838305.db2.gz MUAQREZKQAEBGL-SECBINFHSA-N 0 3 284.316 -2.433 20 0 CAADHN C[C@@H](NC[C@H]1CN(C(=O)c2cnn(C)n2)CCO1)C(N)=O ZINC001502080977 893838908 /nfs/dbraw/zinc/83/89/08/893838908.db2.gz ILGABMZSJRNGHD-BDAKNGLRSA-N 0 3 296.331 -1.881 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCO1)C(N)=O ZINC001502072579 893838980 /nfs/dbraw/zinc/83/89/80/893838980.db2.gz QHCSAGFUDCBYTE-KKJSVHSVSA-N 0 3 297.355 -1.430 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CNC(=O)N2)CCO1 ZINC001502075253 893839373 /nfs/dbraw/zinc/83/93/73/893839373.db2.gz XYGKRWKTLOOWPX-YUMQZZPRSA-N 0 3 285.304 -3.030 20 0 CAADHN C[C@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)CC(N)=O ZINC001502077838 893839637 /nfs/dbraw/zinc/83/96/37/893839637.db2.gz QRHZTMCJAGGJCT-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1)C(N)=O ZINC001502080978 893839810 /nfs/dbraw/zinc/83/98/10/893839810.db2.gz ILGABMZSJRNGHD-DTWKUNHWSA-N 0 3 296.331 -1.881 20 0 CAADHN COC[C@H](OC)C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001502077443 893840396 /nfs/dbraw/zinc/84/03/96/893840396.db2.gz WDQJYLFOOXLHGZ-ZJUUUORDSA-N 0 3 289.332 -2.050 20 0 CAADHN C[C@H](NC[C@@H]1CN(C(=O)C(N)=O)CCO1)C(N)=O ZINC001502074383 893841289 /nfs/dbraw/zinc/84/12/89/893841289.db2.gz GCWWAJGGCSTAPT-NKWVEPMBSA-N 0 3 258.278 -2.838 20 0 CAADHN CO[C@H](C(=O)N1CCO[C@@H](CNCC(N)=O)C1)C(C)C ZINC001502074609 893841677 /nfs/dbraw/zinc/84/16/77/893841677.db2.gz KWRGWRUTOOUWFM-JQWIXIFHSA-N 0 3 287.360 -1.040 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)c2cnn(C)n2)CCO1)C(N)=O ZINC001502080980 893842118 /nfs/dbraw/zinc/84/21/18/893842118.db2.gz ILGABMZSJRNGHD-RKDXNWHRSA-N 0 3 296.331 -1.881 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)c2nc[nH]n2)CCO1 ZINC001502082968 893842346 /nfs/dbraw/zinc/84/23/46/893842346.db2.gz QECJUTJIEGSPPU-MRVPVSSYSA-N 0 3 282.304 -2.019 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCN(C)C(=O)C(N)=O ZINC001502369395 893842753 /nfs/dbraw/zinc/84/27/53/893842753.db2.gz JWKIFTASCJECDB-MRVPVSSYSA-N 0 3 258.322 -1.484 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001505628859 893887595 /nfs/dbraw/zinc/88/75/95/893887595.db2.gz KZWTXZZTHAGSRX-YUMQZZPRSA-N 0 3 272.349 -1.273 20 0 CAADHN NC(=O)CN[C@@]1(CO)CCCN(C(=O)c2ccn[nH]2)C1 ZINC001502556115 893850622 /nfs/dbraw/zinc/85/06/22/893850622.db2.gz ZFYZFMMTYLQEAU-LBPRGKRZSA-N 0 3 281.316 -1.548 20 0 CAADHN NC(=O)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2nnc[n-]2)C1 ZINC001502594919 893853947 /nfs/dbraw/zinc/85/39/47/893853947.db2.gz FUDIBNJVJKLCEL-LBPRGKRZSA-N 0 3 296.331 -2.224 20 0 CAADHN CC[C@@H](C(=O)NC[C@@H](C)NC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001502600695 893856907 /nfs/dbraw/zinc/85/69/07/893856907.db2.gz CFYGNTQVIBEODW-UTLUCORTSA-N 0 3 299.375 -1.371 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001502711923 893857641 /nfs/dbraw/zinc/85/76/41/893857641.db2.gz HXQCEOGDTBSUFR-DTWKUNHWSA-N 0 3 285.348 -1.773 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@@H]1NCC(N)=O ZINC001502724766 893858566 /nfs/dbraw/zinc/85/85/66/893858566.db2.gz PWBILLALNATSME-RQJHMYQMSA-N 0 3 292.286 -1.711 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@H](NCCF)[C@@H](C)C1 ZINC001502759698 893858599 /nfs/dbraw/zinc/85/85/99/893858599.db2.gz KSQGWPLEIBGZQM-IUCAKERBSA-N 0 3 281.353 -1.058 20 0 CAADHN CCN(CC)C(=O)CN[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001502737967 893859879 /nfs/dbraw/zinc/85/98/79/893859879.db2.gz GIWRKIUXVZGMJP-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CNC(=O)CN[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C ZINC001502700297 893860566 /nfs/dbraw/zinc/86/05/66/893860566.db2.gz BLDNFWRSXIXZHE-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CCN(CC)C(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001502737968 893860902 /nfs/dbraw/zinc/86/09/02/893860902.db2.gz GIWRKIUXVZGMJP-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)CNC(C)=O)C[C@@H]1C ZINC001502698075 893861061 /nfs/dbraw/zinc/86/10/61/893861061.db2.gz LIGIWXQPEVZEJB-ONGXEEELSA-N 0 3 284.360 -1.305 20 0 CAADHN O=C(Cn1ncnn1)N1CCC(O)(CNCCF)CC1 ZINC001502870072 893865134 /nfs/dbraw/zinc/86/51/34/893865134.db2.gz DPXABDXLMNYSJN-UHFFFAOYSA-N 0 3 286.311 -1.414 20 0 CAADHN CNC(=O)[C@H](C)NCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001502883652 893864571 /nfs/dbraw/zinc/86/45/71/893864571.db2.gz RPCJJEJRLFTPSO-QMMMGPOBSA-N 0 3 286.332 -2.451 20 0 CAADHN COCC(=O)N1CCC(O)(CNCc2cnnn2C)CC1 ZINC001502848249 893864811 /nfs/dbraw/zinc/86/48/11/893864811.db2.gz KWJOVDCCKSGAIO-UHFFFAOYSA-N 0 3 297.359 -1.095 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001502852035 893865047 /nfs/dbraw/zinc/86/50/47/893865047.db2.gz IJFYIRBYIRCHOH-SNVBAGLBSA-N 0 3 285.344 -1.406 20 0 CAADHN NC(=O)CNCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001502883216 893865184 /nfs/dbraw/zinc/86/51/84/893865184.db2.gz CFYWMRUFVXDDHX-UHFFFAOYSA-N 0 3 258.278 -3.100 20 0 CAADHN COCC(=O)NC1(CO)CCN(CCCO)CC1 ZINC001503770869 893867407 /nfs/dbraw/zinc/86/74/07/893867407.db2.gz KDRKXRSRRFXRIH-UHFFFAOYSA-N 0 3 260.334 -1.042 20 0 CAADHN C[C@@H](CNC(=O)CNC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001503105668 893867779 /nfs/dbraw/zinc/86/77/79/893867779.db2.gz AAPFYHBZEVASFR-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)Cn2cnnn2)CC1 ZINC001503840374 893869579 /nfs/dbraw/zinc/86/95/79/893869579.db2.gz QEOPMCSYBMUXRB-JTQLQIEISA-N 0 3 298.347 -2.003 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@@H]1CNC(=O)N1 ZINC001505386358 893871872 /nfs/dbraw/zinc/87/18/72/893871872.db2.gz MAUONFPVIZTJPV-VIFPVBQESA-N 0 3 286.332 -2.397 20 0 CAADHN Cc1nnc(CC(=O)NC2(CO)CCN(CCO)CC2)[nH]1 ZINC001505377356 893872296 /nfs/dbraw/zinc/87/22/96/893872296.db2.gz WMWSIILLBBEOLH-UHFFFAOYSA-N 0 3 297.359 -1.409 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)c2cnnn2C)CC1 ZINC001505362557 893872512 /nfs/dbraw/zinc/87/25/12/893872512.db2.gz KXNPGTPVEIDERJ-JTQLQIEISA-N 0 3 297.359 -1.247 20 0 CAADHN NC(=O)CN1CCC(CO)(NC(=O)c2[nH]ncc2F)CC1 ZINC001505387165 893872865 /nfs/dbraw/zinc/87/28/65/893872865.db2.gz GCGNDUIPONAPDE-UHFFFAOYSA-N 0 3 299.306 -1.409 20 0 CAADHN O=C(NC1(CO)CCN(CCO)CC1)[C@H]1CCCC(=O)N1 ZINC001505382800 893873029 /nfs/dbraw/zinc/87/30/29/893873029.db2.gz XZFGXSWCGMZZPY-LLVKDONJSA-N 0 3 299.371 -1.410 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)c2cnnn2C)CC1 ZINC001505362560 893873482 /nfs/dbraw/zinc/87/34/82/893873482.db2.gz KXNPGTPVEIDERJ-SNVBAGLBSA-N 0 3 297.359 -1.247 20 0 CAADHN CN(CCO)C[C@H]1CCCN1C(=O)CCNC(N)=O ZINC001505462240 893875936 /nfs/dbraw/zinc/87/59/36/893875936.db2.gz NJOLSPJDRCDHJA-SNVBAGLBSA-N 0 3 272.349 -1.040 20 0 CAADHN CC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N1CCNC(=O)C1 ZINC001505540329 893879176 /nfs/dbraw/zinc/87/91/76/893879176.db2.gz DVUFOCKYFSLUGY-BDAKNGLRSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)c1cnn(C)c1 ZINC001505554173 893879711 /nfs/dbraw/zinc/87/97/11/893879711.db2.gz JTXOMNRMYCDUME-HTQZYQBOSA-N 0 3 296.331 -1.289 20 0 CAADHN CC(=O)N[C@H](C)[C@H](C)NCC(=O)N1CCNC(=O)C1 ZINC001505540330 893879797 /nfs/dbraw/zinc/87/97/97/893879797.db2.gz DVUFOCKYFSLUGY-DTWKUNHWSA-N 0 3 270.333 -1.553 20 0 CAADHN C[C@@H](NC(=O)c1cncnc1)[C@H](C)NCC(=O)NC(N)=O ZINC001505591325 893879907 /nfs/dbraw/zinc/87/99/07/893879907.db2.gz HXNRGLQTUIUXMM-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)COC ZINC001505540364 893880012 /nfs/dbraw/zinc/88/00/12/893880012.db2.gz DZIWNCPVCAFJTO-DTWKUNHWSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](NC(=O)CCc1nnc[n-]1)[C@H](C)[NH2+]CC(N)=O ZINC001505581350 893880811 /nfs/dbraw/zinc/88/08/11/893880811.db2.gz IJTFNUFIJDVHIT-JGVFFNPUSA-N 0 3 268.321 -1.295 20 0 CAADHN CC(=O)NCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)N(C)C ZINC001505548134 893881789 /nfs/dbraw/zinc/88/17/89/893881789.db2.gz UKOLGMLYYPUXTA-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN CC(=O)N[C@@H](C)[C@H](C)NCC(=O)N1CCNC(=O)C1 ZINC001505540331 893882145 /nfs/dbraw/zinc/88/21/45/893882145.db2.gz DVUFOCKYFSLUGY-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001505561637 893882274 /nfs/dbraw/zinc/88/22/74/893882274.db2.gz MLQNKQKVNDARKP-JGVFFNPUSA-N 0 3 258.322 -1.567 20 0 CAADHN C[C@@H](NC(=O)CCn1ccnn1)[C@H](C)NCC(N)=O ZINC001505597039 893882424 /nfs/dbraw/zinc/88/24/24/893882424.db2.gz ZIUMSMDTQXWVPO-DTWKUNHWSA-N 0 3 268.321 -1.364 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCn1ccnn1 ZINC001505597038 893882668 /nfs/dbraw/zinc/88/26/68/893882668.db2.gz ZIUMSMDTQXWVPO-BDAKNGLRSA-N 0 3 268.321 -1.364 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCn1ccnn1 ZINC001505595735 893882779 /nfs/dbraw/zinc/88/27/79/893882779.db2.gz QHMQGLMUFLNIFE-UWVGGRQHSA-N 0 3 282.348 -1.103 20 0 CAADHN C[C@@H](NC(=O)c1cnc2n1CCOC2)[C@H](C)NCC(N)=O ZINC001505625625 893884485 /nfs/dbraw/zinc/88/44/85/893884485.db2.gz MCRJSMDHTUDIIC-DTWKUNHWSA-N 0 3 295.343 -1.005 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001505602592 893884837 /nfs/dbraw/zinc/88/48/37/893884837.db2.gz KSGZVQGRCPBOIT-IUCAKERBSA-N 0 3 267.333 -1.069 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001505628856 893885243 /nfs/dbraw/zinc/88/52/43/893885243.db2.gz KZWTXZZTHAGSRX-HTQZYQBOSA-N 0 3 272.349 -1.273 20 0 CAADHN C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NCC(N)=O ZINC001505636302 893885552 /nfs/dbraw/zinc/88/55/52/893885552.db2.gz BPJJPLFXORFUMT-JGVFFNPUSA-N 0 3 279.362 -1.611 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001505636303 893886683 /nfs/dbraw/zinc/88/66/83/893886683.db2.gz BPJJPLFXORFUMT-SFYZADRCSA-N 0 3 279.362 -1.611 20 0 CAADHN CCNC(=O)CN[C@H](C)[C@H](C)NC(=O)Cn1ncnn1 ZINC001505606666 893886799 /nfs/dbraw/zinc/88/67/99/893886799.db2.gz VODFEAFZNSQOBQ-BDAKNGLRSA-N 0 3 283.336 -1.708 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)Cc1ccn(C)n1 ZINC001505602590 893887012 /nfs/dbraw/zinc/88/70/12/893887012.db2.gz KSGZVQGRCPBOIT-BDAKNGLRSA-N 0 3 267.333 -1.069 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)CC(N)=O ZINC001505660524 893889086 /nfs/dbraw/zinc/88/90/86/893889086.db2.gz UYTGGGXLNWLWNH-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN CCCNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001505670520 893889128 /nfs/dbraw/zinc/88/91/28/893889128.db2.gz FUAPMCWGOKVKMW-DTWKUNHWSA-N 0 3 297.363 -1.167 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1ccn2nnnc2c1 ZINC001505670686 893889564 /nfs/dbraw/zinc/88/95/64/893889564.db2.gz HVALSMMLBZBPDC-YUMQZZPRSA-N 0 3 291.315 -1.294 20 0 CAADHN C[C@@H](NC(=O)c1ccncn1)[C@H](C)NCC(=O)NC(N)=O ZINC001505713502 893889773 /nfs/dbraw/zinc/88/97/73/893889773.db2.gz OMZRRSHSGVWVCK-JGVFFNPUSA-N 0 3 294.315 -1.232 20 0 CAADHN CCN(CC)CC(=O)N1CC[C@H]1CNC(=O)CC(N)=O ZINC001505659236 893890862 /nfs/dbraw/zinc/89/08/62/893890862.db2.gz IVFRNRWCXHMFMR-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cnn(C)n1 ZINC001505710449 893891711 /nfs/dbraw/zinc/89/17/11/893891711.db2.gz QMEUNGNDUTXNBB-RNFRBKRXSA-N 0 3 254.294 -1.603 20 0 CAADHN C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)c1ccncn1 ZINC001505713504 893891545 /nfs/dbraw/zinc/89/15/45/893891545.db2.gz OMZRRSHSGVWVCK-YUMQZZPRSA-N 0 3 294.315 -1.232 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)CC(N)=O ZINC001505660523 893891605 /nfs/dbraw/zinc/89/16/05/893891605.db2.gz UYTGGGXLNWLWNH-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H](NC(=O)c1ccn2nnnc2c1)[C@H](C)NCC(N)=O ZINC001505670684 893892210 /nfs/dbraw/zinc/89/22/10/893892210.db2.gz HVALSMMLBZBPDC-JGVFFNPUSA-N 0 3 291.315 -1.294 20 0 CAADHN CC(C)N(C)C(=O)CN[C@@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001505682389 893892436 /nfs/dbraw/zinc/89/24/36/893892436.db2.gz SEWSFVHODUAAQV-DTWKUNHWSA-N 0 3 272.349 -1.179 20 0 CAADHN C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)CCNC(N)=O ZINC001505751230 893893950 /nfs/dbraw/zinc/89/39/50/893893950.db2.gz WXKBBWQTMRBVQV-ZJUUUORDSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(=O)NC[C@@H](C)N(C)C[C@@H](O)CN1C(=O)CCC1=O ZINC001505852631 893894099 /nfs/dbraw/zinc/89/40/99/893894099.db2.gz SGCFMFXOQUVDLR-MWLCHTKSSA-N 0 3 285.344 -1.047 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N1CC[C@@H]1CNC(=O)C(N)=O ZINC001505856845 893894553 /nfs/dbraw/zinc/89/45/53/893894553.db2.gz FIDQULAFWKSCGZ-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CC(=O)NC[C@H](C)N(C)CCN1C(=O)CNC1=O ZINC001505852035 893895276 /nfs/dbraw/zinc/89/52/76/893895276.db2.gz FOVJRGANPCRDEC-QMMMGPOBSA-N 0 3 256.306 -1.005 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)CC(N)=O ZINC001505759094 893895973 /nfs/dbraw/zinc/89/59/73/893895973.db2.gz PGFFHLJSTJKHHK-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](NC(=O)c1cn(CC(N)=O)nn1)[C@H](C)NCCF ZINC001505760671 893896019 /nfs/dbraw/zinc/89/60/19/893896019.db2.gz NXLPELKVDQUXOU-JGVFFNPUSA-N 0 3 286.311 -1.171 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N[C@H](C)[C@H](C)NCC(N)=O ZINC001505757509 893896304 /nfs/dbraw/zinc/89/63/04/893896304.db2.gz RJWSXMQMXDLCLA-DTWKUNHWSA-N 0 3 293.389 -1.222 20 0 CAADHN C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)NCC(=O)N1CCC1 ZINC001505751229 893896445 /nfs/dbraw/zinc/89/64/45/893896445.db2.gz WXKBBWQTMRBVQV-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001505757508 893897244 /nfs/dbraw/zinc/89/72/44/893897244.db2.gz RJWSXMQMXDLCLA-BDAKNGLRSA-N 0 3 293.389 -1.222 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@@H]2CCN2C(=O)CC(N)=O)C1 ZINC001505889128 893897835 /nfs/dbraw/zinc/89/78/35/893897835.db2.gz IMMWLQFYBCVLHU-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC[C@H]2CCN2C(=O)CC(N)=O)C1 ZINC001505889127 893901005 /nfs/dbraw/zinc/90/10/05/893901005.db2.gz IMMWLQFYBCVLHU-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@@H]2CNC(=O)C(N)=O)C1 ZINC001505857409 893901143 /nfs/dbraw/zinc/90/11/43/893901143.db2.gz RRIHKARWWSYACA-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H](CNC(=O)[C@H]1COC(=O)N1)N(C)CCOCCO ZINC001505912595 893903623 /nfs/dbraw/zinc/90/36/23/893903623.db2.gz LFIDVCXDZRJNHZ-NXEZZACHSA-N 0 3 289.332 -1.460 20 0 CAADHN CNC(=O)NCCC(=O)NC[C@@H](C)N(C)CCO ZINC001505914813 893904388 /nfs/dbraw/zinc/90/43/88/893904388.db2.gz QZTBXVFWTHXMJQ-SECBINFHSA-N 0 3 260.338 -1.266 20 0 CAADHN COC[C@@H](O)CN(C)[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001505939918 893906772 /nfs/dbraw/zinc/90/67/72/893906772.db2.gz RDQUMONXUWJVRD-ZJUUUORDSA-N 0 3 289.376 -1.058 20 0 CAADHN C[C@H](CNC(=O)Cc1cnc[nH]1)N(C)CC(=O)NC(N)=O ZINC001506010949 893912060 /nfs/dbraw/zinc/91/20/60/893912060.db2.gz YVANBFRLGLCDSY-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)N(C)CCO ZINC001506058784 893915400 /nfs/dbraw/zinc/91/54/00/893915400.db2.gz LHEHGAHTDZKXCG-IUCAKERBSA-N 0 3 279.362 -1.893 20 0 CAADHN CC(C)N(C)CC(=O)NC1(CNC(=O)C(N)=O)CC1 ZINC001506191890 893924686 /nfs/dbraw/zinc/92/46/86/893924686.db2.gz VRZBIWOTOPNUOO-UHFFFAOYSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](C(=O)NCC1(NC(=O)CC(N)=O)CC1)N(C)C ZINC001506152267 893925453 /nfs/dbraw/zinc/92/54/53/893925453.db2.gz NKSZLSWCSKKYQH-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001506287510 893928871 /nfs/dbraw/zinc/92/88/71/893928871.db2.gz WLGGOWKZXSSNCI-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CC[C@H](C(=O)N(C)C1CN(C(=O)CC(N)=O)C1)N(C)C ZINC001506311602 893928893 /nfs/dbraw/zinc/92/88/93/893928893.db2.gz MVZJXZUEVURAGH-SNVBAGLBSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(=O)NCC(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC001506286415 893928983 /nfs/dbraw/zinc/92/89/83/893928983.db2.gz AYMDYXNDEGCFPX-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN COC[C@H](O)CN1CCCCC[C@@H]1CNC(=O)C(N)=O ZINC001506574824 893932048 /nfs/dbraw/zinc/93/20/48/893932048.db2.gz XZDSDVBVPOAMGJ-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN C[C@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C1CN(CCCO)C1 ZINC001506683978 893934026 /nfs/dbraw/zinc/93/40/26/893934026.db2.gz WUNSQPHUVZQZJU-VHSXEESVSA-N 0 3 297.355 -1.142 20 0 CAADHN C[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)C1CN(CCCO)C1 ZINC001506683974 893934452 /nfs/dbraw/zinc/93/44/52/893934452.db2.gz WUNSQPHUVZQZJU-NXEZZACHSA-N 0 3 297.355 -1.142 20 0 CAADHN C[C@@H](NC(=O)C[C@H]1CC(=O)NC1=O)C1CN(CCCO)C1 ZINC001506683980 893934785 /nfs/dbraw/zinc/93/47/85/893934785.db2.gz WUNSQPHUVZQZJU-ZJUUUORDSA-N 0 3 297.355 -1.142 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2ccon2)CCO1 ZINC001506839849 893941749 /nfs/dbraw/zinc/94/17/49/893941749.db2.gz VCKMGHQOIWVXFS-SCZZXKLOSA-N 0 3 282.300 -1.021 20 0 CAADHN CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001506832964 893941867 /nfs/dbraw/zinc/94/18/67/893941867.db2.gz KMFDULRIBJHTCT-IUCAKERBSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cncn2C)CCO1 ZINC001506840216 893941998 /nfs/dbraw/zinc/94/19/98/893941998.db2.gz PLWQEPORGHXRCH-ONGXEEELSA-N 0 3 295.343 -1.276 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@H]1CN(C(C)=O)CCO1 ZINC001506837693 893942524 /nfs/dbraw/zinc/94/25/24/893942524.db2.gz ULEQYYHVKGLETG-PSASIEDQSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)NC(=O)CN[C@H](C)[C@@H]1CN(C(C)=O)CCO1 ZINC001506837694 893942805 /nfs/dbraw/zinc/94/28/05/893942805.db2.gz ULEQYYHVKGLETG-SCZZXKLOSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001506835766 893943747 /nfs/dbraw/zinc/94/37/47/893943747.db2.gz QLAZSFACGHKFGN-KOLCDFICSA-N 0 3 293.327 -1.219 20 0 CAADHN CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001506832954 893943857 /nfs/dbraw/zinc/94/38/57/893943857.db2.gz KMFDULRIBJHTCT-BDAKNGLRSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cn(C)cn2)CCO1 ZINC001506832978 893943918 /nfs/dbraw/zinc/94/39/18/893943918.db2.gz KPPCXEZIICBKAV-MWLCHTKSSA-N 0 3 295.343 -1.276 20 0 CAADHN C[C@H](NCC(N)=O)[C@H]1CN(C(=O)c2cncnc2)CCO1 ZINC001506835762 893944154 /nfs/dbraw/zinc/94/41/54/893944154.db2.gz QLAZSFACGHKFGN-GXSJLCMTSA-N 0 3 293.327 -1.219 20 0 CAADHN COCCC(=O)N1CCO[C@@H]([C@@H](C)NCC(N)=O)C1 ZINC001506833135 893944255 /nfs/dbraw/zinc/94/42/55/893944255.db2.gz LCDQIWIXTBFCPY-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)c2cnnn2C)CCO1 ZINC001506844037 893944388 /nfs/dbraw/zinc/94/43/88/893944388.db2.gz YDTOCOZJBYBQLH-PSASIEDQSA-N 0 3 296.331 -1.881 20 0 CAADHN C[C@@H](NCC(=O)NC(N)=O)[C@@H]1CN(C(=O)C2CC2)CCO1 ZINC001506831686 893944414 /nfs/dbraw/zinc/94/44/14/893944414.db2.gz IDHKBFXXYOARFK-SCZZXKLOSA-N 0 3 298.343 -1.203 20 0 CAADHN C[C@H](CCCNCC(=O)Nc1ccon1)NC(=O)C(N)=O ZINC001506935432 893946044 /nfs/dbraw/zinc/94/60/44/893946044.db2.gz BJSDDTHUGVLFIU-MRVPVSSYSA-N 0 3 297.315 -1.027 20 0 CAADHN C[C@@H](NCCF)[C@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001506844674 893946078 /nfs/dbraw/zinc/94/60/78/893946078.db2.gz NDJWICXRKVRDNW-RKDXNWHRSA-N 0 3 286.311 -1.001 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CC[C@@H]2CN(CC(N)=O)C[C@@H]2C1 ZINC001506856918 893946410 /nfs/dbraw/zinc/94/64/10/893946410.db2.gz ZCLCKNSZPGDVDM-KXUCPTDWSA-N 0 3 282.344 -1.436 20 0 CAADHN C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001506844356 893946614 /nfs/dbraw/zinc/94/66/14/893946614.db2.gz LOMHBQJYPIFIOX-BQBZGAKWSA-N 0 3 258.278 -2.838 20 0 CAADHN C[C@@H](CCCNCC(=O)Nc1ccon1)NC(=O)C(N)=O ZINC001506935433 893946877 /nfs/dbraw/zinc/94/68/77/893946877.db2.gz BJSDDTHUGVLFIU-QMMMGPOBSA-N 0 3 297.315 -1.027 20 0 CAADHN C[C@H](NCCF)[C@@H]1CN(C(=O)c2nnn(C)n2)CCO1 ZINC001506844672 893947055 /nfs/dbraw/zinc/94/70/55/893947055.db2.gz NDJWICXRKVRDNW-IUCAKERBSA-N 0 3 286.311 -1.001 20 0 CAADHN C[C@H](CCCNCc1cnnn1C)NC(=O)C(N)=O ZINC001506936065 893947080 /nfs/dbraw/zinc/94/70/80/893947080.db2.gz HQXNBDIQVBSQPS-MRVPVSSYSA-N 0 3 268.321 -1.325 20 0 CAADHN C[C@@H](CCCNCc1cnnn1C)NC(=O)C(N)=O ZINC001506936066 893947521 /nfs/dbraw/zinc/94/75/21/893947521.db2.gz HQXNBDIQVBSQPS-QMMMGPOBSA-N 0 3 268.321 -1.325 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001506844384 893947829 /nfs/dbraw/zinc/94/78/29/893947829.db2.gz LOMHBQJYPIFIOX-RNFRBKRXSA-N 0 3 258.278 -2.838 20 0 CAADHN CN(C(=O)C(C)(C)C(N)=O)[C@@H](CNCC(N)=O)C1CC1 ZINC001507013813 893949394 /nfs/dbraw/zinc/94/93/94/893949394.db2.gz ZUHCRHQIQRYITL-VIFPVBQESA-N 0 3 284.360 -1.190 20 0 CAADHN CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1COC(=O)N1 ZINC001507005906 893949492 /nfs/dbraw/zinc/94/94/92/893949492.db2.gz CFWZAVFNVRJQPJ-ZJUUUORDSA-N 0 3 298.343 -1.333 20 0 CAADHN C[C@H](CN(C)C(=O)C1=COCCO1)NCC(N)=O ZINC001507045687 893950226 /nfs/dbraw/zinc/95/02/26/893950226.db2.gz IFZDFOJJWSKZCQ-MRVPVSSYSA-N 0 3 257.290 -1.204 20 0 CAADHN COCC(=O)N(C)C[C@H](C)N[C@H](C)C(=O)NC(N)=O ZINC001507043016 893950304 /nfs/dbraw/zinc/95/03/04/893950304.db2.gz VDCVKHYCFLWRQP-JGVFFNPUSA-N 0 3 274.321 -1.347 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnn(C)c1)NCC(=O)NC(N)=O ZINC001507047051 893950409 /nfs/dbraw/zinc/95/04/09/893950409.db2.gz FENAQWMZTSQMSJ-MRVPVSSYSA-N 0 3 296.331 -1.335 20 0 CAADHN CN(C(=O)C(C)(C)C(N)=O)[C@H](CNCC(N)=O)C1CC1 ZINC001507013811 893951468 /nfs/dbraw/zinc/95/14/68/893951468.db2.gz ZUHCRHQIQRYITL-SECBINFHSA-N 0 3 284.360 -1.190 20 0 CAADHN COCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)NC(N)=O ZINC001507043021 893951751 /nfs/dbraw/zinc/95/17/51/893951751.db2.gz VDCVKHYCFLWRQP-YUMQZZPRSA-N 0 3 274.321 -1.347 20 0 CAADHN CN(C(=O)CCn1cnnn1)[C@H](CNCC(N)=O)C1CC1 ZINC001507031710 893951935 /nfs/dbraw/zinc/95/19/35/893951935.db2.gz WZTQLNJRTKRULW-SNVBAGLBSA-N 0 3 295.347 -1.625 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)[C@@H](CNCC(N)=O)C1CC1 ZINC001507017711 893952428 /nfs/dbraw/zinc/95/24/28/893952428.db2.gz CNZOLGOWACNNKM-SCZZXKLOSA-N 0 3 284.360 -1.190 20 0 CAADHN CN(C(=O)c1cnn(C)c1N)[C@H](CNCC(N)=O)C1CC1 ZINC001507008813 893952468 /nfs/dbraw/zinc/95/24/68/893952468.db2.gz INBIZPQEBDSCEY-SNVBAGLBSA-N 0 3 294.359 -1.072 20 0 CAADHN CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H](CNCC(N)=O)C1CC1 ZINC001507018049 893952689 /nfs/dbraw/zinc/95/26/89/893952689.db2.gz GUFNGEQVUTUFFX-ZJUUUORDSA-N 0 3 297.359 -1.678 20 0 CAADHN C[C@H](CN(C)C(=O)Cn1cccn1)NCC(=O)NC(N)=O ZINC001507045003 893952809 /nfs/dbraw/zinc/95/28/09/893952809.db2.gz JJNMKUIKQPOETK-SECBINFHSA-N 0 3 296.331 -1.486 20 0 CAADHN C[C@@H](CN(C)C(=O)C1=COCCO1)NCC(N)=O ZINC001507045701 893952977 /nfs/dbraw/zinc/95/29/77/893952977.db2.gz IFZDFOJJWSKZCQ-QMMMGPOBSA-N 0 3 257.290 -1.204 20 0 CAADHN CC(C)[C@@H](CCNC(=O)C(N)=O)NCc1nncn1C ZINC001506990148 893953400 /nfs/dbraw/zinc/95/34/00/893953400.db2.gz NAVKIRLWQYNTGB-SECBINFHSA-N 0 3 282.348 -1.079 20 0 CAADHN C[C@H](CN(C)C(=O)CC(N)=O)N[C@H]1CCCN(C)C1=O ZINC001507056997 893954399 /nfs/dbraw/zinc/95/43/99/893954399.db2.gz UUBLHIWNISHHLO-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)c1nnn(C)n1 ZINC001507112410 893954417 /nfs/dbraw/zinc/95/44/17/893954417.db2.gz SZAAUBGPFXEGEK-SSDOTTSWSA-N 0 3 269.309 -1.994 20 0 CAADHN C[C@@H](CN(C)C(=O)CC(N)=O)NCC(=O)NC1CC1 ZINC001507055553 893954665 /nfs/dbraw/zinc/95/46/65/893954665.db2.gz LDJDHBFFLODTQF-QMMMGPOBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](CN(C)C(=O)CC(N)=O)NCC(=O)NC1CC1 ZINC001507055549 893954823 /nfs/dbraw/zinc/95/48/23/893954823.db2.gz LDJDHBFFLODTQF-MRVPVSSYSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cc2n(n1)CCO2)NCC(N)=O ZINC001507089415 893955174 /nfs/dbraw/zinc/95/51/74/893955174.db2.gz BFRBVRWHUVHEKJ-QMMMGPOBSA-N 0 3 281.316 -1.189 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nccnc1N)N[C@H]1CCNC1=O ZINC001507054036 893955765 /nfs/dbraw/zinc/95/57/65/893955765.db2.gz BSOATODCLZTOCP-IUCAKERBSA-N 0 3 292.343 -1.003 20 0 CAADHN C[C@H](CN(C)C(=O)c1cnnn1C)N[C@@H](C)C(N)=O ZINC001507071096 893955954 /nfs/dbraw/zinc/95/59/54/893955954.db2.gz XCWVVIADJUZUKD-SFYZADRCSA-N 0 3 268.321 -1.261 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ncn(C)n1)N[C@@H](C)C(N)=O ZINC001507073812 893956054 /nfs/dbraw/zinc/95/60/54/893956054.db2.gz FWPXFQOTWXOXNQ-YUMQZZPRSA-N 0 3 268.321 -1.261 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(N)=O ZINC001507073184 893956461 /nfs/dbraw/zinc/95/64/61/893956461.db2.gz APQZRXTVSYAJDR-BDAKNGLRSA-N 0 3 287.364 -1.384 20 0 CAADHN COCCn1cc(C(=O)N(C)C[C@@H](C)NCC(N)=O)nn1 ZINC001507070272 893956565 /nfs/dbraw/zinc/95/65/65/893956565.db2.gz FFYDYTVTEWEBKV-SECBINFHSA-N 0 3 298.347 -1.540 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)NCC(N)=O ZINC001507077795 893957000 /nfs/dbraw/zinc/95/70/00/893957000.db2.gz NWWGNDBRAFDUHD-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CNC(=O)NCCC(=O)N(C)C[C@H](C)N[C@@H](C)C(N)=O ZINC001507073191 893957057 /nfs/dbraw/zinc/95/70/57/893957057.db2.gz APQZRXTVSYAJDR-IUCAKERBSA-N 0 3 287.364 -1.384 20 0 CAADHN CC[C@H](N[C@@H](C)CN(C)C(=O)Cn1cnnn1)C(N)=O ZINC001507050003 893957359 /nfs/dbraw/zinc/95/73/59/893957359.db2.gz QKFJBHDGOFHHAG-IUCAKERBSA-N 0 3 283.336 -1.627 20 0 CAADHN C[C@H](CN(C)C(=O)c1cc2n(n1)CCO2)NCC(N)=O ZINC001507089411 893957385 /nfs/dbraw/zinc/95/73/85/893957385.db2.gz BFRBVRWHUVHEKJ-MRVPVSSYSA-N 0 3 281.316 -1.189 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H](C)CC(N)=O ZINC001507111220 893957690 /nfs/dbraw/zinc/95/76/90/893957690.db2.gz RYDHNQHBBOQKFO-DTWKUNHWSA-N 0 3 272.349 -1.320 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)NCC(N)=O ZINC001507077792 893957905 /nfs/dbraw/zinc/95/79/05/893957905.db2.gz NWWGNDBRAFDUHD-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN C[C@@H](N[C@@H](C)CN(C)C(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001507086325 893958003 /nfs/dbraw/zinc/95/80/03/893958003.db2.gz RRIKDVONNQKXBR-DTWKUNHWSA-N 0 3 295.343 -1.296 20 0 CAADHN C[C@H](CN(C)C(=O)CC(N)=O)N[C@@H]1CCCN(C)C1=O ZINC001507056986 893958033 /nfs/dbraw/zinc/95/80/33/893958033.db2.gz UUBLHIWNISHHLO-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](CN(C)C(=O)CCNC(N)=O)N[C@@H]1CCNC1=O ZINC001507153331 893960444 /nfs/dbraw/zinc/96/04/44/893960444.db2.gz RBUSQLPZGVCHEU-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)N[C@@H](C)C(N)=O ZINC001507113778 893960578 /nfs/dbraw/zinc/96/05/78/893960578.db2.gz DBIKMMXPNOUXNN-YUMQZZPRSA-N 0 3 281.316 -1.306 20 0 CAADHN C[C@@H](CN(C)C(=O)CCNC(N)=O)N[C@@H]1CCNC1=O ZINC001507153327 893960891 /nfs/dbraw/zinc/96/08/91/893960891.db2.gz RBUSQLPZGVCHEU-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)NCC(=O)N(C)C ZINC001507115951 893960903 /nfs/dbraw/zinc/96/09/03/893960903.db2.gz PJSHGLVZFYHQRD-IUCAKERBSA-N 0 3 285.348 -1.808 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C1=O)NCC(=O)N(C)C ZINC001507114549 893960946 /nfs/dbraw/zinc/96/09/46/893960946.db2.gz SAMDVYFXWXQQDI-QWRGUYRKSA-N 0 3 298.387 -1.011 20 0 CAADHN CCn1nc(C(=O)N(C)C[C@@H](C)NCC(N)=O)ccc1=O ZINC001507135903 893961075 /nfs/dbraw/zinc/96/10/75/893961075.db2.gz IPQXSOYZSYPATK-SECBINFHSA-N 0 3 295.343 -1.201 20 0 CAADHN C[C@@H](CN(C)C(=O)c1nc[n-]n1)[NH2+][C@@H]1CCNC1=O ZINC001507134127 893961260 /nfs/dbraw/zinc/96/12/60/893961260.db2.gz AZQOZJVVIKBUAY-JGVFFNPUSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@H](CN(C)C(=O)c1nc2ncccn2n1)NCC(N)=O ZINC001507135095 893961291 /nfs/dbraw/zinc/96/12/91/893961291.db2.gz FVLGCBAZNUINBY-MRVPVSSYSA-N 0 3 291.315 -1.340 20 0 CAADHN C[C@@H](CN(C)C(=O)c1cnon1)NCc1nc(=O)n(C)[nH]1 ZINC001507138030 893961509 /nfs/dbraw/zinc/96/15/09/893961509.db2.gz FTAGJAFWVYGXQP-ZETCQYMHSA-N 0 3 295.303 -1.258 20 0 CAADHN CCNC(=O)CN[C@@H](C)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001507118874 893961923 /nfs/dbraw/zinc/96/19/23/893961923.db2.gz ROEGBHPIBHGZQS-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CN[C@H](C)CN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001507132325 893962029 /nfs/dbraw/zinc/96/20/29/893962029.db2.gz PHWBGLIQZFZVLC-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CCn1nc(C(=O)N(C)C[C@H](C)NCC(N)=O)ccc1=O ZINC001507135905 893962380 /nfs/dbraw/zinc/96/23/80/893962380.db2.gz IPQXSOYZSYPATK-VIFPVBQESA-N 0 3 295.343 -1.201 20 0 CAADHN C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)NCC(=O)N(C)C ZINC001507115949 893962881 /nfs/dbraw/zinc/96/28/81/893962881.db2.gz PJSHGLVZFYHQRD-DTWKUNHWSA-N 0 3 285.348 -1.808 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)CCCC(N)=O ZINC001507164570 893962663 /nfs/dbraw/zinc/96/26/63/893962663.db2.gz QLIXSVDDDPYSPV-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001507132327 893962802 /nfs/dbraw/zinc/96/28/02/893962802.db2.gz PHWBGLIQZFZVLC-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@H](CN(C)C(=O)CCNC(N)=O)N[C@H]1CCNC1=O ZINC001507153325 893962992 /nfs/dbraw/zinc/96/29/92/893962992.db2.gz RBUSQLPZGVCHEU-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CC(=O)NC[C@H](CO)NCCCS(C)(=O)=O ZINC001507169433 893965187 /nfs/dbraw/zinc/96/51/87/893965187.db2.gz UZGUUUNXKQHFRQ-SECBINFHSA-N 0 3 252.336 -1.492 20 0 CAADHN COCC(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001507168358 893967238 /nfs/dbraw/zinc/96/72/38/893967238.db2.gz PKMQNOAHCNUJFM-VIFPVBQESA-N 0 3 257.294 -2.009 20 0 CAADHN CC(=O)NC[C@@H](CO)NCCCS(C)(=O)=O ZINC001507169434 893967279 /nfs/dbraw/zinc/96/72/79/893967279.db2.gz UZGUUUNXKQHFRQ-VIFPVBQESA-N 0 3 252.336 -1.492 20 0 CAADHN O=C(NCCN[C@H](CO)CNC(=O)[C@H]1CCCO1)C1CC1 ZINC001507175961 893971251 /nfs/dbraw/zinc/97/12/51/893971251.db2.gz UUVKXRAUXVMFQC-NWDGAFQWSA-N 0 3 299.371 -1.242 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)Cc1cnn(C)c1 ZINC001507178625 893972475 /nfs/dbraw/zinc/97/24/75/893972475.db2.gz LDTQVASXBZQXKF-LLVKDONJSA-N 0 3 270.333 -1.324 20 0 CAADHN O=C(NC[C@@H](CO)NCCNC(=O)C1CC1)c1ccon1 ZINC001507179689 893974586 /nfs/dbraw/zinc/97/45/86/893974586.db2.gz NFBQXMGNVPIKMR-JTQLQIEISA-N 0 3 296.327 -1.119 20 0 CAADHN Cc1nc(C)n(CCN[C@H](CO)CNC(=O)CC(N)=O)n1 ZINC001507182177 893977682 /nfs/dbraw/zinc/97/76/82/893977682.db2.gz HQBWNDQCFFJOLF-JTQLQIEISA-N 0 3 298.347 -2.163 20 0 CAADHN CO[C@H](C)C(=O)NC[C@H](CO)NCCN1CCCC1=O ZINC001507181672 893979038 /nfs/dbraw/zinc/97/90/38/893979038.db2.gz XTGHFSYMDCCKIM-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(NC[C@H](CO)NCCN1CCCC1=O)[C@H]1CCOC1 ZINC001507180712 893979215 /nfs/dbraw/zinc/97/92/15/893979215.db2.gz SDPPSSQECGVPJX-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN CO[C@H](C)C(=O)NC[C@@H](CO)NCCN1CCCC1=O ZINC001507181675 893979629 /nfs/dbraw/zinc/97/96/29/893979629.db2.gz XTGHFSYMDCCKIM-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(NC[C@@H](CO)NCCN1CCCC1=O)[C@H]1CCOC1 ZINC001507180714 893980104 /nfs/dbraw/zinc/98/01/04/893980104.db2.gz SDPPSSQECGVPJX-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H](C)NC(N)=O ZINC001507194949 893987482 /nfs/dbraw/zinc/98/74/82/893987482.db2.gz SENRBPHGZORHRX-JGVFFNPUSA-N 0 3 262.310 -2.244 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001507199140 893990937 /nfs/dbraw/zinc/99/09/37/893990937.db2.gz JDHDKRINTBTPAE-SNVBAGLBSA-N 0 3 294.373 -1.866 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C1CS(=O)(=O)C1 ZINC001507199630 893992339 /nfs/dbraw/zinc/99/23/39/893992339.db2.gz OOKUCUDFPWMFMG-VIFPVBQESA-N 0 3 280.346 -2.256 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](CO)NCCO)S(C)(=O)=O ZINC001507202356 893992866 /nfs/dbraw/zinc/99/28/66/893992866.db2.gz NMUSXOHFBPMHFD-YUMQZZPRSA-N 0 3 268.335 -2.522 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@H]1CCCC(=O)N1 ZINC001507199532 893992902 /nfs/dbraw/zinc/99/29/02/893992902.db2.gz DLZKYCXSBSDKCE-VHSXEESVSA-N 0 3 273.333 -1.632 20 0 CAADHN C[C@H](C(=O)NC[C@@H](CO)NCCO)S(C)(=O)=O ZINC001507202355 893993190 /nfs/dbraw/zinc/99/31/90/893993190.db2.gz NMUSXOHFBPMHFD-SFYZADRCSA-N 0 3 268.335 -2.522 20 0 CAADHN COCCN[C@H](CO)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001507208080 893997495 /nfs/dbraw/zinc/99/74/95/893997495.db2.gz XBANBUMXFLPZEP-GWCFXTLKSA-N 0 3 287.360 -1.384 20 0 CAADHN C[C@H](O)CN[C@H](CO)CNC(=O)C(=O)NCC(F)F ZINC001507211336 893997670 /nfs/dbraw/zinc/99/76/70/893997670.db2.gz KOCNXRAZHSEMSP-BQBZGAKWSA-N 0 3 283.275 -2.185 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001507208082 893997965 /nfs/dbraw/zinc/99/79/65/893997965.db2.gz XBANBUMXFLPZEP-MFKMUULPSA-N 0 3 287.360 -1.384 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1coc(C(N)=O)c1 ZINC001507217523 893999181 /nfs/dbraw/zinc/99/91/81/893999181.db2.gz ATBKFZVBUIJDJG-VIFPVBQESA-N 0 3 285.300 -1.295 20 0 CAADHN COCC[NH2+][C@@H](CO)CNC(=O)c1c(C)nc[n-]c1=O ZINC001507226428 894004067 /nfs/dbraw/zinc/00/40/67/894004067.db2.gz KLUJTVNRGPWBOC-SECBINFHSA-N 0 3 284.316 -1.183 20 0 CAADHN CC(C)OCCN[C@H](CO)CNC(=O)[C@H]1CNC(=O)N1 ZINC001507227842 894007580 /nfs/dbraw/zinc/00/75/80/894007580.db2.gz AFFXFQYABQZUGZ-VHSXEESVSA-N 0 3 288.348 -1.841 20 0 CAADHN Cn1ccc(CN[C@H](CO)CNC(=O)C(N)=O)cc1=O ZINC001507233096 894010937 /nfs/dbraw/zinc/01/09/37/894010937.db2.gz RZKUPBQBOVPOEZ-VIFPVBQESA-N 0 3 282.300 -2.563 20 0 CAADHN O=C(NC[C@@H](CO)NCc1cnon1)c1[nH]ncc1F ZINC001507235324 894012919 /nfs/dbraw/zinc/01/29/19/894012919.db2.gz PIXWYAOZTNSNOB-ZETCQYMHSA-N 0 3 284.251 -1.188 20 0 CAADHN CN(C)C(=O)CN[C@@H](CO)CNC(=O)CCc1cn[nH]n1 ZINC001507239936 894014918 /nfs/dbraw/zinc/01/49/18/894014918.db2.gz OXBRDYNZYNELFE-SNVBAGLBSA-N 0 3 298.347 -2.108 20 0 CAADHN CN(C)C(=O)CN[C@@H](CO)CNC(=O)CCc1c[nH]nn1 ZINC001507239936 894014930 /nfs/dbraw/zinc/01/49/30/894014930.db2.gz OXBRDYNZYNELFE-SNVBAGLBSA-N 0 3 298.347 -2.108 20 0 CAADHN Cc1cnc(CN[C@@H](CO)CNC(=O)c2nc[nH]n2)cn1 ZINC001507238451 894015177 /nfs/dbraw/zinc/01/51/77/894015177.db2.gz JMGXPVIBGZYBAH-SNVBAGLBSA-N 0 3 291.315 -1.216 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H](CO)NCCO)CCCS1(=O)=O ZINC001507246656 894020112 /nfs/dbraw/zinc/02/01/12/894020112.db2.gz PEZDWTIKVWBUEE-ONGXEEELSA-N 0 3 294.373 -1.987 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)Cc1cncn1C ZINC001507252343 894029317 /nfs/dbraw/zinc/02/93/17/894029317.db2.gz JFFRUOGBXLNKBP-SNVBAGLBSA-N 0 3 270.333 -1.324 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@H](CO)NCCn1cncn1 ZINC001507273632 894031574 /nfs/dbraw/zinc/03/15/74/894031574.db2.gz HRCOEOGBAITCML-SNVBAGLBSA-N 0 3 293.331 -1.310 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(C)=O)[C@H]1C ZINC001507274718 894031827 /nfs/dbraw/zinc/03/18/27/894031827.db2.gz ZBZVCJOCFRPQTN-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN O=C(CN1CCCC1)NC[C@@H](CO)N[C@@H]1CCNC1=O ZINC001507262757 894032150 /nfs/dbraw/zinc/03/21/50/894032150.db2.gz ZSFQOBFUDMIBRN-WDEREUQCSA-N 0 3 284.360 -1.963 20 0 CAADHN C[C@H](CS(C)(=O)=O)C(=O)NC[C@@H](CO)NCCO ZINC001507265707 894032926 /nfs/dbraw/zinc/03/29/26/894032926.db2.gz SWIGTXFQSAEZLK-BDAKNGLRSA-N 0 3 282.362 -2.274 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001507263177 894033860 /nfs/dbraw/zinc/03/38/60/894033860.db2.gz RBBGOWZKUTZEBV-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C[C@@H]1C ZINC001507302312 894036935 /nfs/dbraw/zinc/03/69/35/894036935.db2.gz WEFMQUJRRQQJAG-CBAPKCEASA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC001507276979 894037062 /nfs/dbraw/zinc/03/70/62/894037062.db2.gz GQUZNPZTOHVGGQ-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCCNC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@@H]1C ZINC001507289871 894037538 /nfs/dbraw/zinc/03/75/38/894037538.db2.gz LEISXKPSBMPSCR-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001507288146 894037582 /nfs/dbraw/zinc/03/75/82/894037582.db2.gz CVMZANXPBZHKCR-DTWKUNHWSA-N 0 3 270.333 -1.425 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCn2cnnn2)[C@@H]1C ZINC001507291251 894038488 /nfs/dbraw/zinc/03/84/88/894038488.db2.gz ZEAKKFWUCZXSMQ-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001507289872 894038592 /nfs/dbraw/zinc/03/85/92/894038592.db2.gz LEISXKPSBMPSCR-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2ncn(C)n2)[C@@H]1C ZINC001507277994 894038858 /nfs/dbraw/zinc/03/88/58/894038858.db2.gz KPGWKTGILYKUEY-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](NCC(=O)NC(N)=O)C[C@H]1C ZINC001507302311 894040750 /nfs/dbraw/zinc/04/07/50/894040750.db2.gz WEFMQUJRRQQJAG-APPZFPTMSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@H](NCC(N)=O)[C@H]1C ZINC001507276982 894041110 /nfs/dbraw/zinc/04/11/10/894041110.db2.gz GQUZNPZTOHVGGQ-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cn[nH]c1 ZINC001507465234 894042471 /nfs/dbraw/zinc/04/24/71/894042471.db2.gz HWIJUDWXXCZMDF-QMMMGPOBSA-N 0 3 255.278 -2.083 20 0 CAADHN CCOCC(=O)N(C)C[C@@H](O)CN[C@H](C)C(=O)NC ZINC001507462490 894042541 /nfs/dbraw/zinc/04/25/41/894042541.db2.gz WNLLKGYBKMLLDC-ZJUUUORDSA-N 0 3 275.349 -1.434 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)c1cc[nH]n1)C(N)=O ZINC001507464882 894042681 /nfs/dbraw/zinc/04/26/81/894042681.db2.gz DRMCAFMMRLAFMN-JGVFFNPUSA-N 0 3 269.305 -1.694 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)CNC(=O)C1CC1 ZINC001507465219 894043158 /nfs/dbraw/zinc/04/31/58/894043158.db2.gz HSXXVSWRUOACLB-SECBINFHSA-N 0 3 286.332 -2.593 20 0 CAADHN CCCC(=O)N(C)C[C@@H](O)CN[C@@H](C)C(=O)NC(N)=O ZINC001507462643 894043669 /nfs/dbraw/zinc/04/36/69/894043669.db2.gz QUMFJDDNQWKDRK-IUCAKERBSA-N 0 3 288.348 -1.221 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](O)CN[C@H](C)C(N)=O ZINC001507459858 894043802 /nfs/dbraw/zinc/04/38/02/894043802.db2.gz HDFQGALBXIEVDA-VXNVDRBHSA-N 0 3 274.321 -2.595 20 0 CAADHN CC[C@@H](F)CNC[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001507464458 894043880 /nfs/dbraw/zinc/04/38/80/894043880.db2.gz ZDIMSZAJHADYDF-ZJUUUORDSA-N 0 3 288.327 -1.170 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cnccn1 ZINC001507460012 894044369 /nfs/dbraw/zinc/04/43/69/894044369.db2.gz HUZDWEZXCYCNMC-QMMMGPOBSA-N 0 3 267.289 -2.016 20 0 CAADHN CC[C@H](F)CNC[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001507464456 894044686 /nfs/dbraw/zinc/04/46/86/894044686.db2.gz ZDIMSZAJHADYDF-UWVGGRQHSA-N 0 3 288.327 -1.170 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)Cn1cnnn1 ZINC001507463658 894044767 /nfs/dbraw/zinc/04/47/67/894044767.db2.gz JLBMTINJKLAXKD-DTWKUNHWSA-N 0 3 297.319 -3.030 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507461866 894044800 /nfs/dbraw/zinc/04/48/00/894044800.db2.gz RVKWPBJBTCZICG-CBAPKCEASA-N 0 3 274.321 -2.595 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C1CC1 ZINC001507457712 894044991 /nfs/dbraw/zinc/04/49/91/894044991.db2.gz NMVUYEAIDAUASZ-UWVGGRQHSA-N 0 3 255.318 -1.306 20 0 CAADHN CCO[C@@H](C)C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507464555 894045157 /nfs/dbraw/zinc/04/51/57/894045157.db2.gz ATXOEEAZSYSQBB-IUCAKERBSA-N 0 3 261.322 -1.694 20 0 CAADHN CC[C@@H](F)CNC[C@@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001507464455 894045438 /nfs/dbraw/zinc/04/54/38/894045438.db2.gz ZDIMSZAJHADYDF-NXEZZACHSA-N 0 3 288.327 -1.170 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)C1CC1 ZINC001507457714 894045477 /nfs/dbraw/zinc/04/54/77/894045477.db2.gz NMVUYEAIDAUASZ-ZJUUUORDSA-N 0 3 255.318 -1.306 20 0 CAADHN C[C@H](NC[C@H](O)CN(C)C(=O)c1cc[nH]n1)C(N)=O ZINC001507464885 894045531 /nfs/dbraw/zinc/04/55/31/894045531.db2.gz DRMCAFMMRLAFMN-YUMQZZPRSA-N 0 3 269.305 -1.694 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1cn[nH]c1 ZINC001507465233 894045675 /nfs/dbraw/zinc/04/56/75/894045675.db2.gz HWIJUDWXXCZMDF-MRVPVSSYSA-N 0 3 255.278 -2.083 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)COC ZINC001507456478 894045914 /nfs/dbraw/zinc/04/59/14/894045914.db2.gz IYKDDTHWXVLOHE-SNVBAGLBSA-N 0 3 275.349 -1.480 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001507461867 894046735 /nfs/dbraw/zinc/04/67/35/894046735.db2.gz RVKWPBJBTCZICG-IONNQARKSA-N 0 3 274.321 -2.595 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cccc(=O)[nH]1 ZINC001507471540 894047529 /nfs/dbraw/zinc/04/75/29/894047529.db2.gz REZFRRIQOUOZDM-QMMMGPOBSA-N 0 3 282.300 -1.705 20 0 CAADHN CN(C)C(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCOC1 ZINC001507468262 894047857 /nfs/dbraw/zinc/04/78/57/894047857.db2.gz RYUBTTIYHOKIAO-WDEREUQCSA-N 0 3 287.360 -1.480 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cocn1)C(N)=O ZINC001507469874 894047888 /nfs/dbraw/zinc/04/78/88/894047888.db2.gz CRKLJRSNMPRBIN-SFYZADRCSA-N 0 3 270.289 -1.429 20 0 CAADHN C[C@H](NC[C@@H](O)CN(C)C(=O)CCn1cccn1)C(N)=O ZINC001507466586 894048176 /nfs/dbraw/zinc/04/81/76/894048176.db2.gz PJIYWVDJBDBDMF-WDEREUQCSA-N 0 3 297.359 -1.444 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)OC ZINC001507466002 894048333 /nfs/dbraw/zinc/04/83/33/894048333.db2.gz CRANRFZNFAGIPG-DTWKUNHWSA-N 0 3 261.322 -1.824 20 0 CAADHN Cc1ccncc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507472395 894048368 /nfs/dbraw/zinc/04/83/68/894048368.db2.gz ZFVLUSSHAWMULE-JTQLQIEISA-N 0 3 280.328 -1.102 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)CNC(=O)OC ZINC001507467831 894048649 /nfs/dbraw/zinc/04/86/49/894048649.db2.gz ZTPKMIIUGVHCJV-MRVPVSSYSA-N 0 3 290.320 -2.503 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)CCn1cccn1)C(N)=O ZINC001507466536 894049123 /nfs/dbraw/zinc/04/91/23/894049123.db2.gz PJIYWVDJBDBDMF-MNOVXSKESA-N 0 3 297.359 -1.444 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@H]1COCCO1 ZINC001507466448 894049162 /nfs/dbraw/zinc/04/91/62/894049162.db2.gz PIEXRXKHKONEAS-NXEZZACHSA-N 0 3 264.297 -1.220 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cocn1)C(N)=O ZINC001507469866 894049422 /nfs/dbraw/zinc/04/94/22/894049422.db2.gz CRKLJRSNMPRBIN-HTQZYQBOSA-N 0 3 270.289 -1.429 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)CCn1cccn1)C(N)=O ZINC001507466535 894049516 /nfs/dbraw/zinc/04/95/16/894049516.db2.gz PJIYWVDJBDBDMF-GHMZBOCLSA-N 0 3 297.359 -1.444 20 0 CAADHN CC[C@@H](NC[C@@H](O)CN(C)C(=O)CC(N)=O)C(N)=O ZINC001507468841 894051558 /nfs/dbraw/zinc/05/15/58/894051558.db2.gz CZPPEBZSORCLEX-HTQZYQBOSA-N 0 3 274.321 -2.465 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1cncc(F)c1 ZINC001507473161 894051302 /nfs/dbraw/zinc/05/13/02/894051302.db2.gz CAQHKFJGJDCRIR-JTQLQIEISA-N 0 3 284.291 -1.272 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@H]1COCCO1 ZINC001507466465 894051655 /nfs/dbraw/zinc/05/16/55/894051655.db2.gz PIEXRXKHKONEAS-VHSXEESVSA-N 0 3 264.297 -1.220 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H](C)OC ZINC001507466004 894051863 /nfs/dbraw/zinc/05/18/63/894051863.db2.gz CRANRFZNFAGIPG-IUCAKERBSA-N 0 3 261.322 -1.824 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H](C)n1cncn1 ZINC001507474210 894052371 /nfs/dbraw/zinc/05/23/71/894052371.db2.gz QAWPQEHBXVWOAQ-NXEZZACHSA-N 0 3 298.347 -2.006 20 0 CAADHN CN(C[C@H](O)CN[C@H]1CCNC1=O)C(=O)c1ccn(C)c1 ZINC001507476196 894053236 /nfs/dbraw/zinc/05/32/36/894053236.db2.gz WUFVWKODJXXCLW-NEPJUHHUSA-N 0 3 294.355 -1.064 20 0 CAADHN CC[C@@H](NC[C@H](O)CN(C)C(=O)c1cncnc1)C(N)=O ZINC001507475540 894053664 /nfs/dbraw/zinc/05/36/64/894053664.db2.gz OYXDWRQSLPZCRE-WDEREUQCSA-N 0 3 295.343 -1.237 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H](C)n1cncn1 ZINC001507474215 894053817 /nfs/dbraw/zinc/05/38/17/894053817.db2.gz QAWPQEHBXVWOAQ-VHSXEESVSA-N 0 3 298.347 -2.006 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CC1(C)C ZINC001507473854 894053963 /nfs/dbraw/zinc/05/39/63/894053963.db2.gz NKILTBHROWZKIF-DTWKUNHWSA-N 0 3 257.334 -1.073 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@H]1COC(=O)N1 ZINC001507477016 894054457 /nfs/dbraw/zinc/05/44/57/894054457.db2.gz IZOCMVNRQJTJFV-JGVFFNPUSA-N 0 3 263.269 -1.527 20 0 CAADHN CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)c1ccn(C)c1 ZINC001507476198 894055028 /nfs/dbraw/zinc/05/50/28/894055028.db2.gz WUFVWKODJXXCLW-NWDGAFQWSA-N 0 3 294.355 -1.064 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)c1cnn(C)c1N)C(N)=O ZINC001507474409 894055227 /nfs/dbraw/zinc/05/52/27/894055227.db2.gz GDPMAGRWEGRVPL-SFYZADRCSA-N 0 3 298.347 -2.101 20 0 CAADHN CC[C@H](NC[C@@H](O)CN(C)C(=O)c1cncnc1)C(N)=O ZINC001507475538 894055290 /nfs/dbraw/zinc/05/52/90/894055290.db2.gz OYXDWRQSLPZCRE-MNOVXSKESA-N 0 3 295.343 -1.237 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)Cc1cccnc1 ZINC001507473278 894055343 /nfs/dbraw/zinc/05/53/43/894055343.db2.gz HMLHLMPONZZRCE-LBPRGKRZSA-N 0 3 294.355 -1.221 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(C)ncn1 ZINC001507473528 894055613 /nfs/dbraw/zinc/05/56/13/894055613.db2.gz KLNHYYQXHCMGKP-JTQLQIEISA-N 0 3 295.343 -1.446 20 0 CAADHN Cc1c[nH]nc1C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C ZINC001507478766 894055669 /nfs/dbraw/zinc/05/56/69/894055669.db2.gz IDZTUQYGZBZEBC-SNVBAGLBSA-N 0 3 297.359 -1.171 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)c1cnn(C)c1N)C(N)=O ZINC001507474407 894055945 /nfs/dbraw/zinc/05/59/45/894055945.db2.gz GDPMAGRWEGRVPL-HTQZYQBOSA-N 0 3 298.347 -2.101 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001507492863 894056733 /nfs/dbraw/zinc/05/67/33/894056733.db2.gz QGBQRRFYSUCEHS-MRBYEJRBSA-N 0 3 299.371 -1.304 20 0 CAADHN COc1ccnc(C(=O)N(C)C[C@H](O)CNCC(N)=O)c1 ZINC001507496419 894056776 /nfs/dbraw/zinc/05/67/76/894056776.db2.gz TWSDZFLLMPODJF-SECBINFHSA-N 0 3 296.327 -1.402 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001507494995 894056985 /nfs/dbraw/zinc/05/69/85/894056985.db2.gz GLXKEEQVHQWYJU-IUCAKERBSA-N 0 3 276.312 -1.612 20 0 CAADHN Cc1ncccc1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001507499032 894058023 /nfs/dbraw/zinc/05/80/23/894058023.db2.gz FMXHHCIVENPPRB-SNVBAGLBSA-N 0 3 280.328 -1.102 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1c[nH]c(=O)n1C ZINC001507494867 894058108 /nfs/dbraw/zinc/05/81/08/894058108.db2.gz FDTXXEFBQFKOHD-SSDOTTSWSA-N 0 3 285.304 -2.367 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)c1csnn1 ZINC001507495236 894058152 /nfs/dbraw/zinc/05/81/52/894058152.db2.gz LISUYXIGFOQHMG-LURJTMIESA-N 0 3 273.318 -1.954 20 0 CAADHN CCc1n[nH]cc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507489904 894058355 /nfs/dbraw/zinc/05/83/55/894058355.db2.gz JBBNZHUNFUKCHF-QMMMGPOBSA-N 0 3 283.332 -1.520 20 0 CAADHN Cc1ncccc1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001507499031 894058745 /nfs/dbraw/zinc/05/87/45/894058745.db2.gz FMXHHCIVENPPRB-JTQLQIEISA-N 0 3 280.328 -1.102 20 0 CAADHN COc1cc(C(=O)N(C)C[C@@H](O)CNCC(N)=O)ccn1 ZINC001507490369 894058845 /nfs/dbraw/zinc/05/88/45/894058845.db2.gz SPOTWPCTAGVMMH-JTQLQIEISA-N 0 3 296.327 -1.402 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)CN1CCCNC1=O ZINC001507489540 894058883 /nfs/dbraw/zinc/05/88/83/894058883.db2.gz AGUFSOTXVPOYQA-SNVBAGLBSA-N 0 3 290.339 -1.220 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cc(F)c[nH]1 ZINC001507493340 894058938 /nfs/dbraw/zinc/05/89/38/894058938.db2.gz HQNXTOYVPKOFAP-VIFPVBQESA-N 0 3 286.307 -1.078 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)NC(N)=O ZINC001507497865 894059152 /nfs/dbraw/zinc/05/91/52/894059152.db2.gz SFVHGNOIVOBMDG-CIUDSAMLSA-N 0 3 286.332 -1.754 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)Cc1cnoc1 ZINC001507498374 894059347 /nfs/dbraw/zinc/05/93/47/894059347.db2.gz FBPCUFSYHVZMJL-VIFPVBQESA-N 0 3 270.289 -1.889 20 0 CAADHN COCC1(C(=O)N(C)C[C@H](O)CN[C@@H]2CCNC2=O)CC1 ZINC001507492739 894059676 /nfs/dbraw/zinc/05/96/76/894059676.db2.gz DEPWNJLGGPORBL-GHMZBOCLSA-N 0 3 299.371 -1.290 20 0 CAADHN Cc1n[nH]nc1C(=O)N(C)C[C@H](O)CN[C@H]1CCNC1=O ZINC001507495595 894059847 /nfs/dbraw/zinc/05/98/47/894059847.db2.gz LGCPDLMSSYGULZ-BDAKNGLRSA-N 0 3 296.331 -1.976 20 0 CAADHN Cc1cc(C)n(CC(=O)N(C)C[C@@H](O)CNCC(N)=O)n1 ZINC001507491006 894059966 /nfs/dbraw/zinc/05/99/66/894059966.db2.gz FQTIDBJTIAXBBG-NSHDSACASA-N 0 3 297.359 -1.606 20 0 CAADHN CC(C)NC(=O)CNC[C@@H](O)CN(C)C(=O)c1cn[nH]n1 ZINC001507490037 894060111 /nfs/dbraw/zinc/06/01/11/894060111.db2.gz MIEOBTUHZUNPQP-SECBINFHSA-N 0 3 298.347 -1.648 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1csnn1 ZINC001507495237 894060233 /nfs/dbraw/zinc/06/02/33/894060233.db2.gz LISUYXIGFOQHMG-ZCFIWIBFSA-N 0 3 273.318 -1.954 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](O)CN(C)C(=O)c1cnon1 ZINC001507511363 894061057 /nfs/dbraw/zinc/06/10/57/894061057.db2.gz QSYWYXIUUIRHQC-HTQZYQBOSA-N 0 3 285.304 -1.773 20 0 CAADHN Cc1cnoc1C(=O)N(C)C[C@@H](O)CN[C@H]1CCNC1=O ZINC001507511143 894061325 /nfs/dbraw/zinc/06/13/25/894061325.db2.gz JHCDWWIBVZMRRT-UWVGGRQHSA-N 0 3 296.327 -1.106 20 0 CAADHN Cc1cnoc1C(=O)N(C)C[C@@H](O)CN[C@@H]1CCNC1=O ZINC001507511144 894061667 /nfs/dbraw/zinc/06/16/67/894061667.db2.gz JHCDWWIBVZMRRT-VHSXEESVSA-N 0 3 296.327 -1.106 20 0 CAADHN CN(C[C@H](O)C[NH2+][C@@H]1CCCNC1=O)C(=O)c1nc[n-]n1 ZINC001507509798 894061985 /nfs/dbraw/zinc/06/19/85/894061985.db2.gz CJXSWTBAELINCI-RKDXNWHRSA-N 0 3 296.331 -1.894 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC12CC2 ZINC001507506410 894062190 /nfs/dbraw/zinc/06/21/90/894062190.db2.gz FBQZHYCUKAHNOH-ZJUUUORDSA-N 0 3 269.345 -1.059 20 0 CAADHN CN(C[C@H](O)CN[C@@H]1CCCNC1=O)C(=O)C(N)=O ZINC001507501838 894062879 /nfs/dbraw/zinc/06/28/79/894062879.db2.gz CRIWPEZRQLSUCN-HTQZYQBOSA-N 0 3 272.305 -2.841 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)[C@@]1(C)CCNC1=O ZINC001507504078 894062908 /nfs/dbraw/zinc/06/29/08/894062908.db2.gz NUTUEILXFIAPTD-SKDRFNHKSA-N 0 3 275.324 -1.109 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)c1cnn(C)n1 ZINC001507510135 894063063 /nfs/dbraw/zinc/06/30/63/894063063.db2.gz JLLMKMMSBHCPGV-QMMMGPOBSA-N 0 3 259.285 -1.193 20 0 CAADHN CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)c1nc[n-]n1)C(N)=O ZINC001507510179 894063273 /nfs/dbraw/zinc/06/32/73/894063273.db2.gz KMKXRNRHIMXYQG-YUMQZZPRSA-N 0 3 284.320 -1.909 20 0 CAADHN CCN(CC)C(=O)CNC[C@H](O)CN(C)C(=O)C(N)=O ZINC001507502035 894063494 /nfs/dbraw/zinc/06/34/94/894063494.db2.gz DQOVRCXLILRXNC-VIFPVBQESA-N 0 3 288.348 -2.251 20 0 CAADHN CNC(=O)CNC[C@H](O)CN(C)C(=O)c1cn(C)c(=O)[nH]1 ZINC001507502770 894063808 /nfs/dbraw/zinc/06/38/08/894063808.db2.gz ODNJOJYEJKPUBB-QMMMGPOBSA-N 0 3 299.331 -2.106 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N1CCC1)C(=O)C(N)=O ZINC001507503181 894063984 /nfs/dbraw/zinc/06/39/84/894063984.db2.gz XQTNAVOJIXGMEE-MRVPVSSYSA-N 0 3 272.305 -2.887 20 0 CAADHN CN(C[C@H](O)C[NH2+][C@H]1CCCNC1=O)C(=O)c1nc[n-]n1 ZINC001507509795 894064222 /nfs/dbraw/zinc/06/42/22/894064222.db2.gz CJXSWTBAELINCI-BDAKNGLRSA-N 0 3 296.331 -1.894 20 0 CAADHN Cc1ncccc1CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001507503555 894064333 /nfs/dbraw/zinc/06/43/33/894064333.db2.gz DVFVVVOGEQOTMC-GFCCVEGCSA-N 0 3 294.355 -1.173 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H](O)CN(C)C(=O)c1[nH]cnc1C ZINC001507577686 894065694 /nfs/dbraw/zinc/06/56/94/894065694.db2.gz RQFKKVLKHIEIBS-UWVGGRQHSA-N 0 3 297.359 -1.125 20 0 CAADHN CCNC(=O)CNC[C@H](O)CN(C)C(=O)c1ncccn1 ZINC001507518511 894065722 /nfs/dbraw/zinc/06/57/22/894065722.db2.gz ZNACTSZXTLRBMY-JTQLQIEISA-N 0 3 295.343 -1.365 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)c1[nH]cnc1C ZINC001507577687 894066936 /nfs/dbraw/zinc/06/69/36/894066936.db2.gz RQFKKVLKHIEIBS-VHSXEESVSA-N 0 3 297.359 -1.125 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)Cn1cnnn1 ZINC001507586211 894067103 /nfs/dbraw/zinc/06/71/03/894067103.db2.gz LITOCWWITCZCBD-JTQLQIEISA-N 0 3 286.336 -1.929 20 0 CAADHN CNC(=O)CNC[C@@H](O)CN(C)C(=O)c1ccnc(C)n1 ZINC001507562523 894067772 /nfs/dbraw/zinc/06/77/72/894067772.db2.gz LLWYZGYXHNQAMM-SNVBAGLBSA-N 0 3 295.343 -1.446 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H](C)NC(C)=O ZINC001507584787 894069130 /nfs/dbraw/zinc/06/91/30/894069130.db2.gz AAPHFURCQAWWNS-CMPLNLGQSA-N 0 3 289.376 -1.092 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001507584801 894069301 /nfs/dbraw/zinc/06/93/01/894069301.db2.gz AAPHFURCQAWWNS-PWSUYJOCSA-N 0 3 289.376 -1.092 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H](C)NC(C)=O ZINC001507584803 894070268 /nfs/dbraw/zinc/07/02/68/894070268.db2.gz AAPHFURCQAWWNS-ZYHUDNBSSA-N 0 3 289.376 -1.092 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N(C)C[C@H](O)CN(C)CCO ZINC001507696125 894070739 /nfs/dbraw/zinc/07/07/39/894070739.db2.gz OSMDVBVIVJZSEP-VXGBXAGGSA-N 0 3 289.376 -1.356 20 0 CAADHN CN(CCn1cncn1)C[C@H](O)CN(C)C(=O)CC(N)=O ZINC001507601802 894071140 /nfs/dbraw/zinc/07/11/40/894071140.db2.gz BKCJKKXRINTJRY-JTQLQIEISA-N 0 3 298.347 -2.095 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)Cc1ccon1 ZINC001507602798 894072880 /nfs/dbraw/zinc/07/28/80/894072880.db2.gz ILHFTKFWRORIIH-LLVKDONJSA-N 0 3 271.317 -1.040 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001507657561 894074174 /nfs/dbraw/zinc/07/41/74/894074174.db2.gz PVEPNPXCKNEXNC-GHMZBOCLSA-N 0 3 287.360 -1.744 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)C(=O)NCC(F)F ZINC001507657815 894075045 /nfs/dbraw/zinc/07/50/45/894075045.db2.gz RTXUUBFSAFAIEO-MRVPVSSYSA-N 0 3 297.302 -1.889 20 0 CAADHN CN(CCn1cncn1)C[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001507601807 894075154 /nfs/dbraw/zinc/07/51/54/894075154.db2.gz BKCJKKXRINTJRY-SNVBAGLBSA-N 0 3 298.347 -2.095 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)C(=O)NCC(F)F ZINC001507657816 894075466 /nfs/dbraw/zinc/07/54/66/894075466.db2.gz RTXUUBFSAFAIEO-QMMMGPOBSA-N 0 3 297.302 -1.889 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001507657562 894075516 /nfs/dbraw/zinc/07/55/16/894075516.db2.gz PVEPNPXCKNEXNC-MNOVXSKESA-N 0 3 287.360 -1.744 20 0 CAADHN CN(C[C@H](O)C[N@H+](C)CCO)C(=O)CCc1nnc[n-]1 ZINC001507611156 894075911 /nfs/dbraw/zinc/07/59/11/894075911.db2.gz FRAQQQZRLVVSOJ-SNVBAGLBSA-N 0 3 285.348 -1.519 20 0 CAADHN CN(C[C@H](O)C[N@@H+](C)CCO)C(=O)CCc1nnc[n-]1 ZINC001507611156 894075930 /nfs/dbraw/zinc/07/59/30/894075930.db2.gz FRAQQQZRLVVSOJ-SNVBAGLBSA-N 0 3 285.348 -1.519 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001507657563 894076694 /nfs/dbraw/zinc/07/66/94/894076694.db2.gz PVEPNPXCKNEXNC-QWRGUYRKSA-N 0 3 287.360 -1.744 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)Cn1cnnn1)C(C)(C)C ZINC001507888482 894078308 /nfs/dbraw/zinc/07/83/08/894078308.db2.gz JPCZAHRVOKIGDB-SECBINFHSA-N 0 3 297.363 -1.460 20 0 CAADHN CC(C)(C)[C@@H](CNCC(=O)NC1CC1)NC(=O)C(N)=O ZINC001508015976 894079359 /nfs/dbraw/zinc/07/93/59/894079359.db2.gz JAYYQYWVCXSXMP-SECBINFHSA-N 0 3 284.360 -1.129 20 0 CAADHN COCCN(CCNC(=O)c1c[nH]c(=O)cn1)C[C@H](C)O ZINC001508049706 894082710 /nfs/dbraw/zinc/08/27/10/894082710.db2.gz JSYBAXYNHCMFRX-JTQLQIEISA-N 0 3 298.343 -1.171 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N(C)CCOCCNCC(N)=O ZINC001508176890 894085939 /nfs/dbraw/zinc/08/59/39/894085939.db2.gz AZYSJOBYGZELQS-UHFFFAOYSA-N 0 3 299.331 -1.413 20 0 CAADHN Cc1c(C(=O)N(C)CCOCCNCC(N)=O)nnn1C ZINC001508174078 894087272 /nfs/dbraw/zinc/08/72/72/894087272.db2.gz SHHISZVEPFNYSX-UHFFFAOYSA-N 0 3 298.347 -1.713 20 0 CAADHN CCN(CC)CC(=O)N[C@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001508566051 894088554 /nfs/dbraw/zinc/08/85/54/894088554.db2.gz DTWJFMNWFQSXTA-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](C)[C@H](C)NC(=O)C(N)=O ZINC001508566050 894088588 /nfs/dbraw/zinc/08/85/88/894088588.db2.gz DTWJFMNWFQSXTA-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](C)[C@@H](C)NC(=O)C(N)=O ZINC001508566049 894090215 /nfs/dbraw/zinc/09/02/15/894090215.db2.gz DTWJFMNWFQSXTA-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN CCN(CC)CC(=O)N[C@H](C)[C@H](C)NC(=O)C(N)=O ZINC001508566048 894090807 /nfs/dbraw/zinc/09/08/07/894090807.db2.gz DTWJFMNWFQSXTA-BDAKNGLRSA-N 0 3 272.349 -1.177 20 0 CAADHN CC(C)N(C)CC(=O)N(C)[C@@H](C)CNC(=O)C(N)=O ZINC001509058374 894095506 /nfs/dbraw/zinc/09/55/06/894095506.db2.gz WRANFPJMESNBMK-VIFPVBQESA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001509058953 894098379 /nfs/dbraw/zinc/09/83/79/894098379.db2.gz YUKHCPWAQHMYEC-IUCAKERBSA-N 0 3 270.333 -1.471 20 0 CAADHN CCN(C)C(C)(C)C(=O)N[C@H](CO)CNC(=O)C(N)=O ZINC001511094742 894149455 /nfs/dbraw/zinc/14/94/55/894149455.db2.gz XEWCDCXMTFQYBG-QMMMGPOBSA-N 0 3 288.348 -2.205 20 0 CAADHN CCN(C)C(C)(C)C(=O)N[C@@H](CO)CNC(=O)C(N)=O ZINC001511094731 894149502 /nfs/dbraw/zinc/14/95/02/894149502.db2.gz XEWCDCXMTFQYBG-MRVPVSSYSA-N 0 3 288.348 -2.205 20 0 CAADHN CCCN(C)CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@@H]1C ZINC001511192464 894152775 /nfs/dbraw/zinc/15/27/75/894152775.db2.gz OYVTZKCAEJFQTR-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001512954325 894173278 /nfs/dbraw/zinc/17/32/78/894173278.db2.gz NWSDKSYTUDIXOQ-RKDXNWHRSA-N 0 3 286.332 -2.499 20 0 CAADHN COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)CNC1CC1 ZINC001514776732 894183186 /nfs/dbraw/zinc/18/31/86/894183186.db2.gz SJNLZCVJJQHPRZ-VIFPVBQESA-N 0 3 269.301 -1.419 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CN2CCC1CC2 ZINC001514565360 894183364 /nfs/dbraw/zinc/18/33/64/894183364.db2.gz KLFPEHRHCYVVLQ-DTWKUNHWSA-N 0 3 266.301 -1.205 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N[C@H](CO)CN1CCCC1 ZINC001520007217 894191392 /nfs/dbraw/zinc/19/13/92/894191392.db2.gz OTUUWITZLZFBRY-JTQLQIEISA-N 0 3 283.328 -1.292 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001520902317 894198242 /nfs/dbraw/zinc/19/82/42/894198242.db2.gz ABMBUNYJPALHRV-ZJUUUORDSA-N 0 3 266.305 -1.348 20 0 CAADHN CN1CCNC[C@@H]1C(=O)NCCNc1cnccn1 ZINC001521439355 894205388 /nfs/dbraw/zinc/20/53/88/894205388.db2.gz OTRKNGNOIFSHCD-SNVBAGLBSA-N 0 3 264.333 -1.092 20 0 CAADHN CC(C)(O)[C@H](N)C(=O)NCCCN1CCOCC1 ZINC001521408601 894206324 /nfs/dbraw/zinc/20/63/24/894206324.db2.gz MXOSTVOMRAWSBX-SNVBAGLBSA-N 0 3 259.350 -1.077 20 0 CAADHN CCc1nncn1CCNC(=O)[C@@H]1CNCCN1C ZINC001521489788 894208251 /nfs/dbraw/zinc/20/82/51/894208251.db2.gz PJBQZJZHXVXZFV-JTQLQIEISA-N 0 3 266.349 -1.140 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N[C@@H]1COC2(CNC2)C1 ZINC001521976045 894211959 /nfs/dbraw/zinc/21/19/59/894211959.db2.gz VDFLZBBCTKZFBD-IUCAKERBSA-N 0 3 253.302 -1.146 20 0 CAADHN CN(C)c1noc(CNC(=O)[C@@H]2CNCCN2C)n1 ZINC001521680459 894212676 /nfs/dbraw/zinc/21/26/76/894212676.db2.gz KVMUTJICYPCVLZ-QMMMGPOBSA-N 0 3 268.321 -1.345 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2COC3(CNC3)C2)CCC1 ZINC001521975621 894213807 /nfs/dbraw/zinc/21/38/07/894213807.db2.gz SZGAMKMMOQEQRE-QMMMGPOBSA-N 0 3 253.302 -1.111 20 0 CAADHN O=C(NC[C@H]1CNCCO1)c1cc2n(n1)CCO2 ZINC001521697571 894214220 /nfs/dbraw/zinc/21/42/20/894214220.db2.gz KRINOFGTXAGYNV-MRVPVSSYSA-N 0 3 252.274 -1.006 20 0 CAADHN CC[C@@H](C(=O)N(C)CCCNC(=O)C(N)=O)N(C)C ZINC001523742134 894271396 /nfs/dbraw/zinc/27/13/96/894271396.db2.gz QZNXQOZBSZYZCQ-VIFPVBQESA-N 0 3 272.349 -1.223 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N[C@@H]1C(=O)NCC1(C)C ZINC001522481434 894220696 /nfs/dbraw/zinc/22/06/96/894220696.db2.gz HOXVYFGSVBUBSN-RKDXNWHRSA-N 0 3 254.334 -1.469 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNC(=O)Cn2cnnn2)C1 ZINC001522509492 894228013 /nfs/dbraw/zinc/22/80/13/894228013.db2.gz JJKKKDGIYIJGJE-JTQLQIEISA-N 0 3 295.347 -1.753 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@@H]1COC(=O)N1)N(C)C ZINC001522613085 894239337 /nfs/dbraw/zinc/23/93/37/894239337.db2.gz VULLOGGHTNOGTA-IUCAKERBSA-N 0 3 286.332 -1.333 20 0 CAADHN CC[C@H](C(=O)NCCNC(=O)[C@@H]1COC(=O)N1)N(C)C ZINC001522613082 894240596 /nfs/dbraw/zinc/24/05/96/894240596.db2.gz VULLOGGHTNOGTA-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@H]1COC(=O)N1)N(C)C ZINC001522613079 894241836 /nfs/dbraw/zinc/24/18/36/894241836.db2.gz VULLOGGHTNOGTA-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN CCCN(C)CC(=O)NCCNC(=O)Cn1ncnn1 ZINC001522661475 894243679 /nfs/dbraw/zinc/24/36/79/894243679.db2.gz YVDOLGINVMCPIF-UHFFFAOYSA-N 0 3 283.336 -1.753 20 0 CAADHN CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001522697283 894247016 /nfs/dbraw/zinc/24/70/16/894247016.db2.gz IZZDSQAUPCCJJS-ZJUUUORDSA-N 0 3 284.360 -1.320 20 0 CAADHN Cc1cncn1CC(=O)NCCNC(=O)Cc1nnc[nH]1 ZINC001522758725 894248276 /nfs/dbraw/zinc/24/82/76/894248276.db2.gz GEPDLDKNQNDIBK-UHFFFAOYSA-N 0 3 291.315 -1.215 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNC(=O)[C@H]2CCNC2=O)C1 ZINC001522784557 894249857 /nfs/dbraw/zinc/24/98/57/894249857.db2.gz GLWHLBFWCIYMHL-MNOVXSKESA-N 0 3 296.371 -1.303 20 0 CAADHN CCCN(C)CC(=O)NCCNC(=O)c1c[nH]c(=O)cn1 ZINC001522780095 894252986 /nfs/dbraw/zinc/25/29/86/894252986.db2.gz CCSOYMNCCGOKIK-UHFFFAOYSA-N 0 3 295.343 -1.042 20 0 CAADHN CS(=O)(=O)C1(C(=O)N2CCNCCNCC2)CCC1 ZINC001522999904 894261208 /nfs/dbraw/zinc/26/12/08/894261208.db2.gz RWADDRDGHYLEMS-UHFFFAOYSA-N 0 3 289.401 -1.025 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001523053781 894263493 /nfs/dbraw/zinc/26/34/93/894263493.db2.gz ONNSNSOLHQDDFM-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CNC(=O)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001524651144 894285435 /nfs/dbraw/zinc/28/54/35/894285435.db2.gz YESNAHPLNHBQBL-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC(N)=O)C[C@H]21 ZINC001526231061 894296603 /nfs/dbraw/zinc/29/66/03/894296603.db2.gz ZCQBFTWGFWXBBC-MSRIBSCDSA-N 0 3 296.371 -1.223 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](C)NC(=O)CNC(N)=O ZINC001526845641 894303772 /nfs/dbraw/zinc/30/37/72/894303772.db2.gz ZVFKTYDAGOBCLJ-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001527107440 894309549 /nfs/dbraw/zinc/30/95/49/894309549.db2.gz AVTXCDHHSGWVTO-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H](CCNC(=O)C(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001527745799 894312244 /nfs/dbraw/zinc/31/22/44/894312244.db2.gz FYJIUVFGPMTGAZ-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)NCC(=O)NCCN(C)C(=O)[C@@H]1CCCN1C ZINC001527874207 894318053 /nfs/dbraw/zinc/31/80/53/894318053.db2.gz ZGHZORWYODKVKW-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CCN(CC)CC(=O)N(C)CCNC(=O)CC(N)=O ZINC001527998143 894320804 /nfs/dbraw/zinc/32/08/04/894320804.db2.gz AGEOBDMQVUAKNJ-UHFFFAOYSA-N 0 3 272.349 -1.222 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2cnn(CCO)c2)C1 ZINC001528110995 894325206 /nfs/dbraw/zinc/32/52/06/894325206.db2.gz VKZQSDIYFAUGHV-LBPRGKRZSA-N 0 3 268.317 -1.328 20 0 CAADHN CN(C)C1(C(=O)NCCN(C)C(=O)CC(N)=O)CCC1 ZINC001528278812 894326566 /nfs/dbraw/zinc/32/65/66/894326566.db2.gz ORKPTKDPVJAQQM-UHFFFAOYSA-N 0 3 284.360 -1.079 20 0 CAADHN CCN(CC)CC(=O)N(C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001528586168 894333314 /nfs/dbraw/zinc/33/33/14/894333314.db2.gz XGWHEUMUOIDZPW-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CN(CCNC(=O)Cn1cncn1)C(=O)CN1CCCC1 ZINC001528680866 894334432 /nfs/dbraw/zinc/33/44/32/894334432.db2.gz PBZORXKBMCMHEN-UHFFFAOYSA-N 0 3 294.359 -1.052 20 0 CAADHN CCN(CCNC(=O)C(N)=O)C(=O)[C@H]1CCCN1C ZINC001529069150 894343724 /nfs/dbraw/zinc/34/37/24/894343724.db2.gz FUZNOZLJZZWJSW-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)C2(C(N)=O)CC2)C1)N(C)C ZINC001530554681 894363764 /nfs/dbraw/zinc/36/37/64/894363764.db2.gz DWKHMEWYLFWBRH-JTQLQIEISA-N 0 3 296.371 -1.081 20 0 CAADHN CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001530609627 894365653 /nfs/dbraw/zinc/36/56/53/894365653.db2.gz DBRRGQMTPXQDKC-SNVBAGLBSA-N 0 3 297.359 -1.663 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C(N)=O ZINC001530955915 894374286 /nfs/dbraw/zinc/37/42/86/894374286.db2.gz NELDPXYXNVXVJC-UWVGGRQHSA-N 0 3 282.344 -1.376 20 0 CAADHN CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)NC(=O)C(N)=O ZINC001531485600 894382601 /nfs/dbraw/zinc/38/26/01/894382601.db2.gz GIDWECZRMDPFKV-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)CNC(=O)C1(N(C)C)CCC1 ZINC001532267574 894384966 /nfs/dbraw/zinc/38/49/66/894384966.db2.gz RRKVENUZISTLLG-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H]1CCCN1CC(=O)N(C)CCN(C)C(=O)C(N)=O ZINC001533040298 894390779 /nfs/dbraw/zinc/39/07/79/894390779.db2.gz HCEVDJHGTZKFLQ-JTQLQIEISA-N 0 3 284.360 -1.127 20 0 CAADHN CCN(C)C(C)(C)C(=O)NC[C@H](O)CNC(=O)COC ZINC001533151227 894397926 /nfs/dbraw/zinc/39/79/26/894397926.db2.gz FJKYREGSFRCLNK-SNVBAGLBSA-N 0 3 289.376 -1.044 20 0 CAADHN CCN(C)C(C)(C)C(=O)NC[C@@H](O)CNC(=O)COC ZINC001533151223 894398583 /nfs/dbraw/zinc/39/85/83/894398583.db2.gz FJKYREGSFRCLNK-JTQLQIEISA-N 0 3 289.376 -1.044 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](O)CNC(=O)c1cnon1 ZINC001533309283 894409718 /nfs/dbraw/zinc/40/97/18/894409718.db2.gz SGOITUIGINLXQC-VIFPVBQESA-N 0 3 299.331 -1.382 20 0 CAADHN CCCN(C)CC(=O)NC[C@H](O)CNC(=O)C(N)=O ZINC001533309601 894410343 /nfs/dbraw/zinc/41/03/43/894410343.db2.gz UIZAJWIKPFOGIZ-QMMMGPOBSA-N 0 3 274.321 -2.593 20 0 CAADHN CCCN1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C(N)=O ZINC001533766453 894419215 /nfs/dbraw/zinc/41/92/15/894419215.db2.gz XQAMCRKTZZDZMW-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H](C)CNC(=O)CC(N)=O ZINC001534191441 894423203 /nfs/dbraw/zinc/42/32/03/894423203.db2.gz BIENQVTZXSGPKI-VIFPVBQESA-N 0 3 272.349 -1.177 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CCCN1C ZINC001534651493 894428044 /nfs/dbraw/zinc/42/80/44/894428044.db2.gz KEHJONJAYHSCLC-RYUDHWBXSA-N 0 3 296.371 -1.066 20 0 CAADHN CC[C@H](C(=O)NC1(CNC(=O)C(N)=O)CC1)N(C)C ZINC001535880069 894439183 /nfs/dbraw/zinc/43/91/83/894439183.db2.gz BTFPJFIJGQPZDN-MRVPVSSYSA-N 0 3 270.333 -1.423 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N[C@@]23CCN(C2)CCC3)C1=O ZINC001544823442 894475877 /nfs/dbraw/zinc/47/58/77/894475877.db2.gz ROMQZGAVYHXWLL-ZDUSSCGKSA-N 0 3 294.311 -1.239 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1CCCC[C@@H]1CNC(N)=O ZINC001548538938 894486119 /nfs/dbraw/zinc/48/61/19/894486119.db2.gz XXZIIYXTVWOKNZ-MNOVXSKESA-N 0 3 283.376 -1.061 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)[C@H]1CNCCN1C ZINC001548554508 894486399 /nfs/dbraw/zinc/48/63/99/894486399.db2.gz VSYMGQCAHGAPFK-VXGBXAGGSA-N 0 3 270.377 -1.273 20 0 CAADHN CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1CNCCN1C ZINC001548541905 894486418 /nfs/dbraw/zinc/48/64/18/894486418.db2.gz DTZXPXRMUNQKCL-UWVGGRQHSA-N 0 3 277.390 -1.171 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1CCCC[C@@H]1CNC(N)=O ZINC001548538908 894486639 /nfs/dbraw/zinc/48/66/39/894486639.db2.gz XXZIIYXTVWOKNZ-GHMZBOCLSA-N 0 3 283.376 -1.061 20 0 CAADHN CC(=O)N1CCN(CCNC(=O)[C@H]2CNCCN2C)CC1 ZINC001548548967 894486829 /nfs/dbraw/zinc/48/68/29/894486829.db2.gz SNMCYQUUFQEVGE-CYBMUJFWSA-N 0 3 297.403 -1.830 20 0 CAADHN CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1CNCCN1C ZINC001548541902 894487241 /nfs/dbraw/zinc/48/72/41/894487241.db2.gz DTZXPXRMUNQKCL-NXEZZACHSA-N 0 3 277.390 -1.171 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1CCCC[C@H]1CNC(N)=O ZINC001548538939 894487257 /nfs/dbraw/zinc/48/72/57/894487257.db2.gz XXZIIYXTVWOKNZ-QWRGUYRKSA-N 0 3 283.376 -1.061 20 0 CAADHN COCCN1C[C@H](C(=O)N[C@@H]2COC3(CNC3)C2)CC1=O ZINC001548569766 894489834 /nfs/dbraw/zinc/48/98/34/894489834.db2.gz JBUDESKMNPOQDJ-MNOVXSKESA-N 0 3 297.355 -1.272 20 0 CAADHN O=C(N[C@@H]1COC2(CNC2)C1)c1ccc2nnnn2c1 ZINC001548569181 894490101 /nfs/dbraw/zinc/49/01/01/894490101.db2.gz NTBTYHLYCQZNAW-VIFPVBQESA-N 0 3 274.284 -1.015 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001548726883 894497153 /nfs/dbraw/zinc/49/71/53/894497153.db2.gz OLDGGXWSWBTPDH-XJFOESAGSA-N 0 3 294.399 -1.348 20 0 CAADHN COCc1n[nH]c(CNC(=O)[C@H]2CN3CCN2C[C@@H]3C)n1 ZINC001548727888 894497536 /nfs/dbraw/zinc/49/75/36/894497536.db2.gz OLRZJEYOUNBRLU-VHSXEESVSA-N 0 3 294.359 -1.044 20 0 CAADHN C[C@@H]1CN2CCN1C[C@@H]2C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001548725143 894499365 /nfs/dbraw/zinc/49/93/65/894499365.db2.gz OLOXLMAJKOLYLA-MRVWCRGKSA-N 0 3 294.399 -1.348 20 0 CAADHN C[C@@H]1CN2CCN1C[C@H]2C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001548726882 894499671 /nfs/dbraw/zinc/49/96/71/894499671.db2.gz OLDGGXWSWBTPDH-RQJABVFESA-N 0 3 294.399 -1.348 20 0 CAADHN Cn1ccnc1[C@H]1CNCCN1C(=O)[C@@H]1CNCCO1 ZINC001549043872 894507689 /nfs/dbraw/zinc/50/76/89/894507689.db2.gz REHGZOHOTYUWCU-MNOVXSKESA-N 0 3 279.344 -1.119 20 0 CAADHN O=C([C@@H]1COCCN1)N1CC[C@H]2OCCN[C@@H]2C1 ZINC001549045159 894507795 /nfs/dbraw/zinc/50/77/95/894507795.db2.gz ZCPGNAPIFDJCMK-OUAUKWLOSA-N 0 3 255.318 -1.436 20 0 CAADHN Cn1ccnc1[C@@H]1CNCCN1C(=O)[C@@H]1CNCCO1 ZINC001549043874 894507866 /nfs/dbraw/zinc/50/78/66/894507866.db2.gz REHGZOHOTYUWCU-QWRGUYRKSA-N 0 3 279.344 -1.119 20 0 CAADHN O=C([C@@H]1CNCCO1)N1CC[C@H]2OCCN[C@@H]2C1 ZINC001549044830 894507912 /nfs/dbraw/zinc/50/79/12/894507912.db2.gz KWUIFHATNKTRLQ-MXWKQRLJSA-N 0 3 255.318 -1.436 20 0 CAADHN O=C([C@@H]1CNCCO1)N1CC[C@@H]2OCCN[C@H]2C1 ZINC001549044829 894508566 /nfs/dbraw/zinc/50/85/66/894508566.db2.gz KWUIFHATNKTRLQ-DCAQKATOSA-N 0 3 255.318 -1.436 20 0 CAADHN Cn1nccc1[C@H]1[C@@H](NC(=O)CN)CC(=O)N1C ZINC001549047416 894512049 /nfs/dbraw/zinc/51/20/49/894512049.db2.gz JRMLJHFPNRSVTB-WRWORJQWSA-N 0 3 251.290 -1.233 20 0 CAADHN NCc1cn([C@H]2CCCN(C(=O)[C@H]3COCCN3)C2)nn1 ZINC001549047560 894512159 /nfs/dbraw/zinc/51/21/59/894512159.db2.gz SSRZCRCEQYHAOD-NWDGAFQWSA-N 0 3 294.359 -1.111 20 0 CAADHN O=C(N1CCC(n2ncc3c2CNC3)CC1)C1(O)CNC1 ZINC001549291980 894516078 /nfs/dbraw/zinc/51/60/78/894516078.db2.gz GIAYTLARDZRPTD-UHFFFAOYSA-N 0 3 291.355 -1.016 20 0 CAADHN CN(C)[C@H]1CN(Cc2nnn(C)n2)C[C@@H]1n1ccnn1 ZINC001549606814 894517427 /nfs/dbraw/zinc/51/74/27/894517427.db2.gz RLIGAXUUMYFCJV-UWVGGRQHSA-N 0 3 277.336 -1.211 20 0 CAADHN CNC(=O)CCN1C[C@@H](O)[C@@H](Oc2cnn(C)c2)C1 ZINC001549596705 894519509 /nfs/dbraw/zinc/51/95/09/894519509.db2.gz KLJYUDLXELTKOS-MNOVXSKESA-N 0 3 268.317 -1.020 20 0 CAADHN CNC(=O)CCN1C[C@@H](Oc2cnn(C)c2)[C@@H](O)C1 ZINC001549596710 894519971 /nfs/dbraw/zinc/51/99/71/894519971.db2.gz KLJYUDLXELTKOS-WDEREUQCSA-N 0 3 268.317 -1.020 20 0 CAADHN Cn1cnc([C@@H]2CN(C(=O)C3CS(=O)(=O)C3)C[C@H]2N)c1 ZINC001549731933 894521826 /nfs/dbraw/zinc/52/18/26/894521826.db2.gz BLUVDHSNNCSSDY-NXEZZACHSA-N 0 3 298.368 -1.282 20 0 CAADHN CC(=O)NCC(=O)N1CCCN(C(=O)[C@@H](C)N)CC1 ZINC001550074702 894527102 /nfs/dbraw/zinc/52/71/02/894527102.db2.gz BJZHRXOVTLUPPU-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CN1CCN([C@H]2CCN(C(=O)C3(O)CNC3)C2)CC1 ZINC001550116006 894528711 /nfs/dbraw/zinc/52/87/11/894528711.db2.gz IDRGUQRZAAVALK-NSHDSACASA-N 0 3 268.361 -1.831 20 0 CAADHN CN1CCN([C@@H]2CCN(C(=O)[C@@H]3CNCCO3)C2)CC1 ZINC001550115796 894528821 /nfs/dbraw/zinc/52/88/21/894528821.db2.gz FYWWRNNTBUEVNO-OLZOCXBDSA-N 0 3 282.388 -1.177 20 0 CAADHN CN1CC[C@H](N2CCC(NC(=O)C3(O)CNC3)CC2)C1=O ZINC001550092571 894529706 /nfs/dbraw/zinc/52/97/06/894529706.db2.gz IRXCMPVTUKHSEA-NSHDSACASA-N 0 3 296.371 -1.868 20 0 CAADHN C[C@@H]1OCCN[C@H]1C(=O)N1CC[C@H](n2cc(CN)nn2)C1 ZINC001550096580 894529791 /nfs/dbraw/zinc/52/97/91/894529791.db2.gz LPWOMWIWOMHQRZ-ZMLRMANQSA-N 0 3 294.359 -1.113 20 0 CAADHN CN1C[C@@H](C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC1=O ZINC001550094614 894529852 /nfs/dbraw/zinc/52/98/52/894529852.db2.gz VGVKOOSIYYERAJ-ONGXEEELSA-N 0 3 292.343 -1.012 20 0 CAADHN CN1CCN([C@H]2CCN(C(=O)[C@H]3CNCCO3)C2)CC1 ZINC001550115797 894530104 /nfs/dbraw/zinc/53/01/04/894530104.db2.gz FYWWRNNTBUEVNO-QWHCGFSZSA-N 0 3 282.388 -1.177 20 0 CAADHN NCc1cn([C@H]2CCN(C(=O)CN3CCOCC3)C2)nn1 ZINC001550096599 894530205 /nfs/dbraw/zinc/53/02/05/894530205.db2.gz MSRVQNQWRGOJNS-LBPRGKRZSA-N 0 3 294.359 -1.158 20 0 CAADHN CO[C@H](CN)C(=O)N1C[C@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC001550184872 894532006 /nfs/dbraw/zinc/53/20/06/894532006.db2.gz KLZCTEAMIFARRT-QJPTWQEYSA-N 0 3 299.371 -1.087 20 0 CAADHN CO[C@H](CN)C(=O)N1CCNC(=O)CC12CCOCC2 ZINC001550189825 894532212 /nfs/dbraw/zinc/53/22/12/894532212.db2.gz TWULCVGJAHAVRU-SNVBAGLBSA-N 0 3 285.344 -1.142 20 0 CAADHN CO[C@H](CN)C(=O)N1CCNC[C@H]1c1nccn1C ZINC001550184152 894532702 /nfs/dbraw/zinc/53/27/02/894532702.db2.gz MVZVSFUFVQZALO-VHSXEESVSA-N 0 3 267.333 -1.133 20 0 CAADHN CN1CCN([C@H]2CCN(C(=O)[C@H]3COCCN3)C2)CC1 ZINC001550116743 894533599 /nfs/dbraw/zinc/53/35/99/894533599.db2.gz RJKGJUISIIWERY-QWHCGFSZSA-N 0 3 282.388 -1.177 20 0 CAADHN C[C@H](O)[C@H](O)CN1C[C@H](N(C)C)[C@@H](n2ccnn2)C1 ZINC001550538863 894535911 /nfs/dbraw/zinc/53/59/11/894535911.db2.gz VYMOUUGGBTVEGJ-FIQHERPVSA-N 0 3 269.349 -1.193 20 0 CAADHN CNC(=O)[C@@]12CN(C(=O)[C@@H](C)N)C[C@@H]1COCC2 ZINC001551407162 894536431 /nfs/dbraw/zinc/53/64/31/894536431.db2.gz GKGOEWDXYAILJR-LNLATYFQSA-N 0 3 255.318 -1.055 20 0 CAADHN CN(C)[C@@H]1CN(C[C@@H](O)CO)C[C@H]1n1ccnn1 ZINC001550538630 894536891 /nfs/dbraw/zinc/53/68/91/894536891.db2.gz BJWUQSDROPSQFC-GMTAPVOTSA-N 0 3 255.322 -1.582 20 0 CAADHN CN1CC[C@]2(C(=O)Nc3nnn[n-]3)C[NH2+]C[C@H]2C1 ZINC001553365959 894560185 /nfs/dbraw/zinc/56/01/85/894560185.db2.gz NUGDAYSGSFOPOR-XVKPBYJWSA-N 0 3 251.294 -1.321 20 0 CAADHN CN1CC[C@]2(C(=O)Nc3nn[n-]n3)C[NH2+]C[C@H]2C1 ZINC001553365959 894560189 /nfs/dbraw/zinc/56/01/89/894560189.db2.gz NUGDAYSGSFOPOR-XVKPBYJWSA-N 0 3 251.294 -1.321 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001556503571 894576757 /nfs/dbraw/zinc/57/67/57/894576757.db2.gz YREWEJNTCSFRDF-VWYCJHECSA-N 0 3 295.339 -1.293 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001556503570 894576817 /nfs/dbraw/zinc/57/68/17/894576817.db2.gz YREWEJNTCSFRDF-OUAUKWLOSA-N 0 3 295.339 -1.293 20 0 CAADHN O=C(N1CC[C@H](N2CC[C@@H](O)C2)C1)C1(O)COC1 ZINC001556503138 894576951 /nfs/dbraw/zinc/57/69/51/894576951.db2.gz KKDGQIQLMBXSSM-VHSXEESVSA-N 0 3 256.302 -1.585 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1=C2CCCN=C2NN1 ZINC001556503929 894577518 /nfs/dbraw/zinc/57/75/18/894577518.db2.gz CWAQVIFHIXLJNH-QMMMGPOBSA-N 0 3 267.333 -1.421 20 0 CAADHN CN(C)CCONC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001557018056 894592852 /nfs/dbraw/zinc/59/28/52/894592852.db2.gz ZGQUSNGDRLMNAN-MRVPVSSYSA-N 0 3 298.303 -1.391 20 0 CAADHN CC(C)[C@H]1CN(C(=O)Cn2nnc(N)n2)CCN1 ZINC001557573381 894602055 /nfs/dbraw/zinc/60/20/55/894602055.db2.gz AYRMQBGMBIYRKS-MRVPVSSYSA-N 0 3 253.310 -1.288 20 0 CAADHN CC(C)(O)CN1CC[C@H](NC(=O)C2(O)COC2)C1 ZINC001557884205 894610687 /nfs/dbraw/zinc/61/06/87/894610687.db2.gz WUGXCQMFGIMELO-VIFPVBQESA-N 0 3 258.318 -1.291 20 0 CAADHN CN(C)C(=O)/C=C/C(=O)NCCN1CC[C@@H](O)C1 ZINC001557865859 894610918 /nfs/dbraw/zinc/61/09/18/894610918.db2.gz OMUJCJCBILLNFB-HMDXOVGESA-N 0 3 255.318 -1.186 20 0 CAADHN NC(=O)NCCC(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001558548860 894620983 /nfs/dbraw/zinc/62/09/83/894620983.db2.gz ISLAZILLOYDTGY-QMMMGPOBSA-N 0 3 256.306 -1.366 20 0 CAADHN NC(=O)NCCC(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001558548859 894621038 /nfs/dbraw/zinc/62/10/38/894621038.db2.gz ISLAZILLOYDTGY-MRVPVSSYSA-N 0 3 256.306 -1.366 20 0 CAADHN [NH3+][C@@H](CC(=O)[O-])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000217771528 959777190 /nfs/dbraw/zinc/77/71/90/959777190.db2.gz YZHKREAEMWCVSY-UTLUCORTSA-N 0 3 271.317 -1.232 20 0 CAADHN [NH3+][C@@H](CC(=O)[O-])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000217771453 959777476 /nfs/dbraw/zinc/77/74/76/959777476.db2.gz YZHKREAEMWCVSY-BBBLOLIVSA-N 0 3 271.317 -1.232 20 0 CAADHN CCN1CCN(CCNC(=O)[C@@H]([NH3+])CC(=O)[O-])CC1 ZINC001596436856 984126463 /nfs/dbraw/zinc/12/64/63/984126463.db2.gz XOJXKHRFPVAVHA-JTQLQIEISA-N 0 3 272.349 -1.458 20 0 CAADHN C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001594585315 986476057 /nfs/dbraw/zinc/47/60/57/986476057.db2.gz YEFQVHZFEAMRSH-NWDGAFQWSA-N 0 3 296.371 -1.397 20 0 CAADHN C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001594585315 986476060 /nfs/dbraw/zinc/47/60/60/986476060.db2.gz YEFQVHZFEAMRSH-NWDGAFQWSA-N 0 3 296.371 -1.397 20 0 CAADHN C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001594585317 986476261 /nfs/dbraw/zinc/47/62/61/986476261.db2.gz YEFQVHZFEAMRSH-VXGBXAGGSA-N 0 3 296.371 -1.397 20 0 CAADHN C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(CC(=O)[O-])CC1 ZINC001594585317 986476265 /nfs/dbraw/zinc/47/62/65/986476265.db2.gz YEFQVHZFEAMRSH-VXGBXAGGSA-N 0 3 296.371 -1.397 20 0 CAADHN CN(CCNS(=O)(=O)CCC[NH+](C)C)CC(=O)[O-] ZINC001598223909 990904279 /nfs/dbraw/zinc/90/42/79/990904279.db2.gz TVRANTNQYJDVJS-UHFFFAOYSA-N 0 3 281.378 -1.126 20 0 CAADHN CN(CC(=O)[O-])C(=O)CCN1CCNCC[NH2+]CC1 ZINC001598409979 991731450 /nfs/dbraw/zinc/73/14/50/991731450.db2.gz XIZCYPPARBYUJT-UHFFFAOYSA-N 0 3 272.349 -1.586 20 0 CAADHN CNC(=O)NC(=O)CC[N@@H+]1CCCNC[C@@H]1C(=O)[O-] ZINC001598651371 994448721 /nfs/dbraw/zinc/44/87/21/994448721.db2.gz GWQAYFCZFIAGEV-MRVPVSSYSA-N 0 3 272.305 -1.419 20 0 CAADHN CNC(=O)NC(=O)CC[N@H+]1CCCNC[C@@H]1C(=O)[O-] ZINC001598651371 994448724 /nfs/dbraw/zinc/44/87/24/994448724.db2.gz GWQAYFCZFIAGEV-MRVPVSSYSA-N 0 3 272.305 -1.419 20 0 CAADHN COCC[C@H](N)C(=O)N1CCC[NH2+]C[C@@H]1C(=O)[O-] ZINC001599213601 997544220 /nfs/dbraw/zinc/54/42/20/997544220.db2.gz OLMFXNIUYASWBD-DTWKUNHWSA-N 0 3 259.306 -1.375 20 0 CAADHN COCC[C@@H](N)C(=O)N1CCC[NH2+]C[C@H]1C(=O)[O-] ZINC001599213600 997544524 /nfs/dbraw/zinc/54/45/24/997544524.db2.gz OLMFXNIUYASWBD-BDAKNGLRSA-N 0 3 259.306 -1.375 20 0 CAADHN COCCNCC(=O)N1CCC[NH2+]C[C@@H]1C(=O)[O-] ZINC001599244743 998120339 /nfs/dbraw/zinc/12/03/39/998120339.db2.gz DRCSMTKTIYIUJD-SECBINFHSA-N 0 3 259.306 -1.503 20 0 CAADHN COCCOC[C@H](O)C[N@@H+]1CCCNC[C@H]1C(=O)[O-] ZINC001599249271 998200410 /nfs/dbraw/zinc/20/04/10/998200410.db2.gz FRCYRDOWVNGUHM-MNOVXSKESA-N 0 3 276.333 -1.241 20 0 CAADHN COCCOC[C@H](O)C[N@H+]1CCCNC[C@H]1C(=O)[O-] ZINC001599249271 998200423 /nfs/dbraw/zinc/20/04/23/998200423.db2.gz FRCYRDOWVNGUHM-MNOVXSKESA-N 0 3 276.333 -1.241 20 0 CAADHN COCCOC[C@@H](O)C[N@@H+]1CCCNC[C@@H]1C(=O)[O-] ZINC001599249275 998201119 /nfs/dbraw/zinc/20/11/19/998201119.db2.gz FRCYRDOWVNGUHM-WDEREUQCSA-N 0 3 276.333 -1.241 20 0 CAADHN COCCOC[C@@H](O)C[N@H+]1CCCNC[C@@H]1C(=O)[O-] ZINC001599249275 998201128 /nfs/dbraw/zinc/20/11/28/998201128.db2.gz FRCYRDOWVNGUHM-WDEREUQCSA-N 0 3 276.333 -1.241 20 0 CAADHN O=C(C[C@H]1CNCCO1)N1CCN(CCO)CC1 ZINC000091299377 230164907 /nfs/dbraw/zinc/16/49/07/230164907.db2.gz BPEQYKOVVZNCSM-NSHDSACASA-N 0 3 257.334 -1.499 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000130352654 230175971 /nfs/dbraw/zinc/17/59/71/230175971.db2.gz SIZQRQBYIMLWQT-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000130352877 230175988 /nfs/dbraw/zinc/17/59/88/230175988.db2.gz SIZQRQBYIMLWQT-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN [NH3+]CC1(NC(=O)CN2CC(=O)[N-]C2=O)CCCC1 ZINC000154315568 230180953 /nfs/dbraw/zinc/18/09/53/230180953.db2.gz WCKOSMGJSQBDCO-UHFFFAOYSA-N 0 3 254.290 -1.074 20 0 CAADHN COC[C@@H](NCC(=O)N1CCNC(=O)C1)C1CC1 ZINC000181574647 230199041 /nfs/dbraw/zinc/19/90/41/230199041.db2.gz HZKOKAMNJCVKGG-SNVBAGLBSA-N 0 3 255.318 -1.041 20 0 CAADHN CN(C)CCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000331293368 282103934 /nfs/dbraw/zinc/10/39/34/282103934.db2.gz QVWKBTNPUBPZBQ-UHFFFAOYSA-N 0 3 256.306 -1.005 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CCN1C(=O)CCC1=O ZINC000228746902 230213816 /nfs/dbraw/zinc/21/38/16/230213816.db2.gz GEFKUVQLRJBDAF-ZDUSSCGKSA-N 0 3 285.344 -1.046 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000228752677 230212009 /nfs/dbraw/zinc/21/20/09/230212009.db2.gz VEYBRLMNPGXVDU-CYBMUJFWSA-N 0 3 298.343 -2.024 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000227362379 230212193 /nfs/dbraw/zinc/21/21/93/230212193.db2.gz NGWXHSBQDHUTQQ-GHMZBOCLSA-N 0 3 285.344 -1.190 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000251598321 230219364 /nfs/dbraw/zinc/21/93/64/230219364.db2.gz ZXQDHQIHKCXEDR-HRDYMLBCSA-N 0 3 276.362 -1.635 20 0 CAADHN NCC(=O)NCC(=O)N1CCN(C2CCC2)CC1 ZINC000262236920 230226249 /nfs/dbraw/zinc/22/62/49/230226249.db2.gz OQGNGYNLNXETGS-UHFFFAOYSA-N 0 3 254.334 -1.242 20 0 CAADHN COC[C@@H](N)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000262271800 230225809 /nfs/dbraw/zinc/22/58/09/230225809.db2.gz KNMQVVTZXDKZPH-LLVKDONJSA-N 0 3 286.376 -1.417 20 0 CAADHN C[C@H](N)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000262449450 230228299 /nfs/dbraw/zinc/22/82/99/230228299.db2.gz DXIFMLYLPCJKEN-VHSXEESVSA-N 0 3 293.389 -1.062 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N1CCNCC1 ZINC000419448396 230254442 /nfs/dbraw/zinc/25/44/42/230254442.db2.gz IKJDGFSPZUDUCC-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN COCCN1CCN(C(=O)C(=O)N(C)[C@@H](C)CN)CC1 ZINC000423729455 230279461 /nfs/dbraw/zinc/27/94/61/230279461.db2.gz XEFVCLCSSXJGCV-NSHDSACASA-N 0 3 286.376 -1.417 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000424164216 230279733 /nfs/dbraw/zinc/27/97/33/230279733.db2.gz YQNVJFNPHDCJBD-VHSXEESVSA-N 0 3 270.333 -2.102 20 0 CAADHN [NH3+][C@@H]1CCCC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000424215619 230280474 /nfs/dbraw/zinc/28/04/74/230280474.db2.gz AKAZOXDAWOLFAV-HTQZYQBOSA-N 0 3 254.290 -1.076 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000424123055 230278559 /nfs/dbraw/zinc/27/85/59/230278559.db2.gz LFFUUHCHJNQRJZ-DTWKUNHWSA-N 0 3 288.329 -1.443 20 0 CAADHN CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424077271 230279106 /nfs/dbraw/zinc/27/91/06/230279106.db2.gz BCTDVDKWWKETNR-BDAKNGLRSA-N 0 3 261.347 -1.173 20 0 CAADHN Cc1nc(S(=O)(=O)[N-]CC(=O)NCC[NH3+])cn1C ZINC000428736286 230294638 /nfs/dbraw/zinc/29/46/38/230294638.db2.gz HCSQQNAGYDNJQW-UHFFFAOYSA-N 0 3 275.334 -1.918 20 0 CAADHN C[C@H]([NH3+])CCNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000429043760 230296926 /nfs/dbraw/zinc/29/69/26/230296926.db2.gz ILGMOOCCGPOVQL-QMMMGPOBSA-N 0 3 289.361 -1.448 20 0 CAADHN CCS(=O)(=O)N1CCN(C(=O)CNCCOC)CC1 ZINC000430152662 230303089 /nfs/dbraw/zinc/30/30/89/230303089.db2.gz WTQUNMFZZBXWMR-UHFFFAOYSA-N 0 3 293.389 -1.284 20 0 CAADHN Cn1cc(N2CC[C@H](NC(=O)COC3CNC3)C2=O)cn1 ZINC000430389662 230303771 /nfs/dbraw/zinc/30/37/71/230303771.db2.gz VYVLJHKELSJQBG-NSHDSACASA-N 0 3 293.327 -1.370 20 0 CAADHN CCS(=O)(=O)C[C@H](C)NC(=O)COC1CNC1 ZINC000430407400 230304733 /nfs/dbraw/zinc/30/47/33/230304733.db2.gz IQPFXQLELYMKOI-QMMMGPOBSA-N 0 3 264.347 -1.086 20 0 CAADHN COCCNCC(=O)NCCNC(=O)c1cnccn1 ZINC000430275120 230305253 /nfs/dbraw/zinc/30/52/53/230305253.db2.gz SYLSGLFEVCGBHJ-UHFFFAOYSA-N 0 3 281.316 -1.441 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000430278264 230305293 /nfs/dbraw/zinc/30/52/93/230305293.db2.gz PNLFWUCKDDMGKI-ZJUUUORDSA-N 0 3 271.317 -1.532 20 0 CAADHN CS(=O)(=O)NCCCNC(=O)COC1CNC1 ZINC000430207742 230305802 /nfs/dbraw/zinc/30/58/02/230305802.db2.gz RRNRDPDXLUKKHS-UHFFFAOYSA-N 0 3 265.335 -1.970 20 0 CAADHN NCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000430769423 230307105 /nfs/dbraw/zinc/30/71/05/230307105.db2.gz UYGJFYMRHYMKRD-JTQLQIEISA-N 0 3 270.333 -2.006 20 0 CAADHN O=C(CN1CCNCC1=O)N1CCN2CCC[C@@H]2C1 ZINC000430735209 230307741 /nfs/dbraw/zinc/30/77/41/230307741.db2.gz PNYQOILUYZMBAA-LLVKDONJSA-N 0 3 266.345 -1.275 20 0 CAADHN CN(C)C(=O)CCN1CCN(C(=O)COC2CNC2)CC1 ZINC000430794953 230309497 /nfs/dbraw/zinc/30/94/97/230309497.db2.gz SAHXHWDQZMSFKZ-UHFFFAOYSA-N 0 3 298.387 -1.403 20 0 CAADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CNCCO1 ZINC000430904688 230310306 /nfs/dbraw/zinc/31/03/06/230310306.db2.gz UXAMRMHGVURGTK-QWRGUYRKSA-N 0 3 284.360 -1.569 20 0 CAADHN C[C@@H]1NC(=O)N(CCN(C)CC(C)(CO)CO)C1=O ZINC001191731685 781920224 /nfs/dbraw/zinc/92/02/24/781920224.db2.gz XCFZQHAXVOFOLX-VIFPVBQESA-N 0 3 273.333 -1.151 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)COC1CNC1 ZINC000430882838 230311946 /nfs/dbraw/zinc/31/19/46/230311946.db2.gz NGCIGKILLZXYKO-JTQLQIEISA-N 0 3 257.334 -1.188 20 0 CAADHN CN(C)CCn1nccc1NC(=O)NC[C@@H](O)CO ZINC000436492389 230321621 /nfs/dbraw/zinc/32/16/21/230321621.db2.gz ZODTWSYDDJGBFB-SECBINFHSA-N 0 3 271.321 -1.081 20 0 CAADHN CC[C@@H]1COCCN1C(=O)C(=O)NCCNCCOC ZINC000420180647 529409387 /nfs/dbraw/zinc/40/93/87/529409387.db2.gz HCAWTFVASYPIJD-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)CN(CCO)CCO)C[C@@H](C)O1 ZINC000441506437 230328777 /nfs/dbraw/zinc/32/87/77/230328777.db2.gz OHKNHWLTTKJIJP-UPJWGTAASA-N 0 3 276.377 -1.257 20 0 CAADHN COCCOCCS(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C ZINC000443718314 230333571 /nfs/dbraw/zinc/33/35/71/230333571.db2.gz ORSANELEZRIJCG-LLVKDONJSA-N 0 3 298.405 -1.119 20 0 CAADHN COCCN(C)S(=O)(=O)NCC1(O)CCN(C)CC1 ZINC000443233905 230333857 /nfs/dbraw/zinc/33/38/57/230333857.db2.gz NINSLEPOFKSJCZ-UHFFFAOYSA-N 0 3 295.405 -1.144 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](O)C2)CC1=O ZINC000443521668 230332644 /nfs/dbraw/zinc/33/26/44/230332644.db2.gz WKSDXRVKYCMKDG-QWRGUYRKSA-N 0 3 269.345 -1.010 20 0 CAADHN [NH3+][C@H]1CCC[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000446395158 230339059 /nfs/dbraw/zinc/33/90/59/230339059.db2.gz BLFKQSNIRWBJPR-JGVFFNPUSA-N 0 3 254.290 -1.076 20 0 CAADHN CC[C@H](N)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000430738732 529441789 /nfs/dbraw/zinc/44/17/89/529441789.db2.gz GEHUPYKOFFVEND-LBPRGKRZSA-N 0 3 298.387 -1.273 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CCN(C)CC1 ZINC000459891256 230351267 /nfs/dbraw/zinc/35/12/67/230351267.db2.gz ANVYZNUOBIZCEG-UHFFFAOYSA-N 0 3 256.350 -1.220 20 0 CAADHN CN(C)CCOCCNC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000471663509 230353585 /nfs/dbraw/zinc/35/35/85/230353585.db2.gz QBQDUUHBGCLQQA-SNVBAGLBSA-N 0 3 288.348 -1.540 20 0 CAADHN CN(C)C/C=C\C(=O)NC[C@@H]1CC(C(N)=O)=NO1 ZINC000491962181 230361884 /nfs/dbraw/zinc/36/18/84/230361884.db2.gz JKVXYKQOVWNWOK-VEMNSZJBSA-N 0 3 254.290 -1.149 20 0 CAADHN CN(C)C/C=C\C(=O)N1CCN(C(=O)CO)CC1 ZINC000492357182 230362760 /nfs/dbraw/zinc/36/27/60/230362760.db2.gz HABBTHFQXULCCN-ARJAWSKDSA-N 0 3 255.318 -1.233 20 0 CAADHN C[NH+](C)C/C=C/C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000493449510 230363472 /nfs/dbraw/zinc/36/34/72/230363472.db2.gz HZCLORDMPFHGTD-CDAZIORVSA-N 0 3 266.301 -1.133 20 0 CAADHN CC[C@@H](Nc1nc(NCCO)nc(NC(C)C)n1)[C@H](C)O ZINC000450805216 529570457 /nfs/dbraw/zinc/57/04/57/529570457.db2.gz ZQANYWKFDJGUBL-VHSXEESVSA-N 0 3 298.391 -1.067 20 0 CAADHN C[C@H]1OC(=O)N[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000496239499 230364736 /nfs/dbraw/zinc/36/47/36/230364736.db2.gz PHZFPJFIERYIIV-RYPBNFRJSA-N 0 3 257.290 -1.383 20 0 CAADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@H]1COC(=O)N1 ZINC000496716229 230364877 /nfs/dbraw/zinc/36/48/77/230364877.db2.gz YOCQZVSXMHFOSV-SKDRFNHKSA-N 0 3 269.301 -1.332 20 0 CAADHN O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@H]1COCCO1 ZINC000573441063 334937827 /nfs/dbraw/zinc/93/78/27/334937827.db2.gz GQSIHRKMNRAIDR-MRVPVSSYSA-N 0 3 282.304 -1.432 20 0 CAADHN CN(C(=O)CN1CC(=O)[N-]C1=O)[C@@H](C[NH3+])C1CC1 ZINC000573443232 334938215 /nfs/dbraw/zinc/93/82/15/334938215.db2.gz AJZWHFXTVTZDGZ-QMMMGPOBSA-N 0 3 254.290 -1.266 20 0 CAADHN CN(C)CCN1C(=O)C[C@@H](N[C@H]2CCC(=O)N(C)C2)C1=O ZINC000573455287 334939325 /nfs/dbraw/zinc/93/93/25/334939325.db2.gz GVXMERVLQHCECB-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN CN1CCN(CCCNC(=O)CN2CCNCC2=O)CC1 ZINC000431003524 529770834 /nfs/dbraw/zinc/77/08/34/529770834.db2.gz GUWKCNQCJZPOHH-UHFFFAOYSA-N 0 3 297.403 -1.828 20 0 CAADHN CN1CCN(CCCNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC000497201343 529770868 /nfs/dbraw/zinc/77/08/68/529770868.db2.gz HBBJFQFRGZVEII-JTQLQIEISA-N 0 3 270.333 -1.152 20 0 CAADHN CN1CCN(c2ncc(CNC[C@H](O)CO)cn2)CC1 ZINC000347497680 529778167 /nfs/dbraw/zinc/77/81/67/529778167.db2.gz FIZZRPXHMLETCX-LBPRGKRZSA-N 0 3 281.360 -1.329 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)NCCN3CCNC(=O)C3)C[C@@H]21 ZINC000333620991 529797526 /nfs/dbraw/zinc/79/75/26/529797526.db2.gz PNPISPQEUADMMT-NEPJUHHUSA-N 0 3 295.387 -1.236 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCCN2CCNC(=O)C2)C1 ZINC000358657501 529800868 /nfs/dbraw/zinc/80/08/68/529800868.db2.gz CTGHYKYKQDCEMC-CYBMUJFWSA-N 0 3 299.375 -2.216 20 0 CAADHN CN(C)c1nc(C(=O)NC[C@H]2C[NH2+]CCO2)cc(=O)[n-]1 ZINC000423986724 529803938 /nfs/dbraw/zinc/80/39/38/529803938.db2.gz GNQOJQBDXGIWFR-MRVPVSSYSA-N 0 3 281.316 -1.034 20 0 CAADHN CN(C)c1nc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc(=O)[n-]1 ZINC000423724497 529804328 /nfs/dbraw/zinc/80/43/28/529804328.db2.gz RLKSJTLURYFKSX-SECBINFHSA-N 0 3 294.359 -1.118 20 0 CAADHN CN1CC[C@H]2OCCN(C(=O)CN3CN=NC3=O)[C@H]2C1 ZINC000329053776 529808216 /nfs/dbraw/zinc/80/82/16/529808216.db2.gz XHGQXTKPWNBPII-VHSXEESVSA-N 0 3 281.316 -1.085 20 0 CAADHN CN1C[C@@H](NC(=O)NCC2(O)CCN(C)CC2)CC1=O ZINC000362754911 529820291 /nfs/dbraw/zinc/82/02/91/529820291.db2.gz CHKWCWVFJYHQSV-JTQLQIEISA-N 0 3 284.360 -1.027 20 0 CAADHN CN1C[C@@H](NC(=O)[C@H]2CN3CCN2CCC3)CC1=O ZINC000362708180 529820884 /nfs/dbraw/zinc/82/08/84/529820884.db2.gz VVRGNRZEQZQLPB-WDEREUQCSA-N 0 3 266.345 -1.277 20 0 CAADHN CN1C[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)CC1=O ZINC000362708179 529820955 /nfs/dbraw/zinc/82/09/55/529820955.db2.gz VVRGNRZEQZQLPB-QWRGUYRKSA-N 0 3 266.345 -1.277 20 0 CAADHN CN(C1CNC1)S(=O)(=O)CCS(C)(=O)=O ZINC000085257860 529822242 /nfs/dbraw/zinc/82/22/42/529822242.db2.gz PKBIUFYIVYIEQI-UHFFFAOYSA-N 0 3 256.349 -1.736 20 0 CAADHN CN(C1CNC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000090290061 529822519 /nfs/dbraw/zinc/82/25/19/529822519.db2.gz WFPQNXTYSGVYQF-UHFFFAOYSA-N 0 3 272.330 -1.284 20 0 CAADHN C[N@H+]1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)C[C@H]2C1 ZINC000192496550 529823793 /nfs/dbraw/zinc/82/37/93/529823793.db2.gz CXWGLFOCWVASJC-KXUCPTDWSA-N 0 3 280.328 -1.005 20 0 CAADHN C[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3NC(=O)[N-]C3=O)C[C@H]2C1 ZINC000192496550 529823794 /nfs/dbraw/zinc/82/37/94/529823794.db2.gz CXWGLFOCWVASJC-KXUCPTDWSA-N 0 3 280.328 -1.005 20 0 CAADHN CN(CC(=O)N1CCNC(=O)C1)C[C@H]1CCCN1C ZINC000333766795 529828025 /nfs/dbraw/zinc/82/80/25/529828025.db2.gz DOUAJZISDOEBDL-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CN(CC(=O)N1CCOCC1)C(=O)C[C@@H]1CNCCO1 ZINC000430197359 529828466 /nfs/dbraw/zinc/82/84/66/529828466.db2.gz VALFTOVWDQWGRP-LLVKDONJSA-N 0 3 285.344 -1.318 20 0 CAADHN CN1C[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)CC1=O ZINC000362708178 529828947 /nfs/dbraw/zinc/82/89/47/529828947.db2.gz VVRGNRZEQZQLPB-MNOVXSKESA-N 0 3 266.345 -1.277 20 0 CAADHN CNC(=O)CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000185130580 529844494 /nfs/dbraw/zinc/84/44/94/529844494.db2.gz JIQMUOQTSSDTPG-UHFFFAOYSA-N 0 3 296.371 -1.111 20 0 CAADHN CNC(=O)CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000184860541 529844609 /nfs/dbraw/zinc/84/46/09/529844609.db2.gz BQDHBIZPEQBPNN-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CNc1nc(N[C@H](C)CO)nc(N[C@@H](C)CO)n1 ZINC000358458307 529834058 /nfs/dbraw/zinc/83/40/58/529834058.db2.gz OOHGKNFXCHUMFB-KNVOCYPGSA-N 0 3 256.310 -2.236 20 0 CAADHN CNC(=O)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000431704110 529836844 /nfs/dbraw/zinc/83/68/44/529836844.db2.gz UOPYEDXCAWANMS-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN CNC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000344288751 529860721 /nfs/dbraw/zinc/86/07/21/529860721.db2.gz RAQRUUOUHFCPDC-SNVBAGLBSA-N 0 3 284.360 -1.399 20 0 CAADHN CNC(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424138756 529861990 /nfs/dbraw/zinc/86/19/90/529861990.db2.gz UTIWIVHLMFABHD-ZJUUUORDSA-N 0 3 254.334 -1.340 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000195169930 529862889 /nfs/dbraw/zinc/86/28/89/529862889.db2.gz KQFUCBRZGZJBOL-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CNC(=O)CNC(=O)NCCN(C)CCCOC ZINC000173581209 529863841 /nfs/dbraw/zinc/86/38/41/529863841.db2.gz NZDFVSLCIGIGBE-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN CNC(=O)CCNC(=O)NCCOCCN(C)C ZINC000471640620 529857990 /nfs/dbraw/zinc/85/79/90/529857990.db2.gz ATQPLKMQGGVEDG-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN CNC(=O)NC(=O)CN1CCNC[C@H]1c1nccn1C ZINC000261737413 529880055 /nfs/dbraw/zinc/88/00/55/529880055.db2.gz KGGLTCWCWYCJLQ-VIFPVBQESA-N 0 3 280.332 -1.178 20 0 CAADHN CNC(=O)NC1CN(C(=O)C(=O)N[C@H](CN)CC(C)C)C1 ZINC000419945974 529883169 /nfs/dbraw/zinc/88/31/69/529883169.db2.gz ACNUGOZDULWNPI-VIFPVBQESA-N 0 3 299.375 -1.384 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNCC1CC1 ZINC000430090508 529901978 /nfs/dbraw/zinc/90/19/78/529901978.db2.gz NVSMPKCWPBHDCC-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@H](NCCNS(C)(=O)=O)C(C)C ZINC000183642473 529920944 /nfs/dbraw/zinc/92/09/44/529920944.db2.gz WQBJOXCLEMBYRB-MRVPVSSYSA-N 0 3 251.352 -1.104 20 0 CAADHN CN(CCN)C(=O)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000419245197 529905163 /nfs/dbraw/zinc/90/51/63/529905163.db2.gz LBPTVNSUZWQPSO-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CCN)C(=O)C(=O)N[C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000419245195 529905542 /nfs/dbraw/zinc/90/55/42/529905542.db2.gz LBPTVNSUZWQPSO-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CCN1C(=O)CNC1=O)CCN1CCOCC1 ZINC000112406524 529906979 /nfs/dbraw/zinc/90/69/79/529906979.db2.gz XEYROOODLTYRFO-UHFFFAOYSA-N 0 3 270.333 -1.198 20 0 CAADHN CNC(=O)[C@H](C)NC(=O)NCCOCCN(C)C ZINC000490234918 529914703 /nfs/dbraw/zinc/91/47/03/529914703.db2.gz CUVHWHDJUARRJC-VIFPVBQESA-N 0 3 260.338 -1.002 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)/C=C/CN(C)C ZINC000491854631 529923254 /nfs/dbraw/zinc/92/32/54/529923254.db2.gz YPHXGGFMTGJRBY-OKPNEXGHSA-N 0 3 296.371 -1.043 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CNCC1CC1 ZINC000430090507 529923264 /nfs/dbraw/zinc/92/32/64/529923264.db2.gz NVSMPKCWPBHDCC-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN CNCC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000262622822 529956291 /nfs/dbraw/zinc/95/62/91/529956291.db2.gz HHMGHOQRMUQOEW-JTQLQIEISA-N 0 3 293.389 -1.190 20 0 CAADHN CNCC(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186637158 529956405 /nfs/dbraw/zinc/95/64/05/529956405.db2.gz RTCYRBKYXYFXLP-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN CNCC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000163981621 529956578 /nfs/dbraw/zinc/95/65/78/529956578.db2.gz QYVMVVMGVIFMDK-UHFFFAOYSA-N 0 3 277.284 -1.210 20 0 CAADHN CNCC(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000178803585 529956703 /nfs/dbraw/zinc/95/67/03/529956703.db2.gz CLEUOGDNKOFNJV-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN CN(C[C@H](O)CN1CCN(S(N)(=O)=O)CC1)C1CC1 ZINC000331928108 529959371 /nfs/dbraw/zinc/95/93/71/529959371.db2.gz WCORRUXRXCVVCG-NSHDSACASA-N 0 3 292.405 -1.737 20 0 CAADHN CNCCN(C)S(=O)(=O)CCCS(C)(=O)=O ZINC000440831091 529973359 /nfs/dbraw/zinc/97/33/59/529973359.db2.gz HDSSXXFDNADTNS-UHFFFAOYSA-N 0 3 272.392 -1.098 20 0 CAADHN CNCCN(C)S(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000440837715 529973413 /nfs/dbraw/zinc/97/34/13/529973413.db2.gz ZUJQFDURSBBCTD-UHFFFAOYSA-N 0 3 290.345 -1.104 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCCN(C)[C@@H]1C ZINC000450798183 530022782 /nfs/dbraw/zinc/02/27/82/530022782.db2.gz RSKOJKOSDNWVIF-BDAKNGLRSA-N 0 3 278.378 -1.361 20 0 CAADHN CNS(=O)(=O)CCNC(=O)CN(C)C(C)C ZINC000188972164 530015458 /nfs/dbraw/zinc/01/54/58/530015458.db2.gz OENMEYIWDGPOFX-UHFFFAOYSA-N 0 3 251.352 -1.008 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N1CCCN(C)CC1 ZINC000332050259 530015724 /nfs/dbraw/zinc/01/57/24/530015724.db2.gz VXICJVNHGBAKIR-UHFFFAOYSA-N 0 3 278.378 -1.117 20 0 CAADHN CNS(=O)(=O)CCNC(=O)NCCN(C)C1CC1 ZINC000439077636 530016419 /nfs/dbraw/zinc/01/64/19/530016419.db2.gz NAIPKCPLVUMADU-UHFFFAOYSA-N 0 3 278.378 -1.071 20 0 CAADHN CNS(=O)(=O)CCNC(=O)NC[C@](C)(O)CN(C)C ZINC000439825397 530016607 /nfs/dbraw/zinc/01/66/07/530016607.db2.gz ILCJEPULDJQPGI-JTQLQIEISA-N 0 3 296.393 -1.853 20 0 CAADHN CNS(=O)(=O)CCNC1CCN(CC(=O)OC)CC1 ZINC000439767968 530017771 /nfs/dbraw/zinc/01/77/71/530017771.db2.gz PXVOJBCYJPMLIL-UHFFFAOYSA-N 0 3 293.389 -1.237 20 0 CAADHN CNS(=O)(=O)CCN[C@@H]1CCN(CCOC)C1 ZINC000336894082 530018327 /nfs/dbraw/zinc/01/83/27/530018327.db2.gz LMDINFDLRUCAKP-SNVBAGLBSA-N 0 3 265.379 -1.154 20 0 CAADHN CNS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000367223112 530020610 /nfs/dbraw/zinc/02/06/10/530020610.db2.gz FTQKFORFMAVOKF-JTQLQIEISA-N 0 3 290.389 -1.311 20 0 CAADHN CNS(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000367223113 530020686 /nfs/dbraw/zinc/02/06/86/530020686.db2.gz FTQKFORFMAVOKF-SNVBAGLBSA-N 0 3 290.389 -1.311 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000448959895 530021803 /nfs/dbraw/zinc/02/18/03/530021803.db2.gz ITCFCULAKJGHDI-SNVBAGLBSA-N 0 3 290.389 -1.265 20 0 CAADHN CNS(=O)(=O)NC[C@H](O)CN1CCCCC1 ZINC000351929508 530023137 /nfs/dbraw/zinc/02/31/37/530023137.db2.gz ZPCFCDZRJMUQIJ-VIFPVBQESA-N 0 3 251.352 -1.113 20 0 CAADHN C[NH2+][C@@H](C)CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000261661508 530038459 /nfs/dbraw/zinc/03/84/59/530038459.db2.gz FXNIFPNZQUPHFL-QMMMGPOBSA-N 0 3 289.361 -1.578 20 0 CAADHN CN1C(=O)CC[C@@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1=O ZINC000333400375 530040818 /nfs/dbraw/zinc/04/08/18/530040818.db2.gz FOOFKPKQBOYMJP-MNOVXSKESA-N 0 3 294.355 -1.360 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1 ZINC000423665248 530066125 /nfs/dbraw/zinc/06/61/25/530066125.db2.gz JGUJVKRQYUHGGR-SNVBAGLBSA-N 0 3 254.334 -1.290 20 0 CAADHN CN1CCC(NC(=O)Cn2ccc(=O)n(C)c2=O)CC1 ZINC000048608938 530050118 /nfs/dbraw/zinc/05/01/18/530050118.db2.gz ZUMYZJBUSAFWCI-UHFFFAOYSA-N 0 3 280.328 -1.243 20 0 CAADHN CN1CCC(O)(CNC(=O)CN2CCN(C)C(=O)C2)CC1 ZINC000444122947 530050717 /nfs/dbraw/zinc/05/07/17/530050717.db2.gz QTQZYIRHPSZEKJ-UHFFFAOYSA-N 0 3 298.387 -1.667 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(N)=O)CC1 ZINC000104869905 530055768 /nfs/dbraw/zinc/05/57/68/530055768.db2.gz BTHBKFCNSZDVKP-SNVBAGLBSA-N 0 3 254.334 -1.290 20 0 CAADHN CN1CCN(C(=O)CCN2CCN(CCO)CC2)CC1 ZINC000429686120 530067053 /nfs/dbraw/zinc/06/70/53/530067053.db2.gz RCZKTCFNPWLAQS-UHFFFAOYSA-N 0 3 284.404 -1.240 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)C[C@H]2COCCN2)CC1 ZINC000262467667 530067282 /nfs/dbraw/zinc/06/72/82/530067282.db2.gz XYWKSNIRASPPMB-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000424132054 530067647 /nfs/dbraw/zinc/06/76/47/530067647.db2.gz KCKAXGSHNCGBFD-ZJUUUORDSA-N 0 3 254.334 -1.386 20 0 CAADHN CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1)C1CCC1 ZINC001191987776 781925197 /nfs/dbraw/zinc/92/51/97/781925197.db2.gz KLXWZRGJTXXXLX-UTUOFQBUSA-N 0 3 299.371 -1.162 20 0 CAADHN COCCCCCN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191987120 781925801 /nfs/dbraw/zinc/92/58/01/781925801.db2.gz GAZKEDXRIWRHLG-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)COCCOC)C1 ZINC001191898598 781926461 /nfs/dbraw/zinc/92/64/61/781926461.db2.gz OIZGORBOGGYIHT-VXGBXAGGSA-N 0 3 290.360 -1.153 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)NCCS(N)(=O)=O ZINC000672768703 545593913 /nfs/dbraw/zinc/59/39/13/545593913.db2.gz KRJUYSHKXCXXSF-ZETCQYMHSA-N 0 3 252.340 -1.476 20 0 CAADHN OCCN(CCN1CCOCC1)C[C@@H](O)Cn1cccn1 ZINC000487493789 545594345 /nfs/dbraw/zinc/59/43/45/545594345.db2.gz BRNGSQSQHDGJQJ-CQSZACIVSA-N 0 3 298.387 -1.130 20 0 CAADHN C[C@@H](F)CCN1C[C@@H](O)[C@H](NC(=O)CC(N)=O)C1 ZINC001191979104 781928851 /nfs/dbraw/zinc/92/88/51/781928851.db2.gz POZIHDSKJUODKJ-IWSPIJDZSA-N 0 3 261.297 -1.229 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000673531846 545594782 /nfs/dbraw/zinc/59/47/82/545594782.db2.gz OOYKGBBLMBJGRP-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1ccc(=O)n(C)n1 ZINC000673524490 545594791 /nfs/dbraw/zinc/59/47/91/545594791.db2.gz WEFAHSMQWSYWIZ-MRVPVSSYSA-N 0 3 254.290 -1.567 20 0 CAADHN O=C(CN1CCOCC1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000673516495 545594851 /nfs/dbraw/zinc/59/48/51/545594851.db2.gz HWMDIDPPZYRITB-STQMWFEESA-N 0 3 283.372 -1.014 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@@H](CO)CN(C)C ZINC000673522518 545594699 /nfs/dbraw/zinc/59/46/99/545594699.db2.gz UXZYKTNPBKSLBG-MRVPVSSYSA-N 0 3 267.351 -2.036 20 0 CAADHN Cn1cnn(CC(=O)NC[C@]2(O)CN3CCC2CC3)c1=O ZINC000673484582 545595298 /nfs/dbraw/zinc/59/52/98/545595298.db2.gz AXSAVVHCCHYZRM-ZDUSSCGKSA-N 0 3 295.343 -1.845 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1C(=O)CN(C)C1=O ZINC000673519616 545595028 /nfs/dbraw/zinc/59/50/28/545595028.db2.gz BISRIOXEVQAFRD-QMMMGPOBSA-N 0 3 272.305 -2.081 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCN1C(=O)CCC1=O ZINC000673521623 545595110 /nfs/dbraw/zinc/59/51/10/545595110.db2.gz DBRUUQGERHOPHB-SECBINFHSA-N 0 3 271.317 -1.436 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1ccc(C(N)=O)cn1 ZINC000673522107 545595122 /nfs/dbraw/zinc/59/51/22/545595122.db2.gz IBWJZFIICLEZPA-VIFPVBQESA-N 0 3 266.301 -1.167 20 0 CAADHN CCS(=O)(=O)NCC(=O)N[C@H](CO)CN(C)C ZINC000673522523 545595140 /nfs/dbraw/zinc/59/51/40/545595140.db2.gz UXZYKTNPBKSLBG-QMMMGPOBSA-N 0 3 267.351 -2.036 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCC(=O)N1CCOCC1 ZINC000673520843 545595181 /nfs/dbraw/zinc/59/51/81/545595181.db2.gz ILORTAURXRYCLL-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1ccc(C(N)=O)cn1 ZINC000673522105 545594947 /nfs/dbraw/zinc/59/49/47/545594947.db2.gz IBWJZFIICLEZPA-SECBINFHSA-N 0 3 266.301 -1.167 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1CSCC1=O ZINC000673520336 545594964 /nfs/dbraw/zinc/59/49/64/545594964.db2.gz DMRJTKREYMSMSA-QMMMGPOBSA-N 0 3 261.347 -1.442 20 0 CAADHN C[C@@H](O)CN(C)C(=O)C(=O)NCCOCCN(C)C ZINC000673351793 545595261 /nfs/dbraw/zinc/59/52/61/545595261.db2.gz GDZWTXXBTICDFS-SNVBAGLBSA-N 0 3 275.349 -1.480 20 0 CAADHN CN1CCO[C@H](C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC000673514412 545595517 /nfs/dbraw/zinc/59/55/17/545595517.db2.gz GAEXEDWMIJDCKU-UPJWGTAASA-N 0 3 283.372 -1.016 20 0 CAADHN C[C@H](C(=O)N[C@H](CO)CN(C)C)N1CCN(C)CC1 ZINC000673520937 545595573 /nfs/dbraw/zinc/59/55/73/545595573.db2.gz MIJPWNYOUKXUCV-NEPJUHHUSA-N 0 3 272.393 -1.339 20 0 CAADHN CN1CCO[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC000673514411 545595616 /nfs/dbraw/zinc/59/56/16/545595616.db2.gz GAEXEDWMIJDCKU-AVGNSLFASA-N 0 3 283.372 -1.016 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1O ZINC001191978509 781929427 /nfs/dbraw/zinc/92/94/27/781929427.db2.gz LBFACURCFKIFMJ-QJPTWQEYSA-N 0 3 299.371 -1.160 20 0 CAADHN COCCN(C)CCNC(=O)c1nc2n(n1)CCCN2 ZINC000673926360 545596103 /nfs/dbraw/zinc/59/61/03/545596103.db2.gz TZHPOEWCACCMSK-UHFFFAOYSA-N 0 3 282.348 -1.341 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCC[C@@](C)(O)C2)[C@@H](CN)C1 ZINC000515233301 282885653 /nfs/dbraw/zinc/88/56/53/282885653.db2.gz XOXIFVLHWLZTQA-SMDDNHRTSA-N 0 3 298.387 -1.539 20 0 CAADHN CN(CCN1CCCC1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000668198904 545591837 /nfs/dbraw/zinc/59/18/37/545591837.db2.gz BBBYSBHEIIACDQ-JHJVBQTASA-N 0 3 284.356 -1.047 20 0 CAADHN C[C@H](CNC(=O)CNS(=O)(=O)N(C)C)N(C)C1CC1 ZINC000668095753 545591581 /nfs/dbraw/zinc/59/15/81/545591581.db2.gz PPTVASHMCHRKKO-SECBINFHSA-N 0 3 292.405 -1.019 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCCCO2)C[C@H]1O ZINC001191978067 781930576 /nfs/dbraw/zinc/93/05/76/781930576.db2.gz IWRYPWDPALYZAU-IJLUTSLNSA-N 0 3 299.371 -1.018 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O ZINC001191979355 781930775 /nfs/dbraw/zinc/93/07/75/781930775.db2.gz SELLLZOTNDDIKT-HBNTYKKESA-N 0 3 285.344 -1.408 20 0 CAADHN O[C@@H]1C[C@H](O)CN(C/C=C\CN2C[C@H](O)C[C@H](O)C2)C1 ZINC000674496742 545598728 /nfs/dbraw/zinc/59/87/28/545598728.db2.gz DFDUAOXDIGMPGT-ZWTHYHLESA-N 0 3 286.372 -1.602 20 0 CAADHN O[C@H](COC[C@@H]1CCCO1)CN1C[C@H](O)C[C@H](O)C1 ZINC000674464697 545598868 /nfs/dbraw/zinc/59/88/68/545598868.db2.gz JPKUKIAKRBEHRI-RNJOBUHISA-N 0 3 275.345 -1.030 20 0 CAADHN CCN1C[C@@H](C)[C@H](NC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000674823072 545599824 /nfs/dbraw/zinc/59/98/24/545599824.db2.gz LGDNCHQDTSGLSH-RKDXNWHRSA-N 0 3 280.332 -1.167 20 0 CAADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C1 ZINC000435705121 283055978 /nfs/dbraw/zinc/05/59/78/283055978.db2.gz HFQFWZLUJSVQFY-GHMZBOCLSA-N 0 3 287.360 -1.084 20 0 CAADHN CCCN(C)CC(=O)N1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435705121 283055981 /nfs/dbraw/zinc/05/59/81/283055981.db2.gz HFQFWZLUJSVQFY-GHMZBOCLSA-N 0 3 287.360 -1.084 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1C[C@@H](C)O[C@H](CO)C1 ZINC000423706633 295892467 /nfs/dbraw/zinc/89/24/67/295892467.db2.gz RFEPMWMXNBYHQL-AEJSXWLSSA-N 0 3 273.333 -1.600 20 0 CAADHN COC(=O)CC[C@@H](N)C(=O)N1CCNC(=O)[C@@H]1C ZINC000343415877 291046697 /nfs/dbraw/zinc/04/66/97/291046697.db2.gz LUUOLEFAQHSJBC-JGVFFNPUSA-N 0 3 257.290 -1.386 20 0 CAADHN COC[C@H](O)CN(C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072565 781933940 /nfs/dbraw/zinc/93/39/40/781933940.db2.gz IEJPQMHBGYTNQA-DTWKUNHWSA-N 0 3 259.306 -1.988 20 0 CAADHN CN1CC[C@@H]2OCCN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC000329053777 283085166 /nfs/dbraw/zinc/08/51/66/283085166.db2.gz XHGQXTKPWNBPII-ZJUUUORDSA-N 0 3 281.316 -1.085 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CN2C(=O)NC(=O)C2(C)C)C1 ZINC000358041850 283099957 /nfs/dbraw/zinc/09/99/57/283099957.db2.gz GEHVJHPLEXPTJE-CYBMUJFWSA-N 0 3 298.343 -1.500 20 0 CAADHN O[C@H](COC[C@H]1CCCO1)CN1C[C@@H](O)[C@@H](O)C1 ZINC000676490117 545602468 /nfs/dbraw/zinc/60/24/68/545602468.db2.gz SKWLBSUUFMVDFA-WHOHXGKFSA-N 0 3 261.318 -1.420 20 0 CAADHN O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1nnc[nH]1 ZINC000676527939 545602425 /nfs/dbraw/zinc/60/24/25/545602425.db2.gz JFFUGDXPODYFTD-NSHDSACASA-N 0 3 294.359 -1.059 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072564 781934578 /nfs/dbraw/zinc/93/45/78/781934578.db2.gz IEJPQMHBGYTNQA-BDAKNGLRSA-N 0 3 259.306 -1.988 20 0 CAADHN CN1CC[C@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000358060565 283163866 /nfs/dbraw/zinc/16/38/66/283163866.db2.gz FHOFZLBCTYMPLD-JQWIXIFHSA-N 0 3 257.334 -1.500 20 0 CAADHN COC(=O)CSCCNC(=O)[C@@H](CN)OC ZINC000353173476 291100550 /nfs/dbraw/zinc/10/05/50/291100550.db2.gz DBVLYQYBKASZMF-SSDOTTSWSA-N 0 3 250.320 -1.018 20 0 CAADHN CC(C(=O)NC[C@H]1CN2CCN1CC2)S(C)(=O)=O ZINC000676587597 545603422 /nfs/dbraw/zinc/60/34/22/545603422.db2.gz RGCXSXKRQCWZCG-ZJUUUORDSA-N 0 3 275.374 -1.465 20 0 CAADHN COC[C@@H](O)CN(C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192072566 781935091 /nfs/dbraw/zinc/93/50/91/781935091.db2.gz IEJPQMHBGYTNQA-IUCAKERBSA-N 0 3 259.306 -1.988 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001192061490 781935167 /nfs/dbraw/zinc/93/51/67/781935167.db2.gz UKNWKUOQYVPBKF-LLVKDONJSA-N 0 3 299.371 -1.207 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CNC(=O)C1CC1 ZINC000676998664 545603591 /nfs/dbraw/zinc/60/35/91/545603591.db2.gz ZGUPQOOHOBSOJH-LBPRGKRZSA-N 0 3 257.334 -1.059 20 0 CAADHN CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000340631780 283274320 /nfs/dbraw/zinc/27/43/20/283274320.db2.gz QWINEISFPNDLNZ-UHFFFAOYSA-N 0 3 256.350 -1.125 20 0 CAADHN NC(=O)[C@@H]1CCCC[C@@H]1NCC(=O)N1CCNC(=O)C1 ZINC000184801007 283317542 /nfs/dbraw/zinc/31/75/42/283317542.db2.gz DUVVRNSVFLNKQQ-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)C[C@H](C)NCCNS(=O)(=O)NC(C)C ZINC000429417831 283335275 /nfs/dbraw/zinc/33/52/75/283335275.db2.gz HPEOKNZIDBQXIS-VIFPVBQESA-N 0 3 280.394 -1.067 20 0 CAADHN CNC(=O)NC(=O)CN1CC[C@](C)(C(=O)NC)C1 ZINC000281137820 283356029 /nfs/dbraw/zinc/35/60/29/283356029.db2.gz OQAIHOWBLANEMA-NSHDSACASA-N 0 3 256.306 -1.100 20 0 CAADHN CNC(=O)N[C@@H]1CCN(CCC(=O)NC(N)=O)C1 ZINC000342335681 283373998 /nfs/dbraw/zinc/37/39/98/283373998.db2.gz HVCYVJFRYKVSBF-SSDOTTSWSA-N 0 3 257.294 -1.425 20 0 CAADHN CC(C(=O)NC[C@@H]1CN2CCN1CC2)S(C)(=O)=O ZINC000676587596 545604104 /nfs/dbraw/zinc/60/41/04/545604104.db2.gz RGCXSXKRQCWZCG-VHSXEESVSA-N 0 3 275.374 -1.465 20 0 CAADHN CC(C(=O)NC[C@@H]1CN2CCN1CC2)S(C)(=O)=O ZINC000676587594 545604063 /nfs/dbraw/zinc/60/40/63/545604063.db2.gz RGCXSXKRQCWZCG-NXEZZACHSA-N 0 3 275.374 -1.465 20 0 CAADHN COC(=O)N(C)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000496322658 291174396 /nfs/dbraw/zinc/17/43/96/291174396.db2.gz JBVAPVQGNFTPFX-VIFPVBQESA-N 0 3 258.322 -1.214 20 0 CAADHN COC(=O)N1CC(NC[C@@H](O)CN2CCOCC2)C1 ZINC000496173347 291181014 /nfs/dbraw/zinc/18/10/14/291181014.db2.gz OUPJENJSHGDBLN-LLVKDONJSA-N 0 3 273.333 -1.280 20 0 CAADHN CCOCCN1C[C@@H](O)[C@H](NC(=O)CCc2nnc[nH]2)C1 ZINC001192110425 781937747 /nfs/dbraw/zinc/93/77/47/781937747.db2.gz ZKWXQOCWKOZYMW-GHMZBOCLSA-N 0 3 297.359 -1.065 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1CN(CCCOC)C[C@H]1O ZINC001192374389 781942554 /nfs/dbraw/zinc/94/25/54/781942554.db2.gz DKNPBFAXQYRRJE-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCN(C[C@@H]2CNC(=O)C2)C1 ZINC001192391261 781942722 /nfs/dbraw/zinc/94/27/22/781942722.db2.gz RFQKGVVLTDZHQS-DTWKUNHWSA-N 0 3 261.347 -1.254 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001192468280 781945106 /nfs/dbraw/zinc/94/51/06/781945106.db2.gz WXAJLGHXGMRPAW-FXBDTBDDSA-N 0 3 270.333 -1.386 20 0 CAADHN CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC(=O)NC)C1)OC ZINC001192462510 781946396 /nfs/dbraw/zinc/94/63/96/781946396.db2.gz GICRVUPCWYAMNY-GMTAPVOTSA-N 0 3 287.360 -1.291 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001192462822 781947271 /nfs/dbraw/zinc/94/72/71/781947271.db2.gz KOELJALARUASDD-IJLUTSLNSA-N 0 3 299.371 -1.290 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC001192445497 781947698 /nfs/dbraw/zinc/94/76/98/781947698.db2.gz YVOPJPIICZEUMU-IVZWLZJFSA-N 0 3 272.349 -1.140 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192836655 781956988 /nfs/dbraw/zinc/95/69/88/781956988.db2.gz AVTFAUJRBSXFJQ-NSHDSACASA-N 0 3 297.359 -1.030 20 0 CAADHN CCNC(=O)CN(C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000677867037 545605825 /nfs/dbraw/zinc/60/58/25/545605825.db2.gz UCBXEQQZKWRCPH-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN COC[C@H](O)CN1CCC(S(N)(=O)=O)CC1 ZINC001192918258 781959889 /nfs/dbraw/zinc/95/98/89/781959889.db2.gz KCLSNEWSNKZUGT-MRVPVSSYSA-N 0 3 252.336 -1.253 20 0 CAADHN COC[C@@H](O)CN1CCC(S(N)(=O)=O)CC1 ZINC001192918264 781959861 /nfs/dbraw/zinc/95/98/61/781959861.db2.gz KCLSNEWSNKZUGT-QMMMGPOBSA-N 0 3 252.336 -1.253 20 0 CAADHN C[C@H](CC(N)=O)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000677895298 545606334 /nfs/dbraw/zinc/60/63/34/545606334.db2.gz CVQOBGZGJDFOIP-ZJUUUORDSA-N 0 3 254.334 -1.244 20 0 CAADHN NC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000677944779 545606671 /nfs/dbraw/zinc/60/66/71/545606671.db2.gz YNHMBKWOHWIDRV-MNOVXSKESA-N 0 3 281.360 -1.355 20 0 CAADHN CN(C)[C@H]1CN(C(=O)c2cccnc2C(N)=O)C[C@@H]1O ZINC000574290513 335007689 /nfs/dbraw/zinc/00/76/89/335007689.db2.gz SOLQKQUIHDUGAR-UWVGGRQHSA-N 0 3 278.312 -1.073 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCO1 ZINC000574308224 335008784 /nfs/dbraw/zinc/00/87/84/335008784.db2.gz VAVSTMKATCSRPE-QWRGUYRKSA-N 0 3 284.360 -1.665 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000574308201 335009037 /nfs/dbraw/zinc/00/90/37/335009037.db2.gz RVFPRSHPGHHNDS-LLVKDONJSA-N 0 3 294.355 -1.231 20 0 CAADHN NC(=O)N[C@H]1CCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000677944781 545606860 /nfs/dbraw/zinc/60/68/60/545606860.db2.gz YNHMBKWOHWIDRV-WDEREUQCSA-N 0 3 281.360 -1.355 20 0 CAADHN C[C@@H](CC(N)=O)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000677895297 545606874 /nfs/dbraw/zinc/60/68/74/545606874.db2.gz CVQOBGZGJDFOIP-VHSXEESVSA-N 0 3 254.334 -1.244 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCN(C)C ZINC000176379890 296139748 /nfs/dbraw/zinc/13/97/48/296139748.db2.gz NUHOKFAETMHNOD-MRVPVSSYSA-N 0 3 251.352 -1.056 20 0 CAADHN CCN(C(=O)CN(C)C1CNC1)[C@@H]1CCS(=O)(=O)C1 ZINC000090290173 284147082 /nfs/dbraw/zinc/14/70/82/284147082.db2.gz VUMQBMCXKHSPST-SNVBAGLBSA-N 0 3 289.401 -1.074 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CCOC1CNC1 ZINC000516293577 284198679 /nfs/dbraw/zinc/19/86/79/284198679.db2.gz JXUVRLCQAYMCCD-JQWIXIFHSA-N 0 3 286.328 -1.110 20 0 CAADHN COC(=O)C[C@H](N)C(=O)N[C@H]1CNCCC1(F)F ZINC000574399007 335016248 /nfs/dbraw/zinc/01/62/48/335016248.db2.gz SYFQGXIDCJRECN-BQBZGAKWSA-N 0 3 265.260 -1.010 20 0 CAADHN COC(=O)C[C@H](N)C(=O)N[C@@H]1CNCCC1(F)F ZINC000574399008 335016326 /nfs/dbraw/zinc/01/63/26/335016326.db2.gz SYFQGXIDCJRECN-NKWVEPMBSA-N 0 3 265.260 -1.010 20 0 CAADHN C[C@@H](O)CN(CCO)CCCS(=O)(=O)N(C)C ZINC000336722756 296179890 /nfs/dbraw/zinc/17/98/90/296179890.db2.gz TUXUNPCCAUMMPZ-SNVBAGLBSA-N 0 3 268.379 -1.057 20 0 CAADHN C[C@@H](O)CN(CCO)C[C@H](O)CN1CCOCC1 ZINC000336793463 296180179 /nfs/dbraw/zinc/18/01/79/296180179.db2.gz WUJTYYCFHYOZOJ-VXGBXAGGSA-N 0 3 262.350 -1.645 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCN1CCCC1=O ZINC000584001845 372793294 /nfs/dbraw/zinc/79/32/94/372793294.db2.gz BFJLKQGPWKXZQM-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN COC[C@H](C)S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000399665900 372768215 /nfs/dbraw/zinc/76/82/15/372768215.db2.gz AWHRLDODLPHVCU-VHSXEESVSA-N 0 3 265.379 -1.074 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N(C)C[C@H]1CCCN1C ZINC000616385852 372773220 /nfs/dbraw/zinc/77/32/20/372773220.db2.gz IRMOAWAAFAHZQE-SNVBAGLBSA-N 0 3 292.405 -1.065 20 0 CAADHN CCN1CC[C@H]2OCCN(CC(=O)NC(N)=O)[C@H]2C1 ZINC000332693165 372775005 /nfs/dbraw/zinc/77/50/05/372775005.db2.gz KRVXSOLDGWCFPU-VHSXEESVSA-N 0 3 270.333 -1.024 20 0 CAADHN CN(C[C@H](O)C1CC1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000643576971 372777142 /nfs/dbraw/zinc/77/71/42/372777142.db2.gz VGDJPMYIUWZPEJ-NEPJUHHUSA-N 0 3 298.387 -1.683 20 0 CAADHN CCN1CCN(C(=O)C(=O)N2CCCNCC2)CC1 ZINC000036192959 372781428 /nfs/dbraw/zinc/78/14/28/372781428.db2.gz QFNHMDPDDWTFLA-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN CC[C@@H](O)CN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000533382112 372781965 /nfs/dbraw/zinc/78/19/65/372781965.db2.gz BBGSFXNRMHVFFS-GRYCIOLGSA-N 0 3 292.401 -1.155 20 0 CAADHN CN(C)S(=O)(=O)N1CC(Nc2nc(N)nc(N)n2)C1 ZINC000624709552 372782550 /nfs/dbraw/zinc/78/25/50/372782550.db2.gz WRYAMAMICVCPPT-UHFFFAOYSA-N 0 3 288.337 -2.979 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCN2C(=O)CNC2=O)C1 ZINC000553126694 372820556 /nfs/dbraw/zinc/82/05/56/372820556.db2.gz QOIHUFSRQZPZCW-SECBINFHSA-N 0 3 268.317 -1.004 20 0 CAADHN C[C@@H](Nc1nc(N)nc(N)n1)[C@H]1CN(C)CCO1 ZINC000624051405 372823368 /nfs/dbraw/zinc/82/33/68/372823368.db2.gz BRYZWHXEYIUDCY-RNFRBKRXSA-N 0 3 253.310 -1.750 20 0 CAADHN C[C@@H](Nc1nc(N)nc(N)n1)[C@@H]1CN(C)CCO1 ZINC000624051406 372824369 /nfs/dbraw/zinc/82/43/69/372824369.db2.gz BRYZWHXEYIUDCY-RQJHMYQMSA-N 0 3 253.310 -1.750 20 0 CAADHN CC(C)[C@H](N)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000574414427 335018045 /nfs/dbraw/zinc/01/80/45/335018045.db2.gz RIOYHDZNIDMRTB-GUBZILKMSA-N 0 3 254.334 -1.260 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCOC[C@@H](O)C1 ZINC000399868303 372801053 /nfs/dbraw/zinc/80/10/53/372801053.db2.gz BBGOLCFXJSJJBK-RYUDHWBXSA-N 0 3 262.350 -1.381 20 0 CAADHN CN(C[C@H](O)CN1CC(NS(C)(=O)=O)C1)C1CC1 ZINC000634650728 372802402 /nfs/dbraw/zinc/80/24/02/372802402.db2.gz STAZNQFZNYUUOP-NSHDSACASA-N 0 3 277.390 -1.325 20 0 CAADHN O[C@H](CNC[C@H](O)CN1CCOCC1)C(F)F ZINC000236532652 372804811 /nfs/dbraw/zinc/80/48/11/372804811.db2.gz KTJCYWYZOBWUIB-DTWKUNHWSA-N 0 3 254.277 -1.105 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CCC(=O)NC2)[C@@H](CN)C1 ZINC000123161128 372807628 /nfs/dbraw/zinc/80/76/28/372807628.db2.gz JSYRDMCFIZYNLL-ZJUUUORDSA-N 0 3 254.334 -1.386 20 0 CAADHN C[C@H]1C[C@H](NC(=O)C(=O)NC2CNC2)CN1C1CC1 ZINC000642718075 372807748 /nfs/dbraw/zinc/80/77/48/372807748.db2.gz AQDQRJQRZLTVSS-IUCAKERBSA-N 0 3 266.345 -1.184 20 0 CAADHN C[C@H](C(=O)N1CCN(C)C[C@@H]1CN)n1cncn1 ZINC000122595596 372808325 /nfs/dbraw/zinc/80/83/25/372808325.db2.gz KVRISJBADGWRIV-ZJUUUORDSA-N 0 3 252.322 -1.060 20 0 CAADHN COCCCS(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000122684290 372808409 /nfs/dbraw/zinc/80/84/09/372808409.db2.gz PRTZYGMJICNTCQ-SNVBAGLBSA-N 0 3 265.379 -1.073 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000126049003 372808434 /nfs/dbraw/zinc/80/84/34/372808434.db2.gz CGFDHLOEECDFNI-ONGXEEELSA-N 0 3 284.360 -1.190 20 0 CAADHN Cc1n[nH]cc1S(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000122679126 372808884 /nfs/dbraw/zinc/80/88/84/372808884.db2.gz BJGUIWBZBRQISK-VIFPVBQESA-N 0 3 273.362 -1.018 20 0 CAADHN C[C@@H](C(=O)N1CCN(C)C[C@@H]1CN)S(C)(=O)=O ZINC000135244389 372809275 /nfs/dbraw/zinc/80/92/75/372809275.db2.gz CFDSSNJOMDUHIX-IUCAKERBSA-N 0 3 263.363 -1.479 20 0 CAADHN CC(=O)N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000019976575 372813802 /nfs/dbraw/zinc/81/38/02/372813802.db2.gz SKNOIJUOKZBDHK-UHFFFAOYSA-N 0 3 254.334 -1.418 20 0 CAADHN O[C@H](CNCCN1CCCOCC1)CN1CCOCC1 ZINC000584049201 372813903 /nfs/dbraw/zinc/81/39/03/372813903.db2.gz HQWPVZWOSRAGGA-CQSZACIVSA-N 0 3 287.404 -1.009 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC000625363311 372814736 /nfs/dbraw/zinc/81/47/36/372814736.db2.gz UZOZXESILBPMRQ-SNVBAGLBSA-N 0 3 298.343 -1.283 20 0 CAADHN CN(C)CCN1CCN(C(=O)Cc2cnnn2C)CC1=O ZINC000616519309 372830072 /nfs/dbraw/zinc/83/00/72/372830072.db2.gz LLTZHKBXTVIXKV-UHFFFAOYSA-N 0 3 294.359 -1.410 20 0 CAADHN COC[C@@H](OC)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000616519589 372830197 /nfs/dbraw/zinc/83/01/97/372830197.db2.gz RGJPJRKXOMWYCT-LLVKDONJSA-N 0 3 287.360 -1.120 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CC(=O)N2)CC1=O ZINC000616519898 372830268 /nfs/dbraw/zinc/83/02/68/372830268.db2.gz YGLDFZPVRIQUAJ-SECBINFHSA-N 0 3 268.317 -1.893 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CCNC2=O)CC1=O ZINC000616519623 372830555 /nfs/dbraw/zinc/83/05/55/372830555.db2.gz SDAVDEAKGFVZNV-JTQLQIEISA-N 0 3 282.344 -1.645 20 0 CAADHN COC[C@H](OC)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000616519590 372830775 /nfs/dbraw/zinc/83/07/75/372830775.db2.gz RGJPJRKXOMWYCT-NSHDSACASA-N 0 3 287.360 -1.120 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000624349492 372854766 /nfs/dbraw/zinc/85/47/66/372854766.db2.gz NKQZMZYGLPDNRB-RXMQYKEDSA-N 0 3 273.322 -2.436 20 0 CAADHN Nc1nc(N)nc(NC[C@@H](CO)c2cccnc2)n1 ZINC000624224394 372831954 /nfs/dbraw/zinc/83/19/54/372831954.db2.gz UNGCYMBCYVBQLR-QMMMGPOBSA-N 0 3 261.289 -1.298 20 0 CAADHN CCNC(=O)CN(C)C(=O)CN1CCCC[C@H](N)C1=O ZINC000643648826 372832215 /nfs/dbraw/zinc/83/22/15/372832215.db2.gz WNIWJUITJQYBDG-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN COC[C@H](OC)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000616702928 372836211 /nfs/dbraw/zinc/83/62/11/372836211.db2.gz KAEZDUUZVWBXHJ-AXFHLTTASA-N 0 3 258.318 -1.075 20 0 CAADHN C[C@H]1OCCN[C@@H]1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565550593 372836503 /nfs/dbraw/zinc/83/65/03/372836503.db2.gz SJZPWKCFJAWDIP-RCWTZXSCSA-N 0 3 282.344 -1.866 20 0 CAADHN CN1C[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)NC1=O ZINC000616703051 372836691 /nfs/dbraw/zinc/83/66/91/372836691.db2.gz NXDSJUQKWQPPHP-IVZWLZJFSA-N 0 3 268.317 -1.713 20 0 CAADHN CS(=O)(=O)N1CC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000624349493 372855066 /nfs/dbraw/zinc/85/50/66/372855066.db2.gz NKQZMZYGLPDNRB-YFKPBYRVSA-N 0 3 273.322 -2.436 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCN(CCO)C[C@@H]1C ZINC000568181077 372839332 /nfs/dbraw/zinc/83/93/32/372839332.db2.gz JUZRRWPTCJCDKB-UONOGXRCSA-N 0 3 289.420 -1.076 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)CN1CCCC[C@H](N)C1=O ZINC000643667925 372839943 /nfs/dbraw/zinc/83/99/43/372839943.db2.gz VBPHKAUBYKCVGP-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C(=O)C2)C1 ZINC000556795358 372841369 /nfs/dbraw/zinc/84/13/69/372841369.db2.gz ICSRIMNPJZVHOU-LLVKDONJSA-N 0 3 296.371 -1.160 20 0 CAADHN CN(c1nc(N)nc(N)n1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000624238698 372841668 /nfs/dbraw/zinc/84/16/68/372841668.db2.gz WUYSNHRMSSDDAE-ZCFIWIBFSA-N 0 3 287.349 -1.833 20 0 CAADHN COCCN(C)C[C@H](O)CN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000310878599 372843907 /nfs/dbraw/zinc/84/39/07/372843907.db2.gz NFRPLTBJLDVLDV-LPEHRKFASA-N 0 3 256.302 -1.070 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)[C@@H]1COC[C@H]1O ZINC000556831088 372843969 /nfs/dbraw/zinc/84/39/69/372843969.db2.gz KRRQMEDMIFPSKE-QJPTWQEYSA-N 0 3 260.334 -1.629 20 0 CAADHN CCN1CC[C@H]2OCCN(c3nc(N)nc(N)n3)[C@H]2C1 ZINC000624245418 372844298 /nfs/dbraw/zinc/84/42/98/372844298.db2.gz BZPWRCYJJDYWND-DTWKUNHWSA-N 0 3 279.348 -1.004 20 0 CAADHN C[C@H](N)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000163788477 372845020 /nfs/dbraw/zinc/84/50/20/372845020.db2.gz VFYHVFWPGRJKFD-NSHDSACASA-N 0 3 284.360 -1.663 20 0 CAADHN C[C@@H]1CN(CCO)CCN1c1nc(N)nc(N)n1 ZINC000624266129 372846127 /nfs/dbraw/zinc/84/61/27/372846127.db2.gz GQXTWBLLNXJWOT-SSDOTTSWSA-N 0 3 253.310 -1.800 20 0 CAADHN CN1CCC[C@H](NC(=O)NCCNS(C)(=O)=O)C1 ZINC000052522224 372847000 /nfs/dbraw/zinc/84/70/00/372847000.db2.gz AWFDXHMDTBWJNL-VIFPVBQESA-N 0 3 278.378 -1.071 20 0 CAADHN Nc1nc(N)nc(N[C@@H](CO)[C@@H]2CCCOC2)n1 ZINC000624279635 372847658 /nfs/dbraw/zinc/84/76/58/372847658.db2.gz YFFKACFHGRWHIF-RQJHMYQMSA-N 0 3 254.294 -1.682 20 0 CAADHN C[C@H]1CN(CCO)CCN1c1nc(N)nc(N)n1 ZINC000624266130 372847894 /nfs/dbraw/zinc/84/78/94/372847894.db2.gz GQXTWBLLNXJWOT-ZETCQYMHSA-N 0 3 253.310 -1.800 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2CCc3nnnn3CC2)n1 ZINC000624288521 372850509 /nfs/dbraw/zinc/85/05/09/372850509.db2.gz OSLCXGGUISDLBZ-RXMQYKEDSA-N 0 3 262.281 -2.078 20 0 CAADHN CCNC(=O)C(C)(C)CNc1nc(N)nc(N)n1 ZINC000624055896 372850576 /nfs/dbraw/zinc/85/05/76/372850576.db2.gz RWLZGVDMTMBKNU-UHFFFAOYSA-N 0 3 253.310 -1.307 20 0 CAADHN Nc1nc(N)nc(NCC[C@@]2(O)CCCOC2)n1 ZINC000624354571 372855728 /nfs/dbraw/zinc/85/57/28/372855728.db2.gz JVWPVNVZYVNOMV-JTQLQIEISA-N 0 3 254.294 -1.538 20 0 CAADHN C[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)N(C)C ZINC000048162789 372853137 /nfs/dbraw/zinc/85/31/37/372853137.db2.gz SUGHIMWLPFCLBO-VIFPVBQESA-N 0 3 268.317 -1.387 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C[C@@H](O)CO)c1)N(C)C ZINC000616489023 372827853 /nfs/dbraw/zinc/82/78/53/372827853.db2.gz IETSCMYXBPVSGA-GXSJLCMTSA-N 0 3 270.333 -1.084 20 0 CAADHN C[C@@H](CNC(=O)CCNS(C)(=O)=O)N(C)C ZINC000616488116 372827981 /nfs/dbraw/zinc/82/79/81/372827981.db2.gz LWKBUCIGBAANCQ-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CCNC1=O ZINC000616478319 372828132 /nfs/dbraw/zinc/82/81/32/372828132.db2.gz OXEUYLKMPIKPTI-ZJUUUORDSA-N 0 3 282.344 -1.299 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)N(C)C ZINC000616489286 372828473 /nfs/dbraw/zinc/82/84/73/372828473.db2.gz URRSNRXYDLNPIU-UWVGGRQHSA-N 0 3 292.405 -1.032 20 0 CAADHN CNC(=O)CCNC(=O)CN1CCCC[C@@H](N)C1=O ZINC000643643739 372828549 /nfs/dbraw/zinc/82/85/49/372828549.db2.gz JDUSSHDPQITGQX-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C[C@@H]1CC(=O)N1 ZINC000616478387 372829061 /nfs/dbraw/zinc/82/90/61/372829061.db2.gz QXTGXRLWSJQYKS-UWVGGRQHSA-N 0 3 282.344 -1.157 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)CN2CCNCC2)CCO1 ZINC000156967148 372863310 /nfs/dbraw/zinc/86/33/10/372863310.db2.gz XZUMEONQDGGOEK-JTQLQIEISA-N 0 3 271.317 -1.708 20 0 CAADHN CNC(=O)CCN1C[C@@H](O)[C@H](Oc2cnn(C)c2)C1 ZINC000625624402 372869973 /nfs/dbraw/zinc/86/99/73/372869973.db2.gz KLJYUDLXELTKOS-GHMZBOCLSA-N 0 3 268.317 -1.020 20 0 CAADHN CN(C)CC[C@](C)(O)CNC(=O)C1(n2cnnn2)CC1 ZINC000621960584 372873216 /nfs/dbraw/zinc/87/32/16/372873216.db2.gz ZVZJZERFBCASJP-NSHDSACASA-N 0 3 282.348 -1.019 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN2CCCO)O1 ZINC000627570822 372873788 /nfs/dbraw/zinc/87/37/88/372873788.db2.gz XCSVRCRGMVBCQF-GRYCIOLGSA-N 0 3 299.371 -1.018 20 0 CAADHN COC(=O)C[C@@H](O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000600463592 372876642 /nfs/dbraw/zinc/87/66/42/372876642.db2.gz MOIMEROHOCUXOV-GHMZBOCLSA-N 0 3 285.344 -1.584 20 0 CAADHN CCN1CCN(CCNC(=O)COCC(=O)OC)CC1 ZINC000588724826 372878804 /nfs/dbraw/zinc/87/88/04/372878804.db2.gz FUDREUGXQZERBO-UHFFFAOYSA-N 0 3 287.360 -1.070 20 0 CAADHN C[C@H]1CN(CCNc2nc(N)nc(N)n2)[C@@H](C)CO1 ZINC000624392523 372856743 /nfs/dbraw/zinc/85/67/43/372856743.db2.gz SUDPGBGWBQWLGZ-YUMQZZPRSA-N 0 3 267.337 -1.360 20 0 CAADHN Cn1nnc2c1CC[C@H](Nc1nc(N)nc(N)n1)C2 ZINC000624374572 372856810 /nfs/dbraw/zinc/85/68/10/372856810.db2.gz UJMSYRWYLLYABE-YFKPBYRVSA-N 0 3 261.293 -1.783 20 0 CAADHN C[C@@H]1CN(CCNc2nc(N)nc(N)n2)[C@@H](C)CO1 ZINC000624392521 372857776 /nfs/dbraw/zinc/85/77/76/372857776.db2.gz SUDPGBGWBQWLGZ-JGVFFNPUSA-N 0 3 267.337 -1.360 20 0 CAADHN COC[C@H](Nc1nc(N)nc(N)n1)C1CCOCC1 ZINC000624385924 372858059 /nfs/dbraw/zinc/85/80/59/372858059.db2.gz UESRDZIEZFIVEP-QMMMGPOBSA-N 0 3 268.321 -1.028 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)N(C)C ZINC000126127252 372879398 /nfs/dbraw/zinc/87/93/98/372879398.db2.gz SQAWNQFGCOJTNC-WPRPVWTQSA-N 0 3 272.349 -1.321 20 0 CAADHN CN(C)C(=O)N(C)[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624408180 372858427 /nfs/dbraw/zinc/85/84/27/372858427.db2.gz IHRNIQRFQRACFE-SSDOTTSWSA-N 0 3 280.336 -1.111 20 0 CAADHN Nc1nc(N)nc(NCCN2C[C@H]3CCCCN3C2=O)n1 ZINC000624408353 372858544 /nfs/dbraw/zinc/85/85/44/372858544.db2.gz PEDPNWCPSWVLEB-MRVPVSSYSA-N 0 3 292.347 -1.179 20 0 CAADHN CCN(C)CCNC(=O)NCCNS(C)(=O)=O ZINC000066987654 372862520 /nfs/dbraw/zinc/86/25/20/372862520.db2.gz MZSSUYGSPXHOLF-UHFFFAOYSA-N 0 3 266.367 -1.214 20 0 CAADHN C[NH+](C)CC(C)(C)NC(=O)CN1CC(=O)[N-]C1=O ZINC000622098472 372890136 /nfs/dbraw/zinc/89/01/36/372890136.db2.gz CYDPWBJAUCQXFD-UHFFFAOYSA-N 0 3 256.306 -1.005 20 0 CAADHN COC(=O)COCCNC[C@H](O)CN1CCOCC1 ZINC000600754876 372892639 /nfs/dbraw/zinc/89/26/39/372892639.db2.gz CSABMLYCCJAYMR-NSHDSACASA-N 0 3 276.333 -1.541 20 0 CAADHN COC(=O)[C@H]1CNCCCN1CCS(=O)(=O)N(C)C ZINC000600712625 372892647 /nfs/dbraw/zinc/89/26/47/372892647.db2.gz YVJVWQFSDFHCIA-SNVBAGLBSA-N 0 3 293.389 -1.285 20 0 CAADHN CN(C)S(=O)(=O)CCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000600711633 372893124 /nfs/dbraw/zinc/89/31/24/372893124.db2.gz SYIBLJKWABWQSD-NXEZZACHSA-N 0 3 290.389 -1.878 20 0 CAADHN CN(C)CCN1C(=O)C[C@@H](N2CCn3cnnc3C2)C1=O ZINC000600796633 372894525 /nfs/dbraw/zinc/89/45/25/372894525.db2.gz NVISTSDWVVIYGU-SNVBAGLBSA-N 0 3 292.343 -1.217 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000627355962 372895408 /nfs/dbraw/zinc/89/54/08/372895408.db2.gz VAIDSVKSWUMJJT-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN COCCNCC(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000400196289 372900318 /nfs/dbraw/zinc/90/03/18/372900318.db2.gz BWRNQKLTTQGMSL-VIFPVBQESA-N 0 3 279.362 -1.628 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCC[C@H]1C(N)=O ZINC000625869770 372883575 /nfs/dbraw/zinc/88/35/75/372883575.db2.gz GYXNZWQGOVKWGT-QWRGUYRKSA-N 0 3 259.350 -1.125 20 0 CAADHN COCC(=O)N(C)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000518530748 372886678 /nfs/dbraw/zinc/88/66/78/372886678.db2.gz CVHQESYUASWBMP-JTQLQIEISA-N 0 3 272.349 -1.808 20 0 CAADHN C[C@@H]1[C@H](CO)CCCN1C(=O)C(=O)NC1CNC1 ZINC000642925890 372924606 /nfs/dbraw/zinc/92/46/06/372924606.db2.gz IOYNWEINRRKQMN-BDAKNGLRSA-N 0 3 255.318 -1.306 20 0 CAADHN NCC(=O)NCC(=O)N1CCN(CC2CC2)CC1 ZINC000037816852 372908141 /nfs/dbraw/zinc/90/81/41/372908141.db2.gz RQEWWPTYZGPBAL-UHFFFAOYSA-N 0 3 254.334 -1.385 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000643773616 372908488 /nfs/dbraw/zinc/90/84/88/372908488.db2.gz HSFVCRYXIHXRBB-OUAUKWLOSA-N 0 3 287.385 -1.335 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@H](O)CN1 ZINC000037811675 372909367 /nfs/dbraw/zinc/90/93/67/372909367.db2.gz AYGZMWNAWNQLIY-ZJUUUORDSA-N 0 3 273.333 -1.728 20 0 CAADHN CC(C)CN1CCN(C(=O)CNC(=O)CN)CC1 ZINC000037821738 372909863 /nfs/dbraw/zinc/90/98/63/372909863.db2.gz FZBJJUVCXUTKBU-UHFFFAOYSA-N 0 3 256.350 -1.139 20 0 CAADHN CNCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000237198763 372912276 /nfs/dbraw/zinc/91/22/76/372912276.db2.gz HUDAVLGINVMADF-UHFFFAOYSA-N 0 3 284.360 -1.791 20 0 CAADHN CN(CCN1C(=O)CNC1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626037938 372914578 /nfs/dbraw/zinc/91/45/78/372914578.db2.gz KHNGHSFMRJNRDN-OCAPTIKFSA-N 0 3 254.290 -1.266 20 0 CAADHN CC(C)CN1CCN(C(=O)C(=O)NC2CNC2)CC1=O ZINC000642924574 372924854 /nfs/dbraw/zinc/92/48/54/372924854.db2.gz GUKPYRRFLRTZPS-UHFFFAOYSA-N 0 3 282.344 -1.599 20 0 CAADHN CNCC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000237224472 372915440 /nfs/dbraw/zinc/91/54/40/372915440.db2.gz LGQNOGUNBFDNJI-UHFFFAOYSA-N 0 3 278.360 -1.066 20 0 CAADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)CN)CC1 ZINC000237214619 372915496 /nfs/dbraw/zinc/91/54/96/372915496.db2.gz QBLNXBLCBFMQSF-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN CNCC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000237200713 372915605 /nfs/dbraw/zinc/91/56/05/372915605.db2.gz WQRCMGYREAFVEE-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCO[C@@H](CC(N)=O)C1 ZINC000626075959 372918616 /nfs/dbraw/zinc/91/86/16/372918616.db2.gz ALHZTMBRKAONPN-RYUDHWBXSA-N 0 3 289.376 -1.498 20 0 CAADHN CN(C)CCOCCNC(=O)c1nc2n(n1)CCCN2 ZINC000643784312 372925163 /nfs/dbraw/zinc/92/51/63/372925163.db2.gz QFKRGJHJXXITIB-UHFFFAOYSA-N 0 3 282.348 -1.341 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCO[C@H](CC(N)=O)C1 ZINC000626075958 372919159 /nfs/dbraw/zinc/91/91/59/372919159.db2.gz ALHZTMBRKAONPN-NWDGAFQWSA-N 0 3 289.376 -1.498 20 0 CAADHN COCCN(C)CCNC(=O)CCNS(C)(=O)=O ZINC000588936271 372922099 /nfs/dbraw/zinc/92/20/99/372922099.db2.gz UXTJFTGAGIFQFV-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN CO[C@@H]1CC[C@@H](NC(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000562827982 372952109 /nfs/dbraw/zinc/95/21/09/372952109.db2.gz JRUKRAIJAOQQLW-IJLUTSLNSA-N 0 3 298.387 -1.229 20 0 CAADHN Cn1cc(N2CCN(C(=O)C(=O)NC3CNC3)CC2)cn1 ZINC000642925913 372925608 /nfs/dbraw/zinc/92/56/08/372925608.db2.gz VINBLVKHCDKBPU-UHFFFAOYSA-N 0 3 292.343 -1.843 20 0 CAADHN C[C@H]1[C@@H](CO)CCCN1C(=O)C(=O)NC1CNC1 ZINC000642925891 372925760 /nfs/dbraw/zinc/92/57/60/372925760.db2.gz IOYNWEINRRKQMN-DTWKUNHWSA-N 0 3 255.318 -1.306 20 0 CAADHN CC(C)OCCN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000642925868 372925839 /nfs/dbraw/zinc/92/58/39/372925839.db2.gz BWLCFROZYGSFKG-UHFFFAOYSA-N 0 3 298.387 -1.356 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCCC[C@H]1CCO ZINC000642925864 372926487 /nfs/dbraw/zinc/92/64/87/372926487.db2.gz ALFLDNCYPKPNEY-JTQLQIEISA-N 0 3 255.318 -1.162 20 0 CAADHN Cc1c(S(=O)(=O)NC[C@@H]2CNCCO2)cnn1C ZINC000310987942 372927473 /nfs/dbraw/zinc/92/74/73/372927473.db2.gz KUFNVNDKYQAFAV-VIFPVBQESA-N 0 3 274.346 -1.005 20 0 CAADHN COC(=O)CNC(=O)CCN1CCNC(=O)C[C@H]1C ZINC000363489674 372930594 /nfs/dbraw/zinc/93/05/94/372930594.db2.gz MDJIUEFYZDKPAX-SECBINFHSA-N 0 3 271.317 -1.124 20 0 CAADHN CN1CCC(NS(=O)(=O)C[C@H]2CNCCO2)CC1 ZINC000385722165 372931087 /nfs/dbraw/zinc/93/10/87/372931087.db2.gz NESKPHVUTIZTGG-LLVKDONJSA-N 0 3 277.390 -1.012 20 0 CAADHN CN1CCC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000600965054 372932915 /nfs/dbraw/zinc/93/29/15/372932915.db2.gz FJAWFABGVDAFHO-QMMMGPOBSA-N 0 3 254.290 -1.251 20 0 CAADHN O=C1[N-]C(=O)N2CCN(CC34CC(C3)C[NH2+]4)C[C@@H]12 ZINC000634992822 372933055 /nfs/dbraw/zinc/93/30/55/372933055.db2.gz BVLQNRCXQGQGGC-XEVUQIKYSA-N 0 3 250.302 -1.026 20 0 CAADHN CN(C)S(=O)(=O)N1CC(N[C@@H]2CCNC(=O)CC2)C1 ZINC000634988184 372933421 /nfs/dbraw/zinc/93/34/21/372933421.db2.gz PAZCNGXIRHWGEG-VIFPVBQESA-N 0 3 290.389 -1.265 20 0 CAADHN COCCN(C)CCNC(=O)NC(C)(CO)CO ZINC000565062684 372937450 /nfs/dbraw/zinc/93/74/50/372937450.db2.gz LWIYBDVPBPZWEB-UHFFFAOYSA-N 0 3 263.338 -1.393 20 0 CAADHN CNCC(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000572600870 372940265 /nfs/dbraw/zinc/94/02/65/372940265.db2.gz QMVLJQARQCDCSG-LLVKDONJSA-N 0 3 268.361 -1.124 20 0 CAADHN CC(=O)NCCN(C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000566738186 372940982 /nfs/dbraw/zinc/94/09/82/372940982.db2.gz SBNCLPAHKFBWCB-NWDGAFQWSA-N 0 3 296.371 -1.257 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(C)S(C)(=O)=O ZINC000408440377 372941312 /nfs/dbraw/zinc/94/13/12/372941312.db2.gz BERWKXJADXWRDW-YIZRAAEISA-N 0 3 293.341 -1.056 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CN1CSCC1=O ZINC000228750826 372946214 /nfs/dbraw/zinc/94/62/14/372946214.db2.gz YWMHYPBJQVCHID-NSHDSACASA-N 0 3 275.374 -1.052 20 0 CAADHN CCN(CC)CC(=O)N1CCN(C(=O)C(N)=O)CC1 ZINC000635499171 372947638 /nfs/dbraw/zinc/94/76/38/372947638.db2.gz UGLHCCBFCKKCEJ-UHFFFAOYSA-N 0 3 270.333 -1.516 20 0 CAADHN COCCN(C)CCNC(=O)NCCS(N)(=O)=O ZINC000588970692 372959182 /nfs/dbraw/zinc/95/91/82/372959182.db2.gz JRKJQQMTXTXYLC-UHFFFAOYSA-N 0 3 282.366 -1.848 20 0 CAADHN CN1CCC[C@H](N2CCN(C(=O)C(N)=O)CC2)C1 ZINC000635571862 372960355 /nfs/dbraw/zinc/96/03/55/372960355.db2.gz YYNVGWFAOQUBLL-JTQLQIEISA-N 0 3 254.334 -1.290 20 0 CAADHN COCCN1CCC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000601005446 372966571 /nfs/dbraw/zinc/96/65/71/372966571.db2.gz PTQDDHFSMJJCNI-SNVBAGLBSA-N 0 3 298.343 -1.235 20 0 CAADHN O=C([C@@H]1CN2CCC[C@@H]2CO1)N1C[C@@H](O)C[C@H]1CO ZINC000635743734 372968918 /nfs/dbraw/zinc/96/89/18/372968918.db2.gz PXFPXAUTYZYALA-RHYQMDGZSA-N 0 3 270.329 -1.196 20 0 CAADHN COCCOCCN(C)CCC(=O)N[C@H]1CNC(=O)C1 ZINC000635774251 372969477 /nfs/dbraw/zinc/96/94/77/372969477.db2.gz BPAJMNRCBCYZQM-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@H]1CN(C)C[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)O1 ZINC000635947897 372976506 /nfs/dbraw/zinc/97/65/06/372976506.db2.gz DSEAGJIYZPCXIA-BJDJZHNGSA-N 0 3 271.361 -1.161 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cc(=O)n(C)cn1 ZINC000635929172 372977247 /nfs/dbraw/zinc/97/72/47/372977247.db2.gz RNXDTXBIAASZLG-MRVPVSSYSA-N 0 3 254.290 -1.567 20 0 CAADHN COCCOCCN(C)CCC(=O)N1CC(O)(CO)C1 ZINC000635992027 372980252 /nfs/dbraw/zinc/98/02/52/372980252.db2.gz RATHBGPJBVBEBH-UHFFFAOYSA-N 0 3 290.360 -1.463 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000635964188 372980589 /nfs/dbraw/zinc/98/05/89/372980589.db2.gz RPIBPXLNDAWLDS-GARJFASQSA-N 0 3 285.344 -1.192 20 0 CAADHN COCCN1CCC(NC(=O)Cn2cnnn2)CC1 ZINC000141483770 372954483 /nfs/dbraw/zinc/95/44/83/372954483.db2.gz ZACUVXQRIPTMPR-UHFFFAOYSA-N 0 3 268.321 -1.100 20 0 CAADHN O=C(Cn1cnnn1)N[C@H]1CCCN(CCCO)C1 ZINC000622631677 372954502 /nfs/dbraw/zinc/95/45/02/372954502.db2.gz SLMGEMJJFOAYCM-JTQLQIEISA-N 0 3 268.321 -1.364 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H]1CCCCN1CCO ZINC000622631503 372954585 /nfs/dbraw/zinc/95/45/85/372954585.db2.gz PHSGHFJCVNETJD-JTQLQIEISA-N 0 3 272.349 -1.122 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000622631255 372954797 /nfs/dbraw/zinc/95/47/97/372954797.db2.gz JSNGCLWSYZNJFS-SNVBAGLBSA-N 0 3 272.349 -1.122 20 0 CAADHN CC(C)[C@@H](N)C(=O)NCC(=O)N[C@@H](C(N)=O)C(C)C ZINC000223671890 372957087 /nfs/dbraw/zinc/95/70/87/372957087.db2.gz BBSVQVZMJIIZFR-NXEZZACHSA-N 0 3 272.349 -1.288 20 0 CAADHN CO[C@@H](CN)C(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000643981252 372992527 /nfs/dbraw/zinc/99/25/27/372992527.db2.gz WYZXGJHEOIUNLV-QMMMGPOBSA-N 0 3 281.378 -1.206 20 0 CAADHN O=C(CNC(=O)[C@H]1CCCCN1)N1CCNCC1 ZINC000572643020 372992983 /nfs/dbraw/zinc/99/29/83/372992983.db2.gz GMMPGAQICCJNIB-SNVBAGLBSA-N 0 3 254.334 -1.324 20 0 CAADHN COCCN1C[C@H](C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000570322031 372993357 /nfs/dbraw/zinc/99/33/57/372993357.db2.gz OZCVBFKTOTWBFC-MNOVXSKESA-N 0 3 285.344 -1.414 20 0 CAADHN COCCN1C[C@@H](C(=O)NC[C@H]2CNCCO2)CC1=O ZINC000570322033 372993406 /nfs/dbraw/zinc/99/34/06/372993406.db2.gz OZCVBFKTOTWBFC-WDEREUQCSA-N 0 3 285.344 -1.414 20 0 CAADHN CC1(C)CN[C@H]1C(=O)NCCN1C(=O)CNC1=O ZINC000643984135 372994809 /nfs/dbraw/zinc/99/48/09/372994809.db2.gz XYMZJFKQWYJWGJ-QMMMGPOBSA-N 0 3 254.290 -1.348 20 0 CAADHN CC[C@@H](CNS(C)(=O)=O)NCCC(=O)NC(N)=O ZINC000570445034 372995109 /nfs/dbraw/zinc/99/51/09/372995109.db2.gz UMJRIXGBZVYSPD-ZETCQYMHSA-N 0 3 280.350 -1.511 20 0 CAADHN O=C(N[C@H]1CCNC1=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000636170577 372995151 /nfs/dbraw/zinc/99/51/51/372995151.db2.gz RACGGGLSXWYGIN-LPEHRKFASA-N 0 3 253.302 -1.146 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)NCC(=O)N1CCOCC1 ZINC000570448430 372995593 /nfs/dbraw/zinc/99/55/93/372995593.db2.gz ATIRGNTURICVOP-NSHDSACASA-N 0 3 285.344 -1.270 20 0 CAADHN O=C(N[C@H]1CCNC1=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000636170580 372996155 /nfs/dbraw/zinc/99/61/55/372996155.db2.gz RACGGGLSXWYGIN-UTLUCORTSA-N 0 3 253.302 -1.146 20 0 CAADHN O=C(NC[C@]1(O)CN2CCC1CC2)C1(CO)COC1 ZINC000570408425 372996172 /nfs/dbraw/zinc/99/61/72/372996172.db2.gz BKIULVKODYWCTR-ZDUSSCGKSA-N 0 3 270.329 -1.432 20 0 CAADHN CC(C)(CNC(=O)CCOC1CNC1)NS(C)(=O)=O ZINC000644051971 372997780 /nfs/dbraw/zinc/99/77/80/372997780.db2.gz XVTRYXYMWXLDHO-UHFFFAOYSA-N 0 3 293.389 -1.191 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CCC(=O)N3CCNCC3)CCN2C1=O ZINC000570643894 372999586 /nfs/dbraw/zinc/99/95/86/372999586.db2.gz BUSRCIAJDAQCSW-VXGBXAGGSA-N 0 3 295.387 -1.948 20 0 CAADHN COCCOCCN(C)CCC(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000636251613 372999919 /nfs/dbraw/zinc/99/99/19/372999919.db2.gz KIWYZSBLVXGAAV-RYUDHWBXSA-N 0 3 290.360 -1.465 20 0 CAADHN CC(=O)[C@H](NC(=O)CN(CCN)CCO)C(C)C ZINC000570803585 373001153 /nfs/dbraw/zinc/00/11/53/373001153.db2.gz ZVTHEMLCXWURQL-GFCCVEGCSA-N 0 3 259.350 -1.031 20 0 CAADHN CN(CC(=O)N1CCN(C)CC1)C(=O)Cc1ncn[nH]1 ZINC000636315115 373001350 /nfs/dbraw/zinc/00/13/50/373001350.db2.gz ALMITEAYYPFBOS-UHFFFAOYSA-N 0 3 280.332 -1.420 20 0 CAADHN C[C@@H]1CN(CCNC(=O)COC2CNC2)CCO1 ZINC000570804502 373001744 /nfs/dbraw/zinc/00/17/44/373001744.db2.gz XKYNSZZXHVHRLM-SNVBAGLBSA-N 0 3 257.334 -1.188 20 0 CAADHN CCCNS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000570740039 373001845 /nfs/dbraw/zinc/00/18/45/373001845.db2.gz HPAPWGCHJZTFFG-IUCAKERBSA-N 0 3 276.362 -1.525 20 0 CAADHN COCCOCCN(C)CCC(=O)N[C@@H]1COC[C@@H]1O ZINC000636302226 373002761 /nfs/dbraw/zinc/00/27/61/373002761.db2.gz FXRIUVOLZHJSAN-NEPJUHHUSA-N 0 3 290.360 -1.153 20 0 CAADHN C[C@H](NC(=O)[C@H]1COCCN1C)C(=O)NCCN(C)C ZINC000570824843 373002799 /nfs/dbraw/zinc/00/27/99/373002799.db2.gz VUKHVYXEEXCKRK-WDEREUQCSA-N 0 3 286.376 -1.501 20 0 CAADHN CCN1CCN(C(=O)C(=O)NC2CNC2)CC1=O ZINC000570912882 373004844 /nfs/dbraw/zinc/00/48/44/373004844.db2.gz MKCQAZLYAUJHLQ-UHFFFAOYSA-N 0 3 254.290 -2.235 20 0 CAADHN CNC(=O)CCN(C)C[C@@H](O)CN1CCOCC1 ZINC000170820718 373008301 /nfs/dbraw/zinc/00/83/01/373008301.db2.gz QKRSHERRLMSLES-LLVKDONJSA-N 0 3 259.350 -1.253 20 0 CAADHN CNC(=O)CCN(C)C[C@H](O)CN1CCOCC1 ZINC000170820716 373008414 /nfs/dbraw/zinc/00/84/14/373008414.db2.gz QKRSHERRLMSLES-NSHDSACASA-N 0 3 259.350 -1.253 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C[C@H](C)O1 ZINC000580708896 373009781 /nfs/dbraw/zinc/00/97/81/373009781.db2.gz NZEFLJNQOSGVIU-GRYCIOLGSA-N 0 3 298.387 -1.277 20 0 CAADHN CCS(=O)(=O)NCCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000580095891 373010111 /nfs/dbraw/zinc/01/01/11/373010111.db2.gz KPZSRNVKSBHYGL-NXEZZACHSA-N 0 3 290.389 -1.831 20 0 CAADHN CCCC(=O)NCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569868531 372986508 /nfs/dbraw/zinc/98/65/08/372986508.db2.gz UXZFVMPKQGQZJE-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(C)[C@H]1CN(CCC(=O)N2CCOCC2)C[C@@H]1O ZINC000569985371 372987204 /nfs/dbraw/zinc/98/72/04/372987204.db2.gz LABKICABGLNPLZ-RYUDHWBXSA-N 0 3 271.361 -1.158 20 0 CAADHN Nc1nc(N)nc(N2CCO[C@@H](C(=O)C3CC3)C2)n1 ZINC000624110215 372987394 /nfs/dbraw/zinc/98/73/94/372987394.db2.gz SDYUVPIPPPIJBI-SSDOTTSWSA-N 0 3 264.289 -1.119 20 0 CAADHN Nc1nc(N)nc(N2CCO[C@H](C(=O)C3CC3)C2)n1 ZINC000624110216 372987622 /nfs/dbraw/zinc/98/76/22/372987622.db2.gz SDYUVPIPPPIJBI-ZETCQYMHSA-N 0 3 264.289 -1.119 20 0 CAADHN CC(C)CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000570058507 372988010 /nfs/dbraw/zinc/98/80/10/372988010.db2.gz WVZOPWHVWXAUGA-GHMZBOCLSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)CCNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000570058509 372988918 /nfs/dbraw/zinc/98/89/18/372988918.db2.gz WVZOPWHVWXAUGA-QWRGUYRKSA-N 0 3 296.371 -1.081 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCN(C)CC[C@H]1C ZINC000580088673 373010923 /nfs/dbraw/zinc/01/09/23/373010923.db2.gz BAKQPZWEAODXAK-SECBINFHSA-N 0 3 278.378 -1.407 20 0 CAADHN COCCN1CCN(C(=O)[C@H](CN)OC)CC1=O ZINC000570273723 372989937 /nfs/dbraw/zinc/98/99/37/372989937.db2.gz MQKVBJIGVOFLMT-VIFPVBQESA-N 0 3 259.306 -1.723 20 0 CAADHN COC(=O)CC[C@H](N)C(=O)N1CCOC[C@@H]1C(=O)OC ZINC000570214513 372990637 /nfs/dbraw/zinc/99/06/37/372990637.db2.gz RTDPPHGHIIWRJP-DTWKUNHWSA-N 0 3 288.300 -1.333 20 0 CAADHN CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1CCN(CC)C1 ZINC000617923682 372991543 /nfs/dbraw/zinc/99/15/43/372991543.db2.gz HQNAZTWMTUNNGO-SNVBAGLBSA-N 0 3 292.405 -1.017 20 0 CAADHN COCCNCC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000580323430 373024895 /nfs/dbraw/zinc/02/48/95/373024895.db2.gz YGTGYLLCSVAJJQ-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CN1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000563057407 373032565 /nfs/dbraw/zinc/03/25/65/373032565.db2.gz XIKPWZUXDFTKBT-MRVPVSSYSA-N 0 3 282.266 -1.234 20 0 CAADHN COC(=O)[C@@H](O)CNS(=O)(=O)CCCN1CCCC1 ZINC000601382005 373035570 /nfs/dbraw/zinc/03/55/70/373035570.db2.gz LHBHEVUOYATOBI-JTQLQIEISA-N 0 3 294.373 -1.074 20 0 CAADHN COC(=O)[C@@H](O)CNS(=O)(=O)CCCN(C)C ZINC000601381511 373035948 /nfs/dbraw/zinc/03/59/48/373035948.db2.gz AEKQORKORSUZHP-QMMMGPOBSA-N 0 3 268.335 -1.609 20 0 CAADHN CN(CCC(=O)N1CCNCC1)[C@H]1CCS(=O)(=O)C1 ZINC000019685421 373036979 /nfs/dbraw/zinc/03/69/79/373036979.db2.gz JLDPHRJJNICFQM-NSHDSACASA-N 0 3 289.401 -1.073 20 0 CAADHN O=C(NC[C@H](O)[C@H]1CCOC1)[C@H]1CN2CCN1CCC2 ZINC000536541927 373013382 /nfs/dbraw/zinc/01/33/82/373013382.db2.gz MXRIUKFJGZGLAG-XQQFMLRXSA-N 0 3 283.372 -1.110 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)[C@H]1CCNC1=O ZINC000580211907 373015185 /nfs/dbraw/zinc/01/51/85/373015185.db2.gz OVTCMDYACSNREI-MNOVXSKESA-N 0 3 259.350 -1.254 20 0 CAADHN COC(=O)CNC(=O)CN1CC[C@H]2CN(C)C[C@H]21 ZINC000590012302 373018950 /nfs/dbraw/zinc/01/89/50/373018950.db2.gz QJTZBANIADSJLB-VHSXEESVSA-N 0 3 255.318 -1.089 20 0 CAADHN COC(=O)CNC(=O)CN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000590012303 373019149 /nfs/dbraw/zinc/01/91/49/373019149.db2.gz QJTZBANIADSJLB-ZJUUUORDSA-N 0 3 255.318 -1.089 20 0 CAADHN C[C@H]1CN(c2nc(N)nc(N)n2)CCN1CCO ZINC000624123940 373020192 /nfs/dbraw/zinc/02/01/92/373020192.db2.gz UCWBFUZLTWVHRW-ZETCQYMHSA-N 0 3 253.310 -1.800 20 0 CAADHN O=C(CCN1CC[C@H](CO)[C@H](O)C1)N1CCOCC1 ZINC000580273193 373021262 /nfs/dbraw/zinc/02/12/62/373021262.db2.gz CSQHPVSGIVFSPD-VXGBXAGGSA-N 0 3 272.345 -1.090 20 0 CAADHN CCOC(=O)C[C@H](CO)NC(=O)C(C)S(C)(=O)=O ZINC000590381411 373024294 /nfs/dbraw/zinc/02/42/94/373024294.db2.gz BHAGWRHKOSEUPN-HTQZYQBOSA-N 0 3 281.330 -1.150 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCNC2=O)CC1=O ZINC000616964502 373050265 /nfs/dbraw/zinc/05/02/65/373050265.db2.gz KLYPCSCXYQVXHD-UWVGGRQHSA-N 0 3 282.344 -1.599 20 0 CAADHN CCOC(=O)CNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000197137845 373053002 /nfs/dbraw/zinc/05/30/02/373053002.db2.gz JBZJRFDSSRFATF-SNVBAGLBSA-N 0 3 259.306 -1.235 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCCN(C)C ZINC000590817604 373053096 /nfs/dbraw/zinc/05/30/96/373053096.db2.gz KVWUJCVFBZZKKI-LLVKDONJSA-N 0 3 284.360 -1.209 20 0 CAADHN CSCCCNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000591373144 373055120 /nfs/dbraw/zinc/05/51/20/373055120.db2.gz XGUMVTOQMSOIFL-SNVBAGLBSA-N 0 3 288.417 -1.043 20 0 CAADHN COCCN(CCN(C)C)C(=O)CCNS(C)(=O)=O ZINC000591301447 373055471 /nfs/dbraw/zinc/05/54/71/373055471.db2.gz LVLDWJQAPAPVKC-UHFFFAOYSA-N 0 3 295.405 -1.038 20 0 CAADHN C[C@@H](NCCC(=O)NC(N)=O)[C@@H]1CN(C)CCO1 ZINC000591756546 373059707 /nfs/dbraw/zinc/05/97/07/373059707.db2.gz DFIPEDGEPCSPGD-BDAKNGLRSA-N 0 3 258.322 -1.120 20 0 CAADHN C[C@@H](NCCC(=O)NC(N)=O)[C@H]1CN(C)CCO1 ZINC000591756549 373059808 /nfs/dbraw/zinc/05/98/08/373059808.db2.gz DFIPEDGEPCSPGD-RKDXNWHRSA-N 0 3 258.322 -1.120 20 0 CAADHN C[C@H](NCCC(=O)NC(N)=O)[C@H]1CN(C)CCO1 ZINC000591756547 373060236 /nfs/dbraw/zinc/06/02/36/373060236.db2.gz DFIPEDGEPCSPGD-DTWKUNHWSA-N 0 3 258.322 -1.120 20 0 CAADHN COC(=O)[C@H]1C[C@@H](O)CN(CCC(=O)NC(N)=O)C1 ZINC000592205395 373066304 /nfs/dbraw/zinc/06/63/04/373066304.db2.gz WNEMGVUGIMGBDA-JGVFFNPUSA-N 0 3 273.289 -1.573 20 0 CAADHN COC(=O)[C@H]1C[C@H](O)CN(CCCC(=O)NC(N)=O)C1 ZINC000592198645 373066448 /nfs/dbraw/zinc/06/64/48/373066448.db2.gz HUZFOVKQLQKZHR-IUCAKERBSA-N 0 3 287.316 -1.183 20 0 CAADHN CNC(=O)NC(=O)CCN1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592199314 373066474 /nfs/dbraw/zinc/06/64/74/373066474.db2.gz TVEPWITYHBRNKS-IUCAKERBSA-N 0 3 287.316 -1.312 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CCNC(=O)CC2)CC1=O ZINC000364337999 373040325 /nfs/dbraw/zinc/04/03/25/373040325.db2.gz JIBQQAJUMFPHTA-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN CCN1C(=O)[C@H]2CN(c3nc(N)nc(N)n3)CCN2C1=O ZINC000624025346 373041198 /nfs/dbraw/zinc/04/11/98/373041198.db2.gz XTUODMJRPVJCRJ-ZCFIWIBFSA-N 0 3 292.303 -1.831 20 0 CAADHN COC(=O)C[C@@H](O)CNS(=O)(=O)CCCN(C)C ZINC000601474486 373043195 /nfs/dbraw/zinc/04/31/95/373043195.db2.gz RAXYHAAQSXJPPC-SECBINFHSA-N 0 3 282.362 -1.219 20 0 CAADHN CCN1CCN(CC(=O)N[C@H]2CCCN(C)C2)C(=O)C1=O ZINC000618424956 373044803 /nfs/dbraw/zinc/04/48/03/373044803.db2.gz UMXXRHRKIXBASQ-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN COC[C@H](NC(=O)COC1(C)CNC1)C(=O)OC ZINC000592562948 373073994 /nfs/dbraw/zinc/07/39/94/373073994.db2.gz LXGMBLXFCNDZKN-QMMMGPOBSA-N 0 3 260.290 -1.331 20 0 CAADHN COC(=O)[C@H]1CNCCCN1Cc1nnnn1C ZINC000592489456 373074014 /nfs/dbraw/zinc/07/40/14/373074014.db2.gz SQNGPISZEQMGGZ-MRVPVSSYSA-N 0 3 254.294 -1.453 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1CC(=O)N1CCOCC1 ZINC000592491285 373074415 /nfs/dbraw/zinc/07/44/15/373074415.db2.gz JFVLQEPASXSXRY-NSHDSACASA-N 0 3 285.344 -1.318 20 0 CAADHN COC(=O)[C@H]1CNCCCN1CC(=O)NC(N)=O ZINC000592489385 373074609 /nfs/dbraw/zinc/07/46/09/373074609.db2.gz RZRLSOXIGNQGRY-SSDOTTSWSA-N 0 3 258.278 -1.982 20 0 CAADHN COC(=O)[C@H]1CNCCCN1CCN1C(=O)CCC1=O ZINC000592489793 373074623 /nfs/dbraw/zinc/07/46/23/373074623.db2.gz WCFNTKOJPKNAMB-SNVBAGLBSA-N 0 3 283.328 -1.028 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)[C@H]1CNCCO1 ZINC000592547655 373074644 /nfs/dbraw/zinc/07/46/44/373074644.db2.gz IZXZTSHOFCESLA-NXEZZACHSA-N 0 3 271.317 -1.662 20 0 CAADHN COCCNCC(=O)N1CCCNC[C@H]1C(=O)OC ZINC000592547683 373074832 /nfs/dbraw/zinc/07/48/32/373074832.db2.gz JRQWKTFCGSZFIM-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN COC(=O)[C@@H]1OCC[C@@H]1NCCN1C(=O)CN(C)C1=O ZINC000595660056 373116403 /nfs/dbraw/zinc/11/64/03/373116403.db2.gz RHCBBIAATWUDDN-WCBMZHEXSA-N 0 3 285.300 -1.200 20 0 CAADHN COC(=O)[C@@]1(NC(=O)COC2(C)CNC2)CCOC1 ZINC000592542639 373075163 /nfs/dbraw/zinc/07/51/63/373075163.db2.gz XZPZWWTWYHUFPM-GFCCVEGCSA-N 0 3 272.301 -1.187 20 0 CAADHN COC(=O)[C@H]1CNCCCN1CC(=O)NC(=O)NC1CC1 ZINC000592492769 373075270 /nfs/dbraw/zinc/07/52/70/373075270.db2.gz ULNOEKDVWHZJOR-SNVBAGLBSA-N 0 3 298.343 -1.189 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1CC(=O)N1CCNC(=O)C1 ZINC000592493161 373075348 /nfs/dbraw/zinc/07/53/48/373075348.db2.gz XDYMQTRVTGYJAP-JTQLQIEISA-N 0 3 298.343 -2.218 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)C(C)S(C)(=O)=O ZINC000592556008 373076460 /nfs/dbraw/zinc/07/64/60/373076460.db2.gz ZGJGNTKJZGYYEW-BDAKNGLRSA-N 0 3 292.357 -1.217 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)CCOC1CNC1 ZINC000592554522 373076652 /nfs/dbraw/zinc/07/66/52/373076652.db2.gz NPLOXKMEECHZMJ-NSHDSACASA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)C(C)S(C)(=O)=O ZINC000592556010 373076722 /nfs/dbraw/zinc/07/67/22/373076722.db2.gz ZGJGNTKJZGYYEW-DTWKUNHWSA-N 0 3 292.357 -1.217 20 0 CAADHN COC(=O)c1cn(CC(=O)NC[C@@H]2C[C@H](F)CN2)nn1 ZINC000592554135 373076831 /nfs/dbraw/zinc/07/68/31/373076831.db2.gz DQZFQMRFEREGGB-YUMQZZPRSA-N 0 3 285.279 -1.119 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)C[C@@H]1COCCN1 ZINC000592550621 373077385 /nfs/dbraw/zinc/07/73/85/373077385.db2.gz ALEMADDEWRBHKI-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)C[C@@H]1CNCCO1 ZINC000592548394 373077753 /nfs/dbraw/zinc/07/77/53/373077753.db2.gz OQQLNYYVRRXJCF-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@](C)(CO)NC[C@H](O)CN(C)C1CC1 ZINC000595531446 373116568 /nfs/dbraw/zinc/11/65/68/373116568.db2.gz GKOBRYLRUDJWHT-JQWIXIFHSA-N 0 3 260.334 -1.045 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000592907646 373082888 /nfs/dbraw/zinc/08/28/88/373082888.db2.gz GEASKTQZJJHIIT-IWSPIJDZSA-N 0 3 293.341 -1.198 20 0 CAADHN COC(=O)C[C@H](N)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000592960186 373084340 /nfs/dbraw/zinc/08/43/40/373084340.db2.gz ZPSJODLGYAWTIB-QJPTWQEYSA-N 0 3 299.371 -1.066 20 0 CAADHN C[C@@H](C(=O)NC(N)=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000593049516 373086085 /nfs/dbraw/zinc/08/60/85/373086085.db2.gz AQKNCLIOKDINNX-VIFPVBQESA-N 0 3 285.348 -1.724 20 0 CAADHN CNC(=O)NC(=O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000593051438 373086129 /nfs/dbraw/zinc/08/61/29/373086129.db2.gz NGCCGOMTWWICTK-UHFFFAOYSA-N 0 3 285.348 -1.852 20 0 CAADHN CNC(=O)NC(=O)CCN1C[C@H](O)C[C@@H]1COC ZINC000593066730 373086603 /nfs/dbraw/zinc/08/66/03/373086603.db2.gz QTHRLRRGJQBAHX-RKDXNWHRSA-N 0 3 259.306 -1.086 20 0 CAADHN CN(C)CCN1CCN(CCCC(=O)NC(N)=O)CC1=O ZINC000593052619 373086650 /nfs/dbraw/zinc/08/66/50/373086650.db2.gz RLPHTXDRJABLDH-UHFFFAOYSA-N 0 3 299.375 -1.333 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000593052370 373088163 /nfs/dbraw/zinc/08/81/63/373088163.db2.gz QLMUIFRQGLGYQS-ZDUSSCGKSA-N 0 3 287.360 -1.384 20 0 CAADHN COCCNCC(=O)N1CCO[C@@H](C(=O)OC)C1 ZINC000593913056 373096021 /nfs/dbraw/zinc/09/60/21/373096021.db2.gz WJVSMOLSOPIKLC-SECBINFHSA-N 0 3 260.290 -1.377 20 0 CAADHN COC(=O)Cc1n[n-]c(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000593903662 373096743 /nfs/dbraw/zinc/09/67/43/373096743.db2.gz JEWZAHKRWOCEMV-MADCSZMMSA-N 0 3 295.299 -1.305 20 0 CAADHN COC(=O)Cc1nnc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)[n-]1 ZINC000593903662 373096756 /nfs/dbraw/zinc/09/67/56/373096756.db2.gz JEWZAHKRWOCEMV-MADCSZMMSA-N 0 3 295.299 -1.305 20 0 CAADHN COC(=O)Cc1nc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)n[n-]1 ZINC000593903662 373096765 /nfs/dbraw/zinc/09/67/65/373096765.db2.gz JEWZAHKRWOCEMV-MADCSZMMSA-N 0 3 295.299 -1.305 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000593913091 373096931 /nfs/dbraw/zinc/09/69/31/373096931.db2.gz XBPJULVVDHKBRE-SECBINFHSA-N 0 3 272.301 -1.235 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000594025591 373098849 /nfs/dbraw/zinc/09/88/49/373098849.db2.gz LRHTXTONEHCIPR-OUAUKWLOSA-N 0 3 284.360 -1.029 20 0 CAADHN COC(=O)[C@@](C)(CO)NC[C@H](O)CN(C)C1CC1 ZINC000595531445 373117649 /nfs/dbraw/zinc/11/76/49/373117649.db2.gz GKOBRYLRUDJWHT-CMPLNLGQSA-N 0 3 260.334 -1.045 20 0 CAADHN COC(=O)COCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000594421109 373101856 /nfs/dbraw/zinc/10/18/56/373101856.db2.gz NGPRBAYCVLFFHI-IUCAKERBSA-N 0 3 260.290 -1.691 20 0 CAADHN Cc1nc(N(C)C)nc(N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000594701875 373102073 /nfs/dbraw/zinc/10/20/73/373102073.db2.gz PLZXHNKTHJWFBA-ZJUUUORDSA-N 0 3 291.359 -1.006 20 0 CAADHN Cc1nc(N(C)C)nc(N2CCN3C(=O)[C@H](N)C[C@H]3C2)n1 ZINC000594701873 373102494 /nfs/dbraw/zinc/10/24/94/373102494.db2.gz PLZXHNKTHJWFBA-VHSXEESVSA-N 0 3 291.359 -1.006 20 0 CAADHN N[C@H]1C[C@@H]2CN(c3cncc(OCCO)n3)CCN2C1=O ZINC000594702024 373102994 /nfs/dbraw/zinc/10/29/94/373102994.db2.gz SPGMWFXXOWTVKZ-ZJUUUORDSA-N 0 3 293.327 -1.404 20 0 CAADHN CCN(C)S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875303 373104481 /nfs/dbraw/zinc/10/44/81/373104481.db2.gz LVZRQGGOSVRARA-IUCAKERBSA-N 0 3 276.362 -1.573 20 0 CAADHN CN(C1CC1)S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875514 373104694 /nfs/dbraw/zinc/10/46/94/373104694.db2.gz MCVWCFHOHVDRFR-UWVGGRQHSA-N 0 3 288.373 -1.431 20 0 CAADHN COC[C@H](CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1)OC ZINC000594876228 373104879 /nfs/dbraw/zinc/10/48/79/373104879.db2.gz KKADFZBEAAYVQU-VWYCJHECSA-N 0 3 257.334 -1.108 20 0 CAADHN COCCCNC(=O)[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594875731 373105002 /nfs/dbraw/zinc/10/50/02/373105002.db2.gz WIKCVDBAUBETKL-SRVKXCTJSA-N 0 3 298.387 -1.229 20 0 CAADHN CNS(=O)(=O)CCCN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594875145 373105069 /nfs/dbraw/zinc/10/50/69/373105069.db2.gz XXZCBSMHCPHSCI-NXEZZACHSA-N 0 3 290.389 -1.831 20 0 CAADHN CCN1CC[C@H](N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1=O ZINC000594876399 373105504 /nfs/dbraw/zinc/10/55/04/373105504.db2.gz XMCPNHXVPVNKEW-MXWKQRLJSA-N 0 3 266.345 -1.149 20 0 CAADHN COC[C@H](CN1CCN2C(=O)[C@@H](N)C[C@H]2C1)OC ZINC000594876225 373105654 /nfs/dbraw/zinc/10/56/54/373105654.db2.gz KKADFZBEAAYVQU-DCAQKATOSA-N 0 3 257.334 -1.108 20 0 CAADHN COC[C@H](CN1CCN2C(=O)[C@H](N)C[C@@H]2C1)OC ZINC000594876227 373105747 /nfs/dbraw/zinc/10/57/47/373105747.db2.gz KKADFZBEAAYVQU-OUAUKWLOSA-N 0 3 257.334 -1.108 20 0 CAADHN C[C@@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)N(C)C ZINC000594880471 373106744 /nfs/dbraw/zinc/10/67/44/373106744.db2.gz NLZHTEKGVKEJOQ-AEJSXWLSSA-N 0 3 254.334 -1.293 20 0 CAADHN C[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)N(C)C ZINC000594880473 373107367 /nfs/dbraw/zinc/10/73/67/373107367.db2.gz NLZHTEKGVKEJOQ-IVZWLZJFSA-N 0 3 254.334 -1.293 20 0 CAADHN NCC(F)(F)CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594878982 373107428 /nfs/dbraw/zinc/10/74/28/373107428.db2.gz KRRUXOLTXJOBPL-SFYZADRCSA-N 0 3 276.287 -1.259 20 0 CAADHN CCN1CC[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000616307281 373107501 /nfs/dbraw/zinc/10/75/01/373107501.db2.gz KCHHDBUDLUVPQD-VIFPVBQESA-N 0 3 278.378 -1.407 20 0 CAADHN CC(C)OC[C@H](N)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594879769 373107910 /nfs/dbraw/zinc/10/79/10/373107910.db2.gz PILPFWQSQFLLQI-MXWKQRLJSA-N 0 3 284.360 -1.491 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CC(F)(F)CN3)CCN2C1=O ZINC000594881526 373108081 /nfs/dbraw/zinc/10/80/81/373108081.db2.gz ZFAXFBVKPPPYFT-YIZRAAEISA-N 0 3 288.298 -1.246 20 0 CAADHN CN(C)C(=O)N1CCN(C(=O)C(=O)NCCN)CC1 ZINC000401853673 373108923 /nfs/dbraw/zinc/10/89/23/373108923.db2.gz MWONTGROFPCACT-UHFFFAOYSA-N 0 3 271.321 -2.113 20 0 CAADHN CO[C@H](C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595270122 373109181 /nfs/dbraw/zinc/10/91/81/373109181.db2.gz GZDBSQMIXTUVIV-OPRDCNLKSA-N 0 3 270.333 -1.025 20 0 CAADHN CO[C@@H](C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595270121 373109407 /nfs/dbraw/zinc/10/94/07/373109407.db2.gz GZDBSQMIXTUVIV-LPEHRKFASA-N 0 3 270.333 -1.025 20 0 CAADHN N[C@@H]1C[C@H]2CN(CC(=O)NC3CC3)CCN2C1=O ZINC000594874170 373109548 /nfs/dbraw/zinc/10/95/48/373109548.db2.gz LPQNVJHPIXRKMG-VHSXEESVSA-N 0 3 252.318 -1.491 20 0 CAADHN CO[C@H](C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595270119 373109565 /nfs/dbraw/zinc/10/95/65/373109565.db2.gz GZDBSQMIXTUVIV-KXUCPTDWSA-N 0 3 270.333 -1.025 20 0 CAADHN NC(=O)[C@H]1C[C@@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595273119 373110332 /nfs/dbraw/zinc/11/03/32/373110332.db2.gz JGKGTJJOAIOVSZ-JXUBOQSCSA-N 0 3 295.343 -1.796 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594874585 373110375 /nfs/dbraw/zinc/11/03/75/373110375.db2.gz GDHCBPXDRVUWIP-CIUDSAMLSA-N 0 3 283.332 -1.926 20 0 CAADHN CNC(=O)NC(=O)CCN[C@@H]1CCO[C@@H]1C(=O)OC ZINC000595665610 373118408 /nfs/dbraw/zinc/11/84/08/373118408.db2.gz ZHQDAGGASAZILN-APPZFPTMSA-N 0 3 273.289 -1.248 20 0 CAADHN COCCN1CCC[C@@H](NC(=O)CNC(N)=O)C1 ZINC000592315060 373070138 /nfs/dbraw/zinc/07/01/38/373070138.db2.gz UUCFDUFJYKYCJI-SECBINFHSA-N 0 3 258.322 -1.118 20 0 CAADHN COC(=O)CC[C@H](N)C(=O)NCC(F)(F)CN ZINC000592326712 373070270 /nfs/dbraw/zinc/07/02/70/373070270.db2.gz VPRVVYAHLVQORK-LURJTMIESA-N 0 3 253.249 -1.023 20 0 CAADHN CCS(=O)(=O)NCCN1CCCNC[C@H]1C(=O)OC ZINC000592488184 373071800 /nfs/dbraw/zinc/07/18/00/373071800.db2.gz JGCJKCGQZMLRBD-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CCOCCNC(=O)CN1CCCNC[C@H]1C(=O)OC ZINC000592487991 373071811 /nfs/dbraw/zinc/07/18/11/373071811.db2.gz FXDHXYZRPBIVEN-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CCOC(=O)[C@@H](CO)NC[C@@H](O)CN(C)C1CC1 ZINC000592430524 373071885 /nfs/dbraw/zinc/07/18/85/373071885.db2.gz WGXDTKMMNKKUIQ-GHMZBOCLSA-N 0 3 260.334 -1.045 20 0 CAADHN COC(=O)[C@H]1CNCCCN1Cc1nnn(C)n1 ZINC000592488909 373072281 /nfs/dbraw/zinc/07/22/81/373072281.db2.gz NRKMIEPQAUKPSD-MRVPVSSYSA-N 0 3 254.294 -1.453 20 0 CAADHN CCNS(=O)(=O)N1CCCNC[C@H]1C(=O)OC ZINC000592389547 373072355 /nfs/dbraw/zinc/07/23/55/373072355.db2.gz XSSZJPXSDVWECR-QMMMGPOBSA-N 0 3 265.335 -1.322 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1Cc1nnn(C)n1 ZINC000592488910 373072416 /nfs/dbraw/zinc/07/24/16/373072416.db2.gz NRKMIEPQAUKPSD-QMMMGPOBSA-N 0 3 254.294 -1.453 20 0 CAADHN CCOC(=O)[C@H](CO)NC[C@H](O)CN(C)C1CC1 ZINC000592430526 373072537 /nfs/dbraw/zinc/07/25/37/373072537.db2.gz WGXDTKMMNKKUIQ-QWRGUYRKSA-N 0 3 260.334 -1.045 20 0 CAADHN CCOC(=O)[C@@H](CO)NC[C@H](O)CN(C)C1CC1 ZINC000592430527 373072633 /nfs/dbraw/zinc/07/26/33/373072633.db2.gz WGXDTKMMNKKUIQ-WDEREUQCSA-N 0 3 260.334 -1.045 20 0 CAADHN COC(=O)[C@@H](O)CNC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000592431529 373072913 /nfs/dbraw/zinc/07/29/13/373072913.db2.gz ZXXJHZPECQDEAB-BJDJZHNGSA-N 0 3 290.360 -1.420 20 0 CAADHN COC(=O)c1cnc(C(=O)N[C@@H](CO)CN(C)C)cn1 ZINC000597654532 373152107 /nfs/dbraw/zinc/15/21/07/373152107.db2.gz SUTGSKBRYPJMLC-MRVPVSSYSA-N 0 3 282.300 -1.085 20 0 CAADHN CCOC(=O)C[C@H](O)C(=O)N[C@@H](CO)CN(C)C ZINC000597652652 373152363 /nfs/dbraw/zinc/15/23/63/373152363.db2.gz DHOYKUPTNWELNG-BDAKNGLRSA-N 0 3 262.306 -1.661 20 0 CAADHN COC(=O)c1cn(CC(=O)N2CCN3CC[C@H]2C3)nn1 ZINC000597707464 373155097 /nfs/dbraw/zinc/15/50/97/373155097.db2.gz BRDKOZAVFRSKQY-VIFPVBQESA-N 0 3 279.300 -1.019 20 0 CAADHN CN[C@@H](C)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000054075723 373159660 /nfs/dbraw/zinc/15/96/60/373159660.db2.gz FZBUOPKLFMMLAR-ZETCQYMHSA-N 0 3 250.324 -2.058 20 0 CAADHN CC(C)(C)OC(=O)[C@@](C)(O)CNc1nc(N)nc(N)n1 ZINC000599070212 373165841 /nfs/dbraw/zinc/16/58/41/373165841.db2.gz XBPMVJXLILPBDC-NSHDSACASA-N 0 3 284.320 -1.377 20 0 CAADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)C3COC3)CCN2C1=O ZINC000599097308 373165898 /nfs/dbraw/zinc/16/58/98/373165898.db2.gz BESFIGYXSLQOKN-VXNVDRBHSA-N 0 3 275.330 -2.041 20 0 CAADHN CCOC(=O)C1(CNc2nc(N)nc(N)n2)CC1 ZINC000599068331 373166085 /nfs/dbraw/zinc/16/60/85/373166085.db2.gz NACSTRPEYUMZSD-UHFFFAOYSA-N 0 3 252.278 -1.126 20 0 CAADHN COC(=O)[C@H](O)C1CCN(c2nc(N)nc(N)n2)CC1 ZINC000599057519 373166293 /nfs/dbraw/zinc/16/62/93/373166293.db2.gz FYZSUZBTPFVEER-SSDOTTSWSA-N 0 3 282.304 -1.553 20 0 CAADHN COC(=O)CNC(=O)[C@@H]1CCCN1c1nc(N)nc(N)n1 ZINC000599093531 373166614 /nfs/dbraw/zinc/16/66/14/373166614.db2.gz WJYCFPXQBNDFHQ-LURJTMIESA-N 0 3 295.303 -2.045 20 0 CAADHN COC(=O)C[C@H]1COCCN1c1nc(N)nc(N)n1 ZINC000599084958 373166794 /nfs/dbraw/zinc/16/67/94/373166794.db2.gz GXHRHAMDZDVSII-LURJTMIESA-N 0 3 268.277 -1.535 20 0 CAADHN Cc1nnc2n1C[C@H](CNc1nc(N)nc(N)n1)CC2 ZINC000599037396 373166831 /nfs/dbraw/zinc/16/68/31/373166831.db2.gz ADYJJABPSAZSHP-ZETCQYMHSA-N 0 3 275.320 -1.307 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN(c2nc(N)nc(N)n2)C1 ZINC000599086636 373167306 /nfs/dbraw/zinc/16/73/06/373167306.db2.gz QWLXYHSLJKWKSR-SSDOTTSWSA-N 0 3 281.320 -1.762 20 0 CAADHN COC(=O)C[C@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC000599052896 373167429 /nfs/dbraw/zinc/16/74/29/373167429.db2.gz AHUADXOQBZMZMB-LURJTMIESA-N 0 3 268.277 -1.535 20 0 CAADHN CC(C)(C)OC(=O)[C@](C)(O)CNc1nc(N)nc(N)n1 ZINC000599070210 373167624 /nfs/dbraw/zinc/16/76/24/373167624.db2.gz XBPMVJXLILPBDC-LLVKDONJSA-N 0 3 284.320 -1.377 20 0 CAADHN CCOC(=O)C1(O)CCN(c2nc(N)nc(N)n2)CC1 ZINC000599045946 373167647 /nfs/dbraw/zinc/16/76/47/373167647.db2.gz FDUHWCXEHMFDLH-UHFFFAOYSA-N 0 3 282.304 -1.409 20 0 CAADHN CCOC(=O)COCCNc1nc(N)nc(N)n1 ZINC000599084260 373169681 /nfs/dbraw/zinc/16/96/81/373169681.db2.gz VOZOVOMXXXOEBH-UHFFFAOYSA-N 0 3 256.266 -1.890 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C[C@@H]1CNCCO1 ZINC000595893453 373120198 /nfs/dbraw/zinc/12/01/98/373120198.db2.gz RELBCWQGZYHFER-UWVGGRQHSA-N 0 3 271.317 -1.662 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C[C@H]1CNCCO1 ZINC000595893456 373120332 /nfs/dbraw/zinc/12/03/32/373120332.db2.gz RELBCWQGZYHFER-ZJUUUORDSA-N 0 3 271.317 -1.662 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H]1CCC2(CNC2)O1 ZINC000595893107 373120938 /nfs/dbraw/zinc/12/09/38/373120938.db2.gz PFGQZABDYLLOTL-WDEREUQCSA-N 0 3 297.355 -1.129 20 0 CAADHN CN(C)c1noc(CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)n1 ZINC000595903279 373121925 /nfs/dbraw/zinc/12/19/25/373121925.db2.gz RIVULXHBQJFJGN-BDAKNGLRSA-N 0 3 280.332 -1.121 20 0 CAADHN COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCNC(=O)C1 ZINC000595903028 373122905 /nfs/dbraw/zinc/12/29/05/373122905.db2.gz CNSRNHWMQKQSDU-ZJUUUORDSA-N 0 3 283.328 -1.124 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)CNC(C)C ZINC000595952225 373122943 /nfs/dbraw/zinc/12/29/43/373122943.db2.gz NRJZXAAUOFYWHD-UHFFFAOYSA-N 0 3 259.306 -1.139 20 0 CAADHN CCOC(=O)[C@@H](N)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000595951309 373122984 /nfs/dbraw/zinc/12/29/84/373122984.db2.gz PLDOBDZDXJGJMK-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)[C@@H](CC)NC ZINC000595951004 373123050 /nfs/dbraw/zinc/12/30/50/373123050.db2.gz IXKRSUIFBPGOSE-MRVPVSSYSA-N 0 3 259.306 -1.139 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000595951306 373123392 /nfs/dbraw/zinc/12/33/92/373123392.db2.gz PLDOBDZDXJGJMK-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CCOC(=O)c1cn(CCNc2nc(N)nc(N)n2)cn1 ZINC000599078865 373170133 /nfs/dbraw/zinc/17/01/33/373170133.db2.gz JNNODSALBDIYNS-UHFFFAOYSA-N 0 3 292.303 -1.396 20 0 CAADHN COC(=O)C1CCN(CCCNC(=O)C2(O)CNC2)CC1 ZINC000595956566 373124401 /nfs/dbraw/zinc/12/44/01/373124401.db2.gz RQTIAPVBCLGLNN-UHFFFAOYSA-N 0 3 299.371 -1.288 20 0 CAADHN CN1C[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)NC1=O ZINC000595969250 373126512 /nfs/dbraw/zinc/12/65/12/373126512.db2.gz CXUOCSRQYWVDLX-XHNCKOQMSA-N 0 3 281.316 -2.220 20 0 CAADHN COCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595989639 373129847 /nfs/dbraw/zinc/12/98/47/373129847.db2.gz SJVSDFXGMKKXKK-ZJUUUORDSA-N 0 3 298.343 -2.138 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)C(=O)N3CCOCC3)CCN2C1=O ZINC000595986633 373129911 /nfs/dbraw/zinc/12/99/11/373129911.db2.gz JEASOEITOLAZBT-NXEZZACHSA-N 0 3 296.327 -2.384 20 0 CAADHN COc1c(N)ncnc1N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000596013644 373129994 /nfs/dbraw/zinc/12/99/94/373129994.db2.gz ISPIRHRBCVRTGB-JGVFFNPUSA-N 0 3 278.316 -1.184 20 0 CAADHN CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595986681 373130024 /nfs/dbraw/zinc/13/00/24/373130024.db2.gz JNURRJYCGZUFPR-VHSXEESVSA-N 0 3 282.344 -1.375 20 0 CAADHN CCCN(C)C(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595986678 373130782 /nfs/dbraw/zinc/13/07/82/373130782.db2.gz JNURRJYCGZUFPR-NXEZZACHSA-N 0 3 282.344 -1.375 20 0 CAADHN COC(=O)COCC(=O)N1CCN(CCN(C)C)CC1 ZINC000596673726 373134414 /nfs/dbraw/zinc/13/44/14/373134414.db2.gz MOMFKFQBZOYGFP-UHFFFAOYSA-N 0 3 287.360 -1.118 20 0 CAADHN NC(=O)[C@H]1CC[C@@H](CNc2nc(N)nc(N)n2)O1 ZINC000624035883 373210410 /nfs/dbraw/zinc/21/04/10/373210410.db2.gz SNYFCSBAUICIMP-CRCLSJGQSA-N 0 3 253.266 -2.437 20 0 CAADHN COC(=O)c1ccn(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000603057603 373212003 /nfs/dbraw/zinc/21/20/03/373212003.db2.gz PQLYIHFNYDDQQG-QWRGUYRKSA-N 0 3 296.327 -1.197 20 0 CAADHN Cn1ccc(=O)n(CCCNC(=O)CNC2CC2)c1=O ZINC000563094467 373214127 /nfs/dbraw/zinc/21/41/27/373214127.db2.gz DLAHFJQWIQQGLJ-UHFFFAOYSA-N 0 3 280.328 -1.195 20 0 CAADHN CN1CCC[C@@H](NC(=O)NCCN2C(=O)CNC2=O)C1 ZINC000603593556 373214943 /nfs/dbraw/zinc/21/49/43/373214943.db2.gz MGBRQUWYLVEOHY-SECBINFHSA-N 0 3 283.332 -1.068 20 0 CAADHN CCNC(=O)N1CC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000624036928 373216772 /nfs/dbraw/zinc/21/67/72/373216772.db2.gz DVUNDQVMFMGSCF-LURJTMIESA-N 0 3 266.309 -1.666 20 0 CAADHN NS(=O)(=O)C[C@H]1CCCN1C(=O)COC1CNC1 ZINC000563094326 373216839 /nfs/dbraw/zinc/21/68/39/373216839.db2.gz DFOXBYZQVQFKKP-MRVPVSSYSA-N 0 3 277.346 -1.746 20 0 CAADHN CCNC(=O)N1CC[C@@H](Nc2nc(N)nc(N)n2)C1 ZINC000624036929 373217069 /nfs/dbraw/zinc/21/70/69/373217069.db2.gz DVUNDQVMFMGSCF-ZCFIWIBFSA-N 0 3 266.309 -1.666 20 0 CAADHN O=S(=O)(NC1CNC1)c1ccc(-n2cnnn2)cc1 ZINC000567850806 373218951 /nfs/dbraw/zinc/21/89/51/373218951.db2.gz HWAZTTYMAUACFD-UHFFFAOYSA-N 0 3 280.313 -1.088 20 0 CAADHN OC[C@@H](CN1CCCC1)NC[C@@H](O)CN1CCOCC1 ZINC000567873469 373220851 /nfs/dbraw/zinc/22/08/51/373220851.db2.gz WPVWRIHHKJZGAY-ZIAGYGMSSA-N 0 3 287.404 -1.274 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCC[C@@](O)(CO)C1 ZINC000313626155 373221425 /nfs/dbraw/zinc/22/14/25/373221425.db2.gz LGCHTGVUYFJZSP-OLZOCXBDSA-N 0 3 276.377 -1.255 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCC[C@@](O)(CO)C1 ZINC000313626161 373222373 /nfs/dbraw/zinc/22/23/73/373222373.db2.gz LGCHTGVUYFJZSP-STQMWFEESA-N 0 3 276.377 -1.255 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000563139700 373222698 /nfs/dbraw/zinc/22/26/98/373222698.db2.gz BRFRDQKMJJDXFO-NZEXEKPDSA-N 0 3 276.377 -1.212 20 0 CAADHN Cn1cnc(S(=O)(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000250618005 373173207 /nfs/dbraw/zinc/17/32/07/373173207.db2.gz IIEJQGYKWYUCMQ-SECBINFHSA-N 0 3 273.362 -1.317 20 0 CAADHN Cc1n[nH]cc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000250882249 373176968 /nfs/dbraw/zinc/17/69/68/373176968.db2.gz BJGUIWBZBRQISK-SECBINFHSA-N 0 3 273.362 -1.018 20 0 CAADHN C[C@H](C(=O)N1CCN(C)C[C@H]1CN)S(C)(=O)=O ZINC000252709174 373179694 /nfs/dbraw/zinc/17/96/94/373179694.db2.gz CFDSSNJOMDUHIX-RKDXNWHRSA-N 0 3 263.363 -1.479 20 0 CAADHN COC(=O)c1cnn(CC(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000599760708 373185610 /nfs/dbraw/zinc/18/56/10/373185610.db2.gz QYBNMMFTPPYAGL-CYBMUJFWSA-N 0 3 296.327 -1.148 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000567829759 373185622 /nfs/dbraw/zinc/18/56/22/373185622.db2.gz NADHFBWCWGIUPY-RKDXNWHRSA-N 0 3 278.378 -1.975 20 0 CAADHN NC(=O)[C@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000599933723 373186513 /nfs/dbraw/zinc/18/65/13/373186513.db2.gz JGKGTJJOAIOVSZ-KYXWUPHJSA-N 0 3 295.343 -1.796 20 0 CAADHN COCc1nc2n(n1)C[C@H](Nc1nc(N)nc(N)n1)CC2 ZINC000624032920 373190148 /nfs/dbraw/zinc/19/01/48/373190148.db2.gz JGCIXQRKLIZTFV-ZCFIWIBFSA-N 0 3 291.319 -1.717 20 0 CAADHN COC(=O)c1cc(C(=O)N[C@H](CO)CN(C)C)n(C)n1 ZINC000601588616 373190473 /nfs/dbraw/zinc/19/04/73/373190473.db2.gz OQIBMJWKIZWLKY-QMMMGPOBSA-N 0 3 284.316 -1.141 20 0 CAADHN COCCN(C)CCNC[C@H](O)CN1CCOCC1 ZINC000061378574 373192060 /nfs/dbraw/zinc/19/20/60/373192060.db2.gz SMTCXKWBIAGHCC-ZDUSSCGKSA-N 0 3 275.393 -1.153 20 0 CAADHN CN1CCC(N2CC[C@H](NS(N)(=O)=O)C2)CC1 ZINC000602283978 373196841 /nfs/dbraw/zinc/19/68/41/373196841.db2.gz ZUDMGRIVYQJHMP-VIFPVBQESA-N 0 3 262.379 -1.052 20 0 CAADHN COC(=O)c1cnn(CC(=O)N2CCN(C)C[C@H]2CN)c1 ZINC000602435733 373197971 /nfs/dbraw/zinc/19/79/71/373197971.db2.gz SYJFBNSZUVYIQK-LLVKDONJSA-N 0 3 295.343 -1.229 20 0 CAADHN COC[C@@](C)(CC(=O)OC)NC(=O)CN1CCNCC1 ZINC000602464700 373199247 /nfs/dbraw/zinc/19/92/47/373199247.db2.gz GNEUGUFWUTZUFW-CYBMUJFWSA-N 0 3 287.360 -1.024 20 0 CAADHN COC[C@@](C)(NC(=O)CN1CCNCC1)C(=O)OC ZINC000602463072 373199358 /nfs/dbraw/zinc/19/93/58/373199358.db2.gz UKULWBCNJXYVNB-GFCCVEGCSA-N 0 3 273.333 -1.414 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)CN2CCNCC2)C[C@H](C)O1 ZINC000602518784 373199779 /nfs/dbraw/zinc/19/97/79/373199779.db2.gz SCLDLDDCJFRJQL-QWRGUYRKSA-N 0 3 285.344 -1.320 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCNCC1 ZINC000602497473 373200202 /nfs/dbraw/zinc/20/02/02/373200202.db2.gz VEHFBSMAIHLTPJ-JTQLQIEISA-N 0 3 298.343 -2.218 20 0 CAADHN C[C@H](C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)N(C)C ZINC000602526014 373200350 /nfs/dbraw/zinc/20/03/50/373200350.db2.gz NLZHTEKGVKEJOQ-UTLUCORTSA-N 0 3 254.334 -1.293 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)[C@H]3C[C@@H](O)C3)CCN2C1=O ZINC000602521282 373200519 /nfs/dbraw/zinc/20/05/19/373200519.db2.gz ALLYHJGDKZVOKL-QEYWKRMJSA-N 0 3 253.302 -1.472 20 0 CAADHN COC(=O)[C@]1(NC(=O)CN2CCNCC2)CCOC1 ZINC000602464803 373200542 /nfs/dbraw/zinc/20/05/42/373200542.db2.gz GZSOUGIJNMZJNL-LBPRGKRZSA-N 0 3 271.317 -1.660 20 0 CAADHN C[C@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)N(C)C ZINC000602526010 373200684 /nfs/dbraw/zinc/20/06/84/373200684.db2.gz NLZHTEKGVKEJOQ-KXUCPTDWSA-N 0 3 254.334 -1.293 20 0 CAADHN CN1CC[C@](C)(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1=O ZINC000602523821 373200874 /nfs/dbraw/zinc/20/08/74/373200874.db2.gz IMRCMJUGWZVOGC-BFVZDQMLSA-N 0 3 294.355 -1.375 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)O1 ZINC000602524571 373200924 /nfs/dbraw/zinc/20/09/24/373200924.db2.gz LUQALKULZSKRNM-WRWGMCAJSA-N 0 3 296.371 -1.524 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)CN1CCNCC1 ZINC000602490607 373201181 /nfs/dbraw/zinc/20/11/81/373201181.db2.gz CYWJRBKXGCUVJZ-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)CN1CCNCC1 ZINC000602511116 373202320 /nfs/dbraw/zinc/20/23/20/373202320.db2.gz ILYOGCGKLBSNNP-JQWIXIFHSA-N 0 3 285.344 -1.584 20 0 CAADHN COC(=O)c1cnn(CC(=O)NC[C@H]2CNCCO2)c1 ZINC000602510394 373203256 /nfs/dbraw/zinc/20/32/56/373203256.db2.gz NCIKBEJZDBQOGP-SNVBAGLBSA-N 0 3 282.300 -1.226 20 0 CAADHN COC(=O)c1cnn(CC(=O)N2CCOC3(CNC3)C2)c1 ZINC000602530977 373204247 /nfs/dbraw/zinc/20/42/47/373204247.db2.gz VJESFJVAQJKLMK-UHFFFAOYSA-N 0 3 294.311 -1.130 20 0 CAADHN COC(=O)c1cnn(CC(=O)NC[C@@H]2CNCCO2)c1 ZINC000602510390 373204319 /nfs/dbraw/zinc/20/43/19/373204319.db2.gz NCIKBEJZDBQOGP-JTQLQIEISA-N 0 3 282.300 -1.226 20 0 CAADHN COC(=O)CNC(=O)CNC[C@@]1(OC)CCOC1 ZINC000602750105 373205262 /nfs/dbraw/zinc/20/52/62/373205262.db2.gz PTSBMYYYWYENPU-NSHDSACASA-N 0 3 260.290 -1.329 20 0 CAADHN COCCN1CC[C@@H](NCC(=O)NCC(=O)OC)C1 ZINC000602745906 373205915 /nfs/dbraw/zinc/20/59/15/373205915.db2.gz CCJLITNYXBZLFU-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN(CCCS(N)(=O)=O)C1 ZINC000602842494 373206137 /nfs/dbraw/zinc/20/61/37/373206137.db2.gz ZRXXPZBICOFOFN-SNVBAGLBSA-N 0 3 293.389 -1.298 20 0 CAADHN CCn1cc(C(=O)C(=O)NC2(CCO)CNC2)cn1 ZINC000623066889 373206315 /nfs/dbraw/zinc/20/63/15/373206315.db2.gz SFPFQXIOCXUYNR-UHFFFAOYSA-N 0 3 266.301 -1.074 20 0 CAADHN COCc1nc(C(=O)NC2(CCO)CNC2)no1 ZINC000623066372 373206623 /nfs/dbraw/zinc/20/66/23/373206623.db2.gz FOXUDCLCDQQPLF-UHFFFAOYSA-N 0 3 256.262 -1.330 20 0 CAADHN COC(=O)CNC(=O)CN[C@@H]1CCC(=O)NC1(C)C ZINC000602752141 373207012 /nfs/dbraw/zinc/20/70/12/373207012.db2.gz XYODQXGKMMDTLM-MRVPVSSYSA-N 0 3 271.317 -1.078 20 0 CAADHN COC(=O)CNC(=O)CN[C@H]1CCC(=O)NC1(C)C ZINC000602752142 373207060 /nfs/dbraw/zinc/20/70/60/373207060.db2.gz XYODQXGKMMDTLM-QMMMGPOBSA-N 0 3 271.317 -1.078 20 0 CAADHN COC[C@](C)(CO)NCCC(=O)NCC(=O)OC ZINC000602933144 373209036 /nfs/dbraw/zinc/20/90/36/373209036.db2.gz SDXAWYQIDHYVPZ-NSHDSACASA-N 0 3 262.306 -1.347 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CCN(C)C[C@H]1CO ZINC000602904807 373209531 /nfs/dbraw/zinc/20/95/31/373209531.db2.gz OEROGQYBNPTBMH-NSHDSACASA-N 0 3 287.360 -1.384 20 0 CAADHN COC[C@@](C)(CO)NCCC(=O)NCC(=O)OC ZINC000602933143 373209695 /nfs/dbraw/zinc/20/96/95/373209695.db2.gz SDXAWYQIDHYVPZ-LLVKDONJSA-N 0 3 262.306 -1.347 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC[C@@](C)(O)CO)CC1=O ZINC000355287816 373233433 /nfs/dbraw/zinc/23/34/33/373233433.db2.gz ZBYGZWQCPXSFHZ-ZWNOBZJWSA-N 0 3 287.360 -1.744 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)N1CC(NS(C)(=O)=O)C1 ZINC000637145318 373233611 /nfs/dbraw/zinc/23/36/11/373233611.db2.gz KDRZFCGBUHINOD-QMMMGPOBSA-N 0 3 278.378 -1.121 20 0 CAADHN CN(C)CCOCCNC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000355354244 373235319 /nfs/dbraw/zinc/23/53/19/373235319.db2.gz RRDZSYCAVXVTJB-GHMZBOCLSA-N 0 3 275.349 -1.034 20 0 CAADHN C[C@@H](CNC(=O)N(CCO)CCOCCO)N(C)C ZINC000637195472 373235925 /nfs/dbraw/zinc/23/59/25/373235925.db2.gz AYPSCQOOBOYIQI-NSHDSACASA-N 0 3 277.365 -1.051 20 0 CAADHN CN(C)CCOCCNC(=O)N(C)[C@@H]1COC[C@@H]1O ZINC000355354253 373236693 /nfs/dbraw/zinc/23/66/93/373236693.db2.gz RRDZSYCAVXVTJB-MNOVXSKESA-N 0 3 275.349 -1.034 20 0 CAADHN CCOC[C@@H](O)CNCCS(=O)(=O)N(C)C ZINC000309382758 373241521 /nfs/dbraw/zinc/24/15/21/373241521.db2.gz GRPFADPXEXXQMJ-VIFPVBQESA-N 0 3 254.352 -1.135 20 0 CAADHN CC(C)[C@@H](CNc1nc(N)nc(N)n1)N1CCOCC1 ZINC000623832390 373242992 /nfs/dbraw/zinc/24/29/92/373242992.db2.gz YSUAKPGORADKAF-SECBINFHSA-N 0 3 281.364 -1.113 20 0 CAADHN CCN(CCCS(N)(=O)=O)CCOCCO ZINC000336667907 373243789 /nfs/dbraw/zinc/24/37/89/373243789.db2.gz PPNTVQQIJXHTJG-UHFFFAOYSA-N 0 3 254.352 -1.004 20 0 CAADHN CNS(=O)(=O)CCCN(C)CCOCCO ZINC000336669702 373244055 /nfs/dbraw/zinc/24/40/55/373244055.db2.gz WDGDEPOJXMDLRV-UHFFFAOYSA-N 0 3 254.352 -1.134 20 0 CAADHN COC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336697914 373246900 /nfs/dbraw/zinc/24/69/00/373246900.db2.gz DOEFANPAOSHSDZ-IONNQARKSA-N 0 3 259.306 -1.236 20 0 CAADHN COC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336697934 373247376 /nfs/dbraw/zinc/24/73/76/373247376.db2.gz DOEFANPAOSHSDZ-VXNVDRBHSA-N 0 3 259.306 -1.236 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000637379096 373247657 /nfs/dbraw/zinc/24/76/57/373247657.db2.gz BBOPCIBQMPFMQN-BBBLOLIVSA-N 0 3 280.328 -1.005 20 0 CAADHN CCNC(=O)CNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336733972 373247909 /nfs/dbraw/zinc/24/79/09/373247909.db2.gz UXMACXXHLRBAGT-SNVBAGLBSA-N 0 3 258.322 -1.662 20 0 CAADHN CN(CCN1CCNC1=O)C[C@@H](O)CN1CCOCC1 ZINC000336832427 373249104 /nfs/dbraw/zinc/24/91/04/373249104.db2.gz FFRBTQOWDCWZBJ-GFCCVEGCSA-N 0 3 286.376 -1.364 20 0 CAADHN CN(CCN1CCOCC1)C[C@H](O)CN1CCOCC1 ZINC000336825130 373249123 /nfs/dbraw/zinc/24/91/23/373249123.db2.gz XFNNVJOBDXRSEU-AWEZNQCLSA-N 0 3 287.404 -1.057 20 0 CAADHN CN(CCN1C(=O)CCC1=O)C[C@H](O)CN1CCOCC1 ZINC000336844098 373249158 /nfs/dbraw/zinc/24/91/58/373249158.db2.gz ZBUGFFPLLXWEME-LBPRGKRZSA-N 0 3 299.371 -1.240 20 0 CAADHN NC(=O)[C@H]1C[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000637403500 373251629 /nfs/dbraw/zinc/25/16/29/373251629.db2.gz JQEBJLIQXGHISX-XWLWVQCSSA-N 0 3 282.344 -1.289 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000337050860 373254020 /nfs/dbraw/zinc/25/40/20/373254020.db2.gz OOVADIPLCLBPOL-YGOYTEALSA-N 0 3 256.302 -1.022 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000637439651 373254977 /nfs/dbraw/zinc/25/49/77/373254977.db2.gz BDKSOLHIZZHKMW-VXGBXAGGSA-N 0 3 286.376 -1.317 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C[C@H]1CNCCO1 ZINC000567909875 373256185 /nfs/dbraw/zinc/25/61/85/373256185.db2.gz XZBDNBRCCKQUIO-UMNHJUIQSA-N 0 3 286.328 -1.110 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000637440644 373256402 /nfs/dbraw/zinc/25/64/02/373256402.db2.gz OUGPTQVRIACASD-YNEHKIRRSA-N 0 3 298.387 -1.223 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@H]2COCCN2C)C1 ZINC000637442737 373258735 /nfs/dbraw/zinc/25/87/35/373258735.db2.gz IZEHRTNDVKKKMD-WCQYABFASA-N 0 3 286.376 -1.317 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NC[C@@](C)(O)CN(C)C ZINC000337427503 373258757 /nfs/dbraw/zinc/25/87/57/373258757.db2.gz XJGGEYXWJLIVAE-LLVKDONJSA-N 0 3 295.405 -1.303 20 0 CAADHN CCN(CCO)CCNC(=O)NC[C@@H]1COCCN1C ZINC000637443135 373258985 /nfs/dbraw/zinc/25/89/85/373258985.db2.gz KOTCQCYZQPGELW-GFCCVEGCSA-N 0 3 288.392 -1.070 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@@H]2COCCN2C)C1 ZINC000637442738 373259090 /nfs/dbraw/zinc/25/90/90/373259090.db2.gz IZEHRTNDVKKKMD-YPMHNXCESA-N 0 3 286.376 -1.317 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@](C)(O)CN(C)C ZINC000337465000 373259122 /nfs/dbraw/zinc/25/91/22/373259122.db2.gz RMNMPVNMAXCQRD-PSASIEDQSA-N 0 3 281.378 -1.647 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)NC[C@H]1COCCN1C ZINC000637443275 373259390 /nfs/dbraw/zinc/25/93/90/373259390.db2.gz LPRWFVJFBHNEMX-WCQYABFASA-N 0 3 288.392 -1.071 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC[C@@H]2COCCN2C)C[C@@H]1O ZINC000637443758 373259451 /nfs/dbraw/zinc/25/94/51/373259451.db2.gz ZMHVAXALWQQOGH-WOPDTQHZSA-N 0 3 286.376 -1.367 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NC[C@@H]2COCCN2C)C1 ZINC000637442736 373259563 /nfs/dbraw/zinc/25/95/63/373259563.db2.gz IZEHRTNDVKKKMD-DGCLKSJQSA-N 0 3 286.376 -1.317 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@H]2COCCN2C)C1 ZINC000637442735 373259587 /nfs/dbraw/zinc/25/95/87/373259587.db2.gz IZEHRTNDVKKKMD-AAEUAGOBSA-N 0 3 286.376 -1.317 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CN2CCN1CCC2)C(=O)NCCF ZINC000337535251 373261116 /nfs/dbraw/zinc/26/11/16/373261116.db2.gz HGLKYEBVYLCOLX-GHMZBOCLSA-N 0 3 286.351 -1.033 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CN2CCN1CCC2)C(=O)NCCF ZINC000337535259 373261460 /nfs/dbraw/zinc/26/14/60/373261460.db2.gz HGLKYEBVYLCOLX-QWRGUYRKSA-N 0 3 286.351 -1.033 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)NCCN1CCOCC1 ZINC000337594843 373263917 /nfs/dbraw/zinc/26/39/17/373263917.db2.gz FFYNTVUESLJHKZ-ZDUSSCGKSA-N 0 3 288.392 -1.070 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000337605395 373265058 /nfs/dbraw/zinc/26/50/58/373265058.db2.gz CYKJEUXBCFYQAY-SKDRFNHKSA-N 0 3 272.349 -1.171 20 0 CAADHN CC(=O)NCCN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000563199102 373269653 /nfs/dbraw/zinc/26/96/53/373269653.db2.gz RPAQIGMFTQMXQE-GFCCVEGCSA-N 0 3 298.387 -1.009 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)NC[C@H]1CCCO1 ZINC000339458506 373291796 /nfs/dbraw/zinc/29/17/96/373291796.db2.gz SKRKKXPAYPHPIP-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)NC[C@@H]1CCCO1 ZINC000339458507 373291926 /nfs/dbraw/zinc/29/19/26/373291926.db2.gz SKRKKXPAYPHPIP-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)NC[C@@H]1COCCO1 ZINC000339575082 373293472 /nfs/dbraw/zinc/29/34/72/373293472.db2.gz FCFCRQVSTWFPPM-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CCN1CCN(C(=O)C(=O)NC2CCN(C)CC2)CC1=O ZINC000339632027 373294286 /nfs/dbraw/zinc/29/42/86/373294286.db2.gz OALYFALEZPJKMS-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)NC[C@H]1COCCO1 ZINC000339575084 373294455 /nfs/dbraw/zinc/29/44/55/373294455.db2.gz FCFCRQVSTWFPPM-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(C)CC2)C[C@@H](CO)O1 ZINC000339633574 373296616 /nfs/dbraw/zinc/29/66/16/373296616.db2.gz RFAPYVLBNLSJLV-PWSUYJOCSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NC2CCN(C)CC2)C[C@H](CO)O1 ZINC000339633575 373297133 /nfs/dbraw/zinc/29/71/33/373297133.db2.gz RFAPYVLBNLSJLV-ZYHUDNBSSA-N 0 3 299.371 -1.195 20 0 CAADHN COCCN1CC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623955028 373302441 /nfs/dbraw/zinc/30/24/41/373302441.db2.gz JPHHNYNKMQOGJJ-ZETCQYMHSA-N 0 3 253.310 -1.749 20 0 CAADHN COCC(COC)NC[C@@H](O)CN1CCOCC1 ZINC000388513188 373305490 /nfs/dbraw/zinc/30/54/90/373305490.db2.gz SHQKMIRKEMKDJQ-GFCCVEGCSA-N 0 3 262.350 -1.070 20 0 CAADHN CC(C(=O)N(C1CC1)[C@H]1CC(=O)NC1=O)S(C)(=O)=O ZINC000265208727 373316807 /nfs/dbraw/zinc/31/68/07/373316807.db2.gz FGAYTEWFENVMEQ-XPUUQOCRSA-N 0 3 288.325 -1.174 20 0 CAADHN C=CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000266753576 373319972 /nfs/dbraw/zinc/31/99/72/373319972.db2.gz NNRZOLFWYKCYBU-LLVKDONJSA-N 0 3 296.371 -1.185 20 0 CAADHN CN(C)C[C@H]1CCCN1C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000267540300 373322603 /nfs/dbraw/zinc/32/26/03/373322603.db2.gz VFYKRHPFFLUZHW-SECBINFHSA-N 0 3 296.327 -1.040 20 0 CAADHN CN(C)CCNC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000637542526 373280209 /nfs/dbraw/zinc/28/02/09/373280209.db2.gz PISGPJLNLMDRAQ-UHFFFAOYSA-N 0 3 293.393 -1.662 20 0 CAADHN CC(=O)NCCN(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000567964453 373280789 /nfs/dbraw/zinc/28/07/89/373280789.db2.gz ORVQQWBJVUYZJY-GFCCVEGCSA-N 0 3 268.361 -1.029 20 0 CAADHN COC[C@H](O)CNC(=O)NCCOCCN(C)C ZINC000338744536 373281065 /nfs/dbraw/zinc/28/10/65/373281065.db2.gz LCTHLBXUOJTMRZ-SNVBAGLBSA-N 0 3 263.338 -1.129 20 0 CAADHN CN(C)S(=O)(=O)N(C)CC(=O)N1CCCN(C)CC1 ZINC000563234985 373282924 /nfs/dbraw/zinc/28/29/24/373282924.db2.gz KQNBSHLEYQKIHV-UHFFFAOYSA-N 0 3 292.405 -1.111 20 0 CAADHN COCCN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638055749 373373872 /nfs/dbraw/zinc/37/38/72/373373872.db2.gz IPNFZERYCWIENB-WDEREUQCSA-N 0 3 257.334 -1.107 20 0 CAADHN COC(=O)CNC(=O)CCN[C@H]1C(=O)NCC[C@@H]1C ZINC000282429184 373373938 /nfs/dbraw/zinc/37/39/38/373373938.db2.gz RGINWVBFFGXXNO-GZMMTYOYSA-N 0 3 271.317 -1.220 20 0 CAADHN COCCN1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638057536 373374385 /nfs/dbraw/zinc/37/43/85/373374385.db2.gz RGXSJSBLPPJRAQ-UHFFFAOYSA-N 0 3 270.377 -1.318 20 0 CAADHN CCN(CCC(=O)NCC(=O)OC)[C@@H]1CCNC1=O ZINC000282290877 373374646 /nfs/dbraw/zinc/37/46/46/373374646.db2.gz IZLKJJCVDDKCEZ-SECBINFHSA-N 0 3 271.317 -1.124 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)CN2CCNCC2)CC1 ZINC000638063846 373376127 /nfs/dbraw/zinc/37/61/27/373376127.db2.gz IIQDLXADYQGULZ-UHFFFAOYSA-N 0 3 297.403 -1.828 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)[C@]2(C)CNCCO2)CC1 ZINC000638065489 373376189 /nfs/dbraw/zinc/37/61/89/373376189.db2.gz VMWPTNLQYJQRSZ-AWEZNQCLSA-N 0 3 298.387 -1.355 20 0 CAADHN COC(=O)CNC(=O)CCN[C@@H]1C(=O)NCC[C@@H]1C ZINC000282429194 373376758 /nfs/dbraw/zinc/37/67/58/373376758.db2.gz RGINWVBFFGXXNO-KWQFWETISA-N 0 3 271.317 -1.220 20 0 CAADHN N[C@@H]1CCO[C@@H]1C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000638058900 373376842 /nfs/dbraw/zinc/37/68/42/373376842.db2.gz XIMWUSDPJPQFCD-YPMHNXCESA-N 0 3 296.371 -1.475 20 0 CAADHN COC(=O)c1cn(CC(=O)NCCN(C)C)nn1 ZINC000269730212 373331920 /nfs/dbraw/zinc/33/19/20/373331920.db2.gz XVQSBZZJNXQFCI-UHFFFAOYSA-N 0 3 255.278 -1.258 20 0 CAADHN NC(=O)[C@H]1CCCN1CCCNC(=O)c1nnc[nH]1 ZINC000269559269 373332098 /nfs/dbraw/zinc/33/20/98/373332098.db2.gz QKDMNNXPEAFRNL-MRVPVSSYSA-N 0 3 266.305 -1.126 20 0 CAADHN C[C@H](CN1CCOCC1)NC(=O)[C@@H]1OCC[C@@H]1N ZINC000638069655 373377127 /nfs/dbraw/zinc/37/71/27/373377127.db2.gz LSIVHYHGHVYWDL-OUAUKWLOSA-N 0 3 257.334 -1.061 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638063017 373377581 /nfs/dbraw/zinc/37/75/81/373377581.db2.gz BPOFVWPINIPLLQ-CMPLNLGQSA-N 0 3 284.360 -1.617 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000627407286 373345432 /nfs/dbraw/zinc/34/54/32/373345432.db2.gz MVJJDJGVMGIRCL-SCZZXKLOSA-N 0 3 253.302 -1.242 20 0 CAADHN CC[C@H](C(=O)N(CC(N)=O)CC(N)=O)N(CC)CC ZINC000274079817 373345583 /nfs/dbraw/zinc/34/55/83/373345583.db2.gz QKGXCLAXZKZRDC-SECBINFHSA-N 0 3 272.349 -1.094 20 0 CAADHN O=C(NC1CNC1)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC000627407411 373345893 /nfs/dbraw/zinc/34/58/93/373345893.db2.gz RNTXLIKNUZDBFC-TVQRCGJNSA-N 0 3 267.329 -1.305 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000627407285 373346213 /nfs/dbraw/zinc/34/62/13/373346213.db2.gz MVJJDJGVMGIRCL-PSASIEDQSA-N 0 3 253.302 -1.242 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCN(c2nccnn2)CC1 ZINC000627407606 373348623 /nfs/dbraw/zinc/34/86/23/373348623.db2.gz ZAJCKZJPHMQEMK-UHFFFAOYSA-N 0 3 291.315 -2.392 20 0 CAADHN C[C@H](CN)NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000274413982 373348880 /nfs/dbraw/zinc/34/88/80/373348880.db2.gz JOHGQOIYFMGVLY-MRVPVSSYSA-N 0 3 284.341 -1.053 20 0 CAADHN C[C@H]1CN(C)C[C@H](C(=O)NCC(=O)N2CCNCC2)O1 ZINC000637813074 373350427 /nfs/dbraw/zinc/35/04/27/373350427.db2.gz JBEMWDNEYRVHSH-WDEREUQCSA-N 0 3 284.360 -1.747 20 0 CAADHN C[C@@H]1CN(C)C[C@@H](C(=O)NCC(=O)N2CCNCC2)O1 ZINC000637813072 373350472 /nfs/dbraw/zinc/35/04/72/373350472.db2.gz JBEMWDNEYRVHSH-MNOVXSKESA-N 0 3 284.360 -1.747 20 0 CAADHN O=C(CNC(=O)[C@H]1CN2CCC[C@H]2CO1)N1CCNCC1 ZINC000637812804 373350572 /nfs/dbraw/zinc/35/05/72/373350572.db2.gz CPBJWMDESDCRNI-NWDGAFQWSA-N 0 3 296.371 -1.602 20 0 CAADHN C[C@]1(C(=O)NCC(=O)N2CCNCC2)CNCCO1 ZINC000637813139 373351800 /nfs/dbraw/zinc/35/18/00/373351800.db2.gz KTTRBMUBRPKJDB-GFCCVEGCSA-N 0 3 270.333 -2.087 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)[C@]1(C)CNCCO1 ZINC000637811571 373353486 /nfs/dbraw/zinc/35/34/86/373353486.db2.gz WDTPYRRUGALKPC-ZDUSSCGKSA-N 0 3 284.360 -1.745 20 0 CAADHN CCN[C@@H](C)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000637811004 373354130 /nfs/dbraw/zinc/35/41/30/373354130.db2.gz PVPHBSJQWIQNQH-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)[C@@]1(C)CNCCO1 ZINC000637811569 373354304 /nfs/dbraw/zinc/35/43/04/373354304.db2.gz WDTPYRRUGALKPC-CYBMUJFWSA-N 0 3 284.360 -1.745 20 0 CAADHN CO[C@H]1CN[C@](C)(C(=O)NCC(=O)N2CCNCC2)C1 ZINC000637811073 373355037 /nfs/dbraw/zinc/35/50/37/373355037.db2.gz QBJFZQBURPSUEU-MFKMUULPSA-N 0 3 284.360 -1.699 20 0 CAADHN C[C@H](C(=O)N1CCN[C@H](C)C1)N1CCNCC1=O ZINC000637842788 373356026 /nfs/dbraw/zinc/35/60/26/373356026.db2.gz RYYLNZIXUJUJMW-NXEZZACHSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@@H](N)[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CCO1 ZINC000637866822 373356274 /nfs/dbraw/zinc/35/62/74/373356274.db2.gz PYMOLHRIKHXNCS-VXNVDRBHSA-N 0 3 262.331 -1.394 20 0 CAADHN C[C@@H](C(=O)N1CCN(C)C[C@H]1CN)N1CCNCC1=O ZINC000637865055 373357296 /nfs/dbraw/zinc/35/72/96/373357296.db2.gz ZMYNPDMGBJDTTI-WDEREUQCSA-N 0 3 283.376 -2.092 20 0 CAADHN C[C@H](C(=O)N1CCN[C@@H](C)C1)N1CCNCC1=O ZINC000637842793 373357554 /nfs/dbraw/zinc/35/75/54/373357554.db2.gz RYYLNZIXUJUJMW-VHSXEESVSA-N 0 3 254.334 -1.373 20 0 CAADHN CO[C@H](CN)C(=O)NCCNC(=O)c1cccnc1 ZINC000353430072 373358182 /nfs/dbraw/zinc/35/81/82/373358182.db2.gz QMOAKFYQFXCACJ-SNVBAGLBSA-N 0 3 266.301 -1.099 20 0 CAADHN C[NH+](C)CCNC(=O)Cn1cc([N-]S(C)(=O)=O)cn1 ZINC000607616184 373359553 /nfs/dbraw/zinc/35/95/53/373359553.db2.gz FGVOSZJTRBYEKC-UHFFFAOYSA-N 0 3 289.361 -1.068 20 0 CAADHN COCCNC(=O)CNC(=O)[C@@]1(C)C[C@H](OC)CN1 ZINC000637896832 373359787 /nfs/dbraw/zinc/35/97/87/373359787.db2.gz PXSLRURQSCHULJ-JOYOIKCWSA-N 0 3 273.333 -1.368 20 0 CAADHN COCCNC(=O)CNC(=O)[C@]1(C)C[C@@H](OC)CN1 ZINC000637896833 373360328 /nfs/dbraw/zinc/36/03/28/373360328.db2.gz PXSLRURQSCHULJ-SKDRFNHKSA-N 0 3 273.333 -1.368 20 0 CAADHN CCNC(=O)N1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000637894933 373360753 /nfs/dbraw/zinc/36/07/53/373360753.db2.gz CHMKVDISFJNYAJ-VHSXEESVSA-N 0 3 270.333 -1.024 20 0 CAADHN CN(CC(=O)N1CCOCC1)C(=O)[C@@H]1OCC[C@@H]1N ZINC000637927039 373361836 /nfs/dbraw/zinc/36/18/36/373361836.db2.gz NTEIHRYKGZOLDU-GXSJLCMTSA-N 0 3 271.317 -1.580 20 0 CAADHN CC(C)NS(=O)(=O)CCNC(=O)CN1CCNCC1 ZINC000637961791 373362903 /nfs/dbraw/zinc/36/29/03/373362903.db2.gz DAVPNSAGZSXJBK-UHFFFAOYSA-N 0 3 292.405 -1.664 20 0 CAADHN CCN[C@H](C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC ZINC000637982024 373365684 /nfs/dbraw/zinc/36/56/84/373365684.db2.gz ONFZWLDACZHREG-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN O=C(CN1CCNCC1)N1CCN(C2CC2)C(=O)C1 ZINC000638001145 373365740 /nfs/dbraw/zinc/36/57/40/373365740.db2.gz OXOHNEGFEUPSDI-UHFFFAOYSA-N 0 3 266.345 -1.275 20 0 CAADHN O=C(CN1CCNCC1)NCCCN1C(=O)CCC1=O ZINC000637985576 373365933 /nfs/dbraw/zinc/36/59/33/373365933.db2.gz HHZBNCIDMQVXBN-UHFFFAOYSA-N 0 3 282.344 -1.453 20 0 CAADHN NC(=O)NC[C@H]1CCCCN1C(=O)CN1CCNCC1 ZINC000637971938 373365978 /nfs/dbraw/zinc/36/59/78/373365978.db2.gz VOOIJSAMHHFJBP-LLVKDONJSA-N 0 3 283.376 -1.059 20 0 CAADHN CCN[C@@H](C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC ZINC000637982025 373365996 /nfs/dbraw/zinc/36/59/96/373365996.db2.gz ONFZWLDACZHREG-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NC(=O)CN1CC[C@@](C)(C(=O)NC)C1 ZINC000281137817 373366187 /nfs/dbraw/zinc/36/61/87/373366187.db2.gz OQAIHOWBLANEMA-LLVKDONJSA-N 0 3 256.306 -1.100 20 0 CAADHN COC[C@@]1(C(=O)NCCN2C(=O)CNC2=O)CCCCN1 ZINC000637997399 373366326 /nfs/dbraw/zinc/36/63/26/373366326.db2.gz CEMAGTQSVFAIDG-CYBMUJFWSA-N 0 3 298.343 -1.187 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000353470359 373378816 /nfs/dbraw/zinc/37/88/16/373378816.db2.gz QUCMXZLQTRDGHU-LBPRGKRZSA-N 0 3 298.387 -1.273 20 0 CAADHN O=C(CN1CCNCC1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000638003826 373367049 /nfs/dbraw/zinc/36/70/49/373367049.db2.gz TVIYAAKIINSDJJ-JTQLQIEISA-N 0 3 266.345 -1.229 20 0 CAADHN CN1CCC[C@H](NC(=O)CN2CCNCC2)C1=O ZINC000638004667 373367868 /nfs/dbraw/zinc/36/78/68/373367868.db2.gz DFJQUPAYKPNULW-JTQLQIEISA-N 0 3 254.334 -1.371 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000638007919 373368535 /nfs/dbraw/zinc/36/85/35/373368535.db2.gz DBUJDUUEWNLCKD-SNVBAGLBSA-N 0 3 290.389 -1.958 20 0 CAADHN O=C(CN1CCNCC1)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000638003834 373368589 /nfs/dbraw/zinc/36/85/89/373368589.db2.gz TVIYAAKIINSDJJ-SNVBAGLBSA-N 0 3 266.345 -1.229 20 0 CAADHN C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CN1CCNCC1 ZINC000638010004 373368892 /nfs/dbraw/zinc/36/88/92/373368892.db2.gz BQFBSOMJGDDTAI-QWRGUYRKSA-N 0 3 289.401 -1.074 20 0 CAADHN N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000638003766 373368914 /nfs/dbraw/zinc/36/89/14/373368914.db2.gz SQEMISDUUSYQCA-ZOFUNIGCSA-N 0 3 253.302 -1.018 20 0 CAADHN CCN1C(=O)[C@H]2CN(C(=O)[C@@H]3OCC[C@@H]3N)CCN2C1=O ZINC000638041183 373371082 /nfs/dbraw/zinc/37/10/82/373371082.db2.gz DHRZREOFSHPMOS-IVZWLZJFSA-N 0 3 296.327 -1.403 20 0 CAADHN CC(=O)N1CCN(CCNC(=O)CN2CCNCC2)CC1 ZINC000638070049 373379052 /nfs/dbraw/zinc/37/90/52/373379052.db2.gz OTKNXGMCXHMVNH-UHFFFAOYSA-N 0 3 297.403 -1.828 20 0 CAADHN CCNC(=O)N1CC[C@@H](NC(=O)CN2CCNCC2)C1 ZINC000638041546 373371478 /nfs/dbraw/zinc/37/14/78/373371478.db2.gz LRSSULFDVNHOMT-LLVKDONJSA-N 0 3 283.376 -1.188 20 0 CAADHN CC(C)N1C(=O)C[C@@H](NC(=O)CN2CCNCC2)C1=O ZINC000638039717 373371734 /nfs/dbraw/zinc/37/17/34/373371734.db2.gz DJZMELFEBRRLOS-SNVBAGLBSA-N 0 3 282.344 -1.456 20 0 CAADHN CC[C@@H](NC(=O)[C@@H]1OCC[C@@H]1N)C(=O)N1CCOCC1 ZINC000638028878 373371803 /nfs/dbraw/zinc/37/18/03/373371803.db2.gz JUBBVHANMOJCQZ-HBNTYKKESA-N 0 3 285.344 -1.144 20 0 CAADHN CNC(=O)NC[C@@H]1CN(C(=O)C(C)(C)N)CCO1 ZINC000638500281 373430079 /nfs/dbraw/zinc/43/00/79/373430079.db2.gz PPAVMWBXTOOAHK-MRVPVSSYSA-N 0 3 258.322 -1.120 20 0 CAADHN CN(CCOCCN(C)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000340225442 373401878 /nfs/dbraw/zinc/40/18/78/373401878.db2.gz JCXARJBMNLYAPU-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN COC(=O)CNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286389950 373404367 /nfs/dbraw/zinc/40/43/67/373404367.db2.gz ZSXPXFBCTPTDQO-IWSPIJDZSA-N 0 3 271.317 -1.283 20 0 CAADHN C[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1)N1CCNCC1=O ZINC000638246319 373404385 /nfs/dbraw/zinc/40/43/85/373404385.db2.gz BJQOFUALIWTBNB-GUBZILKMSA-N 0 3 272.324 -1.377 20 0 CAADHN CC[C@@H](N)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 ZINC000638502581 373430270 /nfs/dbraw/zinc/43/02/70/373430270.db2.gz WNTGJQKLNLCKAW-DTWKUNHWSA-N 0 3 258.322 -1.120 20 0 CAADHN CO[C@H]1CN[C@](C)(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000638279629 373405549 /nfs/dbraw/zinc/40/55/49/373405549.db2.gz UKPNDEHWAVRDCO-MFKMUULPSA-N 0 3 285.344 -1.272 20 0 CAADHN CO[C@@H]1CN[C@](C)(C(=O)NCC(=O)N2CCOCC2)C1 ZINC000638279625 373406002 /nfs/dbraw/zinc/40/60/02/373406002.db2.gz UKPNDEHWAVRDCO-GWCFXTLKSA-N 0 3 285.344 -1.272 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638504315 373430519 /nfs/dbraw/zinc/43/05/19/373430519.db2.gz XFSRZJPOMRDBFF-MRVPVSSYSA-N 0 3 266.301 -1.061 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC(CO)CO)n1 ZINC000287432390 373408186 /nfs/dbraw/zinc/40/81/86/373408186.db2.gz USXAKOBXVKPPOZ-UHFFFAOYSA-N 0 3 286.336 -1.139 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2C[C@@H](O)[C@@H](O)C2)n1 ZINC000287609957 373409389 /nfs/dbraw/zinc/40/93/89/373409389.db2.gz FZSMPJPNNOUHEJ-DTORHVGOSA-N 0 3 298.347 -1.362 20 0 CAADHN C[C@@H](C(=O)NCCOCCN(C)C)N1CCNCC1=O ZINC000638290474 373409457 /nfs/dbraw/zinc/40/94/57/373409457.db2.gz GWBURQQJGGIKSC-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)CN2CCNCC2)O1 ZINC000638314061 373410853 /nfs/dbraw/zinc/41/08/53/373410853.db2.gz HQQOYQQQIPGTCU-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN COC(=O)c1cn(CCNC(=O)NCCN(C)C)nn1 ZINC000287832936 373411351 /nfs/dbraw/zinc/41/13/51/373411351.db2.gz NEAGUJBPJNRRJZ-UHFFFAOYSA-N 0 3 284.320 -1.075 20 0 CAADHN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)CN2CCNCC2)O1 ZINC000638314058 373411756 /nfs/dbraw/zinc/41/17/56/373411756.db2.gz HQQOYQQQIPGTCU-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CN(C)C(=O)NCCN(C)C(=O)CN1CCNCC1 ZINC000638308320 373412358 /nfs/dbraw/zinc/41/23/58/373412358.db2.gz LWHNRYVPKATARM-UHFFFAOYSA-N 0 3 271.365 -1.379 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)CN2CCNCC2)O1 ZINC000638314056 373412738 /nfs/dbraw/zinc/41/27/38/373412738.db2.gz HQQOYQQQIPGTCU-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)NC[C@@H]1CN(C(=O)CNC2CC2)CCO1 ZINC000638501903 373430651 /nfs/dbraw/zinc/43/06/51/373430651.db2.gz VWBBIFOLTUUYCP-SNVBAGLBSA-N 0 3 270.333 -1.105 20 0 CAADHN COCCN1CCN(C(=O)CN2CCNCC2)CC1=O ZINC000638318161 373414878 /nfs/dbraw/zinc/41/48/78/373414878.db2.gz YNNSHJIERFELKO-UHFFFAOYSA-N 0 3 284.360 -1.791 20 0 CAADHN COC(=O)CC[C@H](N)C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000288761348 373416975 /nfs/dbraw/zinc/41/69/75/373416975.db2.gz OHGXKBXBAOYLLV-IUCAKERBSA-N 0 3 299.327 -1.081 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000353510417 373417499 /nfs/dbraw/zinc/41/74/99/373417499.db2.gz JFNQEBWOZHBTNK-CMPLNLGQSA-N 0 3 298.387 -1.229 20 0 CAADHN CN1CC[C@](C)(C(=O)NC[C@@H]2CNCCO2)C1=O ZINC000638338524 373417579 /nfs/dbraw/zinc/41/75/79/373417579.db2.gz YCXLPEMUERFGME-JOYOIKCWSA-N 0 3 255.318 -1.041 20 0 CAADHN CN1CC[C@@](C)(C(=O)NC[C@H]2CNCCO2)C1=O ZINC000638338525 373417872 /nfs/dbraw/zinc/41/78/72/373417872.db2.gz YCXLPEMUERFGME-SKDRFNHKSA-N 0 3 255.318 -1.041 20 0 CAADHN COC(=O)CC[C@@H](N)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000288761350 373418242 /nfs/dbraw/zinc/41/82/42/373418242.db2.gz OHGXKBXBAOYLLV-RKDXNWHRSA-N 0 3 299.327 -1.081 20 0 CAADHN CCN[C@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000638409786 373420444 /nfs/dbraw/zinc/42/04/44/373420444.db2.gz SDMYDAKSLZUDQZ-HLTSFMKQSA-N 0 3 264.347 -1.087 20 0 CAADHN CCN[C@H](C)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000638409787 373420521 /nfs/dbraw/zinc/42/05/21/373420521.db2.gz SDMYDAKSLZUDQZ-HRDYMLBCSA-N 0 3 264.347 -1.087 20 0 CAADHN CCN[C@H](C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000638409789 373420785 /nfs/dbraw/zinc/42/07/85/373420785.db2.gz SDMYDAKSLZUDQZ-VGMNWLOBSA-N 0 3 264.347 -1.087 20 0 CAADHN CC(C)(C)n1nnc(CNC(=O)CN2CCNCC2)n1 ZINC000638395505 373421116 /nfs/dbraw/zinc/42/11/16/373421116.db2.gz WNVABDIFEIOFIS-UHFFFAOYSA-N 0 3 281.364 -1.051 20 0 CAADHN O=C(CN1CCNCC1)N1CCN([C@H]2CCOC2)CC1 ZINC000638413717 373421229 /nfs/dbraw/zinc/42/12/29/373421229.db2.gz DOCUNKPBJGTGQL-ZDUSSCGKSA-N 0 3 282.388 -1.175 20 0 CAADHN C[C@]1(C(=O)NC[C@H]2CN3CCN2CCC3)CNCCO1 ZINC000638427956 373422246 /nfs/dbraw/zinc/42/22/46/373422246.db2.gz XXETUGAAZCJNQV-GXTWGEPZSA-N 0 3 282.388 -1.129 20 0 CAADHN C[C@@H](C(=O)N1CC[C@@H](F)[C@H](N)C1)N1CCNCC1=O ZINC000638431840 373422764 /nfs/dbraw/zinc/42/27/64/373422764.db2.gz VHUTWPHZHRYSJX-IVZWLZJFSA-N 0 3 272.324 -1.296 20 0 CAADHN C[C@@]1(C(=O)N2CCOC3(CNC3)C2)CNCCO1 ZINC000638437854 373422859 /nfs/dbraw/zinc/42/28/59/373422859.db2.gz PNPARKZIWDYQPX-NSHDSACASA-N 0 3 255.318 -1.434 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)CN2CCNCC2)CS1(=O)=O ZINC000638414628 373422988 /nfs/dbraw/zinc/42/29/88/373422988.db2.gz SIWCKIRUPUXQBU-WDEREUQCSA-N 0 3 289.401 -1.027 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)CN2CCNCC2)CS1(=O)=O ZINC000638414626 373423363 /nfs/dbraw/zinc/42/33/63/373423363.db2.gz SIWCKIRUPUXQBU-MNOVXSKESA-N 0 3 289.401 -1.027 20 0 CAADHN NCC(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638476106 373424624 /nfs/dbraw/zinc/42/46/24/373424624.db2.gz GYEMOIWOAXYGBR-UHFFFAOYSA-N 0 3 255.322 -1.886 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCN1CCCC1=O ZINC000405387747 373424794 /nfs/dbraw/zinc/42/47/94/373424794.db2.gz CXLAOJIXVPAJPU-LBPRGKRZSA-N 0 3 284.360 -1.176 20 0 CAADHN O=C(CN1CCNCC1)N1CCN(c2nccnn2)CC1 ZINC000638462688 373425254 /nfs/dbraw/zinc/42/52/54/373425254.db2.gz AHLHQNNNGCXOOO-UHFFFAOYSA-N 0 3 291.359 -1.575 20 0 CAADHN O=C(N1CCNCC1)N1CCN(C(=O)C2(O)CNC2)CC1 ZINC000638481366 373425587 /nfs/dbraw/zinc/42/55/87/373425587.db2.gz HQPRBUOGDKAYLI-UHFFFAOYSA-N 0 3 297.359 -2.510 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000638478034 373426436 /nfs/dbraw/zinc/42/64/36/373426436.db2.gz WBCLDJDTBQLFLI-SNVBAGLBSA-N 0 3 269.349 -1.497 20 0 CAADHN C[C@]1(C(=O)NCCCN2CCC[C@H]2C(N)=O)CNCCO1 ZINC000638496518 373427642 /nfs/dbraw/zinc/42/76/42/373427642.db2.gz SMLRXWIMHWBVKO-SMDDNHRTSA-N 0 3 298.387 -1.179 20 0 CAADHN CNC(=O)NC[C@@H]1CN(C(=O)[C@H](C)NC)CCO1 ZINC000638497178 373428497 /nfs/dbraw/zinc/42/84/97/373428497.db2.gz DVVYBFRMAOHOFG-DTWKUNHWSA-N 0 3 258.322 -1.249 20 0 CAADHN CCN[C@H](C)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000638081855 373379529 /nfs/dbraw/zinc/37/95/29/373379529.db2.gz DHNPXJMNVATGOW-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN C[C@H](C(=O)NC[C@H](C)N(C)C)N1CCNCC1=O ZINC000638080183 373379851 /nfs/dbraw/zinc/37/98/51/373379851.db2.gz LNXWDRHBKMFASW-VHSXEESVSA-N 0 3 256.350 -1.127 20 0 CAADHN CCNC(=O)NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000283159630 373380336 /nfs/dbraw/zinc/38/03/36/373380336.db2.gz VPSCRDSXILWRSM-LURJTMIESA-N 0 3 292.317 -1.761 20 0 CAADHN COCCN(C)CCNC(=O)[C@H](C)N1CCNCC1=O ZINC000638091431 373380989 /nfs/dbraw/zinc/38/09/89/373380989.db2.gz NYQTUTVUQUZEEL-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN C[C@@H]1CN(CCNC(=O)CN2CCNCC2)CCO1 ZINC000638089549 373381509 /nfs/dbraw/zinc/38/15/09/373381509.db2.gz BEYLJHYERRJJSM-GFCCVEGCSA-N 0 3 270.377 -1.272 20 0 CAADHN O=C(CCNC(=O)CN1CCNCC1)Nc1ccncc1 ZINC000638094426 373382323 /nfs/dbraw/zinc/38/23/23/373382323.db2.gz RJIPJYOBYYQFAF-UHFFFAOYSA-N 0 3 291.355 -1.147 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CCNC1=O ZINC000283219631 373382382 /nfs/dbraw/zinc/38/23/82/373382382.db2.gz ZTSGPRNWROYCGG-LURJTMIESA-N 0 3 290.301 -2.055 20 0 CAADHN C[C@H](CNC(=O)CN1CCNCC1)CN1CCOCC1 ZINC000638091035 373382647 /nfs/dbraw/zinc/38/26/47/373382647.db2.gz OFHRLCYHAZXTCK-CYBMUJFWSA-N 0 3 284.404 -1.024 20 0 CAADHN C[C@@H]1CN(CCNC(=O)[C@@H]2OCC[C@@H]2N)CCO1 ZINC000638089482 373382788 /nfs/dbraw/zinc/38/27/88/373382788.db2.gz AHOGAYXCRWEBHB-OUAUKWLOSA-N 0 3 257.334 -1.061 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000340183426 373384123 /nfs/dbraw/zinc/38/41/23/373384123.db2.gz BJKPJBKSNJZTFF-SNVBAGLBSA-N 0 3 298.343 -2.137 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@@H](C)N2CCNCC2=O)C1 ZINC000638098515 373384283 /nfs/dbraw/zinc/38/42/83/373384283.db2.gz BGFJZTDMJMJFHO-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN O=C(CN1CCNCC1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000638103513 373385950 /nfs/dbraw/zinc/38/59/50/373385950.db2.gz PRUNZPFCQUTJQI-KBPBESRZSA-N 0 3 296.415 -1.051 20 0 CAADHN O=C(CN1CCNCC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000638103514 373386153 /nfs/dbraw/zinc/38/61/53/373386153.db2.gz PRUNZPFCQUTJQI-KGLIPLIRSA-N 0 3 296.415 -1.051 20 0 CAADHN CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638126467 373388006 /nfs/dbraw/zinc/38/80/06/373388006.db2.gz VXMPCMATZFTBCX-WCQYABFASA-N 0 3 298.387 -1.275 20 0 CAADHN CN1CCN(CCNC(=O)[C@@]2(C)CNCCO2)CC1 ZINC000638137187 373388772 /nfs/dbraw/zinc/38/87/72/373388772.db2.gz RVIOABJYSZGIOR-CYBMUJFWSA-N 0 3 270.377 -1.272 20 0 CAADHN C[C@@H](Cn1cncn1)NC(=O)C(=O)NCCN(C)C1CC1 ZINC000285015936 373391514 /nfs/dbraw/zinc/39/15/14/373391514.db2.gz MQKLMNVGSPAHPQ-JTQLQIEISA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](CO)N(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000285010567 373392585 /nfs/dbraw/zinc/39/25/85/373392585.db2.gz ZEUZNJUTGOLDSX-SECBINFHSA-N 0 3 295.343 -1.254 20 0 CAADHN O=C(Cc1ncn[nH]1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000638172877 373395203 /nfs/dbraw/zinc/39/52/03/373395203.db2.gz BFGMRQMNXZJMTH-SNVBAGLBSA-N 0 3 292.343 -1.230 20 0 CAADHN C[C@H](C(=O)N1CCCN(C)CC1)N1CCNCC1=O ZINC000638168443 373396201 /nfs/dbraw/zinc/39/62/01/373396201.db2.gz FPQTYNVMCPQSRT-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](O)CO)n1 ZINC000286052050 373397999 /nfs/dbraw/zinc/39/79/99/373397999.db2.gz AYCCNVQBUYHJCR-MRVPVSSYSA-N 0 3 286.336 -1.139 20 0 CAADHN CN(CCOCCN(C)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000340225441 373400741 /nfs/dbraw/zinc/40/07/41/373400741.db2.gz JCXARJBMNLYAPU-TXEJJXNPSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@]1(C(=O)N2CC[C@H]3OCCN[C@H]3C2)CNCCO1 ZINC000638227653 373400996 /nfs/dbraw/zinc/40/09/96/373400996.db2.gz RBLVWIHVYQMIQC-DMDPSCGWSA-N 0 3 269.345 -1.046 20 0 CAADHN CCOC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000295260439 373439942 /nfs/dbraw/zinc/43/99/42/373439942.db2.gz GYDYHHQAHPRKAC-ZCFIWIBFSA-N 0 3 250.276 -1.043 20 0 CAADHN N[C@@H]1CCCCN(CC(=O)NC[C@H]2COCCN2)C1=O ZINC000638612456 373442891 /nfs/dbraw/zinc/44/28/91/373442891.db2.gz BCDPXJOJHMPTGM-WDEREUQCSA-N 0 3 284.360 -1.569 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)CN1CCCC[C@H](N)C1=O ZINC000638609919 373443037 /nfs/dbraw/zinc/44/30/37/373443037.db2.gz HQEPKBLLOITYNJ-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1COCCN1C ZINC000638612100 373444469 /nfs/dbraw/zinc/44/44/69/373444469.db2.gz SJDNXUICQYXALI-PWSUYJOCSA-N 0 3 286.376 -1.467 20 0 CAADHN CCN1CCN(CC(=O)NC[C@@H]2COCCN2)CC1 ZINC000638617506 373444755 /nfs/dbraw/zinc/44/47/55/373444755.db2.gz IJHLKVCONYLZOQ-GFCCVEGCSA-N 0 3 270.377 -1.272 20 0 CAADHN CCN1CCN(CC(=O)NC[C@H]2COCCN2)CC1 ZINC000638617507 373445319 /nfs/dbraw/zinc/44/53/19/373445319.db2.gz IJHLKVCONYLZOQ-LBPRGKRZSA-N 0 3 270.377 -1.272 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)COC1(C)CNC1 ZINC000638612608 373446160 /nfs/dbraw/zinc/44/61/60/373446160.db2.gz VTEOPWPCLBOMAA-SNVBAGLBSA-N 0 3 257.334 -1.188 20 0 CAADHN CCN1CCO[C@@H](C(=O)NC[C@@H]2COCCN2)C1 ZINC000638616014 373446360 /nfs/dbraw/zinc/44/63/60/373446360.db2.gz LFRWVVFLTDINEZ-GHMZBOCLSA-N 0 3 257.334 -1.188 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@H]2COCCN2)C1 ZINC000638616016 373446419 /nfs/dbraw/zinc/44/64/19/373446419.db2.gz LFRWVVFLTDINEZ-QWRGUYRKSA-N 0 3 257.334 -1.188 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C)CC(=O)N1 ZINC000298111769 373450977 /nfs/dbraw/zinc/45/09/77/373450977.db2.gz ORLNYLIDESAKFG-VIFPVBQESA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)CN2CC(=O)[N-]C2=O)C[NH2+]1 ZINC000638650077 373451165 /nfs/dbraw/zinc/45/11/65/373451165.db2.gz RZWOMHAOPRAQPD-HTQZYQBOSA-N 0 3 254.290 -1.205 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)CN2CC(=O)[N-]C2=O)C[NH2+]1 ZINC000638650079 373451881 /nfs/dbraw/zinc/45/18/81/373451881.db2.gz RZWOMHAOPRAQPD-SFYZADRCSA-N 0 3 254.290 -1.205 20 0 CAADHN CNC(=O)C(=O)N(CCOCCO)CCN(C)C ZINC000340613491 373456753 /nfs/dbraw/zinc/45/67/53/373456753.db2.gz BAMTWINRBRDQJY-UHFFFAOYSA-N 0 3 261.322 -1.869 20 0 CAADHN CNS(=O)(=O)CCNC(=O)NC[C@H]1CCCN1C ZINC000187618973 373460348 /nfs/dbraw/zinc/46/03/48/373460348.db2.gz MASOARYGQWJHPX-SECBINFHSA-N 0 3 278.378 -1.071 20 0 CAADHN CC1(OCC(=O)N2CCO[C@H](CC(N)=O)C2)CNC1 ZINC000638724539 373460534 /nfs/dbraw/zinc/46/05/34/373460534.db2.gz PLRWEOCRJUTWTI-SECBINFHSA-N 0 3 271.317 -1.532 20 0 CAADHN CCN[C@H](C)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC000638747697 373461625 /nfs/dbraw/zinc/46/16/25/373461625.db2.gz HZYIZLOYYMWUIV-NXEZZACHSA-N 0 3 293.389 -1.239 20 0 CAADHN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)CNC1CC1 ZINC000638750890 373462568 /nfs/dbraw/zinc/46/25/68/373462568.db2.gz WBMQCGSNZRMDRB-SNVBAGLBSA-N 0 3 291.373 -1.485 20 0 CAADHN CCN[C@@H](C)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000638747698 373462934 /nfs/dbraw/zinc/46/29/34/373462934.db2.gz HZYIZLOYYMWUIV-UWVGGRQHSA-N 0 3 293.389 -1.239 20 0 CAADHN CNCC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000638747719 373463051 /nfs/dbraw/zinc/46/30/51/373463051.db2.gz IEKWZIPFVRDUDV-QMMMGPOBSA-N 0 3 265.335 -2.018 20 0 CAADHN CC(C)NCC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC000638746854 373463234 /nfs/dbraw/zinc/46/32/34/373463234.db2.gz DLSBCMORLQJPSZ-JTQLQIEISA-N 0 3 293.389 -1.239 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)NC(CO)CO ZINC000341111052 373464627 /nfs/dbraw/zinc/46/46/27/373464627.db2.gz VSIPXMMDYLZJCZ-LLVKDONJSA-N 0 3 275.349 -1.250 20 0 CAADHN COCCN(C)CCCNC(=O)NC(CO)CO ZINC000341025466 373465630 /nfs/dbraw/zinc/46/56/30/373465630.db2.gz WTQKPHBMZZPMQY-UHFFFAOYSA-N 0 3 263.338 -1.393 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCN(C)CCOC ZINC000341117357 373465758 /nfs/dbraw/zinc/46/57/58/373465758.db2.gz BEAFASQRVLYYFR-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC000341262689 373466821 /nfs/dbraw/zinc/46/68/21/373466821.db2.gz ORSNSJYNHGTLGQ-SECBINFHSA-N 0 3 258.322 -1.118 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCNC(N)=O)C1 ZINC000341262691 373467422 /nfs/dbraw/zinc/46/74/22/373467422.db2.gz ORSNSJYNHGTLGQ-VIFPVBQESA-N 0 3 258.322 -1.118 20 0 CAADHN C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cn(C)c(=O)[n-]c1=O ZINC000638770120 373469992 /nfs/dbraw/zinc/46/99/92/373469992.db2.gz FVANNQCLBZYPNV-POYBYMJQSA-N 0 3 252.274 -1.034 20 0 CAADHN CCNC(=O)CNc1nc(NCCO)nc(NC(C)C)n1 ZINC000341377875 373470408 /nfs/dbraw/zinc/47/04/08/373470408.db2.gz OGWVJTTWEVBVNY-UHFFFAOYSA-N 0 3 297.363 -2.090 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC2CCOCC2)n1 ZINC000341579686 373472869 /nfs/dbraw/zinc/47/28/69/373472869.db2.gz ZOYDFYGZKIPMJA-UHFFFAOYSA-N 0 3 296.375 -1.047 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H](C)[C@@H](C)CO)n1 ZINC000342350491 373475018 /nfs/dbraw/zinc/47/50/18/373475018.db2.gz OPDOUFSYGVHBDP-UWVGGRQHSA-N 0 3 298.391 -1.209 20 0 CAADHN CNC(=O)N[C@H]1CCN(CCC(=O)NC(N)=O)C1 ZINC000342335682 373477041 /nfs/dbraw/zinc/47/70/41/373477041.db2.gz HVCYVJFRYKVSBF-ZETCQYMHSA-N 0 3 257.294 -1.425 20 0 CAADHN COCCNCC(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000638848665 373479403 /nfs/dbraw/zinc/47/94/03/373479403.db2.gz JXGISUGLEOSOBS-STQMWFEESA-N 0 3 283.328 -1.266 20 0 CAADHN C[C@]12CN(C(=O)C3(N)CC3)C[C@@]1(C)C(=O)NC2=O ZINC000638848822 373479423 /nfs/dbraw/zinc/47/94/23/373479423.db2.gz NJTYXUXNZXBJAC-PHIMTYICSA-N 0 3 251.286 -1.011 20 0 CAADHN CN(C)[C@@]1(CNC(=O)C(=O)N(C)CCO)CCSC1 ZINC000340437731 373432822 /nfs/dbraw/zinc/43/28/22/373432822.db2.gz WTWWGTAPFYQTGK-GFCCVEGCSA-N 0 3 289.401 -1.009 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)NCC(=O)N(C)C ZINC000340461003 373435416 /nfs/dbraw/zinc/43/54/16/373435416.db2.gz AAYWBCNLKNIEFL-UHFFFAOYSA-N 0 3 288.348 -2.115 20 0 CAADHN CNS(=O)(=O)CCCNC(=O)CNC[C@H]1CCCO1 ZINC000638979369 373491886 /nfs/dbraw/zinc/49/18/86/373491886.db2.gz CDLAMTXGYQLZGO-SNVBAGLBSA-N 0 3 293.389 -1.190 20 0 CAADHN COC(=O)[C@@H]1CNC(=O)CN1C(=O)C(C)S(C)(=O)=O ZINC000330990546 373491913 /nfs/dbraw/zinc/49/19/13/373491913.db2.gz SELZKLIFSJUMQL-RQJHMYQMSA-N 0 3 292.313 -2.081 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CCN1CCCC1 ZINC000331340036 373494365 /nfs/dbraw/zinc/49/43/65/373494365.db2.gz XCXWPWDGYAMHSD-UHFFFAOYSA-N 0 3 278.378 -1.406 20 0 CAADHN CC[C@@H](N)C(=O)N1CCOC[C@@H]1CNC(=O)NC ZINC000639005648 373495082 /nfs/dbraw/zinc/49/50/82/373495082.db2.gz YWLSLJNHKBDSSR-DTWKUNHWSA-N 0 3 258.322 -1.120 20 0 CAADHN CC[C@H](N)C(=O)N1CCOC[C@@H]1CNC(=O)NC ZINC000639005649 373495115 /nfs/dbraw/zinc/49/51/15/373495115.db2.gz YWLSLJNHKBDSSR-IUCAKERBSA-N 0 3 258.322 -1.120 20 0 CAADHN CNC(=O)NC[C@H]1COCCN1C(=O)CN1CCNCC1 ZINC000639003050 373495185 /nfs/dbraw/zinc/49/51/85/373495185.db2.gz DFPOLDQPQMCHOF-NSHDSACASA-N 0 3 299.375 -1.952 20 0 CAADHN CNC(=O)NC[C@H]1COCCN1C(=O)CNC1CC1 ZINC000639005292 373495280 /nfs/dbraw/zinc/49/52/80/373495280.db2.gz VUGUBVCHUJZBCJ-JTQLQIEISA-N 0 3 270.333 -1.105 20 0 CAADHN CNC(=O)NC[C@@H]1COCCN1C(=O)CNC1CC1 ZINC000639005293 373495472 /nfs/dbraw/zinc/49/54/72/373495472.db2.gz VUGUBVCHUJZBCJ-SNVBAGLBSA-N 0 3 270.333 -1.105 20 0 CAADHN CNC(=O)NC[C@@H]1COCCN1C(=O)CNCCOC ZINC000639002866 373495566 /nfs/dbraw/zinc/49/55/66/373495566.db2.gz BSZUCDPURPVAPC-SNVBAGLBSA-N 0 3 288.348 -1.621 20 0 CAADHN CNC(=O)NC[C@@H]1COCCN1C(=O)[C@H](C)NC ZINC000639003833 373495938 /nfs/dbraw/zinc/49/59/38/373495938.db2.gz KLZVOBOPXJSMKQ-DTWKUNHWSA-N 0 3 258.322 -1.249 20 0 CAADHN CNCCNS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000054244545 373497216 /nfs/dbraw/zinc/49/72/16/373497216.db2.gz MITKXHAIUQEWHR-UHFFFAOYSA-N 0 3 260.319 -1.378 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCCC(=O)N3)CCN2C1=O ZINC000567063347 373498056 /nfs/dbraw/zinc/49/80/56/373498056.db2.gz VUDLZERXOCZCLL-MXWKQRLJSA-N 0 3 294.355 -1.184 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)C[C@H](CO)O1 ZINC000343316295 373500498 /nfs/dbraw/zinc/50/04/98/373500498.db2.gz ZEEYDOFKSHXWPK-ZYHUDNBSSA-N 0 3 299.371 -1.195 20 0 CAADHN O=C(N[C@H]1CCC(=O)NC1)[C@@H]1CN2CCN1CCC2 ZINC000343345897 373506058 /nfs/dbraw/zinc/50/60/58/373506058.db2.gz RJBZMCNORNIHIL-QWRGUYRKSA-N 0 3 266.345 -1.229 20 0 CAADHN O=C(N[C@@H]1CCC(=O)NC1)[C@@H]1CN2CCN1CCC2 ZINC000343345894 373507252 /nfs/dbraw/zinc/50/72/52/373507252.db2.gz RJBZMCNORNIHIL-MNOVXSKESA-N 0 3 266.345 -1.229 20 0 CAADHN COC(=O)CC[C@H](N)C(=O)N1CCNC(=O)[C@H]1C ZINC000343415878 373507521 /nfs/dbraw/zinc/50/75/21/373507521.db2.gz LUUOLEFAQHSJBC-SFYZADRCSA-N 0 3 257.290 -1.386 20 0 CAADHN COC(=O)CNC(=O)CN1CCCN([C@H](C)CO)CC1 ZINC000346654059 373535563 /nfs/dbraw/zinc/53/55/63/373535563.db2.gz RDJNGWJOSNSRPZ-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CCn1ncn(C)c1=O ZINC000343556742 373510812 /nfs/dbraw/zinc/51/08/12/373510812.db2.gz LGYRBRVFFBFBMM-GFCCVEGCSA-N 0 3 285.348 -1.599 20 0 CAADHN CNc1nc(NC[C@@H](C)O)nc(NC[C@H](C)O)n1 ZINC000343798252 373515326 /nfs/dbraw/zinc/51/53/26/373515326.db2.gz ZLUPUOMCOJJAHF-KNVOCYPGSA-N 0 3 256.310 -2.236 20 0 CAADHN COC(=O)[C@@](C)(O)CN(C)C[C@H](O)CN1CCOCC1 ZINC000343823186 373516402 /nfs/dbraw/zinc/51/64/02/373516402.db2.gz ULKWTAAKHGHNJG-AAEUAGOBSA-N 0 3 290.360 -1.465 20 0 CAADHN COC(=O)[C@](C)(O)CN(C)C[C@H](O)CN1CCOCC1 ZINC000343823190 373516492 /nfs/dbraw/zinc/51/64/92/373516492.db2.gz ULKWTAAKHGHNJG-WCQYABFASA-N 0 3 290.360 -1.465 20 0 CAADHN CNc1nc(NCC[C@@H](C)O)nc(NCC[C@@H](C)O)n1 ZINC000343887403 373519064 /nfs/dbraw/zinc/51/90/64/373519064.db2.gz VEFOPLWRYGXHFX-RKDXNWHRSA-N 0 3 284.364 -1.455 20 0 CAADHN NC(=O)NC(=O)CCN1CCC[C@](O)(Cn2ccnn2)C1 ZINC000343963638 373519695 /nfs/dbraw/zinc/51/96/95/373519695.db2.gz RJAIHRMRKITEBC-GFCCVEGCSA-N 0 3 296.331 -1.310 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC(C)(C)C(N)=O)CC1=O ZINC000344037877 373519737 /nfs/dbraw/zinc/51/97/37/373519737.db2.gz FIYVELHYHKNAHX-VIFPVBQESA-N 0 3 284.360 -1.223 20 0 CAADHN COCCN(C)CCNC(=O)CCS(=O)(=O)N(C)C ZINC000345430919 373531140 /nfs/dbraw/zinc/53/11/40/373531140.db2.gz VAIXWCQOBFBQHD-UHFFFAOYSA-N 0 3 295.405 -1.038 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC(C)(CO)CO)CC1=O ZINC000346473043 373534032 /nfs/dbraw/zinc/53/40/32/373534032.db2.gz DXCOOQUKVUDRPG-SNVBAGLBSA-N 0 3 287.360 -1.744 20 0 CAADHN CN(C[C@H](O)CN1CCN2C(=O)C(=O)NC[C@H]2C1)C1CC1 ZINC000328634944 373487110 /nfs/dbraw/zinc/48/71/10/373487110.db2.gz BUUCHRYSQQLYGX-RYUDHWBXSA-N 0 3 296.371 -1.916 20 0 CAADHN Cn1nccc1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000129721772 373579506 /nfs/dbraw/zinc/57/95/06/373579506.db2.gz NGPYIVOTWKDADV-MRVPVSSYSA-N 0 3 260.319 -1.313 20 0 CAADHN CCN(C(=O)CNS(=O)(=O)NC)[C@@H]1CCN(C)C1 ZINC000617550958 373580075 /nfs/dbraw/zinc/58/00/75/373580075.db2.gz IKSRUBOFRFJCLS-SECBINFHSA-N 0 3 278.378 -1.407 20 0 CAADHN CCN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@H]1CCN(C)C1 ZINC000617551343 373580404 /nfs/dbraw/zinc/58/04/04/373580404.db2.gz PKVKYCUJGVUKTG-UMSGYPCISA-N 0 3 284.356 -1.048 20 0 CAADHN COC[C@H](O)CN1CCN(Cc2nnc[nH]2)CC1 ZINC000639722381 373596660 /nfs/dbraw/zinc/59/66/60/373596660.db2.gz ZJDJQVDOVUBNLC-SNVBAGLBSA-N 0 3 255.322 -1.070 20 0 CAADHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCNC(=O)C1 ZINC000332629184 373582312 /nfs/dbraw/zinc/58/23/12/373582312.db2.gz JBNYWLCMWWAWGG-WDEREUQCSA-N 0 3 294.355 -1.360 20 0 CAADHN C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CCN1S(C)(=O)=O ZINC000331367398 373582981 /nfs/dbraw/zinc/58/29/81/373582981.db2.gz DTKPMUCOEUDEPV-YIZRAAEISA-N 0 3 261.347 -1.174 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000332730013 373583530 /nfs/dbraw/zinc/58/35/30/373583530.db2.gz RBXYSPVZECWDDN-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000333998717 373586752 /nfs/dbraw/zinc/58/67/52/373586752.db2.gz PTARZRRODUSDNI-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN CN(CCC[NH+](C)C)CCNC(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000617765572 373587302 /nfs/dbraw/zinc/58/73/02/373587302.db2.gz HGXPBFOIEXKMML-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN Nc1nc(N)nc(N2CCN(CCCO)CC2)n1 ZINC000623911495 373591173 /nfs/dbraw/zinc/59/11/73/373591173.db2.gz CHWXURVQFCGDHU-UHFFFAOYSA-N 0 3 253.310 -1.799 20 0 CAADHN CN(CCNC(=O)NCCNS(C)(=O)=O)C1CC1 ZINC000352654465 373591315 /nfs/dbraw/zinc/59/13/15/373591315.db2.gz BMXXBTMRAXLTFO-UHFFFAOYSA-N 0 3 278.378 -1.071 20 0 CAADHN Cc1nc(CN2CCN(CCC(=O)NC(N)=O)CC2)n[nH]1 ZINC000609849116 373592587 /nfs/dbraw/zinc/59/25/87/373592587.db2.gz BSLGAMYJMVTWML-UHFFFAOYSA-N 0 3 295.347 -1.184 20 0 CAADHN C[C@H]1COCCN1CCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000582230798 373593369 /nfs/dbraw/zinc/59/33/69/373593369.db2.gz DCQYZRFIGPNINQ-STQMWFEESA-N 0 3 299.419 -1.009 20 0 CAADHN Cn1cc(CNC[C@@H]2COCCN2C)c(=O)n(C)c1=O ZINC000623711155 373593788 /nfs/dbraw/zinc/59/37/88/373593788.db2.gz WFOOCUVJKYZTRN-LLVKDONJSA-N 0 3 282.344 -1.496 20 0 CAADHN CC[C@@H](N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000574449974 335020548 /nfs/dbraw/zinc/02/05/48/335020548.db2.gz WCCCYTIWAIEAPH-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN OC[C@@H]1CC[C@@H](CO)N1C[C@@H](O)CN1CCOCC1 ZINC000347291670 373538832 /nfs/dbraw/zinc/53/88/32/373538832.db2.gz BLBXGPPVVSSCPC-AVGNSLFASA-N 0 3 274.361 -1.503 20 0 CAADHN CNC(=O)NC(=O)CN1CCCN([C@@H](C)CO)CC1 ZINC000346688268 373539332 /nfs/dbraw/zinc/53/93/32/373539332.db2.gz XNXJQIMLDOVMIS-JTQLQIEISA-N 0 3 272.349 -1.170 20 0 CAADHN CNS(=O)(=O)CCCN1[C@H](CO)CC[C@H]1CO ZINC000347324053 373539481 /nfs/dbraw/zinc/53/94/81/373539481.db2.gz XVIDBOYOXWTAIQ-UWVGGRQHSA-N 0 3 266.363 -1.257 20 0 CAADHN CNC(=O)NC(=O)CN1CCCN([C@H](C)CO)CC1 ZINC000346688269 373539680 /nfs/dbraw/zinc/53/96/80/373539680.db2.gz XNXJQIMLDOVMIS-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN C[C@H](CO)N1CCCN(CC(=O)N2CCNC(=O)C2)CC1 ZINC000346694059 373540749 /nfs/dbraw/zinc/54/07/49/373540749.db2.gz RPZVQOJMWUMTCQ-GFCCVEGCSA-N 0 3 298.387 -1.667 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)N1CCN(C)C[C@H]1CN ZINC000582230795 373594359 /nfs/dbraw/zinc/59/43/59/373594359.db2.gz DCQYZRFIGPNINQ-CHWSQXEVSA-N 0 3 299.419 -1.009 20 0 CAADHN COCCN1CCN(CCC(=O)NCC(=O)OC)CC1 ZINC000348054424 373542889 /nfs/dbraw/zinc/54/28/89/373542889.db2.gz ITEHGWDLCCLKCL-UHFFFAOYSA-N 0 3 287.360 -1.070 20 0 CAADHN NC(=O)N[C@H](CO)C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000348230125 373544485 /nfs/dbraw/zinc/54/44/85/373544485.db2.gz LDGYJCCZRIXSPF-NXEZZACHSA-N 0 3 288.348 -2.021 20 0 CAADHN COCCN(C)CCNC(=O)C1(NC(N)=O)CC1 ZINC000348227172 373544981 /nfs/dbraw/zinc/54/49/81/373544981.db2.gz VLRGYEXOWUOEBT-UHFFFAOYSA-N 0 3 258.322 -1.118 20 0 CAADHN CCOC(=O)[C@@](C)(O)CN1CC[C@](O)(C(N)=O)C1 ZINC000348211867 373545602 /nfs/dbraw/zinc/54/56/02/373545602.db2.gz QBKSDIUNFFLLBS-WDEREUQCSA-N 0 3 260.290 -1.777 20 0 CAADHN CNC(=O)NCC(=O)N[C@H](CO)CN1CCCCC1 ZINC000348234812 373545742 /nfs/dbraw/zinc/54/57/42/373545742.db2.gz XKHGYFCVRJIGHB-JTQLQIEISA-N 0 3 272.349 -1.122 20 0 CAADHN COC[C@H](O)CN1CCC[C@H](CS(N)(=O)=O)C1 ZINC000348137890 373545897 /nfs/dbraw/zinc/54/58/97/373545897.db2.gz GUWGLBMYIFCEBE-VHSXEESVSA-N 0 3 266.363 -1.006 20 0 CAADHN NC(=O)N[C@@H](CO)C(=O)N[C@H](CO)CN1CCCCC1 ZINC000348230126 373546127 /nfs/dbraw/zinc/54/61/27/373546127.db2.gz LDGYJCCZRIXSPF-UWVGGRQHSA-N 0 3 288.348 -2.021 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CC[C@](O)(C(N)=O)C1 ZINC000348211864 373546469 /nfs/dbraw/zinc/54/64/69/373546469.db2.gz QBKSDIUNFFLLBS-GHMZBOCLSA-N 0 3 260.290 -1.777 20 0 CAADHN CC(C)COC[C@@H](O)CN1CC[C@@](O)(C(N)=O)C1 ZINC000348204469 373546538 /nfs/dbraw/zinc/54/65/38/373546538.db2.gz SVHGEPIRGBENQA-JQWIXIFHSA-N 0 3 260.334 -1.058 20 0 CAADHN CC(C)COC[C@H](O)CN1CC[C@@](O)(C(N)=O)C1 ZINC000348204470 373546617 /nfs/dbraw/zinc/54/66/17/373546617.db2.gz SVHGEPIRGBENQA-PWSUYJOCSA-N 0 3 260.334 -1.058 20 0 CAADHN CCOC(=O)[C@](C)(O)CN1CC[C@@](O)(C(N)=O)C1 ZINC000348211865 373546672 /nfs/dbraw/zinc/54/66/72/373546672.db2.gz QBKSDIUNFFLLBS-MNOVXSKESA-N 0 3 260.290 -1.777 20 0 CAADHN C[C@@H](C(=O)NC(=O)NC1CC1)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000582160125 373547527 /nfs/dbraw/zinc/54/75/27/373547527.db2.gz QZWAYBUPKCMZGG-LSJOCFKGSA-N 0 3 284.360 -1.030 20 0 CAADHN CNC(=O)CCN(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000367043575 373549951 /nfs/dbraw/zinc/54/99/51/373549951.db2.gz AMACIWQTGUJZKM-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CN1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](CN)C1 ZINC000583500570 373550598 /nfs/dbraw/zinc/55/05/98/373550598.db2.gz JAZLNGWKZSAEBL-VIFPVBQESA-N 0 3 281.316 -1.950 20 0 CAADHN CNC(=O)CCN(C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000367043576 373550624 /nfs/dbraw/zinc/55/06/24/373550624.db2.gz AMACIWQTGUJZKM-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN O=C(CCOC1CNC1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000348990682 373551345 /nfs/dbraw/zinc/55/13/45/373551345.db2.gz MNICAFPDDUOIRN-SECBINFHSA-N 0 3 268.317 -1.399 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CN(C)NC2=O)CC1=O ZINC000349696212 373553668 /nfs/dbraw/zinc/55/36/68/373553668.db2.gz QIAFZUJHVIXCCI-ZJUUUORDSA-N 0 3 297.359 -2.142 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@H]2CN(C)NC2=O)CC1=O ZINC000349696210 373554560 /nfs/dbraw/zinc/55/45/60/373554560.db2.gz QIAFZUJHVIXCCI-UWVGGRQHSA-N 0 3 297.359 -2.142 20 0 CAADHN CC(=O)NCCN(C)C[C@H](O)CN1CCOCC1 ZINC000583543457 373555787 /nfs/dbraw/zinc/55/57/87/373555787.db2.gz RCIJNTXWNXPBBD-LBPRGKRZSA-N 0 3 259.350 -1.253 20 0 CAADHN NC(=O)CCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000535717106 373558312 /nfs/dbraw/zinc/55/83/12/373558312.db2.gz LXEXCNYJFAAQMM-JTQLQIEISA-N 0 3 254.334 -1.242 20 0 CAADHN COCCN1CC[C@@H](NC(=O)NCCS(N)(=O)=O)C1 ZINC000349929644 373558334 /nfs/dbraw/zinc/55/83/34/373558334.db2.gz CGVSTNVJNQQMQG-SECBINFHSA-N 0 3 294.377 -1.705 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2CCCC2=O)C[C@@H]1O ZINC000583592619 373558427 /nfs/dbraw/zinc/55/84/27/373558427.db2.gz PWKNPXDSNYOPKY-UWVGGRQHSA-N 0 3 255.318 -1.258 20 0 CAADHN NC(=O)CCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000535717123 373558488 /nfs/dbraw/zinc/55/84/88/373558488.db2.gz LXEXCNYJFAAQMM-SNVBAGLBSA-N 0 3 254.334 -1.242 20 0 CAADHN NS(=O)(=O)CCCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000535716929 373558866 /nfs/dbraw/zinc/55/88/66/373558866.db2.gz GCWBYMOEBQKSHM-SNVBAGLBSA-N 0 3 290.389 -1.829 20 0 CAADHN C[C@H](CNC(=O)[C@H]1CN2CCN1CCC2)S(N)(=O)=O ZINC000535784835 373561590 /nfs/dbraw/zinc/56/15/90/373561590.db2.gz KTHSSHXNISNMKY-NXEZZACHSA-N 0 3 290.389 -1.831 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CN2CCN1CCC2)S(N)(=O)=O ZINC000535784843 373561812 /nfs/dbraw/zinc/56/18/12/373561812.db2.gz KTHSSHXNISNMKY-UWVGGRQHSA-N 0 3 290.389 -1.831 20 0 CAADHN NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CN2CCN1CCC2 ZINC000367166960 373561885 /nfs/dbraw/zinc/56/18/85/373561885.db2.gz BOGFCQMPJQEJSG-QWRGUYRKSA-N 0 3 266.345 -1.147 20 0 CAADHN CN(C)C(=O)C(C)(C)NCCN1C(=O)CNC1=O ZINC000114458343 373562088 /nfs/dbraw/zinc/56/20/88/373562088.db2.gz POXCAIIEDRQQFL-UHFFFAOYSA-N 0 3 256.306 -1.005 20 0 CAADHN CN(CCCN1CCN(C)CC1)c1nc(N)nc(N)n1 ZINC000623960033 373566188 /nfs/dbraw/zinc/56/61/88/373566188.db2.gz HRZKTWFNUYZTFE-UHFFFAOYSA-N 0 3 280.380 -1.230 20 0 CAADHN COC(=O)C[C@H]1CCCN1C(=O)C(=O)NC1CNC1 ZINC000520551198 373567966 /nfs/dbraw/zinc/56/79/66/373567966.db2.gz VUOYQNZTHWILEW-SECBINFHSA-N 0 3 269.301 -1.372 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2nc(C)oc2=O)C1 ZINC000639700019 373595865 /nfs/dbraw/zinc/59/58/65/373595865.db2.gz RPKIDVBLJNQOIJ-SNVBAGLBSA-N 0 3 284.316 -1.018 20 0 CAADHN CN(CC1CC1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000520565653 373568793 /nfs/dbraw/zinc/56/87/93/373568793.db2.gz SPZPKCVWDVITGE-NSHDSACASA-N 0 3 268.361 -1.044 20 0 CAADHN Cc1c(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)nnn1C ZINC000520426996 373569665 /nfs/dbraw/zinc/56/96/65/373569665.db2.gz XTZFJISNTBDVJM-IUCAKERBSA-N 0 3 253.306 -1.130 20 0 CAADHN O[C@@H]1COC[C@H]1N1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000520679691 373571883 /nfs/dbraw/zinc/57/18/83/373571883.db2.gz SOWAFVSDBXAHLM-UTUOFQBUSA-N 0 3 268.317 -1.135 20 0 CAADHN CCOCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000520612756 373572064 /nfs/dbraw/zinc/57/20/64/373572064.db2.gz SUIODIAZGCZBLX-NXEZZACHSA-N 0 3 270.333 -1.024 20 0 CAADHN CN(C[C@H](O)CN1CCO[C@H](C(N)=O)C1)C1CC1 ZINC000351438237 373572848 /nfs/dbraw/zinc/57/28/48/373572848.db2.gz DLPOANUIVLFARB-QWRGUYRKSA-N 0 3 257.334 -1.372 20 0 CAADHN O[C@@H]1COC[C@H]1N1CCC[C@](O)(Cn2ccnn2)C1 ZINC000520679688 373572940 /nfs/dbraw/zinc/57/29/40/373572940.db2.gz SOWAFVSDBXAHLM-IJLUTSLNSA-N 0 3 268.317 -1.135 20 0 CAADHN CNC(=O)[C@H]1CN(C[C@@H](O)CN(C)C2CC2)CCO1 ZINC000351611992 373576506 /nfs/dbraw/zinc/57/65/06/373576506.db2.gz UAGSBOPGXLJRPA-NWDGAFQWSA-N 0 3 271.361 -1.112 20 0 CAADHN CNC(=O)[C@H]1CN(C[C@H](O)CN(C)C2CC2)CCO1 ZINC000351611994 373576844 /nfs/dbraw/zinc/57/68/44/373576844.db2.gz UAGSBOPGXLJRPA-VXGBXAGGSA-N 0 3 271.361 -1.112 20 0 CAADHN CNS(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000351581059 373577315 /nfs/dbraw/zinc/57/73/15/373577315.db2.gz GAYAAERYJZTNLX-VIFPVBQESA-N 0 3 278.378 -1.372 20 0 CAADHN CNC(=O)[C@@H]1CN(C[C@@H](O)CN(C)C2CC2)CCO1 ZINC000351611993 373577492 /nfs/dbraw/zinc/57/74/92/373577492.db2.gz UAGSBOPGXLJRPA-RYUDHWBXSA-N 0 3 271.361 -1.112 20 0 CAADHN COCCOC[C@@H](O)CN1CCN(Cc2nnc[nH]2)CC1 ZINC000639720149 373596453 /nfs/dbraw/zinc/59/64/53/373596453.db2.gz CGGBAOZRGAAOLW-LBPRGKRZSA-N 0 3 299.375 -1.054 20 0 CAADHN Cn1nccc1S(=O)(=O)NC[C@@H]1CNCCO1 ZINC000129721562 373579127 /nfs/dbraw/zinc/57/91/27/373579127.db2.gz NGPYIVOTWKDADV-QMMMGPOBSA-N 0 3 260.319 -1.313 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)NC2CNC2)C[C@H](CO)O1 ZINC000582291323 373625063 /nfs/dbraw/zinc/62/50/63/373625063.db2.gz FCRHHSPRDDMYCR-IONNQARKSA-N 0 3 257.290 -2.317 20 0 CAADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](CN)OC)C1 ZINC000582358351 373627771 /nfs/dbraw/zinc/62/77/71/373627771.db2.gz SRIPPNJQXWVUSE-IUCAKERBSA-N 0 3 279.362 -1.500 20 0 CAADHN CCN(CCO)CCNC(=O)CN1CC(=O)N(C)C1=O ZINC000626485968 373628250 /nfs/dbraw/zinc/62/82/50/373628250.db2.gz WGXTYHNYNGMOEA-UHFFFAOYSA-N 0 3 286.332 -1.689 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCNC[C@@H]1C ZINC000582361038 373628348 /nfs/dbraw/zinc/62/83/48/373628348.db2.gz HFUZEWINJOTHPV-ONGXEEELSA-N 0 3 256.350 -1.094 20 0 CAADHN CC1(C)COCCN1CCNc1nc(N)nc(N)n1 ZINC000623936110 373630798 /nfs/dbraw/zinc/63/07/98/373630798.db2.gz CGYAYCZKXXQHKN-UHFFFAOYSA-N 0 3 267.337 -1.359 20 0 CAADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193005215 781961461 /nfs/dbraw/zinc/96/14/61/781961461.db2.gz JUVDAJHDVMVESN-GHMZBOCLSA-N 0 3 298.347 -1.739 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCNCCOC ZINC000582419478 373631048 /nfs/dbraw/zinc/63/10/48/373631048.db2.gz LTAPSIGKOWTXSK-UHFFFAOYSA-N 0 3 267.351 -1.722 20 0 CAADHN COCCOC[C@H](O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000582428147 373631473 /nfs/dbraw/zinc/63/14/73/373631473.db2.gz BHAKJRNGOVINJN-WOPDTQHZSA-N 0 3 262.350 -1.383 20 0 CAADHN Nc1nc(N)nc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000623937020 373634992 /nfs/dbraw/zinc/63/49/92/373634992.db2.gz RLTLDATWOCSVIM-BDAKNGLRSA-N 0 3 279.348 -1.268 20 0 CAADHN C[C@H](N)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000186665665 373636989 /nfs/dbraw/zinc/63/69/89/373636989.db2.gz QPZNUWWBYPPFNI-VHSXEESVSA-N 0 3 254.334 -1.244 20 0 CAADHN CNC(=O)[C@H](C)CN(C)CCCS(N)(=O)=O ZINC000176377670 373637053 /nfs/dbraw/zinc/63/70/53/373637053.db2.gz LLFBWRVEBSIDAZ-MRVPVSSYSA-N 0 3 251.352 -1.021 20 0 CAADHN CNC(=O)[C@@H](C)CN(C)CCCS(N)(=O)=O ZINC000176377656 373638320 /nfs/dbraw/zinc/63/83/20/373638320.db2.gz LLFBWRVEBSIDAZ-QMMMGPOBSA-N 0 3 251.352 -1.021 20 0 CAADHN CNS(=O)(=O)CCN1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639941806 373640188 /nfs/dbraw/zinc/64/01/88/373640188.db2.gz BGXRCNBODHDNQB-GHMZBOCLSA-N 0 3 289.357 -1.480 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)NCCN1CCCC1=O ZINC000583328093 373641142 /nfs/dbraw/zinc/64/11/42/373641142.db2.gz SKSOWUVGHZMTFB-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CN[C@@H](C)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000583822615 373641159 /nfs/dbraw/zinc/64/11/59/373641159.db2.gz RJGOHRNSWUCOOG-VIFPVBQESA-N 0 3 282.344 -1.456 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1(N2CCOCC2)CC1 ZINC000633074035 373641490 /nfs/dbraw/zinc/64/14/90/373641490.db2.gz ZUUQBIWZCJZEFR-NSHDSACASA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@]12CN(CCNS(C)(=O)=O)C[C@]1(C)C(=O)NC2=O ZINC000639945333 373642344 /nfs/dbraw/zinc/64/23/44/373642344.db2.gz JXAGFRGMSBKQDR-GHMZBOCLSA-N 0 3 289.357 -1.480 20 0 CAADHN C[C@]12CN(CC(=O)N3CCOCC3)C[C@@]1(C)C(=O)NC2=O ZINC000639952568 373642899 /nfs/dbraw/zinc/64/28/99/373642899.db2.gz UHAJKSOHQQPXBK-OKILXGFUSA-N 0 3 295.339 -1.170 20 0 CAADHN C[C@]12CN(CCNS(C)(=O)=O)C[C@@]1(C)C(=O)NC2=O ZINC000639945334 373643101 /nfs/dbraw/zinc/64/31/01/373643101.db2.gz JXAGFRGMSBKQDR-PHIMTYICSA-N 0 3 289.357 -1.480 20 0 CAADHN COC[C@](C)(CO)NC[C@@H](O)CN1CCOCC1 ZINC000639952737 373643341 /nfs/dbraw/zinc/64/33/41/373643341.db2.gz SFKSOVHGDOTPGP-NEPJUHHUSA-N 0 3 262.350 -1.334 20 0 CAADHN COC[C@](C)(CO)NCCN1C(=O)CN(C)C1=O ZINC000639958896 373643631 /nfs/dbraw/zinc/64/36/31/373643631.db2.gz XGKOQZPBDFEYAZ-NSHDSACASA-N 0 3 259.306 -1.133 20 0 CAADHN CCS(=O)(=O)NCCN[C@@](C)(CO)COC ZINC000639956126 373643936 /nfs/dbraw/zinc/64/39/36/373643936.db2.gz UQMXCWKGMQBESH-VIFPVBQESA-N 0 3 254.352 -1.087 20 0 CAADHN CCN1C(=O)[C@@H]2CN(CCC(=O)NC(N)=O)CCN2C1=O ZINC000610605706 373645038 /nfs/dbraw/zinc/64/50/38/373645038.db2.gz VTWBVOZLABEVGG-QMMMGPOBSA-N 0 3 297.315 -1.460 20 0 CAADHN CO[C@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000583866170 373646219 /nfs/dbraw/zinc/64/62/19/373646219.db2.gz ZKURLYZMDVEUJM-RYUDHWBXSA-N 0 3 298.387 -1.275 20 0 CAADHN CC(C)OC[C@@H](O)CNCCNS(C)(=O)=O ZINC000037891338 373647487 /nfs/dbraw/zinc/64/74/87/373647487.db2.gz NGIXNQYMSBSHIK-VIFPVBQESA-N 0 3 254.352 -1.089 20 0 CAADHN CCN1CCN(C(=O)C(=O)NC2CNC2)[C@@H](C)C1=O ZINC000584581004 373648117 /nfs/dbraw/zinc/64/81/17/373648117.db2.gz AQKZXPSVCUZZES-QMMMGPOBSA-N 0 3 268.317 -1.846 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC1CC1 ZINC000583868695 373648639 /nfs/dbraw/zinc/64/86/39/373648639.db2.gz IDFRVSVJSZGWNU-ONGXEEELSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](C)NC1CC1 ZINC000583868693 373648684 /nfs/dbraw/zinc/64/86/84/373648684.db2.gz IDFRVSVJSZGWNU-KOLCDFICSA-N 0 3 296.371 -1.020 20 0 CAADHN C[C@H]1CN(C(=O)NCC(=O)N2CCNCC2)[C@@H](C)CN1 ZINC000584710120 373651357 /nfs/dbraw/zinc/65/13/57/373651357.db2.gz JRTQFISIPLYLHH-QWRGUYRKSA-N 0 3 283.376 -1.190 20 0 CAADHN CC(C)[C@@H](N)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000584836829 373652500 /nfs/dbraw/zinc/65/25/00/373652500.db2.gz NYVXKEQYXCZVPK-LLVKDONJSA-N 0 3 256.350 -1.140 20 0 CAADHN CC[C@@H](COC)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000584770175 373653592 /nfs/dbraw/zinc/65/35/92/373653592.db2.gz YHFQMMOXEJJKNU-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN Cc1nn(CC(=O)NCCOCCN(C)C)c(=O)o1 ZINC000640090572 373653950 /nfs/dbraw/zinc/65/39/50/373653950.db2.gz UEUPATLDHBXNPE-UHFFFAOYSA-N 0 3 272.305 -1.161 20 0 CAADHN CC[C@H](COC)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000584770168 373654006 /nfs/dbraw/zinc/65/40/06/373654006.db2.gz YHFQMMOXEJJKNU-MNOVXSKESA-N 0 3 286.376 -1.371 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CCCO3)CCN2C1=O ZINC000584850717 373654906 /nfs/dbraw/zinc/65/49/06/373654906.db2.gz QKEFHBCZZLGYRC-BBBLOLIVSA-N 0 3 253.302 -1.064 20 0 CAADHN CN(C)c1ncc(CNc2nc(N)nc(N)n2)n1C ZINC000623967666 373598441 /nfs/dbraw/zinc/59/84/41/373598441.db2.gz FMZOJDPJHWEOQV-UHFFFAOYSA-N 0 3 263.309 -1.470 20 0 CAADHN Nc1ccncc1C(=O)NCC(=O)N1CCNCC1 ZINC000582241770 373600860 /nfs/dbraw/zinc/60/08/60/373600860.db2.gz JBYIFZRNZPZPKA-UHFFFAOYSA-N 0 3 263.301 -1.344 20 0 CAADHN C[C@@H]1NC(=O)N(CCN2[C@@H](CO)CC[C@@H]2CO)C1=O ZINC000639783457 373606051 /nfs/dbraw/zinc/60/60/51/373606051.db2.gz YHPZFULKLIXVQN-IVZWLZJFSA-N 0 3 271.317 -1.256 20 0 CAADHN CCOC(=O)CC[C@@H](O)CNCCNS(C)(=O)=O ZINC000385449226 373656132 /nfs/dbraw/zinc/65/61/32/373656132.db2.gz SLSKGGIPMZUPNZ-SECBINFHSA-N 0 3 282.362 -1.171 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623970614 373606644 /nfs/dbraw/zinc/60/66/44/373606644.db2.gz VXEJUUQMZVXVBH-ZCFIWIBFSA-N 0 3 287.349 -1.785 20 0 CAADHN CCN1CC[C@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC000355297773 373609545 /nfs/dbraw/zinc/60/95/45/373609545.db2.gz HLUZNRRCZQFJPI-VHSXEESVSA-N 0 3 270.333 -1.024 20 0 CAADHN Nc1nc(N)nc(N2CCC[C@@H](OCCO)C2)n1 ZINC000623974574 373612026 /nfs/dbraw/zinc/61/20/26/373612026.db2.gz ISLWRJRWAMXYLP-SSDOTTSWSA-N 0 3 254.294 -1.326 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@@H](O)C[C@]1(C)CO ZINC000639850730 373614307 /nfs/dbraw/zinc/61/43/07/373614307.db2.gz WUXUZMITAGIJCN-RWMBFGLXSA-N 0 3 276.377 -1.257 20 0 CAADHN C[C@]1(CO)C[C@H](O)CN1C[C@H](O)CN1CCOCC1 ZINC000639858048 373614729 /nfs/dbraw/zinc/61/47/29/373614729.db2.gz WZAIPCRQKURFCQ-YNEHKIRRSA-N 0 3 274.361 -1.503 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@@H](O)C[C@@]1(C)CO ZINC000639850726 373615238 /nfs/dbraw/zinc/61/52/38/373615238.db2.gz WUXUZMITAGIJCN-AVGNSLFASA-N 0 3 276.377 -1.257 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@H](O)C[C@@]1(C)CO ZINC000639850724 373615361 /nfs/dbraw/zinc/61/53/61/373615361.db2.gz WUXUZMITAGIJCN-AGIUHOORSA-N 0 3 276.377 -1.257 20 0 CAADHN CNS(=O)(=O)CCCN1C[C@@H](O)C[C@@]1(C)CO ZINC000639852957 373616000 /nfs/dbraw/zinc/61/60/00/373616000.db2.gz WSYAHLADSKJRMZ-UWVGGRQHSA-N 0 3 266.363 -1.257 20 0 CAADHN C[C@]1(CO)C[C@@H](O)CN1C[C@H](O)CN1CCOCC1 ZINC000639858044 373616476 /nfs/dbraw/zinc/61/64/76/373616476.db2.gz WZAIPCRQKURFCQ-JHJVBQTASA-N 0 3 274.361 -1.503 20 0 CAADHN C[C@H](CNC(=O)CN1CC(=O)N(C)C1=O)N(C)C ZINC000623976123 373617556 /nfs/dbraw/zinc/61/75/56/373617556.db2.gz ZFTYHPQZJSSMPO-MRVPVSSYSA-N 0 3 256.306 -1.053 20 0 CAADHN Nc1nc(N)nc(NCCCN2CCCS2(=O)=O)n1 ZINC000623927916 373617649 /nfs/dbraw/zinc/61/76/49/373617649.db2.gz YVDZJWXTFMKWBQ-UHFFFAOYSA-N 0 3 287.349 -2.044 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000612871212 373711232 /nfs/dbraw/zinc/71/12/32/373711232.db2.gz LUELXXQGCNGHIA-GZMMTYOYSA-N 0 3 258.322 -1.561 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000612871214 373712559 /nfs/dbraw/zinc/71/25/59/373712559.db2.gz LUELXXQGCNGHIA-KWQFWETISA-N 0 3 258.322 -1.561 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)c1nc2n(n1)CCCN2 ZINC000612872309 373713469 /nfs/dbraw/zinc/71/34/69/373713469.db2.gz VPSVAWMGYHHIAI-GFCCVEGCSA-N 0 3 282.348 -1.606 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)C1(n2cnnn2)CC1 ZINC000612871833 373713640 /nfs/dbraw/zinc/71/36/40/373713640.db2.gz QVBDKMPMSOXKQN-SNVBAGLBSA-N 0 3 268.321 -1.409 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1C[C@H](O)[C@@H](O)C1 ZINC000628526330 373716092 /nfs/dbraw/zinc/71/60/92/373716092.db2.gz VYXKQTGMFVRCBW-VWYCJHECSA-N 0 3 255.318 -2.060 20 0 CAADHN CN1CCN(S(=O)(=O)c2c[nH]cn2)[C@H](CN)C1 ZINC000122691642 373716654 /nfs/dbraw/zinc/71/66/54/373716654.db2.gz POFGTWNBCNRJRY-MRVPVSSYSA-N 0 3 259.335 -1.327 20 0 CAADHN COC[C@H](CCO)NC[C@@H](O)CN1CCOCC1 ZINC000228349827 373660973 /nfs/dbraw/zinc/66/09/73/373660973.db2.gz WOOAIZOXIRHBQG-NWDGAFQWSA-N 0 3 262.350 -1.334 20 0 CAADHN NC(=O)[C@H](O)CNC[C@H](O)COc1ccccc1 ZINC000228689815 373662859 /nfs/dbraw/zinc/66/28/59/373662859.db2.gz WYAJYBXPVHOGKE-GXSJLCMTSA-N 0 3 254.286 -1.138 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CN2CCOCC2)C1=O ZINC000230264747 373663155 /nfs/dbraw/zinc/66/31/55/373663155.db2.gz BVKPSIULAUMEQW-MNOVXSKESA-N 0 3 257.334 -1.500 20 0 CAADHN NC(=O)[C@H](O)CNC[C@H](O)COCc1ccccc1 ZINC000228688908 373663507 /nfs/dbraw/zinc/66/35/07/373663507.db2.gz JHDNXOQZMPIMRX-NWDGAFQWSA-N 0 3 268.313 -1.000 20 0 CAADHN NC(=O)[C@H](O)CNC[C@@H](O)COCc1ccccc1 ZINC000228688891 373664044 /nfs/dbraw/zinc/66/40/44/373664044.db2.gz JHDNXOQZMPIMRX-VXGBXAGGSA-N 0 3 268.313 -1.000 20 0 CAADHN CC(C)CN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000580413867 373665699 /nfs/dbraw/zinc/66/56/99/373665699.db2.gz SCVLSTSTCIHRKZ-UHFFFAOYSA-N 0 3 268.361 -1.125 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000419190887 373670682 /nfs/dbraw/zinc/67/06/82/373670682.db2.gz MCLICBLXUJJVBW-IUCAKERBSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000420033620 373673803 /nfs/dbraw/zinc/67/38/03/373673803.db2.gz WCXFTPHYBNPFQY-LPEHRKFASA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420061425 373674465 /nfs/dbraw/zinc/67/44/65/373674465.db2.gz LMLZGFVRNDQQPE-PSASIEDQSA-N 0 3 282.344 -1.471 20 0 CAADHN NC(=O)NC(=O)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000611211941 373675493 /nfs/dbraw/zinc/67/54/93/373675493.db2.gz VWCJIXVGGPOAJC-SECBINFHSA-N 0 3 283.332 -1.923 20 0 CAADHN COC(=O)[C@@H](O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000611218251 373676006 /nfs/dbraw/zinc/67/60/06/373676006.db2.gz SDRYGKAEBNPAHQ-ZJUUUORDSA-N 0 3 271.317 -1.974 20 0 CAADHN C[C@H]([C@H](C)Nc1nc(N)nc(N)n1)N1CCOCC1 ZINC000623942763 373676561 /nfs/dbraw/zinc/67/65/61/373676561.db2.gz SIBTVCUYCVXQRU-JGVFFNPUSA-N 0 3 267.337 -1.360 20 0 CAADHN NC(=O)NC(=O)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000611211947 373676737 /nfs/dbraw/zinc/67/67/37/373676737.db2.gz VWCJIXVGGPOAJC-VIFPVBQESA-N 0 3 283.332 -1.923 20 0 CAADHN CCOC[C@H](C)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000571866783 373678230 /nfs/dbraw/zinc/67/82/30/373678230.db2.gz COIVQEXCNSQOMX-WDEREUQCSA-N 0 3 286.376 -1.371 20 0 CAADHN CN(C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)C1 ZINC000626677601 373678307 /nfs/dbraw/zinc/67/83/07/373678307.db2.gz MVCOPTXSNWVIGD-SUNKGSAMSA-N 0 3 299.371 -1.066 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000571835444 373678408 /nfs/dbraw/zinc/67/84/08/373678408.db2.gz WMPLXESYHPFSAR-VIFPVBQESA-N 0 3 272.349 -1.353 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC000571848483 373678762 /nfs/dbraw/zinc/67/87/62/373678762.db2.gz GBSATAWECYTPQE-GFCCVEGCSA-N 0 3 276.300 -1.079 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CNC[C@H](O)CO)C[C@H](C)O1 ZINC000571869825 373678989 /nfs/dbraw/zinc/67/89/89/373678989.db2.gz UBOGGBLCCQXXLL-KXNHARMFSA-N 0 3 262.350 -1.601 20 0 CAADHN COC[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)C(=O)OC ZINC000611507745 373682776 /nfs/dbraw/zinc/68/27/76/373682776.db2.gz XDXIMMVCFORGJF-MNOVXSKESA-N 0 3 285.344 -1.320 20 0 CAADHN CC(C)(C)C(=O)N1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000572348213 373682796 /nfs/dbraw/zinc/68/27/96/373682796.db2.gz YYODUGZLKPTUTF-UHFFFAOYSA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)CCN(C)C(=O)c1nc2n(n1)CCCN2 ZINC000611827470 373685559 /nfs/dbraw/zinc/68/55/59/373685559.db2.gz VOMIRUPATBPHRH-UHFFFAOYSA-N 0 3 252.322 -1.015 20 0 CAADHN C[C@H]1CCN(CCNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000611748843 373686162 /nfs/dbraw/zinc/68/61/62/373686162.db2.gz BXZCQJTUEITMBK-JTQLQIEISA-N 0 3 292.405 -1.160 20 0 CAADHN CCOC(=O)[C@@H](CO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000611863042 373687978 /nfs/dbraw/zinc/68/79/78/373687978.db2.gz SKNZCSKCAWELDN-GHMZBOCLSA-N 0 3 285.344 -1.584 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCNCC1 ZINC000423731343 373693553 /nfs/dbraw/zinc/69/35/53/373693553.db2.gz XTRRLUKBLSEHRP-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CC(=O)N1 ZINC000423586449 373693969 /nfs/dbraw/zinc/69/39/69/373693969.db2.gz BGVUKJPEXAEWOX-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CC(=O)N1 ZINC000423586446 373694132 /nfs/dbraw/zinc/69/41/32/373694132.db2.gz BGVUKJPEXAEWOX-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N(C)CCN)C[C@H](C)N1C ZINC000423713755 373694164 /nfs/dbraw/zinc/69/41/64/373694164.db2.gz WGSMCVCITDRMHG-AOOOYVTPSA-N 0 3 256.350 -1.046 20 0 CAADHN COC1CCN(CCNC(=O)[C@@H]2CC(=O)NC(=O)N2)CC1 ZINC000612058374 373696354 /nfs/dbraw/zinc/69/63/54/373696354.db2.gz YMZBMULEUOAVNA-JTQLQIEISA-N 0 3 298.343 -1.189 20 0 CAADHN CCN1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000612214118 373698122 /nfs/dbraw/zinc/69/81/22/373698122.db2.gz KOQACHGRKTUSEQ-NXEZZACHSA-N 0 3 292.405 -1.161 20 0 CAADHN CCN1C[C@H](C)[C@H](NC(=O)CNS(=O)(=O)N(C)C)C1 ZINC000612214122 373698225 /nfs/dbraw/zinc/69/82/25/373698225.db2.gz KOQACHGRKTUSEQ-VHSXEESVSA-N 0 3 292.405 -1.161 20 0 CAADHN N[C@@H](Cc1ccccc1)C(=O)NCCS(N)(=O)=O ZINC000036745828 373699223 /nfs/dbraw/zinc/69/92/23/373699223.db2.gz QRMYEOLSUMFVDN-JTQLQIEISA-N 0 3 271.342 -1.039 20 0 CAADHN CN(C)CCN1CCN(C(=O)Cc2nnc[nH]2)CC1=O ZINC000633567414 373700394 /nfs/dbraw/zinc/70/03/94/373700394.db2.gz QGDIBALBKIESCF-UHFFFAOYSA-N 0 3 280.332 -1.420 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000612302938 373700447 /nfs/dbraw/zinc/70/04/47/373700447.db2.gz DGCLRUDUGNGURW-LXOGICJWSA-N 0 3 296.367 -1.002 20 0 CAADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000612302940 373700740 /nfs/dbraw/zinc/70/07/40/373700740.db2.gz DGCLRUDUGNGURW-RDSIVUJASA-N 0 3 296.367 -1.002 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)C1 ZINC000612541107 373704313 /nfs/dbraw/zinc/70/43/13/373704313.db2.gz BWUJIUJQHYCACO-WOPDTQHZSA-N 0 3 299.371 -1.602 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000612522731 373704380 /nfs/dbraw/zinc/70/43/80/373704380.db2.gz KZWIZCMKEPDBOF-GHMZBOCLSA-N 0 3 294.355 -1.360 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000612522735 373704590 /nfs/dbraw/zinc/70/45/90/373704590.db2.gz KZWIZCMKEPDBOF-WDEREUQCSA-N 0 3 294.355 -1.360 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CCNC2=O)C1 ZINC000612542477 373704872 /nfs/dbraw/zinc/70/48/72/373704872.db2.gz IVIASEIQXCJDDM-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H](CO)[C@H](O)C2)C1 ZINC000612541100 373704979 /nfs/dbraw/zinc/70/49/79/373704979.db2.gz BWUJIUJQHYCACO-GRYCIOLGSA-N 0 3 299.371 -1.602 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N2CCNC(=O)[C@@H]2C)C1 ZINC000612548167 373705013 /nfs/dbraw/zinc/70/50/13/373705013.db2.gz LHRZZEKGXXSDLW-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N2CCNC(=O)[C@H]2C)C1 ZINC000612548165 373705150 /nfs/dbraw/zinc/70/51/50/373705150.db2.gz LHRZZEKGXXSDLW-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)C1 ZINC000612541105 373705534 /nfs/dbraw/zinc/70/55/34/373705534.db2.gz BWUJIUJQHYCACO-SDDRHHMPSA-N 0 3 299.371 -1.602 20 0 CAADHN O=C(NC[C@@H](O)CN1CCCCC1)[C@H]1CC(=O)N1 ZINC000612659272 373706985 /nfs/dbraw/zinc/70/69/85/373706985.db2.gz NQZSPDPBVNMIRR-NXEZZACHSA-N 0 3 255.318 -1.162 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H](O)CN2CCCCC2)NC1=O ZINC000612657922 373708221 /nfs/dbraw/zinc/70/82/21/373708221.db2.gz DNZBHNGFXTVUEJ-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN CC[C@H](C(=O)NC1CN(S(=O)(=O)N(C)C)C1)N(C)C ZINC000629534179 373771691 /nfs/dbraw/zinc/77/16/91/373771691.db2.gz PEXZGMIEMAHYCJ-SNVBAGLBSA-N 0 3 292.405 -1.067 20 0 CAADHN CC[C@@H](C(=O)NC1CN(S(=O)(=O)N(C)C)C1)N(C)C ZINC000629534178 373772254 /nfs/dbraw/zinc/77/22/54/373772254.db2.gz PEXZGMIEMAHYCJ-JTQLQIEISA-N 0 3 292.405 -1.067 20 0 CAADHN CNC(=O)N1CCN(C[C@H](O)CN(C)CCOC)CC1 ZINC000574999169 373773144 /nfs/dbraw/zinc/77/31/44/373773144.db2.gz YJQOKAUMXFBRPC-GFCCVEGCSA-N 0 3 288.392 -1.118 20 0 CAADHN CNC(=O)N1CCN(C[C@@H](O)CN(C)CCOC)CC1 ZINC000574999170 373774130 /nfs/dbraw/zinc/77/41/30/373774130.db2.gz YJQOKAUMXFBRPC-LBPRGKRZSA-N 0 3 288.392 -1.118 20 0 CAADHN CNS(=O)(=O)CCNC[C@H](O)CN(C)C1CC1 ZINC000515639295 373723090 /nfs/dbraw/zinc/72/30/90/373723090.db2.gz DXDXGEKCXFCJNU-JTQLQIEISA-N 0 3 265.379 -1.420 20 0 CAADHN N[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCC1 ZINC000515171623 373724471 /nfs/dbraw/zinc/72/44/71/373724471.db2.gz SOEDSSVLIRDXBE-GMTAPVOTSA-N 0 3 266.345 -1.116 20 0 CAADHN CNS(=O)(=O)CCNC[C@@H](O)CN(C)C1CC1 ZINC000515639296 373724627 /nfs/dbraw/zinc/72/46/27/373724627.db2.gz DXDXGEKCXFCJNU-SNVBAGLBSA-N 0 3 265.379 -1.420 20 0 CAADHN NS(=O)(=O)C[C@H]1CCCN1C(=O)CCOC1CNC1 ZINC000515645088 373724643 /nfs/dbraw/zinc/72/46/43/373724643.db2.gz QLUNPVUTOJZKRE-SECBINFHSA-N 0 3 291.373 -1.356 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001193004893 781962186 /nfs/dbraw/zinc/96/21/86/781962186.db2.gz DGUJXVIWNZKJRR-NXEZZACHSA-N 0 3 284.320 -2.129 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C(=O)N1CCCNCC1 ZINC000627468531 373728330 /nfs/dbraw/zinc/72/83/30/373728330.db2.gz XUGKHJKLZDXCFD-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN CNC(=O)NCCNS(=O)(=O)CCCN(C)C ZINC000632468780 373731282 /nfs/dbraw/zinc/73/12/82/373731282.db2.gz FRWSGJMSLLKMIU-UHFFFAOYSA-N 0 3 266.367 -1.214 20 0 CAADHN [NH3+]C[C@H]1CCC[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000429176959 373734771 /nfs/dbraw/zinc/73/47/71/373734771.db2.gz PZZFOMHNRHRQRD-HTQZYQBOSA-N 0 3 254.290 -1.218 20 0 CAADHN O=C(COC1CNC1)NCCN1CCCS1(=O)=O ZINC000430260173 373738741 /nfs/dbraw/zinc/73/87/41/373738741.db2.gz RZDOPGCYZOFWEH-UHFFFAOYSA-N 0 3 277.346 -1.874 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)C1(n2cnnn2)CC1 ZINC000640318315 373738855 /nfs/dbraw/zinc/73/88/55/373738855.db2.gz KUJKGTOWHKEBFI-JTQLQIEISA-N 0 3 280.332 -1.265 20 0 CAADHN Cc1nn(CC(=O)N[C@H](CO)CN2CCCC2)c(=O)n1C ZINC000640320155 373739032 /nfs/dbraw/zinc/73/90/32/373739032.db2.gz MCNNONQJFRNYDA-NSHDSACASA-N 0 3 297.359 -1.537 20 0 CAADHN Cc1nn(CC(=O)N[C@@H](CO)CN2CCCC2)c(=O)n1C ZINC000640320154 373739132 /nfs/dbraw/zinc/73/91/32/373739132.db2.gz MCNNONQJFRNYDA-LLVKDONJSA-N 0 3 297.359 -1.537 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)NC[C@H]1CCCN1C ZINC000628648086 373739535 /nfs/dbraw/zinc/73/95/35/373739535.db2.gz YPVKUEVEIOVSAJ-SECBINFHSA-N 0 3 278.378 -1.407 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)COC1CNC1 ZINC000430425065 373739580 /nfs/dbraw/zinc/73/95/80/373739580.db2.gz KJXVEJRZACSEMN-VIFPVBQESA-N 0 3 291.373 -1.485 20 0 CAADHN NCC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000430760698 373739732 /nfs/dbraw/zinc/73/97/32/373739732.db2.gz IHLJUMUGCNVDOP-UHFFFAOYSA-N 0 3 263.301 -1.212 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCS(=O)(=O)N1 ZINC000640320421 373739843 /nfs/dbraw/zinc/73/98/43/373739843.db2.gz QWHOWUXJKCXALO-UWVGGRQHSA-N 0 3 291.373 -1.749 20 0 CAADHN CS(=O)(=O)NCCCNC(=O)CNC[C@@H]1CCCO1 ZINC000430209457 373740146 /nfs/dbraw/zinc/74/01/46/373740146.db2.gz YABZXYSINGSMGV-JTQLQIEISA-N 0 3 293.389 -1.190 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CCS(=O)(=O)N1 ZINC000640320420 373740183 /nfs/dbraw/zinc/74/01/83/373740183.db2.gz QWHOWUXJKCXALO-NXEZZACHSA-N 0 3 291.373 -1.749 20 0 CAADHN C[C@@H](CN1CCOCC1)NC(=O)COC1CNC1 ZINC000430756999 373740260 /nfs/dbraw/zinc/74/02/60/373740260.db2.gz DSZJMXCSMZOWQD-JTQLQIEISA-N 0 3 257.334 -1.188 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000628648474 373740274 /nfs/dbraw/zinc/74/02/74/373740274.db2.gz TXELZUAVBFOWKY-RKDXNWHRSA-N 0 3 261.347 -1.112 20 0 CAADHN Cn1cc(C[C@@H](O)C(=O)N[C@H](CO)CN2CCCC2)cn1 ZINC000640322018 373741511 /nfs/dbraw/zinc/74/15/11/373741511.db2.gz NXPIEOPOHPAOAZ-QWHCGFSZSA-N 0 3 296.371 -1.104 20 0 CAADHN NC(=O)[C@H]1C[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000628777379 373741766 /nfs/dbraw/zinc/74/17/66/373741766.db2.gz KDTHRXYSPNQCBZ-DCAQKATOSA-N 0 3 266.345 -1.244 20 0 CAADHN Cn1cc(C[C@@H](O)C(=O)N[C@@H](CO)CN2CCCC2)cn1 ZINC000640322015 373742032 /nfs/dbraw/zinc/74/20/32/373742032.db2.gz NXPIEOPOHPAOAZ-CHWSQXEVSA-N 0 3 296.371 -1.104 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000448959894 373775355 /nfs/dbraw/zinc/77/53/55/373775355.db2.gz ITCFCULAKJGHDI-JTQLQIEISA-N 0 3 290.389 -1.265 20 0 CAADHN CC(C(=O)N1CC(NS(C)(=O)=O)C1)S(C)(=O)=O ZINC000628801038 373746858 /nfs/dbraw/zinc/74/68/58/373746858.db2.gz OLXFMZFZKWPUEB-LURJTMIESA-N 0 3 284.359 -1.821 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000628917003 373751702 /nfs/dbraw/zinc/75/17/02/373751702.db2.gz IPGOMKTYWNQWAC-QWHCGFSZSA-N 0 3 282.388 -1.177 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CN2CCN1CCC2 ZINC000640324184 373753887 /nfs/dbraw/zinc/75/38/87/373753887.db2.gz ZDBLMHWRBNNBAN-KBPBESRZSA-N 0 3 296.415 -1.051 20 0 CAADHN O=C(CN1CCCNC1=O)N[C@@H](CO)CN1CCCC1 ZINC000640324474 373754215 /nfs/dbraw/zinc/75/42/15/373754215.db2.gz HUGUPEOPULFBCX-LLVKDONJSA-N 0 3 284.360 -1.025 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@H]1CN2CCN1CCC2 ZINC000640324197 373754420 /nfs/dbraw/zinc/75/44/20/373754420.db2.gz ZDBLMHWRBNNBAN-ZIAGYGMSSA-N 0 3 296.415 -1.051 20 0 CAADHN CCN1CCN(CC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000629174376 373758230 /nfs/dbraw/zinc/75/82/30/373758230.db2.gz XOGACFOEMKPUNK-CYBMUJFWSA-N 0 3 284.404 -1.193 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000629172296 373759078 /nfs/dbraw/zinc/75/90/78/373759078.db2.gz CLZPPKYYAVEWRX-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN O=C(N1CCNCC1)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000629546118 373776146 /nfs/dbraw/zinc/77/61/46/373776146.db2.gz NEKREGWLAXMGJN-CYBMUJFWSA-N 0 3 297.403 -1.382 20 0 CAADHN O=C(N[C@@H]1CCOC[C@H]1O)[C@@H]1CN2CCN1CCC2 ZINC000629247015 373763123 /nfs/dbraw/zinc/76/31/23/373763123.db2.gz VXGWZXFXZWAOTN-GRYCIOLGSA-N 0 3 269.345 -1.358 20 0 CAADHN NC(=O)C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1 ZINC000629395689 373767372 /nfs/dbraw/zinc/76/73/72/373767372.db2.gz PUAWYRJALIMYTO-NEPJUHHUSA-N 0 3 296.371 -1.521 20 0 CAADHN Cn1nnn(CC(=O)NC2CCN(C3CC3)CC2)c1=O ZINC000641516394 373805940 /nfs/dbraw/zinc/80/59/40/373805940.db2.gz CQLFVRMEDMHERC-UHFFFAOYSA-N 0 3 280.332 -1.280 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1C[C@H]2C[C@@]2(O)C1 ZINC000641577873 373807744 /nfs/dbraw/zinc/80/77/44/373807744.db2.gz HAPSFGBYBUXXAG-NTZNESFSSA-N 0 3 251.330 -1.031 20 0 CAADHN CN(C)[C@H]1CN(c2cc(C(N)=O)ncn2)C[C@@H]1O ZINC000641623002 373810265 /nfs/dbraw/zinc/81/02/65/373810265.db2.gz PBMVMKLEXKPEJW-IUCAKERBSA-N 0 3 251.290 -1.313 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C[C@H]1CCC2(CNC2)O1 ZINC000641804380 373815161 /nfs/dbraw/zinc/81/51/61/373815161.db2.gz ICAHYXBCILWKEF-ZJUUUORDSA-N 0 3 257.334 -1.061 20 0 CAADHN OCCN(CCO)C[C@H](O)COC[C@@H]1CCCO1 ZINC000641939831 373817049 /nfs/dbraw/zinc/81/70/49/373817049.db2.gz IKVQAPSWWKDVFO-RYUDHWBXSA-N 0 3 263.334 -1.171 20 0 CAADHN OCCN(CCO)C[C@@H](O)COC[C@H]1CCCO1 ZINC000641939832 373817087 /nfs/dbraw/zinc/81/70/87/373817087.db2.gz IKVQAPSWWKDVFO-VXGBXAGGSA-N 0 3 263.334 -1.171 20 0 CAADHN CCOC(=O)NCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000495443082 373818072 /nfs/dbraw/zinc/81/80/72/373818072.db2.gz PAGQCXXJRCEEEP-NSHDSACASA-N 0 3 259.306 -1.085 20 0 CAADHN CC[C@@H](N)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000152925730 373819202 /nfs/dbraw/zinc/81/92/02/373819202.db2.gz SUKOEPBWOAZQJX-WDEREUQCSA-N 0 3 259.350 -1.125 20 0 CAADHN CN1CCN(S(=O)(=O)C[C@H]2CNCCO2)[C@@H](CN)C1 ZINC000631907273 373820630 /nfs/dbraw/zinc/82/06/30/373820630.db2.gz HMUOBYCZSVOOLZ-WDEREUQCSA-N 0 3 292.405 -2.121 20 0 CAADHN O=C1C[C@@H](S(=O)(=O)NC2CNC2)CN1C1CC1 ZINC000631904609 373821403 /nfs/dbraw/zinc/82/14/03/373821403.db2.gz SVMYGIBCSHERBA-SECBINFHSA-N 0 3 259.331 -1.359 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C[C@@H]2CNCCO2)C[C@@H](C)N1 ZINC000631904518 373821584 /nfs/dbraw/zinc/82/15/84/373821584.db2.gz PYCUPKHFLSQMRE-MXWKQRLJSA-N 0 3 277.390 -1.013 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C[C@H]2CNCCO2)C[C@@H](C)N1 ZINC000631904517 373821637 /nfs/dbraw/zinc/82/16/37/373821637.db2.gz PYCUPKHFLSQMRE-GMTAPVOTSA-N 0 3 277.390 -1.013 20 0 CAADHN CN(C)C1(CNS(=O)(=O)C[C@@H]2CNCCO2)CC1 ZINC000397954893 373822336 /nfs/dbraw/zinc/82/23/36/373822336.db2.gz BOCWORQLVLYHKT-JTQLQIEISA-N 0 3 277.390 -1.012 20 0 CAADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NC2CNC2)C1 ZINC000642222638 373823522 /nfs/dbraw/zinc/82/35/22/373823522.db2.gz LFKTVJICVRIZTN-LBPRGKRZSA-N 0 3 298.387 -1.453 20 0 CAADHN CCN1C[C@@H](S(=O)(=O)NCCNCCOC)CC1=O ZINC000631934045 373823571 /nfs/dbraw/zinc/82/35/71/373823571.db2.gz ZMZLWFXUKIQBCB-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CCOC(=O)C[C@@H](O)CN1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000386899501 373827528 /nfs/dbraw/zinc/82/75/28/373827528.db2.gz AYBIJPYZLPTMNB-HLTSFMKQSA-N 0 3 270.285 -1.495 20 0 CAADHN COCCN(C)CCNC(=O)NC[C@H]1COCCN1 ZINC000626965359 373827921 /nfs/dbraw/zinc/82/79/21/373827921.db2.gz AYZQLLBJYBRJDG-NSHDSACASA-N 0 3 274.365 -1.148 20 0 CAADHN CN(C)CCOCCNC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000613284799 373827967 /nfs/dbraw/zinc/82/79/67/373827967.db2.gz ISOYNVBFUNCYNG-SNVBAGLBSA-N 0 3 296.375 -1.095 20 0 CAADHN C[C@H](CN1CCN(C)CC1)NC(=O)NC[C@H]1COCCN1 ZINC000626972926 373828276 /nfs/dbraw/zinc/82/82/76/373828276.db2.gz RDACCWVTNJHDSP-OLZOCXBDSA-N 0 3 299.419 -1.090 20 0 CAADHN CN(C)CCOCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000613286441 373828745 /nfs/dbraw/zinc/82/87/45/373828745.db2.gz XSMOFSCJUGZEEE-VIFPVBQESA-N 0 3 258.322 -1.296 20 0 CAADHN CN(C)CCOCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000613283939 373828892 /nfs/dbraw/zinc/82/88/92/373828892.db2.gz BMOSBMZABKTCGM-QMMMGPOBSA-N 0 3 272.305 -1.721 20 0 CAADHN CN(CCCN(C)[C@@H]1COC[C@H]1O)[C@@H]1COC[C@H]1O ZINC000512165484 373829132 /nfs/dbraw/zinc/82/91/32/373829132.db2.gz LFDXMQCTWJRKMZ-FDYHWXHSSA-N 0 3 274.361 -1.241 20 0 CAADHN CN1C[C@@H](C(=O)NC2(CCO)CCN(C)CC2)NC1=O ZINC000613299464 373830013 /nfs/dbraw/zinc/83/00/13/373830013.db2.gz CLGZFDHIAKQGIY-JTQLQIEISA-N 0 3 284.360 -1.027 20 0 CAADHN CN(C)CCOCCNC(=O)NC[C@H]1COCCN1 ZINC000627018912 373832078 /nfs/dbraw/zinc/83/20/78/373832078.db2.gz JHUMXXIRLULWSW-NSHDSACASA-N 0 3 274.365 -1.148 20 0 CAADHN CN1CCOC[C@H]1CNC[C@@H](O)CN1CCOCC1 ZINC000629599259 373778732 /nfs/dbraw/zinc/77/87/32/373778732.db2.gz AWXPXMINSCLAOC-CHWSQXEVSA-N 0 3 273.377 -1.400 20 0 CAADHN CN1CCC[C@H]1CNC(=O)NCC(=O)N1CCNCC1 ZINC000627066661 373836972 /nfs/dbraw/zinc/83/69/72/373836972.db2.gz VNUIRYVLLLQCSR-NSHDSACASA-N 0 3 283.376 -1.188 20 0 CAADHN CS(=O)(=O)NC[C@H]1COCCN1C[C@@H]1CNCCO1 ZINC000629585717 373779523 /nfs/dbraw/zinc/77/95/23/373779523.db2.gz CYEJEKOACMLPDJ-QWRGUYRKSA-N 0 3 293.389 -1.775 20 0 CAADHN COCCNCC(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000629606869 373780796 /nfs/dbraw/zinc/78/07/96/373780796.db2.gz NUSSSBRVSXQVPT-GFCCVEGCSA-N 0 3 289.376 -1.626 20 0 CAADHN CC[C@@H](C(=O)NCC(=O)N1CCNCC1)N(C)C ZINC000629614845 373781321 /nfs/dbraw/zinc/78/13/21/373781321.db2.gz OHMGWVYUMVWTGF-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN CC[C@H](C(=O)NCC(=O)N1CCNCC1)N(C)C ZINC000629614846 373782144 /nfs/dbraw/zinc/78/21/44/373782144.db2.gz OHMGWVYUMVWTGF-SNVBAGLBSA-N 0 3 256.350 -1.125 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)CCN1CCOCC1 ZINC000629795179 373783251 /nfs/dbraw/zinc/78/32/51/373783251.db2.gz HNTBJSDZVRTBEK-UHFFFAOYSA-N 0 3 286.376 -1.416 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000629794084 373783303 /nfs/dbraw/zinc/78/33/03/373783303.db2.gz LRARBGCEURETCD-QMMMGPOBSA-N 0 3 256.306 -1.860 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000629797524 373783324 /nfs/dbraw/zinc/78/33/24/373783324.db2.gz PYTNELVSINTQGY-VIFPVBQESA-N 0 3 293.389 -1.315 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC000629793808 373783778 /nfs/dbraw/zinc/78/37/78/373783778.db2.gz IUHZXLFMJYDRDX-QMMMGPOBSA-N 0 3 272.305 -2.494 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)CCNC(=O)N(C)C ZINC000629801116 373785689 /nfs/dbraw/zinc/78/56/89/373785689.db2.gz BQHFRRQHFNBSSE-UHFFFAOYSA-N 0 3 287.364 -1.477 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCn2cnnc2[C@@H]1C ZINC000629802242 373785894 /nfs/dbraw/zinc/78/58/94/373785894.db2.gz GSMGPMWJPKBQCW-VIFPVBQESA-N 0 3 280.332 -1.012 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN(C(C)C)C(=O)C1 ZINC000629799016 373786390 /nfs/dbraw/zinc/78/63/90/373786390.db2.gz XJZCAEDIKQBSFT-UHFFFAOYSA-N 0 3 284.360 -1.127 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000629805227 373786715 /nfs/dbraw/zinc/78/67/15/373786715.db2.gz LJIRYFJYOZOMBP-LBPRGKRZSA-N 0 3 298.387 -1.273 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN(C(C)=O)C[C@@H]1C ZINC000629798655 373786937 /nfs/dbraw/zinc/78/69/37/373786937.db2.gz VBISWPUTHNJIBJ-JTQLQIEISA-N 0 3 284.360 -1.127 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1C[C@@H](C)O[C@@H](CO)C1 ZINC000629805346 373786969 /nfs/dbraw/zinc/78/69/69/373786969.db2.gz YISYOSQMYCFAOS-NXEZZACHSA-N 0 3 273.333 -1.598 20 0 CAADHN CCN(CCN)C(=O)C(=O)N(C)CCOCCO ZINC000629801260 373787063 /nfs/dbraw/zinc/78/70/63/373787063.db2.gz IYFBFTHLMLBLBN-UHFFFAOYSA-N 0 3 261.322 -1.739 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN(C(C)=O)C[C@H]1C ZINC000629798656 373787156 /nfs/dbraw/zinc/78/71/56/373787156.db2.gz VBISWPUTHNJIBJ-SNVBAGLBSA-N 0 3 284.360 -1.127 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC[C@H](Cn2ccnn2)C1 ZINC000629812076 373788121 /nfs/dbraw/zinc/78/81/21/373788121.db2.gz GJPKROYIMDAPPV-NSHDSACASA-N 0 3 294.359 -1.066 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCO[C@@H]([C@H](C)O)C1 ZINC000629806091 373788188 /nfs/dbraw/zinc/78/81/88/373788188.db2.gz UPZDAGJJULQQRI-VHSXEESVSA-N 0 3 273.333 -1.598 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CCN(C[C@H](C)O)CC1 ZINC000629813023 373788564 /nfs/dbraw/zinc/78/85/64/373788564.db2.gz ZCJZCGZSZOFUSI-NSHDSACASA-N 0 3 286.376 -1.681 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC(=O)N1 ZINC000456190786 373788838 /nfs/dbraw/zinc/78/88/38/373788838.db2.gz NOTBBTYICDLJLM-MNOVXSKESA-N 0 3 296.371 -1.257 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000629809964 373789014 /nfs/dbraw/zinc/78/90/14/373789014.db2.gz VLJPKQHDMMJHMF-UHFFFAOYSA-N 0 3 293.331 -2.063 20 0 CAADHN O=C(CCC(=O)N1CCOCC1)NCCN1CC[C@H](O)C1 ZINC000629910352 373790083 /nfs/dbraw/zinc/79/00/83/373790083.db2.gz JKWLFIKOMBJPAZ-LBPRGKRZSA-N 0 3 299.371 -1.192 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN2CC[C@H](O)C2)C1 ZINC000629913351 373790746 /nfs/dbraw/zinc/79/07/46/373790746.db2.gz CLZPPKYYAVEWRX-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN2CC[C@H](O)C2)C1 ZINC000629913354 373791793 /nfs/dbraw/zinc/79/17/93/373791793.db2.gz CLZPPKYYAVEWRX-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1C(=O)CN(CC(=O)NCCNc2ccncc2)C1=O ZINC000629950709 373792826 /nfs/dbraw/zinc/79/28/26/373792826.db2.gz YCFKMJCVEJNKIA-UHFFFAOYSA-N 0 3 291.311 -1.074 20 0 CAADHN C[NH2+]C1(CNC(=O)CN2CC(=O)[N-]C2=O)CCC1 ZINC000630000561 373795669 /nfs/dbraw/zinc/79/56/69/373795669.db2.gz LUTXGKNGNPUASL-UHFFFAOYSA-N 0 3 254.290 -1.204 20 0 CAADHN CN(CC(=O)N1CC[C@@](O)(C(N)=O)C1)C1CCC1 ZINC000629984948 373795932 /nfs/dbraw/zinc/79/59/32/373795932.db2.gz RDJBIPIVMXSNRH-LBPRGKRZSA-N 0 3 255.318 -1.081 20 0 CAADHN CCN(C)CCNC(=O)CN(C)S(C)(=O)=O ZINC000066959006 373797692 /nfs/dbraw/zinc/79/76/92/373797692.db2.gz LGBWKTWPESBPDS-UHFFFAOYSA-N 0 3 251.352 -1.054 20 0 CAADHN C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000627242292 373881934 /nfs/dbraw/zinc/88/19/34/373881934.db2.gz PLBISIDRSLIOIO-YIZRAAEISA-N 0 3 281.316 -1.318 20 0 CAADHN CN(C)CCOCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000540843269 373903154 /nfs/dbraw/zinc/90/31/54/373903154.db2.gz OJYIWWSTGZAXEC-UHFFFAOYSA-N 0 3 298.343 -1.759 20 0 CAADHN CN1CCN(C(=O)NCCCn2cncn2)[C@H](CN)C1 ZINC000627256506 373887967 /nfs/dbraw/zinc/88/79/67/373887967.db2.gz NXROHTOPEAKRJQ-LLVKDONJSA-N 0 3 281.364 -1.048 20 0 CAADHN CN1CCN(C(=O)NCCCn2cncn2)[C@@H](CN)C1 ZINC000627256507 373888037 /nfs/dbraw/zinc/88/80/37/373888037.db2.gz NXROHTOPEAKRJQ-NSHDSACASA-N 0 3 281.364 -1.048 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H](CO)CN2CCCCC2)NC1=O ZINC000614659669 373889996 /nfs/dbraw/zinc/88/99/96/373889996.db2.gz CFHSLTNMZHPJBE-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCCC1)[C@@H]1CC(=O)N1 ZINC000614662111 373890394 /nfs/dbraw/zinc/89/03/94/373890394.db2.gz YDZYEXDSKNDBSN-ZJUUUORDSA-N 0 3 255.318 -1.162 20 0 CAADHN COC(=O)[C@@H](CO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000614681428 373890421 /nfs/dbraw/zinc/89/04/21/373890421.db2.gz VUAJWIWLORVALM-NXEZZACHSA-N 0 3 271.317 -1.974 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H](CO)CN2CCCCC2)NC1=O ZINC000614659670 373890435 /nfs/dbraw/zinc/89/04/35/373890435.db2.gz CFHSLTNMZHPJBE-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)c1ccc2nnnn2c1 ZINC000564202184 373890569 /nfs/dbraw/zinc/89/05/69/373890569.db2.gz BCLLHBFXTGBEMB-VIFPVBQESA-N 0 3 262.273 -1.158 20 0 CAADHN COC(=O)[C@@H](CO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000614681431 373890794 /nfs/dbraw/zinc/89/07/94/373890794.db2.gz VUAJWIWLORVALM-ZJUUUORDSA-N 0 3 271.317 -1.974 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCCn1ccnn1 ZINC000127101341 373893617 /nfs/dbraw/zinc/89/36/17/373893617.db2.gz RVABBYOKSJYWKA-NSHDSACASA-N 0 3 282.348 -1.116 20 0 CAADHN C[N@@H+]1CC[C@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)C1 ZINC000538708819 373894600 /nfs/dbraw/zinc/89/46/00/373894600.db2.gz RUIPKIQULNYWIT-DTWKUNHWSA-N 0 3 266.301 -1.299 20 0 CAADHN C[N@H+]1CC[C@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)C1 ZINC000538708819 373894603 /nfs/dbraw/zinc/89/46/03/373894603.db2.gz RUIPKIQULNYWIT-DTWKUNHWSA-N 0 3 266.301 -1.299 20 0 CAADHN CCN(CC)S(=O)(=O)CC(=O)NC[C@@H]1CNCCO1 ZINC000564209411 373894650 /nfs/dbraw/zinc/89/46/50/373894650.db2.gz QPLJQGKIXLXNEL-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)O2)[C@@H](CN)C1 ZINC000564209110 373894701 /nfs/dbraw/zinc/89/47/01/373894701.db2.gz JPFDWZUQLBWVFK-AEJSXWLSSA-N 0 3 270.333 -1.879 20 0 CAADHN C[N@@H+]1CC[C@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)C1 ZINC000538708820 373894816 /nfs/dbraw/zinc/89/48/16/373894816.db2.gz RUIPKIQULNYWIT-IUCAKERBSA-N 0 3 266.301 -1.299 20 0 CAADHN C[N@H+]1CC[C@H](C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)C1 ZINC000538708820 373894822 /nfs/dbraw/zinc/89/48/22/373894822.db2.gz RUIPKIQULNYWIT-IUCAKERBSA-N 0 3 266.301 -1.299 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000614849359 373895690 /nfs/dbraw/zinc/89/56/90/373895690.db2.gz XPJCMHFHKNEQCP-RQJHMYQMSA-N 0 3 258.278 -2.377 20 0 CAADHN COCCN(C)CCCNC(=O)Cn1cn[nH]c1=O ZINC000128184304 373895837 /nfs/dbraw/zinc/89/58/37/373895837.db2.gz MDXBEIRZKBJKBV-UHFFFAOYSA-N 0 3 271.321 -1.344 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000614839084 373896145 /nfs/dbraw/zinc/89/61/45/373896145.db2.gz NSLWJOGLBMMYEB-AYHFEMFVSA-N 0 3 258.318 -1.535 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000614849205 373896310 /nfs/dbraw/zinc/89/63/10/373896310.db2.gz VZFHYNYWWNBRCE-DTWKUNHWSA-N 0 3 282.348 -1.751 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)c1cc2n(n1)CCO2 ZINC000614846101 373896646 /nfs/dbraw/zinc/89/66/46/373896646.db2.gz FBZWOWVKAGTAHX-MRVPVSSYSA-N 0 3 254.290 -1.072 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000614847469 373896705 /nfs/dbraw/zinc/89/67/05/373896705.db2.gz LSSGPQBLZVMZBR-CABZTGNLSA-N 0 3 257.334 -1.059 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)NCCC[NH2+]C1CC1 ZINC000564212638 373896720 /nfs/dbraw/zinc/89/67/20/373896720.db2.gz ATPLGVZQXDAZFG-UHFFFAOYSA-N 0 3 254.290 -1.204 20 0 CAADHN CCN1CCO[C@H](C(=O)N[C@@H](CO)CN(C)C)C1 ZINC000614844893 373896820 /nfs/dbraw/zinc/89/68/20/373896820.db2.gz ANWRZEDKKYTWSW-MNOVXSKESA-N 0 3 259.350 -1.254 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000614839138 373896848 /nfs/dbraw/zinc/89/68/48/373896848.db2.gz ORBWROGDXGYSIC-UWVGGRQHSA-N 0 3 292.405 -1.032 20 0 CAADHN CC(C)C(=O)N[C@@H](CO)C(=O)N[C@H](CO)CN(C)C ZINC000614846873 373896887 /nfs/dbraw/zinc/89/68/87/373896887.db2.gz IVQIGAHRIDXKKU-UWVGGRQHSA-N 0 3 275.349 -1.842 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)COCc1nccn1C ZINC000614846848 373896980 /nfs/dbraw/zinc/89/69/80/373896980.db2.gz ITLIIBJLUPZUQP-SNVBAGLBSA-N 0 3 270.333 -1.025 20 0 CAADHN CCN1CCO[C@@H](C(=O)N[C@H](CO)CN(C)C)C1 ZINC000614844896 373897008 /nfs/dbraw/zinc/89/70/08/373897008.db2.gz ANWRZEDKKYTWSW-WDEREUQCSA-N 0 3 259.350 -1.254 20 0 CAADHN CCC[C@@H](C(=O)N[C@@H](CO)CN(C)C)S(N)(=O)=O ZINC000614846456 373897053 /nfs/dbraw/zinc/89/70/53/373897053.db2.gz HDRARCZCINHFCI-BDAKNGLRSA-N 0 3 281.378 -1.518 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@]1(C)CCC(=O)NC1 ZINC000614847470 373897065 /nfs/dbraw/zinc/89/70/65/373897065.db2.gz LSSGPQBLZVMZBR-JOYOIKCWSA-N 0 3 257.334 -1.059 20 0 CAADHN Cc1cc(C)n(CC(=O)N[C@H](CO)CN(C)C)c(=O)n1 ZINC000614850710 373897874 /nfs/dbraw/zinc/89/78/74/373897874.db2.gz BPGBPZJGXYFBGI-NSHDSACASA-N 0 3 282.344 -1.101 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN(C)C(=O)C1CC1 ZINC000614853724 373897968 /nfs/dbraw/zinc/89/79/68/373897968.db2.gz HAJYMXPRPJUFNP-SNVBAGLBSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000614853976 373897992 /nfs/dbraw/zinc/89/79/92/373897992.db2.gz JYNNHBXYSJNHIU-ZETCQYMHSA-N 0 3 286.288 -2.554 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000614849449 373898078 /nfs/dbraw/zinc/89/80/78/373898078.db2.gz YIUZTCGGTQJWDP-NXEZZACHSA-N 0 3 281.360 -1.041 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N[C@H](CO)CN(C)C ZINC000614850506 373898145 /nfs/dbraw/zinc/89/81/45/373898145.db2.gz ZEKOQRZEMSTVKP-QWRGUYRKSA-N 0 3 273.333 -1.728 20 0 CAADHN C[C@H](C(=O)N[C@H](CO)CN(C)C)N1C(=O)CCC1=O ZINC000614854935 373898219 /nfs/dbraw/zinc/89/82/19/373898219.db2.gz TUBVMXXXHPBRPA-BDAKNGLRSA-N 0 3 271.317 -1.437 20 0 CAADHN CCN1C[C@H](C(=O)N[C@H](CO)CN(C)C)CC1=O ZINC000614854746 373898391 /nfs/dbraw/zinc/89/83/91/373898391.db2.gz RRZHFUQLHYSGSW-ZJUUUORDSA-N 0 3 257.334 -1.107 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N[C@H](CO)CN(C)C ZINC000614849831 373898429 /nfs/dbraw/zinc/89/84/29/373898429.db2.gz PEHWCUIZPJPFIS-QWRGUYRKSA-N 0 3 259.350 -1.254 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@H](CO)CN(C)C ZINC000614850058 373898493 /nfs/dbraw/zinc/89/84/93/373898493.db2.gz RAWIWBJTQWOXPE-VIFPVBQESA-N 0 3 261.322 -1.870 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614850505 373898565 /nfs/dbraw/zinc/89/85/65/373898565.db2.gz ZEKOQRZEMSTVKP-MNOVXSKESA-N 0 3 273.333 -1.728 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000614849826 373898577 /nfs/dbraw/zinc/89/85/77/373898577.db2.gz PEHWCUIZPJPFIS-GHMZBOCLSA-N 0 3 259.350 -1.254 20 0 CAADHN C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N[C@@H](CO)CN(C)C ZINC000614851322 373898591 /nfs/dbraw/zinc/89/85/91/373898591.db2.gz HLTFOIBRDUUIDK-JMJZKYOTSA-N 0 3 287.360 -1.699 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCn1ncn(C)c1=O ZINC000614849689 373898787 /nfs/dbraw/zinc/89/87/87/373898787.db2.gz ZICQXYOYRPPVPB-VIFPVBQESA-N 0 3 271.321 -1.989 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCNS(C)(=O)=O ZINC000614853764 373898812 /nfs/dbraw/zinc/89/88/12/373898812.db2.gz HWRBNNSWOYKVNA-QMMMGPOBSA-N 0 3 267.351 -2.036 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCCN1C(=O)CCC1=O ZINC000614855253 373898987 /nfs/dbraw/zinc/89/89/87/373898987.db2.gz WJALVWZQACCLMJ-JTQLQIEISA-N 0 3 285.344 -1.046 20 0 CAADHN CC(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H](CO)CN(C)C ZINC000614851716 373899119 /nfs/dbraw/zinc/89/91/19/373899119.db2.gz KSWLAZGQAYNBHI-VHSXEESVSA-N 0 3 295.405 -1.401 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cccc(C(N)=O)n1 ZINC000614853513 373899275 /nfs/dbraw/zinc/89/92/75/373899275.db2.gz XVBSKZNIEKVIQD-QMMMGPOBSA-N 0 3 266.301 -1.167 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000614849594 373899415 /nfs/dbraw/zinc/89/94/15/373899415.db2.gz YIUZTCGGTQJWDP-UWVGGRQHSA-N 0 3 281.360 -1.041 20 0 CAADHN COCCn1cc(C(=O)N[C@@H](CO)CN(C)C)nn1 ZINC000614858363 373900245 /nfs/dbraw/zinc/90/02/45/373900245.db2.gz NEAOZJDCLJBYAT-SECBINFHSA-N 0 3 271.321 -1.423 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC000614860740 373900379 /nfs/dbraw/zinc/90/03/79/373900379.db2.gz VFXIBLPWHQNOPI-UWVGGRQHSA-N 0 3 272.349 -1.184 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC000614860737 373900487 /nfs/dbraw/zinc/90/04/87/373900487.db2.gz VFXIBLPWHQNOPI-NXEZZACHSA-N 0 3 272.349 -1.184 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1C(=O)NC(C)(C)C1=O ZINC000614861491 373900556 /nfs/dbraw/zinc/90/05/56/373900556.db2.gz ZNSCGENEOZZUKC-QMMMGPOBSA-N 0 3 286.332 -1.645 20 0 CAADHN Cn1cc([C@H](CO)NC(=O)[C@@H]2CN3CCN2CCC3)cn1 ZINC000539798248 373900638 /nfs/dbraw/zinc/90/06/38/373900638.db2.gz DICCFZAUNQPASS-STQMWFEESA-N 0 3 293.371 -1.040 20 0 CAADHN CCN(CCN)C(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000627113345 373841574 /nfs/dbraw/zinc/84/15/74/373841574.db2.gz VZAYQJCRCLWFCR-DTWKUNHWSA-N 0 3 279.362 -1.211 20 0 CAADHN CCN(CCN)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000627113346 373841834 /nfs/dbraw/zinc/84/18/34/373841834.db2.gz VZAYQJCRCLWFCR-IUCAKERBSA-N 0 3 279.362 -1.211 20 0 CAADHN NC(=O)[C@H]1C[C@H](NC(=O)NC[C@@H]2CNCCO2)C1 ZINC000627102158 373841871 /nfs/dbraw/zinc/84/18/71/373841871.db2.gz JALYITWJLFBKJX-CIUDSAMLSA-N 0 3 256.306 -1.462 20 0 CAADHN COCCn1cc(C(=O)N[C@H](CO)CN(C)C)nn1 ZINC000614858366 373900742 /nfs/dbraw/zinc/90/07/42/373900742.db2.gz NEAOZJDCLJBYAT-VIFPVBQESA-N 0 3 271.321 -1.423 20 0 CAADHN Cn1cc([C@H](CO)NC(=O)[C@H]2CN3CCN2CCC3)cn1 ZINC000539798247 373900788 /nfs/dbraw/zinc/90/07/88/373900788.db2.gz DICCFZAUNQPASS-QWHCGFSZSA-N 0 3 293.371 -1.040 20 0 CAADHN CN1CCN(C(=O)N[C@H]2C[C@H](C(N)=O)C2)[C@H](CN)C1 ZINC000627156460 373842844 /nfs/dbraw/zinc/84/28/44/373842844.db2.gz CUKBQRAIWQGRAL-OPRDCNLKSA-N 0 3 269.349 -1.465 20 0 CAADHN CN1CCN(C(=O)NC[C@@H]2COCCN2C)[C@H](CN)C1 ZINC000627184449 373845038 /nfs/dbraw/zinc/84/50/38/373845038.db2.gz YFWURXHYRCHKAX-VXGBXAGGSA-N 0 3 285.392 -1.399 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)N1CCOC2(CNC2)C1 ZINC000627182932 373845468 /nfs/dbraw/zinc/84/54/68/373845468.db2.gz FVRSDTXVXYDQJS-NSHDSACASA-N 0 3 284.360 -1.299 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1CCN(C2CC2)C1=O ZINC000614860782 373901023 /nfs/dbraw/zinc/90/10/23/373901023.db2.gz VMQVIVKOYSXRBF-SNVBAGLBSA-N 0 3 284.360 -1.075 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@H]2COCCN2)C1 ZINC000627190095 373847284 /nfs/dbraw/zinc/84/72/84/373847284.db2.gz UTDGGUGMDBMLSK-JQWIXIFHSA-N 0 3 272.349 -1.659 20 0 CAADHN O=C(NC[C@@H]1COCCN1)NC[C@@H]1COCCN1 ZINC000627192222 373847310 /nfs/dbraw/zinc/84/73/10/373847310.db2.gz QQVCAGAXLQIWGH-NXEZZACHSA-N 0 3 258.322 -1.738 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000614856756 373901103 /nfs/dbraw/zinc/90/11/03/373901103.db2.gz BCNFBDGRPKURLU-JTQLQIEISA-N 0 3 297.359 -1.580 20 0 CAADHN O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1COCCN1 ZINC000627191886 373847957 /nfs/dbraw/zinc/84/79/57/373847957.db2.gz JASREXSLHRZDDO-GHMZBOCLSA-N 0 3 272.349 -1.659 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000613523382 373849404 /nfs/dbraw/zinc/84/94/04/373849404.db2.gz SQRFOTFHZXWZHK-LDYMZIIASA-N 0 3 256.306 -1.807 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2nc3ncccn3n2)C1 ZINC000613522952 373849465 /nfs/dbraw/zinc/84/94/65/373849465.db2.gz OZQPRYLMKJJWFL-LBPRGKRZSA-N 0 3 276.300 -1.079 20 0 CAADHN CN1CC[C@](O)(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC000613523379 373849802 /nfs/dbraw/zinc/84/98/02/373849802.db2.gz SQRFOTFHZXWZHK-KCJUWKMLSA-N 0 3 256.306 -1.807 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2nc3n(n2)CCCN3)C1 ZINC000613521064 373849936 /nfs/dbraw/zinc/84/99/36/373849936.db2.gz AGTCUVRRYMDWNI-LBPRGKRZSA-N 0 3 280.332 -1.852 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2nc3n(n2)CCCN3)C1 ZINC000613521053 373849969 /nfs/dbraw/zinc/84/99/69/373849969.db2.gz AGTCUVRRYMDWNI-GFCCVEGCSA-N 0 3 280.332 -1.852 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC000613523374 373850021 /nfs/dbraw/zinc/85/00/21/373850021.db2.gz SQRFOTFHZXWZHK-GZMMTYOYSA-N 0 3 256.306 -1.807 20 0 CAADHN CCC[C@H](C(=O)NC[C@]1(O)CCN(C)C1)S(N)(=O)=O ZINC000613521359 373850071 /nfs/dbraw/zinc/85/00/71/373850071.db2.gz CXAGOAJJZVJAMG-MWLCHTKSSA-N 0 3 293.389 -1.374 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000613521570 373850233 /nfs/dbraw/zinc/85/02/33/373850233.db2.gz FTDRXAFEHFBODZ-KOLCDFICSA-N 0 3 293.389 -1.503 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2ccn3nnnc3c2)C1 ZINC000613522619 373850267 /nfs/dbraw/zinc/85/02/67/373850267.db2.gz MXXGJBKMNDNVDS-GFCCVEGCSA-N 0 3 276.300 -1.079 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000614858917 373901229 /nfs/dbraw/zinc/90/12/29/373901229.db2.gz MDFCWNXMRKZUOI-ZJUUUORDSA-N 0 3 293.389 -1.551 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1CCN(C2CC2)C1=O ZINC000614860779 373901283 /nfs/dbraw/zinc/90/12/83/373901283.db2.gz VMQVIVKOYSXRBF-JTQLQIEISA-N 0 3 284.360 -1.075 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1(n2cnnn2)CC1 ZINC000614859174 373901411 /nfs/dbraw/zinc/90/14/11/373901411.db2.gz PUPQSVXCQOVFIH-QMMMGPOBSA-N 0 3 254.294 -1.799 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC000613585395 373853014 /nfs/dbraw/zinc/85/30/14/373853014.db2.gz BDSBBQKXYVRRQE-VIFPVBQESA-N 0 3 258.322 -1.560 20 0 CAADHN Nc1nc(N)nc(N2CCN(C[C@H]3CCCO3)CC2)n1 ZINC000623800751 373853165 /nfs/dbraw/zinc/85/31/65/373853165.db2.gz ZGUXPKGGOIVEKD-SECBINFHSA-N 0 3 279.348 -1.002 20 0 CAADHN Cc1nnc2n1C[C@H](C(=O)N[C@H](CO)CN(C)C)N(C)C2 ZINC000614859428 373901436 /nfs/dbraw/zinc/90/14/36/373901436.db2.gz ZGVGIGBDJZLUJX-WDEREUQCSA-N 0 3 296.375 -1.561 20 0 CAADHN Nc1nc(N)nc(N2CCN(C(=O)C3CC3)CC2)n1 ZINC000623801129 373855508 /nfs/dbraw/zinc/85/55/08/373855508.db2.gz KOMZFAGFOPXMPW-UHFFFAOYSA-N 0 3 263.305 -1.245 20 0 CAADHN CN(C)CCCS(=O)(=O)NCCOCCO ZINC000631999480 373856556 /nfs/dbraw/zinc/85/65/56/373856556.db2.gz GYMPXKZWOHWJNY-UHFFFAOYSA-N 0 3 254.352 -1.134 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1ccn2nnnc2c1 ZINC000614859157 373901585 /nfs/dbraw/zinc/90/15/85/373901585.db2.gz PHSKQGSBWGUCFV-VIFPVBQESA-N 0 3 264.289 -1.223 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCCN1C(=O)CNC1=O ZINC000614857277 373901642 /nfs/dbraw/zinc/90/16/42/373901642.db2.gz APOGKCILUHADNN-SECBINFHSA-N 0 3 286.332 -1.643 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCc2nnnn2CC1 ZINC000614857777 373901790 /nfs/dbraw/zinc/90/17/90/373901790.db2.gz JXCYZOXLXJNRQP-VHSXEESVSA-N 0 3 282.348 -1.336 20 0 CAADHN CN(C)C1(CNC(=O)CNS(=O)(=O)N(C)C)CCC1 ZINC000613796002 373861388 /nfs/dbraw/zinc/86/13/88/373861388.db2.gz JAUHUOKIXDATFG-UHFFFAOYSA-N 0 3 292.405 -1.017 20 0 CAADHN CN(C)C[C@]1(O)CCCN(C(=O)[C@H]2CC(=O)N2)C1 ZINC000614071349 373868185 /nfs/dbraw/zinc/86/81/85/373868185.db2.gz VALDNLMHKREWCI-BXKDBHETSA-N 0 3 255.318 -1.210 20 0 CAADHN NC(=O)[C@H](O)CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000614073318 373868261 /nfs/dbraw/zinc/86/82/61/373868261.db2.gz HYRSSOMGRCGONC-LLVKDONJSA-N 0 3 299.371 -1.016 20 0 CAADHN CN(C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC(=O)N2)C1 ZINC000614071350 373868292 /nfs/dbraw/zinc/86/82/92/373868292.db2.gz VALDNLMHKREWCI-CABZTGNLSA-N 0 3 255.318 -1.210 20 0 CAADHN CN(CCC(=O)NC[C@@H](O)C(N)=O)c1ccncc1 ZINC000614074413 373868436 /nfs/dbraw/zinc/86/84/36/373868436.db2.gz RBZUSGSMGSPDKK-SNVBAGLBSA-N 0 3 266.301 -1.130 20 0 CAADHN CN(CCC(=O)NC[C@H](O)C(N)=O)c1ccncc1 ZINC000614074408 373868702 /nfs/dbraw/zinc/86/87/02/373868702.db2.gz RBZUSGSMGSPDKK-JTQLQIEISA-N 0 3 266.301 -1.130 20 0 CAADHN NC(=O)[C@@H](O)CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC000614073319 373868724 /nfs/dbraw/zinc/86/87/24/373868724.db2.gz HYRSSOMGRCGONC-NSHDSACASA-N 0 3 299.371 -1.016 20 0 CAADHN CC[C@@H]1CN(C)CCCN1C(=O)CNS(=O)(=O)NC ZINC000614340749 373873935 /nfs/dbraw/zinc/87/39/35/373873935.db2.gz DOKKUWDDSVFCMT-SNVBAGLBSA-N 0 3 292.405 -1.017 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N1CCN(C)C[C@H]1CN ZINC000566200073 373943172 /nfs/dbraw/zinc/94/31/72/373943172.db2.gz GBWJVZRZDYKWST-SNVBAGLBSA-N 0 3 292.405 -1.631 20 0 CAADHN NC1(C(=O)NCC(=O)NCCN2CCOCC2)CCC1 ZINC000566194000 373943211 /nfs/dbraw/zinc/94/32/11/373943211.db2.gz WNEOAUUZZZJDHU-UHFFFAOYSA-N 0 3 284.360 -1.568 20 0 CAADHN CN(CC(=O)N[C@H]1CNCCC1(F)F)S(C)(=O)=O ZINC000566068161 373943519 /nfs/dbraw/zinc/94/35/19/373943519.db2.gz WAWLRBCEVADTOZ-ZETCQYMHSA-N 0 3 285.316 -1.009 20 0 CAADHN O=C(CNC(=O)CNC1CC1)NCCN1CCOCC1 ZINC000566194070 373944051 /nfs/dbraw/zinc/94/40/51/373944051.db2.gz YUDJZJSSFXUJTI-UHFFFAOYSA-N 0 3 284.360 -1.697 20 0 CAADHN CC[C@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCO1 ZINC000566091938 373944102 /nfs/dbraw/zinc/94/41/02/373944102.db2.gz VBRXBEPNKFBZSJ-RYUDHWBXSA-N 0 3 298.387 -1.275 20 0 CAADHN CO[C@H](CN)C(=O)N[C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000567900113 373964277 /nfs/dbraw/zinc/96/42/77/373964277.db2.gz PVFDGJOAYSVPPJ-LPEHRKFASA-N 0 3 293.389 -1.063 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)COC1CNC1 ZINC000566249775 373945258 /nfs/dbraw/zinc/94/52/58/373945258.db2.gz KTZVTFLHXLGMEY-ONGXEEELSA-N 0 3 272.301 -1.500 20 0 CAADHN COC[C@H](NC(=O)CNC(=O)[C@@H](N)C(C)C)C(=O)OC ZINC000566250636 373946888 /nfs/dbraw/zinc/94/68/88/373946888.db2.gz ZTQXJKWBTXVBIR-WPRPVWTQSA-N 0 3 289.332 -1.610 20 0 CAADHN COCCNC(=O)CN1CCN(C(=O)CNC2CC2)CC1 ZINC000566286860 373946945 /nfs/dbraw/zinc/94/69/45/373946945.db2.gz GKSXICTTYUWAJF-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN COCCN1CN(C(=O)C2CCCS2(=O)=O)CC1=O ZINC000566459386 373947842 /nfs/dbraw/zinc/94/78/42/373947842.db2.gz DDKCZKDTQUXGAZ-VIFPVBQESA-N 0 3 290.341 -1.162 20 0 CAADHN O=C(NCCN1CCNC(=O)C1)N1CCN2CCC1CC2 ZINC000566579951 373948090 /nfs/dbraw/zinc/94/80/90/373948090.db2.gz HWDFQKDSJUNPOA-UHFFFAOYSA-N 0 3 295.387 -1.092 20 0 CAADHN CC(C)=CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566511799 373948537 /nfs/dbraw/zinc/94/85/37/373948537.db2.gz YMSWYENQHIVMSM-WDEREUQCSA-N 0 3 294.355 -1.161 20 0 CAADHN CCC[C@H](O)[C@H](CO)NC[C@H](O)CN1CCOCC1 ZINC000566561802 373948900 /nfs/dbraw/zinc/94/89/00/373948900.db2.gz PFNLUENZFNOPSX-AVGNSLFASA-N 0 3 276.377 -1.209 20 0 CAADHN CN1CCN(C(=O)C[C@@H]2COCCN2)[C@@H](CN)C1 ZINC000566854462 373949824 /nfs/dbraw/zinc/94/98/24/373949824.db2.gz PXQRKUYBVHYKSD-MNOVXSKESA-N 0 3 256.350 -1.534 20 0 CAADHN CN1CCN(C(=O)CCN2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000566671659 373950079 /nfs/dbraw/zinc/95/00/79/373950079.db2.gz XXSSLFAJOAMINV-CHWSQXEVSA-N 0 3 285.388 -1.174 20 0 CAADHN O=C(NC[C@]1(O)CN2CCC1CC2)C(=O)NC1CC1 ZINC000566806197 373950871 /nfs/dbraw/zinc/95/08/71/373950871.db2.gz PIVVSJYLNLYHQH-ZDUSSCGKSA-N 0 3 267.329 -1.162 20 0 CAADHN CN1CCN(C(=O)CCN2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000566671660 373950932 /nfs/dbraw/zinc/95/09/32/373950932.db2.gz XXSSLFAJOAMINV-OLZOCXBDSA-N 0 3 285.388 -1.174 20 0 CAADHN CN1CCN(C(=O)C[C@H]2COCCN2)[C@@H](CN)C1 ZINC000566854463 373951200 /nfs/dbraw/zinc/95/12/00/373951200.db2.gz PXQRKUYBVHYKSD-QWRGUYRKSA-N 0 3 256.350 -1.534 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)N1CCN(C)C[C@@H]1CN ZINC000566915720 373951238 /nfs/dbraw/zinc/95/12/38/373951238.db2.gz OQOZKIGDTGIUHB-JTQLQIEISA-N 0 3 292.405 -1.631 20 0 CAADHN CN1CCN(C(=O)CCN2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000566671661 373951285 /nfs/dbraw/zinc/95/12/85/373951285.db2.gz XXSSLFAJOAMINV-QWHCGFSZSA-N 0 3 285.388 -1.174 20 0 CAADHN N[C@@H]1C[C@H]2CN(CCC(=O)N3CCOCC3)CCN2C1=O ZINC000566631086 373951372 /nfs/dbraw/zinc/95/13/72/373951372.db2.gz KGACZXHGFNABRA-NWDGAFQWSA-N 0 3 296.371 -1.521 20 0 CAADHN CN1CCN(C(=O)CCN2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000566671662 373951426 /nfs/dbraw/zinc/95/14/26/373951426.db2.gz XXSSLFAJOAMINV-STQMWFEESA-N 0 3 285.388 -1.174 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NC3CCCC3)CCN2C1=O ZINC000566808781 373951455 /nfs/dbraw/zinc/95/14/55/373951455.db2.gz ZXXQNSQTERXNNK-MNOVXSKESA-N 0 3 294.355 -1.184 20 0 CAADHN CCN1CCN(CC(=O)NCC(=O)N2CCNCC2)CC1 ZINC000567169912 373952765 /nfs/dbraw/zinc/95/27/65/373952765.db2.gz FOCQHARLXVMZEI-UHFFFAOYSA-N 0 3 297.403 -1.828 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000567174033 373953032 /nfs/dbraw/zinc/95/30/32/373953032.db2.gz ZNSMOHLJVKVHHY-MRVPVSSYSA-N 0 3 256.306 -1.907 20 0 CAADHN CN(C)CCN1C(=O)C[C@H](N2CCN(C)C(=O)C2)C1=O ZINC000567114441 373953448 /nfs/dbraw/zinc/95/34/48/373953448.db2.gz NDDAROYCKGQMJC-JTQLQIEISA-N 0 3 282.344 -1.551 20 0 CAADHN CN1CCN(C[C@H]2CCCN(C(=O)CN)C2)CC1=O ZINC000568007722 373964876 /nfs/dbraw/zinc/96/48/76/373964876.db2.gz YNSKAFGAZPERTP-LLVKDONJSA-N 0 3 268.361 -1.042 20 0 CAADHN CN1CC[C@@H]2CCN(C(=O)CN3CCNCC3=O)[C@@H]2C1 ZINC000567046774 373954022 /nfs/dbraw/zinc/95/40/22/373954022.db2.gz UWTKQANNUZBLBZ-VXGBXAGGSA-N 0 3 280.372 -1.029 20 0 CAADHN CO[C@H](CN)C(=O)N[C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000567900111 373965001 /nfs/dbraw/zinc/96/50/01/373965001.db2.gz PVFDGJOAYSVPPJ-IVZWLZJFSA-N 0 3 293.389 -1.063 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN(C(=O)CO)CC1 ZINC000567363434 373955564 /nfs/dbraw/zinc/95/55/64/373955564.db2.gz FUGWSILNXCRNNH-LBPRGKRZSA-N 0 3 289.376 -1.938 20 0 CAADHN CCN1C[C@@H](NC[C@H](O)CN2CCN(C)CC2)CC1=O ZINC000567464904 373956347 /nfs/dbraw/zinc/95/63/47/373956347.db2.gz ABMYNDKDPQOTAH-STQMWFEESA-N 0 3 284.404 -1.195 20 0 CAADHN CNC(=O)CCCN(C)CCN1C(=O)CNC1=O ZINC000154572388 373956523 /nfs/dbraw/zinc/95/65/23/373956523.db2.gz PVLVEOJYAQFWPF-UHFFFAOYSA-N 0 3 256.306 -1.004 20 0 CAADHN CN(C)C(=O)CCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000567407977 373956994 /nfs/dbraw/zinc/95/69/94/373956994.db2.gz RGHJUYRAFIZFDM-UWVGGRQHSA-N 0 3 254.334 -1.292 20 0 CAADHN CCN(CCO)CCNC(=O)CCNS(C)(=O)=O ZINC000567661825 373958677 /nfs/dbraw/zinc/95/86/77/373958677.db2.gz ZWGVHCBTOPUKKT-UHFFFAOYSA-N 0 3 281.378 -1.644 20 0 CAADHN COCCN1CC[C@H](NC(=O)NC(C)(CO)CO)C1 ZINC000567476363 373959805 /nfs/dbraw/zinc/95/98/05/373959805.db2.gz IWCLPWCNPZRRKR-JTQLQIEISA-N 0 3 275.349 -1.250 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)N1CCN(C)C[C@H]1CN ZINC000567731262 373959827 /nfs/dbraw/zinc/95/98/27/373959827.db2.gz KPMQGMZTTJYIJY-GMTAPVOTSA-N 0 3 272.349 -1.316 20 0 CAADHN CN(C)CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000567830532 373961706 /nfs/dbraw/zinc/96/17/06/373961706.db2.gz GZNSWAJMZPDOON-UHFFFAOYSA-N 0 3 253.310 -1.286 20 0 CAADHN CN(C)CCOCCNC(=O)CN(C)S(C)(=O)=O ZINC000540847731 373904633 /nfs/dbraw/zinc/90/46/33/373904633.db2.gz BRIFQVYAIPCHHH-UHFFFAOYSA-N 0 3 281.378 -1.428 20 0 CAADHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CNC(CO)CO ZINC000567874594 373962235 /nfs/dbraw/zinc/96/22/35/373962235.db2.gz RHDCVLFSWDQGLY-JTQLQIEISA-N 0 3 294.307 -1.414 20 0 CAADHN CCNS(=O)(=O)[C@H]1CCN(C(=O)CNCCOC)C1 ZINC000567815834 373962369 /nfs/dbraw/zinc/96/23/69/373962369.db2.gz SOFCVAJLKXCKRX-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN CN1CCC[C@H]1CNC(=O)NCCN1CCNC(=O)C1 ZINC000541905358 373909319 /nfs/dbraw/zinc/90/93/19/373909319.db2.gz KCPBMYREVLQMAA-NSHDSACASA-N 0 3 283.376 -1.188 20 0 CAADHN CC(=O)NCCN(C)CCCN1C(=O)CNC1=O ZINC000567812411 373962389 /nfs/dbraw/zinc/96/23/89/373962389.db2.gz WVDAPEACYJSEDH-UHFFFAOYSA-N 0 3 256.306 -1.004 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CC(C)(C(N)=O)C1 ZINC000567790316 373962465 /nfs/dbraw/zinc/96/24/65/373962465.db2.gz XAPXWBUMFUCYEY-UHFFFAOYSA-N 0 3 271.317 -1.185 20 0 CAADHN O=C1c2ccccc2C(=O)N1C[C@H](O)CNC(CO)CO ZINC000567874595 373962567 /nfs/dbraw/zinc/96/25/67/373962567.db2.gz RHDCVLFSWDQGLY-SNVBAGLBSA-N 0 3 294.307 -1.414 20 0 CAADHN CN1CC[C@](O)(CNC(=O)N[C@@H]2CCCN(C)C2=O)C1 ZINC000545178071 373914446 /nfs/dbraw/zinc/91/44/46/373914446.db2.gz RBHFDMVBGPKJOC-MFKMUULPSA-N 0 3 284.360 -1.027 20 0 CAADHN O=S(=O)(NCc1cn(CCF)nn1)N1CCNCC1 ZINC000630591944 373915023 /nfs/dbraw/zinc/91/50/23/373915023.db2.gz VIGGOGPXRWFPCW-UHFFFAOYSA-N 0 3 292.340 -1.513 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@@H]2COCCO2)C1 ZINC000545176819 373915435 /nfs/dbraw/zinc/91/54/35/373915435.db2.gz ONQIDGAXGKMQJS-PWSUYJOCSA-N 0 3 273.333 -1.232 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)NC1=O ZINC000627269409 373915701 /nfs/dbraw/zinc/91/57/01/373915701.db2.gz SAYVVZGHIQMAOJ-OUAUKWLOSA-N 0 3 282.344 -1.323 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[nH]1 ZINC000615078053 373919279 /nfs/dbraw/zinc/91/92/79/373919279.db2.gz CWIUMHSGGVEYDJ-IUCAKERBSA-N 0 3 253.306 -1.211 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@@H]1O ZINC000615079243 373919689 /nfs/dbraw/zinc/91/96/89/373919689.db2.gz FTIWUQXQGDGBOY-IUCAKERBSA-N 0 3 294.377 -2.484 20 0 CAADHN CN(C)CC(=O)N1CCN(C(=O)CCc2cn[nH]n2)CC1 ZINC000630720021 373919757 /nfs/dbraw/zinc/91/97/57/373919757.db2.gz HRABCRUDDKMLDZ-UHFFFAOYSA-N 0 3 294.359 -1.030 20 0 CAADHN CN(C)CC(=O)N1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC000630720021 373919765 /nfs/dbraw/zinc/91/97/65/373919765.db2.gz HRABCRUDDKMLDZ-UHFFFAOYSA-N 0 3 294.359 -1.030 20 0 CAADHN CN(C)[C@H]1CN(C(=O)C2(n3cnnn3)CC2)C[C@@H]1O ZINC000615078566 373920126 /nfs/dbraw/zinc/92/01/26/373920126.db2.gz IYAHLSJEHZGIGX-IUCAKERBSA-N 0 3 266.305 -1.705 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC000615186305 373921510 /nfs/dbraw/zinc/92/15/10/373921510.db2.gz YXJJXFZJTTZOFU-XHNCKOQMSA-N 0 3 266.301 -1.253 20 0 CAADHN CN1C[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H]2C1 ZINC000615186303 373922046 /nfs/dbraw/zinc/92/20/46/373922046.db2.gz YXJJXFZJTTZOFU-HRDYMLBCSA-N 0 3 266.301 -1.253 20 0 CAADHN CN(C[C@@H](O)Cn1cccn1)C[C@@H](O)CN1CCOCC1 ZINC000246573323 373922189 /nfs/dbraw/zinc/92/21/89/373922189.db2.gz VOEQINKZNDJQPW-ZIAGYGMSSA-N 0 3 298.387 -1.131 20 0 CAADHN C[C@H](C(=O)N[C@H](CO)CN(C)C)[C@H]1CCC(=O)N1 ZINC000627275794 373924114 /nfs/dbraw/zinc/92/41/14/373924114.db2.gz RFGIZCASWCFYQQ-LPEHRKFASA-N 0 3 257.334 -1.060 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000627275238 373924236 /nfs/dbraw/zinc/92/42/36/373924236.db2.gz GGXOVNSFBKJSOW-YIZRAAEISA-N 0 3 259.306 -1.942 20 0 CAADHN CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)CNC(N)=O ZINC000615259316 373924321 /nfs/dbraw/zinc/92/43/21/373924321.db2.gz GTYUHUABZWUOBF-ZJUUUORDSA-N 0 3 270.333 -1.024 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1CC(=O)N(C)C1=O ZINC000627275854 373924360 /nfs/dbraw/zinc/92/43/60/373924360.db2.gz SVAXQSSVNKRHQF-MRVPVSSYSA-N 0 3 272.305 -2.081 20 0 CAADHN O=C(CNC(=O)[C@@H]1CC(=O)N1)NCCN1CCCCCC1 ZINC000615238141 373924395 /nfs/dbraw/zinc/92/43/95/373924395.db2.gz QZMGUCQBRIHJOK-NSHDSACASA-N 0 3 296.371 -1.017 20 0 CAADHN C[C@H](C(=O)N[C@@H](CO)CN(C)C)[C@H]1CCC(=O)N1 ZINC000627275793 373924829 /nfs/dbraw/zinc/92/48/29/373924829.db2.gz RFGIZCASWCFYQQ-IVZWLZJFSA-N 0 3 257.334 -1.060 20 0 CAADHN CN[C@@H](C)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000564470768 373928907 /nfs/dbraw/zinc/92/89/07/373928907.db2.gz MLIXWSJJSOBFKN-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN C[C@@H]1CN([C@H]2CC(=O)N(CCN(C)C)C2=O)CC(=O)N1 ZINC000556124492 373928997 /nfs/dbraw/zinc/92/89/97/373928997.db2.gz JZEUFNABAYZFIB-ZJUUUORDSA-N 0 3 282.344 -1.504 20 0 CAADHN O=C(NC[C@@H]1CCC(=O)N1)[C@@H]1CN2CCN1CCC2 ZINC000619140147 373930235 /nfs/dbraw/zinc/93/02/35/373930235.db2.gz RNFMHGNRPAMLSR-QWRGUYRKSA-N 0 3 266.345 -1.229 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)C1CCC1 ZINC000564905779 373931845 /nfs/dbraw/zinc/93/18/45/373931845.db2.gz RRBLJBPATPLNRJ-JQWIXIFHSA-N 0 3 296.371 -1.033 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000564896186 373931893 /nfs/dbraw/zinc/93/18/93/373931893.db2.gz GWTGFSGEKRONDI-FOGDFJRCSA-N 0 3 273.333 -1.234 20 0 CAADHN Cn1cc(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)cn1 ZINC000564944406 373933141 /nfs/dbraw/zinc/93/31/41/373933141.db2.gz UMBYUYNYTIWNBB-JTQLQIEISA-N 0 3 265.317 -1.296 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN)CCO)CO1 ZINC000564977932 373933237 /nfs/dbraw/zinc/93/32/37/373933237.db2.gz BFUYKRSYQDUSLW-RKDXNWHRSA-N 0 3 259.306 -1.940 20 0 CAADHN COCCNCCNC(=O)N1CCN(C)C(=O)C1 ZINC000565095299 373933305 /nfs/dbraw/zinc/93/33/05/373933305.db2.gz URMVQZYXNJQCCC-UHFFFAOYSA-N 0 3 258.322 -1.294 20 0 CAADHN CC[C@H](N)C(=O)N1CCNC(=O)[C@H]1CC(=O)OC ZINC000564996292 373933591 /nfs/dbraw/zinc/93/35/91/373933591.db2.gz SFEJPKFEDJEDMR-JGVFFNPUSA-N 0 3 257.290 -1.386 20 0 CAADHN O=C(CN1CCNC[C@@H]1C(F)F)N1CCNC(=O)C1 ZINC000564986450 373933659 /nfs/dbraw/zinc/93/36/59/373933659.db2.gz PKEYTGQUSKZWSL-MRVPVSSYSA-N 0 3 276.287 -1.516 20 0 CAADHN N[C@H]1C[C@H]2CN(S(=O)(=O)N3CCCC3)CCN2C1=O ZINC000565240596 373936068 /nfs/dbraw/zinc/93/60/68/373936068.db2.gz YYSRUHLFKFPNGZ-UWVGGRQHSA-N 0 3 288.373 -1.429 20 0 CAADHN O=C(CN1CCNCC1=O)N[C@@H]1CNCCC1(F)F ZINC000565303505 373936482 /nfs/dbraw/zinc/93/64/82/373936482.db2.gz VNNAOQYJNIRMNR-MRVPVSSYSA-N 0 3 276.287 -1.468 20 0 CAADHN C[C@H](NC(=O)c1ncn(C)n1)C(=O)NCCN(C)C ZINC000565204731 373936518 /nfs/dbraw/zinc/93/65/18/373936518.db2.gz MDZGKOXAWLWDKM-QMMMGPOBSA-N 0 3 268.321 -1.389 20 0 CAADHN O=C(CN1CCNCC1=O)N[C@H]1CNCCC1(F)F ZINC000565303518 373936857 /nfs/dbraw/zinc/93/68/57/373936857.db2.gz VNNAOQYJNIRMNR-QMMMGPOBSA-N 0 3 276.287 -1.468 20 0 CAADHN C[C@H](NC(=O)[C@@]1(O)CCOC1)C(=O)NCCN(C)C ZINC000565206415 373937037 /nfs/dbraw/zinc/93/70/37/373937037.db2.gz SQWDRMGFWFZQQF-JOYOIKCWSA-N 0 3 273.333 -1.680 20 0 CAADHN COC(=O)CNC(=O)CCN1CC[C@@H](CO)[C@H](O)C1 ZINC000565446018 373938263 /nfs/dbraw/zinc/93/82/63/373938263.db2.gz URVJBVVDUGVTEQ-VHSXEESVSA-N 0 3 274.317 -1.659 20 0 CAADHN CCS(=O)(=O)NCC(=O)N1CCN(C)C[C@H]1CN ZINC000565479912 373939118 /nfs/dbraw/zinc/93/91/18/373939118.db2.gz QETXCXFIENHPNV-SECBINFHSA-N 0 3 278.378 -1.973 20 0 CAADHN COC(=O)CNC(=O)CCN1CC[C@H](CO)[C@H](O)C1 ZINC000565445994 373939154 /nfs/dbraw/zinc/93/91/54/373939154.db2.gz URVJBVVDUGVTEQ-NXEZZACHSA-N 0 3 274.317 -1.659 20 0 CAADHN C[C@H]1OCCN[C@@H]1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565550591 373939441 /nfs/dbraw/zinc/93/94/41/373939441.db2.gz SJZPWKCFJAWDIP-DBIOUOCHSA-N 0 3 282.344 -1.866 20 0 CAADHN C[C@H](NC(=O)CN1CCOCC1)C(=O)NCCN(C)C ZINC000565708498 373939644 /nfs/dbraw/zinc/93/96/44/373939644.db2.gz RSSNRSFHWMPKFR-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN O=C1[C@@H](NC[C@H](O)Cn2cccn2)CCCN1CCO ZINC000565716250 373940823 /nfs/dbraw/zinc/94/08/23/373940823.db2.gz ARSNCPIQVAFQDS-RYUDHWBXSA-N 0 3 282.344 -1.183 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CCN(CC(N)=O)CC2)C1 ZINC000565724339 373941090 /nfs/dbraw/zinc/94/10/90/373941090.db2.gz GIZADJFCWITPLX-NSHDSACASA-N 0 3 268.361 -1.042 20 0 CAADHN COCCNCC(=O)N1CCC[C@H](O)[C@H]1C(=O)OC ZINC000565951119 373941129 /nfs/dbraw/zinc/94/11/29/373941129.db2.gz DSOZMPMIOBVZHW-ONGXEEELSA-N 0 3 274.317 -1.253 20 0 CAADHN COCCNCC(=O)N1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000565951117 373941281 /nfs/dbraw/zinc/94/12/81/373941281.db2.gz DSOZMPMIOBVZHW-MWLCHTKSSA-N 0 3 274.317 -1.253 20 0 CAADHN CSC[C@@H](O)CN[C@H](CO)CN1CCOCC1 ZINC000565833518 373941490 /nfs/dbraw/zinc/94/14/90/373941490.db2.gz HPNFBTXBGNGDKK-QWRGUYRKSA-N 0 3 264.391 -1.007 20 0 CAADHN CC1(C)COCCN1CCNC(=O)C(=O)NC1CNC1 ZINC000565882736 373942069 /nfs/dbraw/zinc/94/20/69/373942069.db2.gz PUJOEYFJNWTLDC-UHFFFAOYSA-N 0 3 284.360 -1.699 20 0 CAADHN C[C@H]1NCCN(C(=O)NCC(=O)N2CCNCC2)[C@@H]1C ZINC000565999849 373942145 /nfs/dbraw/zinc/94/21/45/373942145.db2.gz NFLLTRPJGTUUHC-GHMZBOCLSA-N 0 3 283.376 -1.190 20 0 CAADHN CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](CN)OC)C1 ZINC000565832297 373942266 /nfs/dbraw/zinc/94/22/66/373942266.db2.gz QJNGJUGHMCTQJE-BDAKNGLRSA-N 0 3 279.362 -1.500 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)CCO1 ZINC000578995080 373994811 /nfs/dbraw/zinc/99/48/11/373994811.db2.gz VAVSTMKATCSRPE-MNOVXSKESA-N 0 3 284.360 -1.665 20 0 CAADHN CCNC(=O)NC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578906384 373995359 /nfs/dbraw/zinc/99/53/59/373995359.db2.gz NVOOLAOGQMDFNE-RKDXNWHRSA-N 0 3 283.332 -1.924 20 0 CAADHN Cc1n[nH]cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578787526 373995626 /nfs/dbraw/zinc/99/56/26/373995626.db2.gz RKFMBWTXALATDS-RKDXNWHRSA-N 0 3 299.356 -1.349 20 0 CAADHN C[C@@H]([NH3+])[C@H](C)NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000578866737 373995833 /nfs/dbraw/zinc/99/58/33/373995833.db2.gz VDMFRJWHPIOJNJ-SFYZADRCSA-N 0 3 289.361 -1.450 20 0 CAADHN CCCN(C)S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000578787426 373995937 /nfs/dbraw/zinc/99/59/37/373995937.db2.gz OHWWFPNOGFQBLO-VHSXEESVSA-N 0 3 290.389 -1.183 20 0 CAADHN Cc1n[nH]cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578787525 373996576 /nfs/dbraw/zinc/99/65/76/373996576.db2.gz RKFMBWTXALATDS-IUCAKERBSA-N 0 3 299.356 -1.349 20 0 CAADHN CN1CCN(C(=O)CNC(=O)C2CC2)[C@H](CN)C1 ZINC000578889139 373996650 /nfs/dbraw/zinc/99/66/50/373996650.db2.gz BSNYVCCDXYPDSL-SNVBAGLBSA-N 0 3 254.334 -1.386 20 0 CAADHN COCCCS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579004897 373997558 /nfs/dbraw/zinc/99/75/58/373997558.db2.gz ADHBCAQRZFONQM-ZJUUUORDSA-N 0 3 291.373 -1.404 20 0 CAADHN COC[C@H](C)CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000579217212 373997791 /nfs/dbraw/zinc/99/77/91/373997791.db2.gz YXGJEAUEBRKNST-MNOVXSKESA-N 0 3 286.376 -1.514 20 0 CAADHN CCN1CCN(CCC(=O)N2CC(=O)N(C)C(=O)C2)CC1 ZINC000579244276 373998021 /nfs/dbraw/zinc/99/80/21/373998021.db2.gz OHEISUCIRHMQSH-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN CC1(CNC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000579007464 373998199 /nfs/dbraw/zinc/99/81/99/373998199.db2.gz OCOHRHDMNPMRQK-VHSXEESVSA-N 0 3 294.355 -1.327 20 0 CAADHN CN1C[C@H](NC(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000579215908 373998252 /nfs/dbraw/zinc/99/82/52/373998252.db2.gz OKPVMLQHTVWRRD-NXEZZACHSA-N 0 3 269.349 -1.499 20 0 CAADHN COC[C@H](C)CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000579217211 373998343 /nfs/dbraw/zinc/99/83/43/373998343.db2.gz YXGJEAUEBRKNST-GHMZBOCLSA-N 0 3 286.376 -1.514 20 0 CAADHN COC[C@@H](C)CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000579217213 373998411 /nfs/dbraw/zinc/99/84/11/373998411.db2.gz YXGJEAUEBRKNST-QWRGUYRKSA-N 0 3 286.376 -1.514 20 0 CAADHN CN1CCN(C(=O)C(=O)NCCOCC2CC2)[C@@H](CN)C1 ZINC000579212302 373998566 /nfs/dbraw/zinc/99/85/66/373998566.db2.gz WDKYDUVWSWDLIY-LBPRGKRZSA-N 0 3 298.387 -1.370 20 0 CAADHN CNC(=O)N[C@H]1CCN(C[C@H](O)CN(C)CCOC)C1 ZINC000579489516 373999956 /nfs/dbraw/zinc/99/99/56/373999956.db2.gz WEMMHTCVPKLWBT-NWDGAFQWSA-N 0 3 288.392 -1.071 20 0 CAADHN CC(C)NS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579495537 374000304 /nfs/dbraw/zinc/00/03/04/374000304.db2.gz DUGWJTFXBCKJHD-RKDXNWHRSA-N 0 3 276.362 -1.527 20 0 CAADHN COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000579373460 374000360 /nfs/dbraw/zinc/00/03/60/374000360.db2.gz VQUILCBRFPONBY-AEJSXWLSSA-N 0 3 285.344 -1.022 20 0 CAADHN CC(C)NS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579495534 374000767 /nfs/dbraw/zinc/00/07/67/374000767.db2.gz DUGWJTFXBCKJHD-BDAKNGLRSA-N 0 3 276.362 -1.527 20 0 CAADHN CNC(=O)N[C@@H]1CCN(C[C@H](O)CN(C)CCOC)C1 ZINC000579489518 374000827 /nfs/dbraw/zinc/00/08/27/374000827.db2.gz WEMMHTCVPKLWBT-VXGBXAGGSA-N 0 3 288.392 -1.071 20 0 CAADHN CNC(=O)N[C@@H]1CCN(C[C@@H](O)CN(C)CCOC)C1 ZINC000579489515 374000915 /nfs/dbraw/zinc/00/09/15/374000915.db2.gz WEMMHTCVPKLWBT-NEPJUHHUSA-N 0 3 288.392 -1.071 20 0 CAADHN CO[C@@H](CN)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000353150886 374001251 /nfs/dbraw/zinc/00/12/51/374001251.db2.gz NQDIHAGSUXTKQB-IUCAKERBSA-N 0 3 279.362 -1.500 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)[C@H](CN)C1 ZINC000579354912 374001384 /nfs/dbraw/zinc/00/13/84/374001384.db2.gz ILHAIZVCXMZLEV-GHMZBOCLSA-N 0 3 283.376 -1.122 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000579590479 374002519 /nfs/dbraw/zinc/00/25/19/374002519.db2.gz KJVVXFISFMVJQU-RYUDHWBXSA-N 0 3 298.387 -1.370 20 0 CAADHN CN1C[C@@H](C(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000579593625 374002896 /nfs/dbraw/zinc/00/28/96/374002896.db2.gz XGACWIJPRNBFMI-UWVGGRQHSA-N 0 3 254.334 -1.434 20 0 CAADHN CN1C[C@H](C(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000579593624 374003123 /nfs/dbraw/zinc/00/31/23/374003123.db2.gz XGACWIJPRNBFMI-NXEZZACHSA-N 0 3 254.334 -1.434 20 0 CAADHN CC(C)N1C(=O)CN(C(=O)C(=O)NC2CNC2)CC1(C)C ZINC000579692530 374003142 /nfs/dbraw/zinc/00/31/42/374003142.db2.gz HFCKAICNUUARJW-UHFFFAOYSA-N 0 3 296.371 -1.068 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN(C)C(=O)C1 ZINC000579669016 374003401 /nfs/dbraw/zinc/00/34/01/374003401.db2.gz JLTFDYJGMJKEKM-NSHDSACASA-N 0 3 259.350 -1.301 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CCN(C(=O)CO)CC2)C1 ZINC000579610796 374003858 /nfs/dbraw/zinc/00/38/58/374003858.db2.gz KKTCJHSALNCCPW-NSHDSACASA-N 0 3 269.345 -1.009 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000579590477 374003978 /nfs/dbraw/zinc/00/39/78/374003978.db2.gz KJVVXFISFMVJQU-NEPJUHHUSA-N 0 3 298.387 -1.370 20 0 CAADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000579609813 374004084 /nfs/dbraw/zinc/00/40/84/374004084.db2.gz JSSUMBGSPZRLDQ-VGDYDELISA-N 0 3 299.371 -1.605 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CCN(C(=O)CO)CC2)C1 ZINC000579610795 374004210 /nfs/dbraw/zinc/00/42/10/374004210.db2.gz KKTCJHSALNCCPW-LLVKDONJSA-N 0 3 269.345 -1.009 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN2C(=O)NC[C@@H]2C1 ZINC000579549999 374004358 /nfs/dbraw/zinc/00/43/58/374004358.db2.gz YPTCIVIKANVKAE-NEPJUHHUSA-N 0 3 286.376 -1.365 20 0 CAADHN CN[C@@H](C)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000579734149 374005727 /nfs/dbraw/zinc/00/57/27/374005727.db2.gz RXJNPHQJXPUZDA-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CCOCC[C@H](O)CNCCS(=O)(=O)NC ZINC000579829223 374005915 /nfs/dbraw/zinc/00/59/15/374005915.db2.gz XYHIMESLURNWHS-VIFPVBQESA-N 0 3 254.352 -1.087 20 0 CAADHN COC(=O)CCNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000579853319 374006328 /nfs/dbraw/zinc/00/63/28/374006328.db2.gz MBAWHIJJWCUPLJ-ZJUUUORDSA-N 0 3 298.343 -2.091 20 0 CAADHN O=C(C[C@@H]1COCCN1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000579949940 374008074 /nfs/dbraw/zinc/00/80/74/374008074.db2.gz JNRHDCZBTFSRNO-SECBINFHSA-N 0 3 295.347 -1.469 20 0 CAADHN COC[C@@H](O)CN[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000580710442 374008195 /nfs/dbraw/zinc/00/81/95/374008195.db2.gz ZYVIHKYQVWLMFI-MNOVXSKESA-N 0 3 295.405 -1.146 20 0 CAADHN N[C@H](C(=O)NCC(=O)NCCN1CCOCC1)C1CCC1 ZINC000580890845 374009580 /nfs/dbraw/zinc/00/95/80/374009580.db2.gz ATTPPMUKPZTYAA-ZDUSSCGKSA-N 0 3 298.387 -1.322 20 0 CAADHN C[C@H](NC(=O)C1(C(N)=O)CCC1)C(=O)NCCN(C)C ZINC000580962059 374009883 /nfs/dbraw/zinc/00/98/83/374009883.db2.gz LOOASEJPHWCDBZ-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CN1CCN(C(=O)C(=O)N[C@H]2CCSC2)[C@H](CN)C1 ZINC000580882582 374010113 /nfs/dbraw/zinc/01/01/13/374010113.db2.gz DMSMRUOLWDBNHR-VHSXEESVSA-N 0 3 286.401 -1.291 20 0 CAADHN CCN1CCN(CCC(=O)N2CC(O)(CO)C2)CC1 ZINC000615428520 374011536 /nfs/dbraw/zinc/01/15/36/374011536.db2.gz HSDZZPBPEFZQOS-UHFFFAOYSA-N 0 3 271.361 -1.420 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC(O)(CO)C2)CC1=O ZINC000615427097 374011757 /nfs/dbraw/zinc/01/17/57/374011757.db2.gz JXTCAESGEVMKCJ-SNVBAGLBSA-N 0 3 285.344 -2.038 20 0 CAADHN O=C(NC[C@H]1CCCN1CCCO)[C@@H]1CC(=O)NC(=O)N1 ZINC000615479426 374017375 /nfs/dbraw/zinc/01/73/75/374017375.db2.gz DBOOWZPAVWRCCC-ZJUUUORDSA-N 0 3 298.343 -1.453 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCCO)[C@@H]1CC(=O)NC(=O)N1 ZINC000615479424 374018098 /nfs/dbraw/zinc/01/80/98/374018098.db2.gz DBOOWZPAVWRCCC-UWVGGRQHSA-N 0 3 298.343 -1.453 20 0 CAADHN Nc1nc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)nc2n[nH]cc21 ZINC000568257351 373966529 /nfs/dbraw/zinc/96/65/29/373966529.db2.gz KBDKLCSHKAZFHN-HTRCEHHLSA-N 0 3 288.315 -1.535 20 0 CAADHN CN1CCC(NC(=O)C(=O)N2CCN(C)C(=O)C2)CC1 ZINC000568160862 373967705 /nfs/dbraw/zinc/96/77/05/373967705.db2.gz BAVSTCMLNUUTQF-UHFFFAOYSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@@H](NC(=O)C(=O)NCC(F)F)C(=O)NCCN(C)C ZINC000568222027 373967789 /nfs/dbraw/zinc/96/77/89/373967789.db2.gz HMYMSQYALHIDDT-SSDOTTSWSA-N 0 3 294.302 -1.450 20 0 CAADHN CCOCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568291994 373969135 /nfs/dbraw/zinc/96/91/35/373969135.db2.gz AEFHAVLJJFAAGV-VHSXEESVSA-N 0 3 298.343 -2.091 20 0 CAADHN CN[C@@H](CC(C)(C)C)C(=O)NC(C(N)=O)C(N)=O ZINC000568505804 373969197 /nfs/dbraw/zinc/96/91/97/373969197.db2.gz DKCHNJMJLLDQAP-LURJTMIESA-N 0 3 258.322 -1.534 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)C[C@@H]1O ZINC000568448293 373970380 /nfs/dbraw/zinc/97/03/80/373970380.db2.gz FECQHUVHKKKMMV-IUCAKERBSA-N 0 3 298.343 -1.550 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568267190 373970478 /nfs/dbraw/zinc/97/04/78/373970478.db2.gz CDJJXRKZWWLMPT-BBBLOLIVSA-N 0 3 254.334 -1.293 20 0 CAADHN O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000615656719 374021399 /nfs/dbraw/zinc/02/13/99/374021399.db2.gz IFQZTCVYJSSKRU-ZJUUUORDSA-N 0 3 298.343 -1.453 20 0 CAADHN Cn1cc(C(N)=O)cc1C(=O)N1CCN(C)C[C@H]1CN ZINC000568864588 373972024 /nfs/dbraw/zinc/97/20/24/373972024.db2.gz YNTKPRQXLHGDRL-SNVBAGLBSA-N 0 3 279.344 -1.161 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NCC3CCC3)CCN2C1=O ZINC000568782999 373972257 /nfs/dbraw/zinc/97/22/57/373972257.db2.gz JPOBFUUCLGEPRD-WDEREUQCSA-N 0 3 294.355 -1.327 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)CCNC(C)=O ZINC000568659489 373972320 /nfs/dbraw/zinc/97/23/20/373972320.db2.gz BDUKQPPXFFQADT-GFCCVEGCSA-N 0 3 261.366 -1.007 20 0 CAADHN C[C@@H](CN1CCOCC1)NC(=O)N1CCN(C)C[C@H]1CN ZINC000569202524 373973894 /nfs/dbraw/zinc/97/38/94/373973894.db2.gz HMVHNNQVFDNOHZ-QWHCGFSZSA-N 0 3 299.419 -1.009 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)CN3CCOCC3)CCN2C1=O ZINC000569001660 373974832 /nfs/dbraw/zinc/97/48/32/373974832.db2.gz HJWFJPOVGLHIRQ-QWRGUYRKSA-N 0 3 282.344 -1.911 20 0 CAADHN C[C@H](CN1CCOCC1)NC(=O)N1CCN(C)C[C@H]1CN ZINC000569202520 373975069 /nfs/dbraw/zinc/97/50/69/373975069.db2.gz HMVHNNQVFDNOHZ-CHWSQXEVSA-N 0 3 299.419 -1.009 20 0 CAADHN COC(=O)CN1CCC[C@@H](CNC(=O)[C@H](CN)OC)C1 ZINC000568982086 373975423 /nfs/dbraw/zinc/97/54/23/373975423.db2.gz FMLUQXPLEKRNPU-QWRGUYRKSA-N 0 3 287.360 -1.039 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000569215950 373975524 /nfs/dbraw/zinc/97/55/24/373975524.db2.gz DORCZXLMCWZSGY-ZJUUUORDSA-N 0 3 280.328 -1.656 20 0 CAADHN CN1CCNC[C@@H]1CNC(=O)C1(S(C)(=O)=O)CCC1 ZINC000572869706 373977263 /nfs/dbraw/zinc/97/72/63/373977263.db2.gz KFBHKGLEUITEMV-SNVBAGLBSA-N 0 3 289.401 -1.027 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000572958842 373978122 /nfs/dbraw/zinc/97/81/22/373978122.db2.gz NEXMESZPEKQXPR-RYUDHWBXSA-N 0 3 268.361 -1.044 20 0 CAADHN CCOCCNC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000572618046 373978278 /nfs/dbraw/zinc/97/82/78/373978278.db2.gz PLHUDKLTPRGYLB-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN COCCN(CCN(C)C)C(=O)[C@H](CO)NC(N)=O ZINC000572724215 373978446 /nfs/dbraw/zinc/97/84/46/373978446.db2.gz HFTJKBDJAXGYBB-VIFPVBQESA-N 0 3 276.337 -1.948 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@H]2CCCCN2CCO)NC1=O ZINC000615657152 374021724 /nfs/dbraw/zinc/02/17/24/374021724.db2.gz NKFRKCTVDGKFGI-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN O=C(COC1CNC1)N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000573089217 373979220 /nfs/dbraw/zinc/97/92/20/373979220.db2.gz IKAWDJNLAXJLRL-LLVKDONJSA-N 0 3 296.371 -1.602 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)CN3CCNCC3=O)CCN2C1=O ZINC000573021597 373979679 /nfs/dbraw/zinc/97/96/79/373979679.db2.gz FQLAVXVBJQRZGU-VHSXEESVSA-N 0 3 295.343 -2.811 20 0 CAADHN NC(C(=O)NCC(=O)N1CCNCC1)C(F)(F)F ZINC000573204822 373979980 /nfs/dbraw/zinc/97/99/80/373979980.db2.gz OQLXWUGTEZUZCE-ZETCQYMHSA-N 0 3 268.239 -1.576 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)CCOC1CNC1 ZINC000573319466 373980098 /nfs/dbraw/zinc/98/00/98/373980098.db2.gz KHOIPXHJWKNZGO-UHFFFAOYSA-N 0 3 284.360 -1.745 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)CN3CCNCC3=O)CCN2C1=O ZINC000573021598 373980155 /nfs/dbraw/zinc/98/01/55/373980155.db2.gz FQLAVXVBJQRZGU-ZJUUUORDSA-N 0 3 295.343 -2.811 20 0 CAADHN NC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000573121434 373980411 /nfs/dbraw/zinc/98/04/11/373980411.db2.gz BLDQOVFFPATILQ-JTQLQIEISA-N 0 3 254.334 -1.385 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)CN3CCNCC3=O)CCN2C1=O ZINC000573021596 373980457 /nfs/dbraw/zinc/98/04/57/373980457.db2.gz FQLAVXVBJQRZGU-UWVGGRQHSA-N 0 3 295.343 -2.811 20 0 CAADHN N[C@@H]1C[C@@H]2CN(C(=O)CN3CCNCC3=O)CCN2C1=O ZINC000573021595 373980910 /nfs/dbraw/zinc/98/09/10/373980910.db2.gz FQLAVXVBJQRZGU-NXEZZACHSA-N 0 3 295.343 -2.811 20 0 CAADHN C[C@H](NC1CC1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573267379 373980992 /nfs/dbraw/zinc/98/09/92/373980992.db2.gz GRCMTRMZFZVTSX-JMJZKYOTSA-N 0 3 266.345 -1.103 20 0 CAADHN COCCN(C)C[C@@H](O)CN1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000573309960 373981089 /nfs/dbraw/zinc/98/10/89/373981089.db2.gz MYZXNXIOHZUBQV-UTUOFQBUSA-N 0 3 289.376 -1.500 20 0 CAADHN CN(C(=O)CN1CC(=O)[N-]C1=O)[C@H](C[NH3+])C1CC1 ZINC000573443231 373982130 /nfs/dbraw/zinc/98/21/30/373982130.db2.gz AJZWHFXTVTZDGZ-MRVPVSSYSA-N 0 3 254.290 -1.266 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCN(CCO)[C@@H](C)C1 ZINC000573622106 373982333 /nfs/dbraw/zinc/98/23/33/373982333.db2.gz XOWLWFIJTQAXNR-KBPBESRZSA-N 0 3 289.420 -1.076 20 0 CAADHN CC(C)[C@H]1CN(C(=O)C(=O)NC2CNC2)CCN1C ZINC000573701854 373982486 /nfs/dbraw/zinc/98/24/86/373982486.db2.gz KEIGPXDPYBNDPZ-LLVKDONJSA-N 0 3 268.361 -1.127 20 0 CAADHN Cn1ccc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCN2C)n1 ZINC000573683955 373982728 /nfs/dbraw/zinc/98/27/28/373982728.db2.gz PHGWCPSZHZYWKR-SECBINFHSA-N 0 3 273.362 -1.398 20 0 CAADHN COC[C@@H](NC(=O)CCOC1CNC1)C(=O)OC ZINC000573918306 373983907 /nfs/dbraw/zinc/98/39/07/373983907.db2.gz YWPCYTKNLUNXGD-SECBINFHSA-N 0 3 260.290 -1.331 20 0 CAADHN CCNC(=O)NC(=O)[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000574055392 373984005 /nfs/dbraw/zinc/98/40/05/373984005.db2.gz WDEOQECZZODSAQ-AEJSXWLSSA-N 0 3 297.359 -1.536 20 0 CAADHN COC(=O)c1cn(CC(=O)N2CCN(C)C[C@@H]2CN)nn1 ZINC000573967101 373984087 /nfs/dbraw/zinc/98/40/87/373984087.db2.gz QSBJERGPIMWGLD-VIFPVBQESA-N 0 3 296.331 -1.834 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CCN(C)C(=O)C1 ZINC000574069226 373984478 /nfs/dbraw/zinc/98/44/78/373984478.db2.gz AVGMOLGFOXVGQO-NSHDSACASA-N 0 3 296.371 -1.160 20 0 CAADHN CC(=O)N1CCC[C@@](O)(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000574053198 373984614 /nfs/dbraw/zinc/98/46/14/373984614.db2.gz MWOKFPOGUZXLGU-OBJOEFQTSA-N 0 3 299.371 -1.507 20 0 CAADHN C[C@H](O)CN(CCO)C[C@@H](O)CN1CCOCC1 ZINC000336793462 373986104 /nfs/dbraw/zinc/98/61/04/373986104.db2.gz WUJTYYCFHYOZOJ-RYUDHWBXSA-N 0 3 262.350 -1.645 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)N3CCOCC3)CCN2C1=O ZINC000577866879 373986836 /nfs/dbraw/zinc/98/68/36/373986836.db2.gz IBYVVZNTJBMPBU-ZJUUUORDSA-N 0 3 268.317 -1.318 20 0 CAADHN C[N@H+](C[C@@H](O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1)C1CC1 ZINC000577988386 373989178 /nfs/dbraw/zinc/98/91/78/373989178.db2.gz OFAQQXYHNSFGTD-GHMZBOCLSA-N 0 3 282.344 -1.323 20 0 CAADHN C[N@@H+](C[C@@H](O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1)C1CC1 ZINC000577988386 373989182 /nfs/dbraw/zinc/98/91/82/373989182.db2.gz OFAQQXYHNSFGTD-GHMZBOCLSA-N 0 3 282.344 -1.323 20 0 CAADHN CC(=O)NCCN(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000578235939 373990392 /nfs/dbraw/zinc/99/03/92/373990392.db2.gz KBIHQQQUARHACK-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@H](CN)OC ZINC000578324602 373990570 /nfs/dbraw/zinc/99/05/70/373990570.db2.gz PEMRVRKLPAFEMP-CIUDSAMLSA-N 0 3 260.290 -1.515 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCC[C@@H]2CN)CC1=O ZINC000578231140 373990942 /nfs/dbraw/zinc/99/09/42/373990942.db2.gz JOWIJKZCJNPTLE-SECBINFHSA-N 0 3 268.317 -1.763 20 0 CAADHN CN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000578348230 373991060 /nfs/dbraw/zinc/99/10/60/373991060.db2.gz ZXMMOQJTQCJWPR-VXGBXAGGSA-N 0 3 298.387 -1.275 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@@H]2CNCCO2)C1 ZINC000578236296 373991409 /nfs/dbraw/zinc/99/14/09/373991409.db2.gz IHSLJSIFFJUFQD-QWRGUYRKSA-N 0 3 257.334 -1.188 20 0 CAADHN CN(C[C@H]1CCCO1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000578348229 373991422 /nfs/dbraw/zinc/99/14/22/373991422.db2.gz ZXMMOQJTQCJWPR-NWDGAFQWSA-N 0 3 298.387 -1.275 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2COC[C@H]2O)C[C@H](C)O1 ZINC000578443130 373993194 /nfs/dbraw/zinc/99/31/94/373993194.db2.gz WZRSYYHTCUZEFU-OBPIAQAESA-N 0 3 274.361 -1.194 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2COC[C@H]2O)C[C@H](C)O1 ZINC000578443129 373993547 /nfs/dbraw/zinc/99/35/47/373993547.db2.gz WZRSYYHTCUZEFU-NZEXEKPDSA-N 0 3 274.361 -1.194 20 0 CAADHN CO[C@H](C)CS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578550348 373993729 /nfs/dbraw/zinc/99/37/29/373993729.db2.gz DEMMEMPVZWIVRW-OPRDCNLKSA-N 0 3 291.373 -1.405 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N1CCOCC1)C1CC1 ZINC000312075671 374077424 /nfs/dbraw/zinc/07/74/24/374077424.db2.gz QAEFLMAVEKRRHA-LBPRGKRZSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@H](C)[C@@H](CO)C1 ZINC000621846599 374078676 /nfs/dbraw/zinc/07/86/76/374078676.db2.gz GBTILGRZZMZCNW-IVZWLZJFSA-N 0 3 257.334 -1.073 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)NC2CNC2)C[C@@H]1CO ZINC000621846872 374078855 /nfs/dbraw/zinc/07/88/55/374078855.db2.gz MZGZVDILCPNGNV-DTWKUNHWSA-N 0 3 255.318 -1.449 20 0 CAADHN CCN(C)C(=O)CNC(=O)C(=O)N(CC)CCN ZINC000627334831 374078963 /nfs/dbraw/zinc/07/89/63/374078963.db2.gz BTSIGEKCTSRTEK-UHFFFAOYSA-N 0 3 258.322 -1.612 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C)[C@H](CO)C1 ZINC000621846598 374079102 /nfs/dbraw/zinc/07/91/02/374079102.db2.gz GBTILGRZZMZCNW-BBBLOLIVSA-N 0 3 257.334 -1.073 20 0 CAADHN CC(=O)N1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000621851995 374079230 /nfs/dbraw/zinc/07/92/30/374079230.db2.gz KIYZRPMBSKWUEU-NEPJUHHUSA-N 0 3 283.376 -1.109 20 0 CAADHN C[C@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)C ZINC000046271590 374031012 /nfs/dbraw/zinc/03/10/12/374031012.db2.gz PGBJBYRIFROLBG-MRVPVSSYSA-N 0 3 251.352 -1.056 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C[C@@H]21 ZINC000615851244 374033261 /nfs/dbraw/zinc/03/32/61/374033261.db2.gz XFPWHFZIAFKLRJ-YHALQVAKSA-N 0 3 282.340 -1.438 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C[C@@H]21 ZINC000615850802 374034577 /nfs/dbraw/zinc/03/45/77/374034577.db2.gz SOYVDMFTVSFIPV-VGMNWLOBSA-N 0 3 266.301 -1.253 20 0 CAADHN CCN1CCC(NC(=O)CN(CCO)CCO)CC1 ZINC000072939785 374040247 /nfs/dbraw/zinc/04/02/47/374040247.db2.gz XCJKTJMMSKBCRX-UHFFFAOYSA-N 0 3 273.377 -1.127 20 0 CAADHN CN1C(=O)CC[C@@H](NC[C@H](O)CN2CCOCC2)C1=O ZINC000090029861 374043482 /nfs/dbraw/zinc/04/34/82/374043482.db2.gz ZRIOELWEGCYRCX-WDEREUQCSA-N 0 3 285.344 -1.584 20 0 CAADHN CC(C)CN1CCO[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000623809438 374043509 /nfs/dbraw/zinc/04/35/09/374043509.db2.gz CVUYVIUYMRACJB-SECBINFHSA-N 0 3 281.364 -1.113 20 0 CAADHN CNC(=O)c1cc(S(=O)(=O)NC2CNC2)cn1C ZINC000090289328 374043582 /nfs/dbraw/zinc/04/35/82/374043582.db2.gz LWDYKLXCCGTCTP-UHFFFAOYSA-N 0 3 272.330 -1.365 20 0 CAADHN CN1C(=O)CC[C@H](NC[C@H](O)Cn2cccn2)C1=O ZINC000090030502 374043823 /nfs/dbraw/zinc/04/38/23/374043823.db2.gz GFKGMQKDGJUYJI-UWVGGRQHSA-N 0 3 266.301 -1.019 20 0 CAADHN CC(C)CN1CCO[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000623809439 374044179 /nfs/dbraw/zinc/04/41/79/374044179.db2.gz CVUYVIUYMRACJB-VIFPVBQESA-N 0 3 281.364 -1.113 20 0 CAADHN CN1C(=O)CC[C@H](NC[C@@H](O)CN2CCOCC2)C1=O ZINC000090029862 374044257 /nfs/dbraw/zinc/04/42/57/374044257.db2.gz ZRIOELWEGCYRCX-MNOVXSKESA-N 0 3 285.344 -1.584 20 0 CAADHN CN(C)CC(C)(C)NC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000616188282 374045766 /nfs/dbraw/zinc/04/57/66/374045766.db2.gz RJFLFKPERGILLS-GMTAPVOTSA-N 0 3 272.345 -1.144 20 0 CAADHN CNC(=O)CN1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000091300629 374046061 /nfs/dbraw/zinc/04/60/61/374046061.db2.gz KKDYPFKZOKVHLA-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1COCCO1 ZINC000618304341 374049501 /nfs/dbraw/zinc/04/95/01/374049501.db2.gz WZSYTASBNMTYND-NSHDSACASA-N 0 3 287.360 -1.120 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Cn1cnnn1 ZINC000618302485 374049693 /nfs/dbraw/zinc/04/96/93/374049693.db2.gz SEOARTLLYROSEY-UHFFFAOYSA-N 0 3 283.336 -1.849 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCc1cnc(N(C)C)n1C ZINC000627294681 374050344 /nfs/dbraw/zinc/05/03/44/374050344.db2.gz HKEXXGFZAMBNNH-UHFFFAOYSA-N 0 3 296.375 -1.091 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000618300214 374050465 /nfs/dbraw/zinc/05/04/65/374050465.db2.gz QIQKGJRGMQWZGN-JTQLQIEISA-N 0 3 299.375 -1.512 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCNC(=O)C1 ZINC000618307150 374050513 /nfs/dbraw/zinc/05/05/13/374050513.db2.gz YJVIPSMRABZTED-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCn1cccn1 ZINC000627293812 374050560 /nfs/dbraw/zinc/05/05/60/374050560.db2.gz FBPHDSQHKFTIEU-UHFFFAOYSA-N 0 3 253.306 -1.194 20 0 CAADHN CNC(=O)CC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618307650 374050649 /nfs/dbraw/zinc/05/06/49/374050649.db2.gz NJQVAZCTSYXIST-UHFFFAOYSA-N 0 3 272.349 -1.399 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CCC(=O)NC1 ZINC000618305486 374050903 /nfs/dbraw/zinc/05/09/03/374050903.db2.gz WDNCKARHRNHTPK-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCn1ccnc1 ZINC000627300359 374053836 /nfs/dbraw/zinc/05/38/36/374053836.db2.gz XMZZWKOMFYUQLB-UHFFFAOYSA-N 0 3 253.306 -1.194 20 0 CAADHN CS(=O)(=O)N1CC[C@@H](NC(=O)CNC2CC2)C1 ZINC000400135807 374053913 /nfs/dbraw/zinc/05/39/13/374053913.db2.gz CWGUDKAKPKDQFB-SECBINFHSA-N 0 3 261.347 -1.112 20 0 CAADHN CS(=O)(=O)N1CC[C@H](NC(=O)CNC2CC2)C1 ZINC000400135812 374053928 /nfs/dbraw/zinc/05/39/28/374053928.db2.gz CWGUDKAKPKDQFB-VIFPVBQESA-N 0 3 261.347 -1.112 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@@H](O)Cn1cccn1 ZINC000405312823 374055734 /nfs/dbraw/zinc/05/57/34/374055734.db2.gz GOHLUPIFBFZAHG-SNVBAGLBSA-N 0 3 276.362 -1.275 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@H](O)Cn1cccn1 ZINC000405312822 374056017 /nfs/dbraw/zinc/05/60/17/374056017.db2.gz GOHLUPIFBFZAHG-JTQLQIEISA-N 0 3 276.362 -1.275 20 0 CAADHN NC(=O)NC(=O)CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405406617 374056619 /nfs/dbraw/zinc/05/66/19/374056619.db2.gz LUZZJGWWYKPAAJ-DTWKUNHWSA-N 0 3 256.306 -1.678 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000108298613 374056668 /nfs/dbraw/zinc/05/66/68/374056668.db2.gz QJYGGDDMXKNLBW-GFCCVEGCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC000619899041 374059429 /nfs/dbraw/zinc/05/94/29/374059429.db2.gz KLLPBWVWZUCARW-MNOVXSKESA-N 0 3 284.360 -1.033 20 0 CAADHN CCCN1CC[C@H](NC(=O)[C@@H](CO)NC(N)=O)C1 ZINC000619898045 374060470 /nfs/dbraw/zinc/06/04/70/374060470.db2.gz PAHMILFDAGALNF-DTWKUNHWSA-N 0 3 258.322 -1.384 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCN[C@@H](C(C)C)C1 ZINC000621151677 374066076 /nfs/dbraw/zinc/06/60/76/374066076.db2.gz GKCKRUSBZSOMJI-LLVKDONJSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CCN1 ZINC000621153330 374066342 /nfs/dbraw/zinc/06/63/42/374066342.db2.gz PYKWVSSLRMOEKR-VIFPVBQESA-N 0 3 268.317 -1.005 20 0 CAADHN COCCN(C)CCNC(=O)CN1CCN(C)CC1 ZINC000111596669 374066671 /nfs/dbraw/zinc/06/66/71/374066671.db2.gz SXFMAXMVBBZBRJ-UHFFFAOYSA-N 0 3 272.393 -1.072 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)[C@@H](CO)NC(N)=O)CCN1 ZINC000621156076 374067022 /nfs/dbraw/zinc/06/70/22/374067022.db2.gz SFCCBKYAOQMIAT-DTWKUNHWSA-N 0 3 258.322 -1.528 20 0 CAADHN CNC(=O)[C@@]1(C)CCN(CCS(=O)(=O)NC)C1 ZINC000621289537 374069334 /nfs/dbraw/zinc/06/93/34/374069334.db2.gz JNUPWQSNYONHIE-JTQLQIEISA-N 0 3 263.363 -1.006 20 0 CAADHN NCC(=O)NCC(=O)N1CCN(c2ccncc2)CC1 ZINC000621491032 374071672 /nfs/dbraw/zinc/07/16/72/374071672.db2.gz QNWSUMXYCLMRQB-UHFFFAOYSA-N 0 3 277.328 -1.195 20 0 CAADHN CNS(=O)(=O)CCN1CCN(CCN(C)C)C(=O)C1 ZINC000621312399 374072824 /nfs/dbraw/zinc/07/28/24/374072824.db2.gz SZGACHWRJZPMFW-UHFFFAOYSA-N 0 3 292.405 -1.759 20 0 CAADHN C[C@@H](N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000621521457 374073901 /nfs/dbraw/zinc/07/39/01/374073901.db2.gz SQHRJFIJJTVEHL-SECBINFHSA-N 0 3 278.378 -1.973 20 0 CAADHN CC(C)(N)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000621521453 374074194 /nfs/dbraw/zinc/07/41/94/374074194.db2.gz QYCOANWYIWHDCH-UHFFFAOYSA-N 0 3 292.405 -1.583 20 0 CAADHN O=C(NC[C@@H]1COCCN1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000627325758 374074866 /nfs/dbraw/zinc/07/48/66/374074866.db2.gz TUUHIHPNHDNFBG-GHMZBOCLSA-N 0 3 296.371 -1.556 20 0 CAADHN O=C(NC[C@H]1COCCN1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000627325759 374075412 /nfs/dbraw/zinc/07/54/12/374075412.db2.gz TUUHIHPNHDNFBG-MNOVXSKESA-N 0 3 296.371 -1.556 20 0 CAADHN [NH3+][C@@]12CCC[C@H]1CN(C(=O)CN1CC(=O)[N-]C1=O)C2 ZINC000621690391 374076370 /nfs/dbraw/zinc/07/63/70/374076370.db2.gz UDFFIQXKOOUNHF-QPUJVOFHSA-N 0 3 266.301 -1.122 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000627328666 374076572 /nfs/dbraw/zinc/07/65/72/374076572.db2.gz JUNSBIJXXJZCBR-UHFFFAOYSA-N 0 3 294.359 -1.034 20 0 CAADHN Nc1nc(N)nc(N[C@H]2C[C@@H]3CCCCN3C2=O)n1 ZINC000624268943 374109949 /nfs/dbraw/zinc/10/99/49/374109949.db2.gz PRDGXGXSERTXQH-BQBZGAKWSA-N 0 3 263.305 -1.316 20 0 CAADHN Nc1nc(N)nc(N[C@H]2C[C@H]3CCCCN3C2=O)n1 ZINC000624268946 374110428 /nfs/dbraw/zinc/11/04/28/374110428.db2.gz PRDGXGXSERTXQH-RQJHMYQMSA-N 0 3 263.305 -1.316 20 0 CAADHN CO[C@@H]1COCC[C@@H]1CNc1nc(N)nc(N)n1 ZINC000624250455 374110562 /nfs/dbraw/zinc/11/05/62/374110562.db2.gz SJRPDTKFCZZCSJ-RNFRBKRXSA-N 0 3 254.294 -1.418 20 0 CAADHN CS(=O)(=O)CC1(CNc2nc(N)nc(N)n2)CCC1 ZINC000624285193 374110622 /nfs/dbraw/zinc/11/06/22/374110622.db2.gz MAGDEATYTAWAPU-UHFFFAOYSA-N 0 3 286.361 -1.255 20 0 CAADHN CN(C)C(=O)[C@@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624276215 374110806 /nfs/dbraw/zinc/11/08/06/374110806.db2.gz HERAQKQBDHDISR-ZCFIWIBFSA-N 0 3 251.294 -1.389 20 0 CAADHN Cc1csc(NCCNc2nc(N)nc(N)n2)n1 ZINC000624265898 374110887 /nfs/dbraw/zinc/11/08/87/374110887.db2.gz BCRBREXDOTWLMX-UHFFFAOYSA-N 0 3 266.334 -1.171 20 0 CAADHN CC(C)(C)N1CC[C@@H](Nc2nc(N)nc(N)n2)C1=O ZINC000624326344 374111201 /nfs/dbraw/zinc/11/12/01/374111201.db2.gz JVCVDBYWGAUJCJ-ZCFIWIBFSA-N 0 3 265.321 -1.070 20 0 CAADHN CO[C@@H]1COCC[C@H]1CNc1nc(N)nc(N)n1 ZINC000624250454 374111236 /nfs/dbraw/zinc/11/12/36/374111236.db2.gz SJRPDTKFCZZCSJ-NKWVEPMBSA-N 0 3 254.294 -1.418 20 0 CAADHN CN(C)C(=O)[C@H]1CCN(c2nc(N)nc(N)n2)C1 ZINC000624276214 374111376 /nfs/dbraw/zinc/11/13/76/374111376.db2.gz HERAQKQBDHDISR-LURJTMIESA-N 0 3 251.294 -1.389 20 0 CAADHN Nc1nc(N)nc(N[C@@H](CO)[C@H]2CCCOC2)n1 ZINC000624279632 374111405 /nfs/dbraw/zinc/11/14/05/374111405.db2.gz YFFKACFHGRWHIF-BQBZGAKWSA-N 0 3 254.294 -1.682 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1nc(N)nc(N)n1 ZINC000624331275 374111581 /nfs/dbraw/zinc/11/15/81/374111581.db2.gz UUIQNCBJESSWIB-SSDOTTSWSA-N 0 3 280.336 -1.747 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2C[C@H]3CCCCN3C2=O)n1 ZINC000624268945 374111661 /nfs/dbraw/zinc/11/16/61/374111661.db2.gz PRDGXGXSERTXQH-RNFRBKRXSA-N 0 3 263.305 -1.316 20 0 CAADHN Nc1nc(N)nc(NCCN2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000624256207 374111935 /nfs/dbraw/zinc/11/19/35/374111935.db2.gz GNVLWQLULLRTTH-OCAPTIKFSA-N 0 3 265.321 -1.606 20 0 CAADHN CO[C@H](CNc1nc(N)nc(N)n1)[C@H]1CCOC1 ZINC000624384910 374113410 /nfs/dbraw/zinc/11/34/10/374113410.db2.gz JXEITUDQVPPLNP-NKWVEPMBSA-N 0 3 254.294 -1.418 20 0 CAADHN CO[C@]1(CO)CCCN(c2nc(N)nc(N)n2)C1 ZINC000624393106 374113430 /nfs/dbraw/zinc/11/34/30/374113430.db2.gz LCNKONDMJCRNDL-SNVBAGLBSA-N 0 3 254.294 -1.326 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000642643770 374113522 /nfs/dbraw/zinc/11/35/22/374113522.db2.gz ITUHJAPZBUGJAS-ZETCQYMHSA-N 0 3 294.277 -1.173 20 0 CAADHN Cc1cnn([C@H]2[C@H](Nc3nc(N)nc(N)n3)C[C@@H]2O)c1 ZINC000624403125 374113596 /nfs/dbraw/zinc/11/35/96/374113596.db2.gz PDZMNSYLJLQYLN-CSMHCCOUSA-N 0 3 276.304 -1.590 20 0 CAADHN Cc1cnn(C)c1S(=O)(=O)NC[C@H]1CNCCO1 ZINC000624370814 374113642 /nfs/dbraw/zinc/11/36/42/374113642.db2.gz XFGUJNZTAUEZJJ-SECBINFHSA-N 0 3 274.346 -1.005 20 0 CAADHN C[C@H]1CC[C@@H](Nc2nc(N)nc(N)n2)CS1(=O)=O ZINC000624397363 374114304 /nfs/dbraw/zinc/11/43/04/374114304.db2.gz YIRBUXFSTFQZSV-NTSWFWBYSA-N 0 3 272.334 -1.504 20 0 CAADHN C[C@H]1CC[C@H](Nc2nc(N)nc(N)n2)CS1(=O)=O ZINC000624397366 374114424 /nfs/dbraw/zinc/11/44/24/374114424.db2.gz YIRBUXFSTFQZSV-WDSKDSINSA-N 0 3 272.334 -1.504 20 0 CAADHN CCOC[C@@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC000624602659 374114606 /nfs/dbraw/zinc/11/46/06/374114606.db2.gz BMDZHVXWZYGBNQ-ZETCQYMHSA-N 0 3 254.294 -1.062 20 0 CAADHN C[C@H](CNC(=O)C(=O)NC[C@@H]1COCCN1)N(C)C1CC1 ZINC000627372747 374115704 /nfs/dbraw/zinc/11/57/04/374115704.db2.gz WDFQOBNSROXWBP-GHMZBOCLSA-N 0 3 298.387 -1.310 20 0 CAADHN CCN(CCN)C(=O)C(=O)N[C@H](C)CN1CCOCC1 ZINC000627358259 374115865 /nfs/dbraw/zinc/11/58/65/374115865.db2.gz FAKJRCOJSGJMOR-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN CCN(CCNC(=O)C(=O)NC[C@@H]1COCCN1)C1CC1 ZINC000627365282 374116801 /nfs/dbraw/zinc/11/68/01/374116801.db2.gz KPDRSPUSHSWVCD-LLVKDONJSA-N 0 3 298.387 -1.309 20 0 CAADHN C[C@@H](CNC(=O)C(=O)NC[C@@H]1COCCN1)N(C)C1CC1 ZINC000627372750 374116857 /nfs/dbraw/zinc/11/68/57/374116857.db2.gz WDFQOBNSROXWBP-WDEREUQCSA-N 0 3 298.387 -1.310 20 0 CAADHN CCOC[C@@H]1CN(C(=O)C(=O)NCCN)CCO1 ZINC000627399351 374118494 /nfs/dbraw/zinc/11/84/94/374118494.db2.gz OORFFFZGJUKCOW-VIFPVBQESA-N 0 3 259.306 -1.675 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627389493 374118872 /nfs/dbraw/zinc/11/88/72/374118872.db2.gz GMVOBEGIZHRALB-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN CCN(CCN)C(=O)C(=O)NCCCN1CCOCC1 ZINC000627390491 374118899 /nfs/dbraw/zinc/11/88/99/374118899.db2.gz NKYIWJFMGIILLM-UHFFFAOYSA-N 0 3 286.376 -1.368 20 0 CAADHN CC(C)(CNC(=O)C(=O)NCCN)C(=O)N1CCCC1 ZINC000627399144 374118964 /nfs/dbraw/zinc/11/89/64/374118964.db2.gz HAZWRNAHMOYAOI-UHFFFAOYSA-N 0 3 284.360 -1.174 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C(=O)NC1CNC1 ZINC000627407552 374120139 /nfs/dbraw/zinc/12/01/39/374120139.db2.gz XFQUZZRLLIDBSJ-VIFPVBQESA-N 0 3 256.306 -2.479 20 0 CAADHN CCOC[C@H]1CN(C(=O)C(=O)N[C@H](C)CN)CCO1 ZINC000627411513 374120181 /nfs/dbraw/zinc/12/01/81/374120181.db2.gz KJZIZCRBBHEMAA-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(=O)C[C@@H]1CN(C(=O)C(=O)NC2CNC2)CCO1 ZINC000627407573 374120219 /nfs/dbraw/zinc/12/02/19/374120219.db2.gz YJJVBXRDQVVPTN-MRVPVSSYSA-N 0 3 270.289 -2.823 20 0 CAADHN O=C(NC[C@H]1CCCN1CC(F)F)C(=O)NC1CNC1 ZINC000627407553 374120345 /nfs/dbraw/zinc/12/03/45/374120345.db2.gz XGDYAKLWCDFMLH-SECBINFHSA-N 0 3 290.314 -1.080 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CCN(c2nccnn2)CC1 ZINC000627411322 374120439 /nfs/dbraw/zinc/12/04/39/374120439.db2.gz DDSDSPSFVFSFJI-SECBINFHSA-N 0 3 293.331 -2.016 20 0 CAADHN CCOC[C@@H]1CN(C(=O)C(=O)N[C@H](C)CN)CCO1 ZINC000627411514 374120524 /nfs/dbraw/zinc/12/05/24/374120524.db2.gz KJZIZCRBBHEMAA-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000627412140 374120631 /nfs/dbraw/zinc/12/06/31/374120631.db2.gz DICDOXRLLFEKBK-QWRGUYRKSA-N 0 3 284.360 -1.713 20 0 CAADHN CCOC[C@H]1CN(C(=O)C(=O)NC2CNC2)CCO1 ZINC000627407261 374120829 /nfs/dbraw/zinc/12/08/29/374120829.db2.gz LZRJGLGRCHVCNR-SNVBAGLBSA-N 0 3 271.317 -1.662 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CCC[C@@H]1COC ZINC000627418833 374122304 /nfs/dbraw/zinc/12/23/04/374122304.db2.gz DMMORVIYFKAGDW-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627429057 374122440 /nfs/dbraw/zinc/12/24/40/374122440.db2.gz WPJLMATUZPPYJX-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN COC[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000627420844 374122451 /nfs/dbraw/zinc/12/24/51/374122451.db2.gz UKIUWNTVLMPFLX-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@@H]1O ZINC000627425252 374122897 /nfs/dbraw/zinc/12/28/97/374122897.db2.gz JSFXFKYFQJOULQ-IUCAKERBSA-N 0 3 284.316 -1.986 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000627421650 374122994 /nfs/dbraw/zinc/12/29/94/374122994.db2.gz PNBOEHAMCQRECO-SDDRHHMPSA-N 0 3 297.355 -1.225 20 0 CAADHN CCN(CCN)C(=O)C(=O)NC[C@@H]1CC(=O)N(CC)C1 ZINC000627423391 374123235 /nfs/dbraw/zinc/12/32/35/374123235.db2.gz MDCAKTHQXDMZJR-JTQLQIEISA-N 0 3 284.360 -1.222 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)NC[C@H]1COCCN1C ZINC000627468055 374126477 /nfs/dbraw/zinc/12/64/77/374126477.db2.gz JCAGSPWBOUAANT-ZJUUUORDSA-N 0 3 272.349 -1.761 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1COCCN1 ZINC000627470311 374127941 /nfs/dbraw/zinc/12/79/41/374127941.db2.gz ORHHKUKIGNBGPD-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627475867 374130260 /nfs/dbraw/zinc/13/02/60/374130260.db2.gz WEWOCFCIFRHICD-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1COCCN1 ZINC000627473632 374131981 /nfs/dbraw/zinc/13/19/81/374131981.db2.gz RPMJDRJTVWQKFL-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC(C)(C)CN(C)C ZINC000622098909 374085694 /nfs/dbraw/zinc/08/56/94/374085694.db2.gz WKTKCWRMBWOLAX-UHFFFAOYSA-N 0 3 266.367 -1.503 20 0 CAADHN CNC(=O)CN1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000623849069 374090901 /nfs/dbraw/zinc/09/09/01/374090901.db2.gz VCPPMKCTVLDCDW-UHFFFAOYSA-N 0 3 280.336 -2.259 20 0 CAADHN Nc1nc(N)nc(NC2CCN(C(=O)C3CC3)CC2)n1 ZINC000623833388 374091430 /nfs/dbraw/zinc/09/14/30/374091430.db2.gz CDVUPMSPSAJYGF-UHFFFAOYSA-N 0 3 277.332 -1.068 20 0 CAADHN CS(=O)(=O)NCCCNc1nc(N)nc(N)n1 ZINC000623839485 374092023 /nfs/dbraw/zinc/09/20/23/374092023.db2.gz ZWVCKBNZQIECPF-UHFFFAOYSA-N 0 3 261.311 -2.530 20 0 CAADHN CN1CCN(CCCNc2nc(N)nc(N)n2)CC1 ZINC000623812750 374092027 /nfs/dbraw/zinc/09/20/27/374092027.db2.gz KEIMQEINGOICOI-UHFFFAOYSA-N 0 3 266.353 -1.832 20 0 CAADHN Nc1nc(N)nc(NC[C@H](O)COc2ccccc2)n1 ZINC000623853246 374092183 /nfs/dbraw/zinc/09/21/83/374092183.db2.gz RLGPZIZSKXINAR-QMMMGPOBSA-N 0 3 276.300 -1.030 20 0 CAADHN Nc1nc(N)nc(NCCN2CCS(=O)(=O)CC2)n1 ZINC000623853342 374092621 /nfs/dbraw/zinc/09/26/21/374092621.db2.gz VBQZVVJJKGIJFW-UHFFFAOYSA-N 0 3 287.349 -2.739 20 0 CAADHN Nc1nc(N)nc(N2CCCN(CCO)CC2)n1 ZINC000623941215 374093809 /nfs/dbraw/zinc/09/38/09/374093809.db2.gz MKJRKXZXWBWJLU-UHFFFAOYSA-N 0 3 253.310 -1.799 20 0 CAADHN CC[C@H](C)NC(=O)[C@H](C)Nc1nc(N)nc(N)n1 ZINC000623902197 374093901 /nfs/dbraw/zinc/09/39/01/374093901.db2.gz CZGNNTUFMOWJQQ-WDSKDSINSA-N 0 3 253.310 -1.166 20 0 CAADHN CCN1CCN([C@H](C)CNc2nc(N)nc(N)n2)CC1 ZINC000623858564 374094011 /nfs/dbraw/zinc/09/40/11/374094011.db2.gz PLJOICIEQHAKNU-SECBINFHSA-N 0 3 280.380 -1.443 20 0 CAADHN CC[C@H](C)NC(=O)CCNc1nc(N)nc(N)n1 ZINC000623873916 374094178 /nfs/dbraw/zinc/09/41/78/374094178.db2.gz VLAAPPHUSJUMFE-LURJTMIESA-N 0 3 253.310 -1.165 20 0 CAADHN C[C@H](Nc1nc(N)nc(N)n1)C(=O)NC(C)(C)C ZINC000623896674 374094719 /nfs/dbraw/zinc/09/47/19/374094719.db2.gz YFARRCDTEQBCNO-YFKPBYRVSA-N 0 3 253.310 -1.166 20 0 CAADHN CC(C)N1C[C@@H](Nc2nc(N)nc(N)n2)CC1=O ZINC000623927575 374095080 /nfs/dbraw/zinc/09/50/80/374095080.db2.gz MQEUJERPOQXJQQ-LURJTMIESA-N 0 3 251.294 -1.460 20 0 CAADHN C[C@H]1CC[C@H](C(N)=O)CN1c1nc(N)nc(N)n1 ZINC000623871569 374095871 /nfs/dbraw/zinc/09/58/71/374095871.db2.gz HVQYDWYYQXQODU-WDSKDSINSA-N 0 3 251.294 -1.213 20 0 CAADHN CCN1CCN([C@@H](C)CNc2nc(N)nc(N)n2)CC1 ZINC000623858565 374096033 /nfs/dbraw/zinc/09/60/33/374096033.db2.gz PLJOICIEQHAKNU-VIFPVBQESA-N 0 3 280.380 -1.443 20 0 CAADHN C[C@H]1COCCN1CCNc1nc(N)nc(N)n1 ZINC000623939026 374096315 /nfs/dbraw/zinc/09/63/15/374096315.db2.gz AWFPZHKMKKFJDR-ZETCQYMHSA-N 0 3 253.310 -1.749 20 0 CAADHN Cn1cc(N2CC[C@H](Nc3nc(N)nc(N)n3)C2=O)cn1 ZINC000623980351 374097231 /nfs/dbraw/zinc/09/72/31/374097231.db2.gz DGRAKPNIUCPDBK-ZETCQYMHSA-N 0 3 289.303 -1.930 20 0 CAADHN NC(=O)[C@@H]1CCC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000623985150 374097262 /nfs/dbraw/zinc/09/72/62/374097262.db2.gz GEPBWBGDJOUPCJ-RITPCOANSA-N 0 3 251.294 -1.425 20 0 CAADHN Nc1nc(N)nc(NCCOC[C@@H]2CCCO2)n1 ZINC000623974541 374097623 /nfs/dbraw/zinc/09/76/23/374097623.db2.gz HNNBOJNLTJRZON-ZETCQYMHSA-N 0 3 254.294 -1.274 20 0 CAADHN Nc1nc(N)nc(NCCCN2C(=O)CCC2=O)n1 ZINC000623951670 374097689 /nfs/dbraw/zinc/09/76/89/374097689.db2.gz VSYXZROWUYSHMM-UHFFFAOYSA-N 0 3 265.277 -1.930 20 0 CAADHN Nc1nc(N)nc(NCCN2C(=O)CCC2=O)n1 ZINC000623970885 374098283 /nfs/dbraw/zinc/09/82/83/374098283.db2.gz CKJPNQWIWRQDLT-UHFFFAOYSA-N 0 3 251.250 -2.320 20 0 CAADHN CCS(=O)(=O)C[C@H](C)Nc1nc(N)nc(N)n1 ZINC000623971484 374098970 /nfs/dbraw/zinc/09/89/70/374098970.db2.gz XXGWKBLQVHCQIE-YFKPBYRVSA-N 0 3 260.323 -1.646 20 0 CAADHN CNC(=O)[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623960943 374099233 /nfs/dbraw/zinc/09/92/33/374099233.db2.gz MXZCDSLCUQIQDF-LURJTMIESA-N 0 3 251.294 -1.341 20 0 CAADHN Nc1nc(N)nc(N[C@H]2CCN(CC(F)(F)F)C2=O)n1 ZINC000623964403 374099477 /nfs/dbraw/zinc/09/94/77/374099477.db2.gz FYUXQWXXVJHJOD-BYPYZUCNSA-N 0 3 291.237 -1.306 20 0 CAADHN C[C@@H](CNc1nc(N)nc(N)n1)CN1CCOCC1 ZINC000623985023 374099516 /nfs/dbraw/zinc/09/95/16/374099516.db2.gz BLNFYAFVRVDDJE-QMMMGPOBSA-N 0 3 267.337 -1.501 20 0 CAADHN Nc1nc(N)nc(NC[C@H]2CCCS2(=O)=O)n1 ZINC000624043289 374100480 /nfs/dbraw/zinc/10/04/80/374100480.db2.gz UJLRBYQLGKFESM-RXMQYKEDSA-N 0 3 258.307 -1.892 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)c1nc(N)nc(N)n1 ZINC000624025625 374100596 /nfs/dbraw/zinc/10/05/96/374100596.db2.gz GPFVFKQRXRJVOF-QMMMGPOBSA-N 0 3 283.336 -2.174 20 0 CAADHN Nc1nc(N)nc(N2CCN([C@@H]3CCOC3)CC2)n1 ZINC000624051141 374100720 /nfs/dbraw/zinc/10/07/20/374100720.db2.gz SVTKWGHVKQWOQT-MRVPVSSYSA-N 0 3 265.321 -1.392 20 0 CAADHN CCC(=O)N1CC[C@H](Nc2nc(N)nc(N)n2)C1 ZINC000624038479 374100793 /nfs/dbraw/zinc/10/07/93/374100793.db2.gz JMTSQLIOUGDPEN-LURJTMIESA-N 0 3 251.294 -1.459 20 0 CAADHN CC(C)N1C(=O)C[C@@H](Nc2nc(N)nc(N)n2)C1=O ZINC000624018747 374100852 /nfs/dbraw/zinc/10/08/52/374100852.db2.gz XRYYVVJYPBIBQG-RXMQYKEDSA-N 0 3 265.277 -1.934 20 0 CAADHN Nc1nc(N)nc(NCCCO[C@H]2CCOC2)n1 ZINC000624031106 374101064 /nfs/dbraw/zinc/10/10/64/374101064.db2.gz VGITWHLDSCTAEE-ZETCQYMHSA-N 0 3 254.294 -1.274 20 0 CAADHN C[C@H](CO[C@@H]1CCOC1)Nc1nc(N)nc(N)n1 ZINC000624027509 374101142 /nfs/dbraw/zinc/10/11/42/374101142.db2.gz WQWZMXQNOLJZOE-RNFRBKRXSA-N 0 3 254.294 -1.275 20 0 CAADHN CCN1C(=O)[C@@H]2CN(c3nc(N)nc(N)n3)CCN2C1=O ZINC000624025345 374101275 /nfs/dbraw/zinc/10/12/75/374101275.db2.gz XTUODMJRPVJCRJ-LURJTMIESA-N 0 3 292.303 -1.831 20 0 CAADHN Nc1nc(N)nc(N2CCN([C@H]3CCOC3)CC2)n1 ZINC000624051142 374101402 /nfs/dbraw/zinc/10/14/02/374101402.db2.gz SVTKWGHVKQWOQT-QMMMGPOBSA-N 0 3 265.321 -1.392 20 0 CAADHN C[C@@H](CO[C@H]1CCOC1)Nc1nc(N)nc(N)n1 ZINC000624027507 374101773 /nfs/dbraw/zinc/10/17/73/374101773.db2.gz WQWZMXQNOLJZOE-BQBZGAKWSA-N 0 3 254.294 -1.275 20 0 CAADHN C[C@@H](CO[C@@H]1CCOC1)Nc1nc(N)nc(N)n1 ZINC000624027508 374101922 /nfs/dbraw/zinc/10/19/22/374101922.db2.gz WQWZMXQNOLJZOE-NKWVEPMBSA-N 0 3 254.294 -1.275 20 0 CAADHN NC(=O)[C@@H]1CCCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624036421 374102062 /nfs/dbraw/zinc/10/20/62/374102062.db2.gz LQEZZJZILVKLSO-RITPCOANSA-N 0 3 251.294 -1.425 20 0 CAADHN Nc1nc(N)nc(N[C@H](CO)Cc2ccc(O)cc2)n1 ZINC000624006942 374102638 /nfs/dbraw/zinc/10/26/38/374102638.db2.gz JCQMRXIOYUNEBL-QMMMGPOBSA-N 0 3 276.300 -1.160 20 0 CAADHN Nc1nc(N)nc(N2CCN(C3CCOCC3)CC2)n1 ZINC000624016711 374102660 /nfs/dbraw/zinc/10/26/60/374102660.db2.gz CNOLHAWDDZPDDI-UHFFFAOYSA-N 0 3 279.348 -1.002 20 0 CAADHN Nc1nc(N)nc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1 ZINC000624033571 374103037 /nfs/dbraw/zinc/10/30/37/374103037.db2.gz LQJUCHUOQBQBOC-NKWVEPMBSA-N 0 3 263.305 -1.056 20 0 CAADHN CS(=O)(=O)N1CC[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000624061109 374104028 /nfs/dbraw/zinc/10/40/28/374104028.db2.gz UHMYGWYHRYHKDS-ZCFIWIBFSA-N 0 3 287.349 -2.188 20 0 CAADHN CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627475907 374133509 /nfs/dbraw/zinc/13/35/09/374133509.db2.gz WQRHIAAEBHZEMS-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN Nc1nc(N)nc(N2CCN3CCOC[C@H]3C2)n1 ZINC000624100558 374104078 /nfs/dbraw/zinc/10/40/78/374104078.db2.gz XBRYRDHPXGAGEM-SSDOTTSWSA-N 0 3 251.294 -1.782 20 0 CAADHN CC(C)N1CCN(c2nc(N)nc(N)n2)CC1=O ZINC000624092314 374104097 /nfs/dbraw/zinc/10/40/97/374104097.db2.gz HYJQIBZIEDVZIW-UHFFFAOYSA-N 0 3 251.294 -1.246 20 0 CAADHN C[C@H](O)C(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000624075416 374104128 /nfs/dbraw/zinc/10/41/28/374104128.db2.gz CAJZRHDWSXGMBK-LURJTMIESA-N 0 3 267.293 -2.274 20 0 CAADHN Nc1nc(N)nc(NCC(=O)N2CCOCC2)n1 ZINC000624086683 374104150 /nfs/dbraw/zinc/10/41/50/374104150.db2.gz QYPBPMOLVDZKJR-UHFFFAOYSA-N 0 3 253.266 -2.611 20 0 CAADHN Nc1nc(N)nc(NC[C@H]2CN3CCN2CC3)n1 ZINC000624056960 374104397 /nfs/dbraw/zinc/10/43/97/374104397.db2.gz UVTSOFIDLFGVPX-ZETCQYMHSA-N 0 3 250.310 -2.470 20 0 CAADHN Nc1nc(N)nc(NCCN2CCNC(=O)C2)n1 ZINC000624093174 374104489 /nfs/dbraw/zinc/10/44/89/374104489.db2.gz QCFQHLGSQBBQJT-UHFFFAOYSA-N 0 3 252.282 -3.038 20 0 CAADHN Nc1nc(N)nc(NC[C@@H]2CCCCS2(=O)=O)n1 ZINC000624097527 374104585 /nfs/dbraw/zinc/10/45/85/374104585.db2.gz YBMRXRFTMSYTHQ-LURJTMIESA-N 0 3 272.334 -1.502 20 0 CAADHN CC(C)c1nnc(CNc2nc(N)nc(N)n2)n1C ZINC000624088599 374104614 /nfs/dbraw/zinc/10/46/14/374104614.db2.gz OEZHGEWQWMBRHW-UHFFFAOYSA-N 0 3 263.309 -1.017 20 0 CAADHN C[C@H](O)C[C@H]1COCCN1c1nc(N)nc(N)n1 ZINC000624105921 374104707 /nfs/dbraw/zinc/10/47/07/374104707.db2.gz HQAQUYOJHARZMH-BQBZGAKWSA-N 0 3 254.294 -1.327 20 0 CAADHN NC(=O)[C@H]1CCCCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624053277 374104747 /nfs/dbraw/zinc/10/47/47/374104747.db2.gz BJBVJJPRJCPRFE-BQBZGAKWSA-N 0 3 265.321 -1.035 20 0 CAADHN Nc1nc(N)nc(N[C@H]2CCO[C@@]3(CCOC3)C2)n1 ZINC000624081442 374104827 /nfs/dbraw/zinc/10/48/27/374104827.db2.gz UYPCXCPRKWGKBE-CPCISQLKSA-N 0 3 266.305 -1.131 20 0 CAADHN CCOCCOC1CN(c2nc(N)nc(N)n2)C1 ZINC000624087907 374104955 /nfs/dbraw/zinc/10/49/55/374104955.db2.gz RJDYLIDDGWJXDC-UHFFFAOYSA-N 0 3 254.294 -1.062 20 0 CAADHN CCO[C@H]1COCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624101004 374104985 /nfs/dbraw/zinc/10/49/85/374104985.db2.gz DJXQLYDYIYIQMH-RQJHMYQMSA-N 0 3 254.294 -1.275 20 0 CAADHN NC(=O)C[C@@H]1CCCCN1c1nc(N)nc(N)n1 ZINC000624071531 374105099 /nfs/dbraw/zinc/10/50/99/374105099.db2.gz CENOCNRXYLDBBE-LURJTMIESA-N 0 3 251.294 -1.069 20 0 CAADHN C[C@@H](O)C(=O)N1CCN(c2nc(N)nc(N)n2)CC1 ZINC000624075417 374105380 /nfs/dbraw/zinc/10/53/80/374105380.db2.gz CAJZRHDWSXGMBK-ZCFIWIBFSA-N 0 3 267.293 -2.274 20 0 CAADHN Nc1nc(N)nc(N[C@@H](CCO)C2CCOCC2)n1 ZINC000624103480 374105543 /nfs/dbraw/zinc/10/55/43/374105543.db2.gz CVLNVAXRQWLYBU-QMMMGPOBSA-N 0 3 268.321 -1.292 20 0 CAADHN COC1(CNc2nc(N)nc(N)n2)CCOCC1 ZINC000624056585 374105808 /nfs/dbraw/zinc/10/58/08/374105808.db2.gz GORLUCPWXPCDON-UHFFFAOYSA-N 0 3 254.294 -1.274 20 0 CAADHN NC(=O)[C@@H]1CCCCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624053279 374105866 /nfs/dbraw/zinc/10/58/66/374105866.db2.gz BJBVJJPRJCPRFE-RNFRBKRXSA-N 0 3 265.321 -1.035 20 0 CAADHN CN(C)c1nccc(CNc2nc(N)nc(N)n2)n1 ZINC000624085464 374105967 /nfs/dbraw/zinc/10/59/67/374105967.db2.gz WROVPRHNOPZBSO-UHFFFAOYSA-N 0 3 261.293 -1.413 20 0 CAADHN Nc1nc(N)nc(N2CCN(c3ncc(F)cn3)CC2)n1 ZINC000624101610 374106012 /nfs/dbraw/zinc/10/60/12/374106012.db2.gz QUPDMZJUYAEUFX-UHFFFAOYSA-N 0 3 291.294 -1.048 20 0 CAADHN Nc1nc(N)nc(N2CC[C@H](NC(=O)NC3CC3)C2)n1 ZINC000624103283 374106066 /nfs/dbraw/zinc/10/60/66/374106066.db2.gz YDLXQPHYHSLEQQ-ZETCQYMHSA-N 0 3 278.320 -1.263 20 0 CAADHN C[C@H](Nc1nc(N)nc(N)n1)[C@H]1CN(C)CCO1 ZINC000624051404 374106126 /nfs/dbraw/zinc/10/61/26/374106126.db2.gz BRYZWHXEYIUDCY-NKWVEPMBSA-N 0 3 253.310 -1.750 20 0 CAADHN C[C@H](Nc1nc(N)nc(N)n1)[C@@H]1CN(C)CCO1 ZINC000624051403 374106377 /nfs/dbraw/zinc/10/63/77/374106377.db2.gz BRYZWHXEYIUDCY-BQBZGAKWSA-N 0 3 253.310 -1.750 20 0 CAADHN CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2COCCN2)C1 ZINC000627475906 374133663 /nfs/dbraw/zinc/13/36/63/374133663.db2.gz WQRHIAAEBHZEMS-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CN(c1nc(N)nc(N)n1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000624247670 374107306 /nfs/dbraw/zinc/10/73/06/374107306.db2.gz PIAPOANYAPBQMN-SFYZADRCSA-N 0 3 265.321 -1.394 20 0 CAADHN COCCOC1(CNc2nc(N)nc(N)n2)CCOCC1 ZINC000624248981 374107371 /nfs/dbraw/zinc/10/73/71/374107371.db2.gz MLKQNFORACRFKY-UHFFFAOYSA-N 0 3 298.347 -1.257 20 0 CAADHN CC(C)N(CCOCCO)c1nc(N)nc(N)n1 ZINC000624189849 374107406 /nfs/dbraw/zinc/10/74/06/374107406.db2.gz ANHWKILKNBABCS-UHFFFAOYSA-N 0 3 256.310 -1.080 20 0 CAADHN CC(C)(C)[C@@H](O)C[C@H](CO)Nc1nc(N)nc(N)n1 ZINC000624190986 374107830 /nfs/dbraw/zinc/10/78/30/374107830.db2.gz UFBJPSGOXOEFBR-RQJHMYQMSA-N 0 3 270.337 -1.311 20 0 CAADHN Nc1nc(N)nc(N[C@@H]2CCCN(CCCO)C2)n1 ZINC000624249108 374108102 /nfs/dbraw/zinc/10/81/02/374108102.db2.gz UKSYQEYRXKWPBE-MRVPVSSYSA-N 0 3 267.337 -1.623 20 0 CAADHN Nc1nc(N)nc(N[C@@H](CO)CN2CCCCC2)n1 ZINC000624209609 374108176 /nfs/dbraw/zinc/10/81/76/374108176.db2.gz MFXLAZNPCGGWPP-MRVPVSSYSA-N 0 3 267.337 -1.623 20 0 CAADHN Nc1nc(N)nc(NC[C@H]2CCCN2CCCO)n1 ZINC000624248525 374108448 /nfs/dbraw/zinc/10/84/48/374108448.db2.gz QTFAKDQMVVUNLL-MRVPVSSYSA-N 0 3 267.337 -1.623 20 0 CAADHN Nc1nc(N)nc(NC[C@@H]2CCCCN2CCO)n1 ZINC000624248875 374108519 /nfs/dbraw/zinc/10/85/19/374108519.db2.gz HNSLAVFOKIPZGT-QMMMGPOBSA-N 0 3 267.337 -1.623 20 0 CAADHN CC[C@H](CNS(C)(=O)=O)Nc1nc(N)nc(N)n1 ZINC000624249466 374108564 /nfs/dbraw/zinc/10/85/64/374108564.db2.gz KRSDTCMCQJOUTO-RXMQYKEDSA-N 0 3 275.338 -2.142 20 0 CAADHN CN(c1nc(N)nc(N)n1)[C@H]1CCN2CCO[C@H]1C2 ZINC000624247671 374108929 /nfs/dbraw/zinc/10/89/29/374108929.db2.gz PIAPOANYAPBQMN-YUMQZZPRSA-N 0 3 265.321 -1.394 20 0 CAADHN Cn1nccc1[C@H]1OCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624201626 374109003 /nfs/dbraw/zinc/10/90/03/374109003.db2.gz MTXSSMSKCPVDNW-XPUUQOCRSA-N 0 3 276.304 -1.206 20 0 CAADHN O=C(Cc1nc[nH]n1)NC[C@@H]1CN2CCN1CCC2 ZINC000632891058 374180508 /nfs/dbraw/zinc/18/05/08/374180508.db2.gz WZQYXFCIHNKOPS-SNVBAGLBSA-N 0 3 264.333 -1.147 20 0 CAADHN O=C(Cc1nnc[nH]1)NC[C@@H]1CN2CCN1CCC2 ZINC000632891058 374180512 /nfs/dbraw/zinc/18/05/12/374180512.db2.gz WZQYXFCIHNKOPS-SNVBAGLBSA-N 0 3 264.333 -1.147 20 0 CAADHN C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CN3CC(=O)[N-]C3=O)C[C@H]21 ZINC000627650685 374138690 /nfs/dbraw/zinc/13/86/90/374138690.db2.gz QOLUAHATNJJYCK-VROVMSAKSA-N 0 3 266.301 -1.443 20 0 CAADHN CCN(C(=O)CNS(=O)(=O)NC)C1CCN(C)CC1 ZINC000627616471 374139361 /nfs/dbraw/zinc/13/93/61/374139361.db2.gz QHJCFWXGFYJFGM-UHFFFAOYSA-N 0 3 292.405 -1.017 20 0 CAADHN COCCNC(=O)CNS(=O)(=O)CCCN(C)C ZINC000631684600 374149689 /nfs/dbraw/zinc/14/96/89/374149689.db2.gz RSRMEZCFHYDWKY-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN CNC(=O)[C@H](C)NS(=O)(=O)CCCN(C)C ZINC000631780925 374149702 /nfs/dbraw/zinc/14/97/02/374149702.db2.gz QCTDFRCXKPXSID-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN CCNC(=O)CNS(=O)(=O)CCCN(C)C ZINC000631676202 374149742 /nfs/dbraw/zinc/14/97/42/374149742.db2.gz SUXLJIUFGQJQFP-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN CN(C)CCn1cc(C(=O)NCCn2ncnn2)cn1 ZINC000631800168 374149827 /nfs/dbraw/zinc/14/98/27/374149827.db2.gz VVSXDYSPXOUZKF-UHFFFAOYSA-N 0 3 278.320 -1.139 20 0 CAADHN C[C@@H]1CNCCN1S(=O)(=O)C[C@@H]1CNCCO1 ZINC000631902340 374150942 /nfs/dbraw/zinc/15/09/42/374150942.db2.gz IGGFHNSWYNSXJJ-ZJUUUORDSA-N 0 3 263.363 -1.402 20 0 CAADHN C[C@H]1CN(S(=O)(=O)C[C@H]2CNCCO2)CCN1 ZINC000631904155 374150985 /nfs/dbraw/zinc/15/09/85/374150985.db2.gz GEGKJUYQCPHWES-VHSXEESVSA-N 0 3 263.363 -1.402 20 0 CAADHN C[C@H]1CNCCN1S(=O)(=O)C[C@@H]1CNCCO1 ZINC000631902338 374151507 /nfs/dbraw/zinc/15/15/07/374151507.db2.gz IGGFHNSWYNSXJJ-UWVGGRQHSA-N 0 3 263.363 -1.402 20 0 CAADHN CN(C)CCCS(=O)(=O)NCC(=O)N1CCNCC1 ZINC000631901646 374151781 /nfs/dbraw/zinc/15/17/81/374151781.db2.gz KCFRIZTUAZTMAU-UHFFFAOYSA-N 0 3 292.405 -1.711 20 0 CAADHN CNC(=O)NC[C@@H]1COCCN1C[C@H]1CNCCO1 ZINC000631872673 374152084 /nfs/dbraw/zinc/15/20/84/374152084.db2.gz DMAZHAXZBMOZEB-GHMZBOCLSA-N 0 3 272.349 -1.395 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)C[C@H]2CNCCO2)[C@H](C)CN1 ZINC000631930068 374153570 /nfs/dbraw/zinc/15/35/70/374153570.db2.gz WHVWYHBOYNXWTC-GMTAPVOTSA-N 0 3 277.390 -1.013 20 0 CAADHN CN1CCN(S(=O)(=O)C[C@@H]2CNCCO2)[C@@H](CN)C1 ZINC000631907272 374153912 /nfs/dbraw/zinc/15/39/12/374153912.db2.gz HMUOBYCZSVOOLZ-QWRGUYRKSA-N 0 3 292.405 -2.121 20 0 CAADHN CN1CCN(S(=O)(=O)C[C@H]2CNCCO2)[C@H](CN)C1 ZINC000631907270 374154666 /nfs/dbraw/zinc/15/46/66/374154666.db2.gz HMUOBYCZSVOOLZ-GHMZBOCLSA-N 0 3 292.405 -2.121 20 0 CAADHN CCN1C[C@@H](S(=O)(=O)NC[C@H]2CNCCO2)CC1=O ZINC000631944391 374155571 /nfs/dbraw/zinc/15/55/71/374155571.db2.gz WFOSDMISSAZJON-ZJUUUORDSA-N 0 3 291.373 -1.485 20 0 CAADHN C[C@@H]1NCCN(S(=O)(=O)C[C@H]2CNCCO2)[C@H]1C ZINC000631936130 374155699 /nfs/dbraw/zinc/15/56/99/374155699.db2.gz UVACAQYPVAVIEW-GARJFASQSA-N 0 3 277.390 -1.013 20 0 CAADHN [NH3+]CC[C@H]([N-]S(=O)(=O)C[C@H]1CNCCO1)C(F)F ZINC000631942928 374156325 /nfs/dbraw/zinc/15/63/25/374156325.db2.gz JCZINRYEJHOSAU-SFYZADRCSA-N 0 3 287.332 -1.123 20 0 CAADHN CCN1C[C@H](S(=O)(=O)N(C)C2CNC2)CC1=O ZINC000631937514 374156416 /nfs/dbraw/zinc/15/64/16/374156416.db2.gz ILLPZIKEPYDYQL-SECBINFHSA-N 0 3 261.347 -1.159 20 0 CAADHN CCN1C[C@@H](S(=O)(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000631944389 374156868 /nfs/dbraw/zinc/15/68/68/374156868.db2.gz WFOSDMISSAZJON-UWVGGRQHSA-N 0 3 291.373 -1.485 20 0 CAADHN CCN1C[C@H](S(=O)(=O)NC[C@H]2CNCCO2)CC1=O ZINC000631944388 374156882 /nfs/dbraw/zinc/15/68/82/374156882.db2.gz WFOSDMISSAZJON-NXEZZACHSA-N 0 3 291.373 -1.485 20 0 CAADHN CN(C)CCn1cc(C(=O)N[C@H]2CCC(=O)NC2=O)cn1 ZINC000631994253 374158355 /nfs/dbraw/zinc/15/83/55/374158355.db2.gz IQXTZQIYZIQUIN-JTQLQIEISA-N 0 3 293.327 -1.020 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCN2C(=O)NC[C@H]2C1 ZINC000632078138 374160235 /nfs/dbraw/zinc/16/02/35/374160235.db2.gz JLEUVQRIVUUSRS-JTQLQIEISA-N 0 3 290.389 -1.023 20 0 CAADHN CN(C)CCCS(=O)(=O)NC[C@@H]1CN2CCN1CC2 ZINC000632129318 374160339 /nfs/dbraw/zinc/16/03/39/374160339.db2.gz HTWHVJHVVNUPDY-GFCCVEGCSA-N 0 3 290.433 -1.143 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCNC1=O ZINC000632071926 374160944 /nfs/dbraw/zinc/16/09/44/374160944.db2.gz PRQWCLSAXURXMH-SKDRFNHKSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H]1CCCNC1=O ZINC000632071924 374161179 /nfs/dbraw/zinc/16/11/79/374161179.db2.gz PRQWCLSAXURXMH-CABZTGNLSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1CCCNC1=O ZINC000632071925 374161244 /nfs/dbraw/zinc/16/12/44/374161244.db2.gz PRQWCLSAXURXMH-JOYOIKCWSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)CCCS(=O)(=O)NCCc1nnnn1C ZINC000632177512 374163241 /nfs/dbraw/zinc/16/32/41/374163241.db2.gz YGKPLXSUMBUAMT-UHFFFAOYSA-N 0 3 276.366 -1.376 20 0 CAADHN CN(C)CCCS(=O)(=O)NCCN1CCNC(=O)C1 ZINC000632196599 374164705 /nfs/dbraw/zinc/16/47/05/374164705.db2.gz DMNDQHNFPGRKRN-UHFFFAOYSA-N 0 3 292.405 -1.711 20 0 CAADHN CNC(=O)[C@@H](CO)[N-]S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632213338 374165814 /nfs/dbraw/zinc/16/58/14/374165814.db2.gz PBDMMFZJBLRKBU-SNVBAGLBSA-N 0 3 293.389 -1.501 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N[C@H]2CCN(C3CC3)C2)c1=O ZINC000067863100 374166163 /nfs/dbraw/zinc/16/61/63/374166163.db2.gz WQCBOCBKUIUDFT-JTQLQIEISA-N 0 3 292.339 -1.100 20 0 CAADHN COC[C@H](O)CNS(=O)(=O)CCCN(C)C ZINC000632313619 374167962 /nfs/dbraw/zinc/16/79/62/374167962.db2.gz JDGKJSVRPVDVKY-SECBINFHSA-N 0 3 254.352 -1.135 20 0 CAADHN CN(C)CCOCCNC(=O)C1CS(=O)(=O)C1 ZINC000632317360 374168012 /nfs/dbraw/zinc/16/80/12/374168012.db2.gz PUMHWYRCMUFQLZ-UHFFFAOYSA-N 0 3 264.347 -1.275 20 0 CAADHN CN(C)CCCS(=O)(=O)N1C[C@H](O)[C@H](CO)C1 ZINC000632439346 374169581 /nfs/dbraw/zinc/16/95/81/374169581.db2.gz VCSWWYLSRCGEAJ-UWVGGRQHSA-N 0 3 266.363 -1.447 20 0 CAADHN CN(C)CCCS(=O)(=O)N1C[C@H](CO)[C@H](O)C1 ZINC000632439345 374170141 /nfs/dbraw/zinc/17/01/41/374170141.db2.gz VCSWWYLSRCGEAJ-NXEZZACHSA-N 0 3 266.363 -1.447 20 0 CAADHN COCC1(O)CN(S(=O)(=O)CCCN(C)C)C1 ZINC000632392332 374170263 /nfs/dbraw/zinc/17/02/63/374170263.db2.gz HFMDYZWXNBEAET-UHFFFAOYSA-N 0 3 266.363 -1.039 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CCCNC1=O ZINC000632513124 374171310 /nfs/dbraw/zinc/17/13/10/374171310.db2.gz OITWZRXIPGNDTR-JTQLQIEISA-N 0 3 257.334 -1.057 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CCCNC1=O ZINC000632513125 374171711 /nfs/dbraw/zinc/17/17/11/374171711.db2.gz OITWZRXIPGNDTR-SNVBAGLBSA-N 0 3 257.334 -1.057 20 0 CAADHN CN(C)CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000632591666 374173813 /nfs/dbraw/zinc/17/38/13/374173813.db2.gz DMXDHFXEHOCLKH-IUCAKERBSA-N 0 3 252.336 -1.695 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)CCCN(C)C)C[C@H](C(N)=O)O1 ZINC000632591886 374174360 /nfs/dbraw/zinc/17/43/60/374174360.db2.gz JWAYRRXTYKCZSN-NXEZZACHSA-N 0 3 293.389 -1.158 20 0 CAADHN CN(C)CCCS(=O)(=O)N[C@@H]1COC[C@@H]1O ZINC000632622819 374176241 /nfs/dbraw/zinc/17/62/41/374176241.db2.gz ZFXPGGLKKULRNA-BDAKNGLRSA-N 0 3 252.336 -1.383 20 0 CAADHN CN(C)CCn1ccc(C(=O)N[C@@H]2COC[C@@H]2O)n1 ZINC000633856983 374192539 /nfs/dbraw/zinc/19/25/39/374192539.db2.gz UFHHPADDZAUKKF-MNOVXSKESA-N 0 3 268.317 -1.066 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)N1CCN(C)C[C@@H]1CN ZINC000633897249 374192977 /nfs/dbraw/zinc/19/29/77/374192977.db2.gz KPMQGMZTTJYIJY-GARJFASQSA-N 0 3 272.349 -1.316 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC2COC2)CC1=O ZINC000634256600 374199480 /nfs/dbraw/zinc/19/94/80/374199480.db2.gz SCPMZFPSTDGPQW-VIFPVBQESA-N 0 3 255.318 -1.089 20 0 CAADHN COCCN(C)CCN1C[C@@H](NC(=O)CO)CC1=O ZINC000633105410 374186027 /nfs/dbraw/zinc/18/60/27/374186027.db2.gz MYOFQDDZZHJYCT-JTQLQIEISA-N 0 3 273.333 -1.726 20 0 CAADHN CN(C)[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1O ZINC000633152423 374186859 /nfs/dbraw/zinc/18/68/59/374186859.db2.gz ZTVUQYZCXWTTJN-IUCAKERBSA-N 0 3 254.290 -1.127 20 0 CAADHN CN(C)[C@H]1CN(C(=O)C2(N3CCOCC3)CC2)C[C@@H]1O ZINC000633150183 374187099 /nfs/dbraw/zinc/18/70/99/374187099.db2.gz BVWUDECLGODUCQ-RYUDHWBXSA-N 0 3 283.372 -1.016 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CCC(=O)N2)CC1 ZINC000069641811 374188193 /nfs/dbraw/zinc/18/81/93/374188193.db2.gz KGGRYWATKIQJIG-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCCNC2=O)CC1=O ZINC000633566942 374188558 /nfs/dbraw/zinc/18/85/58/374188558.db2.gz MYWZGDOCUDBXRE-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CCCNC2=O)CC1=O ZINC000633566943 374188643 /nfs/dbraw/zinc/18/86/43/374188643.db2.gz MYWZGDOCUDBXRE-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN O=C(NCCn1cnccc1=O)[C@@H]1CN2CCN1CCC2 ZINC000633557849 374189012 /nfs/dbraw/zinc/18/90/12/374189012.db2.gz UMHUFGUHZJYDEH-LBPRGKRZSA-N 0 3 291.355 -1.251 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cc1nnc[nH]1 ZINC000633554908 374189096 /nfs/dbraw/zinc/18/90/96/374189096.db2.gz JEAFQSORNGROBS-SECBINFHSA-N 0 3 280.332 -1.074 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000574505292 335024517 /nfs/dbraw/zinc/02/45/17/335024517.db2.gz PLOIOGSWVOSCHP-UHFFFAOYSA-N 0 3 280.328 -1.799 20 0 CAADHN O=C(CN1CSCC1=O)NC[C@@H]1CNCCO1 ZINC000574630621 335035075 /nfs/dbraw/zinc/03/50/75/335035075.db2.gz IMXDLOXLGKVMOM-QMMMGPOBSA-N 0 3 259.331 -1.376 20 0 CAADHN COC[C@@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CCCO1 ZINC000574668500 335038397 /nfs/dbraw/zinc/03/83/97/335038397.db2.gz LHJKSLMLXRYDTP-ZJUUUORDSA-N 0 3 271.317 -1.615 20 0 CAADHN COC[C@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CCCO1 ZINC000574668498 335038412 /nfs/dbraw/zinc/03/84/12/335038412.db2.gz LHJKSLMLXRYDTP-UWVGGRQHSA-N 0 3 271.317 -1.615 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN(C)S(C)(=O)=O)C1 ZINC001193488656 781968967 /nfs/dbraw/zinc/96/89/67/781968967.db2.gz IXLCSHUXZIFLOU-NXEZZACHSA-N 0 3 293.389 -1.551 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCN([C@@H]2COC[C@H]2O)CC1 ZINC000574735230 335043347 /nfs/dbraw/zinc/04/33/47/335043347.db2.gz UFTUVMLLKHGHTP-JHJVBQTASA-N 0 3 283.372 -1.016 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CCC2CC2)C[C@H]1O ZINC001193535268 781972160 /nfs/dbraw/zinc/97/21/60/781972160.db2.gz GTYMZDLRQZWPKX-GHMZBOCLSA-N 0 3 284.360 -1.123 20 0 CAADHN CCN(CC)C[C@H](F)C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001193456870 781972464 /nfs/dbraw/zinc/97/24/64/781972464.db2.gz YCDAKDCKCAUOFH-QJPTWQEYSA-N 0 3 291.367 -1.180 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CCCOC)C[C@H]1O ZINC001193520221 781972797 /nfs/dbraw/zinc/97/27/97/781972797.db2.gz JJRPIWWIZBNDDK-NXEZZACHSA-N 0 3 288.348 -1.887 20 0 CAADHN Cn1cnn(CC(=O)N2CCO[C@H]3CCN(C)C[C@@H]32)c1=O ZINC000328932093 252093607 /nfs/dbraw/zinc/09/36/07/252093607.db2.gz BLSJYMMOODWXMQ-QWRGUYRKSA-N 0 3 295.343 -1.487 20 0 CAADHN Cn1cnn(CC(=O)N2CCO[C@@H]3CCN(C)C[C@H]32)c1=O ZINC000328932091 252094162 /nfs/dbraw/zinc/09/41/62/252094162.db2.gz BLSJYMMOODWXMQ-GHMZBOCLSA-N 0 3 295.343 -1.487 20 0 CAADHN CN1CC[C@@H]2OCCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC000328986722 252094684 /nfs/dbraw/zinc/09/46/84/252094684.db2.gz BYDXAQDZIAYPCT-NEPJUHHUSA-N 0 3 297.355 -1.223 20 0 CAADHN CN1CC[C@H]2OCCN(C(=O)CN3CCOCC3=O)[C@@H]2C1 ZINC000328986731 252094693 /nfs/dbraw/zinc/09/46/93/252094693.db2.gz BYDXAQDZIAYPCT-VXGBXAGGSA-N 0 3 297.355 -1.223 20 0 CAADHN CN(CCNC(=O)C(=O)NC[C@@H]1COCCO1)C1CC1 ZINC000342674270 252127176 /nfs/dbraw/zinc/12/71/76/252127176.db2.gz SYKJFBZIADOSHA-LLVKDONJSA-N 0 3 285.344 -1.272 20 0 CAADHN COCCN1CN(C(=O)C(C)S(C)(=O)=O)CC1=O ZINC000330434195 252096589 /nfs/dbraw/zinc/09/65/89/252096589.db2.gz LHAOFRCQFWIRBG-MRVPVSSYSA-N 0 3 278.330 -1.306 20 0 CAADHN CC(C(=O)N[C@@H](CO)CN1CCOCC1)S(C)(=O)=O ZINC000330435248 252096826 /nfs/dbraw/zinc/09/68/26/252096826.db2.gz ATVXGUSPIVNHDT-VHSXEESVSA-N 0 3 294.373 -1.771 20 0 CAADHN CC(C(=O)N[C@@H](CO)CN1CCOCC1)S(C)(=O)=O ZINC000330435245 252096940 /nfs/dbraw/zinc/09/69/40/252096940.db2.gz ATVXGUSPIVNHDT-NXEZZACHSA-N 0 3 294.373 -1.771 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)CNS(=O)(=O)NC ZINC000330472355 252098462 /nfs/dbraw/zinc/09/84/62/252098462.db2.gz DXDHQQPVZWOYTC-VIFPVBQESA-N 0 3 278.378 -1.359 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1COCCN1C ZINC000330553047 252099972 /nfs/dbraw/zinc/09/99/72/252099972.db2.gz FSJGZCNZJYRNQF-JQWIXIFHSA-N 0 3 259.350 -1.254 20 0 CAADHN C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000330647531 252101513 /nfs/dbraw/zinc/10/15/13/252101513.db2.gz VKLSUZCVTOLSQQ-NXEZZACHSA-N 0 3 298.343 -1.548 20 0 CAADHN C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CN1CC(=O)[N-]C1=O ZINC000330647531 252101516 /nfs/dbraw/zinc/10/15/16/252101516.db2.gz VKLSUZCVTOLSQQ-NXEZZACHSA-N 0 3 298.343 -1.548 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000330646805 252101641 /nfs/dbraw/zinc/10/16/41/252101641.db2.gz MOFZLQBEFHYMTG-SNVBAGLBSA-N 0 3 298.343 -1.283 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)CN1CCN(C)C(=O)C1 ZINC000330669344 252103226 /nfs/dbraw/zinc/10/32/26/252103226.db2.gz CZQDASXPKZJNIH-JTQLQIEISA-N 0 3 256.350 -1.173 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)Cn1ccc(=O)n(C)c1=O ZINC000330685772 252103671 /nfs/dbraw/zinc/10/36/71/252103671.db2.gz UWJFCFPTIZPBDW-VIFPVBQESA-N 0 3 268.317 -1.387 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)Cn1ncn(C)c1=O ZINC000330713418 252104235 /nfs/dbraw/zinc/10/42/35/252104235.db2.gz BJMCIXFLNUBPCQ-NSHDSACASA-N 0 3 271.321 -1.989 20 0 CAADHN CN(CCNC(=O)C(=O)NC[C@H]1COCCO1)C1CC1 ZINC000342674284 252126326 /nfs/dbraw/zinc/12/63/26/252126326.db2.gz SYKJFBZIADOSHA-NSHDSACASA-N 0 3 285.344 -1.272 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H](CO)CN1CCCCC1 ZINC000330800490 252107776 /nfs/dbraw/zinc/10/77/76/252107776.db2.gz IUDSPCVMVSJWCG-SNVBAGLBSA-N 0 3 268.321 -1.364 20 0 CAADHN CN(C)C[C@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)CCO1 ZINC000330812878 252107990 /nfs/dbraw/zinc/10/79/90/252107990.db2.gz NPJDARFOBVMLFD-JTQLQIEISA-N 0 3 296.327 -1.262 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1COCCO1 ZINC000342671430 252126569 /nfs/dbraw/zinc/12/65/69/252126569.db2.gz RMDWQNWEZYADRP-SNVBAGLBSA-N 0 3 273.333 -1.462 20 0 CAADHN COC(=O)CNC(=O)CCN1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000331189726 252114370 /nfs/dbraw/zinc/11/43/70/252114370.db2.gz QFDYTEWTYPFEKI-GHMZBOCLSA-N 0 3 285.344 -1.320 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1C[C@@H](O)[C@@H](O)C1 ZINC000331293944 252118131 /nfs/dbraw/zinc/11/81/31/252118131.db2.gz MBCMTLWCOQTFCR-DTORHVGOSA-N 0 3 260.290 -1.955 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCCO2)C[C@@H]1N(C)C ZINC000342674262 252126859 /nfs/dbraw/zinc/12/68/59/252126859.db2.gz XMRILKXEPNQHMG-WOPDTQHZSA-N 0 3 299.371 -1.074 20 0 CAADHN C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C ZINC000332504470 252119409 /nfs/dbraw/zinc/11/94/09/252119409.db2.gz VCOMLAVHPDUCNX-MWLCHTKSSA-N 0 3 295.405 -1.305 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N(C)[C@H]2CCNC2=O)CC1=O ZINC000340454644 252121106 /nfs/dbraw/zinc/12/11/06/252121106.db2.gz HHVMSSCYDWBXMI-QWRGUYRKSA-N 0 3 296.371 -1.257 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NC[C@H]2COCCO2)C[C@H]1N(C)C ZINC000342674251 252126972 /nfs/dbraw/zinc/12/69/72/252126972.db2.gz XMRILKXEPNQHMG-GRYCIOLGSA-N 0 3 299.371 -1.074 20 0 CAADHN CN(C)[C@H]1CCN(C(=O)C(=O)NC[C@H]2COCCO2)C1 ZINC000342650301 252127030 /nfs/dbraw/zinc/12/70/30/252127030.db2.gz QGXDYIFVMSBRSE-QWRGUYRKSA-N 0 3 285.344 -1.320 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2CC[C@H](CO)C2)n1 ZINC000342370491 252122367 /nfs/dbraw/zinc/12/23/67/252122367.db2.gz OQJSZPZPNHDXBF-JTQLQIEISA-N 0 3 296.375 -1.242 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H](C)CCO)n1 ZINC000342417760 252122412 /nfs/dbraw/zinc/12/24/12/252122412.db2.gz VTXCBOZZIADQEL-JTQLQIEISA-N 0 3 298.391 -1.208 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H](CO)C(C)C)n1 ZINC000342589039 252124841 /nfs/dbraw/zinc/12/48/41/252124841.db2.gz YDIBJZWESABNQR-SNVBAGLBSA-N 0 3 298.391 -1.209 20 0 CAADHN CC1CCN(C[C@@H](O)CNS(N)(=O)=O)CC1 ZINC000067408900 252077598 /nfs/dbraw/zinc/07/75/98/252077598.db2.gz POPSJZNLZHHPQA-VIFPVBQESA-N 0 3 251.352 -1.128 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000263252101 252079848 /nfs/dbraw/zinc/07/98/48/252079848.db2.gz PGESTGGXOSAKPC-RNCFNFMXSA-N 0 3 296.371 -1.035 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000263252102 252080142 /nfs/dbraw/zinc/08/01/42/252080142.db2.gz PGESTGGXOSAKPC-ZANVPECISA-N 0 3 296.371 -1.035 20 0 CAADHN CN1CCC[C@H]1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000264958966 252081706 /nfs/dbraw/zinc/08/17/06/252081706.db2.gz ZFBCHJWOZSWSCH-QMMMGPOBSA-N 0 3 282.300 -1.383 20 0 CAADHN CS(=O)(=O)NCCCNC(=O)C(N)C(F)(F)F ZINC000353125098 252138951 /nfs/dbraw/zinc/13/89/51/252138951.db2.gz FTRXHVFUMTUPQH-YFKPBYRVSA-N 0 3 277.268 -1.069 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)C(N)C(F)(F)F)CC1 ZINC000353124043 252139050 /nfs/dbraw/zinc/13/90/50/252139050.db2.gz DJKHTKTYJYYKPE-ZCFIWIBFSA-N 0 3 289.279 -1.020 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C3CC3)C2)C1=O ZINC000353709831 252139080 /nfs/dbraw/zinc/13/90/80/252139080.db2.gz LWOKGDPHKWMFRL-QMMMGPOBSA-N 0 3 294.311 -1.240 20 0 CAADHN COC[C@H](CO)NC(=O)NCCOCCN(C)C ZINC000354274004 252140228 /nfs/dbraw/zinc/14/02/28/252140228.db2.gz AFSRJUMDBRHIFU-JTQLQIEISA-N 0 3 263.338 -1.129 20 0 CAADHN C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCCN(C)C ZINC000354451702 252140553 /nfs/dbraw/zinc/14/05/53/252140553.db2.gz VAZUMNNJKJHUKB-WPRPVWTQSA-N 0 3 257.334 -1.060 20 0 CAADHN C[C@@H](CC(N)=O)NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000361051051 252170677 /nfs/dbraw/zinc/17/06/77/252170677.db2.gz CISVPVLOOIQVSV-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN COC[C@]1(CNC(=O)c2cn(C)c(=O)[n-]c2=O)CCC[NH2+]1 ZINC000357295677 252147873 /nfs/dbraw/zinc/14/78/73/252147873.db2.gz WTZACTRHSWPRDU-CYBMUJFWSA-N 0 3 296.327 -1.016 20 0 CAADHN C[C@@H](Cn1cncn1)NC(=O)C(=O)N(C)CCN(C)C ZINC000357483900 252149111 /nfs/dbraw/zinc/14/91/11/252149111.db2.gz ZIKLSJYEXYTUNM-JTQLQIEISA-N 0 3 282.348 -1.197 20 0 CAADHN CCS(=O)(=O)NCCS(=O)(=O)N(C)C1CNC1 ZINC000357492427 252150071 /nfs/dbraw/zinc/15/00/71/252150071.db2.gz YMVGULYONNBWRV-UHFFFAOYSA-N 0 3 285.391 -1.841 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)C(=O)NCC(=O)N(C)C ZINC000357583477 252150594 /nfs/dbraw/zinc/15/05/94/252150594.db2.gz OVEIBPLBFOVVEZ-QMMMGPOBSA-N 0 3 258.322 -1.743 20 0 CAADHN COC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000357711725 252151582 /nfs/dbraw/zinc/15/15/82/252151582.db2.gz VDWRVSMGCAOOJK-MNOVXSKESA-N 0 3 287.360 -1.480 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCC(N)=O)CC1=O ZINC000357843926 252151978 /nfs/dbraw/zinc/15/19/78/252151978.db2.gz YTWHVZSFYVVKPN-MRVPVSSYSA-N 0 3 256.306 -2.002 20 0 CAADHN COC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000357711724 252152123 /nfs/dbraw/zinc/15/21/23/252152123.db2.gz VDWRVSMGCAOOJK-GHMZBOCLSA-N 0 3 287.360 -1.480 20 0 CAADHN COc1ncc(NC(=O)[C@@H]2C[C@@H](O)CN2)cc1C(N)=O ZINC000357933912 252153817 /nfs/dbraw/zinc/15/38/17/252153817.db2.gz ZCFKSMVUHAQMNZ-APPZFPTMSA-N 0 3 280.284 -1.150 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CN2CCOCC2)C1 ZINC000358058878 252154887 /nfs/dbraw/zinc/15/48/87/252154887.db2.gz RJLIBTAMYUHUFE-GFCCVEGCSA-N 0 3 257.334 -1.499 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CN2CSCC2=O)C1 ZINC000358048401 252155050 /nfs/dbraw/zinc/15/50/50/252155050.db2.gz NBTGBYGKELLNEW-LLVKDONJSA-N 0 3 273.358 -1.298 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358059286 252155218 /nfs/dbraw/zinc/15/52/18/252155218.db2.gz DCRPFSCYXSUDEH-WCQYABFASA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CN2CSCC2=O)C1 ZINC000358048402 252155243 /nfs/dbraw/zinc/15/52/43/252155243.db2.gz NBTGBYGKELLNEW-NSHDSACASA-N 0 3 273.358 -1.298 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CCC(=O)N2CCOCC2)C1 ZINC000358068944 252155369 /nfs/dbraw/zinc/15/53/69/252155369.db2.gz RXGDPXAWRGHUAI-AWEZNQCLSA-N 0 3 299.371 -1.192 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC000358060563 252155632 /nfs/dbraw/zinc/15/56/32/252155632.db2.gz FHOFZLBCTYMPLD-CMPLNLGQSA-N 0 3 257.334 -1.500 20 0 CAADHN COCCN1C[C@H](C(=O)NC[C@@]2(O)CCN(C)C2)CC1=O ZINC000358082900 252155830 /nfs/dbraw/zinc/15/58/30/252155830.db2.gz VATVDTBZOHFPQN-RISCZKNCSA-N 0 3 299.371 -1.336 20 0 CAADHN C[C@H](CN(C)C)NC(=O)N1CCO[C@H](C(N)=O)C1 ZINC000358521400 252155845 /nfs/dbraw/zinc/15/58/45/252155845.db2.gz OXHZECRJMGAFRV-BDAKNGLRSA-N 0 3 258.322 -1.168 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358071974 252156076 /nfs/dbraw/zinc/15/60/76/252156076.db2.gz YJXGODMJKRKJTD-LLVKDONJSA-N 0 3 293.389 -1.549 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2ccc(C(N)=O)nc2)C1 ZINC000358067167 252156119 /nfs/dbraw/zinc/15/61/19/252156119.db2.gz PCFBQFGQARXFHB-ZDUSSCGKSA-N 0 3 278.312 -1.023 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)N1CCO[C@@H](C(N)=O)C1 ZINC000358521403 252156164 /nfs/dbraw/zinc/15/61/64/252156164.db2.gz OXHZECRJMGAFRV-DTWKUNHWSA-N 0 3 258.322 -1.168 20 0 CAADHN C[C@@H](C(=O)NC[C@]1(O)CCN(C)C1)N1CCOCC1 ZINC000358039571 252156358 /nfs/dbraw/zinc/15/63/58/252156358.db2.gz CPNYPHMIYJRRSV-WCQYABFASA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CC[C@](O)(CNC(=O)CN2CCCC2=O)C1 ZINC000358041129 252156433 /nfs/dbraw/zinc/15/64/33/252156433.db2.gz FPIVKBJUJRXNED-LBPRGKRZSA-N 0 3 255.318 -1.208 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)CNC(=O)c2cccnc2)C1 ZINC000358061490 252156534 /nfs/dbraw/zinc/15/65/34/252156534.db2.gz GOFOPABGFYZPAR-CQSZACIVSA-N 0 3 292.339 -1.006 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC000358064058 252156567 /nfs/dbraw/zinc/15/65/67/252156567.db2.gz KBYUODJNLOQOEE-BXKDBHETSA-N 0 3 255.318 -1.353 20 0 CAADHN C[C@@H](C(=O)NC[C@@]1(O)CCN(C)C1)N1CCOCC1 ZINC000358039559 252156574 /nfs/dbraw/zinc/15/65/74/252156574.db2.gz CPNYPHMIYJRRSV-AAEUAGOBSA-N 0 3 271.361 -1.110 20 0 CAADHN CC[C@H](C(=O)NCCN1CCNC(=O)C1)N(C)C ZINC000358538039 252157545 /nfs/dbraw/zinc/15/75/45/252157545.db2.gz UKBFRAGZJVUBBP-SNVBAGLBSA-N 0 3 256.350 -1.125 20 0 CAADHN CN(C)CCN(C)C(=O)NCCN1CCNC(=O)C1 ZINC000358562911 252157772 /nfs/dbraw/zinc/15/77/72/252157772.db2.gz AQFJRRMVXLGBIY-UHFFFAOYSA-N 0 3 271.365 -1.379 20 0 CAADHN CCCN(C)CC(=O)NCCNS(C)(=O)=O ZINC000359243054 252158854 /nfs/dbraw/zinc/15/88/54/252158854.db2.gz LMWSOEOOYOCQEE-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN CC(=O)N1CCN([C@@H]2CC(=O)N(CCN(C)C)C2=O)CC1 ZINC000359200694 252158977 /nfs/dbraw/zinc/15/89/77/252158977.db2.gz BDWFTRNVJFFGHS-GFCCVEGCSA-N 0 3 296.371 -1.160 20 0 CAADHN CC[C@@H](C(=O)NC(C(N)=O)C(N)=O)N(CC)CC ZINC000359163768 252159135 /nfs/dbraw/zinc/15/91/35/252159135.db2.gz WTLUJAUECWWGTI-ZETCQYMHSA-N 0 3 258.322 -1.438 20 0 CAADHN CC(=O)N1CCN([C@H]2CC(=O)N(CCN(C)C)C2=O)CC1 ZINC000359200696 252159618 /nfs/dbraw/zinc/15/96/18/252159618.db2.gz BDWFTRNVJFFGHS-LBPRGKRZSA-N 0 3 296.371 -1.160 20 0 CAADHN CC[C@H](C(=O)NC(C(N)=O)C(N)=O)N(CC)CC ZINC000359163767 252159641 /nfs/dbraw/zinc/15/96/41/252159641.db2.gz WTLUJAUECWWGTI-SSDOTTSWSA-N 0 3 258.322 -1.438 20 0 CAADHN CN(C)CCN1C(=O)C[C@H](N2CCC(C(N)=O)CC2)C1=O ZINC000359230568 252159706 /nfs/dbraw/zinc/15/97/06/252159706.db2.gz QUETWYSYUWPFRH-NSHDSACASA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C)[C@@H]1CN(C(=O)NCCN2CCOCC2)C[C@H]1O ZINC000359418582 252160701 /nfs/dbraw/zinc/16/07/01/252160701.db2.gz VJKCLQIRMRGLJG-VXGBXAGGSA-N 0 3 286.376 -1.365 20 0 CAADHN CC[C@H](C)N(C)CCNC(=O)C(=O)N1CCNC(=O)C1 ZINC000359280136 252161114 /nfs/dbraw/zinc/16/11/14/252161114.db2.gz WKMYXGAGVVHVFX-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN COC(=O)CNC(=O)CCN(C)[C@@]1(CO)CCOC1 ZINC000359571168 252162356 /nfs/dbraw/zinc/16/23/56/252162356.db2.gz KCVJVVHOHJWCPO-GFCCVEGCSA-N 0 3 274.317 -1.251 20 0 CAADHN C[C@@H](CNC(=O)CN1CN=NC1=O)CN1CCN(C)CC1 ZINC000359791751 252162508 /nfs/dbraw/zinc/16/25/08/252162508.db2.gz KIJZLMBDBHEIJY-NSHDSACASA-N 0 3 296.375 -1.017 20 0 CAADHN COC[C@H](CO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000359668850 252162905 /nfs/dbraw/zinc/16/29/05/252162905.db2.gz WWOUOLYEYFSIHN-QWRGUYRKSA-N 0 3 257.334 -1.500 20 0 CAADHN OCCOCCN(CCO)CCN1CCOCC1 ZINC000359609832 252163170 /nfs/dbraw/zinc/16/31/70/252163170.db2.gz HSCRWBKMRSAPNK-UHFFFAOYSA-N 0 3 262.350 -1.378 20 0 CAADHN C[C@H](CNC(=O)CN1CN=NC1=O)CN1CCN(C)CC1 ZINC000359791739 252163312 /nfs/dbraw/zinc/16/33/12/252163312.db2.gz KIJZLMBDBHEIJY-LLVKDONJSA-N 0 3 296.375 -1.017 20 0 CAADHN CNc1nc(N(C)C[C@@H](C)O)nc(N(C)C[C@H](C)O)n1 ZINC000360111356 252164997 /nfs/dbraw/zinc/16/49/97/252164997.db2.gz SNNYQNGZNRIQCK-DTORHVGOSA-N 0 3 284.364 -1.031 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N1CC(CO)C1 ZINC000360273468 252167108 /nfs/dbraw/zinc/16/71/08/252167108.db2.gz SHDVMLZZJORKSM-UHFFFAOYSA-N 0 3 273.333 -1.869 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N(C)[C@@H]1CCOC1 ZINC000360280055 252167200 /nfs/dbraw/zinc/16/72/00/252167200.db2.gz SAKPVHQQLIJNRL-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N(C)[C@H]1CCOC1 ZINC000360280056 252167223 /nfs/dbraw/zinc/16/72/23/252167223.db2.gz SAKPVHQQLIJNRL-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CN(C)CCOCCNS(=O)(=O)c1cnnn1C ZINC000360154628 252167272 /nfs/dbraw/zinc/16/72/72/252167272.db2.gz UHNKZQPYGSMWMA-UHFFFAOYSA-N 0 3 277.350 -1.328 20 0 CAADHN CC(CNC(=O)CN(C)C)CNC(=O)CN(C)C ZINC000360623891 252168111 /nfs/dbraw/zinc/16/81/11/252168111.db2.gz BWENZTRMIHGLER-UHFFFAOYSA-N 0 3 258.366 -1.022 20 0 CAADHN CN1CCC[C@H](N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC000361013777 252169934 /nfs/dbraw/zinc/16/99/34/252169934.db2.gz VLQODHKTCLCSQD-LBPRGKRZSA-N 0 3 293.375 -1.089 20 0 CAADHN CN(C)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2COCCO2)C1 ZINC000342650283 252127826 /nfs/dbraw/zinc/12/78/26/252127826.db2.gz QGXDYIFVMSBRSE-GHMZBOCLSA-N 0 3 285.344 -1.320 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CC[C@@H](NC(N)=O)C1 ZINC000342876106 252128530 /nfs/dbraw/zinc/12/85/30/252128530.db2.gz ONIVTCGUNIYTPC-SECBINFHSA-N 0 3 286.332 -1.250 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N(C)CCN(C)C)n1 ZINC000342785434 252129354 /nfs/dbraw/zinc/12/93/54/252129354.db2.gz JTCNRYWOEQLBCU-UHFFFAOYSA-N 0 3 297.407 -1.062 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H](C)C[C@@H](C)O)n1 ZINC000342830729 252130198 /nfs/dbraw/zinc/13/01/98/252130198.db2.gz KKSNDRKGXRGLRZ-NXEZZACHSA-N 0 3 298.391 -1.067 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCO1 ZINC000343274200 252131412 /nfs/dbraw/zinc/13/14/12/252131412.db2.gz KBUHHBYUCGUDMB-VXGBXAGGSA-N 0 3 297.355 -1.223 20 0 CAADHN CN(CCNC(=O)C(=O)N[C@@H]1CCCN(C)C1=O)C1CC1 ZINC000343307502 252131766 /nfs/dbraw/zinc/13/17/66/252131766.db2.gz TXJNDPVVCIUFAS-LLVKDONJSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)CC(=O)N1C ZINC000343298659 252131786 /nfs/dbraw/zinc/13/17/86/252131786.db2.gz GYJSKZRORFCNJO-SNVBAGLBSA-N 0 3 296.371 -1.114 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NCCC(C)(C)O)n1 ZINC000343027707 252132750 /nfs/dbraw/zinc/13/27/50/252132750.db2.gz QTVURWMHWKOCIX-UHFFFAOYSA-N 0 3 298.391 -1.065 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCCN(C)[C@@H]1C ZINC000345006795 252134437 /nfs/dbraw/zinc/13/44/37/252134437.db2.gz LKABFOOFQBEWIY-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CCS(=O)(=O)N(C)CCCNC(=O)[C@@H](CN)OC ZINC000353165111 252137523 /nfs/dbraw/zinc/13/75/23/252137523.db2.gz HASGDLUXGFHFQA-SECBINFHSA-N 0 3 281.378 -1.252 20 0 CAADHN CCS(=O)(=O)NCCCNC(=O)[C@@H](CN)OC ZINC000353174747 252137822 /nfs/dbraw/zinc/13/78/22/252137822.db2.gz FKMVUJTXLFVWDD-MRVPVSSYSA-N 0 3 267.351 -1.594 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCNC(=O)C1 ZINC000362974671 252179471 /nfs/dbraw/zinc/17/94/71/252179471.db2.gz YTXORFVNANZPCP-GHMZBOCLSA-N 0 3 282.344 -1.009 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCNC(=O)C1 ZINC000362974672 252180075 /nfs/dbraw/zinc/18/00/75/252180075.db2.gz YTXORFVNANZPCP-MNOVXSKESA-N 0 3 282.344 -1.009 20 0 CAADHN O=C(CNC(=O)[C@H]1CN2CCN1CCC2)NC1CC1 ZINC000363150986 252180831 /nfs/dbraw/zinc/18/08/31/252180831.db2.gz ZEQANZHZUAGKKM-LLVKDONJSA-N 0 3 266.345 -1.229 20 0 CAADHN O=C(CN1CCOCC1=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000363948273 252181781 /nfs/dbraw/zinc/18/17/81/252181781.db2.gz QRHWRQXOMZLMPD-NWDGAFQWSA-N 0 3 297.355 -1.175 20 0 CAADHN CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000367367857 252181946 /nfs/dbraw/zinc/18/19/46/252181946.db2.gz OCZHQWRYFKIMHC-JTQLQIEISA-N 0 3 282.344 -1.503 20 0 CAADHN O=C(CN1CCOCC1=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000363948272 252182070 /nfs/dbraw/zinc/18/20/70/252182070.db2.gz QRHWRQXOMZLMPD-NEPJUHHUSA-N 0 3 297.355 -1.175 20 0 CAADHN O=C(CN1CCOCC1=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000363948274 252182313 /nfs/dbraw/zinc/18/23/13/252182313.db2.gz QRHWRQXOMZLMPD-RYUDHWBXSA-N 0 3 297.355 -1.175 20 0 CAADHN O=C(CN1CCOCC1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000363948275 252182431 /nfs/dbraw/zinc/18/24/31/252182431.db2.gz QRHWRQXOMZLMPD-VXGBXAGGSA-N 0 3 297.355 -1.175 20 0 CAADHN Cn1c(=O)ccn(CC(=O)NC[C@@H]2C[C@H](F)CN2)c1=O ZINC000368650251 252185203 /nfs/dbraw/zinc/18/52/03/252185203.db2.gz AICFCNNNDJHDHJ-IUCAKERBSA-N 0 3 284.291 -1.637 20 0 CAADHN C[C@]1(C(N)=O)CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000361566680 252174427 /nfs/dbraw/zinc/17/44/27/252174427.db2.gz SCRNZUJRVSIXFX-YGRLFVJLSA-N 0 3 296.371 -1.092 20 0 CAADHN COC(=O)C[C@@]1(NCCCS(N)(=O)=O)CCOC1 ZINC000362270337 252176000 /nfs/dbraw/zinc/17/60/00/252176000.db2.gz ODKUBYYDHCGLTH-JTQLQIEISA-N 0 3 280.346 -1.023 20 0 CAADHN NC(=O)NC(=O)CCN(CCO)CCN1CCOCC1 ZINC000361943772 252176422 /nfs/dbraw/zinc/17/64/22/252176422.db2.gz DKDBCAZCJQTNES-UHFFFAOYSA-N 0 3 288.348 -1.802 20 0 CAADHN COC(=O)N1CC(NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000362116402 252176731 /nfs/dbraw/zinc/17/67/31/252176731.db2.gz CXAOSLSVJWLOFC-LLVKDONJSA-N 0 3 282.344 -1.057 20 0 CAADHN NC(=O)CN1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000362400194 252177402 /nfs/dbraw/zinc/17/74/02/252177402.db2.gz FRVTWTSYGRYYFH-LBPRGKRZSA-N 0 3 295.387 -1.994 20 0 CAADHN NC(=O)NC(=O)CCN1CCC[C@H](N2CCNCC2=O)C1 ZINC000362826626 252178021 /nfs/dbraw/zinc/17/80/21/252178021.db2.gz PAZYXUKFSFGNBA-JTQLQIEISA-N 0 3 297.359 -1.532 20 0 CAADHN CN(C)C(=O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000371258915 252191708 /nfs/dbraw/zinc/19/17/08/252191708.db2.gz QOWGPBBZDXBZNT-JTQLQIEISA-N 0 3 254.334 -1.419 20 0 CAADHN Cn1cnn(CC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1=O ZINC000371498988 252191974 /nfs/dbraw/zinc/19/19/74/252191974.db2.gz AMABHENDLLXDEN-QWRGUYRKSA-N 0 3 295.343 -1.439 20 0 CAADHN COCCNC(=O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000371250890 252192582 /nfs/dbraw/zinc/19/25/82/252192582.db2.gz DYHSVIGIARGFKQ-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN CN(C)C(=O)CN(C)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000372314180 252194180 /nfs/dbraw/zinc/19/41/80/252194180.db2.gz ZOKCIHPOYKHYER-NSHDSACASA-N 0 3 268.361 -1.077 20 0 CAADHN COC(=O)CNC(=O)CN1CC[C@@H](CN2CCOCC2)C1 ZINC000371755426 252194227 /nfs/dbraw/zinc/19/42/27/252194227.db2.gz MZMBYJRWPBJVFI-LBPRGKRZSA-N 0 3 299.371 -1.070 20 0 CAADHN CN(C)C(=O)CN(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000372314179 252194411 /nfs/dbraw/zinc/19/44/11/252194411.db2.gz ZOKCIHPOYKHYER-LLVKDONJSA-N 0 3 268.361 -1.077 20 0 CAADHN COC[C@@H](O)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000372852873 252195549 /nfs/dbraw/zinc/19/55/49/252195549.db2.gz ABXLDYKCTUHJSD-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN COC[C@H](O)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000372852872 252195564 /nfs/dbraw/zinc/19/55/64/252195564.db2.gz ABXLDYKCTUHJSD-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN COC[C@@H](O)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000372852874 252195746 /nfs/dbraw/zinc/19/57/46/252195746.db2.gz ABXLDYKCTUHJSD-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN COC[C@H](O)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000372852875 252196172 /nfs/dbraw/zinc/19/61/72/252196172.db2.gz ABXLDYKCTUHJSD-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@H]2CNCCO2)C1 ZINC000372500746 252196254 /nfs/dbraw/zinc/19/62/54/252196254.db2.gz DTBJLSLTMUHLEO-GHMZBOCLSA-N 0 3 257.334 -1.188 20 0 CAADHN CN(C)C(=O)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000372361537 252196588 /nfs/dbraw/zinc/19/65/88/252196588.db2.gz QVBAUBYPQRXKQY-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCN1CCO ZINC000373545189 252197298 /nfs/dbraw/zinc/19/72/98/252197298.db2.gz KVVWDCTTXOOZJG-ZIAGYGMSSA-N 0 3 296.415 -1.099 20 0 CAADHN C[C@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCN1CCO ZINC000373545168 252197842 /nfs/dbraw/zinc/19/78/42/252197842.db2.gz KVVWDCTTXOOZJG-KBPBESRZSA-N 0 3 296.415 -1.099 20 0 CAADHN COC(=O)[C@H](NC(=O)[C@H]1CN2CCN1CCC2)[C@H](C)O ZINC000373656494 252197927 /nfs/dbraw/zinc/19/79/27/252197927.db2.gz DVPWZBSEHCVMEF-HBNTYKKESA-N 0 3 285.344 -1.585 20 0 CAADHN CCN(CC(N)=O)C(=O)[C@H]1CN2CCN1CCC2 ZINC000373714387 252198513 /nfs/dbraw/zinc/19/85/13/252198513.db2.gz OOYZNBRPLPIWBU-SNVBAGLBSA-N 0 3 254.334 -1.290 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@H]2COCCN2)C1 ZINC000376719547 252203294 /nfs/dbraw/zinc/20/32/94/252203294.db2.gz DKQNZHJPWRRGQS-WDEREUQCSA-N 0 3 257.334 -1.188 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@@H]2COCCN2)C1 ZINC000376719545 252204342 /nfs/dbraw/zinc/20/43/42/252204342.db2.gz DKQNZHJPWRRGQS-QWRGUYRKSA-N 0 3 257.334 -1.188 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2C[C@@H](O)C[C@H]2CO)CC1=O ZINC000376940091 252205633 /nfs/dbraw/zinc/20/56/33/252205633.db2.gz QWEGMXBAPFOKRL-SRVKXCTJSA-N 0 3 299.371 -1.649 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000377468622 252205846 /nfs/dbraw/zinc/20/58/46/252205846.db2.gz CHCZDALSUSPOKH-NXEZZACHSA-N 0 3 266.305 -1.348 20 0 CAADHN O=C(CNC(=O)[C@@H]1CN2CCN1CCC2)N1CCOCC1 ZINC000378463388 252208074 /nfs/dbraw/zinc/20/80/74/252208074.db2.gz QCMGSLMQQWUPRV-LBPRGKRZSA-N 0 3 296.371 -1.649 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000378213035 252208379 /nfs/dbraw/zinc/20/83/79/252208379.db2.gz SIOGKZMTZSALRK-JTQLQIEISA-N 0 3 279.337 -1.208 20 0 CAADHN O=C(CNC(=O)[C@H]1CN2CCN1CCC2)N1CCOCC1 ZINC000378463386 252208716 /nfs/dbraw/zinc/20/87/16/252208716.db2.gz QCMGSLMQQWUPRV-GFCCVEGCSA-N 0 3 296.371 -1.649 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCCN(C)CC1 ZINC000407999319 252213595 /nfs/dbraw/zinc/21/35/95/252213595.db2.gz VKLNOSQRSSNWPP-UHFFFAOYSA-N 0 3 264.351 -1.796 20 0 CAADHN COCCNCC(=O)NCCN1C(=O)CCCC1=O ZINC000405297366 252210670 /nfs/dbraw/zinc/21/06/70/252210670.db2.gz PQMVCKQAGYUDOR-UHFFFAOYSA-N 0 3 271.317 -1.122 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000407996503 252211337 /nfs/dbraw/zinc/21/13/37/252211337.db2.gz FOIVVNAUGNAXIM-PSASIEDQSA-N 0 3 290.389 -1.361 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000407995647 252212383 /nfs/dbraw/zinc/21/23/83/252212383.db2.gz JADNIOOPYFNXME-SECBINFHSA-N 0 3 278.378 -1.407 20 0 CAADHN Cn1cnn(CC(=O)N2CCNC(C)(C)C2)c1=O ZINC000408144111 252223522 /nfs/dbraw/zinc/22/35/22/252223522.db2.gz GOARUKATZQOKLK-UHFFFAOYSA-N 0 3 253.306 -1.208 20 0 CAADHN COCCN1CCN(C(=O)CNC(=O)CN)C[C@@H]1C ZINC000125230132 532950551 /nfs/dbraw/zinc/95/05/51/532950551.db2.gz ORDRMSLYCFRMIC-JTQLQIEISA-N 0 3 272.349 -1.760 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1 ZINC000408174619 252225494 /nfs/dbraw/zinc/22/54/94/252225494.db2.gz SXFLGKCLSRHUHV-NWDGAFQWSA-N 0 3 296.371 -1.650 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC1CCN(C2CC2)CC1 ZINC000407999957 252213806 /nfs/dbraw/zinc/21/38/06/252213806.db2.gz YGKZMMCDEAXSPH-UHFFFAOYSA-N 0 3 290.389 -1.217 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1 ZINC000408029719 252214319 /nfs/dbraw/zinc/21/43/19/252214319.db2.gz IRNFFBSZYSGYDJ-QWRGUYRKSA-N 0 3 282.344 -1.911 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CCNC(=O)CC1 ZINC000408028240 252214501 /nfs/dbraw/zinc/21/45/01/252214501.db2.gz RKYKUCLWFWWWFE-NSHDSACASA-N 0 3 266.345 -1.275 20 0 CAADHN O=C(NC[C@@H]1COCCO1)[C@H]1CN2CCN1CCC2 ZINC000408026887 252215303 /nfs/dbraw/zinc/21/53/03/252215303.db2.gz JNKVGRLGIJBRKC-VXGBXAGGSA-N 0 3 269.345 -1.092 20 0 CAADHN CNC(=O)N1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000408033381 252215338 /nfs/dbraw/zinc/21/53/38/252215338.db2.gz LJQVGYBCCUGDSV-GFCCVEGCSA-N 0 3 295.387 -1.140 20 0 CAADHN O=C(NC[C@H]1COCCO1)[C@H]1CN2CCN1CCC2 ZINC000408026884 252215744 /nfs/dbraw/zinc/21/57/44/252215744.db2.gz JNKVGRLGIJBRKC-NWDGAFQWSA-N 0 3 269.345 -1.092 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN2C(=O)NC[C@@H]2C1 ZINC000408035705 252217102 /nfs/dbraw/zinc/21/71/02/252217102.db2.gz ZGNFIDOQWZJLGJ-NEPJUHHUSA-N 0 3 293.371 -1.388 20 0 CAADHN CC(C(=O)N1CCN(C(=O)[C@@H](C)O)CC1)S(C)(=O)=O ZINC000408046648 252217823 /nfs/dbraw/zinc/21/78/23/252217823.db2.gz XPQDLVQDXJSYTR-RKDXNWHRSA-N 0 3 292.357 -1.529 20 0 CAADHN CC(C(=O)N1CCN(C[C@H](C)O)CC1)S(C)(=O)=O ZINC000408376625 252237549 /nfs/dbraw/zinc/23/75/49/252237549.db2.gz SXGUIMUTWIAFJK-UWVGGRQHSA-N 0 3 278.374 -1.056 20 0 CAADHN CN1CCN(CC(=O)N2CCNC(C)(C)C2)CC1=O ZINC000408437516 252240222 /nfs/dbraw/zinc/24/02/22/252240222.db2.gz WHOBSLKBHPXXLP-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN CCCN(C)CC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000408221271 252228058 /nfs/dbraw/zinc/22/80/58/252228058.db2.gz FPBWMCLGHBGMFI-UHFFFAOYSA-N 0 3 278.378 -1.324 20 0 CAADHN O=C(N[C@@H]1CNC(=O)C1)[C@H]1CN2CCN1CCC2 ZINC000408203480 252228830 /nfs/dbraw/zinc/22/88/30/252228830.db2.gz QPDAFLOFWAOFRN-VHSXEESVSA-N 0 3 252.318 -1.619 20 0 CAADHN O=C(N[C@H]1CNC(=O)C1)[C@@H]1CN2CCN1CCC2 ZINC000408203482 252228902 /nfs/dbraw/zinc/22/89/02/252228902.db2.gz QPDAFLOFWAOFRN-ZJUUUORDSA-N 0 3 252.318 -1.619 20 0 CAADHN C[C@@H]([NH3+])CCNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000429043758 532954521 /nfs/dbraw/zinc/95/45/21/532954521.db2.gz ILGMOOCCGPOVQL-MRVPVSSYSA-N 0 3 289.361 -1.448 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@H](CO)O1 ZINC000408280053 252233640 /nfs/dbraw/zinc/23/36/40/252233640.db2.gz MQNNLQWSCHUEDW-UPJWGTAASA-N 0 3 283.372 -1.016 20 0 CAADHN C[C@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CC(=O)N1 ZINC000408467667 252242637 /nfs/dbraw/zinc/24/26/37/252242637.db2.gz OYBRMQHFDHGBGQ-QWRGUYRKSA-N 0 3 266.345 -1.277 20 0 CAADHN C[NH+](C)C[C@@](C)(O)C[N-]S(=O)(=O)C1COC1 ZINC000408365136 252235721 /nfs/dbraw/zinc/23/57/21/252235721.db2.gz OXSQDFFVKYTAGE-VIFPVBQESA-N 0 3 252.336 -1.383 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CC(=O)N1 ZINC000410464569 252242660 /nfs/dbraw/zinc/24/26/60/252242660.db2.gz DRQXWGSVNLLBRX-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN O=C(NC[C@]1(O)CN2CCC1CC2)[C@@]1(O)CCOC1 ZINC000516314170 252253790 /nfs/dbraw/zinc/25/37/90/252253790.db2.gz YRVKUXIPSGQDBP-OLZOCXBDSA-N 0 3 270.329 -1.289 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CCN(S(N)(=O)=O)CC2)C1 ZINC000516310192 252254530 /nfs/dbraw/zinc/25/45/30/252254530.db2.gz FWLZDDSIYTZCGS-JTQLQIEISA-N 0 3 290.389 -1.324 20 0 CAADHN CC[C@@]1(CO)CCCN1C(=O)C(=O)NC1CNC1 ZINC000516168543 252254729 /nfs/dbraw/zinc/25/47/29/252254729.db2.gz XLFPONWFVRXCOF-LBPRGKRZSA-N 0 3 255.318 -1.162 20 0 CAADHN CC(C)OC(=O)CCCNC(=O)C(=O)NC1CNC1 ZINC000516027388 252254748 /nfs/dbraw/zinc/25/47/48/252254748.db2.gz JMWIWFNAAIKUNS-UHFFFAOYSA-N 0 3 271.317 -1.078 20 0 CAADHN N[C@H]1C[C@H]2CN(CC(=O)Nc3ccncc3)CCN2C1=O ZINC000516315360 252254947 /nfs/dbraw/zinc/25/49/47/252254947.db2.gz LNYFRZHSROIWDB-RYUDHWBXSA-N 0 3 289.339 -1.314 20 0 CAADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@]1(O)CCOC1 ZINC000516314171 252254953 /nfs/dbraw/zinc/25/49/53/252254953.db2.gz YRVKUXIPSGQDBP-QWHCGFSZSA-N 0 3 270.329 -1.289 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410453629 252243082 /nfs/dbraw/zinc/24/30/82/252243082.db2.gz SEVGCKNXHVTZNX-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000410455763 252243198 /nfs/dbraw/zinc/24/31/98/252243198.db2.gz WOROYCHNIUFUSJ-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@@H]1C(=O)NCCN1C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000410455762 252243232 /nfs/dbraw/zinc/24/32/32/252243232.db2.gz WOROYCHNIUFUSJ-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC(=O)N1 ZINC000410917184 252244153 /nfs/dbraw/zinc/24/41/53/252244153.db2.gz UIOGALZXCPQIHN-JTQLQIEISA-N 0 3 296.371 -1.114 20 0 CAADHN CCN1CCN(CC(=O)NCC2(N(C)C)CC2)C(=O)C1=O ZINC000416300911 252246899 /nfs/dbraw/zinc/24/68/99/252246899.db2.gz JQLSJVRPSASMDX-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CO[C@H]1C[C@H](NC(=O)C(=O)N(CCN)CCO)C12CCC2 ZINC000418980853 252247792 /nfs/dbraw/zinc/24/77/92/252247792.db2.gz FUEMKGQTBPNLGA-QWRGUYRKSA-N 0 3 299.371 -1.160 20 0 CAADHN CC1(C)SC[C@@H]1NC(=O)C(=O)N(CCN)CCO ZINC000418900892 252247884 /nfs/dbraw/zinc/24/78/84/252247884.db2.gz KROCRKZWVAONIY-QMMMGPOBSA-N 0 3 275.374 -1.224 20 0 CAADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000418804301 252248068 /nfs/dbraw/zinc/24/80/68/252248068.db2.gz MHFQETLCLOWWQI-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN CN1C[C@H](NC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1=O ZINC000418813581 252248187 /nfs/dbraw/zinc/24/81/87/252248187.db2.gz YNZFYYXHUNXPNW-GHMZBOCLSA-N 0 3 296.371 -1.033 20 0 CAADHN CCCC[C@H](CN)NC(=O)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000418804297 252248221 /nfs/dbraw/zinc/24/82/21/252248221.db2.gz MHFQETLCLOWWQI-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN CN1C[C@H](NC(=O)C(=O)N2CCCC[C@H]2CN)CC1=O ZINC000418807711 252248334 /nfs/dbraw/zinc/24/83/34/252248334.db2.gz QARPVPRLRTWMHA-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CO[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN)CCO)C12CCC2 ZINC000418980841 252248450 /nfs/dbraw/zinc/24/84/50/252248450.db2.gz FUEMKGQTBPNLGA-GHMZBOCLSA-N 0 3 299.371 -1.160 20 0 CAADHN CN1C[C@@H](NC(=O)C(=O)N[C@H](CN)C2CCCC2)CC1=O ZINC000418813584 252248506 /nfs/dbraw/zinc/24/85/06/252248506.db2.gz YNZFYYXHUNXPNW-WDEREUQCSA-N 0 3 296.371 -1.033 20 0 CAADHN COC(=O)CNC(=O)CCN[C@H](CO)[C@@H]1CCCO1 ZINC000447912334 252248939 /nfs/dbraw/zinc/24/89/39/252248939.db2.gz GHMAOWVEXPJCLD-ZJUUUORDSA-N 0 3 274.317 -1.205 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H](CO)[C@H]1CCCO1 ZINC000447907643 252249003 /nfs/dbraw/zinc/24/90/03/252249003.db2.gz ADUWBAZANPJAFY-DJLDLDEBSA-N 0 3 259.306 -1.040 20 0 CAADHN O=C(CN[C@H](CO)[C@@H]1CCCO1)N1CCOCC1 ZINC000447909854 252249249 /nfs/dbraw/zinc/24/92/49/252249249.db2.gz DULQDEUBUYJRLW-MNOVXSKESA-N 0 3 258.318 -1.025 20 0 CAADHN COC(=O)CNC(=O)CCN[C@@H](CO)[C@H]1CCCO1 ZINC000447912333 252249391 /nfs/dbraw/zinc/24/93/91/252249391.db2.gz GHMAOWVEXPJCLD-VHSXEESVSA-N 0 3 274.317 -1.205 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(CCN(C)C)C1CC1 ZINC000514825904 252251090 /nfs/dbraw/zinc/25/10/90/252251090.db2.gz SCUQAMCVQTVJCT-UHFFFAOYSA-N 0 3 278.378 -1.407 20 0 CAADHN CC[C@H](N)C(=O)NCCn1cc(C(=O)OC)nn1 ZINC000514857479 252251265 /nfs/dbraw/zinc/25/12/65/252251265.db2.gz RORIKAFMQIXXCU-ZETCQYMHSA-N 0 3 255.278 -1.082 20 0 CAADHN C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000515500349 252251829 /nfs/dbraw/zinc/25/18/29/252251829.db2.gz LEXDBUJJZQFKTN-DBIOUOCHSA-N 0 3 294.355 -1.471 20 0 CAADHN CCOC[C@@H](O)CNCCNS(=O)(=O)NC(C)C ZINC000515467613 252251945 /nfs/dbraw/zinc/25/19/45/252251945.db2.gz FVBUKLPHGITTRI-JTQLQIEISA-N 0 3 283.394 -1.194 20 0 CAADHN C[C@@H](CNCCN1CCNC(=O)C1)S(C)(=O)=O ZINC000514933311 252252227 /nfs/dbraw/zinc/25/22/27/252252227.db2.gz SWOLCKQCMSHAPU-VIFPVBQESA-N 0 3 263.363 -1.559 20 0 CAADHN Cn1nncc1CNCCCN1CCNC(=O)C1 ZINC000515311494 252252259 /nfs/dbraw/zinc/25/22/59/252252259.db2.gz MCMRGMOZKSBBKU-UHFFFAOYSA-N 0 3 252.322 -1.273 20 0 CAADHN C[C@@H]1C[C@@H]1CNC(=O)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000515500351 252252813 /nfs/dbraw/zinc/25/28/13/252252813.db2.gz LEXDBUJJZQFKTN-ZNSHCXBVSA-N 0 3 294.355 -1.471 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCNC[C@@H]2C)C1 ZINC000419727457 532975759 /nfs/dbraw/zinc/97/57/59/532975759.db2.gz LJGVKCWLMLQHDC-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2CCNCC2=O)C1 ZINC000430715474 532976118 /nfs/dbraw/zinc/97/61/18/532976118.db2.gz AQQSFLJECSJGDM-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC000333363742 532976199 /nfs/dbraw/zinc/97/61/99/532976199.db2.gz UTSKCQJZQFHRMC-SECBINFHSA-N 0 3 269.305 -1.179 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCNC[C@H]2C)C1 ZINC000419727459 532975191 /nfs/dbraw/zinc/97/51/91/532975191.db2.gz LJGVKCWLMLQHDC-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN C[NH2+][C@H](C)CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000261661505 532982874 /nfs/dbraw/zinc/98/28/74/532982874.db2.gz FXNIFPNZQUPHFL-MRVPVSSYSA-N 0 3 289.361 -1.578 20 0 CAADHN COCCNC(=O)CNC(=O)CNC[C@H]1CCCO1 ZINC000429765175 533000298 /nfs/dbraw/zinc/00/02/98/533000298.db2.gz WQNAXXLYENOCNE-SNVBAGLBSA-N 0 3 273.333 -1.366 20 0 CAADHN OC[C@@H]1C[C@@H](O)CN1C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001193635082 781975610 /nfs/dbraw/zinc/97/56/10/781975610.db2.gz DNBUOBFSCZQISS-USZNOCQGSA-N 0 3 261.318 -1.684 20 0 CAADHN COCCNCCNC(=O)CCC(=O)N1CCOCC1 ZINC000262420463 533019895 /nfs/dbraw/zinc/01/98/95/533019895.db2.gz BEDSBHLEJQQGIN-UHFFFAOYSA-N 0 3 287.360 -1.022 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000420179040 533020454 /nfs/dbraw/zinc/02/04/54/533020454.db2.gz FIDYFALXGGGOML-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN COc1ccnc(CNC(=O)C(=O)N(C)[C@H](C)CN)n1 ZINC000424543861 533043553 /nfs/dbraw/zinc/04/35/53/533043553.db2.gz KDCWLSIXLKCNLR-MRVPVSSYSA-N 0 3 281.316 -1.093 20 0 CAADHN O=C(CCc1c[nH]cn1)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001193602774 781975752 /nfs/dbraw/zinc/97/57/52/781975752.db2.gz ZMYCPBNXIPFYKT-VXGBXAGGSA-N 0 3 282.344 -1.114 20 0 CAADHN COc1ccnc(CNC(=O)C(=O)N[C@H](CN)C2CC2)n1 ZINC000424535558 533044774 /nfs/dbraw/zinc/04/47/74/533044774.db2.gz ANOPQNOGVKTPAK-SECBINFHSA-N 0 3 293.327 -1.045 20 0 CAADHN O=C(CCc1cnc[nH]1)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001193602774 781975765 /nfs/dbraw/zinc/97/57/65/781975765.db2.gz ZMYCPBNXIPFYKT-VXGBXAGGSA-N 0 3 282.344 -1.114 20 0 CAADHN COCC(=O)N1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000262100574 533060434 /nfs/dbraw/zinc/06/04/34/533060434.db2.gz MAJQBYISGIZPKO-UHFFFAOYSA-N 0 3 298.387 -1.401 20 0 CAADHN COCCOCCNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126281630 533078288 /nfs/dbraw/zinc/07/82/88/533078288.db2.gz RXBYDAIEELZMCJ-NSHDSACASA-N 0 3 275.349 -1.135 20 0 CAADHN COCC(C)(C)N1CCN(C(=O)[C@H](N)CC(N)=O)CC1 ZINC000424215267 533091788 /nfs/dbraw/zinc/09/17/88/533091788.db2.gz FINWHSNFZHFSOJ-SNVBAGLBSA-N 0 3 286.376 -1.242 20 0 CAADHN CNC(=O)[C@@H]1CN(C[C@H](O)CN(C)CCOC)CCO1 ZINC000574830800 335051154 /nfs/dbraw/zinc/05/11/54/335051154.db2.gz LNHJLHVXPDQBPN-NEPJUHHUSA-N 0 3 289.376 -1.628 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CC[C@H](CO)[C@@H](O)C1 ZINC000574841166 335051605 /nfs/dbraw/zinc/05/16/05/335051605.db2.gz VHEAKYIUOADZTJ-MNOVXSKESA-N 0 3 288.344 -1.317 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CC[C@@H](CO)[C@H](O)C1 ZINC000574841168 335051638 /nfs/dbraw/zinc/05/16/38/335051638.db2.gz VHEAKYIUOADZTJ-WDEREUQCSA-N 0 3 288.344 -1.317 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CC[C@H](CO)[C@H](O)C1 ZINC000574841165 335051703 /nfs/dbraw/zinc/05/17/03/335051703.db2.gz VHEAKYIUOADZTJ-GHMZBOCLSA-N 0 3 288.344 -1.317 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](O)CN1CCOCC1 ZINC000127437516 533113978 /nfs/dbraw/zinc/11/39/78/533113978.db2.gz CPZAHNQNFZBYQD-NWDGAFQWSA-N 0 3 262.350 -1.381 20 0 CAADHN COC(=O)[C@@]1(NC(=O)C[C@H]2CNCCO2)CCOC1 ZINC000430072851 533147200 /nfs/dbraw/zinc/14/72/00/533147200.db2.gz VPBPGALUZOPRGJ-JOYOIKCWSA-N 0 3 272.301 -1.187 20 0 CAADHN CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CN(C)C2CCC2)C1 ZINC001193791008 781976771 /nfs/dbraw/zinc/97/67/71/781976771.db2.gz ATDVCWZOUSZZBF-VXGBXAGGSA-N 0 3 298.387 -1.622 20 0 CAADHN CCN1CCC[C@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC000345297306 285264323 /nfs/dbraw/zinc/26/43/23/285264323.db2.gz UDKAVXOVABJBNN-QWRGUYRKSA-N 0 3 284.360 -1.033 20 0 CAADHN CN(C)C1(C(=O)N[C@@H]2CN(CCO)C[C@H]2O)CCC1 ZINC001193774597 781978028 /nfs/dbraw/zinc/97/80/28/781978028.db2.gz QCPHMUSNLJIFLL-GHMZBOCLSA-N 0 3 271.361 -1.376 20 0 CAADHN CO[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(CCN)CCO ZINC000419232316 533219321 /nfs/dbraw/zinc/21/93/21/533219321.db2.gz UJWBMNUFLVKJFO-QWRGUYRKSA-N 0 3 287.360 -1.160 20 0 CAADHN CC[C@@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000575058666 335060509 /nfs/dbraw/zinc/06/05/09/335060509.db2.gz OKDMJEBJXQUASM-MRVPVSSYSA-N 0 3 289.361 -1.448 20 0 CAADHN COCCN(C)[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC001193895818 781979687 /nfs/dbraw/zinc/97/96/87/781979687.db2.gz AIXMDPPQQYOJFD-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CN(CCCO)C[C@H]1O)N(C)C ZINC001194095914 781984388 /nfs/dbraw/zinc/98/43/88/781984388.db2.gz VSYYVWIZEYIKQQ-IJLUTSLNSA-N 0 3 273.377 -1.130 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@H](N(C)CCOC)C1 ZINC001194090320 781984716 /nfs/dbraw/zinc/98/47/16/781984716.db2.gz YHPQJBBKGFOSOF-JTQLQIEISA-N 0 3 293.389 -1.285 20 0 CAADHN CO[C@@H]1CN(C[C@@H](O)C2(O)CCOCC2)C[C@H]1O ZINC001194368145 781987920 /nfs/dbraw/zinc/98/79/20/781987920.db2.gz AQKCURCOENLBNC-GMTAPVOTSA-N 0 3 261.318 -1.420 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)[C@@H](CN)OC ZINC000227365722 533318649 /nfs/dbraw/zinc/31/86/49/533318649.db2.gz BOTUSIDQJHVWOT-SECBINFHSA-N 0 3 261.322 -1.477 20 0 CAADHN COCCN(C)CCNC(=O)N(C)[C@H]1COC[C@@H]1O ZINC000352776419 533315500 /nfs/dbraw/zinc/31/55/00/533315500.db2.gz CICQZNBJNODUNR-QWRGUYRKSA-N 0 3 275.349 -1.034 20 0 CAADHN COCCN(C)CCNC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000352776409 533315973 /nfs/dbraw/zinc/31/59/73/533315973.db2.gz CICQZNBJNODUNR-GHMZBOCLSA-N 0 3 275.349 -1.034 20 0 CAADHN COC(=O)[C@H](O)C1CCN(CCC(=O)NC(N)=O)CC1 ZINC000441241559 533360563 /nfs/dbraw/zinc/36/05/63/533360563.db2.gz SRXJPWDIINJEOY-SNVBAGLBSA-N 0 3 287.316 -1.183 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)CN)C[C@@H]1OC ZINC000423693992 533444440 /nfs/dbraw/zinc/44/44/40/533444440.db2.gz FIROAWFMWALGCO-BBBLOLIVSA-N 0 3 273.333 -1.336 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N(C)[C@H](C)CN)C[C@H]1OC ZINC000423713674 533444550 /nfs/dbraw/zinc/44/45/50/533444550.db2.gz FIROAWFMWALGCO-OPRDCNLKSA-N 0 3 273.333 -1.336 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CC2)C[C@@H]1OC ZINC000420068051 533448961 /nfs/dbraw/zinc/44/89/61/533448961.db2.gz UBKOJYSHOBYJQH-GARJFASQSA-N 0 3 285.344 -1.288 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N[C@H](CN)C2CC2)C[C@@H]1OC ZINC000420068054 533449578 /nfs/dbraw/zinc/44/95/78/533449578.db2.gz UBKOJYSHOBYJQH-MXWKQRLJSA-N 0 3 285.344 -1.288 20 0 CAADHN CS(=O)(=O)NCCNC(=O)C(N)C(F)(F)F ZINC000353180900 533398937 /nfs/dbraw/zinc/39/89/37/533398937.db2.gz LUTCBOPIHHPZHT-SCSAIBSYSA-N 0 3 263.241 -1.459 20 0 CAADHN CS(=O)(=O)NCCN[C@H](CO)[C@H]1CCCO1 ZINC000336718674 533400109 /nfs/dbraw/zinc/40/01/09/533400109.db2.gz XXDCAFBFRJPHEX-RKDXNWHRSA-N 0 3 252.336 -1.335 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)/C=C/CN(C)C ZINC000493488287 533522062 /nfs/dbraw/zinc/52/20/62/533522062.db2.gz NJVZQQGGTVLYKB-SNAWJCMRSA-N 0 3 257.290 -1.490 20 0 CAADHN COC(=O)CN(C)C(=O)CCN(CCO)C[C@@H](C)O ZINC000351939746 533473231 /nfs/dbraw/zinc/47/32/31/533473231.db2.gz WQPPGHAHVBWRLT-SNVBAGLBSA-N 0 3 276.333 -1.317 20 0 CAADHN COC(=O)CN(C)C(=O)CCN(CCO)CCO ZINC000441493598 533473258 /nfs/dbraw/zinc/47/32/58/533473258.db2.gz TWHCKGOESHCHEL-UHFFFAOYSA-N 0 3 262.306 -1.706 20 0 CAADHN COC(=O)CN(C)C(=O)CCN(C)[C@H]1COC[C@@H]1O ZINC000352813529 533474143 /nfs/dbraw/zinc/47/41/43/533474143.db2.gz DGEFYDQHNTWTOB-UWVGGRQHSA-N 0 3 274.317 -1.301 20 0 CAADHN COC(=O)CNC(=O)CCN(C)[C@H]1COC[C@@H]1O ZINC000352814765 533515729 /nfs/dbraw/zinc/51/57/29/533515729.db2.gz JMYWDECDSLRICB-IUCAKERBSA-N 0 3 260.290 -1.643 20 0 CAADHN COC(=O)CNC(=O)CCN(CCO)C[C@H](C)O ZINC000351939669 533516307 /nfs/dbraw/zinc/51/63/07/533516307.db2.gz WGAYQZBDSYKJDX-VIFPVBQESA-N 0 3 262.306 -1.659 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCNC(=O)C2)CCN1C ZINC000347977766 533595826 /nfs/dbraw/zinc/59/58/26/533595826.db2.gz OUMKAUOSPOFCNH-ZJUUUORDSA-N 0 3 282.344 -1.456 20 0 CAADHN CSCC[C@@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000131076713 533601443 /nfs/dbraw/zinc/60/14/43/533601443.db2.gz KSYIWZPJHGTSAW-MRVPVSSYSA-N 0 3 296.418 -1.586 20 0 CAADHN COC(=O)C[C@@H](NC(=O)C[C@H]1CNCCO1)C(=O)OC ZINC000430247548 533609460 /nfs/dbraw/zinc/60/94/60/533609460.db2.gz ZVFBIGQJFQDDJC-DTWKUNHWSA-N 0 3 288.300 -1.414 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CNCC1CC1 ZINC000423708169 533615058 /nfs/dbraw/zinc/61/50/58/533615058.db2.gz MCQLDDDWGBFLFG-SNVBAGLBSA-N 0 3 283.328 -1.124 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)CNC(=O)CN)CN1C1CC1 ZINC000347662788 533604494 /nfs/dbraw/zinc/60/44/94/533604494.db2.gz FCBXRIHLLVHBBR-RKDXNWHRSA-N 0 3 254.334 -1.197 20 0 CAADHN COC[C@H](O)CN1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194795422 781994981 /nfs/dbraw/zinc/99/49/81/781994981.db2.gz OBKQDDAUPMROPF-SNVBAGLBSA-N 0 3 288.348 -1.804 20 0 CAADHN COC(=O)[C@]1(NC(=O)C[C@H]2CNCCO2)CCOC1 ZINC000430072850 533630068 /nfs/dbraw/zinc/63/00/68/533630068.db2.gz VPBPGALUZOPRGJ-CABZTGNLSA-N 0 3 272.301 -1.187 20 0 CAADHN C[C@H](NC(=O)NC[C@@]1(O)CCN(C)C1)C(=O)N(C)C ZINC000358692614 533651951 /nfs/dbraw/zinc/65/19/51/533651951.db2.gz ZLOSNHDVEFTCDQ-CABZTGNLSA-N 0 3 272.349 -1.171 20 0 CAADHN C[C@@H](O)CN(CCN1C(=O)CNC1=O)[C@@H](C)CO ZINC000443336010 533654004 /nfs/dbraw/zinc/65/40/04/533654004.db2.gz QTCIVHMUKGQWDC-DTWKUNHWSA-N 0 3 259.306 -1.398 20 0 CAADHN C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000427583014 533663297 /nfs/dbraw/zinc/66/32/97/533663297.db2.gz KXCPHXWTIDHSBM-YUMQZZPRSA-N 0 3 254.290 -1.348 20 0 CAADHN C[C@H]1CC[NH2+]C[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000427583012 533671529 /nfs/dbraw/zinc/67/15/29/533671529.db2.gz KXCPHXWTIDHSBM-JGVFFNPUSA-N 0 3 254.290 -1.348 20 0 CAADHN CCN(C)CCNc1nc(NCCO)nc(NC(C)C)n1 ZINC000341801194 130038891 /nfs/dbraw/zinc/03/88/91/130038891.db2.gz TVQSWENDWBXGHF-UHFFFAOYSA-N 0 3 297.407 -1.275 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CCOC2)n1 ZINC000341837012 130083118 /nfs/dbraw/zinc/08/31/18/130083118.db2.gz ALEJZUQDBKBOON-JTQLQIEISA-N 0 3 296.375 -1.190 20 0 CAADHN CCN(C)CCNC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000341907000 130121569 /nfs/dbraw/zinc/12/15/69/130121569.db2.gz WAYQWARJBFYQCK-UHFFFAOYSA-N 0 3 292.405 -1.030 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000342082941 130245265 /nfs/dbraw/zinc/24/52/65/130245265.db2.gz NPCIUWDCYRGSHH-SNVBAGLBSA-N 0 3 272.349 -1.122 20 0 CAADHN COCCN1CC[C@@H](NC(=O)NCCc2nnnn2C)C1 ZINC000678505530 545608931 /nfs/dbraw/zinc/60/89/31/545608931.db2.gz NPZKCQLXNLUHBA-SNVBAGLBSA-N 0 3 297.363 -1.228 20 0 CAADHN COCCN1CC[C@H](NC(=O)NCCc2nnnn2C)C1 ZINC000678505529 545609074 /nfs/dbraw/zinc/60/90/74/545609074.db2.gz NPZKCQLXNLUHBA-JTQLQIEISA-N 0 3 297.363 -1.228 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)CNC(N)=O)CC1 ZINC001194802420 781996242 /nfs/dbraw/zinc/99/62/42/781996242.db2.gz GUUHJHPXRFXWCB-SECBINFHSA-N 0 3 258.322 -1.430 20 0 CAADHN O=S1(=O)CC[C@H](CNC[C@H](O)CN2CCOCC2)C1 ZINC000037982410 296490709 /nfs/dbraw/zinc/49/07/09/296490709.db2.gz IFEPBBOFPSHVFV-NEPJUHHUSA-N 0 3 292.401 -1.296 20 0 CAADHN O=S1(=O)CC[C@@H](CNC[C@@H](O)CN2CCOCC2)C1 ZINC000037982411 304793795 /nfs/dbraw/zinc/79/37/95/304793795.db2.gz IFEPBBOFPSHVFV-NWDGAFQWSA-N 0 3 292.401 -1.296 20 0 CAADHN Cn1[nH]cnc1=NC(=O)NCC1(O)CCN(C)CC1 ZINC000678661436 545609717 /nfs/dbraw/zinc/60/97/17/545609717.db2.gz LIVSRBFVIOIQLU-UHFFFAOYSA-N 0 3 268.321 -1.185 20 0 CAADHN COCCN1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC000679306343 545611154 /nfs/dbraw/zinc/61/11/54/545611154.db2.gz RWHMKVXGAKTISL-LLVKDONJSA-N 0 3 297.359 -1.191 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCc2nncn2C1 ZINC001152157695 781997744 /nfs/dbraw/zinc/99/77/44/781997744.db2.gz XVLYHESXQRUMCQ-UWVGGRQHSA-N 0 3 292.343 -1.565 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000227370746 285591768 /nfs/dbraw/zinc/59/17/68/285591768.db2.gz FUBCEBQFGUKANF-ZETCQYMHSA-N 0 3 266.323 -2.692 20 0 CAADHN Cn1cnn(CC(=O)NCCN2CCCC2)c1=O ZINC000679276155 545611301 /nfs/dbraw/zinc/61/13/01/545611301.db2.gz ZOUJVEZOCINHDY-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001194962190 781998082 /nfs/dbraw/zinc/99/80/82/781998082.db2.gz XDCNJOSFJOEWGZ-GHMZBOCLSA-N 0 3 297.359 -1.457 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CN1CCOCC1 ZINC000679370717 545611783 /nfs/dbraw/zinc/61/17/83/545611783.db2.gz RBDZSTYMHASPNM-LBPRGKRZSA-N 0 3 259.350 -1.253 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CN1CCOCC1 ZINC000679370714 545611799 /nfs/dbraw/zinc/61/17/99/545611799.db2.gz RBDZSTYMHASPNM-GFCCVEGCSA-N 0 3 259.350 -1.253 20 0 CAADHN CN1CCC[C@@H](NC(=O)NCCN2CCNC(=O)C2)C1 ZINC000679713682 545612082 /nfs/dbraw/zinc/61/20/82/545612082.db2.gz WJZSFWLWLIVTBD-LLVKDONJSA-N 0 3 283.376 -1.188 20 0 CAADHN O=C(NCCn1ccnn1)[C@H]1CN2CCN1CCC2 ZINC000679911301 545612809 /nfs/dbraw/zinc/61/28/09/545612809.db2.gz DGEJXUMPOUBBKM-LLVKDONJSA-N 0 3 264.333 -1.216 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCc2cn(C)nn2)CC1=O ZINC000680004663 545612887 /nfs/dbraw/zinc/61/28/87/545612887.db2.gz XKIJJTPOONSJTA-SNVBAGLBSA-N 0 3 294.359 -1.159 20 0 CAADHN C[C@@H](C(=O)NCCN[C@@H]1CCNC1=O)N1CCCCC1=O ZINC001152168006 781998720 /nfs/dbraw/zinc/99/87/20/781998720.db2.gz BQMMGBFQKSKCEL-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152157803 781998741 /nfs/dbraw/zinc/99/87/41/781998741.db2.gz ZFXXIHIGSSKDJH-SNVBAGLBSA-N 0 3 294.359 -1.366 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CN(C(C)C)C[C@H]1O ZINC001194997991 781999264 /nfs/dbraw/zinc/99/92/64/781999264.db2.gz WAMSHEIDXHFIME-RKDXNWHRSA-N 0 3 294.377 -2.390 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC(CO)CO)CC1=O ZINC000680454749 545613165 /nfs/dbraw/zinc/61/31/65/545613165.db2.gz RHNBOBJWMNOJPV-VIFPVBQESA-N 0 3 273.333 -2.134 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NC(CO)CO)CC1=O ZINC000680454743 545613468 /nfs/dbraw/zinc/61/34/68/545613468.db2.gz RHNBOBJWMNOJPV-SECBINFHSA-N 0 3 273.333 -2.134 20 0 CAADHN CCN(CCO)CCNC(=O)NCc1cn(C)nn1 ZINC000681115539 545613966 /nfs/dbraw/zinc/61/39/66/545613966.db2.gz NASFTQFZHHDGGJ-UHFFFAOYSA-N 0 3 270.337 -1.072 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)NCc2nnnn2C2CC2)C1 ZINC000680833814 545614064 /nfs/dbraw/zinc/61/40/64/545614064.db2.gz DXHHWKZJVNUANV-GFCCVEGCSA-N 0 3 295.347 -1.126 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)Nc2nccn(C)c2=O)C1 ZINC000680831002 545613802 /nfs/dbraw/zinc/61/38/02/545613802.db2.gz IXGUGIKYXUHPAM-GFCCVEGCSA-N 0 3 281.316 -1.032 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCc2nnnn2C2CC2)C1 ZINC000680833815 545614142 /nfs/dbraw/zinc/61/41/42/545614142.db2.gz DXHHWKZJVNUANV-LBPRGKRZSA-N 0 3 295.347 -1.126 20 0 CAADHN CN1CCN(CC(=O)NCCN2CCCC2)CC1=O ZINC000681950297 545616452 /nfs/dbraw/zinc/61/64/52/545616452.db2.gz VAGFKDKDWKQGOG-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN CN1CCC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC000681994613 545616552 /nfs/dbraw/zinc/61/65/52/545616552.db2.gz AWFBUCNYNLPSOO-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N[C@H]1CCCN(C)C1 ZINC000682202030 545617490 /nfs/dbraw/zinc/61/74/90/545617490.db2.gz CHOPCNJAGNIVOD-VIFPVBQESA-N 0 3 278.378 -1.071 20 0 CAADHN CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000497001128 285828259 /nfs/dbraw/zinc/82/82/59/285828259.db2.gz SAPQPUHNUVLKIE-SECBINFHSA-N 0 3 298.343 -1.189 20 0 CAADHN COC[C@@H](C)OC[C@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000683667166 545619706 /nfs/dbraw/zinc/61/97/06/545619706.db2.gz QURHMKZGNWLWIB-WISYIIOYSA-N 0 3 263.334 -1.174 20 0 CAADHN COC[C@H](C)OC[C@@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000683667168 545619726 /nfs/dbraw/zinc/61/97/26/545619726.db2.gz QURHMKZGNWLWIB-YFKTTZPYSA-N 0 3 263.334 -1.174 20 0 CAADHN COC[C@H](C)OC[C@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000683667165 545620150 /nfs/dbraw/zinc/62/01/50/545620150.db2.gz QURHMKZGNWLWIB-NNYUYHANSA-N 0 3 263.334 -1.174 20 0 CAADHN C[NH+](C)C[C@]1(O)CCCN(C(=O)CN2CC(=O)[N-]C2=O)C1 ZINC000683910650 545620282 /nfs/dbraw/zinc/62/02/82/545620282.db2.gz AGVBXNCZXPMIFE-CYBMUJFWSA-N 0 3 298.343 -1.547 20 0 CAADHN COCC(=O)N(C)CC(=O)NC[C@](C)(O)CN(C)C ZINC000340296691 292174266 /nfs/dbraw/zinc/17/42/66/292174266.db2.gz DNUDEYLIJLUJBD-LBPRGKRZSA-N 0 3 275.349 -1.480 20 0 CAADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CN1CCNCC1=O ZINC000237595791 297112497 /nfs/dbraw/zinc/11/24/97/297112497.db2.gz MGUBAWXAKXFRER-VHSXEESVSA-N 0 3 254.334 -1.373 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1cnn(C)c1 ZINC001152209185 782005791 /nfs/dbraw/zinc/00/57/91/782005791.db2.gz ZNFWPOZUUDUCEJ-UHFFFAOYSA-N 0 3 267.333 -1.196 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001195367007 782006090 /nfs/dbraw/zinc/00/60/90/782006090.db2.gz RSHPZPFDKSPUGL-GRYCIOLGSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C)[C@@H]2CN)CC(=O)N1 ZINC000423717981 296776741 /nfs/dbraw/zinc/77/67/41/296776741.db2.gz BLTXKRBLXUFACD-AXFHLTTASA-N 0 3 296.371 -1.081 20 0 CAADHN COCCN(CCN(C)C)C(=O)[C@H](C)NS(C)(=O)=O ZINC000340725204 292477250 /nfs/dbraw/zinc/47/72/50/292477250.db2.gz CZMOGSKCYAFTLQ-JTQLQIEISA-N 0 3 295.405 -1.039 20 0 CAADHN CC[C@@H](C(N)=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001273703148 782011266 /nfs/dbraw/zinc/01/12/66/782011266.db2.gz DDLPRGBEXUZMKV-NSHDSACASA-N 0 3 298.387 -1.275 20 0 CAADHN CS(=O)(=O)NCCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058395 409330388 /nfs/dbraw/zinc/33/03/88/409330388.db2.gz GCLGKAUXDOUUOM-YUMQZZPRSA-N 0 3 267.326 -1.258 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C[C@H]3CNCCO3)CCN2C1=O ZINC000662259627 409319568 /nfs/dbraw/zinc/31/95/68/409319568.db2.gz ZRMWLZANLXKRRM-MNOVXSKESA-N 0 3 282.344 -1.057 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C[C@H]2CNCCO2)C1 ZINC000662256706 409319799 /nfs/dbraw/zinc/31/97/99/409319799.db2.gz YFASFYIMMOIYKR-NXEZZACHSA-N 0 3 263.363 -1.402 20 0 CAADHN CO[C@@](C)(CO)CNC(=O)C(C)S(C)(=O)=O ZINC000655208371 409320040 /nfs/dbraw/zinc/32/00/40/409320040.db2.gz BFQOQGGAILYMGW-IONNQARKSA-N 0 3 253.320 -1.067 20 0 CAADHN Cn1ccnc(N2CCN(C[C@@H]3CNCCO3)CC2)c1=O ZINC000662263041 409320085 /nfs/dbraw/zinc/32/00/85/409320085.db2.gz KJKUJQBCIXKOLJ-LBPRGKRZSA-N 0 3 293.371 -1.109 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000662254893 409320160 /nfs/dbraw/zinc/32/01/60/409320160.db2.gz MMJDMTFQYOZTBK-WDEREUQCSA-N 0 3 277.390 -1.012 20 0 CAADHN CS(=O)(=O)N[C@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000662256718 409320261 /nfs/dbraw/zinc/32/02/61/409320261.db2.gz YFASFYIMMOIYKR-UWVGGRQHSA-N 0 3 263.363 -1.402 20 0 CAADHN O=C1CNCCN1[C@H]1CCCN(C[C@@H]2CNCCO2)C1 ZINC000662266756 409320425 /nfs/dbraw/zinc/32/04/25/409320425.db2.gz LYCFEJDROHZWLZ-STQMWFEESA-N 0 3 282.388 -1.129 20 0 CAADHN CO[C@@](C)(CO)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000655214512 409322226 /nfs/dbraw/zinc/32/22/26/409322226.db2.gz BDPBDKSJPCFDFF-WCQYABFASA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2)S1(=O)=O ZINC000648141153 409322434 /nfs/dbraw/zinc/32/24/34/409322434.db2.gz HPTCYSPXKURCTR-XHNCKOQMSA-N 0 3 279.337 -1.164 20 0 CAADHN CN1CC(=O)N(CC(=O)NC[C@@H]2C[C@H](F)CN2)C1=O ZINC000648140901 409322550 /nfs/dbraw/zinc/32/25/50/409322550.db2.gz PJUVOTDQKLSMQC-YUMQZZPRSA-N 0 3 272.280 -1.303 20 0 CAADHN CN1CCN(C(=O)c2ccn3nnnc3c2)[C@H](CN)C1 ZINC000662428578 409323206 /nfs/dbraw/zinc/32/32/06/409323206.db2.gz JRJGSITZQYDYSJ-SNVBAGLBSA-N 0 3 275.316 -1.161 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000646940943 409325925 /nfs/dbraw/zinc/32/59/25/409325925.db2.gz QFZLOTRGBGEUJB-NOZJJQNGSA-N 0 3 296.375 -1.360 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)CN2CCN(C)C(=O)C2)C1 ZINC000646917935 409326204 /nfs/dbraw/zinc/32/62/04/409326204.db2.gz KACJDKDPGRNARG-RYUDHWBXSA-N 0 3 280.372 -1.077 20 0 CAADHN CCC[C@@H](C(=O)NC[C@@](C)(O)CN(C)C)S(N)(=O)=O ZINC000646940359 409326352 /nfs/dbraw/zinc/32/63/52/409326352.db2.gz DLEFGQUZUPZFGX-GXSJLCMTSA-N 0 3 295.405 -1.128 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NC[C@@](C)(O)CN(C)C ZINC000646941100 409326391 /nfs/dbraw/zinc/32/63/91/409326391.db2.gz TXFHGPORSIGBRU-GXSJLCMTSA-N 0 3 295.405 -1.257 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000646940944 409326511 /nfs/dbraw/zinc/32/65/11/409326511.db2.gz QFZLOTRGBGEUJB-RNCFNFMXSA-N 0 3 296.375 -1.360 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000646925683 409326532 /nfs/dbraw/zinc/32/65/32/409326532.db2.gz STTVNWTVNPCXLI-IUCAKERBSA-N 0 3 276.362 -1.797 20 0 CAADHN CC[C@@H](NC)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000662527643 409326664 /nfs/dbraw/zinc/32/66/64/409326664.db2.gz XGLMELTUIDGTMU-SNVBAGLBSA-N 0 3 277.390 -1.169 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@H]1CCN=C2C1=NNN2C ZINC000646940945 409326781 /nfs/dbraw/zinc/32/67/81/409326781.db2.gz QFZLOTRGBGEUJB-TVQRCGJNSA-N 0 3 296.375 -1.360 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC000646925682 409326877 /nfs/dbraw/zinc/32/68/77/409326877.db2.gz STTVNWTVNPCXLI-DTWKUNHWSA-N 0 3 276.362 -1.797 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NC[C@](C)(O)CN(C)C ZINC000646941101 409327218 /nfs/dbraw/zinc/32/72/18/409327218.db2.gz TXFHGPORSIGBRU-KOLCDFICSA-N 0 3 295.405 -1.257 20 0 CAADHN COCCNCCNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000646906122 409327275 /nfs/dbraw/zinc/32/72/75/409327275.db2.gz RPHLQMDTVIMFLD-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN C[C@@H]([NH3+])CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000647021163 409328088 /nfs/dbraw/zinc/32/80/88/409328088.db2.gz BXHLMBGPLLWGOZ-SSDOTTSWSA-N 0 3 275.334 -1.838 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@](O)(CN(C)C)C1 ZINC000647624937 409357067 /nfs/dbraw/zinc/35/70/67/409357067.db2.gz QOWCPMASGKVGEO-GFCCVEGCSA-N 0 3 272.349 -1.170 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000407999332 409357389 /nfs/dbraw/zinc/35/73/89/409357389.db2.gz VQEZROMSVFNXEC-VHSXEESVSA-N 0 3 292.405 -1.019 20 0 CAADHN CN1CC[C@H](C(=O)N2CCCNCC2)S1(=O)=O ZINC000647615140 409357561 /nfs/dbraw/zinc/35/75/61/409357561.db2.gz KXCSZPIPBTYIGF-SECBINFHSA-N 0 3 261.347 -1.158 20 0 CAADHN C[C@@H](CNC(=O)NC[C@H](C)S(N)(=O)=O)N(C)C ZINC000665044194 409358450 /nfs/dbraw/zinc/35/84/50/409358450.db2.gz QZKBUSGOBYYHAB-YUMQZZPRSA-N 0 3 266.367 -1.087 20 0 CAADHN CN(C)CC(=O)NC[C@@H]1CN(C(=O)CN(C)C)CCN1C ZINC000652497752 409400090 /nfs/dbraw/zinc/40/00/90/409400090.db2.gz GGPIXLBHHWXNLR-GFCCVEGCSA-N 0 3 299.419 -1.632 20 0 CAADHN CN(C)CCNC(=O)c1nc(N)nc(N2CCOCC2)n1 ZINC000568493963 409400194 /nfs/dbraw/zinc/40/01/94/409400194.db2.gz FNNWOVGKTRNZSG-UHFFFAOYSA-N 0 3 295.347 -1.418 20 0 CAADHN O=C(NCCN1CCCC1)[C@H]1CCS(=O)(=O)N1 ZINC000651027513 409368862 /nfs/dbraw/zinc/36/88/62/409368862.db2.gz JVBSDVAJPGJVOY-SECBINFHSA-N 0 3 261.347 -1.110 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)Cn1cnc(C(N)=O)n1 ZINC000651027607 409369047 /nfs/dbraw/zinc/36/90/47/409369047.db2.gz NGDJERDTQBRBJO-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN C[C@H](NC[C@H](O)CN1CCOCC1)[C@H]1CN(C)CCO1 ZINC000644602665 409370070 /nfs/dbraw/zinc/37/00/70/409370070.db2.gz JBTQMSWTWYWTKR-MELADBBJSA-N 0 3 287.404 -1.012 20 0 CAADHN C[C@H](NC[C@@H](O)CN1CCOCC1)[C@H]1CN(C)CCO1 ZINC000644602663 409370230 /nfs/dbraw/zinc/37/02/30/409370230.db2.gz JBTQMSWTWYWTKR-BFHYXJOUSA-N 0 3 287.404 -1.012 20 0 CAADHN CN(C)CC(=O)NC[C@H]1CN(C(=O)CN(C)C)CCN1C ZINC000652497753 409400397 /nfs/dbraw/zinc/40/03/97/409400397.db2.gz GGPIXLBHHWXNLR-LBPRGKRZSA-N 0 3 299.419 -1.632 20 0 CAADHN CN(CCNC(=O)[C@H]1CCS(=O)(=O)N1)C1CC1 ZINC000651176373 409371716 /nfs/dbraw/zinc/37/17/16/409371716.db2.gz IFZKKWJLBWKANO-SECBINFHSA-N 0 3 261.347 -1.112 20 0 CAADHN COCCN(C)CCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651098870 409372399 /nfs/dbraw/zinc/37/23/99/409372399.db2.gz KDZGXEPWDLSXGW-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN Cn1cnnc1N1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000655496550 409375234 /nfs/dbraw/zinc/37/52/34/409375234.db2.gz HINSVAHJSDMEFU-UHFFFAOYSA-N 0 3 294.359 -1.158 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000651272189 409375251 /nfs/dbraw/zinc/37/52/51/409375251.db2.gz XHNRPALPYHPLIF-VDDIYKPWSA-N 0 3 272.349 -1.138 20 0 CAADHN NC(=O)c1ncn(CC(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000651295911 409375948 /nfs/dbraw/zinc/37/59/48/409375948.db2.gz SFJGRAYVYMAHIO-SNVBAGLBSA-N 0 3 292.343 -1.023 20 0 CAADHN NC(=O)Cn1ccc(NC(=O)[C@@H]2CNCCC2(F)F)n1 ZINC000644051212 409376214 /nfs/dbraw/zinc/37/62/14/409376214.db2.gz XSPRIKUHBGIBSJ-ZETCQYMHSA-N 0 3 287.270 -0.448 20 0 CAADHN CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CN2CCC1CC2 ZINC000651307427 409376305 /nfs/dbraw/zinc/37/63/05/409376305.db2.gz AOTRRJDQFJZJNE-JTQLQIEISA-N 0 3 292.343 -1.070 20 0 CAADHN CN(C)CCN1CCN(c2ccc3nnnn3n2)CC1=O ZINC000651383893 409378342 /nfs/dbraw/zinc/37/83/42/409378342.db2.gz SHHRCADVEFFGJJ-UHFFFAOYSA-N 0 3 290.331 -1.271 20 0 CAADHN CN(C)CCN1CCN(c2nnnn2C)CC1=O ZINC000651383721 409378517 /nfs/dbraw/zinc/37/85/17/409378517.db2.gz JYFCUFVGZNVKBH-UHFFFAOYSA-N 0 3 253.310 -1.580 20 0 CAADHN C[C@H]1CCN(CCNC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000651422290 409378651 /nfs/dbraw/zinc/37/86/51/409378651.db2.gz UEZCWNKHQIFUMH-VIFPVBQESA-N 0 3 280.332 -1.165 20 0 CAADHN CN(C)CCN1CCN(c2ccc(C(N)=O)nn2)CC1=O ZINC000651383130 409378759 /nfs/dbraw/zinc/37/87/59/409378759.db2.gz LBQZENPEAXPPFG-UHFFFAOYSA-N 0 3 292.343 -1.214 20 0 CAADHN COCCCN(C)CCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000651382325 409379207 /nfs/dbraw/zinc/37/92/07/409379207.db2.gz HBAKHOSFTCAVNO-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN COC(=O)Cn1ccc(NC(=O)COC2CNC2)n1 ZINC000429985186 409381147 /nfs/dbraw/zinc/38/11/47/409381147.db2.gz PCVDUENFHADNOR-UHFFFAOYSA-N 0 3 268.273 -1.017 20 0 CAADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000651488756 409381245 /nfs/dbraw/zinc/38/12/45/409381245.db2.gz CQLIJXZMNDHZCT-SCZZXKLOSA-N 0 3 292.343 -1.024 20 0 CAADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cnc(C(N)=O)n1 ZINC000651488757 409381733 /nfs/dbraw/zinc/38/17/33/409381733.db2.gz CQLIJXZMNDHZCT-WCBMZHEXSA-N 0 3 292.343 -1.024 20 0 CAADHN C[C@@H]1CCN[C@@H](C(=O)NCC(=O)N2CCNCC2)C1 ZINC000647689903 409383694 /nfs/dbraw/zinc/38/36/94/409383694.db2.gz OUXKHWFTYLAXTB-GHMZBOCLSA-N 0 3 268.361 -1.078 20 0 CAADHN C[C@H]1CCN[C@@H](C(=O)NCC(=O)N2CCNCC2)C1 ZINC000647689906 409383966 /nfs/dbraw/zinc/38/39/66/409383966.db2.gz OUXKHWFTYLAXTB-WDEREUQCSA-N 0 3 268.361 -1.078 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC000644813080 409384057 /nfs/dbraw/zinc/38/40/57/409384057.db2.gz GBCOVLZODYGLOO-QWRGUYRKSA-N 0 3 292.339 -1.291 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N[C@H](CN)C(F)(F)F)c1=O ZINC000655508096 409384091 /nfs/dbraw/zinc/38/40/91/409384091.db2.gz BDEHFWHEHYFRKB-ZCFIWIBFSA-N 0 3 294.233 -1.447 20 0 CAADHN CN1C[C@H]2CCN(C(=O)Cn3ccc(=O)n(C)c3=O)[C@@H]2C1 ZINC000644813074 409384173 /nfs/dbraw/zinc/38/41/73/409384173.db2.gz GBCOVLZODYGLOO-GHMZBOCLSA-N 0 3 292.339 -1.291 20 0 CAADHN NCCNC(=O)C(=O)N1CCn2c(CC3CC3)nnc2C1 ZINC000652693796 409384228 /nfs/dbraw/zinc/38/42/28/409384228.db2.gz FAKYPAUNDSONTJ-UHFFFAOYSA-N 0 3 292.343 -1.352 20 0 CAADHN C[C@@H]1CCN[C@H](C(=O)NCC(=O)N2CCNCC2)C1 ZINC000647689904 409384351 /nfs/dbraw/zinc/38/43/51/409384351.db2.gz OUXKHWFTYLAXTB-MNOVXSKESA-N 0 3 268.361 -1.078 20 0 CAADHN CN(C)CCOCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651667830 409386648 /nfs/dbraw/zinc/38/66/48/409386648.db2.gz SXFNBTCNLCEEQE-SECBINFHSA-N 0 3 279.362 -1.628 20 0 CAADHN CN(CC(=O)N[C@@H](CN)C(F)(F)F)S(C)(=O)=O ZINC000655510007 409389001 /nfs/dbraw/zinc/38/90/01/409389001.db2.gz RVGILAAGNWQSEM-YFKPBYRVSA-N 0 3 277.268 -1.116 20 0 CAADHN COCCS(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651793041 409389161 /nfs/dbraw/zinc/38/91/61/409389161.db2.gz UZUWDEBWAREQBA-UHFFFAOYSA-N 0 3 293.389 -1.332 20 0 CAADHN CCN(C)S(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651792744 409389371 /nfs/dbraw/zinc/38/93/71/409389371.db2.gz FQSRAIOXWNMOAY-UHFFFAOYSA-N 0 3 292.405 -1.111 20 0 CAADHN CN(C)CCN1CCN(S(=O)(=O)C2COC2)CC1=O ZINC000651793208 409389500 /nfs/dbraw/zinc/38/95/00/409389500.db2.gz AAKMTXFZYIURGU-UHFFFAOYSA-N 0 3 291.373 -1.579 20 0 CAADHN CCCNS(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651794012 409389681 /nfs/dbraw/zinc/38/96/81/409389681.db2.gz YGLIGWWWPCZMEB-UHFFFAOYSA-N 0 3 292.405 -1.063 20 0 CAADHN CCNS(=O)(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000651793052 409389688 /nfs/dbraw/zinc/38/96/88/409389688.db2.gz WDSOOPKZUHLJQJ-UHFFFAOYSA-N 0 3 278.378 -1.454 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)N[C@@H](CN)C(F)(F)F)C1=O ZINC000655513039 409391116 /nfs/dbraw/zinc/39/11/16/409391116.db2.gz OKDCNHIYEYBNAO-BYPYZUCNSA-N 0 3 296.205 -1.587 20 0 CAADHN CN(C)CC(=O)NCCN1CCN(C(=O)CN(C)C)CC1 ZINC000647715298 409392094 /nfs/dbraw/zinc/39/20/94/409392094.db2.gz WEGTYXWJYNKILN-UHFFFAOYSA-N 0 3 299.419 -1.630 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000647710530 409392337 /nfs/dbraw/zinc/39/23/37/409392337.db2.gz DPRDAMGKTQDHHR-MRVPVSSYSA-N 0 3 286.332 -1.645 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1C(=O)NC(=O)C1(C)C ZINC000647710531 409392492 /nfs/dbraw/zinc/39/24/92/409392492.db2.gz DPRDAMGKTQDHHR-QMMMGPOBSA-N 0 3 286.332 -1.645 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H](CN)C(F)(F)F)c1=O ZINC000655514127 409394597 /nfs/dbraw/zinc/39/45/97/409394597.db2.gz ADRPAQRNVJOZTI-YFKPBYRVSA-N 0 3 267.211 -1.412 20 0 CAADHN CN1CCN(C(=O)N[C@H]2C[C@@H](C(N)=O)C2)[C@@H](CN)C1 ZINC000652230319 409394722 /nfs/dbraw/zinc/39/47/22/409394722.db2.gz CUKBQRAIWQGRAL-AEJSXWLSSA-N 0 3 269.349 -1.465 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N[C@H](CN)C(F)(F)F ZINC000655514536 409394841 /nfs/dbraw/zinc/39/48/41/409394841.db2.gz FSSVEDCKMOBOTM-RXMQYKEDSA-N 0 3 277.268 -1.116 20 0 CAADHN NC[C@@H](NC(=O)[C@H]1CCS(=O)(=O)N1)C(F)(F)F ZINC000655519245 409394941 /nfs/dbraw/zinc/39/49/41/409394941.db2.gz QTCAHYWYMUHMQS-RFZPGFLSSA-N 0 3 275.252 -1.316 20 0 CAADHN NC[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)N1)C(F)(F)F ZINC000655519244 409395190 /nfs/dbraw/zinc/39/51/90/409395190.db2.gz QTCAHYWYMUHMQS-CRCLSJGQSA-N 0 3 275.252 -1.316 20 0 CAADHN COCCN(C)CCNC(=O)c1nc(N)nc(N(C)C)n1 ZINC000561226165 409396466 /nfs/dbraw/zinc/39/64/66/409396466.db2.gz ZHKUQJGWHUULDI-UHFFFAOYSA-N 0 3 297.363 -1.172 20 0 CAADHN CN1CCN(S(=O)(=O)N2CCCOCC2)[C@H](CN)C1 ZINC000652366759 409396590 /nfs/dbraw/zinc/39/65/90/409396590.db2.gz NQSIQKDTVMZNCL-LLVKDONJSA-N 0 3 292.405 -1.472 20 0 CAADHN CN(CCN1CCCCC1)C(=O)C(=O)N1CCNC(=O)C1 ZINC000652389606 409396919 /nfs/dbraw/zinc/39/69/19/409396919.db2.gz QFSFAIVCHCZFTF-UHFFFAOYSA-N 0 3 296.371 -1.111 20 0 CAADHN CN(C)CCN1CCN(C(=O)C(=O)N(C)C2CC2)CC1=O ZINC000652404281 409397156 /nfs/dbraw/zinc/39/71/56/409397156.db2.gz CFTFHLNXASJFHF-UHFFFAOYSA-N 0 3 296.371 -1.160 20 0 CAADHN CCN1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC000652446977 409398727 /nfs/dbraw/zinc/39/87/27/409398727.db2.gz JDJKPUSEHWQCLI-IUCAKERBSA-N 0 3 261.347 -1.112 20 0 CAADHN O=C(CN1CCNCC1=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058181 409330840 /nfs/dbraw/zinc/33/08/40/409330840.db2.gz RVFVUFKRUOWWSN-IUCAKERBSA-N 0 3 258.297 -1.766 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058588 409331197 /nfs/dbraw/zinc/33/11/97/409331197.db2.gz SJOXIDOMZDIHHI-YUMQZZPRSA-N 0 3 267.326 -1.306 20 0 CAADHN NC(=O)CC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000647081637 409331251 /nfs/dbraw/zinc/33/12/51/409331251.db2.gz LUQCKIPZGWIXNI-UHFFFAOYSA-N 0 3 284.360 -1.030 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647058702 409331377 /nfs/dbraw/zinc/33/13/77/409331377.db2.gz ZXWMRKLOISUAOT-YUMQZZPRSA-N 0 3 267.326 -1.258 20 0 CAADHN CCNC(=O)CC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655297324 409331806 /nfs/dbraw/zinc/33/18/06/409331806.db2.gz WREBROBYDHQASD-VHSXEESVSA-N 0 3 255.318 -1.210 20 0 CAADHN CNC(=O)NCCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655294008 409331831 /nfs/dbraw/zinc/33/18/31/409331831.db2.gz HDCMCDALNINELU-VHSXEESVSA-N 0 3 270.333 -1.417 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNCC1CC1 ZINC000662637290 409331874 /nfs/dbraw/zinc/33/18/74/409331874.db2.gz DBJUKHMBFSXZJZ-UWVGGRQHSA-N 0 3 276.358 -1.086 20 0 CAADHN O=C([C@@H]1CCCC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655295520 409332473 /nfs/dbraw/zinc/33/24/73/409332473.db2.gz DARDXMZMUMOKBK-AXFHLTTASA-N 0 3 267.329 -1.068 20 0 CAADHN C[C@H](CNC(=O)C1(O)CNC1)CN1CCOCC1 ZINC000662700448 409332894 /nfs/dbraw/zinc/33/28/94/409332894.db2.gz IHIHOCVNZDWIBS-SNVBAGLBSA-N 0 3 257.334 -1.595 20 0 CAADHN C[C@@H]1NCCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H]1C ZINC000653135913 409333215 /nfs/dbraw/zinc/33/32/15/409333215.db2.gz UUNLIJRDTQOZIQ-XHNCKOQMSA-N 0 3 261.347 -1.113 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CNCCO1 ZINC000662660917 409333457 /nfs/dbraw/zinc/33/34/57/409333457.db2.gz ZUEXMKHMOHRITI-LLVKDONJSA-N 0 3 286.376 -1.547 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 ZINC000655296752 409333766 /nfs/dbraw/zinc/33/37/66/409333766.db2.gz UFYKMVVGEIJJOH-YNEHKIRRSA-N 0 3 283.372 -1.016 20 0 CAADHN O=C(CN1CCOCC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655296633 409333802 /nfs/dbraw/zinc/33/38/02/409333802.db2.gz OSJHMOSYWFZFIL-NWDGAFQWSA-N 0 3 269.345 -1.404 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655295974 409333827 /nfs/dbraw/zinc/33/38/27/409333827.db2.gz JVQARIGWGKJAHI-XQQFMLRXSA-N 0 3 283.372 -1.016 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](C)CN1 ZINC000653128640 409333837 /nfs/dbraw/zinc/33/38/37/409333837.db2.gz PIXONBKYNQWPRY-HRDYMLBCSA-N 0 3 261.347 -1.113 20 0 CAADHN CN1CCC[C@H](N2CCN(C(=O)C3(O)CNC3)CC2)C1 ZINC000662757144 409334644 /nfs/dbraw/zinc/33/46/44/409334644.db2.gz KRKYRQFEASGQNX-LBPRGKRZSA-N 0 3 282.388 -1.441 20 0 CAADHN CN(CC(=O)N1CCN2C[C@H](O)C[C@H]2C1)S(C)(=O)=O ZINC000655299412 409334740 /nfs/dbraw/zinc/33/47/40/409334740.db2.gz LXJPKYKQSIWYRM-VHSXEESVSA-N 0 3 291.373 -1.845 20 0 CAADHN C[C@H](C(=O)N1CCN2C[C@H](O)C[C@H]2C1)N1C(=O)CCC1=O ZINC000655299455 409334928 /nfs/dbraw/zinc/33/49/28/409334928.db2.gz JKCCQUHDKMGWNL-OUAUKWLOSA-N 0 3 295.339 -1.199 20 0 CAADHN CN1C[C@@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)[C@@H]2C1 ZINC000644822690 409399168 /nfs/dbraw/zinc/39/91/68/409399168.db2.gz WHBPLDIMEOFMFD-DTWKUNHWSA-N 0 3 294.311 -1.431 20 0 CAADHN O=C([C@H]1COCCO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298991 409335934 /nfs/dbraw/zinc/33/59/34/409335934.db2.gz IQWRRXUXXVZNOT-HBNTYKKESA-N 0 3 256.302 -1.321 20 0 CAADHN O=C(CNC(=O)C1CC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655298719 409336333 /nfs/dbraw/zinc/33/63/33/409336333.db2.gz FEBWUKWCBNYRHH-WDEREUQCSA-N 0 3 267.329 -1.210 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1=O ZINC000650302844 409337255 /nfs/dbraw/zinc/33/72/55/409337255.db2.gz AZVFYGRICLMXSB-LLVKDONJSA-N 0 3 296.371 -1.303 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1=O ZINC000650302991 409337318 /nfs/dbraw/zinc/33/73/18/409337318.db2.gz HTNDCVORIFDLNZ-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN CN(C)CCN1CCN(C(=O)CCn2ccnn2)CC1=O ZINC000650302519 409337400 /nfs/dbraw/zinc/33/74/00/409337400.db2.gz OSXMCJJFSPQAQS-UHFFFAOYSA-N 0 3 294.359 -1.099 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1=O ZINC000650305959 409337472 /nfs/dbraw/zinc/33/74/72/409337472.db2.gz RPTGTSWIAVCDMI-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650302883 409337552 /nfs/dbraw/zinc/33/75/52/409337552.db2.gz CSTMHYJICVFEFV-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CCC(=O)NC2)CC1=O ZINC000650302992 409337761 /nfs/dbraw/zinc/33/77/61/409337761.db2.gz HTNDCVORIFDLNZ-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)N(C)CCN)C1 ZINC000662960056 409337852 /nfs/dbraw/zinc/33/78/52/409337852.db2.gz LIXGWLPEFXLHGB-SNVBAGLBSA-N 0 3 299.375 -1.382 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650300730 409337881 /nfs/dbraw/zinc/33/78/81/409337881.db2.gz OBMMKRCAKMHNLP-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000662960533 409337910 /nfs/dbraw/zinc/33/79/10/409337910.db2.gz RVTXTEALZVHJTQ-NSHDSACASA-N 0 3 284.360 -1.663 20 0 CAADHN C[C@]1(C(N)=O)CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662939545 409338083 /nfs/dbraw/zinc/33/80/83/409338083.db2.gz AGMQNLTVOTUYPQ-IMXVTNBVSA-N 0 3 294.355 -1.340 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2ncn(C)n2)CC1=O ZINC000650309374 409338110 /nfs/dbraw/zinc/33/81/10/409338110.db2.gz PUYGVDYTQBOSQZ-UHFFFAOYSA-N 0 3 280.332 -1.339 20 0 CAADHN CN(C)CCN1CCN(C(=O)Cn2cncn2)CC1=O ZINC000650300657 409338216 /nfs/dbraw/zinc/33/82/16/409338216.db2.gz LAYFVIDBQBFLDD-UHFFFAOYSA-N 0 3 280.332 -1.490 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1=O ZINC000650305960 409338255 /nfs/dbraw/zinc/33/82/55/409338255.db2.gz RPTGTSWIAVCDMI-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN NC(=O)COCCNC(=O)[C@H]1CNCCC1(F)F ZINC000648167423 409341532 /nfs/dbraw/zinc/34/15/32/409341532.db2.gz NFAZCVIQIXROCF-SSDOTTSWSA-N 0 3 265.260 -1.151 20 0 CAADHN CCN1CCCN(C(=O)[C@H]2C[C@H](O)CN2)CC1=O ZINC000648167064 409342311 /nfs/dbraw/zinc/34/23/11/409342311.db2.gz UAAYGJRIJQZFEW-VHSXEESVSA-N 0 3 255.318 -1.210 20 0 CAADHN CC(C)NC(=O)CN(C)C(=O)CN1CCNCC1 ZINC000037801358 409343114 /nfs/dbraw/zinc/34/31/14/409343114.db2.gz IJRJBFBGEQBMAU-UHFFFAOYSA-N 0 3 256.350 -1.125 20 0 CAADHN CN(CC(=O)N1CCCC1)C(=O)CN1CCNCC1 ZINC000037818260 409343444 /nfs/dbraw/zinc/34/34/44/409343444.db2.gz AKJHVILNDVEQTI-UHFFFAOYSA-N 0 3 268.361 -1.028 20 0 CAADHN CC[C@@H](N)C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000037800592 409343595 /nfs/dbraw/zinc/34/35/95/409343595.db2.gz IVSDSJAMNRFOKB-SNVBAGLBSA-N 0 3 256.350 -1.044 20 0 CAADHN CN(C)S(=O)(=O)N1CCN(C(=O)CNC2CC2)CC1 ZINC000037808975 409344514 /nfs/dbraw/zinc/34/45/14/409344514.db2.gz FEUUBMWDIZZAGH-UHFFFAOYSA-N 0 3 290.389 -1.311 20 0 CAADHN CC(C)NS(=O)(=O)NC[C@@H]1CNCCN1C ZINC000394400877 409344562 /nfs/dbraw/zinc/34/45/62/409344562.db2.gz LLTQOBPZZNREOA-VIFPVBQESA-N 0 3 250.368 -1.278 20 0 CAADHN NCC(=O)NCC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000037799611 409344698 /nfs/dbraw/zinc/34/46/98/409344698.db2.gz HERVXCCEVLUUEP-NSHDSACASA-N 0 3 284.360 -1.616 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)[C@@H]1CN(C)CCO1 ZINC000153465950 409345104 /nfs/dbraw/zinc/34/51/04/409345104.db2.gz IISQYPRLRPSEIU-CMPLNLGQSA-N 0 3 259.350 -1.254 20 0 CAADHN NC1(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000237888170 409345178 /nfs/dbraw/zinc/34/51/78/409345178.db2.gz SYBWGFYSDVYXLX-UHFFFAOYSA-N 0 3 296.371 -1.519 20 0 CAADHN CN1CC[NH2+]C[C@H]1C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000394393612 409345425 /nfs/dbraw/zinc/34/54/25/409345425.db2.gz AGWITFQGVLCHOJ-QMMMGPOBSA-N 0 3 259.335 -1.408 20 0 CAADHN COCCNCC(=O)N(C)CCN1CCCS1(=O)=O ZINC000648197709 409346628 /nfs/dbraw/zinc/34/66/28/409346628.db2.gz BLVWFSBUKHUVAM-UHFFFAOYSA-N 0 3 293.389 -1.284 20 0 CAADHN CC(=O)NCCN(C)C(=O)CN1CCCC[C@@H](N)C1=O ZINC000648201720 409346792 /nfs/dbraw/zinc/34/67/92/409346792.db2.gz GLAHWBRSBNCHKW-LLVKDONJSA-N 0 3 284.360 -1.079 20 0 CAADHN CCn1cc(CNS(=O)(=O)N2CCNCC2)nn1 ZINC000404455103 409348360 /nfs/dbraw/zinc/34/83/60/409348360.db2.gz LNYORANVZJDSSC-UHFFFAOYSA-N 0 3 274.350 -1.462 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)NC[C@@H]2C[C@H](F)CN2)C1=O ZINC000644142423 409349768 /nfs/dbraw/zinc/34/97/68/409349768.db2.gz SJKZSEYPMMEBCY-BQBZGAKWSA-N 0 3 286.263 -1.777 20 0 CAADHN Cn1cnn(CC(=O)N2CCNCC2(C)C)c1=O ZINC000644075080 409350190 /nfs/dbraw/zinc/35/01/90/409350190.db2.gz RPYLWBHLOGXKSG-UHFFFAOYSA-N 0 3 253.306 -1.208 20 0 CAADHN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000636256246 409350590 /nfs/dbraw/zinc/35/05/90/409350590.db2.gz RRESRRHEQZYRTL-ZRUFSTJUSA-N 0 3 283.328 -1.703 20 0 CAADHN NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000636256242 409350746 /nfs/dbraw/zinc/35/07/46/409350746.db2.gz RRESRRHEQZYRTL-VLEAKVRGSA-N 0 3 283.328 -1.703 20 0 CAADHN CC1(C)CN[C@H]1C(=O)NCC(=O)N1CCNCC1 ZINC000644098042 409350782 /nfs/dbraw/zinc/35/07/82/409350782.db2.gz ACABDXJPOOMMKB-JTQLQIEISA-N 0 3 254.334 -1.468 20 0 CAADHN CC1(C)CN[C@@H]1C(=O)NCC(=O)N1CCNCC1 ZINC000644098043 409350884 /nfs/dbraw/zinc/35/08/84/409350884.db2.gz ACABDXJPOOMMKB-SNVBAGLBSA-N 0 3 254.334 -1.468 20 0 CAADHN C[C@@H]1NC(=O)CC[C@@H]1NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664816718 409351558 /nfs/dbraw/zinc/35/15/58/409351558.db2.gz DSCZRFGMNQADGC-NAKRPEOUSA-N 0 3 284.360 -1.030 20 0 CAADHN CN(C)CCN1C(=O)C[C@H](N2C[C@@H](O)[C@@H](O)C2)C1=O ZINC000653281927 409351653 /nfs/dbraw/zinc/35/16/53/409351653.db2.gz FSZWADSGYVAGLO-LPEHRKFASA-N 0 3 271.317 -2.287 20 0 CAADHN CN(CCO)C(=O)C(=O)N1CCOC2(CCN(C)CC2)C1 ZINC000647554902 409352326 /nfs/dbraw/zinc/35/23/26/409352326.db2.gz RRFJQBIRTQDVNH-UHFFFAOYSA-N 0 3 299.371 -1.240 20 0 CAADHN CN(C)CCN1CCN([C@H]2CC(=O)NC2=O)CC1=O ZINC000653282226 409352356 /nfs/dbraw/zinc/35/23/56/409352356.db2.gz QWBPVUUCZMEAPO-VIFPVBQESA-N 0 3 268.317 -1.893 20 0 CAADHN O=C(NCC1CC1)C(=O)N1CCOC2(CNC2)C1 ZINC000664727832 409352522 /nfs/dbraw/zinc/35/25/22/409352522.db2.gz QZUGGGLAKTWXLZ-UHFFFAOYSA-N 0 3 253.302 -1.287 20 0 CAADHN CC(=O)NCCN(C)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000647510667 409352793 /nfs/dbraw/zinc/35/27/93/409352793.db2.gz VCOCQXLSXZHOOD-LLVKDONJSA-N 0 3 299.375 -2.318 20 0 CAADHN CN1CC[C@@H](C(=O)N2CCCNCC2)S1(=O)=O ZINC000647615141 409356215 /nfs/dbraw/zinc/35/62/15/409356215.db2.gz KXCSZPIPBTYIGF-VIFPVBQESA-N 0 3 261.347 -1.158 20 0 CAADHN C[C@@H]1CN(CCCNC(=O)[C@H](N)CC(N)=O)C[C@H](C)O1 ZINC000353045150 409458875 /nfs/dbraw/zinc/45/88/75/409458875.db2.gz RNEUQPDMWVFVRD-OUAUKWLOSA-N 0 3 286.376 -1.195 20 0 CAADHN COCCNCCNS(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000354128667 409459137 /nfs/dbraw/zinc/45/91/37/409459137.db2.gz WOWCZSDWWZLECF-SECBINFHSA-N 0 3 281.378 -1.382 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000353425326 409459620 /nfs/dbraw/zinc/45/96/20/409459620.db2.gz HCCYIKVEMTYEDG-OUAUKWLOSA-N 0 3 259.350 -1.126 20 0 CAADHN CNCCN(C)S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000354125230 409459694 /nfs/dbraw/zinc/45/96/94/409459694.db2.gz CJGLGSJSMIURRK-QMMMGPOBSA-N 0 3 251.352 -1.056 20 0 CAADHN CN(CCCN1CCN(C)CC1)C(=O)Cn1cnnn1 ZINC000110865633 409459976 /nfs/dbraw/zinc/45/99/76/409459976.db2.gz MVOOXTSVFAVLPS-UHFFFAOYSA-N 0 3 281.364 -1.231 20 0 CAADHN COC(=O)COCC(=O)NC[C@](C)(O)CN(C)C ZINC000355188383 409402965 /nfs/dbraw/zinc/40/29/65/409402965.db2.gz SUCMSAXFGHQUKB-NSHDSACASA-N 0 3 262.306 -1.395 20 0 CAADHN CN(C[C@H](O)CN1CC[C@H](S(N)(=O)=O)C1)C1CC1 ZINC000336791406 409402995 /nfs/dbraw/zinc/40/29/95/409402995.db2.gz NJMHEAWFVLVLBI-QWRGUYRKSA-N 0 3 277.390 -1.196 20 0 CAADHN CCCNC(=O)CNC(=O)CNC(=O)[C@H](N)C(C)C ZINC000336804596 409403525 /nfs/dbraw/zinc/40/35/25/409403525.db2.gz GIIDUODVTOHGSO-LLVKDONJSA-N 0 3 272.349 -1.272 20 0 CAADHN CC1(C)NC(=O)N(CCCN(CCO)CCO)C1=O ZINC000336801887 409404353 /nfs/dbraw/zinc/40/43/53/409404353.db2.gz RQKGCMVSLGEPEP-UHFFFAOYSA-N 0 3 273.333 -1.007 20 0 CAADHN CN[C@@H](C)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000659372981 409407801 /nfs/dbraw/zinc/40/78/01/409407801.db2.gz LJWRCNYJARRLJE-QCLAVDOMSA-N 0 3 276.358 -1.135 20 0 CAADHN COCCNCCNC(=O)[C@H]1CCN(C)S1(=O)=O ZINC000648106119 409460140 /nfs/dbraw/zinc/46/01/40/409460140.db2.gz BPIBKEGQSDXDCW-SECBINFHSA-N 0 3 279.362 -1.628 20 0 CAADHN C[C@H](CO)C1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000652697693 409408186 /nfs/dbraw/zinc/40/81/86/409408186.db2.gz KZUPIFCNENJTTF-SECBINFHSA-N 0 3 269.345 -1.059 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)[C@H]1NCC1(C)C ZINC000645134193 409408467 /nfs/dbraw/zinc/40/84/67/409408467.db2.gz ADTPOEBPYNCFIH-LLVKDONJSA-N 0 3 268.361 -1.125 20 0 CAADHN C[C@H](O)CCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000644927567 409408867 /nfs/dbraw/zinc/40/88/67/409408867.db2.gz JQTJRCDXTLANML-SRVKXCTJSA-N 0 3 292.401 -1.155 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@H](C)CN)C[C@H]21 ZINC000659372188 409409191 /nfs/dbraw/zinc/40/91/91/409409191.db2.gz BMVWHRRBFUXXMF-RGOKHQFPSA-N 0 3 276.358 -1.148 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@H](C)CN)C[C@H]21 ZINC000659372185 409409275 /nfs/dbraw/zinc/40/92/75/409409275.db2.gz BMVWHRRBFUXXMF-QEYWKRMJSA-N 0 3 276.358 -1.148 20 0 CAADHN Cn1nccc1[C@@H]1COCCN1C(=O)C(=O)NC1CNC1 ZINC000652698217 409410143 /nfs/dbraw/zinc/41/01/43/409410143.db2.gz YVXIIWIHIJAIPF-NSHDSACASA-N 0 3 293.327 -1.592 20 0 CAADHN C[C@H]1CN(C(=O)C2(N)CC2)CCN1S(C)(=O)=O ZINC000353334011 409410179 /nfs/dbraw/zinc/41/01/79/409410179.db2.gz DYGAKTJLQDDFQY-QMMMGPOBSA-N 0 3 261.347 -1.030 20 0 CAADHN CN1CCN(C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)[C@@H](CN)C1 ZINC000652709426 409410856 /nfs/dbraw/zinc/41/08/56/409410856.db2.gz RIHBQOBPMRHDID-QCNOEVLYSA-N 0 3 296.371 -1.476 20 0 CAADHN CCN1CCN(CC(=O)N2CCNCC2(C)C)C(=O)C1=O ZINC000647840584 409410913 /nfs/dbraw/zinc/41/09/13/409410913.db2.gz INBFYKQGACTLFN-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)CC(=O)NC[C@@H](O)CN(C)C(=O)CN(C)C ZINC000647810780 409412444 /nfs/dbraw/zinc/41/24/44/409412444.db2.gz VMEDAQXAAKJHJD-SNVBAGLBSA-N 0 3 274.365 -1.955 20 0 CAADHN CN(C)CC(=O)NC[C@H](O)CN(C)C(=O)CN(C)C ZINC000647810779 409412758 /nfs/dbraw/zinc/41/27/58/409412758.db2.gz VMEDAQXAAKJHJD-JTQLQIEISA-N 0 3 274.365 -1.955 20 0 CAADHN CCN1C[C@@H](CNC(=O)C(=O)N2CCCNCC2)CC1=O ZINC000652716221 409412997 /nfs/dbraw/zinc/41/29/97/409412997.db2.gz UYEICXBMDIVJSH-LLVKDONJSA-N 0 3 296.371 -1.207 20 0 CAADHN CN1CC[C@@H](C(=O)N2CCN(C)C[C@H]2CN)S1(=O)=O ZINC000647874163 409413910 /nfs/dbraw/zinc/41/39/10/409413910.db2.gz ATGPDKPTSLZWNE-ZJUUUORDSA-N 0 3 290.389 -1.878 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCCNc1ccncc1 ZINC000354409761 409462103 /nfs/dbraw/zinc/46/21/03/409462103.db2.gz NXQGMGTUQMJPIG-SECBINFHSA-N 0 3 286.357 -1.031 20 0 CAADHN CN(CC(=O)N1CCN(C)C[C@@H]1CN)C(=O)C1CC1 ZINC000647872613 409414803 /nfs/dbraw/zinc/41/48/03/409414803.db2.gz HMPBQEUAHBSHNW-NSHDSACASA-N 0 3 268.361 -1.044 20 0 CAADHN COCCN(C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC000263735407 409415436 /nfs/dbraw/zinc/41/54/36/409415436.db2.gz HLYZECHGVGVHMG-UHFFFAOYSA-N 0 3 286.332 -1.425 20 0 CAADHN CN1CC[C@H](C(=O)N2CCN(C)C[C@H]2CN)S1(=O)=O ZINC000647874160 409415475 /nfs/dbraw/zinc/41/54/75/409415475.db2.gz ATGPDKPTSLZWNE-NXEZZACHSA-N 0 3 290.389 -1.878 20 0 CAADHN CN(C)CCN1CCN(C(=O)CCn2cncn2)CC1=O ZINC000652736642 409417847 /nfs/dbraw/zinc/41/78/47/409417847.db2.gz LBCQBLPADCXLNG-UHFFFAOYSA-N 0 3 294.359 -1.099 20 0 CAADHN CNC(=O)CC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652734505 409418079 /nfs/dbraw/zinc/41/80/79/409418079.db2.gz MUNLOKIGKNLFRR-UHFFFAOYSA-N 0 3 270.333 -1.645 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CCOC[C@@H]1c1ccnn1C ZINC000652737380 409418132 /nfs/dbraw/zinc/41/81/32/409418132.db2.gz IOIRVCFXBDUGCN-LLVKDONJSA-N 0 3 295.343 -1.263 20 0 CAADHN CN(C)CCN1CCN(C(=O)CCNC(N)=O)CC1=O ZINC000652736374 409418206 /nfs/dbraw/zinc/41/82/06/409418206.db2.gz FJMAHKIMQKOYLW-UHFFFAOYSA-N 0 3 285.348 -1.723 20 0 CAADHN COCCNCCNC(=O)NC[C@@H]1CCC(=O)N1 ZINC000659526964 409418299 /nfs/dbraw/zinc/41/82/99/409418299.db2.gz HDAZAIILSHHUEX-VIFPVBQESA-N 0 3 258.322 -1.200 20 0 CAADHN CNC(=O)NCC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652734815 409418324 /nfs/dbraw/zinc/41/83/24/409418324.db2.gz XAEBVIXWNYXARH-UHFFFAOYSA-N 0 3 285.348 -1.852 20 0 CAADHN CN(C)CCN1CCN(C(=O)C2(C(N)=O)CCC2)CC1=O ZINC000652735508 409418362 /nfs/dbraw/zinc/41/83/62/409418362.db2.gz MKHVHEIVRYHNOA-UHFFFAOYSA-N 0 3 296.371 -1.126 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CCN(C)C2=O)CC1=O ZINC000652734442 409418402 /nfs/dbraw/zinc/41/84/02/409418402.db2.gz KMQUUJDSHMRHHV-NSHDSACASA-N 0 3 296.371 -1.303 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1=O ZINC000652735171 409418461 /nfs/dbraw/zinc/41/84/61/409418461.db2.gz DOWZVXOACJBSQP-JTQLQIEISA-N 0 3 282.344 -1.503 20 0 CAADHN CN(C)CCN1CCN(C(=O)C2(NC(N)=O)CC2)CC1=O ZINC000652734395 409418663 /nfs/dbraw/zinc/41/86/63/409418663.db2.gz JFRXIZHCKHOPFX-UHFFFAOYSA-N 0 3 297.359 -1.580 20 0 CAADHN CN(C)CCN1CCN(C(=O)C(C)(C)O)CC1=O ZINC000652734406 409418884 /nfs/dbraw/zinc/41/88/84/409418884.db2.gz JRCXSWCOJXWERK-UHFFFAOYSA-N 0 3 257.334 -1.010 20 0 CAADHN C[C@]12CN(C(=O)CCOC3CNC3)C[C@]1(C)C(=O)NC2=O ZINC000638849112 409419906 /nfs/dbraw/zinc/41/99/06/409419906.db2.gz PWBUYKJZKSRZMW-ZIAGYGMSSA-N 0 3 295.339 -1.124 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C1 ZINC000331224713 409422793 /nfs/dbraw/zinc/42/27/93/409422793.db2.gz MKBPHDQZQJUSKR-WDEREUQCSA-N 0 3 287.360 -1.085 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000331224713 409422796 /nfs/dbraw/zinc/42/27/96/409422796.db2.gz MKBPHDQZQJUSKR-WDEREUQCSA-N 0 3 287.360 -1.085 20 0 CAADHN CCNC(=O)CN(C)CCC(=O)N1CCNCC1 ZINC000053298849 409424555 /nfs/dbraw/zinc/42/45/55/409424555.db2.gz KNGIJBARLHAYSG-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN CCN1CCN(CCNC(=O)Cn2cnnn2)CC1 ZINC000345763695 409428828 /nfs/dbraw/zinc/42/88/28/409428828.db2.gz SNDSDTBURKGBAY-UHFFFAOYSA-N 0 3 267.337 -1.573 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(=O)N(C)C ZINC000345761608 409428929 /nfs/dbraw/zinc/42/89/29/409428929.db2.gz GGWNMGQKUSAHFM-WDEREUQCSA-N 0 3 298.387 -1.011 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(=O)N(C)C ZINC000345761606 409429230 /nfs/dbraw/zinc/42/92/30/409429230.db2.gz GGWNMGQKUSAHFM-MNOVXSKESA-N 0 3 298.387 -1.011 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC(=O)N(C)C2)CC1=O ZINC000345763351 409430100 /nfs/dbraw/zinc/43/01/00/409430100.db2.gz IZQGRODQDCCRDH-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)NCCC(=O)NCCOCCN(C)C ZINC000345689351 409430774 /nfs/dbraw/zinc/43/07/74/409430774.db2.gz RLUXFNRJHVUEDS-UHFFFAOYSA-N 0 3 260.338 -1.000 20 0 CAADHN COCCN(C)CCCNC(=O)CN(C)S(C)(=O)=O ZINC000345834599 409430796 /nfs/dbraw/zinc/43/07/96/409430796.db2.gz ZXCPHTUWUYDOCH-UHFFFAOYSA-N 0 3 295.405 -1.038 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCOCCN(C)C ZINC000345944029 409432729 /nfs/dbraw/zinc/43/27/29/409432729.db2.gz ATAYILDPYIUGTN-UHFFFAOYSA-N 0 3 275.349 -1.214 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NCCOCCN(C)C ZINC000346010044 409432781 /nfs/dbraw/zinc/43/27/81/409432781.db2.gz PHVZOHNBEDWZBS-UHFFFAOYSA-N 0 3 295.405 -1.038 20 0 CAADHN CN(C)CCOCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000346000380 409433336 /nfs/dbraw/zinc/43/33/36/409433336.db2.gz IWQOQUICHMPHQD-UHFFFAOYSA-N 0 3 284.316 -1.206 20 0 CAADHN CCS(=O)(=O)NCC(=O)NCCOCCN(C)C ZINC000346011286 409434046 /nfs/dbraw/zinc/43/40/46/409434046.db2.gz PXQWARWKSYIVDN-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000346314430 409434381 /nfs/dbraw/zinc/43/43/81/409434381.db2.gz HLJLTMQCOTVTDS-NSHDSACASA-N 0 3 290.389 -1.406 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000346314405 409434494 /nfs/dbraw/zinc/43/44/94/409434494.db2.gz HLJLTMQCOTVTDS-LLVKDONJSA-N 0 3 290.389 -1.406 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1COCCN1C ZINC000346378307 409435356 /nfs/dbraw/zinc/43/53/56/409435356.db2.gz DBGZSFOXPLFKHQ-NSHDSACASA-N 0 3 259.350 -1.253 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC(CO)C2)CC1=O ZINC000346805447 409436285 /nfs/dbraw/zinc/43/62/85/409436285.db2.gz PDKJSPOJNDTZKK-NSHDSACASA-N 0 3 269.345 -1.153 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)[C@@H]2COCCN2C)C1 ZINC000346430547 409436727 /nfs/dbraw/zinc/43/67/27/409436727.db2.gz DHDBGBNFKVJITN-CMPLNLGQSA-N 0 3 257.334 -1.500 20 0 CAADHN CNC(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000346811904 409437070 /nfs/dbraw/zinc/43/70/70/409437070.db2.gz SQZZLXGGRKBBFN-VHSXEESVSA-N 0 3 284.360 -1.353 20 0 CAADHN COCC[N@H+](C)CCCNC(=O)CN1CC(=O)[N-]C1=O ZINC000348752753 409438486 /nfs/dbraw/zinc/43/84/86/409438486.db2.gz HJSJBWTXFMLEIN-UHFFFAOYSA-N 0 3 286.332 -1.377 20 0 CAADHN COCC[N@@H+](C)CCCNC(=O)CN1CC(=O)[N-]C1=O ZINC000348752753 409438494 /nfs/dbraw/zinc/43/84/94/409438494.db2.gz HJSJBWTXFMLEIN-UHFFFAOYSA-N 0 3 286.332 -1.377 20 0 CAADHN COCCN(CCN(C)C)C(=O)CN(C)S(C)(=O)=O ZINC000355227948 409462284 /nfs/dbraw/zinc/46/22/84/409462284.db2.gz VEWWQHDTQAAOSH-UHFFFAOYSA-N 0 3 295.405 -1.086 20 0 CAADHN COCCN(CCN(C)C)C(=O)Cn1cnnn1 ZINC000355219359 409462308 /nfs/dbraw/zinc/46/23/08/409462308.db2.gz IRWJXMHWDJAVJL-UHFFFAOYSA-N 0 3 256.310 -1.290 20 0 CAADHN CN1CCN(CCNC(=O)CCOC2CNC2)CC1 ZINC000349000310 409442102 /nfs/dbraw/zinc/44/21/02/409442102.db2.gz MPNUQBLSINCFOD-UHFFFAOYSA-N 0 3 270.377 -1.272 20 0 CAADHN CC(=O)N1CCN(CCNC(=O)CCOC2CNC2)CC1 ZINC000348998834 409442715 /nfs/dbraw/zinc/44/27/15/409442715.db2.gz KYTWLIQLPAFITN-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)CCOC2CNC2)CC1 ZINC000348992046 409443014 /nfs/dbraw/zinc/44/30/14/409443014.db2.gz HFCNQFNNEUOLSY-UHFFFAOYSA-N 0 3 298.387 -1.355 20 0 CAADHN CC(=O)NC[C@@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000349059919 409443046 /nfs/dbraw/zinc/44/30/46/409443046.db2.gz VDQLKKJPGBVTMW-GFCCVEGCSA-N 0 3 285.344 -1.272 20 0 CAADHN C[C@@H](O)CN1CCN(CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000191232380 409443225 /nfs/dbraw/zinc/44/32/25/409443225.db2.gz MUHQHNVMWLZASP-WDEREUQCSA-N 0 3 279.406 -1.078 20 0 CAADHN COCCNCCNC(=O)C(=O)c1cnn(C)c1 ZINC000349244469 409443360 /nfs/dbraw/zinc/44/33/60/409443360.db2.gz DFPISYQEWJEQAV-UHFFFAOYSA-N 0 3 254.290 -1.045 20 0 CAADHN CN1CCN(C)[C@H](CNC(=O)CCOC2CNC2)C1 ZINC000348986156 409443455 /nfs/dbraw/zinc/44/34/55/409443455.db2.gz BJNMHBUGHJYZRX-LLVKDONJSA-N 0 3 270.377 -1.273 20 0 CAADHN O=C(CCOC1CNC1)NCCC(=O)N1CCOCC1 ZINC000349031335 409443520 /nfs/dbraw/zinc/44/35/20/409443520.db2.gz VGEIIWJOLBSBRO-UHFFFAOYSA-N 0 3 285.344 -1.270 20 0 CAADHN CCS(=O)(=O)NCCNC(=O)CCOC1CNC1 ZINC000349055242 409443633 /nfs/dbraw/zinc/44/36/33/409443633.db2.gz INNFSJHRQASHRF-UHFFFAOYSA-N 0 3 279.362 -1.580 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@H]2NCC2(C)C)CC1 ZINC000645476747 409444493 /nfs/dbraw/zinc/44/44/93/409444493.db2.gz OZXDJEMBCFTCCP-LLVKDONJSA-N 0 3 268.361 -1.125 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NCCNc1ccncc1 ZINC000354409770 409462477 /nfs/dbraw/zinc/46/24/77/409462477.db2.gz NXQGMGTUQMJPIG-VIFPVBQESA-N 0 3 286.357 -1.031 20 0 CAADHN CCNS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000519707314 409446227 /nfs/dbraw/zinc/44/62/27/409446227.db2.gz LYVPSENHPVVWDL-SFYZADRCSA-N 0 3 262.335 -1.916 20 0 CAADHN CC1(OCC(=O)N2CCO[C@@H](C(N)=O)C2)CNC1 ZINC000648048484 409446436 /nfs/dbraw/zinc/44/64/36/409446436.db2.gz ITCQCDLQYMWBTM-MRVPVSSYSA-N 0 3 257.290 -1.922 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC(=O)N(C)C2)CC1=O ZINC000329491619 409447660 /nfs/dbraw/zinc/44/76/60/409447660.db2.gz VPKNKSYFGFWTNP-SNVBAGLBSA-N 0 3 282.344 -1.345 20 0 CAADHN C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000519764018 409447731 /nfs/dbraw/zinc/44/77/31/409447731.db2.gz IDYRFTWCMPCUJQ-QWRGUYRKSA-N 0 3 268.361 -1.044 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)[C@@H]2CNCCC2(F)F)CCO1 ZINC000648048416 409448188 /nfs/dbraw/zinc/44/81/88/409448188.db2.gz BPQVIPDUVPHCGH-JGVFFNPUSA-N 0 3 277.271 -1.056 20 0 CAADHN CCS(=O)(=O)NCCCNC(=O)COC1(C)CNC1 ZINC000648048265 409448215 /nfs/dbraw/zinc/44/82/15/409448215.db2.gz UQDZSOWJNGVIJL-UHFFFAOYSA-N 0 3 293.389 -1.190 20 0 CAADHN COCCN1CC[C@H](NC[C@@H](O)CN2CCOCC2)C1 ZINC000520397939 409448462 /nfs/dbraw/zinc/44/84/62/409448462.db2.gz OBORUICKLWRIDC-UONOGXRCSA-N 0 3 287.404 -1.010 20 0 CAADHN COC(=O)[C@H]1CNC(=O)CN1C(=O)C(C)S(C)(=O)=O ZINC000330990544 409449151 /nfs/dbraw/zinc/44/91/51/409449151.db2.gz SELZKLIFSJUMQL-NKWVEPMBSA-N 0 3 292.313 -2.081 20 0 CAADHN CN(C[C@H](O)CN1CCN(C(=O)CO)CC1)C1CC1 ZINC000351720285 409449528 /nfs/dbraw/zinc/44/95/28/409449528.db2.gz SWRFNHFNJIQXLA-LBPRGKRZSA-N 0 3 271.361 -1.422 20 0 CAADHN CC[C@](C)(NCCC(=O)NCC(=O)OC)C(N)=O ZINC000351223172 409449537 /nfs/dbraw/zinc/44/95/37/409449537.db2.gz HKWBHEGTZPJQFC-NSHDSACASA-N 0 3 259.306 -1.091 20 0 CAADHN CN(C)CCN1CCN(C(=O)CN2CCOCC2=O)CC1 ZINC000329821569 409452785 /nfs/dbraw/zinc/45/27/85/409452785.db2.gz AOOBRHPFGCDCJL-UHFFFAOYSA-N 0 3 298.387 -1.449 20 0 CAADHN CN(C)CCN1CCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000351869949 409453453 /nfs/dbraw/zinc/45/34/53/409453453.db2.gz ZSLLIBWCAHZUSR-UHFFFAOYSA-N 0 3 296.375 -1.712 20 0 CAADHN O=C(NCC12CC(C1)C[NH2+]2)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000659616613 409454124 /nfs/dbraw/zinc/45/41/24/409454124.db2.gz VMSDDYWOIQECMV-XQVHRTOBSA-N 0 3 293.327 -1.316 20 0 CAADHN C[NH2+]C[C@@H](C)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000659641624 409455434 /nfs/dbraw/zinc/45/54/34/409455434.db2.gz SVQHQAPKVSBXTQ-HTQZYQBOSA-N 0 3 269.305 -1.460 20 0 CAADHN COCCN(C)CCNC(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000352969463 409455481 /nfs/dbraw/zinc/45/54/81/409455481.db2.gz JYOXBBYICOKRAU-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CC[C@H](NC(=O)[C@@H](CN)OC)C(=O)N1CCOCC1 ZINC000353005971 409455904 /nfs/dbraw/zinc/45/59/04/409455904.db2.gz WQCSXWBHMYQDDM-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000352969464 409456243 /nfs/dbraw/zinc/45/62/43/409456243.db2.gz JYOXBBYICOKRAU-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN NC(C(=O)NCCN1C(=O)CNC1=O)C(F)(F)F ZINC000352969287 409456722 /nfs/dbraw/zinc/45/67/22/409456722.db2.gz YIMWHKGZOSNBBR-YFKPBYRVSA-N 0 3 268.195 -1.456 20 0 CAADHN CO[C@@H](CN)C(=O)NCCS(=O)(=O)NCC1CCC1 ZINC000352925523 409456748 /nfs/dbraw/zinc/45/67/48/409456748.db2.gz YKSVUNKHUUPJBF-JTQLQIEISA-N 0 3 293.389 -1.204 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000352969466 409457338 /nfs/dbraw/zinc/45/73/38/409457338.db2.gz JYOXBBYICOKRAU-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN C[NH2+]C[C@@H](C)NC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000659641626 409457379 /nfs/dbraw/zinc/45/73/79/409457379.db2.gz SVQHQAPKVSBXTQ-SFYZADRCSA-N 0 3 269.305 -1.460 20 0 CAADHN C[C@@H]1[C@H](C)N(C(=O)COCCN)CCS1(=O)=O ZINC000648087995 409457394 /nfs/dbraw/zinc/45/73/94/409457394.db2.gz HATBQNHWSMIFDN-DTWKUNHWSA-N 0 3 264.347 -1.004 20 0 CAADHN CO[C@@H](CN)C(=O)N[C@@H](C(=O)N1CCOCC1)C(C)C ZINC000352923292 409457463 /nfs/dbraw/zinc/45/74/63/409457463.db2.gz SKNICXOCRLPZLT-WDEREUQCSA-N 0 3 287.360 -1.040 20 0 CAADHN COCCNC(=O)CNC(=O)C(N)C(F)(F)F ZINC000352913267 409457718 /nfs/dbraw/zinc/45/77/18/409457718.db2.gz LFVJSKWBUKVRGY-LURJTMIESA-N 0 3 257.212 -1.245 20 0 CAADHN CN(C)CCOCCNC(=O)[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000355764597 409466425 /nfs/dbraw/zinc/46/64/25/409466425.db2.gz HQXWMYLUZWZHBV-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCCN(CCCO)CC1 ZINC001195639361 782011781 /nfs/dbraw/zinc/01/17/81/782011781.db2.gz HHQZJKDGHHMUCW-JTQLQIEISA-N 0 3 272.349 -1.040 20 0 CAADHN C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000362890539 409467984 /nfs/dbraw/zinc/46/79/84/409467984.db2.gz GNNAUGWHUKZSNR-UTLUCORTSA-N 0 3 280.328 -1.053 20 0 CAADHN C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000362890539 409467989 /nfs/dbraw/zinc/46/79/89/409467989.db2.gz GNNAUGWHUKZSNR-UTLUCORTSA-N 0 3 280.328 -1.053 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2CNC(=O)C2)CC1=O ZINC000354150776 409462774 /nfs/dbraw/zinc/46/27/74/409462774.db2.gz USZGQPYAKZJZPZ-NXEZZACHSA-N 0 3 282.344 -1.599 20 0 CAADHN CCN1CC[C@@H]2OCCN(C(=O)CNC(N)=O)[C@H]2C1 ZINC000355297772 409465161 /nfs/dbraw/zinc/46/51/61/409465161.db2.gz HLUZNRRCZQFJPI-UWVGGRQHSA-N 0 3 270.333 -1.024 20 0 CAADHN CC1(OCC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CNC1 ZINC000400241729 409474679 /nfs/dbraw/zinc/47/46/79/409474679.db2.gz KEWQSBNBDGNATC-VIFPVBQESA-N 0 3 291.373 -1.485 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@H](O)C[C@H](O)C1 ZINC000653562989 409474354 /nfs/dbraw/zinc/47/43/54/409474354.db2.gz SVACZNCSVOWWHU-TUAOUCFPSA-N 0 3 262.350 -1.647 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)[C@H](CN)C1 ZINC000653054965 409472070 /nfs/dbraw/zinc/47/20/70/409472070.db2.gz DIZJUEZZVFLDIZ-BDAKNGLRSA-N 0 3 276.362 -2.221 20 0 CAADHN CC(C)(C)N1C[C@@H](CNC(=O)C(=O)NC2CNC2)CC1=O ZINC000659715498 409472243 /nfs/dbraw/zinc/47/22/43/409472243.db2.gz VUFZQAUJBBPAFN-SECBINFHSA-N 0 3 296.371 -1.162 20 0 CAADHN CN1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)[C@H](CN)C1 ZINC000653054968 409472780 /nfs/dbraw/zinc/47/27/80/409472780.db2.gz DIZJUEZZVFLDIZ-RKDXNWHRSA-N 0 3 276.362 -2.221 20 0 CAADHN CC1(C)CNCCN1C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000653053835 409472924 /nfs/dbraw/zinc/47/29/24/409472924.db2.gz MZQWPAJIVSHLFM-MRVPVSSYSA-N 0 3 261.347 -1.112 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CC[C@H](NC(N)=O)C1 ZINC000653594203 409474161 /nfs/dbraw/zinc/47/41/61/409474161.db2.gz CULVNCQYEWGJJC-WDEREUQCSA-N 0 3 274.365 -1.332 20 0 CAADHN C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000362890537 409468889 /nfs/dbraw/zinc/46/88/89/409468889.db2.gz GNNAUGWHUKZSNR-KXUCPTDWSA-N 0 3 280.328 -1.053 20 0 CAADHN C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1 ZINC000362890537 409468892 /nfs/dbraw/zinc/46/88/92/409468892.db2.gz GNNAUGWHUKZSNR-KXUCPTDWSA-N 0 3 280.328 -1.053 20 0 CAADHN COCCNCCNC(=O)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000659725272 409474524 /nfs/dbraw/zinc/47/45/24/409474524.db2.gz ZCMLOSIIZKCGQM-VXGBXAGGSA-N 0 3 299.371 -1.167 20 0 CAADHN CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)NCCN ZINC000419824661 409476338 /nfs/dbraw/zinc/47/63/38/409476338.db2.gz ZUHIMQDTFIBQBG-SNVBAGLBSA-N 0 3 256.350 -1.140 20 0 CAADHN CN(C(=O)[C@@H](N)CC(N)=O)[C@@H]1CCN(C2CC2)C1 ZINC000438882087 409481362 /nfs/dbraw/zinc/48/13/62/409481362.db2.gz HZPBLUJRACKWIS-ZJUUUORDSA-N 0 3 254.334 -1.116 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)C(=O)NCCN)CCN1C ZINC000419841917 409477161 /nfs/dbraw/zinc/47/71/61/409477161.db2.gz VBMQWYDZOFERQR-JTQLQIEISA-N 0 3 256.350 -1.140 20 0 CAADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000419980703 409477676 /nfs/dbraw/zinc/47/76/76/409477676.db2.gz SCINQRSFNQSHEN-UWVGGRQHSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC(=O)N1 ZINC000422118996 409478509 /nfs/dbraw/zinc/47/85/09/409478509.db2.gz RPKHMDJJTIKCGP-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN NC[C@@H]1CCCN1C(=O)CN1CCS(=O)(=O)CC1 ZINC000429654139 409478732 /nfs/dbraw/zinc/47/87/32/409478732.db2.gz JGAUTNNXQAHFNR-JTQLQIEISA-N 0 3 275.374 -1.334 20 0 CAADHN CN1CC[C@@H]2OCCN(C(=O)[C@H]3CNCCO3)[C@H]2C1 ZINC000424186722 409478990 /nfs/dbraw/zinc/47/89/90/409478990.db2.gz TVUCXPWGTADKGH-SDDRHHMPSA-N 0 3 269.345 -1.094 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CC(=O)N1C ZINC000423642219 409479043 /nfs/dbraw/zinc/47/90/43/409479043.db2.gz IBXJSEIJFVGUQK-NXEZZACHSA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@@H](CN)N(C)C(=O)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000423704408 409479101 /nfs/dbraw/zinc/47/91/01/409479101.db2.gz MKDDNPMKAMOSGG-VIFPVBQESA-N 0 3 282.344 -1.375 20 0 CAADHN CN1CC[C@@H]2OCCN(C(=O)[C@@H]3COCCN3)[C@@H]2C1 ZINC000424188705 409480126 /nfs/dbraw/zinc/48/01/26/409480126.db2.gz YUCZKXJMGBXUOA-TUAOUCFPSA-N 0 3 269.345 -1.094 20 0 CAADHN CN1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@H](CN)C1 ZINC000515350822 409480260 /nfs/dbraw/zinc/48/02/60/409480260.db2.gz DSILMRXEJNNNBS-VHSXEESVSA-N 0 3 254.334 -1.386 20 0 CAADHN CN1CCN(C(=O)[C@H]2CCNC(=O)C2)[C@@H](CN)C1 ZINC000515350821 409480487 /nfs/dbraw/zinc/48/04/87/409480487.db2.gz DSILMRXEJNNNBS-UWVGGRQHSA-N 0 3 254.334 -1.386 20 0 CAADHN CN1CCN(C(=O)CCn2ccnn2)[C@@H](CN)C1 ZINC000122646237 409474787 /nfs/dbraw/zinc/47/47/87/409474787.db2.gz LBIWVBDTCHYGSR-JTQLQIEISA-N 0 3 252.322 -1.231 20 0 CAADHN CN(C)CCN1CCN(C(=O)Cn2cnc(N)n2)CC1 ZINC000061642057 409474814 /nfs/dbraw/zinc/47/48/14/409474814.db2.gz IFWBJSMKZNMURJ-UHFFFAOYSA-N 0 3 281.364 -1.434 20 0 CAADHN COCCCNC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000653687801 409474997 /nfs/dbraw/zinc/47/49/97/409474997.db2.gz VRLBGAFLEMUXKN-QWRGUYRKSA-N 0 3 259.350 -1.254 20 0 CAADHN CNS(=O)(=O)CCCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000653687254 409475228 /nfs/dbraw/zinc/47/52/28/409475228.db2.gz RNWSLJOBTYLLOL-UWVGGRQHSA-N 0 3 265.379 -1.468 20 0 CAADHN CCNC(=O)CN(C)C[C@H](O)CN(C)CCOC ZINC000653499011 409475445 /nfs/dbraw/zinc/47/54/45/409475445.db2.gz WZDBZVPYAOKUSX-LLVKDONJSA-N 0 3 261.366 -1.007 20 0 CAADHN CO[C@@H]1COC[C@H]1NC[C@H](O)CN1CCOCC1 ZINC000646042032 409483612 /nfs/dbraw/zinc/48/36/12/409483612.db2.gz IYTPGCYLMHMSOZ-QJPTWQEYSA-N 0 3 260.334 -1.317 20 0 CAADHN COCCN1C[C@@H](C(=O)N[C@H](CO)CN(C)C)CC1=O ZINC000646210904 409485247 /nfs/dbraw/zinc/48/52/47/409485247.db2.gz LGWUFCMOFDRLIC-QWRGUYRKSA-N 0 3 287.360 -1.480 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)[C@H]1NCC1(C)C ZINC000659341792 409485647 /nfs/dbraw/zinc/48/56/47/409485647.db2.gz LBGODYZIGQIOFH-IWSPIJDZSA-N 0 3 276.358 -1.087 20 0 CAADHN Cc1nnc(CN(C)CC(=O)N[C@@H](CO)CN(C)C)n1C ZINC000646211823 409485660 /nfs/dbraw/zinc/48/56/60/409485660.db2.gz BIGBDBDXPVZFQC-LLVKDONJSA-N 0 3 298.391 -1.406 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000646211947 409485763 /nfs/dbraw/zinc/48/57/63/409485763.db2.gz GYEKUTBFGBKUGI-ZETCQYMHSA-N 0 3 270.289 -1.862 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCSc1nnnn1C ZINC000646210606 409485842 /nfs/dbraw/zinc/48/58/42/409485842.db2.gz AHUNTYYPLJNJKF-MRVPVSSYSA-N 0 3 288.377 -1.269 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CS(=O)(=O)N(C)C ZINC000646209254 409486305 /nfs/dbraw/zinc/48/63/05/409486305.db2.gz CNWATYAGNGAOKS-MRVPVSSYSA-N 0 3 267.351 -2.084 20 0 CAADHN COCCNCC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000659343367 409486339 /nfs/dbraw/zinc/48/63/39/409486339.db2.gz WJFQLYXAIYFAIM-RKDXNWHRSA-N 0 3 280.346 -1.849 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CN1CC(=O)NC1=O ZINC000646212252 409486597 /nfs/dbraw/zinc/48/65/97/409486597.db2.gz WVPUJYLDPDWJDI-SSDOTTSWSA-N 0 3 258.278 -2.423 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1(C(=O)N(C)C)CC1 ZINC000646209001 409486652 /nfs/dbraw/zinc/48/66/52/409486652.db2.gz RHLJBFLNTLJGSP-SECBINFHSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N=c1nc[nH]n1C ZINC000646320623 409488188 /nfs/dbraw/zinc/48/81/88/409488188.db2.gz MDVONCIJFLVMBX-VIFPVBQESA-N 0 3 295.347 -1.179 20 0 CAADHN COCCNCC(=O)N(C)CCNC(=O)N(C)C ZINC000646286655 409488201 /nfs/dbraw/zinc/48/82/01/409488201.db2.gz PIDUDRSWWXKLCB-UHFFFAOYSA-N 0 3 260.338 -1.048 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1COCCO1 ZINC000646224377 409488248 /nfs/dbraw/zinc/48/82/48/409488248.db2.gz SZOBSDZLWMRCGU-QWRGUYRKSA-N 0 3 258.318 -1.025 20 0 CAADHN CC1(C)CN[C@@H]1C(=O)NCC(=O)N1CCOCC1 ZINC000646294022 409488338 /nfs/dbraw/zinc/48/83/38/409488338.db2.gz IRXBBWHZUHOCKC-SNVBAGLBSA-N 0 3 255.318 -1.041 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CCN(C)C[C@@H]1CN ZINC000646835325 409495173 /nfs/dbraw/zinc/49/51/73/409495173.db2.gz CSHAVYWQAKOSRI-UWVGGRQHSA-N 0 3 254.334 -1.292 20 0 CAADHN COCCN(C)CCNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000646795436 409496110 /nfs/dbraw/zinc/49/61/10/409496110.db2.gz JKGFUQNUCLMOAQ-IJLUTSLNSA-N 0 3 288.344 -1.906 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]CCN2CC[NH2+]CC2)c1 ZINC000052095997 409496648 /nfs/dbraw/zinc/49/66/48/409496648.db2.gz FKNSDDGQJYMWQS-UHFFFAOYSA-N 0 3 273.362 -1.396 20 0 CAADHN OCCN(CCc1cn[nH]n1)CCN1CCOCC1 ZINC000659983418 409489254 /nfs/dbraw/zinc/48/92/54/409489254.db2.gz LZDRYISRACCOHU-UHFFFAOYSA-N 0 3 269.349 -1.026 20 0 CAADHN OCCN(CCc1c[nH]nn1)CCN1CCOCC1 ZINC000659983418 409489259 /nfs/dbraw/zinc/48/92/59/409489259.db2.gz LZDRYISRACCOHU-UHFFFAOYSA-N 0 3 269.349 -1.026 20 0 CAADHN CC1(C)CN[C@@H]1C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000646422006 409489537 /nfs/dbraw/zinc/48/95/37/409489537.db2.gz BSDLFORSDYUKKZ-SNVBAGLBSA-N 0 3 289.401 -1.169 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)CNC[C@H]2CCCO2)CCO1 ZINC000646523530 409489824 /nfs/dbraw/zinc/48/98/24/409489824.db2.gz QHRGZMCISDUTAK-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CC1(C)CN[C@@H]1C(=O)NCC(=O)NCCN1CCOCC1 ZINC000646427862 409489954 /nfs/dbraw/zinc/48/99/54/409489954.db2.gz ZGHDPAAAFJKAQJ-GFCCVEGCSA-N 0 3 298.387 -1.451 20 0 CAADHN CN(C)CCNC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000646578531 409490032 /nfs/dbraw/zinc/49/00/32/409490032.db2.gz DLDQWPVVWWVSBI-MRVPVSSYSA-N 0 3 252.322 -1.111 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000646578607 409490249 /nfs/dbraw/zinc/49/02/49/409490249.db2.gz SCMFNCRYPWJKOS-QMMMGPOBSA-N 0 3 251.352 -1.008 20 0 CAADHN C[N-]S(=O)(=O)c1ccc(C(=O)NCC[NH3+])cn1 ZINC000646572179 409490268 /nfs/dbraw/zinc/49/02/68/409490268.db2.gz ASULGCVFZAYJIX-UHFFFAOYSA-N 0 3 258.303 -1.322 20 0 CAADHN CCN1CCC(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CC1 ZINC000646618631 409490375 /nfs/dbraw/zinc/49/03/75/409490375.db2.gz YXVYAOGMYFSEPL-JHJVBQTASA-N 0 3 284.356 -1.000 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000646610631 409490465 /nfs/dbraw/zinc/49/04/65/409490465.db2.gz DLFWPTVROVUSCV-FDYHWXHSSA-N 0 3 284.356 -1.000 20 0 CAADHN CC1(C)CN[C@H]1C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000646422005 409490874 /nfs/dbraw/zinc/49/08/74/409490874.db2.gz BSDLFORSDYUKKZ-JTQLQIEISA-N 0 3 289.401 -1.169 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000646523533 409490928 /nfs/dbraw/zinc/49/09/28/409490928.db2.gz QHRGZMCISDUTAK-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000646610632 409491075 /nfs/dbraw/zinc/49/10/75/409491075.db2.gz DLFWPTVROVUSCV-UMSGYPCISA-N 0 3 284.356 -1.000 20 0 CAADHN COCCN(C)CCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000646669296 409491783 /nfs/dbraw/zinc/49/17/83/409491783.db2.gz HCNSLKFCJKFFMM-VIFPVBQESA-N 0 3 286.332 -1.331 20 0 CAADHN COCCN(C)CCNC(=O)[C@@H]1CCN=C2C1=NNN2C ZINC000646795491 409494352 /nfs/dbraw/zinc/49/43/52/409494352.db2.gz MNLSZHIVUHVMMU-SNVBAGLBSA-N 0 3 296.375 -1.095 20 0 CAADHN Cn1nnc(CNC(=O)N2CC[C@@H](F)[C@H](N)C2)n1 ZINC000659486986 409556874 /nfs/dbraw/zinc/55/68/74/409556874.db2.gz VGPISIKHGURFEX-RNFRBKRXSA-N 0 3 257.273 -1.209 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000659727956 409569730 /nfs/dbraw/zinc/56/97/30/409569730.db2.gz MFAYWOVJEUUTJF-UTUOFQBUSA-N 0 3 297.355 -1.414 20 0 CAADHN NC[C@H](NC(=O)C(=O)N[C@H]1CCNC1=O)C1CCCC1 ZINC000659719888 409569813 /nfs/dbraw/zinc/56/98/13/409569813.db2.gz NEDZIRBOQVDDOU-UWVGGRQHSA-N 0 3 282.344 -1.375 20 0 CAADHN N[C@@H]1CN(C(=O)NCC(=O)N2CCOCC2)CC[C@H]1F ZINC000659482006 409557943 /nfs/dbraw/zinc/55/79/43/409557943.db2.gz TXXTYLGAGAIJBN-NXEZZACHSA-N 0 3 288.323 -1.074 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H](CN)C1CC1 ZINC000659518721 409558097 /nfs/dbraw/zinc/55/80/97/409558097.db2.gz JLZIVIJZOOHGHN-OPRDCNLKSA-N 0 3 291.373 -1.165 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NC[C@@H](C)N ZINC000659535681 409558716 /nfs/dbraw/zinc/55/87/16/409558716.db2.gz CUHSCVNESMWCTB-GJMOJQLCSA-N 0 3 265.335 -1.555 20 0 CAADHN N[C@@H]1CN(C(=O)NCCN2C(=O)CNC2=O)CC[C@H]1F ZINC000659454224 409558751 /nfs/dbraw/zinc/55/87/51/409558751.db2.gz DHKZCYUYEOSMBP-HTQZYQBOSA-N 0 3 287.295 -1.381 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@H](N)C1 ZINC000659565777 409559932 /nfs/dbraw/zinc/55/99/32/409559932.db2.gz TZNFZILMPNVPCQ-DJLDLDEBSA-N 0 3 277.346 -1.459 20 0 CAADHN CN1C[C@H](NC(=O)C(=O)N2CC3CC2(CN)C3)CCC1=O ZINC000659682778 409561018 /nfs/dbraw/zinc/56/10/18/409561018.db2.gz NFFKQHVKWPCIQE-OPASDULOSA-N 0 3 294.355 -1.327 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CC[C@H](N)C1 ZINC000659565783 409561138 /nfs/dbraw/zinc/56/11/38/409561138.db2.gz TZNFZILMPNVPCQ-YIZRAAEISA-N 0 3 277.346 -1.459 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)NCCn1ccnc1 ZINC000659677443 409561454 /nfs/dbraw/zinc/56/14/54/409561454.db2.gz NSDRASFSGCIIRI-UHFFFAOYSA-N 0 3 277.328 -1.051 20 0 CAADHN CO[C@H](CNC(=O)C(=O)NC1CNC1)[C@@H]1CCOC1 ZINC000659715162 409563360 /nfs/dbraw/zinc/56/33/60/409563360.db2.gz SOCAGVLGTOFISH-PSASIEDQSA-N 0 3 271.317 -1.758 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000659715615 409563484 /nfs/dbraw/zinc/56/34/84/409563484.db2.gz XNFSZCSWJRDLMP-RKDXNWHRSA-N 0 3 253.302 -1.431 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCC[C@](O)(C2CC2)C1 ZINC000659715624 409563759 /nfs/dbraw/zinc/56/37/59/409563759.db2.gz XPUHQMDGEOADDI-CYBMUJFWSA-N 0 3 267.329 -1.162 20 0 CAADHN CC(C)(C)N1C[C@@H](CNC(=O)C(=O)NCCN)CC1=O ZINC000659710020 409563972 /nfs/dbraw/zinc/56/39/72/409563972.db2.gz OIAVTBGZITVLQR-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN NCCNC(=O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000659711110 409564398 /nfs/dbraw/zinc/56/43/98/409564398.db2.gz WGVUFBJYQZDCCK-ZCFIWIBFSA-N 0 3 251.233 -1.398 20 0 CAADHN CO[C@H](CNC(=O)C(=O)NC1CNC1)[C@H]1CCOC1 ZINC000659715168 409564491 /nfs/dbraw/zinc/56/44/91/409564491.db2.gz SOCAGVLGTOFISH-WCBMZHEXSA-N 0 3 271.317 -1.758 20 0 CAADHN O=C(NCCO[C@H]1CC1(F)F)C(=O)NC1CNC1 ZINC000659713582 409564511 /nfs/dbraw/zinc/56/45/11/409564511.db2.gz FKYRZKGDVSHAMO-ZETCQYMHSA-N 0 3 263.244 -1.385 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)NCc1cc[nH]n1 ZINC000659710801 409565994 /nfs/dbraw/zinc/56/59/94/409565994.db2.gz VAYFKNAHNYGDPU-UHFFFAOYSA-N 0 3 263.301 -1.024 20 0 CAADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)NC1CNC1 ZINC000659714129 409566600 /nfs/dbraw/zinc/56/66/00/409566600.db2.gz JZHLZUSSCBXBNM-SECBINFHSA-N 0 3 257.290 -2.052 20 0 CAADHN CNS(=O)(=O)CCCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000653827393 409497538 /nfs/dbraw/zinc/49/75/38/409497538.db2.gz YPDSYSZGXTUVNB-WDEREUQCSA-N 0 3 277.390 -1.324 20 0 CAADHN NC(=O)[C@@]1(NCCCN2CCOCC2)CCOC1 ZINC000653841445 409497654 /nfs/dbraw/zinc/49/76/54/409497654.db2.gz CNCZGCNOAGDWPY-GFCCVEGCSA-N 0 3 257.334 -1.057 20 0 CAADHN CNS(=O)(=O)[C@H]1CCN(CCc2c[nH]nn2)C1 ZINC000660116873 409501259 /nfs/dbraw/zinc/50/12/59/409501259.db2.gz DSALNBRKQAIKRG-VIFPVBQESA-N 0 3 259.335 -1.029 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1COCCN1C ZINC000649070523 409502979 /nfs/dbraw/zinc/50/29/79/409502979.db2.gz QDFOUXYMDRTRHG-NEPJUHHUSA-N 0 3 298.387 -1.105 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(C(N)=O)CC1 ZINC000649075295 409503036 /nfs/dbraw/zinc/50/30/36/409503036.db2.gz ACOZRUSZCSPHAQ-SECBINFHSA-N 0 3 282.344 -1.170 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@]1(O)CCOC1 ZINC000649069673 409503093 /nfs/dbraw/zinc/50/30/93/409503093.db2.gz XNTXJTWASHJNSD-GXFFZTMASA-N 0 3 285.344 -1.284 20 0 CAADHN COC[C@@](C)(O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649074186 409503186 /nfs/dbraw/zinc/50/31/86/409503186.db2.gz CPBBKIRTKWZOPE-ZWNOBZJWSA-N 0 3 287.360 -1.038 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CN(C)CCO1 ZINC000649075064 409503255 /nfs/dbraw/zinc/50/32/55/409503255.db2.gz VUYFAGGSOGPXHG-VXGBXAGGSA-N 0 3 298.387 -1.105 20 0 CAADHN CCCN(C(=O)CNS(=O)(=O)NC)[C@@H]1CCN(C)C1 ZINC000648996603 409503493 /nfs/dbraw/zinc/50/34/93/409503493.db2.gz WILXZEGHSNLOOW-SNVBAGLBSA-N 0 3 292.405 -1.017 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1nc[nH]n1 ZINC000649073434 409503603 /nfs/dbraw/zinc/50/36/03/409503603.db2.gz XBNCLUQRGAALEI-QMMMGPOBSA-N 0 3 266.305 -1.003 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649071092 409503893 /nfs/dbraw/zinc/50/38/93/409503893.db2.gz CDLFKBYZMVPXSI-DTWKUNHWSA-N 0 3 285.348 -1.378 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@]1(O)CCOC1 ZINC000649069672 409503898 /nfs/dbraw/zinc/50/38/98/409503898.db2.gz XNTXJTWASHJNSD-GWCFXTLKSA-N 0 3 285.344 -1.284 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1cncn1 ZINC000649079174 409504129 /nfs/dbraw/zinc/50/41/29/409504129.db2.gz YCVRFWRODKIONE-SNVBAGLBSA-N 0 3 280.332 -1.144 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1(C(N)=O)CC1 ZINC000649075296 409504215 /nfs/dbraw/zinc/50/42/15/409504215.db2.gz ACOZRUSZCSPHAQ-VIFPVBQESA-N 0 3 282.344 -1.170 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1cncn1 ZINC000649079173 409504253 /nfs/dbraw/zinc/50/42/53/409504253.db2.gz YCVRFWRODKIONE-JTQLQIEISA-N 0 3 280.332 -1.144 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)CC(N)=O ZINC000649075861 409504376 /nfs/dbraw/zinc/50/43/76/409504376.db2.gz LOEHMIIIRBUMES-MRVPVSSYSA-N 0 3 256.306 -1.560 20 0 CAADHN CNC(=O)NCC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000649072272 409504535 /nfs/dbraw/zinc/50/45/35/409504535.db2.gz BMGIVKZYYLPELE-SECBINFHSA-N 0 3 285.348 -1.506 20 0 CAADHN CC(=O)NCC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649080844 409504555 /nfs/dbraw/zinc/50/45/55/409504555.db2.gz GXRGXIQYMQJYNO-VIFPVBQESA-N 0 3 270.333 -1.299 20 0 CAADHN CNC(=O)NCCC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000649070621 409504582 /nfs/dbraw/zinc/50/45/82/409504582.db2.gz RTPRFYDHZPEXQC-JTQLQIEISA-N 0 3 299.375 -1.116 20 0 CAADHN O=C(NCCN1CCNC(=O)C1)N[C@H]1CCN(C2CC2)C1 ZINC000543762577 409506147 /nfs/dbraw/zinc/50/61/47/409506147.db2.gz LKACZXQOUNGEMX-NSHDSACASA-N 0 3 295.387 -1.046 20 0 CAADHN CCN1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](C)C1 ZINC000649825095 409509373 /nfs/dbraw/zinc/50/93/73/409509373.db2.gz SFRPNLRVFSZHIT-IUCAKERBSA-N 0 3 280.332 -1.167 20 0 CAADHN O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@@H]1COCCO1 ZINC000573441067 409510125 /nfs/dbraw/zinc/51/01/25/409510125.db2.gz GQSIHRKMNRAIDR-QMMMGPOBSA-N 0 3 282.304 -1.432 20 0 CAADHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@H](O)CN1CCOCC1 ZINC000573403860 409510158 /nfs/dbraw/zinc/51/01/58/409510158.db2.gz QHAUQJNMXXZSTE-GRYCIOLGSA-N 0 3 271.361 -1.206 20 0 CAADHN CN(C)CC1(NC(=O)Cn2cnc(C(N)=O)n2)CCC1 ZINC000649993820 409510366 /nfs/dbraw/zinc/51/03/66/409510366.db2.gz HJPYYGGMHOLZPJ-UHFFFAOYSA-N 0 3 280.332 -1.023 20 0 CAADHN CCN1C[C@@H](C)[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC000649825093 409510407 /nfs/dbraw/zinc/51/04/07/409510407.db2.gz SFRPNLRVFSZHIT-BDAKNGLRSA-N 0 3 280.332 -1.167 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000659730067 409568031 /nfs/dbraw/zinc/56/80/31/409568031.db2.gz UWGKXZZNUNMQEG-NEPJUHHUSA-N 0 3 298.387 -1.309 20 0 CAADHN O=C(NCC[C@@]1(O)CCOC1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654605123 409511223 /nfs/dbraw/zinc/51/12/23/409511223.db2.gz VWSRQXHWRHPPJB-OUCADQQQSA-N 0 3 299.371 -1.012 20 0 CAADHN CN1CC[C@H](NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1=O ZINC000654453913 409511342 /nfs/dbraw/zinc/51/13/42/409511342.db2.gz IAIWNZUMGHVPOE-AXFHLTTASA-N 0 3 282.344 -1.323 20 0 CAADHN CC1(OCC(=O)NCCN2C(=O)CCC2=O)CNC1 ZINC000405320145 409511520 /nfs/dbraw/zinc/51/15/20/409511520.db2.gz OAHDCTNRWFZLKI-UHFFFAOYSA-N 0 3 269.301 -1.370 20 0 CAADHN Cc1nn(CC(=O)NC[C@H](C)N(C)C)c(=O)n1C ZINC000654480278 409511559 /nfs/dbraw/zinc/51/15/59/409511559.db2.gz SOOJTFISXBZSOA-QMMMGPOBSA-N 0 3 255.322 -1.043 20 0 CAADHN O=C(NC[C@H]1CCCNC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654592641 409511634 /nfs/dbraw/zinc/51/16/34/409511634.db2.gz YYMXLEHIJCAXIY-GRYCIOLGSA-N 0 3 296.371 -1.027 20 0 CAADHN C[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(=O)N(C)C ZINC000654380771 409511677 /nfs/dbraw/zinc/51/16/77/409511677.db2.gz DTTOKNSCXFVBAQ-OUAUKWLOSA-N 0 3 284.360 -1.077 20 0 CAADHN CN(C)S(=O)(=O)CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000405265519 409511731 /nfs/dbraw/zinc/51/17/31/409511731.db2.gz PFAXSTQCGHRCCT-WDEREUQCSA-N 0 3 277.390 -1.371 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC000654758925 409512330 /nfs/dbraw/zinc/51/23/30/409512330.db2.gz WJHKEDXAAPQMND-NSHDSACASA-N 0 3 297.359 -1.273 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCC1(CO)CC1 ZINC000126472676 409512383 /nfs/dbraw/zinc/51/23/83/409512383.db2.gz CADUJWMCNRMRPF-JTQLQIEISA-N 0 3 257.334 -1.025 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC000654758924 409512676 /nfs/dbraw/zinc/51/26/76/409512676.db2.gz WJHKEDXAAPQMND-LLVKDONJSA-N 0 3 297.359 -1.273 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@@](O)(C(N)=O)C2)C1 ZINC000655021195 409513611 /nfs/dbraw/zinc/51/36/11/409513611.db2.gz FMJODQNJKHZGKE-CABZTGNLSA-N 0 3 255.318 -1.223 20 0 CAADHN CCN(CCO)CCNC(=O)C[C@@H](C)NC(N)=O ZINC000655003609 409514082 /nfs/dbraw/zinc/51/40/82/409514082.db2.gz IUURMCRCYVRCQN-SECBINFHSA-N 0 3 260.338 -1.136 20 0 CAADHN CCN1CCN(CCC(=O)N[C@H]2CC(=O)N(C)C2=O)CC1 ZINC000655061131 409514093 /nfs/dbraw/zinc/51/40/93/409514093.db2.gz SKCBQIUHHFOWHT-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)CCn1ccc(C(=O)NC(C)(CO)CO)n1 ZINC000654992534 409514401 /nfs/dbraw/zinc/51/44/01/409514401.db2.gz RRDUWVZMLDEDTQ-UHFFFAOYSA-N 0 3 270.333 -1.082 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@](O)(C(N)=O)C2)C1 ZINC000655021194 409514579 /nfs/dbraw/zinc/51/45/79/409514579.db2.gz FMJODQNJKHZGKE-BXKDBHETSA-N 0 3 255.318 -1.223 20 0 CAADHN CNC(=O)CC(=O)N1CCCN(C[C@@H](O)COC)CC1 ZINC001195633094 782012059 /nfs/dbraw/zinc/01/20/59/782012059.db2.gz OGGRWRQEQTZXRV-LLVKDONJSA-N 0 3 287.360 -1.336 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C(=O)NCCN(C)C ZINC000655081146 409515762 /nfs/dbraw/zinc/51/57/62/409515762.db2.gz VBZUENXKWHCRFH-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CNC(=O)c2ccncc2)C[C@@H]1O ZINC000655095696 409515917 /nfs/dbraw/zinc/51/59/17/409515917.db2.gz ITTORISVBLUELL-RYUDHWBXSA-N 0 3 292.339 -1.055 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@]2(O)CCSC2)C[C@@H]1O ZINC000655095967 409516276 /nfs/dbraw/zinc/51/62/76/409516276.db2.gz CCUDMCJRDRPKEB-QXEWZRGKSA-N 0 3 260.359 -1.012 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2CCN(C)CC2)C[C@@H]1O ZINC000655094482 409516353 /nfs/dbraw/zinc/51/63/53/409516353.db2.gz LJYOTNJNFWPEAU-RYUDHWBXSA-N 0 3 270.377 -1.633 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@@H]1O ZINC000655096264 409516683 /nfs/dbraw/zinc/51/66/83/409516683.db2.gz SRRYHUQVEQZRPY-GUBZILKMSA-N 0 3 291.373 -1.846 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCCC(=O)N2)C[C@@H]1O ZINC000655096026 409517186 /nfs/dbraw/zinc/51/71/86/409517186.db2.gz TZMFZFPWJHZWEH-GUBZILKMSA-N 0 3 255.318 -1.212 20 0 CAADHN Cc1nn(CC(=O)N[C@@H](C)CN(C)C)c(=O)n1C ZINC000655077570 409517344 /nfs/dbraw/zinc/51/73/44/409517344.db2.gz OOJFCWQJSKNAAB-QMMMGPOBSA-N 0 3 255.322 -1.043 20 0 CAADHN O=C(NCC(F)F)C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000655073765 409517355 /nfs/dbraw/zinc/51/73/55/409517355.db2.gz RFZNGPJJOGBWHK-GFCCVEGCSA-N 0 3 291.298 -1.059 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)C[C@@H]1O ZINC000655093722 409517438 /nfs/dbraw/zinc/51/74/38/409517438.db2.gz LPKXEZQYBLSYMD-IUCAKERBSA-N 0 3 298.343 -1.550 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CC[C@H]2C(N)=O)CC1=O ZINC000655164426 409518770 /nfs/dbraw/zinc/51/87/70/409518770.db2.gz QPVWUAJGMIWZRJ-MNOVXSKESA-N 0 3 296.371 -1.270 20 0 CAADHN NC[C@@H](NC(=O)N1CCO[C@@H](C(N)=O)C1)C(F)(F)F ZINC000655912669 409519023 /nfs/dbraw/zinc/51/90/23/409519023.db2.gz AZZBDBFFXVUKSW-PHDIDXHHSA-N 0 3 284.238 -1.228 20 0 CAADHN CO[C@](C)(CO)CNCc1cn(C)c(=O)n(C)c1=O ZINC000655808792 409519095 /nfs/dbraw/zinc/51/90/95/409519095.db2.gz IYSIYUZDOSVMRY-LBPRGKRZSA-N 0 3 271.317 -1.429 20 0 CAADHN C[C@H](CNC(=O)N[C@H](CN)C(F)(F)F)S(N)(=O)=O ZINC000655920834 409519248 /nfs/dbraw/zinc/51/92/48/409519248.db2.gz JGLVYVPLGOECOL-RFZPGFLSSA-N 0 3 292.283 -1.148 20 0 CAADHN CC(CO)(CO)NC(=O)N[C@@H](CN)C(F)(F)F ZINC000655923112 409519397 /nfs/dbraw/zinc/51/93/97/409519397.db2.gz UJEKBXVKMGVSCW-YFKPBYRVSA-N 0 3 259.228 -1.082 20 0 CAADHN NC[C@@H](NC(=O)N[C@@H]1COC[C@H]1O)C(F)(F)F ZINC000655932687 409519555 /nfs/dbraw/zinc/51/95/55/409519555.db2.gz ZNWYJZXMTXKVMJ-HSUXUTPPSA-N 0 3 257.212 -1.065 20 0 CAADHN NC[C@H](NC(=O)NCCN1CCNC(=O)C1)C(F)(F)F ZINC000655919520 409519613 /nfs/dbraw/zinc/51/96/13/409519613.db2.gz BWDFOCULHMELAT-ZETCQYMHSA-N 0 3 297.281 -1.393 20 0 CAADHN NC[C@H](NC(=O)N[C@H]1CCC(=O)NC1=O)C(F)(F)F ZINC000655921245 409519912 /nfs/dbraw/zinc/51/99/12/409519912.db2.gz KLXIAVAUPGOEND-WHFBIAKZSA-N 0 3 282.222 -1.020 20 0 CAADHN NC[C@@H](NC(=O)N1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)C(F)(F)F ZINC000655932192 409520023 /nfs/dbraw/zinc/52/00/23/409520023.db2.gz TVPGIGPKYYUKBF-NGJCXOISSA-N 0 3 294.233 -1.210 20 0 CAADHN COCCNC(=O)CNC(=O)N[C@@H](CN)C(F)(F)F ZINC000655914344 409520165 /nfs/dbraw/zinc/52/01/65/409520165.db2.gz XTGOUNWVCQMUAR-LURJTMIESA-N 0 3 286.254 -1.062 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000659716678 409568392 /nfs/dbraw/zinc/56/83/92/409568392.db2.gz BFNWDTJIKTXALQ-UTLUCORTSA-N 0 3 255.318 -1.055 20 0 CAADHN C[C@@H](CNC(=O)N[C@H](CN)C(F)(F)F)S(N)(=O)=O ZINC000655920831 409520312 /nfs/dbraw/zinc/52/03/12/409520312.db2.gz JGLVYVPLGOECOL-CRCLSJGQSA-N 0 3 292.283 -1.148 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N[C@@H](CN)C(F)(F)F ZINC000655927872 409520408 /nfs/dbraw/zinc/52/04/08/409520408.db2.gz JLRLITTWXKIFFD-YFKPBYRVSA-N 0 3 292.283 -1.276 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656022686 409525999 /nfs/dbraw/zinc/52/59/99/409525999.db2.gz JUAXQPMTHOWCTK-KXUCPTDWSA-N 0 3 270.333 -2.273 20 0 CAADHN C[C@H](CNC(=O)C(=O)NCCN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656018162 409526562 /nfs/dbraw/zinc/52/65/62/409526562.db2.gz PXUHVUWALKNNAZ-MXWKQRLJSA-N 0 3 286.376 -1.325 20 0 CAADHN COCC1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC000656023443 409527062 /nfs/dbraw/zinc/52/70/62/409527062.db2.gz CLHIMTVGLBTYJA-SNVBAGLBSA-N 0 3 285.344 -1.366 20 0 CAADHN C[C@@H]1CNCCN1C(=O)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000656102015 409528618 /nfs/dbraw/zinc/52/86/18/409528618.db2.gz ATBMQRLZTSPLSB-GRYCIOLGSA-N 0 3 296.371 -1.916 20 0 CAADHN CN(C)CCN1CCN(c2cc(=O)n(C)cn2)CC1=O ZINC000656202973 409529016 /nfs/dbraw/zinc/52/90/16/409529016.db2.gz CKKICZRZCHYTKK-UHFFFAOYSA-N 0 3 279.344 -1.010 20 0 CAADHN O[C@@H]1C[C@H]2CN(c3nccn4nnnc34)CCN2C1 ZINC000656219388 409529267 /nfs/dbraw/zinc/52/92/67/409529267.db2.gz VTYDZJILIYLYLS-DTWKUNHWSA-N 0 3 261.289 -1.226 20 0 CAADHN O[C@@H](CNC1COCCOC1)CN1CCOCC1 ZINC000310868609 409529792 /nfs/dbraw/zinc/52/97/92/409529792.db2.gz SYKVEFSPILCJNN-LBPRGKRZSA-N 0 3 260.334 -1.316 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCN1 ZINC000656104109 409531064 /nfs/dbraw/zinc/53/10/64/409531064.db2.gz HMLVNZZQCDGFRC-SDDRHHMPSA-N 0 3 296.371 -1.916 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000659716676 409568945 /nfs/dbraw/zinc/56/89/45/409568945.db2.gz BFNWDTJIKTXALQ-KXUCPTDWSA-N 0 3 255.318 -1.055 20 0 CAADHN CC(=O)c1cn(C[C@H]2CNCCO2)c(=O)n(C)c1=O ZINC000656611698 409533809 /nfs/dbraw/zinc/53/38/09/409533809.db2.gz NOABWBOSQIOEMV-SECBINFHSA-N 0 3 267.285 -1.262 20 0 CAADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000659718154 409569020 /nfs/dbraw/zinc/56/90/20/409569020.db2.gz ODZQCWPNHOQQSP-MNOVXSKESA-N 0 3 285.344 -1.286 20 0 CAADHN COC[C@H](O)CNCC(C)(C)NS(C)(=O)=O ZINC000068892100 409538339 /nfs/dbraw/zinc/53/83/39/409538339.db2.gz IVDHGKBSDYKFDT-MRVPVSSYSA-N 0 3 254.352 -1.089 20 0 CAADHN C[C@@H](O)CN1CCN(c2nc(N)nc(N)n2)[C@H](C)C1 ZINC000624119013 409538576 /nfs/dbraw/zinc/53/85/76/409538576.db2.gz UZCOHHIRLXBWBR-HTQZYQBOSA-N 0 3 267.337 -1.412 20 0 CAADHN COCCO[C@H]1COCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624116111 409538900 /nfs/dbraw/zinc/53/89/00/409538900.db2.gz JALPHZHFRJVETO-SFYZADRCSA-N 0 3 284.320 -1.649 20 0 CAADHN COCCO[C@@H]1COCC[C@H]1Nc1nc(N)nc(N)n1 ZINC000624116109 409540091 /nfs/dbraw/zinc/54/00/91/409540091.db2.gz JALPHZHFRJVETO-HTQZYQBOSA-N 0 3 284.320 -1.649 20 0 CAADHN COCCO[C@H]1COCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000624116112 409540113 /nfs/dbraw/zinc/54/01/13/409540113.db2.gz JALPHZHFRJVETO-YUMQZZPRSA-N 0 3 284.320 -1.649 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)C(=O)N3CCNC(=O)C3)C[C@@H]21 ZINC000657621548 409540554 /nfs/dbraw/zinc/54/05/54/409540554.db2.gz SJCJSPGUFVYKGA-ZJUUUORDSA-N 0 3 280.328 -1.893 20 0 CAADHN CCn1cccc(CNc2nc(N)nc(N)n2)c1=O ZINC000624167255 409543184 /nfs/dbraw/zinc/54/31/84/409543184.db2.gz VWOTZQFILYPICB-UHFFFAOYSA-N 0 3 261.289 -1.088 20 0 CAADHN CC(C)OC[C@H](CO)N(C)c1nc(N)nc(N)n1 ZINC000624158853 409543371 /nfs/dbraw/zinc/54/33/71/409543371.db2.gz MLONMXDATYDVRJ-ZETCQYMHSA-N 0 3 256.310 -1.081 20 0 CAADHN COCCOCCOCCN(C)c1nc(N)nc(N)n1 ZINC000624150004 409543430 /nfs/dbraw/zinc/54/34/30/409543430.db2.gz KERQIWLKLGAJHZ-UHFFFAOYSA-N 0 3 286.336 -1.187 20 0 CAADHN C[C@@H]1CN(c2nc(N)nc(N)n2)CCN1CC(C)(C)O ZINC000624144298 409543581 /nfs/dbraw/zinc/54/35/81/409543581.db2.gz MCEJXRYFZRKALM-MRVPVSSYSA-N 0 3 281.364 -1.022 20 0 CAADHN COC[C@@H](Nc1nc(N)nc(N)n1)[C@@H]1CCCO1 ZINC000624168844 409543956 /nfs/dbraw/zinc/54/39/56/409543956.db2.gz KXXGPYBVSMHXGG-RQJHMYQMSA-N 0 3 254.294 -1.275 20 0 CAADHN CS(=O)(=O)N1CC(CNc2nc(N)nc(N)n2)C1 ZINC000624124899 409544136 /nfs/dbraw/zinc/54/41/36/409544136.db2.gz NWYPAMZGLOCZKO-UHFFFAOYSA-N 0 3 273.322 -2.578 20 0 CAADHN C[C@H]1CN(CC(C)(C)O)CCN1c1nc(N)nc(N)n1 ZINC000624142394 409544505 /nfs/dbraw/zinc/54/45/05/409544505.db2.gz WBOXYXZLVUNEBO-QMMMGPOBSA-N 0 3 281.364 -1.022 20 0 CAADHN CCOCCOC[C@H](O)CNc1nc(N)nc(N)n1 ZINC000624155079 409544709 /nfs/dbraw/zinc/54/47/09/409544709.db2.gz FPQGFDBVLCWPQH-SSDOTTSWSA-N 0 3 272.309 -2.055 20 0 CAADHN C[C@@H]1OCC[C@@H]1N(CCO)c1nc(N)nc(N)n1 ZINC000624179053 409544855 /nfs/dbraw/zinc/54/48/55/409544855.db2.gz KDRLJNKRQBBWPC-BQBZGAKWSA-N 0 3 254.294 -1.327 20 0 CAADHN Cc1cc(NCCNc2nc(N)nc(N)n2)n(C)n1 ZINC000624178111 409544952 /nfs/dbraw/zinc/54/49/52/409544952.db2.gz QCSKYHJTZUVXDX-UHFFFAOYSA-N 0 3 263.309 -1.315 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)NC[C@@H]1CCCC[NH2+]1 ZINC000130420821 409545207 /nfs/dbraw/zinc/54/52/07/409545207.db2.gz ZEZYKPHRUGOSTG-QMMMGPOBSA-N 0 3 254.290 -1.204 20 0 CAADHN CO[C@@H](CS(=O)(=O)NC1CNC1)[C@@H]1CCOC1 ZINC000658366657 409545298 /nfs/dbraw/zinc/54/52/98/409545298.db2.gz QXUAWXQGHBAIFA-SCZZXKLOSA-N 0 3 264.347 -1.071 20 0 CAADHN NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1c1nc(N)nc(N)n1 ZINC000624150056 409545381 /nfs/dbraw/zinc/54/53/81/409545381.db2.gz NHPQKTNHLPTAMI-XVMARJQXSA-N 0 3 263.305 -1.213 20 0 CAADHN CS(=O)(=O)C1(CNc2nc(N)nc(N)n2)CCC1 ZINC000624176992 409546480 /nfs/dbraw/zinc/54/64/80/409546480.db2.gz VTUPDZMAHFZZHY-UHFFFAOYSA-N 0 3 272.334 -1.502 20 0 CAADHN Nc1nc(N)nc(NCCc2csc(=O)[nH]2)n1 ZINC000624151681 409546760 /nfs/dbraw/zinc/54/67/60/409546760.db2.gz XZSRQOBJORUTCX-UHFFFAOYSA-N 0 3 253.291 -1.065 20 0 CAADHN Cn1ccnc1N1CCC(Nc2nc(N)nc(N)n2)CC1 ZINC000624152908 409546862 /nfs/dbraw/zinc/54/68/62/409546862.db2.gz NPNBQNBPXFQXSC-UHFFFAOYSA-N 0 3 289.347 -1.067 20 0 CAADHN C[C@@H](CNc1nc(N)nc(N)n1)N1CCCCC1=O ZINC000624149933 409547490 /nfs/dbraw/zinc/54/74/90/409547490.db2.gz FPBQXEAVJRHBAI-ZETCQYMHSA-N 0 3 265.321 -1.068 20 0 CAADHN COC[C@@H]1CN(c2nc(N)nc(N)n2)C[C@H](C)O1 ZINC000624146037 409547606 /nfs/dbraw/zinc/54/76/06/409547606.db2.gz PEEDNKLCFDQFTH-BQBZGAKWSA-N 0 3 254.294 -1.063 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000659716655 409569520 /nfs/dbraw/zinc/56/95/20/409569520.db2.gz BFNWDTJIKTXALQ-BBBLOLIVSA-N 0 3 255.318 -1.055 20 0 CAADHN CO[C@@H](CS(=O)(=O)NC1CNC1)[C@H]1CCOC1 ZINC000658366659 409551146 /nfs/dbraw/zinc/55/11/46/409551146.db2.gz QXUAWXQGHBAIFA-WPRPVWTQSA-N 0 3 264.347 -1.071 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000659716677 409570262 /nfs/dbraw/zinc/57/02/62/409570262.db2.gz BFNWDTJIKTXALQ-OPRDCNLKSA-N 0 3 255.318 -1.055 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)NCC(=O)N(C)C)C1 ZINC000658778037 409551610 /nfs/dbraw/zinc/55/16/10/409551610.db2.gz LIYCVLJTTZOODT-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CNCC(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000659372873 409552923 /nfs/dbraw/zinc/55/29/23/409552923.db2.gz JHZJZXVXVMIVCA-HRDYMLBCSA-N 0 3 262.331 -1.524 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@H](C)[C@H](C)N ZINC000659342796 409553090 /nfs/dbraw/zinc/55/30/90/409553090.db2.gz RTDFGNSFHPLCES-RYPBNFRJSA-N 0 3 264.347 -1.102 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)CCOC1CNC1 ZINC000659340800 409553206 /nfs/dbraw/zinc/55/32/06/409553206.db2.gz ANIQSVVVWAGMDM-NXEZZACHSA-N 0 3 292.357 -1.707 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(C)(C)CN ZINC000659341785 409553695 /nfs/dbraw/zinc/55/36/95/409553695.db2.gz KZKWUMUWDUPKGP-JGVFFNPUSA-N 0 3 264.347 -1.101 20 0 CAADHN CN1CC[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)S1(=O)=O ZINC000659386581 409553779 /nfs/dbraw/zinc/55/37/79/409553779.db2.gz BFBPMJDZMTVKMG-HLTSFMKQSA-N 0 3 279.337 -1.082 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCOC1CNC1 ZINC000659340803 409553923 /nfs/dbraw/zinc/55/39/23/409553923.db2.gz ANIQSVVVWAGMDM-VHSXEESVSA-N 0 3 292.357 -1.707 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNC1CC1 ZINC000659342387 409554108 /nfs/dbraw/zinc/55/41/08/409554108.db2.gz ORRCRIIDXYQYDG-IUCAKERBSA-N 0 3 262.331 -1.333 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@H]3CCN3)C[C@H]21 ZINC000659373211 409554625 /nfs/dbraw/zinc/55/46/25/409554625.db2.gz OHHWKELJYDHOGX-JLIMGVALSA-N 0 3 274.342 -1.381 20 0 CAADHN CC(C)NC(=O)CN(C)CC(=O)N1CCOC2(CNC2)C1 ZINC000663493602 409620941 /nfs/dbraw/zinc/62/09/41/409620941.db2.gz JTQGBHNDPIUBGQ-UHFFFAOYSA-N 0 3 298.387 -1.356 20 0 CAADHN O=C(CN1CCCNC1=O)N1CCOC2(CNC2)C1 ZINC000663486769 409621773 /nfs/dbraw/zinc/62/17/73/409621773.db2.gz SWPRMIPMVQMZEV-UHFFFAOYSA-N 0 3 268.317 -1.398 20 0 CAADHN CCS(=O)(=O)NCC(=O)N1CCOC2(CNC2)C1 ZINC000663493597 409621827 /nfs/dbraw/zinc/62/18/27/409621827.db2.gz JSNATRVQLIIHAL-UHFFFAOYSA-N 0 3 277.346 -1.874 20 0 CAADHN O=C(N1CCOC2(CNC2)C1)C1(n2cnnn2)CC1 ZINC000663217247 409622008 /nfs/dbraw/zinc/62/20/08/409622008.db2.gz FWXKWMXEPCRYSL-UHFFFAOYSA-N 0 3 264.289 -1.637 20 0 CAADHN Cn1c(N2CC[C@@H](F)[C@H](N)C2)cc(=O)n(C)c1=O ZINC000663242668 409622213 /nfs/dbraw/zinc/62/22/13/409622213.db2.gz YCABZNDBPLYJRN-HTQZYQBOSA-N 0 3 256.281 -1.041 20 0 CAADHN O=C(CN1CCCS1(=O)=O)N1CCOC2(CNC2)C1 ZINC000663493598 409622810 /nfs/dbraw/zinc/62/28/10/409622810.db2.gz JSRMPUCUTHFHTP-UHFFFAOYSA-N 0 3 289.357 -1.777 20 0 CAADHN COCCN1C[C@@H](C(=O)N2CCOC3(CNC3)C2)CC1=O ZINC000663493608 409622888 /nfs/dbraw/zinc/62/28/88/409622888.db2.gz JVWRAZNTFCBTNB-NSHDSACASA-N 0 3 297.355 -1.318 20 0 CAADHN O=C(CCC(=O)N1CCOC2(CNC2)C1)N1CCOCC1 ZINC000663490510 409622928 /nfs/dbraw/zinc/62/29/28/409622928.db2.gz BHTWCJOIXICATL-UHFFFAOYSA-N 0 3 297.355 -1.174 20 0 CAADHN C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000663653481 409623919 /nfs/dbraw/zinc/62/39/19/409623919.db2.gz GGRRLWHKMYEELL-HRDYMLBCSA-N 0 3 298.343 -1.780 20 0 CAADHN CNC(=O)CCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663769676 409624026 /nfs/dbraw/zinc/62/40/26/409624026.db2.gz GSMQCVYCHBIDHC-UWVGGRQHSA-N 0 3 272.349 -1.171 20 0 CAADHN CN1C[C@H](C(=O)N2CCOC3(CNC3)C2)NC1=O ZINC000664727465 409627835 /nfs/dbraw/zinc/62/78/35/409627835.db2.gz JSLFIIYCUSBWGL-MRVPVSSYSA-N 0 3 254.290 -1.789 20 0 CAADHN Cn1c(=O)cc(N2CCN3C[C@H](O)C[C@H]3C2)n(C)c1=O ZINC000664076394 409627964 /nfs/dbraw/zinc/62/79/64/409627964.db2.gz QTXHOWSKLWWMIU-VHSXEESVSA-N 0 3 280.328 -1.661 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCCc2nnnn2C)C[C@@H]1O ZINC000664572374 409628191 /nfs/dbraw/zinc/62/81/91/409628191.db2.gz SSPAVSHMMHEQPQ-IUCAKERBSA-N 0 3 283.336 -1.931 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCCCn2ccnn2)C[C@@H]1O ZINC000664640727 409629113 /nfs/dbraw/zinc/62/91/13/409629113.db2.gz RBTTUVIQXQSEOH-QWRGUYRKSA-N 0 3 282.348 -1.016 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCCN2C(=O)CNC2=O)C[C@@H]1O ZINC000664106273 409629495 /nfs/dbraw/zinc/62/94/95/409629495.db2.gz GOGATNLVWRMVFH-IUCAKERBSA-N 0 3 299.331 -2.146 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCCN2CCNC(=O)C2)C[C@@H]1O ZINC000664626705 409629640 /nfs/dbraw/zinc/62/96/40/409629640.db2.gz RUCIQBVCJGWODL-QWRGUYRKSA-N 0 3 299.375 -2.266 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)c1nccn2nnnc12 ZINC000664355530 409630033 /nfs/dbraw/zinc/63/00/33/409630033.db2.gz QQKBLKQMVFNWTB-UHFFFAOYSA-N 0 3 292.347 -1.025 20 0 CAADHN CN1C[C@@H](C(=O)N2CCOC3(CNC3)C2)CC1=O ZINC000664724845 409630141 /nfs/dbraw/zinc/63/01/41/409630141.db2.gz NBVVZMFIIQXEMW-VIFPVBQESA-N 0 3 253.302 -1.335 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC[C@H]2CCCC(=O)N2)C[C@@H]1O ZINC000664778443 409632010 /nfs/dbraw/zinc/63/20/10/409632010.db2.gz HTFXARQOOZJMAZ-VWYCJHECSA-N 0 3 284.360 -1.029 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)NCCNS(=O)(=O)N(C)C ZINC000665010707 409632061 /nfs/dbraw/zinc/63/20/61/409632061.db2.gz IZWIONXYYBXONU-VIFPVBQESA-N 0 3 295.409 -1.368 20 0 CAADHN CCN1C[C@H](NC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1=O ZINC000665029942 409632178 /nfs/dbraw/zinc/63/21/78/409632178.db2.gz FSAZBJFVHGITAL-VWYCJHECSA-N 0 3 284.360 -1.077 20 0 CAADHN C[C@@H](CNC(=O)NCCNS(=O)(=O)N(C)C)N(C)C ZINC000665008026 409632471 /nfs/dbraw/zinc/63/24/71/409632471.db2.gz GPLVZDLSJFXQRD-VIFPVBQESA-N 0 3 295.409 -1.368 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)NCCOCCS(N)(=O)=O ZINC000665106812 409635758 /nfs/dbraw/zinc/63/57/58/409635758.db2.gz RMVMZNGXAVFITE-VIFPVBQESA-N 0 3 296.393 -1.459 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N1CCCN(C)CC1 ZINC000665159761 409635852 /nfs/dbraw/zinc/63/58/52/409635852.db2.gz BJULSESHCAHCJS-UHFFFAOYSA-N 0 3 278.378 -1.454 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC[C@@]2(C)CCC(=O)N2)C[C@@H]1O ZINC000665077944 409636346 /nfs/dbraw/zinc/63/63/46/409636346.db2.gz KSKADSVLFLTELC-OUJBWJOFSA-N 0 3 284.360 -1.029 20 0 CAADHN CN(C)C(=O)Cn1ccc(NC(=O)COC2(C)CNC2)n1 ZINC000648053093 409636420 /nfs/dbraw/zinc/63/64/20/409636420.db2.gz JGQNFCGRNOJDIG-UHFFFAOYSA-N 0 3 295.343 -0.712 20 0 CAADHN CN(C)CCNC(=O)NCCOCCS(N)(=O)=O ZINC000665104704 409637224 /nfs/dbraw/zinc/63/72/24/409637224.db2.gz VRBGCMLGTLMAMZ-UHFFFAOYSA-N 0 3 282.366 -1.848 20 0 CAADHN CN(C)CCNC(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000354950947 409639427 /nfs/dbraw/zinc/63/94/27/409639427.db2.gz FMEKFERFUIGHPK-UHFFFAOYSA-N 0 3 283.336 -0.951 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000659727954 409570364 /nfs/dbraw/zinc/57/03/64/409570364.db2.gz MFAYWOVJEUUTJF-TUAOUCFPSA-N 0 3 297.355 -1.414 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC(N2CCNC2=O)C1 ZINC000660684266 409575556 /nfs/dbraw/zinc/57/55/56/409575556.db2.gz RWYLYBWVHFLVTP-LBPRGKRZSA-N 0 3 286.376 -1.365 20 0 CAADHN COCCN(C)CCNC(=O)N[C@H]1CCNC1=O ZINC000660583657 409575714 /nfs/dbraw/zinc/57/57/14/409575714.db2.gz DILPRGMUKOCHCC-VIFPVBQESA-N 0 3 258.322 -1.248 20 0 CAADHN C[C@H](O)CN(CCO)CCN1C(=O)CN(C)C1=O ZINC000660561797 409576205 /nfs/dbraw/zinc/57/62/05/409576205.db2.gz AWTYTZRROCQJDK-VIFPVBQESA-N 0 3 259.306 -1.445 20 0 CAADHN C[C@H]1CCNC(=O)[C@H]1NCCN1C(=O)CN(C)C1=O ZINC000660478052 409576301 /nfs/dbraw/zinc/57/63/01/409576301.db2.gz MBTXKYWYBPOVMM-WPRPVWTQSA-N 0 3 268.317 -1.005 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CC(N2CCNC2=O)C1 ZINC000660684208 409577103 /nfs/dbraw/zinc/57/71/03/409577103.db2.gz RWYLYBWVHFLVTP-GFCCVEGCSA-N 0 3 286.376 -1.365 20 0 CAADHN O[C@H]1COCCN(C/C=C/CN2CCOC[C@@H](O)C2)C1 ZINC000660668032 409577232 /nfs/dbraw/zinc/57/72/32/409577232.db2.gz BVHUNMXFYIXEMV-CZMZKRSCSA-N 0 3 286.372 -1.071 20 0 CAADHN CN(C)[C@H]1CN(CCN2C(=O)CN(C)C2=O)C[C@@H]1O ZINC000660589976 409577795 /nfs/dbraw/zinc/57/77/95/409577795.db2.gz LAKXAQXXXIGJOP-UWVGGRQHSA-N 0 3 270.333 -1.513 20 0 CAADHN O[C@H]1COCCN(C/C=C\CN2CCOC[C@@H](O)C2)C1 ZINC000660668040 409578453 /nfs/dbraw/zinc/57/84/53/409578453.db2.gz BVHUNMXFYIXEMV-YZRRVPADSA-N 0 3 286.372 -1.071 20 0 CAADHN O[C@@H]1COCCN(C/C=C/CN2CCOC[C@@H](O)C2)C1 ZINC000660668034 409578769 /nfs/dbraw/zinc/57/87/69/409578769.db2.gz BVHUNMXFYIXEMV-FAVCQXFFSA-N 0 3 286.372 -1.071 20 0 CAADHN CN(CCN1C(=O)CNC1=O)[C@H]1CCN2CCO[C@H]1C2 ZINC000660646923 409578922 /nfs/dbraw/zinc/57/89/22/409578922.db2.gz HRPRIRHMBTTXGK-QWRGUYRKSA-N 0 3 282.344 -1.057 20 0 CAADHN C[C@@H]1CCNC(=O)[C@H]1NCCN1C(=O)CN(C)C1=O ZINC000660478050 409579074 /nfs/dbraw/zinc/57/90/74/409579074.db2.gz MBTXKYWYBPOVMM-SCZZXKLOSA-N 0 3 268.317 -1.005 20 0 CAADHN COC[C@@H](NCC(=O)N1CCNC(=O)C1)C1CCOCC1 ZINC000661158513 409581885 /nfs/dbraw/zinc/58/18/85/409581885.db2.gz BJDNDSXYICLLHV-GFCCVEGCSA-N 0 3 299.371 -1.024 20 0 CAADHN CCN1OC[C@@H](N2CCN(CCN(C)C)C(=O)C2)C1=O ZINC000660912347 409582156 /nfs/dbraw/zinc/58/21/56/409582156.db2.gz HGSZPKCVXQSUPV-LLVKDONJSA-N 0 3 284.360 -1.146 20 0 CAADHN CO[C@@H]1COC[C@H]1NCCN1C(=O)CN(C)C1=O ZINC000660899527 409582500 /nfs/dbraw/zinc/58/25/00/409582500.db2.gz AKWLZUJPEXMLAK-RKDXNWHRSA-N 0 3 257.290 -1.116 20 0 CAADHN CO[C@@H]1COC[C@@H]1NCCN1C(=O)CN(C)C1=O ZINC000660779230 409582903 /nfs/dbraw/zinc/58/29/03/409582903.db2.gz AKWLZUJPEXMLAK-DTWKUNHWSA-N 0 3 257.290 -1.116 20 0 CAADHN CCNS(=O)(=O)[C@H]1CCN(C[C@@H]2CNCCO2)C1 ZINC000662280368 409584957 /nfs/dbraw/zinc/58/49/57/409584957.db2.gz ONYOFMHKKHFCBE-QWRGUYRKSA-N 0 3 277.390 -1.012 20 0 CAADHN CN(C)S(=O)(=O)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000662248557 409585123 /nfs/dbraw/zinc/58/51/23/409585123.db2.gz FVBKVZCQIVZARF-LLVKDONJSA-N 0 3 292.405 -1.601 20 0 CAADHN CS(=O)(=O)N1CCCN(C[C@H]2CNCCO2)CC1 ZINC000662248604 409586347 /nfs/dbraw/zinc/58/63/47/409586347.db2.gz HGDKYCILVJVZSJ-LLVKDONJSA-N 0 3 277.390 -1.058 20 0 CAADHN CN(CC(=O)N1CCNCC1)C[C@H]1CNCCO1 ZINC000662238412 409586622 /nfs/dbraw/zinc/58/66/22/409586622.db2.gz PLDDUAQLTXUSDK-LLVKDONJSA-N 0 3 256.350 -1.662 20 0 CAADHN CNS(=O)(=O)C[C@H]1CCCN1C[C@@H]1CNCCO1 ZINC000662259295 409586976 /nfs/dbraw/zinc/58/69/76/409586976.db2.gz UPWRHOFYBDTZDA-MNOVXSKESA-N 0 3 277.390 -1.012 20 0 CAADHN O=C(NC1CC1)C(=O)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000662253921 409587132 /nfs/dbraw/zinc/58/71/32/409587132.db2.gz YRBMMRYYQBXLFN-GFCCVEGCSA-N 0 3 296.371 -1.602 20 0 CAADHN CN(CCN1CCCS1(=O)=O)C[C@H]1CNCCO1 ZINC000662286601 409587188 /nfs/dbraw/zinc/58/71/88/409587188.db2.gz RMNZKFBVMYYTBG-LLVKDONJSA-N 0 3 277.390 -1.058 20 0 CAADHN CN(CC(=O)N1CCNCC1)C[C@@H]1CNCCO1 ZINC000662238417 409587224 /nfs/dbraw/zinc/58/72/24/409587224.db2.gz PLDDUAQLTXUSDK-NSHDSACASA-N 0 3 256.350 -1.662 20 0 CAADHN C[C@H]1CN(C[C@@H]2CNCCO2)CCN1S(C)(=O)=O ZINC000662281189 409587297 /nfs/dbraw/zinc/58/72/97/409587297.db2.gz VSOUMGXRTOMZFY-QWRGUYRKSA-N 0 3 277.390 -1.060 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN1C[C@H]1CNCCO1 ZINC000662259297 409587713 /nfs/dbraw/zinc/58/77/13/409587713.db2.gz UPWRHOFYBDTZDA-WDEREUQCSA-N 0 3 277.390 -1.012 20 0 CAADHN Cn1cnnc1N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662283652 409587741 /nfs/dbraw/zinc/58/77/41/409587741.db2.gz IJLGQCPJPWFWTK-NSHDSACASA-N 0 3 266.349 -1.075 20 0 CAADHN O=C(NC1CC1)C(=O)N1CCN(C[C@@H]2CNCCO2)CC1 ZINC000662253923 409587847 /nfs/dbraw/zinc/58/78/47/409587847.db2.gz YRBMMRYYQBXLFN-LBPRGKRZSA-N 0 3 296.371 -1.602 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCCN(C[C@H]2CNCCO2)C1 ZINC000662254814 409588154 /nfs/dbraw/zinc/58/81/54/409588154.db2.gz MMJDMTFQYOZTBK-GHMZBOCLSA-N 0 3 277.390 -1.012 20 0 CAADHN NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000662395045 409589172 /nfs/dbraw/zinc/58/91/72/409589172.db2.gz BARUFZUFAKMGEW-SNVBAGLBSA-N 0 3 290.389 -1.276 20 0 CAADHN O=C([C@@H]1CCCN(C(=O)C2(O)CNC2)C1)N1CCNCC1 ZINC000662401092 409589734 /nfs/dbraw/zinc/58/97/34/409589734.db2.gz JCCINZRLQXWCLI-LLVKDONJSA-N 0 3 296.371 -2.009 20 0 CAADHN C[C@@H](CN(CCN)C[C@@H](O)CO)CS(C)(=O)=O ZINC000662289791 409589946 /nfs/dbraw/zinc/58/99/46/409589946.db2.gz WBWOEQWZRTYDQA-VHSXEESVSA-N 0 3 268.379 -1.719 20 0 CAADHN CC[C@@H](NC)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000662341367 409590034 /nfs/dbraw/zinc/59/00/34/409590034.db2.gz POEZSCZCRAGHJQ-SNVBAGLBSA-N 0 3 256.350 -1.125 20 0 CAADHN CN(C)C(=O)NCCNC(=O)CN1CCNCC1 ZINC000132589515 409590422 /nfs/dbraw/zinc/59/04/22/409590422.db2.gz ZYUAJJZEGOAPLM-UHFFFAOYSA-N 0 3 257.338 -1.721 20 0 CAADHN N[C@@H]1CN(CC(=O)N2CCNC(=O)C2)CC[C@H]1F ZINC000662323644 409591070 /nfs/dbraw/zinc/59/10/70/409591070.db2.gz ZMYFAKUVWJJXEC-RKDXNWHRSA-N 0 3 258.297 -1.684 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)Nc1ccn(C)n1 ZINC000342044614 409642030 /nfs/dbraw/zinc/64/20/30/409642030.db2.gz NJAPNYHAHQLXGA-UHFFFAOYSA-N 0 3 253.306 -0.621 20 0 CAADHN CC[C@@H](NC)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC ZINC000662443337 409593625 /nfs/dbraw/zinc/59/36/25/409593625.db2.gz JUTNGLJQUPUJHR-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CNC(C)C ZINC000662443388 409593767 /nfs/dbraw/zinc/59/37/67/409593767.db2.gz KWSMZUQKQZTDLQ-SNVBAGLBSA-N 0 3 284.360 -1.162 20 0 CAADHN CN1CCN(C(=O)CN2CCN(C3CC3)C2=O)[C@H](CN)C1 ZINC000662430548 409594651 /nfs/dbraw/zinc/59/46/51/409594651.db2.gz ZUAFMTSYVYEVFV-GFCCVEGCSA-N 0 3 295.387 -1.012 20 0 CAADHN COC[C@@H](OC)C(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000662425410 409594731 /nfs/dbraw/zinc/59/47/31/409594731.db2.gz AQVPBPPNGUJRIH-MRVPVSSYSA-N 0 3 284.320 -1.186 20 0 CAADHN CN[C@@H](C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000662641567 409601066 /nfs/dbraw/zinc/60/10/66/409601066.db2.gz YYHIAVUHVCROQI-RNJXMRFFSA-N 0 3 250.320 -1.478 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C1(N)CCC1 ZINC000662638980 409601134 /nfs/dbraw/zinc/60/11/34/409601134.db2.gz FCIDWLKNHJNHSV-SFYZADRCSA-N 0 3 262.331 -1.204 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1(N)CCC1 ZINC000662638981 409601342 /nfs/dbraw/zinc/60/13/42/409601342.db2.gz FCIDWLKNHJNHSV-YUMQZZPRSA-N 0 3 262.331 -1.204 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(N)C(F)(F)F ZINC000662636748 409601605 /nfs/dbraw/zinc/60/16/05/409601605.db2.gz AKHURRWCJOWWJV-HSUXUTPPSA-N 0 3 290.263 -1.196 20 0 CAADHN CC[C@@H](N)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000662637349 409602106 /nfs/dbraw/zinc/60/21/06/409602106.db2.gz DIJZVTYVUHDITP-BWZBUEFSSA-N 0 3 250.320 -1.348 20 0 CAADHN C[C@H]1CN(CCCNC(=O)C2(O)CNC2)C[C@H](C)O1 ZINC000662671140 409602185 /nfs/dbraw/zinc/60/21/85/409602185.db2.gz MISITBZOWBOKPB-QWRGUYRKSA-N 0 3 271.361 -1.064 20 0 CAADHN CC[C@H](NC)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000662640864 409602248 /nfs/dbraw/zinc/60/22/48/409602248.db2.gz SDWGOTXHRZYWOE-CIUDSAMLSA-N 0 3 264.347 -1.087 20 0 CAADHN CC[C@H](NC)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000662640865 409602557 /nfs/dbraw/zinc/60/25/57/409602557.db2.gz SDWGOTXHRZYWOE-DJLDLDEBSA-N 0 3 264.347 -1.087 20 0 CAADHN COCCNCCNC(=O)C1(n2cnnn2)CC1 ZINC000662764568 409607314 /nfs/dbraw/zinc/60/73/14/409607314.db2.gz RBUVUBWMKXQEQQ-UHFFFAOYSA-N 0 3 254.294 -1.486 20 0 CAADHN CCN1CCN(C[C@@H](C)CNC(=O)C2(O)CNC2)CC1 ZINC000662757758 409607384 /nfs/dbraw/zinc/60/73/84/409607384.db2.gz MWHYQCWZXCRJCH-LBPRGKRZSA-N 0 3 284.404 -1.290 20 0 CAADHN CCN1CCN(C[C@H](C)CNC(=O)C2(O)CNC2)CC1 ZINC000662757757 409607590 /nfs/dbraw/zinc/60/75/90/409607590.db2.gz MWHYQCWZXCRJCH-GFCCVEGCSA-N 0 3 284.404 -1.290 20 0 CAADHN CCN1CCN([C@@H](C)CNC(=O)C2(O)CNC2)CC1 ZINC000662758268 409607649 /nfs/dbraw/zinc/60/76/49/409607649.db2.gz PQWXJZKZLOFFSQ-NSHDSACASA-N 0 3 270.377 -1.537 20 0 CAADHN CCN1CCN(CCNC(=O)C2(O)CNC2)CC1 ZINC000662759917 409607678 /nfs/dbraw/zinc/60/76/78/409607678.db2.gz ZSVVWILQKHZBAW-UHFFFAOYSA-N 0 3 256.350 -1.926 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)c1ccn2nnnc2c1 ZINC000662817088 409610862 /nfs/dbraw/zinc/61/08/62/409610862.db2.gz ZZBGRLISZDWSKT-VIFPVBQESA-N 0 3 262.273 -1.158 20 0 CAADHN COCC(C)(C)N1CCN(C(=O)C2(O)CNC2)CC1 ZINC000662818892 409611322 /nfs/dbraw/zinc/61/13/22/409611322.db2.gz FBIUPUXOTHDKKJ-UHFFFAOYSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CC(=O)N(CC(=O)N2CC[C@@H](F)[C@H](N)C2)C1=O ZINC000662944382 409614854 /nfs/dbraw/zinc/61/48/54/409614854.db2.gz MKIFWAQVECWFES-HTQZYQBOSA-N 0 3 272.280 -1.222 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000662959112 409615068 /nfs/dbraw/zinc/61/50/68/409615068.db2.gz FKMPMAGPLHYBMY-NXEZZACHSA-N 0 3 255.318 -1.102 20 0 CAADHN CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000662946132 409615132 /nfs/dbraw/zinc/61/51/32/409615132.db2.gz ALSSTCAGPYGOJF-LLVKDONJSA-N 0 3 294.359 -1.531 20 0 CAADHN CN(Cc1cnc[nH]1)C(=O)C(=O)N1CCNCC1 ZINC000662948248 409615161 /nfs/dbraw/zinc/61/51/61/409615161.db2.gz UWBNAPKFACPXCD-UHFFFAOYSA-N 0 3 251.290 -1.200 20 0 CAADHN CN(Cc1c[nH]cn1)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000662946134 409615215 /nfs/dbraw/zinc/61/52/15/409615215.db2.gz ALSSTCAGPYGOJF-NSHDSACASA-N 0 3 294.359 -1.531 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000662959118 409615230 /nfs/dbraw/zinc/61/52/30/409615230.db2.gz FKMPMAGPLHYBMY-ZJUUUORDSA-N 0 3 255.318 -1.102 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662944365 409615323 /nfs/dbraw/zinc/61/53/23/409615323.db2.gz MBLBGAAEPZLSMV-RNFRBKRXSA-N 0 3 253.299 -1.567 20 0 CAADHN CN(C[C@@H]1COCCO1)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662974530 409615428 /nfs/dbraw/zinc/61/54/28/409615428.db2.gz LAGLWVZBWVYKRV-IQLKVPPVSA-N 0 3 297.355 -1.190 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2CCNC(=O)C2)[C@H](CN)C1 ZINC000662986278 409615740 /nfs/dbraw/zinc/61/57/40/409615740.db2.gz KPSBXZXXVNYRGG-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)CCO1 ZINC000662946289 409615760 /nfs/dbraw/zinc/61/57/60/409615760.db2.gz QLPZODJSZLXOPV-OZAVNUTGSA-N 0 3 297.355 -1.456 20 0 CAADHN COc1cncc(NC(=O)C(=O)N(C)CCN(C)C)n1 ZINC000651649617 409712160 /nfs/dbraw/zinc/71/21/60/409712160.db2.gz OQZAAFVZLRSZAA-UHFFFAOYSA-N 0 3 281.316 -0.556 20 0 CAADHN CCN(C)CCNC(=O)C(=O)Nc1cncc(OC)n1 ZINC000651575266 409693140 /nfs/dbraw/zinc/69/31/40/409693140.db2.gz WQCSMGJXGCTQGT-UHFFFAOYSA-N 0 3 281.316 -0.508 20 0 CAADHN CCOCCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448508919 409705436 /nfs/dbraw/zinc/70/54/36/409705436.db2.gz YLWSEAHPKOTSNS-UHFFFAOYSA-N 0 3 297.359 -0.464 20 0 CAADHN CN(C)CCN1CCN(CC(=O)Nc2ccon2)CC1=O ZINC000649688678 409642897 /nfs/dbraw/zinc/64/28/97/409642897.db2.gz KPYKTDOUQYIANA-UHFFFAOYSA-N 0 3 295.343 -0.681 20 0 CAADHN CN(C)CCn1ccc(NC(=O)N(C)C[C@@H](O)CO)n1 ZINC000361820122 409644996 /nfs/dbraw/zinc/64/49/96/409644996.db2.gz WSTVGGVWJWHFFP-SNVBAGLBSA-N 0 3 285.348 -0.738 20 0 CAADHN CN(C)CCn1ccc(NC(=O)N[C@@H]2COC[C@@H]2O)n1 ZINC000639722996 409645096 /nfs/dbraw/zinc/64/50/96/409645096.db2.gz UMFOOJYGGUNVBE-ZJUUUORDSA-N 0 3 283.332 -0.674 20 0 CAADHN CN(C)CCn1ccc(NC(=O)NC[C@H](O)CO)n1 ZINC000342437323 409646222 /nfs/dbraw/zinc/64/62/22/409646222.db2.gz BEOPCKQVKBPHNS-VIFPVBQESA-N 0 3 271.321 -1.081 20 0 CAADHN CN(C)CCn1ccc(NC(=O)Cn2cnnn2)n1 ZINC000338647833 409646307 /nfs/dbraw/zinc/64/63/07/409646307.db2.gz HMHRXVMWLDGTFO-UHFFFAOYSA-N 0 3 264.293 -0.930 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCCN2CCCC2=O)C[C@@H]1O ZINC000665227920 409647794 /nfs/dbraw/zinc/64/77/94/409647794.db2.gz DKQVZOONDLBECQ-QWRGUYRKSA-N 0 3 284.360 -1.075 20 0 CAADHN C[C@H](NC(=O)Nc1ccn(CCN(C)C)n1)C(N)=O ZINC000436986052 409654010 /nfs/dbraw/zinc/65/40/10/409654010.db2.gz IZIUDECAUNYINV-QMMMGPOBSA-N 0 3 268.321 -0.560 20 0 CAADHN CNC(=O)CNC(=O)Nc1ccn(CCN(C)C)n1 ZINC000438694252 409656018 /nfs/dbraw/zinc/65/60/18/409656018.db2.gz CLIHFHLVATWREV-UHFFFAOYSA-N 0 3 268.321 -0.688 20 0 CAADHN COc1cncc(NC(=O)C(=O)NCCN(C)C)n1 ZINC000578018650 409711029 /nfs/dbraw/zinc/71/10/29/409711029.db2.gz WIMIZJIWYBQYMZ-UHFFFAOYSA-N 0 3 267.289 -0.899 20 0 CAADHN CN[C@@H](C)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000568236479 409665387 /nfs/dbraw/zinc/66/53/87/409665387.db2.gz LZHRMFPGXXQKES-JTQLQIEISA-N 0 3 295.343 -0.712 20 0 CAADHN Cn1cc(CCC(=O)NCCNCC(N)=O)cn1 ZINC001152230799 782012928 /nfs/dbraw/zinc/01/29/28/782012928.db2.gz LJLPKJVLVPZMQM-UHFFFAOYSA-N 0 3 253.306 -1.456 20 0 CAADHN Nc1cccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)n1 ZINC000579830724 409666829 /nfs/dbraw/zinc/66/68/29/409666829.db2.gz MSPBKWWJLVYDEI-UHFFFAOYSA-N 0 3 288.315 -0.556 20 0 CAADHN Nc1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)nc1 ZINC000576634695 409668658 /nfs/dbraw/zinc/66/86/58/409668658.db2.gz CBAJLOIWJXMIAA-UHFFFAOYSA-N 0 3 288.315 -0.556 20 0 CAADHN CNc1nnc(CC(=O)NC[C@@](C)(O)CN(C)C)s1 ZINC000353883939 409671103 /nfs/dbraw/zinc/67/11/03/409671103.db2.gz RPNQSJBEDBWSRG-LLVKDONJSA-N 0 3 287.389 -0.449 20 0 CAADHN O=C(CN1CCNCC1)NCCNc1cnccn1 ZINC000638066515 409672576 /nfs/dbraw/zinc/67/25/76/409672576.db2.gz IPDGWWLTLGJQBZ-UHFFFAOYSA-N 0 3 264.333 -1.090 20 0 CAADHN CNc1nc(C)cc(C(=O)NC[C@H]2CNCCO2)n1 ZINC000423993118 409673708 /nfs/dbraw/zinc/67/37/08/409673708.db2.gz PZECNPRQYHTTAM-SECBINFHSA-N 0 3 265.317 -0.455 20 0 CAADHN Cc1cc(NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)no1 ZINC000647873471 409675410 /nfs/dbraw/zinc/67/54/10/409675410.db2.gz NOLOEOQQBJHZJM-VIFPVBQESA-N 0 3 281.316 -0.977 20 0 CAADHN Cc1cc(NC(=O)C(=O)N2CCN(C)C[C@H]2CN)no1 ZINC000647873470 409675930 /nfs/dbraw/zinc/67/59/30/409675930.db2.gz NOLOEOQQBJHZJM-SECBINFHSA-N 0 3 281.316 -0.977 20 0 CAADHN COC(=O)Cn1ccc(NC(=O)C[C@@H]2CNCCO2)n1 ZINC000429947979 409676242 /nfs/dbraw/zinc/67/62/42/409676242.db2.gz MACIFLCSCYYTDA-SECBINFHSA-N 0 3 282.300 -0.627 20 0 CAADHN COC(=O)Cn1ccc(NC(=O)C[C@H]2CNCCO2)n1 ZINC000429947982 409676867 /nfs/dbraw/zinc/67/68/67/409676867.db2.gz MACIFLCSCYYTDA-VIFPVBQESA-N 0 3 282.300 -0.627 20 0 CAADHN COC(=O)C[C@H](N)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000563198333 409677545 /nfs/dbraw/zinc/67/75/45/409677545.db2.gz RCWBZWVPMMSHLX-VIFPVBQESA-N 0 3 283.332 -0.726 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1CC(=O)Nc1ccon1 ZINC000592487575 409681236 /nfs/dbraw/zinc/68/12/36/409681236.db2.gz DQDYHOMPWQNGTH-VIFPVBQESA-N 0 3 282.300 -0.550 20 0 CAADHN CN1C[C@@H](C(=O)NCCCN2CCN(C)CC2)NC1=O ZINC000665490025 409681435 /nfs/dbraw/zinc/68/14/35/409681435.db2.gz MJOYKINCHWWGBE-NSHDSACASA-N 0 3 283.376 -1.236 20 0 CAADHN O=C(NCCO)c1ccc(NCCN2CC[C@H](O)C2)nn1 ZINC000624774954 409681739 /nfs/dbraw/zinc/68/17/39/409681739.db2.gz UJXHINYBRXWUCL-JTQLQIEISA-N 0 3 295.343 -1.323 20 0 CAADHN Cc1cc(NC(=O)CCNCCN2C(=O)CNC2=O)no1 ZINC000572356567 409685025 /nfs/dbraw/zinc/68/50/25/409685025.db2.gz NSRZRNKDIFJERC-UHFFFAOYSA-N 0 3 295.299 -0.547 20 0 CAADHN Cc1cc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)no1 ZINC000566495145 409685144 /nfs/dbraw/zinc/68/51/44/409685144.db2.gz DCMPGVYWJWQIGH-NXEZZACHSA-N 0 3 293.327 -0.835 20 0 CAADHN CN(C)CCN1CCN(C(=O)C2(n3cnnn3)CC2)CC1 ZINC000665529841 409686407 /nfs/dbraw/zinc/68/64/07/409686407.db2.gz VXZHDRQWGGZKIT-UHFFFAOYSA-N 0 3 293.375 -1.132 20 0 CAADHN COCCn1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)n1 ZINC000444510097 409689436 /nfs/dbraw/zinc/68/94/36/409689436.db2.gz ZTVXGMGUGSXHOB-JTQLQIEISA-N 0 3 297.359 -0.466 20 0 CAADHN COCCN(C)CCCNC(=O)C(=O)Nc1ccn(C)n1 ZINC000347674162 409690436 /nfs/dbraw/zinc/69/04/36/409690436.db2.gz WOVJTDZKLYJSRZ-UHFFFAOYSA-N 0 3 297.359 -0.557 20 0 CAADHN COCCN(C)CCNc1cc(C(N)=O)ncn1 ZINC000641335102 409691997 /nfs/dbraw/zinc/69/19/97/409691997.db2.gz PRHOIPQYJOOTDG-UHFFFAOYSA-N 0 3 253.306 -0.434 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccn(C)n1 ZINC000442165541 409692155 /nfs/dbraw/zinc/69/21/55/409692155.db2.gz YEKOWUHAAXSPLP-UHFFFAOYSA-N 0 3 297.359 -0.557 20 0 CAADHN C[C@@H](CNc1ccc(C(=O)NCCO)nn1)N(C)C ZINC000443449347 409721073 /nfs/dbraw/zinc/72/10/73/409721073.db2.gz VMLFYAPJMXCAGQ-VIFPVBQESA-N 0 3 267.333 -0.439 20 0 CAADHN CN(C)c1nc(N)nc(C(=O)NC[C@@]2(O)CCN(C)C2)n1 ZINC000565783183 409728810 /nfs/dbraw/zinc/72/88/10/409728810.db2.gz VAAZTNPGHXHNHB-LBPRGKRZSA-N 0 3 295.347 -1.684 20 0 CAADHN COCC[NH2+]CC[N-]S(=O)(=O)c1c(N)noc1C ZINC000420444616 409730633 /nfs/dbraw/zinc/73/06/33/409730633.db2.gz ZPAXRYMJUZVCFE-UHFFFAOYSA-N 0 3 278.334 -0.920 20 0 CAADHN COCCCN(C)CCNC(=O)Cn1cnc(N)n1 ZINC000631506473 409731019 /nfs/dbraw/zinc/73/10/19/409731019.db2.gz RPPNEGWXMNVWAC-UHFFFAOYSA-N 0 3 270.337 -1.055 20 0 CAADHN COCc1ncc(C(=O)NC[C@H]2CNCCO2)c(N)n1 ZINC000574754721 409734070 /nfs/dbraw/zinc/73/40/70/409734070.db2.gz LHTBHRYGFOUAHJ-MRVPVSSYSA-N 0 3 281.316 -1.077 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(c2nc(N)ns2)CC1 ZINC000353464832 409741943 /nfs/dbraw/zinc/74/19/43/409741943.db2.gz YVURHAVCLRNXGD-ZETCQYMHSA-N 0 3 286.361 -1.257 20 0 CAADHN Nc1nc(=NCCCN2CC[NH2+]CC2)nc2[nH][n-]cc1-2 ZINC000420113375 409744058 /nfs/dbraw/zinc/74/40/58/409744058.db2.gz IIMQIWVMANKEIQ-UHFFFAOYSA-N 0 3 276.348 -0.984 20 0 CAADHN Cc1ncc(C(=O)NC[C@]2(O)CCN(C)C2)c(N)n1 ZINC000545861955 409751009 /nfs/dbraw/zinc/75/10/09/409751009.db2.gz HDUARKPLNZQCQI-GFCCVEGCSA-N 0 3 265.317 -0.836 20 0 CAADHN Cc1nccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)n1 ZINC000646802163 409716043 /nfs/dbraw/zinc/71/60/43/409716043.db2.gz VFDGMIUDYXCQLM-UHFFFAOYSA-N 0 3 288.315 -0.435 20 0 CAADHN C[C@@H](O)CN(CCO)C[C@@H](O)CN1CCOCC1 ZINC000336793460 287083803 /nfs/dbraw/zinc/08/38/03/287083803.db2.gz WUJTYYCFHYOZOJ-NEPJUHHUSA-N 0 3 262.350 -1.645 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001195783375 782017645 /nfs/dbraw/zinc/01/76/45/782017645.db2.gz KNKWWLLHUGHSLB-NXEZZACHSA-N 0 3 285.344 -1.550 20 0 CAADHN CNC(=O)CN1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000019687722 170841145 /nfs/dbraw/zinc/84/11/45/170841145.db2.gz BBFCLDLPWOIRRC-NSHDSACASA-N 0 3 256.350 -1.140 20 0 CAADHN CN(C)CCNc1nc2c([nH]1)n(C)c(=O)n(C)c2=O ZINC000021812489 171329707 /nfs/dbraw/zinc/32/97/07/171329707.db2.gz YHAPHZDAOCFQHE-UHFFFAOYSA-N 0 3 266.305 -1.066 20 0 CAADHN CNCC(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000037819989 173772121 /nfs/dbraw/zinc/77/21/21/173772121.db2.gz PMILXJPBJPZGSJ-SECBINFHSA-N 0 3 263.363 -1.006 20 0 CAADHN CN(CCC(=O)N(C)C)CC(=O)N1CCNCC1 ZINC000038031614 174025921 /nfs/dbraw/zinc/02/59/21/174025921.db2.gz DIBYFAMVLBUNQN-UHFFFAOYSA-N 0 3 256.350 -1.172 20 0 CAADHN Cn1cc(CNC[C@@H]2COCCO2)c(=O)n(C)c1=O ZINC000038060604 174071873 /nfs/dbraw/zinc/07/18/73/174071873.db2.gz VCUUQWLBLIINCT-SNVBAGLBSA-N 0 3 269.301 -1.411 20 0 CAADHN O=S(=O)(NC[C@H]1COCCO1)N1CCNCC1 ZINC000038063166 174074749 /nfs/dbraw/zinc/07/47/49/174074749.db2.gz URMACIDXCLSMJL-VIFPVBQESA-N 0 3 265.335 -1.859 20 0 CAADHN CCC[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101536 174117155 /nfs/dbraw/zinc/11/71/55/174117155.db2.gz SAJWBXSFYSLUFP-QMMMGPOBSA-N 0 3 264.351 -1.539 20 0 CAADHN NS(=O)(=O)N1CCN(C(=O)CNC2CC2)CC1 ZINC000038101540 174117276 /nfs/dbraw/zinc/11/72/76/174117276.db2.gz BLWNXLIEFSFLHP-UHFFFAOYSA-N 0 3 262.335 -1.914 20 0 CAADHN CC[C@@H](C)[C@@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101505 174117316 /nfs/dbraw/zinc/11/73/16/174117316.db2.gz GBFMPNSIXKAZKF-RKDXNWHRSA-N 0 3 278.378 -1.293 20 0 CAADHN CC[C@@H](C)[C@H](N)C(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000038101503 174117343 /nfs/dbraw/zinc/11/73/43/174117343.db2.gz GBFMPNSIXKAZKF-BDAKNGLRSA-N 0 3 278.378 -1.293 20 0 CAADHN CCN1CCN([C@H](C)CNC(=O)Cn2cnnn2)CC1 ZINC000044941501 175282154 /nfs/dbraw/zinc/28/21/54/175282154.db2.gz IAQFLODILMRJBH-LLVKDONJSA-N 0 3 281.364 -1.185 20 0 CAADHN CCN1CCN([C@@H](C)CNC(=O)Cn2cnnn2)CC1 ZINC000044941497 175282281 /nfs/dbraw/zinc/28/22/81/175282281.db2.gz IAQFLODILMRJBH-NSHDSACASA-N 0 3 281.364 -1.185 20 0 CAADHN C[C@@H]1CCCN(C(=O)C(=O)N2CCNC(=O)C2)[C@@H]1CN ZINC000423732610 287323197 /nfs/dbraw/zinc/32/31/97/287323197.db2.gz MTPWNKGJOQSXGX-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCC(=O)NC2CC2)CC1=O ZINC000344301895 225021919 /nfs/dbraw/zinc/02/19/19/225021919.db2.gz ZCIZGKRZIDVUAP-SNVBAGLBSA-N 0 3 296.371 -1.209 20 0 CAADHN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1CN2CCN1CCC2 ZINC000344253846 225006496 /nfs/dbraw/zinc/00/64/96/225006496.db2.gz GURLONAEGYXNTO-UWVGGRQHSA-N 0 3 280.328 -1.702 20 0 CAADHN O=C(N[C@@H]1CCC(=O)NC1=O)[C@H]1CN2CCN1CCC2 ZINC000344253844 225007391 /nfs/dbraw/zinc/00/73/91/225007391.db2.gz GURLONAEGYXNTO-NXEZZACHSA-N 0 3 280.328 -1.702 20 0 CAADHN O=C(N[C@H]1CCC(=O)NC1=O)[C@H]1CN2CCN1CCC2 ZINC000344253847 225007470 /nfs/dbraw/zinc/00/74/70/225007470.db2.gz GURLONAEGYXNTO-VHSXEESVSA-N 0 3 280.328 -1.702 20 0 CAADHN O=C(N[C@@H]1CCC(=O)NC1=O)[C@@H]1CN2CCN1CCC2 ZINC000344253849 225007778 /nfs/dbraw/zinc/00/77/78/225007778.db2.gz GURLONAEGYXNTO-ZJUUUORDSA-N 0 3 280.328 -1.702 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCCCC(N)=O)CC1=O ZINC000344539755 225082605 /nfs/dbraw/zinc/08/26/05/225082605.db2.gz JHKDEIXOURZQBU-JTQLQIEISA-N 0 3 284.360 -1.222 20 0 CAADHN COCCCN(C)CCNC(=O)CS(=O)(=O)N(C)C ZINC000344919386 225219528 /nfs/dbraw/zinc/21/95/28/225219528.db2.gz ZVWSZRIAOJWVKP-UHFFFAOYSA-N 0 3 295.405 -1.038 20 0 CAADHN C[C@H](NC(=O)CN1CCN[C@H](C)C1)C(=O)N(C)C ZINC000430919970 299053796 /nfs/dbraw/zinc/05/37/96/299053796.db2.gz SMNNSWHBIKLDGY-ZJUUUORDSA-N 0 3 256.350 -1.127 20 0 CAADHN C[C@H](CO)N1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000347134198 226039725 /nfs/dbraw/zinc/03/97/25/226039725.db2.gz OGJZGZDCQLTDLU-LLVKDONJSA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@H](CO)N1CCCN(C(=O)Cn2cnnn2)CC1 ZINC000347230508 226072894 /nfs/dbraw/zinc/07/28/94/226072894.db2.gz NFLTYZBTQKZMLY-SNVBAGLBSA-N 0 3 268.321 -1.412 20 0 CAADHN CN(C)[C@]1(CNC(=O)CNC(=O)CN)CCSC1 ZINC000347606574 226198707 /nfs/dbraw/zinc/19/87/07/226198707.db2.gz ALHIDWYLHIBZML-NSHDSACASA-N 0 3 274.390 -1.385 20 0 CAADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)CNC(=O)CN ZINC000347701063 226239368 /nfs/dbraw/zinc/23/93/68/226239368.db2.gz TVCSAKVSKALBTK-WPRPVWTQSA-N 0 3 254.334 -1.340 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000347963627 226389606 /nfs/dbraw/zinc/38/96/06/226389606.db2.gz JUHBXQUTULKQIT-GFCCVEGCSA-N 0 3 299.419 -1.632 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC[C@H]1CN(C)CCN1C ZINC000347963628 226389709 /nfs/dbraw/zinc/38/97/09/226389709.db2.gz JUHBXQUTULKQIT-LBPRGKRZSA-N 0 3 299.419 -1.632 20 0 CAADHN CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(C)C2=O)C1 ZINC000354054724 226880899 /nfs/dbraw/zinc/88/08/99/226880899.db2.gz VBVYWQWDSNZMLT-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN COC[C@H](C(N)=O)N(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000354569061 227036281 /nfs/dbraw/zinc/03/62/81/227036281.db2.gz JWUSOVSYJXZDLW-GHMZBOCLSA-N 0 3 284.360 -1.665 20 0 CAADHN CN(C)CCOCCNC(=O)Cn1ncn(C)c1=O ZINC000352647420 227135943 /nfs/dbraw/zinc/13/59/43/227135943.db2.gz YQULMVXZNJXFTB-UHFFFAOYSA-N 0 3 271.321 -1.724 20 0 CAADHN O=C(CO)N1CCN(CCN2CCCOCC2)CC1 ZINC000354912418 227226298 /nfs/dbraw/zinc/22/62/98/227226298.db2.gz OIHJVVPRLNCMAH-UHFFFAOYSA-N 0 3 271.361 -1.155 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@H](CO)CN1CCCCC1 ZINC000352851258 227329558 /nfs/dbraw/zinc/32/95/58/227329558.db2.gz ASSSGKDWGNCFJL-UWVGGRQHSA-N 0 3 298.343 -1.453 20 0 CAADHN CN(C)CCOCCNC(=O)N=c1nc[nH]n1C ZINC000352851735 227329719 /nfs/dbraw/zinc/32/97/19/227329719.db2.gz PHXULJHKAQEOCP-UHFFFAOYSA-N 0 3 256.310 -1.063 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@]2(O)CCN(C)C2)O1 ZINC000355813556 228005888 /nfs/dbraw/zinc/00/58/88/228005888.db2.gz YQVWGTFZVPQNAS-OUJBWJOFSA-N 0 3 286.328 -1.110 20 0 CAADHN CO[C@@H](CN)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000353426898 228100679 /nfs/dbraw/zinc/10/06/79/228100679.db2.gz KLKMZDZIAGOJPV-JTQLQIEISA-N 0 3 293.327 -1.070 20 0 CAADHN CO[C@@H](CN)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000353429950 228100764 /nfs/dbraw/zinc/10/07/64/228100764.db2.gz VHJDLFLTNXPXTP-JTQLQIEISA-N 0 3 272.349 -1.760 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000353425720 228100783 /nfs/dbraw/zinc/10/07/83/228100783.db2.gz HPAFKQZIWLUWKS-SECBINFHSA-N 0 3 272.349 -1.632 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC(C)(O)C2)CC1=O ZINC000331444168 228103033 /nfs/dbraw/zinc/10/30/33/228103033.db2.gz DDHOJGCYLOBZTD-JTQLQIEISA-N 0 3 269.345 -1.010 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000353446481 228103778 /nfs/dbraw/zinc/10/37/78/228103778.db2.gz JRKWFZYJUMQBAA-NSHDSACASA-N 0 3 286.376 -1.371 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000353446480 228104039 /nfs/dbraw/zinc/10/40/39/228104039.db2.gz JRKWFZYJUMQBAA-LLVKDONJSA-N 0 3 286.376 -1.371 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(Cc2nc(C)no2)CC1 ZINC000353467512 228106463 /nfs/dbraw/zinc/10/64/63/228106463.db2.gz LRBWORLGJDSAIN-JTQLQIEISA-N 0 3 283.332 -1.004 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(Cc2noc(C)n2)CC1 ZINC000353471566 228107468 /nfs/dbraw/zinc/10/74/68/228107468.db2.gz SBWSERILHRTAHU-SNVBAGLBSA-N 0 3 283.332 -1.004 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(Cc2noc(C)n2)CC1 ZINC000353471565 228107740 /nfs/dbraw/zinc/10/77/40/228107740.db2.gz SBWSERILHRTAHU-JTQLQIEISA-N 0 3 283.332 -1.004 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC(O)C2)CC1=O ZINC000331545483 228110270 /nfs/dbraw/zinc/11/02/70/228110270.db2.gz OWLVQMOOZLXXAP-VIFPVBQESA-N 0 3 255.318 -1.400 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000353509940 228112155 /nfs/dbraw/zinc/11/21/55/228112155.db2.gz IFSLFZCODPBTJM-NSHDSACASA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@H](O)CN1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000330315503 228138147 /nfs/dbraw/zinc/13/81/47/228138147.db2.gz PRJUXVPGYMOHAN-UONOGXRCSA-N 0 3 296.415 -1.099 20 0 CAADHN COCCN(C)CCNC(=O)N[C@@H](CO)COC ZINC000353736578 228148937 /nfs/dbraw/zinc/14/89/37/228148937.db2.gz KZGJNEQYYPGSEM-JTQLQIEISA-N 0 3 263.338 -1.129 20 0 CAADHN O=C(NC[C@H]1COCCO1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332173176 228151052 /nfs/dbraw/zinc/15/10/52/228151052.db2.gz SOGJBTYOVULLGJ-RYUDHWBXSA-N 0 3 297.355 -1.175 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CN(C)S(C)(=O)=O ZINC000332510545 228162566 /nfs/dbraw/zinc/16/25/66/228162566.db2.gz MDHVHUPMDXOTBS-JTQLQIEISA-N 0 3 281.378 -1.693 20 0 CAADHN O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCNC(=O)C1 ZINC000332596396 228163715 /nfs/dbraw/zinc/16/37/15/228163715.db2.gz BRVWZMJKVPUWGL-SNVBAGLBSA-N 0 3 280.328 -1.749 20 0 CAADHN Cc1cc(CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)ncn1 ZINC001196092230 782027422 /nfs/dbraw/zinc/02/74/22/782027422.db2.gz GCRVJILXLINCHV-NXEZZACHSA-N 0 3 263.301 -1.196 20 0 CAADHN COCCNCC(=O)N1CCN(C(=O)COC)CC1 ZINC000092495904 230165978 /nfs/dbraw/zinc/16/59/78/230165978.db2.gz HAIRFNHTYQXIKV-UHFFFAOYSA-N 0 3 273.333 -1.460 20 0 CAADHN NS(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103162618 230168710 /nfs/dbraw/zinc/16/87/10/230168710.db2.gz QKOMGNNJGHCDIH-UHFFFAOYSA-N 0 3 276.362 -1.570 20 0 CAADHN CN(C)C[C@@H]1CN(CCN2C(=O)CNC2=O)CCO1 ZINC000105924184 230168726 /nfs/dbraw/zinc/16/87/26/230168726.db2.gz MFZRDVBUAOPPFJ-SNVBAGLBSA-N 0 3 270.333 -1.199 20 0 CAADHN OCCCN(CCO)C[C@@H](O)CN1CCOCC1 ZINC000118003796 230172467 /nfs/dbraw/zinc/17/24/67/230172467.db2.gz VQCYEVIDOGULBL-GFCCVEGCSA-N 0 3 262.350 -1.644 20 0 CAADHN NC(=O)[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1C(N)=O ZINC001196095607 782027096 /nfs/dbraw/zinc/02/70/96/782027096.db2.gz YPDHATLGEQBQNN-RKDXNWHRSA-N 0 3 268.317 -1.969 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000172752473 230189362 /nfs/dbraw/zinc/18/93/62/230189362.db2.gz AFFTYCLKMMXDRI-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NCCN(C)C ZINC000176665905 230193127 /nfs/dbraw/zinc/19/31/27/230193127.db2.gz ONIMMKZFXQXFCB-UHFFFAOYSA-N 0 3 251.352 -1.054 20 0 CAADHN COC[C@H](NCC(=O)N1CCNC(=O)C1)C1CC1 ZINC000181574632 230197990 /nfs/dbraw/zinc/19/79/90/230197990.db2.gz HZKOKAMNJCVKGG-JTQLQIEISA-N 0 3 255.318 -1.041 20 0 CAADHN C[C@H](N)C(=O)N1CCC[C@H](N2CCNCC2=O)C1 ZINC000186665646 230200529 /nfs/dbraw/zinc/20/05/29/230200529.db2.gz QPZNUWWBYPPFNI-UWVGGRQHSA-N 0 3 254.334 -1.244 20 0 CAADHN NCC(=O)NCC(=O)NCCN1CCSCC1 ZINC000221318175 230209860 /nfs/dbraw/zinc/20/98/60/230209860.db2.gz PUBVHPAPZVRDGI-UHFFFAOYSA-N 0 3 260.363 -1.774 20 0 CAADHN C[C@H](N)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000195176167 230210989 /nfs/dbraw/zinc/21/09/89/230210989.db2.gz FHPPWLLPSPUWEB-JTQLQIEISA-N 0 3 282.344 -1.373 20 0 CAADHN Cn1ccnc1[C@@H]1CNCCN1CCNS(C)(=O)=O ZINC000261665529 230221231 /nfs/dbraw/zinc/22/12/31/230221231.db2.gz BIKWPLHHEIQCAF-JTQLQIEISA-N 0 3 287.389 -1.084 20 0 CAADHN NC(=O)C[C@@H](N)C(=O)N1CCN(C2CCC2)CC1 ZINC000261893431 230222027 /nfs/dbraw/zinc/22/20/27/230222027.db2.gz ALLCCROMDBSBDR-SNVBAGLBSA-N 0 3 254.334 -1.114 20 0 CAADHN NCC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000262532761 230229471 /nfs/dbraw/zinc/22/94/71/230229471.db2.gz OHPPNODUZCLHGB-UHFFFAOYSA-N 0 3 267.376 -1.560 20 0 CAADHN NC1(C(=O)N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000262696639 230230910 /nfs/dbraw/zinc/23/09/10/230230910.db2.gz DYYJLHKEWZMAAF-LLVKDONJSA-N 0 3 296.371 -1.473 20 0 CAADHN CCS(=O)(=O)NCCCNC(=O)CNCCOC ZINC000262629995 230231528 /nfs/dbraw/zinc/23/15/28/230231528.db2.gz VVIMPIWGTCAQHF-UHFFFAOYSA-N 0 3 281.378 -1.332 20 0 CAADHN COC[C@@H](C(N)=O)N(C)C[C@@H](O)CN(C)C1CC1 ZINC000339366084 230238523 /nfs/dbraw/zinc/23/85/23/230238523.db2.gz YCGXFECFKZJCLM-QWRGUYRKSA-N 0 3 259.350 -1.126 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC(CC(N)=O)C2)CC1=O ZINC000358144539 230242684 /nfs/dbraw/zinc/24/26/84/230242684.db2.gz CGVBKDDTUNNPRL-LLVKDONJSA-N 0 3 296.371 -1.270 20 0 CAADHN NC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000419182452 230251487 /nfs/dbraw/zinc/25/14/87/230251487.db2.gz ZLAKIXVDMIOFER-ONGXEEELSA-N 0 3 294.355 -1.184 20 0 CAADHN CO[C@H]1C[C@H](NC(=O)C(=O)N(CCN)CCO)C1(C)C ZINC000419187547 230251506 /nfs/dbraw/zinc/25/15/06/230251506.db2.gz IFJLYFSKJZIRAX-UWVGGRQHSA-N 0 3 287.360 -1.304 20 0 CAADHN NCCNC(=O)C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000419144301 230252765 /nfs/dbraw/zinc/25/27/65/230252765.db2.gz GPDOAQCCHAEJGC-SNVBAGLBSA-N 0 3 290.323 -1.017 20 0 CAADHN N[C@H](CNC(=O)C(=O)N1CCNC(=O)C1)c1ccccc1 ZINC000419923398 230257532 /nfs/dbraw/zinc/25/75/32/230257532.db2.gz GOMZAHYROIDYSH-LLVKDONJSA-N 0 3 290.323 -1.239 20 0 CAADHN NC[C@H](NC(=O)C(=O)N1CCNC(=O)C1)C1CCCC1 ZINC000420073674 230259419 /nfs/dbraw/zinc/25/94/19/230259419.db2.gz PCVSWFHTUPVCRC-JTQLQIEISA-N 0 3 282.344 -1.422 20 0 CAADHN COCCN1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000420065392 230260019 /nfs/dbraw/zinc/26/00/19/230260019.db2.gz PSWNDUOMBYUMNK-GFCCVEGCSA-N 0 3 298.387 -1.370 20 0 CAADHN COCCCOC1CN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420020982 230260560 /nfs/dbraw/zinc/26/05/60/230260560.db2.gz GPFJHIHQGQOQRZ-VIFPVBQESA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000422143556 230266667 /nfs/dbraw/zinc/26/66/67/230266667.db2.gz RPZQMQRTDGWKLP-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN CN(C)CC(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000424043652 230277996 /nfs/dbraw/zinc/27/79/96/230277996.db2.gz RBWIDFRQGQUGIF-UHFFFAOYSA-N 0 3 290.389 -2.006 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000424131650 230279159 /nfs/dbraw/zinc/27/91/59/230279159.db2.gz JOTCJYMEPJOMOZ-DTWKUNHWSA-N 0 3 261.347 -1.820 20 0 CAADHN COCCN1CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC1 ZINC000423729454 230279950 /nfs/dbraw/zinc/27/99/50/230279950.db2.gz XEFVCLCSSXJGCV-LLVKDONJSA-N 0 3 286.376 -1.417 20 0 CAADHN Cc1cc(CN)cc(NC(=O)C(=O)NC[C@@H](O)CO)c1 ZINC000424463470 230281721 /nfs/dbraw/zinc/28/17/21/230281721.db2.gz GZGFBYKKTKFRBC-LLVKDONJSA-N 0 3 281.312 -1.138 20 0 CAADHN C[C@@](C[NH3+])(NC(=O)CN1CC(=O)[N-]C1=O)C1CC1 ZINC000429227516 230298105 /nfs/dbraw/zinc/29/81/05/230298105.db2.gz NYQRYKHYTJQQPM-NSHDSACASA-N 0 3 254.290 -1.218 20 0 CAADHN COCCNCC(=O)NCCCN1C(=O)CCC1=O ZINC000430112151 230302370 /nfs/dbraw/zinc/30/23/70/230302370.db2.gz WMCWHLPNYYFQED-UHFFFAOYSA-N 0 3 271.317 -1.122 20 0 CAADHN COCCNCC(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000430400645 230304106 /nfs/dbraw/zinc/30/41/06/230304106.db2.gz JXSMMXGISBNLPC-VIFPVBQESA-N 0 3 264.347 -1.132 20 0 CAADHN Cn1cc(N2CCN(C(=O)COC3CNC3)CC2=O)cn1 ZINC000430413840 230304885 /nfs/dbraw/zinc/30/48/85/230304885.db2.gz ABLAIJGMPLPRLG-UHFFFAOYSA-N 0 3 293.327 -1.416 20 0 CAADHN CCS(=O)(=O)NCCCNC(=O)C[C@@H]1CNCCO1 ZINC000430266291 230304950 /nfs/dbraw/zinc/30/49/50/230304950.db2.gz CPVJTVAGGYDHMA-SNVBAGLBSA-N 0 3 293.389 -1.190 20 0 CAADHN COCCNCC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000430388370 230305380 /nfs/dbraw/zinc/30/53/80/230305380.db2.gz SWPCSHDEERFVOU-VIFPVBQESA-N 0 3 279.362 -1.628 20 0 CAADHN COCCN1CC[C@H](NC(=O)COC2CNC2)C1 ZINC000430714111 230307486 /nfs/dbraw/zinc/30/74/86/230307486.db2.gz MJXQZAPEQDSIQB-JTQLQIEISA-N 0 3 257.334 -1.188 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N(C)CCO)CC1=O ZINC000434745325 230318513 /nfs/dbraw/zinc/31/85/13/230318513.db2.gz GOWOFFZSABQWSS-SNVBAGLBSA-N 0 3 257.334 -1.153 20 0 CAADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)COC1CNC1 ZINC000430889795 230311063 /nfs/dbraw/zinc/31/10/63/230311063.db2.gz MPYSIZSFDWELIE-NSHDSACASA-N 0 3 284.360 -1.569 20 0 CAADHN COCCCS(=O)(=O)NCC(=O)N(C)CCN(C)C ZINC000431479047 230313849 /nfs/dbraw/zinc/31/38/49/230313849.db2.gz VHMIKOPZPZKSMG-UHFFFAOYSA-N 0 3 295.405 -1.038 20 0 CAADHN O[C@H](COCC(F)(F)F)CN1C[C@@H](O)[C@@H](O)C1 ZINC000432810284 230315064 /nfs/dbraw/zinc/31/50/64/230315064.db2.gz VFVLTLLTHYSRSI-BIIVOSGPSA-N 0 3 259.224 -1.036 20 0 CAADHN C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000433709262 230316707 /nfs/dbraw/zinc/31/67/07/230316707.db2.gz VIALYCLJZZIPMT-NXEZZACHSA-N 0 3 257.334 -1.107 20 0 CAADHN C[C@H]1NCCN(C(=O)CN2CCNCC2=O)[C@@H]1C ZINC000434668760 230319279 /nfs/dbraw/zinc/31/92/79/230319279.db2.gz COFJDCHLYGKEDL-NXEZZACHSA-N 0 3 254.334 -1.373 20 0 CAADHN CN(C)C1(CN(C)C(=O)[C@H](CO)NC(N)=O)CCC1 ZINC000438601260 230322691 /nfs/dbraw/zinc/32/26/91/230322691.db2.gz AXIOVQBDSQHHAN-VIFPVBQESA-N 0 3 272.349 -1.042 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN(CCO)CCO)C[C@H](C)O1 ZINC000441506435 230328396 /nfs/dbraw/zinc/32/83/96/230328396.db2.gz OHKNHWLTTKJIJP-FRRDWIJNSA-N 0 3 276.377 -1.257 20 0 CAADHN COCCCN(CCO)CCN1C(=O)CNC1=O ZINC000446058954 230340480 /nfs/dbraw/zinc/34/04/80/230340480.db2.gz DYCCURYMNNOLPV-UHFFFAOYSA-N 0 3 259.306 -1.131 20 0 CAADHN CN(C)CCOCCNC(=O)N1C[C@H](O)C[C@@H]1CO ZINC000471656141 230354182 /nfs/dbraw/zinc/35/41/82/230354182.db2.gz QQMWUJHEYNOYIX-GHMZBOCLSA-N 0 3 275.349 -1.298 20 0 CAADHN NCC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000490681126 230360355 /nfs/dbraw/zinc/36/03/55/230360355.db2.gz KJROENNVHLKDQJ-SECBINFHSA-N 0 3 279.362 -1.450 20 0 CAADHN CN(C)C/C=C/C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000493386119 230363249 /nfs/dbraw/zinc/36/32/49/230363249.db2.gz KYBPKUFWWCNCHG-OGOUPESXSA-N 0 3 255.318 -1.057 20 0 CAADHN C[C@H](NC(=O)[C@H]1COC(=O)N1)C(=O)NCCN(C)C ZINC000496320048 230364563 /nfs/dbraw/zinc/36/45/63/230364563.db2.gz DTMZCUAZUIIHJC-JGVFFNPUSA-N 0 3 272.305 -1.723 20 0 CAADHN COCCNCCNC(=O)NC1CN(C(=O)OC)C1 ZINC000496257990 230364785 /nfs/dbraw/zinc/36/47/85/230364785.db2.gz TUMVHQWMXYSQTJ-UHFFFAOYSA-N 0 3 274.321 -1.028 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000496787862 230365173 /nfs/dbraw/zinc/36/51/73/230365173.db2.gz WLOCBRMQCHLREG-JTQLQIEISA-N 0 3 270.333 -1.199 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CN(CCCO)C[C@H]1O)N(C)C ZINC001196252227 782030708 /nfs/dbraw/zinc/03/07/08/782030708.db2.gz VSYYVWIZEYIKQQ-GRYCIOLGSA-N 0 3 273.377 -1.130 20 0 CAADHN NC(=O)c1csc(N2CCN3C(=O)[C@H](N)C[C@@H]3C2)n1 ZINC000517395671 260183089 /nfs/dbraw/zinc/18/30/89/260183089.db2.gz MGCMCDXVLVXJFC-RNFRBKRXSA-N 0 3 281.341 -1.010 20 0 CAADHN COC(=O)[C@H]1CC[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)O1 ZINC000518794492 262287319 /nfs/dbraw/zinc/28/73/19/262287319.db2.gz FMRPBXYXLCQQBL-XWLWVQCSSA-N 0 3 286.328 -1.160 20 0 CAADHN CN1CCN(C(=O)CCNS(C)(=O)=O)[C@@H](CN)C1 ZINC000518974451 265266980 /nfs/dbraw/zinc/26/69/80/265266980.db2.gz LYJBYWFDQGVSKL-VIFPVBQESA-N 0 3 278.378 -1.973 20 0 CAADHN CC(C)C(=O)N[C@@H](CO)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000518999109 265290739 /nfs/dbraw/zinc/29/07/39/265290739.db2.gz WVLRIYFTCRXYTR-DCAQKATOSA-N 0 3 287.360 -1.747 20 0 CAADHN NC(C(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(F)(F)F ZINC000519545511 265465428 /nfs/dbraw/zinc/46/54/28/265465428.db2.gz QZVXODDNJZSIKA-UHNVWZDZSA-N 0 3 275.252 -1.235 20 0 CAADHN C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000519763944 265594889 /nfs/dbraw/zinc/59/48/89/265594889.db2.gz IDYRFTWCMPCUJQ-GHMZBOCLSA-N 0 3 268.361 -1.044 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CC(=O)N(C)C)C1 ZINC001196738784 782039889 /nfs/dbraw/zinc/03/98/89/782039889.db2.gz DLEGNIIKDQFIOC-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN CN1CCN(S(=O)(=O)c2c[nH]cn2)[C@@H](CN)C1 ZINC000226620479 269086002 /nfs/dbraw/zinc/08/60/02/269086002.db2.gz POFGTWNBCNRJRY-QMMMGPOBSA-N 0 3 259.335 -1.327 20 0 CAADHN CCN(C)CCNC(=O)CN1C(=O)CN(C)C1=O ZINC000194690135 269086112 /nfs/dbraw/zinc/08/61/12/269086112.db2.gz FEJHEPQWBJPGFD-UHFFFAOYSA-N 0 3 256.306 -1.052 20 0 CAADHN CCN1CCN(CC(=O)NC[C@H]2CCCN2C)C(=O)C1=O ZINC000194700365 269086524 /nfs/dbraw/zinc/08/65/24/269086524.db2.gz YSWSJENUIFVGMV-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)CN)CC1 ZINC000237472938 269086834 /nfs/dbraw/zinc/08/68/34/269086834.db2.gz HXPCUPBOOJCGQV-NSHDSACASA-N 0 3 284.360 -1.663 20 0 CAADHN O=C(NCCN1CCS(=O)(=O)CC1)[C@@H]1CCCCN1 ZINC000238093860 269086882 /nfs/dbraw/zinc/08/68/82/269086882.db2.gz CCARTWKOXKVDOY-NSHDSACASA-N 0 3 289.401 -1.025 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CCNCC2)CC1=O ZINC000237161757 269086971 /nfs/dbraw/zinc/08/69/71/269086971.db2.gz PFENOYXXUIWBMX-LLVKDONJSA-N 0 3 268.361 -1.172 20 0 CAADHN CNCC(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000237204578 269087316 /nfs/dbraw/zinc/08/73/16/269087316.db2.gz DAXITWPURCHISY-GFCCVEGCSA-N 0 3 298.387 -1.403 20 0 CAADHN O=C(CNC(=O)[C@H]1CCCCN1)NCCN1CCOCC1 ZINC000238148258 269087387 /nfs/dbraw/zinc/08/73/87/269087387.db2.gz VKPMCEYQKIDEGY-GFCCVEGCSA-N 0 3 298.387 -1.307 20 0 CAADHN CNCC(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000237204131 269087395 /nfs/dbraw/zinc/08/73/95/269087395.db2.gz DAXITWPURCHISY-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H]1CCCCN1 ZINC000237152791 269087588 /nfs/dbraw/zinc/08/75/88/269087588.db2.gz RXTWKQSKZBYDGN-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CCN1CCN(CCNC(=O)CN2CCNCC2=O)CC1 ZINC000236881195 269087682 /nfs/dbraw/zinc/08/76/82/269087682.db2.gz CPXVJHGENVVGAW-UHFFFAOYSA-N 0 3 297.403 -1.828 20 0 CAADHN CCCNS(=O)(=O)NC[C@@H]1CNCCN1C ZINC000394401465 269088173 /nfs/dbraw/zinc/08/81/73/269088173.db2.gz LWRVLYWNQDOLDU-VIFPVBQESA-N 0 3 250.368 -1.276 20 0 CAADHN O=C(CN1CCOCC1)NC[C@]1(O)CN2CCC1CC2 ZINC000517614075 269088671 /nfs/dbraw/zinc/08/86/71/269088671.db2.gz YZETZDSGTPCENW-AWEZNQCLSA-N 0 3 283.372 -1.109 20 0 CAADHN CN1CCN(C(=O)CCN2C(=O)CCC2=O)[C@H](CN)C1 ZINC000517564943 269088751 /nfs/dbraw/zinc/08/87/51/269088751.db2.gz PBZNRIOAUMLYOY-SNVBAGLBSA-N 0 3 282.344 -1.373 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)C(=O)NC3CCC3)CCN2C1=O ZINC000518218206 269088800 /nfs/dbraw/zinc/08/88/00/269088800.db2.gz BXIKJHULTKANFX-VHSXEESVSA-N 0 3 280.328 -1.575 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)C(=O)NC3CCC3)CCN2C1=O ZINC000518218207 269088804 /nfs/dbraw/zinc/08/88/04/269088804.db2.gz BXIKJHULTKANFX-ZJUUUORDSA-N 0 3 280.328 -1.575 20 0 CAADHN CNC(=O)[C@@H]1CN(CCC(=O)N2CCNCC2)CCO1 ZINC000517031577 269088881 /nfs/dbraw/zinc/08/88/81/269088881.db2.gz NTPYGQFNLRMBMG-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN CC[C@]1(O)CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000519819648 269089189 /nfs/dbraw/zinc/08/91/89/269089189.db2.gz OMSOYWQRGPANLT-RISCZKNCSA-N 0 3 298.387 -1.539 20 0 CAADHN CN(CCNC(=O)C(=O)N1CCN(C)C(=O)C1)C1CC1 ZINC000520833179 269089199 /nfs/dbraw/zinc/08/91/99/269089199.db2.gz NOLUPMZZXYNZQW-UHFFFAOYSA-N 0 3 282.344 -1.503 20 0 CAADHN CC[C@@]1(O)CCN(C(=O)C(=O)N2CCN(C)C[C@H]2CN)C1 ZINC000519819639 269089366 /nfs/dbraw/zinc/08/93/66/269089366.db2.gz OMSOYWQRGPANLT-BXUZGUMPSA-N 0 3 298.387 -1.539 20 0 CAADHN NCC(=O)NCC(=O)NCCNc1ccncc1 ZINC000521620257 269089473 /nfs/dbraw/zinc/08/94/73/269089473.db2.gz FOJXMHSKMZKKMJ-UHFFFAOYSA-N 0 3 251.290 -1.894 20 0 CAADHN CC[C@@H](N)C(=O)NCCCn1c(=O)ccn(C)c1=O ZINC000521872099 269089479 /nfs/dbraw/zinc/08/94/79/269089479.db2.gz VYZFHSDNXKPWCD-SECBINFHSA-N 0 3 268.317 -1.209 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCOCCS(N)(=O)=O)C1 ZINC000521270394 269089525 /nfs/dbraw/zinc/08/95/25/269089525.db2.gz NNBFCQCOOIYPIS-JTQLQIEISA-N 0 3 293.389 -1.251 20 0 CAADHN CN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000518564222 269089539 /nfs/dbraw/zinc/08/95/39/269089539.db2.gz KYKSLGNHIAFWOL-WDEREUQCSA-N 0 3 266.345 -1.149 20 0 CAADHN C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)NC2CNC2)CC1=O ZINC000521591712 269089606 /nfs/dbraw/zinc/08/96/06/269089606.db2.gz HQBZKRAZXJHDJZ-WEDXCCLWSA-N 0 3 280.328 -1.800 20 0 CAADHN CN(C(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000518564220 269089616 /nfs/dbraw/zinc/08/96/16/269089616.db2.gz KYKSLGNHIAFWOL-MNOVXSKESA-N 0 3 266.345 -1.149 20 0 CAADHN CC(C)(C)N1C[C@H](NC(=O)C(=O)NC2CNC2)CC1=O ZINC000520773664 269089731 /nfs/dbraw/zinc/08/97/31/269089731.db2.gz SKGLTGKYKBHNSG-MRVPVSSYSA-N 0 3 282.344 -1.410 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CC(=O)NC(=O)NC3CC3)CCN2C1=O ZINC000522015658 269089971 /nfs/dbraw/zinc/08/99/71/269089971.db2.gz YVBFLSPOTVXOJM-NXEZZACHSA-N 0 3 295.343 -1.782 20 0 CAADHN N[C@H]1C[C@@H]2CN(CC(=O)NC(=O)NC3CC3)CCN2C1=O ZINC000522015661 269090100 /nfs/dbraw/zinc/09/01/00/269090100.db2.gz YVBFLSPOTVXOJM-ZJUUUORDSA-N 0 3 295.343 -1.782 20 0 CAADHN CCN1C[C@@H](C(=O)N2CCN(C)C[C@H]2CN)CC1=O ZINC000522001312 269090150 /nfs/dbraw/zinc/09/01/50/269090150.db2.gz PKYSRISQMMVKGF-WDEREUQCSA-N 0 3 268.361 -1.044 20 0 CAADHN C[C@H](O)CN(C(=O)[C@H]1CN2CCN1CCC2)[C@@H](C)CO ZINC000527481776 269091053 /nfs/dbraw/zinc/09/10/53/269091053.db2.gz CTCGAXYKWSTFCS-RWMBFGLXSA-N 0 3 285.388 -1.034 20 0 CAADHN O=C(NC[C@H]1CNCCO1)NC[C@H]1COCCN1 ZINC000529344189 269092283 /nfs/dbraw/zinc/09/22/83/269092283.db2.gz QZUUWYJGVVVZFH-VHSXEESVSA-N 0 3 258.322 -1.738 20 0 CAADHN O=C(NC[C@@H]1COCCN1)NC[C@@H]1CNCCO1 ZINC000529344190 269092311 /nfs/dbraw/zinc/09/23/11/269092311.db2.gz QZUUWYJGVVVZFH-ZJUUUORDSA-N 0 3 258.322 -1.738 20 0 CAADHN O=C(NC[C@@H]1COCCN1)NC[C@H]1CNCCO1 ZINC000529344187 269092467 /nfs/dbraw/zinc/09/24/67/269092467.db2.gz QZUUWYJGVVVZFH-NXEZZACHSA-N 0 3 258.322 -1.738 20 0 CAADHN CN1CCC[C@@H](NC(=O)NC[C@H]2CNCCO2)C1=O ZINC000529345323 269093330 /nfs/dbraw/zinc/09/33/30/269093330.db2.gz VAUOQETXDLYZPI-NXEZZACHSA-N 0 3 270.333 -1.105 20 0 CAADHN C[C@@H]1CN(CCO)CCN1C(=O)NC[C@@H]1COCCN1 ZINC000529387827 269093619 /nfs/dbraw/zinc/09/36/19/269093619.db2.gz MOBIDVQHSKGDIR-VXGBXAGGSA-N 0 3 286.376 -1.317 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCN1CC[C@@H](C)C1)C(N)=O ZINC000530580897 269094633 /nfs/dbraw/zinc/09/46/33/269094633.db2.gz VCPPWNYHHXHCJO-KOLCDFICSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(C)C(=O)C2)CC1=O ZINC000530582404 269094744 /nfs/dbraw/zinc/09/47/44/269094744.db2.gz JETJPVXRFKGXTK-NSHDSACASA-N 0 3 296.371 -1.303 20 0 CAADHN CCN1CCN(CC(=O)N2CCNC(C)(C)C2)C(=O)C1=O ZINC000531115259 269095390 /nfs/dbraw/zinc/09/53/90/269095390.db2.gz YZFGTAIIGYQGJZ-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)C1CCC1 ZINC001152303758 782042099 /nfs/dbraw/zinc/04/20/99/782042099.db2.gz AYHOXCCSIMKOKZ-UHFFFAOYSA-N 0 3 256.306 -1.906 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001196845692 782042135 /nfs/dbraw/zinc/04/21/35/782042135.db2.gz SWKASCRSSJGQMY-IJLUTSLNSA-N 0 3 299.371 -1.147 20 0 CAADHN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001196826832 782042498 /nfs/dbraw/zinc/04/24/98/782042498.db2.gz KPCAJKSCLMKOGX-YUSALJHKSA-N 0 3 282.344 -1.258 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1O ZINC001197048586 782045876 /nfs/dbraw/zinc/04/58/76/782045876.db2.gz DTCACTUZLACGCK-GMTAPVOTSA-N 0 3 286.376 -1.637 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001197048949 782045913 /nfs/dbraw/zinc/04/59/13/782045913.db2.gz IVAJCFIBIDTVOF-GHMZBOCLSA-N 0 3 259.350 -1.518 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1O ZINC001197048587 782045965 /nfs/dbraw/zinc/04/59/65/782045965.db2.gz DTCACTUZLACGCK-HBNTYKKESA-N 0 3 286.376 -1.637 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001197041860 782046060 /nfs/dbraw/zinc/04/60/60/782046060.db2.gz QEBVLQAKOGYTNM-DJLDLDEBSA-N 0 3 285.304 -2.413 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001197041860 782046073 /nfs/dbraw/zinc/04/60/73/782046073.db2.gz QEBVLQAKOGYTNM-DJLDLDEBSA-N 0 3 285.304 -2.413 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001197041860 782046082 /nfs/dbraw/zinc/04/60/82/782046082.db2.gz QEBVLQAKOGYTNM-DJLDLDEBSA-N 0 3 285.304 -2.413 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001197057687 782047382 /nfs/dbraw/zinc/04/73/82/782047382.db2.gz FZGCQQASOIEVIE-IJLUTSLNSA-N 0 3 298.387 -1.622 20 0 CAADHN C[C@@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001197042136 782046377 /nfs/dbraw/zinc/04/63/77/782046377.db2.gz TVXYGKQNYLBZTR-OPRDCNLKSA-N 0 3 283.332 -1.259 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CCn2cnnn2)C1 ZINC001197153806 782048427 /nfs/dbraw/zinc/04/84/27/782048427.db2.gz BQDVBEPLDOSHTR-NXEZZACHSA-N 0 3 268.321 -1.367 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N[C@H](CN)C2CC2)CC(=O)N1C ZINC000420063426 274323141 /nfs/dbraw/zinc/32/31/41/274323141.db2.gz NHKUXWWFEAKGKZ-PSASIEDQSA-N 0 3 282.344 -1.471 20 0 CAADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000418811706 275585122 /nfs/dbraw/zinc/58/51/22/275585122.db2.gz WCEGSLTWGQCLQY-UWVGGRQHSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(C)CN1CCN(C(=O)C(=O)NCCN)[C@@H](C)C1=O ZINC000419840474 275889594 /nfs/dbraw/zinc/88/95/94/275889594.db2.gz RWFZQASSHNKHTF-JTQLQIEISA-N 0 3 284.360 -1.223 20 0 CAADHN CCN1CCN(CCC(=O)N2CCOC[C@H]2C(N)=O)CC1 ZINC000355022912 276194481 /nfs/dbraw/zinc/19/44/81/276194481.db2.gz NSTWYTXSXZITTP-LBPRGKRZSA-N 0 3 298.387 -1.273 20 0 CAADHN CCN1CCN(C(=O)C(=O)N[C@@H](C)CN)[C@H](C)C1=O ZINC000420030535 276380142 /nfs/dbraw/zinc/38/01/42/276380142.db2.gz PXPBFIYZHQOFKB-DTWKUNHWSA-N 0 3 270.333 -1.471 20 0 CAADHN CN(C)C/C=C\C(=O)N1CCC[C@](O)(C(N)=O)C1 ZINC000493386116 276764237 /nfs/dbraw/zinc/76/42/37/276764237.db2.gz KYBPKUFWWCNCHG-KTLBGCOUSA-N 0 3 255.318 -1.057 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000177042309 277028843 /nfs/dbraw/zinc/02/88/43/277028843.db2.gz LCLWVRQCRXQTAL-ONGXEEELSA-N 0 3 296.371 -1.020 20 0 CAADHN COC(=O)CNC(=O)CCN(C)[C@@H]1COC[C@@H]1O ZINC000352814763 277062193 /nfs/dbraw/zinc/06/21/93/277062193.db2.gz JMYWDECDSLRICB-BDAKNGLRSA-N 0 3 260.290 -1.643 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C[C@H](O)CN(C)C1CC1 ZINC000351387291 277067874 /nfs/dbraw/zinc/06/78/74/277067874.db2.gz PFRNQAVUTZUPPL-NEPJUHHUSA-N 0 3 299.371 -1.195 20 0 CAADHN CN1CC[C@@H]2OCCN(C(=O)[C@@H]3COCCN3)[C@H]2C1 ZINC000424188704 277151131 /nfs/dbraw/zinc/15/11/31/277151131.db2.gz YUCZKXJMGBXUOA-SRVKXCTJSA-N 0 3 269.345 -1.094 20 0 CAADHN COCCN1C[C@@H](C(=O)NC[C@@]2(O)CCN(C)C2)CC1=O ZINC000358082898 277227543 /nfs/dbraw/zinc/22/75/43/277227543.db2.gz VATVDTBZOHFPQN-FZMZJTMJSA-N 0 3 299.371 -1.336 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C[C@@H](O)CN(C)C1CC1 ZINC000351387292 277325148 /nfs/dbraw/zinc/32/51/48/277325148.db2.gz PFRNQAVUTZUPPL-NWDGAFQWSA-N 0 3 299.371 -1.195 20 0 CAADHN COC(=O)[C@@H]1CNC(=O)CN1C[C@H](O)CN(C)C1CC1 ZINC000352356442 277365880 /nfs/dbraw/zinc/36/58/80/277365880.db2.gz HKZGRQRFKCWTHJ-MNOVXSKESA-N 0 3 285.344 -1.585 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000434705158 278095002 /nfs/dbraw/zinc/09/50/02/278095002.db2.gz DQLJDZJZAKOUFT-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000177042337 278096022 /nfs/dbraw/zinc/09/60/22/278096022.db2.gz LCLWVRQCRXQTAL-GXSJLCMTSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)N[C@@H](CC(=O)N1CCC[C@H]2CN(C)C[C@H]21)C(N)=O ZINC000425061074 278131660 /nfs/dbraw/zinc/13/16/60/278131660.db2.gz XWFPNKYNMSCZAN-SDDRHHMPSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](N)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000163982254 278224327 /nfs/dbraw/zinc/22/43/27/278224327.db2.gz QDMQUPIEDWHDRV-LURJTMIESA-N 0 3 277.284 -1.082 20 0 CAADHN CC(C)(C(N)=O)N1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000430802562 278278946 /nfs/dbraw/zinc/27/89/46/278278946.db2.gz NCDMHIRCCJIGDQ-LLVKDONJSA-N 0 3 298.387 -1.227 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332658386 278319502 /nfs/dbraw/zinc/31/95/02/278319502.db2.gz OYYUOUQEUNLRLD-WDEREUQCSA-N 0 3 294.355 -1.360 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000422143554 278319600 /nfs/dbraw/zinc/31/96/00/278319600.db2.gz RPZQMQRTDGWKLP-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN CC(C)(C)N1C[C@@H](NC(=O)C(=O)NCCN)CC1=O ZINC000419196304 278350100 /nfs/dbraw/zinc/35/01/00/278350100.db2.gz TUFPIUKCNIQTAI-QMMMGPOBSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC(=O)N1 ZINC000422118994 278391392 /nfs/dbraw/zinc/39/13/92/278391392.db2.gz RPKHMDJJTIKCGP-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN C[C@H]1NC(=O)CC[C@H]1NCC(=O)N1CCNC(=O)C1 ZINC000333371904 278510503 /nfs/dbraw/zinc/51/05/03/278510503.db2.gz ZECWVJHCYJZTJG-RKDXNWHRSA-N 0 3 268.317 -1.799 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@@H]([N@H+](C)CC(=O)[O-])C1 ZINC000435711128 279088842 /nfs/dbraw/zinc/08/88/42/279088842.db2.gz NDFJEKUGOGTJOD-WDEREUQCSA-N 0 3 287.360 -1.084 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435711128 279088844 /nfs/dbraw/zinc/08/88/44/279088844.db2.gz NDFJEKUGOGTJOD-WDEREUQCSA-N 0 3 287.360 -1.084 20 0 CAADHN C[C@@]1(C(N)=O)CCN(CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000361566679 279156993 /nfs/dbraw/zinc/15/69/93/279156993.db2.gz SCRNZUJRVSIXFX-QMTHXVAHSA-N 0 3 296.371 -1.092 20 0 CAADHN CCN(CCNC(=O)C(=O)N1CCNC(=O)C1)C1CC1 ZINC000359274584 279189994 /nfs/dbraw/zinc/18/99/94/279189994.db2.gz OVUMVAPCUIFXSV-UHFFFAOYSA-N 0 3 282.344 -1.455 20 0 CAADHN CC[C@H](O)CN1CCN(CCNS(C)(=O)=O)CC1 ZINC000174078973 288111140 /nfs/dbraw/zinc/11/11/40/288111140.db2.gz HHDFJTBUNPCZOI-NSHDSACASA-N 0 3 279.406 -1.076 20 0 CAADHN C[C@H](NC(=O)[C@H]1NC(=O)O[C@@H]1C)C(=O)NCCN(C)C ZINC000496065639 279446579 /nfs/dbraw/zinc/44/65/79/279446579.db2.gz LUYNLZWCNOSKPX-YIZRAAEISA-N 0 3 286.332 -1.334 20 0 CAADHN C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000420061430 279625469 /nfs/dbraw/zinc/62/54/69/279625469.db2.gz LMLZGFVRNDQQPE-WPRPVWTQSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H]1CN(CCC(=O)N2CCNCC2)C[C@H](C(N)=O)O1 ZINC000262036760 288155110 /nfs/dbraw/zinc/15/51/10/288155110.db2.gz HGYFLQXXWIGMOW-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN CC[C@@H]1CN(C(=O)[C@@H](N)CC(N)=O)CCN1C[C@@H](C)O ZINC000438885217 280366071 /nfs/dbraw/zinc/36/60/71/280366071.db2.gz SNCMNAVQEHVUOI-MXWKQRLJSA-N 0 3 286.376 -1.507 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)COCc2nncn2C)C1 ZINC001197382029 782052319 /nfs/dbraw/zinc/05/23/19/782052319.db2.gz QLWKXUJUUPVSSB-GHMZBOCLSA-N 0 3 297.359 -1.097 20 0 CAADHN CNC(=O)NC(=O)CCN1CCC(OC)(OC)[C@H](O)C1 ZINC001197317873 782052671 /nfs/dbraw/zinc/05/26/71/782052671.db2.gz YBJAFRAQCWFOQA-SECBINFHSA-N 0 3 289.332 -1.112 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)COCc2ncnn2C)C1 ZINC001197366972 782052727 /nfs/dbraw/zinc/05/27/27/782052727.db2.gz HZPFZKLPEHSARN-GHMZBOCLSA-N 0 3 297.359 -1.099 20 0 CAADHN CN(C)C/C=C\C(=O)NCCNS(=O)(=O)N(C)C ZINC000493490196 282022216 /nfs/dbraw/zinc/02/22/16/282022216.db2.gz IDCYLWHSVMLABH-WAYWQWQTSA-N 0 3 278.378 -1.384 20 0 CAADHN CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CNCCO2)CC1 ZINC000430800260 288945812 /nfs/dbraw/zinc/94/58/12/288945812.db2.gz QEPUYECAEFKMDB-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN CN(C)C/C=C\C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000493608044 289040632 /nfs/dbraw/zinc/04/06/32/289040632.db2.gz BTEGCGDILNEFMI-ARJAWSKDSA-N 0 3 289.401 -1.049 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCn2ncnn2)CC1=O ZINC000433965877 289159948 /nfs/dbraw/zinc/15/99/48/289159948.db2.gz DZHXBHOPPXOAKY-SNVBAGLBSA-N 0 3 295.347 -1.801 20 0 CAADHN CN(C)CCOCCNC(=O)CN1CCN(C)C(=O)C1 ZINC000444293638 289166698 /nfs/dbraw/zinc/16/66/98/289166698.db2.gz UUYAPYDUGIZZKX-UHFFFAOYSA-N 0 3 286.376 -1.545 20 0 CAADHN CN(C)C[C@@H]1CN(C[C@H](O)CN2CCOCC2)CCO1 ZINC000105904412 289202925 /nfs/dbraw/zinc/20/29/25/289202925.db2.gz OKKGRUOPNBRHHY-ZIAGYGMSSA-N 0 3 287.404 -1.058 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CN1CCCS1(=O)=O ZINC000337459488 289219580 /nfs/dbraw/zinc/21/95/80/289219580.db2.gz OPGNGSIZADTTKZ-LLVKDONJSA-N 0 3 293.389 -1.549 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358055586 289233767 /nfs/dbraw/zinc/23/37/67/289233767.db2.gz ZBXFSHUIRZZMOK-NSHDSACASA-N 0 3 293.389 -1.549 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000332730011 289645305 /nfs/dbraw/zinc/64/53/05/289645305.db2.gz RBXYSPVZECWDDN-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCCN2CCNC(=O)C2)C1 ZINC000358657502 290245197 /nfs/dbraw/zinc/24/51/97/290245197.db2.gz CTGHYKYKQDCEMC-ZDUSSCGKSA-N 0 3 299.375 -2.216 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)CN1C(=O)CCC1=O ZINC001273744460 782054899 /nfs/dbraw/zinc/05/48/99/782054899.db2.gz AMHXHHHCHAVRCR-UHFFFAOYSA-N 0 3 298.343 -1.681 20 0 CAADHN CCN(CCNCC(=O)N1CCC1)C(=O)CCNC(N)=O ZINC001273745383 782054927 /nfs/dbraw/zinc/05/49/27/782054927.db2.gz TWGROQXTSGFEKY-UHFFFAOYSA-N 0 3 299.375 -1.285 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCC[C@H]1C(=O)NC ZINC000429780684 290486864 /nfs/dbraw/zinc/48/68/64/290486864.db2.gz CLOIENONPAFMFW-HTQZYQBOSA-N 0 3 256.306 -1.054 20 0 CAADHN O=C(Cc1nnc[nH]1)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001197645035 782056056 /nfs/dbraw/zinc/05/60/56/782056056.db2.gz WEKSFLAWISAXGF-NXEZZACHSA-N 0 3 299.331 -2.483 20 0 CAADHN C[C@@H](O)CCCN1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001197649734 782057916 /nfs/dbraw/zinc/05/79/16/782057916.db2.gz GRFZYRCWUPNPBT-GMTAPVOTSA-N 0 3 297.359 -1.331 20 0 CAADHN COC[C@H](O)CN1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001197573822 782057668 /nfs/dbraw/zinc/05/76/68/782057668.db2.gz OROJIOPCJPPUGA-VHSXEESVSA-N 0 3 266.363 -1.135 20 0 CAADHN CO[C@@H](CN)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000353154258 293513452 /nfs/dbraw/zinc/51/34/52/293513452.db2.gz ROUNNFJDYGBEGB-VIFPVBQESA-N 0 3 259.306 -1.723 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000227365514 293514993 /nfs/dbraw/zinc/51/49/93/293514993.db2.gz CIIPCCXNDIVLSH-UWVGGRQHSA-N 0 3 293.389 -1.110 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(CCC(=O)N(C)C)CC1 ZINC000353430078 293515714 /nfs/dbraw/zinc/51/57/14/293515714.db2.gz QOPUGSMIGASRJN-NSHDSACASA-N 0 3 286.376 -1.417 20 0 CAADHN COC[C@@H](O)CN1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC001197759610 782059035 /nfs/dbraw/zinc/05/90/35/782059035.db2.gz FWHHXKZUBSQKHN-NSHDSACASA-N 0 3 297.359 -1.111 20 0 CAADHN COCCN(CC(F)F)C(=O)C(=O)NC1CNC1 ZINC000580634169 335307297 /nfs/dbraw/zinc/30/72/97/335307297.db2.gz DJSYMIAMLVFSMD-UHFFFAOYSA-N 0 3 265.260 -1.186 20 0 CAADHN CO[C@H](CN)C(=O)N(C)CC(=O)N1CCOCC1 ZINC000353154251 294408401 /nfs/dbraw/zinc/40/84/01/294408401.db2.gz ROUNNFJDYGBEGB-SECBINFHSA-N 0 3 259.306 -1.723 20 0 CAADHN CO[C@H](CN)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O ZINC000227365521 294410286 /nfs/dbraw/zinc/41/02/86/294410286.db2.gz CIIPCCXNDIVLSH-VHSXEESVSA-N 0 3 293.389 -1.110 20 0 CAADHN CO[C@H](CN)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000227363132 294410776 /nfs/dbraw/zinc/41/07/76/294410776.db2.gz CWWFSFHYKRQNOH-MRVPVSSYSA-N 0 3 265.335 -1.936 20 0 CAADHN NC(=O)NC(=O)CCN1CCN2CCOC[C@H]2C1 ZINC000368211939 295071626 /nfs/dbraw/zinc/07/16/26/295071626.db2.gz KCFJRTXIPUBTSW-SECBINFHSA-N 0 3 256.306 -1.412 20 0 CAADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)CCOC1CNC1 ZINC000349006195 295109767 /nfs/dbraw/zinc/10/97/67/295109767.db2.gz TYAYACJWDQVGSE-LBPRGKRZSA-N 0 3 298.387 -1.179 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](O)CN2CCCCC2)O1 ZINC000356448018 295115934 /nfs/dbraw/zinc/11/59/34/295115934.db2.gz PXPDUDIVDLYODQ-GRYCIOLGSA-N 0 3 299.371 -1.018 20 0 CAADHN NCC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000376581242 295217503 /nfs/dbraw/zinc/21/75/03/295217503.db2.gz NNKYHYRCEBQSPY-RYUDHWBXSA-N 0 3 298.387 -1.179 20 0 CAADHN NCC(=O)NCC(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000376581241 295217621 /nfs/dbraw/zinc/21/76/21/295217621.db2.gz NNKYHYRCEBQSPY-NWDGAFQWSA-N 0 3 298.387 -1.179 20 0 CAADHN NS(=O)(=O)N1CCN(CCN2CCCOCC2)CC1 ZINC000429686724 295284806 /nfs/dbraw/zinc/28/48/06/295284806.db2.gz SYJWCPUODQRCGM-UHFFFAOYSA-N 0 3 292.405 -1.470 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000424144877 295325030 /nfs/dbraw/zinc/32/50/30/295325030.db2.gz MJTYWOFVEGPHER-GRYCIOLGSA-N 0 3 296.371 -1.617 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000091300669 295521932 /nfs/dbraw/zinc/52/19/32/295521932.db2.gz YMVAFQJYWURMQR-JTQLQIEISA-N 0 3 291.373 -1.531 20 0 CAADHN O=C(C[C@H]1NC(=O)NC1=O)N[C@H](CO)CN1CCCCC1 ZINC000352851260 295550576 /nfs/dbraw/zinc/55/05/76/295550576.db2.gz ASSSGKDWGNCFJL-VHSXEESVSA-N 0 3 298.343 -1.453 20 0 CAADHN CS[C@@H]1CN(C(=O)[C@@H](CO)NC(N)=O)C[C@H]1N(C)C ZINC000330648044 295645902 /nfs/dbraw/zinc/64/59/02/295645902.db2.gz HSZBQGKNIYSLHA-IWSPIJDZSA-N 0 3 290.389 -1.066 20 0 CAADHN CCN1CCCN(C(=O)CNC(=O)Cn2cncn2)CC1 ZINC001198236703 782063482 /nfs/dbraw/zinc/06/34/82/782063482.db2.gz VHYKBBWBSYGDNN-UHFFFAOYSA-N 0 3 294.359 -1.052 20 0 CAADHN COCCN(CCO)C(=O)C(C)S(C)(=O)=O ZINC000160345719 523703357 /nfs/dbraw/zinc/70/33/57/523703357.db2.gz NQAMLPQSBZEULI-QMMMGPOBSA-N 0 3 253.320 -1.113 20 0 CAADHN C[C@](CN)(NC(=O)CN1CCS(=O)(=O)CC1)C1CC1 ZINC000429232948 300720001 /nfs/dbraw/zinc/72/00/01/300720001.db2.gz CGEISANWNDTLPK-GFCCVEGCSA-N 0 3 289.401 -1.040 20 0 CAADHN CCN(CC)CC(=O)NCCNS(=O)(=O)N(C)C ZINC000353150709 528089420 /nfs/dbraw/zinc/08/94/20/528089420.db2.gz SYOUGOCLZJCTSQ-UHFFFAOYSA-N 0 3 280.394 -1.160 20 0 CAADHN CCN(CCO)CCNC(=O)CCS(=O)(=O)N(C)C ZINC000347791781 528532837 /nfs/dbraw/zinc/53/28/37/528532837.db2.gz IGWJYHVRRKQBKT-UHFFFAOYSA-N 0 3 295.405 -1.302 20 0 CAADHN CCOCCS(=O)(=O)NCC(=O)N(C)CCN(C)C ZINC000354910484 528851034 /nfs/dbraw/zinc/85/10/34/528851034.db2.gz KOKHRIORWAYKCK-UHFFFAOYSA-N 0 3 295.405 -1.038 20 0 CAADHN NC(=O)[N-]C(=O)OCCC[N@H+](CCO)CCCO ZINC000494574423 303272012 /nfs/dbraw/zinc/27/20/12/303272012.db2.gz ZFGSYMRUDDICLY-UHFFFAOYSA-N 0 3 263.294 -1.142 20 0 CAADHN NC(=O)[N-]C(=O)OCCC[N@@H+](CCO)CCCO ZINC000494574423 303272014 /nfs/dbraw/zinc/27/20/14/303272014.db2.gz ZFGSYMRUDDICLY-UHFFFAOYSA-N 0 3 263.294 -1.142 20 0 CAADHN NC[C@@H](NC(=O)C(=O)N1CCNC(=O)C1)C1CCCC1 ZINC000420073675 303392027 /nfs/dbraw/zinc/39/20/27/303392027.db2.gz PCVSWFHTUPVCRC-SNVBAGLBSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)Cn1cc(C(=O)NCCN[C@@H]2CCNC2=O)nn1 ZINC001152414555 782064605 /nfs/dbraw/zinc/06/46/05/782064605.db2.gz BDJIVXSCEMUXKT-SSDOTTSWSA-N 0 3 295.303 -3.029 20 0 CAADHN O=C(CCOC1CNC1)NCCN1C(=O)CCC1=O ZINC000349006934 303585209 /nfs/dbraw/zinc/58/52/09/303585209.db2.gz ULBLMVLTSBPETR-UHFFFAOYSA-N 0 3 269.301 -1.370 20 0 CAADHN O=C(C[C@@H]1CNCCO1)NCCN1CCOCC1 ZINC000091299124 303645786 /nfs/dbraw/zinc/64/57/86/303645786.db2.gz POPHOISHVJHPKN-LLVKDONJSA-N 0 3 257.334 -1.187 20 0 CAADHN O=S1(=O)CC[C@H](CNC[C@@H](O)CN2CCOCC2)C1 ZINC000037982412 304794875 /nfs/dbraw/zinc/79/48/75/304794875.db2.gz IFEPBBOFPSHVFV-VXGBXAGGSA-N 0 3 292.401 -1.296 20 0 CAADHN CCN(CCNCCF)C(=O)c1cn(CC(N)=O)nn1 ZINC001273771814 782071468 /nfs/dbraw/zinc/07/14/68/782071468.db2.gz MNBPREJIAQCXAR-UHFFFAOYSA-N 0 3 286.311 -1.215 20 0 CAADHN CCOCCOCC(=O)NCCNCC(=O)N(C)C ZINC001152496540 782071697 /nfs/dbraw/zinc/07/16/97/782071697.db2.gz YGROEVRYQRJCBM-UHFFFAOYSA-N 0 3 275.349 -1.167 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CCC(=O)N(C)C2)C1=O ZINC001152510807 782072065 /nfs/dbraw/zinc/07/20/65/782072065.db2.gz XDYJRXORPKEPRK-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)N2CCC2)CCC1=O ZINC001152517433 782073267 /nfs/dbraw/zinc/07/32/67/782073267.db2.gz VCVLQEYVHWDMRQ-NSHDSACASA-N 0 3 296.371 -1.207 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001199104962 782074200 /nfs/dbraw/zinc/07/42/00/782074200.db2.gz XYAMISRYNTYAGG-IJLUTSLNSA-N 0 3 298.387 -1.624 20 0 CAADHN CNC(=O)NC(=O)CNC[C@@H]1CN(C(C)=O)CCCO1 ZINC001199601772 782083827 /nfs/dbraw/zinc/08/38/27/782083827.db2.gz WGHLWQLACYXLDW-SNVBAGLBSA-N 0 3 286.332 -1.331 20 0 CAADHN CC(=O)N1CCCO[C@@H](CNCCNS(C)(=O)=O)C1 ZINC001199621734 782084224 /nfs/dbraw/zinc/08/42/24/782084224.db2.gz ALSXFNZKVQJUQU-NSHDSACASA-N 0 3 293.389 -1.237 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)COC)CCCO1 ZINC001199601191 782083936 /nfs/dbraw/zinc/08/39/36/782083936.db2.gz QDWQXBWHBKWJIC-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CC(=O)N1CCCO[C@H](CN[C@H](C)C(=O)NC(N)=O)C1 ZINC001199622260 782084423 /nfs/dbraw/zinc/08/44/23/782084423.db2.gz GBSBSICNBASNFK-PSASIEDQSA-N 0 3 286.332 -1.203 20 0 CAADHN COCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001199591033 782084478 /nfs/dbraw/zinc/08/44/78/782084478.db2.gz MJLCIXMCNGNRGN-VIFPVBQESA-N 0 3 259.306 -1.675 20 0 CAADHN N[C@@H](C(=O)NCCN1CCS(=O)(=O)CC1)C1CCC1 ZINC000574915297 327640255 /nfs/dbraw/zinc/64/02/55/327640255.db2.gz OGOXHOYEZFXLQQ-LLVKDONJSA-N 0 3 289.401 -1.040 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)COC)CCCO1 ZINC001199601189 782084639 /nfs/dbraw/zinc/08/46/39/782084639.db2.gz QDWQXBWHBKWJIC-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)CCOC)CCCO1 ZINC001199653183 782084609 /nfs/dbraw/zinc/08/46/09/782084609.db2.gz LNUAPKJGZBGRCY-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)COC)CCCO1 ZINC001199589573 782084792 /nfs/dbraw/zinc/08/47/92/782084792.db2.gz BOUWLIPAVZTIOY-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN CN(C)[C@H]1CN(C(=O)C2(NC(N)=O)CC2)C[C@@H]1O ZINC000574962088 327671244 /nfs/dbraw/zinc/67/12/44/327671244.db2.gz PEOYDUNAWFQIBE-YUMQZZPRSA-N 0 3 256.306 -1.679 20 0 CAADHN CCS(=O)(=O)NCCN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000580095892 327698658 /nfs/dbraw/zinc/69/86/58/327698658.db2.gz KPZSRNVKSBHYGL-UWVGGRQHSA-N 0 3 290.389 -1.831 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CNC(=O)C1)C(=O)NCCN(C)C ZINC000565315714 327900301 /nfs/dbraw/zinc/90/03/01/327900301.db2.gz XTAPNDJUSRYYBT-IUCAKERBSA-N 0 3 270.333 -1.695 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CNC(=O)C1)C(=O)NCCN(C)C ZINC000565315715 327900307 /nfs/dbraw/zinc/90/03/07/327900307.db2.gz XTAPNDJUSRYYBT-RKDXNWHRSA-N 0 3 270.333 -1.695 20 0 CAADHN Cc1c(C(=O)N2CCN(C)C[C@@H]2CN)nnn1C ZINC000563101952 327924335 /nfs/dbraw/zinc/92/43/35/327924335.db2.gz VSCFJQPJRLBHOS-VIFPVBQESA-N 0 3 252.322 -1.162 20 0 CAADHN CC1(C)C[C@@H]1NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000570986175 327969810 /nfs/dbraw/zinc/96/98/10/327969810.db2.gz NJBDEAMHWSGUPW-AEJSXWLSSA-N 0 3 294.355 -1.329 20 0 CAADHN NC1(C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)CC1 ZINC000583694253 329004581 /nfs/dbraw/zinc/00/45/81/329004581.db2.gz KPJYNXWQRHLESX-SNVBAGLBSA-N 0 3 266.345 -1.100 20 0 CAADHN COCCNCC(=O)N1CCOC[C@H]1C(=O)OC ZINC000571047936 327984851 /nfs/dbraw/zinc/98/48/51/327984851.db2.gz UYKMFBGXHCMEGT-VIFPVBQESA-N 0 3 260.290 -1.377 20 0 CAADHN CN(C)C1(CNC(=O)CN(C)S(=O)(=O)N(C)C)CC1 ZINC000563275977 328006081 /nfs/dbraw/zinc/00/60/81/328006081.db2.gz LJTYXTIQNSVQPC-UHFFFAOYSA-N 0 3 292.405 -1.065 20 0 CAADHN Cn1c(=O)ccn(CC(=O)NCCN2CCCC2)c1=O ZINC000048101041 328041172 /nfs/dbraw/zinc/04/11/72/328041172.db2.gz IMLOXQNPHGYYBL-UHFFFAOYSA-N 0 3 280.328 -1.241 20 0 CAADHN O=C(NC1=NCC(=O)N1)[C@@H]1CN2CCN1CCC2 ZINC000534266684 328042241 /nfs/dbraw/zinc/04/22/41/328042241.db2.gz GWXPHNAKNYXLIU-QMMMGPOBSA-N 0 3 251.290 -2.022 20 0 CAADHN COC[C@](C)(O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000534270545 328042616 /nfs/dbraw/zinc/04/26/16/328042616.db2.gz VULAEQNVGXIOSQ-WCQYABFASA-N 0 3 271.361 -1.110 20 0 CAADHN COC[C@@](C)(O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000534270546 328042622 /nfs/dbraw/zinc/04/26/22/328042622.db2.gz VULAEQNVGXIOSQ-YPMHNXCESA-N 0 3 271.361 -1.110 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN(CCO)CC1 ZINC000534268994 328042726 /nfs/dbraw/zinc/04/27/26/328042726.db2.gz PILFIMJRNXIRJD-ZDUSSCGKSA-N 0 3 282.388 -1.487 20 0 CAADHN COC[C@@](C)(O)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000534270543 328042836 /nfs/dbraw/zinc/04/28/36/328042836.db2.gz VULAEQNVGXIOSQ-AAEUAGOBSA-N 0 3 271.361 -1.110 20 0 CAADHN COC[C@@H](CCO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000534276156 328043175 /nfs/dbraw/zinc/04/31/75/328043175.db2.gz CLHVZBFADXJERD-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN COC[C@@H](CCO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000534276159 328043294 /nfs/dbraw/zinc/04/32/94/328043294.db2.gz CLHVZBFADXJERD-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN COC[C@H](CCO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000534276157 328043349 /nfs/dbraw/zinc/04/33/49/328043349.db2.gz CLHVZBFADXJERD-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)CC3CC3)CCN2C1=O ZINC000563440702 328065561 /nfs/dbraw/zinc/06/55/61/328065561.db2.gz JNPICIOXSQOYFR-NXEZZACHSA-N 0 3 273.358 -1.030 20 0 CAADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)CC3CC3)CCN2C1=O ZINC000563440704 328065582 /nfs/dbraw/zinc/06/55/82/328065582.db2.gz JNPICIOXSQOYFR-VHSXEESVSA-N 0 3 273.358 -1.030 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CCCN3CCOCC3)CCN2C1=O ZINC000563442033 328066496 /nfs/dbraw/zinc/06/64/96/328066496.db2.gz NJLHUNIFHHQOCV-CHWSQXEVSA-N 0 3 282.388 -1.048 20 0 CAADHN N[C@H]1C[C@H]2CN(CC(=O)NCC(F)(F)F)CCN2C1=O ZINC000563442532 328066863 /nfs/dbraw/zinc/06/68/63/328066863.db2.gz REENGMRFAXLROF-YUMQZZPRSA-N 0 3 294.277 -1.091 20 0 CAADHN N[C@H]1C[C@@H]2CN(CC(=O)NCC(F)(F)F)CCN2C1=O ZINC000563442531 328066918 /nfs/dbraw/zinc/06/69/18/328066918.db2.gz REENGMRFAXLROF-SFYZADRCSA-N 0 3 294.277 -1.091 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563455234 328067472 /nfs/dbraw/zinc/06/74/72/328067472.db2.gz KYASDIDPKOKEDM-LMLFDSFASA-N 0 3 298.343 -1.646 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563455235 328067639 /nfs/dbraw/zinc/06/76/39/328067639.db2.gz KYASDIDPKOKEDM-LNFKQOIKSA-N 0 3 298.343 -1.646 20 0 CAADHN CN1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1=O ZINC000563459311 328068015 /nfs/dbraw/zinc/06/80/15/328068015.db2.gz YIYSRIYSKDKAIG-UTLUCORTSA-N 0 3 295.343 -1.830 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN[C@@H](C)C1 ZINC000563536535 328071773 /nfs/dbraw/zinc/07/17/73/328071773.db2.gz AGGMUNDZJQQHIP-ONGXEEELSA-N 0 3 256.350 -1.094 20 0 CAADHN CN(C[C@H](O)CNCCNS(C)(=O)=O)C1CC1 ZINC000310421485 328076647 /nfs/dbraw/zinc/07/66/47/328076647.db2.gz QSMWFOIBTVEMIL-SNVBAGLBSA-N 0 3 265.379 -1.420 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@H]2CCCO2)[C@@H](CN)C1 ZINC000563628162 328078516 /nfs/dbraw/zinc/07/85/16/328078516.db2.gz NBZFPCWDRZYHKY-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CCCO2)[C@H](CN)C1 ZINC000563628158 328078553 /nfs/dbraw/zinc/07/85/53/328078553.db2.gz NBZFPCWDRZYHKY-MNOVXSKESA-N 0 3 284.360 -1.617 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CCCO2)[C@@H](CN)C1 ZINC000563628160 328078631 /nfs/dbraw/zinc/07/86/31/328078631.db2.gz NBZFPCWDRZYHKY-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN N[C@H]1C[C@H]2CN(S(=O)(=O)C3CC3)CCN2C1=O ZINC000563638847 328079863 /nfs/dbraw/zinc/07/98/63/328079863.db2.gz WVXKRBURSZWPFF-CBAPKCEASA-N 0 3 259.331 -1.278 20 0 CAADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)C3CC3)CCN2C1=O ZINC000563638845 328079937 /nfs/dbraw/zinc/07/99/37/328079937.db2.gz WVXKRBURSZWPFF-APPZFPTMSA-N 0 3 259.331 -1.278 20 0 CAADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)C3CC3)CCN2C1=O ZINC000563638849 328079954 /nfs/dbraw/zinc/07/99/54/328079954.db2.gz WVXKRBURSZWPFF-VXNVDRBHSA-N 0 3 259.331 -1.278 20 0 CAADHN O=C(NCCOc1ncccc1F)C(=O)NC1CNC1 ZINC000563639411 328080183 /nfs/dbraw/zinc/08/01/83/328080183.db2.gz IJPAYJHYPJSTBY-UHFFFAOYSA-N 0 3 282.275 -1.196 20 0 CAADHN CC(=O)NCCN(C)CCC(=O)N1CCNCC1 ZINC000308186711 328080740 /nfs/dbraw/zinc/08/07/40/328080740.db2.gz KJRXITNYUTURMY-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN CN1CCN(C(=O)CN2CN=NC2=O)[C@H](CN)C1 ZINC000571162503 328089501 /nfs/dbraw/zinc/08/95/01/328089501.db2.gz CSCYDONXLCORTG-MRVPVSSYSA-N 0 3 254.294 -1.915 20 0 CAADHN CN1CCOC[C@H]1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000571177587 328089893 /nfs/dbraw/zinc/08/98/93/328089893.db2.gz OFALPYOIMFGANO-GXTWGEPZSA-N 0 3 283.372 -1.110 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000571177590 328089914 /nfs/dbraw/zinc/08/99/14/328089914.db2.gz OFALPYOIMFGANO-TZMCWYRMSA-N 0 3 283.372 -1.110 20 0 CAADHN CN1CCN(S(=O)(=O)C[C@@H]2CCOC2)[C@@H](CN)C1 ZINC000571215149 328092385 /nfs/dbraw/zinc/09/23/85/328092385.db2.gz ZERZIMAFZVOVPV-MNOVXSKESA-N 0 3 277.390 -1.073 20 0 CAADHN CN1CCN(S(=O)(=O)C[C@H]2CCOC2)[C@H](CN)C1 ZINC000571215215 328092390 /nfs/dbraw/zinc/09/23/90/328092390.db2.gz ZERZIMAFZVOVPV-WDEREUQCSA-N 0 3 277.390 -1.073 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCN(C)C[C@H]1CN ZINC000571209218 328093328 /nfs/dbraw/zinc/09/33/28/328093328.db2.gz UUHZNSLTDOFHAQ-MRVPVSSYSA-N 0 3 264.351 -2.363 20 0 CAADHN C[C@H](NC(=O)[C@H]1CC[C@H]1C(N)=O)C(=O)NCCN(C)C ZINC000571224933 328093534 /nfs/dbraw/zinc/09/35/34/328093534.db2.gz ONVFCCPCGUCDLS-AEJSXWLSSA-N 0 3 284.360 -1.320 20 0 CAADHN COCCNCCNC(=O)CCS(=O)(=O)N(C)C ZINC000571405179 328119843 /nfs/dbraw/zinc/11/98/43/328119843.db2.gz NYAVVBXRJASVEO-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)CNC[C@@H]3CCCO3)CCN2C1=O ZINC000575763594 328123412 /nfs/dbraw/zinc/12/34/12/328123412.db2.gz WPBWWIUHKSVPOJ-SDDRHHMPSA-N 0 3 296.371 -1.475 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NC2CNC2)CC(=O)N1C ZINC000582596584 329113585 /nfs/dbraw/zinc/11/35/85/329113585.db2.gz ZSGDVBFRVYDZDA-SSDOTTSWSA-N 0 3 254.290 -2.237 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CNCC(=O)NCCO)C[C@@H](C)O1 ZINC000571642967 328180650 /nfs/dbraw/zinc/18/06/50/328180650.db2.gz WVAOKTVYVOOJEN-IJLUTSLNSA-N 0 3 289.376 -1.845 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@@H](O)[C@H](OC)C1 ZINC000395345571 329283057 /nfs/dbraw/zinc/28/30/57/329283057.db2.gz AVXJXKYLAOGFPS-QJPTWQEYSA-N 0 3 262.350 -1.383 20 0 CAADHN O=C(Cn1cnnn1)N1CCCO[C@@H](CNCCF)C1 ZINC001199788324 782087200 /nfs/dbraw/zinc/08/72/00/782087200.db2.gz WAIYQBXIIQGXFN-JTQLQIEISA-N 0 3 286.311 -1.150 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cn2cccn2)CCCO1 ZINC001199846265 782087410 /nfs/dbraw/zinc/08/74/10/782087410.db2.gz INOJVSBZBRJIJB-NSHDSACASA-N 0 3 295.343 -1.425 20 0 CAADHN CCOCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001199761195 782086061 /nfs/dbraw/zinc/08/60/61/782086061.db2.gz HBWLQEWBDKMNCL-JTQLQIEISA-N 0 3 273.333 -1.285 20 0 CAADHN CCOCC(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 ZINC001199754151 782086080 /nfs/dbraw/zinc/08/60/80/782086080.db2.gz XJPXWYYZKZWPJM-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN NC(=O)NCC(=O)N1CCCO[C@@H](CNCCF)C1 ZINC001199810861 782088103 /nfs/dbraw/zinc/08/81/03/782088103.db2.gz KSPREGCPCAIMTF-VIFPVBQESA-N 0 3 276.312 -1.169 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cn[nH]c2)CCCO1 ZINC001199938924 782088727 /nfs/dbraw/zinc/08/87/27/782088727.db2.gz DQAGTLAIUZHPJF-SNVBAGLBSA-N 0 3 281.316 -1.284 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NC/C=C/CNC(=O)COC ZINC001273791588 782088995 /nfs/dbraw/zinc/08/89/95/782088995.db2.gz VDHMWDABDMWYFU-MOVJSRMASA-N 0 3 286.332 -1.261 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cnns2)CCCO1 ZINC001199955904 782089936 /nfs/dbraw/zinc/08/99/36/782089936.db2.gz BFIRBOIWAFPAJA-MRVPVSSYSA-N 0 3 299.356 -1.156 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H](C)OC)CCCO1 ZINC001199976593 782090290 /nfs/dbraw/zinc/09/02/90/782090290.db2.gz GHCUSZKFNKRYSJ-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCOC2)CCCO1 ZINC001200022321 782090381 /nfs/dbraw/zinc/09/03/81/782090381.db2.gz ZTENRPNYCSMLEZ-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN CO[C@@H](C)C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001199978845 782090507 /nfs/dbraw/zinc/09/05/07/782090507.db2.gz XKYKWQNCNAAUNK-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@@H]2CCOC2)CCCO1 ZINC001200022320 782090787 /nfs/dbraw/zinc/09/07/87/782090787.db2.gz ZTENRPNYCSMLEZ-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCOC2)CCCO1 ZINC001200022323 782091085 /nfs/dbraw/zinc/09/10/85/782091085.db2.gz ZTENRPNYCSMLEZ-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)[C@@H](C)OC)CCCO1 ZINC001199976592 782091121 /nfs/dbraw/zinc/09/11/21/782091121.db2.gz GHCUSZKFNKRYSJ-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CNC[C@@H]1CN(C(=O)[C@H](C)OC)CCCO1 ZINC001199976594 782091487 /nfs/dbraw/zinc/09/14/87/782091487.db2.gz GHCUSZKFNKRYSJ-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cocn2)CCCO1 ZINC001200092212 782092111 /nfs/dbraw/zinc/09/21/11/782092111.db2.gz FSPXCRQHVPROGK-VIFPVBQESA-N 0 3 282.300 -1.019 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)[C@H]2CCC(=O)N2)CCCO1 ZINC001200092309 782092631 /nfs/dbraw/zinc/09/26/31/782092631.db2.gz HMQNJPXCGUIMDO-VHSXEESVSA-N 0 3 298.343 -2.043 20 0 CAADHN C[C@H](NC[C@H]1CN(C(=O)CC(N)=O)CCCO1)C(N)=O ZINC001200145149 782093891 /nfs/dbraw/zinc/09/38/91/782093891.db2.gz RFCGXTPBXQSBHO-IUCAKERBSA-N 0 3 286.332 -2.057 20 0 CAADHN C[C@@H](NC[C@@H]1CN(C(=O)CC(N)=O)CCCO1)C(N)=O ZINC001200145150 782094454 /nfs/dbraw/zinc/09/44/54/782094454.db2.gz RFCGXTPBXQSBHO-RKDXNWHRSA-N 0 3 286.332 -2.057 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)NCCNc1ccncc1 ZINC000534525385 328305254 /nfs/dbraw/zinc/30/52/54/328305254.db2.gz PAHKVVDFSFEYHW-UHFFFAOYSA-N 0 3 291.311 -1.027 20 0 CAADHN CC(C)NC(=O)CN(C)CC(=O)N1CCN(C)C[C@@H]1CN ZINC000583083012 329311692 /nfs/dbraw/zinc/31/16/92/329311692.db2.gz HQRUKCZJTNYFRT-LBPRGKRZSA-N 0 3 299.419 -1.456 20 0 CAADHN C[C@@H](NC1CC1)C(=O)NCCN1C(=O)CNC1=O ZINC000574986767 328517491 /nfs/dbraw/zinc/51/74/91/328517491.db2.gz ZNZOPTHMCYBVPG-SSDOTTSWSA-N 0 3 254.290 -1.205 20 0 CAADHN CN[C@@H](C)C(=O)N1CC(S(=O)(=O)N2CCNCC2)C1 ZINC000584063676 326913318 /nfs/dbraw/zinc/91/33/18/326913318.db2.gz YQVUTKACULJJIU-VIFPVBQESA-N 0 3 290.389 -1.960 20 0 CAADHN CNC(=O)CN1CCN(C(=O)CNC[C@H]2CCCO2)CC1 ZINC000556814081 326967689 /nfs/dbraw/zinc/96/76/89/326967689.db2.gz FKPTZFDDECWKTM-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN COC[C@@H](C)NC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565668858 326992310 /nfs/dbraw/zinc/99/23/10/326992310.db2.gz DBQZKHTVWOKWTM-OPRDCNLKSA-N 0 3 298.343 -2.092 20 0 CAADHN CN(C(=O)CNC(=O)C(=O)NC1CNC1)C1CCCCC1 ZINC000557265249 326999441 /nfs/dbraw/zinc/99/94/41/326999441.db2.gz PHAFGLWYYIYNEO-UHFFFAOYSA-N 0 3 296.371 -1.018 20 0 CAADHN O=C(C[C@@H]1CSCCN1)NCC(=O)N1CCNCC1 ZINC000564835870 326999983 /nfs/dbraw/zinc/99/99/83/326999983.db2.gz GYPORVMUIDGITJ-SNVBAGLBSA-N 0 3 286.401 -1.371 20 0 CAADHN CCOC(=O)[C@@H]1CC[C@H](NC(=O)C(=O)NC2CNC2)C1 ZINC000557279084 327000501 /nfs/dbraw/zinc/00/05/01/327000501.db2.gz NZAQNLRIVLGLHX-BDAKNGLRSA-N 0 3 283.328 -1.078 20 0 CAADHN CSC[C@H](C)NC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000557295474 327000579 /nfs/dbraw/zinc/00/05/79/327000579.db2.gz KVEHKXRHTMIKEH-VHSXEESVSA-N 0 3 288.417 -1.045 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@H]2CNCCO2)nc1 ZINC000564841275 327002661 /nfs/dbraw/zinc/00/26/61/327002661.db2.gz AKCRRBXYLCLCRY-SECBINFHSA-N 0 3 264.285 -1.101 20 0 CAADHN C[C@@H]1COCCN1CCNC[C@@H](O)CN1CCOCC1 ZINC000564843537 327006535 /nfs/dbraw/zinc/00/65/35/327006535.db2.gz ADMGKLUUDRBMLD-ZIAGYGMSSA-N 0 3 287.404 -1.010 20 0 CAADHN CN1CCN(C(=O)CSCC(N)=O)[C@H](CN)C1 ZINC000584112015 327009570 /nfs/dbraw/zinc/00/95/70/327009570.db2.gz IQLIBBOYWYNFIO-MRVPVSSYSA-N 0 3 260.363 -1.694 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)NCCNc1cc[nH+]cc1 ZINC000533812571 327019739 /nfs/dbraw/zinc/01/97/39/327019739.db2.gz JDLAJWDMSGNPEO-UHFFFAOYSA-N 0 3 277.284 -1.417 20 0 CAADHN CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000569086648 327033502 /nfs/dbraw/zinc/03/35/02/327033502.db2.gz ADKCRWOOVFUICO-SDDRHHMPSA-N 0 3 298.387 -1.229 20 0 CAADHN O=C(Cn1cnnn1)NC[C@]1(O)CN2CCC1CC2 ZINC000558034565 327047138 /nfs/dbraw/zinc/04/71/38/327047138.db2.gz GTDGRZWEHNBIOR-NSHDSACASA-N 0 3 266.305 -1.754 20 0 CAADHN O=C(Cn1cnnn1)NC[C@@]1(O)CN2CCC1CC2 ZINC000558034535 327047159 /nfs/dbraw/zinc/04/71/59/327047159.db2.gz GTDGRZWEHNBIOR-LLVKDONJSA-N 0 3 266.305 -1.754 20 0 CAADHN CCOCC[C@H](O)CNCCNS(C)(=O)=O ZINC000584167766 327054901 /nfs/dbraw/zinc/05/49/01/327054901.db2.gz GLOCRNSLDLBRIQ-VIFPVBQESA-N 0 3 254.352 -1.087 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)c1cnccc1N ZINC000584172891 327057340 /nfs/dbraw/zinc/05/73/40/327057340.db2.gz JGRUHRPNIXEKIC-UHFFFAOYSA-N 0 3 277.328 -1.002 20 0 CAADHN Cn1ccnc1[C@H]1CNCCN1C(=O)COC1CNC1 ZINC000584174000 327057925 /nfs/dbraw/zinc/05/79/25/327057925.db2.gz ZRIOHUQCAOZGJM-LLVKDONJSA-N 0 3 279.344 -1.119 20 0 CAADHN Cc1cc(C)n(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(=O)n1 ZINC000569235149 327061770 /nfs/dbraw/zinc/06/17/70/327061770.db2.gz GWDLGABUXHXJJC-RYUDHWBXSA-N 0 3 294.355 -1.007 20 0 CAADHN COC(=O)CN(CCN1CCOCC1)C(=O)CN ZINC000569342218 327098681 /nfs/dbraw/zinc/09/86/81/327098681.db2.gz ZYAIHFZNSDLFFM-UHFFFAOYSA-N 0 3 259.306 -1.721 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)CNC[C@@H]1CCCO1 ZINC000564893280 327111868 /nfs/dbraw/zinc/11/18/68/327111868.db2.gz AEDAKFSZSMMPCW-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@H](NC1CC1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573267380 327131054 /nfs/dbraw/zinc/13/10/54/327131054.db2.gz GRCMTRMZFZVTSX-LSJOCFKGSA-N 0 3 266.345 -1.103 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@H]2CO[C@H](C)C2)n1 ZINC000566161866 327151966 /nfs/dbraw/zinc/15/19/66/327151966.db2.gz IUHIWYLQPHCJSR-NXEZZACHSA-N 0 3 296.375 -1.049 20 0 CAADHN CC(C(=O)N[C@@H]1CC(=O)N(C)C1=O)S(C)(=O)=O ZINC000559276421 327153085 /nfs/dbraw/zinc/15/30/85/327153085.db2.gz GTYYLIKEXKIIDB-PHDIDXHHSA-N 0 3 262.287 -1.707 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)C1(N)CCC1 ZINC000569356283 327161941 /nfs/dbraw/zinc/16/19/41/327161941.db2.gz UZQGIRHDAXNFRV-UHFFFAOYSA-N 0 3 254.334 -1.242 20 0 CAADHN CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)C1(N)CCC1 ZINC000569357235 327162323 /nfs/dbraw/zinc/16/23/23/327162323.db2.gz AVNRFHCTHBUZKC-VIFPVBQESA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)CCOC2CNC2)CCO1 ZINC000566196645 327163056 /nfs/dbraw/zinc/16/30/56/327163056.db2.gz SUYPKZNBNYQOBK-SNVBAGLBSA-N 0 3 271.317 -1.662 20 0 CAADHN NCC(F)(F)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569471554 327183005 /nfs/dbraw/zinc/18/30/05/327183005.db2.gz BIHHGRYQAATNCS-SFYZADRCSA-N 0 3 291.302 -1.466 20 0 CAADHN NCC(F)(F)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569471548 327183015 /nfs/dbraw/zinc/18/30/15/327183015.db2.gz BIHHGRYQAATNCS-HTQZYQBOSA-N 0 3 291.302 -1.466 20 0 CAADHN CN1CC[C@@H]2OCCN(C(=O)COC3CNC3)[C@@H]2C1 ZINC000569487688 327185483 /nfs/dbraw/zinc/18/54/83/327185483.db2.gz RQKWIKFYHHFVPH-NEPJUHHUSA-N 0 3 269.345 -1.094 20 0 CAADHN CN1CC[C@H]2OCCN(C(=O)COC3CNC3)[C@@H]2C1 ZINC000569487691 327185526 /nfs/dbraw/zinc/18/55/26/327185526.db2.gz RQKWIKFYHHFVPH-VXGBXAGGSA-N 0 3 269.345 -1.094 20 0 CAADHN CN1CC[C@@H]2OCCN(C(=O)COC3CNC3)[C@H]2C1 ZINC000569487690 327185647 /nfs/dbraw/zinc/18/56/47/327185647.db2.gz RQKWIKFYHHFVPH-RYUDHWBXSA-N 0 3 269.345 -1.094 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)[C@@H](C)CN1 ZINC000572599882 327196995 /nfs/dbraw/zinc/19/69/95/327196995.db2.gz SWOQWXQVPHJQDP-BDAKNGLRSA-N 0 3 253.306 -1.209 20 0 CAADHN NC(=O)NC(=O)CCN[C@H](CO)CN1CCOCC1 ZINC000566230710 327248779 /nfs/dbraw/zinc/24/87/79/327248779.db2.gz BOWHSVUHQXTHGG-VIFPVBQESA-N 0 3 274.321 -2.146 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCO[C@H](C(N)=O)C1 ZINC000559637495 327255901 /nfs/dbraw/zinc/25/59/01/327255901.db2.gz KVRHUWCCZRFXGS-MNOVXSKESA-N 0 3 275.349 -1.888 20 0 CAADHN CN1CCN(C(=O)c2ccc(C(N)=O)nc2)[C@@H](CN)C1 ZINC000574038015 327283916 /nfs/dbraw/zinc/28/39/16/327283916.db2.gz QXGFJMRDWULQQN-JTQLQIEISA-N 0 3 277.328 -1.105 20 0 CAADHN CN1C[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1=O ZINC000577887663 327286111 /nfs/dbraw/zinc/28/61/11/327286111.db2.gz ZJAVIAYFOGSQRH-UTLUCORTSA-N 0 3 280.328 -1.765 20 0 CAADHN N[C@@H](C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(F)(F)F ZINC000577963737 327291513 /nfs/dbraw/zinc/29/15/13/327291513.db2.gz MHVHBLMTBAUTJX-XVMARJQXSA-N 0 3 280.250 -1.354 20 0 CAADHN NC(C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(F)(F)F ZINC000577963737 327291516 /nfs/dbraw/zinc/29/15/16/327291516.db2.gz MHVHBLMTBAUTJX-XVMARJQXSA-N 0 3 280.250 -1.354 20 0 CAADHN O=C(CN1CCOCC1=O)NC[C@H]1CCCCN1CCO ZINC000560325532 327299437 /nfs/dbraw/zinc/29/94/37/327299437.db2.gz RJFIIFKBPMPOMG-GFCCVEGCSA-N 0 3 299.371 -1.192 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN[C@H](CO)CN(C)C)C[C@H](C)O1 ZINC000564975657 327302230 /nfs/dbraw/zinc/30/22/30/327302230.db2.gz LYEVPYIFTZYZAL-RFQIPJPRSA-N 0 3 289.420 -1.031 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN[C@@H](CO)CN(C)C)C[C@@H](C)O1 ZINC000564975652 327302275 /nfs/dbraw/zinc/30/22/75/327302275.db2.gz LYEVPYIFTZYZAL-AAVRWANBSA-N 0 3 289.420 -1.031 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)CNC(CO)CO)C[C@@H](C)O1 ZINC000564976112 327303416 /nfs/dbraw/zinc/30/34/16/327303416.db2.gz QPXXGZRMNSWGLQ-FOGDFJRCSA-N 0 3 262.350 -1.601 20 0 CAADHN CN1CCC[C@H]1CNC(=O)N1CCN(CC(N)=O)C(=O)C1 ZINC000560500383 327315688 /nfs/dbraw/zinc/31/56/88/327315688.db2.gz DEKXFGYKCINWGT-JTQLQIEISA-N 0 3 297.359 -1.580 20 0 CAADHN C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CNCCO2)CO1 ZINC000564981105 327320424 /nfs/dbraw/zinc/32/04/24/327320424.db2.gz XFDWTJILHLCIER-UTLUCORTSA-N 0 3 271.317 -1.615 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000560564736 327325010 /nfs/dbraw/zinc/32/50/10/327325010.db2.gz VQUILCBRFPONBY-KXUCPTDWSA-N 0 3 285.344 -1.022 20 0 CAADHN C[C@H](NC(=O)Cn1ncn(C)c1=O)C(=O)NCCN(C)C ZINC000560564176 327325084 /nfs/dbraw/zinc/32/50/84/327325084.db2.gz ANSGJNMRGKFODA-VIFPVBQESA-N 0 3 298.347 -2.236 20 0 CAADHN CN(C)[C@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H]1O ZINC000560636385 327332494 /nfs/dbraw/zinc/33/24/94/327332494.db2.gz ULCDIYFGAZFBBY-QWRGUYRKSA-N 0 3 265.313 -1.018 20 0 CAADHN CC(C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)S(C)(=O)=O ZINC000560637120 327332563 /nfs/dbraw/zinc/33/25/63/327332563.db2.gz VBVHIGQELUZGGG-CIUDSAMLSA-N 0 3 264.347 -1.447 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000560633262 327332700 /nfs/dbraw/zinc/33/27/00/327332700.db2.gz BNFZHMUYKHCXRD-JXUBOQSCSA-N 0 3 256.302 -1.071 20 0 CAADHN NC(C(=O)NCCCS(N)(=O)=O)C(F)(F)F ZINC000583379526 327334587 /nfs/dbraw/zinc/33/45/87/327334587.db2.gz AENKLVDRLQYDFZ-BYPYZUCNSA-N 0 3 263.241 -1.329 20 0 CAADHN CCOCCOCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583392407 327339926 /nfs/dbraw/zinc/33/99/26/327339926.db2.gz GEOWRAREVHARCA-MNOVXSKESA-N 0 3 285.344 -1.190 20 0 CAADHN CCOCCOCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583392408 327340053 /nfs/dbraw/zinc/34/00/53/327340053.db2.gz GEOWRAREVHARCA-QWRGUYRKSA-N 0 3 285.344 -1.190 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN[C@@H]2COC[C@H]2O)C[C@@H](C)O1 ZINC000578443131 327341971 /nfs/dbraw/zinc/34/19/71/327341971.db2.gz WZRSYYHTCUZEFU-SYLRKERUSA-N 0 3 274.361 -1.194 20 0 CAADHN C[C@@H]1CN(C[C@@H](O)CN[C@@H]2COC[C@H]2O)C[C@@H](C)O1 ZINC000578443132 327341998 /nfs/dbraw/zinc/34/19/98/327341998.db2.gz WZRSYYHTCUZEFU-UJPOAAIJSA-N 0 3 274.361 -1.194 20 0 CAADHN CCS(=O)(=O)NCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583408878 327348938 /nfs/dbraw/zinc/34/89/38/327348938.db2.gz QPFZTYQMROVSPC-IUCAKERBSA-N 0 3 279.362 -1.941 20 0 CAADHN C[C@H](CNC(=O)C(=O)N1CCN(C)C(=O)C1)N(C)C1CC1 ZINC000566411966 327349734 /nfs/dbraw/zinc/34/97/34/327349734.db2.gz ONERTNQRELYWBR-SNVBAGLBSA-N 0 3 296.371 -1.114 20 0 CAADHN CCN(CC)S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000579005579 327355325 /nfs/dbraw/zinc/35/53/25/327355325.db2.gz HUXVTCGLARJAGB-NXEZZACHSA-N 0 3 290.389 -1.183 20 0 CAADHN COC(=O)CNC(=O)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000574650684 327360730 /nfs/dbraw/zinc/36/07/30/327360730.db2.gz HLNMLIWQPZYSKX-SNVBAGLBSA-N 0 3 298.343 -2.218 20 0 CAADHN CC[C@H](C(=O)N1CCN(S(=O)(=O)NC)CC1)N(C)C ZINC000583445540 327370937 /nfs/dbraw/zinc/37/09/37/327370937.db2.gz QLLGBHXKYMXBFA-SNVBAGLBSA-N 0 3 292.405 -1.065 20 0 CAADHN CCN1C[C@@H](NC(=O)N2CCN(C)C[C@@H]2CN)CC1=O ZINC000561218130 327376611 /nfs/dbraw/zinc/37/66/11/327376611.db2.gz SCDNAMYQRDRMMV-QWRGUYRKSA-N 0 3 283.376 -1.109 20 0 CAADHN CC(C)(O)[C@H]1CCCN1C(=O)C(=O)NC1CNC1 ZINC000561257023 327380178 /nfs/dbraw/zinc/38/01/78/327380178.db2.gz RZGYHXAUMIWQBY-SECBINFHSA-N 0 3 255.318 -1.164 20 0 CAADHN CC(C)OC[C@@H]1CN(C(=O)C(=O)NC2CNC2)CCO1 ZINC000561257055 327380438 /nfs/dbraw/zinc/38/04/38/327380438.db2.gz UTRBTZAQGOLUTF-NSHDSACASA-N 0 3 285.344 -1.273 20 0 CAADHN CCCNC(=O)NC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566494488 327398910 /nfs/dbraw/zinc/39/89/10/327398910.db2.gz ABIJYRONMVFECU-NXEZZACHSA-N 0 3 297.359 -1.534 20 0 CAADHN CCOCCS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566497440 327399883 /nfs/dbraw/zinc/39/98/83/327399883.db2.gz ZQOKEEGDGSYKRL-VHSXEESVSA-N 0 3 291.373 -1.404 20 0 CAADHN CCOCCS(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566497442 327399928 /nfs/dbraw/zinc/39/99/28/327399928.db2.gz ZQOKEEGDGSYKRL-ZJUUUORDSA-N 0 3 291.373 -1.404 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566508690 327402902 /nfs/dbraw/zinc/40/29/02/327402902.db2.gz KYASDIDPKOKEDM-XWLWVQCSSA-N 0 3 298.343 -1.646 20 0 CAADHN CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NC2CNC2)C1 ZINC000566567046 327410850 /nfs/dbraw/zinc/41/08/50/327410850.db2.gz LQYBKTFGRZVJKW-ZETCQYMHSA-N 0 3 290.345 -2.776 20 0 CAADHN CS[C@@H](C)CNC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000562825901 327517379 /nfs/dbraw/zinc/51/73/79/327517379.db2.gz ZFVXGBNYZWZRDL-UWVGGRQHSA-N 0 3 288.417 -1.045 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCSCC2)[C@@H](CN)C1 ZINC000562961655 327530838 /nfs/dbraw/zinc/53/08/38/327530838.db2.gz KKGUPGNIIOWEQQ-JTQLQIEISA-N 0 3 286.401 -1.337 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)NCC(=O)N1CCNCC1 ZINC000569802844 327548345 /nfs/dbraw/zinc/54/83/45/327548345.db2.gz NELGVNDSRPNENR-NSHDSACASA-N 0 3 284.360 -1.697 20 0 CAADHN COCCNCC(=O)NC[C@H]1CCCN1S(C)(=O)=O ZINC000569925763 327556140 /nfs/dbraw/zinc/55/61/40/327556140.db2.gz UUBLZZMZLQCRNZ-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CNC1CC1 ZINC000570158624 327573000 /nfs/dbraw/zinc/57/30/00/327573000.db2.gz VLRMULPHVXOFQI-SNVBAGLBSA-N 0 3 282.344 -1.408 20 0 CAADHN CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)O1 ZINC000570223837 327577527 /nfs/dbraw/zinc/57/75/27/327577527.db2.gz GQPQEJWACPCWGX-YFKTTZPYSA-N 0 3 299.371 -1.245 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)N1CCOC2(CNC2)C1 ZINC000570394950 327587554 /nfs/dbraw/zinc/58/75/54/327587554.db2.gz XPZJZXJXORJCCF-NXEZZACHSA-N 0 3 271.317 -1.216 20 0 CAADHN N[C@H]1C[C@H]2CN(C(=O)[C@H]3CSCN3)CCN2C1=O ZINC000570582597 327602050 /nfs/dbraw/zinc/60/20/50/327602050.db2.gz BBNVOFMAWCCWKU-XHNCKOQMSA-N 0 3 270.358 -1.581 20 0 CAADHN N[C@H]1C[C@@H]2CN(C(=O)[C@H]3CSCN3)CCN2C1=O ZINC000570582594 327602152 /nfs/dbraw/zinc/60/21/52/327602152.db2.gz BBNVOFMAWCCWKU-HRDYMLBCSA-N 0 3 270.358 -1.581 20 0 CAADHN COC[C@@](C)(O)C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000563897834 328695463 /nfs/dbraw/zinc/69/54/63/328695463.db2.gz YMBMJJXLOKYODL-OLZOCXBDSA-N 0 3 272.345 -1.043 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NC2CNC2)C[C@@H](CO)O1 ZINC000582291321 328951241 /nfs/dbraw/zinc/95/12/41/328951241.db2.gz FCRHHSPRDDMYCR-APPZFPTMSA-N 0 3 257.290 -2.317 20 0 CAADHN CCS(=O)(=O)NCCNC[C@@H](O)Cn1cccn1 ZINC000390264826 328967216 /nfs/dbraw/zinc/96/72/16/328967216.db2.gz PJOCHZSQGVKICO-SNVBAGLBSA-N 0 3 276.362 -1.227 20 0 CAADHN CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](CN)OC)C1 ZINC000582358349 328969895 /nfs/dbraw/zinc/96/98/95/328969895.db2.gz SRIPPNJQXWVUSE-BDAKNGLRSA-N 0 3 279.362 -1.500 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)COC2CNC2)CCO1 ZINC000582494150 329095772 /nfs/dbraw/zinc/09/57/72/329095772.db2.gz PEUSGLFTCHLHEP-VIFPVBQESA-N 0 3 258.274 -1.625 20 0 CAADHN NC1(C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)CCC1 ZINC000582483854 329096183 /nfs/dbraw/zinc/09/61/83/329096183.db2.gz ITXAPLARUZEZKA-UHFFFAOYSA-N 0 3 294.355 -1.183 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN1CC[C@H](C)C1 ZINC000582586912 329112882 /nfs/dbraw/zinc/11/28/82/329112882.db2.gz QASWXKBQVZJHCG-VIFPVBQESA-N 0 3 278.378 -1.502 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N[C@@H]1CNCCC1(F)F ZINC000582605224 329115044 /nfs/dbraw/zinc/11/50/44/329115044.db2.gz JFZGTTSECRTSOL-SSDOTTSWSA-N 0 3 285.316 -1.009 20 0 CAADHN OC[C@H](CN1CCOCC1)NC[C@@H](O)Cn1cccn1 ZINC000582606264 329115294 /nfs/dbraw/zinc/11/52/94/329115294.db2.gz LZULGAKDGCBWFL-QWHCGFSZSA-N 0 3 284.360 -1.473 20 0 CAADHN OC[C@H](CN1CCOCC1)NC[C@H](O)Cn1cccn1 ZINC000582606265 329115367 /nfs/dbraw/zinc/11/53/67/329115367.db2.gz LZULGAKDGCBWFL-STQMWFEESA-N 0 3 284.360 -1.473 20 0 CAADHN OC[C@@H](CN1CCOCC1)NC[C@@H](O)Cn1cccn1 ZINC000582606262 329115399 /nfs/dbraw/zinc/11/53/99/329115399.db2.gz LZULGAKDGCBWFL-CHWSQXEVSA-N 0 3 284.360 -1.473 20 0 CAADHN Cc1nc(S(=O)(=O)[N-]C[C@H]2C[NH2+]CCN2C)cn1C ZINC000394395418 329118722 /nfs/dbraw/zinc/11/87/22/329118722.db2.gz CWESJPUVTUSYBT-SNVBAGLBSA-N 0 3 287.389 -1.090 20 0 CAADHN CN(C)CCN1C(=O)C[C@H](N2CCn3nncc3C2)C1=O ZINC000582673817 329123125 /nfs/dbraw/zinc/12/31/25/329123125.db2.gz DVAPJHBSDGDVPK-NSHDSACASA-N 0 3 292.343 -1.217 20 0 CAADHN COCCN(C)C[C@@H](O)CN1C[C@@H](O)C[C@H]1C(=O)OC ZINC000582674864 329123514 /nfs/dbraw/zinc/12/35/14/329123514.db2.gz QWVXIZFPGYNJKH-TUAOUCFPSA-N 0 3 290.360 -1.466 20 0 CAADHN CC(C)(O)CN(C(=O)C(=O)NC1CNC1)C1CC1 ZINC000582656398 329125467 /nfs/dbraw/zinc/12/54/67/329125467.db2.gz JIFQUYJOFLZSMV-UHFFFAOYSA-N 0 3 255.318 -1.164 20 0 CAADHN C[C@H](CN1CCOCC1)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582677416 329126994 /nfs/dbraw/zinc/12/69/94/329126994.db2.gz PWQRXXIYSDIIIQ-AGIUHOORSA-N 0 3 282.388 -1.049 20 0 CAADHN C[C@H](CN1CCOCC1)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582677419 329127264 /nfs/dbraw/zinc/12/72/64/329127264.db2.gz PWQRXXIYSDIIIQ-FRRDWIJNSA-N 0 3 282.388 -1.049 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000582723289 329130510 /nfs/dbraw/zinc/13/05/10/329130510.db2.gz CTYAZZDFDXBVBT-WDSKDSINSA-N 0 3 269.223 -1.151 20 0 CAADHN CNC(=O)[C@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000582723286 329130529 /nfs/dbraw/zinc/13/05/29/329130529.db2.gz CTYAZZDFDXBVBT-PHDIDXHHSA-N 0 3 269.223 -1.151 20 0 CAADHN C[C@@H](NC(=O)CN1CN=NC1=O)C(=O)NCCN(C)C ZINC000582736150 329134052 /nfs/dbraw/zinc/13/40/52/329134052.db2.gz SUUFCCOICCRSBR-MRVPVSSYSA-N 0 3 284.320 -1.834 20 0 CAADHN CC(C)NC(=O)CN(C)CC(=O)N1CCN(C)C[C@H]1CN ZINC000583083007 329311673 /nfs/dbraw/zinc/31/16/73/329311673.db2.gz HQRUKCZJTNYFRT-GFCCVEGCSA-N 0 3 299.419 -1.456 20 0 CAADHN C[C@H](NC(=O)CNC(=O)C1CC1)C(=O)NCCN(C)C ZINC000583214258 329370232 /nfs/dbraw/zinc/37/02/32/329370232.db2.gz UHQYZZTURDTNDI-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)n1nnnc1CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583215023 329370525 /nfs/dbraw/zinc/37/05/25/329370525.db2.gz LNHHBWUVNZSGTM-VHSXEESVSA-N 0 3 279.348 -1.002 20 0 CAADHN CC(C)n1nnnc1CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583215024 329370553 /nfs/dbraw/zinc/37/05/53/329370553.db2.gz LNHHBWUVNZSGTM-ZJUUUORDSA-N 0 3 279.348 -1.002 20 0 CAADHN Cn1cc(C(=O)C(=O)NC[C@@H]2CNCCN2C)cn1 ZINC000583257929 329404026 /nfs/dbraw/zinc/40/40/26/329404026.db2.gz DVNUIQKCPQRFBC-JTQLQIEISA-N 0 3 265.317 -1.377 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC(C)(C(N)=O)C2)CC1=O ZINC000583264618 329410710 /nfs/dbraw/zinc/41/07/10/329410710.db2.gz DHEKBJPUMMMIOU-JTQLQIEISA-N 0 3 296.371 -1.270 20 0 CAADHN COCCNCC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000583320218 329450622 /nfs/dbraw/zinc/45/06/22/329450622.db2.gz IGKALXWLZPSXNB-JTQLQIEISA-N 0 3 293.389 -1.285 20 0 CAADHN CN(C)CCN(CCN(C)C)C(=O)C(=O)N1CCNCC1 ZINC000583806433 329479801 /nfs/dbraw/zinc/47/98/01/329479801.db2.gz FIOFLMQHVXRECS-UHFFFAOYSA-N 0 3 299.419 -1.630 20 0 CAADHN CO[C@@H]1CCCN(C(=O)C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000583866169 329520179 /nfs/dbraw/zinc/52/01/79/329520179.db2.gz ZKURLYZMDVEUJM-NWDGAFQWSA-N 0 3 298.387 -1.275 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H](C)NC1CC1 ZINC000583868694 329522512 /nfs/dbraw/zinc/52/25/12/329522512.db2.gz IDFRVSVJSZGWNU-MWLCHTKSSA-N 0 3 296.371 -1.020 20 0 CAADHN CCOC[C@H](C)NC(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000571866782 329924756 /nfs/dbraw/zinc/92/47/56/329924756.db2.gz COIVQEXCNSQOMX-QWRGUYRKSA-N 0 3 286.376 -1.371 20 0 CAADHN O=C1c2ccccc2C(=O)N1C[C@@H](O)CNC[C@@H](O)CO ZINC000571954937 329931653 /nfs/dbraw/zinc/93/16/53/329931653.db2.gz RPIUCPMNPMRWJA-VHSXEESVSA-N 0 3 294.307 -1.414 20 0 CAADHN NC(=O)CCNCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000572114075 329945720 /nfs/dbraw/zinc/94/57/20/329945720.db2.gz BTTQGUFXLVXHCY-JTQLQIEISA-N 0 3 293.389 -1.060 20 0 CAADHN CCOC(=O)C[C@@H](C)CNC(=O)C(=O)NC1CNC1 ZINC000572228093 329958703 /nfs/dbraw/zinc/95/87/03/329958703.db2.gz GOPJRRJYGMAIKO-MRVPVSSYSA-N 0 3 271.317 -1.220 20 0 CAADHN CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CNC2)C1 ZINC000572265022 329962716 /nfs/dbraw/zinc/96/27/16/329962716.db2.gz WKTMYVBLAMHSMB-SECBINFHSA-N 0 3 283.328 -1.124 20 0 CAADHN CNC(=O)C1CN(C[C@H](O)CN(C)CCOC)C1 ZINC000572420237 330066513 /nfs/dbraw/zinc/06/65/13/330066513.db2.gz QVEOJMCDLCSCJP-LLVKDONJSA-N 0 3 259.350 -1.397 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CCN(C)C[C@@H]2CN)C1 ZINC000162507025 330063454 /nfs/dbraw/zinc/06/34/54/330063454.db2.gz QFFAMILNAGJXPN-RYUDHWBXSA-N 0 3 270.377 -1.192 20 0 CAADHN CN1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H](CN)C1 ZINC000162541732 330066190 /nfs/dbraw/zinc/06/61/90/330066190.db2.gz IZCWJOYMSBAAQM-JTQLQIEISA-N 0 3 295.343 -2.352 20 0 CAADHN CN1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H](CN)C1 ZINC000162541857 330066214 /nfs/dbraw/zinc/06/62/14/330066214.db2.gz IZCWJOYMSBAAQM-SNVBAGLBSA-N 0 3 295.343 -2.352 20 0 CAADHN CNC(=O)C1CN(C[C@@H](O)CN(C)CCOC)C1 ZINC000572420238 330066539 /nfs/dbraw/zinc/06/65/39/330066539.db2.gz QVEOJMCDLCSCJP-NSHDSACASA-N 0 3 259.350 -1.397 20 0 CAADHN N[C@@H]1C[C@@H]2CN(CC(=O)NC[C@@H]3CCCO3)CCN2C1=O ZINC000572424243 330067595 /nfs/dbraw/zinc/06/75/95/330067595.db2.gz AVOGWMPMOPFYPK-GRYCIOLGSA-N 0 3 296.371 -1.475 20 0 CAADHN N[C@@H]1C[C@H]2CN(CC(=O)NC[C@@H]3CCCO3)CCN2C1=O ZINC000572424246 330067641 /nfs/dbraw/zinc/06/76/41/330067641.db2.gz AVOGWMPMOPFYPK-SDDRHHMPSA-N 0 3 296.371 -1.475 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000580446617 330139943 /nfs/dbraw/zinc/13/99/43/330139943.db2.gz QVJDNJAHCCLVIW-UTLUCORTSA-N 0 3 272.349 -1.173 20 0 CAADHN CN1CCC[C@@H](NC[C@@H](O)CN2CCOCC2)C1=O ZINC000572834662 330842177 /nfs/dbraw/zinc/84/21/77/330842177.db2.gz UULSOUQCAJXYAA-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000575323845 335093769 /nfs/dbraw/zinc/09/37/69/335093769.db2.gz HAVGTDPFXWNALD-VIFPVBQESA-N 0 3 284.316 -2.608 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)CC2(O)CCC2)CCCO1 ZINC001200444032 782095234 /nfs/dbraw/zinc/09/52/34/782095234.db2.gz IURDKFYYFKBYTG-LLVKDONJSA-N 0 3 299.371 -1.016 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)NC[C@@H]1CNCCO1 ZINC000566193074 334634828 /nfs/dbraw/zinc/63/48/28/334634828.db2.gz UEZWVXUZPWBAAV-IVZWLZJFSA-N 0 3 259.306 -1.312 20 0 CAADHN CO[C@@H]1COC[C@H]1NC(=O)NC[C@H]1CNCCO1 ZINC000566193075 334634969 /nfs/dbraw/zinc/63/49/69/334634969.db2.gz UEZWVXUZPWBAAV-OPRDCNLKSA-N 0 3 259.306 -1.312 20 0 CAADHN COC[C@H](C)S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566496978 334652692 /nfs/dbraw/zinc/65/26/92/334652692.db2.gz WDDCXRWNTRDDQZ-AEJSXWLSSA-N 0 3 291.373 -1.405 20 0 CAADHN COC(=O)CNC(=O)CCN(C)CCNC(C)=O ZINC000575800284 335116347 /nfs/dbraw/zinc/11/63/47/335116347.db2.gz KRUWWDUOOUWDOO-UHFFFAOYSA-N 0 3 259.306 -1.266 20 0 CAADHN COCCN1CCN(C(=O)[C@H]2C[C@H](O)CN2)CC1=O ZINC000516771804 333082194 /nfs/dbraw/zinc/08/21/94/333082194.db2.gz ZQIQFWJFXXGEIZ-VHSXEESVSA-N 0 3 271.317 -1.974 20 0 CAADHN O=C(CN1CN=NC1=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000565199086 333126347 /nfs/dbraw/zinc/12/63/47/333126347.db2.gz ZRACTWLANONBPT-GFCCVEGCSA-N 0 3 281.316 -1.443 20 0 CAADHN NC(=O)[C@H](CO)NC(=S)NCCN1CCCCC1 ZINC001200440881 782095501 /nfs/dbraw/zinc/09/55/01/782095501.db2.gz WSNDFAVFDZBVHJ-VIFPVBQESA-N 0 3 274.390 -1.217 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000173205721 335129651 /nfs/dbraw/zinc/12/96/51/335129651.db2.gz CCAMLCNBLQIPNH-NSHDSACASA-N 0 3 296.371 -1.257 20 0 CAADHN COC(=O)C[C@H]1CN(C(=O)COC2CNC2)CCO1 ZINC000575920725 335131097 /nfs/dbraw/zinc/13/10/97/335131097.db2.gz LNMQGJYCHFABIN-VIFPVBQESA-N 0 3 272.301 -1.235 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ncc[nH]2)CCCO1 ZINC001200443742 782095620 /nfs/dbraw/zinc/09/56/20/782095620.db2.gz HISMIHBFUHSDSN-SECBINFHSA-N 0 3 281.316 -1.284 20 0 CAADHN COC(=O)[C@H]1COCCN1C(=O)C[C@H]1CNCCO1 ZINC000575989400 335139198 /nfs/dbraw/zinc/13/91/98/335139198.db2.gz ARUZHPFXGXUJHI-VHSXEESVSA-N 0 3 272.301 -1.235 20 0 CAADHN O=C(C[C@@H]1CSCCN1)NCCn1ncnn1 ZINC000379760786 333425462 /nfs/dbraw/zinc/42/54/62/333425462.db2.gz DIDNVSAGRYCPBD-MRVPVSSYSA-N 0 3 256.335 -1.116 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(C)C(=O)C2)CCN1C ZINC000576049754 335145818 /nfs/dbraw/zinc/14/58/18/335145818.db2.gz KLFUUHUHUWSWKJ-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN CN(C)CCOCCNC(=O)CCNS(C)(=O)=O ZINC000541528599 333778184 /nfs/dbraw/zinc/77/81/84/333778184.db2.gz NLBJGBBMTPISTL-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN CC[C@@H](C(=O)N1CCN(C(=O)CO)CC1)N(C)C ZINC000129642152 333784613 /nfs/dbraw/zinc/78/46/13/333784613.db2.gz NJFGUOUSRWOTPL-JTQLQIEISA-N 0 3 257.334 -1.010 20 0 CAADHN NCC(=O)NCC(=O)NC[C@H](N)c1ccccc1 ZINC000576157801 335161892 /nfs/dbraw/zinc/16/18/92/335161892.db2.gz QSFTYZHKRZXMJB-JTQLQIEISA-N 0 3 250.302 -1.123 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]2C(N)=O)CC1=O ZINC000073356415 333971442 /nfs/dbraw/zinc/97/14/42/333971442.db2.gz UJIGHDHJLWERBQ-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NCC(=O)N2CCCC2)C1 ZINC000545884062 334003643 /nfs/dbraw/zinc/00/36/43/334003643.db2.gz HDCNANSDPXGLEX-ZDUSSCGKSA-N 0 3 284.360 -1.025 20 0 CAADHN CN(C)CCn1ccc(C(=O)N[C@@H]2CN(C)NC2=O)n1 ZINC000565190007 334007710 /nfs/dbraw/zinc/00/77/10/334007710.db2.gz FOIJDVXIBFDDPN-SNVBAGLBSA-N 0 3 280.332 -1.480 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CCN2CCOC[C@@H]2C1 ZINC000546046750 334014593 /nfs/dbraw/zinc/01/45/93/334014593.db2.gz WORGLLKYLIWWCG-UONOGXRCSA-N 0 3 294.399 -1.081 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)c2cccc(C(N)=O)n2)C1 ZINC000546568444 334038514 /nfs/dbraw/zinc/03/85/14/334038514.db2.gz ULTKFVKWCFVIAQ-CYBMUJFWSA-N 0 3 278.312 -1.023 20 0 CAADHN CCN(CCO)CCNC(=O)CN1CCCNC1=O ZINC000546719819 334048002 /nfs/dbraw/zinc/04/80/02/334048002.db2.gz BFOJCHYOVOWQMZ-UHFFFAOYSA-N 0 3 272.349 -1.168 20 0 CAADHN C[C@H](NC(=O)[C@H]1COCCO1)C(=O)NCCN(C)C ZINC000564311871 334058107 /nfs/dbraw/zinc/05/81/07/334058107.db2.gz SRUKZMJXESHUPX-VHSXEESVSA-N 0 3 273.333 -1.416 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1COCCO1)C(=O)NCCN(C)C ZINC000564311872 334058157 /nfs/dbraw/zinc/05/81/57/334058157.db2.gz SRUKZMJXESHUPX-ZJUUUORDSA-N 0 3 273.333 -1.416 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000133921291 334071395 /nfs/dbraw/zinc/07/13/95/334071395.db2.gz FTBCCMSFITUZEA-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN CNC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000547371896 334084263 /nfs/dbraw/zinc/08/42/63/334084263.db2.gz JKFPRTLFFJNZSI-NEPJUHHUSA-N 0 3 295.387 -1.094 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2CCN(C)C2=O)C1 ZINC000547779489 334117574 /nfs/dbraw/zinc/11/75/74/334117574.db2.gz FXDOQCXNHWUMRY-JOYOIKCWSA-N 0 3 270.333 -1.417 20 0 CAADHN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)NC1CNC1 ZINC000576256163 335178544 /nfs/dbraw/zinc/17/85/44/335178544.db2.gz XBLJRFOQTXLZMF-QMMMGPOBSA-N 0 3 284.360 -1.164 20 0 CAADHN CCO[C@@H]1COCC[C@@H]1NCC(=O)N1CCNC(=O)C1 ZINC000548539122 334162508 /nfs/dbraw/zinc/16/25/08/334162508.db2.gz VUIXKQLPKHETJQ-WDEREUQCSA-N 0 3 285.344 -1.272 20 0 CAADHN CN(CCOCCO)C[C@H](O)CN1CCOCC1 ZINC000083245855 334256105 /nfs/dbraw/zinc/25/61/05/334256105.db2.gz REJXXJKGAOZDEL-LBPRGKRZSA-N 0 3 262.350 -1.380 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000552157377 334296461 /nfs/dbraw/zinc/29/64/61/334296461.db2.gz NREDSMQACLCYRU-UWVGGRQHSA-N 0 3 293.389 -1.599 20 0 CAADHN CN(C)[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)C[C@@H]1O ZINC000552157376 334296494 /nfs/dbraw/zinc/29/64/94/334296494.db2.gz NQHGBNNKMQSPMC-QWRGUYRKSA-N 0 3 278.312 -1.073 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@@H]1O ZINC000552157710 334296513 /nfs/dbraw/zinc/29/65/13/334296513.db2.gz YUOLDYUYHNYEOF-UWVGGRQHSA-N 0 3 283.328 -1.341 20 0 CAADHN O=C(NC[C@@]1(O)CN2CCC1CC2)[C@H]1COCCO1 ZINC000552210531 334303343 /nfs/dbraw/zinc/30/33/43/334303343.db2.gz IWOHSCYOXILVHW-DGCLKSJQSA-N 0 3 270.329 -1.025 20 0 CAADHN C[C@H](O)CN(C[C@@H](O)CN1CCOCC1)[C@@H](C)CO ZINC000248883955 334320700 /nfs/dbraw/zinc/32/07/00/334320700.db2.gz DOWWRUNRXQCCRF-AVGNSLFASA-N 0 3 276.377 -1.257 20 0 CAADHN C[C@H](CO)N(CCCS(N)(=O)=O)C[C@H](C)O ZINC000248950791 334322651 /nfs/dbraw/zinc/32/26/51/334322651.db2.gz POVKHPVCZBGBBF-BDAKNGLRSA-N 0 3 254.352 -1.271 20 0 CAADHN C[C@@H](O)CN(CCCS(N)(=O)=O)[C@H](C)CO ZINC000248950795 334322696 /nfs/dbraw/zinc/32/26/96/334322696.db2.gz POVKHPVCZBGBBF-RKDXNWHRSA-N 0 3 254.352 -1.271 20 0 CAADHN C[C@H](O)CN1CCN(CCNS(C)(=O)=O)[C@H](C)C1 ZINC000249039582 334325281 /nfs/dbraw/zinc/32/52/81/334325281.db2.gz MUHQHNVMWLZASP-MNOVXSKESA-N 0 3 279.406 -1.078 20 0 CAADHN C[C@H](C(=O)N1C[C@H](O)[C@@H](N(C)C)C1)n1cncn1 ZINC000552436309 334327403 /nfs/dbraw/zinc/32/74/03/334327403.db2.gz WUGQSECALUPKGJ-UTLUCORTSA-N 0 3 253.306 -1.028 20 0 CAADHN NC(=O)C(NC(=S)NCCN1CCCCC1)C(N)=O ZINC001200439678 782096175 /nfs/dbraw/zinc/09/61/75/782096175.db2.gz UERNXWDFHIATBH-UHFFFAOYSA-N 0 3 287.389 -1.724 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H]1O ZINC000552440462 334327569 /nfs/dbraw/zinc/32/75/69/334327569.db2.gz DZEMMDNTVVTDGH-UWVGGRQHSA-N 0 3 271.317 -2.022 20 0 CAADHN Cn1cc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)nn1 ZINC001200420092 782096223 /nfs/dbraw/zinc/09/62/23/782096223.db2.gz OMBLLQUFRLJEDJ-SECBINFHSA-N 0 3 296.331 -1.879 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001152776670 782096082 /nfs/dbraw/zinc/09/60/82/782096082.db2.gz AJAUISOTIBAAGU-GFCCVEGCSA-N 0 3 296.371 -1.018 20 0 CAADHN COCCN(C)CCCNC(=O)C1(S(N)(=O)=O)CC1 ZINC000552970015 334353877 /nfs/dbraw/zinc/35/38/77/334353877.db2.gz CZNGBLYSLQADIZ-UHFFFAOYSA-N 0 3 293.389 -1.108 20 0 CAADHN CN(C)CCN1CCN(C(=O)CNC(N)=O)CC1 ZINC000553454382 334386145 /nfs/dbraw/zinc/38/61/45/334386145.db2.gz BXUXQDSUBCYWHS-UHFFFAOYSA-N 0 3 257.338 -1.640 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@H](C)N1CCCC1 ZINC000564704740 334517278 /nfs/dbraw/zinc/51/72/78/334517278.db2.gz HQSNZCIQOPSHME-VIFPVBQESA-N 0 3 278.378 -1.359 20 0 CAADHN Cn1cc(C(=O)C(=O)N2CCN(C)C[C@H]2CN)cn1 ZINC000564944412 334529599 /nfs/dbraw/zinc/52/95/99/334529599.db2.gz UMBYUYNYTIWNBB-SNVBAGLBSA-N 0 3 265.317 -1.296 20 0 CAADHN CCOC(=O)C[C@@H](CO)NC[C@H](O)CN1CCOCC1 ZINC000564977378 334531550 /nfs/dbraw/zinc/53/15/50/334531550.db2.gz FNGWHJIZBGICLK-RYUDHWBXSA-N 0 3 290.360 -1.417 20 0 CAADHN CCOC(=O)C[C@H](CO)NC[C@H](O)CN1CCOCC1 ZINC000564977353 334531644 /nfs/dbraw/zinc/53/16/44/334531644.db2.gz FNGWHJIZBGICLK-NEPJUHHUSA-N 0 3 290.360 -1.417 20 0 CAADHN C[C@H](NC(=O)[C@]1(O)CCOC1)C(=O)NCCN(C)C ZINC000565206414 334544684 /nfs/dbraw/zinc/54/46/84/334544684.db2.gz SQWDRMGFWFZQQF-CABZTGNLSA-N 0 3 273.333 -1.680 20 0 CAADHN C[C@@H](NC(=O)[C@]1(O)CCOC1)C(=O)NCCN(C)C ZINC000565206416 334544833 /nfs/dbraw/zinc/54/48/33/334544833.db2.gz SQWDRMGFWFZQQF-SKDRFNHKSA-N 0 3 273.333 -1.680 20 0 CAADHN COCCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565232017 334546721 /nfs/dbraw/zinc/54/67/21/334546721.db2.gz QEFFODNSCKGZFG-NXEZZACHSA-N 0 3 270.333 -1.024 20 0 CAADHN COCCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565232020 334546847 /nfs/dbraw/zinc/54/68/47/334546847.db2.gz QEFFODNSCKGZFG-ZJUUUORDSA-N 0 3 270.333 -1.024 20 0 CAADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)N3CCCC3)CCN2C1=O ZINC000565240597 334547286 /nfs/dbraw/zinc/54/72/86/334547286.db2.gz YYSRUHLFKFPNGZ-VHSXEESVSA-N 0 3 288.373 -1.429 20 0 CAADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)N3CCCC3)CCN2C1=O ZINC000565240595 334547535 /nfs/dbraw/zinc/54/75/35/334547535.db2.gz YYSRUHLFKFPNGZ-NXEZZACHSA-N 0 3 288.373 -1.429 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](CN)OC ZINC000565833789 334601154 /nfs/dbraw/zinc/60/11/54/334601154.db2.gz FGTFELKPABHWOM-HTQZYQBOSA-N 0 3 273.289 -2.150 20 0 CAADHN CSC[C@H](O)CN[C@H](CO)CN1CCOCC1 ZINC000565833519 334601172 /nfs/dbraw/zinc/60/11/72/334601172.db2.gz HPNFBTXBGNGDKK-WDEREUQCSA-N 0 3 264.391 -1.007 20 0 CAADHN CCc1noc(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)n1 ZINC000565844923 334602799 /nfs/dbraw/zinc/60/27/99/334602799.db2.gz FLQDELGHZUXRIV-YUMQZZPRSA-N 0 3 294.315 -1.170 20 0 CAADHN COC[C@H](O)CNCCS(=O)(=O)NC(C)C ZINC000565946413 334610749 /nfs/dbraw/zinc/61/07/49/334610749.db2.gz RHZBHSRGKIIARP-SECBINFHSA-N 0 3 254.352 -1.089 20 0 CAADHN O=C(CCOC1CNC1)NCC(=O)N1CCOCC1 ZINC000566187946 334633900 /nfs/dbraw/zinc/63/39/00/334633900.db2.gz MVADINRCJJYYEC-UHFFFAOYSA-N 0 3 271.317 -1.660 20 0 CAADHN O=C(CNC(=O)c1ccccn1)NC[C@H]1CNCCO1 ZINC000566212567 334636127 /nfs/dbraw/zinc/63/61/27/334636127.db2.gz GHGPMWVSWFBNOR-SNVBAGLBSA-N 0 3 278.312 -1.084 20 0 CAADHN CCOC(=O)C[C@@H](CO)NCCC(=O)NC(N)=O ZINC000566233037 334637290 /nfs/dbraw/zinc/63/72/90/334637290.db2.gz GMLLWMFKPQJGHL-ZETCQYMHSA-N 0 3 261.278 -1.525 20 0 CAADHN CCC[C@H](O)[C@H](CO)NC[C@H](O)CN1CCN(C)CC1 ZINC000566230695 334637100 /nfs/dbraw/zinc/63/71/00/334637100.db2.gz BEXAHGNEIUGFJC-IHRRRGAJSA-N 0 3 289.420 -1.294 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCCN(C)C2=O)C[C@@H]1O ZINC000566452654 334649905 /nfs/dbraw/zinc/64/99/05/334649905.db2.gz NGIFBDDPZBZCDF-DCAQKATOSA-N 0 3 269.345 -1.012 20 0 CAADHN C[C@H](NC(=O)C(=O)NCC1CC1)C(=O)NCCN(C)C ZINC000566462792 334650715 /nfs/dbraw/zinc/65/07/15/334650715.db2.gz QPUUWAQAQIYBBU-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)=CCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566511794 334653822 /nfs/dbraw/zinc/65/38/22/334653822.db2.gz YMSWYENQHIVMSM-GHMZBOCLSA-N 0 3 294.355 -1.161 20 0 CAADHN CN(C)[C@H]1CN(C(=O)CN2CCCNC2=O)C[C@@H]1O ZINC000566570122 334655939 /nfs/dbraw/zinc/65/59/39/334655939.db2.gz FMRJOFJEILONOI-UWVGGRQHSA-N 0 3 270.333 -1.465 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCN(C)C(=O)C2)[C@H](CN)C1 ZINC000566614145 334657510 /nfs/dbraw/zinc/65/75/10/334657510.db2.gz QLMKGPDNBZOAQM-SNVBAGLBSA-N 0 3 297.359 -2.612 20 0 CAADHN CN[C@@H](C)C(=O)N1CCN(CC(=O)NCCOC)CC1 ZINC000566689447 334660671 /nfs/dbraw/zinc/66/06/71/334660671.db2.gz RPGPGDFNVHLSQS-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=O)COC2CNC2)CCO1 ZINC000567350729 334707062 /nfs/dbraw/zinc/70/70/62/334707062.db2.gz VXPIEMOHSOZRMR-VIFPVBQESA-N 0 3 257.290 -2.052 20 0 CAADHN CO[C@H](CN)C(=O)N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000567900112 334773472 /nfs/dbraw/zinc/77/34/72/334773472.db2.gz PVFDGJOAYSVPPJ-KXUCPTDWSA-N 0 3 293.389 -1.063 20 0 CAADHN COCCN1CCCN(C(=O)[C@H]2C[C@H](O)CN2)CC1=O ZINC000567909012 334774501 /nfs/dbraw/zinc/77/45/01/334774501.db2.gz XPALNNJACMRTJF-WDEREUQCSA-N 0 3 285.344 -1.584 20 0 CAADHN CNS(=O)(=O)CC(=O)N[C@H]1CNCCC1(F)F ZINC000567912768 334775186 /nfs/dbraw/zinc/77/51/86/334775186.db2.gz UEYKWQLPHBZMFH-LURJTMIESA-N 0 3 271.289 -1.351 20 0 CAADHN Cc1cnn(CC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000568267205 334810729 /nfs/dbraw/zinc/81/07/29/334810729.db2.gz CFRWPTVNPBNMCL-WDEREUQCSA-N 0 3 277.328 -1.038 20 0 CAADHN Cc1cnn(CC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000568267202 334810870 /nfs/dbraw/zinc/81/08/70/334810870.db2.gz CFRWPTVNPBNMCL-GHMZBOCLSA-N 0 3 277.328 -1.038 20 0 CAADHN COC(=O)CCNC(=O)CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000568289195 334812633 /nfs/dbraw/zinc/81/26/33/334812633.db2.gz DHZOGTLXMRDQRW-UWVGGRQHSA-N 0 3 273.333 -1.728 20 0 CAADHN CCOCCNC(=O)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568291992 334813120 /nfs/dbraw/zinc/81/31/20/334813120.db2.gz AEFHAVLJJFAAGV-NXEZZACHSA-N 0 3 298.343 -2.091 20 0 CAADHN COC[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568294238 334813609 /nfs/dbraw/zinc/81/36/09/334813609.db2.gz MVSQRLWWJJZHOY-OPRDCNLKSA-N 0 3 270.333 -1.025 20 0 CAADHN O=C(C(=O)N1CCCNCC1)N1CCN(C2CC2)C(=O)C1 ZINC000568381743 334821027 /nfs/dbraw/zinc/82/10/27/334821027.db2.gz JHXSVDWWFOADDM-UHFFFAOYSA-N 0 3 294.355 -1.359 20 0 CAADHN COC(=O)c1cn(CCNC(=O)C[C@@H]2CNCCO2)nn1 ZINC000568746222 334838714 /nfs/dbraw/zinc/83/87/14/334838714.db2.gz KBTFIDOEKPYUAH-SECBINFHSA-N 0 3 297.315 -1.441 20 0 CAADHN COC(=O)c1cn(CCNC(=O)C[C@H]2CNCCO2)nn1 ZINC000568746223 334838796 /nfs/dbraw/zinc/83/87/96/334838796.db2.gz KBTFIDOEKPYUAH-VIFPVBQESA-N 0 3 297.315 -1.441 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@H]1CC(=O)N2CCCC[C@H]12 ZINC000569215949 334861601 /nfs/dbraw/zinc/86/16/01/334861601.db2.gz DORCZXLMCWZSGY-VHSXEESVSA-N 0 3 280.328 -1.656 20 0 CAADHN CO[C@H](C)CN(C)C(=O)C(=O)N1CCN(C)C[C@@H]1CN ZINC000572868830 334885918 /nfs/dbraw/zinc/88/59/18/334885918.db2.gz IXXPGJWAMWYASL-MNOVXSKESA-N 0 3 286.376 -1.419 20 0 CAADHN COCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573104601 334908563 /nfs/dbraw/zinc/90/85/63/334908563.db2.gz SAIFSZMMRDYPME-DTWKUNHWSA-N 0 3 256.306 -1.414 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000576290629 335184899 /nfs/dbraw/zinc/18/48/99/335184899.db2.gz LLSJFPLLUYDNCB-VHSXEESVSA-N 0 3 257.334 -1.072 20 0 CAADHN CN1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)[C@@H](CN)C1 ZINC000576346816 335192424 /nfs/dbraw/zinc/19/24/24/335192424.db2.gz ZTVGDZROSCFREO-VIFPVBQESA-N 0 3 297.359 -1.582 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000576359990 335194559 /nfs/dbraw/zinc/19/45/59/335194559.db2.gz IAKKEKOSWJFQLV-WOPDTQHZSA-N 0 3 296.371 -1.523 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000576597314 335224686 /nfs/dbraw/zinc/22/46/86/335224686.db2.gz OGKYPQIEJZXULD-RKDXNWHRSA-N 0 3 272.349 -1.320 20 0 CAADHN C[C@@H](NC(=O)[C@@H](C)CC(N)=O)C(=O)NCCN(C)C ZINC000576597312 335224831 /nfs/dbraw/zinc/22/48/31/335224831.db2.gz OGKYPQIEJZXULD-DTWKUNHWSA-N 0 3 272.349 -1.320 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCSC[C@@H]1C(N)=O ZINC000576765119 335245223 /nfs/dbraw/zinc/24/52/23/335245223.db2.gz FOXRYBHGNPRXRI-GHMZBOCLSA-N 0 3 291.417 -1.172 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@@H]1O ZINC000576766002 335245637 /nfs/dbraw/zinc/24/56/37/335245637.db2.gz RSBAVTMFFPVJTJ-UTLUCORTSA-N 0 3 255.318 -1.354 20 0 CAADHN CN1CCN(C(=O)C(=O)N[C@@H](CN)C2CCCC2)CC1=O ZINC000576831205 335253357 /nfs/dbraw/zinc/25/33/57/335253357.db2.gz QAUHDTAVEBGIBE-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000576898556 335261968 /nfs/dbraw/zinc/26/19/68/335261968.db2.gz FXANXIIFEAIIMT-CIUDSAMLSA-N 0 3 258.322 -1.563 20 0 CAADHN NC(=O)NC(=O)CCNCCNC(=O)c1ccn[nH]1 ZINC000577056493 335292123 /nfs/dbraw/zinc/29/21/23/335292123.db2.gz FHJGBFWYHNKOSY-UHFFFAOYSA-N 0 3 268.277 -1.686 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)C1 ZINC000577123546 335304515 /nfs/dbraw/zinc/30/45/15/335304515.db2.gz PEYFABCSDUYHIQ-SDDRHHMPSA-N 0 3 271.361 -1.160 20 0 CAADHN CN1CCN(C(=O)C(=O)NCc2ccco2)[C@H](CN)C1 ZINC000580634403 335307328 /nfs/dbraw/zinc/30/73/28/335307328.db2.gz NBGXJQCKDXQFIB-SNVBAGLBSA-N 0 3 280.328 -1.003 20 0 CAADHN Cc1nn(C)cc1S(=O)(=O)N1CCN(C)C[C@H]1CN ZINC000577182576 335318361 /nfs/dbraw/zinc/31/83/61/335318361.db2.gz ZKLNKVIMUJVSSY-SNVBAGLBSA-N 0 3 287.389 -1.008 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCOC[C@H]1CC(N)=O ZINC000577230590 335327349 /nfs/dbraw/zinc/32/73/49/335327349.db2.gz RZGAPSJWMPBOBU-NEPJUHHUSA-N 0 3 289.376 -1.498 20 0 CAADHN CC(C)(O)CN1CCN(C(=O)C(=O)NC2CNC2)CC1 ZINC000577270386 335332612 /nfs/dbraw/zinc/33/26/12/335332612.db2.gz TZTBPZVGUGOITD-UHFFFAOYSA-N 0 3 284.360 -2.011 20 0 CAADHN O=C1CN(CCNC[C@H](O)CN2CCOCC2)CCN1 ZINC000577276158 335333455 /nfs/dbraw/zinc/33/34/55/335333455.db2.gz UFDIAKCFMYBJBS-LBPRGKRZSA-N 0 3 286.376 -2.299 20 0 CAADHN COCCN1C(=O)C[C@H](NCCN2CCOCC2)C1=O ZINC000577383784 335345852 /nfs/dbraw/zinc/34/58/52/335345852.db2.gz IKMQBQYOEVEGCI-NSHDSACASA-N 0 3 285.344 -1.318 20 0 CAADHN CC(C)[C@H](N)C(=O)N(C)CC(=O)N1CCNCC1 ZINC000577503936 335361019 /nfs/dbraw/zinc/36/10/19/335361019.db2.gz NYVXKEQYXCZVPK-NSHDSACASA-N 0 3 256.350 -1.140 20 0 CAADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)NC2CNC2)[C@@H]1OC ZINC000577593939 335375181 /nfs/dbraw/zinc/37/51/81/335375181.db2.gz JITZEHIDPMVSJR-AEJSXWLSSA-N 0 3 271.317 -1.617 20 0 CAADHN CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)COC2CNC2)O1 ZINC000577607209 335377366 /nfs/dbraw/zinc/37/73/66/335377366.db2.gz BWIKBVGQGOBBFV-GXSJLCMTSA-N 0 3 285.344 -1.273 20 0 CAADHN CNC(=O)CN1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000577611653 335377951 /nfs/dbraw/zinc/37/79/51/335377951.db2.gz ZLHLKDWSGMMDRX-NSHDSACASA-N 0 3 268.361 -1.124 20 0 CAADHN CNC(=O)CN1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000577611652 335378064 /nfs/dbraw/zinc/37/80/64/335378064.db2.gz ZLHLKDWSGMMDRX-LLVKDONJSA-N 0 3 268.361 -1.124 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CCCS2(=O)=O)[C@@H](CN)C1 ZINC000577625767 335381345 /nfs/dbraw/zinc/38/13/45/335381345.db2.gz RQLRUEYJDOWYPP-UWVGGRQHSA-N 0 3 275.374 -1.335 20 0 CAADHN CN1CCN(C(=O)[C@H]2CCCS2(=O)=O)[C@H](CN)C1 ZINC000577625766 335381481 /nfs/dbraw/zinc/38/14/81/335381481.db2.gz RQLRUEYJDOWYPP-NXEZZACHSA-N 0 3 275.374 -1.335 20 0 CAADHN COCCN(C)C[C@@H](O)CN[C@@H]1COC[C@@H]1OC ZINC000577766212 335399181 /nfs/dbraw/zinc/39/91/81/335399181.db2.gz WXHINEQKHVZPPR-TUAOUCFPSA-N 0 3 262.350 -1.071 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)N3CCOCC3)CCN2C1=O ZINC000577866878 335414438 /nfs/dbraw/zinc/41/44/38/335414438.db2.gz IBYVVZNTJBMPBU-VHSXEESVSA-N 0 3 268.317 -1.318 20 0 CAADHN N[C@@H]1C[C@H]2CN(C(=O)CN3CSCC3=O)CCN2C1=O ZINC000578248199 335592444 /nfs/dbraw/zinc/59/24/44/335592444.db2.gz YTIBSXBQYCDSGN-DTWKUNHWSA-N 0 3 298.368 -1.710 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)[C@@H](CN)OC ZINC000578324605 335607819 /nfs/dbraw/zinc/60/78/19/335607819.db2.gz PEMRVRKLPAFEMP-YIZRAAEISA-N 0 3 260.290 -1.515 20 0 CAADHN COCCS(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000578379542 335623585 /nfs/dbraw/zinc/62/35/85/335623585.db2.gz BWISPOFNSVUHEF-RKDXNWHRSA-N 0 3 277.346 -1.794 20 0 CAADHN N[C@H]1C[C@H]2CN(Cc3nnnn3C3CC3)CCN2C1=O ZINC000578523930 335645448 /nfs/dbraw/zinc/64/54/48/335645448.db2.gz VTWZQRRFEQMDAP-UWVGGRQHSA-N 0 3 277.332 -1.248 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCCN(CC(F)F)CC1 ZINC000578610576 335653512 /nfs/dbraw/zinc/65/35/12/335653512.db2.gz DBROFRZARITZRQ-UHFFFAOYSA-N 0 3 290.314 -1.126 20 0 CAADHN CO[C@H](CN)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000578648021 335659109 /nfs/dbraw/zinc/65/91/09/335659109.db2.gz VRZPOYZKWJNIEL-MRVPVSSYSA-N 0 3 255.278 -1.771 20 0 CAADHN CCN1C[C@@H](C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1=O ZINC000578764512 335672331 /nfs/dbraw/zinc/67/23/31/335672331.db2.gz LITTZCBGGDHQEV-DCAQKATOSA-N 0 3 269.345 -1.012 20 0 CAADHN CCC[C@H](N)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000578767427 335672622 /nfs/dbraw/zinc/67/26/22/335672622.db2.gz UTLANZFJJZXLDR-GUBZILKMSA-N 0 3 254.334 -1.116 20 0 CAADHN CCC[C@H](N)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000578767430 335672832 /nfs/dbraw/zinc/67/28/32/335672832.db2.gz UTLANZFJJZXLDR-UTLUCORTSA-N 0 3 254.334 -1.116 20 0 CAADHN CN(CCN)C(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000578770286 335673260 /nfs/dbraw/zinc/67/32/60/335673260.db2.gz NXNMIJNEWZMVGS-SNVBAGLBSA-N 0 3 292.343 -1.094 20 0 CAADHN COCCn1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)nn1 ZINC000578905535 335688323 /nfs/dbraw/zinc/68/83/23/335688323.db2.gz HJBUDZOJNWPUJH-QWRGUYRKSA-N 0 3 283.332 -1.329 20 0 CAADHN COCCN(C)S(=O)(=O)NC[C@@H]1CNCCN1C ZINC000579109246 335710063 /nfs/dbraw/zinc/71/00/63/335710063.db2.gz XGVRBJKJJUGVRD-JTQLQIEISA-N 0 3 280.394 -1.697 20 0 CAADHN CN(C)C(=O)NCCN(C)C(=O)COC1CNC1 ZINC000579233952 335724729 /nfs/dbraw/zinc/72/47/29/335724729.db2.gz BKFSTHUSEIEFEZ-UHFFFAOYSA-N 0 3 258.322 -1.296 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CNC1CC1 ZINC000579355602 335738681 /nfs/dbraw/zinc/73/86/81/335738681.db2.gz NHFBXGVJMHCLTM-SECBINFHSA-N 0 3 269.301 -1.372 20 0 CAADHN CO[C@H]1CN(C(=O)C(=O)NC2CNC2)CC[C@H]1C ZINC000579454132 335760550 /nfs/dbraw/zinc/76/05/50/335760550.db2.gz MPXLGIVWEAMHDS-SCZZXKLOSA-N 0 3 255.318 -1.042 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)NC2CNC2)CC[C@@H]1C ZINC000579454133 335760637 /nfs/dbraw/zinc/76/06/37/335760637.db2.gz MPXLGIVWEAMHDS-WCBMZHEXSA-N 0 3 255.318 -1.042 20 0 CAADHN C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000579609812 335821806 /nfs/dbraw/zinc/82/18/06/335821806.db2.gz JSSUMBGSPZRLDQ-QTKMDUPCSA-N 0 3 299.371 -1.605 20 0 CAADHN C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000579609810 335821864 /nfs/dbraw/zinc/82/18/64/335821864.db2.gz JSSUMBGSPZRLDQ-NUGNTBJXSA-N 0 3 299.371 -1.605 20 0 CAADHN CN1CCN(C[C@@H](O)CN[C@@H]2CC(=O)N(C3CC3)C2)CC1 ZINC000579827397 335899613 /nfs/dbraw/zinc/89/96/13/335899613.db2.gz NBSFIRALCMJAHP-OCCSQVGLSA-N 0 3 296.415 -1.052 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000579852521 335908786 /nfs/dbraw/zinc/90/87/86/335908786.db2.gz OWFBKPSBKPQEJV-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN Cn1ccc(=O)n(CCCNC(=O)C(C)(C)N)c1=O ZINC000580832323 335972233 /nfs/dbraw/zinc/97/22/33/335972233.db2.gz WWZCSVOFTLRVLD-UHFFFAOYSA-N 0 3 268.317 -1.209 20 0 CAADHN CN1CCN(C(=O)C(=O)N[C@@H]2CCSC2)[C@@H](CN)C1 ZINC000580882584 335978903 /nfs/dbraw/zinc/97/89/03/335978903.db2.gz DMSMRUOLWDBNHR-ZJUUUORDSA-N 0 3 286.401 -1.291 20 0 CAADHN NC(=O)NCC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000580884531 335978925 /nfs/dbraw/zinc/97/89/25/335978925.db2.gz KLENGZZULJGKHW-UHFFFAOYSA-N 0 3 299.375 -1.237 20 0 CAADHN CN(C)[C@H]1CN(CC(=O)N2CCNC2=O)C[C@@H]1O ZINC000580960871 335989908 /nfs/dbraw/zinc/98/99/08/335989908.db2.gz YDOSNVFESGXWHF-IUCAKERBSA-N 0 3 256.306 -1.855 20 0 CAADHN COC(=O)c1cn(CCNC(=O)C(C)(C)N)nn1 ZINC000581189988 336021831 /nfs/dbraw/zinc/02/18/31/336021831.db2.gz OIYQHHXBLKFLBR-UHFFFAOYSA-N 0 3 255.278 -1.082 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C[C@H]1CNCCO1 ZINC000581193736 336022479 /nfs/dbraw/zinc/02/24/79/336022479.db2.gz RJMZVKIMNUMOSS-VHSXEESVSA-N 0 3 299.327 -1.745 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)C[C@@H]1CNCCO1 ZINC000581193737 336022566 /nfs/dbraw/zinc/02/25/66/336022566.db2.gz RJMZVKIMNUMOSS-ZJUUUORDSA-N 0 3 299.327 -1.745 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCOC[C@@H]1C(=O)OC ZINC000380793406 336030039 /nfs/dbraw/zinc/03/00/39/336030039.db2.gz JAJNXMFXBCVGJC-VXGBXAGGSA-N 0 3 290.360 -1.201 20 0 CAADHN COCCN(C)C[C@@H](O)CN1CCOC[C@H]1C(=O)OC ZINC000380793389 336030163 /nfs/dbraw/zinc/03/01/63/336030163.db2.gz JAJNXMFXBCVGJC-NEPJUHHUSA-N 0 3 290.360 -1.201 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCOC[C@@H]1C(=O)OC ZINC000380793396 336030181 /nfs/dbraw/zinc/03/01/81/336030181.db2.gz JAJNXMFXBCVGJC-NWDGAFQWSA-N 0 3 290.360 -1.201 20 0 CAADHN C[C@H](O)C[C@H]1CCCN1C(=O)C(=O)NC1CNC1 ZINC000581300696 336041760 /nfs/dbraw/zinc/04/17/60/336041760.db2.gz NJWJNWUJROXMJN-WCBMZHEXSA-N 0 3 255.318 -1.164 20 0 CAADHN C[C@@H](O)C[C@@H]1CCCN1C(=O)C(=O)NC1CNC1 ZINC000581300695 336041787 /nfs/dbraw/zinc/04/17/87/336041787.db2.gz NJWJNWUJROXMJN-SCZZXKLOSA-N 0 3 255.318 -1.164 20 0 CAADHN C[C@H](O)C[C@@H]1CCCN1C(=O)C(=O)NC1CNC1 ZINC000581300697 336041828 /nfs/dbraw/zinc/04/18/28/336041828.db2.gz NJWJNWUJROXMJN-WPRPVWTQSA-N 0 3 255.318 -1.164 20 0 CAADHN CNS(=O)(=O)CCCN[C@@H]1COC[C@H]1OC ZINC000581367994 336062208 /nfs/dbraw/zinc/06/22/08/336062208.db2.gz FCIFPOIUBCPENJ-RKDXNWHRSA-N 0 3 252.336 -1.071 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)C(N)C(F)(F)F ZINC000581426076 336075291 /nfs/dbraw/zinc/07/52/91/336075291.db2.gz FAUKSYPPVVTMES-MRVPVSSYSA-N 0 3 282.266 -1.234 20 0 CAADHN CC(C)(C)C(=O)NCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000581559125 336103212 /nfs/dbraw/zinc/10/32/12/336103212.db2.gz NLVPHVYZFGVJDU-ZJUUUORDSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)(C)C(=O)NCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581559123 336103224 /nfs/dbraw/zinc/10/32/24/336103224.db2.gz NLVPHVYZFGVJDU-UWVGGRQHSA-N 0 3 296.371 -1.081 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCO[C@@H](COCC2CC2)C1 ZINC000581598188 336109409 /nfs/dbraw/zinc/10/94/09/336109409.db2.gz GZQRHDCLRPWAEF-GFCCVEGCSA-N 0 3 297.355 -1.272 20 0 CAADHN CO[C@H](CN)C(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 ZINC000581602894 336110211 /nfs/dbraw/zinc/11/02/11/336110211.db2.gz YZMYYUJKFYUYHA-HBNTYKKESA-N 0 3 257.334 -1.108 20 0 CAADHN COCCN(C)C[C@H](O)CN1C[C@H](O)C[C@@H]1C(=O)OC ZINC000383916568 336119187 /nfs/dbraw/zinc/11/91/87/336119187.db2.gz QWVXIZFPGYNJKH-GRYCIOLGSA-N 0 3 290.360 -1.466 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC[C@H]1CCCN1C ZINC000581673870 336126344 /nfs/dbraw/zinc/12/63/44/336126344.db2.gz QPTOVNWJZCXUSS-MRVPVSSYSA-N 0 3 264.351 -1.749 20 0 CAADHN NCC(=O)NCC(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000581823274 336147492 /nfs/dbraw/zinc/14/74/92/336147492.db2.gz WMWBGZJZXVERDP-UHFFFAOYSA-N 0 3 292.343 -1.495 20 0 CAADHN CC[C@@H](N)C(=O)NCCn1cc(C(=O)OC)nn1 ZINC000581882869 336158816 /nfs/dbraw/zinc/15/88/16/336158816.db2.gz RORIKAFMQIXXCU-SSDOTTSWSA-N 0 3 255.278 -1.082 20 0 CAADHN CC(C)[C@@H](N)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000581895859 336162371 /nfs/dbraw/zinc/16/23/71/336162371.db2.gz RIOYHDZNIDMRTB-LPEHRKFASA-N 0 3 254.334 -1.260 20 0 CAADHN CC(C)[C@@H](N)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000581895860 336162510 /nfs/dbraw/zinc/16/25/10/336162510.db2.gz RIOYHDZNIDMRTB-OPRDCNLKSA-N 0 3 254.334 -1.260 20 0 CAADHN N[C@@H](C(=O)NCC(=O)N1CCNCC1)C1CCC1 ZINC000581942769 336173590 /nfs/dbraw/zinc/17/35/90/336173590.db2.gz SPODUJWOHPGQCB-LLVKDONJSA-N 0 3 254.334 -1.338 20 0 CAADHN Cn1ccc(S(=O)(=O)[N-]CCCN2CC[NH2+]CC2)n1 ZINC000582006086 336189876 /nfs/dbraw/zinc/18/98/76/336189876.db2.gz YWYBPBFFXDPZTP-UHFFFAOYSA-N 0 3 287.389 -1.006 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cnco2)CCCO1 ZINC001201096162 782100640 /nfs/dbraw/zinc/10/06/40/782100640.db2.gz GSPZAHUVNGOTCD-VIFPVBQESA-N 0 3 282.300 -1.019 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2CCNC2=O)CCCO1 ZINC001201147814 782100905 /nfs/dbraw/zinc/10/09/05/782100905.db2.gz RGAXAMIFDWEXFY-ZJUUUORDSA-N 0 3 298.343 -2.185 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CCCO1 ZINC001201203685 782101550 /nfs/dbraw/zinc/10/15/50/782101550.db2.gz CWJDUVYEHKRQCD-DCQANWLSSA-N 0 3 297.355 -1.429 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C2(C(N)=O)CC2)CCCO1 ZINC001201292960 782101885 /nfs/dbraw/zinc/10/18/85/782101885.db2.gz JEARDIBYIAIMHW-VIFPVBQESA-N 0 3 298.343 -2.056 20 0 CAADHN CN(C)C(=O)CNC[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201291888 782101926 /nfs/dbraw/zinc/10/19/26/782101926.db2.gz BJARBVNOOJUMQW-VIFPVBQESA-N 0 3 286.332 -2.233 20 0 CAADHN Cn1nnc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)n1 ZINC001201187262 782102006 /nfs/dbraw/zinc/10/20/06/782102006.db2.gz OJDSJPCOKOXGGJ-MRVPVSSYSA-N 0 3 297.319 -2.484 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201292498 782102040 /nfs/dbraw/zinc/10/20/40/782102040.db2.gz GURNEHSJMIDABE-QMMMGPOBSA-N 0 3 272.305 -2.575 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cccc(C(N)=O)n1 ZINC001152856572 782102128 /nfs/dbraw/zinc/10/21/28/782102128.db2.gz NMPMRZITIXOVRC-QMMMGPOBSA-N 0 3 293.327 -1.366 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201302520 782103280 /nfs/dbraw/zinc/10/32/80/782103280.db2.gz SEABQHRMAOGZFC-SSDOTTSWSA-N 0 3 258.278 -2.836 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1CCCO[C@@H](CNCCF)C1 ZINC001201270113 782103848 /nfs/dbraw/zinc/10/38/48/782103848.db2.gz XZUJDKJRRZPIKF-UWVGGRQHSA-N 0 3 288.323 -1.156 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001201302528 782104007 /nfs/dbraw/zinc/10/40/07/782104007.db2.gz SEABQHRMAOGZFC-ZETCQYMHSA-N 0 3 258.278 -2.836 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)Cc2cnc[nH]2)CCCO1 ZINC001201483694 782105359 /nfs/dbraw/zinc/10/53/59/782105359.db2.gz NUNZJIVAQAVDLT-NSHDSACASA-N 0 3 295.343 -1.355 20 0 CAADHN COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC[C@H](O)CO ZINC001252073691 782105373 /nfs/dbraw/zinc/10/53/73/782105373.db2.gz PLSUIPIZBICPHP-GUBZILKMSA-N 0 3 274.317 -1.518 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2ccnnc2)CCCO1 ZINC001201482354 782105477 /nfs/dbraw/zinc/10/54/77/782105477.db2.gz HHGPXLIOVNDVPR-NSHDSACASA-N 0 3 293.327 -1.217 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2ccnnc2)CCCO1 ZINC001201482350 782105520 /nfs/dbraw/zinc/10/55/20/782105520.db2.gz HHGPXLIOVNDVPR-LLVKDONJSA-N 0 3 293.327 -1.217 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCCO1 ZINC001201412068 782105740 /nfs/dbraw/zinc/10/57/40/782105740.db2.gz VSHQVFVPTYLLJI-BBBLOLIVSA-N 0 3 298.343 -2.200 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2n[nH]cc2F)CCCO1 ZINC001201351608 782105748 /nfs/dbraw/zinc/10/57/48/782105748.db2.gz SMFXURADWJSKSZ-QMMMGPOBSA-N 0 3 299.306 -1.145 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2nc[nH]n2)CCCO1 ZINC001201659911 782106638 /nfs/dbraw/zinc/10/66/38/782106638.db2.gz UQGLGTHUMDCFGR-MRVPVSSYSA-N 0 3 282.304 -1.889 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cccnn2)CCCO1 ZINC001201703714 782107461 /nfs/dbraw/zinc/10/74/61/782107461.db2.gz YVLVSFMKNAAEQH-JTQLQIEISA-N 0 3 293.327 -1.217 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)CCCO1 ZINC001200547099 782096351 /nfs/dbraw/zinc/09/63/51/782096351.db2.gz MFZQAGCTGTVIDQ-WDMOLILDSA-N 0 3 297.355 -1.285 20 0 CAADHN CNC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]n2)CCCO1 ZINC001200865917 782098225 /nfs/dbraw/zinc/09/82/25/782098225.db2.gz NMRJXNANRVVDAZ-VIFPVBQESA-N 0 3 296.331 -1.629 20 0 CAADHN NC(=O)CNC[C@H]1CN(C(=O)c2cn[nH]n2)CCCO1 ZINC001200866781 782099207 /nfs/dbraw/zinc/09/92/07/782099207.db2.gz XHJYJFJCAKVSAL-QMMMGPOBSA-N 0 3 282.304 -1.889 20 0 CAADHN CCOC[C@@H](O)CN[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001252051052 782099791 /nfs/dbraw/zinc/09/97/91/782099791.db2.gz TYTLELJSELNCMW-QWRGUYRKSA-N 0 3 289.376 -1.010 20 0 CAADHN Cn1ccc(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)n1 ZINC001202056673 782110188 /nfs/dbraw/zinc/11/01/88/782110188.db2.gz ASKJDYFDBZASQX-SNVBAGLBSA-N 0 3 295.343 -1.274 20 0 CAADHN CNC(=O)CCCCC(=O)NCCNCC(N)=O ZINC001153053667 782114111 /nfs/dbraw/zinc/11/41/11/782114111.db2.gz XDTPBEUUOSERGD-UHFFFAOYSA-N 0 3 258.322 -1.516 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001110624631 782114438 /nfs/dbraw/zinc/11/44/38/782114438.db2.gz SRNDJIQQUJCOGL-UTUOFQBUSA-N 0 3 299.371 -1.147 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001110631809 782114596 /nfs/dbraw/zinc/11/45/96/782114596.db2.gz OYKNDRASDVRSGK-BBBLOLIVSA-N 0 3 270.333 -1.371 20 0 CAADHN COC(=O)[C@H](O)CN[C@H](C(=O)N1CCOCC1)C(C)C ZINC001252441960 782115137 /nfs/dbraw/zinc/11/51/37/782115137.db2.gz OQBQOFNWIIPCHY-MNOVXSKESA-N 0 3 288.344 -1.007 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114317501 782116786 /nfs/dbraw/zinc/11/67/86/782116786.db2.gz WXDSZXXZPDILPI-SVDPJWKOSA-N 0 3 285.344 -1.824 20 0 CAADHN COCC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114366007 782118524 /nfs/dbraw/zinc/11/85/24/782118524.db2.gz IVTVOCZOXHFRKX-IWIIMEHWSA-N 0 3 285.344 -1.870 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CCCC(N)=O)C1=O ZINC001153461313 782116999 /nfs/dbraw/zinc/11/69/99/782116999.db2.gz KNNPCKOOQVWJLO-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114320762 782117399 /nfs/dbraw/zinc/11/73/99/782117399.db2.gz ZXHXNYKWGRPETQ-SVDPJWKOSA-N 0 3 269.345 -1.060 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001114374023 782118456 /nfs/dbraw/zinc/11/84/56/782118456.db2.gz LZPIGAQVKMZPDJ-LOKLDPHHSA-N 0 3 295.343 -2.150 20 0 CAADHN CN(CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)C(=O)C1CC1 ZINC001114366411 782118563 /nfs/dbraw/zinc/11/85/63/782118563.db2.gz QXLJZZOLIFFWCF-PJXYFTJBSA-N 0 3 281.356 -1.107 20 0 CAADHN O=C(COC[C@@H]1CCCO1)NCCN[C@@H]1CCNC1=O ZINC001153672695 782120307 /nfs/dbraw/zinc/12/03/07/782120307.db2.gz GDENHGNGXBZUCQ-WDEREUQCSA-N 0 3 285.344 -1.224 20 0 CAADHN CN(C)[C@H](C(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21)C1CC1 ZINC001114409439 782120360 /nfs/dbraw/zinc/12/03/60/782120360.db2.gz LDCHNAHIEHHZLJ-YGNMPJRFSA-N 0 3 280.372 -1.142 20 0 CAADHN CC(C)C(=O)NCCN(C)S(=O)(=O)C1CNC1 ZINC000923631431 782122519 /nfs/dbraw/zinc/12/25/19/782122519.db2.gz FIJFRXNTUYCCAF-UHFFFAOYSA-N 0 3 263.363 -1.008 20 0 CAADHN CC(C)C(=O)NCCN(C)S(=O)(=O)N1CCNCC1 ZINC000923632578 782123081 /nfs/dbraw/zinc/12/30/81/782123081.db2.gz NXBLLFBWJJSAEH-UHFFFAOYSA-N 0 3 292.405 -1.160 20 0 CAADHN CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923633105 782123163 /nfs/dbraw/zinc/12/31/63/782123163.db2.gz RGWNTRXWTYIIOA-MRVPVSSYSA-N 0 3 297.402 -1.698 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153886840 782124109 /nfs/dbraw/zinc/12/41/09/782124109.db2.gz JVIHAIQGAFZTIY-YUMQZZPRSA-N 0 3 284.316 -2.121 20 0 CAADHN C[C@H](O)CN1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001274046116 782130275 /nfs/dbraw/zinc/13/02/75/782130275.db2.gz CFHVMKSYIBNWCN-NSHDSACASA-N 0 3 271.361 -1.158 20 0 CAADHN CN1CCN(C)CCN(C(=S)NCC(N)=O)CC1 ZINC000899654936 582121098 /nfs/dbraw/zinc/12/10/98/582121098.db2.gz XTOVQYRAEAAUSD-UHFFFAOYSA-N 0 3 273.406 -1.475 20 0 CAADHN CCN1C[C@H](C(=O)NCCN(C)CCO)CC1=O ZINC000899729319 582121949 /nfs/dbraw/zinc/12/19/49/582121949.db2.gz DSIAZXJJTCOCHO-SNVBAGLBSA-N 0 3 257.334 -1.105 20 0 CAADHN CN(CCO)CCNC(=O)CN1CCCS1(=O)=O ZINC000899731913 582122440 /nfs/dbraw/zinc/12/24/40/582122440.db2.gz PUIWGIJHAAYSSD-UHFFFAOYSA-N 0 3 279.362 -1.938 20 0 CAADHN CC(=O)NCCN1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001274001315 782131512 /nfs/dbraw/zinc/13/15/12/782131512.db2.gz ZWYKHEWNODVJNN-UHFFFAOYSA-N 0 3 298.387 -1.403 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@]2(CCN(C[C@H](C)O)C2)OCC1=O ZINC001274046614 782131304 /nfs/dbraw/zinc/13/13/04/782131304.db2.gz GDZNBMXJWRQTQP-MISXGVKJSA-N 0 3 299.371 -1.066 20 0 CAADHN CCNC(=O)CN1C[C@]2(CCN(C[C@@H](C)O)C2)OCC1=O ZINC001274047296 782132905 /nfs/dbraw/zinc/13/29/05/782132905.db2.gz NRBCSFBZNAJXIO-BXUZGUMPSA-N 0 3 299.371 -1.193 20 0 CAADHN CCNC(=O)CN1C[C@@]2(CCN(C[C@@H](C)O)C2)OCC1=O ZINC001274047298 782132576 /nfs/dbraw/zinc/13/25/76/782132576.db2.gz NRBCSFBZNAJXIO-RISCZKNCSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)CCN1C[C@]2(CC1=O)COCCN(CC(N)=O)C2 ZINC001274062261 782132619 /nfs/dbraw/zinc/13/26/19/782132619.db2.gz NZUNGPVPEVTQMD-CQSZACIVSA-N 0 3 298.387 -1.416 20 0 CAADHN CN(C)CCN1C[C@@]2(F)CN(CC(N)=O)C[C@@]2(F)C1=O ZINC001274061837 782133472 /nfs/dbraw/zinc/13/34/72/782133472.db2.gz ISIYKHNVGFJHHS-NWDGAFQWSA-N 0 3 290.314 -1.392 20 0 CAADHN NC(=O)CN1CC[C@]2(CCN(C[C@@H]3CCC(=O)N3)C2=O)C1 ZINC001274062400 782133523 /nfs/dbraw/zinc/13/35/23/782133523.db2.gz XGTZRBJPAXWEIW-HZMBPMFUSA-N 0 3 294.355 -1.325 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@]2(CCN(CC(N)=O)C2)C1=O ZINC001274061170 782133591 /nfs/dbraw/zinc/13/35/91/782133591.db2.gz ARWRXGBTICVIME-NOZJJQNGSA-N 0 3 282.344 -1.340 20 0 CAADHN CON(C)C(=O)CCNC[C@@H]1CC(C(N)=O)=NO1 ZINC000819253102 582131506 /nfs/dbraw/zinc/13/15/06/582131506.db2.gz MIJRBUFHTFZEDC-ZETCQYMHSA-N 0 3 258.278 -1.384 20 0 CAADHN NC(=O)CN1CC[C@]2(CCN(C[C@H]3CCC(=O)N3)C2=O)C1 ZINC001274062405 782134108 /nfs/dbraw/zinc/13/41/08/782134108.db2.gz XGTZRBJPAXWEIW-YGRLFVJLSA-N 0 3 294.355 -1.325 20 0 CAADHN CN(C)CCN1C[C@]2(CCN(CC(N)=O)C2)OCC1=O ZINC001274062730 782134324 /nfs/dbraw/zinc/13/43/24/782134324.db2.gz WCDDWEFRFSGQMZ-CYBMUJFWSA-N 0 3 284.360 -1.663 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@]2(CCN(CC(N)=O)C2)C1=O ZINC001274061175 782134238 /nfs/dbraw/zinc/13/42/38/782134238.db2.gz ARWRXGBTICVIME-TVQRCGJNSA-N 0 3 282.344 -1.340 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@]2(CCN(CC(N)=O)C2)C1=O ZINC001274061177 782134479 /nfs/dbraw/zinc/13/44/79/782134479.db2.gz ARWRXGBTICVIME-ZANVPECISA-N 0 3 282.344 -1.340 20 0 CAADHN CCNC(=O)CN1CC[C@@]2(CCN(CC(N)=O)C2)C1=O ZINC001274062824 782134872 /nfs/dbraw/zinc/13/48/72/782134872.db2.gz YNURNTWDXKJUIA-CYBMUJFWSA-N 0 3 282.344 -1.468 20 0 CAADHN CN(C)CCN1C[C@@]2(CCN(CC(N)=O)C2)OCC1=O ZINC001274062731 782134767 /nfs/dbraw/zinc/13/47/67/782134767.db2.gz WCDDWEFRFSGQMZ-ZDUSSCGKSA-N 0 3 284.360 -1.663 20 0 CAADHN CCNC(=O)CN1CC[C@]2(CCN(CC(=O)NC)C2)C1=O ZINC001274072343 782135540 /nfs/dbraw/zinc/13/55/40/782135540.db2.gz CHLAMLMZICJPNT-AWEZNQCLSA-N 0 3 296.371 -1.207 20 0 CAADHN CNC(=O)CN1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001274072736 782135718 /nfs/dbraw/zinc/13/57/18/782135718.db2.gz GWBXZPHISKNKQK-UHFFFAOYSA-N 0 3 284.360 -1.793 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@]2(CCN(CC(=O)NC)C2)C1=O ZINC001274072978 782135624 /nfs/dbraw/zinc/13/56/24/782135624.db2.gz JBGQBODNKXISTI-YGRLFVJLSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2C[C@@H](O)CN2)C1=O ZINC000262443067 519666994 /nfs/dbraw/zinc/66/69/94/519666994.db2.gz TVDZAXXLXWTTHG-HLTSFMKQSA-N 0 3 269.301 -1.639 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@]2(CCN(CC(=O)NC)C2)C1=O ZINC001274072977 782135773 /nfs/dbraw/zinc/13/57/73/782135773.db2.gz JBGQBODNKXISTI-QMTHXVAHSA-N 0 3 296.371 -1.079 20 0 CAADHN CCS(=O)(=O)NCCOC(=O)C1CCN(C)C1=O ZINC000772510846 582153299 /nfs/dbraw/zinc/15/32/99/582153299.db2.gz VPCJBDWKGLMFJJ-QMMMGPOBSA-N 0 3 278.330 -1.053 20 0 CAADHN CNC(=O)[C@@H]1CN(C(=S)NCCN(C)C)CCO1 ZINC000781548685 582158222 /nfs/dbraw/zinc/15/82/22/582158222.db2.gz DUJDMNBAQZAQQD-VIFPVBQESA-N 0 3 274.390 -1.131 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1CCC(=O)NC1 ZINC001274152665 782136663 /nfs/dbraw/zinc/13/66/63/782136663.db2.gz GQFHOTZZIOGOMW-WZQADMAKSA-N 0 3 296.371 -1.091 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NC/C=C\CN[C@H](C)C(N)=O ZINC001274153504 782136918 /nfs/dbraw/zinc/13/69/18/782136918.db2.gz LUPACNVRDOXAHP-XLMCQVRKSA-N 0 3 298.387 -1.157 20 0 CAADHN CCN(C(=O)C(C)S(C)(=O)=O)[C@@H]1CC(=O)NC1=O ZINC000265133145 520014231 /nfs/dbraw/zinc/01/42/31/520014231.db2.gz ACHBFMKREVGEPM-RNFRBKRXSA-N 0 3 276.314 -1.317 20 0 CAADHN CCNC(=O)CN[C@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001274178681 782137468 /nfs/dbraw/zinc/13/74/68/782137468.db2.gz CAVPLVCLGJWRLV-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1C ZINC001274178682 782137569 /nfs/dbraw/zinc/13/75/69/782137569.db2.gz CAVPLVCLGJWRLV-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN O=S(=O)(C[C@H]1CCCO1)N1CCNCCNCC1 ZINC000923690272 782138187 /nfs/dbraw/zinc/13/81/87/782138187.db2.gz FEOBPODAFRHBBP-LLVKDONJSA-N 0 3 277.390 -1.010 20 0 CAADHN COCCCS(=O)(=O)N1CCNCCNCC1 ZINC000923690342 782139525 /nfs/dbraw/zinc/13/95/25/782139525.db2.gz GWWLNMJOTPAUKM-UHFFFAOYSA-N 0 3 265.379 -1.153 20 0 CAADHN CCn1nncc1CNCCCNC(=O)Cn1cnnn1 ZINC001154502976 782141282 /nfs/dbraw/zinc/14/12/82/782141282.db2.gz MCXHQBLAKNTIQX-UHFFFAOYSA-N 0 3 293.335 -1.419 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001274325329 782143381 /nfs/dbraw/zinc/14/33/81/782143381.db2.gz MPLFQYGNHLGBLC-UMCURTJPSA-N 0 3 296.371 -1.009 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@@H]1CCNC1=O)C(=O)N(C)C ZINC001274263242 782142170 /nfs/dbraw/zinc/14/21/70/782142170.db2.gz ORTKLRAREWAKRQ-NNOMMRTBSA-N 0 3 296.371 -1.139 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001274325327 782143468 /nfs/dbraw/zinc/14/34/68/782143468.db2.gz MPLFQYGNHLGBLC-LWTINBJPSA-N 0 3 296.371 -1.009 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)c1c[nH]c(=O)n1C)C(N)=O ZINC001274262993 782142450 /nfs/dbraw/zinc/14/24/50/782142450.db2.gz LGXCJHRWKKHDQF-MPJRPATESA-N 0 3 281.316 -1.125 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001274325330 782144118 /nfs/dbraw/zinc/14/41/18/782144118.db2.gz MPLFQYGNHLGBLC-YEZKRMTDSA-N 0 3 296.371 -1.009 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@]1(C)CCNC1=O ZINC001274359710 782145515 /nfs/dbraw/zinc/14/55/15/782145515.db2.gz GVVYBELDNKUHDC-OCWBNZRBSA-N 0 3 296.371 -1.091 20 0 CAADHN CNC(=O)CNC/C=C\CNC(=O)CCN1CCOCC1 ZINC001274438286 782146698 /nfs/dbraw/zinc/14/66/98/782146698.db2.gz GRBMMTZJURSRDA-IHWYPQMZSA-N 0 3 298.387 -1.283 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C/CNC(=O)c1cnn(C)n1 ZINC001274439320 782147024 /nfs/dbraw/zinc/14/70/24/782147024.db2.gz SQNDAAVYQXVHTE-MOVJSRMASA-N 0 3 280.332 -1.175 20 0 CAADHN Cn1nncc1CNCC1(O)CCN(C(=O)C(N)=O)CC1 ZINC001274549963 782150088 /nfs/dbraw/zinc/15/00/88/782150088.db2.gz ILSQXCKPRMZLGL-UHFFFAOYSA-N 0 3 296.331 -2.257 20 0 CAADHN C[C@@H](NC/C=C/CNC(=O)Cn1ccccc1=O)C(N)=O ZINC001274568044 782150973 /nfs/dbraw/zinc/15/09/73/782150973.db2.gz OJGQOHGYOHEOFE-PGLGOXFNSA-N 0 3 292.339 -1.016 20 0 CAADHN C[C@@H](NC/C=C\CNC(=O)Cn1ccccc1=O)C(N)=O ZINC001274568043 782151641 /nfs/dbraw/zinc/15/16/41/782151641.db2.gz OJGQOHGYOHEOFE-DLRQAJBASA-N 0 3 292.339 -1.016 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@]2(CCN(C[C@H](C)O)C2)OCC1=O ZINC001274559198 782150298 /nfs/dbraw/zinc/15/02/98/782150298.db2.gz GDZNBMXJWRQTQP-COPLHBTASA-N 0 3 299.371 -1.066 20 0 CAADHN CCN1CCO[C@H](C(=O)NC/C=C/CN[C@@H](C)C(N)=O)C1 ZINC001274598725 782152748 /nfs/dbraw/zinc/15/27/48/782152748.db2.gz DHDDLLOMXFEPES-XMXMHJJKSA-N 0 3 298.387 -1.157 20 0 CAADHN COC(=O)[C@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2C1COC1 ZINC001274606345 782153028 /nfs/dbraw/zinc/15/30/28/782153028.db2.gz ZPAUVEZCXKMUIZ-IJLUTSLNSA-N 0 3 298.339 -1.016 20 0 CAADHN COC[C@@H](O)CN1CC[C@]2(C1)CN(C)C(=O)CO2 ZINC001274643752 782154539 /nfs/dbraw/zinc/15/45/39/782154539.db2.gz VTZPFELITZIUPL-CMPLNLGQSA-N 0 3 258.318 -1.073 20 0 CAADHN C[C@H](CNCCS(C)(=O)=O)NC(=O)[C@H]1COCCO1 ZINC001274686896 782154631 /nfs/dbraw/zinc/15/46/31/782154631.db2.gz VBJYZJMYJPHNCU-NXEZZACHSA-N 0 3 294.373 -1.459 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@@H]1CCCN1C(N)=O)C(N)=O ZINC001274641207 782154659 /nfs/dbraw/zinc/15/46/59/782154659.db2.gz JJCXUMQLSMQONK-AQHVTNBVSA-N 0 3 297.359 -1.335 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)NC(=O)Cn1cccn1 ZINC001274678510 782154764 /nfs/dbraw/zinc/15/47/64/782154764.db2.gz IFBXGVYZYSCDEI-ZJUUUORDSA-N 0 3 265.317 -1.134 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)Cn1cccn1 ZINC001274678505 782154917 /nfs/dbraw/zinc/15/49/17/782154917.db2.gz IFBXGVYZYSCDEI-NXEZZACHSA-N 0 3 265.317 -1.134 20 0 CAADHN CCS(=O)(=O)CCNC(=O)CCOC1CNC1 ZINC000818499716 582176119 /nfs/dbraw/zinc/17/61/19/582176119.db2.gz DHXQWXJISMDULL-UHFFFAOYSA-N 0 3 264.347 -1.084 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000819838467 582178200 /nfs/dbraw/zinc/17/82/00/582178200.db2.gz ZLXACTPWJWUEQY-SECBINFHSA-N 0 3 258.322 -1.512 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CCC(=O)N1C ZINC000825527933 582189009 /nfs/dbraw/zinc/18/90/09/582189009.db2.gz UROMIVUKHAFBIM-SNVBAGLBSA-N 0 3 257.334 -1.010 20 0 CAADHN CCO[C@@H](CNC(=O)CS(=O)(=O)NC)CN(C)C ZINC000831737063 582203455 /nfs/dbraw/zinc/20/34/55/582203455.db2.gz BITYJLUMXDICLM-VIFPVBQESA-N 0 3 281.378 -1.382 20 0 CAADHN CCNCC(=O)NCCN1CCN(C(C)=O)CC1 ZINC000844171533 582216332 /nfs/dbraw/zinc/21/63/32/582216332.db2.gz KKFOWCQIJBQGGL-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCN1CCOCC1 ZINC000854467828 582234405 /nfs/dbraw/zinc/23/44/05/582234405.db2.gz YIDMJZWDSAWCNY-LLVKDONJSA-N 0 3 259.350 -1.253 20 0 CAADHN C[NH2+]CC[N-]C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000857764650 582239301 /nfs/dbraw/zinc/23/93/01/582239301.db2.gz WAYMZHVQAORKGE-UHFFFAOYSA-N 0 3 265.260 -1.184 20 0 CAADHN CCCS(=O)(=O)CCN(CCN)C[C@H](O)CO ZINC000852753744 582230634 /nfs/dbraw/zinc/23/06/34/582230634.db2.gz HLPMDDVLMSVOLK-JTQLQIEISA-N 0 3 268.379 -1.575 20 0 CAADHN CN1CCN(S(=O)(=O)N=S(C)(C)=O)[C@H](CN)C1 ZINC000866741970 582254094 /nfs/dbraw/zinc/25/40/94/582254094.db2.gz KASLKTDKVQMJID-MRVPVSSYSA-N 0 3 284.407 -1.467 20 0 CAADHN CN(C)CCCS(=O)(=O)NCCN(C)CCO ZINC000885804369 582277980 /nfs/dbraw/zinc/27/79/80/582277980.db2.gz KGARFRAENZMRFM-UHFFFAOYSA-N 0 3 267.395 -1.218 20 0 CAADHN Cc1cc(C(=O)N[C@H](C)CNCC(N)=O)n(C)n1 ZINC001274694726 782156463 /nfs/dbraw/zinc/15/64/63/782156463.db2.gz WHNTZPHDVUPMHW-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN Cc1nn(C)cc1C(=O)N[C@H](C)CNCC(N)=O ZINC001274708830 782156724 /nfs/dbraw/zinc/15/67/24/782156724.db2.gz KFJRZRWTKLVNTN-SSDOTTSWSA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@H](NC(=O)[C@H]1NC(=O)O[C@H]1C)C(=O)NCCN(C)C ZINC000496065628 533736280 /nfs/dbraw/zinc/73/62/80/533736280.db2.gz LUYNLZWCNOSKPX-CIUDSAMLSA-N 0 3 286.332 -1.334 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000420028923 533787124 /nfs/dbraw/zinc/78/71/24/533787124.db2.gz MVZUDDFAAPYVPQ-QMMMGPOBSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC(=O)N1C ZINC000420063433 533816307 /nfs/dbraw/zinc/81/63/07/533816307.db2.gz NHKUXWWFEAKGKZ-WPRPVWTQSA-N 0 3 282.344 -1.471 20 0 CAADHN COC(=O)N(C)CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000496130090 533842545 /nfs/dbraw/zinc/84/25/45/533842545.db2.gz RGMANUCEAKHERS-DTWKUNHWSA-N 0 3 284.316 -1.545 20 0 CAADHN COC(=O)N(C)CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000496130083 533842607 /nfs/dbraw/zinc/84/26/07/533842607.db2.gz RGMANUCEAKHERS-BDAKNGLRSA-N 0 3 284.316 -1.545 20 0 CAADHN COC(=O)N(C)CC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000495752851 533845877 /nfs/dbraw/zinc/84/58/77/533845877.db2.gz CEJIVTDVXYBWSW-IUCAKERBSA-N 0 3 259.306 -1.182 20 0 CAADHN COC(=O)N(C)CC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000495321895 533853408 /nfs/dbraw/zinc/85/34/08/533853408.db2.gz JUQPTPLMWAKNEK-NSHDSACASA-N 0 3 259.306 -1.133 20 0 CAADHN COC(=O)N(C)CC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000496054504 533866706 /nfs/dbraw/zinc/86/67/06/533866706.db2.gz VSLUYBMLUHKUOW-UHFFFAOYSA-N 0 3 297.319 -1.149 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)c1cnn(C)c1N ZINC001274733287 782157498 /nfs/dbraw/zinc/15/74/98/782157498.db2.gz RCBGOSCCQQXNNX-ZCFIWIBFSA-N 0 3 254.294 -1.805 20 0 CAADHN COC(=O)N1CC(NC(=O)C(=O)N2CCCC[C@H]2CN)C1 ZINC000496647359 533899232 /nfs/dbraw/zinc/89/92/32/533899232.db2.gz GAVGZSRVAGPFQY-JTQLQIEISA-N 0 3 298.343 -1.107 20 0 CAADHN Cc1c(CC(=O)N[C@H](C)CNCC(N)=O)cnn1C ZINC001274780645 782159055 /nfs/dbraw/zinc/15/90/55/782159055.db2.gz DUDCJIMPRLYEHV-MRVPVSSYSA-N 0 3 267.333 -1.149 20 0 CAADHN C[C@H](CNCCF)NC(=O)CN(C)S(C)(=O)=O ZINC001274780708 782159358 /nfs/dbraw/zinc/15/93/58/782159358.db2.gz HEEFTPLOAGOZLB-MRVPVSSYSA-N 0 3 269.342 -1.058 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cnnn1C ZINC001274740239 782158237 /nfs/dbraw/zinc/15/82/37/782158237.db2.gz PILYZBLJIKJZHW-HTQZYQBOSA-N 0 3 268.321 -1.343 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cnnn1C ZINC001274740240 782158393 /nfs/dbraw/zinc/15/83/93/782158393.db2.gz PILYZBLJIKJZHW-SFYZADRCSA-N 0 3 268.321 -1.343 20 0 CAADHN COC(=O)N1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1 ZINC000497101218 533983902 /nfs/dbraw/zinc/98/39/02/533983902.db2.gz KHKKUOLHGYFBMY-SNVBAGLBSA-N 0 3 298.343 -1.250 20 0 CAADHN COC(=O)N1CCN(C(=O)C(=O)N[C@@H](CN)C2CC2)CC1 ZINC000497101216 533984426 /nfs/dbraw/zinc/98/44/26/533984426.db2.gz KHKKUOLHGYFBMY-JTQLQIEISA-N 0 3 298.343 -1.250 20 0 CAADHN C[C@H]1CNCCN1C(=O)C(=O)N(C)CCN(C)C ZINC000423612851 534007626 /nfs/dbraw/zinc/00/76/26/534007626.db2.gz UYIYFESBWFHPDU-JTQLQIEISA-N 0 3 256.350 -1.173 20 0 CAADHN COC(=O)NC(C)(C)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000496749015 534011345 /nfs/dbraw/zinc/01/13/45/534011345.db2.gz ADLFZOODMNZILC-DTWKUNHWSA-N 0 3 298.343 -1.109 20 0 CAADHN C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)N(C)CCN)CC1=O ZINC000419180081 534035945 /nfs/dbraw/zinc/03/59/45/534035945.db2.gz FLKHWRIUMKRNFG-KXUCPTDWSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)N(C)CCN)CC1=O ZINC000419180082 534040279 /nfs/dbraw/zinc/04/02/79/534040279.db2.gz FLKHWRIUMKRNFG-OPRDCNLKSA-N 0 3 282.344 -1.471 20 0 CAADHN COC(=O)NCC(=O)Nc1nc(N2CCNCC2)n[nH]1 ZINC000496356766 534046638 /nfs/dbraw/zinc/04/66/38/534046638.db2.gz FDQUIGFBPHMRPW-UHFFFAOYSA-N 0 3 283.292 -1.491 20 0 CAADHN C[C@H](CN1CCN(C)CC1)NC(=O)CN1CCNCC1=O ZINC000431029940 534058683 /nfs/dbraw/zinc/05/86/83/534058683.db2.gz IEGGOLACJFEKME-GFCCVEGCSA-N 0 3 297.403 -1.830 20 0 CAADHN C[C@H](CNCCF)NC(=O)CCNS(C)(=O)=O ZINC001274780816 782159845 /nfs/dbraw/zinc/15/98/45/782159845.db2.gz LHFWDLNDIKIHFY-MRVPVSSYSA-N 0 3 269.342 -1.011 20 0 CAADHN C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000427583013 534077317 /nfs/dbraw/zinc/07/73/17/534077317.db2.gz KXCPHXWTIDHSBM-SFYZADRCSA-N 0 3 254.290 -1.348 20 0 CAADHN C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CN1CC(=O)[N-]C1=O ZINC000427583011 534091542 /nfs/dbraw/zinc/09/15/42/534091542.db2.gz KXCPHXWTIDHSBM-HTQZYQBOSA-N 0 3 254.290 -1.348 20 0 CAADHN COC(=O)NCCCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000497177636 534091550 /nfs/dbraw/zinc/09/15/50/534091550.db2.gz KXNRWVDTJUJHOL-UWVGGRQHSA-N 0 3 298.343 -1.107 20 0 CAADHN COC(=O)NCCCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000497177638 534092304 /nfs/dbraw/zinc/09/23/04/534092304.db2.gz KXNRWVDTJUJHOL-ZJUUUORDSA-N 0 3 298.343 -1.107 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCNC(=O)C2)CCN1C ZINC000347977764 534097104 /nfs/dbraw/zinc/09/71/04/534097104.db2.gz OUMKAUOSPOFCNH-UWVGGRQHSA-N 0 3 282.344 -1.456 20 0 CAADHN C[C@@H](CO)N1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000347243664 534125510 /nfs/dbraw/zinc/12/55/10/534125510.db2.gz UVBAEXFIHGHQRT-JTQLQIEISA-N 0 3 283.332 -1.101 20 0 CAADHN C[C@@H]1NCCN(C(=O)CN2CCNCC2=O)[C@H]1C ZINC000434668761 534126275 /nfs/dbraw/zinc/12/62/75/534126275.db2.gz COFJDCHLYGKEDL-UWVGGRQHSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@@H](CO)N1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000347134202 534128340 /nfs/dbraw/zinc/12/83/40/534128340.db2.gz OGJZGZDCQLTDLU-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN C[C@@H]1OC(=O)N[C@H]1C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000496239501 534142109 /nfs/dbraw/zinc/14/21/09/534142109.db2.gz PHZFPJFIERYIIV-XSPKLOCKSA-N 0 3 257.290 -1.383 20 0 CAADHN C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000420061428 534158452 /nfs/dbraw/zinc/15/84/52/534158452.db2.gz LMLZGFVRNDQQPE-WCBMZHEXSA-N 0 3 282.344 -1.471 20 0 CAADHN COC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000495755268 534159040 /nfs/dbraw/zinc/15/90/40/534159040.db2.gz UZASZXXTSNBKRF-BDAKNGLRSA-N 0 3 288.348 -1.087 20 0 CAADHN C[C@@H]1OCCN[C@H]1C(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000344468688 534164636 /nfs/dbraw/zinc/16/46/36/534164636.db2.gz IBBQBXBWQPOXGJ-QJPTWQEYSA-N 0 3 298.387 -1.181 20 0 CAADHN C[C@@H]1OCCN[C@@H]1C(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000344468691 534165321 /nfs/dbraw/zinc/16/53/21/534165321.db2.gz IBBQBXBWQPOXGJ-TUAOUCFPSA-N 0 3 298.387 -1.181 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1c[nH]c(=O)cn1 ZINC001274893824 782160675 /nfs/dbraw/zinc/16/06/75/782160675.db2.gz CDQDVGIKZPPPLO-RQJHMYQMSA-N 0 3 267.289 -1.648 20 0 CAADHN C[C@@H](N)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000261936572 534287040 /nfs/dbraw/zinc/28/70/40/534287040.db2.gz ZOKQQGRTUYIYKI-MRVPVSSYSA-N 0 3 281.403 -1.172 20 0 CAADHN COC(=O)c1cn(CCNC(=O)[C@@H]2C[C@@H]2N)nn1 ZINC000424185852 534303295 /nfs/dbraw/zinc/30/32/95/534303295.db2.gz QJNQUXCBLOIMMO-RQJHMYQMSA-N 0 3 253.262 -1.472 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCNCC2=O)[C@H](C)CN1 ZINC000237421884 534304622 /nfs/dbraw/zinc/30/46/22/534304622.db2.gz MGUBAWXAKXFRER-NXEZZACHSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@@H]1CN(C(=O)COC2CNC2)CCS1(=O)=O ZINC000430396259 534305800 /nfs/dbraw/zinc/30/58/00/534305800.db2.gz SQAKQXLJCFTJHW-MRVPVSSYSA-N 0 3 262.331 -1.380 20 0 CAADHN C[C@@H]1CN(C(=O)NCCN2CCNC(=O)C2)[C@H](C)CN1 ZINC000333658910 534312374 /nfs/dbraw/zinc/31/23/74/534312374.db2.gz WTAMPOXGYCVTQC-GHMZBOCLSA-N 0 3 283.376 -1.190 20 0 CAADHN O=C(NCCN1C(=O)CCC1=O)[C@H]1C[C@H](F)CN1 ZINC000446342424 534317852 /nfs/dbraw/zinc/31/78/52/534317852.db2.gz QAQLYRVHTPEUFW-JGVFFNPUSA-N 0 3 257.265 -1.048 20 0 CAADHN CS[C@@H](C)CNC(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000562825902 518174586 /nfs/dbraw/zinc/17/45/86/518174586.db2.gz ZFVXGBNYZWZRDL-VHSXEESVSA-N 0 3 288.417 -1.045 20 0 CAADHN O=C(NCCN1CCOCC1)[C@H]1CN2CCN1CCC2 ZINC000367147983 534339624 /nfs/dbraw/zinc/33/96/24/534339624.db2.gz ISKGOMAZPAAOLU-CYBMUJFWSA-N 0 3 282.388 -1.175 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NCCNC(=O)[C@H]1CCNC1=O ZINC001293038201 782160990 /nfs/dbraw/zinc/16/09/90/782160990.db2.gz AABDOIJZGBDRSM-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CC(C)N(C)C(=O)[C@@H](C)NC[C@@H](C)NC(=O)C(N)=O ZINC001274906538 782161106 /nfs/dbraw/zinc/16/11/06/782161106.db2.gz DFWOXXCWPSAHCC-RKDXNWHRSA-N 0 3 272.349 -1.179 20 0 CAADHN OC[C@@H]1CC[C@@H](CO)N1C[C@H](O)CN1CCOCC1 ZINC000347291673 534384342 /nfs/dbraw/zinc/38/43/42/534384342.db2.gz BLBXGPPVVSSCPC-RWMBFGLXSA-N 0 3 274.361 -1.503 20 0 CAADHN NC(=O)NC(=O)CN1CC[C@@H](CN2CCOCC2)C1 ZINC000129267298 534384763 /nfs/dbraw/zinc/38/47/63/534384763.db2.gz IMSBPTLSVZGQNR-JTQLQIEISA-N 0 3 270.333 -1.165 20 0 CAADHN O=C(CCN1CCN2C(=O)NC[C@H]2C1)N1CCNCC1 ZINC000091753241 534404131 /nfs/dbraw/zinc/40/41/31/534404131.db2.gz JPZRUFKCQUDQOA-NSHDSACASA-N 0 3 281.360 -1.482 20 0 CAADHN O=C(CCN1C[C@@H](O)[C@@H](O)C1)NC(=O)NCC(F)(F)F ZINC000444705299 534415911 /nfs/dbraw/zinc/41/59/11/534415911.db2.gz LNXDOBLZZRGDGW-KNVOCYPGSA-N 0 3 299.249 -1.198 20 0 CAADHN CC(C)[N@H+](C)CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000111594446 519619213 /nfs/dbraw/zinc/61/92/13/519619213.db2.gz HBENTUBIQOPQLP-UHFFFAOYSA-N 0 3 256.306 -1.005 20 0 CAADHN CC(C)[N@@H+](C)CCNC(=O)CN1CC(=O)[N-]C1=O ZINC000111594446 519619218 /nfs/dbraw/zinc/61/92/18/519619218.db2.gz HBENTUBIQOPQLP-UHFFFAOYSA-N 0 3 256.306 -1.005 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](CNC(=O)CNC[C@H]2CCCO2)O1 ZINC000430844016 534438743 /nfs/dbraw/zinc/43/87/43/534438743.db2.gz HYPYPQFHXKEHSM-MXWKQRLJSA-N 0 3 285.344 -1.096 20 0 CAADHN CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2)C1=O ZINC000262443070 519667170 /nfs/dbraw/zinc/66/71/70/519667170.db2.gz TVDZAXXLXWTTHG-VGMNWLOBSA-N 0 3 269.301 -1.639 20 0 CAADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)C2(N)CC2)CC1 ZINC000150796652 519700026 /nfs/dbraw/zinc/70/00/26/519700026.db2.gz NNEGJWQUBNVQFC-UHFFFAOYSA-N 0 3 282.344 -1.327 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N(C)CC(=O)N(C)C ZINC000126105269 519817064 /nfs/dbraw/zinc/81/70/64/519817064.db2.gz BWGAGMQWSNGTMI-NSHDSACASA-N 0 3 272.349 -1.368 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCNC(=O)[C@@H]1C ZINC000126337886 519817115 /nfs/dbraw/zinc/81/71/15/519817115.db2.gz OZBLKHZSNQCZAI-WPRPVWTQSA-N 0 3 270.333 -1.567 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N(CC(N)=O)C(C)C ZINC000126123076 519817226 /nfs/dbraw/zinc/81/72/26/519817226.db2.gz BCZPBTHTBHVUGV-NSHDSACASA-N 0 3 272.349 -1.192 20 0 CAADHN NC(=O)[C@H]1CCCN1CCCNC(=O)C[C@H]1CNCCO1 ZINC000430900288 534454743 /nfs/dbraw/zinc/45/47/43/534454743.db2.gz PGUWBFPIHDYCCH-NWDGAFQWSA-N 0 3 298.387 -1.179 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)C[C@@H]2CSCCN2)CCO1 ZINC000434870116 534459143 /nfs/dbraw/zinc/45/91/43/534459143.db2.gz AWUJCKBEPLKPTD-RKDXNWHRSA-N 0 3 273.358 -1.206 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCO1 ZINC000430278263 534459485 /nfs/dbraw/zinc/45/94/85/534459485.db2.gz PNLFWUCKDDMGKI-VHSXEESVSA-N 0 3 271.317 -1.532 20 0 CAADHN NC(=O)[C@H]1CN(C(=O)C(N)C(F)(F)F)CCO1 ZINC000353184134 534460594 /nfs/dbraw/zinc/46/05/94/534460594.db2.gz PNHWJKBRRYNJPN-RFZPGFLSSA-N 0 3 255.196 -1.411 20 0 CAADHN CCN(C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000264907589 520226557 /nfs/dbraw/zinc/22/65/57/520226557.db2.gz MWMCZRGSKKNBDN-UHFFFAOYSA-N 0 3 270.289 -1.525 20 0 CAADHN CCOC(=O)C(NC(=O)[C@H](CN)OC)C(=O)OCC ZINC000289477486 520433101 /nfs/dbraw/zinc/43/31/01/520433101.db2.gz DZCGYLQQMMQJHU-ZETCQYMHSA-N 0 3 276.289 -1.429 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)Cc1ncc[nH]1 ZINC001274967859 782162367 /nfs/dbraw/zinc/16/23/67/782162367.db2.gz OMHFMNMUYVGXDS-MRVPVSSYSA-N 0 3 253.306 -1.208 20 0 CAADHN CCN(CC)CC(=O)N1CCN(C(=O)CN)CC1 ZINC000236838270 520571082 /nfs/dbraw/zinc/57/10/82/520571082.db2.gz JPULRMABBINJHC-UHFFFAOYSA-N 0 3 256.350 -1.042 20 0 CAADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC)CC1 ZINC000340619587 520572541 /nfs/dbraw/zinc/57/25/41/520572541.db2.gz ZPBGBRYIQMUKNG-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN O=C(NC1(CO)CCN(CCCO)CC1)[C@H]1CCNC1=O ZINC001274924889 782162470 /nfs/dbraw/zinc/16/24/70/782162470.db2.gz YRLYZXGDHBBPTM-NSHDSACASA-N 0 3 299.371 -1.552 20 0 CAADHN O=C(CN1CC(=O)[N-]C1=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435243765 534515382 /nfs/dbraw/zinc/51/53/82/534515382.db2.gz AIKGRIRNACTKOP-VIFPVBQESA-N 0 3 266.301 -1.109 20 0 CAADHN CCC[C@@H](O)CNc1nc(NCCO)nc(NC(C)C)n1 ZINC000340014403 520797026 /nfs/dbraw/zinc/79/70/26/520797026.db2.gz KWHBIQBXOJTSOY-SNVBAGLBSA-N 0 3 298.391 -1.065 20 0 CAADHN CCN(C)C(C)(C)C(=O)N1CC(N(C)C(=O)C(N)=O)C1 ZINC001299401985 782162530 /nfs/dbraw/zinc/16/25/30/782162530.db2.gz UUXWYQOOKGBRPE-UHFFFAOYSA-N 0 3 284.360 -1.129 20 0 CAADHN O=C(CN1CCNCC1=O)N[C@@H]1CCN(C2CC2)C1 ZINC000431039048 534538339 /nfs/dbraw/zinc/53/83/39/534538339.db2.gz GMDVZVSYBBORRP-SNVBAGLBSA-N 0 3 266.345 -1.229 20 0 CAADHN O=C(CN1CCOCC1=O)NC[C@H](O)CN1CCCCC1 ZINC000344534080 534542338 /nfs/dbraw/zinc/54/23/38/534542338.db2.gz IJIRQCNNQPNUST-LBPRGKRZSA-N 0 3 299.371 -1.192 20 0 CAADHN O=C(CN1CCOCC1=O)NC[C@@H](O)CN1CCCCC1 ZINC000344534079 534542695 /nfs/dbraw/zinc/54/26/95/534542695.db2.gz IJIRQCNNQPNUST-GFCCVEGCSA-N 0 3 299.371 -1.192 20 0 CAADHN NCC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000490093299 534574091 /nfs/dbraw/zinc/57/40/91/534574091.db2.gz SXWTTZOAJHRUGT-UHFFFAOYSA-N 0 3 284.316 -2.525 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@](C)(O)CN(C)C ZINC000340298069 521670777 /nfs/dbraw/zinc/67/07/77/521670777.db2.gz MJXVNOOXUHFUHP-JTQLQIEISA-N 0 3 281.378 -1.646 20 0 CAADHN CCS(=O)(=O)NCC(=O)NC[C@@H](C)N(C)C ZINC000340072479 521671208 /nfs/dbraw/zinc/67/12/08/521671208.db2.gz IVBJVIWTPVAZLR-MRVPVSSYSA-N 0 3 251.352 -1.008 20 0 CAADHN C[C@H](CNCc1cnn(C)n1)NC(=O)c1nc[nH]n1 ZINC001274963060 782162733 /nfs/dbraw/zinc/16/27/33/782162733.db2.gz KVNLYASODJQHNO-SSDOTTSWSA-N 0 3 264.293 -1.159 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cnon1 ZINC001274962614 782162741 /nfs/dbraw/zinc/16/27/41/782162741.db2.gz CYDQMQOGFKPCTQ-RQJHMYQMSA-N 0 3 255.278 -1.088 20 0 CAADHN CCN1CC[C@H]2OCCN(Cc3nc(N)nc(N)n3)[C@@H]2C1 ZINC000339388859 521723065 /nfs/dbraw/zinc/72/30/65/521723065.db2.gz JUTLPDHAXGSVQO-NXEZZACHSA-N 0 3 293.375 -1.008 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)[C@@H](CN)OC)CC1 ZINC000227364430 521737377 /nfs/dbraw/zinc/73/73/77/521737377.db2.gz VLKAITOBNIEZGM-SNVBAGLBSA-N 0 3 272.349 -1.760 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)[C@H](CN)OC)CC1 ZINC000227364437 521737382 /nfs/dbraw/zinc/73/73/82/521737382.db2.gz VLKAITOBNIEZGM-JTQLQIEISA-N 0 3 272.349 -1.760 20 0 CAADHN CCNC(=O)N1CCN(C(=O)[C@@H](CN)OC)CC1 ZINC000227363047 521739788 /nfs/dbraw/zinc/73/97/88/521739788.db2.gz AUBBUDCKKRMHAH-SECBINFHSA-N 0 3 258.322 -1.166 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](O)C2)CC1=O ZINC000332736478 521772247 /nfs/dbraw/zinc/77/22/47/521772247.db2.gz WKSDXRVKYCMKDG-WDEREUQCSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](O)C2)CC1=O ZINC000332736468 521772782 /nfs/dbraw/zinc/77/27/82/521772782.db2.gz WKSDXRVKYCMKDG-GHMZBOCLSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C)CCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000265027722 521776405 /nfs/dbraw/zinc/77/64/05/521776405.db2.gz FXXDODXZVIOIHJ-UHFFFAOYSA-N 0 3 256.262 -1.915 20 0 CAADHN O=C(CNCC1CC1)NCC(=O)NCCN1CCOCC1 ZINC000431064210 534590914 /nfs/dbraw/zinc/59/09/14/534590914.db2.gz IGCYCNTVJNIWJU-UHFFFAOYSA-N 0 3 298.387 -1.449 20 0 CAADHN COCC[C@@H](N)C(=O)Nc1cnn(CC(N)=O)c1 ZINC000052792260 521831270 /nfs/dbraw/zinc/83/12/70/521831270.db2.gz ZWQYUFYFEPCTME-MRVPVSSYSA-N 0 3 255.278 -1.329 20 0 CAADHN CC[C@@H](C(=O)NCCN1C(=O)CNC1=O)N(C)C ZINC000126527134 521837984 /nfs/dbraw/zinc/83/79/84/521837984.db2.gz OOJJGYRXJDKEOH-QMMMGPOBSA-N 0 3 256.306 -1.005 20 0 CAADHN O=C(CNC[C@@H]1CCCO1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000430062123 534594044 /nfs/dbraw/zinc/59/40/44/534594044.db2.gz TXQPIJZWJVFXAJ-MNOVXSKESA-N 0 3 282.344 -1.009 20 0 CAADHN CNCC(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000237191406 521959802 /nfs/dbraw/zinc/95/98/02/521959802.db2.gz USAPXLHWCNTVPC-UHFFFAOYSA-N 0 3 270.333 -1.599 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1COCCN1 ZINC000252550283 534601003 /nfs/dbraw/zinc/60/10/03/534601003.db2.gz ONLJAMWXWXAIMC-IJLUTSLNSA-N 0 3 269.345 -1.046 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CNCCO1 ZINC000091668001 534602146 /nfs/dbraw/zinc/60/21/46/534602146.db2.gz ZYIVUGIDTLTXGV-TUAOUCFPSA-N 0 3 269.345 -1.046 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1COCCN1 ZINC000091668216 534602439 /nfs/dbraw/zinc/60/24/39/534602439.db2.gz ONLJAMWXWXAIMC-UTUOFQBUSA-N 0 3 269.345 -1.046 20 0 CAADHN CN(C)[C@@H]1CCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)C1 ZINC000264818288 522038154 /nfs/dbraw/zinc/03/81/54/522038154.db2.gz CWGDABDGKJXORZ-SECBINFHSA-N 0 3 296.327 -1.040 20 0 CAADHN O=C(COC1CNC1)NCCNC(=O)c1cccnc1 ZINC000430757024 534609485 /nfs/dbraw/zinc/60/94/85/534609485.db2.gz DWWGFWQIXBLFCA-UHFFFAOYSA-N 0 3 278.312 -1.084 20 0 CAADHN O=C(COC1CNC1)NCCCN1CCOC1=O ZINC000496114998 534609805 /nfs/dbraw/zinc/60/98/05/534609805.db2.gz NIIRCHXBAVTCNE-UHFFFAOYSA-N 0 3 257.290 -1.067 20 0 CAADHN O=C(COC1CNC1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496083843 534609821 /nfs/dbraw/zinc/60/98/21/534609821.db2.gz GYROFGFXNGGCPX-SCZZXKLOSA-N 0 3 269.301 -1.068 20 0 CAADHN O=C(COC1CNC1)NCCCN1C(=O)CCC1=O ZINC000430108562 534610512 /nfs/dbraw/zinc/61/05/12/534610512.db2.gz UDKHMIOBRWYJLH-UHFFFAOYSA-N 0 3 269.301 -1.370 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCCN(C)CCOC ZINC000339250175 522220708 /nfs/dbraw/zinc/22/07/08/522220708.db2.gz QXSOOPRARVVFQJ-UHFFFAOYSA-N 0 3 296.393 -1.875 20 0 CAADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424551671 534624234 /nfs/dbraw/zinc/62/42/34/534624234.db2.gz WSSWALQWLCAIKB-ILWJIGKKSA-N 0 3 255.318 -1.319 20 0 CAADHN NCCNC(=O)C(=O)N1CCN(Cc2ccco2)CC1 ZINC000419814787 534629165 /nfs/dbraw/zinc/62/91/65/534629165.db2.gz IWTCFYWXHQELLS-UHFFFAOYSA-N 0 3 280.328 -1.001 20 0 CAADHN NCCNC(=O)C(=O)NCCOc1ccc2c(c1)OCO2 ZINC000419063636 534629374 /nfs/dbraw/zinc/62/93/74/534629374.db2.gz BRLLLNDGUDHINS-UHFFFAOYSA-N 0 3 295.295 -1.015 20 0 CAADHN [NH3+]CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000428783819 534630481 /nfs/dbraw/zinc/63/04/81/534630481.db2.gz KJXAFFYTUZAPRO-UHFFFAOYSA-N 0 3 291.105 -1.214 20 0 CAADHN O=C([C@H]1CN2CCN1CCC2)N1CCNC(=O)C1 ZINC000362689264 534635375 /nfs/dbraw/zinc/63/53/75/534635375.db2.gz XANHUDUVPVZMHX-SNVBAGLBSA-N 0 3 252.318 -1.665 20 0 CAADHN COCC(=O)NC1CN(C[C@@H](O)CN(C)C2CC2)C1 ZINC000357437021 522761055 /nfs/dbraw/zinc/76/10/55/522761055.db2.gz KEUVROJTNYBFCX-LBPRGKRZSA-N 0 3 271.361 -1.112 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N2CCN3CCC2CC3)c1=O ZINC000188624259 534671783 /nfs/dbraw/zinc/67/17/83/534671783.db2.gz FEBQCAYQQXCSDB-UHFFFAOYSA-N 0 3 292.339 -1.146 20 0 CAADHN COC(=O)CCNC(=O)CN1CC[C@@](C)(C(N)=O)C1 ZINC000280870175 523092976 /nfs/dbraw/zinc/09/29/76/523092976.db2.gz ZLTHGJCRGIARTB-GFCCVEGCSA-N 0 3 271.317 -1.137 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N1CC(CO)C1 ZINC000357568698 523216856 /nfs/dbraw/zinc/21/68/56/523216856.db2.gz AJTPEUNDCNWRMD-UHFFFAOYSA-N 0 3 287.360 -1.478 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N1CCOCC1 ZINC000339404113 523217665 /nfs/dbraw/zinc/21/76/65/523217665.db2.gz VXQVWNZWEQJWOH-UHFFFAOYSA-N 0 3 287.360 -1.070 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N(C)[C@@H](C)CO ZINC000357579543 523218800 /nfs/dbraw/zinc/21/88/00/523218800.db2.gz PJWDKMWYNRZBNG-NSHDSACASA-N 0 3 289.376 -1.090 20 0 CAADHN CO[C@@H](CN)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000289935573 523502085 /nfs/dbraw/zinc/50/20/85/523502085.db2.gz LEYRKPCFTYFHDT-SFYZADRCSA-N 0 3 257.290 -1.388 20 0 CAADHN COCCN(C)CCNC(=O)CN(C)S(C)(=O)=O ZINC000339249610 523589596 /nfs/dbraw/zinc/58/95/96/523589596.db2.gz XCORNDGCQOXZTM-UHFFFAOYSA-N 0 3 281.378 -1.428 20 0 CAADHN COCCN(C)CCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC000339304162 523589805 /nfs/dbraw/zinc/58/98/05/523589805.db2.gz RPRGPUJCJBOGKQ-UHFFFAOYSA-N 0 3 284.316 -1.357 20 0 CAADHN COCCN(C)CCNC(=O)Cn1cccnc1=O ZINC000339296913 523589955 /nfs/dbraw/zinc/58/99/55/523589955.db2.gz MLOQEYYZNFRVCL-UHFFFAOYSA-N 0 3 268.317 -1.062 20 0 CAADHN CN(C(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H]1CCCN(C)C1 ZINC000266207277 523816667 /nfs/dbraw/zinc/81/66/67/523816667.db2.gz XMGVGEPYXUCVGW-VIFPVBQESA-N 0 3 296.327 -1.040 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)CNC(N)=O ZINC000340841975 523824736 /nfs/dbraw/zinc/82/47/36/523824736.db2.gz QXVAUDRPQOLNIX-SECBINFHSA-N 0 3 258.322 -1.118 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)NCCN1C(=O)CNC1=O ZINC000265095188 523825296 /nfs/dbraw/zinc/82/52/96/523825296.db2.gz RGOCELNDOFOTLG-SECBINFHSA-N 0 3 283.332 -1.068 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC000264721245 523871287 /nfs/dbraw/zinc/87/12/87/523871287.db2.gz CVUFDURKDZFZJY-VIFPVBQESA-N 0 3 284.316 -1.625 20 0 CAADHN COCCNC(=O)CN1CCN(C(=O)[C@H](C)N)CC1 ZINC000163880704 523892534 /nfs/dbraw/zinc/89/25/34/523892534.db2.gz GTSUIKOVNOFMNB-JTQLQIEISA-N 0 3 272.349 -1.760 20 0 CAADHN CO[C@H](CN)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000289935565 523931539 /nfs/dbraw/zinc/93/15/39/523931539.db2.gz LEYRKPCFTYFHDT-HTQZYQBOSA-N 0 3 257.290 -1.388 20 0 CAADHN COCCNCC(=O)N[C@](C)(COC)C(=O)OC ZINC000262630665 523934253 /nfs/dbraw/zinc/93/42/53/523934253.db2.gz KQYOJAJMFIGJRK-LLVKDONJSA-N 0 3 262.306 -1.083 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)C(C)(C)NS(C)(=O)=O)C1 ZINC000358054864 523974332 /nfs/dbraw/zinc/97/43/32/523974332.db2.gz LWOLOEVRUKELLP-LLVKDONJSA-N 0 3 293.389 -1.503 20 0 CAADHN CNC(=O)[C@@H]1CCCN1CCC(=O)NCC(=O)OC ZINC000264712731 524082489 /nfs/dbraw/zinc/08/24/89/524082489.db2.gz MYRQJBBFPZUMPQ-VIFPVBQESA-N 0 3 271.317 -1.124 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)CCCC(N)=O ZINC001275045433 782163364 /nfs/dbraw/zinc/16/33/64/782163364.db2.gz HUQGOYZIOJUQGA-HTQZYQBOSA-N 0 3 258.322 -1.390 20 0 CAADHN C[C@H]1CN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@@H](C)CN1 ZINC000356374936 524475066 /nfs/dbraw/zinc/47/50/66/524475066.db2.gz TYPBEAAPRCEYIV-YUMQZZPRSA-N 0 3 282.300 -1.384 20 0 CAADHN C[C@@H](CNC(=O)CN1CC(=O)[N-]C1=O)C[NH+](C)C ZINC000292321483 524652055 /nfs/dbraw/zinc/65/20/55/524652055.db2.gz JEMANKQOJPXACH-QMMMGPOBSA-N 0 3 256.306 -1.148 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000428172135 534808221 /nfs/dbraw/zinc/80/82/21/534808221.db2.gz XNNYHMHIIHSNAD-QMMMGPOBSA-N 0 3 287.345 -1.824 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@H](C)CN1 ZINC000237442816 524800311 /nfs/dbraw/zinc/80/03/11/524800311.db2.gz CJSZKBSZHQDQLX-RKDXNWHRSA-N 0 3 266.301 -1.255 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@H](C)CN1 ZINC000237442885 524801235 /nfs/dbraw/zinc/80/12/35/524801235.db2.gz AMYPTLGLAOMCOX-NXEZZACHSA-N 0 3 280.328 -1.244 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](C)CN1 ZINC000237442787 524801411 /nfs/dbraw/zinc/80/14/11/524801411.db2.gz CJSZKBSZHQDQLX-BDAKNGLRSA-N 0 3 266.301 -1.255 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCC[NH3+])c1 ZINC000428469685 534809527 /nfs/dbraw/zinc/80/95/27/534809527.db2.gz VYPIPSZCENOTQT-UHFFFAOYSA-N 0 3 275.334 -1.837 20 0 CAADHN Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000428359017 534809696 /nfs/dbraw/zinc/80/96/96/534809696.db2.gz GAMYVRYCODUZDS-MRVPVSSYSA-N 0 3 287.345 -1.742 20 0 CAADHN C[C@H]1NCCN(C(=O)CN2CC(=O)NC2=O)[C@H]1C ZINC000262825083 525009367 /nfs/dbraw/zinc/00/93/67/525009367.db2.gz TXUIPGMYFNFYMS-SFYZADRCSA-N 0 3 254.290 -1.253 20 0 CAADHN C[C@H]1NCCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)[C@H]1C ZINC000262730829 525010726 /nfs/dbraw/zinc/01/07/26/525010726.db2.gz BMYJWOUHGXEHKT-SFYZADRCSA-N 0 3 282.300 -1.384 20 0 CAADHN C[C@H]1NCCN(C(=O)Cn2ccc(=O)n(C)c2=O)[C@@H]1C ZINC000262801561 525011573 /nfs/dbraw/zinc/01/15/73/525011573.db2.gz PGKFJKTYOJXHNT-NXEZZACHSA-N 0 3 280.328 -1.244 20 0 CAADHN CS(=O)(=O)CCS(=O)(=O)N1CCC[C@@H]1CN ZINC000082591544 525128510 /nfs/dbraw/zinc/12/85/10/525128510.db2.gz SISFVUAOVDPMAQ-MRVPVSSYSA-N 0 3 270.376 -1.216 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(N)=O ZINC000266210467 525131600 /nfs/dbraw/zinc/13/16/00/525131600.db2.gz JJCRLBICJJKHLX-DTWKUNHWSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(N)=O ZINC000266210469 525168914 /nfs/dbraw/zinc/16/89/14/525168914.db2.gz JJCRLBICJJKHLX-IUCAKERBSA-N 0 3 270.333 -1.614 20 0 CAADHN CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@]2(F)CCNC2)C1 ZINC000366325979 525209567 /nfs/dbraw/zinc/20/95/67/525209567.db2.gz QGZSNIRNDDZALR-SCZZXKLOSA-N 0 3 279.337 -1.162 20 0 CAADHN C[C@H](C[NH2+]CC(=O)N(C)C)NC(=O)Cc1nnc[n-]1 ZINC001274981158 782163648 /nfs/dbraw/zinc/16/36/48/782163648.db2.gz VGSWIFBVYJPURT-MRVPVSSYSA-N 0 3 268.321 -1.470 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCN(CCN(C)C)CC1 ZINC000356483174 525277868 /nfs/dbraw/zinc/27/78/68/525277868.db2.gz GEFZZZULTZWYJP-JTQLQIEISA-N 0 3 271.365 -1.251 20 0 CAADHN C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(N)=O ZINC000266210464 525290060 /nfs/dbraw/zinc/29/00/60/525290060.db2.gz JJCRLBICJJKHLX-BDAKNGLRSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)CCCC(N)=O ZINC001275045435 782163793 /nfs/dbraw/zinc/16/37/93/782163793.db2.gz HUQGOYZIOJUQGA-SFYZADRCSA-N 0 3 258.322 -1.390 20 0 CAADHN C[C@H](O)CN1CCN(C(=O)[C@H]2CNCCO2)C[C@@H]1C ZINC000246263975 525760715 /nfs/dbraw/zinc/76/07/15/525760715.db2.gz LGMNDKZYDVBLJE-SDDRHHMPSA-N 0 3 271.361 -1.112 20 0 CAADHN CC(C(=O)N(C)CC(C)(CO)CO)S(C)(=O)=O ZINC000332486048 525931570 /nfs/dbraw/zinc/93/15/70/525931570.db2.gz PLMQGWSEQJNZPY-MRVPVSSYSA-N 0 3 267.347 -1.131 20 0 CAADHN O=C(NCCN1CCCS1(=O)=O)[C@]1(F)CCNC1 ZINC000366329129 526312647 /nfs/dbraw/zinc/31/26/47/526312647.db2.gz WVFRUOXFNJRNNA-JTQLQIEISA-N 0 3 279.337 -1.160 20 0 CAADHN Cc1cc(NC(=O)C(=O)N[C@H](C)CN[C@@H](C)C(N)=O)no1 ZINC001275017536 782164095 /nfs/dbraw/zinc/16/40/95/782164095.db2.gz OUSJLUDWYAWFQX-SVRRBLITSA-N 0 3 297.315 -1.110 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000351901389 526516440 /nfs/dbraw/zinc/51/64/40/526516440.db2.gz ZNUONCLHMSAZFO-LBPRGKRZSA-N 0 3 255.318 -1.353 20 0 CAADHN Cc1cc(NC(=O)C(=O)N[C@H](C)CN[C@H](C)C(N)=O)no1 ZINC001275017535 782164152 /nfs/dbraw/zinc/16/41/52/782164152.db2.gz OUSJLUDWYAWFQX-HTRCEHHLSA-N 0 3 297.315 -1.110 20 0 CAADHN CC(=O)N1CCN(CCNC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000446260923 526626582 /nfs/dbraw/zinc/62/65/82/526626582.db2.gz STUAVEGYAXFVPY-NWDGAFQWSA-N 0 3 286.351 -1.033 20 0 CAADHN C[C@H](CN[C@@H]1CCNC1=O)NC(=O)CN1C(=O)CCC1=O ZINC001275012714 782164242 /nfs/dbraw/zinc/16/42/42/782164242.db2.gz IIBVGTGCRGVFQP-RKDXNWHRSA-N 0 3 296.327 -1.882 20 0 CAADHN CC(=O)NC1CN(C(=O)C(=O)N[C@@H](CN)CC(C)C)C1 ZINC000419979793 526705311 /nfs/dbraw/zinc/70/53/11/526705311.db2.gz QKCTYMGPPKLGMA-SNVBAGLBSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(=O)NCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000103204428 526716952 /nfs/dbraw/zinc/71/69/52/526716952.db2.gz GPRDACLHUFGEFZ-UHFFFAOYSA-N 0 3 296.371 -1.111 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCC[C@H](N(C)C)C1 ZINC000103945186 526718069 /nfs/dbraw/zinc/71/80/69/526718069.db2.gz CPZKZIPKTXELFO-NSHDSACASA-N 0 3 284.360 -1.209 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(C)[C@H]1CN2CCC1CC2 ZINC000347920834 526718658 /nfs/dbraw/zinc/71/86/58/526718658.db2.gz DGXVYDJXTRFKTG-LBPRGKRZSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N(C)[C@@H]1CN2CCC1CC2 ZINC000347920831 526718689 /nfs/dbraw/zinc/71/86/89/526718689.db2.gz DGXVYDJXTRFKTG-GFCCVEGCSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)NCCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000344341237 526760746 /nfs/dbraw/zinc/76/07/46/526760746.db2.gz LDWBUURTSSZMQO-LLVKDONJSA-N 0 3 284.360 -1.351 20 0 CAADHN CC(=O)N[C@H](CC(=O)NCCN1CCCCC1)C(N)=O ZINC000353821127 526885264 /nfs/dbraw/zinc/88/52/64/526885264.db2.gz NCSPBLJJKDYFNS-LLVKDONJSA-N 0 3 284.360 -1.031 20 0 CAADHN Cn1c(=O)ccn(CC(=O)N2CCCN(C)CC2)c1=O ZINC000073874551 527032386 /nfs/dbraw/zinc/03/23/86/527032386.db2.gz PHAFLBBOJNMMJX-UHFFFAOYSA-N 0 3 280.328 -1.289 20 0 CAADHN CC(C)(N)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000431063426 527238889 /nfs/dbraw/zinc/23/88/89/527238889.db2.gz DKEUAJQCOUSHGT-UHFFFAOYSA-N 0 3 272.349 -1.712 20 0 CAADHN CC(C)(N)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000236777444 527238994 /nfs/dbraw/zinc/23/89/94/527238994.db2.gz PHQAXTLZTAHMKA-UHFFFAOYSA-N 0 3 282.344 -1.327 20 0 CAADHN CC(C)(N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262662553 527239019 /nfs/dbraw/zinc/23/90/19/527239019.db2.gz ZASJGIICOXVWGR-NSHDSACASA-N 0 3 298.387 -1.227 20 0 CAADHN CC(C)(N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000262662552 527239929 /nfs/dbraw/zinc/23/99/29/527239929.db2.gz ZASJGIICOXVWGR-LLVKDONJSA-N 0 3 298.387 -1.227 20 0 CAADHN CC(C)(N)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000236779048 527240731 /nfs/dbraw/zinc/24/07/31/527240731.db2.gz BZQHFZZKMHFXHZ-UHFFFAOYSA-N 0 3 298.387 -1.273 20 0 CAADHN NS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000337052714 527292940 /nfs/dbraw/zinc/29/29/40/527292940.db2.gz SLKLMNAIWLPYSX-MRVPVSSYSA-N 0 3 276.362 -1.189 20 0 CAADHN Cn1cnn(CC(=O)N2CCN3CCC2CC3)c1=O ZINC000364934031 527514395 /nfs/dbraw/zinc/51/43/95/527514395.db2.gz IWXHDKWFVOMFGO-UHFFFAOYSA-N 0 3 265.317 -1.112 20 0 CAADHN O=C(NCC1CCN(CCO)CC1)C(=O)N1CCOCC1 ZINC000339300880 527609199 /nfs/dbraw/zinc/60/91/99/527609199.db2.gz KVLVLXMLUDOHJR-UHFFFAOYSA-N 0 3 299.371 -1.334 20 0 CAADHN CCN1CCO[C@H](C(=O)NC[C@@]2(O)CCN(C)C2)C1 ZINC000356081136 527736029 /nfs/dbraw/zinc/73/60/29/527736029.db2.gz SLUMNMGAXMYCNX-AAEUAGOBSA-N 0 3 271.361 -1.110 20 0 CAADHN CC(C)NS(=O)(=O)NCCNC(=O)NCCN(C)C ZINC000429136065 527747224 /nfs/dbraw/zinc/74/72/24/527747224.db2.gz PMQDRGOEHPKXDB-UHFFFAOYSA-N 0 3 295.409 -1.320 20 0 CAADHN CCN(C)CCNC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000344770393 527795542 /nfs/dbraw/zinc/79/55/42/527795542.db2.gz LEBGWFOMGGLCMJ-UHFFFAOYSA-N 0 3 289.361 -1.402 20 0 CAADHN CCO[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CCN)[C@@H]1OC ZINC000419699298 527805666 /nfs/dbraw/zinc/80/56/66/527805666.db2.gz BJALWMRXIWKMOT-BBBLOLIVSA-N 0 3 273.333 -1.288 20 0 CAADHN CC(C)[C@H]1CN(C(=O)C(=O)NC[C@H]2CNCCO2)CCO1 ZINC000420185840 527823537 /nfs/dbraw/zinc/82/35/37/527823537.db2.gz AEQBLVSBNFAEJL-VXGBXAGGSA-N 0 3 299.371 -1.026 20 0 CAADHN CN(CCO)C[C@H]1CCCN1C(=O)Cn1cnnn1 ZINC001275087387 782165358 /nfs/dbraw/zinc/16/53/58/782165358.db2.gz MHQRYCRWNXPTKN-SNVBAGLBSA-N 0 3 268.321 -1.412 20 0 CAADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)N(C)CCN)[C@@H]1OC ZINC000419699291 527907702 /nfs/dbraw/zinc/90/77/02/527907702.db2.gz BJALWMRXIWKMOT-AEJSXWLSSA-N 0 3 273.333 -1.288 20 0 CAADHN CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCNC(=O)C1 ZINC000459902743 527938661 /nfs/dbraw/zinc/93/86/61/527938661.db2.gz KMBWOTPIXPNNES-UHFFFAOYSA-N 0 3 298.387 -1.009 20 0 CAADHN CCN(CC(N)=O)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000191816683 527976187 /nfs/dbraw/zinc/97/61/87/527976187.db2.gz KTVQTGXFTPVZLG-JTQLQIEISA-N 0 3 284.360 -1.270 20 0 CAADHN CCN1CC[C@H](NC[C@H](C)NC(=O)CC(N)=O)C1=O ZINC001275105399 782165503 /nfs/dbraw/zinc/16/55/03/782165503.db2.gz SKZOPYSXOMSGGO-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1cn(C)nn1 ZINC001275141742 782165520 /nfs/dbraw/zinc/16/55/20/782165520.db2.gz DWUDYLWQILLPOK-QMMMGPOBSA-N 0 3 268.321 -1.341 20 0 CAADHN CCCN(CCN(C)C)C(=O)CNS(=O)(=O)NC ZINC000448916586 528073282 /nfs/dbraw/zinc/07/32/82/528073282.db2.gz ZZCNDWFVUBFAJC-UHFFFAOYSA-N 0 3 280.394 -1.160 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000446268988 528092300 /nfs/dbraw/zinc/09/23/00/528092300.db2.gz JEXNGRDOGXLTBA-WDEREUQCSA-N 0 3 286.351 -1.033 20 0 CAADHN CCNC(=O)CNC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000126120730 528096879 /nfs/dbraw/zinc/09/68/79/528096879.db2.gz UXMACXXHLRBAGT-JTQLQIEISA-N 0 3 258.322 -1.662 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)[C@H](C)NC(N)=O ZINC001275129221 782165940 /nfs/dbraw/zinc/16/59/40/782165940.db2.gz ZZTILFNUWPAOSK-ACZMJKKPSA-N 0 3 259.310 -1.989 20 0 CAADHN CCNC(=O)N1CCN(C(=O)COC2CNC2)CC1 ZINC000429787800 528127502 /nfs/dbraw/zinc/12/75/02/528127502.db2.gz PGCFQNACGYFHDS-UHFFFAOYSA-N 0 3 270.333 -1.152 20 0 CAADHN CCC[C@H](N)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000431066402 528163376 /nfs/dbraw/zinc/16/33/76/528163376.db2.gz SUAFCGZJQDBZKM-NSHDSACASA-N 0 3 286.376 -1.322 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cnnn1C ZINC001275135768 782166093 /nfs/dbraw/zinc/16/60/93/782166093.db2.gz MVQLBOPVJXDMGT-JGVFFNPUSA-N 0 3 266.305 -1.589 20 0 CAADHN CCN1CC[C@@H](NC[C@H](C)NC(=O)CC(N)=O)C1=O ZINC001275105392 782166187 /nfs/dbraw/zinc/16/61/87/782166187.db2.gz SKZOPYSXOMSGGO-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1cn(C)cn1 ZINC001275120794 782166433 /nfs/dbraw/zinc/16/64/33/782166433.db2.gz HTJGCJCSGSZWKK-IUCAKERBSA-N 0 3 293.327 -1.067 20 0 CAADHN CCNCCNS(=O)(=O)CCCS(C)(=O)=O ZINC000440338559 528329933 /nfs/dbraw/zinc/32/99/33/528329933.db2.gz DWCWAYNEVSPGFO-UHFFFAOYSA-N 0 3 272.392 -1.050 20 0 CAADHN CCCCN(C)CCNC(=O)CNS(=O)(=O)NC ZINC000448960751 528340198 /nfs/dbraw/zinc/34/01/98/528340198.db2.gz HAMDJNULRAPIPA-UHFFFAOYSA-N 0 3 280.394 -1.112 20 0 CAADHN CCN(CCCNC(=O)[C@H](CN)OC)S(C)(=O)=O ZINC000227369856 528456839 /nfs/dbraw/zinc/45/68/39/528456839.db2.gz KLALWCWWEMJWTI-VIFPVBQESA-N 0 3 281.378 -1.252 20 0 CAADHN CCN(CCCNC(=O)[C@@H](CN)OC)S(C)(=O)=O ZINC000227369846 528457220 /nfs/dbraw/zinc/45/72/20/528457220.db2.gz KLALWCWWEMJWTI-SECBINFHSA-N 0 3 281.378 -1.252 20 0 CAADHN CC(C)[C@@H](N)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000430675832 528498075 /nfs/dbraw/zinc/49/80/75/528498075.db2.gz NJIAMJZJDRBNID-SNVBAGLBSA-N 0 3 277.390 -1.184 20 0 CAADHN CCN(CCO)CCNC(=O)C(C)(C)NS(C)(=O)=O ZINC000347802094 528529069 /nfs/dbraw/zinc/52/90/69/528529069.db2.gz DFGHYLFIQSPAIL-UHFFFAOYSA-N 0 3 295.405 -1.255 20 0 CAADHN CCN(CCO)CCNC(=O)CN(C)S(=O)(=O)CC ZINC000347811834 528530843 /nfs/dbraw/zinc/53/08/43/528530843.db2.gz UWHRCCSZDBAYQA-UHFFFAOYSA-N 0 3 295.405 -1.302 20 0 CAADHN CCN(CCO)CCNC(=O)CN(C)S(C)(=O)=O ZINC000347794968 528531374 /nfs/dbraw/zinc/53/13/74/528531374.db2.gz PKVHNEAIQBCCDG-UHFFFAOYSA-N 0 3 281.378 -1.692 20 0 CAADHN CCN(CCO)CCNC(=O)CN1CSCC1=O ZINC000347813019 528531553 /nfs/dbraw/zinc/53/15/53/528531553.db2.gz WIOADUZAVLITHA-UHFFFAOYSA-N 0 3 275.374 -1.050 20 0 CAADHN CCN(CCO)CCNC(=O)CCN1C(=O)CCC1=O ZINC000347801923 528531674 /nfs/dbraw/zinc/53/16/74/528531674.db2.gz BTTCPEYAEXQEON-UHFFFAOYSA-N 0 3 285.344 -1.044 20 0 CAADHN CCN(CCO)CCNC(=O)NCc1nnn(C)n1 ZINC000427118370 528538343 /nfs/dbraw/zinc/53/83/43/528538343.db2.gz WRCKTCUNCJGKMD-UHFFFAOYSA-N 0 3 271.325 -1.677 20 0 CAADHN CCN(CCO)CCNC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000347286376 528539702 /nfs/dbraw/zinc/53/97/02/528539702.db2.gz GAAOMKONSPSRTC-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC000347806889 528541531 /nfs/dbraw/zinc/54/15/31/528541531.db2.gz MELYYMOQAUGCNL-SECBINFHSA-N 0 3 281.378 -1.646 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CCC(=O)NC1 ZINC000347794588 528543347 /nfs/dbraw/zinc/54/33/47/528543347.db2.gz OXDABPZOAKBPJO-SNVBAGLBSA-N 0 3 257.334 -1.057 20 0 CAADHN CCN(CCO)CCNC(=O)C(C)S(C)(=O)=O ZINC000347789558 528543799 /nfs/dbraw/zinc/54/37/99/528543799.db2.gz BAWNZPZOZMNRNY-VIFPVBQESA-N 0 3 266.363 -1.150 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CCC(=O)NC1 ZINC000347794586 528544826 /nfs/dbraw/zinc/54/48/26/528544826.db2.gz OXDABPZOAKBPJO-JTQLQIEISA-N 0 3 257.334 -1.057 20 0 CAADHN CCN(CCO)CCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC000347810531 528549591 /nfs/dbraw/zinc/54/95/91/528549591.db2.gz SSBTZNNBGNPOEI-UHFFFAOYSA-N 0 3 284.316 -1.470 20 0 CAADHN CCOC(=O)C(NC(=O)[C@@H]1C[C@@H]1N)C(=O)OCC ZINC000424065546 528574114 /nfs/dbraw/zinc/57/41/14/528574114.db2.gz QKNLFGVOTBWIRC-RQJHMYQMSA-N 0 3 258.274 -1.055 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CNCCO2)CCO1 ZINC000420185838 528718282 /nfs/dbraw/zinc/71/82/82/528718282.db2.gz AEQBLVSBNFAEJL-RYUDHWBXSA-N 0 3 299.371 -1.026 20 0 CAADHN CCOCCN1CCN(C(=O)C(=O)N(C)CCN)CC1 ZINC000423059280 528728335 /nfs/dbraw/zinc/72/83/35/528728335.db2.gz LMJRVRJCDFLLML-UHFFFAOYSA-N 0 3 286.376 -1.416 20 0 CAADHN CCOCCN1CCN(C(=O)C(=O)N[C@@H](C)CN)CC1 ZINC000420015637 528733099 /nfs/dbraw/zinc/73/30/99/528733099.db2.gz LRCBNYDUGPMKCF-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN CCOCCOC1CN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000420015483 528781907 /nfs/dbraw/zinc/78/19/07/528781907.db2.gz QSJKTNZRMNEHSD-SECBINFHSA-N 0 3 273.333 -1.286 20 0 CAADHN CCOCCOC1CN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420030952 528782064 /nfs/dbraw/zinc/78/20/64/528782064.db2.gz QSJKTNZRMNEHSD-VIFPVBQESA-N 0 3 273.333 -1.286 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)/C=C\CN(C)C ZINC000491892811 528795344 /nfs/dbraw/zinc/79/53/44/528795344.db2.gz MLQSRIRYRMWQBR-WAYWQWQTSA-N 0 3 271.317 -1.019 20 0 CAADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CC(NC(C)=O)C1 ZINC000420132476 528795440 /nfs/dbraw/zinc/79/54/40/528795440.db2.gz YFUJELXGYXUJBD-JTQLQIEISA-N 0 3 284.360 -1.033 20 0 CAADHN CC(C)N(C)CC(=O)N1CCN(C(=O)CO)CC1 ZINC000089548938 528810980 /nfs/dbraw/zinc/81/09/80/528810980.db2.gz RVFWTADITJXSTC-UHFFFAOYSA-N 0 3 257.334 -1.010 20 0 CAADHN CCOCCS(=O)(=O)NCC(=O)NCCN(C)C ZINC000351808519 528853231 /nfs/dbraw/zinc/85/32/31/528853231.db2.gz GCSIQACJGHEDLG-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCNC(=O)[C@@H]1C ZINC000420115874 528928169 /nfs/dbraw/zinc/92/81/69/528928169.db2.gz FSLJIVZIILBZPG-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CCC[C@@H](N)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000430675903 528963111 /nfs/dbraw/zinc/96/31/11/528963111.db2.gz NPMGLMWBVRZCRN-SNVBAGLBSA-N 0 3 277.390 -1.040 20 0 CAADHN CCOC(=O)N1CCN(C(=O)C(=O)N[C@H](C)CN)CC1 ZINC000495893799 528984966 /nfs/dbraw/zinc/98/49/66/528984966.db2.gz NJOLPLWCOWTQLP-SECBINFHSA-N 0 3 286.332 -1.250 20 0 CAADHN CCOC(=O)N1CC[C@@H](NC(=O)C(=O)NC2CNC2)C1 ZINC000496868957 528995015 /nfs/dbraw/zinc/99/50/15/528995015.db2.gz CAKIXVUYPFMDEK-MRVPVSSYSA-N 0 3 284.316 -1.579 20 0 CAADHN CC(C)[C@H](CNC(=O)CNC(=O)CN)N1CCOCC1 ZINC000262187983 528998904 /nfs/dbraw/zinc/99/89/04/528998904.db2.gz HPSXDJRJHIHTLX-NSHDSACASA-N 0 3 286.376 -1.466 20 0 CAADHN CC(C)N1CCCN(C(=O)C(=O)N2CCNC(=O)C2)CC1 ZINC000332257129 529007050 /nfs/dbraw/zinc/00/70/50/529007050.db2.gz DIWYKRZIXDQPJT-UHFFFAOYSA-N 0 3 296.371 -1.113 20 0 CAADHN CC(C)N1CCN(C(=O)C(=O)N(C)CCN)CC1=O ZINC000423334678 529030087 /nfs/dbraw/zinc/03/00/87/529030087.db2.gz QZSXMJRKWIOBHA-UHFFFAOYSA-N 0 3 270.333 -1.517 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(C)CC1 ZINC000126051109 529036515 /nfs/dbraw/zinc/03/65/15/529036515.db2.gz GBDBTJUYSMNBLS-NSHDSACASA-N 0 3 256.350 -1.140 20 0 CAADHN CC(C)[C@H](N)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000236723844 529036895 /nfs/dbraw/zinc/03/68/95/529036895.db2.gz DHGVSKRNSRPLGJ-NSHDSACASA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCCNC1=O ZINC000126295122 529037436 /nfs/dbraw/zinc/03/74/36/529037436.db2.gz INUYIMJGLZCDHT-SCZZXKLOSA-N 0 3 270.333 -1.519 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCCCNC1=O ZINC000126147759 529037829 /nfs/dbraw/zinc/03/78/29/529037829.db2.gz LTCNZLAKNYLEAT-KOLCDFICSA-N 0 3 284.360 -1.129 20 0 CAADHN CC(C)[C@H](N)C(=O)NCCN1CCS(=O)(=O)CC1 ZINC000430675828 529038069 /nfs/dbraw/zinc/03/80/69/529038069.db2.gz NJIAMJZJDRBNID-JTQLQIEISA-N 0 3 277.390 -1.184 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCNC(=O)C1CC1 ZINC000162735518 529038438 /nfs/dbraw/zinc/03/84/38/529038438.db2.gz DKHBUJBJWGPBMI-NSHDSACASA-N 0 3 284.360 -1.272 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000261584199 529038648 /nfs/dbraw/zinc/03/86/48/529038648.db2.gz HROZYGGCWOBBEC-KCJUWKMLSA-N 0 3 270.333 -1.567 20 0 CAADHN CCOC(=O)NCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000495683270 529041745 /nfs/dbraw/zinc/04/17/45/529041745.db2.gz BDABPICJYRMJJS-VIFPVBQESA-N 0 3 288.348 -1.085 20 0 CAADHN CCN1CCC[C@@H](NC(=O)CNC(=O)CNC(C)=O)C1 ZINC000193683907 529052205 /nfs/dbraw/zinc/05/22/05/529052205.db2.gz TVBWCOKMSIVDPO-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN CCOC(=O)NCCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000496180929 529054311 /nfs/dbraw/zinc/05/43/11/529054311.db2.gz XYUVHAQKWFXUCP-NXEZZACHSA-N 0 3 298.343 -1.107 20 0 CAADHN CCOC(=O)NCCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000496180931 529054663 /nfs/dbraw/zinc/05/46/63/529054663.db2.gz XYUVHAQKWFXUCP-VHSXEESVSA-N 0 3 298.343 -1.107 20 0 CAADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCC(N)=O)CC1=O ZINC000109151667 529075910 /nfs/dbraw/zinc/07/59/10/529075910.db2.gz GSYUNIOJTWCZNL-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CCN1CCC[C@@H]1CNC(=O)c1cn(CC(N)=O)nn1 ZINC000079337823 529080530 /nfs/dbraw/zinc/08/05/30/529080530.db2.gz RAABLFJLCYHRLP-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN CC1(C)CN(C(=O)NCCN2CCNC(=O)C2)CCN1 ZINC000333548807 529084481 /nfs/dbraw/zinc/08/44/81/529084481.db2.gz KBOUVTVJMDZMGY-UHFFFAOYSA-N 0 3 283.376 -1.188 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)C(=O)N2CCCNCC2)CC1=O ZINC000331457211 529093728 /nfs/dbraw/zinc/09/37/28/529093728.db2.gz APQJRJZOYDHRTA-NSHDSACASA-N 0 3 296.371 -1.066 20 0 CAADHN CC(C)N1C[C@H](NC(=O)C(=O)N[C@@H](CN)C2CC2)CC1=O ZINC000419501951 529099778 /nfs/dbraw/zinc/09/97/78/529099778.db2.gz AHCYLHRSJZEUHM-MNOVXSKESA-N 0 3 296.371 -1.035 20 0 CAADHN CCN1CCN(C(=O)C(=O)N(C)CCN)[C@H](C)C1=O ZINC000423379866 529109953 /nfs/dbraw/zinc/10/99/53/529109953.db2.gz YAOGDPDVQKATOA-SECBINFHSA-N 0 3 270.333 -1.517 20 0 CAADHN CCN1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1=O ZINC000459893925 529110091 /nfs/dbraw/zinc/11/00/91/529110091.db2.gz HHAWXCRMBRRINR-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CCN1CCN(C(=O)C(=O)N(C)CCN)CC1=O ZINC000423361419 529110670 /nfs/dbraw/zinc/11/06/70/529110670.db2.gz GQQYRISRUDXSSU-UHFFFAOYSA-N 0 3 256.306 -1.906 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(NCCC[C@H](C)O)n1 ZINC000343098863 529111371 /nfs/dbraw/zinc/11/13/71/529111371.db2.gz MBLSEAULLVBKSE-JTQLQIEISA-N 0 3 298.391 -1.065 20 0 CAADHN CCN1CCN(C(=O)C(=O)N(C)[C@H](C)CN)CC1=O ZINC000423713694 529112837 /nfs/dbraw/zinc/11/28/37/529112837.db2.gz FKUNYVDUMZAWCH-SECBINFHSA-N 0 3 270.333 -1.517 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2COC[C@H]2O)n1 ZINC000450838328 529113789 /nfs/dbraw/zinc/11/37/89/529113789.db2.gz XOUHSYVOEJVSFB-RKDXNWHRSA-N 0 3 298.347 -2.467 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2C[C@@H](O)C[C@@H]2C)n1 ZINC000343221748 529114702 /nfs/dbraw/zinc/11/47/02/529114702.db2.gz CVPNDHOTTKLNRG-UWVGGRQHSA-N 0 3 296.375 -1.101 20 0 CAADHN CC(C)Nc1nc(NCCO)nc(N2C[C@H](O)C[C@H]2C)n1 ZINC000343221744 529114992 /nfs/dbraw/zinc/11/49/92/529114992.db2.gz CVPNDHOTTKLNRG-NXEZZACHSA-N 0 3 296.375 -1.101 20 0 CAADHN CC(C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000331388782 529116116 /nfs/dbraw/zinc/11/61/16/529116116.db2.gz LICXYVSHOGKRHA-ZJUUUORDSA-N 0 3 282.344 -1.471 20 0 CAADHN CCN1CCN(C(=O)C(=O)N[C@H](CN)C2CC2)CC1=O ZINC000420037995 529121670 /nfs/dbraw/zinc/12/16/70/529121670.db2.gz MMWRYAXMTWMMQZ-SNVBAGLBSA-N 0 3 282.344 -1.469 20 0 CAADHN CCN1CCN(C(=O)NC[C@@H]2CNCCO2)CC1=O ZINC000333517950 529127760 /nfs/dbraw/zinc/12/77/60/529127760.db2.gz KCCVICUDSBINJZ-JTQLQIEISA-N 0 3 270.333 -1.152 20 0 CAADHN CCN1CCN(CC(=O)N2CCN[C@H](C)[C@H]2C)C(=O)C1=O ZINC000262740855 529137135 /nfs/dbraw/zinc/13/71/35/529137135.db2.gz DSANEKUTHPYWMJ-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN CCN1CCN(CC(=O)N2CC[C@@H](N(C)C)C2)C(=O)C1=O ZINC000170866130 529137183 /nfs/dbraw/zinc/13/71/83/529137183.db2.gz MJWQSWUJUGFYNU-LLVKDONJSA-N 0 3 296.371 -1.160 20 0 CAADHN CCN1CCN(CC(=O)N2CC[C@H](N(C)C)C2)C(=O)C1=O ZINC000170866128 529137319 /nfs/dbraw/zinc/13/73/19/529137319.db2.gz MJWQSWUJUGFYNU-NSHDSACASA-N 0 3 296.371 -1.160 20 0 CAADHN CCN1CCN(CC(=O)N2C[C@H](C)NC[C@H]2C)C(=O)C1=O ZINC000236871071 529137552 /nfs/dbraw/zinc/13/75/52/529137552.db2.gz GKDKZLNPAUTENS-WDEREUQCSA-N 0 3 296.371 -1.114 20 0 CAADHN CCN1CCN(CC(=O)N2C[C@H](C)NC[C@@H]2C)C(=O)C1=O ZINC000236871010 529137665 /nfs/dbraw/zinc/13/76/65/529137665.db2.gz GKDKZLNPAUTENS-QWRGUYRKSA-N 0 3 296.371 -1.114 20 0 CAADHN CC[C@H]1CN(C(=O)C(=O)NCCNCCOC)CCO1 ZINC000420189523 529265222 /nfs/dbraw/zinc/26/52/22/529265222.db2.gz UWGCHEXQYDTQCB-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CC[C@@H]1CN(C(=O)CNC(=O)CN)CCN1CCOC ZINC000125230860 529362951 /nfs/dbraw/zinc/36/29/51/529362951.db2.gz FBNOTKSRRMXALK-LLVKDONJSA-N 0 3 286.376 -1.370 20 0 CAADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCNC(=O)C1 ZINC000342049152 535478703 /nfs/dbraw/zinc/47/87/03/535478703.db2.gz YXHQPSSOGHELNH-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCNC(=O)C1 ZINC000342049154 535502724 /nfs/dbraw/zinc/50/27/24/535502724.db2.gz YXHQPSSOGHELNH-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N2)CC1 ZINC000668234019 545497000 /nfs/dbraw/zinc/49/70/00/545497000.db2.gz WSJIPLTXZOWRKJ-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C)CCn1ccc(NC(=O)NCC(=O)NCCO)n1 ZINC000676180715 545497022 /nfs/dbraw/zinc/49/70/22/545497022.db2.gz ZMPLSNPQBXASKP-UHFFFAOYSA-N 0 3 298.347 -1.325 20 0 CAADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N2)CC1 ZINC000668234020 545497097 /nfs/dbraw/zinc/49/70/97/545497097.db2.gz WSJIPLTXZOWRKJ-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000668261929 545497242 /nfs/dbraw/zinc/49/72/42/545497242.db2.gz BLUUOXOQYZPDQJ-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN CN1CCC[C@@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC000668329989 545498159 /nfs/dbraw/zinc/49/81/59/545498159.db2.gz IUPUCHIQAGFUMG-DDHJBXDOSA-N 0 3 270.329 -1.390 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC000668435705 545499351 /nfs/dbraw/zinc/49/93/51/545499351.db2.gz MCSKFBFJJOVXRP-UWVGGRQHSA-N 0 3 255.318 -1.041 20 0 CAADHN O=C(N[C@H]1CCN(CC2CC2)C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000668457253 545499572 /nfs/dbraw/zinc/49/95/72/545499572.db2.gz BPENLOGRYIYYOR-REWJHTLYSA-N 0 3 296.367 -1.000 20 0 CAADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000668457252 545499640 /nfs/dbraw/zinc/49/96/40/545499640.db2.gz BPENLOGRYIYYOR-AAVRWANBSA-N 0 3 296.367 -1.000 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)CN2CCNCC2)CC1 ZINC000036964264 545501216 /nfs/dbraw/zinc/50/12/16/545501216.db2.gz LQYZARBNPCALLR-UHFFFAOYSA-N 0 3 290.389 -2.005 20 0 CAADHN CN(CC(=O)NC1CC1)C(=O)CN1CCNCC1 ZINC000036946263 545501232 /nfs/dbraw/zinc/50/12/32/545501232.db2.gz AZCAKYNXMHRZMY-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN CC1(OCC(=O)NC[C@@H]2CN3CCN2CCC3)CNC1 ZINC000394392560 545498489 /nfs/dbraw/zinc/49/84/89/545498489.db2.gz RMZUIKBVMXSXDQ-GFCCVEGCSA-N 0 3 282.388 -1.129 20 0 CAADHN Cc1nn(CC(=O)NCCNc2ccncc2)c(=O)n1C ZINC000655391587 545504106 /nfs/dbraw/zinc/50/41/06/545504106.db2.gz XDCRMFFEQXJLTB-UHFFFAOYSA-N 0 3 290.327 -1.065 20 0 CAADHN CN(C)CC[C@](C)(O)CNC(=O)CCn1ncn(C)c1=O ZINC000655393205 545504130 /nfs/dbraw/zinc/50/41/30/545504130.db2.gz UABMBWYDFFKYMM-ZDUSSCGKSA-N 0 3 299.375 -1.209 20 0 CAADHN O=C(CN1CCNCC1)N[C@H]1CCCCNC1=O ZINC000037631569 545504855 /nfs/dbraw/zinc/50/48/55/545504855.db2.gz YYRQPLKQUMRJQF-JTQLQIEISA-N 0 3 254.334 -1.324 20 0 CAADHN C[C@@H](CN1CCOCC1)NC(=O)CN1CCNCC1 ZINC000037631446 545504925 /nfs/dbraw/zinc/50/49/25/545504925.db2.gz ROWXBZVZXQRYSQ-LBPRGKRZSA-N 0 3 270.377 -1.272 20 0 CAADHN Cc1nn(CC(=O)N2CCN(C)C[C@@H]2CN)c(=O)n1C ZINC000655418879 545505230 /nfs/dbraw/zinc/50/52/30/545505230.db2.gz FTUKTGISIJYJOJ-JTQLQIEISA-N 0 3 282.348 -2.008 20 0 CAADHN C[C@H](CN1CCOCC1)NC(=O)CN1CCNCC1 ZINC000037631448 545505251 /nfs/dbraw/zinc/50/52/51/545505251.db2.gz ROWXBZVZXQRYSQ-GFCCVEGCSA-N 0 3 270.377 -1.272 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N1)CN1CCN(C)CC1 ZINC000668684692 545508464 /nfs/dbraw/zinc/50/84/64/545508464.db2.gz QSFGGSMMKOPSEL-WDEREUQCSA-N 0 3 268.361 -1.125 20 0 CAADHN CCN1CCN(CCNC(=O)C2(n3cnnn3)CC2)CC1 ZINC000668675000 545506615 /nfs/dbraw/zinc/50/66/15/545506615.db2.gz WEAYZKFHUZGYNS-UHFFFAOYSA-N 0 3 293.375 -1.084 20 0 CAADHN Cn1nncc1S(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000647304725 545508489 /nfs/dbraw/zinc/50/84/89/545508489.db2.gz BKRHRJWHYIDOBH-BQBZGAKWSA-N 0 3 263.298 -1.207 20 0 CAADHN CCN1CCN(CCNC(=O)[C@@H]2CN(C)C(=O)N2)CC1 ZINC000668675456 545507385 /nfs/dbraw/zinc/50/73/85/545507385.db2.gz CFOCOZIDURCEGS-NSHDSACASA-N 0 3 283.376 -1.236 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N1)CN1CCN(C)CC1 ZINC000668684690 545508498 /nfs/dbraw/zinc/50/84/98/545508498.db2.gz QSFGGSMMKOPSEL-MNOVXSKESA-N 0 3 268.361 -1.125 20 0 CAADHN C[C@H]1CCN(CCNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC000524774677 545507642 /nfs/dbraw/zinc/50/76/42/545507642.db2.gz VNUUUNKDMVMQHX-VIFPVBQESA-N 0 3 280.332 -1.165 20 0 CAADHN O=C(NCCN1C(=O)CCC1=O)[C@]1(F)CCNC1 ZINC000158488219 545509148 /nfs/dbraw/zinc/50/91/48/545509148.db2.gz DJSJPPCGUWBUDQ-NSHDSACASA-N 0 3 257.265 -1.047 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NCCN2C(=O)CCC2=O)C[C@@H]1O ZINC000664115589 545509647 /nfs/dbraw/zinc/50/96/47/545509647.db2.gz ABNCCGHIRRJNGX-UWVGGRQHSA-N 0 3 298.343 -1.548 20 0 CAADHN CN(C)[C@H]1CN(C(=O)NC[C@@H]2CN(C)CCN2C)C[C@@H]1O ZINC000664083472 545509728 /nfs/dbraw/zinc/50/97/28/545509728.db2.gz RJUQBUQHXBGCOC-AGIUHOORSA-N 0 3 299.419 -1.452 20 0 CAADHN O=C(NCCN1C(=O)CCC1=O)[C@@]1(F)CCNC1 ZINC000158488363 545509899 /nfs/dbraw/zinc/50/98/99/545509899.db2.gz DJSJPPCGUWBUDQ-LLVKDONJSA-N 0 3 257.265 -1.047 20 0 CAADHN CCNC(=O)CN(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000081266390 545510918 /nfs/dbraw/zinc/51/09/18/545510918.db2.gz WUJTZQWIMXZCCJ-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668794513 545511731 /nfs/dbraw/zinc/51/17/31/545511731.db2.gz JXLNLQRFFMWODT-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC000647673373 545514373 /nfs/dbraw/zinc/51/43/73/545514373.db2.gz JVSBZIKQHHQRKH-QMMMGPOBSA-N 0 3 256.306 -1.689 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CCNC2=O)C[C@@H]1O ZINC000665330024 545514404 /nfs/dbraw/zinc/51/44/04/545514404.db2.gz UFNXLANSUXJRBU-CIUDSAMLSA-N 0 3 256.306 -1.809 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000644225672 545514910 /nfs/dbraw/zinc/51/49/10/545514910.db2.gz DCAYPJHTEBVJEA-JTQLQIEISA-N 0 3 278.316 -1.470 20 0 CAADHN O=C(NC1CNC1)C(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000644225673 545515226 /nfs/dbraw/zinc/51/52/26/545515226.db2.gz DCAYPJHTEBVJEA-SNVBAGLBSA-N 0 3 278.316 -1.470 20 0 CAADHN CN(CCN1CCCC1)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651255451 545515827 /nfs/dbraw/zinc/51/58/27/545515827.db2.gz VJSVPISCUPCVES-UHFFFAOYSA-N 0 3 280.332 -1.069 20 0 CAADHN CN(C)C[C@@H]1CCCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000651236044 545515902 /nfs/dbraw/zinc/51/59/02/545515902.db2.gz SMOYLKCSDXAZTK-VIFPVBQESA-N 0 3 280.332 -1.070 20 0 CAADHN CN(C)CCNC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000651240539 545515912 /nfs/dbraw/zinc/51/59/12/545515912.db2.gz PFXJGDPEIWBDTE-SECBINFHSA-N 0 3 278.378 -1.119 20 0 CAADHN C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)N(C)C1CC1 ZINC000651240436 545516254 /nfs/dbraw/zinc/51/62/54/545516254.db2.gz JPBYUKYUZXIKRA-MRVPVSSYSA-N 0 3 280.332 -1.024 20 0 CAADHN CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H]1CCCN(C)C1 ZINC000651265174 545517056 /nfs/dbraw/zinc/51/70/56/545517056.db2.gz HWQSBLOLVWZONW-SNVBAGLBSA-N 0 3 292.405 -1.065 20 0 CAADHN CN1C[C@H](C(=O)NCCCN2CCC(O)CC2)NC1=O ZINC000668895951 545517240 /nfs/dbraw/zinc/51/72/40/545517240.db2.gz SQUXTXRGKHXMKI-LLVKDONJSA-N 0 3 284.360 -1.027 20 0 CAADHN COCCN(CCN(C)C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC000651264414 545517371 /nfs/dbraw/zinc/51/73/71/545517371.db2.gz XXPHXUXVGYJTSG-SNVBAGLBSA-N 0 3 293.389 -1.285 20 0 CAADHN COC[C@H](O)CN(CCO)CCN1CCOCC1 ZINC000086168737 545517402 /nfs/dbraw/zinc/51/74/02/545517402.db2.gz HTBGQAUJDUFJDE-GFCCVEGCSA-N 0 3 262.350 -1.380 20 0 CAADHN CC(C)C(=O)NCCNC(=O)CN1CCNCC1 ZINC000040806786 545517707 /nfs/dbraw/zinc/51/77/07/545517707.db2.gz BYAULKWMUFSDAB-UHFFFAOYSA-N 0 3 256.350 -1.220 20 0 CAADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668933137 545518336 /nfs/dbraw/zinc/51/83/36/545518336.db2.gz BUEAMVHZESKGFK-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CCC(=O)N(C)C2=O)C[C@@H]1O ZINC000665185822 545513462 /nfs/dbraw/zinc/51/34/62/545513462.db2.gz AIDRVLOKCHYELP-GUBZILKMSA-N 0 3 298.343 -1.550 20 0 CAADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)C[C@@H]1O ZINC000580260201 545513489 /nfs/dbraw/zinc/51/34/89/545513489.db2.gz JSXWTZZBMJYOCA-UTLUCORTSA-N 0 3 255.318 -1.354 20 0 CAADHN CN(C)C[C@H]1CN(S(=O)(=O)c2cnnn2C)CCO1 ZINC000330084733 545513628 /nfs/dbraw/zinc/51/36/28/545513628.db2.gz RBCOSPVGYDDXCW-VIFPVBQESA-N 0 3 289.361 -1.234 20 0 CAADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N(C)C2=O)C[C@@H]1O ZINC000665185829 545513674 /nfs/dbraw/zinc/51/36/74/545513674.db2.gz AIDRVLOKCHYELP-UTLUCORTSA-N 0 3 298.343 -1.550 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)[C@@]1(CO)CCOC1 ZINC000329684400 545520867 /nfs/dbraw/zinc/52/08/67/545520867.db2.gz YCHUODAFTVHWRI-QWHCGFSZSA-N 0 3 274.361 -1.237 20 0 CAADHN CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@@H]1CCCN(C)C1 ZINC000669179197 545521680 /nfs/dbraw/zinc/52/16/80/545521680.db2.gz SZZJKHRIBVPPOE-FDYHWXHSSA-N 0 3 284.356 -1.048 20 0 CAADHN CN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@H]1CCCN(C)C1 ZINC000669179198 545521854 /nfs/dbraw/zinc/52/18/54/545521854.db2.gz SZZJKHRIBVPPOE-UMSGYPCISA-N 0 3 284.356 -1.048 20 0 CAADHN CCN(CC)CC(=O)NCCN1CCNC(=O)C1 ZINC000337374380 545523349 /nfs/dbraw/zinc/52/33/49/545523349.db2.gz FRVDTVUNWKRGKL-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)NCCNS(C)(=O)=O ZINC000337377968 545523355 /nfs/dbraw/zinc/52/33/55/545523355.db2.gz BOJDZRGJAWSHPA-SNVBAGLBSA-N 0 3 296.393 -1.853 20 0 CAADHN CN(C)CCOCCNC(=O)C(=O)N1CCC2(COC2)C1 ZINC000669228517 545523368 /nfs/dbraw/zinc/52/33/68/545523368.db2.gz NDZRMNFJAYXXKL-UHFFFAOYSA-N 0 3 299.371 -1.070 20 0 CAADHN CCN1C[C@H](CNC(=O)C(=O)N[C@@H](CN)C2CC2)CC1=O ZINC000652700269 545525901 /nfs/dbraw/zinc/52/59/01/545525901.db2.gz OEZPQIYFPSGODC-ONGXEEELSA-N 0 3 296.371 -1.176 20 0 CAADHN CCN1C[C@@H](CNC(=O)C(=O)N[C@@H](CN)C2CC2)CC1=O ZINC000652700267 545526079 /nfs/dbraw/zinc/52/60/79/545526079.db2.gz OEZPQIYFPSGODC-KOLCDFICSA-N 0 3 296.371 -1.176 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652704554 545527475 /nfs/dbraw/zinc/52/74/75/545527475.db2.gz NDQWRZOHWMIBAF-YTWAJWBKSA-N 0 3 283.328 -1.473 20 0 CAADHN COCCNCCNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000652703626 545527572 /nfs/dbraw/zinc/52/75/72/545527572.db2.gz WLLUIGMXHDKTPY-MXWKQRLJSA-N 0 3 285.344 -1.225 20 0 CAADHN CN(C)C/C=C/C(=O)NCCN1CCNC(=O)C1 ZINC000272665804 545527762 /nfs/dbraw/zinc/52/77/62/545527762.db2.gz IZNGIXUIUWUVGF-ONEGZZNKSA-N 0 3 254.334 -1.348 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CCN1CCCS1(=O)=O ZINC000673523652 545534588 /nfs/dbraw/zinc/53/45/88/545534588.db2.gz ZXSAOWQEYNXXBG-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CCN1CCCS1(=O)=O ZINC000673523665 545534597 /nfs/dbraw/zinc/53/45/97/545534597.db2.gz ZXSAOWQEYNXXBG-SNVBAGLBSA-N 0 3 293.389 -1.549 20 0 CAADHN C[C@H]1CS(=O)(=O)CCN1C(=O)CN1CCNCC1 ZINC000228740687 545529397 /nfs/dbraw/zinc/52/93/97/545529397.db2.gz KXRCRIOEXNEOIG-JTQLQIEISA-N 0 3 275.374 -1.463 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@@]2(O)CCOC2)CC1=O ZINC000652733523 545530455 /nfs/dbraw/zinc/53/04/55/545530455.db2.gz KDHKJZHXYWVNIE-CYBMUJFWSA-N 0 3 285.344 -1.630 20 0 CAADHN CN(C)C[C@H]1CCCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000668013052 545530708 /nfs/dbraw/zinc/53/07/08/545530708.db2.gz PQZJDISPNXHZHD-FDYHWXHSSA-N 0 3 284.356 -1.048 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@]2(O)CCOC2)CC1=O ZINC000652733524 545530934 /nfs/dbraw/zinc/53/09/34/545530934.db2.gz KDHKJZHXYWVNIE-ZDUSSCGKSA-N 0 3 285.344 -1.630 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000652734332 545531039 /nfs/dbraw/zinc/53/10/39/545531039.db2.gz GHNSGHZZQJBEQO-VIFPVBQESA-N 0 3 285.348 -1.724 20 0 CAADHN C[C@@H](CNC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N(C)C1CC1 ZINC000668095964 545531534 /nfs/dbraw/zinc/53/15/34/545531534.db2.gz VIOMYPGDTLODOG-BXGBBSSXSA-N 0 3 284.356 -1.002 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1COCCN1CC(F)F ZINC000673523765 545534774 /nfs/dbraw/zinc/53/47/74/545534774.db2.gz ZSGVIXJSHFVVRN-NXEZZACHSA-N 0 3 295.330 -1.009 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1COCCN1CC(F)F ZINC000673523772 545534819 /nfs/dbraw/zinc/53/48/19/545534819.db2.gz ZSGVIXJSHFVVRN-UWVGGRQHSA-N 0 3 295.330 -1.009 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC000673519762 545531848 /nfs/dbraw/zinc/53/18/48/545531848.db2.gz AZBYMXAUGQASMT-MRVPVSSYSA-N 0 3 270.289 -2.012 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)CCN ZINC000659563944 545532351 /nfs/dbraw/zinc/53/23/51/545532351.db2.gz DSRCUARDIHRKGN-SFYZADRCSA-N 0 3 265.335 -1.602 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@@H](C(N)=O)C2)CC1=O ZINC000652795058 545533138 /nfs/dbraw/zinc/53/31/38/545533138.db2.gz AQWLHFNKFQFERZ-MXWKQRLJSA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)N[C@H]1CCN(CCC(=O)N2CCNCC2)C1 ZINC000647988831 545533177 /nfs/dbraw/zinc/53/31/77/545533177.db2.gz UWLYWQYYOZREBM-NSHDSACASA-N 0 3 283.376 -1.188 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1COCCN1CC(F)F ZINC000673523775 545534109 /nfs/dbraw/zinc/53/41/09/545534109.db2.gz ZSGVIXJSHFVVRN-ZJUUUORDSA-N 0 3 295.330 -1.009 20 0 CAADHN C[C@@H](Cn1cncn1)NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000647994887 545534233 /nfs/dbraw/zinc/53/42/33/545534233.db2.gz BRHNISIRNQLDDP-DCAQKATOSA-N 0 3 282.348 -1.017 20 0 CAADHN CNC(=O)C(C)(C)CNC(=O)CN1CCNCC1 ZINC000230394331 545535334 /nfs/dbraw/zinc/53/53/34/545535334.db2.gz JKIYJROQZGTTKL-UHFFFAOYSA-N 0 3 256.350 -1.220 20 0 CAADHN CC1(C)CNCCN1C(=O)CN1CCNCC1=O ZINC000669512374 545535454 /nfs/dbraw/zinc/53/54/54/545535454.db2.gz KRVMBRNEDUOMDY-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCNC(=O)C1 ZINC000332629178 545536172 /nfs/dbraw/zinc/53/61/72/545536172.db2.gz JBNYWLCMWWAWGG-MNOVXSKESA-N 0 3 294.355 -1.360 20 0 CAADHN CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@@H]1CCNC1=O ZINC001275267945 782168885 /nfs/dbraw/zinc/16/88/85/782168885.db2.gz YKCHPQDUWACNBX-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN1CCN(CC(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1 ZINC000652890104 545539961 /nfs/dbraw/zinc/53/99/61/545539961.db2.gz OSKNMUWOUJFKMA-CQSZACIVSA-N 0 3 296.415 -1.099 20 0 CAADHN CC1(OCC(=O)NCCCN2C(=O)CNC2=O)CNC1 ZINC000648078047 545537428 /nfs/dbraw/zinc/53/74/28/545537428.db2.gz XZGZTVXAMKTBNN-UHFFFAOYSA-N 0 3 284.316 -1.577 20 0 CAADHN Cn1cnn(CC(=O)NC[C@@H](O)CN2CCCCC2)c1=O ZINC000352470709 545537685 /nfs/dbraw/zinc/53/76/85/545537685.db2.gz MEAOSKYEEHQQRJ-LLVKDONJSA-N 0 3 297.359 -1.455 20 0 CAADHN CN(CCCN(C)[C@@H]1COC[C@@H]1O)[C@@H]1COC[C@@H]1O ZINC000352792188 545537867 /nfs/dbraw/zinc/53/78/67/545537867.db2.gz LFDXMQCTWJRKMZ-NDBYEHHHSA-N 0 3 274.361 -1.241 20 0 CAADHN CC1(OCC(=O)NCCN2C(=O)CNC2=O)CNC1 ZINC000648082474 545538062 /nfs/dbraw/zinc/53/80/62/545538062.db2.gz KSGQEUKYRXQJPC-UHFFFAOYSA-N 0 3 270.289 -1.967 20 0 CAADHN CC(=O)NC[C@H]1CN(C(=O)COC2(C)CNC2)CCO1 ZINC000648083968 545538155 /nfs/dbraw/zinc/53/81/55/545538155.db2.gz MLCSFFCWKURLFT-NSHDSACASA-N 0 3 285.344 -1.272 20 0 CAADHN COCCNCC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000232282510 545538385 /nfs/dbraw/zinc/53/83/85/545538385.db2.gz KQTBSSFGHGKKJD-NXEZZACHSA-N 0 3 255.318 -1.041 20 0 CAADHN CN(C)S(=O)(=O)N1CCN(C(=O)C2(N)CC2)CC1 ZINC000088130459 545540018 /nfs/dbraw/zinc/54/00/18/545540018.db2.gz YEGWAUBDFAVHHL-UHFFFAOYSA-N 0 3 276.362 -1.572 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000232731415 545539033 /nfs/dbraw/zinc/53/90/33/545539033.db2.gz KEKARSAJFHYSCG-GXFFZTMASA-N 0 3 284.360 -1.190 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000232731704 545539288 /nfs/dbraw/zinc/53/92/88/545539288.db2.gz KEKARSAJFHYSCG-GWCFXTLKSA-N 0 3 284.360 -1.190 20 0 CAADHN COCCN(C)CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358702479 545541745 /nfs/dbraw/zinc/54/17/45/545541745.db2.gz FNCYVJYTMKBMRE-CYBMUJFWSA-N 0 3 288.392 -1.070 20 0 CAADHN CNC(=O)[C@@H](C)CN(C)C(=O)CN1CCNCC1 ZINC000234342028 545541760 /nfs/dbraw/zinc/54/17/60/545541760.db2.gz GFWDVWPXTXZYFF-JTQLQIEISA-N 0 3 256.350 -1.268 20 0 CAADHN CNC(=O)[C@H](C)CN(C)C(=O)CN1CCNCC1 ZINC000234364356 545541907 /nfs/dbraw/zinc/54/19/07/545541907.db2.gz GFWDVWPXTXZYFF-SNVBAGLBSA-N 0 3 256.350 -1.268 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CCN1CCCCC1 ZINC000652992464 545544263 /nfs/dbraw/zinc/54/42/63/545544263.db2.gz PMPKSYGDANVOJT-UHFFFAOYSA-N 0 3 292.405 -1.016 20 0 CAADHN CN(CCN1CCCCC1)C(=O)[C@@H](CO)NC(N)=O ZINC000652990952 545544765 /nfs/dbraw/zinc/54/47/65/545544765.db2.gz JVQICLIYPZTWGW-SNVBAGLBSA-N 0 3 272.349 -1.040 20 0 CAADHN CN(C)CCN(C)C(=O)c1nc(N)nc(N(C)C)n1 ZINC000653020712 545545438 /nfs/dbraw/zinc/54/54/38/545545438.db2.gz FDMLEVYUHUKBPC-UHFFFAOYSA-N 0 3 267.337 -1.016 20 0 CAADHN CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000659713153 545545824 /nfs/dbraw/zinc/54/58/24/545545824.db2.gz CEIJZAVJGXICGN-SNVBAGLBSA-N 0 3 297.359 -1.711 20 0 CAADHN NC(=O)c1ncn(CC(=O)NCCNc2ccncc2)n1 ZINC000653017174 545545851 /nfs/dbraw/zinc/54/58/51/545545851.db2.gz QFISJTWSYLMLOQ-UHFFFAOYSA-N 0 3 289.299 -1.578 20 0 CAADHN CN(C)CCN(C(=O)Cn1cnc(C(N)=O)n1)C1CC1 ZINC000653024209 545546857 /nfs/dbraw/zinc/54/68/57/545546857.db2.gz DKQJPUMZSDWFGH-UHFFFAOYSA-N 0 3 280.332 -1.070 20 0 CAADHN COCCN(C)CCCNC(=O)C(=O)N[C@H]1CCOC1 ZINC000671134445 545547234 /nfs/dbraw/zinc/54/72/34/545547234.db2.gz GQSYZUKYQDHUAZ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCOC1 ZINC000671134439 545547298 /nfs/dbraw/zinc/54/72/98/545547298.db2.gz GQSYZUKYQDHUAZ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN COCCN(C)CCCNC(=O)C(=O)N(C)C[C@@H](C)O ZINC000671134640 545547518 /nfs/dbraw/zinc/54/75/18/545547518.db2.gz FUXNMBVTRVZLMK-LLVKDONJSA-N 0 3 289.376 -1.090 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000091300621 545548799 /nfs/dbraw/zinc/54/87/99/545548799.db2.gz JAWQNDLDABHWIQ-LBPRGKRZSA-N 0 3 298.387 -1.403 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000091300620 545548838 /nfs/dbraw/zinc/54/88/38/545548838.db2.gz JAWQNDLDABHWIQ-GFCCVEGCSA-N 0 3 298.387 -1.403 20 0 CAADHN CC1(OCC(=O)NCCC(=O)N2CCOCC2)CNC1 ZINC000098060684 545550333 /nfs/dbraw/zinc/55/03/33/545550333.db2.gz MPKHNJIONDLDBB-UHFFFAOYSA-N 0 3 285.344 -1.270 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)COC1(C)CNC1 ZINC000098060605 545550378 /nfs/dbraw/zinc/55/03/78/545550378.db2.gz KKUGKPNOIYWKIX-UHFFFAOYSA-N 0 3 287.360 -1.024 20 0 CAADHN CN1CCN(CCNC(=O)COC2(C)CNC2)CC1 ZINC000098061784 545550396 /nfs/dbraw/zinc/55/03/96/545550396.db2.gz WORGLTIXIMXXMC-UHFFFAOYSA-N 0 3 270.377 -1.272 20 0 CAADHN COCCNC(=O)CNC(=O)COC1(C)CNC1 ZINC000098060604 545550658 /nfs/dbraw/zinc/55/06/58/545550658.db2.gz OEDJTSPWOJEGRQ-UHFFFAOYSA-N 0 3 259.306 -1.756 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)COC1(C)CNC1 ZINC000098061076 545550674 /nfs/dbraw/zinc/55/06/74/545550674.db2.gz CMWBIJUXQVLMMP-UHFFFAOYSA-N 0 3 287.360 -1.072 20 0 CAADHN CC(C)(CNC(=O)COC1(C)CNC1)NS(C)(=O)=O ZINC000098061379 545550737 /nfs/dbraw/zinc/55/07/37/545550737.db2.gz HKNYHZMBROFPSL-UHFFFAOYSA-N 0 3 293.389 -1.191 20 0 CAADHN C[C@H](CS(C)(=O)=O)NC(=O)COC1(C)CNC1 ZINC000098061405 545550851 /nfs/dbraw/zinc/55/08/51/545550851.db2.gz SQWUMSDDAJRNHT-MRVPVSSYSA-N 0 3 264.347 -1.086 20 0 CAADHN COCCCN(C)CCNC(=O)C(=O)N(C)C[C@@H](C)O ZINC000673148983 545551570 /nfs/dbraw/zinc/55/15/70/545551570.db2.gz ADPAFVURCUUCBA-LLVKDONJSA-N 0 3 289.376 -1.090 20 0 CAADHN CNC(=O)CCN(CCO)CCN1CCOCC1 ZINC000152984580 545555392 /nfs/dbraw/zinc/55/53/92/545555392.db2.gz HASSIACUPIKDGV-UHFFFAOYSA-N 0 3 259.350 -1.251 20 0 CAADHN CC(C)N(C)CC(=O)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000629539482 545552977 /nfs/dbraw/zinc/55/29/77/545552977.db2.gz MKNBVTDBHWFMEJ-UHFFFAOYSA-N 0 3 292.405 -1.067 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H]1NCC1(C)C ZINC000645925290 545553164 /nfs/dbraw/zinc/55/31/64/545553164.db2.gz IFESPMAAOQTTDE-MWLCHTKSSA-N 0 3 296.371 -1.162 20 0 CAADHN N[C@@H](C(=O)NCCN1C(=O)CNC1=O)C1CCC1 ZINC000645987292 545554104 /nfs/dbraw/zinc/55/41/04/545554104.db2.gz RECZOVCFAAWVEQ-SECBINFHSA-N 0 3 254.290 -1.218 20 0 CAADHN CN(C(=O)CNC(=O)CN)[C@H]1CN2CCC1CC2 ZINC000381158912 545563213 /nfs/dbraw/zinc/56/32/13/545563213.db2.gz FQGVNOQJLIPGBN-JTQLQIEISA-N 0 3 254.334 -1.386 20 0 CAADHN CN(C)CCN1CCN([C@@H]2CCCNC2=O)CC1=O ZINC000649685553 545563926 /nfs/dbraw/zinc/56/39/26/545563926.db2.gz DLKDCAHIRPAXTE-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)C[C@@H]1CCC(=O)N1 ZINC000649549842 545564102 /nfs/dbraw/zinc/56/41/02/545564102.db2.gz UALFXXRFIOXCIY-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN CN(C)CCN1CCN(CCn2cncn2)CC1=O ZINC000649684928 545564274 /nfs/dbraw/zinc/56/42/74/545564274.db2.gz HQRZOMHMZPVCJJ-UHFFFAOYSA-N 0 3 266.349 -1.016 20 0 CAADHN CN(C[C@H](O)CN1CCOCC1)C[C@@H]1CCC(=O)N1 ZINC000649549843 545564319 /nfs/dbraw/zinc/56/43/19/545564319.db2.gz UALFXXRFIOXCIY-RYUDHWBXSA-N 0 3 271.361 -1.110 20 0 CAADHN CN(C)CCN1CCN([C@@H]2CCNC2=O)CC1=O ZINC000649687569 545564348 /nfs/dbraw/zinc/56/43/48/545564348.db2.gz WXFBROPNTBMCOC-SNVBAGLBSA-N 0 3 254.334 -1.419 20 0 CAADHN CN(C)CCN1CCN([C@@H]2CCN(C)C2=O)CC1=O ZINC000649687704 545564394 /nfs/dbraw/zinc/56/43/94/545564394.db2.gz BONUDVNWDGWSQB-LLVKDONJSA-N 0 3 268.361 -1.077 20 0 CAADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCNC(=O)C1 ZINC000672306133 545564517 /nfs/dbraw/zinc/56/45/17/545564517.db2.gz SZJCTVFXFXVABY-LLVKDONJSA-N 0 3 294.355 -1.455 20 0 CAADHN CN(C)CCN1CCN(CC(=O)N2CCC2)CC1=O ZINC000649687774 545564682 /nfs/dbraw/zinc/56/46/82/545564682.db2.gz FCHMLSHVFRMCEZ-UHFFFAOYSA-N 0 3 268.361 -1.076 20 0 CAADHN CN(C)CCN1CCN(CC2(CO)COC2)CC1=O ZINC000649687136 545564776 /nfs/dbraw/zinc/56/47/76/545564776.db2.gz KHZBZSPRXLNGPB-UHFFFAOYSA-N 0 3 271.361 -1.299 20 0 CAADHN CO[C@H]1CN[C@@H](C(=O)N[C@H](C)C(=O)N2CCOCC2)C1 ZINC000564833815 545565225 /nfs/dbraw/zinc/56/52/25/545565225.db2.gz YLEXMTBFGLEBCK-GMTAPVOTSA-N 0 3 285.344 -1.273 20 0 CAADHN COC[C@@H]1C[C@@H](O)CN1C[C@H](O)CN1CCOCC1 ZINC000649741820 545565385 /nfs/dbraw/zinc/56/53/85/545565385.db2.gz FINSHUHGBKQMSX-YNEHKIRRSA-N 0 3 274.361 -1.239 20 0 CAADHN CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CCCN(C)C1 ZINC000649768542 545565658 /nfs/dbraw/zinc/56/56/58/545565658.db2.gz FDXYJOHDLDAJGL-VIFPVBQESA-N 0 3 280.332 -1.070 20 0 CAADHN CN1CC[C@H](N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1=O ZINC000564739958 545565780 /nfs/dbraw/zinc/56/57/80/545565780.db2.gz MNJRFZXZVJTXJV-UTLUCORTSA-N 0 3 252.318 -1.539 20 0 CAADHN COC[C@@H]1C[C@@H](O)CN1C[C@@H](O)CN1CCOCC1 ZINC000649741819 545565793 /nfs/dbraw/zinc/56/57/93/545565793.db2.gz FINSHUHGBKQMSX-XQQFMLRXSA-N 0 3 274.361 -1.239 20 0 CAADHN CN1CC[C@H](N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1=O ZINC000564739954 545565944 /nfs/dbraw/zinc/56/59/44/545565944.db2.gz MNJRFZXZVJTXJV-AEJSXWLSSA-N 0 3 252.318 -1.539 20 0 CAADHN CNC(=O)CCN1CCN(CCN(C)C)C(=O)C1 ZINC000649687878 545566106 /nfs/dbraw/zinc/56/61/06/545566106.db2.gz JCJCBHNSJINCBR-UHFFFAOYSA-N 0 3 256.350 -1.172 20 0 CAADHN CC[C@@H](C(N)=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000649688057 545566257 /nfs/dbraw/zinc/56/62/57/545566257.db2.gz PJNKCYAGFMTGMR-JTQLQIEISA-N 0 3 256.350 -1.044 20 0 CAADHN COCCN(C)C[C@H](O)CN1CCOC[C@H]1CO ZINC000386101189 545567221 /nfs/dbraw/zinc/56/72/21/545567221.db2.gz JXJGHONOKWBNGL-NEPJUHHUSA-N 0 3 262.350 -1.381 20 0 CAADHN C[C@@H](O)CN(CCN1C(=O)CN(C)C1=O)[C@H](C)CO ZINC000660382454 545568045 /nfs/dbraw/zinc/56/80/45/545568045.db2.gz RUUDEQXVRDJDSM-NXEZZACHSA-N 0 3 273.333 -1.056 20 0 CAADHN COCCCN(C)CCNC(=O)Cn1nc(C)n(C)c1=O ZINC000654830428 545568230 /nfs/dbraw/zinc/56/82/30/545568230.db2.gz HPISGBNLNQYKQY-UHFFFAOYSA-N 0 3 299.375 -1.025 20 0 CAADHN C[C@@H](O)CN(CCN1C(=O)CN(C)C1=O)[C@@H](C)CO ZINC000660382550 545568406 /nfs/dbraw/zinc/56/84/06/545568406.db2.gz RUUDEQXVRDJDSM-VHSXEESVSA-N 0 3 273.333 -1.056 20 0 CAADHN C[C@@H]1CN(C[C@H](O)CN2C[C@H](O)C[C@@H]2CO)C[C@H](C)O1 ZINC000352023297 545568475 /nfs/dbraw/zinc/56/84/75/545568475.db2.gz WHHHZIMNAHADMY-ITGHMWBKSA-N 0 3 288.388 -1.116 20 0 CAADHN Cc1nn(CC(=O)NC[C@](C)(O)CN(C)C)c(=O)n1C ZINC000654950542 545568821 /nfs/dbraw/zinc/56/88/21/545568821.db2.gz LQLQTSGVHPIMBY-LBPRGKRZSA-N 0 3 285.348 -1.681 20 0 CAADHN CC(C(=O)NC[C@@H]1CN2CCN1CCC2)S(C)(=O)=O ZINC000670409586 545571632 /nfs/dbraw/zinc/57/16/32/545571632.db2.gz PXNBPQUAXLBDAI-GHMZBOCLSA-N 0 3 289.401 -1.074 20 0 CAADHN CCN1C[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)CC1=O ZINC000653450418 545572332 /nfs/dbraw/zinc/57/23/32/545572332.db2.gz IJFSCIGTNKAAIK-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000671418584 545572472 /nfs/dbraw/zinc/57/24/72/545572472.db2.gz ASDKKVGYNTWOSN-SNVBAGLBSA-N 0 3 296.371 -1.066 20 0 CAADHN O[C@@H](COC[C@@H]1CCCO1)CN1C[C@H](O)C[C@H](O)C1 ZINC000674464700 545572740 /nfs/dbraw/zinc/57/27/40/545572740.db2.gz JPKUKIAKRBEHRI-XQHKEYJVSA-N 0 3 275.345 -1.030 20 0 CAADHN O=C(N[C@H]1CCN(C2CC2)C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC000667182797 545556483 /nfs/dbraw/zinc/55/64/83/545556483.db2.gz IVWLRDIEIRGFTG-WKSBVSIWSA-N 0 3 282.340 -1.248 20 0 CAADHN O=C(Cn1cnnn1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405259379 545558928 /nfs/dbraw/zinc/55/89/28/545558928.db2.gz IEJIAMCBQDBZTL-DTWKUNHWSA-N 0 3 252.278 -2.050 20 0 CAADHN O=C(CN1CCCC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405225839 545559365 /nfs/dbraw/zinc/55/93/65/545559365.db2.gz CYKADBPWGGCOQH-WDEREUQCSA-N 0 3 267.329 -1.114 20 0 CAADHN O=C(CN1CSCC1=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000405256390 545559581 /nfs/dbraw/zinc/55/95/81/545559581.db2.gz KVWKBPBVFLUXFL-VHSXEESVSA-N 0 3 285.369 -1.203 20 0 CAADHN CN(C)CCNC(=O)NC1CC(NS(C)(=O)=O)C1 ZINC000670178142 545559969 /nfs/dbraw/zinc/55/99/69/545559969.db2.gz CUBBWGDCJZYWHE-UHFFFAOYSA-N 0 3 278.378 -1.073 20 0 CAADHN CC(C)NCC(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000037808974 545560260 /nfs/dbraw/zinc/56/02/60/545560260.db2.gz IFOBPPVDFXCDPM-UHFFFAOYSA-N 0 3 292.405 -1.065 20 0 CAADHN CCN1CC[C@@H](NC(=O)NC[C@@]2(O)CCN(C)C2)C1=O ZINC000670190280 545561121 /nfs/dbraw/zinc/56/11/21/545561121.db2.gz LYBNJEVVXGUQSI-MFKMUULPSA-N 0 3 284.360 -1.027 20 0 CAADHN CCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CCCNC1 ZINC000262761073 545561240 /nfs/dbraw/zinc/56/12/40/545561240.db2.gz RNBRODQQMQXXNF-SECBINFHSA-N 0 3 299.418 -1.403 20 0 CAADHN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000671504239 545575293 /nfs/dbraw/zinc/57/52/93/545575293.db2.gz HPXVIURFUMQGAU-SRVKXCTJSA-N 0 3 296.371 -1.523 20 0 CAADHN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000671504238 545575787 /nfs/dbraw/zinc/57/57/87/545575787.db2.gz HPXVIURFUMQGAU-SDDRHHMPSA-N 0 3 296.371 -1.523 20 0 CAADHN CN(C)[C@@]1(CNC(=O)C2(O)CNC2)CCSC1 ZINC000662682306 545576496 /nfs/dbraw/zinc/57/64/96/545576496.db2.gz QXFSDDLLZWIOQL-SNVBAGLBSA-N 0 3 259.375 -1.126 20 0 CAADHN O=C(N1CCN([C@H]2CCC[C@H]2O)CC1)C1(O)CNC1 ZINC000662718016 545577573 /nfs/dbraw/zinc/57/75/73/545577573.db2.gz VCKXTXNCVDOINV-WDEREUQCSA-N 0 3 269.345 -1.622 20 0 CAADHN CN(C)CCn1cc(NC(=O)C2(O)CNC2)cn1 ZINC000662701489 545577777 /nfs/dbraw/zinc/57/77/77/545577777.db2.gz QAVZSZJAVYECCS-UHFFFAOYSA-N 0 3 253.306 -1.283 20 0 CAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1(O)CNC1 ZINC000662710752 545578149 /nfs/dbraw/zinc/57/81/49/545578149.db2.gz JIKGLUCOWLZLQX-NSHDSACASA-N 0 3 298.387 -1.620 20 0 CAADHN CC[C@H](N)C(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000662697287 545578305 /nfs/dbraw/zinc/57/83/05/545578305.db2.gz DLVJUYLGMQGSCV-XFWSIPNHSA-N 0 3 276.358 -1.006 20 0 CAADHN O=C(N1CCN([C@@H]2CCC[C@@H]2O)CC1)C1(O)CNC1 ZINC000662718009 545578579 /nfs/dbraw/zinc/57/85/79/545578579.db2.gz VCKXTXNCVDOINV-MNOVXSKESA-N 0 3 269.345 -1.622 20 0 CAADHN COC1CCN(CCNC(=O)C2(O)CNC2)CC1 ZINC000662744936 545579970 /nfs/dbraw/zinc/57/99/70/545579970.db2.gz ASURRAHGMPRJEG-UHFFFAOYSA-N 0 3 257.334 -1.452 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC[C@@H]2CCC(=O)N2)C1=O ZINC000662891696 545579984 /nfs/dbraw/zinc/57/99/84/545579984.db2.gz PGSNUYBPDCWWBD-UWVGGRQHSA-N 0 3 282.344 -1.279 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662749452 545580058 /nfs/dbraw/zinc/58/00/58/545580058.db2.gz MTYDUMMSSLWCKJ-BWZBUEFSSA-N 0 3 267.326 -1.178 20 0 CAADHN NCc1cc(=O)[n-]c(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000662751272 545580080 /nfs/dbraw/zinc/58/00/80/545580080.db2.gz YCEDBMOSTFPUDA-SDBXPKJASA-N 0 3 293.327 -1.507 20 0 CAADHN CN1C[C@@H](CNC(=O)CN2CCCC[C@H](N)C2=O)CC1=O ZINC000662886507 545580103 /nfs/dbraw/zinc/58/01/03/545580103.db2.gz GRPAPMMQYTWTQK-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCNC(=O)C1 ZINC000662919391 545581024 /nfs/dbraw/zinc/58/10/24/545581024.db2.gz VEADFZNSSKEGHT-UHFFFAOYSA-N 0 3 266.301 -2.106 20 0 CAADHN NCC12CC(C1)CN2C(=O)C(=O)N1CCC[C@H]1CO ZINC000662928084 545581359 /nfs/dbraw/zinc/58/13/59/545581359.db2.gz KKGGHXQBRGDZOC-QUNCOHTASA-N 0 3 267.329 -1.081 20 0 CAADHN O=C(NC[C@H]1CN2CCN1CCC2)C1(O)CNC1 ZINC000662909081 545581593 /nfs/dbraw/zinc/58/15/93/545581593.db2.gz YGNMIVSTSIQFFI-JTQLQIEISA-N 0 3 254.334 -2.173 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)C[C@H](CO)O1 ZINC000662943945 545582328 /nfs/dbraw/zinc/58/23/28/545582328.db2.gz FNYNNZSMLXMVJF-MMIJRFEOSA-N 0 3 297.355 -1.456 20 0 CAADHN CCN(CCOCCO)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662942422 545582444 /nfs/dbraw/zinc/58/24/44/545582444.db2.gz GSWZRIUBYUPZQW-UHFFFAOYSA-N 0 3 299.371 -1.207 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CC3CC2(CN)C3)C[C@@H](CO)O1 ZINC000662943944 545582451 /nfs/dbraw/zinc/58/24/51/545582451.db2.gz FNYNNZSMLXMVJF-ICYKSAPQSA-N 0 3 297.355 -1.456 20 0 CAADHN Cn1c2ncn(C[C@H]3CNCCO3)c2c(=O)n(C)c1=O ZINC000205562999 545584059 /nfs/dbraw/zinc/58/40/59/545584059.db2.gz LPMBCLBTWBXRMS-MRVPVSSYSA-N 0 3 279.300 -1.578 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)N(C)C ZINC000666244435 545584686 /nfs/dbraw/zinc/58/46/86/545584686.db2.gz URRSNRXYDLNPIU-NXEZZACHSA-N 0 3 292.405 -1.032 20 0 CAADHN COCCN(C)CCNC(=O)C1(n2cnnn2)CC1 ZINC000667994430 545590658 /nfs/dbraw/zinc/59/06/58/545590658.db2.gz FTDGPWCCYDLCIO-UHFFFAOYSA-N 0 3 268.321 -1.143 20 0 CAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N1 ZINC000667893630 545590796 /nfs/dbraw/zinc/59/07/96/545590796.db2.gz UWVYLWNLXZUIIF-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000667183460 545588461 /nfs/dbraw/zinc/58/84/61/545588461.db2.gz ZBTWYKISAZMJJB-SECBINFHSA-N 0 3 290.389 -1.265 20 0 CAADHN O=C(N[C@H]1CCN(C2CC2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC000667182584 545589020 /nfs/dbraw/zinc/58/90/20/545589020.db2.gz FMWJFLGUSINSFT-CBAPKCEASA-N 0 3 266.301 -1.063 20 0 CAADHN C[C@@H](CNCC(=O)N1CCCC1)NC(=O)[C@H]1CCNC1=O ZINC001275267741 782168975 /nfs/dbraw/zinc/16/89/75/782168975.db2.gz UTMHNKBDUQMLEC-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN COCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC(N)=O ZINC001275339643 782169431 /nfs/dbraw/zinc/16/94/31/782169431.db2.gz IPCQRXDMEKDQMZ-NKWVEPMBSA-N 0 3 260.294 -1.690 20 0 CAADHN C[C@@H](NC(=O)CCn1cncn1)[C@H](C)NCC(N)=O ZINC001275354431 782170301 /nfs/dbraw/zinc/17/03/01/782170301.db2.gz BVOXEOJAYGZCQU-DTWKUNHWSA-N 0 3 268.321 -1.364 20 0 CAADHN C[C@@H](CNCCF)NC(=O)CNS(=O)(=O)N(C)C ZINC001275328357 782170333 /nfs/dbraw/zinc/17/03/33/782170333.db2.gz OYSLVMVHKJKUAF-QMMMGPOBSA-N 0 3 284.357 -1.554 20 0 CAADHN C[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](C)NCC(N)=O ZINC001275424586 782171247 /nfs/dbraw/zinc/17/12/47/782171247.db2.gz PKSVGVMOMBOAGX-NKWVEPMBSA-N 0 3 258.322 -1.534 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)c1cnn2cc[nH]c12 ZINC001275421813 782171379 /nfs/dbraw/zinc/17/13/79/782171379.db2.gz NOYYTGSOQOQEEB-ZETCQYMHSA-N 0 3 264.289 -1.144 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CCNC(N)=O ZINC001275435360 782171394 /nfs/dbraw/zinc/17/13/94/782171394.db2.gz OIMQHSSCSLZTEC-BQBZGAKWSA-N 0 3 259.310 -1.987 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cnon1 ZINC001275374470 782171623 /nfs/dbraw/zinc/17/16/23/782171623.db2.gz CYDQMQOGFKPCTQ-NKWVEPMBSA-N 0 3 255.278 -1.088 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H](C)CNCC(=O)N2CCC2)CC1 ZINC001275369098 782171748 /nfs/dbraw/zinc/17/17/48/782171748.db2.gz OYCVBVSFRIQRIA-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](CNCC(=O)N(C)C)NC(=O)c1cnon1 ZINC001275374497 782171797 /nfs/dbraw/zinc/17/17/97/782171797.db2.gz DWKKXNPPNKSQGX-ZETCQYMHSA-N 0 3 255.278 -1.134 20 0 CAADHN C[C@@H](NC[C@H](C)NC(=O)CCNC(N)=O)C(N)=O ZINC001275435361 782171905 /nfs/dbraw/zinc/17/19/05/782171905.db2.gz OIMQHSSCSLZTEC-NKWVEPMBSA-N 0 3 259.310 -1.987 20 0 CAADHN CCCCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)C(N)=O ZINC001275482961 782172714 /nfs/dbraw/zinc/17/27/14/782172714.db2.gz XLODYOBDTPUPOR-IUCAKERBSA-N 0 3 272.349 -1.129 20 0 CAADHN CCCCNC(=O)CN[C@H](C)[C@H](C)NC(=O)C(N)=O ZINC001275482959 782172782 /nfs/dbraw/zinc/17/27/82/782172782.db2.gz XLODYOBDTPUPOR-BDAKNGLRSA-N 0 3 272.349 -1.129 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)c1nonc1C ZINC001275477162 782173008 /nfs/dbraw/zinc/17/30/08/782173008.db2.gz WLOZYACGQOKLOT-LURJTMIESA-N 0 3 255.278 -1.168 20 0 CAADHN C[C@H](NCC(=O)NCC1CCC1)[C@H](C)NC(=O)C(N)=O ZINC001275482449 782173135 /nfs/dbraw/zinc/17/31/35/782173135.db2.gz RQYMMQMYXAPGLA-IUCAKERBSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1nnn(C)n1 ZINC001275468660 782173148 /nfs/dbraw/zinc/17/31/48/782173148.db2.gz FRXLIEOEOBRACI-PHDIDXHHSA-N 0 3 255.282 -2.208 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)[C@H](C)NCC(=O)NCC1CCC1 ZINC001275482448 782173221 /nfs/dbraw/zinc/17/32/21/782173221.db2.gz RQYMMQMYXAPGLA-DTWKUNHWSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001275505324 782173906 /nfs/dbraw/zinc/17/39/06/782173906.db2.gz WPEWVTGGFPNPKY-HTQZYQBOSA-N 0 3 253.306 -1.080 20 0 CAADHN CCn1cc(C(=O)N[C@@H](C)[C@@H](C)NCC(N)=O)nn1 ZINC001275527197 782174216 /nfs/dbraw/zinc/17/42/16/782174216.db2.gz JDFYULVIQWYCIW-SFYZADRCSA-N 0 3 268.321 -1.120 20 0 CAADHN C[C@H](NCC(N)=O)[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001275505327 782174257 /nfs/dbraw/zinc/17/42/57/782174257.db2.gz WPEWVTGGFPNPKY-YUMQZZPRSA-N 0 3 253.306 -1.080 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)Cc1c[nH]cn1 ZINC001275505326 782174760 /nfs/dbraw/zinc/17/47/60/782174760.db2.gz WPEWVTGGFPNPKY-SFYZADRCSA-N 0 3 253.306 -1.080 20 0 CAADHN Cc1nonc1C(=O)N[C@@H](C)[C@@H](C)NCC(N)=O ZINC001275580185 782175522 /nfs/dbraw/zinc/17/55/22/782175522.db2.gz JPUKBOUDJQTCRN-RITPCOANSA-N 0 3 255.278 -1.040 20 0 CAADHN Cn1ncc(CN)c1C(=O)N1CCN(CCO)CC1 ZINC000719263112 782177470 /nfs/dbraw/zinc/17/74/70/782177470.db2.gz RKEYDFNBMNDWQK-UHFFFAOYSA-N 0 3 267.333 -1.371 20 0 CAADHN Cn1ncc(CN)c1C(=O)NC[C@H]1COCCN1C ZINC000719202444 782177831 /nfs/dbraw/zinc/17/78/31/782177831.db2.gz AXIORHDENZWAES-JTQLQIEISA-N 0 3 267.333 -1.061 20 0 CAADHN COC[C@@H](O)CN(C)[C@@H](C)CNC(=O)CC(N)=O ZINC001275790738 782179518 /nfs/dbraw/zinc/17/95/18/782179518.db2.gz IYUHKNUOJYYCHS-IUCAKERBSA-N 0 3 261.322 -1.694 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CCNCC2=O)CCN1C ZINC000719445228 782180799 /nfs/dbraw/zinc/18/07/99/782180799.db2.gz VVBBXNAUMWYDBU-ZJUUUORDSA-N 0 3 254.334 -1.373 20 0 CAADHN C[C@@H](CNC(=O)c1nnc[nH]1)N(C)[C@@H]1CCC(=O)NC1=O ZINC001275962793 782183906 /nfs/dbraw/zinc/18/39/06/782183906.db2.gz JRVVLSYRROPRCA-JGVFFNPUSA-N 0 3 294.315 -1.340 20 0 CAADHN CN(C)CCN1CC[C@]2(CCN(S(N)(=O)=O)C2)C1=O ZINC001275945068 782184072 /nfs/dbraw/zinc/18/40/72/782184072.db2.gz IYXAPOJXBWABJV-LLVKDONJSA-N 0 3 290.389 -1.324 20 0 CAADHN CN(C)CCN1C(=O)COCC12CN(S(N)(=O)=O)C2 ZINC001275946252 782184132 /nfs/dbraw/zinc/18/41/32/782184132.db2.gz MNGWNFWJNAKZMC-UHFFFAOYSA-N 0 3 292.361 -2.335 20 0 CAADHN CN(C)CCN1CC[C@@]2(CCCN2S(N)(=O)=O)C1=O ZINC001275948312 782184178 /nfs/dbraw/zinc/18/41/78/782184178.db2.gz YBKGKLRLYSYAOT-NSHDSACASA-N 0 3 290.389 -1.182 20 0 CAADHN CN(C)CCN1CC[C@]2(CCCN2S(N)(=O)=O)C1=O ZINC001275948311 782184568 /nfs/dbraw/zinc/18/45/68/782184568.db2.gz YBKGKLRLYSYAOT-LLVKDONJSA-N 0 3 290.389 -1.182 20 0 CAADHN C[C@H](CNC(=O)Cc1nnc[nH]1)N(C)[C@H](C)C(N)=O ZINC001275969803 782185463 /nfs/dbraw/zinc/18/54/63/782185463.db2.gz HIKNQAKZQCNQEP-HTQZYQBOSA-N 0 3 268.321 -1.343 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)NCCN1CCNC1=O ZINC000891076675 582109308 /nfs/dbraw/zinc/10/93/08/582109308.db2.gz FHHZPKRNYAQURA-LBPRGKRZSA-N 0 3 287.364 -1.377 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)NCCN1CCNC1=O ZINC000891076674 582109367 /nfs/dbraw/zinc/10/93/67/582109367.db2.gz FHHZPKRNYAQURA-GFCCVEGCSA-N 0 3 287.364 -1.377 20 0 CAADHN COC(=O)[C@@H](F)CNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000891273763 582109463 /nfs/dbraw/zinc/10/94/63/582109463.db2.gz OLZZEEXUYAQLPD-KWQFWETISA-N 0 3 277.296 -1.137 20 0 CAADHN COC(=O)[C@@H](F)CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000891277684 582109518 /nfs/dbraw/zinc/10/95/18/582109518.db2.gz JDIAMZHZVQYAFG-AEJSXWLSSA-N 0 3 289.307 -1.042 20 0 CAADHN O=C(N[C@@H]1CNCCC1(F)F)[C@H]1CCS(=O)(=O)N1 ZINC000846677956 582109576 /nfs/dbraw/zinc/10/95/76/582109576.db2.gz HAKGROQVAALAGO-RNFRBKRXSA-N 0 3 283.300 -1.209 20 0 CAADHN CC(=O)N1CCN(C(=O)CN2CC[C@H](CC(N)=O)C2)CC1 ZINC000676871043 582109614 /nfs/dbraw/zinc/10/96/14/582109614.db2.gz KXUPNMILLRKKME-GFCCVEGCSA-N 0 3 296.371 -1.126 20 0 CAADHN CCN1CCCN(C(=O)CNS(=O)(=O)N(C)C)CC1 ZINC000668475957 582109707 /nfs/dbraw/zinc/10/97/07/582109707.db2.gz TUBVLQUREYXKCD-UHFFFAOYSA-N 0 3 292.405 -1.063 20 0 CAADHN O[C@H](CNC1CN(c2ccncn2)C1)CN1CCOCC1 ZINC000634728648 582109872 /nfs/dbraw/zinc/10/98/72/582109872.db2.gz JLFXVAHBIGPSMU-CYBMUJFWSA-N 0 3 293.371 -1.052 20 0 CAADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CCNC1=O ZINC000668501617 582110089 /nfs/dbraw/zinc/11/00/89/582110089.db2.gz PCEHZXIAKJSGOM-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN O=C(CN1CCNCC1)N1CCN(CCO)CC1 ZINC000036231715 582110105 /nfs/dbraw/zinc/11/01/05/582110105.db2.gz XASQUQXJYTXLJP-UHFFFAOYSA-N 0 3 256.350 -1.972 20 0 CAADHN CC(C)[C@H]1CN(C)CCN1C(=O)CNC(=O)CN ZINC000648155619 582110207 /nfs/dbraw/zinc/11/02/07/582110207.db2.gz TWZRWNKMZZDBMD-SNVBAGLBSA-N 0 3 256.350 -1.140 20 0 CAADHN CC(C)[C@@H]1CN(C)CCN1C(=O)CNC(=O)CN ZINC000648155618 582110230 /nfs/dbraw/zinc/11/02/30/582110230.db2.gz TWZRWNKMZZDBMD-JTQLQIEISA-N 0 3 256.350 -1.140 20 0 CAADHN CN1C[C@H]2CCN(C(=O)NCCNS(C)(=O)=O)[C@H]2C1 ZINC000891768044 582110437 /nfs/dbraw/zinc/11/04/37/582110437.db2.gz OPFBZQLTGZVBQV-ZJUUUORDSA-N 0 3 290.389 -1.119 20 0 CAADHN COCCNCCNC(=O)N1CCCNC(=O)C1 ZINC000892057287 582110871 /nfs/dbraw/zinc/11/08/71/582110871.db2.gz XOGAHYLOOCUNDC-UHFFFAOYSA-N 0 3 258.322 -1.246 20 0 CAADHN COCCNCCNC(=O)NCCN1CCNC1=O ZINC000892056510 582110935 /nfs/dbraw/zinc/11/09/35/582110935.db2.gz SZIWOKLMSWSZTE-UHFFFAOYSA-N 0 3 273.337 -1.453 20 0 CAADHN O=C(NC[C@H]1CNCCO1)N1CCCNC(=O)C1 ZINC000892184997 582111036 /nfs/dbraw/zinc/11/10/36/582111036.db2.gz YEHGJZCOFVNKMG-SECBINFHSA-N 0 3 256.306 -1.494 20 0 CAADHN C[C@H]1CN(C(=O)NC[C@H]2CNCCO2)CCS1(=O)=O ZINC000892177907 582111065 /nfs/dbraw/zinc/11/10/65/582111065.db2.gz AJKXKEPWIJLDAY-VHSXEESVSA-N 0 3 291.373 -1.197 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CC[C@H]2CO)CC1=O ZINC000889139992 582111452 /nfs/dbraw/zinc/11/14/52/582111452.db2.gz HJHBYRYILHYLIJ-QWRGUYRKSA-N 0 3 269.345 -1.010 20 0 CAADHN O=C1NC[C@H]2CN(c3ccncc3CO)CCN2C1=O ZINC000892847566 582112208 /nfs/dbraw/zinc/11/22/08/582112208.db2.gz OKTVOFBOERDYRZ-JTQLQIEISA-N 0 3 276.296 -1.279 20 0 CAADHN NC[C@@H]1CC(C(=O)NCCN2CCCC2=O)=NO1 ZINC000852895388 582112230 /nfs/dbraw/zinc/11/22/30/582112230.db2.gz ADGCKRVKEFNRHB-QMMMGPOBSA-N 0 3 254.290 -1.171 20 0 CAADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1nnn(C)n1 ZINC000893225503 582112513 /nfs/dbraw/zinc/11/25/13/582112513.db2.gz HRBOEZSEGKIOKM-GFCCVEGCSA-N 0 3 298.347 -1.371 20 0 CAADHN CC(=O)[C@](C)(O)CN1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535001 582113914 /nfs/dbraw/zinc/11/39/14/582113914.db2.gz BUZXWUPPVXPRPW-VDDIYKPWSA-N 0 3 254.286 -1.127 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N1CC[C@@H]2CN(C)C[C@@H]21 ZINC000894334787 582113922 /nfs/dbraw/zinc/11/39/22/582113922.db2.gz GXOUWTBDHADVOY-ZJUUUORDSA-N 0 3 290.389 -1.119 20 0 CAADHN CNS(=O)(=O)CCNC(=O)N1CC[C@H]2CN(C)C[C@@H]21 ZINC000894334784 582113953 /nfs/dbraw/zinc/11/39/53/582113953.db2.gz GXOUWTBDHADVOY-UWVGGRQHSA-N 0 3 290.389 -1.119 20 0 CAADHN CC(=O)OC[C@H](C)NCCNS(=O)(=O)N(C)C ZINC000894420011 582114033 /nfs/dbraw/zinc/11/40/33/582114033.db2.gz YOHXPVMLABSCMT-QMMMGPOBSA-N 0 3 267.351 -1.076 20 0 CAADHN CC(=O)OC[C@@H](C)NCCNS(=O)(=O)N(C)C ZINC000894420010 582114040 /nfs/dbraw/zinc/11/40/40/582114040.db2.gz YOHXPVMLABSCMT-MRVPVSSYSA-N 0 3 267.351 -1.076 20 0 CAADHN CN(CCO)CCN(C)c1nccnc1C(N)=O ZINC000894590567 582114143 /nfs/dbraw/zinc/11/41/43/582114143.db2.gz IQBLUDJCJOAYEV-UHFFFAOYSA-N 0 3 253.306 -1.064 20 0 CAADHN NC(C(=O)N1CC[C@@H](S(N)(=O)=O)C1)C(F)(F)F ZINC000519545494 582114157 /nfs/dbraw/zinc/11/41/57/582114157.db2.gz QZVXODDNJZSIKA-RFZPGFLSSA-N 0 3 275.252 -1.235 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)CCS(N)(=O)=O ZINC000880085207 582114174 /nfs/dbraw/zinc/11/41/74/582114174.db2.gz FEDQDTWXUOICON-JTQLQIEISA-N 0 3 283.394 -1.854 20 0 CAADHN CN(CCO)CCN(C)c1cc(C(N)=O)ncn1 ZINC000894590221 582114202 /nfs/dbraw/zinc/11/42/02/582114202.db2.gz ALRWKHOEYWKPKH-UHFFFAOYSA-N 0 3 253.306 -1.064 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1C[C@@H]1CCN(C)C1=O ZINC000882163315 582114794 /nfs/dbraw/zinc/11/47/94/582114794.db2.gz PSNMATLGAODGAO-SFYZADRCSA-N 0 3 275.330 -1.128 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1C[C@@H]1CCN(C)C1=O ZINC000882163316 582114834 /nfs/dbraw/zinc/11/48/34/582114834.db2.gz PSNMATLGAODGAO-YUMQZZPRSA-N 0 3 275.330 -1.128 20 0 CAADHN CN(C)CCN1CCC(NC(=S)NCC(N)=O)CC1 ZINC000727074760 582115013 /nfs/dbraw/zinc/11/50/13/582115013.db2.gz QPFJGZPWXRIEBJ-UHFFFAOYSA-N 0 3 287.433 -1.038 20 0 CAADHN O=C(NC1=NCC(=O)N1)C1CN(C2CCOCC2)C1 ZINC000895798180 582115717 /nfs/dbraw/zinc/11/57/17/582115717.db2.gz DCUYPSQFUHAEOM-UHFFFAOYSA-N 0 3 266.301 -1.301 20 0 CAADHN C[C@H]1[C@H](NC(=O)N2CC3(C2)NC(=O)NC3=O)CCN1C ZINC000896617013 582116194 /nfs/dbraw/zinc/11/61/94/582116194.db2.gz HIQRAWLSVJTCFI-JGVFFNPUSA-N 0 3 281.316 -1.318 20 0 CAADHN O=S1(=O)NC[C@H]2CN(c3ccncc3CO)CCN21 ZINC000896595079 582116203 /nfs/dbraw/zinc/11/62/03/582116203.db2.gz MXZCENKXZZWRIR-JTQLQIEISA-N 0 3 284.341 -1.088 20 0 CAADHN O=S1(=O)NC[C@@H]2CN(c3ccnc(CO)c3)CCN21 ZINC000896597373 582116243 /nfs/dbraw/zinc/11/62/43/582116243.db2.gz QSPHQRXDJDMOER-LLVKDONJSA-N 0 3 284.341 -1.088 20 0 CAADHN C[C@@H]1[C@H](NC(=O)N2CC3(C2)NC(=O)NC3=O)CCN1C ZINC000896617012 582116255 /nfs/dbraw/zinc/11/62/55/582116255.db2.gz HIQRAWLSVJTCFI-HTQZYQBOSA-N 0 3 281.316 -1.318 20 0 CAADHN O=C(NCCn1ncnn1)C1CN(C2CCOCC2)C1 ZINC000896980484 582116525 /nfs/dbraw/zinc/11/65/25/582116525.db2.gz WTGALDKFDZQMNL-UHFFFAOYSA-N 0 3 280.332 -1.100 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)CN1CCCCC(=O)C1=O ZINC000866921043 582116766 /nfs/dbraw/zinc/11/67/66/582116766.db2.gz JNMHQNYNZSYJEJ-AWEZNQCLSA-N 0 3 299.371 -1.003 20 0 CAADHN COC(=O)[C@@H](CO)NC(=O)C1CN(C2CCOCC2)C1 ZINC000897376112 582117232 /nfs/dbraw/zinc/11/72/32/582117232.db2.gz NBYDRHAZONNZQY-LLVKDONJSA-N 0 3 286.328 -1.253 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)C2CN([C@H]3CCOC3)C2)C1 ZINC000897397994 582117278 /nfs/dbraw/zinc/11/72/78/582117278.db2.gz PLTBEPKVFJWJHE-GXTWGEPZSA-N 0 3 283.372 -1.110 20 0 CAADHN CN1CC[C@](O)(CNC(=O)c2cccn3nnnc23)C1 ZINC000897397601 582117317 /nfs/dbraw/zinc/11/73/17/582117317.db2.gz CSTNJLZCTFTQQK-LBPRGKRZSA-N 0 3 276.300 -1.079 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)C2CN([C@@H]3CCOC3)C2)C1 ZINC000897397997 582117333 /nfs/dbraw/zinc/11/73/33/582117333.db2.gz PLTBEPKVFJWJHE-TZMCWYRMSA-N 0 3 283.372 -1.110 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)C[C@@H](C)N ZINC000861649150 582117440 /nfs/dbraw/zinc/11/74/40/582117440.db2.gz DBCJPJCDIVHCDW-IWSPIJDZSA-N 0 3 279.362 -1.213 20 0 CAADHN CCOC(=O)C[C@@H](O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000863329126 582117721 /nfs/dbraw/zinc/11/77/21/582117721.db2.gz KQWNSGWKBAFLGB-JGVFFNPUSA-N 0 3 294.329 -1.292 20 0 CAADHN CN(CCNC(=O)C(=O)NCCN1CCNC1=O)C1CC1 ZINC000897550565 582118091 /nfs/dbraw/zinc/11/80/91/582118091.db2.gz NUNOMIZREZZYHY-UHFFFAOYSA-N 0 3 297.359 -1.662 20 0 CAADHN O=C(C1CN([C@@H]2CCOC2)C1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000898084781 582119171 /nfs/dbraw/zinc/11/91/71/582119171.db2.gz NKYDCCWTSSMDGU-TZMCWYRMSA-N 0 3 295.383 -1.016 20 0 CAADHN Cn1ccc(NC(=O)[C@H]2CN3CCN2CCC3)nc1=O ZINC000898129153 582119403 /nfs/dbraw/zinc/11/94/03/582119403.db2.gz OWAXNEKEBGMJGG-SNVBAGLBSA-N 0 3 277.328 -1.057 20 0 CAADHN Cn1c(CNC(=O)N2CCN(C)CC2)n[nH]c1=O ZINC000889597720 582119555 /nfs/dbraw/zinc/11/95/55/582119555.db2.gz QIHZBLPVXYFUAC-UHFFFAOYSA-N 0 3 254.294 -1.022 20 0 CAADHN NC(=O)NCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000898523747 582119672 /nfs/dbraw/zinc/11/96/72/582119672.db2.gz CVRZSTJUWVGZRH-VIFPVBQESA-N 0 3 255.322 -1.839 20 0 CAADHN CN1CCC(CNC(=O)CO)(N2CCOCC2)CC1 ZINC000899162029 582120470 /nfs/dbraw/zinc/12/04/70/582120470.db2.gz UMWVOKDBXWVHFO-UHFFFAOYSA-N 0 3 271.361 -1.109 20 0 CAADHN O=C(NCCN1CC[C@H](O)C1)C1CN([C@H]2CCOC2)C1 ZINC000899154115 582120495 /nfs/dbraw/zinc/12/04/95/582120495.db2.gz LORCZFAHLCUCPI-STQMWFEESA-N 0 3 283.372 -1.110 20 0 CAADHN CCNS(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645835649 582120979 /nfs/dbraw/zinc/12/09/79/582120979.db2.gz WZYDLQGMEHFJGC-SECBINFHSA-N 0 3 278.378 -1.108 20 0 CAADHN CNS(=O)(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC000645835207 582120999 /nfs/dbraw/zinc/12/09/99/582120999.db2.gz KZHVBBUAWVVUEV-MRVPVSSYSA-N 0 3 264.351 -1.498 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)N1CCC1 ZINC000645836200 582121007 /nfs/dbraw/zinc/12/10/07/582121007.db2.gz IWTYVTWTNVFLLG-SNVBAGLBSA-N 0 3 290.389 -1.011 20 0 CAADHN O=C(NCCN1CCNC1=O)[C@@H]1CN2CCN1CCC2 ZINC000899472428 582121048 /nfs/dbraw/zinc/12/10/48/582121048.db2.gz QUCRZRWADNWATH-NSHDSACASA-N 0 3 281.360 -1.482 20 0 CAADHN CN(C)CCn1cc(CN2CCNC(=O)C2)nn1 ZINC000899696129 582121171 /nfs/dbraw/zinc/12/11/71/582121171.db2.gz VAXOHGIOFIRZCW-UHFFFAOYSA-N 0 3 252.322 -1.229 20 0 CAADHN NC(=O)CNC(=S)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000899667154 582121180 /nfs/dbraw/zinc/12/11/80/582121180.db2.gz NVXZTEFYTBTLJN-ZJUUUORDSA-N 0 3 286.401 -1.123 20 0 CAADHN CN(CCO)CCNC(=O)CCN1CCCS1(=O)=O ZINC000899731957 582121851 /nfs/dbraw/zinc/12/18/51/582121851.db2.gz RSFZTOUALCQFLQ-UHFFFAOYSA-N 0 3 293.389 -1.548 20 0 CAADHN CN(CCO)CCNC(=O)Cn1ccccc1=O ZINC000899728766 582121952 /nfs/dbraw/zinc/12/19/52/582121952.db2.gz XFAMBPOQMRKSSX-UHFFFAOYSA-N 0 3 253.302 -1.111 20 0 CAADHN C[C@H](CN1CCOCC1)C(=O)NCCN(C)CCO ZINC000899736463 582122210 /nfs/dbraw/zinc/12/22/10/582122210.db2.gz GJJSDXGSRPRYFL-GFCCVEGCSA-N 0 3 273.377 -1.005 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCN(C)CCO ZINC000899736609 582122296 /nfs/dbraw/zinc/12/22/96/582122296.db2.gz MQSGLQOQJFNCQU-NSHDSACASA-N 0 3 259.350 -1.253 20 0 CAADHN CN(CCO)CCNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC000899740268 582122373 /nfs/dbraw/zinc/12/23/73/582122373.db2.gz IEODSGIVGAYUEQ-UHFFFAOYSA-N 0 3 297.359 -1.579 20 0 CAADHN CN(CCO)CCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC000899738292 582122379 /nfs/dbraw/zinc/12/23/79/582122379.db2.gz WIQKJRHNVSJZDE-LBPRGKRZSA-N 0 3 257.334 -1.057 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1CCCN(C)C1=O ZINC000899738683 582122418 /nfs/dbraw/zinc/12/24/18/582122418.db2.gz LJVVSDNJXLCKNV-JTQLQIEISA-N 0 3 257.334 -1.105 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000899730460 582122435 /nfs/dbraw/zinc/12/24/35/582122435.db2.gz YKDZGNSGZNSHEX-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN COC(=O)[C@@H]1O[C@@H](C(=O)NCCN(C)CCO)C[C@H]1C ZINC000899741669 582122501 /nfs/dbraw/zinc/12/25/01/582122501.db2.gz UTCLTBLMHBYJFY-GMTAPVOTSA-N 0 3 288.344 -1.007 20 0 CAADHN CCn1nc(C(=O)NCCN(C)CCO)ccc1=O ZINC000899733848 582122508 /nfs/dbraw/zinc/12/25/08/582122508.db2.gz KXMHHRRCHKRBGD-UHFFFAOYSA-N 0 3 268.317 -1.083 20 0 CAADHN CN(CCO)CCNC(=O)CN1CCN(C2CC2)C1=O ZINC000899740735 582122512 /nfs/dbraw/zinc/12/25/12/582122512.db2.gz HDUHOGKOGYAAHF-UHFFFAOYSA-N 0 3 284.360 -1.073 20 0 CAADHN CC[C@@]1(C(=O)NCCN(C)CCO)CCNC1=O ZINC000899742209 582122522 /nfs/dbraw/zinc/12/25/22/582122522.db2.gz TWYXQYAZBADTEL-GFCCVEGCSA-N 0 3 257.334 -1.057 20 0 CAADHN CCN(CC)S(=O)(=O)CC(=O)NCCN(C)CCO ZINC000899733978 582122526 /nfs/dbraw/zinc/12/25/26/582122526.db2.gz PIIDBPBJXBGPNV-UHFFFAOYSA-N 0 3 295.405 -1.302 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H]1CC[C@H](C(N)=O)C1 ZINC000899742215 582122529 /nfs/dbraw/zinc/12/25/29/582122529.db2.gz UFDFYOPOVZFLLC-VHSXEESVSA-N 0 3 257.334 -1.072 20 0 CAADHN COC(=O)c1cc(C(=O)NCCN(C)CCO)n(C)n1 ZINC000899741994 582122598 /nfs/dbraw/zinc/12/25/98/582122598.db2.gz YNKCMKCFNPBEAZ-UHFFFAOYSA-N 0 3 284.316 -1.139 20 0 CAADHN CN(C(=O)CN1CCNC(=O)C1)C1CCN(C)CC1 ZINC000899909492 582122909 /nfs/dbraw/zinc/12/29/09/582122909.db2.gz PVYXZAIXZLSSBC-UHFFFAOYSA-N 0 3 268.361 -1.029 20 0 CAADHN CN1CCC[C@@](O)(CC(=O)N2CCNC(=O)C2)C1 ZINC000899952046 582123006 /nfs/dbraw/zinc/12/30/06/582123006.db2.gz QJUHWYHATQDKOE-GFCCVEGCSA-N 0 3 255.318 -1.208 20 0 CAADHN CN(C)CCN1CCN(C(=O)c2nnn(C)n2)CC1 ZINC000900007593 582123103 /nfs/dbraw/zinc/12/31/03/582123103.db2.gz QKDMOPCYGHYDQP-UHFFFAOYSA-N 0 3 267.337 -1.471 20 0 CAADHN COC[C@@](C)(CC(=O)OC)NC(=O)[C@@H](N)CN(C)C ZINC000876701147 582123354 /nfs/dbraw/zinc/12/33/54/582123354.db2.gz NZLZCIIEQQAOJD-JOYOIKCWSA-N 0 3 275.349 -1.040 20 0 CAADHN CCOC(=O)NCC(=O)N1CCN(C)C[C@@H]1CN ZINC000496231800 582123666 /nfs/dbraw/zinc/12/36/66/582123666.db2.gz ZPXOSPBBQOLPLV-VIFPVBQESA-N 0 3 258.322 -1.166 20 0 CAADHN CNC(=O)NCC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000760214749 582123913 /nfs/dbraw/zinc/12/39/13/582123913.db2.gz LNHKWAPQDJMSRW-ZJUUUORDSA-N 0 3 270.333 -1.105 20 0 CAADHN CCNS(=O)(=O)CCNC(=S)NCCN(C)C ZINC000731569074 582124498 /nfs/dbraw/zinc/12/44/98/582124498.db2.gz XCVVPWVUKVPLJM-UHFFFAOYSA-N 0 3 282.435 -1.049 20 0 CAADHN CC(C)(C(N)=O)N1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000649342728 582126233 /nfs/dbraw/zinc/12/62/33/582126233.db2.gz LNPZGGMTIXHJMM-UHFFFAOYSA-N 0 3 298.387 -1.227 20 0 CAADHN CN(C)CCNC(=S)NCCN1C(=O)CNC1=O ZINC000733210134 582126311 /nfs/dbraw/zinc/12/63/11/582126311.db2.gz SHNHIVADUPGDFJ-UHFFFAOYSA-N 0 3 273.362 -1.436 20 0 CAADHN CN1CCC[C@H]1CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000735053724 582128217 /nfs/dbraw/zinc/12/82/17/582128217.db2.gz JWHPLZSNKKPIQC-VIFPVBQESA-N 0 3 280.328 -1.092 20 0 CAADHN C[C@H](OC(=O)C1CCN(C)C1=O)C(=O)N1CCNC1=O ZINC000772504985 582133757 /nfs/dbraw/zinc/13/37/57/582133757.db2.gz AFNRTGWWNSAVGZ-JGVFFNPUSA-N 0 3 283.284 -1.052 20 0 CAADHN CN(CCO)C1CC[NH+](CCC(=O)NCC(=O)[O-])CC1 ZINC000737448517 582136901 /nfs/dbraw/zinc/13/69/01/582136901.db2.gz BFJYDYIZVLJXFD-UHFFFAOYSA-N 0 3 287.360 -1.034 20 0 CAADHN COCCCN(C)CCNC(=S)NCC(N)=O ZINC000741510617 582140424 /nfs/dbraw/zinc/14/04/24/582140424.db2.gz RLLWRMJLVPVGFB-UHFFFAOYSA-N 0 3 262.379 -1.096 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN1CCC[C@H]1C ZINC000742240649 582140577 /nfs/dbraw/zinc/14/05/77/582140577.db2.gz SDUWNJNRQVCOLS-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCC[S@@](C)=O)CC1=O ZINC000742252090 582140724 /nfs/dbraw/zinc/14/07/24/582140724.db2.gz XICITRQUCURDSK-GIGQVBGESA-N 0 3 289.401 -1.109 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NCC[S@@](C)=O)CC1=O ZINC000742252084 582140825 /nfs/dbraw/zinc/14/08/25/582140825.db2.gz XICITRQUCURDSK-APBUJDDRSA-N 0 3 289.401 -1.109 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)NC(CO)CO ZINC000745800459 582141438 /nfs/dbraw/zinc/14/14/38/582141438.db2.gz APQQSWURFCZHCX-GHMZBOCLSA-N 0 3 273.333 -1.498 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)c2nc[nH]n2)CC1 ZINC000746178515 582141467 /nfs/dbraw/zinc/14/14/67/582141467.db2.gz INDNCJOHEHWMHS-UHFFFAOYSA-N 0 3 266.305 -1.301 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N2CCCNC(=O)C2)CC1=O ZINC000746199398 582141500 /nfs/dbraw/zinc/14/15/00/582141500.db2.gz AVKYRYBOSBNKAI-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN CCN(CC(=O)NC)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000746257874 582141619 /nfs/dbraw/zinc/14/16/19/582141619.db2.gz HAQPXLMHVQZQAB-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCNC(N)=O)CC1=O ZINC000746272065 582141646 /nfs/dbraw/zinc/14/16/46/582141646.db2.gz HQKADKFREMEWDK-SECBINFHSA-N 0 3 285.348 -1.819 20 0 CAADHN CCN(CC)S(=O)(=O)N1CCN(C(=O)CN)CC1 ZINC000746298787 582141657 /nfs/dbraw/zinc/14/16/57/582141657.db2.gz JOGDCAFSEQBNFW-UHFFFAOYSA-N 0 3 278.378 -1.324 20 0 CAADHN CCN(CC(=O)NC)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000746257870 582141687 /nfs/dbraw/zinc/14/16/87/582141687.db2.gz HAQPXLMHVQZQAB-LLVKDONJSA-N 0 3 298.387 -1.009 20 0 CAADHN CN(C)CCNC(=S)N1CCO[C@H](C(N)=O)C1 ZINC000747623078 582142029 /nfs/dbraw/zinc/14/20/29/582142029.db2.gz CEFKWGBFLZZYBX-QMMMGPOBSA-N 0 3 260.363 -1.391 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000752480653 582143858 /nfs/dbraw/zinc/14/38/58/582143858.db2.gz FBTDVGOPIJLOSS-ZDUSSCGKSA-N 0 3 298.343 -1.874 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000752480643 582143879 /nfs/dbraw/zinc/14/38/79/582143879.db2.gz FBTDVGOPIJLOSS-CYBMUJFWSA-N 0 3 298.343 -1.874 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NCC1CC1 ZINC000752907439 582143965 /nfs/dbraw/zinc/14/39/65/582143965.db2.gz RNJMRCCUKKHURS-ZETCQYMHSA-N 0 3 275.330 -1.080 20 0 CAADHN CCOC(=O)COCCN1C(C)C(=O)N(C)S1(=O)=O ZINC000752888324 582144007 /nfs/dbraw/zinc/14/40/07/582144007.db2.gz XRGMHERUCZANBL-MRVPVSSYSA-N 0 3 294.329 -1.027 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)NC1CC1 ZINC000752885651 582144024 /nfs/dbraw/zinc/14/40/24/582144024.db2.gz URSKXHMYVSQKMG-LURJTMIESA-N 0 3 261.303 -1.328 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CC(=O)N1CCOCC1 ZINC000752877824 582144076 /nfs/dbraw/zinc/14/40/76/582144076.db2.gz FGAQAOQSAQKZNB-MRVPVSSYSA-N 0 3 291.329 -1.748 20 0 CAADHN CC(C)NC(=O)CN1C(C)C(=O)N(C)S1(=O)=O ZINC000752879460 582144095 /nfs/dbraw/zinc/14/40/95/582144095.db2.gz JOXRODCFJIGWCO-SSDOTTSWSA-N 0 3 263.319 -1.082 20 0 CAADHN CN(C)CCOCCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000753437815 582144269 /nfs/dbraw/zinc/14/42/69/582144269.db2.gz BHRPXKRYGYZEIE-UHFFFAOYSA-N 0 3 298.343 -1.608 20 0 CAADHN C[NH+](C)CCn1cc(NC([O-])=NOCC(N)=O)cn1 ZINC000756831781 582145264 /nfs/dbraw/zinc/14/52/64/582145264.db2.gz YJGAWBBQNZISGG-UHFFFAOYSA-N 0 3 270.293 -1.017 20 0 CAADHN Cn1ncc(CNC(=O)[C@H]2CN3CCN2CCC3)n1 ZINC000805207013 582147601 /nfs/dbraw/zinc/14/76/01/582147601.db2.gz VLRQESQUZSTGMP-LLVKDONJSA-N 0 3 264.333 -1.179 20 0 CAADHN COC(=O)CC(C)(C)NCC(=O)N1CCNC(=O)C1 ZINC000761200223 582147790 /nfs/dbraw/zinc/14/77/90/582147790.db2.gz ILMFLCQDBXPTSR-UHFFFAOYSA-N 0 3 271.317 -1.124 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)C2=NN(CCO)C(=O)CC2)C1 ZINC000762721277 582148241 /nfs/dbraw/zinc/14/82/41/582148241.db2.gz KBWOKIPCZSHXNE-CYBMUJFWSA-N 0 3 298.343 -1.860 20 0 CAADHN O=C(CN[C@H](CCO)C1CC1)N1CCNC(=O)C1 ZINC000763059770 582148520 /nfs/dbraw/zinc/14/85/20/582148520.db2.gz RUTIFXVGARBTHA-SNVBAGLBSA-N 0 3 255.318 -1.305 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CCCNC(=O)C1 ZINC000764094648 582148873 /nfs/dbraw/zinc/14/88/73/582148873.db2.gz PNLZYMRUZWFWJQ-NSHDSACASA-N 0 3 266.345 -1.275 20 0 CAADHN CCN(CC(=O)NC)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000763804261 582148887 /nfs/dbraw/zinc/14/88/87/582148887.db2.gz CEHHFVRVUGFASV-NSHDSACASA-N 0 3 268.361 -1.029 20 0 CAADHN Cn1cc([C@@H](O)CNC(=O)[C@H]2CN3CCN2CCC3)cn1 ZINC000764370238 582149143 /nfs/dbraw/zinc/14/91/43/582149143.db2.gz SOIXPWQNHIIZNU-OLZOCXBDSA-N 0 3 293.371 -1.040 20 0 CAADHN Cn1cc([C@@H](O)CNC(=O)[C@@H]2CN3CCN2CCC3)cn1 ZINC000764370242 582149262 /nfs/dbraw/zinc/14/92/62/582149262.db2.gz SOIXPWQNHIIZNU-STQMWFEESA-N 0 3 293.371 -1.040 20 0 CAADHN CCN(CCO)CCNC(=S)NCC(=O)N(C)C ZINC000768783128 582151734 /nfs/dbraw/zinc/15/17/34/582151734.db2.gz BMEWDUBPVKFYDD-UHFFFAOYSA-N 0 3 276.406 -1.147 20 0 CAADHN Cc1cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)nc(N)n1 ZINC000768536040 582151745 /nfs/dbraw/zinc/15/17/45/582151745.db2.gz RNJZHEXEQQKNOK-QMMMGPOBSA-N 0 3 276.300 -1.486 20 0 CAADHN Cc1cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nc(N)n1 ZINC000768535998 582151806 /nfs/dbraw/zinc/15/18/06/582151806.db2.gz RNJZHEXEQQKNOK-MRVPVSSYSA-N 0 3 276.300 -1.486 20 0 CAADHN CCN(CCO)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000769635423 582151977 /nfs/dbraw/zinc/15/19/77/582151977.db2.gz KGSJWRMWPNSDPE-UHFFFAOYSA-N 0 3 298.343 -1.872 20 0 CAADHN Cn1c2[n-]c(C[NH2+][C@@H](CO)C3CC3)nc2c(=O)n(C)c1=O ZINC000771804295 582152836 /nfs/dbraw/zinc/15/28/36/582152836.db2.gz DJYPTIHBCKSCSD-QMMMGPOBSA-N 0 3 293.327 -1.179 20 0 CAADHN Cn1c2[n-]c(C[NH2+][C@H](CO)C3CC3)nc2c(=O)n(C)c1=O ZINC000771804291 582152853 /nfs/dbraw/zinc/15/28/53/582152853.db2.gz DJYPTIHBCKSCSD-MRVPVSSYSA-N 0 3 293.327 -1.179 20 0 CAADHN CN(C)CCNC(=S)NCCc1nnnn1C ZINC000771538995 582152886 /nfs/dbraw/zinc/15/28/86/582152886.db2.gz LORCFPQCGDUUFJ-UHFFFAOYSA-N 0 3 257.367 -1.222 20 0 CAADHN NC(=O)NC(=O)OCCCN1C[C@H](O)C[C@H](O)C1 ZINC000772199265 582153153 /nfs/dbraw/zinc/15/31/53/582153153.db2.gz NNDOBYAKKPKLJY-OCAPTIKFSA-N 0 3 261.278 -1.391 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCN(C)C1=O ZINC000772534067 582153562 /nfs/dbraw/zinc/15/35/62/582153562.db2.gz SCENPMHRZHLVLI-RNFRBKRXSA-N 0 3 271.273 -1.148 20 0 CAADHN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NC1CCN(C)CC1 ZINC000774855119 582154955 /nfs/dbraw/zinc/15/49/55/582154955.db2.gz OPJDNDHCIPUNSF-SNVBAGLBSA-N 0 3 296.371 -1.114 20 0 CAADHN C[NH+](C)CCn1ccc(NC([O-])=NOCC(N)=O)n1 ZINC000775520468 582155360 /nfs/dbraw/zinc/15/53/60/582155360.db2.gz SVMMUIKRIJRYCG-UHFFFAOYSA-N 0 3 270.293 -1.017 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1C[C@@H](O)C[C@H]1CO ZINC000776134826 582155458 /nfs/dbraw/zinc/15/54/58/582155458.db2.gz IXQVWHHDDCWZGR-MROQNXINSA-N 0 3 299.371 -1.013 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1C[C@H](O)C[C@H]1CO ZINC000776134830 582155482 /nfs/dbraw/zinc/15/54/82/582155482.db2.gz IXQVWHHDDCWZGR-XQHKEYJVSA-N 0 3 299.371 -1.013 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1C[C@@H](O)C[C@H]1CO ZINC000776134828 582155493 /nfs/dbraw/zinc/15/54/93/582155493.db2.gz IXQVWHHDDCWZGR-VOAKCMCISA-N 0 3 299.371 -1.013 20 0 CAADHN O=C1[N-]C(=O)N2CCN(C[C@@H](O)C[NH+]3CCCC3)C[C@H]12 ZINC000778952949 582156980 /nfs/dbraw/zinc/15/69/80/582156980.db2.gz IGWMNJYRYJPGJA-WDEREUQCSA-N 0 3 282.344 -1.321 20 0 CAADHN O=C1[N-]C(=O)N2CCN(C[C@H](O)C[NH+]3CCCC3)C[C@H]12 ZINC000778952943 582157033 /nfs/dbraw/zinc/15/70/33/582157033.db2.gz IGWMNJYRYJPGJA-GHMZBOCLSA-N 0 3 282.344 -1.321 20 0 CAADHN O=C1[N-]C(=O)N2CCN(C[C@H](O)C[NH+]3CCCC3)C[C@@H]12 ZINC000778952947 582157070 /nfs/dbraw/zinc/15/70/70/582157070.db2.gz IGWMNJYRYJPGJA-MNOVXSKESA-N 0 3 282.344 -1.321 20 0 CAADHN C[C@H]1CCCN1CCNC(=O)C(=O)NCC(=O)N(C)C ZINC000782638869 582159163 /nfs/dbraw/zinc/15/91/63/582159163.db2.gz WYTBRGIVBCDCHS-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN NC(=O)C1=NO[C@@H](CNC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000793902573 582164122 /nfs/dbraw/zinc/16/41/22/582164122.db2.gz MTRYUWGIUFWBAH-KOLCDFICSA-N 0 3 295.343 -1.877 20 0 CAADHN C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000793939616 582164382 /nfs/dbraw/zinc/16/43/82/582164382.db2.gz XINGDIOGGQMMIM-JTQLQIEISA-N 0 3 296.371 -1.114 20 0 CAADHN COC(=O)[C@]12CN(CCS(N)(=O)=O)C[C@H]1COCC2 ZINC000796523099 582166121 /nfs/dbraw/zinc/16/61/21/582166121.db2.gz DFPUFZKQBLKINQ-GXSJLCMTSA-N 0 3 292.357 -1.214 20 0 CAADHN CC[C@H](O)CN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000799308676 582167406 /nfs/dbraw/zinc/16/74/06/582167406.db2.gz BBGSFXNRMHVFFS-SRVKXCTJSA-N 0 3 292.401 -1.155 20 0 CAADHN CN(C)C1(C(=O)N2CC[C@](O)(C(N)=O)C2)CCC1 ZINC000803163051 582168447 /nfs/dbraw/zinc/16/84/47/582168447.db2.gz MNFJLDLQFNXCOM-GFCCVEGCSA-N 0 3 255.318 -1.081 20 0 CAADHN C[C@@H](CO)N(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804056235 582168615 /nfs/dbraw/zinc/16/86/15/582168615.db2.gz QSUQKLXFAPXYNM-SRVKXCTJSA-N 0 3 299.371 -1.195 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@H]1CCOC1 ZINC000804058708 582168686 /nfs/dbraw/zinc/16/86/86/582168686.db2.gz IKWADQQNBAXRBV-SDDRHHMPSA-N 0 3 297.355 -1.129 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CCOC1 ZINC000804058705 582168719 /nfs/dbraw/zinc/16/87/19/582168719.db2.gz IKWADQQNBAXRBV-IJLUTSLNSA-N 0 3 297.355 -1.129 20 0 CAADHN CCN(CCO)C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804054810 582168744 /nfs/dbraw/zinc/16/87/44/582168744.db2.gz BPFRIVWZTZVVRU-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)C[C@@](C)(O)CNC(=O)NCc1cnn(C)n1 ZINC000807568505 582169240 /nfs/dbraw/zinc/16/92/40/582169240.db2.gz XWNUZKIYAUIGKR-NSHDSACASA-N 0 3 270.337 -1.073 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NCCn2cnnn2)CC1=O ZINC000807919134 582169492 /nfs/dbraw/zinc/16/94/92/582169492.db2.gz PWZKCUQNAYMVFH-SNVBAGLBSA-N 0 3 295.347 -1.801 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)O[C@H]2CNOC2)CC1=O ZINC000808089898 582169789 /nfs/dbraw/zinc/16/97/89/582169789.db2.gz SMJOFCLLDVOMML-UWVGGRQHSA-N 0 3 271.317 -1.157 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000808175428 582169910 /nfs/dbraw/zinc/16/99/10/582169910.db2.gz VBMKSJIUNXOUFG-NXEZZACHSA-N 0 3 257.334 -1.107 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000808175431 582169913 /nfs/dbraw/zinc/16/99/13/582169913.db2.gz VBMKSJIUNXOUFG-VHSXEESVSA-N 0 3 257.334 -1.107 20 0 CAADHN NC(=O)CSCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000808220135 582170055 /nfs/dbraw/zinc/17/00/55/582170055.db2.gz YMIVFIHYLZXDQK-SECBINFHSA-N 0 3 275.374 -1.222 20 0 CAADHN O=C(N[C@H](CO)CN1CCCC1)[C@@H]1CCC(=O)N1 ZINC000808219927 582170067 /nfs/dbraw/zinc/17/00/67/582170067.db2.gz UFRUGYGKKDKXNT-UWVGGRQHSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H](CO)CN1CCCC1 ZINC000808222058 582170076 /nfs/dbraw/zinc/17/00/76/582170076.db2.gz JMXSLJGMQDFHRO-SECBINFHSA-N 0 3 254.294 -1.754 20 0 CAADHN O=C(N[C@@H](CO)CN1CCCC1)[C@@H]1CCC(=O)N1 ZINC000808219931 582170124 /nfs/dbraw/zinc/17/01/24/582170124.db2.gz UFRUGYGKKDKXNT-ZJUUUORDSA-N 0 3 255.318 -1.162 20 0 CAADHN CN1C[C@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)[C@H]2C1 ZINC000814143893 582172547 /nfs/dbraw/zinc/17/25/47/582172547.db2.gz CFEUCUGWSCQCDS-KOLCDFICSA-N 0 3 292.339 -1.140 20 0 CAADHN CN1C[C@H]2CCN(C(=O)c3cn(C)c(=O)n(C)c3=O)[C@@H]2C1 ZINC000814143894 582172604 /nfs/dbraw/zinc/17/26/04/582172604.db2.gz CFEUCUGWSCQCDS-MWLCHTKSSA-N 0 3 292.339 -1.140 20 0 CAADHN COC(=O)NCC(=O)N[C@H](CO)CN1CCCC1 ZINC000816625910 582174250 /nfs/dbraw/zinc/17/42/50/582174250.db2.gz PWQCKZXOXHEESU-VIFPVBQESA-N 0 3 259.306 -1.085 20 0 CAADHN CCOC(=O)C(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000818218208 582175637 /nfs/dbraw/zinc/17/56/37/582175637.db2.gz ZSLHIHVNMLJHGZ-BDAKNGLRSA-N 0 3 269.301 -1.433 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@@H]3C[C@@H]3N)CCN2C1=O ZINC000818157950 582175666 /nfs/dbraw/zinc/17/56/66/582175666.db2.gz AFJXMQNHCYOLHD-VGMNWLOBSA-N 0 3 266.301 -1.172 20 0 CAADHN CS(=O)(=O)CCOCCNC(=O)[C@@H]1C[C@@H]1N ZINC000818138072 582175717 /nfs/dbraw/zinc/17/57/17/582175717.db2.gz FLWXEYGGGHHGTI-SFYZADRCSA-N 0 3 250.320 -1.489 20 0 CAADHN O=C(CNC1CC1)NCCS(=O)(=O)N1CCOCC1 ZINC000818436068 582175960 /nfs/dbraw/zinc/17/59/60/582175960.db2.gz CGOCEMGXCKVGQR-UHFFFAOYSA-N 0 3 291.373 -1.483 20 0 CAADHN CCNS(=O)(=O)CCNC[C@@H](O)COCC ZINC000819044107 582177046 /nfs/dbraw/zinc/17/70/46/582177046.db2.gz ZSMUDYFQVFUPLN-SECBINFHSA-N 0 3 254.352 -1.087 20 0 CAADHN CCNS(=O)(=O)CCNC[C@H](O)COCC ZINC000819044111 582177067 /nfs/dbraw/zinc/17/70/67/582177067.db2.gz ZSMUDYFQVFUPLN-VIFPVBQESA-N 0 3 254.352 -1.087 20 0 CAADHN CCNS(=O)(=O)CCNC[C@H](O)Cn1cccn1 ZINC000819042096 582177117 /nfs/dbraw/zinc/17/71/17/582177117.db2.gz DZXKWGHVVGRMJC-JTQLQIEISA-N 0 3 276.362 -1.227 20 0 CAADHN CN(C[C@H](O)CNC[C@@H]1CC(C(N)=O)=NO1)C1CC1 ZINC000819252786 582177375 /nfs/dbraw/zinc/17/73/75/582177375.db2.gz KRNPPPQQBJGNRH-ZJUUUORDSA-N 0 3 270.333 -1.339 20 0 CAADHN CON(C)C(=O)CCNCCNS(=O)(=O)NC(C)C ZINC000819263979 582177392 /nfs/dbraw/zinc/17/73/92/582177392.db2.gz HWKDDVUFOSCJCY-UHFFFAOYSA-N 0 3 296.393 -1.182 20 0 CAADHN CN(C[C@@H](O)CNC[C@H]1CC(C(N)=O)=NO1)C1CC1 ZINC000819252785 582177438 /nfs/dbraw/zinc/17/74/38/582177438.db2.gz KRNPPPQQBJGNRH-VHSXEESVSA-N 0 3 270.333 -1.339 20 0 CAADHN CON(C)C(=O)CCNCCS(=O)(=O)N(C)C ZINC000819323499 582177463 /nfs/dbraw/zinc/17/74/63/582177463.db2.gz OANBPWWKKZKRMQ-UHFFFAOYSA-N 0 3 267.351 -1.123 20 0 CAADHN CN(C[C@H](O)CNC[C@H]1CC(C(N)=O)=NO1)C1CC1 ZINC000819252783 582177471 /nfs/dbraw/zinc/17/74/71/582177471.db2.gz KRNPPPQQBJGNRH-NXEZZACHSA-N 0 3 270.333 -1.339 20 0 CAADHN CCOCC[C@@H](O)CNC[C@H]1CC(C(N)=O)=NO1 ZINC000819253475 582177475 /nfs/dbraw/zinc/17/74/75/582177475.db2.gz OXMMDTTZTJZKCX-RKDXNWHRSA-N 0 3 259.306 -1.006 20 0 CAADHN NC(=O)NC1(C(=O)N[C@@H](CO)CN2CCCC2)CC1 ZINC000819836926 582178299 /nfs/dbraw/zinc/17/82/99/582178299.db2.gz FOZLZZFKNVLTTI-SECBINFHSA-N 0 3 270.333 -1.240 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000819837715 582178309 /nfs/dbraw/zinc/17/83/09/582178309.db2.gz QIYMNTMPTUUXPN-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@@H](O)c1cn(CC(=O)N[C@H](CO)CN2CCCC2)nn1 ZINC000819837825 582178311 /nfs/dbraw/zinc/17/83/11/582178311.db2.gz SNUBGDPEXHGCNX-MNOVXSKESA-N 0 3 297.359 -1.096 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)CN(C)C ZINC000820238158 582179392 /nfs/dbraw/zinc/17/93/92/582179392.db2.gz CRIMNWFNVPLEHY-IUCAKERBSA-N 0 3 291.373 -1.787 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)CN(C)C ZINC000820238152 582179431 /nfs/dbraw/zinc/17/94/31/582179431.db2.gz CRIMNWFNVPLEHY-BDAKNGLRSA-N 0 3 291.373 -1.787 20 0 CAADHN CN(C)C[C@](C)(O)CNC(=O)CN1CCOC1=O ZINC000821245488 582181623 /nfs/dbraw/zinc/18/16/23/582181623.db2.gz CZGOZDURCGVNRA-LLVKDONJSA-N 0 3 259.306 -1.133 20 0 CAADHN CN(C)CC(=O)N1CCN(C(=O)C2=NC(=O)N(C)C2)CC1 ZINC000821727139 582183404 /nfs/dbraw/zinc/18/34/04/582183404.db2.gz AKVSFKDHIFDXEP-UHFFFAOYSA-N 0 3 295.343 -1.028 20 0 CAADHN C[C@@H](O)[C@@H](CO)NC(=O)c1cnn(CCN(C)C)c1 ZINC000822537850 582184284 /nfs/dbraw/zinc/18/42/84/582184284.db2.gz MZVCNHGFJIDFPK-MWLCHTKSSA-N 0 3 270.333 -1.084 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@]2(C)CCC(=O)N2)CC1=O ZINC000824175345 582186492 /nfs/dbraw/zinc/18/64/92/582186492.db2.gz VLYFUFNOFQHHJI-AWEZNQCLSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@@]1(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCC(=O)N1 ZINC000824301070 582186762 /nfs/dbraw/zinc/18/67/62/582186762.db2.gz LULMRKPJHYAZCN-CWSCBRNRSA-N 0 3 267.329 -1.068 20 0 CAADHN O=C([C@@H]1CSCC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000824298716 582186796 /nfs/dbraw/zinc/18/67/96/582186796.db2.gz ZRTHGQXERXSOEL-AEJSXWLSSA-N 0 3 285.369 -1.505 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@H]1CC(=O)N1 ZINC000824733861 582187161 /nfs/dbraw/zinc/18/71/61/582187161.db2.gz RYXVIGPTNNUAJX-LPEHRKFASA-N 0 3 253.302 -1.146 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@H]1CC(=O)N1 ZINC000824733860 582187244 /nfs/dbraw/zinc/18/72/44/582187244.db2.gz RYXVIGPTNNUAJX-KXUCPTDWSA-N 0 3 253.302 -1.146 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H]2CN3CCC[C@H]3CO2)NC1=O ZINC000824733889 582187269 /nfs/dbraw/zinc/18/72/69/582187269.db2.gz SPMNBPVGUZRIHU-GARJFASQSA-N 0 3 282.344 -1.011 20 0 CAADHN C[C@@H](CCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)N(C)C ZINC000824948475 582187745 /nfs/dbraw/zinc/18/77/45/582187745.db2.gz GAMCLSMKMNBMMA-IUCAKERBSA-N 0 3 291.373 -1.644 20 0 CAADHN CS(=O)(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000824919032 582187783 /nfs/dbraw/zinc/18/77/83/582187783.db2.gz MJTAGJVCPIFNBF-UHFFFAOYSA-N 0 3 261.347 -1.158 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CSCC(=O)N1 ZINC000825526761 582189013 /nfs/dbraw/zinc/18/90/13/582189013.db2.gz IYBMPBBJWQXPAF-VIFPVBQESA-N 0 3 275.374 -1.400 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC(=O)N(C)C ZINC000825566783 582189046 /nfs/dbraw/zinc/18/90/46/582189046.db2.gz OPZBPJKKOPPIGN-SNVBAGLBSA-N 0 3 299.375 -1.164 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N(C)CCN(C)CCO)C1 ZINC000825526474 582189053 /nfs/dbraw/zinc/18/90/53/582189053.db2.gz HCLWHTCYZWMGGT-LBPRGKRZSA-N 0 3 287.360 -1.384 20 0 CAADHN CN(CC(=O)N1CCNCC1)C(=O)[C@]1(F)CCNC1 ZINC000825628092 582189235 /nfs/dbraw/zinc/18/92/35/582189235.db2.gz VHFOGFXGUCXMMG-LBPRGKRZSA-N 0 3 272.324 -1.422 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000825939168 582189520 /nfs/dbraw/zinc/18/95/20/582189520.db2.gz URZYMPAIOYTGRH-ZDUSSCGKSA-N 0 3 286.351 -1.080 20 0 CAADHN CCNC(=O)CN1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000826697420 582191613 /nfs/dbraw/zinc/19/16/13/582191613.db2.gz AMGDBLNCQXDXKR-CYBMUJFWSA-N 0 3 286.351 -1.032 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCNC1=O)N1CCCCC1 ZINC000827320381 582192259 /nfs/dbraw/zinc/19/22/59/582192259.db2.gz KDLKOUQSCXDVGD-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CS(=O)(=O)N1CCN(CCNC(=O)[C@@H]2C[C@@H]2N)CC1 ZINC000827590148 582193122 /nfs/dbraw/zinc/19/31/22/582193122.db2.gz OETGAHJAMNLJGY-ZJUUUORDSA-N 0 3 290.389 -1.973 20 0 CAADHN O=C(CN1CCNCC1=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000827935836 582193628 /nfs/dbraw/zinc/19/36/28/582193628.db2.gz BHGDHCKHTYBBQH-NEPJUHHUSA-N 0 3 296.371 -1.602 20 0 CAADHN COC(=O)C[C@H](N)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000827936246 582193699 /nfs/dbraw/zinc/19/36/99/582193699.db2.gz HOEYZQFWZHQJKS-MXWKQRLJSA-N 0 3 285.344 -1.144 20 0 CAADHN COC(=O)C[C@H](N)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000827936247 582193723 /nfs/dbraw/zinc/19/37/23/582193723.db2.gz HOEYZQFWZHQJKS-VWYCJHECSA-N 0 3 285.344 -1.144 20 0 CAADHN CC(C)(N)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000827984277 582193900 /nfs/dbraw/zinc/19/39/00/582193900.db2.gz GMANDHYZOKOFIP-UHFFFAOYSA-N 0 3 279.362 -1.498 20 0 CAADHN C[C@@H](N)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000827985260 582193929 /nfs/dbraw/zinc/19/39/29/582193929.db2.gz NDVRLVYXDVGHOO-MRVPVSSYSA-N 0 3 265.335 -1.888 20 0 CAADHN CCNS(=O)(=O)CCNC(=O)CNC[C@@H]1CCCO1 ZINC000829087518 582196455 /nfs/dbraw/zinc/19/64/55/582196455.db2.gz ZMRZSMLGAAENPL-JTQLQIEISA-N 0 3 293.389 -1.190 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCN(C)CCOCCO ZINC000829445010 582196824 /nfs/dbraw/zinc/19/68/24/582196824.db2.gz QHQUXUTWYXHUMR-RYUDHWBXSA-N 0 3 290.360 -1.153 20 0 CAADHN CCn1cc(C(=O)NCCN(C)CCOCCO)nn1 ZINC000829444830 582196902 /nfs/dbraw/zinc/19/69/02/582196902.db2.gz NEEXNKXNPSGJRJ-UHFFFAOYSA-N 0 3 285.348 -1.032 20 0 CAADHN CCOC(=O)C(=O)N1CCN(C(=O)[C@@H](N)CC)CC1 ZINC000829839111 582197502 /nfs/dbraw/zinc/19/75/02/582197502.db2.gz SIIBRXCAWLONHO-VIFPVBQESA-N 0 3 271.317 -1.042 20 0 CAADHN CCN1CCN(CCC(=O)N2CC(O)(C(=O)OC)C2)CC1 ZINC000829949730 582197755 /nfs/dbraw/zinc/19/77/55/582197755.db2.gz AMYVQLHKOIFDLU-UHFFFAOYSA-N 0 3 299.371 -1.240 20 0 CAADHN COC(=O)C1(O)CN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000829960907 582197889 /nfs/dbraw/zinc/19/78/89/582197889.db2.gz LYGZVBPEFWJUGT-SNVBAGLBSA-N 0 3 283.328 -1.877 20 0 CAADHN O=C(N1CCN2C(=O)NC[C@H]2C1)[C@@]1(F)CCNC1 ZINC000831077139 582200309 /nfs/dbraw/zinc/20/03/09/582200309.db2.gz GMIBQHYZNBJJBT-GZMMTYOYSA-N 0 3 256.281 -1.076 20 0 CAADHN O=C(CNC(=O)[C@@]1(F)CCNC1)N1CCOCC1 ZINC000831522341 582202262 /nfs/dbraw/zinc/20/22/62/582202262.db2.gz JVUIACSWSROAHI-LLVKDONJSA-N 0 3 259.281 -1.337 20 0 CAADHN O=C(CNC(=O)[C@]1(F)CCNC1)N1CCOCC1 ZINC000831522342 582202270 /nfs/dbraw/zinc/20/22/70/582202270.db2.gz JVUIACSWSROAHI-NSHDSACASA-N 0 3 259.281 -1.337 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)CN1 ZINC000831540100 582202435 /nfs/dbraw/zinc/20/24/35/582202435.db2.gz HZYOPHPLTIDGBW-RKDXNWHRSA-N 0 3 280.328 -1.094 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)CN1 ZINC000831540097 582202527 /nfs/dbraw/zinc/20/25/27/582202527.db2.gz HZYOPHPLTIDGBW-BDAKNGLRSA-N 0 3 280.328 -1.094 20 0 CAADHN CCO[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)CN(C)C ZINC000831708338 582203157 /nfs/dbraw/zinc/20/31/57/582203157.db2.gz RBIIBIBRAKFXHH-ZJUUUORDSA-N 0 3 293.389 -1.239 20 0 CAADHN CCO[C@@H](CNC(=O)[C@H]1OCCN(C)C1=O)CN(C)C ZINC000831702475 582203190 /nfs/dbraw/zinc/20/31/90/582203190.db2.gz MFEBSMBTWMRICF-WDEREUQCSA-N 0 3 287.360 -1.074 20 0 CAADHN CCO[C@@H](CNC(=O)Cn1nc(C)n(C)c1=O)CN(C)C ZINC000831707541 582203209 /nfs/dbraw/zinc/20/32/09/582203209.db2.gz HHOYSBSZJWNDLU-NSHDSACASA-N 0 3 299.375 -1.027 20 0 CAADHN CCO[C@@H](CNC(=O)Cn1ncn(C)c1=O)CN(C)C ZINC000831730936 582203382 /nfs/dbraw/zinc/20/33/82/582203382.db2.gz JHXAVXPQJSWZHU-JTQLQIEISA-N 0 3 285.348 -1.335 20 0 CAADHN CCO[C@H](CNC(=O)Cn1cnc(N)n1)CN(C)C ZINC000831714705 582203385 /nfs/dbraw/zinc/20/33/85/582203385.db2.gz XRJRHTNDUVNUNS-SECBINFHSA-N 0 3 270.337 -1.057 20 0 CAADHN O=C(NCCN1CCS(=O)(=O)CC1)[C@@]1(F)CCNC1 ZINC000831855210 582203667 /nfs/dbraw/zinc/20/36/67/582203667.db2.gz NMHJYSCHDNWPRW-LLVKDONJSA-N 0 3 293.364 -1.465 20 0 CAADHN O=C(N1CCS(=O)(=O)CC1)[C@@]1(F)CCNC1 ZINC000831905695 582203673 /nfs/dbraw/zinc/20/36/73/582203673.db2.gz MXQXYJNGLZUATK-SECBINFHSA-N 0 3 250.295 -1.055 20 0 CAADHN NS(=O)(=O)CCCNC(=O)[C@]1(F)CCNC1 ZINC000831870796 582203707 /nfs/dbraw/zinc/20/37/07/582203707.db2.gz FGIALHJJIRXXQI-QMMMGPOBSA-N 0 3 253.299 -1.517 20 0 CAADHN COC(=O)c1cn(CCNC(=O)[C@@]2(F)CCNC2)nn1 ZINC000832182879 582204210 /nfs/dbraw/zinc/20/42/10/582204210.db2.gz PCCHGFPVPWMMPK-LLVKDONJSA-N 0 3 285.279 -1.118 20 0 CAADHN O=C(NCCNC(=O)[C@]1(F)CCNC1)c1ccn[nH]1 ZINC000832145609 582204238 /nfs/dbraw/zinc/20/42/38/582204238.db2.gz QOFOEIYEDLGOSE-NSHDSACASA-N 0 3 269.280 -1.043 20 0 CAADHN O=C(NCCNC(=O)[C@@]1(F)CCNC1)c1ccn[nH]1 ZINC000832145608 582204246 /nfs/dbraw/zinc/20/42/46/582204246.db2.gz QOFOEIYEDLGOSE-LLVKDONJSA-N 0 3 269.280 -1.043 20 0 CAADHN O=C(CNC(=O)c1[nH]nc2c1CNCC2)N1CCNCC1 ZINC000832410678 582204550 /nfs/dbraw/zinc/20/45/50/582204550.db2.gz ZJWIVERJMWIZRI-UHFFFAOYSA-N 0 3 292.343 -1.783 20 0 CAADHN COC[C@@H](O)CNS(=O)(=O)CCCN(C)C ZINC000867239626 582212087 /nfs/dbraw/zinc/21/20/87/582212087.db2.gz JDGKJSVRPVDVKY-VIFPVBQESA-N 0 3 254.352 -1.135 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@H]2CCC=CO2)[C@@H](CN)C1 ZINC000842025102 582212319 /nfs/dbraw/zinc/21/23/19/582212319.db2.gz SNEQZFPXGMYRCG-NWDGAFQWSA-N 0 3 296.371 -1.103 20 0 CAADHN O=C(NC[C@H]1COC2(CCCC2)O1)C(=O)NC1CNC1 ZINC000842144630 582212523 /nfs/dbraw/zinc/21/25/23/582212523.db2.gz NSBRPVBUSPACPR-JTQLQIEISA-N 0 3 283.328 -1.124 20 0 CAADHN COC(=O)N1CCC[C@@H](NC(=O)C(=O)NC2CNC2)C1 ZINC000842158962 582212610 /nfs/dbraw/zinc/21/26/10/582212610.db2.gz BECIGVMFSMKXOT-MRVPVSSYSA-N 0 3 284.316 -1.579 20 0 CAADHN O=C(NCCOc1cccnc1)C(=O)NC1CNC1 ZINC000842168069 582212612 /nfs/dbraw/zinc/21/26/12/582212612.db2.gz JTTBHVPLSQAFAS-UHFFFAOYSA-N 0 3 264.285 -1.335 20 0 CAADHN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NC1CNC1 ZINC000842236524 582212675 /nfs/dbraw/zinc/21/26/75/582212675.db2.gz TVHDAZMMHRAQEH-SSDOTTSWSA-N 0 3 254.290 -2.237 20 0 CAADHN C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NC1CNC1 ZINC000842236537 582212751 /nfs/dbraw/zinc/21/27/51/582212751.db2.gz TVHDAZMMHRAQEH-ZETCQYMHSA-N 0 3 254.290 -2.237 20 0 CAADHN C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)N[C@H](CN)C1CC1 ZINC000842255552 582212785 /nfs/dbraw/zinc/21/27/85/582212785.db2.gz GAXRPAFOBHPHLG-PSASIEDQSA-N 0 3 282.344 -1.471 20 0 CAADHN O=S(=O)(NC1CNC1)N1CCC2(CC1)OCCO2 ZINC000842712096 582213119 /nfs/dbraw/zinc/21/31/19/582213119.db2.gz MJUGMHVCESZWED-UHFFFAOYSA-N 0 3 277.346 -1.369 20 0 CAADHN CS(=O)(=O)CCS(=O)(=O)NC[C@@H]1C[C@H](F)CN1 ZINC000842875884 582213416 /nfs/dbraw/zinc/21/34/16/582213416.db2.gz MNBRNRQOYNOZNM-YUMQZZPRSA-N 0 3 288.366 -1.350 20 0 CAADHN C[C@H](CN)N(C)C(=O)C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000843057662 582213433 /nfs/dbraw/zinc/21/34/33/582213433.db2.gz GUIQKBIQRVLPJA-BBBLOLIVSA-N 0 3 298.343 -1.251 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000843264152 582213807 /nfs/dbraw/zinc/21/38/07/582213807.db2.gz MZOKYVSIKJVFDZ-VHSXEESVSA-N 0 3 292.343 -1.047 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H](CNC(=O)[C@]2(F)CCNC2)O1 ZINC000843449007 582214268 /nfs/dbraw/zinc/21/42/68/582214268.db2.gz GPLGCAWJKVIFPR-LAEOZQHASA-N 0 3 259.281 -1.163 20 0 CAADHN CCOC(=O)CN(CC(N)=O)C(=O)[C@@]1(F)CCNC1 ZINC000843488920 582214773 /nfs/dbraw/zinc/21/47/73/582214773.db2.gz WOLYTONMOCUWHG-LLVKDONJSA-N 0 3 275.280 -1.435 20 0 CAADHN COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@]1(F)CCNC1 ZINC000843482880 582214783 /nfs/dbraw/zinc/21/47/83/582214783.db2.gz AGSVBUBUGYMQEF-UFBFGSQYSA-N 0 3 287.291 -1.422 20 0 CAADHN CCOC(=O)C(=O)N1CCN(C(=O)C2(N)CC2)CC1 ZINC000843489769 582214791 /nfs/dbraw/zinc/21/47/91/582214791.db2.gz LPNHRSLRVGYJJN-UHFFFAOYSA-N 0 3 269.301 -1.288 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1COC(=O)N1 ZINC000844040790 582215674 /nfs/dbraw/zinc/21/56/74/582215674.db2.gz WHUKCDAXPZHXDB-DTWKUNHWSA-N 0 3 284.316 -1.327 20 0 CAADHN CCN(OC)C(=O)CNC(=O)C(C)S(C)(=O)=O ZINC000844069360 582215958 /nfs/dbraw/zinc/21/59/58/582215958.db2.gz BCHWEVQOAWAIMB-ZETCQYMHSA-N 0 3 266.319 -1.054 20 0 CAADHN CON(C)C(=O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000844375777 582216607 /nfs/dbraw/zinc/21/66/07/582216607.db2.gz LJHQJCMAAIVGOD-UHFFFAOYSA-N 0 3 272.349 -1.288 20 0 CAADHN CN(C)CCN1CCN(CCS(N)(=O)=O)CC1=O ZINC000844375517 582216639 /nfs/dbraw/zinc/21/66/39/582216639.db2.gz HRSZBMNJGWLKON-UHFFFAOYSA-N 0 3 278.378 -2.019 20 0 CAADHN CN(C)CCN1CCN(C(=S)NCC(N)=O)CC1=O ZINC000844568963 582216824 /nfs/dbraw/zinc/21/68/24/582216824.db2.gz FGGXMYUUIRUHSI-UHFFFAOYSA-N 0 3 287.389 -1.948 20 0 CAADHN CN(C)CCN1CCN(Cn2cnnc2)CC1=O ZINC000844714437 582217051 /nfs/dbraw/zinc/21/70/51/582217051.db2.gz MSSBJDLWGZCFRH-UHFFFAOYSA-N 0 3 252.322 -1.059 20 0 CAADHN COC(=O)NCC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000844762073 582217102 /nfs/dbraw/zinc/21/71/02/582217102.db2.gz XZZLSVUIBXWFDL-UHFFFAOYSA-N 0 3 286.332 -1.425 20 0 CAADHN CN(C)CCNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 ZINC000845072830 582217452 /nfs/dbraw/zinc/21/74/52/582217452.db2.gz MXMHLATVEMLXOU-JTQLQIEISA-N 0 3 298.318 -1.011 20 0 CAADHN NCCN(CCO)C(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000846351067 582221395 /nfs/dbraw/zinc/22/13/95/582221395.db2.gz WPNYXEPHKOBISG-BBBLOLIVSA-N 0 3 271.317 -1.798 20 0 CAADHN CN(C)CCN1CCN(C(=O)C2(O)CCOCC2)CC1=O ZINC000846356788 582221489 /nfs/dbraw/zinc/22/14/89/582221489.db2.gz KLKYUWLSQBTCDI-UHFFFAOYSA-N 0 3 299.371 -1.240 20 0 CAADHN CCON(C)C(=O)CNC(=O)C(C)S(C)(=O)=O ZINC000846502035 582221984 /nfs/dbraw/zinc/22/19/84/582221984.db2.gz QFYMHRALRPMXFE-SSDOTTSWSA-N 0 3 266.319 -1.054 20 0 CAADHN O=C(CCN1CCOCC1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000846515679 582222356 /nfs/dbraw/zinc/22/23/56/582222356.db2.gz OXADHOKXBPJTLG-CYBMUJFWSA-N 0 3 283.372 -1.014 20 0 CAADHN C[C@H]1CCCN1CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC000846640614 582222674 /nfs/dbraw/zinc/22/26/74/582222674.db2.gz XYBCEILPULHXKU-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN1CCC[C@@H]1C ZINC000846638954 582222692 /nfs/dbraw/zinc/22/26/92/582222692.db2.gz OAHYOHPPNAXARE-VIFPVBQESA-N 0 3 278.378 -1.359 20 0 CAADHN CN(C)CCONC(=O)c1nc(N)nc(N(C)C)n1 ZINC000846656024 582222803 /nfs/dbraw/zinc/22/28/03/582222803.db2.gz UKRDIBBSASVCKB-UHFFFAOYSA-N 0 3 269.309 -1.257 20 0 CAADHN CS(=O)(=O)N1CC[C@H](NC(=O)[C@]2(F)CCNC2)C1 ZINC000846689728 582222994 /nfs/dbraw/zinc/22/29/94/582222994.db2.gz CWHFPEDSZLTOHK-WPRPVWTQSA-N 0 3 279.337 -1.162 20 0 CAADHN O=C1C[C@@H](NCCn2cccn2)C(=O)N1CCCO ZINC000846704534 582223163 /nfs/dbraw/zinc/22/31/63/582223163.db2.gz UWDSIOLFYMSXIA-SNVBAGLBSA-N 0 3 266.301 -1.017 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCN3C[C@H](O)C[C@H]3C2)CCO1 ZINC000847039389 582223682 /nfs/dbraw/zinc/22/36/82/582223682.db2.gz AWZNBDKBTRAXNB-RWMBFGLXSA-N 0 3 283.372 -1.016 20 0 CAADHN CON(C)C(=O)CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847385988 582224309 /nfs/dbraw/zinc/22/43/09/582224309.db2.gz OSBOXZZYPNGETC-VHSXEESVSA-N 0 3 286.332 -1.533 20 0 CAADHN C=CC(=O)NCCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848305831 582226290 /nfs/dbraw/zinc/22/62/90/582226290.db2.gz IAQKJNMEKXOSHU-WDEREUQCSA-N 0 3 267.329 -1.044 20 0 CAADHN Cn1cc(C(=O)N[C@@H](CN)C(F)(F)F)c(=O)n(C)c1=O ZINC000848438630 582226525 /nfs/dbraw/zinc/22/65/25/582226525.db2.gz KPHIQIVRISSQLP-LURJTMIESA-N 0 3 294.233 -1.297 20 0 CAADHN NC[C@H](NC(=O)NC[C@H]1CC(C(N)=O)=NO1)C(F)(F)F ZINC000848599308 582226647 /nfs/dbraw/zinc/22/66/47/582226647.db2.gz YGQKSTMVBNAQLW-XINAWCOVSA-N 0 3 297.237 -1.195 20 0 CAADHN Cc1nn(Cc2nc(N3CCNCC3)no2)c(=O)n1C ZINC000848630092 582226809 /nfs/dbraw/zinc/22/68/09/582226809.db2.gz IJKPGXJTCKBKOZ-UHFFFAOYSA-N 0 3 279.304 -1.269 20 0 CAADHN COCCN(C)C[C@H](O)CN1C(=O)N[C@@H](C)C1=O ZINC000848675121 582226862 /nfs/dbraw/zinc/22/68/62/582226862.db2.gz REMGIUGUCGOGDK-IUCAKERBSA-N 0 3 259.306 -1.134 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CCOCCO ZINC000849896441 582228058 /nfs/dbraw/zinc/22/80/58/582228058.db2.gz XCTDXYUGRZCRFY-SSDOTTSWSA-N 0 3 252.292 -1.597 20 0 CAADHN CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)[C@@H]3C[C@@H]3N)C[C@H]21 ZINC000851645354 582228802 /nfs/dbraw/zinc/22/88/02/582228802.db2.gz FTYFXMSFFXBTJR-KBDSZGMXSA-N 0 3 274.342 -1.396 20 0 CAADHN CCNCC(=O)N1C[C@@H]2[C@@H](OC)CS(=O)(=O)[C@@H]2C1 ZINC000851645329 582228831 /nfs/dbraw/zinc/22/88/31/582228831.db2.gz FNLAKYIOJIKKHC-KXUCPTDWSA-N 0 3 276.358 -1.134 20 0 CAADHN NCCN(CCO)C(=O)C(=O)NCCO[C@@H]1CC1(F)F ZINC000851690121 582228953 /nfs/dbraw/zinc/22/89/53/582228953.db2.gz WHXJFACHZZAOEI-MRVPVSSYSA-N 0 3 295.286 -1.694 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H](C)CN ZINC000851663334 582228965 /nfs/dbraw/zinc/22/89/65/582228965.db2.gz BFGGSLUBOVKOJA-BIIVOSGPSA-N 0 3 265.335 -1.555 20 0 CAADHN COC(=O)N(C)CCNC(=O)N1CCN(C)C[C@H]1CN ZINC000851676297 582228972 /nfs/dbraw/zinc/22/89/72/582228972.db2.gz YLBRXBLSJRSRHA-SNVBAGLBSA-N 0 3 287.364 -1.031 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H](C)CN ZINC000851663336 582228990 /nfs/dbraw/zinc/22/89/90/582228990.db2.gz BFGGSLUBOVKOJA-RNJXMRFFSA-N 0 3 265.335 -1.555 20 0 CAADHN NC(=O)C1=NO[C@H](CNC(=O)N2CC[C@@H](F)[C@H](N)C2)C1 ZINC000851660239 582229020 /nfs/dbraw/zinc/22/90/20/582229020.db2.gz IARXGOBHTFQAQF-XLPZGREQSA-N 0 3 287.295 -1.303 20 0 CAADHN COC(=O)N(C)CCNC(=O)C(=O)N(C)[C@@H](C)CN ZINC000851690493 582229348 /nfs/dbraw/zinc/22/93/48/582229348.db2.gz DHIHTZURYSJCBT-QMMMGPOBSA-N 0 3 274.321 -1.394 20 0 CAADHN COC(=O)N(C)CCNC(=O)C(=O)N[C@@H](CN)C1CC1 ZINC000851689925 582229382 /nfs/dbraw/zinc/22/93/82/582229382.db2.gz VUZLIZJVKFJLCP-VIFPVBQESA-N 0 3 286.332 -1.346 20 0 CAADHN C[C@@H]1CCC[C@H](CNC(=O)C(=O)N(CCN)CCO)O1 ZINC000851690007 582229391 /nfs/dbraw/zinc/22/93/91/582229391.db2.gz UNQBYXINNLCIDJ-GHMZBOCLSA-N 0 3 287.360 -1.160 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000851689953 582229449 /nfs/dbraw/zinc/22/94/49/582229449.db2.gz XBTLQLZHUATISA-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN NC(=O)[C@@](O)(CN1C[C@H](O)C[C@H](O)C1)c1ccccc1 ZINC000851795858 582229765 /nfs/dbraw/zinc/22/97/65/582229765.db2.gz MZHXDLRICRLCPF-MBNYWOFBSA-N 0 3 280.324 -1.213 20 0 CAADHN CCS(=O)(=O)N1CCN(C[C@H]2CNCCO2)CC1 ZINC000852744697 582230568 /nfs/dbraw/zinc/23/05/68/582230568.db2.gz HECSCTDSBXOIOA-LLVKDONJSA-N 0 3 277.390 -1.058 20 0 CAADHN NC[C@@H]1CC(C(=O)NCCNC(=O)C2CC2)=NO1 ZINC000852803441 582230780 /nfs/dbraw/zinc/23/07/80/582230780.db2.gz IJJUTXRZEJUANJ-QMMMGPOBSA-N 0 3 254.290 -1.268 20 0 CAADHN CN(CC(=O)NC1CC1)C(=O)C1=NO[C@H](CN)C1 ZINC000852805217 582230842 /nfs/dbraw/zinc/23/08/42/582230842.db2.gz SLDOIHCYIBAMGT-QMMMGPOBSA-N 0 3 254.290 -1.173 20 0 CAADHN CN(CCCNC(=O)C1=NO[C@H](CN)C1)S(C)(=O)=O ZINC000852812839 582230851 /nfs/dbraw/zinc/23/08/51/582230851.db2.gz CNESRWJZOGCEQP-QMMMGPOBSA-N 0 3 292.361 -1.512 20 0 CAADHN CS(=O)(=O)NCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852812817 582230865 /nfs/dbraw/zinc/23/08/65/582230865.db2.gz GPPHACSWPBXABG-SSDOTTSWSA-N 0 3 278.334 -1.855 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852818117 582230884 /nfs/dbraw/zinc/23/08/84/582230884.db2.gz QHTFDUYAMFDJFX-IONNQARKSA-N 0 3 254.290 -1.173 20 0 CAADHN NC[C@@H]1CC(C(=O)NCC(=O)NCC(F)(F)F)=NO1 ZINC000852817910 582230890 /nfs/dbraw/zinc/23/08/90/582230890.db2.gz LMVNJDKEGNNMGA-YFKPBYRVSA-N 0 3 282.222 -1.115 20 0 CAADHN CS(=O)(=O)N1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852807230 582230898 /nfs/dbraw/zinc/23/08/98/582230898.db2.gz QDOQSRBKVNGXHJ-QMMMGPOBSA-N 0 3 290.345 -1.806 20 0 CAADHN NC[C@H]1CC(C(=O)NCCC(=O)N2CCOCC2)=NO1 ZINC000852807297 582230902 /nfs/dbraw/zinc/23/09/02/582230902.db2.gz SFMSUCJKPRGRBA-SECBINFHSA-N 0 3 284.316 -1.545 20 0 CAADHN NC[C@@H]1CC(C(=O)N[C@H]2CCCCNC2=O)=NO1 ZINC000852810114 582230906 /nfs/dbraw/zinc/23/09/06/582230906.db2.gz RABXRQWGQOMRMP-YUMQZZPRSA-N 0 3 254.290 -1.125 20 0 CAADHN NC[C@H]1CC(C(=O)NCCCN2C(=O)CCC2=O)=NO1 ZINC000852834727 582230927 /nfs/dbraw/zinc/23/09/27/582230927.db2.gz ABTOTTRXKUOPRY-MRVPVSSYSA-N 0 3 282.300 -1.255 20 0 CAADHN CN1CCC[C@@H](NC(=O)C2=NO[C@H](CN)C2)C1=O ZINC000852841539 582230989 /nfs/dbraw/zinc/23/09/89/582230989.db2.gz LZYYQELVHKQWKL-JGVFFNPUSA-N 0 3 254.290 -1.173 20 0 CAADHN CC[C@H]1C(=O)NCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852834801 582231005 /nfs/dbraw/zinc/23/10/05/582231005.db2.gz YEGSJBRKPKFHBV-APPZFPTMSA-N 0 3 254.290 -1.173 20 0 CAADHN CC[C@H]1C(=O)NCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852834802 582231041 /nfs/dbraw/zinc/23/10/41/582231041.db2.gz YEGSJBRKPKFHBV-CBAPKCEASA-N 0 3 254.290 -1.173 20 0 CAADHN CCS(=O)(=O)NCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852827016 582231056 /nfs/dbraw/zinc/23/10/56/582231056.db2.gz YRWWQAUHSNONTA-MRVPVSSYSA-N 0 3 292.361 -1.464 20 0 CAADHN CC(C)(CNC(=O)C1=NO[C@@H](CN)C1)NS(C)(=O)=O ZINC000852839031 582231060 /nfs/dbraw/zinc/23/10/60/582231060.db2.gz UZAIFGBOAHQVQH-SSDOTTSWSA-N 0 3 292.361 -1.466 20 0 CAADHN NC[C@H]1CC(C(=O)N2CCN(C3CC3)C(=O)C2)=NO1 ZINC000852842486 582231064 /nfs/dbraw/zinc/23/10/64/582231064.db2.gz WEMZEJDMBIPWDX-SECBINFHSA-N 0 3 266.301 -1.077 20 0 CAADHN NC[C@H]1CC(C(=O)NCCN2CCOCC2)=NO1 ZINC000852855539 582231180 /nfs/dbraw/zinc/23/11/80/582231180.db2.gz FMTWEXNAONXXCC-SECBINFHSA-N 0 3 256.306 -1.462 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)[C@@]1(F)CCNC1 ZINC000852848641 582231188 /nfs/dbraw/zinc/23/11/88/582231188.db2.gz OOQWDJHAZHVLSJ-QXFUBDJGSA-N 0 3 280.321 -1.384 20 0 CAADHN NC[C@H]1CC(C(=O)NCc2nnnn2C2CC2)=NO1 ZINC000852848662 582231197 /nfs/dbraw/zinc/23/11/97/582231197.db2.gz OWIDWJSTXIDJHS-SSDOTTSWSA-N 0 3 265.277 -1.272 20 0 CAADHN COC[C@@](C)(NC(=O)C1=NO[C@H](CN)C1)C(=O)OC ZINC000852851735 582231213 /nfs/dbraw/zinc/23/12/13/582231213.db2.gz VUIRYURCTZDSIX-WRWORJQWSA-N 0 3 273.289 -1.216 20 0 CAADHN CC[C@@H](NC(=O)C1=NO[C@@H](CN)C1)C(=O)N1CCOCC1 ZINC000852849929 582231217 /nfs/dbraw/zinc/23/12/17/582231217.db2.gz LEORWGCZXZBXSK-NXEZZACHSA-N 0 3 298.343 -1.156 20 0 CAADHN CC(C)N1C(=O)C[C@@H](NC(=O)C2=NO[C@H](CN)C2)C1=O ZINC000852852473 582231229 /nfs/dbraw/zinc/23/12/29/582231229.db2.gz YVCRRJRSGLIZGG-IONNQARKSA-N 0 3 282.300 -1.258 20 0 CAADHN CNC(=O)[C@@H](C)CN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852852082 582231231 /nfs/dbraw/zinc/23/12/31/582231231.db2.gz NPBUMGXMEKRZKQ-YUMQZZPRSA-N 0 3 256.306 -1.070 20 0 CAADHN CNC(=O)[C@H](C)CN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852852079 582231245 /nfs/dbraw/zinc/23/12/45/582231245.db2.gz NPBUMGXMEKRZKQ-HTQZYQBOSA-N 0 3 256.306 -1.070 20 0 CAADHN CN(C)C(=O)CN1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852855655 582231276 /nfs/dbraw/zinc/23/12/76/582231276.db2.gz MAMBYLBYLLYLOP-SNVBAGLBSA-N 0 3 297.359 -1.678 20 0 CAADHN COCCN1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852857008 582231418 /nfs/dbraw/zinc/23/14/18/582231418.db2.gz IRMUNKKPBVTXRW-JTQLQIEISA-N 0 3 270.333 -1.119 20 0 CAADHN NC[C@H]1CC(C(=O)NCc2ccc(C(N)=O)nc2)=NO1 ZINC000852869844 582231431 /nfs/dbraw/zinc/23/14/31/582231431.db2.gz MXTORBGFRXEVRT-MRVPVSSYSA-N 0 3 277.284 -1.100 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852858597 582231446 /nfs/dbraw/zinc/23/14/46/582231446.db2.gz FNOIUGJERTWVRZ-SNVBAGLBSA-N 0 3 297.359 -1.630 20 0 CAADHN C[C@H]1CN(CCNC(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852863728 582231454 /nfs/dbraw/zinc/23/14/54/582231454.db2.gz RLBZNEQHJFPSSL-VHSXEESVSA-N 0 3 270.333 -1.073 20 0 CAADHN C[C@@H](CN1CCOCC1)NC(=O)C1=NO[C@H](CN)C1 ZINC000852858506 582231516 /nfs/dbraw/zinc/23/15/16/582231516.db2.gz BOFKGVQAZJZMLO-UWVGGRQHSA-N 0 3 270.333 -1.073 20 0 CAADHN C[C@@H]1CN(CCNC(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852863726 582231524 /nfs/dbraw/zinc/23/15/24/582231524.db2.gz RLBZNEQHJFPSSL-NXEZZACHSA-N 0 3 270.333 -1.073 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C1(O)CNC1 ZINC000852863651 582231539 /nfs/dbraw/zinc/23/15/39/582231539.db2.gz HVKCWANUUIIPAC-UWVGGRQHSA-N 0 3 255.318 -1.700 20 0 CAADHN CC(C)(C(N)=O)N1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852869806 582231558 /nfs/dbraw/zinc/23/15/58/582231558.db2.gz MDHMNQHJZFIALV-SECBINFHSA-N 0 3 297.359 -1.502 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C2=NO[C@H](CN)C2)C1 ZINC000852867530 582231566 /nfs/dbraw/zinc/23/15/66/582231566.db2.gz XCBNDOJSCVXVPT-ZJUUUORDSA-N 0 3 270.333 -1.073 20 0 CAADHN CCN1CCN(CCNC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852873303 582231593 /nfs/dbraw/zinc/23/15/93/582231593.db2.gz REXWTDYRRZZAMB-NSHDSACASA-N 0 3 283.376 -1.156 20 0 CAADHN C[C@@H](CN1CCOCC1)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852858508 582231614 /nfs/dbraw/zinc/23/16/14/582231614.db2.gz BOFKGVQAZJZMLO-VHSXEESVSA-N 0 3 270.333 -1.073 20 0 CAADHN CN1CCN(C(=O)CCNC(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852858533 582231625 /nfs/dbraw/zinc/23/16/25/582231625.db2.gz FNOIUGJERTWVRZ-JTQLQIEISA-N 0 3 297.359 -1.630 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852879858 582231718 /nfs/dbraw/zinc/23/17/18/582231718.db2.gz HJXBSBDVRXJYQJ-WCBMZHEXSA-N 0 3 284.316 -1.547 20 0 CAADHN NC[C@@H]1CC(C(=O)N2CCC[C@H](C(N)=O)C2)=NO1 ZINC000852882685 582231771 /nfs/dbraw/zinc/23/17/71/582231771.db2.gz OBPLFCXZFXMDAE-YUMQZZPRSA-N 0 3 254.290 -1.186 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852882252 582231803 /nfs/dbraw/zinc/23/18/03/582231803.db2.gz BBLYJEJIAFBZSY-IONNQARKSA-N 0 3 298.299 -2.020 20 0 CAADHN Cn1ccnc1[C@H]1CNCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852877979 582231822 /nfs/dbraw/zinc/23/18/22/582231822.db2.gz KSTGTBXMNWNSMW-GXSJLCMTSA-N 0 3 292.343 -1.003 20 0 CAADHN COC(=O)C[C@@H]1C(=O)NCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852882253 582231848 /nfs/dbraw/zinc/23/18/48/582231848.db2.gz BBLYJEJIAFBZSY-VXNVDRBHSA-N 0 3 298.299 -2.020 20 0 CAADHN CCOC(=O)[C@H](N)C(=O)N[C@H]1CNCCC1(F)F ZINC000852880463 582231858 /nfs/dbraw/zinc/23/18/58/582231858.db2.gz AFSMKZODKUJOTM-NKWVEPMBSA-N 0 3 265.260 -1.010 20 0 CAADHN CNC(=O)CN1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852882728 582231891 /nfs/dbraw/zinc/23/18/91/582231891.db2.gz ADRDMWOCSHJWEP-SECBINFHSA-N 0 3 283.332 -2.020 20 0 CAADHN NC[C@@H]1CC(C(=O)NCCCn2ccnn2)=NO1 ZINC000852884565 582231923 /nfs/dbraw/zinc/23/19/23/582231923.db2.gz LJNBBCQEQKOGLF-QMMMGPOBSA-N 0 3 252.278 -1.112 20 0 CAADHN COC[C@@H](NC(=O)C1=NO[C@@H](CN)C1)C(=O)OC ZINC000852886616 582231946 /nfs/dbraw/zinc/23/19/46/582231946.db2.gz QPLMLIGEIPLMOQ-HTRCEHHLSA-N 0 3 259.262 -1.606 20 0 CAADHN CN(CCN1CCOCC1)C(=O)C1=NO[C@H](CN)C1 ZINC000852882891 582231988 /nfs/dbraw/zinc/23/19/88/582231988.db2.gz CDVWOBCDGJIXDY-JTQLQIEISA-N 0 3 270.333 -1.119 20 0 CAADHN COC(=O)C[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852885457 582232002 /nfs/dbraw/zinc/23/20/02/582232002.db2.gz QWXJBHHEGHFDJD-RKDXNWHRSA-N 0 3 285.300 -1.120 20 0 CAADHN COC[C@H](NC(=O)C1=NO[C@@H](CN)C1)C(=O)OC ZINC000852886618 582232005 /nfs/dbraw/zinc/23/20/05/582232005.db2.gz QPLMLIGEIPLMOQ-SVRRBLITSA-N 0 3 259.262 -1.606 20 0 CAADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852888328 582232029 /nfs/dbraw/zinc/23/20/29/582232029.db2.gz JMCOLWTXBJNBLY-HGNGGELXSA-N 0 3 285.300 -1.385 20 0 CAADHN COCCN(CC(=O)OC)C(=O)C1=NO[C@H](CN)C1 ZINC000852885460 582232043 /nfs/dbraw/zinc/23/20/43/582232043.db2.gz QZJNLCNUBVPOBW-QMMMGPOBSA-N 0 3 273.289 -1.262 20 0 CAADHN CN(C)C(=O)NCCN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852886968 582232053 /nfs/dbraw/zinc/23/20/53/582232053.db2.gz APQVCKNUVIQVFI-QMMMGPOBSA-N 0 3 271.321 -1.180 20 0 CAADHN COC(=O)C[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852885455 582232060 /nfs/dbraw/zinc/23/20/60/582232060.db2.gz QWXJBHHEGHFDJD-DTWKUNHWSA-N 0 3 285.300 -1.120 20 0 CAADHN CNC(=O)C(C)(C)CNC(=O)C1=NO[C@H](CN)C1 ZINC000852888581 582232165 /nfs/dbraw/zinc/23/21/65/582232165.db2.gz JJNNMXFKJRTDFP-ZETCQYMHSA-N 0 3 256.306 -1.022 20 0 CAADHN CCN1C[C@H](NC(=O)C2=NO[C@H](CN)C2)CC1=O ZINC000852895267 582232130 /nfs/dbraw/zinc/23/21/30/582232130.db2.gz VULGEMCNZDPDLQ-SFYZADRCSA-N 0 3 254.290 -1.173 20 0 CAADHN CNC(=O)C(C)(C)CNC(=O)C1=NO[C@@H](CN)C1 ZINC000852888580 582232178 /nfs/dbraw/zinc/23/21/78/582232178.db2.gz JJNNMXFKJRTDFP-SSDOTTSWSA-N 0 3 256.306 -1.022 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)C[C@H](C)O1 ZINC000852896060 582232180 /nfs/dbraw/zinc/23/21/80/582232180.db2.gz RBSZAANSDFGGAU-NRPADANISA-N 0 3 285.300 -1.121 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C2=NO[C@@H](CN)C2)O1 ZINC000852888805 582232186 /nfs/dbraw/zinc/23/21/86/582232186.db2.gz MQTARDLAIRJZPW-KKZNHRDASA-N 0 3 298.343 -1.158 20 0 CAADHN CCN(CCS(C)(=O)=O)C(=O)C1=NO[C@@H](CN)C1 ZINC000852888783 582232200 /nfs/dbraw/zinc/23/22/00/582232200.db2.gz JVTMJMUBQMKBAX-MRVPVSSYSA-N 0 3 277.346 -1.017 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852894377 582232206 /nfs/dbraw/zinc/23/22/06/582232206.db2.gz QLHCPTGFHDKUEK-VXNVDRBHSA-N 0 3 271.273 -1.510 20 0 CAADHN COC(=O)N(C)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852913268 582232419 /nfs/dbraw/zinc/23/24/19/582232419.db2.gz XTFCKDLWZLPKJJ-ZETCQYMHSA-N 0 3 258.278 -1.096 20 0 CAADHN CN1CCN(C(=O)C2=NO[C@@H](CN)C2)CCC1=O ZINC000852910467 582232472 /nfs/dbraw/zinc/23/24/72/582232472.db2.gz VOOMVDKCDVDJAN-MRVPVSSYSA-N 0 3 254.290 -1.219 20 0 CAADHN NC[C@H]1CC(C(=O)NCc2nc(C(N)=O)cs2)=NO1 ZINC000852911188 582232584 /nfs/dbraw/zinc/23/25/84/582232584.db2.gz PMWVCANESFFVLO-RXMQYKEDSA-N 0 3 283.313 -1.038 20 0 CAADHN CN(C[C@@H]1COCCO1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852908153 582232588 /nfs/dbraw/zinc/23/25/88/582232588.db2.gz VDKJJXOUXVODME-RKDXNWHRSA-N 0 3 257.290 -1.036 20 0 CAADHN COC(=O)N(C)CC(=O)N1CCOC2(CNC2)C1 ZINC000853245075 582233147 /nfs/dbraw/zinc/23/31/47/582233147.db2.gz REZJYNXYALQSJO-UHFFFAOYSA-N 0 3 257.290 -1.115 20 0 CAADHN Cc1nn(CN2CCN(CCN(C)C)C(=O)C2)c(=O)o1 ZINC000853519649 582233375 /nfs/dbraw/zinc/23/33/75/582233375.db2.gz UFJLFYYMISROJT-UHFFFAOYSA-N 0 3 283.332 -1.192 20 0 CAADHN O=C(NCCN1CCCC1)[C@@H]1CC(=O)NC(=O)N1 ZINC000854300207 582233831 /nfs/dbraw/zinc/23/38/31/582233831.db2.gz WWCSWJYPYOQCRW-QMMMGPOBSA-N 0 3 254.290 -1.204 20 0 CAADHN CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CO)CN(C)C ZINC000854466450 582234317 /nfs/dbraw/zinc/23/43/17/582234317.db2.gz CYSSSUWLPZEAMX-NXEZZACHSA-N 0 3 275.374 -1.054 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000854467413 582234401 /nfs/dbraw/zinc/23/44/01/582234401.db2.gz UMOMGTXIWSTBPL-QMMMGPOBSA-N 0 3 284.316 -2.264 20 0 CAADHN C[NH+](C)CCO[N-]C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000854690577 582235709 /nfs/dbraw/zinc/23/57/09/582235709.db2.gz ZFHNEGMWYWVVDR-SECBINFHSA-N 0 3 294.377 -1.489 20 0 CAADHN CN(C)CCONC(=O)CCS(=O)(=O)N(C)C ZINC000854945535 582236994 /nfs/dbraw/zinc/23/69/94/582236994.db2.gz LQDMVTIIKVMQGQ-UHFFFAOYSA-N 0 3 267.351 -1.123 20 0 CAADHN CN(C)CCONC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O ZINC000854947390 582237145 /nfs/dbraw/zinc/23/71/45/582237145.db2.gz UGNQSPKGHSCILJ-WAYWQWQTSA-N 0 3 296.327 -1.293 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CCCN2C=O)CC1=O ZINC000855013901 582237251 /nfs/dbraw/zinc/23/72/51/582237251.db2.gz DFGSGAHHZOTSKG-GFCCVEGCSA-N 0 3 296.371 -1.160 20 0 CAADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cnn(C)n1 ZINC000855697995 582237778 /nfs/dbraw/zinc/23/77/78/582237778.db2.gz IVPIYIHLQLDJFX-UHFFFAOYSA-N 0 3 282.348 -1.093 20 0 CAADHN Cn1cnc(NC(=O)NCCN2CC[C@H](O)C2)cc1=O ZINC000888493583 582237984 /nfs/dbraw/zinc/23/79/84/582237984.db2.gz AURWFMXDIKHQPZ-VIFPVBQESA-N 0 3 281.316 -1.032 20 0 CAADHN CCN(CC)S(=O)(=O)N1CCN(C(=O)CNC)CC1 ZINC000856768136 582238444 /nfs/dbraw/zinc/23/84/44/582238444.db2.gz QKULTWNNTJYPDK-UHFFFAOYSA-N 0 3 292.405 -1.063 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C)[C@H](CO)C1 ZINC000857103294 582238730 /nfs/dbraw/zinc/23/87/30/582238730.db2.gz GBTILGRZZMZCNW-UTLUCORTSA-N 0 3 257.334 -1.073 20 0 CAADHN C[C@H]([NH3+])C[N-]C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000857764269 582239382 /nfs/dbraw/zinc/23/93/82/582239382.db2.gz NXVZHUKWBPZKPR-ZETCQYMHSA-N 0 3 265.260 -1.056 20 0 CAADHN [NH3+]CC[N-]C(=O)C(F)(F)C(=O)N1CCOCC1 ZINC000857763357 582239407 /nfs/dbraw/zinc/23/94/07/582239407.db2.gz ZMAMZBVWLDJRTO-UHFFFAOYSA-N 0 3 251.233 -1.445 20 0 CAADHN Nc1nc(N)nc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1 ZINC000858527455 582240231 /nfs/dbraw/zinc/24/02/31/582240231.db2.gz HEVVZMHWZSADJG-RITPCOANSA-N 0 3 265.277 -1.029 20 0 CAADHN NC(=O)C1=NO[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000858504845 582240238 /nfs/dbraw/zinc/24/02/38/582240238.db2.gz ZYDSJOUCYRMYOQ-VKHMYHEASA-N 0 3 252.238 -1.922 20 0 CAADHN C[C@@H](CCO)NC1CN(S(=O)(=O)N(C)C)C1 ZINC000858569417 582240240 /nfs/dbraw/zinc/24/02/40/582240240.db2.gz GREQYORLUNVQBN-QMMMGPOBSA-N 0 3 251.352 -1.163 20 0 CAADHN Nc1nc(N)nc(N2CCN3C(=O)OC[C@H]3C2)n1 ZINC000858448155 582240250 /nfs/dbraw/zinc/24/02/50/582240250.db2.gz ZPGRSJCIAZQGGN-RXMQYKEDSA-N 0 3 251.250 -1.323 20 0 CAADHN CCS(=O)(=O)CCN(C)c1nc(N)nc(N)n1 ZINC000858459605 582240255 /nfs/dbraw/zinc/24/02/55/582240255.db2.gz GKNYSIKIXJHNJA-UHFFFAOYSA-N 0 3 260.323 -1.093 20 0 CAADHN NC(=O)CN1CCN(c2ccnc(CO)c2)CC1=O ZINC000858567011 582240273 /nfs/dbraw/zinc/24/02/73/582240273.db2.gz PFNWFXRFUKMLKU-UHFFFAOYSA-N 0 3 264.285 -1.292 20 0 CAADHN O=C1OC[C@H]2CN(C[C@H](O)CN3CCOCC3)C[C@@H]12 ZINC000860156811 582242396 /nfs/dbraw/zinc/24/23/96/582242396.db2.gz GSKUJDZRLBUHRZ-IJLUTSLNSA-N 0 3 270.329 -1.216 20 0 CAADHN CN1CC[C@](O)(CNC(=O)Nc2cc(=O)n(C)cn2)C1 ZINC000888508720 582243488 /nfs/dbraw/zinc/24/34/88/582243488.db2.gz BKTWJOWFXQAPQP-LBPRGKRZSA-N 0 3 281.316 -1.032 20 0 CAADHN O=C(NC[C@H]1CNCCO1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000861645525 582244311 /nfs/dbraw/zinc/24/43/11/582244311.db2.gz GULFPMRPVAZYQI-OPRDCNLKSA-N 0 3 269.301 -1.211 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N(C)C[C@H](C)N ZINC000861649148 582244351 /nfs/dbraw/zinc/24/43/51/582244351.db2.gz DBCJPJCDIVHCDW-DJLDLDEBSA-N 0 3 279.362 -1.213 20 0 CAADHN COCCNCCNC(=O)N[C@@H](C)C(=O)N(C)OC ZINC000861640596 582244377 /nfs/dbraw/zinc/24/43/77/582244377.db2.gz FLWPOYFGFAZXDZ-VIFPVBQESA-N 0 3 276.337 -1.070 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)N1CCN(C)C[C@@H]1CN ZINC000861698308 582244549 /nfs/dbraw/zinc/24/45/49/582244549.db2.gz CLGAGHRMPMGVOQ-UWVGGRQHSA-N 0 3 287.364 -1.321 20 0 CAADHN O=C([C@@H]1COC(=O)N1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000861716527 582244670 /nfs/dbraw/zinc/24/46/70/582244670.db2.gz ROQNLKYPFQBDLZ-UTLUCORTSA-N 0 3 269.301 -1.238 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)Cc1ccc(C(N)=O)nc1 ZINC000861718461 582244687 /nfs/dbraw/zinc/24/46/87/582244687.db2.gz MDTYIPDGROVPQO-JTQLQIEISA-N 0 3 280.328 -1.238 20 0 CAADHN C[C@@H](CN)NC(=O)C(=O)NC[C@@H]1COCCN1C ZINC000861779348 582245162 /nfs/dbraw/zinc/24/51/62/582245162.db2.gz UBBDEJVAAWZSGD-DTWKUNHWSA-N 0 3 258.322 -2.103 20 0 CAADHN NCCN(CCO)C(=O)C(=O)NCC[C@@H]1CCCOC1 ZINC000861789573 582245191 /nfs/dbraw/zinc/24/51/91/582245191.db2.gz SQSREGHCBTUEMQ-NSHDSACASA-N 0 3 287.360 -1.301 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C(=O)N(CCN)CCO ZINC000861800185 582245299 /nfs/dbraw/zinc/24/52/99/582245299.db2.gz JULNXCNTKVBAEH-SNVBAGLBSA-N 0 3 288.348 -2.787 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)C(=O)N(CCN)CCO ZINC000861800184 582245372 /nfs/dbraw/zinc/24/53/72/582245372.db2.gz JULNXCNTKVBAEH-JTQLQIEISA-N 0 3 288.348 -2.787 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2COCO2)CC1=O ZINC000861973058 582246009 /nfs/dbraw/zinc/24/60/09/582246009.db2.gz YYZOMJOWNCENGY-WDEREUQCSA-N 0 3 285.344 -1.114 20 0 CAADHN O=C([C@@H]1CCOC(=O)N1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000862144010 582246205 /nfs/dbraw/zinc/24/62/05/582246205.db2.gz QUBSNKMMALMAKR-AEJSXWLSSA-N 0 3 269.301 -1.238 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)O1 ZINC000862142860 582246216 /nfs/dbraw/zinc/24/62/16/582246216.db2.gz DTOHZZBERMPOGN-QCNOEVLYSA-N 0 3 298.339 -1.016 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H]2CCOC(=O)N2)CC1=O ZINC000862122028 582246241 /nfs/dbraw/zinc/24/62/41/582246241.db2.gz SVIMNEXNHHDTAE-SNVBAGLBSA-N 0 3 298.343 -1.283 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)NN2CCOC2=O)CC1=O ZINC000862700204 582247125 /nfs/dbraw/zinc/24/71/25/582247125.db2.gz OOUGKNCBHORLMR-SECBINFHSA-N 0 3 284.316 -1.120 20 0 CAADHN CCOC(=O)[C@H]1NCC[C@@H]1NCCN1CC[C@H](O)C1 ZINC000863546494 582249161 /nfs/dbraw/zinc/24/91/61/582249161.db2.gz JUJCSIAWNHIZHP-SRVKXCTJSA-N 0 3 271.361 -1.064 20 0 CAADHN CCOC(=O)[C@@H]1NCC[C@H]1NCCN1CC[C@@H](O)C1 ZINC000863547359 582249165 /nfs/dbraw/zinc/24/91/65/582249165.db2.gz JUJCSIAWNHIZHP-IJLUTSLNSA-N 0 3 271.361 -1.064 20 0 CAADHN CCOC(=O)[C@@H]1NCC[C@@H]1NCCN1CC[C@@H](O)C1 ZINC000863547358 582249232 /nfs/dbraw/zinc/24/92/32/582249232.db2.gz JUJCSIAWNHIZHP-GRYCIOLGSA-N 0 3 271.361 -1.064 20 0 CAADHN CCOC(=O)[C@H]1NCC[C@@H]1NCCN1CC[C@@H](O)C1 ZINC000863547361 582249238 /nfs/dbraw/zinc/24/92/38/582249238.db2.gz JUJCSIAWNHIZHP-WOPDTQHZSA-N 0 3 271.361 -1.064 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000863629313 582249387 /nfs/dbraw/zinc/24/93/87/582249387.db2.gz KUCLTOYDVVCIQR-WDEREUQCSA-N 0 3 284.360 -1.099 20 0 CAADHN CN(C)S(=O)(=O)N1CC(NC[C@@H](O)C2CC2)C1 ZINC000863586536 582249395 /nfs/dbraw/zinc/24/93/95/582249395.db2.gz CUQPVVAJFMIJDP-SNVBAGLBSA-N 0 3 263.363 -1.163 20 0 CAADHN CON(C)C(=O)[C@H](C)NC[C@@H](O)CN1CCOCC1 ZINC000863587884 582249398 /nfs/dbraw/zinc/24/93/98/582249398.db2.gz UOVOFJKXTJXYRD-WDEREUQCSA-N 0 3 275.349 -1.323 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000863624719 582249424 /nfs/dbraw/zinc/24/94/24/582249424.db2.gz NVKYERCGIMTIGZ-NKWVEPMBSA-N 0 3 266.319 -1.056 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)C(C)S(C)(=O)=O ZINC000863703306 582249508 /nfs/dbraw/zinc/24/95/08/582249508.db2.gz NVKYERCGIMTIGZ-RNFRBKRXSA-N 0 3 266.319 -1.056 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000863706499 582249614 /nfs/dbraw/zinc/24/96/14/582249614.db2.gz KUCLTOYDVVCIQR-GHMZBOCLSA-N 0 3 284.360 -1.099 20 0 CAADHN CCN(CCN)C(=O)C(=O)N1CC(=O)N(C)C[C@@H]1C ZINC000863760854 582249955 /nfs/dbraw/zinc/24/99/55/582249955.db2.gz CFFFELGHFQOVRJ-VIFPVBQESA-N 0 3 270.333 -1.517 20 0 CAADHN CN1C[C@@H](O)C[C@]1(C)C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864059917 582250722 /nfs/dbraw/zinc/25/07/22/582250722.db2.gz UDRFNWRAGDGYOI-KZVDOYCCSA-N 0 3 283.372 -1.281 20 0 CAADHN CN1CCO[C@H](C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1=O ZINC000864059556 582250813 /nfs/dbraw/zinc/25/08/13/582250813.db2.gz LQMDWEZFECZBDS-AXFHLTTASA-N 0 3 283.328 -1.879 20 0 CAADHN C[C@@H](O)[C@@H](O)CNC(=O)C1CN(C2CCOCC2)C1 ZINC000864075533 582251358 /nfs/dbraw/zinc/25/13/58/582251358.db2.gz UQASXJSWRDIQKR-SKDRFNHKSA-N 0 3 272.345 -1.045 20 0 CAADHN NS(=O)(=O)NC1CN(C(=O)C23CCN(CC2)C3)C1 ZINC000864080293 582251773 /nfs/dbraw/zinc/25/17/73/582251773.db2.gz DOHKPPUWXZIEET-UHFFFAOYSA-N 0 3 274.346 -1.914 20 0 CAADHN O=C1C[C@@H](N2C[C@@H]3COC(=O)[C@@H]3C2)C(=O)N1CCCO ZINC000864350491 582252206 /nfs/dbraw/zinc/25/22/06/582252206.db2.gz IKRWTRGVRARMQS-OPRDCNLKSA-N 0 3 282.296 -1.399 20 0 CAADHN CN(C)CCNC(=S)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000865261818 582253090 /nfs/dbraw/zinc/25/30/90/582253090.db2.gz DAFHCDLPYPDERX-DTORHVGOSA-N 0 3 284.385 -1.031 20 0 CAADHN O=C1NCCO[C@@H]2CCCN(C[C@H]3CNCCO3)[C@H]12 ZINC000866718156 582254072 /nfs/dbraw/zinc/25/40/72/582254072.db2.gz YAEOUYMQTXDLDQ-UTUOFQBUSA-N 0 3 269.345 -1.046 20 0 CAADHN CS(C)(=O)=NS(=O)(=O)[N-][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000866766121 582254081 /nfs/dbraw/zinc/25/40/81/582254081.db2.gz JTKPPOJTXLSGQZ-ZMONIFLSSA-N 0 3 253.349 -1.234 20 0 CAADHN CC[S@](C)(=O)=NS(=O)(=O)N1CCN(C)C[C@@H]1CN ZINC000866742031 582254124 /nfs/dbraw/zinc/25/41/24/582254124.db2.gz KHBULIVOTDCYIQ-XYZCENFISA-N 0 3 298.434 -1.076 20 0 CAADHN COCCNCC(=O)N1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000867991637 582255335 /nfs/dbraw/zinc/25/53/35/582255335.db2.gz BMGQMPVFUNZJGS-DTORHVGOSA-N 0 3 269.301 -1.704 20 0 CAADHN O=C(CN1CCCCC(=O)C1=O)NC[C@@H]1CNCCO1 ZINC000867979651 582255343 /nfs/dbraw/zinc/25/53/43/582255343.db2.gz LPNUYXOAHVCAAB-JTQLQIEISA-N 0 3 283.328 -1.327 20 0 CAADHN O=C(CNC1CC1)NC[C@]12COCCN1C(=O)COC2 ZINC000867996601 582255449 /nfs/dbraw/zinc/25/54/49/582255449.db2.gz HPDGCLFCNQJXEO-CYBMUJFWSA-N 0 3 283.328 -1.518 20 0 CAADHN N[C@@H]1C[C@@H]1C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000867996588 582255479 /nfs/dbraw/zinc/25/54/79/582255479.db2.gz HDMDGPVUMUMFHB-YGOYTEALSA-N 0 3 269.301 -1.922 20 0 CAADHN CC1(C)CN[C@@H]1C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000867996508 582255484 /nfs/dbraw/zinc/25/54/84/582255484.db2.gz DWGZGKNFLYIZOE-RISCZKNCSA-N 0 3 297.355 -1.272 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)CNC[C@H]3CCCO3)C[C@H]2C1=O ZINC000867991639 582255508 /nfs/dbraw/zinc/25/55/08/582255508.db2.gz BMGUWQVWYFEAPY-MXWKQRLJSA-N 0 3 295.339 -1.172 20 0 CAADHN NC1(C(=O)NC[C@@]23COCCN2C(=O)COC3)CC1 ZINC000867997404 582255642 /nfs/dbraw/zinc/25/56/42/582255642.db2.gz VUIOFHKJCCAGKB-NSHDSACASA-N 0 3 269.301 -1.778 20 0 CAADHN C[C@@H](N)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000867998184 582255648 /nfs/dbraw/zinc/25/56/48/582255648.db2.gz RIYCDFLSBQZDDO-LDYMZIIASA-N 0 3 257.290 -1.922 20 0 CAADHN CN(C)C(=O)CNC(=O)C(=O)N1C2CCC1(CN)CC2 ZINC000868290980 582256005 /nfs/dbraw/zinc/25/60/05/582256005.db2.gz WSCCDUFQQSHUDE-UHFFFAOYSA-N 0 3 282.344 -1.327 20 0 CAADHN CC[C@]1(C(=O)N[C@@H](CO)CN(C)C)CCNC1=O ZINC000868346025 582256179 /nfs/dbraw/zinc/25/61/79/582256179.db2.gz WLNZRZGSNKEALO-SKDRFNHKSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)/C=C\CN1CCOCC1 ZINC000868345371 582256207 /nfs/dbraw/zinc/25/62/07/582256207.db2.gz HCFRFXGEMOMUAF-MVZIDQBPSA-N 0 3 271.361 -1.087 20 0 CAADHN CC[C@]1(C(=O)N[C@H](CO)CN(C)C)CCNC1=O ZINC000868346023 582256219 /nfs/dbraw/zinc/25/62/19/582256219.db2.gz WLNZRZGSNKEALO-CABZTGNLSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@H](O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CCO1 ZINC000868413509 582256400 /nfs/dbraw/zinc/25/64/00/582256400.db2.gz LFLGFPGJBQDWGU-TUAOUCFPSA-N 0 3 299.371 -1.066 20 0 CAADHN C[C@@H](O)[C@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2CN)CCO1 ZINC000868413505 582256411 /nfs/dbraw/zinc/25/64/11/582256411.db2.gz LFLGFPGJBQDWGU-IJLUTSLNSA-N 0 3 299.371 -1.066 20 0 CAADHN O=C(N[C@H]1CCOC1=O)[C@@H]1CN2CCN1CCC2 ZINC000869094397 582256978 /nfs/dbraw/zinc/25/69/78/582256978.db2.gz MKJKIHNAOBNMKH-UWVGGRQHSA-N 0 3 253.302 -1.192 20 0 CAADHN CN1C(=O)[C@H]2CN(C(=O)C(N)C(F)(F)F)C[C@H]2C1=O ZINC000870960585 582257593 /nfs/dbraw/zinc/25/75/93/582257593.db2.gz GUUSXAOYZNAHMP-JKUQZMGJSA-N 0 3 279.218 -1.051 20 0 CAADHN NC[C@H]1CN(C(=O)CN2CCCCC(=O)C2=O)CCO1 ZINC000870939923 582257610 /nfs/dbraw/zinc/25/76/10/582257610.db2.gz DCBOKZZHDWYJOF-JTQLQIEISA-N 0 3 283.328 -1.246 20 0 CAADHN C[C@@H](NC1CC1)C(=O)NC[C@]12COCCN1C(=O)COC2 ZINC000870977061 582257661 /nfs/dbraw/zinc/25/76/61/582257661.db2.gz AOEQTEFSWRYNNH-QMTHXVAHSA-N 0 3 297.355 -1.129 20 0 CAADHN C[C@H](O)[C@H](O)CNC(=O)c1ccn(CCN(C)C)n1 ZINC000871138564 582257988 /nfs/dbraw/zinc/25/79/88/582257988.db2.gz ADONBSKNFKSPCX-GXSJLCMTSA-N 0 3 270.333 -1.084 20 0 CAADHN CCN1CCN(CCC(=O)NC[C@H](O)[C@@H](C)O)CC1 ZINC000871132340 582258010 /nfs/dbraw/zinc/25/80/10/582258010.db2.gz MGQZSCWXFINFJH-NEPJUHHUSA-N 0 3 273.377 -1.128 20 0 CAADHN C[C@@H](O)[C@H](O)CNC(=O)c1ccn(CCN(C)C)n1 ZINC000871138566 582258045 /nfs/dbraw/zinc/25/80/45/582258045.db2.gz ADONBSKNFKSPCX-MWLCHTKSSA-N 0 3 270.333 -1.084 20 0 CAADHN CN(C)CC(=O)NC[C@@H]1CN(C(=O)CN(C)C)CCO1 ZINC000871462412 582258303 /nfs/dbraw/zinc/25/83/03/582258303.db2.gz RMXLICDLPVCJEV-LLVKDONJSA-N 0 3 286.376 -1.547 20 0 CAADHN CC(C)(O)C[C@H](O)CN[C@@H](CO)CN1CCOCC1 ZINC000872214811 582258977 /nfs/dbraw/zinc/25/89/77/582258977.db2.gz GKXCZYLORWWVOD-NEPJUHHUSA-N 0 3 276.377 -1.209 20 0 CAADHN CN(C)S(=O)(=O)CCNC[C@@H](O)CC(C)(C)O ZINC000872209336 582259007 /nfs/dbraw/zinc/25/90/07/582259007.db2.gz ZYBIPIQWGBEXFV-VIFPVBQESA-N 0 3 268.379 -1.011 20 0 CAADHN NC(=O)CCNC[C@]12COCCN1C(=O)COC2 ZINC000872232793 582259013 /nfs/dbraw/zinc/25/90/13/582259013.db2.gz GZDWFMOMZKSAJU-LLVKDONJSA-N 0 3 257.290 -1.921 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N1CCNCCC1(C)C ZINC000872291511 582259121 /nfs/dbraw/zinc/25/91/21/582259121.db2.gz UWGWNVOQKSVWNT-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CCN(CC)C(=O)CN1CCN(C(=O)CN)CC1 ZINC000019687560 582259610 /nfs/dbraw/zinc/25/96/10/582259610.db2.gz ZFNJGSNOGVSMOW-UHFFFAOYSA-N 0 3 256.350 -1.042 20 0 CAADHN C[C@@H](CNC(=O)N(C)CCS(N)(=O)=O)N(C)C ZINC000873033039 582259634 /nfs/dbraw/zinc/25/96/34/582259634.db2.gz HWXYGFUNMJBWKH-QMMMGPOBSA-N 0 3 266.367 -1.134 20 0 CAADHN CCOC(=O)[C@@H]1NCC[C@H]1NCCCS(=O)(=O)NC ZINC000873241830 582259787 /nfs/dbraw/zinc/25/97/87/582259787.db2.gz GIRUFIQGIIDCGV-NXEZZACHSA-N 0 3 293.389 -1.191 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCOC[C@H]2O)CC1=O ZINC000874886454 582260544 /nfs/dbraw/zinc/26/05/44/582260544.db2.gz PCCOENVQAWPYLG-QJPTWQEYSA-N 0 3 299.371 -1.338 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1COC[C@H]1O ZINC000875237561 582260999 /nfs/dbraw/zinc/26/09/99/582260999.db2.gz PZVIXCOLTHHPSX-WHOHXGKFSA-N 0 3 285.344 -1.092 20 0 CAADHN COCCN(C)CCNC(=O)N1CC(O)(C(=O)OC)C1 ZINC000875214973 582261066 /nfs/dbraw/zinc/26/10/66/582261066.db2.gz GDOKLSWDVQIVCW-UHFFFAOYSA-N 0 3 289.332 -1.506 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N[C@H]1COC[C@H]1O ZINC000875237559 582261085 /nfs/dbraw/zinc/26/10/85/582261085.db2.gz PZVIXCOLTHHPSX-FIQHERPVSA-N 0 3 285.344 -1.092 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1COC[C@H]1O ZINC000875237562 582261158 /nfs/dbraw/zinc/26/11/58/582261158.db2.gz PZVIXCOLTHHPSX-WISYIIOYSA-N 0 3 285.344 -1.092 20 0 CAADHN CON(C)C(=O)[C@H](C)NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000875896500 582261940 /nfs/dbraw/zinc/26/19/40/582261940.db2.gz NPKQGNCSIJIJDZ-JOYOIKCWSA-N 0 3 288.348 -1.240 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C)C[C@@H]2CN)O1 ZINC000876541976 582262606 /nfs/dbraw/zinc/26/26/06/582262606.db2.gz IIWYZLPMYUFKJQ-AXFHLTTASA-N 0 3 285.344 -1.192 20 0 CAADHN CN1CCN(C(=O)/C=C\CN2CCOCC2)[C@@H](CN)C1 ZINC000876542025 582262625 /nfs/dbraw/zinc/26/26/25/582262625.db2.gz JOHBSTLUSCEUBA-ZRMMWKCHSA-N 0 3 282.388 -1.024 20 0 CAADHN CN1CCN(C(=O)/C=C\CN2CCOCC2)[C@H](CN)C1 ZINC000876542023 582262640 /nfs/dbraw/zinc/26/26/40/582262640.db2.gz JOHBSTLUSCEUBA-XQJDBVBESA-N 0 3 282.388 -1.024 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(C)C[C@H]2CN)O1 ZINC000876541977 582262661 /nfs/dbraw/zinc/26/26/61/582262661.db2.gz IIWYZLPMYUFKJQ-MXWKQRLJSA-N 0 3 285.344 -1.192 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000876555794 582262701 /nfs/dbraw/zinc/26/27/01/582262701.db2.gz DBJFYRHYQNWKBW-RYUDHWBXSA-N 0 3 298.387 -1.275 20 0 CAADHN O=C(CN1CCNCC1)NCC(=O)OCC1CC1 ZINC000876641331 582262721 /nfs/dbraw/zinc/26/27/21/582262721.db2.gz IVKPBKQCIVMWFI-UHFFFAOYSA-N 0 3 255.318 -1.039 20 0 CAADHN O=C(CN1CCNCC1)NCCCN1CCOC1=O ZINC000876641905 582262731 /nfs/dbraw/zinc/26/27/31/582262731.db2.gz PWNVCJOUPNHRTJ-UHFFFAOYSA-N 0 3 270.333 -1.150 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000876555793 582262797 /nfs/dbraw/zinc/26/27/97/582262797.db2.gz DBJFYRHYQNWKBW-NWDGAFQWSA-N 0 3 298.387 -1.275 20 0 CAADHN NC(=O)C1(NC(=O)CN2CCNCC2)CCCC1 ZINC000876663700 582262863 /nfs/dbraw/zinc/26/28/63/582262863.db2.gz BODZPFCOJUZCRI-UHFFFAOYSA-N 0 3 254.334 -1.194 20 0 CAADHN CN(C)C[C@H](N)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000876667242 582262881 /nfs/dbraw/zinc/26/28/81/582262881.db2.gz BPJXXNGAUYBGNX-SCZZXKLOSA-N 0 3 254.334 -1.245 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](N)CN(C)C ZINC000876693827 582262903 /nfs/dbraw/zinc/26/29/03/582262903.db2.gz AMMVLDGAKIKUAZ-UWVGGRQHSA-N 0 3 292.405 -1.585 20 0 CAADHN CN(C)C[C@H](N)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000876667243 582262909 /nfs/dbraw/zinc/26/29/09/582262909.db2.gz BPJXXNGAUYBGNX-WPRPVWTQSA-N 0 3 254.334 -1.245 20 0 CAADHN CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876660469 582262946 /nfs/dbraw/zinc/26/29/46/582262946.db2.gz DXXKECXKHSFNBQ-UWVGGRQHSA-N 0 3 292.405 -1.585 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000876666099 582262954 /nfs/dbraw/zinc/26/29/54/582262954.db2.gz FDHFMOJHCNXUQG-JTQLQIEISA-N 0 3 254.334 -1.292 20 0 CAADHN CCNC(=O)N1CC[C@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000876704416 582263052 /nfs/dbraw/zinc/26/30/52/582263052.db2.gz OLYJOUNELQUQMK-UWVGGRQHSA-N 0 3 271.365 -1.205 20 0 CAADHN COCCN1CC[C@@H](NC(=O)[C@@H](N)CN(C)C)C1 ZINC000876756583 582263073 /nfs/dbraw/zinc/26/30/73/582263073.db2.gz VQGGCBVXELCIOA-MNOVXSKESA-N 0 3 258.366 -1.288 20 0 CAADHN CC(C)NC(=O)CN1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000876712331 582263102 /nfs/dbraw/zinc/26/31/02/582263102.db2.gz GBDMQUDRCGSJRK-LBPRGKRZSA-N 0 3 299.419 -1.456 20 0 CAADHN C[C@H](CNC(=O)[C@@H](N)CN(C)C)CN1CCOCC1 ZINC000876747232 582263108 /nfs/dbraw/zinc/26/31/08/582263108.db2.gz YQLNBJGPLPKDLF-NEPJUHHUSA-N 0 3 272.393 -1.040 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000876753086 582263128 /nfs/dbraw/zinc/26/31/28/582263128.db2.gz IFKWVYZZDHSXST-RWMBFGLXSA-N 0 3 284.404 -1.067 20 0 CAADHN COCCN1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000876715502 582263141 /nfs/dbraw/zinc/26/31/41/582263141.db2.gz NOKJDPJUGRDMOH-NSHDSACASA-N 0 3 258.366 -1.334 20 0 CAADHN COC(=O)[C@@H]1CNCCCN1C(=O)[C@@H](N)CN(C)C ZINC000876847383 582263402 /nfs/dbraw/zinc/26/34/02/582263402.db2.gz JDFNHJAWHXTLPH-UWVGGRQHSA-N 0 3 272.349 -1.761 20 0 CAADHN C[C@H](C(=O)N[C@@H]1CNCCC1(F)F)N1CCNCC1=O ZINC000876865270 582263433 /nfs/dbraw/zinc/26/34/33/582263433.db2.gz WUDJSWRNRVLOHQ-RKDXNWHRSA-N 0 3 290.314 -1.080 20 0 CAADHN O=C(CN1CCNCC1)N1CCNC[C@@H]1C(F)F ZINC000876854933 582263445 /nfs/dbraw/zinc/26/34/45/582263445.db2.gz XQNAYKBMGFZBPQ-SECBINFHSA-N 0 3 262.304 -1.043 20 0 CAADHN CN(C)C[C@H](N)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000876880927 582263600 /nfs/dbraw/zinc/26/36/00/582263600.db2.gz QGPYLAFKAMARJV-ZDUSSCGKSA-N 0 3 285.436 -1.029 20 0 CAADHN C[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)[C@@H](C(N)=O)C1 ZINC000876884528 582263629 /nfs/dbraw/zinc/26/36/29/582263629.db2.gz KWQARXSLKBMBPA-KXUCPTDWSA-N 0 3 256.350 -1.012 20 0 CAADHN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)[C@@H](N)CN(C)C ZINC000876901435 582263701 /nfs/dbraw/zinc/26/37/01/582263701.db2.gz CHVYDHHXMPYZMK-IVZWLZJFSA-N 0 3 273.333 -1.600 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CNCCO2)O1 ZINC000876916795 582263719 /nfs/dbraw/zinc/26/37/19/582263719.db2.gz GWEIFHZULKCPTQ-AEJSXWLSSA-N 0 3 272.301 -1.188 20 0 CAADHN COCCN1CCN(C(=O)[C@@H](N)CN(C)C)CC1=O ZINC000876902520 582263729 /nfs/dbraw/zinc/26/37/29/582263729.db2.gz FQJYTGWPNWVMQR-JTQLQIEISA-N 0 3 272.349 -1.808 20 0 CAADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)[C@@H](N)CN(C)C ZINC000876901333 582263746 /nfs/dbraw/zinc/26/37/46/582263746.db2.gz CHVYDHHXMPYZMK-AEJSXWLSSA-N 0 3 273.333 -1.600 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CNCCO2)O1 ZINC000876916796 582263774 /nfs/dbraw/zinc/26/37/74/582263774.db2.gz GWEIFHZULKCPTQ-BBBLOLIVSA-N 0 3 272.301 -1.188 20 0 CAADHN COC[C@]1(C(=O)NC[C@@H]2CNCCO2)CNCCO1 ZINC000876917891 582263818 /nfs/dbraw/zinc/26/38/18/582263818.db2.gz XKUNDHSHNCEUKQ-JQWIXIFHSA-N 0 3 273.333 -1.904 20 0 CAADHN CCn1ncc(CNC(=O)CN2CCNCC2)n1 ZINC000876991570 582263880 /nfs/dbraw/zinc/26/38/80/582263880.db2.gz ZVKFDXRZCOVSSS-UHFFFAOYSA-N 0 3 252.322 -1.181 20 0 CAADHN CN(C)C[C@H](N)C(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000876987334 582263902 /nfs/dbraw/zinc/26/39/02/582263902.db2.gz XXZPBYFRUJHYKQ-RYUDHWBXSA-N 0 3 288.392 -1.973 20 0 CAADHN O=C(CN1CCNCC1)N1CC[C@@H](N2CCOC2=O)C1 ZINC000876962559 582263936 /nfs/dbraw/zinc/26/39/36/582263936.db2.gz SRFRQBIHMCTUTM-LLVKDONJSA-N 0 3 282.344 -1.055 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000876966304 582263954 /nfs/dbraw/zinc/26/39/54/582263954.db2.gz PAYJMMZGZIRNDE-NEPJUHHUSA-N 0 3 270.377 -1.192 20 0 CAADHN CCNCC(=O)N1CCO[C@@H](CNC(=O)NC)C1 ZINC000877000631 582264005 /nfs/dbraw/zinc/26/40/05/582264005.db2.gz PXQVAJQBQRFWKK-VIFPVBQESA-N 0 3 258.322 -1.248 20 0 CAADHN O=C(NC[C@@H]1COCCN1)c1[nH]nc2c1CNCC2 ZINC000877039024 582264014 /nfs/dbraw/zinc/26/40/14/582264014.db2.gz DZULQSPVSFVNMK-MRVPVSSYSA-N 0 3 265.317 -1.226 20 0 CAADHN O=C(NC[C@H]1COCCN1)c1[nH]nc2c1CNCC2 ZINC000877039025 582264037 /nfs/dbraw/zinc/26/40/37/582264037.db2.gz DZULQSPVSFVNMK-QMMMGPOBSA-N 0 3 265.317 -1.226 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)C1=NO[C@H](CN)C1 ZINC000877035203 582264074 /nfs/dbraw/zinc/26/40/74/582264074.db2.gz VJKVNXVWBJPRJH-BDAKNGLRSA-N 0 3 256.306 -1.463 20 0 CAADHN COC[C@]1(C(=O)NC[C@@H]2COCCN2)CNCCO1 ZINC000877038703 582264079 /nfs/dbraw/zinc/26/40/79/582264079.db2.gz WLTMTTJIXHFMBM-PWSUYJOCSA-N 0 3 273.333 -1.904 20 0 CAADHN COC(=O)CCNC(=O)CCNC(=O)[C@@]1(F)CCNC1 ZINC000877062328 582264155 /nfs/dbraw/zinc/26/41/55/582264155.db2.gz JYEZSTTUTJHAAP-GFCCVEGCSA-N 0 3 289.307 -1.126 20 0 CAADHN NC(=O)C[C@@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000877080460 582264162 /nfs/dbraw/zinc/26/41/62/582264162.db2.gz QXYZPMCSWQEHDG-KCJUWKMLSA-N 0 3 259.281 -1.209 20 0 CAADHN NC(=O)C[C@H]1CN(C(=O)[C@]2(F)CCNC2)CCO1 ZINC000877080463 582264164 /nfs/dbraw/zinc/26/41/64/582264164.db2.gz QXYZPMCSWQEHDG-KWQFWETISA-N 0 3 259.281 -1.209 20 0 CAADHN C[C@H](N)CN(C)C(=O)CN1CCS(=O)(=O)CC1 ZINC000877103542 582264256 /nfs/dbraw/zinc/26/42/56/582264256.db2.gz OMQZRWXZCYQMGF-VIFPVBQESA-N 0 3 263.363 -1.478 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)COC1(C)CNC1 ZINC000877108047 582264391 /nfs/dbraw/zinc/26/43/91/582264391.db2.gz HUALWVJSSQJJAT-MRVPVSSYSA-N 0 3 259.306 -1.111 20 0 CAADHN O=C(CCOC1CNC1)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877114431 582264453 /nfs/dbraw/zinc/26/44/53/582264453.db2.gz PSXPXCRJDLMTSZ-PSASIEDQSA-N 0 3 254.286 -1.004 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC(=O)C[C@H]1CNCCO1 ZINC000877109038 582264456 /nfs/dbraw/zinc/26/44/56/582264456.db2.gz YNQITUGJMHYRFE-BDAKNGLRSA-N 0 3 259.306 -1.111 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000877143144 582264527 /nfs/dbraw/zinc/26/45/27/582264527.db2.gz FWDHEZUHFSJNCZ-ZEGGKSINSA-N 0 3 282.344 -1.614 20 0 CAADHN CCNCC(=O)N1CCOC[C@@H]1CNC(=O)NC ZINC000877221690 582264694 /nfs/dbraw/zinc/26/46/94/582264694.db2.gz RCSOWDHRKRGCLR-VIFPVBQESA-N 0 3 258.322 -1.248 20 0 CAADHN O=C(NC[C@@]12COCCN1C(=O)COC2)[C@@H]1CCCCN1 ZINC000877248047 582264699 /nfs/dbraw/zinc/26/46/99/582264699.db2.gz DVJKOIQGXGEMDT-FZMZJTMJSA-N 0 3 297.355 -1.128 20 0 CAADHN CNC(=O)NC[C@H]1COCCN1C(=O)[C@@H](N)CN(C)C ZINC000877220249 582264745 /nfs/dbraw/zinc/26/47/45/582264745.db2.gz DRTFZCRZBVFEDM-UWVGGRQHSA-N 0 3 287.364 -1.968 20 0 CAADHN O=C(NC[C@@]12COCCN1C(=O)COC2)[C@H]1CCCCN1 ZINC000877248048 582264751 /nfs/dbraw/zinc/26/47/51/582264751.db2.gz DVJKOIQGXGEMDT-RISCZKNCSA-N 0 3 297.355 -1.128 20 0 CAADHN O=C(CN1CCNCC1)N1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000877269150 582264839 /nfs/dbraw/zinc/26/48/39/582264839.db2.gz DYBFNMVKIOXAKZ-DGCLKSJQSA-N 0 3 296.371 -1.602 20 0 CAADHN CCN[C@@H](C)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000877249242 582264848 /nfs/dbraw/zinc/26/48/48/582264848.db2.gz UPFSFIIXIKMBMH-GWCFXTLKSA-N 0 3 285.344 -1.272 20 0 CAADHN O=C(C[C@H]1CNCCO1)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000877270124 582264851 /nfs/dbraw/zinc/26/48/51/582264851.db2.gz MRAIYYBAYNSLBJ-LOWVWBTDSA-N 0 3 297.355 -1.129 20 0 CAADHN C[S@@](=N)(=O)N1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000877298199 582264966 /nfs/dbraw/zinc/26/49/66/582264966.db2.gz BTWHHMVPKQXMBB-ROXHKKKXSA-N 0 3 276.362 -1.162 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000877271932 582265035 /nfs/dbraw/zinc/26/50/35/582265035.db2.gz YKZPXZOAQTXMQO-AXFHLTTASA-N 0 3 284.360 -1.619 20 0 CAADHN COCCNCC(=O)N1CCN([S@@](C)(=N)=O)CC1 ZINC000877300197 582265083 /nfs/dbraw/zinc/26/50/83/582265083.db2.gz VFSPQHWXURFAGE-GOSISDBHSA-N 0 3 278.378 -1.042 20 0 CAADHN C[C@]12C[NH2+]C[C@H]1CN(C(=O)CN1CC(=O)[N-]C1=O)C2 ZINC000877376726 582265138 /nfs/dbraw/zinc/26/51/38/582265138.db2.gz MQDIYTURLIGQQW-QPUJVOFHSA-N 0 3 266.301 -1.394 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN([S@](C)(=N)=O)CC1 ZINC000877299039 582265159 /nfs/dbraw/zinc/26/51/59/582265159.db2.gz JGQAPRLJICYOBD-YYSFKGJASA-N 0 3 277.394 -1.389 20 0 CAADHN CN1CN(CC(=O)NC2CCN(C)CC2)CC1=O ZINC000878376909 582266144 /nfs/dbraw/zinc/26/61/44/582266144.db2.gz FPJHECXBTDFOIR-UHFFFAOYSA-N 0 3 254.334 -1.072 20 0 CAADHN CO[C@@H]1CN(CC(=O)NC2CCN(C)CC2)C[C@H]1O ZINC000878683236 582266422 /nfs/dbraw/zinc/26/64/22/582266422.db2.gz ZHRIVEKWLPIARD-VXGBXAGGSA-N 0 3 271.361 -1.112 20 0 CAADHN CN(C)CCN1CCN(CCc2nnnn2C)CC1=O ZINC000878803329 582266557 /nfs/dbraw/zinc/26/65/57/582266557.db2.gz ZWVPRHBPDUAHBH-UHFFFAOYSA-N 0 3 281.364 -1.542 20 0 CAADHN Cn1nnnc1CCN1CCN2C[C@H](O)C[C@H]2C1 ZINC000878845441 582266795 /nfs/dbraw/zinc/26/67/95/582266795.db2.gz NNVMITSXIIZOHW-VHSXEESVSA-N 0 3 252.322 -1.497 20 0 CAADHN CON(C)C(=O)CN1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000879158464 582267175 /nfs/dbraw/zinc/26/71/75/582267175.db2.gz PIDGMAKLZOVELS-VXGBXAGGSA-N 0 3 269.301 -1.009 20 0 CAADHN CCN(CCO)CCNC(=O)C[C@@H]1CCNC1=O ZINC000879510722 582267507 /nfs/dbraw/zinc/26/75/07/582267507.db2.gz WUGYKJTTZDRGOX-JTQLQIEISA-N 0 3 257.334 -1.057 20 0 CAADHN COC(=O)CN(C)C(=O)CCN1CC[C@@H](O)[C@@H](O)C1 ZINC000879612382 582267821 /nfs/dbraw/zinc/26/78/21/582267821.db2.gz YPTQSPVJPMYHEW-ZJUUUORDSA-N 0 3 274.317 -1.565 20 0 CAADHN Cn1nc(NC(=O)NCCN2CC[C@H](O)C2)ccc1=O ZINC000879906915 582268369 /nfs/dbraw/zinc/26/83/69/582268369.db2.gz OFEPQIPMHTZSAN-VIFPVBQESA-N 0 3 281.316 -1.032 20 0 CAADHN CS(=O)(=O)NCCC(=O)N[C@@H](CO)CN1CCCC1 ZINC000879996662 582268503 /nfs/dbraw/zinc/26/85/03/582268503.db2.gz KTGDLYVGWUMZQV-SNVBAGLBSA-N 0 3 293.389 -1.501 20 0 CAADHN CS(=O)(=O)NCCC(=O)N[C@H](CO)CN1CCCC1 ZINC000879996660 582268515 /nfs/dbraw/zinc/26/85/15/582268515.db2.gz KTGDLYVGWUMZQV-JTQLQIEISA-N 0 3 293.389 -1.501 20 0 CAADHN CNC(=O)NCCC(=O)N[C@H](CO)CN1CCCC1 ZINC000879992692 582268553 /nfs/dbraw/zinc/26/85/53/582268553.db2.gz NJSHEDICXGRXTK-JTQLQIEISA-N 0 3 272.349 -1.122 20 0 CAADHN Cn1cnc(C(=O)N[C@@H](CO)CN2CCCC2)cc1=O ZINC000879989356 582268592 /nfs/dbraw/zinc/26/85/92/582268592.db2.gz FZOTYHRYAQZJFI-SNVBAGLBSA-N 0 3 280.328 -1.033 20 0 CAADHN O=C(CN1C[C@@H]2CCCN2C[C@@H]1CO)N1CCOCC1 ZINC000880069090 582268686 /nfs/dbraw/zinc/26/86/86/582268686.db2.gz VHXWKEPTQCVHSE-QWHCGFSZSA-N 0 3 283.372 -1.014 20 0 CAADHN CNC(=O)CN(CC(=O)NC)C[C@H]1CCCN1C ZINC000880153105 582269064 /nfs/dbraw/zinc/26/90/64/582269064.db2.gz FTORYLWNHYCBSQ-SNVBAGLBSA-N 0 3 256.350 -1.125 20 0 CAADHN CN(C[C@H](O)CN1CC(=O)NCC12COC2)C1CC1 ZINC000880162673 582269197 /nfs/dbraw/zinc/26/91/97/582269197.db2.gz CIJGDMYZOJHWJF-NSHDSACASA-N 0 3 269.345 -1.358 20 0 CAADHN CN(C[C@@H](O)CN1CC(=O)NCC12COC2)C1CC1 ZINC000880162671 582269213 /nfs/dbraw/zinc/26/92/13/582269213.db2.gz CIJGDMYZOJHWJF-LLVKDONJSA-N 0 3 269.345 -1.358 20 0 CAADHN CN(C)CCN1CCN(C(=O)C[C@H]2CCNC2=O)CC1=O ZINC000880524779 582269512 /nfs/dbraw/zinc/26/95/12/582269512.db2.gz DBFVTBWVMHFXPF-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN OC[C@H]1C=CCN1C[C@H](O)CN1CC=C[C@H]1CO ZINC000880489312 582269542 /nfs/dbraw/zinc/26/95/42/582269542.db2.gz SHQIRXUGBLVOIK-ITGUQSILSA-N 0 3 254.330 -1.187 20 0 CAADHN COC(=O)[C@@]1(O)CCN(C[C@H](O)Cn2cccn2)C1 ZINC000880560348 582269714 /nfs/dbraw/zinc/26/97/14/582269714.db2.gz ALDDAWGARUHWQZ-CMPLNLGQSA-N 0 3 269.301 -1.146 20 0 CAADHN COC(=O)[C@]1(O)CCN(CCC(=O)N2CCOCC2)C1 ZINC000880559338 582269741 /nfs/dbraw/zinc/26/97/41/582269741.db2.gz CIRKUWWLGJVMPY-ZDUSSCGKSA-N 0 3 286.328 -1.155 20 0 CAADHN COCCN(C)C[C@H](O)CN1CC[C@@](O)(C(=O)OC)C1 ZINC000880564901 582269881 /nfs/dbraw/zinc/26/98/81/582269881.db2.gz HCXDRLGHSLWWMZ-AAEUAGOBSA-N 0 3 290.360 -1.465 20 0 CAADHN COCCN(C)C[C@H](O)Cn1cc(CC(=O)OC)nn1 ZINC000881420677 582270243 /nfs/dbraw/zinc/27/02/43/582270243.db2.gz ZDWPGHHDYOQGJV-NSHDSACASA-N 0 3 286.332 -1.067 20 0 CAADHN COCCN(C)C[C@@H](O)Cn1cc(CC(=O)OC)nn1 ZINC000881420676 582270270 /nfs/dbraw/zinc/27/02/70/582270270.db2.gz ZDWPGHHDYOQGJV-LLVKDONJSA-N 0 3 286.332 -1.067 20 0 CAADHN CN(C)CCOCCNC(=O)NCCN1CCNC1=O ZINC000888857902 582270337 /nfs/dbraw/zinc/27/03/37/582270337.db2.gz JIIBTYLXHWAGTQ-UHFFFAOYSA-N 0 3 287.364 -1.111 20 0 CAADHN CC1C(=O)N(C)S(=O)(=O)N1CCN1CCOC1=O ZINC000882163247 582270847 /nfs/dbraw/zinc/27/08/47/582270847.db2.gz OFLRWWXZMNCWGI-SSDOTTSWSA-N 0 3 277.302 -1.154 20 0 CAADHN COC(=O)[C@H]1CNCCCN1CCn1cnnn1 ZINC000883428039 582272210 /nfs/dbraw/zinc/27/22/10/582272210.db2.gz KAYVNJOKOVPWIH-SECBINFHSA-N 0 3 254.294 -1.490 20 0 CAADHN C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2CN)CCO1 ZINC000883649887 582272384 /nfs/dbraw/zinc/27/23/84/582272384.db2.gz LFLGFPGJBQDWGU-WOPDTQHZSA-N 0 3 299.371 -1.066 20 0 CAADHN C[C@@H](CN(C)C)NC(=O)N1CC(O)(c2ncnn2C)C1 ZINC000883697789 582272545 /nfs/dbraw/zinc/27/25/45/582272545.db2.gz PGJVYCLHAWQFPY-VIFPVBQESA-N 0 3 282.348 -1.022 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)C2)[C@@H](CN)C1 ZINC000884041834 582272920 /nfs/dbraw/zinc/27/29/20/582272920.db2.gz IXFLAEYEACCKEP-AXFHLTTASA-N 0 3 268.361 -1.011 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CC[C@H](C(N)=O)C2)[C@H](CN)C1 ZINC000884041835 582273103 /nfs/dbraw/zinc/27/31/03/582273103.db2.gz IXFLAEYEACCKEP-HBNTYKKESA-N 0 3 268.361 -1.011 20 0 CAADHN COCCN(C)CCNC(=O)NCCN1CCNC1=O ZINC000884128104 582273512 /nfs/dbraw/zinc/27/35/12/582273512.db2.gz UOGUDARTUASGQK-UHFFFAOYSA-N 0 3 287.364 -1.111 20 0 CAADHN COCC[C@@H](N)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000884144847 582273657 /nfs/dbraw/zinc/27/36/57/582273657.db2.gz VQSBWQIQNQVJMM-LLVKDONJSA-N 0 3 295.343 -1.041 20 0 CAADHN CCN(CC)CC(=O)N1CC2(C1)NC(=O)NC2=O ZINC000889305951 582273720 /nfs/dbraw/zinc/27/37/20/582273720.db2.gz JFSATHNZSJCQAL-UHFFFAOYSA-N 0 3 254.290 -1.251 20 0 CAADHN CCN1C(=O)[C@@H]2CN(C(=O)[C@H](CN)OC)CCN2C1=O ZINC000884170853 582273815 /nfs/dbraw/zinc/27/38/15/582273815.db2.gz HLJMBPOJGHGCGR-IUCAKERBSA-N 0 3 284.316 -1.545 20 0 CAADHN N[C@H](CC1CC1)C(=O)NCC(=O)NCCN1CCOCC1 ZINC000884200940 582273908 /nfs/dbraw/zinc/27/39/08/582273908.db2.gz NEVLMPZHBBPHKH-GFCCVEGCSA-N 0 3 298.387 -1.322 20 0 CAADHN COCC[C@H](N)C(=O)N(CCOC)CC(=O)OC ZINC000884311549 582274384 /nfs/dbraw/zinc/27/43/84/582274384.db2.gz FOWMJPWGSHLLLS-VIFPVBQESA-N 0 3 262.306 -1.002 20 0 CAADHN COC(=O)[C@H]1CNCCCN1C(=O)[C@H](CN)OC ZINC000884286354 582274438 /nfs/dbraw/zinc/27/44/38/582274438.db2.gz BZZSLYNMQDJCJS-BDAKNGLRSA-N 0 3 259.306 -1.676 20 0 CAADHN COCC[C@@H](N)C(=O)N1CCN(CCOC)C(=O)C1 ZINC000884330010 582274475 /nfs/dbraw/zinc/27/44/75/582274475.db2.gz ANVIWZVWDRFDQE-SNVBAGLBSA-N 0 3 273.333 -1.333 20 0 CAADHN O=C(CN1CCCCS1(=O)=O)NC[C@H]1CNCCO1 ZINC000884339057 582274596 /nfs/dbraw/zinc/27/45/96/582274596.db2.gz APEHVYVAYRAFOG-SNVBAGLBSA-N 0 3 291.373 -1.483 20 0 CAADHN O=C(CN1CCCCS1(=O)=O)NC[C@@H]1CNCCO1 ZINC000884339056 582274644 /nfs/dbraw/zinc/27/46/44/582274644.db2.gz APEHVYVAYRAFOG-JTQLQIEISA-N 0 3 291.373 -1.483 20 0 CAADHN COCC[C@H](N)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000884406259 582274782 /nfs/dbraw/zinc/27/47/82/582274782.db2.gz PLVFGRUNRUSXFP-NSHDSACASA-N 0 3 288.392 -1.171 20 0 CAADHN CO[C@@H](CN)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000884406569 582274809 /nfs/dbraw/zinc/27/48/09/582274809.db2.gz YHJRXVIZLPWYGS-JTQLQIEISA-N 0 3 274.365 -1.562 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000884430645 582274826 /nfs/dbraw/zinc/27/48/26/582274826.db2.gz XPZNYLHSWATVEP-NSHDSACASA-N 0 3 299.375 -1.871 20 0 CAADHN COCC[C@H](N)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000884409287 582274828 /nfs/dbraw/zinc/27/48/28/582274828.db2.gz FQLGVWPUVCGHSZ-ZJUUUORDSA-N 0 3 293.389 -1.158 20 0 CAADHN COCC[C@@H](N)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000884406258 582274851 /nfs/dbraw/zinc/27/48/51/582274851.db2.gz PLVFGRUNRUSXFP-LLVKDONJSA-N 0 3 288.392 -1.171 20 0 CAADHN N[C@@H](CC1CC1)C(=O)NC[C@@]12COCCN1C(=O)COC2 ZINC000884469997 582275032 /nfs/dbraw/zinc/27/50/32/582275032.db2.gz BTSYRLLQZINCAZ-FZMZJTMJSA-N 0 3 297.355 -1.142 20 0 CAADHN C[C@@H](CN1CCOCC1)NC(=O)C(=O)N1CCC[C@@H]1CN ZINC000884577382 582275500 /nfs/dbraw/zinc/27/55/00/582275500.db2.gz DOEAUYLOWLCREM-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN Cn1ccnc1CNC(=O)C(=O)N1CCC[C@@H]1CN ZINC000884629964 582275675 /nfs/dbraw/zinc/27/56/75/582275675.db2.gz ONANARGEXRPTGQ-SECBINFHSA-N 0 3 265.317 -1.014 20 0 CAADHN CN1CCN(C(=O)C(=O)NCCN)Cc2cccnc21 ZINC000884673143 582275849 /nfs/dbraw/zinc/27/58/49/582275849.db2.gz OYBPGAOEBDLEKY-UHFFFAOYSA-N 0 3 277.328 -1.065 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@H]1CCCn2nccc21 ZINC000884693115 582276191 /nfs/dbraw/zinc/27/61/91/582276191.db2.gz MKTWHJRUAKTPJU-VIFPVBQESA-N 0 3 263.301 -1.078 20 0 CAADHN CO[C@@H]1COCC[C@@H]1N(C)C(=O)C(=O)NC1CNC1 ZINC000884693125 582276201 /nfs/dbraw/zinc/27/62/01/582276201.db2.gz MRURQGNMDOZTRF-VHSXEESVSA-N 0 3 271.317 -1.663 20 0 CAADHN COC[C@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CCCOC1 ZINC000884693339 582276209 /nfs/dbraw/zinc/27/62/09/582276209.db2.gz VTRHMCLXWPHEDJ-KOLCDFICSA-N 0 3 285.344 -1.368 20 0 CAADHN COC[C@@H](NC(=O)C(=O)NC1CNC1)[C@H]1CCCOC1 ZINC000884693338 582276211 /nfs/dbraw/zinc/27/62/11/582276211.db2.gz VTRHMCLXWPHEDJ-GXSJLCMTSA-N 0 3 285.344 -1.368 20 0 CAADHN CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)NC1CNC1 ZINC000884693123 582276215 /nfs/dbraw/zinc/27/62/15/582276215.db2.gz MRURQGNMDOZTRF-NXEZZACHSA-N 0 3 271.317 -1.663 20 0 CAADHN C[C@H](NC(=O)C(=O)NC1CNC1)c1ccnn1C ZINC000884693343 582276230 /nfs/dbraw/zinc/27/62/30/582276230.db2.gz VVLKHKWYIYBGJP-ZETCQYMHSA-N 0 3 251.290 -1.315 20 0 CAADHN O=C(NC1CNC1)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000884693112 582276277 /nfs/dbraw/zinc/27/62/77/582276277.db2.gz MJKCRJHBQKFXHY-SECBINFHSA-N 0 3 280.328 -1.799 20 0 CAADHN CO[C@@H]1COCC[C@H]1N(C)C(=O)C(=O)N[C@@H](C)CN ZINC000884705404 582276426 /nfs/dbraw/zinc/27/64/26/582276426.db2.gz STYSDRKMFSAJRP-IVZWLZJFSA-N 0 3 273.333 -1.288 20 0 CAADHN CO[C@H]1COCC[C@H]1N(C)C(=O)C(=O)N[C@@H](C)CN ZINC000884705402 582276441 /nfs/dbraw/zinc/27/64/41/582276441.db2.gz STYSDRKMFSAJRP-AEJSXWLSSA-N 0 3 273.333 -1.288 20 0 CAADHN CN1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)CC1(C)C ZINC000884726285 582276537 /nfs/dbraw/zinc/27/65/37/582276537.db2.gz MYGVKTCAWAUIHI-LLVKDONJSA-N 0 3 298.387 -1.356 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000884726315 582276539 /nfs/dbraw/zinc/27/65/39/582276539.db2.gz NVFFGEVQLJPLIH-AXFHLTTASA-N 0 3 299.396 -1.088 20 0 CAADHN O=C(NC[C@H]1CNCCO1)C(=O)N1C[C@@H]2CSC[C@@H]2C1 ZINC000884726316 582276564 /nfs/dbraw/zinc/27/65/64/582276564.db2.gz NVFFGEVQLJPLIH-OUAUKWLOSA-N 0 3 299.396 -1.088 20 0 CAADHN COCCNCCNC(=O)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000884721548 582276602 /nfs/dbraw/zinc/27/66/02/582276602.db2.gz NMDGMEPJXZMUHU-TUAOUCFPSA-N 0 3 299.371 -1.432 20 0 CAADHN CN(CCN)C(=O)C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000885232169 582277125 /nfs/dbraw/zinc/27/71/25/582277125.db2.gz XFHFLDPSSJRAJR-SNVBAGLBSA-N 0 3 282.344 -1.469 20 0 CAADHN COC[C@H](NC(=O)C(=O)N(C)CCN)[C@@H]1CCCOC1 ZINC000885307391 582277168 /nfs/dbraw/zinc/27/71/68/582277168.db2.gz DYDUPZOMDOBVLZ-MNOVXSKESA-N 0 3 287.360 -1.039 20 0 CAADHN COC[C@@H](NC(=O)C(=O)N(C)CCN)[C@@H]1CCCOC1 ZINC000885307390 582277215 /nfs/dbraw/zinc/27/72/15/582277215.db2.gz DYDUPZOMDOBVLZ-GHMZBOCLSA-N 0 3 287.360 -1.039 20 0 CAADHN CC[C@H](C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)N(C)C ZINC000886178504 582278306 /nfs/dbraw/zinc/27/83/06/582278306.db2.gz YIQCQNDEZFDBMY-NXEZZACHSA-N 0 3 290.389 -1.313 20 0 CAADHN CC[C@@H](C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1)N(C)C ZINC000886178505 582278310 /nfs/dbraw/zinc/27/83/10/582278310.db2.gz YIQCQNDEZFDBMY-UWVGGRQHSA-N 0 3 290.389 -1.313 20 0 CAADHN CC[C@@H](C(=O)N1CCN2[C@H](CNS2(=O)=O)C1)N(C)C ZINC000886178507 582278356 /nfs/dbraw/zinc/27/83/56/582278356.db2.gz YIQCQNDEZFDBMY-ZJUUUORDSA-N 0 3 290.389 -1.313 20 0 CAADHN CCCN(C)CC(=O)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886189702 582278631 /nfs/dbraw/zinc/27/86/31/582278631.db2.gz RYUGXHBENPPARO-SNVBAGLBSA-N 0 3 290.389 -1.311 20 0 CAADHN COC[C@H](NCC(=O)N1CCNC(=O)C1)[C@@H]1CCCOC1 ZINC000886905961 582279298 /nfs/dbraw/zinc/27/92/98/582279298.db2.gz PIFCZNJHMBIJSN-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN CN(CCCF)C(=O)C(=O)N1CCN(C)C[C@H]1CN ZINC000887061395 582280177 /nfs/dbraw/zinc/28/01/77/582280177.db2.gz VFYIYOSNFDXKSS-SNVBAGLBSA-N 0 3 274.340 -1.094 20 0 CAADHN NC[C@H]1CCCN1C(=O)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000887088209 582280715 /nfs/dbraw/zinc/28/07/15/582280715.db2.gz YFZVVTWEAVCQAX-VXGBXAGGSA-N 0 3 296.371 -1.521 20 0 CAADHN CN(CCN1CCOCC1)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000887086238 582280725 /nfs/dbraw/zinc/28/07/25/582280725.db2.gz AOJGKQSEAHCDFW-GFCCVEGCSA-N 0 3 298.387 -1.273 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)N[C@]2(C)CCNC2=O)CC1=O ZINC000889038500 582280787 /nfs/dbraw/zinc/28/07/87/582280787.db2.gz KDSMCYQCEFRFIU-IINYFYTJSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN)CCO1 ZINC000887089790 582280798 /nfs/dbraw/zinc/28/07/98/582280798.db2.gz UCPFITDLMLXCDQ-MXWKQRLJSA-N 0 3 285.344 -1.456 20 0 CAADHN CN(C)C(=O)NCCN(C)C(=O)C(=O)N1CCC[C@@H]1CN ZINC000887088112 582280812 /nfs/dbraw/zinc/28/08/12/582280812.db2.gz QDLFMYHQPBHPMT-SNVBAGLBSA-N 0 3 299.375 -1.334 20 0 CAADHN CN1CCN(C)CC(C(=O)N[C@]2(C)CCNC2=O)C1 ZINC000889024694 582281243 /nfs/dbraw/zinc/28/12/43/582281243.db2.gz HTQWLACYGMRFCA-CYBMUJFWSA-N 0 3 268.361 -1.125 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000889783765 582281435 /nfs/dbraw/zinc/28/14/35/582281435.db2.gz XHYKYKDGHLVFAC-QWRGUYRKSA-N 0 3 280.332 -1.269 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000889763930 582281448 /nfs/dbraw/zinc/28/14/48/582281448.db2.gz PCSBQTLTNWRPPE-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN Cn1nnnc1CCCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000890091999 582281634 /nfs/dbraw/zinc/28/16/34/582281634.db2.gz VRHWRKOHDIAAAA-NSHDSACASA-N 0 3 293.375 -1.351 20 0 CAADHN COc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)nn1 ZINC000958571350 617229693 /nfs/dbraw/zinc/22/96/93/617229693.db2.gz VQZALRAPPLHTQJ-MWLCHTKSSA-N 0 3 296.327 -1.500 20 0 CAADHN COc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)nn1 ZINC000958571351 617230469 /nfs/dbraw/zinc/23/04/69/617230469.db2.gz VQZALRAPPLHTQJ-ONGXEEELSA-N 0 3 296.327 -1.500 20 0 CAADHN CC(=O)N1CC[C@@H](NCC(=O)N2CCN(C(C)=O)CC2)C1 ZINC000965965180 613408580 /nfs/dbraw/zinc/40/85/80/613408580.db2.gz LGGNOPRZRUDCAQ-CYBMUJFWSA-N 0 3 296.371 -1.113 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962621421 613427206 /nfs/dbraw/zinc/42/72/06/613427206.db2.gz YCAYUQUWPVQLNK-QNWHQSFQSA-N 0 3 297.355 -1.728 20 0 CAADHN CC(=O)N1CC[C@@H](NCC(=O)N2CCC(C(N)=O)CC2)C1 ZINC000965982115 613473746 /nfs/dbraw/zinc/47/37/46/613473746.db2.gz VVHVBAOAVVXWST-GFCCVEGCSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)N1CC[C@@H](NCc2cc(=O)n(C)c(=O)n2C)C1 ZINC000965965017 613474540 /nfs/dbraw/zinc/47/45/40/613474540.db2.gz ARJWUUAKXGMEBH-SNVBAGLBSA-N 0 3 280.328 -1.206 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)C1 ZINC000968508849 613759198 /nfs/dbraw/zinc/75/91/98/613759198.db2.gz WDYVMONIURCOKR-VXGBXAGGSA-N 0 3 294.355 -1.456 20 0 CAADHN CC(=O)N1CC(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)C1 ZINC000958014751 613761145 /nfs/dbraw/zinc/76/11/45/613761145.db2.gz IWDBBDRIYTVGCZ-JQWIXIFHSA-N 0 3 285.344 -2.134 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1 ZINC000958699474 613763552 /nfs/dbraw/zinc/76/35/52/613763552.db2.gz WBKPKJPJPJYPLU-GDNZZTSVSA-N 0 3 267.329 -1.497 20 0 CAADHN CC(=O)NC[C@@H]1CN(CCn2cncn2)C[C@H]1O ZINC000957789865 613796193 /nfs/dbraw/zinc/79/61/93/613796193.db2.gz ZUWXVCCOAQSJJY-GHMZBOCLSA-N 0 3 253.306 -1.293 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970824276 613854625 /nfs/dbraw/zinc/85/46/25/613854625.db2.gz MJKIUKVXYLWGSA-GHMZBOCLSA-N 0 3 282.344 -1.327 20 0 CAADHN CC(=O)NC[C@H]1CN(CCn2cncn2)C[C@@H]1O ZINC000957789867 613929084 /nfs/dbraw/zinc/92/90/84/613929084.db2.gz ZUWXVCCOAQSJJY-QWRGUYRKSA-N 0 3 253.306 -1.293 20 0 CAADHN CC(C)[C@@H](C(=O)N1CC(N(C)C(=O)C(N)=O)C1)N(C)C ZINC000955158611 614072723 /nfs/dbraw/zinc/07/27/23/614072723.db2.gz PIOXPZSPCHXQSI-JTQLQIEISA-N 0 3 284.360 -1.273 20 0 CAADHN CC(=O)N[C@@H]1[C@H]2CN(C[C@@H](O)CN3C(=O)CCC3=O)C[C@H]21 ZINC000957994963 614185350 /nfs/dbraw/zinc/18/53/50/614185350.db2.gz ADKYQVGGZSBLDX-PUHVVEEASA-N 0 3 295.339 -1.437 20 0 CAADHN CC(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)N(C)C ZINC000977084386 614189501 /nfs/dbraw/zinc/18/95/01/614189501.db2.gz ROMLPEFSLGRAID-VPOLOUISSA-N 0 3 296.371 -1.369 20 0 CAADHN CC(C)(C(=O)N1CC[C@@H](NCC(N)=O)C1)N1CCOCC1 ZINC000970273587 614293243 /nfs/dbraw/zinc/29/32/43/614293243.db2.gz SHHJZBJRYBQDMC-LLVKDONJSA-N 0 3 298.387 -1.227 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000968987222 614309883 /nfs/dbraw/zinc/30/98/83/614309883.db2.gz ZIUSXCDVIZGSOB-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000968986375 614310865 /nfs/dbraw/zinc/31/08/65/614310865.db2.gz IQZSOCJIBIPXGA-RKDXNWHRSA-N 0 3 282.344 -1.423 20 0 CAADHN CC(C)c1nnnn1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970207601 614338268 /nfs/dbraw/zinc/33/82/68/614338268.db2.gz FIVGBIFBAPFWIY-SECBINFHSA-N 0 3 295.347 -1.528 20 0 CAADHN CC(C)c1nnnn1CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000961988098 614338935 /nfs/dbraw/zinc/33/89/35/614338935.db2.gz UJGGYODXMQAYTB-IAZYJMLFSA-N 0 3 294.359 -1.165 20 0 CAADHN CC(C)n1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)nn1 ZINC000958549586 614353180 /nfs/dbraw/zinc/35/31/80/614353180.db2.gz ZKOLUDNWLNOIPA-ZYHUDNBSSA-N 0 3 297.359 -1.126 20 0 CAADHN CC(C)N1CCO[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000969704808 614363901 /nfs/dbraw/zinc/36/39/01/614363901.db2.gz GPHOFGXMALNLEX-VXGBXAGGSA-N 0 3 298.387 -1.229 20 0 CAADHN CC(C)N1CCO[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000969704807 614365736 /nfs/dbraw/zinc/36/57/36/614365736.db2.gz GPHOFGXMALNLEX-NEPJUHHUSA-N 0 3 298.387 -1.229 20 0 CAADHN CC(C)N1C[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1=O ZINC000968839391 614390455 /nfs/dbraw/zinc/39/04/55/614390455.db2.gz RGWSXFIDRHACDQ-WDEREUQCSA-N 0 3 296.371 -1.081 20 0 CAADHN CCCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)nn1 ZINC000970362311 614514650 /nfs/dbraw/zinc/51/46/50/614514650.db2.gz QFBQWWFMZUCQHZ-SECBINFHSA-N 0 3 280.332 -1.023 20 0 CAADHN CCN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C(N)=O)C1 ZINC000967842205 614619654 /nfs/dbraw/zinc/61/96/54/614619654.db2.gz XKKWOMOOVJUWOK-JTQLQIEISA-N 0 3 282.344 -1.375 20 0 CAADHN CCC(=O)N1CC[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000970425655 614623772 /nfs/dbraw/zinc/62/37/72/614623772.db2.gz MZYTXVJURVNXLM-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CC1(C)CN(CCCO)C[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC000974993869 614640454 /nfs/dbraw/zinc/64/04/54/614640454.db2.gz JHMTVCWMEPEPNE-ZJUUUORDSA-N 0 3 284.360 -1.123 20 0 CAADHN CC1(C)CN(CCCO)C[C@H]1NC(=O)Cn1cnnn1 ZINC000972794228 614642492 /nfs/dbraw/zinc/64/24/92/614642492.db2.gz NJWFFOFPNCUPCS-SNVBAGLBSA-N 0 3 282.348 -1.118 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)CN1CCOCC1=O ZINC000974672511 614660539 /nfs/dbraw/zinc/66/05/39/614660539.db2.gz IENWAPBNDKQJNP-NSHDSACASA-N 0 3 299.371 -1.336 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC000974674003 614660672 /nfs/dbraw/zinc/66/06/72/614660672.db2.gz GMLAHXQIVRXBDF-IUCAKERBSA-N 0 3 298.343 -1.597 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)CN1C(=O)CCC1=O ZINC000977572170 614660787 /nfs/dbraw/zinc/66/07/87/614660787.db2.gz JOPIHBJGYJBJRO-JTQLQIEISA-N 0 3 297.355 -1.046 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000974910731 614660850 /nfs/dbraw/zinc/66/08/50/614660850.db2.gz IIQCMGOSGPOFGQ-NSHDSACASA-N 0 3 298.387 -1.763 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC000977686309 614660867 /nfs/dbraw/zinc/66/08/67/614660867.db2.gz VKJTVXPNEUWRLF-ZJUUUORDSA-N 0 3 297.355 -1.142 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC000977686288 614660876 /nfs/dbraw/zinc/66/08/76/614660876.db2.gz VKJTVXPNEUWRLF-UWVGGRQHSA-N 0 3 297.355 -1.142 20 0 CAADHN CC1(C)CN(CCO)C[C@@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000975102174 614661991 /nfs/dbraw/zinc/66/19/91/614661991.db2.gz JKIKHDQKMNKWGY-IUCAKERBSA-N 0 3 298.343 -1.597 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000977579529 614665300 /nfs/dbraw/zinc/66/53/00/614665300.db2.gz SJIVFKINKYDSRG-SECBINFHSA-N 0 3 298.343 -1.643 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC000975102169 614665464 /nfs/dbraw/zinc/66/54/64/614665464.db2.gz JKIKHDQKMNKWGY-DTWKUNHWSA-N 0 3 298.343 -1.597 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000977361082 614665595 /nfs/dbraw/zinc/66/55/95/614665595.db2.gz IDFPZINKLPONEQ-SECBINFHSA-N 0 3 298.343 -1.643 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)[C@@H]1CCNC1=O ZINC000974907376 614665943 /nfs/dbraw/zinc/66/59/43/614665943.db2.gz YYCKOADRSSOENN-NXEZZACHSA-N 0 3 269.345 -1.059 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000974491110 614666358 /nfs/dbraw/zinc/66/63/58/614666358.db2.gz LILKZUKCSBECSK-DTWKUNHWSA-N 0 3 271.317 -1.086 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000974491116 614666561 /nfs/dbraw/zinc/66/65/61/614666561.db2.gz LILKZUKCSBECSK-RKDXNWHRSA-N 0 3 271.317 -1.086 20 0 CAADHN CC1(C)CN(CCO)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC000974993854 614666597 /nfs/dbraw/zinc/66/65/97/614666597.db2.gz JFJKUIGUZBBTKK-DTWKUNHWSA-N 0 3 270.333 -1.513 20 0 CAADHN CC1(C)CN(CCn2cncn2)CC[C@H]1NC(=O)C(N)=O ZINC000940997221 614669570 /nfs/dbraw/zinc/66/95/70/614669570.db2.gz QVURRLADDVRRNB-SNVBAGLBSA-N 0 3 294.359 -1.020 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000960684750 615168000 /nfs/dbraw/zinc/16/80/00/615168000.db2.gz RAGGZQWEZUDJIT-QNWHQSFQSA-N 0 3 283.372 -1.254 20 0 CAADHN CC[C@@H](C(=O)N1CCCN(C(=O)C(N)=O)CC1)N(C)C ZINC000941683582 615369518 /nfs/dbraw/zinc/36/95/18/615369518.db2.gz SKQPIDOZLJEVHB-JTQLQIEISA-N 0 3 284.360 -1.127 20 0 CAADHN CC[C@@H](C(=O)N1CCC[C@@H](NC(=O)C(N)=O)C1)N(C)C ZINC000951425473 615370524 /nfs/dbraw/zinc/37/05/24/615370524.db2.gz AXLBFSPRIHVDHV-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](C(=O)N1CCC[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC000951425472 615371424 /nfs/dbraw/zinc/37/14/24/615371424.db2.gz AXLBFSPRIHVDHV-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@@H](C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1)N(C)C ZINC000970196008 615378856 /nfs/dbraw/zinc/37/88/56/615378856.db2.gz PBGBXECLPGBRHP-VGMNWLOBSA-N 0 3 286.332 -2.500 20 0 CAADHN CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)N(C)C ZINC000977078166 615379527 /nfs/dbraw/zinc/37/95/27/615379527.db2.gz CDQINZALNNOKRR-QCLAVDOMSA-N 0 3 282.344 -1.615 20 0 CAADHN CCN1C[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1=O ZINC000968842319 615388890 /nfs/dbraw/zinc/38/88/90/615388890.db2.gz KGVXKMZZZWFKAI-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CCOc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)[nH]n1 ZINC000958167797 615505564 /nfs/dbraw/zinc/50/55/64/615505564.db2.gz PTFPFDHRACVWBE-KOLCDFICSA-N 0 3 298.343 -1.177 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)C(N)=O ZINC000968986387 615537564 /nfs/dbraw/zinc/53/75/64/615537564.db2.gz JBYZUSNYXMIEBE-RKDXNWHRSA-N 0 3 284.360 -1.048 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)Cn2cncn2)C1)C(N)=O ZINC000970660293 615537817 /nfs/dbraw/zinc/53/78/17/615537817.db2.gz HAFRZDFMFWMOBG-NXEZZACHSA-N 0 3 280.332 -1.268 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1)C(N)=O ZINC000967448787 615537880 /nfs/dbraw/zinc/53/78/80/615537880.db2.gz CSTFSAKXUFWFLE-RKDXNWHRSA-N 0 3 291.373 -1.515 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CCn2cnnn2)C1)C(N)=O ZINC000970325910 615538022 /nfs/dbraw/zinc/53/80/22/615538022.db2.gz QREWVYAMDPSZCT-NXEZZACHSA-N 0 3 295.347 -1.482 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)C(N)=O ZINC000969750131 615538457 /nfs/dbraw/zinc/53/84/57/615538457.db2.gz DQCQPJUCHOPPDB-RKDXNWHRSA-N 0 3 293.327 -1.162 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)c2cn(C)nn2)C1)C(N)=O ZINC000968572331 615538581 /nfs/dbraw/zinc/53/85/81/615538581.db2.gz PMVVUSODNORIBK-RKDXNWHRSA-N 0 3 280.332 -1.117 20 0 CAADHN CC[C@H](C(=O)N1CC[C@@H](N(C)C(=O)C(N)=O)C1)N(C)C ZINC000938768119 615602325 /nfs/dbraw/zinc/60/23/25/615602325.db2.gz AWJUTXDJXUWCDJ-NXEZZACHSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@H](C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1)N(C)C ZINC000970196007 615604816 /nfs/dbraw/zinc/60/48/16/615604816.db2.gz PBGBXECLPGBRHP-HLTSFMKQSA-N 0 3 286.332 -2.500 20 0 CAADHN CCn1cnc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)c1 ZINC000958594799 615622125 /nfs/dbraw/zinc/62/21/25/615622125.db2.gz MBMOLYUVOKIYBB-ZYHUDNBSSA-N 0 3 282.344 -1.082 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962079566 615623027 /nfs/dbraw/zinc/62/30/27/615623027.db2.gz CFQOHZYZAVNVOJ-XAVMHZPKSA-N 0 3 278.316 -1.271 20 0 CAADHN CCc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n(C)n1 ZINC000958502885 615625069 /nfs/dbraw/zinc/62/50/69/615625069.db2.gz MCOVUZJWGWMBIL-MFKMUULPSA-N 0 3 296.371 -1.003 20 0 CAADHN CCc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)[nH]n1 ZINC000957894642 615625442 /nfs/dbraw/zinc/62/54/42/615625442.db2.gz MZRVGAQBKDEOKU-BXKDBHETSA-N 0 3 282.344 -1.013 20 0 CAADHN CCc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)nn1C ZINC000958758489 615626413 /nfs/dbraw/zinc/62/64/13/615626413.db2.gz HTWSRUYMXMWKID-GWCFXTLKSA-N 0 3 296.371 -1.003 20 0 CAADHN CCc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n(C)n1 ZINC000958502884 615626487 /nfs/dbraw/zinc/62/64/87/615626487.db2.gz MCOVUZJWGWMBIL-GXFFZTMASA-N 0 3 296.371 -1.003 20 0 CAADHN CCc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)nn1C ZINC000958758490 615626528 /nfs/dbraw/zinc/62/65/28/615626528.db2.gz HTWSRUYMXMWKID-GXFFZTMASA-N 0 3 296.371 -1.003 20 0 CAADHN CCc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)[nH]n1 ZINC000957894645 615626545 /nfs/dbraw/zinc/62/65/45/615626545.db2.gz MZRVGAQBKDEOKU-JOYOIKCWSA-N 0 3 282.344 -1.013 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958744927 615645254 /nfs/dbraw/zinc/64/52/54/615645254.db2.gz XFIUJYQXZGAOIZ-GHMZBOCLSA-N 0 3 297.359 -1.379 20 0 CAADHN CCn1nc(C)c(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958744930 615645371 /nfs/dbraw/zinc/64/53/71/615645371.db2.gz XFIUJYQXZGAOIZ-WDEREUQCSA-N 0 3 297.359 -1.379 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)n1 ZINC000968586618 615681322 /nfs/dbraw/zinc/68/13/22/615681322.db2.gz SGEWPAMTHVKUKD-NXEZZACHSA-N 0 3 292.343 -1.009 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@@H](N[C@@H](C)C(N)=O)C2)n1 ZINC000968586811 615681521 /nfs/dbraw/zinc/68/15/21/615681521.db2.gz XOULNHKWLSYCGE-DTWKUNHWSA-N 0 3 280.332 -1.024 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958046983 615685749 /nfs/dbraw/zinc/68/57/49/615685749.db2.gz NGTBGLLTJCKZGH-KOLCDFICSA-N 0 3 283.332 -1.687 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H]2CN(CCOC)C[C@H]2O)n1 ZINC000958046717 615685983 /nfs/dbraw/zinc/68/59/83/615685983.db2.gz KTOBMKAKLQRRHG-ZYHUDNBSSA-N 0 3 297.359 -1.033 20 0 CAADHN CCn1ncc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958046982 615686424 /nfs/dbraw/zinc/68/64/24/615686424.db2.gz NGTBGLLTJCKZGH-GXSJLCMTSA-N 0 3 283.332 -1.687 20 0 CAADHN CCn1nnc(C)c1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958129931 615740599 /nfs/dbraw/zinc/74/05/99/615740599.db2.gz AYXZPKCXQYMOHX-MNOVXSKESA-N 0 3 297.359 -1.379 20 0 CAADHN CCn1nnc(C)c1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958129933 615741113 /nfs/dbraw/zinc/74/11/13/615741113.db2.gz AYXZPKCXQYMOHX-QWRGUYRKSA-N 0 3 297.359 -1.379 20 0 CAADHN CCn1nnc(C)c1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958129934 615741226 /nfs/dbraw/zinc/74/12/26/615741226.db2.gz AYXZPKCXQYMOHX-WDEREUQCSA-N 0 3 297.359 -1.379 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000968589610 615746215 /nfs/dbraw/zinc/74/62/15/615746215.db2.gz AMUTXCQTQRZOJG-ZJUUUORDSA-N 0 3 292.343 -1.009 20 0 CAADHN CCn1nncc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958051601 615748221 /nfs/dbraw/zinc/74/82/21/615748221.db2.gz RGUCFYBCSGPWIN-MWLCHTKSSA-N 0 3 283.332 -1.687 20 0 CAADHN CCc1nc[nH]c1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958631716 615766047 /nfs/dbraw/zinc/76/60/47/615766047.db2.gz VLYWQHOZVJEVMV-MWLCHTKSSA-N 0 3 282.344 -1.013 20 0 CAADHN CCc1nn(C)cc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958163823 615795645 /nfs/dbraw/zinc/79/56/45/615795645.db2.gz GBSKPCKXVJHGSN-ZWNOBZJWSA-N 0 3 296.371 -1.003 20 0 CAADHN CCc1nn(C)cc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958163821 615795653 /nfs/dbraw/zinc/79/56/53/615795653.db2.gz GBSKPCKXVJHGSN-GXFFZTMASA-N 0 3 296.371 -1.003 20 0 CAADHN CCc1nn(C)cc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958163822 615795732 /nfs/dbraw/zinc/79/57/32/615795732.db2.gz GBSKPCKXVJHGSN-MFKMUULPSA-N 0 3 296.371 -1.003 20 0 CAADHN CN(C(=O)CN1CCC(C)(C)C1)C1CN(C(=O)C(N)=O)C1 ZINC000955347387 615814027 /nfs/dbraw/zinc/81/40/27/615814027.db2.gz RIHZONCKVIEUIU-UHFFFAOYSA-N 0 3 296.371 -1.127 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CC(N)=O)C1)C(N)=O ZINC000968123996 615821959 /nfs/dbraw/zinc/82/19/59/615821959.db2.gz NWOKVLIAVOPDMU-SFYZADRCSA-N 0 3 256.306 -1.684 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)C(N)=O ZINC000969750130 615822429 /nfs/dbraw/zinc/82/24/29/615822429.db2.gz DQCQPJUCHOPPDB-BDAKNGLRSA-N 0 3 293.327 -1.162 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)Cn2nccn2)C1)C(N)=O ZINC000968801981 615822519 /nfs/dbraw/zinc/82/25/19/615822519.db2.gz BHCCVPWGZGBESO-ZJUUUORDSA-N 0 3 280.332 -1.268 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)c2cnnn2C)C1)C(N)=O ZINC000968553002 615823019 /nfs/dbraw/zinc/82/30/19/615823019.db2.gz LQVNFAHJANJMCP-BDAKNGLRSA-N 0 3 280.332 -1.117 20 0 CAADHN CN(C)C1(C(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)CCC1 ZINC000970202724 615841421 /nfs/dbraw/zinc/84/14/21/615841421.db2.gz RCTQZLQPRLXKOX-BDAKNGLRSA-N 0 3 298.343 -2.356 20 0 CAADHN CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C(N)=O)C1 ZINC000953902926 615855611 /nfs/dbraw/zinc/85/56/11/615855611.db2.gz MMMVOFLQMOFOBO-VIFPVBQESA-N 0 3 268.317 -1.765 20 0 CAADHN CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)C(N)=O)C1 ZINC000953902925 615881725 /nfs/dbraw/zinc/88/17/25/615881725.db2.gz MMMVOFLQMOFOBO-SECBINFHSA-N 0 3 268.317 -1.765 20 0 CAADHN CCn1cc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)nn1 ZINC000970362008 615940373 /nfs/dbraw/zinc/94/03/73/615940373.db2.gz MFAFXHKAHFTUKB-NXEZZACHSA-N 0 3 292.343 -1.009 20 0 CAADHN CCn1cc(C(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)nn1 ZINC000970360708 615940418 /nfs/dbraw/zinc/94/04/18/615940418.db2.gz TVECJNNFLQGTBZ-RKDXNWHRSA-N 0 3 280.332 -1.024 20 0 CAADHN CCn1cc(C(=O)NC[C@@H]2CN(CCOC)C[C@H]2O)nn1 ZINC000958549494 615948088 /nfs/dbraw/zinc/94/80/88/615948088.db2.gz XTVXBWRRIFHRLQ-ZYHUDNBSSA-N 0 3 297.359 -1.033 20 0 CAADHN CCn1cc(C(=O)NC[C@@H]2CN(CCOC)C[C@@H]2O)nn1 ZINC000958549493 615948257 /nfs/dbraw/zinc/94/82/57/615948257.db2.gz XTVXBWRRIFHRLQ-PWSUYJOCSA-N 0 3 297.359 -1.033 20 0 CAADHN CN(C)[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)C(N)=O)C1)C1CC1 ZINC000938683363 615972362 /nfs/dbraw/zinc/97/23/62/615972362.db2.gz KDNODOZLXXYXBM-GHMZBOCLSA-N 0 3 296.371 -1.129 20 0 CAADHN CN(C)[C@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)C1)C1CC1 ZINC000938586238 615988241 /nfs/dbraw/zinc/98/82/41/615988241.db2.gz MUJJLKZLCBGPCE-UWVGGRQHSA-N 0 3 282.344 -1.471 20 0 CAADHN CN(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)C1CC1 ZINC000977093074 615988245 /nfs/dbraw/zinc/98/82/45/615988245.db2.gz QAVQFAGJMHKYSS-ZDCRXTMVSA-N 0 3 294.355 -1.615 20 0 CAADHN CN(C)[C@H](C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1)C1CC1 ZINC000970201829 615988249 /nfs/dbraw/zinc/98/82/49/615988249.db2.gz HDMVWCYAFHGZPM-UTLUCORTSA-N 0 3 298.343 -2.500 20 0 CAADHN CN(C)c1ccc(C(=O)N2CC[C@@H](NCC(N)=O)C2)nn1 ZINC000970503360 616012445 /nfs/dbraw/zinc/01/24/45/616012445.db2.gz LOJJCIIEACIAQE-SECBINFHSA-N 0 3 292.343 -1.168 20 0 CAADHN CCn1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958462778 616019971 /nfs/dbraw/zinc/01/99/71/616019971.db2.gz GPZGCQGTGAETEJ-PWSUYJOCSA-N 0 3 282.344 -1.082 20 0 CAADHN CCn1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958462776 616020340 /nfs/dbraw/zinc/02/03/40/616020340.db2.gz GPZGCQGTGAETEJ-CMPLNLGQSA-N 0 3 282.344 -1.082 20 0 CAADHN CCn1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958462777 616020368 /nfs/dbraw/zinc/02/03/68/616020368.db2.gz GPZGCQGTGAETEJ-JQWIXIFHSA-N 0 3 282.344 -1.082 20 0 CAADHN CN(CC(=O)N1CC[C@H](NC(=O)C(N)=O)C1)C1CCC1 ZINC000938585411 616045410 /nfs/dbraw/zinc/04/54/10/616045410.db2.gz IVJGXLDDDZYMKR-VIFPVBQESA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1)C1CCC1 ZINC000970207893 616045539 /nfs/dbraw/zinc/04/55/39/616045539.db2.gz CPNJUBOQAUOGCS-ZJUUUORDSA-N 0 3 298.343 -2.356 20 0 CAADHN CN(CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O)C1CCC1 ZINC000977090281 616045641 /nfs/dbraw/zinc/04/56/41/616045641.db2.gz QURHHEKGHYVYDA-IAZYJMLFSA-N 0 3 294.355 -1.471 20 0 CAADHN CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC000971239187 616087591 /nfs/dbraw/zinc/08/75/91/616087591.db2.gz NJSDUCKNOWCXQO-SNVBAGLBSA-N 0 3 297.359 -1.580 20 0 CAADHN C[N@H+]([C@@H]1CCN(C(=O)Cc2nnc[n-]2)C1)[C@@H]1CCNC1=O ZINC000972692689 616114775 /nfs/dbraw/zinc/11/47/75/616114775.db2.gz GMCBPRVDXCVOLA-NXEZZACHSA-N 0 3 292.343 -1.232 20 0 CAADHN C[N@@H+]([C@@H]1CCN(C(=O)Cc2nnc[n-]2)C1)[C@@H]1CCNC1=O ZINC000972692689 616114776 /nfs/dbraw/zinc/11/47/76/616114776.db2.gz GMCBPRVDXCVOLA-NXEZZACHSA-N 0 3 292.343 -1.232 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970602743 616124557 /nfs/dbraw/zinc/12/45/57/616124557.db2.gz IDLDVWLUEDLVJU-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CCc1cnn(C)c1)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC000972211147 616126818 /nfs/dbraw/zinc/12/68/18/616126818.db2.gz DDOMEYRNOHKTSZ-NSHDSACASA-N 0 3 279.344 -1.019 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000969681684 616127734 /nfs/dbraw/zinc/12/77/34/616127734.db2.gz IGZNPYOGDWUAIE-OUAUKWLOSA-N 0 3 294.355 -1.314 20 0 CAADHN CN(CCn1cccn1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972214131 616128095 /nfs/dbraw/zinc/12/80/95/616128095.db2.gz BKANNXAZWBQUNE-SNVBAGLBSA-N 0 3 265.317 -1.099 20 0 CAADHN CN1C(=O)CC[C@@H]1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969554150 616130280 /nfs/dbraw/zinc/13/02/80/616130280.db2.gz CBCYMSLWMYIKAP-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1C(=O)CN(CC(=O)N2CC[C@@H](NCC(N)=O)C2)C1=O ZINC000970470810 616134527 /nfs/dbraw/zinc/13/45/27/616134527.db2.gz WFVYPUKVZOKSTP-MRVPVSSYSA-N 0 3 297.315 -2.444 20 0 CAADHN CN(C[C@@H]1CCc2ncnn21)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972216639 616145497 /nfs/dbraw/zinc/14/54/97/616145497.db2.gz PPRJQEJYTLQCFW-ZJUUUORDSA-N 0 3 292.343 -1.217 20 0 CAADHN CN1CCCC[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1=O ZINC000970467126 616178179 /nfs/dbraw/zinc/17/81/79/616178179.db2.gz BNZFAWLIZJKHNF-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCC(NC(=O)C(N)=O)CC1 ZINC000945400096 616191531 /nfs/dbraw/zinc/19/15/31/616191531.db2.gz XFCJQCFLVZEWIU-SNVBAGLBSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000942305129 616191898 /nfs/dbraw/zinc/19/18/98/616191898.db2.gz QLZCNCWEKJQDTP-RKDXNWHRSA-N 0 3 268.317 -1.717 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@@H](NCc2nnnn2C)C1 ZINC000967925891 616192232 /nfs/dbraw/zinc/19/22/32/616192232.db2.gz UEHSEWWXEUUBKU-GHMZBOCLSA-N 0 3 293.375 -1.005 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(N)=O ZINC000977079321 616192793 /nfs/dbraw/zinc/19/27/93/616192793.db2.gz JPGDJTYPTSDFMK-RGOKHQFPSA-N 0 3 280.328 -1.861 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC000977918604 616193708 /nfs/dbraw/zinc/19/37/08/616193708.db2.gz JGZXUWJYCRUNLQ-WISYIIOYSA-N 0 3 280.372 -1.140 20 0 CAADHN CN1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CC(N)=O)C[C@H]21 ZINC000958414993 616195137 /nfs/dbraw/zinc/19/51/37/616195137.db2.gz NNVYKZKKYFLCGN-KLBPJQLPSA-N 0 3 266.345 -1.388 20 0 CAADHN CN(C(=O)C(N)=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000936910427 616209510 /nfs/dbraw/zinc/20/95/10/616209510.db2.gz IWGYSYSRGSIMAC-ZJUUUORDSA-N 0 3 282.344 -1.375 20 0 CAADHN CN1CCN(CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC1=O ZINC000960627898 616239979 /nfs/dbraw/zinc/23/99/79/616239979.db2.gz DSJKXAUEUGLPTB-YABSGUDNSA-N 0 3 296.371 -2.201 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968462797 616248221 /nfs/dbraw/zinc/24/82/21/616248221.db2.gz SKXOCDPOVXASMD-NXEZZACHSA-N 0 3 270.333 -2.007 20 0 CAADHN CN1CC[C@@H](CC(=O)N2CC[C@@H](NCC(N)=O)C2)C1=O ZINC000969013035 616269068 /nfs/dbraw/zinc/26/90/68/616269068.db2.gz CVUICVNGYOAOQQ-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)NC1=O ZINC000961472918 616278954 /nfs/dbraw/zinc/27/89/54/616278954.db2.gz XJQSHRXHYHWZPY-QCLAVDOMSA-N 0 3 268.317 -1.951 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC1=O ZINC000960187434 616279049 /nfs/dbraw/zinc/27/90/49/616279049.db2.gz XCQLOIKNNJZBPF-UXCLJVHYSA-N 0 3 267.329 -1.497 20 0 CAADHN CN1CC[C@@H](NC[C@@H]2CCCCN2C(=O)C(N)=O)C1=O ZINC000960110305 616279517 /nfs/dbraw/zinc/27/95/17/616279517.db2.gz OUASOYLQZYPUBQ-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CC[C@@H](NCC2(O)CCN(C(=O)C(N)=O)CC2)C1=O ZINC000946924103 616279846 /nfs/dbraw/zinc/27/98/46/616279846.db2.gz BUTLLIXUWUIXOB-SECBINFHSA-N 0 3 298.343 -2.355 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCN(C(=O)[C@@H]3CCC(=O)N3)C2)C1=O ZINC000970524307 616281142 /nfs/dbraw/zinc/28/11/42/616281142.db2.gz MIKOMKPLMCMFJD-OUAUKWLOSA-N 0 3 294.355 -1.314 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC000968124474 616281611 /nfs/dbraw/zinc/28/16/11/616281611.db2.gz OCUSSPLRGXQTIO-RKDXNWHRSA-N 0 3 268.317 -1.717 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)C1=O ZINC000968989651 616281653 /nfs/dbraw/zinc/28/16/53/616281653.db2.gz JWRHGEORHLJUKA-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](N[C@@H]3CCN(C)C3=O)C2)n1 ZINC000970257140 616282466 /nfs/dbraw/zinc/28/24/66/616282466.db2.gz DRDIFGHTGZUWEJ-NXEZZACHSA-N 0 3 292.343 -1.150 20 0 CAADHN COCCN1CC([C@@H](C)NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC000970504935 616313558 /nfs/dbraw/zinc/31/35/58/616313558.db2.gz XLWYKLNGPWFMHI-SCZZXKLOSA-N 0 3 298.343 -1.333 20 0 CAADHN COCCN1CC([C@H](C)NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000970355857 616321199 /nfs/dbraw/zinc/32/11/99/616321199.db2.gz AVJPEJGHPSAUJV-WCBMZHEXSA-N 0 3 270.333 -1.249 20 0 CAADHN CN1CC[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)C1=O ZINC000969645033 616363339 /nfs/dbraw/zinc/36/33/39/616363339.db2.gz TVOSIWFPRWGCNL-BDAKNGLRSA-N 0 3 268.317 -1.860 20 0 CAADHN CN1C[C@H](C(=O)N2CCCN(CCCO)CC2)NC1=O ZINC000981750945 616400903 /nfs/dbraw/zinc/40/09/03/616400903.db2.gz LDHNMQCHFVGSKN-LLVKDONJSA-N 0 3 284.360 -1.073 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)NC1=O ZINC000969585843 616403580 /nfs/dbraw/zinc/40/35/80/616403580.db2.gz BQPWGFQHPIQAEJ-HTQZYQBOSA-N 0 3 269.305 -2.314 20 0 CAADHN CN1CC[C@H](NCC2(O)CCN(C(=O)C(N)=O)CC2)C1=O ZINC000946924104 616414746 /nfs/dbraw/zinc/41/47/46/616414746.db2.gz BUTLLIXUWUIXOB-VIFPVBQESA-N 0 3 298.343 -2.355 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)NC1=O ZINC000961472920 616419866 /nfs/dbraw/zinc/41/98/66/616419866.db2.gz XJQSHRXHYHWZPY-RGOKHQFPSA-N 0 3 268.317 -1.951 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCC1=O ZINC000962819764 616420033 /nfs/dbraw/zinc/42/00/33/616420033.db2.gz JZZSWXPPVWQECA-DCQANWLSSA-N 0 3 281.356 -1.107 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC000957999832 616442249 /nfs/dbraw/zinc/44/22/49/616442249.db2.gz NZMQCDKOYHKOJK-VHSXEESVSA-N 0 3 299.327 -1.353 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958354584 616442806 /nfs/dbraw/zinc/44/28/06/616442806.db2.gz INKFBLYVCPTEIY-GXSJLCMTSA-N 0 3 296.327 -1.561 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000957918685 616443893 /nfs/dbraw/zinc/44/38/93/616443893.db2.gz LBSQQGSCHUMTCE-VHSXEESVSA-N 0 3 295.343 -1.272 20 0 CAADHN COCCN1C[C@@H](O)[C@@H](CNC(=O)c2cnnn2C)C1 ZINC000958035502 616444000 /nfs/dbraw/zinc/44/40/00/616444000.db2.gz GKVZLYZEQDMTIU-GXSJLCMTSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2c[nH]c(=O)cn2)[C@H](O)C1 ZINC000958354586 616444761 /nfs/dbraw/zinc/44/47/61/616444761.db2.gz INKFBLYVCPTEIY-MWLCHTKSSA-N 0 3 296.327 -1.561 20 0 CAADHN COCC[N@H+]1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](O)C1 ZINC000958168102 616445915 /nfs/dbraw/zinc/44/59/15/616445915.db2.gz TYPQIGCVVDNNFS-MWLCHTKSSA-N 0 3 296.327 -1.149 20 0 CAADHN COCC[N@@H+]1C[C@@H](CNC(=O)c2cnc[n-]c2=O)[C@H](O)C1 ZINC000958168102 616445919 /nfs/dbraw/zinc/44/59/19/616445919.db2.gz TYPQIGCVVDNNFS-MWLCHTKSSA-N 0 3 296.327 -1.149 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC000957999831 616450517 /nfs/dbraw/zinc/45/05/17/616450517.db2.gz NZMQCDKOYHKOJK-UWVGGRQHSA-N 0 3 299.327 -1.353 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC000958354587 616450837 /nfs/dbraw/zinc/45/08/37/616450837.db2.gz INKFBLYVCPTEIY-ONGXEEELSA-N 0 3 296.327 -1.561 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957841754 616451060 /nfs/dbraw/zinc/45/10/60/616451060.db2.gz IKJVQKUOEGDRPB-STQMWFEESA-N 0 3 295.339 -1.011 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)c2N)C1 ZINC000957994639 616451769 /nfs/dbraw/zinc/45/17/69/616451769.db2.gz FLHXCZIYPGJEOS-ONGXEEELSA-N 0 3 297.359 -1.329 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2nccnc2N)C1 ZINC000957918684 616451995 /nfs/dbraw/zinc/45/19/95/616451995.db2.gz LBSQQGSCHUMTCE-UWVGGRQHSA-N 0 3 295.343 -1.272 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC000958026132 616452131 /nfs/dbraw/zinc/45/21/31/616452131.db2.gz YSURLSCTAQLHJH-UWVGGRQHSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@H](O)[C@@H](CNC(=O)c2nnn(C)c2C)C1 ZINC000957953494 616452255 /nfs/dbraw/zinc/45/22/55/616452255.db2.gz NWVGFOAWFZUGKZ-QWRGUYRKSA-N 0 3 297.359 -1.208 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2cc[n+]([O-])cc2)C1 ZINC000957841752 616458016 /nfs/dbraw/zinc/45/80/16/616458016.db2.gz IKJVQKUOEGDRPB-OLZOCXBDSA-N 0 3 295.339 -1.011 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)C2=COCCO2)C1 ZINC000957843409 616458292 /nfs/dbraw/zinc/45/82/92/616458292.db2.gz SBCKPOYBIIZBMJ-MNOVXSKESA-N 0 3 286.328 -1.070 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2cc(=O)n(C)o2)C1 ZINC000957999833 616458314 /nfs/dbraw/zinc/45/83/14/616458314.db2.gz NZMQCDKOYHKOJK-ZJUUUORDSA-N 0 3 299.327 -1.353 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC000958328874 616459211 /nfs/dbraw/zinc/45/92/11/616459211.db2.gz OMAMZBHENXOJNW-BDAKNGLRSA-N 0 3 284.320 -2.121 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2nnn(C)c2C)C1 ZINC000957953493 616459633 /nfs/dbraw/zinc/45/96/33/616459633.db2.gz NWVGFOAWFZUGKZ-MNOVXSKESA-N 0 3 297.359 -1.208 20 0 CAADHN COCCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC000958020030 616459704 /nfs/dbraw/zinc/45/97/04/616459704.db2.gz IYRLFDFWLMNTQA-KOLCDFICSA-N 0 3 283.332 -1.516 20 0 CAADHN COCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC000961507030 616473964 /nfs/dbraw/zinc/47/39/64/616473964.db2.gz UCOLWGJJDMHJAO-BRPSZJMVSA-N 0 3 266.305 -1.484 20 0 CAADHN CN1C[C@@H](C(=O)N2CC[C@@H](NCC(N)=O)C2)CCC1=O ZINC000970809491 616482224 /nfs/dbraw/zinc/48/22/24/616482224.db2.gz GZNZIKRLYHXJBL-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN COCC(=O)N1CCC(O)(CN[C@H]2CCN(C)C2=O)CC1 ZINC000946911137 616550392 /nfs/dbraw/zinc/55/03/92/616550392.db2.gz FCPWNFWNDPVBTD-NSHDSACASA-N 0 3 299.371 -1.193 20 0 CAADHN COCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC000965967680 616605438 /nfs/dbraw/zinc/60/54/38/616605438.db2.gz DLEHIZRZNDWUEX-BDAKNGLRSA-N 0 3 269.301 -1.372 20 0 CAADHN CNC(=O)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963349486 616607480 /nfs/dbraw/zinc/60/74/80/616607480.db2.gz RLSGIADCTCNMPE-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)CN1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963349483 616607759 /nfs/dbraw/zinc/60/77/59/616607759.db2.gz RLSGIADCTCNMPE-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)CN1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000950732212 616608621 /nfs/dbraw/zinc/60/86/21/616608621.db2.gz FRBVJIGMBGRRJV-UHFFFAOYSA-N 0 3 265.317 -1.158 20 0 CAADHN CNC(=O)CN1CC[C@@H](NC(=O)Cc2nnc[nH]2)[C@@H](C)C1 ZINC000944048271 616613784 /nfs/dbraw/zinc/61/37/84/616613784.db2.gz XOVQDFQKHJMXEZ-VHSXEESVSA-N 0 3 294.359 -1.080 20 0 CAADHN CNC(=O)CN1CC[C@@H]([C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000961219723 616618255 /nfs/dbraw/zinc/61/82/55/616618255.db2.gz JWAHEXOBMJKLGO-WDEREUQCSA-N 0 3 296.371 -1.222 20 0 CAADHN COCC(=O)N1CC[C@H](N(C)CCN2C(=O)CNC2=O)C1 ZINC000970908225 616626192 /nfs/dbraw/zinc/62/61/92/616626192.db2.gz OWOBZGMLOOIQIN-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN CNC(=O)CN1CC[C@H]([C@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000961219721 616627912 /nfs/dbraw/zinc/62/79/12/616627912.db2.gz JWAHEXOBMJKLGO-QWRGUYRKSA-N 0 3 296.371 -1.222 20 0 CAADHN CNC(=O)CN1C[C@@H]2CCN(C(=O)CC(N)=O)CC[C@@H]2C1 ZINC000946526802 616639043 /nfs/dbraw/zinc/63/90/43/616639043.db2.gz LVQSMMWOLZQXGG-PHIMTYICSA-N 0 3 296.371 -1.222 20 0 CAADHN CNC(=O)CN1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946746469 616639090 /nfs/dbraw/zinc/63/90/90/616639090.db2.gz AEWSVILHTLPLSM-AOOOYVTPSA-N 0 3 282.344 -1.612 20 0 CAADHN CNC(=O)CN1C[C@@H]2[C@@H](CNC(=O)c3nnc[nH]3)[C@@H]2C1 ZINC000978877972 616641858 /nfs/dbraw/zinc/64/18/58/616641858.db2.gz KAGOMEQFRBQQCB-PSVAKVPMSA-N 0 3 278.316 -1.542 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1 ZINC000962070288 616647954 /nfs/dbraw/zinc/64/79/54/616647954.db2.gz AVNAXAZLAAWWLN-QMSLJYSESA-N 0 3 264.289 -1.789 20 0 CAADHN CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1 ZINC000962070288 616647955 /nfs/dbraw/zinc/64/79/55/616647955.db2.gz AVNAXAZLAAWWLN-QMSLJYSESA-N 0 3 264.289 -1.789 20 0 CAADHN COCC(=O)N1C[C@@H](NC(=O)Cc2nc[nH]c2C)[C@@H](O)C1 ZINC000969412339 616685190 /nfs/dbraw/zinc/68/51/90/616685190.db2.gz BQXKMLDLAPRKIU-MNOVXSKESA-N 0 3 296.327 -1.405 20 0 CAADHN COCCn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)cn1 ZINC000970592585 616717406 /nfs/dbraw/zinc/71/74/06/616717406.db2.gz NJRUKYMPSWINRF-LLVKDONJSA-N 0 3 295.343 -1.181 20 0 CAADHN COCCn1cc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)nn1 ZINC000959848549 616726140 /nfs/dbraw/zinc/72/61/40/616726140.db2.gz SPOKEHMSUVWCGO-IAZYJMLFSA-N 0 3 295.343 -1.423 20 0 CAADHN COCCn1nccc1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969032342 616758134 /nfs/dbraw/zinc/75/81/34/616758134.db2.gz QANLZOOIECCISK-SNVBAGLBSA-N 0 3 295.343 -1.181 20 0 CAADHN CNC(=O)[C@@H](C)N1CCC[C@H](N(C)C(=O)C(N)=O)CC1 ZINC000948738271 616787411 /nfs/dbraw/zinc/78/74/11/616787411.db2.gz UJXTYIYYTYDEQI-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)[C@@H](C)N1CCC[C@@H](N(C)C(=O)C(N)=O)CC1 ZINC000948738267 616787584 /nfs/dbraw/zinc/78/75/84/616787584.db2.gz UJXTYIYYTYDEQI-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960754483 616853140 /nfs/dbraw/zinc/85/31/40/616853140.db2.gz YJWONWDSMOYLQV-QHOPCYEYSA-N 0 3 278.316 -1.401 20 0 CAADHN COCc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)no1 ZINC000958457581 616880790 /nfs/dbraw/zinc/88/07/90/616880790.db2.gz FDNHJCVJECJLSK-JOYOIKCWSA-N 0 3 299.327 -1.164 20 0 CAADHN COCc1nc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)co1 ZINC000958551809 616926554 /nfs/dbraw/zinc/92/65/54/616926554.db2.gz NXXNBIZZGNFERX-MWLCHTKSSA-N 0 3 299.327 -1.164 20 0 CAADHN COCc1nc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)co1 ZINC000958551807 616927166 /nfs/dbraw/zinc/92/71/66/616927166.db2.gz NXXNBIZZGNFERX-GXSJLCMTSA-N 0 3 299.327 -1.164 20 0 CAADHN COCc1nn(C)cc1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969131836 616967192 /nfs/dbraw/zinc/96/71/92/616967192.db2.gz CNJBJDQMWKBGFX-SECBINFHSA-N 0 3 295.343 -1.144 20 0 CAADHN COCc1nocc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958584198 616983922 /nfs/dbraw/zinc/98/39/22/616983922.db2.gz OVHPQHLORZDLAF-SKDRFNHKSA-N 0 3 299.327 -1.164 20 0 CAADHN CO[C@@H](C(=O)N1CC[C@@H](NCC(N)=O)C1)c1cnn(C)c1 ZINC000969476594 617122985 /nfs/dbraw/zinc/12/29/85/617122985.db2.gz MAFZFHVQRGPENI-ZYHUDNBSSA-N 0 3 295.343 -1.217 20 0 CAADHN CO[C@@H](C)C(=O)N1CCC(O)(CN[C@@H]2CCNC2=O)CC1 ZINC000946918904 617133606 /nfs/dbraw/zinc/13/36/06/617133606.db2.gz VEYURORPVPNSAD-WDEREUQCSA-N 0 3 299.371 -1.147 20 0 CAADHN COc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)nn1C ZINC000958240158 617161595 /nfs/dbraw/zinc/16/15/95/617161595.db2.gz YDLDAJOAFPHESW-MWLCHTKSSA-N 0 3 298.343 -1.557 20 0 CAADHN COc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)on1 ZINC000957997520 617161681 /nfs/dbraw/zinc/16/16/81/617161681.db2.gz ZJIVAZSAMMKDOM-BDAKNGLRSA-N 0 3 285.300 -1.302 20 0 CAADHN COc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)nn1C ZINC000958240156 617161697 /nfs/dbraw/zinc/16/16/97/617161697.db2.gz YDLDAJOAFPHESW-KOLCDFICSA-N 0 3 298.343 -1.557 20 0 CAADHN C[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ncnn1)C2 ZINC001095421124 782186855 /nfs/dbraw/zinc/18/68/55/782186855.db2.gz MBAKHFDJNLWMSM-VLEAKVRGSA-N 0 3 280.332 -1.225 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CS(C)(=O)=O ZINC000988279355 656142906 /nfs/dbraw/zinc/14/29/06/656142906.db2.gz JRCXJXIOPONHDX-HTQZYQBOSA-N 0 3 277.346 -1.905 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC000912599378 656261667 /nfs/dbraw/zinc/26/16/67/656261667.db2.gz PGDUTLAMQGSWLP-VIFPVBQESA-N 0 3 258.322 -1.608 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCN(C)CCO ZINC000912605983 656262521 /nfs/dbraw/zinc/26/25/21/656262521.db2.gz FUROVBIWAHYDBN-SECBINFHSA-N 0 3 281.378 -1.693 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CCOC(=O)N1 ZINC000912598478 656262608 /nfs/dbraw/zinc/26/26/08/656262608.db2.gz FQVPIGQGRKDONW-SECBINFHSA-N 0 3 259.306 -1.133 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC000912603111 656261865 /nfs/dbraw/zinc/26/18/65/656261865.db2.gz CYTHDZQPMYZNCC-ZJUUUORDSA-N 0 3 257.334 -1.120 20 0 CAADHN CNS(=O)(=O)CC(=O)N(C)CCN(C)CCO ZINC000912608389 656263269 /nfs/dbraw/zinc/26/32/69/656263269.db2.gz URSIBVPUNMYBCX-UHFFFAOYSA-N 0 3 267.351 -2.082 20 0 CAADHN CCN(CCO)CCNC(=O)NC[C@@H]1COCO1 ZINC000923853069 656382287 /nfs/dbraw/zinc/38/22/87/656382287.db2.gz QNARIVWFIZRESP-SNVBAGLBSA-N 0 3 261.322 -1.027 20 0 CAADHN O=S(=O)([N-][C@@H]1CNCCC1(F)F)C1C[NH2+]C1 ZINC000923643388 656811293 /nfs/dbraw/zinc/81/12/93/656811293.db2.gz BBQPNTKFJDBUTD-SSDOTTSWSA-N 0 3 255.290 -1.125 20 0 CAADHN C[C@@H](O)[C@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000930847412 656841602 /nfs/dbraw/zinc/84/16/02/656841602.db2.gz HKOUJJWDHIVOEH-GHMZBOCLSA-N 0 3 259.350 -1.566 20 0 CAADHN CNC(=O)CN(CCN1CCCC1)CC(=O)NC ZINC000931623098 656846421 /nfs/dbraw/zinc/84/64/21/656846421.db2.gz RWEGCAKFAHZAMJ-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN O=C(Cn1nccn1)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001095472728 782189652 /nfs/dbraw/zinc/18/96/52/782189652.db2.gz MYCNKLDEOGOYDF-VWYCJHECSA-N 0 3 265.317 -1.008 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)ccc1=O ZINC000969187224 655995326 /nfs/dbraw/zinc/99/53/26/655995326.db2.gz IQXJFSBMNJMFIR-SNVBAGLBSA-N 0 3 278.312 -1.325 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)c2cn[nH]n2)C1)N1CCC1 ZINC000969175642 655995397 /nfs/dbraw/zinc/99/53/97/655995397.db2.gz YEWBQIVFYNXAFF-SECBINFHSA-N 0 3 278.316 -1.159 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC000969194546 655995444 /nfs/dbraw/zinc/99/54/44/655995444.db2.gz CSKUTBNRNUSQHH-SECBINFHSA-N 0 3 283.332 -1.923 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CN2CCCNC2=O)C1)C(N)=O ZINC000969193566 655995622 /nfs/dbraw/zinc/99/56/22/655995622.db2.gz HLJSAHHFSKCIOH-NXEZZACHSA-N 0 3 297.359 -1.534 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000969169857 655995761 /nfs/dbraw/zinc/99/57/61/655995761.db2.gz JNMGYAWSAHIPCS-RKDXNWHRSA-N 0 3 268.317 -1.812 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC000969244400 655996271 /nfs/dbraw/zinc/99/62/71/655996271.db2.gz CKVOLDPOSDDASD-SECBINFHSA-N 0 3 296.327 -1.799 20 0 CAADHN NC(=O)COc1ccc(CNC[C@H](O)CO)cc1 ZINC000090282091 655996304 /nfs/dbraw/zinc/99/63/04/655996304.db2.gz BIYPAPRWRPIDFG-JTQLQIEISA-N 0 3 254.286 -1.007 20 0 CAADHN COc1nccc(C(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000969297511 655996318 /nfs/dbraw/zinc/99/63/18/655996318.db2.gz DBDXZIYYTQZWDQ-MRVPVSSYSA-N 0 3 279.300 -1.225 20 0 CAADHN NC(=O)COc1ccc(CNC[C@@H](O)CO)cc1 ZINC000090282092 655996532 /nfs/dbraw/zinc/99/65/32/655996532.db2.gz BIYPAPRWRPIDFG-SNVBAGLBSA-N 0 3 254.286 -1.007 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2ccc(C(N)=O)o2)C1 ZINC000969272952 655996597 /nfs/dbraw/zinc/99/65/97/655996597.db2.gz FXDHLORBHCZMIT-SSDOTTSWSA-N 0 3 280.284 -1.332 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC000969249297 655996609 /nfs/dbraw/zinc/99/66/09/655996609.db2.gz GTBDYAHZLIMMEB-NXEZZACHSA-N 0 3 297.359 -1.547 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2ccc3nnnn3c2)C1 ZINC000969317857 655996849 /nfs/dbraw/zinc/99/68/49/655996849.db2.gz JZDGTDDDUUPASH-SECBINFHSA-N 0 3 289.299 -1.586 20 0 CAADHN COc1c[nH]c(C(=O)N2CC[C@@H](NCC(N)=O)C2)cc1=O ZINC000969347023 655998053 /nfs/dbraw/zinc/99/80/53/655998053.db2.gz ZUDMWZUQKCEHKE-MRVPVSSYSA-N 0 3 294.311 -1.327 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](NCC(N)=O)C2)ncc1=O ZINC000969400130 655998142 /nfs/dbraw/zinc/99/81/42/655998142.db2.gz CIKGYIHZBDFDCA-MRVPVSSYSA-N 0 3 279.300 -1.930 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C1 ZINC001020495190 655998151 /nfs/dbraw/zinc/99/81/51/655998151.db2.gz BYHATRKYNDMYQC-ZKCHVHJHSA-N 0 3 279.300 -1.174 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001020532023 655999120 /nfs/dbraw/zinc/99/91/20/655999120.db2.gz FAKQKUHDSDTVEB-NRPADANISA-N 0 3 293.331 -1.767 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C1CN(CCO)C1 ZINC000969439980 655999909 /nfs/dbraw/zinc/99/99/09/655999909.db2.gz DBOSWURNCFLZAN-PWSUYJOCSA-N 0 3 271.361 -1.254 20 0 CAADHN CCn1nnc(C)c1CN[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC001020533357 656000293 /nfs/dbraw/zinc/00/02/93/656000293.db2.gz SMEPEWSAFIMHTE-KYZUINATSA-N 0 3 280.332 -1.171 20 0 CAADHN COc1coc(CN[C@H]2C[C@H](NC(=O)C(N)=O)C2)cc1=O ZINC001020536275 656000332 /nfs/dbraw/zinc/00/03/32/656000332.db2.gz IBHPFLWRNMSEHZ-ZKCHVHJHSA-N 0 3 295.295 -1.130 20 0 CAADHN C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(CCCO)C1 ZINC000969588355 656001161 /nfs/dbraw/zinc/00/11/61/656001161.db2.gz LMFIOUKLUKGUNM-SCZZXKLOSA-N 0 3 271.317 -1.086 20 0 CAADHN Cn1c(C(=O)N2CC[C@@H](NCC(N)=O)C2)c[nH]c1=O ZINC000969577149 656001408 /nfs/dbraw/zinc/00/14/08/656001408.db2.gz SHZZHPQCTQVBSK-SSDOTTSWSA-N 0 3 267.289 -1.585 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1)C(N)=O ZINC000969576567 656001461 /nfs/dbraw/zinc/00/14/61/656001461.db2.gz KACXJCYIKAXFKD-JGVFFNPUSA-N 0 3 281.316 -1.196 20 0 CAADHN COc1nn(C)cc1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969563248 656001536 /nfs/dbraw/zinc/00/15/36/656001536.db2.gz AJSZGVAGBNDOAJ-MRVPVSSYSA-N 0 3 281.316 -1.282 20 0 CAADHN COCCN(C)CCN1C(=O)[C@@H]2C[C@@H](O)CN2C1=O ZINC000349374020 656002028 /nfs/dbraw/zinc/00/20/28/656002028.db2.gz UYVMZFCYJLJJAC-ZJUUUORDSA-N 0 3 271.317 -1.038 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1)C(N)=O ZINC000969645246 656002483 /nfs/dbraw/zinc/00/24/83/656002483.db2.gz DZJUWNSQYXQFTM-OGBGREFGSA-N 0 3 267.329 -1.057 20 0 CAADHN O=C(c1c[nH]c(=O)cn1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000969743442 656002881 /nfs/dbraw/zinc/00/28/81/656002881.db2.gz GFXUDPOSOZYRCP-RKDXNWHRSA-N 0 3 291.311 -1.538 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)C(N)=O ZINC000969750606 656003167 /nfs/dbraw/zinc/00/31/67/656003167.db2.gz KFQLJJGIDFSIEQ-JGVFFNPUSA-N 0 3 279.300 -1.552 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC000969766902 656003768 /nfs/dbraw/zinc/00/37/68/656003768.db2.gz ROZHVJXGKUOOMB-RQJHMYQMSA-N 0 3 255.278 -2.656 20 0 CAADHN Cn1cncc1CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC000969766465 656003940 /nfs/dbraw/zinc/00/39/40/656003940.db2.gz NPGDPLDMGOOTJZ-MWLCHTKSSA-N 0 3 292.343 -1.208 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000969778258 656004326 /nfs/dbraw/zinc/00/43/26/656004326.db2.gz VHJFTEJIQRFVFV-SFYZADRCSA-N 0 3 254.290 -2.059 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC000969791634 656004851 /nfs/dbraw/zinc/00/48/51/656004851.db2.gz GCSMZGVZHNVYSY-RKDXNWHRSA-N 0 3 280.328 -1.669 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)C(N)=O ZINC000969786932 656004938 /nfs/dbraw/zinc/00/49/38/656004938.db2.gz WHMDLMBVXNDVFF-JGVFFNPUSA-N 0 3 268.317 -1.684 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)CC1 ZINC000969792937 656004997 /nfs/dbraw/zinc/00/49/97/656004997.db2.gz YGMXVWXLDFCWEP-NXEZZACHSA-N 0 3 294.355 -1.279 20 0 CAADHN Cc1csc(=O)n1CCN[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000969785330 656005036 /nfs/dbraw/zinc/00/50/36/656005036.db2.gz IXBYIAZSXWAITA-SECBINFHSA-N 0 3 298.368 -1.106 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)[nH]c1=O ZINC000969827382 656005465 /nfs/dbraw/zinc/00/54/65/656005465.db2.gz OTZSHAVEXMJIQT-RKDXNWHRSA-N 0 3 293.327 -1.182 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)CCC(=O)N1 ZINC000969849847 656005602 /nfs/dbraw/zinc/00/56/02/656005602.db2.gz IXFQTJYKTIZMMG-BFVZDQMLSA-N 0 3 294.355 -1.266 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1)C(N)=O ZINC000969849783 656005770 /nfs/dbraw/zinc/00/57/70/656005770.db2.gz GAXIZHOTFVJVTA-KKFJDGPESA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CCc2cnn(C)n2)C1)C(N)=O ZINC000969980839 656006202 /nfs/dbraw/zinc/00/62/02/656006202.db2.gz SBCOMUOVFCVRFL-GXSJLCMTSA-N 0 3 294.359 -1.188 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000969930973 656006300 /nfs/dbraw/zinc/00/63/00/656006300.db2.gz NGWNZSYYJBHPEO-HRDYMLBCSA-N 0 3 284.316 -2.305 20 0 CAADHN C[C@@H](N[C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1)c1nnnn1C ZINC001020772965 656007416 /nfs/dbraw/zinc/00/74/16/656007416.db2.gz AIFBCVQUVDWAQK-BWZBUEFSSA-N 0 3 291.319 -1.060 20 0 CAADHN C[C@@H](N[C@H]1C[C@H](NC(=O)c2ncn[nH]2)C1)c1nnnn1C ZINC001020772965 656007420 /nfs/dbraw/zinc/00/74/20/656007420.db2.gz AIFBCVQUVDWAQK-BWZBUEFSSA-N 0 3 291.319 -1.060 20 0 CAADHN C[C@@H](N[C@H]1C[C@H](NC(=O)c2nc[nH]n2)C1)c1nnnn1C ZINC001020772965 656007423 /nfs/dbraw/zinc/00/74/23/656007423.db2.gz AIFBCVQUVDWAQK-BWZBUEFSSA-N 0 3 291.319 -1.060 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000970103434 656008414 /nfs/dbraw/zinc/00/84/14/656008414.db2.gz OTMGZNCUHYKODI-MRVPVSSYSA-N 0 3 251.290 -1.372 20 0 CAADHN Cn1ncnc1CN[C@H]1C[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001020904119 656008792 /nfs/dbraw/zinc/00/87/92/656008792.db2.gz NNVVMBIWDPRVJB-KYZUINATSA-N 0 3 290.331 -1.087 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)COC2CCOCC2)C1 ZINC000970152448 656009052 /nfs/dbraw/zinc/00/90/52/656009052.db2.gz JPRBRBIUFFDOPE-SNVBAGLBSA-N 0 3 285.344 -1.142 20 0 CAADHN Cn1cnnc1CN[C@H]1C[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001020903865 656009132 /nfs/dbraw/zinc/00/91/32/656009132.db2.gz FRSDZUOKARJJMC-KYZUINATSA-N 0 3 290.331 -1.087 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970203070 656012177 /nfs/dbraw/zinc/01/21/77/656012177.db2.gz XBUILOSJXKTJKZ-BBBLOLIVSA-N 0 3 298.343 -2.356 20 0 CAADHN NC(=O)CN[C@H]1C[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C1 ZINC001021074787 656012637 /nfs/dbraw/zinc/01/26/37/656012637.db2.gz XJXDQWWMXGPEBI-CIUDSAMLSA-N 0 3 289.357 -1.714 20 0 CAADHN C[C@H]1CCN(CC(=O)N2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1 ZINC000970205753 656012782 /nfs/dbraw/zinc/01/27/82/656012782.db2.gz PLTHFTDRUYRXNF-AEJSXWLSSA-N 0 3 298.343 -2.499 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)n1 ZINC000970257923 656013177 /nfs/dbraw/zinc/01/31/77/656013177.db2.gz YDSLXYIBPBNMOD-SNVBAGLBSA-N 0 3 292.343 -1.149 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)C(N)=O ZINC000970254316 656013192 /nfs/dbraw/zinc/01/31/92/656013192.db2.gz BVKXPJLMSRMMBQ-VXNVDRBHSA-N 0 3 296.327 -1.897 20 0 CAADHN Cn1ncc(C(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000970262332 656013374 /nfs/dbraw/zinc/01/33/74/656013374.db2.gz CMNMCEDETUJGML-SSDOTTSWSA-N 0 3 252.278 -1.896 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cnn(C)n2)C1)C(N)=O ZINC000970257336 656013495 /nfs/dbraw/zinc/01/34/95/656013495.db2.gz IMVZBRRNCBBIRX-HTQZYQBOSA-N 0 3 266.305 -1.507 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N1CC[C@@H](NCCF)C1 ZINC000970283144 656013522 /nfs/dbraw/zinc/01/35/22/656013522.db2.gz MVRKXFZXQBRZOV-MRVPVSSYSA-N 0 3 272.280 -1.302 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CN(CCCO)C1 ZINC000970271764 656013615 /nfs/dbraw/zinc/01/36/15/656013615.db2.gz VYOSXNLVKNMDHJ-ONGXEEELSA-N 0 3 284.360 -1.171 20 0 CAADHN C[C@@H](NC(=O)c1nnn(C)n1)C1CN(CCCO)C1 ZINC000970288610 656013798 /nfs/dbraw/zinc/01/37/98/656013798.db2.gz UGLSKKXHYOVKFK-MRVPVSSYSA-N 0 3 268.321 -1.357 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000970295557 656014059 /nfs/dbraw/zinc/01/40/59/656014059.db2.gz PQTZIJSPVHVCOM-HTQZYQBOSA-N 0 3 264.289 -1.503 20 0 CAADHN O=C(c1nc[nH]n1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000970295557 656014060 /nfs/dbraw/zinc/01/40/60/656014060.db2.gz PQTZIJSPVHVCOM-HTQZYQBOSA-N 0 3 264.289 -1.503 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000970295651 656014115 /nfs/dbraw/zinc/01/41/15/656014115.db2.gz RSZHQTQWSRXAGW-RKDXNWHRSA-N 0 3 278.316 -1.113 20 0 CAADHN C[C@H](NC(=O)c1nnn(C)n1)C1CN(CCCO)C1 ZINC000970288611 656014128 /nfs/dbraw/zinc/01/41/28/656014128.db2.gz UGLSKKXHYOVKFK-QMMMGPOBSA-N 0 3 268.321 -1.357 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cnon2)C1)C(N)=O ZINC000970303726 656014130 /nfs/dbraw/zinc/01/41/30/656014130.db2.gz NLIDOWUAZVXSTH-NKWVEPMBSA-N 0 3 253.262 -1.253 20 0 CAADHN O=C(c1cnon1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000970304092 656014148 /nfs/dbraw/zinc/01/41/48/656014148.db2.gz RSJTXGDDWDIURG-SFYZADRCSA-N 0 3 265.273 -1.238 20 0 CAADHN C[C@@H](O)CN1CC([C@@H](C)NC(=O)c2nnn(C)n2)C1 ZINC000970287816 656014175 /nfs/dbraw/zinc/01/41/75/656014175.db2.gz LSIFAIFNYQILDB-HTQZYQBOSA-N 0 3 268.321 -1.359 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000970373186 656014462 /nfs/dbraw/zinc/01/44/62/656014462.db2.gz ACDJTJBKCXJVIH-ZJUUUORDSA-N 0 3 293.327 -1.000 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1)C(N)=O ZINC000970346217 656014524 /nfs/dbraw/zinc/01/45/24/656014524.db2.gz QEIGRDYHCCDCAM-IONNQARKSA-N 0 3 293.327 -1.209 20 0 CAADHN O=C(CCn1cnnn1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000970324409 656014821 /nfs/dbraw/zinc/01/48/21/656014821.db2.gz HBOSFDAPXFTXAJ-ZJUUUORDSA-N 0 3 293.331 -1.858 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000970343840 656014899 /nfs/dbraw/zinc/01/48/99/656014899.db2.gz RPCZCIGYQFEIMW-MRVPVSSYSA-N 0 3 251.290 -1.372 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC000970450895 656015044 /nfs/dbraw/zinc/01/50/44/656015044.db2.gz JGTNJUSLZPTKAQ-ZJUUUORDSA-N 0 3 297.359 -1.405 20 0 CAADHN CN1CCN(C)[C@H](CNS(=O)(=O)N2CCNCC2)C1 ZINC000068808971 656015123 /nfs/dbraw/zinc/01/51/23/656015123.db2.gz ARKWSQPAQNONNG-LLVKDONJSA-N 0 3 291.421 -2.028 20 0 CAADHN C[C@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CN(CCCO)C1 ZINC000970427915 656015155 /nfs/dbraw/zinc/01/51/55/656015155.db2.gz KIFZXNQCWUQIOV-GDPRMGEGSA-N 0 3 269.345 -1.073 20 0 CAADHN C[C@@H](NC(=O)[C@H]1C[C@H]1C(N)=O)C1CN(CCCO)C1 ZINC000970427918 656015158 /nfs/dbraw/zinc/01/51/58/656015158.db2.gz KIFZXNQCWUQIOV-IEBDPFPHSA-N 0 3 269.345 -1.073 20 0 CAADHN Cn1nnnc1CN[C@@H]1CCN(C(=O)Cc2ncn[nH]2)C1 ZINC000970442890 656015216 /nfs/dbraw/zinc/01/52/16/656015216.db2.gz BYWAIQXPYFYGCQ-MRVPVSSYSA-N 0 3 291.319 -1.739 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCCN2C(N)=O)C1 ZINC000970450894 656015248 /nfs/dbraw/zinc/01/52/48/656015248.db2.gz JGTNJUSLZPTKAQ-NXEZZACHSA-N 0 3 297.359 -1.405 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000970521026 656015851 /nfs/dbraw/zinc/01/58/51/656015851.db2.gz IULNMRJNFXJWBK-BBBLOLIVSA-N 0 3 280.328 -1.656 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cnn3cc[nH]c23)C1 ZINC000970573558 656015858 /nfs/dbraw/zinc/01/58/58/656015858.db2.gz CKPURKWHIJDRJQ-MRVPVSSYSA-N 0 3 276.300 -1.048 20 0 CAADHN Cn1cncc1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970482543 656016007 /nfs/dbraw/zinc/01/60/07/656016007.db2.gz VGGYTZWQBHNMMI-SECBINFHSA-N 0 3 265.317 -1.362 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(N)=O ZINC000970524154 656016173 /nfs/dbraw/zinc/01/61/73/656016173.db2.gz KUDPSBRKRAQTHR-HLTSFMKQSA-N 0 3 268.317 -1.671 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC000970652811 656016891 /nfs/dbraw/zinc/01/68/91/656016891.db2.gz BWECKJFKTDLZLH-MRVPVSSYSA-N 0 3 252.278 -2.046 20 0 CAADHN Cc1nn(CC(=O)N2CC[C@@H](NCC(N)=O)C2)c(=O)n1C ZINC000970611863 656016921 /nfs/dbraw/zinc/01/69/21/656016921.db2.gz GQOVNKVORQEUJY-SECBINFHSA-N 0 3 296.331 -2.434 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)Cn2cncn2)C1)C(N)=O ZINC000970653386 656017049 /nfs/dbraw/zinc/01/70/49/656017049.db2.gz KLOBPTBBQADBIE-RKDXNWHRSA-N 0 3 266.305 -1.658 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2nccnc2C(N)=O)C1 ZINC000970671299 656017515 /nfs/dbraw/zinc/01/75/15/656017515.db2.gz URLQCTDOHDNWFI-SSDOTTSWSA-N 0 3 292.299 -2.135 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C(N)=O ZINC000970662021 656017600 /nfs/dbraw/zinc/01/76/00/656017600.db2.gz QVFSDOLQWXEUCM-HTQZYQBOSA-N 0 3 297.315 -2.398 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2cncc(C(N)=O)c2)C1 ZINC000970738441 656017840 /nfs/dbraw/zinc/01/78/40/656017840.db2.gz GTSKAZNPZICCFK-SNVBAGLBSA-N 0 3 291.311 -1.530 20 0 CAADHN Cc1nccn1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000970723606 656017915 /nfs/dbraw/zinc/01/79/15/656017915.db2.gz CPJAHDJTGCHVHK-SNVBAGLBSA-N 0 3 265.317 -1.133 20 0 CAADHN Cn1ccc(C(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000970716866 656017918 /nfs/dbraw/zinc/01/79/18/656017918.db2.gz GZQLNZHQVUULHU-MRVPVSSYSA-N 0 3 251.290 -1.291 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N1CC[C@@H](NCCF)C1 ZINC000970661799 656017925 /nfs/dbraw/zinc/01/79/25/656017925.db2.gz OLSUEUCTZUFRNR-MRVPVSSYSA-N 0 3 272.280 -1.302 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC000970726665 656018001 /nfs/dbraw/zinc/01/80/01/656018001.db2.gz XNAWDXZPVBSFKO-MRVPVSSYSA-N 0 3 279.300 -1.597 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1 ZINC000970661542 656018014 /nfs/dbraw/zinc/01/80/14/656018014.db2.gz ITPUBGOFJLUBLY-SSDOTTSWSA-N 0 3 283.288 -2.786 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCc3nncn3C2)C1 ZINC000970782159 656018294 /nfs/dbraw/zinc/01/82/94/656018294.db2.gz BQUHMXGNYPVOIK-VHSXEESVSA-N 0 3 292.343 -1.484 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CCc2cn(C)nn2)C1)C(N)=O ZINC000970876796 656019644 /nfs/dbraw/zinc/01/96/44/656019644.db2.gz RVBNLKGNPVIZHM-NXEZZACHSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C1CN(CCO)C1 ZINC000970868518 656019748 /nfs/dbraw/zinc/01/97/48/656019748.db2.gz LUPYRBNTJOVNGL-QMMMGPOBSA-N 0 3 296.327 -1.472 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CCc2cn(C)nn2)C1)C(N)=O ZINC000970876801 656019885 /nfs/dbraw/zinc/01/98/85/656019885.db2.gz RVBNLKGNPVIZHM-VHSXEESVSA-N 0 3 294.359 -1.188 20 0 CAADHN CCC(=O)N[C@H]1C[C@@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001021743422 656021063 /nfs/dbraw/zinc/02/10/63/656021063.db2.gz OGYKNIVOOFVBFF-AOOOYVTPSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)C(N)=O)C2)C1 ZINC000955161636 656021073 /nfs/dbraw/zinc/02/10/73/656021073.db2.gz LBVYMVZPJZWMGQ-VIFPVBQESA-N 0 3 282.344 -1.517 20 0 CAADHN CC(C)(CNS(=O)(=O)N1CCNCC1)S(C)(=O)=O ZINC000093534886 656029118 /nfs/dbraw/zinc/02/91/18/656029118.db2.gz VEIPLKZMHKBOJM-UHFFFAOYSA-N 0 3 299.418 -1.451 20 0 CAADHN Cn1ncc(CN[C@H]2C[C@@H](NC(=O)c3cn[nH]n3)C2)n1 ZINC001022352148 656028492 /nfs/dbraw/zinc/02/84/92/656028492.db2.gz LIFBEZQKFSQDMX-OCAPTIKFSA-N 0 3 276.304 -1.016 20 0 CAADHN NC(=O)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001022386704 656028614 /nfs/dbraw/zinc/02/86/14/656028614.db2.gz CXVHCYHAJSFUMM-HLTSFMKQSA-N 0 3 289.357 -1.857 20 0 CAADHN C[C@@H](N[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1)c1nnnn1C ZINC001022354135 656028751 /nfs/dbraw/zinc/02/87/51/656028751.db2.gz FFYZBGPDYMFPDZ-PRJMDXOYSA-N 0 3 291.319 -1.060 20 0 CAADHN COc1coc(C(=O)N[C@H]2C[C@@H](NCC(N)=O)C2)cc1=O ZINC001022432560 656028875 /nfs/dbraw/zinc/02/88/75/656028875.db2.gz PSEWXOPDWZLUGR-OCAPTIKFSA-N 0 3 295.295 -1.016 20 0 CAADHN CCCN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926295686 656029107 /nfs/dbraw/zinc/02/91/07/656029107.db2.gz QDPOZCXPELKIOT-UHFFFAOYSA-N 0 3 256.350 -1.124 20 0 CAADHN C[C@@]1(CO)CCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926344355 656031780 /nfs/dbraw/zinc/03/17/80/656031780.db2.gz WKVMEXZJDGJMOF-AWEZNQCLSA-N 0 3 298.387 -1.619 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C1 ZINC001022576936 656031915 /nfs/dbraw/zinc/03/19/15/656031915.db2.gz BYHATRKYNDMYQC-OCAPTIKFSA-N 0 3 279.300 -1.174 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001022629552 656031966 /nfs/dbraw/zinc/03/19/66/656031966.db2.gz FAKQKUHDSDTVEB-KHQFGBGNSA-N 0 3 293.331 -1.767 20 0 CAADHN CCn1nncc1CN[C@H]1C[C@@H](NC(=O)C(N)=O)C1 ZINC001022633250 656032562 /nfs/dbraw/zinc/03/25/62/656032562.db2.gz GBUBFIKPFUMNQV-OCAPTIKFSA-N 0 3 266.305 -1.480 20 0 CAADHN COc1coc(CN[C@H]2C[C@@H](NC(=O)C(N)=O)C2)cc1=O ZINC001022637245 656032766 /nfs/dbraw/zinc/03/27/66/656032766.db2.gz IBHPFLWRNMSEHZ-OCAPTIKFSA-N 0 3 295.295 -1.130 20 0 CAADHN CN(C[C@@H](O)C1CC1)C(=O)C(=O)N1CCNCCNCC1 ZINC000926407682 656034366 /nfs/dbraw/zinc/03/43/66/656034366.db2.gz PCRNHMVBGSWMOW-GFCCVEGCSA-N 0 3 298.387 -1.763 20 0 CAADHN CN(CCc1ccnn1C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000972211787 656034454 /nfs/dbraw/zinc/03/44/54/656034454.db2.gz ILSHZOGGIAWWJI-LLVKDONJSA-N 0 3 279.344 -1.019 20 0 CAADHN C[C@@H](N[C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1)c1nnnn1C ZINC001022866571 656038661 /nfs/dbraw/zinc/03/86/61/656038661.db2.gz AIFBCVQUVDWAQK-PRJMDXOYSA-N 0 3 291.319 -1.060 20 0 CAADHN C[C@@H](N[C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1)c1nnnn1C ZINC001022866571 656038662 /nfs/dbraw/zinc/03/86/62/656038662.db2.gz AIFBCVQUVDWAQK-PRJMDXOYSA-N 0 3 291.319 -1.060 20 0 CAADHN C[C@@H](N[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1)c1nnnn1C ZINC001022866571 656038663 /nfs/dbraw/zinc/03/86/63/656038663.db2.gz AIFBCVQUVDWAQK-PRJMDXOYSA-N 0 3 291.319 -1.060 20 0 CAADHN C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001022956229 656040215 /nfs/dbraw/zinc/04/02/15/656040215.db2.gz WVFKMZHHOCNBEX-PRJMDXOYSA-N 0 3 266.305 -1.542 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001022953154 656040266 /nfs/dbraw/zinc/04/02/66/656040266.db2.gz JWIWJKWHEXVXPD-AOOOYVTPSA-N 0 3 292.343 -1.184 20 0 CAADHN CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001022956301 656040348 /nfs/dbraw/zinc/04/03/48/656040348.db2.gz ZZJCLUKTXNXLCA-YIZRAAEISA-N 0 3 280.332 -1.152 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001022956207 656040517 /nfs/dbraw/zinc/04/05/17/656040517.db2.gz VVWZZANAPVHIAT-AEJSXWLSSA-N 0 3 292.343 -1.137 20 0 CAADHN CCS(=O)(=O)NCCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924478858 656043853 /nfs/dbraw/zinc/04/38/53/656043853.db2.gz QNRYMVCIWRDXIM-QMMMGPOBSA-N 0 3 292.361 -1.592 20 0 CAADHN CC(C)[C@@H](C(=O)N1CCN(C(=O)C(N)=O)CC1)N(C)C ZINC001011268141 656045976 /nfs/dbraw/zinc/04/59/76/656045976.db2.gz OCCSSHDTSWQEPZ-JTQLQIEISA-N 0 3 284.360 -1.271 20 0 CAADHN NC(=O)CN1CCC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023657487 656048791 /nfs/dbraw/zinc/04/87/91/656048791.db2.gz QOKUBQJNHRARQG-MRVPVSSYSA-N 0 3 266.305 -1.268 20 0 CAADHN NC(=O)CN1CCC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001023657487 656048794 /nfs/dbraw/zinc/04/87/94/656048794.db2.gz QOKUBQJNHRARQG-MRVPVSSYSA-N 0 3 266.305 -1.268 20 0 CAADHN CNC(=O)CN1CCC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023656538 656048820 /nfs/dbraw/zinc/04/88/20/656048820.db2.gz ZQPRNULTPRHCHL-VIFPVBQESA-N 0 3 280.332 -1.008 20 0 CAADHN CNC(=O)CN1CCC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023656538 656048821 /nfs/dbraw/zinc/04/88/21/656048821.db2.gz ZQPRNULTPRHCHL-VIFPVBQESA-N 0 3 280.332 -1.008 20 0 CAADHN NC(=O)CN1CCC[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001023657488 656049097 /nfs/dbraw/zinc/04/90/97/656049097.db2.gz QOKUBQJNHRARQG-QMMMGPOBSA-N 0 3 266.305 -1.268 20 0 CAADHN NC(=O)CN1CCC[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001023657488 656049100 /nfs/dbraw/zinc/04/91/00/656049100.db2.gz QOKUBQJNHRARQG-QMMMGPOBSA-N 0 3 266.305 -1.268 20 0 CAADHN C[C@@H](O)CCN(C)S(=O)(=O)N1CCNCC1 ZINC000219794294 656053563 /nfs/dbraw/zinc/05/35/63/656053563.db2.gz XUVADMORIGIVSZ-SECBINFHSA-N 0 3 251.352 -1.161 20 0 CAADHN O=C(NC[C@@H]1CCCCN1CCO)[C@H]1CNC(=O)N1 ZINC001024628556 656054549 /nfs/dbraw/zinc/05/45/49/656054549.db2.gz SBXKJUVMOFLKPO-VHSXEESVSA-N 0 3 270.333 -1.369 20 0 CAADHN COCCN(C)CCN1C(=O)[C@H]2C[C@@H](O)CN2C1=O ZINC000924568076 656055318 /nfs/dbraw/zinc/05/53/18/656055318.db2.gz UYVMZFCYJLJJAC-NXEZZACHSA-N 0 3 271.317 -1.038 20 0 CAADHN NC(=O)CC(=O)N1CCCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001024906115 656055588 /nfs/dbraw/zinc/05/55/88/656055588.db2.gz SBKUMPJFWQQGDT-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@@H]1CN[C@@H]1CCC(=O)NC1=O ZINC001025063478 656056870 /nfs/dbraw/zinc/05/68/70/656056870.db2.gz GYRWERBKMQPYTK-RKDXNWHRSA-N 0 3 296.327 -1.752 20 0 CAADHN C[C@@H](CC(N)=O)NCCS(=O)(=O)N1CCOCC1 ZINC000311197416 656059203 /nfs/dbraw/zinc/05/92/03/656059203.db2.gz GWFJNMBAIIPYBA-VIFPVBQESA-N 0 3 279.362 -1.498 20 0 CAADHN COCC(=O)N1CC[C@H](NCC(=O)N2CCOCC2)C1 ZINC001018388739 656059316 /nfs/dbraw/zinc/05/93/16/656059316.db2.gz PIUAPLZURYPWLY-NSHDSACASA-N 0 3 285.344 -1.318 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2nccnc2N)C1)C(N)=O ZINC001018643603 656060700 /nfs/dbraw/zinc/06/07/00/656060700.db2.gz RQJZDZQEEBJHFP-YUMQZZPRSA-N 0 3 278.316 -1.263 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCN(C(=O)c3cnnn3C)C2)C1=O ZINC001018794849 656061461 /nfs/dbraw/zinc/06/14/61/656061461.db2.gz MTKBRPFHJGURQU-VHSXEESVSA-N 0 3 292.343 -1.150 20 0 CAADHN C[C@H]1CCN(CC(=O)N2C[C@@H](O)[C@H](NC(=O)C(N)=O)C2)C1 ZINC001025383581 656063437 /nfs/dbraw/zinc/06/34/37/656063437.db2.gz PLTHFTDRUYRXNF-IVZWLZJFSA-N 0 3 298.343 -2.499 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001018814223 656063847 /nfs/dbraw/zinc/06/38/47/656063847.db2.gz RCWOYSJNAPCABO-BDAKNGLRSA-N 0 3 280.332 -1.024 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001018814225 656064003 /nfs/dbraw/zinc/06/40/03/656064003.db2.gz RCWOYSJNAPCABO-IUCAKERBSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC000973533467 656064652 /nfs/dbraw/zinc/06/46/52/656064652.db2.gz DWRRGRBICOIULM-OPRDCNLKSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](NC(=O)C(N)=O)C2)C1 ZINC000973533589 656064782 /nfs/dbraw/zinc/06/47/82/656064782.db2.gz JXVUZEQMDCVASH-GUBZILKMSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)C(N)=O ZINC001018904696 656064839 /nfs/dbraw/zinc/06/48/39/656064839.db2.gz ARRMWURBBLDWMP-CBAPKCEASA-N 0 3 289.357 -1.905 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)C2CS(=O)(=O)C2)C1)C(N)=O ZINC001018904695 656064886 /nfs/dbraw/zinc/06/48/86/656064886.db2.gz ARRMWURBBLDWMP-APPZFPTMSA-N 0 3 289.357 -1.905 20 0 CAADHN C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H](NC(=O)C(N)=O)C1 ZINC000973533466 656064987 /nfs/dbraw/zinc/06/49/87/656064987.db2.gz DWRRGRBICOIULM-GUBZILKMSA-N 0 3 282.344 -1.281 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C[C@H]1CC(=O)NC1=O ZINC000935981626 656065249 /nfs/dbraw/zinc/06/52/49/656065249.db2.gz SHLBFCDTSYOWEC-YUMQZZPRSA-N 0 3 257.290 -1.922 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CN2CCCNC2=O)C1)C(N)=O ZINC001019086017 656065373 /nfs/dbraw/zinc/06/53/73/656065373.db2.gz HLJSAHHFSKCIOH-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN CCNS(=O)(=O)CCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924611822 656066831 /nfs/dbraw/zinc/06/68/31/656066831.db2.gz GWBFIYGJFGLSBU-QMMMGPOBSA-N 0 3 292.361 -1.592 20 0 CAADHN COC(=O)[C@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001025706225 656067010 /nfs/dbraw/zinc/06/70/10/656067010.db2.gz RIWISYVVMAFVKP-XXFSISAASA-N 0 3 268.313 -1.166 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001025708996 656067062 /nfs/dbraw/zinc/06/70/62/656067062.db2.gz DVPPXJGHUYVXMU-ULHKAFAUSA-N 0 3 292.339 -1.800 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CCOC1 ZINC001025698697 656067079 /nfs/dbraw/zinc/06/70/79/656067079.db2.gz BKMARVVXOQAQMU-GCHJQGSQSA-N 0 3 279.340 -1.042 20 0 CAADHN C[C@H]1C[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC(=O)N1 ZINC001025847922 656067997 /nfs/dbraw/zinc/06/79/97/656067997.db2.gz BRSFBZSCKBDNMF-HKLXJQGRSA-N 0 3 281.356 -1.060 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)c(=O)[nH]c1=O ZINC001019768357 656068544 /nfs/dbraw/zinc/06/85/44/656068544.db2.gz NMQZLRVKCYTIHJ-ZETCQYMHSA-N 0 3 295.299 -2.225 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCN(C(=O)Cn3cncn3)C2)C1=O ZINC001019746519 656068607 /nfs/dbraw/zinc/06/86/07/656068607.db2.gz FENDSOMJPMVOCJ-WDEREUQCSA-N 0 3 292.343 -1.301 20 0 CAADHN Cn1nnc(CN[C@H]2CCN(C(=O)CN3CCCC3)C2)n1 ZINC001019776041 656068692 /nfs/dbraw/zinc/06/86/92/656068692.db2.gz TTXJGPZTEMUWSZ-NSHDSACASA-N 0 3 293.375 -1.004 20 0 CAADHN Cn1ccc(C(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001019773632 656068851 /nfs/dbraw/zinc/06/88/51/656068851.db2.gz GZQLNZHQVUULHU-QMMMGPOBSA-N 0 3 251.290 -1.291 20 0 CAADHN NC(=O)CN[C@H]1C[C@H](NC(=O)CC2CS(=O)(=O)C2)C1 ZINC001020327338 656069863 /nfs/dbraw/zinc/06/98/63/656069863.db2.gz ZQJVIHQIVNQTQE-KYZUINATSA-N 0 3 289.357 -1.857 20 0 CAADHN NC(=O)[C@H]1CC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001025941252 656070204 /nfs/dbraw/zinc/07/02/04/656070204.db2.gz ZSFHZDDODCQKHN-OGBGREFGSA-N 0 3 267.329 -1.463 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CNC(=O)N1 ZINC001025994656 656070219 /nfs/dbraw/zinc/07/02/19/656070219.db2.gz YKVKWSUWWUYOCD-CVPUBMOQSA-N 0 3 293.327 -2.397 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@H]1CCNC1=O ZINC001025939484 656070297 /nfs/dbraw/zinc/07/02/97/656070297.db2.gz MELYUCVHFLSLEA-QUARPLMYSA-N 0 3 292.339 -1.943 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001025941253 656070423 /nfs/dbraw/zinc/07/04/23/656070423.db2.gz ZSFHZDDODCQKHN-XXFSISAASA-N 0 3 267.329 -1.463 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@H]1CCNC1=O ZINC001025939482 656070548 /nfs/dbraw/zinc/07/05/48/656070548.db2.gz MELYUCVHFLSLEA-FBDQPXRJSA-N 0 3 292.339 -1.943 20 0 CAADHN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001026061615 656070914 /nfs/dbraw/zinc/07/09/14/656070914.db2.gz PKJBVHYSYNHFJH-HMUNZLOLSA-N 0 3 281.356 -1.060 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001026141237 656071789 /nfs/dbraw/zinc/07/17/89/656071789.db2.gz DVPPXJGHUYVXMU-YXZBHFDYSA-N 0 3 292.339 -1.800 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cn[n-]n3)C[C@H]12 ZINC001026302292 656072737 /nfs/dbraw/zinc/07/27/37/656072737.db2.gz MARKAHHOAGPXAQ-HRDYMLBCSA-N 0 3 278.316 -1.270 20 0 CAADHN Cn1cc(C2=NC[C@H](CNC(CO)CO)O2)cn1 ZINC000930626762 656072980 /nfs/dbraw/zinc/07/29/80/656072980.db2.gz ZFOXKHFHSPIZAX-JTQLQIEISA-N 0 3 254.290 -1.492 20 0 CAADHN Cc1nnc(CN[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@@H]32)[nH]1 ZINC001026345320 656073288 /nfs/dbraw/zinc/07/32/88/656073288.db2.gz FHMQJAUTIFNOMH-LPEHRKFASA-N 0 3 292.343 -1.075 20 0 CAADHN Cc1nnc(CN[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)[nH]1 ZINC001026345318 656073313 /nfs/dbraw/zinc/07/33/13/656073313.db2.gz FHMQJAUTIFNOMH-IVZWLZJFSA-N 0 3 292.343 -1.075 20 0 CAADHN Cn1cnnc1CN[C@@H]1CC[C@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC001026347556 656073320 /nfs/dbraw/zinc/07/33/20/656073320.db2.gz XWFURIFRHGIFQM-LPEHRKFASA-N 0 3 292.343 -1.373 20 0 CAADHN Cn1cc(CN[C@@H]2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)nn1 ZINC001026345248 656073573 /nfs/dbraw/zinc/07/35/73/656073573.db2.gz DOLGHWARGRHQIS-JMJZKYOTSA-N 0 3 292.343 -1.373 20 0 CAADHN CC(C)OC(=O)CNS(=O)(=O)N1CCNCC1 ZINC000312256220 656073580 /nfs/dbraw/zinc/07/35/80/656073580.db2.gz KYDHMCDIRMIBKV-UHFFFAOYSA-N 0 3 265.335 -1.322 20 0 CAADHN Cn1ncnc1CN[C@@H]1CC[C@H]2CN(C(=O)C(N)=O)C[C@@H]21 ZINC001026345356 656073594 /nfs/dbraw/zinc/07/35/94/656073594.db2.gz FPPHPBHCRANBNR-LPEHRKFASA-N 0 3 292.343 -1.373 20 0 CAADHN Cn1cc(CN[C@@H]2CC[C@@H]3CN(C(=O)C(N)=O)C[C@@H]23)nn1 ZINC001026345246 656073710 /nfs/dbraw/zinc/07/37/10/656073710.db2.gz DOLGHWARGRHQIS-FBIMIBRVSA-N 0 3 292.343 -1.373 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)C(N)=O)CCN1CCN1CCNC1=O ZINC000947676399 656074473 /nfs/dbraw/zinc/07/44/73/656074473.db2.gz WFZLTFSEDLPNTB-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCN(C[C@@H]2CCNC(=O)CC2)C1 ZINC001008371644 656075988 /nfs/dbraw/zinc/07/59/88/656075988.db2.gz LWDHTDGGSSDCLY-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@H](CC(N)=O)NCCS(=O)(=O)N1CCOCC1 ZINC000311197414 656076571 /nfs/dbraw/zinc/07/65/71/656076571.db2.gz GWFJNMBAIIPYBA-SECBINFHSA-N 0 3 279.362 -1.498 20 0 CAADHN O=C(c1cn[n-]n1)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001026935690 656078514 /nfs/dbraw/zinc/07/85/14/656078514.db2.gz RHVHBKSHOHNSRR-RKDXNWHRSA-N 0 3 278.316 -1.255 20 0 CAADHN NC(=O)C(=O)N1CC[C@H](CNCc2cnns2)C1 ZINC001027034187 656079058 /nfs/dbraw/zinc/07/90/58/656079058.db2.gz XQABFYLNDOJFBX-SSDOTTSWSA-N 0 3 269.330 -1.039 20 0 CAADHN C[C@H](NC[C@@H]1CCN(C(=O)C(N)=O)C1)c1nncn1C ZINC001027033919 656079075 /nfs/dbraw/zinc/07/90/75/656079075.db2.gz REMHMNGBXKOXQV-IUCAKERBSA-N 0 3 280.332 -1.201 20 0 CAADHN C[C@@H](NC[C@H]1CCN(C(=O)C(N)=O)C1)c1nncn1C ZINC001027033920 656079190 /nfs/dbraw/zinc/07/91/90/656079190.db2.gz REMHMNGBXKOXQV-RKDXNWHRSA-N 0 3 280.332 -1.201 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027129629 656080607 /nfs/dbraw/zinc/08/06/07/656080607.db2.gz FGQLLYZMQHHSLX-DTWKUNHWSA-N 0 3 278.316 -1.255 20 0 CAADHN O=C(CCCNS(=O)(=O)N1CCNCC1)NC1CC1 ZINC000092998025 656080690 /nfs/dbraw/zinc/08/06/90/656080690.db2.gz LZWFDPZDVCPPQA-UHFFFAOYSA-N 0 3 290.389 -1.215 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001027129630 656080695 /nfs/dbraw/zinc/08/06/95/656080695.db2.gz FGQLLYZMQHHSLX-IUCAKERBSA-N 0 3 278.316 -1.255 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001027129631 656080893 /nfs/dbraw/zinc/08/08/93/656080893.db2.gz FGQLLYZMQHHSLX-RKDXNWHRSA-N 0 3 278.316 -1.255 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC000977094346 656086932 /nfs/dbraw/zinc/08/69/32/656086932.db2.gz IHZUHOHOGFFUGD-JZYVYDRUSA-N 0 3 280.328 -1.860 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C(N)=O)C1 ZINC000977091791 656086984 /nfs/dbraw/zinc/08/69/84/656086984.db2.gz LAGNDCIGSFPQTQ-SVDPJWKOSA-N 0 3 294.355 -1.614 20 0 CAADHN C[C@H](NCc1cncn1C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979356681 656094586 /nfs/dbraw/zinc/09/45/86/656094586.db2.gz JCNWNOUNMSLLIB-GXSJLCMTSA-N 0 3 295.343 -1.389 20 0 CAADHN C[C@@H](NCc1ccnn1C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979358854 656094630 /nfs/dbraw/zinc/09/46/30/656094630.db2.gz MSXCTPOLWQWVFH-MWLCHTKSSA-N 0 3 295.343 -1.389 20 0 CAADHN Cc1nc(CN[C@@H](C)[C@@H]2CN(C(=O)C(N)=O)CCO2)n[nH]1 ZINC000979354951 656094725 /nfs/dbraw/zinc/09/47/25/656094725.db2.gz FETOTPKRBWCJIZ-CBAPKCEASA-N 0 3 296.331 -1.696 20 0 CAADHN C[C@H](NCc1cnn(C)c1)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979365719 656094856 /nfs/dbraw/zinc/09/48/56/656094856.db2.gz ZPCALCUPWWKYKK-GXSJLCMTSA-N 0 3 295.343 -1.389 20 0 CAADHN C[C@@H](NCc1cncn1C)[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC000979356703 656095221 /nfs/dbraw/zinc/09/52/21/656095221.db2.gz JCNWNOUNMSLLIB-MWLCHTKSSA-N 0 3 295.343 -1.389 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@@H]2CCCN2CCO)C1 ZINC001027806054 656095381 /nfs/dbraw/zinc/09/53/81/656095381.db2.gz CEEKOJVTANQCJW-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NC[C@H]1CCCN1CCO ZINC001027835302 656096371 /nfs/dbraw/zinc/09/63/71/656096371.db2.gz ZFWDETXUQGKQEO-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN NC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@H]2C1 ZINC000980168840 656097972 /nfs/dbraw/zinc/09/79/72/656097972.db2.gz VKJMOKCOYQXEFU-XHNCKOQMSA-N 0 3 268.317 -1.826 20 0 CAADHN NC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)C(N)=O)C[C@@H]2C1 ZINC000980168836 656098207 /nfs/dbraw/zinc/09/82/07/656098207.db2.gz VKJMOKCOYQXEFU-DJLDLDEBSA-N 0 3 268.317 -1.826 20 0 CAADHN CCOC(=O)[C@H]1NCC[C@H]1NCCN1CCNC1=O ZINC000925776099 656099222 /nfs/dbraw/zinc/09/92/22/656099222.db2.gz CUGIZBVCYLUFRN-ZJUUUORDSA-N 0 3 270.333 -1.105 20 0 CAADHN C[C@H](O)CCN(C)S(=O)(=O)N1CCNCC1 ZINC000219794365 656101387 /nfs/dbraw/zinc/10/13/87/656101387.db2.gz XUVADMORIGIVSZ-VIFPVBQESA-N 0 3 251.352 -1.161 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)CN2CN=NC2=O)CC1 ZINC000981015836 656102168 /nfs/dbraw/zinc/10/21/68/656102168.db2.gz JJYBENKUQPCLRL-SNVBAGLBSA-N 0 3 283.332 -1.101 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981171627 656102452 /nfs/dbraw/zinc/10/24/52/656102452.db2.gz OUYSQIGGUQZCMJ-JTQLQIEISA-N 0 3 268.321 -1.412 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)Cn2ncnn2)CC1 ZINC000981171628 656102922 /nfs/dbraw/zinc/10/29/22/656102922.db2.gz OUYSQIGGUQZCMJ-SNVBAGLBSA-N 0 3 268.321 -1.412 20 0 CAADHN CN1C[C@@H](C(=O)NC[C@H]2CCCN2CCO)NC1=O ZINC001028069045 656103300 /nfs/dbraw/zinc/10/33/00/656103300.db2.gz AGEHLNQQEZLTOJ-ZJUUUORDSA-N 0 3 270.333 -1.417 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@H]1CCNC1=O ZINC001028072823 656103314 /nfs/dbraw/zinc/10/33/14/656103314.db2.gz NUIBPKWTJVOEIW-ZJUUUORDSA-N 0 3 255.318 -1.305 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@H]1CCNC1=O ZINC001028072821 656103520 /nfs/dbraw/zinc/10/35/20/656103520.db2.gz NUIBPKWTJVOEIW-UWVGGRQHSA-N 0 3 255.318 -1.305 20 0 CAADHN C[C@H](O)CN1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC001028078109 656104321 /nfs/dbraw/zinc/10/43/21/656104321.db2.gz CJUTWEPOJRXKQV-IUCAKERBSA-N 0 3 268.321 -1.215 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000981358763 656104690 /nfs/dbraw/zinc/10/46/90/656104690.db2.gz VEKZSSYFAGQMJV-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2nnc[n-]2)C1 ZINC000981447770 656104841 /nfs/dbraw/zinc/10/48/41/656104841.db2.gz NAPJMKWMGFHVMP-RKDXNWHRSA-N 0 3 280.332 -1.151 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC000981358762 656104898 /nfs/dbraw/zinc/10/48/98/656104898.db2.gz VEKZSSYFAGQMJV-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN NC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2nnc[n-]2)C1 ZINC000981447768 656105112 /nfs/dbraw/zinc/10/51/12/656105112.db2.gz NAPJMKWMGFHVMP-IUCAKERBSA-N 0 3 280.332 -1.151 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)[C@H]1CNC(=O)N1 ZINC001028109958 656105442 /nfs/dbraw/zinc/10/54/42/656105442.db2.gz QFOLFRZIOHEPJT-DTWKUNHWSA-N 0 3 256.306 -1.759 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)c1c[nH]c(=O)cn1 ZINC001028104797 656105712 /nfs/dbraw/zinc/10/57/12/656105712.db2.gz MONBUAFWGVYBDX-VIFPVBQESA-N 0 3 266.301 -1.044 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)Cn2ncn(C)c2=O)CC1 ZINC000981502919 656105769 /nfs/dbraw/zinc/10/57/69/656105769.db2.gz BQCCTTAQMPRRPP-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN O=C(CN1CN=NC1=O)N1CC2(C1)CCCN(CCO)C2 ZINC000981725104 656106636 /nfs/dbraw/zinc/10/66/36/656106636.db2.gz IQSDIPZHVWGKLQ-UHFFFAOYSA-N 0 3 295.343 -1.100 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)CN2CCNC(=O)C2)CC1 ZINC000981742391 656106695 /nfs/dbraw/zinc/10/66/95/656106695.db2.gz CNIRRQNWTCHZDJ-LBPRGKRZSA-N 0 3 298.387 -1.667 20 0 CAADHN NC(=O)CC(=O)N1CC2(C1)CCCN(CCO)C2 ZINC000981678343 656106895 /nfs/dbraw/zinc/10/68/95/656106895.db2.gz SZKWQALXIJFYND-UHFFFAOYSA-N 0 3 255.318 -1.222 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)[C@H]1CNC(=O)N1 ZINC001028111834 656106929 /nfs/dbraw/zinc/10/69/29/656106929.db2.gz YSONQSYJPSEQHK-NXEZZACHSA-N 0 3 270.333 -1.105 20 0 CAADHN O=C(CN1CCNC(=O)C1)N1CCCN(CCCO)CC1 ZINC000981742392 656106982 /nfs/dbraw/zinc/10/69/82/656106982.db2.gz COODXGSLGFCMKU-UHFFFAOYSA-N 0 3 298.387 -1.665 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1CCO ZINC001028140425 656107295 /nfs/dbraw/zinc/10/72/95/656107295.db2.gz OCUKNRBACZUMQG-BBBLOLIVSA-N 0 3 255.318 -1.319 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)[C@@H]2CNC(=O)N2)CC1 ZINC000981852851 656108303 /nfs/dbraw/zinc/10/83/03/656108303.db2.gz INSZIYFENIOEQK-ZJUUUORDSA-N 0 3 270.333 -1.417 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1CC2(C1)CCCN(CCO)C2 ZINC000981976358 656109135 /nfs/dbraw/zinc/10/91/35/656109135.db2.gz QTRGUDGWXUDKOP-SNVBAGLBSA-N 0 3 282.344 -1.416 20 0 CAADHN NC(=O)C(=O)N1CC2(C1)CCCN(CCn1cncn1)C2 ZINC000981979356 656109326 /nfs/dbraw/zinc/10/93/26/656109326.db2.gz UJOQYYMHYBTVQR-UHFFFAOYSA-N 0 3 292.343 -1.312 20 0 CAADHN CCNS(=O)(=O)CCNC(=O)CNCCOC ZINC000226338448 656109605 /nfs/dbraw/zinc/10/96/05/656109605.db2.gz UOZLLICDLGDWAF-UHFFFAOYSA-N 0 3 267.351 -1.722 20 0 CAADHN NC(=O)CN1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000982038214 656109988 /nfs/dbraw/zinc/10/99/88/656109988.db2.gz DYNPAMMDYSDVQR-UHFFFAOYSA-N 0 3 265.317 -1.028 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCO)C1CC(=O)NC(=O)C1 ZINC001028198121 656110082 /nfs/dbraw/zinc/11/00/82/656110082.db2.gz YOHHHXSNOVMCIP-JTQLQIEISA-N 0 3 283.328 -1.388 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)C1CC(=O)NC(=O)C1 ZINC001028198122 656110240 /nfs/dbraw/zinc/11/02/40/656110240.db2.gz YOHHHXSNOVMCIP-SNVBAGLBSA-N 0 3 283.328 -1.388 20 0 CAADHN C[C@H](O)CN1CCCN(C(=O)CN2CC(=O)NC2=O)CC1 ZINC000982238264 656111047 /nfs/dbraw/zinc/11/10/47/656111047.db2.gz YPZJCUIWCZEFNW-JTQLQIEISA-N 0 3 298.343 -1.547 20 0 CAADHN O=C(CCn1cnnn1)N1CC2(C1)CCCN(CCO)C2 ZINC000982083391 656111123 /nfs/dbraw/zinc/11/11/23/656111123.db2.gz JVOSEHCXFVUJKC-UHFFFAOYSA-N 0 3 294.359 -1.020 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)NC[C@@H]2CCCN2CCO)C1 ZINC001028294792 656112527 /nfs/dbraw/zinc/11/25/27/656112527.db2.gz IJYWGHBHEASDLE-QWHCGFSZSA-N 0 3 299.371 -1.193 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)NC[C@H]2CCCN2CCO)C1 ZINC001028294791 656112646 /nfs/dbraw/zinc/11/26/46/656112646.db2.gz IJYWGHBHEASDLE-OLZOCXBDSA-N 0 3 299.371 -1.193 20 0 CAADHN Cn1nc(C(=O)NC[C@H]2CCCN2CCO)ccc1=O ZINC001028304636 656112767 /nfs/dbraw/zinc/11/27/67/656112767.db2.gz WCGPBSJHCJFSER-SNVBAGLBSA-N 0 3 280.328 -1.033 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@@H]1CCS(=O)(=O)N1 ZINC001028324994 656113492 /nfs/dbraw/zinc/11/34/92/656113492.db2.gz GMEACQAQPLEPKA-ZJUUUORDSA-N 0 3 291.373 -1.749 20 0 CAADHN CC(=O)NC[C@H]1CCN(C[C@@H](O)CN2C(=O)CCC2=O)C1 ZINC001028359720 656114028 /nfs/dbraw/zinc/11/40/28/656114028.db2.gz UTKIUQKLHRGICP-VXGBXAGGSA-N 0 3 297.355 -1.046 20 0 CAADHN CC(=O)NC[C@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC001028358957 656114160 /nfs/dbraw/zinc/11/41/60/656114160.db2.gz IVWOKEIMONFKFX-SNVBAGLBSA-N 0 3 268.317 -1.004 20 0 CAADHN C[C@@H](O)CN1CCCN(C(=O)CCn2cnnn2)CC1 ZINC000982660822 656116943 /nfs/dbraw/zinc/11/69/43/656116943.db2.gz XQARFVIQHXMCLN-LLVKDONJSA-N 0 3 282.348 -1.022 20 0 CAADHN COC(=O)NCCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000924916894 656117558 /nfs/dbraw/zinc/11/75/58/656117558.db2.gz JERDRXAGRUYSCY-SSDOTTSWSA-N 0 3 258.278 -1.176 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N([C@H]2CCc3nnnn3CC2)C1=O ZINC000924947505 656118958 /nfs/dbraw/zinc/11/89/58/656118958.db2.gz RGDYXROIRAKPRG-IUCAKERBSA-N 0 3 293.331 -1.140 20 0 CAADHN CN1C[C@H](O)C[C@@H]1CNC(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC000924973722 656121228 /nfs/dbraw/zinc/12/12/28/656121228.db2.gz FNXFFUXASMJQNT-PRULPYPASA-N 0 3 271.361 -1.377 20 0 CAADHN CN1C[C@H](O)C[C@@H]1CNC(=O)[C@]1(C)C[C@@H](O)CN1C ZINC000924973723 656121766 /nfs/dbraw/zinc/12/17/66/656121766.db2.gz FNXFFUXASMJQNT-UZWSLXQKSA-N 0 3 271.361 -1.377 20 0 CAADHN C[C@@H](C(=O)NCCN(C)CCO)N1C(=O)CCC1=O ZINC000925007839 656122788 /nfs/dbraw/zinc/12/27/88/656122788.db2.gz BZRSWDXSLXVRIE-VIFPVBQESA-N 0 3 271.317 -1.436 20 0 CAADHN CN(CCO)CCNC(=O)[C@@H](O)C1CCOCC1 ZINC000925006723 656123121 /nfs/dbraw/zinc/12/31/21/656123121.db2.gz AUQNYSXOMHEXHG-NSHDSACASA-N 0 3 260.334 -1.186 20 0 CAADHN CN(C)C(=O)CN1CC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001028876817 656123293 /nfs/dbraw/zinc/12/32/93/656123293.db2.gz JICXSEMYTGMYFO-SECBINFHSA-N 0 3 280.332 -1.055 20 0 CAADHN C[C@H](C(N)=O)N1CC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001028877035 656123393 /nfs/dbraw/zinc/12/33/93/656123393.db2.gz NAYZCTRQBXDDEV-SFYZADRCSA-N 0 3 266.305 -1.270 20 0 CAADHN CON(C)C(=O)[C@@H](C)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000925030876 656123985 /nfs/dbraw/zinc/12/39/85/656123985.db2.gz KVWZCWZQOILIBB-SFYZADRCSA-N 0 3 272.305 -1.123 20 0 CAADHN C[C@H]1[C@@H](NC(=O)CNS(=O)(=O)N(C)C)CCN1C ZINC000928437657 656124623 /nfs/dbraw/zinc/12/46/23/656124623.db2.gz RTFIALLMLUMGOI-IUCAKERBSA-N 0 3 278.378 -1.409 20 0 CAADHN C[C@H]1[C@@H](NC(=O)CN2C(=O)C(=O)N(C)C2=O)CCN1C ZINC000928447841 656124649 /nfs/dbraw/zinc/12/46/49/656124649.db2.gz LOEBYEBPGYGMHU-YUMQZZPRSA-N 0 3 282.300 -1.384 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928438134 656124688 /nfs/dbraw/zinc/12/46/88/656124688.db2.gz SOUGJOQPKOUIFL-JGVFFNPUSA-N 0 3 264.351 -1.751 20 0 CAADHN CNS(=O)(=O)NCC(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928438138 656124971 /nfs/dbraw/zinc/12/49/71/656124971.db2.gz SOUGJOQPKOUIFL-YUMQZZPRSA-N 0 3 264.351 -1.751 20 0 CAADHN C[C@@H]1[C@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)CCN1C ZINC000928440531 656125045 /nfs/dbraw/zinc/12/50/45/656125045.db2.gz BIEJCYXKYRNJFE-PSASIEDQSA-N 0 3 280.328 -1.094 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CS(C)(=O)=O ZINC000986040543 656135347 /nfs/dbraw/zinc/13/53/47/656135347.db2.gz KTUYLZUJBJYYAQ-SFYZADRCSA-N 0 3 277.346 -1.905 20 0 CAADHN O=C(Cc1nnc[n-]1)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000985022445 656130099 /nfs/dbraw/zinc/13/00/99/656130099.db2.gz XVGXXTKQXVCPQD-OPRDCNLKSA-N 0 3 292.343 -1.280 20 0 CAADHN C[C@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)C1 ZINC000937567113 656130129 /nfs/dbraw/zinc/13/01/29/656130129.db2.gz KOTULDXFWUNNEY-DCAQKATOSA-N 0 3 294.355 -1.375 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C(N)=O)C1 ZINC000937567114 656130261 /nfs/dbraw/zinc/13/02/61/656130261.db2.gz KOTULDXFWUNNEY-VWYCJHECSA-N 0 3 294.355 -1.375 20 0 CAADHN CN([C@@H]1CCNC1=O)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985346446 656131295 /nfs/dbraw/zinc/13/12/95/656131295.db2.gz FARPNMUGLPQYNQ-SNVBAGLBSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC000985254957 656131359 /nfs/dbraw/zinc/13/13/59/656131359.db2.gz WXJJFMCZGQFHAP-VIFPVBQESA-N 0 3 295.347 -1.530 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC000985410002 656132326 /nfs/dbraw/zinc/13/23/26/656132326.db2.gz BNSRQNLDNAJFDX-WPRPVWTQSA-N 0 3 298.343 -1.109 20 0 CAADHN CN(C[C@H]1CCN(C(=O)CC(N)=O)C1)[C@@H]1CCCNC1=O ZINC001029681830 656132398 /nfs/dbraw/zinc/13/23/98/656132398.db2.gz NJRMLJMKGLAFEH-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2COC(=O)N2)CC1 ZINC000985410001 656132477 /nfs/dbraw/zinc/13/24/77/656132477.db2.gz BNSRQNLDNAJFDX-WCBMZHEXSA-N 0 3 298.343 -1.109 20 0 CAADHN C[C@H](C(N)=O)N(C)C1CCN(C(=O)[C@H]2CCNC2=O)CC1 ZINC000985577404 656133256 /nfs/dbraw/zinc/13/32/56/656133256.db2.gz ODBHCQDFSZAKNH-KOLCDFICSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C[C@H]1CCN(C(=O)C(N)=O)C1)[C@@H]1CCNC1=O ZINC001029823410 656133392 /nfs/dbraw/zinc/13/33/92/656133392.db2.gz SWWJYLLGLXLHLQ-RKDXNWHRSA-N 0 3 268.317 -1.860 20 0 CAADHN CN(C[C@H]1CCN(C(=O)C(N)=O)C1)[C@@H]1CCCNC1=O ZINC001029822253 656133547 /nfs/dbraw/zinc/13/35/47/656133547.db2.gz ADJCVNFCQNOYCK-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C[C@@H]1CCN(C(=O)C(N)=O)C1)[C@H]1CCCN(C)C1=O ZINC001029823124 656133615 /nfs/dbraw/zinc/13/36/15/656133615.db2.gz QIFFHDKQWKWVFC-QWRGUYRKSA-N 0 3 296.371 -1.127 20 0 CAADHN CCN1CC[C@@H](N(C)C[C@@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001029824043 656133756 /nfs/dbraw/zinc/13/37/56/656133756.db2.gz BNQHLENMWMCRRW-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN CCN1CC[C@H](N(C)C[C@@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001029824042 656133979 /nfs/dbraw/zinc/13/39/79/656133979.db2.gz BNQHLENMWMCRRW-QWRGUYRKSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H](C(N)=O)N(C)C1CCN(C(=O)C(N)=O)CC1 ZINC000985612818 656134017 /nfs/dbraw/zinc/13/40/17/656134017.db2.gz JZHUNDSWSCLCEY-ZETCQYMHSA-N 0 3 256.306 -1.732 20 0 CAADHN CN(CC(=O)N1CCC1)C1CCN(C(=O)C(N)=O)CC1 ZINC000985618814 656134604 /nfs/dbraw/zinc/13/46/04/656134604.db2.gz XCZUEKXBGYBYLG-UHFFFAOYSA-N 0 3 282.344 -1.373 20 0 CAADHN CN(CC(N)=O)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000985707844 656134660 /nfs/dbraw/zinc/13/46/60/656134660.db2.gz AZPYTEQTKFYTQU-UHFFFAOYSA-N 0 3 266.305 -1.174 20 0 CAADHN CN([C@H]1CCN(C)C1=O)C1CCN(C(=O)C(N)=O)CC1 ZINC000985619712 656134812 /nfs/dbraw/zinc/13/48/12/656134812.db2.gz JTEAKPXSWJZESK-JTQLQIEISA-N 0 3 282.344 -1.375 20 0 CAADHN CC(=O)N1CC[C@H](NCC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000985863270 656135044 /nfs/dbraw/zinc/13/50/44/656135044.db2.gz WLAPSCWWYVCTAN-KOLCDFICSA-N 0 3 282.344 -1.456 20 0 CAADHN CCC(=O)N1CC[C@@H](NCC(=O)N2CCNC(=O)C2)[C@H]1C ZINC000985852020 656135090 /nfs/dbraw/zinc/13/50/90/656135090.db2.gz ZYEWTGNRFQHNHU-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC000985931638 656135110 /nfs/dbraw/zinc/13/51/10/656135110.db2.gz OGOMIJFXAMBFNP-HTQZYQBOSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CS(C)(=O)=O ZINC000986040541 656135116 /nfs/dbraw/zinc/13/51/16/656135116.db2.gz KTUYLZUJBJYYAQ-JGVFFNPUSA-N 0 3 277.346 -1.905 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cc[n+]([O-])cc1 ZINC000985921127 656135153 /nfs/dbraw/zinc/13/51/53/656135153.db2.gz LKFTUAIZKSNVII-ONGXEEELSA-N 0 3 278.312 -1.002 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CS(C)(=O)=O ZINC000986040535 656135186 /nfs/dbraw/zinc/13/51/86/656135186.db2.gz KTUYLZUJBJYYAQ-HTQZYQBOSA-N 0 3 277.346 -1.905 20 0 CAADHN CCC(=O)N1CC[C@@H](NCC(=O)N2CCNC(=O)C2)[C@@H]1C ZINC000985852032 656135302 /nfs/dbraw/zinc/13/53/02/656135302.db2.gz ZYEWTGNRFQHNHU-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CCn1cncn1 ZINC000986004988 656135310 /nfs/dbraw/zinc/13/53/10/656135310.db2.gz SELYVTGNWUJFRL-NXEZZACHSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCn1cncn1 ZINC000986005016 656135328 /nfs/dbraw/zinc/13/53/28/656135328.db2.gz SELYVTGNWUJFRL-ZJUUUORDSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCn1cncn1 ZINC000986005005 656135339 /nfs/dbraw/zinc/13/53/39/656135339.db2.gz SELYVTGNWUJFRL-VHSXEESVSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@H]1[C@H](NCC(=O)N2CCC2)CCN1C(=O)CC(N)=O ZINC000986111907 656135585 /nfs/dbraw/zinc/13/55/85/656135585.db2.gz NIGIWZHCFCSMDI-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1nccnc1N ZINC000986070379 656135774 /nfs/dbraw/zinc/13/57/74/656135774.db2.gz PTIVFORJNMJKGR-YUMQZZPRSA-N 0 3 278.316 -1.263 20 0 CAADHN Cc1c(C(=O)N2CC[C@@H](NCC(N)=O)[C@H]2C)nnn1C ZINC000986102998 656136028 /nfs/dbraw/zinc/13/60/28/656136028.db2.gz JEVWPECXTQZUNX-VXNVDRBHSA-N 0 3 280.332 -1.199 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CCOCC1 ZINC000986177732 656136080 /nfs/dbraw/zinc/13/60/80/656136080.db2.gz ROYPOMUFLMFUHQ-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCn1ccnn1 ZINC000986209033 656136123 /nfs/dbraw/zinc/13/61/23/656136123.db2.gz QTDYRXYYXZTARD-UWVGGRQHSA-N 0 3 280.332 -1.268 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)[nH]1 ZINC000986249104 656136150 /nfs/dbraw/zinc/13/61/50/656136150.db2.gz CSIINKPGAGCNCE-CBAPKCEASA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CN=NC1=O ZINC000986181205 656136169 /nfs/dbraw/zinc/13/61/69/656136169.db2.gz FYGCDDMIALEVFK-HTQZYQBOSA-N 0 3 282.304 -1.952 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](NCC(N)=O)[C@@H]2C)[nH]1 ZINC000986249109 656136211 /nfs/dbraw/zinc/13/62/11/656136211.db2.gz CSIINKPGAGCNCE-IONNQARKSA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cnnn1C ZINC000986239845 656136218 /nfs/dbraw/zinc/13/62/18/656136218.db2.gz FPXGWRBOZITFEK-YUMQZZPRSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cc(=O)n(C)o1 ZINC000986222815 656136226 /nfs/dbraw/zinc/13/62/26/656136226.db2.gz YOAGRVMHRIGHAS-YUMQZZPRSA-N 0 3 282.300 -1.344 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CCOCC1 ZINC000986177735 656136268 /nfs/dbraw/zinc/13/62/68/656136268.db2.gz ROYPOMUFLMFUHQ-WDEREUQCSA-N 0 3 284.360 -1.617 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](NCC(N)=O)[C@H]2C)[nH]1 ZINC000986249099 656136328 /nfs/dbraw/zinc/13/63/28/656136328.db2.gz CSIINKPGAGCNCE-APPZFPTMSA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CCOCC1 ZINC000986177725 656136344 /nfs/dbraw/zinc/13/63/44/656136344.db2.gz ROYPOMUFLMFUHQ-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cnnn1C ZINC000986239839 656136364 /nfs/dbraw/zinc/13/63/64/656136364.db2.gz FPXGWRBOZITFEK-SFYZADRCSA-N 0 3 266.305 -1.507 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@@H](NCC(N)=O)[C@@H]2C)C1 ZINC000986207018 656136437 /nfs/dbraw/zinc/13/64/37/656136437.db2.gz LOVVUQPYYPQEOD-GZMMTYOYSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@H]1[C@H](NCCF)CCN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000986293805 656136492 /nfs/dbraw/zinc/13/64/92/656136492.db2.gz QSWPMPDGVHDSCC-DTWKUNHWSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1CCOCC1=O ZINC000986360438 656136727 /nfs/dbraw/zinc/13/67/27/656136727.db2.gz XMOPEXVCXDTUHZ-ZJUUUORDSA-N 0 3 298.343 -2.091 20 0 CAADHN C[C@@H]1[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cnc[n-]c1=O ZINC000986406284 656136802 /nfs/dbraw/zinc/13/68/02/656136802.db2.gz DWXTWHXISFLCGQ-APPZFPTMSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@@H]1[C@H]([NH2+]CC(N)=O)CCN1C(=O)c1cnc[n-]c1=O ZINC000986406289 656136827 /nfs/dbraw/zinc/13/68/27/656136827.db2.gz DWXTWHXISFLCGQ-VXNVDRBHSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1nccn1 ZINC000986330317 656136847 /nfs/dbraw/zinc/13/68/47/656136847.db2.gz CHJVXNYNKJVBFS-IUCAKERBSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)C1CS(=O)(=O)C1 ZINC000986301138 656136885 /nfs/dbraw/zinc/13/68/85/656136885.db2.gz KHZSLUBMMCGEIG-IONNQARKSA-N 0 3 289.357 -1.905 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)C1CS(=O)(=O)C1 ZINC000986301136 656136970 /nfs/dbraw/zinc/13/69/70/656136970.db2.gz KHZSLUBMMCGEIG-APPZFPTMSA-N 0 3 289.357 -1.905 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CCCNC1=O ZINC000986483403 656137172 /nfs/dbraw/zinc/13/71/72/656137172.db2.gz QIVPFYMREHCGBT-NXEZZACHSA-N 0 3 297.359 -1.534 20 0 CAADHN CCn1cc(CC(=O)N2CC[C@H](NCC(N)=O)[C@H]2C)nn1 ZINC000986598742 656137578 /nfs/dbraw/zinc/13/75/78/656137578.db2.gz CGTASQUFZWBFHX-KOLCDFICSA-N 0 3 294.359 -1.095 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CN1CCNC(=O)C1 ZINC000986670891 656137607 /nfs/dbraw/zinc/13/76/07/656137607.db2.gz MBLVCGFPCSENMZ-VHSXEESVSA-N 0 3 297.359 -2.518 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1c[nH]c(=O)n1C ZINC000986664081 656137635 /nfs/dbraw/zinc/13/76/35/656137635.db2.gz ODHOVINMZOUIQD-HTQZYQBOSA-N 0 3 281.316 -1.196 20 0 CAADHN CC(C)(O)C[C@H](O)CNCC(=O)N1CCOCC1 ZINC000872205798 656137648 /nfs/dbraw/zinc/13/76/48/656137648.db2.gz MBKIOXFTMCUIOC-JTQLQIEISA-N 0 3 260.334 -1.043 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000986674833 656137686 /nfs/dbraw/zinc/13/76/86/656137686.db2.gz GOYRVSJFHUUGCF-RWHSBRQSSA-N 0 3 267.329 -1.057 20 0 CAADHN C[C@H]1[C@H](NCC(=O)N2CCCC2)CCN1C(=O)C(N)=O ZINC000986780026 656138100 /nfs/dbraw/zinc/13/81/00/656138100.db2.gz OIAGZBRLZKNARB-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cn(C)c(=O)[nH]1 ZINC000986856220 656138490 /nfs/dbraw/zinc/13/84/90/656138490.db2.gz QZOLEVUOFYLJMT-SFYZADRCSA-N 0 3 281.316 -1.196 20 0 CAADHN CN(CC1CCN(C(=O)C(N)=O)CC1)[C@@H]1CCN(C)C1=O ZINC001029991909 656138655 /nfs/dbraw/zinc/13/86/55/656138655.db2.gz ZKCQACHOYIJBPO-LLVKDONJSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1ccc(C(N)=O)[nH]1 ZINC000986987834 656139169 /nfs/dbraw/zinc/13/91/69/656139169.db2.gz SMWOJZIIWHNPFT-YUMQZZPRSA-N 0 3 293.327 -1.209 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@@H](NCC(N)=O)[C@H]1C ZINC000987280120 656139978 /nfs/dbraw/zinc/13/99/78/656139978.db2.gz MRJGUVQQWVDBGP-RKDXNWHRSA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1)C(N)=O ZINC001030017110 656140178 /nfs/dbraw/zinc/14/01/78/656140178.db2.gz HUQOMQKAKPSLGJ-KXUCPTDWSA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1ccc(=O)n(C)n1 ZINC000987471920 656140537 /nfs/dbraw/zinc/14/05/37/656140537.db2.gz CDKICINSDDXAGS-BDAKNGLRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@H]1[C@@H](NCCF)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576779 656140550 /nfs/dbraw/zinc/14/05/50/656140550.db2.gz PWHKHMVOPPCKGK-IUCAKERBSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1c[nH]c(C(N)=O)c1 ZINC000987520890 656140570 /nfs/dbraw/zinc/14/05/70/656140570.db2.gz UDUDHBQRFSIKFO-APPZFPTMSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1C(=O)CCC1=O ZINC000987497783 656140650 /nfs/dbraw/zinc/14/06/50/656140650.db2.gz RLAGEGGPFDTVFN-IUCAKERBSA-N 0 3 296.327 -1.800 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)Cn1ccccc1=O ZINC000987493589 656140665 /nfs/dbraw/zinc/14/06/65/656140665.db2.gz OYFIDIKVPAIILP-MNOVXSKESA-N 0 3 292.339 -1.087 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1cncn1 ZINC000987470254 656140716 /nfs/dbraw/zinc/14/07/16/656140716.db2.gz DTKUWLXCLZLSPI-DTWKUNHWSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)Cn1cncn1 ZINC000987470256 656140724 /nfs/dbraw/zinc/14/07/24/656140724.db2.gz DTKUWLXCLZLSPI-RKDXNWHRSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)CN1C(=O)CNC1=O ZINC000987481588 656140729 /nfs/dbraw/zinc/14/07/29/656140729.db2.gz JRIYOYSRLJISMR-SFYZADRCSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H]1[C@@H](NCCF)CCN1C(=O)c1cn(CC(N)=O)nn1 ZINC000987576776 656140782 /nfs/dbraw/zinc/14/07/82/656140782.db2.gz PWHKHMVOPPCKGK-BDAKNGLRSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cn(C)c(=O)n1C ZINC000987582598 656141153 /nfs/dbraw/zinc/14/11/53/656141153.db2.gz ZBDYXIJAYKRKPU-IUCAKERBSA-N 0 3 295.343 -1.598 20 0 CAADHN COCC(=O)N1C[C@H](NCc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC000987655399 656141216 /nfs/dbraw/zinc/14/12/16/656141216.db2.gz LGCUXSWVOVCPRU-DTWKUNHWSA-N 0 3 283.332 -1.166 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ccc(=O)[nH]n1 ZINC000987956068 656141575 /nfs/dbraw/zinc/14/15/75/656141575.db2.gz WORJOEJDUFZKKY-JGVFFNPUSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CCCC1=O ZINC000987982156 656141670 /nfs/dbraw/zinc/14/16/70/656141670.db2.gz IRKZUSDKPICOPP-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1cccn1 ZINC000988075565 656141735 /nfs/dbraw/zinc/14/17/35/656141735.db2.gz FSBXHKCSJJNCNC-ZJUUUORDSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1cnnn1 ZINC000987999292 656141764 /nfs/dbraw/zinc/14/17/64/656141764.db2.gz DSCJJBKNDDRGGH-SFYZADRCSA-N 0 3 267.293 -2.263 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ccc(=O)[nH]n1 ZINC000987956066 656141818 /nfs/dbraw/zinc/14/18/18/656141818.db2.gz WORJOEJDUFZKKY-HTQZYQBOSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1ccc(=O)[nH]n1 ZINC000987956069 656141930 /nfs/dbraw/zinc/14/19/30/656141930.db2.gz WORJOEJDUFZKKY-SFYZADRCSA-N 0 3 279.300 -1.140 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)C1=COCCO1 ZINC000987931433 656141968 /nfs/dbraw/zinc/14/19/68/656141968.db2.gz VNAUHIGUGSSBQT-IUCAKERBSA-N 0 3 269.301 -1.061 20 0 CAADHN CN(C[C@H]1CCN(C(=O)C(N)=O)C1)C(=O)[C@@H]1CCCN1C ZINC000988287904 656142835 /nfs/dbraw/zinc/14/28/35/656142835.db2.gz UYXGCJJSLWDDEV-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1nccnc1N ZINC000988394474 656143280 /nfs/dbraw/zinc/14/32/80/656143280.db2.gz LTPKNZIBZAUWMW-JGVFFNPUSA-N 0 3 278.316 -1.263 20 0 CAADHN C[C@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)CC(N)=O ZINC000988435472 656143629 /nfs/dbraw/zinc/14/36/29/656143629.db2.gz SOUUTZMQTKNYAX-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN COC(=O)[C@@H]1COCCN1S(=O)(=O)N1CCNCC1 ZINC000163459261 656143913 /nfs/dbraw/zinc/14/39/13/656143913.db2.gz PXPKJKJTHGSACK-VIFPVBQESA-N 0 3 293.345 -1.990 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CCOCC1 ZINC000988652694 656144786 /nfs/dbraw/zinc/14/47/86/656144786.db2.gz IUNQSUIRSIVYKY-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cnn(C)c1N ZINC000988675925 656144841 /nfs/dbraw/zinc/14/48/41/656144841.db2.gz CGSNAFIJWHFJCZ-JGVFFNPUSA-N 0 3 280.332 -1.320 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cnn(C)c1N ZINC000988675931 656144884 /nfs/dbraw/zinc/14/48/84/656144884.db2.gz CGSNAFIJWHFJCZ-YUMQZZPRSA-N 0 3 280.332 -1.320 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CN=NC1=O ZINC000988669915 656144907 /nfs/dbraw/zinc/14/49/07/656144907.db2.gz ZIPOVUCRPBBKIY-YUMQZZPRSA-N 0 3 282.304 -1.952 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@@H](NCC(N)=O)C[C@H]2C)C1 ZINC000988718028 656145399 /nfs/dbraw/zinc/14/53/99/656145399.db2.gz HSEQQBYLXFDJCZ-KCJUWKMLSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cnnn1C ZINC000988765059 656145766 /nfs/dbraw/zinc/14/57/66/656145766.db2.gz NEANNTDJERFHRM-HTQZYQBOSA-N 0 3 266.305 -1.507 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@@H](NCC(N)=O)C[C@H]2C)o1 ZINC000988778280 656145957 /nfs/dbraw/zinc/14/59/57/656145957.db2.gz PIZFNEKATNSZRL-APPZFPTMSA-N 0 3 281.316 -1.015 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1nccn1 ZINC000988890387 656146402 /nfs/dbraw/zinc/14/64/02/656146402.db2.gz BMCVVLMIIGTSBW-DTWKUNHWSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cn(C)nn1 ZINC000988787451 656146507 /nfs/dbraw/zinc/14/65/07/656146507.db2.gz VCVAWVOQCGMDEZ-YUMQZZPRSA-N 0 3 266.305 -1.507 20 0 CAADHN CCn1nncc1C(=O)N1C[C@@H](NCC(N)=O)C[C@@H]1C ZINC000988783818 656146570 /nfs/dbraw/zinc/14/65/70/656146570.db2.gz RYTFTFVMZGVPLU-IUCAKERBSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@H]1C[C@H](NCCF)CN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000988850854 656146592 /nfs/dbraw/zinc/14/65/92/656146592.db2.gz AMFBEYFASJLZGZ-IUCAKERBSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@H]1C[C@@H](NCCF)CN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000988850853 656146607 /nfs/dbraw/zinc/14/66/07/656146607.db2.gz AMFBEYFASJLZGZ-DTWKUNHWSA-N 0 3 298.322 -1.075 20 0 CAADHN C[C@@H]1C[C@H](NCCF)CN1C(=O)Cn1cnc(C(N)=O)n1 ZINC000988850848 656146645 /nfs/dbraw/zinc/14/66/45/656146645.db2.gz AMFBEYFASJLZGZ-BDAKNGLRSA-N 0 3 298.322 -1.075 20 0 CAADHN CCn1ncc(C(=O)N2C[C@@H](NCC(N)=O)C[C@@H]2C)n1 ZINC000988779531 656146657 /nfs/dbraw/zinc/14/66/57/656146657.db2.gz DOOSBAGWRWHPGJ-IUCAKERBSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1ncnn1 ZINC000988837543 656146675 /nfs/dbraw/zinc/14/66/75/656146675.db2.gz KIQOVACJOFGKNG-HTQZYQBOSA-N 0 3 267.293 -2.263 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1nccn1 ZINC000988890382 656146807 /nfs/dbraw/zinc/14/68/07/656146807.db2.gz BMCVVLMIIGTSBW-BDAKNGLRSA-N 0 3 266.305 -1.658 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1ncnn1 ZINC000988837547 656146836 /nfs/dbraw/zinc/14/68/36/656146836.db2.gz KIQOVACJOFGKNG-SFYZADRCSA-N 0 3 267.293 -2.263 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1ncn(C)c1=O ZINC000989060701 656147260 /nfs/dbraw/zinc/14/72/60/656147260.db2.gz BNUBVYOPAVWVOR-DTWKUNHWSA-N 0 3 296.331 -2.354 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cc(=O)n(C)cn1 ZINC000988984482 656147293 /nfs/dbraw/zinc/14/72/93/656147293.db2.gz GVMOAZDVPAIGIH-BDAKNGLRSA-N 0 3 293.327 -1.542 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CCCNC1=O ZINC000989100201 656147298 /nfs/dbraw/zinc/14/72/98/656147298.db2.gz PQQRMECGJRCBBQ-NXEZZACHSA-N 0 3 297.359 -1.534 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1ncn(C)c1=O ZINC000989060700 656147340 /nfs/dbraw/zinc/14/73/40/656147340.db2.gz BNUBVYOPAVWVOR-BDAKNGLRSA-N 0 3 296.331 -2.354 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CCCNC1=O ZINC000989100205 656147374 /nfs/dbraw/zinc/14/73/74/656147374.db2.gz PQQRMECGJRCBBQ-VHSXEESVSA-N 0 3 297.359 -1.534 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(C[C@H]2CN(C)CCO2)C1=O ZINC000925300271 656147674 /nfs/dbraw/zinc/14/76/74/656147674.db2.gz RKSHWLHGBMIFKW-NXEZZACHSA-N 0 3 270.333 -1.201 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1cn(C)c(=O)cn1 ZINC000989222395 656147744 /nfs/dbraw/zinc/14/77/44/656147744.db2.gz ZJHWITIQJUSJQT-IUCAKERBSA-N 0 3 293.327 -1.542 20 0 CAADHN CCn1cc(CC(=O)N2C[C@@H](NCC(N)=O)C[C@H]2C)nn1 ZINC000989221437 656147827 /nfs/dbraw/zinc/14/78/27/656147827.db2.gz JZMXFRRLPXTUEX-ZJUUUORDSA-N 0 3 294.359 -1.095 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cn(C)c(=O)cn1 ZINC000989222394 656147955 /nfs/dbraw/zinc/14/79/55/656147955.db2.gz ZJHWITIQJUSJQT-DTWKUNHWSA-N 0 3 293.327 -1.542 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(C[C@H]2CN(C)CCO2)C1=O ZINC000925300290 656147976 /nfs/dbraw/zinc/14/79/76/656147976.db2.gz RKSHWLHGBMIFKW-ZJUUUORDSA-N 0 3 270.333 -1.201 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CCNC(=O)C1 ZINC000989296219 656148128 /nfs/dbraw/zinc/14/81/28/656148128.db2.gz SIHMMMQESUDXQD-ZJUUUORDSA-N 0 3 297.359 -2.518 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)COc1cnn(C)c1 ZINC000989357410 656148142 /nfs/dbraw/zinc/14/81/42/656148142.db2.gz OFLCIGXALVQCCJ-NXEZZACHSA-N 0 3 295.343 -1.137 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1nnn(C)n1 ZINC000989305492 656148292 /nfs/dbraw/zinc/14/82/92/656148292.db2.gz DIGKEWGXNLQJKP-BQBZGAKWSA-N 0 3 267.293 -2.112 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1c[nH]c(=O)cn1 ZINC000989374364 656148298 /nfs/dbraw/zinc/14/82/98/656148298.db2.gz MKLBSQLNXOUMHD-JGVFFNPUSA-N 0 3 279.300 -1.552 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1c[nH]c(=O)cn1 ZINC000989374366 656148463 /nfs/dbraw/zinc/14/84/63/656148463.db2.gz MKLBSQLNXOUMHD-YUMQZZPRSA-N 0 3 279.300 -1.552 20 0 CAADHN C[C@@H]1C[C@@H](NCCF)CN1C(=O)CN1CCNC(=O)C1 ZINC000989295513 656148472 /nfs/dbraw/zinc/14/84/72/656148472.db2.gz PWMJSPSNAWFXQZ-GHMZBOCLSA-N 0 3 286.351 -1.033 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1c[nH]c(=O)n1C ZINC000989291658 656148571 /nfs/dbraw/zinc/14/85/71/656148571.db2.gz QUDIWMWVPBSWAT-JGVFFNPUSA-N 0 3 281.316 -1.196 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)N2CCO[C@H](C(N)=O)C2)CCN1C ZINC000925318371 656149719 /nfs/dbraw/zinc/14/97/19/656149719.db2.gz TZWXUGNLJZSHMX-UTLUCORTSA-N 0 3 270.333 -1.025 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)CCc1cnn(C)n1 ZINC000989453354 656149893 /nfs/dbraw/zinc/14/98/93/656149893.db2.gz GUFPRKDUICVPRP-KOLCDFICSA-N 0 3 294.359 -1.188 20 0 CAADHN CN(C)C(=O)CN1CCCN(C(=O)Cc2ncn[nH]2)CC1 ZINC000989451049 656149929 /nfs/dbraw/zinc/14/99/29/656149929.db2.gz AEPADFFJMRGEAX-UHFFFAOYSA-N 0 3 294.359 -1.030 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCc1cnn(C)n1 ZINC000989453353 656149956 /nfs/dbraw/zinc/14/99/56/656149956.db2.gz GUFPRKDUICVPRP-GXSJLCMTSA-N 0 3 294.359 -1.188 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)C1CC(=O)NC(=O)C1 ZINC000989549131 656150007 /nfs/dbraw/zinc/15/00/07/656150007.db2.gz GBJHHDATIYPCOQ-VXNVDRBHSA-N 0 3 296.327 -1.897 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCN1CCOCC1 ZINC000989559653 656150047 /nfs/dbraw/zinc/15/00/47/656150047.db2.gz UAHXDIXNFJDRIX-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN O=C(Cc1ncn[nH]1)N1CCCN([C@@H]2CCNC2=O)CC1 ZINC000989452927 656150166 /nfs/dbraw/zinc/15/01/66/656150166.db2.gz VNPJTFYSYAORTF-SNVBAGLBSA-N 0 3 292.343 -1.230 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CN1CC(=O)NC1=O ZINC000989569935 656150194 /nfs/dbraw/zinc/15/01/94/656150194.db2.gz ZARANAVNKUUPJC-YUMQZZPRSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CN1CC(=O)NC1=O ZINC000989569932 656150247 /nfs/dbraw/zinc/15/02/47/656150247.db2.gz ZARANAVNKUUPJC-HTQZYQBOSA-N 0 3 297.315 -2.398 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cnn(C)n1 ZINC000989549305 656150274 /nfs/dbraw/zinc/15/02/74/656150274.db2.gz IIPKDXJKRLJULW-HTQZYQBOSA-N 0 3 266.305 -1.507 20 0 CAADHN O=C(Cc1ncn[nH]1)N1CCCN([C@H]2CCNC2=O)CC1 ZINC000989452926 656150307 /nfs/dbraw/zinc/15/03/07/656150307.db2.gz VNPJTFYSYAORTF-JTQLQIEISA-N 0 3 292.343 -1.230 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1cnon1 ZINC000989580090 656150669 /nfs/dbraw/zinc/15/06/69/656150669.db2.gz LDCCUOJCSQFQIU-NKWVEPMBSA-N 0 3 253.262 -1.253 20 0 CAADHN CC[C@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1C)N(C)C ZINC000989589372 656150688 /nfs/dbraw/zinc/15/06/88/656150688.db2.gz CQJLCOPWWSSVDD-KXUCPTDWSA-N 0 3 284.360 -1.083 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1nc[nH]n1 ZINC000989573836 656150709 /nfs/dbraw/zinc/15/07/09/656150709.db2.gz VWDUBEZPOOCCTB-BQBZGAKWSA-N 0 3 252.278 -1.517 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1nc[nH]n1 ZINC000989573837 656150773 /nfs/dbraw/zinc/15/07/73/656150773.db2.gz VWDUBEZPOOCCTB-NKWVEPMBSA-N 0 3 252.278 -1.517 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N1CCCN(CCCO)CC1 ZINC000989623925 656151492 /nfs/dbraw/zinc/15/14/92/656151492.db2.gz NEWXSLWKLUEMHI-UHFFFAOYSA-N 0 3 298.343 -1.545 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)CCn1cnnn1 ZINC000989602752 656151658 /nfs/dbraw/zinc/15/16/58/656151658.db2.gz YBYLTWMQBPLHRA-IUCAKERBSA-N 0 3 281.320 -1.873 20 0 CAADHN CCn1cc(C(=O)N2C[C@@H](NCC(N)=O)C[C@@H]2C)nn1 ZINC000989623115 656151711 /nfs/dbraw/zinc/15/17/11/656151711.db2.gz RVJVRDBUXJAKBQ-IUCAKERBSA-N 0 3 280.332 -1.024 20 0 CAADHN C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)CCn1cnnn1 ZINC000989602753 656151932 /nfs/dbraw/zinc/15/19/32/656151932.db2.gz YBYLTWMQBPLHRA-RKDXNWHRSA-N 0 3 281.320 -1.873 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)c1ccc(=O)n(C)n1 ZINC000989759386 656152294 /nfs/dbraw/zinc/15/22/94/656152294.db2.gz LJSSSBODMGHCQP-IUCAKERBSA-N 0 3 293.327 -1.542 20 0 CAADHN CC1(C)C(=O)NCCN1S(=O)(=O)N1CCNCC1 ZINC000110659485 656152598 /nfs/dbraw/zinc/15/25/98/656152598.db2.gz PUFFCSUYKFKDTC-UHFFFAOYSA-N 0 3 276.362 -1.653 20 0 CAADHN C[C@@H]1C(=O)NCCN1S(=O)(=O)N1CCNCC1 ZINC000110659495 656152747 /nfs/dbraw/zinc/15/27/47/656152747.db2.gz RPEQKIOTOSXIOP-MRVPVSSYSA-N 0 3 262.335 -2.043 20 0 CAADHN C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)Cn1ccnc1 ZINC000989852616 656152924 /nfs/dbraw/zinc/15/29/24/656152924.db2.gz BLJYQIZMUDYSQW-VHSXEESVSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1ccnc1 ZINC000989852618 656153009 /nfs/dbraw/zinc/15/30/09/656153009.db2.gz BLJYQIZMUDYSQW-ZJUUUORDSA-N 0 3 265.317 -1.053 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1ccccc1=O ZINC000989776294 656153074 /nfs/dbraw/zinc/15/30/74/656153074.db2.gz ODGUFMQNMCANQY-QWRGUYRKSA-N 0 3 292.339 -1.087 20 0 CAADHN C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)Cn1ccnc1 ZINC000989852615 656153088 /nfs/dbraw/zinc/15/30/88/656153088.db2.gz BLJYQIZMUDYSQW-UWVGGRQHSA-N 0 3 265.317 -1.053 20 0 CAADHN CC[C@H]1C(=O)NCCN1S(=O)(=O)N1CCNCC1 ZINC000110680631 656153095 /nfs/dbraw/zinc/15/30/95/656153095.db2.gz JQOUBXDFWNXAHY-VIFPVBQESA-N 0 3 276.362 -1.653 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014503991 656155109 /nfs/dbraw/zinc/15/51/09/656155109.db2.gz TVJKSZGWJMABFP-RKDXNWHRSA-N 0 3 296.331 -2.052 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2COCCO2)C1 ZINC000990277120 656157486 /nfs/dbraw/zinc/15/74/86/656157486.db2.gz TZSGMDRMYCWYFV-NEPJUHHUSA-N 0 3 297.355 -1.177 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2COCCO2)C1 ZINC000990277121 656157721 /nfs/dbraw/zinc/15/77/21/656157721.db2.gz TZSGMDRMYCWYFV-NWDGAFQWSA-N 0 3 297.355 -1.177 20 0 CAADHN CNC(=O)[C@H]1CCCN1S(=O)(=O)N1CCNCC1 ZINC000040861717 656160531 /nfs/dbraw/zinc/16/05/31/656160531.db2.gz MEEDFNHBPRWISQ-SECBINFHSA-N 0 3 276.362 -1.653 20 0 CAADHN CN(CC(=O)NC1CC1)S(=O)(=O)N1CCNCC1 ZINC000040861930 656160579 /nfs/dbraw/zinc/16/05/79/656160579.db2.gz UKEDWCDJQLALBO-UHFFFAOYSA-N 0 3 276.362 -1.653 20 0 CAADHN NC(=O)CN(C1CCCC1)S(=O)(=O)N1CCNCC1 ZINC000040861157 656160600 /nfs/dbraw/zinc/16/06/00/656160600.db2.gz SUEHDHMLCDMKMB-UHFFFAOYSA-N 0 3 290.389 -1.134 20 0 CAADHN C[C@H](CN1CCCC1=O)NS(=O)(=O)N1CCNCC1 ZINC000040861613 656160605 /nfs/dbraw/zinc/16/06/05/656160605.db2.gz ZANVXKCOLJEBJU-SNVBAGLBSA-N 0 3 290.389 -1.263 20 0 CAADHN C[C@H]1CC[C@H](C(N)=O)CN1S(=O)(=O)N1CCNCC1 ZINC000040860811 656160608 /nfs/dbraw/zinc/16/06/08/656160608.db2.gz ATVYTGLZZUXNJJ-UWVGGRQHSA-N 0 3 290.389 -1.278 20 0 CAADHN C[C@@H](CN1CCCC1=O)NS(=O)(=O)N1CCNCC1 ZINC000040861611 656160703 /nfs/dbraw/zinc/16/07/03/656160703.db2.gz ZANVXKCOLJEBJU-JTQLQIEISA-N 0 3 290.389 -1.263 20 0 CAADHN CCCN(CC(=O)N(C)C)S(=O)(=O)N1CCNCC1 ZINC000040862232 656160763 /nfs/dbraw/zinc/16/07/63/656160763.db2.gz VXKAWASMXPRTPU-UHFFFAOYSA-N 0 3 292.405 -1.063 20 0 CAADHN O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000990494643 656161263 /nfs/dbraw/zinc/16/12/63/656161263.db2.gz VKGIWLUMIYZQLT-LLVKDONJSA-N 0 3 294.355 -1.312 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000900442252 656167034 /nfs/dbraw/zinc/16/70/34/656167034.db2.gz OSFJKTQMWKBQIA-VXGBXAGGSA-N 0 3 296.371 -1.602 20 0 CAADHN COCCN(C)CCNC(=O)C1CN(S(C)(=O)=O)C1 ZINC000900518725 656168580 /nfs/dbraw/zinc/16/85/80/656168580.db2.gz SABQHYFAXHIBOB-UHFFFAOYSA-N 0 3 293.389 -1.428 20 0 CAADHN CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CN2CCC1CC2 ZINC000900663254 656170290 /nfs/dbraw/zinc/17/02/90/656170290.db2.gz UEPWKAMRUFCSEY-GFCCVEGCSA-N 0 3 280.372 -1.029 20 0 CAADHN CCN1CCN(CCNC(=O)[C@H]2OCCN(C)C2=O)CC1 ZINC000900687265 656170584 /nfs/dbraw/zinc/17/05/84/656170584.db2.gz SXCLLCHLQRBCAL-GFCCVEGCSA-N 0 3 298.387 -1.403 20 0 CAADHN CCN1CCN(CCNC(=O)[C@@H](O)C(C)(C)O)CC1 ZINC000900688040 656170939 /nfs/dbraw/zinc/17/09/39/656170939.db2.gz WDPMEAIJBKGPJA-LLVKDONJSA-N 0 3 273.377 -1.128 20 0 CAADHN CCN1CCN(CCNC(=O)[C@H](O)C(C)(C)O)CC1 ZINC000900688043 656171088 /nfs/dbraw/zinc/17/10/88/656171088.db2.gz WDPMEAIJBKGPJA-NSHDSACASA-N 0 3 273.377 -1.128 20 0 CAADHN CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CCCN(C)C1 ZINC000900833469 656172329 /nfs/dbraw/zinc/17/23/29/656172329.db2.gz WWSLEQKMEYLPIC-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(N)=O ZINC001030022239 656175302 /nfs/dbraw/zinc/17/53/02/656175302.db2.gz HUQOMQKAKPSLGJ-UTLUCORTSA-N 0 3 282.344 -1.281 20 0 CAADHN CN(C)CCn1nccc1C(=O)N[C@H]1CN(C)NC1=O ZINC000901322593 656180556 /nfs/dbraw/zinc/18/05/56/656180556.db2.gz JBINIYRMWISISQ-VIFPVBQESA-N 0 3 280.332 -1.480 20 0 CAADHN NC(=O)[C@]12CCC[C@H]1CN(S(=O)(=O)C1CNC1)C2 ZINC000903554011 656185329 /nfs/dbraw/zinc/18/53/29/656185329.db2.gz GZWBEDMDEYSQOT-KWQFWETISA-N 0 3 273.358 -1.125 20 0 CAADHN COCCN(C)S(=O)(=O)N1CCNC[C@@H]1COC ZINC000903599988 656185383 /nfs/dbraw/zinc/18/53/83/656185383.db2.gz DZWNSODJYHCOJT-SNVBAGLBSA-N 0 3 281.378 -1.270 20 0 CAADHN O=S(=O)(NCC[C@H](O)C1CC1)N1CCNCC1 ZINC000903576341 656185464 /nfs/dbraw/zinc/18/54/64/656185464.db2.gz KQVULMAWNSANFH-JTQLQIEISA-N 0 3 263.363 -1.113 20 0 CAADHN COCC[C@H]1CNCCN1S(=O)(=O)C1CNC1 ZINC000903576210 656185505 /nfs/dbraw/zinc/18/55/05/656185505.db2.gz ONCZTNWAHNSYBS-VIFPVBQESA-N 0 3 263.363 -1.402 20 0 CAADHN O=S(=O)(N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCNCC1 ZINC000903555122 656185653 /nfs/dbraw/zinc/18/56/53/656185653.db2.gz ALIFBCACUGZKGR-XXFSISAASA-N 0 3 273.358 -1.098 20 0 CAADHN CCN(CCC(=O)NC)S(=O)(=O)N1CCNCC1 ZINC000903555596 656185728 /nfs/dbraw/zinc/18/57/28/656185728.db2.gz TZCYFTWAWQOXDJ-UHFFFAOYSA-N 0 3 278.378 -1.406 20 0 CAADHN COC[C@H]1CNCCN1S(=O)(=O)N1CCNCC1 ZINC000903600782 656185853 /nfs/dbraw/zinc/18/58/53/656185853.db2.gz GSPBMJPFLMDOHC-SNVBAGLBSA-N 0 3 278.378 -1.943 20 0 CAADHN COC[C@H]1CNCCN1S(=O)(=O)C[C@@H]1CNCCO1 ZINC000903597866 656186585 /nfs/dbraw/zinc/18/65/85/656186585.db2.gz FUCZAFYERHHQGR-MNOVXSKESA-N 0 3 293.389 -1.775 20 0 CAADHN O=C(CNC[C@@H](O)C1(O)CCC1)N1CCOCC1 ZINC000905199575 656189871 /nfs/dbraw/zinc/18/98/71/656189871.db2.gz HIMXLTWLWRQTOV-SNVBAGLBSA-N 0 3 258.318 -1.289 20 0 CAADHN COC[C@H]1CNCCN1C(=O)C(=O)N(C)Cc1cnc[nH]1 ZINC000905022498 656189926 /nfs/dbraw/zinc/18/99/26/656189926.db2.gz RPDAFAXEIQKKFB-LLVKDONJSA-N 0 3 295.343 -1.185 20 0 CAADHN COC(=O)N1CC(NC[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905178216 656190180 /nfs/dbraw/zinc/19/01/80/656190180.db2.gz SXCDCYHSWUPKEQ-JQWIXIFHSA-N 0 3 274.317 -1.071 20 0 CAADHN CN1C[C@H](NC[C@H](O)C2(O)CCOCC2)CC1=O ZINC000905086586 656190279 /nfs/dbraw/zinc/19/02/79/656190279.db2.gz DTWHMCJUJMITHL-ZJUUUORDSA-N 0 3 258.318 -1.291 20 0 CAADHN CON(C)C(=O)[C@@H](C)NC[C@H](O)C1(O)CCOCC1 ZINC000905400510 656191484 /nfs/dbraw/zinc/19/14/84/656191484.db2.gz UWAQERJAAAULAA-ZJUUUORDSA-N 0 3 276.333 -1.113 20 0 CAADHN CON(C)C(=O)[C@H](C)NC[C@H](O)C1(O)CCOCC1 ZINC000905400508 656191859 /nfs/dbraw/zinc/19/18/59/656191859.db2.gz UWAQERJAAAULAA-UWVGGRQHSA-N 0 3 276.333 -1.113 20 0 CAADHN O=C(CO)NCCC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000906460255 656192984 /nfs/dbraw/zinc/19/29/84/656192984.db2.gz SFKJASDNUNWMSM-GHMZBOCLSA-N 0 3 285.344 -1.536 20 0 CAADHN COCCN1CCC[C@H](NC(=O)CCNC(=O)CO)C1 ZINC000906598400 656193796 /nfs/dbraw/zinc/19/37/96/656193796.db2.gz ZBQQSMPMIXPCQM-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN COCCN1CCC[C@@H]1CNC(=O)CCNC(=O)CO ZINC000906573429 656193897 /nfs/dbraw/zinc/19/38/97/656193897.db2.gz NXQBSNBBBXEGGP-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN COCCN1CCC[C@@H](NC(=O)CCNC(=O)CO)C1 ZINC000906598399 656194165 /nfs/dbraw/zinc/19/41/65/656194165.db2.gz ZBQQSMPMIXPCQM-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN CN(C)CCn1nccc1C(=O)NC[C@@](C)(O)CO ZINC000907920287 656203875 /nfs/dbraw/zinc/20/38/75/656203875.db2.gz WDYKJGSJAYZOHC-GFCCVEGCSA-N 0 3 270.333 -1.082 20 0 CAADHN CN1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000908026698 656205453 /nfs/dbraw/zinc/20/54/53/656205453.db2.gz BBPMOYUDHMGFOF-UMVBOHGHSA-N 0 3 296.415 -1.052 20 0 CAADHN CN(C)CCn1nccc1C(=O)N1CC(=O)N(C)C(=O)C1 ZINC000908054804 656206483 /nfs/dbraw/zinc/20/64/83/656206483.db2.gz JEUFOZSKPBMJJH-UHFFFAOYSA-N 0 3 293.327 -1.115 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H](CO)CN1CCCCC1 ZINC000908120886 656207926 /nfs/dbraw/zinc/20/79/26/656207926.db2.gz XTIQUZFYNVVDRH-GFCCVEGCSA-N 0 3 298.387 -1.619 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@H](CO)CN2CCCCC2)C1=O ZINC000908118649 656208169 /nfs/dbraw/zinc/20/81/69/656208169.db2.gz NXRIJHCWDLQDKF-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000991110831 656209200 /nfs/dbraw/zinc/20/92/00/656209200.db2.gz MTEAFQPRLPVTSE-VHSXEESVSA-N 0 3 296.327 -1.484 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1)N(C)C ZINC000991116992 656209456 /nfs/dbraw/zinc/20/94/56/656209456.db2.gz FTDNBUOHIJQWFM-VHSXEESVSA-N 0 3 298.343 -1.238 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2COC(=O)N2)C1 ZINC000991110829 656209530 /nfs/dbraw/zinc/20/95/30/656209530.db2.gz MTEAFQPRLPVTSE-UWVGGRQHSA-N 0 3 296.327 -1.484 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1CN([C@H]2CCOC2)C1 ZINC000908200440 656210341 /nfs/dbraw/zinc/21/03/41/656210341.db2.gz KAXHONKYKUZGEL-RYUDHWBXSA-N 0 3 271.361 -1.254 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)[C@@]1(C)C[C@@H](O)CN1C ZINC000908200319 656210482 /nfs/dbraw/zinc/21/04/82/656210482.db2.gz IRZHNNHGESSEJF-CKYFFXLPSA-N 0 3 259.350 -1.520 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)C1CN([C@@H]2CCOC2)C1 ZINC000908200439 656210515 /nfs/dbraw/zinc/21/05/15/656210515.db2.gz KAXHONKYKUZGEL-NWDGAFQWSA-N 0 3 271.361 -1.254 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CC1(O)CCOCC1 ZINC000908201845 656210546 /nfs/dbraw/zinc/21/05/46/656210546.db2.gz SWHULMXPDNNGEL-JTQLQIEISA-N 0 3 260.334 -1.043 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)CN1CCCCS1(=O)=O ZINC000908199078 656210611 /nfs/dbraw/zinc/21/06/11/656210611.db2.gz CFGGWMGNHBDASB-JTQLQIEISA-N 0 3 293.389 -1.549 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C1CN([C@H]2CCOC2)C1 ZINC000908200436 656210639 /nfs/dbraw/zinc/21/06/39/656210639.db2.gz KAXHONKYKUZGEL-NEPJUHHUSA-N 0 3 271.361 -1.254 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)CNC(=O)N1CCCC1 ZINC000908201820 656210726 /nfs/dbraw/zinc/21/07/26/656210726.db2.gz SDXYJYZQZFGYAR-SNVBAGLBSA-N 0 3 272.349 -1.170 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@@H]1OCCN(C)C1=O ZINC000908201849 656210835 /nfs/dbraw/zinc/21/08/35/656210835.db2.gz SYWPWMJGORZVFP-IUCAKERBSA-N 0 3 259.306 -2.118 20 0 CAADHN COC[C@@](C)(O)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908202194 656211009 /nfs/dbraw/zinc/21/10/09/656211009.db2.gz JAUQBFYKOLTDEB-ZYHUDNBSSA-N 0 3 260.334 -1.043 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000908203983 656211062 /nfs/dbraw/zinc/21/10/62/656211062.db2.gz STKBTQQBSLDJDD-DBIOUOCHSA-N 0 3 267.329 -1.225 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000908203984 656211077 /nfs/dbraw/zinc/21/10/77/656211077.db2.gz STKBTQQBSLDJDD-MMWGEVLESA-N 0 3 267.329 -1.225 20 0 CAADHN O=C(C[C@H]1CC(=O)N1)N[C@H](CO)CN1CCCC1 ZINC000908206345 656211137 /nfs/dbraw/zinc/21/11/37/656211137.db2.gz ZQBQATHVXVEUSE-ZJUUUORDSA-N 0 3 255.318 -1.162 20 0 CAADHN COC[C@](C)(O)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908202193 656211144 /nfs/dbraw/zinc/21/11/44/656211144.db2.gz JAUQBFYKOLTDEB-PWSUYJOCSA-N 0 3 260.334 -1.043 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@H](CO)CN1CCCC1 ZINC000908204331 656211155 /nfs/dbraw/zinc/21/11/55/656211155.db2.gz GYTFQTUADGWSOU-NSHDSACASA-N 0 3 284.360 -2.009 20 0 CAADHN CN1CCO[C@H](C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1=O ZINC000908204841 656211205 /nfs/dbraw/zinc/21/12/05/656211205.db2.gz XVDMQXLJSONHTH-SRVKXCTJSA-N 0 3 297.355 -1.489 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@@H](CO)CN2CCCC2)C1=O ZINC000908202319 656211247 /nfs/dbraw/zinc/21/12/47/656211247.db2.gz BLFLKOWUCUBUEW-MNOVXSKESA-N 0 3 285.344 -1.584 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)/C=C\Cn1cncn1 ZINC000908203104 656211263 /nfs/dbraw/zinc/21/12/63/656211263.db2.gz ZGKHRLBJNIIWMH-XOULXFPDSA-N 0 3 253.306 -1.127 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H](CO)CN2CCCC2)NC1=O ZINC000908203800 656211300 /nfs/dbraw/zinc/21/13/00/656211300.db2.gz OLCMQTMEEHXDTB-UWVGGRQHSA-N 0 3 270.333 -1.417 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H](CO)CN2CCCC2)NC1=O ZINC000908203802 656211364 /nfs/dbraw/zinc/21/13/64/656211364.db2.gz OLCMQTMEEHXDTB-ZJUUUORDSA-N 0 3 270.333 -1.417 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000908203985 656211391 /nfs/dbraw/zinc/21/13/91/656211391.db2.gz STKBTQQBSLDJDD-YTWAJWBKSA-N 0 3 267.329 -1.225 20 0 CAADHN COC(=O)c1ccn(CC(=O)N[C@@H](CO)CN(C)C)n1 ZINC000908202425 656211396 /nfs/dbraw/zinc/21/13/96/656211396.db2.gz WAQMCHCGAZUGPK-SECBINFHSA-N 0 3 284.316 -1.292 20 0 CAADHN CN1CCO[C@H](C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1=O ZINC000908204843 656211432 /nfs/dbraw/zinc/21/14/32/656211432.db2.gz XVDMQXLJSONHTH-TUAOUCFPSA-N 0 3 297.355 -1.489 20 0 CAADHN O=C(C[C@@H]1CC(=O)N1)N[C@H](CO)CN1CCCC1 ZINC000908206343 656211460 /nfs/dbraw/zinc/21/14/60/656211460.db2.gz ZQBQATHVXVEUSE-UWVGGRQHSA-N 0 3 255.318 -1.162 20 0 CAADHN CC(C)(O)[C@H](O)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908202237 656211475 /nfs/dbraw/zinc/21/14/75/656211475.db2.gz AVIZMUHOSHXZRO-NXEZZACHSA-N 0 3 260.334 -1.309 20 0 CAADHN CN1C[C@H](C(=O)N[C@H](CO)CN2CCCC2)NC1=O ZINC000908203801 656211492 /nfs/dbraw/zinc/21/14/92/656211492.db2.gz OLCMQTMEEHXDTB-VHSXEESVSA-N 0 3 270.333 -1.417 20 0 CAADHN CN1CCO[C@H](C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1=O ZINC000908204847 656211577 /nfs/dbraw/zinc/21/15/77/656211577.db2.gz XVDMQXLJSONHTH-WOPDTQHZSA-N 0 3 297.355 -1.489 20 0 CAADHN CCOC(=O)C[C@H](O)C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908204224 656211624 /nfs/dbraw/zinc/21/16/24/656211624.db2.gz PIPTWVQYVLVYMR-MNOVXSKESA-N 0 3 288.344 -1.127 20 0 CAADHN CCN1CC[C@H]2OCCN(C(=O)CCNC(=O)CO)[C@H]2C1 ZINC000908418388 656214444 /nfs/dbraw/zinc/21/44/44/656214444.db2.gz NMAOSJOFJFGHJG-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)CCn1nccc1NC(=O)CCNC(=O)CO ZINC000908442265 656214551 /nfs/dbraw/zinc/21/45/51/656214551.db2.gz KACOIRLMKLYSGZ-UHFFFAOYSA-N 0 3 283.332 -1.118 20 0 CAADHN CN1CCO[C@@H](C(=O)NC[C@@H]2CCCCN2CCO)C1=O ZINC000908541741 656214898 /nfs/dbraw/zinc/21/48/98/656214898.db2.gz VSUXSPLWXUUYQL-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN CN1CCO[C@H](C(=O)N[C@@H]2CCCN(CCCO)C2)C1=O ZINC000908541362 656214905 /nfs/dbraw/zinc/21/49/05/656214905.db2.gz QTDMMBHZXPVXDQ-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(CN1CCNC(=O)C1)NC[C@H]1CCCCN1CCO ZINC000908540920 656214982 /nfs/dbraw/zinc/21/49/82/656214982.db2.gz LSDBVEURMLAFNP-GFCCVEGCSA-N 0 3 298.387 -1.619 20 0 CAADHN Cn1cc(C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)nn1 ZINC000991155070 656216415 /nfs/dbraw/zinc/21/64/15/656216415.db2.gz OEUHPLNPTMWHMD-NSHDSACASA-N 0 3 292.343 -1.150 20 0 CAADHN Cn1cc(C(=O)NC2CN(C(=O)CN3CCCC3)C2)nn1 ZINC000991175243 656219031 /nfs/dbraw/zinc/21/90/31/656219031.db2.gz CWORETOKHZCLMJ-UHFFFAOYSA-N 0 3 292.343 -1.149 20 0 CAADHN CNC(=O)CC(=O)NCC(=O)NCCN1CCCCC1 ZINC000909317709 656219406 /nfs/dbraw/zinc/21/94/06/656219406.db2.gz GTNXGOHCQAFTAL-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN O=C(CNC(=O)[C@]1(O)CCOC1)NCCN1CCCCC1 ZINC000909315261 656219650 /nfs/dbraw/zinc/21/96/50/656219650.db2.gz GMYJRBRPKANGQQ-AWEZNQCLSA-N 0 3 299.371 -1.144 20 0 CAADHN O=C(CNC(=O)[C@@H]1CC(=O)N1)NCCN1CCCCC1 ZINC000909315122 656219764 /nfs/dbraw/zinc/21/97/64/656219764.db2.gz DWNBYLBXCSZATE-JTQLQIEISA-N 0 3 282.344 -1.407 20 0 CAADHN O=C(CNC(=O)C[C@H]1CC(=O)N1)NCCN1CCCCC1 ZINC000909316591 656219853 /nfs/dbraw/zinc/21/98/53/656219853.db2.gz ZNLIUYFPJQLATE-NSHDSACASA-N 0 3 296.371 -1.017 20 0 CAADHN O=C(NCCOCC1CC1)C(=O)N1CCNCCNCC1 ZINC000910950312 656230800 /nfs/dbraw/zinc/23/08/00/656230800.db2.gz YQAHBVGVGQHMNH-UHFFFAOYSA-N 0 3 298.387 -1.449 20 0 CAADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CNOC1)N1CCCCC1 ZINC000910945702 656231261 /nfs/dbraw/zinc/23/12/61/656231261.db2.gz DKKCJLUXFUSGSP-WDEREUQCSA-N 0 3 284.360 -1.003 20 0 CAADHN C[C@H](CNC(=O)C(=O)N[C@H]1CNOC1)N1CCCCC1 ZINC000910945700 656231570 /nfs/dbraw/zinc/23/15/70/656231570.db2.gz DKKCJLUXFUSGSP-MNOVXSKESA-N 0 3 284.360 -1.003 20 0 CAADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CNOC1)N1CCCCC1 ZINC000910945699 656231591 /nfs/dbraw/zinc/23/15/91/656231591.db2.gz DKKCJLUXFUSGSP-GHMZBOCLSA-N 0 3 284.360 -1.003 20 0 CAADHN C[C@H]1CC[C@@H](CNC(=O)C(=O)N2CCNCCNCC2)O1 ZINC000911018931 656231866 /nfs/dbraw/zinc/23/18/66/656231866.db2.gz QOGSUSXMMFHCMS-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN C[C@@H]1CC[C@H](CNC(=O)C(=O)N2CCNCCNCC2)O1 ZINC000911018932 656232048 /nfs/dbraw/zinc/23/20/48/656232048.db2.gz QOGSUSXMMFHCMS-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@H]1CNOC1 ZINC000911056373 656232796 /nfs/dbraw/zinc/23/27/96/656232796.db2.gz VYWSLZGEODUDRJ-MNOVXSKESA-N 0 3 284.360 -1.003 20 0 CAADHN CN(CCNC(=O)C(=O)N[C@@H]1CNOC1)C1CC1 ZINC000911053342 656232863 /nfs/dbraw/zinc/23/28/63/656232863.db2.gz PEYJLKFTVKTSMD-MRVPVSSYSA-N 0 3 256.306 -1.784 20 0 CAADHN CN(CCNC(=O)C(=O)N[C@H]1CNOC1)C1CC1 ZINC000911053343 656233071 /nfs/dbraw/zinc/23/30/71/656233071.db2.gz PEYJLKFTVKTSMD-QMMMGPOBSA-N 0 3 256.306 -1.784 20 0 CAADHN COC[C@H]1CNCCN1C(=O)C(=O)NCCN(C)C1CC1 ZINC000911060331 656233630 /nfs/dbraw/zinc/23/36/30/656233630.db2.gz LANCQFLVJMEZIX-GFCCVEGCSA-N 0 3 298.387 -1.356 20 0 CAADHN COC[C@@H](C)CNC(=O)C(=O)N1CCNCCNCC1 ZINC000911071988 656233660 /nfs/dbraw/zinc/23/36/60/656233660.db2.gz FEBFIONRERARON-NSHDSACASA-N 0 3 286.376 -1.594 20 0 CAADHN COC[C@H](C)CNC(=O)C(=O)N1CCNCCNCC1 ZINC000911071986 656233823 /nfs/dbraw/zinc/23/38/23/656233823.db2.gz FEBFIONRERARON-LLVKDONJSA-N 0 3 286.376 -1.594 20 0 CAADHN CC(C)OCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911122200 656234128 /nfs/dbraw/zinc/23/41/28/656234128.db2.gz ANLYNHFSJAMVAZ-UHFFFAOYSA-N 0 3 286.376 -1.451 20 0 CAADHN CCOCCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911087071 656234170 /nfs/dbraw/zinc/23/41/70/656234170.db2.gz GXAXCRBKFVHJLW-UHFFFAOYSA-N 0 3 272.349 -1.840 20 0 CAADHN CCN(C)C(=O)CNC(=O)C(=O)N1CCNCCNCC1 ZINC000911104234 656234234 /nfs/dbraw/zinc/23/42/34/656234234.db2.gz ZRDZPAXFKCPWRW-UHFFFAOYSA-N 0 3 299.375 -2.398 20 0 CAADHN CC[C@@H](COC)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911088271 656234599 /nfs/dbraw/zinc/23/45/99/656234599.db2.gz MRALMTJGHZCFNR-NSHDSACASA-N 0 3 286.376 -1.451 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H]1CNOC1 ZINC000911146910 656234759 /nfs/dbraw/zinc/23/47/59/656234759.db2.gz CUCQKUVNVGSFGG-VWYCJHECSA-N 0 3 298.343 -2.015 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N[C@@H]1CNOC1 ZINC000911146909 656234816 /nfs/dbraw/zinc/23/48/16/656234816.db2.gz CUCQKUVNVGSFGG-OUAUKWLOSA-N 0 3 298.343 -2.015 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@H]1CNOC1 ZINC000911146907 656235142 /nfs/dbraw/zinc/23/51/42/656235142.db2.gz CUCQKUVNVGSFGG-HBNTYKKESA-N 0 3 298.343 -2.015 20 0 CAADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N[C@@H]1CNOC1 ZINC000911146908 656235260 /nfs/dbraw/zinc/23/52/60/656235260.db2.gz CUCQKUVNVGSFGG-MXWKQRLJSA-N 0 3 298.343 -2.015 20 0 CAADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CNOC1 ZINC000911162967 656235752 /nfs/dbraw/zinc/23/57/52/656235752.db2.gz UZIRFBVSDWYTLP-MNOVXSKESA-N 0 3 284.360 -1.003 20 0 CAADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@H]1CNOC1 ZINC000911162968 656235842 /nfs/dbraw/zinc/23/58/42/656235842.db2.gz UZIRFBVSDWYTLP-QWRGUYRKSA-N 0 3 284.360 -1.003 20 0 CAADHN CSC[C@@H](C)NC(=O)C(=O)N1CCNCCNCC1 ZINC000911159306 656236068 /nfs/dbraw/zinc/23/60/68/656236068.db2.gz QOHFKBDHLFERSF-SNVBAGLBSA-N 0 3 288.417 -1.125 20 0 CAADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911212490 656237050 /nfs/dbraw/zinc/23/70/50/656237050.db2.gz ZZSHONUFEIZHFP-MNOVXSKESA-N 0 3 284.360 -1.003 20 0 CAADHN C[C@@H](NC(=O)C(=O)N[C@H]1CNOC1)C1=CCN(C)CC1 ZINC000911219523 656237940 /nfs/dbraw/zinc/23/79/40/656237940.db2.gz OLZAPHQFPQGHMA-KOLCDFICSA-N 0 3 282.344 -1.227 20 0 CAADHN O=C(N[C@@H]1CNOC1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911223257 656238072 /nfs/dbraw/zinc/23/80/72/656238072.db2.gz NAGRZYHQIXQGRI-WDEREUQCSA-N 0 3 282.344 -1.394 20 0 CAADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CNOC1 ZINC000911223254 656238270 /nfs/dbraw/zinc/23/82/70/656238270.db2.gz NAGRZYHQIXQGRI-GHMZBOCLSA-N 0 3 282.344 -1.394 20 0 CAADHN C[C@H](NC(=O)C(=O)N[C@@H]1CNOC1)C1=CCN(C)CC1 ZINC000911219522 656238426 /nfs/dbraw/zinc/23/84/26/656238426.db2.gz OLZAPHQFPQGHMA-GXSJLCMTSA-N 0 3 282.344 -1.227 20 0 CAADHN CC(C)(O)CCNC(=O)C(=O)N1CCNCCNCC1 ZINC000911197005 656238430 /nfs/dbraw/zinc/23/84/30/656238430.db2.gz WOJVUGQAMPTGMI-UHFFFAOYSA-N 0 3 286.376 -1.715 20 0 CAADHN O=C(NC[C@H]1CCCO1)C(=O)N1CCNCCNCC1 ZINC000911244827 656238855 /nfs/dbraw/zinc/23/88/55/656238855.db2.gz SAHLRTXSXLZRKR-LLVKDONJSA-N 0 3 284.360 -1.697 20 0 CAADHN CS[C@H](C)CNC(=O)C(=O)N1CCNCCNCC1 ZINC000911254444 656239604 /nfs/dbraw/zinc/23/96/04/656239604.db2.gz FPMRKKKCSXEPHG-SNVBAGLBSA-N 0 3 288.417 -1.125 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000911337379 656242003 /nfs/dbraw/zinc/24/20/03/656242003.db2.gz SFZHLUJLQGHPAH-UWVGGRQHSA-N 0 3 270.333 -1.394 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)NCCCON)C1 ZINC000911337370 656242129 /nfs/dbraw/zinc/24/21/29/656242129.db2.gz SFDWQHIWLAXWEC-JTQLQIEISA-N 0 3 272.349 -1.017 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000911337380 656242205 /nfs/dbraw/zinc/24/22/05/656242205.db2.gz SFZHLUJLQGHPAH-VHSXEESVSA-N 0 3 270.333 -1.394 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000911337378 656242278 /nfs/dbraw/zinc/24/22/78/656242278.db2.gz SFZHLUJLQGHPAH-NXEZZACHSA-N 0 3 270.333 -1.394 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CNOC2)C1 ZINC000911337381 656242330 /nfs/dbraw/zinc/24/23/30/656242330.db2.gz SFZHLUJLQGHPAH-ZJUUUORDSA-N 0 3 270.333 -1.394 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)NCCCON)C1 ZINC000911337371 656242392 /nfs/dbraw/zinc/24/23/92/656242392.db2.gz SFDWQHIWLAXWEC-SNVBAGLBSA-N 0 3 272.349 -1.017 20 0 CAADHN O=C(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)C(=O)N1CCCNCC1 ZINC000911441105 656244025 /nfs/dbraw/zinc/24/40/25/656244025.db2.gz UHPLHPXOUKHYHA-WOPDTQHZSA-N 0 3 297.355 -1.272 20 0 CAADHN C[C@@H]1COC[C@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC000911423891 656244294 /nfs/dbraw/zinc/24/42/94/656244294.db2.gz XNVPMHLXZAQLJX-GHMZBOCLSA-N 0 3 284.360 -1.841 20 0 CAADHN C[C@H]1COC[C@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC000911423897 656244429 /nfs/dbraw/zinc/24/44/29/656244429.db2.gz XNVPMHLXZAQLJX-WDEREUQCSA-N 0 3 284.360 -1.841 20 0 CAADHN C[C@@H]1COC[C@@H]1NC(=O)C(=O)N1CCNCCNCC1 ZINC000911423893 656244524 /nfs/dbraw/zinc/24/45/24/656244524.db2.gz XNVPMHLXZAQLJX-MNOVXSKESA-N 0 3 284.360 -1.841 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CNOC1 ZINC000911465948 656244976 /nfs/dbraw/zinc/24/49/76/656244976.db2.gz YTOYNQHDSVCEIW-SNVBAGLBSA-N 0 3 270.333 -1.440 20 0 CAADHN COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CNOC1 ZINC000911468830 656245200 /nfs/dbraw/zinc/24/52/00/656245200.db2.gz ISGGNRGFWKEJJW-JTQLQIEISA-N 0 3 288.348 -1.957 20 0 CAADHN O=C(N[C@H]1CNOC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000911470860 656245842 /nfs/dbraw/zinc/24/58/42/656245842.db2.gz XTTRNRPXKHLDBV-WDEREUQCSA-N 0 3 282.344 -1.297 20 0 CAADHN CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2CNOC2)C1 ZINC000911454499 656246442 /nfs/dbraw/zinc/24/64/42/656246442.db2.gz HGPHZTJPSLMYKP-SNVBAGLBSA-N 0 3 284.360 -1.146 20 0 CAADHN CC(C)N1CCCN(C(=O)C(=O)N[C@@H]2CNOC2)CC1 ZINC000911454753 656246785 /nfs/dbraw/zinc/24/67/85/656246785.db2.gz IAPBJCNLTICEKT-LLVKDONJSA-N 0 3 284.360 -1.051 20 0 CAADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CNOC1 ZINC000911460896 656247367 /nfs/dbraw/zinc/24/73/67/656247367.db2.gz DDLOJJMWZQBPEG-ZJUUUORDSA-N 0 3 270.333 -1.394 20 0 CAADHN CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCCON ZINC000911514652 656249884 /nfs/dbraw/zinc/24/98/84/656249884.db2.gz XBWXQOMXOUMHDA-JTQLQIEISA-N 0 3 272.349 -1.064 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1C[C@@H]1C(N)=O ZINC000911546626 656250504 /nfs/dbraw/zinc/25/05/04/656250504.db2.gz UYGZTRZYIOEQEG-KXUCPTDWSA-N 0 3 282.344 -1.314 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H](O)C(C)(C)O ZINC000911544320 656250531 /nfs/dbraw/zinc/25/05/31/656250531.db2.gz IOXDHGPOOKVHRQ-VHSXEESVSA-N 0 3 287.360 -1.303 20 0 CAADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](O)C(C)(C)O ZINC000911544321 656250895 /nfs/dbraw/zinc/25/08/95/656250895.db2.gz IOXDHGPOOKVHRQ-ZJUUUORDSA-N 0 3 287.360 -1.303 20 0 CAADHN O=C([C@@H]1CN2CCN1CCC2)N1CC(N2CCOCC2)C1 ZINC000911642968 656251645 /nfs/dbraw/zinc/25/16/45/656251645.db2.gz CBSAVKIZJDFNRE-AWEZNQCLSA-N 0 3 294.399 -1.081 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)C(=O)CN2)C[C@H](C)N1 ZINC000911793452 656253326 /nfs/dbraw/zinc/25/33/26/656253326.db2.gz BECHXEBHDJBXDR-AEJSXWLSSA-N 0 3 254.334 -1.375 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@@H](C)N1 ZINC000911793877 656253755 /nfs/dbraw/zinc/25/37/55/656253755.db2.gz DLNPSNWXSSFJHL-PRJMDXOYSA-N 0 3 254.290 -1.207 20 0 CAADHN CN(C)CCN1CCN(C(=O)[C@H](O)C(C)(C)O)CC1=O ZINC000911874034 656254314 /nfs/dbraw/zinc/25/43/14/656254314.db2.gz VDWHWEMOSJGLMH-NSHDSACASA-N 0 3 287.360 -1.649 20 0 CAADHN COC(=O)CC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000911872932 656254662 /nfs/dbraw/zinc/25/46/62/656254662.db2.gz MKSBMYFLSORCHW-UHFFFAOYSA-N 0 3 271.317 -1.218 20 0 CAADHN CN1CCC(N(CCO)C(=O)[C@H]2CC(=O)N2)CC1 ZINC000911948042 656255952 /nfs/dbraw/zinc/25/59/52/656255952.db2.gz XWZPUILIKYRLOB-SNVBAGLBSA-N 0 3 255.318 -1.210 20 0 CAADHN CN1CCC(N(CCO)C(=O)[C@H]2OCCN(C)C2=O)CC1 ZINC000911947635 656256102 /nfs/dbraw/zinc/25/61/02/656256102.db2.gz MDQOEMXNRORHOY-LBPRGKRZSA-N 0 3 299.371 -1.241 20 0 CAADHN CN1CCC(N(CCO)C(=O)[C@@H]2OCCN(C)C2=O)CC1 ZINC000911947631 656256238 /nfs/dbraw/zinc/25/62/38/656256238.db2.gz MDQOEMXNRORHOY-GFCCVEGCSA-N 0 3 299.371 -1.241 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000912053872 656257161 /nfs/dbraw/zinc/25/71/61/656257161.db2.gz DNYDSGXSPFNPFB-JLIMGVALSA-N 0 3 253.302 -1.615 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)N[C@@]1(C)CN2CCC1CC2 ZINC000912378327 656259216 /nfs/dbraw/zinc/25/92/16/656259216.db2.gz HIWXEMKOHLWBGU-AWEZNQCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(C(=O)CN1CCNC(=O)C1)[C@@H]1CCN(C)C1 ZINC000912306646 656259376 /nfs/dbraw/zinc/25/93/76/656259376.db2.gz LSDYEULIBBPJIG-LLVKDONJSA-N 0 3 268.361 -1.029 20 0 CAADHN C[C@]1(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CN2CCC1CC2 ZINC000912374016 656259550 /nfs/dbraw/zinc/25/95/50/656259550.db2.gz IUXKGBNPZQHNCJ-BHPKHCPMSA-N 0 3 296.367 -1.000 20 0 CAADHN CN(CCO)CCN(C)C(=O)CN1CCN(C)C(=O)C1 ZINC000912605552 656261548 /nfs/dbraw/zinc/26/15/48/656261548.db2.gz ZDOQNNHPPDOWCR-UHFFFAOYSA-N 0 3 286.376 -1.857 20 0 CAADHN CNC(=O)NCCC(=O)N(C)CCN(C)CCO ZINC000912604186 656261692 /nfs/dbraw/zinc/26/16/92/656261692.db2.gz UKFWZXAABNCUDC-UHFFFAOYSA-N 0 3 260.338 -1.312 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)N(C)CCN(C)CCO ZINC000912604288 656261752 /nfs/dbraw/zinc/26/17/52/656261752.db2.gz XUUPKMMQCSGXTE-JTQLQIEISA-N 0 3 295.405 -1.303 20 0 CAADHN CC(C)C(=O)N[C@@H](CO)C(=O)N(C)CCN(C)CCO ZINC000912604291 656261881 /nfs/dbraw/zinc/26/18/81/656261881.db2.gz XVYCUWGOSVQUDG-NSHDSACASA-N 0 3 289.376 -1.498 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC000912606573 656261905 /nfs/dbraw/zinc/26/19/05/656261905.db2.gz RHCSLIVAUOELMJ-JTQLQIEISA-N 0 3 272.349 -1.088 20 0 CAADHN Cc1nn(CC(=O)N(C)CCN(C)CCO)c(=O)o1 ZINC000912600930 656262074 /nfs/dbraw/zinc/26/20/74/656262074.db2.gz SBKMEAUYGMUDTB-UHFFFAOYSA-N 0 3 272.305 -1.473 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@]1(C)CCNC1=O ZINC000912599185 656262146 /nfs/dbraw/zinc/26/21/46/656262146.db2.gz KZTNJLFUHOMVPL-GFCCVEGCSA-N 0 3 257.334 -1.105 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC000912603110 656262311 /nfs/dbraw/zinc/26/23/11/656262311.db2.gz CYTHDZQPMYZNCC-VHSXEESVSA-N 0 3 257.334 -1.120 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC000912603109 656262410 /nfs/dbraw/zinc/26/24/10/656262410.db2.gz CYTHDZQPMYZNCC-UWVGGRQHSA-N 0 3 257.334 -1.120 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CCC(=O)N1C ZINC000912605454 656262580 /nfs/dbraw/zinc/26/25/80/656262580.db2.gz UROMIVUKHAFBIM-JTQLQIEISA-N 0 3 257.334 -1.010 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CCN(C)S1(=O)=O ZINC000912600148 656262680 /nfs/dbraw/zinc/26/26/80/656262680.db2.gz SAZQOQQQWKSXJZ-JTQLQIEISA-N 0 3 293.389 -1.597 20 0 CAADHN Cc1nn(CC(=O)N(C)CCN(C)CCO)c(=O)n1C ZINC000912600169 656262817 /nfs/dbraw/zinc/26/28/17/656262817.db2.gz SZSFUWOXWXRTRQ-UHFFFAOYSA-N 0 3 285.348 -1.727 20 0 CAADHN CN(CCO)CCN(C)C(=O)CN1CCOCC1=O ZINC000912604083 656262904 /nfs/dbraw/zinc/26/29/04/656262904.db2.gz GQHJOAZZOPOENC-UHFFFAOYSA-N 0 3 273.333 -1.772 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N(C)CCN(C)CCO ZINC000912605356 656263051 /nfs/dbraw/zinc/26/30/51/656263051.db2.gz PJYXASOEDKWYKN-UHFFFAOYSA-N 0 3 281.378 -1.740 20 0 CAADHN CN(CCO)CCN(C)C(=O)CNC(=O)C1CC1 ZINC000912609662 656263298 /nfs/dbraw/zinc/26/32/98/656263298.db2.gz HVLOATAGDRTCRL-UHFFFAOYSA-N 0 3 257.334 -1.105 20 0 CAADHN C[C@H](C(=O)N(C)CCN(C)CCO)N1C(=O)CCC1=O ZINC000912610242 656263356 /nfs/dbraw/zinc/26/33/56/656263356.db2.gz BHRVRNOQUWABDR-SNVBAGLBSA-N 0 3 285.344 -1.094 20 0 CAADHN CN(CCO)CCN(C)C(=O)Cn1ncn(C)c1=O ZINC000912608801 656263368 /nfs/dbraw/zinc/26/33/68/656263368.db2.gz YPDFECUVTAJVMI-UHFFFAOYSA-N 0 3 271.321 -2.036 20 0 CAADHN CN1CCN(C(=O)CCc2cnn[nH]2)[C@@H](CO)C1 ZINC000912737740 656266174 /nfs/dbraw/zinc/26/61/74/656266174.db2.gz SXQZOEOGDMTBRM-SNVBAGLBSA-N 0 3 253.306 -1.128 20 0 CAADHN C[C@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001030028066 656268392 /nfs/dbraw/zinc/26/83/92/656268392.db2.gz UCWRNIFBLJPYFJ-AEJSXWLSSA-N 0 3 298.343 -1.454 20 0 CAADHN CN(C)CCN1C[C@@H](C(=O)Nc2nnn(C)n2)CC1=O ZINC000912834568 656268408 /nfs/dbraw/zinc/26/84/08/656268408.db2.gz FIGJHUCFVZQZMD-QMMMGPOBSA-N 0 3 281.320 -1.441 20 0 CAADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001030028067 656268675 /nfs/dbraw/zinc/26/86/75/656268675.db2.gz UCWRNIFBLJPYFJ-BBBLOLIVSA-N 0 3 298.343 -1.454 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)Nc2nnn(C)n2)CC1=O ZINC000912834567 656268789 /nfs/dbraw/zinc/26/87/89/656268789.db2.gz FIGJHUCFVZQZMD-MRVPVSSYSA-N 0 3 281.320 -1.441 20 0 CAADHN O=S(=O)(C1CNC1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000923744482 656269287 /nfs/dbraw/zinc/26/92/87/656269287.db2.gz CZIRTVGBTVMYNT-SSDOTTSWSA-N 0 3 296.374 -2.878 20 0 CAADHN O=S(=O)(C1CNC1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000923744487 656269473 /nfs/dbraw/zinc/26/94/73/656269473.db2.gz CZIRTVGBTVMYNT-ZETCQYMHSA-N 0 3 296.374 -2.878 20 0 CAADHN CC(C)[C@@H](C(=O)N1CC(NS(N)(=O)=O)C1)N(C)C ZINC000913056552 656271219 /nfs/dbraw/zinc/27/12/19/656271219.db2.gz ULCUQNQTBWBILM-VIFPVBQESA-N 0 3 278.378 -1.424 20 0 CAADHN CCN(CC)CC(=O)N1CC(NS(N)(=O)=O)C1 ZINC000913055749 656271516 /nfs/dbraw/zinc/27/15/16/656271516.db2.gz BLLJZHUHPSWOSJ-UHFFFAOYSA-N 0 3 264.351 -1.668 20 0 CAADHN CN1CCC[C@H]1C(=O)NC[C@@]1(CO)COCCN1 ZINC000913178276 656272348 /nfs/dbraw/zinc/27/23/48/656272348.db2.gz DVAGVTASXYQOTE-CMPLNLGQSA-N 0 3 257.334 -1.452 20 0 CAADHN CN1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(CO)COCCN1 ZINC000913177990 656272827 /nfs/dbraw/zinc/27/28/27/656272827.db2.gz BLUSYFMUOFBTKS-WXHSDQCUSA-N 0 3 287.360 -2.091 20 0 CAADHN CN1CCN(C)CC(C(=O)N[C@H]2COCCC2=O)C1 ZINC000913149497 656272987 /nfs/dbraw/zinc/27/29/87/656272987.db2.gz VDLHTXJLGCDDAA-NSHDSACASA-N 0 3 269.345 -1.046 20 0 CAADHN CN1C[C@H](O)C[C@]1(C)C(=O)NC[C@]1(CO)COCCN1 ZINC000913177988 656273343 /nfs/dbraw/zinc/27/33/43/656273343.db2.gz BLUSYFMUOFBTKS-RTXFEEFZSA-N 0 3 287.360 -2.091 20 0 CAADHN O=C(CN1CCCC1)NC[C@@]1(CO)COCCN1 ZINC000913182060 656273620 /nfs/dbraw/zinc/27/36/20/656273620.db2.gz CQHFGBLQWCQTLC-GFCCVEGCSA-N 0 3 257.334 -1.451 20 0 CAADHN O=C(NC[C@]1(CO)COCCN1)C1CN([C@H]2CCOC2)C1 ZINC000913178815 656273774 /nfs/dbraw/zinc/27/37/74/656273774.db2.gz KPKNTMSSGXZNNQ-JSGCOSHPSA-N 0 3 299.371 -1.826 20 0 CAADHN O=C(NC[C@@]1(CO)COCCN1)C1CN([C@H]2CCOC2)C1 ZINC000913178814 656274334 /nfs/dbraw/zinc/27/43/34/656274334.db2.gz KPKNTMSSGXZNNQ-GXTWGEPZSA-N 0 3 299.371 -1.826 20 0 CAADHN CN1CCC[C@@H]1C(=O)NC[C@@]1(CO)COCCN1 ZINC000913178279 656274616 /nfs/dbraw/zinc/27/46/16/656274616.db2.gz DVAGVTASXYQOTE-ZYHUDNBSSA-N 0 3 257.334 -1.452 20 0 CAADHN CN(C)C1(C(=O)NC[C@]2(CO)COCCN2)CC1 ZINC000913184858 656276489 /nfs/dbraw/zinc/27/64/89/656276489.db2.gz URFIIURBZRGWKG-NSHDSACASA-N 0 3 257.334 -1.452 20 0 CAADHN CN(CC(=O)NC[C@@]1(CO)COCCN1)C1CCC1 ZINC000913185356 656276834 /nfs/dbraw/zinc/27/68/34/656276834.db2.gz ZIFUXEMBZCPLBX-CYBMUJFWSA-N 0 3 271.361 -1.062 20 0 CAADHN CC[C@@H](C(=O)NC[C@]1(CO)COCCN1)N(C)C ZINC000913187482 656278015 /nfs/dbraw/zinc/27/80/15/656278015.db2.gz ZNAWMBYJTCZASA-JQWIXIFHSA-N 0 3 259.350 -1.206 20 0 CAADHN CCN(CC)CC(=O)NC[C@]1(CO)COCCN1 ZINC000913188463 656278121 /nfs/dbraw/zinc/27/81/21/656278121.db2.gz ITPNSSAQLJXIQO-LBPRGKRZSA-N 0 3 259.350 -1.205 20 0 CAADHN CC(C)N(C)CC(=O)NC[C@@]1(CO)COCCN1 ZINC000913190574 656279156 /nfs/dbraw/zinc/27/91/56/656279156.db2.gz LXMJVKASPCJPKP-GFCCVEGCSA-N 0 3 259.350 -1.206 20 0 CAADHN CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCN1CC[C@H](O)C1 ZINC000913351304 656281432 /nfs/dbraw/zinc/28/14/32/656281432.db2.gz CBSRVLHTYLXUKN-GVXVVHGQSA-N 0 3 271.361 -1.376 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@H]2CCN(CC(C)(C)O)C2)C1=O ZINC000913427347 656282432 /nfs/dbraw/zinc/28/24/32/656282432.db2.gz HACLKPKEJASIEL-QWRGUYRKSA-N 0 3 299.371 -1.195 20 0 CAADHN CN(C)CC1(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC000913367208 656282715 /nfs/dbraw/zinc/28/27/15/656282715.db2.gz ZXBGTECBHGUJTP-RKDXNWHRSA-N 0 3 276.358 -1.398 20 0 CAADHN CN(C)CCn1nccc1C(=O)N[C@@H]1COC[C@@H]1O ZINC000913434017 656283062 /nfs/dbraw/zinc/28/30/62/656283062.db2.gz ZMRJMKWVVRNHJD-KOLCDFICSA-N 0 3 268.317 -1.066 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(CC(=O)NCC2CC2)C1=O ZINC000924857848 656283201 /nfs/dbraw/zinc/28/32/01/656283201.db2.gz XADSBGVTCMRBCG-VIFPVBQESA-N 0 3 268.317 -1.005 20 0 CAADHN CN1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)C[C@@H]1CO ZINC000913541553 656284643 /nfs/dbraw/zinc/28/46/43/656284643.db2.gz PFBBUXAAMUKFLV-XQQFMLRXSA-N 0 3 283.372 -1.016 20 0 CAADHN COCCOCCNS(=O)(=O)N1CCNCC1 ZINC000044728229 656288680 /nfs/dbraw/zinc/28/86/80/656288680.db2.gz YWQFFGLVEGMINF-UHFFFAOYSA-N 0 3 267.351 -1.611 20 0 CAADHN COC[C@H]1COCCN1S(=O)(=O)C1CNC1 ZINC000923745586 656298699 /nfs/dbraw/zinc/29/86/99/656298699.db2.gz JFSNBAGLENCWMX-QMMMGPOBSA-N 0 3 250.320 -1.365 20 0 CAADHN O=C(NC1CN(CCO)C1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001030345218 656304932 /nfs/dbraw/zinc/30/49/32/656304932.db2.gz BIWJIVDUVFGBIR-VXGBXAGGSA-N 0 3 269.345 -1.358 20 0 CAADHN NC(=O)CN1CC(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001030348817 656305015 /nfs/dbraw/zinc/30/50/15/656305015.db2.gz XHRBKGMHCNNWJY-MNOVXSKESA-N 0 3 282.344 -1.865 20 0 CAADHN CNC(=O)CN1CC(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001030348634 656305018 /nfs/dbraw/zinc/30/50/18/656305018.db2.gz VRNFLEGDLQVUDE-VXGBXAGGSA-N 0 3 296.371 -1.604 20 0 CAADHN O=C(NC1CN(CCO)C1)[C@H]1CN2CCC[C@H]2CO1 ZINC001030345216 656305040 /nfs/dbraw/zinc/30/50/40/656305040.db2.gz BIWJIVDUVFGBIR-NWDGAFQWSA-N 0 3 269.345 -1.358 20 0 CAADHN NC(=O)CN1CC(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001030348818 656305128 /nfs/dbraw/zinc/30/51/28/656305128.db2.gz XHRBKGMHCNNWJY-QWRGUYRKSA-N 0 3 282.344 -1.865 20 0 CAADHN CNC(=O)CN1CC(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001030348631 656305142 /nfs/dbraw/zinc/30/51/42/656305142.db2.gz VRNFLEGDLQVUDE-NEPJUHHUSA-N 0 3 296.371 -1.604 20 0 CAADHN CO[C@@H](CN)C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000227362704 656309331 /nfs/dbraw/zinc/30/93/31/656309331.db2.gz CWWOASAQJUUCHA-JTQLQIEISA-N 0 3 272.349 -1.808 20 0 CAADHN COC(=O)N[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000228286088 656313344 /nfs/dbraw/zinc/31/33/44/656313344.db2.gz NHZGXGOJPJXJOR-VIFPVBQESA-N 0 3 292.361 -1.433 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)Cn2ncnn2)C1)N(C)C ZINC000991868765 656318084 /nfs/dbraw/zinc/31/80/84/656318084.db2.gz NQXAHBQNQFPGQD-SNVBAGLBSA-N 0 3 295.347 -1.660 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)Cn2ncnn2)C1 ZINC000991871769 656318696 /nfs/dbraw/zinc/31/86/96/656318696.db2.gz KOYAGWKIIJDEPY-SNVBAGLBSA-N 0 3 293.331 -1.906 20 0 CAADHN O=C(Cn1ncnn1)NC1CN(C(=O)CN2CCCC2)C1 ZINC000991875030 656319664 /nfs/dbraw/zinc/31/96/64/656319664.db2.gz CCCXRHJOQCSYLE-UHFFFAOYSA-N 0 3 293.331 -1.904 20 0 CAADHN NC(=O)c1ccc(CC(=O)N[C@H]2CCN(CCO)C2)cn1 ZINC001014942341 656320454 /nfs/dbraw/zinc/32/04/54/656320454.db2.gz SWTIKOQCOZCWSZ-NSHDSACASA-N 0 3 292.339 -1.094 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC(NC(=O)Cn2nccn2)C1 ZINC000991943716 656322786 /nfs/dbraw/zinc/32/27/86/656322786.db2.gz ZDZORJKNVTVBOX-LLVKDONJSA-N 0 3 292.343 -1.301 20 0 CAADHN O=C(Cn1nccn1)NC1CN(C(=O)CN2CCCC2)C1 ZINC000991951714 656323428 /nfs/dbraw/zinc/32/34/28/656323428.db2.gz VYWKHQJUAZUVOC-UHFFFAOYSA-N 0 3 292.343 -1.299 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)Cn2nccn2)C1)N(C)C ZINC000991943068 656323499 /nfs/dbraw/zinc/32/34/99/656323499.db2.gz RNOXFJWTSWSNPT-LLVKDONJSA-N 0 3 294.359 -1.055 20 0 CAADHN CO[C@H](C)CN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005282 656325949 /nfs/dbraw/zinc/32/59/49/656325949.db2.gz VFHSZKBDOKHQCD-MNOVXSKESA-N 0 3 297.359 -1.193 20 0 CAADHN COCCN(CCO)C[C@@H](O)C1(O)CCOCC1 ZINC000929485445 656326198 /nfs/dbraw/zinc/32/61/98/656326198.db2.gz IQMXMKPDWOXAJN-LLVKDONJSA-N 0 3 263.334 -1.171 20 0 CAADHN COC[C@H](C)N1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015012023 656326594 /nfs/dbraw/zinc/32/65/94/656326594.db2.gz ZLCUBLKYCLDISR-QWRGUYRKSA-N 0 3 297.359 -1.193 20 0 CAADHN CN1CC[C@H](N2CC[C@@]3(NC(=O)C(N)=O)CCC[C@@H]23)C1=O ZINC000992146810 656329736 /nfs/dbraw/zinc/32/97/36/656329736.db2.gz SZHHFHHFNDGITP-RBZYPMLTSA-N 0 3 294.355 -1.184 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@@H]1N([C@@H]1CCCNC1=O)CC2 ZINC000992147901 656330015 /nfs/dbraw/zinc/33/00/15/656330015.db2.gz XDMAKQDVTBGTIY-BFVZDQMLSA-N 0 3 294.355 -1.137 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015137528 656337024 /nfs/dbraw/zinc/33/70/24/656337024.db2.gz MUHJVMCVEWBXJF-NXEZZACHSA-N 0 3 296.327 -1.480 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)Cn2ccc(=O)[nH]c2=O)C1 ZINC001015137531 656337079 /nfs/dbraw/zinc/33/70/79/656337079.db2.gz MUHJVMCVEWBXJF-ZJUUUORDSA-N 0 3 296.327 -1.480 20 0 CAADHN NC(=O)CN1CC[C@@]2(NC(=O)Cc3nnc[nH]3)CCC[C@H]12 ZINC000992401081 656338115 /nfs/dbraw/zinc/33/81/15/656338115.db2.gz DXBXUWIOPBMXJK-ZANVPECISA-N 0 3 292.343 -1.054 20 0 CAADHN CN1CC[C@](O)(CNC(=O)NC[C@H]2COCO2)C1 ZINC000923854302 656338431 /nfs/dbraw/zinc/33/84/31/656338431.db2.gz XQGPGMVOUMVSFO-ONGXEEELSA-N 0 3 259.306 -1.275 20 0 CAADHN O=S(=O)(NCCNc1cnccn1)N1CCNCC1 ZINC000923596389 656339298 /nfs/dbraw/zinc/33/92/98/656339298.db2.gz GSGPCLAAXHTTRH-UHFFFAOYSA-N 0 3 286.361 -1.372 20 0 CAADHN COC(=O)C1(O)CN(C(=O)c2ccnn2CCN(C)C)C1 ZINC000913774209 656339497 /nfs/dbraw/zinc/33/94/97/656339497.db2.gz HSAMDHGBBGHQGD-UHFFFAOYSA-N 0 3 296.327 -1.195 20 0 CAADHN C[C@H]1[C@@H](NC(=O)NCCNS(C)(=O)=O)CCN1C ZINC000914004190 656342949 /nfs/dbraw/zinc/34/29/49/656342949.db2.gz CUKMWSSVOBDCTA-IUCAKERBSA-N 0 3 278.378 -1.073 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NC1CN(Cc2nnnn2C)C1 ZINC001030954620 656341469 /nfs/dbraw/zinc/34/14/69/656341469.db2.gz ZHVAEEXFCNQJKU-SNVBAGLBSA-N 0 3 293.375 -1.005 20 0 CAADHN C[C@H]1CCCN1CC(=O)NC1CN(CC(N)=O)C1 ZINC001030956024 656341939 /nfs/dbraw/zinc/34/19/39/656341939.db2.gz QKDVANFXMOQIPE-VIFPVBQESA-N 0 3 254.334 -1.244 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2CN(Cc3nnnn3C)C2)C1 ZINC001030959179 656341998 /nfs/dbraw/zinc/34/19/98/656341998.db2.gz FBZIMCVACJJGDX-SNVBAGLBSA-N 0 3 293.375 -1.148 20 0 CAADHN C[C@H]1CN(S(=O)(=O)[C@@H]2COC[C@H]2O)C[C@@H]1N(C)C ZINC000914241357 656346842 /nfs/dbraw/zinc/34/68/42/656346842.db2.gz JNJPMQIYTFPJFX-UKKRHICBSA-N 0 3 278.374 -1.042 20 0 CAADHN CN1CCC[C@H]1CNC(=O)N1CC(S(N)(=O)=O)C1 ZINC000914392146 656347582 /nfs/dbraw/zinc/34/75/82/656347582.db2.gz UKBIDXTZWBZRGQ-QMMMGPOBSA-N 0 3 276.362 -1.237 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)N1CC(S(N)(=O)=O)C1 ZINC000914392145 656347782 /nfs/dbraw/zinc/34/77/82/656347782.db2.gz UKBIDXTZWBZRGQ-MRVPVSSYSA-N 0 3 276.362 -1.237 20 0 CAADHN C[C@H]1[C@H](NC(=O)Cn2cnnn2)CCCN1CCO ZINC000993020596 656350341 /nfs/dbraw/zinc/35/03/41/656350341.db2.gz YFPYFBWUTSDLKA-VHSXEESVSA-N 0 3 268.321 -1.366 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CCN(CCCF)C1 ZINC001015511268 656350770 /nfs/dbraw/zinc/35/07/70/656350770.db2.gz VRZZFFSGGVXVEJ-LLVKDONJSA-N 0 3 286.351 -1.032 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCN(C[C@H](O)CO)CC1 ZINC000929848637 656353881 /nfs/dbraw/zinc/35/38/81/656353881.db2.gz OWVKBVIGGXRJDV-RYUDHWBXSA-N 0 3 271.361 -1.422 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CCCN1CCO ZINC000993216999 656356096 /nfs/dbraw/zinc/35/60/96/656356096.db2.gz OKMXWRQUAHQHFH-ZJUUUORDSA-N 0 3 283.332 -1.055 20 0 CAADHN C[C@H]1[C@@H](NC(=O)Cn2ncnn2)CCCN1CCO ZINC000993350931 656358668 /nfs/dbraw/zinc/35/86/68/656358668.db2.gz NWYJJYXKZRDRDP-UWVGGRQHSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@H]1[C@H](NC(=O)CN2CCOCC2=O)CCCN1CCO ZINC000993425196 656359601 /nfs/dbraw/zinc/35/96/01/656359601.db2.gz OKSIYWSDWSMGRG-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@H]1[C@H](NC(=O)Cn2ncn(C)c2=O)CCCN1CCO ZINC000993518481 656360730 /nfs/dbraw/zinc/36/07/30/656360730.db2.gz YXZMHVAZVXMZOJ-WDEREUQCSA-N 0 3 297.359 -1.457 20 0 CAADHN NC(=O)C(=O)N1CC(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000993573450 656361044 /nfs/dbraw/zinc/36/10/44/656361044.db2.gz YFYSSDPKMWZNBD-UWVGGRQHSA-N 0 3 296.327 -2.338 20 0 CAADHN C[C@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCCN1CCO ZINC000993700935 656361416 /nfs/dbraw/zinc/36/14/16/656361416.db2.gz LWUZTXYDBOBXKZ-RYUDHWBXSA-N 0 3 298.387 -1.620 20 0 CAADHN CCN1CCCC[C@@H]1C(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000993882790 656361914 /nfs/dbraw/zinc/36/19/14/656361914.db2.gz VBCPKPNFDIYIFU-SNVBAGLBSA-N 0 3 282.344 -1.327 20 0 CAADHN CCCN1CCC[C@@H]1C(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000993804782 656362231 /nfs/dbraw/zinc/36/22/31/656362231.db2.gz FOLIDMIIFVAIFC-SNVBAGLBSA-N 0 3 282.344 -1.327 20 0 CAADHN CCCN1CCC[C@H]1C(=O)NC1CN(C(=O)C(N)=O)C1 ZINC000993804781 656362353 /nfs/dbraw/zinc/36/23/53/656362353.db2.gz FOLIDMIIFVAIFC-JTQLQIEISA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1[C@H](NC(=O)CN2CC(=O)NC2=O)CCCN1CCO ZINC000994016037 656362934 /nfs/dbraw/zinc/36/29/34/656362934.db2.gz CBCAMFYKDGZLDU-NXEZZACHSA-N 0 3 298.343 -1.500 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CN([C@H]2CCNC2=O)C1 ZINC001031313307 656363957 /nfs/dbraw/zinc/36/39/57/656363957.db2.gz ICOQUVPQWOCNNX-NSHDSACASA-N 0 3 277.328 -1.050 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CN(Cc2nnn(C)n2)C1 ZINC001031313619 656363968 /nfs/dbraw/zinc/36/39/68/656363968.db2.gz QXPDDMPGYKKRRX-UHFFFAOYSA-N 0 3 290.331 -1.215 20 0 CAADHN C[C@H]1[C@H](NC(=O)CN2C(=O)CNC2=O)CCCN1CCO ZINC000994368679 656365035 /nfs/dbraw/zinc/36/50/35/656365035.db2.gz WAXPWDRIIDRPMR-VHSXEESVSA-N 0 3 298.343 -1.500 20 0 CAADHN O=S(=O)(NCCNc1cnccn1)C1CNC1 ZINC000923598893 656367233 /nfs/dbraw/zinc/36/72/33/656367233.db2.gz YMINIICEIVHRAP-UHFFFAOYSA-N 0 3 257.319 -1.220 20 0 CAADHN CN(C)CCCS(=O)(=O)N1CCOC[C@@H]1CO ZINC000917275754 656367893 /nfs/dbraw/zinc/36/78/93/656367893.db2.gz MGXHLDZEYAZTKG-JTQLQIEISA-N 0 3 266.363 -1.039 20 0 CAADHN C[C@H](CCO)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000929983897 656368655 /nfs/dbraw/zinc/36/86/55/656368655.db2.gz JJCPUJDAOJDAHM-IJLUTSLNSA-N 0 3 292.401 -1.155 20 0 CAADHN CN(C)CCN1CCN(C(=O)N[C@@H]2COC(=O)C2)CC1=O ZINC000923757693 656370460 /nfs/dbraw/zinc/37/04/60/656370460.db2.gz VCTROENBFWUEIM-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN CCC[C@@H]1CN(C[C@H](O)CO)CCN1C[C@H](O)CO ZINC000930022096 656371709 /nfs/dbraw/zinc/37/17/09/656371709.db2.gz SWTMZHLDAJNREY-AGIUHOORSA-N 0 3 276.377 -1.521 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001031597398 656377107 /nfs/dbraw/zinc/37/71/07/656377107.db2.gz ZNQSGOXPARJTRQ-PWSUYJOCSA-N 0 3 271.361 -1.254 20 0 CAADHN CN1CCO[C@H](C(=O)NCC2CN(CCCO)C2)C1 ZINC001031594139 656377299 /nfs/dbraw/zinc/37/72/99/656377299.db2.gz UJDCONQZDOCCKG-LBPRGKRZSA-N 0 3 271.361 -1.253 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001031597399 656377342 /nfs/dbraw/zinc/37/73/42/656377342.db2.gz ZNQSGOXPARJTRQ-ZYHUDNBSSA-N 0 3 271.361 -1.254 20 0 CAADHN CC[C@H](C)[C@@H]1CN(C[C@H](O)CO)CCN1C[C@H](O)CO ZINC000930079713 656377375 /nfs/dbraw/zinc/37/73/75/656377375.db2.gz IINNYVXBAIYDJT-XUXIUFHCSA-N 0 3 290.404 -1.275 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001031613997 656378043 /nfs/dbraw/zinc/37/80/43/656378043.db2.gz UHWAKCMMLKDDGO-MWLCHTKSSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2COCCN2C)C1 ZINC001031620697 656378076 /nfs/dbraw/zinc/37/80/76/656378076.db2.gz BENWCFHGUIKQOS-ZYHUDNBSSA-N 0 3 271.361 -1.254 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001031613995 656378154 /nfs/dbraw/zinc/37/81/54/656378154.db2.gz UHWAKCMMLKDDGO-GXSJLCMTSA-N 0 3 269.345 -1.059 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@H]1CCNC(=O)C1 ZINC001031611487 656378164 /nfs/dbraw/zinc/37/81/64/656378164.db2.gz OATMJMUEZQHZPE-NSHDSACASA-N 0 3 269.345 -1.057 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1 ZINC001031613998 656378220 /nfs/dbraw/zinc/37/82/20/656378220.db2.gz UHWAKCMMLKDDGO-ONGXEEELSA-N 0 3 269.345 -1.059 20 0 CAADHN CC(=O)N1CC(C(=O)NCC2CN(CCCO)C2)C1 ZINC001031635448 656379140 /nfs/dbraw/zinc/37/91/40/656379140.db2.gz UFGKCSHHCBDKDE-UHFFFAOYSA-N 0 3 269.345 -1.105 20 0 CAADHN CCN(CCO)CCNC(=O)NC[C@H]1COCO1 ZINC000923853065 656382652 /nfs/dbraw/zinc/38/26/52/656382652.db2.gz QNARIVWFIZRESP-JTQLQIEISA-N 0 3 261.322 -1.027 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2CCN(C(=O)C(N)=O)CC2)C1 ZINC000948080339 656385082 /nfs/dbraw/zinc/38/50/82/656385082.db2.gz KOBVECAFCHBMCU-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001031711595 656385148 /nfs/dbraw/zinc/38/51/48/656385148.db2.gz IVPAJWKWNUYABP-KOLCDFICSA-N 0 3 269.345 -1.107 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000938586523 656388047 /nfs/dbraw/zinc/38/80/47/656388047.db2.gz YRXWEVNUGMKJKQ-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000938586522 656388274 /nfs/dbraw/zinc/38/82/74/656388274.db2.gz YRXWEVNUGMKJKQ-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN CC1(C)CCN(CC(=O)N2CC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000938586072 656388553 /nfs/dbraw/zinc/38/85/53/656388553.db2.gz FGYCQMSZBSBJTM-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000938588036 656389125 /nfs/dbraw/zinc/38/91/25/656389125.db2.gz LHAPQHKOOLLCBO-VIFPVBQESA-N 0 3 268.317 -1.715 20 0 CAADHN Cn1cnc(C(=O)NCC2CN(CCCO)C2)cc1=O ZINC001031740185 656389356 /nfs/dbraw/zinc/38/93/56/656389356.db2.gz ROOPHYMEWAFFKO-UHFFFAOYSA-N 0 3 280.328 -1.176 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031741437 656389750 /nfs/dbraw/zinc/38/97/50/656389750.db2.gz SHOZYHDAEAICKT-VIFPVBQESA-N 0 3 280.328 -1.177 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001031741435 656389773 /nfs/dbraw/zinc/38/97/73/656389773.db2.gz SHOZYHDAEAICKT-SECBINFHSA-N 0 3 280.328 -1.177 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCCNC2=O)C1 ZINC001031748818 656390073 /nfs/dbraw/zinc/39/00/73/656390073.db2.gz JGLFYQOOLWUIBA-MWLCHTKSSA-N 0 3 269.345 -1.059 20 0 CAADHN O=C(Cn1ccnc1)NC1CN(C(=O)Cc2ncn[nH]2)C1 ZINC000994918634 656392851 /nfs/dbraw/zinc/39/28/51/656392851.db2.gz VTBIXYPIUGIPHM-UHFFFAOYSA-N 0 3 289.299 -1.429 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001031801920 656392920 /nfs/dbraw/zinc/39/29/20/656392920.db2.gz IGBJOHDIKOHEQQ-GXSJLCMTSA-N 0 3 269.345 -1.059 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@@H]1CCC(=O)NC1 ZINC001031803380 656393279 /nfs/dbraw/zinc/39/32/79/656393279.db2.gz BNIZSFKICDVOJP-LLVKDONJSA-N 0 3 269.345 -1.057 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001031801922 656393353 /nfs/dbraw/zinc/39/33/53/656393353.db2.gz IGBJOHDIKOHEQQ-MWLCHTKSSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1NCC(N)=O ZINC000939305300 656393656 /nfs/dbraw/zinc/39/36/56/656393656.db2.gz YLZZXPMFDMYWFR-VXNVDRBHSA-N 0 3 296.327 -2.039 20 0 CAADHN C[C@H]1CN(C(=O)C2CC(=O)NC(=O)C2)C[C@H]1NCC(N)=O ZINC000939305299 656393799 /nfs/dbraw/zinc/39/37/99/656393799.db2.gz YLZZXPMFDMYWFR-IONNQARKSA-N 0 3 296.327 -2.039 20 0 CAADHN C[C@@H]1CN(C(=O)CCN2CCOCC2)C[C@H]1NCC(N)=O ZINC000939320477 656393939 /nfs/dbraw/zinc/39/39/39/656393939.db2.gz UVYUJAPIMFQMMQ-VXGBXAGGSA-N 0 3 298.387 -1.370 20 0 CAADHN C[C@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1NCC(N)=O ZINC000939310599 656394119 /nfs/dbraw/zinc/39/41/19/656394119.db2.gz ZSLKETJBMMIUBF-IONNQARKSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@H]1NCC(N)=O ZINC000939328593 656394157 /nfs/dbraw/zinc/39/41/57/656394157.db2.gz ILHVBVFAAQBZNI-HTQZYQBOSA-N 0 3 297.315 -2.540 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@@H]1NCC(N)=O ZINC000939310597 656394205 /nfs/dbraw/zinc/39/42/05/656394205.db2.gz ZSLKETJBMMIUBF-APPZFPTMSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1[NH2+]CC(N)=O ZINC000939338523 656394595 /nfs/dbraw/zinc/39/45/95/656394595.db2.gz PMMIIPBMVPJGGR-RNFRBKRXSA-N 0 3 252.278 -1.660 20 0 CAADHN C[C@@H]1CCN(CC(=O)N(C)[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000939377222 656394715 /nfs/dbraw/zinc/39/47/15/656394715.db2.gz XFUMHMILTOWEFS-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1NCC(N)=O ZINC000939412852 656396407 /nfs/dbraw/zinc/39/64/07/656396407.db2.gz HQODMONALZGEDS-IUCAKERBSA-N 0 3 265.317 -1.126 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1NCC(N)=O ZINC000939685562 656397871 /nfs/dbraw/zinc/39/78/71/656397871.db2.gz CIWIGYYIXOTMDQ-RKDXNWHRSA-N 0 3 266.305 -1.800 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1NC(=O)C(N)=O ZINC000939699512 656398671 /nfs/dbraw/zinc/39/86/71/656398671.db2.gz DMMMDAQCEMIDOO-IEBDPFPHSA-N 0 3 296.371 -1.225 20 0 CAADHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1NC(=O)C(N)=O ZINC000939699155 656398675 /nfs/dbraw/zinc/39/86/75/656398675.db2.gz JMZNNPNRAKFBJY-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@H]1NCC(N)=O ZINC000939711613 656398986 /nfs/dbraw/zinc/39/89/86/656398986.db2.gz JZMVZRHZZYWTPK-GHMZBOCLSA-N 0 3 292.339 -1.230 20 0 CAADHN C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C(N)=O ZINC000939691321 656399184 /nfs/dbraw/zinc/39/91/84/656399184.db2.gz IDLUXHCSOPCHIU-MWLCHTKSSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CN(C(=O)c2c[nH]c(C(N)=O)c2)C[C@H]1NCC(N)=O ZINC000939759360 656399502 /nfs/dbraw/zinc/39/95/02/656399502.db2.gz OIEKKEURANPEHW-GMSGAONNSA-N 0 3 293.327 -1.351 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1NCC(N)=O ZINC000939825183 656399664 /nfs/dbraw/zinc/39/96/64/656399664.db2.gz GZSLVZJCLWFNIZ-RKDXNWHRSA-N 0 3 295.343 -1.741 20 0 CAADHN Cn1cc(C(=O)NCC2CN(CCCO)C2)ncc1=O ZINC001031860599 656400003 /nfs/dbraw/zinc/40/00/03/656400003.db2.gz OBQHOAMWTQENDN-UHFFFAOYSA-N 0 3 280.328 -1.176 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001031862588 656400448 /nfs/dbraw/zinc/40/04/48/656400448.db2.gz HCRFZBQAXSXXFB-SECBINFHSA-N 0 3 280.328 -1.177 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@H]1CCNC1=O ZINC001031899339 656402932 /nfs/dbraw/zinc/40/29/32/656402932.db2.gz XOPNFPLQGBHYHC-JTQLQIEISA-N 0 3 255.318 -1.447 20 0 CAADHN CN1C[C@H](C(=O)NCC2CN(CCCO)C2)NC1=O ZINC001031896577 656403165 /nfs/dbraw/zinc/40/31/65/656403165.db2.gz IGZQGZYWSHZZAM-SNVBAGLBSA-N 0 3 270.333 -1.560 20 0 CAADHN CN1C[C@@H](C(=O)NCC2CN(CCCO)C2)NC1=O ZINC001031896573 656403305 /nfs/dbraw/zinc/40/33/05/656403305.db2.gz IGZQGZYWSHZZAM-JTQLQIEISA-N 0 3 270.333 -1.560 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001031901066 656403614 /nfs/dbraw/zinc/40/36/14/656403614.db2.gz KWHUYELUUYHXGF-PSASIEDQSA-N 0 3 270.333 -1.561 20 0 CAADHN NC(=O)[C@H]1CC[C@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031901344 656403675 /nfs/dbraw/zinc/40/36/75/656403675.db2.gz RQUJVOFFVLOOEO-WDEREUQCSA-N 0 3 269.345 -1.072 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001031901067 656403793 /nfs/dbraw/zinc/40/37/93/656403793.db2.gz KWHUYELUUYHXGF-SCZZXKLOSA-N 0 3 270.333 -1.561 20 0 CAADHN NC(=O)[C@@H]1CC[C@H]1C(=O)NCC1CN(CCCO)C1 ZINC001031901341 656404197 /nfs/dbraw/zinc/40/41/97/656404197.db2.gz RQUJVOFFVLOOEO-GHMZBOCLSA-N 0 3 269.345 -1.072 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001031903235 656404896 /nfs/dbraw/zinc/40/48/96/656404896.db2.gz XOVIOYKMVHTLFG-WPRPVWTQSA-N 0 3 255.318 -1.449 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001031912717 656406246 /nfs/dbraw/zinc/40/62/46/656406246.db2.gz OIYXHPVWYUPYJV-ONGXEEELSA-N 0 3 269.345 -1.107 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)c2c[nH]c(=O)cn2)C1 ZINC001031933999 656408430 /nfs/dbraw/zinc/40/84/30/656408430.db2.gz VWQYUTQKSIMTFU-QMMMGPOBSA-N 0 3 266.301 -1.188 20 0 CAADHN O=C(NCC1CN(CCCO)C1)c1c[nH]c(=O)cn1 ZINC001031934708 656408879 /nfs/dbraw/zinc/40/88/79/656408879.db2.gz VOPSBXYTDINLEM-UHFFFAOYSA-N 0 3 266.301 -1.186 20 0 CAADHN CO[C@H](C)CN1CC(CNC(=O)[C@H]2CNC(=O)N2)C1 ZINC001031941475 656409989 /nfs/dbraw/zinc/40/99/89/656409989.db2.gz DWPRVEHWUFKTOB-PSASIEDQSA-N 0 3 270.333 -1.249 20 0 CAADHN C[C@H](O)CN1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031941121 656410073 /nfs/dbraw/zinc/41/00/73/656410073.db2.gz ANNXNINTMUHXNZ-CBAPKCEASA-N 0 3 256.306 -1.903 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031941120 656410478 /nfs/dbraw/zinc/41/04/78/656410478.db2.gz ANNXNINTMUHXNZ-APPZFPTMSA-N 0 3 256.306 -1.903 20 0 CAADHN COC[C@@H](C)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031943157 656410790 /nfs/dbraw/zinc/41/07/90/656410790.db2.gz XWKRXPCUWJPACT-SCZZXKLOSA-N 0 3 270.333 -1.249 20 0 CAADHN COC[C@H](C)N1CC(CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001031943159 656410815 /nfs/dbraw/zinc/41/08/15/656410815.db2.gz XWKRXPCUWJPACT-WPRPVWTQSA-N 0 3 270.333 -1.249 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@@H]1CNC(=O)N1 ZINC001031943320 656410831 /nfs/dbraw/zinc/41/08/31/656410831.db2.gz ZXYOMYKXNNSZEU-VIFPVBQESA-N 0 3 256.306 -1.902 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001031982145 656450338 /nfs/dbraw/zinc/45/03/38/656450338.db2.gz HNNNXKMLIFYTSH-QNSHHTMESA-N 0 3 255.318 -1.463 20 0 CAADHN CC1(C)CCN(CC(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000942307636 656457830 /nfs/dbraw/zinc/45/78/30/656457830.db2.gz FGYCQMSZBSBJTM-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CC[C@@H](NC(=O)C(N)=O)C2)C1 ZINC000942308686 656457899 /nfs/dbraw/zinc/45/78/99/656457899.db2.gz YRXWEVNUGMKJKQ-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CCN1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032013699 656459412 /nfs/dbraw/zinc/45/94/12/656459412.db2.gz JPXJORCADLKNEN-QMMMGPOBSA-N 0 3 254.290 -1.348 20 0 CAADHN COC[C@@H](C)N1CC(CNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032014096 656459430 /nfs/dbraw/zinc/45/94/30/656459430.db2.gz UUYKXECKBBEDER-SCZZXKLOSA-N 0 3 298.343 -1.333 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H]1CCCN(CCCO)C1 ZINC001007168426 656459578 /nfs/dbraw/zinc/45/95/78/656459578.db2.gz QHLCZCZCQHIEQA-SNVBAGLBSA-N 0 3 283.332 -1.053 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC000942433337 656460331 /nfs/dbraw/zinc/46/03/31/656460331.db2.gz REJANRIJGUEISX-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H]1CN(CCO)CC[C@H]1NC(=O)c1nnn(C)n1 ZINC000942567038 656460409 /nfs/dbraw/zinc/46/04/09/656460409.db2.gz CZJRHLNCUIOWDQ-RKDXNWHRSA-N 0 3 268.321 -1.357 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@@H]2CCN(C(=O)C(N)=O)C2)C1 ZINC000942432837 656460433 /nfs/dbraw/zinc/46/04/33/656460433.db2.gz VBLYHQOWDGIRJL-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CCN1CC(CNC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001032021207 656460451 /nfs/dbraw/zinc/46/04/51/656460451.db2.gz KUZHOAOHOQBJLW-UHFFFAOYSA-N 0 3 280.328 -1.235 20 0 CAADHN C[C@H]1CN(CCn2cncn2)CC[C@@H]1NC(=O)C(N)=O ZINC000942595105 656461449 /nfs/dbraw/zinc/46/14/49/656461449.db2.gz UBQJAEFASXMQSO-UWVGGRQHSA-N 0 3 280.332 -1.410 20 0 CAADHN C[C@H]1CN(CCN2CCNC2=O)CC[C@H]1NC(=O)C(N)=O ZINC000942591227 656461823 /nfs/dbraw/zinc/46/18/23/656461823.db2.gz GOZJXGPZNWNSGM-VHSXEESVSA-N 0 3 297.359 -1.677 20 0 CAADHN C[C@H]1CN(CC(N)=O)CC[C@H]1NC(=O)c1ncn[nH]1 ZINC000943702581 656465288 /nfs/dbraw/zinc/46/52/88/656465288.db2.gz OYPLPGJUCZNZII-JGVFFNPUSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@H]1CN(CC(N)=O)CC[C@H]1NC(=O)c1nc[nH]n1 ZINC000943702581 656465293 /nfs/dbraw/zinc/46/52/93/656465293.db2.gz OYPLPGJUCZNZII-JGVFFNPUSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)Cn2cnnn2)CC1(C)C)C(N)=O ZINC000995418174 656465811 /nfs/dbraw/zinc/46/58/11/656465811.db2.gz VWAUNBILWOWFLL-RKDXNWHRSA-N 0 3 295.347 -1.627 20 0 CAADHN CC1(C)CN(C(=O)CN2CCCC2=O)C[C@@H]1NCC(N)=O ZINC000995426585 656465989 /nfs/dbraw/zinc/46/59/89/656465989.db2.gz GQSFDKLFEOXICT-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN CC1(C)CN(C(=O)CN2CCCC2=O)C[C@H]1NCC(N)=O ZINC000995426587 656466456 /nfs/dbraw/zinc/46/64/56/656466456.db2.gz GQSFDKLFEOXICT-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H](CS(C)(=O)=O)NS(=O)(=O)N1CCNCC1 ZINC000081904715 656466484 /nfs/dbraw/zinc/46/64/84/656466484.db2.gz IWZIZHOBKOJOCT-QMMMGPOBSA-N 0 3 285.391 -1.841 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)NCC2CN(CCCO)C2)C1 ZINC001032163917 656466732 /nfs/dbraw/zinc/46/67/32/656466732.db2.gz LYLDUSJTGFPMFQ-CYBMUJFWSA-N 0 3 299.371 -1.336 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)NCC2CN(C[C@@H](C)O)C2)C1 ZINC001032163983 656466793 /nfs/dbraw/zinc/46/67/93/656466793.db2.gz NWTFMYXQJHJPBF-MFKMUULPSA-N 0 3 299.371 -1.338 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032136596 656467593 /nfs/dbraw/zinc/46/75/93/656467593.db2.gz AYSKGMNVBDGGII-SCZZXKLOSA-N 0 3 255.318 -1.306 20 0 CAADHN Cn1cc(C(=O)NCC2CN(CCCO)C2)c(=O)[nH]c1=O ZINC001032184247 656468308 /nfs/dbraw/zinc/46/83/08/656468308.db2.gz NROJWEQAUANQFM-UHFFFAOYSA-N 0 3 296.327 -1.470 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001032184683 656468603 /nfs/dbraw/zinc/46/86/03/656468603.db2.gz VQANWUTYMJKEBX-MRVPVSSYSA-N 0 3 296.327 -1.472 20 0 CAADHN O=C(NCC1CN(CCCO)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001032193862 656469834 /nfs/dbraw/zinc/46/98/34/656469834.db2.gz IVULQBLCKLWXFB-JTQLQIEISA-N 0 3 291.373 -1.892 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001032194500 656470110 /nfs/dbraw/zinc/47/01/10/656470110.db2.gz RIEPLTSFVJMZDR-PSASIEDQSA-N 0 3 291.373 -1.893 20 0 CAADHN CCN1CCO[C@H](C(=O)NCC2CN(CCO)C2)C1 ZINC001032196734 656470393 /nfs/dbraw/zinc/47/03/93/656470393.db2.gz AWEXRLKVEQPNIM-LBPRGKRZSA-N 0 3 271.361 -1.253 20 0 CAADHN CC(C)N1CC(CNC(=O)c2cn(CC(N)=O)nn2)C1 ZINC001032206426 656471826 /nfs/dbraw/zinc/47/18/26/656471826.db2.gz ACEXESKSUBFJPC-UHFFFAOYSA-N 0 3 280.332 -1.167 20 0 CAADHN NC(=O)Cn1cc(C(=O)NCC2CN(CCCF)C2)nn1 ZINC001032206101 656472018 /nfs/dbraw/zinc/47/20/18/656472018.db2.gz RUOBNNGSNXHJAP-UHFFFAOYSA-N 0 3 298.322 -1.215 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2COCCO2)C[C@@H]1NCC(N)=O ZINC000995507115 656472229 /nfs/dbraw/zinc/47/22/29/656472229.db2.gz UOTMYVPNPIKYLW-ZJUUUORDSA-N 0 3 285.344 -1.286 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1N[C@H]1CCCNC1=O ZINC000995558198 656473597 /nfs/dbraw/zinc/47/35/97/656473597.db2.gz FOGYGRLBBRTUGH-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](N[C@H]1CN(C(=O)CC(N)=O)CC1(C)C)C(N)=O ZINC000995566689 656473634 /nfs/dbraw/zinc/47/36/34/656473634.db2.gz RNUDZNOAQHINDI-YUMQZZPRSA-N 0 3 270.333 -1.438 20 0 CAADHN CC[C@@H](N[C@@H]1CN(C(=O)CC(N)=O)CC1(C)C)C(N)=O ZINC000995574276 656473713 /nfs/dbraw/zinc/47/37/13/656473713.db2.gz MOLQZBIXCYRCTF-RKDXNWHRSA-N 0 3 284.360 -1.048 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@@H]1NCC(N)=O ZINC000995574784 656473732 /nfs/dbraw/zinc/47/37/32/656473732.db2.gz OUASQEWUUJZQAL-ZETCQYMHSA-N 0 3 256.306 -1.826 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CC(N)=O)CC1(C)C)C(N)=O ZINC000995566682 656473805 /nfs/dbraw/zinc/47/38/05/656473805.db2.gz RNUDZNOAQHINDI-JGVFFNPUSA-N 0 3 270.333 -1.438 20 0 CAADHN CC1(C)CN(C(=O)CC(N)=O)C[C@H]1N[C@@H]1CCCNC1=O ZINC000995558187 656473927 /nfs/dbraw/zinc/47/39/27/656473927.db2.gz FOGYGRLBBRTUGH-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CN(C(=O)CC(N)=O)CC2(C)C)C1=O ZINC000995574245 656474070 /nfs/dbraw/zinc/47/40/70/656474070.db2.gz MLJDDCLJZVDDHE-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H](O)CN1CC(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001032226643 656475281 /nfs/dbraw/zinc/47/52/81/656475281.db2.gz PZCUKNGWXRZKDP-KOLCDFICSA-N 0 3 284.360 -1.042 20 0 CAADHN Cn1ncc(C(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)n1 ZINC000995690066 656476313 /nfs/dbraw/zinc/47/63/13/656476313.db2.gz QTPDQCYVCCZCTK-NSHDSACASA-N 0 3 292.343 -1.150 20 0 CAADHN Cn1ncc(C(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)n1 ZINC000995690064 656476954 /nfs/dbraw/zinc/47/69/54/656476954.db2.gz QTPDQCYVCCZCTK-LLVKDONJSA-N 0 3 292.343 -1.150 20 0 CAADHN CC1(C)CN(C(=O)CN2CCOCC2)C[C@H]1NCC(N)=O ZINC000995692652 656477632 /nfs/dbraw/zinc/47/76/32/656477632.db2.gz FLQRUSUQJZCPRU-LLVKDONJSA-N 0 3 298.387 -1.370 20 0 CAADHN CC1(C)CN(C(=O)CN2CN=NC2=O)C[C@@H]1NCC(N)=O ZINC000995692432 656477668 /nfs/dbraw/zinc/47/76/68/656477668.db2.gz DGELPASPXOBNER-QMMMGPOBSA-N 0 3 296.331 -1.704 20 0 CAADHN Cn1ncc(C(=O)NC2CN(C(=O)CN3CCCC3)C2)n1 ZINC000995709997 656482063 /nfs/dbraw/zinc/48/20/63/656482063.db2.gz HIQCSTNYBQXQIE-UHFFFAOYSA-N 0 3 292.343 -1.149 20 0 CAADHN Cn1cnc(C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)n1 ZINC000995764318 656483601 /nfs/dbraw/zinc/48/36/01/656483601.db2.gz CAGDPESVDGDCIF-QMMMGPOBSA-N 0 3 280.332 -1.259 20 0 CAADHN CC1(C)CN(C(=O)Cn2ncnn2)C[C@@H]1NCC(N)=O ZINC000995799522 656484592 /nfs/dbraw/zinc/48/45/92/656484592.db2.gz XJMJMPVZOXMGGF-QMMMGPOBSA-N 0 3 281.320 -2.015 20 0 CAADHN CC1(C)CN(C(=O)CCn2ccnn2)C[C@@H]1NCC(N)=O ZINC000995727417 656484634 /nfs/dbraw/zinc/48/46/34/656484634.db2.gz MFIOPDIGLPPWLP-JTQLQIEISA-N 0 3 294.359 -1.020 20 0 CAADHN CN1C[C@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)CC1=O ZINC000995875367 656485219 /nfs/dbraw/zinc/48/52/19/656485219.db2.gz VWMNNOUZOKZAJJ-NXEZZACHSA-N 0 3 296.371 -1.223 20 0 CAADHN CC1(C)CN(C(=O)c2cn[nH]n2)C[C@@H]1NCC(N)=O ZINC000995991180 656485358 /nfs/dbraw/zinc/48/53/58/656485358.db2.gz ZDTWGJVIIYVTQR-QMMMGPOBSA-N 0 3 266.305 -1.270 20 0 CAADHN CC1(C)CN(C(=O)[C@H]2CCNC2=O)C[C@@H]1NCC(N)=O ZINC000996127620 656486039 /nfs/dbraw/zinc/48/60/39/656486039.db2.gz PTUHYDMWIAAKKZ-IUCAKERBSA-N 0 3 282.344 -1.566 20 0 CAADHN CC1(C)CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1NCC(N)=O ZINC000995890044 656486352 /nfs/dbraw/zinc/48/63/52/656486352.db2.gz YJLBXHPNUDRPLO-NXEZZACHSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CCCNC2=O)C[C@H]1NCC(N)=O ZINC000995929316 656486368 /nfs/dbraw/zinc/48/63/68/656486368.db2.gz VPFKFAIGPRZBDQ-NXEZZACHSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)Cn2nccn2)CC1(C)C)C(N)=O ZINC000995850283 656486600 /nfs/dbraw/zinc/48/66/00/656486600.db2.gz AQYKPAKXILPGAG-VHSXEESVSA-N 0 3 294.359 -1.022 20 0 CAADHN CC1(C)CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1NCC(N)=O ZINC000996070532 656486671 /nfs/dbraw/zinc/48/66/71/656486671.db2.gz ABGJJTPKWOIVNY-YMTOWFKASA-N 0 3 296.371 -1.176 20 0 CAADHN CCN1CC[C@@H](N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O ZINC000996224201 656487034 /nfs/dbraw/zinc/48/70/34/656487034.db2.gz AJBBRJYOSBRDIA-ZJUUUORDSA-N 0 3 296.371 -1.081 20 0 CAADHN CC1(C)CN(C(=O)C(N)=O)C[C@H]1N[C@H]1CCCNC1=O ZINC000996229529 656487571 /nfs/dbraw/zinc/48/75/71/656487571.db2.gz NZJALYGQBCAKBL-DTWKUNHWSA-N 0 3 282.344 -1.423 20 0 CAADHN CN1CC[C@@H](C(=O)N2C[C@H](NCC(N)=O)C(C)(C)C2)C1=O ZINC000996175075 656487362 /nfs/dbraw/zinc/48/73/62/656487362.db2.gz CVMHZCDOUGQMHI-ZJUUUORDSA-N 0 3 296.371 -1.223 20 0 CAADHN CC1(C)CN(C(=O)c2c[nH]c(=O)cn2)C[C@@H]1NCC(N)=O ZINC000996196853 656487537 /nfs/dbraw/zinc/48/75/37/656487537.db2.gz KPCAWLLQSJNVRO-VIFPVBQESA-N 0 3 293.327 -1.305 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1C[C@H](NCC(N)=O)C(C)(C)C1 ZINC000996192217 656487747 /nfs/dbraw/zinc/48/77/47/656487747.db2.gz PXPPAOULMMYPPJ-ZJUUUORDSA-N 0 3 296.371 -1.081 20 0 CAADHN CC1(C)CN(C(=O)C(N)=O)C[C@@H]1N[C@@H]1CCNC1=O ZINC000996230813 656487888 /nfs/dbraw/zinc/48/78/88/656487888.db2.gz QUTCVBKLZGWJML-SFYZADRCSA-N 0 3 268.317 -1.813 20 0 CAADHN CN1C[C@H](C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)NC1=O ZINC000996136853 656487980 /nfs/dbraw/zinc/48/79/80/656487980.db2.gz KKTIJBBVZLVYJL-RKDXNWHRSA-N 0 3 297.359 -1.678 20 0 CAADHN CC1(C)CN(C(=O)C(N)=O)C[C@@H]1N[C@H]1CCCNC1=O ZINC000996229531 656488051 /nfs/dbraw/zinc/48/80/51/656488051.db2.gz NZJALYGQBCAKBL-IUCAKERBSA-N 0 3 282.344 -1.423 20 0 CAADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O ZINC000996224194 656488064 /nfs/dbraw/zinc/48/80/64/656488064.db2.gz AJBBRJYOSBRDIA-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)N1C[C@@H](NCC(N)=O)C(C)(C)C1 ZINC000996192207 656488105 /nfs/dbraw/zinc/48/81/05/656488105.db2.gz PXPPAOULMMYPPJ-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H]1CCN(CCO)C1 ZINC001015947087 656488119 /nfs/dbraw/zinc/48/81/19/656488119.db2.gz IRNWBQSFKMHSFL-SECBINFHSA-N 0 3 298.343 -1.500 20 0 CAADHN CC1(C)CN(C(=O)[C@]2(C)CCC(=O)N2)C[C@H]1NCC(N)=O ZINC000996259416 656488670 /nfs/dbraw/zinc/48/86/70/656488670.db2.gz FSIVAIYRFOSEGV-OTYXRUKQSA-N 0 3 296.371 -1.033 20 0 CAADHN CC1(C)CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1NCC(N)=O ZINC000996291933 656489212 /nfs/dbraw/zinc/48/92/12/656489212.db2.gz OEOGRBBGBUGWQG-YMTOWFKASA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015950967 656489286 /nfs/dbraw/zinc/48/92/86/656489286.db2.gz IMJRISLWJRSBMK-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN CN1CC[C@H](N[C@@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O ZINC000996235370 656489302 /nfs/dbraw/zinc/48/93/02/656489302.db2.gz FPPJPUGTWPCGID-DTWKUNHWSA-N 0 3 282.344 -1.471 20 0 CAADHN CN1CC[C@@H](N[C@H]2CN(C(=O)C(N)=O)CC2(C)C)C1=O ZINC000996235369 656489337 /nfs/dbraw/zinc/48/93/37/656489337.db2.gz FPPJPUGTWPCGID-BDAKNGLRSA-N 0 3 282.344 -1.471 20 0 CAADHN CC1(C)CN(C(=O)C2(C(N)=O)CC2)C[C@H]1NCC(N)=O ZINC000996235321 656489396 /nfs/dbraw/zinc/48/93/96/656489396.db2.gz FKDGFENUJIOHAJ-MRVPVSSYSA-N 0 3 282.344 -1.436 20 0 CAADHN C[C@H](N[C@H]1CN(C(=O)C2(C(N)=O)CC2)CC1(C)C)C(N)=O ZINC000996243273 656489451 /nfs/dbraw/zinc/48/94/51/656489451.db2.gz WDWZCGGOOLAHOT-IUCAKERBSA-N 0 3 296.371 -1.048 20 0 CAADHN CC1(C)CN(C(=O)[C@@]2(C)CCNC2=O)C[C@H]1NCC(N)=O ZINC000996291929 656489608 /nfs/dbraw/zinc/48/96/08/656489608.db2.gz OEOGRBBGBUGWQG-OTYXRUKQSA-N 0 3 296.371 -1.176 20 0 CAADHN CC1(C)CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1NCC(N)=O ZINC000996536753 656491166 /nfs/dbraw/zinc/49/11/66/656491166.db2.gz RUQKVBBUMXFYTQ-DTWKUNHWSA-N 0 3 282.344 -1.423 20 0 CAADHN CC1(C)CN(C(=O)Cn2cncn2)C[C@@H]1NCC(N)=O ZINC000996583493 656491814 /nfs/dbraw/zinc/49/18/14/656491814.db2.gz BAKJKKYPTAAITK-VIFPVBQESA-N 0 3 280.332 -1.410 20 0 CAADHN NC(=O)C[NH2+]C1CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC000996704188 656493360 /nfs/dbraw/zinc/49/33/60/656493360.db2.gz YXGMJYRDWUBHDM-UHFFFAOYSA-N 0 3 279.300 -1.138 20 0 CAADHN CN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CC(N)=O ZINC001032314406 656493562 /nfs/dbraw/zinc/49/35/62/656493562.db2.gz XLGMRZAGFORUEH-DCAQKATOSA-N 0 3 266.345 -1.149 20 0 CAADHN NC(=O)C[NH2+]C1CCN(C(=O)c2cn[n-]n2)CC1 ZINC000996755294 656494494 /nfs/dbraw/zinc/49/44/94/656494494.db2.gz CINXHCFZTBMHNR-UHFFFAOYSA-N 0 3 252.278 -1.516 20 0 CAADHN Cc1nn[n-]c1C(=O)N1CCC([NH2+]CC(N)=O)CC1 ZINC000996869181 656496219 /nfs/dbraw/zinc/49/62/19/656496219.db2.gz AZJPCVMTRJCOAC-UHFFFAOYSA-N 0 3 266.305 -1.207 20 0 CAADHN Cn1ccc(CNC2CCN(C(=O)C(N)=O)CC2)n1 ZINC000996952132 656497734 /nfs/dbraw/zinc/49/77/34/656497734.db2.gz MPCIPRKVWWIVMN-UHFFFAOYSA-N 0 3 265.317 -1.014 20 0 CAADHN C[C@@H]([NH2+]C1CCN(C(=O)c2nc[n-]n2)CC1)C(N)=O ZINC000997101504 656498809 /nfs/dbraw/zinc/49/88/09/656498809.db2.gz COYBCJZENGIKOU-SSDOTTSWSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@H]([NH2+]C1CCN(C(=O)c2nc[n-]n2)CC1)C(N)=O ZINC000997101506 656498826 /nfs/dbraw/zinc/49/88/26/656498826.db2.gz COYBCJZENGIKOU-ZETCQYMHSA-N 0 3 266.305 -1.127 20 0 CAADHN O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1CN2C[C@H]1CCOC1 ZINC001032406133 656501409 /nfs/dbraw/zinc/50/14/09/656501409.db2.gz JXYUVCGYQGKSOZ-WOPDTQHZSA-N 0 3 292.343 -1.005 20 0 CAADHN O=C(Cn1ncnn1)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCOC1 ZINC001032406131 656501574 /nfs/dbraw/zinc/50/15/74/656501574.db2.gz JXYUVCGYQGKSOZ-SRVKXCTJSA-N 0 3 292.343 -1.005 20 0 CAADHN O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000997119552 656501999 /nfs/dbraw/zinc/50/19/99/656501999.db2.gz VKGIWLUMIYZQLT-NSHDSACASA-N 0 3 294.355 -1.312 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CN(C(=O)CC(N)=O)C1 ZINC000997245297 656503009 /nfs/dbraw/zinc/50/30/09/656503009.db2.gz NRHBPALOWYQIOR-UHFFFAOYSA-N 0 3 279.300 -1.537 20 0 CAADHN CC(C)(C(=O)NC1CN(C(=O)C(N)=O)C1)N1CCCC1 ZINC000997386357 656508275 /nfs/dbraw/zinc/50/82/75/656508275.db2.gz FSHYEJRHQDMWTC-UHFFFAOYSA-N 0 3 282.344 -1.327 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CCNC2=O)C1)N(C)C ZINC000997420800 656510114 /nfs/dbraw/zinc/51/01/14/656510114.db2.gz MYWOZBIVPZGNCO-GHMZBOCLSA-N 0 3 296.371 -1.210 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1)N(C)C ZINC000997420804 656510173 /nfs/dbraw/zinc/51/01/73/656510173.db2.gz MYWOZBIVPZGNCO-QWRGUYRKSA-N 0 3 296.371 -1.210 20 0 CAADHN CN1CCN(S(=O)(=O)N2CCNCC2)CC1=O ZINC000084204959 656514845 /nfs/dbraw/zinc/51/48/45/656514845.db2.gz GKWBVSCYXGIEBQ-UHFFFAOYSA-N 0 3 262.335 -2.090 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1CCN(C2CC2)C1 ZINC000067865171 656516983 /nfs/dbraw/zinc/51/69/83/656516983.db2.gz MAKQPLHETRELIE-VIFPVBQESA-N 0 3 278.312 -1.111 20 0 CAADHN O=C(Cc1cnc[nH]1)N1CC(NC(=O)c2nc[nH]n2)C1 ZINC000997820063 656518406 /nfs/dbraw/zinc/51/84/06/656518406.db2.gz WSWBPLGNYZWXLW-UHFFFAOYSA-N 0 3 275.272 -1.289 20 0 CAADHN Cc1nccn1CC(=O)N1CC(NC(=O)c2ncn[nH]2)C1 ZINC000997817304 656519021 /nfs/dbraw/zinc/51/90/21/656519021.db2.gz FMQVGNNUACYEBZ-UHFFFAOYSA-N 0 3 289.299 -1.050 20 0 CAADHN Cc1nccn1CC(=O)N1CC(NC(=O)c2nc[nH]n2)C1 ZINC000997817304 656519024 /nfs/dbraw/zinc/51/90/24/656519024.db2.gz FMQVGNNUACYEBZ-UHFFFAOYSA-N 0 3 289.299 -1.050 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)c2nnn(C)n2)C1)N(C)C ZINC000997867547 656521224 /nfs/dbraw/zinc/52/12/24/656521224.db2.gz NIAAJHXQOSDFFU-VIFPVBQESA-N 0 3 295.347 -1.509 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)c2nnn(C)n2)C1)N(C)C ZINC000997867539 656521344 /nfs/dbraw/zinc/52/13/44/656521344.db2.gz NIAAJHXQOSDFFU-SECBINFHSA-N 0 3 295.347 -1.509 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](NCCO)C1 ZINC000998283713 656530345 /nfs/dbraw/zinc/53/03/45/656530345.db2.gz DVGOOUHUXPOWGR-RQJHMYQMSA-N 0 3 283.250 -1.167 20 0 CAADHN NC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](NCCO)C1 ZINC000998283710 656530649 /nfs/dbraw/zinc/53/06/49/656530649.db2.gz DVGOOUHUXPOWGR-RNFRBKRXSA-N 0 3 283.250 -1.167 20 0 CAADHN CCC(=O)N(C)C1CC(NCC(=O)N2CCNC(=O)C2)C1 ZINC000998321043 656533622 /nfs/dbraw/zinc/53/36/22/656533622.db2.gz KHBIQIQBMLSALS-UHFFFAOYSA-N 0 3 296.371 -1.066 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC000998463750 656534448 /nfs/dbraw/zinc/53/44/48/656534448.db2.gz XVIGFDRLGNKNMQ-NSHDSACASA-N 0 3 278.312 -1.001 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC000998463749 656534511 /nfs/dbraw/zinc/53/45/11/656534511.db2.gz XVIGFDRLGNKNMQ-LLVKDONJSA-N 0 3 278.312 -1.001 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1)C(N)=O ZINC000998490691 656534576 /nfs/dbraw/zinc/53/45/76/656534576.db2.gz RTFZIVOJYZSBHH-DTWKUNHWSA-N 0 3 281.320 -1.873 20 0 CAADHN O=C(Cn1cnnn1)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000998489899 656535295 /nfs/dbraw/zinc/53/52/95/656535295.db2.gz OFQPZWVDQWYDQN-NXEZZACHSA-N 0 3 293.331 -1.858 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC000998489481 656535407 /nfs/dbraw/zinc/53/54/07/656535407.db2.gz MONYKLZBQBRYOT-QMMMGPOBSA-N 0 3 267.293 -2.261 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC000998536033 656536444 /nfs/dbraw/zinc/53/64/44/656536444.db2.gz BVXNLUFDHBWEAX-JTQLQIEISA-N 0 3 265.317 -1.051 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC000998610386 656536580 /nfs/dbraw/zinc/53/65/80/656536580.db2.gz MYUPFWPPHPDKKA-UWVGGRQHSA-N 0 3 271.317 -1.532 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC000998610387 656537074 /nfs/dbraw/zinc/53/70/74/656537074.db2.gz MYUPFWPPHPDKKA-VHSXEESVSA-N 0 3 271.317 -1.532 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)[C@@H]2CNC(=O)N2)C1)N(C)C ZINC000998674009 656539102 /nfs/dbraw/zinc/53/91/02/656539102.db2.gz LPHAJFVPIMYGNH-UWVGGRQHSA-N 0 3 297.359 -1.665 20 0 CAADHN CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1)N(C)C ZINC000998674014 656539647 /nfs/dbraw/zinc/53/96/47/656539647.db2.gz LPHAJFVPIMYGNH-ZJUUUORDSA-N 0 3 297.359 -1.665 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC000998675397 656539732 /nfs/dbraw/zinc/53/97/32/656539732.db2.gz VGMQIOICPHZIIV-ZJUUUORDSA-N 0 3 295.343 -1.911 20 0 CAADHN CC[C@H](C(=O)N1CC(NC(=O)C(N)=O)C1)N(C)C ZINC000998705442 656546492 /nfs/dbraw/zinc/54/64/92/656546492.db2.gz VPGPEFKDYCRXCW-MRVPVSSYSA-N 0 3 256.306 -1.861 20 0 CAADHN C[C@H]1CCCN1CC(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998714318 656548196 /nfs/dbraw/zinc/54/81/96/656548196.db2.gz HDTVYVCCGHXSAS-QMMMGPOBSA-N 0 3 268.317 -1.717 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998714313 656548974 /nfs/dbraw/zinc/54/89/74/656548974.db2.gz HDTVYVCCGHXSAS-MRVPVSSYSA-N 0 3 268.317 -1.717 20 0 CAADHN CCN1CCCC[C@H]1C(=O)N1CC(NC(=O)C(N)=O)C1 ZINC000998721574 656559644 /nfs/dbraw/zinc/55/96/44/656559644.db2.gz CRCYIZRDCSEWLJ-JTQLQIEISA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCCN(C(=O)CC(N)=O)C2)C1=O ZINC000998781218 656562689 /nfs/dbraw/zinc/56/26/89/656562689.db2.gz PUJCZHDATTYTHG-ZJUUUORDSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)CC(N)=O)C1)C(N)=O ZINC000998781070 656562846 /nfs/dbraw/zinc/56/28/46/656562846.db2.gz OSFBBMUJFGAIFV-JGVFFNPUSA-N 0 3 256.306 -1.684 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC000998821919 656563018 /nfs/dbraw/zinc/56/30/18/656563018.db2.gz FGMJXTBOCILVDF-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN Cc1c(C(=O)N2CCC[C@H](NCC(N)=O)C2)nnn1C ZINC000998809685 656563442 /nfs/dbraw/zinc/56/34/42/656563442.db2.gz YQULSYKJSLBNTP-VIFPVBQESA-N 0 3 280.332 -1.197 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CCn2ccnn2)C1 ZINC000999008984 656564276 /nfs/dbraw/zinc/56/42/76/656564276.db2.gz ICUPUTLIYHJPSH-JTQLQIEISA-N 0 3 280.332 -1.266 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC000998977710 656564326 /nfs/dbraw/zinc/56/43/26/656564326.db2.gz XMNVXHVWXRTYHF-MRVPVSSYSA-N 0 3 282.304 -1.950 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)CN2CCOCC2)C1)C(N)=O ZINC000998955595 656564443 /nfs/dbraw/zinc/56/44/43/656564443.db2.gz IVGBQNGCOAFNJK-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CCn2ccnn2)C1 ZINC000999008987 656564682 /nfs/dbraw/zinc/56/46/82/656564682.db2.gz ICUPUTLIYHJPSH-SNVBAGLBSA-N 0 3 280.332 -1.266 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CN2CN=NC2=O)C1 ZINC000998977714 656564749 /nfs/dbraw/zinc/56/47/49/656564749.db2.gz XMNVXHVWXRTYHF-QMMMGPOBSA-N 0 3 282.304 -1.950 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 ZINC000998935685 656564858 /nfs/dbraw/zinc/56/48/58/656564858.db2.gz JHAFPJYQEHBLFC-LLVKDONJSA-N 0 3 284.360 -1.616 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)CN2CN=NC2=O)C1)C(N)=O ZINC000998976848 656565207 /nfs/dbraw/zinc/56/52/07/656565207.db2.gz SGVDOSDNLQHUJX-DTWKUNHWSA-N 0 3 296.331 -1.562 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)CN2CCOCC2)C1)C(N)=O ZINC000998955593 656565236 /nfs/dbraw/zinc/56/52/36/656565236.db2.gz IVGBQNGCOAFNJK-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN CC(=O)N1CC(C(=O)N2CCC[C@H](N[C@@H](C)C(N)=O)C2)C1 ZINC000999019885 656565408 /nfs/dbraw/zinc/56/54/08/656565408.db2.gz GPNZXIMVYAVCOO-CABZTGNLSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)CN2CCOCC2)C1)C(N)=O ZINC000998955589 656565445 /nfs/dbraw/zinc/56/54/45/656565445.db2.gz IVGBQNGCOAFNJK-NEPJUHHUSA-N 0 3 298.387 -1.227 20 0 CAADHN CCn1nncc1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999107493 656566156 /nfs/dbraw/zinc/56/61/56/656566156.db2.gz OVYATCCDQNEJAC-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN O=C(Cn1ncnn1)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000999160445 656566184 /nfs/dbraw/zinc/56/61/84/656566184.db2.gz GGAONAYPVVSXOF-NXEZZACHSA-N 0 3 293.331 -1.858 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC000999075558 656566215 /nfs/dbraw/zinc/56/62/15/656566215.db2.gz WOVHHCJZLSRIDF-VHSXEESVSA-N 0 3 292.343 -1.102 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)Cn2ncnn2)C1)C(N)=O ZINC000999159563 656566299 /nfs/dbraw/zinc/56/62/99/656566299.db2.gz BBMLMXSEYLLTDJ-IUCAKERBSA-N 0 3 281.320 -1.873 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)c2cnnn2C)C1)C(N)=O ZINC000999057126 656566393 /nfs/dbraw/zinc/56/63/93/656566393.db2.gz JIJJAFOSWWUDBK-IUCAKERBSA-N 0 3 280.332 -1.117 20 0 CAADHN CCn1ncc(C(=O)N2CCC[C@H](NCC(N)=O)C2)n1 ZINC000999103489 656566466 /nfs/dbraw/zinc/56/64/66/656566466.db2.gz RZRVLIBKMVNAAM-VIFPVBQESA-N 0 3 280.332 -1.023 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)n1 ZINC000999086105 656566487 /nfs/dbraw/zinc/56/64/87/656566487.db2.gz ZTBUVOMXNITQSV-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN Cc1nnc(CC(=O)N2CCC[C@H](NCC(N)=O)C2)o1 ZINC000999092544 656567075 /nfs/dbraw/zinc/56/70/75/656567075.db2.gz ADMGYCHEDKSPRT-VIFPVBQESA-N 0 3 281.316 -1.014 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)Cn2ncnn2)C1)C(N)=O ZINC000999159565 656567097 /nfs/dbraw/zinc/56/70/97/656567097.db2.gz BBMLMXSEYLLTDJ-RKDXNWHRSA-N 0 3 281.320 -1.873 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC000999075554 656567127 /nfs/dbraw/zinc/56/71/27/656567127.db2.gz WOVHHCJZLSRIDF-UWVGGRQHSA-N 0 3 292.343 -1.102 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)nn1 ZINC000999081960 656567238 /nfs/dbraw/zinc/56/72/38/656567238.db2.gz GYTVJTYAMVNWFB-VHSXEESVSA-N 0 3 292.343 -1.102 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)nn1 ZINC000999083836 656567270 /nfs/dbraw/zinc/56/72/70/656567270.db2.gz ONIPWUMZHHGJOJ-MRVPVSSYSA-N 0 3 266.305 -1.505 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)nn1 ZINC000999081956 656567385 /nfs/dbraw/zinc/56/73/85/656567385.db2.gz GYTVJTYAMVNWFB-NXEZZACHSA-N 0 3 292.343 -1.102 20 0 CAADHN Cc1nnc(CC(=O)N2CCC[C@H](NCC(N)=O)C2)[nH]1 ZINC000999139826 656567419 /nfs/dbraw/zinc/56/74/19/656567419.db2.gz VQLCEVVHUFSMHC-VIFPVBQESA-N 0 3 280.332 -1.278 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)n1 ZINC000999086100 656567682 /nfs/dbraw/zinc/56/76/82/656567682.db2.gz ZTBUVOMXNITQSV-NXEZZACHSA-N 0 3 292.343 -1.102 20 0 CAADHN Cn1cnc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)n1 ZINC000999082702 656567716 /nfs/dbraw/zinc/56/77/16/656567716.db2.gz LGZOWRQMVKWARF-MRVPVSSYSA-N 0 3 266.305 -1.505 20 0 CAADHN NC(=O)c1ncn(CC(=O)N2CCC[C@H](NCCF)C2)n1 ZINC000999199441 656568673 /nfs/dbraw/zinc/56/86/73/656568673.db2.gz HCJUHAOPSQERFN-VIFPVBQESA-N 0 3 298.322 -1.073 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C2CS(=O)(=O)C2)C1 ZINC000999242559 656571733 /nfs/dbraw/zinc/57/17/33/656571733.db2.gz RIWQANICCJYTDB-SECBINFHSA-N 0 3 289.357 -1.903 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)Cn2nccn2)C1)C(N)=O ZINC000999261670 656572716 /nfs/dbraw/zinc/57/27/16/656572716.db2.gz IWVDVNPMCOSRTF-VHSXEESVSA-N 0 3 280.332 -1.268 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC000999256154 656573034 /nfs/dbraw/zinc/57/30/34/656573034.db2.gz IUBUJSAGHKGEPK-VIFPVBQESA-N 0 3 266.305 -1.656 20 0 CAADHN CN1C[C@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1=O ZINC000999299908 656573479 /nfs/dbraw/zinc/57/34/79/656573479.db2.gz WAAKRNTXBFSYEB-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CCN1C[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1=O ZINC000999300825 656573558 /nfs/dbraw/zinc/57/35/58/656573558.db2.gz ANQAOFSGPIYZKY-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CCn1nncc1CNC1CC(N(C)C(=O)C(N)=O)C1 ZINC000999326055 656573994 /nfs/dbraw/zinc/57/39/94/656573994.db2.gz ISWAWHNBJWJWQD-UHFFFAOYSA-N 0 3 280.332 -1.138 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)c2cc3n(n2)CCO3)C1 ZINC000999374981 656574406 /nfs/dbraw/zinc/57/44/06/656574406.db2.gz JPMUUHHOTDDJRH-SECBINFHSA-N 0 3 293.327 -1.045 20 0 CAADHN CN(C(=O)C(N)=O)C1CC(NCc2cnnn2C)C1 ZINC000999326686 656574613 /nfs/dbraw/zinc/57/46/13/656574613.db2.gz MWSCWRRYERKJFU-UHFFFAOYSA-N 0 3 266.305 -1.621 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC000999343840 656575367 /nfs/dbraw/zinc/57/53/67/656575367.db2.gz RYXUMZIBKIMDKM-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN CC[C@]1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCNC1=O ZINC000999400143 656576515 /nfs/dbraw/zinc/57/65/15/656576515.db2.gz JHWICGZQSOXINP-YGRLFVJLSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999399535 656576628 /nfs/dbraw/zinc/57/66/28/656576628.db2.gz VWKFEKJVHHBEGX-NHCYSSNCSA-N 0 3 285.344 -1.144 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000999425026 656577122 /nfs/dbraw/zinc/57/71/22/656577122.db2.gz SMEIIEBWIWSNBA-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCNC2=O)C1 ZINC000999425021 656577220 /nfs/dbraw/zinc/57/72/20/656577220.db2.gz SMEIIEBWIWSNBA-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN C[C@]1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCNC(=O)C1 ZINC000999509149 656577587 /nfs/dbraw/zinc/57/75/87/656577587.db2.gz XMKKREYFAHNFDY-YGRLFVJLSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC000999395386 656578055 /nfs/dbraw/zinc/57/80/55/656578055.db2.gz FNKCVMWNNCZQKS-YUMQZZPRSA-N 0 3 297.315 -2.350 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)O1 ZINC000999492325 656578163 /nfs/dbraw/zinc/57/81/63/656578163.db2.gz AEHLSNWLTOEVSR-GRYCIOLGSA-N 0 3 298.387 -1.229 20 0 CAADHN CC[C@@]1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CCNC1=O ZINC000999400136 656578619 /nfs/dbraw/zinc/57/86/19/656578619.db2.gz JHWICGZQSOXINP-IINYFYTJSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000999574386 656579685 /nfs/dbraw/zinc/57/96/85/656579685.db2.gz UYGGTRRMJMOMAT-VHSXEESVSA-N 0 3 282.344 -1.422 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999556063 656579779 /nfs/dbraw/zinc/57/97/79/656579779.db2.gz JTDPLYRNNMEIPL-RYUDHWBXSA-N 0 3 298.387 -1.227 20 0 CAADHN Cn1cnn(CC(=O)N2CCC[C@H](NCC(N)=O)C2)c1=O ZINC000999543008 656580519 /nfs/dbraw/zinc/58/05/19/656580519.db2.gz RZZXMYVBPUQVAJ-VIFPVBQESA-N 0 3 296.331 -2.352 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CN2CCCNC2=O)C1 ZINC000999604677 656580619 /nfs/dbraw/zinc/58/06/19/656580619.db2.gz XNBCMYKDWZQLTR-JTQLQIEISA-N 0 3 297.359 -1.532 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999556065 656580659 /nfs/dbraw/zinc/58/06/59/656580659.db2.gz JTDPLYRNNMEIPL-VXGBXAGGSA-N 0 3 298.387 -1.227 20 0 CAADHN CN(C(=O)c1nc[n-]n1)C1CC([NH2+][C@@H]2CCNC2=O)C1 ZINC000999573766 656580949 /nfs/dbraw/zinc/58/09/49/656580949.db2.gz QRZGRVUJRKDWPG-AMDVSUOASA-N 0 3 278.316 -1.114 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC(=O)NC2)C1 ZINC000999574383 656581102 /nfs/dbraw/zinc/58/11/02/656581102.db2.gz UYGGTRRMJMOMAT-UWVGGRQHSA-N 0 3 282.344 -1.422 20 0 CAADHN CCn1cc(CC(=O)N2CCC[C@H](NCC(N)=O)C2)nn1 ZINC000999769292 656582919 /nfs/dbraw/zinc/58/29/19/656582919.db2.gz COGLLUHEGWHWNJ-JTQLQIEISA-N 0 3 294.359 -1.094 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCNC(=O)CC2)C1 ZINC000999816369 656583151 /nfs/dbraw/zinc/58/31/51/656583151.db2.gz YXNYUKBLHOFLRA-GHMZBOCLSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCNC(=O)CC2)C1 ZINC000999816377 656583295 /nfs/dbraw/zinc/58/32/95/656583295.db2.gz YXNYUKBLHOFLRA-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@]1(C(=O)N2CCC[C@@H](NCC(N)=O)C2)CNC(=O)C1 ZINC000999783408 656584251 /nfs/dbraw/zinc/58/42/51/656584251.db2.gz JGLJLZJDVFLBGD-RNCFNFMXSA-N 0 3 282.344 -1.422 20 0 CAADHN CN1C[C@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)NC1=O ZINC000999892269 656585661 /nfs/dbraw/zinc/58/56/61/656585661.db2.gz ZGTGYDWLSAZNDV-DTWKUNHWSA-N 0 3 283.332 -1.924 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)NC1=O ZINC000999892270 656585727 /nfs/dbraw/zinc/58/57/27/656585727.db2.gz ZGTGYDWLSAZNDV-IUCAKERBSA-N 0 3 283.332 -1.924 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2CN(C(=O)C(N)=O)C2)C1 ZINC000999872065 656586009 /nfs/dbraw/zinc/58/60/09/656586009.db2.gz QEEIZLFXJFFXOC-MRVPVSSYSA-N 0 3 268.317 -1.860 20 0 CAADHN Cc1n[nH]nc1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999867127 656586113 /nfs/dbraw/zinc/58/61/13/656586113.db2.gz VAJWQWUUHOWKSZ-QMMMGPOBSA-N 0 3 266.305 -1.207 20 0 CAADHN O=C(CN1CCNC(=O)C1)N1CCC[C@@H](NCCF)C1 ZINC000999881866 656586435 /nfs/dbraw/zinc/58/64/35/656586435.db2.gz MAEOOMUKSJMISA-LLVKDONJSA-N 0 3 286.351 -1.032 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)NC1=O ZINC000999892268 656586500 /nfs/dbraw/zinc/58/65/00/656586500.db2.gz ZGTGYDWLSAZNDV-BDAKNGLRSA-N 0 3 283.332 -1.924 20 0 CAADHN C[C@@H]1CCN(CC(=O)NC2CN(C(=O)CC(N)=O)C2)C1 ZINC000999865088 656586571 /nfs/dbraw/zinc/58/65/71/656586571.db2.gz SRXLONUTWNKFNY-SECBINFHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)c2nnn(C)n2)C1)C(N)=O ZINC000999919363 656587206 /nfs/dbraw/zinc/58/72/06/656587206.db2.gz CXUIJXMULCMZEN-SFYZADRCSA-N 0 3 281.320 -1.722 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC000999922705 656587620 /nfs/dbraw/zinc/58/76/20/656587620.db2.gz PTQPUGSVWYECQC-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)n1 ZINC000999919392 656588416 /nfs/dbraw/zinc/58/84/16/656588416.db2.gz DFCBGHIGCCEJQO-SSDOTTSWSA-N 0 3 267.293 -2.110 20 0 CAADHN CCN1CC[C@H](N[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000053157 656591465 /nfs/dbraw/zinc/59/14/65/656591465.db2.gz PPUSJRDQJQHMAU-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001000047881 656592099 /nfs/dbraw/zinc/59/20/99/656592099.db2.gz ISVRCEPTTATWCA-HTQZYQBOSA-N 0 3 269.305 -2.266 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001000051690 656592313 /nfs/dbraw/zinc/59/23/13/656592313.db2.gz IABXHKZEEYWQGK-SFYZADRCSA-N 0 3 282.300 -2.143 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000999949516 656592388 /nfs/dbraw/zinc/59/23/88/656592388.db2.gz MACBZYVVNLJDHX-UXCLJVHYSA-N 0 3 267.329 -1.055 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001000051692 656592412 /nfs/dbraw/zinc/59/24/12/656592412.db2.gz IABXHKZEEYWQGK-YUMQZZPRSA-N 0 3 282.300 -2.143 20 0 CAADHN CN1CC[C@H](N[C@H]2CCCN(C(=O)C(N)=O)C2)C1=O ZINC001000060101 656592799 /nfs/dbraw/zinc/59/27/99/656592799.db2.gz FFKLTEIPPNSPQF-IUCAKERBSA-N 0 3 268.317 -1.717 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1)C(N)=O ZINC001000052716 656593268 /nfs/dbraw/zinc/59/32/68/656593268.db2.gz MPBWCFDTIKBDKL-IUCAKERBSA-N 0 3 282.344 -1.294 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1)C(N)=O ZINC001000024940 656594260 /nfs/dbraw/zinc/59/42/60/656594260.db2.gz GFMRDSUCIODOIW-DTWKUNHWSA-N 0 3 293.327 -1.162 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1)C(N)=O ZINC001000024939 656594371 /nfs/dbraw/zinc/59/43/71/656594371.db2.gz GFMRDSUCIODOIW-BDAKNGLRSA-N 0 3 293.327 -1.162 20 0 CAADHN Cn1cc(CN[C@@H]2CCCN(C(=O)C(N)=O)C2)cn1 ZINC001000057349 656594504 /nfs/dbraw/zinc/59/45/04/656594504.db2.gz NSHPKBMRNKJJMK-SNVBAGLBSA-N 0 3 265.317 -1.014 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001000214040 656603081 /nfs/dbraw/zinc/60/30/81/656603081.db2.gz HWIFIGAQTUBPIZ-MRVPVSSYSA-N 0 3 293.327 -1.207 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001000206868 656603406 /nfs/dbraw/zinc/60/34/06/656603406.db2.gz TZYJNIBMAFGIHG-AXFHLTTASA-N 0 3 296.371 -1.223 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001000214041 656603887 /nfs/dbraw/zinc/60/38/87/656603887.db2.gz HWIFIGAQTUBPIZ-QMMMGPOBSA-N 0 3 293.327 -1.207 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001000206870 656604189 /nfs/dbraw/zinc/60/41/89/656604189.db2.gz TZYJNIBMAFGIHG-MXWKQRLJSA-N 0 3 296.371 -1.223 20 0 CAADHN Cn1ncc(CCC(=O)N2CCC[C@H](NCC(N)=O)C2)n1 ZINC001000213533 656604321 /nfs/dbraw/zinc/60/43/21/656604321.db2.gz FKEVUURGADOAQK-NSHDSACASA-N 0 3 294.359 -1.186 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001016198916 656605027 /nfs/dbraw/zinc/60/50/27/656605027.db2.gz CRRAIYWCSCGIQS-VHSXEESVSA-N 0 3 298.343 -1.548 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001000329579 656605366 /nfs/dbraw/zinc/60/53/66/656605366.db2.gz OYDRNGSSBRADOA-SFYZADRCSA-N 0 3 297.315 -2.350 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CCCN(C(=O)c2nc[n-]n2)C1 ZINC001000490351 656606816 /nfs/dbraw/zinc/60/68/16/656606816.db2.gz NGXQBDAKMDIJGU-SSDOTTSWSA-N 0 3 252.278 -1.516 20 0 CAADHN C[C@H]([NH2+][C@@H]1CCCN(C(=O)c2nc[n-]n2)C1)C(N)=O ZINC001000490913 656606609 /nfs/dbraw/zinc/60/66/09/656606609.db2.gz QDOGYKDSCIQLQZ-JGVFFNPUSA-N 0 3 266.305 -1.127 20 0 CAADHN O=C(c1nc[n-]n1)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001000492393 656606644 /nfs/dbraw/zinc/60/66/44/656606644.db2.gz YTBXAVNKBRQQNC-DTWKUNHWSA-N 0 3 278.316 -1.113 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)n1 ZINC001000465194 656606949 /nfs/dbraw/zinc/60/69/49/656606949.db2.gz OVZUJLPABIBHBY-VHSXEESVSA-N 0 3 292.343 -1.102 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CN2CC(=O)NC2=O)C1 ZINC001000475586 656606955 /nfs/dbraw/zinc/60/69/55/656606955.db2.gz LVLHCSVBYMSWRG-MRVPVSSYSA-N 0 3 297.315 -2.396 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001000450364 656607496 /nfs/dbraw/zinc/60/74/96/656607496.db2.gz GSRCCPODSTWSFY-VIFPVBQESA-N 0 3 296.327 -1.895 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)n1 ZINC001000465198 656607800 /nfs/dbraw/zinc/60/78/00/656607800.db2.gz OVZUJLPABIBHBY-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001000555295 656608745 /nfs/dbraw/zinc/60/87/45/656608745.db2.gz BSALLUSHMBDFTD-SECBINFHSA-N 0 3 293.327 -1.207 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001000540091 656609021 /nfs/dbraw/zinc/60/90/21/656609021.db2.gz WTDNGSLTLOCKJZ-SECBINFHSA-N 0 3 281.320 -1.871 20 0 CAADHN O=C(NCC1=CCN(CCO)CC1)[C@@H]1COC(=O)N1 ZINC001000629946 656612290 /nfs/dbraw/zinc/61/22/90/656612290.db2.gz ZSTJZVBHVDZNGG-JTQLQIEISA-N 0 3 269.301 -1.165 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)C1 ZINC001000798000 656612492 /nfs/dbraw/zinc/61/24/92/656612492.db2.gz UABSDZOAPLMDNF-VXGBXAGGSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@@H](N[C@H]1CCCN(C(=O)Cn2cncn2)C1)C(N)=O ZINC001000863744 656613780 /nfs/dbraw/zinc/61/37/80/656613780.db2.gz TYFXURPHTJWHND-ZJUUUORDSA-N 0 3 280.332 -1.268 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)Cn2ccccc2=O)C1 ZINC001000882617 656614184 /nfs/dbraw/zinc/61/41/84/656614184.db2.gz QBKCSPGNDPASNB-NSHDSACASA-N 0 3 292.339 -1.086 20 0 CAADHN O=C(Cn1cncn1)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001000859347 656614236 /nfs/dbraw/zinc/61/42/36/656614236.db2.gz AALPQFZLIUQACC-GHMZBOCLSA-N 0 3 292.343 -1.253 20 0 CAADHN O=C(Cn1cncn1)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001000859354 656614323 /nfs/dbraw/zinc/61/43/23/656614323.db2.gz AALPQFZLIUQACC-QWRGUYRKSA-N 0 3 292.343 -1.253 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CCC[C@H](NCC(N)=O)C2)C1 ZINC001000973834 656615091 /nfs/dbraw/zinc/61/50/91/656615091.db2.gz XDJFYLFBRTYWAQ-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC[C@@H](NCC(N)=O)C2)CCC1=O ZINC001001015195 656615312 /nfs/dbraw/zinc/61/53/12/656615312.db2.gz OETBHIQQJRBMTG-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN O=C(NCC1=CCN(CCO)CC1)[C@@H]1CCNC1=O ZINC001001042613 656615684 /nfs/dbraw/zinc/61/56/84/656615684.db2.gz CQEPHEPTRUVRST-LLVKDONJSA-N 0 3 267.329 -1.137 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001001057016 656616696 /nfs/dbraw/zinc/61/66/96/656616696.db2.gz SSTPKCBSOJDXAM-JTQLQIEISA-N 0 3 265.317 -1.051 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001001071914 656616920 /nfs/dbraw/zinc/61/69/20/656616920.db2.gz JQQZRWDRVICMNL-UWVGGRQHSA-N 0 3 297.359 -1.405 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001001057018 656617154 /nfs/dbraw/zinc/61/71/54/656617154.db2.gz SSTPKCBSOJDXAM-SNVBAGLBSA-N 0 3 265.317 -1.051 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001001071924 656617555 /nfs/dbraw/zinc/61/75/55/656617555.db2.gz JQQZRWDRVICMNL-ZJUUUORDSA-N 0 3 297.359 -1.405 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCC1=CCN(CCO)CC1 ZINC001001149807 656618698 /nfs/dbraw/zinc/61/86/98/656618698.db2.gz BCJHQCNIAGLZGZ-MNOVXSKESA-N 0 3 267.329 -1.152 20 0 CAADHN O=C(NCC1=CCN(CCO)CC1)[C@@H]1CC(=O)NC(=O)N1 ZINC001001217440 656619281 /nfs/dbraw/zinc/61/92/81/656619281.db2.gz ZAZOPGDUICMTDF-JTQLQIEISA-N 0 3 296.327 -1.675 20 0 CAADHN NC(=O)CN1CCC(CNC(=O)c2cn[nH]n2)CC1 ZINC001001575885 656623720 /nfs/dbraw/zinc/62/37/20/656623720.db2.gz CMGZCLIUOSPIGB-UHFFFAOYSA-N 0 3 266.305 -1.268 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001032824635 656628026 /nfs/dbraw/zinc/62/80/26/656628026.db2.gz GNHNPVYGKQLJMS-KXUCPTDWSA-N 0 3 255.318 -1.164 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2C[C@H]3C[C@@]3(O)C2)CC1=O ZINC000921895379 656629656 /nfs/dbraw/zinc/62/96/56/656629656.db2.gz DYJHQOFGLMXHPY-JTNHKYCSSA-N 0 3 281.356 -1.010 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@H]1COCCO1 ZINC001002375709 656629682 /nfs/dbraw/zinc/62/96/82/656629682.db2.gz LHVQCVIIJKIYNO-LLVKDONJSA-N 0 3 258.318 -1.025 20 0 CAADHN CN1CCO[C@H](C(=O)NC2CCN(CCO)CC2)C1 ZINC001002535146 656630803 /nfs/dbraw/zinc/63/08/03/656630803.db2.gz QDIKESSPWBDOGS-LBPRGKRZSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032827100 656631767 /nfs/dbraw/zinc/63/17/67/656631767.db2.gz QBHRKNIJZNGPOD-CIUDSAMLSA-N 0 3 284.316 -1.844 20 0 CAADHN CN1CCOC[C@H]1C(=O)NC1CCN(CCO)CC1 ZINC001002639058 656632167 /nfs/dbraw/zinc/63/21/67/656632167.db2.gz LNRFIVPNCNXPGG-LBPRGKRZSA-N 0 3 271.361 -1.110 20 0 CAADHN COC[C@H](C)N1CC[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032827034 656632190 /nfs/dbraw/zinc/63/21/90/656632190.db2.gz UQGWARRSLYZFNW-GUBZILKMSA-N 0 3 298.343 -1.190 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@@H]1COC(=O)N1 ZINC001002722244 656633546 /nfs/dbraw/zinc/63/35/46/656633546.db2.gz LGZAUIOZOGZZAM-VIFPVBQESA-N 0 3 257.290 -1.332 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831569 656635881 /nfs/dbraw/zinc/63/58/81/656635881.db2.gz AELLIMSTMALITQ-VGMNWLOBSA-N 0 3 284.316 -1.844 20 0 CAADHN NC(=O)Cn1cc(C(=O)N[C@@H]2CCN(CCCF)C2)nn1 ZINC001016341916 656636292 /nfs/dbraw/zinc/63/62/92/656636292.db2.gz VUFKOPHHDLDOAL-SECBINFHSA-N 0 3 298.322 -1.073 20 0 CAADHN CO[C@H](C)CN1CC[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032831579 656636536 /nfs/dbraw/zinc/63/65/36/656636536.db2.gz HPSNUCQNPPDERD-UTLUCORTSA-N 0 3 298.343 -1.190 20 0 CAADHN CN(CCNC(=O)[C@H]1CCCN1C=O)CCOCCO ZINC000922113361 656639204 /nfs/dbraw/zinc/63/92/04/656639204.db2.gz LMSAPNWSRFHIOI-GFCCVEGCSA-N 0 3 287.360 -1.336 20 0 CAADHN CN(CCNC(=O)c1cn(C)c(=O)[nH]1)CCOCCO ZINC000922117108 656639789 /nfs/dbraw/zinc/63/97/89/656639789.db2.gz XZZDPKGUPNPHOK-UHFFFAOYSA-N 0 3 286.332 -1.204 20 0 CAADHN CCn1ncc(C(=O)NCCN(C)CCOCCO)n1 ZINC000922115172 656639833 /nfs/dbraw/zinc/63/98/33/656639833.db2.gz GWWQRFIHTMGHBM-UHFFFAOYSA-N 0 3 285.348 -1.032 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCN(C)C1=O)CCOCCO ZINC000922116532 656640085 /nfs/dbraw/zinc/64/00/85/656640085.db2.gz HSAMKQFLBANFRI-NSHDSACASA-N 0 3 287.360 -1.478 20 0 CAADHN CN(CCNC(=O)[C@]1(O)CCOC1)CCOCCO ZINC000922114202 656640160 /nfs/dbraw/zinc/64/01/60/656640160.db2.gz RMTUWIIXNMLYJW-LBPRGKRZSA-N 0 3 276.333 -1.805 20 0 CAADHN CN(CCNC(=O)[C@H]1CC(=O)N(C)C1)CCOCCO ZINC000922121765 656640489 /nfs/dbraw/zinc/64/04/89/656640489.db2.gz AXXUEVOHIBIDHR-NSHDSACASA-N 0 3 287.360 -1.478 20 0 CAADHN C/C=C\[C@H](O)C(=O)NCCN(C)CCOCCO ZINC000922111865 656640737 /nfs/dbraw/zinc/64/07/37/656640737.db2.gz NPEZZPPOXMEWGY-BYCRGOAPSA-N 0 3 260.334 -1.020 20 0 CAADHN CN(CCNC(=O)c1c[nH]c(=O)n1C)CCOCCO ZINC000922116245 656640991 /nfs/dbraw/zinc/64/09/91/656640991.db2.gz ZDCDKONLXQTMER-UHFFFAOYSA-N 0 3 286.332 -1.204 20 0 CAADHN CN(CCNC(=O)[C@@H]1CCCN1C=O)CCOCCO ZINC000922113364 656641895 /nfs/dbraw/zinc/64/18/95/656641895.db2.gz LMSAPNWSRFHIOI-LBPRGKRZSA-N 0 3 287.360 -1.336 20 0 CAADHN Cn1cnc(C(=O)NC2CCN(CCO)CC2)cc1=O ZINC001003056241 656642870 /nfs/dbraw/zinc/64/28/70/656642870.db2.gz PHROUKYBBUEEPJ-UHFFFAOYSA-N 0 3 280.328 -1.033 20 0 CAADHN CN(CCNC(=O)Cn1cccn1)CCOCCO ZINC000922125759 656643094 /nfs/dbraw/zinc/64/30/94/656643094.db2.gz MAWKEYPKOREMGA-UHFFFAOYSA-N 0 3 270.333 -1.060 20 0 CAADHN CN(CCNC(=O)[C@]1(C)CCC(=O)N1)CCOCCO ZINC000922129905 656643617 /nfs/dbraw/zinc/64/36/17/656643617.db2.gz WQHKJTMYVJMZKP-ZDUSSCGKSA-N 0 3 287.360 -1.288 20 0 CAADHN CN(CCNC(=O)[C@H]1COC(=O)N1C)CCOCCO ZINC000922127805 656644505 /nfs/dbraw/zinc/64/45/05/656644505.db2.gz DAZFQANFUBIAIY-SNVBAGLBSA-N 0 3 289.332 -1.506 20 0 CAADHN COC[C@H](C)N1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032837098 656648696 /nfs/dbraw/zinc/64/86/96/656648696.db2.gz UQGWARRSLYZFNW-AEJSXWLSSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001032837088 656649001 /nfs/dbraw/zinc/64/90/01/656649001.db2.gz QBHRKNIJZNGPOD-HLTSFMKQSA-N 0 3 284.316 -1.844 20 0 CAADHN CO[C@@H](C)CN1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841848 656650729 /nfs/dbraw/zinc/65/07/29/656650729.db2.gz HPSNUCQNPPDERD-AEJSXWLSSA-N 0 3 298.343 -1.190 20 0 CAADHN Cn1nnc(C(=O)NC2CCN(CCCO)CC2)n1 ZINC001003452697 656650969 /nfs/dbraw/zinc/65/09/69/656650969.db2.gz JXNVXNNZDMRDHS-UHFFFAOYSA-N 0 3 268.321 -1.213 20 0 CAADHN COC[C@H](C)N1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841864 656651161 /nfs/dbraw/zinc/65/11/61/656651161.db2.gz JPMSSGYLGSDURK-AEJSXWLSSA-N 0 3 298.343 -1.190 20 0 CAADHN CN1C[C@H](C(=O)NC2CCN(CCO)CC2)NC1=O ZINC001003437085 656651306 /nfs/dbraw/zinc/65/13/06/656651306.db2.gz NYPWDPFGORDHJZ-SNVBAGLBSA-N 0 3 270.333 -1.417 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841825 656651441 /nfs/dbraw/zinc/65/14/41/656651441.db2.gz AELLIMSTMALITQ-YIZRAAEISA-N 0 3 284.316 -1.844 20 0 CAADHN CO[C@H](C)CN1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841849 656651963 /nfs/dbraw/zinc/65/19/63/656651963.db2.gz HPSNUCQNPPDERD-BBBLOLIVSA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001032841824 656652485 /nfs/dbraw/zinc/65/24/85/656652485.db2.gz AELLIMSTMALITQ-HLTSFMKQSA-N 0 3 284.316 -1.844 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032843110 656653349 /nfs/dbraw/zinc/65/33/49/656653349.db2.gz GNHNPVYGKQLJMS-AEJSXWLSSA-N 0 3 255.318 -1.164 20 0 CAADHN O=C(NC1CCN(CCO)CC1)c1c[nH]c(=O)cn1 ZINC001003516440 656653382 /nfs/dbraw/zinc/65/33/82/656653382.db2.gz RKXOCLLSEIIKOD-UHFFFAOYSA-N 0 3 266.301 -1.044 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001032843111 656654097 /nfs/dbraw/zinc/65/40/97/656654097.db2.gz GNHNPVYGKQLJMS-BBBLOLIVSA-N 0 3 255.318 -1.164 20 0 CAADHN Cn1ccc(CN2CCC(NC(=O)C(N)=O)CC2)cc1=O ZINC001003534608 656654575 /nfs/dbraw/zinc/65/45/75/656654575.db2.gz LFSRVTKKGKYCHY-UHFFFAOYSA-N 0 3 292.339 -1.049 20 0 CAADHN Cc1nc(C)n(CCN2CCC(NC(=O)C(N)=O)CC2)n1 ZINC001003540000 656655649 /nfs/dbraw/zinc/65/56/49/656655649.db2.gz PRTKUVKMDRPSMG-UHFFFAOYSA-N 0 3 294.359 -1.039 20 0 CAADHN C[C@@H](C(N)=O)N1CCC(NC(=O)c2ncn[nH]2)CC1 ZINC001003813763 656664135 /nfs/dbraw/zinc/66/41/35/656664135.db2.gz KTZJTAAUHOQVFP-ZETCQYMHSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@@H](C(N)=O)N1CCC(NC(=O)c2nc[nH]n2)CC1 ZINC001003813763 656664139 /nfs/dbraw/zinc/66/41/39/656664139.db2.gz KTZJTAAUHOQVFP-ZETCQYMHSA-N 0 3 266.305 -1.127 20 0 CAADHN O=C(NC1CCN([C@@H]2CCNC2=O)CC1)c1ncn[nH]1 ZINC001003813583 656664269 /nfs/dbraw/zinc/66/42/69/656664269.db2.gz JDBXNZITMGUNSM-SECBINFHSA-N 0 3 278.316 -1.113 20 0 CAADHN O=C(NC1CCN([C@@H]2CCNC2=O)CC1)c1nc[nH]n1 ZINC001003813583 656664279 /nfs/dbraw/zinc/66/42/79/656664279.db2.gz JDBXNZITMGUNSM-SECBINFHSA-N 0 3 278.316 -1.113 20 0 CAADHN COCCN1CC[C@H](N(C)C(=O)Cn2cnnn2)C1 ZINC001032892495 656665480 /nfs/dbraw/zinc/66/54/80/656665480.db2.gz HFHMPWPFLMEVSY-JTQLQIEISA-N 0 3 268.321 -1.148 20 0 CAADHN CN(C(=O)Cn1cnnn1)[C@@H]1CCN(CCO)C1 ZINC001032891369 656665872 /nfs/dbraw/zinc/66/58/72/656665872.db2.gz CTZWIRUYKOLQFC-SECBINFHSA-N 0 3 254.294 -1.802 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)NC1CCN(CCO)CC1 ZINC001003913975 656667326 /nfs/dbraw/zinc/66/73/26/656667326.db2.gz AJVOWNTULVYQCQ-UHFFFAOYSA-N 0 3 298.343 -1.499 20 0 CAADHN CNC(=O)CN1CCC(NC(=O)Cc2nnc[nH]2)CC1 ZINC001003932678 656667832 /nfs/dbraw/zinc/66/78/32/656667832.db2.gz LSOUZSPIKNQOHO-UHFFFAOYSA-N 0 3 280.332 -1.326 20 0 CAADHN C[C@H](C(N)=O)N1CCC(NC(=O)Cc2nnc[nH]2)CC1 ZINC001003930761 656667986 /nfs/dbraw/zinc/66/79/86/656667986.db2.gz RVSDGCQGEQNKNC-MRVPVSSYSA-N 0 3 280.332 -1.198 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@@H]1CCC(=O)N1 ZINC001004004522 656670092 /nfs/dbraw/zinc/67/00/92/656670092.db2.gz MQCAPPAULZGFCD-JTQLQIEISA-N 0 3 255.318 -1.162 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)NC2CCN(CCO)CC2)C1 ZINC001004075820 656672393 /nfs/dbraw/zinc/67/23/93/656672393.db2.gz PTKXSHVESVRQKY-CYBMUJFWSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C(=O)[C@@H]1COCCN1C)[C@@H]1CCN(CCO)C1 ZINC001033018223 656673707 /nfs/dbraw/zinc/67/37/07/656673707.db2.gz FHSBBPLMGQOINW-NEPJUHHUSA-N 0 3 271.361 -1.158 20 0 CAADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033023859 656673753 /nfs/dbraw/zinc/67/37/53/656673753.db2.gz RNBYSENSCRMPNK-ZJUUUORDSA-N 0 3 283.332 -1.103 20 0 CAADHN CN(C(=O)[C@H]1COCCN1C)[C@H]1CCN(CCO)C1 ZINC001033018227 656673936 /nfs/dbraw/zinc/67/39/36/656673936.db2.gz FHSBBPLMGQOINW-NWDGAFQWSA-N 0 3 271.361 -1.158 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)CN2CN=NC2=O)C1 ZINC001033023849 656674394 /nfs/dbraw/zinc/67/43/94/656674394.db2.gz RNBYSENSCRMPNK-NXEZZACHSA-N 0 3 283.332 -1.103 20 0 CAADHN CC(=O)N1CC(C(=O)N(C)[C@H]2CCN(CCO)C2)C1 ZINC001033037089 656676536 /nfs/dbraw/zinc/67/65/36/656676536.db2.gz DNBOLCJHYWQHRH-LBPRGKRZSA-N 0 3 269.345 -1.010 20 0 CAADHN Cn1cc(C(=O)NC2CCN(CCO)CC2)c(=O)[nH]c1=O ZINC001004135036 656676656 /nfs/dbraw/zinc/67/66/56/656676656.db2.gz YLUSEWWJAUWPQS-UHFFFAOYSA-N 0 3 296.327 -1.328 20 0 CAADHN CN(C(=O)[C@H]1COC(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033044695 656676924 /nfs/dbraw/zinc/67/69/24/656676924.db2.gz GGBQMVVMOTXUEO-DTWKUNHWSA-N 0 3 257.290 -1.380 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@@H]1CCS(=O)(=O)N1 ZINC001004167273 656678406 /nfs/dbraw/zinc/67/84/06/656678406.db2.gz OXJHTJFBCYRHJP-JTQLQIEISA-N 0 3 291.373 -1.749 20 0 CAADHN O=C(NC1CCN(CCO)CC1)[C@H]1CCS(=O)(=O)N1 ZINC001004167276 656680555 /nfs/dbraw/zinc/68/05/55/656680555.db2.gz OXJHTJFBCYRHJP-SNVBAGLBSA-N 0 3 291.373 -1.749 20 0 CAADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033085905 656681087 /nfs/dbraw/zinc/68/10/87/656681087.db2.gz KKJMTUBVXGNGEB-ZJUUUORDSA-N 0 3 268.321 -1.413 20 0 CAADHN COCCN1CC[C@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001033087899 656683015 /nfs/dbraw/zinc/68/30/15/656683015.db2.gz QJOGJORVBKDZQL-JTQLQIEISA-N 0 3 268.321 -1.148 20 0 CAADHN CN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CCN(CCO)C1 ZINC001033097273 656685536 /nfs/dbraw/zinc/68/55/36/656685536.db2.gz WFWYMKFCYUKYIV-VIFPVBQESA-N 0 3 296.331 -2.098 20 0 CAADHN CN(C(=O)Cn1nccn1)[C@@H]1CCN(CCO)C1 ZINC001033122627 656687211 /nfs/dbraw/zinc/68/72/11/656687211.db2.gz LQZKQOQYKIXOHW-SNVBAGLBSA-N 0 3 253.306 -1.197 20 0 CAADHN CN(C(=O)[C@@H]1CC(=O)N(C)C1)[C@@H]1CCN(CCO)C1 ZINC001033125014 656688186 /nfs/dbraw/zinc/68/81/86/656688186.db2.gz TXSYIVKORNPWRI-GHMZBOCLSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C(=O)c1cc(=O)n(C)cn1)[C@@H]1CCN(CCO)C1 ZINC001033153592 656690408 /nfs/dbraw/zinc/69/04/08/656690408.db2.gz IWBWSORFKMLQBV-SNVBAGLBSA-N 0 3 280.328 -1.081 20 0 CAADHN CN(C(=O)CN1CCOCC1=O)[C@H]1CCN(CCO)C1 ZINC001033152043 656690599 /nfs/dbraw/zinc/69/05/99/656690599.db2.gz JPLNHHCHLGIWBJ-NSHDSACASA-N 0 3 285.344 -1.630 20 0 CAADHN NC(=O)CN1C[C@@H]2CCN(C(=O)C(N)=O)CC[C@@H]2C1 ZINC000946751735 656692775 /nfs/dbraw/zinc/69/27/75/656692775.db2.gz AWYOSYXUMSDACM-DTORHVGOSA-N 0 3 268.317 -1.873 20 0 CAADHN CN(C(=O)CN1CCN(C)C(=O)C1)[C@@H]1CCN(CCO)C1 ZINC001033209189 656694167 /nfs/dbraw/zinc/69/41/67/656694167.db2.gz ZFGHGKYEHOGFBA-GFCCVEGCSA-N 0 3 298.387 -1.715 20 0 CAADHN CN(C(=O)CN1CCCNC1=O)[C@@H]1CCN(CCO)C1 ZINC001033224190 656694979 /nfs/dbraw/zinc/69/49/79/656694979.db2.gz BAGBDZQBPWWCLF-LLVKDONJSA-N 0 3 284.360 -1.073 20 0 CAADHN CN(C(=O)Cn1ncn(C)c1=O)[C@H]1CCN(CCCO)C1 ZINC001033207087 656696016 /nfs/dbraw/zinc/69/60/16/656696016.db2.gz LTCUIMFAQMTLDR-NSHDSACASA-N 0 3 297.359 -1.503 20 0 CAADHN O[C@@H](COC[C@H]1CCCO1)CN1C[C@H](O)[C@@H](O)C1 ZINC000625712267 656704408 /nfs/dbraw/zinc/70/44/08/656704408.db2.gz SKWLBSUUFMVDFA-WYUUTHIRSA-N 0 3 261.318 -1.420 20 0 CAADHN CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033328959 656704593 /nfs/dbraw/zinc/70/45/93/656704593.db2.gz QYERQFRGYZJKIX-UWVGGRQHSA-N 0 3 270.333 -1.465 20 0 CAADHN CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CCN(CCCO)C1 ZINC001033327035 656704678 /nfs/dbraw/zinc/70/46/78/656704678.db2.gz GGJNSTURQWLDGA-QWRGUYRKSA-N 0 3 284.360 -1.075 20 0 CAADHN CN(C(=O)CN1CCNC(=O)C1)[C@@H]1CCN(CCCO)C1 ZINC001033327937 656706138 /nfs/dbraw/zinc/70/61/38/656706138.db2.gz LNQLNXFRNNVGQO-GFCCVEGCSA-N 0 3 298.387 -1.667 20 0 CAADHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)c2nnn(C)n2)C1 ZINC001033338084 656706380 /nfs/dbraw/zinc/70/63/80/656706380.db2.gz VETXGCPODPVSMU-BDAKNGLRSA-N 0 3 268.321 -1.263 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033327337 656706665 /nfs/dbraw/zinc/70/66/65/656706665.db2.gz HWKKGTMNQZCIOG-VXGBXAGGSA-N 0 3 298.387 -1.668 20 0 CAADHN COCCN1CC[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001033328217 656706884 /nfs/dbraw/zinc/70/68/84/656706884.db2.gz NHFBQVOKMIAAPA-GFCCVEGCSA-N 0 3 298.387 -1.403 20 0 CAADHN CN(C(=O)[C@@H]1CCN(C)C1=O)[C@@H]1CCN(CCO)C1 ZINC001033341194 656707898 /nfs/dbraw/zinc/70/78/98/656707898.db2.gz MNMKDUJZMATTNZ-GHMZBOCLSA-N 0 3 269.345 -1.010 20 0 CAADHN CN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(CCCO)C1 ZINC001033371464 656708126 /nfs/dbraw/zinc/70/81/26/656708126.db2.gz AHIADFDWNWTSGV-NXEZZACHSA-N 0 3 270.333 -1.417 20 0 CAADHN CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033372757 656708760 /nfs/dbraw/zinc/70/87/60/656708760.db2.gz KLLRUQLJBIWCIN-DTWKUNHWSA-N 0 3 256.306 -1.807 20 0 CAADHN CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CCN(CCCO)C1 ZINC001033371475 656708959 /nfs/dbraw/zinc/70/89/59/656708959.db2.gz AHIADFDWNWTSGV-VHSXEESVSA-N 0 3 270.333 -1.417 20 0 CAADHN CN(C(=O)[C@H]1CCN(C)C1=O)[C@@H]1CCN(CCO)C1 ZINC001033341198 656709341 /nfs/dbraw/zinc/70/93/41/656709341.db2.gz MNMKDUJZMATTNZ-MNOVXSKESA-N 0 3 269.345 -1.010 20 0 CAADHN COCCN1CC[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001033373958 656711852 /nfs/dbraw/zinc/71/18/52/656711852.db2.gz RPIJPZHXEFOSAT-ZJUUUORDSA-N 0 3 270.333 -1.153 20 0 CAADHN CN(C(=O)C1CC(=O)NC(=O)C1)[C@@H]1CCN(CCCO)C1 ZINC001033503583 656714532 /nfs/dbraw/zinc/71/45/32/656714532.db2.gz ZOKLCDSFRNAEDE-LLVKDONJSA-N 0 3 297.355 -1.046 20 0 CAADHN COCCN1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001033462878 656714682 /nfs/dbraw/zinc/71/46/82/656714682.db2.gz CWTCLKUIJODQHO-ZJUUUORDSA-N 0 3 298.343 -1.236 20 0 CAADHN CN(C(=O)[C@H]1C[C@H]1C(N)=O)[C@@H]1CCN(CCO)C1 ZINC001033425931 656714861 /nfs/dbraw/zinc/71/48/61/656714861.db2.gz LJTBWDCBDYVSOF-BBBLOLIVSA-N 0 3 255.318 -1.367 20 0 CAADHN CN(C(=O)CN1CC(=O)NC1=O)[C@H]1CCN(CCO)C1 ZINC001033507192 656715481 /nfs/dbraw/zinc/71/54/81/656715481.db2.gz CPIQZGLEIDZDMK-VIFPVBQESA-N 0 3 284.316 -1.937 20 0 CAADHN C[C@H](O)CN1CC[C@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001033501046 656716906 /nfs/dbraw/zinc/71/69/06/656716906.db2.gz AFEUZLKECRIYAG-ONGXEEELSA-N 0 3 297.355 -1.047 20 0 CAADHN CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CCN(CCCO)C1 ZINC001033463269 656717060 /nfs/dbraw/zinc/71/70/60/656717060.db2.gz JZWRXHVFNRMJAS-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033463010 656717246 /nfs/dbraw/zinc/71/72/46/656717246.db2.gz GKQGPIRJFBMCHL-IUCAKERBSA-N 0 3 284.316 -1.891 20 0 CAADHN CNC(=O)CN1CC[C@@H](N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001033560685 656717853 /nfs/dbraw/zinc/71/78/53/656717853.db2.gz BGGFDFBUQWIMRO-SECBINFHSA-N 0 3 280.332 -1.374 20 0 CAADHN CN(C(=O)Cc1ncn[nH]1)[C@@H]1CCN(CC(N)=O)C1 ZINC001033572145 656720259 /nfs/dbraw/zinc/72/02/59/656720259.db2.gz YFNQQNHGFLAHFF-MRVPVSSYSA-N 0 3 266.305 -1.635 20 0 CAADHN CN(C(=O)Cc1ncn[nH]1)[C@H]1CCN(CC(N)=O)C1 ZINC001033572146 656720770 /nfs/dbraw/zinc/72/07/70/656720770.db2.gz YFNQQNHGFLAHFF-QMMMGPOBSA-N 0 3 266.305 -1.635 20 0 CAADHN CN(C(=O)CN1CC(=O)N(C)C1=O)[C@@H]1CCN(CCO)C1 ZINC001033577429 656720843 /nfs/dbraw/zinc/72/08/43/656720843.db2.gz MWKIZJJXZGPXKL-SNVBAGLBSA-N 0 3 298.343 -1.595 20 0 CAADHN CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CCN(CCCO)C1 ZINC001033643235 656725920 /nfs/dbraw/zinc/72/59/20/656725920.db2.gz WEVVLBBPYWXTMA-SNVBAGLBSA-N 0 3 298.343 -1.547 20 0 CAADHN CN(C(=O)Cn1cncn1)[C@H]1CCN(CCO)C1 ZINC001033646500 656726319 /nfs/dbraw/zinc/72/63/19/656726319.db2.gz ZKTZHSBTALNQBW-JTQLQIEISA-N 0 3 253.306 -1.197 20 0 CAADHN CN(C(=O)CN1C(=O)CNC1=O)[C@@H]1CCN(CCO)C1 ZINC001033641735 656726681 /nfs/dbraw/zinc/72/66/81/656726681.db2.gz BZEMWYNUALDNAN-SECBINFHSA-N 0 3 284.316 -1.937 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N(C)[C@@H]1CCN(CCO)C1 ZINC001033674543 656729126 /nfs/dbraw/zinc/72/91/26/656729126.db2.gz KTZWLWWCQCNLQF-CHWSQXEVSA-N 0 3 299.371 -1.241 20 0 CAADHN CN(C(=O)CN1CN=NC1=O)C1CCN(CCO)CC1 ZINC001005286355 656729524 /nfs/dbraw/zinc/72/95/24/656729524.db2.gz DRMZTQRTZZVHLH-UHFFFAOYSA-N 0 3 283.332 -1.101 20 0 CAADHN CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(CCCO)C1 ZINC001033937423 656733729 /nfs/dbraw/zinc/73/37/29/656733729.db2.gz ICXVANXELQTJRO-MNOVXSKESA-N 0 3 284.360 -1.027 20 0 CAADHN CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033921194 656733759 /nfs/dbraw/zinc/73/37/59/656733759.db2.gz YKLXOAWHCXXADJ-WDEREUQCSA-N 0 3 284.360 -1.075 20 0 CAADHN CCN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033921192 656734886 /nfs/dbraw/zinc/73/48/86/656734886.db2.gz YKLXOAWHCXXADJ-QWRGUYRKSA-N 0 3 284.360 -1.075 20 0 CAADHN CCN(C(=O)[C@@H]1CNC(=O)N1)[C@H]1CCN(CCO)C1 ZINC001033936396 656735005 /nfs/dbraw/zinc/73/50/05/656735005.db2.gz ADBWVWQPPQOAQB-UWVGGRQHSA-N 0 3 270.333 -1.417 20 0 CAADHN CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(CCCO)C1 ZINC001033937422 656735149 /nfs/dbraw/zinc/73/51/49/656735149.db2.gz ICXVANXELQTJRO-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN O=C(Cn1cnnn1)N[C@H]1CCCCN(CCO)C1 ZINC001034096421 656735195 /nfs/dbraw/zinc/73/51/95/656735195.db2.gz CTTDFTQEQZECSV-JTQLQIEISA-N 0 3 268.321 -1.364 20 0 CAADHN CCN(C(=O)[C@H]1CN(C)C(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033921186 656735215 /nfs/dbraw/zinc/73/52/15/656735215.db2.gz YKLXOAWHCXXADJ-GHMZBOCLSA-N 0 3 284.360 -1.075 20 0 CAADHN CCN(C(=O)[C@H]1CNC(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033936395 656735540 /nfs/dbraw/zinc/73/55/40/656735540.db2.gz ADBWVWQPPQOAQB-NXEZZACHSA-N 0 3 270.333 -1.417 20 0 CAADHN CCN(C(=O)[C@@H]1CNC(=O)N1)[C@@H]1CCN(CCO)C1 ZINC001033936398 656735571 /nfs/dbraw/zinc/73/55/71/656735571.db2.gz ADBWVWQPPQOAQB-ZJUUUORDSA-N 0 3 270.333 -1.417 20 0 CAADHN CCNC(=O)N1CCN(C(=O)[C@@H](N)CN(C)C)CC1 ZINC000702343619 656736330 /nfs/dbraw/zinc/73/63/30/656736330.db2.gz ZMONVNYDJPCMRQ-JTQLQIEISA-N 0 3 271.365 -1.251 20 0 CAADHN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H](N)CN(C)C ZINC000702420232 656736726 /nfs/dbraw/zinc/73/67/26/656736726.db2.gz KSHPEXOGKVRPEZ-BBBLOLIVSA-N 0 3 256.350 -1.012 20 0 CAADHN COCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CN(C)C ZINC000702387279 656737080 /nfs/dbraw/zinc/73/70/80/656737080.db2.gz MJQVDUDRBGDAIG-JTQLQIEISA-N 0 3 274.365 -1.562 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000702391541 656738839 /nfs/dbraw/zinc/73/88/39/656738839.db2.gz YTFJIQFWOUSPSN-NSHDSACASA-N 0 3 285.392 -1.892 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CCCCN(CCO)C1 ZINC001034207377 656738981 /nfs/dbraw/zinc/73/89/81/656738981.db2.gz KLBJPDCRAVEBFL-SNVBAGLBSA-N 0 3 268.321 -1.364 20 0 CAADHN O=C(N[C@@H]1CCCCN(CCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001034421836 656743027 /nfs/dbraw/zinc/74/30/27/656743027.db2.gz QNYZNBQUMHGMME-ZJUUUORDSA-N 0 3 298.343 -1.453 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCCN(CCO)C2)O1 ZINC001034397297 656743683 /nfs/dbraw/zinc/74/36/83/656743683.db2.gz JCZUVACNXCPEHR-GRYCIOLGSA-N 0 3 299.371 -1.018 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCCN(CCO)C1 ZINC001034518886 656746021 /nfs/dbraw/zinc/74/60/21/656746021.db2.gz YCXOSWVGIQRNPT-SNVBAGLBSA-N 0 3 298.343 -1.499 20 0 CAADHN CN1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001005656847 656746916 /nfs/dbraw/zinc/74/69/16/656746916.db2.gz NXHOEJWWHOTZAA-ZNSHCXBVSA-N 0 3 294.355 -1.186 20 0 CAADHN CN([C@H]1C[C@@H](C(N)=O)C1)S(=O)(=O)N1CCNCC1 ZINC000703510105 656747063 /nfs/dbraw/zinc/74/70/63/656747063.db2.gz DWXQBIBZNBAAPB-DTORHVGOSA-N 0 3 276.362 -1.668 20 0 CAADHN Cn1[n-]c(C[NH2+]C[C@H]2CCCN2C(=O)CC(N)=O)nc1=O ZINC001034889885 656750307 /nfs/dbraw/zinc/75/03/07/656750307.db2.gz UQIMATLMINQOAI-MRVPVSSYSA-N 0 3 296.331 -1.936 20 0 CAADHN Cn1nnc(C(=O)N2CCC[C@@H]2CN[C@@H]2CCNC2=O)n1 ZINC001035017447 656750358 /nfs/dbraw/zinc/75/03/58/656750358.db2.gz SQKYJNBJHRJSBB-RKDXNWHRSA-N 0 3 293.331 -1.707 20 0 CAADHN CN1CC[C@@H](NC[C@H]2CCCN2C(=O)CC(N)=O)C1=O ZINC001034888218 656750603 /nfs/dbraw/zinc/75/06/03/656750603.db2.gz VAZYCXLALCDUHU-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001034889587 656750957 /nfs/dbraw/zinc/75/09/57/656750957.db2.gz RMHQSKPGXZXMLI-RKDXNWHRSA-N 0 3 268.317 -1.669 20 0 CAADHN Cn1cc(CNC[C@H]2CCCN2C(=O)C(N)=O)cn1 ZINC001035031474 656750975 /nfs/dbraw/zinc/75/09/75/656750975.db2.gz AGDWNYCYRFOFBW-SNVBAGLBSA-N 0 3 265.317 -1.014 20 0 CAADHN Cn1nncc1C(=O)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001034925355 656751213 /nfs/dbraw/zinc/75/12/13/656751213.db2.gz JCAPSANBYLNPSA-NXEZZACHSA-N 0 3 292.343 -1.102 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CCC[C@@H]1CN[C@H]1CCNC1=O ZINC001034879765 656751620 /nfs/dbraw/zinc/75/16/20/656751620.db2.gz KIHCNZBYDMNRST-OUAUKWLOSA-N 0 3 294.355 -1.266 20 0 CAADHN CN1CC[C@@H](NC[C@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001035035084 656752170 /nfs/dbraw/zinc/75/21/70/656752170.db2.gz PRTHFNJKUGWBNX-RKDXNWHRSA-N 0 3 268.317 -1.717 20 0 CAADHN Cn1ncc(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)n1 ZINC001035077098 656752183 /nfs/dbraw/zinc/75/21/83/656752183.db2.gz BJNMLSPEIQTBQV-ZJUUUORDSA-N 0 3 292.343 -1.102 20 0 CAADHN NC(=O)C(=O)N1CCC2(CCN([C@H]3CCNC3=O)C2)CC1 ZINC001035220639 656753246 /nfs/dbraw/zinc/75/32/46/656753246.db2.gz IZZJCGGOGFMKEO-JTQLQIEISA-N 0 3 294.355 -1.325 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]1CN[C@@H]1CCC(=O)NC1=O ZINC001035035707 656753629 /nfs/dbraw/zinc/75/36/29/656753629.db2.gz VQVQZRWUBCDACZ-HTQZYQBOSA-N 0 3 282.300 -2.143 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CCC[C@@H]1CN[C@@H]1CCNC1=O ZINC001035106665 656753645 /nfs/dbraw/zinc/75/36/45/656753645.db2.gz KIHCNZBYDMNRST-MXWKQRLJSA-N 0 3 294.355 -1.266 20 0 CAADHN CNC(=O)[C@@H](C)N1CCC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035220683 656754248 /nfs/dbraw/zinc/75/42/48/656754248.db2.gz KMZPUPMLJVKOKB-SNVBAGLBSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(C)C[C@H](N)C(=O)N1CCN(C)C(=O)C1(C)C ZINC000705228433 656754641 /nfs/dbraw/zinc/75/46/41/656754641.db2.gz FQDIKKIRTZWPEO-VIFPVBQESA-N 0 3 256.350 -1.046 20 0 CAADHN NC(=O)C(=O)N1CCC2(CCN([C@@H]3CCNC3=O)C2)CC1 ZINC001035220640 656754713 /nfs/dbraw/zinc/75/47/13/656754713.db2.gz IZZJCGGOGFMKEO-SNVBAGLBSA-N 0 3 294.355 -1.325 20 0 CAADHN CCNS(=O)(=O)CCNC(=O)C(N)C(F)(F)F ZINC000705544504 656766679 /nfs/dbraw/zinc/76/66/79/656766679.db2.gz DFZQHYQMPUGOPE-RXMQYKEDSA-N 0 3 277.268 -1.069 20 0 CAADHN CCOC[C@H]1CN(S(=O)(=O)N2CCNCC2)CCO1 ZINC000705812911 656774767 /nfs/dbraw/zinc/77/47/67/656774767.db2.gz DOZGPLJANZHCRR-LLVKDONJSA-N 0 3 293.389 -1.126 20 0 CAADHN NC(=O)CC(=O)N1CCC2(CN(CCO)C2)CC1 ZINC001035672065 656781497 /nfs/dbraw/zinc/78/14/97/656781497.db2.gz DTLRUPJFSYDAQD-UHFFFAOYSA-N 0 3 255.318 -1.222 20 0 CAADHN O=C(Cn1cnnn1)N1CCC2(CN(CCO)C2)CC1 ZINC001035650913 656781729 /nfs/dbraw/zinc/78/17/29/656781729.db2.gz XTVPGAVBMXSFNA-UHFFFAOYSA-N 0 3 280.332 -1.410 20 0 CAADHN C[C@H](O)CN1CC2(C1)CCN(C(=O)Cn1cnnn1)CC2 ZINC001035645791 656782252 /nfs/dbraw/zinc/78/22/52/656782252.db2.gz LYIADHGCUFCXSP-NSHDSACASA-N 0 3 294.359 -1.022 20 0 CAADHN C[C@@H](O)CN1CC2(C1)CCN(C(=O)C(N)=O)CC2 ZINC001035780386 656782615 /nfs/dbraw/zinc/78/26/15/656782615.db2.gz DZNXYIXXVXRVEP-SECBINFHSA-N 0 3 255.318 -1.223 20 0 CAADHN C[C@@H](O)CN1CC2(C1)CCN(C(=O)Cn1ncnn1)CC2 ZINC001035705318 656782641 /nfs/dbraw/zinc/78/26/41/656782641.db2.gz CONWKDCBQIPERI-LLVKDONJSA-N 0 3 294.359 -1.022 20 0 CAADHN O=C(CCn1cnnn1)N1CCC2(CN(CCO)C2)CC1 ZINC001035823996 656782801 /nfs/dbraw/zinc/78/28/01/656782801.db2.gz PEZMPCXGPWGZAV-UHFFFAOYSA-N 0 3 294.359 -1.020 20 0 CAADHN NC(=O)CN1CC2(C1)CCN(C(=O)Cc1ncn[nH]1)CC2 ZINC001035836398 656783221 /nfs/dbraw/zinc/78/32/21/656783221.db2.gz XWNKTERALVJSOQ-UHFFFAOYSA-N 0 3 292.343 -1.243 20 0 CAADHN CN1C[C@@H](C(=O)N2CCC3(CN(CCO)C3)CC2)NC1=O ZINC001035768731 656784549 /nfs/dbraw/zinc/78/45/49/656784549.db2.gz MJKCWAQSXQFKGU-NSHDSACASA-N 0 3 296.371 -1.073 20 0 CAADHN C[C@@H](O)CN1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035782119 656784623 /nfs/dbraw/zinc/78/46/23/656784623.db2.gz NQGICVSXWAPYKX-MNOVXSKESA-N 0 3 296.371 -1.027 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)CC[C@@H]1NCc1nncn1C ZINC001036175760 656787654 /nfs/dbraw/zinc/78/76/54/656787654.db2.gz TYWAICDSUDNSIG-BDAKNGLRSA-N 0 3 280.332 -1.373 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)CC[C@H]1NCc1nncn1C ZINC001036175770 656788241 /nfs/dbraw/zinc/78/82/41/656788241.db2.gz TYWAICDSUDNSIG-RKDXNWHRSA-N 0 3 280.332 -1.373 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)CC[C@H]1NCc1nncn1C ZINC001036175763 656788348 /nfs/dbraw/zinc/78/83/48/656788348.db2.gz TYWAICDSUDNSIG-DTWKUNHWSA-N 0 3 280.332 -1.373 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)CC[C@@H]1NCc1cn(C)nn1 ZINC001036176240 656788462 /nfs/dbraw/zinc/78/84/62/656788462.db2.gz VOKNSWIZVKODKQ-WPRPVWTQSA-N 0 3 280.332 -1.373 20 0 CAADHN C[C@H]1CN(C(=O)c2cn[n-]n2)CC[C@H]1[NH2+]CC(N)=O ZINC001036089861 656789333 /nfs/dbraw/zinc/78/93/33/656789333.db2.gz MQJYJNUZTDUCPH-JGVFFNPUSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@H]1CN(C(=O)c2nc[n-]n2)CC[C@H]1[NH2+]CC(N)=O ZINC001036214095 656791260 /nfs/dbraw/zinc/79/12/60/656791260.db2.gz BOKSHMPFHJVQLV-JGVFFNPUSA-N 0 3 266.305 -1.270 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)CC[C@@H]1[NH2+]CC(N)=O ZINC001036214098 656791288 /nfs/dbraw/zinc/79/12/88/656791288.db2.gz BOKSHMPFHJVQLV-SFYZADRCSA-N 0 3 266.305 -1.270 20 0 CAADHN CN1CC(C(=O)N2CCN(C)C[C@@H]2CO)=NC1=O ZINC000708322379 656791979 /nfs/dbraw/zinc/79/19/79/656791979.db2.gz DJGWVBNMYDVKAE-MRVPVSSYSA-N 0 3 254.290 -1.126 20 0 CAADHN CN(CCn1cccn1)S(=O)(=O)N1CCNCC1 ZINC000707570890 656792102 /nfs/dbraw/zinc/79/21/02/656792102.db2.gz HPFLKURGSBSEFY-UHFFFAOYSA-N 0 3 273.362 -1.035 20 0 CAADHN CCN1CC[C@H](NC(=O)N2CC(S(N)(=O)=O)C2)C1 ZINC000922906366 656797553 /nfs/dbraw/zinc/79/75/53/656797553.db2.gz BTVMCHCDNZIVNZ-QMMMGPOBSA-N 0 3 276.362 -1.237 20 0 CAADHN CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CCN(CCO)CC1 ZINC001005827278 656799453 /nfs/dbraw/zinc/79/94/53/656799453.db2.gz VKBVSEZTPNQASC-LLVKDONJSA-N 0 3 284.360 -1.075 20 0 CAADHN CN(C(=O)C(N)=O)C1CCN(CCn2cncn2)CC1 ZINC001005921535 656801759 /nfs/dbraw/zinc/80/17/59/656801759.db2.gz SYYVHPOYIJUHAO-UHFFFAOYSA-N 0 3 280.332 -1.314 20 0 CAADHN CN(C(=O)[C@@H]1CNC(=O)N1)C1CCN(CCO)CC1 ZINC001005918558 656802008 /nfs/dbraw/zinc/80/20/08/656802008.db2.gz SPSDOOOORIOBSS-JTQLQIEISA-N 0 3 270.333 -1.417 20 0 CAADHN COC[C@@H](O)CN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000923332096 656802544 /nfs/dbraw/zinc/80/25/44/656802544.db2.gz HCKLDWHEOOABLS-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H](C)N1 ZINC000923569582 656807111 /nfs/dbraw/zinc/80/71/11/656807111.db2.gz PKMQZCGENGTCLO-UWVGGRQHSA-N 0 3 262.379 -1.181 20 0 CAADHN C[C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H](C)N1 ZINC000923569580 656807144 /nfs/dbraw/zinc/80/71/44/656807144.db2.gz PKMQZCGENGTCLO-AOOOYVTPSA-N 0 3 262.379 -1.181 20 0 CAADHN NC(=O)C(=O)N1CCC(O)(CN[C@H]2CCNC2=O)CC1 ZINC000946924184 656807180 /nfs/dbraw/zinc/80/71/80/656807180.db2.gz DIDVTACAYLTGFN-QMMMGPOBSA-N 0 3 284.316 -2.697 20 0 CAADHN Nc1ccnc(CNC(=O)[C@H]2CN3CCN2CCC3)n1 ZINC000408033070 656807757 /nfs/dbraw/zinc/80/77/57/656807757.db2.gz HGRBEXWNZRJMAY-SNVBAGLBSA-N 0 3 276.344 -0.935 20 0 CAADHN O=C1CCCN1CCCNS(=O)(=O)N1CCNCC1 ZINC000923580516 656807898 /nfs/dbraw/zinc/80/78/98/656807898.db2.gz AQJXAIVUIQHCDN-UHFFFAOYSA-N 0 3 290.389 -1.262 20 0 CAADHN CCS(=O)(=O)N1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923602681 656808595 /nfs/dbraw/zinc/80/85/95/656808595.db2.gz RSKFKJMKPSBUHW-UHFFFAOYSA-N 0 3 297.402 -1.745 20 0 CAADHN Cc1nc2n(n1)C[C@@H](NS(=O)(=O)C1CNC1)CC2 ZINC000923603509 656808277 /nfs/dbraw/zinc/80/82/77/656808277.db2.gz MQBZETYBWDKEAE-QMMMGPOBSA-N 0 3 271.346 -1.207 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CC(N(C)C(=O)C(N)=O)C1 ZINC001016949495 656808352 /nfs/dbraw/zinc/80/83/52/656808352.db2.gz RFRBZLWSFQAABB-UHFFFAOYSA-N 0 3 293.327 -1.148 20 0 CAADHN CN(C)c1ncc(CNS(=O)(=O)C2CNC2)n1C ZINC000923610025 656809675 /nfs/dbraw/zinc/80/96/75/656809675.db2.gz XTJOUMHVQVOIFA-UHFFFAOYSA-N 0 3 273.362 -1.123 20 0 CAADHN CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)C2CNC2)C1 ZINC000923611424 656809741 /nfs/dbraw/zinc/80/97/41/656809741.db2.gz VEJJDRKSDQPCPM-QMMMGPOBSA-N 0 3 297.402 -1.698 20 0 CAADHN CN(CC(=O)N1CCOCC1)S(=O)(=O)C1CNC1 ZINC000923607874 656809757 /nfs/dbraw/zinc/80/97/57/656809757.db2.gz JEFUFMPEDNDNFN-UHFFFAOYSA-N 0 3 277.346 -1.921 20 0 CAADHN CCc1nnc2n1CCN(S(=O)(=O)C1CNC1)C2 ZINC000923609505 656809918 /nfs/dbraw/zinc/80/99/18/656809918.db2.gz BOQMDIGPLFMHDN-UHFFFAOYSA-N 0 3 271.346 -1.042 20 0 CAADHN CCOCCN1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923607888 656809976 /nfs/dbraw/zinc/80/99/76/656809976.db2.gz JSVHIGDIHAQJPW-UHFFFAOYSA-N 0 3 277.390 -1.058 20 0 CAADHN COC[C@@](C)(CC(=O)OC)NS(=O)(=O)C1CNC1 ZINC000923624298 656810309 /nfs/dbraw/zinc/81/03/09/656810309.db2.gz QHJMATRIWYCSMI-SNVBAGLBSA-N 0 3 280.346 -1.154 20 0 CAADHN O=C1CN(S(=O)(=O)N2CCNCC2)CCN1C1CC1 ZINC000923624694 656810355 /nfs/dbraw/zinc/81/03/55/656810355.db2.gz RLVHJIWJAPWXLZ-UHFFFAOYSA-N 0 3 288.373 -1.557 20 0 CAADHN C[C@@H](O)CN1CCN(S(=O)(=O)C2CNC2)C[C@H]1C ZINC000923620628 656810397 /nfs/dbraw/zinc/81/03/97/656810397.db2.gz KGNCYWDLHAGBJE-NXEZZACHSA-N 0 3 277.390 -1.325 20 0 CAADHN O=S(=O)(NCCCO[C@@H]1CCOC1)N1CCNCC1 ZINC000923626680 656810404 /nfs/dbraw/zinc/81/04/04/656810404.db2.gz GFSGEVYNFUKBLZ-LLVKDONJSA-N 0 3 293.389 -1.078 20 0 CAADHN O=S(=O)(C1CNC1)N1CC[C@H](CN2CCOCC2)C1 ZINC000923621674 656810416 /nfs/dbraw/zinc/81/04/16/656810416.db2.gz XRSWESREJWRQST-LLVKDONJSA-N 0 3 289.401 -1.058 20 0 CAADHN O=S(=O)(C1CNC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000923624428 656810425 /nfs/dbraw/zinc/81/04/25/656810425.db2.gz FEXPSJJQFYPEST-LLVKDONJSA-N 0 3 289.401 -1.058 20 0 CAADHN COC[C@](C)(CC(=O)OC)NS(=O)(=O)C1CNC1 ZINC000923624297 656810866 /nfs/dbraw/zinc/81/08/66/656810866.db2.gz QHJMATRIWYCSMI-JTQLQIEISA-N 0 3 280.346 -1.154 20 0 CAADHN COCCCOC1CN(S(=O)(=O)N2CCNCC2)C1 ZINC000923624948 656810636 /nfs/dbraw/zinc/81/06/36/656810636.db2.gz KZOCJQLOPSZOML-UHFFFAOYSA-N 0 3 293.389 -1.126 20 0 CAADHN O=S(=O)(C1CNC1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000923621676 656810668 /nfs/dbraw/zinc/81/06/68/656810668.db2.gz XRSWESREJWRQST-NSHDSACASA-N 0 3 289.401 -1.058 20 0 CAADHN Cn1cc(N2CCN(S(=O)(=O)C3CNC3)CC2)cn1 ZINC000923623553 656810757 /nfs/dbraw/zinc/81/07/57/656810757.db2.gz AXNLDSSPRLJRGG-UHFFFAOYSA-N 0 3 285.373 -1.156 20 0 CAADHN C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)N1CCNCC1 ZINC000923625488 656810876 /nfs/dbraw/zinc/81/08/76/656810876.db2.gz PIVBMJIMJOGZLO-QWRGUYRKSA-N 0 3 293.389 -1.080 20 0 CAADHN O=S(=O)(C1CNC1)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000923642619 656811390 /nfs/dbraw/zinc/81/13/90/656811390.db2.gz FVRXAMIARWZXRF-NXEZZACHSA-N 0 3 261.347 -1.649 20 0 CAADHN O=S(=O)(C1CNC1)N1CCNC[C@H]1C(F)F ZINC000923640227 656811617 /nfs/dbraw/zinc/81/16/17/656811617.db2.gz IYTBBWNOBCYEIO-ZETCQYMHSA-N 0 3 255.290 -1.173 20 0 CAADHN Cn1ccnc1[C@H]1CNCCN1S(=O)(=O)C1CNC1 ZINC000923641976 656811662 /nfs/dbraw/zinc/81/16/62/656811662.db2.gz BMLYDOKIZLJMKD-SNVBAGLBSA-N 0 3 285.373 -1.332 20 0 CAADHN O=S(=O)([N-][C@H]1CNCCC1(F)F)C1C[NH2+]C1 ZINC000923643389 656811862 /nfs/dbraw/zinc/81/18/62/656811862.db2.gz BBQPNTKFJDBUTD-ZETCQYMHSA-N 0 3 255.290 -1.125 20 0 CAADHN C[C@@H]1CN(CCNS(=O)(=O)C2CNC2)[C@@H](C)CO1 ZINC000923654277 656812252 /nfs/dbraw/zinc/81/22/52/656812252.db2.gz FYBJNKXDALMNPM-VHSXEESVSA-N 0 3 277.390 -1.013 20 0 CAADHN CCn1nc(C)c(CNS(=O)(=O)C2CNC2)n1 ZINC000923650042 656812276 /nfs/dbraw/zinc/81/22/76/656812276.db2.gz HTFXIUPIGAJIBV-UHFFFAOYSA-N 0 3 259.335 -1.002 20 0 CAADHN O=S(=O)([N-][C@H]1CNCCC1(F)F)N1CC[NH2+]CC1 ZINC000923647822 656812323 /nfs/dbraw/zinc/81/23/23/656812323.db2.gz XOIPASQXGUKVOV-QMMMGPOBSA-N 0 3 284.332 -1.277 20 0 CAADHN CCn1nc(C)c(CNS(=O)(=O)N2CCNCC2)n1 ZINC000923650031 656812443 /nfs/dbraw/zinc/81/24/43/656812443.db2.gz HLSPWEIUCVSODG-UHFFFAOYSA-N 0 3 288.377 -1.154 20 0 CAADHN O=S(=O)(N1CCNCC1)N1CC[C@H]2OCCN[C@@H]2C1 ZINC000923645184 656812499 /nfs/dbraw/zinc/81/24/99/656812499.db2.gz RAUDOHLNYIAMOR-GHMZBOCLSA-N 0 3 290.389 -1.801 20 0 CAADHN COC[C@@]1(C)CN(S(=O)(=O)N2CCNCC2)CCO1 ZINC000923662841 656813183 /nfs/dbraw/zinc/81/31/83/656813183.db2.gz SJLCEUCXHDVPQM-LLVKDONJSA-N 0 3 293.389 -1.126 20 0 CAADHN CO[C@@H](CNS(=O)(=O)N1CCNCC1)[C@H]1CCOC1 ZINC000923657663 656813215 /nfs/dbraw/zinc/81/32/15/656813215.db2.gz UKKXXPPFAJCFJO-QWRGUYRKSA-N 0 3 293.389 -1.223 20 0 CAADHN CO[C@H](CNS(=O)(=O)C1CNC1)[C@@H]1CCOC1 ZINC000923657377 656813354 /nfs/dbraw/zinc/81/33/54/656813354.db2.gz PBRDFADIGJIXOV-PSASIEDQSA-N 0 3 264.347 -1.071 20 0 CAADHN O=S(=O)(NC[C@H]1COCCN1)N1CCNCC1 ZINC000923664259 656813440 /nfs/dbraw/zinc/81/34/40/656813440.db2.gz XJOVPSBMMJECND-VIFPVBQESA-N 0 3 264.351 -2.286 20 0 CAADHN CN(C[C@H]1COCCO1)S(=O)(=O)C1CNC1 ZINC000923654921 656813459 /nfs/dbraw/zinc/81/34/59/656813459.db2.gz LRLJLVVVONXNHP-QMMMGPOBSA-N 0 3 250.320 -1.365 20 0 CAADHN CN(CCNS(=O)(=O)N1CCNCC1)CC(F)F ZINC000923661065 656813556 /nfs/dbraw/zinc/81/35/56/656813556.db2.gz AVSKMSFRIJUUGI-UHFFFAOYSA-N 0 3 286.348 -1.077 20 0 CAADHN CO[C@@H](CNS(=O)(=O)N1CCNCC1)[C@@H]1CCOC1 ZINC000923657662 656813625 /nfs/dbraw/zinc/81/36/25/656813625.db2.gz UKKXXPPFAJCFJO-MNOVXSKESA-N 0 3 293.389 -1.223 20 0 CAADHN CCn1nncc1CNS(=O)(=O)N1CCNCC1 ZINC000923659409 656813664 /nfs/dbraw/zinc/81/36/64/656813664.db2.gz IJWMUJZEVYZICO-UHFFFAOYSA-N 0 3 274.350 -1.462 20 0 CAADHN CO[C@H](CNS(=O)(=O)C1CNC1)[C@H]1CCOC1 ZINC000923657379 656813691 /nfs/dbraw/zinc/81/36/91/656813691.db2.gz PBRDFADIGJIXOV-WCBMZHEXSA-N 0 3 264.347 -1.071 20 0 CAADHN CO[C@H]1COCC[C@H]1N(C)S(=O)(=O)N1CCNCC1 ZINC000923672916 656814032 /nfs/dbraw/zinc/81/40/32/656814032.db2.gz CZLFHLHXSSWGCG-MNOVXSKESA-N 0 3 293.389 -1.128 20 0 CAADHN CC(=O)N1C[C@@H]2CN(S(=O)(=O)C3CNC3)C[C@@H]2C1 ZINC000923673597 656814134 /nfs/dbraw/zinc/81/41/34/656814134.db2.gz HBNXLYISCWRMHW-AOOOYVTPSA-N 0 3 273.358 -1.302 20 0 CAADHN CC[C@@H](CN1CCOCC1)NS(=O)(=O)C1CNC1 ZINC000923677510 656814259 /nfs/dbraw/zinc/81/42/59/656814259.db2.gz WGJNFEXBOKWZSE-JTQLQIEISA-N 0 3 277.390 -1.012 20 0 CAADHN COC(=O)[C@@H]1[C@H](CNS(=O)(=O)C2CNC2)C1(F)F ZINC000923672843 656814275 /nfs/dbraw/zinc/81/42/75/656814275.db2.gz ACJZMPGJIVICBL-BQBZGAKWSA-N 0 3 284.284 -1.068 20 0 CAADHN CC[C@H]1COCCN1CCNS(=O)(=O)C1CNC1 ZINC000923670472 656814315 /nfs/dbraw/zinc/81/43/15/656814315.db2.gz DXAHJNIOTMEPPM-JTQLQIEISA-N 0 3 277.390 -1.012 20 0 CAADHN O=C1NCC[C@@H]2CCCN(S(=O)(=O)C3CNC3)[C@@H]12 ZINC000923675284 656814380 /nfs/dbraw/zinc/81/43/80/656814380.db2.gz RISQJYOQGUCXBK-WCBMZHEXSA-N 0 3 273.358 -1.112 20 0 CAADHN Cn1nnnc1C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923669815 656814416 /nfs/dbraw/zinc/81/44/16/656814416.db2.gz DAEGGKXMKXZDSR-UHFFFAOYSA-N 0 3 286.361 -1.309 20 0 CAADHN CN(C(=O)CN1C(=O)CNC1=O)C1CCN(CCO)CC1 ZINC001006376734 656814887 /nfs/dbraw/zinc/81/48/87/656814887.db2.gz FPJCMEITURKUIX-UHFFFAOYSA-N 0 3 298.343 -1.547 20 0 CAADHN C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCNCCNCC1 ZINC000923692980 656815998 /nfs/dbraw/zinc/81/59/98/656815998.db2.gz HMUPPAAJJYYPTJ-WDEREUQCSA-N 0 3 277.390 -1.012 20 0 CAADHN C[C@H]1OCC[C@H]1S(=O)(=O)N1CCNCCNCC1 ZINC000923692970 656816061 /nfs/dbraw/zinc/81/60/61/656816061.db2.gz HMUPPAAJJYYPTJ-GHMZBOCLSA-N 0 3 277.390 -1.012 20 0 CAADHN C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCNCCNCC1 ZINC000923692330 656816224 /nfs/dbraw/zinc/81/62/24/656816224.db2.gz OAWWLSRXFFJHQX-SNVBAGLBSA-N 0 3 292.405 -1.712 20 0 CAADHN O=C1NCC2(CCN(S(=O)(=O)C3CNC3)CC2)O1 ZINC000923728089 656816997 /nfs/dbraw/zinc/81/69/97/656816997.db2.gz BZUHRRDGWRHRMW-UHFFFAOYSA-N 0 3 275.330 -1.138 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(Cc2nnnn2C2CC2)C1=O ZINC000924723982 656817837 /nfs/dbraw/zinc/81/78/37/656817837.db2.gz QFZJGXIKUVSKOA-MRVPVSSYSA-N 0 3 279.304 -1.010 20 0 CAADHN CC(C)N(C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926285823 656820988 /nfs/dbraw/zinc/82/09/88/656820988.db2.gz VXNQXDHCKWEHBJ-UHFFFAOYSA-N 0 3 256.350 -1.125 20 0 CAADHN CO[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H](O)CN2C)N(C)C1 ZINC000924982854 656818095 /nfs/dbraw/zinc/81/80/95/656818095.db2.gz YRXCCENYIKYENV-WYUUTHIRSA-N 0 3 271.361 -1.113 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC000924845697 656818126 /nfs/dbraw/zinc/81/81/26/656818126.db2.gz HQTAEZVIFDGLAI-SECBINFHSA-N 0 3 284.316 -1.673 20 0 CAADHN CNC(=O)C[C@@H](C)N1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924914883 656818140 /nfs/dbraw/zinc/81/81/40/656818140.db2.gz KRUQMRMTKGMXLY-SFYZADRCSA-N 0 3 256.306 -1.007 20 0 CAADHN COC(=O)N1CC(N2C(=O)N[C@@H](CN(C)C)C2=O)C1 ZINC000924765254 656818378 /nfs/dbraw/zinc/81/83/78/656818378.db2.gz LVXKWDMWIUBETG-QMMMGPOBSA-N 0 3 270.289 -1.081 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N([C@@H]2CCC(=O)N(C)C2=O)C1=O ZINC000924951876 656818498 /nfs/dbraw/zinc/81/84/98/656818498.db2.gz STEILSQUESFVPD-JGVFFNPUSA-N 0 3 282.300 -1.384 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(Cc2nnnn2C2CC2)C1=O ZINC000924723990 656818452 /nfs/dbraw/zinc/81/84/52/656818452.db2.gz QFZJGXIKUVSKOA-QMMMGPOBSA-N 0 3 279.304 -1.010 20 0 CAADHN CN(C)C[C@H]1NC(=O)N([C@H]2CCN(C)C2=O)C1=O ZINC000924626804 656818490 /nfs/dbraw/zinc/81/84/90/656818490.db2.gz XUUVLVIHOXOYSC-SFYZADRCSA-N 0 3 254.290 -1.301 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(Cc2nc(N(C)C)n[nH]2)C1=O ZINC000925429656 656819662 /nfs/dbraw/zinc/81/96/62/656819662.db2.gz OEHYYFBEAAEJMS-SSDOTTSWSA-N 0 3 281.320 -1.147 20 0 CAADHN C[C@H]1[C@H](NC(=O)N2CC(S(N)(=O)=O)C2)CCN1C ZINC000925341724 656819746 /nfs/dbraw/zinc/81/97/46/656819746.db2.gz IKQGLEHTLWVBNR-IONNQARKSA-N 0 3 276.362 -1.239 20 0 CAADHN C[C@H]1[C@@H](NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CCN1C ZINC000925344100 656819827 /nfs/dbraw/zinc/81/98/27/656819827.db2.gz YCVXIGSKSTUAHV-QEYWKRMJSA-N 0 3 280.328 -1.007 20 0 CAADHN C[C@H]1[C@H](NC(=O)N2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)CCN1C ZINC000925344097 656820034 /nfs/dbraw/zinc/82/00/34/656820034.db2.gz YCVXIGSKSTUAHV-AXTSPUMRSA-N 0 3 280.328 -1.007 20 0 CAADHN CC1(C)CNC(=O)[C@H]1NCCN1C(=O)CNC1=O ZINC000926163878 656820455 /nfs/dbraw/zinc/82/04/55/656820455.db2.gz ZIYSDIKYOYZHEV-MRVPVSSYSA-N 0 3 254.290 -1.348 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CCO1 ZINC000926292314 656820583 /nfs/dbraw/zinc/82/05/83/656820583.db2.gz ZJVKAYCXWIKMGO-LLVKDONJSA-N 0 3 284.360 -1.745 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)C[C@H](C)O1 ZINC000926281369 656820680 /nfs/dbraw/zinc/82/06/80/656820680.db2.gz OCOCOSSXQKVYSP-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H]1CN(C(=O)C(=O)N2CCNCCNCC2)CCO1 ZINC000926292315 656820873 /nfs/dbraw/zinc/82/08/73/656820873.db2.gz ZJVKAYCXWIKMGO-NSHDSACASA-N 0 3 284.360 -1.745 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCNC(=O)C1 ZINC000926280215 656820980 /nfs/dbraw/zinc/82/09/80/656820980.db2.gz DHKINSPAICEEFA-UHFFFAOYSA-N 0 3 283.332 -3.034 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCC[C@@H](O)C1 ZINC000926286205 656821032 /nfs/dbraw/zinc/82/10/32/656821032.db2.gz YRICAGVXFIASJE-LLVKDONJSA-N 0 3 284.360 -2.009 20 0 CAADHN C[C@]1(O)CCCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC000926342670 656821375 /nfs/dbraw/zinc/82/13/75/656821375.db2.gz AVOHWEXMRZOPLA-AWEZNQCLSA-N 0 3 298.387 -1.619 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCC[C@H]1CO ZINC000926323673 656821384 /nfs/dbraw/zinc/82/13/84/656821384.db2.gz ZJUHKQFJPBNOAB-NSHDSACASA-N 0 3 284.360 -2.009 20 0 CAADHN C[C@H]1OCCN(C(=O)C(=O)N2CCNCCNCC2)[C@H]1C ZINC000926335603 656821579 /nfs/dbraw/zinc/82/15/79/656821579.db2.gz AOGQQRITDFHTLN-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926327968 656821703 /nfs/dbraw/zinc/82/17/03/656821703.db2.gz LBVYFLOWNVHRIJ-JTQLQIEISA-N 0 3 297.359 -2.645 20 0 CAADHN C[C@@H]1CO[C@@H](C)CN1C(=O)C(=O)N1CCNCCNCC1 ZINC000926311740 656821723 /nfs/dbraw/zinc/82/17/23/656821723.db2.gz GNDWVUZXNXFWRG-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)[C@H](C)CO1 ZINC000926311748 656821945 /nfs/dbraw/zinc/82/19/45/656821945.db2.gz GNDWVUZXNXFWRG-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](O)CCN(C)C(=O)C(=O)N1CCNCCNCC1 ZINC000926341921 656822049 /nfs/dbraw/zinc/82/20/49/656822049.db2.gz QVNNTKYNOGFQGK-NSHDSACASA-N 0 3 286.376 -1.763 20 0 CAADHN CN1CCN(C(=O)C(=O)N2CCNCCNCC2)CC1 ZINC000926410461 656822543 /nfs/dbraw/zinc/82/25/43/656822543.db2.gz PDFVMESLIRLPEQ-UHFFFAOYSA-N 0 3 283.376 -2.218 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CCNCCNCC2)C[C@H]1CO ZINC000926400100 656822757 /nfs/dbraw/zinc/82/27/57/656822757.db2.gz XOORBQOGQYFXRS-NEPJUHHUSA-N 0 3 298.387 -1.905 20 0 CAADHN COC(=O)[C@@H](NS(=O)(=O)N1CCNCC1)C(C)C ZINC000035061684 656827903 /nfs/dbraw/zinc/82/79/03/656827903.db2.gz ZGGKWALYUMZYOX-VIFPVBQESA-N 0 3 279.362 -1.076 20 0 CAADHN C[C@@H]1[C@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CCN1C ZINC000928434103 656825202 /nfs/dbraw/zinc/82/52/02/656825202.db2.gz GUZSXJNQSPAKCU-YNVCDSSISA-N 0 3 270.329 -1.392 20 0 CAADHN C[C@H]1[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)CCN1C ZINC000928435401 656825345 /nfs/dbraw/zinc/82/53/45/656825345.db2.gz LZNZFFMZUBSFIT-VHSXEESVSA-N 0 3 292.405 -1.067 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)CCN1C ZINC000928435402 656825524 /nfs/dbraw/zinc/82/55/24/656825524.db2.gz LZNZFFMZUBSFIT-ZJUUUORDSA-N 0 3 292.405 -1.067 20 0 CAADHN C[C@@H]1[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CCN1C ZINC000928431905 656825617 /nfs/dbraw/zinc/82/56/17/656825617.db2.gz OUDIBMGQJYIEPP-IWSPIJDZSA-N 0 3 261.347 -1.113 20 0 CAADHN C[C@H]1[C@@H](NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)CCN1C ZINC000928434102 656825676 /nfs/dbraw/zinc/82/56/76/656825676.db2.gz GUZSXJNQSPAKCU-KXMNOHPDSA-N 0 3 270.329 -1.392 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CCN1C ZINC000928441682 656826328 /nfs/dbraw/zinc/82/63/28/656826328.db2.gz SZBBDFQYSQEYDE-MNOVXSKESA-N 0 3 268.361 -1.031 20 0 CAADHN C[C@H]1[C@@H](NC(=O)CN2CCN(C)C(=O)C2)CCN1C ZINC000928441688 656826346 /nfs/dbraw/zinc/82/63/46/656826346.db2.gz SZBBDFQYSQEYDE-QWRGUYRKSA-N 0 3 268.361 -1.031 20 0 CAADHN C[C@H]1[C@H](NC(=O)CN2CCN(C)C(=O)C2)CCN1C ZINC000928441696 656826515 /nfs/dbraw/zinc/82/65/15/656826515.db2.gz SZBBDFQYSQEYDE-WDEREUQCSA-N 0 3 268.361 -1.031 20 0 CAADHN C[C@H]1[C@H](NC(=O)Cn2ncn(C)c2=O)CCN1C ZINC000928441435 656827070 /nfs/dbraw/zinc/82/70/70/656827070.db2.gz ONHRNZRXLFAANW-DTWKUNHWSA-N 0 3 253.306 -1.209 20 0 CAADHN CN(C)CCN1C[C@H](C(=O)N2CCOCN2)CC1=O ZINC000928951091 656827957 /nfs/dbraw/zinc/82/79/57/656827957.db2.gz QJBBVARBRBLQQN-SNVBAGLBSA-N 0 3 270.333 -1.283 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000929512358 656831350 /nfs/dbraw/zinc/83/13/50/656831350.db2.gz ACBHOYTXSMDCPS-QWHCGFSZSA-N 0 3 285.388 -1.032 20 0 CAADHN C[C@H](CNC(=O)CN1CC[C@H](O)C1)N1CC[C@H](O)C1 ZINC000929519676 656831501 /nfs/dbraw/zinc/83/15/01/656831501.db2.gz CYDNUYMLUYDLKX-WOPDTQHZSA-N 0 3 271.361 -1.376 20 0 CAADHN C[C@@H](O)[C@@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000929512357 656831560 /nfs/dbraw/zinc/83/15/60/656831560.db2.gz ACBHOYTXSMDCPS-OLZOCXBDSA-N 0 3 285.388 -1.032 20 0 CAADHN C[C@H](O)[C@@H](O)CN(CCO)CCN1CCOCC1 ZINC000929781090 656832106 /nfs/dbraw/zinc/83/21/06/656832106.db2.gz OJVZDJQUSQQZKH-RYUDHWBXSA-N 0 3 262.350 -1.645 20 0 CAADHN C[C@H](O)[C@H](O)CN(C)C[C@@H](O)CN1CCOCC1 ZINC000929814898 656832324 /nfs/dbraw/zinc/83/23/24/656832324.db2.gz XDIMHZFLEMITLB-QJPTWQEYSA-N 0 3 262.350 -1.647 20 0 CAADHN CN(C[C@@H](O)CN1CCOCC1)C[C@@H](O)C1(O)CCC1 ZINC000929813729 656832662 /nfs/dbraw/zinc/83/26/62/656832662.db2.gz QNAPTKQJRIRHRD-CHWSQXEVSA-N 0 3 288.388 -1.113 20 0 CAADHN C[C@H](O)[C@@H](O)CN(C)C[C@@H](O)CN1CCOCC1 ZINC000929814904 656832730 /nfs/dbraw/zinc/83/27/30/656832730.db2.gz XDIMHZFLEMITLB-TUAOUCFPSA-N 0 3 262.350 -1.647 20 0 CAADHN OCCN(CCN1CCOCC1)C[C@@H](O)C1(O)CCC1 ZINC000929776916 656832965 /nfs/dbraw/zinc/83/29/65/656832965.db2.gz AWPVVXCWHBXXJB-CYBMUJFWSA-N 0 3 288.388 -1.111 20 0 CAADHN C[C@H](O)[C@H](O)CN(C)C[C@H](O)CN1CCOCC1 ZINC000929814899 656832995 /nfs/dbraw/zinc/83/29/95/656832995.db2.gz XDIMHZFLEMITLB-SDDRHHMPSA-N 0 3 262.350 -1.647 20 0 CAADHN COCCN(C)CCNC(=O)C(=O)NC[C@H]1CCN1C ZINC000929894652 656833485 /nfs/dbraw/zinc/83/34/85/656833485.db2.gz LFLXTGKDRJNYBO-LLVKDONJSA-N 0 3 286.376 -1.499 20 0 CAADHN CN(C[C@H](O)C[C@]1(O)CCOC1)CC(C)(CO)CO ZINC000929858480 656833579 /nfs/dbraw/zinc/83/35/79/656833579.db2.gz IRXVJCYWYINJKU-DGCLKSJQSA-N 0 3 277.361 -1.189 20 0 CAADHN CN(C[C@H](O)C[C@@]1(O)CCOC1)CC(C)(CO)CO ZINC000929858482 656834146 /nfs/dbraw/zinc/83/41/46/656834146.db2.gz IRXVJCYWYINJKU-YPMHNXCESA-N 0 3 277.361 -1.189 20 0 CAADHN CN(C[C@@H](O)C1(O)CCOCC1)CC(C)(CO)CO ZINC000929857694 656834292 /nfs/dbraw/zinc/83/42/92/656834292.db2.gz VFGCJWNRBKDYQM-LLVKDONJSA-N 0 3 277.361 -1.189 20 0 CAADHN CC[C@@H](C)[C@H]1CN(C[C@@H](O)CO)CCN1C[C@@H](O)CO ZINC000930079704 656836001 /nfs/dbraw/zinc/83/60/01/656836001.db2.gz IINNYVXBAIYDJT-AAVRWANBSA-N 0 3 290.404 -1.275 20 0 CAADHN C[C@H](O)[C@H](O)CN1C[C@@H](C)N(C[C@H](O)[C@H](C)O)C[C@@H]1C ZINC000930070766 656836439 /nfs/dbraw/zinc/83/64/39/656836439.db2.gz WHSJXORQANPUTB-JAYDOHCTSA-N 0 3 290.404 -1.136 20 0 CAADHN C[C@H](O)[C@H](O)CN1C[C@H](C)N(C[C@@H](O)[C@H](C)O)C[C@H]1C ZINC000930070769 656836597 /nfs/dbraw/zinc/83/65/97/656836597.db2.gz WHSJXORQANPUTB-XNBXPENISA-N 0 3 290.404 -1.136 20 0 CAADHN C[C@@H](O)[C@H](O)CN1C[C@H](C)N(C[C@@H](O)[C@H](C)O)C[C@H]1C ZINC000930070767 656836683 /nfs/dbraw/zinc/83/66/83/656836683.db2.gz WHSJXORQANPUTB-QQOHENMQSA-N 0 3 290.404 -1.136 20 0 CAADHN Cc1nc(CN2CCN(C[C@H](O)[C@@H](C)O)CC2)n[nH]1 ZINC000930072407 656836764 /nfs/dbraw/zinc/83/67/64/656836764.db2.gz CNDJAAPVJWSJDX-KOLCDFICSA-N 0 3 269.349 -1.028 20 0 CAADHN COC(=O)CCN1CCN(C[C@@H](O)CO)[C@H](C)C1 ZINC000930237381 656837238 /nfs/dbraw/zinc/83/72/38/656837238.db2.gz SXCLXADMKWTRQU-GHMZBOCLSA-N 0 3 260.334 -1.091 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000930448605 656838342 /nfs/dbraw/zinc/83/83/42/656838342.db2.gz GQOQPNLTZMBWNR-GXSJLCMTSA-N 0 3 280.390 -1.011 20 0 CAADHN C[C@@H](O)[C@@H](O)CN1CCC(CNS(C)(=O)=O)CC1 ZINC000930448607 656839121 /nfs/dbraw/zinc/83/91/21/656839121.db2.gz GQOQPNLTZMBWNR-KOLCDFICSA-N 0 3 280.390 -1.011 20 0 CAADHN CCOC(=O)[C@H]1CN(C[C@H](O)CO)CC12COC2 ZINC000930597835 656840221 /nfs/dbraw/zinc/84/02/21/656840221.db2.gz MXKSHMZAEGSFBF-VHSXEESVSA-N 0 3 259.302 -1.149 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN(C[C@@H](O)[C@@H](C)O)C1 ZINC000930713218 656840643 /nfs/dbraw/zinc/84/06/43/656840643.db2.gz DDBXSHYNYSKUIB-GMTAPVOTSA-N 0 3 260.334 -1.235 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN(C[C@H](O)[C@@H](C)O)C1 ZINC000930713221 656840994 /nfs/dbraw/zinc/84/09/94/656840994.db2.gz DDBXSHYNYSKUIB-MXWKQRLJSA-N 0 3 260.334 -1.235 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN(C[C@@H](O)[C@H](C)O)C1 ZINC000930713219 656841028 /nfs/dbraw/zinc/84/10/28/656841028.db2.gz DDBXSHYNYSKUIB-HBNTYKKESA-N 0 3 260.334 -1.235 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC[C@H](O)C1(O)CCOCC1 ZINC000930703925 656841055 /nfs/dbraw/zinc/84/10/55/656841055.db2.gz HAIXSAYEEITHJR-AXFHLTTASA-N 0 3 261.318 -1.108 20 0 CAADHN CO[C@@H]1COC[C@@H]1NC[C@H](O)C[C@@]1(O)CCOC1 ZINC000930705177 656841339 /nfs/dbraw/zinc/84/13/39/656841339.db2.gz RQISZEOBGDUCNV-KXNHARMFSA-N 0 3 261.318 -1.108 20 0 CAADHN CC1(C(N)=O)CN(C[C@@H](O)C2(O)CCOCC2)C1 ZINC000930808478 656841949 /nfs/dbraw/zinc/84/19/49/656841949.db2.gz ARVCLRRDOKCWJQ-SECBINFHSA-N 0 3 258.318 -1.304 20 0 CAADHN CON1CC[C@H](N2CCN3C[C@H](O)C[C@H]3C2)C1=O ZINC000930887666 656842200 /nfs/dbraw/zinc/84/22/00/656842200.db2.gz FPXNFHUTDQBIKZ-AXFHLTTASA-N 0 3 255.318 -1.101 20 0 CAADHN C[C@@H](O)[C@@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000930847414 656842216 /nfs/dbraw/zinc/84/22/16/656842216.db2.gz HKOUJJWDHIVOEH-MNOVXSKESA-N 0 3 259.350 -1.566 20 0 CAADHN C[C@H](O)[C@@H](O)CN1CCN(Cc2nnc[nH]2)CC1 ZINC000930859377 656842498 /nfs/dbraw/zinc/84/24/98/656842498.db2.gz OOLXAANXKBLKFY-UWVGGRQHSA-N 0 3 255.322 -1.336 20 0 CAADHN CON1CC[C@@H](N2CCN3C[C@H](O)C[C@H]3C2)C1=O ZINC000930887668 656842576 /nfs/dbraw/zinc/84/25/76/656842576.db2.gz FPXNFHUTDQBIKZ-HBNTYKKESA-N 0 3 255.318 -1.101 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCN(C[C@H](O)[C@H](C)O)[C@H](C)[C@H]1C ZINC000931071111 656843021 /nfs/dbraw/zinc/84/30/21/656843021.db2.gz BRYKCIPLFKYEOT-WCQYUDONSA-N 0 3 290.404 -1.136 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCN(C[C@H](O)[C@H](C)O)[C@@H](C)[C@@H]1C ZINC000931071104 656843594 /nfs/dbraw/zinc/84/35/94/656843594.db2.gz BRYKCIPLFKYEOT-LQSBQDLSSA-N 0 3 290.404 -1.136 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCN(C[C@H](O)[C@H](C)O)[C@@H](C)[C@H]1C ZINC000931071113 656843668 /nfs/dbraw/zinc/84/36/68/656843668.db2.gz BRYKCIPLFKYEOT-WHCZJHEKSA-N 0 3 290.404 -1.136 20 0 CAADHN CN1CCN(CCC(=O)N2CCOCC2)C[C@@H]1CO ZINC000931411613 656845219 /nfs/dbraw/zinc/84/52/19/656845219.db2.gz USWFTCBRWZNUMM-GFCCVEGCSA-N 0 3 271.361 -1.156 20 0 CAADHN CNS(=O)(=O)C[C@@H]1CCCN(C[C@@H](O)[C@H](C)O)C1 ZINC000931338428 656846173 /nfs/dbraw/zinc/84/61/73/656846173.db2.gz QSTZCMYOQWMAPP-HBNTYKKESA-N 0 3 280.390 -1.011 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CCC(OC)(OC)[C@H](O)C1 ZINC000931633168 656846895 /nfs/dbraw/zinc/84/68/95/656846895.db2.gz GNTMBKZXVNCMAM-KOLCDFICSA-N 0 3 277.317 -1.034 20 0 CAADHN COCCN(C)CCNC(=O)C[C@H]1CC(=O)NC1=O ZINC000931627157 656846902 /nfs/dbraw/zinc/84/69/02/656846902.db2.gz LLHZDYINQNYRAK-VIFPVBQESA-N 0 3 271.317 -1.266 20 0 CAADHN COCCN(C)CCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC000931627156 656847400 /nfs/dbraw/zinc/84/74/00/656847400.db2.gz LLHZDYINQNYRAK-SECBINFHSA-N 0 3 271.317 -1.266 20 0 CAADHN COC(=O)[C@@](C)(O)CN1CCC(OC)(OC)[C@@H](O)C1 ZINC000931633170 656847456 /nfs/dbraw/zinc/84/74/56/656847456.db2.gz GNTMBKZXVNCMAM-ONGXEEELSA-N 0 3 277.317 -1.034 20 0 CAADHN C[C@H](CNC(=O)CN1C[C@@H]2C[C@]2(O)C1)N1C[C@H]2C[C@@]2(O)C1 ZINC000931697300 656848220 /nfs/dbraw/zinc/84/82/20/656848220.db2.gz GTCFRPCSAYPCKC-FMKNKJFCSA-N 0 3 295.383 -1.376 20 0 CAADHN CN1CC(=O)N(CCN[C@@H]2C(=O)NCC2(C)C)C1=O ZINC000931655090 656848637 /nfs/dbraw/zinc/84/86/37/656848637.db2.gz IQQCMJHIBSUQJT-SECBINFHSA-N 0 3 268.317 -1.005 20 0 CAADHN CNC(=O)NC(=O)CCN[C@@H]1C(=O)NCC1(C)C ZINC000931658912 656848674 /nfs/dbraw/zinc/84/86/74/656848674.db2.gz NYZMXTGJNJKZQO-MRVPVSSYSA-N 0 3 256.306 -1.054 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000932393659 656853949 /nfs/dbraw/zinc/85/39/49/656853949.db2.gz DOCMKXCFPIDCHZ-UTUOFQBUSA-N 0 3 299.371 -1.074 20 0 CAADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1nnn(C)n1 ZINC000932253667 656854394 /nfs/dbraw/zinc/85/43/94/656854394.db2.gz MICOUXKGMGOXFV-QMMMGPOBSA-N 0 3 296.335 -1.206 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCO[C@@H]1CCOC1 ZINC000932860869 656855607 /nfs/dbraw/zinc/85/56/07/656855607.db2.gz SPAQQOIHDAJZNC-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCCO[C@H]1CCOC1 ZINC000932860870 656855656 /nfs/dbraw/zinc/85/56/56/656855656.db2.gz SPAQQOIHDAJZNC-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN Cn1nnnc1CN1CCN(C)CCN(C)CC1 ZINC000933995251 656858599 /nfs/dbraw/zinc/85/85/99/656858599.db2.gz BLAVWRWYNYBREK-UHFFFAOYSA-N 0 3 253.354 -1.111 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)CCN(C)C ZINC000934008714 656859418 /nfs/dbraw/zinc/85/94/18/656859418.db2.gz YPFQXQRYTOKVTR-VIFPVBQESA-N 0 3 283.336 -1.802 20 0 CAADHN CNC(=O)NC(=O)CN1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934251147 656859879 /nfs/dbraw/zinc/85/98/79/656859879.db2.gz AJZPZLCEXREULP-QWRGUYRKSA-N 0 3 284.360 -1.027 20 0 CAADHN COC(=O)CNC(=O)CN1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934254922 656860206 /nfs/dbraw/zinc/86/02/06/656860206.db2.gz FORSBQGAMAAQSC-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN CNC(=O)NC(=O)CN1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934251145 656860270 /nfs/dbraw/zinc/86/02/70/656860270.db2.gz AJZPZLCEXREULP-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN CCN(CCO)CCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC000935433612 656863212 /nfs/dbraw/zinc/86/32/12/656863212.db2.gz ZIPYZSKQFBLRLT-GFCCVEGCSA-N 0 3 287.360 -1.336 20 0 CAADHN CCN(CCO)CCNC(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC000935433613 656863496 /nfs/dbraw/zinc/86/34/96/656863496.db2.gz ZIPYZSKQFBLRLT-LBPRGKRZSA-N 0 3 287.360 -1.336 20 0 CAADHN C[C@H](CN1CCOCC1)NS(=O)(=O)N1CCNCC1 ZINC000040860678 656866104 /nfs/dbraw/zinc/86/61/04/656866104.db2.gz NYLCGTUNLBIPLT-LLVKDONJSA-N 0 3 292.405 -1.553 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N[C@@H](CO)CN2CCCC2)C1 ZINC000935986876 656866831 /nfs/dbraw/zinc/86/68/31/656866831.db2.gz WRXIYDDJCDKVTL-CHWSQXEVSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)c2nnn(C)n2)CCN1CCO ZINC000947629743 656869314 /nfs/dbraw/zinc/86/93/14/656869314.db2.gz PAAYPCQJWUKERC-BDAKNGLRSA-N 0 3 268.321 -1.215 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)c2ncn[nH]2)CCN1CC(N)=O ZINC000947828868 656869784 /nfs/dbraw/zinc/86/97/84/656869784.db2.gz JNGYLWUKTMZVRY-SFYZADRCSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@@H]1C[C@@H](NC(=O)c2nc[nH]n2)CCN1CC(N)=O ZINC000947828868 656869788 /nfs/dbraw/zinc/86/97/88/656869788.db2.gz JNGYLWUKTMZVRY-SFYZADRCSA-N 0 3 266.305 -1.127 20 0 CAADHN C[C@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)CCN1CC(N)=O ZINC000947907779 656870390 /nfs/dbraw/zinc/87/03/90/656870390.db2.gz KJFCPVJROKAOIA-IUCAKERBSA-N 0 3 280.332 -1.198 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC1CCN(C(=O)C(N)=O)CC1 ZINC000948072466 656872005 /nfs/dbraw/zinc/87/20/05/656872005.db2.gz SYGTZVDQWUYLTQ-UHFFFAOYSA-N 0 3 293.327 -1.147 20 0 CAADHN O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCN(CCO)CC1 ZINC000949380306 656876905 /nfs/dbraw/zinc/87/69/05/656876905.db2.gz DTQBOPXGCZENCC-OWYJLGKBSA-N 0 3 295.383 -1.014 20 0 CAADHN O=C(Cc1c[nH]cn1)N1CCN([C@H]2CCNC2=O)CC1 ZINC000950808429 656884421 /nfs/dbraw/zinc/88/44/21/656884421.db2.gz UKNSFXSYIQZLEH-NSHDSACASA-N 0 3 277.328 -1.015 20 0 CAADHN NC(=O)CN1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000950808034 656884769 /nfs/dbraw/zinc/88/47/69/656884769.db2.gz LOBOFDXSHUVLSP-UHFFFAOYSA-N 0 3 251.290 -1.418 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000951853947 656891655 /nfs/dbraw/zinc/89/16/55/656891655.db2.gz MFKZATYFWGHALJ-VIFPVBQESA-N 0 3 293.327 -1.147 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@@H]2CCCN(C(=O)C(N)=O)C2)C1 ZINC000951855771 656892148 /nfs/dbraw/zinc/89/21/48/656892148.db2.gz CSDXFCCBAKUCMN-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CCC[C@H](NC(=O)C(N)=O)C2)C1 ZINC000952034903 656893501 /nfs/dbraw/zinc/89/35/01/656893501.db2.gz RYHQNHFTWDQKNK-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CC1CCN(CC(=O)N2CC(N(C)C(=O)C(N)=O)C2)CC1 ZINC000955158561 656899710 /nfs/dbraw/zinc/89/97/10/656899710.db2.gz OEWSIDIYXFSRET-UHFFFAOYSA-N 0 3 296.371 -1.127 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N(C)C1CN(C(=O)C(N)=O)C1 ZINC000955342322 656900850 /nfs/dbraw/zinc/90/08/50/656900850.db2.gz XACFJCJWMWHNCS-SECBINFHSA-N 0 3 282.344 -1.375 20 0 CAADHN O=C(Cc1ncn[nH]1)N1CCN(CCCO)CC1 ZINC000957134858 656918358 /nfs/dbraw/zinc/91/83/58/656918358.db2.gz KVYGWKADUSOSGB-UHFFFAOYSA-N 0 3 253.306 -1.126 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)C1CCOCC1 ZINC000957792685 656924575 /nfs/dbraw/zinc/92/45/75/656924575.db2.gz FCLANMGMNQWCSO-NEPJUHHUSA-N 0 3 272.345 -1.186 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cnccn1 ZINC000957838552 656925747 /nfs/dbraw/zinc/92/57/47/656925747.db2.gz PVWJSWRAJCTCSK-MWLCHTKSSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1ccc(=O)[nH]n1 ZINC000957847211 656927589 /nfs/dbraw/zinc/92/75/89/656927589.db2.gz OEMJBNIHCLVRPC-SCZZXKLOSA-N 0 3 282.300 -1.803 20 0 CAADHN Cc1nnsc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000957874125 656927670 /nfs/dbraw/zinc/92/76/70/656927670.db2.gz NANWBZBBNQVOSZ-IUCAKERBSA-N 0 3 286.357 -1.139 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)on1 ZINC000957859907 656927702 /nfs/dbraw/zinc/92/77/02/656927702.db2.gz WQZACDZBPRFQIH-VHSXEESVSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1nnsc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000957874122 656927827 /nfs/dbraw/zinc/92/78/27/656927827.db2.gz NANWBZBBNQVOSZ-BDAKNGLRSA-N 0 3 286.357 -1.139 20 0 CAADHN Cc1c(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cnn1C ZINC000957878249 656927897 /nfs/dbraw/zinc/92/78/97/656927897.db2.gz JGVNZTDXMLOQAJ-CMPLNLGQSA-N 0 3 282.344 -1.257 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cn1 ZINC000957865233 656929555 /nfs/dbraw/zinc/92/95/55/656929555.db2.gz YFOVLONYBRDCKC-GXSJLCMTSA-N 0 3 268.317 -1.565 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)no1 ZINC000957846605 656929621 /nfs/dbraw/zinc/92/96/21/656929621.db2.gz IJBBVYBKKJILRY-ONGXEEELSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)on1 ZINC000957859905 656929905 /nfs/dbraw/zinc/92/99/05/656929905.db2.gz WQZACDZBPRFQIH-NXEZZACHSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)nn1C ZINC000957889639 656930261 /nfs/dbraw/zinc/93/02/61/656930261.db2.gz BWOKOPQKSDKKHT-ZYHUDNBSSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1ccn[nH]1 ZINC000957883477 656930499 /nfs/dbraw/zinc/93/04/99/656930499.db2.gz UVTFLEZFNQAQNS-PSASIEDQSA-N 0 3 254.290 -1.576 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cn[nH]c1 ZINC000957890693 656930549 /nfs/dbraw/zinc/93/05/49/656930549.db2.gz QVICJKMWDRATOQ-ZJUUUORDSA-N 0 3 254.290 -1.576 20 0 CAADHN Cn1nccc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000957905409 656930619 /nfs/dbraw/zinc/93/06/19/656930619.db2.gz HKBIYQKFWWICJM-ONGXEEELSA-N 0 3 268.317 -1.565 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cnns1 ZINC000957886717 656931088 /nfs/dbraw/zinc/93/10/88/656931088.db2.gz MSMSQSZMHQMPDJ-YUMQZZPRSA-N 0 3 272.330 -1.447 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cn[nH]c1 ZINC000957890690 656931139 /nfs/dbraw/zinc/93/11/39/656931139.db2.gz QVICJKMWDRATOQ-NXEZZACHSA-N 0 3 254.290 -1.576 20 0 CAADHN Cn1nccc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000957905407 656931188 /nfs/dbraw/zinc/93/11/88/656931188.db2.gz HKBIYQKFWWICJM-KOLCDFICSA-N 0 3 268.317 -1.565 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1ccn[nH]1 ZINC000957883484 656931398 /nfs/dbraw/zinc/93/13/98/656931398.db2.gz UVTFLEZFNQAQNS-WCBMZHEXSA-N 0 3 254.290 -1.576 20 0 CAADHN Cc1ncncc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000957906051 656931695 /nfs/dbraw/zinc/93/16/95/656931695.db2.gz OVCNKBNLSDMKDL-JQWIXIFHSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@H]1CN(CCCO)C[C@H]1O)c1cnns1 ZINC000957887437 656931830 /nfs/dbraw/zinc/93/18/30/656931830.db2.gz YBQXCJHQSAHAPQ-DTWKUNHWSA-N 0 3 286.357 -1.057 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cn[nH]c1 ZINC000957890692 656931883 /nfs/dbraw/zinc/93/18/83/656931883.db2.gz QVICJKMWDRATOQ-VHSXEESVSA-N 0 3 254.290 -1.576 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cnsn1 ZINC000957901788 656931908 /nfs/dbraw/zinc/93/19/08/656931908.db2.gz HQDRRZBHOPKTJQ-IONNQARKSA-N 0 3 272.330 -1.447 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cnsn1 ZINC000957901786 656932157 /nfs/dbraw/zinc/93/21/57/656932157.db2.gz HQDRRZBHOPKTJQ-APPZFPTMSA-N 0 3 272.330 -1.447 20 0 CAADHN O=C(NC[C@@H]1CN(CCCO)C[C@H]1O)c1cnns1 ZINC000957887439 656932218 /nfs/dbraw/zinc/93/22/18/656932218.db2.gz YBQXCJHQSAHAPQ-RKDXNWHRSA-N 0 3 286.357 -1.057 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1ccon1 ZINC000957902119 656932379 /nfs/dbraw/zinc/93/23/79/656932379.db2.gz MOVJGBYKMYVQRN-SCZZXKLOSA-N 0 3 255.274 -1.311 20 0 CAADHN Cn1nccc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000957905406 656932516 /nfs/dbraw/zinc/93/25/16/656932516.db2.gz HKBIYQKFWWICJM-GXSJLCMTSA-N 0 3 268.317 -1.565 20 0 CAADHN Cc1ocnc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000957890167 656932632 /nfs/dbraw/zinc/93/26/32/656932632.db2.gz JKALWILKABCNII-UWVGGRQHSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)nn1C ZINC000957889631 656932668 /nfs/dbraw/zinc/93/26/68/656932668.db2.gz BWOKOPQKSDKKHT-CMPLNLGQSA-N 0 3 282.344 -1.257 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n(C)n1 ZINC000957915167 656933032 /nfs/dbraw/zinc/93/30/32/656933032.db2.gz RQZFQWZRHHFPOE-PWSUYJOCSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cocn1 ZINC000957915822 656934114 /nfs/dbraw/zinc/93/41/14/656934114.db2.gz YRFWTYCNVDRMFS-SCZZXKLOSA-N 0 3 255.274 -1.311 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000957936581 656934777 /nfs/dbraw/zinc/93/47/77/656934777.db2.gz XIQJDLCUBAETMV-CMPLNLGQSA-N 0 3 282.344 -1.257 20 0 CAADHN Cc1ncncc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000957906053 656935048 /nfs/dbraw/zinc/93/50/48/656935048.db2.gz OVCNKBNLSDMKDL-ZYHUDNBSSA-N 0 3 280.328 -1.200 20 0 CAADHN Cc1nn(C)cc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000957936584 656935645 /nfs/dbraw/zinc/93/56/45/656935645.db2.gz XIQJDLCUBAETMV-ZYHUDNBSSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cccc(=O)[nH]1 ZINC000957960415 656935826 /nfs/dbraw/zinc/93/58/26/656935826.db2.gz DWIOOCIUUWBAQI-GXSJLCMTSA-N 0 3 281.312 -1.198 20 0 CAADHN Nc1nccnc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000957939591 656936183 /nfs/dbraw/zinc/93/61/83/656936183.db2.gz LFJYDGNCWFLDJV-DTWKUNHWSA-N 0 3 281.316 -1.926 20 0 CAADHN Cc1c(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)nnn1C ZINC000957953227 656936480 /nfs/dbraw/zinc/93/64/80/656936480.db2.gz KCVOWSYGSXQLIX-ZJUUUORDSA-N 0 3 283.332 -1.862 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cccc(=O)[nH]1 ZINC000957960417 656937213 /nfs/dbraw/zinc/93/72/13/656937213.db2.gz DWIOOCIUUWBAQI-MWLCHTKSSA-N 0 3 281.312 -1.198 20 0 CAADHN Cc1c(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)nnn1C ZINC000957953226 656937366 /nfs/dbraw/zinc/93/73/66/656937366.db2.gz KCVOWSYGSXQLIX-VHSXEESVSA-N 0 3 283.332 -1.862 20 0 CAADHN Cc1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)ncn1 ZINC000957987694 656938103 /nfs/dbraw/zinc/93/81/03/656938103.db2.gz XVNYEGVJCIYCPU-ZYHUDNBSSA-N 0 3 280.328 -1.200 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000957966901 656938578 /nfs/dbraw/zinc/93/85/78/656938578.db2.gz WDJWZAYWYUDCSF-NXEZZACHSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1ncoc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000957966904 656938954 /nfs/dbraw/zinc/93/89/54/656938954.db2.gz WDJWZAYWYUDCSF-ZJUUUORDSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1ncoc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000957966903 656939163 /nfs/dbraw/zinc/93/91/63/656939163.db2.gz WDJWZAYWYUDCSF-VHSXEESVSA-N 0 3 269.301 -1.002 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)c1N ZINC000957995128 656940600 /nfs/dbraw/zinc/94/06/00/656940600.db2.gz LCWBMOSEXUSXJM-PSASIEDQSA-N 0 3 283.332 -1.983 20 0 CAADHN Cn1oc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cc1=O ZINC000958000094 656940797 /nfs/dbraw/zinc/94/07/97/656940797.db2.gz SJRHQSYQMWEEJZ-BDAKNGLRSA-N 0 3 285.300 -2.007 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)C1=CCOCC1 ZINC000957992817 656941053 /nfs/dbraw/zinc/94/10/53/656941053.db2.gz ZINRGJPCHHVLSC-NEPJUHHUSA-N 0 3 270.329 -1.266 20 0 CAADHN Cc1nc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)co1 ZINC000958004133 656941326 /nfs/dbraw/zinc/94/13/26/656941326.db2.gz DINPMNDQJUMXMT-KOLCDFICSA-N 0 3 269.301 -1.002 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958025498 656942429 /nfs/dbraw/zinc/94/24/29/656942429.db2.gz SYHHSWHLSXHUGZ-RKDXNWHRSA-N 0 3 269.305 -2.170 20 0 CAADHN Cc1c[nH]nc1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958048233 656942988 /nfs/dbraw/zinc/94/29/88/656942988.db2.gz ZYCVDJIHJYFQOM-ZJUUUORDSA-N 0 3 268.317 -1.267 20 0 CAADHN Cn1cnc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958025496 656943178 /nfs/dbraw/zinc/94/31/78/656943178.db2.gz SYHHSWHLSXHUGZ-DTWKUNHWSA-N 0 3 269.305 -2.170 20 0 CAADHN Cc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)nn1 ZINC000958062509 656943248 /nfs/dbraw/zinc/94/32/48/656943248.db2.gz GNXXUNQEWAJJOF-JQWIXIFHSA-N 0 3 280.328 -1.200 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H]2CN(CCCO)C[C@@H]2O)n1 ZINC000958025026 656943397 /nfs/dbraw/zinc/94/33/97/656943397.db2.gz MHKALIZIZANDQG-ZJUUUORDSA-N 0 3 283.332 -1.780 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2cn(C)nn2)[C@H](O)C1 ZINC000958020031 656943482 /nfs/dbraw/zinc/94/34/82/656943482.db2.gz IYRLFDFWLMNTQA-MWLCHTKSSA-N 0 3 283.332 -1.516 20 0 CAADHN Cc1ccnc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958031140 656943686 /nfs/dbraw/zinc/94/36/86/656943686.db2.gz NUHCPUREJSFJIM-GHMZBOCLSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1ncc[nH]1 ZINC000958056526 656943890 /nfs/dbraw/zinc/94/38/90/656943890.db2.gz OUVXKEANPVMJKT-DTWKUNHWSA-N 0 3 254.290 -1.576 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1ncc[nH]1 ZINC000958056525 656944517 /nfs/dbraw/zinc/94/45/17/656944517.db2.gz OUVXKEANPVMJKT-BDAKNGLRSA-N 0 3 254.290 -1.576 20 0 CAADHN Cc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)nn1 ZINC000958062508 656944623 /nfs/dbraw/zinc/94/46/23/656944623.db2.gz GNXXUNQEWAJJOF-CMPLNLGQSA-N 0 3 280.328 -1.200 20 0 CAADHN Cc1ccnc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958031144 656944908 /nfs/dbraw/zinc/94/49/08/656944908.db2.gz NUHCPUREJSFJIM-WDEREUQCSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cnn2c1CCC2 ZINC000958122370 656945186 /nfs/dbraw/zinc/94/51/86/656945186.db2.gz UYDLTLIQWNVRAU-GXFFZTMASA-N 0 3 294.355 -1.156 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1cc2n(n1)CCO2 ZINC000958134122 656945261 /nfs/dbraw/zinc/94/52/61/656945261.db2.gz BNODHPCIDXDOJD-KOLCDFICSA-N 0 3 296.327 -1.710 20 0 CAADHN Cn1cnc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cc1=O ZINC000958149780 656945634 /nfs/dbraw/zinc/94/56/34/656945634.db2.gz WMRANOGVKPGXHU-ONGXEEELSA-N 0 3 296.327 -2.205 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1cc2n(n1)CCO2 ZINC000958134121 656945661 /nfs/dbraw/zinc/94/56/61/656945661.db2.gz BNODHPCIDXDOJD-GXSJLCMTSA-N 0 3 296.327 -1.710 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cc2n(n1)CCC2 ZINC000958126052 656945751 /nfs/dbraw/zinc/94/57/51/656945751.db2.gz GUNFGALKDRQKDY-ZWNOBZJWSA-N 0 3 294.355 -1.156 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)C1=COCCO1 ZINC000958138192 656945890 /nfs/dbraw/zinc/94/58/90/656945890.db2.gz GMRITPBREOMHGM-KLBPJQLPSA-N 0 3 293.323 -1.191 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1cc2n(n1)CCO2 ZINC000958134124 656945974 /nfs/dbraw/zinc/94/59/74/656945974.db2.gz BNODHPCIDXDOJD-ONGXEEELSA-N 0 3 296.327 -1.710 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cc2n(n1)CCO2 ZINC000958134123 656946495 /nfs/dbraw/zinc/94/64/95/656946495.db2.gz BNODHPCIDXDOJD-MWLCHTKSSA-N 0 3 296.327 -1.710 20 0 CAADHN Cc1cn(C)nc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958063578 656946655 /nfs/dbraw/zinc/94/66/55/656946655.db2.gz NVYPDABHPAVOAL-QWRGUYRKSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@@H]1C[N@H+](CCCO)C[C@@H]1O)c1cnc[n-]c1=O ZINC000958172426 656946975 /nfs/dbraw/zinc/94/69/75/656946975.db2.gz UVBMCKSJFXWOCV-KOLCDFICSA-N 0 3 296.327 -1.413 20 0 CAADHN O=C(NC[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnc[n-]c1=O ZINC000958172426 656946992 /nfs/dbraw/zinc/94/69/92/656946992.db2.gz UVBMCKSJFXWOCV-KOLCDFICSA-N 0 3 296.327 -1.413 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958165339 656947244 /nfs/dbraw/zinc/94/72/44/656947244.db2.gz UTNPFZPABWTDAE-RKDXNWHRSA-N 0 3 284.316 -1.561 20 0 CAADHN O=C(NC[C@H]1C[N@H+](CCO)C[C@H]1O)c1cnc[n-]c1=O ZINC000958172375 656947765 /nfs/dbraw/zinc/94/77/65/656947765.db2.gz TUHZVPMILYVWDK-WCBMZHEXSA-N 0 3 282.300 -1.803 20 0 CAADHN O=C(NC[C@H]1C[N@@H+](CCO)C[C@H]1O)c1cnc[n-]c1=O ZINC000958172375 656947772 /nfs/dbraw/zinc/94/77/72/656947772.db2.gz TUHZVPMILYVWDK-WCBMZHEXSA-N 0 3 282.300 -1.803 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)cn1 ZINC000958184857 656949057 /nfs/dbraw/zinc/94/90/57/656949057.db2.gz IHMTWOWYFUTQDT-KXNHARMFSA-N 0 3 289.339 -1.031 20 0 CAADHN Cn1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cc1=O ZINC000958183208 656949073 /nfs/dbraw/zinc/94/90/73/656949073.db2.gz MMYNDAHJKLUPKH-RYUDHWBXSA-N 0 3 295.339 -1.600 20 0 CAADHN O=C(NC[C@H]1C[N@H+](CCCO)C[C@@H]1O)c1cnc[n-]c1=O ZINC000958172428 656949202 /nfs/dbraw/zinc/94/92/02/656949202.db2.gz UVBMCKSJFXWOCV-ONGXEEELSA-N 0 3 296.327 -1.413 20 0 CAADHN O=C(NC[C@H]1C[N@@H+](CCCO)C[C@@H]1O)c1cnc[n-]c1=O ZINC000958172428 656949205 /nfs/dbraw/zinc/94/92/05/656949205.db2.gz UVBMCKSJFXWOCV-ONGXEEELSA-N 0 3 296.327 -1.413 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)cn1 ZINC000958184859 656949226 /nfs/dbraw/zinc/94/92/26/656949226.db2.gz IHMTWOWYFUTQDT-WHOHXGKFSA-N 0 3 289.339 -1.031 20 0 CAADHN Cn1cncc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958228626 656949927 /nfs/dbraw/zinc/94/99/27/656949927.db2.gz QQCHUJAMDCBELF-MWLCHTKSSA-N 0 3 268.317 -1.565 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1n[nH]c2c1CCC2 ZINC000958211133 656950175 /nfs/dbraw/zinc/95/01/75/656950175.db2.gz YTRZNDXZIOUOSX-BXKDBHETSA-N 0 3 294.355 -1.087 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)o1 ZINC000958240016 656951670 /nfs/dbraw/zinc/95/16/70/656951670.db2.gz XEFTVKMEGGQXOF-IUCAKERBSA-N 0 3 297.311 -1.607 20 0 CAADHN Cn1cncc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958228624 656951733 /nfs/dbraw/zinc/95/17/33/656951733.db2.gz QQCHUJAMDCBELF-GXSJLCMTSA-N 0 3 268.317 -1.565 20 0 CAADHN Cc1nnccc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958224622 656951898 /nfs/dbraw/zinc/95/18/98/656951898.db2.gz XIIWMDHXWNXEKX-ZYHUDNBSSA-N 0 3 280.328 -1.200 20 0 CAADHN O=C(NC[C@H]1CN(CCCO)C[C@H]1O)c1csnn1 ZINC000958289403 656952357 /nfs/dbraw/zinc/95/23/57/656952357.db2.gz VCVQIPTYYFOCOE-WCBMZHEXSA-N 0 3 286.357 -1.057 20 0 CAADHN Cn1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)ncc1=O ZINC000958272639 656952416 /nfs/dbraw/zinc/95/24/16/656952416.db2.gz MQMIMOGDPNDYGY-ONGXEEELSA-N 0 3 296.327 -2.205 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)co1 ZINC000958282066 656953571 /nfs/dbraw/zinc/95/35/71/656953571.db2.gz UVIWZIMBXFIXRP-NXEZZACHSA-N 0 3 297.311 -1.607 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)ncc1=O ZINC000958272638 656953681 /nfs/dbraw/zinc/95/36/81/656953681.db2.gz MQMIMOGDPNDYGY-MWLCHTKSSA-N 0 3 296.327 -2.205 20 0 CAADHN O=C(NC[C@@H]1CN(CCCO)C[C@@H]1O)c1csnn1 ZINC000958289402 656953734 /nfs/dbraw/zinc/95/37/34/656953734.db2.gz VCVQIPTYYFOCOE-SCZZXKLOSA-N 0 3 286.357 -1.057 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)co1 ZINC000958282068 656954240 /nfs/dbraw/zinc/95/42/40/656954240.db2.gz UVIWZIMBXFIXRP-VHSXEESVSA-N 0 3 297.311 -1.607 20 0 CAADHN Cn1c(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)c[nH]c1=O ZINC000958309402 656955009 /nfs/dbraw/zinc/95/50/09/656955009.db2.gz LFZOSPKAUNQPEG-SCZZXKLOSA-N 0 3 284.316 -1.860 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958309321 656955502 /nfs/dbraw/zinc/95/55/02/656955502.db2.gz JZJJQKSQNURFBI-GXSJLCMTSA-N 0 3 298.343 -1.557 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958309324 656955997 /nfs/dbraw/zinc/95/59/97/656955997.db2.gz JZJJQKSQNURFBI-ONGXEEELSA-N 0 3 298.343 -1.557 20 0 CAADHN Cn1c(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)c[nH]c1=O ZINC000958309404 656956138 /nfs/dbraw/zinc/95/61/38/656956138.db2.gz LFZOSPKAUNQPEG-WPRPVWTQSA-N 0 3 284.316 -1.860 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)c1cn[nH]c1 ZINC000958311749 656956228 /nfs/dbraw/zinc/95/62/28/656956228.db2.gz VEEJARHJLGDOCR-ZRUFSTJUSA-N 0 3 275.312 -1.042 20 0 CAADHN Cc1n[nH]cc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958309168 656956425 /nfs/dbraw/zinc/95/64/25/656956425.db2.gz HVMDKLWWDNIYFG-ONGXEEELSA-N 0 3 268.317 -1.267 20 0 CAADHN COc1nn(C)cc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958309323 656956502 /nfs/dbraw/zinc/95/65/02/656956502.db2.gz JZJJQKSQNURFBI-MWLCHTKSSA-N 0 3 298.343 -1.557 20 0 CAADHN Cc1cnn(C)c1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958320924 656958488 /nfs/dbraw/zinc/95/84/88/656958488.db2.gz RDWWZHDSRBCFHF-QWRGUYRKSA-N 0 3 282.344 -1.257 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC000958344364 656960392 /nfs/dbraw/zinc/96/03/92/656960392.db2.gz GVOCSTIFONQDEX-NXEZZACHSA-N 0 3 296.327 -1.495 20 0 CAADHN Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958344364 656960418 /nfs/dbraw/zinc/96/04/18/656960418.db2.gz GVOCSTIFONQDEX-NXEZZACHSA-N 0 3 296.327 -1.495 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1csc(=O)[nH]1 ZINC000958333706 656960615 /nfs/dbraw/zinc/96/06/15/656960615.db2.gz JDZJLDPLZYNAOV-CBAPKCEASA-N 0 3 287.341 -1.137 20 0 CAADHN Cn1nnc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958329474 656960642 /nfs/dbraw/zinc/96/06/42/656960642.db2.gz ZJZGMXNVBYHGAU-YUMQZZPRSA-N 0 3 270.293 -2.775 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000958326429 656960712 /nfs/dbraw/zinc/96/07/12/656960712.db2.gz UEIPEMBJWYGKPR-PREPNJAASA-N 0 3 270.329 -1.720 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC000958342622 656961137 /nfs/dbraw/zinc/96/11/37/656961137.db2.gz IWGALBPEBKBNPK-GMSGAONNSA-N 0 3 293.327 -1.291 20 0 CAADHN Cn1nnc(C(=O)NC[C@H]2CN(CCCO)C[C@@H]2O)n1 ZINC000958328880 656961510 /nfs/dbraw/zinc/96/15/10/656961510.db2.gz OMUZRCHXBCMPIO-IUCAKERBSA-N 0 3 284.320 -2.385 20 0 CAADHN Cc1nocc1C(=O)NC[C@@H]1CN(CCO)C[C@H]1O ZINC000958370423 656962992 /nfs/dbraw/zinc/96/29/92/656962992.db2.gz PUIIGGJICYUOMK-MWLCHTKSSA-N 0 3 269.301 -1.002 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1C ZINC000958348999 656963789 /nfs/dbraw/zinc/96/37/89/656963789.db2.gz CNMNLRUZTCLAIP-PWSUYJOCSA-N 0 3 282.344 -1.257 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC000958357720 656964427 /nfs/dbraw/zinc/96/44/27/656964427.db2.gz WSODNOPLUUEVOC-SCZZXKLOSA-N 0 3 282.300 -2.215 20 0 CAADHN COCCN1C[C@@H](CNC(=O)c2cn(C)c(=O)[nH]2)[C@H](O)C1 ZINC000958379405 656964854 /nfs/dbraw/zinc/96/48/54/656964854.db2.gz RIXWWPYYOYBEBM-MWLCHTKSSA-N 0 3 298.343 -1.205 20 0 CAADHN NC(=O)c1coc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)c1 ZINC000958405838 656965676 /nfs/dbraw/zinc/96/56/76/656965676.db2.gz WOPOOZMVVDIXFA-UWVGGRQHSA-N 0 3 297.311 -1.607 20 0 CAADHN NC(=O)c1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)[nH]1 ZINC000958409599 656965746 /nfs/dbraw/zinc/96/57/46/656965746.db2.gz VFTFJOPEVOSBPB-LDYMZIIASA-N 0 3 296.327 -1.872 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1ccnnc1 ZINC000958421866 656965869 /nfs/dbraw/zinc/96/58/69/656965869.db2.gz ASNNCCJKURVWRU-QWRGUYRKSA-N 0 3 266.301 -1.509 20 0 CAADHN NC(=O)c1coc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)c1 ZINC000958405840 656966023 /nfs/dbraw/zinc/96/60/23/656966023.db2.gz WOPOOZMVVDIXFA-ZJUUUORDSA-N 0 3 297.311 -1.607 20 0 CAADHN Nc1nccnc1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958415149 656966394 /nfs/dbraw/zinc/96/63/94/656966394.db2.gz PYUIIFYSHJZZKP-BRPSZJMVSA-N 0 3 263.301 -1.289 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1n[nH]cc1F ZINC000958384453 656966458 /nfs/dbraw/zinc/96/64/58/656966458.db2.gz HWULJFMYDRKJID-VXNVDRBHSA-N 0 3 272.280 -1.436 20 0 CAADHN COc1cncc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958464045 656967211 /nfs/dbraw/zinc/96/72/11/656967211.db2.gz SSRJXJNHGNAQRL-KOLCDFICSA-N 0 3 296.327 -1.500 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n1 ZINC000958472450 656967230 /nfs/dbraw/zinc/96/72/30/656967230.db2.gz UWIGAYLNIXIWJZ-NXEZZACHSA-N 0 3 268.317 -1.267 20 0 CAADHN Cc1c[nH]c(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958472452 656967889 /nfs/dbraw/zinc/96/78/89/656967889.db2.gz UWIGAYLNIXIWJZ-VHSXEESVSA-N 0 3 268.317 -1.267 20 0 CAADHN O=C(Cc1cc[nH]n1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958457936 656967965 /nfs/dbraw/zinc/96/79/65/656967965.db2.gz XNXCNFQIDYZGLB-IAZYJMLFSA-N 0 3 250.302 -1.009 20 0 CAADHN Cn1ncc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958481816 656968043 /nfs/dbraw/zinc/96/80/43/656968043.db2.gz SQQJFBSAUHRJOE-SCZZXKLOSA-N 0 3 269.305 -2.170 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@H]1O)c1ncccn1 ZINC000958514674 656969467 /nfs/dbraw/zinc/96/94/67/656969467.db2.gz CKLHFZGILNRWAP-VHSXEESVSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cnon1 ZINC000958507350 656969903 /nfs/dbraw/zinc/96/99/03/656969903.db2.gz OTKJRQZZNYNMIV-VXNVDRBHSA-N 0 3 256.262 -1.916 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1cccnn1 ZINC000958518295 656970655 /nfs/dbraw/zinc/97/06/55/656970655.db2.gz AXJTZKPQBCVWCK-MWLCHTKSSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@H]1CN(CCO)C[C@@H]1O)c1ccncn1 ZINC000958506367 656970840 /nfs/dbraw/zinc/97/08/40/656970840.db2.gz DDSLOUUXFSVTRA-ONGXEEELSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)C[C@H]1O)c1ncccn1 ZINC000958514672 656970934 /nfs/dbraw/zinc/97/09/34/656970934.db2.gz CKLHFZGILNRWAP-NXEZZACHSA-N 0 3 266.301 -1.509 20 0 CAADHN O=C(NC[C@@H]1CN(CCCO)C[C@@H]1O)c1cnon1 ZINC000958506557 656971863 /nfs/dbraw/zinc/97/18/63/656971863.db2.gz FPRLCVIUQRYNNK-SCZZXKLOSA-N 0 3 270.289 -1.526 20 0 CAADHN COc1ncc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cn1 ZINC000958564733 656972888 /nfs/dbraw/zinc/97/28/88/656972888.db2.gz YOFRGYNBESUYPX-MNOVXSKESA-N 0 3 296.327 -1.500 20 0 CAADHN COc1ncc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cn1 ZINC000958564734 656973002 /nfs/dbraw/zinc/97/30/02/656973002.db2.gz YOFRGYNBESUYPX-QWRGUYRKSA-N 0 3 296.327 -1.500 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CCNC(=O)C1 ZINC000958558842 656973229 /nfs/dbraw/zinc/97/32/29/656973229.db2.gz ICJLEBVKYRRKDF-UXCLJVHYSA-N 0 3 267.329 -1.449 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)c1 ZINC000958570245 656973283 /nfs/dbraw/zinc/97/32/83/656973283.db2.gz UOLXCAWHNOALCH-DMWPJOQESA-N 0 3 289.339 -1.031 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)c1 ZINC000958526637 656974131 /nfs/dbraw/zinc/97/41/31/656974131.db2.gz ROMMMSXTYHSGIK-ONGXEEELSA-N 0 3 296.327 -1.872 20 0 CAADHN Cc1conc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958569241 656974230 /nfs/dbraw/zinc/97/42/30/656974230.db2.gz FDMHFLDSUOFPFL-VHSXEESVSA-N 0 3 269.301 -1.002 20 0 CAADHN COc1ncc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cn1 ZINC000958564732 656974661 /nfs/dbraw/zinc/97/46/61/656974661.db2.gz YOFRGYNBESUYPX-GHMZBOCLSA-N 0 3 296.327 -1.500 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CCNC(=O)C1 ZINC000958558840 656974937 /nfs/dbraw/zinc/97/49/37/656974937.db2.gz ICJLEBVKYRRKDF-SVDPJWKOSA-N 0 3 267.329 -1.449 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)c1 ZINC000958570244 656975138 /nfs/dbraw/zinc/97/51/38/656975138.db2.gz UOLXCAWHNOALCH-BSJXLVFVSA-N 0 3 289.339 -1.031 20 0 CAADHN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)n1cncn1 ZINC000958611246 656975822 /nfs/dbraw/zinc/97/58/22/656975822.db2.gz ICEMFRVFZQIGTB-UKKRHICBSA-N 0 3 265.317 -1.122 20 0 CAADHN Cn1nc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)ccc1=O ZINC000958650262 656977566 /nfs/dbraw/zinc/97/75/66/656977566.db2.gz UWFYIQQNEYYJCN-ONGXEEELSA-N 0 3 296.327 -2.205 20 0 CAADHN Cn1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)n1 ZINC000958676905 656978344 /nfs/dbraw/zinc/97/83/44/656978344.db2.gz IBKOJUQFUKYITL-ONGXEEELSA-N 0 3 268.317 -1.565 20 0 CAADHN Cc1nccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)n1 ZINC000958697421 656978361 /nfs/dbraw/zinc/97/83/61/656978361.db2.gz QGWVWTPICPSQBP-CMPLNLGQSA-N 0 3 280.328 -1.200 20 0 CAADHN Cn1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)n(C)c1=O ZINC000958737377 656978524 /nfs/dbraw/zinc/97/85/24/656978524.db2.gz ZTWVBVUUUDBQBO-MWLCHTKSSA-N 0 3 298.343 -2.261 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)c[nH]1 ZINC000958685009 656978560 /nfs/dbraw/zinc/97/85/60/656978560.db2.gz PWMMOFIFRRWQPW-MWLCHTKSSA-N 0 3 296.327 -1.872 20 0 CAADHN NC(=O)c1cc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)c[nH]1 ZINC000958685010 656978672 /nfs/dbraw/zinc/97/86/72/656978672.db2.gz PWMMOFIFRRWQPW-ONGXEEELSA-N 0 3 296.327 -1.872 20 0 CAADHN Cn1nncc1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000958742905 656979114 /nfs/dbraw/zinc/97/91/14/656979114.db2.gz YSEFAZZQUNYNSK-MBTKJCJQSA-N 0 3 251.290 -1.533 20 0 CAADHN Cc1nonc1C(=O)NC[C@H]1CN(CCO)C[C@@H]1O ZINC000958758271 656979915 /nfs/dbraw/zinc/97/99/15/656979915.db2.gz DXOIIXCEQUXABF-IUCAKERBSA-N 0 3 270.289 -1.607 20 0 CAADHN Cc1nc[nH]c1C(=O)NC[C@@H]1CN(CCO)C[C@@H]1O ZINC000958766226 656980371 /nfs/dbraw/zinc/98/03/71/656980371.db2.gz IPWWSNRALDQVFX-ZJUUUORDSA-N 0 3 268.317 -1.267 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)nn1 ZINC000958760524 656980404 /nfs/dbraw/zinc/98/04/04/656980404.db2.gz NSNIVWVHGVIVSO-GISOBZBCSA-N 0 3 290.327 -1.636 20 0 CAADHN Cc1nonc1C(=O)NC[C@H]1CN(CCO)C[C@H]1O ZINC000958758270 656980843 /nfs/dbraw/zinc/98/08/43/656980843.db2.gz DXOIIXCEQUXABF-DTWKUNHWSA-N 0 3 270.289 -1.607 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000959889720 656990388 /nfs/dbraw/zinc/99/03/88/656990388.db2.gz CBDSJWYLKWWQNB-MBTKJCJQSA-N 0 3 252.278 -2.288 20 0 CAADHN NC(=O)CC(=O)N1CCCC[C@H]1CN[C@@H]1CCNC1=O ZINC000959935174 656991773 /nfs/dbraw/zinc/99/17/73/656991773.db2.gz SBKUMPJFWQQGDT-VHSXEESVSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)c1ncn(CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)n1 ZINC000959965140 656991991 /nfs/dbraw/zinc/99/19/91/656991991.db2.gz IGNHTOHETUEBMF-MBTKJCJQSA-N 0 3 294.315 -2.584 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@H]1CN[C@H]1CCNC1=O ZINC000960114858 656992453 /nfs/dbraw/zinc/99/24/53/656992453.db2.gz MNQBASMCQNBXJH-IUCAKERBSA-N 0 3 268.317 -1.669 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@H]1CN[C@@H]1CCC(=O)NC1=O ZINC000960113085 656993027 /nfs/dbraw/zinc/99/30/27/656993027.db2.gz GYRWERBKMQPYTK-DTWKUNHWSA-N 0 3 296.327 -1.752 20 0 CAADHN NC(=O)C(=O)N1CCCC[C@H]1CN[C@@H]1CCCNC1=O ZINC000960114463 656993503 /nfs/dbraw/zinc/99/35/03/656993503.db2.gz LBPMLRKSTCZXPN-VHSXEESVSA-N 0 3 282.344 -1.279 20 0 CAADHN O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000960259278 656994164 /nfs/dbraw/zinc/99/41/64/656994164.db2.gz BKBWTPYDNLDQNM-PUHVVEEASA-N 0 3 281.356 -1.059 20 0 CAADHN C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCNC(=O)C1 ZINC000960554507 656996453 /nfs/dbraw/zinc/99/64/53/656996453.db2.gz QTLGOJYBVPOSIY-IUCKATPISA-N 0 3 281.356 -1.059 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CCC(=O)NC1 ZINC000960731740 656998307 /nfs/dbraw/zinc/99/83/07/656998307.db2.gz RZNYEGORACIMQC-SVDPJWKOSA-N 0 3 267.329 -1.449 20 0 CAADHN CN(C)CCN1CCN([C@@H]2CC(=O)N(C)C2=O)CC1=O ZINC000649482129 656998650 /nfs/dbraw/zinc/99/86/50/656998650.db2.gz CKRPCYBKDZLTEB-SNVBAGLBSA-N 0 3 282.344 -1.551 20 0 CAADHN O=C(CN1CCCNC1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000960768787 656998817 /nfs/dbraw/zinc/99/88/17/656998817.db2.gz HINKQKHQVOLCCN-IAZYJMLFSA-N 0 3 282.344 -1.560 20 0 CAADHN Cn1cncc1C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000960843334 656999601 /nfs/dbraw/zinc/99/96/01/656999601.db2.gz FYZMEHFVNJLWQN-KLBPJQLPSA-N 0 3 289.339 -1.031 20 0 CAADHN Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000960833169 657000030 /nfs/dbraw/zinc/00/00/30/657000030.db2.gz YDKCGBGHZGJHHD-IAZYJMLFSA-N 0 3 292.339 -1.224 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@@H]1CCNC(=O)CC1 ZINC000961352860 657004318 /nfs/dbraw/zinc/00/43/18/657004318.db2.gz ZUWBQHLIAMSYJI-MEWQQHAOSA-N 0 3 281.356 -1.059 20 0 CAADHN C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CNC(=O)C1 ZINC000961335375 657004886 /nfs/dbraw/zinc/00/48/86/657004886.db2.gz NDPYSAFFPXKTMT-JQEKQURRSA-N 0 3 267.329 -1.449 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)c1ccn2nnnc2c1 ZINC000961448076 657005885 /nfs/dbraw/zinc/00/58/85/657005885.db2.gz IBRIDWLHVDBCMM-IAZYJMLFSA-N 0 3 288.311 -1.223 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)n1 ZINC000961500473 657006763 /nfs/dbraw/zinc/00/67/63/657006763.db2.gz VEGRSXJVQSDVLP-JIGDXULJSA-N 0 3 252.278 -2.138 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)n1 ZINC000961509050 657007062 /nfs/dbraw/zinc/00/70/62/657007062.db2.gz XGQYSKHGXHIPRZ-UYXSQOIJSA-N 0 3 291.315 -2.241 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000961634920 657008082 /nfs/dbraw/zinc/00/80/82/657008082.db2.gz DHVZAFVMDJQOHQ-CWKFCGSDSA-N 0 3 252.274 -2.593 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)[C@H]1CNC(=O)N1 ZINC000961642564 657009708 /nfs/dbraw/zinc/00/97/08/657009708.db2.gz UCTVDYLOVNMEJA-XAVMHZPKSA-N 0 3 254.290 -2.294 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC000961646467 657009732 /nfs/dbraw/zinc/00/97/32/657009732.db2.gz IKHNXBYAQJLXFW-AYHNYZOXSA-N 0 3 280.284 -2.677 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC000961647669 657010406 /nfs/dbraw/zinc/01/04/06/657010406.db2.gz LIIYLFBXNCMMCU-BRPSZJMVSA-N 0 3 281.316 -2.457 20 0 CAADHN NC(=O)C(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC000961660884 657011550 /nfs/dbraw/zinc/01/15/50/657011550.db2.gz TUZLXDMFPIQVHR-BRPSZJMVSA-N 0 3 264.289 -2.190 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(CC(N)=O)C[C@H]32)C1 ZINC000961785496 657012039 /nfs/dbraw/zinc/01/20/39/657012039.db2.gz FXMGAXVBNJYPMO-KZWBYHQPSA-N 0 3 280.372 -1.140 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)C1 ZINC000961795845 657012075 /nfs/dbraw/zinc/01/20/75/657012075.db2.gz QQAKPEIYNSKDHF-LVEVGFFFSA-N 0 3 281.356 -1.073 20 0 CAADHN C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCNC1=O ZINC000961753267 657012544 /nfs/dbraw/zinc/01/25/44/657012544.db2.gz WAKRHPZRIBBOOQ-KEPMVKOISA-N 0 3 267.329 -1.449 20 0 CAADHN C[C@]1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CCNC1=O ZINC000961753277 657012594 /nfs/dbraw/zinc/01/25/94/657012594.db2.gz WAKRHPZRIBBOOQ-WTBMIXGQSA-N 0 3 267.329 -1.449 20 0 CAADHN NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cnc[nH]1 ZINC000961896424 657013309 /nfs/dbraw/zinc/01/33/09/657013309.db2.gz VJVSXTLVBYZXLC-GDGBQDQQSA-N 0 3 263.301 -1.516 20 0 CAADHN O=C(Cc1c[nH]cn1)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC000961896288 657013568 /nfs/dbraw/zinc/01/35/68/657013568.db2.gz STNLMYAELZDBIF-SRRSOLGSSA-N 0 3 289.339 -1.113 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)n1 ZINC000962042686 657015159 /nfs/dbraw/zinc/01/51/59/657015159.db2.gz KTLWGVGQTPWJMD-MBTKJCJQSA-N 0 3 251.290 -1.533 20 0 CAADHN O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1)N1CCC1 ZINC000962070357 657015209 /nfs/dbraw/zinc/01/52/09/657015209.db2.gz BBPCQFJMRQWAHV-JZYVYDRUSA-N 0 3 290.327 -1.303 20 0 CAADHN O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1)N1CCC1 ZINC000962070357 657015212 /nfs/dbraw/zinc/01/52/12/657015212.db2.gz BBPCQFJMRQWAHV-JZYVYDRUSA-N 0 3 290.327 -1.303 20 0 CAADHN O=C(N[C@@H]1[C@H]2CN(CCO)C[C@H]21)c1nc2ncccn2n1 ZINC000962081167 657015843 /nfs/dbraw/zinc/01/58/43/657015843.db2.gz PLACCJBGOGTZOA-MYJAWHEDSA-N 0 3 288.311 -1.223 20 0 CAADHN O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncn[nH]1)NC1CC1 ZINC000962084127 657016163 /nfs/dbraw/zinc/01/61/63/657016163.db2.gz MHRDZCRZUGIAJC-JZYVYDRUSA-N 0 3 290.327 -1.257 20 0 CAADHN O=C(CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc[nH]n1)NC1CC1 ZINC000962084127 657016170 /nfs/dbraw/zinc/01/61/70/657016170.db2.gz MHRDZCRZUGIAJC-JZYVYDRUSA-N 0 3 290.327 -1.257 20 0 CAADHN Cc1nonc1CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962177357 657016922 /nfs/dbraw/zinc/01/69/22/657016922.db2.gz FMLBCHQQLZRUAZ-GDGBQDQQSA-N 0 3 266.301 -1.041 20 0 CAADHN O=C(CN1CCC(=O)NC1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962219659 657018359 /nfs/dbraw/zinc/01/83/59/657018359.db2.gz DPGJGHSDHSBYIV-GDGBQDQQSA-N 0 3 296.327 -2.033 20 0 CAADHN NC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962269344 657019064 /nfs/dbraw/zinc/01/90/64/657019064.db2.gz GINUTMSRJCCIKT-WHOHXGKFSA-N 0 3 296.371 -1.042 20 0 CAADHN Cc1ccc(=O)n(CC(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)n1 ZINC000962351304 657019713 /nfs/dbraw/zinc/01/97/13/657019713.db2.gz HLWDDJJKAQJYCF-YABSGUDNSA-N 0 3 292.339 -1.410 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962475312 657020590 /nfs/dbraw/zinc/02/05/90/657020590.db2.gz MREKPQMPNRLQBE-JZYVYDRUSA-N 0 3 251.290 -1.683 20 0 CAADHN Cn1nnnc1CNCC1CC(NC(=O)c2nnc[nH]2)C1 ZINC000962433881 657020897 /nfs/dbraw/zinc/02/08/97/657020897.db2.gz BKYWTLBBNLAFIZ-UHFFFAOYSA-N 0 3 291.319 -1.374 20 0 CAADHN NC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC1 ZINC000962502024 657021598 /nfs/dbraw/zinc/02/15/98/657021598.db2.gz FKICAKJLXNFBGD-GDNZZTSVSA-N 0 3 296.371 -1.184 20 0 CAADHN O=C(Cc1nnc[n-]1)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1 ZINC000962505161 657021683 /nfs/dbraw/zinc/02/16/83/657021683.db2.gz XVGXXTKQXVCPQD-UDNWOFFPSA-N 0 3 292.343 -1.280 20 0 CAADHN NC(=O)c1ncccc1C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000962702357 657023519 /nfs/dbraw/zinc/02/35/19/657023519.db2.gz OVRHOTJAEDROKH-URLYPYJESA-N 0 3 290.323 -1.167 20 0 CAADHN Cc1nonc1C(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC000963044090 657023956 /nfs/dbraw/zinc/02/39/56/657023956.db2.gz HIIZAYLSPDHWJA-LOKLDPHHSA-N 0 3 291.311 -1.073 20 0 CAADHN NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)nc1 ZINC000963007073 657024609 /nfs/dbraw/zinc/02/46/09/657024609.db2.gz OUMOYWUZPWYNKY-IAZYJMLFSA-N 0 3 290.323 -1.167 20 0 CAADHN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)N1CCOCC1 ZINC000963173477 657025175 /nfs/dbraw/zinc/02/51/75/657025175.db2.gz WDMTVSLFVSTMMQ-WUHRBBMRSA-N 0 3 283.372 -1.254 20 0 CAADHN NC(=O)CN1CCC[C@@H]1[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC000963357948 657025611 /nfs/dbraw/zinc/02/56/11/657025611.db2.gz MRNQFOGVNOAKQW-VHSXEESVSA-N 0 3 282.344 -1.340 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC000963151872 657025699 /nfs/dbraw/zinc/02/56/99/657025699.db2.gz FJGHHNKDSRRMBH-XBWDGYHZSA-N 0 3 281.312 -1.922 20 0 CAADHN NC(=O)c1ccnc(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)c1 ZINC000963185199 657025717 /nfs/dbraw/zinc/02/57/17/657025717.db2.gz RDZOTYMLRNHTGA-IAZYJMLFSA-N 0 3 290.323 -1.167 20 0 CAADHN C[C@H]1CCN(CCCO)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966133678 657037275 /nfs/dbraw/zinc/03/72/75/657037275.db2.gz OYGXZQJMAFJOOX-WDEREUQCSA-N 0 3 282.348 -1.118 20 0 CAADHN C[C@@H]1CCN(CCCO)C[C@H]1NC(=O)Cn1ncnn1 ZINC000966133674 657037845 /nfs/dbraw/zinc/03/78/45/657037845.db2.gz OYGXZQJMAFJOOX-GHMZBOCLSA-N 0 3 282.348 -1.118 20 0 CAADHN C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1NC(=O)C(N)=O ZINC000966520276 657041250 /nfs/dbraw/zinc/04/12/50/657041250.db2.gz IDLUXHCSOPCHIU-GXSJLCMTSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1CCN(CCO)C[C@@H]1NC(=O)CN1CCOCC1=O ZINC000966754945 657044945 /nfs/dbraw/zinc/04/49/45/657044945.db2.gz UJBQITJEIJZTGL-RYUDHWBXSA-N 0 3 299.371 -1.336 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)Cn2cccn2)C1)C(N)=O ZINC000967030315 657047087 /nfs/dbraw/zinc/04/70/87/657047087.db2.gz IGAJHOPOQHKFBV-VHSXEESVSA-N 0 3 265.317 -1.053 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000966889707 657047195 /nfs/dbraw/zinc/04/71/95/657047195.db2.gz RMMINXQWMJUNOJ-BDAKNGLRSA-N 0 3 279.304 -2.248 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000966889001 657047223 /nfs/dbraw/zinc/04/72/23/657047223.db2.gz JFRNMGXKJAOURK-NXEZZACHSA-N 0 3 293.331 -1.858 20 0 CAADHN Cn1nccc1CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000966889516 657047596 /nfs/dbraw/zinc/04/75/96/657047596.db2.gz OQMGRXOCSLZLFS-SNVBAGLBSA-N 0 3 290.331 -1.203 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC000966888530 657047793 /nfs/dbraw/zinc/04/77/93/657047793.db2.gz AUEOAIPSHUEDRM-SSDOTTSWSA-N 0 3 253.266 -2.651 20 0 CAADHN O=C(CCn1cncn1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000967156942 657047807 /nfs/dbraw/zinc/04/78/07/657047807.db2.gz XTTHEMDZSJPNOK-GHMZBOCLSA-N 0 3 292.343 -1.253 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CCn2cncn2)C1)C(N)=O ZINC000967134430 657047815 /nfs/dbraw/zinc/04/78/15/657047815.db2.gz ODNRBVNGBUZCHC-NXEZZACHSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@@H]1NC(=O)Cn1ncn(C)c1=O ZINC000967031983 657047853 /nfs/dbraw/zinc/04/78/53/657047853.db2.gz MHOAIMMVBAQGPQ-MNOVXSKESA-N 0 3 297.359 -1.599 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC000966886398 657047913 /nfs/dbraw/zinc/04/79/13/657047913.db2.gz YWECCEPNQVGLPF-SECBINFHSA-N 0 3 268.317 -1.715 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC000966889004 657048049 /nfs/dbraw/zinc/04/80/49/657048049.db2.gz JFRNMGXKJAOURK-ZJUUUORDSA-N 0 3 293.331 -1.858 20 0 CAADHN Cn1nccc1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000967646736 657049001 /nfs/dbraw/zinc/04/90/01/657049001.db2.gz YEHLSKUTQLADCE-MRVPVSSYSA-N 0 3 251.290 -1.291 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1)N1CCC1 ZINC000967285263 657049168 /nfs/dbraw/zinc/04/91/68/657049168.db2.gz ZXNLWPZLONKGQC-VXGBXAGGSA-N 0 3 297.355 -1.175 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1)C(N)=O ZINC000967424687 657049355 /nfs/dbraw/zinc/04/93/55/657049355.db2.gz NJWXHIXKWZGLIO-HTQZYQBOSA-N 0 3 277.346 -1.905 20 0 CAADHN C[C@H]1CCN(CCO)C[C@@H]1NC(=O)CN1CCNC(=O)C1 ZINC000967724884 657049370 /nfs/dbraw/zinc/04/93/70/657049370.db2.gz RYRRLHHKSMQOPX-RYUDHWBXSA-N 0 3 298.387 -1.763 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCn2cccn2)C1 ZINC000967266923 657049385 /nfs/dbraw/zinc/04/93/85/657049385.db2.gz CLDDOJPMPWSPOC-SNVBAGLBSA-N 0 3 265.317 -1.051 20 0 CAADHN C[C@H]1CCN(CCO)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC000967724883 657049455 /nfs/dbraw/zinc/04/94/55/657049455.db2.gz RYRRLHHKSMQOPX-NWDGAFQWSA-N 0 3 298.387 -1.763 20 0 CAADHN CS(=O)(=O)CC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000967424886 657049615 /nfs/dbraw/zinc/04/96/15/657049615.db2.gz SEFIBDBMVZTYPT-BDAKNGLRSA-N 0 3 289.357 -1.890 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)C(N)=O ZINC000967749764 657050383 /nfs/dbraw/zinc/05/03/83/657050383.db2.gz KUDPSBRKRAQTHR-IWSPIJDZSA-N 0 3 268.317 -1.671 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000968123840 657050571 /nfs/dbraw/zinc/05/05/71/657050571.db2.gz LOAQNXMYNHQFCO-RKDXNWHRSA-N 0 3 268.317 -1.669 20 0 CAADHN Nc1nccnc1C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000968027402 657051026 /nfs/dbraw/zinc/05/10/26/657051026.db2.gz MGDDYJUGGZGBMM-BDAKNGLRSA-N 0 3 290.327 -1.249 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000967766984 657051062 /nfs/dbraw/zinc/05/10/62/657051062.db2.gz IULNMRJNFXJWBK-OPRDCNLKSA-N 0 3 280.328 -1.656 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000968125636 657052162 /nfs/dbraw/zinc/05/21/62/657052162.db2.gz ZXLFXHWYNVGJLI-HTQZYQBOSA-N 0 3 254.290 -2.059 20 0 CAADHN Cc1c(C(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)nnn1C ZINC000968237530 657052219 /nfs/dbraw/zinc/05/22/19/657052219.db2.gz JSQDPZKJZANIOP-VXNVDRBHSA-N 0 3 280.332 -1.199 20 0 CAADHN O=C(CN1CCOCC1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000968445569 657053128 /nfs/dbraw/zinc/05/31/28/657053128.db2.gz CYSDOPXMEZRJPA-NEPJUHHUSA-N 0 3 296.371 -1.602 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC000968417280 657053143 /nfs/dbraw/zinc/05/31/43/657053143.db2.gz FCYQYLSTDUTKME-KOLCDFICSA-N 0 3 297.355 -1.142 20 0 CAADHN O=C(CN1CN=NC1=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000968454027 657053241 /nfs/dbraw/zinc/05/32/41/657053241.db2.gz WXQIAHGVFPZAIZ-BDAKNGLRSA-N 0 3 294.315 -1.937 20 0 CAADHN C[C@H]1CCN(CCO)C[C@@H]1NC(=O)CN1CC(=O)NC1=O ZINC000968431721 657053255 /nfs/dbraw/zinc/05/32/55/657053255.db2.gz OQSLGPGMHJMICI-UWVGGRQHSA-N 0 3 298.343 -1.643 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC000968453279 657053483 /nfs/dbraw/zinc/05/34/83/657053483.db2.gz GFUMXZJNDYBIEZ-SSDOTTSWSA-N 0 3 268.277 -2.341 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](NCC(N)=O)C2)c1 ZINC000968410603 657053500 /nfs/dbraw/zinc/05/35/00/657053500.db2.gz KCBJEJSPCIGHQL-MRVPVSSYSA-N 0 3 251.290 -1.291 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CN2CCOCC2)C1)C(N)=O ZINC000968445524 657053511 /nfs/dbraw/zinc/05/35/11/657053511.db2.gz BOELFFSKQDTVIP-GHMZBOCLSA-N 0 3 284.360 -1.617 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC000968431720 657053571 /nfs/dbraw/zinc/05/35/71/657053571.db2.gz OQSLGPGMHJMICI-NXEZZACHSA-N 0 3 298.343 -1.643 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC000968445813 657053623 /nfs/dbraw/zinc/05/36/23/657053623.db2.gz JFNMKJZVARAEOG-SNVBAGLBSA-N 0 3 270.333 -2.006 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC000968555819 657053960 /nfs/dbraw/zinc/05/39/60/657053960.db2.gz CYWJSCBKBHZIEC-RNFRBKRXSA-N 0 3 256.262 -2.229 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cnnn2C)C1)C(N)=O ZINC000968552795 657054074 /nfs/dbraw/zinc/05/40/74/657054074.db2.gz HSEJSVYBMHOMCS-HTQZYQBOSA-N 0 3 266.305 -1.507 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2ncn(C)n2)C1)C(N)=O ZINC000968571916 657054344 /nfs/dbraw/zinc/05/43/44/657054344.db2.gz GGKOKXHVEROBEL-JGVFFNPUSA-N 0 3 266.305 -1.507 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000968553238 657054382 /nfs/dbraw/zinc/05/43/82/657054382.db2.gz RVBJFECACYVNRR-RKDXNWHRSA-N 0 3 278.316 -1.492 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)nn1 ZINC000968576150 657054409 /nfs/dbraw/zinc/05/44/09/657054409.db2.gz URNFJNOAJTXEPH-RKDXNWHRSA-N 0 3 278.316 -1.492 20 0 CAADHN Cn1cc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)nn1 ZINC000968576149 657054543 /nfs/dbraw/zinc/05/45/43/657054543.db2.gz URNFJNOAJTXEPH-BDAKNGLRSA-N 0 3 278.316 -1.492 20 0 CAADHN Cn1nccc1CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000968525879 657054647 /nfs/dbraw/zinc/05/46/47/657054647.db2.gz LJJPKXXOUJXUNC-SECBINFHSA-N 0 3 265.317 -1.362 20 0 CAADHN Cn1oc(C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)cc1=O ZINC000968515749 657054818 /nfs/dbraw/zinc/05/48/18/657054818.db2.gz IRWCZUUTTYGKBG-BDAKNGLRSA-N 0 3 294.311 -1.329 20 0 CAADHN Cn1oc(C(=O)N2CC[C@@H](NCC(N)=O)C2)cc1=O ZINC000968516241 657054907 /nfs/dbraw/zinc/05/49/07/657054907.db2.gz XQIRGMVOHDIMSW-SSDOTTSWSA-N 0 3 268.273 -1.732 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CCn2ccnn2)C1)C(N)=O ZINC000968506028 657054913 /nfs/dbraw/zinc/05/49/13/657054913.db2.gz MNDUKXNAXYOJEQ-VHSXEESVSA-N 0 3 280.332 -1.268 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CC2OCCCO2)C1 ZINC000968491727 657055177 /nfs/dbraw/zinc/05/51/77/657055177.db2.gz XTFXRNBMJGHGIX-SECBINFHSA-N 0 3 271.317 -1.185 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000968627608 657055493 /nfs/dbraw/zinc/05/54/93/657055493.db2.gz KHOCOIHNGKZPJC-NXEZZACHSA-N 0 3 298.343 -1.643 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](N[C@H](C)C(N)=O)C2)[nH]1 ZINC000968633401 657055577 /nfs/dbraw/zinc/05/55/77/657055577.db2.gz UYPGSIQFVGTRGW-VXNVDRBHSA-N 0 3 280.332 -1.280 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@@H]1NC(=O)CN1C(=O)CNC1=O ZINC000968627611 657055600 /nfs/dbraw/zinc/05/56/00/657055600.db2.gz KHOCOIHNGKZPJC-ZJUUUORDSA-N 0 3 298.343 -1.643 20 0 CAADHN Cn1ccc(CC(=O)N2CC[C@@H](NCC(N)=O)C2)n1 ZINC000968640214 657055621 /nfs/dbraw/zinc/05/56/21/657055621.db2.gz XNQKVSWFKSCMJJ-SNVBAGLBSA-N 0 3 265.317 -1.362 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)[nH]1 ZINC000968633025 657055658 /nfs/dbraw/zinc/05/56/58/657055658.db2.gz MMUJBWLCHAVGTC-ZJUUUORDSA-N 0 3 292.343 -1.265 20 0 CAADHN C[C@@H]1CCN(CCO)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC000968632355 657055770 /nfs/dbraw/zinc/05/57/70/657055770.db2.gz ONQBKAPZFZAJGW-GHMZBOCLSA-N 0 3 297.355 -1.046 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)[nH]1 ZINC000968633024 657056044 /nfs/dbraw/zinc/05/60/44/657056044.db2.gz MMUJBWLCHAVGTC-NXEZZACHSA-N 0 3 292.343 -1.265 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)Cn2ncnn2)C1)C(N)=O ZINC000968680418 657056110 /nfs/dbraw/zinc/05/61/10/657056110.db2.gz XFMRYJDAJVNQGZ-JGVFFNPUSA-N 0 3 267.293 -2.263 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)n1 ZINC000968581016 657056127 /nfs/dbraw/zinc/05/61/27/657056127.db2.gz KFQFONAMHWKBKL-SNVBAGLBSA-N 0 3 292.343 -1.149 20 0 CAADHN C[C@H]1CCN(CCO)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC000968627610 657056222 /nfs/dbraw/zinc/05/62/22/657056222.db2.gz KHOCOIHNGKZPJC-VHSXEESVSA-N 0 3 298.343 -1.643 20 0 CAADHN Cn1nccc1CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000968672559 657056292 /nfs/dbraw/zinc/05/62/92/657056292.db2.gz IDMKEWSALWLPJV-SNVBAGLBSA-N 0 3 290.331 -1.203 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000968683458 657057063 /nfs/dbraw/zinc/05/70/63/657057063.db2.gz MDCGTNQWVVPVOI-RKDXNWHRSA-N 0 3 279.304 -2.248 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)Cn2nccn2)C1)C(N)=O ZINC000968805715 657057460 /nfs/dbraw/zinc/05/74/60/657057460.db2.gz RJQJDUILSTXXTJ-DTWKUNHWSA-N 0 3 266.305 -1.658 20 0 CAADHN O=C(Cn1nccn1)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC000968807524 657057505 /nfs/dbraw/zinc/05/75/05/657057505.db2.gz FPGAWFSAAYTLFO-GHMZBOCLSA-N 0 3 292.343 -1.253 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC000968683562 657057926 /nfs/dbraw/zinc/05/79/26/657057926.db2.gz QQRRKCIHBOAJQK-SSDOTTSWSA-N 0 3 253.266 -2.651 20 0 CAADHN O=C(Cn1nccn1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000968808484 657058577 /nfs/dbraw/zinc/05/85/77/657058577.db2.gz ZYASIUNVEMHTPJ-NXEZZACHSA-N 0 3 278.316 -1.643 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)C(C)(C)C(N)=O)C1)C(N)=O ZINC000968986273 657058585 /nfs/dbraw/zinc/05/85/85/657058585.db2.gz HHUNPDBLEKHFCE-JGVFFNPUSA-N 0 3 270.333 -1.438 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)c2ccc3n[nH]nc3n2)C1 ZINC000968860192 657059069 /nfs/dbraw/zinc/05/90/69/657059069.db2.gz BRWDWHICYXPZLV-SSDOTTSWSA-N 0 3 289.299 -1.358 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC000968994497 657059263 /nfs/dbraw/zinc/05/92/63/657059263.db2.gz MHRQEOXCPBBGNB-BDAKNGLRSA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)NC2=O)C1)C(N)=O ZINC000968952586 657059422 /nfs/dbraw/zinc/05/94/22/657059422.db2.gz OEEOVYZFOPDKSU-PRJMDXOYSA-N 0 3 297.315 -2.351 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1)C(N)=O ZINC000969020007 657059818 /nfs/dbraw/zinc/05/98/18/657059818.db2.gz NCTIMXPPPXFGSV-OPRDCNLKSA-N 0 3 282.344 -1.281 20 0 CAADHN O=C(c1cn[nH]c(=O)c1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000969007722 657059874 /nfs/dbraw/zinc/05/98/74/657059874.db2.gz JFMDKGTUXCPCEA-NXEZZACHSA-N 0 3 291.311 -1.125 20 0 CAADHN Cc1nc(C(=O)N2CC[C@@H](NCC(N)=O)C2)c(=O)[nH]c1C ZINC000969054232 657059953 /nfs/dbraw/zinc/05/99/53/657059953.db2.gz OHTUSRHRIIJPPK-SECBINFHSA-N 0 3 293.327 -1.324 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1)C(N)=O ZINC000969007680 657060128 /nfs/dbraw/zinc/06/01/28/657060128.db2.gz GYBRCGFPJADOHR-IONNQARKSA-N 0 3 279.300 -1.140 20 0 CAADHN NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCCC1 ZINC000969062808 657060477 /nfs/dbraw/zinc/06/04/77/657060477.db2.gz YISNBGKDMFIKAT-PHIMTYICSA-N 0 3 294.355 -1.231 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC000969010653 657060685 /nfs/dbraw/zinc/06/06/85/657060685.db2.gz YSSSPGDNHZBCDT-SSDOTTSWSA-N 0 3 267.289 -1.287 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC000969026823 657060910 /nfs/dbraw/zinc/06/09/10/657060910.db2.gz SNFGNRMYESEGOG-RKDXNWHRSA-N 0 3 268.317 -1.669 20 0 CAADHN C[C@]1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CCNC(=O)C1 ZINC000969077459 657060976 /nfs/dbraw/zinc/06/09/76/657060976.db2.gz RYARVTSXRDKWNG-RNCFNFMXSA-N 0 3 282.344 -1.422 20 0 CAADHN O=C([C@H]1CCCC(=O)N1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000969026726 657061007 /nfs/dbraw/zinc/06/10/07/657061007.db2.gz NHBADLCWKQUOPL-GMTAPVOTSA-N 0 3 294.355 -1.266 20 0 CAADHN C[C@@H](O)CN1CCC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001006682736 657061444 /nfs/dbraw/zinc/06/14/44/657061444.db2.gz IHZLUZLFXVQTBL-ZJUUUORDSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007162349 657062676 /nfs/dbraw/zinc/06/26/76/657062676.db2.gz RJKOGESVYUDWIV-NXEZZACHSA-N 0 3 283.332 -1.055 20 0 CAADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001007343673 657063042 /nfs/dbraw/zinc/06/30/42/657063042.db2.gz NCNPWEXQLQZVSH-NXEZZACHSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@H](O)CN1CCC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001007162351 657063122 /nfs/dbraw/zinc/06/31/22/657063122.db2.gz RJKOGESVYUDWIV-VHSXEESVSA-N 0 3 283.332 -1.055 20 0 CAADHN C[C@@H](O)CN1CCC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001007343681 657063218 /nfs/dbraw/zinc/06/32/18/657063218.db2.gz NCNPWEXQLQZVSH-ZJUUUORDSA-N 0 3 268.321 -1.366 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CCCN(CCCO)C1 ZINC001007348522 657064625 /nfs/dbraw/zinc/06/46/25/657064625.db2.gz GJMVFVCEEPPYLK-SNVBAGLBSA-N 0 3 268.321 -1.364 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCN(CCCO)C1 ZINC001007518810 657065611 /nfs/dbraw/zinc/06/56/11/657065611.db2.gz FDYLFFLYZWYTTG-ZJUUUORDSA-N 0 3 298.343 -1.453 20 0 CAADHN C[C@@H](O)CN1CCC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001007708448 657066477 /nfs/dbraw/zinc/06/64/77/657066477.db2.gz YGZYZZSHDKJXSG-GHMZBOCLSA-N 0 3 297.359 -1.457 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCN(CCCO)C1 ZINC001009450352 657080044 /nfs/dbraw/zinc/08/00/44/657080044.db2.gz AWLPQMWQCZKHJU-SNVBAGLBSA-N 0 3 298.343 -1.499 20 0 CAADHN COCCN1CCC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001009460914 657080640 /nfs/dbraw/zinc/08/06/40/657080640.db2.gz NWTAFVWVKBTMRX-JTQLQIEISA-N 0 3 298.343 -1.235 20 0 CAADHN O=C(CN1CCCC1=O)N[C@H]1CCN(CCO)C1 ZINC001010109166 657084542 /nfs/dbraw/zinc/08/45/42/657084542.db2.gz XAEMQXAPSAMFPW-JTQLQIEISA-N 0 3 255.318 -1.208 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010109111 657084566 /nfs/dbraw/zinc/08/45/66/657084566.db2.gz RIAFWZIKAPBTGJ-BDAKNGLRSA-N 0 3 254.294 -1.756 20 0 CAADHN COC[C@H](C)N1CC[C@H](NC(=O)Cn2cnnn2)C1 ZINC001010081251 657084915 /nfs/dbraw/zinc/08/49/15/657084915.db2.gz UBGFFZFJMLGGIX-UWVGGRQHSA-N 0 3 268.321 -1.102 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010109135 657085633 /nfs/dbraw/zinc/08/56/33/657085633.db2.gz RIAFWZIKAPBTGJ-RKDXNWHRSA-N 0 3 254.294 -1.756 20 0 CAADHN CO[C@H](C)CN1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC001010111049 657087289 /nfs/dbraw/zinc/08/72/89/657087289.db2.gz XGXIJXKYJJTHGE-NXEZZACHSA-N 0 3 268.321 -1.102 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@@H]1COCCO1 ZINC001010288740 657088089 /nfs/dbraw/zinc/08/80/89/657088089.db2.gz RHOZZYKHXICKDY-QWRGUYRKSA-N 0 3 258.318 -1.025 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@H]1COCCO1 ZINC001010288746 657088647 /nfs/dbraw/zinc/08/86/47/657088647.db2.gz RHOZZYKHXICKDY-WDEREUQCSA-N 0 3 258.318 -1.025 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N[C@@H]1CCN(CCCO)C1 ZINC001010691511 657093260 /nfs/dbraw/zinc/09/32/60/657093260.db2.gz MAUDCJCWRGMXMG-VXGBXAGGSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN2CCOCC2)C1 ZINC001010662661 657093361 /nfs/dbraw/zinc/09/33/61/657093361.db2.gz KHIGRCZEUUFOCW-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010695260 657093732 /nfs/dbraw/zinc/09/37/32/657093732.db2.gz COOHATMNVAIHMI-BDAKNGLRSA-N 0 3 269.305 -1.445 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN2CN=NC2=O)C1 ZINC001010695274 657093888 /nfs/dbraw/zinc/09/38/88/657093888.db2.gz COOHATMNVAIHMI-RKDXNWHRSA-N 0 3 269.305 -1.445 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H]1CCN(CCO)C1 ZINC001010699738 657094029 /nfs/dbraw/zinc/09/40/29/657094029.db2.gz WAQDPRXNTPZXAN-MRVPVSSYSA-N 0 3 255.278 -1.834 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@H]1CCN(CCO)C1 ZINC001010699743 657094711 /nfs/dbraw/zinc/09/47/11/657094711.db2.gz WAQDPRXNTPZXAN-QMMMGPOBSA-N 0 3 255.278 -1.834 20 0 CAADHN C[C@@H]1CCN(CC(=O)N2CCN(C(=O)CC(N)=O)CC2)C1 ZINC001010802247 657097796 /nfs/dbraw/zinc/09/77/96/657097796.db2.gz FFAPYQPAXJCLAK-LLVKDONJSA-N 0 3 296.371 -1.126 20 0 CAADHN CN(C)[C@@H](C(=O)N1CCN(C(=O)CC(N)=O)CC1)C1CC1 ZINC001010804154 657097813 /nfs/dbraw/zinc/09/78/13/657097813.db2.gz QLVSCBZKAMEGIG-CYBMUJFWSA-N 0 3 296.371 -1.127 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@@H]1COC(=O)N1 ZINC001010816278 657098777 /nfs/dbraw/zinc/09/87/77/657098777.db2.gz MTXJLSJURRSQOY-BDAKNGLRSA-N 0 3 257.290 -1.332 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@@H]1COC(=O)N1 ZINC001010816280 657099102 /nfs/dbraw/zinc/09/91/02/657099102.db2.gz MTXJLSJURRSQOY-IUCAKERBSA-N 0 3 257.290 -1.332 20 0 CAADHN CN(C)[C@H](C(=O)N1CCN(C(=O)CC(N)=O)CC1)C1CC1 ZINC001010804155 657099357 /nfs/dbraw/zinc/09/93/57/657099357.db2.gz QLVSCBZKAMEGIG-ZDUSSCGKSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C)C1(C(=O)N2CCN(C(=O)C(N)=O)CC2)CCC1 ZINC001011262835 657107938 /nfs/dbraw/zinc/10/79/38/657107938.db2.gz TUNGPUMHDFDXLC-UHFFFAOYSA-N 0 3 282.344 -1.373 20 0 CAADHN CN(C)[C@@H](C(=O)N1CCN(C(=O)C(N)=O)CC1)C1CC1 ZINC001011264075 657108461 /nfs/dbraw/zinc/10/84/61/657108461.db2.gz ZTBKHXVXFXANDI-SNVBAGLBSA-N 0 3 282.344 -1.517 20 0 CAADHN CC1CCN(CC(=O)N2CCN(C(=O)C(N)=O)CC2)CC1 ZINC001012211093 657124053 /nfs/dbraw/zinc/12/40/53/657124053.db2.gz KMVJBXGXZWUBHS-UHFFFAOYSA-N 0 3 296.371 -1.126 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001013965318 657140222 /nfs/dbraw/zinc/14/02/22/657140222.db2.gz FYOYRDMSGCDUEH-CBAPKCEASA-N 0 3 293.327 -1.148 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001013965319 657140805 /nfs/dbraw/zinc/14/08/05/657140805.db2.gz FYOYRDMSGCDUEH-IONNQARKSA-N 0 3 293.327 -1.148 20 0 CAADHN Cc1nnc(CC(=O)N[C@@H]2CCN(CCO)C2)[nH]1 ZINC001014387418 657144592 /nfs/dbraw/zinc/14/45/92/657144592.db2.gz KTMJLVGGLPRKLE-SECBINFHSA-N 0 3 253.306 -1.162 20 0 CAADHN CO[C@@H](C)CN1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014432431 657145691 /nfs/dbraw/zinc/14/56/91/657145691.db2.gz XMAFXMKPTSJVCY-UWVGGRQHSA-N 0 3 268.321 -1.102 20 0 CAADHN CO[C@H](C)CN1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014432438 657145914 /nfs/dbraw/zinc/14/59/14/657145914.db2.gz XMAFXMKPTSJVCY-ZJUUUORDSA-N 0 3 268.321 -1.102 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014432289 657146289 /nfs/dbraw/zinc/14/62/89/657146289.db2.gz WMLXSPGMBQCJJO-SECBINFHSA-N 0 3 254.294 -1.490 20 0 CAADHN CO[C@H](C)CN1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014432394 657146585 /nfs/dbraw/zinc/14/65/85/657146585.db2.gz XMAFXMKPTSJVCY-NXEZZACHSA-N 0 3 268.321 -1.102 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014431754 657146680 /nfs/dbraw/zinc/14/66/80/657146680.db2.gz VEJBJSOLQOSEHG-IUCAKERBSA-N 0 3 254.294 -1.756 20 0 CAADHN COC[C@@H](C)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014446308 657147374 /nfs/dbraw/zinc/14/73/74/657147374.db2.gz GVVRYUQJBIFNQN-NXEZZACHSA-N 0 3 268.321 -1.102 20 0 CAADHN NC(=O)c1ncn(CC(=O)N[C@H]2CCN(CCCO)C2)n1 ZINC001014507145 657147637 /nfs/dbraw/zinc/14/76/37/657147637.db2.gz JRBCWHRXLMBYTI-VIFPVBQESA-N 0 3 296.331 -2.050 20 0 CAADHN COC[C@@H](C)N1CC[C@H](NC(=O)Cn2ncnn2)C1 ZINC001014446324 657147681 /nfs/dbraw/zinc/14/76/81/657147681.db2.gz GVVRYUQJBIFNQN-ZJUUUORDSA-N 0 3 268.321 -1.102 20 0 CAADHN COC[C@H](C)N1CC[C@@H](NC(=O)Cn2ncnn2)C1 ZINC001014446322 657148779 /nfs/dbraw/zinc/14/87/79/657148779.db2.gz GVVRYUQJBIFNQN-VHSXEESVSA-N 0 3 268.321 -1.102 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)N[C@@H]1CCN(CCO)C1 ZINC001014708556 657150484 /nfs/dbraw/zinc/15/04/84/657150484.db2.gz WURBTBAFXFHKND-VHSXEESVSA-N 0 3 255.318 -1.305 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2ccc(=O)n(C)c2=O)C1 ZINC001014623152 657151400 /nfs/dbraw/zinc/15/14/00/657151400.db2.gz AFJANFICZZLSNL-JTQLQIEISA-N 0 3 280.328 -1.243 20 0 CAADHN O=C(CN1CCCS1(=O)=O)N[C@@H]1CCN(CCO)C1 ZINC001014642553 657151515 /nfs/dbraw/zinc/15/15/15/657151515.db2.gz FIMRBXXVFANZEE-SNVBAGLBSA-N 0 3 291.373 -1.795 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)c2cc(=O)n(C)cn2)C1 ZINC001014786589 657152011 /nfs/dbraw/zinc/15/20/11/657152011.db2.gz SMTCRLBTWWHCJQ-NXEZZACHSA-N 0 3 280.328 -1.035 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001014741341 657152955 /nfs/dbraw/zinc/15/29/55/657152955.db2.gz OTYAXQHXWZHOBL-MNOVXSKESA-N 0 3 285.344 -1.584 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2CCN(CCCO)C2)cc1=O ZINC001014797396 657153305 /nfs/dbraw/zinc/15/33/05/657153305.db2.gz RGKIVTVHRNASEO-SNVBAGLBSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2CCN(CCO)C2)O1 ZINC001014920672 657155456 /nfs/dbraw/zinc/15/54/56/657155456.db2.gz OMOJAQPPVSVRLZ-GRYCIOLGSA-N 0 3 271.361 -1.112 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015004085 657157522 /nfs/dbraw/zinc/15/75/22/657157522.db2.gz NJEIEHZXCZETHO-VHSXEESVSA-N 0 3 283.332 -1.847 20 0 CAADHN CO[C@H](C)CN1CC[C@@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001015005281 657157588 /nfs/dbraw/zinc/15/75/88/657157588.db2.gz VFHSZKBDOKHQCD-GHMZBOCLSA-N 0 3 297.359 -1.193 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014999860 657157986 /nfs/dbraw/zinc/15/79/86/657157986.db2.gz MDJCWILAHUGRFW-NEPJUHHUSA-N 0 3 298.387 -1.668 20 0 CAADHN CN1CCN(CC(=O)N[C@@H]2CCN(CCCO)C2)CC1=O ZINC001014993584 657158194 /nfs/dbraw/zinc/15/81/94/657158194.db2.gz AZVQMWCFHNXHCL-GFCCVEGCSA-N 0 3 298.387 -1.667 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001014999862 657159253 /nfs/dbraw/zinc/15/92/53/657159253.db2.gz MDJCWILAHUGRFW-NWDGAFQWSA-N 0 3 298.387 -1.668 20 0 CAADHN CN1CCN(CC(=O)N[C@@H]2CCN(CCO)C2)CC1=O ZINC001015001110 657159516 /nfs/dbraw/zinc/15/95/16/657159516.db2.gz UHYXHWLOVOAMCJ-LLVKDONJSA-N 0 3 284.360 -2.057 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)CN2CCCNC2=O)C1 ZINC001015080370 657161875 /nfs/dbraw/zinc/16/18/75/657161875.db2.gz GNQXVYNIUBATIQ-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)c2cn(C)c(=O)cn2)C1 ZINC001015329339 657166357 /nfs/dbraw/zinc/16/63/57/657166357.db2.gz LEUYZGXVNMFGBY-UWVGGRQHSA-N 0 3 280.328 -1.035 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)N[C@@H]2CCN(CCO)C2)c1=O ZINC001015488382 657167533 /nfs/dbraw/zinc/16/75/33/657167533.db2.gz STFZYOZICYWQFU-MRVPVSSYSA-N 0 3 282.300 -1.718 20 0 CAADHN CN1C[C@H](C(=O)N[C@H]2CCN(CCCO)C2)NC1=O ZINC001015507440 657169582 /nfs/dbraw/zinc/16/95/82/657169582.db2.gz DAVLLYOUYYMNBZ-VHSXEESVSA-N 0 3 270.333 -1.417 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CCN(CCO)C1 ZINC001015509196 657169693 /nfs/dbraw/zinc/16/96/93/657169693.db2.gz LRALXPKKWAGNSF-SNVBAGLBSA-N 0 3 270.333 -2.399 20 0 CAADHN CO[C@H](C)CN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015509217 657170101 /nfs/dbraw/zinc/17/01/01/657170101.db2.gz LXPDAXRUXTVEGI-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN COC[C@H](C)N1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507525 657170330 /nfs/dbraw/zinc/17/03/30/657170330.db2.gz DUTTYGJMOYQLCM-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507024 657170527 /nfs/dbraw/zinc/17/05/27/657170527.db2.gz AVVHZRNDIDVHKE-MNOVXSKESA-N 0 3 284.360 -2.011 20 0 CAADHN C[C@H](O)CN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001015507030 657171188 /nfs/dbraw/zinc/17/11/88/657171188.db2.gz AVVHZRNDIDVHKE-WDEREUQCSA-N 0 3 284.360 -2.011 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@@H]1CCNC1=O ZINC001015524401 657172864 /nfs/dbraw/zinc/17/28/64/657172864.db2.gz OVSRUJDZJMLWLH-NXEZZACHSA-N 0 3 255.318 -1.305 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@@H]1CCNC1=O ZINC001015524406 657173351 /nfs/dbraw/zinc/17/33/51/657173351.db2.gz OVSRUJDZJMLWLH-VHSXEESVSA-N 0 3 255.318 -1.305 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)[C@@H]1CNC(=O)N1 ZINC001015634089 657176723 /nfs/dbraw/zinc/17/67/23/657176723.db2.gz KYDFPTKIRLTJSV-IUCAKERBSA-N 0 3 256.306 -1.759 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@@H]1CNC(=O)N1 ZINC001015634087 657177226 /nfs/dbraw/zinc/17/72/26/657177226.db2.gz KYDFPTKIRLTJSV-BDAKNGLRSA-N 0 3 256.306 -1.759 20 0 CAADHN C[C@H](O)CN1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001015622271 657177735 /nfs/dbraw/zinc/17/77/35/657177735.db2.gz DMPUMCFFNCICAA-IUCAKERBSA-N 0 3 266.301 -1.045 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCN(C[C@H]2CCNC(=O)CC2)C1 ZINC001015640163 657181702 /nfs/dbraw/zinc/18/17/02/657181702.db2.gz KMLPJOZJZWZRNM-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(CCCO)C2)O1 ZINC001015697115 657182891 /nfs/dbraw/zinc/18/28/91/657182891.db2.gz KRKGFBQGWZIINI-GARJFASQSA-N 0 3 285.344 -1.408 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(CCCO)C2)O1 ZINC001015697116 657183401 /nfs/dbraw/zinc/18/34/01/657183401.db2.gz KRKGFBQGWZIINI-OUAUKWLOSA-N 0 3 285.344 -1.408 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(CCCO)C1 ZINC001015713581 657186122 /nfs/dbraw/zinc/18/61/22/657186122.db2.gz RJRZBCMXDMABJE-BBBLOLIVSA-N 0 3 255.318 -1.319 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001015770314 657186215 /nfs/dbraw/zinc/18/62/15/657186215.db2.gz OEPVMTCIXVLAMN-BDAKNGLRSA-N 0 3 284.316 -1.843 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001015763078 657186756 /nfs/dbraw/zinc/18/67/56/657186756.db2.gz RMMKTYLYACTYHW-VIFPVBQESA-N 0 3 265.317 -1.111 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(CCCO)C1 ZINC001015713579 657187350 /nfs/dbraw/zinc/18/73/50/657187350.db2.gz RJRZBCMXDMABJE-AEJSXWLSSA-N 0 3 255.318 -1.319 20 0 CAADHN Cn1cc(C(=O)N[C@H]2CCN(CCO)C2)c(=O)n(C)c1=O ZINC001015789629 657188607 /nfs/dbraw/zinc/18/86/07/657188607.db2.gz SJWANFRSJXVWAW-VIFPVBQESA-N 0 3 296.327 -2.120 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001015788235 657188634 /nfs/dbraw/zinc/18/86/34/657188634.db2.gz CANXHYYRVGLQIZ-SECBINFHSA-N 0 3 280.328 -1.092 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C1)C1CC(=O)NC(=O)C1 ZINC001015842550 657188737 /nfs/dbraw/zinc/18/87/37/657188737.db2.gz ORKPRLXWWOOPFO-JTQLQIEISA-N 0 3 283.328 -1.388 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)N[C@H]1CCN(CCO)C1 ZINC001015832231 657189016 /nfs/dbraw/zinc/18/90/16/657189016.db2.gz MDMSNGQZKVSVMX-UWVGGRQHSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@@H]1CCN(CCO)C1 ZINC001015865332 657189599 /nfs/dbraw/zinc/18/95/99/657189599.db2.gz WKTZHTIISATVKH-MRVPVSSYSA-N 0 3 270.289 -2.279 20 0 CAADHN CO[C@@H](C)CN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865826 657189735 /nfs/dbraw/zinc/18/97/35/657189735.db2.gz GTKNEMWQCLWJIF-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@@H]1CCN(CCCO)C1 ZINC001015864914 657189927 /nfs/dbraw/zinc/18/99/27/657189927.db2.gz LEMIEILTUJBRNS-SECBINFHSA-N 0 3 284.316 -1.889 20 0 CAADHN COC[C@@H](C)N1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865070 657190595 /nfs/dbraw/zinc/19/05/95/657190595.db2.gz PCPXKIFYTICMJB-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015866295 657190875 /nfs/dbraw/zinc/19/08/75/657190875.db2.gz NXGIZVPOAONFIN-BDAKNGLRSA-N 0 3 284.316 -1.891 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@H]1CCN(CCO)C1 ZINC001015865333 657191184 /nfs/dbraw/zinc/19/11/84/657191184.db2.gz WKTZHTIISATVKH-QMMMGPOBSA-N 0 3 270.289 -2.279 20 0 CAADHN COC[C@H](C)N1CC[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015865071 657191342 /nfs/dbraw/zinc/19/13/42/657191342.db2.gz PCPXKIFYTICMJB-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N[C@@H]1CCN(CCO)C1 ZINC001015895052 657193120 /nfs/dbraw/zinc/19/31/20/657193120.db2.gz CEKYRDZDYKZZMB-SECBINFHSA-N 0 3 296.327 -1.078 20 0 CAADHN CC[C@@H](C(N)=O)N1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015970025 657194589 /nfs/dbraw/zinc/19/45/89/657194589.db2.gz GTZHDXALQNVHEX-BDAKNGLRSA-N 0 3 280.332 -1.198 20 0 CAADHN CN1C(=O)CN(CC(=O)N[C@H]2CCN(CCCO)C2)C1=O ZINC001015988400 657195036 /nfs/dbraw/zinc/19/50/36/657195036.db2.gz XDCQLDOCHFLGNM-JTQLQIEISA-N 0 3 298.343 -1.547 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015970028 657195092 /nfs/dbraw/zinc/19/50/92/657195092.db2.gz GTZHDXALQNVHEX-RKDXNWHRSA-N 0 3 280.332 -1.198 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001015970026 657195359 /nfs/dbraw/zinc/19/53/59/657195359.db2.gz GTZHDXALQNVHEX-DTWKUNHWSA-N 0 3 280.332 -1.198 20 0 CAADHN O=C(Cc1nnc[nH]1)N[C@H]1CCN([C@@H]2CCCNC2=O)C1 ZINC001015967812 657196436 /nfs/dbraw/zinc/19/64/36/657196436.db2.gz NHXGZKXYAOBMFS-VHSXEESVSA-N 0 3 292.343 -1.184 20 0 CAADHN Cc1nn(CC(=O)N[C@@H]2CCN(CCO)C2)c(=O)n1C ZINC001016151526 657198158 /nfs/dbraw/zinc/19/81/58/657198158.db2.gz ZPUSMVXAIXGKOI-SNVBAGLBSA-N 0 3 283.332 -1.927 20 0 CAADHN Cc1nn(CC(=O)N[C@H]2CCN(C[C@@H](C)O)C2)c(=O)n1C ZINC001016140173 657199105 /nfs/dbraw/zinc/19/91/05/657199105.db2.gz FVSSRZZDLMWFEO-KOLCDFICSA-N 0 3 297.359 -1.538 20 0 CAADHN Cc1ccc(=O)n(CC(=O)N[C@@H]2CCN(CCO)C2)n1 ZINC001016055383 657199130 /nfs/dbraw/zinc/19/91/30/657199130.db2.gz DACQMRIDBLYKAT-LLVKDONJSA-N 0 3 280.328 -1.265 20 0 CAADHN Cc1nn(CC(=O)N[C@@H]2CCN(C[C@H](C)O)C2)c(=O)n1C ZINC001016140167 657199246 /nfs/dbraw/zinc/19/92/46/657199246.db2.gz FVSSRZZDLMWFEO-GXSJLCMTSA-N 0 3 297.359 -1.538 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200673 657199969 /nfs/dbraw/zinc/19/99/69/657199969.db2.gz YAOREICLGBUEMY-VIFPVBQESA-N 0 3 284.316 -1.625 20 0 CAADHN COC[C@H](C)N1CC[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200687 657200465 /nfs/dbraw/zinc/20/04/65/657200465.db2.gz YGOAIHCHTHFKSS-UWVGGRQHSA-N 0 3 298.343 -1.236 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001016180157 657200898 /nfs/dbraw/zinc/20/08/98/657200898.db2.gz FJZLPEOEQRLRER-NXEZZACHSA-N 0 3 280.328 -1.035 20 0 CAADHN COC[C@H](C)N1CC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001016200688 657200938 /nfs/dbraw/zinc/20/09/38/657200938.db2.gz YGOAIHCHTHFKSS-VHSXEESVSA-N 0 3 298.343 -1.236 20 0 CAADHN Cn1nc(C(=O)N[C@@H]2CCN(CCCO)C2)ccc1=O ZINC001016189842 657201359 /nfs/dbraw/zinc/20/13/59/657201359.db2.gz HCVCCCRECFTKIB-SNVBAGLBSA-N 0 3 280.328 -1.033 20 0 CAADHN Cn1nc(C(=O)N[C@H]2CCN(CCCO)C2)ccc1=O ZINC001016189841 657201934 /nfs/dbraw/zinc/20/19/34/657201934.db2.gz HCVCCCRECFTKIB-JTQLQIEISA-N 0 3 280.328 -1.033 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CCN(CCO)C2)c(=O)[nH]c1=O ZINC001016238797 657202394 /nfs/dbraw/zinc/20/23/94/657202394.db2.gz GYDJRJXRLIRUSR-MRVPVSSYSA-N 0 3 282.300 -1.718 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001016209241 657203036 /nfs/dbraw/zinc/20/30/36/657203036.db2.gz SDIRECVCMAFQGI-ZJUUUORDSA-N 0 3 283.328 -1.293 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N[C@H]1CCN(CCCO)C1 ZINC001016208745 657204189 /nfs/dbraw/zinc/20/41/89/657204189.db2.gz NTAOBJYRUOYMDG-JTQLQIEISA-N 0 3 283.328 -1.292 20 0 CAADHN Cn1cc(C(=O)N[C@H]2CCN(CCO)C2)c(=O)[nH]c1=O ZINC001016238798 657204596 /nfs/dbraw/zinc/20/45/96/657204596.db2.gz GYDJRJXRLIRUSR-QMMMGPOBSA-N 0 3 282.300 -1.718 20 0 CAADHN C[C@@H](O)CN1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001016241212 657204713 /nfs/dbraw/zinc/20/47/13/657204713.db2.gz YSJCQEYMBUXHCN-RKDXNWHRSA-N 0 3 296.327 -1.329 20 0 CAADHN CN1CC(=O)N(CC(=O)N[C@@H]2CCN(CCCO)C2)C1=O ZINC001016201014 657204804 /nfs/dbraw/zinc/20/48/04/657204804.db2.gz AVAHOZKLIUQIMB-SNVBAGLBSA-N 0 3 298.343 -1.547 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C1)[C@H]1CCS(=O)(=O)N1 ZINC001016284940 657207370 /nfs/dbraw/zinc/20/73/70/657207370.db2.gz VNHIOGZKEUBNDZ-NXEZZACHSA-N 0 3 291.373 -1.749 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N[C@H]1CCN(CCO)C1 ZINC001016438535 657210263 /nfs/dbraw/zinc/21/02/63/657210263.db2.gz RBZDBKQSGAKPGA-IUCAKERBSA-N 0 3 269.301 -1.778 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CCN(CCO)C1 ZINC001016438531 657211032 /nfs/dbraw/zinc/21/10/32/657211032.db2.gz RBZDBKQSGAKPGA-DTWKUNHWSA-N 0 3 269.301 -1.778 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N[C@H]1CCN(CCO)C1 ZINC001016438527 657211198 /nfs/dbraw/zinc/21/11/98/657211198.db2.gz RBZDBKQSGAKPGA-BDAKNGLRSA-N 0 3 269.301 -1.778 20 0 CAADHN NC(=O)C(=O)N[C@H]1CC12CCN([C@H]1CCCNC1=O)CC2 ZINC001016801579 657212398 /nfs/dbraw/zinc/21/23/98/657212398.db2.gz YXLBLDFNKRMVPG-UWVGGRQHSA-N 0 3 294.355 -1.279 20 0 CAADHN CC[C@@H](C(N)=O)N1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016802222 657213115 /nfs/dbraw/zinc/21/31/15/657213115.db2.gz DGLQUUZABCMKHD-DTWKUNHWSA-N 0 3 282.344 -1.294 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CC12CCN([C@@H]1CCCNC1=O)CC2 ZINC001016801578 657213180 /nfs/dbraw/zinc/21/31/80/657213180.db2.gz YXLBLDFNKRMVPG-NXEZZACHSA-N 0 3 294.355 -1.279 20 0 CAADHN NC(=O)C(=O)N[C@H]1CC12CCN([C@@H]1CCCNC1=O)CC2 ZINC001016801581 657213378 /nfs/dbraw/zinc/21/33/78/657213378.db2.gz YXLBLDFNKRMVPG-ZJUUUORDSA-N 0 3 294.355 -1.279 20 0 CAADHN CC[C@H](C(N)=O)N1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016802221 657213554 /nfs/dbraw/zinc/21/35/54/657213554.db2.gz DGLQUUZABCMKHD-BDAKNGLRSA-N 0 3 282.344 -1.294 20 0 CAADHN CNC(=O)[C@H](C)N1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016805370 657214101 /nfs/dbraw/zinc/21/41/01/657214101.db2.gz XCGIGFHOMCCOTR-DTWKUNHWSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1CCC2(C[C@H]2NC(=O)C(N)=O)CC1 ZINC001016803364 657214639 /nfs/dbraw/zinc/21/46/39/657214639.db2.gz LYEMNYRNOVVBDX-VHSXEESVSA-N 0 3 296.371 -1.081 20 0 CAADHN CNC(=O)[C@H](C)N1CCC2(C[C@@H]2NC(=O)C(N)=O)CC1 ZINC001016805371 657214789 /nfs/dbraw/zinc/21/47/89/657214789.db2.gz XCGIGFHOMCCOTR-IUCAKERBSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@H]1CCN(CC(=O)NC2CC(N(C)C(=O)C(N)=O)C2)C1 ZINC001016953291 657216168 /nfs/dbraw/zinc/21/61/68/657216168.db2.gz ZZBGVHRYKIIPSH-WHXUTIOJSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CCN(CC(=O)N(C)C2CC(NC(=O)C(N)=O)C2)C1 ZINC001017038143 657217514 /nfs/dbraw/zinc/21/75/14/657217514.db2.gz BBPZIWWSGOEFAM-KPPDAEKUSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)[C@H]1CCN(C)C1=O ZINC001017196709 657218160 /nfs/dbraw/zinc/21/81/60/657218160.db2.gz GKFWJARWPXJFKT-MNOVXSKESA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C[C@@H]1CCCN(C(=O)C(N)=O)C1)[C@H]1CCN(C)C1=O ZINC001017196710 657218294 /nfs/dbraw/zinc/21/82/94/657218294.db2.gz GKFWJARWPXJFKT-QWRGUYRKSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)[C@@H]1CCNC1=O ZINC001017200059 657218611 /nfs/dbraw/zinc/21/86/11/657218611.db2.gz NKEDKVBWOBFENE-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C[C@H]1CCCN(C(=O)C(N)=O)C1)[C@H]1CCNC1=O ZINC001017200062 657218963 /nfs/dbraw/zinc/21/89/63/657218963.db2.gz NKEDKVBWOBFENE-ZJUUUORDSA-N 0 3 282.344 -1.469 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018480299 657229492 /nfs/dbraw/zinc/22/94/92/657229492.db2.gz RMMINXQWMJUNOJ-DTWKUNHWSA-N 0 3 279.304 -2.248 20 0 CAADHN CN1CC[C@H](N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC001018479330 657229844 /nfs/dbraw/zinc/22/98/44/657229844.db2.gz CFZSJTCDKZQZEP-UWVGGRQHSA-N 0 3 293.331 -1.906 20 0 CAADHN CC(=O)N1CC[C@H](NCC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC001018382666 657230199 /nfs/dbraw/zinc/23/01/99/657230199.db2.gz NRRROXOQWCJSHF-RYUDHWBXSA-N 0 3 296.371 -1.079 20 0 CAADHN O=C(c1ccc(=O)[nH]n1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018458924 657230488 /nfs/dbraw/zinc/23/04/88/657230488.db2.gz XCZXRCBTCVFOAU-IUCAKERBSA-N 0 3 291.311 -1.125 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCN(C(=O)Cn3cnnn3)C2)C1=O ZINC001018479336 657230661 /nfs/dbraw/zinc/23/06/61/657230661.db2.gz CFZSJTCDKZQZEP-VHSXEESVSA-N 0 3 293.331 -1.906 20 0 CAADHN Cn1nccc1CN[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001018480018 657230799 /nfs/dbraw/zinc/23/07/99/657230799.db2.gz OQMGRXOCSLZLFS-JTQLQIEISA-N 0 3 290.331 -1.203 20 0 CAADHN O=C(c1ccc(=O)[nH]n1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018458923 657230949 /nfs/dbraw/zinc/23/09/49/657230949.db2.gz XCZXRCBTCVFOAU-DTWKUNHWSA-N 0 3 291.311 -1.125 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001018486225 657231523 /nfs/dbraw/zinc/23/15/23/657231523.db2.gz YWECCEPNQVGLPF-VIFPVBQESA-N 0 3 268.317 -1.715 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)CS(C)(=O)=O)C1)C(N)=O ZINC001018590534 657231914 /nfs/dbraw/zinc/23/19/14/657231914.db2.gz CSTFSAKXUFWFLE-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cnns2)C1 ZINC001018568660 657232020 /nfs/dbraw/zinc/23/20/20/657232020.db2.gz HLGKQYOHLHLMIC-LURJTMIESA-N 0 3 255.303 -1.173 20 0 CAADHN CS(=O)(=O)CC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018586492 657232121 /nfs/dbraw/zinc/23/21/21/657232121.db2.gz SEFIBDBMVZTYPT-DTWKUNHWSA-N 0 3 289.357 -1.890 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)C(N)=O ZINC001018621547 657232427 /nfs/dbraw/zinc/23/24/27/657232427.db2.gz KUDPSBRKRAQTHR-HRDYMLBCSA-N 0 3 268.317 -1.671 20 0 CAADHN Cn1cc(CC(=O)N2CC[C@H](NCC(N)=O)C2)cn1 ZINC001018607244 657232619 /nfs/dbraw/zinc/23/26/19/657232619.db2.gz MWPGAQTVHSXMFN-JTQLQIEISA-N 0 3 265.317 -1.362 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@H]2COCCO2)C1)N1CCC1 ZINC001018547669 657232825 /nfs/dbraw/zinc/23/28/25/657232825.db2.gz ZXNLWPZLONKGQC-NWDGAFQWSA-N 0 3 297.355 -1.175 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCn2cccn2)C1 ZINC001018532601 657233037 /nfs/dbraw/zinc/23/30/37/657233037.db2.gz CLDDOJPMPWSPOC-JTQLQIEISA-N 0 3 265.317 -1.051 20 0 CAADHN Cc1cnn(CC(=O)N2CC[C@H](NCC(N)=O)C2)c1 ZINC001018585422 657234266 /nfs/dbraw/zinc/23/42/66/657234266.db2.gz BLZLAQDJCKPPST-JTQLQIEISA-N 0 3 265.317 -1.133 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001018625413 657235567 /nfs/dbraw/zinc/23/55/67/657235567.db2.gz SCPWLSPZPPPZBD-GARJFASQSA-N 0 3 294.355 -1.266 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001018646680 657235605 /nfs/dbraw/zinc/23/56/05/657235605.db2.gz LOAQNXMYNHQFCO-IUCAKERBSA-N 0 3 268.317 -1.669 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H](NCC(=O)N2CCCC2)C1 ZINC001018648672 657235742 /nfs/dbraw/zinc/23/57/42/657235742.db2.gz IEGIHZWBFZCYGY-JTQLQIEISA-N 0 3 282.344 -1.325 20 0 CAADHN CCN1CC[C@@H](N[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC001018647755 657235962 /nfs/dbraw/zinc/23/59/62/657235962.db2.gz ZGJWSYMHWSRBFK-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CC[C@H](NCc2nnnn2C)C1 ZINC001018628940 657237732 /nfs/dbraw/zinc/23/77/32/657237732.db2.gz UEHSEWWXEUUBKU-QWRGUYRKSA-N 0 3 293.375 -1.005 20 0 CAADHN CCN1CC[C@H](N[C@H]2CCN(C(=O)CC(N)=O)C2)C1=O ZINC001018647754 657238169 /nfs/dbraw/zinc/23/81/69/657238169.db2.gz ZGJWSYMHWSRBFK-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018647775 657238434 /nfs/dbraw/zinc/23/84/34/657238434.db2.gz ZXLFXHWYNVGJLI-JGVFFNPUSA-N 0 3 254.290 -2.059 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)CN2CCOCC2)C1)C(N)=O ZINC001018740560 657239679 /nfs/dbraw/zinc/23/96/79/657239679.db2.gz XLQKEQJPBUJUEJ-NWDGAFQWSA-N 0 3 298.387 -1.227 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001018666029 657240611 /nfs/dbraw/zinc/24/06/11/657240611.db2.gz YXWFGNAZWYXCGN-VHSXEESVSA-N 0 3 270.333 -2.007 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001018708226 657241012 /nfs/dbraw/zinc/24/10/12/657241012.db2.gz DNCFINTXTXFVCZ-IUCAKERBSA-N 0 3 268.317 -1.812 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CN2CN=NC2=O)C1)C(N)=O ZINC001018745771 657241031 /nfs/dbraw/zinc/24/10/31/657241031.db2.gz VEFHMCBSLPTWFO-SFYZADRCSA-N 0 3 282.304 -1.952 20 0 CAADHN Cc1cc(CC(=O)N2CC[C@H](NCC(N)=O)C2)[nH]n1 ZINC001018701898 657241180 /nfs/dbraw/zinc/24/11/80/657241180.db2.gz YIHQZKOGKYZCII-VIFPVBQESA-N 0 3 265.317 -1.064 20 0 CAADHN Cc1c(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)C2)nnn1C ZINC001018658774 657241224 /nfs/dbraw/zinc/24/12/24/657241224.db2.gz JSQDPZKJZANIOP-APPZFPTMSA-N 0 3 280.332 -1.199 20 0 CAADHN O=C(CN1CN=NC1=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018748362 657241291 /nfs/dbraw/zinc/24/12/91/657241291.db2.gz WXQIAHGVFPZAIZ-IUCAKERBSA-N 0 3 294.315 -1.937 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001018747512 657241345 /nfs/dbraw/zinc/24/13/45/657241345.db2.gz GFUMXZJNDYBIEZ-ZETCQYMHSA-N 0 3 268.277 -2.341 20 0 CAADHN C[C@H](C(=O)N1CC[C@H](NCC(N)=O)C1)n1cncn1 ZINC001018739710 657241869 /nfs/dbraw/zinc/24/18/69/657241869.db2.gz IKOYHOYQLDTWNL-BDAKNGLRSA-N 0 3 266.305 -1.485 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)c2cnnn2C)C1)C(N)=O ZINC001018794687 657242291 /nfs/dbraw/zinc/24/22/91/657242291.db2.gz LQVNFAHJANJMCP-IUCAKERBSA-N 0 3 280.332 -1.117 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)nn1 ZINC001018806114 657242565 /nfs/dbraw/zinc/24/25/65/657242565.db2.gz WTHUYBLAULIRHV-ZETCQYMHSA-N 0 3 252.278 -1.896 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1)C(N)=O ZINC001018763474 657242653 /nfs/dbraw/zinc/24/26/53/657242653.db2.gz BWLVLFRFWGFRDH-YUMQZZPRSA-N 0 3 282.300 -1.344 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018795224 657242769 /nfs/dbraw/zinc/24/27/69/657242769.db2.gz RVBJFECACYVNRR-DTWKUNHWSA-N 0 3 278.316 -1.492 20 0 CAADHN Cn1nncc1C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018795230 657242940 /nfs/dbraw/zinc/24/29/40/657242940.db2.gz RVBJFECACYVNRR-IUCAKERBSA-N 0 3 278.316 -1.492 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](NCC(N)=O)C2)o1 ZINC001018806698 657243011 /nfs/dbraw/zinc/24/30/11/657243011.db2.gz FXIHCFBEFIDOKC-QMMMGPOBSA-N 0 3 267.289 -1.404 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](N[C@H]3CCN(C)C3=O)C2)n1 ZINC001018803562 657243064 /nfs/dbraw/zinc/24/30/64/657243064.db2.gz UGEVQJSLKWXEEO-UWVGGRQHSA-N 0 3 292.343 -1.150 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CCn2ccnn2)C1)C(N)=O ZINC001018769399 657243137 /nfs/dbraw/zinc/24/31/37/657243137.db2.gz MNDUKXNAXYOJEQ-UWVGGRQHSA-N 0 3 280.332 -1.268 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)n[nH]1 ZINC001018787514 657243232 /nfs/dbraw/zinc/24/32/32/657243232.db2.gz KRJUORLPNCISNO-DTWKUNHWSA-N 0 3 294.315 -1.088 20 0 CAADHN Cn1nccc1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018778518 657243612 /nfs/dbraw/zinc/24/36/12/657243612.db2.gz LJJPKXXOUJXUNC-VIFPVBQESA-N 0 3 265.317 -1.362 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CCn2ccnn2)C1)C(N)=O ZINC001018769400 657244044 /nfs/dbraw/zinc/24/40/44/657244044.db2.gz MNDUKXNAXYOJEQ-ZJUUUORDSA-N 0 3 280.332 -1.268 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cc(=O)n(C)o2)C1)C(N)=O ZINC001018763472 657244299 /nfs/dbraw/zinc/24/42/99/657244299.db2.gz BWLVLFRFWGFRDH-SFYZADRCSA-N 0 3 282.300 -1.344 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](N[C@H]3CCN(C)C3=O)C2)nn1 ZINC001018807493 657245161 /nfs/dbraw/zinc/24/51/61/657245161.db2.gz SROOZZQUFYQDLA-UWVGGRQHSA-N 0 3 292.343 -1.150 20 0 CAADHN O=C(CCn1ccnn1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018770749 657245307 /nfs/dbraw/zinc/24/53/07/657245307.db2.gz KLGABWKQYSCTJR-QWRGUYRKSA-N 0 3 292.343 -1.253 20 0 CAADHN Cn1cc(CN[C@H]2CCN(C(=O)Cn3ncnn3)C2)cn1 ZINC001018849598 657246058 /nfs/dbraw/zinc/24/60/58/657246058.db2.gz FYEOGEROUZWSJF-NSHDSACASA-N 0 3 290.331 -1.203 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCN(C(=O)Cn3ncnn3)C2)C1=O ZINC001018852368 657246345 /nfs/dbraw/zinc/24/63/45/657246345.db2.gz HJQGQLKFMSTUKZ-VHSXEESVSA-N 0 3 293.331 -1.906 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001018810187 657246460 /nfs/dbraw/zinc/24/64/60/657246460.db2.gz UVHZWGZIJYGBIP-ZETCQYMHSA-N 0 3 252.278 -1.896 20 0 CAADHN CCn1ncc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)n1 ZINC001018810131 657247242 /nfs/dbraw/zinc/24/72/42/657247242.db2.gz SGEWPAMTHVKUKD-UWVGGRQHSA-N 0 3 292.343 -1.009 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](N[C@@H](C)C(N)=O)C2)o1 ZINC001018808421 657247590 /nfs/dbraw/zinc/24/75/90/657247590.db2.gz KJLJEEAIQVOAAF-CBAPKCEASA-N 0 3 281.316 -1.015 20 0 CAADHN Cc1cccn(CC(=O)N2CC[C@H](NCC(N)=O)C2)c1=O ZINC001018841731 657247697 /nfs/dbraw/zinc/24/76/97/657247697.db2.gz KUKHKVRYTVNMKU-NSHDSACASA-N 0 3 292.339 -1.167 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)n1 ZINC001018810560 657247736 /nfs/dbraw/zinc/24/77/36/657247736.db2.gz CTJYAXPELZUJJI-VHSXEESVSA-N 0 3 292.343 -1.102 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)n1 ZINC001018810558 657247877 /nfs/dbraw/zinc/24/78/77/657247877.db2.gz CTJYAXPELZUJJI-UWVGGRQHSA-N 0 3 292.343 -1.102 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001018851125 657247882 /nfs/dbraw/zinc/24/78/82/657247882.db2.gz MDCGTNQWVVPVOI-DTWKUNHWSA-N 0 3 279.304 -2.248 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001018851332 657247973 /nfs/dbraw/zinc/24/79/73/657247973.db2.gz QQRRKCIHBOAJQK-ZETCQYMHSA-N 0 3 253.266 -2.651 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)Cn2ncnn2)C1)N1CCC1 ZINC001018850083 657248048 /nfs/dbraw/zinc/24/80/48/657248048.db2.gz NIVOYYXHCLTIRL-JTQLQIEISA-N 0 3 293.331 -1.904 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CO[C@@H]2CCOC2)C1 ZINC001018839040 657248159 /nfs/dbraw/zinc/24/81/59/657248159.db2.gz KZAPJIWWUJSUBT-VHSXEESVSA-N 0 3 271.317 -1.532 20 0 CAADHN O=C(Cn1ncnn1)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001018850893 657248184 /nfs/dbraw/zinc/24/81/84/657248184.db2.gz GRJALRNKVYVVSF-UWVGGRQHSA-N 0 3 293.331 -1.858 20 0 CAADHN COCCn1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)nn1 ZINC001018835644 657248412 /nfs/dbraw/zinc/24/84/12/657248412.db2.gz LXLKPMIKUWZZCU-VIFPVBQESA-N 0 3 296.331 -1.786 20 0 CAADHN Cc1nnc(CC(=O)N2CC[C@H](N[C@H](C)C(N)=O)C2)o1 ZINC001018808420 657248516 /nfs/dbraw/zinc/24/85/16/657248516.db2.gz KJLJEEAIQVOAAF-APPZFPTMSA-N 0 3 281.316 -1.015 20 0 CAADHN Cc1nc(CN[C@H]2CCN(C(=O)Cn3ncnn3)C2)n[nH]1 ZINC001018852014 657248635 /nfs/dbraw/zinc/24/86/35/657248635.db2.gz ZBCKPOBFAJLUIG-VIFPVBQESA-N 0 3 291.319 -1.510 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CO[C@H]2CCOC2)C1 ZINC001018839039 657248685 /nfs/dbraw/zinc/24/86/85/657248685.db2.gz KZAPJIWWUJSUBT-UWVGGRQHSA-N 0 3 271.317 -1.532 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)n1 ZINC001018808406 657248837 /nfs/dbraw/zinc/24/88/37/657248837.db2.gz FPXCSARWJNOPIT-DTWKUNHWSA-N 0 3 278.316 -1.492 20 0 CAADHN CCn1nncc1C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001018813030 657248933 /nfs/dbraw/zinc/24/89/33/657248933.db2.gz AMUTXCQTQRZOJG-UWVGGRQHSA-N 0 3 292.343 -1.009 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)n1 ZINC001018809449 657249018 /nfs/dbraw/zinc/24/90/18/657249018.db2.gz KFQFONAMHWKBKL-JTQLQIEISA-N 0 3 292.343 -1.149 20 0 CAADHN CC(C)N1C[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC1=O ZINC001018933115 657249456 /nfs/dbraw/zinc/24/94/56/657249456.db2.gz RGWSXFIDRHACDQ-QWRGUYRKSA-N 0 3 296.371 -1.081 20 0 CAADHN CN1CC[C@H](N[C@H]2CCN(C(=O)Cn3nccn3)C2)C1=O ZINC001018914457 657249536 /nfs/dbraw/zinc/24/95/36/657249536.db2.gz LPOIUVAXAIYWNB-QWRGUYRKSA-N 0 3 292.343 -1.301 20 0 CAADHN CC(C)(C)n1nnc(C(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001018877383 657249780 /nfs/dbraw/zinc/24/97/80/657249780.db2.gz PIYDGSJSTAMWOX-QMMMGPOBSA-N 0 3 295.347 -1.283 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)Cn2nccn2)C1)C(N)=O ZINC001018914258 657249877 /nfs/dbraw/zinc/24/98/77/657249877.db2.gz BHCCVPWGZGBESO-UWVGGRQHSA-N 0 3 280.332 -1.268 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)Cn2ncnn2)C1)C(N)=O ZINC001018853138 657250206 /nfs/dbraw/zinc/25/02/06/657250206.db2.gz SHLRVUDOULLQCY-IUCAKERBSA-N 0 3 281.320 -1.873 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001018860493 657250248 /nfs/dbraw/zinc/25/02/48/657250248.db2.gz GKQAWRTXTKBYNE-KXUCPTDWSA-N 0 3 282.344 -1.423 20 0 CAADHN COc1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)ncn1 ZINC001018853351 657250741 /nfs/dbraw/zinc/25/07/41/657250741.db2.gz WCNUIIFQKRHNCF-QMMMGPOBSA-N 0 3 279.300 -1.225 20 0 CAADHN CC[C@]1(C(=O)N2CC[C@H](NCC(N)=O)C2)CCNC1=O ZINC001018992351 657251174 /nfs/dbraw/zinc/25/11/74/657251174.db2.gz ZSKQCWKPUNCOCC-ZANVPECISA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001018959069 657251521 /nfs/dbraw/zinc/25/15/21/657251521.db2.gz JEUVJJZMGRTRRE-BDAKNGLRSA-N 0 3 268.317 -1.812 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001018956619 657251533 /nfs/dbraw/zinc/25/15/33/657251533.db2.gz INFFYSMSPAXLMX-ZJUUUORDSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2ccc3n[nH]nc3n2)C1 ZINC001018941655 657251853 /nfs/dbraw/zinc/25/18/53/657251853.db2.gz BRWDWHICYXPZLV-ZETCQYMHSA-N 0 3 289.299 -1.358 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001018998304 657251956 /nfs/dbraw/zinc/25/19/56/657251956.db2.gz ZLZGPANNYWTTBK-ZETCQYMHSA-N 0 3 256.306 -1.826 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1)C(N)=O ZINC001018974579 657252037 /nfs/dbraw/zinc/25/20/37/657252037.db2.gz KRBLVMKCGUAOFT-BDAKNGLRSA-N 0 3 293.327 -1.047 20 0 CAADHN O=C(c1cn[nH]c(=O)c1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019004992 657252102 /nfs/dbraw/zinc/25/21/02/657252102.db2.gz JFMDKGTUXCPCEA-UWVGGRQHSA-N 0 3 291.311 -1.125 20 0 CAADHN CC[C@@]1(C(=O)N2CC[C@H](NCC(N)=O)C2)CCNC1=O ZINC001018992350 657252114 /nfs/dbraw/zinc/25/21/14/657252114.db2.gz ZSKQCWKPUNCOCC-TVQRCGJNSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cn2cc(C3CC3)nn2)C1 ZINC001018963068 657252180 /nfs/dbraw/zinc/25/21/80/657252180.db2.gz XTRPMFUWZKXFLS-JTQLQIEISA-N 0 3 292.343 -1.169 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001018997154 657252347 /nfs/dbraw/zinc/25/23/47/657252347.db2.gz ZIUSXCDVIZGSOB-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cn3c(n2)COCC3)C1 ZINC001019038769 657252907 /nfs/dbraw/zinc/25/29/07/657252907.db2.gz ARJZSVMCZPTGPT-VIFPVBQESA-N 0 3 293.327 -1.297 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1)C(N)=O ZINC001019009740 657253098 /nfs/dbraw/zinc/25/30/98/657253098.db2.gz NCTIMXPPPXFGSV-LPEHRKFASA-N 0 3 282.344 -1.281 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C2CCC(C(N)=O)CC2)C1 ZINC001019073129 657253122 /nfs/dbraw/zinc/25/31/22/657253122.db2.gz RKCYJLNTJMXHCH-ILDUYXDCSA-N 0 3 296.371 -1.046 20 0 CAADHN CN1CCN(CC(=O)N2CC[C@H](NCC(N)=O)C2)CC1=O ZINC001019060018 657253153 /nfs/dbraw/zinc/25/31/53/657253153.db2.gz YEBJGFKHRWBPBG-JTQLQIEISA-N 0 3 297.359 -2.564 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001019013248 657253427 /nfs/dbraw/zinc/25/34/27/657253427.db2.gz SNFGNRMYESEGOG-DTWKUNHWSA-N 0 3 268.317 -1.669 20 0 CAADHN CN1CC[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CC1=O ZINC001019052748 657253793 /nfs/dbraw/zinc/25/37/93/657253793.db2.gz NPCSKEDFYVVGDW-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN CN1CCN(CC(=O)N2CC[C@H](NCCF)C2)CC1=O ZINC001019059676 657253893 /nfs/dbraw/zinc/25/38/93/657253893.db2.gz HBSVIIPGLZVJTQ-NSHDSACASA-N 0 3 286.351 -1.080 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2ncn(C)c2=O)C1)C(N)=O ZINC001019063126 657253949 /nfs/dbraw/zinc/25/39/49/657253949.db2.gz BCNQPLGICKWIIQ-IUCAKERBSA-N 0 3 296.331 -2.354 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019066791 657254040 /nfs/dbraw/zinc/25/40/40/657254040.db2.gz WVWQZPFNPSMYJK-QWRGUYRKSA-N 0 3 284.360 -1.617 20 0 CAADHN COc1c[nH]c(C(=O)N2CC[C@H](NCC(N)=O)C2)cc1=O ZINC001019149540 657254757 /nfs/dbraw/zinc/25/47/57/657254757.db2.gz ZUDMWZUQKCEHKE-QMMMGPOBSA-N 0 3 294.311 -1.327 20 0 CAADHN COc1cnc(C(=O)N2CC[C@H](NCC(N)=O)C2)nc1 ZINC001019124988 657254980 /nfs/dbraw/zinc/25/49/80/657254980.db2.gz NBSFCQFUARPLBB-QMMMGPOBSA-N 0 3 279.300 -1.225 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CN2CCCNC2=O)C1 ZINC001019085941 657255051 /nfs/dbraw/zinc/25/50/51/657255051.db2.gz CSKUTBNRNUSQHH-VIFPVBQESA-N 0 3 283.332 -1.923 20 0 CAADHN CC[C@H](C(=O)N1CC2(C1)CCN(C(=O)C(N)=O)C2)N(C)C ZINC001019151480 657255143 /nfs/dbraw/zinc/25/51/43/657255143.db2.gz BFWUBIQKHGJPKS-SNVBAGLBSA-N 0 3 296.371 -1.127 20 0 CAADHN COc1nccc(C(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001019130462 657255342 /nfs/dbraw/zinc/25/53/42/657255342.db2.gz DBDXZIYYTQZWDQ-QMMMGPOBSA-N 0 3 279.300 -1.225 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCN2C(=O)CCC2=O)C1 ZINC001019110717 657255386 /nfs/dbraw/zinc/25/53/86/657255386.db2.gz CKVOLDPOSDDASD-VIFPVBQESA-N 0 3 296.327 -1.799 20 0 CAADHN Cn1cnn(CCC(=O)N2CC[C@H](NCC(N)=O)C2)c1=O ZINC001019188319 657255736 /nfs/dbraw/zinc/25/57/36/657255736.db2.gz LAAHLUFJNDASFL-VIFPVBQESA-N 0 3 296.331 -2.352 20 0 CAADHN C[C@]1(C(=O)N2CC[C@H](NCC(N)=O)C2)CNC(=O)C1 ZINC001019184257 657255802 /nfs/dbraw/zinc/25/58/02/657255802.db2.gz JANONJAHHKGEEE-QPUJVOFHSA-N 0 3 268.317 -1.812 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CN2CCCCC2=O)C1 ZINC001019083215 657255882 /nfs/dbraw/zinc/25/58/82/657255882.db2.gz KXKBJHQOMXYIBL-JTQLQIEISA-N 0 3 282.344 -1.325 20 0 CAADHN COc1cc(C(=O)N2CC[C@H](NCC(N)=O)C2)nn1C ZINC001019123364 657255998 /nfs/dbraw/zinc/25/59/98/657255998.db2.gz IYOYJYKZXRVUAG-QMMMGPOBSA-N 0 3 281.316 -1.282 20 0 CAADHN Cn1c(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)c[nH]c1=O ZINC001019239005 657256925 /nfs/dbraw/zinc/25/69/25/657256925.db2.gz BAOUIDYIDQAXPS-DTWKUNHWSA-N 0 3 293.327 -1.182 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1)N1CCC1 ZINC001019234637 657257003 /nfs/dbraw/zinc/25/70/03/657257003.db2.gz NSMMMKVGPHIELN-WDEREUQCSA-N 0 3 294.355 -1.455 20 0 CAADHN Cn1c(C(=O)N2CC[C@H](NCC(N)=O)C2)c[nH]c1=O ZINC001019239445 657257534 /nfs/dbraw/zinc/25/75/34/657257534.db2.gz SHZZHPQCTQVBSK-ZETCQYMHSA-N 0 3 267.289 -1.585 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2ccn3nnnc3c2)C1 ZINC001019231172 657257668 /nfs/dbraw/zinc/25/76/68/657257668.db2.gz QIDQEJYEJIAQBR-VIFPVBQESA-N 0 3 289.299 -1.586 20 0 CAADHN CN1C(=O)CC[C@H]1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019228602 657257960 /nfs/dbraw/zinc/25/79/60/657257960.db2.gz CBCYMSLWMYIKAP-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CN2CCNC(=O)C2)C1)C(N)=O ZINC001019234477 657258162 /nfs/dbraw/zinc/25/81/62/657258162.db2.gz JTLPAXMBZTYUQP-UWVGGRQHSA-N 0 3 297.359 -2.518 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)n1 ZINC001019257910 657258688 /nfs/dbraw/zinc/25/86/88/657258688.db2.gz KSMGOVPEZWXLAK-VIFPVBQESA-N 0 3 293.331 -1.754 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001019276329 657258799 /nfs/dbraw/zinc/25/87/99/657258799.db2.gz POTARNYIDVVIBM-VIFPVBQESA-N 0 3 252.274 -1.107 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H](NCc3ccnn3C)C2)n1 ZINC001019258808 657259055 /nfs/dbraw/zinc/25/90/55/657259055.db2.gz SIGIAJCWTJFLLQ-VIFPVBQESA-N 0 3 290.331 -1.052 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1)C(N)=O ZINC001019301816 657259098 /nfs/dbraw/zinc/25/90/98/657259098.db2.gz DQCQPJUCHOPPDB-IUCAKERBSA-N 0 3 293.327 -1.162 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001019300840 657259118 /nfs/dbraw/zinc/25/91/18/657259118.db2.gz WDAUIVOSCWQDDJ-ZETCQYMHSA-N 0 3 265.273 -1.941 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001019263308 657259160 /nfs/dbraw/zinc/25/91/60/657259160.db2.gz AGOBAXJDSCQZJW-WYOJIJJFSA-N 0 3 253.302 -1.445 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2C)C1)C(N)=O ZINC001019277619 657259199 /nfs/dbraw/zinc/25/91/99/657259199.db2.gz IOTIXIUNZUKVGY-LPEHRKFASA-N 0 3 282.344 -1.329 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2ccoc2CC(N)=O)C1 ZINC001019295081 657259223 /nfs/dbraw/zinc/25/92/23/657259223.db2.gz OTUYFYQGBVJUEA-QMMMGPOBSA-N 0 3 294.311 -1.403 20 0 CAADHN Cn1nnc(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)n1 ZINC001019258710 657259292 /nfs/dbraw/zinc/25/92/92/657259292.db2.gz NRGVWXYJFBZHEE-DTWKUNHWSA-N 0 3 293.331 -1.707 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1)N1CCC1 ZINC001019307685 657259835 /nfs/dbraw/zinc/25/98/35/657259835.db2.gz QBTPMWYCVUHOER-UWVGGRQHSA-N 0 3 295.343 -1.909 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001019309178 657259875 /nfs/dbraw/zinc/25/98/75/657259875.db2.gz ROZHVJXGKUOOMB-BQBZGAKWSA-N 0 3 255.278 -2.656 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001019299483 657260100 /nfs/dbraw/zinc/26/01/00/657260100.db2.gz QMUKDZINVCPBRT-IUCAKERBSA-N 0 3 292.343 -1.100 20 0 CAADHN O=C(c1c[nH]c(=O)cn1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019300527 657260276 /nfs/dbraw/zinc/26/02/76/657260276.db2.gz GFXUDPOSOZYRCP-DTWKUNHWSA-N 0 3 291.311 -1.538 20 0 CAADHN Cn1nccc1CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001019309173 657261288 /nfs/dbraw/zinc/26/12/88/657261288.db2.gz RKHWIFBCESBMMP-ONGXEEELSA-N 0 3 292.343 -1.208 20 0 CAADHN NC(=O)C(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001019313232 657262009 /nfs/dbraw/zinc/26/20/09/657262009.db2.gz KATYYCFYAOUTTG-NKWVEPMBSA-N 0 3 268.273 -2.533 20 0 CAADHN NC(=O)C(=O)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001019313457 657262228 /nfs/dbraw/zinc/26/22/28/657262228.db2.gz VHJFTEJIQRFVFV-JGVFFNPUSA-N 0 3 254.290 -2.059 20 0 CAADHN CN1CCC[C@H](N[C@H]2CCN(C(=O)C(N)=O)C2)C1=O ZINC001019313511 657262279 /nfs/dbraw/zinc/26/22/79/657262279.db2.gz YEXWYRCJJCPHTD-IUCAKERBSA-N 0 3 268.317 -1.717 20 0 CAADHN NC(=O)C(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001019313231 657262396 /nfs/dbraw/zinc/26/23/96/657262396.db2.gz KATYYCFYAOUTTG-BQBZGAKWSA-N 0 3 268.273 -2.533 20 0 CAADHN NC(=O)C(=O)N1CC[C@H](NCc2ccc(C(N)=O)cc2)C1 ZINC001019313405 657262458 /nfs/dbraw/zinc/26/24/58/657262458.db2.gz SBCIWKIZSZDNQQ-NSHDSACASA-N 0 3 290.323 -1.039 20 0 CAADHN CN1CC[C@@H](N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1=O ZINC001019315928 657263360 /nfs/dbraw/zinc/26/33/60/657263360.db2.gz YKQURENHMAFAQP-VHSXEESVSA-N 0 3 294.355 -1.327 20 0 CAADHN C[C@@]1(C(=O)N2CC[C@H](NCC(N)=O)C2)CCC(=O)N1 ZINC001019341150 657263446 /nfs/dbraw/zinc/26/34/46/657263446.db2.gz YJRDUUNPIZGVFC-UFBFGSQYSA-N 0 3 268.317 -1.669 20 0 CAADHN Cn1cc(C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)[nH]c1=O ZINC001019330139 657263832 /nfs/dbraw/zinc/26/38/32/657263832.db2.gz OTZSHAVEXMJIQT-IUCAKERBSA-N 0 3 293.327 -1.182 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1)C(N)=O ZINC001019329024 657264078 /nfs/dbraw/zinc/26/40/78/657264078.db2.gz TYQIWYKJRFOOHO-YUMQZZPRSA-N 0 3 281.316 -1.196 20 0 CAADHN Cc1csc(=O)n1CCN[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001019315563 657264579 /nfs/dbraw/zinc/26/45/79/657264579.db2.gz IXBYIAZSXWAITA-VIFPVBQESA-N 0 3 298.368 -1.106 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)C(N)=O ZINC001019315886 657264612 /nfs/dbraw/zinc/26/46/12/657264612.db2.gz WHMDLMBVXNDVFF-SFYZADRCSA-N 0 3 268.317 -1.684 20 0 CAADHN CN1CC[C@H](N[C@H]2CCN(C(=O)C3(C(N)=O)CC3)C2)C1=O ZINC001019315927 657264669 /nfs/dbraw/zinc/26/46/69/657264669.db2.gz YKQURENHMAFAQP-UWVGGRQHSA-N 0 3 294.355 -1.327 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1)C(N)=O ZINC001019340765 657264735 /nfs/dbraw/zinc/26/47/35/657264735.db2.gz GAXIZHOTFVJVTA-ZDMBXUJBSA-N 0 3 282.344 -1.281 20 0 CAADHN NC(=O)C1(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)CC1 ZINC001019318506 657264757 /nfs/dbraw/zinc/26/47/57/657264757.db2.gz YGMXVWXLDFCWEP-VHSXEESVSA-N 0 3 294.355 -1.279 20 0 CAADHN Cc1ccnn1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019448532 657266756 /nfs/dbraw/zinc/26/67/56/657266756.db2.gz BDGPILNJEHOBGX-JTQLQIEISA-N 0 3 265.317 -1.133 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1)C(N)=O ZINC001019444434 657266931 /nfs/dbraw/zinc/26/69/31/657266931.db2.gz ZUELLFVNXLZQTB-CSMHCCOUSA-N 0 3 297.315 -2.351 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1)C(N)=O ZINC001019392623 657267014 /nfs/dbraw/zinc/26/70/14/657267014.db2.gz HCZJAIHFVMVLLX-YUMQZZPRSA-N 0 3 293.327 -1.209 20 0 CAADHN Cn1nnnc1CN[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001019437743 657267187 /nfs/dbraw/zinc/26/71/87/657267187.db2.gz YYVUTAYYXOQBPL-VIFPVBQESA-N 0 3 290.331 -1.134 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1 ZINC001019388043 657267211 /nfs/dbraw/zinc/26/72/11/657267211.db2.gz GFFFWJFIUZJVLI-AXFHLTTASA-N 0 3 294.355 -1.469 20 0 CAADHN Cn1ncc(CCC(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001019392817 657267269 /nfs/dbraw/zinc/26/72/69/657267269.db2.gz QMEVDHZIYANBDE-JTQLQIEISA-N 0 3 280.332 -1.577 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001019392662 657267422 /nfs/dbraw/zinc/26/74/22/657267422.db2.gz IPNFFEWLYFIJIR-UTLUCORTSA-N 0 3 282.344 -1.436 20 0 CAADHN Cn1c(C(=O)N2CC[C@H](NCC(N)=O)C2)cccc1=O ZINC001019359970 657267493 /nfs/dbraw/zinc/26/74/93/657267493.db2.gz UBOWZFYMSGLNCQ-VIFPVBQESA-N 0 3 278.312 -1.325 20 0 CAADHN O=C([C@@H]1CC(=O)NC(=O)N1)N1CC[C@H](NCCF)C1 ZINC001019444317 657267635 /nfs/dbraw/zinc/26/76/35/657267635.db2.gz SSMZGQGSVNOGNB-YUMQZZPRSA-N 0 3 272.280 -1.256 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)COC2CCOCC2)C1 ZINC001019456878 657268058 /nfs/dbraw/zinc/26/80/58/657268058.db2.gz JPRBRBIUFFDOPE-JTQLQIEISA-N 0 3 285.344 -1.142 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001019392735 657268367 /nfs/dbraw/zinc/26/83/67/657268367.db2.gz MMSXECJYERKNBL-ZETCQYMHSA-N 0 3 279.300 -1.597 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001019437428 657268562 /nfs/dbraw/zinc/26/85/62/657268562.db2.gz OTMGZNCUHYKODI-QMMMGPOBSA-N 0 3 251.290 -1.372 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)c2cnn(C)n2)C1)C(N)=O ZINC001019509854 657269307 /nfs/dbraw/zinc/26/93/07/657269307.db2.gz RCVUPTLORFGELE-DTWKUNHWSA-N 0 3 280.332 -1.117 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001019507358 657269364 /nfs/dbraw/zinc/26/93/64/657269364.db2.gz AQGAAHNLLOKYBT-QMMMGPOBSA-N 0 3 282.300 -2.285 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1)C(N)=O ZINC001019507412 657269883 /nfs/dbraw/zinc/26/98/83/657269883.db2.gz BVKXPJLMSRMMBQ-CBAPKCEASA-N 0 3 296.327 -1.897 20 0 CAADHN COc1cncc(C(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001019471819 657269943 /nfs/dbraw/zinc/26/99/43/657269943.db2.gz MGIBWRPJPDOUJM-QMMMGPOBSA-N 0 3 279.300 -1.225 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001019506012 657270056 /nfs/dbraw/zinc/27/00/56/657270056.db2.gz MPPKVHIKBKTTLU-IUCAKERBSA-N 0 3 268.317 -1.669 20 0 CAADHN CC(C)c1nnnn1CC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019483725 657270478 /nfs/dbraw/zinc/27/04/78/657270478.db2.gz FIVGBIFBAPFWIY-VIFPVBQESA-N 0 3 295.347 -1.528 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CCC(=O)N2)C1 ZINC001019506011 657270847 /nfs/dbraw/zinc/27/08/47/657270847.db2.gz MPPKVHIKBKTTLU-BDAKNGLRSA-N 0 3 268.317 -1.669 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cnon2)C1)C(N)=O ZINC001019540275 657271732 /nfs/dbraw/zinc/27/17/32/657271732.db2.gz NLIDOWUAZVXSTH-BQBZGAKWSA-N 0 3 253.262 -1.253 20 0 CAADHN CC[C@@H]([NH2+][C@H]1CCN(C(=O)c2nc[n-]n2)C1)C(N)=O ZINC001019534631 657272078 /nfs/dbraw/zinc/27/20/78/657272078.db2.gz KISWWNQUEGGWHY-JGVFFNPUSA-N 0 3 266.305 -1.127 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019589047 657272108 /nfs/dbraw/zinc/27/21/08/657272108.db2.gz ACDJTJBKCXJVIH-VHSXEESVSA-N 0 3 293.327 -1.000 20 0 CAADHN CC[C@@H](N[C@H]1CCN(C(=O)CCn2cnnn2)C1)C(N)=O ZINC001019557738 657272155 /nfs/dbraw/zinc/27/21/55/657272155.db2.gz QREWVYAMDPSZCT-VHSXEESVSA-N 0 3 295.347 -1.482 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001019570412 657272236 /nfs/dbraw/zinc/27/22/36/657272236.db2.gz TUQOYGAUFVFYOS-QMMMGPOBSA-N 0 3 279.300 -1.597 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001019533432 657272524 /nfs/dbraw/zinc/27/25/24/657272524.db2.gz RSZHQTQWSRXAGW-DTWKUNHWSA-N 0 3 278.316 -1.113 20 0 CAADHN Cc1nonc1CC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001019587145 657272544 /nfs/dbraw/zinc/27/25/44/657272544.db2.gz BETAZUASWAVSMQ-IUCAKERBSA-N 0 3 281.316 -1.015 20 0 CAADHN CCn1cc(C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)nn1 ZINC001019579295 657272624 /nfs/dbraw/zinc/27/26/24/657272624.db2.gz MFAFXHKAHFTUKB-VHSXEESVSA-N 0 3 292.343 -1.009 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019533327 657272757 /nfs/dbraw/zinc/27/27/57/657272757.db2.gz NJRMPJYDEMJXSO-YUMQZZPRSA-N 0 3 292.299 -1.586 20 0 CAADHN O=C(c1cnon1)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001019540301 657272815 /nfs/dbraw/zinc/27/28/15/657272815.db2.gz OSKPZMVHSBYVQF-YUMQZZPRSA-N 0 3 293.283 -1.321 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1)C(N)=O ZINC001019569661 657273184 /nfs/dbraw/zinc/27/31/84/657273184.db2.gz QEIGRDYHCCDCAM-APPZFPTMSA-N 0 3 293.327 -1.209 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CCn2cnnn2)C1 ZINC001019558751 657273400 /nfs/dbraw/zinc/27/34/00/657273400.db2.gz KCALTMDGEZBFIM-QMMMGPOBSA-N 0 3 267.293 -2.261 20 0 CAADHN CN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)c3nc[n-]n3)C2)C1=O ZINC001019534672 657273474 /nfs/dbraw/zinc/27/34/74/657273474.db2.gz LYEWPYIQHRBQPP-DTWKUNHWSA-N 0 3 278.316 -1.161 20 0 CAADHN O=C(c1nc[n-]n1)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019533326 657273528 /nfs/dbraw/zinc/27/35/28/657273528.db2.gz NJRMPJYDEMJXSO-JGVFFNPUSA-N 0 3 292.299 -1.586 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CCn2cnnn2)C1)C(N)=O ZINC001019556492 657273720 /nfs/dbraw/zinc/27/37/20/657273720.db2.gz LXSHPVPYWTYEOU-BDAKNGLRSA-N 0 3 281.320 -1.873 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)CCn2cnnn2)C1)C(N)=O ZINC001019557737 657273881 /nfs/dbraw/zinc/27/38/81/657273881.db2.gz QREWVYAMDPSZCT-UWVGGRQHSA-N 0 3 295.347 -1.482 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCCCN2C(N)=O)C1 ZINC001019634077 657275019 /nfs/dbraw/zinc/27/50/19/657275019.db2.gz JGTNJUSLZPTKAQ-UWVGGRQHSA-N 0 3 297.359 -1.405 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)N1CCC1 ZINC001019678414 657275663 /nfs/dbraw/zinc/27/56/63/657275663.db2.gz GDVYXUMRXGHBNN-QWRGUYRKSA-N 0 3 294.355 -1.312 20 0 CAADHN CCC(=O)N1CC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019614612 657275861 /nfs/dbraw/zinc/27/58/61/657275861.db2.gz MZYTXVJURVNXLM-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)N1CC[C@](C)(C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019618446 657275989 /nfs/dbraw/zinc/27/59/89/657275989.db2.gz HJYQKNMJCSZHSI-FZMZJTMJSA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001019678579 657276844 /nfs/dbraw/zinc/27/68/44/657276844.db2.gz NUTBCUDARWNIMY-YUMQZZPRSA-N 0 3 254.290 -2.059 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019719002 657277102 /nfs/dbraw/zinc/27/71/02/657277102.db2.gz IDLDVWLUEDLVJU-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CN2C(=O)CNC2=O)C1)C(N)=O ZINC001019748226 657277274 /nfs/dbraw/zinc/27/72/74/657277274.db2.gz QVFSDOLQWXEUCM-SFYZADRCSA-N 0 3 297.315 -2.398 20 0 CAADHN O=C(Cn1cncn1)N1CC[C@H](N[C@H]2CCCNC2=O)C1 ZINC001019745233 657277351 /nfs/dbraw/zinc/27/73/51/657277351.db2.gz HSXNSCLSRVBVPF-QWRGUYRKSA-N 0 3 292.343 -1.253 20 0 CAADHN O=C([C@@H]1CCC(=O)N1)N1CC[C@H](N[C@@H]2CCCNC2=O)C1 ZINC001019678673 657277501 /nfs/dbraw/zinc/27/75/01/657277501.db2.gz SCPWLSPZPPPZBD-AXFHLTTASA-N 0 3 294.355 -1.266 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019720469 657277540 /nfs/dbraw/zinc/27/75/40/657277540.db2.gz JMBYKDUAOHKZCM-QWRGUYRKSA-N 0 3 298.343 -2.091 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)Cn2cncn2)C1)N1CCC1 ZINC001019745117 657277949 /nfs/dbraw/zinc/27/79/49/657277949.db2.gz BIEUWZHTHBSHKZ-NSHDSACASA-N 0 3 292.343 -1.299 20 0 CAADHN COc1c(C(=O)N2CC[C@H](NCC(N)=O)C2)cnn1C ZINC001019711324 657277965 /nfs/dbraw/zinc/27/79/65/657277965.db2.gz CBUFUGLCEWCNHG-QMMMGPOBSA-N 0 3 281.316 -1.282 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(N)=O ZINC001019678730 657278005 /nfs/dbraw/zinc/27/80/05/657278005.db2.gz VSBOGXIFXNOQIM-GUBZILKMSA-N 0 3 282.344 -1.281 20 0 CAADHN CN1CC(=O)N(CC(=O)N2CC[C@H](NCC(N)=O)C2)C1=O ZINC001019748361 657278551 /nfs/dbraw/zinc/27/85/51/657278551.db2.gz YSIVXVBIASYDHK-QMMMGPOBSA-N 0 3 297.315 -2.444 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CN2C(=O)CCC2=O)C1 ZINC001019752979 657278739 /nfs/dbraw/zinc/27/87/39/657278739.db2.gz AYWVDYPHJNUSHE-QMMMGPOBSA-N 0 3 282.300 -2.189 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2ccccc2=O)C1)C(N)=O ZINC001019757613 657279279 /nfs/dbraw/zinc/27/92/79/657279279.db2.gz WYJMKOCXXHNHDY-QWRGUYRKSA-N 0 3 292.339 -1.087 20 0 CAADHN CN1C[C@@H](C(=O)N2CC[C@H](NCC(N)=O)C2)CCC1=O ZINC001019826180 657279519 /nfs/dbraw/zinc/27/95/19/657279519.db2.gz GZNZIKRLYHXJBL-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1)C(N)=O ZINC001019779016 657279683 /nfs/dbraw/zinc/27/96/83/657279683.db2.gz HVKDMMNIGIDSQU-APPZFPTMSA-N 0 3 293.327 -1.209 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1)C(N)=O ZINC001019834958 657279773 /nfs/dbraw/zinc/27/97/73/657279773.db2.gz RLCUVGMFLMDIPL-IUCAKERBSA-N 0 3 295.343 -1.598 20 0 CAADHN O=C([C@H]1CCS(=O)(=O)N1)N1CC[C@H](NCCF)C1 ZINC001019787692 657279907 /nfs/dbraw/zinc/27/99/07/657279907.db2.gz ZPPJPWARPIWVDU-DTWKUNHWSA-N 0 3 279.337 -1.162 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1)C(N)=O ZINC001019834957 657280231 /nfs/dbraw/zinc/28/02/31/657280231.db2.gz RLCUVGMFLMDIPL-BDAKNGLRSA-N 0 3 295.343 -1.598 20 0 CAADHN CC(=O)N1CCC(C(=O)N2CC[C@H](NCC(N)=O)C2)CC1 ZINC001019755864 657280438 /nfs/dbraw/zinc/28/04/38/657280438.db2.gz QEUZKEGGDDJVPQ-LBPRGKRZSA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CCc2cn(C)nn2)C1)C(N)=O ZINC001019884045 657281451 /nfs/dbraw/zinc/28/14/51/657281451.db2.gz RVBNLKGNPVIZHM-UWVGGRQHSA-N 0 3 294.359 -1.188 20 0 CAADHN CCn1nc(C)c(C(=O)N2CC[C@H](NCC(N)=O)C2)n1 ZINC001019884113 657281567 /nfs/dbraw/zinc/28/15/67/657281567.db2.gz VWZLWTGGELYGTO-VIFPVBQESA-N 0 3 280.332 -1.104 20 0 CAADHN O=C(Cn1ccnc1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001019868431 657281646 /nfs/dbraw/zinc/28/16/46/657281646.db2.gz DCDATRKSPNJTHP-WDEREUQCSA-N 0 3 277.328 -1.038 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001019892416 657281826 /nfs/dbraw/zinc/28/18/26/657281826.db2.gz IYDCPWLFGKFLPD-SFYZADRCSA-N 0 3 282.300 -2.285 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC001019863899 657281848 /nfs/dbraw/zinc/28/18/48/657281848.db2.gz OQNYJKPLELCDBP-VIFPVBQESA-N 0 3 291.311 -1.530 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1)C(N)=O ZINC001019875929 657282066 /nfs/dbraw/zinc/28/20/66/657282066.db2.gz KLGBDUWITRDECB-UTLUCORTSA-N 0 3 297.359 -1.406 20 0 CAADHN Cc1nonc1C(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001019873271 657282090 /nfs/dbraw/zinc/28/20/90/657282090.db2.gz BBVWBKWHQUIGKA-ZETCQYMHSA-N 0 3 253.262 -1.333 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001019892417 657282132 /nfs/dbraw/zinc/28/21/32/657282132.db2.gz IYDCPWLFGKFLPD-YUMQZZPRSA-N 0 3 282.300 -2.285 20 0 CAADHN O=C(Cn1ccnc1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019868430 657282216 /nfs/dbraw/zinc/28/22/16/657282216.db2.gz DCDATRKSPNJTHP-QWRGUYRKSA-N 0 3 277.328 -1.038 20 0 CAADHN CCC(=O)N[C@H]1C[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001019899785 657282421 /nfs/dbraw/zinc/28/24/21/657282421.db2.gz OGYKNIVOOFVBFF-MGCOHNPYSA-N 0 3 282.344 -1.408 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001020028158 657284409 /nfs/dbraw/zinc/28/44/09/657284409.db2.gz QLALVZDVVMSMED-FXPVBKGRSA-N 0 3 292.343 -1.170 20 0 CAADHN C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@@H]1CCCN1C ZINC001020126789 657287325 /nfs/dbraw/zinc/28/73/25/657287325.db2.gz HMYQKXFGZTXEAH-GUBZILKMSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)[C@H]1CCCN1C ZINC001020126790 657287736 /nfs/dbraw/zinc/28/77/36/657287736.db2.gz HMYQKXFGZTXEAH-LPEHRKFASA-N 0 3 282.344 -1.329 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2COC(=O)N2)C1 ZINC001020121245 657289066 /nfs/dbraw/zinc/28/90/66/657289066.db2.gz FKFJUSLOVNQMPX-NQMVMOMDSA-N 0 3 294.315 -1.340 20 0 CAADHN Cn1cc(C(=O)N[C@H]2C[C@H](NCc3cnnn3C)C2)nn1 ZINC001020125453 657289237 /nfs/dbraw/zinc/28/92/37/657289237.db2.gz RGANXLLQFILWKX-KYZUINATSA-N 0 3 290.331 -1.006 20 0 CAADHN CC[C@H](C(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H]1C)N(C)C ZINC001020368252 657294142 /nfs/dbraw/zinc/29/41/42/657294142.db2.gz CQJLCOPWWSSVDD-LPEHRKFASA-N 0 3 284.360 -1.083 20 0 CAADHN Cn1ccc(=O)c(C(=O)N[C@H]2C[C@H](NCC(N)=O)C2)c1 ZINC001020380728 657294185 /nfs/dbraw/zinc/29/41/85/657294185.db2.gz PERYWSCMMACPJS-KYZUINATSA-N 0 3 278.312 -1.279 20 0 CAADHN C[C@H](N[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1)c1nnnn1C ZINC001020343005 657294344 /nfs/dbraw/zinc/29/43/44/657294344.db2.gz FFYZBGPDYMFPDZ-FXQIFTODSA-N 0 3 291.319 -1.060 20 0 CAADHN CCCC[C@@H](CNCC(=O)N(C)C)NC(=O)C(N)=O ZINC001276261673 782190740 /nfs/dbraw/zinc/19/07/40/782190740.db2.gz LQQKSHPKISMPIX-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CCCC[C@H](CNCC(=O)N(C)C)NC(=O)C(N)=O ZINC001276261672 782191101 /nfs/dbraw/zinc/19/11/01/782191101.db2.gz LQQKSHPKISMPIX-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN C[C@@H]1CN(CCN2CC[C@](O)(C(N)=O)C2)CCO1 ZINC001257390500 782192663 /nfs/dbraw/zinc/19/26/63/782192663.db2.gz FTXAADQCXPPIQM-ZYHUDNBSSA-N 0 3 257.334 -1.371 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000686126402 782193898 /nfs/dbraw/zinc/19/38/98/782193898.db2.gz MBWWKODFTAXLPF-SNVBAGLBSA-N 0 3 290.389 -2.006 20 0 CAADHN CCNC(=O)N1CCN(C(=O)[C@@H]2CNCCN2C)CC1 ZINC000686120004 782194115 /nfs/dbraw/zinc/19/41/15/782194115.db2.gz SHZBMYNLDHLBOU-NSHDSACASA-N 0 3 283.376 -1.236 20 0 CAADHN COCCCNC(=O)CN(C)C(=O)[C@@H]1CNCCN1C ZINC000686123336 782194142 /nfs/dbraw/zinc/19/41/42/782194142.db2.gz BFPXQKXREWHEQU-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN CC(C)CN(CC(N)=O)C(=O)[C@@H]1CNCCN1C ZINC000686121442 782194174 /nfs/dbraw/zinc/19/41/74/782194174.db2.gz RYDLMYDFVUYHGI-JTQLQIEISA-N 0 3 256.350 -1.140 20 0 CAADHN CCN(CC(=O)N(C)C)C(=O)[C@@H]1CNCCN1C ZINC000686120680 782193744 /nfs/dbraw/zinc/19/37/44/782193744.db2.gz ZGDFPCFSAKKUSA-JTQLQIEISA-N 0 3 256.350 -1.173 20 0 CAADHN CCNC(=O)CN(CC)C(=O)[C@@H]1CNCCN1C ZINC000686121324 782194390 /nfs/dbraw/zinc/19/43/90/782194390.db2.gz PSAPQZXFODUGFF-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN CN1CC(C(=O)N2CCN(C)[C@H](CO)C2)=NC1=O ZINC000687589730 782196548 /nfs/dbraw/zinc/19/65/48/782196548.db2.gz BZMYKVZDCUMPHB-QMMMGPOBSA-N 0 3 254.290 -1.126 20 0 CAADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCO)[C@@H]1CCNC1=O ZINC001095869427 782201779 /nfs/dbraw/zinc/20/17/79/782201779.db2.gz BZFJSUNUZRNGFD-ZNSHCXBVSA-N 0 3 267.329 -1.164 20 0 CAADHN Cn1cc(CN[C@]23C[C@H]2COC3)c(=O)n(C)c1=O ZINC000718052384 782202110 /nfs/dbraw/zinc/20/21/10/782202110.db2.gz SPBANHYXMZLCSO-CABZTGNLSA-N 0 3 251.286 -1.038 20 0 CAADHN CN1CCN(S(=O)(=O)N2CCNCC2)CCC1=O ZINC000688971924 782202456 /nfs/dbraw/zinc/20/24/56/782202456.db2.gz DMONBPCFQGMKOI-UHFFFAOYSA-N 0 3 276.362 -1.700 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)NCCOC(=O)N(C)C ZINC000689015828 782202027 /nfs/dbraw/zinc/20/20/27/782202027.db2.gz IEMBGLBZQYDSBE-JTQLQIEISA-N 0 3 288.348 -1.100 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)n1 ZINC001114969060 782203705 /nfs/dbraw/zinc/20/37/05/782203705.db2.gz PPMOCSADNBGPEK-IAZYJMLFSA-N 0 3 295.343 -1.516 20 0 CAADHN Cc1nnc(CNC[C@@H]2CCC[C@@H]2NC(=O)C(N)=O)[nH]1 ZINC001037068237 782206340 /nfs/dbraw/zinc/20/63/40/782206340.db2.gz KQWKTTHAYBPBGL-IUCAKERBSA-N 0 3 280.332 -1.027 20 0 CAADHN Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114661202 782208477 /nfs/dbraw/zinc/20/84/77/782208477.db2.gz UANIYSUGGHALID-IAZYJMLFSA-N 0 3 295.343 -1.218 20 0 CAADHN CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnn(C)n1 ZINC001114695294 782209349 /nfs/dbraw/zinc/20/93/49/782209349.db2.gz DFTIJFAGLMJSNP-MYJAWHEDSA-N 0 3 280.332 -1.093 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)CC1 ZINC001114756820 782213036 /nfs/dbraw/zinc/21/30/36/782213036.db2.gz ACVLYXMPZGRHHY-URLYPYJESA-N 0 3 297.355 -1.693 20 0 CAADHN NS(=O)(=O)CCCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114756129 782212736 /nfs/dbraw/zinc/21/27/36/782212736.db2.gz VRKOZVBAPBENLC-JZYVYDRUSA-N 0 3 291.373 -1.906 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001114764421 782214188 /nfs/dbraw/zinc/21/41/88/782214188.db2.gz USUDKVLBNPSXGP-RGOKHQFPSA-N 0 3 292.339 -1.813 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114838121 782215161 /nfs/dbraw/zinc/21/51/61/782215161.db2.gz RGBIXZOWKAIEBE-LVEVGFFFSA-N 0 3 297.355 -1.837 20 0 CAADHN C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1cn[nH]n1 ZINC001114863020 782216783 /nfs/dbraw/zinc/21/67/83/782216783.db2.gz UJBPSEIKLOLBDQ-BXSSEVMYSA-N 0 3 292.343 -1.343 20 0 CAADHN C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]nn1 ZINC001114863020 782216789 /nfs/dbraw/zinc/21/67/89/782216789.db2.gz UJBPSEIKLOLBDQ-BXSSEVMYSA-N 0 3 292.343 -1.343 20 0 CAADHN C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)C1CNC1 ZINC000722104738 782218246 /nfs/dbraw/zinc/21/82/46/782218246.db2.gz OYGIMTSBQSDAQP-HTQZYQBOSA-N 0 3 261.347 -1.126 20 0 CAADHN COC(=O)N[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000722129129 782222470 /nfs/dbraw/zinc/22/24/70/782222470.db2.gz JEXKAUWNLDGEHN-ZETCQYMHSA-N 0 3 263.319 -1.282 20 0 CAADHN O=S(=O)(NCCn1cncn1)N1CCNCC1 ZINC000381296447 782239789 /nfs/dbraw/zinc/23/97/89/782239789.db2.gz PMVOOPQZRDHWMF-UHFFFAOYSA-N 0 3 260.323 -1.982 20 0 CAADHN O=S(=O)(NCCCn1cncn1)N1CCNCC1 ZINC000381323514 782239841 /nfs/dbraw/zinc/23/98/41/782239841.db2.gz XAVDDOYBFDBBCX-UHFFFAOYSA-N 0 3 274.350 -1.592 20 0 CAADHN O=C(CNS(=O)(=O)C1CNC1)NCC(F)(F)F ZINC000721738349 782246422 /nfs/dbraw/zinc/24/64/22/782246422.db2.gz GUHXLMYYFOBUMN-UHFFFAOYSA-N 0 3 275.252 -1.444 20 0 CAADHN CN(CC(=O)N1CCCC1)S(=O)(=O)C1CNC1 ZINC000722117380 782252482 /nfs/dbraw/zinc/25/24/82/782252482.db2.gz CHJATAHPXOHGDJ-UHFFFAOYSA-N 0 3 261.347 -1.158 20 0 CAADHN NC(=O)CN1CC[C@@H](C2CCN(C(=O)C(N)=O)CC2)C1 ZINC001039158381 782268884 /nfs/dbraw/zinc/26/88/84/782268884.db2.gz POGHFZRCUKGRHW-SNVBAGLBSA-N 0 3 282.344 -1.483 20 0 CAADHN CC(=O)NCC1(O)CN(C(=O)[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001041066848 782292878 /nfs/dbraw/zinc/29/28/78/782292878.db2.gz GQQWRBPOFUXLCM-NWDGAFQWSA-N 0 3 297.355 -1.441 20 0 CAADHN O=C(Cc1c[nH]cn1)N1CC(O)(CNC(=O)C(F)F)C1 ZINC001041087926 782293499 /nfs/dbraw/zinc/29/34/99/782293499.db2.gz RIDCCGVRWZMHFL-UHFFFAOYSA-N 0 3 288.254 -1.093 20 0 CAADHN COCC(=O)NCC1(O)CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001041167046 782299486 /nfs/dbraw/zinc/29/94/86/782299486.db2.gz ZSXMKFWAVCSDFY-NSHDSACASA-N 0 3 299.371 -1.336 20 0 CAADHN COCC(=O)NCC1(O)CN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001041164701 782300049 /nfs/dbraw/zinc/30/00/49/782300049.db2.gz GYKFPXFJRMQSQY-GFCCVEGCSA-N 0 3 299.371 -1.338 20 0 CAADHN COCC(=O)NCC1(O)CN(C(=O)C2(N(C)C)CCC2)C1 ZINC001041159686 782298277 /nfs/dbraw/zinc/29/82/77/782298277.db2.gz CGEMIBXEFIWQAW-UHFFFAOYSA-N 0 3 299.371 -1.193 20 0 CAADHN NC(=O)C(=O)N1CC[C@]2(CCN([C@H]3CCCNC3=O)C2)C1 ZINC001041623551 782314188 /nfs/dbraw/zinc/31/41/88/782314188.db2.gz PWPLCKCUMZCOFU-HZMBPMFUSA-N 0 3 294.355 -1.325 20 0 CAADHN NC(=O)C(=O)N1CC[C@@]2(CCN([C@H]3CCCNC3=O)C2)C1 ZINC001041623552 782314893 /nfs/dbraw/zinc/31/48/93/782314893.db2.gz PWPLCKCUMZCOFU-IINYFYTJSA-N 0 3 294.355 -1.325 20 0 CAADHN NC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3nnc[n-]3)C2)C1 ZINC001041778313 782319323 /nfs/dbraw/zinc/31/93/23/782319323.db2.gz WDZVXLDCMOHBFY-CYBMUJFWSA-N 0 3 292.343 -1.243 20 0 CAADHN NC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3nnc[n-]3)C2)C1 ZINC001041778313 782319326 /nfs/dbraw/zinc/31/93/26/782319326.db2.gz WDZVXLDCMOHBFY-CYBMUJFWSA-N 0 3 292.343 -1.243 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2CCN(CCCO)[C@H]2C1 ZINC001042212058 782326763 /nfs/dbraw/zinc/32/67/63/782326763.db2.gz YTSAGILBRRJNDY-ZJUUUORDSA-N 0 3 255.318 -1.223 20 0 CAADHN CN(C(=O)[C@H]1CCCN1C)C1CN(Cc2nnn(C)n2)C1 ZINC001042545427 782337163 /nfs/dbraw/zinc/33/71/63/782337163.db2.gz CYRWNROOOKTUOE-LLVKDONJSA-N 0 3 293.375 -1.053 20 0 CAADHN CNC(=O)CN1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001042545898 782337288 /nfs/dbraw/zinc/33/72/88/782337288.db2.gz LBWTUPRFOCZPGO-NSHDSACASA-N 0 3 268.361 -1.031 20 0 CAADHN CN(C(=O)[C@H]1CN2CCC[C@H]2CO1)C1CN(CC(N)=O)C1 ZINC001042755629 782345556 /nfs/dbraw/zinc/34/55/56/782345556.db2.gz BCOCQAFFCUUFGU-CMPLNLGQSA-N 0 3 296.371 -1.523 20 0 CAADHN CN(C(=O)[C@H]1CN2CCC[C@H]2CO1)C1CN(CCO)C1 ZINC001042758541 782345756 /nfs/dbraw/zinc/34/57/56/782345756.db2.gz KUKCEGFSUZRNFV-WCQYABFASA-N 0 3 283.372 -1.016 20 0 CAADHN CN(C(=O)[C@H]1CN2CCC[C@@H]2CO1)C1CN(CC(N)=O)C1 ZINC001042755637 782346409 /nfs/dbraw/zinc/34/64/09/782346409.db2.gz BCOCQAFFCUUFGU-ZYHUDNBSSA-N 0 3 296.371 -1.523 20 0 CAADHN CN(C(=O)[C@H]1CN2CCC[C@@H]2CO1)C1CN(CCO)C1 ZINC001042758540 782345839 /nfs/dbraw/zinc/34/58/39/782345839.db2.gz KUKCEGFSUZRNFV-DGCLKSJQSA-N 0 3 283.372 -1.016 20 0 CAADHN CN(C(=O)[C@@H]1CN2CCC[C@H]2CO1)C1CN(CCO)C1 ZINC001042758539 782345882 /nfs/dbraw/zinc/34/58/82/782345882.db2.gz KUKCEGFSUZRNFV-AAEUAGOBSA-N 0 3 283.372 -1.016 20 0 CAADHN CN(C(=O)[C@@H]1CN2CCC[C@H]2CO1)C1CN(CC(N)=O)C1 ZINC001042755634 782346249 /nfs/dbraw/zinc/34/62/49/782346249.db2.gz BCOCQAFFCUUFGU-JQWIXIFHSA-N 0 3 296.371 -1.523 20 0 CAADHN CCN(CC)CC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001043158183 782358426 /nfs/dbraw/zinc/35/84/26/782358426.db2.gz SENQCLAEGFDSSA-UHFFFAOYSA-N 0 3 286.332 -2.497 20 0 CAADHN COCC(=O)N1CC(O)(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001043462761 782365327 /nfs/dbraw/zinc/36/53/27/782365327.db2.gz KDPKGCHDGCKWPI-GFCCVEGCSA-N 0 3 299.371 -1.338 20 0 CAADHN CC[C@H](C(=O)NCC1(O)CN(C(=O)COC)C1)N(C)C ZINC001043680203 782373777 /nfs/dbraw/zinc/37/37/77/782373777.db2.gz OMJQLIZLROUDKN-SNVBAGLBSA-N 0 3 287.360 -1.338 20 0 CAADHN C[C@@H](O)CN1CC(N(C)C(=O)Cc2ncn[nH]2)C1 ZINC001044163766 782390759 /nfs/dbraw/zinc/39/07/59/782390759.db2.gz WSBJKBFXOLYZPF-MRVPVSSYSA-N 0 3 253.306 -1.129 20 0 CAADHN C[C@H]1CCN(CC(=O)N(C)C2CN(CC(N)=O)C2)C1 ZINC001043873109 782383743 /nfs/dbraw/zinc/38/37/43/782383743.db2.gz BUDRQNPMGOVLRO-JTQLQIEISA-N 0 3 268.361 -1.044 20 0 CAADHN CNC(=O)CN1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001043975859 782384052 /nfs/dbraw/zinc/38/40/52/782384052.db2.gz ILWOYARMOBDWPR-UHFFFAOYSA-N 0 3 265.317 -1.159 20 0 CAADHN CN(C(=O)Cc1c[nH]cn1)C1CN(Cc2nnnn2C)C1 ZINC001043978233 782386483 /nfs/dbraw/zinc/38/64/83/782386483.db2.gz SGTUNZRBFZHJSG-UHFFFAOYSA-N 0 3 290.331 -1.182 20 0 CAADHN CC(C)(C)OC(=O)[C@@H](O)CN[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001253701648 782386725 /nfs/dbraw/zinc/38/67/25/782386725.db2.gz QEBBHBYBBNIKOD-NZFPMDFQSA-N 0 3 291.344 -1.619 20 0 CAADHN CCCN(C)CC(=O)NCC1(O)CN(C(=O)COC)C1 ZINC001044302047 782395833 /nfs/dbraw/zinc/39/58/33/782395833.db2.gz FIWZYACCIVJDKW-UHFFFAOYSA-N 0 3 287.360 -1.336 20 0 CAADHN CN(C(=O)CN1CCCC1)C1CN(Cc2nnn(C)n2)C1 ZINC001044295116 782395866 /nfs/dbraw/zinc/39/58/66/782395866.db2.gz NOLIVYUPRGMJDB-UHFFFAOYSA-N 0 3 293.375 -1.052 20 0 CAADHN CN(C(=O)CN1CCCC1)C1CN(Cc2nnnn2C)C1 ZINC001044297982 782396061 /nfs/dbraw/zinc/39/60/61/782396061.db2.gz QEGUECXULDBYPU-UHFFFAOYSA-N 0 3 293.375 -1.052 20 0 CAADHN CC(=O)N1CC(O)(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001044323822 782398140 /nfs/dbraw/zinc/39/81/40/782398140.db2.gz VNRQVFIHAPBDIV-UHFFFAOYSA-N 0 3 266.301 -1.030 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCC1(O)CN(C(=O)C(N)=O)C1 ZINC001044323273 782399019 /nfs/dbraw/zinc/39/90/19/782399019.db2.gz IUMFNIJZYRIRGB-UHFFFAOYSA-N 0 3 295.299 -2.565 20 0 CAADHN C[C@H]1C[C@@H]([NH2+]CC(N)=O)CCN1C(=O)c1cn[n-]n1 ZINC001044655522 782404756 /nfs/dbraw/zinc/40/47/56/782404756.db2.gz CTCWYKOUKVTKSZ-YUMQZZPRSA-N 0 3 266.305 -1.127 20 0 CAADHN O=C(Cn1cnnn1)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001044916140 782410321 /nfs/dbraw/zinc/41/03/21/782410321.db2.gz ZFUYFHZESDDNEN-VHSXEESVSA-N 0 3 293.331 -1.858 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCC[C@H]1CN[C@H]1CCNC1=O ZINC001045077008 782411875 /nfs/dbraw/zinc/41/18/75/782411875.db2.gz KEKCITORNJSJPT-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN CCN1CC[C@H](NC[C@@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001045176243 782411892 /nfs/dbraw/zinc/41/18/92/782411892.db2.gz CTIQPSBPWYWIAP-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)nn1 ZINC001045022779 782412009 /nfs/dbraw/zinc/41/20/09/782412009.db2.gz PHRXTGVQGICXBZ-VHSXEESVSA-N 0 3 292.343 -1.102 20 0 CAADHN CN1CCC[C@@H](NC[C@@H]2CCCN2C(=O)C(N)=O)C1=O ZINC001045178545 782413216 /nfs/dbraw/zinc/41/32/16/782413216.db2.gz KWTKTMAJACNMSU-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]1CN[C@H]1CCC(=O)NC1=O ZINC001045179099 782413835 /nfs/dbraw/zinc/41/38/35/782413835.db2.gz VQVQZRWUBCDACZ-YUMQZZPRSA-N 0 3 282.300 -2.143 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]1CN[C@H]1CCCNC1=O ZINC001045178653 782413891 /nfs/dbraw/zinc/41/38/91/782413891.db2.gz NKJSWSUVDYFWOU-IUCAKERBSA-N 0 3 268.317 -1.669 20 0 CAADHN O=C(Cn1cncn1)N1CCC[C@H]1CN[C@@H]1CCNC1=O ZINC001045301320 782414518 /nfs/dbraw/zinc/41/45/18/782414518.db2.gz ZNBLHJJNLBYNIT-WDEREUQCSA-N 0 3 292.343 -1.253 20 0 CAADHN CN(CC(=O)N1CC(O)(CNC(=O)C(N)=O)C1)C1CCC1 ZINC001045503960 782420482 /nfs/dbraw/zinc/42/04/82/782420482.db2.gz FOKGWWIMEFCTAU-UHFFFAOYSA-N 0 3 298.343 -2.355 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC(O)(CNC(=O)C(N)=O)C2)C1 ZINC001045513490 782421225 /nfs/dbraw/zinc/42/12/25/782421225.db2.gz KYIZVHJRZIUSGQ-VIFPVBQESA-N 0 3 298.343 -2.497 20 0 CAADHN CN(C)[C@@H](C(=O)N1CC(O)(CNC(=O)C(N)=O)C1)C1CC1 ZINC001045509327 782421604 /nfs/dbraw/zinc/42/16/04/782421604.db2.gz IMBWETORUQYDIG-SECBINFHSA-N 0 3 298.343 -2.499 20 0 CAADHN CN1CCO[C@@H](C(=O)N[C@]2(C)CCN(CCO)C2)C1 ZINC001046221126 782434728 /nfs/dbraw/zinc/43/47/28/782434728.db2.gz XIJSLQSPJGWFTR-DGCLKSJQSA-N 0 3 271.361 -1.110 20 0 CAADHN C[C@]1(NC(=O)[C@H]2COCCO2)CCN(CCO)C1 ZINC001046163400 782434156 /nfs/dbraw/zinc/43/41/56/782434156.db2.gz ZSRUHDQMBYJUDK-PWSUYJOCSA-N 0 3 258.318 -1.025 20 0 CAADHN C[C@@]1(NC(=O)[C@H]2COCCO2)CCN(CCO)C1 ZINC001046163401 782434239 /nfs/dbraw/zinc/43/42/39/782434239.db2.gz ZSRUHDQMBYJUDK-ZYHUDNBSSA-N 0 3 258.318 -1.025 20 0 CAADHN Cn1cnc(C(=O)N[C@]2(C)CCN(CCO)C2)cc1=O ZINC001046389079 782438790 /nfs/dbraw/zinc/43/87/90/782438790.db2.gz AXOYZYPOZJXUMB-CYBMUJFWSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@@]1(NC(=O)[C@H]2CCNC2=O)CCN(CCO)C1 ZINC001046538168 782440431 /nfs/dbraw/zinc/44/04/31/782440431.db2.gz HEIWSNJNGPKLSV-JOYOIKCWSA-N 0 3 255.318 -1.305 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)N[C@@]2(C)CCN(CCO)C2)c1=O ZINC001046535301 782440870 /nfs/dbraw/zinc/44/08/70/782440870.db2.gz MGPUSDUFMWKPEJ-ZDUSSCGKSA-N 0 3 296.327 -1.328 20 0 CAADHN CN1C[C@H](C(=O)N[C@@]2(C)CCN(CCO)C2)NC1=O ZINC001046535404 782441197 /nfs/dbraw/zinc/44/11/97/782441197.db2.gz NAEUTCUEWLTMLM-SKDRFNHKSA-N 0 3 270.333 -1.417 20 0 CAADHN C[C@@]1(NC(=O)[C@@H]2CCNC2=O)CCN(CCO)C1 ZINC001046538166 782441893 /nfs/dbraw/zinc/44/18/93/782441893.db2.gz HEIWSNJNGPKLSV-BXKDBHETSA-N 0 3 255.318 -1.305 20 0 CAADHN C[C@@H](O)CN1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046547003 782442132 /nfs/dbraw/zinc/44/21/32/782442132.db2.gz IMBJNQPREZBZKX-KCJUWKMLSA-N 0 3 268.321 -1.215 20 0 CAADHN CN1C[C@@H](C(=O)N[C@]2(C)CCN(CCO)C2)NC1=O ZINC001046535401 782442368 /nfs/dbraw/zinc/44/23/68/782442368.db2.gz NAEUTCUEWLTMLM-JOYOIKCWSA-N 0 3 270.333 -1.417 20 0 CAADHN C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CCN(CCO)C1 ZINC001046621524 782442773 /nfs/dbraw/zinc/44/27/73/782442773.db2.gz MCXHIYKLQHXMIS-VDDIYKPWSA-N 0 3 255.318 -1.319 20 0 CAADHN COCCN1CC[C@@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046588809 782442992 /nfs/dbraw/zinc/44/29/92/782442992.db2.gz RIHXKAWPMRSGBL-BXKDBHETSA-N 0 3 270.333 -1.105 20 0 CAADHN C[C@]1(NC(=O)[C@@H]2CNC(=O)N2)CCN(CCO)C1 ZINC001046585020 782443228 /nfs/dbraw/zinc/44/32/28/782443228.db2.gz DFKFHJGVXOXMRF-KWQFWETISA-N 0 3 256.306 -1.759 20 0 CAADHN C[C@]1(NC(=O)c2c[nH]c(=O)cn2)CCN(CCO)C1 ZINC001046581439 782443286 /nfs/dbraw/zinc/44/32/86/782443286.db2.gz LTNHKXAOMQGHQW-LBPRGKRZSA-N 0 3 266.301 -1.044 20 0 CAADHN C[C@]1(NC(=O)[C@H]2CNC(=O)N2)CCN(CCO)C1 ZINC001046585019 782443315 /nfs/dbraw/zinc/44/33/15/782443315.db2.gz DFKFHJGVXOXMRF-KCJUWKMLSA-N 0 3 256.306 -1.759 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N[C@]2(C)CCN(CCO)C2)C1 ZINC001046815197 782447963 /nfs/dbraw/zinc/44/79/63/782447963.db2.gz PZFMGCRNYZVSAP-GXTWGEPZSA-N 0 3 299.371 -1.193 20 0 CAADHN Cn1nc(C(=O)N[C@@]2(C)CCN(CCO)C2)ccc1=O ZINC001046822468 782448832 /nfs/dbraw/zinc/44/88/32/782448832.db2.gz RBFLEALGAQTMKQ-ZDUSSCGKSA-N 0 3 280.328 -1.033 20 0 CAADHN C[C@]1(NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN(CCO)C1 ZINC001046843677 782449031 /nfs/dbraw/zinc/44/90/31/782449031.db2.gz AVZFJDKBNZBFCL-ONGXEEELSA-N 0 3 291.373 -1.749 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)N[C@@]2(C)CCN(CCO)C2)C1 ZINC001046815199 782449118 /nfs/dbraw/zinc/44/91/18/782449118.db2.gz PZFMGCRNYZVSAP-OCCSQVGLSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C(=O)Cn1cnnn1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047296106 782455733 /nfs/dbraw/zinc/45/57/33/782455733.db2.gz XHAHHPJJSKZJHU-QWRGUYRKSA-N 0 3 280.332 -1.413 20 0 CAADHN CN(C(=O)[C@@H]1CCCN1C)[C@H]1CN(CCO)C[C@@H]1O ZINC001047324778 782460052 /nfs/dbraw/zinc/46/00/52/782460052.db2.gz YEPMAGKPWFZWNW-SRVKXCTJSA-N 0 3 271.361 -1.424 20 0 CAADHN C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2ccnn2C)C1 ZINC001047367696 782468220 /nfs/dbraw/zinc/46/82/20/782468220.db2.gz KIZBLELDYGNBOW-WXHSDQCUSA-N 0 3 296.371 -1.153 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncnn2)C1 ZINC001047381415 782469826 /nfs/dbraw/zinc/46/98/26/782469826.db2.gz LGEFDRMVUNSHRL-UWVGGRQHSA-N 0 3 268.321 -1.413 20 0 CAADHN CN(C(=O)Cn1ncnn1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047380987 782471001 /nfs/dbraw/zinc/47/10/01/782471001.db2.gz CLWOTFXPQFOYCI-QWRGUYRKSA-N 0 3 280.332 -1.413 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCOCC2=O)C1 ZINC001047409988 782471662 /nfs/dbraw/zinc/47/16/62/782471662.db2.gz XYTXQOFNCNSJLF-RYUDHWBXSA-N 0 3 299.371 -1.241 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nccn2)C1 ZINC001047397927 782473342 /nfs/dbraw/zinc/47/33/42/782473342.db2.gz ONSNXYGYKOQBAE-UWVGGRQHSA-N 0 3 253.306 -1.199 20 0 CAADHN CN(C(=O)[C@H]1CN(C)C(=O)N1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047485858 782479713 /nfs/dbraw/zinc/47/97/13/782479713.db2.gz BYHGLCCCZWITHO-WOPDTQHZSA-N 0 3 296.371 -1.077 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCNC(=O)C2)C1 ZINC001047484307 782479845 /nfs/dbraw/zinc/47/98/45/782479845.db2.gz RBQPYFTWNDHARD-QWRGUYRKSA-N 0 3 284.360 -2.058 20 0 CAADHN CN(C(=O)[C@@H]1CN(C)C(=O)N1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047485857 782480864 /nfs/dbraw/zinc/48/08/64/782480864.db2.gz BYHGLCCCZWITHO-SRVKXCTJSA-N 0 3 296.371 -1.077 20 0 CAADHN C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001047483688 782481314 /nfs/dbraw/zinc/48/13/14/782481314.db2.gz HHOZNLKIWKDSBW-NDBYEHHHSA-N 0 3 285.388 -1.035 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001047414707 782476176 /nfs/dbraw/zinc/47/61/76/782476176.db2.gz STUGMCXPPLTYRN-GUBZILKMSA-N 0 3 298.343 -1.504 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)Cn2ncn(C)c2=O)C1 ZINC001047434002 782476455 /nfs/dbraw/zinc/47/64/55/782476455.db2.gz PMUHAXHLNMHHBA-QWRGUYRKSA-N 0 3 297.359 -1.506 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(C[C@@H]2CCCOC2)C[C@@H]1O ZINC001047506781 782485418 /nfs/dbraw/zinc/48/54/18/782485418.db2.gz FVLVOIZCFZETQL-DCAQKATOSA-N 0 3 285.344 -1.598 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(C[C@H]2CCCOC2)C[C@@H]1O ZINC001047506782 782485478 /nfs/dbraw/zinc/48/54/78/782485478.db2.gz FVLVOIZCFZETQL-VWYCJHECSA-N 0 3 285.344 -1.598 20 0 CAADHN CN(C(=O)[C@H]1CNC(=O)N1)[C@H]1CN(CC2CC2)C[C@@H]1O ZINC001047507371 782485784 /nfs/dbraw/zinc/48/57/84/782485784.db2.gz OJZZXNQDDDLHLV-VWYCJHECSA-N 0 3 282.344 -1.419 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001047510402 782486768 /nfs/dbraw/zinc/48/67/68/782486768.db2.gz MYKQEMZGHAKYLD-VWYCJHECSA-N 0 3 285.344 -1.598 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(CCC2CC2)C[C@@H]1O ZINC001047510200 782487480 /nfs/dbraw/zinc/48/74/80/782487480.db2.gz HXDXRJLWYLKXND-UWVGGRQHSA-N 0 3 255.318 -1.225 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001047508255 782487590 /nfs/dbraw/zinc/48/75/90/782487590.db2.gz XGYCZKGHJXWELS-GUBZILKMSA-N 0 3 270.333 -1.420 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CC(=O)NC2=O)C1 ZINC001047567342 782490685 /nfs/dbraw/zinc/49/06/85/782490685.db2.gz DZKGURKHIMLQHT-IUCAKERBSA-N 0 3 284.316 -1.938 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001047549637 782490726 /nfs/dbraw/zinc/49/07/26/782490726.db2.gz WEMSHRORNHPOHC-GUBZILKMSA-N 0 3 298.343 -1.502 20 0 CAADHN C[C@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545340 782490873 /nfs/dbraw/zinc/49/08/73/782490873.db2.gz QZLRJKBYLTXWNI-DLOVCJGASA-N 0 3 282.344 -1.164 20 0 CAADHN CCCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001047563479 782491929 /nfs/dbraw/zinc/49/19/29/782491929.db2.gz LMQJRQZMERMCKK-QWRGUYRKSA-N 0 3 297.355 -1.047 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001047526001 782489477 /nfs/dbraw/zinc/48/94/77/782489477.db2.gz DWWRYNMLKJMQQM-FIQHERPVSA-N 0 3 299.371 -1.069 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001047511035 782489600 /nfs/dbraw/zinc/48/96/00/782489600.db2.gz KPWRMFHXUDHYSF-GUBZILKMSA-N 0 3 271.317 -1.988 20 0 CAADHN CN(C(=O)C(N)=O)[C@H]1CN(C[C@H]2CCOC2)C[C@@H]1O ZINC001047511036 782489784 /nfs/dbraw/zinc/48/97/84/782489784.db2.gz KPWRMFHXUDHYSF-UTLUCORTSA-N 0 3 271.317 -1.988 20 0 CAADHN C[C@H]1CCN(CC(=O)N(C)[C@H]2CN(CC(N)=O)C[C@@H]2O)C1 ZINC001047528369 782489973 /nfs/dbraw/zinc/48/99/73/782489973.db2.gz PJDZARJGPODEMC-SRVKXCTJSA-N 0 3 298.387 -1.683 20 0 CAADHN CN(C(=O)Cc1cncn1C)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047598178 782495966 /nfs/dbraw/zinc/49/59/66/782495966.db2.gz YVQIMXANWWYPBQ-STQMWFEESA-N 0 3 296.371 -1.152 20 0 CAADHN C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)Cc2cncn2C)C1 ZINC001047598197 782496218 /nfs/dbraw/zinc/49/62/18/782496218.db2.gz ZLSKUOBHBULWGC-WXHSDQCUSA-N 0 3 296.371 -1.153 20 0 CAADHN CN(C(=O)Cc1c[nH]cn1)[C@H]1CN(CC(N)=O)C[C@@H]1O ZINC001047545300 782492795 /nfs/dbraw/zinc/49/27/95/782492795.db2.gz PLSZHDAWWCZHFL-UWVGGRQHSA-N 0 3 281.316 -2.059 20 0 CAADHN CN(C(=O)c1nc[n-]n1)[C@H]1C[N@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047570003 782493716 /nfs/dbraw/zinc/49/37/16/782493716.db2.gz HXFAEOCWOOYMIF-DCAQKATOSA-N 0 3 295.343 -1.042 20 0 CAADHN CN(C(=O)c1nc[n-]n1)[C@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@@H]1O ZINC001047570003 782493723 /nfs/dbraw/zinc/49/37/23/782493723.db2.gz HXFAEOCWOOYMIF-DCAQKATOSA-N 0 3 295.343 -1.042 20 0 CAADHN CN(C(=O)c1nc[n-]n1)[C@H]1C[N@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047570005 782494189 /nfs/dbraw/zinc/49/41/89/782494189.db2.gz HXFAEOCWOOYMIF-VWYCJHECSA-N 0 3 295.343 -1.042 20 0 CAADHN CN(C(=O)c1nc[n-]n1)[C@H]1C[N@@H+](C[C@H]2CCOC2)C[C@@H]1O ZINC001047570005 782494196 /nfs/dbraw/zinc/49/41/96/782494196.db2.gz HXFAEOCWOOYMIF-VWYCJHECSA-N 0 3 295.343 -1.042 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCC(=O)NC2=O)C1 ZINC001047588887 782498246 /nfs/dbraw/zinc/49/82/46/782498246.db2.gz UMJHTNXWWYOESR-UWVGGRQHSA-N 0 3 298.343 -1.548 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)CN2C(=O)CNC2=O)C1 ZINC001047619266 782500831 /nfs/dbraw/zinc/50/08/31/782500831.db2.gz ILOYPMGSAXCMOA-IUCAKERBSA-N 0 3 284.316 -1.938 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001047614027 782499312 /nfs/dbraw/zinc/49/93/12/782499312.db2.gz VTORVAWYMQCRQS-QWRGUYRKSA-N 0 3 297.359 -1.586 20 0 CAADHN C[C@@H](O)CN1C[C@H](O)[C@@H](N(C)C(=O)CN2CCCC2)C1 ZINC001047627357 782499342 /nfs/dbraw/zinc/49/93/42/782499342.db2.gz POFCGVHRGUCAJM-AGIUHOORSA-N 0 3 285.388 -1.034 20 0 CAADHN CN(C(=O)CN1CCCC1)[C@H]1CN(CCO)C[C@@H]1O ZINC001047627508 782499375 /nfs/dbraw/zinc/49/93/75/782499375.db2.gz RDPQFBVEROCZMI-RYUDHWBXSA-N 0 3 271.361 -1.422 20 0 CAADHN CN(C(=O)Cn1ccnc1)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047647222 782502568 /nfs/dbraw/zinc/50/25/68/782502568.db2.gz RQKNMGREAJRFFI-RYUDHWBXSA-N 0 3 282.344 -1.231 20 0 CAADHN CC(C)(C)[C@@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001253748805 782502634 /nfs/dbraw/zinc/50/26/34/782502634.db2.gz OUTNFJQSHUUTGO-QMMMGPOBSA-N 0 3 288.348 -2.299 20 0 CAADHN C[C@H](NCc1cn(C)nn1)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001047951715 782503885 /nfs/dbraw/zinc/50/38/85/782503885.db2.gz VAOFDORCBCADHX-DTWKUNHWSA-N 0 3 280.332 -1.373 20 0 CAADHN C[C@@H](NCc1nncn1C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001047957295 782503958 /nfs/dbraw/zinc/50/39/58/782503958.db2.gz JCDNDLMWRVBOJM-BDAKNGLRSA-N 0 3 280.332 -1.373 20 0 CAADHN C[C@@H](NCc1nncn1C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001047957301 782504259 /nfs/dbraw/zinc/50/42/59/782504259.db2.gz JCDNDLMWRVBOJM-RKDXNWHRSA-N 0 3 280.332 -1.373 20 0 CAADHN CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001047649891 782502353 /nfs/dbraw/zinc/50/23/53/782502353.db2.gz LOEQIVJIECUPFQ-VWYCJHECSA-N 0 3 297.355 -1.049 20 0 CAADHN CCn1cc(CNC[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)nn1 ZINC001048365848 782510069 /nfs/dbraw/zinc/51/00/69/782510069.db2.gz MFMRWBCYISDCAV-NXEZZACHSA-N 0 3 294.359 -1.033 20 0 CAADHN CN1CCC[C@H]1C(=O)N1C[C@H]2CN(CC(N)=O)C[C@H]2C1 ZINC001048719928 782514391 /nfs/dbraw/zinc/51/43/91/782514391.db2.gz FOSNTTTVOIIPDX-TUAOUCFPSA-N 0 3 280.372 -1.044 20 0 CAADHN CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C1 ZINC001048734459 782516738 /nfs/dbraw/zinc/51/67/38/782516738.db2.gz RBFXMRQPYUVVLI-KXUCPTDWSA-N 0 3 282.344 -1.484 20 0 CAADHN O=C(c1cn[n-]n1)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048914579 782521576 /nfs/dbraw/zinc/52/15/76/782521576.db2.gz SRJLZLHMMIQSIQ-WCABBAIRSA-N 0 3 290.327 -1.303 20 0 CAADHN O=C(c1cn[n-]n1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001048914579 782521584 /nfs/dbraw/zinc/52/15/84/782521584.db2.gz SRJLZLHMMIQSIQ-WCABBAIRSA-N 0 3 290.327 -1.303 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001049023106 782526067 /nfs/dbraw/zinc/52/60/67/782526067.db2.gz NCTLOFLQWKABFS-YIZRAAEISA-N 0 3 268.317 -1.874 20 0 CAADHN Cn1cc(CN2C[C@@H]3CN(C(=O)C(N)=O)C[C@@H]3C2)cn1 ZINC001049020544 782526419 /nfs/dbraw/zinc/52/64/19/782526419.db2.gz GZCAVIPUGLECNS-PHIMTYICSA-N 0 3 277.328 -1.204 20 0 CAADHN CN(C(=O)CN1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1)C1CC1 ZINC001049020981 782526903 /nfs/dbraw/zinc/52/69/03/782526903.db2.gz NINHFZNFMQJHQU-AOOOYVTPSA-N 0 3 294.355 -1.517 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001049023293 782527520 /nfs/dbraw/zinc/52/75/20/782527520.db2.gz UCJPJQYAYMHZMA-XHNCKOQMSA-N 0 3 268.317 -2.004 20 0 CAADHN C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001049023673 782527593 /nfs/dbraw/zinc/52/75/93/782527593.db2.gz ATHURULUWOJLAT-BBBLOLIVSA-N 0 3 294.355 -1.471 20 0 CAADHN C[C@@H](CS(C)(=O)=O)NC[C@@]1(CO)COCCN1C ZINC000903279049 782528528 /nfs/dbraw/zinc/52/85/28/782528528.db2.gz ICINJYHOMKFCQX-WDEREUQCSA-N 0 3 280.390 -1.298 20 0 CAADHN NC(=O)C[N@H+]1C[C@H]2CN(C(=O)Cc3nnc[n-]3)C[C@H]2C1 ZINC001049163773 782529343 /nfs/dbraw/zinc/52/93/43/782529343.db2.gz SQFQNBRURZVFIV-DTORHVGOSA-N 0 3 278.316 -1.777 20 0 CAADHN NC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3nnc[n-]3)C[C@H]2C1 ZINC001049163773 782529352 /nfs/dbraw/zinc/52/93/52/782529352.db2.gz SQFQNBRURZVFIV-DTORHVGOSA-N 0 3 278.316 -1.777 20 0 CAADHN O=C(Cn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001096499381 782531822 /nfs/dbraw/zinc/53/18/22/782531822.db2.gz AWLNUZJFWRWKSQ-VWYCJHECSA-N 0 3 265.317 -1.008 20 0 CAADHN CN1CCOC[C@@]1(CO)CN[C@H]1CCCS(=O)(=O)C1 ZINC000903283016 782532497 /nfs/dbraw/zinc/53/24/97/782532497.db2.gz VZBCFCYEWBVCKZ-RYUDHWBXSA-N 0 3 292.401 -1.154 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001096501545 782532884 /nfs/dbraw/zinc/53/28/84/782532884.db2.gz HPMSKPSYOWOGEX-UTLUCORTSA-N 0 3 296.327 -1.748 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001096511358 782534558 /nfs/dbraw/zinc/53/45/58/782534558.db2.gz BGJMHYYHVAMVGN-VWYCJHECSA-N 0 3 295.339 -1.151 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001096782137 782542539 /nfs/dbraw/zinc/54/25/39/782542539.db2.gz REAKIZNBOIPEGK-MXWKQRLJSA-N 0 3 280.332 -1.223 20 0 CAADHN C[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ncnn1)C2 ZINC001097081678 782545017 /nfs/dbraw/zinc/54/50/17/782545017.db2.gz MBAKHFDJNLWMSM-ZDCRXTMVSA-N 0 3 280.332 -1.225 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCCO ZINC001097081636 782545483 /nfs/dbraw/zinc/54/54/83/782545483.db2.gz KNNXFDSWSCOILW-MXWKQRLJSA-N 0 3 280.332 -1.223 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001097146610 782545976 /nfs/dbraw/zinc/54/59/76/782545976.db2.gz MYCNKLDEOGOYDF-MXWKQRLJSA-N 0 3 265.317 -1.008 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1C(=O)CN1CCNC(=O)C1 ZINC001263107250 782546864 /nfs/dbraw/zinc/54/68/64/782546864.db2.gz SCGXCZAHJIJQAU-VHSXEESVSA-N 0 3 254.334 -1.373 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CCO)c1=O ZINC001097379679 782547488 /nfs/dbraw/zinc/54/74/88/782547488.db2.gz YSAFRNKCPFSWEP-MXWKQRLJSA-N 0 3 295.343 -1.704 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001097643221 782547928 /nfs/dbraw/zinc/54/79/28/782547928.db2.gz ZJEHRAGBFDIRHL-UTUOFQBUSA-N 0 3 296.371 -1.868 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCCN([C@H]2CCC(=O)NC2=O)CC1 ZINC001052672061 782550898 /nfs/dbraw/zinc/55/08/98/782550898.db2.gz LDYLIBNUFIHWMA-BDAKNGLRSA-N 0 3 296.327 -1.752 20 0 CAADHN NC(=O)C(=O)N[C@H]1CCCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC001052672063 782552239 /nfs/dbraw/zinc/55/22/39/782552239.db2.gz LDYLIBNUFIHWMA-DTWKUNHWSA-N 0 3 296.327 -1.752 20 0 CAADHN CN1CC[C@H](N2CCC[C@H](NC(=O)C(N)=O)CC2)C1=O ZINC001052679601 782553716 /nfs/dbraw/zinc/55/37/16/782553716.db2.gz SKUZWYQYBKCRRW-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052674822 782553746 /nfs/dbraw/zinc/55/37/46/782553746.db2.gz UFNAFIVKZBJRBX-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN NC(=O)CN1CCC[C@@H](NC(=O)c2nnc[nH]2)CC1 ZINC001052801390 782553899 /nfs/dbraw/zinc/55/38/99/782553899.db2.gz STRIXZOYAUNBLP-MRVPVSSYSA-N 0 3 266.305 -1.126 20 0 CAADHN NC(=O)CN1CCC[C@@H](NC(=O)c2ncn[nH]2)CC1 ZINC001052801390 782553911 /nfs/dbraw/zinc/55/39/11/782553911.db2.gz STRIXZOYAUNBLP-MRVPVSSYSA-N 0 3 266.305 -1.126 20 0 CAADHN NC(=O)CN1CCC[C@@H](NC(=O)c2nc[nH]n2)CC1 ZINC001052801390 782553920 /nfs/dbraw/zinc/55/39/20/782553920.db2.gz STRIXZOYAUNBLP-MRVPVSSYSA-N 0 3 266.305 -1.126 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052674824 782554475 /nfs/dbraw/zinc/55/44/75/782554475.db2.gz UFNAFIVKZBJRBX-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CNC(=O)[C@H](C)N1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052674887 782555419 /nfs/dbraw/zinc/55/54/19/782555419.db2.gz VVSKWFAQMZBAIQ-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](C(=O)N1CCOC2(CN(CC(N)=O)C2)C1)N(C)C ZINC001053306647 782564047 /nfs/dbraw/zinc/56/40/47/782564047.db2.gz SOBIRZXSRAWWOS-LLVKDONJSA-N 0 3 298.387 -1.275 20 0 CAADHN CC[C@@H](C(=O)N1CCOC2(CN(CC(N)=O)C2)C1)N(C)C ZINC001053432041 782569829 /nfs/dbraw/zinc/56/98/29/782569829.db2.gz SOBIRZXSRAWWOS-NSHDSACASA-N 0 3 298.387 -1.275 20 0 CAADHN COC[C@@H](OC)C(=O)NCCNCC(=O)NC(C)C ZINC001133518020 776780639 /nfs/dbraw/zinc/78/06/39/776780639.db2.gz ZODDMHUWVVNQKU-SNVBAGLBSA-N 0 3 275.349 -1.122 20 0 CAADHN COC[C@@H](OC)C(=O)NCCNCC(=O)NC1CC1 ZINC001133516859 776780769 /nfs/dbraw/zinc/78/07/69/776780769.db2.gz FIYGXBJVKUMCRF-SNVBAGLBSA-N 0 3 273.333 -1.368 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001133513352 776780795 /nfs/dbraw/zinc/78/07/95/776780795.db2.gz OIJQMNQHFHHBOW-YUMQZZPRSA-N 0 3 290.320 -2.063 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001132717828 776749022 /nfs/dbraw/zinc/74/90/22/776749022.db2.gz GDLKRIDMBGGQOL-NOZJJQNGSA-N 0 3 284.360 -1.257 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001132715297 776749115 /nfs/dbraw/zinc/74/91/15/776749115.db2.gz MASLYEDULXDCJJ-CYBMUJFWSA-N 0 3 284.360 -1.255 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)Cc1cnoc1 ZINC001132738422 776749248 /nfs/dbraw/zinc/74/92/48/776749248.db2.gz CMHWCXFPZNNTKM-UHFFFAOYSA-N 0 3 297.315 -1.231 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1cnoc1 ZINC001132739545 776749519 /nfs/dbraw/zinc/74/95/19/776749519.db2.gz RNNJRWCGGPTJAS-UHFFFAOYSA-N 0 3 269.261 -1.882 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001132715577 776749738 /nfs/dbraw/zinc/74/97/38/776749738.db2.gz TXNUGTPQCMUOGZ-CYBMUJFWSA-N 0 3 284.360 -1.303 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001132715298 776749836 /nfs/dbraw/zinc/74/98/36/776749836.db2.gz MASLYEDULXDCJJ-ZDUSSCGKSA-N 0 3 284.360 -1.255 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@]2(C)CCC(=O)NC2)C1=O ZINC001132719021 776749852 /nfs/dbraw/zinc/74/98/52/776749852.db2.gz PSHNKEHVRKMYCH-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)N2CCC2)CCC(=O)NC1 ZINC001132715078 776749879 /nfs/dbraw/zinc/74/98/79/776749879.db2.gz GJGIILYDHXPBJD-CQSZACIVSA-N 0 3 296.371 -1.159 20 0 CAADHN C[C@]1(C(=O)NCCN[C@@H]2CCCNC2=O)CCC(=O)NC1 ZINC001132715662 776749935 /nfs/dbraw/zinc/74/99/35/776749935.db2.gz WEDROBOVXNBWPR-YGRLFVJLSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCNC2=O)CCC(=O)NC1 ZINC001132715439 776750118 /nfs/dbraw/zinc/75/01/18/776750118.db2.gz PPQMSKPONHZMKU-NOZJJQNGSA-N 0 3 282.344 -1.503 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@]2(C)CCC(=O)NC2)C1=O ZINC001132719024 776750131 /nfs/dbraw/zinc/75/01/31/776750131.db2.gz PSHNKEHVRKMYCH-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001132715068 776750254 /nfs/dbraw/zinc/75/02/54/776750254.db2.gz GBPVOQBPOZLNCJ-GFCCVEGCSA-N 0 3 270.333 -1.646 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CNC(=O)N1)C(=O)NC(C)(C)C ZINC001133121530 776763367 /nfs/dbraw/zinc/76/33/67/776763367.db2.gz JUWBKOGZLGFEJN-DTWKUNHWSA-N 0 3 299.375 -1.323 20 0 CAADHN CCCC[C@H](NCCNC(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001133118250 776763475 /nfs/dbraw/zinc/76/34/75/776763475.db2.gz HMIHSMRXYZCLLV-DTWKUNHWSA-N 0 3 285.348 -1.582 20 0 CAADHN CN(CCNCCNC(=O)C(N)=O)S(C)(=O)=O ZINC001133193748 776769968 /nfs/dbraw/zinc/76/99/68/776769968.db2.gz YZAJAJUCBSUKRW-UHFFFAOYSA-N 0 3 266.323 -2.931 20 0 CAADHN Cc1csc(=O)n1CCNCCNC(=O)C(N)=O ZINC001133195337 776770019 /nfs/dbraw/zinc/77/00/19/776770019.db2.gz BVMCUMOMYKWJNS-UHFFFAOYSA-N 0 3 272.330 -1.591 20 0 CAADHN CC(C)(C)n1nnc(CCNCCNC(=O)C(N)=O)n1 ZINC001133195910 776770246 /nfs/dbraw/zinc/77/02/46/776770246.db2.gz ITQMTVYIOXNIDQ-UHFFFAOYSA-N 0 3 283.336 -1.838 20 0 CAADHN COC[C@@H](OC)C(=O)NCCNCC(=O)NCC1CC1 ZINC001133517803 776780977 /nfs/dbraw/zinc/78/09/77/776780977.db2.gz UMYRMFSDDIXWGI-LLVKDONJSA-N 0 3 287.360 -1.120 20 0 CAADHN COc1ncccc1C(=O)NCCNCC(N)=O ZINC001133270179 776774302 /nfs/dbraw/zinc/77/43/02/776774302.db2.gz HJZACZNHIGTYCE-UHFFFAOYSA-N 0 3 252.274 -1.105 20 0 CAADHN COc1ncccc1C(=O)NCCNCC(=O)NC(N)=O ZINC001133271086 776774373 /nfs/dbraw/zinc/77/43/73/776774373.db2.gz USWKXDKTQGEZIC-UHFFFAOYSA-N 0 3 295.299 -1.396 20 0 CAADHN CN(CC(=O)NCCNCC(N)=O)C(=O)c1ccccc1 ZINC001133211622 776774386 /nfs/dbraw/zinc/77/43/86/776774386.db2.gz QACACHVXZPKDNY-UHFFFAOYSA-N 0 3 292.339 -1.050 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1conc1C ZINC001133227571 776774444 /nfs/dbraw/zinc/77/44/44/776774444.db2.gz FAVMELDFJPOISD-UHFFFAOYSA-N 0 3 283.288 -1.242 20 0 CAADHN Cc1nocc1C(=O)NCCNCCNS(C)(=O)=O ZINC001133235442 776774656 /nfs/dbraw/zinc/77/46/56/776774656.db2.gz YHXHBZNNJKTKCL-UHFFFAOYSA-N 0 3 290.345 -1.148 20 0 CAADHN Cc1nocc1C(=O)NCCNCC(=O)NC(N)=O ZINC001133227707 776774670 /nfs/dbraw/zinc/77/46/70/776774670.db2.gz IUYRWQPDHAOVMK-UHFFFAOYSA-N 0 3 269.261 -1.503 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cn(C)c(=O)[nH]1 ZINC001283805144 777919574 /nfs/dbraw/zinc/91/95/74/777919574.db2.gz WMXVYSYUZBKMRO-QMMMGPOBSA-N 0 3 272.305 -1.548 20 0 CAADHN COC[C@H](C)OC[C@H](O)CN1CC[C@@H](O)[C@@H](O)C1 ZINC001119261778 779610029 /nfs/dbraw/zinc/61/00/29/779610029.db2.gz UVPMGKNWXIGCNQ-QCNOEVLYSA-N 0 3 263.334 -1.174 20 0 CAADHN CCCC[C@@H](NC(N)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001153330730 779837630 /nfs/dbraw/zinc/83/76/30/779837630.db2.gz FNCNJBIUDISRRJ-NXEZZACHSA-N 0 3 299.375 -1.192 20 0 CAADHN COCCO[C@H]1C[C@H](CO)CN(C[C@H](O)CO)C1 ZINC001119772652 779625743 /nfs/dbraw/zinc/62/57/43/779625743.db2.gz FVHPJBVIPWYCNI-SRVKXCTJSA-N 0 3 263.334 -1.315 20 0 CAADHN CN(CC1CN(S(C)(=O)=O)C1)[C@H]1CCNC1=O ZINC001119772216 779626213 /nfs/dbraw/zinc/62/62/13/779626213.db2.gz WVUKOVVRUPHMRF-VIFPVBQESA-N 0 3 261.347 -1.302 20 0 CAADHN CCN1CC([C@H](C)NC(=O)CS(=O)(=O)NC)C1 ZINC001276460882 780102357 /nfs/dbraw/zinc/10/23/57/780102357.db2.gz RSFMGASHWUHOMV-QMMMGPOBSA-N 0 3 263.363 -1.008 20 0 CAADHN CCO[C@H]1C[C@@H](NC(=O)C(=O)N2CCNCCNCC2)C1 ZINC001120419524 779635503 /nfs/dbraw/zinc/63/55/03/779635503.db2.gz AQDHWPIWAAYBPB-TXEJJXNPSA-N 0 3 298.387 -1.309 20 0 CAADHN CCON(C)C(=O)CNC[C@@H](O)C[C@@]1(O)CCOC1 ZINC001120519402 779639588 /nfs/dbraw/zinc/63/95/88/779639588.db2.gz JROOKPHULYSORM-JQWIXIFHSA-N 0 3 276.333 -1.112 20 0 CAADHN NC(=O)CCCC(=O)NCCN[C@H]1CCNC1=O ZINC001153455288 779838444 /nfs/dbraw/zinc/83/84/44/779838444.db2.gz GNNYSSOSYJNWQH-QMMMGPOBSA-N 0 3 256.306 -1.764 20 0 CAADHN CCCN1C[C@@H](NC(=O)CNC(=O)OC)[C@@H](O)C1 ZINC001219274695 780205771 /nfs/dbraw/zinc/20/57/71/780205771.db2.gz DDPRAIQGSCAHMW-BDAKNGLRSA-N 0 3 259.306 -1.086 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219403972 780217361 /nfs/dbraw/zinc/21/73/61/780217361.db2.gz BTZZBMXEUURXRE-BDAKNGLRSA-N 0 3 259.306 -1.940 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CCCC(N)=O ZINC001153455795 779838761 /nfs/dbraw/zinc/83/87/61/779838761.db2.gz PHEHQHLMMDAKGP-UHFFFAOYSA-N 0 3 272.349 -1.126 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCCO[C@@H]1CCOC1 ZINC001122235959 779662616 /nfs/dbraw/zinc/66/26/16/779662616.db2.gz OCLAAEHZTHJTJB-MNOVXSKESA-N 0 3 257.334 -1.188 20 0 CAADHN COCCNCC(=O)N1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC001122365573 779666317 /nfs/dbraw/zinc/66/63/17/779666317.db2.gz OFFAZMUOYUVFFL-AOOOYVTPSA-N 0 3 276.358 -1.275 20 0 CAADHN CC(=O)NCCNCC(=O)N1CCC[C@H](C(N)=O)C1 ZINC001122367243 779666578 /nfs/dbraw/zinc/66/65/78/779666578.db2.gz PMSJAICRUZDEJC-JTQLQIEISA-N 0 3 270.333 -1.564 20 0 CAADHN C[C@@H](NCCNC(=O)C(C)(F)F)C(=O)NC(N)=O ZINC001122574384 779671853 /nfs/dbraw/zinc/67/18/53/779671853.db2.gz OHZOHOAXTIFPSI-RXMQYKEDSA-N 0 3 266.248 -1.069 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CC1CC1 ZINC001122538881 779672060 /nfs/dbraw/zinc/67/20/60/779672060.db2.gz KEMYYUVPUXMPPB-UHFFFAOYSA-N 0 3 256.306 -1.052 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccccn1)C(=O)NC(N)=O ZINC001122590274 779672114 /nfs/dbraw/zinc/67/21/14/779672114.db2.gz LGUJQROPUZNAIK-MRVPVSSYSA-N 0 3 279.300 -1.016 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cccnc1 ZINC001122633707 779672200 /nfs/dbraw/zinc/67/22/00/779672200.db2.gz BGKGHMCCSIVTIH-UHFFFAOYSA-N 0 3 265.273 -1.404 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C(C)(F)F ZINC001122574048 779672328 /nfs/dbraw/zinc/67/23/28/779672328.db2.gz HGIRWYVBLFEDCR-UHFFFAOYSA-N 0 3 266.248 -1.197 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccncc1 ZINC001122594062 779672448 /nfs/dbraw/zinc/67/24/48/779672448.db2.gz GHXBVFIYGRCPPJ-UHFFFAOYSA-N 0 3 279.300 -1.143 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCNCC(=O)N1CCC1 ZINC001123063655 779678139 /nfs/dbraw/zinc/67/81/39/779678139.db2.gz YHRWIZVVNFTYJI-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)NC(C)=O ZINC001123072400 779678216 /nfs/dbraw/zinc/67/82/16/779678216.db2.gz OXDNFTILNORWPX-SSDOTTSWSA-N 0 3 287.320 -2.328 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCNCC(=O)NC(C)C ZINC001123071038 779678266 /nfs/dbraw/zinc/67/82/66/779678266.db2.gz BKXXCHRRTGIBNT-SECBINFHSA-N 0 3 272.349 -1.259 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc[n+]([O-])cc1)C(N)=O ZINC001123040356 779678348 /nfs/dbraw/zinc/67/83/48/779678348.db2.gz MXDLPKLSXZDLGW-MRVPVSSYSA-N 0 3 252.274 -1.487 20 0 CAADHN C[C@H](NCCNC(=O)c1cc[n+]([O-])cc1)C(N)=O ZINC001123040363 779678678 /nfs/dbraw/zinc/67/86/78/779678678.db2.gz MXDLPKLSXZDLGW-QMMMGPOBSA-N 0 3 252.274 -1.487 20 0 CAADHN CC[C@H](NCCNC(=O)c1cc[n+]([O-])cc1)C(N)=O ZINC001123046215 779678689 /nfs/dbraw/zinc/67/86/89/779678689.db2.gz AFTUKXQDCXXXFV-JTQLQIEISA-N 0 3 266.301 -1.097 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccc(C(N)=O)cn1 ZINC001153373413 779839096 /nfs/dbraw/zinc/83/90/96/779839096.db2.gz YIXUOEOYAFAKRO-UHFFFAOYSA-N 0 3 293.327 -1.364 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001123072594 779679238 /nfs/dbraw/zinc/67/92/38/779679238.db2.gz TWJYGWRSMZUALW-WCBMZHEXSA-N 0 3 270.333 -1.505 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001123084315 779679278 /nfs/dbraw/zinc/67/92/78/779679278.db2.gz ZZTZPELUWIOUJW-IUCAKERBSA-N 0 3 272.349 -1.307 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001123083066 779679336 /nfs/dbraw/zinc/67/93/36/779679336.db2.gz OMNDBUQBPAOKJT-SCZZXKLOSA-N 0 3 270.333 -1.553 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H](C)NC(C)=O ZINC001123072571 779679451 /nfs/dbraw/zinc/67/94/51/779679451.db2.gz SQZXWNPKPCZARP-VIFPVBQESA-N 0 3 272.349 -1.305 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCNCC(=O)NCC(C)C ZINC001123084223 779679547 /nfs/dbraw/zinc/67/95/47/779679547.db2.gz YHCUOWWKIWAJBB-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H](C)NC(C)=O)C1=O ZINC001123083002 779679705 /nfs/dbraw/zinc/67/97/05/779679705.db2.gz NPWXGYJSJLHYPO-KOLCDFICSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001123084313 779679931 /nfs/dbraw/zinc/67/99/31/779679931.db2.gz ZZTZPELUWIOUJW-BDAKNGLRSA-N 0 3 272.349 -1.307 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(C(N)=O)cn1)C(N)=O ZINC001153373104 779839154 /nfs/dbraw/zinc/83/91/54/779839154.db2.gz SQMAKGLQVKAAFP-SSDOTTSWSA-N 0 3 279.300 -1.626 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001123814567 779693813 /nfs/dbraw/zinc/69/38/13/779693813.db2.gz BZJAVXUOEXTXLF-VIFPVBQESA-N 0 3 284.316 -2.024 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CN(C)C(C)=O ZINC001123805324 779693833 /nfs/dbraw/zinc/69/38/33/779693833.db2.gz MJZGSBSCBFYHQU-UHFFFAOYSA-N 0 3 272.349 -1.351 20 0 CAADHN CC(=O)N(C)CC(=O)NCCNCC(=O)NC(C)C ZINC001123810656 779693926 /nfs/dbraw/zinc/69/39/26/779693926.db2.gz PCWVCFYFNYELMK-UHFFFAOYSA-N 0 3 272.349 -1.305 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001123819863 779694144 /nfs/dbraw/zinc/69/41/44/779694144.db2.gz FUUGQNOYZVOZFS-ZETCQYMHSA-N 0 3 287.320 -2.246 20 0 CAADHN CC(=O)N(C)CC(=O)NCCNCC(=O)NCC(C)C ZINC001123815568 779694169 /nfs/dbraw/zinc/69/41/69/779694169.db2.gz YSFZLKOMZDWAHJ-UHFFFAOYSA-N 0 3 286.376 -1.057 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CN(C)C(C)=O ZINC001123810327 779694344 /nfs/dbraw/zinc/69/43/44/779694344.db2.gz MBFXBMIQTNDMLL-UHFFFAOYSA-N 0 3 272.349 -1.303 20 0 CAADHN CC(=O)N(C)CC(=O)NCCN[C@@H]1CCNC1=O ZINC001123810347 779694454 /nfs/dbraw/zinc/69/44/54/779694454.db2.gz MMCDQPNDHAQINU-SECBINFHSA-N 0 3 256.306 -1.941 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN(C)C(C)=O ZINC001123814545 779694592 /nfs/dbraw/zinc/69/45/92/779694592.db2.gz BDKJNHLWSFSLOA-QMMMGPOBSA-N 0 3 258.322 -1.695 20 0 CAADHN NC(=O)CCCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001153461337 779839353 /nfs/dbraw/zinc/83/93/53/779839353.db2.gz LADGWHPGLBZFEL-QMMMGPOBSA-N 0 3 284.316 -1.847 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)COCC1CC1 ZINC001124026251 779700542 /nfs/dbraw/zinc/70/05/42/779700542.db2.gz QBLFLBZPNWRFID-UHFFFAOYSA-N 0 3 293.389 -1.332 20 0 CAADHN CCOCCCC(=O)NCCNCC(=O)NC(N)=O ZINC001123992241 779700744 /nfs/dbraw/zinc/70/07/44/779700744.db2.gz GISJHSYSXOTHGR-UHFFFAOYSA-N 0 3 274.321 -1.296 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)C[C@@H]1CCCO1 ZINC001124008697 779700860 /nfs/dbraw/zinc/70/08/60/779700860.db2.gz CISJIVHBOSEKHT-JTQLQIEISA-N 0 3 293.389 -1.190 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCCO1)C(=O)NC(N)=O ZINC001124017392 779700956 /nfs/dbraw/zinc/70/09/56/779700956.db2.gz BYZVPXKBGGEMBO-BDAKNGLRSA-N 0 3 286.332 -1.155 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)C[C@H]1CCCO1 ZINC001124008698 779701071 /nfs/dbraw/zinc/70/10/71/779701071.db2.gz CISJIVHBOSEKHT-SNVBAGLBSA-N 0 3 293.389 -1.190 20 0 CAADHN NC(=O)CCCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001153461326 779839402 /nfs/dbraw/zinc/83/94/02/779839402.db2.gz LADGWHPGLBZFEL-MRVPVSSYSA-N 0 3 284.316 -1.847 20 0 CAADHN COC(=O)NCC(=O)NCCNCC(=O)NC(C)C ZINC001124186345 779705691 /nfs/dbraw/zinc/70/56/91/779705691.db2.gz FWGMTCDWMCRNEL-UHFFFAOYSA-N 0 3 274.321 -1.427 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)OC ZINC001124176374 779705860 /nfs/dbraw/zinc/70/58/60/779705860.db2.gz FVSSZXSQBRPGDZ-SSDOTTSWSA-N 0 3 260.294 -1.817 20 0 CAADHN COC(=O)NCC(=O)NCCNCC(=O)N1CCCC1 ZINC001124181460 779705890 /nfs/dbraw/zinc/70/58/90/779705890.db2.gz HAXBPDOBHOOSKI-UHFFFAOYSA-N 0 3 286.332 -1.329 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CNC(=O)OC ZINC001124176375 779706085 /nfs/dbraw/zinc/70/60/85/779706085.db2.gz FVSSZXSQBRPGDZ-ZETCQYMHSA-N 0 3 260.294 -1.817 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccon1 ZINC001124190821 779706228 /nfs/dbraw/zinc/70/62/28/779706228.db2.gz HIYSXCTTWZOCDK-UHFFFAOYSA-N 0 3 255.234 -1.811 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)CNC(=O)OC ZINC001124186653 779706240 /nfs/dbraw/zinc/70/62/40/779706240.db2.gz MUNAGLNAQLVQLU-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccon1 ZINC001124190771 779706282 /nfs/dbraw/zinc/70/62/82/779706282.db2.gz FYBHROHRQYAJPQ-SSDOTTSWSA-N 0 3 283.288 -1.162 20 0 CAADHN COC(=O)NCC(=O)NCCNCCNS(C)(=O)=O ZINC001124177597 779706749 /nfs/dbraw/zinc/70/67/49/779706749.db2.gz ZEBJMCLJCNHDJT-UHFFFAOYSA-N 0 3 296.349 -2.403 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CNC(=O)OC)C1=O ZINC001124176881 779706816 /nfs/dbraw/zinc/70/68/16/779706816.db2.gz LUWZLXWNYUDQIQ-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)[C@H](C)OC ZINC001124273122 779707319 /nfs/dbraw/zinc/70/73/19/779707319.db2.gz LRTBSOHYWDFWBV-JTQLQIEISA-N 0 3 275.349 -1.120 20 0 CAADHN Cc1cc(C(=O)NCCNCC(=O)NC(N)=O)n(C)n1 ZINC001124256808 779707339 /nfs/dbraw/zinc/70/73/39/779707339.db2.gz FUFAYIYPGUQCIW-UHFFFAOYSA-N 0 3 282.304 -1.757 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H](C)C(N)=O)n(C)n1 ZINC001124256822 779707537 /nfs/dbraw/zinc/70/75/37/779707537.db2.gz GLQVICPNYYATNH-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cc(C)n[nH]1 ZINC001124233804 779707584 /nfs/dbraw/zinc/70/75/84/779707584.db2.gz UMFPGCSPOSBTNJ-UHFFFAOYSA-N 0 3 296.331 -1.117 20 0 CAADHN CCCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)OC ZINC001124273346 779707595 /nfs/dbraw/zinc/70/75/95/779707595.db2.gz NCFMGYSGJRWECS-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)[C@@H](C)OC ZINC001124272769 779707608 /nfs/dbraw/zinc/70/76/08/779707608.db2.gz HUTIQCNDRPJNNJ-SNVBAGLBSA-N 0 3 275.349 -1.120 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cncs1 ZINC001124238652 779707645 /nfs/dbraw/zinc/70/76/45/779707645.db2.gz RUSMHAQWRBWTGQ-UHFFFAOYSA-N 0 3 271.302 -1.343 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cc(C)n[nH]1 ZINC001124233263 779707708 /nfs/dbraw/zinc/70/77/08/779707708.db2.gz CZNRKBIOHWRFKD-UHFFFAOYSA-N 0 3 282.304 -1.507 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H](C)C(N)=O)nn1C ZINC001124265369 779707756 /nfs/dbraw/zinc/70/77/56/779707756.db2.gz OBRLBIHCWVYAFQ-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)[nH]n1 ZINC001124233277 779707849 /nfs/dbraw/zinc/70/78/49/779707849.db2.gz DMWFPXCOALXVSU-MRVPVSSYSA-N 0 3 279.300 -1.157 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1ccon1 ZINC001124205182 779708087 /nfs/dbraw/zinc/70/80/87/779708087.db2.gz NQQLMHMAEZFHGJ-UHFFFAOYSA-N 0 3 276.318 -1.457 20 0 CAADHN CO[C@@H](C)C(=O)NCCNCCN1CCCS1(=O)=O ZINC001124272737 779708154 /nfs/dbraw/zinc/70/81/54/779708154.db2.gz HFNICJIAGOTARS-JTQLQIEISA-N 0 3 293.389 -1.237 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)[nH]n1 ZINC001124233278 779708200 /nfs/dbraw/zinc/70/82/00/779708200.db2.gz DMWFPXCOALXVSU-QMMMGPOBSA-N 0 3 279.300 -1.157 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](C)OC ZINC001124273940 779708212 /nfs/dbraw/zinc/70/82/12/779708212.db2.gz TVCSMPKBHPFKTR-ZETCQYMHSA-N 0 3 260.294 -1.817 20 0 CAADHN CNC(=O)CN1CCCC12CCN(C(=O)C(N)=O)CC2 ZINC001142931898 779763789 /nfs/dbraw/zinc/76/37/89/779763789.db2.gz QZXCIWQTDQRUBZ-UHFFFAOYSA-N 0 3 282.344 -1.325 20 0 CAADHN NC(=O)CNCCNC(=O)COCc1cccnc1 ZINC001149181723 779773628 /nfs/dbraw/zinc/77/36/28/779773628.db2.gz PDTFBUKLOHBBNQ-UHFFFAOYSA-N 0 3 266.301 -1.211 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2CNC(=O)C2)CC1 ZINC001143305176 779773815 /nfs/dbraw/zinc/77/38/15/779773815.db2.gz ORUYIBXERYHRTR-VIFPVBQESA-N 0 3 255.318 -1.305 20 0 CAADHN CCc1nc[nH]c1C(=O)NCCNCC(=O)NC(N)=O ZINC001149442026 779777450 /nfs/dbraw/zinc/77/74/50/779777450.db2.gz WJQFZFFXITWIEM-UHFFFAOYSA-N 0 3 282.304 -1.514 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001149455294 779777917 /nfs/dbraw/zinc/77/79/17/779777917.db2.gz JNTKMSJCPJFKCW-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149455186 779778142 /nfs/dbraw/zinc/77/81/42/779778142.db2.gz GYUCBHOJRCOBFT-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CCc1nc[nH]c1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001149441804 779778162 /nfs/dbraw/zinc/77/81/62/779778162.db2.gz RNRMRMYUKWJXJJ-SSDOTTSWSA-N 0 3 296.331 -1.125 20 0 CAADHN CN1C(=O)CCC[C@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001149455106 779778171 /nfs/dbraw/zinc/77/81/71/779778171.db2.gz DRELNNCNDRWDPB-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)CCNC(N)=O ZINC001150432505 779794226 /nfs/dbraw/zinc/79/42/26/779794226.db2.gz UIMPDBLJHFHSOH-VIFPVBQESA-N 0 3 287.364 -1.335 20 0 CAADHN CN(C(=O)CNCCNC(=O)CCNC(N)=O)C1CC1 ZINC001150423074 779794282 /nfs/dbraw/zinc/79/42/82/779794282.db2.gz CSMHFDSENNLZED-UHFFFAOYSA-N 0 3 285.348 -1.629 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)CCNC(N)=O ZINC001150432199 779794453 /nfs/dbraw/zinc/79/44/53/779794453.db2.gz NFONGQBUBYRLOR-UHFFFAOYSA-N 0 3 287.364 -1.477 20 0 CAADHN CN(C)C(=O)CC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150418346 779794538 /nfs/dbraw/zinc/79/45/38/779794538.db2.gz YXHHSBMNQSGXNZ-NSHDSACASA-N 0 3 287.360 -1.336 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CCNC(N)=O ZINC001150424687 779794708 /nfs/dbraw/zinc/79/47/08/779794708.db2.gz ZHTMELMCVCFQNC-UHFFFAOYSA-N 0 3 273.337 -1.725 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCNC(N)=O ZINC001150423920 779794719 /nfs/dbraw/zinc/79/47/19/779794719.db2.gz MIZINCYSNLAWQB-UHFFFAOYSA-N 0 3 288.308 -2.794 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NC[C@@H]1CN(CCO)CCCO1 ZINC001150434920 779794782 /nfs/dbraw/zinc/79/47/82/779794782.db2.gz FIDBNUAYDHMDAF-VXGBXAGGSA-N 0 3 299.371 -1.146 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CCNC(N)=O)C1=O ZINC001150431852 779794808 /nfs/dbraw/zinc/79/48/08/779794808.db2.gz JFUGVOBXNFRPSK-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)CCNC(N)=O ZINC001150423434 779794851 /nfs/dbraw/zinc/79/48/51/779794851.db2.gz GFAJVAFMDDHOKT-SECBINFHSA-N 0 3 287.364 -1.335 20 0 CAADHN NC(=O)NCCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001150415380 779795020 /nfs/dbraw/zinc/79/50/20/779795020.db2.gz VEWSNGUBSUPWJT-UHFFFAOYSA-N 0 3 299.375 -1.237 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H](C)CS(C)(=O)=O)C(N)=O ZINC001152617820 779826900 /nfs/dbraw/zinc/82/69/00/779826900.db2.gz FESLZNYSPNWZCM-RKDXNWHRSA-N 0 3 293.389 -1.363 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001152522348 779826986 /nfs/dbraw/zinc/82/69/86/779826986.db2.gz MALRXRNPSZBSJM-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@H]2CCNC2=O)CCC1=O ZINC001152522307 779826997 /nfs/dbraw/zinc/82/69/97/779826997.db2.gz LETCNWGMDJLFBC-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)NC2CC2)CCC1=O ZINC001152521686 779827380 /nfs/dbraw/zinc/82/73/80/779827380.db2.gz CIXGMYAXEFHIFF-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001152522349 779827400 /nfs/dbraw/zinc/82/74/00/779827400.db2.gz MALRXRNPSZBSJM-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@@H]2CCNC2=O)CCC1=O ZINC001152522304 779827511 /nfs/dbraw/zinc/82/75/11/779827511.db2.gz LETCNWGMDJLFBC-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCC(=O)N(C)C1)C(N)=O ZINC001152509133 779827682 /nfs/dbraw/zinc/82/76/82/779827682.db2.gz QQFDDNHGPCPSMU-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC(=O)N(C)C1)C(N)=O ZINC001152509134 779827752 /nfs/dbraw/zinc/82/77/52/779827752.db2.gz QQFDDNHGPCPSMU-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H](C)CS(C)(=O)=O)C(N)=O ZINC001152617817 779827862 /nfs/dbraw/zinc/82/78/62/779827862.db2.gz FESLZNYSPNWZCM-IUCAKERBSA-N 0 3 293.389 -1.363 20 0 CAADHN C[C@H](NCCNC(=O)c1cccc(C(N)=O)n1)C(N)=O ZINC001152848548 779832203 /nfs/dbraw/zinc/83/22/03/779832203.db2.gz LBGFYZOIFKQBIZ-ZETCQYMHSA-N 0 3 279.300 -1.626 20 0 CAADHN CN(C)c1ccc(C(=O)NCCNCC(N)=O)nc1 ZINC001152816685 779832901 /nfs/dbraw/zinc/83/29/01/779832901.db2.gz IUGDEBXGDNLJLV-UHFFFAOYSA-N 0 3 265.317 -1.048 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cccc(C(N)=O)n1 ZINC001152848602 779833202 /nfs/dbraw/zinc/83/32/02/779833202.db2.gz NGQHPFCWMOFBLL-UHFFFAOYSA-N 0 3 293.327 -1.412 20 0 CAADHN CCOC(=O)[C@@H](N)C(=O)N1CCOC2(CNC2)C1 ZINC001118576600 779577708 /nfs/dbraw/zinc/57/77/08/779577708.db2.gz RIBQNWPNOKPGQE-QMMMGPOBSA-N 0 3 257.290 -1.922 20 0 CAADHN O=C([C@H]1CCNC(=O)C1)N1CCOC2(CNC2)C1 ZINC001118579521 779577994 /nfs/dbraw/zinc/57/79/94/779577994.db2.gz KZQAJEVTBRAZTN-VIFPVBQESA-N 0 3 253.302 -1.287 20 0 CAADHN Cn1cnn(CC(=O)N2CCOC3(CNC3)C2)c1=O ZINC001118575909 779578020 /nfs/dbraw/zinc/57/80/20/779578020.db2.gz BAZNGPGQTDFOFF-UHFFFAOYSA-N 0 3 267.289 -2.217 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@H](C)N ZINC001118809905 779588750 /nfs/dbraw/zinc/58/87/50/779588750.db2.gz OUKRLHPREUCMOS-FXQIFTODSA-N 0 3 298.299 -1.972 20 0 CAADHN Nc1nc(N)nc(NCCC2CS(=O)(=O)C2)n1 ZINC001118807886 779588967 /nfs/dbraw/zinc/58/89/67/779588967.db2.gz LHXSNPIDJABAAO-UHFFFAOYSA-N 0 3 258.307 -1.117 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)[C@@H](C)N ZINC001118809904 779589127 /nfs/dbraw/zinc/58/91/27/779589127.db2.gz OUKRLHPREUCMOS-CSMHCCOUSA-N 0 3 298.299 -1.972 20 0 CAADHN Nc1nc(N)nc(N2CCN3C(=O)NC[C@@H]3C2)n1 ZINC001118863364 779591851 /nfs/dbraw/zinc/59/18/51/779591851.db2.gz OFOHTLWLZIGZNN-RXMQYKEDSA-N 0 3 250.266 -1.750 20 0 CAADHN Nc1nc(N)nc(N2CCN3C(=O)NC[C@H]3C2)n1 ZINC001118863365 779591940 /nfs/dbraw/zinc/59/19/40/779591940.db2.gz OFOHTLWLZIGZNN-YFKPBYRVSA-N 0 3 250.266 -1.750 20 0 CAADHN CC(=O)NC[C@@H]1CN(c2nc(N)nc(N)n2)CCO1 ZINC001118863400 779591967 /nfs/dbraw/zinc/59/19/67/779591967.db2.gz PQLOZSNMYJWWAG-SSDOTTSWSA-N 0 3 267.293 -1.623 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NCCN1CC[C@@H](O)C1 ZINC001118952526 779600339 /nfs/dbraw/zinc/60/03/39/779600339.db2.gz DSJIHGURWFUHRR-NXEZZACHSA-N 0 3 255.318 -1.162 20 0 CAADHN O=C(CCn1cncn1)NCCN1CC[C@H](O)C1 ZINC001118962514 779600365 /nfs/dbraw/zinc/60/03/65/779600365.db2.gz LFXLFVRUVXECSQ-JTQLQIEISA-N 0 3 253.306 -1.149 20 0 CAADHN Cn1nnc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)n1 ZINC001119252646 779609700 /nfs/dbraw/zinc/60/97/00/779609700.db2.gz KSOLTYJBXWULAZ-RKDXNWHRSA-N 0 3 266.305 -1.197 20 0 CAADHN COC(=O)[C@]1(F)CCN(S(=O)(=O)CCN)C1 ZINC001238933305 780526351 /nfs/dbraw/zinc/52/63/51/780526351.db2.gz JZNKFXLAJXGYIP-QMMMGPOBSA-N 0 3 254.283 -1.138 20 0 CAADHN NCCS(=O)(=O)N1CCC2(CNC(=O)C2)CC1 ZINC001238922738 780526366 /nfs/dbraw/zinc/52/63/66/780526366.db2.gz ULRAUKWUAIEROZ-UHFFFAOYSA-N 0 3 261.347 -1.123 20 0 CAADHN CCOC(=O)[C@H]1CNCCN1S(=O)(=O)CCN ZINC001238987935 780527023 /nfs/dbraw/zinc/52/70/23/780527023.db2.gz ISKMBVACSWIBTJ-MRVPVSSYSA-N 0 3 265.335 -1.888 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)CCN ZINC001238987326 780527926 /nfs/dbraw/zinc/52/79/26/780527926.db2.gz GABMBWOQHOMEGZ-RQJHMYQMSA-N 0 3 254.283 -1.140 20 0 CAADHN C[C@@]1(CO)CCN(S(=O)(=O)CCN)C[C@H]1O ZINC001238987535 780527944 /nfs/dbraw/zinc/52/79/44/780527944.db2.gz RXIIRLQZERKWBV-BDAKNGLRSA-N 0 3 252.336 -1.660 20 0 CAADHN NCCS(=O)(=O)N1CCC2(C[C@@H](O)CO2)CC1 ZINC001239010458 780528020 /nfs/dbraw/zinc/52/80/20/780528020.db2.gz UDEXWWKRORRVNS-SECBINFHSA-N 0 3 264.347 -1.109 20 0 CAADHN CN1C(=O)CC[C@@H]2[C@H]1CCN2S(=O)(=O)CCN ZINC001239079979 780529984 /nfs/dbraw/zinc/52/99/84/780529984.db2.gz ACTMNMSDNDVMJR-RKDXNWHRSA-N 0 3 261.347 -1.030 20 0 CAADHN CCOC(=O)C1=C(O)CCCN1S(=O)(=O)CCN ZINC001239087496 780530197 /nfs/dbraw/zinc/53/01/97/780530197.db2.gz OUQNJGXEHJVLNE-VIFPVBQESA-N 0 3 278.330 -1.129 20 0 CAADHN NCCS(=O)(=O)N1CCN(c2cccnn2)CC1 ZINC001239089555 780530373 /nfs/dbraw/zinc/53/03/73/780530373.db2.gz AGLHZEAYRHBBGE-UHFFFAOYSA-N 0 3 271.346 -1.113 20 0 CAADHN COC(=O)C[C@H]1CNCCN1S(=O)(=O)CCN ZINC001239095294 780530612 /nfs/dbraw/zinc/53/06/12/780530612.db2.gz UYYLPLKLBVYPBW-QMMMGPOBSA-N 0 3 265.335 -1.888 20 0 CAADHN COC[C@@H]1c2nnn(C)c2CCN1S(=O)(=O)CCN ZINC001239077700 780530624 /nfs/dbraw/zinc/53/06/24/780530624.db2.gz SYVQOGCCCIDBRH-SECBINFHSA-N 0 3 289.361 -1.351 20 0 CAADHN CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)CCN)C1 ZINC001239086096 780530635 /nfs/dbraw/zinc/53/06/35/780530635.db2.gz QFBMNYCJAHIGDW-SSDOTTSWSA-N 0 3 256.349 -1.606 20 0 CAADHN CCOC(=O)C1=C(O)CCCN1S(=O)(=O)CCN ZINC001239087491 780530761 /nfs/dbraw/zinc/53/07/61/780530761.db2.gz OUQNJGXEHJVLNE-SECBINFHSA-N 0 3 278.330 -1.129 20 0 CAADHN CNC(=O)c1cnc2n1CCN(S(=O)(=O)CCN)C2 ZINC001239076881 780530800 /nfs/dbraw/zinc/53/08/00/780530800.db2.gz HLNXSGDNNIHTJN-UHFFFAOYSA-N 0 3 287.345 -1.653 20 0 CAADHN CCN(CCN1CCOCC1)S(=O)(=O)CCN ZINC001239100744 780530868 /nfs/dbraw/zinc/53/08/68/780530868.db2.gz KCLRKZOHVNMVGK-UHFFFAOYSA-N 0 3 265.379 -1.071 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2ccn(C)n2)C[C@H]1N ZINC001239134326 780532369 /nfs/dbraw/zinc/53/23/69/780532369.db2.gz HFHFHDGENJONJQ-HTQZYQBOSA-N 0 3 288.329 -1.459 20 0 CAADHN NCCS(=O)(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001239132564 780532483 /nfs/dbraw/zinc/53/24/83/780532483.db2.gz JPQCWUAYLAZGFO-JTQLQIEISA-N 0 3 274.346 -1.262 20 0 CAADHN CCOC(=O)CS(=O)(=O)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239137012 780532497 /nfs/dbraw/zinc/53/24/97/780532497.db2.gz VVUPKVMEOVWQBE-SFYZADRCSA-N 0 3 294.329 -1.689 20 0 CAADHN COC(=O)CCS(=O)(=O)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239136489 780532606 /nfs/dbraw/zinc/53/26/06/780532606.db2.gz SUGYDMOXDYWOJK-JGVFFNPUSA-N 0 3 294.329 -1.689 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)C2CCOCC2)C[C@H]1N ZINC001239134318 780532705 /nfs/dbraw/zinc/53/27/05/780532705.db2.gz HCSAPHDZXJCNFO-NXEZZACHSA-N 0 3 292.357 -1.073 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@H]1N ZINC001239134299 780532813 /nfs/dbraw/zinc/53/28/13/780532813.db2.gz LKMRRGQDMNQTJE-HTQZYQBOSA-N 0 3 288.329 -1.459 20 0 CAADHN COCCS(=O)(=O)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239136952 780532854 /nfs/dbraw/zinc/53/28/54/780532854.db2.gz VJCAUSUAABDELO-HTQZYQBOSA-N 0 3 266.319 -1.605 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2nccn2C)C[C@@H]1N ZINC001239134740 780532873 /nfs/dbraw/zinc/53/28/73/780532873.db2.gz JOIXTJWHKRMWBF-SFYZADRCSA-N 0 3 288.329 -1.459 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@@H]1N ZINC001239134301 780532882 /nfs/dbraw/zinc/53/28/82/780532882.db2.gz LKMRRGQDMNQTJE-SFYZADRCSA-N 0 3 288.329 -1.459 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)c2ccn(C)n2)C[C@H]1N ZINC001239134327 780533021 /nfs/dbraw/zinc/53/30/21/780533021.db2.gz HFHFHDGENJONJQ-JGVFFNPUSA-N 0 3 288.329 -1.459 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)N(C)C)C[C@H]1N ZINC001239134250 780533056 /nfs/dbraw/zinc/53/30/56/780533056.db2.gz KAAQHLYNEXKCRP-RNFRBKRXSA-N 0 3 251.308 -1.775 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2nccn2C)C[C@H]1N ZINC001239134738 780533105 /nfs/dbraw/zinc/53/31/05/780533105.db2.gz JOIXTJWHKRMWBF-HTQZYQBOSA-N 0 3 288.329 -1.459 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@H]1N ZINC001239133569 780533123 /nfs/dbraw/zinc/53/31/23/780533123.db2.gz CONWYSGAWUIPCD-NKWVEPMBSA-N 0 3 274.302 -1.470 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)c2ccn(C)n2)C[C@@H]1N ZINC001239134329 780533146 /nfs/dbraw/zinc/53/31/46/780533146.db2.gz HFHFHDGENJONJQ-YUMQZZPRSA-N 0 3 288.329 -1.459 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)c2cn[nH]c2)C[C@@H]1N ZINC001239136260 780533253 /nfs/dbraw/zinc/53/32/53/780533253.db2.gz RAXAKFLJVZNKRN-SFYZADRCSA-N 0 3 274.302 -1.470 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H]1N ZINC001239134787 780533302 /nfs/dbraw/zinc/53/33/02/780533302.db2.gz KFUYHBAOZGPVMD-BBBLOLIVSA-N 0 3 292.357 -1.073 20 0 CAADHN COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCN ZINC001239126918 780533329 /nfs/dbraw/zinc/53/33/29/780533329.db2.gz LFYAQOKNOVBHAR-QMMMGPOBSA-N 0 3 293.345 -1.972 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)CCN)CCCO1 ZINC001239127207 780533342 /nfs/dbraw/zinc/53/33/42/780533342.db2.gz QGSPDAZIOSSRKS-MRVPVSSYSA-N 0 3 266.319 -1.461 20 0 CAADHN COCCS(=O)(=O)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239136953 780533439 /nfs/dbraw/zinc/53/34/39/780533439.db2.gz VJCAUSUAABDELO-JGVFFNPUSA-N 0 3 266.319 -1.605 20 0 CAADHN COCCS(=O)(=O)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239136955 780533465 /nfs/dbraw/zinc/53/34/65/780533465.db2.gz VJCAUSUAABDELO-YUMQZZPRSA-N 0 3 266.319 -1.605 20 0 CAADHN COC(=O)CCS(=O)(=O)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239136493 780533487 /nfs/dbraw/zinc/53/34/87/780533487.db2.gz SUGYDMOXDYWOJK-YUMQZZPRSA-N 0 3 294.329 -1.689 20 0 CAADHN COC(=O)CS(=O)(=O)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239133474 780533524 /nfs/dbraw/zinc/53/35/24/780533524.db2.gz DEDLICWGARHNOP-RQJHMYQMSA-N 0 3 280.302 -2.079 20 0 CAADHN CCOC(=O)CS(=O)(=O)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239137009 780533616 /nfs/dbraw/zinc/53/36/16/780533616.db2.gz VVUPKVMEOVWQBE-HTQZYQBOSA-N 0 3 294.329 -1.689 20 0 CAADHN COC(=O)[C@H](C)NC(=O)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239299304 780534690 /nfs/dbraw/zinc/53/46/90/780534690.db2.gz RKCQRULKYABBGX-XLPZGREQSA-N 0 3 273.289 -1.310 20 0 CAADHN CCNC(=O)COC1CCN(S(=O)(=O)CCN)CC1 ZINC001239165606 780534974 /nfs/dbraw/zinc/53/49/74/780534974.db2.gz OVQUCLRUHJMGIK-UHFFFAOYSA-N 0 3 293.389 -1.108 20 0 CAADHN CC1=NC2(CCN(S(=O)(=O)CCN)CC2)C(=O)N1C ZINC001239153922 780534996 /nfs/dbraw/zinc/53/49/96/780534996.db2.gz SGBPERZKVPUUIV-UHFFFAOYSA-N 0 3 288.373 -1.000 20 0 CAADHN COC(=O)[C@@]1(C)COCCN1S(=O)(=O)CCN ZINC001239162976 780535130 /nfs/dbraw/zinc/53/51/30/780535130.db2.gz OCNBTUKFKBHMFW-SECBINFHSA-N 0 3 266.319 -1.461 20 0 CAADHN CCOC(=O)[C@H]1CNCCN1[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246601244 780558296 /nfs/dbraw/zinc/55/82/96/780558296.db2.gz IREBAESGBHUQQB-GARJFASQSA-N 0 3 285.344 -1.273 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CCOC3(CNC3)C2)CN1 ZINC001246619008 780558461 /nfs/dbraw/zinc/55/84/61/780558461.db2.gz GNBJIMIKTAUOEL-ZJUUUORDSA-N 0 3 255.318 -1.436 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CC3(C2)CNCCO3)CN1 ZINC001246617456 780558764 /nfs/dbraw/zinc/55/87/64/780558764.db2.gz CDWXUAKHNVXRHG-ZJUUUORDSA-N 0 3 255.318 -1.436 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CCOC[C@@]3(CNCCO3)C2)CN1 ZINC001246602090 780558778 /nfs/dbraw/zinc/55/87/78/780558778.db2.gz IYRLUCUHRVKWFS-MBNYWOFBSA-N 0 3 299.371 -1.419 20 0 CAADHN CN1CCC[C@@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001251264530 780575169 /nfs/dbraw/zinc/57/51/69/780575169.db2.gz YJFLBIOKDSAMSU-MRVPVSSYSA-N 0 3 254.290 -1.251 20 0 CAADHN CC(C)[C@H](O)CNCC(=O)NCC(=O)NCC(N)=O ZINC001253787846 780595464 /nfs/dbraw/zinc/59/54/64/780595464.db2.gz LHKZXAQYKMVINV-MRVPVSSYSA-N 0 3 274.321 -2.689 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)NC(N)=O)C(=O)C=C1CCC1 ZINC001278744873 780596187 /nfs/dbraw/zinc/59/61/87/780596187.db2.gz XAKDMOTUVWEARO-JTQLQIEISA-N 0 3 298.343 -1.300 20 0 CAADHN CN(C[C@H](O)CNCC(=O)NC(N)=O)C(=O)C=C1CCC1 ZINC001278744874 780596244 /nfs/dbraw/zinc/59/62/44/780596244.db2.gz XAKDMOTUVWEARO-SNVBAGLBSA-N 0 3 298.343 -1.300 20 0 CAADHN C[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)C1CC1 ZINC001278744656 780596392 /nfs/dbraw/zinc/59/63/92/780596392.db2.gz VUAZHSMYTSPPTL-WCBMZHEXSA-N 0 3 257.334 -1.073 20 0 CAADHN CCOCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cn[n-]n1 ZINC001278773771 780602112 /nfs/dbraw/zinc/60/21/12/780602112.db2.gz KQOUWJNHMZQHPC-SECBINFHSA-N 0 3 271.321 -1.136 20 0 CAADHN O=S1(=O)CC[C@H](NCCOCCOCCO)C1 ZINC001254318358 780602160 /nfs/dbraw/zinc/60/21/60/780602160.db2.gz YKROEEYRHCUUCW-JTQLQIEISA-N 0 3 267.347 -1.211 20 0 CAADHN CCOCCN1CC[C@@](O)(CNC(=O)[C@H]2CCNC2=O)C1 ZINC001278794704 780605308 /nfs/dbraw/zinc/60/53/08/780605308.db2.gz GKCOXRUSIXYLOQ-SMDDNHRTSA-N 0 3 299.371 -1.288 20 0 CAADHN CC(=O)NCC(=O)N(C)C[C@H](O)CN(C)CCO ZINC001278844890 780612329 /nfs/dbraw/zinc/61/23/29/780612329.db2.gz OHPJDUKCZAPWMH-SNVBAGLBSA-N 0 3 261.322 -2.134 20 0 CAADHN NC(=O)[C@@H](CO)NC1CCN(C(=O)C(F)(F)F)CC1 ZINC001255974870 780619335 /nfs/dbraw/zinc/61/93/35/780619335.db2.gz HHYLYJUBZKPQEF-SSDOTTSWSA-N 0 3 283.250 -1.025 20 0 CAADHN CS(=O)(=O)N1CCC(N[C@H](CO)C(N)=O)CC1 ZINC001257227998 780628602 /nfs/dbraw/zinc/62/86/02/780628602.db2.gz CETNURDFVNZIAE-MRVPVSSYSA-N 0 3 265.335 -2.154 20 0 CAADHN OC[C@H]1O[C@H](O)[C@H](N[C@@H]2CCCSC2)[C@@H](O)[C@@H]1O ZINC001257662689 780630425 /nfs/dbraw/zinc/63/04/25/780630425.db2.gz PWYSXMZZXITFTA-SYWHDRQISA-N 0 3 279.358 -1.729 20 0 CAADHN COC(=O)CCS(=O)(=O)CC[C@@H](C)NCC(N)=O ZINC001257912252 780630842 /nfs/dbraw/zinc/63/08/42/780630842.db2.gz DJDZJZGBIRZIEQ-MRVPVSSYSA-N 0 3 280.346 -1.182 20 0 CAADHN NC(=O)CNC(=O)CNC(=O)CN[C@@H]1CCCSC1 ZINC001257667193 780630872 /nfs/dbraw/zinc/63/08/72/780630872.db2.gz FJGPONIUGNCSRA-MRVPVSSYSA-N 0 3 288.373 -1.811 20 0 CAADHN COC(=O)CS(=O)(=O)NCC1CCN(CCO)CC1 ZINC001259029046 780637789 /nfs/dbraw/zinc/63/77/89/780637789.db2.gz BDYUERHUMAPBEL-UHFFFAOYSA-N 0 3 294.373 -1.217 20 0 CAADHN CC(C)(O)[C@H](F)CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001221260400 780409854 /nfs/dbraw/zinc/40/98/54/780409854.db2.gz POPNKVJELABCAT-DTWKUNHWSA-N 0 3 275.324 -1.458 20 0 CAADHN COCCN1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221259671 780410252 /nfs/dbraw/zinc/41/02/52/780410252.db2.gz PELYGPCRQQIUBQ-NXEZZACHSA-N 0 3 270.333 -1.166 20 0 CAADHN C[C@H](O)CN1CC[C@@H]2CN(C(=O)CNC(N)=O)[C@@H]2C1 ZINC001221264697 780410543 /nfs/dbraw/zinc/41/05/43/780410543.db2.gz XYQPKLCKQUZWJE-IVZWLZJFSA-N 0 3 270.333 -1.432 20 0 CAADHN O=C(NCCCCCO)[C@@H]1COC2(CNC2)CN1 ZINC001221281600 780413064 /nfs/dbraw/zinc/41/30/64/780413064.db2.gz VSXVFLDZNKWNDY-JTQLQIEISA-N 0 3 257.334 -1.404 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221268978 780413190 /nfs/dbraw/zinc/41/31/90/780413190.db2.gz GKADCEDKEKAUQZ-VXAXSWHGSA-N 0 3 275.374 -1.133 20 0 CAADHN O=C(N[C@@H]1CCCNC(=O)C1)[C@@H]1COC2(CNC2)CN1 ZINC001221269807 780413259 /nfs/dbraw/zinc/41/32/59/780413259.db2.gz YFODDMQSCTWEOS-ZJUUUORDSA-N 0 3 282.344 -1.898 20 0 CAADHN CC[C@H](C(N)=O)N1CCC(CNC(=O)CNC(N)=O)CC1 ZINC001222346705 780426369 /nfs/dbraw/zinc/42/63/69/780426369.db2.gz YDSRTPMFVUTJMP-SNVBAGLBSA-N 0 3 299.375 -1.253 20 0 CAADHN CN1CC[C@H](N2CCC(CNC(=O)CC(N)=O)CC2)C1=O ZINC001222695510 780427072 /nfs/dbraw/zinc/42/70/72/780427072.db2.gz PZBZPGULXUNFCS-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)CC(=O)NCC1CCN([C@@H]2CCCNC2=O)CC1 ZINC001222691771 780427877 /nfs/dbraw/zinc/42/78/77/780427877.db2.gz RDQGXQLPLUSBGM-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN CC[C@@H](C(N)=O)N1CCC(CNC(=O)CC(N)=O)CC1 ZINC001222695468 780427996 /nfs/dbraw/zinc/42/79/96/780427996.db2.gz NYTCFDCUFRBFCT-JTQLQIEISA-N 0 3 284.360 -1.046 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2CCN(CCOCCO)[C@H]2C1 ZINC001223400851 780430383 /nfs/dbraw/zinc/43/03/83/780430383.db2.gz BFSYGHMAIYDQBV-MNOVXSKESA-N 0 3 285.344 -1.597 20 0 CAADHN COC(=O)CS(=O)(=O)[N-][C@@H]1CC[NH2+]C[C@H]1F ZINC001238054004 780512883 /nfs/dbraw/zinc/51/28/83/780512883.db2.gz OWAOGBDIMDQQBJ-RNFRBKRXSA-N 0 3 254.283 -1.221 20 0 CAADHN NCCS(=O)(=O)N[C@H]1CCN(c2ncccn2)C1 ZINC001238037109 780512966 /nfs/dbraw/zinc/51/29/66/780512966.db2.gz YLLMSEWVKGJBQA-VIFPVBQESA-N 0 3 271.346 -1.067 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)N[C@@H]1CCNC[C@H]1F ZINC001238048694 780512986 /nfs/dbraw/zinc/51/29/86/780512986.db2.gz AXWXNMPBBBRHFP-RNFRBKRXSA-N 0 3 274.339 -1.392 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)N[C@@H]1CCNC[C@@H]1F ZINC001238048693 780513177 /nfs/dbraw/zinc/51/31/77/780513177.db2.gz AXWXNMPBBBRHFP-NKWVEPMBSA-N 0 3 274.339 -1.392 20 0 CAADHN O=C1C[C@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)C2CCOCC2)N1 ZINC001238327624 780516465 /nfs/dbraw/zinc/51/64/65/780516465.db2.gz GQYKJHPVSWRXDZ-KOLCDFICSA-N 0 3 289.357 -1.337 20 0 CAADHN NCCS(=O)(=O)N[C@@H]1CCCN(C2COC2)C1 ZINC001238488962 780518337 /nfs/dbraw/zinc/51/83/37/780518337.db2.gz PWHRTPZKQCKHRR-SECBINFHSA-N 0 3 263.363 -1.272 20 0 CAADHN COC(=O)CC[C@H]([N-]S(=O)(=O)CC[NH3+])C(=O)OC ZINC001238443210 780518683 /nfs/dbraw/zinc/51/86/83/780518683.db2.gz XTYOEOMUKHAHJP-ZETCQYMHSA-N 0 3 282.318 -1.641 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)CC(N)=O)C1CCCC1 ZINC001278226883 780518731 /nfs/dbraw/zinc/51/87/31/780518731.db2.gz VUFWOENZLATAJI-SNVBAGLBSA-N 0 3 284.360 -1.128 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NS(=O)(=O)CCN)CN1 ZINC001238379336 780518769 /nfs/dbraw/zinc/51/87/69/780518769.db2.gz PZVSPMANVDUXCE-RQJHMYQMSA-N 0 3 251.308 -2.232 20 0 CAADHN O=S(=O)(CC1CC[NH2+]CC1)[N-]C1(CO)COC1 ZINC001238468426 780518871 /nfs/dbraw/zinc/51/88/71/780518871.db2.gz HNGONZNMNLJBNQ-UHFFFAOYSA-N 0 3 264.347 -1.333 20 0 CAADHN CCOC(=O)CNC(=O)CNS(=O)(=O)CCN ZINC001238455219 780518883 /nfs/dbraw/zinc/51/88/83/780518883.db2.gz IKRSTXFDKYVKCO-UHFFFAOYSA-N 0 3 267.307 -2.456 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NS(=O)(=O)CCN)CN1 ZINC001238379331 780518994 /nfs/dbraw/zinc/51/89/94/780518994.db2.gz PZVSPMANVDUXCE-BQBZGAKWSA-N 0 3 251.308 -2.232 20 0 CAADHN CS(=O)(=O)N1CC(NS(=O)(=O)CCN)C1 ZINC001238468775 780519108 /nfs/dbraw/zinc/51/91/08/780519108.db2.gz FAYUUIHDPYSWAK-UHFFFAOYSA-N 0 3 257.337 -2.492 20 0 CAADHN NCCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001238457465 780519180 /nfs/dbraw/zinc/51/91/80/780519180.db2.gz WKWGZAWPHHUJPP-JTQLQIEISA-N 0 3 287.341 -1.333 20 0 CAADHN CS(=O)(=O)[C@H]1C[C@@H](NS(=O)(=O)CCN)C1 ZINC001238468747 780519222 /nfs/dbraw/zinc/51/92/22/780519222.db2.gz DJXVBUMIKQFWSX-KNVOCYPGSA-N 0 3 256.349 -1.560 20 0 CAADHN NCCS(=O)(=O)NCC1CCS(=O)(=O)CC1 ZINC001238483704 780519518 /nfs/dbraw/zinc/51/95/18/780519518.db2.gz UJQTWQNIMYBEBV-UHFFFAOYSA-N 0 3 270.376 -1.311 20 0 CAADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)CCN ZINC001238667008 780521961 /nfs/dbraw/zinc/52/19/61/780521961.db2.gz IJRQEHPUCDBDIT-BQBZGAKWSA-N 0 3 281.334 -2.069 20 0 CAADHN COC(=O)CNC(=O)CNS(=O)(=O)CCN ZINC001238659902 780522184 /nfs/dbraw/zinc/52/21/84/780522184.db2.gz ZXWMKOZCCZVYLB-UHFFFAOYSA-N 0 3 253.280 -2.846 20 0 CAADHN C[C@H](NS(=O)(=O)CCN)C(=O)NCC(N)=O ZINC001238838815 780524206 /nfs/dbraw/zinc/52/42/06/780524206.db2.gz MOVSYTFZXFJLQJ-YFKPBYRVSA-N 0 3 252.296 -3.146 20 0 CAADHN CC1(NS(=O)(=O)CCN)CCS(=O)(=O)CC1 ZINC001238851939 780524286 /nfs/dbraw/zinc/52/42/86/780524286.db2.gz HTNLUUPLRXBODP-UHFFFAOYSA-N 0 3 270.376 -1.168 20 0 CAADHN Cn1ccnc1S(=O)(=O)NCCCC[C@H](N)C(N)=O ZINC001238840021 780524311 /nfs/dbraw/zinc/52/43/11/780524311.db2.gz YVOOEZANJRXHTA-QMMMGPOBSA-N 0 3 289.361 -1.319 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)NC[C@@H]1CCNC[C@@H]1F ZINC001238892515 780524360 /nfs/dbraw/zinc/52/43/60/780524360.db2.gz VWOLNJIWPSVMCW-YUMQZZPRSA-N 0 3 288.366 -1.145 20 0 CAADHN CC(C)C[C@H](NS(=O)(=O)CCN)C(=O)NCC(N)=O ZINC001238876502 780524382 /nfs/dbraw/zinc/52/43/82/780524382.db2.gz LRQJUDBCQOYDJN-QMMMGPOBSA-N 0 3 294.377 -2.119 20 0 CAADHN COC(=O)CS(=O)(=O)[N-][C@@H]1C[NH2+]CC[C@H]1F ZINC001238898961 780524521 /nfs/dbraw/zinc/52/45/21/780524521.db2.gz VNNZZGIJIHJAJP-RNFRBKRXSA-N 0 3 254.283 -1.221 20 0 CAADHN CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)CCN)C(N)=O ZINC001238895978 780524704 /nfs/dbraw/zinc/52/47/04/780524704.db2.gz QRQADUIIRIGWDY-YUMQZZPRSA-N 0 3 294.377 -2.121 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)[N-][C@@H]1C[NH2+]CC[C@H]1F ZINC001238899447 780524823 /nfs/dbraw/zinc/52/48/23/780524823.db2.gz XNGRBSBMEPUBHL-RNFRBKRXSA-N 0 3 274.339 -1.392 20 0 CAADHN NCCS(=O)(=O)NC1CN(c2ccncn2)C1 ZINC001238841359 780525183 /nfs/dbraw/zinc/52/51/83/780525183.db2.gz YFYXHNSDEQSPMQ-UHFFFAOYSA-N 0 3 257.319 -1.457 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NS(=O)(=O)CCN)CCN1 ZINC001238888097 780525273 /nfs/dbraw/zinc/52/52/73/780525273.db2.gz UEEVLHSNQJDTPU-YUMQZZPRSA-N 0 3 265.335 -1.842 20 0 CAADHN COC(=O)[C@@H]1COCC[C@@H]1NS(=O)(=O)CCN ZINC001238869219 780525321 /nfs/dbraw/zinc/52/53/21/780525321.db2.gz DDFWOMVMRBDUBX-SFYZADRCSA-N 0 3 266.319 -1.557 20 0 CAADHN CCOC(=O)CN1CCN(S(=O)(=O)CCN)CC1 ZINC001238921279 780525652 /nfs/dbraw/zinc/52/56/52/780525652.db2.gz JRTQKJKFACRSSF-UHFFFAOYSA-N 0 3 279.362 -1.544 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)N1C[C@@H](N)[C@H](O)C1 ZINC001238938717 780525924 /nfs/dbraw/zinc/52/59/24/780525924.db2.gz PHZWFUPVHMMOHC-PHDIDXHHSA-N 0 3 258.321 -2.678 20 0 CAADHN CNS(=O)(=O)CCNC[C@@H](O)COC1CCOCC1 ZINC001261437246 780663759 /nfs/dbraw/zinc/66/37/59/780663759.db2.gz YCRYOVHNUKSTRE-SNVBAGLBSA-N 0 3 296.389 -1.318 20 0 CAADHN COCCNC(=O)Cn1cc(NC(=O)[C@@H](C)N)cn1 ZINC001261459139 780663942 /nfs/dbraw/zinc/66/39/42/780663942.db2.gz ZJKWBAFHBNRLMC-MRVPVSSYSA-N 0 3 269.305 -1.069 20 0 CAADHN COCCNCC(=O)NC[C@]12COC(=O)N1CCOC2 ZINC001261892738 780692516 /nfs/dbraw/zinc/69/25/16/780692516.db2.gz VZCCTAWUBJXPMV-LBPRGKRZSA-N 0 3 287.316 -1.440 20 0 CAADHN Cc1nn(CC(=O)NCCCN2CCN(C)CC2)c(=O)o1 ZINC001262153514 780700800 /nfs/dbraw/zinc/70/08/00/780700800.db2.gz FRZIPBXARQOWKD-UHFFFAOYSA-N 0 3 297.359 -1.102 20 0 CAADHN CS(=O)(=O)CCCNC(=O)N1CCNCCNCC1 ZINC001262571697 780716263 /nfs/dbraw/zinc/71/62/63/780716263.db2.gz AUGQCHBFKQLPSN-UHFFFAOYSA-N 0 3 292.405 -1.375 20 0 CAADHN O=C(C[C@@H]1CNCCO1)N1CCN2CCOC[C@@H]2C1 ZINC001263185971 780723568 /nfs/dbraw/zinc/72/35/68/780723568.db2.gz NURDVPUNDCNSGT-NWDGAFQWSA-N 0 3 269.345 -1.092 20 0 CAADHN COC(=O)[C@H](O)CNC[C@@H]1CCS(=O)(=O)C1 ZINC000381051543 780728181 /nfs/dbraw/zinc/72/81/81/780728181.db2.gz IALXAKHQQYCWOF-JGVFFNPUSA-N 0 3 251.304 -1.455 20 0 CAADHN NC(=O)C1(C(=O)N2CCC[C@H](N(CCO)CCO)C2)CC1 ZINC001264634221 780738561 /nfs/dbraw/zinc/73/85/61/780738561.db2.gz LEOAGEYKIMMJQT-NSHDSACASA-N 0 3 299.371 -1.471 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)c1n[nH]nc1C ZINC001279783619 780776295 /nfs/dbraw/zinc/77/62/95/780776295.db2.gz WWZQFCKMJALLFL-UHFFFAOYSA-N 0 3 298.347 -1.727 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001279800328 780776650 /nfs/dbraw/zinc/77/66/50/780776650.db2.gz BJBDLUGICHLYAK-PJXYFTJBSA-N 0 3 299.371 -1.575 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1cnon1 ZINC001279857626 780777930 /nfs/dbraw/zinc/77/79/30/780777930.db2.gz FGIHMQVYDJFRKY-UHFFFAOYSA-N 0 3 257.250 -2.421 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001279838316 780778159 /nfs/dbraw/zinc/77/81/59/780778159.db2.gz LHSLVZXGUOHRFA-MXWKQRLJSA-N 0 3 285.344 -1.550 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cnon1 ZINC001279858297 780778221 /nfs/dbraw/zinc/77/82/21/780778221.db2.gz OZRFZKFNLWHMAJ-UHFFFAOYSA-N 0 3 271.277 -2.160 20 0 CAADHN CNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001282467232 780817650 /nfs/dbraw/zinc/81/76/50/780817650.db2.gz GSDPKUAKZUWHIN-SFYZADRCSA-N 0 3 268.321 -1.011 20 0 CAADHN CNC(=O)[C@H](C)N(C)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001282467232 780817656 /nfs/dbraw/zinc/81/76/56/780817656.db2.gz GSDPKUAKZUWHIN-SFYZADRCSA-N 0 3 268.321 -1.011 20 0 CAADHN CNC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)c1ncn[nH]1 ZINC001282467231 780818330 /nfs/dbraw/zinc/81/83/30/780818330.db2.gz GSDPKUAKZUWHIN-JGVFFNPUSA-N 0 3 268.321 -1.011 20 0 CAADHN CNC(=O)[C@@H](C)N(C)[C@@H](C)CNC(=O)c1nc[nH]n1 ZINC001282467231 780818332 /nfs/dbraw/zinc/81/83/32/780818332.db2.gz GSDPKUAKZUWHIN-JGVFFNPUSA-N 0 3 268.321 -1.011 20 0 CAADHN C[C@H](CNC(=O)c1nnc[nH]1)N(C)[C@H]1CCNC1=O ZINC001282470428 780820300 /nfs/dbraw/zinc/82/03/00/780820300.db2.gz YHPPNMYCCZPGFW-SFYZADRCSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@H](CNC(=O)c1ncn[nH]1)N(C)[C@H]1CCNC1=O ZINC001282470428 780820308 /nfs/dbraw/zinc/82/03/08/780820308.db2.gz YHPPNMYCCZPGFW-SFYZADRCSA-N 0 3 266.305 -1.257 20 0 CAADHN C[C@H](CNC(=O)c1nc[nH]n1)N(C)[C@H]1CCNC1=O ZINC001282470428 780820320 /nfs/dbraw/zinc/82/03/20/780820320.db2.gz YHPPNMYCCZPGFW-SFYZADRCSA-N 0 3 266.305 -1.257 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001190718040 781884716 /nfs/dbraw/zinc/88/47/16/781884716.db2.gz SOQHITICPVWAGL-YNEHKIRRSA-N 0 3 299.371 -1.290 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001190718039 781885251 /nfs/dbraw/zinc/88/52/51/781885251.db2.gz SOQHITICPVWAGL-JHJVBQTASA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1NCC(N)=O ZINC001054375027 782594611 /nfs/dbraw/zinc/59/46/11/782594611.db2.gz ULBXNOIUQVSWMN-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1NCC(N)=O ZINC001054442046 782594653 /nfs/dbraw/zinc/59/46/53/782594653.db2.gz WMBIEHKAOLHHTA-IONNQARKSA-N 0 3 251.290 -1.055 20 0 CAADHN C[C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1NCC(N)=O ZINC001054384784 782594682 /nfs/dbraw/zinc/59/46/82/782594682.db2.gz CMUQZNXHUYOWAY-UWVGGRQHSA-N 0 3 265.317 -1.195 20 0 CAADHN C[C@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1NCC(N)=O ZINC001054358229 782594782 /nfs/dbraw/zinc/59/47/82/782594782.db2.gz BKWGFMPRCFDRTN-GXSJLCMTSA-N 0 3 278.312 -1.145 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H]1NCC(N)=O ZINC001054463044 782594978 /nfs/dbraw/zinc/59/49/78/782594978.db2.gz LJFIZLHDSPULLY-MWLCHTKSSA-N 0 3 279.344 -1.116 20 0 CAADHN C[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@@H]1NCC(N)=O ZINC001054461401 782595276 /nfs/dbraw/zinc/59/52/76/782595276.db2.gz OSKSFUUJFPFZND-SFYZADRCSA-N 0 3 277.346 -2.047 20 0 CAADHN CCC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001054309150 782595426 /nfs/dbraw/zinc/59/54/26/782595426.db2.gz UDFFNNYFUDJWBK-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H]1CN(C(=O)CCn2cncn2)C[C@H]1NCC(N)=O ZINC001054394720 782595506 /nfs/dbraw/zinc/59/55/06/782595506.db2.gz PURLUJQGDFTVRA-NXEZZACHSA-N 0 3 280.332 -1.410 20 0 CAADHN C[C@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1NCC(N)=O ZINC001054372219 782595539 /nfs/dbraw/zinc/59/55/39/782595539.db2.gz RJLNPPABHJXQBZ-WCBMZHEXSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1NCC(=O)N1CCC1 ZINC001054486622 782595640 /nfs/dbraw/zinc/59/56/40/782595640.db2.gz ASJOPVZRDBEFPP-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1NCC(N)=O ZINC001054480764 782595720 /nfs/dbraw/zinc/59/57/20/782595720.db2.gz OFZYPSOOQKHRTD-IUCAKERBSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc[n+]([O-])cc2)C[C@H]1NCC(N)=O ZINC001054358231 782595786 /nfs/dbraw/zinc/59/57/86/782595786.db2.gz BKWGFMPRCFDRTN-MWLCHTKSSA-N 0 3 278.312 -1.145 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1NCC(N)=O ZINC001054372217 782595999 /nfs/dbraw/zinc/59/59/99/782595999.db2.gz RJLNPPABHJXQBZ-PSASIEDQSA-N 0 3 265.317 -1.045 20 0 CAADHN Cc1c(C(=O)N2C[C@H](NCC(N)=O)[C@@H](C)C2)nnn1C ZINC001054523251 782597942 /nfs/dbraw/zinc/59/79/42/782597942.db2.gz JMSCGPZNERDFOS-CBAPKCEASA-N 0 3 280.332 -1.341 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1NCC(N)=O ZINC001054361880 782596054 /nfs/dbraw/zinc/59/60/54/782596054.db2.gz WFZYPMCGXHTDLD-VXNVDRBHSA-N 0 3 279.300 -1.282 20 0 CAADHN C[C@H]1CN(C(=O)CCn2cncn2)C[C@H]1NCC(N)=O ZINC001054394722 782596278 /nfs/dbraw/zinc/59/62/78/782596278.db2.gz PURLUJQGDFTVRA-VHSXEESVSA-N 0 3 280.332 -1.410 20 0 CAADHN Cc1c(C(=O)N2C[C@H](C)[C@H](NCC(N)=O)C2)nnn1C ZINC001054523254 782596675 /nfs/dbraw/zinc/59/66/75/782596675.db2.gz JMSCGPZNERDFOS-IONNQARKSA-N 0 3 280.332 -1.341 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1NCC(N)=O ZINC001054515445 782596807 /nfs/dbraw/zinc/59/68/07/782596807.db2.gz MIBFYMSHPZADPM-PSASIEDQSA-N 0 3 265.317 -1.126 20 0 CAADHN Cc1nc(CN[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)n[nH]1 ZINC001054506768 782597281 /nfs/dbraw/zinc/59/72/81/782597281.db2.gz MZNUSXWCXNINIF-VXNVDRBHSA-N 0 3 280.332 -1.075 20 0 CAADHN C[C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1NCC(N)=O ZINC001054554043 782597496 /nfs/dbraw/zinc/59/74/96/782597496.db2.gz APDBVSYGELOIHZ-IUCAKERBSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001054499640 782597635 /nfs/dbraw/zinc/59/76/35/782597635.db2.gz QVZJIHZPJSAIJM-WDEREUQCSA-N 0 3 296.371 -1.079 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@@H](NCC(N)=O)C2)C1 ZINC001054600715 782597814 /nfs/dbraw/zinc/59/78/14/782597814.db2.gz KWSYJBULZLXMTK-KCJUWKMLSA-N 0 3 282.344 -1.614 20 0 CAADHN CC(=O)N1C[C@H](NCC(=O)N2CCNC(=O)C2)[C@@H](C)C1 ZINC001054300390 782592380 /nfs/dbraw/zinc/59/23/80/782592380.db2.gz CUOOJNIPIQBZFT-ONGXEEELSA-N 0 3 282.344 -1.599 20 0 CAADHN CC(=O)N1C[C@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001054300387 782593568 /nfs/dbraw/zinc/59/35/68/782593568.db2.gz CUOOJNIPIQBZFT-GXSJLCMTSA-N 0 3 282.344 -1.599 20 0 CAADHN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)C1 ZINC001054600724 782597863 /nfs/dbraw/zinc/59/78/63/782597863.db2.gz KWSYJBULZLXMTK-LDYMZIIASA-N 0 3 282.344 -1.614 20 0 CAADHN CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N2CCNC(=O)C2)C1 ZINC001054300389 782594055 /nfs/dbraw/zinc/59/40/55/782594055.db2.gz CUOOJNIPIQBZFT-MWLCHTKSSA-N 0 3 282.344 -1.599 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnn(C)c2N)C[C@@H]1NCC(N)=O ZINC001054593288 782598350 /nfs/dbraw/zinc/59/83/50/782598350.db2.gz FJOMJEDXYPDZKE-APPZFPTMSA-N 0 3 280.332 -1.462 20 0 CAADHN Cc1nc(CN[C@@H]2CN(C(=O)CC(N)=O)C[C@@H]2C)n[nH]1 ZINC001054506767 782598364 /nfs/dbraw/zinc/59/83/64/782598364.db2.gz MZNUSXWCXNINIF-IONNQARKSA-N 0 3 280.332 -1.075 20 0 CAADHN C[C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1NCC(N)=O ZINC001054633417 782598836 /nfs/dbraw/zinc/59/88/36/782598836.db2.gz JSYCNZDURDSPIH-JGVFFNPUSA-N 0 3 266.305 -1.650 20 0 CAADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1NCC(N)=O ZINC001055018886 782604231 /nfs/dbraw/zinc/60/42/31/782604231.db2.gz WEANVCFSEMGEPC-IONNQARKSA-N 0 3 279.300 -1.695 20 0 CAADHN C[C@@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1NCC(N)=O ZINC001054624772 782599204 /nfs/dbraw/zinc/59/92/04/782599204.db2.gz VUFISBLHTQHJTP-SFYZADRCSA-N 0 3 282.300 -1.486 20 0 CAADHN C[C@H]1CN(C(=O)Cn2ncnn2)C[C@@H]1NCC(N)=O ZINC001054649057 782599293 /nfs/dbraw/zinc/59/92/93/782599293.db2.gz LSYJCMCDKGAUPF-YUMQZZPRSA-N 0 3 267.293 -2.405 20 0 CAADHN C[C@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1NCC(N)=O ZINC001054604814 782599364 /nfs/dbraw/zinc/59/93/64/782599364.db2.gz PXNRRTYWBRDOIN-JGVFFNPUSA-N 0 3 282.304 -2.095 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@@H](C)[C@@H](NCC(N)=O)C2)[nH]1 ZINC001054632071 782599568 /nfs/dbraw/zinc/59/95/68/782599568.db2.gz BSFWUQFGXWAEKI-APPZFPTMSA-N 0 3 280.332 -1.423 20 0 CAADHN C[C@H]1CN(C(=O)c2cc(=O)n(C)o2)C[C@@H]1NCC(N)=O ZINC001054624774 782599631 /nfs/dbraw/zinc/59/96/31/782599631.db2.gz VUFISBLHTQHJTP-YUMQZZPRSA-N 0 3 282.300 -1.486 20 0 CAADHN C[C@H]1CN(C(=O)Cc2cncnc2)C[C@H]1NCC(N)=O ZINC001054619273 782599644 /nfs/dbraw/zinc/59/96/44/782599644.db2.gz DKTBJYAAVNSYIQ-GXSJLCMTSA-N 0 3 277.328 -1.059 20 0 CAADHN CCn1ncc(C(=O)N2C[C@H](C)[C@H](NCC(N)=O)C2)n1 ZINC001054629760 782599680 /nfs/dbraw/zinc/59/96/80/782599680.db2.gz RGHNVOYSUGUMDC-WCBMZHEXSA-N 0 3 280.332 -1.167 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2ccnn2C)C[C@@H]1NCC(N)=O ZINC001054609946 782599735 /nfs/dbraw/zinc/59/97/35/782599735.db2.gz WBCDVKCQOCQSCQ-KOLCDFICSA-N 0 3 279.344 -1.116 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1NCC(N)=O ZINC001054649053 782599996 /nfs/dbraw/zinc/59/99/96/782599996.db2.gz LSYJCMCDKGAUPF-HTQZYQBOSA-N 0 3 267.293 -2.405 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2cncnc2)C[C@H]1NCC(N)=O ZINC001054619276 782600008 /nfs/dbraw/zinc/60/00/08/782600008.db2.gz DKTBJYAAVNSYIQ-MWLCHTKSSA-N 0 3 277.328 -1.059 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@@H]1NCC(N)=O ZINC001054604818 782600021 /nfs/dbraw/zinc/60/00/21/782600021.db2.gz PXNRRTYWBRDOIN-SFYZADRCSA-N 0 3 282.304 -2.095 20 0 CAADHN Cc1nnc(CC(=O)N2C[C@H](NCC(N)=O)[C@@H](C)C2)o1 ZINC001054634164 782600032 /nfs/dbraw/zinc/60/00/32/782600032.db2.gz LVQSPOGYKGBTDG-CBAPKCEASA-N 0 3 281.316 -1.158 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@@H]1NCC(N)=O ZINC001054616168 782600080 /nfs/dbraw/zinc/60/00/80/782600080.db2.gz RTXYZHJTUQQDLM-SFYZADRCSA-N 0 3 266.305 -1.650 20 0 CAADHN CCn1ncc(C(=O)N2C[C@@H](C)[C@@H](NCC(N)=O)C2)n1 ZINC001054629759 782600147 /nfs/dbraw/zinc/60/01/47/782600147.db2.gz RGHNVOYSUGUMDC-SCZZXKLOSA-N 0 3 280.332 -1.167 20 0 CAADHN C[C@@H]1CN(C(=O)Cc2ccn(C)n2)C[C@@H]1NCC(N)=O ZINC001054640622 782600181 /nfs/dbraw/zinc/60/01/81/782600181.db2.gz BEQTWCVLBLKOMU-KOLCDFICSA-N 0 3 279.344 -1.116 20 0 CAADHN C[C@H]1CN(C(=O)c2cc3n(n2)CCO3)C[C@@H]1NCC(N)=O ZINC001054736536 782601111 /nfs/dbraw/zinc/60/11/11/782601111.db2.gz KHWPZQUUTAKSIX-WPRPVWTQSA-N 0 3 293.327 -1.189 20 0 CAADHN C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NCC(N)=O ZINC001054680442 782601148 /nfs/dbraw/zinc/60/11/48/782601148.db2.gz MOWXDRNPNFRRPX-IONNQARKSA-N 0 3 289.357 -2.047 20 0 CAADHN C[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1NCC(N)=O ZINC001054759904 782601334 /nfs/dbraw/zinc/60/13/34/782601334.db2.gz GSFJHDUJNHHQQZ-HTQZYQBOSA-N 0 3 270.333 -1.580 20 0 CAADHN C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@H]1NCC(N)=O ZINC001054781526 782601470 /nfs/dbraw/zinc/60/14/70/782601470.db2.gz ZHAMINMIQAPZCI-IONNQARKSA-N 0 3 279.300 -1.282 20 0 CAADHN C[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@@H]1NCC(N)=O ZINC001054812202 782601524 /nfs/dbraw/zinc/60/15/24/782601524.db2.gz HSMPSBSQXVGNOJ-ONGXEEELSA-N 0 3 292.339 -1.079 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)C[C@@H]1NCC(N)=O ZINC001054781519 782601821 /nfs/dbraw/zinc/60/18/21/782601821.db2.gz ZHAMINMIQAPZCI-APPZFPTMSA-N 0 3 279.300 -1.282 20 0 CAADHN C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1NCC(N)=O ZINC001054680439 782601918 /nfs/dbraw/zinc/60/19/18/782601918.db2.gz MOWXDRNPNFRRPX-APPZFPTMSA-N 0 3 289.357 -2.047 20 0 CAADHN COc1cc(C(=O)N2C[C@H](C)[C@H](NCC(N)=O)C2)nn1C ZINC001054889489 782602439 /nfs/dbraw/zinc/60/24/39/782602439.db2.gz ZHAKGLNKRKLDLZ-WCBMZHEXSA-N 0 3 295.343 -1.036 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@@H]1NCC(N)=O ZINC001054854059 782602455 /nfs/dbraw/zinc/60/24/55/782602455.db2.gz NXQXNPPKQZFTTP-ZJUUUORDSA-N 0 3 297.359 -1.677 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1NCC(N)=O ZINC001054854056 782602582 /nfs/dbraw/zinc/60/25/82/782602582.db2.gz NXQXNPPKQZFTTP-NXEZZACHSA-N 0 3 297.359 -1.677 20 0 CAADHN C[C@@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1NCC(N)=O ZINC001054848399 782602657 /nfs/dbraw/zinc/60/26/57/782602657.db2.gz XALYWLGTGSWQJI-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CN(C(=O)c2cncn2C)C[C@H]1NCC(N)=O ZINC001054870122 782602771 /nfs/dbraw/zinc/60/27/71/782602771.db2.gz POPJLBKMPXOSGB-DTWKUNHWSA-N 0 3 265.317 -1.045 20 0 CAADHN C[C@H]1CN(C(=O)c2cn(C)c(=O)cn2)C[C@H]1NCC(N)=O ZINC001054923147 782602816 /nfs/dbraw/zinc/60/28/16/782602816.db2.gz SBEWGTBZHUDDFH-DTWKUNHWSA-N 0 3 293.327 -1.684 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccc(=O)n(C)c2)C[C@@H]1NCC(N)=O ZINC001054848327 782602896 /nfs/dbraw/zinc/60/28/96/782602896.db2.gz VWUYUZIBPARRFH-KOLCDFICSA-N 0 3 292.339 -1.079 20 0 CAADHN COc1cc(C(=O)N2C[C@@H](C)[C@@H](NCC(N)=O)C2)nn1C ZINC001054889488 782603138 /nfs/dbraw/zinc/60/31/38/782603138.db2.gz ZHAKGLNKRKLDLZ-SCZZXKLOSA-N 0 3 295.343 -1.036 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccc(C(N)=O)o2)C[C@H]1NCC(N)=O ZINC001054881945 782603211 /nfs/dbraw/zinc/60/32/11/782603211.db2.gz BYEZHIFZMYKCBQ-HTQZYQBOSA-N 0 3 294.311 -1.086 20 0 CAADHN CCn1cc(CC(=O)N2C[C@H](C)[C@H](NCC(N)=O)C2)nn1 ZINC001054926053 782603553 /nfs/dbraw/zinc/60/35/53/782603553.db2.gz ZHMWTASZEDUBNT-GXSJLCMTSA-N 0 3 294.359 -1.238 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCCCC2=O)C[C@@H]1NCC(N)=O ZINC001054848400 782603597 /nfs/dbraw/zinc/60/35/97/782603597.db2.gz XALYWLGTGSWQJI-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN CCn1cc(CC(=O)N2C[C@H](NCC(N)=O)[C@@H](C)C2)nn1 ZINC001054926056 782603685 /nfs/dbraw/zinc/60/36/85/782603685.db2.gz ZHMWTASZEDUBNT-ONGXEEELSA-N 0 3 294.359 -1.238 20 0 CAADHN C[C@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1NCC(N)=O ZINC001054973971 782604451 /nfs/dbraw/zinc/60/44/51/782604451.db2.gz MNSDIYXNGMWEHD-YUMQZZPRSA-N 0 3 281.316 -1.339 20 0 CAADHN C[C@@H]1CN(C(=O)c2c[nH]c(=O)n2C)C[C@@H]1NCC(N)=O ZINC001054973970 782604464 /nfs/dbraw/zinc/60/44/64/782604464.db2.gz MNSDIYXNGMWEHD-SFYZADRCSA-N 0 3 281.316 -1.339 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)N1CCCC1 ZINC001055020051 782604981 /nfs/dbraw/zinc/60/49/81/782604981.db2.gz ITWLKAKOLXLALT-UWVGGRQHSA-N 0 3 282.344 -1.469 20 0 CAADHN COc1nn(C)cc1C(=O)N1C[C@@H](C)[C@@H](NCC(N)=O)C1 ZINC001054968190 782605028 /nfs/dbraw/zinc/60/50/28/782605028.db2.gz DGJJTILSCDWENZ-SCZZXKLOSA-N 0 3 295.343 -1.036 20 0 CAADHN C[C@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1NCC(N)=O ZINC001054990078 782605067 /nfs/dbraw/zinc/60/50/67/782605067.db2.gz WAVWNBZOEXPPAI-DSPMHBFJSA-N 0 3 267.329 -1.199 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001055020050 782605383 /nfs/dbraw/zinc/60/53/83/782605383.db2.gz ITWLKAKOLXLALT-NXEZZACHSA-N 0 3 282.344 -1.469 20 0 CAADHN C[C@H]1CN(C(=O)CN2CCNC(=O)C2)C[C@@H]1NCCF ZINC001054969017 782605410 /nfs/dbraw/zinc/60/54/10/782605410.db2.gz NXXFGNUBVLXXGF-QWRGUYRKSA-N 0 3 286.351 -1.176 20 0 CAADHN C[C@H]1CN(C(=O)c2coc(C(N)=O)c2)C[C@H]1NCC(N)=O ZINC001054929956 782605490 /nfs/dbraw/zinc/60/54/90/782605490.db2.gz IUFPBHNMVKDATG-IONNQARKSA-N 0 3 294.311 -1.086 20 0 CAADHN COc1nn(C)cc1C(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001054968191 782605505 /nfs/dbraw/zinc/60/55/05/782605505.db2.gz DGJJTILSCDWENZ-WCBMZHEXSA-N 0 3 295.343 -1.036 20 0 CAADHN C[C@@H]1CN(C(=O)COc2cnn(C)c2)C[C@@H]1NCC(N)=O ZINC001055011952 782605594 /nfs/dbraw/zinc/60/55/94/782605594.db2.gz HINQLNBROAYCRF-KOLCDFICSA-N 0 3 295.343 -1.279 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1NCC(=O)N1CCCCC1 ZINC001055020727 782606256 /nfs/dbraw/zinc/60/62/56/782606256.db2.gz SUGBLTYWAXKXTI-MNOVXSKESA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N1CCCC1 ZINC001055020052 782606443 /nfs/dbraw/zinc/60/64/43/782606443.db2.gz ITWLKAKOLXLALT-VHSXEESVSA-N 0 3 282.344 -1.469 20 0 CAADHN COCC(=O)N(CCO)CCNC(=O)Cc1nc[nH]c1C ZINC001056787520 782637081 /nfs/dbraw/zinc/63/70/81/782637081.db2.gz IJVBEVZLDRRQBH-UHFFFAOYSA-N 0 3 298.343 -1.156 20 0 CAADHN CN1CC[C@H](N2C[C@@H]3CCCN(C(=O)C(N)=O)[C@@H]3C2)C1=O ZINC001050129772 782657433 /nfs/dbraw/zinc/65/74/33/782657433.db2.gz XYTVUSNRNSLKDP-GARJFASQSA-N 0 3 294.355 -1.375 20 0 CAADHN C[C@H](O)CN1C[C@@H]2CCCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001050131640 782658508 /nfs/dbraw/zinc/65/85/08/782658508.db2.gz STUIBLFTBYDVBE-LPEHRKFASA-N 0 3 255.318 -1.225 20 0 CAADHN C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)NCC(N)=O ZINC001265761152 782658783 /nfs/dbraw/zinc/65/87/83/782658783.db2.gz OLUJAKAAQFYOKJ-IUCAKERBSA-N 0 3 258.322 -2.103 20 0 CAADHN NC(=O)C(=O)N1CCC[C@H]2CN(CCCO)C[C@H]21 ZINC001050129517 782658865 /nfs/dbraw/zinc/65/88/65/782658865.db2.gz PGTSAHJJVFQTEB-VHSXEESVSA-N 0 3 255.318 -1.223 20 0 CAADHN Cn1nnnc1CNC[C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001050360815 782661874 /nfs/dbraw/zinc/66/18/74/782661874.db2.gz ZKCMLTZEYNNFMN-KYZUINATSA-N 0 3 295.347 -1.540 20 0 CAADHN CNC(=O)[C@H](C)N1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050644059 782668291 /nfs/dbraw/zinc/66/82/91/782668291.db2.gz DUDWZXLIZZZHSH-VIFPVBQESA-N 0 3 282.344 -1.469 20 0 CAADHN CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050644058 782668339 /nfs/dbraw/zinc/66/83/39/782668339.db2.gz DUDWZXLIZZZHSH-SECBINFHSA-N 0 3 282.344 -1.469 20 0 CAADHN CC[C@H](C(N)=O)N1CCC2(CN(C(=O)C(N)=O)C2)CC1 ZINC001050644602 782668499 /nfs/dbraw/zinc/66/84/99/782668499.db2.gz MYRJABKENJJAAC-SECBINFHSA-N 0 3 282.344 -1.340 20 0 CAADHN CN1CC[C@@H](N2CCC3(CN(C(=O)C(N)=O)C3)CC2)C1=O ZINC001050644042 782668692 /nfs/dbraw/zinc/66/86/92/782668692.db2.gz CYXLDJWDUGVNOJ-SNVBAGLBSA-N 0 3 294.355 -1.373 20 0 CAADHN NC(=O)C(=O)N1CC2(C1)CCN([C@H]1CCCNC1=O)CC2 ZINC001050642168 782668723 /nfs/dbraw/zinc/66/87/23/782668723.db2.gz AJMVHADENHSXPM-JTQLQIEISA-N 0 3 294.355 -1.325 20 0 CAADHN NC(=O)C[NH+]1CCC2(CN(C(=O)Cc3nnc[n-]3)C2)CC1 ZINC001050724392 782670425 /nfs/dbraw/zinc/67/04/25/782670425.db2.gz JXNLOEYQOUDDOT-UHFFFAOYSA-N 0 3 292.343 -1.243 20 0 CAADHN CCN(CC)CC(=O)N(CCO)CCNC(=O)COC ZINC001057657770 782679441 /nfs/dbraw/zinc/67/94/41/782679441.db2.gz NPTCAIOEPBRWTO-UHFFFAOYSA-N 0 3 289.376 -1.088 20 0 CAADHN COCC(=O)N1CCO[C@H](CN[C@@H]2CCN(C)C2=O)C1 ZINC001051374417 782694190 /nfs/dbraw/zinc/69/41/90/782694190.db2.gz JITDGKXZHSUECG-GHMZBOCLSA-N 0 3 285.344 -1.320 20 0 CAADHN COCC(=O)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051374837 782694495 /nfs/dbraw/zinc/69/44/95/782694495.db2.gz FGRPPSRYDKDJSV-NXEZZACHSA-N 0 3 271.317 -1.662 20 0 CAADHN COCC(=O)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051374840 782694598 /nfs/dbraw/zinc/69/45/98/782694598.db2.gz FGRPPSRYDKDJSV-ZJUUUORDSA-N 0 3 271.317 -1.662 20 0 CAADHN CC(=O)N1CCO[C@H](CN[C@H]2CCC(=O)NC2=O)C1 ZINC001051384843 782695923 /nfs/dbraw/zinc/69/59/23/782695923.db2.gz VKTNEAMCOHCKTH-ZJUUUORDSA-N 0 3 269.301 -1.372 20 0 CAADHN O=C(c1cc[nH]n1)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051455843 782696050 /nfs/dbraw/zinc/69/60/50/782696050.db2.gz QSDYYDXKOJXIPN-VHSXEESVSA-N 0 3 293.327 -1.271 20 0 CAADHN O=C(C(F)F)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051380659 782696091 /nfs/dbraw/zinc/69/60/91/782696091.db2.gz MBXBEYYQVNBGDZ-HTQZYQBOSA-N 0 3 277.271 -1.043 20 0 CAADHN O=C(c1cc[nH]n1)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051455844 782696161 /nfs/dbraw/zinc/69/61/61/782696161.db2.gz QSDYYDXKOJXIPN-ZJUUUORDSA-N 0 3 293.327 -1.271 20 0 CAADHN O=C(c1ccon1)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051461234 782696219 /nfs/dbraw/zinc/69/62/19/782696219.db2.gz NTNKDJKAHPUBFW-ZJUUUORDSA-N 0 3 294.311 -1.006 20 0 CAADHN O=C(c1cn[nH]c1)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051462686 782697175 /nfs/dbraw/zinc/69/71/75/782697175.db2.gz JNLVUVIKKPQDKF-GHMZBOCLSA-N 0 3 293.327 -1.271 20 0 CAADHN COCC(=O)N1CCO[C@@H](CN[C@H]2CCC(=O)NC2=O)C1 ZINC001051375510 782693956 /nfs/dbraw/zinc/69/39/56/782693956.db2.gz HLFNOTBGPVPVLE-UWVGGRQHSA-N 0 3 299.327 -1.745 20 0 CAADHN COCC(=O)N1CCO[C@@H](CN[C@H]2CCCNC2=O)C1 ZINC001051374579 782694001 /nfs/dbraw/zinc/69/40/01/782694001.db2.gz AVFDVZIWEKKVRG-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN Cn1cc(CNC[C@@H]2CN(C(=O)CC(N)=O)CCO2)cn1 ZINC001051502172 782698305 /nfs/dbraw/zinc/69/83/05/782698305.db2.gz OJCPLULCFLOJDK-LLVKDONJSA-N 0 3 295.343 -1.388 20 0 CAADHN CN1CC[C@@H](NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)C1=O ZINC001051506165 782698773 /nfs/dbraw/zinc/69/87/73/782698773.db2.gz YBMRYANCYYKWKY-NXEZZACHSA-N 0 3 298.343 -2.091 20 0 CAADHN O=C(c1cocn1)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051490447 782699149 /nfs/dbraw/zinc/69/91/49/782699149.db2.gz ZALYYHCQQUWRCG-VHSXEESVSA-N 0 3 294.311 -1.006 20 0 CAADHN O=C(c1cn[nH]n1)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001051696852 782700197 /nfs/dbraw/zinc/70/01/97/782700197.db2.gz AHLLQIMKEIAAAK-BDAKNGLRSA-N 0 3 294.315 -1.876 20 0 CAADHN CN1CC[C@H](NC[C@@H]2CN(C(=O)CC(N)=O)CCO2)C1=O ZINC001051506168 782700287 /nfs/dbraw/zinc/70/02/87/782700287.db2.gz YBMRYANCYYKWKY-ZJUUUORDSA-N 0 3 298.343 -2.091 20 0 CAADHN O=C(c1cn[nH]n1)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051696853 782700529 /nfs/dbraw/zinc/70/05/29/782700529.db2.gz AHLLQIMKEIAAAK-DTWKUNHWSA-N 0 3 294.315 -1.876 20 0 CAADHN O=C(c1cn[nH]n1)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051696855 782700739 /nfs/dbraw/zinc/70/07/39/782700739.db2.gz AHLLQIMKEIAAAK-RKDXNWHRSA-N 0 3 294.315 -1.876 20 0 CAADHN CC(C)(O)CC(=O)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051582025 782701253 /nfs/dbraw/zinc/70/12/53/782701253.db2.gz UOZNCZTXRMWRAT-GHMZBOCLSA-N 0 3 299.371 -1.147 20 0 CAADHN CC(C)(O)CC(=O)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001051582027 782701266 /nfs/dbraw/zinc/70/12/66/782701266.db2.gz UOZNCZTXRMWRAT-QWRGUYRKSA-N 0 3 299.371 -1.147 20 0 CAADHN CN1CC[C@@H](NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051794111 782704314 /nfs/dbraw/zinc/70/43/14/782704314.db2.gz HLNCHKUYEGJRBD-DTWKUNHWSA-N 0 3 284.316 -2.481 20 0 CAADHN CN1CC[C@H](NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051794110 782704440 /nfs/dbraw/zinc/70/44/40/782704440.db2.gz HLNCHKUYEGJRBD-BDAKNGLRSA-N 0 3 284.316 -2.481 20 0 CAADHN Cc1ncc(CNC[C@H]2CN(C(=O)C(N)=O)CCO2)cn1 ZINC001051793492 782704610 /nfs/dbraw/zinc/70/46/10/782704610.db2.gz BMQXVBQXWJMWLY-NSHDSACASA-N 0 3 293.327 -1.413 20 0 CAADHN CN1CCC[C@H](NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051794450 782704665 /nfs/dbraw/zinc/70/46/65/782704665.db2.gz NMTGVTKZWJWCLE-UWVGGRQHSA-N 0 3 298.343 -2.091 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H](CN[C@@H]2CCC(=O)NC2=O)C1 ZINC001051794318 782704706 /nfs/dbraw/zinc/70/47/06/782704706.db2.gz KEIYBVFHVPIFJB-JGVFFNPUSA-N 0 3 298.299 -2.906 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051793439 782704767 /nfs/dbraw/zinc/70/47/67/782704767.db2.gz AMAQBERJKBZZSW-JGVFFNPUSA-N 0 3 270.289 -2.823 20 0 CAADHN Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051795075 782706012 /nfs/dbraw/zinc/70/60/12/782706012.db2.gz ZFGAWWXHWIFWAG-LLVKDONJSA-N 0 3 295.343 -1.469 20 0 CAADHN CCN1CC[C@@H](NC[C@@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051794803 782706364 /nfs/dbraw/zinc/70/63/64/782706364.db2.gz SPIOHNOLFGNZLQ-NXEZZACHSA-N 0 3 298.343 -2.091 20 0 CAADHN NC(=O)C(=O)N1CCO[C@@H](CN[C@@H]2CCCNC2=O)C1 ZINC001051795092 782706563 /nfs/dbraw/zinc/70/65/63/782706563.db2.gz ZQQLFEFEOYRTBJ-DTWKUNHWSA-N 0 3 284.316 -2.433 20 0 CAADHN CCN1CC[C@@H](NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051794805 782706693 /nfs/dbraw/zinc/70/66/93/782706693.db2.gz SPIOHNOLFGNZLQ-VHSXEESVSA-N 0 3 298.343 -2.091 20 0 CAADHN Cn1cncc1CNC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051795320 782706743 /nfs/dbraw/zinc/70/67/43/782706743.db2.gz DZFFOYCDYBRLJW-JTQLQIEISA-N 0 3 281.316 -1.778 20 0 CAADHN NC(=O)C(=O)N1CCO[C@H](CN[C@H]2CCCNC2=O)C1 ZINC001051795091 782706815 /nfs/dbraw/zinc/70/68/15/782706815.db2.gz ZQQLFEFEOYRTBJ-BDAKNGLRSA-N 0 3 284.316 -2.433 20 0 CAADHN Cc1nc(CNC[C@H]2CN(C(=O)C(N)=O)CCO2)n[nH]1 ZINC001051794661 782706839 /nfs/dbraw/zinc/70/68/39/782706839.db2.gz QVXHPTFSYSHYQD-QMMMGPOBSA-N 0 3 282.304 -2.085 20 0 CAADHN NC(=O)C(=O)N1CCO[C@H](CNCc2cccnc2)C1 ZINC001051795460 782706921 /nfs/dbraw/zinc/70/69/21/782706921.db2.gz HHFOSTQWUQCYLL-LLVKDONJSA-N 0 3 278.312 -1.116 20 0 CAADHN Cn1cc(CNC[C@@H]2CN(C(=O)C(N)=O)CCO2)cn1 ZINC001051795394 782707046 /nfs/dbraw/zinc/70/70/46/782707046.db2.gz FZTAKMMPQGHCAL-SNVBAGLBSA-N 0 3 281.316 -1.778 20 0 CAADHN Cn1nccc1CNC[C@H]1CN(C(=O)C(N)=O)CCO1 ZINC001051796488 782707074 /nfs/dbraw/zinc/70/70/74/782707074.db2.gz SGPDRSVOXVQDAR-JTQLQIEISA-N 0 3 281.316 -1.778 20 0 CAADHN CN1CCC[C@@H](NC[C@H]2CN(C(=O)C(N)=O)CCO2)C1=O ZINC001051794451 782707108 /nfs/dbraw/zinc/70/71/08/782707108.db2.gz NMTGVTKZWJWCLE-VHSXEESVSA-N 0 3 298.343 -2.091 20 0 CAADHN O=C(c1cnon1)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051876031 782708051 /nfs/dbraw/zinc/70/80/51/782708051.db2.gz HALQYOHJDJEHAP-RKDXNWHRSA-N 0 3 295.299 -1.611 20 0 CAADHN O=C(c1nc[nH]n1)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001051872930 782708185 /nfs/dbraw/zinc/70/81/85/782708185.db2.gz PNGYCKYIFDMTTP-RKDXNWHRSA-N 0 3 294.315 -1.876 20 0 CAADHN O=C(c1nc[n-]n1)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001051872930 782708193 /nfs/dbraw/zinc/70/81/93/782708193.db2.gz PNGYCKYIFDMTTP-RKDXNWHRSA-N 0 3 294.315 -1.876 20 0 CAADHN O=C(c1cnon1)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051876029 782708642 /nfs/dbraw/zinc/70/86/42/782708642.db2.gz HALQYOHJDJEHAP-DTWKUNHWSA-N 0 3 295.299 -1.611 20 0 CAADHN CC(=O)NCCN(CCO)C(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001057833802 782717285 /nfs/dbraw/zinc/71/72/85/782717285.db2.gz RJPXFZTWFJTOHP-OLZOCXBDSA-N 0 3 299.371 -1.193 20 0 CAADHN COCC(=O)NCCN(CCO)C(=O)CN(C)C(C)C ZINC001057862095 782719108 /nfs/dbraw/zinc/71/91/08/782719108.db2.gz HLQXJXILWFFLTH-UHFFFAOYSA-N 0 3 289.376 -1.090 20 0 CAADHN CC[C@H](C(=O)N(CCO)CCNC(=O)COC)N(C)C ZINC001057973960 782721416 /nfs/dbraw/zinc/72/14/16/782721416.db2.gz FPIKLVNAHJFYRU-LLVKDONJSA-N 0 3 289.376 -1.090 20 0 CAADHN CC[C@H](C(=O)N(CCO)CCNC(=O)C(N)=O)N(C)C ZINC001057975282 782721492 /nfs/dbraw/zinc/72/14/92/782721492.db2.gz MFSDAALMCKUBEI-SECBINFHSA-N 0 3 288.348 -2.251 20 0 CAADHN CC[C@@H](C(=O)N(CCO)CCNC(=O)C(N)=O)N(C)C ZINC001058168607 782724723 /nfs/dbraw/zinc/72/47/23/782724723.db2.gz MFSDAALMCKUBEI-VIFPVBQESA-N 0 3 288.348 -2.251 20 0 CAADHN CCCN(C)CC(=O)N(CCO)CCNC(=O)C(N)=O ZINC001058253923 782726307 /nfs/dbraw/zinc/72/63/07/782726307.db2.gz NQNAHTAIFVJXNR-UHFFFAOYSA-N 0 3 288.348 -2.249 20 0 CAADHN CN1CC[C@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001255416870 782731479 /nfs/dbraw/zinc/73/14/79/782731479.db2.gz ATUJEZUPKPTHMG-FHMMKVKMSA-N 0 3 262.306 -2.920 20 0 CAADHN CN1CC[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C1 ZINC001255416871 782731616 /nfs/dbraw/zinc/73/16/16/782731616.db2.gz ATUJEZUPKPTHMG-KEWAQLPFSA-N 0 3 262.306 -2.920 20 0 CAADHN O=C(CN1CC(=O)NC1=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001098055452 782732957 /nfs/dbraw/zinc/73/29/57/782732957.db2.gz ATSSLULMVLWTEZ-BBBLOLIVSA-N 0 3 296.327 -1.748 20 0 CAADHN C[C@@H](O)CN1CC([C@H](C)NC(=O)Cn2ncnn2)C1 ZINC001276380657 782733230 /nfs/dbraw/zinc/73/32/30/782733230.db2.gz BZQNUQHEOYATEL-BDAKNGLRSA-N 0 3 268.321 -1.510 20 0 CAADHN CN1CC[C@H](NCC(=O)NCC(=O)NCC(N)=O)C1 ZINC001255428021 782736870 /nfs/dbraw/zinc/73/68/70/782736870.db2.gz VGSLDROCJUAARY-QMMMGPOBSA-N 0 3 271.321 -3.002 20 0 CAADHN C[C@@H]1[C@H](NS(=O)(=O)N2CCNCC2)CCS1(=O)=O ZINC000386754132 782740281 /nfs/dbraw/zinc/74/02/81/782740281.db2.gz FWGUUHVDVITXGG-RKDXNWHRSA-N 0 3 297.402 -1.698 20 0 CAADHN O=C(CNS(=O)(=O)N1CCNCC1)N1CCOCC1 ZINC000387364149 782740394 /nfs/dbraw/zinc/74/03/94/782740394.db2.gz GQFHNJWHZOXCHN-UHFFFAOYSA-N 0 3 292.361 -2.415 20 0 CAADHN CC(C)[C@@H](O)C(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001070188583 782746763 /nfs/dbraw/zinc/74/67/63/782746763.db2.gz HMRRRPZXPFFCCM-GRYCIOLGSA-N 0 3 297.359 -1.371 20 0 CAADHN O=C(c1cn[n-]n1)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070224427 782747496 /nfs/dbraw/zinc/74/74/96/782747496.db2.gz FSVSGEUMGAWVIV-ZJUUUORDSA-N 0 3 292.303 -1.956 20 0 CAADHN CC(=O)N1C[C@@H](NCCn2cncn2)[C@@H](n2ccnn2)C1 ZINC001070114784 782747725 /nfs/dbraw/zinc/74/77/25/782747725.db2.gz GKOLLEGCVSVCQE-NEPJUHHUSA-N 0 3 290.331 -1.069 20 0 CAADHN C[C@H](O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001070264342 782749585 /nfs/dbraw/zinc/74/95/85/782749585.db2.gz JERSPNJGDWWTNZ-YIZRAAEISA-N 0 3 282.304 -2.514 20 0 CAADHN C[C@@H](O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001070264341 782749663 /nfs/dbraw/zinc/74/96/63/782749663.db2.gz JERSPNJGDWWTNZ-HLTSFMKQSA-N 0 3 282.304 -2.514 20 0 CAADHN C[C@H](O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001070529415 782750618 /nfs/dbraw/zinc/75/06/18/782750618.db2.gz NHAODVUBHWXDKE-ATZCPNFKSA-N 0 3 295.343 -1.830 20 0 CAADHN Cn1cnc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2NCCO)c1 ZINC001070529601 782750714 /nfs/dbraw/zinc/75/07/14/782750714.db2.gz XJIAYXNBTBOCNX-WCBMZHEXSA-N 0 3 281.316 -2.218 20 0 CAADHN C[C@H](O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001070685505 782753936 /nfs/dbraw/zinc/75/39/36/782753936.db2.gz FQNWEPGIWJBAKQ-IVZWLZJFSA-N 0 3 295.343 -1.830 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)C[C@]2(CCN(CCO)C2)O1 ZINC001071149279 782757134 /nfs/dbraw/zinc/75/71/34/782757134.db2.gz JJXMQAVPSNMDMR-GXFFZTMASA-N 0 3 285.344 -1.454 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@]2(CCN(CCO)C2)O1 ZINC001071207392 782758511 /nfs/dbraw/zinc/75/85/11/782758511.db2.gz YSYMSURYIXSPNX-CABZTGNLSA-N 0 3 271.317 -1.844 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CCN(CCCO)C2)O1 ZINC001071203611 782758749 /nfs/dbraw/zinc/75/87/49/782758749.db2.gz FCXOHNAHECHISL-GXFFZTMASA-N 0 3 285.344 -1.454 20 0 CAADHN COCCN1CC[C@]2(C1)CN(C(=O)C(N)=O)C[C@@H](C)O2 ZINC001071203748 782758813 /nfs/dbraw/zinc/75/88/13/782758813.db2.gz HFIVTUIGHCWTLX-MFKMUULPSA-N 0 3 285.344 -1.190 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)C[C@@]2(CCN(CCCO)C2)O1 ZINC001071150063 782759623 /nfs/dbraw/zinc/75/96/23/782759623.db2.gz WULHUGWOIHFAHQ-FZMZJTMJSA-N 0 3 299.371 -1.064 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@]2(CCN(CCO)C2)O1 ZINC001071207394 782759717 /nfs/dbraw/zinc/75/97/17/782759717.db2.gz YSYMSURYIXSPNX-JOYOIKCWSA-N 0 3 271.317 -1.844 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1)N(C)C ZINC001071220948 782759964 /nfs/dbraw/zinc/75/99/64/782759964.db2.gz PEVZHPULZFLFHR-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(C)[C@@H](C(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1)C1CC1 ZINC001071221354 782760746 /nfs/dbraw/zinc/76/07/46/782760746.db2.gz XEWKXEOOLBHMBQ-GHMZBOCLSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)Cn2ncnn2)CN1CCO ZINC001071514913 782763623 /nfs/dbraw/zinc/76/36/23/782763623.db2.gz PHDZZGFXQMYQRL-VHSXEESVSA-N 0 3 268.321 -1.366 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)CN2CCOCC2=O)CN1CCO ZINC001071574014 782767039 /nfs/dbraw/zinc/76/70/39/782767039.db2.gz LPVDEXFTBDLXBJ-NWDGAFQWSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(NC[C@@H]1CN2CCN1CCC2)c1nnc[nH]1 ZINC000394811650 782765906 /nfs/dbraw/zinc/76/59/06/782765906.db2.gz SREUXTFKGKYORW-SECBINFHSA-N 0 3 250.306 -1.076 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)Cn2ncn(C)c2=O)CN1CCO ZINC001071624453 782766251 /nfs/dbraw/zinc/76/62/51/782766251.db2.gz HGPCWLSUNZHKGI-QWRGUYRKSA-N 0 3 297.359 -1.457 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)CN2CCOCC2=O)CN1CCO ZINC001071574016 782766810 /nfs/dbraw/zinc/76/68/10/782766810.db2.gz LPVDEXFTBDLXBJ-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001071220617 782761308 /nfs/dbraw/zinc/76/13/08/782761308.db2.gz JFNCBANKXTWMBB-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)CN1CCO ZINC001071901536 782770311 /nfs/dbraw/zinc/77/03/11/782770311.db2.gz SIJZSRVZKOGZFY-UWVGGRQHSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)CN1CCO ZINC001071901535 782771048 /nfs/dbraw/zinc/77/10/48/782771048.db2.gz SIJZSRVZKOGZFY-NXEZZACHSA-N 0 3 298.343 -1.500 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)CN2CC(=O)NC2=O)CN1CCO ZINC001071901538 782771168 /nfs/dbraw/zinc/77/11/68/782771168.db2.gz SIJZSRVZKOGZFY-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN CCN(CC)CC(=O)N1C[C@H](NC(=O)C(N)=O)[C@@H](C)C1 ZINC001072151326 782773583 /nfs/dbraw/zinc/77/35/83/782773583.db2.gz AJTHXRXFQKDVHN-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CON(C)C(=O)CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000397465734 782779223 /nfs/dbraw/zinc/77/92/23/782779223.db2.gz ITOMGAIYPXNGOQ-VIFPVBQESA-N 0 3 287.276 -1.238 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001072638083 782779280 /nfs/dbraw/zinc/77/92/80/782779280.db2.gz GBQVMHBHEBLBJL-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CON(C)C(=O)CNC[C@H](O)CN1CCOCC1 ZINC000397536510 782777841 /nfs/dbraw/zinc/77/78/41/782777841.db2.gz LPLYRVCTRCPHQK-JTQLQIEISA-N 0 3 261.322 -1.711 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1C ZINC001072638084 782779055 /nfs/dbraw/zinc/77/90/55/782779055.db2.gz GBQVMHBHEBLBJL-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CCN(CC)CC(=O)N1C[C@@H](C)[C@@H](NC(=O)C(N)=O)C1 ZINC001072151328 782773211 /nfs/dbraw/zinc/77/32/11/782773211.db2.gz AJTHXRXFQKDVHN-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)C[C@@H]1NC(=O)C1(N(C)C)CCC1 ZINC001072638191 782780084 /nfs/dbraw/zinc/78/00/84/782780084.db2.gz HOHYBSNIBSEING-UWVGGRQHSA-N 0 3 296.371 -1.081 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001072641036 782780170 /nfs/dbraw/zinc/78/01/70/782780170.db2.gz JVDZGRNBTTUAFU-NXEZZACHSA-N 0 3 284.360 -1.225 20 0 CAADHN Cn1cc(C(=O)N2CC3(C2)CCN(CCO)C3)nn1 ZINC001072697085 782782948 /nfs/dbraw/zinc/78/29/48/782782948.db2.gz ATEJZUHELSOLDM-UHFFFAOYSA-N 0 3 265.317 -1.045 20 0 CAADHN CN1CCC[C@@H](N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1=O ZINC001072935959 782785972 /nfs/dbraw/zinc/78/59/72/782785972.db2.gz KCKDMUUJIXBUKJ-SNVBAGLBSA-N 0 3 294.355 -1.373 20 0 CAADHN CN1CCC[C@H](N2CCC3(CN(C(=O)C(N)=O)C3)C2)C1=O ZINC001072935958 782786579 /nfs/dbraw/zinc/78/65/79/782786579.db2.gz KCKDMUUJIXBUKJ-JTQLQIEISA-N 0 3 294.355 -1.373 20 0 CAADHN O=C(c1cn[nH]n1)N1CC2(C1)CCN(CCO)C2 ZINC001072892073 782786709 /nfs/dbraw/zinc/78/67/09/782786709.db2.gz IIBYOTQDDFJURD-UHFFFAOYSA-N 0 3 251.290 -1.055 20 0 CAADHN Cn1ncc(C(=O)N2CC3(C2)CCN(CCO)C3)n1 ZINC001073057332 782789458 /nfs/dbraw/zinc/78/94/58/782789458.db2.gz UEAPIUHXXIPTTL-UHFFFAOYSA-N 0 3 265.317 -1.045 20 0 CAADHN O=C(c1nc[nH]n1)N1CC2(C1)CCN(CCO)C2 ZINC001073067421 782789515 /nfs/dbraw/zinc/78/95/15/782789515.db2.gz VUBKHBAXKMUTPE-UHFFFAOYSA-N 0 3 251.290 -1.055 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)c1ccc(=O)[nH]n1 ZINC001073526901 782792972 /nfs/dbraw/zinc/79/29/72/782792972.db2.gz NTOBAZJWCDXUFR-JTQLQIEISA-N 0 3 296.327 -1.005 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)[C@H]1CCNC(=O)C1 ZINC001073571629 782794473 /nfs/dbraw/zinc/79/44/73/782794473.db2.gz GFQPKQYIVVZVQM-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)CC1=O ZINC001073630138 782794781 /nfs/dbraw/zinc/79/47/81/782794781.db2.gz NXNMUJZMSGWEIY-VXGBXAGGSA-N 0 3 299.371 -1.336 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@@H]1CCC(=O)NC1 ZINC001073672863 782795477 /nfs/dbraw/zinc/79/54/77/782795477.db2.gz RBIRAKMDOOCTFK-NEPJUHHUSA-N 0 3 299.371 -1.288 20 0 CAADHN COCCN1CCCO[C@H](CNC(=O)[C@@H]2CCNC2=O)C1 ZINC001073726553 782795939 /nfs/dbraw/zinc/79/59/39/782795939.db2.gz OHKNFOSKYHOUPX-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN O=C(NC[C@H]1CN(CCCO)CCCO1)[C@@H]1CCNC1=O ZINC001073729869 782796165 /nfs/dbraw/zinc/79/61/65/782796165.db2.gz ZBYPYRLTZBVPAW-NWDGAFQWSA-N 0 3 299.371 -1.288 20 0 CAADHN O=C(NC[C@H]1CN(CCO)CCCO1)[C@H]1CCNC1=O ZINC001073729764 782796180 /nfs/dbraw/zinc/79/61/80/782796180.db2.gz WHPVAHCDSXCONW-QWRGUYRKSA-N 0 3 285.344 -1.678 20 0 CAADHN C[C@@H](O)CN1CCCO[C@H](CNC(=O)c2nnn(C)n2)C1 ZINC001073733678 782797538 /nfs/dbraw/zinc/79/75/38/782797538.db2.gz IBDRTNZGRMNOEG-NXEZZACHSA-N 0 3 298.347 -1.588 20 0 CAADHN CNC(=O)CN1CCCO[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001073824578 782797737 /nfs/dbraw/zinc/79/77/37/782797737.db2.gz UYSMQXZAKNSIBT-VIFPVBQESA-N 0 3 296.331 -1.629 20 0 CAADHN O=C(NC[C@@H]1CN(CCO)CCCO1)c1c[nH]c(=O)cn1 ZINC001073748887 782797892 /nfs/dbraw/zinc/79/78/92/782797892.db2.gz LCLCKHPPPLBFHK-SNVBAGLBSA-N 0 3 296.327 -1.417 20 0 CAADHN CCN1CCCO[C@@H](CNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001073751755 782798333 /nfs/dbraw/zinc/79/83/33/782798333.db2.gz HXJFROXBAGLQRN-UWVGGRQHSA-N 0 3 270.333 -1.105 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001073740659 782798929 /nfs/dbraw/zinc/79/89/29/782798929.db2.gz HIXKGIOIWRFRAF-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@H](O)CN1CCCO[C@@H](CNC(=O)c2nnn(C)n2)C1 ZINC001073733697 782799193 /nfs/dbraw/zinc/79/91/93/782799193.db2.gz IBDRTNZGRMNOEG-UWVGGRQHSA-N 0 3 298.347 -1.588 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)Cn2cnnn2)[C@H]1C)C(N)=O ZINC001074521740 782807771 /nfs/dbraw/zinc/80/77/71/782807771.db2.gz BBDIOSJKPNRBHR-CIUDSAMLSA-N 0 3 281.320 -1.874 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)CC(N)=O ZINC001074575084 782808093 /nfs/dbraw/zinc/80/80/93/782808093.db2.gz VHXNYXNNMOLDEP-XHNCKOQMSA-N 0 3 268.317 -1.671 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@H](N[C@@H](C)C(N)=O)[C@@H]2C)C1 ZINC001074624300 782808143 /nfs/dbraw/zinc/80/81/43/782808143.db2.gz RPSFOQCCLVFBMZ-AUTRQRHGSA-N 0 3 296.371 -1.083 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C)C(N)=O ZINC001074633555 782808452 /nfs/dbraw/zinc/80/84/52/782808452.db2.gz PNHUEAOLBRKDNQ-VGMNWLOBSA-N 0 3 280.332 -1.119 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)c1cnnn1C ZINC001074633463 782808499 /nfs/dbraw/zinc/80/84/99/782808499.db2.gz JTIFCHGLJLMZGB-LPEHRKFASA-N 0 3 292.343 -1.104 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1COC(=O)N1 ZINC001074631208 782808534 /nfs/dbraw/zinc/80/85/34/782808534.db2.gz GINLFLIKDOKDDA-FXQIFTODSA-N 0 3 270.289 -1.841 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1COC(=O)N1 ZINC001074631207 782808660 /nfs/dbraw/zinc/80/86/60/782808660.db2.gz GINLFLIKDOKDDA-BIIVOSGPSA-N 0 3 270.289 -1.841 20 0 CAADHN CC(=O)N1CC(C(=O)N2CC[C@H](N[C@H](C)C(N)=O)[C@@H]2C)C1 ZINC001074624301 782808678 /nfs/dbraw/zinc/80/86/78/782808678.db2.gz RPSFOQCCLVFBMZ-PTRXPTGYSA-N 0 3 296.371 -1.083 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C)C(N)=O ZINC001074573918 782808694 /nfs/dbraw/zinc/80/86/94/782808694.db2.gz WUTSKICKYZBGHU-CSMHCCOUSA-N 0 3 256.306 -1.685 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC001074563686 782808841 /nfs/dbraw/zinc/80/88/41/782808841.db2.gz YOUWHDNBTLBEDR-XWLWVQCSSA-N 0 3 294.355 -1.268 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C)C(N)=O ZINC001074563625 782809019 /nfs/dbraw/zinc/80/90/19/782809019.db2.gz TWQJNFZLHNRYEJ-AATLWQCWSA-N 0 3 282.344 -1.282 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001074656013 782809122 /nfs/dbraw/zinc/80/91/22/782809122.db2.gz QEZINMRMSHRWIY-VPOLOUISSA-N 0 3 296.371 -1.035 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C)C(N)=O ZINC001074637459 782809350 /nfs/dbraw/zinc/80/93/50/782809350.db2.gz YAMKQOZFZQMDFN-VGMNWLOBSA-N 0 3 280.332 -1.119 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCN1C(=O)CC(N)=O ZINC001074574978 782809359 /nfs/dbraw/zinc/80/93/59/782809359.db2.gz GHQJFCVNOSPMRM-GUBZILKMSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)c1cn(C)nn1 ZINC001074638809 782809444 /nfs/dbraw/zinc/80/94/44/782809444.db2.gz KKOAZVOOMAUIDB-GUBZILKMSA-N 0 3 292.343 -1.104 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)Cn2ncnn2)[C@H]1C)C(N)=O ZINC001074654513 782809479 /nfs/dbraw/zinc/80/94/79/782809479.db2.gz UXUFIQJOGLFAFD-VGMNWLOBSA-N 0 3 281.320 -1.874 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)c1cnnn1C ZINC001074633462 782809505 /nfs/dbraw/zinc/80/95/05/782809505.db2.gz JTIFCHGLJLMZGB-GUBZILKMSA-N 0 3 292.343 -1.104 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)[C@H]1C)C(N)=O ZINC001074837981 782813472 /nfs/dbraw/zinc/81/34/72/782813472.db2.gz UGEIPBQOLPMWRT-CIUDSAMLSA-N 0 3 293.327 -1.164 20 0 CAADHN CCN1CC[C@@H](N[C@H]2CCN(C(=O)C(N)=O)[C@H]2C)C1=O ZINC001074846100 782813508 /nfs/dbraw/zinc/81/35/08/782813508.db2.gz PADWYOSZRAFUEG-LPEHRKFASA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@@H]1CCN(C)C1=O ZINC001074701356 782810214 /nfs/dbraw/zinc/81/02/14/782810214.db2.gz HVRZVHNXYOFFIC-DCAQKATOSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@H]1CCC(=O)NC1 ZINC001074682849 782810496 /nfs/dbraw/zinc/81/04/96/782810496.db2.gz LOULOOAVWHCMMJ-AXFHLTTASA-N 0 3 296.371 -1.033 20 0 CAADHN CCN1C[C@@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)CC1=O ZINC001074675905 782810515 /nfs/dbraw/zinc/81/05/15/782810515.db2.gz QAATUELCOUZKIV-DCAQKATOSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CCCC(=O)N1 ZINC001074700307 782810576 /nfs/dbraw/zinc/81/05/76/782810576.db2.gz GQHWOULGWKEFEI-LPEHRKFASA-N 0 3 282.344 -1.281 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CC(=O)N(C)C1 ZINC001074676667 782810596 /nfs/dbraw/zinc/81/05/96/782810596.db2.gz XFFSSQAFWNSEKA-GUBZILKMSA-N 0 3 282.344 -1.471 20 0 CAADHN CCN1C[C@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)CC1=O ZINC001074675904 782810622 /nfs/dbraw/zinc/81/06/22/782810622.db2.gz QAATUELCOUZKIV-AXFHLTTASA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001074798292 782811695 /nfs/dbraw/zinc/81/16/95/782811695.db2.gz GQCHMXPODACFNN-CIUDSAMLSA-N 0 3 283.332 -1.926 20 0 CAADHN CC[C@H](N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(N)=O ZINC001074846088 782813552 /nfs/dbraw/zinc/81/35/52/782813552.db2.gz NBEAHEDOLDZQFY-FXQIFTODSA-N 0 3 256.306 -1.685 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001074710884 782811888 /nfs/dbraw/zinc/81/18/88/782811888.db2.gz JKAMJZAIPFLKNA-NOOOWODRSA-N 0 3 298.387 -1.230 20 0 CAADHN C[C@H](C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C)S(C)(=O)=O ZINC001074711759 782812016 /nfs/dbraw/zinc/81/20/16/782812016.db2.gz JZHGQMDCBYXJLA-YIZRAAEISA-N 0 3 291.373 -1.516 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001074716698 782812352 /nfs/dbraw/zinc/81/23/52/782812352.db2.gz JCODUWAKTUSCEO-AXFHLTTASA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCC(=O)NC2=O)CCN1C(=O)C(N)=O ZINC001074846310 782813665 /nfs/dbraw/zinc/81/36/65/782813665.db2.gz WJEUXURXRLUPFN-FXQIFTODSA-N 0 3 282.300 -2.144 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCCN(C)C2=O)CCN1C(=O)C(N)=O ZINC001074846296 782812963 /nfs/dbraw/zinc/81/29/63/782812963.db2.gz VOVUPMSGQRFQTD-LPEHRKFASA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CS(C)(=O)=O)[C@H]1C)C(N)=O ZINC001074553893 782807025 /nfs/dbraw/zinc/80/70/25/782807025.db2.gz DJPJLFOBNSXQLH-VGMNWLOBSA-N 0 3 291.373 -1.516 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCCNC2=O)CCN1C(=O)C(N)=O ZINC001074846009 782813712 /nfs/dbraw/zinc/81/37/12/782813712.db2.gz HJTILLBNJRBMEZ-XHNCKOQMSA-N 0 3 268.317 -1.671 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)c2nnn(C)n2)[C@H]1C)C(N)=O ZINC001074806705 782813740 /nfs/dbraw/zinc/81/37/40/782813740.db2.gz MBTYSFQLSRDFTB-FXQIFTODSA-N 0 3 281.320 -1.724 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001074884645 782813827 /nfs/dbraw/zinc/81/38/27/782813827.db2.gz LVLODWKRUAPTGQ-KZVJFYERSA-N 0 3 268.317 -1.828 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)C(N)=O ZINC001074846251 782813839 /nfs/dbraw/zinc/81/38/39/782813839.db2.gz UCBGAHGRQMKZFN-FXQIFTODSA-N 0 3 254.290 -2.061 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H]1CCN(C)C1=O ZINC001074815072 782813852 /nfs/dbraw/zinc/81/38/52/782813852.db2.gz WLFRINJTYUOXDU-AEJSXWLSSA-N 0 3 282.344 -1.471 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001075074475 782814433 /nfs/dbraw/zinc/81/44/33/782814433.db2.gz WMKDHFDPLBVNLW-WCQGTBRESA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@H]1CCC(=O)N(C)C1 ZINC001075131723 782814662 /nfs/dbraw/zinc/81/46/62/782814662.db2.gz YCRSQGALENXYNM-DCAQKATOSA-N 0 3 296.371 -1.081 20 0 CAADHN CCN1CCO[C@@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001075119029 782814905 /nfs/dbraw/zinc/81/49/05/782814905.db2.gz NXMCLECFAUKDBR-SDDRHHMPSA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC001075053943 782814930 /nfs/dbraw/zinc/81/49/30/782814930.db2.gz YOUWHDNBTLBEDR-NAKRPEOUSA-N 0 3 294.355 -1.268 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)c2cnn(C)n2)[C@H]1C)C(N)=O ZINC001074964907 782814958 /nfs/dbraw/zinc/81/49/58/782814958.db2.gz YYRCBXPJYLEYCX-VGMNWLOBSA-N 0 3 280.332 -1.119 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CC[C@H](NCC(N)=O)[C@@H]2C)C1 ZINC001075119031 782815027 /nfs/dbraw/zinc/81/50/27/782815027.db2.gz NXMCLECFAUKDBR-SRVKXCTJSA-N 0 3 298.387 -1.229 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1C)C(N)=O ZINC001075053775 782815194 /nfs/dbraw/zinc/81/51/94/782815194.db2.gz TWQJNFZLHNRYEJ-KATARQTJSA-N 0 3 282.344 -1.282 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)c1cnn(C)n1 ZINC001074967138 782815282 /nfs/dbraw/zinc/81/52/82/782815282.db2.gz WIPUNQBAZUWZNX-LPEHRKFASA-N 0 3 292.343 -1.104 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C[C@@H]1CCC(=O)N1 ZINC001074962374 782815306 /nfs/dbraw/zinc/81/53/06/782815306.db2.gz QLBJRVPIVHBCGO-GUBZILKMSA-N 0 3 282.344 -1.281 20 0 CAADHN COC(=O)N(C)CCNS(=O)(=O)N1CCNCC1 ZINC000689509262 782817540 /nfs/dbraw/zinc/81/75/40/782817540.db2.gz JQEQKVYBMKWFNI-UHFFFAOYSA-N 0 3 280.350 -1.576 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)CC2(CCN(CCO)CC2)O1 ZINC001098630396 782817578 /nfs/dbraw/zinc/81/75/78/782817578.db2.gz FKXHTPRHYWRCAG-SNVBAGLBSA-N 0 3 285.344 -1.454 20 0 CAADHN C[C@H]1CN(C(=O)C(N)=O)CC2(CCN(CCO)CC2)O1 ZINC001098630395 782818130 /nfs/dbraw/zinc/81/81/30/782818130.db2.gz FKXHTPRHYWRCAG-JTQLQIEISA-N 0 3 285.344 -1.454 20 0 CAADHN C[C@H](O)CN1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001099009268 782820326 /nfs/dbraw/zinc/82/03/26/782820326.db2.gz YCHBGDAZMSBDQN-AUTRQRHGSA-N 0 3 255.318 -1.177 20 0 CAADHN NC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)Cc2nnc[nH]2)C1 ZINC001099113419 782819331 /nfs/dbraw/zinc/81/93/31/782819331.db2.gz OHJDRVTXYMJFKO-ZANVPECISA-N 0 3 292.343 -1.197 20 0 CAADHN NC(=O)C(=O)N[C@]12CCC[C@H]1CN([C@@H]1CCCNC1=O)C2 ZINC001099007169 782820023 /nfs/dbraw/zinc/82/00/23/782820023.db2.gz ZJEXGGWXXSGELW-RBZYPMLTSA-N 0 3 294.355 -1.279 20 0 CAADHN COCCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099608254 782821306 /nfs/dbraw/zinc/82/13/06/782821306.db2.gz ZCRICHPUXREUNS-GHMZBOCLSA-N 0 3 260.334 -1.043 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001099631322 782823899 /nfs/dbraw/zinc/82/38/99/782823899.db2.gz VNTRCIUKACLRCE-MNOVXSKESA-N 0 3 273.333 -1.680 20 0 CAADHN COCCN1CC[C@H](NC(=O)CNC(N)=O)[C@H](O)C1 ZINC001099651035 782824994 /nfs/dbraw/zinc/82/49/94/782824994.db2.gz OJECXDBBWRXKAL-DTWKUNHWSA-N 0 3 274.321 -2.148 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001099645154 782825495 /nfs/dbraw/zinc/82/54/95/782825495.db2.gz MZCOVBLCXIHSNA-QWRGUYRKSA-N 0 3 298.347 -1.739 20 0 CAADHN COCCN1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099651036 782825787 /nfs/dbraw/zinc/82/57/87/782825787.db2.gz OJECXDBBWRXKAL-IUCAKERBSA-N 0 3 274.321 -2.148 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001099665470 782827003 /nfs/dbraw/zinc/82/70/03/782827003.db2.gz HTYVKVGFBYZMIT-RKDXNWHRSA-N 0 3 276.312 -1.434 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN(C)C(C)=O)[C@H](O)C1 ZINC001099691062 782827113 /nfs/dbraw/zinc/82/71/13/782827113.db2.gz ZCZDAAHRAJIFRF-VXGBXAGGSA-N 0 3 287.360 -1.338 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN(C)C(C)=O)[C@H](O)C1 ZINC001099691060 782827213 /nfs/dbraw/zinc/82/72/13/782827213.db2.gz ZCZDAAHRAJIFRF-NWDGAFQWSA-N 0 3 287.360 -1.338 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN(C)C(C)=O)[C@@H](O)C1 ZINC001099691061 782828104 /nfs/dbraw/zinc/82/81/04/782828104.db2.gz ZCZDAAHRAJIFRF-RYUDHWBXSA-N 0 3 287.360 -1.338 20 0 CAADHN COCCN1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099704528 782829243 /nfs/dbraw/zinc/82/92/43/782829243.db2.gz MKLAONWNGILDHL-VHSXEESVSA-N 0 3 289.332 -1.460 20 0 CAADHN COC(=O)NCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099707669 782829579 /nfs/dbraw/zinc/82/95/79/782829579.db2.gz VVSHWOMXVRKTFZ-NXEZZACHSA-N 0 3 289.332 -1.724 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760587 782833984 /nfs/dbraw/zinc/83/39/84/782833984.db2.gz KVRGMXBAMOKNGG-VHSXEESVSA-N 0 3 273.333 -1.550 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001099758777 782833924 /nfs/dbraw/zinc/83/39/24/782833924.db2.gz XZEKAZNBXIYKKB-BDAKNGLRSA-N 0 3 259.306 -1.940 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099761909 782834716 /nfs/dbraw/zinc/83/47/16/782834716.db2.gz XBLATUZWKHACCU-BDAKNGLRSA-N 0 3 259.306 -2.204 20 0 CAADHN CCN1CC[C@H](NC(=O)CCS(=O)(=O)NC)[C@@H](O)C1 ZINC001099832169 782840487 /nfs/dbraw/zinc/84/04/87/782840487.db2.gz CLFRWBPAZPGCAR-UWVGGRQHSA-N 0 3 293.389 -1.503 20 0 CAADHN NC(=O)CC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099761910 782836144 /nfs/dbraw/zinc/83/61/44/782836144.db2.gz XBLATUZWKHACCU-DTWKUNHWSA-N 0 3 259.306 -2.204 20 0 CAADHN CC(C)OCCN1CC[C@@H](NC(=O)CC(N)=O)[C@H](O)C1 ZINC001099760829 782836576 /nfs/dbraw/zinc/83/65/76/782836576.db2.gz OTAIAMOFLZIORJ-GHMZBOCLSA-N 0 3 287.360 -1.162 20 0 CAADHN CNC(=O)CC(=O)N[C@H]1CCN(CCOC)C[C@H]1O ZINC001099791808 782837026 /nfs/dbraw/zinc/83/70/26/782837026.db2.gz LAOSDVYOAWOUHJ-VHSXEESVSA-N 0 3 273.333 -1.680 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCn2ccnn2)[C@H](O)C1 ZINC001099799835 782837150 /nfs/dbraw/zinc/83/71/50/782837150.db2.gz STGLKVATXOKCMK-NWDGAFQWSA-N 0 3 297.359 -1.134 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001099799834 782837446 /nfs/dbraw/zinc/83/74/46/782837446.db2.gz STGLKVATXOKCMK-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN O=C(CCn1ccnn1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099802588 782837500 /nfs/dbraw/zinc/83/75/00/782837500.db2.gz YFLSUCYKPALLOG-NEPJUHHUSA-N 0 3 297.359 -1.398 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099797472 782838027 /nfs/dbraw/zinc/83/80/27/782838027.db2.gz UTOJEGCNBXIEEJ-GHMZBOCLSA-N 0 3 287.360 -1.554 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)CC(=O)NC)[C@@H](O)C1 ZINC001099791740 782838079 /nfs/dbraw/zinc/83/80/79/782838079.db2.gz JZQCUOCCAJCYRI-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN O=C(CCc1ncc[nH]1)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001099810237 782838180 /nfs/dbraw/zinc/83/81/80/782838180.db2.gz PWFOYXMPBLFJKO-MNOVXSKESA-N 0 3 282.344 -1.114 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099792449 782838356 /nfs/dbraw/zinc/83/83/56/782838356.db2.gz VENVWQHESRKTHN-ZJUUUORDSA-N 0 3 273.333 -1.944 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCNC(=O)NC)[C@@H](O)C1 ZINC001099813309 782839156 /nfs/dbraw/zinc/83/91/56/782839156.db2.gz NCVCOISTKHHTME-ZJUUUORDSA-N 0 3 272.349 -1.123 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCNC(=O)NC)[C@H](O)C1 ZINC001099813306 782839277 /nfs/dbraw/zinc/83/92/77/782839277.db2.gz NCVCOISTKHHTME-NXEZZACHSA-N 0 3 272.349 -1.123 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCS(=O)(=O)NC)[C@H](O)C1 ZINC001099832168 782839973 /nfs/dbraw/zinc/83/99/73/782839973.db2.gz CLFRWBPAZPGCAR-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099863430 782840729 /nfs/dbraw/zinc/84/07/29/782840729.db2.gz LUTAIOGMYIXQJL-VHSXEESVSA-N 0 3 288.348 -2.151 20 0 CAADHN CCN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](O)C1 ZINC001099860562 782840960 /nfs/dbraw/zinc/84/09/60/782840960.db2.gz DQXGHVBNZXIBGJ-VHSXEESVSA-N 0 3 293.389 -1.551 20 0 CAADHN O=C(CCc1c[nH]cn1)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001099872486 782840993 /nfs/dbraw/zinc/84/09/93/782840993.db2.gz UZFWFDRJSXWFRB-RYUDHWBXSA-N 0 3 282.344 -1.114 20 0 CAADHN O=C(CCc1c[nH]cn1)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001099872487 782841030 /nfs/dbraw/zinc/84/10/30/782841030.db2.gz UZFWFDRJSXWFRB-VXGBXAGGSA-N 0 3 282.344 -1.114 20 0 CAADHN CN(CC(=O)N[C@@H]1CCN(CC(N)=O)C[C@@H]1O)C1CCC1 ZINC001099880124 782841608 /nfs/dbraw/zinc/84/16/08/782841608.db2.gz VQGLXICPMHNGHI-NEPJUHHUSA-N 0 3 298.387 -1.493 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099863431 782841622 /nfs/dbraw/zinc/84/16/22/782841622.db2.gz LUTAIOGMYIXQJL-ZJUUUORDSA-N 0 3 288.348 -2.151 20 0 CAADHN CCN1CC[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](O)C1 ZINC001099860561 782841969 /nfs/dbraw/zinc/84/19/69/782841969.db2.gz DQXGHVBNZXIBGJ-UWVGGRQHSA-N 0 3 293.389 -1.551 20 0 CAADHN CN(C)C1(C(=O)N[C@@H]2CCN(CC(N)=O)C[C@@H]2O)CCC1 ZINC001099871689 782842169 /nfs/dbraw/zinc/84/21/69/782842169.db2.gz JGUYKBCHXSGAGO-MNOVXSKESA-N 0 3 298.387 -1.493 20 0 CAADHN CN(CC(=O)N[C@@H]1CCN(CC(N)=O)C[C@H]1O)C1CCC1 ZINC001099880127 782842351 /nfs/dbraw/zinc/84/23/51/782842351.db2.gz VQGLXICPMHNGHI-VXGBXAGGSA-N 0 3 298.387 -1.493 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980393 782847247 /nfs/dbraw/zinc/84/72/47/782847247.db2.gz HFAHCUOIUDOJRL-NXEZZACHSA-N 0 3 293.389 -1.374 20 0 CAADHN CCN1CC[C@@H](NC(=O)C(=O)NCC(F)F)[C@@H](O)C1 ZINC001099901180 782842916 /nfs/dbraw/zinc/84/29/16/782842916.db2.gz FDILKSNAQXYHRH-SFYZADRCSA-N 0 3 279.287 -1.061 20 0 CAADHN CC(C)OCCN1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099974198 782845741 /nfs/dbraw/zinc/84/57/41/782845741.db2.gz OFLHGEUGBXLMBZ-UWVGGRQHSA-N 0 3 273.333 -1.552 20 0 CAADHN CCN1CC[C@@H](NC(=O)CNS(=O)(=O)NC)[C@H](O)C1 ZINC001099936701 782845810 /nfs/dbraw/zinc/84/58/10/782845810.db2.gz CNAUEYMEWFLEAR-RKDXNWHRSA-N 0 3 294.377 -2.389 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001099936016 782845963 /nfs/dbraw/zinc/84/59/63/782845963.db2.gz YJIWIZDNSXHVLR-MNOVXSKESA-N 0 3 297.359 -1.457 20 0 CAADHN CCCCOCCN1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099973280 782845999 /nfs/dbraw/zinc/84/59/99/782845999.db2.gz APZLAWRKDIREJD-WDEREUQCSA-N 0 3 287.360 -1.160 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980341 782847662 /nfs/dbraw/zinc/84/76/62/782847662.db2.gz GPMVEYONDNEQOJ-NXEZZACHSA-N 0 3 285.344 -1.550 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099980344 782847675 /nfs/dbraw/zinc/84/76/75/782847675.db2.gz GPMVEYONDNEQOJ-ZJUUUORDSA-N 0 3 285.344 -1.550 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100143227 782853897 /nfs/dbraw/zinc/85/38/97/782853897.db2.gz QDINYAGRDQBBSB-WDEREUQCSA-N 0 3 287.360 -1.160 20 0 CAADHN CCN1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980394 782847953 /nfs/dbraw/zinc/84/79/53/782847953.db2.gz HFAHCUOIUDOJRL-UWVGGRQHSA-N 0 3 293.389 -1.374 20 0 CAADHN COCCN1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@@H](O)C1 ZINC001100056102 782848442 /nfs/dbraw/zinc/84/84/42/782848442.db2.gz OTSCZXNPCDOYSQ-RYUDHWBXSA-N 0 3 299.371 -1.290 20 0 CAADHN CN(C)C(=O)CC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001100029183 782848558 /nfs/dbraw/zinc/84/85/58/782848558.db2.gz KEZKDJNDXDMBMZ-MNOVXSKESA-N 0 3 287.360 -1.602 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100045886 782848586 /nfs/dbraw/zinc/84/85/86/782848586.db2.gz FYUDYSKRVHPLBY-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCn2cnnn2)[C@H](O)C1 ZINC001100045888 782848686 /nfs/dbraw/zinc/84/86/86/782848686.db2.gz FYUDYSKRVHPLBY-WDEREUQCSA-N 0 3 298.347 -1.739 20 0 CAADHN COCCN1CC[C@H](NC(=O)C(=O)NCC2CC2)[C@H](O)C1 ZINC001100056101 782848871 /nfs/dbraw/zinc/84/88/71/782848871.db2.gz OTSCZXNPCDOYSQ-NWDGAFQWSA-N 0 3 299.371 -1.290 20 0 CAADHN CCN1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046865 782848905 /nfs/dbraw/zinc/84/89/05/782848905.db2.gz TZEXKRJKMMPETP-UWVGGRQHSA-N 0 3 268.321 -1.366 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CCN(CC(N)=O)C[C@@H]1O ZINC001100048521 782848933 /nfs/dbraw/zinc/84/89/33/782848933.db2.gz MXVFEHVNYRQDFA-MNOVXSKESA-N 0 3 286.376 -1.635 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100106749 782853932 /nfs/dbraw/zinc/85/39/32/782853932.db2.gz ZNEHLVCLRCQZKV-RKDXNWHRSA-N 0 3 258.322 -1.384 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100046867 782849180 /nfs/dbraw/zinc/84/91/80/782849180.db2.gz TZEXKRJKMMPETP-ZJUUUORDSA-N 0 3 268.321 -1.366 20 0 CAADHN O=C(NCC1CC1)C(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001100055422 782849315 /nfs/dbraw/zinc/84/93/15/782849315.db2.gz CESNVSAEUMATMJ-RYUDHWBXSA-N 0 3 299.371 -1.554 20 0 CAADHN COCCN1CC[C@H](NC(=O)CC(=O)N(C)C)[C@@H](O)C1 ZINC001100030269 782849937 /nfs/dbraw/zinc/84/99/37/782849937.db2.gz WRPCYGUZBJLQAC-QWRGUYRKSA-N 0 3 287.360 -1.338 20 0 CAADHN Cn1cncc1CCC(=O)N[C@H]1CCN(CCO)C[C@H]1O ZINC001100094539 782850166 /nfs/dbraw/zinc/85/01/66/782850166.db2.gz OEZAOQBFXGAAED-QWHCGFSZSA-N 0 3 296.371 -1.104 20 0 CAADHN CCN1CC[C@H](NC(=O)COCc2ncnn2C)[C@H](O)C1 ZINC001100058693 782850898 /nfs/dbraw/zinc/85/08/98/782850898.db2.gz YBRSXKLOUOMHBC-WDEREUQCSA-N 0 3 297.359 -1.097 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100101359 782850916 /nfs/dbraw/zinc/85/09/16/782850916.db2.gz LAWMMDZXOUXXJL-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1CCN(CC(N)=O)C[C@H]1O ZINC001100082943 782851398 /nfs/dbraw/zinc/85/13/98/782851398.db2.gz KPJSEQMPRQNKRP-WDEREUQCSA-N 0 3 286.376 -1.635 20 0 CAADHN CCN1CC[C@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001100058692 782851543 /nfs/dbraw/zinc/85/15/43/782851543.db2.gz YBRSXKLOUOMHBC-QWRGUYRKSA-N 0 3 297.359 -1.097 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CCN(CC(N)=O)C[C@H]1O ZINC001100082940 782851602 /nfs/dbraw/zinc/85/16/02/782851602.db2.gz KPJSEQMPRQNKRP-GHMZBOCLSA-N 0 3 286.376 -1.635 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100105126 782851670 /nfs/dbraw/zinc/85/16/70/782851670.db2.gz FIGLTBSPWQYFLJ-ZJUUUORDSA-N 0 3 288.348 -1.757 20 0 CAADHN COCCN1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100105124 782851828 /nfs/dbraw/zinc/85/18/28/782851828.db2.gz FIGLTBSPWQYFLJ-UWVGGRQHSA-N 0 3 288.348 -1.757 20 0 CAADHN CCN1CC[C@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001100106748 782852858 /nfs/dbraw/zinc/85/28/58/782852858.db2.gz ZNEHLVCLRCQZKV-IUCAKERBSA-N 0 3 258.322 -1.384 20 0 CAADHN CCN1CC[C@H](NC(=O)CCNC(N)=O)[C@H](O)C1 ZINC001100106747 782852918 /nfs/dbraw/zinc/85/29/18/782852918.db2.gz ZNEHLVCLRCQZKV-DTWKUNHWSA-N 0 3 258.322 -1.384 20 0 CAADHN NC(=O)CCCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001100143056 782853467 /nfs/dbraw/zinc/85/34/67/782853467.db2.gz NHGCNJOIUOOUAZ-GHMZBOCLSA-N 0 3 287.360 -1.424 20 0 CAADHN C[C@@H]([NH2+]C1CC(CNC(=O)Cc2nnc[n-]2)C1)C(N)=O ZINC001100850315 782861198 /nfs/dbraw/zinc/86/11/98/782861198.db2.gz ZWAKVROUYTVBNX-AFPNSQJFSA-N 0 3 280.332 -1.295 20 0 CAADHN NC(=O)C[NH2+]C1CC(CNC(=O)Cc2nnc[n-]2)C1 ZINC001100850179 782862101 /nfs/dbraw/zinc/86/21/01/782862101.db2.gz SPUKZYZKYRAGAH-UHFFFAOYSA-N 0 3 266.305 -1.683 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)Cc2nnc[n-]2)C1 ZINC001100851770 782862930 /nfs/dbraw/zinc/86/29/30/782862930.db2.gz FQDVATXGGAFSKS-IDKOKCKLSA-N 0 3 294.359 -1.034 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C)C1 ZINC001101715506 782866826 /nfs/dbraw/zinc/86/68/26/782866826.db2.gz ARWFQVGLJZFDPJ-KXUCPTDWSA-N 0 3 295.347 -1.769 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)CNC(C)=O)[C@H](C)C1 ZINC001101684594 782866977 /nfs/dbraw/zinc/86/69/77/782866977.db2.gz LLDKSDMCBFWECK-CKYFFXLPSA-N 0 3 298.387 -1.059 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001101684758 782865821 /nfs/dbraw/zinc/86/58/21/782865821.db2.gz PUOPYUUDYRVGCN-WCABBAIRSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CNC(N)=O ZINC001101711289 782866248 /nfs/dbraw/zinc/86/62/48/782866248.db2.gz VBIMUNQYWPPASV-OPRDCNLKSA-N 0 3 297.359 -1.773 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101712405 782866400 /nfs/dbraw/zinc/86/64/00/782866400.db2.gz UQXKOVNEQWCRNO-KXUCPTDWSA-N 0 3 299.375 -1.527 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CNC(N)=O)[C@H](C)C1 ZINC001101711019 782866528 /nfs/dbraw/zinc/86/65/28/782866528.db2.gz IUIMCVMRPHOBIW-HRDYMLBCSA-N 0 3 285.348 -1.787 20 0 CAADHN C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C(N)=O ZINC001102310436 782872951 /nfs/dbraw/zinc/87/29/51/782872951.db2.gz WHOHXUUMGRFDAY-IWSPIJDZSA-N 0 3 268.317 -1.956 20 0 CAADHN C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101839998 782867383 /nfs/dbraw/zinc/86/73/83/782867383.db2.gz PKCWZGZJHFPFIJ-MXWKQRLJSA-N 0 3 296.371 -1.223 20 0 CAADHN CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101838882 782867646 /nfs/dbraw/zinc/86/76/46/782867646.db2.gz YQKVBLTZMZRPCE-KXUCPTDWSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)CC(N)=O)[C@H](C)C1 ZINC001101837805 782867673 /nfs/dbraw/zinc/86/76/73/782867673.db2.gz NUDPIRNKPAPDSN-HRDYMLBCSA-N 0 3 270.333 -1.580 20 0 CAADHN C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101838479 782868450 /nfs/dbraw/zinc/86/84/50/782868450.db2.gz FTQOGJTXJRXOPL-MXWKQRLJSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)CC(N)=O ZINC001101838897 782868801 /nfs/dbraw/zinc/86/88/01/782868801.db2.gz ZANIGWOIUMJUPQ-BBBLOLIVSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)CC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1C ZINC001101908294 782868954 /nfs/dbraw/zinc/86/89/54/782868954.db2.gz NGQFKHXSBDMPIG-GMTAPVOTSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)C2(C(N)=O)CC2)[C@H](C)C1 ZINC001102298150 782869579 /nfs/dbraw/zinc/86/95/79/782869579.db2.gz LCCGJYYCWGABLY-OPRDCNLKSA-N 0 3 296.371 -1.190 20 0 CAADHN C[C@@H](C(=O)NC(N)=O)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102300929 782869665 /nfs/dbraw/zinc/86/96/65/782869665.db2.gz IXLYEUCAQJUBFJ-GJMOJQLCSA-N 0 3 299.331 -2.261 20 0 CAADHN C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)C(N)=O ZINC001102306421 782870323 /nfs/dbraw/zinc/87/03/23/782870323.db2.gz SZDOAJKSCPGZHB-OPRDCNLKSA-N 0 3 282.344 -1.614 20 0 CAADHN C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)C(N)=O ZINC001102304434 782870408 /nfs/dbraw/zinc/87/04/08/782870408.db2.gz HEFOALQCJUBAMI-IWSPIJDZSA-N 0 3 296.327 -2.039 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](CNC(=O)Cn2nccn2)[C@H](C)C1 ZINC001102004863 782870536 /nfs/dbraw/zinc/87/05/36/782870536.db2.gz IAHFBJCFWULEGS-GMTAPVOTSA-N 0 3 294.359 -1.164 20 0 CAADHN CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102306215 782870592 /nfs/dbraw/zinc/87/05/92/782870592.db2.gz LDCKJEPAAPBBNT-IWSPIJDZSA-N 0 3 270.333 -1.710 20 0 CAADHN CNC(=O)NCC(=O)NC[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C ZINC001102022502 782871023 /nfs/dbraw/zinc/87/10/23/782871023.db2.gz AQWUFKNWLJIMIO-KXUCPTDWSA-N 0 3 299.375 -1.527 20 0 CAADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(C)=O)C1 ZINC001102639674 782872103 /nfs/dbraw/zinc/87/21/03/782872103.db2.gz IBDLYELKXDWAMI-ZYHUDNBSSA-N 0 3 298.387 -1.057 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)CC(N)=O ZINC001102802210 782872325 /nfs/dbraw/zinc/87/23/25/782872325.db2.gz YHQPIRDNHUYQIW-RKDXNWHRSA-N 0 3 270.333 -1.579 20 0 CAADHN CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)CNC(N)=O)C1 ZINC001102654771 782872679 /nfs/dbraw/zinc/87/26/79/782872679.db2.gz ZVSLQIGPJJEKHD-NXEZZACHSA-N 0 3 299.375 -1.525 20 0 CAADHN CC(C)NC(=O)CN1C[C@@H](CNC(=O)C(N)=O)[C@H](C)C1 ZINC001102310140 782873322 /nfs/dbraw/zinc/87/33/22/782873322.db2.gz QLLVGWXELJZDBD-NXEZZACHSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1CNC(=O)N1 ZINC001103381699 782874054 /nfs/dbraw/zinc/87/40/54/782874054.db2.gz OYSZVVOKUXSTOL-OPRDCNLKSA-N 0 3 297.359 -1.773 20 0 CAADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CCNC(=O)C(N)=O ZINC001103389270 782874431 /nfs/dbraw/zinc/87/44/31/782874431.db2.gz MVLRHNGOROSMGM-HTQZYQBOSA-N 0 3 299.331 -2.259 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001103439530 782874670 /nfs/dbraw/zinc/87/46/70/782874670.db2.gz GVTBWSOPGUYNSP-DBIOUOCHSA-N 0 3 296.371 -1.333 20 0 CAADHN CCNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C(N)=O)C1 ZINC001103391336 782875097 /nfs/dbraw/zinc/87/50/97/782875097.db2.gz AAVDRPHRJMHWJV-NXEZZACHSA-N 0 3 284.360 -1.318 20 0 CAADHN COC[C@@H](O)CN1C[C@@H]2CCC[C@]2(NC(=O)C(N)=O)C1 ZINC001111857086 782875726 /nfs/dbraw/zinc/87/57/26/782875726.db2.gz UYMFXGHJKPWXGW-KWBADKCTSA-N 0 3 285.344 -1.550 20 0 CAADHN CN(C)C(=O)C1(C(=O)N[C@@H]2[C@H]3CN(CCO)C[C@H]32)CC1 ZINC001115109425 782879792 /nfs/dbraw/zinc/87/97/92/782879792.db2.gz VXDXOUVFVDAWIY-URLYPYJESA-N 0 3 281.356 -1.107 20 0 CAADHN CN(CCO)CCN(C)C(=O)Cn1cccnc1=O ZINC000691249701 782876739 /nfs/dbraw/zinc/87/67/39/782876739.db2.gz LTJGWSGZSYAXAS-UHFFFAOYSA-N 0 3 268.317 -1.374 20 0 CAADHN Cn1ncnc1COCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001115046398 782878370 /nfs/dbraw/zinc/87/83/70/782878370.db2.gz LQCGQYNYDCSRGD-IWIIMEHWSA-N 0 3 295.343 -1.630 20 0 CAADHN O=C(CC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21)NCC1CC1 ZINC001115093581 782878682 /nfs/dbraw/zinc/87/86/82/782878682.db2.gz FZWCFKLEVNKENU-YABSGUDNSA-N 0 3 281.356 -1.059 20 0 CAADHN CN(CCCN1CCN(C)CC1)C(=O)CC(N)=O ZINC001116178763 782889275 /nfs/dbraw/zinc/88/92/75/782889275.db2.gz PABGOMOUZYEWFX-UHFFFAOYSA-N 0 3 256.350 -1.042 20 0 CAADHN CN1CCN(CCCCNC(=O)NC(CO)CO)CC1 ZINC001116174997 782889705 /nfs/dbraw/zinc/88/97/05/782889705.db2.gz GESKZZWXFRQGSR-UHFFFAOYSA-N 0 3 288.392 -1.334 20 0 CAADHN C[C@H](CNC(=O)C(=O)NC[C@H](C)N(C)C)S(N)(=O)=O ZINC001116525346 782901624 /nfs/dbraw/zinc/90/16/24/782901624.db2.gz IGDIUFSIBUKIOZ-JGVFFNPUSA-N 0 3 294.377 -2.154 20 0 CAADHN CNC(=O)CCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC001116616441 782903237 /nfs/dbraw/zinc/90/32/37/782903237.db2.gz KWKDHJIOGNWMRY-GFCCVEGCSA-N 0 3 272.349 -1.122 20 0 CAADHN CNC(=O)CCCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC001116616442 782903380 /nfs/dbraw/zinc/90/33/80/782903380.db2.gz KWKDHJIOGNWMRY-LBPRGKRZSA-N 0 3 272.349 -1.122 20 0 CAADHN NS(=O)(=O)NC[C@H]1CCCN(CCOCCO)C1 ZINC001116596216 782903466 /nfs/dbraw/zinc/90/34/66/782903466.db2.gz NXAXQHGBXUNVOK-SNVBAGLBSA-N 0 3 281.378 -1.500 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001207898216 775101919 /nfs/dbraw/zinc/10/19/19/775101919.db2.gz MFOKRHGPZJLTGB-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCOCCN1CCN(CCCNC(=O)C(N)=O)CC1 ZINC001266271133 775103232 /nfs/dbraw/zinc/10/32/32/775103232.db2.gz GKCUUKGJJUPCTA-UHFFFAOYSA-N 0 3 286.376 -1.368 20 0 CAADHN CNS(=O)(=O)CCNC(=O)C(N)C(F)(F)F ZINC000705286133 775106602 /nfs/dbraw/zinc/10/66/02/775106602.db2.gz RWBXOHPQHHAYFT-BYPYZUCNSA-N 0 3 263.241 -1.459 20 0 CAADHN NC(=O)[C@@H]1CN(c2ncc3c(n2)CCNC3)CCO1 ZINC001167069231 775106725 /nfs/dbraw/zinc/10/67/25/775106725.db2.gz CKXLUVKVASOTHQ-JTQLQIEISA-N 0 3 263.301 -1.187 20 0 CAADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001208338989 775106753 /nfs/dbraw/zinc/10/67/53/775106753.db2.gz NUOVISSYYUJFEK-OPRDCNLKSA-N 0 3 298.347 -1.733 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001208338988 775106768 /nfs/dbraw/zinc/10/67/68/775106768.db2.gz NUOVISSYYUJFEK-KXUCPTDWSA-N 0 3 298.347 -1.733 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cccc(=O)[nH]1 ZINC001125298271 775108530 /nfs/dbraw/zinc/10/85/30/775108530.db2.gz ZPDOBIWYXCFLRC-MRVPVSSYSA-N 0 3 264.285 -1.005 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cccc(=O)[nH]1 ZINC001125297129 775108959 /nfs/dbraw/zinc/10/89/59/775108959.db2.gz PDMWRABHXGBMCH-MRVPVSSYSA-N 0 3 292.295 -1.088 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cccc(=O)[nH]1 ZINC001125298275 775109218 /nfs/dbraw/zinc/10/92/18/775109218.db2.gz ZPDOBIWYXCFLRC-QMMMGPOBSA-N 0 3 264.285 -1.005 20 0 CAADHN O=C(CCn1cncn1)N[C@@H]1CCN(CCO)C1 ZINC001266302441 775110373 /nfs/dbraw/zinc/11/03/73/775110373.db2.gz PMTDEZJCPURQJO-SNVBAGLBSA-N 0 3 253.306 -1.149 20 0 CAADHN O=C1CNC(=O)N1CCN1C[C@H](CO)[C@H](CO)C1 ZINC000705375668 775112666 /nfs/dbraw/zinc/11/26/66/775112666.db2.gz AKONWUSVKHRMEV-DTORHVGOSA-N 0 3 257.290 -1.929 20 0 CAADHN CN(CCNC(=O)c1c[nH]c(=O)cn1)CCOCCO ZINC001266313755 775112791 /nfs/dbraw/zinc/11/27/91/775112791.db2.gz NHPRVGREAGHWKQ-UHFFFAOYSA-N 0 3 284.316 -1.560 20 0 CAADHN COC[C@H](O)CN(C)CCNC(=O)[C@]1(C)CCNC1=O ZINC001266326795 775115708 /nfs/dbraw/zinc/11/57/08/775115708.db2.gz LTPNYTOTQKPJRL-ZWNOBZJWSA-N 0 3 287.360 -1.432 20 0 CAADHN C[C@H](O)CN(C)CCNC(=O)C1CC(=O)NC(=O)C1 ZINC001266338048 775116956 /nfs/dbraw/zinc/11/69/56/775116956.db2.gz VQHWAEXTIDDWMC-QMMMGPOBSA-N 0 3 271.317 -1.532 20 0 CAADHN CNC(=O)C1(C(=O)NCCN(C)C[C@@H](O)COC)CC1 ZINC001266338244 775117375 /nfs/dbraw/zinc/11/73/75/775117375.db2.gz ZNQYOVMVTVXBPY-SNVBAGLBSA-N 0 3 287.360 -1.432 20 0 CAADHN CNC(=O)C1(C(=O)NCCN(C)C[C@H](C)O)CC1 ZINC001266338044 775117437 /nfs/dbraw/zinc/11/74/37/775117437.db2.gz VNGXZLOTHOZDOY-VIFPVBQESA-N 0 3 257.334 -1.059 20 0 CAADHN CNC(=O)C1(C(=O)NCCN(C)C[C@@H](C)O)CC1 ZINC001266338043 775117877 /nfs/dbraw/zinc/11/78/77/775117877.db2.gz VNGXZLOTHOZDOY-SECBINFHSA-N 0 3 257.334 -1.059 20 0 CAADHN C[C@@H](C(N)=O)N(C)CCNC(=O)Cc1cnc[nH]1 ZINC001266330103 775118129 /nfs/dbraw/zinc/11/81/29/775118129.db2.gz SQWMLIGIBBXGBW-QMMMGPOBSA-N 0 3 253.306 -1.126 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209040205 775118957 /nfs/dbraw/zinc/11/89/57/775118957.db2.gz ROKHLNZDRDRCQT-MRVPVSSYSA-N 0 3 281.320 -1.850 20 0 CAADHN CN(CCNC(=O)c1ncn[nH]1)CC(=O)NC1CC1 ZINC001266340420 775119533 /nfs/dbraw/zinc/11/95/33/775119533.db2.gz XTBDFMKEIICWAA-UHFFFAOYSA-N 0 3 266.305 -1.255 20 0 CAADHN CS(=O)(=O)NC1CN(C(=O)C(N)C(F)(F)F)C1 ZINC000705541578 775119844 /nfs/dbraw/zinc/11/98/44/775119844.db2.gz FTYIUYHINHEXSB-RXMQYKEDSA-N 0 3 275.252 -1.364 20 0 CAADHN COCC(=O)N(C)CCOCCN[C@H]1CCNC1=O ZINC001279376141 775121987 /nfs/dbraw/zinc/12/19/87/775121987.db2.gz VRNBHVXPPQSJBR-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN CO[C@H](C)CN(C)CCNC(=O)CN1C(=O)CNC1=O ZINC001266357406 775123842 /nfs/dbraw/zinc/12/38/42/775123842.db2.gz XBRIIOGKNODLNR-SECBINFHSA-N 0 3 286.332 -1.379 20 0 CAADHN CCN(CCNC(=O)[C@H]1CCNC1=O)CCn1cncn1 ZINC001266408788 775127421 /nfs/dbraw/zinc/12/74/21/775127421.db2.gz SYJPOKFWBRCHMB-NSHDSACASA-N 0 3 294.359 -1.148 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H](N[C@H]1CCNC1=O)C1CC1 ZINC001266403958 775127467 /nfs/dbraw/zinc/12/74/67/775127467.db2.gz GIOQLNJPYJKUEH-QWRGUYRKSA-N 0 3 296.371 -1.115 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H](N[C@@H]1CCNC1=O)C1CC1 ZINC001266403957 775127740 /nfs/dbraw/zinc/12/77/40/775127740.db2.gz GIOQLNJPYJKUEH-MNOVXSKESA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@@H](C(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21)N(C)C ZINC001083195925 775127894 /nfs/dbraw/zinc/12/78/94/775127894.db2.gz WNUMEOLDWRGNPT-SDDRHHMPSA-N 0 3 298.387 -1.277 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H](N[C@H]1CCNC1=O)C1CC1 ZINC001266403959 775127988 /nfs/dbraw/zinc/12/79/88/775127988.db2.gz GIOQLNJPYJKUEH-WDEREUQCSA-N 0 3 296.371 -1.115 20 0 CAADHN COC[C@@H](O)CN1CCC(CS(N)(=O)=O)CC1 ZINC000089992565 775128196 /nfs/dbraw/zinc/12/81/96/775128196.db2.gz GVAMJAHAWDPBTI-JTQLQIEISA-N 0 3 266.363 -1.006 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](COC)OC)C1 ZINC001209543427 775129877 /nfs/dbraw/zinc/12/98/77/775129877.db2.gz MGPVYFATAHNGML-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN NC(=O)CC(=O)N1CCC([C@H]2CCN(CC(N)=O)C2)CC1 ZINC001039121794 775130046 /nfs/dbraw/zinc/13/00/46/775130046.db2.gz NFFXFQKRFUGMPN-NSHDSACASA-N 0 3 296.371 -1.092 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCN(C)C1=O)C1CC1 ZINC001266427411 775130258 /nfs/dbraw/zinc/13/02/58/775130258.db2.gz YKXWHQUPGMEYSO-MNOVXSKESA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CNC(=O)C(N)=O)C1CC1 ZINC001266425848 775130330 /nfs/dbraw/zinc/13/03/30/775130330.db2.gz CAAAWLJUOZCMRP-HTRCEHHLSA-N 0 3 256.306 -1.909 20 0 CAADHN O=C(CCc1cn[nH]n1)N1CCO[C@@H]2CN(CCO)C[C@@H]21 ZINC001083198058 775131867 /nfs/dbraw/zinc/13/18/67/775131867.db2.gz YOIKPMXAMFSEKA-NWDGAFQWSA-N 0 3 295.343 -1.359 20 0 CAADHN O=C(CCc1c[nH]nn1)N1CCO[C@@H]2CN(CCO)C[C@@H]21 ZINC001083198058 775131876 /nfs/dbraw/zinc/13/18/76/775131876.db2.gz YOIKPMXAMFSEKA-NWDGAFQWSA-N 0 3 295.343 -1.359 20 0 CAADHN Cc1ncoc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001125331630 775132990 /nfs/dbraw/zinc/13/29/90/775132990.db2.gz ZLTWKIKJALSLAY-SSDOTTSWSA-N 0 3 283.288 -1.114 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001266504738 775137033 /nfs/dbraw/zinc/13/70/33/775137033.db2.gz QJEAEJQSCAVAQE-VIFPVBQESA-N 0 3 269.301 -1.189 20 0 CAADHN O=C(CN1C(=O)CCC1=O)NC[C@@H]1CCCN1CCO ZINC001266492082 775137248 /nfs/dbraw/zinc/13/72/48/775137248.db2.gz HUEGDTOMANEJTI-JTQLQIEISA-N 0 3 283.328 -1.292 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001266504394 775137505 /nfs/dbraw/zinc/13/75/05/775137505.db2.gz AXQLMAVYMJFSQJ-CBAPKCEASA-N 0 3 256.306 -1.813 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H]1CCCN1CCO ZINC001266492419 775137706 /nfs/dbraw/zinc/13/77/06/775137706.db2.gz OOMSVYXWMQWGQK-ZJUUUORDSA-N 0 3 298.343 -1.453 20 0 CAADHN CS(=O)(=O)CCC(=O)NCC1CC(NCC(N)=O)C1 ZINC001100450915 775139125 /nfs/dbraw/zinc/13/91/25/775139125.db2.gz PTTGTROURODLHD-UHFFFAOYSA-N 0 3 291.373 -1.609 20 0 CAADHN C[C@@H](C(=O)NCC1CC(NCC(N)=O)C1)S(C)(=O)=O ZINC001100450727 775139357 /nfs/dbraw/zinc/13/93/57/775139357.db2.gz IEQPFIAJEBEJHH-UEJVZZJDSA-N 0 3 291.373 -1.611 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001266517508 775139457 /nfs/dbraw/zinc/13/94/57/775139457.db2.gz VJECOWALCLSVHQ-YUMQZZPRSA-N 0 3 256.306 -1.813 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](NCC(=O)N(C)C)C1 ZINC001266519182 775139516 /nfs/dbraw/zinc/13/95/16/775139516.db2.gz AONBTQNSDVJSDM-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN COCC(=O)N1CCC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001206982460 775139804 /nfs/dbraw/zinc/13/98/04/775139804.db2.gz PCJJPMKPDHJTEU-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN COCCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001207003877 775140428 /nfs/dbraw/zinc/14/04/28/775140428.db2.gz JHLYKCVWJATHRQ-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)C(N)=O)C1 ZINC001266528355 775140787 /nfs/dbraw/zinc/14/07/87/775140787.db2.gz OCEOJWGBIWSUMH-DTWKUNHWSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266528354 775141019 /nfs/dbraw/zinc/14/10/19/775141019.db2.gz OCEOJWGBIWSUMH-BDAKNGLRSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@@H](C(=O)N(C)C)N1CC[C@@H](CNC(=O)C(N)=O)C1 ZINC001266528356 775141109 /nfs/dbraw/zinc/14/11/09/775141109.db2.gz OCEOJWGBIWSUMH-IUCAKERBSA-N 0 3 270.333 -1.614 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001266549874 775144347 /nfs/dbraw/zinc/14/43/47/775144347.db2.gz LQASCCJOQWKAHL-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)CN1C[C@H]2OCCN(C(=O)Cc3c[nH]cn3)[C@H]2C1 ZINC001083207740 775148440 /nfs/dbraw/zinc/14/84/40/775148440.db2.gz MDAGBZVGHJUYII-WDEREUQCSA-N 0 3 293.327 -1.651 20 0 CAADHN Cc1cccnc1C(=O)NCCNCC(=O)NC(N)=O ZINC001125424457 775149140 /nfs/dbraw/zinc/14/91/40/775149140.db2.gz IOZJHMKVBZLMFQ-UHFFFAOYSA-N 0 3 279.300 -1.096 20 0 CAADHN NC(=O)CC(=O)N1CC2(C1)CCCN(CCOCCO)C2 ZINC001282955876 775152646 /nfs/dbraw/zinc/15/26/46/775152646.db2.gz BTZFSRNTVUYVFU-UHFFFAOYSA-N 0 3 299.371 -1.205 20 0 CAADHN C[C@@H]1NC(=O)N(CCN(CCO)CCCO)C1=O ZINC001167416312 775153231 /nfs/dbraw/zinc/15/32/31/775153231.db2.gz HXHCMQMAQMKUIR-VIFPVBQESA-N 0 3 259.306 -1.397 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)C(C)(C)F ZINC001266626050 775154801 /nfs/dbraw/zinc/15/48/01/775154801.db2.gz XQOJJEMJSRYLCU-UHFFFAOYSA-N 0 3 262.285 -1.023 20 0 CAADHN CC(=O)N(C)CCNCCN(C)S(C)(=O)=O ZINC001266624073 775154927 /nfs/dbraw/zinc/15/49/27/775154927.db2.gz PIRYLWZUNNHXBY-UHFFFAOYSA-N 0 3 251.352 -1.054 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)CNC(C)=O ZINC001266626888 775155432 /nfs/dbraw/zinc/15/54/32/775155432.db2.gz AQYZCYDMGMVMSF-UHFFFAOYSA-N 0 3 272.349 -1.303 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)c1cnn(C)c1 ZINC001266639336 775156669 /nfs/dbraw/zinc/15/66/69/775156669.db2.gz ZMICNSJUGMLCHS-SNVBAGLBSA-N 0 3 265.317 -1.030 20 0 CAADHN CC(C)OCC(=O)N(C)CCNCC(=O)NC(N)=O ZINC001266653179 775156702 /nfs/dbraw/zinc/15/67/02/775156702.db2.gz XHMJCVYGPHGMFP-UHFFFAOYSA-N 0 3 274.321 -1.346 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N(C)CCNCCF ZINC001266846012 775177405 /nfs/dbraw/zinc/17/74/05/775177405.db2.gz SHDUSSINQYEEGW-QMMMGPOBSA-N 0 3 269.342 -1.058 20 0 CAADHN CN(CCN[C@H]1CCNC1=O)C(=O)c1cnn(C)c1 ZINC001266639335 775156971 /nfs/dbraw/zinc/15/69/71/775156971.db2.gz ZMICNSJUGMLCHS-JTQLQIEISA-N 0 3 265.317 -1.030 20 0 CAADHN Cc1cc(C(=O)N(C)CCNCC(=O)NC(N)=O)on1 ZINC001266641287 775157372 /nfs/dbraw/zinc/15/73/72/775157372.db2.gz XPYBMZKTNKZDRJ-UHFFFAOYSA-N 0 3 283.288 -1.160 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)CN1CCCC1=O ZINC001266639245 775157406 /nfs/dbraw/zinc/15/74/06/775157406.db2.gz WFGZOGYEZGUHJY-UHFFFAOYSA-N 0 3 296.371 -1.065 20 0 CAADHN CCNC(=O)NC(=O)CNCCN(C)C(=O)CC(N)=O ZINC001266665981 775159030 /nfs/dbraw/zinc/15/90/30/775159030.db2.gz RQBHKHYCPGHQEW-UHFFFAOYSA-N 0 3 287.320 -2.245 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)CC(N)=O ZINC001266665963 775159247 /nfs/dbraw/zinc/15/92/47/775159247.db2.gz QWQIGNIKEJOEHB-UHFFFAOYSA-N 0 3 258.322 -1.564 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)[C@H]1CCC(=O)N1 ZINC001266660850 775159344 /nfs/dbraw/zinc/15/93/44/775159344.db2.gz UVIVRPZFJARJFD-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CN(CCNCC(N)=O)C(=O)C[C@@H]1COC(=O)C1 ZINC001266675786 775160192 /nfs/dbraw/zinc/16/01/92/775160192.db2.gz XVOSLBYGQFKVNO-QMMMGPOBSA-N 0 3 257.290 -1.527 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)c1ncn(C)n1 ZINC001266690502 775161913 /nfs/dbraw/zinc/16/19/13/775161913.db2.gz XJYCCJBQKWAKOA-UHFFFAOYSA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CCn1ccnn1)C(N)=O ZINC001266684645 775162122 /nfs/dbraw/zinc/16/21/22/775162122.db2.gz ZQWVFFYTSJZBLW-SECBINFHSA-N 0 3 268.321 -1.410 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C=C1CCC1 ZINC001125556865 775191815 /nfs/dbraw/zinc/19/18/15/775191815.db2.gz ZFXBLPCYPWGOLJ-UHFFFAOYSA-N 0 3 254.290 -1.003 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001266682460 775162379 /nfs/dbraw/zinc/16/23/79/775162379.db2.gz XZKJKLAYFHRFBC-JGVFFNPUSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1CCC(=O)N1 ZINC001266985683 775191835 /nfs/dbraw/zinc/19/18/35/775191835.db2.gz OWALTJKYQHPBCT-YUMQZZPRSA-N 0 3 256.306 -1.895 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CNC(=O)N1CCCC1 ZINC001266696593 775164139 /nfs/dbraw/zinc/16/41/39/775164139.db2.gz MUIMXXWUMPFENP-UHFFFAOYSA-N 0 3 285.348 -1.675 20 0 CAADHN C[C@H](C(=O)N(C)CCN[C@@H](C)C(N)=O)N1C(=O)CCC1=O ZINC001266718269 775165257 /nfs/dbraw/zinc/16/52/57/775165257.db2.gz JHHRVHYPYJIHSA-DTWKUNHWSA-N 0 3 298.343 -1.554 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001266716277 775165714 /nfs/dbraw/zinc/16/57/14/775165714.db2.gz PEZWEZVAJAHECS-MRVPVSSYSA-N 0 3 256.306 -2.002 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)C[C@@H]1CCNC1=O ZINC001266724169 775166688 /nfs/dbraw/zinc/16/66/88/775166688.db2.gz GTSLYZSQFYHKJP-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001207178143 775167268 /nfs/dbraw/zinc/16/72/68/775167268.db2.gz NQJNZYXATGGGLK-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(CCNCC(N)=O)C(=O)CCc1c[nH]cn1 ZINC001266720472 775167279 /nfs/dbraw/zinc/16/72/79/775167279.db2.gz LDDDONWCJSINCQ-UHFFFAOYSA-N 0 3 253.306 -1.124 20 0 CAADHN CNC(=O)NCC(=O)N(C)CCNCC(=O)N(C)C ZINC001266718538 775167355 /nfs/dbraw/zinc/16/73/55/775167355.db2.gz TUYOTSPMRKJFAC-UHFFFAOYSA-N 0 3 273.337 -1.948 20 0 CAADHN NC(=O)CC(=O)NC[C@@H]1CCCN(CCn2cncn2)C1 ZINC001266747041 775168033 /nfs/dbraw/zinc/16/80/33/775168033.db2.gz MIBDOCQERHSLDU-NSHDSACASA-N 0 3 294.359 -1.018 20 0 CAADHN C[C@@H]1C[C@H](C(=O)N(C)CCNCC(=O)NC(N)=O)CO1 ZINC001266748343 775168308 /nfs/dbraw/zinc/16/83/08/775168308.db2.gz CHVBFGASXARWSN-BDAKNGLRSA-N 0 3 286.332 -1.346 20 0 CAADHN CN(CCNCCNC(=O)C1CC1)S(C)(=O)=O ZINC000707225490 775172914 /nfs/dbraw/zinc/17/29/14/775172914.db2.gz BZMXXTLFWGSNHY-UHFFFAOYSA-N 0 3 263.363 -1.006 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001266809342 775173107 /nfs/dbraw/zinc/17/31/07/775173107.db2.gz WDQJHSAAXPHPLP-SNVBAGLBSA-N 0 3 284.360 -1.399 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1c[nH]c(=O)cn1 ZINC001266817949 775174470 /nfs/dbraw/zinc/17/44/70/775174470.db2.gz QXRLVRORAILVBV-UHFFFAOYSA-N 0 3 267.289 -1.823 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1ccoc1CC(N)=O ZINC001266817664 775174988 /nfs/dbraw/zinc/17/49/88/775174988.db2.gz NJXVALYMJDIMEH-UHFFFAOYSA-N 0 3 282.300 -1.546 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCCCO1 ZINC001125532446 775175082 /nfs/dbraw/zinc/17/50/82/775175082.db2.gz RNXUDJWTDJZXPF-SECBINFHSA-N 0 3 286.332 -1.154 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001207221939 775176345 /nfs/dbraw/zinc/17/63/45/775176345.db2.gz MLCDVJIHIYOWKH-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@]1(C)CCNC1=O ZINC001266834597 775176457 /nfs/dbraw/zinc/17/64/57/775176457.db2.gz VTECAXPYOCUXTE-GFCCVEGCSA-N 0 3 270.333 -1.693 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001266841200 775176618 /nfs/dbraw/zinc/17/66/18/775176618.db2.gz POEBXLSKLOAOAA-BBBLOLIVSA-N 0 3 298.343 -1.203 20 0 CAADHN Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)CCNCC(N)=O ZINC001266840942 775176697 /nfs/dbraw/zinc/17/66/97/775176697.db2.gz GWHOBHYFEGSLKR-UHFFFAOYSA-N 0 3 295.343 -1.502 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001207221760 775176929 /nfs/dbraw/zinc/17/69/29/775176929.db2.gz KVTIGKDGNXMMFZ-NXEZZACHSA-N 0 3 295.347 -1.612 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001207221763 775177206 /nfs/dbraw/zinc/17/72/06/775177206.db2.gz KVTIGKDGNXMMFZ-ZJUUUORDSA-N 0 3 295.347 -1.612 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001266841170 775177447 /nfs/dbraw/zinc/17/74/47/775177447.db2.gz OHBSNIMMFAXNIE-VIFPVBQESA-N 0 3 295.347 -1.841 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cn1ccc(C)cc1=O ZINC001266850909 775178242 /nfs/dbraw/zinc/17/82/42/775178242.db2.gz RQASBCMDOHPNDZ-UHFFFAOYSA-N 0 3 294.355 -1.049 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@@H]2CCNC2=O)n[nH]1 ZINC001125546296 775180115 /nfs/dbraw/zinc/18/01/15/775180115.db2.gz BJAFHWABHFFBMH-SNVBAGLBSA-N 0 3 265.317 -1.145 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@@H]2CCNC2=O)[nH]n1 ZINC001125546296 775180123 /nfs/dbraw/zinc/18/01/23/775180123.db2.gz BJAFHWABHFFBMH-SNVBAGLBSA-N 0 3 265.317 -1.145 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1CC[NH2+]CC(N)=O ZINC001104379884 775179885 /nfs/dbraw/zinc/17/98/85/775179885.db2.gz QGKWCYRSKHEGOZ-RKDXNWHRSA-N 0 3 280.332 -1.022 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@@H](C)C(N)=O)n[nH]1 ZINC001125546850 775180489 /nfs/dbraw/zinc/18/04/89/775180489.db2.gz MMLFKVQJLXXKBG-QMMMGPOBSA-N 0 3 253.306 -1.160 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@@H](C)C(N)=O)[nH]n1 ZINC001125546850 775180492 /nfs/dbraw/zinc/18/04/92/775180492.db2.gz MMLFKVQJLXXKBG-QMMMGPOBSA-N 0 3 253.306 -1.160 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1nc2ncccn2n1 ZINC001266904390 775181673 /nfs/dbraw/zinc/18/16/73/775181673.db2.gz ZSBLDVBSHFXHAA-UHFFFAOYSA-N 0 3 277.288 -1.729 20 0 CAADHN C[C@@H](CNC(=O)C1=COCCO1)N[C@@H](C)C(N)=O ZINC001266921430 775183614 /nfs/dbraw/zinc/18/36/14/775183614.db2.gz GIGOSCXKYHOJNL-YUMQZZPRSA-N 0 3 257.290 -1.157 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001266922811 775183641 /nfs/dbraw/zinc/18/36/41/775183641.db2.gz UNQLYASZMSBONV-ZETCQYMHSA-N 0 3 255.282 -2.487 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N[C@@H]1CCNC1=O ZINC001266922665 775184075 /nfs/dbraw/zinc/18/40/75/775184075.db2.gz RKZOWBRRPJCCPD-JGVFFNPUSA-N 0 3 267.293 -2.344 20 0 CAADHN C[C@@H](CNC(=O)Cn1cnnn1)N[C@H]1CCNC1=O ZINC001266922667 775184671 /nfs/dbraw/zinc/18/46/71/775184671.db2.gz RKZOWBRRPJCCPD-YUMQZZPRSA-N 0 3 267.293 -2.344 20 0 CAADHN C[C@H](CNC(=O)C1=COCCO1)N[C@H](C)C(N)=O ZINC001266921427 775184810 /nfs/dbraw/zinc/18/48/10/775184810.db2.gz GIGOSCXKYHOJNL-HTQZYQBOSA-N 0 3 257.290 -1.157 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N[C@@H]1CCC(=O)NC1=O ZINC001266936888 775185655 /nfs/dbraw/zinc/18/56/55/775185655.db2.gz YQVTZRKYIVGHHP-HTQZYQBOSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N[C@H]1CCC(=O)NC1=O ZINC001266936890 775186460 /nfs/dbraw/zinc/18/64/60/775186460.db2.gz YQVTZRKYIVGHHP-SFYZADRCSA-N 0 3 294.315 -1.672 20 0 CAADHN Cc1c(C(=O)NC[C@H](C)NCC(N)=O)nnn1C ZINC001266929470 775186477 /nfs/dbraw/zinc/18/64/77/775186477.db2.gz GKBVCAKYVIFLQI-LURJTMIESA-N 0 3 254.294 -1.683 20 0 CAADHN C[C@H](CNC(=O)CC(N)=O)NCC(=O)N1CCC1 ZINC001266929646 775186490 /nfs/dbraw/zinc/18/64/90/775186490.db2.gz JAVDSQFXCJLJJI-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)c1N)NCC(N)=O ZINC001266934762 775186707 /nfs/dbraw/zinc/18/67/07/775186707.db2.gz YYNFQWMETVHDNG-LURJTMIESA-N 0 3 254.294 -1.805 20 0 CAADHN C[C@@H](CNC(=O)Cn1ncnn1)N[C@H]1CCC(=O)NC1=O ZINC001266939435 775186765 /nfs/dbraw/zinc/18/67/65/775186765.db2.gz IAIYWSVFZWWZQQ-YUMQZZPRSA-N 0 3 295.303 -2.427 20 0 CAADHN CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1[n-]nnc1C ZINC001266960912 775187394 /nfs/dbraw/zinc/18/73/94/775187394.db2.gz OIZAASOYUBUVCP-SSDOTTSWSA-N 0 3 268.321 -1.043 20 0 CAADHN C[C@@H](CNC(=O)CCc1cncnc1)NCC(N)=O ZINC001266954454 775187534 /nfs/dbraw/zinc/18/75/34/775187534.db2.gz ARXZLZXQRHZAHZ-VIFPVBQESA-N 0 3 265.317 -1.011 20 0 CAADHN C[C@H](CNC(=O)c1cnc[n-]c1=O)[NH2+][C@@H](C)C(N)=O ZINC001266946242 775187775 /nfs/dbraw/zinc/18/77/75/775187775.db2.gz JZTAHNBFJIRVKP-RQJHMYQMSA-N 0 3 267.289 -1.236 20 0 CAADHN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)NCC(N)=O ZINC001266960689 775188297 /nfs/dbraw/zinc/18/82/97/775188297.db2.gz DUOGWQQTXMKNRA-ZCFIWIBFSA-N 0 3 255.278 -1.681 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCNC1=O)NCC(=O)NCC1CC1 ZINC001266962111 775188324 /nfs/dbraw/zinc/18/83/24/775188324.db2.gz OAQFPMWRQABCKU-MWLCHTKSSA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001266946539 775188353 /nfs/dbraw/zinc/18/83/53/775188353.db2.gz PVNIAWNKOJCWDE-SSDOTTSWSA-N 0 3 267.289 -1.364 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)c1cn[nH]c(=O)c1 ZINC001266946540 775188426 /nfs/dbraw/zinc/18/84/26/775188426.db2.gz PVNIAWNKOJCWDE-ZETCQYMHSA-N 0 3 267.289 -1.364 20 0 CAADHN CCNC(=O)CN[C@H](C)CNC(=O)[C@@]1(C)CCNC1=O ZINC001266970756 775189034 /nfs/dbraw/zinc/18/90/34/775189034.db2.gz GHGCDMIFPBTLDM-RNCFNFMXSA-N 0 3 284.360 -1.257 20 0 CAADHN Cc1ncc(C(=O)NC[C@@H](C)NCC(N)=O)n1C ZINC001266963485 775189988 /nfs/dbraw/zinc/18/99/88/775189988.db2.gz AYQVFYUAZKUKCY-SSDOTTSWSA-N 0 3 253.306 -1.078 20 0 CAADHN CCNC(=O)CN[C@@H](C)CNC(=O)[C@]1(C)CCNC1=O ZINC001266970757 775190250 /nfs/dbraw/zinc/19/02/50/775190250.db2.gz GHGCDMIFPBTLDM-TVQRCGJNSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNC(=O)CCc1cnn(C)n1)NCC(N)=O ZINC001266972047 775191365 /nfs/dbraw/zinc/19/13/65/775191365.db2.gz SYCBILBXVUFXJS-QMMMGPOBSA-N 0 3 268.321 -1.673 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)NCC(=O)N(C)C ZINC001266991759 775191554 /nfs/dbraw/zinc/19/15/54/775191554.db2.gz RCEHJPXLLLFYBD-SECBINFHSA-N 0 3 268.321 -1.539 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)N[C@H]1CCC(=O)NC1=O ZINC001266978928 775191571 /nfs/dbraw/zinc/19/15/71/775191571.db2.gz WKRPZVOYBPXZEE-YUMQZZPRSA-N 0 3 294.315 -1.672 20 0 CAADHN CC[C@H](N[C@@H](C)CNC(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001266991998 775191953 /nfs/dbraw/zinc/19/19/53/775191953.db2.gz XGAWAWVIYNFRGP-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN NC(=O)CN[C@H]1CCN(C(=O)CNC(=O)C2CC2)C1 ZINC001267004220 775192942 /nfs/dbraw/zinc/19/29/42/775192942.db2.gz FOXAOZRZYKZXGY-VIFPVBQESA-N 0 3 268.317 -1.812 20 0 CAADHN Cc1nonc1C(=O)NC[C@H](C)N[C@@H]1CCNC1=O ZINC001266996398 775192965 /nfs/dbraw/zinc/19/29/65/775192965.db2.gz OZYABYSTSJEZCU-POYBYMJQSA-N 0 3 267.289 -1.026 20 0 CAADHN C[C@@H](CNC(=O)C[C@H]1CC(=O)NC1=O)NCC(N)=O ZINC001266999009 775193304 /nfs/dbraw/zinc/19/33/04/775193304.db2.gz RDLHLIKTWWEZAD-BQBZGAKWSA-N 0 3 270.289 -2.381 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)NCC(N)=O ZINC001266994730 775193397 /nfs/dbraw/zinc/19/33/97/775193397.db2.gz OTXUQKHWLNDCNX-SSDOTTSWSA-N 0 3 269.305 -2.083 20 0 CAADHN CCN(CC)C(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001267007997 775193463 /nfs/dbraw/zinc/19/34/63/775193463.db2.gz XQTALJCOZUAMAD-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)c1ccn(C)n1 ZINC001266993613 775193574 /nfs/dbraw/zinc/19/35/74/775193574.db2.gz OLXWQAFYDGTKIJ-MRVPVSSYSA-N 0 3 253.306 -1.126 20 0 CAADHN Cc1nonc1C(=O)NC[C@@H](C)N[C@H]1CCNC1=O ZINC001266996399 775193748 /nfs/dbraw/zinc/19/37/48/775193748.db2.gz OZYABYSTSJEZCU-SVRRBLITSA-N 0 3 267.289 -1.026 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H](C(=O)NCCNCCF)C1 ZINC001267002968 775193922 /nfs/dbraw/zinc/19/39/22/775193922.db2.gz WZNMAIOOLOYBGQ-SECBINFHSA-N 0 3 288.323 -1.614 20 0 CAADHN C[C@@H](CNC(=O)CCc1cnn(C)c1)NCC(N)=O ZINC001266994102 775193979 /nfs/dbraw/zinc/19/39/79/775193979.db2.gz JGXKYAMQUVWUJT-VIFPVBQESA-N 0 3 267.333 -1.068 20 0 CAADHN C[C@H](CNC(=O)Cn1cncn1)N[C@H]1CCC(=O)NC1=O ZINC001266991597 775194183 /nfs/dbraw/zinc/19/41/83/775194183.db2.gz NOVHCXNXDCYFCL-BDAKNGLRSA-N 0 3 294.315 -1.822 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O)n[nH]1 ZINC001125561536 775194919 /nfs/dbraw/zinc/19/49/19/775194919.db2.gz FAFQPLORNAAVKD-QMMMGPOBSA-N 0 3 296.331 -1.450 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[nH]n1 ZINC001125561536 775194929 /nfs/dbraw/zinc/19/49/29/775194929.db2.gz FAFQPLORNAAVKD-QMMMGPOBSA-N 0 3 296.331 -1.450 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001267016405 775195332 /nfs/dbraw/zinc/19/53/32/775195332.db2.gz SJXLRCCEGJVBKR-JTQLQIEISA-N 0 3 296.371 -1.033 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCCC(=O)N1C ZINC001267019745 775195777 /nfs/dbraw/zinc/19/57/77/775195777.db2.gz GPFXYLJOGUMTDJ-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CC[C@@H](NCCN(C)C(=O)CN1C(=O)CCC1=O)C(N)=O ZINC001267051990 775198452 /nfs/dbraw/zinc/19/84/52/775198452.db2.gz YUILXKMDUCORCM-SECBINFHSA-N 0 3 298.343 -1.553 20 0 CAADHN CNC(=O)[C@H](C)NCCN(C)C(=O)CN1C(=O)CCC1=O ZINC001267051596 775198679 /nfs/dbraw/zinc/19/86/79/775198679.db2.gz QHSZDSLTOWQHAN-VIFPVBQESA-N 0 3 298.343 -1.682 20 0 CAADHN CC[C@H](NCCN(C)C(=O)CN1C(=O)CCC1=O)C(N)=O ZINC001267051992 775198798 /nfs/dbraw/zinc/19/87/98/775198798.db2.gz YUILXKMDUCORCM-VIFPVBQESA-N 0 3 298.343 -1.553 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207268075 775200250 /nfs/dbraw/zinc/20/02/50/775200250.db2.gz RCRHLCQJPFSGGO-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CN[C@@H]2CCCNC2=O)C1 ZINC001087207180 775201067 /nfs/dbraw/zinc/20/10/67/775201067.db2.gz TUDFBHVDXJNAKS-OUAUKWLOSA-N 0 3 296.371 -1.033 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)c1cn(C)c(=O)n1C ZINC001267121744 775204142 /nfs/dbraw/zinc/20/41/42/775204142.db2.gz LWZCCRXRKALEHC-UHFFFAOYSA-N 0 3 297.359 -1.479 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125615340 775204997 /nfs/dbraw/zinc/20/49/97/775204997.db2.gz HGCGFPGYMHJSNG-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NCCN(C)C(=O)C[C@H]1CC(=O)NC1=O)C(N)=O ZINC001267158777 775205339 /nfs/dbraw/zinc/20/53/39/775205339.db2.gz JUZRRAUPZZTJMS-HTQZYQBOSA-N 0 3 284.316 -2.039 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125615314 775205591 /nfs/dbraw/zinc/20/55/91/775205591.db2.gz GBQOZDHBZIRZLV-VIFPVBQESA-N 0 3 270.333 -1.646 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC(=O)C1)N1CCCC1 ZINC001125615373 775205719 /nfs/dbraw/zinc/20/57/19/775205719.db2.gz IJYZNQYEWFEXAL-LLVKDONJSA-N 0 3 296.371 -1.159 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc[nH]c(=O)c1)C(N)=O ZINC001125606354 775205776 /nfs/dbraw/zinc/20/57/76/775205776.db2.gz YPOKRYZGWBHJRW-SSDOTTSWSA-N 0 3 252.274 -1.020 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CCNC(=O)C1)C1CC1 ZINC001125615309 775205999 /nfs/dbraw/zinc/20/59/99/775205999.db2.gz FYLAUKQIXYDHRK-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125615201 775206031 /nfs/dbraw/zinc/20/60/31/775206031.db2.gz BLNSQNOTEJUKKH-QMMMGPOBSA-N 0 3 299.331 -2.326 20 0 CAADHN C[C@H](NCCN(C)C(=O)C[C@@H]1CC(=O)NC1=O)C(N)=O ZINC001267158780 775206098 /nfs/dbraw/zinc/20/60/98/775206098.db2.gz JUZRRAUPZZTJMS-YUMQZZPRSA-N 0 3 284.316 -2.039 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC(=O)C1)N1CCCC1 ZINC001125615374 775206122 /nfs/dbraw/zinc/20/61/22/775206122.db2.gz IJYZNQYEWFEXAL-NSHDSACASA-N 0 3 296.371 -1.159 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125615160 775206516 /nfs/dbraw/zinc/20/65/16/775206516.db2.gz AFJYWNHMOFDGTO-JTQLQIEISA-N 0 3 284.360 -1.255 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC(=O)C1)NC1CC1 ZINC001125615833 775207075 /nfs/dbraw/zinc/20/70/75/775207075.db2.gz UQQHMDUNRWZEBD-SECBINFHSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCNC(=O)C1)C(=O)NC1CC1 ZINC001125624376 775207265 /nfs/dbraw/zinc/20/72/65/775207265.db2.gz AAAMOPOEYCELIP-UWVGGRQHSA-N 0 3 296.371 -1.115 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125615815 775207940 /nfs/dbraw/zinc/20/79/40/775207940.db2.gz UHXQTQHOKUNCAB-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc[nH]c(=O)c1)C(=O)NC(N)=O ZINC001125620188 775208082 /nfs/dbraw/zinc/20/80/82/775208082.db2.gz SNSHDFHDFYHMGJ-SSDOTTSWSA-N 0 3 295.299 -1.310 20 0 CAADHN O=S(=O)(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CNC1 ZINC000724601804 775208157 /nfs/dbraw/zinc/20/81/57/775208157.db2.gz ZTYNPCMLUZZHGT-WEDXCCLWSA-N 0 3 262.331 -1.319 20 0 CAADHN C[C@H](NCCNC(=O)c1cc[nH]c(=O)c1)C(=O)NC(N)=O ZINC001125620190 775208466 /nfs/dbraw/zinc/20/84/66/775208466.db2.gz SNSHDFHDFYHMGJ-ZETCQYMHSA-N 0 3 295.299 -1.310 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC(=O)C1)NCC1CC1 ZINC001125616120 775208624 /nfs/dbraw/zinc/20/86/24/775208624.db2.gz ZZROVIXIYHNABI-LLVKDONJSA-N 0 3 296.371 -1.255 20 0 CAADHN NC(=O)CN1CCC[C@@H]1CCCNC(=O)C(N)=O ZINC001267175893 775208884 /nfs/dbraw/zinc/20/88/84/775208884.db2.gz VLITUWAWVYALGL-QMMMGPOBSA-N 0 3 256.306 -1.682 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125630078 775209908 /nfs/dbraw/zinc/20/99/08/775209908.db2.gz CLEUYDJGOUTPKJ-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@H]2CCNC(=O)C2)C1=O ZINC001125631051 775210097 /nfs/dbraw/zinc/21/00/97/775210097.db2.gz RFAHDIBGOXGLDC-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1CCNC(=O)C1 ZINC001125631060 775210215 /nfs/dbraw/zinc/21/02/15/775210215.db2.gz RJIRILKHOPXIFX-RKDXNWHRSA-N 0 3 296.327 -1.976 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CCNC(=O)C1 ZINC001125630740 775210275 /nfs/dbraw/zinc/21/02/75/775210275.db2.gz LUKPJBSTAIYVEX-VHSXEESVSA-N 0 3 282.344 -1.503 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1=CCCC1 ZINC001125630983 775210422 /nfs/dbraw/zinc/21/04/22/775210422.db2.gz QLRIJCKSGIOBMA-UHFFFAOYSA-N 0 3 254.290 -1.003 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2CCNC(=O)C2)C1=O ZINC001125629906 775210819 /nfs/dbraw/zinc/21/08/19/775210819.db2.gz BBSGLGSXHQZMEQ-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CCNC(=O)C1 ZINC001125630745 775210943 /nfs/dbraw/zinc/21/09/43/775210943.db2.gz LUNXMJUSJWPKFO-RKDXNWHRSA-N 0 3 268.317 -1.893 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCNC(=O)C1 ZINC001125630079 775211442 /nfs/dbraw/zinc/21/14/42/775211442.db2.gz CLEUYDJGOUTPKJ-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCNC(=O)C2)C1=O ZINC001125637053 775212318 /nfs/dbraw/zinc/21/23/18/775212318.db2.gz CFWJZKRGTXTEQO-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCNC(=O)C1)C(=O)N(C)C ZINC001125637056 775213461 /nfs/dbraw/zinc/21/34/61/775213461.db2.gz CHQJCQDBYZFNJW-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCNC(=O)C1)C(=O)N(C)C ZINC001125637057 775213702 /nfs/dbraw/zinc/21/37/02/775213702.db2.gz CHQJCQDBYZFNJW-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1CCNC(=O)C1 ZINC001125637007 775214008 /nfs/dbraw/zinc/21/40/08/775214008.db2.gz ABQRBAWGSUMASK-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN CCOCCN(C)CCNC(=O)[C@@H]1CNC(=O)N1 ZINC001267214161 775214661 /nfs/dbraw/zinc/21/46/61/775214661.db2.gz MZEYUEAKTYFYAB-VIFPVBQESA-N 0 3 258.322 -1.248 20 0 CAADHN COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCN(C)C1=O ZINC001267211888 775215898 /nfs/dbraw/zinc/21/58/98/775215898.db2.gz VJEYOZCKKXTHEJ-QWRGUYRKSA-N 0 3 287.360 -1.480 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccn(C)c1 ZINC001125663708 775220444 /nfs/dbraw/zinc/22/04/44/775220444.db2.gz SZAXMSFMSVDQLV-UHFFFAOYSA-N 0 3 281.316 -1.200 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H]1CCCN1CCO ZINC001267261356 775220486 /nfs/dbraw/zinc/22/04/86/775220486.db2.gz UGDGPZVMADXUIA-VIFPVBQESA-N 0 3 259.306 -1.085 20 0 CAADHN CCN(CCNC(=O)c1ncn[nH]1)[C@H](C)C(N)=O ZINC001267252814 775221347 /nfs/dbraw/zinc/22/13/47/775221347.db2.gz ALBHRCHUGZMLAZ-SSDOTTSWSA-N 0 3 254.294 -1.270 20 0 CAADHN CCN(CCNC(=O)c1nc[nH]n1)[C@H](C)C(N)=O ZINC001267252814 775221356 /nfs/dbraw/zinc/22/13/56/775221356.db2.gz ALBHRCHUGZMLAZ-SSDOTTSWSA-N 0 3 254.294 -1.270 20 0 CAADHN NC(=O)CC(=O)NC[C@H]1CCCN1CCn1cncn1 ZINC001267262857 775221835 /nfs/dbraw/zinc/22/18/35/775221835.db2.gz DGOPHYFIWPWOIP-SNVBAGLBSA-N 0 3 280.332 -1.266 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1cn(C)cn1 ZINC001125680462 775222624 /nfs/dbraw/zinc/22/26/24/775222624.db2.gz BCPUKXLBYAMJKD-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN O=C(NC[C@@H]1CCCN1CCOCCO)[C@H]1CCNC1=O ZINC001267271916 775222861 /nfs/dbraw/zinc/22/28/61/775222861.db2.gz FPKNNSILYFTIBZ-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)cn1)C(=O)NC(N)=O ZINC001125671749 775223013 /nfs/dbraw/zinc/22/30/13/775223013.db2.gz XHWMIHACUHCHLV-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(=O)NC(N)=O)c1 ZINC001125680860 775223244 /nfs/dbraw/zinc/22/32/44/775223244.db2.gz JZFYLPHUYIWWMI-UHFFFAOYSA-N 0 3 268.277 -2.066 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(=O)N2CCC2)c1 ZINC001125675780 775223426 /nfs/dbraw/zinc/22/34/26/775223426.db2.gz GPKVBXZTNCTDAF-UHFFFAOYSA-N 0 3 265.317 -1.028 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cn(C)cn1 ZINC001125680421 775223847 /nfs/dbraw/zinc/22/38/47/775223847.db2.gz APAYQIDDOCCQFZ-UHFFFAOYSA-N 0 3 253.306 -1.124 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cn(C)cn1 ZINC001125671257 775223667 /nfs/dbraw/zinc/22/36/67/775223667.db2.gz LVAZADOUZKSUNT-MRVPVSSYSA-N 0 3 296.331 -1.416 20 0 CAADHN COC[C@H](O)CN1CCC[C@@H]1CNC(=O)C(N)=O ZINC001267273985 775223736 /nfs/dbraw/zinc/22/37/36/775223736.db2.gz JCCDYQQDIPOMGZ-RKDXNWHRSA-N 0 3 259.306 -1.940 20 0 CAADHN O=C(C[C@@H]1COC(=O)C1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001125688702 775224936 /nfs/dbraw/zinc/22/49/36/775224936.db2.gz XQRIBTZHRQXCCJ-DTWKUNHWSA-N 0 3 297.311 -1.549 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@H]1COC(=O)C1 ZINC001125688007 775225332 /nfs/dbraw/zinc/22/53/32/775225332.db2.gz PFLVVGCGBDQUDY-SSDOTTSWSA-N 0 3 286.288 -2.160 20 0 CAADHN CN(C(=O)[C@H]1CCCNC1=O)[C@H](CNCC(N)=O)C1CC1 ZINC001283506772 775225594 /nfs/dbraw/zinc/22/55/94/775225594.db2.gz JAFDDSGCFPRUAF-WDEREUQCSA-N 0 3 296.371 -1.176 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@H]1COC(=O)C1 ZINC001125687435 775225890 /nfs/dbraw/zinc/22/58/90/775225890.db2.gz CKRYDQFXXCBGPH-SECBINFHSA-N 0 3 271.317 -1.266 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@@H]1COC(=O)C1 ZINC001125688008 775226066 /nfs/dbraw/zinc/22/60/66/775226066.db2.gz PFLVVGCGBDQUDY-ZETCQYMHSA-N 0 3 286.288 -2.160 20 0 CAADHN COCCN(CCOC)S(=O)(=O)C1CNC1 ZINC000405120123 775226867 /nfs/dbraw/zinc/22/68/67/775226867.db2.gz HWBWLSXQNSEZKZ-UHFFFAOYSA-N 0 3 252.336 -1.117 20 0 CAADHN CN(C(=O)[C@H]1CCNC1=O)[C@H](CNCC(N)=O)C1CC1 ZINC001283522646 775227067 /nfs/dbraw/zinc/22/70/67/775227067.db2.gz ZDYZWHHIHUZHBO-VHSXEESVSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1COC(=O)C1)C(N)=O ZINC001125688786 775227447 /nfs/dbraw/zinc/22/74/47/775227447.db2.gz ZXNAPJCIILWNAC-SFYZADRCSA-N 0 3 257.290 -1.481 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1COC(=O)C1)C(N)=O ZINC001125688787 775227499 /nfs/dbraw/zinc/22/74/99/775227499.db2.gz ZXNAPJCIILWNAC-YUMQZZPRSA-N 0 3 257.290 -1.481 20 0 CAADHN O=C1CC[C@H]2CN(S(=O)(=O)C3CNC3)CC[C@H]2N1 ZINC000405123987 775227636 /nfs/dbraw/zinc/22/76/36/775227636.db2.gz COUURHYOYYIUJQ-WCBMZHEXSA-N 0 3 273.358 -1.112 20 0 CAADHN O=C(C[C@H]1COC(=O)C1)NCCN[C@H]1CCC(=O)NC1=O ZINC001125688501 775227749 /nfs/dbraw/zinc/22/77/49/775227749.db2.gz XQRIBTZHRQXCCJ-BDAKNGLRSA-N 0 3 297.311 -1.549 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@@H]2COC(=O)C2)C1=O ZINC001125695770 775229844 /nfs/dbraw/zinc/22/98/44/775229844.db2.gz PEIIUHARLQPOSD-UWVGGRQHSA-N 0 3 283.328 -1.124 20 0 CAADHN COC[C@H](O)CN(CCNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001267330594 775230361 /nfs/dbraw/zinc/23/03/61/775230361.db2.gz FJHGMZSHZGOLSN-VXGBXAGGSA-N 0 3 299.371 -1.290 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@@H]1COC(=O)C1)C(N)=O ZINC001125697040 775230758 /nfs/dbraw/zinc/23/07/58/775230758.db2.gz YFDFJLLKEZBHFW-IUCAKERBSA-N 0 3 271.317 -1.091 20 0 CAADHN CNC(=O)NC(=O)CNCCN(C)C(=O)c1ccon1 ZINC001267350430 775231844 /nfs/dbraw/zinc/23/18/44/775231844.db2.gz VAAYIFRJXZZXKN-UHFFFAOYSA-N 0 3 283.288 -1.208 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1cccn1)C(N)=O ZINC001267347004 775231873 /nfs/dbraw/zinc/23/18/73/775231873.db2.gz GRRXQNBETKYOIH-SECBINFHSA-N 0 3 253.306 -1.195 20 0 CAADHN CCc1cc(C(=O)N(C)CCNCC(=O)NC(N)=O)[nH]n1 ZINC001267347725 775231930 /nfs/dbraw/zinc/23/19/30/775231930.db2.gz JBVTUBIVBPYAOS-UHFFFAOYSA-N 0 3 296.331 -1.171 20 0 CAADHN CC(=O)NCC(=O)N(C)CCNCCNS(C)(=O)=O ZINC001267341681 775232116 /nfs/dbraw/zinc/23/21/16/775232116.db2.gz WHTUSUIDLRJMGB-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN O=C(CNCCN(CCO)C(=O)c1cn[nH]c1)NC1CC1 ZINC001279660783 775232133 /nfs/dbraw/zinc/23/21/33/775232133.db2.gz QGKRGSZAYPYDAJ-UHFFFAOYSA-N 0 3 295.343 -1.288 20 0 CAADHN CCCNC(=O)CNCCN(C)C(=O)[C@H]1COCCO1 ZINC001267348103 775232142 /nfs/dbraw/zinc/23/21/42/775232142.db2.gz UYQLUGPTSHZZDQ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@@H](C(=O)N(CCO)CCNCC(N)=O)n1cccn1 ZINC001279660176 775233030 /nfs/dbraw/zinc/23/30/30/775233030.db2.gz GCSAAFDDZGWNQF-JTQLQIEISA-N 0 3 283.332 -1.660 20 0 CAADHN CO[C@H](C(=O)N(C)CCNCC(=O)NC(N)=O)C1CC1 ZINC001267366673 775234007 /nfs/dbraw/zinc/23/40/07/775234007.db2.gz LFAQYMUBSAFQFT-JTQLQIEISA-N 0 3 286.332 -1.346 20 0 CAADHN CN(CCNCC(=O)NC(N)=O)C(=O)c1cccc(=O)[nH]1 ZINC001267359303 775234259 /nfs/dbraw/zinc/23/42/59/775234259.db2.gz GYWIXJFYUCGJJU-UHFFFAOYSA-N 0 3 295.299 -1.356 20 0 CAADHN CCNC(=O)CC(=O)N(C)CCN[C@@H](CC)C(N)=O ZINC001267363978 775234343 /nfs/dbraw/zinc/23/43/43/775234343.db2.gz PLHBIWWJQWJYGT-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CN(CCNCCNS(C)(=O)=O)C(=O)CC(C)(C)O ZINC001267366939 775234611 /nfs/dbraw/zinc/23/46/11/775234611.db2.gz PXVJGLBQGXKFDF-UHFFFAOYSA-N 0 3 295.405 -1.255 20 0 CAADHN CC(C)NC(=O)CNCCN(C)C(=O)[C@H](C)NC(N)=O ZINC001267365551 775234770 /nfs/dbraw/zinc/23/47/70/775234770.db2.gz AZKHHKCOHHBGBY-VIFPVBQESA-N 0 3 287.364 -1.384 20 0 CAADHN CN(CCNCC(=O)N(C)C1CC1)C(=O)CC(N)=O ZINC001267358655 775235052 /nfs/dbraw/zinc/23/50/52/775235052.db2.gz JBWVPUJFZMBNJQ-UHFFFAOYSA-N 0 3 270.333 -1.469 20 0 CAADHN CC(C)NC(=O)CNCCN(C)C(=O)CC(N)=O ZINC001267358860 775235302 /nfs/dbraw/zinc/23/53/02/775235302.db2.gz QOWWBTSKFQPLNK-UHFFFAOYSA-N 0 3 258.322 -1.566 20 0 CAADHN CCNC(=O)CC(=O)N(C)CCN[C@H](C)C(=O)NC ZINC001267363799 775235449 /nfs/dbraw/zinc/23/54/49/775235449.db2.gz KIDNGQCOLJIFIA-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN Cc1occc1C(=O)NCC(=O)N(C)CCNCC(N)=O ZINC001267377516 775236061 /nfs/dbraw/zinc/23/60/61/775236061.db2.gz YRZBBKGSBLIZFP-UHFFFAOYSA-N 0 3 296.327 -1.149 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCCO1 ZINC001125718889 775236379 /nfs/dbraw/zinc/23/63/79/775236379.db2.gz VIFZRHSMPYRCAE-SECBINFHSA-N 0 3 286.332 -1.283 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1cccnc1 ZINC001125705972 775237043 /nfs/dbraw/zinc/23/70/43/775237043.db2.gz UTSOQHYCBIIROX-UHFFFAOYSA-N 0 3 279.300 -1.475 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)CO[C@@H]1CCOC1 ZINC001267372520 775237353 /nfs/dbraw/zinc/23/73/53/775237353.db2.gz SXQHRGZIMTZGAW-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CCOC[C@H](O)CNCCS(=O)(=O)N1CCOCC1 ZINC000382298493 775237609 /nfs/dbraw/zinc/23/76/09/775237609.db2.gz WWAXYHWQJRTULD-LLVKDONJSA-N 0 3 296.389 -1.365 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCCO1)C(=O)NC(N)=O ZINC001125729398 775238602 /nfs/dbraw/zinc/23/86/02/775238602.db2.gz YXPNQTGSAYJWDQ-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCCO1)C(=O)NC(N)=O ZINC001125729396 775238670 /nfs/dbraw/zinc/23/86/70/775238670.db2.gz YXPNQTGSAYJWDQ-DTWKUNHWSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCCO1)C(=O)NC(N)=O ZINC001125729395 775238947 /nfs/dbraw/zinc/23/89/47/775238947.db2.gz YXPNQTGSAYJWDQ-BDAKNGLRSA-N 0 3 286.332 -1.155 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCCO1 ZINC001125719341 775239081 /nfs/dbraw/zinc/23/90/81/775239081.db2.gz ZYEYKBKUDQVMGP-QMMMGPOBSA-N 0 3 272.305 -1.544 20 0 CAADHN CN(CCN[C@@H]1CCCNC1=O)C(=O)C(C)(C)C(N)=O ZINC001267385674 775239356 /nfs/dbraw/zinc/23/93/56/775239356.db2.gz CKIRMLKUBTUVQK-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001267391100 775240759 /nfs/dbraw/zinc/24/07/59/775240759.db2.gz AVACAWKGQWVVGO-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001267412722 775240847 /nfs/dbraw/zinc/24/08/47/775240847.db2.gz QMTSOGGCHXQRSJ-IUCAKERBSA-N 0 3 270.333 -1.708 20 0 CAADHN CN(CCNCC(N)=O)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001267399992 775240869 /nfs/dbraw/zinc/24/08/69/775240869.db2.gz WUIKKVUOOKHWBV-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)CCNCC(=O)N(C)C ZINC001267412922 775240892 /nfs/dbraw/zinc/24/08/92/775240892.db2.gz UKJCBJCNOFEFSA-SECBINFHSA-N 0 3 272.349 -1.366 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(C)ncn1 ZINC001125761145 775240984 /nfs/dbraw/zinc/24/09/84/775240984.db2.gz GJSWGLHDECLVKM-UHFFFAOYSA-N 0 3 251.290 -1.150 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)COCc1ccnn1C ZINC001267388640 775241483 /nfs/dbraw/zinc/24/14/83/775241483.db2.gz PNHWXQFNNXUQAI-UHFFFAOYSA-N 0 3 297.359 -1.269 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001267398523 775241528 /nfs/dbraw/zinc/24/15/28/775241528.db2.gz OUBOJLNKJAFOEP-SNVBAGLBSA-N 0 3 299.375 -1.429 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C(=O)C(C)(C)C)C(N)=O ZINC001279672134 775241653 /nfs/dbraw/zinc/24/16/53/775241653.db2.gz CYRYMZNSPVYDPB-SECBINFHSA-N 0 3 287.360 -1.114 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)c1cn[nH]n1 ZINC001267395740 775241887 /nfs/dbraw/zinc/24/18/87/775241887.db2.gz ZPXKGRNHRRDUKR-UHFFFAOYSA-N 0 3 254.294 -1.446 20 0 CAADHN CN(CCNCC(=O)NCC1CC1)C(=O)[C@H]1CNC(=O)N1 ZINC001267420651 775242765 /nfs/dbraw/zinc/24/27/65/775242765.db2.gz FHDJFHGEHJVYRU-SNVBAGLBSA-N 0 3 297.359 -1.758 20 0 CAADHN CC[C@H](NCCN(C)C(=O)[C@H]1CCN(C)C1=O)C(N)=O ZINC001267417225 775242992 /nfs/dbraw/zinc/24/29/92/775242992.db2.gz RWXGBPHEAOYWRV-UWVGGRQHSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)NC(=O)CNCCN(C)C(=O)c1nnn(C)n1 ZINC001267415494 775243037 /nfs/dbraw/zinc/24/30/37/775243037.db2.gz MBIUAUHAZWYIPH-UHFFFAOYSA-N 0 3 283.336 -1.604 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)C1(C(N)=O)CC1 ZINC001267421729 775243114 /nfs/dbraw/zinc/24/31/14/775243114.db2.gz NKWSEIJTKVDGED-UHFFFAOYSA-N 0 3 270.333 -1.612 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cn(C)c(=O)[nH]1 ZINC001267424448 775243301 /nfs/dbraw/zinc/24/33/01/775243301.db2.gz PJECDHFPUQAGMT-UHFFFAOYSA-N 0 3 255.278 -1.727 20 0 CAADHN CCNC(=O)CNCCN(C)C(=O)CCc1cnn(C)n1 ZINC001267429029 775243669 /nfs/dbraw/zinc/24/36/69/775243669.db2.gz LOFXHGCJWTUPOA-UHFFFAOYSA-N 0 3 296.375 -1.068 20 0 CAADHN CNS(=O)(=O)NCC(=O)N(C)CCNCCF ZINC001267408564 775243786 /nfs/dbraw/zinc/24/37/86/775243786.db2.gz IZRVJTFUUJVNKX-UHFFFAOYSA-N 0 3 270.330 -1.942 20 0 CAADHN CN(CCNCC(=O)NC1CC1)C(=O)[C@@H]1CNC(=O)N1 ZINC001267420531 775244085 /nfs/dbraw/zinc/24/40/85/775244085.db2.gz BOLAVVAVQCIXEL-VIFPVBQESA-N 0 3 283.332 -2.006 20 0 CAADHN CN(CCN[C@H]1CCN(C)C1=O)C(=O)c1nc[nH]n1 ZINC001267441452 775244679 /nfs/dbraw/zinc/24/46/79/775244679.db2.gz BCHANYSBPVDMCS-QMMMGPOBSA-N 0 3 266.305 -1.303 20 0 CAADHN CC[NH2+]Cc1cc(=O)[n-]c(CNC(=O)c2nnn(C)n2)n1 ZINC001087259577 775245071 /nfs/dbraw/zinc/24/50/71/775245071.db2.gz VEYZMIBCHYVRSX-UHFFFAOYSA-N 0 3 292.303 -1.255 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cn1nnnc1C(C)C ZINC001267438816 775245699 /nfs/dbraw/zinc/24/56/99/775245699.db2.gz UYLJLSTVBNSWCZ-UHFFFAOYSA-N 0 3 297.363 -1.410 20 0 CAADHN C[C@H]1OCC[C@@H]1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001267445516 775245810 /nfs/dbraw/zinc/24/58/10/775245810.db2.gz CEVQZZXSAJFXSY-BDAKNGLRSA-N 0 3 286.332 -1.346 20 0 CAADHN CN(CCNCC(N)=O)C(=O)[C@H]1CCCCN1C(N)=O ZINC001267454194 775245823 /nfs/dbraw/zinc/24/58/23/775245823.db2.gz APEFHTUVEDRCOM-SECBINFHSA-N 0 3 285.348 -1.547 20 0 CAADHN CCN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001267457279 775245909 /nfs/dbraw/zinc/24/59/09/775245909.db2.gz FVBAYHVLUUIZFU-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N(C)CCNCC(N)=O ZINC001267432959 775245974 /nfs/dbraw/zinc/24/59/74/775245974.db2.gz JBKZEYHSROIFSA-ZETCQYMHSA-N 0 3 280.350 -2.543 20 0 CAADHN C[C@H]1OCC[C@H]1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001267445519 775246001 /nfs/dbraw/zinc/24/60/01/775246001.db2.gz CEVQZZXSAJFXSY-RKDXNWHRSA-N 0 3 286.332 -1.346 20 0 CAADHN CNC(=O)C1(C(=O)N(C)CCN[C@H](C)C(N)=O)CCC1 ZINC001267458174 775246618 /nfs/dbraw/zinc/24/66/18/775246618.db2.gz BIAMPWMJJQNYPN-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)Cn1cncn1 ZINC001267465210 775246840 /nfs/dbraw/zinc/24/68/40/775246840.db2.gz FITLRAKFXBHDRD-UHFFFAOYSA-N 0 3 254.294 -1.928 20 0 CAADHN CNC(=O)C[NH2+]CC1(CCNC(=O)Cc2nnc[n-]2)CC1 ZINC001167684626 775247506 /nfs/dbraw/zinc/24/75/06/775247506.db2.gz FGFOBXNOFVFDPQ-UHFFFAOYSA-N 0 3 294.359 -1.031 20 0 CAADHN C[C@H](NCCN(C)C(=O)CN1C(=O)CNC1=O)C(N)=O ZINC001267466921 775247550 /nfs/dbraw/zinc/24/75/50/775247550.db2.gz VYUXAFKZVHRFFM-ZETCQYMHSA-N 0 3 285.304 -2.540 20 0 CAADHN CN(C)C(=O)CNCCN(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001267477733 775248761 /nfs/dbraw/zinc/24/87/61/775248761.db2.gz JSPCCOUHNAGMAA-JTQLQIEISA-N 0 3 299.375 -1.334 20 0 CAADHN CN(CCNCC(N)=O)C(=O)c1cc(C(N)=O)ccn1 ZINC001267480483 775249230 /nfs/dbraw/zinc/24/92/30/775249230.db2.gz JRCMFBHRDOPMEM-UHFFFAOYSA-N 0 3 279.300 -1.673 20 0 CAADHN CNC(=O)CNCCN(C)C(=O)c1ccn(C)n1 ZINC001267470315 775249264 /nfs/dbraw/zinc/24/92/64/775249264.db2.gz USRTXQOPKKFFKM-UHFFFAOYSA-N 0 3 253.306 -1.172 20 0 CAADHN C[C@@H](NCCN(C)C(=O)CN1C(=O)CN(C)C1=O)C(N)=O ZINC001267467085 775249587 /nfs/dbraw/zinc/24/95/87/775249587.db2.gz XVLACDAJKSFGJK-MRVPVSSYSA-N 0 3 299.331 -2.198 20 0 CAADHN CN(CCN[C@@H]1CCNC1=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001267478586 775249619 /nfs/dbraw/zinc/24/96/19/775249619.db2.gz SXIMWJHGVDZRIA-DTWKUNHWSA-N 0 3 296.327 -2.024 20 0 CAADHN CN(CCNCc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267469988 775249701 /nfs/dbraw/zinc/24/97/01/775249701.db2.gz RTHRVBBIILTZQQ-SNVBAGLBSA-N 0 3 296.375 -1.392 20 0 CAADHN CN(CCNCc1nc(=O)n(C)[n-]1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267469988 775249704 /nfs/dbraw/zinc/24/97/04/775249704.db2.gz RTHRVBBIILTZQQ-SNVBAGLBSA-N 0 3 296.375 -1.392 20 0 CAADHN C[C@@H](NCCN(C)C(=O)Cn1ccnc1)C(N)=O ZINC001267479401 775249902 /nfs/dbraw/zinc/24/99/02/775249902.db2.gz UCZBJXAHQQCWIJ-SECBINFHSA-N 0 3 253.306 -1.195 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H](C)C(N)=O)ncn1 ZINC001125793307 775250063 /nfs/dbraw/zinc/25/00/63/775250063.db2.gz WMHCQRWYJHOMER-QMMMGPOBSA-N 0 3 251.290 -1.022 20 0 CAADHN CC(C)N(CCCNC(=O)CC(N)=O)CC(N)=O ZINC001267499440 775251224 /nfs/dbraw/zinc/25/12/24/775251224.db2.gz WJHZIPJOSDBTGU-UHFFFAOYSA-N 0 3 258.322 -1.436 20 0 CAADHN CCN1CC(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001267697981 775288042 /nfs/dbraw/zinc/28/80/42/775288042.db2.gz UCHDFXVQNQUNPR-UHFFFAOYSA-N 0 3 263.363 -1.054 20 0 CAADHN CNC(=O)CN(CCCNC(=O)C(N)=O)C(C)C ZINC001267507152 775252295 /nfs/dbraw/zinc/25/22/95/775252295.db2.gz GDSSSZAEFOEQIV-UHFFFAOYSA-N 0 3 258.322 -1.566 20 0 CAADHN CC(C)N(CCCNC(=O)C1(C(N)=O)CC1)CC(N)=O ZINC001267508107 775252318 /nfs/dbraw/zinc/25/23/18/775252318.db2.gz RIRKWINQAGECBS-UHFFFAOYSA-N 0 3 284.360 -1.046 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)ncn1 ZINC001125805795 775254012 /nfs/dbraw/zinc/25/40/12/775254012.db2.gz GTMLXVBKTHYURJ-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)c1ncn(C)n1 ZINC001279704379 775254080 /nfs/dbraw/zinc/25/40/80/775254080.db2.gz AFKIASKRHPOIOE-UHFFFAOYSA-N 0 3 298.347 -2.073 20 0 CAADHN CC[C@@H](C)OCC(=O)NCCNCC(=O)NC(N)=O ZINC001125826156 775257506 /nfs/dbraw/zinc/25/75/06/775257506.db2.gz ZDGZPDRFINTWRW-MRVPVSSYSA-N 0 3 274.321 -1.298 20 0 CAADHN CCCC[C@@H](N[C@@H](C)CN(C)C(=O)C(N)=O)C(N)=O ZINC001283664303 775257525 /nfs/dbraw/zinc/25/75/25/775257525.db2.gz KPJBECVXCAPWSB-DTWKUNHWSA-N 0 3 272.349 -1.048 20 0 CAADHN CCCC[C@H](N[C@H](C)CN(C)C(=O)C(N)=O)C(N)=O ZINC001283664298 775257945 /nfs/dbraw/zinc/25/79/45/775257945.db2.gz KPJBECVXCAPWSB-BDAKNGLRSA-N 0 3 272.349 -1.048 20 0 CAADHN CCCC[C@@H](N[C@H](C)CN(C)C(=O)C(N)=O)C(N)=O ZINC001283664307 775257984 /nfs/dbraw/zinc/25/79/84/775257984.db2.gz KPJBECVXCAPWSB-RKDXNWHRSA-N 0 3 272.349 -1.048 20 0 CAADHN Cc1nc[nH]c1CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001149134889 775259285 /nfs/dbraw/zinc/25/92/85/775259285.db2.gz NUYAFXRKLUOTQI-MRVPVSSYSA-N 0 3 296.331 -1.450 20 0 CAADHN Nc1cn(C(=O)C2CCCS2(=O)=O)c(N)nc1=O ZINC001143482660 775262690 /nfs/dbraw/zinc/26/26/90/775262690.db2.gz DLMLRFYRYYZXSF-LURJTMIESA-N 0 3 272.286 -1.132 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@H](N[C@H](C)C(N)=O)C1 ZINC001207441282 775263674 /nfs/dbraw/zinc/26/36/74/775263674.db2.gz OVONLWWYFJZOOW-KOLCDFICSA-N 0 3 284.360 -1.081 20 0 CAADHN CCCN(C)CC(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058638729 775263734 /nfs/dbraw/zinc/26/37/34/775263734.db2.gz FTCIGAMAACGYQI-UHFFFAOYSA-N 0 3 288.348 -2.249 20 0 CAADHN CC[C@H](C(=O)NCCN(CCO)C(=O)C(N)=O)N(C)C ZINC001058638969 775263932 /nfs/dbraw/zinc/26/39/32/775263932.db2.gz PNVPKWLOMMRESW-SECBINFHSA-N 0 3 288.348 -2.251 20 0 CAADHN CC[C@@H](C(=O)NCCN(CCO)C(=O)C(N)=O)N(C)C ZINC001058638970 775264332 /nfs/dbraw/zinc/26/43/32/775264332.db2.gz PNVPKWLOMMRESW-VIFPVBQESA-N 0 3 288.348 -2.251 20 0 CAADHN CCN(CC)CC(=O)NCCN(CCO)C(=O)C(N)=O ZINC001058639035 775264440 /nfs/dbraw/zinc/26/44/40/775264440.db2.gz RYZIMVCYWBSYNQ-UHFFFAOYSA-N 0 3 288.348 -2.249 20 0 CAADHN Cc1c(NC(=O)[C@H]2COC3(CNC3)CN2)cnn1C ZINC001218505094 775270850 /nfs/dbraw/zinc/27/08/50/775270850.db2.gz LNIBQQBOEKNECJ-SNVBAGLBSA-N 0 3 265.317 -1.003 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H]1CCCN(CCO)C1 ZINC001267622277 775272916 /nfs/dbraw/zinc/27/29/16/775272916.db2.gz SUPHYXKQGJGLAM-NXEZZACHSA-N 0 3 298.343 -1.453 20 0 CAADHN O=C(Cn1cnnn1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075532687 775275172 /nfs/dbraw/zinc/27/51/72/775275172.db2.gz MSGMBDPYMLJJRK-VHSXEESVSA-N 0 3 266.305 -1.802 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001283725558 775278424 /nfs/dbraw/zinc/27/84/24/775278424.db2.gz XSVBRUNLDVBYJT-IUCAKERBSA-N 0 3 298.343 -1.778 20 0 CAADHN CC[C@H](C(=O)NC1CN(CC(=O)NC)C1)N(C)C ZINC001267666924 775281515 /nfs/dbraw/zinc/28/15/15/775281515.db2.gz KRNFOLAZRAEWQB-SNVBAGLBSA-N 0 3 256.350 -1.127 20 0 CAADHN COC[C@@H](O)CN1CC(CNC(=O)CC(N)=O)C1 ZINC001267678022 775282965 /nfs/dbraw/zinc/28/29/65/775282965.db2.gz JZJLZKAQZWBPCP-VIFPVBQESA-N 0 3 259.306 -2.083 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)Cc1ccon1 ZINC001283743488 775285742 /nfs/dbraw/zinc/28/57/42/775285742.db2.gz BLJHSXHQOJTWBH-SNVBAGLBSA-N 0 3 257.290 -1.070 20 0 CAADHN COCCN[C@H](CO)CNC(=O)Cc1ccon1 ZINC001283743483 775286371 /nfs/dbraw/zinc/28/63/71/775286371.db2.gz BLJHSXHQOJTWBH-JTQLQIEISA-N 0 3 257.290 -1.070 20 0 CAADHN NC(=O)NCCC(=O)NCC1CN(CCCO)C1 ZINC001267699024 775287461 /nfs/dbraw/zinc/28/74/61/775287461.db2.gz UNZJKGNHCFUXSR-UHFFFAOYSA-N 0 3 258.322 -1.525 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)NCC1CN(CCCO)C1 ZINC001267699174 775287897 /nfs/dbraw/zinc/28/78/97/775287897.db2.gz WGFBJPWKZZGQJH-JTQLQIEISA-N 0 3 298.343 -1.595 20 0 CAADHN NC(=O)CC(=O)N[C@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001267721118 775289843 /nfs/dbraw/zinc/28/98/43/775289843.db2.gz KVNRXXHTYSTEMH-UWVGGRQHSA-N 0 3 292.343 -1.169 20 0 CAADHN O=C([C@@H]1CCC(=O)NC1)N(CCO)CCNCCF ZINC001279753940 775290270 /nfs/dbraw/zinc/29/02/70/775290270.db2.gz VMVRSEFIQOQZLP-SNVBAGLBSA-N 0 3 275.324 -1.107 20 0 CAADHN COCCCN1C[C@@H](NC(=O)COCCOC)[C@@H](O)C1 ZINC001219385500 775290442 /nfs/dbraw/zinc/29/04/42/775290442.db2.gz OIZGORBOGGYIHT-NEPJUHHUSA-N 0 3 290.360 -1.153 20 0 CAADHN Cc1nn[n-]c1C(=O)N[C@H]1CC[N@H+](CCOCCO)C1 ZINC001267727788 775291958 /nfs/dbraw/zinc/29/19/58/775291958.db2.gz NDNQNVWJYGPBLF-JTQLQIEISA-N 0 3 283.332 -1.074 20 0 CAADHN Cc1nn[n-]c1C(=O)N[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267727788 775291968 /nfs/dbraw/zinc/29/19/68/775291968.db2.gz NDNQNVWJYGPBLF-JTQLQIEISA-N 0 3 283.332 -1.074 20 0 CAADHN O=C(N[C@H]1COCC[C@@H]1O)[C@@H]1COC2(CNC2)CN1 ZINC001220181317 775294236 /nfs/dbraw/zinc/29/42/36/775294236.db2.gz JOHYIDYTDRWQAG-GUBZILKMSA-N 0 3 271.317 -2.417 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)CC(N)=O)C1 ZINC001267737908 775295047 /nfs/dbraw/zinc/29/50/47/775295047.db2.gz IANXRNSVSQUDCY-BDAKNGLRSA-N 0 3 259.306 -1.940 20 0 CAADHN O=C(N[C@@H](CO)C(F)(F)F)[C@H]1COC2(CNC2)CN1 ZINC001220447759 775296745 /nfs/dbraw/zinc/29/67/45/775296745.db2.gz OZWLJGZIIHEONP-RQJHMYQMSA-N 0 3 283.250 -1.644 20 0 CAADHN COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001267746991 775296928 /nfs/dbraw/zinc/29/69/28/775296928.db2.gz FGBGQTCHCVVAQW-GRYCIOLGSA-N 0 3 299.371 -1.338 20 0 CAADHN Cc1nnc(CC(=O)N[C@@H]2CCN(CCOCCO)C2)[nH]1 ZINC001267741197 775297350 /nfs/dbraw/zinc/29/73/50/775297350.db2.gz NAVMNMBKMJGIOQ-LLVKDONJSA-N 0 3 297.359 -1.145 20 0 CAADHN O=C(Cc1nc[nH]n1)N[C@@H]1CCN(CCOCCO)C1 ZINC001267750922 775298357 /nfs/dbraw/zinc/29/83/57/775298357.db2.gz RQPBNWPKHRZFBO-SNVBAGLBSA-N 0 3 283.332 -1.453 20 0 CAADHN O=C(CN1CCOCC1)NCCNCC(=O)N1CCC1 ZINC001125889399 775300281 /nfs/dbraw/zinc/30/02/81/775300281.db2.gz ADALMDHVMUOKQM-UHFFFAOYSA-N 0 3 284.360 -1.743 20 0 CAADHN Cn1cc(CNCCNC(=O)CN2CCOCC2)cn1 ZINC001125891033 775301789 /nfs/dbraw/zinc/30/17/89/775301789.db2.gz NONUDUKUNZVYRX-UHFFFAOYSA-N 0 3 281.360 -1.042 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CCOCC1 ZINC001125890664 775302061 /nfs/dbraw/zinc/30/20/61/775302061.db2.gz JKEOWCANDXCIGI-UHFFFAOYSA-N 0 3 258.322 -2.230 20 0 CAADHN Cc1nnc(CNC(=O)[C@@H](N)CC[S@@](C)=O)[nH]1 ZINC001221409179 775302556 /nfs/dbraw/zinc/30/25/56/775302556.db2.gz SOJBBMHZCBBLEO-BWKAKNAASA-N 0 3 259.335 -1.175 20 0 CAADHN CC[C@H](CNC(=O)Cn1cnnn1)N[C@H](C)C(N)=O ZINC001267796262 775303351 /nfs/dbraw/zinc/30/33/51/775303351.db2.gz LKMUQUUSMCQBDY-HTQZYQBOSA-N 0 3 269.309 -1.969 20 0 CAADHN O=C(CN1CCOCC1)NCCNCC(=O)N1CCCC1 ZINC001125892463 775304168 /nfs/dbraw/zinc/30/41/68/775304168.db2.gz YRCXBIYYGNAEFJ-UHFFFAOYSA-N 0 3 298.387 -1.353 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CN1CCOCC1 ZINC001125892237 775304702 /nfs/dbraw/zinc/30/47/02/775304702.db2.gz XXKJBLFJGNMAQQ-UHFFFAOYSA-N 0 3 286.376 -1.497 20 0 CAADHN CC[C@@H](CNC(=O)[C@@]1(CC)CCNC1=O)NCC(N)=O ZINC001267807582 775307262 /nfs/dbraw/zinc/30/72/62/775307262.db2.gz YWULQQYLMMZMLP-ZANVPECISA-N 0 3 284.360 -1.128 20 0 CAADHN O=C(CN1CCOCC1)NCCN[C@H]1CCCNC1=O ZINC001125900968 775308216 /nfs/dbraw/zinc/30/82/16/775308216.db2.gz AUAYJFYWESZECC-NSHDSACASA-N 0 3 284.360 -1.697 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)CN2CCOCC2)C1=O ZINC001125900997 775308704 /nfs/dbraw/zinc/30/87/04/775308704.db2.gz BBKDMBINNMYPSP-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NCC(=O)N1CCOCC1 ZINC001267817929 775309298 /nfs/dbraw/zinc/30/92/98/775309298.db2.gz VIEHYGIFGRNDJP-VIFPVBQESA-N 0 3 286.332 -2.185 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)CN2CCOCC2)C1=O ZINC001125900996 775309386 /nfs/dbraw/zinc/30/93/86/775309386.db2.gz BBKDMBINNMYPSP-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1CCOCC1)C(N)=O ZINC001125906530 775309902 /nfs/dbraw/zinc/30/99/02/775309902.db2.gz XRSLEKPVQBLPAR-SNVBAGLBSA-N 0 3 272.349 -1.712 20 0 CAADHN CC[C@H](NCCNC(=O)CN1CCOCC1)C(N)=O ZINC001125906529 775309949 /nfs/dbraw/zinc/30/99/49/775309949.db2.gz XRSLEKPVQBLPAR-JTQLQIEISA-N 0 3 272.349 -1.712 20 0 CAADHN CCN(C)C(=O)CNCC1(NC(=O)C(N)=O)CCCC1 ZINC001267841193 775310096 /nfs/dbraw/zinc/31/00/96/775310096.db2.gz MVWJEAPBRZEJDN-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN O=C(CN1CCOCC1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001125901682 775310415 /nfs/dbraw/zinc/31/04/15/775310415.db2.gz GVONZRVYDIFHTR-SNVBAGLBSA-N 0 3 298.343 -2.170 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CN2CCOCC2)C1=O ZINC001125903959 775310446 /nfs/dbraw/zinc/31/04/46/775310446.db2.gz ZUJMPXHMMSZOFK-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1CCOCC1 ZINC001125903182 775310725 /nfs/dbraw/zinc/31/07/25/775310725.db2.gz PLMHVMOATQBKSD-JTQLQIEISA-N 0 3 272.349 -1.841 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1CCOCC1 ZINC001125901710 775311810 /nfs/dbraw/zinc/31/18/10/775311810.db2.gz ITVABZSPJFUFBC-UHFFFAOYSA-N 0 3 272.349 -1.840 20 0 CAADHN NC(=O)CNCC1(NC(=O)CC(N)=O)CCCC1 ZINC001267834817 775311834 /nfs/dbraw/zinc/31/18/34/775311834.db2.gz MPDOMYPXFOVFBI-UHFFFAOYSA-N 0 3 256.306 -1.634 20 0 CAADHN COCCN1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136205 775312262 /nfs/dbraw/zinc/31/22/62/775312262.db2.gz FAFVCFSDCJPWQY-SNVBAGLBSA-N 0 3 288.348 -1.492 20 0 CAADHN CCN1CCCO[C@H](CNC(=O)CNC(N)=O)C1 ZINC001149136198 775312690 /nfs/dbraw/zinc/31/26/90/775312690.db2.gz DZEWSZYNGRGZNK-SECBINFHSA-N 0 3 258.322 -1.118 20 0 CAADHN C[C@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)n1cncn1 ZINC001125911142 775313037 /nfs/dbraw/zinc/31/30/37/775313037.db2.gz MPAOLZARBAETOF-BDAKNGLRSA-N 0 3 294.315 -1.650 20 0 CAADHN C[C@@H](C(=O)NCCN[C@H]1CCNC1=O)n1cncn1 ZINC001125930435 775314742 /nfs/dbraw/zinc/31/47/42/775314742.db2.gz JLSZUJLPMUIMTH-IUCAKERBSA-N 0 3 266.305 -1.567 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@@H]1CN[C@@H](C)C(N)=O ZINC001267954211 775316823 /nfs/dbraw/zinc/31/68/23/775316823.db2.gz JUKDQHZUUQUESF-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](C(N)=O)N1CCC(CCNC(=O)C(N)=O)CC1 ZINC001267946012 775317601 /nfs/dbraw/zinc/31/76/01/775317601.db2.gz GNDKLFIUNWSILU-MRVPVSSYSA-N 0 3 270.333 -1.436 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC1CC1)n1cncn1 ZINC001125931092 775318145 /nfs/dbraw/zinc/31/81/45/775318145.db2.gz RRWUMSRJYHHAEI-VIFPVBQESA-N 0 3 280.332 -1.177 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](C)n1cncn1 ZINC001125931412 775318229 /nfs/dbraw/zinc/31/82/29/775318229.db2.gz UFWIQYWZSQHUEU-VIFPVBQESA-N 0 3 268.321 -1.319 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@@H]1CN[C@H](C)C(N)=O ZINC001267954210 775318793 /nfs/dbraw/zinc/31/87/93/775318793.db2.gz JUKDQHZUUQUESF-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1COCCN1C)C(=O)N(C)C ZINC001125944500 775319333 /nfs/dbraw/zinc/31/93/33/775319333.db2.gz CWSWKUXWCYCZIK-QWRGUYRKSA-N 0 3 286.376 -1.501 20 0 CAADHN NC(=O)C(NC(=O)[C@@H]1CC[C@H]2CCCCN21)C(N)=O ZINC001141290798 775319734 /nfs/dbraw/zinc/31/97/34/775319734.db2.gz IPABWSXXJSCHPR-SFYZADRCSA-N 0 3 268.317 -1.541 20 0 CAADHN NC(=O)C(NC(=O)[C@@H]1CC[C@@H]2CCCCN21)C(N)=O ZINC001141290799 775320446 /nfs/dbraw/zinc/32/04/46/775320446.db2.gz IPABWSXXJSCHPR-YUMQZZPRSA-N 0 3 268.317 -1.541 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2COCCN2C)C1=O ZINC001125946401 775321862 /nfs/dbraw/zinc/32/18/62/775321862.db2.gz UTWPZSFMDJFCJB-MNOVXSKESA-N 0 3 284.360 -1.747 20 0 CAADHN CNC(=O)CCCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001126015349 775340433 /nfs/dbraw/zinc/34/04/33/775340433.db2.gz GGWHXTJBWXXYNZ-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2COCCN2C)C1=O ZINC001125945536 775322725 /nfs/dbraw/zinc/32/27/25/775322725.db2.gz NXGIRQIZFWHWAY-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1COCCN1C)C(N)=O ZINC001125945108 775323208 /nfs/dbraw/zinc/32/32/08/775323208.db2.gz IWEPRSJQWMHEOU-UWVGGRQHSA-N 0 3 272.349 -1.713 20 0 CAADHN CN1CCOC[C@H]1C(=O)NCCNCC(=O)N1CCCC1 ZINC001125945804 775323411 /nfs/dbraw/zinc/32/34/11/775323411.db2.gz PIDWLDGWQBZMPB-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@@H]1COCCN1C ZINC001125955599 775327333 /nfs/dbraw/zinc/32/73/33/775327333.db2.gz AGEOSKIQOQWHJQ-LBPRGKRZSA-N 0 3 281.360 -1.044 20 0 CAADHN C[C@@H](O)CN1C[C@@H](NC(=O)Cn2ncnn2)C(C)(C)C1 ZINC000974600082 775327608 /nfs/dbraw/zinc/32/76/08/775327608.db2.gz GGMYEMISODMNJZ-NXEZZACHSA-N 0 3 282.348 -1.120 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001125960794 775328309 /nfs/dbraw/zinc/32/83/09/775328309.db2.gz OLZIDUSHYKWVPQ-WDEREUQCSA-N 0 3 284.360 -1.699 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001125959879 775328334 /nfs/dbraw/zinc/32/83/34/775328334.db2.gz COHZLQHJYOBQDV-NXEZZACHSA-N 0 3 270.333 -2.089 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001125959881 775329207 /nfs/dbraw/zinc/32/92/07/775329207.db2.gz COHZLQHJYOBQDV-VHSXEESVSA-N 0 3 270.333 -2.089 20 0 CAADHN CN1CCOC[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001125960676 775329694 /nfs/dbraw/zinc/32/96/94/775329694.db2.gz NNVBWRZAUCIMSO-LLVKDONJSA-N 0 3 284.360 -1.699 20 0 CAADHN CN1CCOC[C@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001125961968 775330602 /nfs/dbraw/zinc/33/06/02/775330602.db2.gz ZMQPEWJMNPAUIQ-UWVGGRQHSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc1nnc[n-]1)C(N)=O ZINC001268008714 775330707 /nfs/dbraw/zinc/33/07/07/775330707.db2.gz KKYQZNGSCDGIRA-HTQZYQBOSA-N 0 3 268.321 -1.437 20 0 CAADHN COC[C@@H](O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC001114994640 775336433 /nfs/dbraw/zinc/33/64/33/775336433.db2.gz PWGFJZSLDRTLCN-WYOJIJJFSA-N 0 3 282.300 -1.263 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001268079264 775374534 /nfs/dbraw/zinc/37/45/34/775374534.db2.gz QZIOOPZIXYSNLJ-SFYZADRCSA-N 0 3 258.322 -1.580 20 0 CAADHN CCNC(=O)CNCCNC(=O)CC(=O)NCC ZINC001126002655 775337920 /nfs/dbraw/zinc/33/79/20/775337920.db2.gz MHOVLIZYZGCOOS-UHFFFAOYSA-N 0 3 258.322 -1.646 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001126002917 775338298 /nfs/dbraw/zinc/33/82/98/775338298.db2.gz PEDIAHRTKJGFBA-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001126003441 775338742 /nfs/dbraw/zinc/33/87/42/775338742.db2.gz WDBDVXKXWALEKP-SECBINFHSA-N 0 3 270.333 -1.503 20 0 CAADHN CCNC(=O)CC(=O)NCCNCC(=O)N(C)CC ZINC001126002272 775338766 /nfs/dbraw/zinc/33/87/66/775338766.db2.gz HBYRZJYOKIOWKJ-UHFFFAOYSA-N 0 3 272.349 -1.303 20 0 CAADHN CCNC(=O)CC(=O)NCCNCC(=O)NC(=O)NC ZINC001126002027 775338936 /nfs/dbraw/zinc/33/89/36/775338936.db2.gz BMBDLXWRZQYZPV-UHFFFAOYSA-N 0 3 287.320 -2.326 20 0 CAADHN CNC(=O)CCCC(=O)NCCN[C@H]1CCCNC1=O ZINC001126015952 775339506 /nfs/dbraw/zinc/33/95/06/775339506.db2.gz YUBGOKQAYMDPBZ-JTQLQIEISA-N 0 3 284.360 -1.113 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001126006869 775339812 /nfs/dbraw/zinc/33/98/12/775339812.db2.gz BPLQSZAKDDDVER-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CCNC(=O)CC(=O)NCCN[C@@H]1CCN(CC)C1=O ZINC001126008080 775340890 /nfs/dbraw/zinc/34/08/90/775340890.db2.gz XPVMDOGYMGGRGJ-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)CC(=O)NCCNCC(=O)NCC(C)C ZINC001126007157 775341143 /nfs/dbraw/zinc/34/11/43/775341143.db2.gz IUIRXYPWDKESRX-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN O=C(CN1CN=NC1=O)NCCN[C@H]1CCNC1=O ZINC001126027799 775341402 /nfs/dbraw/zinc/34/14/02/775341402.db2.gz WQLXKKGZCARXCF-ZETCQYMHSA-N 0 3 268.277 -2.422 20 0 CAADHN Cc1nc(CNCCNC(=O)CN2CN=NC2=O)n[nH]1 ZINC001126027029 775341494 /nfs/dbraw/zinc/34/14/94/775341494.db2.gz MPDDJRCHQBBWOS-UHFFFAOYSA-N 0 3 280.292 -1.684 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)CN2CN=NC2=O)C1=O ZINC001126026804 775341762 /nfs/dbraw/zinc/34/17/62/775341762.db2.gz IHWNJAGZKUUMSC-SECBINFHSA-N 0 3 296.331 -1.690 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126026937 775342335 /nfs/dbraw/zinc/34/23/35/775342335.db2.gz JMPSXMOMDKWBHL-UHFFFAOYSA-N 0 3 270.293 -2.222 20 0 CAADHN O=C(CN1CN=NC1=O)NCCN[C@@H]1CCCNC1=O ZINC001126027786 775342464 /nfs/dbraw/zinc/34/24/64/775342464.db2.gz WHKCNWBCTPNRJL-MRVPVSSYSA-N 0 3 282.304 -2.032 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126027322 775342870 /nfs/dbraw/zinc/34/28/70/775342870.db2.gz OXXGISPDGZHETM-UHFFFAOYSA-N 0 3 298.347 -1.444 20 0 CAADHN C[C@H](NCCNC(=O)CN1CN=NC1=O)C(=O)N(C)C ZINC001126026920 775342991 /nfs/dbraw/zinc/34/29/91/775342991.db2.gz IUNORYLVZHFPOJ-QMMMGPOBSA-N 0 3 284.320 -1.834 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CN=NC1=O)C(=O)N(C)C ZINC001126026919 775343062 /nfs/dbraw/zinc/34/30/62/775343062.db2.gz IUNORYLVZHFPOJ-MRVPVSSYSA-N 0 3 284.320 -1.834 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)CN1CN=NC1=O ZINC001126027693 775343082 /nfs/dbraw/zinc/34/30/82/775343082.db2.gz UKLURBONCNOFCN-UHFFFAOYSA-N 0 3 298.347 -1.394 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CC[C@H](C)OC ZINC001126043904 775343845 /nfs/dbraw/zinc/34/38/45/775343845.db2.gz SZBSATAOFSNNRX-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)CN1CN=NC1=O ZINC001126031866 775344270 /nfs/dbraw/zinc/34/42/70/775344270.db2.gz FISNWUKIGILYFU-VIFPVBQESA-N 0 3 298.347 -1.396 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CN2CN=NC2=O)C1=O ZINC001126031759 775344297 /nfs/dbraw/zinc/34/42/97/775344297.db2.gz BIAUEGIHUZKKTJ-MRVPVSSYSA-N 0 3 282.304 -2.080 20 0 CAADHN CCCC[C@@H](NCCNC(=O)CN1CN=NC1=O)C(N)=O ZINC001126032002 775344525 /nfs/dbraw/zinc/34/45/25/775344525.db2.gz FODWOPFMDCCTEP-SECBINFHSA-N 0 3 298.347 -1.266 20 0 CAADHN COc1cc(C(=O)NCCNCC(=O)NC(N)=O)on1 ZINC001126036545 775344651 /nfs/dbraw/zinc/34/46/51/775344651.db2.gz IVMLXHRBRHHRBE-UHFFFAOYSA-N 0 3 285.260 -1.803 20 0 CAADHN CO[C@H](C)CCC(=O)NCCNCC(=O)NC(N)=O ZINC001126043923 775344675 /nfs/dbraw/zinc/34/46/75/775344675.db2.gz TZVVEVKTILAOBC-MRVPVSSYSA-N 0 3 274.321 -1.298 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cc(OC)no1 ZINC001126037356 775344697 /nfs/dbraw/zinc/34/46/97/775344697.db2.gz UYKMBRCAVHNLFC-UHFFFAOYSA-N 0 3 299.287 -1.542 20 0 CAADHN COc1cc(C(=O)NCCN[C@@H](C)C(N)=O)on1 ZINC001126037536 775345199 /nfs/dbraw/zinc/34/51/99/775345199.db2.gz VUPARUPDDQCUNM-LURJTMIESA-N 0 3 256.262 -1.124 20 0 CAADHN CCc1nc(C(=O)NCCNCC(=O)NC(N)=O)co1 ZINC001126057704 775345503 /nfs/dbraw/zinc/34/55/03/775345503.db2.gz YDPZZTJBFOJWMK-UHFFFAOYSA-N 0 3 283.288 -1.249 20 0 CAADHN Cn1ncc(C(=O)NCCNCC(=O)N2CCCC2)c1N ZINC001126086077 775346047 /nfs/dbraw/zinc/34/60/47/775346047.db2.gz FBPKZVPJPNUQRX-UHFFFAOYSA-N 0 3 294.359 -1.056 20 0 CAADHN O=S(=O)(C1CNC1)N1CCN(c2cnccn2)CC1 ZINC000722222827 775346128 /nfs/dbraw/zinc/34/61/28/775346128.db2.gz PYZNKMJRZVHDLR-UHFFFAOYSA-N 0 3 283.357 -1.100 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccc(F)cn1 ZINC001126066699 775346539 /nfs/dbraw/zinc/34/65/39/775346539.db2.gz NKWMDRNIXOELIW-UHFFFAOYSA-N 0 3 297.290 -1.004 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn(C)c1N)C(N)=O ZINC001126086029 775346928 /nfs/dbraw/zinc/34/69/28/775346928.db2.gz CAHWOVPQOVBWSO-ZCFIWIBFSA-N 0 3 254.294 -1.805 20 0 CAADHN CCNC(=O)CN1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000722226625 775347079 /nfs/dbraw/zinc/34/70/79/775347079.db2.gz UGNGFWQDFWCVQH-UHFFFAOYSA-N 0 3 290.389 -1.958 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cnn(C)c2N)C1=O ZINC001126104620 775348084 /nfs/dbraw/zinc/34/80/84/775348084.db2.gz VMOAWPRAWWFKSK-SECBINFHSA-N 0 3 280.332 -1.448 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cncnc1 ZINC001126093751 775348642 /nfs/dbraw/zinc/34/86/42/775348642.db2.gz MUTVYSHEKXYSAR-UHFFFAOYSA-N 0 3 266.261 -2.009 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)c2cnn(C)c2N)C1=O ZINC001126099285 775348661 /nfs/dbraw/zinc/34/86/61/775348661.db2.gz KSTAUTOIQXURBO-SNVBAGLBSA-N 0 3 294.359 -1.058 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)c2cnn(C)c2N)C1=O ZINC001126099284 775348743 /nfs/dbraw/zinc/34/87/43/775348743.db2.gz KSTAUTOIQXURBO-JTQLQIEISA-N 0 3 294.359 -1.058 20 0 CAADHN Cn1ncc(C(=O)NCCNCC(=O)NC(N)=O)c1N ZINC001126099206 775348929 /nfs/dbraw/zinc/34/89/29/775348929.db2.gz HWIAILKGFWBCJW-UHFFFAOYSA-N 0 3 283.292 -2.483 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnn(C)c1N ZINC001126099685 775348947 /nfs/dbraw/zinc/34/89/47/775348947.db2.gz UCIQESKJIIHYHW-UHFFFAOYSA-N 0 3 297.319 -2.223 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cncnc1 ZINC001126104585 775349020 /nfs/dbraw/zinc/34/90/20/775349020.db2.gz USFXKXISRALSTJ-MRVPVSSYSA-N 0 3 251.290 -1.070 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn(C)c1N)C(=O)NC(N)=O ZINC001126093779 775349058 /nfs/dbraw/zinc/34/90/58/775349058.db2.gz NVBRFFIBDQPKOX-LURJTMIESA-N 0 3 297.319 -2.095 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cncnc1 ZINC001126093322 775349083 /nfs/dbraw/zinc/34/90/83/775349083.db2.gz BWHUSAQUMKADAY-UHFFFAOYSA-N 0 3 251.290 -1.116 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)C1=CCOCC1 ZINC001126113951 775350586 /nfs/dbraw/zinc/35/05/86/775350586.db2.gz DSICSAKBZLNVFX-SNVBAGLBSA-N 0 3 281.312 -1.156 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)C1=CCOCC1 ZINC001126115384 775350705 /nfs/dbraw/zinc/35/07/05/775350705.db2.gz YMCCRVNKNULWPE-SNVBAGLBSA-N 0 3 253.302 -1.073 20 0 CAADHN O=C([C@H]1COCCO1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075569214 775351257 /nfs/dbraw/zinc/35/12/57/775351257.db2.gz JQKRIPHBFBHQRK-QJPTWQEYSA-N 0 3 270.329 -1.073 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cncnc1 ZINC001126118711 775351368 /nfs/dbraw/zinc/35/13/68/775351368.db2.gz IIELNERYLWXVHR-MRVPVSSYSA-N 0 3 294.315 -1.360 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1ccoc1 ZINC001126134594 775351909 /nfs/dbraw/zinc/35/19/09/775351909.db2.gz IDXTVMJVXYWJHT-UHFFFAOYSA-N 0 3 282.300 -1.017 20 0 CAADHN C[C@H](NCCNC(=O)C1=CCOCC1)C(=O)NC(N)=O ZINC001126147114 775352158 /nfs/dbraw/zinc/35/21/58/775352158.db2.gz FWXMUWBTCPWURZ-QMMMGPOBSA-N 0 3 284.316 -1.378 20 0 CAADHN CCCC[C@@H](NCCNC(=O)CC(=O)NC)C(N)=O ZINC001126153626 775352512 /nfs/dbraw/zinc/35/25/12/775352512.db2.gz KLHNOXTZMAHBOB-SECBINFHSA-N 0 3 272.349 -1.128 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C1=CCOCC1 ZINC001126148839 775352551 /nfs/dbraw/zinc/35/25/51/775352551.db2.gz XYAHTFNHOKZMKK-SECBINFHSA-N 0 3 298.343 -1.117 20 0 CAADHN CCCC[C@H](NCCNC(=O)CC(=O)NC)C(N)=O ZINC001126153627 775352613 /nfs/dbraw/zinc/35/26/13/775352613.db2.gz KLHNOXTZMAHBOB-VIFPVBQESA-N 0 3 272.349 -1.128 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001126153751 775352757 /nfs/dbraw/zinc/35/27/57/775352757.db2.gz MGPCHROUEUXCNY-MRVPVSSYSA-N 0 3 256.306 -1.941 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)CC(=O)NC ZINC001126161032 775353435 /nfs/dbraw/zinc/35/34/35/775353435.db2.gz BHZNTTHYEQWRRX-UHFFFAOYSA-N 0 3 288.348 -2.019 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)N[C@H](C)C(C)C ZINC001126161372 775353917 /nfs/dbraw/zinc/35/39/17/775353917.db2.gz JAQFEWQMTLFCED-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CC(=O)NC ZINC001126161502 775354113 /nfs/dbraw/zinc/35/41/13/775354113.db2.gz OFBSSJMCTGQYDI-UHFFFAOYSA-N 0 3 258.322 -1.646 20 0 CAADHN CNC(=O)CC(=O)NCCNCc1cncn1C ZINC001126161495 775354161 /nfs/dbraw/zinc/35/41/61/775354161.db2.gz NYFAYVUPTFYAIW-UHFFFAOYSA-N 0 3 253.306 -1.238 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NC1CC1 ZINC001126161109 775354565 /nfs/dbraw/zinc/35/45/65/775354565.db2.gz FHJZHAWMOFEEJJ-UHFFFAOYSA-N 0 3 256.306 -1.893 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CC(=O)NC ZINC001126161472 775354710 /nfs/dbraw/zinc/35/47/10/775354710.db2.gz NBAPKAZTJARVHL-UHFFFAOYSA-N 0 3 258.322 -1.693 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)CC(=O)NC ZINC001126161328 775355066 /nfs/dbraw/zinc/35/50/66/775355066.db2.gz HWUBLFDNRXCUHH-UHFFFAOYSA-N 0 3 272.349 -1.255 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)CC(=O)NC ZINC001126162019 775355441 /nfs/dbraw/zinc/35/54/41/775355441.db2.gz XCPIUEUWOKCOMQ-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001126169252 775355467 /nfs/dbraw/zinc/35/54/67/775355467.db2.gz FTJSORKZMNACRN-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)CC(=O)NC ZINC001126162020 775355616 /nfs/dbraw/zinc/35/56/16/775355616.db2.gz XCPIUEUWOKCOMQ-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CNC(=O)CC(=O)NCCNCC(=O)NCC(C)C ZINC001126169324 775355885 /nfs/dbraw/zinc/35/58/85/775355885.db2.gz HVTBMUIAVDZYJS-UHFFFAOYSA-N 0 3 272.349 -1.400 20 0 CAADHN CNC(=O)CC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001126169251 775356206 /nfs/dbraw/zinc/35/62/06/775356206.db2.gz FTJSORKZMNACRN-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CN(CC(=O)NC1CC1)C(=O)[C@@H]1CNCCN1C ZINC000686925564 775356440 /nfs/dbraw/zinc/35/64/40/775356440.db2.gz OQXPTTOGOTWFKN-JTQLQIEISA-N 0 3 254.334 -1.373 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CC(=O)NC)C1=O ZINC001126170395 775356517 /nfs/dbraw/zinc/35/65/17/775356517.db2.gz ZQYNOSZOIFYBJP-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN Cc1nc(C(=O)NCCNCCNS(C)(=O)=O)co1 ZINC001126179481 775356847 /nfs/dbraw/zinc/35/68/47/775356847.db2.gz JQFYIWTUKILDTA-UHFFFAOYSA-N 0 3 290.345 -1.148 20 0 CAADHN COCCNCC(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000092495223 775356905 /nfs/dbraw/zinc/35/69/05/775356905.db2.gz JPIMIDSJEIBPKV-UHFFFAOYSA-N 0 3 293.389 -1.237 20 0 CAADHN COC(=O)C[C@H]1CN(S(=O)(=O)C2CNC2)CCO1 ZINC000722256452 775356993 /nfs/dbraw/zinc/35/69/93/775356993.db2.gz FBRKVIPEYOHLHA-QMMMGPOBSA-N 0 3 278.330 -1.448 20 0 CAADHN CCn1nccc1C(=O)NCCNCC(=O)NC ZINC001126185227 775357537 /nfs/dbraw/zinc/35/75/37/775357537.db2.gz ZINYXWAZZOXSIR-UHFFFAOYSA-N 0 3 253.306 -1.032 20 0 CAADHN CCCC[C@@H](NCCNC(=O)[C@H](C)NC(N)=O)C(N)=O ZINC001126195043 775358153 /nfs/dbraw/zinc/35/81/53/775358153.db2.gz MYQBNMINAGSXGN-DTWKUNHWSA-N 0 3 287.364 -1.207 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCCNS(C)(=O)=O ZINC001126194984 775358179 /nfs/dbraw/zinc/35/81/79/775358179.db2.gz MGIVUNDMKCSOFL-ZETCQYMHSA-N 0 3 295.365 -2.702 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](C)NC(N)=O ZINC001126193825 775358378 /nfs/dbraw/zinc/35/83/78/775358378.db2.gz AHTVIJCJIYXROH-BQBZGAKWSA-N 0 3 259.310 -2.117 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)NC(N)=O ZINC001126193826 775358527 /nfs/dbraw/zinc/35/85/27/775358527.db2.gz AHTVIJCJIYXROH-RQJHMYQMSA-N 0 3 259.310 -2.117 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)NC(N)=O ZINC001126195226 775358611 /nfs/dbraw/zinc/35/86/11/775358611.db2.gz QDKAMJFJBPYWTI-YFKPBYRVSA-N 0 3 274.281 -3.056 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H](C)NC(N)=O ZINC001126194758 775358634 /nfs/dbraw/zinc/35/86/34/775358634.db2.gz KVFQICCWONTGEQ-QMMMGPOBSA-N 0 3 273.337 -1.725 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001126195093 775359000 /nfs/dbraw/zinc/35/90/00/775359000.db2.gz NUTHGTNFRJPXID-YUMQZZPRSA-N 0 3 271.321 -2.020 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)N(C)C ZINC001126195644 775359031 /nfs/dbraw/zinc/35/90/31/775359031.db2.gz SNMAVIJJJLJFDN-ZETCQYMHSA-N 0 3 259.310 -2.163 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)NC(N)=O)C(=O)N(C)C ZINC001126195873 775359676 /nfs/dbraw/zinc/35/96/76/775359676.db2.gz VOVMCIPHXLNGOM-JGVFFNPUSA-N 0 3 273.337 -1.774 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)N1CCC1 ZINC001126199377 775360555 /nfs/dbraw/zinc/36/05/55/775360555.db2.gz RUCJPTIKZJCWGM-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)NCC1CC1 ZINC001126199092 775360748 /nfs/dbraw/zinc/36/07/48/775360748.db2.gz NTMFCHNAGOWZHW-QMMMGPOBSA-N 0 3 285.348 -1.725 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCc1ccnn1C ZINC001126199545 775360888 /nfs/dbraw/zinc/36/08/88/775360888.db2.gz VATZHZMIRPPKGO-QMMMGPOBSA-N 0 3 268.321 -1.317 20 0 CAADHN Cc1nn(C)cc1CNCCNC(=O)[C@H](C)NC(N)=O ZINC001126198621 775361086 /nfs/dbraw/zinc/36/10/86/775361086.db2.gz DBHWTPVGNVFVOD-VIFPVBQESA-N 0 3 282.348 -1.009 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)N1CCCCC1 ZINC001126199395 775361116 /nfs/dbraw/zinc/36/11/16/775361116.db2.gz RZJMKYNZMMDEAM-JTQLQIEISA-N 0 3 299.375 -1.239 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCNCC(=O)N1CCCC1 ZINC001126199376 775361158 /nfs/dbraw/zinc/36/11/58/775361158.db2.gz RTOAYISEABFSSU-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001126203965 775362034 /nfs/dbraw/zinc/36/20/34/775362034.db2.gz CTUQDMMZHJZHHT-NKWVEPMBSA-N 0 3 257.294 -2.363 20 0 CAADHN CCn1nccc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001126204623 775362057 /nfs/dbraw/zinc/36/20/57/775362057.db2.gz SBRNUDFRVBELBZ-MRVPVSSYSA-N 0 3 296.331 -1.194 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001126204038 775362216 /nfs/dbraw/zinc/36/22/16/775362216.db2.gz FNFYMEKBWXUKTK-IUCAKERBSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@H](CN1CCCC1=O)NS(=O)(=O)C1CNC1 ZINC000722303847 775362662 /nfs/dbraw/zinc/36/26/62/775362662.db2.gz DBPFGCBPTNABJI-MRVPVSSYSA-N 0 3 261.347 -1.112 20 0 CAADHN [NH3+]CCc1nnn(-c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001167791017 775364649 /nfs/dbraw/zinc/36/46/49/775364649.db2.gz ORNAZSLEAGPKDO-UHFFFAOYSA-N 0 3 258.249 -1.261 20 0 CAADHN O=C(NC[C@H]1CCCN1CCO)[C@H]1COCCO1 ZINC001027766716 775365073 /nfs/dbraw/zinc/36/50/73/775365073.db2.gz UYXYZTLBTJVEMH-GHMZBOCLSA-N 0 3 258.318 -1.025 20 0 CAADHN O=C(CC1OCCCO1)NCCN[C@@H]1CCNC1=O ZINC001126224048 775365658 /nfs/dbraw/zinc/36/56/58/775365658.db2.gz GELRTLBANFCYGX-SECBINFHSA-N 0 3 271.317 -1.266 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)/C=C/c1ccc[nH]1 ZINC001126238102 775365801 /nfs/dbraw/zinc/36/58/01/775365801.db2.gz IHVLUOUXYYOPPS-ONEGZZNKSA-N 0 3 279.300 -1.071 20 0 CAADHN O=C(CC1OCCCO1)NCCN[C@H]1CCC(=O)NC1=O ZINC001126228468 775365864 /nfs/dbraw/zinc/36/58/64/775365864.db2.gz QYUFAUBNQIILSN-VIFPVBQESA-N 0 3 299.327 -1.350 20 0 CAADHN C[C@H](NCCNC(=O)CC1OCCCO1)C(N)=O ZINC001126228275 775365916 /nfs/dbraw/zinc/36/59/16/775365916.db2.gz PQGWTBWCNJZYJB-QMMMGPOBSA-N 0 3 259.306 -1.281 20 0 CAADHN COC[C@H](O)CN1CC2(C1)CCN(C(=O)CC(N)=O)CC2 ZINC001268044155 775365936 /nfs/dbraw/zinc/36/59/36/775365936.db2.gz RRPDNGONRVXLAY-LLVKDONJSA-N 0 3 299.371 -1.207 20 0 CAADHN C[C@@H](NCCNC(=O)CC1OCCCO1)C(N)=O ZINC001126228274 775366200 /nfs/dbraw/zinc/36/62/00/775366200.db2.gz PQGWTBWCNJZYJB-MRVPVSSYSA-N 0 3 259.306 -1.281 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H](C)C(N)=O)cnn1 ZINC001126254489 775367273 /nfs/dbraw/zinc/36/72/73/775367273.db2.gz FYJDPFDECXXFTL-MRVPVSSYSA-N 0 3 251.290 -1.022 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H]2CCNC2=O)cnn1 ZINC001126256013 775367695 /nfs/dbraw/zinc/36/76/95/775367695.db2.gz VLAWNTVEVPNHGK-SNVBAGLBSA-N 0 3 263.301 -1.007 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CS(C)(=O)=O)C1 ZINC001207552998 775367816 /nfs/dbraw/zinc/36/78/16/775367816.db2.gz RNFJOMSNLQQAKK-SECBINFHSA-N 0 3 291.373 -1.642 20 0 CAADHN O=C(CCn1ccnn1)NCCNCC(=O)NCC1CC1 ZINC001126270267 775368096 /nfs/dbraw/zinc/36/80/96/775368096.db2.gz FITLFEZHUYUJFM-UHFFFAOYSA-N 0 3 294.359 -1.100 20 0 CAADHN Cc1ccn(C)c1C(=O)NCCNCC(=O)NC(N)=O ZINC001126260425 775368169 /nfs/dbraw/zinc/36/81/69/775368169.db2.gz AHAKOBNIRCWRCA-UHFFFAOYSA-N 0 3 281.316 -1.152 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)CCn2ccnn2)C1=O ZINC001126270241 775368381 /nfs/dbraw/zinc/36/83/81/775368381.db2.gz DCUQSDGLQNOZIS-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)cnn1 ZINC001126255046 775368414 /nfs/dbraw/zinc/36/84/14/775368414.db2.gz LTDGIJAJZSTLJB-JTQLQIEISA-N 0 3 291.311 -1.090 20 0 CAADHN CNC(=O)CNCCNC(=O)CCn1ccnn1 ZINC001126264397 775368512 /nfs/dbraw/zinc/36/85/12/775368512.db2.gz OYYCTBHEKAVLDV-UHFFFAOYSA-N 0 3 254.294 -1.880 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnnc(C)c1 ZINC001126250427 775368681 /nfs/dbraw/zinc/36/86/81/775368681.db2.gz JFGDDVOQVLGLQL-UHFFFAOYSA-N 0 3 294.315 -1.440 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CCn1ccnn1 ZINC001126263706 775368708 /nfs/dbraw/zinc/36/87/08/775368708.db2.gz CCPZEPZZKXOCFV-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN O=C(CCn1ccnn1)NCCN[C@H]1CCC(=O)NC1=O ZINC001126270646 775369408 /nfs/dbraw/zinc/36/94/08/775369408.db2.gz XBODSCLDWNOMQS-VIFPVBQESA-N 0 3 294.315 -1.821 20 0 CAADHN CC[C@H](NC[C@@H](C)N(C)C(=O)CC(N)=O)C(N)=O ZINC001268055291 775369494 /nfs/dbraw/zinc/36/94/94/775369494.db2.gz OAMOZACTSSNBKP-SFYZADRCSA-N 0 3 258.322 -1.438 20 0 CAADHN O=C(CCn1ccnn1)NCCN[C@@H]1CCCNC1=O ZINC001126270386 775369787 /nfs/dbraw/zinc/36/97/87/775369787.db2.gz KRNMXQMAZVVNJS-SNVBAGLBSA-N 0 3 280.332 -1.347 20 0 CAADHN CCN1CCC[C@H](NS(=O)(=O)N2CCNCC2)C1=O ZINC000722351183 775370155 /nfs/dbraw/zinc/37/01/55/775370155.db2.gz OYRPMIORINZFGD-JTQLQIEISA-N 0 3 290.389 -1.263 20 0 CAADHN CC[C@@H](NC[C@H](C)N(C)C(=O)CC(N)=O)C(N)=O ZINC001268055290 775370214 /nfs/dbraw/zinc/37/02/14/775370214.db2.gz OAMOZACTSSNBKP-JGVFFNPUSA-N 0 3 258.322 -1.438 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1ccnn1)C(=O)N(C)C ZINC001126281676 775370641 /nfs/dbraw/zinc/37/06/41/775370641.db2.gz OPPJMFWAOVARMF-SNVBAGLBSA-N 0 3 282.348 -1.149 20 0 CAADHN CC[C@@H](NC[C@@H](C)N(C)C(=O)CC(N)=O)C(N)=O ZINC001268055279 775370848 /nfs/dbraw/zinc/37/08/48/775370848.db2.gz OAMOZACTSSNBKP-HTQZYQBOSA-N 0 3 258.322 -1.438 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)N1CCNC2(CC2)C1 ZINC001161550882 775371029 /nfs/dbraw/zinc/37/10/29/775371029.db2.gz SMNWTYSRSVBBLB-JTQLQIEISA-N 0 3 266.345 -1.100 20 0 CAADHN CCN1CCC[C@@H](NS(=O)(=O)N2CCNCC2)C1=O ZINC000722351184 775371060 /nfs/dbraw/zinc/37/10/60/775371060.db2.gz OYRPMIORINZFGD-SNVBAGLBSA-N 0 3 290.389 -1.263 20 0 CAADHN CC[C@H](NC[C@H](C)N(C)C(=O)CC(N)=O)C(N)=O ZINC001268055292 775371133 /nfs/dbraw/zinc/37/11/33/775371133.db2.gz OAMOZACTSSNBKP-YUMQZZPRSA-N 0 3 258.322 -1.438 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@H]2CCCN(C)C2=O)C1 ZINC001126287101 775371498 /nfs/dbraw/zinc/37/14/98/775371498.db2.gz AECCCVDYYRPXMZ-LBPRGKRZSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)N1CC(C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001126287479 775371631 /nfs/dbraw/zinc/37/16/31/775371631.db2.gz KHMGMWVSQIMUHS-UHFFFAOYSA-N 0 3 285.304 -2.635 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1 ZINC001126287098 775371748 /nfs/dbraw/zinc/37/17/48/775371748.db2.gz AECCCVDYYRPXMZ-GFCCVEGCSA-N 0 3 296.371 -1.209 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001126287134 775372770 /nfs/dbraw/zinc/37/27/70/775372770.db2.gz BARGTVDCNBQGLQ-JTQLQIEISA-N 0 3 296.327 -2.024 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C1CN(C(C)=O)C1 ZINC001126287113 775372910 /nfs/dbraw/zinc/37/29/10/775372910.db2.gz ANGRDAYBQLDXCN-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C(C)(C)C(N)=O ZINC001268067127 775373011 /nfs/dbraw/zinc/37/30/11/775373011.db2.gz CHKGCULEZAHCDB-YUMQZZPRSA-N 0 3 272.349 -1.192 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1cnn(C)c1N ZINC001268058922 775373314 /nfs/dbraw/zinc/37/33/14/775373314.db2.gz ICIFLNLMGNENNG-SSDOTTSWSA-N 0 3 268.321 -1.462 20 0 CAADHN CC(=O)N1CC(C(=O)NCCNCC(=O)NCC2CC2)C1 ZINC001126288034 775374859 /nfs/dbraw/zinc/37/48/59/775374859.db2.gz ZYULRPYXTGKXEL-UHFFFAOYSA-N 0 3 296.371 -1.303 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N(C)[C@@H](C)CNCC(N)=O ZINC001268079267 775375220 /nfs/dbraw/zinc/37/52/20/775375220.db2.gz QZIOOPZIXYSNLJ-YUMQZZPRSA-N 0 3 258.322 -1.580 20 0 CAADHN C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001268080739 775375370 /nfs/dbraw/zinc/37/53/70/775375370.db2.gz MCDGUMWARQQHOJ-BDAKNGLRSA-N 0 3 282.344 -1.423 20 0 CAADHN CC[C@H](NCCNC(=O)C1CN(C(C)=O)C1)C(N)=O ZINC001126297150 775375769 /nfs/dbraw/zinc/37/57/69/775375769.db2.gz GDSONSRDFGIYCS-JTQLQIEISA-N 0 3 270.333 -1.566 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)c2cc(=O)n(C)o2)C1=O ZINC001126297231 775375895 /nfs/dbraw/zinc/37/58/95/775375895.db2.gz JBXAYQDXYXPMOR-SECBINFHSA-N 0 3 296.327 -1.082 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@H]2CCN(C)C2=O)C1 ZINC001126297328 775376237 /nfs/dbraw/zinc/37/62/37/775376237.db2.gz MWWRQTNRZMQDTC-NSHDSACASA-N 0 3 282.344 -1.599 20 0 CAADHN C[C@H](NCCNC(=O)c1cc(=O)n(C)o1)C(N)=O ZINC001126297471 775376655 /nfs/dbraw/zinc/37/66/55/775376655.db2.gz UUEIBVPKSRWVTP-LURJTMIESA-N 0 3 256.262 -1.829 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(=O)n(C)o1 ZINC001126297434 775376858 /nfs/dbraw/zinc/37/68/58/775376858.db2.gz RYFNLWRKTDEPRR-UHFFFAOYSA-N 0 3 256.262 -1.956 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C1CN(C(C)=O)C1 ZINC001126292818 775376912 /nfs/dbraw/zinc/37/69/12/775376912.db2.gz ZGKCLBBETDZOTH-QMMMGPOBSA-N 0 3 270.333 -1.695 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C1CN(C(C)=O)C1 ZINC001126292816 775377257 /nfs/dbraw/zinc/37/72/57/775377257.db2.gz ZGKCLBBETDZOTH-MRVPVSSYSA-N 0 3 270.333 -1.695 20 0 CAADHN CC(=O)N1CC(C(=O)NCCN[C@H](C)C(=O)N(C)C)C1 ZINC001126297269 775377327 /nfs/dbraw/zinc/37/73/27/775377327.db2.gz KUAOYBADHCHWQH-SECBINFHSA-N 0 3 284.360 -1.353 20 0 CAADHN C[C@H](NCCNC(=O)c1cc(=O)n(C)o1)C(=O)N(C)C ZINC001126297153 775377437 /nfs/dbraw/zinc/37/74/37/775377437.db2.gz GEVGPUHHKYHAJZ-QMMMGPOBSA-N 0 3 284.316 -1.226 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc(=O)n(C)o1)C(=O)NC(N)=O ZINC001126307345 775377636 /nfs/dbraw/zinc/37/76/36/775377636.db2.gz RYYWSXURTHQMLK-ZCFIWIBFSA-N 0 3 299.287 -2.119 20 0 CAADHN C[C@H](NCCNC(=O)c1cc(=O)n(C)o1)C(=O)NC(N)=O ZINC001126307341 775378526 /nfs/dbraw/zinc/37/85/26/775378526.db2.gz RYYWSXURTHQMLK-LURJTMIESA-N 0 3 299.287 -2.119 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cc(=O)n(C)o2)C1=O ZINC001126301880 775378639 /nfs/dbraw/zinc/37/86/39/775378639.db2.gz JTYSHVFZVTYMRP-QMMMGPOBSA-N 0 3 282.300 -1.472 20 0 CAADHN C[C@H](NCCNC(=O)c1cc(=O)n(C)o1)C(=O)NC1CC1 ZINC001126306409 775378955 /nfs/dbraw/zinc/37/89/55/775378955.db2.gz GBKGKWVGBMOWTR-QMMMGPOBSA-N 0 3 296.327 -1.035 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1ccn(C)n1 ZINC001268099807 775379424 /nfs/dbraw/zinc/37/94/24/775379424.db2.gz IURQFZIVXSPSIS-QMMMGPOBSA-N 0 3 253.306 -1.045 20 0 CAADHN COC1(CC(=O)NCCNCC(=O)NC(N)=O)CCC1 ZINC001126318081 775380402 /nfs/dbraw/zinc/38/04/02/775380402.db2.gz ZGPAHCSAUAIBQZ-UHFFFAOYSA-N 0 3 286.332 -1.154 20 0 CAADHN CC(C)[C@H](CNC(=O)C(N)=O)NCCS(C)(=O)=O ZINC001268216752 775383614 /nfs/dbraw/zinc/38/36/14/775383614.db2.gz NJLMIMILFXSEMZ-QMMMGPOBSA-N 0 3 279.362 -1.753 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@]1(C)CCNC1=O)C(C)C ZINC001268218007 775383389 /nfs/dbraw/zinc/38/33/89/775383389.db2.gz DSZDABFVAAUSGO-YGRLFVJLSA-N 0 3 298.387 -1.011 20 0 CAADHN CC(C)[C@H](CNC(=O)c1cn(C)nn1)NCC(N)=O ZINC001268207115 775383399 /nfs/dbraw/zinc/38/33/99/775383399.db2.gz DTLFRPOSLJMUOW-QMMMGPOBSA-N 0 3 268.321 -1.356 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@]1(C)CCNC1=O)C(C)C ZINC001268218006 775383776 /nfs/dbraw/zinc/38/37/76/775383776.db2.gz DSZDABFVAAUSGO-QMTHXVAHSA-N 0 3 298.387 -1.011 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)CC(N)=O)C(C)C ZINC001268206284 775383892 /nfs/dbraw/zinc/38/38/92/775383892.db2.gz WBZGNYLRWIAQGU-MRVPVSSYSA-N 0 3 258.322 -1.662 20 0 CAADHN CC(C)[C@H](CNC(=O)C(N)=O)N[C@H](C)C(=O)NC1CC1 ZINC001268217359 775384395 /nfs/dbraw/zinc/38/43/95/775384395.db2.gz VHCWSQGLTAJEJN-SCZZXKLOSA-N 0 3 284.360 -1.131 20 0 CAADHN C[C@H]1CCCN(C(=O)CC(N)=O)[C@H]1CNCC(N)=O ZINC001268189396 775384482 /nfs/dbraw/zinc/38/44/82/775384482.db2.gz UWYAYLOAZFJFGE-IUCAKERBSA-N 0 3 270.333 -1.436 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)CC(N)=O)C(C)C ZINC001268206285 775384943 /nfs/dbraw/zinc/38/49/43/775384943.db2.gz WBZGNYLRWIAQGU-QMMMGPOBSA-N 0 3 258.322 -1.662 20 0 CAADHN CC(C)[C@@H](CNC(=O)C(N)=O)NCCS(C)(=O)=O ZINC001268216746 775384961 /nfs/dbraw/zinc/38/49/61/775384961.db2.gz NJLMIMILFXSEMZ-MRVPVSSYSA-N 0 3 279.362 -1.753 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001075618581 775390578 /nfs/dbraw/zinc/39/05/78/775390578.db2.gz ODYCQKMQHLBFKU-HBNTYKKESA-N 0 3 267.329 -1.210 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccc(F)nc1 ZINC001268295275 775392089 /nfs/dbraw/zinc/39/20/89/775392089.db2.gz CVDLGSOUEXAVEK-MRVPVSSYSA-N 0 3 270.264 -1.614 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)c1ccc[nH]1)C(N)=O ZINC001268296813 775392143 /nfs/dbraw/zinc/39/21/43/775392143.db2.gz CZXJEXLGCJBJLW-RKDXNWHRSA-N 0 3 268.317 -1.041 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C1CCOCC1 ZINC001268296221 775392253 /nfs/dbraw/zinc/39/22/53/775392253.db2.gz OIVPELVJJVMVTG-SECBINFHSA-N 0 3 259.306 -2.035 20 0 CAADHN CC(C)C(=O)NC[C@H](O)CNCCNS(C)(=O)=O ZINC001268297406 775392817 /nfs/dbraw/zinc/39/28/17/775392817.db2.gz FKKDKTNCLBNUEB-SECBINFHSA-N 0 3 281.378 -1.742 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1CCOCC1 ZINC001268296224 775393386 /nfs/dbraw/zinc/39/33/86/775393386.db2.gz OIVPELVJJVMVTG-VIFPVBQESA-N 0 3 259.306 -2.035 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O)C1CCC1 ZINC001268295593 775393444 /nfs/dbraw/zinc/39/34/44/775393444.db2.gz VCDYYZVFRCVHAI-NXEZZACHSA-N 0 3 283.328 -1.342 20 0 CAADHN COCC(=O)NC[C@H](O)CN[C@H]1CCN(C)C1=O ZINC001268295281 775393560 /nfs/dbraw/zinc/39/35/60/775393560.db2.gz RLHHYDBLYBLQPH-BDAKNGLRSA-N 0 3 259.306 -2.070 20 0 CAADHN CN1CC[C@H](NC[C@H](O)CNC(=O)CC(N)=O)C1=O ZINC001268301086 775393979 /nfs/dbraw/zinc/39/39/79/775393979.db2.gz WUCAPVZIHQIXSX-YUMQZZPRSA-N 0 3 272.305 -2.841 20 0 CAADHN CN1CC[C@H](NC[C@@H](O)CNC(=O)C(=O)C(C)(C)C)C1=O ZINC001268300625 775394147 /nfs/dbraw/zinc/39/41/47/775394147.db2.gz VPWXGZOUMXSWAH-ZJUUUORDSA-N 0 3 299.371 -1.101 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)C(=O)C(C)(C)C)C1=O ZINC001268300617 775394378 /nfs/dbraw/zinc/39/43/78/775394378.db2.gz VPWXGZOUMXSWAH-NXEZZACHSA-N 0 3 299.371 -1.101 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1cn[nH]c1 ZINC001268300701 775394810 /nfs/dbraw/zinc/39/48/10/775394810.db2.gz QMDJECMNUOETJP-RKDXNWHRSA-N 0 3 267.289 -2.022 20 0 CAADHN CN1CC[C@@H](NC[C@H](O)CNC(=O)CC(N)=O)C1=O ZINC001268301084 775394874 /nfs/dbraw/zinc/39/48/74/775394874.db2.gz WUCAPVZIHQIXSX-JGVFFNPUSA-N 0 3 272.305 -2.841 20 0 CAADHN CN1CC[C@@H](NC[C@@H](O)CNC(=O)CC(N)=O)C1=O ZINC001268301083 775394935 /nfs/dbraw/zinc/39/49/35/775394935.db2.gz WUCAPVZIHQIXSX-HTQZYQBOSA-N 0 3 272.305 -2.841 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)/C=C\c1ccc[nH]1 ZINC001268304541 775394962 /nfs/dbraw/zinc/39/49/62/775394962.db2.gz OCNORHWFFYSTDN-WYGGZMRJSA-N 0 3 280.328 -1.159 20 0 CAADHN CCCOCC(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001268302259 775395302 /nfs/dbraw/zinc/39/53/02/775395302.db2.gz WNFMJJOMKJXPQP-ZJUUUORDSA-N 0 3 273.333 -1.632 20 0 CAADHN CC1(C(=O)NC[C@@H](O)CN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001268308886 775396226 /nfs/dbraw/zinc/39/62/26/775396226.db2.gz SKMXLMXSUPNJRO-DTWKUNHWSA-N 0 3 283.328 -1.342 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCc1c[nH]cn1 ZINC001268308178 775396750 /nfs/dbraw/zinc/39/67/50/775396750.db2.gz YGNAHPMJEGVKKU-SECBINFHSA-N 0 3 269.305 -2.106 20 0 CAADHN CC[C@@]1(C(=O)NC[C@@H](O)CNCCF)CCNC1=O ZINC001268307551 775398245 /nfs/dbraw/zinc/39/82/45/775398245.db2.gz HKPYWYHFVIRMGV-JOYOIKCWSA-N 0 3 275.324 -1.061 20 0 CAADHN CCNC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)C(N)=O ZINC001268311702 775399513 /nfs/dbraw/zinc/39/95/13/775399513.db2.gz NNVIDYCRTNFWOL-MRVPVSSYSA-N 0 3 288.348 -2.299 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)C1(CCF)CC1 ZINC001268318371 775401200 /nfs/dbraw/zinc/40/12/00/775401200.db2.gz PQMNKFJCLQUROB-QMMMGPOBSA-N 0 3 261.297 -1.322 20 0 CAADHN C[C@]1(C(=O)NC[C@@H](O)CNCCF)CCC(=O)NC1 ZINC001268321585 775401662 /nfs/dbraw/zinc/40/16/62/775401662.db2.gz UCVCVRMUVFXJQK-CABZTGNLSA-N 0 3 275.324 -1.061 20 0 CAADHN Cc1cc(CNC[C@@H](O)CNC(=O)C(N)=O)sn1 ZINC001268324683 775402992 /nfs/dbraw/zinc/40/29/92/775402992.db2.gz WELBBCTVXFGYDW-SSDOTTSWSA-N 0 3 272.330 -1.496 20 0 CAADHN NC(=O)C1(C(=O)NC[C@@H](O)CNCC(=O)NC2CC2)CC1 ZINC001268322571 775403057 /nfs/dbraw/zinc/40/30/57/775403057.db2.gz MNOUBORFVCOGOW-VIFPVBQESA-N 0 3 298.343 -2.403 20 0 CAADHN CCN1CC[C@@H](NC[C@H](O)CNC(=O)C(N)=O)C1=O ZINC001268325183 775403655 /nfs/dbraw/zinc/40/36/55/775403655.db2.gz ZEURKBMXGFBPJG-JGVFFNPUSA-N 0 3 272.305 -2.841 20 0 CAADHN Cc1cc(CNC[C@H](O)CNC(=O)C(N)=O)sn1 ZINC001268324684 775403671 /nfs/dbraw/zinc/40/36/71/775403671.db2.gz WELBBCTVXFGYDW-ZETCQYMHSA-N 0 3 272.330 -1.496 20 0 CAADHN CNC(=O)CNC[C@H](O)CNC(=O)CC(C)(F)F ZINC001268322519 775403730 /nfs/dbraw/zinc/40/37/30/775403730.db2.gz KETZYTPLUVCBNY-ZETCQYMHSA-N 0 3 267.276 -1.156 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)C(C1CC1)C1CC1 ZINC001268327582 775403841 /nfs/dbraw/zinc/40/38/41/775403841.db2.gz JMCLCHAZSFWVED-SNVBAGLBSA-N 0 3 269.345 -1.025 20 0 CAADHN CS(=O)(=O)CCCNC/C=C\CNC(=O)C(N)=O ZINC001268586884 775439214 /nfs/dbraw/zinc/43/92/14/775439214.db2.gz XZEAZMJKRIUHMD-IHWYPQMZSA-N 0 3 277.346 -1.832 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1ccn(C)n1)C(N)=O ZINC001268336757 775406240 /nfs/dbraw/zinc/40/62/40/775406240.db2.gz WBXLMQLBKFSFAW-SFYZADRCSA-N 0 3 269.305 -2.026 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)c1ccn(C)n1)C(N)=O ZINC001268336755 775407071 /nfs/dbraw/zinc/40/70/71/775407071.db2.gz WBXLMQLBKFSFAW-JGVFFNPUSA-N 0 3 269.305 -2.026 20 0 CAADHN Cn1cc(C(=O)NC[C@H](O)CNCCF)c(=O)[nH]c1=O ZINC001268333939 775407200 /nfs/dbraw/zinc/40/72/00/775407200.db2.gz AJICMNHEKHAWON-SSDOTTSWSA-N 0 3 288.279 -1.864 20 0 CAADHN Cn1cc(C(=O)NC[C@@H](O)CNCCF)c(=O)[nH]c1=O ZINC001268333956 775407281 /nfs/dbraw/zinc/40/72/81/775407281.db2.gz AJICMNHEKHAWON-ZETCQYMHSA-N 0 3 288.279 -1.864 20 0 CAADHN Cc1cc(NC(=O)CNCC[C@@H](C)NC(=O)C(N)=O)no1 ZINC001268396895 775411171 /nfs/dbraw/zinc/41/11/71/775411171.db2.gz XWPVHQVCOWAHEL-SSDOTTSWSA-N 0 3 297.315 -1.109 20 0 CAADHN CCN(CCNCC(=O)N1CCC1)C(=O)CC(N)=O ZINC001268441382 775413542 /nfs/dbraw/zinc/41/35/42/775413542.db2.gz ZNMVGFDYUNGUQH-UHFFFAOYSA-N 0 3 270.333 -1.468 20 0 CAADHN CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)CC(N)=O ZINC001268440829 775413604 /nfs/dbraw/zinc/41/36/04/775413604.db2.gz OUDQTUPIGRYLHS-QMMMGPOBSA-N 0 3 284.316 -1.895 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)Cc1cc[nH]n1 ZINC001268442489 775414392 /nfs/dbraw/zinc/41/43/92/775414392.db2.gz DJQVCLJZIFRZCA-UHFFFAOYSA-N 0 3 296.331 -1.415 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)c1ccnn1C ZINC001268440360 775414694 /nfs/dbraw/zinc/41/46/94/775414694.db2.gz GESUWYWTWVPWDZ-UHFFFAOYSA-N 0 3 296.331 -1.333 20 0 CAADHN CCN(CCNCCNS(C)(=O)=O)C(C)=O ZINC001268429058 775414774 /nfs/dbraw/zinc/41/47/74/775414774.db2.gz LPMWXBRXCQNHBK-UHFFFAOYSA-N 0 3 251.352 -1.006 20 0 CAADHN NC(=O)CC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001075632953 775415162 /nfs/dbraw/zinc/41/51/62/775415162.db2.gz WILOECKIKRTWBO-IVZWLZJFSA-N 0 3 280.328 -1.717 20 0 CAADHN CN1CC[C@H](N2C[C@@H]3CCN(C(=O)CC(N)=O)[C@@H]3C2)C1=O ZINC001075631658 775416168 /nfs/dbraw/zinc/41/61/68/775416168.db2.gz NKBOTQDTFBTNJW-GARJFASQSA-N 0 3 294.355 -1.375 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001268459540 775418591 /nfs/dbraw/zinc/41/85/91/775418591.db2.gz DUCFBXVJGSUTQE-SNVBAGLBSA-N 0 3 284.360 -1.222 20 0 CAADHN CCNC(=O)CNCCN(CC)C(=O)c1c[nH]c(=O)cn1 ZINC001268474525 775419650 /nfs/dbraw/zinc/41/96/50/775419650.db2.gz RPKGKJVDJZFRGG-UHFFFAOYSA-N 0 3 295.343 -1.042 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CCNC1=O ZINC001268470044 775419690 /nfs/dbraw/zinc/41/96/90/775419690.db2.gz SCQAPRFZTPACIB-MRVPVSSYSA-N 0 3 256.306 -1.954 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CCNC1=O ZINC001268470045 775420138 /nfs/dbraw/zinc/42/01/38/775420138.db2.gz SCQAPRFZTPACIB-QMMMGPOBSA-N 0 3 256.306 -1.954 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)C1CC(=O)NC(=O)C1 ZINC001268486454 775421411 /nfs/dbraw/zinc/42/14/11/775421411.db2.gz ZRBUHOQIUOYNHQ-UHFFFAOYSA-N 0 3 284.316 -2.037 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)c1nc[nH]n1 ZINC001268489667 775422220 /nfs/dbraw/zinc/42/22/20/775422220.db2.gz MKMOVLWBQDAQTH-ZETCQYMHSA-N 0 3 254.294 -1.270 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)C1(C(=O)NC)CC1 ZINC001268486146 775422513 /nfs/dbraw/zinc/42/25/13/775422513.db2.gz NPBHDJQXEQQDHD-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CCN1CCOCC1 ZINC001268488809 775422604 /nfs/dbraw/zinc/42/26/04/775422604.db2.gz FNAVGDSQFPXRLX-UHFFFAOYSA-N 0 3 286.376 -1.368 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)C[C@H]1CC(=O)NC1=O ZINC001268503934 775423583 /nfs/dbraw/zinc/42/35/83/775423583.db2.gz XLMSCWYGOCIFLM-MRVPVSSYSA-N 0 3 284.316 -2.037 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1ccc(=O)n(C)n1 ZINC001268496208 775424248 /nfs/dbraw/zinc/42/42/48/775424248.db2.gz ALFHVUBJTRFJQP-UHFFFAOYSA-N 0 3 281.316 -1.683 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)[C@@H]1CCC(=O)N1 ZINC001268492078 775424488 /nfs/dbraw/zinc/42/44/88/775424488.db2.gz BOIDOPORRNLKAO-QMMMGPOBSA-N 0 3 299.331 -2.102 20 0 CAADHN CCN(CCN[C@H](C)C(N)=O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268502975 775424648 /nfs/dbraw/zinc/42/46/48/775424648.db2.gz NPOXFAORSRDNJL-BDAKNGLRSA-N 0 3 298.343 -1.649 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)C[C@@H]1CC(=O)NC1=O ZINC001268502590 775424739 /nfs/dbraw/zinc/42/47/39/775424739.db2.gz KYKMBWHNVPMGGH-VIFPVBQESA-N 0 3 298.343 -1.777 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CN(CC)CCO1 ZINC001268500996 775424746 /nfs/dbraw/zinc/42/47/46/775424746.db2.gz UDLSWIPQDAYJIM-NSHDSACASA-N 0 3 286.376 -1.370 20 0 CAADHN CN1CCO[C@@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)C1 ZINC001075643643 775425076 /nfs/dbraw/zinc/42/50/76/775425076.db2.gz GJESPICCRWEUFG-YNEHKIRRSA-N 0 3 283.372 -1.158 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001214058550 775425390 /nfs/dbraw/zinc/42/53/90/775425390.db2.gz BDBVHWQTEKNKFK-DVVUODLYSA-N 0 3 282.344 -1.553 20 0 CAADHN C[C@H](NC/C=C/CNC(=O)[C@H]1CCOC1)C(=O)NC(N)=O ZINC001268520453 775426214 /nfs/dbraw/zinc/42/62/14/775426214.db2.gz ASPILSNFJYKWRT-AQHVTNBVSA-N 0 3 298.343 -1.132 20 0 CAADHN CCC(=O)NCC(=O)NC/C=C/CN[C@H](C)C(N)=O ZINC001268521715 775427517 /nfs/dbraw/zinc/42/75/17/775427517.db2.gz IKMBFDDXEUVIFR-XNPJLODASA-N 0 3 270.333 -1.352 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)CC(N)=O)C(=O)N(C)C ZINC001268522775 775427523 /nfs/dbraw/zinc/42/75/23/775427523.db2.gz KJJSWBWQRNLNNP-WBSSQXGSSA-N 0 3 270.333 -1.400 20 0 CAADHN CNC(=O)CNC/C=C\CNC(=O)[C@@H]1CN(C)CCO1 ZINC001268522385 775427553 /nfs/dbraw/zinc/42/75/53/775427553.db2.gz RMRPYRVZJYVKJV-BYCRGOAPSA-N 0 3 284.360 -1.675 20 0 CAADHN CNC(=O)CNC/C=C/CNC(=O)[C@H]1CN(C)CCO1 ZINC001268522396 775428534 /nfs/dbraw/zinc/42/85/34/775428534.db2.gz RMRPYRVZJYVKJV-PGLGOXFNSA-N 0 3 284.360 -1.675 20 0 CAADHN CC(=O)N(C)CC(=O)NCC1CN(C[C@H](C)O)C1 ZINC001268548012 775429547 /nfs/dbraw/zinc/42/95/47/775429547.db2.gz XWWFHSOEAAVNLD-VIFPVBQESA-N 0 3 257.334 -1.107 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CN(CCC2CC2)C[C@@H]1O ZINC001083329840 775431494 /nfs/dbraw/zinc/43/14/94/775431494.db2.gz WSBZYAIOLDLXPF-MNOVXSKESA-N 0 3 280.332 -1.366 20 0 CAADHN C[C@H](NC/C=C\CNC(=O)Cn1ncn(C)c1=O)C(N)=O ZINC001268560484 775432083 /nfs/dbraw/zinc/43/20/83/775432083.db2.gz XOISUSODCSHTDH-TYRPZCRBSA-N 0 3 296.331 -2.282 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001268573116 775434846 /nfs/dbraw/zinc/43/48/46/775434846.db2.gz DWWDQQXMRKAXJL-NDVXOHMPSA-N 0 3 297.359 -1.594 20 0 CAADHN CC[C@H](NC/C=C/CNC(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001268576978 775435037 /nfs/dbraw/zinc/43/50/37/775435037.db2.gz XYNNWDZBIPGECU-OCIBVNFRSA-N 0 3 297.359 -1.464 20 0 CAADHN CCCN1C[C@@H](NC(=O)CNC(N)=O)[C@H](OC)C1 ZINC001211825419 775436222 /nfs/dbraw/zinc/43/62/22/775436222.db2.gz MSPWODNULSMUQZ-RKDXNWHRSA-N 0 3 258.322 -1.120 20 0 CAADHN COCCCN1C[C@@H](NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001211822511 775436364 /nfs/dbraw/zinc/43/63/64/775436364.db2.gz DZZBWWXWTDCLLA-GHMZBOCLSA-N 0 3 298.347 -1.475 20 0 CAADHN CC[C@@H](NC/C=C\CNC(=O)C1(C(N)=O)CC1)C(N)=O ZINC001268585273 775437154 /nfs/dbraw/zinc/43/71/54/775437154.db2.gz NMRNPRWUFPYHTN-ZBJFTSOASA-N 0 3 282.344 -1.222 20 0 CAADHN CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001268590886 775439715 /nfs/dbraw/zinc/43/97/15/775439715.db2.gz KJBQHFOVEGUXML-VUCKIDGMSA-N 0 3 282.344 -1.496 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C/CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001268590887 775439981 /nfs/dbraw/zinc/43/99/81/775439981.db2.gz KJBQHFOVEGUXML-XWUSIBNTSA-N 0 3 282.344 -1.496 20 0 CAADHN CNC(=O)[C@@H](C)NC/C=C\CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001268590885 775440566 /nfs/dbraw/zinc/44/05/66/775440566.db2.gz KJBQHFOVEGUXML-MPKXJLSVSA-N 0 3 282.344 -1.496 20 0 CAADHN CN1CCC[C@@H]1C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083372819 775452388 /nfs/dbraw/zinc/45/23/88/775452388.db2.gz GHNDHFUJETVPLZ-MXWKQRLJSA-N 0 3 257.334 -1.766 20 0 CAADHN COCCN1C[C@@H](NC(=O)[C@@H]2CCCN2C)[C@@H](O)C1 ZINC001083373025 775452722 /nfs/dbraw/zinc/45/27/22/775452722.db2.gz ONFAPMSIOGQQLK-WOPDTQHZSA-N 0 3 271.361 -1.112 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083373061 775452753 /nfs/dbraw/zinc/45/27/53/775452753.db2.gz QECVFUVIIMIZIB-BBBLOLIVSA-N 0 3 255.318 -1.164 20 0 CAADHN CN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001083372956 775453113 /nfs/dbraw/zinc/45/31/13/775453113.db2.gz MHSRHEQNXTVSGU-WOPDTQHZSA-N 0 3 271.361 -1.376 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@H]2CCC(=O)N2)[C@@H](O)C1 ZINC001083372049 775453286 /nfs/dbraw/zinc/45/32/86/775453286.db2.gz YSFYUSHRRIGWFV-BBBLOLIVSA-N 0 3 255.318 -1.165 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001083385263 775454907 /nfs/dbraw/zinc/45/49/07/775454907.db2.gz IXDMPFXXLOFDBF-WOPDTQHZSA-N 0 3 271.361 -1.113 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H]2CN(C)CCO2)[C@@H](O)C1 ZINC001083385446 775455805 /nfs/dbraw/zinc/45/58/05/775455805.db2.gz OFJBQAIBOHPKPL-WOPDTQHZSA-N 0 3 271.361 -1.112 20 0 CAADHN O=C(Cn1cncn1)NC/C=C/CN[C@H]1CCCNC1=O ZINC001268618226 775459171 /nfs/dbraw/zinc/45/91/71/775459171.db2.gz DVAIDYDPFOZAKT-GXFZAYBSSA-N 0 3 292.343 -1.181 20 0 CAADHN CN1CC[C@@H](NC/C=C/CNC(=O)CCNC(N)=O)C1=O ZINC001268623939 775459306 /nfs/dbraw/zinc/45/93/06/775459306.db2.gz URDAMNGRRORCSM-VMZHVLLKSA-N 0 3 297.359 -1.463 20 0 CAADHN O=C(Cn1cncn1)NC/C=C\CN[C@@H]1CCCNC1=O ZINC001268618227 775459365 /nfs/dbraw/zinc/45/93/65/775459365.db2.gz DVAIDYDPFOZAKT-RFMOXSJOSA-N 0 3 292.343 -1.181 20 0 CAADHN CC[C@H](C(=O)N[C@H](C)CNC(=O)CC(N)=O)N(C)C ZINC001284213814 775459467 /nfs/dbraw/zinc/45/94/67/775459467.db2.gz PBBOQPGDVXBFPD-RKDXNWHRSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](C)CNC(=O)CC(N)=O)N(C)C ZINC001284213813 775459921 /nfs/dbraw/zinc/45/99/21/775459921.db2.gz PBBOQPGDVXBFPD-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN COCCC(=O)N[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001268635475 775460706 /nfs/dbraw/zinc/46/07/06/775460706.db2.gz CWPUPJNMPPGJBF-BDAKNGLRSA-N 0 3 271.317 -1.078 20 0 CAADHN Cc1cc(C(=O)N[C@H](C)CNCC(N)=O)cnn1 ZINC001268641961 775460761 /nfs/dbraw/zinc/46/07/61/775460761.db2.gz MDGCURZTTGJAEQ-MRVPVSSYSA-N 0 3 251.290 -1.022 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)Cc1cc[nH]n1 ZINC001268642723 775460820 /nfs/dbraw/zinc/46/08/20/775460820.db2.gz UBYRMFAOBDUHTQ-SCZZXKLOSA-N 0 3 293.327 -1.148 20 0 CAADHN C[C@H](CNCc1ccnn1C)NC(=O)CC(N)=O ZINC001268639432 775460855 /nfs/dbraw/zinc/46/08/55/775460855.db2.gz JDFVPRSCQNSNEO-MRVPVSSYSA-N 0 3 253.306 -1.110 20 0 CAADHN Cn1nccc1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001126392897 775460871 /nfs/dbraw/zinc/46/08/71/775460871.db2.gz CREFLTUILZTVNG-SNVBAGLBSA-N 0 3 265.317 -1.443 20 0 CAADHN COCC(=O)N[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001268632053 775460945 /nfs/dbraw/zinc/46/09/45/775460945.db2.gz FOEVNCDONRCHSC-HTQZYQBOSA-N 0 3 257.290 -1.468 20 0 CAADHN CCNC(=O)CNC[C@@H](C)NC(=O)c1cnnn1C ZINC001268644429 775461036 /nfs/dbraw/zinc/46/10/36/775461036.db2.gz ZOGKXJNORUSFKJ-MRVPVSSYSA-N 0 3 268.321 -1.341 20 0 CAADHN Cc1cc(CC(=O)N[C@@H]2CN(CCCO)C[C@@H]2O)[nH]n1 ZINC001083400530 775461364 /nfs/dbraw/zinc/46/13/64/775461364.db2.gz TWKNDGPQHAAJHX-NEPJUHHUSA-N 0 3 282.344 -1.196 20 0 CAADHN C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)Cc1cc[nH]n1 ZINC001268642721 775461622 /nfs/dbraw/zinc/46/16/22/775461622.db2.gz UBYRMFAOBDUHTQ-PSASIEDQSA-N 0 3 293.327 -1.148 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](C)NC(=O)CC(N)=O)C1=O ZINC001268642544 775461867 /nfs/dbraw/zinc/46/18/67/775461867.db2.gz SKZOPYSXOMSGGO-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCNC(=O)CC(=O)N[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001268641965 775461924 /nfs/dbraw/zinc/46/19/24/775461924.db2.gz MGTRZOCWJWJCMF-RKDXNWHRSA-N 0 3 298.343 -1.588 20 0 CAADHN Cn1nccc1CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001126393180 775462012 /nfs/dbraw/zinc/46/20/12/775462012.db2.gz MMVWSOLFBXDUSC-LLVKDONJSA-N 0 3 279.344 -1.053 20 0 CAADHN CCN1CC[C@H](NC[C@@H](C)NC(=O)CC(N)=O)C1=O ZINC001268642543 775462041 /nfs/dbraw/zinc/46/20/41/775462041.db2.gz SKZOPYSXOMSGGO-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)Cc1cnn(C)c1 ZINC001268639134 775462077 /nfs/dbraw/zinc/46/20/77/775462077.db2.gz FYCOABZHUKEEQV-MRVPVSSYSA-N 0 3 253.306 -1.458 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1ccnn1C ZINC001126393198 775462190 /nfs/dbraw/zinc/46/21/90/775462190.db2.gz NAKSWOKHJRTDQZ-UHFFFAOYSA-N 0 3 296.331 -1.876 20 0 CAADHN C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1C[C@@H]1C ZINC001268658532 775462561 /nfs/dbraw/zinc/46/25/61/775462561.db2.gz AZPWOTKJVNAOTJ-RNJXMRFFSA-N 0 3 256.306 -1.068 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)[C@H](C)NC(N)=O ZINC001268643483 775462583 /nfs/dbraw/zinc/46/25/83/775462583.db2.gz WFCFLISLRHXVFW-RQJHMYQMSA-N 0 3 259.310 -2.117 20 0 CAADHN C[C@H](CNCC(=O)N1CCC1)NC(=O)C(C)(C)C(N)=O ZINC001268648960 775462693 /nfs/dbraw/zinc/46/26/93/775462693.db2.gz DBCLSUQOWSLXHL-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)N[C@H](C)CNCC(N)=O ZINC001268646626 775462952 /nfs/dbraw/zinc/46/29/52/775462952.db2.gz GGQOUWOYIULOLI-SFYZADRCSA-N 0 3 258.322 -1.519 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)Cc1ccn(C)n1 ZINC001268646812 775462980 /nfs/dbraw/zinc/46/29/80/775462980.db2.gz ZKFYNHHPEITSBG-RKDXNWHRSA-N 0 3 267.333 -1.069 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001268657783 775463347 /nfs/dbraw/zinc/46/33/47/775463347.db2.gz IJOOROJMFHAFBO-KGDYZURWSA-N 0 3 255.318 -1.153 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)[C@H]1CCCC(=O)N1 ZINC001268650192 775463684 /nfs/dbraw/zinc/46/36/84/775463684.db2.gz ATLIPUVQXZYMRO-HTQZYQBOSA-N 0 3 256.306 -1.765 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)c1cccnn1 ZINC001268666706 775464351 /nfs/dbraw/zinc/46/43/51/775464351.db2.gz CZJKAJMJNNOVQR-MRVPVSSYSA-N 0 3 251.290 -1.070 20 0 CAADHN CNC(=O)CNC[C@@H](C)NC(=O)Cc1cncn1C ZINC001268668771 775464441 /nfs/dbraw/zinc/46/44/41/775464441.db2.gz BPCPWOJOGNGIPJ-SECBINFHSA-N 0 3 267.333 -1.197 20 0 CAADHN C[C@H](CN[C@@H](C)C(N)=O)NC(=O)Cn1cncn1 ZINC001268672181 775464480 /nfs/dbraw/zinc/46/44/80/775464480.db2.gz XJXMBCVZWKKEPE-SFYZADRCSA-N 0 3 254.294 -1.754 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H](C)CN[C@@H]2CCN(C)C2=O)CC1 ZINC001268664393 775464610 /nfs/dbraw/zinc/46/46/10/775464610.db2.gz CTHUNHUKNJSXHB-NXEZZACHSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)C(=O)NCC1CC1 ZINC001268667821 775464996 /nfs/dbraw/zinc/46/49/96/775464996.db2.gz YMJJCBQCNZJAFV-KOLCDFICSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1ccncn1 ZINC001268667562 775465220 /nfs/dbraw/zinc/46/52/20/775465220.db2.gz YXUVVYUTUJKJBB-BDAKNGLRSA-N 0 3 291.311 -1.010 20 0 CAADHN C[C@H](CNCc1nc(=O)n(C)[nH]1)NC(=O)C1(C(N)=O)CC1 ZINC001268659817 775465316 /nfs/dbraw/zinc/46/53/16/775465316.db2.gz GRVSDKKKVQFDIX-SSDOTTSWSA-N 0 3 296.331 -2.032 20 0 CAADHN C[C@H](CN[C@H](C)C(=O)NCC(F)(F)F)NC(=O)C(N)=O ZINC001268660257 775465361 /nfs/dbraw/zinc/46/53/61/775465361.db2.gz JHDSOLJCAGLNJF-PHDIDXHHSA-N 0 3 298.265 -1.367 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)[C@@H]1CCC(=O)N1 ZINC001268671448 775465391 /nfs/dbraw/zinc/46/53/91/775465391.db2.gz SKLFPSOVYAFJCH-PRJMDXOYSA-N 0 3 256.306 -1.767 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)NC(=O)Cn1cncn1 ZINC001268672180 775465721 /nfs/dbraw/zinc/46/57/21/775465721.db2.gz XJXMBCVZWKKEPE-HTQZYQBOSA-N 0 3 254.294 -1.754 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1ccnn1C)C(N)=O ZINC001126397570 775466153 /nfs/dbraw/zinc/46/61/53/775466153.db2.gz BYHDFGIENPUXPA-MRVPVSSYSA-N 0 3 253.306 -1.458 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@]12C[C@H]1COC2 ZINC001268686950 775466174 /nfs/dbraw/zinc/46/61/74/775466174.db2.gz SXSXLZXDWSCVFL-AUTRQRHGSA-N 0 3 255.318 -1.137 20 0 CAADHN CO[C@@H](C)C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001268680101 775466262 /nfs/dbraw/zinc/46/62/62/775466262.db2.gz FPOCJYXKKXUWKV-BQBZGAKWSA-N 0 3 260.294 -1.690 20 0 CAADHN C[C@H](CNCC(N)=O)NC(=O)C[C@H]1CC(=O)NC1=O ZINC001268675968 775466402 /nfs/dbraw/zinc/46/64/02/775466402.db2.gz MFVNWWYOCGDXQP-RQJHMYQMSA-N 0 3 270.289 -2.381 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001268681801 775466464 /nfs/dbraw/zinc/46/64/64/775466464.db2.gz KKBRYBGTCKNQMS-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](CNCCN(C)S(C)(=O)=O)NC(=O)CC(N)=O ZINC001268682211 775466553 /nfs/dbraw/zinc/46/65/53/775466553.db2.gz KPZGLAGBBZRAKW-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@H](C)n1cncn1 ZINC001268681943 775466588 /nfs/dbraw/zinc/46/65/88/775466588.db2.gz LWWGCOJQTVFDTP-IUCAKERBSA-N 0 3 268.321 -1.321 20 0 CAADHN C[C@H](NCCNC(=O)Cc1ccnn1C)C(N)=O ZINC001126397571 775466792 /nfs/dbraw/zinc/46/67/92/775466792.db2.gz BYHDFGIENPUXPA-QMMMGPOBSA-N 0 3 253.306 -1.458 20 0 CAADHN C[C@@H](CNCC(N)=O)NC(=O)C1CS(=O)(=O)C1 ZINC001268687402 775466930 /nfs/dbraw/zinc/46/69/30/775466930.db2.gz QSAIVHPOXWDSNB-LURJTMIESA-N 0 3 263.319 -2.389 20 0 CAADHN C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)[C@H]1CCC(=O)N1 ZINC001268683373 775467012 /nfs/dbraw/zinc/46/70/12/775467012.db2.gz WHHKYEJISIJXNN-DJLDLDEBSA-N 0 3 268.317 -1.752 20 0 CAADHN CCn1nc(C)c(C(=O)N[C@H](C)CNCC(N)=O)n1 ZINC001268675942 775467085 /nfs/dbraw/zinc/46/70/85/775467085.db2.gz LUHKSJIINGQIOH-SSDOTTSWSA-N 0 3 268.321 -1.200 20 0 CAADHN COCCOCC(=O)N[C@@H](C)CN[C@H]1CCN(C)C1=O ZINC001268683693 775467099 /nfs/dbraw/zinc/46/70/99/775467099.db2.gz VHASKJLYSLPSNP-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1cnnn1C ZINC001268685183 775467326 /nfs/dbraw/zinc/46/73/26/775467326.db2.gz FDXMKGASOGFYKY-JGVFFNPUSA-N 0 3 294.315 -1.672 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)CS(C)(=O)=O ZINC001268680460 775467359 /nfs/dbraw/zinc/46/73/59/775467359.db2.gz NDKWMOGBHNSCFW-BQBZGAKWSA-N 0 3 265.335 -2.001 20 0 CAADHN CNC(=O)CNC[C@H](C)NC(=O)[C@@H](C)n1cncn1 ZINC001268681942 775467422 /nfs/dbraw/zinc/46/74/22/775467422.db2.gz LWWGCOJQTVFDTP-DTWKUNHWSA-N 0 3 268.321 -1.321 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1CCN(C)C1=O ZINC001268698886 775467925 /nfs/dbraw/zinc/46/79/25/775467925.db2.gz ANWVUSJQOFVHOE-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)c1nnn(C)n1 ZINC001268698963 775468147 /nfs/dbraw/zinc/46/81/47/775468147.db2.gz AQTANIKKSOTFSQ-BQBZGAKWSA-N 0 3 295.303 -2.277 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cc1ccnn1C ZINC001126397787 775468187 /nfs/dbraw/zinc/46/81/87/775468187.db2.gz IWNSJHXMPOXWEE-VIFPVBQESA-N 0 3 267.333 -1.197 20 0 CAADHN NC(=O)C(NC(=O)[C@H]1CNCc2ccccc21)C(N)=O ZINC000710084868 775468380 /nfs/dbraw/zinc/46/83/80/775468380.db2.gz ODNDXJYFGJRIEK-VIFPVBQESA-N 0 3 276.296 -1.671 20 0 CAADHN C[C@@H](CN[C@@H](C)C(=O)NCc1ccco1)NC(=O)C(N)=O ZINC001268700164 775468496 /nfs/dbraw/zinc/46/84/96/775468496.db2.gz FEQYJVLIAZAXDG-IUCAKERBSA-N 0 3 296.327 -1.136 20 0 CAADHN CCNC(=O)CNC[C@H](C)NC(=O)c1cnn(C)n1 ZINC001268709415 775469933 /nfs/dbraw/zinc/46/99/33/775469933.db2.gz SOPIWKFZRRCPSQ-QMMMGPOBSA-N 0 3 268.321 -1.341 20 0 CAADHN CCCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1CNC(=O)N1 ZINC001268701781 775470333 /nfs/dbraw/zinc/47/03/33/775470333.db2.gz GJSYEKKCONCWBG-VHSXEESVSA-N 0 3 299.375 -1.322 20 0 CAADHN COc1cncc(C(=O)N[C@@H](C)CNCC(N)=O)n1 ZINC001268707392 775470717 /nfs/dbraw/zinc/47/07/17/775470717.db2.gz PTSANBVKGGFBJK-ZETCQYMHSA-N 0 3 267.289 -1.322 20 0 CAADHN COC[C@H](O)CN(C)C[C@@H](C)NC(=O)C(C)(C)C(N)=O ZINC001268735751 775471606 /nfs/dbraw/zinc/47/16/06/775471606.db2.gz NYLIFMKKEJSCCU-NXEZZACHSA-N 0 3 289.376 -1.058 20 0 CAADHN C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)c1ccn(C)n1 ZINC001268715909 775472046 /nfs/dbraw/zinc/47/20/46/775472046.db2.gz SQCXHYZMZGAHEJ-DTWKUNHWSA-N 0 3 293.327 -1.067 20 0 CAADHN COC[C@H](O)CN(C)C[C@H](C)NC(=O)C(C)(C)C(N)=O ZINC001268735752 775472631 /nfs/dbraw/zinc/47/26/31/775472631.db2.gz NYLIFMKKEJSCCU-VHSXEESVSA-N 0 3 289.376 -1.058 20 0 CAADHN C[C@@H](CN(C)C[C@@H](O)Cn1cccn1)NC(=O)C(N)=O ZINC001268746374 775474293 /nfs/dbraw/zinc/47/42/93/775474293.db2.gz MJPXRUMZJRYSFG-VHSXEESVSA-N 0 3 283.332 -1.834 20 0 CAADHN C[C@@H](CN(C)C[C@H](O)Cn1cccn1)NC(=O)C(N)=O ZINC001268746373 775474637 /nfs/dbraw/zinc/47/46/37/775474637.db2.gz MJPXRUMZJRYSFG-UWVGGRQHSA-N 0 3 283.332 -1.834 20 0 CAADHN CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CC[C@H]2CN(C)C[C@H]21 ZINC001268871531 775478736 /nfs/dbraw/zinc/47/87/36/775478736.db2.gz SMUKUTFRWRRMNV-SDDRHHMPSA-N 0 3 296.371 -1.081 20 0 CAADHN COCCCN1CC(CNC(=O)CN2C(=O)CNC2=O)C1 ZINC001268905507 775479657 /nfs/dbraw/zinc/47/96/57/775479657.db2.gz CMJJDNZTDGOAOB-UHFFFAOYSA-N 0 3 298.343 -1.377 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001269038968 775484162 /nfs/dbraw/zinc/48/41/62/775484162.db2.gz MBRHOLSXFXWEQO-NSHDSACASA-N 0 3 297.359 -1.191 20 0 CAADHN CN1CCN(CCC(=O)N2C[C@H]3C[C@@]3(C(N)=O)C2)CC1 ZINC001269030303 775484694 /nfs/dbraw/zinc/48/46/94/775484694.db2.gz IEYWKKPEJWZBFL-BXUZGUMPSA-N 0 3 280.372 -1.042 20 0 CAADHN NC(=O)CNC[C@@H](NC(=O)c1ccn[nH]1)C1CC1 ZINC001269044684 775485593 /nfs/dbraw/zinc/48/55/93/775485593.db2.gz RXYLQSALNJPYBI-SECBINFHSA-N 0 3 251.290 -1.007 20 0 CAADHN COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001269056529 775488139 /nfs/dbraw/zinc/48/81/39/775488139.db2.gz FGBGQTCHCVVAQW-SRVKXCTJSA-N 0 3 299.371 -1.338 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)c1cn(C)nn1 ZINC001284402529 775488659 /nfs/dbraw/zinc/48/86/59/775488659.db2.gz QPMKAMNYUAEBRX-QMMMGPOBSA-N 0 3 259.285 -1.193 20 0 CAADHN Cn1cnc(C(=O)N[C@H](CNCC(N)=O)C2CC2)n1 ZINC001269066815 775488673 /nfs/dbraw/zinc/48/86/73/775488673.db2.gz MJTZNEUPQUWVNS-MRVPVSSYSA-N 0 3 266.305 -1.602 20 0 CAADHN CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CCCNC1=O)C1CC1 ZINC001269080036 775489393 /nfs/dbraw/zinc/48/93/93/775489393.db2.gz XBKGWWIUQRKEKT-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN CC[C@@H](NC[C@@H](NC(=O)C(N)=O)C1CC1)C(N)=O ZINC001269111867 775490270 /nfs/dbraw/zinc/49/02/70/775490270.db2.gz XHCFFOQUIKWQMP-HTQZYQBOSA-N 0 3 256.306 -1.780 20 0 CAADHN NC(=O)C(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001269110119 775490697 /nfs/dbraw/zinc/49/06/97/775490697.db2.gz KEKSPZVOOWZANG-YUMQZZPRSA-N 0 3 254.290 -2.155 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@H](CNCCF)C1CC1 ZINC001269099281 775490715 /nfs/dbraw/zinc/49/07/15/775490715.db2.gz KHERFIZGLPWWJZ-LLVKDONJSA-N 0 3 286.351 -1.128 20 0 CAADHN NC(=O)C(=O)N[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001269110114 775490891 /nfs/dbraw/zinc/49/08/91/775490891.db2.gz KEKSPZVOOWZANG-HTQZYQBOSA-N 0 3 254.290 -2.155 20 0 CAADHN CC(C)N1CC[C@@H](NC[C@H](NC(=O)C(N)=O)C2CC2)C1=O ZINC001269111440 775491018 /nfs/dbraw/zinc/49/10/18/775491018.db2.gz UGKYRWHCUSGNTF-MNOVXSKESA-N 0 3 296.371 -1.035 20 0 CAADHN NC(=O)Cn1cc(C(=O)N[C@@H](CNCCF)C2CC2)nn1 ZINC001269148594 775491928 /nfs/dbraw/zinc/49/19/28/775491928.db2.gz FTPNODWFJRXODT-VIFPVBQESA-N 0 3 298.322 -1.169 20 0 CAADHN NC(=O)Cn1cc(C(=O)N[C@H](CNCCF)C2CC2)nn1 ZINC001269148593 775492635 /nfs/dbraw/zinc/49/26/35/775492635.db2.gz FTPNODWFJRXODT-SECBINFHSA-N 0 3 298.322 -1.169 20 0 CAADHN CNC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001269179748 775493467 /nfs/dbraw/zinc/49/34/67/775493467.db2.gz IHQKLTTUXNOPLW-GHMZBOCLSA-N 0 3 296.371 -1.114 20 0 CAADHN NC(=O)NCCC(=O)N[C@@H]1CCN(CCCO)C1 ZINC001269193697 775495255 /nfs/dbraw/zinc/49/52/55/775495255.db2.gz QEWNMRRMRPHNIZ-SECBINFHSA-N 0 3 258.322 -1.382 20 0 CAADHN CNC(=O)C(=O)N1CCC[C@]12CCN(CCN(C)C)C2=O ZINC001269180519 775495776 /nfs/dbraw/zinc/49/57/76/775495776.db2.gz UIDZVAYBSYIHNN-CQSZACIVSA-N 0 3 296.371 -1.113 20 0 CAADHN CN(C[C@@H](O)CN[C@H]1CCNC1=O)C(=O)C(N)=O ZINC001284444534 775497247 /nfs/dbraw/zinc/49/72/47/775497247.db2.gz KZVMZYWDKWWBDZ-BQBZGAKWSA-N 0 3 258.278 -3.231 20 0 CAADHN CN(C[C@H](O)CNCC(=O)N(C)C1CC1)C(=O)C(N)=O ZINC001284443660 775497340 /nfs/dbraw/zinc/49/73/40/775497340.db2.gz DMUKVTMCPHEFNZ-SECBINFHSA-N 0 3 286.332 -2.499 20 0 CAADHN CN(C[C@@H](O)CNCC(=O)N(C)C1CC1)C(=O)C(N)=O ZINC001284443662 775498278 /nfs/dbraw/zinc/49/82/78/775498278.db2.gz DMUKVTMCPHEFNZ-VIFPVBQESA-N 0 3 286.332 -2.499 20 0 CAADHN C[C@@H](O)C(=O)N1CC2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001269258281 775498948 /nfs/dbraw/zinc/49/89/48/775498948.db2.gz ALMNDMVYSBWBLE-SNVBAGLBSA-N 0 3 285.344 -1.631 20 0 CAADHN C[C@@H](O)C(=O)N1CC[C@@]2(C1)CN(CCN(C)C)C(=O)CO2 ZINC001269258293 775499243 /nfs/dbraw/zinc/49/92/43/775499243.db2.gz APTLHGHUPLZZDP-RISCZKNCSA-N 0 3 299.371 -1.241 20 0 CAADHN CN(C(=O)C1(C(N)=O)CC1)[C@H]1CCN(CCOCCO)C1 ZINC001269269127 775500835 /nfs/dbraw/zinc/50/08/35/775500835.db2.gz STJWACCKTARGKD-NSHDSACASA-N 0 3 299.371 -1.207 20 0 CAADHN CN(C(=O)C1(C(N)=O)CC1)[C@@H]1CCN(CCOCCO)C1 ZINC001269269126 775500858 /nfs/dbraw/zinc/50/08/58/775500858.db2.gz STJWACCKTARGKD-LLVKDONJSA-N 0 3 299.371 -1.207 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cc1cncnc1 ZINC001126407892 775501931 /nfs/dbraw/zinc/50/19/31/775501931.db2.gz RNKNHBPSIFPSMP-SECBINFHSA-N 0 3 265.317 -1.141 20 0 CAADHN O=C(Cc1cncnc1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126407851 775502767 /nfs/dbraw/zinc/50/27/67/775502767.db2.gz QBUOQPANXOHMPL-SNVBAGLBSA-N 0 3 291.311 -1.470 20 0 CAADHN CC[C@@H](NCCNC(=O)Cc1cncnc1)C(N)=O ZINC001126412940 775505560 /nfs/dbraw/zinc/50/55/60/775505560.db2.gz HUBNJWJKYDRSFI-SNVBAGLBSA-N 0 3 265.317 -1.011 20 0 CAADHN CC[C@@H](CNC(=O)CNC(=O)NC)NCC(N)=O ZINC001269413103 775507044 /nfs/dbraw/zinc/50/70/44/775507044.db2.gz PLLIBAGJDFNJGH-ZETCQYMHSA-N 0 3 259.310 -2.115 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NCC(=O)NCC(C)C ZINC001269461251 775507837 /nfs/dbraw/zinc/50/78/37/775507837.db2.gz QRASDTMPZZBDFC-VIFPVBQESA-N 0 3 272.349 -1.272 20 0 CAADHN CC[C@@H](CNC(=O)[C@@H]1CCNC1=O)NCC(=O)NC1CC1 ZINC001269447968 775507935 /nfs/dbraw/zinc/50/79/35/775507935.db2.gz HOIIREIUODJGDP-GXSJLCMTSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@H](CNC(=O)[C@@H]1CCNC1=O)NCC(=O)NC1CC1 ZINC001269447971 775508316 /nfs/dbraw/zinc/50/83/16/775508316.db2.gz HOIIREIUODJGDP-MWLCHTKSSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@@H](CNC(=O)c1cnn(C)n1)NCC(N)=O ZINC001269481930 775509532 /nfs/dbraw/zinc/50/95/32/775509532.db2.gz JSQUBSIDZKGIRT-ZETCQYMHSA-N 0 3 254.294 -1.602 20 0 CAADHN CC[C@@H](CNC(=O)C1(C(=O)NC)CC1)N[C@@H]1CCNC1=O ZINC001269482771 775509608 /nfs/dbraw/zinc/50/96/08/775509608.db2.gz YHVYJHOROOACJA-VHSXEESVSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@H](NC1(CNC(=O)[C@H]2CCN(C)C2=O)CC1)C(N)=O ZINC001269476230 775509752 /nfs/dbraw/zinc/50/97/52/775509752.db2.gz YQFXYXYMRINHOQ-ZJUUUORDSA-N 0 3 296.371 -1.033 20 0 CAADHN O=C(NCC1(N[C@@H]2CCC(=O)NC2=O)CC1)c1cnon1 ZINC001269508645 775509842 /nfs/dbraw/zinc/50/98/42/775509842.db2.gz NYFPZQYZOCNRFK-SSDOTTSWSA-N 0 3 293.283 -1.273 20 0 CAADHN CC[C@H](CNC(=O)C1(C(=O)NC)CC1)N[C@@H]1CCNC1=O ZINC001269482768 775510074 /nfs/dbraw/zinc/51/00/74/775510074.db2.gz YHVYJHOROOACJA-NXEZZACHSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@@H](NC1(CNC(=O)[C@H]2CCN(C)C2=O)CC1)C(N)=O ZINC001269476225 775510374 /nfs/dbraw/zinc/51/03/74/775510374.db2.gz YQFXYXYMRINHOQ-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)NCC(N)=O ZINC001269520259 775511806 /nfs/dbraw/zinc/51/18/06/775511806.db2.gz LQHWXTIUKPHPLU-SFYZADRCSA-N 0 3 284.316 -1.991 20 0 CAADHN CC[C@H](CNC(=O)C[C@@H]1CC(=O)NC1=O)NCC(N)=O ZINC001269520257 775512003 /nfs/dbraw/zinc/51/20/03/775512003.db2.gz LQHWXTIUKPHPLU-HTQZYQBOSA-N 0 3 284.316 -1.991 20 0 CAADHN CN1CC2(C1)CCN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)CC2 ZINC001269510268 775512090 /nfs/dbraw/zinc/51/20/90/775512090.db2.gz HMHLYMKVSLPLCB-JHJVBQTASA-N 0 3 296.367 -1.047 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)C2 ZINC001269509941 775512121 /nfs/dbraw/zinc/51/21/21/775512121.db2.gz CIXRULRSCZFFHR-YHALQVAKSA-N 0 3 282.340 -1.438 20 0 CAADHN CCCNC(=O)CNC[C@@](C)(NC(=O)C(N)=O)C1CC1 ZINC001269634604 775514938 /nfs/dbraw/zinc/51/49/38/775514938.db2.gz QSGLVVIMGXEUGI-CYBMUJFWSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@H](NC[C@](C)(NC(=O)C(N)=O)C1CC1)C(=O)N(C)C ZINC001269634889 775514984 /nfs/dbraw/zinc/51/49/84/775514984.db2.gz VKOLDCCYSCJEJV-SDBXPKJASA-N 0 3 284.360 -1.177 20 0 CAADHN CN1CC[C@H](C(=O)N[C@@](C)(CNCC(N)=O)C2CC2)C1=O ZINC001269631232 775515098 /nfs/dbraw/zinc/51/50/98/775515098.db2.gz WMPYSYWLHDDPCM-YGRLFVJLSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCc1ncc[nH]1 ZINC001126436759 775519340 /nfs/dbraw/zinc/51/93/40/775519340.db2.gz KRQUGWKUTINICZ-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN O=C(CCc1ncc[nH]1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126436767 775519592 /nfs/dbraw/zinc/51/95/92/775519592.db2.gz LDYXAJXHRRUREN-SECBINFHSA-N 0 3 293.327 -1.147 20 0 CAADHN NC(=O)CNC[C@@H]1CCCN1C(=O)C1=COCCO1 ZINC001270000064 775519907 /nfs/dbraw/zinc/51/99/07/775519907.db2.gz XFDAWUKLBRVUMO-VIFPVBQESA-N 0 3 269.301 -1.060 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCCNC1=O ZINC001270076165 775521099 /nfs/dbraw/zinc/52/10/99/775521099.db2.gz NNDFJZOSBMJLHC-NXEZZACHSA-N 0 3 282.344 -1.422 20 0 CAADHN Cn1cc(C(=O)N2CCC[C@@H]2CNCC(N)=O)nn1 ZINC001270043890 775521230 /nfs/dbraw/zinc/52/12/30/775521230.db2.gz WLBCECHQZCQYKC-MRVPVSSYSA-N 0 3 266.305 -1.505 20 0 CAADHN C[C@H](NC[C@H]1CCCN1C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001270074791 775521963 /nfs/dbraw/zinc/52/19/63/775521963.db2.gz FYNQMPYTFHLYNA-DTWKUNHWSA-N 0 3 284.360 -1.048 20 0 CAADHN C[C@H](NC(=O)CNC[C@@H]1CCCN1C(=O)C(N)=O)C1CC1 ZINC001270121895 775523020 /nfs/dbraw/zinc/52/30/20/775523020.db2.gz PWLDYOPOYFWOTL-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN CCNC(=O)CNC[C@H]1CCCN1C(=O)C(N)=O ZINC001270120333 775523128 /nfs/dbraw/zinc/52/31/28/775523128.db2.gz GWPDWCAWDRDUMD-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN CCNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CCNC1=O ZINC001270112713 775523428 /nfs/dbraw/zinc/52/34/28/775523428.db2.gz JMPJNMJLSJDVPX-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)C(=O)NCC1CC1)C(N)=O ZINC001270158727 775524560 /nfs/dbraw/zinc/52/45/60/775524560.db2.gz GETAGFAKXZRQCN-MWLCHTKSSA-N 0 3 296.371 -1.033 20 0 CAADHN C[NH+](C)CCN1C[C@@H]2CCN(C(=O)Cc3nn[n-]n3)[C@@H]2C1 ZINC001270182966 775524620 /nfs/dbraw/zinc/52/46/20/775524620.db2.gz OSFFKCYAJMMHIQ-WDEREUQCSA-N 0 3 293.375 -1.164 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@@H]1CNCC(=O)N1CCC1 ZINC001270190410 775525106 /nfs/dbraw/zinc/52/51/06/775525106.db2.gz SJIJECHVZCCXGB-SNVBAGLBSA-N 0 3 282.344 -1.325 20 0 CAADHN CCCNC(=O)CNC[C@H]1CCCN1C(=O)CC(N)=O ZINC001270190421 775525182 /nfs/dbraw/zinc/52/51/82/775525182.db2.gz SUMJUIRQCPMLIN-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)c1cc[n+]([O-])cc1 ZINC001270163707 775525331 /nfs/dbraw/zinc/52/53/31/775525331.db2.gz JBIFIGHWYPZCMH-LLVKDONJSA-N 0 3 278.312 -1.001 20 0 CAADHN C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)Cc1nn[n-]n1 ZINC001270182855 775526032 /nfs/dbraw/zinc/52/60/32/775526032.db2.gz MNENIIOUWSHQII-QWRGUYRKSA-N 0 3 293.375 -1.021 20 0 CAADHN C[C@H](NC[C@@H]1CCCN1C(=O)C(=O)NCC1CC1)C(N)=O ZINC001270158728 775526048 /nfs/dbraw/zinc/52/60/48/775526048.db2.gz GETAGFAKXZRQCN-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@]1(C)CCNC1=O ZINC001270263677 775526502 /nfs/dbraw/zinc/52/65/02/775526502.db2.gz VXTVKPSBAWMCMJ-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)C(=O)N1CCC[C@@H]1CNCC(=O)N1CCOCC1 ZINC001270259906 775526642 /nfs/dbraw/zinc/52/66/42/775526642.db2.gz XQOKXJDGIBYVAD-SNVBAGLBSA-N 0 3 298.343 -2.089 20 0 CAADHN COC[C@@H](O)CN1CC=C(CNC(=O)CNC(C)=O)CC1 ZINC001284877783 775526877 /nfs/dbraw/zinc/52/68/77/775526877.db2.gz HKIJDMMALJDVQO-ZDUSSCGKSA-N 0 3 299.371 -1.122 20 0 CAADHN CC1(NC(=O)C(N)=O)CCN(CCN2CCNC2=O)CC1 ZINC001270249170 775527184 /nfs/dbraw/zinc/52/71/84/775527184.db2.gz OZQBHKXQYOPFRW-UHFFFAOYSA-N 0 3 297.359 -1.532 20 0 CAADHN CC(C)(O)CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126456470 775527251 /nfs/dbraw/zinc/52/72/51/775527251.db2.gz VFFKBRGOJFNATR-MRVPVSSYSA-N 0 3 271.317 -1.342 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CCNC1=O ZINC001270249586 775527350 /nfs/dbraw/zinc/52/73/50/775527350.db2.gz IFDCFMKCICYPHQ-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)CNC[C@H]1CCCN1C(=O)[C@H]1CCNC1=O ZINC001270249589 775527396 /nfs/dbraw/zinc/52/73/96/775527396.db2.gz IFDCFMKCICYPHQ-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN CN(CCNCCNC(=O)CC(C)(C)O)S(C)(=O)=O ZINC001126456605 775527486 /nfs/dbraw/zinc/52/74/86/775527486.db2.gz YASJZMIFAKTNHP-UHFFFAOYSA-N 0 3 295.405 -1.255 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@@H]2CNCC(N)=O)CC1 ZINC001270275727 775527716 /nfs/dbraw/zinc/52/77/16/775527716.db2.gz LXXHJKQIKGGBQX-SECBINFHSA-N 0 3 282.344 -1.422 20 0 CAADHN CCOC(=O)[C@H]1CNCCN1CCn1cnnn1 ZINC000712617346 775528679 /nfs/dbraw/zinc/52/86/79/775528679.db2.gz RHPLYVZISCNMES-SECBINFHSA-N 0 3 254.294 -1.490 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)CC(C)(C)O ZINC001126461945 775530221 /nfs/dbraw/zinc/53/02/21/775530221.db2.gz FOVGIYPWTHPXDX-UHFFFAOYSA-N 0 3 295.405 -1.208 20 0 CAADHN CN(C)CCN1C[C@]2(CCN(C(=O)CO)C2)OCC1=O ZINC001270421904 775530559 /nfs/dbraw/zinc/53/05/59/775530559.db2.gz FIPWLMLRQYSFPG-CYBMUJFWSA-N 0 3 285.344 -1.630 20 0 CAADHN CC(C)(O)CC(=O)NCCNCC(=O)NC(N)=O ZINC001126461978 775530712 /nfs/dbraw/zinc/53/07/12/775530712.db2.gz HERBDOJAFOXWCE-UHFFFAOYSA-N 0 3 260.294 -1.952 20 0 CAADHN CN(C)CCN1CC2(CN(C(=O)CO)C2)OCC1=O ZINC001270423124 775531839 /nfs/dbraw/zinc/53/18/39/775531839.db2.gz NEOPZIRIRLVFPC-UHFFFAOYSA-N 0 3 271.317 -2.020 20 0 CAADHN Cc1cc(CC(=O)N[C@@H]2CN(C[C@H](C)O)C[C@@H]2O)[nH]n1 ZINC001083401574 775534180 /nfs/dbraw/zinc/53/41/80/775534180.db2.gz PNPYDNHFQWLUHY-WCQGTBRESA-N 0 3 282.344 -1.197 20 0 CAADHN CNC(=O)CNCCNC(=O)c1nccc(C)n1 ZINC001126468469 775535511 /nfs/dbraw/zinc/53/55/11/775535511.db2.gz WAVFLBGUSZFXST-UHFFFAOYSA-N 0 3 251.290 -1.150 20 0 CAADHN C[C@@H](O)CN1CCCO[C@@H](CNC(=O)CNC(N)=O)C1 ZINC001149139482 775536389 /nfs/dbraw/zinc/53/63/89/775536389.db2.gz ZYJFFUGXFFIPBQ-ZJUUUORDSA-N 0 3 288.348 -1.757 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CC(C)(C)O ZINC001126477222 775540712 /nfs/dbraw/zinc/54/07/12/775540712.db2.gz MGRNKDSHKZPWEQ-UHFFFAOYSA-N 0 3 274.321 -1.691 20 0 CAADHN Cc1ccnc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)n1 ZINC001126476331 775540036 /nfs/dbraw/zinc/54/00/36/775540036.db2.gz AJACUNGTLRKOAD-SECBINFHSA-N 0 3 291.311 -1.090 20 0 CAADHN Cc1ccnc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)n1 ZINC001126479952 775541449 /nfs/dbraw/zinc/54/14/49/775541449.db2.gz CYRBRVBBLBTHNC-MRVPVSSYSA-N 0 3 294.315 -1.312 20 0 CAADHN CN(C)CCN1C(=O)COCC12CN(C(=O)C1(O)CC1)C2 ZINC001270740675 775543707 /nfs/dbraw/zinc/54/37/07/775543707.db2.gz KMGTXJUKHNJMFE-UHFFFAOYSA-N 0 3 297.355 -1.487 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCS(=O)(=O)N1)C2 ZINC001270797607 775546514 /nfs/dbraw/zinc/54/65/14/775546514.db2.gz VBWJHMGEWUGNDJ-KXUCPTDWSA-N 0 3 273.358 -1.159 20 0 CAADHN CO[C@@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)C1CC1 ZINC001126493414 775548182 /nfs/dbraw/zinc/54/81/82/775548182.db2.gz FAEBINPVJWABSY-GXSJLCMTSA-N 0 3 283.328 -1.078 20 0 CAADHN CO[C@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001126493415 775548499 /nfs/dbraw/zinc/54/84/99/775548499.db2.gz FAEBINPVJWABSY-KOLCDFICSA-N 0 3 283.328 -1.078 20 0 CAADHN CO[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1CC1 ZINC001126486498 775548843 /nfs/dbraw/zinc/54/88/43/775548843.db2.gz AIEHTZQYOXMEMH-SECBINFHSA-N 0 3 272.305 -1.688 20 0 CAADHN CO[C@@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001126493599 775548885 /nfs/dbraw/zinc/54/88/85/775548885.db2.gz FAEBINPVJWABSY-MWLCHTKSSA-N 0 3 283.328 -1.078 20 0 CAADHN CO[C@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)C1CC1 ZINC001126493600 775549188 /nfs/dbraw/zinc/54/91/88/775549188.db2.gz FAEBINPVJWABSY-ONGXEEELSA-N 0 3 283.328 -1.078 20 0 CAADHN CO[C@@H](C(=O)NCCNCC(=O)N1CCOCC1)C1CC1 ZINC001126486766 775549352 /nfs/dbraw/zinc/54/93/52/775549352.db2.gz ILGBQXULQDGWSA-CYBMUJFWSA-N 0 3 299.371 -1.024 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001149312657 775549502 /nfs/dbraw/zinc/54/95/02/775549502.db2.gz NGLCUZXWJMVWMB-LBPRGKRZSA-N 0 3 296.371 -1.207 20 0 CAADHN CCN1CC[C@@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000080194223 775550304 /nfs/dbraw/zinc/55/03/04/775550304.db2.gz PQVJDIKFPKDCDO-SECBINFHSA-N 0 3 280.332 -1.070 20 0 CAADHN CCN1CC[C@H](N(C)C(=O)c2cn(CC(N)=O)nn2)C1 ZINC000080194217 775550407 /nfs/dbraw/zinc/55/04/07/775550407.db2.gz PQVJDIKFPKDCDO-VIFPVBQESA-N 0 3 280.332 -1.070 20 0 CAADHN NC(=O)C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCCCO)C1 ZINC001112155839 775553183 /nfs/dbraw/zinc/55/31/83/775553183.db2.gz MTGZHYZVTGYHIZ-RNFRBKRXSA-N 0 3 283.250 -1.167 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)Cn1cnnn1)C(N)=O ZINC001270887024 775556436 /nfs/dbraw/zinc/55/64/36/775556436.db2.gz IRIOWAYLDYEAKD-JGVFFNPUSA-N 0 3 269.309 -2.017 20 0 CAADHN CC(=O)N1CC[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001149318302 775556517 /nfs/dbraw/zinc/55/65/17/775556517.db2.gz UNTHZMBZTTZYQI-QWRGUYRKSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)Cn1cnnn1 ZINC001270887027 775556587 /nfs/dbraw/zinc/55/65/87/775556587.db2.gz IRIOWAYLDYEAKD-YUMQZZPRSA-N 0 3 269.309 -2.017 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCNCC(N)=O)C1 ZINC001149318347 775556965 /nfs/dbraw/zinc/55/69/65/775556965.db2.gz UWGHFWLETLYPJG-SECBINFHSA-N 0 3 256.306 -1.954 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001149318298 775556988 /nfs/dbraw/zinc/55/69/88/775556988.db2.gz UNTHZMBZTTZYQI-GHMZBOCLSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)Cn1cnnn1 ZINC001270887013 775557284 /nfs/dbraw/zinc/55/72/84/775557284.db2.gz IRIOWAYLDYEAKD-HTQZYQBOSA-N 0 3 269.309 -2.017 20 0 CAADHN COCCN1C[C@@H]2CCN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001075796953 775557362 /nfs/dbraw/zinc/55/73/62/775557362.db2.gz LEGSDUADARYZIA-WDEREUQCSA-N 0 3 280.332 -1.148 20 0 CAADHN Cn1nncc1C(=O)NCCNCC(=O)NC(N)=O ZINC001126524305 775557992 /nfs/dbraw/zinc/55/79/92/775557992.db2.gz NSMBZOJNJGOPEV-UHFFFAOYSA-N 0 3 269.265 -2.671 20 0 CAADHN Cn1nncc1C(=O)NCCN[C@H]1CCCNC1=O ZINC001126524402 775558089 /nfs/dbraw/zinc/55/80/89/775558089.db2.gz QUNOOVBEUBSNEN-QMMMGPOBSA-N 0 3 266.305 -1.587 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2CCOCC2)[C@@H](O)C1 ZINC001083415728 775558456 /nfs/dbraw/zinc/55/84/56/775558456.db2.gz HZPZMYNCICYCPT-NEPJUHHUSA-N 0 3 271.361 -1.110 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1cnnn1C ZINC001126524835 775558485 /nfs/dbraw/zinc/55/84/85/775558485.db2.gz WOPYCPFBHUPLHJ-UHFFFAOYSA-N 0 3 298.347 -1.713 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnnn1C ZINC001126522603 775559377 /nfs/dbraw/zinc/55/93/77/775559377.db2.gz BCCAYOAHCACENY-UHFFFAOYSA-N 0 3 254.294 -1.729 20 0 CAADHN Cn1nncc1C(=O)NCCNCCNS(C)(=O)=O ZINC001126528927 775559915 /nfs/dbraw/zinc/55/99/15/775559915.db2.gz PRIKTBBGFWUIKG-UHFFFAOYSA-N 0 3 290.349 -2.316 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001270957673 775560570 /nfs/dbraw/zinc/56/05/70/775560570.db2.gz XDKCZECDYICQLW-JGVFFNPUSA-N 0 3 268.321 -1.261 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cnnn2C)C1=O ZINC001126529496 775560932 /nfs/dbraw/zinc/56/09/32/775560932.db2.gz YSWSWPOKJBQYDW-QMMMGPOBSA-N 0 3 266.305 -1.635 20 0 CAADHN C[C@@H](NC[C@@H](C)N(C)C(=O)c1cn(C)nn1)C(N)=O ZINC001270957672 775561003 /nfs/dbraw/zinc/56/10/03/775561003.db2.gz XDKCZECDYICQLW-HTQZYQBOSA-N 0 3 268.321 -1.261 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cnnn2C)C1=O ZINC001126529494 775561165 /nfs/dbraw/zinc/56/11/65/775561165.db2.gz YSWSWPOKJBQYDW-MRVPVSSYSA-N 0 3 266.305 -1.635 20 0 CAADHN O=C1NC[C@H]2CN(S(=O)(=O)C3CNC3)CCN12 ZINC000721830589 775563359 /nfs/dbraw/zinc/56/33/59/775563359.db2.gz HVTXXPKUISAQGU-ZETCQYMHSA-N 0 3 260.319 -2.003 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)c1nnn(C)n1 ZINC001271067804 775565112 /nfs/dbraw/zinc/56/51/12/775565112.db2.gz KYXHMBFFZHZJRR-ZCFIWIBFSA-N 0 3 255.282 -2.255 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)c1nnn(C)n1 ZINC001271067801 775565256 /nfs/dbraw/zinc/56/52/56/775565256.db2.gz KYXHMBFFZHZJRR-LURJTMIESA-N 0 3 255.282 -2.255 20 0 CAADHN C[C@@H](NC[C@H](C)N(C)C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001271081263 775566816 /nfs/dbraw/zinc/56/68/16/775566816.db2.gz BOYLYTKZSZKVOH-JGVFFNPUSA-N 0 3 270.333 -1.438 20 0 CAADHN C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)C1(C(N)=O)CC1 ZINC001271081265 775566847 /nfs/dbraw/zinc/56/68/47/775566847.db2.gz BOYLYTKZSZKVOH-YUMQZZPRSA-N 0 3 270.333 -1.438 20 0 CAADHN C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)C(N)=O ZINC001271084622 775567557 /nfs/dbraw/zinc/56/75/57/775567557.db2.gz YRJBKCNIMXLSLF-QMMMGPOBSA-N 0 3 256.306 -1.860 20 0 CAADHN O=C(NC[C@]1(O)CCN(CCOCCO)C1)c1cn[nH]c1 ZINC001271122194 775568536 /nfs/dbraw/zinc/56/85/36/775568536.db2.gz YAFCHKPTKPROEC-CYBMUJFWSA-N 0 3 298.343 -1.415 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H]2COCCN2C)[C@@H](O)C1 ZINC001083417440 775570541 /nfs/dbraw/zinc/57/05/41/775570541.db2.gz QKFMGWCQRIOFAN-UTUOFQBUSA-N 0 3 271.361 -1.112 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083417135 775571234 /nfs/dbraw/zinc/57/12/34/775571234.db2.gz FTZRJDXPLFHHIH-UPJWGTAASA-N 0 3 283.372 -1.112 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnnn1C)C(=O)NC(N)=O ZINC001126541140 775571956 /nfs/dbraw/zinc/57/19/56/775571956.db2.gz OVVDKGWNESFAKI-ZCFIWIBFSA-N 0 3 283.292 -2.282 20 0 CAADHN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1CCO ZINC001087724010 775572924 /nfs/dbraw/zinc/57/29/24/775572924.db2.gz QPXKIZQUUAEOPC-WHOHXGKFSA-N 0 3 299.371 -1.019 20 0 CAADHN CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)CCN1CCO ZINC001087744335 775573128 /nfs/dbraw/zinc/57/31/28/775573128.db2.gz LQVOIWGWSYIPNI-LPEHRKFASA-N 0 3 298.343 -1.454 20 0 CAADHN Cc1ncc(C(=O)NC[C@@]2(O)CCN(CCO)C2)[nH]1 ZINC001271131188 775573546 /nfs/dbraw/zinc/57/35/46/775573546.db2.gz HRXGIIIFCYFTLA-LBPRGKRZSA-N 0 3 268.317 -1.123 20 0 CAADHN CNC(=O)CNC[C@@H](C)N(C)C(=O)C1(C(=O)NC)CC1 ZINC001271137778 775573751 /nfs/dbraw/zinc/57/37/51/775573751.db2.gz SFENEKBMYMYCEK-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN COC[C@@H](C)C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001271133395 775573922 /nfs/dbraw/zinc/57/39/22/775573922.db2.gz ZWBNDROZESUIRQ-ZYHUDNBSSA-N 0 3 260.334 -1.186 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001126548398 775575265 /nfs/dbraw/zinc/57/52/65/775575265.db2.gz KKJPRXAYGQTOEQ-IUCAKERBSA-N 0 3 284.316 -1.579 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126548362 775575331 /nfs/dbraw/zinc/57/53/31/775575331.db2.gz JOCJXUMNVAPOTM-ZCFIWIBFSA-N 0 3 287.276 -2.744 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126548288 775575371 /nfs/dbraw/zinc/57/53/71/775575371.db2.gz HYQNSCQSSIKUFW-SSDOTTSWSA-N 0 3 258.278 -2.063 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1COC(=O)N1)N1CCCC1 ZINC001126548269 775575500 /nfs/dbraw/zinc/57/55/00/775575500.db2.gz HRCVWDHGWPSTAB-VIFPVBQESA-N 0 3 284.316 -1.577 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001126548396 775575720 /nfs/dbraw/zinc/57/57/20/775575720.db2.gz KKJPRXAYGQTOEQ-BDAKNGLRSA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@H](CN[C@H]1CCC(=O)NC1=O)N(C)C(=O)c1cnon1 ZINC001271147294 775575919 /nfs/dbraw/zinc/57/59/19/775575919.db2.gz PBPGQFIFBUOVBM-SFYZADRCSA-N 0 3 295.299 -1.075 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126548264 775575932 /nfs/dbraw/zinc/57/59/32/775575932.db2.gz HQCKEEXBZZNJAQ-SECBINFHSA-N 0 3 286.332 -1.283 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126547747 775575993 /nfs/dbraw/zinc/57/59/93/775575993.db2.gz AKZJHDBPCWJMGT-QMMMGPOBSA-N 0 3 272.305 -1.673 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126547744 775576519 /nfs/dbraw/zinc/57/65/19/775576519.db2.gz AKZJHDBPCWJMGT-MRVPVSSYSA-N 0 3 272.305 -1.673 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1COC(=O)N1 ZINC001126548185 775576989 /nfs/dbraw/zinc/57/69/89/775576989.db2.gz FUCPONKNVCWTSH-BQBZGAKWSA-N 0 3 284.272 -2.394 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1COC(=O)N1)N1CCCCC1 ZINC001126548652 775577041 /nfs/dbraw/zinc/57/70/41/775577041.db2.gz QWAKRBFZHVPGBJ-JTQLQIEISA-N 0 3 298.343 -1.187 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1COC(=O)N1)NCC1CCC1 ZINC001126548538 775577739 /nfs/dbraw/zinc/57/77/39/775577739.db2.gz NWHAOHQBTMWSPG-JTQLQIEISA-N 0 3 298.343 -1.283 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1COC(=O)N1 ZINC001126548850 775577875 /nfs/dbraw/zinc/57/78/75/775577875.db2.gz UAHKJZVFHBMMJL-NKWVEPMBSA-N 0 3 256.262 -2.311 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1COC(=O)N1 ZINC001126548849 775577989 /nfs/dbraw/zinc/57/79/89/775577989.db2.gz UAHKJZVFHBMMJL-BQBZGAKWSA-N 0 3 256.262 -2.311 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1COC(=O)N1 ZINC001126548852 775578095 /nfs/dbraw/zinc/57/80/95/775578095.db2.gz UAHKJZVFHBMMJL-RNFRBKRXSA-N 0 3 256.262 -2.311 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@H]1COC(=O)N1 ZINC001126548792 775578156 /nfs/dbraw/zinc/57/81/56/775578156.db2.gz SQWAFNXJKDXOLY-JGVFFNPUSA-N 0 3 270.289 -1.921 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1COC(=O)N1 ZINC001126548188 775578473 /nfs/dbraw/zinc/57/84/73/775578473.db2.gz FUCPONKNVCWTSH-NKWVEPMBSA-N 0 3 284.272 -2.394 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126548422 775578555 /nfs/dbraw/zinc/57/85/55/775578555.db2.gz LABOTHYVRQCZBA-SSDOTTSWSA-N 0 3 258.278 -2.111 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1COC(=O)N1)N1CCC1 ZINC001126549179 775578989 /nfs/dbraw/zinc/57/89/89/775578989.db2.gz YSTFXGZFBQTCSY-MRVPVSSYSA-N 0 3 270.289 -1.967 20 0 CAADHN C[C@@H](CNCC(N)=O)N(C)C(=O)CCn1cnnn1 ZINC001271155013 775579214 /nfs/dbraw/zinc/57/92/14/775579214.db2.gz LJAPEPVURRQGFN-QMMMGPOBSA-N 0 3 269.309 -2.015 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001126553423 775579416 /nfs/dbraw/zinc/57/94/16/775579416.db2.gz IBNYBTIMIAFOSK-IUCAKERBSA-N 0 3 284.316 -1.579 20 0 CAADHN C[C@H](CNCC(N)=O)N(C)C(=O)CCn1cnnn1 ZINC001271155012 775579486 /nfs/dbraw/zinc/57/94/86/775579486.db2.gz LJAPEPVURRQGFN-MRVPVSSYSA-N 0 3 269.309 -2.015 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126549199 775579537 /nfs/dbraw/zinc/57/95/37/775579537.db2.gz ZBNZZEZVXKHYQA-BDAKNGLRSA-N 0 3 286.332 -1.285 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1COC(=O)N1)C(=O)N(C)C ZINC001126552715 775579703 /nfs/dbraw/zinc/57/97/03/775579703.db2.gz DVTSFRSOTJWSQT-JGVFFNPUSA-N 0 3 272.305 -1.723 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1COC(=O)N1)NC1CCCC1 ZINC001126549137 775579836 /nfs/dbraw/zinc/57/98/36/775579836.db2.gz XUYUSJZHPHIIBW-JTQLQIEISA-N 0 3 298.343 -1.141 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126549126 775580119 /nfs/dbraw/zinc/58/01/19/775580119.db2.gz XOQIFJQIPWDJHO-QMMMGPOBSA-N 0 3 272.305 -1.721 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126549067 775580518 /nfs/dbraw/zinc/58/05/18/775580518.db2.gz WPOILEQFEGPALH-SECBINFHSA-N 0 3 267.289 -1.266 20 0 CAADHN CCCC[C@@H](NCCNC(=O)[C@@H]1COC(=O)N1)C(N)=O ZINC001126552938 775580605 /nfs/dbraw/zinc/58/06/05/775580605.db2.gz FJGUQEALHHQJGE-BDAKNGLRSA-N 0 3 286.332 -1.155 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2COC(=O)N2)C1=O ZINC001126553424 775580654 /nfs/dbraw/zinc/58/06/54/775580654.db2.gz IBNYBTIMIAFOSK-RKDXNWHRSA-N 0 3 284.316 -1.579 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001126554743 775581236 /nfs/dbraw/zinc/58/12/36/775581236.db2.gz RLXJHIWYWUCXRO-SFYZADRCSA-N 0 3 270.289 -1.969 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001126554744 775581833 /nfs/dbraw/zinc/58/18/33/775581833.db2.gz RLXJHIWYWUCXRO-YUMQZZPRSA-N 0 3 270.289 -1.969 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1COC(=O)N1 ZINC001126554683 775581887 /nfs/dbraw/zinc/58/18/87/775581887.db2.gz QYZSKMJPJWROGJ-SECBINFHSA-N 0 3 286.332 -1.427 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1COC(=O)N1)C(N)=O ZINC001126554465 775581957 /nfs/dbraw/zinc/58/19/57/775581957.db2.gz ONPGBOAVRLJSBO-NKWVEPMBSA-N 0 3 258.278 -1.936 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)[C@@H]2COC(=O)N2)C1=O ZINC001126554454 775582023 /nfs/dbraw/zinc/58/20/23/775582023.db2.gz OIEIFJCFNXDXHL-ZJUUUORDSA-N 0 3 298.343 -1.190 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1O ZINC001083418999 775583425 /nfs/dbraw/zinc/58/34/25/775583425.db2.gz KPBBZZZJQWFXRC-MNOVXSKESA-N 0 3 295.343 -1.055 20 0 CAADHN CCN(C(=O)CNCCNC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001126559112 775584806 /nfs/dbraw/zinc/58/48/06/775584806.db2.gz BTNSMAWMXGPPLB-SNVBAGLBSA-N 0 3 298.343 -1.189 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126562242 775586551 /nfs/dbraw/zinc/58/65/51/775586551.db2.gz WSVCOSFNVHAEQT-BDAKNGLRSA-N 0 3 286.332 -1.285 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1COC(=O)N1 ZINC001126562246 775587224 /nfs/dbraw/zinc/58/72/24/775587224.db2.gz WSVCOSFNVHAEQT-IUCAKERBSA-N 0 3 286.332 -1.285 20 0 CAADHN CN1CCOc2c1cnnc2N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001168041756 775588354 /nfs/dbraw/zinc/58/83/54/775588354.db2.gz DXMUESFLYCCOEV-OYBPUVFXSA-N 0 3 296.327 -1.180 20 0 CAADHN Cc1nn[nH]c1C(=O)N1C[C@H]2CCN(CC(N)=O)C[C@H]2C1 ZINC001088062415 775590036 /nfs/dbraw/zinc/59/00/36/775590036.db2.gz CWXGUGKBCSXCEG-ZJUUUORDSA-N 0 3 292.343 -1.008 20 0 CAADHN O=C(Cc1c[nH]cn1)NC[C@@]1(O)CCN(CCO)C1 ZINC001271191412 775592008 /nfs/dbraw/zinc/59/20/08/775592008.db2.gz DWEORJMNYNBUIN-LBPRGKRZSA-N 0 3 268.317 -1.503 20 0 CAADHN COCCN1CC[C@](O)(CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001271193696 775592790 /nfs/dbraw/zinc/59/27/90/775592790.db2.gz ZOWKBQFAIBDANR-KBPBESRZSA-N 0 3 299.371 -1.288 20 0 CAADHN COCCN1CC[C@@](O)(CNC(=O)[C@@]2(C)CCNC2=O)C1 ZINC001271193698 775593160 /nfs/dbraw/zinc/59/31/60/775593160.db2.gz ZOWKBQFAIBDANR-UONOGXRCSA-N 0 3 299.371 -1.288 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@@H]1CNC(=O)CC(N)=O)N(C)C ZINC001285845128 775597271 /nfs/dbraw/zinc/59/72/71/775597271.db2.gz BJXUHLJVDHFJAX-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C ZINC001271286964 775600560 /nfs/dbraw/zinc/60/05/60/775600560.db2.gz GHPIPFNCPMHJRF-DCAQKATOSA-N 0 3 282.344 -1.329 20 0 CAADHN CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CN(C)C2)CC1 ZINC001271287309 775600579 /nfs/dbraw/zinc/60/05/79/775600579.db2.gz KZEKJDZVNDWZAA-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN CC(C)C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)C(N)=O ZINC001271295235 775601501 /nfs/dbraw/zinc/60/15/01/775601501.db2.gz UJHWVGLTZHYUBR-DTWKUNHWSA-N 0 3 298.343 -1.603 20 0 CAADHN CC(C)C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)C(N)=O ZINC001271295239 775602121 /nfs/dbraw/zinc/60/21/21/775602121.db2.gz UJHWVGLTZHYUBR-RKDXNWHRSA-N 0 3 298.343 -1.603 20 0 CAADHN CN(C(=O)[C@@H]1CCCN1C)C1CN(CC(N)=O)C1 ZINC001042546163 775607028 /nfs/dbraw/zinc/60/70/28/775607028.db2.gz SBSNGRUOWMCRQC-JTQLQIEISA-N 0 3 254.334 -1.292 20 0 CAADHN CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001088088662 775607273 /nfs/dbraw/zinc/60/72/73/775607273.db2.gz GDCJNZBEDKEXCB-KXUCPTDWSA-N 0 3 282.344 -1.484 20 0 CAADHN CN1CCC(O)(C(=O)N2CC3(C[C@@H]3C(N)=O)C2)CC1 ZINC001271736981 775621224 /nfs/dbraw/zinc/62/12/24/775621224.db2.gz WZHMWWIVLUPMCV-SECBINFHSA-N 0 3 267.329 -1.223 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCNCCNS(C)(=O)=O ZINC001126618675 775621894 /nfs/dbraw/zinc/62/18/94/775621894.db2.gz GVOPJUNLZWNHEA-SECBINFHSA-N 0 3 281.378 -1.742 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCNCC(=O)NC(N)=O ZINC001126619431 775622131 /nfs/dbraw/zinc/62/21/31/775622131.db2.gz PMLQMESGFFEYDS-MRVPVSSYSA-N 0 3 260.294 -2.096 20 0 CAADHN CN1CCC(O)(C(=O)N2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CC1 ZINC001271735723 775622306 /nfs/dbraw/zinc/62/23/06/775622306.db2.gz AUDMUOZAKNVIPR-DTWKUNHWSA-N 0 3 296.327 -1.858 20 0 CAADHN C[C@@H]1C[C@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CCO1 ZINC001168086016 775623135 /nfs/dbraw/zinc/62/31/35/775623135.db2.gz CBDIGLOQQMCDQO-YUQPVLSZSA-N 0 3 277.317 -2.057 20 0 CAADHN CS(=O)(=O)[C@H]1C[C@H](NS(=O)(=O)CCN)C1 ZINC000714249287 775623407 /nfs/dbraw/zinc/62/34/07/775623407.db2.gz DJXVBUMIKQFWSX-LJGSYFOKSA-N 0 3 256.349 -1.560 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001126622223 775623852 /nfs/dbraw/zinc/62/38/52/775623852.db2.gz HFOWCFHLKWVJJH-VHSXEESVSA-N 0 3 257.334 -1.060 20 0 CAADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001088307444 775623936 /nfs/dbraw/zinc/62/39/36/775623936.db2.gz WLCYXCKIRHWDGH-ZJUUUORDSA-N 0 3 298.343 -1.059 20 0 CAADHN C[C@@H]1C[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CCO1 ZINC001168086013 775624107 /nfs/dbraw/zinc/62/41/07/775624107.db2.gz CBDIGLOQQMCDQO-DNOVGRLMSA-N 0 3 277.317 -2.057 20 0 CAADHN CC(=O)NCC(=O)NC[C@@H](NCC(N)=O)C(C)C ZINC001271798669 775624142 /nfs/dbraw/zinc/62/41/42/775624142.db2.gz HPMYHPXKTKKYKO-SECBINFHSA-N 0 3 258.322 -1.662 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001126623336 775625543 /nfs/dbraw/zinc/62/55/43/775625543.db2.gz UOMZMCOIKPHUKP-HTQZYQBOSA-N 0 3 274.321 -1.708 20 0 CAADHN CCCNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001271873139 775627653 /nfs/dbraw/zinc/62/76/53/775627653.db2.gz CCUNTEBONWYVKF-MXWKQRLJSA-N 0 3 296.371 -1.223 20 0 CAADHN CCCNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2C1 ZINC001271873138 775627977 /nfs/dbraw/zinc/62/79/77/775627977.db2.gz CCUNTEBONWYVKF-GARJFASQSA-N 0 3 296.371 -1.223 20 0 CAADHN CC(=O)N(CCO)CCN[C@@H](C)C(=O)NC(N)=O ZINC001272091396 775666201 /nfs/dbraw/zinc/66/62/01/775666201.db2.gz SNOMTCLSVKOHSD-ZETCQYMHSA-N 0 3 260.294 -2.000 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@H]1CCNC1=O)C(C)C ZINC001271876031 775628374 /nfs/dbraw/zinc/62/83/74/775628374.db2.gz CTYUXMWOOQSKEK-UWVGGRQHSA-N 0 3 284.360 -1.401 20 0 CAADHN CC(C)[C@H](CNC(=O)CN1C(=O)CNC1=O)NCC(N)=O ZINC001271929746 775629182 /nfs/dbraw/zinc/62/91/82/775629182.db2.gz BJSBBJISUMGPAH-QMMMGPOBSA-N 0 3 299.331 -2.246 20 0 CAADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001088359732 775631661 /nfs/dbraw/zinc/63/16/61/775631661.db2.gz FVQUIZJWTFEPEG-MNOVXSKESA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001088359733 775632017 /nfs/dbraw/zinc/63/20/17/775632017.db2.gz FVQUIZJWTFEPEG-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001088371674 775632063 /nfs/dbraw/zinc/63/20/63/775632063.db2.gz MURXJNHGAUFDGV-UWVGGRQHSA-N 0 3 297.359 -1.486 20 0 CAADHN NC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001088359734 775632358 /nfs/dbraw/zinc/63/23/58/775632358.db2.gz FVQUIZJWTFEPEG-WDEREUQCSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CN[C@@H]1CCCCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001088371673 775632489 /nfs/dbraw/zinc/63/24/89/775632489.db2.gz MURXJNHGAUFDGV-NXEZZACHSA-N 0 3 297.359 -1.486 20 0 CAADHN Cn1nnc(C(=O)N2CCCCC[C@H](NCC(N)=O)C2)n1 ZINC001088364230 775632584 /nfs/dbraw/zinc/63/25/84/775632584.db2.gz IFRBXMNYLXPLNO-VIFPVBQESA-N 0 3 295.347 -1.330 20 0 CAADHN NC(=O)CN[C@H]1CCCCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001088371675 775632790 /nfs/dbraw/zinc/63/27/90/775632790.db2.gz MURXJNHGAUFDGV-VHSXEESVSA-N 0 3 297.359 -1.486 20 0 CAADHN NC(=O)C(=O)N1CCCCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001088371646 775632877 /nfs/dbraw/zinc/63/28/77/775632877.db2.gz LYVNQGNOAIOTFA-ZJUUUORDSA-N 0 3 282.344 -1.279 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@H](O)C(C)C ZINC001126632122 775637178 /nfs/dbraw/zinc/63/71/78/775637178.db2.gz NNAOBPWYFSOWOM-SNVBAGLBSA-N 0 3 288.348 -1.445 20 0 CAADHN COCCN1CC[C@H](NC(=O)Cn2cnnn2)[C@H]1C ZINC001088460643 775638864 /nfs/dbraw/zinc/63/88/64/775638864.db2.gz XYGZJEDMKWGHSD-ZJUUUORDSA-N 0 3 268.321 -1.102 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001126637212 775638907 /nfs/dbraw/zinc/63/89/07/775638907.db2.gz RFLJQPPXIUHQOO-SNVBAGLBSA-N 0 3 295.405 -1.400 20 0 CAADHN CC(C)[C@@H](O)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001126637507 775640283 /nfs/dbraw/zinc/64/02/83/775640283.db2.gz ZCCJGDZWIPYZSN-NXEZZACHSA-N 0 3 257.334 -1.012 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1CCO ZINC001088506590 775641846 /nfs/dbraw/zinc/64/18/46/775641846.db2.gz BOVMAXWUVRSVHN-WOPDTQHZSA-N 0 3 271.361 -1.112 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cn(C)nn1 ZINC001126650740 775642030 /nfs/dbraw/zinc/64/20/30/775642030.db2.gz RWZMSYLUXLUNDW-UHFFFAOYSA-N 0 3 254.294 -1.729 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cn(C)nn1 ZINC001126650978 775642072 /nfs/dbraw/zinc/64/20/72/775642072.db2.gz ZGRURANZFLMGPY-UHFFFAOYSA-N 0 3 297.319 -2.020 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC000986591120 775642126 /nfs/dbraw/zinc/64/21/26/775642126.db2.gz ZGUSVTMHSKXYCQ-IUCAKERBSA-N 0 3 293.327 -1.542 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)NC(N)=O)nn1 ZINC001126649883 775642175 /nfs/dbraw/zinc/64/21/75/775642175.db2.gz HQGDLQJBJQJXBE-UHFFFAOYSA-N 0 3 269.265 -2.671 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCNC2=O)nn1 ZINC001126650941 775642466 /nfs/dbraw/zinc/64/24/66/775642466.db2.gz XVIMJCZOLSHQKW-ZETCQYMHSA-N 0 3 252.278 -1.977 20 0 CAADHN C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cn(C)c(=O)cn1 ZINC000986591118 775642558 /nfs/dbraw/zinc/64/25/58/775642558.db2.gz ZGUSVTMHSKXYCQ-BDAKNGLRSA-N 0 3 293.327 -1.542 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCCNC2=O)nn1 ZINC001126653797 775643185 /nfs/dbraw/zinc/64/31/85/775643185.db2.gz INGJRRQTHFHMRI-QMMMGPOBSA-N 0 3 266.305 -1.587 20 0 CAADHN Cc1nnc(CC(=O)NCCN[C@H]2CCNC2=O)o1 ZINC001126663469 775645155 /nfs/dbraw/zinc/64/51/55/775645155.db2.gz HDRYGRZFOFROIM-QMMMGPOBSA-N 0 3 267.289 -1.485 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1cn(C)nn1 ZINC001126666733 775645303 /nfs/dbraw/zinc/64/53/03/775645303.db2.gz CRQNMHCXNPQHEN-UHFFFAOYSA-N 0 3 298.347 -1.713 20 0 CAADHN Cc1nnc(CC(=O)NCCN[C@@H]2CCNC2=O)o1 ZINC001126663460 775645515 /nfs/dbraw/zinc/64/55/15/775645515.db2.gz HDRYGRZFOFROIM-MRVPVSSYSA-N 0 3 267.289 -1.485 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1nnc(C)o1 ZINC001126664411 775645614 /nfs/dbraw/zinc/64/56/14/775645614.db2.gz ZBYFEZPODLKUJM-UHFFFAOYSA-N 0 3 298.303 -1.918 20 0 CAADHN Cc1nnc(CC(=O)NCCN[C@@H]2CCC(=O)NC2=O)o1 ZINC001126667208 775645740 /nfs/dbraw/zinc/64/57/40/775645740.db2.gz JATDJTVMTWDOQD-MRVPVSSYSA-N 0 3 295.299 -1.568 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1ncn(C)n1 ZINC001126677816 775646548 /nfs/dbraw/zinc/64/65/48/775646548.db2.gz FEFCGRCZTFKFFO-UHFFFAOYSA-N 0 3 298.347 -1.713 20 0 CAADHN Cn1cnc(C(=O)NCCNCC(=O)NC2CC2)n1 ZINC001126678256 775646568 /nfs/dbraw/zinc/64/65/68/775646568.db2.gz QHMQNCVZUKCKNL-UHFFFAOYSA-N 0 3 266.305 -1.587 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ncn(C)n1 ZINC001126677696 775646893 /nfs/dbraw/zinc/64/68/93/775646893.db2.gz BUPIGXYLUUZDDH-UHFFFAOYSA-N 0 3 283.292 -2.410 20 0 CAADHN Cc1nnc(CC(=O)NCCN[C@@H]2CCN(C)C2=O)o1 ZINC001126672223 775646976 /nfs/dbraw/zinc/64/69/76/775646976.db2.gz LSIKIMGSFVJZEI-SECBINFHSA-N 0 3 281.316 -1.143 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cc1nnc(C)o1 ZINC001126672646 775647042 /nfs/dbraw/zinc/64/70/42/775647042.db2.gz UYYSSXXOHCCKHZ-ZETCQYMHSA-N 0 3 269.305 -1.239 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@H]2CCCNC2=O)n1 ZINC001126677957 775647516 /nfs/dbraw/zinc/64/75/16/775647516.db2.gz JMGAXBGEXADVJX-QMMMGPOBSA-N 0 3 266.305 -1.587 20 0 CAADHN CC[C@@H](NCCNC(=O)Cc1nnc(C)o1)C(N)=O ZINC001126672632 775647529 /nfs/dbraw/zinc/64/75/29/775647529.db2.gz UDWYKXJPURRCJE-MRVPVSSYSA-N 0 3 269.305 -1.110 20 0 CAADHN C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)CCn1cnnn1 ZINC000987247825 775647606 /nfs/dbraw/zinc/64/76/06/775647606.db2.gz IDGZADSZYPGXSQ-DTWKUNHWSA-N 0 3 281.320 -1.873 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1ncn(C)n1 ZINC001126678193 775647832 /nfs/dbraw/zinc/64/78/32/775647832.db2.gz NQVVOELTFCZGKG-UHFFFAOYSA-N 0 3 268.321 -1.341 20 0 CAADHN C[C@@H](NCCNC(=O)c1ncn(C)n1)C(=O)N(C)C ZINC001126684349 775648482 /nfs/dbraw/zinc/64/84/82/775648482.db2.gz KMDIGOALLSSXLS-MRVPVSSYSA-N 0 3 268.321 -1.389 20 0 CAADHN CC[C@H](NCCNC(=O)c1ncn(C)n1)C(N)=O ZINC001126684925 775648801 /nfs/dbraw/zinc/64/88/01/775648801.db2.gz ZSQVFNAFWADSNC-ZETCQYMHSA-N 0 3 254.294 -1.602 20 0 CAADHN C[C@H](NCCNC(=O)c1ncn(C)n1)C(=O)NC1CC1 ZINC001126688237 775648974 /nfs/dbraw/zinc/64/89/74/775648974.db2.gz CBPVLGKHTRUBNY-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN Cn1cnc(C(=O)NCCNCCNS(C)(=O)=O)n1 ZINC001126684785 775649028 /nfs/dbraw/zinc/64/90/28/775649028.db2.gz VDCSGHYRLWQMFV-UHFFFAOYSA-N 0 3 290.349 -2.316 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1ncn(C)n1 ZINC001126678337 775649180 /nfs/dbraw/zinc/64/91/80/775649180.db2.gz VIQNEJPOIQITLJ-UHFFFAOYSA-N 0 3 297.319 -2.020 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)c1ncn(C)n1 ZINC001126684157 775649447 /nfs/dbraw/zinc/64/94/47/775649447.db2.gz GVHYVHKOOOLKHO-UHFFFAOYSA-N 0 3 282.348 -1.093 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001126693593 775650363 /nfs/dbraw/zinc/65/03/63/775650363.db2.gz XNYNKIWGCOEKLH-VIFPVBQESA-N 0 3 287.364 -1.512 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CCNC(=O)NC ZINC001126693129 775650428 /nfs/dbraw/zinc/65/04/28/775650428.db2.gz RAZNSWATUWPCQR-UHFFFAOYSA-N 0 3 287.364 -1.463 20 0 CAADHN CNC(=O)NCCC(=O)NCCNCC(=O)N(C)C ZINC001126692627 775650454 /nfs/dbraw/zinc/65/04/54/775650454.db2.gz DFUUPIODQVAGIS-UHFFFAOYSA-N 0 3 273.337 -1.901 20 0 CAADHN CNC(=O)NCCC(=O)NCCNCC(=O)NC1CC1 ZINC001126693141 775650638 /nfs/dbraw/zinc/65/06/38/775650638.db2.gz RLDBSHDXSZMJES-UHFFFAOYSA-N 0 3 285.348 -1.710 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CCNC(=O)NC)C1=O ZINC001126692618 775650826 /nfs/dbraw/zinc/65/08/26/775650826.db2.gz CVTXQDMQGXUURY-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001126693155 775650893 /nfs/dbraw/zinc/65/08/93/775650893.db2.gz RSIFQJFPTSRFDV-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)NCCC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001126689507 775651251 /nfs/dbraw/zinc/65/12/51/775651251.db2.gz YJQREJURLBEKMP-UHFFFAOYSA-N 0 3 299.375 -1.368 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCNC(=O)NC ZINC001126693577 775651405 /nfs/dbraw/zinc/65/14/05/775651405.db2.gz WTOUMSBGJBQPTN-UHFFFAOYSA-N 0 3 273.337 -1.853 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@H](C)C(N)=O ZINC001126692793 775651429 /nfs/dbraw/zinc/65/14/29/775651429.db2.gz HDVRHNQWOGNTQO-SSDOTTSWSA-N 0 3 259.310 -2.115 20 0 CAADHN CNC(=O)NCCC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001126698392 775651612 /nfs/dbraw/zinc/65/16/12/775651612.db2.gz SDSMQLXHJRTEPU-VIFPVBQESA-N 0 3 299.375 -1.322 20 0 CAADHN CC[C@H](NCCNC(=O)CCNC(=O)NC)C(N)=O ZINC001126697997 775651637 /nfs/dbraw/zinc/65/16/37/775651637.db2.gz KPQJEEJYOILNHJ-QMMMGPOBSA-N 0 3 273.337 -1.725 20 0 CAADHN CCn1ncc(C(=O)NCCNCC(=O)N(C)C)n1 ZINC001126707237 775652602 /nfs/dbraw/zinc/65/26/02/775652602.db2.gz WEYIHGVWGKQVEB-UHFFFAOYSA-N 0 3 268.321 -1.294 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@H](C)C(=O)NC)n1 ZINC001126707385 775652670 /nfs/dbraw/zinc/65/26/70/775652670.db2.gz YXMNLTUFLXQCPJ-MRVPVSSYSA-N 0 3 268.321 -1.248 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001126706667 775652799 /nfs/dbraw/zinc/65/27/99/775652799.db2.gz PKNTXGSHFJHYHC-QMMMGPOBSA-N 0 3 266.305 -1.494 20 0 CAADHN CCn1ncc(C(=O)NCCNCC(=O)NC(=O)NC)n1 ZINC001126706711 775652913 /nfs/dbraw/zinc/65/29/13/775652913.db2.gz QIQJKMUCYCGQQT-UHFFFAOYSA-N 0 3 297.319 -1.927 20 0 CAADHN CC[C@H](NCCNC(=O)c1cnn(CC)n1)C(N)=O ZINC001126712330 775652982 /nfs/dbraw/zinc/65/29/82/775652982.db2.gz QUJIRIUUVRFKHS-QMMMGPOBSA-N 0 3 268.321 -1.119 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001126707037 775653521 /nfs/dbraw/zinc/65/35/21/775653521.db2.gz RUINBYFZGHRDPT-ZETCQYMHSA-N 0 3 254.294 -1.509 20 0 CAADHN CCn1ncc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001126706470 775654143 /nfs/dbraw/zinc/65/41/43/775654143.db2.gz MGIXXMILKIQCLA-UHFFFAOYSA-N 0 3 283.292 -2.188 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@@H](C)C(=O)NC ZINC001126722052 775654281 /nfs/dbraw/zinc/65/42/81/775654281.db2.gz WEZGLUZWFRCPQB-QMMMGPOBSA-N 0 3 268.321 -1.248 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001126721572 775654645 /nfs/dbraw/zinc/65/46/45/775654645.db2.gz OEPGVYOYJKFVLO-QMMMGPOBSA-N 0 3 294.315 -1.577 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@H]1CCCNC1=O ZINC001126721190 775654692 /nfs/dbraw/zinc/65/46/92/775654692.db2.gz JZMXBHIKDRPKLL-VIFPVBQESA-N 0 3 280.332 -1.104 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@@H](C)C(N)=O ZINC001126720693 775654847 /nfs/dbraw/zinc/65/48/47/775654847.db2.gz BGHBMQZFWAVZAS-ZETCQYMHSA-N 0 3 254.294 -1.509 20 0 CAADHN CCn1ncc(C(=O)NCCN[C@H]2CCN(C)C2=O)n1 ZINC001126717244 775655063 /nfs/dbraw/zinc/65/50/63/775655063.db2.gz WOQNUTCZJZPPBJ-VIFPVBQESA-N 0 3 280.332 -1.152 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001126721571 775655531 /nfs/dbraw/zinc/65/55/31/775655531.db2.gz OEPGVYOYJKFVLO-MRVPVSSYSA-N 0 3 294.315 -1.577 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)cc1=O ZINC001075901021 775657344 /nfs/dbraw/zinc/65/73/44/775657344.db2.gz KZSXIRSZSWYQOH-CMPLNLGQSA-N 0 3 292.339 -1.081 20 0 CAADHN CCn1nncc1C(=O)NCCNCC(=O)N1CCC1 ZINC001126727955 775658882 /nfs/dbraw/zinc/65/88/82/775658882.db2.gz SONKROUMWUJJIP-UHFFFAOYSA-N 0 3 280.332 -1.150 20 0 CAADHN CCn1nncc1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001126726504 775659046 /nfs/dbraw/zinc/65/90/46/775659046.db2.gz BULVQSOJWXWJHD-SECBINFHSA-N 0 3 280.332 -1.152 20 0 CAADHN C[C@@H]1C[C@@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)CC(N)=O ZINC000988431243 775661486 /nfs/dbraw/zinc/66/14/86/775661486.db2.gz KFKSLDBCPGLEHD-HTQZYQBOSA-N 0 3 296.331 -1.937 20 0 CAADHN Cn1nncc1C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001083437246 775663616 /nfs/dbraw/zinc/66/36/16/775663616.db2.gz IVUSXVCQUMEOHH-UMNHJUIQSA-N 0 3 295.343 -1.374 20 0 CAADHN CNC(=O)[C@@H](C)NCCN(CCO)C(=O)C(F)F ZINC001272090719 775664727 /nfs/dbraw/zinc/66/47/27/775664727.db2.gz HDCPFFLAJROGOM-SSDOTTSWSA-N 0 3 267.276 -1.204 20 0 CAADHN Cc1c(C(=O)N2C[C@H](NCC(N)=O)C[C@H]2C)nnn1C ZINC000988474569 775665056 /nfs/dbraw/zinc/66/50/56/775665056.db2.gz WOUJYKIFQNLCIG-VXNVDRBHSA-N 0 3 280.332 -1.199 20 0 CAADHN CN(CCCO)CCN(C)C(=O)c1nnn(C)n1 ZINC001272087466 775665194 /nfs/dbraw/zinc/66/51/94/775665194.db2.gz RPDASIRQJCPVJV-UHFFFAOYSA-N 0 3 256.310 -1.404 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2nccn2)CCN1CCO ZINC001088594169 775665318 /nfs/dbraw/zinc/66/53/18/775665318.db2.gz WZEMKUHVZUKVBY-ZJUUUORDSA-N 0 3 253.306 -1.151 20 0 CAADHN Cc1c(C(=O)N2C[C@@H](NCC(N)=O)C[C@@H]2C)nnn1C ZINC000988474563 775665354 /nfs/dbraw/zinc/66/53/54/775665354.db2.gz WOUJYKIFQNLCIG-CBAPKCEASA-N 0 3 280.332 -1.199 20 0 CAADHN CO[C@@H](C)CN1C[C@@H](NC(=O)CC(N)=O)[C@H](OC)C1 ZINC001212070887 775669956 /nfs/dbraw/zinc/66/99/56/775669956.db2.gz BQFFMKRAUOYAON-IVZWLZJFSA-N 0 3 273.333 -1.288 20 0 CAADHN CO[C@@H]1CN(CCC[C@H](C)O)C[C@H]1NC(=O)CC(N)=O ZINC001212071160 775670456 /nfs/dbraw/zinc/67/04/56/775670456.db2.gz JIOHDWGIRBCBME-HBNTYKKESA-N 0 3 287.360 -1.162 20 0 CAADHN CO[C@H](C)CN1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)[C@@H](O)C1 ZINC001083452447 775674714 /nfs/dbraw/zinc/67/47/14/775674714.db2.gz KQJWNDQWQPIUCZ-IEBDPFPHSA-N 0 3 297.359 -1.148 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)[C@H]1CCOC1 ZINC001272125254 775676135 /nfs/dbraw/zinc/67/61/35/775676135.db2.gz XRWDWHIIXYKBIZ-VIFPVBQESA-N 0 3 259.306 -2.081 20 0 CAADHN CO[C@@H](C)C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001272124801 775676605 /nfs/dbraw/zinc/67/66/05/775676605.db2.gz OBGNFDAFOGTPRR-BDAKNGLRSA-N 0 3 261.322 -1.694 20 0 CAADHN CCN(C)C(=O)CNCCN(CCO)C(=O)c1cn[nH]c1 ZINC001272116082 775676624 /nfs/dbraw/zinc/67/66/24/775676624.db2.gz BAUDNJXMNYJJBJ-UHFFFAOYSA-N 0 3 297.359 -1.088 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)[C@@H]1CCOC1 ZINC001272124727 775676636 /nfs/dbraw/zinc/67/66/36/775676636.db2.gz LGKBPPVIFCICQE-LLVKDONJSA-N 0 3 287.360 -1.478 20 0 CAADHN CN(C)C(=O)CNCCN(CCO)C(=O)[C@H]1CCOC1 ZINC001272124728 775676718 /nfs/dbraw/zinc/67/67/18/775676718.db2.gz LGKBPPVIFCICQE-NSHDSACASA-N 0 3 287.360 -1.478 20 0 CAADHN CO[C@H](C)C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001272124802 775676824 /nfs/dbraw/zinc/67/68/24/775676824.db2.gz OBGNFDAFOGTPRR-DTWKUNHWSA-N 0 3 261.322 -1.694 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)/C=C\c1ccc[nH]1 ZINC001272150488 775678087 /nfs/dbraw/zinc/67/80/87/775678087.db2.gz XIPRRNYXFMPULW-ARJAWSKDSA-N 0 3 280.328 -1.076 20 0 CAADHN NC(=O)CC(=O)N(CCO)CCN[C@@H]1CCCNC1=O ZINC001272130039 775678247 /nfs/dbraw/zinc/67/82/47/775678247.db2.gz YXWFLCHQPBYENA-SECBINFHSA-N 0 3 286.332 -2.449 20 0 CAADHN C[C@H](C(=O)N(CCO)CCNCC(N)=O)C1CC1 ZINC001272135674 775678363 /nfs/dbraw/zinc/67/83/63/775678363.db2.gz BCDFCNRRTDYCFK-VIFPVBQESA-N 0 3 257.334 -1.072 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1ccncc1F ZINC001272135870 775678591 /nfs/dbraw/zinc/67/85/91/775678591.db2.gz CXPOMSQVBCYNGC-UHFFFAOYSA-N 0 3 298.318 -1.009 20 0 CAADHN Cn1cc(CNCCN(CCO)C(=O)CC(N)=O)cn1 ZINC001272129485 775678808 /nfs/dbraw/zinc/67/88/08/775678808.db2.gz HZUNLUWQBDMBTB-UHFFFAOYSA-N 0 3 283.332 -1.794 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1ccc(F)cn1 ZINC001272150339 775678843 /nfs/dbraw/zinc/67/88/43/775678843.db2.gz VFOVFFAWZHDUJF-UHFFFAOYSA-N 0 3 298.318 -1.009 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)c1ncc[nH]1 ZINC001272162750 775680146 /nfs/dbraw/zinc/68/01/46/775680146.db2.gz SYSWEGHWFOJNJB-UHFFFAOYSA-N 0 3 283.332 -1.430 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC1(F)F ZINC001126765673 775681125 /nfs/dbraw/zinc/68/11/25/775681125.db2.gz VUXOIRFYYVJZNG-RXMQYKEDSA-N 0 3 264.232 -1.458 20 0 CAADHN COC1CC(C(=O)N(CCO)CCNCC(N)=O)C1 ZINC001272189147 775681428 /nfs/dbraw/zinc/68/14/28/775681428.db2.gz DVYQHWNPRKTJAP-UHFFFAOYSA-N 0 3 273.333 -1.693 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)Cn1ncnn1 ZINC001272169970 775681542 /nfs/dbraw/zinc/68/15/42/775681542.db2.gz YOZBKYHEPFYMEH-UHFFFAOYSA-N 0 3 285.308 -3.170 20 0 CAADHN C[C@H](O)C[NH2+]CCN(CCO)C(=O)c1cnc[n-]c1=O ZINC001272190669 775682073 /nfs/dbraw/zinc/68/20/73/775682073.db2.gz ZVTBMBOYUDJUEH-VIFPVBQESA-N 0 3 284.316 -1.413 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001083464360 775685345 /nfs/dbraw/zinc/68/53/45/775685345.db2.gz CVPIKJPTQXAIMM-AXFHLTTASA-N 0 3 296.331 -2.129 20 0 CAADHN Cc1cnccc1C(=O)NCCNCC(=O)NC(N)=O ZINC001126787706 775685519 /nfs/dbraw/zinc/68/55/19/775685519.db2.gz IOZWOXYBHHUBEC-UHFFFAOYSA-N 0 3 279.300 -1.096 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CC1(F)F)C(=O)NC(N)=O ZINC001126787573 775685571 /nfs/dbraw/zinc/68/55/71/775685571.db2.gz HHVHSHMMQOZVBP-PHDIDXHHSA-N 0 3 278.259 -1.069 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CC1(F)F)C(=O)NC(N)=O ZINC001126787574 775685645 /nfs/dbraw/zinc/68/56/45/775685645.db2.gz HHVHSHMMQOZVBP-RITPCOANSA-N 0 3 278.259 -1.069 20 0 CAADHN CO[C@@H]1CN(CCO)C[C@H]1NC(=O)CCc1nnc[nH]1 ZINC001212111813 775687358 /nfs/dbraw/zinc/68/73/58/775687358.db2.gz VOFBWTPGYVZKIR-NXEZZACHSA-N 0 3 283.332 -1.455 20 0 CAADHN CN1CCC[C@H]1C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001168318220 775687644 /nfs/dbraw/zinc/68/76/44/775687644.db2.gz DNRZXAGKDYFXRZ-CIUDSAMLSA-N 0 3 268.317 -1.874 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ncc[nH]1 ZINC001126801670 775691154 /nfs/dbraw/zinc/69/11/54/775691154.db2.gz ZONCGDXMPIWQST-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN O=C(CNCCNC(=O)c1ncc[nH]1)N1CCOCC1 ZINC001126806866 775691818 /nfs/dbraw/zinc/69/18/18/775691818.db2.gz OJPTXECXYPCHOT-UHFFFAOYSA-N 0 3 281.316 -1.412 20 0 CAADHN CN(CCNCCNC(=O)c1ncc[nH]1)S(C)(=O)=O ZINC001126806202 775691921 /nfs/dbraw/zinc/69/19/21/775691921.db2.gz FMGCZATWDOVCAJ-UHFFFAOYSA-N 0 3 289.361 -1.380 20 0 CAADHN C[C@H]1CN(C(=O)CNCCNC(=O)c2ncc[nH]2)CCO1 ZINC001126811703 775692311 /nfs/dbraw/zinc/69/23/11/775692311.db2.gz WAYYKPYIAAYVIW-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1ncc[nH]1 ZINC001126806215 775692545 /nfs/dbraw/zinc/69/25/45/775692545.db2.gz FWSNVWUWAMVEPD-ZETCQYMHSA-N 0 3 265.273 -1.466 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1ncc[nH]1 ZINC001126810194 775692834 /nfs/dbraw/zinc/69/28/34/775692834.db2.gz CUYMOCQAEVZLMY-UHFFFAOYSA-N 0 3 275.334 -1.722 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)N(CCO)CCN[C@@H]1CCC(=O)NC1=O ZINC001272225295 775692854 /nfs/dbraw/zinc/69/28/54/775692854.db2.gz NTURBSOKLGPWSE-GMTAPVOTSA-N 0 3 297.355 -1.142 20 0 CAADHN C[C@@H]1C[C@H]1C(=O)N(CCO)CCN[C@H]1CCC(=O)NC1=O ZINC001272225303 775692932 /nfs/dbraw/zinc/69/29/32/775692932.db2.gz NTURBSOKLGPWSE-MXWKQRLJSA-N 0 3 297.355 -1.142 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1ncc[nH]1 ZINC001126806214 775692956 /nfs/dbraw/zinc/69/29/56/775692956.db2.gz FWSNVWUWAMVEPD-SSDOTTSWSA-N 0 3 265.273 -1.466 20 0 CAADHN O=C(CNCCNC(=O)c1ncc[nH]1)NC[C@@H]1CCOC1 ZINC001126810419 775692963 /nfs/dbraw/zinc/69/29/63/775692963.db2.gz FHWUYWLJEOSFBV-JTQLQIEISA-N 0 3 295.343 -1.118 20 0 CAADHN C[C@H](NCCNC(=O)c1ncc[nH]1)C(=O)NC(N)=O ZINC001126828153 775694472 /nfs/dbraw/zinc/69/44/72/775694472.db2.gz LAQXPWOJTAWCGQ-LURJTMIESA-N 0 3 268.277 -1.688 20 0 CAADHN Cn1cnn(CC(=O)N2CC[C@H]3CN(CCO)C[C@H]32)c1=O ZINC001075970281 775695255 /nfs/dbraw/zinc/69/52/55/775695255.db2.gz RSERSSKZKZZRDR-WDEREUQCSA-N 0 3 295.343 -1.893 20 0 CAADHN CCCN1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001083473682 775696280 /nfs/dbraw/zinc/69/62/80/775696280.db2.gz PAYOETQFXZTTNV-BDAKNGLRSA-N 0 3 296.331 -2.052 20 0 CAADHN CCN(CC)CC(=O)NCC[C@H](C)NC(=O)C(N)=O ZINC001076628507 775734052 /nfs/dbraw/zinc/73/40/52/775734052.db2.gz QCCSTKJCCKQNBF-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN Cc1c[nH]nc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001126851589 775699965 /nfs/dbraw/zinc/69/99/65/775699965.db2.gz BPLQPSMUKBGKQC-MRVPVSSYSA-N 0 3 251.290 -1.074 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CC1(O)CCC1 ZINC001126848655 775700917 /nfs/dbraw/zinc/70/09/17/775700917.db2.gz YXJRTJDMOMCOIC-UHFFFAOYSA-N 0 3 272.305 -1.808 20 0 CAADHN C[C@@H](O)CN1CC[C@H](NC(=O)c2nnn(C)n2)[C@H]1C ZINC001088800854 775702320 /nfs/dbraw/zinc/70/23/20/775702320.db2.gz WHABBNYUFWNERD-HLTSFMKQSA-N 0 3 268.321 -1.217 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCNC2=O)CCN1CCO ZINC001088794720 775702933 /nfs/dbraw/zinc/70/29/33/775702933.db2.gz SKPDFOYCKQKUQS-BBBLOLIVSA-N 0 3 255.318 -1.306 20 0 CAADHN Cc1c[nH]nc1C(=O)NCCNCC(=O)NC(N)=O ZINC001126852601 775703124 /nfs/dbraw/zinc/70/31/24/775703124.db2.gz SYBXUOSSMSTOND-UHFFFAOYSA-N 0 3 268.277 -1.768 20 0 CAADHN C[C@@H](NCCNC(=O)CC1(O)CCC1)C(=O)NC(N)=O ZINC001126860461 775703816 /nfs/dbraw/zinc/70/38/16/775703816.db2.gz KADPZWAOSPMTLA-MRVPVSSYSA-N 0 3 286.332 -1.419 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1n[nH]cc1C ZINC001126869762 775705869 /nfs/dbraw/zinc/70/58/69/775705869.db2.gz RFIJAXOBTLTONF-QMMMGPOBSA-N 0 3 296.331 -1.118 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN2CCOCC2=O)[C@@H](O)C1 ZINC001083530588 775712869 /nfs/dbraw/zinc/71/28/69/775712869.db2.gz VMPQSWUOXFHWTC-MNOVXSKESA-N 0 3 285.344 -1.585 20 0 CAADHN Cc1nnc(CC(=O)NCCNCC(=O)NC(N)=O)[nH]1 ZINC001126912794 775713350 /nfs/dbraw/zinc/71/33/50/775713350.db2.gz VWTAFMJPRAGDKD-UHFFFAOYSA-N 0 3 283.292 -2.444 20 0 CAADHN C[C@H]1COCC[C@H]1C(=O)N(CCO)CCNCC(N)=O ZINC001272250828 775713735 /nfs/dbraw/zinc/71/37/35/775713735.db2.gz GGNVOWORDVEAEZ-WDEREUQCSA-N 0 3 287.360 -1.445 20 0 CAADHN Cc1nnc(CC(=O)NCCNCCS(C)(=O)=O)[nH]1 ZINC001126912126 775713815 /nfs/dbraw/zinc/71/38/15/775713815.db2.gz FCWIICCNZDVTPE-UHFFFAOYSA-N 0 3 289.361 -1.594 20 0 CAADHN Cc1nnc(CC(=O)NCCNCC(=O)NC2CC2)[nH]1 ZINC001126912308 775714115 /nfs/dbraw/zinc/71/41/15/775714115.db2.gz IPGAXLRKGJUAIX-UHFFFAOYSA-N 0 3 280.332 -1.360 20 0 CAADHN Cc1nnc(CC(=O)NCCNCC(=O)NCC2CC2)[nH]1 ZINC001126912289 775714730 /nfs/dbraw/zinc/71/47/30/775714730.db2.gz HZDNDYIWJVUQPN-UHFFFAOYSA-N 0 3 294.359 -1.112 20 0 CAADHN COCCN1CC[C@H](NC(=O)[C@H]2CNC(=O)N2)[C@H]1C ZINC001088828683 775715022 /nfs/dbraw/zinc/71/50/22/775715022.db2.gz QVIBISKYCXLAOK-KXUCPTDWSA-N 0 3 270.333 -1.107 20 0 CAADHN Cc1nnc(CC(=O)NCCNCC(=O)N(C)C2CC2)[nH]1 ZINC001126912290 775715232 /nfs/dbraw/zinc/71/52/32/775715232.db2.gz HZOLUAXPSNVGFY-UHFFFAOYSA-N 0 3 294.359 -1.018 20 0 CAADHN CCCN1C[C@@H](NC(=O)c2cc(=O)n(C)cn2)[C@@H](O)C1 ZINC001083537328 775715974 /nfs/dbraw/zinc/71/59/74/775715974.db2.gz ORSHPSDAZMOMQW-MNOVXSKESA-N 0 3 280.328 -1.035 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)cc1=O ZINC001083537739 775717249 /nfs/dbraw/zinc/71/72/49/775717249.db2.gz NBKZXIWEZYDVCR-NEPJUHHUSA-N 0 3 292.339 -1.035 20 0 CAADHN CN1C[C@@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)NC1=O ZINC001076134893 775718728 /nfs/dbraw/zinc/71/87/28/775718728.db2.gz ZJDQSSBBBNYFCG-GARJFASQSA-N 0 3 282.344 -1.465 20 0 CAADHN CN1C[C@H](C(=O)N2CC[C@H]3CN(CCO)C[C@H]32)NC1=O ZINC001076134894 775719574 /nfs/dbraw/zinc/71/95/74/775719574.db2.gz ZJDQSSBBBNYFCG-HBNTYKKESA-N 0 3 282.344 -1.465 20 0 CAADHN O=C(CN1CCNC(=O)C1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076128165 775720448 /nfs/dbraw/zinc/72/04/48/775720448.db2.gz GMWGUWOFUDWNMB-NWDGAFQWSA-N 0 3 296.371 -2.057 20 0 CAADHN O=C([C@H]1CNC(=O)N1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076195194 775721308 /nfs/dbraw/zinc/72/13/08/775721308.db2.gz KWPSPCAMWVMJBN-IVZWLZJFSA-N 0 3 268.317 -1.807 20 0 CAADHN COCCN1C[C@@H]2CCN(C(=O)[C@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076195740 775721434 /nfs/dbraw/zinc/72/14/34/775721434.db2.gz UIJGZGFGJHVPPR-HBNTYKKESA-N 0 3 282.344 -1.153 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2CN([C@@H]3CCCNC3=O)C[C@H]21 ZINC001076198876 775722270 /nfs/dbraw/zinc/72/22/70/775722270.db2.gz REUSDTPAUWBQLM-IVZWLZJFSA-N 0 3 280.328 -1.717 20 0 CAADHN COCCN1C[C@@H]2CCN(C(=O)[C@@H]3CNC(=O)N3)[C@@H]2C1 ZINC001076195739 775722530 /nfs/dbraw/zinc/72/25/30/775722530.db2.gz UIJGZGFGJHVPPR-GARJFASQSA-N 0 3 282.344 -1.153 20 0 CAADHN NC(=O)CN1C[C@@H]2CCN(C(=O)CCc3cnn[nH]3)[C@@H]2C1 ZINC001076261488 775724006 /nfs/dbraw/zinc/72/40/06/775724006.db2.gz LRYAVCYVELYTFG-GXSJLCMTSA-N 0 3 292.343 -1.245 20 0 CAADHN O=C(C1CC(=O)NC(=O)C1)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076355876 775726778 /nfs/dbraw/zinc/72/67/78/775726778.db2.gz JAYJCDXPCHXOQA-GXSJLCMTSA-N 0 3 295.339 -1.436 20 0 CAADHN Cc1ccc(C(=O)NCCN[C@@H]2CCNC2=O)nn1 ZINC001126932060 775730901 /nfs/dbraw/zinc/73/09/01/775730901.db2.gz GVMKPHFVLXSWQN-SECBINFHSA-N 0 3 263.301 -1.007 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076548894 775732584 /nfs/dbraw/zinc/73/25/84/775732584.db2.gz MGZVQEHEZMLEBU-WDEREUQCSA-N 0 3 295.339 -1.340 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001076648786 775734573 /nfs/dbraw/zinc/73/45/73/775734573.db2.gz HVOBUUMZYVGWAL-GARJFASQSA-N 0 3 295.339 -1.436 20 0 CAADHN Cc1ccc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)nn1 ZINC001126943130 775743152 /nfs/dbraw/zinc/74/31/52/775743152.db2.gz MEODWRDVGAPYPG-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CN(CCC2CC2)C[C@H]1O ZINC001076723331 775745163 /nfs/dbraw/zinc/74/51/63/775745163.db2.gz WSBZYAIOLDLXPF-GHMZBOCLSA-N 0 3 280.332 -1.366 20 0 CAADHN O=C(Cn1cnnn1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001076723360 775745384 /nfs/dbraw/zinc/74/53/84/775745384.db2.gz XSGDFGPZQIUZFW-HBNTYKKESA-N 0 3 296.331 -2.129 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@@H]1COCCO1 ZINC001076760749 775749107 /nfs/dbraw/zinc/74/91/07/775749107.db2.gz QLKQWASAJKTFBW-UTUOFQBUSA-N 0 3 270.329 -1.027 20 0 CAADHN Cc1cn(C)nc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001126948617 775754950 /nfs/dbraw/zinc/75/49/50/775754950.db2.gz FMFUHOLBOHWJIY-SECBINFHSA-N 0 3 265.317 -1.064 20 0 CAADHN CN1CCC[C@@H]1C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001076805405 775758184 /nfs/dbraw/zinc/75/81/84/775758184.db2.gz GHNDHFUJETVPLZ-GMTAPVOTSA-N 0 3 257.334 -1.766 20 0 CAADHN CN1CCC[C@H]1C(=O)N[C@@H]1CN(CCCO)C[C@H]1O ZINC001076805557 775758228 /nfs/dbraw/zinc/75/82/28/775758228.db2.gz MHSRHEQNXTVSGU-GRYCIOLGSA-N 0 3 271.361 -1.376 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1nn(C)cc1C ZINC001126949700 775758988 /nfs/dbraw/zinc/75/89/88/775758988.db2.gz WPRNYGATHUWHJB-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC001076810727 775761441 /nfs/dbraw/zinc/76/14/41/775761441.db2.gz QECVFUVIIMIZIB-OPRDCNLKSA-N 0 3 255.318 -1.164 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001076838842 775763662 /nfs/dbraw/zinc/76/36/62/775763662.db2.gz OFJBQAIBOHPKPL-UTUOFQBUSA-N 0 3 271.361 -1.112 20 0 CAADHN Cc1cc(CC(=O)N[C@@H]2CN(C[C@@H](C)O)C[C@H]2O)[nH]n1 ZINC001076870240 775766894 /nfs/dbraw/zinc/76/68/94/775766894.db2.gz PNPYDNHFQWLUHY-YUSALJHKSA-N 0 3 282.344 -1.197 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN2CN=NC2=O)C1 ZINC001076910415 775772496 /nfs/dbraw/zinc/77/24/96/775772496.db2.gz OEUXLSYPSOSUJT-RKDXNWHRSA-N 0 3 269.305 -1.447 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001076905112 775773316 /nfs/dbraw/zinc/77/33/16/775773316.db2.gz YQZMYCOPOMERRG-NXEZZACHSA-N 0 3 281.316 -1.445 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2COCCN2C)C1 ZINC001076908718 775774057 /nfs/dbraw/zinc/77/40/57/775774057.db2.gz PCOSUFLCMRGWOD-IJLUTSLNSA-N 0 3 271.361 -1.113 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001076908438 775774169 /nfs/dbraw/zinc/77/41/69/775774169.db2.gz FTZRJDXPLFHHIH-JHJVBQTASA-N 0 3 283.372 -1.112 20 0 CAADHN O=C(NCCNS(=O)(=O)N1CCNCC1)C1CC1 ZINC000160809550 775779767 /nfs/dbraw/zinc/77/97/67/775779767.db2.gz VLCUDEZCGHDCIR-UHFFFAOYSA-N 0 3 276.362 -1.748 20 0 CAADHN Cn1nncc1C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001076950076 775780350 /nfs/dbraw/zinc/78/03/50/775780350.db2.gz IVUSXVCQUMEOHH-HOSYDEDBSA-N 0 3 295.343 -1.374 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)nn1 ZINC001076960589 775782112 /nfs/dbraw/zinc/78/21/12/775782112.db2.gz LEPCGAGYJMIZLR-HOSYDEDBSA-N 0 3 295.343 -1.374 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)nn1 ZINC001076960588 775783653 /nfs/dbraw/zinc/78/36/53/775783653.db2.gz LEPCGAGYJMIZLR-CKYFFXLPSA-N 0 3 295.343 -1.374 20 0 CAADHN CO[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001076980563 775784645 /nfs/dbraw/zinc/78/46/45/775784645.db2.gz KQJWNDQWQPIUCZ-FBIMIBRVSA-N 0 3 297.359 -1.148 20 0 CAADHN COCCN1C[C@@H](O)[C@H](NC(=O)Cc2n[nH]c(C)n2)C1 ZINC001076978819 775784700 /nfs/dbraw/zinc/78/47/00/775784700.db2.gz ZKEJSYIIDZHMSO-NXEZZACHSA-N 0 3 283.332 -1.537 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077004065 775787060 /nfs/dbraw/zinc/78/70/60/775787060.db2.gz LORFYCGZUKWRSE-NXEZZACHSA-N 0 3 268.321 -1.510 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077003989 775787459 /nfs/dbraw/zinc/78/74/59/775787459.db2.gz IIBCSFLECGSLGQ-RKDXNWHRSA-N 0 3 254.294 -1.756 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077004060 775788321 /nfs/dbraw/zinc/78/83/21/775788321.db2.gz LDGDZRQKUXQQQO-NXEZZACHSA-N 0 3 268.321 -1.366 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001077004003 775788608 /nfs/dbraw/zinc/78/86/08/775788608.db2.gz IYWBIFFUQOFMQL-RKDXNWHRSA-N 0 3 254.294 -1.757 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001077026878 775789328 /nfs/dbraw/zinc/78/93/28/775789328.db2.gz PAYOETQFXZTTNV-RKDXNWHRSA-N 0 3 296.331 -2.052 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001077063518 775792549 /nfs/dbraw/zinc/79/25/49/775792549.db2.gz QQAYGODTBLMGFQ-QJPTWQEYSA-N 0 3 295.343 -1.524 20 0 CAADHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CN(CC(N)=O)C[C@H]1O ZINC001077092451 775795245 /nfs/dbraw/zinc/79/52/45/775795245.db2.gz UWPBPZLTFRGENH-IJLUTSLNSA-N 0 3 298.387 -1.493 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001077142140 775796454 /nfs/dbraw/zinc/79/64/54/775796454.db2.gz UKJDFRFBVKRONU-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077157351 775798688 /nfs/dbraw/zinc/79/86/88/775798688.db2.gz GTSRDGBQCDRRIC-DJLDLDEBSA-N 0 3 284.316 -1.844 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)cc1=O ZINC001077162282 775800217 /nfs/dbraw/zinc/80/02/17/775800217.db2.gz NBKZXIWEZYDVCR-VXGBXAGGSA-N 0 3 292.339 -1.035 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001077157595 775800746 /nfs/dbraw/zinc/80/07/46/775800746.db2.gz UBEAMGGEOKFZFV-DJLDLDEBSA-N 0 3 284.316 -1.846 20 0 CAADHN Cn1ccc(CC(=O)NCCNCC(=O)N2CCC2)n1 ZINC001126966309 775804279 /nfs/dbraw/zinc/80/42/79/775804279.db2.gz RELQHPQFQCHBFL-UHFFFAOYSA-N 0 3 279.344 -1.099 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN2CCN(C)C(=O)C2)C1 ZINC001077253910 775806850 /nfs/dbraw/zinc/80/68/50/775806850.db2.gz CDFSWXTVLWBQHL-VXGBXAGGSA-N 0 3 298.387 -1.670 20 0 CAADHN CCN1C[C@@H](O)[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001077199272 775806920 /nfs/dbraw/zinc/80/69/20/775806920.db2.gz FVZZKOJCPAKZTK-RKDXNWHRSA-N 0 3 252.274 -1.023 20 0 CAADHN Cn1cnn(CC(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)c1=O ZINC001077264110 775807602 /nfs/dbraw/zinc/80/76/02/775807602.db2.gz DLSPDRDXVSSPQO-GHMZBOCLSA-N 0 3 295.343 -1.847 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)Cn2ncn(C)c2=O)C1 ZINC001077264316 775808988 /nfs/dbraw/zinc/80/89/88/775808988.db2.gz OIRLKPOSFQMTII-GHMZBOCLSA-N 0 3 297.359 -1.457 20 0 CAADHN CO[C@H](C)CN1C[C@@H](O)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001077287251 775812996 /nfs/dbraw/zinc/81/29/96/775812996.db2.gz QQWFFUYMWNGTLL-SZEHBUNVSA-N 0 3 269.305 -1.386 20 0 CAADHN Cn1ccc(CC(=O)NCCN[C@H]2CCCNC2=O)n1 ZINC001126971643 775816992 /nfs/dbraw/zinc/81/69/92/775816992.db2.gz LIXPXPQKMKNNEL-NSHDSACASA-N 0 3 279.344 -1.053 20 0 CAADHN Cn1ccc(CC(=O)NCCNCC(=O)NC2CC2)n1 ZINC001126971420 775817290 /nfs/dbraw/zinc/81/72/90/775817290.db2.gz BUDMZUDKYHYRFQ-UHFFFAOYSA-N 0 3 279.344 -1.053 20 0 CAADHN Cn1ccc(CC(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001126971552 775818280 /nfs/dbraw/zinc/81/82/80/775818280.db2.gz HYOHVVRWURQMKU-JTQLQIEISA-N 0 3 265.317 -1.443 20 0 CAADHN C[C@H](NCCNC(=O)Cc1ccn(C)n1)C(=O)NC(N)=O ZINC001126975256 775820003 /nfs/dbraw/zinc/82/00/03/775820003.db2.gz CNMAVHDAGDWSNF-QMMMGPOBSA-N 0 3 296.331 -1.748 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cc1ccn(C)n1 ZINC001126975539 775820264 /nfs/dbraw/zinc/82/02/64/775820264.db2.gz GPBNMPIGGXLMMC-SECBINFHSA-N 0 3 267.333 -1.197 20 0 CAADHN CC[C@H](NCCNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001126976572 775821865 /nfs/dbraw/zinc/82/18/65/775821865.db2.gz ZZAJJDFPBVAXIM-JTQLQIEISA-N 0 3 267.333 -1.068 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)ncc1=O ZINC001077413198 775822037 /nfs/dbraw/zinc/82/20/37/775822037.db2.gz KICOUQZWEALTCR-ZYHUDNBSSA-N 0 3 292.339 -1.035 20 0 CAADHN CC[C@@H](NCCNC(=O)Cc1ccn(C)n1)C(N)=O ZINC001126976576 775822281 /nfs/dbraw/zinc/82/22/81/775822281.db2.gz ZZAJJDFPBVAXIM-SNVBAGLBSA-N 0 3 267.333 -1.068 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083586544 775825066 /nfs/dbraw/zinc/82/50/66/775825066.db2.gz ZVJBJLSTVXTJCH-ZJUUUORDSA-N 0 3 283.332 -1.849 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001083583026 775825929 /nfs/dbraw/zinc/82/59/29/775825929.db2.gz PNKSNEXZUKAKHP-NEPJUHHUSA-N 0 3 298.387 -1.668 20 0 CAADHN CCCCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@@H](O)C1 ZINC001083586335 775826853 /nfs/dbraw/zinc/82/68/53/775826853.db2.gz OIRLKPOSFQMTII-MNOVXSKESA-N 0 3 297.359 -1.457 20 0 CAADHN CO[C@H](C)CN1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083598350 775830095 /nfs/dbraw/zinc/83/00/95/775830095.db2.gz QQWFFUYMWNGTLL-QNSHHTMESA-N 0 3 269.305 -1.386 20 0 CAADHN COC[C@H](C)N1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083596668 775830386 /nfs/dbraw/zinc/83/03/86/775830386.db2.gz JZXACFUTPKRLGM-SFGNSQDASA-N 0 3 269.305 -1.386 20 0 CAADHN C[C@H](O)CN1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](O)C1 ZINC001083598105 775831749 /nfs/dbraw/zinc/83/17/49/775831749.db2.gz FILIQPHZPVBTEQ-ZQARSLAVSA-N 0 3 255.278 -2.040 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)Cn2ccc(=O)[nH]c2=O)[C@@H](O)C1 ZINC001083613191 775835270 /nfs/dbraw/zinc/83/52/70/775835270.db2.gz IVFSUDPBYGWUFK-ZJUUUORDSA-N 0 3 296.327 -1.481 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)N1CCCC1)C(N)=O ZINC001127034990 775840425 /nfs/dbraw/zinc/84/04/25/775840425.db2.gz BRDLZQIMUWGRHX-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN COCCN1C[C@@H](NC(=O)Cn2cncc2C)[C@@H](O)C1 ZINC001083645071 775842684 /nfs/dbraw/zinc/84/26/84/775842684.db2.gz JSRCFXCVDYRUQB-NEPJUHHUSA-N 0 3 282.344 -1.001 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cn(CCOC)nn1 ZINC001127056992 775845432 /nfs/dbraw/zinc/84/54/32/775845432.db2.gz QOOQBBDJOJJXNB-SECBINFHSA-N 0 3 298.347 -1.622 20 0 CAADHN CN(C)S(=O)(=O)N(C)CC(=O)NCCNCC(N)=O ZINC001127098582 775855227 /nfs/dbraw/zinc/85/52/27/775855227.db2.gz ATHRUCJWXJEVSS-UHFFFAOYSA-N 0 3 295.365 -3.084 20 0 CAADHN CCN(C)C(=O)CNC[C@@H](O)CNC(=O)COC ZINC001272343114 775896397 /nfs/dbraw/zinc/89/63/97/775896397.db2.gz KXJRQOHWAULBNB-SECBINFHSA-N 0 3 261.322 -1.822 20 0 CAADHN O=C(CNCCNC(=O)CO[C@@H]1CCOC1)NC1CC1 ZINC001127133632 775862149 /nfs/dbraw/zinc/86/21/49/775862149.db2.gz ADFQAISOZPCIKP-LLVKDONJSA-N 0 3 285.344 -1.224 20 0 CAADHN CCO[C@H](C)C(=O)NC[C@H](O)CNCC(=O)NC ZINC001272373557 775901975 /nfs/dbraw/zinc/90/19/75/775901975.db2.gz XCWQEASNSOZBAX-RKDXNWHRSA-N 0 3 261.322 -1.776 20 0 CAADHN O=C(CO[C@H]1CCOC1)NCCNCC(=O)N1CCC1 ZINC001127135264 775863845 /nfs/dbraw/zinc/86/38/45/775863845.db2.gz VRFLSMJOJJHUPN-NSHDSACASA-N 0 3 285.344 -1.270 20 0 CAADHN O=C(CO[C@H]1CCOC1)NCCN[C@@H]1CCCNC1=O ZINC001127134788 775864373 /nfs/dbraw/zinc/86/43/73/775864373.db2.gz PQBTWYAGMWGLRX-WDEREUQCSA-N 0 3 285.344 -1.224 20 0 CAADHN CCNC(=O)CNCCNC(=O)CO[C@H]1CCOC1 ZINC001127134960 775864650 /nfs/dbraw/zinc/86/46/50/775864650.db2.gz RWCTWEYIHFRCFW-JTQLQIEISA-N 0 3 273.333 -1.366 20 0 CAADHN CNC(=O)CNCCNC(=O)CO[C@H]1CCOC1 ZINC001127134726 775864692 /nfs/dbraw/zinc/86/46/92/775864692.db2.gz OOJKZKMLQPFVPI-VIFPVBQESA-N 0 3 259.306 -1.756 20 0 CAADHN O=C(CO[C@@H]1CCOC1)NCCN[C@H]1CCC(=O)NC1=O ZINC001127140657 775865193 /nfs/dbraw/zinc/86/51/93/775865193.db2.gz FTRPPJVPTNQHFT-ZJUUUORDSA-N 0 3 299.327 -1.697 20 0 CAADHN O=C(CO[C@H]1CCOC1)NCCN[C@H]1CCC(=O)NC1=O ZINC001127140653 775865682 /nfs/dbraw/zinc/86/56/82/775865682.db2.gz FTRPPJVPTNQHFT-UWVGGRQHSA-N 0 3 299.327 -1.697 20 0 CAADHN C[C@@H](NCCNC(=O)CO[C@@H]1CCOC1)C(N)=O ZINC001127140704 775866566 /nfs/dbraw/zinc/86/65/66/775866566.db2.gz GPWLOLKADFSBJK-RKDXNWHRSA-N 0 3 259.306 -1.629 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CO[C@@H]1CCOC1 ZINC001127142163 775867099 /nfs/dbraw/zinc/86/70/99/775867099.db2.gz NKIGLKXQXUJBLK-NXEZZACHSA-N 0 3 273.333 -1.368 20 0 CAADHN C[C@H](NCCNC(=O)CO[C@H]1CCOC1)C(=O)N(C)C ZINC001127140140 775867426 /nfs/dbraw/zinc/86/74/26/775867426.db2.gz CRLGNGMXPBOPAC-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@@H](NCCNC(=O)CO[C@H]1CCOC1)C(N)=O ZINC001127140699 775867475 /nfs/dbraw/zinc/86/74/75/775867475.db2.gz GPWLOLKADFSBJK-BDAKNGLRSA-N 0 3 259.306 -1.629 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CO[C@H]2CCOC2)C1=O ZINC001127142459 775867547 /nfs/dbraw/zinc/86/75/47/775867547.db2.gz NKLUOGSLPHGQEW-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@@H](C)NC(N)=O)C(N)=O ZINC001127153925 775867858 /nfs/dbraw/zinc/86/78/58/775867858.db2.gz GOGOWUHVOPOHSA-SFYZADRCSA-N 0 3 273.337 -1.597 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@@H](C)NC(N)=O)C(N)=O ZINC001127153923 775868129 /nfs/dbraw/zinc/86/81/29/775868129.db2.gz GOGOWUHVOPOHSA-HTQZYQBOSA-N 0 3 273.337 -1.597 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C[C@H](C)NC(N)=O ZINC001127148459 775868188 /nfs/dbraw/zinc/86/81/88/775868188.db2.gz VIMKMNNYIHYJFW-VIFPVBQESA-N 0 3 287.364 -1.335 20 0 CAADHN CC[C@@H](NCCNC(=O)CO[C@H]1CCOC1)C(N)=O ZINC001127143005 775868799 /nfs/dbraw/zinc/86/87/99/775868799.db2.gz VSKFODIFNWBFJT-VHSXEESVSA-N 0 3 273.333 -1.238 20 0 CAADHN CC[C@@H](NCCNC(=O)CO[C@@H]1CCOC1)C(N)=O ZINC001127143003 775868912 /nfs/dbraw/zinc/86/89/12/775868912.db2.gz VSKFODIFNWBFJT-NXEZZACHSA-N 0 3 273.333 -1.238 20 0 CAADHN C[C@H](CC(=O)NCCN[C@@H]1CCN(C)C1=O)NC(N)=O ZINC001127153842 775869125 /nfs/dbraw/zinc/86/91/25/775869125.db2.gz DUEGWYIGNZBCHP-RKDXNWHRSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](CC(=O)NCCNCC(=O)N(C)C1CC1)NC(N)=O ZINC001127160897 775869759 /nfs/dbraw/zinc/86/97/59/775869759.db2.gz CBFPKHMCTVQUDO-VIFPVBQESA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CC(=O)NCCNCC(=O)NCC1CC1)NC(N)=O ZINC001127161560 775870783 /nfs/dbraw/zinc/87/07/83/775870783.db2.gz FPECILQXMQBPIV-VIFPVBQESA-N 0 3 299.375 -1.335 20 0 CAADHN C[C@@H](CC(=O)NCCN[C@@H]1CCCNC1=O)NC(N)=O ZINC001127163606 775871534 /nfs/dbraw/zinc/87/15/34/775871534.db2.gz YPHSLJGXSCACKX-DTWKUNHWSA-N 0 3 285.348 -1.582 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)c1nc(C)c[nH]1 ZINC001272271728 775872633 /nfs/dbraw/zinc/87/26/33/775872633.db2.gz MLLGRLAXINEPDC-UHFFFAOYSA-N 0 3 297.359 -1.122 20 0 CAADHN Cc1cccn(CC(=O)NCCN[C@@H](C)C(N)=O)c1=O ZINC001127181785 775875101 /nfs/dbraw/zinc/87/51/01/775875101.db2.gz QBKQNTDXJPIGER-JTQLQIEISA-N 0 3 280.328 -1.264 20 0 CAADHN C[C@@H](NC(=O)C(=O)N1CCNCCNCC1)[C@@H]1CCOC1 ZINC001120418658 775875209 /nfs/dbraw/zinc/87/52/09/775875209.db2.gz LHCAMFPFXFWVFY-VXGBXAGGSA-N 0 3 298.387 -1.451 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1cccc(C)c1=O ZINC001127181763 775875560 /nfs/dbraw/zinc/87/55/60/775875560.db2.gz PABMLCLTNBCBBV-UHFFFAOYSA-N 0 3 280.328 -1.391 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1cccc(C)c1=O ZINC001127180729 775875541 /nfs/dbraw/zinc/87/55/41/775875541.db2.gz AEOPKDSSNQFSSU-UHFFFAOYSA-N 0 3 294.355 -1.001 20 0 CAADHN Cc1cccn(CC(=O)NCCNCC(N)=O)c1=O ZINC001127181801 775875651 /nfs/dbraw/zinc/87/56/51/775875651.db2.gz RIBCVRLMQRWJAU-UHFFFAOYSA-N 0 3 266.301 -1.652 20 0 CAADHN CC1(O)CCC(NC(=O)C(=O)NC[C@H]2CNCCO2)CC1 ZINC001120438218 775876523 /nfs/dbraw/zinc/87/65/23/775876523.db2.gz MZAPLWWGPLCVGA-IQLKVPPVSA-N 0 3 299.371 -1.099 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1CCCO ZINC001088855232 775877583 /nfs/dbraw/zinc/87/75/83/775877583.db2.gz WINCYFUCCJJSTE-NOOOWODRSA-N 0 3 299.371 -1.019 20 0 CAADHN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)C(=O)N1CCNCCNCC1 ZINC001120528309 775878723 /nfs/dbraw/zinc/87/87/23/775878723.db2.gz PTUKSDKGAZBSLE-ZSBIGDGJSA-N 0 3 280.372 -1.078 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CCN1CCO ZINC001088926845 775882464 /nfs/dbraw/zinc/88/24/64/775882464.db2.gz WISVSLNOSNIXGV-BDAKNGLRSA-N 0 3 284.316 -1.891 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)CCN1CCO ZINC001089027572 775885198 /nfs/dbraw/zinc/88/51/98/775885198.db2.gz YOZUMMIYCIDZJO-ZJUUUORDSA-N 0 3 298.343 -1.548 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CCN1CCO ZINC001089046736 775885246 /nfs/dbraw/zinc/88/52/46/775885246.db2.gz XGDILOYEKHNPAG-KXUCPTDWSA-N 0 3 291.373 -1.751 20 0 CAADHN CC(=O)N1CCO[C@H](C(=O)N[C@H]2CCN(CCO)[C@@H]2C)C1 ZINC001089015018 775885339 /nfs/dbraw/zinc/88/53/39/775885339.db2.gz XZADLKJOGRPMLX-WXHSDQCUSA-N 0 3 299.371 -1.195 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2)CCN1CCO ZINC001088991752 775886207 /nfs/dbraw/zinc/88/62/07/775886207.db2.gz PTUCFTKNHVLMRZ-UTLUCORTSA-N 0 3 255.318 -1.164 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N[C@H]1CCN(CCO)[C@@H]1C ZINC001089049453 775886231 /nfs/dbraw/zinc/88/62/31/775886231.db2.gz LNTZWFZNQBLNCX-KGYLQXTDSA-N 0 3 299.371 -1.195 20 0 CAADHN COCCn1cc(C(=O)NCCNCC(N)=O)c(C)n1 ZINC001127211701 775886526 /nfs/dbraw/zinc/88/65/26/775886526.db2.gz FIFIIYBTIHZFOI-UHFFFAOYSA-N 0 3 283.332 -1.357 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1CCO ZINC001089025435 775886992 /nfs/dbraw/zinc/88/69/92/775886992.db2.gz GSUBDAONXJEMSW-ZJUUUORDSA-N 0 3 253.306 -1.151 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)[C@]1(C)CCOC1 ZINC001272285029 775887539 /nfs/dbraw/zinc/88/75/39/775887539.db2.gz YWTQWXHPUFXUHE-CYBMUJFWSA-N 0 3 287.360 -1.431 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1(C(F)F)CC1 ZINC001127219109 775887555 /nfs/dbraw/zinc/88/75/55/775887555.db2.gz JWQOZMWPYYHDAW-UHFFFAOYSA-N 0 3 278.259 -1.068 20 0 CAADHN C[C@@H]1[C@@H](NC(=O)c2cn(C)c(=O)n2C)CCN1CCO ZINC001089064448 775888580 /nfs/dbraw/zinc/88/85/80/775888580.db2.gz CQAYZJYRFSHGES-ZJUUUORDSA-N 0 3 282.344 -1.091 20 0 CAADHN Cc1nc[nH]c1CC(=O)N(CCO)CCNCC(N)=O ZINC001272300199 775890125 /nfs/dbraw/zinc/89/01/25/775890125.db2.gz CCMNGQMJKMZYQA-UHFFFAOYSA-N 0 3 283.332 -1.844 20 0 CAADHN CO[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2[n-]nnc2C)C1 ZINC001077494962 775890421 /nfs/dbraw/zinc/89/04/21/775890421.db2.gz LHQBQPREUKDOIL-SZEHBUNVSA-N 0 3 283.332 -1.077 20 0 CAADHN CO[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2[n-]nnc2C)C1 ZINC001077494962 775890428 /nfs/dbraw/zinc/89/04/28/775890428.db2.gz LHQBQPREUKDOIL-SZEHBUNVSA-N 0 3 283.332 -1.077 20 0 CAADHN O=C(c1cn[n-]n1)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046042587 775893499 /nfs/dbraw/zinc/89/34/99/775893499.db2.gz JKMLIPGBPZFOEQ-NSHDSACASA-N 0 3 294.359 -1.371 20 0 CAADHN O=C(c1cn[n-]n1)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046042587 775893506 /nfs/dbraw/zinc/89/35/06/775893506.db2.gz JKMLIPGBPZFOEQ-NSHDSACASA-N 0 3 294.359 -1.371 20 0 CAADHN CCC(=O)NC[C@H](O)CN[C@H]1CCC(=O)NC1=O ZINC001272341383 775895415 /nfs/dbraw/zinc/89/54/15/775895415.db2.gz BKFIQWSVAFCRBJ-SFYZADRCSA-N 0 3 257.290 -1.732 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077508418 775896039 /nfs/dbraw/zinc/89/60/39/775896039.db2.gz ZAZXEDNFWSXOAB-VXGBXAGGSA-N 0 3 296.371 -2.011 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC001077508429 775896224 /nfs/dbraw/zinc/89/62/24/775896224.db2.gz ZRONYKPHFMIRFR-GHMZBOCLSA-N 0 3 284.360 -2.011 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)C(C)(C)F ZINC001272351202 775897055 /nfs/dbraw/zinc/89/70/55/775897055.db2.gz GJUMCUSBKWFCBA-SFYZADRCSA-N 0 3 263.313 -1.064 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CC3CCC3)C[C@H]2O)NC1=O ZINC001077509944 775897387 /nfs/dbraw/zinc/89/73/87/775897387.db2.gz AXQVFASNPOHTPX-GRYCIOLGSA-N 0 3 296.371 -1.029 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)C(C)(C)F ZINC001272351201 775897464 /nfs/dbraw/zinc/89/74/64/775897464.db2.gz GJUMCUSBKWFCBA-JGVFFNPUSA-N 0 3 263.313 -1.064 20 0 CAADHN CNC(=O)NC(=O)CNC[C@H](O)CNC(=O)C=C(C)C ZINC001272351659 775897784 /nfs/dbraw/zinc/89/77/84/775897784.db2.gz NQOVAQIVHWGOTL-VIFPVBQESA-N 0 3 286.332 -1.525 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCC(=O)NC1=O)C(F)F ZINC001272351411 775897869 /nfs/dbraw/zinc/89/78/69/775897869.db2.gz JYAUZESPRZQCDN-WDSKDSINSA-N 0 3 279.243 -1.877 20 0 CAADHN CC(C)NC(=O)CNC[C@H](O)CNC(=O)C(F)F ZINC001272350922 775897991 /nfs/dbraw/zinc/89/79/91/775897991.db2.gz FETCVURGYGQUSP-ZETCQYMHSA-N 0 3 267.276 -1.157 20 0 CAADHN O=C(NC[C@H](O)CN[C@H]1CCC(=O)NC1=O)C(F)F ZINC001272351410 775898013 /nfs/dbraw/zinc/89/80/13/775898013.db2.gz JYAUZESPRZQCDN-RITPCOANSA-N 0 3 279.243 -1.877 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)[C@H]1COCCO1 ZINC001272370657 775899033 /nfs/dbraw/zinc/89/90/33/775899033.db2.gz FVCJVNNLHWVCCZ-DTWKUNHWSA-N 0 3 250.270 -1.562 20 0 CAADHN C/C(=C/C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O)C1CC1 ZINC001272371248 775899218 /nfs/dbraw/zinc/89/92/18/775899218.db2.gz KIMIXFNPRQFZNB-PENHIPQLSA-N 0 3 298.343 -1.396 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001077510422 775899284 /nfs/dbraw/zinc/89/92/84/775899284.db2.gz UPFVVGVDBDKFCA-GMTAPVOTSA-N 0 3 284.360 -1.173 20 0 CAADHN C/C(=C\C(=O)NC[C@H](O)CNCC(=O)NC(N)=O)C1CC1 ZINC001272371249 775899379 /nfs/dbraw/zinc/89/93/79/775899379.db2.gz KIMIXFNPRQFZNB-VMKBVTSJSA-N 0 3 298.343 -1.396 20 0 CAADHN CC(C)C(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001272363528 775899480 /nfs/dbraw/zinc/89/94/80/775899480.db2.gz XZPJHAYXCLJHDL-SNVBAGLBSA-N 0 3 257.334 -1.012 20 0 CAADHN CC(C)=CC(=O)NC[C@H](O)CNCCNS(C)(=O)=O ZINC001272362606 775899848 /nfs/dbraw/zinc/89/98/48/775899848.db2.gz PPCQQFVLQASXPY-SNVBAGLBSA-N 0 3 293.389 -1.432 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001272362444 775900188 /nfs/dbraw/zinc/90/01/88/775900188.db2.gz OAZPXMLOYNBTKC-POYBYMJQSA-N 0 3 260.294 -2.937 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)NC1=O ZINC001077510399 775900294 /nfs/dbraw/zinc/90/02/94/775900294.db2.gz SSFQRLRVMXZTSS-GRYCIOLGSA-N 0 3 296.371 -1.029 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccnc(F)c1 ZINC001272371479 775900899 /nfs/dbraw/zinc/90/08/99/775900899.db2.gz MBZBHSHOIOSKOB-SECBINFHSA-N 0 3 284.291 -1.353 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)CCn1cccn1 ZINC001272372991 775901052 /nfs/dbraw/zinc/90/10/52/775901052.db2.gz UVUISMJZKOLRKJ-SECBINFHSA-N 0 3 269.305 -2.175 20 0 CAADHN CCN1CC[C@@H](NC[C@@H](O)CNC(=O)CC(N)=O)C1=O ZINC001272378991 775901199 /nfs/dbraw/zinc/90/11/99/775901199.db2.gz HXVWJCRBVCLVAR-RKDXNWHRSA-N 0 3 286.332 -2.451 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCNC1=O)c1ccon1 ZINC001272373241 775901355 /nfs/dbraw/zinc/90/13/55/775901355.db2.gz VUGQRMKXWGONPC-HTQZYQBOSA-N 0 3 268.273 -1.757 20 0 CAADHN CSC[C@H](C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001272378942 775901379 /nfs/dbraw/zinc/90/13/79/775901379.db2.gz HDABERZJELMOJX-JGVFFNPUSA-N 0 3 263.363 -1.463 20 0 CAADHN O=C(NC[C@@H](O)CN[C@H]1CCNC1=O)c1ccon1 ZINC001272373244 775901446 /nfs/dbraw/zinc/90/14/46/775901446.db2.gz VUGQRMKXWGONPC-YUMQZZPRSA-N 0 3 268.273 -1.757 20 0 CAADHN CC[C@@H](NC[C@@H](O)CNC(=O)C(=O)C(C)(C)C)C(N)=O ZINC001272380123 775901460 /nfs/dbraw/zinc/90/14/60/775901460.db2.gz LZTVIRCAWWKTLB-RKDXNWHRSA-N 0 3 287.360 -1.068 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)CCn1cccn1 ZINC001272372996 775901485 /nfs/dbraw/zinc/90/14/85/775901485.db2.gz UVUISMJZKOLRKJ-VIFPVBQESA-N 0 3 269.305 -2.175 20 0 CAADHN CCN1CC[C@H](NC[C@@H](O)CNC(=O)CC(N)=O)C1=O ZINC001272378987 775901525 /nfs/dbraw/zinc/90/15/25/775901525.db2.gz HXVWJCRBVCLVAR-BDAKNGLRSA-N 0 3 286.332 -2.451 20 0 CAADHN COC(=O)NCC(=O)NC[C@@H](O)CNCCF ZINC001272372752 775901540 /nfs/dbraw/zinc/90/15/40/775901540.db2.gz RVDVUBJJYZSEOU-ZETCQYMHSA-N 0 3 251.258 -1.621 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)CC(N)=O)C(=O)N(C)C ZINC001272378709 775901557 /nfs/dbraw/zinc/90/15/57/775901557.db2.gz GNBSEURGVITCFZ-SFYZADRCSA-N 0 3 274.321 -2.595 20 0 CAADHN CCNC(=O)CNC[C@H](O)CNC(=O)c1cn[nH]c1 ZINC001272371601 775901588 /nfs/dbraw/zinc/90/15/88/775901588.db2.gz MLXOUFVQUCDPBE-VIFPVBQESA-N 0 3 269.305 -1.774 20 0 CAADHN CC[C@@H](NC[C@H](O)CNC(=O)C(=O)C(C)(C)C)C(N)=O ZINC001272380121 775901868 /nfs/dbraw/zinc/90/18/68/775901868.db2.gz LZTVIRCAWWKTLB-DTWKUNHWSA-N 0 3 287.360 -1.068 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001272389648 775902397 /nfs/dbraw/zinc/90/23/97/775902397.db2.gz QBRAEQLSHKSYQI-SVDPJWKOSA-N 0 3 269.345 -1.025 20 0 CAADHN CCOCCC(=O)NC[C@H](O)CN[C@@H]1CCCNC1=O ZINC001272378321 775902421 /nfs/dbraw/zinc/90/24/21/775902421.db2.gz BYHDCQIVMOJRDL-GHMZBOCLSA-N 0 3 287.360 -1.242 20 0 CAADHN NC(=O)CC(=O)NC[C@H](O)CNCC(=O)NC1CC1 ZINC001272389750 775903130 /nfs/dbraw/zinc/90/31/30/775903130.db2.gz SBXMDJRMXRBBLT-MRVPVSSYSA-N 0 3 272.305 -2.793 20 0 CAADHN C/C=C(/C)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001272388068 775903631 /nfs/dbraw/zinc/90/36/31/775903631.db2.gz ALENPOAUBFFHQQ-LSFDQVSLSA-N 0 3 272.305 -1.786 20 0 CAADHN C[C@H](NC[C@@H](O)CNC(=O)C1CC=CC1)C(=O)NC(N)=O ZINC001272389135 775903666 /nfs/dbraw/zinc/90/36/66/775903666.db2.gz KMRCHPFNKSJQHD-WCBMZHEXSA-N 0 3 298.343 -1.397 20 0 CAADHN C/C=C(/C)C(=O)NC[C@@H](O)CNCC(=O)NC(N)=O ZINC001272388070 775903739 /nfs/dbraw/zinc/90/37/39/775903739.db2.gz ALENPOAUBFFHQQ-PFPYCLJUSA-N 0 3 272.305 -1.786 20 0 CAADHN CCC(=O)NCC(=O)NC[C@H](O)CNCC(N)=O ZINC001272381370 775903798 /nfs/dbraw/zinc/90/37/98/775903798.db2.gz RLFAFFDOICXBPA-SSDOTTSWSA-N 0 3 260.294 -2.935 20 0 CAADHN C/C=C(\C)C(=O)NC[C@H](O)CNCC(=O)NC(N)=O ZINC001272388066 775904143 /nfs/dbraw/zinc/90/41/43/775904143.db2.gz ALENPOAUBFFHQQ-HOOMWESVSA-N 0 3 272.305 -1.786 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001077512549 775904863 /nfs/dbraw/zinc/90/48/63/775904863.db2.gz IAOOIZLYCDIYHZ-HBNTYKKESA-N 0 3 269.345 -1.060 20 0 CAADHN C[C@@H](C(=O)NC[C@@H](O)CNCCF)n1cncn1 ZINC001272396736 775905461 /nfs/dbraw/zinc/90/54/61/775905461.db2.gz COPZNDVLXJGYDU-IUCAKERBSA-N 0 3 259.285 -1.125 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1cncnc1 ZINC001272397687 775905816 /nfs/dbraw/zinc/90/58/16/775905816.db2.gz KQJOXSHFPCEUEK-QMMMGPOBSA-N 0 3 253.262 -2.358 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)C=C1CCC1)C(=O)NC(N)=O ZINC001272399201 775907103 /nfs/dbraw/zinc/90/71/03/775907103.db2.gz WOOFOPQXWQWUBK-SCZZXKLOSA-N 0 3 298.343 -1.253 20 0 CAADHN CCn1ncc(C(=O)NC[C@@H](O)CNCCF)n1 ZINC001272405710 775907323 /nfs/dbraw/zinc/90/73/23/775907323.db2.gz ABQSTFCTPNDBAU-QMMMGPOBSA-N 0 3 259.285 -1.052 20 0 CAADHN Cn1cnc(C(=O)NC[C@@H](O)CNCC(N)=O)n1 ZINC001272407040 775907372 /nfs/dbraw/zinc/90/73/72/775907372.db2.gz VGKMGNZMWSGWAQ-LURJTMIESA-N 0 3 256.266 -3.019 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@H](O)CNC/C=C/Cl ZINC001272398954 775907627 /nfs/dbraw/zinc/90/76/27/775907627.db2.gz USWJCUNVKJROCB-HZIBQTDNSA-N 0 3 278.740 -1.138 20 0 CAADHN C[C@@H](NC[C@H](O)CNC(=O)c1cn(C)cn1)C(N)=O ZINC001272399784 775908106 /nfs/dbraw/zinc/90/81/06/775908106.db2.gz ZXPPXXCPFSGBTC-SFYZADRCSA-N 0 3 269.305 -2.026 20 0 CAADHN O=C(NC[C@@H](O)CN[C@@H]1CCNC1=O)c1cc[nH]c1 ZINC001272424941 775908628 /nfs/dbraw/zinc/90/86/28/775908628.db2.gz DZOOGQJTEGBJKX-VHSXEESVSA-N 0 3 266.301 -1.417 20 0 CAADHN O=C(NC[C@H](O)CN[C@@H]1CCC(=O)NC1=O)c1cc[nH]c1 ZINC001272424971 775909305 /nfs/dbraw/zinc/90/93/05/775909305.db2.gz GBLVCBXTPRVKLW-NXEZZACHSA-N 0 3 294.311 -1.500 20 0 CAADHN CC[C@@H](C(=O)NCC[C@H](C)NC(=O)C(N)=O)N(C)C ZINC001077516626 775911029 /nfs/dbraw/zinc/91/10/29/775911029.db2.gz RWGMRHJTYWUQDK-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2[n-]nnc2C)[C@@H](O)C1 ZINC001083691866 775911543 /nfs/dbraw/zinc/91/15/43/775911543.db2.gz LHQBQPREUKDOIL-QNSHHTMESA-N 0 3 283.332 -1.077 20 0 CAADHN CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2[n-]nnc2C)[C@@H](O)C1 ZINC001083691866 775911551 /nfs/dbraw/zinc/91/15/51/775911551.db2.gz LHQBQPREUKDOIL-QNSHHTMESA-N 0 3 283.332 -1.077 20 0 CAADHN CO[C@@H](C)C[N@H+]1C[C@@H](NC(=O)c2[n-]nnc2C)[C@@H](O)C1 ZINC001083691867 775912048 /nfs/dbraw/zinc/91/20/48/775912048.db2.gz LHQBQPREUKDOIL-SFGNSQDASA-N 0 3 283.332 -1.077 20 0 CAADHN CO[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)c2[n-]nnc2C)[C@@H](O)C1 ZINC001083691867 775912059 /nfs/dbraw/zinc/91/20/59/775912059.db2.gz LHQBQPREUKDOIL-SFGNSQDASA-N 0 3 283.332 -1.077 20 0 CAADHN O=C(CN1CCNC(=O)C1)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001083697456 775914684 /nfs/dbraw/zinc/91/46/84/775914684.db2.gz ZAZXEDNFWSXOAB-NEPJUHHUSA-N 0 3 296.371 -2.011 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001083697379 775914794 /nfs/dbraw/zinc/91/47/94/775914794.db2.gz ULWZITKXYHXLBE-MNOVXSKESA-N 0 3 284.360 -2.012 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083696866 775915877 /nfs/dbraw/zinc/91/58/77/775915877.db2.gz VMBHTZUWUNBCJU-BBBLOLIVSA-N 0 3 270.333 -1.419 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)NC1=O ZINC001083700171 775917305 /nfs/dbraw/zinc/91/73/05/775917305.db2.gz CWVZQCPPWNRPNC-MXWKQRLJSA-N 0 3 282.344 -1.419 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2O)NC1=O ZINC001083700094 775918276 /nfs/dbraw/zinc/91/82/76/775918276.db2.gz AXQVFASNPOHTPX-WOPDTQHZSA-N 0 3 296.371 -1.029 20 0 CAADHN CN1C[C@@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)NC1=O ZINC001083700172 775918513 /nfs/dbraw/zinc/91/85/13/775918513.db2.gz CWVZQCPPWNRPNC-VWYCJHECSA-N 0 3 282.344 -1.419 20 0 CAADHN CN1C[C@H](C(=O)N[C@@H]2CN(CC3CCC3)C[C@@H]2O)NC1=O ZINC001083700093 775918803 /nfs/dbraw/zinc/91/88/03/775918803.db2.gz AXQVFASNPOHTPX-UTUOFQBUSA-N 0 3 296.371 -1.029 20 0 CAADHN CCCCN1C[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)[C@@H](O)C1 ZINC001083700595 775918900 /nfs/dbraw/zinc/91/89/00/775918900.db2.gz QSGMRHUVCYKKIW-MXWKQRLJSA-N 0 3 284.360 -1.029 20 0 CAADHN Cn1cnn(CCC(=O)NC[C@@H](O)CNCCF)c1=O ZINC001272488590 775921105 /nfs/dbraw/zinc/92/11/05/775921105.db2.gz PGRHLRRSXJLVCH-VIFPVBQESA-N 0 3 289.311 -1.992 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H](O)CNC/C=C\Cl)NC1=O ZINC001272495696 775921549 /nfs/dbraw/zinc/92/15/49/775921549.db2.gz HPOLAYLKTGKMLO-NFLJOPSSSA-N 0 3 290.751 -1.171 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CN(CCC3CC3)C[C@@H]2O)n1 ZINC001083706013 775922298 /nfs/dbraw/zinc/92/22/98/775922298.db2.gz HEVSHXQCRIIZAA-ZJUUUORDSA-N 0 3 280.332 -1.215 20 0 CAADHN CN1C[C@H](C(=O)NC[C@@H](O)CNC/C=C/Cl)NC1=O ZINC001272495693 775922342 /nfs/dbraw/zinc/92/23/42/775922342.db2.gz HPOLAYLKTGKMLO-AHQHDXANSA-N 0 3 290.751 -1.171 20 0 CAADHN CN1C[C@H](C(=O)NC[C@H](O)CNC/C=C/Cl)NC1=O ZINC001272495695 775922376 /nfs/dbraw/zinc/92/23/76/775922376.db2.gz HPOLAYLKTGKMLO-KHVQUVQLSA-N 0 3 290.751 -1.171 20 0 CAADHN Cn1nccc1CNC[C@H](O)CNC(=O)[C@H]1CCNC1=O ZINC001272496619 775923073 /nfs/dbraw/zinc/92/30/73/775923073.db2.gz QFHKPRZQGWJBDU-QWRGUYRKSA-N 0 3 295.343 -1.877 20 0 CAADHN O=C(NC[C@H](O)CNCCF)c1c[nH]c(=O)cn1 ZINC001272504781 775923626 /nfs/dbraw/zinc/92/36/26/775923626.db2.gz QBZRSCJGJLHPFH-SSDOTTSWSA-N 0 3 258.253 -1.580 20 0 CAADHN CC(C)(C(=O)NC[C@@H](O)CNCC(N)=O)C1CC1 ZINC001272505654 775923803 /nfs/dbraw/zinc/92/38/03/775923803.db2.gz YURBAZLZWUXHBN-VIFPVBQESA-N 0 3 257.334 -1.025 20 0 CAADHN CN(C(=O)CNC[C@@H](O)CNC(=O)C(N)=O)C1CC1 ZINC001272503596 775924656 /nfs/dbraw/zinc/92/46/56/775924656.db2.gz FSMLKPHFDIQFJN-MRVPVSSYSA-N 0 3 272.305 -2.841 20 0 CAADHN Cn1nnc2c1C[C@@H](C(=O)NC[C@H](O)CNCCF)CC2 ZINC001272503260 775924793 /nfs/dbraw/zinc/92/47/93/775924793.db2.gz BFMQKKOKBKRRNT-VHSXEESVSA-N 0 3 299.350 -1.044 20 0 CAADHN CN(C(=O)CNC[C@H](O)CNC(=O)C(N)=O)C1CC1 ZINC001272503599 775925137 /nfs/dbraw/zinc/92/51/37/775925137.db2.gz FSMLKPHFDIQFJN-QMMMGPOBSA-N 0 3 272.305 -2.841 20 0 CAADHN NC(=O)C(=O)NC[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001272512561 775926143 /nfs/dbraw/zinc/92/61/43/775926143.db2.gz LCFAFNGRHDYEPN-NKWVEPMBSA-N 0 3 258.278 -3.183 20 0 CAADHN NC(=O)C(=O)NC[C@@H](O)CNCc1ccns1 ZINC001272511880 775926315 /nfs/dbraw/zinc/92/63/15/775926315.db2.gz GSDCYKGCXOMFGR-LURJTMIESA-N 0 3 258.303 -1.805 20 0 CAADHN NC(=O)C1(C(=O)NC[C@@H](O)CNCC(=O)N2CCC2)CC1 ZINC001272511746 775926826 /nfs/dbraw/zinc/92/68/26/775926826.db2.gz GBJYJDKMWQBGES-VIFPVBQESA-N 0 3 298.343 -2.449 20 0 CAADHN Cc1c(C(=O)NC[C@H](O)CNCC(N)=O)ccn1C ZINC001272514130 775926878 /nfs/dbraw/zinc/92/68/78/775926878.db2.gz SWGSPOAJMXECET-SECBINFHSA-N 0 3 268.317 -1.501 20 0 CAADHN NC(=O)CNC[C@H](O)CNC(=O)c1n[nH]cc1F ZINC001272514750 775927939 /nfs/dbraw/zinc/92/79/39/775927939.db2.gz XJQUZCOOYDYBSQ-YFKPBYRVSA-N 0 3 259.241 -2.286 20 0 CAADHN Cc1c(C(=O)NC[C@@H](O)CNCC(N)=O)ccn1C ZINC001272514145 775927963 /nfs/dbraw/zinc/92/79/63/775927963.db2.gz SWGSPOAJMXECET-VIFPVBQESA-N 0 3 268.317 -1.501 20 0 CAADHN CC(C)N(C)C(=O)CNC[C@H](O)CNC(=O)C(N)=O ZINC001272514502 775928498 /nfs/dbraw/zinc/92/84/98/775928498.db2.gz VXWRSBLYPAEPCZ-QMMMGPOBSA-N 0 3 274.321 -2.595 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1ccncn1 ZINC001272545658 775931674 /nfs/dbraw/zinc/93/16/74/775931674.db2.gz ORASPEHBKPPAFS-SSDOTTSWSA-N 0 3 253.262 -2.358 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@H](O)CN[C@H]2CCNC2=O)CC1 ZINC001272547054 775931718 /nfs/dbraw/zinc/93/17/18/775931718.db2.gz XFECAZSFBVISFP-BDAKNGLRSA-N 0 3 298.343 -2.532 20 0 CAADHN O=C(NC[C@H](O)CNCCF)c1nc2ncccn2n1 ZINC001272545912 775931947 /nfs/dbraw/zinc/93/19/47/775931947.db2.gz PWAUGVXBLWYRJO-MRVPVSSYSA-N 0 3 282.279 -1.226 20 0 CAADHN O=C(NC[C@@H](O)CNCCF)c1nc2ncccn2n1 ZINC001272545913 775932327 /nfs/dbraw/zinc/93/23/27/775932327.db2.gz PWAUGVXBLWYRJO-QMMMGPOBSA-N 0 3 282.279 -1.226 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)Cc1ncc[nH]1 ZINC001272552038 775932498 /nfs/dbraw/zinc/93/24/98/775932498.db2.gz AJGAIULZCSXJBI-SSDOTTSWSA-N 0 3 255.278 -2.496 20 0 CAADHN NC(=O)CNC[C@@H](O)CNC(=O)c1nccs1 ZINC001272554701 775932697 /nfs/dbraw/zinc/93/26/97/775932697.db2.gz WBAMVCDUYONCCG-ZCFIWIBFSA-N 0 3 258.303 -1.691 20 0 CAADHN Cn1nnc(C(=O)N[C@@H]2CN(CCC3CC3)C[C@H]2O)n1 ZINC001077525131 775934429 /nfs/dbraw/zinc/93/44/29/775934429.db2.gz HEVSHXQCRIIZAA-NXEZZACHSA-N 0 3 280.332 -1.215 20 0 CAADHN CC(C)(C)C(=O)NC[C@@H](O)CN[C@@H]1CCNC1=O ZINC001272567619 775935184 /nfs/dbraw/zinc/93/51/84/775935184.db2.gz SCZQRYXFVKOBJA-DTWKUNHWSA-N 0 3 257.334 -1.012 20 0 CAADHN CC(C)(C)C(=O)NC[C@@H](O)CN[C@H]1CCNC1=O ZINC001272567621 775936066 /nfs/dbraw/zinc/93/60/66/775936066.db2.gz SCZQRYXFVKOBJA-IUCAKERBSA-N 0 3 257.334 -1.012 20 0 CAADHN CC(C)(C)C(=O)NC[C@H](O)CN[C@@H]1CCNC1=O ZINC001272567623 775936234 /nfs/dbraw/zinc/93/62/34/775936234.db2.gz SCZQRYXFVKOBJA-RKDXNWHRSA-N 0 3 257.334 -1.012 20 0 CAADHN CC(C)(C)C(=O)NC[C@H](O)CN[C@H]1CCNC1=O ZINC001272567618 775936594 /nfs/dbraw/zinc/93/65/94/775936594.db2.gz SCZQRYXFVKOBJA-BDAKNGLRSA-N 0 3 257.334 -1.012 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001077526369 775938901 /nfs/dbraw/zinc/93/89/01/775938901.db2.gz GUQQHYKJXNQAEU-RKDXNWHRSA-N 0 3 268.321 -1.359 20 0 CAADHN CNC(=O)CNC[C@@H](O)CNC(=O)c1ccn(C)n1 ZINC001272574862 775941030 /nfs/dbraw/zinc/94/10/30/775941030.db2.gz LGOXGUWTRTWKNG-MRVPVSSYSA-N 0 3 269.305 -2.154 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cnc(N(C)C)cn1 ZINC001127284956 775941898 /nfs/dbraw/zinc/94/18/98/775941898.db2.gz OBPVFTWLYNOQOL-VIFPVBQESA-N 0 3 294.359 -1.004 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cnc(N(C)C)cn1 ZINC001127284610 775941991 /nfs/dbraw/zinc/94/19/91/775941991.db2.gz LMTFOTHNKAJMSD-UHFFFAOYSA-N 0 3 294.359 -1.050 20 0 CAADHN C[C@H](O)CN1CC[C@](C)(NC(=O)c2nnn(C)n2)C1 ZINC001046547010 775943569 /nfs/dbraw/zinc/94/35/69/775943569.db2.gz IMBJNQPREZBZKX-KWQFWETISA-N 0 3 268.321 -1.215 20 0 CAADHN COCC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001122316959 775944188 /nfs/dbraw/zinc/94/41/88/775944188.db2.gz PCKAUIVIVQCWNL-UHFFFAOYSA-N 0 3 273.333 -1.366 20 0 CAADHN CCC(=O)NCCNCC(=O)N1CCN(C(C)=O)CC1 ZINC001122353200 775945649 /nfs/dbraw/zinc/94/56/49/775945649.db2.gz OVTLVFMMTJAKNE-UHFFFAOYSA-N 0 3 284.360 -1.207 20 0 CAADHN COCCN1CC[C@](C)(NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001046588812 775945818 /nfs/dbraw/zinc/94/58/18/775945818.db2.gz RIHXKAWPMRSGBL-SKDRFNHKSA-N 0 3 270.333 -1.105 20 0 CAADHN CC(=O)NCCN[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC001122359753 775946155 /nfs/dbraw/zinc/94/61/55/775946155.db2.gz XKBCSCLNPIVRMI-MWLCHTKSSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)NCCN[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001122359751 775946461 /nfs/dbraw/zinc/94/64/61/775946461.db2.gz XKBCSCLNPIVRMI-KOLCDFICSA-N 0 3 284.360 -1.176 20 0 CAADHN COCC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001122330873 775946507 /nfs/dbraw/zinc/94/65/07/775946507.db2.gz QOZZQJWYRFJHNU-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN NC(=O)Cn1cc(C(=O)NC[C@H](O)CNCCF)nn1 ZINC001272583294 775947251 /nfs/dbraw/zinc/94/72/51/775947251.db2.gz GSOKJXDZXLVWGE-SSDOTTSWSA-N 0 3 288.283 -2.587 20 0 CAADHN NC(=O)Cn1cc(C(=O)NC[C@@H](O)CNCCF)nn1 ZINC001272583295 775947794 /nfs/dbraw/zinc/94/77/94/775947794.db2.gz GSOKJXDZXLVWGE-ZETCQYMHSA-N 0 3 288.283 -2.587 20 0 CAADHN CC(=O)NCCN[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001122367040 775947914 /nfs/dbraw/zinc/94/79/14/775947914.db2.gz FBBJMHIBAUGKTC-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)C(F)F ZINC001122425411 775948387 /nfs/dbraw/zinc/94/83/87/775948387.db2.gz VNBABAYIZICTFI-UHFFFAOYSA-N 0 3 259.278 -1.494 20 0 CAADHN COCCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001122393484 775948406 /nfs/dbraw/zinc/94/84/06/775948406.db2.gz HWLVGLGKSQNSMC-UHFFFAOYSA-N 0 3 293.389 -1.236 20 0 CAADHN CC(=O)NCCN[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC001122367041 775948598 /nfs/dbraw/zinc/94/85/98/775948598.db2.gz FBBJMHIBAUGKTC-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)C(F)F ZINC001122423510 775948613 /nfs/dbraw/zinc/94/86/13/775948613.db2.gz FJPQDJMAFMXNSV-RXMQYKEDSA-N 0 3 266.248 -1.199 20 0 CAADHN C[C@H](NC[C@H](O)CNC(=O)Cc1ccc[nH]1)C(N)=O ZINC001272585565 775948818 /nfs/dbraw/zinc/94/88/18/775948818.db2.gz WQJRWWPIIIJZEG-WPRPVWTQSA-N 0 3 268.317 -1.502 20 0 CAADHN Cc1nn([C@@H]2CCOC2)cc1C(=O)NCCNCC(N)=O ZINC001127299038 775948894 /nfs/dbraw/zinc/94/88/94/775948894.db2.gz KLQWXDRHCNWEOD-SNVBAGLBSA-N 0 3 295.343 -1.042 20 0 CAADHN C[C@@]1(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN(CCCO)C1 ZINC001046617094 775949289 /nfs/dbraw/zinc/94/92/89/775949289.db2.gz NKZBXLRARSLSHO-MISXGVKJSA-N 0 3 299.371 -1.018 20 0 CAADHN NC(=O)[C@H]1CCCN(C(=O)CNCCNC(=O)C2CC2)C1 ZINC001122450307 775949395 /nfs/dbraw/zinc/94/93/95/775949395.db2.gz ZFGYAOGQAGOUCS-NSHDSACASA-N 0 3 296.371 -1.174 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C1CCOCC1 ZINC001122497916 775951069 /nfs/dbraw/zinc/95/10/69/775951069.db2.gz RHUIMOSUKIPONR-UHFFFAOYSA-N 0 3 286.332 -1.426 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1ccccn1 ZINC001122583194 775952914 /nfs/dbraw/zinc/95/29/14/775952914.db2.gz CZBJNTHFKFELQI-UHFFFAOYSA-N 0 3 286.357 -1.050 20 0 CAADHN CC(=O)NCC(=O)NCCNCc1cnn(C)c1 ZINC001122667776 775954718 /nfs/dbraw/zinc/95/47/18/775954718.db2.gz LDUDWNMMIWIONV-UHFFFAOYSA-N 0 3 253.306 -1.238 20 0 CAADHN C[C@@]1(NC(=O)C2CC(=O)NC(=O)C2)CCN(CCO)C1 ZINC001046695521 775957005 /nfs/dbraw/zinc/95/70/05/775957005.db2.gz NMXXLAFJBIYYGJ-CYBMUJFWSA-N 0 3 283.328 -1.388 20 0 CAADHN C[C@H]1C[C@H]1C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001122940767 775957316 /nfs/dbraw/zinc/95/73/16/775957316.db2.gz YCXORFQEAMMNLB-GXSJLCMTSA-N 0 3 294.355 -1.054 20 0 CAADHN C[C@@H]1C[C@@H]1C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001122940772 775957406 /nfs/dbraw/zinc/95/74/06/775957406.db2.gz YCXORFQEAMMNLB-KOLCDFICSA-N 0 3 294.355 -1.054 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)COCC ZINC001122966139 775957686 /nfs/dbraw/zinc/95/76/86/775957686.db2.gz PAWFVZNXCOZMAA-UHFFFAOYSA-N 0 3 274.321 -1.426 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1C[C@@H]1C ZINC001122965966 775957537 /nfs/dbraw/zinc/95/75/37/775957537.db2.gz MWAIMYSUVXYVQF-YUMQZZPRSA-N 0 3 256.306 -1.196 20 0 CAADHN CCOCC(=O)NCCNCCNS(C)(=O)=O ZINC001122977228 775958699 /nfs/dbraw/zinc/95/86/99/775958699.db2.gz AZFLBDSUPRMKMT-UHFFFAOYSA-N 0 3 267.351 -1.722 20 0 CAADHN CCOCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001122973880 775959358 /nfs/dbraw/zinc/95/93/58/775959358.db2.gz YIWQHQPEJUUNBS-MRVPVSSYSA-N 0 3 257.290 -1.466 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123072503 775960470 /nfs/dbraw/zinc/96/04/70/775960470.db2.gz RFFBCJGCQAXKBT-VXNVDRBHSA-N 0 3 284.316 -1.978 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCNCC(=O)N(C)C ZINC001123070915 775960617 /nfs/dbraw/zinc/96/06/17/775960617.db2.gz AAXAAICLBHUALO-QMMMGPOBSA-N 0 3 258.322 -1.695 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1=COCCO1 ZINC001123026732 775961004 /nfs/dbraw/zinc/96/10/04/775961004.db2.gz QVASDZJCBMTWJV-UHFFFAOYSA-N 0 3 272.261 -2.225 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001123070916 775961405 /nfs/dbraw/zinc/96/14/05/775961405.db2.gz ABCSHQRARKKMGJ-GXSJLCMTSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001123071946 775961611 /nfs/dbraw/zinc/96/16/11/775961611.db2.gz IUWFROMAARUKQQ-IONNQARKSA-N 0 3 256.306 -1.895 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@H]1CCNC1=O ZINC001123071945 775961843 /nfs/dbraw/zinc/96/18/43/775961843.db2.gz IUWFROMAARUKQQ-CBAPKCEASA-N 0 3 256.306 -1.895 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)CSC ZINC001123173838 775962635 /nfs/dbraw/zinc/96/26/35/775962635.db2.gz YZGHUSPQONBHTK-UHFFFAOYSA-N 0 3 283.419 -1.006 20 0 CAADHN CN(CCNCCNC(=O)CNC(N)=O)S(C)(=O)=O ZINC001123236016 775963437 /nfs/dbraw/zinc/96/34/37/775963437.db2.gz TZSHYYNQHGGACT-UHFFFAOYSA-N 0 3 295.365 -2.748 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCCO1 ZINC001123144455 775963653 /nfs/dbraw/zinc/96/36/53/775963653.db2.gz RZICLFFLTAVOJU-SECBINFHSA-N 0 3 286.332 -1.283 20 0 CAADHN CSCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001123166335 775963729 /nfs/dbraw/zinc/96/37/29/775963729.db2.gz NKWLIACIEQTCTE-UHFFFAOYSA-N 0 3 275.374 -1.086 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)CNC(N)=O ZINC001123241112 775963754 /nfs/dbraw/zinc/96/37/54/775963754.db2.gz ABTVJXWKUXKEJZ-UHFFFAOYSA-N 0 3 281.338 -3.090 20 0 CAADHN CSCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123173442 775963873 /nfs/dbraw/zinc/96/38/73/775963873.db2.gz TVVAUDAJSQCPAJ-SSDOTTSWSA-N 0 3 259.331 -1.140 20 0 CAADHN CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C ZINC001106778349 775964681 /nfs/dbraw/zinc/96/46/81/775964681.db2.gz HPXOYGVLPCINCQ-RKDXNWHRSA-N 0 3 280.332 -1.152 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1cnnn1)C(=O)NC(C)(C)C ZINC001123335428 775964942 /nfs/dbraw/zinc/96/49/42/775964942.db2.gz RBRQSHYFQITKSH-SECBINFHSA-N 0 3 297.363 -1.318 20 0 CAADHN CC(C)[C@@H](C)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123312985 775965193 /nfs/dbraw/zinc/96/51/93/775965193.db2.gz MJZRLKNXHBZLSV-SNVBAGLBSA-N 0 3 297.363 -1.460 20 0 CAADHN C[C@H]([NH2+]C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C)C(N)=O ZINC001106778269 775965433 /nfs/dbraw/zinc/96/54/33/775965433.db2.gz BMZPSKCRLKRIFQ-HRDYMLBCSA-N 0 3 280.332 -1.024 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCNC2=O)cn1 ZINC001123353853 775966386 /nfs/dbraw/zinc/96/63/86/775966386.db2.gz SGGDRXSYGVWKJI-SECBINFHSA-N 0 3 251.290 -1.372 20 0 CAADHN O=C(N[C@@H]1CN(CC2CCC2)C[C@@H]1O)[C@H]1CNC(=O)N1 ZINC001083741002 775966969 /nfs/dbraw/zinc/96/69/69/775966969.db2.gz VYBYKXKVTVNFAY-MXWKQRLJSA-N 0 3 282.344 -1.371 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740688 775967184 /nfs/dbraw/zinc/96/71/84/775967184.db2.gz LSQUKALPVQWXSZ-YIZRAAEISA-N 0 3 256.306 -1.761 20 0 CAADHN CC(C)CN1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](O)C1 ZINC001083740777 775967533 /nfs/dbraw/zinc/96/75/33/775967533.db2.gz OQFVIVHVKXCGSQ-AEJSXWLSSA-N 0 3 270.333 -1.515 20 0 CAADHN CCO[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1CC1 ZINC001127403079 775967826 /nfs/dbraw/zinc/96/78/26/775967826.db2.gz OLLTYHQVIOWNSI-SNVBAGLBSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H]1COC[C@@H]1NC(=O)C(=O)N1CCCNCC1 ZINC000699833623 775968071 /nfs/dbraw/zinc/96/80/71/775968071.db2.gz FTWXBTZAXZAMFH-UWVGGRQHSA-N 0 3 255.318 -1.041 20 0 CAADHN CC1CC(CN2C[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)C1 ZINC001083744628 775973934 /nfs/dbraw/zinc/97/39/34/775973934.db2.gz VQEVTLBLOQJYQC-BMNUFHGDSA-N 0 3 255.318 -1.321 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cn1cccn1 ZINC001123515802 775974664 /nfs/dbraw/zinc/97/46/64/775974664.db2.gz SXMZEDYKZIKWEB-UHFFFAOYSA-N 0 3 268.277 -2.216 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CCn1cncn1 ZINC001123659234 775977308 /nfs/dbraw/zinc/97/73/08/775977308.db2.gz GFASLGUUOPDSJE-UHFFFAOYSA-N 0 3 282.348 -1.101 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCn1cncn1 ZINC001123660213 775977657 /nfs/dbraw/zinc/97/76/57/775977657.db2.gz XFYVXMLQMFZNRK-UHFFFAOYSA-N 0 3 283.292 -2.431 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCOCC(F)F ZINC001127423272 775978297 /nfs/dbraw/zinc/97/82/97/775978297.db2.gz OCBDDSBZSQYOJU-UHFFFAOYSA-N 0 3 296.274 -1.441 20 0 CAADHN COC(=O)[C@@H]1CNCCN1CC1=CS[C@@H](N)N1 ZINC001236052910 775978476 /nfs/dbraw/zinc/97/84/76/775978476.db2.gz IXFUMESZEIVYMY-WPRPVWTQSA-N 0 3 258.347 -1.147 20 0 CAADHN COC(=O)[C@@H]1CNCCN1CCN1CCOCC1 ZINC001236052874 775978581 /nfs/dbraw/zinc/97/85/81/775978581.db2.gz HPXGLPWHLATEAB-NSHDSACASA-N 0 3 257.334 -1.235 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127432975 775979020 /nfs/dbraw/zinc/97/90/20/775979020.db2.gz AVDBSAPXMDTCCS-UHFFFAOYSA-N 0 3 283.336 -1.705 20 0 CAADHN Cn1cncc1CNCCNC(=O)Cn1ncnn1 ZINC001127433240 775979181 /nfs/dbraw/zinc/97/91/81/775979181.db2.gz JEGWEGPCQFCVQI-UHFFFAOYSA-N 0 3 264.293 -1.687 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433352 775979246 /nfs/dbraw/zinc/97/92/46/775979246.db2.gz MYCHZWGVBXZOEB-UHFFFAOYSA-N 0 3 269.309 -2.097 20 0 CAADHN O=C(Cn1ncnn1)NCCNCC(=O)N1CCCCC1 ZINC001127433098 775979581 /nfs/dbraw/zinc/97/95/81/775979581.db2.gz DUWLVAMYVFGJNC-UHFFFAOYSA-N 0 3 295.347 -1.609 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433504 775979774 /nfs/dbraw/zinc/97/97/74/775979774.db2.gz POROYWKHEJUKJF-SECBINFHSA-N 0 3 283.336 -1.706 20 0 CAADHN CCC(C)(C)NC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127433258 775979860 /nfs/dbraw/zinc/97/98/60/775979860.db2.gz JYRQLRDORHENCN-UHFFFAOYSA-N 0 3 297.363 -1.316 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127438131 775982903 /nfs/dbraw/zinc/98/29/03/775982903.db2.gz NOJZBNFBVZFBLL-ZETCQYMHSA-N 0 3 255.282 -2.487 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1ncnn1)C(N)=O ZINC001127442901 775983282 /nfs/dbraw/zinc/98/32/82/775983282.db2.gz MFXXLPTXTAQHSD-SSDOTTSWSA-N 0 3 255.282 -2.357 20 0 CAADHN C[C@H](NCCNC(=O)Cn1ncnn1)C(=O)NC(N)=O ZINC001127450029 775983914 /nfs/dbraw/zinc/98/39/14/775983914.db2.gz ZSQZMZCQQYTTSQ-LURJTMIESA-N 0 3 284.280 -3.038 20 0 CAADHN CC(C)OCCC(=O)NCCNCC(=O)NC(N)=O ZINC001123835293 775984108 /nfs/dbraw/zinc/98/41/08/775984108.db2.gz WWURKRQFSFOOIM-UHFFFAOYSA-N 0 3 274.321 -1.298 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449800 775984222 /nfs/dbraw/zinc/98/42/22/775984222.db2.gz UKXPNUWZZWZHAC-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)Cn2ncnn2)C1=O ZINC001127443190 775984290 /nfs/dbraw/zinc/98/42/90/775984290.db2.gz PRKYZNDVCAKPGN-MRVPVSSYSA-N 0 3 267.293 -2.390 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1ncnn1)C(=O)NC(N)=O ZINC001127450030 775984344 /nfs/dbraw/zinc/98/43/44/775984344.db2.gz ZSQZMZCQQYTTSQ-ZCFIWIBFSA-N 0 3 284.280 -3.038 20 0 CAADHN CCCC[C@@H](NCCNC(=O)Cn1ncnn1)C(N)=O ZINC001127443423 775984416 /nfs/dbraw/zinc/98/44/16/775984416.db2.gz VOFUGGLQXYYCAQ-SECBINFHSA-N 0 3 283.336 -1.577 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449694 775984691 /nfs/dbraw/zinc/98/46/91/775984691.db2.gz PRYVTNCCFZPNAA-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449571 775984729 /nfs/dbraw/zinc/98/47/29/775984729.db2.gz NIQWBTKLNVLAGX-ZETCQYMHSA-N 0 3 298.307 -2.777 20 0 CAADHN CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449495 775984760 /nfs/dbraw/zinc/98/47/60/775984760.db2.gz JYQJETORDCTABG-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cn1ncnn1 ZINC001127449570 775984770 /nfs/dbraw/zinc/98/47/70/775984770.db2.gz NIQWBTKLNVLAGX-SSDOTTSWSA-N 0 3 298.307 -2.777 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127443397 775984805 /nfs/dbraw/zinc/98/48/05/775984805.db2.gz ULPIJRPOHTYBNK-UHFFFAOYSA-N 0 3 283.336 -1.849 20 0 CAADHN CCC[C@@H](C)NC(=O)CNCCNC(=O)Cn1ncnn1 ZINC001127443153 775984838 /nfs/dbraw/zinc/98/48/38/775984838.db2.gz OGUPOMOVEYNBAP-SNVBAGLBSA-N 0 3 297.363 -1.316 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc(OC)ncn1 ZINC001127459054 775986098 /nfs/dbraw/zinc/98/60/98/775986098.db2.gz UYEZDOXGSLNSOD-UHFFFAOYSA-N 0 3 267.289 -1.449 20 0 CAADHN COc1cc(C(=O)NCCNCC(=O)NC(N)=O)ncn1 ZINC001127459238 775986474 /nfs/dbraw/zinc/98/64/74/775986474.db2.gz YRBUHGUPDRCEDY-UHFFFAOYSA-N 0 3 296.287 -2.001 20 0 CAADHN CC1(C)C[C@H](NC(=O)C(N)=O)CCN([C@@H]2CCNC2=O)C1 ZINC001089477692 775986644 /nfs/dbraw/zinc/98/66/44/775986644.db2.gz ZJGLMUHNTYSYOP-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)CNCCNC(=O)c1cn(C2CCC2)nn1 ZINC001127510540 775987968 /nfs/dbraw/zinc/98/79/68/775987968.db2.gz BDAMODHRZMGQON-UHFFFAOYSA-N 0 3 266.305 -1.192 20 0 CAADHN CCO[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001123963263 775989236 /nfs/dbraw/zinc/98/92/36/775989236.db2.gz RHDNELNSMRBJAD-ZETCQYMHSA-N 0 3 260.294 -1.688 20 0 CAADHN CC(C)COCCC(=O)NCCNCC(=O)NC(N)=O ZINC001123981706 775990427 /nfs/dbraw/zinc/99/04/27/775990427.db2.gz YMJXCNZYVDCDLT-UHFFFAOYSA-N 0 3 288.348 -1.050 20 0 CAADHN C[C@H]1CC(=O)N[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001127554071 775990443 /nfs/dbraw/zinc/99/04/43/775990443.db2.gz FCAYKEUPLZSUDP-GMTAPVOTSA-N 0 3 296.371 -1.115 20 0 CAADHN CCO[C@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001123963262 775990845 /nfs/dbraw/zinc/99/08/45/775990845.db2.gz RHDNELNSMRBJAD-SSDOTTSWSA-N 0 3 260.294 -1.688 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCCO1)C(=O)NC(N)=O ZINC001124017395 775990878 /nfs/dbraw/zinc/99/08/78/775990878.db2.gz BYZVPXKBGGEMBO-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN CCO[C@H](C)C(=O)NCCNCC(=O)NC(=O)NC ZINC001123963208 775990894 /nfs/dbraw/zinc/99/08/94/775990894.db2.gz PSXZDIFZTHDAGT-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN O=C(CNCCNC(=O)c1cn[nH]c1)NC(=O)NC1CC1 ZINC001124055959 775991884 /nfs/dbraw/zinc/99/18/84/775991884.db2.gz SWLFBMDUWAQNCQ-UHFFFAOYSA-N 0 3 294.315 -1.283 20 0 CAADHN CC[C@H](NCCNC(=O)CNC(=O)C1CC1)C(N)=O ZINC001124108076 775991966 /nfs/dbraw/zinc/99/19/66/775991966.db2.gz RSVJXAWFGDSGQZ-VIFPVBQESA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C(N)=O ZINC001127558889 775992356 /nfs/dbraw/zinc/99/23/56/775992356.db2.gz UXPAYGPNPRCUJS-HRDYMLBCSA-N 0 3 270.333 -1.519 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001127558810 775992488 /nfs/dbraw/zinc/99/24/88/775992488.db2.gz SEWNDVLZSGRCDF-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)CNC(=O)C1CC1 ZINC001124107781 775992527 /nfs/dbraw/zinc/99/25/27/775992527.db2.gz CXTCZMMMDSCRHP-UHFFFAOYSA-N 0 3 298.387 -1.009 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C(N)=O ZINC001127558894 775992964 /nfs/dbraw/zinc/99/29/64/775992964.db2.gz UXPAYGPNPRCUJS-IWSPIJDZSA-N 0 3 270.333 -1.519 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001127558230 775993334 /nfs/dbraw/zinc/99/33/34/775993334.db2.gz HNGOGVCJEAGUEF-OPRDCNLKSA-N 0 3 284.360 -1.259 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)c1ccnn1C ZINC001127576811 775993905 /nfs/dbraw/zinc/99/39/05/775993905.db2.gz XNWQTDNHUBKRRR-VIFPVBQESA-N 0 3 267.333 -1.025 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C(N)=O ZINC001127570964 775994222 /nfs/dbraw/zinc/99/42/22/775994222.db2.gz HZYMQRMHHUMIOB-KXUCPTDWSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C(N)=O ZINC001127570965 775994486 /nfs/dbraw/zinc/99/44/86/775994486.db2.gz HZYMQRMHHUMIOB-OPRDCNLKSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H](C(=O)NCCNCC(N)=O)c1ccnn1C ZINC001127582717 775995118 /nfs/dbraw/zinc/99/51/18/775995118.db2.gz JLJYOGJTCVFZLD-MRVPVSSYSA-N 0 3 253.306 -1.285 20 0 CAADHN Cc1cc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)n(C)n1 ZINC001124277076 775996149 /nfs/dbraw/zinc/99/61/49/775996149.db2.gz ABUNIEWLZIDQCJ-MRVPVSSYSA-N 0 3 296.331 -1.369 20 0 CAADHN Cc1cnn(CC(=O)NCCN[C@@H]2CCC(=O)NC2=O)c1 ZINC001124287853 775996214 /nfs/dbraw/zinc/99/62/14/775996214.db2.gz NFJNDPYXMPEPJM-SNVBAGLBSA-N 0 3 293.327 -1.297 20 0 CAADHN COc1cc(C(=O)NCCNCC(N)=O)sn1 ZINC001127612719 775996723 /nfs/dbraw/zinc/99/67/23/775996723.db2.gz AZUWDJNWXDREIG-UHFFFAOYSA-N 0 3 258.303 -1.044 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)n(C)n1 ZINC001124277081 775997146 /nfs/dbraw/zinc/99/71/46/775997146.db2.gz ABUNIEWLZIDQCJ-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[nH]n1 ZINC001124246696 775997276 /nfs/dbraw/zinc/99/72/76/775997276.db2.gz CPFVAKWUNBVNHA-ZETCQYMHSA-N 0 3 282.304 -1.379 20 0 CAADHN CO[C@H](C)C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001124273496 775997301 /nfs/dbraw/zinc/99/73/01/775997301.db2.gz PMQFPLDAMMRBQM-SECBINFHSA-N 0 3 281.378 -1.382 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)[C@@H](C)OC ZINC001124292508 775998560 /nfs/dbraw/zinc/99/85/60/775998560.db2.gz HVLUZHUDPPRSKP-SECBINFHSA-N 0 3 281.378 -1.334 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1cnc(C(N)=O)n1)C(N)=O ZINC001127653575 775999529 /nfs/dbraw/zinc/99/95/29/775999529.db2.gz YNFRZUWRCZNCTM-ZCFIWIBFSA-N 0 3 283.292 -3.043 20 0 CAADHN CC(C)CO[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001124331682 775999648 /nfs/dbraw/zinc/99/96/48/775999648.db2.gz XNPFOROHJXLDOF-VIFPVBQESA-N 0 3 288.348 -1.052 20 0 CAADHN C[C@H](NCCNC(=O)Cn1cnc(C(N)=O)n1)C(N)=O ZINC001127653574 775999703 /nfs/dbraw/zinc/99/97/03/775999703.db2.gz YNFRZUWRCZNCTM-LURJTMIESA-N 0 3 283.292 -3.043 20 0 CAADHN CS(=O)(=O)CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124362856 775999916 /nfs/dbraw/zinc/99/99/16/775999916.db2.gz RISNZYUBLLOCCK-ZETCQYMHSA-N 0 3 291.329 -2.458 20 0 CAADHN NC(=O)CN1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(N)=O ZINC001089853208 775999935 /nfs/dbraw/zinc/99/99/35/775999935.db2.gz RDFIXXMIMQLBDZ-QEYWKRMJSA-N 0 3 280.328 -1.874 20 0 CAADHN CC[C@H](F)CNCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653589 776000276 /nfs/dbraw/zinc/00/02/76/776000276.db2.gz ZCOWMFOXHUDNCA-QMMMGPOBSA-N 0 3 286.311 -1.169 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001127653561 776000376 /nfs/dbraw/zinc/00/03/76/776000376.db2.gz YANLMXNRITUIIX-UHFFFAOYSA-N 0 3 269.265 -3.432 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)CS(C)(=O)=O ZINC001124367629 776000551 /nfs/dbraw/zinc/00/05/51/776000551.db2.gz ZLLHCSJKJOTGCB-SECBINFHSA-N 0 3 293.389 -1.349 20 0 CAADHN CC(C)OCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124431884 776003579 /nfs/dbraw/zinc/00/35/79/776003579.db2.gz AADKQHACRAIMCW-VIFPVBQESA-N 0 3 271.317 -1.078 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1CCOC1 ZINC001124500704 776004104 /nfs/dbraw/zinc/00/41/04/776004104.db2.gz CXZXNTGSGZWLAS-RKDXNWHRSA-N 0 3 269.301 -1.466 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCOC1 ZINC001124501232 776004120 /nfs/dbraw/zinc/00/41/20/776004120.db2.gz IYWRTRWNYAGTPG-SECBINFHSA-N 0 3 286.332 -1.426 20 0 CAADHN Cn1nccc1C(=O)NCCNCC(=O)N1CCC1 ZINC001124540172 776004620 /nfs/dbraw/zinc/00/46/20/776004620.db2.gz UONLLTIHGCKGQF-UHFFFAOYSA-N 0 3 265.317 -1.028 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCOC1)NC(=O)NC1CC1 ZINC001124502004 776004853 /nfs/dbraw/zinc/00/48/53/776004853.db2.gz PNQFUMDAGFITFM-SECBINFHSA-N 0 3 298.343 -1.283 20 0 CAADHN Cc1ncc(C(=O)NCCNCC(=O)NC(N)=O)s1 ZINC001124514793 776005142 /nfs/dbraw/zinc/00/51/42/776005142.db2.gz QTPDXRJTCAAZBU-UHFFFAOYSA-N 0 3 285.329 -1.034 20 0 CAADHN CN(CCNCCNC(=O)[C@@H]1CCOC1)S(C)(=O)=O ZINC001124501730 776005187 /nfs/dbraw/zinc/00/51/87/776005187.db2.gz MUCWFWIHTUPNPS-SNVBAGLBSA-N 0 3 293.389 -1.380 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCOC1)NC(=O)NC1CC1 ZINC001124502005 776005202 /nfs/dbraw/zinc/00/52/02/776005202.db2.gz PNQFUMDAGFITFM-VIFPVBQESA-N 0 3 298.343 -1.283 20 0 CAADHN C[C@H]1CN(C(=O)CNCCNC(=O)[C@@H]2CCOC2)CCO1 ZINC001124507966 776005338 /nfs/dbraw/zinc/00/53/38/776005338.db2.gz ALODQCIWHUVZGK-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccnn1C ZINC001124544294 776005353 /nfs/dbraw/zinc/00/53/53/776005353.db2.gz CVIBBINAFNAFGG-UHFFFAOYSA-N 0 3 282.304 -1.805 20 0 CAADHN CC[C@H](OC)C(=O)NCCNCC(=O)NC(=O)NC ZINC001124565747 776005904 /nfs/dbraw/zinc/00/59/04/776005904.db2.gz BXMZVVVDYPQDCB-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@H](CC)OC ZINC001124568214 776006145 /nfs/dbraw/zinc/00/61/45/776006145.db2.gz SXNRAWLDYKEOOU-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)C[C@@H](C)OC ZINC001124595079 776006431 /nfs/dbraw/zinc/00/64/31/776006431.db2.gz UAYQAOSHVQYDEH-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CO[C@H](C)CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124595185 776006760 /nfs/dbraw/zinc/00/67/60/776006760.db2.gz VWMCSUJKOGBKHN-BDAKNGLRSA-N 0 3 271.317 -1.078 20 0 CAADHN C[C@H](NCCNC(=O)Cc1cnn(C)c1)C(N)=O ZINC001124621773 776007137 /nfs/dbraw/zinc/00/71/37/776007137.db2.gz QZVLJXKSSDIXIP-QMMMGPOBSA-N 0 3 253.306 -1.458 20 0 CAADHN CC[C@H](OC)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124550327 776007193 /nfs/dbraw/zinc/00/71/93/776007193.db2.gz GNAYYBADHRAMNA-BDAKNGLRSA-N 0 3 271.317 -1.078 20 0 CAADHN Cn1cc(CC(=O)NCCN[C@H]2CCNC2=O)cn1 ZINC001124622025 776007342 /nfs/dbraw/zinc/00/73/42/776007342.db2.gz RMGYTNLTUNWRKQ-JTQLQIEISA-N 0 3 265.317 -1.443 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C[C@H](C)OC ZINC001124608671 776007389 /nfs/dbraw/zinc/00/73/89/776007389.db2.gz ZQBSESXDYHXEDB-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN COC(=O)[C@H]1C[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001124662151 776008161 /nfs/dbraw/zinc/00/81/61/776008161.db2.gz JTKVMKBKQIJRPD-ZJUUUORDSA-N 0 3 283.328 -1.220 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)O1 ZINC001083775823 776008338 /nfs/dbraw/zinc/00/83/38/776008338.db2.gz KGBJAJXHGIPYIC-NOOOWODRSA-N 0 3 297.355 -1.409 20 0 CAADHN COC(=O)[C@H]1C[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001124662148 776008708 /nfs/dbraw/zinc/00/87/08/776008708.db2.gz JTKVMKBKQIJRPD-UWVGGRQHSA-N 0 3 283.328 -1.220 20 0 CAADHN CNC(=O)C[NH2+]CC[C@H](C)NC(=O)CCc1nnc[n-]1 ZINC001272710321 776008739 /nfs/dbraw/zinc/00/87/39/776008739.db2.gz BQMSRAWCLGWDRK-VIFPVBQESA-N 0 3 282.348 -1.032 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCOC1 ZINC001124686039 776009851 /nfs/dbraw/zinc/00/98/51/776009851.db2.gz JYZKWYRVEOFBKN-MRVPVSSYSA-N 0 3 272.305 -1.686 20 0 CAADHN COCCN1C[C@H](O)[C@@H](N(C)C(=O)c2[nH]nnc2C)C1 ZINC001047479865 776010089 /nfs/dbraw/zinc/01/00/89/776010089.db2.gz BOPVTJBBBRYEQJ-UWVGGRQHSA-N 0 3 283.332 -1.123 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCCOC1)N1CCOCC1 ZINC001124686010 776010131 /nfs/dbraw/zinc/01/01/31/776010131.db2.gz JOFHZMYQCOQQDG-GFCCVEGCSA-N 0 3 299.371 -1.022 20 0 CAADHN COC[C@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001124753399 776011009 /nfs/dbraw/zinc/01/10/09/776011009.db2.gz HGUYJZZTASUHKT-ZETCQYMHSA-N 0 3 260.294 -1.830 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C)COC ZINC001124760780 776011159 /nfs/dbraw/zinc/01/11/59/776011159.db2.gz PZVJYOYFHHBYGL-BDAKNGLRSA-N 0 3 288.348 -1.181 20 0 CAADHN COC[C@H](C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124753918 776011738 /nfs/dbraw/zinc/01/17/38/776011738.db2.gz MEVUGIFSVNWMRD-DTWKUNHWSA-N 0 3 271.317 -1.220 20 0 CAADHN COC[C@H](C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124753920 776011791 /nfs/dbraw/zinc/01/17/91/776011791.db2.gz MEVUGIFSVNWMRD-IUCAKERBSA-N 0 3 271.317 -1.220 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001124732190 776011870 /nfs/dbraw/zinc/01/18/70/776011870.db2.gz GHNAWBDGEWCEQI-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCCOC1)C(=O)NC(N)=O ZINC001124711572 776012079 /nfs/dbraw/zinc/01/20/79/776012079.db2.gz QZFRVYIWTHVXMB-RKDXNWHRSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C)COC ZINC001124760783 776012463 /nfs/dbraw/zinc/01/24/63/776012463.db2.gz PZVJYOYFHHBYGL-RKDXNWHRSA-N 0 3 288.348 -1.181 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001124815157 776013542 /nfs/dbraw/zinc/01/35/42/776013542.db2.gz ZVHXQTVSRQVIOT-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001124819233 776013588 /nfs/dbraw/zinc/01/35/88/776013588.db2.gz QHKRIDFILDNSCE-GHMZBOCLSA-N 0 3 296.371 -1.020 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@H]1CCC(=O)NC1 ZINC000691259635 776013605 /nfs/dbraw/zinc/01/36/05/776013605.db2.gz REQGCQBROSPUFZ-JTQLQIEISA-N 0 3 257.334 -1.105 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@H]2CCC(=O)N2)cn1 ZINC001124805196 776013887 /nfs/dbraw/zinc/01/38/87/776013887.db2.gz UZVROCZKUYVCRQ-SNVBAGLBSA-N 0 3 265.317 -1.096 20 0 CAADHN Cc1ncc(C(=O)NCCNCC(=O)NC(N)=O)[nH]1 ZINC001124824895 776014081 /nfs/dbraw/zinc/01/40/81/776014081.db2.gz JOOWMUBKAPYQIO-UHFFFAOYSA-N 0 3 268.277 -1.768 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCC(=O)N1)NCC1CCC1 ZINC001124805227 776014096 /nfs/dbraw/zinc/01/40/96/776014096.db2.gz VSJFQVSPBSEHML-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)[C@H]1CCC(=O)N1 ZINC001124814958 776014108 /nfs/dbraw/zinc/01/41/08/776014108.db2.gz TYEGYLUKKOQYLK-RKDXNWHRSA-N 0 3 268.317 -1.751 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)[nH]1 ZINC001124851105 776014225 /nfs/dbraw/zinc/01/42/25/776014225.db2.gz STZSPZSOMBWEEL-ZCFIWIBFSA-N 0 3 282.304 -1.379 20 0 CAADHN Cc1ncc(C(=O)NCCNCCNS(C)(=O)=O)[nH]1 ZINC001124843077 776014270 /nfs/dbraw/zinc/01/42/70/776014270.db2.gz MFZNIZCCJCCRJM-UHFFFAOYSA-N 0 3 289.361 -1.413 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083779508 776014599 /nfs/dbraw/zinc/01/45/99/776014599.db2.gz GAVBPTKEMMQPLL-UTUOFQBUSA-N 0 3 271.361 -1.376 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2CCC(=O)N2)C1=O ZINC001124815156 776014647 /nfs/dbraw/zinc/01/46/47/776014647.db2.gz ZVHXQTVSRQVIOT-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124805275 776014695 /nfs/dbraw/zinc/01/46/95/776014695.db2.gz WRVYDUOVGKLTHE-SNVBAGLBSA-N 0 3 284.360 -1.113 20 0 CAADHN CCC(=O)NCC(=O)NCCNCC(=O)NC(N)=O ZINC001124861918 776015367 /nfs/dbraw/zinc/01/53/67/776015367.db2.gz WQYIGVTVTIHGHA-UHFFFAOYSA-N 0 3 273.293 -2.587 20 0 CAADHN CCC(=O)NCC(=O)NCCNCCNS(C)(=O)=O ZINC001124861224 776015379 /nfs/dbraw/zinc/01/53/79/776015379.db2.gz GYWRDTYUFIZCPQ-UHFFFAOYSA-N 0 3 294.377 -2.232 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001124861264 776016276 /nfs/dbraw/zinc/01/62/76/776016276.db2.gz IKZWDOJGCHCPFK-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN NCCS(=O)(=O)N1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001238977202 776052749 /nfs/dbraw/zinc/05/27/49/776052749.db2.gz VSUVZYGJOOOWCE-SSDOTTSWSA-N 0 3 292.279 -1.100 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)COCCOC ZINC001124908707 776017612 /nfs/dbraw/zinc/01/76/12/776017612.db2.gz PZQVIWRGVUCTML-UHFFFAOYSA-N 0 3 275.349 -1.167 20 0 CAADHN COCCOCC(=O)NCCNCC(=O)N1CCC1 ZINC001124908888 776018085 /nfs/dbraw/zinc/01/80/85/776018085.db2.gz USEVKRAXOSXIMP-UHFFFAOYSA-N 0 3 273.333 -1.413 20 0 CAADHN COCCOCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124925208 776018565 /nfs/dbraw/zinc/01/85/65/776018565.db2.gz BOFORQAYRDKOEJ-SECBINFHSA-N 0 3 287.316 -1.840 20 0 CAADHN COCCOCC(=O)NCCNCC(=O)N(C)C ZINC001124920712 776018796 /nfs/dbraw/zinc/01/87/96/776018796.db2.gz JGSSHGWCEPLUFW-UHFFFAOYSA-N 0 3 261.322 -1.557 20 0 CAADHN COCCOCC(=O)NCCNCCNS(C)(=O)=O ZINC001124942043 776018872 /nfs/dbraw/zinc/01/88/72/776018872.db2.gz SCLMEHRLBGHDKE-UHFFFAOYSA-N 0 3 297.377 -2.096 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)COCCOC ZINC001124926547 776018900 /nfs/dbraw/zinc/01/89/00/776018900.db2.gz ZSOKJALILCCSPR-VIFPVBQESA-N 0 3 261.322 -1.510 20 0 CAADHN COCCOCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124941470 776018922 /nfs/dbraw/zinc/01/89/22/776018922.db2.gz KNWVOEQTEYTRTH-MRVPVSSYSA-N 0 3 290.320 -2.061 20 0 CAADHN COCCOCC(=O)NCCN[C@H](C)C(=O)N(C)C ZINC001124925791 776019381 /nfs/dbraw/zinc/01/93/81/776019381.db2.gz LEMBYUXDVYBZAT-SNVBAGLBSA-N 0 3 275.349 -1.168 20 0 CAADHN COCCOCC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001124942089 776019395 /nfs/dbraw/zinc/01/93/95/776019395.db2.gz TZJICWOVEJOLFC-SNVBAGLBSA-N 0 3 273.333 -1.414 20 0 CAADHN Cc1nn(C)cc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124980576 776019428 /nfs/dbraw/zinc/01/94/28/776019428.db2.gz LTEKQWYIJXXVQJ-SNVBAGLBSA-N 0 3 293.327 -1.147 20 0 CAADHN COCCOCC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001124920620 776019461 /nfs/dbraw/zinc/01/94/61/776019461.db2.gz HXWYKIBUSQTWQV-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN COCCOCC(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001124920619 776019533 /nfs/dbraw/zinc/01/95/33/776019533.db2.gz HXWYKIBUSQTWQV-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CC[C@@H](NCCNC(=O)COCCOC)C(N)=O ZINC001124941050 776019878 /nfs/dbraw/zinc/01/98/78/776019878.db2.gz BJKRNEQRFVKKHE-SECBINFHSA-N 0 3 261.322 -1.381 20 0 CAADHN COCCOCC(=O)NCCN[C@H]1CCNC1=O ZINC001124920385 776019939 /nfs/dbraw/zinc/01/99/39/776019939.db2.gz FEMOKTJXKKMCFX-VIFPVBQESA-N 0 3 259.306 -1.756 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)CC(N)=O ZINC001125080744 776020693 /nfs/dbraw/zinc/02/06/93/776020693.db2.gz WYKMJLDUNABIQR-UHFFFAOYSA-N 0 3 274.321 -2.280 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccc(F)nc1 ZINC001124936825 776020075 /nfs/dbraw/zinc/02/00/75/776020075.db2.gz LPIIRCANYZTMMU-UHFFFAOYSA-N 0 3 297.290 -1.004 20 0 CAADHN COCCOCC(=O)NCCNCC(=O)NC(N)=O ZINC001124921557 776020136 /nfs/dbraw/zinc/02/01/36/776020136.db2.gz VGXXWHGNOPYOGX-UHFFFAOYSA-N 0 3 276.293 -2.450 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001125080288 776020639 /nfs/dbraw/zinc/02/06/39/776020639.db2.gz OVUDKIIRNVEQSK-SECBINFHSA-N 0 3 286.332 -2.137 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1nccnc1N ZINC001125029088 776020651 /nfs/dbraw/zinc/02/06/51/776020651.db2.gz ISNRSIDJPKNVIP-UHFFFAOYSA-N 0 3 281.276 -2.427 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)N1CCCCCC1 ZINC001125080282 776020815 /nfs/dbraw/zinc/02/08/15/776020815.db2.gz OMFYGFLVJVAXGI-UHFFFAOYSA-N 0 3 284.360 -1.030 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(CCCO)C[C@@H]2O)C1 ZINC001083781623 776021083 /nfs/dbraw/zinc/02/10/83/776021083.db2.gz PCNOPGYAFZURTQ-UPJWGTAASA-N 0 3 285.388 -1.128 20 0 CAADHN CCCCOCC(=O)NCCNCC(=O)NC(=O)NC ZINC001125079050 776021190 /nfs/dbraw/zinc/02/11/90/776021190.db2.gz ZEMRFJNZCOYFMC-UHFFFAOYSA-N 0 3 288.348 -1.036 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)CC(N)=O ZINC001125080344 776021208 /nfs/dbraw/zinc/02/12/08/776021208.db2.gz QRHOJWSQZNQAET-UHFFFAOYSA-N 0 3 270.333 -1.564 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CC(N)=O ZINC001125080320 776021337 /nfs/dbraw/zinc/02/13/37/776021337.db2.gz QGCRSLPFOFYPOU-UHFFFAOYSA-N 0 3 259.266 -2.977 20 0 CAADHN Nc1nccnc1C(=O)NCCN[C@H]1CCNC1=O ZINC001125029073 776021549 /nfs/dbraw/zinc/02/15/49/776021549.db2.gz IGWLFVZLRRMYLV-ZETCQYMHSA-N 0 3 264.289 -1.733 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)CC(N)=O ZINC001125080690 776021632 /nfs/dbraw/zinc/02/16/32/776021632.db2.gz UFBGGFJQSZKRJF-UHFFFAOYSA-N 0 3 258.322 -1.516 20 0 CAADHN CN(C(=O)CNCCNC(=O)CC(N)=O)C1CC1 ZINC001125080322 776021661 /nfs/dbraw/zinc/02/16/61/776021661.db2.gz QKOODEPPHNPMLP-UHFFFAOYSA-N 0 3 256.306 -1.812 20 0 CAADHN Cc1[nH]nc(C(=O)NCCNCC(=O)NC(N)=O)c1C ZINC001125039678 776021729 /nfs/dbraw/zinc/02/17/29/776021729.db2.gz ONZYQTATVXQDAG-UHFFFAOYSA-N 0 3 282.304 -1.459 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)NCc1cccnc1 ZINC001125080658 776022038 /nfs/dbraw/zinc/02/20/38/776022038.db2.gz SOIHYDOVDBPPII-UHFFFAOYSA-N 0 3 293.327 -1.721 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@H](C)C(=O)NC(N)=O)no1 ZINC001125005788 776022296 /nfs/dbraw/zinc/02/22/96/776022296.db2.gz MKTPPAHGJVBGRG-MRVPVSSYSA-N 0 3 297.315 -1.185 20 0 CAADHN C[C@@H]1CN(C(=O)CNCCNC(=O)CC(N)=O)CCO1 ZINC001125084919 776023092 /nfs/dbraw/zinc/02/30/92/776023092.db2.gz OASXCASHMLQFQP-SECBINFHSA-N 0 3 286.332 -2.185 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)CC(N)=O)C1=O ZINC001125084856 776023424 /nfs/dbraw/zinc/02/34/24/776023424.db2.gz LJAOMWBAYWCEPO-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CC(C)(C)CNC(=O)CNCCNC(=O)CC(N)=O ZINC001125085069 776023521 /nfs/dbraw/zinc/02/35/21/776023521.db2.gz QIUVDHRRSRKHNU-UHFFFAOYSA-N 0 3 272.349 -1.270 20 0 CAADHN NC(=O)CC(=O)NCCNCC(=O)N1CCCC1 ZINC001125079684 776023621 /nfs/dbraw/zinc/02/36/21/776023621.db2.gz FULSZDNUHQNLTI-UHFFFAOYSA-N 0 3 256.306 -1.810 20 0 CAADHN C[C@H]1CCCN(C(=O)CNCCNC(=O)CC(N)=O)C1 ZINC001125079654 776023728 /nfs/dbraw/zinc/02/37/28/776023728.db2.gz DUXVAYLCGGONMA-JTQLQIEISA-N 0 3 284.360 -1.174 20 0 CAADHN NC(=O)CC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001125084674 776024058 /nfs/dbraw/zinc/02/40/58/776024058.db2.gz CWPHJQOPEFOBME-SNVBAGLBSA-N 0 3 282.344 -1.279 20 0 CAADHN CCN(CC)C(=O)[C@H](C)NCCNC(=O)CC(N)=O ZINC001125095658 776024892 /nfs/dbraw/zinc/02/48/92/776024892.db2.gz WLNMJZOQORNJME-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN Cn1c(CNCCNC(=O)CC(N)=O)cc(=O)n(C)c1=O ZINC001125095708 776024899 /nfs/dbraw/zinc/02/48/99/776024899.db2.gz YEVCTVRLRKHXIB-UHFFFAOYSA-N 0 3 297.315 -2.835 20 0 CAADHN C[C@@H](NCCNC(=O)CC(N)=O)C(=O)NCC(F)(F)F ZINC001125090774 776024909 /nfs/dbraw/zinc/02/49/09/776024909.db2.gz RPNPPMGNIABYOF-ZCFIWIBFSA-N 0 3 298.265 -1.365 20 0 CAADHN C[C@H](NCCNC(=O)CC(N)=O)C(=O)NC(=O)NC1CC1 ZINC001125095598 776024967 /nfs/dbraw/zinc/02/49/67/776024967.db2.gz TZCFPRXYADWPDM-ZETCQYMHSA-N 0 3 299.331 -2.056 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)CC(N)=O)C1=O ZINC001125090661 776025015 /nfs/dbraw/zinc/02/50/15/776025015.db2.gz OSWRQNHNYOWNFX-VIFPVBQESA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](NCCNC(=O)CC(N)=O)C(=O)NC(=O)NC1CC1 ZINC001125095597 776025412 /nfs/dbraw/zinc/02/54/12/776025412.db2.gz TZCFPRXYADWPDM-SSDOTTSWSA-N 0 3 299.331 -2.056 20 0 CAADHN CCCC[C@H](NCCNC(=O)CC(N)=O)C(N)=O ZINC001125090794 776025527 /nfs/dbraw/zinc/02/55/27/776025527.db2.gz SNQHUBVEPPVKPJ-QMMMGPOBSA-N 0 3 258.322 -1.388 20 0 CAADHN CN(Cc1ccco1)C(=O)CNCCNC(=O)CC(N)=O ZINC001125090439 776026193 /nfs/dbraw/zinc/02/61/93/776026193.db2.gz JZALDTTYFASVNC-UHFFFAOYSA-N 0 3 296.327 -1.181 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1cc[nH]n1 ZINC001125140923 776026744 /nfs/dbraw/zinc/02/67/44/776026744.db2.gz BASGBPSSEVSJEN-UHFFFAOYSA-N 0 3 282.304 -1.886 20 0 CAADHN O=C(C[C@H]1CCOC1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001125123118 776026845 /nfs/dbraw/zinc/02/68/45/776026845.db2.gz KVBKIQCHRIZKEN-NXEZZACHSA-N 0 3 283.328 -1.076 20 0 CAADHN O=C(C[C@H]1CCOC1)NCCN[C@H]1CCC(=O)NC1=O ZINC001125123121 776027025 /nfs/dbraw/zinc/02/70/25/776027025.db2.gz KVBKIQCHRIZKEN-ZJUUUORDSA-N 0 3 283.328 -1.076 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1CC=CC1 ZINC001125136160 776027424 /nfs/dbraw/zinc/02/74/24/776027424.db2.gz USSCLTACQUWPJM-UHFFFAOYSA-N 0 3 254.290 -1.147 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCOC1 ZINC001125118028 776027455 /nfs/dbraw/zinc/02/74/55/776027455.db2.gz AOSOGRJZWKTAGZ-MRVPVSSYSA-N 0 3 272.305 -1.686 20 0 CAADHN CN1CCO[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001125221248 776029038 /nfs/dbraw/zinc/02/90/38/776029038.db2.gz OPQHTTANRCIRIY-ZJUUUORDSA-N 0 3 270.333 -2.089 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001125221166 776029389 /nfs/dbraw/zinc/02/93/89/776029389.db2.gz NSRQEPFLHRBUBW-MRVPVSSYSA-N 0 3 287.320 -2.782 20 0 CAADHN Cc1nc(CNCCNC(=O)[C@H]2CN(C)CCO2)n[nH]1 ZINC001125221132 776029528 /nfs/dbraw/zinc/02/95/28/776029528.db2.gz NIDUSBBXTCTMJO-SNVBAGLBSA-N 0 3 282.348 -1.350 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001125221744 776029809 /nfs/dbraw/zinc/02/98/09/776029809.db2.gz TVSZOJQJJPTSRM-LLVKDONJSA-N 0 3 284.360 -1.699 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125222787 776029836 /nfs/dbraw/zinc/02/98/36/776029836.db2.gz XLQFNWPSPFPUPO-JTQLQIEISA-N 0 3 272.349 -1.841 20 0 CAADHN CN1CCO[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001125222410 776030398 /nfs/dbraw/zinc/03/03/98/776030398.db2.gz VUASVTAQVYKALX-MNOVXSKESA-N 0 3 284.360 -1.699 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125221453 776030438 /nfs/dbraw/zinc/03/04/38/776030438.db2.gz QICGNWXOJYHKME-ZJUUUORDSA-N 0 3 272.349 -1.843 20 0 CAADHN CN1CCO[C@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001125222411 776030689 /nfs/dbraw/zinc/03/06/89/776030689.db2.gz VUASVTAQVYKALX-QWRGUYRKSA-N 0 3 284.360 -1.699 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2CN(C)CCO2)C1=O ZINC001125220173 776030796 /nfs/dbraw/zinc/03/07/96/776030796.db2.gz DMMMNZQFMPQKFR-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CN1CCO[C@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001125223327 776030841 /nfs/dbraw/zinc/03/08/41/776030841.db2.gz ZXGCTJXOKXYTIY-ZJUUUORDSA-N 0 3 298.343 -2.172 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CN(C)CCO2)C1=O ZINC001125227502 776030891 /nfs/dbraw/zinc/03/08/91/776030891.db2.gz SRXOCPQIVDQIOV-GHMZBOCLSA-N 0 3 284.360 -1.747 20 0 CAADHN CCN1C[C@H](O)[C@@H](N(C)C(=O)Cn2cncn2)C1 ZINC001047620978 776036811 /nfs/dbraw/zinc/03/68/11/776036811.db2.gz YSQOIRRXTZTPRY-UWVGGRQHSA-N 0 3 253.306 -1.199 20 0 CAADHN C[C@H](NCCNC(=O)[C@]12C[C@H]1COC2)C(=O)NC(N)=O ZINC001127754129 776037789 /nfs/dbraw/zinc/03/77/89/776037789.db2.gz WUEQJNNSQRLCSI-UBJUHAIHSA-N 0 3 284.316 -1.688 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127753504 776037938 /nfs/dbraw/zinc/03/79/38/776037938.db2.gz KMRHGUQRTCOZFU-ZDMBXUJBSA-N 0 3 298.343 -1.427 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127747794 776038307 /nfs/dbraw/zinc/03/83/07/776038307.db2.gz HDZPVJKUISKGLK-ONGXEEELSA-N 0 3 291.373 -1.722 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@]12C[C@H]1COC2 ZINC001127742884 776038442 /nfs/dbraw/zinc/03/84/42/776038442.db2.gz FZQHJUGXYGXFGE-RVBZMBCESA-N 0 3 281.312 -1.466 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001077586336 776038471 /nfs/dbraw/zinc/03/84/71/776038471.db2.gz RUJPOEANSRNPAH-NXEZZACHSA-N 0 3 266.301 -1.045 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@]12C[C@H]1COC2 ZINC001127743137 776039215 /nfs/dbraw/zinc/03/92/15/776039215.db2.gz IULKTXXTXUJJOJ-CABZTGNLSA-N 0 3 255.318 -1.183 20 0 CAADHN CN1CCC[C@H]1c1cc(C(=O)NCCNCC(N)=O)[nH]n1 ZINC001127772175 776040861 /nfs/dbraw/zinc/04/08/61/776040861.db2.gz DXUPYLRJCFCFDW-NSHDSACASA-N 0 3 294.359 -1.019 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@H]1O)[C@H]1CNC(=O)N1 ZINC001077598901 776041532 /nfs/dbraw/zinc/04/15/32/776041532.db2.gz HMCFAHCCLNOXLB-OPRDCNLKSA-N 0 3 268.317 -1.761 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](O)C1 ZINC001083783815 776041840 /nfs/dbraw/zinc/04/18/40/776041840.db2.gz MXWNBVBNNFPSKQ-RGOKHQFPSA-N 0 3 255.318 -1.321 20 0 CAADHN CC(C)(C)n1nnc(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001127765985 776041885 /nfs/dbraw/zinc/04/18/85/776041885.db2.gz RVVGYPISTCIXEK-MRVPVSSYSA-N 0 3 295.347 -1.364 20 0 CAADHN CN(CCO)CCN(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC000691297861 776041935 /nfs/dbraw/zinc/04/19/35/776041935.db2.gz KLBXMKGQYMSPJH-UHFFFAOYSA-N 0 3 284.316 -1.669 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CNC(=O)N2)C1 ZINC001077600275 776043164 /nfs/dbraw/zinc/04/31/64/776043164.db2.gz FNUPTTLFJGDCCL-IWSPIJDZSA-N 0 3 256.306 -1.763 20 0 CAADHN O=C(N[C@@H]1CN(CC2CCC2)C[C@H]1O)[C@@H]1CNC(=O)N1 ZINC001077599368 776043395 /nfs/dbraw/zinc/04/33/95/776043395.db2.gz VYBYKXKVTVNFAY-HBNTYKKESA-N 0 3 282.344 -1.371 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001077600516 776043477 /nfs/dbraw/zinc/04/34/77/776043477.db2.gz OQFVIVHVKXCGSQ-IVZWLZJFSA-N 0 3 270.333 -1.515 20 0 CAADHN NC(=O)CNCCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001127785578 776046342 /nfs/dbraw/zinc/04/63/42/776046342.db2.gz NNVMSMWKYPCLSV-UHFFFAOYSA-N 0 3 279.344 -1.047 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(C[C@@H]2CCCOC2)C[C@H]1O ZINC001077605134 776046884 /nfs/dbraw/zinc/04/68/84/776046884.db2.gz YSZFRERDIGIDID-IVZWLZJFSA-N 0 3 271.317 -1.940 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001077607125 776049020 /nfs/dbraw/zinc/04/90/20/776049020.db2.gz SUHSADQDVGEQII-IWSPIJDZSA-N 0 3 257.290 -2.331 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001077607124 776049096 /nfs/dbraw/zinc/04/90/96/776049096.db2.gz SUHSADQDVGEQII-DJLDLDEBSA-N 0 3 257.290 -2.331 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CCO)CC2(CCOCC2)C1 ZINC001099572616 776053995 /nfs/dbraw/zinc/05/39/95/776053995.db2.gz ZTPMTMVQGJCAMQ-NSHDSACASA-N 0 3 299.371 -1.159 20 0 CAADHN C[C@H]1CCN(CC(=O)N[C@@H]2CN(CCCO)C[C@H]2O)C1 ZINC001077679342 776057669 /nfs/dbraw/zinc/05/76/69/776057669.db2.gz PCNOPGYAFZURTQ-YNEHKIRRSA-N 0 3 285.388 -1.128 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)O1 ZINC001077668662 776058628 /nfs/dbraw/zinc/05/86/28/776058628.db2.gz KGBJAJXHGIPYIC-WISYIIOYSA-N 0 3 297.355 -1.409 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@@H]2CN(CCCO)C[C@H]2O)C1 ZINC001077679341 776059254 /nfs/dbraw/zinc/05/92/54/776059254.db2.gz PCNOPGYAFZURTQ-JHJVBQTASA-N 0 3 285.388 -1.128 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NCCN[C@H](C)C(N)=O ZINC001127858522 776062031 /nfs/dbraw/zinc/06/20/31/776062031.db2.gz FWNNRFOWRSZRNO-SFYZADRCSA-N 0 3 294.377 -2.106 20 0 CAADHN CCS(=O)(=O)N[C@H](C)C(=O)NCCN[C@H](C)C(N)=O ZINC001127858517 776062653 /nfs/dbraw/zinc/06/26/53/776062653.db2.gz FWNNRFOWRSZRNO-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NCCNCCF ZINC001127858372 776062771 /nfs/dbraw/zinc/06/27/71/776062771.db2.gz CVZQSPJDCQQJHZ-QMMMGPOBSA-N 0 3 269.342 -1.011 20 0 CAADHN CCS(=O)(=O)N[C@@H](C)C(=O)NCCNCC(=O)NC ZINC001127860459 776062831 /nfs/dbraw/zinc/06/28/31/776062831.db2.gz NTYFAONVOCKVPL-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN CCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001077754461 776066067 /nfs/dbraw/zinc/06/60/67/776066067.db2.gz BJYJSRRJTZPHIL-IVZWLZJFSA-N 0 3 298.343 -1.454 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)c1ccncc1 ZINC001127896704 776066651 /nfs/dbraw/zinc/06/66/51/776066651.db2.gz FFPIYVCCVIFHIW-UHFFFAOYSA-N 0 3 293.327 -1.737 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001077745684 776066756 /nfs/dbraw/zinc/06/67/56/776066756.db2.gz WZPQVUQQEOZESU-OUAUKWLOSA-N 0 3 295.343 -1.623 20 0 CAADHN CN(CCO)CCN(C)C(=O)CN1C(=O)CN(C)C1=O ZINC000691325255 776070432 /nfs/dbraw/zinc/07/04/32/776070432.db2.gz KMNOVWKORQMTSY-UHFFFAOYSA-N 0 3 286.332 -1.737 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001127945843 776072026 /nfs/dbraw/zinc/07/20/26/776072026.db2.gz CLXHPCDYYIAXIQ-DTWKUNHWSA-N 0 3 298.343 -1.588 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCNCC(=O)N(C)C ZINC001127946649 776073191 /nfs/dbraw/zinc/07/31/91/776073191.db2.gz MVYHKWKMRQUGQC-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@@H](C)C(N)=O ZINC001127946209 776073624 /nfs/dbraw/zinc/07/36/24/776073624.db2.gz HYSKZQXIRYDACS-JGVFFNPUSA-N 0 3 258.322 -1.519 20 0 CAADHN CC[C@@H](NCCNC(=O)CNC(=O)c1ccoc1)C(N)=O ZINC001127956930 776073793 /nfs/dbraw/zinc/07/37/93/776073793.db2.gz QCBSYCJPKIKASE-SNVBAGLBSA-N 0 3 296.327 -1.021 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001127947485 776073830 /nfs/dbraw/zinc/07/38/30/776073830.db2.gz XBIWKDMHRMGFBS-ZETCQYMHSA-N 0 3 287.320 -2.198 20 0 CAADHN CCC(=O)N[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC ZINC001127947698 776073842 /nfs/dbraw/zinc/07/38/42/776073842.db2.gz ZEZWDBDCHJMXOO-BDAKNGLRSA-N 0 3 272.349 -1.259 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)NCCNCc1cnn(C)c1 ZINC001127968265 776073871 /nfs/dbraw/zinc/07/38/71/776073871.db2.gz XSMQENAJUDZMTO-SNVBAGLBSA-N 0 3 297.359 -1.223 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001127946628 776073981 /nfs/dbraw/zinc/07/39/81/776073981.db2.gz MMTVTJFYNJAPMY-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN Cc1occc1C(=O)NCC(=O)NCCN[C@@H](C)C(N)=O ZINC001127962429 776073915 /nfs/dbraw/zinc/07/39/15/776073915.db2.gz QZNDXQGRDJDTSO-QMMMGPOBSA-N 0 3 296.327 -1.103 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCNCC(=O)NC ZINC001127945923 776073948 /nfs/dbraw/zinc/07/39/48/776073948.db2.gz CWRBXNPVQMRSSK-MRVPVSSYSA-N 0 3 258.322 -1.647 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001127951975 776073990 /nfs/dbraw/zinc/07/39/90/776073990.db2.gz OJRMXHFAVIGECU-ZJUUUORDSA-N 0 3 284.360 -1.162 20 0 CAADHN Cc1occc1C(=O)NCC(=O)NCCNCC(N)=O ZINC001127956732 776074011 /nfs/dbraw/zinc/07/40/11/776074011.db2.gz GXNQZIWITFDIAU-UHFFFAOYSA-N 0 3 282.300 -1.491 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNC(=O)c1ccoc1 ZINC001127951540 776074090 /nfs/dbraw/zinc/07/40/90/776074090.db2.gz BBFOCHNOOBZPBQ-UHFFFAOYSA-N 0 3 296.327 -1.149 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@H]1CCCNC1=O ZINC001127947445 776074118 /nfs/dbraw/zinc/07/41/18/776074118.db2.gz VYWHQBGBGQROEH-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCN[C@H](C)C(N)=O ZINC001127946208 776074148 /nfs/dbraw/zinc/07/41/48/776074148.db2.gz HYSKZQXIRYDACS-HTQZYQBOSA-N 0 3 258.322 -1.519 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)COC ZINC001127972609 776075140 /nfs/dbraw/zinc/07/51/40/776075140.db2.gz AGCKDHONRNGNBL-SECBINFHSA-N 0 3 288.348 -2.021 20 0 CAADHN COCCNC(=S)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239450293 776075315 /nfs/dbraw/zinc/07/53/15/776075315.db2.gz AQMDHPIPPKCOCN-YUMQZZPRSA-N 0 3 261.347 -1.061 20 0 CAADHN CCC(=O)N[C@H](C)C(=O)NCCNCC(=O)NC1CC1 ZINC001127984213 776077207 /nfs/dbraw/zinc/07/72/07/776077207.db2.gz BEKQMRQURVJRQL-SECBINFHSA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC001127986033 776078553 /nfs/dbraw/zinc/07/85/53/776078553.db2.gz UDFANHHHBVRKEF-SECBINFHSA-N 0 3 296.327 -1.150 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)NC(=O)c1ccoc1 ZINC001127986034 776079092 /nfs/dbraw/zinc/07/90/92/776079092.db2.gz UDFANHHHBVRKEF-VIFPVBQESA-N 0 3 296.327 -1.150 20 0 CAADHN CN1C[C@@H](NS(=O)(=O)N2CCNCC2)CCC1=O ZINC000084092945 776079125 /nfs/dbraw/zinc/07/91/25/776079125.db2.gz LFZCVFMGRXDZIT-VIFPVBQESA-N 0 3 276.362 -1.653 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)NC(=O)COC ZINC001127999842 776079954 /nfs/dbraw/zinc/07/99/54/776079954.db2.gz ZBWOSXVSMFFSIU-BDAKNGLRSA-N 0 3 288.348 -2.022 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001127992386 776080076 /nfs/dbraw/zinc/08/00/76/776080076.db2.gz CXLKLAFMCMGMEW-DTWKUNHWSA-N 0 3 286.332 -2.268 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)NCCN[C@H](C)C(N)=O ZINC001127994536 776080867 /nfs/dbraw/zinc/08/08/67/776080867.db2.gz UWTQRIDLVKUIHH-SFYZADRCSA-N 0 3 274.321 -2.283 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H](C)NC(=O)COC)C(N)=O ZINC001127999633 776080357 /nfs/dbraw/zinc/08/03/57/776080357.db2.gz SMZHAIBPGSYZCA-RKDXNWHRSA-N 0 3 288.348 -1.893 20 0 CAADHN C[C@@H](NC(=O)c1ccoc1)C(=O)NCCNCC(N)=O ZINC001128004299 776081776 /nfs/dbraw/zinc/08/17/76/776081776.db2.gz JOONGDHRBOIECM-MRVPVSSYSA-N 0 3 282.300 -1.411 20 0 CAADHN CN(C)C1(C(=O)NCCNC(=O)[C@H]2CCC(=O)N2)CCC1 ZINC001292578626 776082180 /nfs/dbraw/zinc/08/21/80/776082180.db2.gz CZLXOSNUODSHET-SNVBAGLBSA-N 0 3 296.371 -1.018 20 0 CAADHN CCC(=O)N1CCC[C@H](C(=O)NCCNCC(N)=O)C1 ZINC001128009099 776082243 /nfs/dbraw/zinc/08/22/43/776082243.db2.gz HPUKMYGTCVPJKS-JTQLQIEISA-N 0 3 284.360 -1.174 20 0 CAADHN CCC(=O)N1CCCC[C@@H]1C(=O)NCCNCC(N)=O ZINC001128018332 776083448 /nfs/dbraw/zinc/08/34/48/776083448.db2.gz HSTPQJUUNJXCSH-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001128018309 776083734 /nfs/dbraw/zinc/08/37/34/776083734.db2.gz HGMDSSUTRCMVHC-LLVKDONJSA-N 0 3 296.371 -1.174 20 0 CAADHN CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)C1(N(C)C)CCC1 ZINC001212403436 776085117 /nfs/dbraw/zinc/08/51/17/776085117.db2.gz KJYYQQXBROFEPK-GHMZBOCLSA-N 0 3 298.387 -1.229 20 0 CAADHN CC(C)CN1C[C@@H](O)[C@H](NC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001077831725 776088712 /nfs/dbraw/zinc/08/87/12/776088712.db2.gz WBCDCPKVLMYJDZ-GHMZBOCLSA-N 0 3 297.355 -1.144 20 0 CAADHN CO[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)CN(C)C1CCC1 ZINC001212414523 776091602 /nfs/dbraw/zinc/09/16/02/776091602.db2.gz LSEJDBXEWKPBTN-VXGBXAGGSA-N 0 3 298.387 -1.229 20 0 CAADHN COC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001077861509 776092585 /nfs/dbraw/zinc/09/25/85/776092585.db2.gz JYRPLUAHKVBWDZ-DJLDLDEBSA-N 0 3 269.305 -1.386 20 0 CAADHN COC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001077861509 776092589 /nfs/dbraw/zinc/09/25/89/776092589.db2.gz JYRPLUAHKVBWDZ-DJLDLDEBSA-N 0 3 269.305 -1.386 20 0 CAADHN C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001077861881 776094137 /nfs/dbraw/zinc/09/41/37/776094137.db2.gz ZQIJCMTTZLUQSI-XLPZGREQSA-N 0 3 255.278 -2.040 20 0 CAADHN C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001077861881 776094140 /nfs/dbraw/zinc/09/41/40/776094140.db2.gz ZQIJCMTTZLUQSI-XLPZGREQSA-N 0 3 255.278 -2.040 20 0 CAADHN C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001077861881 776094142 /nfs/dbraw/zinc/09/41/42/776094142.db2.gz ZQIJCMTTZLUQSI-XLPZGREQSA-N 0 3 255.278 -2.040 20 0 CAADHN COCCN1C[C@@H](O)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001077861527 776094171 /nfs/dbraw/zinc/09/41/71/776094171.db2.gz KRHHDMZDCACPQZ-HTQZYQBOSA-N 0 3 255.278 -1.774 20 0 CAADHN COCCN1C[C@@H](O)[C@H](NC(=O)c2nc[nH]n2)C1 ZINC001077861527 776094174 /nfs/dbraw/zinc/09/41/74/776094174.db2.gz KRHHDMZDCACPQZ-HTQZYQBOSA-N 0 3 255.278 -1.774 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001077848769 776094342 /nfs/dbraw/zinc/09/43/42/776094342.db2.gz OMNYRBMXXPEMEW-RKDXNWHRSA-N 0 3 284.316 -1.891 20 0 CAADHN CC1CCN(CC(=O)N[C@@H]2CN(CCO)C[C@H]2O)CC1 ZINC001077892623 776097469 /nfs/dbraw/zinc/09/74/69/776097469.db2.gz BGYQHPVCUWOZAD-CHWSQXEVSA-N 0 3 285.388 -1.128 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)C1CS(=O)(=O)C1 ZINC001128099489 776101614 /nfs/dbraw/zinc/10/16/14/776101614.db2.gz ZKZOQNNWIUTRDA-VIFPVBQESA-N 0 3 289.357 -1.985 20 0 CAADHN C[C@H](O)CN1C[C@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001089956285 776107300 /nfs/dbraw/zinc/10/73/00/776107300.db2.gz KFNMPSJFIHCLAF-WDEREUQCSA-N 0 3 299.371 -1.160 20 0 CAADHN COC[C@H](C)N1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001077976542 776107522 /nfs/dbraw/zinc/10/75/22/776107522.db2.gz JSKIDCIUIJLNRC-IVZWLZJFSA-N 0 3 283.332 -1.457 20 0 CAADHN C[C@H](O)CN1C[C@@H](NC(=O)C(N)=O)CC2(CCOCC2)C1 ZINC001089956284 776107929 /nfs/dbraw/zinc/10/79/29/776107929.db2.gz KFNMPSJFIHCLAF-QWRGUYRKSA-N 0 3 299.371 -1.160 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)CC[C@@H]1NC(=O)CNC1=O)C2 ZINC001272900017 776109745 /nfs/dbraw/zinc/10/97/45/776109745.db2.gz RNVDFUUZDIGUSO-VWYCJHECSA-N 0 3 294.355 -1.456 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001077994527 776112720 /nfs/dbraw/zinc/11/27/20/776112720.db2.gz NNESUUFAYQOGAP-NXEZZACHSA-N 0 3 298.343 -1.550 20 0 CAADHN CN(C)c1ccncc1C(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001078018407 776113603 /nfs/dbraw/zinc/11/36/03/776113603.db2.gz ZYPLDCBCUJPDJI-DGCLKSJQSA-N 0 3 294.355 -1.085 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001078035934 776114525 /nfs/dbraw/zinc/11/45/25/776114525.db2.gz YSFYUSHRRIGWFV-IVZWLZJFSA-N 0 3 255.318 -1.165 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001078035759 776114732 /nfs/dbraw/zinc/11/47/32/776114732.db2.gz QECVFUVIIMIZIB-IVZWLZJFSA-N 0 3 255.318 -1.164 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1O ZINC001078081447 776115686 /nfs/dbraw/zinc/11/56/86/776115686.db2.gz WRWIYRMLVGACGQ-JMJZKYOTSA-N 0 3 295.343 -1.704 20 0 CAADHN CNC(=O)CN1C[C@@H](O)[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001078079933 776116833 /nfs/dbraw/zinc/11/68/33/776116833.db2.gz QPKYNXLMEFHLQE-GHMZBOCLSA-N 0 3 295.343 -1.832 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001078105865 776117901 /nfs/dbraw/zinc/11/79/01/776117901.db2.gz VLQISRQDPKYZCB-GHMZBOCLSA-N 0 3 297.359 -1.538 20 0 CAADHN Cc1nn(CC(=O)N[C@@H]2CN(C(C)C)C[C@H]2O)c(=O)n1C ZINC001078105685 776118112 /nfs/dbraw/zinc/11/81/12/776118112.db2.gz LGWBIYTUPQYJIP-GHMZBOCLSA-N 0 3 297.359 -1.540 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H](C)CCNC(=O)C(N)=O ZINC001078115988 776120809 /nfs/dbraw/zinc/12/08/09/776120809.db2.gz FMGYBNUOFZRSMW-ZETCQYMHSA-N 0 3 281.316 -1.243 20 0 CAADHN C[C@@H](CCNC(=O)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001078118200 776122891 /nfs/dbraw/zinc/12/28/91/776122891.db2.gz IZMSJMQSMVPZAQ-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001078139700 776125847 /nfs/dbraw/zinc/12/58/47/776125847.db2.gz CHPUHPFWPCVCPP-QJPTWQEYSA-N 0 3 295.343 -1.524 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001078139699 776126582 /nfs/dbraw/zinc/12/65/82/776126582.db2.gz CHPUHPFWPCVCPP-IJLUTSLNSA-N 0 3 295.343 -1.524 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(=O)n(C)n2)C1 ZINC001078137340 776126620 /nfs/dbraw/zinc/12/66/20/776126620.db2.gz VAPVLLGAAUFCMZ-GHMZBOCLSA-N 0 3 280.328 -1.036 20 0 CAADHN C[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)CN2CCCC2)C1 ZINC001078178786 776128176 /nfs/dbraw/zinc/12/81/76/776128176.db2.gz DBFIHQZSXICCKI-QJPTWQEYSA-N 0 3 271.361 -1.376 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001078153097 776128368 /nfs/dbraw/zinc/12/83/68/776128368.db2.gz LPBINXZJIYRJRZ-NXEZZACHSA-N 0 3 283.328 -1.295 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CN2C(=O)CCC2=O)C1 ZINC001078152905 776128619 /nfs/dbraw/zinc/12/86/19/776128619.db2.gz KHCPVAQFLGMSCO-NXEZZACHSA-N 0 3 283.328 -1.293 20 0 CAADHN Cc1nccn1CC(=O)N[C@@H]1CN(C[C@H](C)O)C[C@H]1O ZINC001078183363 776130231 /nfs/dbraw/zinc/13/02/31/776130231.db2.gz NMEUBSKQLSXBOH-MVWJERBFSA-N 0 3 282.344 -1.266 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078193223 776130299 /nfs/dbraw/zinc/13/02/99/776130299.db2.gz IBKKEWLIGMIPOP-IVZWLZJFSA-N 0 3 291.373 -1.751 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001078193184 776130533 /nfs/dbraw/zinc/13/05/33/776130533.db2.gz GMFWSNGSTKXFPS-IVZWLZJFSA-N 0 3 291.373 -1.752 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001078193224 776131022 /nfs/dbraw/zinc/13/10/22/776131022.db2.gz IBKKEWLIGMIPOP-OPRDCNLKSA-N 0 3 291.373 -1.751 20 0 CAADHN Cc1nccn1CC(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001078182348 776132428 /nfs/dbraw/zinc/13/24/28/776132428.db2.gz QJIBGEPMEMKPGC-GHMZBOCLSA-N 0 3 268.317 -1.655 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2COCCN2C(C)=O)C1 ZINC001078199703 776133284 /nfs/dbraw/zinc/13/32/84/776133284.db2.gz SLYDLTBUZASXQC-FRRDWIJNSA-N 0 3 299.371 -1.195 20 0 CAADHN CCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001078205748 776133493 /nfs/dbraw/zinc/13/34/93/776133493.db2.gz BETIWNMTJIAHMI-IJLUTSLNSA-N 0 3 271.361 -1.112 20 0 CAADHN CC(C)N1C[C@@H](O)[C@H](NC(=O)c2cn(C)c(=O)n2C)C1 ZINC001078239988 776134830 /nfs/dbraw/zinc/13/48/30/776134830.db2.gz WOQLGIGKSGUBKM-MWLCHTKSSA-N 0 3 282.344 -1.093 20 0 CAADHN COCC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001078302382 776137100 /nfs/dbraw/zinc/13/71/00/776137100.db2.gz HJSPQQGJEFYVJW-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CC(=O)NCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099635464 776139138 /nfs/dbraw/zinc/13/91/38/776139138.db2.gz DREIPNGZGNHTEU-QWRGUYRKSA-N 0 3 273.333 -1.944 20 0 CAADHN CC(=O)NCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099635465 776139730 /nfs/dbraw/zinc/13/97/30/776139730.db2.gz DREIPNGZGNHTEU-WDEREUQCSA-N 0 3 273.333 -1.944 20 0 CAADHN Cn1cncc1CNC[C@@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001078457512 776140468 /nfs/dbraw/zinc/14/04/68/776140468.db2.gz YOGSUKQMFSCDDW-LLVKDONJSA-N 0 3 295.343 -1.388 20 0 CAADHN NC(=O)C(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001078456722 776140485 /nfs/dbraw/zinc/14/04/85/776140485.db2.gz GCJYWPYKXUFMDB-IUCAKERBSA-N 0 3 284.316 -2.433 20 0 CAADHN Cn1cncc1CNC[C@H]1CN(C(=O)C(N)=O)CCCO1 ZINC001078457513 776141629 /nfs/dbraw/zinc/14/16/29/776141629.db2.gz YOGSUKQMFSCDDW-NSHDSACASA-N 0 3 295.343 -1.388 20 0 CAADHN Cc1nc(CNC[C@@H]2CN(C(=O)C(N)=O)CCCO2)n[nH]1 ZINC001078458155 776141806 /nfs/dbraw/zinc/14/18/06/776141806.db2.gz ATPLJSWRIRLHGP-SECBINFHSA-N 0 3 296.331 -1.694 20 0 CAADHN Cn1nncc1CN[C@@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001078713880 776145163 /nfs/dbraw/zinc/14/51/63/776145163.db2.gz TXONZHBLEYQKFZ-ZJUUUORDSA-N 0 3 292.343 -1.183 20 0 CAADHN Cn1nncc1CN[C@H]1C[C@H](NC(=O)C(N)=O)C12CCC2 ZINC001078713876 776145293 /nfs/dbraw/zinc/14/52/93/776145293.db2.gz TXONZHBLEYQKFZ-UWVGGRQHSA-N 0 3 292.343 -1.183 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc[n-]2)C12CCC2 ZINC001078778277 776147406 /nfs/dbraw/zinc/14/74/06/776147406.db2.gz ZUPQKCSNMRFOGF-IUCAKERBSA-N 0 3 292.343 -1.151 20 0 CAADHN C[C@@H]1CN(C(=O)c2cncn2C)C[C@H]1NCC(N)=O ZINC001054870124 776149444 /nfs/dbraw/zinc/14/94/44/776149444.db2.gz POPJLBKMPXOSGB-RKDXNWHRSA-N 0 3 265.317 -1.045 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCN(C(C)=O)C1 ZINC001149325031 776150856 /nfs/dbraw/zinc/15/08/56/776150856.db2.gz ICSSPJSXXANGGH-KOLCDFICSA-N 0 3 284.360 -1.305 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cccn2nnnc12 ZINC001128199021 776152191 /nfs/dbraw/zinc/15/21/91/776152191.db2.gz AAOOEEBYLGUDFN-SECBINFHSA-N 0 3 289.299 -1.668 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cccn2nnnc12 ZINC001128200324 776152676 /nfs/dbraw/zinc/15/26/76/776152676.db2.gz RFSUGTLEAMOLJQ-UHFFFAOYSA-N 0 3 291.315 -1.420 20 0 CAADHN Cc1cc(C(=O)NCCNCC(=O)NC(N)=O)c(C)nn1 ZINC001128264403 776153526 /nfs/dbraw/zinc/15/35/26/776153526.db2.gz QEOVAHKLQOMOSI-UHFFFAOYSA-N 0 3 294.315 -1.392 20 0 CAADHN O=C(CNCCNC(=O)Cn1nccn1)NCC1CC1 ZINC001128269917 776154953 /nfs/dbraw/zinc/15/49/53/776154953.db2.gz XIDTUNVEKOMOGN-UHFFFAOYSA-N 0 3 280.332 -1.490 20 0 CAADHN O=C(Cn1nccn1)NCCN[C@H]1CCNC1=O ZINC001128269081 776155042 /nfs/dbraw/zinc/15/50/42/776155042.db2.gz HTGRPJBOMLECNM-QMMMGPOBSA-N 0 3 252.278 -2.128 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128269385 776155501 /nfs/dbraw/zinc/15/55/01/776155501.db2.gz KIQWONJQHCXFBG-UHFFFAOYSA-N 0 3 283.292 -2.561 20 0 CAADHN Cn1cc(CNCCNC(=O)Cn2nccn2)cn1 ZINC001128268720 776155830 /nfs/dbraw/zinc/15/58/30/776155830.db2.gz CLCQAZSAWQYGFH-UHFFFAOYSA-N 0 3 263.305 -1.082 20 0 CAADHN O=C(CNCCNC(=O)Cn1nccn1)NCC1CCC1 ZINC001128269061 776155853 /nfs/dbraw/zinc/15/58/53/776155853.db2.gz HIPWHJNDACRWOJ-UHFFFAOYSA-N 0 3 294.359 -1.100 20 0 CAADHN O=C(Cn1nccn1)NCCNCC(=O)N1CCC1 ZINC001128269509 776155953 /nfs/dbraw/zinc/15/59/53/776155953.db2.gz NFAPJURETXJGJR-UHFFFAOYSA-N 0 3 266.305 -1.784 20 0 CAADHN O=C(Cn1nccn1)NCCN[C@@H]1CCNC1=O ZINC001128269077 776156086 /nfs/dbraw/zinc/15/60/86/776156086.db2.gz HTGRPJBOMLECNM-MRVPVSSYSA-N 0 3 252.278 -2.128 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128269704 776156186 /nfs/dbraw/zinc/15/61/86/776156186.db2.gz QUSRPYUFYGBMBE-UHFFFAOYSA-N 0 3 254.294 -1.880 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)Cn2nccn2)C1=O ZINC001128269072 776156241 /nfs/dbraw/zinc/15/62/41/776156241.db2.gz HRBVMZSVJOKYDF-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN Cn1nccc1CNCCNC(=O)Cn1nccn1 ZINC001128268959 776157314 /nfs/dbraw/zinc/15/73/14/776157314.db2.gz FLDBEPJPFYUHFO-UHFFFAOYSA-N 0 3 263.305 -1.082 20 0 CAADHN CCCNC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128269041 776157393 /nfs/dbraw/zinc/15/73/93/776157393.db2.gz GZDSFINKHBSGOT-UHFFFAOYSA-N 0 3 268.321 -1.490 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128269044 776157649 /nfs/dbraw/zinc/15/76/49/776157649.db2.gz GZVDFFPDXZRWIT-UHFFFAOYSA-N 0 3 298.347 -1.863 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1nccn1)C(N)=O ZINC001128273627 776157838 /nfs/dbraw/zinc/15/78/38/776157838.db2.gz RFAZJTJWRXWWOE-MRVPVSSYSA-N 0 3 254.294 -1.752 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)Cn1nccn1 ZINC001128273693 776158271 /nfs/dbraw/zinc/15/82/71/776158271.db2.gz SOJSYIBSOCSXBZ-UHFFFAOYSA-N 0 3 282.348 -1.244 20 0 CAADHN O=C(Cn1nccn1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001128273978 776158354 /nfs/dbraw/zinc/15/83/54/776158354.db2.gz YGLKOVRZEHYOSY-MRVPVSSYSA-N 0 3 280.288 -2.211 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1nccn1 ZINC001128273649 776158958 /nfs/dbraw/zinc/15/89/58/776158958.db2.gz RZHRUKVASCCXQL-MRVPVSSYSA-N 0 3 254.294 -1.882 20 0 CAADHN C[C@H](NCCNC(=O)Cn1nccn1)C(=O)NC1CC1 ZINC001128278473 776159074 /nfs/dbraw/zinc/15/90/74/776159074.db2.gz HAZQYROEILZFJU-VIFPVBQESA-N 0 3 280.332 -1.349 20 0 CAADHN CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)Cc2cnc[nH]2)[C@@H](O)C1 ZINC001083814854 776161121 /nfs/dbraw/zinc/16/11/21/776161121.db2.gz WZPQVUQQEOZESU-VWYCJHECSA-N 0 3 295.343 -1.623 20 0 CAADHN O=C(C(F)F)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001051380670 776162454 /nfs/dbraw/zinc/16/24/54/776162454.db2.gz MBXBEYYQVNBGDZ-JGVFFNPUSA-N 0 3 277.271 -1.043 20 0 CAADHN COc1cc(CCC(=O)NCCNCC(N)=O)on1 ZINC001128374949 776165118 /nfs/dbraw/zinc/16/51/18/776165118.db2.gz XSQFFEFOJWXXLZ-UHFFFAOYSA-N 0 3 270.289 -1.193 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccnc2[nH]cnc21 ZINC001128380715 776165267 /nfs/dbraw/zinc/16/52/67/776165267.db2.gz JGUJSVFLLIXWCJ-UHFFFAOYSA-N 0 3 262.273 -1.237 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnc2[nH]cnc2c1 ZINC001128418950 776166919 /nfs/dbraw/zinc/16/69/19/776166919.db2.gz YTVZTLLNMXPWQR-UHFFFAOYSA-N 0 3 262.273 -1.237 20 0 CAADHN NC(=O)CNCCNC(=O)CCc1ccncn1 ZINC001128427564 776167182 /nfs/dbraw/zinc/16/71/82/776167182.db2.gz HRGYTILTLKFDKE-UHFFFAOYSA-N 0 3 251.290 -1.400 20 0 CAADHN CCOCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099648339 776169239 /nfs/dbraw/zinc/16/92/39/776169239.db2.gz RDHGSJSGUYVXJR-QWRGUYRKSA-N 0 3 260.334 -1.043 20 0 CAADHN CCOCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099648340 776169283 /nfs/dbraw/zinc/16/92/83/776169283.db2.gz RDHGSJSGUYVXJR-WDEREUQCSA-N 0 3 260.334 -1.043 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001143135429 776170784 /nfs/dbraw/zinc/17/07/84/776170784.db2.gz XEISVVBFPHPENF-VIFPVBQESA-N 0 3 255.318 -1.162 20 0 CAADHN Cn1ccc(CCC(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001128464817 776170809 /nfs/dbraw/zinc/17/08/09/776170809.db2.gz VYHLUQMQOHJGHS-LLVKDONJSA-N 0 3 279.344 -1.053 20 0 CAADHN C[C@H](NCCNC(=O)CCc1ccnn1C)C(N)=O ZINC001128468122 776170990 /nfs/dbraw/zinc/17/09/90/776170990.db2.gz AHCQLGQODBDKPN-VIFPVBQESA-N 0 3 267.333 -1.068 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@H]1O)C1=COCCO1 ZINC001090031973 776173507 /nfs/dbraw/zinc/17/35/07/776173507.db2.gz PGPWWQJVYQEYSL-WDEREUQCSA-N 0 3 286.328 -1.192 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)C1=COCCO1 ZINC001090031972 776173621 /nfs/dbraw/zinc/17/36/21/776173621.db2.gz PGPWWQJVYQEYSL-QWRGUYRKSA-N 0 3 286.328 -1.192 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001099650395 776173826 /nfs/dbraw/zinc/17/38/26/776173826.db2.gz DEKAVJIRRWAVKO-UWVGGRQHSA-N 0 3 288.348 -1.757 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)C1=COCCO1 ZINC001090031971 776174039 /nfs/dbraw/zinc/17/40/39/776174039.db2.gz PGPWWQJVYQEYSL-MNOVXSKESA-N 0 3 286.328 -1.192 20 0 CAADHN CCCCN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@@H](O)C1 ZINC001083820259 776175147 /nfs/dbraw/zinc/17/51/47/776175147.db2.gz BJYJSRRJTZPHIL-AEJSXWLSSA-N 0 3 298.343 -1.454 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@H]1O)c1ccc(=O)[nH]n1 ZINC001090048854 776175268 /nfs/dbraw/zinc/17/52/68/776175268.db2.gz DIQRUPKQIWLGHB-GXSJLCMTSA-N 0 3 296.327 -1.270 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099650570 776175455 /nfs/dbraw/zinc/17/54/55/776175455.db2.gz HFVLOSLECBOGHG-BDAKNGLRSA-N 0 3 274.321 -2.412 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099650573 776175606 /nfs/dbraw/zinc/17/56/06/776175606.db2.gz HFVLOSLECBOGHG-RKDXNWHRSA-N 0 3 274.321 -2.412 20 0 CAADHN COCCN1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001090051106 776176803 /nfs/dbraw/zinc/17/68/03/776176803.db2.gz RLCOWICAKZDBSB-KOLCDFICSA-N 0 3 296.327 -1.006 20 0 CAADHN COCCN1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)[C@@H](O)C1 ZINC001090051110 776176887 /nfs/dbraw/zinc/17/68/87/776176887.db2.gz RLCOWICAKZDBSB-ONGXEEELSA-N 0 3 296.327 -1.006 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128665177 776204314 /nfs/dbraw/zinc/20/43/14/776204314.db2.gz KGIRBFXPABENRA-QMMMGPOBSA-N 0 3 256.306 -2.084 20 0 CAADHN O=C(Cn1cnnn1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090055276 776177347 /nfs/dbraw/zinc/17/73/47/776177347.db2.gz QNRGDTHAIDBVCF-UWVGGRQHSA-N 0 3 284.320 -2.393 20 0 CAADHN O=C(CN1CCCC1=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090058670 776178801 /nfs/dbraw/zinc/17/88/01/776178801.db2.gz AGOVZYBPTFMIAL-VXGBXAGGSA-N 0 3 299.371 -1.457 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CCCC2=O)[C@@H](O)C1 ZINC001090061023 776181122 /nfs/dbraw/zinc/18/11/22/776181122.db2.gz NPDBHSPNFBMNFK-RYUDHWBXSA-N 0 3 299.371 -1.193 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CN2CCCC2=O)[C@H](O)C1 ZINC001090061024 776181158 /nfs/dbraw/zinc/18/11/58/776181158.db2.gz NPDBHSPNFBMNFK-VXGBXAGGSA-N 0 3 299.371 -1.193 20 0 CAADHN O=C(Cn1cccn1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090080929 776182455 /nfs/dbraw/zinc/18/24/55/776182455.db2.gz YMDPCQJTRNOJTK-NWDGAFQWSA-N 0 3 282.344 -1.183 20 0 CAADHN C[C@H](NCCCNC(=O)c1nnc[nH]1)c1nnnn1C ZINC001168730962 776183921 /nfs/dbraw/zinc/18/39/21/776183921.db2.gz BLXAKNWGMKCBDO-ZETCQYMHSA-N 0 3 279.308 -1.201 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccns1 ZINC001128506589 776185413 /nfs/dbraw/zinc/18/54/13/776185413.db2.gz GPJRHQZKVCWNES-UHFFFAOYSA-N 0 3 271.302 -1.343 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)c1ccn[nH]1 ZINC001090100914 776185800 /nfs/dbraw/zinc/18/58/00/776185800.db2.gz UXIRGNMWKFBBGV-KOLCDFICSA-N 0 3 268.317 -1.043 20 0 CAADHN CN1CC2(C1)CCN(C(=O)CCC(=O)NCC(N)=O)CC2 ZINC001273041220 776185835 /nfs/dbraw/zinc/18/58/35/776185835.db2.gz OZYBHQBKMRZOQY-UHFFFAOYSA-N 0 3 296.371 -1.078 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@H]1O)c1ccn[nH]1 ZINC001090100917 776185959 /nfs/dbraw/zinc/18/59/59/776185959.db2.gz UXIRGNMWKFBBGV-MWLCHTKSSA-N 0 3 268.317 -1.043 20 0 CAADHN Cn1cnc(C(=O)NCC2(NCC(N)=O)CCC2)n1 ZINC001273078091 776188776 /nfs/dbraw/zinc/18/87/76/776188776.db2.gz YZJNCNNSWOJESQ-UHFFFAOYSA-N 0 3 266.305 -1.458 20 0 CAADHN Cn1ncc(CNCCCNC(=O)c2nnc[nH]2)n1 ZINC001168738572 776190360 /nfs/dbraw/zinc/19/03/60/776190360.db2.gz GOIVWERDTIWTCI-UHFFFAOYSA-N 0 3 264.293 -1.157 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@H]1O)c1cn[nH]c1 ZINC001090109467 776191257 /nfs/dbraw/zinc/19/12/57/776191257.db2.gz RRHALDNXMMMXAJ-WDEREUQCSA-N 0 3 268.317 -1.043 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)c1cn[nH]c1 ZINC001090109459 776191270 /nfs/dbraw/zinc/19/12/70/776191270.db2.gz RRHALDNXMMMXAJ-MNOVXSKESA-N 0 3 268.317 -1.043 20 0 CAADHN CC[C@H]1CC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)O1 ZINC001128545477 776192771 /nfs/dbraw/zinc/19/27/71/776192771.db2.gz YINMGPBAJXZSFF-IUCAKERBSA-N 0 3 286.332 -1.155 20 0 CAADHN C[C@@H](CC[NH2+]CC(=O)N(C)C)NC(=O)Cc1nnc[n-]1 ZINC001273113389 776192872 /nfs/dbraw/zinc/19/28/72/776192872.db2.gz UBYIVLXKLHDCLR-VIFPVBQESA-N 0 3 282.348 -1.080 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc(Br)n[nH]1 ZINC001128567085 776194644 /nfs/dbraw/zinc/19/46/44/776194644.db2.gz BMHVXSRENQLIJM-UHFFFAOYSA-N 0 3 290.121 -1.023 20 0 CAADHN Cn1nccc1C(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090134210 776197783 /nfs/dbraw/zinc/19/77/83/776197783.db2.gz MVAOMQQPEYKVQS-ZYHUDNBSSA-N 0 3 282.344 -1.033 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCNS(C)(=O)=O ZINC001128600875 776197801 /nfs/dbraw/zinc/19/78/01/776197801.db2.gz HBPQJFHSWPHCKV-UHFFFAOYSA-N 0 3 294.377 -2.232 20 0 CAADHN CC(C)C(=O)N(C)CC(=O)NCCNCC(=O)N(C)C ZINC001128590418 776197873 /nfs/dbraw/zinc/19/78/73/776197873.db2.gz KPPBVFTZIVWZOM-UHFFFAOYSA-N 0 3 286.376 -1.105 20 0 CAADHN CC(C)C(=O)N(C)CC(=O)NCCN[C@@H]1CCNC1=O ZINC001128590600 776198153 /nfs/dbraw/zinc/19/81/53/776198153.db2.gz QDIKGAAPIVPBHJ-SNVBAGLBSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)C(=O)N(C)CC(=O)NCCN[C@H]1CCNC1=O ZINC001128590599 776198266 /nfs/dbraw/zinc/19/82/66/776198266.db2.gz QDIKGAAPIVPBHJ-JTQLQIEISA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)C(=O)N(C)CC(=O)NCCN[C@H](C)C(N)=O ZINC001128590184 776198296 /nfs/dbraw/zinc/19/82/96/776198296.db2.gz CCBQIGDQXPPDTO-SECBINFHSA-N 0 3 272.349 -1.320 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN(C)C(=O)C(C)C ZINC001128590648 776198326 /nfs/dbraw/zinc/19/83/26/776198326.db2.gz SCCWCWFFFDICGA-JTQLQIEISA-N 0 3 286.376 -1.059 20 0 CAADHN Cn1cc(CC(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)cn1 ZINC001090136315 776199531 /nfs/dbraw/zinc/19/95/31/776199531.db2.gz DKGBFHZDYSBEHB-CHWSQXEVSA-N 0 3 296.371 -1.104 20 0 CAADHN C[C@@H](NCCNC(=O)CCNS(C)(=O)=O)C(N)=O ZINC001128603815 776199842 /nfs/dbraw/zinc/19/98/42/776199842.db2.gz NRPWDLNQDUKQMB-SSDOTTSWSA-N 0 3 280.350 -2.495 20 0 CAADHN CNC(=O)CNCCNC(=O)CN(C)C(=O)C1CC1 ZINC001128614047 776200199 /nfs/dbraw/zinc/20/01/99/776200199.db2.gz LUAOUQYPBOOJAP-UHFFFAOYSA-N 0 3 270.333 -1.693 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCNCC(N)=O ZINC001128618969 776200215 /nfs/dbraw/zinc/20/02/15/776200215.db2.gz IDFKRWHKLMSUFY-UHFFFAOYSA-N 0 3 260.294 -2.718 20 0 CAADHN CN(CC(=O)NCCN[C@H]1CCNC1=O)C(=O)C1CC1 ZINC001128614325 776200661 /nfs/dbraw/zinc/20/06/61/776200661.db2.gz ROIVJSUJLAVINT-JTQLQIEISA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCNS(C)(=O)=O ZINC001128609059 776200509 /nfs/dbraw/zinc/20/05/09/776200509.db2.gz MQAOZJPUMJZHSM-MRVPVSSYSA-N 0 3 294.377 -2.234 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN(C)C(=O)C1CC1 ZINC001128614388 776200581 /nfs/dbraw/zinc/20/05/81/776200581.db2.gz SWEWGLLZEPYQGC-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCNS(C)(=O)=O ZINC001128609060 776200722 /nfs/dbraw/zinc/20/07/22/776200722.db2.gz MQAOZJPUMJZHSM-QMMMGPOBSA-N 0 3 294.377 -2.234 20 0 CAADHN C[C@@H](NCCNC(=O)CN(C)C(=O)C1CC1)C(N)=O ZINC001128619350 776201053 /nfs/dbraw/zinc/20/10/53/776201053.db2.gz VLZXZZWYMALGNX-MRVPVSSYSA-N 0 3 270.333 -1.566 20 0 CAADHN CN(CC(=O)NCCN[C@H]1CCCNC1=O)C(=O)C1CC1 ZINC001128614407 776201361 /nfs/dbraw/zinc/20/13/61/776201361.db2.gz UCADXJSAFKCIDA-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CN(CC(=O)NCCN[C@@H]1CCNC1=O)C(=O)C1CC1 ZINC001128614327 776201381 /nfs/dbraw/zinc/20/13/81/776201381.db2.gz ROIVJSUJLAVINT-SNVBAGLBSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCNCC(=O)N(C)C ZINC001128632296 776201644 /nfs/dbraw/zinc/20/16/44/776201644.db2.gz HZCYPTFXPOJIOA-QWRGUYRKSA-N 0 3 298.387 -1.057 20 0 CAADHN C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCNCC(N)=O ZINC001128633082 776201867 /nfs/dbraw/zinc/20/18/67/776201867.db2.gz LWWBGPKOIXOEBA-DTWKUNHWSA-N 0 3 270.333 -1.660 20 0 CAADHN CNC(=O)CNCCNC(=O)CCNC(=O)[C@@H]1C[C@H]1C ZINC001128633133 776201963 /nfs/dbraw/zinc/20/19/63/776201963.db2.gz MNFUFUDTVWBMJH-NXEZZACHSA-N 0 3 284.360 -1.400 20 0 CAADHN CC(C)N1C[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)CC1=O ZINC001128639781 776202008 /nfs/dbraw/zinc/20/20/08/776202008.db2.gz LBIYCHWWQPYCGW-WDEREUQCSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCNCC(N)=O ZINC001128633080 776202386 /nfs/dbraw/zinc/20/23/86/776202386.db2.gz LWWBGPKOIXOEBA-BDAKNGLRSA-N 0 3 270.333 -1.660 20 0 CAADHN CC(C)N1C[C@H](C(=O)NCCN[C@@H]2CCNC2=O)CC1=O ZINC001128639770 776202423 /nfs/dbraw/zinc/20/24/23/776202423.db2.gz LBIYCHWWQPYCGW-GHMZBOCLSA-N 0 3 296.371 -1.162 20 0 CAADHN CC[C@@H](NCCNC(=O)CN(C)C(=O)C1CC1)C(N)=O ZINC001128624353 776202454 /nfs/dbraw/zinc/20/24/54/776202454.db2.gz YREZQYNTXUBZDC-SNVBAGLBSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)N1C[C@@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001128640081 776202508 /nfs/dbraw/zinc/20/25/08/776202508.db2.gz OIBIMIASHCYNEC-VIFPVBQESA-N 0 3 270.333 -1.566 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCNC(=O)[C@@H]1C[C@@H]1C ZINC001128632598 776202529 /nfs/dbraw/zinc/20/25/29/776202529.db2.gz IJMOJWOZJHKACF-WDEREUQCSA-N 0 3 298.387 -1.009 20 0 CAADHN COCC(=O)N(C)CC(=O)NCCN[C@@H](C)C(N)=O ZINC001128619533 776202580 /nfs/dbraw/zinc/20/25/80/776202580.db2.gz YOCGBGHUCPUWHF-QMMMGPOBSA-N 0 3 274.321 -2.329 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCNCC(N)=O ZINC001128633084 776202589 /nfs/dbraw/zinc/20/25/89/776202589.db2.gz LWWBGPKOIXOEBA-IUCAKERBSA-N 0 3 270.333 -1.660 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CC(=O)N(CC)C1)C(N)=O ZINC001128650705 776203197 /nfs/dbraw/zinc/20/31/97/776203197.db2.gz OEXPEYNLTPYVOI-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)(C)N1C[C@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001128657442 776203282 /nfs/dbraw/zinc/20/32/82/776203282.db2.gz LLMIOKAMYWZBAE-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCN1C[C@@H](C(=O)NCCNCC(=O)NC2CC2)CC1=O ZINC001128649104 776203614 /nfs/dbraw/zinc/20/36/14/776203614.db2.gz AHMCCGNIEWNWKY-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CCN1C[C@@H](C(=O)NCCN[C@H](C)C(N)=O)CC1=O ZINC001128650500 776203656 /nfs/dbraw/zinc/20/36/56/776203656.db2.gz MLNRVBIATCYACN-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CCN1C[C@H](C(=O)NCCN[C@H]2CCCNC2=O)CC1=O ZINC001128651303 776203711 /nfs/dbraw/zinc/20/37/11/776203711.db2.gz TXPVXHJENYJABB-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCN1C[C@@H](C(=O)NCCN[C@H](C)C(=O)NC)CC1=O ZINC001128650841 776203759 /nfs/dbraw/zinc/20/37/59/776203759.db2.gz PPJBHERCMBMRKX-ZJUUUORDSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)(C)N1C[C@@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001128657444 776203788 /nfs/dbraw/zinc/20/37/88/776203788.db2.gz LLMIOKAMYWZBAE-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128664161 776203829 /nfs/dbraw/zinc/20/38/29/776203829.db2.gz AEEJQGFEMOWJFI-MRVPVSSYSA-N 0 3 299.331 -2.374 20 0 CAADHN CCN1C[C@H](C(=O)NCCN[C@H](C)C(N)=O)CC1=O ZINC001128650503 776203910 /nfs/dbraw/zinc/20/39/10/776203910.db2.gz MLNRVBIATCYACN-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@H]2CCNC2=O)CC1=O ZINC001128664209 776204085 /nfs/dbraw/zinc/20/40/85/776204085.db2.gz BFQZVPLGEVOBOA-IUCAKERBSA-N 0 3 268.317 -1.941 20 0 CAADHN CCN1C[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)CC1=O ZINC001128650502 776204138 /nfs/dbraw/zinc/20/41/38/776204138.db2.gz MLNRVBIATCYACN-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128664162 776204170 /nfs/dbraw/zinc/20/41/70/776204170.db2.gz AEEJQGFEMOWJFI-QMMMGPOBSA-N 0 3 299.331 -2.374 20 0 CAADHN CCN1C[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)CC1=O ZINC001128650206 776204182 /nfs/dbraw/zinc/20/41/82/776204182.db2.gz KLYPOPWBSOOUAS-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)CC1=O ZINC001128664208 776204188 /nfs/dbraw/zinc/20/41/88/776204188.db2.gz BFQZVPLGEVOBOA-DTWKUNHWSA-N 0 3 268.317 -1.941 20 0 CAADHN CCN1C[C@H](C(=O)NCCN[C@H](C)C(=O)NC)CC1=O ZINC001128650836 776204210 /nfs/dbraw/zinc/20/42/10/776204210.db2.gz PPJBHERCMBMRKX-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CC(=O)N(CC)C1)C(N)=O ZINC001128650711 776204365 /nfs/dbraw/zinc/20/43/65/776204365.db2.gz OEXPEYNLTPYVOI-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128673011 776204866 /nfs/dbraw/zinc/20/48/66/776204866.db2.gz KDEDRNAWUBUOJM-LLVKDONJSA-N 0 3 298.387 -1.057 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128665342 776204881 /nfs/dbraw/zinc/20/48/81/776204881.db2.gz OHMDHDOHCZBHFH-SECBINFHSA-N 0 3 270.333 -1.741 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)NC2CC2)CC1=O ZINC001128665450 776205047 /nfs/dbraw/zinc/20/50/47/776205047.db2.gz OOWCPIULZGVUEP-SECBINFHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)NC1CC1 ZINC001128673420 776205125 /nfs/dbraw/zinc/20/51/25/776205125.db2.gz LRFNNAAERFMDQV-UWVGGRQHSA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)N(C)C ZINC001128671676 776205189 /nfs/dbraw/zinc/20/51/89/776205189.db2.gz COQZGIPGBCHVOF-ZJUUUORDSA-N 0 3 284.360 -1.353 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CC(=O)N(C)C1 ZINC001128665340 776205221 /nfs/dbraw/zinc/20/52/21/776205221.db2.gz OEUPHMWGHYREDV-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128665975 776205240 /nfs/dbraw/zinc/20/52/40/776205240.db2.gz XDLFLISZJKRNEX-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)CC1=O ZINC001128665473 776205279 /nfs/dbraw/zinc/20/52/79/776205279.db2.gz OWKFGWAESYQYGH-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CC(=O)N(C)C1)C(N)=O ZINC001128665893 776205297 /nfs/dbraw/zinc/20/52/97/776205297.db2.gz VWGKSONSTBNUHZ-SFYZADRCSA-N 0 3 256.306 -1.956 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)NC(N)=O ZINC001128672504 776205344 /nfs/dbraw/zinc/20/53/44/776205344.db2.gz IOGUJZQHNZZBKY-JGVFFNPUSA-N 0 3 299.331 -2.246 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CC(=O)N(C)C1)C(=O)NC1CC1 ZINC001128673422 776205363 /nfs/dbraw/zinc/20/53/63/776205363.db2.gz LRFNNAAERFMDQV-ZJUUUORDSA-N 0 3 296.371 -1.162 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)N2CCCC2)CC1=O ZINC001128665528 776205376 /nfs/dbraw/zinc/20/53/76/776205376.db2.gz QBEAJGRALNATIV-LLVKDONJSA-N 0 3 296.371 -1.207 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2CC(=O)N(C)C2)C1=O ZINC001128673689 776205564 /nfs/dbraw/zinc/20/55/64/776205564.db2.gz NSTRUAJIISATJH-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2CC(=O)N(C)C2)C1=O ZINC001128673693 776205590 /nfs/dbraw/zinc/20/55/90/776205590.db2.gz NSTRUAJIISATJH-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CC(=O)N(C)C1)C(=O)NC1CC1 ZINC001128673419 776205611 /nfs/dbraw/zinc/20/56/11/776205611.db2.gz LRFNNAAERFMDQV-NXEZZACHSA-N 0 3 296.371 -1.162 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)CC1=O ZINC001128665471 776205688 /nfs/dbraw/zinc/20/56/88/776205688.db2.gz OWISMOPEQINTBL-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001128665341 776205842 /nfs/dbraw/zinc/20/58/42/776205842.db2.gz OEUPHMWGHYREDV-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)NCC2CC2)CC1=O ZINC001128665446 776205910 /nfs/dbraw/zinc/20/59/10/776205910.db2.gz OMTHKLXAAVRRFK-NSHDSACASA-N 0 3 296.371 -1.303 20 0 CAADHN CCN1C[C@H](C(=O)NCCN[C@H]2CCN(C)C2=O)CC1=O ZINC001128679878 776206371 /nfs/dbraw/zinc/20/63/71/776206371.db2.gz LZQOAWJZDJJXDD-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCNC(=O)COC ZINC001128692188 776206611 /nfs/dbraw/zinc/20/66/11/776206611.db2.gz WDVRKAFGBNERSC-SECBINFHSA-N 0 3 288.348 -2.021 20 0 CAADHN COCC(=O)NCCC(=O)NCCNCc1ccnn1C ZINC001128686741 776206823 /nfs/dbraw/zinc/20/68/23/776206823.db2.gz UKYOWXASBLNHJG-UHFFFAOYSA-N 0 3 297.359 -1.221 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CC(=O)N(C)C1)C(N)=O ZINC001128674088 776206838 /nfs/dbraw/zinc/20/68/38/776206838.db2.gz QJYIMUHHPQDCPZ-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN O=C(CCn1ccccc1=O)NCCN[C@H]1CCNC1=O ZINC001128715264 776208351 /nfs/dbraw/zinc/20/83/51/776208351.db2.gz FMHCYKLTSILJOL-NSHDSACASA-N 0 3 292.339 -1.167 20 0 CAADHN CNC(=O)CNCCNC(=O)CCn1ccccc1=O ZINC001128715116 776208498 /nfs/dbraw/zinc/20/84/98/776208498.db2.gz CMAQYPXGBNIIMF-UHFFFAOYSA-N 0 3 280.328 -1.310 20 0 CAADHN CC[C@@H](NCCNC(=O)CCNC(=O)COC)C(N)=O ZINC001128691341 776208554 /nfs/dbraw/zinc/20/85/54/776208554.db2.gz IEQJRXJOAFULNY-SECBINFHSA-N 0 3 288.348 -1.891 20 0 CAADHN COCC(=O)NCCC(=O)NCCN[C@H](C)C(N)=O ZINC001128691806 776208685 /nfs/dbraw/zinc/20/86/85/776208685.db2.gz NDSBYBXKOBHDNR-MRVPVSSYSA-N 0 3 274.321 -2.281 20 0 CAADHN O=C(CCCNC(=O)C1CC1)NCCN[C@H]1CCNC1=O ZINC001128696420 776208816 /nfs/dbraw/zinc/20/88/16/776208816.db2.gz KWBKLKUEZYIVBH-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CC[C@H](NCCNC(=O)CCNC(=O)COC)C(N)=O ZINC001128691342 776208885 /nfs/dbraw/zinc/20/88/85/776208885.db2.gz IEQJRXJOAFULNY-VIFPVBQESA-N 0 3 288.348 -1.891 20 0 CAADHN C[C@@H](NCCNC(=O)CCCNC(=O)C1CC1)C(N)=O ZINC001128696710 776209029 /nfs/dbraw/zinc/20/90/29/776209029.db2.gz OQXSWFDKEAUIGO-SECBINFHSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H](C)N1C(=O)CCC1=O)C(N)=O ZINC001128720402 776209328 /nfs/dbraw/zinc/20/93/28/776209328.db2.gz LXVZZHQKNDHPGL-IUCAKERBSA-N 0 3 298.343 -1.506 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC001128728748 776210028 /nfs/dbraw/zinc/21/00/28/776210028.db2.gz ZGLLAJSFPHBMPG-SECBINFHSA-N 0 3 298.343 -1.634 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](C)N1C(=O)CCC1=O ZINC001128728749 776210166 /nfs/dbraw/zinc/21/01/66/776210166.db2.gz ZGLLAJSFPHBMPG-VIFPVBQESA-N 0 3 298.343 -1.634 20 0 CAADHN C[C@H](C(=O)NCCN[C@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001128728189 776210690 /nfs/dbraw/zinc/21/06/90/776210690.db2.gz MTDCSIRGSMMTKU-BDAKNGLRSA-N 0 3 296.327 -1.882 20 0 CAADHN Nc1nccnc1C(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090142118 776211067 /nfs/dbraw/zinc/21/10/67/776211067.db2.gz SUJMZSKOOODRFJ-UWVGGRQHSA-N 0 3 295.343 -1.394 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H]1CCNC1=O)N1C(=O)CCC1=O ZINC001128728193 776211076 /nfs/dbraw/zinc/21/10/76/776211076.db2.gz MTDCSIRGSMMTKU-RKDXNWHRSA-N 0 3 296.327 -1.882 20 0 CAADHN Cn1c(=O)ccn(CC(=O)NCCNCC(N)=O)c1=O ZINC001128763884 776212010 /nfs/dbraw/zinc/21/20/10/776212010.db2.gz LGISVWNASHLDMK-UHFFFAOYSA-N 0 3 283.288 -3.262 20 0 CAADHN CCCN1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001083858389 776212620 /nfs/dbraw/zinc/21/26/20/776212620.db2.gz ANCQCXHAQLLLHS-ZJUUUORDSA-N 0 3 283.328 -1.390 20 0 CAADHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]1O)C1CC(=O)NC(=O)C1 ZINC001083858405 776212642 /nfs/dbraw/zinc/21/26/42/776212642.db2.gz BAMJKPBBGQKBSJ-MNOVXSKESA-N 0 3 295.339 -1.390 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1ccc(=O)n(C)c1=O ZINC001128764266 776212983 /nfs/dbraw/zinc/21/29/83/776212983.db2.gz VBZNRQDXJRUZJD-UHFFFAOYSA-N 0 3 297.315 -3.001 20 0 CAADHN C[C@H](NCCNC(=O)Cn1ccc(=O)n(C)c1=O)C(N)=O ZINC001128763692 776213095 /nfs/dbraw/zinc/21/30/95/776213095.db2.gz HJODGGSHOALCJE-QMMMGPOBSA-N 0 3 297.315 -2.873 20 0 CAADHN CNC(=O)NCC(=O)NCCNCc1cn(C)nc1C ZINC001128788918 776214088 /nfs/dbraw/zinc/21/40/88/776214088.db2.gz BEBKWLYRPOIDQS-UHFFFAOYSA-N 0 3 282.348 -1.137 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)CNC(=O)NC ZINC001128789561 776214094 /nfs/dbraw/zinc/21/40/94/776214094.db2.gz KQQUQYIDYCTMIM-VIFPVBQESA-N 0 3 287.364 -1.464 20 0 CAADHN Cc1c(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)nnn1C ZINC001090158241 776214784 /nfs/dbraw/zinc/21/47/84/776214784.db2.gz HSESZRGKQZABNH-WDEREUQCSA-N 0 3 297.359 -1.329 20 0 CAADHN O=C(Cc1cc[nH]n1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090160402 776214841 /nfs/dbraw/zinc/21/48/41/776214841.db2.gz ZRUJIGGCXYLLDB-RYUDHWBXSA-N 0 3 282.344 -1.114 20 0 CAADHN O=C(Cc1cc[nH]n1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090160405 776214934 /nfs/dbraw/zinc/21/49/34/776214934.db2.gz ZRUJIGGCXYLLDB-VXGBXAGGSA-N 0 3 282.344 -1.114 20 0 CAADHN O=C(Cc1cc[nH]n1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090160400 776214949 /nfs/dbraw/zinc/21/49/49/776214949.db2.gz ZRUJIGGCXYLLDB-NWDGAFQWSA-N 0 3 282.344 -1.114 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001128789459 776215137 /nfs/dbraw/zinc/21/51/37/776215137.db2.gz GTUWNIVMJGZKRX-UHFFFAOYSA-N 0 3 299.375 -1.510 20 0 CAADHN CNC(=O)NCC(=O)NCCNCC(=O)NCC(C)C ZINC001128795049 776215878 /nfs/dbraw/zinc/21/58/78/776215878.db2.gz HTQLCYZEOLTNFT-UHFFFAOYSA-N 0 3 287.364 -1.607 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@@H]1CCN(C(C)C)C1=O ZINC001128795075 776216007 /nfs/dbraw/zinc/21/60/07/776216007.db2.gz IREKILLNEVZRMF-SNVBAGLBSA-N 0 3 299.375 -1.370 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CNC(=O)NC ZINC001128790101 776216639 /nfs/dbraw/zinc/21/66/39/776216639.db2.gz PPGXMOYAXOGGEA-UHFFFAOYSA-N 0 3 273.337 -1.901 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)CNC(=O)NC ZINC001128800496 776217160 /nfs/dbraw/zinc/21/71/60/776217160.db2.gz VFLZEMDEGPLHCS-VIFPVBQESA-N 0 3 287.364 -1.464 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCCS1(=O)=O)C(N)=O ZINC001128814590 776217380 /nfs/dbraw/zinc/21/73/80/776217380.db2.gz ULBSNAZKIAGKII-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC1CC1 ZINC001128800670 776217457 /nfs/dbraw/zinc/21/74/57/776217457.db2.gz YLKZKKSRJOUVHA-QMMMGPOBSA-N 0 3 285.348 -1.712 20 0 CAADHN O=C(CN1CCCS1(=O)=O)NCCNCCF ZINC001128814206 776217483 /nfs/dbraw/zinc/21/74/83/776217483.db2.gz MEBZZSONIXTJSK-UHFFFAOYSA-N 0 3 267.326 -1.303 20 0 CAADHN CNC(=O)NCC(=O)NCCN[C@@H](C)C(=O)NC ZINC001128795358 776217927 /nfs/dbraw/zinc/21/79/27/776217927.db2.gz MINWFCAZNFKFJY-ZETCQYMHSA-N 0 3 259.310 -2.244 20 0 CAADHN CCN(C(=O)CNCCNC(=O)CNC(=O)NC)C1CC1 ZINC001128800429 776218020 /nfs/dbraw/zinc/21/80/20/776218020.db2.gz RXHMTKARURBKLB-UHFFFAOYSA-N 0 3 299.375 -1.368 20 0 CAADHN Cc1cc(CC(=O)N[C@@H]2CCN(CCO)C[C@H]2O)n[nH]1 ZINC001090182661 776219787 /nfs/dbraw/zinc/21/97/87/776219787.db2.gz NJWZKASEFGUWQF-VXGBXAGGSA-N 0 3 282.344 -1.196 20 0 CAADHN Cc1cc(CC(=O)N[C@@H]2CCN(CCO)C[C@H]2O)[nH]n1 ZINC001090182661 776219795 /nfs/dbraw/zinc/21/97/95/776219795.db2.gz NJWZKASEFGUWQF-VXGBXAGGSA-N 0 3 282.344 -1.196 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090197473 776220474 /nfs/dbraw/zinc/22/04/74/776220474.db2.gz NAOWRFRBSHZELC-UWVGGRQHSA-N 0 3 299.331 -2.083 20 0 CAADHN COCCN1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090196098 776220745 /nfs/dbraw/zinc/22/07/45/776220745.db2.gz BKVRUGSOHQZEJM-UWVGGRQHSA-N 0 3 299.331 -1.819 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccc2n[nH]nc2n1 ZINC001128879545 776220839 /nfs/dbraw/zinc/22/08/39/776220839.db2.gz FWBLXJBRRKINKG-UHFFFAOYSA-N 0 3 291.315 -1.192 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090197511 776221362 /nfs/dbraw/zinc/22/13/62/776221362.db2.gz NRMXEMBMZFHJOM-BDAKNGLRSA-N 0 3 269.305 -1.445 20 0 CAADHN O=C(CN1CN=NC1=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090197472 776221580 /nfs/dbraw/zinc/22/15/80/776221580.db2.gz NAOWRFRBSHZELC-NXEZZACHSA-N 0 3 299.331 -2.083 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090197513 776221794 /nfs/dbraw/zinc/22/17/94/776221794.db2.gz NRMXEMBMZFHJOM-IUCAKERBSA-N 0 3 269.305 -1.445 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc2n[nH]nc2n1)C(N)=O ZINC001128879766 776221803 /nfs/dbraw/zinc/22/18/03/776221803.db2.gz LWOIJTLKXOOHSV-LURJTMIESA-N 0 3 277.288 -1.454 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)c1 ZINC001090196964 776221858 /nfs/dbraw/zinc/22/18/58/776221858.db2.gz IDHZUPHLHQKMEQ-ZYHUDNBSSA-N 0 3 282.344 -1.033 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090197512 776221927 /nfs/dbraw/zinc/22/19/27/776221927.db2.gz NRMXEMBMZFHJOM-DTWKUNHWSA-N 0 3 269.305 -1.445 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc2n(n1)CCC2 ZINC001128899944 776223931 /nfs/dbraw/zinc/22/39/31/776223931.db2.gz WLNDIWDWBYCMJU-UHFFFAOYSA-N 0 3 265.317 -1.105 20 0 CAADHN COc1nc(C)ncc1C(=O)NCCN[C@@H](C)C(N)=O ZINC001128918924 776225394 /nfs/dbraw/zinc/22/53/94/776225394.db2.gz RIGRWAINWAONOI-ZETCQYMHSA-N 0 3 281.316 -1.013 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCOCC2)[C@H](O)C1 ZINC001090205045 776225833 /nfs/dbraw/zinc/22/58/33/776225833.db2.gz ZEQDXOAEUGZNGI-NWDGAFQWSA-N 0 3 271.361 -1.110 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1c[nH]cn1 ZINC001128967149 776226562 /nfs/dbraw/zinc/22/65/62/776226562.db2.gz CTSHORVJLKPWJK-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)C1 ZINC001090223934 776228369 /nfs/dbraw/zinc/22/83/69/776228369.db2.gz BHBKLRDSLAAPDX-OLZOCXBDSA-N 0 3 299.371 -1.602 20 0 CAADHN O=C(CCc1c[nH]cn1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001128967556 776228755 /nfs/dbraw/zinc/22/87/55/776228755.db2.gz WDNKUSIRDWYZJY-SNVBAGLBSA-N 0 3 293.327 -1.147 20 0 CAADHN CC(=O)Nc1cccnc1C(=O)NCCNCC(N)=O ZINC001128963725 776228862 /nfs/dbraw/zinc/22/88/62/776228862.db2.gz BGXCQJZNZFVZNE-UHFFFAOYSA-N 0 3 279.300 -1.155 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1c[nH]cn1)C(N)=O ZINC001128967214 776228947 /nfs/dbraw/zinc/22/89/47/776228947.db2.gz GWAUKLWAWHTJFP-MRVPVSSYSA-N 0 3 253.306 -1.078 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1c[nH]cn1 ZINC001128967478 776229648 /nfs/dbraw/zinc/22/96/48/776229648.db2.gz SFPWUNZHDIBBDK-UHFFFAOYSA-N 0 3 282.304 -1.757 20 0 CAADHN Cn1cnc(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090227079 776230249 /nfs/dbraw/zinc/23/02/49/776230249.db2.gz HDIDXRYUQJDFCN-NXEZZACHSA-N 0 3 283.332 -1.638 20 0 CAADHN CN1CCN(CCC(=O)N[C@@H](CO)C(N)=O)CC1 ZINC001143236576 776242832 /nfs/dbraw/zinc/24/28/32/776242832.db2.gz LZBDNEHKVBPMIQ-VIFPVBQESA-N 0 3 258.322 -2.414 20 0 CAADHN CCn1ncc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090232434 776232245 /nfs/dbraw/zinc/23/22/45/776232245.db2.gz VYKBUJRHJQOXCP-JQWIXIFHSA-N 0 3 297.359 -1.155 20 0 CAADHN Cn1nccc1CC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090231485 776232342 /nfs/dbraw/zinc/23/23/42/776232342.db2.gz OZZQOEZRVTUTLU-CHWSQXEVSA-N 0 3 296.371 -1.104 20 0 CAADHN CCn1ncc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090232435 776232679 /nfs/dbraw/zinc/23/26/79/776232679.db2.gz VYKBUJRHJQOXCP-PWSUYJOCSA-N 0 3 297.359 -1.155 20 0 CAADHN O=C(Cc1cncnc1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090232886 776233071 /nfs/dbraw/zinc/23/30/71/776233071.db2.gz ZQMIUDSKCVNTKC-CHWSQXEVSA-N 0 3 294.355 -1.047 20 0 CAADHN Cn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)nn1 ZINC001090239056 776234560 /nfs/dbraw/zinc/23/45/60/776234560.db2.gz BAKGFUCUYXUFSZ-GXSJLCMTSA-N 0 3 283.332 -1.638 20 0 CAADHN Cn1nncc1C(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090238394 776234607 /nfs/dbraw/zinc/23/46/07/776234607.db2.gz YAJAQDYBVVYYEN-KOLCDFICSA-N 0 3 283.332 -1.638 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@H]1O)c1ncc[nH]1 ZINC001090235224 776234824 /nfs/dbraw/zinc/23/48/24/776234824.db2.gz CUWQVGKDQVSLHF-NXEZZACHSA-N 0 3 268.317 -1.043 20 0 CAADHN Cc1nnc(CC(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)o1 ZINC001090246885 776235739 /nfs/dbraw/zinc/23/57/39/776235739.db2.gz PFWJIXVWGVKZAJ-QWRGUYRKSA-N 0 3 298.343 -1.146 20 0 CAADHN Cc1nnc(CC(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)o1 ZINC001090246884 776235881 /nfs/dbraw/zinc/23/58/81/776235881.db2.gz PFWJIXVWGVKZAJ-MNOVXSKESA-N 0 3 298.343 -1.146 20 0 CAADHN O=C(CCc1c[nH]cn1)NCCN[C@@H]1CCNC1=O ZINC001128992307 776236277 /nfs/dbraw/zinc/23/62/77/776236277.db2.gz ZMACWUDNMRZHEA-SNVBAGLBSA-N 0 3 265.317 -1.063 20 0 CAADHN Cc1nnc(CC(=O)N[C@H]2CCN(CCO)C[C@@H]2O)[nH]1 ZINC001090255750 776238721 /nfs/dbraw/zinc/23/87/21/776238721.db2.gz HDLADAKWUOKXKL-UWVGGRQHSA-N 0 3 283.332 -1.801 20 0 CAADHN Cc1c(CC(=O)NCCNCC(N)=O)cnn1C ZINC001129052392 776239929 /nfs/dbraw/zinc/23/99/29/776239929.db2.gz IMBLPPLPXXBKMQ-UHFFFAOYSA-N 0 3 253.306 -1.538 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H]1CCOC[C@H]1OC ZINC001129207768 776246158 /nfs/dbraw/zinc/24/61/58/776246158.db2.gz KZKMVNFDOWHOEO-WDEREUQCSA-N 0 3 287.360 -1.120 20 0 CAADHN Cn1cnc2[nH]c(=O)cc(C(=O)NCCNCC(N)=O)c21 ZINC001129200236 776246218 /nfs/dbraw/zinc/24/62/18/776246218.db2.gz XRTDWSLLOACCRH-UHFFFAOYSA-N 0 3 292.299 -1.521 20 0 CAADHN C[C@H](NCCNC(=O)CCCn1ccnn1)C(N)=O ZINC001129172589 776246357 /nfs/dbraw/zinc/24/63/57/776246357.db2.gz PYODQNNKMMQFQN-VIFPVBQESA-N 0 3 268.321 -1.362 20 0 CAADHN NC(=O)CNCCNC(=O)CCCn1ccnn1 ZINC001129172725 776246446 /nfs/dbraw/zinc/24/64/46/776246446.db2.gz TWDGEWLWLFLWPZ-UHFFFAOYSA-N 0 3 254.294 -1.751 20 0 CAADHN O=C(CCCn1ccnn1)NCCN[C@H]1CCNC1=O ZINC001129172355 776246555 /nfs/dbraw/zinc/24/65/55/776246555.db2.gz LWPTXUAXLHUWDQ-JTQLQIEISA-N 0 3 280.332 -1.347 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129256969 776247260 /nfs/dbraw/zinc/24/72/60/776247260.db2.gz WLTZNZGOCVHNKC-SECBINFHSA-N 0 3 270.333 -1.646 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@@H]2CCC(=O)NC2)C1=O ZINC001129254845 776247290 /nfs/dbraw/zinc/24/72/90/776247290.db2.gz BTDLYLXFTXFQFH-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129255135 776247406 /nfs/dbraw/zinc/24/74/06/776247406.db2.gz GEYLTZDYJFWRFX-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1ccnc2ccnn21 ZINC001129243720 776247656 /nfs/dbraw/zinc/24/76/56/776247656.db2.gz JLTOIXUFSXWJAA-SECBINFHSA-N 0 3 288.311 -1.063 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCC(=O)NC1 ZINC001129255138 776247879 /nfs/dbraw/zinc/24/78/79/776247879.db2.gz GEYLTZDYJFWRFX-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001129254886 776248190 /nfs/dbraw/zinc/24/81/90/776248190.db2.gz CWZXGNIRWMSOFB-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCC(=O)NC1)C(N)=O ZINC001129254629 776248315 /nfs/dbraw/zinc/24/83/15/776248315.db2.gz BLNPPIXTQFTKFO-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@H]2CCC(=O)NC2)C1=O ZINC001129254843 776248348 /nfs/dbraw/zinc/24/83/48/776248348.db2.gz BTDLYLXFTXFQFH-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(C[C@@H]1CCC(=O)NC1)NCCN[C@H]1CCCNC1=O ZINC001129256421 776248443 /nfs/dbraw/zinc/24/84/43/776248443.db2.gz QEXZDSKZLLNBEP-QWRGUYRKSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCC(=O)NC1)C(N)=O ZINC001129254628 776248461 /nfs/dbraw/zinc/24/84/61/776248461.db2.gz BLNPPIXTQFTKFO-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN CCCCN1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001083869085 776249915 /nfs/dbraw/zinc/24/99/15/776249915.db2.gz NCQKWRAVFXLZOE-ZJUUUORDSA-N 0 3 298.343 -1.500 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)NC1 ZINC001129262376 776250135 /nfs/dbraw/zinc/25/01/35/776250135.db2.gz OYOAHMJKJUYYFW-JTQLQIEISA-N 0 3 284.360 -1.255 20 0 CAADHN CN(C)C(=O)CN1CC[C@H]2CN(C(=O)CC(N)=O)CC[C@H]21 ZINC001036673294 776253606 /nfs/dbraw/zinc/25/36/06/776253606.db2.gz NSACRQKFYLFACT-WDEREUQCSA-N 0 3 296.371 -1.127 20 0 CAADHN CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)CC(N)=O)CC[C@H]21 ZINC001036673291 776253699 /nfs/dbraw/zinc/25/36/99/776253699.db2.gz NSACRQKFYLFACT-GHMZBOCLSA-N 0 3 296.371 -1.127 20 0 CAADHN CCn1nnc(C)c1C(=O)NCCNCC(=O)NC(N)=O ZINC001129275097 776254539 /nfs/dbraw/zinc/25/45/39/776254539.db2.gz OVDRIVJEZGZSMA-UHFFFAOYSA-N 0 3 297.319 -1.879 20 0 CAADHN Cn1ccc(CC(=O)N[C@H]2CCN(CCCO)C[C@H]2O)n1 ZINC001090263826 776256207 /nfs/dbraw/zinc/25/62/07/776256207.db2.gz XYLZKIJNQMOFFW-QWHCGFSZSA-N 0 3 296.371 -1.104 20 0 CAADHN O=C(N[C@@H]1CN(CCn2cccn2)C[C@@H]1O)c1ncn[nH]1 ZINC001083873825 776256654 /nfs/dbraw/zinc/25/66/54/776256654.db2.gz RUECNDLQMOSJCF-ZJUUUORDSA-N 0 3 291.315 -1.524 20 0 CAADHN O=C(N[C@@H]1CN(CCn2cccn2)C[C@@H]1O)c1nc[nH]n1 ZINC001083873825 776256660 /nfs/dbraw/zinc/25/66/60/776256660.db2.gz RUECNDLQMOSJCF-ZJUUUORDSA-N 0 3 291.315 -1.524 20 0 CAADHN Cn1cncc1CN1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083873018 776256766 /nfs/dbraw/zinc/25/67/66/776256766.db2.gz JCSGTMYLFIEQNN-ZJUUUORDSA-N 0 3 291.315 -1.487 20 0 CAADHN COC[C@@H](C)N1C[C@@H](NC(=O)c2nnc[nH]2)[C@@H](O)C1 ZINC001083874190 776257383 /nfs/dbraw/zinc/25/73/83/776257383.db2.gz JYRPLUAHKVBWDZ-HLTSFMKQSA-N 0 3 269.305 -1.386 20 0 CAADHN COC[C@@H](C)N1C[C@@H](NC(=O)c2ncn[nH]2)[C@@H](O)C1 ZINC001083874190 776257390 /nfs/dbraw/zinc/25/73/90/776257390.db2.gz JYRPLUAHKVBWDZ-HLTSFMKQSA-N 0 3 269.305 -1.386 20 0 CAADHN COCCNCC(=O)NCC1N=NC(=S)N1C ZINC001118131077 776258378 /nfs/dbraw/zinc/25/83/78/776258378.db2.gz QCLVRVJLMSQKFY-UHFFFAOYSA-N 0 3 259.335 -1.044 20 0 CAADHN COCCN1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268748 776259003 /nfs/dbraw/zinc/25/90/03/776259003.db2.gz ONLHXOBTEUNOJG-ZJUUUORDSA-N 0 3 284.320 -2.129 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001090268347 776260108 /nfs/dbraw/zinc/26/01/08/776260108.db2.gz JTPNDQUNBLXOIA-IUCAKERBSA-N 0 3 254.294 -1.756 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090270581 776263464 /nfs/dbraw/zinc/26/34/64/776263464.db2.gz XZICYPKKNXMFKY-NXEZZACHSA-N 0 3 284.320 -2.393 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@@H](O)C1 ZINC001090274977 776264560 /nfs/dbraw/zinc/26/45/60/776264560.db2.gz JUCXHKDQHCJRQH-IUCAKERBSA-N 0 3 296.331 -2.052 20 0 CAADHN CCN1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)[C@H](O)C1 ZINC001090274973 776264699 /nfs/dbraw/zinc/26/46/99/776264699.db2.gz JUCXHKDQHCJRQH-DTWKUNHWSA-N 0 3 296.331 -2.052 20 0 CAADHN NC(=O)CNC1(CNC(=O)c2cnon2)CCC1 ZINC001273173450 776266294 /nfs/dbraw/zinc/26/62/94/776266294.db2.gz QAFITQYZPGDSTP-UHFFFAOYSA-N 0 3 253.262 -1.203 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C[C@H]1CCNC1=O ZINC001129290568 776270185 /nfs/dbraw/zinc/27/01/85/776270185.db2.gz BMTRRWDVJIBSOL-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C[C@@H]1CCNC1=O ZINC001129290567 776270200 /nfs/dbraw/zinc/27/02/00/776270200.db2.gz BMTRRWDVJIBSOL-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H]1CCNC1=O ZINC001129291303 776270084 /nfs/dbraw/zinc/27/00/84/776270084.db2.gz SXIUATXXEONIGX-QMMMGPOBSA-N 0 3 256.306 -2.036 20 0 CAADHN CCn1nnc(C)c1C(=O)NCCNCC(N)=O ZINC001129291023 776270294 /nfs/dbraw/zinc/27/02/94/776270294.db2.gz NUENOPRPJFVSJO-UHFFFAOYSA-N 0 3 254.294 -1.589 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NCCNCC(=O)N1CCC1 ZINC001129290825 776271143 /nfs/dbraw/zinc/27/11/43/776271143.db2.gz FOHBTGOZOKVKNV-JTQLQIEISA-N 0 3 282.344 -1.549 20 0 CAADHN CN(C(=O)CNCCNC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC001129296626 776272623 /nfs/dbraw/zinc/27/26/23/776272623.db2.gz CQVTVXGMTFDANJ-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(C[C@H]1CCNC1=O)NCCN[C@H]1CCCNC1=O ZINC001129296485 776273983 /nfs/dbraw/zinc/27/39/83/776273983.db2.gz ASKZYWHENHTVGB-ZJUUUORDSA-N 0 3 282.344 -1.503 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C[C@H]1CCNC1=O ZINC001129297030 776274413 /nfs/dbraw/zinc/27/44/13/776274413.db2.gz JFGALGAVGUOYMZ-SNVBAGLBSA-N 0 3 284.360 -1.255 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CCNC1=O ZINC001129296699 776274446 /nfs/dbraw/zinc/27/44/46/776274446.db2.gz DNQXFODRMWUURA-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN O=C(CNCCNC(=O)C[C@H]1CCNC1=O)NC1CC1 ZINC001129296811 776274465 /nfs/dbraw/zinc/27/44/65/776274465.db2.gz GYVSKUOLUAESRK-SECBINFHSA-N 0 3 282.344 -1.503 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)C[C@@H]1CCNC1=O ZINC001129297464 776274625 /nfs/dbraw/zinc/27/46/25/776274625.db2.gz MIJNKNVZXXPWFF-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCNC1=O)C(N)=O ZINC001129296732 776274656 /nfs/dbraw/zinc/27/46/56/776274656.db2.gz FMTHHVSWYFBEFN-HTQZYQBOSA-N 0 3 256.306 -1.908 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@@H]1CCNC1=O ZINC001129297832 776274687 /nfs/dbraw/zinc/27/46/87/776274687.db2.gz PCMHBYFPASFOIA-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)C[C@@H]2CCNC2=O)C1=O ZINC001129296651 776274763 /nfs/dbraw/zinc/27/47/63/776274763.db2.gz CZVBAWPPLMQWQK-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NCCN[C@H]1CCCNC1=O ZINC001129296483 776274772 /nfs/dbraw/zinc/27/47/72/776274772.db2.gz ASKZYWHENHTVGB-UWVGGRQHSA-N 0 3 282.344 -1.503 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)C[C@@H]2CCNC2=O)C1=O ZINC001129297849 776274832 /nfs/dbraw/zinc/27/48/32/776274832.db2.gz PFRVLSCLGDLIHI-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCNC1=O ZINC001129296705 776274903 /nfs/dbraw/zinc/27/49/03/776274903.db2.gz DNQXFODRMWUURA-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NCCN[C@H]1CCNC1=O ZINC001129296822 776274952 /nfs/dbraw/zinc/27/49/52/776274952.db2.gz HAIGTYXHFJOWES-IUCAKERBSA-N 0 3 268.317 -1.893 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCNC1=O)C(=O)N(C)C ZINC001129302727 776275767 /nfs/dbraw/zinc/27/57/67/776275767.db2.gz GUKNECBRPLVAMF-UWVGGRQHSA-N 0 3 284.360 -1.305 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)C[C@@H]1CCNC1=O ZINC001129302447 776275886 /nfs/dbraw/zinc/27/58/86/776275886.db2.gz DLIBRJOTYOWORL-NSHDSACASA-N 0 3 298.387 -1.009 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@@H]1CCNC1=O ZINC001129298532 776275904 /nfs/dbraw/zinc/27/59/04/776275904.db2.gz VTIONVRSYFEOJO-ZETCQYMHSA-N 0 3 285.304 -2.587 20 0 CAADHN CC[C@@H](C(=O)NCC1(NC(=O)C(N)=O)CCC1)N(C)C ZINC001063738149 776277253 /nfs/dbraw/zinc/27/72/53/776277253.db2.gz GYYLNLMRQVMOCZ-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCNC1=O)C(=O)NC1CC1 ZINC001129305914 776277514 /nfs/dbraw/zinc/27/75/14/776277514.db2.gz YTLGRTXYNIACHG-UWVGGRQHSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@H]1CCNC1=O)C(N)=O ZINC001129304031 776277999 /nfs/dbraw/zinc/27/79/99/776277999.db2.gz NEDHUMYBEMSIHI-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@@H]1CCNC1=O)C(N)=O ZINC001129304029 776278160 /nfs/dbraw/zinc/27/81/60/776278160.db2.gz NEDHUMYBEMSIHI-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN CCN(CC)CC(=O)NC1(CNC(=O)C(N)=O)CCC1 ZINC001064290884 776281522 /nfs/dbraw/zinc/28/15/22/776281522.db2.gz KMSGSQNOCBRESL-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN CC(C)N(C)CC(=O)NC1(CNC(=O)C(N)=O)CCC1 ZINC001064295718 776281673 /nfs/dbraw/zinc/28/16/73/776281673.db2.gz WUOHWPGERVXLQG-UHFFFAOYSA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(Cn1nccn1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090296742 776285119 /nfs/dbraw/zinc/28/51/19/776285119.db2.gz CAHDBONQFLVHHR-QWRGUYRKSA-N 0 3 283.332 -1.788 20 0 CAADHN O=C(Cn1nccn1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090296739 776285555 /nfs/dbraw/zinc/28/55/55/776285555.db2.gz CAHDBONQFLVHHR-GHMZBOCLSA-N 0 3 283.332 -1.788 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCOCC2=O)[C@H](O)C1 ZINC001090328228 776293054 /nfs/dbraw/zinc/29/30/54/776293054.db2.gz YMKROXLZAZZAGU-WDEREUQCSA-N 0 3 285.344 -1.584 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cc(=O)n(C)cn2)[C@H](O)C1 ZINC001090337268 776294036 /nfs/dbraw/zinc/29/40/36/776294036.db2.gz PMOUIGNLQIBTCT-GXSJLCMTSA-N 0 3 280.328 -1.035 20 0 CAADHN O=C(N[C@H]1CC[N@@H+](CCCO)C[C@H]1O)c1cnc[n-]c1=O ZINC001090349322 776295582 /nfs/dbraw/zinc/29/55/82/776295582.db2.gz KSCKZFGHDQOCOF-WDEREUQCSA-N 0 3 296.327 -1.270 20 0 CAADHN O=C(N[C@H]1CC[N@H+](CCCO)C[C@H]1O)c1cnc[n-]c1=O ZINC001090349322 776295588 /nfs/dbraw/zinc/29/55/88/776295588.db2.gz KSCKZFGHDQOCOF-WDEREUQCSA-N 0 3 296.327 -1.270 20 0 CAADHN O=C(N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O)c1cnc[n-]c1=O ZINC001090349321 776296353 /nfs/dbraw/zinc/29/63/53/776296353.db2.gz KSCKZFGHDQOCOF-QWRGUYRKSA-N 0 3 296.327 -1.270 20 0 CAADHN O=C(N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cnc[n-]c1=O ZINC001090349321 776296357 /nfs/dbraw/zinc/29/63/57/776296357.db2.gz KSCKZFGHDQOCOF-QWRGUYRKSA-N 0 3 296.327 -1.270 20 0 CAADHN O=C(N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O)c1cnc[n-]c1=O ZINC001090349320 776296400 /nfs/dbraw/zinc/29/64/00/776296400.db2.gz KSCKZFGHDQOCOF-MNOVXSKESA-N 0 3 296.327 -1.270 20 0 CAADHN O=C(N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)c1cnc[n-]c1=O ZINC001090349320 776296406 /nfs/dbraw/zinc/29/64/06/776296406.db2.gz KSCKZFGHDQOCOF-MNOVXSKESA-N 0 3 296.327 -1.270 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@H]1O)c1cn[nH]c(=O)c1 ZINC001090342977 776296553 /nfs/dbraw/zinc/29/65/53/776296553.db2.gz TWYPHHOVKSPRJJ-GHMZBOCLSA-N 0 3 296.327 -1.270 20 0 CAADHN O=C(N[C@H]1CCN(CCO)C[C@@H]1O)c1cnc[nH]c1=O ZINC001090348013 776297508 /nfs/dbraw/zinc/29/75/08/776297508.db2.gz ANRQJVPAFJAPTC-UWVGGRQHSA-N 0 3 282.300 -1.661 20 0 CAADHN O=C(N[C@@H]1CCN(CCO)C[C@H]1O)c1cnc[nH]c1=O ZINC001090348012 776298029 /nfs/dbraw/zinc/29/80/29/776298029.db2.gz ANRQJVPAFJAPTC-NXEZZACHSA-N 0 3 282.300 -1.661 20 0 CAADHN NC(=O)CNC1(CNC(=O)CN2C(=O)CNC2=O)CCC1 ZINC001273194177 776298965 /nfs/dbraw/zinc/29/89/65/776298965.db2.gz DKXCDJXCPGBNHV-UHFFFAOYSA-N 0 3 297.315 -2.348 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC001079564525 776307206 /nfs/dbraw/zinc/30/72/06/776307206.db2.gz JZQMLAHSOOUYBI-GMTAPVOTSA-N 0 3 269.345 -1.059 20 0 CAADHN CC(=O)N1CC(C(=O)N[C@@H]2CN(CCO)C[C@H]2C)C1 ZINC001079630812 776308926 /nfs/dbraw/zinc/30/89/26/776308926.db2.gz PEKYGTLACMWRJS-BXKDBHETSA-N 0 3 269.345 -1.107 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1CCOCC1 ZINC001079593862 776309312 /nfs/dbraw/zinc/30/93/12/776309312.db2.gz JFDVFMBNSJURBG-VXGBXAGGSA-N 0 3 271.361 -1.253 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001079602651 776310144 /nfs/dbraw/zinc/31/01/44/776310144.db2.gz WCGORDQSIUKBIC-RKDXNWHRSA-N 0 3 269.305 -1.588 20 0 CAADHN COCCN1CC[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001099703842 776312461 /nfs/dbraw/zinc/31/24/61/776312461.db2.gz CEYZMRDIBBNDQR-NEPJUHHUSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@@H](C(=O)N[C@@H]1CN(CCO)C[C@H]1C)N1C(=O)CCC1=O ZINC001079803030 776313196 /nfs/dbraw/zinc/31/31/96/776313196.db2.gz DNYUQKKRWOILMV-OUAUKWLOSA-N 0 3 297.355 -1.047 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001079799161 776313677 /nfs/dbraw/zinc/31/36/77/776313677.db2.gz WLJHQGPFBSBSKU-OUAUKWLOSA-N 0 3 269.345 -1.107 20 0 CAADHN COCCN1C[C@@H](C)[C@H](NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001079877026 776314284 /nfs/dbraw/zinc/31/42/84/776314284.db2.gz HYFYTENPLZZYGJ-KXUCPTDWSA-N 0 3 298.343 -1.333 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)Cn1nccn1 ZINC001079772959 776315035 /nfs/dbraw/zinc/31/50/35/776315035.db2.gz QGNCEDFMFBSNPS-NXEZZACHSA-N 0 3 253.306 -1.293 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1CCN(C)C(=O)C1 ZINC001079991041 776316469 /nfs/dbraw/zinc/31/64/69/776316469.db2.gz ULUGQOMKTAZLAM-VXGBXAGGSA-N 0 3 298.387 -1.811 20 0 CAADHN CCN(C(=O)[C@@H](C1CC1)N(C)C)C1CN(C(=O)C(N)=O)C1 ZINC001079945902 776316713 /nfs/dbraw/zinc/31/67/13/776316713.db2.gz YTYFOAJHUOCUKJ-LLVKDONJSA-N 0 3 296.371 -1.129 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001079997839 776317165 /nfs/dbraw/zinc/31/71/65/776317165.db2.gz VYCATYVINRBUNN-NXEZZACHSA-N 0 3 283.332 -1.989 20 0 CAADHN CC[C@H](C(=O)N(CC)C1CN(C(=O)C(N)=O)C1)N(C)C ZINC001080018102 776317765 /nfs/dbraw/zinc/31/77/65/776317765.db2.gz HODMBKDQKHJCLF-SNVBAGLBSA-N 0 3 284.360 -1.129 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1cn(C)c(=O)cn1 ZINC001080162662 776318431 /nfs/dbraw/zinc/31/84/31/776318431.db2.gz ZAAJLBSRZVQXTM-NXEZZACHSA-N 0 3 280.328 -1.177 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@]1(C)CNC(=O)C1 ZINC001080184951 776320101 /nfs/dbraw/zinc/32/01/01/776320101.db2.gz ZELXTQZJBNSKMZ-BREBYQMCSA-N 0 3 269.345 -1.059 20 0 CAADHN C[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001080280902 776320846 /nfs/dbraw/zinc/32/08/46/776320846.db2.gz FGVAUPHWMHWQPD-HRDYMLBCSA-N 0 3 268.321 -1.359 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001080262441 776321395 /nfs/dbraw/zinc/32/13/95/776321395.db2.gz BPCKHNODGJMVAQ-KXUCPTDWSA-N 0 3 255.318 -1.449 20 0 CAADHN C[C@@H]1CN(CCCO)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001080277588 776321792 /nfs/dbraw/zinc/32/17/92/776321792.db2.gz WVNRVVVYEIXYHB-RKDXNWHRSA-N 0 3 268.321 -1.357 20 0 CAADHN CNC(=O)CN1C[C@@H](C)[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC001080387045 776322799 /nfs/dbraw/zinc/32/27/99/776322799.db2.gz JLZZUIUBKWUXGS-RKDXNWHRSA-N 0 3 295.343 -1.078 20 0 CAADHN C[C@@H]1CN(CCN2C(=O)CNC2=O)[C@@H](C)CN1CCO ZINC001118499953 776322933 /nfs/dbraw/zinc/32/29/33/776322933.db2.gz AGJKELQYCBIFEH-WDEREUQCSA-N 0 3 284.360 -1.075 20 0 CAADHN C[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1NC(=O)C(N)=O ZINC001080370756 776326139 /nfs/dbraw/zinc/32/61/39/776326139.db2.gz HFAMMYQUKMGMIY-OUAUKWLOSA-N 0 3 295.343 -1.834 20 0 CAADHN CC[C@@H](C(=O)N1CC(N(CC)C(=O)C(N)=O)C1)N(C)C ZINC001080401892 776326818 /nfs/dbraw/zinc/32/68/18/776326818.db2.gz VXQMMPKTLHUTOP-JTQLQIEISA-N 0 3 284.360 -1.129 20 0 CAADHN CCN(CC)CC(=O)N1CC(N(CC)C(=O)C(N)=O)C1 ZINC001080401869 776327455 /nfs/dbraw/zinc/32/74/55/776327455.db2.gz VCIVSSXTLQLRQV-UHFFFAOYSA-N 0 3 284.360 -1.127 20 0 CAADHN CCN(C(=O)C(N)=O)C1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001080403858 776328392 /nfs/dbraw/zinc/32/83/92/776328392.db2.gz ITBZJDNELOPIAO-JTQLQIEISA-N 0 3 296.371 -1.127 20 0 CAADHN CCN(C(=O)C(N)=O)C1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001080403859 776328838 /nfs/dbraw/zinc/32/88/38/776328838.db2.gz ITBZJDNELOPIAO-SNVBAGLBSA-N 0 3 296.371 -1.127 20 0 CAADHN CCN(C(=O)C(N)=O)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001080409610 776329896 /nfs/dbraw/zinc/32/98/96/776329896.db2.gz KIOVMWKIEFLZLO-JTQLQIEISA-N 0 3 282.344 -1.375 20 0 CAADHN C[C@@H]1CN(CCCO)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001080435000 776330019 /nfs/dbraw/zinc/33/00/19/776330019.db2.gz LOHUJDHRSKOXRE-WISYIIOYSA-N 0 3 299.371 -1.162 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC001080434909 776330283 /nfs/dbraw/zinc/33/02/83/776330283.db2.gz IDZKMXIYNVQMLB-BREBYQMCSA-N 0 3 269.345 -1.059 20 0 CAADHN CNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ncn[nH]2)C1 ZINC001080640768 776331225 /nfs/dbraw/zinc/33/12/25/776331225.db2.gz GCHNHZNIPQMTQH-HTQZYQBOSA-N 0 3 266.305 -1.399 20 0 CAADHN C[C@@H]1CN(CC(N)=O)C[C@H]1NC(=O)Cc1cnc[nH]1 ZINC001080519225 776332017 /nfs/dbraw/zinc/33/20/17/776332017.db2.gz CKDKPDBTEBUNFU-PSASIEDQSA-N 0 3 265.317 -1.126 20 0 CAADHN C[C@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001080750754 776335619 /nfs/dbraw/zinc/33/56/19/776335619.db2.gz OFRDQVCHDASEAF-IWSPIJDZSA-N 0 3 280.332 -1.343 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001080812108 776337695 /nfs/dbraw/zinc/33/76/95/776337695.db2.gz OZYDSZXHQUAAIG-KXUCPTDWSA-N 0 3 255.318 -1.306 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CN1C(=O)CN(C)C1=O ZINC001080908007 776338920 /nfs/dbraw/zinc/33/89/20/776338920.db2.gz QLPCANMSGXMTHC-NXEZZACHSA-N 0 3 298.343 -1.691 20 0 CAADHN COCCN1C[C@@H](C)[C@H](NC(=O)CN2C(=O)CNC2=O)C1 ZINC001080906872 776339856 /nfs/dbraw/zinc/33/98/56/776339856.db2.gz PGDFOPJAHMFLBZ-NXEZZACHSA-N 0 3 298.343 -1.379 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)Cn1cncn1 ZINC001080903610 776340372 /nfs/dbraw/zinc/34/03/72/776340372.db2.gz ZQQYMAMSAFKPBU-NXEZZACHSA-N 0 3 253.306 -1.293 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001080960923 776341902 /nfs/dbraw/zinc/34/19/02/776341902.db2.gz MHAXDPHHKRWEKC-OPRDCNLKSA-N 0 3 291.373 -1.893 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001090369191 776343322 /nfs/dbraw/zinc/34/33/22/776343322.db2.gz VWLANUAOVTWZCC-RYUDHWBXSA-N 0 3 298.387 -1.668 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001080966121 776343586 /nfs/dbraw/zinc/34/35/86/776343586.db2.gz LDNGMZUSPSJTNI-RAIGVLPGSA-N 0 3 299.371 -1.338 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCN(C)C(=O)C2)[C@@H](O)C1 ZINC001090369189 776343943 /nfs/dbraw/zinc/34/39/43/776343943.db2.gz VWLANUAOVTWZCC-NEPJUHHUSA-N 0 3 298.387 -1.668 20 0 CAADHN CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)Cn1cnnn1 ZINC001081331402 776358815 /nfs/dbraw/zinc/35/88/15/776358815.db2.gz FPGIJUSXTXBWFC-GHMZBOCLSA-N 0 3 280.332 -1.102 20 0 CAADHN CCCN1C[C@@H](NC(=O)Cn2ncnn2)[C@H](OC)C1 ZINC001081673673 776380355 /nfs/dbraw/zinc/38/03/55/776380355.db2.gz ODCRRUIEERSYGT-NXEZZACHSA-N 0 3 268.321 -1.102 20 0 CAADHN CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)Cn1ncnn1 ZINC001081673738 776381259 /nfs/dbraw/zinc/38/12/59/776381259.db2.gz QNTAMAIOEBEXQW-GHMZBOCLSA-N 0 3 280.332 -1.102 20 0 CAADHN CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001081808111 776396009 /nfs/dbraw/zinc/39/60/09/776396009.db2.gz YUTXSMIUHSLBPD-IVZWLZJFSA-N 0 3 298.343 -1.192 20 0 CAADHN CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001081873018 776396906 /nfs/dbraw/zinc/39/69/06/776396906.db2.gz CCAQUSUAGNEFAA-GHMZBOCLSA-N 0 3 297.359 -1.194 20 0 CAADHN CCCN1C[C@@H](NC(=O)Cn2ncn(C)c2=O)[C@H](OC)C1 ZINC001081873009 776397452 /nfs/dbraw/zinc/39/74/52/776397452.db2.gz BMKWTMWADRIRDG-GHMZBOCLSA-N 0 3 297.359 -1.193 20 0 CAADHN CO[C@@H]1CN(CC2CC2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001082083343 776404502 /nfs/dbraw/zinc/40/45/02/776404502.db2.gz HOGDUSRVYOKSRA-HBNTYKKESA-N 0 3 282.344 -1.107 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H]2CNC(=O)N2)[C@H](OC)C1 ZINC001082085282 776404669 /nfs/dbraw/zinc/40/46/69/776404669.db2.gz XDQSWMBXALDIMQ-OPRDCNLKSA-N 0 3 270.333 -1.107 20 0 CAADHN CO[C@@H]1CN(CC2CCOCC2)C[C@H]1NC(=O)C(N)=O ZINC001082088840 776406224 /nfs/dbraw/zinc/40/62/24/776406224.db2.gz AXHQJGDJNGJFFE-GHMZBOCLSA-N 0 3 285.344 -1.286 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](OC)C1 ZINC001082186250 776407914 /nfs/dbraw/zinc/40/79/14/776407914.db2.gz LPDIWDCTJCMTBI-IVZWLZJFSA-N 0 3 298.343 -1.190 20 0 CAADHN CCC(=O)NCC(=O)N[C@H]1CCN(CCOC)C[C@@H]1O ZINC001099737744 776411603 /nfs/dbraw/zinc/41/16/03/776411603.db2.gz DBAYCRWGBAUQIT-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN CO[C@@H]1CN(C[C@@H](C)O)C[C@H]1NC(=O)Cc1nc[nH]n1 ZINC001082316215 776411720 /nfs/dbraw/zinc/41/17/20/776411720.db2.gz OQQBWTRYORHJJG-OPRDCNLKSA-N 0 3 283.332 -1.457 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@H](OC)C1 ZINC001082360711 776412228 /nfs/dbraw/zinc/41/22/28/776412228.db2.gz PGKOIKNSJRPVGD-NXEZZACHSA-N 0 3 298.343 -1.236 20 0 CAADHN OC[C@H]1CN(c2ncc3c(n2)CCNC3)C[C@@H]1O ZINC001164533728 776414356 /nfs/dbraw/zinc/41/43/56/776414356.db2.gz VVASAWAGZWNXDF-KOLCDFICSA-N 0 3 250.302 -1.088 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C)C(N)=O ZINC001082419780 776414562 /nfs/dbraw/zinc/41/45/62/776414562.db2.gz USDFZMPDACAAMN-GMTAPVOTSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C)C(N)=O ZINC001082418765 776414595 /nfs/dbraw/zinc/41/45/95/776414595.db2.gz VKWWQFNLDREQOB-IWSPIJDZSA-N 0 3 281.320 -2.017 20 0 CAADHN COCCOCC(=O)N[C@H]1CCN(CCOC)C[C@H]1O ZINC001099746235 776415572 /nfs/dbraw/zinc/41/55/72/776415572.db2.gz FLSPBUDWULEILI-NWDGAFQWSA-N 0 3 290.360 -1.153 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1C)C(N)=O ZINC001082496369 776415636 /nfs/dbraw/zinc/41/56/36/776415636.db2.gz TXXCEUCWBOESQT-IWSPIJDZSA-N 0 3 280.332 -1.261 20 0 CAADHN C[C@@H]1CN(C(=O)c2cnnn2C)C[C@H]1N[C@@H]1CCNC1=O ZINC001082496403 776415686 /nfs/dbraw/zinc/41/56/86/776415686.db2.gz WWMPDAROGCYRBD-OPRDCNLKSA-N 0 3 292.343 -1.246 20 0 CAADHN CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C)C1=O ZINC001082454352 776415729 /nfs/dbraw/zinc/41/57/29/776415729.db2.gz QSRICHAOUQSGAK-GMTAPVOTSA-N 0 3 296.371 -1.081 20 0 CAADHN O=C(Cc1nc[nH]n1)N[C@@H]1CN(CCCF)C[C@@H]1O ZINC001083935772 776415865 /nfs/dbraw/zinc/41/58/65/776415865.db2.gz LXIAQZBNFVOMMR-BDAKNGLRSA-N 0 3 271.296 -1.132 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2COC(=O)C2)C[C@H]1NCC(N)=O ZINC001082475376 776416094 /nfs/dbraw/zinc/41/60/94/776416094.db2.gz VJOQIYTVKUGCNU-KXUCPTDWSA-N 0 3 283.328 -1.139 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)C[C@H]1NCC(N)=O ZINC001082458159 776416238 /nfs/dbraw/zinc/41/62/38/776416238.db2.gz AFXYYPSGMJJKBT-MXWKQRLJSA-N 0 3 284.360 -1.761 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CN2CN=NC2=O)C[C@H]1C)C(N)=O ZINC001082483820 776416270 /nfs/dbraw/zinc/41/62/70/776416270.db2.gz MJKHYXCJEJVSRD-IWSPIJDZSA-N 0 3 296.331 -1.706 20 0 CAADHN C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC3)C[C@H]1NCC(N)=O ZINC001082523527 776416706 /nfs/dbraw/zinc/41/67/06/776416706.db2.gz XDMMSNQQXXUKSM-COMAGPEQSA-N 0 3 267.329 -1.055 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1C)C(N)=O ZINC001082489025 776417026 /nfs/dbraw/zinc/41/70/26/776417026.db2.gz DWVAKJUHKHCSNR-GMTAPVOTSA-N 0 3 294.359 -1.022 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001099747407 776417081 /nfs/dbraw/zinc/41/70/81/776417081.db2.gz XGEQHXBLAGRTEB-MNOVXSKESA-N 0 3 287.360 -1.554 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099747406 776417244 /nfs/dbraw/zinc/41/72/44/776417244.db2.gz XGEQHXBLAGRTEB-GHMZBOCLSA-N 0 3 287.360 -1.554 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C)C(N)=O ZINC001082534791 776417257 /nfs/dbraw/zinc/41/72/57/776417257.db2.gz RDINUNXFPXTRSP-OPRDCNLKSA-N 0 3 280.332 -1.412 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082500400 776417271 /nfs/dbraw/zinc/41/72/71/776417271.db2.gz KHPBJIGLEWTZJT-OPRDCNLKSA-N 0 3 292.343 -1.246 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1NCC(N)=O ZINC001082556057 776418277 /nfs/dbraw/zinc/41/82/77/776418277.db2.gz ANBZGDVZDBJUAF-OPRDCNLKSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2CCC(=O)NC2)C[C@H]1NCC(N)=O ZINC001082555197 776418368 /nfs/dbraw/zinc/41/83/68/776418368.db2.gz VXWSUIRJBNKCGP-OUAUKWLOSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1NCC(N)=O ZINC001082569983 776418381 /nfs/dbraw/zinc/41/83/81/776418381.db2.gz QNTFKZHWABMGCX-KLBPJQLPSA-N 0 3 285.344 -1.288 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@H]1C)C(N)=O ZINC001082573983 776418436 /nfs/dbraw/zinc/41/84/36/776418436.db2.gz MWEJIXILPRJIQI-HRDYMLBCSA-N 0 3 284.360 -1.192 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)C[C@H]1NCC(N)=O ZINC001082556056 776418495 /nfs/dbraw/zinc/41/84/95/776418495.db2.gz ANBZGDVZDBJUAF-KXUCPTDWSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1NCC(N)=O ZINC001082611618 776418504 /nfs/dbraw/zinc/41/85/04/776418504.db2.gz PGOXJGKFPGTIEW-OPRDCNLKSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@H]1NCC(N)=O ZINC001082599743 776418550 /nfs/dbraw/zinc/41/85/50/776418550.db2.gz ICOBGXYWHDHGPM-OUAUKWLOSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)NC2)C[C@H]1NCC(N)=O ZINC001082555196 776418576 /nfs/dbraw/zinc/41/85/76/776418576.db2.gz VXWSUIRJBNKCGP-GMTAPVOTSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001082597910 776418823 /nfs/dbraw/zinc/41/88/23/776418823.db2.gz SHJLWPMKLHIUIN-HRDYMLBCSA-N 0 3 291.373 -1.659 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001082608418 776418905 /nfs/dbraw/zinc/41/89/05/776418905.db2.gz WBILXXZBGZWCDY-UTUOFQBUSA-N 0 3 298.387 -1.371 20 0 CAADHN C[C@H](C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001082597911 776419115 /nfs/dbraw/zinc/41/91/15/776419115.db2.gz SHJLWPMKLHIUIN-IWSPIJDZSA-N 0 3 291.373 -1.659 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2CCN(C)C2=O)C[C@H]1NCC(N)=O ZINC001082581214 776419146 /nfs/dbraw/zinc/41/91/46/776419146.db2.gz BLYFPLKTKXXWFF-OUAUKWLOSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1NCC(N)=O ZINC001082576582 776419205 /nfs/dbraw/zinc/41/92/05/776419205.db2.gz NHSYQWUUUWJPAE-KXUCPTDWSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1NCC(N)=O ZINC001082660156 776419645 /nfs/dbraw/zinc/41/96/45/776419645.db2.gz PREZBTFZTSZQCU-JRKPZEMJSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)CC2)C[C@H]1NCC(N)=O ZINC001082665288 776419820 /nfs/dbraw/zinc/41/98/20/776419820.db2.gz GGRPIICPMCQADW-OUAUKWLOSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C)C(N)=O ZINC001082691289 776420207 /nfs/dbraw/zinc/42/02/07/776420207.db2.gz IRMKTKZBPWRSBY-GJMOJQLCSA-N 0 3 281.320 -1.866 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@H]2CCC(=O)N2C)C[C@H]1NCC(N)=O ZINC001082680445 776420583 /nfs/dbraw/zinc/42/05/83/776420583.db2.gz JFKQYTHVGLCUBC-GMTAPVOTSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001082717091 776421276 /nfs/dbraw/zinc/42/12/76/776421276.db2.gz PMSMZHPYUAVPLK-OPRDCNLKSA-N 0 3 294.355 -1.423 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1N[C@H]1CCCN(C)C1=O ZINC001082716080 776421288 /nfs/dbraw/zinc/42/12/88/776421288.db2.gz IWBVXGPYLCHUSU-KXUCPTDWSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)c2c[nH]c(=O)cn2)C[C@H]1C)C(N)=O ZINC001082711265 776421425 /nfs/dbraw/zinc/42/14/25/776421425.db2.gz ZBTZIPCOUMMLQZ-NQMVMOMDSA-N 0 3 293.327 -1.306 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C[C@H]1NCC(N)=O ZINC001082768819 776421515 /nfs/dbraw/zinc/42/15/15/776421515.db2.gz FTAGQDITSOMUDM-GJMOJQLCSA-N 0 3 297.315 -2.494 20 0 CAADHN CCN1CC[C@H](N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1=O ZINC001082716896 776421526 /nfs/dbraw/zinc/42/15/26/776421526.db2.gz XJIGZSNZQHCKFZ-KXUCPTDWSA-N 0 3 282.344 -1.471 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082716811 776422056 /nfs/dbraw/zinc/42/20/56/776422056.db2.gz QDFFCLLVZBXXFH-HRDYMLBCSA-N 0 3 268.317 -1.861 20 0 CAADHN CC(C)N1CC[C@H](N[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)C1=O ZINC001082716938 776422092 /nfs/dbraw/zinc/42/20/92/776422092.db2.gz ZGMMYJQDJZDSTG-OUAUKWLOSA-N 0 3 296.371 -1.083 20 0 CAADHN C[C@@H]1CN(C(=O)[C@]2(C)CCNC2=O)C[C@H]1NCC(N)=O ZINC001082738219 776422217 /nfs/dbraw/zinc/42/22/17/776422217.db2.gz HAIHACVHDNILTF-JRKPZEMJSA-N 0 3 282.344 -1.566 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](C)C2)C[C@H]1NCC(N)=O ZINC001082850502 776422654 /nfs/dbraw/zinc/42/26/54/776422654.db2.gz XRFKOIAZGXXJHF-HBNTYKKESA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C)C(N)=O ZINC001082816392 776423276 /nfs/dbraw/zinc/42/32/76/776423276.db2.gz WAQPJNFREZPMFA-ZXFLCMHBSA-N 0 3 267.289 -1.007 20 0 CAADHN CCN1CC[C@H](NC(=O)C(=O)NCCN(C)C2CC2)C1=O ZINC001119070208 776423566 /nfs/dbraw/zinc/42/35/66/776423566.db2.gz HVTWNSCRGRZXDI-NSHDSACASA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2)C[C@H]1NCC(N)=O ZINC001082872456 776423664 /nfs/dbraw/zinc/42/36/64/776423664.db2.gz JYDYHUXGOFDVJP-HRDYMLBCSA-N 0 3 268.317 -1.813 20 0 CAADHN C[C@@H](N[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1C)C(N)=O ZINC001082821371 776424013 /nfs/dbraw/zinc/42/40/13/776424013.db2.gz IDHVNNDFDAMBLU-OPRDCNLKSA-N 0 3 295.347 -1.627 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)C1 ZINC001082888454 776424755 /nfs/dbraw/zinc/42/47/55/776424755.db2.gz NQKJGYUQBRGUIO-YUSALJHKSA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCCC(=O)N2C)C[C@H]1NCC(N)=O ZINC001082891723 776424826 /nfs/dbraw/zinc/42/48/26/776424826.db2.gz UFPYOZRDGGXYRC-MXWKQRLJSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1C)C(N)=O ZINC001082905550 776424872 /nfs/dbraw/zinc/42/48/72/776424872.db2.gz KNOXHPDQGKFLAW-KXUCPTDWSA-N 0 3 280.332 -1.412 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCCC(=O)N2C)C[C@H]1NCC(N)=O ZINC001082891722 776425049 /nfs/dbraw/zinc/42/50/49/776425049.db2.gz UFPYOZRDGGXYRC-GMTAPVOTSA-N 0 3 296.371 -1.081 20 0 CAADHN C[C@@H]1CN(C(=O)Cn2cncn2)C[C@H]1N[C@H]1CCNC1=O ZINC001082905066 776425397 /nfs/dbraw/zinc/42/53/97/776425397.db2.gz SFWZZZQFRNXYOH-OUAUKWLOSA-N 0 3 292.343 -1.397 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@H]2CC(=O)NC2=O)C[C@H]1NCC(N)=O ZINC001082963889 776426674 /nfs/dbraw/zinc/42/66/74/776426674.db2.gz DEPCNQBDYYWSFM-IWSPIJDZSA-N 0 3 296.327 -2.039 20 0 CAADHN CCC(=O)N1CCO[C@H](CNCCNS(C)(=O)=O)C1 ZINC001273208506 776427065 /nfs/dbraw/zinc/42/70/65/776427065.db2.gz OKWDEJJSUHFFGQ-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN C[C@@H]1CN(C(=O)C[C@@H]2CC(=O)NC2=O)C[C@H]1NCC(N)=O ZINC001082963888 776427145 /nfs/dbraw/zinc/42/71/45/776427145.db2.gz DEPCNQBDYYWSFM-HRDYMLBCSA-N 0 3 296.327 -2.039 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)N2CCOC3(CNC3)C2)O1 ZINC001119297658 776428012 /nfs/dbraw/zinc/42/80/12/776428012.db2.gz OZCGMUZHXNYBHP-DTWKUNHWSA-N 0 3 269.301 -1.780 20 0 CAADHN COCC[C@H](N)C(=O)N[C@@]1(C(=O)OC)CCOC1 ZINC001119297555 776428629 /nfs/dbraw/zinc/42/86/29/776428629.db2.gz OTFVNOUXUSEYHX-KWQFWETISA-N 0 3 260.290 -1.202 20 0 CAADHN NC(=O)CC(=O)N1CCO[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]21 ZINC001083029882 776429912 /nfs/dbraw/zinc/42/99/12/776429912.db2.gz KTWFCYCKAVFLKN-SDDRHHMPSA-N 0 3 297.355 -1.190 20 0 CAADHN O=C(Cc1nnc[nH]1)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001083936384 776437845 /nfs/dbraw/zinc/43/78/45/776437845.db2.gz LGRLDHWVNVODEO-SFYZADRCSA-N 0 3 255.278 -2.499 20 0 CAADHN O=C(Cc1nc[nH]n1)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001083936501 776438511 /nfs/dbraw/zinc/43/85/11/776438511.db2.gz QISOPPRNTKCWCT-BDAKNGLRSA-N 0 3 269.305 -2.109 20 0 CAADHN COC[C@H](C)N1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001083936365 776438630 /nfs/dbraw/zinc/43/86/30/776438630.db2.gz JSKIDCIUIJLNRC-AEJSXWLSSA-N 0 3 283.332 -1.457 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1O ZINC001083998215 776439133 /nfs/dbraw/zinc/43/91/33/776439133.db2.gz WRWIYRMLVGACGQ-IEBDPFPHSA-N 0 3 295.343 -1.704 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084036138 776440354 /nfs/dbraw/zinc/44/03/54/776440354.db2.gz SBLWOPCVHZZWCH-BDAKNGLRSA-N 0 3 284.316 -1.891 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001084032289 776440692 /nfs/dbraw/zinc/44/06/92/776440692.db2.gz FZFPFYIRCJFMOP-MNOVXSKESA-N 0 3 265.317 -1.151 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001084038508 776440740 /nfs/dbraw/zinc/44/07/40/776440740.db2.gz MTXQRIWDYFNPKL-ZJUUUORDSA-N 0 3 298.343 -1.550 20 0 CAADHN CCCN1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001084033566 776440772 /nfs/dbraw/zinc/44/07/72/776440772.db2.gz YQJMWIBFGJZUPY-ZJUUUORDSA-N 0 3 253.306 -1.151 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@@H](O)C1 ZINC001084038203 776441053 /nfs/dbraw/zinc/44/10/53/776441053.db2.gz ABQXBDJPADRMSL-ZJUUUORDSA-N 0 3 298.343 -1.548 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN2C(=O)CNC2=O)[C@@H](O)C1 ZINC001084036261 776441082 /nfs/dbraw/zinc/44/10/82/776441082.db2.gz ZZHIRWBQMWWYPI-BDAKNGLRSA-N 0 3 284.316 -1.892 20 0 CAADHN CCCN1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001084039767 776442405 /nfs/dbraw/zinc/44/24/05/776442405.db2.gz KHCPVAQFLGMSCO-ZJUUUORDSA-N 0 3 283.328 -1.293 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001084039790 776442760 /nfs/dbraw/zinc/44/27/60/776442760.db2.gz LPBINXZJIYRJRZ-ZJUUUORDSA-N 0 3 283.328 -1.295 20 0 CAADHN C[C@@H](O)CN1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001084057281 776445096 /nfs/dbraw/zinc/44/50/96/776445096.db2.gz DBFIHQZSXICCKI-UTUOFQBUSA-N 0 3 271.361 -1.376 20 0 CAADHN CN1C[C@H]2C[C@@H](C1)N(C(=O)CNC(=O)[C@@H]1CCC(=O)N1)C2 ZINC001273213820 776445282 /nfs/dbraw/zinc/44/52/82/776445282.db2.gz KMQYOVCOCHOIHE-VWYCJHECSA-N 0 3 294.355 -1.456 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068749 776445389 /nfs/dbraw/zinc/44/53/89/776445389.db2.gz GMFWSNGSTKXFPS-BBBLOLIVSA-N 0 3 291.373 -1.752 20 0 CAADHN C[C@H](O)CN1C[C@@H](NC(=O)CN2CCCC2)[C@@H](O)C1 ZINC001084057280 776446031 /nfs/dbraw/zinc/44/60/31/776446031.db2.gz DBFIHQZSXICCKI-TUAOUCFPSA-N 0 3 271.361 -1.376 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)[C@@H](O)C1 ZINC001084068748 776446227 /nfs/dbraw/zinc/44/62/27/776446227.db2.gz GMFWSNGSTKXFPS-AEJSXWLSSA-N 0 3 291.373 -1.752 20 0 CAADHN C[C@@H](O)CN1CC[C@@H]2CN(C(=O)CC(N)=O)[C@@H]2C1 ZINC001084244248 776450067 /nfs/dbraw/zinc/45/00/67/776450067.db2.gz HGJVGWRZRJQBRL-OPRDCNLKSA-N 0 3 255.318 -1.225 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001084129763 776450391 /nfs/dbraw/zinc/45/03/91/776450391.db2.gz YWCZZJNDFQKGAG-AXFHLTTASA-N 0 3 295.339 -1.390 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)[C@@H](O)C1 ZINC001084129092 776450775 /nfs/dbraw/zinc/45/07/75/776450775.db2.gz GILSOHCLASYHIN-BBBLOLIVSA-N 0 3 283.328 -1.391 20 0 CAADHN O=C(Cn1ncnn1)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084347682 776451507 /nfs/dbraw/zinc/45/15/07/776451507.db2.gz BIKJCTIYWZCEEM-GHMZBOCLSA-N 0 3 280.332 -1.412 20 0 CAADHN O=C(CN1CN=NC1=O)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084294564 776451764 /nfs/dbraw/zinc/45/17/64/776451764.db2.gz WMPSDNJFXSTHHI-GHMZBOCLSA-N 0 3 295.343 -1.101 20 0 CAADHN C[C@@H](O)CN1CC[C@@H]2CN(C(=O)Cn3ncnn3)[C@@H]2C1 ZINC001084348139 776451772 /nfs/dbraw/zinc/45/17/72/776451772.db2.gz SAUGJJLURSORNR-GMTAPVOTSA-N 0 3 280.332 -1.413 20 0 CAADHN C[C@H](O)CN1CC[C@@H]2CN(C(=O)CN3CN=NC3=O)[C@@H]2C1 ZINC001084294561 776452389 /nfs/dbraw/zinc/45/23/89/776452389.db2.gz WLTUZIVTTHAYDX-HBNTYKKESA-N 0 3 295.343 -1.103 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1C[C@H]2CCN(CCO)C[C@H]21 ZINC001084418508 776454055 /nfs/dbraw/zinc/45/40/55/776454055.db2.gz CDQYDXTUMPUEKY-KXUCPTDWSA-N 0 3 296.327 -1.891 20 0 CAADHN CCN1CC[C@@H]2CN(C(=O)Cn3cnc(C(N)=O)n3)[C@@H]2C1 ZINC001084356773 776454167 /nfs/dbraw/zinc/45/41/67/776454167.db2.gz ZQYOPQMDZXQKEY-NXEZZACHSA-N 0 3 292.343 -1.070 20 0 CAADHN NC(=O)[C@@H]1CN(c2cc3c(nn2)CCNC3)CCN1 ZINC001166725292 776454187 /nfs/dbraw/zinc/45/41/87/776454187.db2.gz JUJVFDQVICFZQU-JTQLQIEISA-N 0 3 262.317 -1.614 20 0 CAADHN O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CCN(CCCO)C[C@H]21 ZINC001084620144 776455529 /nfs/dbraw/zinc/45/55/29/776455529.db2.gz BGYQUHHHEWNJEQ-OUAUKWLOSA-N 0 3 282.344 -1.417 20 0 CAADHN Cn1nncc1CNCC1(CCNC(=O)C(N)=O)CC1 ZINC001166923340 776459135 /nfs/dbraw/zinc/45/91/35/776459135.db2.gz HOGORFIHICVWDQ-UHFFFAOYSA-N 0 3 280.332 -1.324 20 0 CAADHN CS(=O)(=O)N(c1cncc(C(N)=O)n1)C1CNC1 ZINC001166968016 776459761 /nfs/dbraw/zinc/45/97/61/776459761.db2.gz GOZFGAIEYGKPBX-UHFFFAOYSA-N 0 3 271.302 -1.687 20 0 CAADHN CNC(=O)CN1CC[C@@H]2CN(C(=O)Cc3ncn[nH]3)[C@@H]2C1 ZINC001084763453 776460226 /nfs/dbraw/zinc/46/02/26/776460226.db2.gz NNQISBZFUMCAPK-NXEZZACHSA-N 0 3 292.343 -1.374 20 0 CAADHN Cn1cc([C@@H](O)CNS(=O)(=O)C2CNC2)cn1 ZINC001119617590 776461521 /nfs/dbraw/zinc/46/15/21/776461521.db2.gz RKILYQAFBBFORV-VIFPVBQESA-N 0 3 260.319 -1.655 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)Cn2ncnn2)[C@@H](O)C1 ZINC001099839125 776462335 /nfs/dbraw/zinc/46/23/35/776462335.db2.gz YHGRSCPOUFOHPS-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN NC(=O)CC(=O)N1CCO[C@@H](CNCC(=O)N2CCC2)C1 ZINC001273236849 776462571 /nfs/dbraw/zinc/46/25/71/776462571.db2.gz MSBKNFMVEXBRIA-JTQLQIEISA-N 0 3 298.343 -2.089 20 0 CAADHN CN1CCN(C)CCN(C(=O)C[C@@H]2NC(=O)NC2=O)CC1 ZINC001119917028 776464234 /nfs/dbraw/zinc/46/42/34/776464234.db2.gz NDHBGLPOANGFIR-JTQLQIEISA-N 0 3 297.359 -1.710 20 0 CAADHN CCN1CC[C@@H](NC(=O)CNS(=O)(=O)CC)[C@H](O)C1 ZINC001099861428 776464262 /nfs/dbraw/zinc/46/42/62/776464262.db2.gz SKNAMAHCPFHTCU-NXEZZACHSA-N 0 3 293.389 -1.503 20 0 CAADHN CCN1CC[C@H](NC(=O)CNS(=O)(=O)CC)[C@H](O)C1 ZINC001099861430 776464314 /nfs/dbraw/zinc/46/43/14/776464314.db2.gz SKNAMAHCPFHTCU-VHSXEESVSA-N 0 3 293.389 -1.503 20 0 CAADHN CCN1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@H](O)C1 ZINC001099860634 776464531 /nfs/dbraw/zinc/46/45/31/776464531.db2.gz FPBCUTXEGDTZPW-VHSXEESVSA-N 0 3 293.389 -1.503 20 0 CAADHN CCN1CC[C@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C1 ZINC001099860633 776464613 /nfs/dbraw/zinc/46/46/13/776464613.db2.gz FPBCUTXEGDTZPW-UWVGGRQHSA-N 0 3 293.389 -1.503 20 0 CAADHN CCN1CC[C@H](NC(=O)CN(C)C(=O)COC)[C@H](O)C1 ZINC001099863783 776465367 /nfs/dbraw/zinc/46/53/67/776465367.db2.gz OCPAOIDHMKEXPQ-WDEREUQCSA-N 0 3 287.360 -1.338 20 0 CAADHN COCC(=O)NCCCN(C)[C@@H]1CCC(=O)NC1=O ZINC001230944757 776465695 /nfs/dbraw/zinc/46/56/95/776465695.db2.gz PKGQDGIEBMXXJP-SECBINFHSA-N 0 3 271.317 -1.124 20 0 CAADHN CCN1CC[C@@H](NC(=O)CCNC(=O)COC)[C@H](O)C1 ZINC001099864145 776465720 /nfs/dbraw/zinc/46/57/20/776465720.db2.gz PRPAPPVUZYOGLG-GHMZBOCLSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H](O)CN1CC[C@@H]2CCN(C(=O)C(N)=O)C[C@@H]21 ZINC001085021435 776466018 /nfs/dbraw/zinc/46/60/18/776466018.db2.gz VTTMNMGZKBDXCY-AEJSXWLSSA-N 0 3 255.318 -1.225 20 0 CAADHN CCN(CCNCC(=O)NC(C)C)C(=O)Cn1cnnn1 ZINC001273262294 776467397 /nfs/dbraw/zinc/46/73/97/776467397.db2.gz URWRJTTVOLHLOI-UHFFFAOYSA-N 0 3 297.363 -1.364 20 0 CAADHN CON(C)C(=O)CNC[C@@H](O)C[C@]1(O)CCOC1 ZINC001120273142 776468365 /nfs/dbraw/zinc/46/83/65/776468365.db2.gz MLDNTNGTTKBRKZ-GXSJLCMTSA-N 0 3 262.306 -1.502 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC000823625361 776468424 /nfs/dbraw/zinc/46/84/24/776468424.db2.gz RHDSYNWPPIXNHK-NSHDSACASA-N 0 3 259.350 -1.301 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)CN1CCOCC1 ZINC001085173491 776468586 /nfs/dbraw/zinc/46/85/86/776468586.db2.gz YGGNJWJCXWBQJD-VXGBXAGGSA-N 0 3 298.387 -1.179 20 0 CAADHN CON(C)C(=O)CNC[C@H](O)C[C@@]1(O)CCOC1 ZINC001120273146 776468685 /nfs/dbraw/zinc/46/86/85/776468685.db2.gz MLDNTNGTTKBRKZ-KOLCDFICSA-N 0 3 262.306 -1.502 20 0 CAADHN CN1CCOC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001085175808 776468759 /nfs/dbraw/zinc/46/87/59/776468759.db2.gz CJHUIKOEJGZYCN-UTUOFQBUSA-N 0 3 298.387 -1.181 20 0 CAADHN CN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001085175807 776468866 /nfs/dbraw/zinc/46/88/66/776468866.db2.gz CJHUIKOEJGZYCN-IJLUTSLNSA-N 0 3 298.387 -1.181 20 0 CAADHN CN(CCO)CCN(C)C(=O)[C@@H]1CCN(C)C1=O ZINC000823625298 776469230 /nfs/dbraw/zinc/46/92/30/776469230.db2.gz BDRZWYPUHXPTKB-SNVBAGLBSA-N 0 3 257.334 -1.153 20 0 CAADHN CN1CCC[C@@H](NC(=O)CN2CCNC(=O)C2)C1 ZINC000823770582 776469269 /nfs/dbraw/zinc/46/92/69/776469269.db2.gz AMPITOFYJZPDMO-SNVBAGLBSA-N 0 3 254.334 -1.371 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)c1nccnc1N ZINC001273305251 776477288 /nfs/dbraw/zinc/47/72/88/776477288.db2.gz GXFMXICRKGZMQN-UHFFFAOYSA-N 0 3 266.305 -1.404 20 0 CAADHN CCN(CCN[C@H](C)C(=O)NC)C(=O)CC(N)=O ZINC001273305729 776477761 /nfs/dbraw/zinc/47/77/61/776477761.db2.gz UKEQCWRJWRBWRD-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN CC[C@H](N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O)C(N)=O ZINC001085317622 776480197 /nfs/dbraw/zinc/48/01/97/776480197.db2.gz HZPNKXKFBXSQNG-DJLDLDEBSA-N 0 3 270.333 -1.247 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001085296435 776480654 /nfs/dbraw/zinc/48/06/54/776480654.db2.gz CLLWPBZTYBQKQO-IVZWLZJFSA-N 0 3 282.344 -1.375 20 0 CAADHN O=C(CNS(=O)(=O)N1CCNCC1)NC1CCCC1 ZINC000923599806 776481119 /nfs/dbraw/zinc/48/11/19/776481119.db2.gz JHFRVDWYTFDPTK-UHFFFAOYSA-N 0 3 290.389 -1.215 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001085399049 776481655 /nfs/dbraw/zinc/48/16/55/776481655.db2.gz NJBVMOYJTVIXPS-BBBLOLIVSA-N 0 3 282.344 -1.233 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2CCCC[C@H]2NCC(N)=O)n1 ZINC001085362917 776481678 /nfs/dbraw/zinc/48/16/78/776481678.db2.gz CADMIMOGQMVEMC-RKDXNWHRSA-N 0 3 280.332 -1.069 20 0 CAADHN CC(C)OCCCN1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099974080 776481851 /nfs/dbraw/zinc/48/18/51/776481851.db2.gz MXXDTHAKOKRHCW-WDEREUQCSA-N 0 3 287.360 -1.162 20 0 CAADHN CC(C)OCCCN1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099974077 776481928 /nfs/dbraw/zinc/48/19/28/776481928.db2.gz MXXDTHAKOKRHCW-GHMZBOCLSA-N 0 3 287.360 -1.162 20 0 CAADHN NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001085335019 776481944 /nfs/dbraw/zinc/48/19/44/776481944.db2.gz WLARJHOAOBRZLK-UTINFBMNSA-N 0 3 282.344 -1.390 20 0 CAADHN CC(=O)N(C)CC(=O)NCCCNCc1cnnn1C ZINC001154820056 776482106 /nfs/dbraw/zinc/48/21/06/776482106.db2.gz WNRANSHOBUZMFE-UHFFFAOYSA-N 0 3 282.348 -1.111 20 0 CAADHN NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1nnc[n-]1 ZINC001085388533 776482413 /nfs/dbraw/zinc/48/24/13/776482413.db2.gz PGGRXWDIZUWOMM-RKDXNWHRSA-N 0 3 280.332 -1.151 20 0 CAADHN CNC(=O)C1(C(=O)N2CCO[C@H](CNCC(N)=O)C2)CC1 ZINC001273333227 776483307 /nfs/dbraw/zinc/48/33/07/776483307.db2.gz VPYOXUQJTSXDAJ-SECBINFHSA-N 0 3 298.343 -2.185 20 0 CAADHN O=C(CNC(=O)[C@H]1CCNC1=O)NCCN1CCCCC1 ZINC000827838714 776484863 /nfs/dbraw/zinc/48/48/63/776484863.db2.gz DTGMMOZHLQLRAM-NSHDSACASA-N 0 3 296.371 -1.159 20 0 CAADHN CCN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980857 776485096 /nfs/dbraw/zinc/48/50/96/776485096.db2.gz KDOIFAWGXCBENX-RKDXNWHRSA-N 0 3 255.318 -1.177 20 0 CAADHN CCN1CC[C@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099980851 776485295 /nfs/dbraw/zinc/48/52/95/776485295.db2.gz KDOIFAWGXCBENX-DTWKUNHWSA-N 0 3 255.318 -1.177 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001099981969 776485512 /nfs/dbraw/zinc/48/55/12/776485512.db2.gz WFAYWDOEFRIQDW-MNOVXSKESA-N 0 3 299.371 -1.160 20 0 CAADHN O=C(CNC(=O)[C@@H]1CCNC1=O)NCCN1CCCCC1 ZINC000827838710 776485752 /nfs/dbraw/zinc/48/57/52/776485752.db2.gz DTGMMOZHLQLRAM-LLVKDONJSA-N 0 3 296.371 -1.159 20 0 CAADHN CCOCCN1CC[C@@H](NC(=O)C2(C(N)=O)CC2)[C@H](O)C1 ZINC001099981968 776485771 /nfs/dbraw/zinc/48/57/71/776485771.db2.gz WFAYWDOEFRIQDW-GHMZBOCLSA-N 0 3 299.371 -1.160 20 0 CAADHN C[C@H](O)[C@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000828578017 776488493 /nfs/dbraw/zinc/48/84/93/776488493.db2.gz WAWPAZHFFMLJBR-RWMBFGLXSA-N 0 3 285.388 -1.034 20 0 CAADHN CN(C)CCn1nccc1C(=O)N[C@@H]1COC[C@H]1O ZINC000828868437 776490088 /nfs/dbraw/zinc/49/00/88/776490088.db2.gz ZMRJMKWVVRNHJD-MWLCHTKSSA-N 0 3 268.317 -1.066 20 0 CAADHN CCNC(=O)CNCCN(CC)C(=O)[C@H](C)NC(N)=O ZINC001273348344 776490106 /nfs/dbraw/zinc/49/01/06/776490106.db2.gz PXXIBEGJPALPGK-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN COCCN1CC[C@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016430485 776491391 /nfs/dbraw/zinc/49/13/91/776491391.db2.gz OEJFBWAPPPGVGE-UWVGGRQHSA-N 0 3 283.328 -1.124 20 0 CAADHN Cc1ncc(CC(=O)NCCN[C@H](C)C(=O)NC(N)=O)o1 ZINC001129321507 776491442 /nfs/dbraw/zinc/49/14/42/776491442.db2.gz KFBCDPNULGKWPE-SSDOTTSWSA-N 0 3 297.315 -1.185 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCO[C@H](CNCCF)C1 ZINC001273358352 776491463 /nfs/dbraw/zinc/49/14/63/776491463.db2.gz CMEREDDJXWWGQK-SECBINFHSA-N 0 3 297.352 -1.678 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001016430486 776491590 /nfs/dbraw/zinc/49/15/90/776491590.db2.gz OEJFBWAPPPGVGE-VHSXEESVSA-N 0 3 283.328 -1.124 20 0 CAADHN CCN(CCNCC(=O)NC(N)=O)C(=O)c1ncc[nH]1 ZINC001273368451 776495576 /nfs/dbraw/zinc/49/55/76/776495576.db2.gz WPGIFCHCRUQEPK-UHFFFAOYSA-N 0 3 282.304 -1.344 20 0 CAADHN CC(C)(C)C(=O)NCCNS(=O)(=O)N1CCNCC1 ZINC000923601268 776495601 /nfs/dbraw/zinc/49/56/01/776495601.db2.gz NGHAFLVIAZIDOE-UHFFFAOYSA-N 0 3 292.405 -1.112 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@]12C[C@H]1COC2 ZINC001273390027 776497072 /nfs/dbraw/zinc/49/70/72/776497072.db2.gz VJEJICKUWWORNT-CABZTGNLSA-N 0 3 255.318 -1.054 20 0 CAADHN Cn1cncc1C(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090403299 776498681 /nfs/dbraw/zinc/49/86/81/776498681.db2.gz LBUPHOPPIFBIST-PWSUYJOCSA-N 0 3 282.344 -1.033 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)CC1 ZINC001100033854 776501353 /nfs/dbraw/zinc/50/13/53/776501353.db2.gz LXFMLPJZTCXJIY-GHMZBOCLSA-N 0 3 299.371 -1.554 20 0 CAADHN CNC(=O)C1(C(=O)N[C@@H]2CCN(CCOC)C[C@@H]2O)CC1 ZINC001100034075 776501487 /nfs/dbraw/zinc/50/14/87/776501487.db2.gz NTIVLOZAQVWROO-MNOVXSKESA-N 0 3 299.371 -1.290 20 0 CAADHN CNC(=O)C1(C(=O)N[C@H]2CCN(CCOC)C[C@H]2O)CC1 ZINC001100034077 776501577 /nfs/dbraw/zinc/50/15/77/776501577.db2.gz NTIVLOZAQVWROO-WDEREUQCSA-N 0 3 299.371 -1.290 20 0 CAADHN NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC001086117076 776501595 /nfs/dbraw/zinc/50/15/95/776501595.db2.gz WHBAVOQWEXQYRX-OCAPTIKFSA-N 0 3 279.300 -1.235 20 0 CAADHN O=C(N[C@H]1CCN(CCOCCO)C[C@H]1O)c1nnc[nH]1 ZINC001100039038 776502548 /nfs/dbraw/zinc/50/25/48/776502548.db2.gz OGMWRENROPGRAE-VHSXEESVSA-N 0 3 299.331 -2.021 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@H]1CC(=O)N(CC)C1 ZINC001273405292 776502579 /nfs/dbraw/zinc/50/25/79/776502579.db2.gz WMNHPAIMFNNMLS-SNVBAGLBSA-N 0 3 284.360 -1.222 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@H]1CC(=O)N(CC)C1 ZINC001273405291 776502881 /nfs/dbraw/zinc/50/28/81/776502881.db2.gz WMNHPAIMFNNMLS-JTQLQIEISA-N 0 3 284.360 -1.222 20 0 CAADHN Cn1nnnc1CN[C@H]1C[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001086228268 776505072 /nfs/dbraw/zinc/50/50/72/776505072.db2.gz DVXXBLGGPUGNKB-OCAPTIKFSA-N 0 3 291.319 -1.374 20 0 CAADHN Cn1nnnc1CN[C@H]1C[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001086228268 776505082 /nfs/dbraw/zinc/50/50/82/776505082.db2.gz DVXXBLGGPUGNKB-OCAPTIKFSA-N 0 3 291.319 -1.374 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)C[C@H]1CCC(=O)NC1 ZINC001273420793 776506008 /nfs/dbraw/zinc/50/60/08/776506008.db2.gz NMWPWYIEKTZNRC-SNVBAGLBSA-N 0 3 284.360 -1.174 20 0 CAADHN NC(=O)c1ccnc([N-][C@@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155570460 776506390 /nfs/dbraw/zinc/50/63/90/776506390.db2.gz MYZHMWVFFRDKCP-HQJQHLMTSA-N 0 3 262.273 -1.435 20 0 CAADHN NC(=O)CN[C@H]1C[C@H](CNC(=O)C2CS(=O)(=O)C2)C1 ZINC001086376013 776508382 /nfs/dbraw/zinc/50/83/82/776508382.db2.gz PQPABLUEWFCOMI-XWEPSHTISA-N 0 3 289.357 -1.999 20 0 CAADHN CCOCCN1CC[C@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001100101361 776511493 /nfs/dbraw/zinc/51/14/93/776511493.db2.gz LAWMMDZXOUXXJL-RYUDHWBXSA-N 0 3 297.359 -1.134 20 0 CAADHN CCN1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](O)C1 ZINC001100091975 776511519 /nfs/dbraw/zinc/51/15/19/776511519.db2.gz INKCPLGMZHGEJR-NXEZZACHSA-N 0 3 293.389 -1.551 20 0 CAADHN CCN1CC[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001100091978 776511736 /nfs/dbraw/zinc/51/17/36/776511736.db2.gz INKCPLGMZHGEJR-ZJUUUORDSA-N 0 3 293.389 -1.551 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)C(C)(C)C(N)=O ZINC001273433934 776511899 /nfs/dbraw/zinc/51/18/99/776511899.db2.gz IBVLYALEGPNMOS-UHFFFAOYSA-N 0 3 258.322 -1.579 20 0 CAADHN Cc1cc(NC(=O)CNCCCNC(=O)CC(N)=O)on1 ZINC001156005996 776512153 /nfs/dbraw/zinc/51/21/53/776512153.db2.gz FDJFCGHFHVBTLU-UHFFFAOYSA-N 0 3 297.315 -1.107 20 0 CAADHN CCN(CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1ncn[nH]1 ZINC001155904832 776512196 /nfs/dbraw/zinc/51/21/96/776512196.db2.gz BFBPVMWENVRGCQ-SSDOTTSWSA-N 0 3 297.319 -1.560 20 0 CAADHN CCN(CC(=O)NC(N)=O)[C@H](C)CNC(=O)c1nc[nH]n1 ZINC001155904832 776512197 /nfs/dbraw/zinc/51/21/97/776512197.db2.gz BFBPVMWENVRGCQ-SSDOTTSWSA-N 0 3 297.319 -1.560 20 0 CAADHN CS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)CCN)C1 ZINC000381547099 776513161 /nfs/dbraw/zinc/51/31/61/776513161.db2.gz LBEYRCJEJJBLBN-MRVPVSSYSA-N 0 3 270.376 -1.216 20 0 CAADHN Cn1c(=O)cc(CN2CC[C@@H](CO)C2)n(C)c1=O ZINC000051887269 776514256 /nfs/dbraw/zinc/51/42/56/776514256.db2.gz FRGOGHIWJZUENS-SECBINFHSA-N 0 3 253.302 -1.102 20 0 CAADHN C[C@]1(CNC(=O)Cc2nnc[nH]2)CN(CCCO)CCO1 ZINC001108334456 776515188 /nfs/dbraw/zinc/51/51/88/776515188.db2.gz LLDNRZRMAOEPDC-ZDUSSCGKSA-N 0 3 297.359 -1.063 20 0 CAADHN COC(=O)c1cnc(N(C)S(=O)(=O)CCN)nc1 ZINC001156232562 776517258 /nfs/dbraw/zinc/51/72/58/776517258.db2.gz XUKCLNMUYKJSFA-UHFFFAOYSA-N 0 3 274.302 -1.012 20 0 CAADHN COC(=O)c1ccc(N(C)S(=O)(=O)CCN)nn1 ZINC001156231868 776517709 /nfs/dbraw/zinc/51/77/09/776517709.db2.gz PUEPLHPCYNVSHL-UHFFFAOYSA-N 0 3 274.302 -1.012 20 0 CAADHN CC(=O)Nc1nc2[nH]cnc2c(-n2nnnc2CN)n1 ZINC001168917117 776517922 /nfs/dbraw/zinc/51/79/22/776517922.db2.gz DJDDYSPMOUWTOG-UHFFFAOYSA-N 0 3 274.248 -1.254 20 0 CAADHN CN(c1ccc(S(N)(=O)=O)cn1)S(=O)(=O)CCN ZINC001156236129 776518217 /nfs/dbraw/zinc/51/82/17/776518217.db2.gz FWRNWQZSURGGGK-UHFFFAOYSA-N 0 3 294.358 -1.546 20 0 CAADHN Cn1nnnc1CCN1CCC2(CC1)NC(=O)NC2=O ZINC001168932856 776518999 /nfs/dbraw/zinc/51/89/99/776518999.db2.gz MVGRIEKWYIFYKU-UHFFFAOYSA-N 0 3 279.304 -1.573 20 0 CAADHN CN(c1cncc(C(N)=O)n1)S(=O)(=O)CCN ZINC001156237138 776519784 /nfs/dbraw/zinc/51/97/84/776519784.db2.gz YQSMJUASFRAJRA-UHFFFAOYSA-N 0 3 259.291 -1.700 20 0 CAADHN O=C1NC(=O)C2(CCN(CCn3cncn3)CC2)N1 ZINC001168931112 776520019 /nfs/dbraw/zinc/52/00/19/776520019.db2.gz FFNUWTYBVWLDDI-UHFFFAOYSA-N 0 3 264.289 -1.048 20 0 CAADHN COC(=O)c1c[n-]c2nc(N[C@H](CO)C(N)=O)[nH+]cc21 ZINC001169325260 776524304 /nfs/dbraw/zinc/52/43/04/776524304.db2.gz DNLXVWRLFXFMLS-SSDOTTSWSA-N 0 3 279.256 -1.046 20 0 CAADHN CCN(CC)C(=O)C[C@@H](C)NC(CO)(CO)CO ZINC001169437905 776528483 /nfs/dbraw/zinc/52/84/83/776528483.db2.gz RPVXJBVAHQYZIG-SNVBAGLBSA-N 0 3 262.350 -1.061 20 0 CAADHN COC(=O)CNC(=O)[C@H](C)N[C@@H]1CCN(C(C)=O)C1 ZINC001169521675 776531900 /nfs/dbraw/zinc/53/19/00/776531900.db2.gz RWGDXSFUXVOSHT-WCBMZHEXSA-N 0 3 271.317 -1.126 20 0 CAADHN CC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NCC(N)=O)C1 ZINC001169597166 776532692 /nfs/dbraw/zinc/53/26/92/776532692.db2.gz RNWUTQOCLJWNFN-WCBMZHEXSA-N 0 3 270.333 -1.423 20 0 CAADHN CC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)N[C@@H](C)C(N)=O)C1 ZINC001169595549 776532719 /nfs/dbraw/zinc/53/27/19/776532719.db2.gz ZTCMTVRAXVRHDX-ATZCPNFKSA-N 0 3 284.360 -1.035 20 0 CAADHN COC(=O)CNC(=O)CN[C@@H]1CCCN(C(C)=O)C1 ZINC001169586670 776533057 /nfs/dbraw/zinc/53/30/57/776533057.db2.gz IXYPTZHEFGYLTO-SNVBAGLBSA-N 0 3 271.317 -1.124 20 0 CAADHN CC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NCC(N)=O)C1 ZINC001169597190 776533099 /nfs/dbraw/zinc/53/30/99/776533099.db2.gz RNWUTQOCLJWNFN-WPRPVWTQSA-N 0 3 270.333 -1.423 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129347853 776537653 /nfs/dbraw/zinc/53/76/53/776537653.db2.gz TWIXUVCFTKQXBO-UHFFFAOYSA-N 0 3 266.305 -1.653 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1cc(C2CC2)nn1 ZINC001129348049 776537860 /nfs/dbraw/zinc/53/78/60/776537860.db2.gz XCWSKBKKYNMZHB-UHFFFAOYSA-N 0 3 280.332 -1.393 20 0 CAADHN O=C(Cn1cc(C2CC2)nn1)NCCN[C@@H]1CCNC1=O ZINC001129347139 776538081 /nfs/dbraw/zinc/53/80/81/776538081.db2.gz MEWPCPUXCAQNJB-SNVBAGLBSA-N 0 3 292.343 -1.250 20 0 CAADHN O=C(Cn1cc(C2CC2)nn1)NCCN[C@H]1CCNC1=O ZINC001129347138 776538547 /nfs/dbraw/zinc/53/85/47/776538547.db2.gz MEWPCPUXCAQNJB-JTQLQIEISA-N 0 3 292.343 -1.250 20 0 CAADHN NC(=O)C[C@H](N[C@H]1CCCC2(C1)OCCO2)C(N)=O ZINC001169926477 776539159 /nfs/dbraw/zinc/53/91/59/776539159.db2.gz DPTDZXUADHZSIL-IUCAKERBSA-N 0 3 271.317 -1.009 20 0 CAADHN C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(N)=O)C2 ZINC001108916408 776543632 /nfs/dbraw/zinc/54/36/32/776543632.db2.gz IVAFFDMRMHTGRS-IMSYWVGJSA-N 0 3 270.333 -1.243 20 0 CAADHN COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109106352 776546455 /nfs/dbraw/zinc/54/64/55/776546455.db2.gz MJIIVGMPEHBCGS-ZNSHCXBVSA-N 0 3 285.344 -1.409 20 0 CAADHN CCc1c(C(=O)NCCNCC(N)=O)[nH]c(C)c1C(N)=O ZINC001129380579 776546519 /nfs/dbraw/zinc/54/65/19/776546519.db2.gz JTSOCBULNDPOKC-UHFFFAOYSA-N 0 3 295.343 -1.211 20 0 CAADHN C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(N)=O)C2 ZINC001109106469 776547182 /nfs/dbraw/zinc/54/71/82/776547182.db2.gz RWEFXQUBNKYBHP-IMSYWVGJSA-N 0 3 255.318 -1.036 20 0 CAADHN CNC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001109375942 776550000 /nfs/dbraw/zinc/55/00/00/776550000.db2.gz OYKNDRASDVRSGK-UTLUCORTSA-N 0 3 270.333 -1.371 20 0 CAADHN COCC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCO ZINC001109369363 776550778 /nfs/dbraw/zinc/55/07/78/776550778.db2.gz SRNDJIQQUJCOGL-WOPDTQHZSA-N 0 3 299.371 -1.147 20 0 CAADHN NC(=O)CCCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001115348527 776552924 /nfs/dbraw/zinc/55/29/24/776552924.db2.gz TZYVBACLFHCRQN-COMAGPEQSA-N 0 3 294.355 -1.423 20 0 CAADHN Cc1cncn1CC(=O)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001090434381 776554117 /nfs/dbraw/zinc/55/41/17/776554117.db2.gz YDDTWVOZQTXSMH-NEPJUHHUSA-N 0 3 282.344 -1.265 20 0 CAADHN CN1CCN(c2cccc(NC(CO)(CO)CO)n2)CC1 ZINC001157152500 776560037 /nfs/dbraw/zinc/56/00/37/776560037.db2.gz DOOCEKUFWMSKDJ-UHFFFAOYSA-N 0 3 296.371 -1.039 20 0 CAADHN NC(=O)C(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098465630 776584245 /nfs/dbraw/zinc/58/42/45/776584245.db2.gz ZIJSMKORBLQMOB-UHFFFAOYSA-N 0 3 261.297 -1.274 20 0 CAADHN C[C@@H]1NC(=O)[C@H](CCC(=O)N2C[C@@H](F)[C@@H](N)C2)NC1=O ZINC001157538668 776584422 /nfs/dbraw/zinc/58/44/22/776584422.db2.gz QNZHYKJXVUEORS-KZVJFYERSA-N 0 3 286.307 -1.723 20 0 CAADHN CN1C(=O)C[C@@H](C(=O)N2C[C@@H](F)[C@@H](N)C2)NC1=O ZINC001157537082 776584661 /nfs/dbraw/zinc/58/46/61/776584661.db2.gz VLSDWRQCEIQNKZ-VQVTYTSYSA-N 0 3 258.253 -1.566 20 0 CAADHN COCCN1C[C@H](C(=O)N2C[C@@H](F)[C@@H](N)C2)CC1=O ZINC001157535562 776584762 /nfs/dbraw/zinc/58/47/62/776584762.db2.gz CBHBYCDQVUYKLG-BBBLOLIVSA-N 0 3 273.308 -1.011 20 0 CAADHN CS(=O)(=O)N1CC(C(=O)N2C[C@@H](F)[C@@H](N)C2)C1 ZINC001157538846 776584909 /nfs/dbraw/zinc/58/49/09/776584909.db2.gz UHJQMWTYCQYVQV-SFYZADRCSA-N 0 3 265.310 -1.615 20 0 CAADHN NC(=O)NC(=O)CN1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001113384948 776585072 /nfs/dbraw/zinc/58/50/72/776585072.db2.gz SNXGSNGHHSINCF-UHFFFAOYSA-N 0 3 294.315 -1.709 20 0 CAADHN Cn1nnc2c(C(=O)N3C[C@@H](F)[C@@H](N)C3)ncn2c1=O ZINC001157559326 776587958 /nfs/dbraw/zinc/58/79/58/776587958.db2.gz BAGUIUAFLOCKFE-RITPCOANSA-N 0 3 281.251 -2.056 20 0 CAADHN CC(C)N(C)CC(=O)N1CCN(CC(=O)NC(N)=O)CC1 ZINC001113686653 776592196 /nfs/dbraw/zinc/59/21/96/776592196.db2.gz PUDFKUUKFAAQBK-UHFFFAOYSA-N 0 3 299.375 -1.334 20 0 CAADHN COCC(=O)N[C@@H]1[C@H]2CN(CCOCCNC(C)=O)C[C@H]21 ZINC001113767006 776593924 /nfs/dbraw/zinc/59/39/24/776593924.db2.gz NURRBMKYYHYTQK-IMRBUKKESA-N 0 3 299.371 -1.168 20 0 CAADHN COCCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001113770800 776594838 /nfs/dbraw/zinc/59/48/38/776594838.db2.gz VIUITBKMQZWATQ-MPXOCVNLSA-N 0 3 295.339 -1.126 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001113787129 776595691 /nfs/dbraw/zinc/59/56/91/776595691.db2.gz HKDYNENQZMGYBQ-MIZYBKAJSA-N 0 3 280.328 -1.943 20 0 CAADHN CC[C@@H]1C[C@@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CCO1 ZINC001170179774 776596857 /nfs/dbraw/zinc/59/68/57/776596857.db2.gz XPUNKOMDKUOLCX-KFOMTVSFSA-N 0 3 291.344 -1.667 20 0 CAADHN CC[C@@H]1C[C@@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CCO1 ZINC001170179773 776596876 /nfs/dbraw/zinc/59/68/76/776596876.db2.gz XPUNKOMDKUOLCX-JOIDKUIFSA-N 0 3 291.344 -1.667 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001113808981 776597410 /nfs/dbraw/zinc/59/74/10/776597410.db2.gz AEXOTFSDZNSTKB-CPOMMVLXSA-N 0 3 255.318 -1.450 20 0 CAADHN CC[C@@H]1C[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CCO1 ZINC001170179775 776597582 /nfs/dbraw/zinc/59/75/82/776597582.db2.gz XPUNKOMDKUOLCX-KQWRFTCOSA-N 0 3 291.344 -1.667 20 0 CAADHN CCOCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001113823469 776598556 /nfs/dbraw/zinc/59/85/56/776598556.db2.gz WKZGSOFZTLHXTL-KLBPJQLPSA-N 0 3 267.329 -1.042 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001113825719 776598680 /nfs/dbraw/zinc/59/86/80/776598680.db2.gz QOYAASFUJRTCGK-XEZLXBQYSA-N 0 3 299.371 -1.434 20 0 CAADHN CN(C[C@@H]1CNCCO1)C(=O)Cn1cccc(N)c1=O ZINC001157716980 776600439 /nfs/dbraw/zinc/60/04/39/776600439.db2.gz VOJOYNPOCNCSNA-JTQLQIEISA-N 0 3 280.328 -1.123 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCC[C@@H](F)C(=O)C1 ZINC001157730729 776601517 /nfs/dbraw/zinc/60/15/17/776601517.db2.gz RNIYGMZTQOXTEB-ZJUUUORDSA-N 0 3 285.319 -1.154 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCC[C@@H](F)C(=O)C1 ZINC001157730726 776601881 /nfs/dbraw/zinc/60/18/81/776601881.db2.gz RNIYGMZTQOXTEB-NXEZZACHSA-N 0 3 285.319 -1.154 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001113853308 776602041 /nfs/dbraw/zinc/60/20/41/776602041.db2.gz ZJWRNGBAGXZBEQ-JZYVYDRUSA-N 0 3 293.331 -2.007 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001113849864 776603247 /nfs/dbraw/zinc/60/32/47/776603247.db2.gz NOXLEGXNKPJXSJ-PYHGXSLLSA-N 0 3 281.316 -2.410 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001113899079 776604214 /nfs/dbraw/zinc/60/42/14/776604214.db2.gz HGDQYEDDNCWKFH-XZUYRWCXSA-N 0 3 294.355 -1.600 20 0 CAADHN O=C(CCn1cncn1)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001113878622 776604239 /nfs/dbraw/zinc/60/42/39/776604239.db2.gz OMBFFFHBZHIVLZ-IAZYJMLFSA-N 0 3 265.317 -1.293 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001113899548 776605422 /nfs/dbraw/zinc/60/54/22/776605422.db2.gz OTWPBCSCGMNSQF-IMRBUKKESA-N 0 3 299.371 -1.480 20 0 CAADHN COC(=O)NCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001113948521 776606157 /nfs/dbraw/zinc/60/61/57/776606157.db2.gz SZJDUTSAWAWVEN-MBTKJCJQSA-N 0 3 257.290 -1.619 20 0 CAADHN COC(=O)NCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001113944988 776606468 /nfs/dbraw/zinc/60/64/68/776606468.db2.gz NKIARYTUFUTVNL-LOKLDPHHSA-N 0 3 296.327 -1.723 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001114060438 776608776 /nfs/dbraw/zinc/60/87/76/776608776.db2.gz LHWCIBDFJXKJCZ-MPXOCVNLSA-N 0 3 294.355 -1.553 20 0 CAADHN COCCOCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001114072716 776609965 /nfs/dbraw/zinc/60/99/65/776609965.db2.gz XOOVFIWWDWFGJX-XZUYRWCXSA-N 0 3 297.355 -1.416 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001114097804 776611489 /nfs/dbraw/zinc/61/14/89/776611489.db2.gz BEJAIQPTHADFNW-GDGBQDQQSA-N 0 3 295.343 -2.067 20 0 CAADHN Cn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC(N)=O)cn1 ZINC001114099031 776611570 /nfs/dbraw/zinc/61/15/70/776611570.db2.gz PRGSWCZIKYQXEK-YABSGUDNSA-N 0 3 291.355 -1.116 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114099466 776611703 /nfs/dbraw/zinc/61/17/03/776611703.db2.gz XRRKWCHFJMAAPF-ZWADGADFSA-N 0 3 294.311 -2.287 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001114172149 776614959 /nfs/dbraw/zinc/61/49/59/776614959.db2.gz PBCREVKVSAZEPY-COMAGPEQSA-N 0 3 294.355 -1.553 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001114181001 776616039 /nfs/dbraw/zinc/61/60/39/776616039.db2.gz VRYNNIPBXMPETD-SREGZZRCSA-N 0 3 280.328 -1.943 20 0 CAADHN Cn1cc(C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)nn1 ZINC001114217750 776617379 /nfs/dbraw/zinc/61/73/79/776617379.db2.gz VLNFBIKBRNWWNJ-IAZYJMLFSA-N 0 3 295.343 -1.516 20 0 CAADHN Cc1nc(=O)[nH]c(C)c1CCC(=O)NCCNCC(N)=O ZINC001129396509 776619179 /nfs/dbraw/zinc/61/91/79/776619179.db2.gz DRNAYENBERQHPX-UHFFFAOYSA-N 0 3 295.343 -1.077 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCCC(=O)[C@H](F)C1 ZINC001157854835 776619290 /nfs/dbraw/zinc/61/92/90/776619290.db2.gz IRMZMYGTHNOSGE-ZJUUUORDSA-N 0 3 285.319 -1.154 20 0 CAADHN O=C(Cn1ncnn1)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001114288119 776619473 /nfs/dbraw/zinc/61/94/73/776619473.db2.gz UQZPHHQZXRVMIQ-IAZYJMLFSA-N 0 3 296.331 -2.272 20 0 CAADHN CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2CN(CCO)C[C@H]21 ZINC001114274068 776619626 /nfs/dbraw/zinc/61/96/26/776619626.db2.gz ZJCGZFXFDGTQDR-JZYVYDRUSA-N 0 3 291.373 -2.036 20 0 CAADHN CN(C)[C@@H](C(=O)NCCNCc1nnnn1C)C1CC1 ZINC001129436978 776620615 /nfs/dbraw/zinc/62/06/15/776620615.db2.gz UKHGJVBXNKPQIW-LLVKDONJSA-N 0 3 281.364 -1.244 20 0 CAADHN Cc1csc(=O)n1CCC(=O)NCCNCC(N)=O ZINC001129484448 776621806 /nfs/dbraw/zinc/62/18/06/776621806.db2.gz PYITVVDTIQOKEK-UHFFFAOYSA-N 0 3 286.357 -1.201 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC001129517325 776621832 /nfs/dbraw/zinc/62/18/32/776621832.db2.gz NCWFBWFOJQFQMY-UHFFFAOYSA-N 0 3 292.295 -1.178 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](NCCO)[C@@H](n2ccnn2)C1 ZINC001129541549 776622439 /nfs/dbraw/zinc/62/24/39/776622439.db2.gz ZQGXCIWZHCXLNC-MNOVXSKESA-N 0 3 296.331 -2.252 20 0 CAADHN O=C(CNCCNC(=O)c1cc2n(n1)CCO2)NC1CC1 ZINC001129551740 776622471 /nfs/dbraw/zinc/62/24/71/776622471.db2.gz VWKFBQBEPPPKDB-UHFFFAOYSA-N 0 3 293.327 -1.127 20 0 CAADHN C[C@H](NCCNC(=O)c1cc2n(n1)CCO2)C(N)=O ZINC001129546751 776622542 /nfs/dbraw/zinc/62/25/42/776622542.db2.gz RATAKCYMGHXMAP-ZETCQYMHSA-N 0 3 267.289 -1.531 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1CCOCC1=O ZINC001129551833 776622643 /nfs/dbraw/zinc/62/26/43/776622643.db2.gz YFGDLEMYEFZDIU-UHFFFAOYSA-N 0 3 286.332 -2.313 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cnn2ccncc12 ZINC001129546480 776622701 /nfs/dbraw/zinc/62/27/01/776622701.db2.gz KDYIRMWADMHEDI-JTQLQIEISA-N 0 3 288.311 -1.063 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cc2n(n1)CCO2 ZINC001129550200 776622939 /nfs/dbraw/zinc/62/29/39/776622939.db2.gz BPSSOIXLGWUVTI-MRVPVSSYSA-N 0 3 279.300 -1.517 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cc2n(n1)CCO2 ZINC001129550644 776623095 /nfs/dbraw/zinc/62/30/95/776623095.db2.gz IAYKHUHPKVGNMD-UHFFFAOYSA-N 0 3 281.316 -1.317 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cnn2ccncc12 ZINC001129546481 776623211 /nfs/dbraw/zinc/62/32/11/776623211.db2.gz KDYIRMWADMHEDI-SNVBAGLBSA-N 0 3 288.311 -1.063 20 0 CAADHN Cn1nccc1CNCCNC(=O)CN1CCOCC1=O ZINC001129550284 776623394 /nfs/dbraw/zinc/62/33/94/776623394.db2.gz DANLHIFIVWFUPJ-UHFFFAOYSA-N 0 3 295.343 -1.515 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1CCOCC1=O ZINC001129573313 776624265 /nfs/dbraw/zinc/62/42/65/776624265.db2.gz ARYCYBVQZWUEGY-VIFPVBQESA-N 0 3 286.332 -2.315 20 0 CAADHN NC(=O)CNCCNC(=O)c1cccc2c1NC(=O)CO2 ZINC001129620476 776624656 /nfs/dbraw/zinc/62/46/56/776624656.db2.gz VNFZEWPYOLVVIN-UHFFFAOYSA-N 0 3 292.295 -1.178 20 0 CAADHN Cc1nn(C)cc1CC(=O)NCCN[C@H](C)C(N)=O ZINC001129597273 776624751 /nfs/dbraw/zinc/62/47/51/776624751.db2.gz ONAGFLSEBIBDFI-SECBINFHSA-N 0 3 267.333 -1.149 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cnn2ncccc12 ZINC001129588887 776624958 /nfs/dbraw/zinc/62/49/58/776624958.db2.gz TXCWFHXSNVHWQN-JTQLQIEISA-N 0 3 288.311 -1.063 20 0 CAADHN Cc1nn(C)cc1CC(=O)NCCNCC(=O)NC(N)=O ZINC001129597705 776624982 /nfs/dbraw/zinc/62/49/82/776624982.db2.gz ZFFFWZMKLDQURG-UHFFFAOYSA-N 0 3 296.331 -1.828 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn2ncccc12)C(N)=O ZINC001129600732 776624998 /nfs/dbraw/zinc/62/49/98/776624998.db2.gz PFFQWYHLNFTCEU-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnc2n1CCC2 ZINC001129759891 776625556 /nfs/dbraw/zinc/62/55/56/776625556.db2.gz PGCKVHFVBNHFFP-UHFFFAOYSA-N 0 3 265.317 -1.105 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc2c(cn1)OCCO2 ZINC001129671323 776625814 /nfs/dbraw/zinc/62/58/14/776625814.db2.gz PBDONYRYFSTTFC-UHFFFAOYSA-N 0 3 294.311 -1.082 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnc2n1CCC2 ZINC001129762165 776625852 /nfs/dbraw/zinc/62/58/52/776625852.db2.gz ILPQMJZUPYTBMV-UHFFFAOYSA-N 0 3 251.290 -1.366 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@@H]2NC(=O)NC2=O)C1=O ZINC001129755194 776625917 /nfs/dbraw/zinc/62/59/17/776625917.db2.gz NYKNQYLBQOCECP-SFYZADRCSA-N 0 3 297.315 -2.479 20 0 CAADHN Cn1nccc1CNCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743048 776626009 /nfs/dbraw/zinc/62/60/09/776626009.db2.gz DCPDDOYGAQJWIJ-VIFPVBQESA-N 0 3 294.315 -1.776 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001129640011 776626029 /nfs/dbraw/zinc/62/60/29/776626029.db2.gz CRKCKOKAJUARKI-NSHDSACASA-N 0 3 290.323 -1.295 20 0 CAADHN NC(=O)CNCCNC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC001129697904 776626058 /nfs/dbraw/zinc/62/60/58/776626058.db2.gz ZXBJWLVHNFVWJG-UHFFFAOYSA-N 0 3 290.323 -1.085 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)N(C)C ZINC001129754736 776626078 /nfs/dbraw/zinc/62/60/78/776626078.db2.gz GGBQFQQHIGNOPR-SFYZADRCSA-N 0 3 299.331 -2.233 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@@H]1NC(=O)NC1=O)C(N)=O ZINC001129754491 776626089 /nfs/dbraw/zinc/62/60/89/776626089.db2.gz BXCIZCFPIHOHQH-RQJHMYQMSA-N 0 3 285.304 -2.446 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NCCNCC(=O)N1CCC1 ZINC001129743051 776626460 /nfs/dbraw/zinc/62/64/60/776626460.db2.gz DEUXENNOLNHTKB-QMMMGPOBSA-N 0 3 297.315 -2.477 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743601 776627152 /nfs/dbraw/zinc/62/71/52/776627152.db2.gz ROHCSEBDEVPWSW-QMMMGPOBSA-N 0 3 299.331 -2.184 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NCCNCc1cccnc1 ZINC001129743637 776627169 /nfs/dbraw/zinc/62/71/69/776627169.db2.gz SJQBEVGVAOPSHR-JTQLQIEISA-N 0 3 291.311 -1.115 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001129743931 776627397 /nfs/dbraw/zinc/62/73/97/776627397.db2.gz ZDKJWNKITQXGOE-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN Cn1cc(CNCCNC(=O)C[C@@H]2NC(=O)NC2=O)cn1 ZINC001129743187 776627489 /nfs/dbraw/zinc/62/74/89/776627489.db2.gz KAZPSORBDOLPJZ-VIFPVBQESA-N 0 3 294.315 -1.776 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1NC(=O)NC1=O)C(N)=O ZINC001129743917 776627515 /nfs/dbraw/zinc/62/75/15/776627515.db2.gz YNRWPJKVPYXQQY-WDSKDSINSA-N 0 3 271.277 -2.836 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NCCN[C@@H]1CCCNC1=O ZINC001129743937 776627590 /nfs/dbraw/zinc/62/75/90/776627590.db2.gz ZINIKQGRHFOJJA-SFYZADRCSA-N 0 3 297.315 -2.431 20 0 CAADHN O=C(CNCCNC(=O)C[C@@H]1NC(=O)NC1=O)NC1CC1 ZINC001129743502 776627951 /nfs/dbraw/zinc/62/79/51/776627951.db2.gz OSECMLGFLYVMHO-QMMMGPOBSA-N 0 3 297.315 -2.431 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)NCCN[C@H]1CCCNC1=O ZINC001129743938 776628475 /nfs/dbraw/zinc/62/84/75/776628475.db2.gz ZINIKQGRHFOJJA-YUMQZZPRSA-N 0 3 297.315 -2.431 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cc(=O)n(C)cn1 ZINC001129814341 776628757 /nfs/dbraw/zinc/62/87/57/776628757.db2.gz PRQRCGDSYOYJJV-UHFFFAOYSA-N 0 3 281.316 -1.812 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001129802467 776628816 /nfs/dbraw/zinc/62/88/16/776628816.db2.gz HMYBQYVDYGMJJI-AEJSXWLSSA-N 0 3 271.317 -1.615 20 0 CAADHN CCc1c[nH]c(CC(=O)NCCNCC(N)=O)n1 ZINC001129818460 776629068 /nfs/dbraw/zinc/62/90/68/776629068.db2.gz GEHUUJVZGMDAKT-UHFFFAOYSA-N 0 3 253.306 -1.294 20 0 CAADHN C[C@H](NCCNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001129814555 776629084 /nfs/dbraw/zinc/62/90/84/776629084.db2.gz UGZXMXPVWPZUTD-ZETCQYMHSA-N 0 3 267.289 -2.027 20 0 CAADHN Cn1cnc(C(=O)NCCN[C@H]2CCCNC2=O)cc1=O ZINC001129814315 776629306 /nfs/dbraw/zinc/62/93/06/776629306.db2.gz PDDSLGMZBALTFO-VIFPVBQESA-N 0 3 293.327 -1.622 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001129802468 776629455 /nfs/dbraw/zinc/62/94/55/776629455.db2.gz HMYBQYVDYGMJJI-GUBZILKMSA-N 0 3 271.317 -1.615 20 0 CAADHN CC[C@H](NCCNC(=O)c1cc(=O)n(C)cn1)C(N)=O ZINC001129825922 776629537 /nfs/dbraw/zinc/62/95/37/776629537.db2.gz OEFSZQRIDKRXGE-QMMMGPOBSA-N 0 3 281.316 -1.636 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001129806286 776629543 /nfs/dbraw/zinc/62/95/43/776629543.db2.gz HEFSFLYHMSZDRM-AXFHLTTASA-N 0 3 285.344 -1.273 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cc(=O)n(C)cn1 ZINC001129825027 776629567 /nfs/dbraw/zinc/62/95/67/776629567.db2.gz BKCSKTAQIMHADN-MRVPVSSYSA-N 0 3 281.316 -1.766 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1OCCO[C@H]1C ZINC001129806962 776629620 /nfs/dbraw/zinc/62/96/20/776629620.db2.gz USEFSMZZAPMRAB-UTLUCORTSA-N 0 3 273.333 -1.369 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001129806742 776629640 /nfs/dbraw/zinc/62/96/40/776629640.db2.gz OVFKHPWMNYSDMR-NGZCFLSTSA-N 0 3 299.327 -1.699 20 0 CAADHN C[C@@H]1OCCO[C@@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001129802441 776629709 /nfs/dbraw/zinc/62/97/09/776629709.db2.gz GTADDBKYDBFJBJ-DCAQKATOSA-N 0 3 285.344 -1.225 20 0 CAADHN CC[C@]1(C(=O)NCCN[C@H](C)C(=O)NC)CCNC1=O ZINC001129871754 776630511 /nfs/dbraw/zinc/63/05/11/776630511.db2.gz SSDDRFRITBPHCP-RNCFNFMXSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@]1(C(=O)NCCN[C@H]2CCCNC2=O)CCNC1=O ZINC001129870596 776630632 /nfs/dbraw/zinc/63/06/32/776630632.db2.gz IJOXCUOLSDRNEN-HZMBPMFUSA-N 0 3 296.371 -1.113 20 0 CAADHN CC[C@@]1(C(=O)NCCN[C@@H]2CCCNC2=O)CCNC1=O ZINC001129870598 776630812 /nfs/dbraw/zinc/63/08/12/776630812.db2.gz IJOXCUOLSDRNEN-QMTHXVAHSA-N 0 3 296.371 -1.113 20 0 CAADHN CC[C@@]1(C(=O)NCCN[C@H](C)C(=O)NC)CCNC1=O ZINC001129871753 776630980 /nfs/dbraw/zinc/63/09/80/776630980.db2.gz SSDDRFRITBPHCP-NOZJJQNGSA-N 0 3 284.360 -1.257 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cnc2n1CCOC2 ZINC001129888757 776631065 /nfs/dbraw/zinc/63/10/65/776631065.db2.gz DEAYIPYLEFNROQ-SECBINFHSA-N 0 3 293.327 -1.379 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@]1(CC)CCNC1=O)C(N)=O ZINC001129872196 776631116 /nfs/dbraw/zinc/63/11/16/776631116.db2.gz VNOXDRZYWQTLAL-NOZJJQNGSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@]1(C(=O)NCCNCC(=O)NC)CCNC1=O ZINC001129865065 776631212 /nfs/dbraw/zinc/63/12/12/776631212.db2.gz CTZNXGTYKWBENU-LBPRGKRZSA-N 0 3 270.333 -1.646 20 0 CAADHN CC[C@@]1(C(=O)NCCN[C@H](C)C(N)=O)CCNC1=O ZINC001129871516 776631443 /nfs/dbraw/zinc/63/14/43/776631443.db2.gz RFMCXGPBABIHJM-PRHODGIISA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)CNCCNC(=O)COc1cc(C)on1 ZINC001129913020 776632327 /nfs/dbraw/zinc/63/23/27/776632327.db2.gz MJWJLWFXVOVFSG-UHFFFAOYSA-N 0 3 270.289 -1.186 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001129875483 776632227 /nfs/dbraw/zinc/63/22/27/776632227.db2.gz QMVYWBPJDPEQBG-CQSZACIVSA-N 0 3 296.371 -1.126 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C(C)(C)C(N)=O ZINC001129923990 776632246 /nfs/dbraw/zinc/63/22/46/776632246.db2.gz HHFHJEJOZCGLQZ-UHFFFAOYSA-N 0 3 287.320 -2.341 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C(C)(C)C(N)=O ZINC001129926623 776632340 /nfs/dbraw/zinc/63/23/40/776632340.db2.gz CRFZKBUMAFYAKA-UHFFFAOYSA-N 0 3 258.322 -1.708 20 0 CAADHN CC[C@@]1(C(=O)NCCN[C@@H]2CCN(C)C2=O)CCNC1=O ZINC001129875284 776632351 /nfs/dbraw/zinc/63/23/51/776632351.db2.gz MEZPBWLQSNHZDR-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C(C)(C)C(N)=O)C1=O ZINC001129926711 776632386 /nfs/dbraw/zinc/63/23/86/776632386.db2.gz FDCWHMKWSHLHIE-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCCNCCNS(C)(=O)=O ZINC001129927680 776632678 /nfs/dbraw/zinc/63/26/78/776632678.db2.gz ZJMTYLPFXGUCAB-UHFFFAOYSA-N 0 3 294.377 -2.247 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001129893501 776632719 /nfs/dbraw/zinc/63/27/19/776632719.db2.gz SQSMZKGQPSWYRI-HTQZYQBOSA-N 0 3 294.315 -1.586 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCCN[C@H]1CCCNC1=O ZINC001129924205 776632728 /nfs/dbraw/zinc/63/27/28/776632728.db2.gz QQYMPEHRZDQTCW-QMMMGPOBSA-N 0 3 270.333 -1.518 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCCN[C@@H]1CCCNC1=O ZINC001129924204 776632737 /nfs/dbraw/zinc/63/27/37/776632737.db2.gz QQYMPEHRZDQTCW-MRVPVSSYSA-N 0 3 270.333 -1.518 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)C(C)(C)C(N)=O)C1=O ZINC001129927382 776632792 /nfs/dbraw/zinc/63/27/92/776632792.db2.gz QZBMUZCLVBSUDP-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN CC(C)(C(N)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001129924132 776632862 /nfs/dbraw/zinc/63/28/62/776632862.db2.gz NCLPZFOKVSWIDY-SSDOTTSWSA-N 0 3 256.306 -1.908 20 0 CAADHN CC[C@@]1(C(=O)NCCN[C@H]2CCN(C)C2=O)CCNC1=O ZINC001129875283 776632887 /nfs/dbraw/zinc/63/28/87/776632887.db2.gz MEZPBWLQSNHZDR-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)C(C)(C)C(N)=O)C1=O ZINC001129926784 776632961 /nfs/dbraw/zinc/63/29/61/776632961.db2.gz FYABFCDZHFDFSU-SECBINFHSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@]1(C(=O)NCCN[C@@H]2CCNC2=O)CCNC1=O ZINC001129872369 776633012 /nfs/dbraw/zinc/63/30/12/776633012.db2.gz XBGCJHXOAGWRBM-NOZJJQNGSA-N 0 3 282.344 -1.503 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)C(N)=O ZINC001129926811 776633126 /nfs/dbraw/zinc/63/31/26/776633126.db2.gz GXUXDMBPFJTUKR-SSDOTTSWSA-N 0 3 258.322 -1.662 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCNC1=O)C(N)=O ZINC001129953608 776633752 /nfs/dbraw/zinc/63/37/52/776633752.db2.gz LXQGLPRCXWKYJL-SFYZADRCSA-N 0 3 256.306 -1.908 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1CCCNC1=O ZINC001129954073 776633839 /nfs/dbraw/zinc/63/38/39/776633839.db2.gz XZBQUESZBJQSRH-BDAKNGLRSA-N 0 3 296.327 -1.976 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CCCNC1=O ZINC001129952960 776634009 /nfs/dbraw/zinc/63/40/09/776634009.db2.gz COHRUQJEPRRGTO-BDAKNGLRSA-N 0 3 268.317 -1.893 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCCNC1=O)N1CCCC1 ZINC001129954065 776634132 /nfs/dbraw/zinc/63/41/32/776634132.db2.gz XVRCSGCATBBBID-NSHDSACASA-N 0 3 296.371 -1.159 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CCCNC1=O ZINC001129952964 776634186 /nfs/dbraw/zinc/63/41/86/776634186.db2.gz COHRUQJEPRRGTO-RKDXNWHRSA-N 0 3 268.317 -1.893 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)C(C)(C)C(N)=O ZINC001129931179 776634209 /nfs/dbraw/zinc/63/42/09/776634209.db2.gz KDPJVNBRACLWRQ-UHFFFAOYSA-N 0 3 272.349 -1.272 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCCNC1=O)NC1CC1 ZINC001129953716 776634329 /nfs/dbraw/zinc/63/43/29/776634329.db2.gz OPGQHWIZAZUAJA-JTQLQIEISA-N 0 3 282.344 -1.503 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCNC1=O ZINC001129952980 776634378 /nfs/dbraw/zinc/63/43/78/776634378.db2.gz CUDZGGUBYWHMBY-SSDOTTSWSA-N 0 3 285.304 -2.587 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCNC1=O)C(N)=O ZINC001129953609 776634544 /nfs/dbraw/zinc/63/45/44/776634544.db2.gz LXQGLPRCXWKYJL-YUMQZZPRSA-N 0 3 256.306 -1.908 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1CCCNC1=O ZINC001129954075 776634596 /nfs/dbraw/zinc/63/45/96/776634596.db2.gz XZBQUESZBJQSRH-IUCAKERBSA-N 0 3 296.327 -1.976 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@@H]2CCCNC2=O)C1=O ZINC001129952837 776634619 /nfs/dbraw/zinc/63/46/19/776634619.db2.gz ABBNDHUKNXJTNU-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CNCCNC(=O)C(C)(C)C(N)=O ZINC001129931302 776634627 /nfs/dbraw/zinc/63/46/27/776634627.db2.gz PURWVWQVIUFJPN-UHFFFAOYSA-N 0 3 258.322 -1.660 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CCCNC1=O)C1CC1 ZINC001129953638 776634657 /nfs/dbraw/zinc/63/46/57/776634657.db2.gz MQHKVPAUDCEOFI-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCCNC1=O)NCC1CC1 ZINC001129953699 776634708 /nfs/dbraw/zinc/63/47/08/776634708.db2.gz OCSOLKSPOPSEIB-NSHDSACASA-N 0 3 296.371 -1.255 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1cncs1 ZINC001129969932 776635468 /nfs/dbraw/zinc/63/54/68/776635468.db2.gz QPBGPZJHYMFFIV-UHFFFAOYSA-N 0 3 299.356 -1.153 20 0 CAADHN CO[C@H](C)CN[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129984802 776635490 /nfs/dbraw/zinc/63/54/90/776635490.db2.gz BOBGCUZISYBOCS-BBBLOLIVSA-N 0 3 296.331 -1.860 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCCNC2=O)C1=O ZINC001129957691 776635576 /nfs/dbraw/zinc/63/55/76/776635576.db2.gz RWDHUXBFNQMRDW-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2CCCNC2=O)C1=O ZINC001129956513 776635668 /nfs/dbraw/zinc/63/56/68/776635668.db2.gz BVBTVKLOJNUSDH-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCCNC1=O)C(N)=O ZINC001129957114 776635729 /nfs/dbraw/zinc/63/57/29/776635729.db2.gz JFXSUFXNBYQYSU-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCNC1=O)C(=O)N(C)C ZINC001129958285 776635742 /nfs/dbraw/zinc/63/57/42/776635742.db2.gz ZQBYRTCBPAUFBR-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](NCCNC(=O)Cc1cncs1)C(=O)NC(N)=O ZINC001129982579 776635817 /nfs/dbraw/zinc/63/58/17/776635817.db2.gz LORAUQHIXGMZHA-ZETCQYMHSA-N 0 3 299.356 -1.025 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCNC1=O)C(=O)NC1CC1 ZINC001129958302 776635860 /nfs/dbraw/zinc/63/58/60/776635860.db2.gz ZVNPXDLGAKTJQW-GXSJLCMTSA-N 0 3 296.371 -1.115 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCCNC2=O)C1=O ZINC001129957689 776635920 /nfs/dbraw/zinc/63/59/20/776635920.db2.gz RWDHUXBFNQMRDW-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCNC1=O)C(=O)NC(N)=O ZINC001129956689 776636015 /nfs/dbraw/zinc/63/60/15/776636015.db2.gz DHOMDTOZSDTUCM-JGVFFNPUSA-N 0 3 299.331 -2.198 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCCNC1=O)C(N)=O ZINC001129957116 776636039 /nfs/dbraw/zinc/63/60/39/776636039.db2.gz JFXSUFXNBYQYSU-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCCNC2=O)C1=O ZINC001129957692 776636183 /nfs/dbraw/zinc/63/61/83/776636183.db2.gz RWDHUXBFNQMRDW-ZJUUUORDSA-N 0 3 282.344 -1.551 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129996171 776636863 /nfs/dbraw/zinc/63/68/63/776636863.db2.gz DKEFCIPHELLQIU-ZETCQYMHSA-N 0 3 295.299 -1.452 20 0 CAADHN CC[C@H](NCCNC(=O)c1cn[nH]c(=O)c1)C(N)=O ZINC001129991178 776636869 /nfs/dbraw/zinc/63/68/69/776636869.db2.gz RNVLANLGJDYCJX-QMMMGPOBSA-N 0 3 267.289 -1.235 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)c1cn[nH]c(=O)c1 ZINC001129989820 776636939 /nfs/dbraw/zinc/63/69/39/776636939.db2.gz XUOFPGOMNKGCSD-VIFPVBQESA-N 0 3 279.300 -1.220 20 0 CAADHN COC[C@@H](C)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129988305 776637058 /nfs/dbraw/zinc/63/70/58/776637058.db2.gz MBTCZRRPCIFITQ-BBBLOLIVSA-N 0 3 296.331 -1.860 20 0 CAADHN COC[C@H](C)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129988303 776637263 /nfs/dbraw/zinc/63/72/63/776637263.db2.gz MBTCZRRPCIFITQ-AEJSXWLSSA-N 0 3 296.331 -1.860 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1[nH]c(=O)[nH]c1C ZINC001129996084 776637325 /nfs/dbraw/zinc/63/73/25/776637325.db2.gz ABTBHJQTXKOKLE-SSDOTTSWSA-N 0 3 269.305 -1.122 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cn[nH]c(=O)c1 ZINC001129992679 776637509 /nfs/dbraw/zinc/63/75/09/776637509.db2.gz PRCIZFPJNHTTSY-QMMMGPOBSA-N 0 3 265.273 -1.610 20 0 CAADHN O=C(CNCCNC(=O)c1cn[nH]c(=O)c1)NC1CC1 ZINC001129992833 776637547 /nfs/dbraw/zinc/63/75/47/776637547.db2.gz XWEWJJPYVYXUEG-UHFFFAOYSA-N 0 3 279.300 -1.220 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn[nH]c(=O)c1)C(=O)N(C)C ZINC001129991187 776637590 /nfs/dbraw/zinc/63/75/90/776637590.db2.gz SAFLIXXHPDWVHP-MRVPVSSYSA-N 0 3 281.316 -1.022 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001129998123 776637745 /nfs/dbraw/zinc/63/77/45/776637745.db2.gz QWLCMXZZWVKRCT-MRVPVSSYSA-N 0 3 281.316 -1.026 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cn[nH]c(=O)c2)C1=O ZINC001129990514 776637814 /nfs/dbraw/zinc/63/78/14/776637814.db2.gz CSAAWQJKZFHVKL-VIFPVBQESA-N 0 3 279.300 -1.268 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cn[nH]c(=O)c1)C(N)=O ZINC001129991177 776637879 /nfs/dbraw/zinc/63/78/79/776637879.db2.gz RNVLANLGJDYCJX-MRVPVSSYSA-N 0 3 267.289 -1.235 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn[nH]c(=O)c1)C(N)=O ZINC001129990575 776637889 /nfs/dbraw/zinc/63/78/89/776637889.db2.gz FHZFZHHUXFLOHW-ZCFIWIBFSA-N 0 3 253.262 -1.625 20 0 CAADHN C[C@@]1(O)CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C[C@@H]1F ZINC001157900073 776637962 /nfs/dbraw/zinc/63/79/62/776637962.db2.gz FKBQXEOQBZNCLV-JBLDHEPKSA-N 0 3 287.335 -1.362 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cn[nH]c(=O)c1 ZINC001129992575 776637990 /nfs/dbraw/zinc/63/79/90/776637990.db2.gz LZBQLJRFPNXAQS-UHFFFAOYSA-N 0 3 267.289 -1.362 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCNCC(=O)NC(N)=O ZINC001129996829 776638016 /nfs/dbraw/zinc/63/80/16/776638016.db2.gz WIBHCFUCMDOCGD-UHFFFAOYSA-N 0 3 284.276 -2.062 20 0 CAADHN COC1CC(C(=O)NCCNCC(=O)N2CCOCC2)C1 ZINC001130023910 776638087 /nfs/dbraw/zinc/63/80/87/776638087.db2.gz APTBTZQDXAOVLF-UHFFFAOYSA-N 0 3 299.371 -1.024 20 0 CAADHN Cc1[nH]c(=O)[nH]c1C(=O)NCCNCC(=O)N1CCC1 ZINC001129995508 776638098 /nfs/dbraw/zinc/63/80/98/776638098.db2.gz SVTPHXCXDLCTAH-UHFFFAOYSA-N 0 3 281.316 -1.025 20 0 CAADHN CN1CC[C@H](CC(=O)NCCNCC(=O)NC2CC2)C1=O ZINC001130041088 776638358 /nfs/dbraw/zinc/63/83/58/776638358.db2.gz APQCKJAAVRFQMB-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCCC(=O)N1 ZINC001130035158 776638816 /nfs/dbraw/zinc/63/88/16/776638816.db2.gz JLFOYQYNQZIRCP-DTWKUNHWSA-N 0 3 268.317 -1.751 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@@H]1CCN(C)C1=O ZINC001130041278 776639011 /nfs/dbraw/zinc/63/90/11/776639011.db2.gz HKZNFKHNHYKJFH-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CN1CC[C@H](CC(=O)NCCNCC(=O)N2CCC2)C1=O ZINC001130041905 776639067 /nfs/dbraw/zinc/63/90/67/776639067.db2.gz YQYPQZVZGRFRRD-LLVKDONJSA-N 0 3 296.371 -1.207 20 0 CAADHN CC[C@H](NCCNC(=O)COCc1nccn1C)C(N)=O ZINC001130039060 776639314 /nfs/dbraw/zinc/63/93/14/776639314.db2.gz XAYMENHHYMXTHQ-JTQLQIEISA-N 0 3 297.359 -1.094 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130035229 776639339 /nfs/dbraw/zinc/63/93/39/776639339.db2.gz MELJKNNPNWGIGH-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CN1CC[C@@H](CC(=O)NCCNCC(=O)NC(N)=O)C1=O ZINC001130041819 776639493 /nfs/dbraw/zinc/63/94/93/776639493.db2.gz WOIZLLQPBVNQQU-QMMMGPOBSA-N 0 3 299.331 -2.245 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130031697 776639526 /nfs/dbraw/zinc/63/95/26/776639526.db2.gz SYPBEDWVGGVIGO-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCCC(=O)N1 ZINC001130035341 776639552 /nfs/dbraw/zinc/63/95/52/776639552.db2.gz QJTYSPFUTXPUTL-SECBINFHSA-N 0 3 270.333 -1.503 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCN(C)C1=O)C(N)=O ZINC001130050546 776640160 /nfs/dbraw/zinc/64/01/60/776640160.db2.gz CAASFJVPBMLJFX-BDAKNGLRSA-N 0 3 270.333 -1.566 20 0 CAADHN CNC(=O)CNCCNC(=O)COCc1nccn1C ZINC001130036923 776640186 /nfs/dbraw/zinc/64/01/86/776640186.db2.gz BBRSVZLYKLJZST-UHFFFAOYSA-N 0 3 283.332 -1.612 20 0 CAADHN CN1CC[C@H](CC(=O)NCCN[C@@H]2CCN(C)C2=O)C1=O ZINC001130050616 776640235 /nfs/dbraw/zinc/64/02/35/776640235.db2.gz DJEUTNQBPNMBBT-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCC(=O)N1)C(=O)NC(N)=O ZINC001130037632 776640285 /nfs/dbraw/zinc/64/02/85/776640285.db2.gz RPTBKLHFPFCVAV-JGVFFNPUSA-N 0 3 299.331 -2.056 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@@H]1CCN(C)C1=O)C(N)=O ZINC001130052186 776640296 /nfs/dbraw/zinc/64/02/96/776640296.db2.gz ZAHFQNRPTVSZHB-VHSXEESVSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCN(C)C1=O)C(N)=O ZINC001130050548 776640332 /nfs/dbraw/zinc/64/03/32/776640332.db2.gz CAASFJVPBMLJFX-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157904806 776640388 /nfs/dbraw/zinc/64/03/88/776640388.db2.gz NZLHIIRWFWIHQV-VJSSZMMUSA-N 0 3 278.374 -1.716 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCCC(=O)N2)C1=O ZINC001130037390 776640399 /nfs/dbraw/zinc/64/03/99/776640399.db2.gz KWMOYJMXTRXRJC-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@H]1CCN(C)C1=O ZINC001130050727 776640492 /nfs/dbraw/zinc/64/04/92/776640492.db2.gz GNYBWFLNEJIGRI-VHSXEESVSA-N 0 3 284.360 -1.305 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157904808 776640723 /nfs/dbraw/zinc/64/07/23/776640723.db2.gz NZLHIIRWFWIHQV-ZFZHSICOSA-N 0 3 278.374 -1.716 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@@H]1CCN(C)C1=O)C(N)=O ZINC001130052185 776640888 /nfs/dbraw/zinc/64/08/88/776640888.db2.gz ZAHFQNRPTVSZHB-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157905970 776640902 /nfs/dbraw/zinc/64/09/02/776640902.db2.gz XRMRQFWHPMBFCK-VWYCJHECSA-N 0 3 285.344 -2.482 20 0 CAADHN Cn1ccnc1COCC(=O)NCCN[C@H]1CCNC1=O ZINC001130038377 776640974 /nfs/dbraw/zinc/64/09/74/776640974.db2.gz BCTUTHWTGFEXFR-JTQLQIEISA-N 0 3 295.343 -1.469 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157903276 776641002 /nfs/dbraw/zinc/64/10/02/776641002.db2.gz FCBHPNKOOGNLPT-DVVUODLYSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157903276 776641007 /nfs/dbraw/zinc/64/10/07/776641007.db2.gz FCBHPNKOOGNLPT-DVVUODLYSA-N 0 3 268.317 -1.519 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@H]2CCCC(=O)N2)C1=O ZINC001130037233 776641088 /nfs/dbraw/zinc/64/10/88/776641088.db2.gz JAMMHVAIUOFTND-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CN1CC[C@@H](CC(=O)NCCN[C@H]2CCCNC2=O)C1=O ZINC001130048332 776641173 /nfs/dbraw/zinc/64/11/73/776641173.db2.gz QOFOEFXNNRUNAO-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCC(=O)N1)C(=O)N(C)C ZINC001130037381 776641179 /nfs/dbraw/zinc/64/11/79/776641179.db2.gz KQHLNJRQHMLFQT-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157904807 776641270 /nfs/dbraw/zinc/64/12/70/776641270.db2.gz NZLHIIRWFWIHQV-WLGFBQDLSA-N 0 3 278.374 -1.716 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157903280 776641291 /nfs/dbraw/zinc/64/12/91/776641291.db2.gz FCBHPNKOOGNLPT-GDPRMGEGSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157903280 776641295 /nfs/dbraw/zinc/64/12/95/776641295.db2.gz FCBHPNKOOGNLPT-GDPRMGEGSA-N 0 3 268.317 -1.519 20 0 CAADHN CS(=O)(=O)CCNCCNC(=O)c1cnc[nH]c1=O ZINC001130079087 776641704 /nfs/dbraw/zinc/64/17/04/776641704.db2.gz OFDQYUYQPUAOLE-UHFFFAOYSA-N 0 3 288.329 -1.454 20 0 CAADHN Cc1nc(C(=O)NCCN[C@@H](C)C(N)=O)c(=O)[nH]c1C ZINC001130124736 776642316 /nfs/dbraw/zinc/64/23/16/776642316.db2.gz WFNIHNHQKBTCKS-QMMMGPOBSA-N 0 3 281.316 -1.008 20 0 CAADHN O=C(NCC[NH2+]CCN1CCNC1=O)c1cnc[n-]c1=O ZINC001130072394 776642354 /nfs/dbraw/zinc/64/23/54/776642354.db2.gz KQOYPKKSSBPIHW-UHFFFAOYSA-N 0 3 294.315 -1.473 20 0 CAADHN Cc1cnc2nc(C(=O)NCCN[C@@H](C)C(N)=O)nn2c1 ZINC001130076888 776642382 /nfs/dbraw/zinc/64/23/82/776642382.db2.gz GNNLNUXMRMBBDV-QMMMGPOBSA-N 0 3 291.315 -1.374 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccnn1CCOC ZINC001130069652 776642482 /nfs/dbraw/zinc/64/24/82/776642482.db2.gz FAUSZDFWTVBFMS-SNVBAGLBSA-N 0 3 297.359 -1.017 20 0 CAADHN O=C(NCC[NH2+][C@@H]1CCCNC1=O)c1cnc[n-]c1=O ZINC001130078936 776642555 /nfs/dbraw/zinc/64/25/55/776642555.db2.gz DMZNIJQJQCHHCU-SECBINFHSA-N 0 3 279.300 -1.220 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC1(F)F ZINC001130092019 776642581 /nfs/dbraw/zinc/64/25/81/776642581.db2.gz LNCSKHVRVYMELG-ZCFIWIBFSA-N 0 3 278.259 -1.068 20 0 CAADHN C[C@@H]([NH2+]CCNC(=O)c1cnc[n-]c1=O)C(=O)NC(N)=O ZINC001130073728 776642814 /nfs/dbraw/zinc/64/28/14/776642814.db2.gz DYQTVGTYYYNCIY-ZCFIWIBFSA-N 0 3 296.287 -1.915 20 0 CAADHN O=C(NCC[NH2+][C@H]1CCCNC1=O)c1cnc[n-]c1=O ZINC001130078937 776643036 /nfs/dbraw/zinc/64/30/36/776643036.db2.gz DMZNIJQJQCHHCU-VIFPVBQESA-N 0 3 279.300 -1.220 20 0 CAADHN O=C(NCC[NH2+]CCn1cncn1)c1cnc[n-]c1=O ZINC001130074073 776643074 /nfs/dbraw/zinc/64/30/74/776643074.db2.gz NBHIRLRILUDTTM-UHFFFAOYSA-N 0 3 277.288 -1.207 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)COCc1ccnn1C ZINC001130121947 776643725 /nfs/dbraw/zinc/64/37/25/776643725.db2.gz HPGGBGGYXSWKRE-JTQLQIEISA-N 0 3 297.359 -1.223 20 0 CAADHN Cc1nn[nH]c1C(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090483000 776644003 /nfs/dbraw/zinc/64/40/03/776644003.db2.gz PAHVHNCUYGZNKX-ZJUUUORDSA-N 0 3 283.332 -1.339 20 0 CAADHN C[C@]1(C(=O)NCCN[C@@H]2CCCNC2=O)CCNC(=O)C1 ZINC001130203654 776644148 /nfs/dbraw/zinc/64/41/48/776644148.db2.gz RTQGHHXMZGLKDF-YGRLFVJLSA-N 0 3 296.371 -1.113 20 0 CAADHN CC[C@@H](NCCNC(=O)COCc1ccnn1C)C(N)=O ZINC001130121955 776644155 /nfs/dbraw/zinc/64/41/55/776644155.db2.gz HYNMZYBCAZZCMP-LLVKDONJSA-N 0 3 297.359 -1.094 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130182531 776644174 /nfs/dbraw/zinc/64/41/74/776644174.db2.gz LXXKOAGAQSUZTG-GMTAPVOTSA-N 0 3 286.376 -1.454 20 0 CAADHN CO[C@@H]1CCn2cc(C(=O)NCCNCC(N)=O)nc2C1 ZINC001130163249 776644432 /nfs/dbraw/zinc/64/44/32/776644432.db2.gz QSAGNUXHNMSPHB-SECBINFHSA-N 0 3 295.343 -1.351 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130180802 776644863 /nfs/dbraw/zinc/64/48/63/776644863.db2.gz ZOOMXAWRMIQEIW-GHMZBOCLSA-N 0 3 286.376 -1.453 20 0 CAADHN CC[C@H](C(=O)NCCNCc1nnnn1C)N(C)C ZINC001130197357 776645190 /nfs/dbraw/zinc/64/51/90/776645190.db2.gz HBTGPEJQNXAQLN-SECBINFHSA-N 0 3 269.353 -1.244 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130203667 776645269 /nfs/dbraw/zinc/64/52/69/776645269.db2.gz SMHWEDIHVZLVNL-CYBMUJFWSA-N 0 3 284.360 -1.255 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001130182595 776645285 /nfs/dbraw/zinc/64/52/85/776645285.db2.gz OPBKZKLUWGTWGD-NXEZZACHSA-N 0 3 272.349 -1.843 20 0 CAADHN C[C@@H]1CN(C)C[C@H](C(=O)NCCNCc2cnnn2C)O1 ZINC001130180286 776645341 /nfs/dbraw/zinc/64/53/41/776645341.db2.gz KZJSRJHOQJFULW-ZYHUDNBSSA-N 0 3 296.375 -1.260 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130205706 776646130 /nfs/dbraw/zinc/64/61/30/776646130.db2.gz SWWRRXBBKQJSIS-ZANVPECISA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NCCNC(=O)COCc1cc[nH]c(=O)c1)C(N)=O ZINC001130217222 776646192 /nfs/dbraw/zinc/64/61/92/776646192.db2.gz UNYJMMPBBFLFRQ-SECBINFHSA-N 0 3 296.327 -1.117 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@]2(C)CCNC(=O)C2)C1=O ZINC001130208120 776646545 /nfs/dbraw/zinc/64/65/45/776646545.db2.gz DEPLTWSCCHLKNQ-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NC2CC2)CCNC(=O)C1 ZINC001130200081 776646771 /nfs/dbraw/zinc/64/67/71/776646771.db2.gz DBWYDNKSIZADSY-CQSZACIVSA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)N2CCC2)CCNC(=O)C1 ZINC001130201167 776646783 /nfs/dbraw/zinc/64/67/83/776646783.db2.gz XAASJNVBIKDVIY-AWEZNQCLSA-N 0 3 296.371 -1.159 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001130200010 776646875 /nfs/dbraw/zinc/64/68/75/776646875.db2.gz AYLPRCJBVOXKPE-LBPRGKRZSA-N 0 3 270.333 -1.646 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001130205705 776646915 /nfs/dbraw/zinc/64/69/15/776646915.db2.gz SWWRRXBBKQJSIS-TVQRCGJNSA-N 0 3 284.360 -1.257 20 0 CAADHN COc1ccc(COCC(=O)NCCNCC(N)=O)cn1 ZINC001130214225 776647073 /nfs/dbraw/zinc/64/70/73/776647073.db2.gz HXQNRUOWLCSUHV-UHFFFAOYSA-N 0 3 296.327 -1.202 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934991 776648115 /nfs/dbraw/zinc/64/81/15/776648115.db2.gz PZRBWCNVCAJGCJ-GDPRMGEGSA-N 0 3 268.317 -1.519 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157934991 776648120 /nfs/dbraw/zinc/64/81/20/776648120.db2.gz PZRBWCNVCAJGCJ-GDPRMGEGSA-N 0 3 268.317 -1.519 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCNCC(F)(F)C1 ZINC001157937011 776648585 /nfs/dbraw/zinc/64/85/85/776648585.db2.gz MMGIFKNFDXWHIP-VIFPVBQESA-N 0 3 290.314 -1.616 20 0 CAADHN C[C@H](NCCNC(=O)Cc1ccc(C(N)=O)nc1)C(N)=O ZINC001130253390 776648752 /nfs/dbraw/zinc/64/87/52/776648752.db2.gz VAQOAIAFFUVPAD-QMMMGPOBSA-N 0 3 293.327 -1.697 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1ccc(C(N)=O)nc1)C(N)=O ZINC001130253389 776649153 /nfs/dbraw/zinc/64/91/53/776649153.db2.gz VAQOAIAFFUVPAD-MRVPVSSYSA-N 0 3 293.327 -1.697 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157935001 776649163 /nfs/dbraw/zinc/64/91/63/776649163.db2.gz QAFWHHHXKUOAEY-IVZWLZJFSA-N 0 3 288.348 -2.036 20 0 CAADHN CS(=O)(=O)CCC(=O)NCCN[C@@H]1CCCNC1=O ZINC001130327032 776650583 /nfs/dbraw/zinc/65/05/83/776650583.db2.gz IQXJKLQAIJAOQR-SECBINFHSA-N 0 3 291.373 -1.595 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)S(C)(=O)=O)C(=O)N(C)C ZINC001130329892 776651205 /nfs/dbraw/zinc/65/12/05/776651205.db2.gz DPHFCUUGVULNAJ-BDAKNGLRSA-N 0 3 293.389 -1.398 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H](C)C(=O)N(C)C)S(C)(=O)=O ZINC001130329893 776651861 /nfs/dbraw/zinc/65/18/61/776651861.db2.gz DPHFCUUGVULNAJ-DTWKUNHWSA-N 0 3 293.389 -1.398 20 0 CAADHN CC[C@@H](NCCNC(=O)CCS(C)(=O)=O)C(N)=O ZINC001130333728 776652015 /nfs/dbraw/zinc/65/20/15/776652015.db2.gz KREYKNJPABWZPI-MRVPVSSYSA-N 0 3 279.362 -1.609 20 0 CAADHN COCCS(=O)(=O)CC(=O)NCCN[C@@H](C)C(N)=O ZINC001130335166 776652215 /nfs/dbraw/zinc/65/22/15/776652215.db2.gz JJWFDUAQRHMNRT-QMMMGPOBSA-N 0 3 295.361 -2.373 20 0 CAADHN C[C@H](C(=O)NCCN[C@@H]1CCCNC1=O)S(C)(=O)=O ZINC001130327384 776652341 /nfs/dbraw/zinc/65/23/41/776652341.db2.gz WCOHAFSVBXWAKC-RKDXNWHRSA-N 0 3 291.373 -1.596 20 0 CAADHN C[C@H](NCCNC(=O)CCS(C)(=O)=O)C(=O)N(C)C ZINC001130333679 776652350 /nfs/dbraw/zinc/65/23/50/776652350.db2.gz IFAXLNKISWUABA-VIFPVBQESA-N 0 3 293.389 -1.396 20 0 CAADHN CN1CC[C@H](C(=O)NCCNCC(=O)N2CCC2)CC1=O ZINC001130362318 776652369 /nfs/dbraw/zinc/65/23/69/776652369.db2.gz NZLBZVYPURAFOI-NSHDSACASA-N 0 3 296.371 -1.207 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@H]2CCCNC2=O)CC1=O ZINC001130364607 776652602 /nfs/dbraw/zinc/65/26/02/776652602.db2.gz RIGVDKHXHBJJHO-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001130364153 776652609 /nfs/dbraw/zinc/65/26/09/776652609.db2.gz LODNPNTWZLXPRI-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN CN1CC[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)CC1=O ZINC001130364605 776652812 /nfs/dbraw/zinc/65/28/12/776652812.db2.gz RIGVDKHXHBJJHO-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN Cn1ccc(C(=O)NCCNCC(=O)N2CCC2)cc1=O ZINC001130375825 776653225 /nfs/dbraw/zinc/65/32/25/776653225.db2.gz NPUGRCCXXIOPSG-UHFFFAOYSA-N 0 3 292.339 -1.063 20 0 CAADHN Cn1ccc(C(=O)NCCNCC(=O)NC(N)=O)cc1=O ZINC001130375673 776653370 /nfs/dbraw/zinc/65/33/70/776653370.db2.gz JLKAMCFKNQPBTN-UHFFFAOYSA-N 0 3 295.299 -2.100 20 0 CAADHN Cn1ccc(C(=O)NCCN[C@H]2CCNC2=O)cc1=O ZINC001130379389 776653455 /nfs/dbraw/zinc/65/34/55/776653455.db2.gz ZVVBDSPPDMDPBV-JTQLQIEISA-N 0 3 278.312 -1.407 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001130363643 776653459 /nfs/dbraw/zinc/65/34/59/776653459.db2.gz BCRKVDUENOMUDE-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccn(C)c(=O)c1 ZINC001130374303 776653465 /nfs/dbraw/zinc/65/34/65/776653465.db2.gz NOJVULRAIRQOGE-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN Cn1ccc(C(=O)NCCNCC(=O)NC2CC2)cc1=O ZINC001130378976 776653575 /nfs/dbraw/zinc/65/35/75/776653575.db2.gz CYKQMSCHSZSDFY-UHFFFAOYSA-N 0 3 292.339 -1.017 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@H]2CCNC2=O)CC1=O ZINC001130364622 776653598 /nfs/dbraw/zinc/65/35/98/776653598.db2.gz RQIIVHYPKLQBLK-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@]1(CO)CN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC[C@@H]1O ZINC001157946492 776654441 /nfs/dbraw/zinc/65/44/41/776654441.db2.gz NWLCRXVCWSQAFC-GVXVVHGQSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@@]1(CO)CN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC[C@@H]1O ZINC001157946492 776654447 /nfs/dbraw/zinc/65/44/47/776654447.db2.gz NWLCRXVCWSQAFC-GVXVVHGQSA-N 0 3 282.344 -1.129 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1ccc(F)cn1 ZINC001130394509 776654957 /nfs/dbraw/zinc/65/49/57/776654957.db2.gz BTBGODPCHAZJGS-UHFFFAOYSA-N 0 3 297.290 -1.336 20 0 CAADHN C[C@]1(CO)CN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC[C@H]1O ZINC001157946490 776655138 /nfs/dbraw/zinc/65/51/38/776655138.db2.gz NWLCRXVCWSQAFC-DMDPSCGWSA-N 0 3 282.344 -1.129 20 0 CAADHN C[C@]1(CO)CN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC[C@H]1O ZINC001157946490 776655141 /nfs/dbraw/zinc/65/51/41/776655141.db2.gz NWLCRXVCWSQAFC-DMDPSCGWSA-N 0 3 282.344 -1.129 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)CNC(C)=O ZINC001130381786 776655178 /nfs/dbraw/zinc/65/51/78/776655178.db2.gz MUCVXNBHDQCHSB-UHFFFAOYSA-N 0 3 287.320 -3.310 20 0 CAADHN CC(=O)NCC(=O)NCC(=O)NCCN[C@@H]1CCNC1=O ZINC001130381605 776655186 /nfs/dbraw/zinc/65/51/86/776655186.db2.gz DQKKDZUQBPGNQD-SECBINFHSA-N 0 3 299.331 -3.167 20 0 CAADHN CC[C@H](F)CNCCNC(=O)CNC(=O)CNC(C)=O ZINC001130385053 776655980 /nfs/dbraw/zinc/65/59/80/776655980.db2.gz XPKUWRGCLJXXBH-JTQLQIEISA-N 0 3 290.339 -1.307 20 0 CAADHN COc1ccc2ncc(C(=O)NCCNCC(N)=O)n2n1 ZINC001130434255 776656086 /nfs/dbraw/zinc/65/60/86/776656086.db2.gz JAOUANKKFREMHK-UHFFFAOYSA-N 0 3 292.299 -1.457 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCn2cncc2C1 ZINC001130400720 776656639 /nfs/dbraw/zinc/65/66/39/776656639.db2.gz FDVHCDVNDFKOKB-SNVBAGLBSA-N 0 3 279.344 -1.103 20 0 CAADHN CCOCC1(C(=O)NCCNCC(=O)NC(N)=O)CC1 ZINC001130413509 776656665 /nfs/dbraw/zinc/65/66/65/776656665.db2.gz ZMWMRJQAOMQSAZ-UHFFFAOYSA-N 0 3 286.332 -1.296 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001130441822 776656723 /nfs/dbraw/zinc/65/67/23/776656723.db2.gz JWIICVSLOMQNTJ-MRVPVSSYSA-N 0 3 296.331 -2.002 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCCn2nccc21 ZINC001130436787 776657283 /nfs/dbraw/zinc/65/72/83/776657283.db2.gz ARYXOFJHQLRORX-VIFPVBQESA-N 0 3 265.317 -1.048 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001130504904 776657354 /nfs/dbraw/zinc/65/73/54/776657354.db2.gz RFXKTQVGNXINLT-IUCAKERBSA-N 0 3 286.332 -1.427 20 0 CAADHN C[C@H]1C[C@H](C(=O)NCCNCC(=O)N2CCOCC2)CO1 ZINC001130503073 776657554 /nfs/dbraw/zinc/65/75/54/776657554.db2.gz FNVGBHSJDUVIHJ-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN Cc1nn[n-]c1C(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1O ZINC001090484759 776657758 /nfs/dbraw/zinc/65/77/58/776657758.db2.gz DBKWMQHIYIBMPI-DTWKUNHWSA-N 0 3 269.305 -1.730 20 0 CAADHN Cc1nn[n-]c1C(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1O ZINC001090484759 776657761 /nfs/dbraw/zinc/65/77/61/776657761.db2.gz DBKWMQHIYIBMPI-DTWKUNHWSA-N 0 3 269.305 -1.730 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCc2nccn2C1 ZINC001130477828 776657813 /nfs/dbraw/zinc/65/78/13/776657813.db2.gz LSYBYJQEENECTO-VIFPVBQESA-N 0 3 265.317 -1.363 20 0 CAADHN C[C@@H]1C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CO1 ZINC001130505484 776658082 /nfs/dbraw/zinc/65/80/82/776658082.db2.gz XSYMFQYAHASJEZ-HTQZYQBOSA-N 0 3 272.305 -1.688 20 0 CAADHN CO[C@@H]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001130499374 776658156 /nfs/dbraw/zinc/65/81/56/776658156.db2.gz DAYGGSOKNVTZOJ-DTWKUNHWSA-N 0 3 286.332 -1.298 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2nccn2C1 ZINC001130478338 776658204 /nfs/dbraw/zinc/65/82/04/776658204.db2.gz YISCQQBHGTZZDZ-SNVBAGLBSA-N 0 3 279.344 -1.103 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCc2cncn2C1 ZINC001130488600 776658215 /nfs/dbraw/zinc/65/82/15/776658215.db2.gz SEQVCSJFJMOYNM-VIFPVBQESA-N 0 3 265.317 -1.363 20 0 CAADHN C[C@@H]1C[C@H](C(=O)NCCNCC(=O)N2CCOCC2)CO1 ZINC001130503071 776658233 /nfs/dbraw/zinc/65/82/33/776658233.db2.gz FNVGBHSJDUVIHJ-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H]1C[C@H](C(=O)NCCNCCNS(C)(=O)=O)CO1 ZINC001130507298 776658276 /nfs/dbraw/zinc/65/82/76/776658276.db2.gz CRXRUFLMGRIROC-UWVGGRQHSA-N 0 3 293.389 -1.334 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCCn2nccc21 ZINC001130436786 776658294 /nfs/dbraw/zinc/65/82/94/776658294.db2.gz ARYXOFJHQLRORX-SECBINFHSA-N 0 3 265.317 -1.048 20 0 CAADHN C[C@]1(O)CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001157998302 776659079 /nfs/dbraw/zinc/65/90/79/776659079.db2.gz VSVPTRGYHQCFPG-ONGXEEELSA-N 0 3 255.318 -1.700 20 0 CAADHN CC[C@H](NCCNC(=O)CN1CCN(C)C(=O)C1)C(N)=O ZINC001130553265 776659258 /nfs/dbraw/zinc/65/92/58/776659258.db2.gz ATEBGRBBNHECLZ-JTQLQIEISA-N 0 3 299.375 -2.270 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCN(C)C(=O)C1)C(N)=O ZINC001130554132 776659357 /nfs/dbraw/zinc/65/93/57/776659357.db2.gz XHYSNUOLAZFKHG-VIFPVBQESA-N 0 3 285.348 -2.660 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCN(C)C(=O)C1)C(N)=O ZINC001130554131 776659410 /nfs/dbraw/zinc/65/94/10/776659410.db2.gz XHYSNUOLAZFKHG-SECBINFHSA-N 0 3 285.348 -2.660 20 0 CAADHN CC[C@@H](C)[C@@H](OC)C(=O)NCCNCC(=O)NC(N)=O ZINC001130514375 776659546 /nfs/dbraw/zinc/65/95/46/776659546.db2.gz BGIIIRKZGPWMNJ-PSASIEDQSA-N 0 3 288.348 -1.052 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130554135 776659631 /nfs/dbraw/zinc/65/96/31/776659631.db2.gz XJRVLCOEQDHREJ-JTQLQIEISA-N 0 3 299.375 -2.399 20 0 CAADHN CC[C@@H](C)[C@H](OC)C(=O)NCCNCC(=O)NC(N)=O ZINC001130514376 776659651 /nfs/dbraw/zinc/65/96/51/776659651.db2.gz BGIIIRKZGPWMNJ-SCZZXKLOSA-N 0 3 288.348 -1.052 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1CCN(C)C(=O)C1 ZINC001130553722 776659837 /nfs/dbraw/zinc/65/98/37/776659837.db2.gz NHVTWSGNULWKGW-UHFFFAOYSA-N 0 3 299.375 -2.446 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1ncn(C)c1=O)C(=O)N(C)C ZINC001130588020 776660492 /nfs/dbraw/zinc/66/04/92/776660492.db2.gz JYPSFFDUNIATAE-SECBINFHSA-N 0 3 298.347 -2.236 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1ncn(C)c1=O ZINC001130588385 776660736 /nfs/dbraw/zinc/66/07/36/776660736.db2.gz SWADFHKZJDDYPK-MRVPVSSYSA-N 0 3 284.320 -2.578 20 0 CAADHN Cn1cnn(CC(=O)NCCNCC(=O)NC(N)=O)c1=O ZINC001130588202 776660931 /nfs/dbraw/zinc/66/09/31/776660931.db2.gz PUYAULPPEWSXDP-UHFFFAOYSA-N 0 3 299.291 -3.518 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cn1ncn(C)c1=O ZINC001130588445 776660940 /nfs/dbraw/zinc/66/09/40/776660940.db2.gz VGTMMTBLQXGYNA-UHFFFAOYSA-N 0 3 284.320 -2.624 20 0 CAADHN Cn1cc(CNCCNC(=O)Cn2ncn(C)c2=O)cn1 ZINC001130590919 776662188 /nfs/dbraw/zinc/66/21/88/776662188.db2.gz MLZOADWTFLYEMG-UHFFFAOYSA-N 0 3 293.331 -1.779 20 0 CAADHN CCCNC(=O)CNCCNC(=O)Cn1ncn(C)c1=O ZINC001130588656 776662192 /nfs/dbraw/zinc/66/21/92/776662192.db2.gz YLDIOHCHTWPZGO-UHFFFAOYSA-N 0 3 298.347 -2.186 20 0 CAADHN Cn1cncc1CNCCNC(=O)Cn1ncn(C)c1=O ZINC001130590804 776662284 /nfs/dbraw/zinc/66/22/84/776662284.db2.gz IFMBXQGYJWRPKX-UHFFFAOYSA-N 0 3 293.331 -1.779 20 0 CAADHN Cn1cnn(CC(=O)NCCNCC(N)=O)c1=O ZINC001130593973 776662321 /nfs/dbraw/zinc/66/23/21/776662321.db2.gz JITHPHWPFSRFCB-UHFFFAOYSA-N 0 3 256.266 -3.227 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCNCC(=O)N1CCC1 ZINC001130611738 776662348 /nfs/dbraw/zinc/66/23/48/776662348.db2.gz HGCYOXCJALGZOD-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCNCC(N)=O ZINC001130611887 776662454 /nfs/dbraw/zinc/66/24/54/776662454.db2.gz JOORLQHYQQCMLC-VIFPVBQESA-N 0 3 258.322 -2.102 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001130611455 776662604 /nfs/dbraw/zinc/66/26/04/776662604.db2.gz BUMFNZVUBIOKEA-GHMZBOCLSA-N 0 3 284.360 -1.699 20 0 CAADHN Cn1cnn(CC(=O)NCCN[C@H]2CCNC2=O)c1=O ZINC001130594075 776662758 /nfs/dbraw/zinc/66/27/58/776662758.db2.gz OMOTZZMBPLXVJK-QMMMGPOBSA-N 0 3 282.304 -2.824 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001090488573 776663931 /nfs/dbraw/zinc/66/39/31/776663931.db2.gz FBUNLVIGFQZEMY-MNOVXSKESA-N 0 3 284.360 -2.011 20 0 CAADHN CCN1CCOC[C@@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001130615943 776664060 /nfs/dbraw/zinc/66/40/60/776664060.db2.gz WDCAMOFRGLALNI-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCNCC(=O)N(C)C ZINC001130612745 776664196 /nfs/dbraw/zinc/66/41/96/776664196.db2.gz XHFVADPPMGALAJ-NSHDSACASA-N 0 3 286.376 -1.499 20 0 CAADHN Cc1nnc2ccc(C(=O)NCCNCC(N)=O)cn12 ZINC001130639649 776664214 /nfs/dbraw/zinc/66/42/14/776664214.db2.gz DIFDUGLAVNMSJQ-UHFFFAOYSA-N 0 3 276.300 -1.158 20 0 CAADHN CCN1CCOC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC ZINC001130615930 776664319 /nfs/dbraw/zinc/66/43/19/776664319.db2.gz VWLAUMYDPMSFKU-QWRGUYRKSA-N 0 3 286.376 -1.453 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1COCCN1CC ZINC001130612580 776664500 /nfs/dbraw/zinc/66/45/00/776664500.db2.gz VPWZVYHFSZVCNA-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN C[C@H](NCCNC(=O)c1cc(CN(C)C)on1)C(N)=O ZINC001130645916 776665170 /nfs/dbraw/zinc/66/51/70/776665170.db2.gz XISPBXROBIHHFD-QMMMGPOBSA-N 0 3 283.332 -1.071 20 0 CAADHN COCCN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cn(C)cn1 ZINC001130659685 776665213 /nfs/dbraw/zinc/66/52/13/776665213.db2.gz UDLFNQUUMUGVFJ-GXSJLCMTSA-N 0 3 295.343 -1.564 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CC(=O)N[C@H](C)C1 ZINC001130670540 776665253 /nfs/dbraw/zinc/66/52/53/776665253.db2.gz OHFTUMOOYIOZBK-BDAKNGLRSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H]1C[C@@H](C(=O)NCCNCC(=O)N2CCC2)CC(=O)N1 ZINC001130669947 776665348 /nfs/dbraw/zinc/66/53/48/776665348.db2.gz HXWQHHNFLWZSFF-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H]1C[C@H](C(=O)NCCNCC(=O)NC2CC2)CC(=O)N1 ZINC001130670854 776665481 /nfs/dbraw/zinc/66/54/81/776665481.db2.gz TYPZNSYZXUOWNP-ZJUUUORDSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H]1C[C@@H](C(=O)NCCNCC(N)=O)CC(=O)N1 ZINC001130669112 776665817 /nfs/dbraw/zinc/66/58/17/776665817.db2.gz ASYVEFSWXRYIOE-HTQZYQBOSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CC(=O)N[C@H](C)C1 ZINC001130670543 776666063 /nfs/dbraw/zinc/66/60/63/776666063.db2.gz OHFTUMOOYIOZBK-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)NC2)C1=O ZINC001130705451 776666769 /nfs/dbraw/zinc/66/67/69/776666769.db2.gz DVLHXCRZWFMRSE-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCC(=O)NC1)C(N)=O ZINC001130706048 776666916 /nfs/dbraw/zinc/66/69/16/776666916.db2.gz SNGFAQGOWPOZOZ-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC(=O)NC1)C(=O)NC1CC1 ZINC001130705807 776667138 /nfs/dbraw/zinc/66/71/38/776667138.db2.gz MYNZPFKMVYXXBY-VHSXEESVSA-N 0 3 296.371 -1.115 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130702925 776667581 /nfs/dbraw/zinc/66/75/81/776667581.db2.gz YRRXVVFNNBYORT-SSDOTTSWSA-N 0 3 285.304 -2.587 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2CCC(=O)NC2)C1=O ZINC001130705998 776667605 /nfs/dbraw/zinc/66/76/05/776667605.db2.gz RLCMPAYZBFNJNU-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2CCC(=O)NC2)C1=O ZINC001130706000 776667661 /nfs/dbraw/zinc/66/76/61/776667661.db2.gz RLCMPAYZBFNJNU-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130705755 776667699 /nfs/dbraw/zinc/66/76/99/776667699.db2.gz LTUILSJPMAQQAJ-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CCC(=O)NC1)C1CC1 ZINC001130702642 776668182 /nfs/dbraw/zinc/66/81/82/776668182.db2.gz SAWOJERKDKBFAX-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130702355 776668226 /nfs/dbraw/zinc/66/82/26/776668226.db2.gz LOWOBAYROJUIFN-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1CCC(=O)NC1 ZINC001130702292 776668274 /nfs/dbraw/zinc/66/82/74/776668274.db2.gz KHADKGBKERZDBE-RKDXNWHRSA-N 0 3 296.327 -1.976 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC(=O)NC1)C(N)=O ZINC001130702275 776668308 /nfs/dbraw/zinc/66/83/08/776668308.db2.gz KASCNXWQNGNWEE-SFYZADRCSA-N 0 3 256.306 -1.908 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC(=O)NC1)C(N)=O ZINC001130702274 776668329 /nfs/dbraw/zinc/66/83/29/776668329.db2.gz KASCNXWQNGNWEE-JGVFFNPUSA-N 0 3 256.306 -1.908 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130701956 776668424 /nfs/dbraw/zinc/66/84/24/776668424.db2.gz BFSWULBRNIJETF-VIFPVBQESA-N 0 3 270.333 -1.646 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@@H]2CCC(=O)NC2)C1=O ZINC001130702650 776668440 /nfs/dbraw/zinc/66/84/40/776668440.db2.gz SCUOJBUACUKXIH-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130699816 776668495 /nfs/dbraw/zinc/66/84/95/776668495.db2.gz RZNZZCDMNADHNY-QMMMGPOBSA-N 0 3 256.306 -2.036 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1CCC(=O)NC1 ZINC001130702289 776668529 /nfs/dbraw/zinc/66/85/29/776668529.db2.gz KHADKGBKERZDBE-BDAKNGLRSA-N 0 3 296.327 -1.976 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC(=O)NC1 ZINC001130702646 776668584 /nfs/dbraw/zinc/66/85/84/776668584.db2.gz SBTIXJZOLITQDS-QMMMGPOBSA-N 0 3 299.331 -2.326 20 0 CAADHN COc1cc(C(=O)NCCNCC(N)=O)ccn1 ZINC001130710955 776668596 /nfs/dbraw/zinc/66/85/96/776668596.db2.gz JOZHCVMBSWKDNY-UHFFFAOYSA-N 0 3 252.274 -1.105 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCC(=O)NC1 ZINC001130702153 776668757 /nfs/dbraw/zinc/66/87/57/776668757.db2.gz GYOZXCPURUAVDJ-IUCAKERBSA-N 0 3 268.317 -1.893 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130701955 776669079 /nfs/dbraw/zinc/66/90/79/776669079.db2.gz BFSWULBRNIJETF-SECBINFHSA-N 0 3 270.333 -1.646 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCC(=O)NC1)N1CCC1 ZINC001130699249 776669124 /nfs/dbraw/zinc/66/91/24/776669124.db2.gz GFXTWUNPQGCFHM-JTQLQIEISA-N 0 3 282.344 -1.549 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H]1CCC(=O)NC1 ZINC001130702291 776669166 /nfs/dbraw/zinc/66/91/66/776669166.db2.gz KHADKGBKERZDBE-IUCAKERBSA-N 0 3 296.327 -1.976 20 0 CAADHN CCc1n[nH]cc1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001130726009 776669280 /nfs/dbraw/zinc/66/92/80/776669280.db2.gz QXFKKVIZEYUFOX-SSDOTTSWSA-N 0 3 296.331 -1.125 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001130702365 776669327 /nfs/dbraw/zinc/66/93/27/776669327.db2.gz MAFQGLAZPUNFPQ-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CCC(=O)NC1 ZINC001130702154 776669367 /nfs/dbraw/zinc/66/93/67/776669367.db2.gz GYOZXCPURUAVDJ-RKDXNWHRSA-N 0 3 268.317 -1.893 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCC(=O)NC1)N1CCC1 ZINC001130699251 776669379 /nfs/dbraw/zinc/66/93/79/776669379.db2.gz GFXTWUNPQGCFHM-SNVBAGLBSA-N 0 3 282.344 -1.549 20 0 CAADHN Cn1nnnc1CNCCNC(=O)c1[nH]nc2c1CCC2 ZINC001130738624 776670581 /nfs/dbraw/zinc/67/05/81/776670581.db2.gz MFNAFAVVFVDBSX-UHFFFAOYSA-N 0 3 290.331 -1.059 20 0 CAADHN CNC(=O)CNCCNC(=O)c1n[nH]c2c1CCC2 ZINC001130733860 776671204 /nfs/dbraw/zinc/67/12/04/776671204.db2.gz CAQVJMVPTBAENI-UHFFFAOYSA-N 0 3 265.317 -1.036 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1n[nH]c2c1CCC2 ZINC001130734327 776671346 /nfs/dbraw/zinc/67/13/46/776671346.db2.gz NDENKROUYQRDDW-UHFFFAOYSA-N 0 3 294.315 -1.587 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CN1CCCCC1=O ZINC001130759440 776673646 /nfs/dbraw/zinc/67/36/46/776673646.db2.gz SSWRPFHRMQAQFH-UHFFFAOYSA-N 0 3 299.331 -2.100 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1CCCCC1=O ZINC001130759516 776673704 /nfs/dbraw/zinc/67/37/04/776673704.db2.gz WSAXCLYIQREXBU-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1c(C)nc[nH]c1=O ZINC001130766534 776673804 /nfs/dbraw/zinc/67/38/04/776673804.db2.gz LQBMYXCALQOJOA-UHFFFAOYSA-N 0 3 295.343 -1.125 20 0 CAADHN O=C(CNCCNC(=O)CN1CCCNC1=O)NC1CC1 ZINC001130784206 776673968 /nfs/dbraw/zinc/67/39/68/776673968.db2.gz HPVKOHMMQNVBKY-UHFFFAOYSA-N 0 3 297.359 -1.614 20 0 CAADHN CCc1c(C(=O)NCCNCC(N)=O)cnn1C ZINC001130773576 776673981 /nfs/dbraw/zinc/67/39/81/776673981.db2.gz YMPADQXWAYXRLR-UHFFFAOYSA-N 0 3 253.306 -1.213 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccc(=O)n(C)c1)C(N)=O ZINC001130769233 776674010 /nfs/dbraw/zinc/67/40/10/776674010.db2.gz ZETLLAPPMSNXRV-SNVBAGLBSA-N 0 3 280.328 -1.031 20 0 CAADHN CCc1c(C(=O)NCCNCC(=O)NC(N)=O)cnn1C ZINC001130773361 776674019 /nfs/dbraw/zinc/67/40/19/776674019.db2.gz SPKNOCKQZCNZAS-UHFFFAOYSA-N 0 3 296.331 -1.503 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CN1CCCNC1=O ZINC001130784448 776674161 /nfs/dbraw/zinc/67/41/61/776674161.db2.gz SZUBRONMBAYYGX-UHFFFAOYSA-N 0 3 299.375 -1.366 20 0 CAADHN O=C(CN1CCCNC1=O)NCCN[C@H]1CCCNC1=O ZINC001130784185 776674231 /nfs/dbraw/zinc/67/42/31/776674231.db2.gz GWXJNBOTBIFBJZ-JTQLQIEISA-N 0 3 297.359 -1.614 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2ccc(=O)n(C)c2)C1=O ZINC001130768999 776674439 /nfs/dbraw/zinc/67/44/39/776674439.db2.gz NVMZJZWSSWHQMH-NSHDSACASA-N 0 3 292.339 -1.065 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cnn2c1OCCC2 ZINC001130835334 776675218 /nfs/dbraw/zinc/67/52/18/776675218.db2.gz QUWKZWQBSRVQAG-UHFFFAOYSA-N 0 3 281.316 -1.269 20 0 CAADHN C[C@H](NCCNC(=O)c1ccnc2c1CC(=O)N2)C(N)=O ZINC001130819240 776675760 /nfs/dbraw/zinc/67/57/60/776675760.db2.gz MVEACIALAASYJJ-ZETCQYMHSA-N 0 3 291.311 -1.231 20 0 CAADHN COc1cc(C(=O)NCCNCC(N)=O)cc(OC)n1 ZINC001130841146 776675802 /nfs/dbraw/zinc/67/58/02/776675802.db2.gz GPFCSOVQICXAPY-UHFFFAOYSA-N 0 3 282.300 -1.097 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn2c1OCCC2)C(N)=O ZINC001130837931 776676113 /nfs/dbraw/zinc/67/61/13/776676113.db2.gz LBIQXHHFBFAGQN-QMMMGPOBSA-N 0 3 281.316 -1.141 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccnc2c1CC(=O)N2 ZINC001130819245 776676172 /nfs/dbraw/zinc/67/61/72/776676172.db2.gz NEQXCGDLQNZAPJ-UHFFFAOYSA-N 0 3 277.284 -1.619 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnn2c1OCCC2 ZINC001130838089 776676216 /nfs/dbraw/zinc/67/62/16/776676216.db2.gz USHPILFYPYBBOE-UHFFFAOYSA-N 0 3 267.289 -1.530 20 0 CAADHN NC(=O)CNCCNC(=O)c1ncnc2[nH]ccc21 ZINC001130854954 776676228 /nfs/dbraw/zinc/67/62/28/776676228.db2.gz LSCPWPZBTZZAIZ-UHFFFAOYSA-N 0 3 262.273 -1.286 20 0 CAADHN Cc1nnccc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001130877498 776676824 /nfs/dbraw/zinc/67/68/24/776676824.db2.gz UMYADAGBFQVUEV-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cncn1C ZINC001130896575 776676837 /nfs/dbraw/zinc/67/68/37/776676837.db2.gz FNSRYROPEVPHMR-UHFFFAOYSA-N 0 3 282.304 -1.805 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cncn1C ZINC001130896826 776676919 /nfs/dbraw/zinc/67/69/19/776676919.db2.gz NBMTZFATJSNMMY-UHFFFAOYSA-N 0 3 253.306 -1.172 20 0 CAADHN CC[C@H](NCCNC(=O)c1cc(C(N)=O)cn1C)C(N)=O ZINC001130894473 776676931 /nfs/dbraw/zinc/67/69/31/776676931.db2.gz XSZDRIYMVQURHS-VIFPVBQESA-N 0 3 295.343 -1.293 20 0 CAADHN Cc1nnc(COCC(=O)NCCNCC(N)=O)s1 ZINC001130889414 776677231 /nfs/dbraw/zinc/67/72/31/776677231.db2.gz HTQKJROVDDAKLH-UHFFFAOYSA-N 0 3 287.345 -1.446 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cc(C(N)=O)cn1C ZINC001130893083 776677262 /nfs/dbraw/zinc/67/72/62/776677262.db2.gz AGRLSPXJJDOEDR-QMMMGPOBSA-N 0 3 295.343 -1.422 20 0 CAADHN Cc1nnccc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001130870442 776677731 /nfs/dbraw/zinc/67/77/31/776677731.db2.gz WGUGUXHRWGGPMC-JTQLQIEISA-N 0 3 291.311 -1.090 20 0 CAADHN Cn1cncc1C(=O)NCCNCCNS(C)(=O)=O ZINC001130900551 776678526 /nfs/dbraw/zinc/67/85/26/776678526.db2.gz HDCFPUBASFSWFC-UHFFFAOYSA-N 0 3 289.361 -1.711 20 0 CAADHN C[C@@H](NCCNC(=O)c1cc(C(N)=O)cn1C)C(N)=O ZINC001130892242 776678565 /nfs/dbraw/zinc/67/85/65/776678565.db2.gz TVWRPELDGXZSAT-SSDOTTSWSA-N 0 3 281.316 -1.683 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1ccc(=O)[nH]c1=O ZINC001130938495 776678602 /nfs/dbraw/zinc/67/86/02/776678602.db2.gz NMQGJRWFTIAMNJ-QMMMGPOBSA-N 0 3 297.315 -2.211 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cncn1C ZINC001130901466 776678796 /nfs/dbraw/zinc/67/87/96/776678796.db2.gz XSYQCTRMMSOQBS-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cncn1C ZINC001130897133 776678888 /nfs/dbraw/zinc/67/88/88/776678888.db2.gz WUMWVNJYKSUHOR-UHFFFAOYSA-N 0 3 253.306 -1.124 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cc(C(N)=O)cn1C ZINC001130892340 776678984 /nfs/dbraw/zinc/67/89/84/776678984.db2.gz XWJTVZHZLVEBMH-UHFFFAOYSA-N 0 3 295.343 -1.421 20 0 CAADHN NC(=O)CNCCNC(=O)c1cccc2ncnn21 ZINC001130906256 776679002 /nfs/dbraw/zinc/67/90/02/776679002.db2.gz JEQKPWWWPHGCQP-UHFFFAOYSA-N 0 3 262.273 -1.466 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cc(C(N)=O)cn1C ZINC001130892386 776679377 /nfs/dbraw/zinc/67/93/77/776679377.db2.gz ZVHFBZWEWVMKBJ-UHFFFAOYSA-N 0 3 295.343 -1.468 20 0 CAADHN CNC(=O)CNCCNC(=O)CCCCNC(N)=O ZINC001130958823 776680376 /nfs/dbraw/zinc/68/03/76/776680376.db2.gz UUYZMXCVBBEOOM-UHFFFAOYSA-N 0 3 273.337 -1.723 20 0 CAADHN NC(=O)NCCCCC(=O)NCCNCC(=O)N1CCC1 ZINC001130968037 776680511 /nfs/dbraw/zinc/68/05/11/776680511.db2.gz RRKNBSYTMJRAEM-UHFFFAOYSA-N 0 3 299.375 -1.237 20 0 CAADHN CC[C@@H](NCCNC(=O)CCCCNC(N)=O)C(N)=O ZINC001130958484 776680690 /nfs/dbraw/zinc/68/06/90/776680690.db2.gz FMAGXGOKDSKGPX-SECBINFHSA-N 0 3 287.364 -1.205 20 0 CAADHN C[C@H](NCCNC(=O)CCN1C(=O)CCC1=O)C(N)=O ZINC001130994647 776680718 /nfs/dbraw/zinc/68/07/18/776680718.db2.gz KXFIASCTACFRJY-QMMMGPOBSA-N 0 3 284.316 -1.895 20 0 CAADHN O=C(Cn1ccc(=O)[nH]c1=O)NCCN[C@H]1CCNC1=O ZINC001130944631 776680771 /nfs/dbraw/zinc/68/07/71/776680771.db2.gz UBADIJVKUPXONA-QMMMGPOBSA-N 0 3 295.299 -2.457 20 0 CAADHN CCc1nnsc1C(=O)NCCNCC(N)=O ZINC001130972367 776681023 /nfs/dbraw/zinc/68/10/23/776681023.db2.gz IXQUJFJHZSLQMH-UHFFFAOYSA-N 0 3 257.319 -1.095 20 0 CAADHN CC(=O)N1CCC[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001131014469 776681732 /nfs/dbraw/zinc/68/17/32/776681732.db2.gz XTFHHDJQPRUCJX-VXGBXAGGSA-N 0 3 296.371 -1.161 20 0 CAADHN NC(=O)N1CCC[C@H](C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001131011438 776681809 /nfs/dbraw/zinc/68/18/09/776681809.db2.gz YRHGRPXKLUOTJX-UWVGGRQHSA-N 0 3 297.359 -1.629 20 0 CAADHN CC[C@H](NCCNC(=O)CCN1C(=O)CCC1=O)C(N)=O ZINC001130998675 776681825 /nfs/dbraw/zinc/68/18/25/776681825.db2.gz WRESKKGHMFFOJQ-VIFPVBQESA-N 0 3 298.343 -1.505 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCS(=O)(=O)C1)C(N)=O ZINC001130998320 776681962 /nfs/dbraw/zinc/68/19/62/776681962.db2.gz ODIWMJYHHDFYGJ-RKDXNWHRSA-N 0 3 291.373 -1.609 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131011372 776681977 /nfs/dbraw/zinc/68/19/77/776681977.db2.gz WWJCWPYWTGWGDQ-QMMMGPOBSA-N 0 3 271.321 -2.032 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001131011371 776682027 /nfs/dbraw/zinc/68/20/27/776682027.db2.gz WWJCWPYWTGWGDQ-MRVPVSSYSA-N 0 3 271.321 -2.032 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCS(=O)(=O)C1)C(N)=O ZINC001130998318 776682074 /nfs/dbraw/zinc/68/20/74/776682074.db2.gz ODIWMJYHHDFYGJ-DTWKUNHWSA-N 0 3 291.373 -1.609 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001131025396 776682129 /nfs/dbraw/zinc/68/21/29/776682129.db2.gz NTPCHQKISJFEQR-ZJUUUORDSA-N 0 3 299.375 -1.383 20 0 CAADHN NC(=O)CNCCNC(=O)c1cnc2sccn2c1=O ZINC001131005426 776682216 /nfs/dbraw/zinc/68/22/16/776682216.db2.gz IXTWYRKBCNHEQL-UHFFFAOYSA-N 0 3 295.324 -1.439 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCN(C(N)=O)C1)C(N)=O ZINC001131010929 776682242 /nfs/dbraw/zinc/68/22/42/776682242.db2.gz IXGULCYIJVFNCH-BDAKNGLRSA-N 0 3 285.348 -1.643 20 0 CAADHN CC(=O)N1CCC[C@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001131013792 776682532 /nfs/dbraw/zinc/68/25/32/776682532.db2.gz FJRSGQHIPOCIQV-ONGXEEELSA-N 0 3 284.360 -1.176 20 0 CAADHN CC(=O)N[C@H](C(=O)NCCNCC(N)=O)C1CCCC1 ZINC001131083244 776683222 /nfs/dbraw/zinc/68/32/22/776683222.db2.gz QMVJMVWDXBCWTL-LBPRGKRZSA-N 0 3 284.360 -1.128 20 0 CAADHN COCCN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1c1cncn1C ZINC001131059897 776683280 /nfs/dbraw/zinc/68/32/80/776683280.db2.gz OIDXPLHMTMEUGN-NXEZZACHSA-N 0 3 295.343 -1.564 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCCC(=O)N1)C(N)=O ZINC001131097510 776683489 /nfs/dbraw/zinc/68/34/89/776683489.db2.gz PEQQTSYYPSPKEO-BDAKNGLRSA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(C(N)=O)o1)C(N)=O ZINC001131101563 776683517 /nfs/dbraw/zinc/68/35/17/776683517.db2.gz LHMGNAOXEUSMQA-LURJTMIESA-N 0 3 268.273 -1.428 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@@H]2CCCC(=O)N2)C1=O ZINC001131099009 776683568 /nfs/dbraw/zinc/68/35/68/776683568.db2.gz BOERUCKWBCBTFR-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCCC(=O)N1)C(N)=O ZINC001131097513 776684036 /nfs/dbraw/zinc/68/40/36/776684036.db2.gz PEQQTSYYPSPKEO-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCNCC(=O)N2CCC2)o1 ZINC001131100394 776684179 /nfs/dbraw/zinc/68/41/79/776684179.db2.gz UBMVMPFBDHVOIQ-UHFFFAOYSA-N 0 3 294.311 -1.070 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccc(C(N)=O)o1)C(N)=O ZINC001131107360 776684790 /nfs/dbraw/zinc/68/47/90/776684790.db2.gz QTAXBMBXAHQTGI-SSDOTTSWSA-N 0 3 282.300 -1.038 20 0 CAADHN COc1cnc(C(=O)NCCN[C@H]2CCNC2=O)nc1 ZINC001131124102 776685062 /nfs/dbraw/zinc/68/50/62/776685062.db2.gz OLXIGAJRAJQVFE-VIFPVBQESA-N 0 3 279.300 -1.307 20 0 CAADHN COc1cc(C(=O)NCCNCC(=O)N2CCC2)nn1C ZINC001131124900 776685110 /nfs/dbraw/zinc/68/51/10/776685110.db2.gz KVWPAAAXBSVTFP-UHFFFAOYSA-N 0 3 295.343 -1.020 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cc(OC)n(C)n1 ZINC001131127700 776685210 /nfs/dbraw/zinc/68/52/10/776685210.db2.gz ZDPICSFOFULMKD-MRVPVSSYSA-N 0 3 283.332 -1.117 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2ccc(C(N)=O)o2)C1=O ZINC001131107046 776685407 /nfs/dbraw/zinc/68/54/07/776685407.db2.gz GEQXGEWNHKPLMN-MRVPVSSYSA-N 0 3 294.311 -1.071 20 0 CAADHN Cn1nc(C(=O)NCCNCC(N)=O)cc1Cl ZINC001131116761 776685419 /nfs/dbraw/zinc/68/54/19/776685419.db2.gz UEUHEZVUVMRWBS-UHFFFAOYSA-N 0 3 259.697 -1.122 20 0 CAADHN COc1cnc(C(=O)NCCNCC(=O)NC(N)=O)nc1 ZINC001131123591 776685428 /nfs/dbraw/zinc/68/54/28/776685428.db2.gz FHEORJSWCNLEOQ-UHFFFAOYSA-N 0 3 296.287 -2.001 20 0 CAADHN COc1cc(C(=O)NCCN[C@@H](C)C(N)=O)nn1C ZINC001131127338 776685453 /nfs/dbraw/zinc/68/54/53/776685453.db2.gz IMJWXMYFLMCNGL-ZETCQYMHSA-N 0 3 269.305 -1.378 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccn(CCOC)n1 ZINC001131157605 776686420 /nfs/dbraw/zinc/68/64/20/776686420.db2.gz WVULNJXOJNKTBC-SNVBAGLBSA-N 0 3 297.359 -1.017 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1ccnc2n[nH]nc21 ZINC001131171379 776686446 /nfs/dbraw/zinc/68/64/46/776686446.db2.gz SCOUAKXHYPRYLE-QMMMGPOBSA-N 0 3 289.299 -1.439 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccn(CCOC)n1 ZINC001131153831 776686477 /nfs/dbraw/zinc/68/64/77/776686477.db2.gz YRWCIDUOIVQFGA-UHFFFAOYSA-N 0 3 297.359 -1.015 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccn(CCOC)n1 ZINC001131157604 776686486 /nfs/dbraw/zinc/68/64/86/776686486.db2.gz WVULNJXOJNKTBC-JTQLQIEISA-N 0 3 297.359 -1.017 20 0 CAADHN CNC(=O)CNCCNC(=O)COCc1ncc(C)o1 ZINC001131165142 776686496 /nfs/dbraw/zinc/68/64/96/776686496.db2.gz KXPUEVHQLNBTMG-UHFFFAOYSA-N 0 3 284.316 -1.049 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccnc2n[nH]nc21)C(N)=O ZINC001131173672 776686505 /nfs/dbraw/zinc/68/65/05/776686505.db2.gz VCNWNMLYGMZFOG-MRVPVSSYSA-N 0 3 291.315 -1.064 20 0 CAADHN C[C@H](NCCNC(=O)c1ccnc2n[nH]nc21)C(N)=O ZINC001131168564 776686610 /nfs/dbraw/zinc/68/66/10/776686610.db2.gz KVLUJFRFBZWKBQ-LURJTMIESA-N 0 3 277.288 -1.454 20 0 CAADHN COCCn1ccc(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001131153783 776686667 /nfs/dbraw/zinc/68/66/67/776686667.db2.gz WWQHWCPCBVOYHZ-SNVBAGLBSA-N 0 3 295.343 -1.263 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccnc2n[nH]nc21 ZINC001131168684 776686712 /nfs/dbraw/zinc/68/67/12/776686712.db2.gz QHWANQKYALAYQG-UHFFFAOYSA-N 0 3 291.315 -1.240 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cn(C)ccc2=O)C1=O ZINC001131162115 776686753 /nfs/dbraw/zinc/68/67/53/776686753.db2.gz RKUABNNQTOSTMX-LLVKDONJSA-N 0 3 292.339 -1.065 20 0 CAADHN Cn1ccc(=O)c(C(=O)NCCN[C@@H]2CCNC2=O)c1 ZINC001131162235 776686857 /nfs/dbraw/zinc/68/68/57/776686857.db2.gz WKJNEGWEJVPKSH-SNVBAGLBSA-N 0 3 278.312 -1.407 20 0 CAADHN CC[C@H](NCCNC(=O)c1cn(C)ccc1=O)C(N)=O ZINC001131161924 776686891 /nfs/dbraw/zinc/68/68/91/776686891.db2.gz JJUPHHBUYJPTNC-JTQLQIEISA-N 0 3 280.328 -1.031 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccnc2n[nH]nc21)C(N)=O ZINC001131168565 776686911 /nfs/dbraw/zinc/68/69/11/776686911.db2.gz KVLUJFRFBZWKBQ-ZCFIWIBFSA-N 0 3 277.288 -1.454 20 0 CAADHN COc1nccc(C(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001131187834 776687017 /nfs/dbraw/zinc/68/70/17/776687017.db2.gz COQURQAQGOQAAP-ZETCQYMHSA-N 0 3 267.289 -1.322 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)ccc1=O ZINC001131162160 776687030 /nfs/dbraw/zinc/68/70/30/776687030.db2.gz UCNUSVMMJUIZMG-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccc2nnnn2c1 ZINC001131279139 776687801 /nfs/dbraw/zinc/68/78/01/776687801.db2.gz YRRFAZPRVKFMLP-UHFFFAOYSA-N 0 3 291.315 -1.468 20 0 CAADHN Cc1cc(CC(=O)NCCNCC(N)=O)n(C)n1 ZINC001131284901 776687952 /nfs/dbraw/zinc/68/79/52/776687952.db2.gz PNYYGPLDIMRNGT-UHFFFAOYSA-N 0 3 253.306 -1.538 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc2nnnn2c1 ZINC001131275911 776687994 /nfs/dbraw/zinc/68/79/94/776687994.db2.gz QVADVZUQJMDRLD-UHFFFAOYSA-N 0 3 277.288 -1.810 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccc2nnnn2c1)C(N)=O ZINC001131279046 776688093 /nfs/dbraw/zinc/68/80/93/776688093.db2.gz UVHORDNHCSWEDD-SECBINFHSA-N 0 3 291.315 -1.292 20 0 CAADHN COCC1(C(=O)NCCNCC(=O)N2CCOCC2)CC1 ZINC001131311153 776688143 /nfs/dbraw/zinc/68/81/43/776688143.db2.gz PDSRXHDULBQBPK-UHFFFAOYSA-N 0 3 299.371 -1.022 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc2nnnn2c1 ZINC001131279153 776688368 /nfs/dbraw/zinc/68/83/68/776688368.db2.gz YYPAZZYZANVMNR-UHFFFAOYSA-N 0 3 263.261 -2.071 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cc2n(n1)CCCO2 ZINC001131181833 776688384 /nfs/dbraw/zinc/68/83/84/776688384.db2.gz LGGMMDCTFUFUOX-SECBINFHSA-N 0 3 293.327 -1.127 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1ccc2nnnn2c1 ZINC001131279056 776688461 /nfs/dbraw/zinc/68/84/61/776688461.db2.gz VIBNHSWLZORJMW-VIFPVBQESA-N 0 3 289.299 -1.668 20 0 CAADHN C[C@H](NCCNC(=O)c1cc2n(n1)CCCO2)C(N)=O ZINC001131181601 776688590 /nfs/dbraw/zinc/68/85/90/776688590.db2.gz AIPDDVRPVDDRBX-QMMMGPOBSA-N 0 3 281.316 -1.141 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1cc(C)nn1C ZINC001131281603 776688598 /nfs/dbraw/zinc/68/85/98/776688598.db2.gz JJLOUYVRMYCXMJ-UHFFFAOYSA-N 0 3 267.333 -1.277 20 0 CAADHN Cc1cc(CC(=O)NCCN[C@@H](C)C(N)=O)n(C)n1 ZINC001131287325 776688617 /nfs/dbraw/zinc/68/86/17/776688617.db2.gz RYFKGLFFMQFCBK-VIFPVBQESA-N 0 3 267.333 -1.149 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc2n(n1)CCCO2 ZINC001131181971 776688652 /nfs/dbraw/zinc/68/86/52/776688652.db2.gz REHJASUZGJAHRN-UHFFFAOYSA-N 0 3 281.316 -1.269 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1ccon1)C(=O)NC(N)=O ZINC001131347082 776689289 /nfs/dbraw/zinc/68/92/89/776689289.db2.gz OGSDEKCUZQRUQW-MRVPVSSYSA-N 0 3 297.315 -1.104 20 0 CAADHN COc1c[nH]c(C(=O)NCCN[C@H](C)C(N)=O)cc1=O ZINC001131360321 776689817 /nfs/dbraw/zinc/68/98/17/776689817.db2.gz AAESEBWTGYAIEX-SSDOTTSWSA-N 0 3 282.300 -1.423 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1cnc2nccn2c1 ZINC001131347273 776689856 /nfs/dbraw/zinc/68/98/56/776689856.db2.gz XJGIXJBIUMZNJL-SNVBAGLBSA-N 0 3 288.311 -1.063 20 0 CAADHN CC(C)N1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090500008 776689867 /nfs/dbraw/zinc/68/98/67/776689867.db2.gz LMZVUZLCKSLCIO-RKDXNWHRSA-N 0 3 268.321 -1.217 20 0 CAADHN C[C@H](NCCNC(=O)CCc1ccon1)C(=O)NC(N)=O ZINC001131347083 776689891 /nfs/dbraw/zinc/68/98/91/776689891.db2.gz OGSDEKCUZQRUQW-QMMMGPOBSA-N 0 3 297.315 -1.104 20 0 CAADHN COc1c[nH]c(C(=O)NCCN[C@H]2CCNC2=O)cc1=O ZINC001131360356 776689926 /nfs/dbraw/zinc/68/99/26/776689926.db2.gz AFBGLMUSOATCOA-QMMMGPOBSA-N 0 3 294.311 -1.409 20 0 CAADHN COc1coc(C(=O)NCCN[C@@H](C)C(N)=O)cc1=O ZINC001131357563 776689936 /nfs/dbraw/zinc/68/99/36/776689936.db2.gz BLLAABLCQKUJRU-ZETCQYMHSA-N 0 3 283.284 -1.158 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCc1ccon1 ZINC001131343167 776689957 /nfs/dbraw/zinc/68/99/57/776689957.db2.gz WBMXIWCFMFHKNH-UHFFFAOYSA-N 0 3 283.288 -1.492 20 0 CAADHN COc1c[nH]c(C(=O)NCCN[C@@H](C)C(N)=O)cc1=O ZINC001131360324 776690022 /nfs/dbraw/zinc/69/00/22/776690022.db2.gz AAESEBWTGYAIEX-ZETCQYMHSA-N 0 3 282.300 -1.423 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnc2nccn2c1)C(N)=O ZINC001131343239 776690047 /nfs/dbraw/zinc/69/00/47/776690047.db2.gz ZIJKPNYIKZPIOO-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CCC[C@@H](C(=O)NCCNCC(N)=O)S(N)(=O)=O ZINC001131777257 776701921 /nfs/dbraw/zinc/70/19/21/776701921.db2.gz GJUAYVNLOGFQCY-ZETCQYMHSA-N 0 3 280.350 -2.365 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCc2nncn2CC1)C(N)=O ZINC001131508620 776691089 /nfs/dbraw/zinc/69/10/89/776691089.db2.gz LGDZLFHDQJWBGW-UWVGGRQHSA-N 0 3 294.359 -1.190 20 0 CAADHN Cc1cncn1CC(=O)NCCN[C@H]1CCNC1=O ZINC001131380737 776691110 /nfs/dbraw/zinc/69/11/10/776691110.db2.gz YUCWWSCPCOXIGD-JTQLQIEISA-N 0 3 265.317 -1.214 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cc1ccc(=O)[nH]c1 ZINC001131453143 776691123 /nfs/dbraw/zinc/69/11/23/776691123.db2.gz DPHIOKKPBYTELB-UHFFFAOYSA-N 0 3 295.299 -1.770 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001131516539 776691442 /nfs/dbraw/zinc/69/14/42/776691442.db2.gz GEVYCPXFJLNHSN-BIIVNPBRSA-N 0 3 253.302 -1.399 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCc2nncn2CC1)C(N)=O ZINC001131508621 776691455 /nfs/dbraw/zinc/69/14/55/776691455.db2.gz LGDZLFHDQJWBGW-VHSXEESVSA-N 0 3 294.359 -1.190 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1ccc(=O)[nH]c1 ZINC001131453486 776691604 /nfs/dbraw/zinc/69/16/04/776691604.db2.gz PPBBUHBIRHPGHK-UHFFFAOYSA-N 0 3 266.301 -1.219 20 0 CAADHN Cc1cncn1CC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001131387627 776691709 /nfs/dbraw/zinc/69/17/09/776691709.db2.gz XHBWOWSLNKEGLU-VIFPVBQESA-N 0 3 296.331 -1.519 20 0 CAADHN Cc1cncn1CC(=O)NCCNCC(=O)N(C)C ZINC001131380701 776691876 /nfs/dbraw/zinc/69/18/76/776691876.db2.gz XIODLZXZRLHHFP-UHFFFAOYSA-N 0 3 267.333 -1.014 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCc2nncn2CC1 ZINC001131508337 776691959 /nfs/dbraw/zinc/69/19/59/776691959.db2.gz IGNDKHLNUUKTSX-SECBINFHSA-N 0 3 280.332 -1.578 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001131499848 776692006 /nfs/dbraw/zinc/69/20/06/776692006.db2.gz WJLUVVJTZMSZEP-ATZCPNFKSA-N 0 3 255.318 -1.007 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1ccc(=O)[nH]c1)C(N)=O ZINC001131453599 776692032 /nfs/dbraw/zinc/69/20/32/776692032.db2.gz SHEBWFFNMRMECB-MRVPVSSYSA-N 0 3 266.301 -1.091 20 0 CAADHN Cc1cncn1CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001131380375 776692049 /nfs/dbraw/zinc/69/20/49/776692049.db2.gz KDIULPHQUGSUOE-SNVBAGLBSA-N 0 3 293.327 -1.297 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1cnc2c1CCCC2 ZINC001131423941 776692214 /nfs/dbraw/zinc/69/22/14/776692214.db2.gz DSCLRTNCRNBMQE-UHFFFAOYSA-N 0 3 279.344 -1.047 20 0 CAADHN Cn1nnc2cc(C(=O)NCCNCC(N)=O)cnc21 ZINC001131459100 776692231 /nfs/dbraw/zinc/69/22/31/776692231.db2.gz RHNRZFWQTBIXPH-UHFFFAOYSA-N 0 3 277.288 -1.832 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCc2nncn2CC1 ZINC001131508338 776692303 /nfs/dbraw/zinc/69/23/03/776692303.db2.gz IGNDKHLNUUKTSX-VIFPVBQESA-N 0 3 280.332 -1.578 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cn1cncc1C ZINC001131380202 776692445 /nfs/dbraw/zinc/69/24/45/776692445.db2.gz GSEHEYXIPWVBMH-UHFFFAOYSA-N 0 3 296.331 -1.647 20 0 CAADHN C[C@H](Nc1nn(C)c(=O)n(C)c1=O)[C@@H]1CNCCO1 ZINC001170569116 776692968 /nfs/dbraw/zinc/69/29/68/776692968.db2.gz IAJYTXJYXZWKJM-YUMQZZPRSA-N 0 3 269.305 -1.732 20 0 CAADHN C[C@@H]1CO[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001131526592 776693439 /nfs/dbraw/zinc/69/34/39/776693439.db2.gz ATGUOIQCHOMHDU-JGVFFNPUSA-N 0 3 272.305 -1.688 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)c(=O)cn1 ZINC001131538510 776693460 /nfs/dbraw/zinc/69/34/60/776693460.db2.gz CPRKJPOEPHDDFB-MRVPVSSYSA-N 0 3 281.316 -1.766 20 0 CAADHN C[C@@H]1CO[C@@H](C(=O)NCCNCCNS(C)(=O)=O)C1 ZINC001131531690 776693651 /nfs/dbraw/zinc/69/36/51/776693651.db2.gz ZSWLIIIYNNOZLO-VHSXEESVSA-N 0 3 293.389 -1.334 20 0 CAADHN C[C@@H](Nc1nn(C)c(=O)n(C)c1=O)[C@@H]1CNCCO1 ZINC001170569115 776693665 /nfs/dbraw/zinc/69/36/65/776693665.db2.gz IAJYTXJYXZWKJM-SFYZADRCSA-N 0 3 269.305 -1.732 20 0 CAADHN C[C@H]1CO[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001131526593 776693896 /nfs/dbraw/zinc/69/38/96/776693896.db2.gz ATGUOIQCHOMHDU-SFYZADRCSA-N 0 3 272.305 -1.688 20 0 CAADHN C[C@@H](Nc1nn(C)c(=O)n(C)c1=O)[C@H]1CNCCO1 ZINC001170569109 776694093 /nfs/dbraw/zinc/69/40/93/776694093.db2.gz IAJYTXJYXZWKJM-HTQZYQBOSA-N 0 3 269.305 -1.732 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)c(=O)cn1)C(N)=O ZINC001131540405 776694809 /nfs/dbraw/zinc/69/48/09/776694809.db2.gz ZBCBGMQYIRMXNP-SSDOTTSWSA-N 0 3 267.289 -2.027 20 0 CAADHN CC[C@H](NCCNC(=O)c1cn(C)c(=O)cn1)C(N)=O ZINC001131539283 776694864 /nfs/dbraw/zinc/69/48/64/776694864.db2.gz LBESNLNJURKANJ-QMMMGPOBSA-N 0 3 281.316 -1.636 20 0 CAADHN CCn1cc(CC(=O)NCCNCC(=O)N2CCC2)nn1 ZINC001131624201 776694874 /nfs/dbraw/zinc/69/48/74/776694874.db2.gz AFXCECVFSMFOTO-UHFFFAOYSA-N 0 3 294.359 -1.221 20 0 CAADHN CCn1cc(CC(=O)NCCN[C@H]2CCN(C)C2=O)nn1 ZINC001131624286 776695170 /nfs/dbraw/zinc/69/51/70/776695170.db2.gz DWOZLRBVNYYOKA-NSHDSACASA-N 0 3 294.359 -1.223 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001131566227 776695215 /nfs/dbraw/zinc/69/52/15/776695215.db2.gz QAVFKFPMPMLVMD-KOLCDFICSA-N 0 3 298.343 -1.298 20 0 CAADHN CCn1cc(CC(=O)NCCN[C@@H]2CCNC2=O)nn1 ZINC001131622221 776695337 /nfs/dbraw/zinc/69/53/37/776695337.db2.gz YSOQWJNOJFITOC-SNVBAGLBSA-N 0 3 280.332 -1.565 20 0 CAADHN Cc1nn(CC(=O)NCCNCC(N)=O)c2ncccc12 ZINC001131607202 776695480 /nfs/dbraw/zinc/69/54/80/776695480.db2.gz CBDVAOFJKFEOCL-UHFFFAOYSA-N 0 3 290.327 -1.069 20 0 CAADHN CCn1cc(CC(=O)NCCNCC(=O)NC(N)=O)nn1 ZINC001131625105 776695570 /nfs/dbraw/zinc/69/55/70/776695570.db2.gz XREJIDCUOVFLGJ-UHFFFAOYSA-N 0 3 297.319 -2.259 20 0 CAADHN CCn1cc(CC(=O)NCCNCC(=O)NC)nn1 ZINC001131622023 776695604 /nfs/dbraw/zinc/69/56/04/776695604.db2.gz PNKDLQLMAZNFKW-UHFFFAOYSA-N 0 3 268.321 -1.708 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cn(C)c(=O)cn2)C1=O ZINC001131539507 776695706 /nfs/dbraw/zinc/69/57/06/776695706.db2.gz NQPNEMYDFYJSAN-SECBINFHSA-N 0 3 293.327 -1.670 20 0 CAADHN CC(=O)NCC(=O)N1C[C@H](C)O[C@@]2(CCN(CCO)C2)C1 ZINC001131624103 776695747 /nfs/dbraw/zinc/69/57/47/776695747.db2.gz GPJBVIAYWUQHGB-SMDDNHRTSA-N 0 3 299.371 -1.193 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)O[C@]2(CCN(CCO)C2)C1 ZINC001131624102 776695868 /nfs/dbraw/zinc/69/58/68/776695868.db2.gz GPJBVIAYWUQHGB-RISCZKNCSA-N 0 3 299.371 -1.193 20 0 CAADHN C[C@H](NCCNC(=O)[C@@]1(C)CNC(=O)C1)C(=O)NC1CC1 ZINC001131680132 776696722 /nfs/dbraw/zinc/69/67/22/776696722.db2.gz DSDDAGRLRJYZJD-LKFCYVNXSA-N 0 3 296.371 -1.115 20 0 CAADHN CC[C@@H]1C[C@H](C(=O)NCCNCC(N)=O)CC(=O)N1 ZINC001131672282 776696823 /nfs/dbraw/zinc/69/68/23/776696823.db2.gz OWBCRTGEJMBWMI-DTWKUNHWSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001131644885 776696870 /nfs/dbraw/zinc/69/68/70/776696870.db2.gz LPVNECLBEILUHF-NOOOWODRSA-N 0 3 299.371 -1.122 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001131630472 776696904 /nfs/dbraw/zinc/69/69/04/776696904.db2.gz KBWINIDEWDDKBT-NXEZZACHSA-N 0 3 279.344 -1.025 20 0 CAADHN CC[C@H]1C[C@@H](C(=O)NCCNCC(N)=O)CC(=O)N1 ZINC001131672281 776696994 /nfs/dbraw/zinc/69/69/94/776696994.db2.gz OWBCRTGEJMBWMI-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN Cc1nc2n(n1)C[C@@H](C(=O)NCCNCC(N)=O)CC2 ZINC001131636001 776697075 /nfs/dbraw/zinc/69/70/75/776697075.db2.gz BZGRXLJVVBDJHQ-VIFPVBQESA-N 0 3 280.332 -1.660 20 0 CAADHN Cc1nc2n(n1)C[C@H](C(=O)NCCNCC(N)=O)CC2 ZINC001131635998 776697097 /nfs/dbraw/zinc/69/70/97/776697097.db2.gz BZGRXLJVVBDJHQ-SECBINFHSA-N 0 3 280.332 -1.660 20 0 CAADHN CC[C@@H]1C[C@@H](C(=O)NCCNCC(=O)NC)CC(=O)N1 ZINC001131672611 776697106 /nfs/dbraw/zinc/69/71/06/776697106.db2.gz XTWFCUXAXKADQA-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN Cn1ccnc1CCC(=O)NCCN[C@H]1CCNC1=O ZINC001131639810 776697213 /nfs/dbraw/zinc/69/72/13/776697213.db2.gz OWCBTHCXTHZXFD-JTQLQIEISA-N 0 3 279.344 -1.053 20 0 CAADHN CC[C@H]1C[C@H](C(=O)NCCNCC(N)=O)CC(=O)N1 ZINC001131672283 776697505 /nfs/dbraw/zinc/69/75/05/776697505.db2.gz OWBCRTGEJMBWMI-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN CC[C@@H]1C[C@@H](C(=O)NCCNCC(N)=O)CC(=O)N1 ZINC001131672284 776697554 /nfs/dbraw/zinc/69/75/54/776697554.db2.gz OWBCRTGEJMBWMI-RKDXNWHRSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CNC(=O)C1 ZINC001131685795 776698571 /nfs/dbraw/zinc/69/85/71/776698571.db2.gz YSPLYGYTHAYNMA-OQPBUACISA-N 0 3 296.327 -1.976 20 0 CAADHN C[C@]1(C(=O)NCCN[C@@H]2CCNC2=O)CNC(=O)C1 ZINC001131684966 776698664 /nfs/dbraw/zinc/69/86/64/776698664.db2.gz PWSWUKYQIDIFCQ-PRHODGIISA-N 0 3 268.317 -1.893 20 0 CAADHN CC[C@H](NCCNC(=O)[C@]1(C)CNC(=O)C1)C(N)=O ZINC001131689108 776698683 /nfs/dbraw/zinc/69/86/83/776698683.db2.gz AOOMKFYMRAHMPK-UFBFGSQYSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCNC2=O)CNC(=O)C1 ZINC001131684965 776699345 /nfs/dbraw/zinc/69/93/45/776699345.db2.gz PWSWUKYQIDIFCQ-PELKAZGASA-N 0 3 268.317 -1.893 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@]2(C)CNC(=O)C2)C1=O ZINC001131684580 776698961 /nfs/dbraw/zinc/69/89/61/776698961.db2.gz IPOMGEYXKLMMTE-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@]2(C)CNC(=O)C2)C1=O ZINC001131689866 776699034 /nfs/dbraw/zinc/69/90/34/776699034.db2.gz MNOIGSKQORRUEW-ZANVPECISA-N 0 3 282.344 -1.551 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@]2(C)CNC(=O)C2)C1=O ZINC001131684577 776699049 /nfs/dbraw/zinc/69/90/49/776699049.db2.gz IPOMGEYXKLMMTE-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN Cc1noc(CCC(=O)NCCNCC(N)=O)n1 ZINC001132116261 776712630 /nfs/dbraw/zinc/71/26/30/776712630.db2.gz YPTUEIZPWBZMJM-UHFFFAOYSA-N 0 3 255.278 -1.498 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(C)CNC(=O)C1 ZINC001131689098 776699207 /nfs/dbraw/zinc/69/92/07/776699207.db2.gz AMOVAIXRUXRVAG-PRHODGIISA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@]1(C)CNC(=O)C1)C(=O)NC(N)=O ZINC001131680611 776699232 /nfs/dbraw/zinc/69/92/32/776699232.db2.gz NHUMIAAIDIXJLE-JMCQJSRRSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@]1(C(=O)NCCN[C@H]2CCCNC2=O)CNC(=O)C1 ZINC001131684971 776699281 /nfs/dbraw/zinc/69/92/81/776699281.db2.gz PXEAVFGBPDMFRM-TVQRCGJNSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@H](NCCNC(=O)[C@@]1(C)CNC(=O)C1)C(=O)NC(N)=O ZINC001131680612 776699423 /nfs/dbraw/zinc/69/94/23/776699423.db2.gz NHUMIAAIDIXJLE-JVXZTZIISA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCCNC2=O)CNC(=O)C1 ZINC001131684972 776699473 /nfs/dbraw/zinc/69/94/73/776699473.db2.gz PXEAVFGBPDMFRM-ZANVPECISA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)N2CCC2)CNC(=O)C1 ZINC001131676899 776700070 /nfs/dbraw/zinc/70/00/70/776700070.db2.gz NHBWNPNKSAWXPJ-ZDUSSCGKSA-N 0 3 282.344 -1.549 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@]1(C)CNC(=O)C1 ZINC001131677494 776700332 /nfs/dbraw/zinc/70/03/32/776700332.db2.gz UDEWKXQWQCGJMQ-NSHDSACASA-N 0 3 256.306 -2.036 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@]1(C)CNC(=O)C1)C1CC1 ZINC001131676832 776700452 /nfs/dbraw/zinc/70/04/52/776700452.db2.gz LVBHFRPMRUKCDR-AWEZNQCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NCC2CC2)CNC(=O)C1 ZINC001131675633 776700784 /nfs/dbraw/zinc/70/07/84/776700784.db2.gz BCADNYMBELMTBB-AWEZNQCLSA-N 0 3 296.371 -1.255 20 0 CAADHN COCC(C)(C)CC(=O)NCCNCC(=O)NC(N)=O ZINC001131728322 776701069 /nfs/dbraw/zinc/70/10/69/776701069.db2.gz ZHVAUHPVTXVROV-UHFFFAOYSA-N 0 3 288.348 -1.050 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCn1ncn(C)c1=O ZINC001131765898 776701633 /nfs/dbraw/zinc/70/16/33/776701633.db2.gz PQYATDWEPMPJPG-UHFFFAOYSA-N 0 3 298.347 -2.186 20 0 CAADHN O=C(COCC(F)F)NCCN[C@@H]1CCC(=O)NC1=O ZINC001131765539 776701652 /nfs/dbraw/zinc/70/16/52/776701652.db2.gz AIIKTSWQHWXPGD-SSDOTTSWSA-N 0 3 293.270 -1.221 20 0 CAADHN C[C@@H](NCCNC(=O)COCC(F)F)C(N)=O ZINC001131765969 776701810 /nfs/dbraw/zinc/70/18/10/776701810.db2.gz SZLGRVWTNISGHS-ZCFIWIBFSA-N 0 3 253.249 -1.152 20 0 CAADHN C[C@@H]1CC[C@@H](NC(=O)CNC(N)=O)CN1CCO ZINC001131792775 776702277 /nfs/dbraw/zinc/70/22/77/776702277.db2.gz MTLDIYXQBUPGPQ-RKDXNWHRSA-N 0 3 258.322 -1.384 20 0 CAADHN CCC[C@@H](C(=O)NCCN[C@H](C)C(N)=O)S(N)(=O)=O ZINC001131777555 776702674 /nfs/dbraw/zinc/70/26/74/776702674.db2.gz OBIAZQKFPFCXOA-SFYZADRCSA-N 0 3 294.377 -1.977 20 0 CAADHN CC[C@@H](NCCNC(=O)CCn1ncn(C)c1=O)C(N)=O ZINC001131769543 776702698 /nfs/dbraw/zinc/70/26/98/776702698.db2.gz XHZSQDVIYRIQQU-SECBINFHSA-N 0 3 298.347 -2.058 20 0 CAADHN C[C@@H](NCCNC(=O)COCC(F)F)C(=O)NC(N)=O ZINC001131772013 776702716 /nfs/dbraw/zinc/70/27/16/776702716.db2.gz PYXAHHDXMDZFPZ-ZCFIWIBFSA-N 0 3 296.274 -1.443 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)CNC(N)=O)CN1CCO ZINC001131792773 776702757 /nfs/dbraw/zinc/70/27/57/776702757.db2.gz MTLDIYXQBUPGPQ-DTWKUNHWSA-N 0 3 258.322 -1.384 20 0 CAADHN CNC(=O)CNCCNC(=O)CCn1ncn(C)c1=O ZINC001131763718 776702793 /nfs/dbraw/zinc/70/27/93/776702793.db2.gz ZMFAKAOSNOVOSG-UHFFFAOYSA-N 0 3 284.320 -2.576 20 0 CAADHN CCCCN1CCOC[C@H]1C(=O)NCCNCC(N)=O ZINC001131822882 776703351 /nfs/dbraw/zinc/70/33/51/776703351.db2.gz WWBZAMWLGFPNPK-NSHDSACASA-N 0 3 286.376 -1.322 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CCNC(=O)CC1 ZINC001131840436 776703858 /nfs/dbraw/zinc/70/38/58/776703858.db2.gz KLLHMRGVBLBSHS-UWVGGRQHSA-N 0 3 282.344 -1.503 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC(=O)CC1)NC1CC1 ZINC001131840682 776703946 /nfs/dbraw/zinc/70/39/46/776703946.db2.gz SQLZDKQTTPHCDT-JTQLQIEISA-N 0 3 296.371 -1.113 20 0 CAADHN NC(=O)c1cc(C(=O)NCCN[C@@H]2CCCNC2=O)co1 ZINC001131782715 776704033 /nfs/dbraw/zinc/70/40/33/776704033.db2.gz CFPVAAFWPNHTGT-SECBINFHSA-N 0 3 294.311 -1.024 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1coc(C(N)=O)c1 ZINC001131782892 776704077 /nfs/dbraw/zinc/70/40/77/776704077.db2.gz LCRNZAJPAALPHH-UHFFFAOYSA-N 0 3 282.300 -1.214 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1coc(C(N)=O)c1 ZINC001131782918 776704127 /nfs/dbraw/zinc/70/41/27/776704127.db2.gz MHSXOVSWMMKQNH-UHFFFAOYSA-N 0 3 282.300 -1.166 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@H]1CCNC(=O)CC1 ZINC001131844337 776704165 /nfs/dbraw/zinc/70/41/65/776704165.db2.gz FYKBBDWQIJRVDG-MNOVXSKESA-N 0 3 296.371 -1.113 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1COCCN1CC(F)F ZINC001131825455 776704322 /nfs/dbraw/zinc/70/43/22/776704322.db2.gz PKTMPOPKXXHWIK-MRVPVSSYSA-N 0 3 294.302 -1.857 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1COCCN1CC1CCC1 ZINC001131822493 776704431 /nfs/dbraw/zinc/70/44/31/776704431.db2.gz PRNWTRKQIMEVOP-GFCCVEGCSA-N 0 3 298.387 -1.322 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCNC(=O)CC1 ZINC001131840140 776704481 /nfs/dbraw/zinc/70/44/81/776704481.db2.gz AOFFVPIRUOCXQZ-MRVPVSSYSA-N 0 3 256.306 -1.906 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC(=O)CC1)N1CCC1 ZINC001131840748 776704507 /nfs/dbraw/zinc/70/45/07/776704507.db2.gz UWKWXHPTZZLISQ-NSHDSACASA-N 0 3 296.371 -1.159 20 0 CAADHN CC(C)n1cnc(C(=O)NCCNCC(=O)NC(N)=O)c1 ZINC001131813124 776704543 /nfs/dbraw/zinc/70/45/43/776704543.db2.gz TYOKUOWUNHYOFW-UHFFFAOYSA-N 0 3 296.331 -1.022 20 0 CAADHN CNC(=O)CNCCNC(=O)CCCCc1c[nH]nn1 ZINC001131777878 776704602 /nfs/dbraw/zinc/70/46/02/776704602.db2.gz XYEKTPJAKMEUPD-UHFFFAOYSA-N 0 3 282.348 -1.031 20 0 CAADHN CNC(=O)CNCCNC(=O)CNS(=O)(=O)NC ZINC001131828099 776705478 /nfs/dbraw/zinc/70/54/78/776705478.db2.gz CTRZOEURHZCWEN-UHFFFAOYSA-N 0 3 281.338 -3.508 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCNC(=O)CC1)C(N)=O ZINC001131845378 776705176 /nfs/dbraw/zinc/70/51/76/776705176.db2.gz YBZNRNWKHCCAET-NXEZZACHSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCNC(=O)CC1)C(N)=O ZINC001131844892 776705277 /nfs/dbraw/zinc/70/52/77/776705277.db2.gz OXCCHRDAEAQSLM-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN Cc1cn2nc(C(=O)NCCNCC(N)=O)cc2c(=O)[nH]1 ZINC001131835623 776705381 /nfs/dbraw/zinc/70/53/81/776705381.db2.gz ZZJNHLHDYQXNME-UHFFFAOYSA-N 0 3 292.299 -1.864 20 0 CAADHN CC[C@H](NCCNC(=O)CNS(=O)(=O)NC)C(N)=O ZINC001131831876 776705526 /nfs/dbraw/zinc/70/55/26/776705526.db2.gz TXOBDSWNLVNHLE-ZETCQYMHSA-N 0 3 295.365 -2.990 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCNC(=O)CC1)C(N)=O ZINC001131844896 776705783 /nfs/dbraw/zinc/70/57/83/776705783.db2.gz OXCCHRDAEAQSLM-IUCAKERBSA-N 0 3 270.333 -1.518 20 0 CAADHN CNS(=O)(=O)NCC(=O)NCCN[C@@H]1CCNC1=O ZINC001131831592 776706044 /nfs/dbraw/zinc/70/60/44/776706044.db2.gz IOBAKMQQYKEPAP-SSDOTTSWSA-N 0 3 293.349 -3.366 20 0 CAADHN CO[C@@H](C(=O)NCCNCC(=O)N(C)C)[C@H]1CCOC1 ZINC001131879915 776706658 /nfs/dbraw/zinc/70/66/58/776706658.db2.gz BVPGDVUFFXOVON-CMPLNLGQSA-N 0 3 287.360 -1.168 20 0 CAADHN CO[C@@H](C(=O)NCCNCC(=O)N(C)C)c1cnn(C)c1 ZINC001131877411 776706908 /nfs/dbraw/zinc/70/69/08/776706908.db2.gz DGYBRKWMYNAVSE-GFCCVEGCSA-N 0 3 297.359 -1.098 20 0 CAADHN CCO[C@@H](C(=O)NCCNCC(=O)NC)[C@H]1CCOC1 ZINC001131884310 776707061 /nfs/dbraw/zinc/70/70/61/776707061.db2.gz JYTAAOGINARGJH-CMPLNLGQSA-N 0 3 287.360 -1.120 20 0 CAADHN NC(=O)CNCCNC(=O)c1cncc(-n2ccnn2)c1 ZINC001131837046 776707112 /nfs/dbraw/zinc/70/71/12/776707112.db2.gz MHZAHGYJKGEKGE-UHFFFAOYSA-N 0 3 289.299 -1.533 20 0 CAADHN CO[C@@H](C(=O)NCCNCC(=O)N(C)C)[C@@H]1CCOC1 ZINC001131879918 776707143 /nfs/dbraw/zinc/70/71/43/776707143.db2.gz BVPGDVUFFXOVON-ZYHUDNBSSA-N 0 3 287.360 -1.168 20 0 CAADHN CO[C@@H](C(=O)NCCNCC(N)=O)[C@@H]1CCOC1 ZINC001131884140 776707260 /nfs/dbraw/zinc/70/72/60/776707260.db2.gz HFZWGBUGYRDJPV-PSASIEDQSA-N 0 3 259.306 -1.771 20 0 CAADHN CCO[C@H](C(=O)NCCNCC(N)=O)[C@@H]1CCOC1 ZINC001131888888 776707272 /nfs/dbraw/zinc/70/72/72/776707272.db2.gz DEYZFQGVRHBJKX-KOLCDFICSA-N 0 3 273.333 -1.381 20 0 CAADHN CCO[C@H](C(=O)NCCNCC(=O)NC)[C@@H]1CCOC1 ZINC001131884312 776707290 /nfs/dbraw/zinc/70/72/90/776707290.db2.gz JYTAAOGINARGJH-PWSUYJOCSA-N 0 3 287.360 -1.120 20 0 CAADHN CO[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)c1cnn(C)c1 ZINC001131877719 776707335 /nfs/dbraw/zinc/70/73/35/776707335.db2.gz LEGVGGIYHQZDHF-WCBMZHEXSA-N 0 3 283.332 -1.313 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001131884702 776707374 /nfs/dbraw/zinc/70/73/74/776707374.db2.gz QRUITAIJMWMFOK-PWSUYJOCSA-N 0 3 287.360 -1.120 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001131873665 776707635 /nfs/dbraw/zinc/70/76/35/776707635.db2.gz GMHFXUPIOKOWMV-NSHDSACASA-N 0 3 283.332 -1.441 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](OC)c1cnn(C)c1 ZINC001131873664 776707736 /nfs/dbraw/zinc/70/77/36/776707736.db2.gz GMHFXUPIOKOWMV-LLVKDONJSA-N 0 3 283.332 -1.441 20 0 CAADHN CO[C@H](C(=O)NCCNCC(=O)N(C)C)[C@@H]1CCOC1 ZINC001131879917 776707768 /nfs/dbraw/zinc/70/77/68/776707768.db2.gz BVPGDVUFFXOVON-PWSUYJOCSA-N 0 3 287.360 -1.168 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](OC)c1cnn(C)c1 ZINC001131877544 776707849 /nfs/dbraw/zinc/70/78/49/776707849.db2.gz HFQQILADTSQUCH-LBPRGKRZSA-N 0 3 297.359 -1.051 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@]1(COC)CCOC1 ZINC001131902111 776708336 /nfs/dbraw/zinc/70/83/36/776708336.db2.gz KITCKMRUVUJNPU-GWCFXTLKSA-N 0 3 287.360 -1.120 20 0 CAADHN COC[C@@]1(C(=O)NCCN[C@@H]2CCN(C)C2=O)CCOC1 ZINC001131905486 776708384 /nfs/dbraw/zinc/70/83/84/776708384.db2.gz RINIDFPBDZMCFM-RISCZKNCSA-N 0 3 299.371 -1.024 20 0 CAADHN NC(=O)CNCCNC(=O)c1c[nH]nc1[C@@H]1CCOC1 ZINC001131907394 776708448 /nfs/dbraw/zinc/70/84/48/776708448.db2.gz KCKIQXUDYKURQZ-MRVPVSSYSA-N 0 3 281.316 -1.282 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(COC)CCOC1 ZINC001131902114 776708512 /nfs/dbraw/zinc/70/85/12/776708512.db2.gz KITCKMRUVUJNPU-ZWNOBZJWSA-N 0 3 287.360 -1.120 20 0 CAADHN COC[C@]1(C(=O)NCCNCC(=O)N2CCC2)CCOC1 ZINC001131898296 776708684 /nfs/dbraw/zinc/70/86/84/776708684.db2.gz HVOBAEJBYCFJNZ-CQSZACIVSA-N 0 3 299.371 -1.022 20 0 CAADHN COc1nc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)co1 ZINC001131929154 776708978 /nfs/dbraw/zinc/70/89/78/776708978.db2.gz HAZZJMYPAGGPHY-LURJTMIESA-N 0 3 299.287 -1.414 20 0 CAADHN COC[C@]1(C(=O)NCCN[C@@H]2CCNC2=O)CCOC1 ZINC001131902072 776709157 /nfs/dbraw/zinc/70/91/57/776709157.db2.gz JMKVCXORIXELRR-ZWNOBZJWSA-N 0 3 285.344 -1.366 20 0 CAADHN COC[C@]1(C(=O)NCCNCC(=O)N(C)C)CCOC1 ZINC001131902033 776709363 /nfs/dbraw/zinc/70/93/63/776709363.db2.gz ITCMARQMUWUMMP-CYBMUJFWSA-N 0 3 287.360 -1.167 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](OC)[C@@H]1CCOC1 ZINC001131881443 776709380 /nfs/dbraw/zinc/70/93/80/776709380.db2.gz QZVYYOQYXUBFBI-MWLCHTKSSA-N 0 3 273.333 -1.510 20 0 CAADHN COC[C@@]1(C(=O)NCCN[C@@H]2CCNC2=O)CCOC1 ZINC001131902071 776709598 /nfs/dbraw/zinc/70/95/98/776709598.db2.gz JMKVCXORIXELRR-MFKMUULPSA-N 0 3 285.344 -1.366 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](OC)[C@@H]1CCOC1 ZINC001131881442 776709671 /nfs/dbraw/zinc/70/96/71/776709671.db2.gz QZVYYOQYXUBFBI-KOLCDFICSA-N 0 3 273.333 -1.510 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)c1cnco1 ZINC001132040708 776710948 /nfs/dbraw/zinc/71/09/48/776710948.db2.gz FREYVWIPECPFDV-UHFFFAOYSA-N 0 3 290.345 -1.067 20 0 CAADHN C[C@@H]1CC[C@H](NC(=O)CC(N)=O)CN1CCOCCO ZINC001131965793 776711107 /nfs/dbraw/zinc/71/11/07/776711107.db2.gz ZBGHMUHTGIMUMY-MNOVXSKESA-N 0 3 287.360 -1.160 20 0 CAADHN C[C@H]1CC[C@@H](NC(=O)CC(N)=O)CN1CCOCCO ZINC001131965795 776711267 /nfs/dbraw/zinc/71/12/67/776711267.db2.gz ZBGHMUHTGIMUMY-WDEREUQCSA-N 0 3 287.360 -1.160 20 0 CAADHN COc1nc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)co1 ZINC001131924819 776711716 /nfs/dbraw/zinc/71/17/16/776711716.db2.gz FUURMXYPBGEETG-SSDOTTSWSA-N 0 3 296.283 -1.192 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1cnco1 ZINC001132040665 776711790 /nfs/dbraw/zinc/71/17/90/776711790.db2.gz DDRPCNNWLMKEGZ-UHFFFAOYSA-N 0 3 276.318 -1.457 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)CC(N)=O)CN1CCOCCO ZINC001131965794 776711957 /nfs/dbraw/zinc/71/19/57/776711957.db2.gz ZBGHMUHTGIMUMY-QWRGUYRKSA-N 0 3 287.360 -1.160 20 0 CAADHN O=C(CNCCNC(=O)c1cnco1)N1CCOCC1 ZINC001132029659 776712441 /nfs/dbraw/zinc/71/24/41/776712441.db2.gz DOVTYGQIQLEING-UHFFFAOYSA-N 0 3 282.300 -1.147 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1nc(C)no1 ZINC001132116316 776712579 /nfs/dbraw/zinc/71/25/79/776712579.db2.gz ZUNGGXMYQUTHOJ-UHFFFAOYSA-N 0 3 269.305 -1.238 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cnco1 ZINC001132030341 776712793 /nfs/dbraw/zinc/71/27/93/776712793.db2.gz QQQOYSRXQRRPJD-UHFFFAOYSA-N 0 3 283.288 -1.160 20 0 CAADHN Cc1nn(C)c(C)c1C(=O)NCCNCC(N)=O ZINC001132049871 776713197 /nfs/dbraw/zinc/71/31/97/776713197.db2.gz RZGLVVDAZQVACD-UHFFFAOYSA-N 0 3 253.306 -1.158 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCn1ccnc1 ZINC001132079817 776713248 /nfs/dbraw/zinc/71/32/48/776713248.db2.gz OCZMJICJFKAORP-UHFFFAOYSA-N 0 3 282.304 -1.826 20 0 CAADHN C[C@H](NCCNC(=O)CCn1ccnc1)C(=O)NC(N)=O ZINC001132085258 776713279 /nfs/dbraw/zinc/71/32/79/776713279.db2.gz PPXDOSQXZDYFEP-VIFPVBQESA-N 0 3 296.331 -1.438 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001132129611 776713293 /nfs/dbraw/zinc/71/32/93/776713293.db2.gz XSNMMGUZDZDZOY-SECBINFHSA-N 0 3 286.376 -1.011 20 0 CAADHN O=C(CCn1ccnc1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001132081772 776713341 /nfs/dbraw/zinc/71/33/41/776713341.db2.gz DNZCUDFTYRIDJW-SNVBAGLBSA-N 0 3 293.327 -1.216 20 0 CAADHN Cc1noc(CCC(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001132115065 776713452 /nfs/dbraw/zinc/71/34/52/776713452.db2.gz LKCKKVKSUHEVDU-VIFPVBQESA-N 0 3 281.316 -1.095 20 0 CAADHN O=C(CCn1ccnc1)NCCN[C@H]1CCNC1=O ZINC001132079781 776713519 /nfs/dbraw/zinc/71/35/19/776713519.db2.gz MBVAXABJVIUMSR-JTQLQIEISA-N 0 3 265.317 -1.133 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1ccnc1)C(N)=O ZINC001132080006 776713810 /nfs/dbraw/zinc/71/38/10/776713810.db2.gz XALUICIMBPVRHT-SECBINFHSA-N 0 3 253.306 -1.147 20 0 CAADHN CNC(=O)CNCCNC(=O)CCn1ccnc1 ZINC001132079590 776713997 /nfs/dbraw/zinc/71/39/97/776713997.db2.gz CNJAJZBMWGFXPK-UHFFFAOYSA-N 0 3 253.306 -1.275 20 0 CAADHN Cn1[nH]c(CNCCNC(=O)CCn2ccnc2)nc1=O ZINC001132079857 776714234 /nfs/dbraw/zinc/71/42/34/776714234.db2.gz PSWQENPHTWBZEN-UHFFFAOYSA-N 0 3 293.331 -1.399 20 0 CAADHN CCCc1cc(C(=O)NCCNCC(=O)NC(N)=O)[nH]n1 ZINC001132165942 776714705 /nfs/dbraw/zinc/71/47/05/776714705.db2.gz KJDGVEDCATYSGA-UHFFFAOYSA-N 0 3 296.331 -1.124 20 0 CAADHN Cc1n[nH]cc1C(=O)NCCNCCNS(C)(=O)=O ZINC001132146792 776714879 /nfs/dbraw/zinc/71/48/79/776714879.db2.gz FBYAUEXLWVCIQL-UHFFFAOYSA-N 0 3 289.361 -1.413 20 0 CAADHN Cc1n[nH]cc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001132143348 776714954 /nfs/dbraw/zinc/71/49/54/776714954.db2.gz MHJVAVPFEXTFEP-SECBINFHSA-N 0 3 279.300 -1.157 20 0 CAADHN CCNC(=O)C[NH2+]CCNC(=O)c1[n-]nnc1C ZINC001132209830 776715186 /nfs/dbraw/zinc/71/51/86/776715186.db2.gz SZQGXBNMQJOQRY-UHFFFAOYSA-N 0 3 254.294 -1.431 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC[NH2+][C@H]1CCNC1=O ZINC001132209538 776715317 /nfs/dbraw/zinc/71/53/17/776715317.db2.gz FGMIRHAVIRCQNU-ZETCQYMHSA-N 0 3 252.278 -1.679 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1c[nH]nc1C ZINC001132147037 776715352 /nfs/dbraw/zinc/71/53/52/776715352.db2.gz PTPUVKCWEBCPRW-MRVPVSSYSA-N 0 3 296.331 -1.118 20 0 CAADHN COCCCNC(=O)C[NH2+]CCNC(=O)c1[n-]nnc1C ZINC001132209780 776715438 /nfs/dbraw/zinc/71/54/38/776715438.db2.gz QWCMXINNQAIINW-UHFFFAOYSA-N 0 3 298.347 -1.415 20 0 CAADHN Cc1nn[n-]c1C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001132215864 776715529 /nfs/dbraw/zinc/71/55/29/776715529.db2.gz PAGGQJVZMXCZIV-QMMMGPOBSA-N 0 3 266.305 -1.337 20 0 CAADHN Cc1n[nH]cc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001132147103 776715829 /nfs/dbraw/zinc/71/58/29/776715829.db2.gz RXSNXFSZQSWBAQ-ZETCQYMHSA-N 0 3 282.304 -1.379 20 0 CAADHN CNC(=O)NC(=O)C[NH2+]CCNC(=O)c1[n-]nnc1C ZINC001132209760 776715890 /nfs/dbraw/zinc/71/58/90/776715890.db2.gz PWNCPRYUFATKFL-UHFFFAOYSA-N 0 3 283.292 -2.112 20 0 CAADHN Cc1n[nH]cc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001132143349 776715975 /nfs/dbraw/zinc/71/59/75/776715975.db2.gz MHJVAVPFEXTFEP-VIFPVBQESA-N 0 3 279.300 -1.157 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1C ZINC001132256419 776717448 /nfs/dbraw/zinc/71/74/48/776717448.db2.gz ALLVLYLRJSYMRU-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN NC(=O)CNCCNC(=O)Cc1ccccc1C(N)=O ZINC001132236223 776717465 /nfs/dbraw/zinc/71/74/65/776717465.db2.gz BBYFAPMPBGFVFI-UHFFFAOYSA-N 0 3 278.312 -1.481 20 0 CAADHN CN1C(=O)CC[C@@H]1CC(=O)NCCNCC(=O)N1CCC1 ZINC001132256448 776717481 /nfs/dbraw/zinc/71/74/81/776717481.db2.gz BCMSYBMOPHXDEU-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CCOCCNC(=O)C[NH2+]CCNC(=O)c1[n-]nnc1C ZINC001132229068 776717917 /nfs/dbraw/zinc/71/79/17/776717917.db2.gz ACYBTDRUKFXIEU-UHFFFAOYSA-N 0 3 298.347 -1.415 20 0 CAADHN Cn1c(=O)[nH]cc(C(=O)NCCNCC(N)=O)c1=O ZINC001132242471 776718047 /nfs/dbraw/zinc/71/80/47/776718047.db2.gz OYTKVNPZOMVJIM-UHFFFAOYSA-N 0 3 269.261 -2.709 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1C ZINC001132257129 776718635 /nfs/dbraw/zinc/71/86/35/776718635.db2.gz IFRVNAPDWUTESV-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCC(=O)N1C)C(N)=O ZINC001132258209 776719029 /nfs/dbraw/zinc/71/90/29/776719029.db2.gz ZBGUUWROTULBSO-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C[C@H]2CCC(=O)N2C)C1=O ZINC001132261021 776719073 /nfs/dbraw/zinc/71/90/73/776719073.db2.gz IKHKTEUBTUVPBQ-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CN1C(=O)CC[C@@H]1CC(=O)NCCN[C@@H]1CCNC1=O ZINC001132256811 776719152 /nfs/dbraw/zinc/71/91/52/776719152.db2.gz FIVQVWMTJUOOJH-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1ccn2nnnc2c1 ZINC001132272072 776719397 /nfs/dbraw/zinc/71/93/97/776719397.db2.gz MABFSKWDFRVMKS-UHFFFAOYSA-N 0 3 291.315 -1.420 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCC(=O)N1C)C(N)=O ZINC001132258207 776719406 /nfs/dbraw/zinc/71/94/06/776719406.db2.gz ZBGUUWROTULBSO-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)c1ccn2nnnc2c1 ZINC001132272220 776719445 /nfs/dbraw/zinc/71/94/45/776719445.db2.gz TVPDGODODABLHQ-SECBINFHSA-N 0 3 289.299 -1.668 20 0 CAADHN CN1C(=O)CC[C@@H]1CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001132257583 776719468 /nfs/dbraw/zinc/71/94/68/776719468.db2.gz MJEGQOFAXIJYKC-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1C ZINC001132257130 776719480 /nfs/dbraw/zinc/71/94/80/776719480.db2.gz IFRVNAPDWUTESV-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccn2nnnc2c1 ZINC001132271853 776719520 /nfs/dbraw/zinc/71/95/20/776719520.db2.gz GJNIWPKMLYZXPJ-QMMMGPOBSA-N 0 3 291.315 -1.422 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccn2nnnc2c1)C(N)=O ZINC001132275612 776719531 /nfs/dbraw/zinc/71/95/31/776719531.db2.gz SAUKCCRKVRXXMD-VIFPVBQESA-N 0 3 291.315 -1.292 20 0 CAADHN CN1C(=O)CC[C@H]1CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001132257586 776719564 /nfs/dbraw/zinc/71/95/64/776719564.db2.gz MJEGQOFAXIJYKC-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)CNCCNC(=O)C1(n2cnnn2)CCCCC1 ZINC001132286270 776719691 /nfs/dbraw/zinc/71/96/91/776719691.db2.gz GGWOMZHINBRRFJ-UHFFFAOYSA-N 0 3 295.347 -1.476 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccn2nnnc2c1 ZINC001132271852 776719705 /nfs/dbraw/zinc/71/97/05/776719705.db2.gz GJNIWPKMLYZXPJ-MRVPVSSYSA-N 0 3 291.315 -1.422 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C[C@@H]1CCC(=O)N1C ZINC001132261369 776719780 /nfs/dbraw/zinc/71/97/80/776719780.db2.gz NRAQHIVIQCKCJW-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)C[C@@H]2CCC(=O)N2C)C1=O ZINC001132261023 776720138 /nfs/dbraw/zinc/72/01/38/776720138.db2.gz IKHKTEUBTUVPBQ-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccn2nnnc2c1)C(N)=O ZINC001132272197 776720157 /nfs/dbraw/zinc/72/01/57/776720157.db2.gz SELVCZCEUSKFOC-SSDOTTSWSA-N 0 3 277.288 -1.683 20 0 CAADHN COc1nn(C)cc1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001132277779 776720699 /nfs/dbraw/zinc/72/06/99/776720699.db2.gz IWFKMIXVWAVBIG-JTQLQIEISA-N 0 3 295.343 -1.021 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1CCNC(=O)C1 ZINC001132316376 776720764 /nfs/dbraw/zinc/72/07/64/776720764.db2.gz BHXUOEHOBDFTQC-UHFFFAOYSA-N 0 3 271.321 -3.130 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CN1CCNC(=O)C1 ZINC001132317971 776720805 /nfs/dbraw/zinc/72/08/05/776720805.db2.gz PXTXZNDUBHQZNT-UHFFFAOYSA-N 0 3 299.375 -2.350 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCCNCC(=O)N1CCC1 ZINC001132317326 776720869 /nfs/dbraw/zinc/72/08/69/776720869.db2.gz CDNHSWGYUFHPOH-UHFFFAOYSA-N 0 3 297.359 -2.644 20 0 CAADHN CC[C@@H](F)CNCCNC(=O)CN1CCNC(=O)C1 ZINC001132317894 776720961 /nfs/dbraw/zinc/72/09/61/776720961.db2.gz OBINDKRHEITMAX-SNVBAGLBSA-N 0 3 274.340 -1.128 20 0 CAADHN COc1nn(C)cc1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001132277780 776721056 /nfs/dbraw/zinc/72/10/56/776721056.db2.gz IWFKMIXVWAVBIG-SNVBAGLBSA-N 0 3 295.343 -1.021 20 0 CAADHN CCC[C@H](OC)C(=O)NCCNCC(=O)NC(=O)NC ZINC001132290881 776721302 /nfs/dbraw/zinc/72/13/02/776721302.db2.gz PZDZFGISXQJKTH-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CCC[C@H](OC)C(=O)NCCNCC(=O)NC(N)=O ZINC001132290894 776721377 /nfs/dbraw/zinc/72/13/77/776721377.db2.gz QEGWJJKQRHAUOW-QMMMGPOBSA-N 0 3 274.321 -1.298 20 0 CAADHN CC[C@H](F)CNCCNC(=O)CN1CCNC(=O)C1 ZINC001132317893 776721480 /nfs/dbraw/zinc/72/14/80/776721480.db2.gz OBINDKRHEITMAX-JTQLQIEISA-N 0 3 274.340 -1.128 20 0 CAADHN C[C@H](NCCNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001132317220 776721652 /nfs/dbraw/zinc/72/16/52/776721652.db2.gz ABLHGNWXJXVRNB-QMMMGPOBSA-N 0 3 271.321 -3.002 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001132317219 776721710 /nfs/dbraw/zinc/72/17/10/776721710.db2.gz ABLHGNWXJXVRNB-MRVPVSSYSA-N 0 3 271.321 -3.002 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132338093 776721775 /nfs/dbraw/zinc/72/17/75/776721775.db2.gz PUQVZYCGWHRUDX-NXEZZACHSA-N 0 3 284.360 -1.272 20 0 CAADHN O=C(CN1CCNC(=O)C1)NCCN[C@@H]1CCCNC1=O ZINC001132318283 776721814 /nfs/dbraw/zinc/72/18/14/776721814.db2.gz UFCRMDNLYVUMPK-SNVBAGLBSA-N 0 3 297.359 -2.597 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132337303 776722163 /nfs/dbraw/zinc/72/21/63/776722163.db2.gz IWVYSGIMZRQKJE-DTWKUNHWSA-N 0 3 270.333 -1.660 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132337441 776722555 /nfs/dbraw/zinc/72/25/55/776722555.db2.gz KPODFRQWCRFTAL-JGVFFNPUSA-N 0 3 299.331 -2.341 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132336590 776722819 /nfs/dbraw/zinc/72/28/19/776722819.db2.gz BGWRMJPZDYAXPV-BQBZGAKWSA-N 0 3 285.304 -2.601 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1CCNC(=O)C1 ZINC001132320587 776723017 /nfs/dbraw/zinc/72/30/17/776723017.db2.gz KQIIZFAGPKJQLP-SECBINFHSA-N 0 3 285.348 -2.742 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132336525 776723058 /nfs/dbraw/zinc/72/30/58/776723058.db2.gz AHMFMBKZRQQAQU-DTWKUNHWSA-N 0 3 270.333 -1.708 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132336524 776723080 /nfs/dbraw/zinc/72/30/80/776723080.db2.gz AHMFMBKZRQQAQU-BDAKNGLRSA-N 0 3 270.333 -1.708 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001132336593 776723149 /nfs/dbraw/zinc/72/31/49/776723149.db2.gz BGWRMJPZDYAXPV-RQJHMYQMSA-N 0 3 285.304 -2.601 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132338095 776723207 /nfs/dbraw/zinc/72/32/07/776723207.db2.gz PUQVZYCGWHRUDX-VHSXEESVSA-N 0 3 284.360 -1.272 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001132337440 776723213 /nfs/dbraw/zinc/72/32/13/776723213.db2.gz KPODFRQWCRFTAL-HTQZYQBOSA-N 0 3 299.331 -2.341 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001132337416 776723226 /nfs/dbraw/zinc/72/32/26/776723226.db2.gz KEVOYRLSNZRACQ-VHSXEESVSA-N 0 3 284.360 -1.270 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O)C1CC1 ZINC001132338154 776723302 /nfs/dbraw/zinc/72/33/02/776723302.db2.gz QNVZZPMOAIBIBK-QWRGUYRKSA-N 0 3 296.371 -1.176 20 0 CAADHN NC(=O)[C@@H]1CC[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001132339014 776723886 /nfs/dbraw/zinc/72/38/86/776723886.db2.gz YLDABXFZTPPBPM-NXEZZACHSA-N 0 3 282.344 -1.518 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CN2CCNC(=O)C2)C1=O ZINC001132320869 776724093 /nfs/dbraw/zinc/72/40/93/776724093.db2.gz XODKVZYZFKLETG-SNVBAGLBSA-N 0 3 297.359 -2.645 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001132337993 776724161 /nfs/dbraw/zinc/72/41/61/776724161.db2.gz PAXKHOVMZPTSHE-MNOVXSKESA-N 0 3 296.371 -1.270 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](C)CC(N)=O ZINC001132352231 776724243 /nfs/dbraw/zinc/72/42/43/776724243.db2.gz MBFWOBBYRAYGQH-MRVPVSSYSA-N 0 3 258.322 -1.660 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001132338834 776724255 /nfs/dbraw/zinc/72/42/55/776724255.db2.gz XKUXGZVQKATURH-RKDXNWHRSA-N 0 3 284.360 -1.129 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1CCNC(=O)C1)C(N)=O ZINC001132320829 776724397 /nfs/dbraw/zinc/72/43/97/776724397.db2.gz VWERYBUFEOKVDX-SECBINFHSA-N 0 3 285.348 -2.612 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H](C)CC(N)=O ZINC001132352154 776724607 /nfs/dbraw/zinc/72/46/07/776724607.db2.gz KQDCXKFAGKJPBZ-VIFPVBQESA-N 0 3 272.349 -1.272 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@H]1CCCNC1=O ZINC001132342181 776725468 /nfs/dbraw/zinc/72/54/68/776725468.db2.gz XVCOQZBEBWYUTQ-BDAKNGLRSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)CC(N)=O)C(=O)N(C)C ZINC001132344718 776725516 /nfs/dbraw/zinc/72/55/16/776725516.db2.gz JJEZLBFDRCHDKW-DTWKUNHWSA-N 0 3 272.349 -1.320 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H](C)CC(N)=O)C(N)=O ZINC001132343977 776725611 /nfs/dbraw/zinc/72/56/11/776725611.db2.gz BLZVOKMRKSDIGR-YUMQZZPRSA-N 0 3 258.322 -1.532 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001132344683 776725757 /nfs/dbraw/zinc/72/57/57/776725757.db2.gz IYRFTFWVRRNBQZ-RKDXNWHRSA-N 0 3 270.333 -1.566 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H](C)CC(N)=O ZINC001132345976 776725878 /nfs/dbraw/zinc/72/58/78/776725878.db2.gz ZDJSEWUZRFVIHZ-SNVBAGLBSA-N 0 3 286.376 -1.024 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001132344716 776726040 /nfs/dbraw/zinc/72/60/40/776726040.db2.gz JJEZLBFDRCHDKW-BDAKNGLRSA-N 0 3 272.349 -1.320 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)CC(N)=O ZINC001132344217 776726193 /nfs/dbraw/zinc/72/61/93/776726193.db2.gz CGLYQXHCPIUVHZ-JGVFFNPUSA-N 0 3 258.322 -1.662 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001132345813 776726254 /nfs/dbraw/zinc/72/62/54/776726254.db2.gz VYPFUBFGHUEBJP-ZJUUUORDSA-N 0 3 284.360 -1.176 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H](C)CC(N)=O)C(N)=O ZINC001132343975 776726273 /nfs/dbraw/zinc/72/62/73/776726273.db2.gz BLZVOKMRKSDIGR-JGVFFNPUSA-N 0 3 258.322 -1.532 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H](C)CC(N)=O ZINC001132344219 776726303 /nfs/dbraw/zinc/72/63/03/776726303.db2.gz CGLYQXHCPIUVHZ-YUMQZZPRSA-N 0 3 258.322 -1.662 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132355802 776726831 /nfs/dbraw/zinc/72/68/31/776726831.db2.gz JXDBWLDVNQZLBY-NSHDSACASA-N 0 3 296.371 -1.303 20 0 CAADHN Cn1c(C(=O)NCCNCC(=O)NCC2CC2)c[nH]c1=O ZINC001132367390 776726851 /nfs/dbraw/zinc/72/68/51/776726851.db2.gz UJPXLRXLHVXOMZ-UHFFFAOYSA-N 0 3 295.343 -1.029 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132355645 776727009 /nfs/dbraw/zinc/72/70/09/776727009.db2.gz GLQYZXJIJJGKJE-SNVBAGLBSA-N 0 3 265.317 -1.238 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1c[nH]c(=O)n1C ZINC001132367124 776727197 /nfs/dbraw/zinc/72/71/97/776727197.db2.gz NHGVSMMJMWHTKI-UHFFFAOYSA-N 0 3 298.303 -2.099 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1c[nH]c(=O)n1C ZINC001132367132 776727432 /nfs/dbraw/zinc/72/74/32/776727432.db2.gz NPILEMWNIIAXRO-UHFFFAOYSA-N 0 3 283.332 -1.029 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NCCNCC(=O)NCC1CC1 ZINC001132349690 776727483 /nfs/dbraw/zinc/72/74/83/776727483.db2.gz LRANCEOLTBKSBD-SECBINFHSA-N 0 3 284.360 -1.270 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC1=O)N1CCCC1 ZINC001132355596 776727600 /nfs/dbraw/zinc/72/76/00/776727600.db2.gz DYFGUKCGINJJRH-SNVBAGLBSA-N 0 3 282.344 -1.549 20 0 CAADHN Cn1c(C(=O)NCCN[C@H]2CCNC2=O)c[nH]c1=O ZINC001132367037 776727613 /nfs/dbraw/zinc/72/76/13/776727613.db2.gz JTXWKVGPQLSARL-ZETCQYMHSA-N 0 3 267.289 -1.666 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@H]1CCNC1=O ZINC001132355644 776727785 /nfs/dbraw/zinc/72/77/85/776727785.db2.gz GLQYZXJIJJGKJE-JTQLQIEISA-N 0 3 265.317 -1.238 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132355792 776728051 /nfs/dbraw/zinc/72/80/51/776728051.db2.gz JTCCKJSOEYPLFU-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132358259 776729039 /nfs/dbraw/zinc/72/90/39/776729039.db2.gz CAXKPAUTGLNXPI-MRVPVSSYSA-N 0 3 256.306 -2.084 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC1=O)NCC1CC1 ZINC001132356159 776728848 /nfs/dbraw/zinc/72/88/48/776728848.db2.gz QRQHSWFWOVRZOP-JTQLQIEISA-N 0 3 282.344 -1.646 20 0 CAADHN CC(C)[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132358856 776729111 /nfs/dbraw/zinc/72/91/11/776729111.db2.gz JACNXKRZFJNIMW-WDEREUQCSA-N 0 3 298.387 -1.011 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCNC1=O)NCC1CC1 ZINC001132356160 776729224 /nfs/dbraw/zinc/72/92/24/776729224.db2.gz QRQHSWFWOVRZOP-SNVBAGLBSA-N 0 3 282.344 -1.646 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132358418 776729851 /nfs/dbraw/zinc/72/98/51/776729851.db2.gz DKIKIGDJPDUXLZ-SNVBAGLBSA-N 0 3 284.360 -1.255 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132358260 776730087 /nfs/dbraw/zinc/73/00/87/776730087.db2.gz CAXKPAUTGLNXPI-QMMMGPOBSA-N 0 3 256.306 -2.084 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1CCNC1=O ZINC001132358827 776730163 /nfs/dbraw/zinc/73/01/63/776730163.db2.gz IGPXMCUMSBUVDV-SFYZADRCSA-N 0 3 282.300 -2.367 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC001132358666 776730182 /nfs/dbraw/zinc/73/01/82/776730182.db2.gz HBVXOYNQYIMSFD-JGVFFNPUSA-N 0 3 254.290 -2.283 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC001132358665 776730268 /nfs/dbraw/zinc/73/02/68/776730268.db2.gz HBVXOYNQYIMSFD-HTQZYQBOSA-N 0 3 254.290 -2.283 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132359521 776730802 /nfs/dbraw/zinc/73/08/02/776730802.db2.gz REQTWRYPKPFUND-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132360175 776730825 /nfs/dbraw/zinc/73/08/25/776730825.db2.gz WJJFXHCFYKQJCN-LURJTMIESA-N 0 3 271.277 -2.977 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132359483 776731443 /nfs/dbraw/zinc/73/14/43/776731443.db2.gz QGULWBIFZHFMKR-JTQLQIEISA-N 0 3 284.360 -1.305 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)N(C)C ZINC001132385953 776731521 /nfs/dbraw/zinc/73/15/21/776731521.db2.gz CICWXXDGVIWQMQ-IUCAKERBSA-N 0 3 285.348 -1.808 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001132362948 776731555 /nfs/dbraw/zinc/73/15/55/776731555.db2.gz OWZFSWUHWUWYMA-QWRGUYRKSA-N 0 3 298.387 -1.024 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CCNC1=O ZINC001132359057 776731597 /nfs/dbraw/zinc/73/15/97/776731597.db2.gz LBHOXPDOEOJTJR-BDAKNGLRSA-N 0 3 268.317 -1.893 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC1=O)NC1CCCC1 ZINC001132359879 776731696 /nfs/dbraw/zinc/73/16/96/776731696.db2.gz TVWZNUNSJAGSGQ-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CN(C)C(=O)N1)C(=O)N(C)C ZINC001132385951 776731744 /nfs/dbraw/zinc/73/17/44/776731744.db2.gz CICWXXDGVIWQMQ-BDAKNGLRSA-N 0 3 285.348 -1.808 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132359335 776731774 /nfs/dbraw/zinc/73/17/74/776731774.db2.gz OIZQLMJEGKARFX-VIFPVBQESA-N 0 3 270.333 -1.646 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132359576 776731811 /nfs/dbraw/zinc/73/18/11/776731811.db2.gz RVAUHJQYLWCREE-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132385915 776731885 /nfs/dbraw/zinc/73/18/85/776731885.db2.gz BPKFILOLQBVHOI-JTQLQIEISA-N 0 3 299.375 -1.512 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCNC1=O)N1CCOCC1 ZINC001132359928 776731893 /nfs/dbraw/zinc/73/18/93/776731893.db2.gz URUUNSVTDSTPBV-JTQLQIEISA-N 0 3 298.343 -2.313 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)NC1=O ZINC001132387510 776732448 /nfs/dbraw/zinc/73/24/48/776732448.db2.gz USYHHZMJVCKRRQ-HTQZYQBOSA-N 0 3 297.315 -2.479 20 0 CAADHN CN1C[C@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)NC1=O ZINC001132387015 776732555 /nfs/dbraw/zinc/73/25/55/776732555.db2.gz OEKDLCSSHWLUCJ-VHSXEESVSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132387269 776732582 /nfs/dbraw/zinc/73/25/82/776732582.db2.gz QPBFVJDZBXOWFA-SFYZADRCSA-N 0 3 271.321 -2.150 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CN(C)C(=O)N1)C(N)=O ZINC001132387033 776732638 /nfs/dbraw/zinc/73/26/38/776732638.db2.gz OSCIAVNSUOWEAT-RNFRBKRXSA-N 0 3 257.294 -2.410 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@H]2CCNC2=O)NC1=O ZINC001132386780 776732713 /nfs/dbraw/zinc/73/27/13/776732713.db2.gz KTJKQCFNFDHJLI-YUMQZZPRSA-N 0 3 269.305 -2.396 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132386462 776732760 /nfs/dbraw/zinc/73/27/60/776732760.db2.gz HMZJRTXCKGEZDS-UWVGGRQHSA-N 0 3 299.375 -1.370 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)NC1=O ZINC001132387513 776732970 /nfs/dbraw/zinc/73/29/70/776732970.db2.gz USYHHZMJVCKRRQ-YUMQZZPRSA-N 0 3 297.315 -2.479 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001132386833 776733013 /nfs/dbraw/zinc/73/30/13/776733013.db2.gz MMNBNSLWKKDURL-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001132387034 776733036 /nfs/dbraw/zinc/73/30/36/776733036.db2.gz OSCIAVNSUOWEAT-RQJHMYQMSA-N 0 3 257.294 -2.410 20 0 CAADHN CN1C[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)NC1=O ZINC001132387512 776733289 /nfs/dbraw/zinc/73/32/89/776733289.db2.gz USYHHZMJVCKRRQ-SFYZADRCSA-N 0 3 297.315 -2.479 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCNC1=O ZINC001132373868 776734203 /nfs/dbraw/zinc/73/42/03/776734203.db2.gz AKBDHEQJIDBFKU-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CCCC[C@@H](NCCNC(=O)[C@@H]1CCNC1=O)C(N)=O ZINC001132373963 776734211 /nfs/dbraw/zinc/73/42/11/776734211.db2.gz AXKKYYOVNFZECT-NXEZZACHSA-N 0 3 284.360 -1.128 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCNC1=O ZINC001132373870 776734223 /nfs/dbraw/zinc/73/42/23/776734223.db2.gz AKBDHEQJIDBFKU-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCNC1=O ZINC001132373871 776734252 /nfs/dbraw/zinc/73/42/52/776734252.db2.gz AKBDHEQJIDBFKU-ZJUUUORDSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCNC1=O)C(=O)NC(N)=O ZINC001132374575 776734295 /nfs/dbraw/zinc/73/42/95/776734295.db2.gz DSJYYBDGWZSHOR-BQBZGAKWSA-N 0 3 285.304 -2.588 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCNC1=O ZINC001132376360 776734351 /nfs/dbraw/zinc/73/43/51/776734351.db2.gz OHBWBOZWLVOYHW-YUMQZZPRSA-N 0 3 299.331 -2.328 20 0 CAADHN CC(C)(C)CNC(=O)CNCCNC(=O)[C@@H]1CCNC1=O ZINC001132374033 776734507 /nfs/dbraw/zinc/73/45/07/776734507.db2.gz BNBTXHDZNNFHMS-SNVBAGLBSA-N 0 3 298.387 -1.009 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCNC1=O)C(=O)NC(N)=O ZINC001132374578 776734525 /nfs/dbraw/zinc/73/45/25/776734525.db2.gz DSJYYBDGWZSHOR-NKWVEPMBSA-N 0 3 285.304 -2.588 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCNC1=O ZINC001132376635 776734801 /nfs/dbraw/zinc/73/48/01/776734801.db2.gz PZKDZJZKPFUMIK-GHMZBOCLSA-N 0 3 298.387 -1.011 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@@H]2CCNC2=O)C1=O ZINC001132370272 776734838 /nfs/dbraw/zinc/73/48/38/776734838.db2.gz QGZJFLVCFQSPKW-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCNC2=O)C1=O ZINC001132374317 776734916 /nfs/dbraw/zinc/73/49/16/776734916.db2.gz CGZBEUDDLSJAMV-DTWKUNHWSA-N 0 3 268.317 -1.941 20 0 CAADHN CCCC[C@@H](NCCNC(=O)[C@H]1CCNC1=O)C(N)=O ZINC001132373967 776734979 /nfs/dbraw/zinc/73/49/79/776734979.db2.gz AXKKYYOVNFZECT-VHSXEESVSA-N 0 3 284.360 -1.128 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCNC1=O)C(N)=O ZINC001132377629 776735964 /nfs/dbraw/zinc/73/59/64/776735964.db2.gz YDASXJQIGLVEKR-YUMQZZPRSA-N 0 3 256.306 -1.908 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132382837 776735880 /nfs/dbraw/zinc/73/58/80/776735880.db2.gz STAGLVDVXODXTQ-SNVBAGLBSA-N 0 3 280.332 -1.351 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCNC1=O)C(N)=O ZINC001132377627 776736040 /nfs/dbraw/zinc/73/60/40/776736040.db2.gz YDASXJQIGLVEKR-SFYZADRCSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001132382485 776736262 /nfs/dbraw/zinc/73/62/62/776736262.db2.gz KHYYUHRUOASUTJ-SSDOTTSWSA-N 0 3 257.294 -2.538 20 0 CAADHN CN1C[C@@H](C(=O)NCCNCC(=O)N2CCCC2)NC1=O ZINC001132382796 776736321 /nfs/dbraw/zinc/73/63/21/776736321.db2.gz RGZXWDVWDDNFOU-JTQLQIEISA-N 0 3 297.359 -1.662 20 0 CAADHN C[C@@H](NCCNC(=O)c1c[nH]c(=O)n1C)C(=O)NC(N)=O ZINC001132382289 776736406 /nfs/dbraw/zinc/73/64/06/776736406.db2.gz HHNHODXGFMKVTP-ZCFIWIBFSA-N 0 3 298.303 -1.972 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1CCNC1=O ZINC001132377691 776736638 /nfs/dbraw/zinc/73/66/38/776736638.db2.gz ZFEPFSXPFJRLLJ-JTQLQIEISA-N 0 3 284.360 -1.400 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2c[nH]c(=O)n2C)C1=O ZINC001132379270 776736731 /nfs/dbraw/zinc/73/67/31/776736731.db2.gz AHZOWXMUSHHDKY-QMMMGPOBSA-N 0 3 281.316 -1.324 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CCNC1=O)C1CC1 ZINC001132377754 776737273 /nfs/dbraw/zinc/73/72/73/776737273.db2.gz ZSMDTGAGRIAHBS-MWLCHTKSSA-N 0 3 296.371 -1.257 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)N2CCCC2)NC1=O ZINC001132382797 776737357 /nfs/dbraw/zinc/73/73/57/776737357.db2.gz RGZXWDVWDDNFOU-SNVBAGLBSA-N 0 3 297.359 -1.662 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)N2CCC2)NC1=O ZINC001132382623 776737406 /nfs/dbraw/zinc/73/74/06/776737406.db2.gz ORQSOGDDXJOBHN-SECBINFHSA-N 0 3 283.332 -2.052 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)NCC2CC2)NC1=O ZINC001132382799 776737440 /nfs/dbraw/zinc/73/74/40/776737440.db2.gz RIJCWZZFRXEZNH-SNVBAGLBSA-N 0 3 297.359 -1.758 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCNC1=O)C(N)=O ZINC001132377626 776737470 /nfs/dbraw/zinc/73/74/70/776737470.db2.gz YDASXJQIGLVEKR-JGVFFNPUSA-N 0 3 256.306 -1.908 20 0 CAADHN CCCC[C@H](NCCNC(=O)[C@@H]1CN(C)C(=O)N1)C(N)=O ZINC001132392056 776737762 /nfs/dbraw/zinc/73/77/62/776737762.db2.gz UNNPQGOCWMPHDE-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2CN(C)C(=O)N2)C1=O ZINC001132391488 776738377 /nfs/dbraw/zinc/73/83/77/776738377.db2.gz KKWMBSXYZXLVOW-DTWKUNHWSA-N 0 3 283.332 -2.054 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)NC(N)=O ZINC001132519802 776739658 /nfs/dbraw/zinc/73/96/58/776739658.db2.gz MPENHPMQKISEOK-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523521 776739875 /nfs/dbraw/zinc/73/98/75/776739875.db2.gz MIPODUNMCCDUGB-UHFFFAOYSA-N 0 3 283.336 -1.554 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523458 776740088 /nfs/dbraw/zinc/74/00/88/776740088.db2.gz KETVAVCTVDOVQF-UHFFFAOYSA-N 0 3 283.336 -1.604 20 0 CAADHN Cn1nnc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)n1 ZINC001132523611 776740131 /nfs/dbraw/zinc/74/01/31/776740131.db2.gz RBOZHCZCZUGTCP-ZCFIWIBFSA-N 0 3 281.276 -2.665 20 0 CAADHN CC(C)[C@@H](C)NC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523557 776740190 /nfs/dbraw/zinc/74/01/90/776740190.db2.gz OCOOZFXYDXAFAO-SECBINFHSA-N 0 3 297.363 -1.310 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132519535 776740331 /nfs/dbraw/zinc/74/03/31/776740331.db2.gz AKMBUTINADLZKL-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001132520037 776740442 /nfs/dbraw/zinc/74/04/42/776740442.db2.gz VZBRCGJIGUUVSD-IUCAKERBSA-N 0 3 268.317 -1.799 20 0 CAADHN Cn1nnc(C(=O)NCCNCC(=O)N2CCC2)n1 ZINC001132523537 776740601 /nfs/dbraw/zinc/74/06/01/776740601.db2.gz NBQIKXYQFIQFKQ-UHFFFAOYSA-N 0 3 267.293 -2.238 20 0 CAADHN CN(CC1CC1)C(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523806 776741289 /nfs/dbraw/zinc/74/12/89/776741289.db2.gz ZTMTZPSMMROBIV-UHFFFAOYSA-N 0 3 295.347 -1.602 20 0 CAADHN CCCC[C@@H](NCCNC(=O)c1nnn(C)n1)C(N)=O ZINC001132527107 776741387 /nfs/dbraw/zinc/74/13/87/776741387.db2.gz MGAGTZOXFJBVPP-MRVPVSSYSA-N 0 3 283.336 -1.426 20 0 CAADHN CCC(C)(C)NC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132523743 776741662 /nfs/dbraw/zinc/74/16/62/776741662.db2.gz XDUQOJVARHXATI-UHFFFAOYSA-N 0 3 297.363 -1.166 20 0 CAADHN C[C@@H](NCCNC(=O)c1nnn(C)n1)C(=O)N(C)C ZINC001132527146 776741732 /nfs/dbraw/zinc/74/17/32/776741732.db2.gz NFQIFOPCAYKWJU-SSDOTTSWSA-N 0 3 269.309 -1.994 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)c2nnn(C)n2)C1=O ZINC001132527167 776741752 /nfs/dbraw/zinc/74/17/52/776741752.db2.gz OKGHOFIXLFNGNL-MRVPVSSYSA-N 0 3 281.320 -1.850 20 0 CAADHN CCC(CC)NC(=O)CNCCNC(=O)c1nnn(C)n1 ZINC001132528867 776742540 /nfs/dbraw/zinc/74/25/40/776742540.db2.gz VACLUEZCDKWHNN-UHFFFAOYSA-N 0 3 297.363 -1.166 20 0 CAADHN C[C@H](NCCNC(=O)c1nnn(C)n1)C(=O)NC(N)=O ZINC001132528886 776742564 /nfs/dbraw/zinc/74/25/64/776742564.db2.gz VMGXBHZJARQWRE-YFKPBYRVSA-N 0 3 284.280 -2.887 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CCC(=O)N2C)C1=O ZINC001132531974 776742627 /nfs/dbraw/zinc/74/26/27/776742627.db2.gz XGKDGOFUUIAGME-UWVGGRQHSA-N 0 3 282.344 -1.456 20 0 CAADHN Cn1nnc(C(=O)NCCN[C@@H]2CCCNC2=O)n1 ZINC001132523295 776742656 /nfs/dbraw/zinc/74/26/56/776742656.db2.gz BGSJTPUSNIOKBJ-SSDOTTSWSA-N 0 3 267.293 -2.192 20 0 CAADHN CC(C)CNC(=O)[C@@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132528869 776742720 /nfs/dbraw/zinc/74/27/20/776742720.db2.gz VDOHVXXWTUCAGQ-SECBINFHSA-N 0 3 297.363 -1.310 20 0 CAADHN CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132527233 776742742 /nfs/dbraw/zinc/74/27/42/776742742.db2.gz RJRFKHIDBCXPHT-VIFPVBQESA-N 0 3 297.363 -1.215 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC(=O)N1C)C(=O)N(C)C ZINC001132531921 776742755 /nfs/dbraw/zinc/74/27/55/776742755.db2.gz VGISDPKZCOXBHK-ZJUUUORDSA-N 0 3 284.360 -1.210 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001132528045 776742785 /nfs/dbraw/zinc/74/27/85/776742785.db2.gz AVGKAJBJAPDXCY-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CCN(C(=O)CNCCNC(=O)c1nnn(C)n1)C1CC1 ZINC001132529022 776742921 /nfs/dbraw/zinc/74/29/21/776742921.db2.gz WXUXDMUFLHRTQT-UHFFFAOYSA-N 0 3 295.347 -1.460 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2CCC(=O)N2C)C1=O ZINC001132528695 776743096 /nfs/dbraw/zinc/74/30/96/776743096.db2.gz RJMBLMPOCZCFHA-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001132528913 776743152 /nfs/dbraw/zinc/74/31/52/776743152.db2.gz WQQRPFOHDDHGME-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CN1C(=O)CC[C@H]1C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001132528044 776743231 /nfs/dbraw/zinc/74/32/31/776743231.db2.gz AVGKAJBJAPDXCY-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](NCCNC(=O)c1nnn(C)n1)C(=O)NC(C)(C)C ZINC001132528322 776743309 /nfs/dbraw/zinc/74/33/09/776743309.db2.gz IXSPDTHMCWIRAC-QMMMGPOBSA-N 0 3 297.363 -1.167 20 0 CAADHN CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132527232 776743367 /nfs/dbraw/zinc/74/33/67/776743367.db2.gz RJRFKHIDBCXPHT-SECBINFHSA-N 0 3 297.363 -1.215 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1nnn(C)n1 ZINC001132528469 776743397 /nfs/dbraw/zinc/74/33/97/776743397.db2.gz NAYUBAXJVGTQKN-LURJTMIESA-N 0 3 298.307 -2.626 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)c1nnn(C)n1)C1CC1 ZINC001132528054 776743463 /nfs/dbraw/zinc/74/34/63/776743463.db2.gz BEEGYUXMXUIUCA-QMMMGPOBSA-N 0 3 295.347 -1.556 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1C ZINC001132528032 776743591 /nfs/dbraw/zinc/74/35/91/776743591.db2.gz AIWOTKNLFZTQNV-BDAKNGLRSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1c(C)cnn1C ZINC001132548192 776744107 /nfs/dbraw/zinc/74/41/07/776744107.db2.gz FWKFEILBJANSEX-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132612517 776744613 /nfs/dbraw/zinc/74/46/13/776744613.db2.gz INVQFIXPDBHQFO-DTWKUNHWSA-N 0 3 270.333 -1.695 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2CCN(C)C2=O)C1=O ZINC001132612699 776744637 /nfs/dbraw/zinc/74/46/37/776744637.db2.gz OLUASVRIDGHBSG-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605553 776744720 /nfs/dbraw/zinc/74/47/20/776744720.db2.gz VJRZOLVQBXLWFQ-QMSLJYSESA-N 0 3 270.289 -2.221 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132612519 776744755 /nfs/dbraw/zinc/74/47/55/776744755.db2.gz INVQFIXPDBHQFO-RKDXNWHRSA-N 0 3 270.333 -1.695 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605296 776744826 /nfs/dbraw/zinc/74/48/26/776744826.db2.gz JHPSMFSCNHFUAK-QCLAVDOMSA-N 0 3 253.302 -1.527 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605156 776744859 /nfs/dbraw/zinc/74/48/59/776744859.db2.gz CFPFXFXIFGERCA-PJXYFTJBSA-N 0 3 299.371 -1.263 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2CCN(C)C2=O)C1=O ZINC001132612697 776744880 /nfs/dbraw/zinc/74/48/80/776744880.db2.gz OLUASVRIDGHBSG-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N1CCOCC1 ZINC001132605201 776744938 /nfs/dbraw/zinc/74/49/38/776744938.db2.gz FHSATOHIAIAKAW-PJXYFTJBSA-N 0 3 297.355 -1.557 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605542 776744965 /nfs/dbraw/zinc/74/49/65/776744965.db2.gz UWGSCDPXGNHMMK-JZYVYDRUSA-N 0 3 298.343 -1.570 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132612588 776745055 /nfs/dbraw/zinc/74/50/55/776745055.db2.gz KEZIBLIPCWWQPJ-LLVKDONJSA-N 0 3 298.387 -1.057 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132612516 776745145 /nfs/dbraw/zinc/74/51/45/776745145.db2.gz INVQFIXPDBHQFO-BDAKNGLRSA-N 0 3 270.333 -1.695 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132609016 776745837 /nfs/dbraw/zinc/74/58/37/776745837.db2.gz OHHLIORSGRKCLE-SNVBAGLBSA-N 0 3 284.360 -1.351 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCN(C)C1=O)C(=O)NC(N)=O ZINC001132625333 776745903 /nfs/dbraw/zinc/74/59/03/776745903.db2.gz ZILWTENVKFNUQP-SFYZADRCSA-N 0 3 299.331 -2.246 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132608928 776745950 /nfs/dbraw/zinc/74/59/50/776745950.db2.gz MHNXBKGFTBPRGL-SNVBAGLBSA-N 0 3 284.360 -1.305 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132615964 776746026 /nfs/dbraw/zinc/74/60/26/776746026.db2.gz ARJKVBGCMTYRTI-MYJAWHEDSA-N 0 3 291.373 -1.866 20 0 CAADHN CN1CC[C@@H](C(=O)NCCNCC(=O)N2CCCC2)C1=O ZINC001132608845 776746035 /nfs/dbraw/zinc/74/60/35/776746035.db2.gz KPGQXFXPEGTABR-NSHDSACASA-N 0 3 296.371 -1.207 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCN(C)C1=O)C(=O)NC1CC1 ZINC001132625339 776746105 /nfs/dbraw/zinc/74/61/05/776746105.db2.gz ZNLNGXUOZBQHBP-GXSJLCMTSA-N 0 3 296.371 -1.162 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CCN(C)C1=O ZINC001132608927 776746198 /nfs/dbraw/zinc/74/61/98/776746198.db2.gz MHNXBKGFTBPRGL-JTQLQIEISA-N 0 3 284.360 -1.305 20 0 CAADHN CN1CC[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1=O ZINC001132608618 776746224 /nfs/dbraw/zinc/74/62/24/776746224.db2.gz HDXBJUNCFHZBDH-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCN(C)C2=O)C1=O ZINC001132624309 776746462 /nfs/dbraw/zinc/74/64/62/776746462.db2.gz MQGPMQYQYXRFDJ-VHSXEESVSA-N 0 3 282.344 -1.599 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCN(C)C1=O)C(N)=O ZINC001132608419 776746683 /nfs/dbraw/zinc/74/66/83/776746683.db2.gz DMXONNRVNLTPEL-YUMQZZPRSA-N 0 3 256.306 -1.956 20 0 CAADHN CN1CC[C@H](C(=O)NCCNCC(=O)NC2CC2)C1=O ZINC001132608295 776746667 /nfs/dbraw/zinc/74/66/67/776746667.db2.gz BHPPGOMIFVZIRN-SNVBAGLBSA-N 0 3 282.344 -1.551 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCN(C)C1=O)C(N)=O ZINC001132625034 776746744 /nfs/dbraw/zinc/74/67/44/776746744.db2.gz WAJBMXMNPVWEOE-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN COC[C@@H](O)C[NH2+]CCNC(=O)c1c(C)nc[n-]c1=O ZINC001132706544 776747319 /nfs/dbraw/zinc/74/73/19/776747319.db2.gz MUZZXPVICIMGNR-VIFPVBQESA-N 0 3 284.316 -1.183 20 0 CAADHN CN1CC[C@H](C(=O)NCCN[C@H]2CCCN(C)C2=O)C1=O ZINC001132609295 776747532 /nfs/dbraw/zinc/74/75/32/776747532.db2.gz VQDNQOSRXAULPB-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CN1CC[C@@H](C(=O)NCCN[C@@H]2CCCN(C)C2=O)C1=O ZINC001132609297 776747578 /nfs/dbraw/zinc/74/75/78/776747578.db2.gz VQDNQOSRXAULPB-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CN1CC[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1=O ZINC001132609163 776747664 /nfs/dbraw/zinc/74/76/64/776747664.db2.gz RKYDWXQZMREROY-IUCAKERBSA-N 0 3 296.327 -2.024 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1CCN(C)C1=O)C1CC1 ZINC001132609445 776747705 /nfs/dbraw/zinc/74/77/05/776747705.db2.gz ZKMHUFUOEXWJLK-LLVKDONJSA-N 0 3 296.371 -1.209 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCN(C)C1=O ZINC001132609361 776747755 /nfs/dbraw/zinc/74/77/55/776747755.db2.gz XDVNEBNYLFMXDB-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]CCNC(=O)c1c(C)nc[n-]c1=O ZINC001132706493 776747966 /nfs/dbraw/zinc/74/79/66/776747966.db2.gz KDVDYYYNPVICSJ-QMMMGPOBSA-N 0 3 281.316 -1.055 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CCN(C)C1=O)C1CC1 ZINC001132609446 776748437 /nfs/dbraw/zinc/74/84/37/776748437.db2.gz ZKMHUFUOEXWJLK-NSHDSACASA-N 0 3 296.371 -1.209 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@H]2CCC(=O)N2C)C1=O ZINC001132764373 776750692 /nfs/dbraw/zinc/75/06/92/776750692.db2.gz RJMBLMPOCZCFHA-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001132763819 776750914 /nfs/dbraw/zinc/75/09/14/776750914.db2.gz AVGKAJBJAPDXCY-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1C ZINC001132761798 776751191 /nfs/dbraw/zinc/75/11/91/776751191.db2.gz CSWRWPXHGMHODJ-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CN1C(=O)CC[C@@H]1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001132763114 776751488 /nfs/dbraw/zinc/75/14/88/776751488.db2.gz WQQRPFOHDDHGME-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001132763836 776751498 /nfs/dbraw/zinc/75/14/98/776751498.db2.gz BPHQRNNGSTWTMB-HTQZYQBOSA-N 0 3 256.306 -1.813 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1cnoc1)C(=O)NC(N)=O ZINC001132758521 776751562 /nfs/dbraw/zinc/75/15/62/776751562.db2.gz BDPCRYVRWQBLKZ-SSDOTTSWSA-N 0 3 283.288 -1.494 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001132784288 776751589 /nfs/dbraw/zinc/75/15/89/776751589.db2.gz OSBRBKPJXILVTE-GFCCVEGCSA-N 0 3 298.387 -1.179 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCC(=O)N1C)C(=O)N(C)C ZINC001132764618 776751672 /nfs/dbraw/zinc/75/16/72/776751672.db2.gz VGISDPKZCOXBHK-NXEZZACHSA-N 0 3 284.360 -1.210 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCC(=O)N1C)C(N)=O ZINC001132764857 776751683 /nfs/dbraw/zinc/75/16/83/776751683.db2.gz ZZZHEFBRHVXBRO-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCC(=O)N2C)C1=O ZINC001132764696 776751745 /nfs/dbraw/zinc/75/17/45/776751745.db2.gz XGKDGOFUUIAGME-NXEZZACHSA-N 0 3 282.344 -1.456 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@]1(F)CCOC1 ZINC001132852074 776752260 /nfs/dbraw/zinc/75/22/60/776752260.db2.gz GYALBXCUHCFBQC-KWQFWETISA-N 0 3 261.297 -1.045 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)c1cncnc1 ZINC001132816186 776752734 /nfs/dbraw/zinc/75/27/34/776752734.db2.gz FKIPEEQOXSIFCB-MRVPVSSYSA-N 0 3 294.315 -1.519 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@]1(F)CCOC1 ZINC001132856055 776752846 /nfs/dbraw/zinc/75/28/46/776752846.db2.gz LUFJIBPUZIILDK-JTQLQIEISA-N 0 3 297.352 -1.630 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@]1(F)CCOC1 ZINC001132851868 776752874 /nfs/dbraw/zinc/75/28/74/776752874.db2.gz BGALXVULNGUFLJ-JTQLQIEISA-N 0 3 276.268 -1.984 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@@]1(F)CCOC1 ZINC001132856056 776752888 /nfs/dbraw/zinc/75/28/88/776752888.db2.gz LUFJIBPUZIILDK-SNVBAGLBSA-N 0 3 297.352 -1.630 20 0 CAADHN C[C@@H](C(=O)NCCNCC(N)=O)c1cncnc1 ZINC001132820331 776753024 /nfs/dbraw/zinc/75/30/24/776753024.db2.gz LSECKTILRXHMIY-MRVPVSSYSA-N 0 3 251.290 -1.229 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(F)CCOC1)C(=O)NC(N)=O ZINC001132867600 776753079 /nfs/dbraw/zinc/75/30/79/776753079.db2.gz JLFJVHMQAOKWNI-HQJQHLMTSA-N 0 3 290.295 -1.596 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@]1(F)CCOC1 ZINC001132852193 776753211 /nfs/dbraw/zinc/75/32/11/776753211.db2.gz JHCYUAXNDKLSID-UFBFGSQYSA-N 0 3 287.291 -1.374 20 0 CAADHN CC(C)N1CCO[C@@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001132858839 776753230 /nfs/dbraw/zinc/75/32/30/776753230.db2.gz LNPYPFWXFFRABT-VXGBXAGGSA-N 0 3 298.387 -1.310 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@]1(F)CCOC1 ZINC001132853135 776753253 /nfs/dbraw/zinc/75/32/53/776753253.db2.gz XIUFQYWTFSRJCP-NSHDSACASA-N 0 3 261.297 -1.091 20 0 CAADHN CC(C)N1CCO[C@@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001132848415 776753286 /nfs/dbraw/zinc/75/32/86/776753286.db2.gz HSAFMBQSUZOVFF-GHMZBOCLSA-N 0 3 286.376 -1.325 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@]1(F)CCOC1 ZINC001132868053 776753760 /nfs/dbraw/zinc/75/37/60/776753760.db2.gz VZLGVUOKMMBCTC-LLVKDONJSA-N 0 3 290.295 -1.724 20 0 CAADHN COc1ccc(CC(=O)NCCNCC(N)=O)nc1 ZINC001132871400 776753953 /nfs/dbraw/zinc/75/39/53/776753953.db2.gz HWPCFJNRGPMSJO-UHFFFAOYSA-N 0 3 266.301 -1.176 20 0 CAADHN Cn1cc(OCC(=O)NCCN[C@H]2CCN(C)C2=O)cn1 ZINC001132964576 776754009 /nfs/dbraw/zinc/75/40/09/776754009.db2.gz VMGIIONSCREUBW-NSHDSACASA-N 0 3 295.343 -1.265 20 0 CAADHN C[C@@H](NCCNC(=O)COc1cnn(C)c1)C(N)=O ZINC001132964591 776754058 /nfs/dbraw/zinc/75/40/58/776754058.db2.gz VZTJKWBTUCCBKV-MRVPVSSYSA-N 0 3 269.305 -1.622 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccoc1CC(N)=O ZINC001132950104 776754118 /nfs/dbraw/zinc/75/41/18/776754118.db2.gz KKQCNXBSSMGIHX-UHFFFAOYSA-N 0 3 268.273 -1.888 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)n1C ZINC001132889559 776754422 /nfs/dbraw/zinc/75/44/22/776754422.db2.gz KHMPVKVVSOUUKI-VIFPVBQESA-N 0 3 293.327 -1.147 20 0 CAADHN Cn1cc(OCC(=O)NCCNCC(=O)N2CCC2)cn1 ZINC001132961195 776754438 /nfs/dbraw/zinc/75/44/38/776754438.db2.gz LPSHPYWZGHOWRK-UHFFFAOYSA-N 0 3 295.343 -1.263 20 0 CAADHN Cn1ncc2c1C[C@@H](C(=O)NCCNCC(N)=O)CC2 ZINC001132895574 776754461 /nfs/dbraw/zinc/75/44/61/776754461.db2.gz HWYUKDHALKPMCB-VIFPVBQESA-N 0 3 279.344 -1.284 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccoc1CC(N)=O ZINC001132950453 776754613 /nfs/dbraw/zinc/75/46/13/776754613.db2.gz QOLWKIXGBLJYQW-MRVPVSSYSA-N 0 3 296.327 -1.239 20 0 CAADHN Cn1nnc2c1C[C@@H](C(=O)NCCNCC(N)=O)CC2 ZINC001132919771 776754865 /nfs/dbraw/zinc/75/48/65/776754865.db2.gz DZRUCNNKDYFUHB-QMMMGPOBSA-N 0 3 280.332 -1.889 20 0 CAADHN C[C@H](NCCNC(=O)c1ccnc2c1nnn2C)C(N)=O ZINC001132954119 776754927 /nfs/dbraw/zinc/75/49/27/776754927.db2.gz LKRBJCVNTSDAJT-ZETCQYMHSA-N 0 3 291.315 -1.444 20 0 CAADHN Cc1ncc(C(=O)NCCN[C@H](C)C(N)=O)n1C ZINC001132889417 776754968 /nfs/dbraw/zinc/75/49/68/776754968.db2.gz DGKFTEFLKYHSCE-SSDOTTSWSA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCc2nnn(C)c2C1)C(N)=O ZINC001132920779 776754981 /nfs/dbraw/zinc/75/49/81/776754981.db2.gz NXNFYWPGOLGYLE-IUCAKERBSA-N 0 3 294.359 -1.500 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccoc1CC(N)=O ZINC001132950454 776755047 /nfs/dbraw/zinc/75/50/47/776755047.db2.gz QOLWKIXGBLJYQW-QMMMGPOBSA-N 0 3 296.327 -1.239 20 0 CAADHN C[C@H](NCCNC(=O)c1ccoc1CC(N)=O)C(N)=O ZINC001132949547 776755057 /nfs/dbraw/zinc/75/50/57/776755057.db2.gz CHZRPJFPDHMSTN-ZETCQYMHSA-N 0 3 282.300 -1.499 20 0 CAADHN Cn1cc(OCC(=O)NCCNCC(N)=O)cn1 ZINC001132961035 776755096 /nfs/dbraw/zinc/75/50/96/776755096.db2.gz FVBBHFJDJMFMSX-UHFFFAOYSA-N 0 3 255.278 -2.010 20 0 CAADHN Cn1cc(OCC(=O)NCCN[C@@H]2CCN(C)C2=O)cn1 ZINC001132964575 776755120 /nfs/dbraw/zinc/75/51/20/776755120.db2.gz VMGIIONSCREUBW-LLVKDONJSA-N 0 3 295.343 -1.265 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CCCc2nn[nH]c21 ZINC001133000970 776755580 /nfs/dbraw/zinc/75/55/80/776755580.db2.gz OXUZKDMEAVNTOF-PSASIEDQSA-N 0 3 292.343 -1.181 20 0 CAADHN O=C(NCCN[C@@H]1CCCNC1=O)c1c[nH]c(=O)cn1 ZINC001133016327 776755651 /nfs/dbraw/zinc/75/56/51/776755651.db2.gz UGWUDBROLRKSAS-MRVPVSSYSA-N 0 3 279.300 -1.632 20 0 CAADHN Cc1ncc2n1C[C@@H](C(=O)NCCNCC(N)=O)CC2 ZINC001133004847 776755743 /nfs/dbraw/zinc/75/57/43/776755743.db2.gz MERNEPHQWOTYQZ-JTQLQIEISA-N 0 3 279.344 -1.055 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCCc2nn[nH]c21 ZINC001132997849 776755904 /nfs/dbraw/zinc/75/59/04/776755904.db2.gz LVGKYIHFTBJCSJ-QMMMGPOBSA-N 0 3 280.332 -1.324 20 0 CAADHN C[C@H](NCCNC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001133009548 776756223 /nfs/dbraw/zinc/75/62/23/776756223.db2.gz IRWGOCTXZQPPOG-LURJTMIESA-N 0 3 253.262 -2.037 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1c[nH]c(=O)cn1 ZINC001133016386 776756522 /nfs/dbraw/zinc/75/65/22/776756522.db2.gz WMYMFVOFQNMLPK-ZETCQYMHSA-N 0 3 265.273 -2.022 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CCCc2nn[nH]c21 ZINC001133000971 776756532 /nfs/dbraw/zinc/75/65/32/776756532.db2.gz OXUZKDMEAVNTOF-SCZZXKLOSA-N 0 3 292.343 -1.181 20 0 CAADHN Cn1cc(OCC(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001132961749 776756631 /nfs/dbraw/zinc/75/66/31/776756631.db2.gz ZESKSBSLLODSPN-UHFFFAOYSA-N 0 3 298.303 -2.300 20 0 CAADHN C[C@@H](NCCNC(=O)c1c[nH]c(=O)cn1)C(N)=O ZINC001133009549 776756661 /nfs/dbraw/zinc/75/66/61/776756661.db2.gz IRWGOCTXZQPPOG-ZCFIWIBFSA-N 0 3 253.262 -2.037 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2c[nH]c(=O)cn2)C1=O ZINC001133013518 776757348 /nfs/dbraw/zinc/75/73/48/776757348.db2.gz MMAVZKAQFOOWIA-QMMMGPOBSA-N 0 3 279.300 -1.680 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)CCC[NH+](C)C)nc1=O ZINC001133040173 776757459 /nfs/dbraw/zinc/75/74/59/776757459.db2.gz DYEIQRZSXUGIPN-UHFFFAOYSA-N 0 3 284.364 -1.344 20 0 CAADHN C[C@@H](NCCNC(=O)c1c[nH]c(=O)cn1)C(=O)NC(N)=O ZINC001133013557 776757558 /nfs/dbraw/zinc/75/75/58/776757558.db2.gz OACXOMYXJSPHPG-ZCFIWIBFSA-N 0 3 296.287 -2.327 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)c2c[nH]c(=O)cn2)C1=O ZINC001133009793 776757572 /nfs/dbraw/zinc/75/75/72/776757572.db2.gz UFBMGTOMEYFGLR-SECBINFHSA-N 0 3 293.327 -1.290 20 0 CAADHN O=C(CNCCNC(=O)c1c[nH]c(=O)cn1)N1CCCC1 ZINC001133013802 776757610 /nfs/dbraw/zinc/75/76/10/776757610.db2.gz VVKLJNIKIQLQPN-UHFFFAOYSA-N 0 3 293.327 -1.288 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1c[nH]c(=O)cn1 ZINC001133009898 776757653 /nfs/dbraw/zinc/75/76/53/776757653.db2.gz WCSBCXPPZBKAML-UHFFFAOYSA-N 0 3 282.260 -2.716 20 0 CAADHN C[C@@H](NCCNC(=O)c1c[nH]c(=O)cn1)C(=O)NC1CC1 ZINC001133013529 776757819 /nfs/dbraw/zinc/75/78/19/776757819.db2.gz MZKQLCSIGZGNBA-MRVPVSSYSA-N 0 3 293.327 -1.244 20 0 CAADHN O=C(CNCCNC(=O)c1c[nH]c(=O)cn1)NCC1CC1 ZINC001133013608 776757873 /nfs/dbraw/zinc/75/78/73/776757873.db2.gz QUUASWOPEJNLGJ-UHFFFAOYSA-N 0 3 293.327 -1.385 20 0 CAADHN O=C(CNCCNC(=O)c1c[nH]c(=O)cn1)N1CCC1 ZINC001133013404 776757926 /nfs/dbraw/zinc/75/79/26/776757926.db2.gz HGUKQFRMIOCYCS-UHFFFAOYSA-N 0 3 279.300 -1.678 20 0 CAADHN CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111524 776758978 /nfs/dbraw/zinc/75/89/78/776758978.db2.gz FRXFLQMKSDQJLR-ZJUUUORDSA-N 0 3 299.375 -1.466 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111589 776759086 /nfs/dbraw/zinc/75/90/86/776759086.db2.gz HOYUTCAWQZMTCA-ZETCQYMHSA-N 0 3 257.294 -2.538 20 0 CAADHN CCC(C)(C)NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111747 776759089 /nfs/dbraw/zinc/75/90/89/776759089.db2.gz NJCJYZZNTOZQBK-SECBINFHSA-N 0 3 299.375 -1.322 20 0 CAADHN CC(C)[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111521 776759118 /nfs/dbraw/zinc/75/91/18/776759118.db2.gz FRXFLQMKSDQJLR-NXEZZACHSA-N 0 3 299.375 -1.466 20 0 CAADHN CCN(CC)C(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111773 776759133 /nfs/dbraw/zinc/75/91/33/776759133.db2.gz NTJKFKCPGHSQDO-VIFPVBQESA-N 0 3 285.348 -1.758 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111614 776759243 /nfs/dbraw/zinc/75/92/43/776759243.db2.gz IWXFBOFPOMSCRQ-VIFPVBQESA-N 0 3 285.348 -1.760 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133111613 776759296 /nfs/dbraw/zinc/75/92/96/776759296.db2.gz IWXFBOFPOMSCRQ-SECBINFHSA-N 0 3 285.348 -1.760 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CNC(=O)N1 ZINC001133111975 776760290 /nfs/dbraw/zinc/76/02/90/776760290.db2.gz VOVRPSMTRPXKIE-RQJHMYQMSA-N 0 3 255.278 -2.738 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133115021 776760304 /nfs/dbraw/zinc/76/03/04/776760304.db2.gz CWXWEHDFKBTQOP-NKWVEPMBSA-N 0 3 257.294 -2.492 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CNC(=O)N1)C(=O)N(C)C ZINC001133114976 776760344 /nfs/dbraw/zinc/76/03/44/776760344.db2.gz CHPDJNNBJFYAEN-HTQZYQBOSA-N 0 3 271.321 -2.150 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133115020 776760449 /nfs/dbraw/zinc/76/04/49/776760449.db2.gz CWXWEHDFKBTQOP-BQBZGAKWSA-N 0 3 257.294 -2.492 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CNC(=O)N1 ZINC001133111971 776760692 /nfs/dbraw/zinc/76/06/92/776760692.db2.gz VOVRPSMTRPXKIE-BQBZGAKWSA-N 0 3 255.278 -2.738 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133111923 776760751 /nfs/dbraw/zinc/76/07/51/776760751.db2.gz SUVBUSDVHSKZSN-LURJTMIESA-N 0 3 286.292 -3.171 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133115023 776760845 /nfs/dbraw/zinc/76/08/45/776760845.db2.gz CWXWEHDFKBTQOP-RQJHMYQMSA-N 0 3 257.294 -2.492 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133112272 776760886 /nfs/dbraw/zinc/76/08/86/776760886.db2.gz YLODTQCULFTZCI-RKDXNWHRSA-N 0 3 285.348 -1.712 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H]1CNC(=O)N1 ZINC001133115377 776761622 /nfs/dbraw/zinc/76/16/22/776761622.db2.gz LVWBLGIXLUKLJE-RQJHMYQMSA-N 0 3 283.288 -2.821 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001133115560 776761635 /nfs/dbraw/zinc/76/16/35/776761635.db2.gz POFDDRHKKWMMST-IUCAKERBSA-N 0 3 283.332 -2.006 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133115305 776761683 /nfs/dbraw/zinc/76/16/83/776761683.db2.gz JVCSYEPNUKWIGP-VIFPVBQESA-N 0 3 285.348 -1.854 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001133115579 776761765 /nfs/dbraw/zinc/76/17/65/776761765.db2.gz PSGWEXXPHHSAAA-NKWVEPMBSA-N 0 3 257.294 -2.363 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CNC(=O)N1)C(N)=O ZINC001133115580 776761774 /nfs/dbraw/zinc/76/17/74/776761774.db2.gz PSGWEXXPHHSAAA-RNFRBKRXSA-N 0 3 257.294 -2.363 20 0 CAADHN CC(C)(C)CNC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133115527 776761893 /nfs/dbraw/zinc/76/18/93/776761893.db2.gz PADUUDDVJYMWKV-VIFPVBQESA-N 0 3 299.375 -1.464 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NC(C)(C)C ZINC001133121531 776762822 /nfs/dbraw/zinc/76/28/22/776762822.db2.gz JUWBKOGZLGFEJN-IUCAKERBSA-N 0 3 299.375 -1.323 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001133121412 776762936 /nfs/dbraw/zinc/76/29/36/776762936.db2.gz IIOQCFBEMFXCHX-SCZZXKLOSA-N 0 3 297.359 -1.712 20 0 CAADHN CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121000 776762981 /nfs/dbraw/zinc/76/29/81/776762981.db2.gz FLTQLGOJYYXTDA-NXEZZACHSA-N 0 3 299.375 -1.322 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CNC(=O)N2)C1=O ZINC001133118614 776762998 /nfs/dbraw/zinc/76/29/98/776762998.db2.gz PPJDWTWWJMZNIS-HTQZYQBOSA-N 0 3 269.305 -2.396 20 0 CAADHN CCC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133121003 776763063 /nfs/dbraw/zinc/76/30/63/776763063.db2.gz FLTQLGOJYYXTDA-ZJUUUORDSA-N 0 3 299.375 -1.322 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CNC(=O)N1)C(=O)NC(N)=O ZINC001133120957 776763084 /nfs/dbraw/zinc/76/30/84/776763084.db2.gz DSKDWNBWDAXHSJ-NTSWFWBYSA-N 0 3 286.292 -3.043 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CNC(=O)N1)C(=O)NC(N)=O ZINC001133120972 776763140 /nfs/dbraw/zinc/76/31/40/776763140.db2.gz DSKDWNBWDAXHSJ-WDSKDSINSA-N 0 3 286.292 -3.043 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001133118617 776763148 /nfs/dbraw/zinc/76/31/48/776763148.db2.gz PPJDWTWWJMZNIS-SFYZADRCSA-N 0 3 269.305 -2.396 20 0 CAADHN COc1ccc(CNCCNC(=O)[C@@H]2CNC(=O)N2)cn1 ZINC001133128717 776764017 /nfs/dbraw/zinc/76/40/17/776764017.db2.gz MFBLREAXYHKEMA-JTQLQIEISA-N 0 3 293.327 -1.023 20 0 CAADHN COc1ccc(CNCCNC(=O)[C@H]2CNC(=O)N2)cn1 ZINC001133128718 776764262 /nfs/dbraw/zinc/76/42/62/776764262.db2.gz MFBLREAXYHKEMA-SNVBAGLBSA-N 0 3 293.327 -1.023 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CNC(=O)N1)NCC1CCC1 ZINC001133128585 776764339 /nfs/dbraw/zinc/76/43/39/776764339.db2.gz HZLSCWJXSYDGKC-JTQLQIEISA-N 0 3 297.359 -1.710 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)[C@@H]2CNC(=O)N2)C1=O ZINC001133122341 776764492 /nfs/dbraw/zinc/76/44/92/776764492.db2.gz SSEBZCDALLUPGK-UWVGGRQHSA-N 0 3 297.359 -1.617 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133128372 776764608 /nfs/dbraw/zinc/76/46/08/776764608.db2.gz CMUBREIYXRNJAO-SECBINFHSA-N 0 3 266.305 -1.693 20 0 CAADHN CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133122611 776764716 /nfs/dbraw/zinc/76/47/16/776764716.db2.gz WMLSHJVWMZNUAR-VHSXEESVSA-N 0 3 299.375 -1.371 20 0 CAADHN CCN(C(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1)C1CC1 ZINC001133122078 776764792 /nfs/dbraw/zinc/76/47/92/776764792.db2.gz PZJWRDSCZSZEEF-JTQLQIEISA-N 0 3 297.359 -1.616 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CNC(=O)N1 ZINC001133121931 776764871 /nfs/dbraw/zinc/76/48/71/776764871.db2.gz PABUSFXCVXLDHL-DTWKUNHWSA-N 0 3 285.348 -1.712 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133187864 776765360 /nfs/dbraw/zinc/76/53/60/776765360.db2.gz JQTRIVPVSRVXFR-VIFPVBQESA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@H](NCCNC(=O)CCCS(N)(=O)=O)C(N)=O ZINC001133151766 776765565 /nfs/dbraw/zinc/76/55/65/776765565.db2.gz JANRMVYCXXOTLR-ZETCQYMHSA-N 0 3 280.350 -2.365 20 0 CAADHN C[C@@H]1CCN(C(=O)c2nc[n-]n2)C[C@@H]1C[NH2+]CC(N)=O ZINC001133181953 776765710 /nfs/dbraw/zinc/76/57/10/776765710.db2.gz LRMRSBHJIFCOGD-BDAKNGLRSA-N 0 3 280.332 -1.022 20 0 CAADHN C[C@H]1CCN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+]CC(N)=O ZINC001133181954 776765810 /nfs/dbraw/zinc/76/58/10/776765810.db2.gz LRMRSBHJIFCOGD-DTWKUNHWSA-N 0 3 280.332 -1.022 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133128989 776765861 /nfs/dbraw/zinc/76/58/61/776765861.db2.gz SKQZHYMGYMGROU-QMMMGPOBSA-N 0 3 285.348 -1.712 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133188101 776765904 /nfs/dbraw/zinc/76/59/04/776765904.db2.gz PZDAKDQBXNLCOV-UHFFFAOYSA-N 0 3 270.333 -1.518 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001133129376 776766043 /nfs/dbraw/zinc/76/60/43/776766043.db2.gz XQURSXLSAIMCJG-VIFPVBQESA-N 0 3 266.305 -1.693 20 0 CAADHN CC[C@@H](NCCNC(=O)CCCS(N)(=O)=O)C(N)=O ZINC001133151769 776766202 /nfs/dbraw/zinc/76/62/02/776766202.db2.gz JIGXXEVNTYNZPQ-MRVPVSSYSA-N 0 3 294.377 -1.975 20 0 CAADHN CNC(=O)CNCCNC(=O)CCCS(N)(=O)=O ZINC001133148193 776766355 /nfs/dbraw/zinc/76/63/55/776766355.db2.gz JRQINRHHBFXPAB-UHFFFAOYSA-N 0 3 280.350 -2.493 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133188071 776766400 /nfs/dbraw/zinc/76/64/00/776766400.db2.gz OGYJYEWHKQYUCN-UHFFFAOYSA-N 0 3 270.333 -1.516 20 0 CAADHN Cc1cccc(OC[C@H](O)CNCCNC(=O)C(N)=O)c1 ZINC001133200400 776766805 /nfs/dbraw/zinc/76/68/05/776766805.db2.gz KRYBYJDLAFZMHB-LLVKDONJSA-N 0 3 295.339 -1.074 20 0 CAADHN CN(C(=O)CNCCNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001133184704 776766845 /nfs/dbraw/zinc/76/68/45/776766845.db2.gz BUYZODRZOGRDAL-UHFFFAOYSA-N 0 3 282.344 -1.422 20 0 CAADHN NC(=O)C1(C(=O)NCCNCC(=O)NCC2CC2)CC1 ZINC001133185097 776766989 /nfs/dbraw/zinc/76/69/89/776766989.db2.gz SOGNBQNZDYIQIM-UHFFFAOYSA-N 0 3 282.344 -1.516 20 0 CAADHN Cn1nccc1CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133185126 776767621 /nfs/dbraw/zinc/76/76/21/776767621.db2.gz VAKOLUQLUVYQFF-UHFFFAOYSA-N 0 3 265.317 -1.109 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133187751 776767671 /nfs/dbraw/zinc/76/76/71/776767671.db2.gz HZEIMSBWPBYYGG-UHFFFAOYSA-N 0 3 284.360 -1.176 20 0 CAADHN NC(=O)C1(C(=O)NCCNCC(=O)N2CCC2)CC1 ZINC001133184997 776767691 /nfs/dbraw/zinc/76/76/91/776767691.db2.gz PCDQQLCXRINBTG-UHFFFAOYSA-N 0 3 268.317 -1.810 20 0 CAADHN Cn1cncc1CNCCNC(=O)C1(C(N)=O)CC1 ZINC001133184751 776767777 /nfs/dbraw/zinc/76/77/77/776767777.db2.gz FGGPOEXCVDRBFV-UHFFFAOYSA-N 0 3 265.317 -1.109 20 0 CAADHN Cc1ccccc1OC[C@H](O)CNCCNC(=O)C(N)=O ZINC001133201245 776768351 /nfs/dbraw/zinc/76/83/51/776768351.db2.gz WICMQTNJNUVPRR-LLVKDONJSA-N 0 3 295.339 -1.074 20 0 CAADHN CC[C@H](NCCNC(=O)C1(C(N)=O)CC1)C(N)=O ZINC001133189349 776768434 /nfs/dbraw/zinc/76/84/34/776768434.db2.gz RUVUNODDABZPJM-ZETCQYMHSA-N 0 3 256.306 -1.778 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001133188431 776768704 /nfs/dbraw/zinc/76/87/04/776768704.db2.gz ZAXQPAXKMIKJON-VIFPVBQESA-N 0 3 282.344 -1.422 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)C1(C(N)=O)CC1 ZINC001133189811 776768597 /nfs/dbraw/zinc/76/85/97/776768597.db2.gz ZXQLRNBZDAEPNQ-SECBINFHSA-N 0 3 284.360 -1.128 20 0 CAADHN C[C@@H](NCCNC(=O)C1(C(N)=O)CC1)C(=O)NC1CC1 ZINC001133189400 776768632 /nfs/dbraw/zinc/76/86/32/776768632.db2.gz UULIJZZIXLUVGS-MRVPVSSYSA-N 0 3 282.344 -1.375 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C1(C(N)=O)CC1 ZINC001133189030 776768640 /nfs/dbraw/zinc/76/86/40/776768640.db2.gz JVTIBYBTGZNLJL-SSDOTTSWSA-N 0 3 256.306 -1.908 20 0 CAADHN CN1CC[C@H](NCCNC(=O)C2(C(N)=O)CC2)C1=O ZINC001133189333 776768815 /nfs/dbraw/zinc/76/88/15/776768815.db2.gz RCFSVVDESZHAOC-QMMMGPOBSA-N 0 3 268.317 -1.812 20 0 CAADHN CCN(C(=O)CNCCNC(=O)C1(C(N)=O)CC1)C1CC1 ZINC001133188988 776768859 /nfs/dbraw/zinc/76/88/59/776768859.db2.gz HNTSGYBRWVEZKM-UHFFFAOYSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@H](NCCNC(=O)C1(C(N)=O)CC1)C(=O)N(C)C ZINC001133189025 776768962 /nfs/dbraw/zinc/76/89/62/776768962.db2.gz JSIYFOBQJSZTDN-QMMMGPOBSA-N 0 3 270.333 -1.566 20 0 CAADHN NC(=O)C(=O)NCCNC[C@H](O)COc1ccc(F)cc1 ZINC001133197201 776770803 /nfs/dbraw/zinc/77/08/03/776770803.db2.gz WKGWEVRHNHQDFQ-JTQLQIEISA-N 0 3 299.302 -1.244 20 0 CAADHN CO[C@H](C(=O)NCCNCC(=O)NC(N)=O)C(C)C ZINC001133341482 776776327 /nfs/dbraw/zinc/77/63/27/776776327.db2.gz AUXJHLGRTQVMCC-VIFPVBQESA-N 0 3 274.321 -1.442 20 0 CAADHN NC(=O)C(=O)NCCNC[C@@H](O)COc1ccc(F)cc1 ZINC001133197202 776771480 /nfs/dbraw/zinc/77/14/80/776771480.db2.gz WKGWEVRHNHQDFQ-SNVBAGLBSA-N 0 3 299.302 -1.244 20 0 CAADHN CCS(=O)(=O)CCCNCCNC(=O)C(N)=O ZINC001133197918 776771634 /nfs/dbraw/zinc/77/16/34/776771634.db2.gz BZLHJCGFXKIMRT-UHFFFAOYSA-N 0 3 265.335 -1.998 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133335444 776775270 /nfs/dbraw/zinc/77/52/70/776775270.db2.gz VCNKLXMYJVWKDW-SSDOTTSWSA-N 0 3 269.305 -1.420 20 0 CAADHN Cn1cc(C(=O)NCCN[C@H]2CCNC2=O)[nH]c1=O ZINC001133334996 776775349 /nfs/dbraw/zinc/77/53/49/776775349.db2.gz GSEWWMPLFWGUOL-ZETCQYMHSA-N 0 3 267.289 -1.666 20 0 CAADHN C[C@@H]1C[C@H]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001133342728 776775399 /nfs/dbraw/zinc/77/53/99/776775399.db2.gz KVFKNFDSUKLKKL-SFYZADRCSA-N 0 3 256.306 -1.067 20 0 CAADHN C[C@H]1CC[C@H](CC(=O)NCCNCC(=O)NC(N)=O)O1 ZINC001133322155 776775476 /nfs/dbraw/zinc/77/54/76/776775476.db2.gz HDXVYFATFTZMFM-DTWKUNHWSA-N 0 3 286.332 -1.155 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)NC(N)=O)[nH]c1=O ZINC001133334999 776775704 /nfs/dbraw/zinc/77/57/04/776775704.db2.gz HBYFDKPMLJWFRO-UHFFFAOYSA-N 0 3 284.276 -2.360 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCCNC2=O)[nH]c1=O ZINC001133335345 776776239 /nfs/dbraw/zinc/77/62/39/776776239.db2.gz QLFYPEGJRVLLRT-MRVPVSSYSA-N 0 3 281.316 -1.276 20 0 CAADHN CO[C@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)C(C)C ZINC001133338275 776776250 /nfs/dbraw/zinc/77/62/50/776776250.db2.gz IGOGOQHVLNBADP-BDAKNGLRSA-N 0 3 288.348 -1.053 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133335445 776776451 /nfs/dbraw/zinc/77/64/51/776776451.db2.gz VCNKLXMYJVWKDW-ZETCQYMHSA-N 0 3 269.305 -1.420 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(C)c(=O)[nH]1 ZINC001133332797 776776467 /nfs/dbraw/zinc/77/64/67/776776467.db2.gz YEQLHWUQTKKRLM-UHFFFAOYSA-N 0 3 255.278 -1.809 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)N2CCC2)[nH]c1=O ZINC001133332705 776776743 /nfs/dbraw/zinc/77/67/43/776776743.db2.gz UTBOMTDCZPUEBY-UHFFFAOYSA-N 0 3 281.316 -1.323 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1n[nH]cc1F ZINC001133471527 776777332 /nfs/dbraw/zinc/77/73/32/776777332.db2.gz ZMWZLCNQYNQCOM-UHFFFAOYSA-N 0 3 272.240 -1.937 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133467926 776777542 /nfs/dbraw/zinc/77/75/42/776777542.db2.gz TWXJEYWQMOIZLK-LBPRGKRZSA-N 0 3 270.333 -1.503 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)c(=O)[nH]1)C(=O)N(C)C ZINC001133347486 776777565 /nfs/dbraw/zinc/77/75/65/776777565.db2.gz DEOUIWCYKOMJGV-MRVPVSSYSA-N 0 3 283.332 -1.078 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1n[nH]cc1F ZINC001133480837 776777618 /nfs/dbraw/zinc/77/76/18/776777618.db2.gz CHPUSQPJMMMYHF-UHFFFAOYSA-N 0 3 286.267 -1.676 20 0 CAADHN CC[C@H](NCCNC(=O)c1cn(C)c(=O)[nH]1)C(N)=O ZINC001133351482 776777743 /nfs/dbraw/zinc/77/77/43/776777743.db2.gz WRQCHHMFVFNRAU-ZETCQYMHSA-N 0 3 269.305 -1.291 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NCC2CC2)CCC(=O)N1 ZINC001133468102 776777809 /nfs/dbraw/zinc/77/78/09/776777809.db2.gz UEOYBHSANLAEGL-AWEZNQCLSA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](OC)C(C)C ZINC001133343172 776777898 /nfs/dbraw/zinc/77/78/98/776777898.db2.gz PALRPCPDANOVDK-SNVBAGLBSA-N 0 3 288.348 -1.181 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1n[nH]cc1F ZINC001133470509 776778322 /nfs/dbraw/zinc/77/83/22/776778322.db2.gz JVUWEGJUGLSUNC-UHFFFAOYSA-N 0 3 293.324 -1.583 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)c(=O)[nH]1)C(=O)NC(N)=O ZINC001133350081 776778463 /nfs/dbraw/zinc/77/84/63/776778463.db2.gz BAMLALSWQPAJKD-ZCFIWIBFSA-N 0 3 298.303 -1.972 20 0 CAADHN Cn1cc(C(=O)NCCN[C@@H]2CCN(C)C2=O)[nH]c1=O ZINC001133351126 776778475 /nfs/dbraw/zinc/77/84/75/776778475.db2.gz RBJSSDMVYVBMIL-MRVPVSSYSA-N 0 3 281.316 -1.324 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1n[nH]cc1F ZINC001133481092 776778482 /nfs/dbraw/zinc/77/84/82/776778482.db2.gz OLSSLHPKUIWLCO-ZETCQYMHSA-N 0 3 255.253 -1.243 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cn(C)c(=O)[nH]1)C(N)=O ZINC001133351481 776778536 /nfs/dbraw/zinc/77/85/36/776778536.db2.gz WRQCHHMFVFNRAU-SSDOTTSWSA-N 0 3 269.305 -1.291 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCNC2=O)CCC(=O)N1 ZINC001133473009 776778543 /nfs/dbraw/zinc/77/85/43/776778543.db2.gz CPSCSPIXSVUUFC-UFBFGSQYSA-N 0 3 268.317 -1.751 20 0 CAADHN CO[C@@H](CC(C)C)C(=O)NCCNCC(=O)NC(N)=O ZINC001133454016 776778550 /nfs/dbraw/zinc/77/85/50/776778550.db2.gz FDOQJNKRSLDRML-VIFPVBQESA-N 0 3 288.348 -1.052 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H](COC)OC)C(N)=O ZINC001133508320 776779093 /nfs/dbraw/zinc/77/90/93/776779093.db2.gz GFLVAMISQQKQTJ-RKDXNWHRSA-N 0 3 261.322 -1.383 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CCC(=O)N1 ZINC001133473479 776779051 /nfs/dbraw/zinc/77/90/51/776779051.db2.gz JWBHXDNNMVXZKX-SDBXPKJASA-N 0 3 296.327 -1.834 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)[C@H]1CCCO1 ZINC001133524158 776779217 /nfs/dbraw/zinc/77/92/17/776779217.db2.gz IENMDZRXFJUFRN-RKDXNWHRSA-N 0 3 286.332 -1.298 20 0 CAADHN C[C@H](NCCNC(=O)c1n[nH]cc1F)C(=O)NC(N)=O ZINC001133485223 776779303 /nfs/dbraw/zinc/77/93/03/776779303.db2.gz YWSPAJLCSPNISY-YFKPBYRVSA-N 0 3 286.267 -1.548 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CCC(=O)N1)C(=O)N(C)C ZINC001133473348 776779877 /nfs/dbraw/zinc/77/98/77/776779877.db2.gz IVEDVNXTGAFPEH-ZANVPECISA-N 0 3 284.360 -1.162 20 0 CAADHN COC[C@H](OC)C(=O)NCCNCC(=O)N1CCCC1 ZINC001133512248 776779919 /nfs/dbraw/zinc/77/99/19/776779919.db2.gz AHKLBTCEAYBDQQ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H](COC)OC)C(N)=O ZINC001133508318 776779929 /nfs/dbraw/zinc/77/99/29/776779929.db2.gz GFLVAMISQQKQTJ-IUCAKERBSA-N 0 3 261.322 -1.383 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@]1(C)CCC(=O)N1 ZINC001133473830 776779989 /nfs/dbraw/zinc/77/99/89/776779989.db2.gz QXHTTZDHEHPQCW-PELKAZGASA-N 0 3 270.333 -1.505 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H](COC)OC)C(N)=O ZINC001133508315 776780085 /nfs/dbraw/zinc/78/00/85/776780085.db2.gz GFLVAMISQQKQTJ-DTWKUNHWSA-N 0 3 261.322 -1.383 20 0 CAADHN COC[C@H](OC)C(=O)NCCNCCNS(C)(=O)=O ZINC001133508232 776780109 /nfs/dbraw/zinc/78/01/09/776780109.db2.gz FAZNDDOXOHSJPJ-VIFPVBQESA-N 0 3 297.377 -2.097 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001133517160 776781024 /nfs/dbraw/zinc/78/10/24/776781024.db2.gz KVGUILYINVNVTR-BDAKNGLRSA-N 0 3 287.316 -1.841 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H](COC)OC ZINC001133516936 776781064 /nfs/dbraw/zinc/78/10/64/776781064.db2.gz IAFDRTRAVYBNJA-MRVPVSSYSA-N 0 3 290.320 -2.191 20 0 CAADHN COC[C@H](OC)C(=O)NCCNCC(=O)NCC1CC1 ZINC001133517804 776781079 /nfs/dbraw/zinc/78/10/79/776781079.db2.gz UMYRMFSDDIXWGI-NSHDSACASA-N 0 3 287.360 -1.120 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@@H](COC)OC ZINC001133517563 776781097 /nfs/dbraw/zinc/78/10/97/776781097.db2.gz OUWRHZQONUYYDZ-SNVBAGLBSA-N 0 3 275.349 -1.120 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](COC)OC ZINC001133519796 776781115 /nfs/dbraw/zinc/78/11/15/776781115.db2.gz ZKSXQHKTOYLFBN-BDAKNGLRSA-N 0 3 261.322 -1.512 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@H](COC)OC ZINC001133516937 776781281 /nfs/dbraw/zinc/78/12/81/776781281.db2.gz IAFDRTRAVYBNJA-QMMMGPOBSA-N 0 3 290.320 -2.191 20 0 CAADHN COC[C@H](OC)C(=O)NCCN[C@H]1CCCNC1=O ZINC001133516399 776781303 /nfs/dbraw/zinc/78/13/03/776781303.db2.gz ADOWWBAWPFXSKK-UWVGGRQHSA-N 0 3 273.333 -1.368 20 0 CAADHN COC[C@@H](OC)C(=O)NCCN[C@@H]1CCCN(C)C1=O ZINC001133517297 776781357 /nfs/dbraw/zinc/78/13/57/776781357.db2.gz MGWZFYJFSNURKP-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN Cn1c(=O)cccc1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001133621614 776783151 /nfs/dbraw/zinc/78/31/51/776783151.db2.gz JIWJSOMLOANMAV-SNVBAGLBSA-N 0 3 292.339 -1.017 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133677052 776783307 /nfs/dbraw/zinc/78/33/07/776783307.db2.gz DOHHEFUKYAHMDP-SECBINFHSA-N 0 3 270.333 -1.503 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCCC(=O)N1)C(N)=O ZINC001133680811 776783321 /nfs/dbraw/zinc/78/33/21/776783321.db2.gz DHEVZCAGWZWXPO-RKDXNWHRSA-N 0 3 270.333 -1.375 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cccc(=O)n1C ZINC001133621561 776783527 /nfs/dbraw/zinc/78/35/27/776783527.db2.gz HKSBFYGYKVQBQT-UHFFFAOYSA-N 0 3 280.328 -1.207 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCCCC(=O)N1 ZINC001133684395 776783825 /nfs/dbraw/zinc/78/38/25/776783825.db2.gz HZYNHYMTZGDDQD-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cccc(=O)n2C)C1=O ZINC001133643820 776783866 /nfs/dbraw/zinc/78/38/66/776783866.db2.gz WLCKWJPNPXBVGF-SNVBAGLBSA-N 0 3 292.339 -1.065 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCCCC(=O)N1)N1CCC1 ZINC001133680802 776783881 /nfs/dbraw/zinc/78/38/81/776783881.db2.gz DBFUEAAZYCEWIV-NSHDSACASA-N 0 3 296.371 -1.017 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133681524 776784001 /nfs/dbraw/zinc/78/40/01/776784001.db2.gz RFDHUDAAWWRHCN-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cccc(=O)n1C ZINC001133643605 776784066 /nfs/dbraw/zinc/78/40/66/776784066.db2.gz RNQMEGDBMVLGCD-SECBINFHSA-N 0 3 280.328 -1.161 20 0 CAADHN CC[C@H](NCCNC(=O)c1cc(C(N)=O)co1)C(N)=O ZINC001133705316 776784545 /nfs/dbraw/zinc/78/45/45/776784545.db2.gz XBOBCMFPKUFFLE-QMMMGPOBSA-N 0 3 282.300 -1.038 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@]1(C)CCNC1=O ZINC001133752502 776784642 /nfs/dbraw/zinc/78/46/42/776784642.db2.gz DFDACQAANYUSOE-LBPRGKRZSA-N 0 3 270.333 -1.646 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@]1(C)CCNC1=O)C1CC1 ZINC001133754518 776784706 /nfs/dbraw/zinc/78/47/06/776784706.db2.gz UXDZFKWJIXLVIP-CQSZACIVSA-N 0 3 296.371 -1.161 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@]1(C)CCNC1=O ZINC001133753434 776784753 /nfs/dbraw/zinc/78/47/53/776784753.db2.gz JTFOZDYKGXKCAV-ZDUSSCGKSA-N 0 3 284.360 -1.257 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@]1(C)CCNC1=O ZINC001133754530 776784790 /nfs/dbraw/zinc/78/47/90/776784790.db2.gz VBHMAGGIQCFNFG-CYBMUJFWSA-N 0 3 284.360 -1.255 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cc(C(N)=O)co1 ZINC001133708943 776784859 /nfs/dbraw/zinc/78/48/59/776784859.db2.gz GNMMGTZKZFJPKX-UHFFFAOYSA-N 0 3 282.300 -1.166 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCCC(=O)N1 ZINC001133684390 776784901 /nfs/dbraw/zinc/78/49/01/776784901.db2.gz HZYNHYMTZGDDQD-NXEZZACHSA-N 0 3 284.360 -1.115 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cc(C(N)=O)co2)C1=O ZINC001133704153 776785185 /nfs/dbraw/zinc/78/51/85/776785185.db2.gz AMINMFJDWQHFPH-VIFPVBQESA-N 0 3 294.311 -1.071 20 0 CAADHN C[C@H](NCCNC(=O)c1cc(C(N)=O)co1)C(N)=O ZINC001133704739 776785207 /nfs/dbraw/zinc/78/52/07/776785207.db2.gz OZEODBOESXLWFY-LURJTMIESA-N 0 3 268.273 -1.428 20 0 CAADHN C[C@H](NCCNC(=O)[C@@]1(C)CCNC1=O)C(N)=O ZINC001133753403 776785298 /nfs/dbraw/zinc/78/52/98/776785298.db2.gz JKCVVDLFBKFGQN-CPCISQLKSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@]1(C)CCNC1=O ZINC001133753716 776785516 /nfs/dbraw/zinc/78/55/16/776785516.db2.gz LBBCFFWRPCHXCM-NSHDSACASA-N 0 3 256.306 -2.036 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@]1(C)CCNC1=O ZINC001133752284 776785632 /nfs/dbraw/zinc/78/56/32/776785632.db2.gz BWTCPHLALZPRFZ-CYBMUJFWSA-N 0 3 284.360 -1.303 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cc(C(N)=O)co1)C(N)=O ZINC001133705215 776785684 /nfs/dbraw/zinc/78/56/84/776785684.db2.gz XBOBCMFPKUFFLE-MRVPVSSYSA-N 0 3 282.300 -1.038 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cc(C(N)=O)co2)C1=O ZINC001133704152 776785691 /nfs/dbraw/zinc/78/56/91/776785691.db2.gz AMINMFJDWQHFPH-SECBINFHSA-N 0 3 294.311 -1.071 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NC2CC2)CCNC1=O ZINC001133754748 776786409 /nfs/dbraw/zinc/78/64/09/776786409.db2.gz WZBGUNIDAIZXGX-CYBMUJFWSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CCNC1=O)C(=O)NC(N)=O ZINC001133754670 776786454 /nfs/dbraw/zinc/78/64/54/776786454.db2.gz WFMVARNYBYQWOF-JVXZTZIISA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCNC2=O)CCNC1=O ZINC001133754756 776786506 /nfs/dbraw/zinc/78/65/06/776786506.db2.gz XBCJTPBZCTXWPR-PRHODGIISA-N 0 3 268.317 -1.893 20 0 CAADHN C[C@]1(C(=O)NCCN[C@@H]2CCCNC2=O)CCNC1=O ZINC001133763074 776786727 /nfs/dbraw/zinc/78/67/27/776786727.db2.gz KDLSJKYSHVMMRO-RNCFNFMXSA-N 0 3 282.344 -1.503 20 0 CAADHN C[C@H](NCCNC(=O)[C@@]1(C)CCNC1=O)C(=O)NC(N)=O ZINC001133754674 776786777 /nfs/dbraw/zinc/78/67/77/776786777.db2.gz WFMVARNYBYQWOF-MADCSZMMSA-N 0 3 299.331 -2.198 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CCNC1=O ZINC001133763449 776786845 /nfs/dbraw/zinc/78/68/45/776786845.db2.gz UFAFMWSCXMJORE-AMIZOPFISA-N 0 3 296.327 -1.976 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)[C@]2(C)CCNC2=O)C1=O ZINC001133762918 776786970 /nfs/dbraw/zinc/78/69/70/776786970.db2.gz ISUJKSDAILAYMX-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@]1(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CCNC1=O ZINC001133763450 776787067 /nfs/dbraw/zinc/78/70/67/776787067.db2.gz UFAFMWSCXMJORE-ISVAXAHUSA-N 0 3 296.327 -1.976 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133773543 776787101 /nfs/dbraw/zinc/78/71/01/776787101.db2.gz JSZXRRYYGPRXLR-HRDYMLBCSA-N 0 3 286.332 -2.140 20 0 CAADHN C[C@@H](NCCNC(=O)[C@]1(C)CCNC1=O)C(=O)NC(N)=O ZINC001133754668 776787161 /nfs/dbraw/zinc/78/71/61/776787161.db2.gz WFMVARNYBYQWOF-JMCQJSRRSA-N 0 3 299.331 -2.198 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133771221 776787172 /nfs/dbraw/zinc/78/71/72/776787172.db2.gz VTUDUADZUCRPMR-WDEREUQCSA-N 0 3 295.343 -1.341 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@@]2(C)CCNC2=O)C1=O ZINC001133762920 776787201 /nfs/dbraw/zinc/78/72/01/776787201.db2.gz ISUJKSDAILAYMX-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@]2(C)CCNC2=O)C1=O ZINC001133766563 776787547 /nfs/dbraw/zinc/78/75/47/776787547.db2.gz HZSNCEUPMCVNEB-TVQRCGJNSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C(N)=O ZINC001133773821 776787587 /nfs/dbraw/zinc/78/75/87/776787587.db2.gz MSFXSMDMAAAVMK-BIIVOSGPSA-N 0 3 272.305 -2.401 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)O1 ZINC001133773810 776787812 /nfs/dbraw/zinc/78/78/12/776787812.db2.gz MELBJGJYXXIIFO-KXUCPTDWSA-N 0 3 298.343 -1.996 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@]1(C)CCNC1=O ZINC001133766477 776787900 /nfs/dbraw/zinc/78/79/00/776787900.db2.gz FWHPZSARHSRDHC-PELKAZGASA-N 0 3 270.333 -1.647 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001133774493 776787964 /nfs/dbraw/zinc/78/79/64/776787964.db2.gz YUWBPGJZZBKNHU-DTWKUNHWSA-N 0 3 286.332 -2.139 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@]2(C)CCNC2=O)C1=O ZINC001133766591 776788262 /nfs/dbraw/zinc/78/82/62/776788262.db2.gz IRVMEZVQAZPGLG-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCCNC(=O)[C@]1(C)CCNC1=O)C(=O)N(C)C ZINC001133766991 776788275 /nfs/dbraw/zinc/78/82/75/776788275.db2.gz SAICYHOCECZFSU-TVQRCGJNSA-N 0 3 284.360 -1.305 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)[C@]2(C)CCNC2=O)C1=O ZINC001133766593 776788317 /nfs/dbraw/zinc/78/83/17/776788317.db2.gz IRVMEZVQAZPGLG-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@]1(C)CCNC1=O)C(N)=O ZINC001133766369 776788405 /nfs/dbraw/zinc/78/84/05/776788405.db2.gz CDOUHMWMUMFAPB-PELKAZGASA-N 0 3 270.333 -1.518 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCN[C@H]2CCCNC2=O)O1 ZINC001133773811 776788474 /nfs/dbraw/zinc/78/84/74/776788474.db2.gz MELBJGJYXXIIFO-LPEHRKFASA-N 0 3 298.343 -1.996 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@]1(C)CCNC1=O)C(=O)N(C)C ZINC001133766990 776788480 /nfs/dbraw/zinc/78/84/80/776788480.db2.gz SAICYHOCECZFSU-RNCFNFMXSA-N 0 3 284.360 -1.305 20 0 CAADHN Cn1cnc2ccc(C(=O)NCCNCC(N)=O)nc21 ZINC001133804638 776788925 /nfs/dbraw/zinc/78/89/25/776788925.db2.gz VYUMZJGRDYSNII-UHFFFAOYSA-N 0 3 276.300 -1.227 20 0 CAADHN Cc1ncccc1CC(=O)NCCNCC(=O)NC(N)=O ZINC001133801132 776789366 /nfs/dbraw/zinc/78/93/66/776789366.db2.gz KFIZZHNESDLINX-UHFFFAOYSA-N 0 3 293.327 -1.167 20 0 CAADHN NC(=O)CNCCNC(=O)C1(CF)CCOCC1 ZINC001133859569 776789652 /nfs/dbraw/zinc/78/96/52/776789652.db2.gz GULKEBUATNDDII-UHFFFAOYSA-N 0 3 261.297 -1.056 20 0 CAADHN CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NCCNCC(N)=O)O1 ZINC001133791343 776789679 /nfs/dbraw/zinc/78/96/79/776789679.db2.gz GGLJKVPNUACKLP-BDAKNGLRSA-N 0 3 286.332 -2.187 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001133911236 776791631 /nfs/dbraw/zinc/79/16/31/776791631.db2.gz DLVJONUHGSQRIK-IEBDPFPHSA-N 0 3 296.371 -1.272 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1Cc2ccncc2C1 ZINC001133877074 776791761 /nfs/dbraw/zinc/79/17/61/776791761.db2.gz QDSGWDUJYZIBNZ-JTQLQIEISA-N 0 3 262.313 -1.013 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133905986 776791838 /nfs/dbraw/zinc/79/18/38/776791838.db2.gz LUFNBNDKSFSMPL-WDEREUQCSA-N 0 3 298.387 -1.105 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001133911234 776791851 /nfs/dbraw/zinc/79/18/51/776791851.db2.gz DLVJONUHGSQRIK-GDPRMGEGSA-N 0 3 296.371 -1.272 20 0 CAADHN Cc1ncc2n1CC[C@H](C(=O)NCCNCC(N)=O)C2 ZINC001133869930 776792259 /nfs/dbraw/zinc/79/22/59/776792259.db2.gz NYTSBBWRLMPMDG-JTQLQIEISA-N 0 3 279.344 -1.055 20 0 CAADHN COc1cc(CC(=O)NCCNCC(N)=O)ccn1 ZINC001133883088 776792381 /nfs/dbraw/zinc/79/23/81/776792381.db2.gz IAXLSTMTZWCHJE-UHFFFAOYSA-N 0 3 266.301 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911150 776792677 /nfs/dbraw/zinc/79/26/77/776792677.db2.gz AOTGXALKRYPQBW-RNJXMRFFSA-N 0 3 256.306 -2.052 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133908389 776792924 /nfs/dbraw/zinc/79/29/24/776792924.db2.gz PGEMYEYBUZEUBY-BDAKNGLRSA-N 0 3 270.333 -1.660 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133911392 776793620 /nfs/dbraw/zinc/79/36/20/776793620.db2.gz HUTMDWMLBWXUCY-RNJXMRFFSA-N 0 3 299.331 -2.342 20 0 CAADHN Cn1ncc(CCC(=O)NCCNCC(=O)N2CCC2)n1 ZINC001133914887 776793816 /nfs/dbraw/zinc/79/38/16/776793816.db2.gz SZRJBOGQPYTULQ-UHFFFAOYSA-N 0 3 294.359 -1.314 20 0 CAADHN Cn1ncc(CCC(=O)NCCN[C@H]2CCNC2=O)n1 ZINC001133914684 776793935 /nfs/dbraw/zinc/79/39/35/776793935.db2.gz OOBXYARFGQJWOM-JTQLQIEISA-N 0 3 280.332 -1.658 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001133921120 776793960 /nfs/dbraw/zinc/79/39/60/776793960.db2.gz CAAAXNOLPBPKFR-VHSXEESVSA-N 0 3 284.360 -1.495 20 0 CAADHN Cn1ncc(CCC(=O)NCCN[C@@H]2CCCNC2=O)n1 ZINC001133914220 776794150 /nfs/dbraw/zinc/79/41/50/776794150.db2.gz DNJFJUQSYUOORM-LLVKDONJSA-N 0 3 294.359 -1.268 20 0 CAADHN CC(C)(C)CNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133912221 776794226 /nfs/dbraw/zinc/79/42/26/776794226.db2.gz XGZQUYSQLOIBIG-ZJUUUORDSA-N 0 3 298.387 -1.024 20 0 CAADHN C[C@@H](NCCNC(=O)CCc1cnn(C)n1)C(N)=O ZINC001133917861 776794250 /nfs/dbraw/zinc/79/42/50/776794250.db2.gz IVQSAXQWMXDPSE-MRVPVSSYSA-N 0 3 268.321 -1.673 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001133922270 776794399 /nfs/dbraw/zinc/79/43/99/776794399.db2.gz SUDRSZBWWIKDLZ-WDEREUQCSA-N 0 3 296.371 -1.305 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C(N)=O ZINC001133922449 776794504 /nfs/dbraw/zinc/79/45/04/776794504.db2.gz UWAJHRXFQIXBGC-HRDYMLBCSA-N 0 3 270.333 -1.710 20 0 CAADHN Cn1ncc(CCC(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001133914685 776794648 /nfs/dbraw/zinc/79/46/48/776794648.db2.gz OOBXYARFGQJWOM-SNVBAGLBSA-N 0 3 280.332 -1.658 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCc1cnn(C)n1 ZINC001133918115 776794772 /nfs/dbraw/zinc/79/47/72/776794772.db2.gz PUKHMPWVEKQFKS-VIFPVBQESA-N 0 3 282.348 -1.412 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C(N)=O ZINC001133925009 776795326 /nfs/dbraw/zinc/79/53/26/776795326.db2.gz DUGQCUOZIYODOR-AEJSXWLSSA-N 0 3 284.360 -1.320 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001133922485 776795437 /nfs/dbraw/zinc/79/54/37/776795437.db2.gz VCIQMJZJLYTJGQ-JGVFFNPUSA-N 0 3 299.331 -2.389 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133932226 776795543 /nfs/dbraw/zinc/79/55/43/776795543.db2.gz SMUUQJMEFQAJQG-BDAKNGLRSA-N 0 3 270.333 -1.660 20 0 CAADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001133925887 776795644 /nfs/dbraw/zinc/79/56/44/776795644.db2.gz VMFAFALUOAWQOP-HBNTYKKESA-N 0 3 296.371 -1.353 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2ccc(C(N)=O)[nH]2)C1=O ZINC001133956535 776795657 /nfs/dbraw/zinc/79/56/57/776795657.db2.gz UOUPFYPRYUXTSE-SNVBAGLBSA-N 0 3 293.327 -1.336 20 0 CAADHN CC[C@H](NCCNC(=O)c1ccc(C(N)=O)[nH]1)C(N)=O ZINC001133955832 776795875 /nfs/dbraw/zinc/79/58/75/776795875.db2.gz AZEXKSKTTIUUOG-ZETCQYMHSA-N 0 3 281.316 -1.303 20 0 CAADHN NC(=O)c1ccc(C(=O)NCCN[C@@H]2CCNC2=O)[nH]1 ZINC001133952444 776795884 /nfs/dbraw/zinc/79/58/84/776795884.db2.gz BRGDHZOOLKSNQB-MRVPVSSYSA-N 0 3 279.300 -1.679 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(C(N)=O)[nH]1)C(N)=O ZINC001133950950 776795928 /nfs/dbraw/zinc/79/59/28/776795928.db2.gz MOYDYRMOPHJEGD-ZCFIWIBFSA-N 0 3 267.289 -1.693 20 0 CAADHN NC(=O)[C@@H]1CC[C@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001133932347 776795991 /nfs/dbraw/zinc/79/59/91/776795991.db2.gz SXSXWXXUGOCEJW-MNOVXSKESA-N 0 3 296.371 -1.174 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(C(N)=O)[nH]1)C(N)=O ZINC001133950949 776796212 /nfs/dbraw/zinc/79/62/12/776796212.db2.gz MOYDYRMOPHJEGD-LURJTMIESA-N 0 3 267.289 -1.693 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(C(N)=O)[nH]1 ZINC001133950952 776796328 /nfs/dbraw/zinc/79/63/28/776796328.db2.gz MQXJORIYNJVZHX-UHFFFAOYSA-N 0 3 253.262 -2.082 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001133939317 776796375 /nfs/dbraw/zinc/79/63/75/776796375.db2.gz HFIHMELGFOSNKN-AEJSXWLSSA-N 0 3 284.360 -1.272 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001133943971 776797121 /nfs/dbraw/zinc/79/71/21/776797121.db2.gz XMSXKEUQESRUGC-MNOVXSKESA-N 0 3 296.371 -1.270 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O)C1CC1 ZINC001133943771 776797138 /nfs/dbraw/zinc/79/71/38/776797138.db2.gz UUPKNISLWIREFF-ZJUUUORDSA-N 0 3 282.344 -1.566 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133943682 776797232 /nfs/dbraw/zinc/79/72/32/776797232.db2.gz RAUFATIWDGXYGN-BDAKNGLRSA-N 0 3 270.333 -1.708 20 0 CAADHN Cn1cc(CNCCNC(=O)[C@H]2C[C@H]2C(N)=O)cn1 ZINC001133942561 776797255 /nfs/dbraw/zinc/79/72/55/776797255.db2.gz BQCWSVDXWSRBKY-ZJUUUORDSA-N 0 3 265.317 -1.253 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)NCC1CC1 ZINC001133942826 776797318 /nfs/dbraw/zinc/79/73/18/776797318.db2.gz HTRWBSGHVHBBDK-ZJUUUORDSA-N 0 3 282.344 -1.660 20 0 CAADHN NC(=O)[C@@H]1C[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001133944021 776797769 /nfs/dbraw/zinc/79/77/69/776797769.db2.gz ZEDIBKPXEUTYCV-ZJUUUORDSA-N 0 3 298.343 -2.328 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1nnc2c1CCCC2)C(N)=O ZINC001133962674 776797847 /nfs/dbraw/zinc/79/78/47/776797847.db2.gz KYBDVLXUFRSWRW-SECBINFHSA-N 0 3 294.359 -1.264 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001133942868 776798143 /nfs/dbraw/zinc/79/81/43/776798143.db2.gz IRELOJYBWGDICW-BDAKNGLRSA-N 0 3 284.360 -1.272 20 0 CAADHN C[C@@H]([NH2+]CCCNC(=O)Cc1nnc[n-]1)C(N)=O ZINC001170716950 776798688 /nfs/dbraw/zinc/79/86/88/776798688.db2.gz ALMBVDSMUHMUFZ-SSDOTTSWSA-N 0 3 254.294 -1.683 20 0 CAADHN CN(C)C(=O)C[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170717229 776798771 /nfs/dbraw/zinc/79/87/71/776798771.db2.gz KSTDNSMYVVAPSZ-UHFFFAOYSA-N 0 3 268.321 -1.469 20 0 CAADHN Cc1ccn(CC(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001133995284 776798800 /nfs/dbraw/zinc/79/88/00/776798800.db2.gz KQLYSFHOATVXOA-UHFFFAOYSA-N 0 3 282.304 -1.908 20 0 CAADHN COc1cc(=O)[nH]cc1C(=O)NCCN[C@H](C)C(N)=O ZINC001134016768 776799150 /nfs/dbraw/zinc/79/91/50/776799150.db2.gz QULSGLZMFOGFRP-SSDOTTSWSA-N 0 3 282.300 -1.011 20 0 CAADHN Cc1nc(C)c(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[nH]1 ZINC001133997929 776799253 /nfs/dbraw/zinc/79/92/53/776799253.db2.gz KLZIKAUOAITGNR-ZETCQYMHSA-N 0 3 296.331 -1.071 20 0 CAADHN Cc1ccn(CC(=O)NCCN[C@H](C)C(=O)NC(N)=O)n1 ZINC001133998253 776799275 /nfs/dbraw/zinc/79/92/75/776799275.db2.gz SWYSJDTZWDFRPY-SECBINFHSA-N 0 3 296.331 -1.519 20 0 CAADHN C[C@@H](NCCNC(=O)c1nccn2ccnc12)C(N)=O ZINC001134002335 776799374 /nfs/dbraw/zinc/79/93/74/776799374.db2.gz UJQXXEJWRJCSHD-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CNC(=O)CNCCNC(=O)c1nccn2ccnc12 ZINC001133997740 776800163 /nfs/dbraw/zinc/80/01/63/776800163.db2.gz BVURVVUIFRGAFR-UHFFFAOYSA-N 0 3 276.300 -1.205 20 0 CAADHN COc1cc(=O)[nH]cc1C(=O)NCCN[C@@H](C)C(N)=O ZINC001134016769 776800231 /nfs/dbraw/zinc/80/02/31/776800231.db2.gz QULSGLZMFOGFRP-ZETCQYMHSA-N 0 3 282.300 -1.011 20 0 CAADHN C[C@H](NCCNC(=O)CCc1cnn[nH]1)c1nnnn1C ZINC001134016918 776800390 /nfs/dbraw/zinc/80/03/90/776800390.db2.gz XQVAIGQXJVFZLA-QMMMGPOBSA-N 0 3 293.335 -1.272 20 0 CAADHN Cc1nc(C)c(C(=O)NCCNCC(=O)NC(N)=O)[nH]1 ZINC001133989896 776800725 /nfs/dbraw/zinc/80/07/25/776800725.db2.gz YHTZIPJJUREAHO-UHFFFAOYSA-N 0 3 282.304 -1.459 20 0 CAADHN Cn1ncc(CNCCNC(=O)CCc2cnn[nH]2)n1 ZINC001134014509 776801540 /nfs/dbraw/zinc/80/15/40/776801540.db2.gz VUSNPPCROFAHRC-UHFFFAOYSA-N 0 3 278.320 -1.228 20 0 CAADHN CCN(C)C(=O)C[NH2+]CCCNC(=O)Cc1nnc[n-]1 ZINC001170717443 776801784 /nfs/dbraw/zinc/80/17/84/776801784.db2.gz PXIXDEJHEBDARO-UHFFFAOYSA-N 0 3 282.348 -1.079 20 0 CAADHN C[C@@H]1CCO[C@@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001134033565 776802009 /nfs/dbraw/zinc/80/20/09/776802009.db2.gz WVBZZABJIRGRNU-YPMHNXCESA-N 0 3 299.371 -1.024 20 0 CAADHN Cn1nnnc1CNCCNC(=O)CCc1cnn[nH]1 ZINC001134014104 776802430 /nfs/dbraw/zinc/80/24/30/776802430.db2.gz MPCJUWMZUNCMKH-UHFFFAOYSA-N 0 3 279.308 -1.833 20 0 CAADHN Cn1ncc(CNCCCNC(=O)Cc2nnc[nH]2)n1 ZINC001170717452 776802691 /nfs/dbraw/zinc/80/26/91/776802691.db2.gz QDGASYSISHSYBL-UHFFFAOYSA-N 0 3 278.320 -1.228 20 0 CAADHN Cn1ncnc1CNCCNC(=O)CCc1cnn[nH]1 ZINC001134014333 776802863 /nfs/dbraw/zinc/80/28/63/776802863.db2.gz RTOVURRNDDNUBH-UHFFFAOYSA-N 0 3 278.320 -1.228 20 0 CAADHN C[C@H]([NH2+]CCCNC(=O)Cc1nnc[n-]1)C(=O)N(C)C ZINC001170727156 776803940 /nfs/dbraw/zinc/80/39/40/776803940.db2.gz XEXDUYXULADLQO-VIFPVBQESA-N 0 3 282.348 -1.080 20 0 CAADHN CC[C@@H]1C[C@H]1C(=O)NCCNCC(=O)NC(N)=O ZINC001134066435 776804174 /nfs/dbraw/zinc/80/41/74/776804174.db2.gz NUQMBGLKAIRPSM-HTQZYQBOSA-N 0 3 256.306 -1.067 20 0 CAADHN CC[C@H]([NH2+]CCCNC(=O)Cc1nnc[n-]1)C(N)=O ZINC001170725447 776804489 /nfs/dbraw/zinc/80/44/89/776804489.db2.gz FONNQXINHRPMDS-QMMMGPOBSA-N 0 3 268.321 -1.293 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001134102694 776804547 /nfs/dbraw/zinc/80/45/47/776804547.db2.gz WZXMHYPNFPSLQR-BBBLOLIVSA-N 0 3 298.343 -1.285 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCc2nnnn2CC1)C(N)=O ZINC001134100118 776804638 /nfs/dbraw/zinc/80/46/38/776804638.db2.gz YQRYNVIQDCLDLV-BDAKNGLRSA-N 0 3 295.347 -1.795 20 0 CAADHN C[C@@H]([NH2+]CCCNC(=O)Cc1nnc[n-]1)C(=O)NC(N)=O ZINC001170726715 776804733 /nfs/dbraw/zinc/80/47/33/776804733.db2.gz PYIWDIQBABKFAD-SSDOTTSWSA-N 0 3 297.319 -1.974 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC1CC1)[C@@H]1CCC(=O)N1 ZINC001134109674 776804848 /nfs/dbraw/zinc/80/48/48/776804848.db2.gz GIAYPAVTNYMCMC-ONGXEEELSA-N 0 3 296.371 -1.115 20 0 CAADHN Cc1cc(C(=O)NCCN[C@@H](C)C(N)=O)ncc1C(N)=O ZINC001134080408 776804946 /nfs/dbraw/zinc/80/49/46/776804946.db2.gz PPMWAVDRCZCTLN-QMMMGPOBSA-N 0 3 293.327 -1.318 20 0 CAADHN C[C@@H]1CCO[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001134028966 776804987 /nfs/dbraw/zinc/80/49/87/776804987.db2.gz PMUPFSBPHJQGBG-KKZNHRDASA-N 0 3 283.328 -1.078 20 0 CAADHN Cc1cc(C(=O)NCCNCC(N)=O)ncc1C(N)=O ZINC001134090934 776805311 /nfs/dbraw/zinc/80/53/11/776805311.db2.gz WEPOCGGHZLSUDM-UHFFFAOYSA-N 0 3 279.300 -1.706 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCc2nnnn2CC1)C(N)=O ZINC001134100127 776805421 /nfs/dbraw/zinc/80/54/21/776805421.db2.gz YQRYNVIQDCLDLV-RKDXNWHRSA-N 0 3 295.347 -1.795 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)NC1CC1)[C@H]1CCC(=O)N1 ZINC001134109673 776805488 /nfs/dbraw/zinc/80/54/88/776805488.db2.gz GIAYPAVTNYMCMC-MWLCHTKSSA-N 0 3 296.371 -1.115 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)N(C)C)[C@H]1CCC(=O)N1 ZINC001134110350 776805737 /nfs/dbraw/zinc/80/57/37/776805737.db2.gz KYFGGUSYSNRBQR-NXEZZACHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001134110087 776805795 /nfs/dbraw/zinc/80/57/95/776805795.db2.gz IXXDINAHHPHTFG-RKDXNWHRSA-N 0 3 270.333 -1.647 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H](C)[C@H]1CCC(=O)N1 ZINC001134111201 776805881 /nfs/dbraw/zinc/80/58/81/776805881.db2.gz RUDFZAQGNWDMBG-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](C(=O)NCCNCC(N)=O)[C@@H]1CCC(=O)N1 ZINC001134111325 776806417 /nfs/dbraw/zinc/80/64/17/776806417.db2.gz UESDXLQZFQGYJX-SFYZADRCSA-N 0 3 256.306 -1.908 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001134098311 776806534 /nfs/dbraw/zinc/80/65/34/776806534.db2.gz BCNYFYVDTTZSOZ-VIFPVBQESA-N 0 3 295.347 -1.923 20 0 CAADHN C[C@@H](C(=O)NCCNCC(=O)N1CCC1)[C@H]1CCC(=O)N1 ZINC001134109995 776806792 /nfs/dbraw/zinc/80/67/92/776806792.db2.gz HZFNPIYBOGYPEJ-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](C(=O)NCCNCC(=O)NC(N)=O)[C@H]1CCC(=O)N1 ZINC001134111802 776806874 /nfs/dbraw/zinc/80/68/74/776806874.db2.gz ZBGVVDAMRHGATH-JGVFFNPUSA-N 0 3 299.331 -2.198 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1 ZINC001134110086 776806982 /nfs/dbraw/zinc/80/69/82/776806982.db2.gz IXXDINAHHPHTFG-IUCAKERBSA-N 0 3 270.333 -1.647 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](C)[C@H]1CCC(=O)N1 ZINC001134111199 776807030 /nfs/dbraw/zinc/80/70/30/776807030.db2.gz RUDFZAQGNWDMBG-NXEZZACHSA-N 0 3 284.360 -1.257 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001134098706 776807369 /nfs/dbraw/zinc/80/73/69/776807369.db2.gz HAPVGPWJNDZKPX-MRVPVSSYSA-N 0 3 281.320 -2.183 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCNCC(=O)NC ZINC001134168195 776807824 /nfs/dbraw/zinc/80/78/24/776807824.db2.gz MFADGPBHRMTJDC-VIFPVBQESA-N 0 3 258.322 -1.647 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)c1cccnc1 ZINC001134150914 776808351 /nfs/dbraw/zinc/80/83/51/776808351.db2.gz QGBSLLRMWQUXQR-UHFFFAOYSA-N 0 3 293.327 -1.737 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCNCC(=O)N1CCC1 ZINC001134167879 776808523 /nfs/dbraw/zinc/80/85/23/776808523.db2.gz HWHZDYZAIOJWTQ-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN C[C@H](O)CN(CCO)CCN1C(=O)N[C@@H](C)C1=O ZINC001170733245 776808589 /nfs/dbraw/zinc/80/85/89/776808589.db2.gz REEOIJDEJQFRRI-IUCAKERBSA-N 0 3 259.306 -1.398 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001134168030 776809195 /nfs/dbraw/zinc/80/91/95/776809195.db2.gz KANKSFNUGRHAOG-NXEZZACHSA-N 0 3 270.333 -1.505 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCNCC(=O)NC1CC1 ZINC001134168449 776809239 /nfs/dbraw/zinc/80/92/39/776809239.db2.gz PVKLYXFCHBOYCM-LLVKDONJSA-N 0 3 284.360 -1.115 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cc(C2CC2)n[nH]1 ZINC001134239876 776809453 /nfs/dbraw/zinc/80/94/53/776809453.db2.gz USABSQMXGXJZTM-UHFFFAOYSA-N 0 3 294.315 -1.199 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@@H](C)C(=O)NC ZINC001134174872 776809573 /nfs/dbraw/zinc/80/95/73/776809573.db2.gz HLPWAADRGYUOMW-WCBMZHEXSA-N 0 3 272.349 -1.259 20 0 CAADHN CCn1nc(C)cc1C(=O)NCCNCC(=O)NC(N)=O ZINC001134258278 776809699 /nfs/dbraw/zinc/80/96/99/776809699.db2.gz GHBBWAGHLAGYLE-UHFFFAOYSA-N 0 3 296.331 -1.274 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@@H](C)C(N)=O ZINC001134174849 776809938 /nfs/dbraw/zinc/80/99/38/776809938.db2.gz HIMQLCOPVHXRIQ-IONNQARKSA-N 0 3 258.322 -1.519 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCN[C@@H](C)C(N)=O ZINC001134174847 776810093 /nfs/dbraw/zinc/81/00/93/776810093.db2.gz HIMQLCOPVHXRIQ-CBAPKCEASA-N 0 3 258.322 -1.519 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001134174782 776810287 /nfs/dbraw/zinc/81/02/87/776810287.db2.gz FVGHPFYIWBNPAP-GHMZBOCLSA-N 0 3 284.360 -1.162 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccnnc1 ZINC001134283622 776810416 /nfs/dbraw/zinc/81/04/16/776810416.db2.gz JQZZAONLZDSQBY-UHFFFAOYSA-N 0 3 266.261 -2.009 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@H](C)C(=O)NC ZINC001134174864 776810637 /nfs/dbraw/zinc/81/06/37/776810637.db2.gz HLPWAADRGYUOMW-PSASIEDQSA-N 0 3 272.349 -1.259 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ccnnc1 ZINC001134283512 776810816 /nfs/dbraw/zinc/81/08/16/776810816.db2.gz HOBHTUWZQHAEBC-UHFFFAOYSA-N 0 3 251.290 -1.116 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)NCCN[C@H](C)C(N)=O ZINC001134174850 776810939 /nfs/dbraw/zinc/81/09/39/776810939.db2.gz HIMQLCOPVHXRIQ-VXNVDRBHSA-N 0 3 258.322 -1.519 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)NCCN[C@H](C)C(N)=O ZINC001134174846 776810988 /nfs/dbraw/zinc/81/09/88/776810988.db2.gz HIMQLCOPVHXRIQ-APPZFPTMSA-N 0 3 258.322 -1.519 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC12CC2 ZINC001134305065 776811248 /nfs/dbraw/zinc/81/12/48/776811248.db2.gz HORNYYCQIZFJFA-ZETCQYMHSA-N 0 3 254.290 -1.313 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](C)NS(C)(=O)=O ZINC001134351730 776811400 /nfs/dbraw/zinc/81/14/00/776811400.db2.gz DIDHJVXVYGNGIO-YUMQZZPRSA-N 0 3 294.377 -2.236 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1ccnnc1 ZINC001134286291 776811923 /nfs/dbraw/zinc/81/19/23/776811923.db2.gz PNIRXIOQZYIUGK-VIFPVBQESA-N 0 3 277.284 -1.399 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001134354060 776812155 /nfs/dbraw/zinc/81/21/55/776812155.db2.gz ZUYSEWZYHGLASW-HTQZYQBOSA-N 0 3 292.361 -2.482 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1ccnnc1 ZINC001134286290 776812294 /nfs/dbraw/zinc/81/22/94/776812294.db2.gz PNIRXIOQZYIUGK-SECBINFHSA-N 0 3 277.284 -1.399 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)NS(C)(=O)=O)C(N)=O ZINC001134352515 776812521 /nfs/dbraw/zinc/81/25/21/776812521.db2.gz LJKHMOKYUKRDEN-RQJHMYQMSA-N 0 3 280.350 -2.496 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)NS(C)(=O)=O ZINC001134351727 776812564 /nfs/dbraw/zinc/81/25/64/776812564.db2.gz DIDHJVXVYGNGIO-HTQZYQBOSA-N 0 3 294.377 -2.236 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccnnc1 ZINC001134292074 776812794 /nfs/dbraw/zinc/81/27/94/776812794.db2.gz SPIPEGPSBWAGOJ-QMMMGPOBSA-N 0 3 294.315 -1.360 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cc1c[nH]cn1 ZINC001134397459 776813328 /nfs/dbraw/zinc/81/33/28/776813328.db2.gz NLGYPOIHABYBLJ-UHFFFAOYSA-N 0 3 253.306 -1.254 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cc1c[nH]cn1 ZINC001134397685 776813651 /nfs/dbraw/zinc/81/36/51/776813651.db2.gz SRPFVUFYHVFLFO-QMMMGPOBSA-N 0 3 296.331 -1.498 20 0 CAADHN Cn1ncc(CNCCNC(=O)Cc2cnc[nH]2)n1 ZINC001134397485 776813751 /nfs/dbraw/zinc/81/37/51/776813751.db2.gz OLPPLVWADRVJFA-UHFFFAOYSA-N 0 3 263.305 -1.013 20 0 CAADHN O=C(CNCCNC(=O)Cc1c[nH]cn1)NC1CC1 ZINC001134406924 776813873 /nfs/dbraw/zinc/81/38/73/776813873.db2.gz IGEGAZLZAMTBIL-UHFFFAOYSA-N 0 3 265.317 -1.063 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H](C)NS(C)(=O)=O)C(N)=O ZINC001134355938 776813951 /nfs/dbraw/zinc/81/39/51/776813951.db2.gz FLEZQXMTYHFOQJ-HTQZYQBOSA-N 0 3 294.377 -2.106 20 0 CAADHN CN1CC[C@H](NCCNC(=O)Cc2c[nH]cn2)C1=O ZINC001134397660 776814001 /nfs/dbraw/zinc/81/40/01/776814001.db2.gz RGRFPBWVPLAQOV-JTQLQIEISA-N 0 3 265.317 -1.111 20 0 CAADHN NC(=O)CNCCNC(=O)CN1c2ccccc2CC1=O ZINC001134370374 776814096 /nfs/dbraw/zinc/81/40/96/776814096.db2.gz FASUHBDLCSIRLK-UHFFFAOYSA-N 0 3 290.323 -1.233 20 0 CAADHN Cn1cnnc1CNCCNC(=O)Cc1cnc[nH]1 ZINC001134407030 776814402 /nfs/dbraw/zinc/81/44/02/776814402.db2.gz NGZYKDGYYXLPGE-UHFFFAOYSA-N 0 3 263.305 -1.013 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001134354063 776814645 /nfs/dbraw/zinc/81/46/45/776814645.db2.gz ZUYSEWZYHGLASW-YUMQZZPRSA-N 0 3 292.361 -2.482 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134455273 776815644 /nfs/dbraw/zinc/81/56/44/776815644.db2.gz CKLSZHRMNVBNEH-YUMQZZPRSA-N 0 3 297.315 -2.431 20 0 CAADHN CC[C@@H](NCCNC(=O)Cc1c[nH]cn1)C(N)=O ZINC001134396860 776815749 /nfs/dbraw/zinc/81/57/49/776815749.db2.gz GNGPHZIHDQDLFN-SECBINFHSA-N 0 3 253.306 -1.078 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@@H]2CC(=O)NC(=O)N2)C1=O ZINC001134455826 776815816 /nfs/dbraw/zinc/81/58/16/776815816.db2.gz KNKKPZXMELBSJV-YUMQZZPRSA-N 0 3 297.315 -2.479 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)Cc1c[nH]cn1 ZINC001134407122 776816310 /nfs/dbraw/zinc/81/63/10/776816310.db2.gz RXFFNDIEGURMNS-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN O=C(Cc1c[nH]cn1)NCCN[C@@H]1CCNC1=O ZINC001134407088 776816362 /nfs/dbraw/zinc/81/63/62/776816362.db2.gz QFCUWICLGWFVAO-SECBINFHSA-N 0 3 251.290 -1.454 20 0 CAADHN CC[C@@H](F)CNCCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487710 776818044 /nfs/dbraw/zinc/81/80/44/776818044.db2.gz ZLTHJXDCEIUNLO-SECBINFHSA-N 0 3 298.384 -1.164 20 0 CAADHN CC[C@H](F)CNCCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487711 776817205 /nfs/dbraw/zinc/81/72/05/776817205.db2.gz ZLTHJXDCEIUNLO-VIFPVBQESA-N 0 3 298.384 -1.164 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134456503 776817391 /nfs/dbraw/zinc/81/73/91/776817391.db2.gz XIVXIHUDSZKZKW-LURJTMIESA-N 0 3 271.277 -2.964 20 0 CAADHN CNC(=O)CNCCNC(=O)CNS(=O)(=O)N(C)C ZINC001134487631 776817440 /nfs/dbraw/zinc/81/74/40/776817440.db2.gz VSBVANQURKIUNK-UHFFFAOYSA-N 0 3 295.365 -3.166 20 0 CAADHN C[C@H](NCCNC(=O)CNS(=O)(=O)N(C)C)C(N)=O ZINC001134487440 776817778 /nfs/dbraw/zinc/81/77/78/776817778.db2.gz NAVJRZSMQDVMIQ-ZETCQYMHSA-N 0 3 295.365 -3.038 20 0 CAADHN CCCN1C[C@H](C(=O)NCCNCC(N)=O)CC1=O ZINC001134502305 776817880 /nfs/dbraw/zinc/81/78/80/776817880.db2.gz ADGNYQVXDBTVQB-SECBINFHSA-N 0 3 270.333 -1.564 20 0 CAADHN O=C(NCCNCc1cccnc1)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461084 776818124 /nfs/dbraw/zinc/81/81/24/776818124.db2.gz NUKJQUAADYDRLU-JTQLQIEISA-N 0 3 291.311 -1.115 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(=O)N(C)C ZINC001134455978 776818204 /nfs/dbraw/zinc/81/82/04/776818204.db2.gz MWODVHHVCHUAIZ-SFYZADRCSA-N 0 3 299.331 -2.233 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460570 776818250 /nfs/dbraw/zinc/81/82/50/776818250.db2.gz DKBGBKJEOPFOHX-BQBZGAKWSA-N 0 3 283.288 -2.821 20 0 CAADHN Cn1nccc1CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134461098 776818390 /nfs/dbraw/zinc/81/83/90/776818390.db2.gz OQLYEBJXJQSXMO-VIFPVBQESA-N 0 3 294.315 -1.776 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001134460499 776818678 /nfs/dbraw/zinc/81/86/78/776818678.db2.gz BTGNQUPVBDHBKF-VIFPVBQESA-N 0 3 294.315 -1.776 20 0 CAADHN CCCN1C[C@@H](C(=O)NCCNCC(=O)NC)CC1=O ZINC001134502986 776819590 /nfs/dbraw/zinc/81/95/90/776819590.db2.gz IZSJUUGHHATJEO-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN Cc1ccnn1CC(=O)NCCNCC(=O)NC(N)=O ZINC001134513202 776819676 /nfs/dbraw/zinc/81/96/76/776819676.db2.gz GJSPWOIILIIWTP-UHFFFAOYSA-N 0 3 282.304 -1.908 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cn1nccc1C ZINC001134513555 776819718 /nfs/dbraw/zinc/81/97/18/776819718.db2.gz XANIZAOMQOVAIK-UHFFFAOYSA-N 0 3 296.331 -1.647 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)NCCNC/C=C\Cl ZINC001134491577 776819748 /nfs/dbraw/zinc/81/97/48/776819748.db2.gz WYEQGXRPKKBBPF-ARJAWSKDSA-N 0 3 298.796 -1.159 20 0 CAADHN Cc1cnc2c(C(=O)NCCNCC(N)=O)cnn2c1 ZINC001134546591 776820072 /nfs/dbraw/zinc/82/00/72/776820072.db2.gz NCFJLEBNUAWJQD-UHFFFAOYSA-N 0 3 276.300 -1.158 20 0 CAADHN Cc1ccnn1CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001134513216 776820265 /nfs/dbraw/zinc/82/02/65/776820265.db2.gz GXCISCZCUYKLGQ-SNVBAGLBSA-N 0 3 293.327 -1.297 20 0 CAADHN CCCN1C[C@@H](C(=O)NCCN[C@@H](C)C(N)=O)CC1=O ZINC001134502655 776820338 /nfs/dbraw/zinc/82/03/38/776820338.db2.gz DSEWEYLSJSRMAC-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNCCNC(=O)COC1CCOCC1 ZINC001134633072 776820894 /nfs/dbraw/zinc/82/08/94/776820894.db2.gz LRUSIVYXBUNRTN-UHFFFAOYSA-N 0 3 273.333 -1.366 20 0 CAADHN Cc1ccn(CC(=O)NCCN[C@H]2CCNC2=O)c(=O)c1 ZINC001134539708 776820958 /nfs/dbraw/zinc/82/09/58/776820958.db2.gz DMKFMPOTHHGUFC-NSHDSACASA-N 0 3 292.339 -1.249 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)COC[C@H]1CCOC1 ZINC001134640525 776821092 /nfs/dbraw/zinc/82/10/92/776821092.db2.gz IMBJHEAAKIRQHJ-NSHDSACASA-N 0 3 287.360 -1.167 20 0 CAADHN O=C(COC1CCOCC1)NCCN[C@@H]1CCNC1=O ZINC001134633482 776821135 /nfs/dbraw/zinc/82/11/35/776821135.db2.gz SPQQDVUYGGJZGC-LLVKDONJSA-N 0 3 285.344 -1.224 20 0 CAADHN CCNC(=O)CNCCNC(=O)COC[C@H]1CCOC1 ZINC001134640125 776821189 /nfs/dbraw/zinc/82/11/89/776821189.db2.gz ABFISEPFKIFPNX-NSHDSACASA-N 0 3 287.360 -1.119 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c(C)nn(C)c1OC ZINC001134594152 776821434 /nfs/dbraw/zinc/82/14/34/776821434.db2.gz CVYCHJCCURDNRQ-UHFFFAOYSA-N 0 3 283.332 -1.197 20 0 CAADHN COc1c(C(=O)NCCN[C@@H](C)C(N)=O)c(C)nn1C ZINC001134600293 776821613 /nfs/dbraw/zinc/82/16/13/776821613.db2.gz JBHDUKKTSYOPDY-QMMMGPOBSA-N 0 3 283.332 -1.070 20 0 CAADHN O=C(COC[C@@H]1CCOC1)NCCN[C@H]1CCNC1=O ZINC001134640222 776821716 /nfs/dbraw/zinc/82/17/16/776821716.db2.gz CRUOMFBQDDYSSW-MNOVXSKESA-N 0 3 285.344 -1.366 20 0 CAADHN CN1CC[C@H](NCCNC(=O)COC[C@@H]2CCOC2)C1=O ZINC001134656284 776823172 /nfs/dbraw/zinc/82/31/72/776823172.db2.gz ZPYIBDFCWCROTK-NEPJUHHUSA-N 0 3 299.371 -1.024 20 0 CAADHN C[C@H](NCCNC(=O)COC[C@H]1CCOC1)C(N)=O ZINC001134640953 776823300 /nfs/dbraw/zinc/82/33/00/776823300.db2.gz PBAKLNNPFPQETP-UWVGGRQHSA-N 0 3 273.333 -1.381 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)COC[C@@H]2CCOC2)C1=O ZINC001134656287 776823858 /nfs/dbraw/zinc/82/38/58/776823858.db2.gz ZPYIBDFCWCROTK-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)COC[C@H]1CCOC1 ZINC001134655260 776823970 /nfs/dbraw/zinc/82/39/70/776823970.db2.gz AHXNJIQPZIYENP-QWRGUYRKSA-N 0 3 287.360 -1.120 20 0 CAADHN O=C(COC[C@@H]1CCOC1)NCCNCC(=O)N1CCC1 ZINC001134641456 776824073 /nfs/dbraw/zinc/82/40/73/776824073.db2.gz VSJVFSZZWVTHTM-GFCCVEGCSA-N 0 3 299.371 -1.022 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001134714524 776824783 /nfs/dbraw/zinc/82/47/83/776824783.db2.gz VACHREQUTBLFTA-UHFFFAOYSA-N 0 3 299.287 -3.141 20 0 CAADHN Cc1nn(C)cc1CCC(=O)NCCNCC(N)=O ZINC001134717517 776825039 /nfs/dbraw/zinc/82/50/39/776825039.db2.gz GPVSDEKNQJMHFG-UHFFFAOYSA-N 0 3 267.333 -1.148 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H](C)OCCOC ZINC001134660142 776825179 /nfs/dbraw/zinc/82/51/79/776825179.db2.gz STRWZVCFTYNCOL-JTQLQIEISA-N 0 3 275.349 -1.120 20 0 CAADHN COCCO[C@@H](C)C(=O)NCCNCC(=O)N(C)C ZINC001134659630 776825435 /nfs/dbraw/zinc/82/54/35/776825435.db2.gz GOBDCDFGMNYXNL-JTQLQIEISA-N 0 3 275.349 -1.168 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H](C)OCCOC ZINC001134663468 776825501 /nfs/dbraw/zinc/82/55/01/776825501.db2.gz LBLAPPBKKPEYSA-UWVGGRQHSA-N 0 3 275.349 -1.122 20 0 CAADHN CN1C(=O)C(=O)N(CC(=O)NCCNCC(N)=O)C1=O ZINC001134714508 776825687 /nfs/dbraw/zinc/82/56/87/776825687.db2.gz UNBVPWYSZWQFCG-UHFFFAOYSA-N 0 3 285.260 -3.402 20 0 CAADHN C[C@H](NCCNC(=O)CN1C(=O)C(=O)N(C)C1=O)C(N)=O ZINC001134696618 776825755 /nfs/dbraw/zinc/82/57/55/776825755.db2.gz FONSCXHUOOCVFU-LURJTMIESA-N 0 3 299.287 -3.013 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)OCCOC ZINC001134663467 776825943 /nfs/dbraw/zinc/82/59/43/776825943.db2.gz LBLAPPBKKPEYSA-NXEZZACHSA-N 0 3 275.349 -1.122 20 0 CAADHN COCCO[C@H](C)C(=O)NCCNCC(=O)N1CCC1 ZINC001134660290 776825979 /nfs/dbraw/zinc/82/59/79/776825979.db2.gz XBLSWJZNYWWFKQ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN COCCO[C@H](C)C(=O)NCCN[C@H]1CCNC1=O ZINC001134660335 776826004 /nfs/dbraw/zinc/82/60/04/776826004.db2.gz XWBAXNYRKQOUTD-ZJUUUORDSA-N 0 3 273.333 -1.368 20 0 CAADHN CCNC(=O)NC(C)(C)C(=O)NCCNCC(=O)NC ZINC001134696872 776826027 /nfs/dbraw/zinc/82/60/27/776826027.db2.gz PDYILEYDTVLVME-UHFFFAOYSA-N 0 3 287.364 -1.464 20 0 CAADHN CCNC(=O)NC(C)(C)C(=O)NCCN[C@H]1CCNC1=O ZINC001134700530 776826166 /nfs/dbraw/zinc/82/61/66/776826166.db2.gz CIRYALCQKSXEMV-VIFPVBQESA-N 0 3 299.375 -1.322 20 0 CAADHN CCn1ccc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)n1 ZINC001134770062 776826687 /nfs/dbraw/zinc/82/66/87/776826687.db2.gz QIDHFJUFPQDDCL-QMMMGPOBSA-N 0 3 296.331 -1.194 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCN[C@H]1CCNC1=O)C(N)=O ZINC001134829078 776828258 /nfs/dbraw/zinc/82/82/58/776828258.db2.gz BCJXHPFLEYSUNO-IUCAKERBSA-N 0 3 299.331 -3.039 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCN[C@H](C)C(N)=O)C(N)=O ZINC001134829425 776828448 /nfs/dbraw/zinc/82/84/48/776828448.db2.gz JPAHLEUTIRKSRD-SVRRBLITSA-N 0 3 287.320 -3.054 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCNCCF)C(N)=O ZINC001134829489 776828920 /nfs/dbraw/zinc/82/89/20/776828920.db2.gz KPFUIGCCIXBEHZ-QMMMGPOBSA-N 0 3 262.285 -1.958 20 0 CAADHN COc1cncc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001134833107 776829137 /nfs/dbraw/zinc/82/91/37/776829137.db2.gz QRIWDBQRMBTNHS-UHFFFAOYSA-N 0 3 296.287 -2.001 20 0 CAADHN COc1cncc(C(=O)NCCNCC(=O)N(C)C)n1 ZINC001134832559 776829534 /nfs/dbraw/zinc/82/95/34/776829534.db2.gz GIAHJYQLISUDOH-UHFFFAOYSA-N 0 3 281.316 -1.107 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CC(=O)N(C)C)C1=O ZINC001134932765 776829993 /nfs/dbraw/zinc/82/99/93/776829993.db2.gz HYVFVQDHJUVHCG-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCN1C(=O)C1CC1)C(N)=O ZINC001134890560 776830498 /nfs/dbraw/zinc/83/04/98/776830498.db2.gz RWLLSMUQNOWSFJ-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1cscn1)C(=O)NC(N)=O ZINC001134869803 776830868 /nfs/dbraw/zinc/83/08/68/776830868.db2.gz XYRYWJMDYWTBHW-SSDOTTSWSA-N 0 3 299.356 -1.025 20 0 CAADHN CC(=O)N[C@@H](CC(=O)NCCNC/C=C\Cl)C(N)=O ZINC001134837323 776831002 /nfs/dbraw/zinc/83/10/02/776831002.db2.gz VTXFPBZGYLHPMW-XADBCAIWSA-N 0 3 290.751 -1.175 20 0 CAADHN COCC(=O)N[C@H](C(=O)NCCNCC(N)=O)C(C)C ZINC001134911430 776831352 /nfs/dbraw/zinc/83/13/52/776831352.db2.gz XNPDMMMOALAYFX-NSHDSACASA-N 0 3 288.348 -2.035 20 0 CAADHN CN(C)C(=O)CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001134932918 776831485 /nfs/dbraw/zinc/83/14/85/776831485.db2.gz KHMYJZQKRPCUBM-QMMMGPOBSA-N 0 3 284.316 -2.024 20 0 CAADHN CN(C)C(=O)CC(=O)NCCNCC(=O)NC1CC1 ZINC001134942048 776831760 /nfs/dbraw/zinc/83/17/60/776831760.db2.gz WSYZMPLSOMSJCH-UHFFFAOYSA-N 0 3 270.333 -1.551 20 0 CAADHN CN(C)C(=O)CC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001134942091 776831893 /nfs/dbraw/zinc/83/18/93/776831893.db2.gz YUPHADMREYBKPM-JTQLQIEISA-N 0 3 284.360 -1.209 20 0 CAADHN Cn1nnc(C(=O)NCCNCC(N)=O)c1C(F)(F)F ZINC001134973235 776831933 /nfs/dbraw/zinc/83/19/33/776831933.db2.gz JJIJMMPNNSEDGC-UHFFFAOYSA-N 0 3 294.237 -1.361 20 0 CAADHN C[C@H](NCCNC(=O)CC(=O)N(C)C)C(=O)NC(N)=O ZINC001134936521 776832103 /nfs/dbraw/zinc/83/21/03/776832103.db2.gz VWNCXZSQOONAFE-ZETCQYMHSA-N 0 3 287.320 -2.246 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CC(=O)N(C)C ZINC001134939028 776832118 /nfs/dbraw/zinc/83/21/18/776832118.db2.gz NIMNJYYJEFSZAU-UHFFFAOYSA-N 0 3 272.349 -1.351 20 0 CAADHN C[C@@H](NCCNC(=O)CC(=O)N(C)C)C(=O)N(C)C ZINC001134936213 776832313 /nfs/dbraw/zinc/83/23/13/776832313.db2.gz JDSYJBQBWFNIGM-SECBINFHSA-N 0 3 272.349 -1.353 20 0 CAADHN CNC(=O)CNCCNC(=O)C(C)(C)NS(C)(=O)=O ZINC001134961278 776832380 /nfs/dbraw/zinc/83/23/80/776832380.db2.gz OQIFSKMWBYEWMR-UHFFFAOYSA-N 0 3 294.377 -2.234 20 0 CAADHN CN(C)C(=O)CC(=O)NCCNCC(=O)NC(N)=O ZINC001134936557 776832513 /nfs/dbraw/zinc/83/25/13/776832513.db2.gz XBOJCGGQSCMSKX-UHFFFAOYSA-N 0 3 273.293 -2.635 20 0 CAADHN C[C@H](NCCNC(=O)CC(=O)N(C)C)C(=O)NC1CC1 ZINC001134936509 776832557 /nfs/dbraw/zinc/83/25/57/776832557.db2.gz VIRAJUQJGNHDQF-VIFPVBQESA-N 0 3 284.360 -1.162 20 0 CAADHN CN(C)C(=O)CC(=O)NCCN[C@@H]1CCNC1=O ZINC001134941898 776832592 /nfs/dbraw/zinc/83/25/92/776832592.db2.gz UJAMTYDTWOGAAW-MRVPVSSYSA-N 0 3 256.306 -1.941 20 0 CAADHN C[C@H](NCCNC(=O)CC(=O)N(C)C)C(=O)N(C)C ZINC001134936214 776833136 /nfs/dbraw/zinc/83/31/36/776833136.db2.gz JDSYJBQBWFNIGM-VIFPVBQESA-N 0 3 272.349 -1.353 20 0 CAADHN CN(C)C(=O)CC(=O)NCCN[C@H]1CCCNC1=O ZINC001134941830 776833219 /nfs/dbraw/zinc/83/32/19/776833219.db2.gz PMYAJSZVOZHGJR-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN CN(C)C(=O)CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001134941829 776833254 /nfs/dbraw/zinc/83/32/54/776833254.db2.gz PMYAJSZVOZHGJR-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CC[C@H](NCCNC(=O)CC(=O)N(C)C)C(N)=O ZINC001134936030 776833388 /nfs/dbraw/zinc/83/33/88/776833388.db2.gz BCUDGAGYYOFTHT-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN CN(C)C(=O)CC(=O)NCCNCC(=O)N(C)C1CC1 ZINC001134938863 776833480 /nfs/dbraw/zinc/83/34/80/776833480.db2.gz JVYIDFMKXYDWKB-UHFFFAOYSA-N 0 3 284.360 -1.209 20 0 CAADHN CC(C)[C@H](NS(C)(=O)=O)C(=O)NCCNCC(N)=O ZINC001134977162 776833892 /nfs/dbraw/zinc/83/38/92/776833892.db2.gz GSTPIERIDRSUKQ-VIFPVBQESA-N 0 3 294.377 -2.249 20 0 CAADHN CC(C)c1nnnn1CC(=O)NCCNCC(=O)N(C)C ZINC001134999056 776834476 /nfs/dbraw/zinc/83/44/76/776834476.db2.gz ISXNAEGGIWFHBR-UHFFFAOYSA-N 0 3 297.363 -1.410 20 0 CAADHN CNC(=O)CNCCNC(=O)CCc1cn[nH]c1 ZINC001135046001 776834566 /nfs/dbraw/zinc/83/45/66/776834566.db2.gz UEQFNZAIMRHWMH-UHFFFAOYSA-N 0 3 253.306 -1.206 20 0 CAADHN C[C@H](NCCNC(=O)CCc1cn[nH]c1)C(=O)NC(N)=O ZINC001135058584 776834679 /nfs/dbraw/zinc/83/46/79/776834679.db2.gz XCNNFOOYUOIXAX-QMMMGPOBSA-N 0 3 296.331 -1.369 20 0 CAADHN CC(C)c1nnnn1CC(=O)NCCN[C@H](C)C(N)=O ZINC001135001998 776834927 /nfs/dbraw/zinc/83/49/27/776834927.db2.gz UEPPJWRAEUEWEO-MRVPVSSYSA-N 0 3 283.336 -1.624 20 0 CAADHN C[C@@H](Cc1c[nH]cn1)C(=O)NCCNCC(=O)NC(N)=O ZINC001135080641 776835773 /nfs/dbraw/zinc/83/57/73/776835773.db2.gz YUULWCDYZOLCAV-QMMMGPOBSA-N 0 3 296.331 -1.511 20 0 CAADHN Cc1c[nH]c(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)n1 ZINC001135064756 776836044 /nfs/dbraw/zinc/83/60/44/776836044.db2.gz LGIHVPRYHFWHTR-ZETCQYMHSA-N 0 3 282.304 -1.379 20 0 CAADHN C[C@@H](Cc1c[nH]cn1)C(=O)NCCNCC(N)=O ZINC001135080363 776836444 /nfs/dbraw/zinc/83/64/44/776836444.db2.gz RMUZQNLFOJVAQD-QMMMGPOBSA-N 0 3 253.306 -1.221 20 0 CAADHN Cc1c[nH]c(C(=O)NCCN[C@H]2CCC(=O)NC2=O)n1 ZINC001135054653 776836463 /nfs/dbraw/zinc/83/64/63/776836463.db2.gz IVQCMAZSFCONPU-QMMMGPOBSA-N 0 3 279.300 -1.157 20 0 CAADHN C[C@H](NCCNC(=O)CCc1cn[nH]c1)C(N)=O ZINC001135050138 776836775 /nfs/dbraw/zinc/83/67/75/776836775.db2.gz UALUKSOMLXDAAW-QMMMGPOBSA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCN(C)S1(=O)=O)C(N)=O ZINC001135130096 776836905 /nfs/dbraw/zinc/83/69/05/776836905.db2.gz WKCHKIBPRQEEPG-YUMQZZPRSA-N 0 3 292.361 -2.400 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1nc(C)c[nH]1 ZINC001135060960 776837134 /nfs/dbraw/zinc/83/71/34/776837134.db2.gz MXSDMJDOSYPBQD-QMMMGPOBSA-N 0 3 296.331 -1.118 20 0 CAADHN C[C@H](NCCNC(=O)C1CC2(C1)NC(=O)NC2=O)C(N)=O ZINC001135158358 776837698 /nfs/dbraw/zinc/83/76/98/776837698.db2.gz FNGZUSBFQCCARS-IUWAKFPWSA-N 0 3 297.315 -2.446 20 0 CAADHN NC(=O)CNCCNC(=O)C1CC2(C1)NC(=O)NC2=O ZINC001135159495 776837931 /nfs/dbraw/zinc/83/79/31/776837931.db2.gz VYKJDVQLCLJKSA-UHFFFAOYSA-N 0 3 283.288 -2.834 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)NCCN[C@H]1CCNC1=O ZINC001135173033 776838124 /nfs/dbraw/zinc/83/81/24/776838124.db2.gz TYELCAUNZHMEFS-JTQLQIEISA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](NCCNC(=O)C1CC2(C1)NC(=O)NC2=O)C(N)=O ZINC001135158359 776838704 /nfs/dbraw/zinc/83/87/04/776838704.db2.gz FNGZUSBFQCCARS-VZZNTGOHSA-N 0 3 297.315 -2.446 20 0 CAADHN CC(=O)NCC(C)(C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001135173034 776838795 /nfs/dbraw/zinc/83/87/95/776838795.db2.gz TYELCAUNZHMEFS-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)[C@H]1CCC(=O)N1 ZINC001284405929 777939956 /nfs/dbraw/zinc/93/99/56/777939956.db2.gz ZYXIUDZANMDMFK-DTWKUNHWSA-N 0 3 261.297 -1.357 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001283785208 777916397 /nfs/dbraw/zinc/91/63/97/777916397.db2.gz RPEKRKKZLXQPCE-WDEREUQCSA-N 0 3 287.360 -1.384 20 0 CAADHN COCCN[C@H](CO)CNC(=O)C(C)(C)C(N)=O ZINC001283772004 777917154 /nfs/dbraw/zinc/91/71/54/777917154.db2.gz MONVLAFNYQYLTF-QMMMGPOBSA-N 0 3 261.322 -1.789 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001283782679 777917195 /nfs/dbraw/zinc/91/71/95/777917195.db2.gz RZUNPLACZAMKEV-VHSXEESVSA-N 0 3 294.373 -1.866 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001283785205 777917714 /nfs/dbraw/zinc/91/77/14/777917714.db2.gz RPEKRKKZLXQPCE-GHMZBOCLSA-N 0 3 287.360 -1.384 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1nnn(C)n1 ZINC001283791670 777917878 /nfs/dbraw/zinc/91/78/78/777917878.db2.gz HBHANABKYITAKK-ZETCQYMHSA-N 0 3 258.282 -2.463 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)c1[nH]nnc1C ZINC001283791718 777918203 /nfs/dbraw/zinc/91/82/03/777918203.db2.gz HQMYQTRVVYTRKJ-SECBINFHSA-N 0 3 271.321 -1.170 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)c1[nH]nnc1C ZINC001283791721 777918520 /nfs/dbraw/zinc/91/85/20/777918520.db2.gz HQMYQTRVVYTRKJ-VIFPVBQESA-N 0 3 271.321 -1.170 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)C1CC(=O)NC(=O)C1 ZINC001283815190 777921284 /nfs/dbraw/zinc/92/12/84/777921284.db2.gz LCBCMIYBGHKDIL-SECBINFHSA-N 0 3 287.316 -2.248 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cccnc1C(N)=O ZINC001283832833 777922231 /nfs/dbraw/zinc/92/22/31/777922231.db2.gz XTXUSANCEAQWQF-SECBINFHSA-N 0 3 296.327 -1.493 20 0 CAADHN CNS(=O)(=O)CC(=O)NC[C@@H](CO)NCC=C(C)C ZINC001283828064 777922679 /nfs/dbraw/zinc/92/26/79/777922679.db2.gz YIPCESCVXOSANP-JTQLQIEISA-N 0 3 293.389 -1.432 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001284005864 777926700 /nfs/dbraw/zinc/92/67/00/777926700.db2.gz PIYOKQXYTUOYGA-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)CC(N)=O ZINC001284296009 777934326 /nfs/dbraw/zinc/93/43/26/777934326.db2.gz WQSUEFDJBNQGQM-SSDOTTSWSA-N 0 3 281.316 -1.243 20 0 CAADHN CC(C)[C@@H](C(=O)N[C@@H](C)CNC(=O)C(N)=O)N(C)C ZINC001284318230 777935668 /nfs/dbraw/zinc/93/56/68/777935668.db2.gz LPFINFRPNGZWBD-IUCAKERBSA-N 0 3 272.349 -1.321 20 0 CAADHN NC(=O)C(=O)NC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001284360766 777936857 /nfs/dbraw/zinc/93/68/57/777936857.db2.gz FNUVRPSGABWBFU-SNVBAGLBSA-N 0 3 282.344 -1.468 20 0 CAADHN CN(C[C@@H](O)CNCC(N)=O)C(=O)[C@H]1CCOC1 ZINC001284387626 777938067 /nfs/dbraw/zinc/93/80/67/777938067.db2.gz MZAXGJAOPQYIFO-IUCAKERBSA-N 0 3 259.306 -2.083 20 0 CAADHN CC(=O)N(C)C[C@@H](O)CN[C@H](C)C(=O)NC(N)=O ZINC001284376469 777938335 /nfs/dbraw/zinc/93/83/35/777938335.db2.gz VYOVKIUXJKKBOC-SVRRBLITSA-N 0 3 260.294 -2.001 20 0 CAADHN CC[C@@H](C(=O)N1CC[C@H](CNC(=O)C(N)=O)C1)N(C)C ZINC001284379654 777938455 /nfs/dbraw/zinc/93/84/55/777938455.db2.gz LIUQASGJOVUWDF-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccccn1 ZINC001284374714 777938661 /nfs/dbraw/zinc/93/86/61/777938661.db2.gz RNPPAZUMKZIEHB-SECBINFHSA-N 0 3 266.301 -1.411 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H](O)CN(C)C(=O)CC(N)=O ZINC001284397920 777939234 /nfs/dbraw/zinc/93/92/34/777939234.db2.gz CMQSQJOTBVFARL-SFYZADRCSA-N 0 3 274.321 -2.595 20 0 CAADHN CNC(=O)[C@H](C)NC[C@@H](O)CN(C)C(=O)CC(N)=O ZINC001284397919 777939594 /nfs/dbraw/zinc/93/95/94/777939594.db2.gz CMQSQJOTBVFARL-JGVFFNPUSA-N 0 3 274.321 -2.595 20 0 CAADHN C[C@H](CC(=O)N(C)C[C@H](O)CNCCF)NC(N)=O ZINC001284418945 777939645 /nfs/dbraw/zinc/93/96/45/777939645.db2.gz WNTDJMMSALXPGN-RKDXNWHRSA-N 0 3 278.328 -1.188 20 0 CAADHN CCNC(=O)CC(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001284404105 777940238 /nfs/dbraw/zinc/94/02/38/777940238.db2.gz VZGILIJWNCAUHR-MRVPVSSYSA-N 0 3 274.321 -2.593 20 0 CAADHN CN(C[C@H](O)CNCC(N)=O)C(=O)[C@@H]1CC1(F)F ZINC001284404522 777940275 /nfs/dbraw/zinc/94/02/75/777940275.db2.gz XEFLVXWYSGCDBY-RQJHMYQMSA-N 0 3 265.260 -1.464 20 0 CAADHN Cc1ncccc1CNC[C@@H](O)CN(C)C(=O)C(N)=O ZINC001284444728 777942829 /nfs/dbraw/zinc/94/28/29/777942829.db2.gz NBRFJMUZOWKVEQ-LLVKDONJSA-N 0 3 280.328 -1.216 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)[C@@H]1CCOC1 ZINC001284481347 777945410 /nfs/dbraw/zinc/94/54/10/777945410.db2.gz GIYBCJMATDYZPZ-GHMZBOCLSA-N 0 3 260.334 -1.234 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)CN1C(=O)CCC1=O ZINC001284467828 777945962 /nfs/dbraw/zinc/94/59/62/777945962.db2.gz LDXAQFLTDNVWRP-SECBINFHSA-N 0 3 289.307 -1.486 20 0 CAADHN CC[C@H](C(=O)N(C)CCNC(=O)CC(N)=O)N(C)C ZINC001284505832 777946055 /nfs/dbraw/zinc/94/60/55/777946055.db2.gz OGNCNDLFIUBJRH-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)[C@H]1CCCO1 ZINC001284481951 777946143 /nfs/dbraw/zinc/94/61/43/777946143.db2.gz JWFLOCQDUYRQLF-WDEREUQCSA-N 0 3 260.334 -1.091 20 0 CAADHN CN(CCO)C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001284502534 777946840 /nfs/dbraw/zinc/94/68/40/777946840.db2.gz QEQIPQWHLPXWNM-SECBINFHSA-N 0 3 275.349 -1.759 20 0 CAADHN COCCN(C)C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001284502819 777947317 /nfs/dbraw/zinc/94/73/17/777947317.db2.gz UQRVCPFMVNJTRC-JTQLQIEISA-N 0 3 289.376 -1.105 20 0 CAADHN COCCN(C)C[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001284502820 777947600 /nfs/dbraw/zinc/94/76/00/777947600.db2.gz UQRVCPFMVNJTRC-SNVBAGLBSA-N 0 3 289.376 -1.105 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O ZINC001284502535 777947648 /nfs/dbraw/zinc/94/76/48/777947648.db2.gz QEQIPQWHLPXWNM-VIFPVBQESA-N 0 3 275.349 -1.759 20 0 CAADHN CN(CCO)C[C@H](O)CN(C)C(=O)c1cnon1 ZINC001284517413 777947918 /nfs/dbraw/zinc/94/79/18/777947918.db2.gz VBLMXHUKKLNSRE-QMMMGPOBSA-N 0 3 258.278 -1.573 20 0 CAADHN CN(C)C1(C(=O)N(C)CCNC(=O)C(N)=O)CCC1 ZINC001284581356 777951724 /nfs/dbraw/zinc/95/17/24/777951724.db2.gz WNWLWPFEJZYTEJ-UHFFFAOYSA-N 0 3 270.333 -1.469 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCC[C@H]1CNC(=O)C(N)=O ZINC001284688721 777953532 /nfs/dbraw/zinc/95/35/32/777953532.db2.gz AMIMCZUQMCGAGM-VHSXEESVSA-N 0 3 282.344 -1.327 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNC(=O)C(N)=O ZINC001284688715 777954164 /nfs/dbraw/zinc/95/41/64/777954164.db2.gz AMIMCZUQMCGAGM-NXEZZACHSA-N 0 3 282.344 -1.327 20 0 CAADHN CC[C@H](C(=O)NC[C@@H]1CCCN1C(=O)C(N)=O)N(C)C ZINC001284680296 777954627 /nfs/dbraw/zinc/95/46/27/777954627.db2.gz HDFNDAITJYJOBS-VHSXEESVSA-N 0 3 284.360 -1.081 20 0 CAADHN CN1CCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)C(N)=O ZINC001284688718 777954742 /nfs/dbraw/zinc/95/47/42/777954742.db2.gz AMIMCZUQMCGAGM-UWVGGRQHSA-N 0 3 282.344 -1.327 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1ccon1 ZINC001284854989 777956589 /nfs/dbraw/zinc/95/65/89/777956589.db2.gz UJSRAUWZDLYECB-UHFFFAOYSA-N 0 3 270.289 -1.162 20 0 CAADHN C[C@@H](NCCOCCN(C)C(=O)c1cc[nH]n1)C(N)=O ZINC001284854990 777956726 /nfs/dbraw/zinc/95/67/26/777956726.db2.gz UKJTZJVVKAKRAV-SECBINFHSA-N 0 3 283.332 -1.038 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)[C@H]1CCCO1 ZINC001284855954 777956846 /nfs/dbraw/zinc/95/68/46/777956846.db2.gz WIBFCZCRYBYHFJ-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN COCC(=O)N(C)CCOCCN[C@H]1CCN(C)C1=O ZINC001284852664 777956959 /nfs/dbraw/zinc/95/69/59/777956959.db2.gz BLSZTGGGOXVCOS-NSHDSACASA-N 0 3 287.360 -1.072 20 0 CAADHN CC(=O)N1CCCC[C@H]1CNC(=O)CCNCC(N)=O ZINC001284828592 777956972 /nfs/dbraw/zinc/95/69/72/777956972.db2.gz NCLBEQAESZFQTR-NSHDSACASA-N 0 3 284.360 -1.031 20 0 CAADHN CN(C)C(=O)CNCCOCCN(C)C(=O)C(N)=O ZINC001284874293 777956985 /nfs/dbraw/zinc/95/69/85/777956985.db2.gz AKCRWMSFLJVVIY-UHFFFAOYSA-N 0 3 274.321 -2.376 20 0 CAADHN CC(=O)N1CCCC[C@@H]1CNC(=O)CCNCC(N)=O ZINC001284828591 777957312 /nfs/dbraw/zinc/95/73/12/777957312.db2.gz NCLBEQAESZFQTR-LLVKDONJSA-N 0 3 284.360 -1.031 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1cn[nH]n1 ZINC001284869819 777957529 /nfs/dbraw/zinc/95/75/29/777957529.db2.gz FUNJTAIJHSXTQP-UHFFFAOYSA-N 0 3 270.293 -2.032 20 0 CAADHN CNC(=O)CNCCOCCN(C)C(=O)c1nc[nH]n1 ZINC001284877193 777958926 /nfs/dbraw/zinc/95/89/26/777958926.db2.gz YFRXTNDLQKQUBE-UHFFFAOYSA-N 0 3 284.320 -1.771 20 0 CAADHN CNC(=O)C[NH2+]CCOCCN(C)C(=O)c1nc[n-]n1 ZINC001284877193 777958930 /nfs/dbraw/zinc/95/89/30/777958930.db2.gz YFRXTNDLQKQUBE-UHFFFAOYSA-N 0 3 284.320 -1.771 20 0 CAADHN CCNC(=O)CC(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001284897511 777959590 /nfs/dbraw/zinc/95/95/90/777959590.db2.gz QLEWYWMHLALQRO-NSHDSACASA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)CC(N)=O)C1 ZINC001284894168 777960460 /nfs/dbraw/zinc/96/04/60/777960460.db2.gz GQLYNTCNZYHVRY-SECBINFHSA-N 0 3 282.344 -1.327 20 0 CAADHN CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H]2CCNC2=O)C1 ZINC001284929225 777961684 /nfs/dbraw/zinc/96/16/84/777961684.db2.gz SGWWOMLWBANIML-NSHDSACASA-N 0 3 296.371 -1.210 20 0 CAADHN CC[C@@H](C(=O)NC1CN(C(=O)CC(=O)NC)C1)N(C)C ZINC001284925190 777961766 /nfs/dbraw/zinc/96/17/66/777961766.db2.gz LMWIKMAXTRYFFM-JTQLQIEISA-N 0 3 284.360 -1.210 20 0 CAADHN CC(C)[C@@H](C(=O)N1CC(CNC(=O)C(N)=O)C1)N(C)C ZINC001284990457 777964058 /nfs/dbraw/zinc/96/40/58/777964058.db2.gz XWBRFVIMIPIOMV-JTQLQIEISA-N 0 3 284.360 -1.368 20 0 CAADHN CC(C)[C@@H](C(=O)NCC1CN(C(=O)C(N)=O)C1)N(C)C ZINC001284982427 777964167 /nfs/dbraw/zinc/96/41/67/777964167.db2.gz DWWXKIAUWQZAJF-JTQLQIEISA-N 0 3 284.360 -1.368 20 0 CAADHN CCN(CC)CC(=O)N1CC(CNC(=O)C(N)=O)C1 ZINC001284988995 777964240 /nfs/dbraw/zinc/96/42/40/777964240.db2.gz CSXZDUHWOYYZPP-UHFFFAOYSA-N 0 3 270.333 -1.612 20 0 CAADHN CC(C)[C@H](C(=O)NCC1CN(C(=O)C(N)=O)C1)N(C)C ZINC001284982429 777964573 /nfs/dbraw/zinc/96/45/73/777964573.db2.gz DWWXKIAUWQZAJF-SNVBAGLBSA-N 0 3 284.360 -1.368 20 0 CAADHN CC[C@@H](CNC(=O)C1(N(C)C)CCC1)NC(=O)C(N)=O ZINC001285064853 777966246 /nfs/dbraw/zinc/96/62/46/777966246.db2.gz QAJZIRPGIMMRIA-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@@H](CNC(=O)C(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001285094496 777966692 /nfs/dbraw/zinc/96/66/92/777966692.db2.gz UMRWYTQXDIHUMD-VIFPVBQESA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](C(=O)NC[C@H](C)CNC(=O)C(N)=O)N(C)C ZINC001285237377 777969908 /nfs/dbraw/zinc/96/99/08/777969908.db2.gz TVGZBDVEDZJJQP-DTWKUNHWSA-N 0 3 272.349 -1.320 20 0 CAADHN CN(CCN(C)C(=O)[C@H]1CCCN1C)C(=O)C(N)=O ZINC001285356047 777971465 /nfs/dbraw/zinc/97/14/65/777971465.db2.gz AGDWNZNYTCYCRY-SECBINFHSA-N 0 3 270.333 -1.517 20 0 CAADHN C[C@@H]1CCN(CC(=O)N(C)CCN(C)C(=O)C(N)=O)C1 ZINC001285384311 777972434 /nfs/dbraw/zinc/97/24/34/777972434.db2.gz LZDUHXYLDJJKOE-SNVBAGLBSA-N 0 3 284.360 -1.270 20 0 CAADHN C[C@H]1CCN(CC(=O)N(C)CCN(C)C(=O)C(N)=O)C1 ZINC001285384310 777972652 /nfs/dbraw/zinc/97/26/52/777972652.db2.gz LZDUHXYLDJJKOE-JTQLQIEISA-N 0 3 284.360 -1.270 20 0 CAADHN CC[C@H](C(=O)NC[C@H](O)CNC(=O)CC(N)=O)N(C)C ZINC001285427817 777976509 /nfs/dbraw/zinc/97/65/09/777976509.db2.gz VRHXGPVVSBKEHC-RKDXNWHRSA-N 0 3 288.348 -2.205 20 0 CAADHN CC[C@H](C(=O)NC/C=C/CNC(=O)CC(N)=O)N(C)C ZINC001285512463 777979052 /nfs/dbraw/zinc/97/90/52/777979052.db2.gz KUCXAOUHGVAMEJ-BRAIEQGRSA-N 0 3 284.360 -1.009 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H](C)CNC(=O)C(N)=O ZINC001285657036 777981656 /nfs/dbraw/zinc/98/16/56/777981656.db2.gz NJUKLWODJQOSJN-MRVPVSSYSA-N 0 3 258.322 -1.567 20 0 CAADHN C[C@H](CNC(=O)CC(N)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001285637632 777982117 /nfs/dbraw/zinc/98/21/17/777982117.db2.gz RTSKGZPGENVGTH-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](CNC(=O)C(N)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001285831602 777989063 /nfs/dbraw/zinc/98/90/63/777989063.db2.gz YUKHCPWAQHMYEC-DTWKUNHWSA-N 0 3 270.333 -1.471 20 0 CAADHN C[C@H](CNC(=O)C(N)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001285831608 777989381 /nfs/dbraw/zinc/98/93/81/777989381.db2.gz YUKHCPWAQHMYEC-RKDXNWHRSA-N 0 3 270.333 -1.471 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)CC(N)=O ZINC001285844401 777990368 /nfs/dbraw/zinc/99/03/68/777990368.db2.gz ODIDKMFQDUOFIF-JTQLQIEISA-N 0 3 284.360 -1.081 20 0 CAADHN CC[C@H](C(=O)N1CC[C@@H]1CNC(=O)CC(N)=O)N(C)C ZINC001285845125 777990744 /nfs/dbraw/zinc/99/07/44/777990744.db2.gz BJXUHLJVDHFJAX-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN CN(C(=O)CC(N)=O)C1CN(C(=O)CN2CCCC2)C1 ZINC001286005702 777995452 /nfs/dbraw/zinc/99/54/52/777995452.db2.gz MAUSQJDVIDTZRR-UHFFFAOYSA-N 0 3 282.344 -1.373 20 0 CAADHN CC[C@H](C(=O)N(C)C[C@H](C)NC(=O)C(N)=O)N(C)C ZINC001287649737 778003803 /nfs/dbraw/zinc/00/38/03/778003803.db2.gz XBDDLTHHVRHQTL-DTWKUNHWSA-N 0 3 272.349 -1.225 20 0 CAADHN C[C@@H](CN(C)C(=O)C(N)=O)NC(=O)CN1CCC[C@@H]1C ZINC001287708122 778004796 /nfs/dbraw/zinc/00/47/96/778004796.db2.gz ZTCIJVPNQAZUQG-UWVGGRQHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@H](CN(C)C(=O)C(N)=O)NC(=O)CN1CCC[C@@H]1C ZINC001287708124 778005166 /nfs/dbraw/zinc/00/51/66/778005166.db2.gz ZTCIJVPNQAZUQG-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)C(N)=O ZINC001287832826 778011899 /nfs/dbraw/zinc/01/18/99/778011899.db2.gz IXNIQHKWYQNJQX-QMMMGPOBSA-N 0 3 274.321 -2.595 20 0 CAADHN CCCN(C)CC(=O)N[C@@H](CO)CNC(=O)C(N)=O ZINC001287832771 778012181 /nfs/dbraw/zinc/01/21/81/778012181.db2.gz HZFYDEBAWRYIBI-MRVPVSSYSA-N 0 3 274.321 -2.593 20 0 CAADHN CC(=O)N[C@@H](CO)CNC(=O)CN1CC[C@@H](C)C1 ZINC001287845628 778014100 /nfs/dbraw/zinc/01/41/00/778014100.db2.gz OLJQBKBGLCLVFQ-MWLCHTKSSA-N 0 3 257.334 -1.059 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC001287882603 778014362 /nfs/dbraw/zinc/01/43/62/778014362.db2.gz SKVSYZQCCLAFFH-ZJUUUORDSA-N 0 3 284.360 -1.083 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@H]1C ZINC001287882600 778014700 /nfs/dbraw/zinc/01/47/00/778014700.db2.gz SKVSYZQCCLAFFH-NXEZZACHSA-N 0 3 284.360 -1.083 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)C(N)=O)[C@@H]1C ZINC001287882602 778014842 /nfs/dbraw/zinc/01/48/42/778014842.db2.gz SKVSYZQCCLAFFH-VHSXEESVSA-N 0 3 284.360 -1.083 20 0 CAADHN CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)C(N)=O)[C@@H]1C ZINC001287882601 778014885 /nfs/dbraw/zinc/01/48/85/778014885.db2.gz SKVSYZQCCLAFFH-UWVGGRQHSA-N 0 3 284.360 -1.083 20 0 CAADHN CC(C)N(C)CC(=O)N[C@H]1C[C@H](C)N(C(=O)C(N)=O)C1 ZINC001287951420 778015211 /nfs/dbraw/zinc/01/52/11/778015211.db2.gz RVMZJOWICHEWMS-UWVGGRQHSA-N 0 3 284.360 -1.083 20 0 CAADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C1(O)COC1 ZINC001292419476 778033207 /nfs/dbraw/zinc/03/32/07/778033207.db2.gz JUBJYBQFZPRRCJ-NXEZZACHSA-N 0 3 256.302 -1.273 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001292577787 778039892 /nfs/dbraw/zinc/03/98/92/778039892.db2.gz OBDJOMDMOFYARJ-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H]1CCCN1CC(=O)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001292579543 778039986 /nfs/dbraw/zinc/03/99/86/778039986.db2.gz NQUUVUCPMVPCPN-WDEREUQCSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001292577796 778040136 /nfs/dbraw/zinc/04/01/36/778040136.db2.gz OBDJOMDMOFYARJ-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)[C@@H]1CCNC1=O ZINC001292779164 778046252 /nfs/dbraw/zinc/04/62/52/778046252.db2.gz PXNRZOAMCJSSAO-SNVBAGLBSA-N 0 3 284.360 -1.303 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)[C@H]1CCNC1=O ZINC001292779163 778046960 /nfs/dbraw/zinc/04/69/60/778046960.db2.gz PXNRZOAMCJSSAO-JTQLQIEISA-N 0 3 284.360 -1.303 20 0 CAADHN CC(C)N(C)CC(=O)NCCNC(=O)CCNC(N)=O ZINC001292724709 778047104 /nfs/dbraw/zinc/04/71/04/778047104.db2.gz WRGSTPUMUDIRCZ-UHFFFAOYSA-N 0 3 287.364 -1.383 20 0 CAADHN CCN(CC)CC(=O)NCCNC(=O)Cn1ncnn1 ZINC001292778650 778047383 /nfs/dbraw/zinc/04/73/83/778047383.db2.gz JQSZIRXMFKXMHJ-UHFFFAOYSA-N 0 3 283.336 -1.753 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)C ZINC001293088259 778053180 /nfs/dbraw/zinc/05/31/80/778053180.db2.gz PXUHNVTVESRBKD-UTLUCORTSA-N 0 3 284.360 -1.320 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNC(=O)c2nnn(C)n2)C1 ZINC001293048443 778053849 /nfs/dbraw/zinc/05/38/49/778053849.db2.gz BZLBLCDOAHZNTP-VIFPVBQESA-N 0 3 295.347 -1.602 20 0 CAADHN CCN(CC)CC(=O)NCCCNC(=O)C(N)=O ZINC001293342587 778058328 /nfs/dbraw/zinc/05/83/28/778058328.db2.gz UBFIHOCZYXYSGO-UHFFFAOYSA-N 0 3 258.322 -1.564 20 0 CAADHN CC(C)[C@H](C(=O)NCCCNC(=O)C(N)=O)N(C)C ZINC001293469582 778059282 /nfs/dbraw/zinc/05/92/82/778059282.db2.gz RDKQPLNMSODJGF-SECBINFHSA-N 0 3 272.349 -1.320 20 0 CAADHN CC[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)C(N)=O)C1)N(C)C ZINC001293697558 778060504 /nfs/dbraw/zinc/06/05/04/778060504.db2.gz IJIYNRMDAOSGOW-NXEZZACHSA-N 0 3 284.360 -1.129 20 0 CAADHN CCCN(CCN(C)C)C(=O)[C@@H](CO)NC(N)=O ZINC001293932968 778062773 /nfs/dbraw/zinc/06/27/73/778062773.db2.gz MWAWKKBMOOMLRY-SECBINFHSA-N 0 3 260.338 -1.184 20 0 CAADHN CC[C@H](C(=O)NCCCN(C)C(=O)C(N)=O)N(C)C ZINC001294164268 778063474 /nfs/dbraw/zinc/06/34/74/778063474.db2.gz ZQENCUTVHUSBFA-SECBINFHSA-N 0 3 272.349 -1.223 20 0 CAADHN CN(CCCNC(=O)C(N)=O)C(=O)[C@@H]1CCCN1C ZINC001294282250 778064979 /nfs/dbraw/zinc/06/49/79/778064979.db2.gz QYUXZFTYOVBXHM-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CN(CCCNC(=O)C(N)=O)C(=O)[C@H]1CCCN1C ZINC001294282235 778065137 /nfs/dbraw/zinc/06/51/37/778065137.db2.gz QYUXZFTYOVBXHM-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN O=C(CNC(=O)C12CCCN1CCC2)NCCO ZINC001294690937 778067566 /nfs/dbraw/zinc/06/75/66/778067566.db2.gz NYORCMCGYBMQOY-UHFFFAOYSA-N 0 3 255.318 -1.161 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](CNC(=O)C(N)=O)C1CC1 ZINC001294929073 778070457 /nfs/dbraw/zinc/07/04/57/778070457.db2.gz GZMZBVAINMDTPN-JTQLQIEISA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@H](NC(=O)CC(N)=O)C2)C1 ZINC001295075872 778071372 /nfs/dbraw/zinc/07/13/72/778071372.db2.gz FOVMCERXPZUVIW-QWRGUYRKSA-N 0 3 296.371 -1.079 20 0 CAADHN Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)CC(N)=O ZINC001295442872 778077691 /nfs/dbraw/zinc/07/76/91/778077691.db2.gz NAZIXRPXFMBPCW-SSDOTTSWSA-N 0 3 281.316 -1.243 20 0 CAADHN CC(C)N1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C(N)=O ZINC001295488888 778079997 /nfs/dbraw/zinc/07/99/97/778079997.db2.gz MBFCGPOUQMLIEA-UWVGGRQHSA-N 0 3 284.360 -1.035 20 0 CAADHN CCN(CC)CC(=O)N[C@@H](C)CNC(=O)C(N)=O ZINC001295634016 778083856 /nfs/dbraw/zinc/08/38/56/778083856.db2.gz PDTNAWMFDGPFEU-QMMMGPOBSA-N 0 3 258.322 -1.566 20 0 CAADHN CN1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)CC(N)=O)C1 ZINC001295743772 778085076 /nfs/dbraw/zinc/08/50/76/778085076.db2.gz MTZQZFBCHMJGOH-GHMZBOCLSA-N 0 3 296.371 -1.079 20 0 CAADHN CN(CC(=O)N1CC[C@@H](CNC(=O)C(N)=O)C1)C1CCC1 ZINC001295729658 778085527 /nfs/dbraw/zinc/08/55/27/778085527.db2.gz UZRPOZYFULAZKY-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN C[C@H]1CCN(CC(=O)N2CC[C@H](CNC(=O)C(N)=O)C2)C1 ZINC001295759108 778086804 /nfs/dbraw/zinc/08/68/04/778086804.db2.gz OHPPBGPMVUYPNJ-WDEREUQCSA-N 0 3 296.371 -1.222 20 0 CAADHN CCN(CC)CC(=O)N[C@H](C)CCNC(=O)C(N)=O ZINC001295909872 778089110 /nfs/dbraw/zinc/08/91/10/778089110.db2.gz QFTJKNRZCQVOKW-SECBINFHSA-N 0 3 272.349 -1.176 20 0 CAADHN CC[C@@H](C(=O)NCCN(C)C(=O)C(N)=O)N(C)C ZINC001296161528 778090641 /nfs/dbraw/zinc/09/06/41/778090641.db2.gz QIDLOGUKFVXDNT-QMMMGPOBSA-N 0 3 258.322 -1.614 20 0 CAADHN CCN(CCO)CCNC(=O)Cn1nccc1N ZINC001296822608 778101022 /nfs/dbraw/zinc/10/10/22/778101022.db2.gz IBQPWMYTYHHECB-UHFFFAOYSA-N 0 3 255.322 -1.104 20 0 CAADHN CCN(CCO)CCNC(=O)CCNC(=O)CO ZINC001296823271 778101037 /nfs/dbraw/zinc/10/10/37/778101037.db2.gz YKCRFLANGXMQTE-UHFFFAOYSA-N 0 3 261.322 -2.085 20 0 CAADHN CCCN(C)CC(=O)N[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001296942699 778101255 /nfs/dbraw/zinc/10/12/55/778101255.db2.gz ZVPHQYPRDXXUCT-JTQLQIEISA-N 0 3 284.360 -1.079 20 0 CAADHN CCN(CC)CC(=O)N1CC(CNC(=O)CC(N)=O)C1 ZINC001297179781 778105502 /nfs/dbraw/zinc/10/55/02/778105502.db2.gz ATYIABZSTUPOSJ-UHFFFAOYSA-N 0 3 284.360 -1.222 20 0 CAADHN CN(CC(=O)NC1CN(C(=O)C(N)=O)C1)CC(C)(C)C ZINC001297148325 778105933 /nfs/dbraw/zinc/10/59/33/778105933.db2.gz YOBQCJXLQDWFKX-UHFFFAOYSA-N 0 3 284.360 -1.223 20 0 CAADHN CC(C)N(C)CC(=O)NCC1CN(C(=O)CC(N)=O)C1 ZINC001297216621 778106332 /nfs/dbraw/zinc/10/63/32/778106332.db2.gz DYQLEWGQFQODSA-UHFFFAOYSA-N 0 3 284.360 -1.223 20 0 CAADHN CN(C)C1(C(=O)NCC2CN(C(=O)CC(N)=O)C2)CCC1 ZINC001297217387 778106486 /nfs/dbraw/zinc/10/64/86/778106486.db2.gz NDBVSZGJJBVWDM-UHFFFAOYSA-N 0 3 296.371 -1.079 20 0 CAADHN Cc1[nH]cnc1CC(=O)NCCOCCS(N)(=O)=O ZINC001297587067 778112004 /nfs/dbraw/zinc/11/20/04/778112004.db2.gz QJMPWJMUOJNEEF-UHFFFAOYSA-N 0 3 290.345 -1.318 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](O)CNC(=O)C(N)=O)N(C)C ZINC001298194573 778118354 /nfs/dbraw/zinc/11/83/54/778118354.db2.gz CUIZXAGOXAZOOC-YUMQZZPRSA-N 0 3 274.321 -2.595 20 0 CAADHN CN1CCC[C@H]1C(=O)NC/C=C/CNC(=O)C(N)=O ZINC001298310755 778120142 /nfs/dbraw/zinc/12/01/42/778120142.db2.gz IIMMBVWUFSPIBJ-HPOULIHZSA-N 0 3 268.317 -1.646 20 0 CAADHN CN1CCC[C@H]1C(=O)NC/C=C\CNC(=O)C(N)=O ZINC001298310759 778120253 /nfs/dbraw/zinc/12/02/53/778120253.db2.gz IIMMBVWUFSPIBJ-XADBCAIWSA-N 0 3 268.317 -1.646 20 0 CAADHN CC(C)N(C)CC(=O)NC/C=C\CNC(=O)CC(N)=O ZINC001298319804 778120436 /nfs/dbraw/zinc/12/04/36/778120436.db2.gz GITSOYIDVBVVQD-PLNGDYQASA-N 0 3 284.360 -1.009 20 0 CAADHN CC[C@@H](C(=O)NC[C@H](C)NC(=O)CC(N)=O)N(C)C ZINC001298752817 778124913 /nfs/dbraw/zinc/12/49/13/778124913.db2.gz OQLDMNITKBNQOY-IUCAKERBSA-N 0 3 272.349 -1.177 20 0 CAADHN CC[C@H](C(=O)NC[C@H](C)NC(=O)CC(N)=O)N(C)C ZINC001298756458 778124976 /nfs/dbraw/zinc/12/49/76/778124976.db2.gz OQLDMNITKBNQOY-DTWKUNHWSA-N 0 3 272.349 -1.177 20 0 CAADHN Cc1[nH]cnc1CC(=O)NC[C@H]1CCN1C(=O)CC(N)=O ZINC001299071003 778129515 /nfs/dbraw/zinc/12/95/15/778129515.db2.gz KOVCKXMVTDICFP-SECBINFHSA-N 0 3 293.327 -1.147 20 0 CAADHN CN(C)C(=O)/C=C/C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001300147852 778131214 /nfs/dbraw/zinc/13/12/14/778131214.db2.gz QQCIQFVPBPUZRY-MJKAUQOVSA-N 0 3 267.329 -1.092 20 0 CAADHN CN(C)C(=O)/C=C\C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001300147851 778131346 /nfs/dbraw/zinc/13/13/46/778131346.db2.gz QQCIQFVPBPUZRY-CBZSPVTBSA-N 0 3 267.329 -1.092 20 0 CAADHN CN(CCNC(=O)Cn1cnnn1)CCOCCO ZINC001303016537 778138524 /nfs/dbraw/zinc/13/85/24/778138524.db2.gz RMOBJHDCZRBFPF-UHFFFAOYSA-N 0 3 272.309 -2.270 20 0 CAADHN CN(CCNC(=O)C(C)(C)C(N)=O)CCOCCO ZINC001303017438 778138759 /nfs/dbraw/zinc/13/87/59/778138759.db2.gz YGNNSBFDVCKJAH-UHFFFAOYSA-N 0 3 275.349 -1.445 20 0 CAADHN O=C([C@H]1CCC(=O)N1)N1CC(N[C@H]2CCOC2)C1 ZINC001304080188 778143409 /nfs/dbraw/zinc/14/34/09/778143409.db2.gz UCCUJIQHFLVZJR-WCBMZHEXSA-N 0 3 253.302 -1.146 20 0 CAADHN Cn1nnnc1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC001116741062 779510953 /nfs/dbraw/zinc/51/09/53/779510953.db2.gz MXHNSMIEGRHHPP-SECBINFHSA-N 0 3 265.321 -1.784 20 0 CAADHN COC[C@H](O)CN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001116858107 779515302 /nfs/dbraw/zinc/51/53/02/779515302.db2.gz JYZNOQFOAOUKRE-LDYMZIIASA-N 0 3 257.290 -1.332 20 0 CAADHN CNC(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC001117046700 779522393 /nfs/dbraw/zinc/52/23/93/779522393.db2.gz BWQPDJOMFVGVJX-SNVBAGLBSA-N 0 3 256.350 -1.125 20 0 CAADHN CNC(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC001117046699 779522547 /nfs/dbraw/zinc/52/25/47/779522547.db2.gz BWQPDJOMFVGVJX-JTQLQIEISA-N 0 3 256.350 -1.125 20 0 CAADHN CN(CCNC(=O)C(=O)N(C)[C@H]1CCNC1=O)C1CC1 ZINC001117126459 779524667 /nfs/dbraw/zinc/52/46/67/779524667.db2.gz QLBXTSIDMQMAFC-JTQLQIEISA-N 0 3 282.344 -1.456 20 0 CAADHN CN(CCNC(=O)C(=O)NCc1nnn(C)n1)C1CC1 ZINC001117127306 779525137 /nfs/dbraw/zinc/52/51/37/779525137.db2.gz YICMAJDHGUKBJN-UHFFFAOYSA-N 0 3 281.320 -1.963 20 0 CAADHN CON(C)C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC001117151722 779525889 /nfs/dbraw/zinc/52/58/89/779525889.db2.gz VSMCAFXBSLVZOS-UWVGGRQHSA-N 0 3 271.317 -1.014 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)NCc1nnn(C)n1 ZINC001117431631 779534054 /nfs/dbraw/zinc/53/40/54/779534054.db2.gz VXRGAJXSHTZIBE-UHFFFAOYSA-N 0 3 269.309 -2.154 20 0 CAADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cnnn2C)C1 ZINC001117712539 779542071 /nfs/dbraw/zinc/54/20/71/779542071.db2.gz ISOSOQMJJFJGQL-IUCAKERBSA-N 0 3 278.316 -1.084 20 0 CAADHN CO[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C)C[C@@H]1OC ZINC001117886683 779545451 /nfs/dbraw/zinc/54/54/51/779545451.db2.gz VHIIOHHDXBQJHC-PHIMTYICSA-N 0 3 287.360 -1.121 20 0 CAADHN C[C@@H](N)C(=O)NCCCn1c(=O)ccn(C)c1=O ZINC001118139789 779549109 /nfs/dbraw/zinc/54/91/09/779549109.db2.gz WPTQLPLDMJBCJP-MRVPVSSYSA-N 0 3 254.290 -1.600 20 0 CAADHN CS(=O)(=O)CCCC(=O)NC[C@@H]1CNCCO1 ZINC001118148383 779549593 /nfs/dbraw/zinc/54/95/93/779549593.db2.gz NCNUFDCRLRSEPI-VIFPVBQESA-N 0 3 264.347 -1.084 20 0 CAADHN C[C@H](N)C(=O)NCCCn1c(=O)ccn(C)c1=O ZINC001118139790 779549668 /nfs/dbraw/zinc/54/96/68/779549668.db2.gz WPTQLPLDMJBCJP-QMMMGPOBSA-N 0 3 254.290 -1.600 20 0 CAADHN CC(C)(CNCCC(=O)NC(N)=O)S(C)(=O)=O ZINC001118149363 779549737 /nfs/dbraw/zinc/54/97/37/779549737.db2.gz DKLITVAQJWAMQB-UHFFFAOYSA-N 0 3 265.335 -1.016 20 0 CAADHN COCC(=O)NCCC(=O)NC[C@@H]1CNCCO1 ZINC001118165828 779550505 /nfs/dbraw/zinc/55/05/05/779550505.db2.gz ZGLVIEQHNKBUJG-VIFPVBQESA-N 0 3 259.306 -1.756 20 0 CAADHN COCC(=O)NCCC(=O)NC[C@H]1CNCCO1 ZINC001118165827 779550741 /nfs/dbraw/zinc/55/07/41/779550741.db2.gz ZGLVIEQHNKBUJG-SECBINFHSA-N 0 3 259.306 -1.756 20 0 CAADHN CSCC[C@H](N)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001118195599 779551245 /nfs/dbraw/zinc/55/12/45/779551245.db2.gz OPKKFRUNQINLRE-JGVFFNPUSA-N 0 3 261.347 -1.221 20 0 CAADHN CSCC[C@H](N)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001118195601 779551846 /nfs/dbraw/zinc/55/18/46/779551846.db2.gz OPKKFRUNQINLRE-YUMQZZPRSA-N 0 3 261.347 -1.221 20 0 CAADHN CSCC[C@@H](N)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001118195598 779552013 /nfs/dbraw/zinc/55/20/13/779552013.db2.gz OPKKFRUNQINLRE-HTQZYQBOSA-N 0 3 261.347 -1.221 20 0 CAADHN Cn1cc(CN[C@@H](CO)CCF)c(=O)n(C)c1=O ZINC001118245463 779557179 /nfs/dbraw/zinc/55/71/79/779557179.db2.gz BRJOFBGTAKXRFG-SECBINFHSA-N 0 3 259.281 -1.106 20 0 CAADHN CN[C@@H](C(=O)NC[C@@H]1CNCCO1)c1cnn(C)c1 ZINC001118264375 779558104 /nfs/dbraw/zinc/55/81/04/779558104.db2.gz FEJKIOCIZWLXMI-WDEREUQCSA-N 0 3 267.333 -1.215 20 0 CAADHN CN[C@H](C(=O)NC[C@@H]1CNCCO1)c1cnn(C)c1 ZINC001118264374 779558159 /nfs/dbraw/zinc/55/81/59/779558159.db2.gz FEJKIOCIZWLXMI-QWRGUYRKSA-N 0 3 267.333 -1.215 20 0 CAADHN CN[C@@H](C(=O)NC[C@H]1CNCCO1)c1cnn(C)c1 ZINC001118264372 779558392 /nfs/dbraw/zinc/55/83/92/779558392.db2.gz FEJKIOCIZWLXMI-GHMZBOCLSA-N 0 3 267.333 -1.215 20 0 CAADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cn(CC(N)=O)nn1 ZINC001118269645 779559453 /nfs/dbraw/zinc/55/94/53/779559453.db2.gz LGMSGJIXEDDNJA-JGVFFNPUSA-N 0 3 266.305 -1.414 20 0 CAADHN NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001118318376 779563507 /nfs/dbraw/zinc/56/35/07/779563507.db2.gz JDWCZJGOWOIEHI-ZDCRXTMVSA-N 0 3 267.329 -1.225 20 0 CAADHN NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001118318375 779563793 /nfs/dbraw/zinc/56/37/93/779563793.db2.gz JDWCZJGOWOIEHI-VLEAKVRGSA-N 0 3 267.329 -1.225 20 0 CAADHN NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001118318374 779564109 /nfs/dbraw/zinc/56/41/09/779564109.db2.gz JDWCZJGOWOIEHI-LNFKQOIKSA-N 0 3 267.329 -1.225 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N[C@@H]1CC[C@H](C)S(=O)(=O)C1 ZINC001118488532 779570582 /nfs/dbraw/zinc/57/05/82/779570582.db2.gz QEBNVTIAMCZEGO-HRDYMLBCSA-N 0 3 291.373 -1.468 20 0 CAADHN C[C@H](CN)NC(=O)C(=O)N[C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC001118488531 779571132 /nfs/dbraw/zinc/57/11/32/779571132.db2.gz QEBNVTIAMCZEGO-HLTSFMKQSA-N 0 3 291.373 -1.468 20 0 CAADHN C[C@@H](CS(C)(=O)=O)NC(=O)C1=NO[C@H](CN)C1 ZINC001118506527 779571579 /nfs/dbraw/zinc/57/15/79/779571579.db2.gz PMJUKXAKANZSEI-BQBZGAKWSA-N 0 3 263.319 -1.361 20 0 CAADHN [NH3+]Cc1cc(=O)[n-]c(CNC(=O)C(=O)N2CCCCO2)n1 ZINC001118491028 779571727 /nfs/dbraw/zinc/57/17/27/779571727.db2.gz QIAPLNQXIWDSRX-UHFFFAOYSA-N 0 3 295.299 -1.189 20 0 CAADHN CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N[C@@H](C)CN ZINC001118489013 779571832 /nfs/dbraw/zinc/57/18/32/779571832.db2.gz ZOBUOAFDMWAJLR-XLPZGREQSA-N 0 3 293.345 -2.622 20 0 CAADHN CCS(=O)(=O)C1(CNC(=O)C(=O)N[C@@H](C)CN)CC1 ZINC001118488981 779571896 /nfs/dbraw/zinc/57/18/96/779571896.db2.gz YWTPLEFESZTCJI-QMMMGPOBSA-N 0 3 291.373 -1.467 20 0 CAADHN CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N[C@@H](C)CN ZINC001118489011 779572315 /nfs/dbraw/zinc/57/23/15/779572315.db2.gz ZOBUOAFDMWAJLR-FXQIFTODSA-N 0 3 293.345 -2.622 20 0 CAADHN C[C@@H]1CN(CCO)[C@@H](C)CN1CCN1C(=O)CNC1=O ZINC001118499949 779572361 /nfs/dbraw/zinc/57/23/61/779572361.db2.gz AGJKELQYCBIFEH-MNOVXSKESA-N 0 3 284.360 -1.075 20 0 CAADHN C[C@H](CS(C)(=O)=O)NC(=O)C1=NO[C@H](CN)C1 ZINC001118506531 779572380 /nfs/dbraw/zinc/57/23/80/779572380.db2.gz PMJUKXAKANZSEI-RQJHMYQMSA-N 0 3 263.319 -1.361 20 0 CAADHN C[C@H]1CC[C@H](NC(=O)C(=O)NCCN)CS1(=O)=O ZINC001118545910 779574192 /nfs/dbraw/zinc/57/41/92/779574192.db2.gz JMIOVMZQZKWFNB-YUMQZZPRSA-N 0 3 277.346 -1.857 20 0 CAADHN CS(=O)(=O)CCC(=O)N1CCOC2(CNC2)C1 ZINC001118539884 779574817 /nfs/dbraw/zinc/57/48/17/779574817.db2.gz CFVJSIDPURBXOG-UHFFFAOYSA-N 0 3 262.331 -1.378 20 0 CAADHN O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1C=CCC1 ZINC001118551302 779575954 /nfs/dbraw/zinc/57/59/54/779575954.db2.gz NHTZMPFJYQXARE-ZJUUUORDSA-N 0 3 253.302 -1.074 20 0 CAADHN CC(=O)NC[C@H]1CN(C[C@@H]2CNCCO2)CCO1 ZINC001118569278 779576957 /nfs/dbraw/zinc/57/69/57/779576957.db2.gz UTDKBSZKCCFPDK-RYUDHWBXSA-N 0 3 257.334 -1.188 20 0 CAADHN CCCN1CC[C@H](NC(=O)C(=O)NCc2nnn(C)n2)C1 ZINC001118622616 779580059 /nfs/dbraw/zinc/58/00/59/779580059.db2.gz ZWIGXHDKQMEZNW-VIFPVBQESA-N 0 3 295.347 -1.573 20 0 CAADHN COCC(=O)NCCC(=O)N[C@@H](CO)CN(C)C ZINC001118705968 779583355 /nfs/dbraw/zinc/58/33/55/779583355.db2.gz AGORUYBPUOZCEX-SECBINFHSA-N 0 3 261.322 -1.822 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)CN ZINC001118755073 779585064 /nfs/dbraw/zinc/58/50/64/779585064.db2.gz TWVGJMNSLBNAKF-BQBZGAKWSA-N 0 3 284.272 -2.361 20 0 CAADHN CC(C)[C@@H]1CN(C(=O)CN2C(=O)CNC2=O)CCN1 ZINC001118832708 779589821 /nfs/dbraw/zinc/58/98/21/779589821.db2.gz IAWQCVUGESDRRU-VIFPVBQESA-N 0 3 268.317 -1.005 20 0 CAADHN O=C(NCCCn1cncn1)NC[C@@H]1CNCCO1 ZINC001118861428 779590916 /nfs/dbraw/zinc/59/09/16/779590916.db2.gz HRPGPSHZJWJXJT-JTQLQIEISA-N 0 3 268.321 -1.044 20 0 CAADHN C[C@@H](CC(=O)NCCN1CC[C@@H](O)C1)NC(N)=O ZINC001118892439 779594330 /nfs/dbraw/zinc/59/43/30/779594330.db2.gz KKGBODXIYVFPQP-DTWKUNHWSA-N 0 3 258.322 -1.384 20 0 CAADHN CN1CCC[C@H]1CNCc1cn(CC(N)=O)nn1 ZINC001118883881 779594942 /nfs/dbraw/zinc/59/49/42/779594942.db2.gz MMPSHIBPRDBVKF-JTQLQIEISA-N 0 3 252.322 -1.053 20 0 CAADHN COCCNCC(=O)N1CCO[C@@H](CC(N)=O)C1 ZINC001119242529 779608531 /nfs/dbraw/zinc/60/85/31/779608531.db2.gz CRGXAWFHNKRBHV-VIFPVBQESA-N 0 3 259.306 -1.675 20 0 CAADHN CNC(=O)NC[C@H]1CN(C(=O)C2(N)CC2)CCO1 ZINC001119242705 779608790 /nfs/dbraw/zinc/60/87/90/779608790.db2.gz GCITUMOGIQOYOT-QMMMGPOBSA-N 0 3 256.306 -1.366 20 0 CAADHN CN1C(=O)CN(CC(=O)N2CCOC3(CNC3)C2)C1=O ZINC001119238984 779609102 /nfs/dbraw/zinc/60/91/02/779609102.db2.gz DTUPTYPNUWWBMR-UHFFFAOYSA-N 0 3 282.300 -1.919 20 0 CAADHN COC(=O)CNC(=O)CN[C@@H]1CCCNC(=O)C1 ZINC001119246852 779609174 /nfs/dbraw/zinc/60/91/74/779609174.db2.gz JJGABOXNMKJMJD-MRVPVSSYSA-N 0 3 257.290 -1.466 20 0 CAADHN O=C(C[C@@H]1CNCCO1)NCCN1CCNC1=O ZINC001119321905 779611812 /nfs/dbraw/zinc/61/18/12/779611812.db2.gz FXHBPDIBZWCDGC-SECBINFHSA-N 0 3 256.306 -1.494 20 0 CAADHN O=C(NCC[C@H]1CCCO1)C(=O)NC[C@H]1CNCCO1 ZINC001119363282 779613143 /nfs/dbraw/zinc/61/31/43/779613143.db2.gz VSZTYGLWWIHTNU-GHMZBOCLSA-N 0 3 285.344 -1.224 20 0 CAADHN O=C(NCC[C@H]1CCCO1)C(=O)NC[C@@H]1CNCCO1 ZINC001119363283 779613468 /nfs/dbraw/zinc/61/34/68/779613468.db2.gz VSZTYGLWWIHTNU-MNOVXSKESA-N 0 3 285.344 -1.224 20 0 CAADHN Cn1cc(CNCCN2CCNC2=O)c(=O)n(C)c1=O ZINC001119440590 779614677 /nfs/dbraw/zinc/61/46/77/779614677.db2.gz PEUNPYNSMOFFNC-UHFFFAOYSA-N 0 3 281.316 -1.801 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(C[C@@H]2COCCO2)C1=O ZINC001119622510 779619837 /nfs/dbraw/zinc/61/98/37/779619837.db2.gz NHQIQRFLUPOCFI-RKDXNWHRSA-N 0 3 257.290 -1.116 20 0 CAADHN CN(C)C[C@H]1NC(=O)N(C[C@H]2COCCO2)C1=O ZINC001119622508 779619879 /nfs/dbraw/zinc/61/98/79/779619879.db2.gz NHQIQRFLUPOCFI-DTWKUNHWSA-N 0 3 257.290 -1.116 20 0 CAADHN CN(CCNC(=O)C[C@@H]1CCC(=O)N1)CCOCCO ZINC001119612674 779619938 /nfs/dbraw/zinc/61/99/38/779619938.db2.gz NOJSWRCXFPZULB-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(C[C@H]2COCCO2)C1=O ZINC001119622509 779620094 /nfs/dbraw/zinc/62/00/94/779620094.db2.gz NHQIQRFLUPOCFI-IUCAKERBSA-N 0 3 257.290 -1.116 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CC[C@H](CF)C1 ZINC001119703994 779624058 /nfs/dbraw/zinc/62/40/58/779624058.db2.gz ANXAOHHYPOHXQK-LLVKDONJSA-N 0 3 286.351 -1.174 20 0 CAADHN CC[C@@]1(O)CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001119703655 779624111 /nfs/dbraw/zinc/62/41/11/779624111.db2.gz UKHSBSBGCQVAEG-CQSZACIVSA-N 0 3 298.387 -1.619 20 0 CAADHN C[C@@H](O)[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001119703128 779624180 /nfs/dbraw/zinc/62/41/80/779624180.db2.gz KBJZXUVDAGVWPX-NEPJUHHUSA-N 0 3 298.387 -1.763 20 0 CAADHN C[C@H](O)[C@H]1CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001119703130 779624264 /nfs/dbraw/zinc/62/42/64/779624264.db2.gz KBJZXUVDAGVWPX-RYUDHWBXSA-N 0 3 298.387 -1.763 20 0 CAADHN CN(CCNC(=O)C(=O)NCC[C@H]1CNC(=O)C1)C1CC1 ZINC001119717770 779624396 /nfs/dbraw/zinc/62/43/96/779624396.db2.gz KEKWUEXLNPGMRW-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CC[C@@H](F)C1 ZINC001119704837 779624524 /nfs/dbraw/zinc/62/45/24/779624524.db2.gz KBAQUZMPOSLTEN-SNVBAGLBSA-N 0 3 272.324 -1.422 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCC(CO)CC1 ZINC001119701973 779624565 /nfs/dbraw/zinc/62/45/65/779624565.db2.gz VOSKNJHKEHTZQE-UHFFFAOYSA-N 0 3 298.387 -1.761 20 0 CAADHN CN(C)C[C@@H]1NC(=O)N(Cc2cn(C)nn2)C1=O ZINC001119691084 779624658 /nfs/dbraw/zinc/62/46/58/779624658.db2.gz XNFVXSVSNXGVOM-QMMMGPOBSA-N 0 3 252.278 -1.203 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CC[C@@H](CF)C1 ZINC001119703995 779624861 /nfs/dbraw/zinc/62/48/61/779624861.db2.gz ANXAOHHYPOHXQK-NSHDSACASA-N 0 3 286.351 -1.174 20 0 CAADHN COC(=O)CNC(=O)CN1CCN(C)CCN(C)CC1 ZINC001119883619 779627935 /nfs/dbraw/zinc/62/79/35/779627935.db2.gz XWBNCQUBSKQDNN-UHFFFAOYSA-N 0 3 286.376 -1.545 20 0 CAADHN Cn1cc(CNCCO[C@@H]2CCOC2)c(=O)n(C)c1=O ZINC001120046312 779631267 /nfs/dbraw/zinc/63/12/67/779631267.db2.gz BGXIAOJQDCPLFY-LLVKDONJSA-N 0 3 283.328 -1.021 20 0 CAADHN Cn1cc(CNCCO[C@H]2CCOC2)c(=O)n(C)c1=O ZINC001120046316 779631326 /nfs/dbraw/zinc/63/13/26/779631326.db2.gz BGXIAOJQDCPLFY-NSHDSACASA-N 0 3 283.328 -1.021 20 0 CAADHN C[C@H]1[C@H](NCc2cn(CC(N)=O)nn2)CCN1C ZINC001120046711 779631489 /nfs/dbraw/zinc/63/14/89/779631489.db2.gz LNWCDOIUXKVSKU-WCBMZHEXSA-N 0 3 252.322 -1.054 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)COC ZINC001122316412 779663818 /nfs/dbraw/zinc/66/38/18/779663818.db2.gz IPKWDORDGNEUKA-UHFFFAOYSA-N 0 3 260.294 -1.816 20 0 CAADHN C[C@@](Cn1cccn1)(NC[C@@H]1CNCCO1)C(N)=O ZINC001120266977 779633590 /nfs/dbraw/zinc/63/35/90/779633590.db2.gz XKHXDSKGDOARLC-JQWIXIFHSA-N 0 3 267.333 -1.295 20 0 CAADHN C[C@](Cn1cccn1)(NC[C@@H]1CNCCO1)C(N)=O ZINC001120266976 779633876 /nfs/dbraw/zinc/63/38/76/779633876.db2.gz XKHXDSKGDOARLC-CMPLNLGQSA-N 0 3 267.333 -1.295 20 0 CAADHN CON(C)C(=O)CCNC[C@H](O)CS(C)(=O)=O ZINC001120380217 779634599 /nfs/dbraw/zinc/63/45/99/779634599.db2.gz GVAUEUAYCDUENY-QMMMGPOBSA-N 0 3 268.335 -1.609 20 0 CAADHN C[C@@H]1C[C@H]1CNC(=O)C(=O)N1CCNCCNCC1 ZINC001120427726 779636500 /nfs/dbraw/zinc/63/65/00/779636500.db2.gz QOLUOTOFWSYOJE-MNOVXSKESA-N 0 3 268.361 -1.220 20 0 CAADHN O=C1NCCC[C@@H]1NC[C@H](O)C[C@]1(O)CCOC1 ZINC001120491965 779638648 /nfs/dbraw/zinc/63/86/48/779638648.db2.gz GPKIKSBBTISJCA-JFGNBEQYSA-N 0 3 258.318 -1.243 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CNC(C)=O ZINC001122667390 779673845 /nfs/dbraw/zinc/67/38/45/779673845.db2.gz CNENIDMJQSJIQL-UHFFFAOYSA-N 0 3 258.322 -1.693 20 0 CAADHN O=C1NCCC[C@@H]1NC[C@@H](O)C[C@]1(O)CCOC1 ZINC001120491963 779638940 /nfs/dbraw/zinc/63/89/40/779638940.db2.gz GPKIKSBBTISJCA-JBLDHEPKSA-N 0 3 258.318 -1.243 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)NCC(C)C ZINC001122675558 779674673 /nfs/dbraw/zinc/67/46/73/779674673.db2.gz VCGUOUREVNUBST-UHFFFAOYSA-N 0 3 272.349 -1.400 20 0 CAADHN CC[C@H](O)CNCC(=O)NCCN1CCOCC1 ZINC001120574831 779642057 /nfs/dbraw/zinc/64/20/57/779642057.db2.gz QLLNICPZQKZBBF-NSHDSACASA-N 0 3 259.350 -1.205 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@H]1CCCNC1=O ZINC001122675192 779674791 /nfs/dbraw/zinc/67/47/91/779674791.db2.gz LDUDIODVBUQKNY-VIFPVBQESA-N 0 3 256.306 -1.893 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)COCC ZINC001123014777 779676736 /nfs/dbraw/zinc/67/67/36/779676736.db2.gz VUMHISAWIIMTFK-UHFFFAOYSA-N 0 3 275.349 -1.119 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C1=COCCO1 ZINC001123026241 779677252 /nfs/dbraw/zinc/67/72/52/779677252.db2.gz DWJBBKQFEYIGIG-QMMMGPOBSA-N 0 3 257.290 -1.285 20 0 CAADHN CN1CCNC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1 ZINC001121880434 779651430 /nfs/dbraw/zinc/65/14/30/779651430.db2.gz NUUQRPPVVNLZLO-NSHDSACASA-N 0 3 266.345 -1.277 20 0 CAADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CON ZINC001121917291 779652795 /nfs/dbraw/zinc/65/27/95/779652795.db2.gz QODKDPILLZKTMD-SNVBAGLBSA-N 0 3 272.349 -1.064 20 0 CAADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CON ZINC001121917290 779652978 /nfs/dbraw/zinc/65/29/78/779652978.db2.gz QODKDPILLZKTMD-JTQLQIEISA-N 0 3 272.349 -1.064 20 0 CAADHN N[C@H](CO)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC001121926173 779653257 /nfs/dbraw/zinc/65/32/57/779653257.db2.gz JXAJDYYBRSVJTR-GHMZBOCLSA-N 0 3 257.334 -1.513 20 0 CAADHN CN1C[C@@H](C(=O)N2CCNC(C)(C)C2)NCC1=O ZINC001121946553 779654067 /nfs/dbraw/zinc/65/40/67/779654067.db2.gz VEHLZBCAYNTPNU-VIFPVBQESA-N 0 3 254.334 -1.373 20 0 CAADHN CNC(=O)CCCN(C)C(=O)[C@H]1CNCCN1C ZINC001121958134 779654090 /nfs/dbraw/zinc/65/40/90/779654090.db2.gz PLNVZAADSLWQQO-SNVBAGLBSA-N 0 3 256.350 -1.125 20 0 CAADHN CN1CCNC[C@H]1C(=O)NCC(=O)OCC1CC1 ZINC001121947736 779654202 /nfs/dbraw/zinc/65/42/02/779654202.db2.gz SIYAUEYIBRFZLW-JTQLQIEISA-N 0 3 255.318 -1.041 20 0 CAADHN CC(C)[C@H]1CN(C(=O)[C@@H]2CN(C)C(=O)CN2)CCN1 ZINC001122016137 779655299 /nfs/dbraw/zinc/65/52/99/779655299.db2.gz XXMSXIWRZIETGE-MNOVXSKESA-N 0 3 268.361 -1.127 20 0 CAADHN CN1C(=O)CN(CC(=O)N[C@@H]2COC3(CNC3)C2)C1=O ZINC001122104736 779658969 /nfs/dbraw/zinc/65/89/69/779658969.db2.gz JFIDHTRZINWUPQ-QMMMGPOBSA-N 0 3 282.300 -1.873 20 0 CAADHN CN1CCNC[C@@H]1C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001122104443 779658994 /nfs/dbraw/zinc/65/89/94/779658994.db2.gz ZAAXUQIBELJCQN-IIMNLJJBSA-N 0 3 294.355 -1.599 20 0 CAADHN CN1C[C@@H](C(=O)N[C@H]2COC3(CNC3)C2)CC1=O ZINC001122141936 779659443 /nfs/dbraw/zinc/65/94/43/779659443.db2.gz HFISUUDTKSFANJ-DTWKUNHWSA-N 0 3 253.302 -1.288 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCNCC(=O)N(C)C ZINC001149094352 779659638 /nfs/dbraw/zinc/65/96/38/779659638.db2.gz HNTVWIVJLMSCBA-SECBINFHSA-N 0 3 287.364 -1.383 20 0 CAADHN N[C@@H]1CN(C(=O)CN2CCNC(=O)C2)CC[C@H]1F ZINC001122155382 779659777 /nfs/dbraw/zinc/65/97/77/779659777.db2.gz HYWLIOYNRIYQAI-RKDXNWHRSA-N 0 3 258.297 -1.684 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCN[C@@H]1CCNC1=O ZINC001149094372 779659793 /nfs/dbraw/zinc/65/97/93/779659793.db2.gz IMHCZTJHNHWTPA-RKDXNWHRSA-N 0 3 285.348 -1.582 20 0 CAADHN CN[C@H](C(=O)NC[C@H]1COCCN1)c1cnn(C)c1 ZINC001122172227 779659798 /nfs/dbraw/zinc/65/97/98/779659798.db2.gz UQHJGJWGIIPHPA-QWRGUYRKSA-N 0 3 267.333 -1.215 20 0 CAADHN CN[C@@H](C(=O)NC[C@H]1COCCN1)c1cnn(C)c1 ZINC001122172229 779659991 /nfs/dbraw/zinc/65/99/91/779659991.db2.gz UQHJGJWGIIPHPA-WDEREUQCSA-N 0 3 267.333 -1.215 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCN[C@@H](C)C(N)=O ZINC001149094342 779660049 /nfs/dbraw/zinc/66/00/49/779660049.db2.gz HBUZRGWWACMOKG-JGVFFNPUSA-N 0 3 273.337 -1.597 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001149094371 779660117 /nfs/dbraw/zinc/66/01/17/779660117.db2.gz IMHCZTJHNHWTPA-DTWKUNHWSA-N 0 3 285.348 -1.582 20 0 CAADHN CC1(C)NC(=O)N(CC(=O)N[C@@H]2COC3(CNC3)C2)C1=O ZINC001122142539 779660146 /nfs/dbraw/zinc/66/01/46/779660146.db2.gz SUMMIBCSHMWXSM-QMMMGPOBSA-N 0 3 296.327 -1.436 20 0 CAADHN COCCNCC(=O)NC[C@H](O)c1ccnn1C ZINC001122251405 779663021 /nfs/dbraw/zinc/66/30/21/779663021.db2.gz PGNKNYCGXOLDFO-JTQLQIEISA-N 0 3 256.306 -1.194 20 0 CAADHN COCCNCC(=O)NC[C@@H](O)c1ccnn1C ZINC001122251406 779663362 /nfs/dbraw/zinc/66/33/62/779663362.db2.gz PGNKNYCGXOLDFO-SNVBAGLBSA-N 0 3 256.306 -1.194 20 0 CAADHN COCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001122317387 779663798 /nfs/dbraw/zinc/66/37/98/779663798.db2.gz WVAAIBPCVZMLKL-UHFFFAOYSA-N 0 3 272.305 -1.673 20 0 CAADHN COCC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001122329904 779664528 /nfs/dbraw/zinc/66/45/28/779664528.db2.gz FQMYLIHYPZYSSS-UHFFFAOYSA-N 0 3 288.348 -1.037 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)COC ZINC001122316595 779664568 /nfs/dbraw/zinc/66/45/68/779664568.db2.gz KZRBQFYACQSQRU-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN COCC(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001122338290 779665170 /nfs/dbraw/zinc/66/51/70/779665170.db2.gz XXTPIUZHTSKJNS-UHFFFAOYSA-N 0 3 284.316 -2.064 20 0 CAADHN COCC(=O)NCCNCC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC001122337934 779665202 /nfs/dbraw/zinc/66/52/02/779665202.db2.gz ULWDHOBIEBCADT-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@H](C)N)C[C@@H]1C(=O)OC ZINC001122344611 779665357 /nfs/dbraw/zinc/66/53/57/779665357.db2.gz JVTQNZJJAKQMLS-FXQIFTODSA-N 0 3 258.274 -1.246 20 0 CAADHN COCCCNC(=O)[C@H](C)NCCNC(=O)COC ZINC001122338281 779665416 /nfs/dbraw/zinc/66/54/16/779665416.db2.gz XOFXUZBQXDITKN-JTQLQIEISA-N 0 3 275.349 -1.120 20 0 CAADHN COC[C@@H]1COCCN1C(=O)[C@H]1CNCCN1C ZINC001122343573 779665466 /nfs/dbraw/zinc/66/54/66/779665466.db2.gz UWMUNVRQEVYOOH-GHMZBOCLSA-N 0 3 257.334 -1.236 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@H](C)N)C[C@H]1C(=O)OC ZINC001122344613 779665492 /nfs/dbraw/zinc/66/54/92/779665492.db2.gz JVTQNZJJAKQMLS-XLPZGREQSA-N 0 3 258.274 -1.246 20 0 CAADHN COC[C@H]1COCCN1C(=O)[C@H]1CNCCN1C ZINC001122343576 779665563 /nfs/dbraw/zinc/66/55/63/779665563.db2.gz UWMUNVRQEVYOOH-WDEREUQCSA-N 0 3 257.334 -1.236 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)C(F)F ZINC001122424063 779667508 /nfs/dbraw/zinc/66/75/08/779667508.db2.gz IKDLBOYCVAIRBQ-UHFFFAOYSA-N 0 3 273.305 -1.103 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)C(F)F ZINC001122400961 779667600 /nfs/dbraw/zinc/66/76/00/779667600.db2.gz ZXHIAOCMOWZYLA-UHFFFAOYSA-N 0 3 266.248 -1.197 20 0 CAADHN O=C(NCCNCCN1CCCS1(=O)=O)C(F)F ZINC001122399382 779667776 /nfs/dbraw/zinc/66/77/76/779667776.db2.gz DTEHSVVSDQPJIH-UHFFFAOYSA-N 0 3 285.316 -1.007 20 0 CAADHN COCCC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001122393038 779667886 /nfs/dbraw/zinc/66/78/86/779667886.db2.gz APOFBDUWJQRODY-UHFFFAOYSA-N 0 3 281.378 -1.380 20 0 CAADHN CCC(=O)NCCNCC(=O)NC(=O)N[C@H](C)COC ZINC001122388192 779667942 /nfs/dbraw/zinc/66/79/42/779667942.db2.gz PLCYYPYLCIVYDZ-SECBINFHSA-N 0 3 288.348 -1.037 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCOC ZINC001122417456 779668023 /nfs/dbraw/zinc/66/80/23/779668023.db2.gz RANYJBKUMMNUSO-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCOC ZINC001122417454 779668082 /nfs/dbraw/zinc/66/80/82/779668082.db2.gz RANYJBKUMMNUSO-MRVPVSSYSA-N 0 3 274.321 -1.427 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)CCOC ZINC001122388170 779668218 /nfs/dbraw/zinc/66/82/18/779668218.db2.gz OJXUMYMLQXYTKT-UHFFFAOYSA-N 0 3 275.349 -1.119 20 0 CAADHN CC[C@@H](N)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)OC ZINC001122446876 779668878 /nfs/dbraw/zinc/66/88/78/779668878.db2.gz VYRUXYHSQFPVCI-HTQZYQBOSA-N 0 3 257.290 -1.434 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)C1CCOCC1 ZINC001122498269 779670500 /nfs/dbraw/zinc/67/05/00/779670500.db2.gz VXZKHBMOWWRCCB-JTQLQIEISA-N 0 3 283.328 -1.076 20 0 CAADHN C[C@H](NCCNC(=O)C1CCOCC1)C(=O)NC(N)=O ZINC001122502652 779671092 /nfs/dbraw/zinc/67/10/92/779671092.db2.gz DEDBZSSTOHGAAM-QMMMGPOBSA-N 0 3 286.332 -1.298 20 0 CAADHN CC(CO)(CO)CNC(=O)CNC[C@@H]1CCCO1 ZINC001122526058 779671360 /nfs/dbraw/zinc/67/13/60/779671360.db2.gz PKBNXLNCCFIOME-JTQLQIEISA-N 0 3 260.334 -1.138 20 0 CAADHN CC(F)(F)C(=O)NCCNCCNS(C)(=O)=O ZINC001122531467 779671477 /nfs/dbraw/zinc/67/14/77/779671477.db2.gz BLNHHMPSABTZMN-UHFFFAOYSA-N 0 3 273.305 -1.103 20 0 CAADHN CC(CO)(CO)CNC(=O)CNC[C@H]1CCCO1 ZINC001122526059 779671507 /nfs/dbraw/zinc/67/15/07/779671507.db2.gz PKBNXLNCCFIOME-SNVBAGLBSA-N 0 3 260.334 -1.138 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1cccnc1 ZINC001122648505 779673033 /nfs/dbraw/zinc/67/30/33/779673033.db2.gz WSYMNBBUIVRQDK-UHFFFAOYSA-N 0 3 286.357 -1.050 20 0 CAADHN CCCCNC(=O)CNCCNC(=O)CNC(C)=O ZINC001122668298 779673246 /nfs/dbraw/zinc/67/32/46/779673246.db2.gz ZRUCCOIAKMRWFW-UHFFFAOYSA-N 0 3 272.349 -1.255 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)N1CCC1 ZINC001122668293 779673522 /nfs/dbraw/zinc/67/35/22/779673522.db2.gz ZJJCRQCTSXFNAF-UHFFFAOYSA-N 0 3 256.306 -1.939 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccnc1)C(=O)NC(N)=O ZINC001122654886 779673630 /nfs/dbraw/zinc/67/36/30/779673630.db2.gz QFNFUQCDNUOFTH-MRVPVSSYSA-N 0 3 279.300 -1.016 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)N1CCCC1 ZINC001122668000 779673639 /nfs/dbraw/zinc/67/36/39/779673639.db2.gz RMBUMIGQAYUEOX-UHFFFAOYSA-N 0 3 270.333 -1.549 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)CNC(C)=O ZINC001122667336 779673751 /nfs/dbraw/zinc/67/37/51/779673751.db2.gz AUSVWXCGXYYLLI-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CC(=O)NCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001122668291 779673797 /nfs/dbraw/zinc/67/37/97/779673797.db2.gz ZGQKWJPGMOFIDJ-UHFFFAOYSA-N 0 3 299.331 -2.184 20 0 CAADHN CC(=O)NCC(=O)NCCNCc1cncn1C ZINC001122668005 779673918 /nfs/dbraw/zinc/67/39/18/779673918.db2.gz SAPGZTUHTZDKHU-UHFFFAOYSA-N 0 3 253.306 -1.238 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001122675573 779674328 /nfs/dbraw/zinc/67/43/28/779674328.db2.gz VQODTHPZCYNLBP-JTQLQIEISA-N 0 3 270.333 -1.551 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001122675356 779674397 /nfs/dbraw/zinc/67/43/97/779674397.db2.gz NJEFWHFKQJTPHI-GFCCVEGCSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001122679222 779674477 /nfs/dbraw/zinc/67/44/77/779674477.db2.gz IKJCWHKMHCGCBB-ZCFIWIBFSA-N 0 3 273.293 -2.588 20 0 CAADHN CCCC[C@@H](NCCNC(=O)CNC(C)=O)C(N)=O ZINC001122679905 779674554 /nfs/dbraw/zinc/67/45/54/779674554.db2.gz OFMUWCRSCOTNAC-SNVBAGLBSA-N 0 3 272.349 -1.128 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CNC(C)=O ZINC001122679550 779674579 /nfs/dbraw/zinc/67/45/79/779674579.db2.gz JVOLQKBWGZFUTK-ZETCQYMHSA-N 0 3 287.320 -2.328 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@@H]1CCN(C(C)C)C1=O ZINC001122679108 779674596 /nfs/dbraw/zinc/67/45/96/779674596.db2.gz GBRZCBQZLLJQBT-LLVKDONJSA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@H](C)C(=O)NCC(C)C ZINC001122678767 779674635 /nfs/dbraw/zinc/67/46/35/779674635.db2.gz BCROBIQPKKYNEU-SNVBAGLBSA-N 0 3 286.376 -1.011 20 0 CAADHN CC(=O)NCC(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001122680600 779674749 /nfs/dbraw/zinc/67/47/49/779674749.db2.gz WEQHPBKEYLKRLR-QMMMGPOBSA-N 0 3 258.322 -1.695 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)CNC(C)=O ZINC001122680236 779674767 /nfs/dbraw/zinc/67/47/67/779674767.db2.gz TXPVMMFOPKGPFK-SECBINFHSA-N 0 3 272.349 -1.257 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)CNC(C)=O ZINC001122679925 779674821 /nfs/dbraw/zinc/67/48/21/779674821.db2.gz PBZXYRZISDHHFZ-UHFFFAOYSA-N 0 3 294.377 -2.232 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnccn1 ZINC001122832546 779675492 /nfs/dbraw/zinc/67/54/92/779675492.db2.gz BBZSBHRXIFVFRY-MRVPVSSYSA-N 0 3 251.290 -1.070 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cnccn1 ZINC001122827551 779675701 /nfs/dbraw/zinc/67/57/01/779675701.db2.gz VAEVPIAEYIUZJL-UHFFFAOYSA-N 0 3 251.290 -1.116 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cnccn1 ZINC001122828002 779675708 /nfs/dbraw/zinc/67/57/08/779675708.db2.gz WOWDTEMMYYOFOU-QMMMGPOBSA-N 0 3 277.284 -1.399 20 0 CAADHN C[C@H](NCCNC(=O)c1cnccn1)C(=O)NC(N)=O ZINC001122840868 779675767 /nfs/dbraw/zinc/67/57/67/779675767.db2.gz VHGGCDOEHMHCEO-ZETCQYMHSA-N 0 3 280.288 -1.621 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnccn1)C(=O)NC(N)=O ZINC001122840866 779675805 /nfs/dbraw/zinc/67/58/05/779675805.db2.gz VHGGCDOEHMHCEO-SSDOTTSWSA-N 0 3 280.288 -1.621 20 0 CAADHN Cc1cnc(C(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001122921814 779675837 /nfs/dbraw/zinc/67/58/37/779675837.db2.gz QMSFQHADTIHTQO-UHFFFAOYSA-N 0 3 280.288 -1.701 20 0 CAADHN C[C@H]1C[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001122939298 779675873 /nfs/dbraw/zinc/67/58/73/779675873.db2.gz OXJCKBSUKVUDDF-IUCAKERBSA-N 0 3 263.363 -1.103 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnccn1 ZINC001122827581 779675913 /nfs/dbraw/zinc/67/59/13/779675913.db2.gz VJTMLPHLAGSENE-UHFFFAOYSA-N 0 3 251.290 -1.068 20 0 CAADHN CCNC(=O)CNCCNC(=O)C1=COCCO1 ZINC001123026792 779676682 /nfs/dbraw/zinc/67/66/82/779676682.db2.gz UCQUVNCYBWRUDO-UHFFFAOYSA-N 0 3 257.290 -1.284 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C1=COCCO1 ZINC001123026685 779676615 /nfs/dbraw/zinc/67/66/15/779676615.db2.gz PIROUEZNLPXCEP-UHFFFAOYSA-N 0 3 257.290 -1.331 20 0 CAADHN C[C@@H](NCCNC(=O)C1=COCCO1)C(=O)NC(N)=O ZINC001123032056 779676744 /nfs/dbraw/zinc/67/67/44/779676744.db2.gz MTFFFJLSVYYZFC-SSDOTTSWSA-N 0 3 286.288 -1.836 20 0 CAADHN O=C(CNCCNC(=O)C1=COCCO1)NC1CC1 ZINC001123026646 779676814 /nfs/dbraw/zinc/67/68/14/779676814.db2.gz OHUSGCLSSFMPDK-UHFFFAOYSA-N 0 3 269.301 -1.141 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C1=COCCO1 ZINC001123026119 779676867 /nfs/dbraw/zinc/67/68/67/779676867.db2.gz AYDXTSZGHWRLFY-UHFFFAOYSA-N 0 3 286.288 -1.964 20 0 CAADHN CCOCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001122984844 779676906 /nfs/dbraw/zinc/67/69/06/779676906.db2.gz SSXLBPXESRLEGR-ZETCQYMHSA-N 0 3 260.294 -1.688 20 0 CAADHN Cc1cnc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)cn1 ZINC001122945438 779677134 /nfs/dbraw/zinc/67/71/34/779677134.db2.gz CAZRBXHGVFXPLW-QMMMGPOBSA-N 0 3 294.315 -1.312 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCNCC(=O)N1CCC1 ZINC001123063654 779677938 /nfs/dbraw/zinc/67/79/38/779677938.db2.gz YHRWIZVVNFTYJI-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cc[n+]([O-])cc1 ZINC001123040364 779677982 /nfs/dbraw/zinc/67/79/82/779677982.db2.gz MXIYHBXZOGVQMO-UHFFFAOYSA-N 0 3 295.299 -1.905 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H](C)NC(C)=O ZINC001123072087 779677998 /nfs/dbraw/zinc/67/79/98/779677998.db2.gz KTIHCVBLDWDNHC-VIFPVBQESA-N 0 3 272.349 -1.257 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001123072500 779678021 /nfs/dbraw/zinc/67/80/21/779678021.db2.gz RFFBCJGCQAXKBT-APPZFPTMSA-N 0 3 284.316 -1.978 20 0 CAADHN O=C(CNCCNC(=O)c1cc[n+]([O-])cc1)NC1CC1 ZINC001123039043 779678041 /nfs/dbraw/zinc/67/80/41/779678041.db2.gz DORBZPASKFAACK-UHFFFAOYSA-N 0 3 278.312 -1.082 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cc[n+]([O-])cc1 ZINC001123038911 779678059 /nfs/dbraw/zinc/67/80/59/779678059.db2.gz BIBJKYVTYUVBMC-UHFFFAOYSA-N 0 3 281.272 -2.166 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001123071317 779678087 /nfs/dbraw/zinc/67/80/87/779678087.db2.gz BYPZVXIYUCPJIF-ZCFIWIBFSA-N 0 3 273.293 -2.588 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001123091542 779680399 /nfs/dbraw/zinc/68/03/99/779680399.db2.gz RKDAMILMYQZNSJ-NKWVEPMBSA-N 0 3 287.320 -2.200 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCO1)C(=O)NC(N)=O ZINC001123157757 779680449 /nfs/dbraw/zinc/68/04/49/779680449.db2.gz HOVDUWSNJXCFOG-HTQZYQBOSA-N 0 3 272.305 -1.545 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(=O)[nH]n1)C(=O)NC(N)=O ZINC001123104641 779680542 /nfs/dbraw/zinc/68/05/42/779680542.db2.gz YYXONEMSEHGVLD-LURJTMIESA-N 0 3 296.287 -1.915 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccc(=O)[nH]n1 ZINC001123097072 779680777 /nfs/dbraw/zinc/68/07/77/779680777.db2.gz XHMIFZUZJYNSEN-ZETCQYMHSA-N 0 3 267.289 -1.364 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCCO1)N1CCOCC1 ZINC001123142893 779680787 /nfs/dbraw/zinc/68/07/87/779680787.db2.gz BASOAXWGTRLRQV-NSHDSACASA-N 0 3 285.344 -1.270 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc(=O)[nH]n1)C(N)=O ZINC001123096576 779680933 /nfs/dbraw/zinc/68/09/33/779680933.db2.gz UTQAELBPJBDLBR-ZCFIWIBFSA-N 0 3 253.262 -1.625 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(=O)[nH]n1)C(N)=O ZINC001123096563 779680982 /nfs/dbraw/zinc/68/09/82/779680982.db2.gz UTQAELBPJBDLBR-LURJTMIESA-N 0 3 253.262 -1.625 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCCO1 ZINC001123150813 779681035 /nfs/dbraw/zinc/68/10/35/779681035.db2.gz DVKQMVJRFTWRCH-QMMMGPOBSA-N 0 3 272.305 -1.673 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC1CC1 ZINC001123092502 779681054 /nfs/dbraw/zinc/68/10/54/779681054.db2.gz YVOSWMZSNYNAEQ-BDAKNGLRSA-N 0 3 284.360 -1.116 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2ccc(=O)[nH]n2)C1=O ZINC001123095106 779681176 /nfs/dbraw/zinc/68/11/76/779681176.db2.gz DWPDJQGFYVAYSI-VIFPVBQESA-N 0 3 279.300 -1.268 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@H]1CCCO1 ZINC001123126451 779681235 /nfs/dbraw/zinc/68/12/35/779681235.db2.gz CGQRWVMBLCMCKJ-SECBINFHSA-N 0 3 279.362 -1.580 20 0 CAADHN C[C@@H]1CCCN(C(=O)CNCCNC(=O)CNC(N)=O)C1 ZINC001123235079 779681615 /nfs/dbraw/zinc/68/16/15/779681615.db2.gz FPBRUOTZEDPMGL-SNVBAGLBSA-N 0 3 299.375 -1.381 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CNC(N)=O ZINC001123235150 779681899 /nfs/dbraw/zinc/68/18/99/779681899.db2.gz IUKGPWVXQXRUPI-UHFFFAOYSA-N 0 3 274.281 -3.184 20 0 CAADHN CCC(C)(C)NC(=O)CNCCNC(=O)CNC(N)=O ZINC001123235329 779681912 /nfs/dbraw/zinc/68/19/12/779681912.db2.gz KLDBWIVSZUYEAV-UHFFFAOYSA-N 0 3 287.364 -1.335 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCSC ZINC001123192332 779681936 /nfs/dbraw/zinc/68/19/36/779681936.db2.gz VRKLALZWGIVANG-UHFFFAOYSA-N 0 3 276.362 -1.099 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CSC ZINC001123179394 779682057 /nfs/dbraw/zinc/68/20/57/779682057.db2.gz WTILTAAYJUPGAO-ZETCQYMHSA-N 0 3 276.362 -1.101 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)N1CCCCCC1 ZINC001123235758 779682205 /nfs/dbraw/zinc/68/22/05/779682205.db2.gz QWIADNAYBZRBMK-UHFFFAOYSA-N 0 3 299.375 -1.237 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CNC(N)=O ZINC001123234845 779682272 /nfs/dbraw/zinc/68/22/72/779682272.db2.gz DCUFQZQHSOVSJC-UHFFFAOYSA-N 0 3 259.310 -2.113 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)CNC(N)=O ZINC001123235138 779682325 /nfs/dbraw/zinc/68/23/25/779682325.db2.gz IGOJKJILOCYCES-UHFFFAOYSA-N 0 3 288.308 -2.794 20 0 CAADHN CSCC(=O)NCCNCCNS(C)(=O)=O ZINC001123173481 779682426 /nfs/dbraw/zinc/68/24/26/779682426.db2.gz UHVZVCOIDCNJMB-UHFFFAOYSA-N 0 3 269.392 -1.396 20 0 CAADHN Cc1cc(C(=O)NCCNCCNS(C)(=O)=O)no1 ZINC001123216627 779682455 /nfs/dbraw/zinc/68/24/55/779682455.db2.gz OUZCWHXBWIFNBI-UHFFFAOYSA-N 0 3 290.345 -1.148 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)CNC(N)=O ZINC001123235375 779682570 /nfs/dbraw/zinc/68/25/70/779682570.db2.gz LIZKYIKMHLCLDS-QMMMGPOBSA-N 0 3 273.337 -1.725 20 0 CAADHN NC(=O)NCC(=O)NCCN[C@H]1CCN(C2CCC2)C1=O ZINC001123243263 779683066 /nfs/dbraw/zinc/68/30/66/779683066.db2.gz ZPPNVPKKSBNPET-JTQLQIEISA-N 0 3 297.359 -1.486 20 0 CAADHN CN(C(=O)CNCCNC(=O)CNC(N)=O)C1CC1 ZINC001123256942 779683448 /nfs/dbraw/zinc/68/34/48/779683448.db2.gz BIYHNXCWFYNFRX-UHFFFAOYSA-N 0 3 271.321 -2.019 20 0 CAADHN CCCC[C@@H](NCCNC(=O)CNC(N)=O)C(N)=O ZINC001123241716 779683693 /nfs/dbraw/zinc/68/36/93/779683693.db2.gz HSEBNOLJWRROFR-MRVPVSSYSA-N 0 3 273.337 -1.595 20 0 CAADHN NC(=O)NCC(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001123257591 779684334 /nfs/dbraw/zinc/68/43/34/779684334.db2.gz KCBYTTCSAGDCCP-UHFFFAOYSA-N 0 3 293.327 -1.340 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)CNC(N)=O ZINC001123257612 779684364 /nfs/dbraw/zinc/68/43/64/779684364.db2.gz KLFUDFCPWRWWRB-UHFFFAOYSA-N 0 3 289.336 -2.487 20 0 CAADHN CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)CNC(N)=O ZINC001123257997 779684632 /nfs/dbraw/zinc/68/46/32/779684632.db2.gz LKAICHOQTHJLSP-VIFPVBQESA-N 0 3 287.364 -1.384 20 0 CAADHN NC(=O)NCC(=O)NCCNCC(=O)NCC1CC1 ZINC001123258467 779684888 /nfs/dbraw/zinc/68/48/88/779684888.db2.gz QDZQWKGNRMBFJS-UHFFFAOYSA-N 0 3 271.321 -2.113 20 0 CAADHN Cn1cc(CNCCNC(=O)CNC(N)=O)cn1 ZINC001123257999 779684954 /nfs/dbraw/zinc/68/49/54/779684954.db2.gz LLDFWCLSGTUSHB-UHFFFAOYSA-N 0 3 254.294 -1.706 20 0 CAADHN CCN(CC)C(=O)[C@H](C)NCCNC(=O)CNC(N)=O ZINC001123262703 779684961 /nfs/dbraw/zinc/68/49/61/779684961.db2.gz DLFWRYVHXSDUSR-VIFPVBQESA-N 0 3 287.364 -1.383 20 0 CAADHN CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)CNC(N)=O ZINC001123263912 779685009 /nfs/dbraw/zinc/68/50/09/779685009.db2.gz QZIJJRUPWHAJEH-IUCAKERBSA-N 0 3 287.364 -1.336 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CNC(N)=O ZINC001123257587 779685045 /nfs/dbraw/zinc/68/50/45/779685045.db2.gz KAQPVZUUXZZKBD-ZCFIWIBFSA-N 0 3 288.308 -2.795 20 0 CAADHN CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)CNC(N)=O ZINC001123257994 779685153 /nfs/dbraw/zinc/68/51/53/779685153.db2.gz LKAICHOQTHJLSP-SECBINFHSA-N 0 3 287.364 -1.384 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(N)=O)C(=O)NC1CCCC1 ZINC001123263861 779685159 /nfs/dbraw/zinc/68/51/59/779685159.db2.gz QDUGWSCFQSTMJD-SECBINFHSA-N 0 3 299.375 -1.192 20 0 CAADHN CC(C)[C@H](C)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123312984 779685600 /nfs/dbraw/zinc/68/56/00/779685600.db2.gz MJZRLKNXHBZLSV-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN CN(C(=O)CNCCNC(=O)Cn1cnnn1)C1CC1 ZINC001123306372 779685629 /nfs/dbraw/zinc/68/56/29/779685629.db2.gz VVHVZCMQLRQOAX-UHFFFAOYSA-N 0 3 281.320 -2.000 20 0 CAADHN CCC(C)(C)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123312545 779686041 /nfs/dbraw/zinc/68/60/41/779686041.db2.gz GHAGHHBUKPLYTR-UHFFFAOYSA-N 0 3 297.363 -1.316 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123312240 779686162 /nfs/dbraw/zinc/68/61/62/779686162.db2.gz BSNLSEPYCDELAS-UHFFFAOYSA-N 0 3 255.282 -2.533 20 0 CAADHN O=C(Cn1cnnn1)NCCN[C@@H]1CCCNC1=O ZINC001123312949 779686182 /nfs/dbraw/zinc/68/61/82/779686182.db2.gz KUYILJFHLNVWOC-MRVPVSSYSA-N 0 3 267.293 -2.343 20 0 CAADHN O=C(Cn1cnnn1)NCCN[C@H]1CCNC1=O ZINC001123312504 779686351 /nfs/dbraw/zinc/68/63/51/779686351.db2.gz DQEDPCVANUJABX-ZETCQYMHSA-N 0 3 253.266 -2.733 20 0 CAADHN O=C(Cn1cnnn1)NCCNCC(=O)N1CCC1 ZINC001123304470 779686429 /nfs/dbraw/zinc/68/64/29/779686429.db2.gz IUKLUWSWZZIJPS-UHFFFAOYSA-N 0 3 267.293 -2.389 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)Cn2cnnn2)C1=O ZINC001123323842 779686985 /nfs/dbraw/zinc/68/69/85/779686985.db2.gz VBGVYLPYDPHQRD-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN CN1CC[C@H](NCCNC(=O)Cn2cnnn2)C1=O ZINC001123326833 779686996 /nfs/dbraw/zinc/68/69/96/779686996.db2.gz IRQMTSZSJPOAMK-QMMMGPOBSA-N 0 3 267.293 -2.390 20 0 CAADHN C[C@H](NCCNC(=O)Cn1cnnn1)C(=O)N(C)C ZINC001123327945 779687509 /nfs/dbraw/zinc/68/75/09/779687509.db2.gz YBLABICNWKKNBC-QMMMGPOBSA-N 0 3 269.309 -2.144 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1cnnn1)C(N)=O ZINC001123328064 779687513 /nfs/dbraw/zinc/68/75/13/779687513.db2.gz ZUMFZJVBDZGAAU-SSDOTTSWSA-N 0 3 255.282 -2.357 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CN1CCCC1=O ZINC001123341544 779687880 /nfs/dbraw/zinc/68/78/80/779687880.db2.gz KLCAATKQGIURAO-UHFFFAOYSA-N 0 3 299.331 -2.230 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335175 779687916 /nfs/dbraw/zinc/68/79/16/779687916.db2.gz GWZWBMBGKKPIEZ-SSDOTTSWSA-N 0 3 298.307 -2.777 20 0 CAADHN CCCCNC(=O)[C@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335483 779687934 /nfs/dbraw/zinc/68/79/34/779687934.db2.gz TYEYHAHGNNHVGD-JTQLQIEISA-N 0 3 297.363 -1.316 20 0 CAADHN O=C(CN1CCCC1=O)NCCNCC(=O)N1CCCC1 ZINC001123335078 779688002 /nfs/dbraw/zinc/68/80/02/779688002.db2.gz BDIRCMCPZIRGOJ-UHFFFAOYSA-N 0 3 296.371 -1.063 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)CN2CCCC2=O)C1=O ZINC001123341343 779688086 /nfs/dbraw/zinc/68/80/86/779688086.db2.gz GNMYYIYJZSYSME-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)CN2CCCC2=O)C1=O ZINC001123341323 779688172 /nfs/dbraw/zinc/68/81/72/779688172.db2.gz FRLFIZQXXXKDRV-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CCCC1=O)C(=O)NC(N)=O ZINC001123348272 779688189 /nfs/dbraw/zinc/68/81/89/779688189.db2.gz SIPGHCFBHOUBDU-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN O=C(CN1CCCC1=O)NCCN[C@H]1CCCNC1=O ZINC001123341911 779688221 /nfs/dbraw/zinc/68/82/21/779688221.db2.gz SPIKSUVIKDKIOE-JTQLQIEISA-N 0 3 282.344 -1.407 20 0 CAADHN CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335495 779688276 /nfs/dbraw/zinc/68/82/76/779688276.db2.gz UOXGEUBSSVOMTJ-NXEZZACHSA-N 0 3 297.363 -1.318 20 0 CAADHN O=C(CN1CCCC1=O)NCCN[C@@H]1CCNC1=O ZINC001123342064 779688296 /nfs/dbraw/zinc/68/82/96/779688296.db2.gz ZUZAGTVKZKECIV-SECBINFHSA-N 0 3 268.317 -1.797 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)Cn1cnnn1)C1CC1 ZINC001123335415 779688324 /nfs/dbraw/zinc/68/83/24/779688324.db2.gz QFQKVWYGCVFIPD-VIFPVBQESA-N 0 3 295.347 -1.706 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1cnn(C)c1 ZINC001123348184 779688339 /nfs/dbraw/zinc/68/83/39/779688339.db2.gz OZABDBPPIHMHQC-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN CCCNC(=O)[C@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335639 779688422 /nfs/dbraw/zinc/68/84/22/779688422.db2.gz ZWCHWMVMWAAEOE-VIFPVBQESA-N 0 3 283.336 -1.706 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)CN2CCCC2=O)C1=O ZINC001123341322 779688439 /nfs/dbraw/zinc/68/84/39/779688439.db2.gz FRLFIZQXXXKDRV-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN O=C(CNCCNC(=O)CN1CCCC1=O)NC1CC1 ZINC001123341914 779688451 /nfs/dbraw/zinc/68/84/51/779688451.db2.gz SSSQXNUOGYWJHL-UHFFFAOYSA-N 0 3 282.344 -1.407 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CN1CCCC1=O ZINC001123341715 779688465 /nfs/dbraw/zinc/68/84/65/779688465.db2.gz NSWQJVZDUPRLLU-UHFFFAOYSA-N 0 3 284.360 -1.161 20 0 CAADHN CCC[C@H](C)NC(=O)CNCCNC(=O)Cn1cnnn1 ZINC001123335336 779688477 /nfs/dbraw/zinc/68/84/77/779688477.db2.gz NQAVIYAJGFCXPI-JTQLQIEISA-N 0 3 297.363 -1.316 20 0 CAADHN CC(C)CNC(=O)[C@H](C)NCCNC(=O)Cn1cnnn1 ZINC001123335324 779688514 /nfs/dbraw/zinc/68/85/14/779688514.db2.gz NEPHVKKFWSCWLK-JTQLQIEISA-N 0 3 297.363 -1.460 20 0 CAADHN Cc1ccc(C(=O)NCCNCC(=O)NC(N)=O)n1C ZINC001123497131 779689079 /nfs/dbraw/zinc/68/90/79/779689079.db2.gz KTOIWBXJWOOYKE-UHFFFAOYSA-N 0 3 281.316 -1.152 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1ccc[nH]1 ZINC001123453055 779689154 /nfs/dbraw/zinc/68/91/54/779689154.db2.gz HGZNKFBJZWAUCI-UHFFFAOYSA-N 0 3 274.346 -1.117 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cc(C)no1 ZINC001123424309 779689269 /nfs/dbraw/zinc/68/92/69/779689269.db2.gz UUZGECUWSVLAEU-UHFFFAOYSA-N 0 3 283.288 -1.242 20 0 CAADHN Cc1nnsc1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123388537 779689417 /nfs/dbraw/zinc/68/94/17/779689417.db2.gz ZUYBDMLJRDXCIJ-SSDOTTSWSA-N 0 3 297.340 -1.029 20 0 CAADHN Cc1nnsc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001123388538 779689434 /nfs/dbraw/zinc/68/94/34/779689434.db2.gz ZUYBDMLJRDXCIJ-ZETCQYMHSA-N 0 3 297.340 -1.029 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1cnn(C)c1 ZINC001123353571 779689441 /nfs/dbraw/zinc/68/94/41/779689441.db2.gz KNEFTZLUUGSCIJ-UHFFFAOYSA-N 0 3 296.331 -1.415 20 0 CAADHN O=C(Cn1cccn1)NCCN[C@H]1CCNC1=O ZINC001123514893 779689465 /nfs/dbraw/zinc/68/94/65/779689465.db2.gz IQVGVFUJCWWFPJ-VIFPVBQESA-N 0 3 251.290 -1.523 20 0 CAADHN C[C@@H](NCCNC(=O)c1cnn(C)c1)C(=O)NC(N)=O ZINC001123358387 779689536 /nfs/dbraw/zinc/68/95/36/779689536.db2.gz DBSDFESAMAOQNH-SSDOTTSWSA-N 0 3 282.304 -1.677 20 0 CAADHN O=C(Cn1cccn1)NCCN[C@@H]1CCNC1=O ZINC001123514891 779689564 /nfs/dbraw/zinc/68/95/64/779689564.db2.gz IQVGVFUJCWWFPJ-SECBINFHSA-N 0 3 251.290 -1.523 20 0 CAADHN Cc1nnsc1C(=O)NCCNCC(=O)NC(N)=O ZINC001123381283 779689790 /nfs/dbraw/zinc/68/97/90/779689790.db2.gz JNZUKFSZWPQUBA-UHFFFAOYSA-N 0 3 286.317 -1.639 20 0 CAADHN Cc1c(C(=O)NCCN[C@H]2CCC(=O)NC2=O)cnn1C ZINC001123592259 779690406 /nfs/dbraw/zinc/69/04/06/779690406.db2.gz QATVANDWJOVTBK-JTQLQIEISA-N 0 3 293.327 -1.147 20 0 CAADHN Cc1c(C(=O)NCCN[C@@H]2CCNC2=O)cnn1C ZINC001123592448 779690446 /nfs/dbraw/zinc/69/04/46/779690446.db2.gz ZFAWYAYLJKAJIA-SNVBAGLBSA-N 0 3 265.317 -1.064 20 0 CAADHN O=C(Cn1cccn1)NCCN[C@@H]1CCCNC1=O ZINC001123526233 779690555 /nfs/dbraw/zinc/69/05/55/779690555.db2.gz LINQAUOVKRIRIE-SNVBAGLBSA-N 0 3 265.317 -1.133 20 0 CAADHN Cc1c(C(=O)NCCN[C@H]2CCNC2=O)cnn1C ZINC001123592447 779690688 /nfs/dbraw/zinc/69/06/88/779690688.db2.gz ZFAWYAYLJKAJIA-JTQLQIEISA-N 0 3 265.317 -1.064 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cn1cccn1 ZINC001123531420 779690751 /nfs/dbraw/zinc/69/07/51/779690751.db2.gz NDSSCXHFERXUJM-VIFPVBQESA-N 0 3 296.331 -1.567 20 0 CAADHN O=C(Cn1cccn1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001123527004 779691118 /nfs/dbraw/zinc/69/11/18/779691118.db2.gz SNDMOVQLVKFQSD-SECBINFHSA-N 0 3 279.300 -1.606 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)Cn1cccn1 ZINC001123531419 779691193 /nfs/dbraw/zinc/69/11/93/779691193.db2.gz NDSSCXHFERXUJM-SECBINFHSA-N 0 3 296.331 -1.567 20 0 CAADHN O=C(CCn1cccn1)NCCN[C@H]1CCNC1=O ZINC001123712256 779691593 /nfs/dbraw/zinc/69/15/93/779691593.db2.gz FJLRSPOZMDHLRK-JTQLQIEISA-N 0 3 265.317 -1.133 20 0 CAADHN C[C@H](NCCNC(=O)CCn1cncn1)C(N)=O ZINC001123666248 779691640 /nfs/dbraw/zinc/69/16/40/779691640.db2.gz FGQQOFPGGIRGPD-QMMMGPOBSA-N 0 3 254.294 -1.752 20 0 CAADHN O=C(CCn1cncn1)NCCNCC(=O)NC1CC1 ZINC001123659565 779691810 /nfs/dbraw/zinc/69/18/10/779691810.db2.gz MCZCRPRGOKZPRG-UHFFFAOYSA-N 0 3 280.332 -1.347 20 0 CAADHN C[C@H](NCCNC(=O)CCn1cncn1)C(=O)N(C)C ZINC001123676427 779691827 /nfs/dbraw/zinc/69/18/27/779691827.db2.gz NCTGYFROPYNYGC-JTQLQIEISA-N 0 3 282.348 -1.149 20 0 CAADHN CC[C@H](NCCNC(=O)CCn1cncn1)C(N)=O ZINC001123676485 779691984 /nfs/dbraw/zinc/69/19/84/779691984.db2.gz PDABJNCTUXOCLZ-VIFPVBQESA-N 0 3 268.321 -1.362 20 0 CAADHN O=C(CCn1cncn1)NCCN[C@@H]1CCCNC1=O ZINC001123671530 779692060 /nfs/dbraw/zinc/69/20/60/779692060.db2.gz SZEPMJFXKUHTGH-SNVBAGLBSA-N 0 3 280.332 -1.347 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCn1cncn1 ZINC001123675823 779692097 /nfs/dbraw/zinc/69/20/97/779692097.db2.gz CHMDMLWQJIZXTA-SECBINFHSA-N 0 3 268.321 -1.492 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CCn1cncn1 ZINC001123659074 779692192 /nfs/dbraw/zinc/69/21/92/779692192.db2.gz CQDPDEFVRFWVCR-UHFFFAOYSA-N 0 3 282.348 -1.100 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCn1cncn1 ZINC001123660436 779692203 /nfs/dbraw/zinc/69/22/03/779692203.db2.gz ZOPQCJAEMNECLX-UHFFFAOYSA-N 0 3 268.321 -1.490 20 0 CAADHN CC[C@@H](NCCNC(=O)CCn1cncn1)C(N)=O ZINC001123676484 779692321 /nfs/dbraw/zinc/69/23/21/779692321.db2.gz PDABJNCTUXOCLZ-SECBINFHSA-N 0 3 268.321 -1.362 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)CCn2cncn2)C1=O ZINC001123671496 779692371 /nfs/dbraw/zinc/69/23/71/779692371.db2.gz RVDKWIMBTLFUPV-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN CCO[C@H](CC)C(=O)NCCNCC(=O)NC(N)=O ZINC001124392212 779711764 /nfs/dbraw/zinc/71/17/64/779711764.db2.gz GTKLSEOQAQFMNM-MRVPVSSYSA-N 0 3 274.321 -1.298 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H]1COCCO1 ZINC001123869668 779695521 /nfs/dbraw/zinc/69/55/21/779695521.db2.gz KHSZGYPIDZHBMF-RKDXNWHRSA-N 0 3 285.300 -2.087 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1COCCO1)N1CCCC1 ZINC001123869526 779695626 /nfs/dbraw/zinc/69/56/26/779695626.db2.gz IUWJHICEUWEEIP-NSHDSACASA-N 0 3 285.344 -1.270 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H]1COCCO1 ZINC001123869666 779695691 /nfs/dbraw/zinc/69/56/91/779695691.db2.gz KHSZGYPIDZHBMF-IUCAKERBSA-N 0 3 285.300 -2.087 20 0 CAADHN CO[C@H](C)CC(=O)NCCNCC(=O)NC(N)=O ZINC001124594560 779713529 /nfs/dbraw/zinc/71/35/29/779713529.db2.gz KZYDJKREIJVAEW-SSDOTTSWSA-N 0 3 260.294 -1.688 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1COCCO1)NCC1CC1 ZINC001123868985 779695705 /nfs/dbraw/zinc/69/57/05/779695705.db2.gz FNLNKUDVYKXRMK-LLVKDONJSA-N 0 3 285.344 -1.366 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001124661574 779713832 /nfs/dbraw/zinc/71/38/32/779713832.db2.gz FEVXPAZKSXLPJB-HTQZYQBOSA-N 0 3 257.290 -1.753 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1COCCO1)C(N)=O ZINC001123883127 779696504 /nfs/dbraw/zinc/69/65/04/779696504.db2.gz INQQIBIYUHNFTE-RKDXNWHRSA-N 0 3 259.306 -1.629 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@@H]1COCCO1 ZINC001123882923 779696536 /nfs/dbraw/zinc/69/65/36/779696536.db2.gz GVGOXOLGKDTZQK-VIFPVBQESA-N 0 3 295.361 -2.343 20 0 CAADHN CN1CC[C@H](NCCNC(=O)[C@H]2COCCO2)C1=O ZINC001123883990 779696729 /nfs/dbraw/zinc/69/67/29/779696729.db2.gz SRAHEMIZFDXDAE-VHSXEESVSA-N 0 3 271.317 -1.662 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)[C@@H]1COCCO1 ZINC001123878077 779696808 /nfs/dbraw/zinc/69/68/08/779696808.db2.gz YITFDRAFUCCPCF-NSHDSACASA-N 0 3 287.360 -1.120 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CC[C@@H]1CCCO1 ZINC001123884249 779696918 /nfs/dbraw/zinc/69/69/18/779696918.db2.gz WZHQSLDCROMDRS-VIFPVBQESA-N 0 3 286.332 -1.154 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1COCCO1)N1CCC1 ZINC001123870590 779696980 /nfs/dbraw/zinc/69/69/80/779696980.db2.gz XFTKDDXGAJGXGD-SNVBAGLBSA-N 0 3 271.317 -1.660 20 0 CAADHN CCc1cc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[nH]n1 ZINC001123870619 779697204 /nfs/dbraw/zinc/69/72/04/779697204.db2.gz YAWHZLIQXFIFMG-ZETCQYMHSA-N 0 3 296.331 -1.125 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1COCCO1 ZINC001123870620 779697299 /nfs/dbraw/zinc/69/72/99/779697299.db2.gz YDDGMSAUNIOZGB-SECBINFHSA-N 0 3 259.306 -1.756 20 0 CAADHN CCOCCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124722980 779716805 /nfs/dbraw/zinc/71/68/05/779716805.db2.gz JLLXWQFRSMFDLB-MRVPVSSYSA-N 0 3 274.321 -1.298 20 0 CAADHN C[C@H]1CN(C(=O)CNCCNC(=O)c2ccn[nH]2)CCO1 ZINC001123904252 779697697 /nfs/dbraw/zinc/69/76/97/779697697.db2.gz VVJMBIAOMNTMHD-JTQLQIEISA-N 0 3 295.343 -1.024 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)c1ccn[nH]1 ZINC001123897940 779697716 /nfs/dbraw/zinc/69/77/16/779697716.db2.gz SDTYVUODBMBFHY-UHFFFAOYSA-N 0 3 282.304 -1.425 20 0 CAADHN O=C(CNCCNC(=O)c1ccn[nH]1)NC[C@@H]1CCOC1 ZINC001123903907 779697846 /nfs/dbraw/zinc/69/78/46/779697846.db2.gz CUKDPFUTDCDGHA-JTQLQIEISA-N 0 3 295.343 -1.118 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1COCCO1)C(=O)NC(N)=O ZINC001123891700 779697894 /nfs/dbraw/zinc/69/78/94/779697894.db2.gz RNHLTQTWIDLTMB-SFYZADRCSA-N 0 3 288.304 -2.309 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ccn[nH]1 ZINC001123898246 779698192 /nfs/dbraw/zinc/69/81/92/779698192.db2.gz YIFQPGYKYWSFBE-UHFFFAOYSA-N 0 3 268.277 -1.815 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccn[nH]1 ZINC001123898268 779698223 /nfs/dbraw/zinc/69/82/23/779698223.db2.gz ZLNANWYVRSEWSV-UHFFFAOYSA-N 0 3 254.250 -2.076 20 0 CAADHN CN1CCC[C@H]1C(=O)NCCNCCS(C)(=O)=O ZINC001124872475 779719260 /nfs/dbraw/zinc/71/92/60/779719260.db2.gz HHMZZQJNYVCDNG-JTQLQIEISA-N 0 3 277.390 -1.169 20 0 CAADHN CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1ccn[nH]1 ZINC001123890715 779698319 /nfs/dbraw/zinc/69/83/19/779698319.db2.gz AXZOXLNTDPQCFX-MRVPVSSYSA-N 0 3 296.331 -1.037 20 0 CAADHN O=C(CNCCNC(=O)c1ccn[nH]1)N1CCOCC1 ZINC001123897450 779698507 /nfs/dbraw/zinc/69/85/07/779698507.db2.gz CQSMRMXFAWOWPE-UHFFFAOYSA-N 0 3 281.316 -1.412 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1ccn[nH]1 ZINC001123897762 779698517 /nfs/dbraw/zinc/69/85/17/779698517.db2.gz NMMHKPIZTSPQLR-ZETCQYMHSA-N 0 3 265.273 -1.466 20 0 CAADHN CCO[C@H](C)C(=O)NCCNCC(=O)N1CCOCC1 ZINC001123963476 779699336 /nfs/dbraw/zinc/69/93/36/779699336.db2.gz XKNPNAFMGCXXNM-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)n1cccn1)C(=O)NC(N)=O ZINC001123932298 779699355 /nfs/dbraw/zinc/69/93/55/779699355.db2.gz ZDIAFUFHFNJZTD-BDAKNGLRSA-N 0 3 296.331 -1.267 20 0 CAADHN CCO[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001123974336 779699520 /nfs/dbraw/zinc/69/95/20/779699520.db2.gz LJAGBKFBABYGSD-IUCAKERBSA-N 0 3 288.348 -1.039 20 0 CAADHN CCO[C@H](C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001123974337 779699648 /nfs/dbraw/zinc/69/96/48/779699648.db2.gz LJAGBKFBABYGSD-RKDXNWHRSA-N 0 3 288.348 -1.039 20 0 CAADHN C[C@@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)n1cccn1 ZINC001123919363 779699679 /nfs/dbraw/zinc/69/96/79/779699679.db2.gz WEXQACQTABTMSZ-UWVGGRQHSA-N 0 3 293.327 -1.045 20 0 CAADHN CS[C@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001123944309 779699799 /nfs/dbraw/zinc/69/97/99/779699799.db2.gz ROHZOYQQCCKGMT-ZCFIWIBFSA-N 0 3 262.335 -1.361 20 0 CAADHN COCCCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124067807 779701583 /nfs/dbraw/zinc/70/15/83/779701583.db2.gz LJXZXSRCKOQCRP-SECBINFHSA-N 0 3 271.317 -1.076 20 0 CAADHN O=C(NCCN[C@@H]1CCC(=O)NC1=O)c1cn[nH]c1 ZINC001124055540 779701712 /nfs/dbraw/zinc/70/17/12/779701712.db2.gz FPSNEINRBQHYGD-MRVPVSSYSA-N 0 3 265.273 -1.466 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCCOC ZINC001124079077 779701800 /nfs/dbraw/zinc/70/18/00/779701800.db2.gz ZRIDIKIHVVKXTL-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cn[nH]c1 ZINC001124055602 779701881 /nfs/dbraw/zinc/70/18/81/779701881.db2.gz HVLFFTOTUGSFLH-UHFFFAOYSA-N 0 3 268.277 -1.815 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2cn[nH]c2)C1=O ZINC001124061515 779701925 /nfs/dbraw/zinc/70/19/25/779701925.db2.gz VCRRSNVDZVVZKL-VIFPVBQESA-N 0 3 251.290 -1.040 20 0 CAADHN O=C(CNCCNC(=O)c1cn[nH]c1)N1CCC1 ZINC001124067885 779702016 /nfs/dbraw/zinc/70/20/16/779702016.db2.gz OXQIQZVFUMOONA-UHFFFAOYSA-N 0 3 251.290 -1.039 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2cn[nH]c2)C1=O ZINC001124061514 779702034 /nfs/dbraw/zinc/70/20/34/779702034.db2.gz VCRRSNVDZVVZKL-SECBINFHSA-N 0 3 251.290 -1.040 20 0 CAADHN CCS(=O)(=O)NCCNCCNC(=O)c1cn[nH]c1 ZINC001124061187 779702075 /nfs/dbraw/zinc/70/20/75/779702075.db2.gz GARZSNJOOBOSHE-UHFFFAOYSA-N 0 3 289.361 -1.332 20 0 CAADHN CCCNC(=O)NC(=O)CNCCNC(=O)c1cn[nH]c1 ZINC001124056200 779702149 /nfs/dbraw/zinc/70/21/49/779702149.db2.gz ZSGMMEKOXVQINE-UHFFFAOYSA-N 0 3 296.331 -1.035 20 0 CAADHN CN1CCN(C(=O)CNC(=O)Cc2cnc[nH]2)CC1 ZINC001124078917 779702191 /nfs/dbraw/zinc/70/21/91/779702191.db2.gz TZTKLINIMWMISN-UHFFFAOYSA-N 0 3 265.317 -1.158 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)CNC(=O)C2CC2)C1=O ZINC001124101933 779702769 /nfs/dbraw/zinc/70/27/69/779702769.db2.gz SXAIYULNHWTLPZ-LLVKDONJSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)C1CC1)C(=O)NC(N)=O ZINC001124089123 779702882 /nfs/dbraw/zinc/70/28/82/779702882.db2.gz UHBNKYYZROESQN-ZETCQYMHSA-N 0 3 299.331 -2.198 20 0 CAADHN CN(C(=O)CNCCNC(=O)CNC(=O)C1CC1)C1CC1 ZINC001124084024 779703020 /nfs/dbraw/zinc/70/30/20/779703020.db2.gz CHUNMLYIOKXTNT-UHFFFAOYSA-N 0 3 296.371 -1.161 20 0 CAADHN COCCCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124098132 779703055 /nfs/dbraw/zinc/70/30/55/779703055.db2.gz YVZFHTCQMLUSDL-QMMMGPOBSA-N 0 3 274.321 -1.298 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCCOC ZINC001124097504 779703124 /nfs/dbraw/zinc/70/31/24/779703124.db2.gz RUKGTMTUQGAHJE-UHFFFAOYSA-N 0 3 274.321 -1.426 20 0 CAADHN O=C(CNC(=O)C1CC1)NCCNCC(=O)NC1CC1 ZINC001124089197 779703316 /nfs/dbraw/zinc/70/33/16/779703316.db2.gz XHKBWXPTAUSEFW-UHFFFAOYSA-N 0 3 282.344 -1.503 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)CNC(=O)C2CC2)C1=O ZINC001124101934 779703390 /nfs/dbraw/zinc/70/33/90/779703390.db2.gz SXAIYULNHWTLPZ-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CNC(=O)C1CC1 ZINC001124089114 779703525 /nfs/dbraw/zinc/70/35/25/779703525.db2.gz TZWSGYICGJKEHS-UHFFFAOYSA-N 0 3 299.331 -2.326 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001149100895 779703766 /nfs/dbraw/zinc/70/37/66/779703766.db2.gz XRYUEZVXGDETSG-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN COC(=O)NCC(=O)NCCNCC(=O)N(C)C ZINC001124171796 779704179 /nfs/dbraw/zinc/70/41/79/779704179.db2.gz CVNBDQKTIVYTBU-UHFFFAOYSA-N 0 3 260.294 -1.864 20 0 CAADHN COC(=O)NCC(=O)NCCNCC(=O)N(C)C(C)C ZINC001124172917 779704709 /nfs/dbraw/zinc/70/47/09/779704709.db2.gz SCALPZOOKYQPBY-UHFFFAOYSA-N 0 3 288.348 -1.085 20 0 CAADHN CCO[C@@H]1C[C@H]1C(=O)NCCNCC(=O)N1CCOCC1 ZINC001124141731 779704929 /nfs/dbraw/zinc/70/49/29/779704929.db2.gz WYAJVLOJVMNJJJ-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN CC[C@H](C)NC(=O)CNCCNC(=O)CNC(=O)OC ZINC001124172185 779705039 /nfs/dbraw/zinc/70/50/39/779705039.db2.gz HBPRPUQIAZNNGO-VIFPVBQESA-N 0 3 288.348 -1.037 20 0 CAADHN C[C@H](NCCNC(=O)c1cnsn1)C(=O)NC(N)=O ZINC001124172207 779705051 /nfs/dbraw/zinc/70/50/51/779705051.db2.gz HSUILNLCPACMPF-YFKPBYRVSA-N 0 3 286.317 -1.559 20 0 CAADHN Cc1ncncc1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124119970 779705187 /nfs/dbraw/zinc/70/51/87/779705187.db2.gz UUFUDYUWNLXLFU-JTQLQIEISA-N 0 3 291.311 -1.090 20 0 CAADHN CCO[C@H]1C[C@H]1C(=O)NCCNCC(=O)NC(=O)NC ZINC001124150315 779705293 /nfs/dbraw/zinc/70/52/93/779705293.db2.gz ZQOLGUVYQFJVJQ-BDAKNGLRSA-N 0 3 286.332 -1.427 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124311436 779708603 /nfs/dbraw/zinc/70/86/03/779708603.db2.gz RWLHBHRNPDXJGA-VIFPVBQESA-N 0 3 298.343 -1.586 20 0 CAADHN CCCCOCC(=O)NCCNCC(=O)NC(N)=O ZINC001125072667 779720640 /nfs/dbraw/zinc/72/06/40/779720640.db2.gz WMZCTKYFRQERSO-UHFFFAOYSA-N 0 3 274.321 -1.296 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C)OC ZINC001124273688 779708708 /nfs/dbraw/zinc/70/87/08/779708708.db2.gz SCTQMEHJMSMWDI-QMMMGPOBSA-N 0 3 274.321 -1.427 20 0 CAADHN Cc1cnn(CC(=O)NCCNCC(=O)NC(N)=O)c1 ZINC001124288147 779708744 /nfs/dbraw/zinc/70/87/44/779708744.db2.gz XIRCIGSKNNAFNH-UHFFFAOYSA-N 0 3 282.304 -1.908 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@@H]1CCNC1=O ZINC001124305110 779708755 /nfs/dbraw/zinc/70/87/55/779708755.db2.gz HWDPHGPTUQSSLL-SECBINFHSA-N 0 3 270.333 -1.503 20 0 CAADHN CO[C@@H](C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124296798 779708775 /nfs/dbraw/zinc/70/87/75/779708775.db2.gz ALBNUGRLYVLNFX-RQJHMYQMSA-N 0 3 260.294 -1.690 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@H](C)C(N)=O ZINC001124310684 779708834 /nfs/dbraw/zinc/70/88/34/779708834.db2.gz HQUJYRDTRJEYEX-MRVPVSSYSA-N 0 3 258.322 -1.518 20 0 CAADHN CO[C@H](C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001124297477 779708876 /nfs/dbraw/zinc/70/88/76/779708876.db2.gz ICBBGNQQRRYIDF-SECBINFHSA-N 0 3 298.343 -1.675 20 0 CAADHN CO[C@@H](C)C(=O)NCCNCC(=O)N1CCOCC1 ZINC001124273484 779708887 /nfs/dbraw/zinc/70/88/87/779708887.db2.gz PBMPYOGYUBOFHC-JTQLQIEISA-N 0 3 273.333 -1.414 20 0 CAADHN CO[C@@H](C)C(=O)NCCNCc1cc(=O)n(C)c(=O)n1C ZINC001124297479 779708992 /nfs/dbraw/zinc/70/89/92/779708992.db2.gz ICBBGNQQRRYIDF-VIFPVBQESA-N 0 3 298.343 -1.675 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)OC ZINC001124273939 779709048 /nfs/dbraw/zinc/70/90/48/779709048.db2.gz TVCSMPKBHPFKTR-SSDOTTSWSA-N 0 3 260.294 -1.817 20 0 CAADHN CO[C@@H](C)C(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001124293662 779709093 /nfs/dbraw/zinc/70/90/93/779709093.db2.gz XAUURYNLRUQTTL-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN CCCC(=O)NCC(=O)NCCNCC(=O)N(C)C ZINC001124306350 779709162 /nfs/dbraw/zinc/70/91/62/779709162.db2.gz ZTSMPBIMFFTFHC-UHFFFAOYSA-N 0 3 272.349 -1.303 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C)OC ZINC001124298956 779709239 /nfs/dbraw/zinc/70/92/39/779709239.db2.gz ZKMPHXANMHZIFU-YUMQZZPRSA-N 0 3 274.321 -1.429 20 0 CAADHN CCCC(=O)NCC(=O)NCCN[C@H]1CCCNC1=O ZINC001124306106 779709405 /nfs/dbraw/zinc/70/94/05/779709405.db2.gz VFCGWSLSCHKJRO-JTQLQIEISA-N 0 3 284.360 -1.113 20 0 CAADHN CO[C@@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001124293635 779709456 /nfs/dbraw/zinc/70/94/56/779709456.db2.gz WJLQCFNRCPHVTP-QMMMGPOBSA-N 0 3 267.351 -1.724 20 0 CAADHN C[C@H](NCCNC(=O)CS(C)(=O)=O)C(=O)NC(N)=O ZINC001124366273 779710106 /nfs/dbraw/zinc/71/01/06/779710106.db2.gz HTHWRSDVYOERRH-LURJTMIESA-N 0 3 294.333 -2.680 20 0 CAADHN CCCC[C@@H](NCCNC(=O)CS(C)(=O)=O)C(N)=O ZINC001124367291 779710181 /nfs/dbraw/zinc/71/01/81/779710181.db2.gz UGCQLGDGIUXVLD-SECBINFHSA-N 0 3 293.389 -1.219 20 0 CAADHN Cc1cnn(CC(=O)NCCN[C@H](C)C(=O)NC(N)=O)c1 ZINC001124335627 779710227 /nfs/dbraw/zinc/71/02/27/779710227.db2.gz WDGVEOWBOWXAEQ-SECBINFHSA-N 0 3 296.331 -1.519 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CS(C)(=O)=O ZINC001124366537 779710340 /nfs/dbraw/zinc/71/03/40/779710340.db2.gz LOQNOSBCINEUII-SSDOTTSWSA-N 0 3 265.335 -2.129 20 0 CAADHN Cc1ocnc1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124371099 779711009 /nfs/dbraw/zinc/71/10/09/779711009.db2.gz CJGXDCZPTKLHRY-LURJTMIESA-N 0 3 283.288 -1.114 20 0 CAADHN CC(C)OCC(=O)NCCNCC(=O)NC(N)=O ZINC001124431924 779711605 /nfs/dbraw/zinc/71/16/05/779711605.db2.gz BVDRNJSWRRNORQ-UHFFFAOYSA-N 0 3 260.294 -1.688 20 0 CAADHN CC(C)OCC(=O)NCCNCCNS(C)(=O)=O ZINC001124436605 779711664 /nfs/dbraw/zinc/71/16/64/779711664.db2.gz AWVXSAMPRLNVKB-UHFFFAOYSA-N 0 3 281.378 -1.334 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCOC1)C(=O)NC(N)=O ZINC001124514157 779711828 /nfs/dbraw/zinc/71/18/28/779711828.db2.gz GPTPQRCJPNQMJN-SFYZADRCSA-N 0 3 272.305 -1.688 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCOC2)C1=O ZINC001124509127 779711840 /nfs/dbraw/zinc/71/18/40/779711840.db2.gz LYBZLVJQMVLHMN-NXEZZACHSA-N 0 3 255.318 -1.041 20 0 CAADHN CCCOCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001124450198 779712078 /nfs/dbraw/zinc/71/20/78/779712078.db2.gz RBLKGZTZCNBBCZ-SECBINFHSA-N 0 3 271.317 -1.076 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCOC1 ZINC001124508977 779712092 /nfs/dbraw/zinc/71/20/92/779712092.db2.gz KONROFJPFBGSTJ-SECBINFHSA-N 0 3 279.362 -1.722 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@H]2CCOC2)C1=O ZINC001124509129 779712196 /nfs/dbraw/zinc/71/21/96/779712196.db2.gz LYBZLVJQMVLHMN-VHSXEESVSA-N 0 3 255.318 -1.041 20 0 CAADHN CC(C)OCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124443935 779712234 /nfs/dbraw/zinc/71/22/34/779712234.db2.gz ACGSTKKMCVQFRR-QMMMGPOBSA-N 0 3 274.321 -1.299 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCOC1)C(=O)NC(N)=O ZINC001124514155 779712342 /nfs/dbraw/zinc/71/23/42/779712342.db2.gz GPTPQRCJPNQMJN-HTQZYQBOSA-N 0 3 272.305 -1.688 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCOC1)NC[C@H]1CCOC1 ZINC001124509136 779712465 /nfs/dbraw/zinc/71/24/65/779712465.db2.gz MBRXVBMECOGNBU-VXGBXAGGSA-N 0 3 299.371 -1.119 20 0 CAADHN COC(=O)[C@H]1C[C@@H]1C(=O)NCCNCC(=O)N(C)C ZINC001124661328 779713052 /nfs/dbraw/zinc/71/30/52/779713052.db2.gz DBWHGKHLQQFOPX-IUCAKERBSA-N 0 3 271.317 -1.411 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001124661577 779713247 /nfs/dbraw/zinc/71/32/47/779713247.db2.gz FEVXPAZKSXLPJB-YUMQZZPRSA-N 0 3 257.290 -1.753 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001124661209 779713252 /nfs/dbraw/zinc/71/32/52/779713252.db2.gz CINANMOIIKQTBA-IUCAKERBSA-N 0 3 271.317 -1.363 20 0 CAADHN Cn1cc(CC(=O)NCCN[C@H]2CCN(C)C2=O)cn1 ZINC001124626890 779713310 /nfs/dbraw/zinc/71/33/10/779713310.db2.gz RCVQBUTUIZSKGS-NSHDSACASA-N 0 3 279.344 -1.101 20 0 CAADHN CC[C@@H](OC)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124566967 779713507 /nfs/dbraw/zinc/71/35/07/779713507.db2.gz NDXHYKHXIJKDFE-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001124661575 779713752 /nfs/dbraw/zinc/71/37/52/779713752.db2.gz FEVXPAZKSXLPJB-JGVFFNPUSA-N 0 3 257.290 -1.753 20 0 CAADHN CC[C@@H](OC)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124566965 779713796 /nfs/dbraw/zinc/71/37/96/779713796.db2.gz NDXHYKHXIJKDFE-HTQZYQBOSA-N 0 3 274.321 -1.299 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C1=COCCC1 ZINC001124656409 779713913 /nfs/dbraw/zinc/71/39/13/779713913.db2.gz QEQBUBSVVLJIAI-UHFFFAOYSA-N 0 3 270.289 -1.419 20 0 CAADHN CC[C@H](OC)C(=O)NCCNCC(=O)N1CCOCC1 ZINC001124567004 779713953 /nfs/dbraw/zinc/71/39/53/779713953.db2.gz NXGNUMOOSVEGIQ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN Cn1cc(CC(=O)NCCNCC(=O)N2CCC2)cn1 ZINC001124608238 779713969 /nfs/dbraw/zinc/71/39/69/779713969.db2.gz UMXOWSBESZVRLL-UHFFFAOYSA-N 0 3 279.344 -1.099 20 0 CAADHN CO[C@@H](C)CC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001124606062 779713985 /nfs/dbraw/zinc/71/39/85/779713985.db2.gz AREDXXIQQHGRFF-JGVFFNPUSA-N 0 3 274.321 -1.299 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001124661210 779714138 /nfs/dbraw/zinc/71/41/38/779714138.db2.gz CINANMOIIKQTBA-RKDXNWHRSA-N 0 3 271.317 -1.363 20 0 CAADHN CCOCCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001124696156 779714688 /nfs/dbraw/zinc/71/46/88/779714688.db2.gz AOVUPTFVBGKBCO-VIFPVBQESA-N 0 3 271.317 -1.076 20 0 CAADHN CCOCCC(=O)NCCNCCNS(C)(=O)=O ZINC001124716250 779714865 /nfs/dbraw/zinc/71/48/65/779714865.db2.gz DYYJWCCLHIAMSC-UHFFFAOYSA-N 0 3 281.378 -1.332 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@@H]1CCCOC1 ZINC001124704357 779715068 /nfs/dbraw/zinc/71/50/68/779715068.db2.gz OZPMQVLNDJHVIZ-SNVBAGLBSA-N 0 3 293.389 -1.332 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)[C@H]1CCCOC1 ZINC001124704354 779715391 /nfs/dbraw/zinc/71/53/91/779715391.db2.gz OZPMQVLNDJHVIZ-JTQLQIEISA-N 0 3 293.389 -1.332 20 0 CAADHN CN(CCNCCNC(=O)c1cocn1)S(C)(=O)=O ZINC001124787951 779715779 /nfs/dbraw/zinc/71/57/79/779715779.db2.gz VRFZMQVQHPBYGG-UHFFFAOYSA-N 0 3 290.345 -1.115 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1cocn1 ZINC001124793062 779716102 /nfs/dbraw/zinc/71/61/02/779716102.db2.gz KVLMFSAJGJMIIO-ZETCQYMHSA-N 0 3 266.257 -1.201 20 0 CAADHN COC[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124759779 779716158 /nfs/dbraw/zinc/71/61/58/779716158.db2.gz JVVVCISSSKFRGO-YUMQZZPRSA-N 0 3 274.321 -1.442 20 0 CAADHN CCOCCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001124722981 779716171 /nfs/dbraw/zinc/71/61/71/779716171.db2.gz JLLXWQFRSMFDLB-QMMMGPOBSA-N 0 3 274.321 -1.298 20 0 CAADHN CCNC(=O)CCC(=O)NCCNCC(=O)N(C)C ZINC001124726929 779716430 /nfs/dbraw/zinc/71/64/30/779716430.db2.gz MIMYQCNIHLHREF-UHFFFAOYSA-N 0 3 272.349 -1.303 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H](C)COC ZINC001124752882 779716487 /nfs/dbraw/zinc/71/64/87/779716487.db2.gz CJJDGHZPYGFAHR-QMMMGPOBSA-N 0 3 274.321 -1.570 20 0 CAADHN CCNC(=O)CCC(=O)NCCN[C@H]1CCNC1=O ZINC001124726898 779716566 /nfs/dbraw/zinc/71/65/66/779716566.db2.gz LTFVYCCMYKUJMW-VIFPVBQESA-N 0 3 270.333 -1.503 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cocn1 ZINC001124798622 779716687 /nfs/dbraw/zinc/71/66/87/779716687.db2.gz LWCHYNJECHYIDB-SSDOTTSWSA-N 0 3 283.288 -1.162 20 0 CAADHN CCNC(=O)CCC(=O)NCCNCC(=O)NCC ZINC001124726610 779716758 /nfs/dbraw/zinc/71/67/58/779716758.db2.gz ICYPXFYSMXRLJB-UHFFFAOYSA-N 0 3 272.349 -1.255 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cscn1 ZINC001124736942 779716924 /nfs/dbraw/zinc/71/69/24/779716924.db2.gz IGEVAABPGUQYRK-UHFFFAOYSA-N 0 3 271.302 -1.343 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCC(=O)N1)N1CCCC1 ZINC001124804853 779717453 /nfs/dbraw/zinc/71/74/53/779717453.db2.gz MZQXETYNIAEJFU-SNVBAGLBSA-N 0 3 282.344 -1.407 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804786 779717516 /nfs/dbraw/zinc/71/75/16/779717516.db2.gz KLLFQBVLFHZSSK-MRVPVSSYSA-N 0 3 299.331 -2.184 20 0 CAADHN O=C(CNCCNC(=O)[C@H]1CCC(=O)N1)N1CCCCC1 ZINC001124804457 779717650 /nfs/dbraw/zinc/71/76/50/779717650.db2.gz AENPGNULQYTIPJ-LLVKDONJSA-N 0 3 296.371 -1.017 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804775 779717827 /nfs/dbraw/zinc/71/78/27/779717827.db2.gz KAEDETFBPVYMGK-MRVPVSSYSA-N 0 3 256.306 -1.941 20 0 CAADHN CCN(C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001124804835 779717759 /nfs/dbraw/zinc/71/77/59/779717759.db2.gz MMSRUFITDGRZNP-LLVKDONJSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124814501 779717778 /nfs/dbraw/zinc/71/77/78/779717778.db2.gz JJSHWBJBGXCWAD-JGVFFNPUSA-N 0 3 256.306 -1.895 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cnc(C)[nH]1 ZINC001124842266 779717869 /nfs/dbraw/zinc/71/78/69/779717869.db2.gz DCWAGVITIIALGA-ZETCQYMHSA-N 0 3 296.331 -1.118 20 0 CAADHN CSC[C@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001124830418 779717903 /nfs/dbraw/zinc/71/79/03/779717903.db2.gz CCPZJVQRDVELCQ-ZETCQYMHSA-N 0 3 276.362 -1.114 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)c1cnc(C)[nH]1 ZINC001124842264 779717946 /nfs/dbraw/zinc/71/79/46/779717946.db2.gz DCWAGVITIIALGA-SSDOTTSWSA-N 0 3 296.331 -1.118 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804863 779718306 /nfs/dbraw/zinc/71/83/06/779718306.db2.gz NNLQACRMSGDNGO-SNVBAGLBSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H]1CCC(=O)N1 ZINC001124804916 779718511 /nfs/dbraw/zinc/71/85/11/779718511.db2.gz PNGRGPFETHGLLB-JGVFFNPUSA-N 0 3 299.331 -2.185 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)COCCOC)C1=O ZINC001124925997 779719578 /nfs/dbraw/zinc/71/95/78/779719578.db2.gz NVLJOYMGTZTNMM-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN CN1CCC[C@@H]1C(=O)NCCNCCS(C)(=O)=O ZINC001124872476 779719645 /nfs/dbraw/zinc/71/96/45/779719645.db2.gz HHMZZQJNYVCDNG-SNVBAGLBSA-N 0 3 277.390 -1.169 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@@H](CC)C(N)=O ZINC001124861876 779719741 /nfs/dbraw/zinc/71/97/41/779719741.db2.gz WBCWQVPWQSJUJO-QMMMGPOBSA-N 0 3 258.322 -1.518 20 0 CAADHN CCC(=O)NCC(=O)NCCN[C@H](CC)C(N)=O ZINC001124861875 779720108 /nfs/dbraw/zinc/72/01/08/779720108.db2.gz WBCWQVPWQSJUJO-MRVPVSSYSA-N 0 3 258.322 -1.518 20 0 CAADHN CCn1cc(C(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001125011323 779720756 /nfs/dbraw/zinc/72/07/56/779720756.db2.gz SZSQNUKKGOCYKG-UHFFFAOYSA-N 0 3 282.304 -1.583 20 0 CAADHN CCn1cc(C(=O)NCCNCC(=O)NC(=O)NC)cn1 ZINC001125011567 779720767 /nfs/dbraw/zinc/72/07/67/779720767.db2.gz WLLWDEDATHGYJO-UHFFFAOYSA-N 0 3 296.331 -1.322 20 0 CAADHN CN1CC[C@H](NCCNC(=O)c2nccnc2N)C1=O ZINC001125034943 779720822 /nfs/dbraw/zinc/72/08/22/779720822.db2.gz ZFEAZHMVSCFQKG-QMMMGPOBSA-N 0 3 278.316 -1.391 20 0 CAADHN NC(=O)CC(=O)NCCNCc1ccc(C(N)=O)cc1 ZINC001125079597 779720958 /nfs/dbraw/zinc/72/09/58/779720958.db2.gz AYTRKLZYMQXOIP-UHFFFAOYSA-N 0 3 278.312 -1.133 20 0 CAADHN CC(C)(C)C(=O)C(=O)NCCNCC(=O)NC(N)=O ZINC001124966889 779720980 /nfs/dbraw/zinc/72/09/80/779720980.db2.gz BVQRVNIECIGLGY-UHFFFAOYSA-N 0 3 272.305 -1.498 20 0 CAADHN Cc1[nH]nc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)c1C ZINC001125044435 779721019 /nfs/dbraw/zinc/72/10/19/779721019.db2.gz CDKOZKKHIVHLKB-MRVPVSSYSA-N 0 3 296.331 -1.071 20 0 CAADHN CCn1cc(C(=O)NCCNCC(=O)NC)cn1 ZINC001125010565 779721044 /nfs/dbraw/zinc/72/10/44/779721044.db2.gz GJUBPOQFRWFGBX-UHFFFAOYSA-N 0 3 253.306 -1.032 20 0 CAADHN C[C@@H](NCCNC(=O)CC(N)=O)C(=O)NC(C)(C)C ZINC001125090155 779721156 /nfs/dbraw/zinc/72/11/56/779721156.db2.gz CXCHJIVATYNMMQ-MRVPVSSYSA-N 0 3 272.349 -1.129 20 0 CAADHN CC[C@@H](NCCNC(=O)c1nccnc1N)C(N)=O ZINC001125034033 779721236 /nfs/dbraw/zinc/72/12/36/779721236.db2.gz LKWDOXRZGNTLMM-SSDOTTSWSA-N 0 3 266.305 -1.358 20 0 CAADHN CC[C@H](NCCNC(=O)c1nccnc1N)C(N)=O ZINC001125034034 779721279 /nfs/dbraw/zinc/72/12/79/779721279.db2.gz LKWDOXRZGNTLMM-ZETCQYMHSA-N 0 3 266.305 -1.358 20 0 CAADHN C[C@H](NCCNC(=O)c1nccnc1N)C(N)=O ZINC001125028912 779721380 /nfs/dbraw/zinc/72/13/80/779721380.db2.gz AKTNQMAKCZRAEK-LURJTMIESA-N 0 3 252.278 -1.748 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)c2nccnc2N)C1=O ZINC001125034769 779721421 /nfs/dbraw/zinc/72/14/21/779721421.db2.gz VMSFLTDBPQBKIG-VIFPVBQESA-N 0 3 292.343 -1.001 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1nccnc1N ZINC001125034283 779721582 /nfs/dbraw/zinc/72/15/82/779721582.db2.gz NDIYKTCHFBPXDI-SSDOTTSWSA-N 0 3 266.305 -1.487 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCOC1)C(=O)NC(N)=O ZINC001125128971 779722054 /nfs/dbraw/zinc/72/20/54/779722054.db2.gz IDDZJHNJCJTFBE-IUCAKERBSA-N 0 3 286.332 -1.298 20 0 CAADHN COCCCNC(=O)[C@H](C)NCCNC(=O)CC(N)=O ZINC001125095064 779722031 /nfs/dbraw/zinc/72/20/31/779722031.db2.gz KTNZFLRLUCVCPQ-VIFPVBQESA-N 0 3 288.348 -1.891 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)Cc1cc[nH]n1 ZINC001125141551 779722098 /nfs/dbraw/zinc/72/20/98/779722098.db2.gz RMFWETVQRIVYRM-UHFFFAOYSA-N 0 3 296.331 -1.496 20 0 CAADHN CC[C@@H](NCCNC(=O)Cc1cc[nH]n1)C(N)=O ZINC001125157668 779722417 /nfs/dbraw/zinc/72/24/17/779722417.db2.gz CTGINBUZWLNJRF-SECBINFHSA-N 0 3 253.306 -1.078 20 0 CAADHN C[C@H](NCCNC(=O)Cc1cc[nH]n1)C(=O)NC(N)=O ZINC001125164113 779722446 /nfs/dbraw/zinc/72/24/46/779722446.db2.gz DFALMRFILKYWGR-ZETCQYMHSA-N 0 3 282.304 -1.759 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)C[C@@H]1CCOC1 ZINC001125129202 779722666 /nfs/dbraw/zinc/72/26/66/779722666.db2.gz NMGGXYRUTCKSGG-JTQLQIEISA-N 0 3 293.389 -1.332 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@@H]1CCOC1)C(=O)NC(N)=O ZINC001125128969 779722707 /nfs/dbraw/zinc/72/27/07/779722707.db2.gz IDDZJHNJCJTFBE-BDAKNGLRSA-N 0 3 286.332 -1.298 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCNCCS(C)(=O)=O)C1 ZINC001125214429 779723468 /nfs/dbraw/zinc/72/34/68/779723468.db2.gz SZJJBBBZGOJWJA-SNVBAGLBSA-N 0 3 293.389 -1.933 20 0 CAADHN CCCNC(=O)CNCCNC(=O)[C@H]1CN(C)CCO1 ZINC001125220226 779723857 /nfs/dbraw/zinc/72/38/57/779723857.db2.gz GAEKEHUSPMYIKY-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN CN1CCO[C@@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001125203952 779724199 /nfs/dbraw/zinc/72/41/99/779724199.db2.gz VWMRXPFERQJAED-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@H]1CN(C)CCO1 ZINC001125213294 779724396 /nfs/dbraw/zinc/72/43/96/779724396.db2.gz DCLZWEONMKTQES-LLVKDONJSA-N 0 3 286.376 -1.453 20 0 CAADHN CN1CCO[C@H](C(=O)NCCNCC(=O)N2CCCC2)C1 ZINC001125203953 779724476 /nfs/dbraw/zinc/72/44/76/779724476.db2.gz VWMRXPFERQJAED-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN Cc1c(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)nnn1C ZINC001125175268 779724522 /nfs/dbraw/zinc/72/45/22/779724522.db2.gz QGXLPZBUHGQQAU-MRVPVSSYSA-N 0 3 294.315 -1.752 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CN(C)CCO1)C(=O)NC1CC1 ZINC001125203346 779724638 /nfs/dbraw/zinc/72/46/38/779724638.db2.gz MACHDUIEXBCQFX-PWSUYJOCSA-N 0 3 298.387 -1.310 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125213295 779724696 /nfs/dbraw/zinc/72/46/96/779724696.db2.gz DCLZWEONMKTQES-NSHDSACASA-N 0 3 286.376 -1.453 20 0 CAADHN Cn1cncc1CNCCNC(=O)[C@@H]1CN(C)CCO1 ZINC001125214383 779724836 /nfs/dbraw/zinc/72/48/36/779724836.db2.gz SAEDAHHVFQJARA-LBPRGKRZSA-N 0 3 281.360 -1.044 20 0 CAADHN CC[C@H](NCCNC(=O)c1nnn(C)c1C)C(N)=O ZINC001125184251 779724910 /nfs/dbraw/zinc/72/49/10/779724910.db2.gz DNEQYDZSROHQPT-QMMMGPOBSA-N 0 3 268.321 -1.293 20 0 CAADHN NC(=O)NCCC[C@H](N)C(=O)N1CCC(O)CC1 ZINC001161176484 779726515 /nfs/dbraw/zinc/72/65/15/779726515.db2.gz PZWCAMQIBLQDCT-VIFPVBQESA-N 0 3 258.322 -1.255 20 0 CAADHN O=C(C[C@@H]1NC(=O)NC1=O)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001140115654 779736957 /nfs/dbraw/zinc/73/69/57/779736957.db2.gz BKEDSZCECKWMSV-AEJSXWLSSA-N 0 3 296.327 -1.748 20 0 CAADHN O=C(CN1CCCC1=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149160556 779737630 /nfs/dbraw/zinc/73/76/30/779737630.db2.gz WHTYEXOICPHFLH-LBPRGKRZSA-N 0 3 299.371 -1.192 20 0 CAADHN O=C(CN1CCCC1=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149160554 779738208 /nfs/dbraw/zinc/73/82/08/779738208.db2.gz WHTYEXOICPHFLH-GFCCVEGCSA-N 0 3 299.371 -1.192 20 0 CAADHN O=C(Cn1cnnn1)NC[C@H]1CN(CCO)CCCO1 ZINC001149160748 779739181 /nfs/dbraw/zinc/73/91/81/779739181.db2.gz ZQWXHTRBXHPHNJ-JTQLQIEISA-N 0 3 284.320 -2.128 20 0 CAADHN COCCNC(=O)CNC[C@@H](O)Cn1cccn1 ZINC000228704678 779743185 /nfs/dbraw/zinc/74/31/85/779743185.db2.gz SXJSKGKEGJJCPK-SNVBAGLBSA-N 0 3 256.306 -1.404 20 0 CAADHN CN1CCC(CO)(NC(=O)Cn2cncn2)CC1 ZINC001142133291 779752528 /nfs/dbraw/zinc/75/25/28/779752528.db2.gz QBHNAUUMQFHJAN-UHFFFAOYSA-N 0 3 253.306 -1.149 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)Cn1cnnn1 ZINC001142137384 779753273 /nfs/dbraw/zinc/75/32/73/779753273.db2.gz KEWWZCFXRBUBSW-VIFPVBQESA-N 0 3 254.294 -1.538 20 0 CAADHN CC(C)N(C)CC(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001142590994 779760997 /nfs/dbraw/zinc/76/09/97/779760997.db2.gz XHULFJIYEMCVJK-DCAQKATOSA-N 0 3 256.354 -2.154 20 0 CAADHN CC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCOC[C@H]1CN(C)C ZINC001143031850 779765933 /nfs/dbraw/zinc/76/59/33/779765933.db2.gz XCPKFYNNEOUJEC-UPJWGTAASA-N 0 3 299.371 -1.243 20 0 CAADHN CN1CCN(CCC(=O)N2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC001143225136 779769394 /nfs/dbraw/zinc/76/93/94/779769394.db2.gz QVWWOMQNGPZBMB-CHWSQXEVSA-N 0 3 285.388 -1.174 20 0 CAADHN CN1CCN(CCC(=O)NC2(CCO)COC2)CC1 ZINC001143236776 779769571 /nfs/dbraw/zinc/76/95/71/779769571.db2.gz VCOFAONDVIKKFN-UHFFFAOYSA-N 0 3 271.361 -1.109 20 0 CAADHN CN1CCN(CCC(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)CC1 ZINC001143238535 779769613 /nfs/dbraw/zinc/76/96/13/779769613.db2.gz ZBVLNIUOQWJGOV-RWMBFGLXSA-N 0 3 297.407 -2.857 20 0 CAADHN CN1CCN(CCC(=O)NC[C@H]2CNC(=O)O2)CC1 ZINC001143238363 779769916 /nfs/dbraw/zinc/76/99/16/779769916.db2.gz PXXFGZIETJIXPK-JTQLQIEISA-N 0 3 270.333 -1.152 20 0 CAADHN CN1CCN(CCC(=O)N2CCN(C(N)=O)CC2)CC1 ZINC001143230083 779769936 /nfs/dbraw/zinc/76/99/36/779769936.db2.gz CWASAIGIHVFDJP-UHFFFAOYSA-N 0 3 283.376 -1.153 20 0 CAADHN CN1CCN(CCC(=O)N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001143236620 779770047 /nfs/dbraw/zinc/77/00/47/779770047.db2.gz NXKQQKVAQFUVBH-SNVBAGLBSA-N 0 3 282.344 -1.455 20 0 CAADHN CN1CCN(CCC(=O)N2CC[C@@H](C(N)=O)C2)CC1 ZINC001143230730 779770283 /nfs/dbraw/zinc/77/02/83/779770283.db2.gz LMLGUTFZXWOHIN-LLVKDONJSA-N 0 3 268.361 -1.042 20 0 CAADHN CN1CCN(CCC(=O)N2CC[C@H](CO)[C@H](O)C2)CC1 ZINC001143225057 779770344 /nfs/dbraw/zinc/77/03/44/779770344.db2.gz NIJMMSADSBGJSB-CHWSQXEVSA-N 0 3 285.388 -1.174 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@H]1CNC(=O)C1 ZINC001143293003 779772348 /nfs/dbraw/zinc/77/23/48/779772348.db2.gz QLIZRXYGFKNKSE-NXEZZACHSA-N 0 3 255.318 -1.089 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)[C@H]1CNC(=O)C1 ZINC001143293006 779772524 /nfs/dbraw/zinc/77/25/24/779772524.db2.gz QLIZRXYGFKNKSE-ZJUUUORDSA-N 0 3 255.318 -1.089 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)[C@@H]1CNC(=O)C1 ZINC001143293004 779772562 /nfs/dbraw/zinc/77/25/62/779772562.db2.gz QLIZRXYGFKNKSE-UWVGGRQHSA-N 0 3 255.318 -1.089 20 0 CAADHN CCOCCO[C@H](C)C(=O)NCCNCC(=O)NC ZINC001152196145 779820456 /nfs/dbraw/zinc/82/04/56/779820456.db2.gz QIMHHEDGARRCJT-SNVBAGLBSA-N 0 3 275.349 -1.120 20 0 CAADHN O=C(CNC(=O)C1CC1)NC[C@H]1CN(CCO)CCCO1 ZINC001149257103 779774413 /nfs/dbraw/zinc/77/44/13/779774413.db2.gz XMJHZYQSXOKBFT-LBPRGKRZSA-N 0 3 299.371 -1.288 20 0 CAADHN CC(=O)N(C)CCCC(=O)NCCN[C@H]1CCNC1=O ZINC001149268552 779774864 /nfs/dbraw/zinc/77/48/64/779774864.db2.gz HJSZLZVFXNNQKA-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCN(C(C)=O)C1 ZINC001149312072 779775040 /nfs/dbraw/zinc/77/50/40/779775040.db2.gz GQAMFXRYJVCOBO-SNVBAGLBSA-N 0 3 270.333 -1.693 20 0 CAADHN COc1c(C(=O)NCCN[C@@H]2CCNC2=O)cnn1C ZINC001149201773 779775189 /nfs/dbraw/zinc/77/51/89/779775189.db2.gz DBHNKICKYJOECD-SECBINFHSA-N 0 3 281.316 -1.363 20 0 CAADHN COCCOCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149423825 779776087 /nfs/dbraw/zinc/77/60/87/779776087.db2.gz CTZKIIPNRZDYMD-GFCCVEGCSA-N 0 3 290.360 -1.151 20 0 CAADHN COCCn1cc(C(=O)NCCN[C@@H](C)C(N)=O)cn1 ZINC001149338751 779776176 /nfs/dbraw/zinc/77/61/76/779776176.db2.gz JOPPSEXFMLPLDH-VIFPVBQESA-N 0 3 283.332 -1.277 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@H]1CCN(C(C)=O)C1)C(N)=O ZINC001149325124 779776293 /nfs/dbraw/zinc/77/62/93/779776293.db2.gz KYLOXMAJXQUDKK-WDEREUQCSA-N 0 3 284.360 -1.176 20 0 CAADHN COCCn1cc(C(=O)NCCNCC(=O)N(C)C)cn1 ZINC001149339273 779776469 /nfs/dbraw/zinc/77/64/69/779776469.db2.gz UKPLDLOXIMUADW-UHFFFAOYSA-N 0 3 297.359 -1.063 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1cnn(CCOC)c1 ZINC001149338647 779776644 /nfs/dbraw/zinc/77/66/44/779776644.db2.gz DSRSVSBZXSUYDI-UHFFFAOYSA-N 0 3 297.359 -1.015 20 0 CAADHN CNC(=O)CNCCNC(=O)CS(=O)(=O)N(C)C ZINC001149427470 779776762 /nfs/dbraw/zinc/77/67/62/779776762.db2.gz NXTBDZNKQJETFD-UHFFFAOYSA-N 0 3 280.350 -2.670 20 0 CAADHN CC(=O)N1CC[C@@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001149318689 779776891 /nfs/dbraw/zinc/77/68/91/779776891.db2.gz XTFUKFHJNZDEQW-PSASIEDQSA-N 0 3 270.333 -1.566 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCCC(=O)N1C)C(N)=O ZINC001149463787 779778647 /nfs/dbraw/zinc/77/86/47/779778647.db2.gz GNCXJQZABGAAII-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCCC(=O)N1C)C(N)=O ZINC001149470271 779778768 /nfs/dbraw/zinc/77/87/68/779778768.db2.gz XGMQHBZTBKTXAE-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCCC(=O)N1C)C(N)=O ZINC001149463785 779778903 /nfs/dbraw/zinc/77/89/03/779778903.db2.gz GNCXJQZABGAAII-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CN1C(=O)CCC[C@@H]1C(=O)NCCNCC(N)=O ZINC001149456031 779779177 /nfs/dbraw/zinc/77/91/77/779779177.db2.gz WICSSEKFMITIPV-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN O=C(CN1CN=NC1=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149565992 779779534 /nfs/dbraw/zinc/77/95/34/779779534.db2.gz IZVBNWRXUSBNBK-SNVBAGLBSA-N 0 3 299.331 -1.817 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149573201 779779765 /nfs/dbraw/zinc/77/97/65/779779765.db2.gz IUGZUJNIWIWEGV-NSHDSACASA-N 0 3 287.360 -1.288 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CN(C(C)=O)CCO1 ZINC001149529896 779779878 /nfs/dbraw/zinc/77/98/78/779779878.db2.gz CKWSUZHBZQVCLC-SNVBAGLBSA-N 0 3 286.332 -2.315 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001149531448 779779939 /nfs/dbraw/zinc/77/99/39/779779939.db2.gz ZRACCCYJXOJKGR-PSASIEDQSA-N 0 3 286.332 -2.187 20 0 CAADHN CC(=O)N1CCO[C@@H](C(=O)NCCNCC(N)=O)C1 ZINC001149531086 779779983 /nfs/dbraw/zinc/77/99/83/779779983.db2.gz RUTDNBMKPSGQLV-SECBINFHSA-N 0 3 272.305 -2.575 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149571266 779780006 /nfs/dbraw/zinc/78/00/06/779780006.db2.gz WKBZMUDVLHAPEO-UHFFFAOYSA-N 0 3 284.320 -2.658 20 0 CAADHN CCNC(=O)CC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149573200 779780386 /nfs/dbraw/zinc/78/03/86/779780386.db2.gz IUGZUJNIWIWEGV-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN Cn1cncc1CCC(=O)NCCN[C@H]1CCNC1=O ZINC001149558350 779780420 /nfs/dbraw/zinc/78/04/20/779780420.db2.gz IDNRHCHLDJXDFL-NSHDSACASA-N 0 3 279.344 -1.053 20 0 CAADHN CNC(=O)CC(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001149598988 779781247 /nfs/dbraw/zinc/78/12/47/779781247.db2.gz CIYMVHRDPHXQSY-LLVKDONJSA-N 0 3 287.360 -1.288 20 0 CAADHN CNC(=O)CC(=O)NC[C@H]1CN(CCOC)CCCO1 ZINC001149599551 779781440 /nfs/dbraw/zinc/78/14/40/779781440.db2.gz IVDXMFYHNGGBCA-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN CNC(=O)CC(=O)NC[C@H]1CN(C[C@H](C)O)CCCO1 ZINC001149599604 779781527 /nfs/dbraw/zinc/78/15/27/779781527.db2.gz JOIIGSGXQMPMLJ-QWRGUYRKSA-N 0 3 287.360 -1.290 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001149622488 779781606 /nfs/dbraw/zinc/78/16/06/779781606.db2.gz AJVAYTXOBVPHOK-VHSXEESVSA-N 0 3 288.348 -1.757 20 0 CAADHN CNC(=O)CC(=O)NC[C@H]1CN(C[C@@H](C)O)CCCO1 ZINC001149599603 779781855 /nfs/dbraw/zinc/78/18/55/779781855.db2.gz JOIIGSGXQMPMLJ-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1nc(C)n(C)c1=O ZINC001149577261 779781965 /nfs/dbraw/zinc/78/19/65/779781965.db2.gz XNBPCAUMMBLHCR-QMMMGPOBSA-N 0 3 298.347 -2.269 20 0 CAADHN COCCN1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149738675 779782611 /nfs/dbraw/zinc/78/26/11/779782611.db2.gz HDDWHLUHHKIRDA-LLVKDONJSA-N 0 3 298.347 -1.473 20 0 CAADHN CCN1CCCO[C@H](CNC(=O)Cn2ncnn2)C1 ZINC001149739380 779782664 /nfs/dbraw/zinc/78/26/64/779782664.db2.gz LJKQESZPBUKTDV-SNVBAGLBSA-N 0 3 268.321 -1.100 20 0 CAADHN O=C(Cn1ncnn1)NC[C@H]1CN(CCO)CCCO1 ZINC001149737975 779782745 /nfs/dbraw/zinc/78/27/45/779782745.db2.gz BYQXXTDHOFSUEB-JTQLQIEISA-N 0 3 284.320 -2.128 20 0 CAADHN C[C@@H](O)CN1CCCO[C@@H](CNC(=O)Cn2ncnn2)C1 ZINC001149737978 779783158 /nfs/dbraw/zinc/78/31/58/779783158.db2.gz CNEBCNVFKYLMJE-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN Cc1ccnc2nc(C(=O)NCCNCC(N)=O)nn21 ZINC001149865891 779783246 /nfs/dbraw/zinc/78/32/46/779783246.db2.gz RPCVGCUYNUELIO-UHFFFAOYSA-N 0 3 277.288 -1.763 20 0 CAADHN Cc1ccc(C(=O)NCC(=O)NCCNCC(N)=O)s1 ZINC001149791857 779783298 /nfs/dbraw/zinc/78/32/98/779783298.db2.gz GHHHTTYWTGMJDP-UHFFFAOYSA-N 0 3 298.368 -1.023 20 0 CAADHN CC[C@@H](NCCNC(=O)CNC(=O)c1ccco1)C(N)=O ZINC001149884038 779783307 /nfs/dbraw/zinc/78/33/07/779783307.db2.gz JLDZVPCVZUECBA-SECBINFHSA-N 0 3 296.327 -1.021 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)c1cccc(F)c1 ZINC001149874838 779783354 /nfs/dbraw/zinc/78/33/54/779783354.db2.gz KEHACLAYQCVYCL-UHFFFAOYSA-N 0 3 296.302 -1.253 20 0 CAADHN O=C(C[C@@H]1CCNC1=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149855262 779783480 /nfs/dbraw/zinc/78/34/80/779783480.db2.gz WZVULTKVBLVWJB-RYUDHWBXSA-N 0 3 299.371 -1.288 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)c1ccco1)C(N)=O ZINC001149884863 779783546 /nfs/dbraw/zinc/78/35/46/779783546.db2.gz QHPDLIVNTIILFD-QMMMGPOBSA-N 0 3 282.300 -1.411 20 0 CAADHN CNC(=O)CNCCNC(=O)c1nc2nccc(C)n2n1 ZINC001149858959 779783584 /nfs/dbraw/zinc/78/35/84/779783584.db2.gz KFTQTCQOUBZVJO-UHFFFAOYSA-N 0 3 291.315 -1.502 20 0 CAADHN CCN1CCCO[C@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001149921867 779784686 /nfs/dbraw/zinc/78/46/86/779784686.db2.gz TVAPMDWNMAQDPS-LLVKDONJSA-N 0 3 297.359 -1.191 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H]2CN(CCO)CCCO2)CNC(=O)C1 ZINC001150023928 779784904 /nfs/dbraw/zinc/78/49/04/779784904.db2.gz ZSHVYGDTLCVMNL-RISCZKNCSA-N 0 3 299.371 -1.288 20 0 CAADHN CCN1CCCO[C@@H](CNC(=O)Cn2ncn(C)c2=O)C1 ZINC001149921870 779784924 /nfs/dbraw/zinc/78/49/24/779784924.db2.gz TVAPMDWNMAQDPS-NSHDSACASA-N 0 3 297.359 -1.191 20 0 CAADHN C[C@H](NC(=O)c1ccccc1)C(=O)NCCNCC(N)=O ZINC001150057899 779785155 /nfs/dbraw/zinc/78/51/55/779785155.db2.gz OCLXGVXKRMPVQG-JTQLQIEISA-N 0 3 292.339 -1.004 20 0 CAADHN C[C@H](CC(N)=O)C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150079612 779785788 /nfs/dbraw/zinc/78/57/88/779785788.db2.gz UGMCMUHBGVYFNC-MNOVXSKESA-N 0 3 287.360 -1.303 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150079616 779786175 /nfs/dbraw/zinc/78/61/75/779786175.db2.gz UGMCMUHBGVYFNC-QWRGUYRKSA-N 0 3 287.360 -1.303 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1ccc(=O)n(C)n1 ZINC001150129960 779787092 /nfs/dbraw/zinc/78/70/92/779787092.db2.gz HGVWHLWIIXXVHD-UHFFFAOYSA-N 0 3 295.343 -1.374 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1ccc(=O)n(C)n1 ZINC001150142723 779787117 /nfs/dbraw/zinc/78/71/17/779787117.db2.gz ZIRJHGVTUOHDOZ-UHFFFAOYSA-N 0 3 295.343 -1.422 20 0 CAADHN NC(=O)C1(C(=O)NC[C@H]2CN(CCCO)CCCO2)CC1 ZINC001150201752 779787298 /nfs/dbraw/zinc/78/72/98/779787298.db2.gz ARNKKDDEXCIKOB-NSHDSACASA-N 0 3 299.371 -1.159 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(=O)n(C)n1)C(=O)N(C)C ZINC001150130603 779787438 /nfs/dbraw/zinc/78/74/38/779787438.db2.gz UPHUKPKRDXBREG-VIFPVBQESA-N 0 3 295.343 -1.424 20 0 CAADHN NC(=O)C(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001150220266 779788244 /nfs/dbraw/zinc/78/82/44/779788244.db2.gz UOHDZOBDCRSWLZ-SECBINFHSA-N 0 3 259.306 -1.939 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150243928 779788389 /nfs/dbraw/zinc/78/83/89/779788389.db2.gz OFPONPIUZVOUTA-UHFFFAOYSA-N 0 3 282.348 -1.244 20 0 CAADHN CC[C@H](NCCNC(=O)Cn1cncn1)C(N)=O ZINC001150243707 779788413 /nfs/dbraw/zinc/78/84/13/779788413.db2.gz JUCVNELOANRHMY-QMMMGPOBSA-N 0 3 254.294 -1.752 20 0 CAADHN C[C@@H](O)CN1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150219630 779788432 /nfs/dbraw/zinc/78/84/32/779788432.db2.gz PQRDOSODJATIMY-BDAKNGLRSA-N 0 3 259.306 -1.940 20 0 CAADHN O=C(CNCCNC(=O)Cn1cncn1)NCC1CCC1 ZINC001150249859 779788520 /nfs/dbraw/zinc/78/85/20/779788520.db2.gz HKUYBAMVLJBLAL-UHFFFAOYSA-N 0 3 294.359 -1.100 20 0 CAADHN CCN1CC[C@@H](NCCNC(=O)Cn2cncn2)C1=O ZINC001150243515 779788588 /nfs/dbraw/zinc/78/85/88/779788588.db2.gz ARKLVSBNQFHOQR-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN NC(=O)C(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001150220267 779788738 /nfs/dbraw/zinc/78/87/38/779788738.db2.gz UOHDZOBDCRSWLZ-VIFPVBQESA-N 0 3 259.306 -1.939 20 0 CAADHN COC[C@@H](C)N1CCCO[C@@H](CNC(=O)C(N)=O)C1 ZINC001150234376 779789129 /nfs/dbraw/zinc/78/91/29/779789129.db2.gz SEAMVEQREUOINX-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN C[C@H](O)CN1CCCO[C@H](CNC(=O)C(N)=O)C1 ZINC001150219631 779789177 /nfs/dbraw/zinc/78/91/77/779789177.db2.gz PQRDOSODJATIMY-DTWKUNHWSA-N 0 3 259.306 -1.940 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1cncn1)C(=O)N(C)C ZINC001150243570 779789296 /nfs/dbraw/zinc/78/92/96/779789296.db2.gz DISUNNMNLOGCML-SECBINFHSA-N 0 3 268.321 -1.539 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cn1cncn1 ZINC001150243580 779789238 /nfs/dbraw/zinc/78/92/38/779789238.db2.gz DRCDMHDNYNDNPC-MRVPVSSYSA-N 0 3 254.294 -1.882 20 0 CAADHN CN1CC[C@H](NCCNC(=O)Cn2cncn2)C1=O ZINC001150249847 779789319 /nfs/dbraw/zinc/78/93/19/779789319.db2.gz GTJGQWFMKCEUIS-VIFPVBQESA-N 0 3 266.305 -1.785 20 0 CAADHN C[C@H](O)CN1CCCO[C@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150254088 779789631 /nfs/dbraw/zinc/78/96/31/779789631.db2.gz KHCOPJDCUMQIRU-WDEREUQCSA-N 0 3 299.371 -1.160 20 0 CAADHN Cc1nc(CC(=O)NCCNCC(=O)NC(N)=O)cs1 ZINC001150279447 779789764 /nfs/dbraw/zinc/78/97/64/779789764.db2.gz OWZDMMGNUBJEQX-UHFFFAOYSA-N 0 3 299.356 -1.105 20 0 CAADHN C[C@H](NC(=O)CNCCNC(=O)Cn1cncn1)C1CC1 ZINC001150250321 779789781 /nfs/dbraw/zinc/78/97/81/779789781.db2.gz RQPOZGJVKZIISP-JTQLQIEISA-N 0 3 294.359 -1.101 20 0 CAADHN C[C@@]1(C(=O)NC[C@H]2CN(CCO)CCCO2)CCC(=O)N1 ZINC001150277217 779790030 /nfs/dbraw/zinc/79/00/30/779790030.db2.gz QAOPNQAXJOGTHZ-FZMZJTMJSA-N 0 3 299.371 -1.146 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150262273 779790107 /nfs/dbraw/zinc/79/01/07/779790107.db2.gz WVXIMIWPZCFCGM-UHFFFAOYSA-N 0 3 268.321 -1.492 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)Cn2cncn2)C1=O ZINC001150260872 779790150 /nfs/dbraw/zinc/79/01/50/779790150.db2.gz IFAKPBOPYFVCKL-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN COC[C@@H](OC)C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150283265 779790186 /nfs/dbraw/zinc/79/01/86/779790186.db2.gz SQMDFPJDRWJKTR-NWDGAFQWSA-N 0 3 290.360 -1.153 20 0 CAADHN O=C(CNCCNC(=O)Cn1cncn1)NCC1CC1 ZINC001150261959 779790223 /nfs/dbraw/zinc/79/02/23/779790223.db2.gz QLALTWGHFCQQSG-UHFFFAOYSA-N 0 3 280.332 -1.490 20 0 CAADHN C[C@@H](O)CN1CCCO[C@@H](CNC(=O)C2(C(N)=O)CC2)C1 ZINC001150254086 779790295 /nfs/dbraw/zinc/79/02/95/779790295.db2.gz KHCOPJDCUMQIRU-MNOVXSKESA-N 0 3 299.371 -1.160 20 0 CAADHN C[C@@H](NC(=O)CNCCNC(=O)Cn1cncn1)C1CC1 ZINC001150250322 779790547 /nfs/dbraw/zinc/79/05/47/779790547.db2.gz RQPOZGJVKZIISP-SNVBAGLBSA-N 0 3 294.359 -1.101 20 0 CAADHN C[C@@]1(C(=O)NC[C@@H]2CN(CCO)CCCO2)CCC(=O)N1 ZINC001150277220 779790639 /nfs/dbraw/zinc/79/06/39/779790639.db2.gz QAOPNQAXJOGTHZ-RISCZKNCSA-N 0 3 299.371 -1.146 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)Cn2cncn2)C1=O ZINC001150250429 779790691 /nfs/dbraw/zinc/79/06/91/779790691.db2.gz WEDULLHYVKLDIE-NSHDSACASA-N 0 3 294.359 -1.007 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001150331898 779791237 /nfs/dbraw/zinc/79/12/37/779791237.db2.gz NQPUSFWWJQDRSK-UHFFFAOYSA-N 0 3 299.331 -2.278 20 0 CAADHN O=C(CN1C(=O)CNC1=O)NCCNCC(=O)N1CCC1 ZINC001150344718 779791379 /nfs/dbraw/zinc/79/13/79/779791379.db2.gz JNESJFFKAGCRBC-UHFFFAOYSA-N 0 3 297.315 -2.524 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1C(=O)CNC1=O ZINC001150330489 779791511 /nfs/dbraw/zinc/79/15/11/779791511.db2.gz AKYKWQSIHXXTFS-UHFFFAOYSA-N 0 3 285.304 -2.668 20 0 CAADHN Cn1nccc1CNCCNC(=O)CN1C(=O)CNC1=O ZINC001150345571 779791768 /nfs/dbraw/zinc/79/17/68/779791768.db2.gz WWNZAJQTOIEJHO-UHFFFAOYSA-N 0 3 294.315 -1.822 20 0 CAADHN CC[C@@H](F)CNCCNC(=O)CN1C(=O)CNC1=O ZINC001150331655 779792079 /nfs/dbraw/zinc/79/20/79/779792079.db2.gz MDOSGJDKVDKGPL-MRVPVSSYSA-N 0 3 274.296 -1.008 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CN1C(=O)CNC1=O ZINC001150339255 779792176 /nfs/dbraw/zinc/79/21/76/779792176.db2.gz LSDTZKXDLNHBLH-UHFFFAOYSA-N 0 3 299.331 -2.230 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150400842 779792644 /nfs/dbraw/zinc/79/26/44/779792644.db2.gz SLBADVIWGAJNPQ-SFYZADRCSA-N 0 3 299.331 -2.185 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001150401098 779792789 /nfs/dbraw/zinc/79/27/89/779792789.db2.gz UARRDFFSDXWQLY-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN C[C@H](NCCNC(=O)CC[C@@H]1NC(=O)NC1=O)C(N)=O ZINC001150401171 779792794 /nfs/dbraw/zinc/79/27/94/779792794.db2.gz WDOUWBJUKIGOHA-BQBZGAKWSA-N 0 3 285.304 -2.446 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1C(=O)CN(C)C1=O)C(N)=O ZINC001150355825 779792849 /nfs/dbraw/zinc/79/28/49/779792849.db2.gz DIDVVAFRYJMPIZ-MRVPVSSYSA-N 0 3 299.331 -2.150 20 0 CAADHN CC[C@@H](NCCNC(=O)CC[C@H]1NC(=O)NC1=O)C(N)=O ZINC001150413258 779792875 /nfs/dbraw/zinc/79/28/75/779792875.db2.gz AROKNLATXUDWKY-HTQZYQBOSA-N 0 3 299.331 -2.056 20 0 CAADHN O=C(CC[C@@H]1NC(=O)NC1=O)NCCNCCF ZINC001150401120 779792894 /nfs/dbraw/zinc/79/28/94/779792894.db2.gz UNGYTLQJADLILM-ZETCQYMHSA-N 0 3 260.269 -1.350 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CCNC(N)=O ZINC001150414595 779793052 /nfs/dbraw/zinc/79/30/52/779793052.db2.gz NSJDFSJCCBHLFN-UHFFFAOYSA-N 0 3 273.337 -1.771 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1C(=O)CN(C)C1=O ZINC001150349803 779793137 /nfs/dbraw/zinc/79/31/37/779793137.db2.gz HLIPSALWJCZTKZ-MRVPVSSYSA-N 0 3 299.331 -2.279 20 0 CAADHN C[C@@H](NCCNC(=O)CC[C@@H]1NC(=O)NC1=O)C(N)=O ZINC001150401174 779793199 /nfs/dbraw/zinc/79/31/99/779793199.db2.gz WDOUWBJUKIGOHA-RQJHMYQMSA-N 0 3 285.304 -2.446 20 0 CAADHN CC[C@H](NCCNC(=O)CC[C@@H]1NC(=O)NC1=O)C(N)=O ZINC001150413265 779793306 /nfs/dbraw/zinc/79/33/06/779793306.db2.gz AROKNLATXUDWKY-YUMQZZPRSA-N 0 3 299.331 -2.056 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001150400839 779793493 /nfs/dbraw/zinc/79/34/93/779793493.db2.gz SLBADVIWGAJNPQ-HTQZYQBOSA-N 0 3 299.331 -2.185 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1C(=O)CCC1=O ZINC001150473013 779795280 /nfs/dbraw/zinc/79/52/80/779795280.db2.gz PCNSOGXWZSGCTQ-UHFFFAOYSA-N 0 3 284.316 -2.023 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1C(=O)CCC1=O ZINC001150466598 779795323 /nfs/dbraw/zinc/79/53/23/779795323.db2.gz KVEVYFGKQHQJHG-UHFFFAOYSA-N 0 3 270.289 -2.413 20 0 CAADHN O=C(CN1C(=O)CCC1=O)NCCN[C@H]1CCNC1=O ZINC001150471874 779795393 /nfs/dbraw/zinc/79/53/93/779795393.db2.gz ACIAOVOLUBYTAK-QMMMGPOBSA-N 0 3 282.300 -2.270 20 0 CAADHN NC(=O)CNCCNC(=O)c1nccnc1C(N)=O ZINC001150450703 779795437 /nfs/dbraw/zinc/79/54/37/779795437.db2.gz SHJWWIVEARWBON-UHFFFAOYSA-N 0 3 266.261 -2.620 20 0 CAADHN CC[C@H](NCCNC(=O)CN1C(=O)CCC1=O)C(N)=O ZINC001150467892 779795476 /nfs/dbraw/zinc/79/54/76/779795476.db2.gz YPXQOPIGEGQNLO-QMMMGPOBSA-N 0 3 284.316 -1.895 20 0 CAADHN O=C(CN1C(=O)CCC1=O)NCCN[C@@H]1CCCNC1=O ZINC001150473376 779795566 /nfs/dbraw/zinc/79/55/66/779795566.db2.gz QTWKEDAZHWVAQH-SECBINFHSA-N 0 3 296.327 -1.880 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)C1CC1 ZINC000130495624 779795721 /nfs/dbraw/zinc/79/57/21/779795721.db2.gz GROCLLIFGLBDQV-ZETCQYMHSA-N 0 3 256.306 -1.054 20 0 CAADHN CC[C@@H](NCCNC(=O)CN1C(=O)CCC1=O)C(N)=O ZINC001150467891 779795897 /nfs/dbraw/zinc/79/58/97/779795897.db2.gz YPXQOPIGEGQNLO-MRVPVSSYSA-N 0 3 284.316 -1.895 20 0 CAADHN CNC(=O)C1(C(=O)NC[C@@H]2CN(CCO)CCCO2)CC1 ZINC001150444018 779796119 /nfs/dbraw/zinc/79/61/19/779796119.db2.gz BUYAGYMGFMCCRT-LLVKDONJSA-N 0 3 299.371 -1.288 20 0 CAADHN Cn1nccc1CNCCNC(=O)CN1C(=O)CCC1=O ZINC001150473004 779796236 /nfs/dbraw/zinc/79/62/36/779796236.db2.gz OLISZIOYVAAHCN-UHFFFAOYSA-N 0 3 293.327 -1.225 20 0 CAADHN CCCNC(=O)CNCCNC(=O)CN1C(=O)CCC1=O ZINC001150465682 779796353 /nfs/dbraw/zinc/79/63/53/779796353.db2.gz CJYOIKGLIVMCOP-UHFFFAOYSA-N 0 3 298.343 -1.633 20 0 CAADHN NC(=O)c1nccnc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001150450864 779796463 /nfs/dbraw/zinc/79/64/63/779796463.db2.gz WNZJYZGCWXNGQE-SSDOTTSWSA-N 0 3 292.299 -2.217 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1ccccc1=O)C(N)=O ZINC001150604067 779797009 /nfs/dbraw/zinc/79/70/09/779797009.db2.gz PHCDQCVZMVGHJE-SNVBAGLBSA-N 0 3 280.328 -1.182 20 0 CAADHN O=C(CCCN1C(=O)CNC1=O)NCCNCCF ZINC001150533112 779797268 /nfs/dbraw/zinc/79/72/68/779797268.db2.gz QVXBFBDSYKLWJH-UHFFFAOYSA-N 0 3 274.296 -1.006 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C1CCN(C(N)=O)CC1 ZINC001150517567 779797348 /nfs/dbraw/zinc/79/73/48/779797348.db2.gz LYNDKCHVPJPRCT-VIFPVBQESA-N 0 3 299.375 -1.383 20 0 CAADHN CN1CC[C@H](NCCNC(=O)Cn2ccccc2=O)C1=O ZINC001150603142 779797431 /nfs/dbraw/zinc/79/74/31/779797431.db2.gz CJMFPFQAHDFPQO-NSHDSACASA-N 0 3 292.339 -1.215 20 0 CAADHN C[C@H](NCCNC(=O)Cn1ccccc1=O)C(N)=O ZINC001150597966 779797460 /nfs/dbraw/zinc/79/74/60/779797460.db2.gz UQXMWSBZOFOBJB-VIFPVBQESA-N 0 3 266.301 -1.572 20 0 CAADHN NC(=O)CNCCNC(=O)Cn1ccccc1=O ZINC001150597264 779797487 /nfs/dbraw/zinc/79/74/87/779797487.db2.gz KRIOFEQIWJIIKX-UHFFFAOYSA-N 0 3 252.274 -1.961 20 0 CAADHN CC(=O)N1CCC(C(=O)NCCN[C@@H]2CCNC2=O)CC1 ZINC001150525926 779797503 /nfs/dbraw/zinc/79/75/03/779797503.db2.gz LMNXPINWYMREPG-GFCCVEGCSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)Cn1ccccc1=O ZINC001150603128 779797533 /nfs/dbraw/zinc/79/75/33/779797533.db2.gz BNXDJVRRVLIYCX-JTQLQIEISA-N 0 3 280.328 -1.311 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)Cn1ccccc1=O ZINC001150596817 779797796 /nfs/dbraw/zinc/79/77/96/779797796.db2.gz CRZWQOJITRBEMO-UHFFFAOYSA-N 0 3 295.299 -2.251 20 0 CAADHN CC(=O)N1CCC(C(=O)NCCN[C@@H](C)C(N)=O)CC1 ZINC001150525008 779797809 /nfs/dbraw/zinc/79/78/09/779797809.db2.gz AWOWVCJUYVAXLP-VIFPVBQESA-N 0 3 284.360 -1.176 20 0 CAADHN NC(=O)CNCCNC(=O)c1cccc(NC(N)=O)c1 ZINC001150563787 779798155 /nfs/dbraw/zinc/79/81/55/779798155.db2.gz DOTUCCDKDBRMJC-UHFFFAOYSA-N 0 3 279.300 -1.018 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(C(N)=O)cc1)C(N)=O ZINC001150759277 779798409 /nfs/dbraw/zinc/79/84/09/779798409.db2.gz NMNQFHZOWSKFKK-QMMMGPOBSA-N 0 3 278.312 -1.021 20 0 CAADHN CCCCn1nc(C(=O)NCCNCC(N)=O)ccc1=O ZINC001150671933 779798426 /nfs/dbraw/zinc/79/84/26/779798426.db2.gz UWMVLWYXIJAKCT-UHFFFAOYSA-N 0 3 295.343 -1.152 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC001150647530 779798497 /nfs/dbraw/zinc/79/84/97/779798497.db2.gz QLHJGBHXRPCRQX-JTQLQIEISA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)CCCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150817811 779799061 /nfs/dbraw/zinc/79/90/61/779799061.db2.gz HAIJNHVHJFBALA-NSHDSACASA-N 0 3 287.360 -1.159 20 0 CAADHN NC(=O)CCCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150817810 779799562 /nfs/dbraw/zinc/79/95/62/779799562.db2.gz HAIJNHVHJFBALA-LLVKDONJSA-N 0 3 287.360 -1.159 20 0 CAADHN CCCn1nc(C(=O)NCCNCC(N)=O)ccc1=O ZINC001150685753 779799626 /nfs/dbraw/zinc/79/96/26/779799626.db2.gz UIPLMNBIIBDDNR-UHFFFAOYSA-N 0 3 281.316 -1.542 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cn(C)c(=O)[nH]c1=O)C(N)=O ZINC001150984292 779800017 /nfs/dbraw/zinc/80/00/17/779800017.db2.gz PVZRWXWQTKVTGW-MRVPVSSYSA-N 0 3 297.315 -1.931 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001150971876 779801093 /nfs/dbraw/zinc/80/10/93/779801093.db2.gz NVXHCGBRSINCGQ-UHFFFAOYSA-N 0 3 283.288 -2.449 20 0 CAADHN CN(C)c1ncccc1C(=O)NCCNCC(N)=O ZINC001151039617 779803438 /nfs/dbraw/zinc/80/34/38/779803438.db2.gz MMDNSYZYMCLHTF-UHFFFAOYSA-N 0 3 265.317 -1.048 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1ccn(C)n1 ZINC001151088648 779804146 /nfs/dbraw/zinc/80/41/46/779804146.db2.gz HMZPWNIPZWPTAG-UHFFFAOYSA-N 0 3 297.359 -1.108 20 0 CAADHN CNC(=O)CNCCNC(=O)Cn1ccnc1C ZINC001151113888 779804171 /nfs/dbraw/zinc/80/41/71/779804171.db2.gz AEXRTRPWUIMDFI-UHFFFAOYSA-N 0 3 253.306 -1.357 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1ccn(C)n1 ZINC001151084985 779804270 /nfs/dbraw/zinc/80/42/70/779804270.db2.gz WLSUJPZZTNPNJD-QMMMGPOBSA-N 0 3 296.331 -1.416 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cn1ccnc1C ZINC001151147148 779804348 /nfs/dbraw/zinc/80/43/48/779804348.db2.gz FOFLMBFHUKMZJA-UHFFFAOYSA-N 0 3 296.331 -1.647 20 0 CAADHN Cn1ccc(C(=O)NCCN[C@H]2CCN(C)C2=O)n1 ZINC001151081310 779804473 /nfs/dbraw/zinc/80/44/73/779804473.db2.gz ZKFQWCLXVKBYAM-JTQLQIEISA-N 0 3 265.317 -1.030 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)CN1CCOCC1 ZINC001151152521 779804512 /nfs/dbraw/zinc/80/45/12/779804512.db2.gz VFFWHFYFUBVMLZ-NSHDSACASA-N 0 3 286.376 -1.594 20 0 CAADHN Cc1nccn1CC(=O)NCCN[C@@H](C)C(N)=O ZINC001151115451 779804526 /nfs/dbraw/zinc/80/45/26/779804526.db2.gz XMUVLSCUYJTRBQ-QMMMGPOBSA-N 0 3 253.306 -1.229 20 0 CAADHN Cc1nccn1CC(=O)NCCNCCS(C)(=O)=O ZINC001151147862 779804558 /nfs/dbraw/zinc/80/45/58/779804558.db2.gz ZWHKOQYEIRRSJP-UHFFFAOYSA-N 0 3 288.373 -1.058 20 0 CAADHN Cc1nccn1CC(=O)NCCN[C@H](C)C(N)=O ZINC001151115450 779805116 /nfs/dbraw/zinc/80/51/16/779805116.db2.gz XMUVLSCUYJTRBQ-MRVPVSSYSA-N 0 3 253.306 -1.229 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)CN1CCOCC1 ZINC001151152518 779805405 /nfs/dbraw/zinc/80/54/05/779805405.db2.gz VFFWHFYFUBVMLZ-LLVKDONJSA-N 0 3 286.376 -1.594 20 0 CAADHN Cn1nnnc1CNCCNC(=O)CN1CCCC1 ZINC001151113920 779805447 /nfs/dbraw/zinc/80/54/47/779805447.db2.gz BCXLMXKHRSWUIW-UHFFFAOYSA-N 0 3 267.337 -1.488 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151174440 779805757 /nfs/dbraw/zinc/80/57/57/779805757.db2.gz SMKWLLOHIXKUSS-UHFFFAOYSA-N 0 3 295.343 -1.042 20 0 CAADHN NC(=O)c1cc(C(=O)NCCN[C@H]2CCCNC2=O)c[nH]1 ZINC001151174636 779805768 /nfs/dbraw/zinc/80/57/68/779805768.db2.gz WVABQJUEHUKPAO-VIFPVBQESA-N 0 3 293.327 -1.288 20 0 CAADHN NC(=O)c1cc(C(=O)NCCNCC(=O)NC2CC2)c[nH]1 ZINC001151174773 779805780 /nfs/dbraw/zinc/80/57/80/779805780.db2.gz YOGDTPCVJILZJS-UHFFFAOYSA-N 0 3 293.327 -1.288 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151179184 779805841 /nfs/dbraw/zinc/80/58/41/779805841.db2.gz QHOXICZBZNEINH-SSDOTTSWSA-N 0 3 281.316 -1.433 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)NCCN[C@@H](C)C(N)=O ZINC001151156332 779806064 /nfs/dbraw/zinc/80/60/64/779806064.db2.gz ALCKVJROOZCCGV-QWRGUYRKSA-N 0 3 286.376 -1.466 20 0 CAADHN C[C@@H](NCCNC(=O)c1c[nH]c(C(N)=O)c1)C(N)=O ZINC001151174022 779806202 /nfs/dbraw/zinc/80/62/02/779806202.db2.gz LLYRYZAYFGFJKF-ZCFIWIBFSA-N 0 3 267.289 -1.693 20 0 CAADHN Cc1ccc(CC(=O)NCCNCC(=O)NC(N)=O)cn1 ZINC001151163253 779806380 /nfs/dbraw/zinc/80/63/80/779806380.db2.gz GXGUCWDCGIBLOI-UHFFFAOYSA-N 0 3 293.327 -1.167 20 0 CAADHN NC(=O)c1cc(C(=O)NCCN[C@@H]2CCCNC2=O)c[nH]1 ZINC001151174635 779806554 /nfs/dbraw/zinc/80/65/54/779806554.db2.gz WVABQJUEHUKPAO-SECBINFHSA-N 0 3 293.327 -1.288 20 0 CAADHN C[C@@H](CN1CCOCC1)C(=O)NCCN[C@H]1CCNC1=O ZINC001151157954 779806687 /nfs/dbraw/zinc/80/66/87/779806687.db2.gz NQDZUGBPEDGPNE-RYUDHWBXSA-N 0 3 298.387 -1.451 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)c2c[nH]c(C(N)=O)c2)C1=O ZINC001151185534 779806837 /nfs/dbraw/zinc/80/68/37/779806837.db2.gz YEWOQDJAUAKGPB-SECBINFHSA-N 0 3 293.327 -1.336 20 0 CAADHN NC(=O)c1cc(C(=O)NCCN[C@@H]2CCNC2=O)c[nH]1 ZINC001151174046 779806849 /nfs/dbraw/zinc/80/68/49/779806849.db2.gz MPHWGHURRBHFBS-MRVPVSSYSA-N 0 3 279.300 -1.679 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H](C)CN1CCOCC1)C(N)=O ZINC001151156333 779806896 /nfs/dbraw/zinc/80/68/96/779806896.db2.gz ALCKVJROOZCCGV-WDEREUQCSA-N 0 3 286.376 -1.466 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCCOC1 ZINC001151279041 779807186 /nfs/dbraw/zinc/80/71/86/779807186.db2.gz DNSJOIFTOBJMPE-SECBINFHSA-N 0 3 286.332 -1.296 20 0 CAADHN CCc1ncncc1C(=O)NCCNCC(N)=O ZINC001151251817 779807163 /nfs/dbraw/zinc/80/71/63/779807163.db2.gz ZJNQZDISMCGMSY-UHFFFAOYSA-N 0 3 251.290 -1.156 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cncc(C(N)=O)c1 ZINC001151292472 779807405 /nfs/dbraw/zinc/80/74/05/779807405.db2.gz HFXDPCAGOUSHBF-UHFFFAOYSA-N 0 3 279.300 -1.754 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H]1CCS(=O)(=O)N1)C(N)=O ZINC001151301843 779807556 /nfs/dbraw/zinc/80/75/56/779807556.db2.gz WWZZPIBTFDKLDO-RNFRBKRXSA-N 0 3 278.334 -2.742 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151299177 779807670 /nfs/dbraw/zinc/80/76/70/779807670.db2.gz BNFHDRDPKRHTBS-QMMMGPOBSA-N 0 3 292.361 -2.480 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cncc(C(N)=O)c1 ZINC001151317912 779808377 /nfs/dbraw/zinc/80/83/77/779808377.db2.gz AGESQLKLINYESW-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN Cc1nccc(C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)n1 ZINC001151330885 779808430 /nfs/dbraw/zinc/80/84/30/779808430.db2.gz MPUMLSKKKKXBMF-ZETCQYMHSA-N 0 3 294.315 -1.312 20 0 CAADHN CC[C@@H](C)C(=O)NCC(=O)NCCNCC(=O)NC ZINC001151365934 779808939 /nfs/dbraw/zinc/80/89/39/779808939.db2.gz GCOJAHHECKZHMX-SECBINFHSA-N 0 3 272.349 -1.400 20 0 CAADHN Cc1nccc(C(=O)NCCN[C@H](C)C(=O)NC(N)=O)n1 ZINC001151330884 779809094 /nfs/dbraw/zinc/80/90/94/779809094.db2.gz MPUMLSKKKKXBMF-SSDOTTSWSA-N 0 3 294.315 -1.312 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCN1CCCC1=O ZINC001151353488 779809119 /nfs/dbraw/zinc/80/91/19/779809119.db2.gz CCWZPXJGFHCNEV-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN Cc1nccc(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)n1 ZINC001151323503 779809254 /nfs/dbraw/zinc/80/92/54/779809254.db2.gz BACAINUGDQCTJX-SECBINFHSA-N 0 3 291.311 -1.090 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCN1CCCC1=O ZINC001151354655 779809451 /nfs/dbraw/zinc/80/94/51/779809451.db2.gz OPEJRPOLWZMEGN-UHFFFAOYSA-N 0 3 299.331 -2.100 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)c1ccsc1 ZINC001151472160 779810037 /nfs/dbraw/zinc/81/00/37/779810037.db2.gz SZBVFURVEHCRNM-UHFFFAOYSA-N 0 3 298.368 -1.070 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)CC(C)(C)C ZINC001151465887 779810209 /nfs/dbraw/zinc/81/02/09/779810209.db2.gz LFXGCKMAUBRVSM-UHFFFAOYSA-N 0 3 286.376 -1.009 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCNCc1cncn1C ZINC001151373683 779810523 /nfs/dbraw/zinc/81/05/23/779810523.db2.gz SYMNTUANPTXBIU-UHFFFAOYSA-N 0 3 289.361 -1.825 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001151379562 779810571 /nfs/dbraw/zinc/81/05/71/779810571.db2.gz KCUFXUUTIWDCJM-MRVPVSSYSA-N 0 3 292.361 -2.480 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CCN2CCCC2=O)C1=O ZINC001151386196 779810841 /nfs/dbraw/zinc/81/08/41/779810841.db2.gz RMVWYGPIGZREIH-NSHDSACASA-N 0 3 296.371 -1.065 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CCN2CCCC2=O)C1=O ZINC001151386195 779810893 /nfs/dbraw/zinc/81/08/93/779810893.db2.gz RMVWYGPIGZREIH-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001151586792 779811351 /nfs/dbraw/zinc/81/13/51/779811351.db2.gz MWUQEQFTWCAIAK-WCBMZHEXSA-N 0 3 286.332 -2.187 20 0 CAADHN COCC[C@H](C)C(=O)NCCNCCNS(C)(=O)=O ZINC001151506274 779811494 /nfs/dbraw/zinc/81/14/94/779811494.db2.gz QKSDCEFOZUPMMF-JTQLQIEISA-N 0 3 295.405 -1.086 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)NCCNCC(N)=O ZINC001151587418 779811504 /nfs/dbraw/zinc/81/15/04/779811504.db2.gz TYLWOCZJWJCYHQ-VIFPVBQESA-N 0 3 272.305 -2.575 20 0 CAADHN CC(=O)N1CCOC[C@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001151587113 779811655 /nfs/dbraw/zinc/81/16/55/779811655.db2.gz QKSKUSMOMHSODY-MNOVXSKESA-N 0 3 298.343 -2.172 20 0 CAADHN CC[C@@H](C(=O)NCCNCC(N)=O)N1CCCC1=O ZINC001151530382 779811726 /nfs/dbraw/zinc/81/17/26/779811726.db2.gz VCROSTXPWSOPSR-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN COCC[C@@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001151530187 779811887 /nfs/dbraw/zinc/81/18/87/779811887.db2.gz UFZBQPWZHSHFGG-BDAKNGLRSA-N 0 3 288.348 -1.052 20 0 CAADHN COCC[C@H](C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001151530355 779812049 /nfs/dbraw/zinc/81/20/49/779812049.db2.gz UFZBQPWZHSHFGG-IUCAKERBSA-N 0 3 288.348 -1.052 20 0 CAADHN CC(=O)N1CCOC[C@@H]1C(=O)NCCN[C@@H]1CCNC1=O ZINC001151587112 779812242 /nfs/dbraw/zinc/81/22/42/779812242.db2.gz QKSKUSMOMHSODY-GHMZBOCLSA-N 0 3 298.343 -2.172 20 0 CAADHN C[C@H](NCCNC(=O)c1noc2c1COCC2)C(N)=O ZINC001151693839 779812681 /nfs/dbraw/zinc/81/26/81/779812681.db2.gz UGKLAYWJMXRNLP-ZETCQYMHSA-N 0 3 282.300 -1.060 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C)NC(=O)c1ccco1)C(N)=O ZINC001151659272 779813003 /nfs/dbraw/zinc/81/30/03/779813003.db2.gz GHAVYUSAHWTYBD-BDAKNGLRSA-N 0 3 296.327 -1.023 20 0 CAADHN Cn1nc(C2CC2)nc1CC(=O)NCCNCC(N)=O ZINC001151723862 779813277 /nfs/dbraw/zinc/81/32/77/779813277.db2.gz ZSTLMAXMMLDLMD-UHFFFAOYSA-N 0 3 280.332 -1.574 20 0 CAADHN C[C@@H](NCCNC(=O)c1noc2c1COCC2)C(N)=O ZINC001151693838 779813355 /nfs/dbraw/zinc/81/33/55/779813355.db2.gz UGKLAYWJMXRNLP-SSDOTTSWSA-N 0 3 282.300 -1.060 20 0 CAADHN CNC(=O)c1cccc(C(=O)NCCNCC(N)=O)c1 ZINC001151622547 779813453 /nfs/dbraw/zinc/81/34/53/779813453.db2.gz UCUAXUYBOIBQHJ-UHFFFAOYSA-N 0 3 278.312 -1.149 20 0 CAADHN C[C@@H](NCCNC(=O)Cc1nc(C2CC2)nn1C)C(N)=O ZINC001151723080 779813676 /nfs/dbraw/zinc/81/36/76/779813676.db2.gz IXEVTBGKSOSNNW-MRVPVSSYSA-N 0 3 294.359 -1.185 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001151715508 779813853 /nfs/dbraw/zinc/81/38/53/779813853.db2.gz DKJJFXCBUCSERZ-SECBINFHSA-N 0 3 279.344 -1.034 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001151739338 779814620 /nfs/dbraw/zinc/81/46/20/779814620.db2.gz KYWNPLRUQVNHCO-RYUDHWBXSA-N 0 3 298.387 -1.309 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001151748694 779814787 /nfs/dbraw/zinc/81/47/87/779814787.db2.gz ICTOBBUIIJLHAH-GFCCVEGCSA-N 0 3 298.387 -1.309 20 0 CAADHN C[C@@H](NCCNC(=O)[C@H](C1CC1)N1CCOCC1)C(N)=O ZINC001151815399 779814948 /nfs/dbraw/zinc/81/49/48/779814948.db2.gz UNLCIXKMPZGCGI-PWSUYJOCSA-N 0 3 298.387 -1.323 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001151813976 779815564 /nfs/dbraw/zinc/81/55/64/779815564.db2.gz CSYKGSCZQGYLQS-LBPRGKRZSA-N 0 3 284.360 -1.712 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCNCC(N)=O)C1 ZINC001151749352 779815549 /nfs/dbraw/zinc/81/55/49/779815549.db2.gz VUMBUXTZPHVKCO-VIFPVBQESA-N 0 3 258.322 -2.102 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C1CC1)N1CCOCC1 ZINC001151814722 779815887 /nfs/dbraw/zinc/81/58/87/779815887.db2.gz JYDBWYQWQOOFMG-ZDUSSCGKSA-N 0 3 298.387 -1.451 20 0 CAADHN CCN1CCO[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001151739339 779815941 /nfs/dbraw/zinc/81/59/41/779815941.db2.gz KYWNPLRUQVNHCO-VXGBXAGGSA-N 0 3 298.387 -1.309 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CN(CC)CCO1)C(N)=O ZINC001151740250 779815994 /nfs/dbraw/zinc/81/59/94/779815994.db2.gz QZMNSTSCVAHRPN-MNOVXSKESA-N 0 3 286.376 -1.323 20 0 CAADHN CC[C@H](NCCNC(=O)c1cccnc1C(N)=O)C(N)=O ZINC001151967476 779817162 /nfs/dbraw/zinc/81/71/62/779817162.db2.gz OSQIVVXPCIBPCX-VIFPVBQESA-N 0 3 293.327 -1.236 20 0 CAADHN C[C@@H](NCCNC(=O)c1cccnc1C(N)=O)C(N)=O ZINC001151967541 779817417 /nfs/dbraw/zinc/81/74/17/779817417.db2.gz RLVJRJGPPSRBBH-SSDOTTSWSA-N 0 3 279.300 -1.626 20 0 CAADHN CN(C)S(=O)(=O)CCC(=O)NCCNCCF ZINC001152084305 779818297 /nfs/dbraw/zinc/81/82/97/779818297.db2.gz MBUXOXKQHMKXLT-UHFFFAOYSA-N 0 3 269.342 -1.057 20 0 CAADHN NC(=O)c1ncccc1C(=O)NCCN[C@H]1CCNC1=O ZINC001151968051 779818530 /nfs/dbraw/zinc/81/85/30/779818530.db2.gz ZXZXGVMVXLJNOM-VIFPVBQESA-N 0 3 291.311 -1.612 20 0 CAADHN C[C@H](NCCNC(=O)[C@H]1CCc2nncn2C1)C(N)=O ZINC001152156685 779819476 /nfs/dbraw/zinc/81/94/76/779819476.db2.gz PZRBUALURMXNID-IUCAKERBSA-N 0 3 280.332 -1.580 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCc2nncn2C1)C(N)=O ZINC001152156632 779819765 /nfs/dbraw/zinc/81/97/65/779819765.db2.gz POZWJDMQQMCEIZ-NXEZZACHSA-N 0 3 294.359 -1.190 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCc2nncn2C1 ZINC001152155631 779819985 /nfs/dbraw/zinc/81/99/85/779819985.db2.gz KBMOXQMMPFSDTI-MRVPVSSYSA-N 0 3 266.305 -1.968 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)N1CCCCC1=O ZINC001152162481 779820174 /nfs/dbraw/zinc/82/01/74/779820174.db2.gz XAZMBWBWSCPXAO-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CCOCCO[C@@H](C)C(=O)NCCNCC(N)=O ZINC001152196161 779820514 /nfs/dbraw/zinc/82/05/14/779820514.db2.gz QXNTXEJRZBJYEW-VIFPVBQESA-N 0 3 261.322 -1.381 20 0 CAADHN C[C@H](NCCNC(=O)CNC(=O)Cn1cncn1)C(N)=O ZINC001152254918 779821272 /nfs/dbraw/zinc/82/12/72/779821272.db2.gz XWAYKGLSEKJWLH-QMMMGPOBSA-N 0 3 297.319 -3.026 20 0 CAADHN O=C(CNC(=O)C1CCC1)NCCN[C@H]1CCCNC1=O ZINC001152303836 779821295 /nfs/dbraw/zinc/82/12/95/779821295.db2.gz FNOOEFDNJQNTKZ-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCN[C@@H]1CCNC1=O ZINC001152282259 779821530 /nfs/dbraw/zinc/82/15/30/779821530.db2.gz DUXFFIDJYVFKQY-MRVPVSSYSA-N 0 3 285.348 -1.712 20 0 CAADHN CNC(=O)CNCCNC(=O)C(C)(C)NC(=O)NC ZINC001152276141 779821500 /nfs/dbraw/zinc/82/15/00/779821500.db2.gz VNFIAWRZJGJNBL-UHFFFAOYSA-N 0 3 273.337 -1.854 20 0 CAADHN CCCNC(=O)NC(C)(C)C(=O)NCCNCC(N)=O ZINC001152296708 779821574 /nfs/dbraw/zinc/82/15/74/779821574.db2.gz JSGSPHQEZNJKFP-UHFFFAOYSA-N 0 3 287.364 -1.335 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCN[C@H]1CCCNC1=O ZINC001152282915 779821741 /nfs/dbraw/zinc/82/17/41/779821741.db2.gz QZVKSTYYZXDSRJ-VIFPVBQESA-N 0 3 299.375 -1.322 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCN[C@H](C)C(=O)NC ZINC001152282834 779821939 /nfs/dbraw/zinc/82/19/39/779821939.db2.gz PTVHKLIHOMGBFP-MRVPVSSYSA-N 0 3 287.364 -1.466 20 0 CAADHN CNC(=O)NC(C)(C)C(=O)NCCNCC(=O)NC1CC1 ZINC001152282784 779821992 /nfs/dbraw/zinc/82/19/92/779821992.db2.gz OJCJHBBOHJUTNL-UHFFFAOYSA-N 0 3 299.375 -1.322 20 0 CAADHN CCS(=O)(=O)CC(=O)NCCN[C@H]1CCCNC1=O ZINC001152377716 779822910 /nfs/dbraw/zinc/82/29/10/779822910.db2.gz VLTBJDRWPFCZLD-VIFPVBQESA-N 0 3 291.373 -1.595 20 0 CAADHN CCS(=O)(=O)CC(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001152383179 779823138 /nfs/dbraw/zinc/82/31/38/779823138.db2.gz DEBVCVIXXMSTLJ-SECBINFHSA-N 0 3 291.373 -1.642 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CNC(=O)C2CCC2)C1=O ZINC001152324342 779823240 /nfs/dbraw/zinc/82/32/40/779823240.db2.gz RDDYROSRKVUVHI-NSHDSACASA-N 0 3 296.371 -1.161 20 0 CAADHN CCS(=O)(=O)CC(=O)NCCN[C@@H]1CCCNC1=O ZINC001152377715 779823337 /nfs/dbraw/zinc/82/33/37/779823337.db2.gz VLTBJDRWPFCZLD-SECBINFHSA-N 0 3 291.373 -1.595 20 0 CAADHN CC[C@@H](F)CNCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414824 779823903 /nfs/dbraw/zinc/82/39/03/779823903.db2.gz ORGGEAUSBGATIE-MRVPVSSYSA-N 0 3 286.311 -1.169 20 0 CAADHN CC[C@H](F)CNCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414825 779824088 /nfs/dbraw/zinc/82/40/88/779824088.db2.gz ORGGEAUSBGATIE-QMMMGPOBSA-N 0 3 286.311 -1.169 20 0 CAADHN CC[C@H](NCCNC(=O)c1cn(CC(N)=O)nn1)C(N)=O ZINC001152421102 779824146 /nfs/dbraw/zinc/82/41/46/779824146.db2.gz QZMROCAEFDGEJK-ZETCQYMHSA-N 0 3 297.319 -2.653 20 0 CAADHN NC(=O)Cn1cc(C(=O)NCCNC/C=C\Cl)nn1 ZINC001152420754 779824191 /nfs/dbraw/zinc/82/41/91/779824191.db2.gz IGAGZTVOWMUGBQ-UPHRSURJSA-N 0 3 286.723 -1.165 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cn(CC(N)=O)nn1)C(N)=O ZINC001152421101 779824242 /nfs/dbraw/zinc/82/42/42/779824242.db2.gz QZMROCAEFDGEJK-SSDOTTSWSA-N 0 3 297.319 -2.653 20 0 CAADHN NC(=O)CNCCNC(=O)c1cn(CC(N)=O)nn1 ZINC001152414810 779824485 /nfs/dbraw/zinc/82/44/85/779824485.db2.gz NXNTZTQFQUQJIL-UHFFFAOYSA-N 0 3 269.265 -3.432 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001152508516 779825556 /nfs/dbraw/zinc/82/55/56/779825556.db2.gz LANOEWJLBUQBAW-VIFPVBQESA-N 0 3 270.333 -1.693 20 0 CAADHN CN1C[C@H](C(=O)NCCNCC(=O)NC(N)=O)CCC1=O ZINC001152507825 779825806 /nfs/dbraw/zinc/82/58/06/779825806.db2.gz FHHCTRCXQMOOIB-MRVPVSSYSA-N 0 3 299.331 -2.245 20 0 CAADHN CCN(CCN1CCNC1=O)[C@H](C)CNC(=O)CC(N)=O ZINC001152507098 779825843 /nfs/dbraw/zinc/82/58/43/779825843.db2.gz SFWHCNNXUFJJRR-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001152508515 779826149 /nfs/dbraw/zinc/82/61/49/779826149.db2.gz LANOEWJLBUQBAW-SECBINFHSA-N 0 3 270.333 -1.693 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)c1cn(C)c(=O)n1C ZINC001152690942 779828291 /nfs/dbraw/zinc/82/82/91/779828291.db2.gz BUCGCLYXZVODNX-UHFFFAOYSA-N 0 3 297.359 -1.432 20 0 CAADHN Cn1cc(C(=O)NCCNCC(N)=O)n(C)c1=O ZINC001152699328 779828414 /nfs/dbraw/zinc/82/84/14/779828414.db2.gz WXKXAHZUMAUBEV-UHFFFAOYSA-N 0 3 255.278 -2.472 20 0 CAADHN CC[C@@H](NCCNC(=O)c1cn(C)c(=O)n1C)C(N)=O ZINC001152712668 779828599 /nfs/dbraw/zinc/82/85/99/779828599.db2.gz OSHHLUYYJACDQX-MRVPVSSYSA-N 0 3 283.332 -1.693 20 0 CAADHN Cn1cc(C(=O)NCCNCc2ccnn2C)n(C)c1=O ZINC001152691988 779828697 /nfs/dbraw/zinc/82/86/97/779828697.db2.gz ZPLYAHSALCOATP-UHFFFAOYSA-N 0 3 292.343 -1.023 20 0 CAADHN Cn1cc(C(=O)NCCNCC(=O)N2CCC2)n(C)c1=O ZINC001152691001 779828876 /nfs/dbraw/zinc/82/88/76/779828876.db2.gz DDDIDUFXUQXKIF-UHFFFAOYSA-N 0 3 295.343 -1.725 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(C)c(=O)n1C)C(=O)N(C)C ZINC001152711335 779828942 /nfs/dbraw/zinc/82/89/42/779828942.db2.gz APEORGRJJHSAGN-VIFPVBQESA-N 0 3 297.359 -1.480 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cn(C)c(=O)n1C ZINC001152712269 779828984 /nfs/dbraw/zinc/82/89/84/779828984.db2.gz LVHARTNXHFFQKX-MRVPVSSYSA-N 0 3 283.332 -1.822 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1cn(C)c(=O)n1C ZINC001152699125 779829162 /nfs/dbraw/zinc/82/91/62/779829162.db2.gz NJEDLUKJPNEQSC-UHFFFAOYSA-N 0 3 297.359 -1.431 20 0 CAADHN CN(C)C1(C)CN(C(=O)c2ncn3c2nnn(C)c3=O)C1 ZINC001152751769 779829660 /nfs/dbraw/zinc/82/96/60/779829660.db2.gz UWQAOPRQEJQZSU-UHFFFAOYSA-N 0 3 291.315 -1.401 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCN[C@H]1CCNC1=O ZINC001152776733 779830828 /nfs/dbraw/zinc/83/08/28/779830828.db2.gz AXBIHRWCCFWHSL-WDEREUQCSA-N 0 3 282.344 -1.408 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(N)=O ZINC001152776843 779831322 /nfs/dbraw/zinc/83/13/22/779831322.db2.gz DWBGTQMGWCPUQZ-WCBMZHEXSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCCN1C(C)=O ZINC001152788949 779831482 /nfs/dbraw/zinc/83/14/82/779831482.db2.gz HWRPSFVEUFMMEV-SNVBAGLBSA-N 0 3 270.333 -1.551 20 0 CAADHN CC(=O)N1CCC[C@@H]1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001152789919 779831874 /nfs/dbraw/zinc/83/18/74/779831874.db2.gz SNXRIXUZYBKUMU-VXGBXAGGSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CCCCC(=O)NCCN[C@H](C)C(N)=O ZINC001153058133 779834340 /nfs/dbraw/zinc/83/43/40/779834340.db2.gz JYMCEWSUFIIMLQ-SECBINFHSA-N 0 3 272.349 -1.128 20 0 CAADHN C[C@H](NCCNC(=O)Cc1ccc(C(N)=O)cc1)C(N)=O ZINC001152964255 779834356 /nfs/dbraw/zinc/83/43/56/779834356.db2.gz WIHJLHJFIWPDHC-VIFPVBQESA-N 0 3 292.339 -1.092 20 0 CAADHN C[C@@H](OC[C@@H]1CCCO1)C(=O)NCCNCC(N)=O ZINC001153176489 779835475 /nfs/dbraw/zinc/83/54/75/779835475.db2.gz LWRFYOVUDOZEPT-ZJUUUORDSA-N 0 3 273.333 -1.238 20 0 CAADHN C[C@@H](OC[C@H]1CCCO1)C(=O)NCCNCC(N)=O ZINC001153176470 779835617 /nfs/dbraw/zinc/83/56/17/779835617.db2.gz LWRFYOVUDOZEPT-NXEZZACHSA-N 0 3 273.333 -1.238 20 0 CAADHN COCCOCCC(=O)NCCN[C@@H](C)C(N)=O ZINC001153213486 779836157 /nfs/dbraw/zinc/83/61/57/779836157.db2.gz CWGZSGJWVLHPAG-VIFPVBQESA-N 0 3 261.322 -1.381 20 0 CAADHN CCNC(=O)CNCCNC(=O)CCOCCOC ZINC001153225389 779836788 /nfs/dbraw/zinc/83/67/88/779836788.db2.gz NLWSTIUJGPGPPM-UHFFFAOYSA-N 0 3 275.349 -1.119 20 0 CAADHN COCCOCCC(=O)NCCN[C@H]1CCNC1=O ZINC001153224616 779837502 /nfs/dbraw/zinc/83/75/02/779837502.db2.gz CMRGCULQYRJGED-JTQLQIEISA-N 0 3 273.333 -1.366 20 0 CAADHN CC[C@@H](NCCNC(=O)CCCC(N)=O)C(N)=O ZINC001153462060 779838321 /nfs/dbraw/zinc/83/83/21/779838321.db2.gz QUNUZNNYCKRNBD-MRVPVSSYSA-N 0 3 258.322 -1.388 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)CCCC(N)=O ZINC001153456233 779838432 /nfs/dbraw/zinc/83/84/32/779838432.db2.gz VVFXLNUMZOWINR-UHFFFAOYSA-N 0 3 272.349 -1.128 20 0 CAADHN CN(C(=O)CNCCNC(=O)CCCC(N)=O)C1CC1 ZINC001153467841 779839827 /nfs/dbraw/zinc/83/98/27/779839827.db2.gz OUXFDOASVNDOFW-UHFFFAOYSA-N 0 3 284.360 -1.031 20 0 CAADHN CC[C@@H](NCCNC(=O)c1ccc(C(N)=O)nc1)C(N)=O ZINC001153520001 779839866 /nfs/dbraw/zinc/83/98/66/779839866.db2.gz BGAXATVLIZMVTR-SECBINFHSA-N 0 3 293.327 -1.236 20 0 CAADHN Cn1[nH]c(CNCCNC(=O)Cn2ccnc2)nc1=O ZINC001153487527 779839938 /nfs/dbraw/zinc/83/99/38/779839938.db2.gz BYJCAXCNHYHLKX-UHFFFAOYSA-N 0 3 279.304 -1.789 20 0 CAADHN C[C@@H](NCCNC(=O)CCCC(N)=O)C(=O)NC(N)=O ZINC001153468283 779840203 /nfs/dbraw/zinc/84/02/03/779840203.db2.gz VHRZRNZBDFMANV-SSDOTTSWSA-N 0 3 287.320 -2.069 20 0 CAADHN O=C(Cn1ccnc1)NCCN[C@H]1CCC(=O)NC1=O ZINC001153495802 779840371 /nfs/dbraw/zinc/84/03/71/779840371.db2.gz ODUPEAZZPJJDDD-VIFPVBQESA-N 0 3 279.300 -1.606 20 0 CAADHN CC(C)C[C@@H](C(N)=O)C(=O)NCCNCC(N)=O ZINC001153790438 779846567 /nfs/dbraw/zinc/84/65/67/779846567.db2.gz WCVJAZIJYWDTMR-QMMMGPOBSA-N 0 3 258.322 -1.675 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cn1ccnc1 ZINC001153487986 779840555 /nfs/dbraw/zinc/84/05/55/779840555.db2.gz XXXZQGWRCIPREY-UHFFFAOYSA-N 0 3 253.306 -1.275 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)Cn1ccnc1 ZINC001153487748 779840653 /nfs/dbraw/zinc/84/06/53/779840653.db2.gz MBCVLQSYPZFZOD-UHFFFAOYSA-N 0 3 296.331 -1.565 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153527794 779840916 /nfs/dbraw/zinc/84/09/16/779840916.db2.gz LBGSPVVALTUUFV-UHFFFAOYSA-N 0 3 265.273 -2.015 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1ccnc1)C(=O)NC(N)=O ZINC001153500292 779840941 /nfs/dbraw/zinc/84/09/41/779840941.db2.gz IZJRVQHMBODLDA-MRVPVSSYSA-N 0 3 282.304 -1.828 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccnc(-n2cncn2)c1 ZINC001153507918 779841026 /nfs/dbraw/zinc/84/10/26/779841026.db2.gz NSIWHYOMCMVQHI-UHFFFAOYSA-N 0 3 289.299 -1.533 20 0 CAADHN O=C(Cn1ccnc1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001153495801 779841150 /nfs/dbraw/zinc/84/11/50/779841150.db2.gz ODUPEAZZPJJDDD-SECBINFHSA-N 0 3 279.300 -1.606 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)Cn1ccnc1 ZINC001153500267 779841204 /nfs/dbraw/zinc/84/12/04/779841204.db2.gz HTANJOKWNLPPQO-VIFPVBQESA-N 0 3 296.331 -1.567 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccc(C(N)=O)nc1 ZINC001153514568 779841357 /nfs/dbraw/zinc/84/13/57/779841357.db2.gz LOORZJXBVXAYQW-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN Cc1nonc1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001153572595 779841657 /nfs/dbraw/zinc/84/16/57/779841657.db2.gz OMVODBPMITZCQD-MRVPVSSYSA-N 0 3 267.289 -1.072 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153586011 779842053 /nfs/dbraw/zinc/84/20/53/779842053.db2.gz GNVBEUJUEAYGEU-VIFPVBQESA-N 0 3 285.348 -1.677 20 0 CAADHN Cc1nonc1C(=O)NCCN[C@@H]1CCCNC1=O ZINC001153567617 779842424 /nfs/dbraw/zinc/84/24/24/779842424.db2.gz RRYULMKQBZGMGO-MRVPVSSYSA-N 0 3 267.289 -1.024 20 0 CAADHN COCCCNC(=O)CNCCNC(=O)c1nonc1C ZINC001153559903 779842480 /nfs/dbraw/zinc/84/24/80/779842480.db2.gz DPFPDAREFAWUTG-UHFFFAOYSA-N 0 3 299.331 -1.150 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1nonc1C ZINC001153577888 779842496 /nfs/dbraw/zinc/84/24/96/779842496.db2.gz HZGYFPSYXINFOK-ZETCQYMHSA-N 0 3 298.303 -1.458 20 0 CAADHN Cc1nonc1C(=O)NCCNCC(=O)N(C)C ZINC001153561099 779842621 /nfs/dbraw/zinc/84/26/21/779842621.db2.gz NDTKYEMHTZRTFJ-UHFFFAOYSA-N 0 3 255.278 -1.214 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCCN1C(N)=O ZINC001153578338 779842769 /nfs/dbraw/zinc/84/27/69/779842769.db2.gz NTRQIUGGNATAMM-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN Cc1nonc1C(=O)NCCNCC(=O)NC1CC1 ZINC001153560901 779842850 /nfs/dbraw/zinc/84/28/50/779842850.db2.gz KJPGNDLAZCSJQE-UHFFFAOYSA-N 0 3 267.289 -1.024 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCN1C(N)=O)C(=O)N(C)C ZINC001153585479 779842883 /nfs/dbraw/zinc/84/28/83/779842883.db2.gz ASIXOQNYYQCKHZ-UWVGGRQHSA-N 0 3 299.375 -1.288 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](C)NC(=O)C1CCC1)C(N)=O ZINC001153692399 779843150 /nfs/dbraw/zinc/84/31/50/779843150.db2.gz JFERMTVIINCRMP-IUCAKERBSA-N 0 3 284.360 -1.129 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)C1CCC1 ZINC001153693903 779843225 /nfs/dbraw/zinc/84/32/25/779843225.db2.gz VAPJNQXNYIRHMC-SECBINFHSA-N 0 3 284.360 -1.257 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)[C@@H]2CCCN2C(N)=O)C1=O ZINC001153591451 779843545 /nfs/dbraw/zinc/84/35/45/779843545.db2.gz QDBGZYSWJBKOAV-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)COC[C@H]1CCCO1 ZINC001153674197 779843585 /nfs/dbraw/zinc/84/35/85/779843585.db2.gz SOXJFANTCMUISP-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@@H](NCCNC(=O)COC[C@@H]1CCCO1)C(N)=O ZINC001153673852 779843639 /nfs/dbraw/zinc/84/36/39/779843639.db2.gz OUVZPEJUXUHKNN-ZJUUUORDSA-N 0 3 273.333 -1.238 20 0 CAADHN NC(=O)N1CCC[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001153586775 779844124 /nfs/dbraw/zinc/84/41/24/779844124.db2.gz ZMAOZJYJXBUIFI-JTQLQIEISA-N 0 3 297.359 -1.486 20 0 CAADHN COc1ncnc(OC)c1C(=O)NCCN[C@@H](C)C(N)=O ZINC001153591177 779844257 /nfs/dbraw/zinc/84/42/57/779844257.db2.gz IUFOHEWNKOCTII-ZETCQYMHSA-N 0 3 297.315 -1.313 20 0 CAADHN CNC(=O)CNCCNC(=O)COC[C@H]1CCCO1 ZINC001153672689 779844365 /nfs/dbraw/zinc/84/43/65/779844365.db2.gz GBXFROSSCHGWAX-SNVBAGLBSA-N 0 3 273.333 -1.366 20 0 CAADHN CCc1cc(C(=O)NCCNCC(N)=O)nn1C ZINC001153734503 779844886 /nfs/dbraw/zinc/84/48/86/779844886.db2.gz RFCAUFFMGGYGPR-UHFFFAOYSA-N 0 3 253.306 -1.213 20 0 CAADHN CCn1nc(C)c(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001153753245 779845037 /nfs/dbraw/zinc/84/50/37/779845037.db2.gz WYGGQAMFKPBVFH-UHFFFAOYSA-N 0 3 297.319 -1.879 20 0 CAADHN Cn1cc(CCC(=O)NCCN[C@@H]2CCCNC2=O)nn1 ZINC001153766161 779845217 /nfs/dbraw/zinc/84/52/17/779845217.db2.gz NPWZDMAWKUEWHF-LLVKDONJSA-N 0 3 294.359 -1.268 20 0 CAADHN Cn1cc(CCC(=O)NCCN[C@H]2CCN(C)C2=O)nn1 ZINC001153770801 779845266 /nfs/dbraw/zinc/84/52/66/779845266.db2.gz KVJVWPCJFRMJDT-NSHDSACASA-N 0 3 294.359 -1.316 20 0 CAADHN CCOc1cnc(C(=O)NCCNCC(=O)NC)cn1 ZINC001153742244 779845296 /nfs/dbraw/zinc/84/52/96/779845296.db2.gz VHFVWNOMUWWZGS-UHFFFAOYSA-N 0 3 281.316 -1.059 20 0 CAADHN CCn1nc(C)c(C(=O)NCCN[C@@H](C)C(N)=O)n1 ZINC001153752819 779845321 /nfs/dbraw/zinc/84/53/21/779845321.db2.gz LPHPRBPLLYMUKV-QMMMGPOBSA-N 0 3 268.321 -1.200 20 0 CAADHN Cc1nc[nH]c1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001153821062 779846365 /nfs/dbraw/zinc/84/63/65/779846365.db2.gz ZUXDBZNUGLEQGG-QMMMGPOBSA-N 0 3 279.300 -1.157 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCc1cn(C)nn1 ZINC001153771227 779846507 /nfs/dbraw/zinc/84/65/07/779846507.db2.gz WELVGNSKFITVOP-VIFPVBQESA-N 0 3 282.348 -1.412 20 0 CAADHN CC(C)C[C@H](C(N)=O)C(=O)NCCN[C@@H](C)C(N)=O ZINC001153782215 779846792 /nfs/dbraw/zinc/84/67/92/779846792.db2.gz MFHGPHUIBZMMNJ-DTWKUNHWSA-N 0 3 272.349 -1.286 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCc1cn(C)nn1 ZINC001153771226 779846804 /nfs/dbraw/zinc/84/68/04/779846804.db2.gz WELVGNSKFITVOP-SECBINFHSA-N 0 3 282.348 -1.412 20 0 CAADHN Cc1nc[nH]c1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001153821061 779847143 /nfs/dbraw/zinc/84/71/43/779847143.db2.gz ZUXDBZNUGLEQGG-MRVPVSSYSA-N 0 3 279.300 -1.157 20 0 CAADHN CC(C)C[C@H](C(N)=O)C(=O)NCCNCC(=O)N(C)C ZINC001153789630 779847270 /nfs/dbraw/zinc/84/72/70/779847270.db2.gz CQRUHDIZDDNGCZ-SNVBAGLBSA-N 0 3 286.376 -1.072 20 0 CAADHN CC(C)C[C@H](C(N)=O)C(=O)NCCNCC(N)=O ZINC001153790437 779847307 /nfs/dbraw/zinc/84/73/07/779847307.db2.gz WCVJAZIJYWDTMR-MRVPVSSYSA-N 0 3 258.322 -1.675 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NCCN[C@H]1CCCNC1=O ZINC001153882541 779847569 /nfs/dbraw/zinc/84/75/69/779847569.db2.gz IPXIWNFIEGIDGT-IUCAKERBSA-N 0 3 296.327 -1.976 20 0 CAADHN C[C@@H](C(=O)NCCN[C@@H]1CCNC1=O)N1CCOCC1 ZINC001153840307 779847648 /nfs/dbraw/zinc/84/76/48/779847648.db2.gz CICYWUQUJBUANR-WDEREUQCSA-N 0 3 284.360 -1.699 20 0 CAADHN O=C(C[C@@H]1CC(=O)NC1=O)NCCN[C@@H]1CCCNC1=O ZINC001153882542 779847801 /nfs/dbraw/zinc/84/78/01/779847801.db2.gz IPXIWNFIEGIDGT-RKDXNWHRSA-N 0 3 296.327 -1.976 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H](C)N1CCOCC1 ZINC001153845041 779847814 /nfs/dbraw/zinc/84/78/14/779847814.db2.gz LDVXKBOLYKICBR-MNOVXSKESA-N 0 3 286.376 -1.453 20 0 CAADHN C[C@@H](C(=O)NCCNCC(N)=O)N1CCOCC1 ZINC001153841215 779847852 /nfs/dbraw/zinc/84/78/52/779847852.db2.gz PZUQXZLFSMFGHF-VIFPVBQESA-N 0 3 258.322 -2.102 20 0 CAADHN C[C@@H](C(=O)NCCN[C@@H]1CCCNC1=O)N1CCOCC1 ZINC001153841237 779847978 /nfs/dbraw/zinc/84/79/78/779847978.db2.gz QXANLWWMBUTHAZ-NWDGAFQWSA-N 0 3 298.387 -1.309 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CC12CCOCC2 ZINC001153861325 779848112 /nfs/dbraw/zinc/84/81/12/779848112.db2.gz JWOPICZYORYCAO-VIFPVBQESA-N 0 3 298.343 -1.296 20 0 CAADHN C[C@@H](C(=O)NCCN[C@H]1CCNC1=O)N1CCOCC1 ZINC001153840304 779848149 /nfs/dbraw/zinc/84/81/49/779848149.db2.gz CICYWUQUJBUANR-QWRGUYRKSA-N 0 3 284.360 -1.699 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H](C)N1CCOCC1)C(N)=O ZINC001153847867 779848238 /nfs/dbraw/zinc/84/82/38/779848238.db2.gz FCAFHOSWBSZNIQ-QWRGUYRKSA-N 0 3 286.376 -1.323 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)N1CCOCC1 ZINC001153840585 779848359 /nfs/dbraw/zinc/84/83/59/779848359.db2.gz HAQFXUJXCXHZRN-JTQLQIEISA-N 0 3 272.349 -1.841 20 0 CAADHN C[C@@H](C(=O)NCCN[C@@H]1CCN(C)C1=O)N1CCOCC1 ZINC001153848945 779848523 /nfs/dbraw/zinc/84/85/23/779848523.db2.gz SGYQAIMEJGLLFL-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@H]1CC12CCOCC2 ZINC001153861322 779848654 /nfs/dbraw/zinc/84/86/54/779848654.db2.gz JWOPICZYORYCAO-SECBINFHSA-N 0 3 298.343 -1.296 20 0 CAADHN O=C(CNCCNC(=O)C[C@@H]1CC(=O)NC1=O)NC1CC1 ZINC001153882586 779849444 /nfs/dbraw/zinc/84/94/44/779849444.db2.gz JTZLTNIJFXXHCU-MRVPVSSYSA-N 0 3 296.327 -1.976 20 0 CAADHN Cn1cncc1CNCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153887173 779849724 /nfs/dbraw/zinc/84/97/24/779849724.db2.gz PMWRNSPAJJABRI-SECBINFHSA-N 0 3 293.327 -1.321 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CC(=O)NC1=O)C(N)=O ZINC001153883088 779849780 /nfs/dbraw/zinc/84/97/80/779849780.db2.gz VSKZROFWMOSBLT-BQBZGAKWSA-N 0 3 270.289 -2.381 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153886833 779849941 /nfs/dbraw/zinc/84/99/41/779849941.db2.gz JVIHAIQGAFZTIY-HTQZYQBOSA-N 0 3 284.316 -2.121 20 0 CAADHN O=C(C[C@H]1CC(=O)NC1=O)NCCN[C@@H]1CCNC1=O ZINC001153882851 779849966 /nfs/dbraw/zinc/84/99/66/779849966.db2.gz QALOQAZWGYCWDJ-JGVFFNPUSA-N 0 3 282.300 -2.367 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153882874 779849992 /nfs/dbraw/zinc/84/99/92/779849992.db2.gz QINWTAZIECXERN-ZETCQYMHSA-N 0 3 270.289 -2.509 20 0 CAADHN Cn1cc(CNCCNC(=O)C[C@@H]2CC(=O)NC2=O)cn1 ZINC001153886946 779850012 /nfs/dbraw/zinc/85/00/12/779850012.db2.gz LPOCYKAIOLNXFL-SNVBAGLBSA-N 0 3 293.327 -1.321 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CC(=O)NC1=O)C(=O)N(C)C ZINC001153886421 779850070 /nfs/dbraw/zinc/85/00/70/779850070.db2.gz AWWCYHQGTZYFHV-BDAKNGLRSA-N 0 3 298.343 -1.778 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@H]1CC(=O)NC1=O)C(N)=O ZINC001153886746 779850098 /nfs/dbraw/zinc/85/00/98/779850098.db2.gz ICWDOUFLPRRYDP-YUMQZZPRSA-N 0 3 284.316 -1.991 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153883217 779850113 /nfs/dbraw/zinc/85/01/13/779850113.db2.gz ZJIBOVFTHPPRHS-VIFPVBQESA-N 0 3 298.343 -1.730 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001153882873 779850129 /nfs/dbraw/zinc/85/01/29/779850129.db2.gz QINWTAZIECXERN-SSDOTTSWSA-N 0 3 270.289 -2.509 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157526295 779907606 /nfs/dbraw/zinc/90/76/06/779907606.db2.gz FGEPYWXIXHGQJR-XTZNXHDOSA-N 0 3 277.365 -1.053 20 0 CAADHN Cn1nccc1CNCCNC(=O)C[C@H]1CC(=O)NC1=O ZINC001153890419 779851364 /nfs/dbraw/zinc/85/13/64/779851364.db2.gz HXXRAEULMHACCU-VIFPVBQESA-N 0 3 293.327 -1.321 20 0 CAADHN C[C@@]1(CCC(=O)NCCNCC(N)=O)CCC(=O)N1 ZINC001153911090 779851390 /nfs/dbraw/zinc/85/13/90/779851390.db2.gz FYUSYZYKFOUHSN-GFCCVEGCSA-N 0 3 270.333 -1.374 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](C)c1cnn(C)c1 ZINC001154008187 779852173 /nfs/dbraw/zinc/85/21/73/779852173.db2.gz XYILFDPDEDGMOY-SECBINFHSA-N 0 3 267.333 -1.025 20 0 CAADHN C[C@H](C(=O)NCCNCC(N)=O)c1cnn(C)c1 ZINC001154025935 779852215 /nfs/dbraw/zinc/85/22/15/779852215.db2.gz WDEXZVTXIOQKCY-QMMMGPOBSA-N 0 3 253.306 -1.285 20 0 CAADHN CC(=O)NCCCNCC(=O)NCC(=O)N1CCCC1 ZINC001154048857 779852387 /nfs/dbraw/zinc/85/23/87/779852387.db2.gz BYSIWICVLLZVEE-UHFFFAOYSA-N 0 3 284.360 -1.159 20 0 CAADHN CC(=O)NCCCNCC(=O)N[C@H](C)C(=O)N(C)C ZINC001154048832 779852522 /nfs/dbraw/zinc/85/25/22/779852522.db2.gz BDKDPJYQULYARB-SECBINFHSA-N 0 3 272.349 -1.305 20 0 CAADHN CC(=O)NCC(=O)NCCCNCc1cnnn1C ZINC001154203906 779854790 /nfs/dbraw/zinc/85/47/90/779854790.db2.gz AWLCAWXXLVUIOO-UHFFFAOYSA-N 0 3 268.321 -1.453 20 0 CAADHN COc1ccc(CNCCCNC(=O)CNC(N)=O)nn1 ZINC001154457330 779859047 /nfs/dbraw/zinc/85/90/47/779859047.db2.gz FLIHLFCYAGSEKE-UHFFFAOYSA-N 0 3 296.331 -1.251 20 0 CAADHN COc1cncc(CNCCCNC(=O)CNC(N)=O)n1 ZINC001154463865 779859178 /nfs/dbraw/zinc/85/91/78/779859178.db2.gz JKMXEJHMGLRTGY-UHFFFAOYSA-N 0 3 296.331 -1.251 20 0 CAADHN NC(=O)NCC(=O)NCCCNCc1cnns1 ZINC001154463894 779859395 /nfs/dbraw/zinc/85/93/95/779859395.db2.gz LBIDBAACRCLNRX-UHFFFAOYSA-N 0 3 272.334 -1.198 20 0 CAADHN Cn1ccnc1CNCCCNC(=O)Cn1cnnn1 ZINC001154499478 779860142 /nfs/dbraw/zinc/86/01/42/779860142.db2.gz NZHPFHCRBBRISK-UHFFFAOYSA-N 0 3 278.320 -1.297 20 0 CAADHN CCN(CCOCCOC)[C@H](C)CNC(=O)C(N)=O ZINC001154953144 779868174 /nfs/dbraw/zinc/86/81/74/779868174.db2.gz WJAGARDJUKVOHO-SNVBAGLBSA-N 0 3 275.349 -1.039 20 0 CAADHN Cn1nnc(CNCCCNC(=O)[C@@H]2CCCN2C)n1 ZINC001155791550 779877712 /nfs/dbraw/zinc/87/77/12/779877712.db2.gz WNOMMYGSMVOGRV-JTQLQIEISA-N 0 3 281.364 -1.100 20 0 CAADHN CCn1nncc1CNCCCNC(=O)CC(N)=O ZINC001156011678 779880088 /nfs/dbraw/zinc/88/00/88/779880088.db2.gz AJZXNLDJFJUZKU-UHFFFAOYSA-N 0 3 268.321 -1.231 20 0 CAADHN COc1ccc(CNCCCNC(=O)CC(N)=O)nn1 ZINC001156012053 779881333 /nfs/dbraw/zinc/88/13/33/779881333.db2.gz JWISAVNWPDUGQS-UHFFFAOYSA-N 0 3 281.316 -1.044 20 0 CAADHN Cc1cc(NC(=O)CNCCCNC(=O)CC(N)=O)no1 ZINC001156012123 779881468 /nfs/dbraw/zinc/88/14/68/779881468.db2.gz MZPOXQUBBKUJIT-UHFFFAOYSA-N 0 3 297.315 -1.107 20 0 CAADHN NC(=O)CC(=O)NCCCNCC(=O)Nc1ccon1 ZINC001156028926 779881824 /nfs/dbraw/zinc/88/18/24/779881824.db2.gz GKIJKLVRKVKHKY-UHFFFAOYSA-N 0 3 283.288 -1.416 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1nnc[n-]1 ZINC001156336710 779884360 /nfs/dbraw/zinc/88/43/60/779884360.db2.gz QFNGEJIGEICGMP-SECBINFHSA-N 0 3 282.348 -1.032 20 0 CAADHN CN(c1cccc(C(N)=O)n1)S(=O)(=O)CCN ZINC001156237047 779884458 /nfs/dbraw/zinc/88/44/58/779884458.db2.gz VOZACOBQOPUKAR-UHFFFAOYSA-N 0 3 258.303 -1.095 20 0 CAADHN CN(c1ncnc(Cl)c1C(N)=O)S(=O)(=O)CCN ZINC001156236075 779884547 /nfs/dbraw/zinc/88/45/47/779884547.db2.gz DKBWGLHRJGOIDQ-UHFFFAOYSA-N 0 3 293.736 -1.046 20 0 CAADHN COC(=O)c1cnc(N(C)S(=O)(=O)CCN)cn1 ZINC001156231635 779884765 /nfs/dbraw/zinc/88/47/65/779884765.db2.gz KGIRWEWNPOTSIR-UHFFFAOYSA-N 0 3 274.302 -1.012 20 0 CAADHN O=C(CCc1nnc[n-]1)NCCC[NH2+][C@@H]1CCNC1=O ZINC001156328454 779884949 /nfs/dbraw/zinc/88/49/49/779884949.db2.gz UIODSFDDZNWVAH-SECBINFHSA-N 0 3 280.332 -1.278 20 0 CAADHN NC(=O)C[NH2+]CCCNC(=O)CCc1nnc[n-]1 ZINC001156328242 779885110 /nfs/dbraw/zinc/88/51/10/779885110.db2.gz KRWQFDIZTIUDMS-UHFFFAOYSA-N 0 3 254.294 -1.682 20 0 CAADHN Cn1nncc1CNCCCNC(=O)CN1CCOCC1 ZINC001156754424 779888783 /nfs/dbraw/zinc/88/87/83/779888783.db2.gz ULTRHZJNNOYRTG-UHFFFAOYSA-N 0 3 296.375 -1.257 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@H]1COCCN1C ZINC001156798934 779889500 /nfs/dbraw/zinc/88/95/00/779889500.db2.gz GYYVXWKZVACUHD-LBPRGKRZSA-N 0 3 296.375 -1.258 20 0 CAADHN Cn1nncc1CNCCCNC(=O)CN1CN=NC1=O ZINC001156879147 779891431 /nfs/dbraw/zinc/89/14/31/779891431.db2.gz DBYNOTNRNKDRLM-UHFFFAOYSA-N 0 3 294.319 -1.592 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001157004752 779893945 /nfs/dbraw/zinc/89/39/45/779893945.db2.gz CGULKPUOJKNBLQ-MRVPVSSYSA-N 0 3 282.300 -1.873 20 0 CAADHN CN1C(=O)CN(CC(=O)N2CC(N[C@@H]3CCOC3)C2)C1=O ZINC001157012113 779893955 /nfs/dbraw/zinc/89/39/55/779893955.db2.gz CNQLHRUHOLZNPU-SECBINFHSA-N 0 3 296.327 -1.530 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N1CC(N[C@H]2CCOC2)C1 ZINC001157004753 779893966 /nfs/dbraw/zinc/89/39/66/779893966.db2.gz CGULKPUOJKNBLQ-QMMMGPOBSA-N 0 3 282.300 -1.873 20 0 CAADHN O=C(Cn1cncn1)N1CC(N[C@H]2CCOC2)C1 ZINC001157007380 779894047 /nfs/dbraw/zinc/89/40/47/779894047.db2.gz WKAQVAPCIYMQET-VIFPVBQESA-N 0 3 251.290 -1.133 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cccnc1C(N)=O ZINC001157004090 779894245 /nfs/dbraw/zinc/89/42/45/779894245.db2.gz OOORLLIEJDBRGI-QMMMGPOBSA-N 0 3 266.301 -1.167 20 0 CAADHN C[C@H](NC(N)=O)C(=O)NCCCNCc1cnnn1C ZINC001157044313 779895025 /nfs/dbraw/zinc/89/50/25/779895025.db2.gz KHTVHEIEQDMWGT-QMMMGPOBSA-N 0 3 283.336 -1.532 20 0 CAADHN CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1cn[n-]n1 ZINC001157344399 779901094 /nfs/dbraw/zinc/90/10/94/779901094.db2.gz KEUPSVJMPLOVKD-ZETCQYMHSA-N 0 3 254.294 -1.222 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@H]1COC(=O)N1 ZINC001157360632 779901531 /nfs/dbraw/zinc/90/15/31/779901531.db2.gz MYLJKJSQNMAFBC-SECBINFHSA-N 0 3 282.304 -1.481 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@H]1COC(=O)N1 ZINC001157360633 779902168 /nfs/dbraw/zinc/90/21/68/779902168.db2.gz MYLJKJSQNMAFBC-VIFPVBQESA-N 0 3 282.304 -1.481 20 0 CAADHN Cc1cc(N(C(=N)N)C(=O)[C@H]2COC3(CNC3)CN2)n[nH]1 ZINC001157439898 779903487 /nfs/dbraw/zinc/90/34/87/779903487.db2.gz PPXLUJMOEOPBFN-MRVPVSSYSA-N 0 3 293.331 -1.725 20 0 CAADHN C[C@@H]1O[C@@H](OCCNC(=O)C2(N)CC2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157423674 779903603 /nfs/dbraw/zinc/90/36/03/779903603.db2.gz NMZNRIBYYWUYCL-LOLPMWEVSA-N 0 3 290.316 -2.562 20 0 CAADHN C[C@@H](N)C(=O)NCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC001157421905 779903615 /nfs/dbraw/zinc/90/36/15/779903615.db2.gz CEQBHRLDKDIDDH-HHMWSCPNSA-N 0 3 278.305 -2.706 20 0 CAADHN CN1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001157450485 779904622 /nfs/dbraw/zinc/90/46/22/779904622.db2.gz COUKBKYICWDCEH-JTQLQIEISA-N 0 3 254.334 -1.909 20 0 CAADHN CC(C)N(C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001157485416 779904679 /nfs/dbraw/zinc/90/46/79/779904679.db2.gz MQCCUPTYBOOQQR-YUMQZZPRSA-N 0 3 258.322 -1.439 20 0 CAADHN CN1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1=O ZINC001157486300 779905296 /nfs/dbraw/zinc/90/52/96/779905296.db2.gz VKDKAVIULBRTJD-VIFPVBQESA-N 0 3 268.317 -2.383 20 0 CAADHN CNC(=O)C1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001157495322 779905709 /nfs/dbraw/zinc/90/57/09/779905709.db2.gz ISODKCPFKRNBOP-LLVKDONJSA-N 0 3 296.371 -1.699 20 0 CAADHN Cn1cnc(C(=O)NCCCNCc2cnnn2C)n1 ZINC001157493171 779905892 /nfs/dbraw/zinc/90/58/92/779905892.db2.gz BXRGTVWYAZHKDO-UHFFFAOYSA-N 0 3 278.320 -1.147 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2CCn3cnnc3C2)C1=O ZINC001157507655 779906476 /nfs/dbraw/zinc/90/64/76/779906476.db2.gz KJMKDIRWZIEQFE-JTQLQIEISA-N 0 3 292.343 -1.040 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CCn2cnnc2C1 ZINC001157506893 779906750 /nfs/dbraw/zinc/90/67/50/779906750.db2.gz AMCNXKWGVIJUJC-JTQLQIEISA-N 0 3 275.316 -1.076 20 0 CAADHN NC[C@H](N)C(=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157521696 779906823 /nfs/dbraw/zinc/90/68/23/779906823.db2.gz JDEKBTKARJEZLU-YFKPBYRVSA-N 0 3 278.238 -1.075 20 0 CAADHN COC(=O)N1CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC1 ZINC001157508415 779906843 /nfs/dbraw/zinc/90/68/43/779906843.db2.gz UICGELBGCNMINO-ZRNGKTOUSA-N 0 3 291.373 -1.007 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCn2cnnc2C1 ZINC001157507740 779906988 /nfs/dbraw/zinc/90/69/88/779906988.db2.gz LZRRCOVQTBAWLR-VIFPVBQESA-N 0 3 261.289 -1.087 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCn2cnnc2C1 ZINC001157507740 779906990 /nfs/dbraw/zinc/90/69/90/779906990.db2.gz LZRRCOVQTBAWLR-VIFPVBQESA-N 0 3 261.289 -1.087 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)CC(F)(F)F ZINC001157518907 779907043 /nfs/dbraw/zinc/90/70/43/779907043.db2.gz AMPGYLQFKOHWRX-WDSKDSINSA-N 0 3 298.265 -1.286 20 0 CAADHN Cc1cn(CC(=O)N2C[C@@H](F)[C@@H](N)C2)c(=O)[nH]c1=O ZINC001157529913 779907756 /nfs/dbraw/zinc/90/77/56/779907756.db2.gz ASJZJTCUMHZUIP-SFYZADRCSA-N 0 3 270.264 -1.235 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157526322 779907817 /nfs/dbraw/zinc/90/78/17/779907817.db2.gz FGEPYWXIXHGQJR-YPMLDQLKSA-N 0 3 277.365 -1.053 20 0 CAADHN C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157545524 779909186 /nfs/dbraw/zinc/90/91/86/779909186.db2.gz VGUDTMDQGTVHGP-DAORTFEHSA-N 0 3 273.308 -1.375 20 0 CAADHN CC(=O)N[C@H](C)C(=O)O[C@H](C)C(=O)N1C[C@@H](F)[C@@H](N)C1 ZINC001157544270 779909613 /nfs/dbraw/zinc/90/96/13/779909613.db2.gz AQXKDFRIEYOGEG-ZXZZCXTASA-N 0 3 289.307 -1.050 20 0 CAADHN N[C@H]1CN(C(=O)c2nnn3c2CNCC3)C[C@H]1F ZINC001157560252 779909718 /nfs/dbraw/zinc/90/97/18/779909718.db2.gz QZELJRWBDVNZQP-RQJHMYQMSA-N 0 3 254.269 -1.498 20 0 CAADHN COC(=O)[C@@H](N)CCC(=O)N(C)C[C@@H]1CNCCO1 ZINC001157715561 779910763 /nfs/dbraw/zinc/91/07/63/779910763.db2.gz GRQXSFHHDCNTIK-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN CCNC(=O)CN(C)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001157679349 779910864 /nfs/dbraw/zinc/91/08/64/779910864.db2.gz TUQLKKXEWDNHSA-SECBINFHSA-N 0 3 270.333 -2.089 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCOCC(F)(F)C1 ZINC001157707970 779910897 /nfs/dbraw/zinc/91/08/97/779910897.db2.gz CVRCTVDMJQZTOO-SECBINFHSA-N 0 3 291.298 -1.189 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157731096 779911698 /nfs/dbraw/zinc/91/16/98/779911698.db2.gz RIPKECGOELZSKL-MXWKQRLJSA-N 0 3 287.335 -1.504 20 0 CAADHN C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N(C)C[C@H]1CNCCO1 ZINC001157721468 779911765 /nfs/dbraw/zinc/91/17/65/779911765.db2.gz YDAJEIIHLRQWCT-LZQZFOIKSA-N 0 3 299.371 -1.435 20 0 CAADHN C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N(C)C[C@@H]1CNCCO1 ZINC001157721469 779911775 /nfs/dbraw/zinc/91/17/75/779911775.db2.gz YDAJEIIHLRQWCT-RMPHRYRLSA-N 0 3 299.371 -1.435 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157729873 779911846 /nfs/dbraw/zinc/91/18/46/779911846.db2.gz IPDNGRPYGFVHCQ-LPEHRKFASA-N 0 3 290.339 -1.059 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1C[C@H](CO)C[C@H](F)C1 ZINC001157731097 779912262 /nfs/dbraw/zinc/91/22/62/779912262.db2.gz RIPKECGOELZSKL-VWYCJHECSA-N 0 3 287.335 -1.504 20 0 CAADHN C[C@H]1C[C@@H](CO)N(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001157853630 779914993 /nfs/dbraw/zinc/91/49/93/779914993.db2.gz INRSAZWGWCPPGF-DCAQKATOSA-N 0 3 269.345 -1.454 20 0 CAADHN C[C@H]1C[C@@H](CO)N(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001157853380 779915134 /nfs/dbraw/zinc/91/51/34/779915134.db2.gz AQLGDBYEZQYZOD-LPEHRKFASA-N 0 3 272.349 -1.009 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCNC(=O)C1 ZINC001157891232 779916069 /nfs/dbraw/zinc/91/60/69/779916069.db2.gz WASDGZMUNVNOTB-YUMQZZPRSA-N 0 3 299.331 -2.958 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CCCNC(=O)C1 ZINC001157889066 779916185 /nfs/dbraw/zinc/91/61/85/779916185.db2.gz IIZFUGHFECTZRF-SECBINFHSA-N 0 3 251.290 -1.372 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2CCCNC(=O)C2)C1=O ZINC001157891373 779916455 /nfs/dbraw/zinc/91/64/55/779916455.db2.gz XZMMRDYDMSIVGP-JTQLQIEISA-N 0 3 282.344 -1.325 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2CC[C@@H](CO)[C@H](O)C2)C1=O ZINC001157902425 779916707 /nfs/dbraw/zinc/91/67/07/779916707.db2.gz BEEWBYYQZRYZNY-SDDRHHMPSA-N 0 3 299.371 -1.472 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157905991 779917457 /nfs/dbraw/zinc/91/74/57/779917457.db2.gz XXQPHOJAAULYMZ-ADEWGFFLSA-N 0 3 282.344 -1.508 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157905994 779917543 /nfs/dbraw/zinc/91/75/43/779917543.db2.gz XXQPHOJAAULYMZ-ZMLRMANQSA-N 0 3 282.344 -1.508 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H]1C ZINC001157922044 779917603 /nfs/dbraw/zinc/91/76/03/779917603.db2.gz CDELJCNWSMJALX-FXQIFTODSA-N 0 3 256.306 -1.685 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157905886 779917719 /nfs/dbraw/zinc/91/77/19/779917719.db2.gz XRMRQFWHPMBFCK-GARJFASQSA-N 0 3 285.344 -2.482 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157905993 779917830 /nfs/dbraw/zinc/91/78/30/779917830.db2.gz XXQPHOJAAULYMZ-USWWRNFRSA-N 0 3 282.344 -1.508 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157935816 779918445 /nfs/dbraw/zinc/91/84/45/779918445.db2.gz WKQKEDIADASYDY-VWYCJHECSA-N 0 3 285.344 -2.482 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157935145 779918662 /nfs/dbraw/zinc/91/86/62/779918662.db2.gz SFQHKMQKHMYNJE-DLOVCJGASA-N 0 3 282.344 -1.508 20 0 CAADHN C[C@H](CC(=O)NCCCNCc1cnnn1C)NC(N)=O ZINC001157938899 779918723 /nfs/dbraw/zinc/91/87/23/779918723.db2.gz HEKVTWFUPFOVBJ-SECBINFHSA-N 0 3 297.363 -1.142 20 0 CAADHN C[C@@H](CC(=O)NCCCNCc1cnnn1C)NC(N)=O ZINC001157938901 779918800 /nfs/dbraw/zinc/91/88/00/779918800.db2.gz HEKVTWFUPFOVBJ-VIFPVBQESA-N 0 3 297.363 -1.142 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157935147 779918929 /nfs/dbraw/zinc/91/89/29/779918929.db2.gz SFQHKMQKHMYNJE-ZMLRMANQSA-N 0 3 282.344 -1.508 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2CC[C@@H](O)[C@H](CO)C2)C1=O ZINC001157933779 779919100 /nfs/dbraw/zinc/91/91/00/779919100.db2.gz CYSSHNNLNVWMBL-SDDRHHMPSA-N 0 3 299.371 -1.472 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001157946870 779920844 /nfs/dbraw/zinc/92/08/44/779920844.db2.gz PCABWSPBFBVBIX-SCRDCRAPSA-N 0 3 296.371 -1.118 20 0 CAADHN C[C@]1(CO)CN(C(=O)[C@@H]2COC3(CNC3)CN2)CC[C@H]1O ZINC001157947535 779921135 /nfs/dbraw/zinc/92/11/35/779921135.db2.gz UXBYNJLIIHEACC-DMDPSCGWSA-N 0 3 299.371 -2.091 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@H](O)[C@](C)(CO)C1 ZINC001157946867 779921154 /nfs/dbraw/zinc/92/11/54/779921154.db2.gz PCABWSPBFBVBIX-OBJOEFQTSA-N 0 3 296.371 -1.118 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001157947531 779921166 /nfs/dbraw/zinc/92/11/66/779921166.db2.gz UTIWUWADMGRZRI-DWIHWTBUSA-N 0 3 292.401 -1.326 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001157946872 779921200 /nfs/dbraw/zinc/92/12/00/779921200.db2.gz PCABWSPBFBVBIX-SGMGOOAPSA-N 0 3 296.371 -1.118 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CC[C@H](O)[C@](C)(CO)C1 ZINC001157947532 779921456 /nfs/dbraw/zinc/92/14/56/779921456.db2.gz UTIWUWADMGRZRI-QNFOMXJPSA-N 0 3 292.401 -1.326 20 0 CAADHN CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001157998669 779923167 /nfs/dbraw/zinc/92/31/67/779923167.db2.gz YCIFVDPWQMPCDE-WDEREUQCSA-N 0 3 295.343 -1.357 20 0 CAADHN CCOC(=O)[C@H]1CNCCN1C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001157998666 779923196 /nfs/dbraw/zinc/92/31/96/779923196.db2.gz YCIFVDPWQMPCDE-GHMZBOCLSA-N 0 3 295.343 -1.357 20 0 CAADHN C[C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)C[C@@H]1O ZINC001157996492 779923261 /nfs/dbraw/zinc/92/32/61/779923261.db2.gz CLGCFBKXFKMGMW-AEJSXWLSSA-N 0 3 255.318 -1.844 20 0 CAADHN CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001157998667 779923302 /nfs/dbraw/zinc/92/33/02/779923302.db2.gz YCIFVDPWQMPCDE-MNOVXSKESA-N 0 3 295.343 -1.357 20 0 CAADHN Cc1nc(CCN(C)C(=O)[C@H]2COC3(CNC3)CN2)no1 ZINC001157983628 779923938 /nfs/dbraw/zinc/92/39/38/779923938.db2.gz RUBZACPWZNYBTJ-SNVBAGLBSA-N 0 3 295.343 -1.291 20 0 CAADHN C[C@@]1(O)CCN(C(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001157996870 779923945 /nfs/dbraw/zinc/92/39/45/779923945.db2.gz HXFDYEVYQAWYMG-LDYMZIIASA-N 0 3 258.322 -1.255 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091887 779925749 /nfs/dbraw/zinc/92/57/49/779925749.db2.gz JFKUJGQDCYQEDQ-WRWORJQWSA-N 0 3 294.319 -3.240 20 0 CAADHN CCn1nncc1CNCCCNC(=O)Cn1ncnn1 ZINC001158163688 779929485 /nfs/dbraw/zinc/92/94/85/779929485.db2.gz WQNZGIWSMPNJJH-UHFFFAOYSA-N 0 3 293.335 -1.419 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCC2(COC2)C1 ZINC001158167996 779929531 /nfs/dbraw/zinc/92/95/31/779929531.db2.gz JTYLJRZXQWDKHO-SNVBAGLBSA-N 0 3 267.329 -1.434 20 0 CAADHN O=C(Cn1ncnn1)NCCCNCc1cnns1 ZINC001158170856 779929684 /nfs/dbraw/zinc/92/96/84/779929684.db2.gz WQCFRVZKLPBVHS-UHFFFAOYSA-N 0 3 282.333 -1.179 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CC2(C1)CCCO2 ZINC001158236234 779931073 /nfs/dbraw/zinc/93/10/73/779931073.db2.gz ZEXQEKGXNUKCLV-SNVBAGLBSA-N 0 3 267.329 -1.292 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC2(C1)CCCO2 ZINC001158240037 779931547 /nfs/dbraw/zinc/93/15/47/779931547.db2.gz HZHRKTGIOFNWHT-IUCAKERBSA-N 0 3 298.343 -1.915 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCS(=O)(=O)CC1 ZINC001158369420 779933344 /nfs/dbraw/zinc/93/33/44/779933344.db2.gz MJJBMEKHMCFNGQ-VIFPVBQESA-N 0 3 272.330 -1.464 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158415747 779934443 /nfs/dbraw/zinc/93/44/43/779934443.db2.gz NSZVSFSOFQWQQA-FXQIFTODSA-N 0 3 251.294 -1.968 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001158415747 779934450 /nfs/dbraw/zinc/93/44/50/779934450.db2.gz NSZVSFSOFQWQQA-FXQIFTODSA-N 0 3 251.294 -1.968 20 0 CAADHN CN(CCO)C[C@H]1CCCCN1C(=O)[C@H]1CNC(=O)N1 ZINC001158427185 779934836 /nfs/dbraw/zinc/93/48/36/779934836.db2.gz SWNJAAQDMWYOTP-GHMZBOCLSA-N 0 3 284.360 -1.027 20 0 CAADHN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H](N)CN)C2 ZINC001158414664 779935230 /nfs/dbraw/zinc/93/52/30/779935230.db2.gz HDRXAGZROOEDNB-OPQQBVKSSA-N 0 3 285.344 -1.157 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCCC(=O)CC1 ZINC001158660412 779938001 /nfs/dbraw/zinc/93/80/01/779938001.db2.gz RWUJJSPMTQQDRK-NSHDSACASA-N 0 3 267.329 -1.102 20 0 CAADHN COCCN1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001158602655 779938105 /nfs/dbraw/zinc/93/81/05/779938105.db2.gz ALUQAUUAZBSBOE-LBPRGKRZSA-N 0 3 298.387 -1.893 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567420 779938239 /nfs/dbraw/zinc/93/82/39/779938239.db2.gz HWZWDTQOZTZSLP-YIZRAAEISA-N 0 3 297.338 -1.395 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567420 779938242 /nfs/dbraw/zinc/93/82/42/779938242.db2.gz HWZWDTQOZTZSLP-YIZRAAEISA-N 0 3 297.338 -1.395 20 0 CAADHN CN1CC[C@@H]2CN(C(=O)[C@@H](CO)NC(N)=O)C[C@@H]21 ZINC001158784342 779938904 /nfs/dbraw/zinc/93/89/04/779938904.db2.gz BFFKYBBYHUQDCU-HLTSFMKQSA-N 0 3 256.306 -1.822 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(C)C[C@H](O)CO ZINC001158798115 779938957 /nfs/dbraw/zinc/93/89/57/779938957.db2.gz FIARJOPEMPKYLW-QXEWZRGKSA-N 0 3 275.349 -1.712 20 0 CAADHN CN1CCO[C@H]2CN(C(=O)[C@@H](N)CC[S@](C)=O)C[C@H]21 ZINC001158802900 779939822 /nfs/dbraw/zinc/93/98/22/779939822.db2.gz ARFOWUOGCMDFQD-BIOBGPJSSA-N 0 3 289.401 -1.376 20 0 CAADHN C[C@@H](N)C(=O)N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001158821191 779940173 /nfs/dbraw/zinc/94/01/73/779940173.db2.gz CAYAJTDNDAKPLQ-SNVBAGLBSA-N 0 3 294.359 -1.200 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(C)C[C@@H](O)CO ZINC001158799368 779940187 /nfs/dbraw/zinc/94/01/87/779940187.db2.gz MXKUECLTHWVLIB-RNJXMRFFSA-N 0 3 290.320 -3.495 20 0 CAADHN CN1CCO[C@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]21 ZINC001158803781 779940456 /nfs/dbraw/zinc/94/04/56/779940456.db2.gz IIMUKCMMYFOMBU-UTUOFQBUSA-N 0 3 296.371 -2.142 20 0 CAADHN Cc1cc(C)nc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)c1 ZINC001158970376 779942095 /nfs/dbraw/zinc/94/20/95/779942095.db2.gz UBKDKNLCSPXIQW-WECGXBHGSA-N 0 3 284.312 -1.090 20 0 CAADHN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)CN)C[C@@H]21 ZINC001159046290 779943198 /nfs/dbraw/zinc/94/31/98/779943198.db2.gz HFIUWFGGNUOSNN-WISYIIOYSA-N 0 3 298.387 -1.386 20 0 CAADHN CN1CCN(CC2CN(C(=O)C[C@@H]3CC(=O)N3)C2)CC1 ZINC001159366248 779947549 /nfs/dbraw/zinc/94/75/49/779947549.db2.gz MGOTZJWFLMUEIN-LBPRGKRZSA-N 0 3 280.372 -1.029 20 0 CAADHN NC[C@H](N)C(=O)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159688484 779950179 /nfs/dbraw/zinc/95/01/79/779950179.db2.gz RFXMQPRRGRBJHU-QUNCOHTASA-N 0 3 266.345 -1.114 20 0 CAADHN C[C@H](Nc1ccc(S(N)(=O)=O)nn1)[C@@H]1CNCCO1 ZINC001159502955 779950419 /nfs/dbraw/zinc/95/04/19/779950419.db2.gz REMOMUGYAYJSFX-YUMQZZPRSA-N 0 3 287.345 -1.087 20 0 CAADHN Cn1nncc1CNCCCNC(=O)C[C@@H]1CCNC1=O ZINC001159798302 779951348 /nfs/dbraw/zinc/95/13/48/779951348.db2.gz BDTOIEFUEMFURQ-JTQLQIEISA-N 0 3 294.359 -1.063 20 0 CAADHN CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@@H](N)CN)CC2 ZINC001159862916 779952571 /nfs/dbraw/zinc/95/25/71/779952571.db2.gz HFLJWDIMGBIJFH-UWVGGRQHSA-N 0 3 268.361 -1.011 20 0 CAADHN CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H](C)N)C2 ZINC001159929383 779952852 /nfs/dbraw/zinc/95/28/52/779952852.db2.gz IALOJCJFCHSLNA-SSDOTTSWSA-N 0 3 266.305 -1.396 20 0 CAADHN CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H](N)CN)C2 ZINC001160171744 779955733 /nfs/dbraw/zinc/95/57/33/779955733.db2.gz QQTZVFFNNNZLAR-CABZTGNLSA-N 0 3 283.332 -2.778 20 0 CAADHN CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)C1(N)CC1)C2 ZINC001160171522 779956107 /nfs/dbraw/zinc/95/61/07/779956107.db2.gz NKUIMFAJBXVBBW-GFCCVEGCSA-N 0 3 280.328 -1.573 20 0 CAADHN CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)C1(N)CC1)C2 ZINC001160171523 779956303 /nfs/dbraw/zinc/95/63/03/779956303.db2.gz NKUIMFAJBXVBBW-LBPRGKRZSA-N 0 3 280.328 -1.573 20 0 CAADHN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H](N)CN)[C@@H]2C1 ZINC001160294919 779957546 /nfs/dbraw/zinc/95/75/46/779957546.db2.gz HPTTYYFRLRMCBW-NNYUYHANSA-N 0 3 298.387 -1.197 20 0 CAADHN Cn1nncc1CNCCCNC(=O)C(C)(C)C(N)=O ZINC001160402900 779958687 /nfs/dbraw/zinc/95/86/87/779958687.db2.gz GZJVVRKXHKCRRW-UHFFFAOYSA-N 0 3 282.348 -1.078 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCNC(=O)[C@@H]1C ZINC001160450230 779959766 /nfs/dbraw/zinc/95/97/66/779959766.db2.gz CKHSHBBNBBEWCB-QXEWZRGKSA-N 0 3 284.360 -1.177 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCN(C(N)=O)CC1 ZINC001160456683 779961104 /nfs/dbraw/zinc/96/11/04/779961104.db2.gz OQSQIJZFTFHYKQ-DCXZOGHSSA-N 0 3 276.362 -1.695 20 0 CAADHN CCN(CCC(N)=O)C(=O)[C@@H](N)CC[S@](C)=O ZINC001160470714 779961117 /nfs/dbraw/zinc/96/11/17/779961117.db2.gz FQFVVIZHAWBKPE-QPFGOUBPSA-N 0 3 263.363 -1.194 20 0 CAADHN CCN(CCC(N)=O)C(=O)[C@H](N)CCCNC(N)=O ZINC001160470552 779961488 /nfs/dbraw/zinc/96/14/88/779961488.db2.gz ALUPYNNPUMBIOK-MRVPVSSYSA-N 0 3 273.337 -1.514 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001160452003 779961602 /nfs/dbraw/zinc/96/16/02/779961602.db2.gz WPIAPZARLWKYCT-IONNQARKSA-N 0 3 251.290 -1.374 20 0 CAADHN NC(=O)N1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001160456756 779961615 /nfs/dbraw/zinc/96/16/15/779961615.db2.gz QSOMCGUMULKJAO-SECBINFHSA-N 0 3 283.332 -2.460 20 0 CAADHN CC(C)NC(=O)CN1CCN(C(=O)[C@@H](N)CN)CC1 ZINC001160485674 779962919 /nfs/dbraw/zinc/96/29/19/779962919.db2.gz YXGQCUCENRQVKR-JTQLQIEISA-N 0 3 271.365 -2.059 20 0 CAADHN COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H](C)N ZINC001160493996 779963671 /nfs/dbraw/zinc/96/36/71/779963671.db2.gz PKCQSXUXXNLOOR-ATRFCDNQSA-N 0 3 276.314 -1.050 20 0 CAADHN COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)CN ZINC001160495415 779963903 /nfs/dbraw/zinc/96/39/03/779963903.db2.gz YFMKOAQUORKQIR-BBVRLYRLSA-N 0 3 291.329 -2.112 20 0 CAADHN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H](C)N ZINC001160493999 779964123 /nfs/dbraw/zinc/96/41/23/779964123.db2.gz PKCQSXUXXNLOOR-GKROBHDKSA-N 0 3 276.314 -1.050 20 0 CAADHN CN(C)C(=O)CN(C)C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001160503779 779964425 /nfs/dbraw/zinc/96/44/25/779964425.db2.gz FZOKTZKIGCXIKT-VIFPVBQESA-N 0 3 270.333 -2.137 20 0 CAADHN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H](N)CN ZINC001160495418 779964455 /nfs/dbraw/zinc/96/44/55/779964455.db2.gz YFMKOAQUORKQIR-VMHSAVOQSA-N 0 3 291.329 -2.112 20 0 CAADHN COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](C)N ZINC001160494000 779964463 /nfs/dbraw/zinc/96/44/63/779964463.db2.gz PKCQSXUXXNLOOR-JKMUOGBPSA-N 0 3 276.314 -1.050 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CC(CO)C2)COC1(C)C ZINC001160531179 779964986 /nfs/dbraw/zinc/96/49/86/779964986.db2.gz JJCDOMYIIRNQIE-WPRPVWTQSA-N 0 3 285.344 -1.252 20 0 CAADHN COC(=O)CN1CCN(C(=O)[C@H](N)Cc2c[nH]cn2)CC1 ZINC001160530991 779965122 /nfs/dbraw/zinc/96/51/22/779965122.db2.gz DINHQVFTZLVGNW-LLVKDONJSA-N 0 3 295.343 -1.403 20 0 CAADHN COC(=O)CN1CCN(C(=O)[C@H](N)Cc2cnc[nH]2)CC1 ZINC001160530991 779965125 /nfs/dbraw/zinc/96/51/25/779965125.db2.gz DINHQVFTZLVGNW-LLVKDONJSA-N 0 3 295.343 -1.403 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC(CO)C1 ZINC001160531617 779965648 /nfs/dbraw/zinc/96/56/48/779965648.db2.gz VYCZQDZLRTVXRA-XPUUQOCRSA-N 0 3 272.305 -2.856 20 0 CAADHN Cn1cc2c(n1)CCN(C(=O)[C@@H]1COC3(CNC3)CN1)C2 ZINC001160558002 779966929 /nfs/dbraw/zinc/96/69/29/779966929.db2.gz LEICJCKDIPTBFZ-LBPRGKRZSA-N 0 3 291.355 -1.365 20 0 CAADHN C[C@@H](N)C(=O)N1CCN(CCCS(C)(=O)=O)CC1 ZINC001160585777 779967118 /nfs/dbraw/zinc/96/71/18/779967118.db2.gz RSRZJJUKYORRRB-SNVBAGLBSA-N 0 3 277.390 -1.088 20 0 CAADHN O=C([C@H]1COC2(CNC2)CN1)N1CCC[C@H](CCO)C1 ZINC001160610527 779968025 /nfs/dbraw/zinc/96/80/25/779968025.db2.gz FIIVJAHNLZSYDO-VXGBXAGGSA-N 0 3 283.372 -1.062 20 0 CAADHN O=C(NCCC[NH2+][C@@H]1CCNC1=O)c1cnc[n-]c1=O ZINC001160639409 779970651 /nfs/dbraw/zinc/97/06/51/779970651.db2.gz BHNWFIMHNWSSKD-SECBINFHSA-N 0 3 279.300 -1.220 20 0 CAADHN NC[C@H](N)C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160637593 779970688 /nfs/dbraw/zinc/97/06/88/779970688.db2.gz UHRJVVJLOCRAOZ-JTQLQIEISA-N 0 3 270.333 -1.878 20 0 CAADHN NC(=O)C[NH2+]CCCNC(=O)c1cnc[n-]c1=O ZINC001160639455 779970719 /nfs/dbraw/zinc/97/07/19/779970719.db2.gz DEPFVJLABVUBGD-UHFFFAOYSA-N 0 3 253.262 -1.623 20 0 CAADHN CN(C)C(=O)C[NH2+]CCCNC(=O)c1cnc[n-]c1=O ZINC001160639981 779970742 /nfs/dbraw/zinc/97/07/42/779970742.db2.gz OYRHAEXWEZFDOL-UHFFFAOYSA-N 0 3 281.316 -1.020 20 0 CAADHN NC(C(=O)N1CC(N2CCNC(=O)C2)C1)C(F)(F)F ZINC001160636924 779970810 /nfs/dbraw/zinc/97/08/10/779970810.db2.gz LKURFPOGVOUQNB-QMMMGPOBSA-N 0 3 280.250 -1.481 20 0 CAADHN CN1CCN(C2CN(C(=O)C3(N)CC3)C2)CC1=O ZINC001160636634 779970889 /nfs/dbraw/zinc/97/08/89/779970889.db2.gz PSEPXRAFKYULSI-UHFFFAOYSA-N 0 3 252.318 -1.538 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640533 779972232 /nfs/dbraw/zinc/97/22/32/779972232.db2.gz GSIHVTKXADBRDJ-MNOVXSKESA-N 0 3 293.327 -1.047 20 0 CAADHN NC[C@H](N)C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160640458 779972683 /nfs/dbraw/zinc/97/26/83/779972683.db2.gz CWFYEFQXVLTGKP-LURJTMIESA-N 0 3 253.262 -1.942 20 0 CAADHN CO[C@@H]1CCCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001160647982 779973668 /nfs/dbraw/zinc/97/36/68/779973668.db2.gz XFQADBKNFBGNIE-GHMZBOCLSA-N 0 3 269.345 -1.046 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647540 779973790 /nfs/dbraw/zinc/97/37/90/779973790.db2.gz MCUXLQXYTPRENU-QGRDJGHBSA-N 0 3 287.385 -1.085 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CC(C)(N(C)C)C1 ZINC001160645603 779974511 /nfs/dbraw/zinc/97/45/11/779974511.db2.gz QHOVCTWXPUCVAI-IUCAKERBSA-N 0 3 272.349 -2.027 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160661328 779975311 /nfs/dbraw/zinc/97/53/11/779975311.db2.gz OUCICYBWIGEWSP-UMNHJUIQSA-N 0 3 295.339 -1.724 20 0 CAADHN CS(=O)(=O)NC1CN(C(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001160658293 779975534 /nfs/dbraw/zinc/97/55/34/779975534.db2.gz SUYHLSLPEZLHQN-VIFPVBQESA-N 0 3 287.345 -1.961 20 0 CAADHN CS(=O)(=O)NC1CN(C(=O)[C@@H](N)Cc2cnc[nH]2)C1 ZINC001160658293 779975541 /nfs/dbraw/zinc/97/55/41/779975541.db2.gz SUYHLSLPEZLHQN-VIFPVBQESA-N 0 3 287.345 -1.961 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001160705402 779976332 /nfs/dbraw/zinc/97/63/32/779976332.db2.gz XMJFTRUGENWSNV-PTJHWVCESA-N 0 3 277.346 -2.205 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)CCO1 ZINC001160703826 779976341 /nfs/dbraw/zinc/97/63/41/779976341.db2.gz FJYMWXVGYCHLDM-IUCAKERBSA-N 0 3 284.316 -2.971 20 0 CAADHN CN(C(=O)[C@H]1COC2(CNC2)CN1)C1(C)COC1 ZINC001160662631 779976461 /nfs/dbraw/zinc/97/64/61/779976461.db2.gz AWPDKOUJTQTHIF-SECBINFHSA-N 0 3 255.318 -1.436 20 0 CAADHN COC(CN(C)C(=O)[C@@H]1COC2(CNC2)CN1)OC ZINC001160684709 779976759 /nfs/dbraw/zinc/97/67/59/779976759.db2.gz ZKFOSFUTJLBHAX-VIFPVBQESA-N 0 3 273.333 -1.606 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001160705170 779978511 /nfs/dbraw/zinc/97/85/11/779978511.db2.gz UCVRDYKYJYYWRL-UWVGGRQHSA-N 0 3 281.316 -1.997 20 0 CAADHN NC(=O)[C@@H]1CN(C(=O)[C@@H](N)CC(F)F)CCO1 ZINC001160705335 779978543 /nfs/dbraw/zinc/97/85/43/779978543.db2.gz VKHOSUYHJDYALD-WDSKDSINSA-N 0 3 251.233 -1.318 20 0 CAADHN NC[C@H](N)C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160716187 779978794 /nfs/dbraw/zinc/97/87/94/779978794.db2.gz PWKTZGLWOSKOJN-QMMMGPOBSA-N 0 3 268.317 -1.682 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCN2CCC1CC2 ZINC001160727106 779979489 /nfs/dbraw/zinc/97/94/89/779979489.db2.gz ZOPHJWCAMZHWSS-ONGXEEELSA-N 0 3 284.360 -1.883 20 0 CAADHN CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H](N)CN)C1 ZINC001160746173 779979617 /nfs/dbraw/zinc/97/96/17/779979617.db2.gz BYAQDFNJRXHDJY-ZJUUUORDSA-N 0 3 272.349 -1.584 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCc2nccn2CC1 ZINC001160761036 779979762 /nfs/dbraw/zinc/97/97/62/779979762.db2.gz UNNZOINWZIWKMT-NSHDSACASA-N 0 3 291.355 -1.402 20 0 CAADHN C[C@@H]1CO[C@@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]12 ZINC001160756453 779980291 /nfs/dbraw/zinc/98/02/91/779980291.db2.gz KXDNLOIXUBDYLZ-WISYIIOYSA-N 0 3 281.356 -1.190 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789386 779981374 /nfs/dbraw/zinc/98/13/74/779981374.db2.gz BNQLGYCHIGDBHM-WDEREUQCSA-N 0 3 293.327 -1.651 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160789386 779981378 /nfs/dbraw/zinc/98/13/78/779981378.db2.gz BNQLGYCHIGDBHM-WDEREUQCSA-N 0 3 293.327 -1.651 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789383 779981426 /nfs/dbraw/zinc/98/14/26/779981426.db2.gz BNQLGYCHIGDBHM-MNOVXSKESA-N 0 3 293.327 -1.651 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160789383 779981431 /nfs/dbraw/zinc/98/14/31/779981431.db2.gz BNQLGYCHIGDBHM-MNOVXSKESA-N 0 3 293.327 -1.651 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CCn2nncc2C1 ZINC001160832225 779982399 /nfs/dbraw/zinc/98/23/99/779982399.db2.gz IGFSCEFBKJBVEP-NSHDSACASA-N 0 3 275.316 -1.076 20 0 CAADHN CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)CN ZINC001160823504 779982808 /nfs/dbraw/zinc/98/28/08/779982808.db2.gz HOFZVGHQMJWSPX-WPRPVWTQSA-N 0 3 281.316 -1.315 20 0 CAADHN NC(C(=O)N1CCN2C(=O)COC[C@H]2C1)C(F)(F)F ZINC001160790656 779982842 /nfs/dbraw/zinc/98/28/42/779982842.db2.gz RVVLACYEVQWUGS-SVRRBLITSA-N 0 3 281.234 -1.054 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1COCCN1 ZINC001160837600 779984058 /nfs/dbraw/zinc/98/40/58/779984058.db2.gz CDGGXHYIAMKLMB-MNOVXSKESA-N 0 3 257.334 -1.236 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2c[nH]cn2)CCN1C ZINC001160871216 779984918 /nfs/dbraw/zinc/98/49/18/779984918.db2.gz RNYBSIMSVADFNP-QWRGUYRKSA-N 0 3 295.343 -1.405 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2cnc[nH]2)CCN1C ZINC001160871216 779984927 /nfs/dbraw/zinc/98/49/27/779984927.db2.gz RNYBSIMSVADFNP-QWRGUYRKSA-N 0 3 295.343 -1.405 20 0 CAADHN C[C@H]1CN(C)C(=O)CN1C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001160940769 779988201 /nfs/dbraw/zinc/98/82/01/779988201.db2.gz FXWKALFVVOTDKM-WPRPVWTQSA-N 0 3 265.317 -1.031 20 0 CAADHN NC(=O)[C@@H]1CCCN1C(=O)CN1CCCC[C@H](N)C1=O ZINC001161034152 779990313 /nfs/dbraw/zinc/99/03/13/779990313.db2.gz AMRFKZYWQOHXNI-UWVGGRQHSA-N 0 3 282.344 -1.198 20 0 CAADHN CC(=O)[C@@H]1CCN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161034200 779990645 /nfs/dbraw/zinc/99/06/45/779990645.db2.gz CMPBSSKKQUFSCD-GHMZBOCLSA-N 0 3 267.329 -1.246 20 0 CAADHN C[C@@H]1CN(C(=O)c2nnn3c2CNCC3)CCN1 ZINC001161023474 779991254 /nfs/dbraw/zinc/99/12/54/779991254.db2.gz MSPPSXJVNKGJPI-MRVPVSSYSA-N 0 3 250.306 -1.185 20 0 CAADHN NCc1cc(NCCN2CCNCC2=O)ncn1 ZINC001161019643 779991623 /nfs/dbraw/zinc/99/16/23/779991623.db2.gz RJUYWWNELZQFJV-UHFFFAOYSA-N 0 3 250.306 -1.221 20 0 CAADHN CN(C(=O)[C@@H](N)Cc1nnn[n-]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058164 779992139 /nfs/dbraw/zinc/99/21/39/779992139.db2.gz OYGGFBVVWNHREH-VGMNWLOBSA-N 0 3 267.337 -1.202 20 0 CAADHN CN(C(=O)[C@@H](N)Cc1nn[n-]n1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058164 779992147 /nfs/dbraw/zinc/99/21/47/779992147.db2.gz OYGGFBVVWNHREH-VGMNWLOBSA-N 0 3 267.337 -1.202 20 0 CAADHN CN(CCO)C(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001161106405 779996049 /nfs/dbraw/zinc/99/60/49/779996049.db2.gz WUMJPFZUWOSKPQ-JTQLQIEISA-N 0 3 295.343 -1.235 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)N(C)CCO)COC1(C)C ZINC001161110926 779996890 /nfs/dbraw/zinc/99/68/90/779996890.db2.gz OIZUJWFTFFXRPS-IUCAKERBSA-N 0 3 273.333 -1.252 20 0 CAADHN CCN(CCC(=O)OC)C(=O)[C@H]1COC2(CNC2)CN1 ZINC001161132633 779996932 /nfs/dbraw/zinc/99/69/32/779996932.db2.gz QMFGXSSMQXCHHA-SNVBAGLBSA-N 0 3 285.344 -1.272 20 0 CAADHN CCN(C(=O)[C@@H]1COC2(CNC2)CN1)C1CN(C)C1 ZINC001161137639 779997076 /nfs/dbraw/zinc/99/70/76/779997076.db2.gz FUEGZVXQJSKIDC-NSHDSACASA-N 0 3 268.361 -1.521 20 0 CAADHN COC(=O)[C@]1(N)CCN(C(=O)[C@@H](N)Cc2cncn2C)C1 ZINC001161137754 779997177 /nfs/dbraw/zinc/99/71/77/779997177.db2.gz GTKJBZMLCYVZJK-GWCFXTLKSA-N 0 3 295.343 -1.607 20 0 CAADHN COC(=O)[C@@]1(N)CCN(C(=O)[C@H](N)Cc2c[nH]cn2)C1 ZINC001161138233 779997536 /nfs/dbraw/zinc/99/75/36/779997536.db2.gz QAQBWAOOXHSDIW-BXKDBHETSA-N 0 3 281.316 -1.618 20 0 CAADHN COC(=O)[C@@]1(N)CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001161138235 779997834 /nfs/dbraw/zinc/99/78/34/779997834.db2.gz QAQBWAOOXHSDIW-JOYOIKCWSA-N 0 3 281.316 -1.618 20 0 CAADHN COC(=O)[C@@]1(N)CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161138206 779998043 /nfs/dbraw/zinc/99/80/43/779998043.db2.gz PHCVEGPSRHTSNI-TVQRCGJNSA-N 0 3 298.343 -2.580 20 0 CAADHN CO[C@H](C)C1CN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161146729 779999169 /nfs/dbraw/zinc/99/91/69/779999169.db2.gz RSSJZIALYLAAIX-KOLCDFICSA-N 0 3 269.345 -1.190 20 0 CAADHN NC[C@H](N)C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161173389 780000862 /nfs/dbraw/zinc/00/08/62/780000862.db2.gz YOVAMPBWCMRMEF-UWVGGRQHSA-N 0 3 253.306 -1.738 20 0 CAADHN CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3nnn[n-]3)C[C@H]2C1 ZINC001161174982 780001560 /nfs/dbraw/zinc/00/15/60/780001560.db2.gz HWTLUPMLSMFKJD-AXFHLTTASA-N 0 3 293.375 -1.130 20 0 CAADHN CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3nnn[n-]3)C[C@H]2C1 ZINC001161174982 780001567 /nfs/dbraw/zinc/00/15/67/780001567.db2.gz HWTLUPMLSMFKJD-AXFHLTTASA-N 0 3 293.375 -1.130 20 0 CAADHN CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3nn[n-]n3)C[C@H]2C1 ZINC001161174982 780001574 /nfs/dbraw/zinc/00/15/74/780001574.db2.gz HWTLUPMLSMFKJD-AXFHLTTASA-N 0 3 293.375 -1.130 20 0 CAADHN CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)Cc3nn[n-]n3)C[C@H]2C1 ZINC001161174982 780001581 /nfs/dbraw/zinc/00/15/81/780001581.db2.gz HWTLUPMLSMFKJD-AXFHLTTASA-N 0 3 293.375 -1.130 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(O)CC1 ZINC001161180474 780002275 /nfs/dbraw/zinc/00/22/75/780002275.db2.gz GWVVDGJKKSRKAD-CBAPKCEASA-N 0 3 286.332 -2.323 20 0 CAADHN COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001161239068 780003101 /nfs/dbraw/zinc/00/31/01/780003101.db2.gz WSYPALAEBVSROP-MNOVXSKESA-N 0 3 295.343 -1.405 20 0 CAADHN COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001161239066 780004584 /nfs/dbraw/zinc/00/45/84/780004584.db2.gz WSYPALAEBVSROP-GHMZBOCLSA-N 0 3 295.343 -1.405 20 0 CAADHN NC[C@H](N)C(=O)N1CCN(c2ncncn2)CC1 ZINC001161248596 780005196 /nfs/dbraw/zinc/00/51/96/780005196.db2.gz YXBHLXJUGBMWSC-QMMMGPOBSA-N 0 3 251.294 -2.194 20 0 CAADHN COc1cnc(O[C@H]2CCN(C(=O)[C@@H](N)CN)C2)nc1 ZINC001161299701 780007232 /nfs/dbraw/zinc/00/72/32/780007232.db2.gz YGEQDLIWEOZBLF-WPRPVWTQSA-N 0 3 281.316 -1.249 20 0 CAADHN COC(=O)[C@@H]1CN(C(=O)C2(N)CC2)CCN1C(C)=O ZINC001161296051 780007707 /nfs/dbraw/zinc/00/77/07/780007707.db2.gz OIKHJUQHNJQNLS-VIFPVBQESA-N 0 3 269.301 -1.290 20 0 CAADHN CC(C)N(C(=O)[C@@H](N)Cc1nnn[n-]1)[C@H]1CC[NH2+]C1 ZINC001161351812 780008986 /nfs/dbraw/zinc/00/89/86/780008986.db2.gz NQXZOSSSBGDCEX-IUCAKERBSA-N 0 3 267.337 -1.332 20 0 CAADHN CC(C)N(C(=O)[C@@H](N)Cc1nn[n-]n1)[C@H]1CC[NH2+]C1 ZINC001161351812 780008993 /nfs/dbraw/zinc/00/89/93/780008993.db2.gz NQXZOSSSBGDCEX-IUCAKERBSA-N 0 3 267.337 -1.332 20 0 CAADHN CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1CCNC1 ZINC001161418540 780011982 /nfs/dbraw/zinc/01/19/82/780011982.db2.gz FKLIMDSZLUBEIK-VIFPVBQESA-N 0 3 272.349 -1.366 20 0 CAADHN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCNC1 ZINC001161418723 780012234 /nfs/dbraw/zinc/01/22/34/780012234.db2.gz NFOYBFNBJMYHSX-UWVGGRQHSA-N 0 3 297.359 -2.170 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCN2CC[C@H]2C1 ZINC001161423976 780012497 /nfs/dbraw/zinc/01/24/97/780012497.db2.gz VCDSJNLHXFBXQT-FJHFEUQMSA-N 0 3 259.375 -1.001 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412180 780012682 /nfs/dbraw/zinc/01/26/82/780012682.db2.gz HGCZKPFYOQCWIF-MAUMQABQSA-N 0 3 265.321 -1.735 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001161412180 780012691 /nfs/dbraw/zinc/01/26/91/780012691.db2.gz HGCZKPFYOQCWIF-MAUMQABQSA-N 0 3 265.321 -1.735 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)N1CCN2CC[C@@H]2C1 ZINC001161424110 780013325 /nfs/dbraw/zinc/01/33/25/780013325.db2.gz YZPXEFIPQIQLKU-MNOVXSKESA-N 0 3 266.345 -1.147 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)C[C@@H]1C ZINC001161459481 780014259 /nfs/dbraw/zinc/01/42/59/780014259.db2.gz LVNBGURJENLBJQ-DCAQKATOSA-N 0 3 297.355 -1.416 20 0 CAADHN CO[C@@H]1CN(C(=O)[C@@H](N)Cc2nnn[n-]2)C[C@@H]1[NH3+] ZINC001161491947 780017290 /nfs/dbraw/zinc/01/72/90/780017290.db2.gz KDUXCZHAKUANRQ-LYFYHCNISA-N 0 3 255.282 -2.746 20 0 CAADHN CC(=O)N1CC2(C1)CN(C(=O)[C@@H](C)N)C[C@H]2C(=O)N(C)C ZINC001161506184 780018243 /nfs/dbraw/zinc/01/82/43/780018243.db2.gz BVDCYTDSWFBMFT-KOLCDFICSA-N 0 3 296.371 -1.271 20 0 CAADHN CN(C1CN(C(=O)[C@@H]([NH3+])Cc2nnn[n-]2)C1)[C@H]1CCOC1 ZINC001161499561 780018295 /nfs/dbraw/zinc/01/82/95/780018295.db2.gz PXYBRLCMVZIGLL-WPRPVWTQSA-N 0 3 295.347 -1.999 20 0 CAADHN NC(=O)NCCC[C@H](N)C(=O)N1CCNC2(CC2)C1 ZINC001161544898 780021345 /nfs/dbraw/zinc/02/13/45/780021345.db2.gz ILBZADWOYHMUDB-VIFPVBQESA-N 0 3 269.349 -1.273 20 0 CAADHN COCCOC1CN(C(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001161572395 780023063 /nfs/dbraw/zinc/02/30/63/780023063.db2.gz MRCSJQQSVQPOFV-LLVKDONJSA-N 0 3 285.344 -1.809 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@H]1CCC(=O)NC1 ZINC001161628357 780024119 /nfs/dbraw/zinc/02/41/19/780024119.db2.gz PTCABZJZNZXHES-SNVBAGLBSA-N 0 3 294.359 -1.063 20 0 CAADHN N[C@@H]1NCN(c2ncnc3c2CCNC3)[C@H]2NCN[C@@H]21 ZINC001162437783 780036789 /nfs/dbraw/zinc/03/67/89/780036789.db2.gz VPDTYCHVGOJJSA-CKYFFXLPSA-N 0 3 276.348 -2.381 20 0 CAADHN N[C@@H]1NCN(c2ncc3c(n2)CCNC3)[C@@H]2NCN[C@H]21 ZINC001162437565 780037101 /nfs/dbraw/zinc/03/71/01/780037101.db2.gz VEJVESQUSFNLSD-AXFHLTTASA-N 0 3 276.348 -2.381 20 0 CAADHN N[C@@H]1NCN(c2ncc3c(n2)CCNC3)[C@H]2NCN[C@@H]21 ZINC001162437566 780037855 /nfs/dbraw/zinc/03/78/55/780037855.db2.gz VEJVESQUSFNLSD-GMTAPVOTSA-N 0 3 276.348 -2.381 20 0 CAADHN N[C@@H]1NCN(c2nnc(Cl)c3nc[nH]c32)[C@H]2NCN[C@H]21 ZINC001162439750 780043704 /nfs/dbraw/zinc/04/37/04/780043704.db2.gz OHATWANADXHIST-NBEYISGCSA-N 0 3 295.738 -1.497 20 0 CAADHN NCc1cc(N2CN[C@H](N)[C@H]3NCN[C@H]32)ncn1 ZINC001162440755 780044673 /nfs/dbraw/zinc/04/46/73/780044673.db2.gz UWSOETABPFWWJN-UTLUCORTSA-N 0 3 250.310 -2.568 20 0 CAADHN CN(C)Cc1ccnc(N2CN[C@H](N)[C@H]3NCN[C@H]32)c1 ZINC001162442518 780045979 /nfs/dbraw/zinc/04/59/79/780045979.db2.gz BWWKDIZDPGHWRX-AGIUHOORSA-N 0 3 277.376 -1.360 20 0 CAADHN CNC(=O)c1cnc([N-][C@]23CC[NH2+][C@@H]2CC(=O)N3)nc1 ZINC001163240206 780057058 /nfs/dbraw/zinc/05/70/58/780057058.db2.gz UIGHVBCZIIWLOP-PRHODGIISA-N 0 3 276.300 -1.174 20 0 CAADHN CNC(=O)c1cnc([N-][C@@]23CC[NH2+][C@H]2CC(=O)N3)nc1 ZINC001163240210 780057142 /nfs/dbraw/zinc/05/71/42/780057142.db2.gz UIGHVBCZIIWLOP-UFBFGSQYSA-N 0 3 276.300 -1.174 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@H]1CCNC1=O ZINC001163943507 780066502 /nfs/dbraw/zinc/06/65/02/780066502.db2.gz GKXKAJVAYHKFDE-SNVBAGLBSA-N 0 3 280.332 -1.453 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@H]1CCNC1=O ZINC001163943506 780066540 /nfs/dbraw/zinc/06/65/40/780066540.db2.gz GKXKAJVAYHKFDE-JTQLQIEISA-N 0 3 280.332 -1.453 20 0 CAADHN Nc1nnn(CC(=O)N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC001164123321 780067865 /nfs/dbraw/zinc/06/78/65/780067865.db2.gz HNHBKMKOLZVZEM-JGVFFNPUSA-N 0 3 267.293 -2.467 20 0 CAADHN CN(CCNc1cc(C(N)=O)ncn1)CCOCCO ZINC001163983645 780068426 /nfs/dbraw/zinc/06/84/26/780068426.db2.gz HVHHNBXUPBPXBF-UHFFFAOYSA-N 0 3 283.332 -1.072 20 0 CAADHN Cn1nnc(C(=O)NCCCNCc2cnnn2C)n1 ZINC001164153423 780069758 /nfs/dbraw/zinc/06/97/58/780069758.db2.gz HWLQRHDREJUPIN-UHFFFAOYSA-N 0 3 279.308 -1.752 20 0 CAADHN CN(c1nccc(S(C)(=O)=O)n1)S(=O)(=O)CCN ZINC001164287486 780071303 /nfs/dbraw/zinc/07/13/03/780071303.db2.gz SGEGTCXOMVZUFE-UHFFFAOYSA-N 0 3 294.358 -1.395 20 0 CAADHN CN(c1ccc(CC(N)=O)nn1)S(=O)(=O)CCN ZINC001164287426 780071319 /nfs/dbraw/zinc/07/13/19/780071319.db2.gz QCGAXFOAHJLEGR-UHFFFAOYSA-N 0 3 273.318 -1.771 20 0 CAADHN CN(c1ccnc(S(C)(=O)=O)n1)S(=O)(=O)CCN ZINC001164287962 780071356 /nfs/dbraw/zinc/07/13/56/780071356.db2.gz ZXHOBYIPULWECJ-UHFFFAOYSA-N 0 3 294.358 -1.395 20 0 CAADHN CN(c1cnc([S@@](C)=O)nc1)S(=O)(=O)CCN ZINC001164299882 780071650 /nfs/dbraw/zinc/07/16/50/780071650.db2.gz BAVDQSCRHJUOLY-MRXNPFEDSA-N 0 3 278.359 -1.061 20 0 CAADHN CN(c1cncn2cnnc12)S(=O)(=O)CCN ZINC001164300341 780071856 /nfs/dbraw/zinc/07/18/56/780071856.db2.gz NECQBZKCDBEAKA-UHFFFAOYSA-N 0 3 256.291 -1.151 20 0 CAADHN CN(c1ccc(-c2nnn[n-]2)nc1)S(=O)(=O)CC[NH3+] ZINC001164296982 780071898 /nfs/dbraw/zinc/07/18/98/780071898.db2.gz UMPPYLVTOYGIRG-UHFFFAOYSA-N 0 3 283.317 -1.014 20 0 CAADHN CN(c1ccc(-c2nn[n-]n2)nc1)S(=O)(=O)CC[NH3+] ZINC001164296982 780071906 /nfs/dbraw/zinc/07/19/06/780071906.db2.gz UMPPYLVTOYGIRG-UHFFFAOYSA-N 0 3 283.317 -1.014 20 0 CAADHN CN(c1ncc2c(n1)OCC(=O)N2)S(=O)(=O)CCN ZINC001164292469 780072027 /nfs/dbraw/zinc/07/20/27/780072027.db2.gz NCAVPXNMINWCLP-UHFFFAOYSA-N 0 3 287.301 -1.468 20 0 CAADHN COC(=O)c1nccc(N(C)S(=O)(=O)CCN)n1 ZINC001164299867 780072057 /nfs/dbraw/zinc/07/20/57/780072057.db2.gz AZPCNFQPBXFBJZ-UHFFFAOYSA-N 0 3 274.302 -1.012 20 0 CAADHN CN(c1nnc(Cl)cc1C(N)=O)S(=O)(=O)CCN ZINC001164292277 780072444 /nfs/dbraw/zinc/07/24/44/780072444.db2.gz IGOBZYYCSIQVMB-UHFFFAOYSA-N 0 3 293.736 -1.046 20 0 CAADHN NC(=O)CN1CCN(c2ncc3c(n2)CCNC3)CC1 ZINC001165154824 780075967 /nfs/dbraw/zinc/07/59/67/780075967.db2.gz LTBLOFHORGCJNU-UHFFFAOYSA-N 0 3 276.344 -1.270 20 0 CAADHN O=C1CN(C2CN(c3cc4c(nn3)CCNC4)C2)CCN1 ZINC001165114288 780075979 /nfs/dbraw/zinc/07/59/79/780075979.db2.gz GFFKZBDRWKOHAH-UHFFFAOYSA-N 0 3 288.355 -1.257 20 0 CAADHN Cn1nncc1CNCCCNC(=O)c1c[nH]c(=O)cn1 ZINC001165295086 780078405 /nfs/dbraw/zinc/07/84/05/780078405.db2.gz DGJZTLZKVUFVKB-UHFFFAOYSA-N 0 3 291.315 -1.192 20 0 CAADHN O=C1NCCN(c2ncnc3c2CNC3)C12CNC2 ZINC001165298885 780078473 /nfs/dbraw/zinc/07/84/73/780078473.db2.gz XQNFINOZHGMVLQ-UHFFFAOYSA-N 0 3 260.301 -1.642 20 0 CAADHN CCn1nncc1CNCCCNC(=O)[C@@H]1CNC(=O)N1 ZINC001165467417 780080558 /nfs/dbraw/zinc/08/05/58/780080558.db2.gz NTIAMMKWWGVEOX-JTQLQIEISA-N 0 3 295.347 -1.425 20 0 CAADHN O=C(NCCCNCc1cnns1)[C@H]1CNC(=O)N1 ZINC001165475388 780082174 /nfs/dbraw/zinc/08/21/74/780082174.db2.gz QXXJCKPVYQSMJB-MRVPVSSYSA-N 0 3 284.345 -1.185 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CCNC(N)=O ZINC001210897717 780140935 /nfs/dbraw/zinc/14/09/35/780140935.db2.gz DHHTURKMTDYZIO-RKDXNWHRSA-N 0 3 258.322 -1.526 20 0 CAADHN Cc1cc(NC(=O)CNCCCNC(=O)C(N)=O)on1 ZINC001165614393 780084418 /nfs/dbraw/zinc/08/44/18/780084418.db2.gz TYXGPEDFMPEUEM-UHFFFAOYSA-N 0 3 283.288 -1.497 20 0 CAADHN CCn1nncc1CNCCCNC(=O)C(N)=O ZINC001165613021 780085287 /nfs/dbraw/zinc/08/52/87/780085287.db2.gz IPYFZPHZHXPORI-UHFFFAOYSA-N 0 3 254.294 -1.621 20 0 CAADHN C[C@@H](NCCCNC(=O)C(N)=O)C(=O)Nc1ncccn1 ZINC001165618844 780085969 /nfs/dbraw/zinc/08/59/69/780085969.db2.gz DPBVTIROSZPWBC-MRVPVSSYSA-N 0 3 294.315 -1.615 20 0 CAADHN NC(=O)C(=O)NCCCNCC(=O)Nc1ccon1 ZINC001165646040 780087225 /nfs/dbraw/zinc/08/72/25/780087225.db2.gz WYUOANRPMFCZHX-UHFFFAOYSA-N 0 3 269.261 -1.806 20 0 CAADHN Cc1cc(NC(=O)[C@H](C)NCCCNC(=O)C(N)=O)on1 ZINC001165650827 780088427 /nfs/dbraw/zinc/08/84/27/780088427.db2.gz LQVCXFFCBCGRFB-QMMMGPOBSA-N 0 3 297.315 -1.109 20 0 CAADHN NC(=O)[C@H]1CN(c2ncnc3c2CCNC3)CCN1 ZINC001166724135 780093905 /nfs/dbraw/zinc/09/39/05/780093905.db2.gz RCLATCVFWQPQBK-SNVBAGLBSA-N 0 3 262.317 -1.614 20 0 CAADHN CNC(=O)c1ccc(N(C2CNC2)S(C)(=O)=O)nn1 ZINC001166970684 780099622 /nfs/dbraw/zinc/09/96/22/780099622.db2.gz SJVJKWDXKWBCKQ-UHFFFAOYSA-N 0 3 285.329 -1.426 20 0 CAADHN CS(=O)(=O)N(c1cc(C(N)=O)ccn1)C1CNC1 ZINC001166967564 780099831 /nfs/dbraw/zinc/09/98/31/780099831.db2.gz PHELDFLHQAJZFU-UHFFFAOYSA-N 0 3 270.314 -1.082 20 0 CAADHN CS(=O)(=O)N(c1ncc2c(n1)CNC2)C1CNC1 ZINC001166969321 780100226 /nfs/dbraw/zinc/10/02/26/780100226.db2.gz RYHSRTNQQDKQET-UHFFFAOYSA-N 0 3 269.330 -1.182 20 0 CAADHN CS(=O)(=O)N(c1ncnc2c1CCNC2)C1CNC1 ZINC001166968514 780100479 /nfs/dbraw/zinc/10/04/79/780100479.db2.gz YHEOBBKYFWKDHF-UHFFFAOYSA-N 0 3 283.357 -1.140 20 0 CAADHN C[C@H](NC(=O)C(N)=O)C1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001276421358 780101320 /nfs/dbraw/zinc/10/13/20/780101320.db2.gz IKOYBJOHIPYKLS-GXSJLCMTSA-N 0 3 295.343 -1.834 20 0 CAADHN C[C@@H](NC(=O)C(N)=O)C1CN(C[C@H](O)Cn2cccn2)C1 ZINC001276421359 780101642 /nfs/dbraw/zinc/10/16/42/780101642.db2.gz IKOYBJOHIPYKLS-KOLCDFICSA-N 0 3 295.343 -1.834 20 0 CAADHN C[C@H](NC(=O)C(N)=O)C1CN(C[C@H](O)Cn2cccn2)C1 ZINC001276421362 780101650 /nfs/dbraw/zinc/10/16/50/780101650.db2.gz IKOYBJOHIPYKLS-ONGXEEELSA-N 0 3 295.343 -1.834 20 0 CAADHN CNC(=O)C[NH2+]CC1CCN(C(=O)c2cn[n-]n2)CC1 ZINC001205608529 780106954 /nfs/dbraw/zinc/10/69/54/780106954.db2.gz GEIXVYJWXRCAHW-UHFFFAOYSA-N 0 3 280.332 -1.008 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)CNC(N)=O ZINC001205937200 780107791 /nfs/dbraw/zinc/10/77/91/780107791.db2.gz NUGFATWYOBJQNM-NXEZZACHSA-N 0 3 288.348 -1.900 20 0 CAADHN CCNC(=O)CC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001206893909 780111849 /nfs/dbraw/zinc/11/18/49/780111849.db2.gz OLCWCBPSGBJWJH-NXEZZACHSA-N 0 3 257.334 -1.059 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001207065392 780113762 /nfs/dbraw/zinc/11/37/62/780113762.db2.gz CATYWCCXMZMIGZ-OUAUKWLOSA-N 0 3 287.360 -1.434 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001206934941 780113592 /nfs/dbraw/zinc/11/35/92/780113592.db2.gz IBQLCHXWAXIEMR-NXEZZACHSA-N 0 3 272.349 -1.266 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001206927992 780113845 /nfs/dbraw/zinc/11/38/45/780113845.db2.gz BNZHHVFWEPPCJQ-OUAUKWLOSA-N 0 3 297.359 -1.128 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)Cn1ncnn1 ZINC001206976736 780114238 /nfs/dbraw/zinc/11/42/38/780114238.db2.gz BHDVUBOWWMTUEK-GHMZBOCLSA-N 0 3 298.347 -1.882 20 0 CAADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001206927991 780114586 /nfs/dbraw/zinc/11/45/86/780114586.db2.gz BNZHHVFWEPPCJQ-GMTAPVOTSA-N 0 3 297.359 -1.128 20 0 CAADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)Cn2ncnn2)C1 ZINC001206977861 780114687 /nfs/dbraw/zinc/11/46/87/780114687.db2.gz BWAAAKNTDYFWEC-GMTAPVOTSA-N 0 3 298.347 -1.883 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207258310 780115235 /nfs/dbraw/zinc/11/52/35/780115235.db2.gz KJIAUVOEGJSBNV-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001207107131 780115303 /nfs/dbraw/zinc/11/53/03/780115303.db2.gz DKJUUJZJLWHNFA-QWRGUYRKSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001207099839 780115412 /nfs/dbraw/zinc/11/54/12/780115412.db2.gz KXMUPZPVLANHAN-SNVBAGLBSA-N 0 3 270.333 -1.551 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC001207160474 780115477 /nfs/dbraw/zinc/11/54/77/780115477.db2.gz YLXCDTUZJFIJAP-NXEZZACHSA-N 0 3 298.343 -1.059 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001207116756 780115527 /nfs/dbraw/zinc/11/55/27/780115527.db2.gz OHHVNFQLKJCGKR-NEPJUHHUSA-N 0 3 296.371 -1.066 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC001207160480 780115553 /nfs/dbraw/zinc/11/55/53/780115553.db2.gz YLXCDTUZJFIJAP-ZJUUUORDSA-N 0 3 298.343 -1.059 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207258193 780115707 /nfs/dbraw/zinc/11/57/07/780115707.db2.gz HWPZMAIJPIUJQP-JTQLQIEISA-N 0 3 299.375 -1.286 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)Cn2nccn2)C1 ZINC001207152757 780115743 /nfs/dbraw/zinc/11/57/43/780115743.db2.gz DKSHLZLHLXYSJX-GRYCIOLGSA-N 0 3 297.359 -1.278 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001207116759 780116063 /nfs/dbraw/zinc/11/60/63/780116063.db2.gz OHHVNFQLKJCGKR-VXGBXAGGSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)CNC(C)=O)C1 ZINC001207099715 780116095 /nfs/dbraw/zinc/11/60/95/780116095.db2.gz IRXWBOPTLCVHPX-NSHDSACASA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001207116758 780116106 /nfs/dbraw/zinc/11/61/06/780116106.db2.gz OHHVNFQLKJCGKR-RYUDHWBXSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001207222090 780116205 /nfs/dbraw/zinc/11/62/05/780116205.db2.gz MZZKDVWVFVWLSE-JTQLQIEISA-N 0 3 295.347 -1.658 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001207099740 780116244 /nfs/dbraw/zinc/11/62/44/780116244.db2.gz JGTXVUWZSJBQIH-LBPRGKRZSA-N 0 3 296.371 -1.018 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207108784 780116283 /nfs/dbraw/zinc/11/62/83/780116283.db2.gz PBYFPBPZYLDJEJ-SECBINFHSA-N 0 3 256.306 -1.812 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207108789 780116291 /nfs/dbraw/zinc/11/62/91/780116291.db2.gz PBYFPBPZYLDJEJ-VIFPVBQESA-N 0 3 256.306 -1.812 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H](NCC(=O)N2CCC2)C1 ZINC001207101930 780116311 /nfs/dbraw/zinc/11/63/11/780116311.db2.gz WTOIEDZSQOKZID-LBPRGKRZSA-N 0 3 296.371 -1.065 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 ZINC001207392465 780116982 /nfs/dbraw/zinc/11/69/82/780116982.db2.gz HHJPQCXMOFYULT-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN CC(=O)N(C)CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207441790 780116990 /nfs/dbraw/zinc/11/69/90/780116990.db2.gz SHAZZZYODKIENQ-JTQLQIEISA-N 0 3 270.333 -1.469 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCCN(C(=O)CNC(N)=O)C2)C1=O ZINC001207266693 780117191 /nfs/dbraw/zinc/11/71/91/780117191.db2.gz JUNQJQLFCNKXQF-NXEZZACHSA-N 0 3 297.359 -1.534 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CNC(N)=O)C1 ZINC001207258730 780117202 /nfs/dbraw/zinc/11/72/02/780117202.db2.gz QWZFZGROVRREGF-QMMMGPOBSA-N 0 3 271.321 -2.019 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CCn2cncn2)C1 ZINC001207327753 780117394 /nfs/dbraw/zinc/11/73/94/780117394.db2.gz FAGDESAJZHOVOZ-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001207298481 780117545 /nfs/dbraw/zinc/11/75/45/780117545.db2.gz PFDMBVHFSMETPH-NXEZZACHSA-N 0 3 293.389 -1.646 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2COCCO2)C1 ZINC001207392462 780117560 /nfs/dbraw/zinc/11/75/60/780117560.db2.gz HHJPQCXMOFYULT-GHMZBOCLSA-N 0 3 285.344 -1.272 20 0 CAADHN CN1CC[C@H](N[C@H]2CCCN(C(=O)CNC(N)=O)C2)C1=O ZINC001207266695 780117614 /nfs/dbraw/zinc/11/76/14/780117614.db2.gz JUNQJQLFCNKXQF-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC001207570355 780118544 /nfs/dbraw/zinc/11/85/44/780118544.db2.gz OTERIAUJNAZRGO-NXEZZACHSA-N 0 3 298.343 -1.202 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)CNC(=O)C2CC2)C1)C(N)=O ZINC001207514709 780118658 /nfs/dbraw/zinc/11/86/58/780118658.db2.gz KGWJTTRQNVOYAU-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@H](N[C@@H](C)C(N)=O)C1 ZINC001207542262 780118825 /nfs/dbraw/zinc/11/88/25/780118825.db2.gz ZLUUQRAEWUVOHV-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC001207570358 780118852 /nfs/dbraw/zinc/11/88/52/780118852.db2.gz OTERIAUJNAZRGO-ZJUUUORDSA-N 0 3 298.343 -1.202 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001207542263 780118902 /nfs/dbraw/zinc/11/89/02/780118902.db2.gz ZLUUQRAEWUVOHV-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001207672672 780118932 /nfs/dbraw/zinc/11/89/32/780118932.db2.gz NBKIXNYKDCKUIK-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001207672671 780119028 /nfs/dbraw/zinc/11/90/28/780119028.db2.gz NBKIXNYKDCKUIK-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001207673140 780119053 /nfs/dbraw/zinc/11/90/53/780119053.db2.gz XAGKWEBTIDJPBY-NXEZZACHSA-N 0 3 282.344 -1.408 20 0 CAADHN CO[C@@H](C)C(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001207546105 780119320 /nfs/dbraw/zinc/11/93/20/780119320.db2.gz MAVHLFGALPMDQU-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN COC(=O)NCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001207541334 780119381 /nfs/dbraw/zinc/11/93/81/780119381.db2.gz CSPGZRSNQFEGOX-NXEZZACHSA-N 0 3 298.343 -1.189 20 0 CAADHN CCC(=O)NCC(=O)N1CCC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001207698395 780119428 /nfs/dbraw/zinc/11/94/28/780119428.db2.gz QBUYWJBNKAWUNN-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CNC(=O)C2CC2)C1 ZINC001207514842 780119585 /nfs/dbraw/zinc/11/95/85/780119585.db2.gz NFKZHTCULJPXNY-SNVBAGLBSA-N 0 3 282.344 -1.422 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725913 780119517 /nfs/dbraw/zinc/11/95/17/780119517.db2.gz TZEZDGLFMFXVSB-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001207675012 780119610 /nfs/dbraw/zinc/11/96/10/780119610.db2.gz BDIWBJSKOSOMJY-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725912 780119992 /nfs/dbraw/zinc/11/99/92/780119992.db2.gz TZEZDGLFMFXVSB-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725397 780120343 /nfs/dbraw/zinc/12/03/43/780120343.db2.gz OEJNZIZQHSZJCC-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207726394 780120447 /nfs/dbraw/zinc/12/04/47/780120447.db2.gz YHJJQKKZKIDWGY-SECBINFHSA-N 0 3 270.333 -1.469 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725396 780120462 /nfs/dbraw/zinc/12/04/62/780120462.db2.gz OEJNZIZQHSZJCC-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2COCCN2C)C1 ZINC001207828959 780120482 /nfs/dbraw/zinc/12/04/82/780120482.db2.gz JNCDGRAPSVKBFI-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)CC(N)=O)C1)C(=O)NC(N)=O ZINC001207726526 780120522 /nfs/dbraw/zinc/12/05/22/780120522.db2.gz ZTCZQOOOWJMFOD-YUMQZZPRSA-N 0 3 299.331 -1.974 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)c2cnn(C)c2N)C1 ZINC001207869224 780120627 /nfs/dbraw/zinc/12/06/27/780120627.db2.gz DNKUDAUBSUEWGP-VIFPVBQESA-N 0 3 294.359 -1.058 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207725086 780120674 /nfs/dbraw/zinc/12/06/74/780120674.db2.gz IOVUYIQGPWNFPH-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001207726361 780120720 /nfs/dbraw/zinc/12/07/20/780120720.db2.gz XSXQVKKMDBRIIP-ZETCQYMHSA-N 0 3 285.304 -2.363 20 0 CAADHN CS(=O)(=O)CCN[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207726165 780120727 /nfs/dbraw/zinc/12/07/27/780120727.db2.gz WKEFKJUASKVXOG-VIFPVBQESA-N 0 3 291.373 -1.513 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207724699 780120763 /nfs/dbraw/zinc/12/07/63/780120763.db2.gz CKSYVQBDXPGHKK-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC001207726400 780120807 /nfs/dbraw/zinc/12/08/07/780120807.db2.gz YHJJQKKZKIDWGY-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001207726358 780120955 /nfs/dbraw/zinc/12/09/55/780120955.db2.gz XSXQVKKMDBRIIP-SSDOTTSWSA-N 0 3 285.304 -2.363 20 0 CAADHN NC(=O)CC(=O)N1CCC[C@@H](NCC(=O)NC2CC2)C1 ZINC001207726448 780120964 /nfs/dbraw/zinc/12/09/64/780120964.db2.gz YTIMSOPDVVTFKE-SNVBAGLBSA-N 0 3 282.344 -1.279 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001207902747 780121607 /nfs/dbraw/zinc/12/16/07/780121607.db2.gz TXOSKSNIYFEBIK-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001207890055 780121748 /nfs/dbraw/zinc/12/17/48/780121748.db2.gz VIMXXJTVCWNBSP-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)CC(=O)N1CCC[C@H](NCC(=O)NC2CC2)C1 ZINC001207889174 780121809 /nfs/dbraw/zinc/12/18/09/780121809.db2.gz GLZXKFCVNXKGEX-NSHDSACASA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001207875037 780121874 /nfs/dbraw/zinc/12/18/74/780121874.db2.gz HGESYGUGAJIUQO-VIFPVBQESA-N 0 3 270.333 -1.422 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001207897709 780121987 /nfs/dbraw/zinc/12/19/87/780121987.db2.gz FYUVBPMCZUPLRR-LBPRGKRZSA-N 0 3 296.371 -1.209 20 0 CAADHN CCNC(=O)CC(=O)N1CCC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001207874766 780122344 /nfs/dbraw/zinc/12/23/44/780122344.db2.gz CJTUIARYDCZHRS-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)c2cc(=O)n(C)o2)C1 ZINC001207897405 780122441 /nfs/dbraw/zinc/12/24/41/780122441.db2.gz ALMZDJFJECBIKX-SECBINFHSA-N 0 3 296.327 -1.082 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)CCNC(=O)NC)C1 ZINC001207983042 780123019 /nfs/dbraw/zinc/12/30/19/780123019.db2.gz JWUXJHMEBYRONX-JTQLQIEISA-N 0 3 299.375 -1.368 20 0 CAADHN CCOC(=O)[C@@H]1CNCCN1CCN1C(=O)CCC1=O ZINC000088665653 780123035 /nfs/dbraw/zinc/12/30/35/780123035.db2.gz JSXVBLJRNJKIJO-JTQLQIEISA-N 0 3 283.328 -1.028 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208052746 780123095 /nfs/dbraw/zinc/12/30/95/780123095.db2.gz DWTZRUFNDOPKNS-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001207986524 780123110 /nfs/dbraw/zinc/12/31/10/780123110.db2.gz NWPCISAOTCUBOO-MRVPVSSYSA-N 0 3 294.315 -1.201 20 0 CAADHN CCOC(=O)[C@H]1CNCCN1CCN1C(=O)CCC1=O ZINC000088665655 780123255 /nfs/dbraw/zinc/12/32/55/780123255.db2.gz JSXVBLJRNJKIJO-SNVBAGLBSA-N 0 3 283.328 -1.028 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC001207959334 780123329 /nfs/dbraw/zinc/12/33/29/780123329.db2.gz SHZVYAHVFFTUGZ-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H](C)NC(N)=O)C1 ZINC001208042713 780123417 /nfs/dbraw/zinc/12/34/17/780123417.db2.gz XGCDFRKNQLXROH-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208052983 780123488 /nfs/dbraw/zinc/12/34/88/780123488.db2.gz JYHSHPWSDVLMBV-SNVBAGLBSA-N 0 3 295.347 -1.658 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001208056833 780123612 /nfs/dbraw/zinc/12/36/12/780123612.db2.gz SCOYFNOELFUPRL-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN CNC(=O)NCCC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001207989611 780123704 /nfs/dbraw/zinc/12/37/04/780123704.db2.gz RNNVJLHDSJDPBH-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN NC(=O)CNC[C@H](NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001276554172 780123745 /nfs/dbraw/zinc/12/37/45/780123745.db2.gz XMNISILQZRDYLU-BDAKNGLRSA-N 0 3 268.317 -1.765 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001207958518 780123943 /nfs/dbraw/zinc/12/39/43/780123943.db2.gz PJRCDVJWTYFPMG-DTWKUNHWSA-N 0 3 284.316 -1.579 20 0 CAADHN CNC(=O)NCCC(=O)N1CCC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001207989587 780124069 /nfs/dbraw/zinc/12/40/69/780124069.db2.gz RBSPMRWTNFLNAX-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@@H](CC(=O)N1CCC[C@H](NCC(N)=O)C1)NC(N)=O ZINC001208041631 780124120 /nfs/dbraw/zinc/12/41/20/780124120.db2.gz LGNIHBKEBIKSNE-IUCAKERBSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)NCCC(=O)N1CCC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001207989585 780124148 /nfs/dbraw/zinc/12/41/48/780124148.db2.gz RBSPMRWTNFLNAX-NXEZZACHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC001207974162 780124160 /nfs/dbraw/zinc/12/41/60/780124160.db2.gz CEZTWZJHYNWIJD-SECBINFHSA-N 0 3 280.332 -1.245 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001208301712 780126306 /nfs/dbraw/zinc/12/63/06/780126306.db2.gz LGWXXUUTPDXRNR-IVZWLZJFSA-N 0 3 257.334 -1.073 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001208279274 780124773 /nfs/dbraw/zinc/12/47/73/780124773.db2.gz MDAVARLQCNIDEO-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001208279118 780124915 /nfs/dbraw/zinc/12/49/15/780124915.db2.gz ILOHYNUBCURDAX-SNVBAGLBSA-N 0 3 299.375 -1.368 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001208265616 780125142 /nfs/dbraw/zinc/12/51/42/780125142.db2.gz WSDXZUHZPFLXQL-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CCNC(=O)CNC[C@H](NC(=O)CC(N)=O)C1CC1 ZINC001276564210 780125186 /nfs/dbraw/zinc/12/51/86/780125186.db2.gz VWFHSDORKZFORE-VIFPVBQESA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CNC(=O)NC)C1 ZINC001208279093 780125214 /nfs/dbraw/zinc/12/52/14/780125214.db2.gz HSJUZGDXDDFMEU-SECBINFHSA-N 0 3 285.348 -1.758 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001208265606 780125270 /nfs/dbraw/zinc/12/52/70/780125270.db2.gz WSDXZUHZPFLXQL-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@H](N[C@H](C)C(N)=O)C1 ZINC001208284753 780125364 /nfs/dbraw/zinc/12/53/64/780125364.db2.gz AWYGQHYSKQVIDU-BDAKNGLRSA-N 0 3 285.348 -1.630 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC001208231339 780125392 /nfs/dbraw/zinc/12/53/92/780125392.db2.gz XSIIMBCDARVTHM-GHMZBOCLSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001208294244 780125448 /nfs/dbraw/zinc/12/54/48/780125448.db2.gz AMNVGUVTSVLXPK-GRYCIOLGSA-N 0 3 299.371 -1.432 20 0 CAADHN CNC(=O)NCC(=O)N1CCC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001208284757 780125480 /nfs/dbraw/zinc/12/54/80/780125480.db2.gz AWYGQHYSKQVIDU-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)CC(N)=O)C1CC1 ZINC001276564208 780125490 /nfs/dbraw/zinc/12/54/90/780125490.db2.gz VWFHSDORKZFORE-SECBINFHSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001208325123 780126211 /nfs/dbraw/zinc/12/62/11/780126211.db2.gz HTZYOBDVSGJHDB-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001208461246 780126840 /nfs/dbraw/zinc/12/68/40/780126840.db2.gz HYHVZUCUSRIBKX-OUAUKWLOSA-N 0 3 299.371 -1.304 20 0 CAADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C(N)=O)C1 ZINC001208449659 780127141 /nfs/dbraw/zinc/12/71/41/780127141.db2.gz APZPHSXTYMRHCO-IWSPIJDZSA-N 0 3 259.306 -2.085 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CCNC2=O)C1 ZINC001208325122 780127337 /nfs/dbraw/zinc/12/73/37/780127337.db2.gz HTZYOBDVSGJHDB-QWRGUYRKSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001208386950 780127400 /nfs/dbraw/zinc/12/74/00/780127400.db2.gz LSKBCWUGVFVRHC-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(C(N)=O)CC2)C1 ZINC001208461245 780127427 /nfs/dbraw/zinc/12/74/27/780127427.db2.gz HYHVZUCUSRIBKX-GMTAPVOTSA-N 0 3 299.371 -1.304 20 0 CAADHN CC1(C)CN(CCOCCO)C[C@H]1NC(=O)CC(N)=O ZINC001276570660 780128150 /nfs/dbraw/zinc/12/81/50/780128150.db2.gz OXNSQQSRKCIIIP-SNVBAGLBSA-N 0 3 287.360 -1.303 20 0 CAADHN NC(=O)CN[C@@H]1CCCN(C(=O)CCCCNC(N)=O)C1 ZINC001208519361 780128837 /nfs/dbraw/zinc/12/88/37/780128837.db2.gz YCCUCQFHSISHAJ-SNVBAGLBSA-N 0 3 299.375 -1.109 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001208605910 780128956 /nfs/dbraw/zinc/12/89/56/780128956.db2.gz WWIQZBAECMKTNE-WISYIIOYSA-N 0 3 299.371 -1.447 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CCCCNC(N)=O)C1 ZINC001208519360 780129096 /nfs/dbraw/zinc/12/90/96/780129096.db2.gz YCCUCQFHSISHAJ-JTQLQIEISA-N 0 3 299.375 -1.109 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@]2(C)CNC(=O)C2)C1 ZINC001208687344 780129166 /nfs/dbraw/zinc/12/91/66/780129166.db2.gz KYLAOBYTGPQORL-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001208959490 780129756 /nfs/dbraw/zinc/12/97/56/780129756.db2.gz CUFGKHLQJWVWOR-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001208942526 780130010 /nfs/dbraw/zinc/13/00/10/780130010.db2.gz LHOUMVUDZNBXTB-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001208942527 780130102 /nfs/dbraw/zinc/13/01/02/780130102.db2.gz LHOUMVUDZNBXTB-QWRGUYRKSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001208943159 780130142 /nfs/dbraw/zinc/13/01/42/780130142.db2.gz OIWLZCVZGQIHBK-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001208924770 780130234 /nfs/dbraw/zinc/13/02/34/780130234.db2.gz PEHCAFCBMDFCCW-OPRDCNLKSA-N 0 3 293.389 -1.647 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001208942525 780130336 /nfs/dbraw/zinc/13/03/36/780130336.db2.gz LHOUMVUDZNBXTB-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CCC[C@H](NCCF)C1 ZINC001208758982 780130444 /nfs/dbraw/zinc/13/04/44/780130444.db2.gz PSJRDIVPRXWDKS-VIFPVBQESA-N 0 3 296.368 -1.410 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(CCO)C[C@H]1C ZINC001208924763 780130612 /nfs/dbraw/zinc/13/06/12/780130612.db2.gz PEHCAFCBMDFCCW-KXUCPTDWSA-N 0 3 293.389 -1.647 20 0 CAADHN COC[C@H](O)CN1CCC(CS(N)(=O)=O)CC1 ZINC000089992564 780130709 /nfs/dbraw/zinc/13/07/09/780130709.db2.gz GVAMJAHAWDPBTI-SNVBAGLBSA-N 0 3 266.363 -1.006 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC001209039551 780131691 /nfs/dbraw/zinc/13/16/91/780131691.db2.gz KAGWNHZCAWBJJR-DTWKUNHWSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001209052109 780131756 /nfs/dbraw/zinc/13/17/56/780131756.db2.gz LYUOQDFZUIREOV-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001209222757 780131801 /nfs/dbraw/zinc/13/18/01/780131801.db2.gz LYUOQDFZUIREOV-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001208975316 780131895 /nfs/dbraw/zinc/13/18/95/780131895.db2.gz BSISRVQEVMMDLX-BDAKNGLRSA-N 0 3 270.333 -1.436 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001208978067 780132167 /nfs/dbraw/zinc/13/21/67/780132167.db2.gz MGLNOWZSIPISFN-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CCNC(=O)CNC[C@@H](NC(=O)[C@H]1CCNC1=O)C1CC1 ZINC001276634742 780132766 /nfs/dbraw/zinc/13/27/66/780132766.db2.gz WONLUXIDLMASOU-WDEREUQCSA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001209313159 780132963 /nfs/dbraw/zinc/13/29/63/780132963.db2.gz CXMMLIAYQYZBOB-BDAKNGLRSA-N 0 3 283.332 -2.006 20 0 CAADHN C[C@@H](N[C@@H]1CCCN(C(=O)C(N)=O)C1)C(=O)N(C)C ZINC001209357602 780133064 /nfs/dbraw/zinc/13/30/64/780133064.db2.gz VDROIKADJLXENC-RKDXNWHRSA-N 0 3 270.333 -1.471 20 0 CAADHN CCNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001209312977 780133188 /nfs/dbraw/zinc/13/31/88/780133188.db2.gz CAEKLACPAAAGNE-UWVGGRQHSA-N 0 3 297.359 -1.616 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001209312974 780133200 /nfs/dbraw/zinc/13/32/00/780133200.db2.gz CAEKLACPAAAGNE-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209355222 780133269 /nfs/dbraw/zinc/13/32/69/780133269.db2.gz IEJZHDPRZOPSAP-LURJTMIESA-N 0 3 271.277 -2.753 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001209346165 780133299 /nfs/dbraw/zinc/13/32/99/780133299.db2.gz ROUXJUWXRJMVHR-UWVGGRQHSA-N 0 3 296.371 -1.033 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001209313335 780133383 /nfs/dbraw/zinc/13/33/83/780133383.db2.gz DLMZJDCXEPYDLE-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001209313172 780133398 /nfs/dbraw/zinc/13/33/98/780133398.db2.gz CXMMLIAYQYZBOB-IUCAKERBSA-N 0 3 283.332 -2.006 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209354086 780133438 /nfs/dbraw/zinc/13/34/38/780133438.db2.gz AIPBEAXGENAFRP-QMMMGPOBSA-N 0 3 256.306 -1.860 20 0 CAADHN CN(C(=O)CN[C@@H]1CCCN(C(=O)C(N)=O)C1)C1CC1 ZINC001209367074 780133810 /nfs/dbraw/zinc/13/38/10/780133810.db2.gz YEEMCRUBMOFPQY-SECBINFHSA-N 0 3 282.344 -1.327 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)C(N)=O)C1)C(=O)NC1CC1 ZINC001209366988 780133864 /nfs/dbraw/zinc/13/38/64/780133864.db2.gz WTARNIZYTQYDKR-WCBMZHEXSA-N 0 3 282.344 -1.281 20 0 CAADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001209437657 780134223 /nfs/dbraw/zinc/13/42/23/780134223.db2.gz YVDRHAHEBQTHQB-CKYFFXLPSA-N 0 3 297.359 -1.128 20 0 CAADHN CCNC(=O)NC(=O)CN[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209386526 780134339 /nfs/dbraw/zinc/13/43/39/780134339.db2.gz KXWQJNFXXSVZQX-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209366995 780134356 /nfs/dbraw/zinc/13/43/56/780134356.db2.gz WWSMLVVDKKKJDU-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209365347 780134412 /nfs/dbraw/zinc/13/44/12/780134412.db2.gz HKMMTLGEMMYGLL-SFYZADRCSA-N 0 3 299.331 -2.104 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209365349 780134516 /nfs/dbraw/zinc/13/45/16/780134516.db2.gz HKMMTLGEMMYGLL-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)C(N)=O)C1)C(=O)NC(N)=O ZINC001209367206 780134626 /nfs/dbraw/zinc/13/46/26/780134626.db2.gz ZHAWPHNHKZBPSG-NKWVEPMBSA-N 0 3 285.304 -2.364 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001209388104 780134738 /nfs/dbraw/zinc/13/47/38/780134738.db2.gz SHSDWYVHSHOHRS-VIFPVBQESA-N 0 3 270.333 -1.469 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001209614763 780135428 /nfs/dbraw/zinc/13/54/28/780135428.db2.gz QRHWDBXOPYQHGS-IINYFYTJSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@]2(C)CCNC2=O)C1 ZINC001209614764 780135487 /nfs/dbraw/zinc/13/54/87/780135487.db2.gz QRHWDBXOPYQHGS-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001209650098 780135526 /nfs/dbraw/zinc/13/55/26/780135526.db2.gz CIXHFVNRWUIXPK-AXFHLTTASA-N 0 3 296.371 -1.223 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CCn1cnnn1 ZINC001209723575 780135663 /nfs/dbraw/zinc/13/56/63/780135663.db2.gz UKRIPJUQMBVHNO-NXEZZACHSA-N 0 3 268.321 -1.508 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001209650974 780135830 /nfs/dbraw/zinc/13/58/30/780135830.db2.gz MNQKEJLWUATMRF-BBBLOLIVSA-N 0 3 282.344 -1.566 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001209614762 780136054 /nfs/dbraw/zinc/13/60/54/780136054.db2.gz QRHWDBXOPYQHGS-HZMBPMFUSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@]2(C)CCNC2=O)C1 ZINC001209614765 780136064 /nfs/dbraw/zinc/13/60/64/780136064.db2.gz QRHWDBXOPYQHGS-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1NC(=O)c1nnc[nH]1 ZINC001209594825 780136128 /nfs/dbraw/zinc/13/61/28/780136128.db2.gz FEGAAOFAYDWQNK-RNFRBKRXSA-N 0 3 295.303 -1.950 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001209652026 780136231 /nfs/dbraw/zinc/13/62/31/780136231.db2.gz WUGWWQJMSSDXEY-MXWKQRLJSA-N 0 3 296.371 -1.176 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001209514038 780136258 /nfs/dbraw/zinc/13/62/58/780136258.db2.gz RCPCXSCYCCMPQJ-HZMBPMFUSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](NC[C@@H](NC(=O)C(N)=O)C1CC1)C(=O)N(C)C ZINC001276648163 780136378 /nfs/dbraw/zinc/13/63/78/780136378.db2.gz HRFJGBIKSQXFSZ-IONNQARKSA-N 0 3 270.333 -1.567 20 0 CAADHN NC(=O)NC(=O)CN[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001210227222 780137082 /nfs/dbraw/zinc/13/70/82/780137082.db2.gz BFVOTBQRHYTMDL-ZETCQYMHSA-N 0 3 296.287 -1.541 20 0 CAADHN NC(=O)NC(=O)C[NH2+][C@H]1CCCN(C(=O)c2nc[n-]n2)C1 ZINC001210198664 780137144 /nfs/dbraw/zinc/13/71/44/780137144.db2.gz PGYACIXFNDAPNA-ZETCQYMHSA-N 0 3 295.303 -1.806 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001209753072 780137343 /nfs/dbraw/zinc/13/73/43/780137343.db2.gz BOWYKUOCEWEXFT-GHMZBOCLSA-N 0 3 284.360 -1.033 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001209753077 780137435 /nfs/dbraw/zinc/13/74/35/780137435.db2.gz BOWYKUOCEWEXFT-QWRGUYRKSA-N 0 3 284.360 -1.033 20 0 CAADHN CN(C)C(=O)CC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001210027809 780138069 /nfs/dbraw/zinc/13/80/69/780138069.db2.gz BXKNPOMNSVHSRZ-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C(=O)CC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001210027805 780138229 /nfs/dbraw/zinc/13/82/29/780138229.db2.gz BXKNPOMNSVHSRZ-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)C1(C(=O)N2CCC[C@@H](N[C@H](C)C(N)=O)C2)CC1 ZINC001210106763 780138265 /nfs/dbraw/zinc/13/82/65/780138265.db2.gz JRQCJVJWIRRFFG-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](N[C@H]1CCCN(C(=O)C(=O)NCC2CC2)C1)C(N)=O ZINC001210388322 780138623 /nfs/dbraw/zinc/13/86/23/780138623.db2.gz LBBUPDBWADGVOB-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001210415990 780138711 /nfs/dbraw/zinc/13/87/11/780138711.db2.gz GXPMJWFNPDLFGX-WISYIIOYSA-N 0 3 299.371 -1.291 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)Cn2cncn2)C1 ZINC001210842858 780138878 /nfs/dbraw/zinc/13/88/78/780138878.db2.gz AOBDKVIQFCEWLK-GRYCIOLGSA-N 0 3 297.359 -1.278 20 0 CAADHN NC(=O)CN[C@H]1CCCN(C(=O)CC(=O)NCC2CC2)C1 ZINC001210575425 780139228 /nfs/dbraw/zinc/13/92/28/780139228.db2.gz GWTSDCXXRMGKTD-NSHDSACASA-N 0 3 296.371 -1.031 20 0 CAADHN CN(C)C(=O)C1(C(=O)N2CCC[C@H](NCC(N)=O)C2)CC1 ZINC001210603688 780139421 /nfs/dbraw/zinc/13/94/21/780139421.db2.gz QUJOKDFTPMCHOT-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001210853159 780139781 /nfs/dbraw/zinc/13/97/81/780139781.db2.gz YUXBJAIEYOZVAY-VHSXEESVSA-N 0 3 299.375 -1.111 20 0 CAADHN CNC(=O)CN[C@@H]1CCCN(C(=O)CCn2cnnn2)C1 ZINC001210285155 780139817 /nfs/dbraw/zinc/13/98/17/780139817.db2.gz XYLGJRLAVFVKCQ-SNVBAGLBSA-N 0 3 295.347 -1.610 20 0 CAADHN COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001210415989 780139837 /nfs/dbraw/zinc/13/98/37/780139837.db2.gz GXPMJWFNPDLFGX-NOOOWODRSA-N 0 3 299.371 -1.291 20 0 CAADHN C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1 ZINC001210416373 780139935 /nfs/dbraw/zinc/13/99/35/780139935.db2.gz NEFRREMZSMOCRY-GRYCIOLGSA-N 0 3 299.371 -1.290 20 0 CAADHN C[C@H](N[C@@H]1CCCN(C(=O)CCNC(N)=O)C1)C(N)=O ZINC001211002970 780140575 /nfs/dbraw/zinc/14/05/75/780140575.db2.gz YEHDMLIBJWHCPQ-DTWKUNHWSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)CN[C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001210975742 780141112 /nfs/dbraw/zinc/14/11/12/780141112.db2.gz POQKDLXEDZEART-JTQLQIEISA-N 0 3 280.332 -1.395 20 0 CAADHN C[C@@H]1CN(CCO)C[C@H]1NC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001210883505 780141163 /nfs/dbraw/zinc/14/11/63/780141163.db2.gz RDDGSZPPUZWOSA-KXUCPTDWSA-N 0 3 298.343 -1.597 20 0 CAADHN NC(=O)NCCC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001211000377 780141439 /nfs/dbraw/zinc/14/14/39/780141439.db2.gz BPFDCQBPPXWGQB-ZJUUUORDSA-N 0 3 297.359 -1.486 20 0 CAADHN NC(=O)NCCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001211000375 780141477 /nfs/dbraw/zinc/14/14/77/780141477.db2.gz BPFDCQBPPXWGQB-UWVGGRQHSA-N 0 3 297.359 -1.486 20 0 CAADHN NC(=O)NCCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001211000374 780141635 /nfs/dbraw/zinc/14/16/35/780141635.db2.gz BPFDCQBPPXWGQB-NXEZZACHSA-N 0 3 297.359 -1.486 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001210974450 780141756 /nfs/dbraw/zinc/14/17/56/780141756.db2.gz DAYSFPVOKZIHNM-WDEREUQCSA-N 0 3 294.359 -1.007 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@H](OC)C1 ZINC001213256673 780142587 /nfs/dbraw/zinc/14/25/87/780142587.db2.gz JYTSJSWKXNXTNB-QJPTWQEYSA-N 0 3 299.371 -1.026 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H]2CCNC2=O)[C@H](OC)C1 ZINC001213256672 780142980 /nfs/dbraw/zinc/14/29/80/780142980.db2.gz JYTSJSWKXNXTNB-IJLUTSLNSA-N 0 3 299.371 -1.026 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001211125029 780143118 /nfs/dbraw/zinc/14/31/18/780143118.db2.gz AZDKKIYZDCWVKA-MRVPVSSYSA-N 0 3 292.361 -2.399 20 0 CAADHN CCS(=O)(=O)CC(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC001211248087 780143176 /nfs/dbraw/zinc/14/31/76/780143176.db2.gz DEGXAZBHLFVSET-SECBINFHSA-N 0 3 291.373 -1.513 20 0 CAADHN CO[C@@H]1CN(CCO)C[C@H]1NC(=O)CCc1cn[nH]n1 ZINC001213467723 780144236 /nfs/dbraw/zinc/14/42/36/780144236.db2.gz GWSNEFUSUYOPNV-GHMZBOCLSA-N 0 3 283.332 -1.455 20 0 CAADHN CO[C@@H]1CN(CCO)C[C@H]1NC(=O)CCc1c[nH]nn1 ZINC001213467723 780144238 /nfs/dbraw/zinc/14/42/38/780144238.db2.gz GWSNEFUSUYOPNV-GHMZBOCLSA-N 0 3 283.332 -1.455 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001214061704 780147691 /nfs/dbraw/zinc/14/76/91/780147691.db2.gz WWAYADZUIAYZDR-YUSALJHKSA-N 0 3 296.371 -1.210 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C1 ZINC001214059018 780147800 /nfs/dbraw/zinc/14/78/00/780147800.db2.gz OMHOLUOTDBOHBS-NQMVMOMDSA-N 0 3 270.333 -1.567 20 0 CAADHN COCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001214011511 780148346 /nfs/dbraw/zinc/14/83/46/780148346.db2.gz DAIOXOSHRFSLEE-IWSPIJDZSA-N 0 3 286.332 -1.347 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C1 ZINC001214059017 780148497 /nfs/dbraw/zinc/14/84/97/780148497.db2.gz OMHOLUOTDBOHBS-KHQFGBGNSA-N 0 3 270.333 -1.567 20 0 CAADHN CC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001214061703 780148550 /nfs/dbraw/zinc/14/85/50/780148550.db2.gz WWAYADZUIAYZDR-ADEWGFFLSA-N 0 3 296.371 -1.210 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001214181305 780149143 /nfs/dbraw/zinc/14/91/43/780149143.db2.gz MZWFIZSPBURMNP-YUSALJHKSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1C ZINC001214107062 780149328 /nfs/dbraw/zinc/14/93/28/780149328.db2.gz BLDNFWRSXIXZHE-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001214104469 780149378 /nfs/dbraw/zinc/14/93/78/780149378.db2.gz ACLIIZQAUYNTFX-OPRDCNLKSA-N 0 3 295.347 -1.756 20 0 CAADHN C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001214118451 780149463 /nfs/dbraw/zinc/14/94/63/780149463.db2.gz KOSCHHNVYYGYES-OPRDCNLKSA-N 0 3 297.359 -1.678 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1NCC(=O)N(C)C ZINC001214167774 780149606 /nfs/dbraw/zinc/14/96/06/780149606.db2.gz QTCSHFQIQKVBRR-UTUOFQBUSA-N 0 3 299.371 -1.074 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1C ZINC001214120888 780149619 /nfs/dbraw/zinc/14/96/19/780149619.db2.gz ZSQIZIGFDZWEMV-NXEZZACHSA-N 0 3 299.375 -1.431 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214181085 780149660 /nfs/dbraw/zinc/14/96/60/780149660.db2.gz BNTITGYVBPCCPG-PSASIEDQSA-N 0 3 270.333 -1.614 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H](C)NC(C)=O)C[C@H]1C ZINC001214095170 780149737 /nfs/dbraw/zinc/14/97/37/780149737.db2.gz XDXKZIAFNUWEQS-WCABBAIRSA-N 0 3 284.360 -1.307 20 0 CAADHN C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1NCC(=O)N1CCC1 ZINC001214120397 780149810 /nfs/dbraw/zinc/14/98/10/780149810.db2.gz AJCQJYOPEYGQQJ-NXEZZACHSA-N 0 3 297.359 -1.677 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1NCC(=O)NC(N)=O ZINC001214098481 780149882 /nfs/dbraw/zinc/14/98/82/780149882.db2.gz SPHSRTBEXADODP-OPRDCNLKSA-N 0 3 298.343 -1.203 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCCO2)C[C@H]1NCC(=O)NC(N)=O ZINC001214098380 780149892 /nfs/dbraw/zinc/14/98/92/780149892.db2.gz SPHSRTBEXADODP-BBBLOLIVSA-N 0 3 298.343 -1.203 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1C ZINC001214104626 780149925 /nfs/dbraw/zinc/14/99/25/780149925.db2.gz HDDLVFBKDMLTSW-NXEZZACHSA-N 0 3 295.347 -1.754 20 0 CAADHN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214097483 780150087 /nfs/dbraw/zinc/15/00/87/780150087.db2.gz BYZDNTGFHFURKL-NQMVMOMDSA-N 0 3 270.333 -1.567 20 0 CAADHN C[C@@H]1CN(C(=O)CNC(N)=O)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001214118450 780150109 /nfs/dbraw/zinc/15/01/09/780150109.db2.gz KOSCHHNVYYGYES-KXUCPTDWSA-N 0 3 297.359 -1.678 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)N(C)C)C1 ZINC001214181147 780150121 /nfs/dbraw/zinc/15/01/21/780150121.db2.gz FLNLTTDXJFGCJZ-ZYHUDNBSSA-N 0 3 298.387 -1.011 20 0 CAADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C1 ZINC001214183449 780150148 /nfs/dbraw/zinc/15/01/48/780150148.db2.gz GPZCITDVNWMHRJ-FXPVBKGRSA-N 0 3 284.360 -1.225 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214375103 780150802 /nfs/dbraw/zinc/15/08/02/780150802.db2.gz HARPIVBCDIKQCF-NXEZZACHSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)NC1CC1 ZINC001214369906 780150848 /nfs/dbraw/zinc/15/08/48/780150848.db2.gz APWRVORQZWMAIF-PSASIEDQSA-N 0 3 282.344 -1.423 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC001214369945 780150856 /nfs/dbraw/zinc/15/08/56/780150856.db2.gz CHCVJMPUUGRHSA-IWSPIJDZSA-N 0 3 270.333 -1.567 20 0 CAADHN CCNC(=O)CCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001214322384 780150999 /nfs/dbraw/zinc/15/09/99/780150999.db2.gz BOVDSDABJGSBOG-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CO[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214230952 780151034 /nfs/dbraw/zinc/15/10/34/780151034.db2.gz LOSLPPYUOSAPQD-IWSPIJDZSA-N 0 3 286.332 -1.347 20 0 CAADHN C[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1NCC(=O)NC(N)=O ZINC001214370314 780151108 /nfs/dbraw/zinc/15/11/08/780151108.db2.gz SWVABFMIJZMEEJ-RNFRBKRXSA-N 0 3 285.304 -2.507 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCOC2)C[C@H]1NCC(=O)NC(N)=O ZINC001214263350 780151117 /nfs/dbraw/zinc/15/11/17/780151117.db2.gz QERQEDMDRXZPGV-OPRDCNLKSA-N 0 3 298.343 -1.346 20 0 CAADHN C[C@@H]1CN(C(=O)c2ccon2)C[C@H]1NCC(=O)NC(N)=O ZINC001214222959 780151242 /nfs/dbraw/zinc/15/12/42/780151242.db2.gz VKNBWQLNGLIXFQ-VXNVDRBHSA-N 0 3 295.299 -1.080 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)CNC(=O)C2CC2)C[C@H]1C)C(N)=O ZINC001214212444 780151543 /nfs/dbraw/zinc/15/15/43/780151543.db2.gz CTUXJZVLVLUGRZ-WCABBAIRSA-N 0 3 296.371 -1.177 20 0 CAADHN COC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C1 ZINC001214235973 780151749 /nfs/dbraw/zinc/15/17/49/780151749.db2.gz XQEQIQJQKQOFMN-IWSPIJDZSA-N 0 3 286.332 -1.347 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2nccnc2N)C[C@H]1C ZINC001214362041 780151813 /nfs/dbraw/zinc/15/18/13/780151813.db2.gz WSFZFGFYIRIUDR-RKDXNWHRSA-N 0 3 292.343 -1.145 20 0 CAADHN COC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001214226887 780151828 /nfs/dbraw/zinc/15/18/28/780151828.db2.gz CLVLFTVJLSHAEE-OPRDCNLKSA-N 0 3 298.343 -1.333 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1NCC(=O)N(C)C ZINC001214542429 780152315 /nfs/dbraw/zinc/15/23/15/780152315.db2.gz WQLVPPPYSPNGAA-BBBLOLIVSA-N 0 3 298.343 -1.381 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C1 ZINC001214497669 780152477 /nfs/dbraw/zinc/15/24/77/780152477.db2.gz REOIVXIRYAETOK-HRDYMLBCSA-N 0 3 270.333 -1.567 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@@H]2CCNC2=O)C1 ZINC001214502131 780152624 /nfs/dbraw/zinc/15/26/24/780152624.db2.gz UKWHLSTVUTUNSE-OPRDCNLKSA-N 0 3 282.344 -1.553 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCN(C)C2=O)C1 ZINC001214506251 780152693 /nfs/dbraw/zinc/15/26/93/780152693.db2.gz NFFLHHKEPABNIE-OUAUKWLOSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@H]2CCNC2=O)C1 ZINC001214502129 780152716 /nfs/dbraw/zinc/15/27/16/780152716.db2.gz UKWHLSTVUTUNSE-KXUCPTDWSA-N 0 3 282.344 -1.553 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C1 ZINC001214562152 780152782 /nfs/dbraw/zinc/15/27/82/780152782.db2.gz MAUZZUCZZBAYDV-KXUCPTDWSA-N 0 3 299.375 -1.384 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CN2CCOCC2)C[C@H]1C ZINC001214454650 780152794 /nfs/dbraw/zinc/15/27/94/780152794.db2.gz XKQBEXWNFAUOIW-VXGBXAGGSA-N 0 3 298.387 -1.499 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001214553674 780152872 /nfs/dbraw/zinc/15/28/72/780152872.db2.gz YUGVHACSNUIQTF-OPRDCNLKSA-N 0 3 294.359 -1.000 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1C ZINC001214542169 780152921 /nfs/dbraw/zinc/15/29/21/780152921.db2.gz PIUGIDOKDFGXBU-OPRDCNLKSA-N 0 3 298.343 -1.333 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1C ZINC001214542168 780153061 /nfs/dbraw/zinc/15/30/61/780153061.db2.gz PIUGIDOKDFGXBU-BBBLOLIVSA-N 0 3 298.343 -1.333 20 0 CAADHN CNC(=O)NCCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(N)=O)C1 ZINC001214562154 780153074 /nfs/dbraw/zinc/15/30/74/780153074.db2.gz MAUZZUCZZBAYDV-OPRDCNLKSA-N 0 3 299.375 -1.384 20 0 CAADHN CNC(=O)CC(=O)N1C[C@@H](C)[C@H](NCC(=O)NC(N)=O)C1 ZINC001214502110 780153116 /nfs/dbraw/zinc/15/31/16/780153116.db2.gz UBVRWXJJKVLENG-HTQZYQBOSA-N 0 3 299.331 -2.246 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CO[C@H]2CCOC2)C[C@H]1C ZINC001214612882 780153171 /nfs/dbraw/zinc/15/31/71/780153171.db2.gz SKQFZKDJZYXMPS-GRYCIOLGSA-N 0 3 299.371 -1.026 20 0 CAADHN CCNC(=O)CC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C1 ZINC001214482254 780153357 /nfs/dbraw/zinc/15/33/57/780153357.db2.gz NFVHJRPRBOCDRO-KXUCPTDWSA-N 0 3 284.360 -1.177 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1C ZINC001214720994 780153886 /nfs/dbraw/zinc/15/38/86/780153886.db2.gz GYKGXEJIQZZPTP-OUAUKWLOSA-N 0 3 294.359 -1.151 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)Cn2ncnn2)C[C@H]1C ZINC001214640449 780154053 /nfs/dbraw/zinc/15/40/53/780154053.db2.gz HTGAKJWVXRTRDC-RKDXNWHRSA-N 0 3 281.320 -2.144 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)C[C@H]1C ZINC001214902327 780154149 /nfs/dbraw/zinc/15/41/49/780154149.db2.gz KCEKBYCBSQUJKB-OUAUKWLOSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@H](C)C(=O)NC)C1 ZINC001214790568 780154164 /nfs/dbraw/zinc/15/41/64/780154164.db2.gz NKLHADMVNIXQGE-OPRDCNLKSA-N 0 3 299.375 -1.514 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)CO[C@@H]2CCOC2)C[C@H]1C ZINC001214612884 780154306 /nfs/dbraw/zinc/15/43/06/780154306.db2.gz SKQFZKDJZYXMPS-IJLUTSLNSA-N 0 3 299.371 -1.026 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(=O)NC)C1 ZINC001214790567 780154316 /nfs/dbraw/zinc/15/43/16/780154316.db2.gz NKLHADMVNIXQGE-KXUCPTDWSA-N 0 3 299.375 -1.514 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)CNC(=O)NC)C[C@H]1C ZINC001214784819 780154453 /nfs/dbraw/zinc/15/44/53/780154453.db2.gz YBWWRIFADJEGCX-NXEZZACHSA-N 0 3 299.375 -1.512 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CCNC2=O)C[C@H]1C ZINC001214843242 780154470 /nfs/dbraw/zinc/15/44/70/780154470.db2.gz IIVFDTAMZZMYIZ-GMTAPVOTSA-N 0 3 296.371 -1.305 20 0 CAADHN CNC(=O)NCC(=O)N1C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C1 ZINC001214790001 780154477 /nfs/dbraw/zinc/15/44/77/780154477.db2.gz ARBPCIVOWBYLMW-HRDYMLBCSA-N 0 3 285.348 -1.774 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)C[C@@H](C)NC(N)=O)C[C@H]1C ZINC001214617078 780154512 /nfs/dbraw/zinc/15/45/12/780154512.db2.gz DUJLELSHLHIXSW-OPRDCNLKSA-N 0 3 299.375 -1.384 20 0 CAADHN C[C@H](CC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1)NC(N)=O ZINC001214624537 780154525 /nfs/dbraw/zinc/15/45/25/780154525.db2.gz WVBSMIWARBYMOQ-IWSPIJDZSA-N 0 3 285.348 -1.645 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001215317180 780155164 /nfs/dbraw/zinc/15/51/64/780155164.db2.gz XSGZBZWIFQYFTF-DJLDLDEBSA-N 0 3 270.333 -1.580 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H](C)CC(N)=O)C[C@H]1C ZINC001215314490 780155250 /nfs/dbraw/zinc/15/52/50/780155250.db2.gz QCQZCMALTPBZSI-IVZWLZJFSA-N 0 3 284.360 -1.320 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)c2nnn(C)n2)C[C@H]1C ZINC001215333660 780155308 /nfs/dbraw/zinc/15/53/08/780155308.db2.gz AAFDXAWJFJJUOW-IWSPIJDZSA-N 0 3 295.347 -1.605 20 0 CAADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC2=O)C[C@H]1NCC(=O)N(C)C ZINC001215309932 780155390 /nfs/dbraw/zinc/15/53/90/780155390.db2.gz ZHMUZTANNDWFLB-GMTAPVOTSA-N 0 3 296.371 -1.353 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@]2(C)CNC(=O)C2)C[C@H]1C ZINC001215201816 780155412 /nfs/dbraw/zinc/15/54/12/780155412.db2.gz BCMRGEYADNTTPB-GPCCPHFNSA-N 0 3 296.371 -1.305 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@H]1C ZINC001215431527 780155591 /nfs/dbraw/zinc/15/55/91/780155591.db2.gz BZFJYQHYSVPZOA-NXEZZACHSA-N 0 3 296.371 -1.176 20 0 CAADHN C[C@@H]1CN(C(=O)C(=O)NCC(F)F)C[C@H]1NCC(N)=O ZINC001215029716 780155720 /nfs/dbraw/zinc/15/57/20/780155720.db2.gz PWBILLALNATSME-RNFRBKRXSA-N 0 3 292.286 -1.711 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2C)C[C@H]1C ZINC001215336693 780155724 /nfs/dbraw/zinc/15/57/24/780155724.db2.gz YXCIGSSVQRTKLB-MXWKQRLJSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NCC(=O)N(C)C ZINC001215439310 780156425 /nfs/dbraw/zinc/15/64/25/780156425.db2.gz WFUAFEGWISRCGO-HTQZYQBOSA-N 0 3 256.306 -2.004 20 0 CAADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1N[C@H]1CCNC1=O ZINC001215829385 780156435 /nfs/dbraw/zinc/15/64/35/780156435.db2.gz LLAIYTNSJZDVKU-OUAUKWLOSA-N 0 3 296.371 -1.210 20 0 CAADHN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1NCC(=O)N(C)C ZINC001215550569 780156644 /nfs/dbraw/zinc/15/66/44/780156644.db2.gz BAYMFNOBNVUPBQ-CHWFTXMASA-N 0 3 296.371 -1.368 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC001215439330 780156770 /nfs/dbraw/zinc/15/67/70/780156770.db2.gz WUFHKJZLVOPAGT-RKDXNWHRSA-N 0 3 270.333 -1.614 20 0 CAADHN C[C@@H]1CN(C(=O)CC(=O)N(C)C)C[C@H]1N[C@@H]1CCNC1=O ZINC001215829384 780156821 /nfs/dbraw/zinc/15/68/21/780156821.db2.gz LLAIYTNSJZDVKU-GMTAPVOTSA-N 0 3 296.371 -1.210 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001215550893 780157005 /nfs/dbraw/zinc/15/70/05/780157005.db2.gz IELLUDUJNSFQBY-DOLQZWNJSA-N 0 3 282.344 -1.710 20 0 CAADHN CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001215554518 780157162 /nfs/dbraw/zinc/15/71/62/780157162.db2.gz VBFJHXUKJQUGTJ-CHWFTXMASA-N 0 3 296.371 -1.320 20 0 CAADHN C[C@H](N[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1C)C(N)=O ZINC001216109625 780157703 /nfs/dbraw/zinc/15/77/03/780157703.db2.gz VMSOMYRGXQXACW-WCABBAIRSA-N 0 3 296.371 -1.177 20 0 CAADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](N[C@@H](C)C(N)=O)C2)CC1 ZINC001215915879 780157792 /nfs/dbraw/zinc/15/77/92/780157792.db2.gz RGSXROMKDWDIFN-KXUCPTDWSA-N 0 3 296.371 -1.177 20 0 CAADHN COCCCOCC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001216284128 780157878 /nfs/dbraw/zinc/15/78/78/780157878.db2.gz GDPSKLHLJWSIOX-GHMZBOCLSA-N 0 3 287.360 -1.039 20 0 CAADHN CNC(=O)CN[C@@H]1CN(C(=O)c2cnon2)C[C@H]1C ZINC001216013385 780158323 /nfs/dbraw/zinc/15/83/23/780158323.db2.gz VQUIGINNIKPMOM-VXNVDRBHSA-N 0 3 267.289 -1.134 20 0 CAADHN CNC(=O)C1(C(=O)N2C[C@@H](C)[C@H](NCC(N)=O)C2)CC1 ZINC001215911227 780158495 /nfs/dbraw/zinc/15/84/95/780158495.db2.gz FIOPOEMWCNEGCJ-RKDXNWHRSA-N 0 3 282.344 -1.566 20 0 CAADHN CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)C2CNC2)C1 ZINC000405104750 780158938 /nfs/dbraw/zinc/15/89/38/780158938.db2.gz YAWLJUCHEDHOAO-QMMMGPOBSA-N 0 3 297.402 -1.698 20 0 CAADHN O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)C1CNC1 ZINC000405138041 780159121 /nfs/dbraw/zinc/15/91/21/780159121.db2.gz KKWVDSSUCUWOME-VHSXEESVSA-N 0 3 275.374 -1.259 20 0 CAADHN COCCOCCCNS(=O)(=O)C1CNC1 ZINC000405137254 780159620 /nfs/dbraw/zinc/15/96/20/780159620.db2.gz RBLRMTZNYMPRRV-UHFFFAOYSA-N 0 3 252.336 -1.069 20 0 CAADHN CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NCC(N)=O)C1 ZINC001216772713 780159647 /nfs/dbraw/zinc/15/96/47/780159647.db2.gz KDNVALHHGKMULM-HTQZYQBOSA-N 0 3 292.361 -2.543 20 0 CAADHN O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)C1CNC1 ZINC000405138040 780159753 /nfs/dbraw/zinc/15/97/53/780159753.db2.gz KKWVDSSUCUWOME-UWVGGRQHSA-N 0 3 275.374 -1.259 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N=c1nc[nH]n1C ZINC001218501579 780165279 /nfs/dbraw/zinc/16/52/79/780165279.db2.gz RXPGZJKGMRNGEJ-WDSKDSINSA-N 0 3 283.292 -3.117 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ncn(C)n1 ZINC001218503846 780165511 /nfs/dbraw/zinc/16/55/11/780165511.db2.gz KNCNFHBBWLXIKY-WDSKDSINSA-N 0 3 283.292 -2.539 20 0 CAADHN Cn1nnnc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218496907 780165536 /nfs/dbraw/zinc/16/55/36/780165536.db2.gz NPLWBLOOVMZBMQ-LURJTMIESA-N 0 3 253.266 -2.521 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nnnn1C ZINC001218496414 780165640 /nfs/dbraw/zinc/16/56/40/780165640.db2.gz KOCZYOFMIZBKDW-WHFBIAKZSA-N 0 3 284.280 -3.144 20 0 CAADHN Cn1[nH]cnc1=NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218500522 780165752 /nfs/dbraw/zinc/16/57/52/780165752.db2.gz CMESGZKXRCWPAQ-SSDOTTSWSA-N 0 3 252.278 -2.494 20 0 CAADHN Cn1nnnc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218496942 780166048 /nfs/dbraw/zinc/16/60/48/780166048.db2.gz NPLWBLOOVMZBMQ-ZCFIWIBFSA-N 0 3 253.266 -2.521 20 0 CAADHN Cn1ccc(NC(=O)[C@H]2COC3(CNC3)CN2)n1 ZINC001218497720 780166275 /nfs/dbraw/zinc/16/62/75/780166275.db2.gz STJFGOOPFXOING-MRVPVSSYSA-N 0 3 251.290 -1.311 20 0 CAADHN O=C(N=c1ncnc2[nH][n-]cc1-2)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001218517641 780166713 /nfs/dbraw/zinc/16/67/13/780166713.db2.gz ITJBRRFTYKVJTA-JVXZTZIISA-N 0 3 273.300 -1.384 20 0 CAADHN NC[C@H](N)C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218509441 780166851 /nfs/dbraw/zinc/16/68/51/780166851.db2.gz ASTDAQWWRWVUPH-JTQLQIEISA-N 0 3 293.327 -1.222 20 0 CAADHN O=C(N=c1ncnc2[nH][n-]cc1-2)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001218517640 780166906 /nfs/dbraw/zinc/16/69/06/780166906.db2.gz ITJBRRFTYKVJTA-JMCQJSRRSA-N 0 3 273.300 -1.384 20 0 CAADHN N[C@H](C(=O)N=c1ncnc2[nH][n-]cc1-2)C1CC[NH2+]CC1 ZINC001218518312 780166995 /nfs/dbraw/zinc/16/69/95/780166995.db2.gz OZJSNXCZAPIFMZ-VIFPVBQESA-N 0 3 275.316 -1.008 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515961 780167107 /nfs/dbraw/zinc/16/71/07/780167107.db2.gz PFCHPJUWNNOYIQ-ZETCQYMHSA-N 0 3 287.287 -1.010 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515769 780167146 /nfs/dbraw/zinc/16/71/46/780167146.db2.gz LTYRDODZJGOWBN-ZCFIWIBFSA-N 0 3 273.260 -1.021 20 0 CAADHN Cc1c[nH]nc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218515825 780167195 /nfs/dbraw/zinc/16/71/95/780167195.db2.gz XJKPMXFYFWGNAX-BQBZGAKWSA-N 0 3 282.304 -1.636 20 0 CAADHN O=C(Nc1ncnc2n[nH]nc21)[C@H]1COC2(CNC2)CN1 ZINC001218515911 780167241 /nfs/dbraw/zinc/16/72/41/780167241.db2.gz NQKUSRWOEUQFHX-ZCFIWIBFSA-N 0 3 290.287 -1.983 20 0 CAADHN O=C(N=c1ncnc2[nH][n-]cc1-2)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001218517642 780167310 /nfs/dbraw/zinc/16/73/10/780167310.db2.gz ITJBRRFTYKVJTA-KRTXAFLBSA-N 0 3 273.300 -1.384 20 0 CAADHN N[C@@H](CSCC[NH3+])C(=O)N=c1ncnc2[nH][n-]cc1-2 ZINC001218518915 780168567 /nfs/dbraw/zinc/16/85/67/780168567.db2.gz VMKACMYPBCZAQS-ZETCQYMHSA-N 0 3 281.345 -1.316 20 0 CAADHN Nc1cccnc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218539025 780168604 /nfs/dbraw/zinc/16/86/04/780168604.db2.gz WKLFWXZPDBUOQK-VIFPVBQESA-N 0 3 263.301 -1.067 20 0 CAADHN COc1cc(NC(=O)[C@H]2COC3(CNC3)CN2)ncn1 ZINC001218536203 780168715 /nfs/dbraw/zinc/16/87/15/780168715.db2.gz PZJYKYKOTANZEZ-MRVPVSSYSA-N 0 3 279.300 -1.246 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)Nc1nonc1N ZINC001218542226 780169040 /nfs/dbraw/zinc/16/90/40/780169040.db2.gz MYIXKJANQOZUFR-LURJTMIESA-N 0 3 251.250 -1.106 20 0 CAADHN Cc1cc(NC(=O)[C@@H]2CNCCN2)n2ncnc2n1 ZINC001218527416 780169310 /nfs/dbraw/zinc/16/93/10/780169310.db2.gz JWGGZBMFGIOTKF-QMMMGPOBSA-N 0 3 261.289 -1.067 20 0 CAADHN Nc1nonc1NC(=O)CN1CCCC[C@H](N)C1=O ZINC001218540840 780169389 /nfs/dbraw/zinc/16/93/89/780169389.db2.gz BCPQTCYREFZINQ-LURJTMIESA-N 0 3 268.277 -1.070 20 0 CAADHN Cc1noc(NC(=O)[C@@H]2COC3(CNC3)CN2)c1C(N)=O ZINC001218551468 780170017 /nfs/dbraw/zinc/17/00/17/780170017.db2.gz NQWMJEXDRNGNJP-ZETCQYMHSA-N 0 3 295.299 -1.649 20 0 CAADHN Cn1ncc2c1ncnc2NC(=O)[C@@H]1CNCCN1 ZINC001218557282 780170470 /nfs/dbraw/zinc/17/04/70/780170470.db2.gz NGATWMLGUYBTBA-QMMMGPOBSA-N 0 3 261.289 -1.137 20 0 CAADHN Cc1noc(NC(=O)[C@H]2COC3(CNC3)CN2)c1C(N)=O ZINC001218551467 780170494 /nfs/dbraw/zinc/17/04/94/780170494.db2.gz NQWMJEXDRNGNJP-SSDOTTSWSA-N 0 3 295.299 -1.649 20 0 CAADHN Cc1noc([N-]C(=O)[C@]2(N)CC[NH2+]C2)c1C(N)=O ZINC001218551716 780170707 /nfs/dbraw/zinc/17/07/07/780170707.db2.gz TWJXGGPNHHGDDJ-JTQLQIEISA-N 0 3 253.262 -1.289 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1cnccc1N(C)C ZINC001218562899 780170736 /nfs/dbraw/zinc/17/07/36/780170736.db2.gz GMRMPUCBDAZVQO-IUCAKERBSA-N 0 3 295.343 -1.090 20 0 CAADHN Cc1noc(NC(=O)[C@H](N)CCCNC(N)=O)c1C(N)=O ZINC001218552061 780170891 /nfs/dbraw/zinc/17/08/91/780170891.db2.gz XUDLYNVBQGCQAJ-ZCFIWIBFSA-N 0 3 298.303 -1.204 20 0 CAADHN Cc1noc([N-]C(=O)[C@H]2[NH2+]CC[C@H]2O)c1C(N)=O ZINC001218551982 780170958 /nfs/dbraw/zinc/17/09/58/780170958.db2.gz WVVWIFLTWAARAN-VDTYLAMSSA-N 0 3 254.246 -1.257 20 0 CAADHN O=C(Nc1noc2nccnc12)[C@H]1COC2(CNC2)CN1 ZINC001218573708 780171334 /nfs/dbraw/zinc/17/13/34/780171334.db2.gz JRDIWFRMILIANA-SSDOTTSWSA-N 0 3 290.283 -1.113 20 0 CAADHN O=C(Nc1cncc(N2CCOCC2)n1)[C@@H]1CNCCN1 ZINC001218575606 780171551 /nfs/dbraw/zinc/17/15/51/780171551.db2.gz IKPUFFIIFNJBSX-JTQLQIEISA-N 0 3 292.343 -1.187 20 0 CAADHN O=C(Nc1noc2nccnc12)[C@@H]1COC2(CNC2)CN1 ZINC001218573709 780171975 /nfs/dbraw/zinc/17/19/75/780171975.db2.gz JRDIWFRMILIANA-ZETCQYMHSA-N 0 3 290.283 -1.113 20 0 CAADHN C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cncc([O-])c1 ZINC001218573525 780172050 /nfs/dbraw/zinc/17/20/50/780172050.db2.gz IQGZASUJXSOJKQ-RCOVLWMOSA-N 0 3 295.299 -1.567 20 0 CAADHN COc1cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)no1 ZINC001218573182 780172061 /nfs/dbraw/zinc/17/20/61/780172061.db2.gz CDBLXZDTSRMNLU-WDSKDSINSA-N 0 3 299.287 -1.671 20 0 CAADHN COc1cc(NC(=O)[C@@H]2COC3(CNC3)CN2)no1 ZINC001218574028 780172311 /nfs/dbraw/zinc/17/23/11/780172311.db2.gz NXGYPGCXJYLYOF-ZETCQYMHSA-N 0 3 268.273 -1.048 20 0 CAADHN Nc1c(=O)c(=O)c1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218587942 780173165 /nfs/dbraw/zinc/17/31/65/780173165.db2.gz IYGCGONJVDJFHR-RXMQYKEDSA-N 0 3 266.257 -2.866 20 0 CAADHN COc1ncc(NC(=O)[C@H]2COC3(CNC3)CN2)cn1 ZINC001218589543 780173896 /nfs/dbraw/zinc/17/38/96/780173896.db2.gz AFDUJZOGLMFQJM-SECBINFHSA-N 0 3 279.300 -1.246 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)Nc1nccnc1C(N)=O ZINC001218617474 780175594 /nfs/dbraw/zinc/17/55/94/780175594.db2.gz GZRXFPQUYVVMND-QMMMGPOBSA-N 0 3 289.299 -1.183 20 0 CAADHN N=c1c(N)cnc(Cl)n1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001218622862 780176520 /nfs/dbraw/zinc/17/65/20/780176520.db2.gz XRPIYGZQUCLRNA-SSDOTTSWSA-N 0 3 298.734 -1.431 20 0 CAADHN Nc1cnc(NC(=O)[C@@H]2COC3(CNC3)CN2)cn1 ZINC001218623180 780176558 /nfs/dbraw/zinc/17/65/58/780176558.db2.gz BLXHJBOLIQLNDG-ZETCQYMHSA-N 0 3 264.289 -1.672 20 0 CAADHN Cn1cc(NC(=O)[C@@H]2COC3(CNC3)CN2)nn1 ZINC001218628453 780176652 /nfs/dbraw/zinc/17/66/52/780176652.db2.gz JISVEQLELPGHHN-ZETCQYMHSA-N 0 3 252.278 -1.916 20 0 CAADHN Nc1cn(C(=O)[C@@H]2COC3(CNC3)CN2)nc1N ZINC001218627278 780176758 /nfs/dbraw/zinc/17/67/58/780176758.db2.gz QQAQZHSIOFHLBO-ZETCQYMHSA-N 0 3 252.278 -1.982 20 0 CAADHN Cc1nc(NC(=O)[C@@H](N)CN)cc(N2CCOCC2)n1 ZINC001218619654 780176891 /nfs/dbraw/zinc/17/68/91/780176891.db2.gz JHFLFOGKQUELPT-VIFPVBQESA-N 0 3 280.332 -1.154 20 0 CAADHN CN(C(=O)[C@@H]1COC2(CNC2)CN1)c1nccnc1N ZINC001218623800 780176989 /nfs/dbraw/zinc/17/69/89/780176989.db2.gz SCJOLUOYUNZFLT-QMMMGPOBSA-N 0 3 278.316 -1.648 20 0 CAADHN CN(C(=O)[C@H]1COC2(CNC2)CN1)c1nccnc1N ZINC001218623795 780177224 /nfs/dbraw/zinc/17/72/24/780177224.db2.gz SCJOLUOYUNZFLT-MRVPVSSYSA-N 0 3 278.316 -1.648 20 0 CAADHN CSc1[n-]nc(NC(=O)[C@]2(N)CC[NH2+]C2)c1C(N)=O ZINC001218638766 780178304 /nfs/dbraw/zinc/17/83/04/780178304.db2.gz SXPDGWQPVCUVSB-JTQLQIEISA-N 0 3 284.345 -1.140 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640490 780178650 /nfs/dbraw/zinc/17/86/50/780178650.db2.gz IFSVWCDHGKLQSL-QMMMGPOBSA-N 0 3 277.292 -1.951 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640490 780178657 /nfs/dbraw/zinc/17/86/57/780178657.db2.gz IFSVWCDHGKLQSL-QMMMGPOBSA-N 0 3 277.292 -1.951 20 0 CAADHN Nc1ncc(Cl)nc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218652616 780178879 /nfs/dbraw/zinc/17/88/79/780178879.db2.gz MDCMTCAMZMIUFK-ZCFIWIBFSA-N 0 3 298.734 -1.019 20 0 CAADHN CCOC(=O)c1cc(NC(=O)[C@@H](N)CN)n(C)n1 ZINC001218637215 780178958 /nfs/dbraw/zinc/17/89/58/780178958.db2.gz SBGTWVOWDMJBCO-LURJTMIESA-N 0 3 255.278 -1.179 20 0 CAADHN Nc1cc[nH]c(=O)c1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218678084 780179317 /nfs/dbraw/zinc/17/93/17/780179317.db2.gz DRXOMAMXTQMPKR-MRVPVSSYSA-N 0 3 279.300 -1.362 20 0 CAADHN COc1ncnc(NC(=O)[C@@H]2CNCCN2)c1OC ZINC001218653601 780179764 /nfs/dbraw/zinc/17/97/64/780179764.db2.gz VDGKTAGZWUDXMY-ZETCQYMHSA-N 0 3 267.289 -1.006 20 0 CAADHN O=C(Nc1ccn2cnnc2c1)[C@@H]1COC2(CNC2)CN1 ZINC001218657488 780180349 /nfs/dbraw/zinc/18/03/49/780180349.db2.gz LXPUNBSHHPJSFJ-JTQLQIEISA-N 0 3 288.311 -1.002 20 0 CAADHN O=C(Nc1ccn2cnnc2c1)[C@H]1COC2(CNC2)CN1 ZINC001218657499 780180380 /nfs/dbraw/zinc/18/03/80/780180380.db2.gz LXPUNBSHHPJSFJ-SNVBAGLBSA-N 0 3 288.311 -1.002 20 0 CAADHN Cn1nncc1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218700970 780180840 /nfs/dbraw/zinc/18/08/40/780180840.db2.gz WQYFJPVILQHVIT-SSDOTTSWSA-N 0 3 252.278 -1.916 20 0 CAADHN Cc1c(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)ncn1C ZINC001218692423 780181347 /nfs/dbraw/zinc/18/13/47/780181347.db2.gz VBJLIAVCCGEYGT-XPUUQOCRSA-N 0 3 296.331 -1.626 20 0 CAADHN Cn1nncc1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218700972 780181838 /nfs/dbraw/zinc/18/18/38/780181838.db2.gz WQYFJPVILQHVIT-ZETCQYMHSA-N 0 3 252.278 -1.916 20 0 CAADHN Cc1cnn(CCO)c1NC(=O)[C@@H]1CNCCN1 ZINC001218749657 780182508 /nfs/dbraw/zinc/18/25/08/780182508.db2.gz GQDWJLLJHZBISJ-VIFPVBQESA-N 0 3 253.306 -1.316 20 0 CAADHN CCN=c1ncc(N)cn1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218740272 780182527 /nfs/dbraw/zinc/18/25/27/780182527.db2.gz XSQDGRBACXNASS-JTQLQIEISA-N 0 3 292.343 -1.644 20 0 CAADHN NC(=O)c1cnoc1[N-]C(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001218702753 780182660 /nfs/dbraw/zinc/18/26/60/780182660.db2.gz WDJNUHLRYXPLED-KBUNVGBDSA-N 0 3 265.273 -1.337 20 0 CAADHN NC[C@H](N)C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218750366 780184516 /nfs/dbraw/zinc/18/45/16/780184516.db2.gz FWFRGPBYFOJHRW-ZETCQYMHSA-N 0 3 259.291 -2.047 20 0 CAADHN CNC(=O)c1cccnc1NC(=O)[C@@H]1CNCCN1 ZINC001218764430 780185018 /nfs/dbraw/zinc/18/50/18/780185018.db2.gz LXMSAIPBHHCZBV-VIFPVBQESA-N 0 3 263.301 -1.059 20 0 CAADHN Cc1cnn(CCO)c1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218753897 780185032 /nfs/dbraw/zinc/18/50/32/780185032.db2.gz LAVFMLYHXUUMAD-JTQLQIEISA-N 0 3 295.343 -1.547 20 0 CAADHN Cc1cncnc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218791712 780185056 /nfs/dbraw/zinc/18/50/56/780185056.db2.gz CBCJWGBMZWBVOK-YUMQZZPRSA-N 0 3 294.315 -1.569 20 0 CAADHN NC[C@H](N)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001218874552 780186696 /nfs/dbraw/zinc/18/66/96/780186696.db2.gz YQTIKSBGAGRICD-NSHDSACASA-N 0 3 277.328 -1.153 20 0 CAADHN COCC(=O)N[C@@H]1CN(C[C@@H]2CCNC(=O)CC2)C[C@@H]1O ZINC001219093388 780190944 /nfs/dbraw/zinc/19/09/44/780190944.db2.gz UPYFLFIDHXCSOW-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CNC(C)=O)[C@@H](O)C1 ZINC001219102161 780192306 /nfs/dbraw/zinc/19/23/06/780192306.db2.gz VCMKZNHYAJPLNW-MNOVXSKESA-N 0 3 273.333 -1.680 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001219110694 780194171 /nfs/dbraw/zinc/19/41/71/780194171.db2.gz VOYOVLYXCFDSGL-UPJWGTAASA-N 0 3 299.371 -1.147 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O ZINC001219112152 780194332 /nfs/dbraw/zinc/19/43/32/780194332.db2.gz VWEKGVYEZYFWLZ-TUAOUCFPSA-N 0 3 285.344 -1.680 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CN(CCC2CC2)C[C@@H]1O ZINC001219163048 780196491 /nfs/dbraw/zinc/19/64/91/780196491.db2.gz CYBOSUJNHIIJDD-ZJUUUORDSA-N 0 3 270.333 -1.384 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219162994 780197098 /nfs/dbraw/zinc/19/70/98/780197098.db2.gz AYNXUJREMVONNB-ZJUUUORDSA-N 0 3 288.348 -1.757 20 0 CAADHN COCCCCN1C[C@@H](NC(=O)Cn2cnnn2)[C@@H](O)C1 ZINC001219158785 780197317 /nfs/dbraw/zinc/19/73/17/780197317.db2.gz PVWHBSPACWHSAF-MNOVXSKESA-N 0 3 298.347 -1.739 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001219168851 780198258 /nfs/dbraw/zinc/19/82/58/780198258.db2.gz ORWKIMZXCZOGEO-BDAKNGLRSA-N 0 3 256.306 -1.774 20 0 CAADHN CC[C@H](CN1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1)OC ZINC001219168873 780198705 /nfs/dbraw/zinc/19/87/05/780198705.db2.gz PPSKYAPTQKRSJO-BBBLOLIVSA-N 0 3 288.348 -1.759 20 0 CAADHN C[C@H](F)CCN1C[C@@H](NC(=O)CNC(N)=O)[C@@H](O)C1 ZINC001219168360 780198869 /nfs/dbraw/zinc/19/88/69/780198869.db2.gz AKYJXXZQKZUNIP-YIZRAAEISA-N 0 3 276.312 -1.436 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001219200828 780200101 /nfs/dbraw/zinc/20/01/01/780200101.db2.gz CVJSBBXWPISQMU-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CNC(=O)C2CC2)[C@@H](O)C1 ZINC001219257069 780202937 /nfs/dbraw/zinc/20/29/37/780202937.db2.gz WUVNYDSTSZUFQW-NEPJUHHUSA-N 0 3 299.371 -1.290 20 0 CAADHN COCCOC[C@@H](O)CNCC(=O)N1CCOCC1 ZINC000311313898 780204353 /nfs/dbraw/zinc/20/43/53/780204353.db2.gz CPBGCDKLLHEQER-NSHDSACASA-N 0 3 276.333 -1.541 20 0 CAADHN CCC(=O)NCC(=O)N[C@@H]1CN(CCCOC)C[C@@H]1O ZINC001219376309 780214318 /nfs/dbraw/zinc/21/43/18/780214318.db2.gz YGCCOORCYWBFFM-MNOVXSKESA-N 0 3 287.360 -1.290 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O ZINC001219412776 780217569 /nfs/dbraw/zinc/21/75/69/780217569.db2.gz FETMHPYAUKZTIZ-AXFHLTTASA-N 0 3 285.344 -1.550 20 0 CAADHN CCOCCCN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1 ZINC001219412613 780218499 /nfs/dbraw/zinc/21/84/99/780218499.db2.gz AFZKGTPPIIDGHU-ZJUUUORDSA-N 0 3 273.333 -1.550 20 0 CAADHN CCOC1CC(CN2C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C2)C1 ZINC001219413590 780219323 /nfs/dbraw/zinc/21/93/23/780219323.db2.gz WIRHVILYCHZSEC-HCWSGVFWSA-N 0 3 299.371 -1.162 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CC[C@@H]2CCCCO2)C[C@@H]1O ZINC001219412919 780219368 /nfs/dbraw/zinc/21/93/68/780219368.db2.gz IWRYPWDPALYZAU-TUAOUCFPSA-N 0 3 299.371 -1.018 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O ZINC001219413257 780219418 /nfs/dbraw/zinc/21/94/18/780219418.db2.gz NJNAUYBTLGMXTL-NEPJUHHUSA-N 0 3 299.371 -1.160 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001219413171 780219596 /nfs/dbraw/zinc/21/95/96/780219596.db2.gz LBFACURCFKIFMJ-UTUOFQBUSA-N 0 3 299.371 -1.160 20 0 CAADHN CC[C@H](CN1C[C@@H](NC(=O)CC(N)=O)[C@@H](O)C1)OC ZINC001219413190 780220158 /nfs/dbraw/zinc/22/01/58/780220158.db2.gz LTYUZORSRWYYJO-BBBLOLIVSA-N 0 3 273.333 -1.552 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@@H]1O ZINC001219413170 780220310 /nfs/dbraw/zinc/22/03/10/780220310.db2.gz LBFACURCFKIFMJ-TUAOUCFPSA-N 0 3 299.371 -1.160 20 0 CAADHN CCOCCN1C[C@@H](NC(=O)CCc2nnc[nH]2)[C@@H](O)C1 ZINC001219433042 780221004 /nfs/dbraw/zinc/22/10/04/780221004.db2.gz ZKWXQOCWKOZYMW-MNOVXSKESA-N 0 3 297.359 -1.065 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001219478465 780223834 /nfs/dbraw/zinc/22/38/34/780223834.db2.gz YGMFGNSLBUEYDQ-ZJUUUORDSA-N 0 3 299.331 -1.819 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O ZINC001219509812 780225514 /nfs/dbraw/zinc/22/55/14/780225514.db2.gz FBWOXQUWOIFHGS-UTUOFQBUSA-N 0 3 299.371 -1.147 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CCCOC)C[C@@H]1O ZINC001219508002 780225621 /nfs/dbraw/zinc/22/56/21/780225621.db2.gz HLYFIESQRLCZQY-ZJUUUORDSA-N 0 3 273.333 -1.680 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CCn2ccnn2)[C@@H](O)C1 ZINC001219516778 780226156 /nfs/dbraw/zinc/22/61/56/780226156.db2.gz FJOJIFPTZZOXND-NEPJUHHUSA-N 0 3 297.359 -1.134 20 0 CAADHN C[C@H](NC(N)=O)C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001219515867 780226353 /nfs/dbraw/zinc/22/63/53/780226353.db2.gz WXAJLGHXGMRPAW-SFGNSQDASA-N 0 3 270.333 -1.386 20 0 CAADHN COCCCN1C[C@@H](NC(=O)C2CN(C(C)=O)C2)[C@@H](O)C1 ZINC001219510908 780226895 /nfs/dbraw/zinc/22/68/95/780226895.db2.gz GTRHZHLVVPFBTR-OLZOCXBDSA-N 0 3 299.371 -1.338 20 0 CAADHN CNC(=O)CC(=O)N[C@@H]1CN(CCC[C@@H](C)O)C[C@@H]1O ZINC001219510637 780227056 /nfs/dbraw/zinc/22/70/56/780227056.db2.gz YGFYFIVFLDRHOL-MXWKQRLJSA-N 0 3 287.360 -1.555 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(F)(F)F ZINC001219553604 780228667 /nfs/dbraw/zinc/22/86/67/780228667.db2.gz CLNTZBRGNLQGCX-WHFBIAKZSA-N 0 3 284.238 -1.628 20 0 CAADHN O=C(NCC(F)(F)F)[C@H]1COC2(CNC2)CN1 ZINC001219553818 780229643 /nfs/dbraw/zinc/22/96/43/780229643.db2.gz NAYVTZZGFAFRKO-ZCFIWIBFSA-N 0 3 253.224 -1.005 20 0 CAADHN CC(C)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001219554249 780230865 /nfs/dbraw/zinc/23/08/65/780230865.db2.gz YILJZQVFMSNDQS-YIZRAAEISA-N 0 3 272.349 -1.146 20 0 CAADHN CC[NH+](CC)CCNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001219554082 780230988 /nfs/dbraw/zinc/23/09/88/780230988.db2.gz VEGGVAZVURNXHT-QMMMGPOBSA-N 0 3 255.326 -1.473 20 0 CAADHN CC[NH+](CC)CCNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001219554082 780230990 /nfs/dbraw/zinc/23/09/90/780230990.db2.gz VEGGVAZVURNXHT-QMMMGPOBSA-N 0 3 255.326 -1.473 20 0 CAADHN Cn1ccnc1CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219564295 780232058 /nfs/dbraw/zinc/23/20/58/780232058.db2.gz XEYRQYYXGWAARI-VIFPVBQESA-N 0 3 265.317 -1.633 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCn1ccnn1 ZINC001219565722 780232087 /nfs/dbraw/zinc/23/20/87/780232087.db2.gz NAHORALNRJTFIP-YUMQZZPRSA-N 0 3 297.319 -2.898 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)NCC(N)=O)COC1(C)C ZINC001219563687 780232117 /nfs/dbraw/zinc/23/21/17/780232117.db2.gz HWNBLKYDYVSCQD-BQBZGAKWSA-N 0 3 272.305 -2.101 20 0 CAADHN O=C(NCCn1ccnn1)[C@@H]1COC2(CNC2)CN1 ZINC001219565973 780232193 /nfs/dbraw/zinc/23/21/93/780232193.db2.gz RLWDMWVXVPCCLN-VIFPVBQESA-N 0 3 266.305 -2.275 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCCn1ccnc1 ZINC001219563574 780232757 /nfs/dbraw/zinc/23/27/57/780232757.db2.gz ASPVFAFCCXGJLR-SECBINFHSA-N 0 3 268.321 -1.225 20 0 CAADHN CNC(=O)NCCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001219566271 780232772 /nfs/dbraw/zinc/23/27/72/780232772.db2.gz UEYAWOMZFFGIBE-MNOVXSKESA-N 0 3 284.360 -1.123 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219572932 780234181 /nfs/dbraw/zinc/23/41/81/780234181.db2.gz CHDOOVWKYHJGES-LLVKDONJSA-N 0 3 295.343 -1.355 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NCCC(=O)N1CCOCC1 ZINC001219572932 780234186 /nfs/dbraw/zinc/23/41/86/780234186.db2.gz CHDOOVWKYHJGES-LLVKDONJSA-N 0 3 295.343 -1.355 20 0 CAADHN Cc1cc(C)n(CCNC(=O)[C@H]2COC3(CNC3)CN2)n1 ZINC001219595511 780235645 /nfs/dbraw/zinc/23/56/45/780235645.db2.gz DBFPTEBJOOFDPZ-GFCCVEGCSA-N 0 3 293.371 -1.053 20 0 CAADHN Cc1cc(CNC(=O)[C@H]2COC3(CNC3)CN2)no1 ZINC001219604610 780237074 /nfs/dbraw/zinc/23/70/74/780237074.db2.gz UGZXAOMZJIWENB-SNVBAGLBSA-N 0 3 266.301 -1.070 20 0 CAADHN Cc1cc(CNC(=O)[C@@H]2COC3(CNC3)CN2)no1 ZINC001219604609 780237164 /nfs/dbraw/zinc/23/71/64/780237164.db2.gz UGZXAOMZJIWENB-JTQLQIEISA-N 0 3 266.301 -1.070 20 0 CAADHN Cc1nnc(CC(=O)NC[C@]2(O)CCNC[C@@H]2F)[nH]1 ZINC001219615862 780237928 /nfs/dbraw/zinc/23/79/28/780237928.db2.gz GRPLYHZTUZVLSY-GZMMTYOYSA-N 0 3 271.296 -1.166 20 0 CAADHN Cc1nocc1CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001219608094 780238046 /nfs/dbraw/zinc/23/80/46/780238046.db2.gz OQPDQCGKFLWJHG-SNVBAGLBSA-N 0 3 266.301 -1.070 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611562 780238604 /nfs/dbraw/zinc/23/86/04/780238604.db2.gz ZWTYZNRFVHMCQS-YLWLKBPMSA-N 0 3 293.253 -1.520 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611562 780238611 /nfs/dbraw/zinc/23/86/11/780238611.db2.gz ZWTYZNRFVHMCQS-YLWLKBPMSA-N 0 3 293.253 -1.520 20 0 CAADHN CN1CCN(CC(=O)NC[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001219617360 780239460 /nfs/dbraw/zinc/23/94/60/780239460.db2.gz LQGBRIYWQOOSOP-WCQYABFASA-N 0 3 288.367 -1.588 20 0 CAADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)[C@H]1CNCc2ccnn21 ZINC001219616377 780240289 /nfs/dbraw/zinc/24/02/89/780240289.db2.gz ZIPCMRMFDVONOZ-NTZNESFSSA-N 0 3 297.334 -1.294 20 0 CAADHN CC1(C)CN[C@H](C(=O)NC[C@]2(O)CCNC[C@@H]2F)CO1 ZINC001219621945 780241099 /nfs/dbraw/zinc/24/10/99/780241099.db2.gz KLQIAFKAXHSJQK-OUJBWJOFSA-N 0 3 289.351 -1.068 20 0 CAADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)c1nnn2c1CNCC2 ZINC001219627856 780243026 /nfs/dbraw/zinc/24/30/26/780243026.db2.gz KJHIJBPLCCICKS-JOYOIKCWSA-N 0 3 298.322 -1.826 20 0 CAADHN CC(C)C[C@H](CO)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219631146 780243312 /nfs/dbraw/zinc/24/33/12/780243312.db2.gz SIYANFPNBUYLCY-MNOVXSKESA-N 0 3 271.361 -1.160 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635534 780243599 /nfs/dbraw/zinc/24/35/99/780243599.db2.gz KXPYEMXPHNGXJG-ACZMJKKPSA-N 0 3 257.273 -2.114 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635534 780243603 /nfs/dbraw/zinc/24/36/03/780243603.db2.gz KXPYEMXPHNGXJG-ACZMJKKPSA-N 0 3 257.273 -2.114 20 0 CAADHN O=C(NC[C@]1(O)CCNC[C@@H]1F)c1ncn2c1CNCC2 ZINC001219628528 780244349 /nfs/dbraw/zinc/24/43/49/780244349.db2.gz XVYZROCQTPLDLJ-GXFFZTMASA-N 0 3 297.334 -1.221 20 0 CAADHN COC(=O)c1csc(CNC(=O)[C@@H](N)CN)n1 ZINC001219666077 780245313 /nfs/dbraw/zinc/24/53/13/780245313.db2.gz CVKFCTNJRLLEEE-YFKPBYRVSA-N 0 3 258.303 -1.168 20 0 CAADHN C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001219642262 780245399 /nfs/dbraw/zinc/24/53/99/780245399.db2.gz QUGMVCKYCRMGDQ-VGMNWLOBSA-N 0 3 267.337 -1.569 20 0 CAADHN C[C@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001219642262 780245405 /nfs/dbraw/zinc/24/54/05/780245405.db2.gz QUGMVCKYCRMGDQ-VGMNWLOBSA-N 0 3 267.337 -1.569 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H](C)NC(=O)COC)[C@@H](O)C1 ZINC001219675126 780246475 /nfs/dbraw/zinc/24/64/75/780246475.db2.gz NPBKQNYPKSEUIT-AXFHLTTASA-N 0 3 287.360 -1.291 20 0 CAADHN C[C@@H](N)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219676347 780246508 /nfs/dbraw/zinc/24/65/08/780246508.db2.gz GXOKAVTXKMYFOT-MRVPVSSYSA-N 0 3 264.351 -2.315 20 0 CAADHN NC1(C(=O)NCCS(=O)(=O)N2CCNCC2)CC1 ZINC001219676309 780246746 /nfs/dbraw/zinc/24/67/46/780246746.db2.gz FIMRRKIXZMRJMK-UHFFFAOYSA-N 0 3 276.362 -2.171 20 0 CAADHN NC[C@H](N)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219676439 780247449 /nfs/dbraw/zinc/24/74/49/780247449.db2.gz KMPHPPUAWUJLKG-QMMMGPOBSA-N 0 3 279.366 -3.376 20 0 CAADHN O=C(NCc1cc[nH]n1)[C@@H]1COC2(CNC2)CN1 ZINC001219689538 780248084 /nfs/dbraw/zinc/24/80/84/780248084.db2.gz XAVWLRSVSPCHAO-VIFPVBQESA-N 0 3 251.290 -1.644 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCc1cc[nH]n1 ZINC001219689587 780248568 /nfs/dbraw/zinc/24/85/68/780248568.db2.gz ZHWQOBCUFRBMOK-MRVPVSSYSA-N 0 3 254.294 -1.198 20 0 CAADHN CCOC(=O)CCNC(=O)[C@H](N)CCCNC(N)=O ZINC001219690836 780248630 /nfs/dbraw/zinc/24/86/30/780248630.db2.gz CRVLRDZCPIQJAQ-MRVPVSSYSA-N 0 3 274.321 -1.168 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc[nH]n1 ZINC001219689171 780248759 /nfs/dbraw/zinc/24/87/59/780248759.db2.gz HUHRLGSNAQFIOI-XPUUQOCRSA-N 0 3 282.304 -2.267 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1(C(N)=O)CC1 ZINC001219681869 780248766 /nfs/dbraw/zinc/24/87/66/780248766.db2.gz DGKPHQYNNOQLQC-WDSKDSINSA-N 0 3 285.304 -3.172 20 0 CAADHN COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1O ZINC001219683708 780248955 /nfs/dbraw/zinc/24/89/55/780248955.db2.gz BIXIREHTQCRVJI-WCQGTBRESA-N 0 3 299.371 -1.291 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC1(C(N)=O)CC1 ZINC001219682172 780249163 /nfs/dbraw/zinc/24/91/63/780249163.db2.gz ITCSAEJRQSEJBH-CBAPKCEASA-N 0 3 270.333 -1.390 20 0 CAADHN CN1CCO[C@H](CNC(=O)[C@@H](N)Cc2c[nH]cn2)C1 ZINC001219694025 780249320 /nfs/dbraw/zinc/24/93/20/780249320.db2.gz DGQXLTQWLHHHGJ-MNOVXSKESA-N 0 3 267.333 -1.274 20 0 CAADHN CN1CCO[C@H](CNC(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001219694497 780250020 /nfs/dbraw/zinc/25/00/20/780250020.db2.gz KBJRFRFYIGJWQQ-AUSHCKSDSA-N 0 3 277.390 -1.471 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C1CC1 ZINC001219695187 780250352 /nfs/dbraw/zinc/25/03/52/780250352.db2.gz QMWMDCRCLWPAQL-ZKWXMUAHSA-N 0 3 270.333 -1.392 20 0 CAADHN COCCCN1C[C@@H](NC(=O)Cn2nccn2)[C@@H](O)C1 ZINC001219704850 780252087 /nfs/dbraw/zinc/25/20/87/780252087.db2.gz MHSSBXIIJJVIAO-MNOVXSKESA-N 0 3 283.332 -1.524 20 0 CAADHN CCN(CC)C[C@@H](F)C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001219724709 780253782 /nfs/dbraw/zinc/25/37/82/780253782.db2.gz YCDAKDCKCAUOFH-UTUOFQBUSA-N 0 3 291.367 -1.180 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736928 780254932 /nfs/dbraw/zinc/25/49/32/780254932.db2.gz LCMVLPZMZNLTKE-YUMQZZPRSA-N 0 3 281.320 -2.436 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219736928 780254935 /nfs/dbraw/zinc/25/49/35/780254935.db2.gz LCMVLPZMZNLTKE-YUMQZZPRSA-N 0 3 281.320 -2.436 20 0 CAADHN O=C(C[C@@H]1COCCN1)NCc1nnc2n1CCCNC2 ZINC001219749374 780256573 /nfs/dbraw/zinc/25/65/73/780256573.db2.gz MGQFJNXBCMWNEG-SNVBAGLBSA-N 0 3 294.359 -1.234 20 0 CAADHN O=C(C[C@H]1COCCN1)NCc1nnc2n1CCCNC2 ZINC001219749372 780256872 /nfs/dbraw/zinc/25/68/72/780256872.db2.gz MGQFJNXBCMWNEG-JTQLQIEISA-N 0 3 294.359 -1.234 20 0 CAADHN CNC(=O)NCC(=O)N[C@@H]1CN(CC[C@H](C)F)C[C@@H]1O ZINC001219755805 780259336 /nfs/dbraw/zinc/25/93/36/780259336.db2.gz NEWGPMZRJAIROM-AEJSXWLSSA-N 0 3 290.339 -1.175 20 0 CAADHN CCCCN1C[C@@H](NC(=O)CNC(=O)NC)[C@@H](O)C1 ZINC001219752168 780259713 /nfs/dbraw/zinc/25/97/13/780259713.db2.gz SXCLDSHFQKKLAN-ZJUUUORDSA-N 0 3 272.349 -1.123 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219768964 780259837 /nfs/dbraw/zinc/25/98/37/780259837.db2.gz RRYWOPVRSRPEHB-XVKPBYJWSA-N 0 3 271.300 -1.723 20 0 CAADHN O=C(CCc1c[nH]cn1)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001219769754 780260398 /nfs/dbraw/zinc/26/03/98/780260398.db2.gz ZMYCPBNXIPFYKT-NEPJUHHUSA-N 0 3 282.344 -1.114 20 0 CAADHN O=C(CCc1cnc[nH]1)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001219769754 780260404 /nfs/dbraw/zinc/26/04/04/780260404.db2.gz ZMYCPBNXIPFYKT-NEPJUHHUSA-N 0 3 282.344 -1.114 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](NC(=O)C2(N(C)C)CCC2)[C@@H](O)C1 ZINC001219798020 780260651 /nfs/dbraw/zinc/26/06/51/780260651.db2.gz CNLPIROMRLOVJI-AXFHLTTASA-N 0 3 298.387 -1.494 20 0 CAADHN C[C@@H](O)CN1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@@H](O)C1 ZINC001219774043 780260683 /nfs/dbraw/zinc/26/06/83/780260683.db2.gz BDXBOPUAZACSIJ-JLLWLGSASA-N 0 3 282.344 -1.116 20 0 CAADHN C[C@@H](O)CN1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@@H](O)C1 ZINC001219774043 780260689 /nfs/dbraw/zinc/26/06/89/780260689.db2.gz BDXBOPUAZACSIJ-JLLWLGSASA-N 0 3 282.344 -1.116 20 0 CAADHN COCCCN1C[C@@H](NC(=O)C[C@@H]2CCNC2=O)[C@@H](O)C1 ZINC001219792370 780261141 /nfs/dbraw/zinc/26/11/41/780261141.db2.gz HFSLBBYHUDZRGU-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN O=C(CCc1cnc[nH]1)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001219774565 780261186 /nfs/dbraw/zinc/26/11/86/780261186.db2.gz TWKUWYFXIMNZFG-MNOVXSKESA-N 0 3 268.317 -1.504 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219768963 780261448 /nfs/dbraw/zinc/26/14/48/780261448.db2.gz RRYWOPVRSRPEHB-OIBJUYFYSA-N 0 3 271.300 -1.723 20 0 CAADHN CN(C)[C@H](C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O)C1CC1 ZINC001219805955 780262224 /nfs/dbraw/zinc/26/22/24/780262224.db2.gz WWLGAUAXIRGTDC-AGIUHOORSA-N 0 3 285.388 -1.130 20 0 CAADHN NC[C@H](N)C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219805677 780263390 /nfs/dbraw/zinc/26/33/90/780263390.db2.gz BOAULBBLRZVCBD-VIFPVBQESA-N 0 3 280.332 -2.361 20 0 CAADHN COC(=O)[C@@H](N)CC(=O)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219847381 780267715 /nfs/dbraw/zinc/26/77/15/780267715.db2.gz FPTAUTLAQMGULD-FTYOSLGDSA-N 0 3 271.317 -1.488 20 0 CAADHN COCCCN1C[C@@H](NC(=O)c2cn[nH]c(=O)c2)[C@@H](O)C1 ZINC001219845751 780268217 /nfs/dbraw/zinc/26/82/17/780268217.db2.gz QYQHTBXKVVEVKS-MNOVXSKESA-N 0 3 296.327 -1.006 20 0 CAADHN COC(=O)[C@@H](NC(=O)C(N)C(F)(F)F)[C@@H](C)O ZINC001219879676 780270611 /nfs/dbraw/zinc/27/06/11/780270611.db2.gz JOGDTIQNPLIPRN-MROZADKFSA-N 0 3 258.196 -1.085 20 0 CAADHN CC[C@H](C(=O)N[C@@H]1CN(CCCO)C[C@@H]1O)N(C)C ZINC001219869934 780270784 /nfs/dbraw/zinc/27/07/84/780270784.db2.gz VSYYVWIZEYIKQQ-UTUOFQBUSA-N 0 3 273.377 -1.130 20 0 CAADHN CCOC(=O)CC(=N)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001219883506 780272282 /nfs/dbraw/zinc/27/22/82/780272282.db2.gz URYZTKWWOAFUFD-QMMMGPOBSA-N 0 3 284.316 -1.637 20 0 CAADHN Cn1cc2c(n1)[C@@H](CNC(=O)[C@@H](N)CN)OCC2 ZINC001219884939 780273325 /nfs/dbraw/zinc/27/33/25/780273325.db2.gz DUKVUBLLAKDPNS-DTWKUNHWSA-N 0 3 253.306 -1.564 20 0 CAADHN COC(=O)[C@@H](NC(=O)[C@@H](N)CC[S@@](C)=O)[C@@H](C)O ZINC001219880831 780273334 /nfs/dbraw/zinc/27/33/34/780273334.db2.gz LBJXHGSBRXXENG-HHBGPJJQSA-N 0 3 280.346 -1.879 20 0 CAADHN CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H](N)CC[S@@](C)=O)C1 ZINC001219889993 780274111 /nfs/dbraw/zinc/27/41/11/780274111.db2.gz DHZSFHDWCSEVOV-LTOUFWGNSA-N 0 3 287.385 -1.181 20 0 CAADHN CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001219891531 780275575 /nfs/dbraw/zinc/27/55/75/780275575.db2.gz WBZZPEUBSXVMAX-WDMOLILDSA-N 0 3 294.355 -1.946 20 0 CAADHN N[C@@H](C(=O)N[C@@H]1SC(=O)[N-]C1=O)C1CC[NH2+]CC1 ZINC001219903752 780275646 /nfs/dbraw/zinc/27/56/46/780275646.db2.gz GECMQJQJTOUBGB-HZGVNTEJSA-N 0 3 272.330 -1.261 20 0 CAADHN CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001219891451 780275816 /nfs/dbraw/zinc/27/58/16/780275816.db2.gz UQQYMFCMZABIFQ-CWSCBRNRSA-N 0 3 297.359 -1.501 20 0 CAADHN N[C@H](C(=O)N[C@H]1SC(=O)[N-]C1=O)C1CC[NH2+]CC1 ZINC001219903755 780275872 /nfs/dbraw/zinc/27/58/72/780275872.db2.gz GECMQJQJTOUBGB-RCOVLWMOSA-N 0 3 272.330 -1.261 20 0 CAADHN NC[C@H](N)C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219918831 780276909 /nfs/dbraw/zinc/27/69/09/780276909.db2.gz RVSYIILGLDBHER-KOLCDFICSA-N 0 3 253.302 -1.172 20 0 CAADHN O=C(N[C@H]1SC(=O)[N-]C1=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219904691 780277204 /nfs/dbraw/zinc/27/72/04/780277204.db2.gz ZHBMLXSNKNAJNF-XNCJUZBTSA-N 0 3 270.314 -1.779 20 0 CAADHN O=C(N[C@H]1SC(=O)[N-]C1=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219904692 780277362 /nfs/dbraw/zinc/27/73/62/780277362.db2.gz ZHBMLXSNKNAJNF-XRGYYRRGSA-N 0 3 270.314 -1.779 20 0 CAADHN NC[C@H](N)C(=O)NCCNC(=O)c1ccncc1 ZINC001219936854 780278519 /nfs/dbraw/zinc/27/85/19/780278519.db2.gz WLQMZUTWRGWIAE-VIFPVBQESA-N 0 3 251.290 -1.786 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945626 780279280 /nfs/dbraw/zinc/27/92/80/780279280.db2.gz ONGMRHBUUBOHKF-CBAPKCEASA-N 0 3 270.314 -1.294 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945627 780279417 /nfs/dbraw/zinc/27/94/17/780279417.db2.gz ONGMRHBUUBOHKF-IONNQARKSA-N 0 3 270.314 -1.294 20 0 CAADHN Cc1cc(CNC(=O)[C@H]2COC3(CNC3)CN2)[nH]n1 ZINC001219943763 780279619 /nfs/dbraw/zinc/27/96/19/780279619.db2.gz XZFVXNYMPSANTP-SNVBAGLBSA-N 0 3 265.317 -1.335 20 0 CAADHN O=C(N[C@@H]1C=CS(=O)(=O)C1)[C@@H]1COC2(CNC2)CN1 ZINC001219945848 780279904 /nfs/dbraw/zinc/27/99/04/780279904.db2.gz VOEHRKSWDCPEIU-BDAKNGLRSA-N 0 3 287.341 -2.256 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959438 780281015 /nfs/dbraw/zinc/28/10/15/780281015.db2.gz VBZQFACFYWVXDZ-RNJXMRFFSA-N 0 3 299.331 -2.911 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC[C@H]1CCC(=O)N1 ZINC001219959218 780281205 /nfs/dbraw/zinc/28/12/05/780281205.db2.gz MYPXVODMYNJFEW-QTDQWHRXSA-N 0 3 261.347 -1.523 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959437 780281196 /nfs/dbraw/zinc/28/11/96/780281196.db2.gz VBZQFACFYWVXDZ-FXQIFTODSA-N 0 3 299.331 -2.911 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959364 780281287 /nfs/dbraw/zinc/28/12/87/780281287.db2.gz RSCJHXDSCQGWDC-IONNQARKSA-N 0 3 251.290 -1.326 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCC(=O)N1 ZINC001219959364 780281293 /nfs/dbraw/zinc/28/12/93/780281293.db2.gz RSCJHXDSCQGWDC-IONNQARKSA-N 0 3 251.290 -1.326 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC[C@H]2CCC(=O)N2)C1=O ZINC001219959282 780281305 /nfs/dbraw/zinc/28/13/05/780281305.db2.gz PGSNUYBPDCWWBD-ZJUUUORDSA-N 0 3 282.344 -1.279 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001219961427 780282460 /nfs/dbraw/zinc/28/24/60/780282460.db2.gz KHSVDIQWACGUDI-MRVPVSSYSA-N 0 3 275.334 -2.055 20 0 CAADHN CNS(=O)(=O)CCNC(=O)[C@H](N)Cc1cnc[nH]1 ZINC001219961427 780282467 /nfs/dbraw/zinc/28/24/67/780282467.db2.gz KHSVDIQWACGUDI-MRVPVSSYSA-N 0 3 275.334 -2.055 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](N)Cc2c[nH]cn2)CN1 ZINC001219965532 780282641 /nfs/dbraw/zinc/28/26/41/780282641.db2.gz RAOQKFOMTVQDTP-BBBLOLIVSA-N 0 3 281.316 -1.701 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219968027 780283866 /nfs/dbraw/zinc/28/38/66/780283866.db2.gz SRVNHKKWKYQRLR-ONGXEEELSA-N 0 3 292.343 -1.082 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969692 780283946 /nfs/dbraw/zinc/28/39/46/780283946.db2.gz IYQLYFXOCCYRHC-BLBZPCKPSA-N 0 3 288.373 -1.290 20 0 CAADHN NC1(C(=O)NCCCc2c[n-][nH]c2=O)CC[NH2+]CC1 ZINC001219969646 780284391 /nfs/dbraw/zinc/28/43/91/780284391.db2.gz IBRPQILGXMNBSY-VIFPVBQESA-N 0 3 267.333 -1.305 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001219968320 780284789 /nfs/dbraw/zinc/28/47/89/780284789.db2.gz ZSLLEXDZVYQHRP-KWBADKCTSA-N 0 3 279.344 -1.434 20 0 CAADHN O=C(NCCCc1c[n-][nH]c1=O)[C@H]1C[NH2+]C[C@H]1O ZINC001219969569 780284914 /nfs/dbraw/zinc/28/49/14/780284914.db2.gz FMMRQUIBASPWHE-XHNCKOQMSA-N 0 3 254.290 -1.805 20 0 CAADHN O=C(CNC1CC[NH2+]CC1)NCCCc1c[n-][nH]c1=O ZINC001219968044 780285079 /nfs/dbraw/zinc/28/50/79/780285079.db2.gz TXLICYZHAKVENK-JTQLQIEISA-N 0 3 281.360 -1.044 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)NCCON)COC1(C)C ZINC001219969732 780285750 /nfs/dbraw/zinc/28/57/50/780285750.db2.gz KXNXPXUDYPBPNT-YUMQZZPRSA-N 0 3 274.321 -1.696 20 0 CAADHN CCn1c(N)c(NC(=O)[C@@H](N)CN)c(=O)n(CC)c1=O ZINC001219972270 780285958 /nfs/dbraw/zinc/28/59/58/780285958.db2.gz NKNXUZOIYWUKGK-LURJTMIESA-N 0 3 284.320 -2.144 20 0 CAADHN C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001219978041 780286049 /nfs/dbraw/zinc/28/60/49/780286049.db2.gz ATVDJAXKNRMNEU-UWVGGRQHSA-N 0 3 281.364 -1.082 20 0 CAADHN C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001219978041 780286057 /nfs/dbraw/zinc/28/60/57/780286057.db2.gz ATVDJAXKNRMNEU-UWVGGRQHSA-N 0 3 281.364 -1.082 20 0 CAADHN C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001219978041 780286062 /nfs/dbraw/zinc/28/60/62/780286062.db2.gz ATVDJAXKNRMNEU-UWVGGRQHSA-N 0 3 281.364 -1.082 20 0 CAADHN C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001219978041 780286067 /nfs/dbraw/zinc/28/60/67/780286067.db2.gz ATVDJAXKNRMNEU-UWVGGRQHSA-N 0 3 281.364 -1.082 20 0 CAADHN NC[C@H](N)C(=O)NCC(=O)N1CCc2ccccc21 ZINC001219978976 780286370 /nfs/dbraw/zinc/28/63/70/780286370.db2.gz XBAHHAJVQCXIJS-JTQLQIEISA-N 0 3 262.313 -1.022 20 0 CAADHN C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001219978042 780286484 /nfs/dbraw/zinc/28/64/84/780286484.db2.gz ATVDJAXKNRMNEU-ZJUUUORDSA-N 0 3 281.364 -1.082 20 0 CAADHN C[N@H+]1CCC[C@H](CCNC(=O)[C@@H](N)Cc2nnn[n-]2)C1 ZINC001219978042 780286490 /nfs/dbraw/zinc/28/64/90/780286490.db2.gz ATVDJAXKNRMNEU-ZJUUUORDSA-N 0 3 281.364 -1.082 20 0 CAADHN C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001219978042 780286496 /nfs/dbraw/zinc/28/64/96/780286496.db2.gz ATVDJAXKNRMNEU-ZJUUUORDSA-N 0 3 281.364 -1.082 20 0 CAADHN C[N@H+]1CCC[C@H](CCNC(=O)[C@@H](N)Cc2nn[n-]n2)C1 ZINC001219978042 780286501 /nfs/dbraw/zinc/28/65/01/780286501.db2.gz ATVDJAXKNRMNEU-ZJUUUORDSA-N 0 3 281.364 -1.082 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969693 780286664 /nfs/dbraw/zinc/28/66/64/780286664.db2.gz IYQLYFXOCCYRHC-MGOSUKFUSA-N 0 3 288.373 -1.290 20 0 CAADHN CN1C[C@@H](NC(=O)[C@@H]2COC3(CNC3)CN2)CCC1=O ZINC001220006727 780289322 /nfs/dbraw/zinc/28/93/22/780289322.db2.gz BEKXEUSCGMBJFN-UWVGGRQHSA-N 0 3 282.344 -1.946 20 0 CAADHN CN1C[C@H](NC(=O)[C@H](N)CCCNC(N)=O)CCC1=O ZINC001220006793 780289470 /nfs/dbraw/zinc/28/94/70/780289470.db2.gz CLDRCDNRULFOGB-RKDXNWHRSA-N 0 3 285.348 -1.501 20 0 CAADHN O=C(NCc1cncnc1)[C@H]1COC2(CNC2)CN1 ZINC001220006846 780289514 /nfs/dbraw/zinc/28/95/14/780289514.db2.gz DLMLSKNENVJUSB-SNVBAGLBSA-N 0 3 263.301 -1.577 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCc1cncnc1 ZINC001220007588 780289528 /nfs/dbraw/zinc/28/95/28/780289528.db2.gz QBXRECZUZAEARI-SECBINFHSA-N 0 3 266.305 -1.131 20 0 CAADHN O=C(NCc1cncnc1)[C@@H]1COC2(CNC2)CN1 ZINC001220006844 780289664 /nfs/dbraw/zinc/28/96/64/780289664.db2.gz DLMLSKNENVJUSB-JTQLQIEISA-N 0 3 263.301 -1.577 20 0 CAADHN CN1C[C@H](NC(=O)[C@@H](N)CC[S@](C)=O)CCC1=O ZINC001220006966 780289801 /nfs/dbraw/zinc/28/98/01/780289801.db2.gz GTLYMLQEVIZFRF-IDHHQXPSSA-N 0 3 275.374 -1.181 20 0 CAADHN CCOC(=O)c1nnc(CNC(=O)[C@@H](N)CN)o1 ZINC001220011176 780289908 /nfs/dbraw/zinc/28/99/08/780289908.db2.gz RKPICZSZBICYPP-YFKPBYRVSA-N 0 3 257.250 -1.852 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccncn1 ZINC001220004839 780290072 /nfs/dbraw/zinc/29/00/72/780290072.db2.gz GQZUZMXHYIJMOX-CBAPKCEASA-N 0 3 294.315 -2.200 20 0 CAADHN CN1C[C@@H](NC(=O)[C@H]2COC3(CNC3)CN2)CCC1=O ZINC001220006728 780290084 /nfs/dbraw/zinc/29/00/84/780290084.db2.gz BEKXEUSCGMBJFN-VHSXEESVSA-N 0 3 282.344 -1.946 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NC1(CO)CCOCC1 ZINC001220016290 780290471 /nfs/dbraw/zinc/29/04/71/780290471.db2.gz JSIFTNGTJNUIAF-JTQLQIEISA-N 0 3 268.317 -1.063 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC1(CO)CCOCC1 ZINC001220016290 780290480 /nfs/dbraw/zinc/29/04/80/780290480.db2.gz JSIFTNGTJNUIAF-JTQLQIEISA-N 0 3 268.317 -1.063 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC1(CO)CCOCC1 ZINC001220015635 780290597 /nfs/dbraw/zinc/29/05/97/780290597.db2.gz FLCFWMYQTMPLMO-SECBINFHSA-N 0 3 288.348 -1.580 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC2(CO)CCOCC2)C1=O ZINC001220018537 780290675 /nfs/dbraw/zinc/29/06/75/780290675.db2.gz HOMAJPXSRMVSAS-NSHDSACASA-N 0 3 299.371 -1.016 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)NC2CN(C)C2)COC1(C)C ZINC001220013043 780291171 /nfs/dbraw/zinc/29/11/71/780291171.db2.gz HABWZBLZSFBETG-WPRPVWTQSA-N 0 3 284.360 -1.273 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC1(CO)CCOCC1 ZINC001220018460 780291414 /nfs/dbraw/zinc/29/14/14/780291414.db2.gz DXUYYDZEAVGMTG-NIVTXAMTSA-N 0 3 278.374 -1.260 20 0 CAADHN O=C(NC[C@H]1CCOC1)[C@H]1COC2(CNC2)CN1 ZINC001220020282 780291462 /nfs/dbraw/zinc/29/14/62/780291462.db2.gz CXFLASDHDPTPBO-NXEZZACHSA-N 0 3 255.318 -1.531 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cccnn1 ZINC001220018687 780291632 /nfs/dbraw/zinc/29/16/32/780291632.db2.gz ODPPNMIBBPBUAT-CBAPKCEASA-N 0 3 294.315 -2.200 20 0 CAADHN O=C(NCc1cccnn1)[C@H]1COC2(CNC2)CN1 ZINC001220018637 780291647 /nfs/dbraw/zinc/29/16/47/780291647.db2.gz LTWHPCNMWBJPLO-SNVBAGLBSA-N 0 3 263.301 -1.577 20 0 CAADHN O=C(NC1(CO)CCOCC1)[C@H]1COC2(CNC2)CN1 ZINC001220018845 780292054 /nfs/dbraw/zinc/29/20/54/780292054.db2.gz WBLIAGAAJSZGAM-SNVBAGLBSA-N 0 3 285.344 -2.026 20 0 CAADHN CC(C)[C@](C)(NC(=O)[C@@H]1COC2(CNC2)CN1)C(N)=O ZINC001220022319 780292855 /nfs/dbraw/zinc/29/28/55/780292855.db2.gz FOOHXXKRQCXCMW-CABZTGNLSA-N 0 3 284.360 -1.667 20 0 CAADHN CC(C)[C@](C)(NC(=O)[C@H]1COC2(CNC2)CN1)C(N)=O ZINC001220022323 780293301 /nfs/dbraw/zinc/29/33/01/780293301.db2.gz FOOHXXKRQCXCMW-SKDRFNHKSA-N 0 3 284.360 -1.667 20 0 CAADHN N[C@H](C(=O)N[C@H]1CCC(=O)NC1=O)C1CCC(O)CC1 ZINC001220028371 780293996 /nfs/dbraw/zinc/29/39/96/780293996.db2.gz QJEZVALYRAEHLW-CAUGXEKISA-N 0 3 283.328 -1.214 20 0 CAADHN O=C(N[C@@H]1CCC(=O)NC1=O)[C@@H]1C[C@@H](F)CCN1 ZINC001220028301 780294147 /nfs/dbraw/zinc/29/41/47/780294147.db2.gz NGBPZLOKXCKRLY-RNJXMRFFSA-N 0 3 257.265 -1.002 20 0 CAADHN C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H]1CO[N-]C1=O ZINC001220027920 780294654 /nfs/dbraw/zinc/29/46/54/780294654.db2.gz GKLRXTLZDFBZPC-DTWKUNHWSA-N 0 3 258.322 -1.408 20 0 CAADHN O=C(N[C@H]1CCC(=O)NC1=O)[C@@H]1COC2(CNC2)CN1 ZINC001220028323 780294795 /nfs/dbraw/zinc/29/47/95/780294795.db2.gz OLCWMYYHXLSGBK-YUMQZZPRSA-N 0 3 282.300 -2.762 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NCC(C)(C)C(N)=O ZINC001220034172 780295742 /nfs/dbraw/zinc/29/57/42/780295742.db2.gz WCLBTYCBBSFLJW-SKLCBMLGSA-N 0 3 263.363 -1.290 20 0 CAADHN CC(C)(CNC(=O)[C@H]1COC2(CNC2)CN1)C(N)=O ZINC001220033173 780295789 /nfs/dbraw/zinc/29/57/89/780295789.db2.gz JLYYUDCKGUHUKQ-MRVPVSSYSA-N 0 3 270.333 -2.056 20 0 CAADHN CC(C)(CNC(=O)[C@@H]1COC2(CNC2)CN1)C(N)=O ZINC001220033174 780295836 /nfs/dbraw/zinc/29/58/36/780295836.db2.gz JLYYUDCKGUHUKQ-QMMMGPOBSA-N 0 3 270.333 -2.056 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NCC(C)(C)C(N)=O ZINC001220033359 780295845 /nfs/dbraw/zinc/29/58/45/780295845.db2.gz LGEFWYXAJGZOJV-VIFPVBQESA-N 0 3 267.333 -1.082 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H]1CCC(=O)NC1=O ZINC001220030602 780296025 /nfs/dbraw/zinc/29/60/25/780296025.db2.gz LFWOQYZWTZSPRL-RNSXUZJQSA-N 0 3 298.343 -1.603 20 0 CAADHN Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220043342 780297325 /nfs/dbraw/zinc/29/73/25/780297325.db2.gz OAOCSRLBAYZWQD-ZETCQYMHSA-N 0 3 277.292 -2.147 20 0 CAADHN Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220043342 780297327 /nfs/dbraw/zinc/29/73/27/780297327.db2.gz OAOCSRLBAYZWQD-ZETCQYMHSA-N 0 3 277.292 -2.147 20 0 CAADHN N=c1cc(C[NH3+])ccn1C(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220045411 780297539 /nfs/dbraw/zinc/29/75/39/780297539.db2.gz YNHYFKLQHQVIKJ-ZETCQYMHSA-N 0 3 262.277 -1.850 20 0 CAADHN N=c1cc(C[NH3+])ccn1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220045411 780297546 /nfs/dbraw/zinc/29/75/46/780297546.db2.gz YNHYFKLQHQVIKJ-ZETCQYMHSA-N 0 3 262.277 -1.850 20 0 CAADHN CCOC(=O)C(C)(C)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220063903 780298593 /nfs/dbraw/zinc/29/85/93/780298593.db2.gz JDFBATFSIPAZTP-VIFPVBQESA-N 0 3 285.344 -1.225 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)CCn2ncn(C)c2=O)[C@@H](O)C1 ZINC001220066531 780298680 /nfs/dbraw/zinc/29/86/80/780298680.db2.gz KTDKMHNXDWUAEA-MNOVXSKESA-N 0 3 297.359 -1.458 20 0 CAADHN O=C(CCCCc1cn[nH]n1)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001220062731 780299868 /nfs/dbraw/zinc/29/98/68/780299868.db2.gz CKRCEFLIHXUZKE-NEPJUHHUSA-N 0 3 297.359 -1.329 20 0 CAADHN O=C(N[C@@H]1CCC[C@@H]1O)[C@H]1COC2(CNC2)CN1 ZINC001220099622 780302141 /nfs/dbraw/zinc/30/21/41/780302141.db2.gz VBSSLABDUAQKFO-BBBLOLIVSA-N 0 3 255.318 -1.654 20 0 CAADHN C[C@H]1[C@H](NC(=O)[C@H](N)CCC[NH3+])C(=O)N1S(=O)(=O)[O-] ZINC001220099525 780302634 /nfs/dbraw/zinc/30/26/34/780302634.db2.gz QHGRCSUKQVPRET-XVMARJQXSA-N 0 3 294.333 -2.429 20 0 CAADHN C[C@H]1[C@H](NC(=O)[C@@H](N)CCC[NH3+])C(=O)N1S(=O)(=O)[O-] ZINC001220099524 780302888 /nfs/dbraw/zinc/30/28/88/780302888.db2.gz QHGRCSUKQVPRET-ACZMJKKPSA-N 0 3 294.333 -2.429 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC(CO)(CO)CO)C1=O ZINC001220108378 780303913 /nfs/dbraw/zinc/30/39/13/780303913.db2.gz OGJIIYVOYORBFX-VIFPVBQESA-N 0 3 289.332 -2.842 20 0 CAADHN COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](N)CCC[NH3+] ZINC001220104631 780304248 /nfs/dbraw/zinc/30/42/48/780304248.db2.gz JEJFITKEKYDTBN-YUMQZZPRSA-N 0 3 275.305 -1.425 20 0 CAADHN O=C(NC(CO)(CO)CO)[C@@H]1C[C@@H](F)CCN1 ZINC001220106300 780304761 /nfs/dbraw/zinc/30/47/61/780304761.db2.gz IGCREDUAVTXZES-YUMQZZPRSA-N 0 3 250.270 -2.092 20 0 CAADHN CCC(CO)(CO)NC(=O)[C@@H](N)Cc1cncn1C ZINC001220109768 780305686 /nfs/dbraw/zinc/30/56/86/780305686.db2.gz JBCVLPMUUFPWOQ-JTQLQIEISA-N 0 3 270.333 -1.461 20 0 CAADHN NC[C@H](N)C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220117284 780305921 /nfs/dbraw/zinc/30/59/21/780305921.db2.gz GBLCUWRGRMRLFR-KOLCDFICSA-N 0 3 253.302 -1.302 20 0 CAADHN CCC(CO)(CO)NC(=O)[C@H](N)Cc1c[nH]cn1 ZINC001220110058 780306125 /nfs/dbraw/zinc/30/61/25/780306125.db2.gz QAQKOLQXMCCUCD-SECBINFHSA-N 0 3 256.306 -1.471 20 0 CAADHN CCC(CO)(CO)NC(=O)[C@H](N)Cc1cnc[nH]1 ZINC001220110058 780306129 /nfs/dbraw/zinc/30/61/29/780306129.db2.gz QAQKOLQXMCCUCD-SECBINFHSA-N 0 3 256.306 -1.471 20 0 CAADHN N[C@H](C(=O)NC(CO)(CO)CO)C1Cc2ccccc2C1 ZINC001220108459 780306344 /nfs/dbraw/zinc/30/63/44/780306344.db2.gz RKSHLPHDXVWUDB-ZDUSSCGKSA-N 0 3 294.351 -1.439 20 0 CAADHN O=C(NCCOC(F)(F)F)[C@@H]1COC2(CNC2)CN1 ZINC001220139285 780307181 /nfs/dbraw/zinc/30/71/81/780307181.db2.gz PNCPQCNOBDDYIP-ZETCQYMHSA-N 0 3 283.250 -1.031 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001220130347 780307236 /nfs/dbraw/zinc/30/72/36/780307236.db2.gz VQRYQRCFPOCDEB-AXFHLTTASA-N 0 3 285.344 -1.680 20 0 CAADHN O=C(NCCOC(F)(F)F)[C@H]1COC2(CNC2)CN1 ZINC001220139284 780307904 /nfs/dbraw/zinc/30/79/04/780307904.db2.gz PNCPQCNOBDDYIP-SSDOTTSWSA-N 0 3 283.250 -1.031 20 0 CAADHN O=C(NCC1(F)CCOCC1)[C@H]1COC2(CNC2)CN1 ZINC001220136865 780308073 /nfs/dbraw/zinc/30/80/73/780308073.db2.gz JQSNBFFDSJFNPZ-SNVBAGLBSA-N 0 3 287.335 -1.048 20 0 CAADHN CCOCCCN1C[C@@H](NC(=O)[C@H]2CCNC2=O)[C@@H](O)C1 ZINC001220130061 780308170 /nfs/dbraw/zinc/30/81/70/780308170.db2.gz LJMTZFHQWCNHDM-TUAOUCFPSA-N 0 3 299.371 -1.290 20 0 CAADHN CO[C@@H]1COCC[C@H]1NC(=O)[C@H](N)CCCNC(N)=O ZINC001220141295 780309643 /nfs/dbraw/zinc/30/96/43/780309643.db2.gz JRXDCFLHYZNHKS-OPRDCNLKSA-N 0 3 288.348 -1.318 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143469 780310805 /nfs/dbraw/zinc/31/08/05/780310805.db2.gz JHZHAISIHLPTQU-SNVBAGLBSA-N 0 3 298.368 -1.027 20 0 CAADHN C[C@@]1(O)C[C@H](NC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001220149944 780311899 /nfs/dbraw/zinc/31/18/99/780311899.db2.gz JUQFRKIBRKVUCX-XLDPMVHQSA-N 0 3 258.322 -1.208 20 0 CAADHN C[C@@]1(O)C[C@H](NC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001220149748 780311919 /nfs/dbraw/zinc/31/19/19/780311919.db2.gz AXLQOVYSJDUNEW-ATZCPNFKSA-N 0 3 255.318 -1.654 20 0 CAADHN O=C(NCc1cn[nH]c1)[C@@H]1COC2(CNC2)CN1 ZINC001220147927 780311963 /nfs/dbraw/zinc/31/19/63/780311963.db2.gz LBYXAGPAVCMPME-VIFPVBQESA-N 0 3 251.290 -1.644 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC1CN(S(C)(=O)=O)C1 ZINC001220146027 780312072 /nfs/dbraw/zinc/31/20/72/780312072.db2.gz ZWJRGNOKVJGMJU-WNWIJWBNSA-N 0 3 297.402 -2.158 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cn[nH]c1 ZINC001220148346 780312613 /nfs/dbraw/zinc/31/26/13/780312613.db2.gz XNJKPCFUOADZOI-XPUUQOCRSA-N 0 3 282.304 -2.267 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@@H]2CCC(=O)N2C)[C@@H](O)C1 ZINC001220151436 780312710 /nfs/dbraw/zinc/31/27/10/780312710.db2.gz RSHPZPFDKSPUGL-WOPDTQHZSA-N 0 3 299.371 -1.195 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC1CC(CO)(CO)C1 ZINC001220152228 780312942 /nfs/dbraw/zinc/31/29/42/780312942.db2.gz ZGIPFBGBUCKHKV-NSHDSACASA-N 0 3 282.344 -1.461 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N[C@H]2C[C@H](O)C2)C1=O ZINC001220156614 780313541 /nfs/dbraw/zinc/31/35/41/780313541.db2.gz CXPHZLZLWXDFFZ-GUBZILKMSA-N 0 3 255.318 -1.034 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2C[C@H](O)C2)COC1(C)C ZINC001220156573 780314123 /nfs/dbraw/zinc/31/41/23/780314123.db2.gz APAAZCNTXFBFHL-XKNYDFJKSA-N 0 3 285.344 -1.063 20 0 CAADHN N=C(NC(=O)[C@@H]1COC2(CNC2)CN1)c1nccs1 ZINC001220153921 780314139 /nfs/dbraw/zinc/31/41/39/780314139.db2.gz DISUGBQEXONDFH-ZETCQYMHSA-N 0 3 281.341 -1.085 20 0 CAADHN CC(C)N1CC(NC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001220159993 780314191 /nfs/dbraw/zinc/31/41/91/780314191.db2.gz UHRCUEXNRNOPDL-SNVBAGLBSA-N 0 3 271.365 -1.029 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC2(CCO)COC2)C1=O ZINC001220173249 780315597 /nfs/dbraw/zinc/31/55/97/780315597.db2.gz LJKBVWLNGVGUBA-JTQLQIEISA-N 0 3 285.344 -1.406 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC1(CCO)COC1 ZINC001220173186 780315853 /nfs/dbraw/zinc/31/58/53/780315853.db2.gz KIDHDVXEKYPGFJ-QPFGOUBPSA-N 0 3 264.347 -1.650 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC1(CCO)COC1 ZINC001220174031 780316095 /nfs/dbraw/zinc/31/60/95/780316095.db2.gz UQXAOKPMXKFNTC-JTQLQIEISA-N 0 3 268.317 -1.443 20 0 CAADHN O=C(NCC1CC(=O)C1)[C@H]1COC2(CNC2)CN1 ZINC001220177663 780316955 /nfs/dbraw/zinc/31/69/55/780316955.db2.gz SPWULCILUXMJLC-SNVBAGLBSA-N 0 3 253.302 -1.588 20 0 CAADHN O=C(NCC1CC(=O)C1)[C@@H]1COC2(CNC2)CN1 ZINC001220177662 780317095 /nfs/dbraw/zinc/31/70/95/780317095.db2.gz SPWULCILUXMJLC-JTQLQIEISA-N 0 3 253.302 -1.588 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N[C@H]1COCC[C@@H]1O ZINC001220181189 780317193 /nfs/dbraw/zinc/31/71/93/780317193.db2.gz DKXNCUHMGJWVMT-LYJZTYBXSA-N 0 3 264.347 -1.652 20 0 CAADHN Cn1ccc(CNC(=O)[C@H]2COC3(CNC3)CN2)cc1=O ZINC001220178945 780317203 /nfs/dbraw/zinc/31/72/03/780317203.db2.gz APSSEAFPVPQJDY-LLVKDONJSA-N 0 3 292.339 -1.668 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC(=N)c1ncc[nH]1 ZINC001220181091 780317221 /nfs/dbraw/zinc/31/72/21/780317221.db2.gz AIRIHSIGYQNNKY-QVHKOIDPSA-N 0 3 257.319 -1.053 20 0 CAADHN N=C(NC(=O)[C@@H]1COC2(CNC2)CN1)c1ncc[nH]1 ZINC001220181575 780317694 /nfs/dbraw/zinc/31/76/94/780317694.db2.gz URTAJVZSZXEYOQ-ZETCQYMHSA-N 0 3 264.289 -1.818 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N[C@H]2COCC[C@@H]2O)C1=O ZINC001220181237 780317865 /nfs/dbraw/zinc/31/78/65/780317865.db2.gz GFDHOVWWRRLPAZ-DCAQKATOSA-N 0 3 285.344 -1.408 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202449 780318167 /nfs/dbraw/zinc/31/81/67/780318167.db2.gz CGGUGBVZZFRVNF-WFKSXWRXSA-N 0 3 261.347 -1.665 20 0 CAADHN NC[C@H](N)C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220183497 780318179 /nfs/dbraw/zinc/31/81/79/780318179.db2.gz QRBROBUISQZCLE-NSHDSACASA-N 0 3 266.301 -1.239 20 0 CAADHN C[C@H](NC(=O)[C@@H]1COC2(CNC2)CN1)c1cncnc1 ZINC001220183809 780319187 /nfs/dbraw/zinc/31/91/87/780319187.db2.gz ZILNLCNZZREMGP-ONGXEEELSA-N 0 3 277.328 -1.016 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@H]1C[C@@H](O)C1 ZINC001220192048 780319248 /nfs/dbraw/zinc/31/92/48/780319248.db2.gz XOCYMRSLVCAKNG-HRDYMLBCSA-N 0 3 258.322 -1.351 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@H]1CNC(=O)C1 ZINC001220202623 780320457 /nfs/dbraw/zinc/32/04/57/780320457.db2.gz GMWILBURGCWRMO-SBMIAAHKSA-N 0 3 284.360 -1.272 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@H]1CNC(=O)C1 ZINC001220203140 780320474 /nfs/dbraw/zinc/32/04/74/780320474.db2.gz WZMPEVRFQQVWMG-SCZZXKLOSA-N 0 3 265.317 -1.458 20 0 CAADHN O=C(NC1(c2cccnn2)CC1)[C@@H]1COC2(CNC2)CN1 ZINC001220210035 780320713 /nfs/dbraw/zinc/32/07/13/780320713.db2.gz OHPIWSRCZCIGMX-JTQLQIEISA-N 0 3 289.339 -1.088 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202767 780320837 /nfs/dbraw/zinc/32/08/37/780320837.db2.gz JZDWIPMCMPFZBP-CBAPKCEASA-N 0 3 251.290 -1.468 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CNC(=O)C1 ZINC001220202767 780320841 /nfs/dbraw/zinc/32/08/41/780320841.db2.gz JZDWIPMCMPFZBP-CBAPKCEASA-N 0 3 251.290 -1.468 20 0 CAADHN CC(C)(C)[C@H](CO)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220217384 780322224 /nfs/dbraw/zinc/32/22/24/780322224.db2.gz YFWLBELWJVBFCL-ZJUUUORDSA-N 0 3 271.361 -1.160 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC[C@@H]1COCCN1 ZINC001220429410 780348826 /nfs/dbraw/zinc/34/88/26/780348826.db2.gz RBMICCSTNZRHME-KSRUKNBBSA-N 0 3 263.363 -1.813 20 0 CAADHN CN1C[C@H](CNC(=O)[C@@H](N)CC[S@@](C)=O)CC1=O ZINC001220245274 780324544 /nfs/dbraw/zinc/32/45/44/780324544.db2.gz MHFGUBRPLFJVQT-VXAXSWHGSA-N 0 3 275.374 -1.323 20 0 CAADHN CN1C[C@@H](CNC(=O)[C@H](N)Cc2c[nH]cn2)CC1=O ZINC001220245074 780324879 /nfs/dbraw/zinc/32/48/79/780324879.db2.gz FKTNHRIHEDMQFP-PSASIEDQSA-N 0 3 265.317 -1.126 20 0 CAADHN CN1C[C@@H](CNC(=O)[C@H](N)Cc2cnc[nH]2)CC1=O ZINC001220245074 780324887 /nfs/dbraw/zinc/32/48/87/780324887.db2.gz FKTNHRIHEDMQFP-PSASIEDQSA-N 0 3 265.317 -1.126 20 0 CAADHN CN1C[C@H](CNC(=O)[C@@H](N)CC[S@](C)=O)CC1=O ZINC001220245275 780324912 /nfs/dbraw/zinc/32/49/12/780324912.db2.gz MHFGUBRPLFJVQT-ZMFHDSSTSA-N 0 3 275.374 -1.323 20 0 CAADHN CN1C[C@H](CNC(=O)[C@H](N)CCCNC(N)=O)CC1=O ZINC001220245854 780325735 /nfs/dbraw/zinc/32/57/35/780325735.db2.gz WMLVMKHAOXLOIK-DTWKUNHWSA-N 0 3 285.348 -1.643 20 0 CAADHN O=C(NCc1nnc[n-]1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220250035 780326825 /nfs/dbraw/zinc/32/68/25/780326825.db2.gz LHEXNKBUTJBPMI-ZETCQYMHSA-N 0 3 252.278 -2.249 20 0 CAADHN N[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)C1CC[NH2+]CC1 ZINC001220251798 780326869 /nfs/dbraw/zinc/32/68/69/780326869.db2.gz FWYXWDUNWYYTHI-QMMMGPOBSA-N 0 3 254.294 -1.547 20 0 CAADHN C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)Cc1nnn[n-]1 ZINC001220254660 780326890 /nfs/dbraw/zinc/32/68/90/780326890.db2.gz TVHFFRZJUJKKBR-QMMMGPOBSA-N 0 3 269.353 -1.227 20 0 CAADHN C[NH+](C)CC(C)(C)CNC(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220254660 780326893 /nfs/dbraw/zinc/32/68/93/780326893.db2.gz TVHFFRZJUJKKBR-QMMMGPOBSA-N 0 3 269.353 -1.227 20 0 CAADHN CCCN1C[C@@H](NC(=O)C2(C(N)=O)CC2)[C@@H](O)C1 ZINC001220246390 780326960 /nfs/dbraw/zinc/32/69/60/780326960.db2.gz UNYOKLUKWPOJPX-BDAKNGLRSA-N 0 3 255.318 -1.177 20 0 CAADHN NC(=O)C1(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220257599 780327121 /nfs/dbraw/zinc/32/71/21/780327121.db2.gz GJVJDROLHRITKZ-AXFHLTTASA-N 0 3 297.355 -1.550 20 0 CAADHN O=C(N[C@@H]1CCc2n[nH]cc2C1)[C@H]1COC2(CNC2)CN1 ZINC001220261356 780328233 /nfs/dbraw/zinc/32/82/33/780328233.db2.gz XKJXKYAYDXJTQQ-ZYHUDNBSSA-N 0 3 291.355 -1.286 20 0 CAADHN CN(C)S(=O)(=O)CCNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220269131 780328540 /nfs/dbraw/zinc/32/85/40/780328540.db2.gz WCVNTCMGBHPLBA-QPFGOUBPSA-N 0 3 299.418 -1.910 20 0 CAADHN O=C(N[C@H]1CCc2n[nH]cc2C1)[C@@H]1COC2(CNC2)CN1 ZINC001220261353 780328445 /nfs/dbraw/zinc/32/84/45/780328445.db2.gz XKJXKYAYDXJTQQ-JQWIXIFHSA-N 0 3 291.355 -1.286 20 0 CAADHN COCCCN1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](O)C1 ZINC001220275147 780329285 /nfs/dbraw/zinc/32/92/85/780329285.db2.gz QCPASLALWUSVAI-KOLCDFICSA-N 0 3 298.343 -1.063 20 0 CAADHN Cn1cc(CCNC(=O)[C@@H]2COC3(CNC3)CN2)cn1 ZINC001220276341 780329768 /nfs/dbraw/zinc/32/97/68/780329768.db2.gz FPKBXCZEBOAMRS-NSHDSACASA-N 0 3 279.344 -1.591 20 0 CAADHN Cn1cc(CCNC(=O)[C@H]2COC3(CNC3)CN2)cn1 ZINC001220276340 780330342 /nfs/dbraw/zinc/33/03/42/780330342.db2.gz FPKBXCZEBOAMRS-LLVKDONJSA-N 0 3 279.344 -1.591 20 0 CAADHN NC[C@H](N)C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC001220286234 780330637 /nfs/dbraw/zinc/33/06/37/780330637.db2.gz DBCDSWDKEAYSSX-JTQLQIEISA-N 0 3 268.292 -1.042 20 0 CAADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCC(N)=O ZINC001220274596 780330737 /nfs/dbraw/zinc/33/07/37/780330737.db2.gz JUEPQPOOPLELHM-IUCAKERBSA-N 0 3 272.349 -1.144 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NCC1OCCO1 ZINC001220288604 780330759 /nfs/dbraw/zinc/33/07/59/780330759.db2.gz CFILTNJSWITRAW-HYORBCNSSA-N 0 3 250.320 -1.429 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N[C@H]2COC(=O)C2)C1=O ZINC001220296577 780331118 /nfs/dbraw/zinc/33/11/18/780331118.db2.gz SHSKGDZZVUQBOE-BDAKNGLRSA-N 0 3 269.301 -1.242 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCC1OCCO1 ZINC001220288739 780331386 /nfs/dbraw/zinc/33/13/86/780331386.db2.gz HNUBWDAUILOTEI-KWQFWETISA-N 0 3 273.333 -1.035 20 0 CAADHN CC(C)[C@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)N(C)C ZINC001220297045 780332120 /nfs/dbraw/zinc/33/21/20/780332120.db2.gz IRVARVSIIYDOOQ-JFGNBEQYSA-N 0 3 286.376 -1.781 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)Cc1c[nH]cn1 ZINC001220290785 780332170 /nfs/dbraw/zinc/33/21/70/780332170.db2.gz DSHIDSTXNUGFHX-MNOVXSKESA-N 0 3 295.343 -1.621 20 0 CAADHN NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001220290785 780332176 /nfs/dbraw/zinc/33/21/76/780332176.db2.gz DSHIDSTXNUGFHX-MNOVXSKESA-N 0 3 295.343 -1.621 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1COC(=O)C1 ZINC001220296839 780332436 /nfs/dbraw/zinc/33/24/36/780332436.db2.gz YSZMLVOYLXJFEK-RNFRBKRXSA-N 0 3 258.278 -1.806 20 0 CAADHN C[C@@H](NC(=O)[C@H]1COC2(CNC2)CN1)c1cnn(C)c1 ZINC001220308462 780333061 /nfs/dbraw/zinc/33/30/61/780333061.db2.gz LEMHOBODPRHOGE-MWLCHTKSSA-N 0 3 279.344 -1.072 20 0 CAADHN O=C(NCc1ncn2c1CNCCC2)[C@@H]1CNC(=O)N1 ZINC001220310768 780334256 /nfs/dbraw/zinc/33/42/56/780334256.db2.gz GHJYGBIRKYFLNZ-VIFPVBQESA-N 0 3 278.316 -1.326 20 0 CAADHN O=C(NC[C@@H]1CNC(=O)CO1)[C@@H]1COC2(CNC2)CN1 ZINC001220315533 780334591 /nfs/dbraw/zinc/33/45/91/780334591.db2.gz FAZJXEAZMPXZNV-IUCAKERBSA-N 0 3 284.316 -3.052 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC[C@H]2CNC(=O)CO2)C1=O ZINC001220315513 780334950 /nfs/dbraw/zinc/33/49/50/780334950.db2.gz DTSLIXSJYWLPFN-UWVGGRQHSA-N 0 3 298.343 -2.043 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC[C@@H]2CNC(=O)CO2)C1=O ZINC001220315514 780335334 /nfs/dbraw/zinc/33/53/34/780335334.db2.gz DTSLIXSJYWLPFN-ZJUUUORDSA-N 0 3 298.343 -2.043 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316454 780335382 /nfs/dbraw/zinc/33/53/82/780335382.db2.gz PLTQWQUSKUTPFC-BDAKNGLRSA-N 0 3 267.289 -2.089 20 0 CAADHN N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316454 780335389 /nfs/dbraw/zinc/33/53/89/780335389.db2.gz PLTQWQUSKUTPFC-BDAKNGLRSA-N 0 3 267.289 -2.089 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316457 780335572 /nfs/dbraw/zinc/33/55/72/780335572.db2.gz PLTQWQUSKUTPFC-RKDXNWHRSA-N 0 3 267.289 -2.089 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220316457 780335576 /nfs/dbraw/zinc/33/55/76/780335576.db2.gz PLTQWQUSKUTPFC-RKDXNWHRSA-N 0 3 267.289 -2.089 20 0 CAADHN N[C@H](C(=O)NC[C@H]1CNC(=O)CO1)C1CCC(O)CC1 ZINC001220315599 780335640 /nfs/dbraw/zinc/33/56/40/780335640.db2.gz FWSXQLNJBZSIEX-PTFDWCFRSA-N 0 3 285.344 -1.504 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220317516 780336794 /nfs/dbraw/zinc/33/67/94/780336794.db2.gz ZHWOQCJELWFVHU-UWVGGRQHSA-N 0 3 281.316 -2.079 20 0 CAADHN NC(=O)[C@@H](CO)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220328734 780337959 /nfs/dbraw/zinc/33/79/59/780337959.db2.gz CMINZDZOZMMJBD-RNFRBKRXSA-N 0 3 258.278 -3.721 20 0 CAADHN NC(=O)[C@@H](CO)NC(=O)[C@@H](N)C1Cc2ccccc2C1 ZINC001220328909 780338185 /nfs/dbraw/zinc/33/81/85/780338185.db2.gz FIOGACNRSMALDB-NEPJUHHUSA-N 0 3 277.324 -1.309 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCCC1COC1 ZINC001220340784 780339420 /nfs/dbraw/zinc/33/94/20/780339420.db2.gz OLQOCKJCJITQDG-SECBINFHSA-N 0 3 258.322 -1.085 20 0 CAADHN COc1ccc(CNC(=O)[C@@H]2COC3(CNC3)CN2)nn1 ZINC001220342921 780339500 /nfs/dbraw/zinc/33/95/00/780339500.db2.gz ARLNINYZRRFMLG-JTQLQIEISA-N 0 3 293.327 -1.568 20 0 CAADHN C[C@@H](NC(=O)[C@H]1COC2(CNC2)CN1)c1cnccn1 ZINC001220368622 780340672 /nfs/dbraw/zinc/34/06/72/780340672.db2.gz JEAXXGVTHJYGDT-MWLCHTKSSA-N 0 3 277.328 -1.016 20 0 CAADHN COC(=O)c1n[nH]cc1NC(=O)[C@H]1CNCCN1 ZINC001220373507 780341520 /nfs/dbraw/zinc/34/15/20/780341520.db2.gz PTSYHZAYOIJYDA-SSDOTTSWSA-N 0 3 253.262 -1.304 20 0 CAADHN COCCCN1C[C@@H](NC(=O)[C@]2(C)CCNC2=O)[C@@H](O)C1 ZINC001220345436 780341406 /nfs/dbraw/zinc/34/14/06/780341406.db2.gz WGAWZGDATJEOIS-UHIISALHSA-N 0 3 299.371 -1.290 20 0 CAADHN COC(=O)c1n[nH]cc1NC(=O)[C@@H]1CNCCN1 ZINC001220373508 780341888 /nfs/dbraw/zinc/34/18/88/780341888.db2.gz PTSYHZAYOIJYDA-ZETCQYMHSA-N 0 3 253.262 -1.304 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220381595 780342524 /nfs/dbraw/zinc/34/25/24/780342524.db2.gz LQROYOLCQLJCLJ-MNOVXSKESA-N 0 3 284.360 -2.236 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NCC1(O)CCC1 ZINC001220384066 780342665 /nfs/dbraw/zinc/34/26/65/780342665.db2.gz IMGBDEZEKDTOPG-MRVPVSSYSA-N 0 3 258.322 -1.207 20 0 CAADHN O=C(NCc1cc[nH]c1)[C@@H]1COC2(CNC2)CN1 ZINC001220386204 780342843 /nfs/dbraw/zinc/34/28/43/780342843.db2.gz KDJAKQXIFPOTTQ-JTQLQIEISA-N 0 3 250.302 -1.039 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@H]1COCCN1C ZINC001220381693 780342911 /nfs/dbraw/zinc/34/29/11/780342911.db2.gz MLJKZNONTQNCPZ-RYUDHWBXSA-N 0 3 281.360 -1.263 20 0 CAADHN COCCN1C[C@@H](NC(=O)CCc2cn[nH]n2)[C@@H](O)C1 ZINC001220389439 780342978 /nfs/dbraw/zinc/34/29/78/780342978.db2.gz JYBXPWMLYWBDRH-MNOVXSKESA-N 0 3 283.332 -1.455 20 0 CAADHN COCCN1C[C@@H](NC(=O)CCc2c[nH]nn2)[C@@H](O)C1 ZINC001220389439 780342985 /nfs/dbraw/zinc/34/29/85/780342985.db2.gz JYBXPWMLYWBDRH-MNOVXSKESA-N 0 3 283.332 -1.455 20 0 CAADHN CN1CCOC[C@@H]1CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220381598 780343055 /nfs/dbraw/zinc/34/30/55/780343055.db2.gz LQROYOLCQLJCLJ-WDEREUQCSA-N 0 3 284.360 -2.236 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)[C@@H](N)CC[S@](C)=O ZINC001220382028 780343285 /nfs/dbraw/zinc/34/32/85/780343285.db2.gz PZQBEAUBCJGBOT-JJQCHNSYSA-N 0 3 277.390 -1.471 20 0 CAADHN CC[C@@H](C(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O)N(C)C ZINC001220377561 780343638 /nfs/dbraw/zinc/34/36/38/780343638.db2.gz DBAVQMAOXRRJRJ-UTLUCORTSA-N 0 3 272.349 -2.027 20 0 CAADHN CN1CCOC[C@H]1CNC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001220382274 780343711 /nfs/dbraw/zinc/34/37/11/780343711.db2.gz UHNGLTXSLRGMMG-MNOVXSKESA-N 0 3 267.333 -1.274 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](NC(=O)[C@H]2COC3(CNC3)CN2)C1 ZINC001220406298 780346552 /nfs/dbraw/zinc/34/65/52/780346552.db2.gz OFSGBRHPGBXJHC-GMTAPVOTSA-N 0 3 297.355 -1.225 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001220406301 780346562 /nfs/dbraw/zinc/34/65/62/780346562.db2.gz OFSGBRHPGBXJHC-VWYCJHECSA-N 0 3 297.355 -1.225 20 0 CAADHN CCCN1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](O)C1 ZINC001220428226 780347972 /nfs/dbraw/zinc/34/79/72/780347972.db2.gz WJVAFDACMXFWKE-AEJSXWLSSA-N 0 3 293.389 -1.505 20 0 CAADHN COC(=O)[C@@H](N)CCC(=O)NC[C@H]1COCCN1 ZINC001220429477 780348476 /nfs/dbraw/zinc/34/84/76/780348476.db2.gz SCFCFBDWRWXVGH-IUCAKERBSA-N 0 3 259.306 -1.629 20 0 CAADHN CC(C)[C@H](NC(=O)[C@@H](N)CN)C(=O)N1CCOCC1 ZINC001220454499 780349186 /nfs/dbraw/zinc/34/91/86/780349186.db2.gz XSOOAOIATCEFGP-UWVGGRQHSA-N 0 3 272.349 -1.728 20 0 CAADHN O=C(CCO)CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220449216 780349760 /nfs/dbraw/zinc/34/97/60/780349760.db2.gz PEVQWTCNKFKSSO-SECBINFHSA-N 0 3 257.290 -2.616 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481254 780351696 /nfs/dbraw/zinc/35/16/96/780351696.db2.gz AVEXGGYXDMUALV-OPRDCNLKSA-N 0 3 254.290 -1.766 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220481254 780351700 /nfs/dbraw/zinc/35/17/00/780351700.db2.gz AVEXGGYXDMUALV-OPRDCNLKSA-N 0 3 254.290 -1.766 20 0 CAADHN N[C@H]1CCCCN(CC(=O)N2C[C@H](O)C[C@@H]2CO)C1=O ZINC001220481951 780353301 /nfs/dbraw/zinc/35/33/01/780353301.db2.gz WXHDFOZVLRQWPB-MXWKQRLJSA-N 0 3 285.344 -1.720 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1C[C@H](O)C[C@@H]1CO ZINC001220482017 780353600 /nfs/dbraw/zinc/35/36/00/780353600.db2.gz YLKZJRMQFOSFIS-IWSPIJDZSA-N 0 3 274.321 -2.284 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220492592 780354442 /nfs/dbraw/zinc/35/44/42/780354442.db2.gz NSLSIMSUOGICBI-VIFPVBQESA-N 0 3 253.306 -1.356 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220492835 780354775 /nfs/dbraw/zinc/35/47/75/780354775.db2.gz SYNMZYPPPNMQRO-IUCAKERBSA-N 0 3 254.290 -1.195 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220493115 780354965 /nfs/dbraw/zinc/35/49/65/780354965.db2.gz WNKFOYCEIAJZGA-IUCAKERBSA-N 0 3 254.290 -1.337 20 0 CAADHN Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220492834 780355311 /nfs/dbraw/zinc/35/53/11/780355311.db2.gz SYNMZYPPPNMQRO-BDAKNGLRSA-N 0 3 254.290 -1.195 20 0 CAADHN COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H](N)CN ZINC001220514953 780356243 /nfs/dbraw/zinc/35/62/43/780356243.db2.gz XJDROTDRKZTZKN-BYPYZUCNSA-N 0 3 255.234 -1.807 20 0 CAADHN CCOC(=O)C1=C(NC(=O)[C@@H]2CNC(=O)N2)CCNC1 ZINC001220521432 780358766 /nfs/dbraw/zinc/35/87/66/780358766.db2.gz GOXIFPCJADVELZ-VIFPVBQESA-N 0 3 282.300 -1.406 20 0 CAADHN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(CCO)C[C@@H]1O ZINC001220520023 780359767 /nfs/dbraw/zinc/35/97/67/780359767.db2.gz KPCAJKSCLMKOGX-WCQGTBRESA-N 0 3 282.344 -1.258 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NCCN1CC2(COC2)C1 ZINC001220571384 780362533 /nfs/dbraw/zinc/36/25/33/780362533.db2.gz QARGLGJNUMUYNF-LLVKDONJSA-N 0 3 279.344 -1.272 20 0 CAADHN O=C(NCCN1CC2(COC2)C1)[C@H]1COC2(CNC2)CN1 ZINC001220571364 780364051 /nfs/dbraw/zinc/36/40/51/780364051.db2.gz PMYXPJCUMXMQTB-LLVKDONJSA-N 0 3 296.371 -2.235 20 0 CAADHN O=C(C[C@H]1COCCN1)NCCN1CC2(COC2)C1 ZINC001220571236 780364433 /nfs/dbraw/zinc/36/44/33/780364433.db2.gz MKGZWVMSQGZLTN-NSHDSACASA-N 0 3 269.345 -1.187 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001220578914 780367517 /nfs/dbraw/zinc/36/75/17/780367517.db2.gz WNJDKMCMRNUHQM-ZJUUUORDSA-N 0 3 272.349 -2.025 20 0 CAADHN CCN(CC)CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001220578521 780367807 /nfs/dbraw/zinc/36/78/07/780367807.db2.gz FZGCQQASOIEVIE-WOPDTQHZSA-N 0 3 298.387 -1.622 20 0 CAADHN CC(=O)N1CC(NC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001220596998 780370757 /nfs/dbraw/zinc/37/07/57/780370757.db2.gz QQVTXRBRKCPNFQ-SECBINFHSA-N 0 3 271.321 -1.891 20 0 CAADHN CCCN1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001220609039 780372623 /nfs/dbraw/zinc/37/26/23/780372623.db2.gz AVPIFGQHYRBHQC-ZJUUUORDSA-N 0 3 268.321 -1.366 20 0 CAADHN CCCN1C[C@@H](NC(=O)COCc2nncn2C)[C@@H](O)C1 ZINC001220661423 780373406 /nfs/dbraw/zinc/37/34/06/780373406.db2.gz QLWKXUJUUPVSSB-MNOVXSKESA-N 0 3 297.359 -1.097 20 0 CAADHN CC(C)N1C[C@@H](NC(=O)COCc2ncnn2C)[C@@H](O)C1 ZINC001220653408 780373561 /nfs/dbraw/zinc/37/35/61/780373561.db2.gz HZPFZKLPEHSARN-MNOVXSKESA-N 0 3 297.359 -1.099 20 0 CAADHN CC(C)(C)NC(=O)CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220708833 780374621 /nfs/dbraw/zinc/37/46/21/780374621.db2.gz IUXPPMWZJNFJEG-SNVBAGLBSA-N 0 3 298.387 -1.262 20 0 CAADHN C[C@H](O)CCCN1C[C@@H](NC(=O)Cc2nc[nH]n2)[C@@H](O)C1 ZINC001220726027 780375400 /nfs/dbraw/zinc/37/54/00/780375400.db2.gz GRFZYRCWUPNPBT-AXFHLTTASA-N 0 3 297.359 -1.331 20 0 CAADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1cccnc1CN ZINC001220714405 780375884 /nfs/dbraw/zinc/37/58/84/780375884.db2.gz KJTGEGJTDASEDA-YUMQZZPRSA-N 0 3 281.316 -1.697 20 0 CAADHN C[C@@H]1COCCN1CCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220725771 780376910 /nfs/dbraw/zinc/37/69/10/780376910.db2.gz XXWMYDVVVRXUOT-VXGBXAGGSA-N 0 3 298.387 -1.846 20 0 CAADHN COCCCC[N@H+]1C[C@@H](NC(=O)Cc2nnc[n-]2)[C@@H](O)C1 ZINC001220726194 780377026 /nfs/dbraw/zinc/37/70/26/780377026.db2.gz MZHNSYMBZBDZDG-MNOVXSKESA-N 0 3 297.359 -1.065 20 0 CAADHN COCCCC[N@@H+]1C[C@@H](NC(=O)Cc2nnc[n-]2)[C@@H](O)C1 ZINC001220726194 780377032 /nfs/dbraw/zinc/37/70/32/780377032.db2.gz MZHNSYMBZBDZDG-MNOVXSKESA-N 0 3 297.359 -1.065 20 0 CAADHN CC(=O)NC[C@@H](C)CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220756963 780378234 /nfs/dbraw/zinc/37/82/34/780378234.db2.gz PACZVEZNIHQWKL-KOLCDFICSA-N 0 3 284.360 -1.795 20 0 CAADHN COC(=O)CC1(NC(=O)[C@@H](N)CN)CCOCC1 ZINC001220732487 780378642 /nfs/dbraw/zinc/37/86/42/780378642.db2.gz ZJSLDLRAEWFUOW-QMMMGPOBSA-N 0 3 259.306 -1.499 20 0 CAADHN COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H](C)N ZINC001220770153 780378723 /nfs/dbraw/zinc/37/87/23/780378723.db2.gz UURJBGZIVMYXAZ-VXNVDRBHSA-N 0 3 254.290 -1.032 20 0 CAADHN CC(=O)NC[C@H](C)CNC(=O)[C@@H](N)CC[S@@](C)=O ZINC001220756724 780378736 /nfs/dbraw/zinc/37/87/36/780378736.db2.gz INARMQCLSAEUNK-NIHYUSDNSA-N 0 3 277.390 -1.029 20 0 CAADHN COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H](N)CN ZINC001220768787 780379657 /nfs/dbraw/zinc/37/96/57/780379657.db2.gz BEVJZIINRLFTSW-IUCAKERBSA-N 0 3 269.305 -2.094 20 0 CAADHN NC1(C(=O)NCCCN2CCS(=O)(=O)CC2)CC1 ZINC001220757306 780379752 /nfs/dbraw/zinc/37/97/52/780379752.db2.gz ZSHSDZVBYUGLET-UHFFFAOYSA-N 0 3 275.374 -1.286 20 0 CAADHN COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H](N)CN ZINC001220768786 780380833 /nfs/dbraw/zinc/38/08/33/780380833.db2.gz BEVJZIINRLFTSW-DTWKUNHWSA-N 0 3 269.305 -2.094 20 0 CAADHN CC1(C)[C@H](O)C[C@H]1NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220766476 780381114 /nfs/dbraw/zinc/38/11/14/780381114.db2.gz SXDSGZXHSUIRGW-OPRDCNLKSA-N 0 3 269.345 -1.408 20 0 CAADHN CCOC(=O)C1=C(NC(=O)CCS(C)(=O)=O)CNC1 ZINC001220827508 780381845 /nfs/dbraw/zinc/38/18/45/780381845.db2.gz QDMVLQSMASPNOD-UHFFFAOYSA-N 0 3 290.341 -1.042 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1O ZINC001220822463 780382247 /nfs/dbraw/zinc/38/22/47/780382247.db2.gz ZMVXTJWGHAPYTA-AXFHLTTASA-N 0 3 286.376 -1.637 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(CC(=O)NC)C[C@@H]1O ZINC001220815749 780382291 /nfs/dbraw/zinc/38/22/91/780382291.db2.gz YEISQYYPPRAXGW-MNOVXSKESA-N 0 3 286.376 -1.765 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220817438 780382378 /nfs/dbraw/zinc/38/23/78/780382378.db2.gz WLYALNTUKRFCIW-UTUOFQBUSA-N 0 3 298.387 -1.622 20 0 CAADHN CCOC(=O)C1=C(NC(=O)C(=O)N(C)C)CNC1 ZINC001220826931 780382399 /nfs/dbraw/zinc/38/23/99/780382399.db2.gz CASDEHNLXZMZGR-UHFFFAOYSA-N 0 3 255.274 -1.389 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001220821636 780382675 /nfs/dbraw/zinc/38/26/75/780382675.db2.gz CSBIAXANEXPOES-NEPJUHHUSA-N 0 3 273.377 -1.128 20 0 CAADHN CCCN(C)CC(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001220817439 780383478 /nfs/dbraw/zinc/38/34/78/780383478.db2.gz WLYALNTUKRFCIW-WOPDTQHZSA-N 0 3 298.387 -1.622 20 0 CAADHN CCOC(=O)C1=C(NC(=O)[C@@H]2CCC(=O)CN2)CNC1 ZINC001220830225 780384069 /nfs/dbraw/zinc/38/40/69/780384069.db2.gz SEKZFKFBJRRGRH-JTQLQIEISA-N 0 3 281.312 -1.156 20 0 CAADHN CCOC(=O)C1=C(NC(=O)[C@H]2CCC(=O)CN2)CNC1 ZINC001220830226 780385133 /nfs/dbraw/zinc/38/51/33/780385133.db2.gz SEKZFKFBJRRGRH-SNVBAGLBSA-N 0 3 281.312 -1.156 20 0 CAADHN N[C@@H](C(=O)NCC(=O)CCC(=O)[O-])C1CC[NH2+]CC1 ZINC001220848658 780387037 /nfs/dbraw/zinc/38/70/37/780387037.db2.gz FDVLBECMOUWFAV-LLVKDONJSA-N 0 3 271.317 -1.137 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NCc1ccccc1C[NH3+] ZINC001220852933 780387359 /nfs/dbraw/zinc/38/73/59/780387359.db2.gz DHLZPZHLFVRPSA-JTQLQIEISA-N 0 3 275.316 -1.155 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NCc1ccccc1C[NH3+] ZINC001220852933 780387370 /nfs/dbraw/zinc/38/73/70/780387370.db2.gz DHLZPZHLFVRPSA-JTQLQIEISA-N 0 3 275.316 -1.155 20 0 CAADHN O=C(NCCO[C@H]1CCCCO1)[C@@H]1COC2(CNC2)CN1 ZINC001220862317 780388139 /nfs/dbraw/zinc/38/81/39/780388139.db2.gz XFWDPMDNFJBIPI-RYUDHWBXSA-N 0 3 299.371 -1.024 20 0 CAADHN CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H](N)CN ZINC001220960445 780400952 /nfs/dbraw/zinc/40/09/52/780400952.db2.gz OLHCMUOWJVDFPL-VGMNWLOBSA-N 0 3 259.306 -1.643 20 0 CAADHN CCOC(=O)C1(NC(=O)[C@@H](N)CC[S@](C)=O)CNC1 ZINC001220851085 780389096 /nfs/dbraw/zinc/38/90/96/780389096.db2.gz HCNRGRCYRMJIDE-RLBGWGEZSA-N 0 3 291.373 -1.896 20 0 CAADHN CCOC(=O)C1(NC(=O)[C@@H](N)Cc2cncn2C)CNC1 ZINC001220851194 780389126 /nfs/dbraw/zinc/38/91/26/780389126.db2.gz LWWHGYBLCPYGQF-JTQLQIEISA-N 0 3 295.343 -1.689 20 0 CAADHN CCC[C@@H](CCO)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220868836 780389415 /nfs/dbraw/zinc/38/94/15/780389415.db2.gz WIBMIHVVIIYYAL-WDEREUQCSA-N 0 3 271.361 -1.016 20 0 CAADHN NC[C@H](N)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220876922 780389929 /nfs/dbraw/zinc/38/99/29/780389929.db2.gz QRJXEDPTYJCEFA-QMMMGPOBSA-N 0 3 270.289 -2.670 20 0 CAADHN O=C(C[C@H]1COCCN1)NCCN1CCNCC1=O ZINC001220874939 780390332 /nfs/dbraw/zinc/39/03/32/780390332.db2.gz RKDMLMGZPCVUCF-JTQLQIEISA-N 0 3 270.333 -2.087 20 0 CAADHN N[C@@H](Cc1c[nH]cn1)C(=O)NCCN1CCNCC1=O ZINC001220872342 780390951 /nfs/dbraw/zinc/39/09/51/780390951.db2.gz VAHGWGWWTHPKEK-JTQLQIEISA-N 0 3 280.332 -2.173 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NCCN1CCNCC1=O ZINC001220872343 780391055 /nfs/dbraw/zinc/39/10/55/780391055.db2.gz VAHGWGWWTHPKEK-SNVBAGLBSA-N 0 3 280.332 -2.173 20 0 CAADHN O=C(NCCN1CCNCC1=O)[C@H]1COC2(CNC2)CN1 ZINC001220872104 780391656 /nfs/dbraw/zinc/39/16/56/780391656.db2.gz KHIRKGRJOPGLAQ-SNVBAGLBSA-N 0 3 297.359 -3.135 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220882624 780392301 /nfs/dbraw/zinc/39/23/01/780392301.db2.gz XMFGOLQTEYCLCZ-IVZWLZJFSA-N 0 3 283.328 -1.758 20 0 CAADHN COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@H](N)CCCNC(N)=O ZINC001220881542 780392850 /nfs/dbraw/zinc/39/28/50/780392850.db2.gz MIHRHFYCQJXDQG-HRDYMLBCSA-N 0 3 286.332 -1.313 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H](N)CCCNC(N)=O ZINC001220881541 780393232 /nfs/dbraw/zinc/39/32/32/780393232.db2.gz MIHRHFYCQJXDQG-DJLDLDEBSA-N 0 3 286.332 -1.313 20 0 CAADHN COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220882622 780393319 /nfs/dbraw/zinc/39/33/19/780393319.db2.gz XMFGOLQTEYCLCZ-AEJSXWLSSA-N 0 3 283.328 -1.758 20 0 CAADHN CCC(=O)N1CC[C@H](NC(=O)[C@H](N)CCCNC(N)=O)C1 ZINC001220907556 780395023 /nfs/dbraw/zinc/39/50/23/780395023.db2.gz XBOLXAUQWNHXPP-VHSXEESVSA-N 0 3 299.375 -1.111 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937698 780396167 /nfs/dbraw/zinc/39/61/67/780396167.db2.gz XUPFLSYCHKOYQK-YUMQZZPRSA-N 0 3 269.309 -2.436 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937698 780396174 /nfs/dbraw/zinc/39/61/74/780396174.db2.gz XUPFLSYCHKOYQK-YUMQZZPRSA-N 0 3 269.309 -2.436 20 0 CAADHN CS(=O)(=O)N1CCC(CNC(=O)[C@@H](N)CN)CC1 ZINC001220923227 780396813 /nfs/dbraw/zinc/39/68/13/780396813.db2.gz CAKDJWAMRXGWLM-VIFPVBQESA-N 0 3 278.378 -1.940 20 0 CAADHN COCCCN1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220935620 780396962 /nfs/dbraw/zinc/39/69/62/780396962.db2.gz NOHONXRUWVTEPX-ZJUUUORDSA-N 0 3 288.348 -1.757 20 0 CAADHN COCCCN1C[C@@H](NC(=O)Cn2cncn2)[C@@H](O)C1 ZINC001220921250 780397240 /nfs/dbraw/zinc/39/72/40/780397240.db2.gz BLAHPQBIMKGHSX-MNOVXSKESA-N 0 3 283.332 -1.524 20 0 CAADHN C[C@@H](F)CCN1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220938212 780397779 /nfs/dbraw/zinc/39/77/79/780397779.db2.gz QLGKGGNXOOHSER-BBBLOLIVSA-N 0 3 290.339 -1.046 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937697 780398414 /nfs/dbraw/zinc/39/84/14/780398414.db2.gz XUPFLSYCHKOYQK-SFYZADRCSA-N 0 3 269.309 -2.436 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937697 780398425 /nfs/dbraw/zinc/39/84/25/780398425.db2.gz XUPFLSYCHKOYQK-SFYZADRCSA-N 0 3 269.309 -2.436 20 0 CAADHN N=c1ncc(C[NH3+])cn1C(=O)[C@@H](N)Cc1nn[n-]n1 ZINC001220951342 780398754 /nfs/dbraw/zinc/39/87/54/780398754.db2.gz YFUXULBVFOJUGI-LURJTMIESA-N 0 3 263.265 -2.455 20 0 CAADHN C[C@H](F)CCN1C[C@@H](NC(=O)CCNC(N)=O)[C@@H](O)C1 ZINC001220938210 780399129 /nfs/dbraw/zinc/39/91/29/780399129.db2.gz QLGKGGNXOOHSER-AEJSXWLSSA-N 0 3 290.339 -1.046 20 0 CAADHN NC[C@H](N)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 ZINC001221004069 780400999 /nfs/dbraw/zinc/40/09/99/780400999.db2.gz KUBJYONEFZJIIB-BJDJZHNGSA-N 0 3 298.387 -1.005 20 0 CAADHN O=C(NCCc1nncs1)[C@@H]1COC2(CNC2)CN1 ZINC001221014058 780401974 /nfs/dbraw/zinc/40/19/74/780401974.db2.gz ZBUIZRDZCIVBCD-QMMMGPOBSA-N 0 3 283.357 -1.473 20 0 CAADHN COC[C@H](NC(=O)[C@@H]1COC2(CNC2)CN1)C1CC1 ZINC001221012908 780402072 /nfs/dbraw/zinc/40/20/72/780402072.db2.gz DXXNVUIRFDLHCU-QWRGUYRKSA-N 0 3 269.345 -1.142 20 0 CAADHN COC[C@@H](NC(=O)[C@@H]1COC2(CNC2)CN1)C1CC1 ZINC001221012907 780402091 /nfs/dbraw/zinc/40/20/91/780402091.db2.gz DXXNVUIRFDLHCU-MNOVXSKESA-N 0 3 269.345 -1.142 20 0 CAADHN O=C(NCCc1nncs1)[C@H]1COC2(CNC2)CN1 ZINC001221014057 780402162 /nfs/dbraw/zinc/40/21/62/780402162.db2.gz ZBUIZRDZCIVBCD-MRVPVSSYSA-N 0 3 283.357 -1.473 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC12CCC2 ZINC001221015890 780402210 /nfs/dbraw/zinc/40/22/10/780402210.db2.gz QOYPUFZSENDHHW-CIUDSAMLSA-N 0 3 282.344 -1.247 20 0 CAADHN COC(=O)CC[C@H](NC(=O)[C@@H]1CNCCN1)C(N)=O ZINC001221019603 780403194 /nfs/dbraw/zinc/40/31/94/780403194.db2.gz ZREMURNMRFYHEF-YUMQZZPRSA-N 0 3 272.305 -2.529 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CC(N)=O)C[C@@H]1O ZINC001221093293 780404546 /nfs/dbraw/zinc/40/45/46/780404546.db2.gz HSGGJHKNVNALAL-ZJUUUORDSA-N 0 3 272.349 -2.027 20 0 CAADHN CC(C)N(C)CC(=O)N[C@@H]1CN(CCCO)C[C@@H]1O ZINC001221091259 780404577 /nfs/dbraw/zinc/40/45/77/780404577.db2.gz HWANIJFEHSNSFV-NEPJUHHUSA-N 0 3 273.377 -1.130 20 0 CAADHN COC(=O)[C@](C)(NC(=O)[C@@H](N)CN)C(F)(F)F ZINC001221218582 780406813 /nfs/dbraw/zinc/40/68/13/780406813.db2.gz AMODBNAPSXQXKL-FFWSUHOLSA-N 0 3 257.212 -1.117 20 0 CAADHN CCCC[C@H](NC(=O)[C@H]1COC2(CNC2)CN1)C(N)=O ZINC001221234362 780407341 /nfs/dbraw/zinc/40/73/41/780407341.db2.gz FQGLINIFHOZPTI-VHSXEESVSA-N 0 3 284.360 -1.523 20 0 CAADHN O=C(NC1CN(C2COC2)C1)[C@H]1COC2(CNC2)CN1 ZINC001221246103 780408535 /nfs/dbraw/zinc/40/85/35/780408535.db2.gz PJPCWIVGEQUBKT-LLVKDONJSA-N 0 3 282.344 -2.484 20 0 CAADHN COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H](N)CN ZINC001221256605 780408921 /nfs/dbraw/zinc/40/89/21/780408921.db2.gz DTSCMFFGBXFBGY-UWVGGRQHSA-N 0 3 283.332 -1.704 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC1CN(C2COC2)C1 ZINC001221245889 780408966 /nfs/dbraw/zinc/40/89/66/780408966.db2.gz HGUSXXFQUBLVIV-ZANVPECISA-N 0 3 298.387 -1.325 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NC1CN(C2COC2)C1 ZINC001221245908 780409010 /nfs/dbraw/zinc/40/90/10/780409010.db2.gz IEWRNIQPALNTBV-LLVKDONJSA-N 0 3 265.317 -1.521 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC1CN(C2COC2)C1 ZINC001221245908 780409014 /nfs/dbraw/zinc/40/90/14/780409014.db2.gz IEWRNIQPALNTBV-LLVKDONJSA-N 0 3 265.317 -1.521 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001221266326 780411947 /nfs/dbraw/zinc/41/19/47/780411947.db2.gz VFXWNOMJDDFKMB-NAKRPEOUSA-N 0 3 294.363 -3.191 20 0 CAADHN C[C@H](N)C(=O)N1[C@H](C(=O)NC2=CCOC2=O)COC1(C)C ZINC001221328503 780414191 /nfs/dbraw/zinc/41/41/91/780414191.db2.gz LSHNFYBRZFARAG-CBAPKCEASA-N 0 3 297.311 -1.146 20 0 CAADHN Cc1cnc(NC(=O)[C@H]2COC3(CNC3)CN2)c(=O)[nH]1 ZINC001221327607 780414212 /nfs/dbraw/zinc/41/42/12/780414212.db2.gz BOJFGGQHGKSLSM-MRVPVSSYSA-N 0 3 279.300 -1.653 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)NC1=CC(=O)NCC1 ZINC001221317135 780414325 /nfs/dbraw/zinc/41/43/25/780414325.db2.gz WSZHFVQWANNUCE-WNWIJWBNSA-N 0 3 259.331 -1.398 20 0 CAADHN O=C(N[C@H]1CCC[C@H]1CO)[C@@H]1COC2(CNC2)CN1 ZINC001221309633 780414635 /nfs/dbraw/zinc/41/46/35/780414635.db2.gz TZOOIGQEAYGOBB-DCAQKATOSA-N 0 3 269.345 -1.406 20 0 CAADHN Nc1cn(C(=O)[C@H]2COC3(CNC3)CN2)c(N)nc1=O ZINC001221328802 780414693 /nfs/dbraw/zinc/41/46/93/780414693.db2.gz FUEXTIKKDODVOH-SSDOTTSWSA-N 0 3 280.288 -2.379 20 0 CAADHN O=C(N[C@H]1CCC[C@H]1CO)[C@H]1COC2(CNC2)CN1 ZINC001221309634 780414884 /nfs/dbraw/zinc/41/48/84/780414884.db2.gz TZOOIGQEAYGOBB-GARJFASQSA-N 0 3 269.345 -1.406 20 0 CAADHN Cc1cnc(NC(=O)[C@@H]2COC3(CNC3)CN2)c(=O)[nH]1 ZINC001221327608 780414963 /nfs/dbraw/zinc/41/49/63/780414963.db2.gz BOJFGGQHGKSLSM-QMMMGPOBSA-N 0 3 279.300 -1.653 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC1=CCOC1=O ZINC001221332146 780416097 /nfs/dbraw/zinc/41/60/97/780416097.db2.gz NYCSPGSRKLUIBZ-ZCFIWIBFSA-N 0 3 256.262 -1.681 20 0 CAADHN N[C@H]1CCCCN(CC(=O)NC[C@H](O)CF)C1=O ZINC001221337803 780416272 /nfs/dbraw/zinc/41/62/72/780416272.db2.gz MPNCCJUHBCNMSK-BDAKNGLRSA-N 0 3 261.297 -1.227 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)NC[C@H](O)CF ZINC001221336202 780416496 /nfs/dbraw/zinc/41/64/96/780416496.db2.gz DAPYGAJRKLOSMT-RNFRBKRXSA-N 0 3 250.274 -1.791 20 0 CAADHN CC1(C)C(=O)NC[C@H]1NC(=O)[C@H](N)CCCNC(N)=O ZINC001221367708 780416974 /nfs/dbraw/zinc/41/69/74/780416974.db2.gz AMESHNKXSFPERB-HTQZYQBOSA-N 0 3 285.348 -1.597 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367140 780417099 /nfs/dbraw/zinc/41/70/99/780417099.db2.gz YCPWJEWODJZDOJ-DSYKOEDSSA-N 0 3 257.273 -2.114 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1F ZINC001221367140 780417105 /nfs/dbraw/zinc/41/71/05/780417105.db2.gz YCPWJEWODJZDOJ-DSYKOEDSSA-N 0 3 257.273 -2.114 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221369304 780417348 /nfs/dbraw/zinc/41/73/48/780417348.db2.gz LYEHXJIXMHLZJI-BDAKNGLRSA-N 0 3 267.289 -1.486 20 0 CAADHN COC(=O)c1ccc([C@H](CO)NC(=O)[C@@H](N)CN)cc1 ZINC001221367154 780417488 /nfs/dbraw/zinc/41/74/88/780417488.db2.gz YSXCIDQBHXVQTN-QWRGUYRKSA-N 0 3 281.312 -1.091 20 0 CAADHN C[S@](=O)CC[C@H](N)C(=O)N[C@H]1CNC(=O)C1(C)C ZINC001221367760 780417585 /nfs/dbraw/zinc/41/75/85/780417585.db2.gz CEFFKQSQHHPOML-KEJSXXJDSA-N 0 3 275.374 -1.277 20 0 CAADHN C[S@@](=O)CC[C@H](N)C(=O)N[C@@H]1CNC(=O)C1(C)C ZINC001221367762 780417720 /nfs/dbraw/zinc/41/77/20/780417720.db2.gz CEFFKQSQHHPOML-PTJHWVCESA-N 0 3 275.374 -1.277 20 0 CAADHN CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001221370528 780419119 /nfs/dbraw/zinc/41/91/19/780419119.db2.gz SDCUFBHVANCPQA-IUCAKERBSA-N 0 3 265.317 -1.080 20 0 CAADHN CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001221370528 780419124 /nfs/dbraw/zinc/41/91/24/780419124.db2.gz SDCUFBHVANCPQA-IUCAKERBSA-N 0 3 265.317 -1.080 20 0 CAADHN CC1(C)C(=O)NC[C@@H]1NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001221370408 780419153 /nfs/dbraw/zinc/41/91/53/780419153.db2.gz QPUGQBYJPFFEPZ-IUCAKERBSA-N 0 3 282.344 -2.042 20 0 CAADHN N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370824 780419359 /nfs/dbraw/zinc/41/93/59/780419359.db2.gz UNXALBMNJYVUDM-HTQZYQBOSA-N 0 3 253.262 -1.496 20 0 CAADHN N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CNC(=O)O1 ZINC001221370824 780419361 /nfs/dbraw/zinc/41/93/61/780419361.db2.gz UNXALBMNJYVUDM-HTQZYQBOSA-N 0 3 253.262 -1.496 20 0 CAADHN CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001221370527 780419401 /nfs/dbraw/zinc/41/94/01/780419401.db2.gz SDCUFBHVANCPQA-DTWKUNHWSA-N 0 3 265.317 -1.080 20 0 CAADHN CC1(C)C(=O)NC[C@H]1NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001221370527 780419404 /nfs/dbraw/zinc/41/94/04/780419404.db2.gz SDCUFBHVANCPQA-DTWKUNHWSA-N 0 3 265.317 -1.080 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2CNC(=O)N2)CC1 ZINC001221403477 780419906 /nfs/dbraw/zinc/41/99/06/780419906.db2.gz TVNPVRSVJCZMOT-QMMMGPOBSA-N 0 3 256.306 -1.759 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2COCCN2)CC1 ZINC001221403042 780420154 /nfs/dbraw/zinc/42/01/54/780420154.db2.gz OZNHBYRPSGLFQN-JTQLQIEISA-N 0 3 257.334 -1.452 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)c1ccno1 ZINC001221397625 780420251 /nfs/dbraw/zinc/42/02/51/780420251.db2.gz PJVCMUNFQOPZQZ-FXQIFTODSA-N 0 3 297.315 -1.441 20 0 CAADHN N[C@@H](Cc1nnn[n-]1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408602 780420340 /nfs/dbraw/zinc/42/03/40/780420340.db2.gz JHVAAJSCEFBKPG-ONGXEEELSA-N 0 3 279.348 -1.426 20 0 CAADHN N[C@@H](Cc1nn[n-]n1)C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221408602 780420345 /nfs/dbraw/zinc/42/03/45/780420345.db2.gz JHVAAJSCEFBKPG-ONGXEEELSA-N 0 3 279.348 -1.426 20 0 CAADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1C[C@@H]1C1CC1 ZINC001221406602 780420771 /nfs/dbraw/zinc/42/07/71/780420771.db2.gz HJNPLMGFDLFOGV-ZQNVIIHSSA-N 0 3 282.344 -1.392 20 0 CAADHN CNC(=O)CC(=O)N1C[C@H]2CCN(C[C@H](O)COC)C[C@H]21 ZINC001221506374 780421793 /nfs/dbraw/zinc/42/17/93/780421793.db2.gz ZNTZSBQZEMKBLE-GRYCIOLGSA-N 0 3 299.371 -1.338 20 0 CAADHN C[C@@H](CC(=O)N1C[C@H]2CCN(CCO)C[C@H]21)NC(N)=O ZINC001221549374 780421979 /nfs/dbraw/zinc/42/19/79/780421979.db2.gz SJQKBKXGVIPZMI-HBNTYKKESA-N 0 3 284.360 -1.042 20 0 CAADHN C[C@H](CC(=O)N1C[C@H]2CCN(CCO)C[C@H]21)NC(N)=O ZINC001221549373 780422253 /nfs/dbraw/zinc/42/22/53/780422253.db2.gz SJQKBKXGVIPZMI-GMTAPVOTSA-N 0 3 284.360 -1.042 20 0 CAADHN CCN1CC[C@@H]2CN(C(=O)CNS(=O)(=O)NC)[C@@H]2C1 ZINC001221713832 780423506 /nfs/dbraw/zinc/42/35/06/780423506.db2.gz ASGKSDJSQMIPGY-NXEZZACHSA-N 0 3 290.389 -1.407 20 0 CAADHN C[C@H](O)CN1CC[C@@H]2CN(C(=O)CCNC(N)=O)[C@@H]2C1 ZINC001222003704 780424796 /nfs/dbraw/zinc/42/47/96/780424796.db2.gz DPLXCYBGPUTKFS-HBNTYKKESA-N 0 3 284.360 -1.042 20 0 CAADHN NC(=O)CCCC(=O)N1CCC[C@H](NCC(N)=O)C1 ZINC001222111766 780425133 /nfs/dbraw/zinc/42/51/33/780425133.db2.gz URSQESULIRUUCW-VIFPVBQESA-N 0 3 270.333 -1.292 20 0 CAADHN Cc1nc(CC(=O)NCC2CCN(CC(N)=O)CC2)n[nH]1 ZINC001223133992 780428438 /nfs/dbraw/zinc/42/84/38/780428438.db2.gz DZVSKWMRTHHCEB-UHFFFAOYSA-N 0 3 294.359 -1.031 20 0 CAADHN CN1CCC[C@H](N2CCC(CNC(=O)C(N)=O)CC2)C1=O ZINC001224293305 780431943 /nfs/dbraw/zinc/43/19/43/780431943.db2.gz ISQJBLSQLGUMRG-NSHDSACASA-N 0 3 296.371 -1.079 20 0 CAADHN NC(=O)C(=O)NCC1CCN([C@H]2CCCNC2=O)CC1 ZINC001224294368 780432127 /nfs/dbraw/zinc/43/21/27/780432127.db2.gz ORYQDHNAKACSCV-JTQLQIEISA-N 0 3 282.344 -1.422 20 0 CAADHN COCC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NC(N)=O ZINC001224404567 780433597 /nfs/dbraw/zinc/43/35/97/780433597.db2.gz YPEZJBYJTOCDOH-RKDXNWHRSA-N 0 3 286.332 -1.155 20 0 CAADHN CN1CC[C@H](N2CCC(CNC(=O)C(N)=O)CC2)C1=O ZINC001224312710 780434096 /nfs/dbraw/zinc/43/40/96/780434096.db2.gz SAUZPBYDSUXXND-JTQLQIEISA-N 0 3 282.344 -1.469 20 0 CAADHN CCN1CC[C@@H](N2CCC(CNC(=O)C(N)=O)CC2)C1=O ZINC001224304523 780434145 /nfs/dbraw/zinc/43/41/45/780434145.db2.gz XXVLMFNCJIGRQL-LLVKDONJSA-N 0 3 296.371 -1.079 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)Cn1cnnn1 ZINC001224705564 780435647 /nfs/dbraw/zinc/43/56/47/780435647.db2.gz IJKHSSCKKMCYDZ-NXEZZACHSA-N 0 3 295.347 -1.564 20 0 CAADHN NC(=O)CN1CCC(CNC(=O)Cc2nnc[nH]2)CC1 ZINC001225136018 780436084 /nfs/dbraw/zinc/43/60/84/780436084.db2.gz RIAFJVIMVCOLQT-UHFFFAOYSA-N 0 3 280.332 -1.339 20 0 CAADHN NC(=O)CC(=O)NCC1(N[C@@H]2CCCNC2=O)CC1 ZINC001277019979 780436514 /nfs/dbraw/zinc/43/65/14/780436514.db2.gz JJQMHPWUPKPMLF-MRVPVSSYSA-N 0 3 268.317 -1.621 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001224923874 780436706 /nfs/dbraw/zinc/43/67/06/780436706.db2.gz WMKJDVUDNOGKLG-GHMZBOCLSA-N 0 3 284.360 -1.033 20 0 CAADHN CC(=O)NCC(=O)NC1CCN(CCOCCO)CC1 ZINC001225823818 780438848 /nfs/dbraw/zinc/43/88/48/780438848.db2.gz NSYNXWBEVXWIRA-UHFFFAOYSA-N 0 3 287.360 -1.288 20 0 CAADHN C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O)NC(N)=O ZINC001226214036 780442172 /nfs/dbraw/zinc/44/21/72/780442172.db2.gz JDYAKRAZKCXIEV-OPRDCNLKSA-N 0 3 299.375 -1.064 20 0 CAADHN O=C(NC1CCN(CCOCCO)CC1)[C@H]1CCC(=O)N1 ZINC001226541854 780443809 /nfs/dbraw/zinc/44/38/09/780443809.db2.gz DTQXMQDLJMTURO-GFCCVEGCSA-N 0 3 299.371 -1.146 20 0 CAADHN O=C(NCC1(N[C@@H]2CCCNC2=O)CC1)[C@H]1CCNC1=O ZINC001277133223 780444113 /nfs/dbraw/zinc/44/41/13/780444113.db2.gz VUUJQRHJFAOIQZ-VHSXEESVSA-N 0 3 294.355 -1.361 20 0 CAADHN CNC(=O)CC(=O)NC1CCN(CCn2cncn2)CC1 ZINC001227041239 780446897 /nfs/dbraw/zinc/44/68/97/780446897.db2.gz ONKNSNNMGJVHSO-UHFFFAOYSA-N 0 3 294.359 -1.005 20 0 CAADHN CNC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCNC1=O ZINC001227934454 780449127 /nfs/dbraw/zinc/44/91/27/780449127.db2.gz XLIHHSUCYJDGLB-HBNTYKKESA-N 0 3 296.371 -1.115 20 0 CAADHN Cn1cnn(CCC(=O)NC2CCN(CCO)CC2)c1=O ZINC001228448296 780450647 /nfs/dbraw/zinc/45/06/47/780450647.db2.gz CSTJDJNMUPZJJX-UHFFFAOYSA-N 0 3 297.359 -1.455 20 0 CAADHN CNS(=O)(=O)NCC(=O)NC1CCN(CCO)CC1 ZINC001228456650 780451032 /nfs/dbraw/zinc/45/10/32/780451032.db2.gz CUXVLMGYYVTTNB-UHFFFAOYSA-N 0 3 294.377 -2.387 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228277028 780451137 /nfs/dbraw/zinc/45/11/37/780451137.db2.gz AUEBABGWTAEFHE-RNFRBKRXSA-N 0 3 285.304 -2.316 20 0 CAADHN O=C(NC1CCN(CCOCCO)CC1)[C@H]1CCNC1=O ZINC001228588239 780451901 /nfs/dbraw/zinc/45/19/01/780451901.db2.gz BYIZVONPSCVCBP-LBPRGKRZSA-N 0 3 299.371 -1.288 20 0 CAADHN COC[C@H](O)CN1CCC(NC(=O)c2nnn(C)n2)CC1 ZINC001228670869 780452075 /nfs/dbraw/zinc/45/20/75/780452075.db2.gz WIHLJBAPMRSWDK-SNVBAGLBSA-N 0 3 298.347 -1.588 20 0 CAADHN COC[C@@H](O)CN1CCC(NC(=O)c2nnn(C)n2)CC1 ZINC001228670863 780452156 /nfs/dbraw/zinc/45/21/56/780452156.db2.gz WIHLJBAPMRSWDK-JTQLQIEISA-N 0 3 298.347 -1.588 20 0 CAADHN CN(C)C(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCC(N)=O ZINC001228998468 780453279 /nfs/dbraw/zinc/45/32/79/780453279.db2.gz FQGQXDBJZOEHEK-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN NC(=O)C(=O)NC1CCN(CCOCCO)CC1 ZINC001228904747 780453411 /nfs/dbraw/zinc/45/34/11/780453411.db2.gz VWMDBWIGFRKCLN-UHFFFAOYSA-N 0 3 259.306 -1.939 20 0 CAADHN C[C@H](NS(C)(=O)=O)C(=O)NC1CCN(CCO)CC1 ZINC001229363634 780454186 /nfs/dbraw/zinc/45/41/86/780454186.db2.gz PSBUARJRNMHIBZ-VIFPVBQESA-N 0 3 293.389 -1.503 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)NC1CCN(CCO)CC1 ZINC001229363630 780454269 /nfs/dbraw/zinc/45/42/69/780454269.db2.gz PSBUARJRNMHIBZ-SECBINFHSA-N 0 3 293.389 -1.503 20 0 CAADHN CC[C@@H](C(=O)N(C)C1CN(CC(N)=O)C1)N(C)C ZINC001277660454 780472176 /nfs/dbraw/zinc/47/21/76/780472176.db2.gz TVFYZSGFSTUWPG-JTQLQIEISA-N 0 3 256.350 -1.046 20 0 CAADHN O=C(CC[C@H]1NC(=O)NC1=O)NC1CCN(CCO)CC1 ZINC001230226182 780457112 /nfs/dbraw/zinc/45/71/12/780457112.db2.gz AAPTWWSSNWWZFT-SNVBAGLBSA-N 0 3 298.343 -1.453 20 0 CAADHN CC(=O)NCC(=O)NCCCN(C)[C@@H]1CCCNC1=O ZINC001231269127 780464624 /nfs/dbraw/zinc/46/46/24/780464624.db2.gz NYDFGQZOMOLNQY-LLVKDONJSA-N 0 3 284.360 -1.161 20 0 CAADHN CC(=O)NCC(=O)NCCCN(C)[C@@H]1CCC(=O)NC1=O ZINC001231278378 780465480 /nfs/dbraw/zinc/46/54/80/780465480.db2.gz JEMZTPSBKJFOHJ-SNVBAGLBSA-N 0 3 298.343 -1.634 20 0 CAADHN CC(=O)NCC(=O)NCCCN(C)[C@H]1CCC(=O)NC1=O ZINC001231278377 780466519 /nfs/dbraw/zinc/46/65/19/780466519.db2.gz JEMZTPSBKJFOHJ-JTQLQIEISA-N 0 3 298.343 -1.634 20 0 CAADHN Cn1cc(CN2CCc3nncn3CC2)c(=O)n(C)c1=O ZINC001231769453 780468488 /nfs/dbraw/zinc/46/84/88/780468488.db2.gz ISGOGQYGSMUVKN-UHFFFAOYSA-N 0 3 290.327 -1.266 20 0 CAADHN CN1CC2(C1)CN(Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001231771253 780468510 /nfs/dbraw/zinc/46/85/10/780468510.db2.gz JRUDQXPRTSIPKF-UHFFFAOYSA-N 0 3 264.329 -1.169 20 0 CAADHN Cn1cc(CN2CCC(NC(N)=O)CC2)c(=O)n(C)c1=O ZINC001231767131 780468598 /nfs/dbraw/zinc/46/85/98/780468598.db2.gz OMPPTZDATHJZSS-UHFFFAOYSA-N 0 3 295.343 -1.283 20 0 CAADHN Cn1cc(CN2CCN3CC[C@@H]3C2)c(=O)n(C)c1=O ZINC001231771523 780468613 /nfs/dbraw/zinc/46/86/13/780468613.db2.gz WMFPRWDAKPTSDG-LLVKDONJSA-N 0 3 264.329 -1.026 20 0 CAADHN Cn1cc(CN2CC[C@H](O)[C@@](C)(CO)C2)c(=O)n(C)c1=O ZINC001231766639 780468766 /nfs/dbraw/zinc/46/87/66/780468766.db2.gz CCYXXXLVQOPLMN-SMDDNHRTSA-N 0 3 297.355 -1.351 20 0 CAADHN CC(=O)N[C@H]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001231771608 780468834 /nfs/dbraw/zinc/46/88/34/780468834.db2.gz AKPRORXDVPSJOZ-NSHDSACASA-N 0 3 280.328 -1.206 20 0 CAADHN Cn1cc(CN2CC[C@@H](F)[C@H](O)C2)c(=O)n(C)c1=O ZINC001231766748 780468990 /nfs/dbraw/zinc/46/89/90/780468990.db2.gz FWKSVUNIKRFSPG-NXEZZACHSA-N 0 3 271.292 -1.011 20 0 CAADHN Cn1cc(CN2CCOC[C@@](C)(O)C2)c(=O)n(C)c1=O ZINC001231767226 780469028 /nfs/dbraw/zinc/46/90/28/780469028.db2.gz RSVVXKDHOCVWLY-ZDUSSCGKSA-N 0 3 283.328 -1.333 20 0 CAADHN Cn1cc(CN2CC[C@@H](CO)[C@H](O)C2)c(=O)n(C)c1=O ZINC001231766701 780469048 /nfs/dbraw/zinc/46/90/48/780469048.db2.gz FBOWGUJYOWMUFU-GXSJLCMTSA-N 0 3 283.328 -1.741 20 0 CAADHN Cn1cc(CN2CC[C@@H](CO)[C@@H](O)C2)c(=O)n(C)c1=O ZINC001231766705 780469092 /nfs/dbraw/zinc/46/90/92/780469092.db2.gz FBOWGUJYOWMUFU-ONGXEEELSA-N 0 3 283.328 -1.741 20 0 CAADHN Cn1cc(CN2CC[C@@](C)(CO)[C@H](O)C2)c(=O)n(C)c1=O ZINC001231767720 780469277 /nfs/dbraw/zinc/46/92/77/780469277.db2.gz YKDJHHSLVFLOBT-RISCZKNCSA-N 0 3 297.355 -1.351 20 0 CAADHN Cn1cc(CN2CC[C@@H](O)[C@@](C)(CO)C2)c(=O)n(C)c1=O ZINC001231766633 780469306 /nfs/dbraw/zinc/46/93/06/780469306.db2.gz CCYXXXLVQOPLMN-BXUZGUMPSA-N 0 3 297.355 -1.351 20 0 CAADHN CC(=O)N[C@@H]1CCN(Cc2cn(C)c(=O)n(C)c2=O)C1 ZINC001231771606 780469393 /nfs/dbraw/zinc/46/93/93/780469393.db2.gz AKPRORXDVPSJOZ-LLVKDONJSA-N 0 3 280.328 -1.206 20 0 CAADHN Cn1cc(CN2C[C@@H](O)[C@H](CO)C2)c(=O)n(C)c1=O ZINC001231767206 780469442 /nfs/dbraw/zinc/46/94/42/780469442.db2.gz QEXBACCLHYAVKY-VHSXEESVSA-N 0 3 269.301 -2.131 20 0 CAADHN Cn1cc(CN2C[C@H](CO)[C@H](O)C2)c(=O)n(C)c1=O ZINC001231767204 780469455 /nfs/dbraw/zinc/46/94/55/780469455.db2.gz QEXBACCLHYAVKY-NXEZZACHSA-N 0 3 269.301 -2.131 20 0 CAADHN Cn1cc(CN2CC[C@H](O)[C@H](CO)C2)c(=O)n(C)c1=O ZINC001231767643 780469492 /nfs/dbraw/zinc/46/94/92/780469492.db2.gz XNARFCDCRRBLRT-QWRGUYRKSA-N 0 3 283.328 -1.741 20 0 CAADHN Cn1cc(CN2CC[C@@](C)(CO)[C@@H](O)C2)c(=O)n(C)c1=O ZINC001231767693 780469543 /nfs/dbraw/zinc/46/95/43/780469543.db2.gz YKDJHHSLVFLOBT-FZMZJTMJSA-N 0 3 297.355 -1.351 20 0 CAADHN Cn1cc(CN2CC[C@H](F)[C@@H](O)C2)c(=O)n(C)c1=O ZINC001231766751 780469561 /nfs/dbraw/zinc/46/95/61/780469561.db2.gz FWKSVUNIKRFSPG-UWVGGRQHSA-N 0 3 271.292 -1.011 20 0 CAADHN Cn1cc(CN2CC[C@](C)(CO)[C@H](O)C2)c(=O)n(C)c1=O ZINC001231767690 780469599 /nfs/dbraw/zinc/46/95/99/780469599.db2.gz YKDJHHSLVFLOBT-BXUZGUMPSA-N 0 3 297.355 -1.351 20 0 CAADHN CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)CC(N)=O ZINC001277629341 780470628 /nfs/dbraw/zinc/47/06/28/780470628.db2.gz HTSIXXIZXKDQFT-JTQLQIEISA-N 0 3 284.360 -1.223 20 0 CAADHN CCNC(=O)CN[C@H](C)CN(C)C(=O)CC(N)=O ZINC001277781519 780471702 /nfs/dbraw/zinc/47/17/02/780471702.db2.gz LRRNXPXWINAELH-MRVPVSSYSA-N 0 3 258.322 -1.566 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)[N-][C@H]1C[NH2+]C[C@@H]1CO ZINC001238640156 780520724 /nfs/dbraw/zinc/52/07/24/780520724.db2.gz JBPRSQNKGYZBNF-RQJHMYQMSA-N 0 3 272.348 -2.512 20 0 CAADHN CC(=O)NCC(=O)N1CCC[C@H]1CNCC(N)=O ZINC001277798630 780474023 /nfs/dbraw/zinc/47/40/23/780474023.db2.gz XWVFADVZKVJZRD-VIFPVBQESA-N 0 3 256.306 -1.812 20 0 CAADHN CC[C@H](C(N)=O)N(C)CCCNC(=O)CNC(N)=O ZINC001233721829 780475612 /nfs/dbraw/zinc/47/56/12/780475612.db2.gz IRAJRMDNMHFFPJ-MRVPVSSYSA-N 0 3 273.337 -1.643 20 0 CAADHN C[C@@H]1COCCN1CCNS(=O)(=O)CCN ZINC001238714562 780523666 /nfs/dbraw/zinc/52/36/66/780523666.db2.gz UMXYRGRRSFJEBQ-SECBINFHSA-N 0 3 251.352 -1.415 20 0 CAADHN C[C@@H](CN(C)C(=O)c1ncn(C)n1)NCC(N)=O ZINC001277811145 780477469 /nfs/dbraw/zinc/47/74/69/780477469.db2.gz QKRUFXSFXUJCPV-ZETCQYMHSA-N 0 3 254.294 -1.650 20 0 CAADHN Cc1nnc(CC(=O)N(C)C[C@H](C)NCC(N)=O)[nH]1 ZINC001277819482 780478569 /nfs/dbraw/zinc/47/85/69/780478569.db2.gz MVZCGASWEKHJQE-ZETCQYMHSA-N 0 3 268.321 -1.423 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)CC(N)=O)C(=O)N(C)C ZINC001277830095 780480504 /nfs/dbraw/zinc/48/05/04/780480504.db2.gz ALUZJGKNDSBEER-NXEZZACHSA-N 0 3 284.360 -1.081 20 0 CAADHN C[C@@H](NC[C@H]1CCCN1C(=O)CC(N)=O)C(N)=O ZINC001277832082 780480524 /nfs/dbraw/zinc/48/05/24/780480524.db2.gz PSHLARGMLJDPIE-HTQZYQBOSA-N 0 3 256.306 -1.684 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)Cn1ncnn1 ZINC001277850973 780482969 /nfs/dbraw/zinc/48/29/69/780482969.db2.gz CKGHMAKNCVEFTH-MRVPVSSYSA-N 0 3 267.293 -2.261 20 0 CAADHN NC(=O)CNC[C@H]1CCCN1C(=O)CCCCNC(N)=O ZINC001277892162 780487070 /nfs/dbraw/zinc/48/70/70/780487070.db2.gz KEHVOFIWXPUFEV-SNVBAGLBSA-N 0 3 299.375 -1.109 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CCC[C@H]1CNCC(N)=O ZINC001277874472 780487812 /nfs/dbraw/zinc/48/78/12/780487812.db2.gz PDROMHULVSFDGQ-QMMMGPOBSA-N 0 3 270.333 -1.436 20 0 CAADHN CC[C@H](N[C@@H](C)CN(C)C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001277920885 780488396 /nfs/dbraw/zinc/48/83/96/780488396.db2.gz BVTOMURKVDDFQB-IUCAKERBSA-N 0 3 284.360 -1.048 20 0 CAADHN CC[C@@H](N[C@@H](C)CN(C)C(=O)C1(C(N)=O)CC1)C(N)=O ZINC001277920884 780489253 /nfs/dbraw/zinc/48/92/53/780489253.db2.gz BVTOMURKVDDFQB-DTWKUNHWSA-N 0 3 284.360 -1.048 20 0 CAADHN COC(=O)CN1CCN(S(=O)(=O)CCN)CC1 ZINC000722215254 780489886 /nfs/dbraw/zinc/48/98/86/780489886.db2.gz WZJIZWSSDBFSFN-UHFFFAOYSA-N 0 3 265.335 -1.935 20 0 CAADHN CNC(=O)[C@H](C)NC[C@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC001277932698 780490150 /nfs/dbraw/zinc/49/01/50/780490150.db2.gz LIRPPZKNYCLHOZ-VHSXEESVSA-N 0 3 296.371 -1.033 20 0 CAADHN COCC(=O)NC1CCN(S(=O)(=O)CCN)CC1 ZINC000722215937 780490420 /nfs/dbraw/zinc/49/04/20/780490420.db2.gz UYTOJTDWFOJLRI-UHFFFAOYSA-N 0 3 279.362 -1.498 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C1(C(N)=O)CC1 ZINC001277932696 780490669 /nfs/dbraw/zinc/49/06/69/780490669.db2.gz LIRPPZKNYCLHOZ-NXEZZACHSA-N 0 3 296.371 -1.033 20 0 CAADHN COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2CCO)O1 ZINC001235498356 780492783 /nfs/dbraw/zinc/49/27/83/780492783.db2.gz RDWVCXUXICGXBC-MXWKQRLJSA-N 0 3 258.318 -1.027 20 0 CAADHN CN(CCCNC(=O)[C@H]1CCC(=O)N1)[C@H]1CCCNC1=O ZINC001235745829 780493633 /nfs/dbraw/zinc/49/36/33/780493633.db2.gz PYUQXYDYWSLDKD-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CN(CCCNC(=O)[C@H]1CCC(=O)N1)[C@@H]1CCCNC1=O ZINC001235745826 780494397 /nfs/dbraw/zinc/49/43/97/780494397.db2.gz PYUQXYDYWSLDKD-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN COC(=O)C[C@H]1CN(S(=O)(=O)CCN)CCO1 ZINC000722257951 780494628 /nfs/dbraw/zinc/49/46/28/780494628.db2.gz XCBUBKNMEHOHMD-QMMMGPOBSA-N 0 3 266.319 -1.461 20 0 CAADHN COC(=O)[C@@H]1CNCCN1Cc1cnc2n1CCNC2 ZINC001236059517 780495127 /nfs/dbraw/zinc/49/51/27/780495127.db2.gz JFUQPVRAHULBIN-NSHDSACASA-N 0 3 279.344 -1.067 20 0 CAADHN COC(=O)[C@@H]1CNCCN1Cc1cn2c(n1)CNCC2 ZINC001236054862 780495600 /nfs/dbraw/zinc/49/56/00/780495600.db2.gz IRQFOXSCAPTPDC-NSHDSACASA-N 0 3 279.344 -1.067 20 0 CAADHN C[C@@H](CN(C)C(=O)Cn1cncn1)NCC(N)=O ZINC001278009899 780497511 /nfs/dbraw/zinc/49/75/11/780497511.db2.gz FQQKPOBHDOZBMT-QMMMGPOBSA-N 0 3 254.294 -1.800 20 0 CAADHN C[C@H](CN(C)C(=O)c1ccn(C)n1)NCC(N)=O ZINC001278017733 780499148 /nfs/dbraw/zinc/49/91/48/780499148.db2.gz OADRIOUQIAGQDV-MRVPVSSYSA-N 0 3 253.306 -1.045 20 0 CAADHN COCCN[C@H](CO)CNC(=O)c1cnns1 ZINC001278048626 780501368 /nfs/dbraw/zinc/50/13/68/780501368.db2.gz RKKCYJBQMCLIPV-ZETCQYMHSA-N 0 3 260.319 -1.135 20 0 CAADHN CC(C)OCCN[C@@H](CO)CNC(=O)[C@H]1CCC(=O)N1 ZINC001278053229 780501562 /nfs/dbraw/zinc/50/15/62/780501562.db2.gz DJNQNDXQRLNOCK-GHMZBOCLSA-N 0 3 287.360 -1.243 20 0 CAADHN COC[C@@H](O)CN[C@H](CO)CNC(=O)C(=O)C(C)(C)C ZINC001278054808 780501976 /nfs/dbraw/zinc/50/19/76/780501976.db2.gz WJCZQRWWVXAHJP-UWVGGRQHSA-N 0 3 290.360 -1.324 20 0 CAADHN COC[C@H](O)CN[C@@H](CO)CNC(=O)C(=O)C(C)(C)C ZINC001278054807 780502125 /nfs/dbraw/zinc/50/21/25/780502125.db2.gz WJCZQRWWVXAHJP-NXEZZACHSA-N 0 3 290.360 -1.324 20 0 CAADHN CCOCCN[C@@H](CO)CNC(=O)c1cn(C)nn1 ZINC001278070489 780503119 /nfs/dbraw/zinc/50/31/19/780503119.db2.gz IVLGIMWFRSVUPZ-SECBINFHSA-N 0 3 271.321 -1.468 20 0 CAADHN O=C(CCc1nnc[nH]1)NC[C@H](CO)NCCF ZINC001278061774 780503386 /nfs/dbraw/zinc/50/33/86/780503386.db2.gz NYFUXNYGBMVJPT-MRVPVSSYSA-N 0 3 259.285 -1.227 20 0 CAADHN CCOCCN[C@H](CO)CNC(=O)c1cn(C)nn1 ZINC001278070491 780503555 /nfs/dbraw/zinc/50/35/55/780503555.db2.gz IVLGIMWFRSVUPZ-VIFPVBQESA-N 0 3 271.321 -1.468 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)CC1CS(=O)(=O)C1 ZINC001278106360 780507031 /nfs/dbraw/zinc/50/70/31/780507031.db2.gz XLZLJAMMWMOFCD-SNVBAGLBSA-N 0 3 294.373 -1.866 20 0 CAADHN COCCN[C@@H](CO)CNC(=O)c1cc(OC)n(C)n1 ZINC001278112536 780507063 /nfs/dbraw/zinc/50/70/63/780507063.db2.gz MJIHIPLMIQKJAX-SECBINFHSA-N 0 3 286.332 -1.245 20 0 CAADHN NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CCCNC1=O ZINC001281868064 780507236 /nfs/dbraw/zinc/50/72/36/780507236.db2.gz DJKPOCHTLJXGNM-QWRGUYRKSA-N 0 3 296.371 -1.031 20 0 CAADHN NC(=O)C(=O)NC[C@@H](CO)NC[C@@H]1CCS(=O)(=O)C1 ZINC001278146265 780509276 /nfs/dbraw/zinc/50/92/76/780509276.db2.gz FDESBHNCFYTCHJ-YUMQZZPRSA-N 0 3 293.345 -3.027 20 0 CAADHN O=C1C[C@@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)CC2CC2)N1 ZINC001238330778 780516963 /nfs/dbraw/zinc/51/69/63/780516963.db2.gz LRJXMSSMIYJXLH-WPRPVWTQSA-N 0 3 259.331 -1.106 20 0 CAADHN Cc1oncc1S(=O)(=O)[N-][C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238334746 780517039 /nfs/dbraw/zinc/51/70/39/780517039.db2.gz ZOOCCIQIPDSSSC-WCBMZHEXSA-N 0 3 286.313 -1.161 20 0 CAADHN Cn1cc2c(n1)[C@@H](CNS(=O)(=O)CCN)OCC2 ZINC001238363786 780517170 /nfs/dbraw/zinc/51/71/70/780517170.db2.gz LZEBOFUBBCPBTD-SECBINFHSA-N 0 3 274.346 -1.088 20 0 CAADHN COC(=O)CS(=O)(=O)[N-][C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238329151 780517213 /nfs/dbraw/zinc/51/72/13/780517213.db2.gz JHTSDOFXAYAXPC-MUWHJKNJSA-N 0 3 277.302 -2.343 20 0 CAADHN Cc1oncc1S(=O)(=O)[N-][C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238334730 780517400 /nfs/dbraw/zinc/51/74/00/780517400.db2.gz ZOOCCIQIPDSSSC-PSASIEDQSA-N 0 3 286.313 -1.161 20 0 CAADHN COC(=O)CS(=O)(=O)[N-][C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001238329140 780517460 /nfs/dbraw/zinc/51/74/60/780517460.db2.gz JHTSDOFXAYAXPC-HZGVNTEJSA-N 0 3 277.302 -2.343 20 0 CAADHN O=C1C[C@H]2[NH2+]CC[C@@]2([N-]S(=O)(=O)CC2CC2)N1 ZINC001238330771 780517504 /nfs/dbraw/zinc/51/75/04/780517504.db2.gz LRJXMSSMIYJXLH-SCZZXKLOSA-N 0 3 259.331 -1.106 20 0 CAADHN CCOCCS(=O)(=O)[N-][C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001238333756 780517589 /nfs/dbraw/zinc/51/75/89/780517589.db2.gz WWIOAUNSBLJYPP-WPRPVWTQSA-N 0 3 277.346 -1.480 20 0 CAADHN O=C1C[C@@H]2[NH2+]CC[C@]2([N-]S(=O)(=O)CC2CC2)N1 ZINC001238330775 780517652 /nfs/dbraw/zinc/51/76/52/780517652.db2.gz LRJXMSSMIYJXLH-WCBMZHEXSA-N 0 3 259.331 -1.106 20 0 CAADHN CN(C)C(=O)c1nc(C[N-]S(=O)(=O)CC[NH3+])no1 ZINC001238377912 780517882 /nfs/dbraw/zinc/51/78/82/780517882.db2.gz DGDPHEQRKMLYSW-UHFFFAOYSA-N 0 3 277.306 -1.851 20 0 CAADHN O=C1CCNC[C@@H]1[N-]S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238628476 780519909 /nfs/dbraw/zinc/51/99/09/780519909.db2.gz RJUMYKYRBZFSFX-JTQLQIEISA-N 0 3 275.374 -1.164 20 0 CAADHN CC(C)[C@H](NS(=O)(=O)CCN)C(=O)N1CCOCC1 ZINC001238596030 780520179 /nfs/dbraw/zinc/52/01/79/780520179.db2.gz PSZXTTKODMYFKV-JTQLQIEISA-N 0 3 293.389 -1.252 20 0 CAADHN CS(=O)(=O)CS(=O)(=O)[N-][C@@H]1C[NH2+]C[C@@H]1CO ZINC001238640155 780520437 /nfs/dbraw/zinc/52/04/37/780520437.db2.gz JBPRSQNKGYZBNF-RNFRBKRXSA-N 0 3 272.348 -2.512 20 0 CAADHN O=C1CCNC[C@H]1[N-]S(=O)(=O)C1CC[NH2+]CC1 ZINC001238626985 780520843 /nfs/dbraw/zinc/52/08/43/780520843.db2.gz JLWFBJOUIHJKDK-SECBINFHSA-N 0 3 261.347 -1.411 20 0 CAADHN NCCS(=O)(=O)NCC(=O)NCc1ccco1 ZINC001238611120 780521067 /nfs/dbraw/zinc/52/10/67/780521067.db2.gz NDULQRNDMMGNLB-UHFFFAOYSA-N 0 3 261.303 -1.226 20 0 CAADHN C[C@H]1COCCN1CCNS(=O)(=O)CCN ZINC001238714565 780522914 /nfs/dbraw/zinc/52/29/14/780522914.db2.gz UMXYRGRRSFJEBQ-VIFPVBQESA-N 0 3 251.352 -1.415 20 0 CAADHN CCOC(=O)CN1CCC(NS(=O)(=O)CCN)CC1 ZINC001238807754 780522633 /nfs/dbraw/zinc/52/26/33/780522633.db2.gz KJFYCDRPVLTDII-UHFFFAOYSA-N 0 3 293.389 -1.108 20 0 CAADHN NC(=O)C(=O)N[C@@H](CN[C@H]1CCNC1=O)C1CCCC1 ZINC001278268655 780522839 /nfs/dbraw/zinc/52/28/39/780522839.db2.gz XNXNJBZKGMGMNC-UWVGGRQHSA-N 0 3 282.344 -1.375 20 0 CAADHN NC(=O)[C@@H](N)CCCCNS(=O)(=O)c1cn[nH]c1 ZINC001238837294 780522926 /nfs/dbraw/zinc/52/29/26/780522926.db2.gz RNLYGVQXADJBNA-QMMMGPOBSA-N 0 3 275.334 -1.329 20 0 CAADHN COCC(=O)N[C@H]1CC[C@H](NS(=O)(=O)CCN)CC1 ZINC001238828166 780523051 /nfs/dbraw/zinc/52/30/51/780523051.db2.gz NFLAEGLLKUGBMZ-MGCOHNPYSA-N 0 3 293.389 -1.062 20 0 CAADHN COC(=O)CC[C@H](NS(=O)(=O)CCN)C(N)=O ZINC001238828233 780523070 /nfs/dbraw/zinc/52/30/70/780523070.db2.gz OOMMBYSXFMFCEH-LURJTMIESA-N 0 3 267.307 -2.328 20 0 CAADHN COC(=O)CNC(=O)[C@H](C)NS(=O)(=O)CCN ZINC001238837569 780523299 /nfs/dbraw/zinc/52/32/99/780523299.db2.gz WDBYDONUFQNPNV-LURJTMIESA-N 0 3 267.307 -2.458 20 0 CAADHN NC(=O)C(=O)N[C@H](CN[C@H]1CCNC1=O)C1CCCC1 ZINC001278268657 780523387 /nfs/dbraw/zinc/52/33/87/780523387.db2.gz XNXNJBZKGMGMNC-VHSXEESVSA-N 0 3 282.344 -1.375 20 0 CAADHN COC(=O)[C@@H](Cc1cncn1C)[N-]S(=O)(=O)CC[NH3+] ZINC001238746881 780523635 /nfs/dbraw/zinc/52/36/35/780523635.db2.gz UCMBXPQYZNQJRK-SECBINFHSA-N 0 3 290.345 -1.618 20 0 CAADHN NCCS(=O)(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001239045330 780529069 /nfs/dbraw/zinc/52/90/69/780529069.db2.gz CUWLRUZJIXUOCO-UHFFFAOYSA-N 0 3 277.346 -1.744 20 0 CAADHN NCCS(=O)(=O)N1CCO[C@@]2(CCOC2)C1 ZINC001239014384 780529224 /nfs/dbraw/zinc/52/92/24/780529224.db2.gz BBJQOJBOFAQNMM-VIFPVBQESA-N 0 3 250.320 -1.234 20 0 CAADHN CN(C1CN(S(=O)(=O)CCN)C1)[C@@H]1CCOC1 ZINC001239097602 780529951 /nfs/dbraw/zinc/52/99/51/780529951.db2.gz JOPANOWXQDOUDS-SECBINFHSA-N 0 3 263.363 -1.320 20 0 CAADHN NCCS(=O)(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001239108024 780531522 /nfs/dbraw/zinc/53/15/22/780531522.db2.gz VVHQXEVBIJUURD-QMMMGPOBSA-N 0 3 263.319 -2.182 20 0 CAADHN COC(=O)c1cn2c(n1)CN(S(=O)(=O)CCN)CC2 ZINC001239113328 780531852 /nfs/dbraw/zinc/53/18/52/780531852.db2.gz BNUNELHMZVVFSF-UHFFFAOYSA-N 0 3 288.329 -1.226 20 0 CAADHN COC(=O)C[C@H]1COCCN1S(=O)(=O)CCN ZINC001239113961 780532014 /nfs/dbraw/zinc/53/20/14/780532014.db2.gz PJRDYCWFJZWVIX-QMMMGPOBSA-N 0 3 266.319 -1.461 20 0 CAADHN COC(=O)[C@H]1CN(S(=O)(=O)C(F)F)C[C@@H]1N ZINC001239137521 780532032 /nfs/dbraw/zinc/53/20/32/780532032.db2.gz XUYQJMIAQDTBGR-WHFBIAKZSA-N 0 3 258.246 -1.029 20 0 CAADHN COC(=O)[C@@H]1CN(S(=O)(=O)C(F)F)C[C@@H]1N ZINC001239137520 780532043 /nfs/dbraw/zinc/53/20/43/780532043.db2.gz XUYQJMIAQDTBGR-UHNVWZDZSA-N 0 3 258.246 -1.029 20 0 CAADHN NCCS(=O)(=O)N1CCC2(COC(=O)N2)CC1 ZINC001239114125 780532075 /nfs/dbraw/zinc/53/20/75/780532075.db2.gz TVGRQCGBORRCIE-UHFFFAOYSA-N 0 3 263.319 -1.151 20 0 CAADHN CNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)COCCOC)C1 ZINC001278354264 780537046 /nfs/dbraw/zinc/53/70/46/780537046.db2.gz AXRPMBZTMWBXNR-MNOVXSKESA-N 0 3 287.360 -1.026 20 0 CAADHN CNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)COCCOC)C1 ZINC001278354263 780537103 /nfs/dbraw/zinc/53/71/03/780537103.db2.gz AXRPMBZTMWBXNR-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN COC(=O)CNC(=S)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239450604 780537116 /nfs/dbraw/zinc/53/71/16/780537116.db2.gz CCNSDCJPVYVSQC-NKWVEPMBSA-N 0 3 275.330 -1.534 20 0 CAADHN COCC(=O)N1C[C@H](NCCNS(C)(=O)=O)C[C@@H]1C ZINC001278335516 780537131 /nfs/dbraw/zinc/53/71/31/780537131.db2.gz NTTGXTBJJNDZSD-VHSXEESVSA-N 0 3 293.389 -1.239 20 0 CAADHN COCCNC(=S)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239450289 780537175 /nfs/dbraw/zinc/53/71/75/780537175.db2.gz AQMDHPIPPKCOCN-HTQZYQBOSA-N 0 3 261.347 -1.061 20 0 CAADHN CCOC(=O)CNC(=S)N1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001239452276 780537405 /nfs/dbraw/zinc/53/74/05/780537405.db2.gz PEPYIKOWYXVRRV-JGVFFNPUSA-N 0 3 289.357 -1.144 20 0 CAADHN COC(=O)CNC(=S)N1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001239450608 780537612 /nfs/dbraw/zinc/53/76/12/780537612.db2.gz CCNSDCJPVYVSQC-RQJHMYQMSA-N 0 3 275.330 -1.534 20 0 CAADHN CCOC(=O)CNC(=S)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239452278 780537797 /nfs/dbraw/zinc/53/77/97/780537797.db2.gz PEPYIKOWYXVRRV-YUMQZZPRSA-N 0 3 289.357 -1.144 20 0 CAADHN CCOC(=O)CNC(=S)N1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001239452275 780537942 /nfs/dbraw/zinc/53/79/42/780537942.db2.gz PEPYIKOWYXVRRV-HTQZYQBOSA-N 0 3 289.357 -1.144 20 0 CAADHN COC(=O)CNC(=S)N1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001239450600 780537970 /nfs/dbraw/zinc/53/79/70/780537970.db2.gz CCNSDCJPVYVSQC-BQBZGAKWSA-N 0 3 275.330 -1.534 20 0 CAADHN CCOC(=O)C[C@H](O)CNC[C@@H](N)C(=O)OCC ZINC001246006511 780539503 /nfs/dbraw/zinc/53/95/03/780539503.db2.gz IINHMPVVDRFHRA-DTWKUNHWSA-N 0 3 262.306 -1.220 20 0 CAADHN CCOC(=O)[C@H](N)CNC[C@@H](O)CN1CCOCC1 ZINC001246007356 780540065 /nfs/dbraw/zinc/54/00/65/780540065.db2.gz KKKHIOUADYYYER-GHMZBOCLSA-N 0 3 275.349 -1.841 20 0 CAADHN CCOC(=O)C[C@H](O)CN1CCNC[C@H]1C(=O)OC ZINC001246048855 780540558 /nfs/dbraw/zinc/54/05/58/780540558.db2.gz OABPYSLSDKXYSC-UWVGGRQHSA-N 0 3 274.317 -1.253 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCN2CCOCC2)CN1 ZINC001246068122 780542370 /nfs/dbraw/zinc/54/23/70/780542370.db2.gz YNJWXQLAPATBGK-MNOVXSKESA-N 0 3 257.334 -1.188 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCC(=O)N2CCOCC2)CN1 ZINC001246079124 780542507 /nfs/dbraw/zinc/54/25/07/780542507.db2.gz JFCRKYKRHOGCSK-QWRGUYRKSA-N 0 3 285.344 -1.272 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCN2CCOCC2)CN1 ZINC001246068124 780543216 /nfs/dbraw/zinc/54/32/16/780543216.db2.gz YNJWXQLAPATBGK-QWRGUYRKSA-N 0 3 257.334 -1.188 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NC[C@H]2CN(C)CCO2)CN1 ZINC001246101778 780544088 /nfs/dbraw/zinc/54/40/88/780544088.db2.gz MDAXBCTZCVZMJP-DCAQKATOSA-N 0 3 257.334 -1.190 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC[C@H]2CN(C)CCO2)CN1 ZINC001246101782 780544195 /nfs/dbraw/zinc/54/41/95/780544195.db2.gz MDAXBCTZCVZMJP-VWYCJHECSA-N 0 3 257.334 -1.190 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NC[C@@H]2CN(C)CCO2)CN1 ZINC001246101771 780544506 /nfs/dbraw/zinc/54/45/06/780544506.db2.gz MDAXBCTZCVZMJP-AXFHLTTASA-N 0 3 257.334 -1.190 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NC[C@@H]2CN(C)CCO2)CN1 ZINC001246101781 780544918 /nfs/dbraw/zinc/54/49/18/780544918.db2.gz MDAXBCTZCVZMJP-MXWKQRLJSA-N 0 3 257.334 -1.190 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](N[C@H]2CCC(=O)NC2=O)CN1 ZINC001246187197 780546687 /nfs/dbraw/zinc/54/66/87/780546687.db2.gz NHDCDKDGXMTIJW-CIUDSAMLSA-N 0 3 269.301 -1.325 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N(C)S(=O)(=O)CCN)CN1 ZINC001246185340 780546704 /nfs/dbraw/zinc/54/67/04/780546704.db2.gz URRZWGTXSPIUDF-YUMQZZPRSA-N 0 3 265.335 -1.890 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N(C)S(=O)(=O)CCN)CN1 ZINC001246185339 780546733 /nfs/dbraw/zinc/54/67/33/780546733.db2.gz URRZWGTXSPIUDF-SFYZADRCSA-N 0 3 265.335 -1.890 20 0 CAADHN COC(=O)[C@@H]1C[C@@H]([NH2+]CCCc2c[n-][nH]c2=O)CN1 ZINC001246171767 780546944 /nfs/dbraw/zinc/54/69/44/780546944.db2.gz DGARODGKSMAKDI-AEJSXWLSSA-N 0 3 268.317 -1.009 20 0 CAADHN COC(=O)[C@@H]1C[C@H]([NH2+]CCCc2c[n-][nH]c2=O)CN1 ZINC001246171773 780546969 /nfs/dbraw/zinc/54/69/69/780546969.db2.gz DGARODGKSMAKDI-GUBZILKMSA-N 0 3 268.317 -1.009 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](NCC(=O)N2CCOCC2)CN1 ZINC001246173828 780547216 /nfs/dbraw/zinc/54/72/16/780547216.db2.gz MVIDLQCTEVJUSI-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN CCOC(=O)CC1(N[C@H]2CN[C@H](C(=O)OC)C2)CNC1 ZINC001246245938 780549903 /nfs/dbraw/zinc/54/99/03/780549903.db2.gz BLHLLDNKGYYJSF-ZJUUUORDSA-N 0 3 285.344 -1.225 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCC(=O)N2CCN(C)CC2)CN1 ZINC001246257149 780550030 /nfs/dbraw/zinc/55/00/30/780550030.db2.gz UJQOXMXLKOBYPJ-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN COC(=O)[C@@H](N)CN[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246268029 780551246 /nfs/dbraw/zinc/55/12/46/780551246.db2.gz VULHATNBAMBXAP-VGMNWLOBSA-N 0 3 259.306 -1.630 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCN2CCC[C@@H](O)C2)CN1 ZINC001246311912 780551854 /nfs/dbraw/zinc/55/18/54/780551854.db2.gz AEEGUGKADIJLDQ-TUAOUCFPSA-N 0 3 271.361 -1.064 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NCCN2CCC[C@H](O)C2)CN1 ZINC001246311910 780551885 /nfs/dbraw/zinc/55/18/85/780551885.db2.gz AEEGUGKADIJLDQ-SRVKXCTJSA-N 0 3 271.361 -1.064 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCN2CCC[C@H](O)C2)CN1 ZINC001246311917 780552314 /nfs/dbraw/zinc/55/23/14/780552314.db2.gz AEEGUGKADIJLDQ-WOPDTQHZSA-N 0 3 271.361 -1.064 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCN2CCC[C@@H](O)C2)CN1 ZINC001246311914 780552382 /nfs/dbraw/zinc/55/23/82/780552382.db2.gz AEEGUGKADIJLDQ-UTUOFQBUSA-N 0 3 271.361 -1.064 20 0 CAADHN CCOC(=O)[C@H](N)CN[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246414718 780553205 /nfs/dbraw/zinc/55/32/05/780553205.db2.gz BEFUXYTXOIXZNV-AEJSXWLSSA-N 0 3 273.333 -1.240 20 0 CAADHN CCOC(=O)[C@H](N)CN[C@@H]1CCN[C@H](C(=O)OC)C1 ZINC001246418746 780553317 /nfs/dbraw/zinc/55/33/17/780553317.db2.gz RJKNVNQNVKWHQY-BBBLOLIVSA-N 0 3 273.333 -1.240 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](n2cc(CN)cnc2=N)CN1 ZINC001246375225 780554198 /nfs/dbraw/zinc/55/41/98/780554198.db2.gz XBPQSCDRQQUVHL-BDAKNGLRSA-N 0 3 251.290 -1.103 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](n2cnc(C[C@H](N)C(N)=O)c2)CN1 ZINC001246525720 780557458 /nfs/dbraw/zinc/55/74/58/780557458.db2.gz SAMMAHXOVYAQRB-UTLUCORTSA-N 0 3 281.316 -1.686 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3OCCN[C@H]3C2)CN1 ZINC001246658231 780560303 /nfs/dbraw/zinc/56/03/03/780560303.db2.gz PQMJEQSYYUZCCK-RHYQMDGZSA-N 0 3 269.345 -1.047 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](N2CCOC3(CNC3)C2)CN1 ZINC001246627819 780560333 /nfs/dbraw/zinc/56/03/33/780560333.db2.gz XPLVUXVGBWJDJY-MNOVXSKESA-N 0 3 269.345 -1.046 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CCNC[C@@H]2C(=O)OC)CN1 ZINC001246627789 780560574 /nfs/dbraw/zinc/56/05/74/780560574.db2.gz XKBCBRAGZXXDRO-LPEHRKFASA-N 0 3 271.317 -1.663 20 0 CAADHN COC(=O)[C@@H]1CC[C@H](N2C[C@H]3CNC[C@@H](C2)O3)CN1 ZINC001246675882 780561258 /nfs/dbraw/zinc/56/12/58/780561258.db2.gz BRWZKINFZXSYKH-YFKTTZPYSA-N 0 3 269.345 -1.047 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CCNC[C@H]2C(=O)OC)CCN1 ZINC001246857985 780563067 /nfs/dbraw/zinc/56/30/67/780563067.db2.gz YOMXHXOXALFKLR-DCAQKATOSA-N 0 3 285.344 -1.273 20 0 CAADHN O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C[C@H]1C[C@@H](O)C1)O3 ZINC001247008727 780566237 /nfs/dbraw/zinc/56/62/37/780566237.db2.gz KXEZSVIEAWLTNB-LVEVGFFFSA-N 0 3 288.369 -1.098 20 0 CAADHN COC(=O)[C@@H]1CN([C@@H]2CCS(=O)(=O)C2)C[C@H]1N ZINC001246933143 780566389 /nfs/dbraw/zinc/56/63/89/780566389.db2.gz QRGMRURTWDJVJP-IWSPIJDZSA-N 0 3 262.331 -1.394 20 0 CAADHN OCC(CO)(CO)NC[C@@H](O)COc1cccc(F)c1 ZINC001250824955 780568904 /nfs/dbraw/zinc/56/89/04/780568904.db2.gz VVOWFAMBMQXPIR-LLVKDONJSA-N 0 3 289.303 -1.129 20 0 CAADHN OCCCN1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC001251010645 780570073 /nfs/dbraw/zinc/57/00/73/780570073.db2.gz ZOXHVGFVLMGZPM-CQSZACIVSA-N 0 3 287.404 -1.321 20 0 CAADHN O[C@H](CNC1CN(c2ncccn2)C1)CN1CCOCC1 ZINC001251040073 780571261 /nfs/dbraw/zinc/57/12/61/780571261.db2.gz ONUFTAVHMQTIHY-CYBMUJFWSA-N 0 3 293.371 -1.052 20 0 CAADHN O[C@@H](CNC1CN(c2cnccn2)C1)CN1CCOCC1 ZINC001251039700 780571298 /nfs/dbraw/zinc/57/12/98/780571298.db2.gz KGLDIUGLUJNTNX-ZDUSSCGKSA-N 0 3 293.371 -1.052 20 0 CAADHN CS(=O)(=O)[C@H]1C[C@@H](NC[C@H](O)CN2CCOCC2)C1 ZINC001251036504 780571545 /nfs/dbraw/zinc/57/15/45/780571545.db2.gz IQOHIQVYCNKSPP-SDDRHHMPSA-N 0 3 292.401 -1.155 20 0 CAADHN O=c1[nH][n-]cc1CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251035136 780571653 /nfs/dbraw/zinc/57/16/53/780571653.db2.gz HFFARUFZYSFGSI-NEPJUHHUSA-N 0 3 284.360 -1.219 20 0 CAADHN CS(=O)(=O)[C@H]1C[C@@H](NC[C@@H](O)CN2CCOCC2)C1 ZINC001251036505 780571967 /nfs/dbraw/zinc/57/19/67/780571967.db2.gz IQOHIQVYCNKSPP-UTUOFQBUSA-N 0 3 292.401 -1.155 20 0 CAADHN O=c1[nH][n-]cc1CCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC001251035138 780572068 /nfs/dbraw/zinc/57/20/68/780572068.db2.gz HFFARUFZYSFGSI-RYUDHWBXSA-N 0 3 284.360 -1.219 20 0 CAADHN O=C(CNC[C@H](O)CN1CCOCC1)NC1CCC1 ZINC001251047141 780572642 /nfs/dbraw/zinc/57/26/42/780572642.db2.gz VPIJCUDLKXLUOI-LBPRGKRZSA-N 0 3 271.361 -1.062 20 0 CAADHN O[C@@H](CNC1CN(C2COC2)C1)CN1CCOCC1 ZINC001251047619 780572751 /nfs/dbraw/zinc/57/27/51/780572751.db2.gz URFDDDOLIXBQNV-ZDUSSCGKSA-N 0 3 271.361 -1.648 20 0 CAADHN COC(=O)CNC(=O)CNC[C@@H](O)CN1CCOCC1 ZINC001251041098 780573255 /nfs/dbraw/zinc/57/32/55/780573255.db2.gz DCTOERGGSAXKNO-SNVBAGLBSA-N 0 3 289.332 -2.442 20 0 CAADHN CCOC(=O)C1CCC(O)(CN[C@@H](CO)C(N)=O)CC1 ZINC001251071519 780573488 /nfs/dbraw/zinc/57/34/88/780573488.db2.gz CMWUUYJRTMUZMI-QUNCOHTASA-N 0 3 288.344 -1.093 20 0 CAADHN COC(=O)CNC(=O)CNC[C@H](O)CN1CCOCC1 ZINC001251041094 780573499 /nfs/dbraw/zinc/57/34/99/780573499.db2.gz DCTOERGGSAXKNO-JTQLQIEISA-N 0 3 289.332 -2.442 20 0 CAADHN O=C(CN1C(=O)CNC1=O)N[C@H]1CCN(C2CC2)C1 ZINC001251703749 780576436 /nfs/dbraw/zinc/57/64/36/780576436.db2.gz FBCUUGUFSKEOFE-QMMMGPOBSA-N 0 3 266.301 -1.109 20 0 CAADHN C[C@H](O)CNCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O ZINC001251975373 780579496 /nfs/dbraw/zinc/57/94/96/780579496.db2.gz KWORSCUDCUELFW-IUCAKERBSA-N 0 3 286.332 -2.451 20 0 CAADHN CC(=O)N1CC(=O)NC[C@]12CCN(C[C@H](C)O)C2 ZINC001251958536 780579584 /nfs/dbraw/zinc/57/95/84/780579584.db2.gz JCRUFYJIOVDZQT-CABZTGNLSA-N 0 3 255.318 -1.210 20 0 CAADHN CON(C)C(=O)CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC001252010099 780579796 /nfs/dbraw/zinc/57/97/96/780579796.db2.gz TUIFSEHMKLQVFO-LLVKDONJSA-N 0 3 274.321 -1.628 20 0 CAADHN CCOC[C@@H](O)CNCC(=O)NCC(=O)OCC ZINC001252046164 780580587 /nfs/dbraw/zinc/58/05/87/780580587.db2.gz YJSBHDCYHBKUTA-VIFPVBQESA-N 0 3 262.306 -1.347 20 0 CAADHN CCOC[C@@H](O)CN1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001252027267 780580783 /nfs/dbraw/zinc/58/07/83/780580783.db2.gz VAOLQDDMQDYSBO-JSGCOSHPSA-N 0 3 299.371 -1.193 20 0 CAADHN CC(=O)N1CCO[C@@H]2CN(C[C@H](O)CO)CC[C@@H]2C1 ZINC001252058136 780580988 /nfs/dbraw/zinc/58/09/88/780580988.db2.gz VTRPYYISJXHXQT-FRRDWIJNSA-N 0 3 272.345 -1.091 20 0 CAADHN CCOC[C@H](O)CN1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001252027268 780581096 /nfs/dbraw/zinc/58/10/96/780581096.db2.gz VAOLQDDMQDYSBO-OCCSQVGLSA-N 0 3 299.371 -1.193 20 0 CAADHN CN(C)Cc1cc(=O)n2c(n1)CN(C[C@H](O)CO)CCC2 ZINC001252058565 780581123 /nfs/dbraw/zinc/58/11/23/780581123.db2.gz DKNBOMJNNJILCJ-LBPRGKRZSA-N 0 3 296.371 -1.136 20 0 CAADHN CCOC[C@H](O)CN[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C ZINC001252052577 780581211 /nfs/dbraw/zinc/58/12/11/780581211.db2.gz QPHCSTGTTVWHRA-AXFHLTTASA-N 0 3 289.376 -1.012 20 0 CAADHN Cn1cc(N2C(=O)C[C@@H]3[C@H]2CCN3C[C@H](O)CO)cn1 ZINC001252058359 780581237 /nfs/dbraw/zinc/58/12/37/780581237.db2.gz AIRVLYDIJOGQPN-QJPTWQEYSA-N 0 3 280.328 -1.047 20 0 CAADHN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C[C@H](O)CO)cn1 ZINC001252057030 780581282 /nfs/dbraw/zinc/58/12/82/780581282.db2.gz AIRVLYDIJOGQPN-SDDRHHMPSA-N 0 3 280.328 -1.047 20 0 CAADHN CN(C)C(=O)CN1C(=O)C[C@H]2[C@@H]1CCN2C[C@H](O)CO ZINC001252059653 780581994 /nfs/dbraw/zinc/58/19/94/780581994.db2.gz GNWZQSAWDRZFDH-DCAQKATOSA-N 0 3 285.344 -1.897 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](C(=O)OC)CN(C[C@H](O)CO)C1 ZINC001252060421 780582280 /nfs/dbraw/zinc/58/22/80/780582280.db2.gz SJQGTTBYOQNSKW-BBBLOLIVSA-N 0 3 275.301 -1.376 20 0 CAADHN COC(=O)[C@H](O)CN1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001252423520 780585111 /nfs/dbraw/zinc/58/51/11/780585111.db2.gz RHFNKOBBJXWRSA-GHMZBOCLSA-N 0 3 287.360 -1.338 20 0 CAADHN COC(=O)[C@@H](O)CN1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001252423521 780585599 /nfs/dbraw/zinc/58/55/99/780585599.db2.gz RHFNKOBBJXWRSA-MNOVXSKESA-N 0 3 287.360 -1.338 20 0 CAADHN COC(=O)[C@H](O)CN1CCC2(CC1)NC(=O)NC2=O ZINC001252427341 780586380 /nfs/dbraw/zinc/58/63/80/780586380.db2.gz HRLNGQYTWHCQDG-SSDOTTSWSA-N 0 3 271.273 -1.806 20 0 CAADHN COC(=O)CNC(=O)CNC[C@H](O)COC(C)C ZINC001252695088 780589240 /nfs/dbraw/zinc/58/92/40/780589240.db2.gz QZCAEYWKWBJJIT-VIFPVBQESA-N 0 3 262.306 -1.349 20 0 CAADHN CC(=O)N(C)C[C@H](O)CNCCS(C)(=O)=O ZINC001278703530 780592233 /nfs/dbraw/zinc/59/22/33/780592233.db2.gz JGGAWNXPBJEHGX-SECBINFHSA-N 0 3 252.336 -1.540 20 0 CAADHN CN(C[C@@H](O)CNC/C=C/Cl)C(=O)Cn1cnnn1 ZINC001278731195 780593391 /nfs/dbraw/zinc/59/33/91/780593391.db2.gz IAMLTANUALXKAT-HPOULIHZSA-N 0 3 288.739 -1.166 20 0 CAADHN C[C@@H](NC[C@H](O)CN(C)C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001278768134 780600671 /nfs/dbraw/zinc/60/06/71/780600671.db2.gz PBEHXCKLTDUHJN-SFYZADRCSA-N 0 3 288.348 -2.219 20 0 CAADHN C[C@@H](NC[C@@H](O)CN(C)C(=O)C(C)(C)C(N)=O)C(N)=O ZINC001278768132 780601117 /nfs/dbraw/zinc/60/11/17/780601117.db2.gz PBEHXCKLTDUHJN-HTQZYQBOSA-N 0 3 288.348 -2.219 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)c1cc(=O)n(C)cn1 ZINC001278768212 780601166 /nfs/dbraw/zinc/60/11/66/780601166.db2.gz QOVJYXFEFMFPMW-SECBINFHSA-N 0 3 286.307 -1.228 20 0 CAADHN CCCOCC(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001278766917 780601272 /nfs/dbraw/zinc/60/12/72/780601272.db2.gz OPUNHECILVPYFA-GFCCVEGCSA-N 0 3 260.334 -1.042 20 0 CAADHN CC(=O)N1CCC(N[C@@H](CC(N)=O)C(N)=O)CC1 ZINC001254421442 780604405 /nfs/dbraw/zinc/60/44/05/780604405.db2.gz QVPLMJFVJTXSNJ-VIFPVBQESA-N 0 3 256.306 -1.684 20 0 CAADHN C[C@H](CNC(=O)C(=O)NCCN(C)C)S(N)(=O)=O ZINC001254438819 780604506 /nfs/dbraw/zinc/60/45/06/780604506.db2.gz OHPNPSRYQTZEEU-SSDOTTSWSA-N 0 3 280.350 -2.543 20 0 CAADHN Cc1nc([C@H](C)NC[C@H](O)CN(C)C(=O)C(N)=O)n[nH]1 ZINC001278797720 780606269 /nfs/dbraw/zinc/60/62/69/780606269.db2.gz LJZODMNBAXFRRK-XPUUQOCRSA-N 0 3 284.320 -1.932 20 0 CAADHN Cc1nc(CNC[C@@H](O)CN(C)C(=O)C(N)=O)n[nH]1 ZINC001278799064 780606559 /nfs/dbraw/zinc/60/65/59/780606559.db2.gz ZSNBYWAPVJNMLB-SSDOTTSWSA-N 0 3 270.293 -2.493 20 0 CAADHN COCCOCCN1CC[C@](O)(CNC(=O)C(N)=O)C1 ZINC001278799787 780606671 /nfs/dbraw/zinc/60/66/71/780606671.db2.gz GORNXLLJEYIUNO-LBPRGKRZSA-N 0 3 289.332 -2.312 20 0 CAADHN CCOCCN1CC[C@](O)(CNC(=O)c2nnn(C)n2)C1 ZINC001278799405 780606708 /nfs/dbraw/zinc/60/67/08/780606708.db2.gz AIHPVPSYHWZKFM-LBPRGKRZSA-N 0 3 298.347 -1.587 20 0 CAADHN C[C@@]1(C(=O)NC[C@]2(O)CCN(CCO)C2)CCNC1=O ZINC001278805955 780607769 /nfs/dbraw/zinc/60/77/69/780607769.db2.gz TVPPUEZUSFPQNM-CHWSQXEVSA-N 0 3 285.344 -1.942 20 0 CAADHN CCS(=O)(=O)C[C@@H](C)NCCN1C(=O)CNC1=O ZINC001254819770 780608906 /nfs/dbraw/zinc/60/89/06/780608906.db2.gz CMQBNGCSQGAHKH-MRVPVSSYSA-N 0 3 277.346 -1.049 20 0 CAADHN CCS(=O)(=O)C[C@H](C)NCCN1C(=O)CNC1=O ZINC001254819771 780608915 /nfs/dbraw/zinc/60/89/15/780608915.db2.gz CMQBNGCSQGAHKH-QMMMGPOBSA-N 0 3 277.346 -1.049 20 0 CAADHN NC(=O)C[C@H](N[C@H]1CC2CCN(CC2)C1)C(N)=O ZINC001254848966 780609091 /nfs/dbraw/zinc/60/90/91/780609091.db2.gz ZPYNDOHQHWQMPQ-UWVGGRQHSA-N 0 3 254.334 -1.210 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)CCn1cnnn1 ZINC001278822797 780609166 /nfs/dbraw/zinc/60/91/66/780609166.db2.gz KUMXDVUYSXMJCN-VIFPVBQESA-N 0 3 274.300 -1.558 20 0 CAADHN CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001278816927 780609225 /nfs/dbraw/zinc/60/92/25/780609225.db2.gz YZFAJWJDAFYBMD-CYBMUJFWSA-N 0 3 297.359 -1.063 20 0 CAADHN CCOCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2nnc[n-]2)C1 ZINC001278816927 780609229 /nfs/dbraw/zinc/60/92/29/780609229.db2.gz YZFAJWJDAFYBMD-CYBMUJFWSA-N 0 3 297.359 -1.063 20 0 CAADHN COC[C@@H](C)NCC(=O)NCC(=O)NCC(N)=O ZINC001255566084 780616208 /nfs/dbraw/zinc/61/62/08/780616208.db2.gz AJRSWEWVEKXOTL-SSDOTTSWSA-N 0 3 260.294 -2.671 20 0 CAADHN CN(C[C@@H](O)CNCCF)C(=O)c1nccnc1C(N)=O ZINC001278834047 780611379 /nfs/dbraw/zinc/61/13/79/780611379.db2.gz ZLTZAEJGQLZUIW-QMMMGPOBSA-N 0 3 299.306 -1.433 20 0 CAADHN CN(C[C@H](O)CNCCF)C(=O)c1nccnc1C(N)=O ZINC001278834041 780611427 /nfs/dbraw/zinc/61/14/27/780611427.db2.gz ZLTZAEJGQLZUIW-MRVPVSSYSA-N 0 3 299.306 -1.433 20 0 CAADHN OC[C@H]1O[C@@H](O)[C@H](NC2CCOCC2)[C@@H](O)[C@@H]1O ZINC001255033692 780611471 /nfs/dbraw/zinc/61/14/71/780611471.db2.gz USWVQYABSKIMJH-ISUQUUIWSA-N 0 3 263.290 -2.445 20 0 CAADHN CN1CC[C@@H](NCC(=O)NCC(=O)NCC(N)=O)C1 ZINC001255428020 780613992 /nfs/dbraw/zinc/61/39/92/780613992.db2.gz VGSLDROCJUAARY-MRVPVSSYSA-N 0 3 271.321 -3.002 20 0 CAADHN CC1(C)C[C@@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CCO1 ZINC001255528366 780615106 /nfs/dbraw/zinc/61/51/06/780615106.db2.gz MOOLMAQUXQHCNQ-OJEYFTNHSA-N 0 3 291.344 -1.667 20 0 CAADHN CC1(C)C[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CCO1 ZINC001255528369 780615322 /nfs/dbraw/zinc/61/53/22/780615322.db2.gz MOOLMAQUXQHCNQ-ZKSVUJDCSA-N 0 3 291.344 -1.667 20 0 CAADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@@H](C)COC ZINC001255560121 780616547 /nfs/dbraw/zinc/61/65/47/780616547.db2.gz CYNXNNQIIWTESR-VIFPVBQESA-N 0 3 289.332 -1.594 20 0 CAADHN NC(=O)[C@H](CO)NC1CCN(c2ncccn2)CC1 ZINC001256049965 780620295 /nfs/dbraw/zinc/62/02/95/780620295.db2.gz NYFZSCQVUOBTQE-JTQLQIEISA-N 0 3 265.317 -1.119 20 0 CAADHN NC(=O)[C@@H](CO)NC1CCN(c2ncccn2)CC1 ZINC001256050615 780620426 /nfs/dbraw/zinc/62/04/26/780620426.db2.gz NYFZSCQVUOBTQE-SNVBAGLBSA-N 0 3 265.317 -1.119 20 0 CAADHN CC[C@H](C(=O)NCC1(O)CN(CCO)C1)N(C)C ZINC001278922858 780620963 /nfs/dbraw/zinc/62/09/63/780620963.db2.gz NVXDQDJTXSZBEG-SNVBAGLBSA-N 0 3 259.350 -1.518 20 0 CAADHN O=C1CCC(=O)N1CCN1CCC[C@]2(C1)NC(=O)NC2=O ZINC001256205643 780621113 /nfs/dbraw/zinc/62/11/13/780621113.db2.gz PKFOCFBQANKLSK-CYBMUJFWSA-N 0 3 294.311 -1.191 20 0 CAADHN C[C@@H](CC(=O)N1CCOCC1)NC(CO)(CO)CO ZINC001256320903 780622279 /nfs/dbraw/zinc/62/22/79/780622279.db2.gz AXPFOWJOJGKLAI-JTQLQIEISA-N 0 3 276.333 -2.071 20 0 CAADHN C[C@H](CC(=O)N1CCOCC1)N(C)S(=O)(=O)CCN ZINC001256320380 780622946 /nfs/dbraw/zinc/62/29/46/780622946.db2.gz MUHDOQZVFQIIAA-SNVBAGLBSA-N 0 3 293.389 -1.156 20 0 CAADHN COC(=O)CNC(=O)CNC1CCS(=O)(=O)CC1 ZINC001256378600 780623629 /nfs/dbraw/zinc/62/36/29/780623629.db2.gz CERUFPQADSWNCK-UHFFFAOYSA-N 0 3 278.330 -1.558 20 0 CAADHN C[C@@H](Cc1ccncc1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001256725398 780626245 /nfs/dbraw/zinc/62/62/45/780626245.db2.gz IYLLFYCHJCQFST-ZTSQDYAPSA-N 0 3 298.339 -1.598 20 0 CAADHN CCOC(=O)[C@@H]1CC[C@H](NCC(=O)NCC(N)=O)C1 ZINC001257046933 780626902 /nfs/dbraw/zinc/62/69/02/780626902.db2.gz ZAGMFFIBSADWTF-BDAKNGLRSA-N 0 3 271.317 -1.091 20 0 CAADHN CN(C)C(C)(C)CNC(=O)C(=O)N=c1nc[nH]n1C ZINC001257096681 780627442 /nfs/dbraw/zinc/62/74/42/780627442.db2.gz PDSGAGPRFOSIBQ-UHFFFAOYSA-N 0 3 268.321 -1.368 20 0 CAADHN CSCC[C@H](C)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001258205014 780631587 /nfs/dbraw/zinc/63/15/87/780631587.db2.gz DZAYEMUJAZPSED-KEWAQLPFSA-N 0 3 281.374 -1.483 20 0 CAADHN CSCC[C@@H](C)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001258205015 780631701 /nfs/dbraw/zinc/63/17/01/780631701.db2.gz DZAYEMUJAZPSED-SYWHDRQISA-N 0 3 281.374 -1.483 20 0 CAADHN CSCC[C@H](C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001258205013 780631848 /nfs/dbraw/zinc/63/18/48/780631848.db2.gz DZAYEMUJAZPSED-FHMMKVKMSA-N 0 3 281.374 -1.483 20 0 CAADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC001258266993 780632295 /nfs/dbraw/zinc/63/22/95/780632295.db2.gz OCGISWWTENDMAI-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN COC(=O)CC[C@H](C)N[C@@H](C)C(=O)NCC(N)=O ZINC001258358405 780633778 /nfs/dbraw/zinc/63/37/78/780633778.db2.gz PIFCHAYUSAZDHV-YUMQZZPRSA-N 0 3 259.306 -1.092 20 0 CAADHN COC(=O)CC[C@@H](C)N[C@@H](C)C(=O)NCC(N)=O ZINC001258358404 780634126 /nfs/dbraw/zinc/63/41/26/780634126.db2.gz PIFCHAYUSAZDHV-SFYZADRCSA-N 0 3 259.306 -1.092 20 0 CAADHN CCOC(=O)CC[C@H](C)NCC(=O)NCC(N)=O ZINC001258488088 780634145 /nfs/dbraw/zinc/63/41/45/780634145.db2.gz TUVQMSOLMKFOAC-QMMMGPOBSA-N 0 3 259.306 -1.091 20 0 CAADHN COC(=O)CS(=O)(=O)N1CCO[C@@H](CN(C)C)C1 ZINC001259020162 780636908 /nfs/dbraw/zinc/63/69/08/780636908.db2.gz HVJWWDXOGCAQTK-VIFPVBQESA-N 0 3 280.346 -1.248 20 0 CAADHN CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@H](C)N ZINC001261494296 780666376 /nfs/dbraw/zinc/66/63/76/780666376.db2.gz MCZJAIUNHJBADH-JGVFFNPUSA-N 0 3 256.306 -1.813 20 0 CAADHN Cn1cc([C@@H](O)CNC(=O)C[C@H]2CNCCO2)cn1 ZINC001261493265 780666482 /nfs/dbraw/zinc/66/64/82/780666482.db2.gz QQKDFIRMYBFNPS-QWRGUYRKSA-N 0 3 268.317 -1.052 20 0 CAADHN NC(=O)C(NC(=O)C[C@@H]1NCc2ccccc21)C(N)=O ZINC001261637082 780674946 /nfs/dbraw/zinc/67/49/46/780674946.db2.gz HGDNHUANQSIJRL-VIFPVBQESA-N 0 3 276.296 -1.324 20 0 CAADHN NC(=O)C(NC(=O)C[C@H]1NCc2ccccc21)C(N)=O ZINC001261637081 780675050 /nfs/dbraw/zinc/67/50/50/780675050.db2.gz HGDNHUANQSIJRL-SECBINFHSA-N 0 3 276.296 -1.324 20 0 CAADHN COCCN(CCF)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001261634560 780675087 /nfs/dbraw/zinc/67/50/87/780675087.db2.gz JFQZLTLJXIXVSB-JTQLQIEISA-N 0 3 291.323 -1.465 20 0 CAADHN CCOC(=O)[C@@](C)(O)CN1CCC(CO)(CO)C1 ZINC001261642760 780676268 /nfs/dbraw/zinc/67/62/68/780676268.db2.gz UGGYIEMLTVIPQM-NSHDSACASA-N 0 3 261.318 -1.023 20 0 CAADHN CN1CCN(CCCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001261661886 780676887 /nfs/dbraw/zinc/67/68/87/780676887.db2.gz CLFCUSAIJQGTCV-LLVKDONJSA-N 0 3 268.361 -1.124 20 0 CAADHN CN1CC[C@@](O)(CNC(=O)N[C@H]2CCNC2=O)C1 ZINC001261675539 780677902 /nfs/dbraw/zinc/67/79/02/780677902.db2.gz FZHYTRSFYHJQIJ-GZMMTYOYSA-N 0 3 256.306 -1.759 20 0 CAADHN CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C)C2=O)C1 ZINC001261696811 780678085 /nfs/dbraw/zinc/67/80/85/780678085.db2.gz XOEFRIXQCUGQFX-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C[C@H](CO)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001261742601 780681261 /nfs/dbraw/zinc/68/12/61/780681261.db2.gz ZOIBQNAVAHUKMJ-NXEZZACHSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001261742164 780681349 /nfs/dbraw/zinc/68/13/49/780681349.db2.gz MLRLIPRRVWTXAH-ZJUUUORDSA-N 0 3 257.334 -1.059 20 0 CAADHN CN(C)CCONC(=O)c1cc(S(N)(=O)=O)cn1C ZINC001261744921 780681516 /nfs/dbraw/zinc/68/15/16/780681516.db2.gz UFAZPFLEYIWNKY-UHFFFAOYSA-N 0 3 290.345 -1.105 20 0 CAADHN CNC(=O)NC1CCN(c2nc(N)nc(N)n2)CC1 ZINC001261791381 780683747 /nfs/dbraw/zinc/68/37/47/780683747.db2.gz OVPABNUCGFEBQX-UHFFFAOYSA-N 0 3 266.309 -1.066 20 0 CAADHN C[C@]1(C(=O)N2CCOC3(CNC3)C2)CCNC1=O ZINC001262008277 780696401 /nfs/dbraw/zinc/69/64/01/780696401.db2.gz HKYAUZASDBKGLQ-NSHDSACASA-N 0 3 253.302 -1.287 20 0 CAADHN COCCOC[C@H](O)CN(CC(N)=O)C1CCOCC1 ZINC001262021929 780697376 /nfs/dbraw/zinc/69/73/76/780697376.db2.gz WLTKADMBLPWPIX-GFCCVEGCSA-N 0 3 290.360 -1.023 20 0 CAADHN COCCOC[C@@H](O)CN(CC(N)=O)C1CCOCC1 ZINC001262021930 780697556 /nfs/dbraw/zinc/69/75/56/780697556.db2.gz WLTKADMBLPWPIX-LBPRGKRZSA-N 0 3 290.360 -1.023 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)NCCN(C)CCOCCO ZINC001262193307 780703015 /nfs/dbraw/zinc/70/30/15/780703015.db2.gz HPARUULNAPRKTC-JTQLQIEISA-N 0 3 275.349 -1.432 20 0 CAADHN CC(=O)N[C@H](C)C(=O)NCCN(C)CCOCCO ZINC001262193308 780703307 /nfs/dbraw/zinc/70/33/07/780703307.db2.gz HPARUULNAPRKTC-SNVBAGLBSA-N 0 3 275.349 -1.432 20 0 CAADHN O=C(C(=O)N1CCNCCNCC1)N1CCNC(=O)CC1 ZINC001262202718 780703893 /nfs/dbraw/zinc/70/38/93/780703893.db2.gz AJOHJPWBSKRNAL-UHFFFAOYSA-N 0 3 297.359 -2.644 20 0 CAADHN C[C@@]1(O)CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001262204332 780704019 /nfs/dbraw/zinc/70/40/19/780704019.db2.gz PQWKULSFEGOIPQ-CYBMUJFWSA-N 0 3 284.360 -2.009 20 0 CAADHN C[C@]1(O)CCN(C(=O)C(=O)N2CCNCCNCC2)C1 ZINC001262204333 780704285 /nfs/dbraw/zinc/70/42/85/780704285.db2.gz PQWKULSFEGOIPQ-ZDUSSCGKSA-N 0 3 284.360 -2.009 20 0 CAADHN Cn1nccc1S(=O)(=O)N1CCNCCNCC1 ZINC001262196124 780704535 /nfs/dbraw/zinc/70/45/35/780704535.db2.gz YLFCOJIQIYAEIY-UHFFFAOYSA-N 0 3 273.362 -1.396 20 0 CAADHN CCn1nnnc1N1CCN(CCN(C)C)C(=O)C1 ZINC001262210721 780704557 /nfs/dbraw/zinc/70/45/57/780704557.db2.gz GQFFIXJOVACUJO-UHFFFAOYSA-N 0 3 267.337 -1.097 20 0 CAADHN O=C1CCN(C[C@@H](O)C2(O)CCOCC2)CCN1 ZINC001262227779 780705532 /nfs/dbraw/zinc/70/55/32/780705532.db2.gz NBNLUSJHORRPCY-SNVBAGLBSA-N 0 3 258.318 -1.289 20 0 CAADHN CN(C[C@H](O)C[C@]1(O)CCOC1)[C@@H]1COC[C@H]1O ZINC001262305759 780706923 /nfs/dbraw/zinc/70/69/23/780706923.db2.gz UEPLJEYQTXQOFO-DDHJBXDOSA-N 0 3 261.318 -1.420 20 0 CAADHN C[C@@H](C(=O)NC(N)=O)N1CCN(C)CCN(C)CC1 ZINC001262331359 780708090 /nfs/dbraw/zinc/70/80/90/780708090.db2.gz BJVSHYHIQWWTTP-JTQLQIEISA-N 0 3 271.365 -1.251 20 0 CAADHN O=S1(=O)NC[C@@H]2CN(C[C@H]3CCOC3)CCN21 ZINC001262320351 780708151 /nfs/dbraw/zinc/70/81/51/780708151.db2.gz IIOLKRQJOYPFAD-NXEZZACHSA-N 0 3 261.347 -1.143 20 0 CAADHN C[C@H](O)[C@H](O)CN[C@H]1C(=O)NCC12CCOCC2 ZINC001262319744 780708368 /nfs/dbraw/zinc/70/83/68/780708368.db2.gz PCNFOMTYNAKLIT-AEJSXWLSSA-N 0 3 258.318 -1.387 20 0 CAADHN C[C@H](O)[C@@H](O)CN[C@H]1C(=O)NCC12CCOCC2 ZINC001262319745 780708650 /nfs/dbraw/zinc/70/86/50/780708650.db2.gz PCNFOMTYNAKLIT-GUBZILKMSA-N 0 3 258.318 -1.387 20 0 CAADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CO)CC1 ZINC001262365892 780709247 /nfs/dbraw/zinc/70/92/47/780709247.db2.gz OQIXURIKTCCNBJ-JTQLQIEISA-N 0 3 255.318 -1.081 20 0 CAADHN CC(C)(O)[C@H](N)C(=O)NCCN1CCCOCC1 ZINC001263117520 780720906 /nfs/dbraw/zinc/72/09/06/780720906.db2.gz CZPKNNSRDRCPLZ-SNVBAGLBSA-N 0 3 259.350 -1.077 20 0 CAADHN COCCCCNC(=O)C(=O)N1CCNCCNCC1 ZINC001262543895 780713789 /nfs/dbraw/zinc/71/37/89/780713789.db2.gz NSUSNJVJLASPJE-UHFFFAOYSA-N 0 3 286.376 -1.449 20 0 CAADHN CN(C)CCN(C)C(=O)C(=O)N1CCOC[C@@H]1CCO ZINC001262539664 780714116 /nfs/dbraw/zinc/71/41/16/780714116.db2.gz KKMYIJSFSOWOLM-NSHDSACASA-N 0 3 287.360 -1.384 20 0 CAADHN CC1(C)CNCCN1C(=O)CN1CCNC(=O)C1 ZINC001263062894 780718709 /nfs/dbraw/zinc/71/87/09/780718709.db2.gz GRSCSCWROHVCBE-UHFFFAOYSA-N 0 3 254.334 -1.371 20 0 CAADHN O=C(NC[C@H]1CNCCO1)[C@@H]1CSCC(=O)N1 ZINC001263128169 780720813 /nfs/dbraw/zinc/72/08/13/780720813.db2.gz GQJGNBLJYNXCQV-SFYZADRCSA-N 0 3 259.331 -1.677 20 0 CAADHN COC[C@@H](NC(=O)[C@H]1CNCCN1C)C(=O)OC ZINC001263116281 780721328 /nfs/dbraw/zinc/72/13/28/780721328.db2.gz SWYMUEFRDCUKIM-RKDXNWHRSA-N 0 3 259.306 -1.806 20 0 CAADHN COC[C@H](N)C(=O)N1CCNC[C@H]1c1nccn1C ZINC001263107702 780721703 /nfs/dbraw/zinc/72/17/03/780721703.db2.gz CVXRVQCULKKLQG-UWVGGRQHSA-N 0 3 267.333 -1.133 20 0 CAADHN Cn1cc(C(=O)C(=O)N2CCNCCNCC2)cn1 ZINC001263143749 780722368 /nfs/dbraw/zinc/72/23/68/780722368.db2.gz NKXVAAKTDQIHIQ-UHFFFAOYSA-N 0 3 265.317 -1.376 20 0 CAADHN CN1CCC[C@@H]1CNC(=O)[C@H]1CN(C)C(=O)CN1 ZINC001263166000 780722455 /nfs/dbraw/zinc/72/24/55/780722455.db2.gz RRKLSIANYLYQSM-NXEZZACHSA-N 0 3 254.334 -1.373 20 0 CAADHN O=C(Nc1cc2n(n1)CCNC2)[C@@H]1CNCCO1 ZINC001263244380 780724730 /nfs/dbraw/zinc/72/47/30/780724730.db2.gz BRYWHQVLRJJKGO-VIFPVBQESA-N 0 3 251.290 -1.087 20 0 CAADHN CC[C@H](N)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)OC ZINC001263271188 780725748 /nfs/dbraw/zinc/72/57/48/780725748.db2.gz VYRUXYHSQFPVCI-YUMQZZPRSA-N 0 3 257.290 -1.434 20 0 CAADHN CC(C)[C@H](N)C(=O)NCC(=O)N1CCNNCC1 ZINC001263316809 780726197 /nfs/dbraw/zinc/72/61/97/780726197.db2.gz DYEVKIJQEMNTRM-JTQLQIEISA-N 0 3 257.338 -1.978 20 0 CAADHN COC(=O)[C@H]1CN(C(=O)[C@@H](C)N)C[C@@H]1C(=O)OC ZINC001263265394 780726602 /nfs/dbraw/zinc/72/66/02/780726602.db2.gz JVTQNZJJAKQMLS-CSMHCCOUSA-N 0 3 258.274 -1.246 20 0 CAADHN CS(=O)(=O)C1CCN(S(=O)(=O)CCN)CC1 ZINC000381576617 780729397 /nfs/dbraw/zinc/72/93/97/780729397.db2.gz YOKPDRCIHHZMSQ-UHFFFAOYSA-N 0 3 270.376 -1.216 20 0 CAADHN O=S(=O)(CCNC[C@H](O)CO)N1CCCCC1 ZINC000383771999 780730100 /nfs/dbraw/zinc/73/01/00/780730100.db2.gz NJMLXRVONPWTBW-JTQLQIEISA-N 0 3 266.363 -1.255 20 0 CAADHN Cn1nccc1CN[C@H]1C[C@@H](CNC(=O)C(N)=O)C1 ZINC001263842491 780731472 /nfs/dbraw/zinc/73/14/72/780731472.db2.gz UYDYONARKQQEPO-DTORHVGOSA-N 0 3 265.317 -1.110 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001263825538 780731809 /nfs/dbraw/zinc/73/18/09/780731809.db2.gz ZJLSQQGPHLULTF-MNOVXSKESA-N 0 3 295.339 -1.197 20 0 CAADHN COC(=O)[C@H](O)CN1CC[C@@H](N2CCOCC2)C1 ZINC000385193597 780734226 /nfs/dbraw/zinc/73/42/26/780734226.db2.gz PNYIOKNZVGLJRH-GHMZBOCLSA-N 0 3 258.318 -1.073 20 0 CAADHN CCNC(=O)CN[C@@H]1CCCCCN(C(=O)C(N)=O)C1 ZINC001264122612 780734499 /nfs/dbraw/zinc/73/44/99/780734499.db2.gz PYHMTWKBSNYSSQ-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN COC(=O)[C@H](O)CN1CC[C@H](N2CCOCC2)C1 ZINC000385193608 780734874 /nfs/dbraw/zinc/73/48/74/780734874.db2.gz PNYIOKNZVGLJRH-WDEREUQCSA-N 0 3 258.318 -1.073 20 0 CAADHN C[C@@H]1CCN(C(=O)C(N)=O)[C@H](CNCC(=O)N(C)C)C1 ZINC001264000370 780735034 /nfs/dbraw/zinc/73/50/34/780735034.db2.gz NUDSEVWTJNTBEY-ZJUUUORDSA-N 0 3 284.360 -1.223 20 0 CAADHN C[C@H](NC[C@@H]1C[C@H](C)CCN1C(=O)CC(N)=O)C(N)=O ZINC001263984034 780735059 /nfs/dbraw/zinc/73/50/59/780735059.db2.gz JKGMSKDNJQOVSV-UTLUCORTSA-N 0 3 284.360 -1.048 20 0 CAADHN COC(=O)N1CCN(S(=O)(=O)CCN)CC1 ZINC000387060668 780735979 /nfs/dbraw/zinc/73/59/79/780735979.db2.gz VYYNDCYZIMRAQU-UHFFFAOYSA-N 0 3 251.308 -1.341 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001264871705 780740487 /nfs/dbraw/zinc/74/04/87/780740487.db2.gz CKQKPKMAQQAECX-ZJUUUORDSA-N 0 3 282.344 -1.408 20 0 CAADHN CN(CCCNC(=O)c1nnn(C)n1)[C@H]1CCCNC1=O ZINC001265023167 780741883 /nfs/dbraw/zinc/74/18/83/780741883.db2.gz XSLUMLXGUPXGGC-VIFPVBQESA-N 0 3 295.347 -1.460 20 0 CAADHN CC[N@H+](CCCNC(=O)C(N)=O)Cc1nc(=O)n(C)[n-]1 ZINC001265131262 780743074 /nfs/dbraw/zinc/74/30/74/780743074.db2.gz SYFWDJXXYFLPAS-UHFFFAOYSA-N 0 3 284.320 -2.078 20 0 CAADHN CC[N@@H+](CCCNC(=O)C(N)=O)Cc1nc(=O)n(C)[n-]1 ZINC001265131262 780743077 /nfs/dbraw/zinc/74/30/77/780743077.db2.gz SYFWDJXXYFLPAS-UHFFFAOYSA-N 0 3 284.320 -2.078 20 0 CAADHN CCN(CCCNC(=O)[C@H](C)NC(N)=O)[C@@H]1CCNC1=O ZINC001265110381 780743148 /nfs/dbraw/zinc/74/31/48/780743148.db2.gz NJJNBNMLAQPPKN-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN COC(=O)NCC(=O)N[C@H]1CCN(CCCO)C1 ZINC001265272671 780744931 /nfs/dbraw/zinc/74/49/31/780744931.db2.gz IVVGCHJYKMJFOT-VIFPVBQESA-N 0 3 259.306 -1.085 20 0 CAADHN NC(=O)CC(=O)N[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001265278046 780745633 /nfs/dbraw/zinc/74/56/33/780745633.db2.gz YYHBYJGTNXKYLR-GHMZBOCLSA-N 0 3 295.343 -1.690 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](NCC(=O)NC1CC1)C1CC1 ZINC001265350099 780748163 /nfs/dbraw/zinc/74/81/63/780748163.db2.gz LODHOHSPNMDWOI-SNVBAGLBSA-N 0 3 282.344 -1.375 20 0 CAADHN CNC(=O)CN[C@@H](CNC(=O)[C@@]1(C)CCNC1=O)C1CC1 ZINC001265369675 780748244 /nfs/dbraw/zinc/74/82/44/780748244.db2.gz BTGFSQOSOFGPNP-HZMBPMFUSA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)CN[C@H](CNC(=O)[C@@]1(C)CCNC1=O)C1CC1 ZINC001265369678 780748438 /nfs/dbraw/zinc/74/84/38/780748438.db2.gz BTGFSQOSOFGPNP-YGRLFVJLSA-N 0 3 296.371 -1.257 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](CNC(=O)CC(N)=O)C1CC1 ZINC001265349407 780748616 /nfs/dbraw/zinc/74/86/16/780748616.db2.gz CVHSWJKKGZOFDB-VXNVDRBHSA-N 0 3 270.333 -1.519 20 0 CAADHN NC(=O)CN[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001265378802 780748967 /nfs/dbraw/zinc/74/89/67/780748967.db2.gz SPFMJWFWTDZGAF-IUCAKERBSA-N 0 3 268.317 -1.765 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001265425955 780749658 /nfs/dbraw/zinc/74/96/58/780749658.db2.gz PDRYCHYZVBKPLW-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN CC[C@H](C)NC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001265424140 780750148 /nfs/dbraw/zinc/75/01/48/780750148.db2.gz JMWJSVXESPHELM-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(CN[C@H]1CCN(C(=O)[C@H]2CCNC2=O)C1)NC1CC1 ZINC001265441829 780750406 /nfs/dbraw/zinc/75/04/06/780750406.db2.gz VQOYMDHJVSBTHK-QWRGUYRKSA-N 0 3 294.355 -1.408 20 0 CAADHN CCN(C)C(=O)CN[C@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001265443837 780750439 /nfs/dbraw/zinc/75/04/39/780750439.db2.gz GOGCNGNCMPMGBN-JTQLQIEISA-N 0 3 296.371 -1.079 20 0 CAADHN NCc1cc(N2CCN(CC(N)=O)CC2)ncn1 ZINC000700810692 780750465 /nfs/dbraw/zinc/75/04/65/780750465.db2.gz FIPVIKAECJBQQH-UHFFFAOYSA-N 0 3 250.306 -1.457 20 0 CAADHN C[C@H](CNC(=O)CN1CCCC1=O)NCC(N)=O ZINC001265750859 780755164 /nfs/dbraw/zinc/75/51/64/780755164.db2.gz UFTAQMSOCXOCJP-MRVPVSSYSA-N 0 3 256.306 -1.812 20 0 CAADHN C[C@H](CNC(=O)c1cn[nH]c1)N[C@@H]1CCC(=O)NC1=O ZINC001265755067 780755239 /nfs/dbraw/zinc/75/52/39/780755239.db2.gz RFYTVJUJKCORSS-VXNVDRBHSA-N 0 3 279.300 -1.077 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001265757932 780755307 /nfs/dbraw/zinc/75/53/07/780755307.db2.gz YXKLNJAANFNYCS-RQJHMYQMSA-N 0 3 260.294 -1.690 20 0 CAADHN C[C@@H](CNC(=O)CN1CCCC1=O)NCC(N)=O ZINC001265750860 780755368 /nfs/dbraw/zinc/75/53/68/780755368.db2.gz UFTAQMSOCXOCJP-QMMMGPOBSA-N 0 3 256.306 -1.812 20 0 CAADHN C[C@@H](CNC(=O)c1cn[nH]c1)N[C@H]1CCC(=O)NC1=O ZINC001265755065 780755459 /nfs/dbraw/zinc/75/54/59/780755459.db2.gz RFYTVJUJKCORSS-CBAPKCEASA-N 0 3 279.300 -1.077 20 0 CAADHN CO[C@@H](C)C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001265757927 780755903 /nfs/dbraw/zinc/75/59/03/780755903.db2.gz YXKLNJAANFNYCS-BQBZGAKWSA-N 0 3 260.294 -1.690 20 0 CAADHN CC[C@H](NC[C@H]1CCCCN1C(=O)C(N)=O)C(N)=O ZINC001265679583 780755964 /nfs/dbraw/zinc/75/59/64/780755964.db2.gz FXQKBIFDTRQJEN-BDAKNGLRSA-N 0 3 270.333 -1.294 20 0 CAADHN C[C@H](CNC(=O)Cn1cnnn1)N[C@H]1CCC(=O)NC1=O ZINC001265750419 780755972 /nfs/dbraw/zinc/75/59/72/780755972.db2.gz LQKAXDYPTMWJQM-SFYZADRCSA-N 0 3 295.303 -2.427 20 0 CAADHN CCNC(=O)CC(=O)NC[C@H](C)N[C@H]1CCNC1=O ZINC001265768437 780756501 /nfs/dbraw/zinc/75/65/01/780756501.db2.gz BDBCWPVLFMVPJM-IUCAKERBSA-N 0 3 270.333 -1.505 20 0 CAADHN C[C@H](CNC(=O)Cc1ccn(C)n1)N[C@@H](C)C(N)=O ZINC001265773565 780756539 /nfs/dbraw/zinc/75/65/39/780756539.db2.gz YKCLUGZMLLVNQZ-BDAKNGLRSA-N 0 3 267.333 -1.069 20 0 CAADHN C[C@@H](CNC(=O)Cc1ccn(C)n1)N[C@@H](C)C(N)=O ZINC001265773567 780756711 /nfs/dbraw/zinc/75/67/11/780756711.db2.gz YKCLUGZMLLVNQZ-IUCAKERBSA-N 0 3 267.333 -1.069 20 0 CAADHN C[C@H](CNC(=O)CC(N)=O)NCc1ccnn1C ZINC001265761678 780757058 /nfs/dbraw/zinc/75/70/58/780757058.db2.gz YWWXWBATMKXFMW-MRVPVSSYSA-N 0 3 253.306 -1.110 20 0 CAADHN C[C@H](CNC(=O)c1cn(C)nn1)N[C@@H]1CCNC1=O ZINC001265770616 780757091 /nfs/dbraw/zinc/75/70/91/780757091.db2.gz GZSXQYXQVXGAHO-HTQZYQBOSA-N 0 3 266.305 -1.589 20 0 CAADHN Cc1ccc(C(=O)NC[C@@H](C)NCC(N)=O)nn1 ZINC001265773181 780757167 /nfs/dbraw/zinc/75/71/67/780757167.db2.gz QKGXTPWCQDAIRG-MRVPVSSYSA-N 0 3 251.290 -1.022 20 0 CAADHN C[C@H](CNC(=O)Cc1cnn(C)c1)NCC(N)=O ZINC001265758871 780757390 /nfs/dbraw/zinc/75/73/90/780757390.db2.gz LDINRHUGIWCPLF-MRVPVSSYSA-N 0 3 253.306 -1.458 20 0 CAADHN Cc1ccc(C(=O)NC[C@H](C)NCC(N)=O)nn1 ZINC001265773182 780757444 /nfs/dbraw/zinc/75/74/44/780757444.db2.gz QKGXTPWCQDAIRG-QMMMGPOBSA-N 0 3 251.290 -1.022 20 0 CAADHN C[C@@H](CNC(=O)c1cn(C)nn1)N[C@@H](C)C(N)=O ZINC001265771386 780757486 /nfs/dbraw/zinc/75/74/86/780757486.db2.gz UXTKJCFQJBIQNY-BQBZGAKWSA-N 0 3 254.294 -1.603 20 0 CAADHN C[C@@H](CNC(=O)c1nnn(C)n1)N[C@@H]1CCNC1=O ZINC001265811730 780757985 /nfs/dbraw/zinc/75/79/85/780757985.db2.gz WXXZAPNKQMEVRA-NKWVEPMBSA-N 0 3 267.293 -2.194 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N[C@H]1CCC(=O)NC1=O ZINC001265811438 780758178 /nfs/dbraw/zinc/75/81/78/780758178.db2.gz RDIFUJLEUPHEMC-GOVZDWNOSA-N 0 3 295.339 -1.222 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)C(C)(C)C(N)=O ZINC001265789098 780758282 /nfs/dbraw/zinc/75/82/82/780758282.db2.gz ZPQLAAUAYKTRPH-HTQZYQBOSA-N 0 3 272.349 -1.273 20 0 CAADHN CC[C@]1(C(=O)NC[C@@H](C)NCC(=O)NC)CCNC1=O ZINC001265785650 780758390 /nfs/dbraw/zinc/75/83/90/780758390.db2.gz FORIXDGNXRUEJT-RNCFNFMXSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1CCNC1=O)NCC(=O)N1CCC1 ZINC001265808600 780758619 /nfs/dbraw/zinc/75/86/19/780758619.db2.gz HEGPDKDWEPZNIH-UWVGGRQHSA-N 0 3 282.344 -1.551 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@H]1CCNC1=O ZINC001265811732 780758760 /nfs/dbraw/zinc/75/87/60/780758760.db2.gz WXXZAPNKQMEVRA-RQJHMYQMSA-N 0 3 267.293 -2.194 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1CCNC1=O ZINC001265808585 780758813 /nfs/dbraw/zinc/75/88/13/780758813.db2.gz HAYANOWMOSABRX-NXEZZACHSA-N 0 3 284.360 -1.259 20 0 CAADHN CC[C@@]1(C(=O)NC[C@@H](C)NCC(=O)NC)CCNC1=O ZINC001265785648 780758837 /nfs/dbraw/zinc/75/88/37/780758837.db2.gz FORIXDGNXRUEJT-NOZJJQNGSA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](CNC(=O)c1nnn(C)n1)N[C@@H]1CCNC1=O ZINC001265811731 780758870 /nfs/dbraw/zinc/75/88/70/780758870.db2.gz WXXZAPNKQMEVRA-RNFRBKRXSA-N 0 3 267.293 -2.194 20 0 CAADHN C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N[C@@H]1CCC(=O)NC1=O ZINC001265811437 780758888 /nfs/dbraw/zinc/75/88/88/780758888.db2.gz RDIFUJLEUPHEMC-DSPMHBFJSA-N 0 3 295.339 -1.222 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001265823839 780759526 /nfs/dbraw/zinc/75/95/26/780759526.db2.gz MVTCBPQLWAZUFG-RNJXMRFFSA-N 0 3 256.306 -2.052 20 0 CAADHN C[C@H](CNC(=O)Cc1c[nH]cn1)N[C@@H]1CCNC1=O ZINC001265830095 780760282 /nfs/dbraw/zinc/76/02/82/780760282.db2.gz NTOXFEMZHFBKBF-PSASIEDQSA-N 0 3 265.317 -1.065 20 0 CAADHN CNC(=O)CN[C@@H](C)CNC(=O)[C@]1(C)CCNC1=O ZINC001265823399 780760262 /nfs/dbraw/zinc/76/02/62/780760262.db2.gz HHUHIPRBWQEOAQ-QPUJVOFHSA-N 0 3 270.333 -1.647 20 0 CAADHN C[C@H](CNC(=O)Cc1c[nH]cn1)N[C@H]1CCNC1=O ZINC001265830096 780760339 /nfs/dbraw/zinc/76/03/39/780760339.db2.gz NTOXFEMZHFBKBF-SCZZXKLOSA-N 0 3 265.317 -1.065 20 0 CAADHN CNC(=O)CN[C@H](C)CNC(=O)[C@H]1C[C@H]1C(N)=O ZINC001265823838 780760606 /nfs/dbraw/zinc/76/06/06/780760606.db2.gz MVTCBPQLWAZUFG-PRJMDXOYSA-N 0 3 256.306 -2.052 20 0 CAADHN C[C@H](CNC(=O)c1cnn(C)n1)N[C@@H]1CCNC1=O ZINC001265839002 780761929 /nfs/dbraw/zinc/76/19/29/780761929.db2.gz WEJCSPIBWZIUBP-HTQZYQBOSA-N 0 3 266.305 -1.589 20 0 CAADHN C[C@@H](CNC(=O)c1cnon1)N[C@@H]1CCNC1=O ZINC001265841933 780762030 /nfs/dbraw/zinc/76/20/30/780762030.db2.gz ZOXGHNVVIIGGHP-NKWVEPMBSA-N 0 3 253.262 -1.334 20 0 CAADHN C[C@@H](CNC(=O)c1cnn(C)n1)N[C@H]1CCNC1=O ZINC001265839005 780762276 /nfs/dbraw/zinc/76/22/76/780762276.db2.gz WEJCSPIBWZIUBP-YUMQZZPRSA-N 0 3 266.305 -1.589 20 0 CAADHN COCCOCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)C1 ZINC001265896007 780762988 /nfs/dbraw/zinc/76/29/88/780762988.db2.gz XXJLKZHQXUTIMJ-ZJUUUORDSA-N 0 3 273.333 -1.286 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001265888574 780763065 /nfs/dbraw/zinc/76/30/65/780763065.db2.gz SILATTKBWQCXHI-VIFPVBQESA-N 0 3 251.290 -1.040 20 0 CAADHN CCN(C)CCCNC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001265893462 780763118 /nfs/dbraw/zinc/76/31/18/780763118.db2.gz IWBGBVFCCCGJQE-VIFPVBQESA-N 0 3 291.373 -1.642 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CCS(=O)(=O)N1)NCCF ZINC001265867191 780763136 /nfs/dbraw/zinc/76/31/36/780763136.db2.gz LUTBDEZUIZQEJF-SFYZADRCSA-N 0 3 267.326 -1.258 20 0 CAADHN C[C@H](CNC(=O)Cn1ccnc1)N[C@H](C)C(N)=O ZINC001265872868 780763185 /nfs/dbraw/zinc/76/31/85/780763185.db2.gz ILSLNIDQYUTWFP-RKDXNWHRSA-N 0 3 253.306 -1.149 20 0 CAADHN C[C@@H](N[C@@H](C)CNC(=O)Cn1ccnc1)C(N)=O ZINC001265872866 780763555 /nfs/dbraw/zinc/76/35/55/780763555.db2.gz ILSLNIDQYUTWFP-DTWKUNHWSA-N 0 3 253.306 -1.149 20 0 CAADHN CCCCNC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)C1 ZINC001265897134 780763643 /nfs/dbraw/zinc/76/36/43/780763643.db2.gz KLMHIZNORJRFEJ-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)C1 ZINC001265910814 780764337 /nfs/dbraw/zinc/76/43/37/780764337.db2.gz QCQRCNVIINSCOS-ZETCQYMHSA-N 0 3 257.294 -2.409 20 0 CAADHN CN(C)C(=O)CN[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001265936548 780764814 /nfs/dbraw/zinc/76/48/14/780764814.db2.gz XTFFADYBTGNDKG-QMMMGPOBSA-N 0 3 266.305 -1.303 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H]1CCCCN1C(=O)C(N)=O ZINC001266003249 780765795 /nfs/dbraw/zinc/76/57/95/780765795.db2.gz YJTSFHJTHNSZBG-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN CCN(CCCNC(=O)Cn1cnnn1)[C@H](C)C(=O)NC ZINC001266017741 780767084 /nfs/dbraw/zinc/76/70/84/780767084.db2.gz WWCTULLFWVUAHF-SNVBAGLBSA-N 0 3 297.363 -1.364 20 0 CAADHN CCN(CCCNC(=O)Cn1cnnn1)[C@@H](C)C(=O)NC ZINC001266017739 780767666 /nfs/dbraw/zinc/76/76/66/780767666.db2.gz WWCTULLFWVUAHF-JTQLQIEISA-N 0 3 297.363 -1.364 20 0 CAADHN CCN1CCC[C@@](CO)(NC(=O)C[C@@H]2NC(=O)NC2=O)C1 ZINC001279490295 780773942 /nfs/dbraw/zinc/77/39/42/780773942.db2.gz LPBJKSODBSDTAV-TVQRCGJNSA-N 0 3 298.343 -1.453 20 0 CAADHN CN(CCOCCNCC(N)=O)C(=O)c1cccnn1 ZINC001279450477 780774005 /nfs/dbraw/zinc/77/40/05/780774005.db2.gz PUIBOCCRVCIGCW-UHFFFAOYSA-N 0 3 281.316 -1.360 20 0 CAADHN CO[C@H](C)C(=O)N(C)CCOCCN[C@@H]1CCNC1=O ZINC001279393365 780774103 /nfs/dbraw/zinc/77/41/03/780774103.db2.gz RZYPKEATNBNLQJ-GHMZBOCLSA-N 0 3 287.360 -1.026 20 0 CAADHN COCCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001281795813 780807489 /nfs/dbraw/zinc/80/74/89/780807489.db2.gz DWIXTSUMHYVPSY-UHFFFAOYSA-N 0 3 260.334 -1.042 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)CC(F)(F)F ZINC001279666657 780774594 /nfs/dbraw/zinc/77/45/94/780774594.db2.gz KTJIAAZRRGEDQJ-UHFFFAOYSA-N 0 3 271.239 -1.165 20 0 CAADHN C[C@H](NCCN(CCO)C(=O)C(F)F)C(N)=O ZINC001279630815 780774857 /nfs/dbraw/zinc/77/48/57/780774857.db2.gz LRNSHDUVRADHNR-LURJTMIESA-N 0 3 253.249 -1.464 20 0 CAADHN Cc1cncc(C(=O)N(CCO)CCNCC(N)=O)c1 ZINC001279681128 780774898 /nfs/dbraw/zinc/77/48/98/780774898.db2.gz ZSWSMJIRXCCPTD-UHFFFAOYSA-N 0 3 280.328 -1.101 20 0 CAADHN C[C@@H](NCCN(CCO)C(=O)C(F)F)C(N)=O ZINC001279630816 780775227 /nfs/dbraw/zinc/77/52/27/780775227.db2.gz LRNSHDUVRADHNR-ZCFIWIBFSA-N 0 3 253.249 -1.464 20 0 CAADHN CCNC(=O)CNCCN(CCO)C(=O)c1c[nH]c(C)n1 ZINC001279672743 780775238 /nfs/dbraw/zinc/77/52/38/780775238.db2.gz MBLSBIKOOYONEV-UHFFFAOYSA-N 0 3 297.359 -1.122 20 0 CAADHN CC(=O)N(CCO)CCNCC(=O)NC1CCOCC1 ZINC001279630524 780775333 /nfs/dbraw/zinc/77/53/33/780775333.db2.gz DKPTVNJIUKMEFL-UHFFFAOYSA-N 0 3 287.360 -1.288 20 0 CAADHN CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)CC(N)=O ZINC001282115596 780812073 /nfs/dbraw/zinc/81/20/73/780812073.db2.gz WRVOYYUIHRTYOU-YUMQZZPRSA-N 0 3 258.322 -1.519 20 0 CAADHN COC[C@H](O)CN1CC[C@H]2[C@H]1CCCN2C(=O)C(N)=O ZINC001279576661 780775532 /nfs/dbraw/zinc/77/55/32/780775532.db2.gz OYYLUSXFIIEFKI-MXWKQRLJSA-N 0 3 285.344 -1.456 20 0 CAADHN Cc1[nH]ccc1C(=O)N(CCO)CCNCC(N)=O ZINC001279687266 780775636 /nfs/dbraw/zinc/77/56/36/780775636.db2.gz RATGWETWWOYTKX-UHFFFAOYSA-N 0 3 268.317 -1.167 20 0 CAADHN NC(=O)CNCCN(CCO)C(=O)c1ccc(F)cn1 ZINC001279695172 780775740 /nfs/dbraw/zinc/77/57/40/780775740.db2.gz KOCRJUADMPDFCK-UHFFFAOYSA-N 0 3 284.291 -1.270 20 0 CAADHN CO[C@H](C)C(=O)N(CCO)CCNCC(=O)NC(N)=O ZINC001279667418 780775789 /nfs/dbraw/zinc/77/57/89/780775789.db2.gz PGOMAIZYASGYLE-MRVPVSSYSA-N 0 3 290.320 -2.373 20 0 CAADHN CNC(=O)CNCCN(CCO)C(=O)c1cocn1 ZINC001279672030 780775829 /nfs/dbraw/zinc/77/58/29/780775829.db2.gz AIKSQGXJTUADPQ-UHFFFAOYSA-N 0 3 270.289 -1.555 20 0 CAADHN CC[C@@H](C(=O)NC1CC(CNC(=O)C(N)=O)C1)N(C)C ZINC001280123571 780779163 /nfs/dbraw/zinc/77/91/63/780779163.db2.gz IXEDNBFKVWFEDI-RTBKNWGFSA-N 0 3 284.360 -1.177 20 0 CAADHN CC[C@H](C(=O)NC1CC(CNC(=O)C(N)=O)C1)N(C)C ZINC001280042293 780779202 /nfs/dbraw/zinc/77/92/02/780779202.db2.gz IXEDNBFKVWFEDI-UDNWOFFPSA-N 0 3 284.360 -1.177 20 0 CAADHN CS(=O)(=O)CCNC1(CNC(=O)CC(N)=O)CCC1 ZINC001280473631 780781939 /nfs/dbraw/zinc/78/19/39/780781939.db2.gz ZCDZXWKQGIMTJH-UHFFFAOYSA-N 0 3 291.373 -1.465 20 0 CAADHN CS(=O)(=O)NCCNC1(CNC(=O)C(N)=O)CCC1 ZINC001280502451 780783176 /nfs/dbraw/zinc/78/31/76/780783176.db2.gz PGCQBKBBAGMESD-UHFFFAOYSA-N 0 3 292.361 -2.351 20 0 CAADHN CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)CC(N)=O)CCO1 ZINC001280571089 780783821 /nfs/dbraw/zinc/78/38/21/780783821.db2.gz RNKIUERFZAAVHN-BDAKNGLRSA-N 0 3 286.332 -2.187 20 0 CAADHN CCCNC(=O)CNC[C@@H]1CN(C(=O)C(N)=O)CCO1 ZINC001280632773 780785111 /nfs/dbraw/zinc/78/51/11/780785111.db2.gz ZVFMHKHSXPKTGL-SECBINFHSA-N 0 3 286.332 -2.185 20 0 CAADHN NC(=O)CNC[C@@H]1CN(C(=O)c2cnco2)CCO1 ZINC001280621506 780785198 /nfs/dbraw/zinc/78/51/98/780785198.db2.gz SRCNBDJEHROEKP-MRVPVSSYSA-N 0 3 268.273 -1.410 20 0 CAADHN CCCN(C)CC(=O)N1CC([C@@H](C)NC(=O)C(N)=O)C1 ZINC001280648900 780785226 /nfs/dbraw/zinc/78/52/26/780785226.db2.gz MHANDJIKXCBWIV-SECBINFHSA-N 0 3 284.360 -1.223 20 0 CAADHN O=C([C@H]1COC(=O)N1)N1CCO[C@@H](CNCCF)C1 ZINC001280579786 780785235 /nfs/dbraw/zinc/78/52/35/780785235.db2.gz CBBZWACFMYBLSC-DTWKUNHWSA-N 0 3 275.280 -1.119 20 0 CAADHN O=C(CCn1cnnn1)N1CCO[C@@H](CNCCF)C1 ZINC001280650827 780786510 /nfs/dbraw/zinc/78/65/10/780786510.db2.gz ZWLJCNMKHJSSRR-JTQLQIEISA-N 0 3 286.311 -1.150 20 0 CAADHN CC[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)C(N)=O)C1)N(C)C ZINC001280772547 780787571 /nfs/dbraw/zinc/78/75/71/780787571.db2.gz IQVZHMFJSKWWSA-GUBZILKMSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H](CN(C)C(=O)C(N)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001281043902 780790265 /nfs/dbraw/zinc/79/02/65/780790265.db2.gz AOPOYRRDTXIAPU-VHSXEESVSA-N 0 3 284.360 -1.223 20 0 CAADHN CC[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)C(N)=O)N(C)C ZINC001281045339 780790548 /nfs/dbraw/zinc/79/05/48/780790548.db2.gz TVSPFVUKKDAQDU-IUCAKERBSA-N 0 3 272.349 -1.225 20 0 CAADHN CC(C)[C@H](C(=O)NC[C@@H](CO)NC(=O)C(N)=O)N(C)C ZINC001281097229 780793780 /nfs/dbraw/zinc/79/37/80/780793780.db2.gz AEOYJIZCCCGTJT-DTWKUNHWSA-N 0 3 288.348 -2.349 20 0 CAADHN CCCN(C)CC(=O)NC[C@@H](CO)NC(=O)C(N)=O ZINC001281100149 780794848 /nfs/dbraw/zinc/79/48/48/780794848.db2.gz OYVFZAOQDBVRNE-QMMMGPOBSA-N 0 3 274.321 -2.593 20 0 CAADHN COC[C@H](O)CN[C@]1(CO)CCCN(C(=O)C(N)=O)C1 ZINC001281162704 780798361 /nfs/dbraw/zinc/79/83/61/780798361.db2.gz JEILQBIAGJFYJC-BXKDBHETSA-N 0 3 289.332 -2.578 20 0 CAADHN CC(C)N(C)CC(=O)N(C)C[C@H](O)CNC(=O)C(N)=O ZINC001281256150 780799492 /nfs/dbraw/zinc/79/94/92/780799492.db2.gz IAPVCIQOZINBIV-SECBINFHSA-N 0 3 288.348 -2.253 20 0 CAADHN COCCOCC(=O)N1C[C@H](C)[C@H](NCC(N)=O)C1 ZINC001281389152 780801962 /nfs/dbraw/zinc/80/19/62/780801962.db2.gz VSGPLDQLCLARRI-VHSXEESVSA-N 0 3 273.333 -1.429 20 0 CAADHN C[C@H]1CN(C(=O)CC(N)=O)C[C@@H]1NCCS(C)(=O)=O ZINC001281388357 780802245 /nfs/dbraw/zinc/80/22/45/780802245.db2.gz PTASMLMUKXGAAA-IUCAKERBSA-N 0 3 291.373 -1.657 20 0 CAADHN CC(C)N(C)CC(=O)N1C[C@@H]2CCN(C(=O)C(N)=O)[C@@H]2C1 ZINC001281630748 780803721 /nfs/dbraw/zinc/80/37/21/780803721.db2.gz OXLNJOAKEXGGOU-WDEREUQCSA-N 0 3 296.371 -1.129 20 0 CAADHN COc1nccc(CN[C@@H](C)CCNC(=O)C(N)=O)n1 ZINC001281745311 780806436 /nfs/dbraw/zinc/80/64/36/780806436.db2.gz UCHFIIKMUUFQEB-QMMMGPOBSA-N 0 3 281.316 -1.045 20 0 CAADHN C[C@H](O)CN1CCC(CO)(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001281806930 780806607 /nfs/dbraw/zinc/80/66/07/780806607.db2.gz ZQEDDJVBLROCHM-QWRGUYRKSA-N 0 3 299.371 -1.554 20 0 CAADHN C[C@@H](O)CN1CCC(CO)(NC(=O)[C@H]2CCNC2=O)CC1 ZINC001281806929 780807239 /nfs/dbraw/zinc/80/72/39/780807239.db2.gz ZQEDDJVBLROCHM-MNOVXSKESA-N 0 3 299.371 -1.554 20 0 CAADHN CN(CCOCCO)C[C@H]1CCCN1C(=O)C(N)=O ZINC001281957832 780809689 /nfs/dbraw/zinc/80/96/89/780809689.db2.gz VEHOZTDWOBTEKK-SNVBAGLBSA-N 0 3 273.333 -1.597 20 0 CAADHN CCCN(C)CC(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001281925896 780810177 /nfs/dbraw/zinc/81/01/77/780810177.db2.gz HKRQVKHHFSUDGC-BDAKNGLRSA-N 0 3 286.332 -2.499 20 0 CAADHN C[C@@H](NC(=O)c1c[nH]c(=O)n1C)[C@H](C)NCC(N)=O ZINC001282168859 780811816 /nfs/dbraw/zinc/81/18/16/780811816.db2.gz SJVPVYDKLFFNAQ-NKWVEPMBSA-N 0 3 269.305 -1.293 20 0 CAADHN C[C@@H](NCC(=O)N(C)C1CC1)[C@@H](C)NC(=O)C(N)=O ZINC001282186611 780812047 /nfs/dbraw/zinc/81/20/47/780812047.db2.gz WANYJKWESBXDBY-HTQZYQBOSA-N 0 3 270.333 -1.425 20 0 CAADHN CC(C)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)CC(N)=O ZINC001282116513 780812146 /nfs/dbraw/zinc/81/21/46/780812146.db2.gz ZECQGDBZSMCOKH-IUCAKERBSA-N 0 3 272.349 -1.131 20 0 CAADHN C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@H](C)NCC(=O)N(C)C ZINC001282184956 780812292 /nfs/dbraw/zinc/81/22/92/780812292.db2.gz LDKPKHRPDWZENM-DTWKUNHWSA-N 0 3 284.360 -1.177 20 0 CAADHN CC[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)C(N)=O)C1)N(C)C ZINC001282091602 780812509 /nfs/dbraw/zinc/81/25/09/780812509.db2.gz IQVZHMFJSKWWSA-AEJSXWLSSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cc[n+]([O-])cc1 ZINC001282089385 780812565 /nfs/dbraw/zinc/81/25/65/780812565.db2.gz YPDREDDWZSZRTL-RKDXNWHRSA-N 0 3 266.301 -1.098 20 0 CAADHN C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](CNC(=O)C(N)=O)C2)C1 ZINC001282088234 780813075 /nfs/dbraw/zinc/81/30/75/780813075.db2.gz SOKMFKLBMFKAQS-MXWKQRLJSA-N 0 3 296.371 -1.176 20 0 CAADHN COCCN(C)[C@@H](C)CNC(=O)Cn1cnnn1 ZINC001282353128 780813828 /nfs/dbraw/zinc/81/38/28/780813828.db2.gz BGVVBVRSUSYDIR-VIFPVBQESA-N 0 3 256.310 -1.244 20 0 CAADHN C[C@@H](NCC(N)=O)[C@H](C)NC(=O)Cc1cncn1C ZINC001282220323 780813892 /nfs/dbraw/zinc/81/38/92/780813892.db2.gz PFCFIFUDRWSHAF-BDAKNGLRSA-N 0 3 267.333 -1.069 20 0 CAADHN CNC(=O)CN[C@H](C)[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001282227777 780814116 /nfs/dbraw/zinc/81/41/16/780814116.db2.gz JQDUMLFORKGILT-SFYZADRCSA-N 0 3 299.331 -2.233 20 0 CAADHN C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)CN1C(=O)CCC1=O ZINC001282231182 780814362 /nfs/dbraw/zinc/81/43/62/780814362.db2.gz VLNXDRFBIFHMIH-HTQZYQBOSA-N 0 3 284.316 -1.897 20 0 CAADHN Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H](C)NCC(N)=O)no1 ZINC001282227044 780814799 /nfs/dbraw/zinc/81/47/99/780814799.db2.gz FJCSXFKCDPTQLH-YUMQZZPRSA-N 0 3 297.315 -1.110 20 0 CAADHN Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)NCC(N)=O)no1 ZINC001282227040 780815338 /nfs/dbraw/zinc/81/53/38/780815338.db2.gz FJCSXFKCDPTQLH-HTQZYQBOSA-N 0 3 297.315 -1.110 20 0 CAADHN COCCN(C)[C@H](C)CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001282402566 780816301 /nfs/dbraw/zinc/81/63/01/780816301.db2.gz OJMMJMWJDUJRCT-BDAKNGLRSA-N 0 3 286.332 -1.333 20 0 CAADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)N(C)CCO ZINC001282397282 780816375 /nfs/dbraw/zinc/81/63/75/780816375.db2.gz CMMWTHPTUJZSEQ-NXEZZACHSA-N 0 3 257.334 -1.107 20 0 CAADHN CC(C)COC[C@H](O)CN(C)[C@H](C)CNC(=O)C(N)=O ZINC001282448469 780816921 /nfs/dbraw/zinc/81/69/21/780816921.db2.gz CAVHPOLUVOYTJH-GHMZBOCLSA-N 0 3 289.376 -1.058 20 0 CAADHN Cn1cc(CN2C[C@@H]3[C@@H](CNC(=O)C(N)=O)[C@@H]3C2)cn1 ZINC001282875518 780824866 /nfs/dbraw/zinc/82/48/66/780824866.db2.gz RUOMEXPOOMQHLX-RTCCRHLQSA-N 0 3 277.328 -1.301 20 0 CAADHN CC(=O)N1CCO[C@@H]([C@H](C)NCCNS(C)(=O)=O)C1 ZINC001282895612 780826768 /nfs/dbraw/zinc/82/67/68/780826768.db2.gz OIDFONMYEADRQR-GXSJLCMTSA-N 0 3 293.389 -1.239 20 0 CAADHN CC(=O)N1CCO[C@H]([C@H](C)NCCNS(C)(=O)=O)C1 ZINC001282895615 780827164 /nfs/dbraw/zinc/82/71/64/780827164.db2.gz OIDFONMYEADRQR-ONGXEEELSA-N 0 3 293.389 -1.239 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)Cn1cnnn1)N(C)C ZINC001282905067 780828324 /nfs/dbraw/zinc/82/83/24/780828324.db2.gz LUUWKVFKPPSOOY-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN COC(=O)NCC(=O)NCCNC(=O)Cc1nc[nH]c1C ZINC001282928754 780830620 /nfs/dbraw/zinc/83/06/20/780830620.db2.gz YNZCWQJTRAGIJJ-UHFFFAOYSA-N 0 3 297.315 -1.151 20 0 CAADHN CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1CCNC1=O ZINC001283068114 780842093 /nfs/dbraw/zinc/84/20/93/780842093.db2.gz UZOCZFOLIJBSMC-JTQLQIEISA-N 0 3 284.360 -1.305 20 0 CAADHN CC[C@@H](C(=O)NCCNC(=O)[C@@H]1CN(C)C(=O)N1)N(C)C ZINC001283138991 780844560 /nfs/dbraw/zinc/84/45/60/780844560.db2.gz OSPIBDVIVACYPR-UWVGGRQHSA-N 0 3 299.375 -1.417 20 0 CAADHN C[C@H]1CCN(CC(=O)NCCNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001283159410 780845650 /nfs/dbraw/zinc/84/56/50/780845650.db2.gz ARKBNNGBBOAFKU-AXFHLTTASA-N 0 3 296.371 -1.318 20 0 CAADHN C[C@@H]1CCN(CC(=O)NCCNC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001283153983 780846316 /nfs/dbraw/zinc/84/63/16/780846316.db2.gz SKWYQYIOHDBNRI-ZJUUUORDSA-N 0 3 297.359 -1.758 20 0 CAADHN CC[C@@H](C(=O)NCCCNC(=O)CC(N)=O)N(C)C ZINC001283209886 780846989 /nfs/dbraw/zinc/84/69/89/780846989.db2.gz KQCPVECEZDOJFK-VIFPVBQESA-N 0 3 272.349 -1.176 20 0 CAADHN CC[C@H](C(=O)NCCCNC(=O)[C@@H]1CNC(=O)N1)N(C)C ZINC001283288033 780848985 /nfs/dbraw/zinc/84/89/85/780848985.db2.gz SIZMGVYCYAFKTA-VHSXEESVSA-N 0 3 299.375 -1.370 20 0 CAADHN C[C@@H]1CCCN1CC(=O)NCCCNC(=O)C(N)=O ZINC001283317965 780849712 /nfs/dbraw/zinc/84/97/12/780849712.db2.gz KYXBKGMVCMMONT-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@@H](CN(C)C(=O)CC(N)=O)N[C@H]1CCCNC1=O ZINC001283593108 780854122 /nfs/dbraw/zinc/85/41/22/780854122.db2.gz YNHIGIGXSQFIGT-IUCAKERBSA-N 0 3 270.333 -1.423 20 0 CAADHN CN(C)C1(C(=O)NCCCN(C)C(=O)C(N)=O)CCC1 ZINC001283570470 780854388 /nfs/dbraw/zinc/85/43/88/780854388.db2.gz JJIMRMDSALIGIQ-UHFFFAOYSA-N 0 3 284.360 -1.079 20 0 CAADHN C[C@H](CN(C)C(=O)CC(N)=O)N[C@H]1CCCNC1=O ZINC001283593106 780854551 /nfs/dbraw/zinc/85/45/51/780854551.db2.gz YNHIGIGXSQFIGT-BDAKNGLRSA-N 0 3 270.333 -1.423 20 0 CAADHN C[C@@H](CN(C)C(=O)CC(N)=O)N[C@@H]1CCCNC1=O ZINC001283593107 780854848 /nfs/dbraw/zinc/85/48/48/780854848.db2.gz YNHIGIGXSQFIGT-DTWKUNHWSA-N 0 3 270.333 -1.423 20 0 CAADHN CN(C(=O)[C@H]1CCNC1=O)[C@@H](CNCC(N)=O)C1CC1 ZINC001283522645 780854949 /nfs/dbraw/zinc/85/49/49/780854949.db2.gz ZDYZWHHIHUZHBO-UWVGGRQHSA-N 0 3 282.344 -1.566 20 0 CAADHN CC(C)NC(=O)CN[C@H](C)CN(C)C(=O)CC(N)=O ZINC001283592456 780854961 /nfs/dbraw/zinc/85/49/61/780854961.db2.gz USOFIISPGQBHGN-SECBINFHSA-N 0 3 272.349 -1.177 20 0 CAADHN CCN1CC[C@H](N[C@H](C)CN(C)C(=O)CC(N)=O)C1=O ZINC001283593141 780854976 /nfs/dbraw/zinc/85/49/76/780854976.db2.gz ZCMNZYNOGBYCRO-ZJUUUORDSA-N 0 3 284.360 -1.081 20 0 CAADHN COCCOCC(=O)N(C)C[C@H](C)N[C@H]1CCNC1=O ZINC001283591034 780855094 /nfs/dbraw/zinc/85/50/94/780855094.db2.gz GTMFVXOPNDJZPR-QWRGUYRKSA-N 0 3 287.360 -1.026 20 0 CAADHN C[C@H](CN(C)C(=O)c1cn(C)nn1)NCC(N)=O ZINC001283605545 780855170 /nfs/dbraw/zinc/85/51/70/780855170.db2.gz GFDOOFHXBVRYHY-SSDOTTSWSA-N 0 3 254.294 -1.650 20 0 CAADHN C[C@H](CN(C)C(=O)C[C@@H]1NC(=O)NC1=O)NCC(N)=O ZINC001283617947 780856157 /nfs/dbraw/zinc/85/61/57/780856157.db2.gz NQVXUQWLHJLASV-RQJHMYQMSA-N 0 3 285.304 -2.494 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)C(C)(C)C(N)=O ZINC001283618261 780856258 /nfs/dbraw/zinc/85/62/58/780856258.db2.gz QSOYLYOKFOHOIZ-QMMMGPOBSA-N 0 3 272.349 -1.320 20 0 CAADHN CNC(=O)CN[C@@H](C)CN(C)C(=O)[C@]1(C)CCNC1=O ZINC001283677258 780856880 /nfs/dbraw/zinc/85/68/80/780856880.db2.gz IRZUWJRLNOPRIU-TVQRCGJNSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)C1(C(N)=O)CC1 ZINC001283665137 780857172 /nfs/dbraw/zinc/85/71/72/780857172.db2.gz RUPAAZMAPTZNQM-IUCAKERBSA-N 0 3 284.360 -1.177 20 0 CAADHN CC(=O)NC[C@@H](CO)NC[C@@H]1CCS(=O)(=O)C1 ZINC001283722315 780857362 /nfs/dbraw/zinc/85/73/62/780857362.db2.gz GHOLCNSXSNBWRU-UWVGGRQHSA-N 0 3 264.347 -1.492 20 0 CAADHN NC(=O)CC(=O)NC[C@H](CO)NCCn1cncn1 ZINC001283747581 780861490 /nfs/dbraw/zinc/86/14/90/780861490.db2.gz WQPDMQGGMZCHCG-MRVPVSSYSA-N 0 3 270.293 -2.780 20 0 CAADHN NC(=O)CC(=O)NC[C@@H](CO)NCCn1cncn1 ZINC001283747594 780862233 /nfs/dbraw/zinc/86/22/33/780862233.db2.gz WQPDMQGGMZCHCG-QMMMGPOBSA-N 0 3 270.293 -2.780 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H]1CCC(=O)N1)C(=O)N(C)C ZINC001135218506 781351511 /nfs/dbraw/zinc/35/15/11/781351511.db2.gz HYYRHHWKRPNMDS-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001135218319 781351662 /nfs/dbraw/zinc/35/16/62/781351662.db2.gz GRIKWMNRVXINFD-DTWKUNHWSA-N 0 3 296.327 -1.834 20 0 CAADHN CC(=O)NC1(C(=O)NCCNCC(N)=O)CCCC1 ZINC001135201897 781351722 /nfs/dbraw/zinc/35/17/22/781351722.db2.gz SWVFDRNIFDSRSB-UHFFFAOYSA-N 0 3 270.333 -1.374 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135218754 781351737 /nfs/dbraw/zinc/35/17/37/781351737.db2.gz LDZMBDDGRVGCNT-JTQLQIEISA-N 0 3 284.360 -1.115 20 0 CAADHN CC(=O)N1CCCC[C@@H]1CC(=O)NCCNCC(N)=O ZINC001135201497 781351796 /nfs/dbraw/zinc/35/17/96/781351796.db2.gz DADHYTCTXPEBNR-LLVKDONJSA-N 0 3 284.360 -1.031 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135218060 781352107 /nfs/dbraw/zinc/35/21/07/781352107.db2.gz CYJCLQMXLKPCPC-RKDXNWHRSA-N 0 3 270.333 -1.505 20 0 CAADHN CCCNC(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135219081 781352305 /nfs/dbraw/zinc/35/23/05/781352305.db2.gz NRAWXXCNHFFORR-SNVBAGLBSA-N 0 3 284.360 -1.113 20 0 CAADHN CNC(=O)CNCCNC(=O)C1(NC(C)=O)CCCC1 ZINC001135199966 781352535 /nfs/dbraw/zinc/35/25/35/781352535.db2.gz PGQIDFXEYDEKRC-UHFFFAOYSA-N 0 3 284.360 -1.113 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCC(=O)N1)C(=O)N(C)C ZINC001135218508 781352735 /nfs/dbraw/zinc/35/27/35/781352735.db2.gz HYYRHHWKRPNMDS-VHSXEESVSA-N 0 3 284.360 -1.162 20 0 CAADHN CC[C@@H](NCCNC(=O)CCCS(C)(=O)=O)C(N)=O ZINC001135209703 781352761 /nfs/dbraw/zinc/35/27/61/781352761.db2.gz WKXPFWGHJMEFGM-SECBINFHSA-N 0 3 293.389 -1.219 20 0 CAADHN C[C@H](NCCNC(=O)C[C@H]1CCC(=O)N1)C(N)=O ZINC001135219819 781352791 /nfs/dbraw/zinc/35/27/91/781352791.db2.gz UAMCNZKTJCXGNK-JGVFFNPUSA-N 0 3 256.306 -1.765 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCC(=O)N1)C(=O)N(C)C ZINC001135218507 781352809 /nfs/dbraw/zinc/35/28/09/781352809.db2.gz HYYRHHWKRPNMDS-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135219671 781352982 /nfs/dbraw/zinc/35/29/82/781352982.db2.gz SJMSGSGZUSWIPF-VIFPVBQESA-N 0 3 270.333 -1.551 20 0 CAADHN NC(=O)CNCCNC(=O)CCNC(=O)C1CCC1 ZINC001135194165 781353126 /nfs/dbraw/zinc/35/31/26/781353126.db2.gz JMRVERZQGIVBJG-UHFFFAOYSA-N 0 3 270.333 -1.516 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)C[C@H]2CCC(=O)N2)C1=O ZINC001135218743 781353147 /nfs/dbraw/zinc/35/31/47/781353147.db2.gz LCASYTUQPUXFCT-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135218755 781353209 /nfs/dbraw/zinc/35/32/09/781353209.db2.gz LDZMBDDGRVGCNT-SNVBAGLBSA-N 0 3 284.360 -1.115 20 0 CAADHN C[C@H](NCCNC(=O)C[C@@H]1CCC(=O)N1)C(N)=O ZINC001135219821 781353229 /nfs/dbraw/zinc/35/32/29/781353229.db2.gz UAMCNZKTJCXGNK-YUMQZZPRSA-N 0 3 256.306 -1.765 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)C[C@H]1CCC(=O)N1 ZINC001135220525 781353541 /nfs/dbraw/zinc/35/35/41/781353541.db2.gz YRCVZVXFPVOTOW-MRVPVSSYSA-N 0 3 299.331 -2.184 20 0 CAADHN NC(=O)CNCCNC(=O)c1csc(-c2nc[nH]n2)n1 ZINC001135231960 781353610 /nfs/dbraw/zinc/35/36/10/781353610.db2.gz RYPHWQYOZRMGQP-UHFFFAOYSA-N 0 3 295.328 -1.267 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NCCNCC(=O)N1CCC1 ZINC001135223438 781353657 /nfs/dbraw/zinc/35/36/57/781353657.db2.gz RSQJSJRDLOKUEF-SNVBAGLBSA-N 0 3 282.344 -1.407 20 0 CAADHN O=C(C[C@H]1CCC(=O)N1)NCCN[C@H]1CCCNC1=O ZINC001135219863 781353691 /nfs/dbraw/zinc/35/36/91/781353691.db2.gz URHPBDAEZNEJJP-ZJUUUORDSA-N 0 3 282.344 -1.361 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135223643 781353903 /nfs/dbraw/zinc/35/39/03/781353903.db2.gz WCKFDAGYRFEENH-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)N(C)C2CC2)CC1 ZINC001135258376 781354087 /nfs/dbraw/zinc/35/40/87/781354087.db2.gz GKWFTKOUQWYGLE-UHFFFAOYSA-N 0 3 296.371 -1.161 20 0 CAADHN O=C(C[C@@H]1CCC(=O)N1)NCCNCC(=O)N1CCC1 ZINC001135223437 781354148 /nfs/dbraw/zinc/35/41/48/781354148.db2.gz RSQJSJRDLOKUEF-JTQLQIEISA-N 0 3 282.344 -1.407 20 0 CAADHN CC[C@@H](NCCNC(=O)C[C@@H]1CCC(=O)N1)C(N)=O ZINC001135223236 781354177 /nfs/dbraw/zinc/35/41/77/781354177.db2.gz PNRXSCMXXPMDAW-DTWKUNHWSA-N 0 3 270.333 -1.375 20 0 CAADHN C[C@@H](NCCNC(=O)c1ccc2nncn2c1)C(N)=O ZINC001135247411 781354382 /nfs/dbraw/zinc/35/43/82/781354382.db2.gz LYIORJVIORHXLW-MRVPVSSYSA-N 0 3 276.300 -1.078 20 0 CAADHN CC[C@H](NCCNC(=O)C[C@H]1CCC(=O)N1)C(N)=O ZINC001135223235 781354415 /nfs/dbraw/zinc/35/44/15/781354415.db2.gz PNRXSCMXXPMDAW-BDAKNGLRSA-N 0 3 270.333 -1.375 20 0 CAADHN CCNC(=O)CNCCNC(=O)C[C@@H]1CCC(=O)N1 ZINC001135219866 781354447 /nfs/dbraw/zinc/35/44/47/781354447.db2.gz UUEMYCMHTNMHPQ-VIFPVBQESA-N 0 3 270.333 -1.503 20 0 CAADHN O=C(CNCCNC(=O)C[C@H]1CCC(=O)N1)NC1CC1 ZINC001135220121 781354733 /nfs/dbraw/zinc/35/47/33/781354733.db2.gz WBPZLOOCSMXJPJ-SNVBAGLBSA-N 0 3 282.344 -1.361 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)N2CCCC2)CC1 ZINC001135259162 781354885 /nfs/dbraw/zinc/35/48/85/781354885.db2.gz VJKMDEKXDILMBI-UHFFFAOYSA-N 0 3 296.371 -1.159 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)C[C@@H]2CCC(=O)N2)C1=O ZINC001135220158 781354919 /nfs/dbraw/zinc/35/49/19/781354919.db2.gz WSCQBALVCSYYAE-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)C1(C(=O)NCCNCC(=O)NCC2CC2)CC1 ZINC001135258808 781355158 /nfs/dbraw/zinc/35/51/58/781355158.db2.gz OMDINNVRTJJFBD-UHFFFAOYSA-N 0 3 296.371 -1.255 20 0 CAADHN C[C@H](NCCNC(=O)C1CC(=O)NC(=O)C1)C(=O)N(C)C ZINC001135273134 781355690 /nfs/dbraw/zinc/35/56/90/781355690.db2.gz JIMPMRIHFZZCOG-QMMMGPOBSA-N 0 3 298.343 -1.778 20 0 CAADHN CC[C@H](NCCNC(=O)C1CC(=O)NC(=O)C1)C(N)=O ZINC001135273548 781355879 /nfs/dbraw/zinc/35/58/79/781355879.db2.gz SMXRJDGKQVVRMG-QMMMGPOBSA-N 0 3 284.316 -1.991 20 0 CAADHN CC[C@@H](NCCNC(=O)C1CC(=O)NC(=O)C1)C(N)=O ZINC001135273547 781355999 /nfs/dbraw/zinc/35/59/99/781355999.db2.gz SMXRJDGKQVVRMG-MRVPVSSYSA-N 0 3 284.316 -1.991 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H]2CCCN(C)C2=O)CC1 ZINC001135250459 781356163 /nfs/dbraw/zinc/35/61/63/781356163.db2.gz PCSXNTHADHFXHC-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN Cc1cc(C(=O)NCCNCC(=O)NC(N)=O)nc(C)n1 ZINC001135265760 781356318 /nfs/dbraw/zinc/35/63/18/781356318.db2.gz ILVHYLMWLUHMGK-UHFFFAOYSA-N 0 3 294.315 -1.392 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H]2CCCN(C)C2=O)CC1 ZINC001135250461 781356407 /nfs/dbraw/zinc/35/64/07/781356407.db2.gz PCSXNTHADHFXHC-SNVBAGLBSA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@H](NCCNC(=O)C1(C(=O)NC)CC1)C(N)=O ZINC001135253508 781356468 /nfs/dbraw/zinc/35/64/68/781356468.db2.gz GALNWPKXJFQSHJ-QMMMGPOBSA-N 0 3 270.333 -1.518 20 0 CAADHN C[C@@H](NCCNC(=O)C1CC(=O)NC(=O)C1)C(=O)N(C)C ZINC001135273133 781356521 /nfs/dbraw/zinc/35/65/21/781356521.db2.gz JIMPMRIHFZZCOG-MRVPVSSYSA-N 0 3 298.343 -1.778 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H]2CCN(C)C2=O)CC1 ZINC001135253791 781356706 /nfs/dbraw/zinc/35/67/06/781356706.db2.gz LSOBFCWQNLQUFX-VIFPVBQESA-N 0 3 282.344 -1.551 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)C2(C(=O)NC)CC2)C1=O ZINC001135253582 781356917 /nfs/dbraw/zinc/35/69/17/781356917.db2.gz JBQKKYRTGZWXNS-JTQLQIEISA-N 0 3 296.371 -1.161 20 0 CAADHN CCNC(=O)CNCCNC(=O)C1(C(=O)NC)CC1 ZINC001135250946 781357350 /nfs/dbraw/zinc/35/73/50/781357350.db2.gz ZMRPXBLXDPEASR-UHFFFAOYSA-N 0 3 270.333 -1.646 20 0 CAADHN CC(C)NC(=O)CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135268777 781357557 /nfs/dbraw/zinc/35/75/57/781357557.db2.gz GRYYYTSXXSJIQX-UHFFFAOYSA-N 0 3 298.343 -1.730 20 0 CAADHN CCNC(=O)CNCCNC(=O)C1CC(=O)NC(=O)C1 ZINC001135269127 781357652 /nfs/dbraw/zinc/35/76/52/781357652.db2.gz LFELOSVUXNZVQQ-UHFFFAOYSA-N 0 3 284.316 -2.119 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)C1CC(=O)NC(=O)C1 ZINC001135269180 781357847 /nfs/dbraw/zinc/35/78/47/781357847.db2.gz MAXHKMOZKGWMRC-MRVPVSSYSA-N 0 3 282.300 -2.367 20 0 CAADHN Cn1ncc(C(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001135283199 781358050 /nfs/dbraw/zinc/35/80/50/781358050.db2.gz NZGCQLREPQXJAF-SSDOTTSWSA-N 0 3 252.278 -1.977 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnn(C)n1 ZINC001135284091 781358104 /nfs/dbraw/zinc/35/81/04/781358104.db2.gz BPRVTCJJDDAVNR-SSDOTTSWSA-N 0 3 254.294 -1.731 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnn(C)n1 ZINC001135282936 781358425 /nfs/dbraw/zinc/35/84/25/781358425.db2.gz BOLJTUKREDMWFK-UHFFFAOYSA-N 0 3 283.292 -2.410 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1cnn(C)n1 ZINC001135283032 781358807 /nfs/dbraw/zinc/35/88/07/781358807.db2.gz GPKJPJPZNAWFCJ-UHFFFAOYSA-N 0 3 268.321 -1.339 20 0 CAADHN CN(C(=O)CNCCNC(=O)c1cnn(C)n1)C1CC1 ZINC001135282957 781358995 /nfs/dbraw/zinc/35/89/95/781358995.db2.gz CJDWRAWHSCRHOW-UHFFFAOYSA-N 0 3 280.332 -1.245 20 0 CAADHN CC(C)CNC(=O)CNCCNC(=O)c1cnn(C)n1 ZINC001135284301 781359488 /nfs/dbraw/zinc/35/94/88/781359488.db2.gz KPUHEQJRYROFFI-UHFFFAOYSA-N 0 3 282.348 -1.093 20 0 CAADHN Cn1ncc(C(=O)NCCNCCNS(C)(=O)=O)n1 ZINC001135284387 781359535 /nfs/dbraw/zinc/35/95/35/781359535.db2.gz OHGMNYTYAZYUMW-UHFFFAOYSA-N 0 3 290.349 -2.316 20 0 CAADHN CNC(=O)NC(=O)[C@H](C)NCCNC(=O)c1cnn(C)n1 ZINC001135287079 781360748 /nfs/dbraw/zinc/36/07/48/781360748.db2.gz VUCIUWQPSOEWQS-ZETCQYMHSA-N 0 3 297.319 -2.021 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1cnn(C)n1 ZINC001135288006 781360768 /nfs/dbraw/zinc/36/07/68/781360768.db2.gz BVZZOMRIKYXPNT-UHFFFAOYSA-N 0 3 268.321 -1.387 20 0 CAADHN C[C@H](NCCNC(=O)c1cnn(C)n1)C(=O)NC1CC1 ZINC001135286871 781360794 /nfs/dbraw/zinc/36/07/94/781360794.db2.gz MIYNLNPDZFUVQI-QMMMGPOBSA-N 0 3 280.332 -1.198 20 0 CAADHN C[C@H](C[C@@H](C)NC(=O)C(N)=O)NCC(=O)Nc1ccon1 ZINC001135353074 781362664 /nfs/dbraw/zinc/36/26/64/781362664.db2.gz BTCPSNDZXKJXLV-HTQZYQBOSA-N 0 3 297.315 -1.029 20 0 CAADHN C[C@H](C[C@H](C)NCC(=O)Nc1ccon1)NC(=O)C(N)=O ZINC001135353075 781362847 /nfs/dbraw/zinc/36/28/47/781362847.db2.gz BTCPSNDZXKJXLV-JGVFFNPUSA-N 0 3 297.315 -1.029 20 0 CAADHN C[C@H](NCCNC(=O)C(C)(C)N1CCOCC1)C(N)=O ZINC001135346972 781363238 /nfs/dbraw/zinc/36/32/38/781363238.db2.gz IBPGKOMNBIQPFC-JTQLQIEISA-N 0 3 286.376 -1.323 20 0 CAADHN CC(C)(C(=O)NCCN[C@@H]1CCNC1=O)N1CCOCC1 ZINC001135347195 781363258 /nfs/dbraw/zinc/36/32/58/781363258.db2.gz SDWARKMSXPCXTP-LLVKDONJSA-N 0 3 298.387 -1.309 20 0 CAADHN CNC(=O)CNCCNC(=O)C(C)(C)N1CCOCC1 ZINC001135347325 781363777 /nfs/dbraw/zinc/36/37/77/781363777.db2.gz ZRYOHBOYAKHCEW-UHFFFAOYSA-N 0 3 286.376 -1.451 20 0 CAADHN C[C@H](C[C@H](C)NC(=O)C(N)=O)NCC(=O)Nc1ccon1 ZINC001135353076 781364083 /nfs/dbraw/zinc/36/40/83/781364083.db2.gz BTCPSNDZXKJXLV-SFYZADRCSA-N 0 3 297.315 -1.029 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C(C)(C)NC(C)=O ZINC001135379015 781364771 /nfs/dbraw/zinc/36/47/71/781364771.db2.gz KVZBJIUNNOPBOM-MRVPVSSYSA-N 0 3 272.349 -1.259 20 0 CAADHN CC(=O)NCc1ccc(C(=O)NCCNCC(N)=O)o1 ZINC001135397202 781364793 /nfs/dbraw/zinc/36/47/93/781364793.db2.gz KSXHXQSESSRFGA-UHFFFAOYSA-N 0 3 282.300 -1.280 20 0 CAADHN CC(=O)N[C@H](CCC(N)=O)C(=O)NCCNCC(N)=O ZINC001135385156 781364978 /nfs/dbraw/zinc/36/49/78/781364978.db2.gz SJSYQMLUYZAOAR-MRVPVSSYSA-N 0 3 287.320 -3.052 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001135378715 781365099 /nfs/dbraw/zinc/36/50/99/781365099.db2.gz IZRWXQNJQVMZMJ-JTQLQIEISA-N 0 3 284.360 -1.162 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCN[C@H]1CCCNC1=O ZINC001135375794 781365263 /nfs/dbraw/zinc/36/52/63/781365263.db2.gz YGIYFNNVHPTKRJ-JTQLQIEISA-N 0 3 284.360 -1.115 20 0 CAADHN CCNC(=O)CNCCNC(=O)C(C)(C)NC(C)=O ZINC001135381151 781365411 /nfs/dbraw/zinc/36/54/11/781365411.db2.gz QLTYGOARBZLAQB-UHFFFAOYSA-N 0 3 272.349 -1.257 20 0 CAADHN CC(=O)NC(C)(C)C(=O)NCCNCC(=O)NC1CC1 ZINC001135380998 781365608 /nfs/dbraw/zinc/36/56/08/781365608.db2.gz IYMNJDSSWMQKHP-UHFFFAOYSA-N 0 3 284.360 -1.115 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NCCN[C@@H]1CCCNC1=O ZINC001135444128 781366241 /nfs/dbraw/zinc/36/62/41/781366241.db2.gz NMROEMQHTPHBTL-MRVPVSSYSA-N 0 3 297.315 -2.477 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1CC(=O)NC1=O ZINC001135444240 781366652 /nfs/dbraw/zinc/36/66/52/781366652.db2.gz PGNVHLLNOWKKIP-ZETCQYMHSA-N 0 3 285.304 -2.622 20 0 CAADHN C[C@H](NCCNC(=O)CN1CC(=O)NC1=O)C(=O)N(C)C ZINC001135444229 781366716 /nfs/dbraw/zinc/36/67/16/781366716.db2.gz OXQXGWGLZPOPPJ-QMMMGPOBSA-N 0 3 299.331 -2.279 20 0 CAADHN O=C(CN1CC(=O)NC1=O)NCCN[C@H]1CCCNC1=O ZINC001135444129 781366757 /nfs/dbraw/zinc/36/67/57/781366757.db2.gz NMROEMQHTPHBTL-QMMMGPOBSA-N 0 3 297.315 -2.477 20 0 CAADHN Cc1nc(CNCCNC(=O)CN2CC(=O)NC2=O)n[nH]1 ZINC001135444527 781366788 /nfs/dbraw/zinc/36/67/88/781366788.db2.gz WQGGTAOSSVQGAV-UHFFFAOYSA-N 0 3 295.303 -2.129 20 0 CAADHN CC[C@H](F)CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135444482 781367188 /nfs/dbraw/zinc/36/71/88/781367188.db2.gz WBEZUIYIJFYDAV-QMMMGPOBSA-N 0 3 274.296 -1.008 20 0 CAADHN Cc1n[nH]c(C)c1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001135428729 781367306 /nfs/dbraw/zinc/36/73/06/781367306.db2.gz JRBTVGUOCTWWTN-MRVPVSSYSA-N 0 3 296.331 -1.071 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)C1CCOCC1 ZINC001135474550 781368220 /nfs/dbraw/zinc/36/82/20/781368220.db2.gz SVYGEPGSFMQDFQ-UHFFFAOYSA-N 0 3 286.332 -2.280 20 0 CAADHN NC(=O)CNCCNC(=O)c1[nH]ncc1Br ZINC001135462499 781368409 /nfs/dbraw/zinc/36/84/09/781368409.db2.gz OCKNYNBOBOIHPC-UHFFFAOYSA-N 0 3 290.121 -1.023 20 0 CAADHN NC(=O)C[NH2+]CCNC(=O)c1[n-]ncc1Br ZINC001135462499 781368413 /nfs/dbraw/zinc/36/84/13/781368413.db2.gz OCKNYNBOBOIHPC-UHFFFAOYSA-N 0 3 290.121 -1.023 20 0 CAADHN NC(=O)CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135440585 781368463 /nfs/dbraw/zinc/36/84/63/781368463.db2.gz OVGRIJFIHIMUMB-UHFFFAOYSA-N 0 3 257.250 -3.271 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135440032 781368750 /nfs/dbraw/zinc/36/87/50/781368750.db2.gz BQWLORHVNPUDMY-UHFFFAOYSA-N 0 3 285.304 -2.668 20 0 CAADHN Cn1cc(CNCCNC(=O)CN2CC(=O)NC2=O)cn1 ZINC001135440589 781369139 /nfs/dbraw/zinc/36/91/39/781369139.db2.gz PBQHQEVQKCXNJO-UHFFFAOYSA-N 0 3 294.315 -1.822 20 0 CAADHN CCNC(=O)CNCCNC(=O)CN1CC(=O)NC1=O ZINC001135441094 781369235 /nfs/dbraw/zinc/36/92/35/781369235.db2.gz ZAOYMTUQRZZXIP-UHFFFAOYSA-N 0 3 285.304 -2.620 20 0 CAADHN O=C(CNCCNC(=O)c1nnc[nH]1)Nc1cnccn1 ZINC001135520856 781370033 /nfs/dbraw/zinc/37/00/33/781370033.db2.gz PSRIHIMPWRMASH-UHFFFAOYSA-N 0 3 290.287 -1.447 20 0 CAADHN O=C(CNCCNC(=O)c1nnc[nH]1)N1CCNC(=O)C1 ZINC001135521375 781370351 /nfs/dbraw/zinc/37/03/51/781370351.db2.gz ZPJSXOAUDILSCC-UHFFFAOYSA-N 0 3 295.303 -2.918 20 0 CAADHN O=C(CNCCNC(=O)c1nnc[nH]1)Nc1nncs1 ZINC001135521173 781371165 /nfs/dbraw/zinc/37/11/65/781371165.db2.gz VWDZLYWVNBAJEF-UHFFFAOYSA-N 0 3 296.316 -1.386 20 0 CAADHN CCN(CC)CC(=O)NCCNCc1nnn(C)n1 ZINC001135508339 781371639 /nfs/dbraw/zinc/37/16/39/781371639.db2.gz LMEOAJBCKGPRTC-UHFFFAOYSA-N 0 3 269.353 -1.242 20 0 CAADHN CCN(CC)CC(=O)NCCNCc1nnnn1C ZINC001135508355 781372457 /nfs/dbraw/zinc/37/24/57/781372457.db2.gz MFQHBQHGCNYLOI-UHFFFAOYSA-N 0 3 269.353 -1.242 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1ccncn1 ZINC001135539201 781373883 /nfs/dbraw/zinc/37/38/83/781373883.db2.gz LVXLUMVRTMMIMI-UHFFFAOYSA-N 0 3 266.261 -2.009 20 0 CAADHN O=C(CNCCNC(=O)c1ccncn1)N1CCOCC1 ZINC001135542848 781374046 /nfs/dbraw/zinc/37/40/46/781374046.db2.gz WSCWLTGXZRRCCP-UHFFFAOYSA-N 0 3 293.327 -1.345 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1ccncn1 ZINC001135542786 781374102 /nfs/dbraw/zinc/37/41/02/781374102.db2.gz SSJGXESVYSYOEH-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1ccncn1 ZINC001135545426 781374290 /nfs/dbraw/zinc/37/42/90/781374290.db2.gz KRVBBSYDIUFTJO-QMMMGPOBSA-N 0 3 277.284 -1.399 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1nc2ncccn2n1 ZINC001135550366 781374969 /nfs/dbraw/zinc/37/49/69/781374969.db2.gz GKBYMXLLDUEUNF-QMMMGPOBSA-N 0 3 291.315 -1.422 20 0 CAADHN O=C(CNCCNC(=O)c1cnon1)NC[C@@H]1CCOC1 ZINC001135567212 781375380 /nfs/dbraw/zinc/37/53/80/781375380.db2.gz KXZZXXLOHWLTBK-VIFPVBQESA-N 0 3 297.315 -1.458 20 0 CAADHN C[C@H]1CN(C(=O)CNCCNC(=O)c2cnon2)CCO1 ZINC001135567135 781375488 /nfs/dbraw/zinc/37/54/88/781375488.db2.gz IKIWMTWVCVBARG-VIFPVBQESA-N 0 3 297.315 -1.364 20 0 CAADHN COCCCNC(=O)[C@@H](C)NCCNC(=O)c1cnon1 ZINC001135582401 781375571 /nfs/dbraw/zinc/37/55/71/781375571.db2.gz DPQZTYGEZFUYHM-SECBINFHSA-N 0 3 299.331 -1.070 20 0 CAADHN C[C@H](NCCNC(=O)c1nc2ncccn2n1)C(N)=O ZINC001135550569 781376026 /nfs/dbraw/zinc/37/60/26/781376026.db2.gz KUKFKEVXWOIZKT-ZETCQYMHSA-N 0 3 277.288 -1.683 20 0 CAADHN O=C(NCCN[C@H]1CCNC1=O)c1cc2ncccn2n1 ZINC001135584311 781376385 /nfs/dbraw/zinc/37/63/85/781376385.db2.gz DGVIVWKBMRPAER-VIFPVBQESA-N 0 3 288.311 -1.063 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1cnon1 ZINC001135567058 781376527 /nfs/dbraw/zinc/37/65/27/781376527.db2.gz FFFICKNHMGPZAY-UHFFFAOYSA-N 0 3 277.306 -2.062 20 0 CAADHN O=C(CNCCNC(=O)c1cnon1)NC1CCOCC1 ZINC001135573857 781376895 /nfs/dbraw/zinc/37/68/95/781376895.db2.gz WZYRGJNXGGKSBS-UHFFFAOYSA-N 0 3 297.315 -1.316 20 0 CAADHN C[C@@H](NCCNC(=O)c1nc2ncccn2n1)C(N)=O ZINC001135550568 781376932 /nfs/dbraw/zinc/37/69/32/781376932.db2.gz KUKFKEVXWOIZKT-SSDOTTSWSA-N 0 3 277.288 -1.683 20 0 CAADHN CCNC(=O)CNCCNC(=O)c1nc2ncccn2n1 ZINC001135554417 781377053 /nfs/dbraw/zinc/37/70/53/781377053.db2.gz QNIPLQAZUUMQGO-UHFFFAOYSA-N 0 3 291.315 -1.420 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cc2ncccn2n1 ZINC001135582521 781377095 /nfs/dbraw/zinc/37/70/95/781377095.db2.gz KJTSPTVQIVYHBP-UHFFFAOYSA-N 0 3 276.300 -1.205 20 0 CAADHN CCn1ncc(C(=O)NCCNCC(=O)NC(N)=O)c1C ZINC001135650187 781377522 /nfs/dbraw/zinc/37/75/22/781377522.db2.gz IKDPMVBWSWXOLC-UHFFFAOYSA-N 0 3 296.331 -1.274 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1cnon1 ZINC001135576916 781377834 /nfs/dbraw/zinc/37/78/34/781377834.db2.gz KQWBAXYZZGBKHY-UHFFFAOYSA-N 0 3 270.249 -2.155 20 0 CAADHN O=C(CNCCNC(=O)c1cnon1)NC[C@@H]1CCCO1 ZINC001135577572 781378034 /nfs/dbraw/zinc/37/80/34/781378034.db2.gz VQLZKCACVCFPTM-VIFPVBQESA-N 0 3 297.315 -1.316 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1ncccn1 ZINC001135602243 781378192 /nfs/dbraw/zinc/37/81/92/781378192.db2.gz GTGRZGZHCAAHFE-UHFFFAOYSA-N 0 3 251.290 -1.116 20 0 CAADHN O=C(CNCCNC(=O)c1cnon1)NC[C@H]1CCCO1 ZINC001135577570 781378355 /nfs/dbraw/zinc/37/83/55/781378355.db2.gz VQLZKCACVCFPTM-SECBINFHSA-N 0 3 297.315 -1.316 20 0 CAADHN C[C@H](NCCNC(=O)c1cc2ncccn2n1)C(N)=O ZINC001135584451 781378368 /nfs/dbraw/zinc/37/83/68/781378368.db2.gz HDHYVOFYYSLQSL-QMMMGPOBSA-N 0 3 276.300 -1.078 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cccnn1 ZINC001135628939 781378429 /nfs/dbraw/zinc/37/84/29/781378429.db2.gz RQEUOYZYJPJJIP-UHFFFAOYSA-N 0 3 266.261 -2.009 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)c1cccnn1 ZINC001135628130 781378506 /nfs/dbraw/zinc/37/85/06/781378506.db2.gz BDYBGBSQKDDRSH-UHFFFAOYSA-N 0 3 287.345 -1.655 20 0 CAADHN O=C(NCCN[C@H]1CCC(=O)NC1=O)c1ncccn1 ZINC001135602548 781378537 /nfs/dbraw/zinc/37/85/37/781378537.db2.gz VEBJUKZCOVZJLZ-QMMMGPOBSA-N 0 3 277.284 -1.399 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)Cc1ccco1 ZINC001135587105 781378643 /nfs/dbraw/zinc/37/86/43/781378643.db2.gz MAGGSQLWBLUPAB-UHFFFAOYSA-N 0 3 282.300 -1.017 20 0 CAADHN CC[C@@H](C)NC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135677643 781379554 /nfs/dbraw/zinc/37/95/54/781379554.db2.gz SBCXZZBQUUMVQV-SNVBAGLBSA-N 0 3 297.363 -1.316 20 0 CAADHN COc1ccc(C(=O)NCCNCC(=O)NC(N)=O)o1 ZINC001135663561 781379579 /nfs/dbraw/zinc/37/95/79/781379579.db2.gz CFNVHSZSIWLDRP-UHFFFAOYSA-N 0 3 284.272 -1.198 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)c1cccnn1 ZINC001135641531 781379744 /nfs/dbraw/zinc/37/97/44/781379744.db2.gz ZUXZQMNALHAJQJ-UHFFFAOYSA-N 0 3 295.343 -1.051 20 0 CAADHN O=C(CCn1cnnn1)NCCN[C@@H]1CCCNC1=O ZINC001135677347 781379825 /nfs/dbraw/zinc/37/98/25/781379825.db2.gz DIPSITHWXAEPON-SECBINFHSA-N 0 3 281.320 -1.952 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1nccs1 ZINC001135653333 781379866 /nfs/dbraw/zinc/37/98/66/781379866.db2.gz NJVFMGCJXUCUMU-UHFFFAOYSA-N 0 3 271.302 -1.343 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135677536 781380238 /nfs/dbraw/zinc/38/02/38/781380238.db2.gz NRDGGZTZNOVGFH-UHFFFAOYSA-N 0 3 298.307 -2.775 20 0 CAADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCNCC(N)=O ZINC001135669270 781380412 /nfs/dbraw/zinc/38/04/12/781380412.db2.gz HFAHHLULGRJHKK-UHFFFAOYSA-N 0 3 283.288 -2.070 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001135668007 781380443 /nfs/dbraw/zinc/38/04/43/781380443.db2.gz HHJRXPYBNXYMPE-UHFFFAOYSA-N 0 3 297.315 -1.809 20 0 CAADHN Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)NCCN[C@H](C)C(N)=O ZINC001135669232 781380533 /nfs/dbraw/zinc/38/05/33/781380533.db2.gz FONIMCCXZNITLN-SSDOTTSWSA-N 0 3 297.315 -1.682 20 0 CAADHN O=C(CCn1cnnn1)NCCNCC(=O)N1CCCC1 ZINC001135677777 781380623 /nfs/dbraw/zinc/38/06/23/781380623.db2.gz YXBUVSLMWVLDQL-UHFFFAOYSA-N 0 3 295.347 -1.609 20 0 CAADHN CN1CC[C@@H](NCCNC(=O)CCn2cnnn2)C1=O ZINC001135702448 781381001 /nfs/dbraw/zinc/38/10/01/781381001.db2.gz INSZIWNZXFRUFC-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN O=C(CCn1cnnn1)NCCN[C@H]1CCC(=O)NC1=O ZINC001135681681 781381120 /nfs/dbraw/zinc/38/11/20/781381120.db2.gz PKJPXHFHKHHVLA-QMMMGPOBSA-N 0 3 295.303 -2.426 20 0 CAADHN CNC(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135681115 781381412 /nfs/dbraw/zinc/38/14/12/781381412.db2.gz BSSVBODJYVZMRD-UHFFFAOYSA-N 0 3 255.282 -2.485 20 0 CAADHN O=C(CCn1cnnn1)NCCNCC(=O)N1CCC1 ZINC001135684760 781381724 /nfs/dbraw/zinc/38/17/24/781381724.db2.gz WLWIIURALBVLJD-UHFFFAOYSA-N 0 3 281.320 -1.999 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1cnnn1)C(=O)N(C)C ZINC001135681813 781381738 /nfs/dbraw/zinc/38/17/38/781381738.db2.gz TZQBMXNDFAHGFG-SECBINFHSA-N 0 3 283.336 -1.754 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)CCn1cnnn1 ZINC001135684178 781382179 /nfs/dbraw/zinc/38/21/79/781382179.db2.gz CTWOYVPJARMZCR-UHFFFAOYSA-N 0 3 283.336 -1.753 20 0 CAADHN C[C@@H](NCCNC(=O)CCn1cnnn1)C(=O)NC(N)=O ZINC001135702218 781382264 /nfs/dbraw/zinc/38/22/64/781382264.db2.gz BPXYHDIQOHOKNA-SSDOTTSWSA-N 0 3 298.307 -2.648 20 0 CAADHN C[C@H](NCCNC(=O)CCn1cnnn1)C(=O)N(C)C ZINC001135681814 781382373 /nfs/dbraw/zinc/38/23/73/781382373.db2.gz TZQBMXNDFAHGFG-VIFPVBQESA-N 0 3 283.336 -1.754 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)CCn2cnnn2)C1=O ZINC001135681205 781382432 /nfs/dbraw/zinc/38/24/32/781382432.db2.gz DJRAYYIAMQBVLS-JTQLQIEISA-N 0 3 295.347 -1.610 20 0 CAADHN O=C(Cc1ncc[nH]1)NCCN[C@@H]1CCNC1=O ZINC001135754446 781383342 /nfs/dbraw/zinc/38/33/42/781383342.db2.gz CNXHLTPBWOFFMS-MRVPVSSYSA-N 0 3 251.290 -1.454 20 0 CAADHN CS(=O)(=O)NCCNCCNC(=O)Cc1ncc[nH]1 ZINC001135757378 781383365 /nfs/dbraw/zinc/38/33/65/781383365.db2.gz AAZKZSNXMNAXTR-UHFFFAOYSA-N 0 3 289.361 -1.793 20 0 CAADHN CCOCCNC(=O)CNCCNC(=O)Cc1ncc[nH]1 ZINC001135760269 781383967 /nfs/dbraw/zinc/38/39/67/781383967.db2.gz KONGOLDDSRSUQP-UHFFFAOYSA-N 0 3 297.359 -1.189 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)Cc1ncc[nH]1 ZINC001135757688 781384329 /nfs/dbraw/zinc/38/43/29/781384329.db2.gz LTYCUHOTGAFINT-MRVPVSSYSA-N 0 3 253.306 -1.208 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@]1(C)CCOC1 ZINC001135780741 781384442 /nfs/dbraw/zinc/38/44/42/781384442.db2.gz IGTWTSIXCIXEKS-GFCCVEGCSA-N 0 3 286.332 -1.426 20 0 CAADHN C[C@]1(C(=O)NCCNCC(=O)N2CCOCC2)CCOC1 ZINC001135781409 781384709 /nfs/dbraw/zinc/38/47/09/781384709.db2.gz PFKCXURJSYYASE-AWEZNQCLSA-N 0 3 299.371 -1.022 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1ncccc1F ZINC001135726922 781384742 /nfs/dbraw/zinc/38/47/42/781384742.db2.gz DINOBAKXIHHJQY-UHFFFAOYSA-N 0 3 297.290 -1.004 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCO[C@H]1C ZINC001135783041 781385103 /nfs/dbraw/zinc/38/51/03/781385103.db2.gz LKHKCRZZMZAOTB-DTWKUNHWSA-N 0 3 286.332 -1.427 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135813125 781385243 /nfs/dbraw/zinc/38/52/43/781385243.db2.gz SJSCXCOSEPMVGE-UHFFFAOYSA-N 0 3 296.287 -2.372 20 0 CAADHN C[C@H](NCCNC(=O)c1cc(C(N)=O)c[nH]1)C(N)=O ZINC001135809783 781386290 /nfs/dbraw/zinc/38/62/90/781386290.db2.gz MSANYWUPYHKPJS-LURJTMIESA-N 0 3 267.289 -1.693 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135813205 781386331 /nfs/dbraw/zinc/38/63/31/781386331.db2.gz WIMSBQZDSZMEEH-ZETCQYMHSA-N 0 3 281.316 -1.433 20 0 CAADHN C[C@@]1(C(=O)NCCNCC(=O)NC(N)=O)CCOC1 ZINC001135782130 781386361 /nfs/dbraw/zinc/38/63/61/781386361.db2.gz YACIKXMAILSWGM-LLVKDONJSA-N 0 3 272.305 -1.686 20 0 CAADHN C[C@]1(C(=O)NCCNCCNS(C)(=O)=O)CCOC1 ZINC001135801430 781386446 /nfs/dbraw/zinc/38/64/46/781386446.db2.gz LYKKIVNQSJUSJM-NSHDSACASA-N 0 3 293.389 -1.332 20 0 CAADHN NC(=O)c1c[nH]c(C(=O)NCCN[C@@H]2CCNC2=O)c1 ZINC001135826185 781387029 /nfs/dbraw/zinc/38/70/29/781387029.db2.gz NTGBIONXDLDQLM-MRVPVSSYSA-N 0 3 279.300 -1.679 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135816277 781387416 /nfs/dbraw/zinc/38/74/16/781387416.db2.gz NFLVZWYIGDROLO-UHFFFAOYSA-N 0 3 295.343 -1.089 20 0 CAADHN NC(=O)CNCCNC(=O)c1cc(C(N)=O)c[nH]1 ZINC001135816603 781388005 /nfs/dbraw/zinc/38/80/05/781388005.db2.gz YMHVMOAUVDIEIO-UHFFFAOYSA-N 0 3 253.262 -2.082 20 0 CAADHN COCCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090525516 781388101 /nfs/dbraw/zinc/38/81/01/781388101.db2.gz LNOMQFHQTTUKPV-KOLCDFICSA-N 0 3 296.327 -1.419 20 0 CAADHN C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NC(N)=O)CCO1 ZINC001135837079 781388385 /nfs/dbraw/zinc/38/83/85/781388385.db2.gz CWRQLZYGVRVXGV-IUCAKERBSA-N 0 3 286.332 -1.298 20 0 CAADHN CC[C@@H](NCCNC(=O)C(=O)NCC(F)(F)F)C(N)=O ZINC001135911229 781388765 /nfs/dbraw/zinc/38/87/65/781388765.db2.gz YYYKYLXFKJBLJZ-ZCFIWIBFSA-N 0 3 298.265 -1.365 20 0 CAADHN CC[C@H](NCCNC(=O)C(=O)NCC(F)(F)F)C(N)=O ZINC001135911228 781388921 /nfs/dbraw/zinc/38/89/21/781388921.db2.gz YYYKYLXFKJBLJZ-LURJTMIESA-N 0 3 298.265 -1.365 20 0 CAADHN CCCn1cc(C(=O)NCCN[C@@H](C)C(N)=O)nn1 ZINC001135970831 781389120 /nfs/dbraw/zinc/38/91/20/781389120.db2.gz QCKUJDRWNRWWRM-QMMMGPOBSA-N 0 3 268.321 -1.119 20 0 CAADHN C[C@H](C[C@H](C)NC(=O)Cc1nnc[n-]1)[NH2+]CC(N)=O ZINC001135907379 781389297 /nfs/dbraw/zinc/38/92/97/781389297.db2.gz KILLLIOAQHGVPE-SFYZADRCSA-N 0 3 268.321 -1.295 20 0 CAADHN C[C@H](NCCNC(=O)c1cn(CC2CC2)nn1)C(N)=O ZINC001135965872 781389604 /nfs/dbraw/zinc/38/96/04/781389604.db2.gz VFEXWPBVGVEZMN-QMMMGPOBSA-N 0 3 280.332 -1.119 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn(CC2CC2)nn1 ZINC001135963213 781389938 /nfs/dbraw/zinc/38/99/38/781389938.db2.gz BAWKSSMYJXNBRQ-UHFFFAOYSA-N 0 3 280.332 -1.247 20 0 CAADHN CCCn1cc(C(=O)NCCNCC(=O)NC)nn1 ZINC001135971390 781390290 /nfs/dbraw/zinc/39/02/90/781390290.db2.gz XRARSNVAZANUQW-UHFFFAOYSA-N 0 3 268.321 -1.247 20 0 CAADHN CCn1cc(C(=O)NCCN[C@@H]2CCCNC2=O)nn1 ZINC001135994279 781390826 /nfs/dbraw/zinc/39/08/26/781390826.db2.gz MWWCSCIBKIAQKY-SECBINFHSA-N 0 3 280.332 -1.104 20 0 CAADHN CC[C@H](NCCNC(=O)c1cn(CC)nn1)C(N)=O ZINC001135999129 781391075 /nfs/dbraw/zinc/39/10/75/781391075.db2.gz ZVGHBBCPWRHMCF-QMMMGPOBSA-N 0 3 268.321 -1.119 20 0 CAADHN CCn1cc(C(=O)NCCN[C@H](C)C(N)=O)nn1 ZINC001135994489 781391425 /nfs/dbraw/zinc/39/14/25/781391425.db2.gz WSQGOYVCSIWCHU-SSDOTTSWSA-N 0 3 254.294 -1.509 20 0 CAADHN C[C@H](NCCNC(=O)CCn1cnccc1=O)C(N)=O ZINC001136019662 781391671 /nfs/dbraw/zinc/39/16/71/781391671.db2.gz TZRIXQKUJNWJCZ-VIFPVBQESA-N 0 3 281.316 -1.787 20 0 CAADHN CCn1cc(C(=O)NCCN[C@@H](C)C(=O)NC)nn1 ZINC001135996263 781391762 /nfs/dbraw/zinc/39/17/62/781391762.db2.gz GGNHAFPRDPFKEM-QMMMGPOBSA-N 0 3 268.321 -1.248 20 0 CAADHN CCn1cc(C(=O)NCCN[C@H]2CCCNC2=O)nn1 ZINC001135994280 781391807 /nfs/dbraw/zinc/39/18/07/781391807.db2.gz MWWCSCIBKIAQKY-VIFPVBQESA-N 0 3 280.332 -1.104 20 0 CAADHN CCn1cc(C(=O)NCCNCC(=O)NC)nn1 ZINC001135994486 781391891 /nfs/dbraw/zinc/39/18/91/781391891.db2.gz WQSGYPXQRFHFCJ-UHFFFAOYSA-N 0 3 254.294 -1.637 20 0 CAADHN CCn1cc(C(=O)NCCN[C@H]2CCN(C)C2=O)nn1 ZINC001135999078 781392240 /nfs/dbraw/zinc/39/22/40/781392240.db2.gz XOBDDSKRFVEJBM-VIFPVBQESA-N 0 3 280.332 -1.152 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090526299 781392875 /nfs/dbraw/zinc/39/28/75/781392875.db2.gz BNXUTMSCFLNDTQ-SCZZXKLOSA-N 0 3 266.301 -1.045 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCn1cnccc1=O ZINC001136022284 781393099 /nfs/dbraw/zinc/39/30/99/781393099.db2.gz WGCSBPJATUODRB-SNVBAGLBSA-N 0 3 295.343 -1.526 20 0 CAADHN CC[C@@H](NCCNC(=O)CCn1cnccc1=O)C(N)=O ZINC001136022127 781393279 /nfs/dbraw/zinc/39/32/79/781393279.db2.gz SBYLEXGLVXISPG-SNVBAGLBSA-N 0 3 295.343 -1.397 20 0 CAADHN C[C@@H](Cc1cnn(C)c1)C(=O)NCCNCC(N)=O ZINC001136012411 781393375 /nfs/dbraw/zinc/39/33/75/781393375.db2.gz NKTCFORCZUTZRP-VIFPVBQESA-N 0 3 267.333 -1.210 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCn1cnccc1=O ZINC001136022333 781393456 /nfs/dbraw/zinc/39/34/56/781393456.db2.gz ZBHWGZHDJNKUML-UHFFFAOYSA-N 0 3 295.343 -1.573 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NCCNCC(=O)NC ZINC001136130255 781394479 /nfs/dbraw/zinc/39/44/79/781394479.db2.gz WQEOCOTZNSURAI-UHFFFAOYSA-N 0 3 294.377 -2.280 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NCCNCC(N)=O ZINC001136129120 781395273 /nfs/dbraw/zinc/39/52/73/781395273.db2.gz CANOUUFYEUFREQ-UHFFFAOYSA-N 0 3 280.350 -2.541 20 0 CAADHN NC(=O)CNCCNC(=O)C1(N2CCOCC2)CCC1 ZINC001136105919 781395341 /nfs/dbraw/zinc/39/53/41/781395341.db2.gz PADQQZVERYQZLM-UHFFFAOYSA-N 0 3 284.360 -1.568 20 0 CAADHN COC[C@@H](C)CC(=O)NCCNCC(=O)NC(N)=O ZINC001136118464 781395434 /nfs/dbraw/zinc/39/54/34/781395434.db2.gz ADFWROREOYKFMC-QMMMGPOBSA-N 0 3 274.321 -1.440 20 0 CAADHN CCS(=O)(=O)N(C)CC(=O)NCCN[C@@H](C)C(N)=O ZINC001136129307 781395561 /nfs/dbraw/zinc/39/55/61/781395561.db2.gz HAJHTKYPNDDQGY-QMMMGPOBSA-N 0 3 294.377 -2.153 20 0 CAADHN O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)c1c[nH]c(=O)cn1 ZINC001090529583 781395952 /nfs/dbraw/zinc/39/59/52/781395952.db2.gz VRWDTSIDVNBNLB-KOLCDFICSA-N 0 3 296.327 -1.683 20 0 CAADHN CC(C)=CCN1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090534790 781405388 /nfs/dbraw/zinc/40/53/88/781405388.db2.gz QGNVOZUMCVZRJF-NXEZZACHSA-N 0 3 255.318 -1.011 20 0 CAADHN Cn1nccc1CCN1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001090534656 781405865 /nfs/dbraw/zinc/40/58/65/781405865.db2.gz PWBLBIDPOPDQJU-GHMZBOCLSA-N 0 3 295.343 -2.001 20 0 CAADHN NC(=O)C(=O)N[C@@H]1CCN(CCOC2CCC2)C[C@H]1O ZINC001090535731 781406154 /nfs/dbraw/zinc/40/61/54/781406154.db2.gz VWLFWQZYJNCBQE-GHMZBOCLSA-N 0 3 285.344 -1.408 20 0 CAADHN Cn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)[nH]c1=O ZINC001090536223 781407194 /nfs/dbraw/zinc/40/71/94/781407194.db2.gz CFKMZXLBIWGVEN-ONGXEEELSA-N 0 3 298.343 -1.327 20 0 CAADHN NC(=O)CN1CC[C@@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1 ZINC001090553822 781409558 /nfs/dbraw/zinc/40/95/58/781409558.db2.gz RWDCEYAYPWODEF-SFYZADRCSA-N 0 3 285.279 -1.801 20 0 CAADHN CNC(=O)CN1CC[C@H](NC(=O)c2[nH]ncc2F)[C@@H](O)C1 ZINC001090553007 781409974 /nfs/dbraw/zinc/40/99/74/781409974.db2.gz ISAPBDPAPRGTQR-IUCAKERBSA-N 0 3 299.306 -1.540 20 0 CAADHN COC(=O)[C@@H]1CC[C@@H](N[C@H]2CCC(=O)NC2=O)CN1 ZINC001246187208 781411271 /nfs/dbraw/zinc/41/12/71/781411271.db2.gz NHDCDKDGXMTIJW-VGMNWLOBSA-N 0 3 269.301 -1.325 20 0 CAADHN O=C(Cc1c[nH]cn1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090599124 781411254 /nfs/dbraw/zinc/41/12/54/781411254.db2.gz DCQVVEHINMBDPI-VXGBXAGGSA-N 0 3 282.344 -1.114 20 0 CAADHN CCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@@H](O)C1 ZINC001090636337 781414774 /nfs/dbraw/zinc/41/47/74/781414774.db2.gz ACHJDNYDPKFZDO-UWVGGRQHSA-N 0 3 283.328 -1.390 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](NCCN2C(=O)C=CC2=O)CN1 ZINC001246212124 781415089 /nfs/dbraw/zinc/41/50/89/781415089.db2.gz UXXHVMRCLFHNCA-BDAKNGLRSA-N 0 3 267.285 -1.596 20 0 CAADHN CCN1CC[C@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 ZINC001090636339 781415327 /nfs/dbraw/zinc/41/53/27/781415327.db2.gz ACHJDNYDPKFZDO-VHSXEESVSA-N 0 3 283.328 -1.390 20 0 CAADHN CCN1CC[C@@H](NC(=O)C2CC(=O)NC(=O)C2)[C@H](O)C1 ZINC001090636335 781415583 /nfs/dbraw/zinc/41/55/83/781415583.db2.gz ACHJDNYDPKFZDO-NXEZZACHSA-N 0 3 283.328 -1.390 20 0 CAADHN Cn1ncc(C(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090645537 781416400 /nfs/dbraw/zinc/41/64/00/781416400.db2.gz SZVQUCQQEBYGQF-KOLCDFICSA-N 0 3 283.332 -1.638 20 0 CAADHN CCN1CCN(CCNC(=O)[C@H]2C[C@H]2C(N)=O)CC1 ZINC001136660467 781417257 /nfs/dbraw/zinc/41/72/57/781417257.db2.gz PYEQMTAOJWNMEK-MNOVXSKESA-N 0 3 268.361 -1.139 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@@H](O)C1 ZINC001090655950 781418538 /nfs/dbraw/zinc/41/85/38/781418538.db2.gz YAAYTZIYUUWYAM-BDAKNGLRSA-N 0 3 284.316 -1.891 20 0 CAADHN O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)c1cnon1 ZINC001090660359 781419357 /nfs/dbraw/zinc/41/93/57/781419357.db2.gz QOBOKCGKWQJZDE-WPRPVWTQSA-N 0 3 270.289 -1.383 20 0 CAADHN O=C(Cc1ncc[nH]1)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001090678000 781421478 /nfs/dbraw/zinc/42/14/78/781421478.db2.gz CUKMSOLNDBJMRR-ZJUUUORDSA-N 0 3 268.317 -1.504 20 0 CAADHN Cc1nonc1CC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090690777 781421542 /nfs/dbraw/zinc/42/15/42/781421542.db2.gz UFVAVHVXGAUXLN-JQWIXIFHSA-N 0 3 298.343 -1.146 20 0 CAADHN Cc1nonc1CC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090690779 781421622 /nfs/dbraw/zinc/42/16/22/781421622.db2.gz UFVAVHVXGAUXLN-ZYHUDNBSSA-N 0 3 298.343 -1.146 20 0 CAADHN CCn1cc(C(=O)N[C@H]2CCN(CCCO)C[C@H]2O)nn1 ZINC001090678496 781422712 /nfs/dbraw/zinc/42/27/12/781422712.db2.gz HOEDPDZMPUQGCJ-CMPLNLGQSA-N 0 3 297.359 -1.155 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)[C@H](O)C1 ZINC001090710710 781424580 /nfs/dbraw/zinc/42/45/80/781424580.db2.gz XWTKDRKJGLARAK-VHSXEESVSA-N 0 3 298.343 -1.500 20 0 CAADHN Cn1cncc1CC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090728452 781426247 /nfs/dbraw/zinc/42/62/47/781426247.db2.gz SCLGFUDSMCSBNJ-STQMWFEESA-N 0 3 296.371 -1.104 20 0 CAADHN Cn1cncc1CC(=O)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001090728461 781426271 /nfs/dbraw/zinc/42/62/71/781426271.db2.gz SIWWKKHKTVWFLE-NEPJUHHUSA-N 0 3 282.344 -1.494 20 0 CAADHN Cn1cncc1CC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001090728451 781426793 /nfs/dbraw/zinc/42/67/93/781426793.db2.gz SCLGFUDSMCSBNJ-QWHCGFSZSA-N 0 3 296.371 -1.104 20 0 CAADHN Cn1cncc1CC(=O)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001090728463 781427418 /nfs/dbraw/zinc/42/74/18/781427418.db2.gz SIWWKKHKTVWFLE-RYUDHWBXSA-N 0 3 282.344 -1.494 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2CC(=O)N(C)C2=O)[C@@H](O)C1 ZINC001090723906 781427469 /nfs/dbraw/zinc/42/74/69/781427469.db2.gz ZHUDXHMAVOSEQF-ZJUUUORDSA-N 0 3 298.343 -1.548 20 0 CAADHN COC(=O)CNC(=O)CN[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246307188 781428793 /nfs/dbraw/zinc/42/87/93/781428793.db2.gz DCUXTWVDNTYADA-IUCAKERBSA-N 0 3 287.316 -1.841 20 0 CAADHN Cc1nc[nH]c1CC(=O)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001090765051 781429458 /nfs/dbraw/zinc/42/94/58/781429458.db2.gz USMFARQUPTZZQF-PWSUYJOCSA-N 0 3 282.344 -1.196 20 0 CAADHN CCN1CC[C@@H](NC(=O)Cn2cncn2)[C@H](O)C1 ZINC001090791679 781430460 /nfs/dbraw/zinc/43/04/60/781430460.db2.gz UWTOUHFLMLLZFS-NXEZZACHSA-N 0 3 253.306 -1.151 20 0 CAADHN O=C(Cn1cncn1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001090789782 781431592 /nfs/dbraw/zinc/43/15/92/781431592.db2.gz IUDZJJHGKHYEHK-GHMZBOCLSA-N 0 3 283.332 -1.788 20 0 CAADHN COC(=O)[C@@H](N)CCN[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246335587 781431876 /nfs/dbraw/zinc/43/18/76/781431876.db2.gz RQRKVMARTRWPLJ-CIUDSAMLSA-N 0 3 259.306 -1.630 20 0 CAADHN COC(=O)[C@H](N)CCN[C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246335596 781432010 /nfs/dbraw/zinc/43/20/10/781432010.db2.gz RQRKVMARTRWPLJ-YIZRAAEISA-N 0 3 259.306 -1.630 20 0 CAADHN Cc1nccn1CC(=O)N[C@H]1CCN(CCO)C[C@H]1O ZINC001090808394 781432754 /nfs/dbraw/zinc/43/27/54/781432754.db2.gz KDECYUFQRMUYRZ-NWDGAFQWSA-N 0 3 282.344 -1.265 20 0 CAADHN CCN1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@H](O)C1 ZINC001090793349 781432860 /nfs/dbraw/zinc/43/28/60/781432860.db2.gz JAAZNHYWDFJCOX-DTWKUNHWSA-N 0 3 293.327 -1.240 20 0 CAADHN CCN1CC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H](O)C1 ZINC001090797117 781433477 /nfs/dbraw/zinc/43/34/77/781433477.db2.gz UEVBXDMGNOFGOF-ZJUUUORDSA-N 0 3 283.328 -1.293 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2ccc(=O)n(C)n2)[C@H](O)C1 ZINC001090792053 781433637 /nfs/dbraw/zinc/43/36/37/781433637.db2.gz ZOOYZTSWTMMHLQ-MWLCHTKSSA-N 0 3 280.328 -1.035 20 0 CAADHN CCN1CC[C@H](NC(=O)CN2C(=O)CN(C)C2=O)[C@H](O)C1 ZINC001090792137 781433796 /nfs/dbraw/zinc/43/37/96/781433796.db2.gz CPXMHTICDYTFQI-VHSXEESVSA-N 0 3 298.343 -1.548 20 0 CAADHN CCN1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](O)C1 ZINC001090806631 781433827 /nfs/dbraw/zinc/43/38/27/781433827.db2.gz VMQJUOTXDKIICS-VHSXEESVSA-N 0 3 296.327 -1.329 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2nccnc2C(N)=O)[C@H](O)C1 ZINC001090793353 781433919 /nfs/dbraw/zinc/43/39/19/781433919.db2.gz JAAZNHYWDFJCOX-RKDXNWHRSA-N 0 3 293.327 -1.240 20 0 CAADHN CCN1CC[C@H](NC(=O)c2nccnc2C(N)=O)[C@@H](O)C1 ZINC001090793351 781434048 /nfs/dbraw/zinc/43/40/48/781434048.db2.gz JAAZNHYWDFJCOX-IUCAKERBSA-N 0 3 293.327 -1.240 20 0 CAADHN Cc1nccn1CC(=O)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001090808396 781434209 /nfs/dbraw/zinc/43/42/09/781434209.db2.gz KDECYUFQRMUYRZ-VXGBXAGGSA-N 0 3 282.344 -1.265 20 0 CAADHN Cn1ccc(C(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)n1 ZINC001090816595 781434888 /nfs/dbraw/zinc/43/48/88/781434888.db2.gz PRXNGLFOUHEANL-JQWIXIFHSA-N 0 3 282.344 -1.033 20 0 CAADHN CCN1CC[C@@H](NC(=O)c2cn(CC(N)=O)nn2)[C@H](O)C1 ZINC001090832614 781435246 /nfs/dbraw/zinc/43/52/46/781435246.db2.gz FUSXTHMNJDXOMF-PSASIEDQSA-N 0 3 296.331 -2.052 20 0 CAADHN Cc1nonc1C(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001090842582 781436951 /nfs/dbraw/zinc/43/69/51/781436951.db2.gz BXHVSSBPIJRUQI-UWVGGRQHSA-N 0 3 284.316 -1.075 20 0 CAADHN O=C(Cn1ccnc1)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001090848404 781437162 /nfs/dbraw/zinc/43/71/62/781437162.db2.gz GCNFUHPCNXSELV-QWRGUYRKSA-N 0 3 268.317 -1.573 20 0 CAADHN COCCN(C)CCNC(=O)Cn1nnc(N)n1 ZINC001143622654 781437226 /nfs/dbraw/zinc/43/72/26/781437226.db2.gz UMSPPUYGQCGXAM-UHFFFAOYSA-N 0 3 257.298 -2.050 20 0 CAADHN Cc1nonc1C(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001090842584 781437243 /nfs/dbraw/zinc/43/72/43/781437243.db2.gz BXHVSSBPIJRUQI-ZJUUUORDSA-N 0 3 284.316 -1.075 20 0 CAADHN COCCn1cc(C(=O)NCCNCC(N)=O)cn1 ZINC001149338720 781437388 /nfs/dbraw/zinc/43/73/88/781437388.db2.gz IRNPVHUKXWLIMD-UHFFFAOYSA-N 0 3 269.305 -1.666 20 0 CAADHN C[C@H]1C(=O)NCCN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001160451598 781440224 /nfs/dbraw/zinc/44/02/24/781440224.db2.gz RLHNCZQBUGXHPC-DTWKUNHWSA-N 0 3 268.317 -2.336 20 0 CAADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCN(C(N)=O)CC1 ZINC001160456285 781440284 /nfs/dbraw/zinc/44/02/84/781440284.db2.gz FSDSBZPJXPJBRV-ONGXEEELSA-N 0 3 299.375 -1.301 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N[C@H]2[C@H](O)CCC[C@@H]2O)CN1 ZINC001246525772 781441244 /nfs/dbraw/zinc/44/12/44/781441244.db2.gz NYCBFBSJCYEYIV-LADJIXMOSA-N 0 3 258.318 -1.246 20 0 CAADHN C[C@H](O)CN1CCCO[C@H](CNC(=O)Cn2cnnn2)C1 ZINC001149144772 781442066 /nfs/dbraw/zinc/44/20/66/781442066.db2.gz TWGKQIGEYBKWIC-WDEREUQCSA-N 0 3 298.347 -1.739 20 0 CAADHN CN(C)C1(C)CN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001144333182 781450313 /nfs/dbraw/zinc/45/03/13/781450313.db2.gz QFDQBIFYDADPFR-ZETCQYMHSA-N 0 3 254.290 -1.253 20 0 CAADHN COc1c(C(=O)NCCN[C@@H](C)C(N)=O)cnn1C ZINC001149202272 781452488 /nfs/dbraw/zinc/45/24/88/781452488.db2.gz MTUBVSIBELQKQW-ZETCQYMHSA-N 0 3 269.305 -1.378 20 0 CAADHN COc1c(C(=O)NCCNCC(N)=O)cnn1C ZINC001149202659 781455117 /nfs/dbraw/zinc/45/51/17/781455117.db2.gz QLEFCTHSQQEXPF-UHFFFAOYSA-N 0 3 255.278 -1.767 20 0 CAADHN NC(=O)C[NH2+]C1CC(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001091089390 781456210 /nfs/dbraw/zinc/45/62/10/781456210.db2.gz WHBAVOQWEXQYRX-UHFFFAOYSA-N 0 3 279.300 -1.235 20 0 CAADHN Cn1ccc(=O)c(C(=O)NCC2CC(NCC(N)=O)C2)c1 ZINC001091135995 781456221 /nfs/dbraw/zinc/45/62/21/781456221.db2.gz MLSZGXMVYXIUHE-UHFFFAOYSA-N 0 3 292.339 -1.031 20 0 CAADHN C[C@H]([NH2+]CCCNC(=O)c1cnc[n-]c1=O)C(N)=O ZINC001160639687 781458575 /nfs/dbraw/zinc/45/85/75/781458575.db2.gz GJBWAXZSSLOBFX-ZETCQYMHSA-N 0 3 267.289 -1.235 20 0 CAADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001160705198 781463685 /nfs/dbraw/zinc/46/36/85/781463685.db2.gz USKYJCOFYYYGTA-SFYZADRCSA-N 0 3 287.320 -2.525 20 0 CAADHN CN1CC[C@@H](CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001144906407 781473784 /nfs/dbraw/zinc/47/37/84/781473784.db2.gz FBPKICHWWZFMOX-SGIHWFKDSA-N 0 3 290.316 -3.302 20 0 CAADHN CCN(CC)CCNC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144892531 781474009 /nfs/dbraw/zinc/47/40/09/781474009.db2.gz IZZVMUZNHBOFMM-IVZWLZJFSA-N 0 3 292.332 -2.912 20 0 CAADHN CN1CCN(CCCNC(=O)CSCC(N)=O)CC1 ZINC000042389394 781476560 /nfs/dbraw/zinc/47/65/60/781476560.db2.gz ZNLCQFSHIDHODV-UHFFFAOYSA-N 0 3 288.417 -1.041 20 0 CAADHN COC(=O)[C@@H]1C[C@H](N2CCNC(=O)C23CNC3)CN1 ZINC001246637881 781479011 /nfs/dbraw/zinc/47/90/11/781479011.db2.gz QAFGZINNVPIOGI-IUCAKERBSA-N 0 3 268.317 -2.336 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2C[C@H]3CNC[C@@H](C2)O3)CN1 ZINC001246680963 781480588 /nfs/dbraw/zinc/48/05/88/781480588.db2.gz YFWXZEUMUZBTSM-ZNSHCXBVSA-N 0 3 255.318 -1.438 20 0 CAADHN CNC(=O)CNCCNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC001149106125 781480819 /nfs/dbraw/zinc/48/08/19/781480819.db2.gz ZJJXOVGXIJOWFM-JTQLQIEISA-N 0 3 284.360 -1.113 20 0 CAADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCn2nncc2C1 ZINC001160832188 781480899 /nfs/dbraw/zinc/48/08/99/781480899.db2.gz HGQAYSMDUAPQHM-JTQLQIEISA-N 0 3 278.316 -2.049 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)COCc1nncn1C ZINC001146209191 781481607 /nfs/dbraw/zinc/48/16/07/781481607.db2.gz YAZCULUQIQGDPN-VIFPVBQESA-N 0 3 298.347 -1.828 20 0 CAADHN Cn1ncnc1COCC(=O)NCCNCC(N)=O ZINC001146190605 781481813 /nfs/dbraw/zinc/48/18/13/781481813.db2.gz IMVMVJMTBUVBFW-UHFFFAOYSA-N 0 3 270.293 -2.477 20 0 CAADHN CC[C@H](NCCNC(=O)COCc1nncn1C)C(N)=O ZINC001146209526 781482369 /nfs/dbraw/zinc/48/23/69/781482369.db2.gz ZDCCJEVBLBCHOG-VIFPVBQESA-N 0 3 298.347 -1.699 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)COCc1nncn1C ZINC001146208055 781482430 /nfs/dbraw/zinc/48/24/30/781482430.db2.gz GIQZDTHRNHGBHU-UHFFFAOYSA-N 0 3 298.347 -1.874 20 0 CAADHN CC[C@H](NCCNC(=O)Cc1nonc1C)C(N)=O ZINC001146243921 781483164 /nfs/dbraw/zinc/48/31/64/781483164.db2.gz BPEOHROZEAKAPF-QMMMGPOBSA-N 0 3 269.305 -1.110 20 0 CAADHN Cc1nonc1CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001146239572 781483749 /nfs/dbraw/zinc/48/37/49/781483749.db2.gz WAIHOYMVUWOVGF-QMMMGPOBSA-N 0 3 295.299 -1.568 20 0 CAADHN COc1cccc(C(=O)NCCNCC(=O)NC(N)=O)n1 ZINC001146364436 781483818 /nfs/dbraw/zinc/48/38/18/781483818.db2.gz TXGGLYUMQLMAKV-UHFFFAOYSA-N 0 3 295.299 -1.396 20 0 CAADHN Cc1nonc1CC(=O)NCCNCC(=O)NC1CC1 ZINC001146251004 781483950 /nfs/dbraw/zinc/48/39/50/781483950.db2.gz GWXRCVSVYYXUCW-UHFFFAOYSA-N 0 3 281.316 -1.095 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1cnc(OC)nc1 ZINC001146509304 781485007 /nfs/dbraw/zinc/48/50/07/781485007.db2.gz OPMFAALGFGHVEJ-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)c1oncc1C ZINC001146495202 781485085 /nfs/dbraw/zinc/48/50/85/781485085.db2.gz WGRMQUYMXMMIEB-UHFFFAOYSA-N 0 3 283.288 -1.242 20 0 CAADHN COc1ncc(C(=O)NCCN[C@H]2CCNC2=O)cn1 ZINC001146500565 781485199 /nfs/dbraw/zinc/48/51/99/781485199.db2.gz IITZDPVQOQOOCZ-VIFPVBQESA-N 0 3 279.300 -1.307 20 0 CAADHN COc1ncc(C(=O)NCCN[C@H](C)C(N)=O)cn1 ZINC001146500585 781485935 /nfs/dbraw/zinc/48/59/35/781485935.db2.gz IUFQXHJYNLMBJJ-SSDOTTSWSA-N 0 3 267.289 -1.322 20 0 CAADHN CN1CCC[C@H]2CN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)C[C@@H]21 ZINC001146621325 781488397 /nfs/dbraw/zinc/48/83/97/781488397.db2.gz MBTAJOHRLINFAM-DDNMXHNFSA-N 0 3 296.367 -1.048 20 0 CAADHN CNC(=O)CNCCNC(=O)CN1C(=O)NC(=O)C1(C)C ZINC001146661392 781489523 /nfs/dbraw/zinc/48/95/23/781489523.db2.gz XWIYBMPORPDJKT-UHFFFAOYSA-N 0 3 299.331 -2.231 20 0 CAADHN CN1CCC[C@@](C)(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC001146632158 781490430 /nfs/dbraw/zinc/49/04/30/781490430.db2.gz LRXNFDVBWCFKPU-HKUMRIAESA-N 0 3 284.356 -1.000 20 0 CAADHN COc1ccc(C(=O)NCCN[C@@H](C)C(N)=O)nn1 ZINC001146668482 781490655 /nfs/dbraw/zinc/49/06/55/781490655.db2.gz PZXAEXYWXWJPQP-ZETCQYMHSA-N 0 3 267.289 -1.322 20 0 CAADHN COc1ccc(C(=O)NCCN[C@@H]2CCNC2=O)nn1 ZINC001146668514 781490778 /nfs/dbraw/zinc/49/07/78/781490778.db2.gz RTAYNBVDHFXOHY-MRVPVSSYSA-N 0 3 279.300 -1.307 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)c1ccc(OC)nn1 ZINC001146672111 781490825 /nfs/dbraw/zinc/49/08/25/781490825.db2.gz IDJMBNICZHCOLM-QMMMGPOBSA-N 0 3 281.316 -1.061 20 0 CAADHN CN1CCC[C@](C)(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C1 ZINC001146632156 781490911 /nfs/dbraw/zinc/49/09/11/781490911.db2.gz LRXNFDVBWCFKPU-BYNQJWBRSA-N 0 3 284.356 -1.000 20 0 CAADHN COc1ccc(C(=O)NCCNCC(=O)NC(N)=O)nn1 ZINC001146668451 781491048 /nfs/dbraw/zinc/49/10/48/781491048.db2.gz ORVHDSXESGVKNQ-UHFFFAOYSA-N 0 3 296.287 -2.001 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)c1ccc(OC)nn1 ZINC001146672109 781491154 /nfs/dbraw/zinc/49/11/54/781491154.db2.gz IDJMBNICZHCOLM-MRVPVSSYSA-N 0 3 281.316 -1.061 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCCn1cncn1 ZINC001146797088 781492146 /nfs/dbraw/zinc/49/21/46/781492146.db2.gz XKBOJKJFOUABMZ-SNVBAGLBSA-N 0 3 282.348 -1.101 20 0 CAADHN NC(=O)CNCCNC(=O)CCCn1cncn1 ZINC001146796375 781492238 /nfs/dbraw/zinc/49/22/38/781492238.db2.gz SHQGXOKFOQGBES-UHFFFAOYSA-N 0 3 254.294 -1.751 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)CCCn1cncn1 ZINC001146795870 781492423 /nfs/dbraw/zinc/49/24/23/781492423.db2.gz NRYFEEDAXACZOG-UHFFFAOYSA-N 0 3 282.348 -1.148 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CCCn2cncn2)C1=O ZINC001146801105 781492533 /nfs/dbraw/zinc/49/25/33/781492533.db2.gz DSJAAQDWMCMFEE-NSHDSACASA-N 0 3 294.359 -1.005 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)CCCn1cncn1 ZINC001146795043 781492790 /nfs/dbraw/zinc/49/27/90/781492790.db2.gz CCEUNHIQLZWHBL-UHFFFAOYSA-N 0 3 297.319 -2.041 20 0 CAADHN CNC(=O)CNCCNC(=O)CCCn1cncn1 ZINC001146796330 781492905 /nfs/dbraw/zinc/49/29/05/781492905.db2.gz QKVBFYMLKVCBKK-UHFFFAOYSA-N 0 3 268.321 -1.490 20 0 CAADHN Cc1conc1C(=O)NCCNCC(=O)NC(N)=O ZINC001146837881 781492949 /nfs/dbraw/zinc/49/29/49/781492949.db2.gz BCOKPHLTVFTFMG-UHFFFAOYSA-N 0 3 269.261 -1.503 20 0 CAADHN CCC(=O)N1CC[C@H](C(=O)NCCN[C@@H](C)C(N)=O)C1 ZINC001146903095 781493657 /nfs/dbraw/zinc/49/36/57/781493657.db2.gz RNPKSLUCTASFQY-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)c1cscn1 ZINC001146912144 781493864 /nfs/dbraw/zinc/49/38/64/781493864.db2.gz PWZFAJDNDDPZER-UHFFFAOYSA-N 0 3 299.356 -1.675 20 0 CAADHN NC(=O)CNCCNC(=O)CN1CCC(=O)NC1=O ZINC001146877840 781494079 /nfs/dbraw/zinc/49/40/79/781494079.db2.gz BAODUYHTKWBMEQ-UHFFFAOYSA-N 0 3 271.277 -2.881 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CN1CCC(=O)NC1=O ZINC001146878820 781494089 /nfs/dbraw/zinc/49/40/89/781494089.db2.gz MENAHSCZTRFASQ-MRVPVSSYSA-N 0 3 299.331 -2.231 20 0 CAADHN CCC(=O)N1CC[C@H](C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001146901393 781494414 /nfs/dbraw/zinc/49/44/14/781494414.db2.gz CMPZKQQBILXQGJ-WDEREUQCSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CN1CCC(=O)NC1=O ZINC001146878821 781494524 /nfs/dbraw/zinc/49/45/24/781494524.db2.gz MENAHSCZTRFASQ-QMMMGPOBSA-N 0 3 299.331 -2.231 20 0 CAADHN C[C@@H](NCCNC(=O)CNC(=O)c1cscn1)C(N)=O ZINC001146918342 781496113 /nfs/dbraw/zinc/49/61/13/781496113.db2.gz DUBBXIJWBSNPQY-SSDOTTSWSA-N 0 3 299.356 -1.548 20 0 CAADHN CC(=O)N1CC[C@](C)(C(=O)NCCN[C@H](C)C(N)=O)C1 ZINC001146987479 781496149 /nfs/dbraw/zinc/49/61/49/781496149.db2.gz YTKQMRAQWNFMOU-RNCFNFMXSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001146987427 781496276 /nfs/dbraw/zinc/49/62/76/781496276.db2.gz XPYOVYDINABVDH-ZDUSSCGKSA-N 0 3 284.360 -1.303 20 0 CAADHN CC(=O)NCC(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001146915374 781496342 /nfs/dbraw/zinc/49/63/42/781496342.db2.gz YTQKHEQRIYKSMS-UHFFFAOYSA-N 0 3 299.371 -1.334 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1C[C@]12CCOC2 ZINC001147003842 781497098 /nfs/dbraw/zinc/49/70/98/781497098.db2.gz ONZAZOQADAWAQJ-SKDRFNHKSA-N 0 3 255.318 -1.135 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC001147003841 781497291 /nfs/dbraw/zinc/49/72/91/781497291.db2.gz ONZAZOQADAWAQJ-JOYOIKCWSA-N 0 3 255.318 -1.135 20 0 CAADHN CNC(=O)CNCCNC(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001147016085 781498734 /nfs/dbraw/zinc/49/87/34/781498734.db2.gz QUURORSMAMYDTJ-SECBINFHSA-N 0 3 296.331 -1.695 20 0 CAADHN COCCC[C@H](C)C(=O)NCCNCC(=O)NC(N)=O ZINC001147031897 781498852 /nfs/dbraw/zinc/49/88/52/781498852.db2.gz IVUHEBGLYTZNDI-VIFPVBQESA-N 0 3 288.348 -1.050 20 0 CAADHN CCNC(=O)CNCCNC(=O)CC(=O)NCC1CC1 ZINC001147083780 781499109 /nfs/dbraw/zinc/49/91/09/781499109.db2.gz AOAUOROPUZDFAK-UHFFFAOYSA-N 0 3 284.360 -1.255 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC001147011493 781499159 /nfs/dbraw/zinc/49/91/59/781499159.db2.gz XTRHAUWMLOOTLA-UFBFGSQYSA-N 0 3 284.316 -1.686 20 0 CAADHN O=C(CC(=O)NCC1CC1)NCCN[C@@H]1CCCNC1=O ZINC001147084147 781499593 /nfs/dbraw/zinc/49/95/93/781499593.db2.gz JGZVBZWGSLYNQL-LLVKDONJSA-N 0 3 296.371 -1.113 20 0 CAADHN CNC(=O)CNCCNC(=O)CC(=O)NCC1CC1 ZINC001147080794 781499931 /nfs/dbraw/zinc/49/99/31/781499931.db2.gz PRSRXEOWAOIYQW-UHFFFAOYSA-N 0 3 270.333 -1.646 20 0 CAADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)NCCNCCF ZINC001147051166 781500029 /nfs/dbraw/zinc/50/00/29/781500029.db2.gz PUAJVAAICRLMMY-QMMMGPOBSA-N 0 3 287.299 -2.147 20 0 CAADHN COCCCOCC(=O)NCCNCC(=O)N1CCC1 ZINC001147062691 781500104 /nfs/dbraw/zinc/50/01/04/781500104.db2.gz SZVFLXPFZHQFQT-UHFFFAOYSA-N 0 3 287.360 -1.022 20 0 CAADHN COCCCn1cc(C(=O)NCCNCC(N)=O)cn1 ZINC001147056430 781500484 /nfs/dbraw/zinc/50/04/84/781500484.db2.gz TYCNMKFTIURROY-UHFFFAOYSA-N 0 3 283.332 -1.276 20 0 CAADHN CNC(=O)CNCCNC(=O)CCOCCCOC ZINC001147065862 781500743 /nfs/dbraw/zinc/50/07/43/781500743.db2.gz ZRCOIIHYZUXPST-UHFFFAOYSA-N 0 3 275.349 -1.119 20 0 CAADHN C[C@@H](NCCNC(=O)CCCCC(N)=O)C(N)=O ZINC001147118792 781500761 /nfs/dbraw/zinc/50/07/61/781500761.db2.gz BMAXUHKZNXIMLJ-MRVPVSSYSA-N 0 3 258.322 -1.388 20 0 CAADHN COCCCOCC(=O)NCCN[C@H]1CCN(C)C1=O ZINC001147063764 781500858 /nfs/dbraw/zinc/50/08/58/781500858.db2.gz CXJOKQDXNUBSLJ-NSHDSACASA-N 0 3 287.360 -1.024 20 0 CAADHN COCCCOCCC(=O)NCCNCC(N)=O ZINC001147069576 781500913 /nfs/dbraw/zinc/50/09/13/781500913.db2.gz ISTPQMJQDZCCDD-UHFFFAOYSA-N 0 3 261.322 -1.379 20 0 CAADHN COCCCOCC(=O)NCCNCC(=O)N(C)C ZINC001147061474 781501064 /nfs/dbraw/zinc/50/10/64/781501064.db2.gz BKJHHYOJGXQRJR-UHFFFAOYSA-N 0 3 275.349 -1.167 20 0 CAADHN COCCCOCC(=O)NCCN[C@H]1CCNC1=O ZINC001147061405 781501219 /nfs/dbraw/zinc/50/12/19/781501219.db2.gz AYQBWRDULQXEBQ-JTQLQIEISA-N 0 3 273.333 -1.366 20 0 CAADHN NC(=O)CCCCC(=O)NCCNCC(=O)NC(N)=O ZINC001147119036 781501283 /nfs/dbraw/zinc/50/12/83/781501283.db2.gz JLQSYJZFWYPIGC-UHFFFAOYSA-N 0 3 287.320 -2.067 20 0 CAADHN NC(=O)CCCCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001147123908 781501910 /nfs/dbraw/zinc/50/19/10/781501910.db2.gz VONLTDHZKFIPCA-VIFPVBQESA-N 0 3 298.343 -1.457 20 0 CAADHN NC(=O)CCCCC(=O)NCCN[C@H]1CCNC1=O ZINC001147119172 781501931 /nfs/dbraw/zinc/50/19/31/781501931.db2.gz OQDHMFUGQIAKFB-VIFPVBQESA-N 0 3 270.333 -1.374 20 0 CAADHN C[C@H](CC(=O)NCCNCC(=O)NC(N)=O)n1cccn1 ZINC001147103865 781502024 /nfs/dbraw/zinc/50/20/24/781502024.db2.gz MWOHIPDFWAPTPE-SECBINFHSA-N 0 3 296.331 -1.265 20 0 CAADHN CC[C@@H](NCCNC(=O)C(=O)N1CC[C@@H](C)C1)C(N)=O ZINC001147195088 781502876 /nfs/dbraw/zinc/50/28/76/781502876.db2.gz CVXAYXJYYMYDOG-NXEZZACHSA-N 0 3 284.360 -1.176 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)CCCCC(N)=O ZINC001147123596 781502905 /nfs/dbraw/zinc/50/29/05/781502905.db2.gz QLVMJDWDCVTXSY-VIFPVBQESA-N 0 3 272.349 -1.128 20 0 CAADHN NC(=O)CCCCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001147123907 781503118 /nfs/dbraw/zinc/50/31/18/781503118.db2.gz VONLTDHZKFIPCA-SECBINFHSA-N 0 3 298.343 -1.457 20 0 CAADHN CCc1noc(COCC(=O)NCCN[C@H](C)C(N)=O)n1 ZINC001147257984 781504151 /nfs/dbraw/zinc/50/41/51/781504151.db2.gz QLYHLWMYPUTJAU-MRVPVSSYSA-N 0 3 299.331 -1.272 20 0 CAADHN CCNC(=O)CNCCNC(=O)C1(C(=O)N(C)C)CC1 ZINC001147300964 781504342 /nfs/dbraw/zinc/50/43/42/781504342.db2.gz GWDHLBSUEVHXPT-UHFFFAOYSA-N 0 3 284.360 -1.303 20 0 CAADHN COCCCNC(=O)CCC(=O)NCCNCC(N)=O ZINC001147295526 781504462 /nfs/dbraw/zinc/50/44/62/781504462.db2.gz PIWSYIYCJTZFJE-UHFFFAOYSA-N 0 3 288.348 -1.890 20 0 CAADHN CNC(=O)CNCCNC(=O)C1(C(=O)N(C)C)CC1 ZINC001147301354 781504607 /nfs/dbraw/zinc/50/46/07/781504607.db2.gz VIYBLLGTNOHWCE-UHFFFAOYSA-N 0 3 270.333 -1.693 20 0 CAADHN CNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nnc[n-]1 ZINC001147264241 781505464 /nfs/dbraw/zinc/50/54/64/781505464.db2.gz FUOQHKUVZALXBO-ZETCQYMHSA-N 0 3 254.294 -1.813 20 0 CAADHN CC(=O)[C@@H]1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)C1 ZINC001161034201 781505483 /nfs/dbraw/zinc/50/54/83/781505483.db2.gz CMPBSSKKQUFSCD-MNOVXSKESA-N 0 3 267.329 -1.246 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nnc[n-]1 ZINC001147271895 781505521 /nfs/dbraw/zinc/50/55/21/781505521.db2.gz XALVGHBBVYPUJD-SSDOTTSWSA-N 0 3 297.319 -2.103 20 0 CAADHN CC[C@@H]([NH2+]CCNC(=O)Cc1nnc[n-]1)C(N)=O ZINC001147271915 781506084 /nfs/dbraw/zinc/50/60/84/781506084.db2.gz XMSSDJSMRIGSKD-SSDOTTSWSA-N 0 3 254.294 -1.683 20 0 CAADHN CNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1nnc[n-]1 ZINC001147264239 781506150 /nfs/dbraw/zinc/50/61/50/781506150.db2.gz FUOQHKUVZALXBO-SSDOTTSWSA-N 0 3 254.294 -1.813 20 0 CAADHN NC(=O)CC(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001147274181 781506403 /nfs/dbraw/zinc/50/64/03/781506403.db2.gz JEWODOBEEVXYFT-UHFFFAOYSA-N 0 3 285.344 -1.595 20 0 CAADHN C[C@@H]([NH2+]CCNC(=O)Cc1nnc[n-]1)C(=O)NC(N)=O ZINC001147271618 781506509 /nfs/dbraw/zinc/50/65/09/781506509.db2.gz LBQLDKKNLRSHRJ-ZCFIWIBFSA-N 0 3 283.292 -2.364 20 0 CAADHN CCCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1nnc[n-]1 ZINC001147271494 781506713 /nfs/dbraw/zinc/50/67/13/781506713.db2.gz GJXCYJYQYKYHNG-VIFPVBQESA-N 0 3 282.348 -1.032 20 0 CAADHN CN(C)C(=O)C1(C(=O)NCCN[C@@H]2CCN(C)C2=O)CC1 ZINC001147313929 781506968 /nfs/dbraw/zinc/50/69/68/781506968.db2.gz HNSJPRIRNOSEPX-SNVBAGLBSA-N 0 3 296.371 -1.209 20 0 CAADHN O=C(Cc1nnc[n-]1)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001147277873 781507255 /nfs/dbraw/zinc/50/72/55/781507255.db2.gz OTRJSWPBFZYICL-SSDOTTSWSA-N 0 3 280.288 -2.142 20 0 CAADHN O=C(Cc1nnc[n-]1)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001147277874 781507888 /nfs/dbraw/zinc/50/78/88/781507888.db2.gz OTRJSWPBFZYICL-ZETCQYMHSA-N 0 3 280.288 -2.142 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)C1(C(=O)N(C)C)CC1 ZINC001147308302 781507979 /nfs/dbraw/zinc/50/79/79/781507979.db2.gz UQRNNFNHMVACAM-SECBINFHSA-N 0 3 284.360 -1.305 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C1(C(=O)N(C)C)CC1 ZINC001147308305 781508201 /nfs/dbraw/zinc/50/82/01/781508201.db2.gz UQRNNFNHMVACAM-VIFPVBQESA-N 0 3 284.360 -1.305 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCCCN1C(N)=O ZINC001147321055 781508596 /nfs/dbraw/zinc/50/85/96/781508596.db2.gz MOCIVDXAPXQRJT-QMMMGPOBSA-N 0 3 271.321 -1.889 20 0 CAADHN CCn1cc(CC(=O)NCCNCC(=O)NC)cn1 ZINC001147369512 781508945 /nfs/dbraw/zinc/50/89/45/781508945.db2.gz YSGBHOKDSNITCV-UHFFFAOYSA-N 0 3 267.333 -1.103 20 0 CAADHN CC[C@H](NCCNC(=O)[C@@H]1CCCCN1C(N)=O)C(N)=O ZINC001147322005 781509055 /nfs/dbraw/zinc/50/90/55/781509055.db2.gz VBWIAHCFTGCNFW-UWVGGRQHSA-N 0 3 299.375 -1.111 20 0 CAADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCCNCCF ZINC001147364022 781509178 /nfs/dbraw/zinc/50/91/78/781509178.db2.gz PUAJVAAICRLMMY-MRVPVSSYSA-N 0 3 287.299 -2.147 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCCCN1C(N)=O)C(N)=O ZINC001147322006 781509323 /nfs/dbraw/zinc/50/93/23/781509323.db2.gz VBWIAHCFTGCNFW-VHSXEESVSA-N 0 3 299.375 -1.111 20 0 CAADHN CC(=O)N[C@@](C)(C(=O)NCCNCC(N)=O)C1CC1 ZINC001147466139 781510563 /nfs/dbraw/zinc/51/05/63/781510563.db2.gz FBXLASXUSBQXBH-GFCCVEGCSA-N 0 3 270.333 -1.518 20 0 CAADHN CCn1cc(CC(=O)NCCNCC(N)=O)cn1 ZINC001147388028 781510755 /nfs/dbraw/zinc/51/07/55/781510755.db2.gz HTQMEQUVFKRWMB-UHFFFAOYSA-N 0 3 253.306 -1.363 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@](C)(NC(C)=O)C1CC1 ZINC001147461507 781510891 /nfs/dbraw/zinc/51/08/91/781510891.db2.gz YPXJTCCZELIDHY-CYBMUJFWSA-N 0 3 284.360 -1.257 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CC(N3CCN(C)CC3)C2)CN1 ZINC001246930413 781510968 /nfs/dbraw/zinc/51/09/68/781510968.db2.gz ADZWMNBRHAGGEA-YPMHNXCESA-N 0 3 282.388 -1.179 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc(N2CCCC2)nn1 ZINC001147428642 781511098 /nfs/dbraw/zinc/51/10/98/781511098.db2.gz HHSPKLIZHWOEKC-UHFFFAOYSA-N 0 3 292.343 -1.119 20 0 CAADHN COCc1nocc1C(=O)NCCNCC(=O)NC(N)=O ZINC001147551678 781513279 /nfs/dbraw/zinc/51/32/79/781513279.db2.gz PIYXGDVXLPJNSJ-UHFFFAOYSA-N 0 3 299.287 -1.665 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCCCN(C)C1=O)C(N)=O ZINC001147634601 781515370 /nfs/dbraw/zinc/51/53/70/781515370.db2.gz OOUSUVTVQDWIGX-UWVGGRQHSA-N 0 3 284.360 -1.176 20 0 CAADHN C[C@H](CC(=O)NCCNCC(N)=O)N1CCCC1=O ZINC001147606876 781515621 /nfs/dbraw/zinc/51/56/21/781515621.db2.gz QZHFJMYGEINZDD-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN Cc1nc[nH]c1CC(=O)NCCN[C@H]1CCNC1=O ZINC001149124972 781515987 /nfs/dbraw/zinc/51/59/87/781515987.db2.gz ZDXWFVGWBHUVEA-VIFPVBQESA-N 0 3 265.317 -1.145 20 0 CAADHN C[C@H](CC(=O)NCCN[C@@H](C)C(N)=O)N1CCCC1=O ZINC001147606575 781515728 /nfs/dbraw/zinc/51/57/28/781515728.db2.gz OTOQSVFNMFBPMG-ZJUUUORDSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@@H](NCCNC(=O)C[C@H](C)N1CCCC1=O)C(N)=O ZINC001147606574 781515872 /nfs/dbraw/zinc/51/58/72/781515872.db2.gz OTOQSVFNMFBPMG-VHSXEESVSA-N 0 3 284.360 -1.033 20 0 CAADHN C[C@H](NCCNC(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001147643960 781515912 /nfs/dbraw/zinc/51/59/12/781515912.db2.gz AONXNTITIPALTJ-ZETCQYMHSA-N 0 3 285.304 -2.540 20 0 CAADHN CN1C(=O)CN(CC(=O)NCCN[C@H]2CCNC2=O)C1=O ZINC001147645653 781515968 /nfs/dbraw/zinc/51/59/68/781515968.db2.gz XZNVIIZTVLRGCN-QMMMGPOBSA-N 0 3 297.315 -2.525 20 0 CAADHN C[C@H](CC(=O)NCCN[C@@H]1CCNC1=O)N1CCCC1=O ZINC001147606849 781516010 /nfs/dbraw/zinc/51/60/10/781516010.db2.gz QOKVYCNDDPBOKV-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NCCNC(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001147643959 781516156 /nfs/dbraw/zinc/51/61/56/781516156.db2.gz AONXNTITIPALTJ-SSDOTTSWSA-N 0 3 285.304 -2.540 20 0 CAADHN COCCN1CC[C@@H](NC(=O)C(C)(C)C(N)=O)[C@H](O)C1 ZINC001099888306 781516362 /nfs/dbraw/zinc/51/63/62/781516362.db2.gz SLJVBSAPMLQBAI-NXEZZACHSA-N 0 3 287.360 -1.304 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001147680364 781517078 /nfs/dbraw/zinc/51/70/78/781517078.db2.gz WLKZCWUUGBKFJM-MRVPVSSYSA-N 0 3 265.317 -1.294 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001147671325 781517335 /nfs/dbraw/zinc/51/73/35/781517335.db2.gz JPQRZPCHGVKQNZ-VIFPVBQESA-N 0 3 279.344 -1.034 20 0 CAADHN NC(=O)CNCCNC(=O)c1cccn2c(=O)[nH]nc12 ZINC001147649910 781517440 /nfs/dbraw/zinc/51/74/40/781517440.db2.gz GXXMUSDMDNFEBE-UHFFFAOYSA-N 0 3 278.272 -1.760 20 0 CAADHN CC[C@H](NCCNC(=O)CN1CC(=O)N(C)C1=O)C(N)=O ZINC001147651238 781519294 /nfs/dbraw/zinc/51/92/94/781519294.db2.gz YFISVSCHMPKSBI-QMMMGPOBSA-N 0 3 299.331 -2.150 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001147778666 781521363 /nfs/dbraw/zinc/52/13/63/781521363.db2.gz QKWYPYSKOXIZOE-VIFPVBQESA-N 0 3 287.364 -1.479 20 0 CAADHN NC(=O)CNCCNC(=O)CCc1ccccc1C(N)=O ZINC001147813494 781522118 /nfs/dbraw/zinc/52/21/18/781522118.db2.gz JOHSKJUDYFIXHV-UHFFFAOYSA-N 0 3 292.339 -1.091 20 0 CAADHN C[C@H](NCCNC(=O)[C@H](NC(N)=O)C(C)(C)C)C(N)=O ZINC001147786466 781522652 /nfs/dbraw/zinc/52/26/52/781522652.db2.gz FHXOYTOLIPMJJP-YUMQZZPRSA-N 0 3 287.364 -1.351 20 0 CAADHN COC(=O)[C@@H]1C[C@@H](N2CC[C@]3(C2)CNCCO3)CN1 ZINC001246988462 781522948 /nfs/dbraw/zinc/52/29/48/781522948.db2.gz PWVQMKPJOXTXSA-NTZNESFSSA-N 0 3 269.345 -1.046 20 0 CAADHN CC(C)(C)[C@H](NC(N)=O)C(=O)NCCN[C@H]1CCNC1=O ZINC001147786414 781523129 /nfs/dbraw/zinc/52/31/29/781523129.db2.gz CYPKPVDNLCLGDG-DTWKUNHWSA-N 0 3 299.375 -1.336 20 0 CAADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)Cc1nc[nH]n1 ZINC001147890667 781523312 /nfs/dbraw/zinc/52/33/12/781523312.db2.gz IFGSMVCVWBHXQM-VIFPVBQESA-N 0 3 280.332 -1.197 20 0 CAADHN CCNC(=O)CNCCNC(=O)Cc1cncn1C ZINC001147871611 781524273 /nfs/dbraw/zinc/52/42/73/781524273.db2.gz DYCZFTKLGOMPMC-UHFFFAOYSA-N 0 3 267.333 -1.196 20 0 CAADHN CC(C)(C(=O)NCCNCC(N)=O)c1c[nH]cn1 ZINC001147914602 781525018 /nfs/dbraw/zinc/52/50/18/781525018.db2.gz BIBFMCBMIPEPNQ-UHFFFAOYSA-N 0 3 253.306 -1.122 20 0 CAADHN Cn1cncc1CC(=O)NCCNCC(=O)NC1CC1 ZINC001147871528 781525202 /nfs/dbraw/zinc/52/52/02/781525202.db2.gz AMVSNTGUKXLAEG-UHFFFAOYSA-N 0 3 279.344 -1.053 20 0 CAADHN Cn1cncc1CC(=O)NCCNCCS(C)(=O)=O ZINC001147871664 781525222 /nfs/dbraw/zinc/52/52/22/781525222.db2.gz HGLUNAXNYMOVHT-UHFFFAOYSA-N 0 3 288.373 -1.287 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)Cc1cncn1C ZINC001147871846 781525239 /nfs/dbraw/zinc/52/52/39/781525239.db2.gz OSGVXQJQIMPNPF-UHFFFAOYSA-N 0 3 267.333 -1.243 20 0 CAADHN C[C@H](NCCNC(=O)Cc1cncn1C)C(N)=O ZINC001147871850 781525499 /nfs/dbraw/zinc/52/54/99/781525499.db2.gz OUVIPXAQPMFAJD-QMMMGPOBSA-N 0 3 253.306 -1.458 20 0 CAADHN Cn1cncc1CC(=O)NCCNCc1nc(=O)n(C)[nH]1 ZINC001147900515 781525519 /nfs/dbraw/zinc/52/55/19/781525519.db2.gz PDPBFCLCTIMVKE-UHFFFAOYSA-N 0 3 293.331 -1.710 20 0 CAADHN CNC(=O)CNCCNC(=O)Cc1cncn1C ZINC001147871922 781525688 /nfs/dbraw/zinc/52/56/88/781525688.db2.gz RZSVZJUZXQWXLU-UHFFFAOYSA-N 0 3 253.306 -1.586 20 0 CAADHN CN(C)c1ccc(C(=O)NCCN[C@H]2CCNC2=O)nn1 ZINC001148121657 781526223 /nfs/dbraw/zinc/52/62/23/781526223.db2.gz MUGBCZHJWHTDFD-VIFPVBQESA-N 0 3 292.343 -1.250 20 0 CAADHN CN(C)c1ccc(C(=O)NCCNCC(N)=O)nn1 ZINC001148121224 781526258 /nfs/dbraw/zinc/52/62/58/781526258.db2.gz JVHBAPFAPQPZAE-UHFFFAOYSA-N 0 3 266.305 -1.653 20 0 CAADHN CCn1cnc(C(=O)NCCNCC(=O)NC(N)=O)c1 ZINC001148033205 781526336 /nfs/dbraw/zinc/52/63/36/781526336.db2.gz HZSSPASNDFTVQA-UHFFFAOYSA-N 0 3 282.304 -1.583 20 0 CAADHN COc1cc[nH]c(=O)c1C(=O)NCCN[C@H](C)C(N)=O ZINC001148010246 781526917 /nfs/dbraw/zinc/52/69/17/781526917.db2.gz IYTJVDDPRBGNSB-SSDOTTSWSA-N 0 3 282.300 -1.011 20 0 CAADHN Cn1cncc1C[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001161085278 781527038 /nfs/dbraw/zinc/52/70/38/781527038.db2.gz SCQQAUFZPOHUMN-GUBZILKMSA-N 0 3 264.285 -1.184 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c(OC)cc[nH]c1=O ZINC001148009917 781527183 /nfs/dbraw/zinc/52/71/83/781527183.db2.gz BIRWNQFLWLDGGE-UHFFFAOYSA-N 0 3 282.300 -1.139 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccc(N(C)C)nn1 ZINC001148121936 781527236 /nfs/dbraw/zinc/52/72/36/781527236.db2.gz PAULJEHUTQSJTH-UHFFFAOYSA-N 0 3 280.332 -1.392 20 0 CAADHN CNC(=O)c1ccc(C(=O)NCCNCC(N)=O)cn1 ZINC001148173643 781528089 /nfs/dbraw/zinc/52/80/89/781528089.db2.gz ATEOLJHUHGLBLE-UHFFFAOYSA-N 0 3 279.300 -1.754 20 0 CAADHN CNC(=O)c1ccc(C(=O)NCCN[C@H](C)C(N)=O)cn1 ZINC001148173761 781528525 /nfs/dbraw/zinc/52/85/25/781528525.db2.gz GIQZASWMBAXZKN-MRVPVSSYSA-N 0 3 293.327 -1.366 20 0 CAADHN CCNC(=O)CCCC(=O)NCCNCC(N)=O ZINC001148190586 781528569 /nfs/dbraw/zinc/52/85/69/781528569.db2.gz CKMBIWHRUVNKEU-UHFFFAOYSA-N 0 3 258.322 -1.516 20 0 CAADHN CCNC(=O)CCCC(=O)NCCNCC(=O)NC ZINC001148184947 781528857 /nfs/dbraw/zinc/52/88/57/781528857.db2.gz WNXPRLQXYJFTCF-UHFFFAOYSA-N 0 3 272.349 -1.255 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)c1cccn(C)c1=O ZINC001148296907 781529650 /nfs/dbraw/zinc/52/96/50/781529650.db2.gz FTZHNGMFLSTQDO-UHFFFAOYSA-N 0 3 280.328 -1.207 20 0 CAADHN CCNC(=O)CCCC(=O)NCCN[C@@H](C)C(N)=O ZINC001148192507 781530211 /nfs/dbraw/zinc/53/02/11/781530211.db2.gz VDVKRRCVEPSTKD-VIFPVBQESA-N 0 3 272.349 -1.128 20 0 CAADHN CCCNC(=O)CCC(=O)NCCN[C@@H]1CCNC1=O ZINC001148216701 781530382 /nfs/dbraw/zinc/53/03/82/781530382.db2.gz JOFOLSNHIRACDB-SNVBAGLBSA-N 0 3 284.360 -1.113 20 0 CAADHN Cn1cccc(C(=O)NCCN[C@H]2CCNC2=O)c1=O ZINC001148297362 781530622 /nfs/dbraw/zinc/53/06/22/781530622.db2.gz UCCIYIXCVKUAHV-JTQLQIEISA-N 0 3 278.312 -1.407 20 0 CAADHN CN(C)C(=O)CCCC(=O)NCCN[C@H]1CCNC1=O ZINC001148203986 781531061 /nfs/dbraw/zinc/53/10/61/781531061.db2.gz VZPRUXPNKKVEBI-JTQLQIEISA-N 0 3 284.360 -1.161 20 0 CAADHN O=C(NCC[NH2+]CCO)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001148337475 781531865 /nfs/dbraw/zinc/53/18/65/781531865.db2.gz UPQVFWAOKHSZQH-UHFFFAOYSA-N 0 3 277.280 -1.118 20 0 CAADHN NC(=O)NCCC(=O)NCCN[C@H]1CCNC1=O ZINC001150423875 781587060 /nfs/dbraw/zinc/58/70/60/781587060.db2.gz KWZSUNLEHLPDCA-ZETCQYMHSA-N 0 3 257.294 -2.361 20 0 CAADHN NC(=O)CNCCNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001148336371 781532588 /nfs/dbraw/zinc/53/25/88/781532588.db2.gz GKBQIWIDHRGXFE-UHFFFAOYSA-N 0 3 290.279 -1.625 20 0 CAADHN CCN1CC[C@H](NCCNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001148428271 781533325 /nfs/dbraw/zinc/53/33/25/781533325.db2.gz ZVHXQTVSRQVIOT-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCNCC(=O)NC1CC1 ZINC001148431292 781533356 /nfs/dbraw/zinc/53/33/56/781533356.db2.gz AJAUISOTIBAAGU-LBPRGKRZSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NCCNC(=O)[C@@H]1CCC(=O)N1)C(=O)NC1CC1 ZINC001148433841 781533369 /nfs/dbraw/zinc/53/33/69/781533369.db2.gz XPPCACLUWOPDFZ-SCZZXKLOSA-N 0 3 282.344 -1.362 20 0 CAADHN CC(C)N1CC[C@H](NCCNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001148427628 781533398 /nfs/dbraw/zinc/53/33/98/781533398.db2.gz QHKRIDFILDNSCE-QWRGUYRKSA-N 0 3 296.371 -1.020 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCNCC(N)=O ZINC001148431999 781533480 /nfs/dbraw/zinc/53/34/80/781533480.db2.gz GKPPEGCWDPGGDG-VIFPVBQESA-N 0 3 256.306 -1.812 20 0 CAADHN C[C@H](NCCNC(=O)[C@@H]1CCC(=O)N1)C(=O)N(C)C ZINC001148428158 781533719 /nfs/dbraw/zinc/53/37/19/781533719.db2.gz XGTGLMPJXHASLY-IUCAKERBSA-N 0 3 270.333 -1.553 20 0 CAADHN CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417443 781533769 /nfs/dbraw/zinc/53/37/69/781533769.db2.gz CZKJYWBLLMHTRQ-VIFPVBQESA-N 0 3 284.360 -1.115 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H]1CCCN1C(C)=O ZINC001148432023 781534117 /nfs/dbraw/zinc/53/41/17/781534117.db2.gz HWRPSFVEUFMMEV-JTQLQIEISA-N 0 3 270.333 -1.551 20 0 CAADHN CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148432022 781534458 /nfs/dbraw/zinc/53/44/58/781534458.db2.gz HUQFPSRMYBNGJB-ZJUUUORDSA-N 0 3 284.360 -1.115 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCN[C@H]1CCCNC1=O ZINC001148437225 781534530 /nfs/dbraw/zinc/53/45/30/781534530.db2.gz LFYXWHGSYBZXGG-RYUDHWBXSA-N 0 3 296.371 -1.018 20 0 CAADHN CC[C@@H](NCCNC(=O)[C@@H]1CCCN1C(C)=O)C(N)=O ZINC001148449971 781534808 /nfs/dbraw/zinc/53/48/08/781534808.db2.gz XIGSGDGILKWUQL-MNOVXSKESA-N 0 3 284.360 -1.033 20 0 CAADHN O=C(CNCCNC(=O)[C@@H]1CCC(=O)N1)NCC1CCC1 ZINC001148418168 781534847 /nfs/dbraw/zinc/53/48/47/781534847.db2.gz VSJFQVSPBSEHML-NSHDSACASA-N 0 3 296.371 -1.113 20 0 CAADHN O=C(c1nc[nH]n1)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148462512 781534885 /nfs/dbraw/zinc/53/48/85/781534885.db2.gz CZRIVLQARTZLNP-UHFFFAOYSA-N 0 3 295.343 -1.039 20 0 CAADHN O=C(NCCN[C@H]1CCCNC1=O)[C@@H]1CCC(=O)N1 ZINC001148418112 781534900 /nfs/dbraw/zinc/53/49/00/781534900.db2.gz TYEGYLUKKOQYLK-IUCAKERBSA-N 0 3 268.317 -1.751 20 0 CAADHN CC(=O)N[C@@H](C(=O)NCCNCC(=O)N(C)C)C(C)C ZINC001148465791 781534933 /nfs/dbraw/zinc/53/49/33/781534933.db2.gz MQBDOECJMYLNHU-GFCCVEGCSA-N 0 3 286.376 -1.059 20 0 CAADHN CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417931 781534986 /nfs/dbraw/zinc/53/49/86/781534986.db2.gz NNLQACRMSGDNGO-JTQLQIEISA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H](CC(C)C)NC(C)=O ZINC001148471919 781535011 /nfs/dbraw/zinc/53/50/11/781535011.db2.gz CDDUOXWJBQCQLC-NSHDSACASA-N 0 3 286.376 -1.011 20 0 CAADHN CC(=O)N1CCC[C@H]1C(=O)NCCN[C@H]1CCN(C)C1=O ZINC001148449883 781535133 /nfs/dbraw/zinc/53/51/33/781535133.db2.gz SNXRIXUZYBKUMU-RYUDHWBXSA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417839 781535265 /nfs/dbraw/zinc/53/52/65/781535265.db2.gz KAEDETFBPVYMGK-QMMMGPOBSA-N 0 3 256.306 -1.941 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417973 781535429 /nfs/dbraw/zinc/53/54/29/781535429.db2.gz PIGWCUAGPUSCJO-LURJTMIESA-N 0 3 271.277 -2.834 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148417854 781535716 /nfs/dbraw/zinc/53/57/16/781535716.db2.gz KLLFQBVLFHZSSK-QMMMGPOBSA-N 0 3 299.331 -2.184 20 0 CAADHN CC(=O)N[C@@H](C(=O)NCCNCC(N)=O)C(C)C ZINC001148466091 781535759 /nfs/dbraw/zinc/53/57/59/781535759.db2.gz UCTHXSBYLVITMV-SNVBAGLBSA-N 0 3 258.322 -1.662 20 0 CAADHN CN(C(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001148417983 781535872 /nfs/dbraw/zinc/53/58/72/781535872.db2.gz PPYXALOXRCASBR-JTQLQIEISA-N 0 3 282.344 -1.408 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)[C@@H]2CCC(=O)N2)C1=O ZINC001148417866 781535922 /nfs/dbraw/zinc/53/59/22/781535922.db2.gz KTDGZSBZSWHWGT-VHSXEESVSA-N 0 3 282.344 -1.408 20 0 CAADHN CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001148418147 781535954 /nfs/dbraw/zinc/53/59/54/781535954.db2.gz UXEHXCSAPSHJKB-ZETCQYMHSA-N 0 3 285.304 -2.574 20 0 CAADHN CC[C@@H](NCCNC(=O)Cn1nc(C)ccc1=O)C(N)=O ZINC001148560016 781536428 /nfs/dbraw/zinc/53/64/28/781536428.db2.gz SVDWJLWCNGCULL-SNVBAGLBSA-N 0 3 295.343 -1.479 20 0 CAADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N(C)CCO)C(N)=O ZINC001161111207 781536556 /nfs/dbraw/zinc/53/65/56/781536556.db2.gz YHVBSTBYBZSUHC-JGVFFNPUSA-N 0 3 274.321 -2.465 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H](C)C(N)=O)CCC1 ZINC001148602817 781536798 /nfs/dbraw/zinc/53/67/98/781536798.db2.gz GSGACJJIIGHBCW-MRVPVSSYSA-N 0 3 270.333 -1.518 20 0 CAADHN Cc1ccc(=O)n(CC(=O)NCCNCC(=O)N(C)C)n1 ZINC001148557558 781536827 /nfs/dbraw/zinc/53/68/27/781536827.db2.gz UKJATPKXWBILFE-UHFFFAOYSA-N 0 3 295.343 -1.654 20 0 CAADHN Cc1ccc(=O)n(CC(=O)NCCN[C@@H]2CCNC2=O)n1 ZINC001148571081 781536994 /nfs/dbraw/zinc/53/69/94/781536994.db2.gz VKRMJFRZQVDXSM-SNVBAGLBSA-N 0 3 293.327 -1.854 20 0 CAADHN NC(=O)NC(=O)CNCCNC(=O)c1cc(Cl)no1 ZINC001148647912 781537142 /nfs/dbraw/zinc/53/71/42/781537142.db2.gz BMHFUXPAUJIYRU-UHFFFAOYSA-N 0 3 289.679 -1.158 20 0 CAADHN CN(CCO)C(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001161108175 781537165 /nfs/dbraw/zinc/53/71/65/781537165.db2.gz SVYOAIWTNOOYQZ-QMMMGPOBSA-N 0 3 262.331 -1.786 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@@H](CC(C)C)NC(C)=O ZINC001148484382 781537364 /nfs/dbraw/zinc/53/73/64/781537364.db2.gz CDDUOXWJBQCQLC-LLVKDONJSA-N 0 3 286.376 -1.011 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@H]2CCNC2=O)CCC1 ZINC001148604020 781537555 /nfs/dbraw/zinc/53/75/55/781537555.db2.gz ZLJVQFDTASJPMN-VIFPVBQESA-N 0 3 282.344 -1.503 20 0 CAADHN CNC(=O)C1(C(=O)NCCN[C@@H](C)C(N)=O)CCC1 ZINC001148602819 781537572 /nfs/dbraw/zinc/53/75/72/781537572.db2.gz GSGACJJIIGHBCW-QMMMGPOBSA-N 0 3 270.333 -1.518 20 0 CAADHN CNC(=O)CNCCNC(=O)C1(C(=O)NC)CCC1 ZINC001148599398 781537582 /nfs/dbraw/zinc/53/75/82/781537582.db2.gz UGHMBRHKJWDQNJ-UHFFFAOYSA-N 0 3 270.333 -1.646 20 0 CAADHN CC[C@H](NCCNC(=O)C1(C(=O)NC)CCC1)C(N)=O ZINC001148628199 781538330 /nfs/dbraw/zinc/53/83/30/781538330.db2.gz AKHHGRLROFRIQR-VIFPVBQESA-N 0 3 284.360 -1.128 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCCC(=O)N1C ZINC001149464463 781538583 /nfs/dbraw/zinc/53/85/83/781538583.db2.gz XCNAUGHQOZNXRD-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)[C@H](C)NCCNC(=O)C1(C(=O)NC)CCC1 ZINC001148628352 781538666 /nfs/dbraw/zinc/53/86/66/781538666.db2.gz CREGIBIOXMURLH-VIFPVBQESA-N 0 3 284.360 -1.257 20 0 CAADHN C[C@H](O)CN1CCCO[C@@H](CNC(=O)CC(N)=O)C1 ZINC001149483308 781540172 /nfs/dbraw/zinc/54/01/72/781540172.db2.gz ZFIBLIBJSABTDZ-UWVGGRQHSA-N 0 3 273.333 -1.550 20 0 CAADHN COCC(=O)NC[C@H]1CN(C[C@H](O)COC)CCCO1 ZINC001149002915 781541012 /nfs/dbraw/zinc/54/10/12/781541012.db2.gz UGSBXFMILOMEGL-RYUDHWBXSA-N 0 3 290.360 -1.153 20 0 CAADHN COCC(=O)NC[C@@H]1CN(C[C@H](O)COC)CCCO1 ZINC001149002914 781541388 /nfs/dbraw/zinc/54/13/88/781541388.db2.gz UGSBXFMILOMEGL-NWDGAFQWSA-N 0 3 290.360 -1.153 20 0 CAADHN Cn1cc([C@@H]2CN(C(=O)C(N)=O)C[C@H]2NCCO)cn1 ZINC001086994603 781541901 /nfs/dbraw/zinc/54/19/01/781541901.db2.gz KLLXGMRLMJUDDP-VHSXEESVSA-N 0 3 281.316 -2.218 20 0 CAADHN COc1cccnc1C(=O)NCCNCC(N)=O ZINC001149020168 781542639 /nfs/dbraw/zinc/54/26/39/781542639.db2.gz PYBMMALIZFBMGH-UHFFFAOYSA-N 0 3 252.274 -1.105 20 0 CAADHN C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)c2cnnn2C)[C@H](C)C1 ZINC001092581056 781547220 /nfs/dbraw/zinc/54/72/20/781547220.db2.gz TZJDVKCVFQSEKH-KXUCPTDWSA-N 0 3 294.359 -1.013 20 0 CAADHN C[C@]1(CO)CN(CCn2cnnn2)C[C@@]1(C)CO ZINC000712537682 781549580 /nfs/dbraw/zinc/54/95/80/781549580.db2.gz GNLOCMHQVUKSFH-PHIMTYICSA-N 0 3 255.322 -1.014 20 0 CAADHN CCNC(=O)CNS(=O)(=O)N1CCNCC1 ZINC000036779709 781553001 /nfs/dbraw/zinc/55/30/01/781553001.db2.gz UUIRQAPSRBGSLL-UHFFFAOYSA-N 0 3 250.324 -2.138 20 0 CAADHN CNC(=O)CN1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036804578 781554655 /nfs/dbraw/zinc/55/46/55/781554655.db2.gz LWUFRHZOLNVHJD-RKDXNWHRSA-N 0 3 268.317 -1.860 20 0 CAADHN CN(C)C(=O)CN1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036806341 781554954 /nfs/dbraw/zinc/55/49/54/781554954.db2.gz NOWBKZQCSGNEDO-VHSXEESVSA-N 0 3 282.344 -1.517 20 0 CAADHN NC(=O)C(=O)N1CC[C@H]2[C@H](CCN2CC(=O)N2CCC2)C1 ZINC001036804140 781554984 /nfs/dbraw/zinc/55/49/84/781554984.db2.gz FGOZWYZJKHYVGW-MNOVXSKESA-N 0 3 294.355 -1.373 20 0 CAADHN CNC(=O)CN1CC[C@H]2CN(C(=O)C(N)=O)CC[C@H]21 ZINC001036804576 781555220 /nfs/dbraw/zinc/55/52/20/781555220.db2.gz LWUFRHZOLNVHJD-DTWKUNHWSA-N 0 3 268.317 -1.860 20 0 CAADHN CNC(=O)CN1CC[C@@H]2CN(C(=O)C(N)=O)CC[C@@H]21 ZINC001036804575 781555256 /nfs/dbraw/zinc/55/52/56/781555256.db2.gz LWUFRHZOLNVHJD-BDAKNGLRSA-N 0 3 268.317 -1.860 20 0 CAADHN C[C@H](NCCNC(=O)c1ccc(=O)[nH]c1)C(=O)NC(N)=O ZINC001149770880 781559167 /nfs/dbraw/zinc/55/91/67/781559167.db2.gz NDFIORMJUVWKFR-ZETCQYMHSA-N 0 3 295.299 -1.310 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001093886793 781560677 /nfs/dbraw/zinc/56/06/77/781560677.db2.gz SYPLRZMWHAMKJN-OPRDCNLKSA-N 0 3 292.343 -1.009 20 0 CAADHN C[C@@H]1CN(C(=O)c2cn[n-]n2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001093886792 781561010 /nfs/dbraw/zinc/56/10/10/781561010.db2.gz SYPLRZMWHAMKJN-BBBLOLIVSA-N 0 3 292.343 -1.009 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001094117868 781562717 /nfs/dbraw/zinc/56/27/17/781562717.db2.gz VLVKAHKEKMHJFZ-BBBLOLIVSA-N 0 3 292.343 -1.009 20 0 CAADHN CCNC(=O)CNCCNC(=O)CNC(=O)c1ccco1 ZINC001149884567 781564561 /nfs/dbraw/zinc/56/45/61/781564561.db2.gz PKWFPYKKWLZIKU-UHFFFAOYSA-N 0 3 296.327 -1.149 20 0 CAADHN CN(C)C[C@@H](CO)NC(=O)c1cn(C)c(=O)n1C ZINC000716669921 781565199 /nfs/dbraw/zinc/56/51/99/781565199.db2.gz HERBYORCWSAGNI-QMMMGPOBSA-N 0 3 256.306 -1.624 20 0 CAADHN Cc1cc(CNS(=O)(=O)N2CCNCC2)[nH]n1 ZINC000716741332 781565318 /nfs/dbraw/zinc/56/53/18/781565318.db2.gz LJUBBTDQALUCPQ-UHFFFAOYSA-N 0 3 259.335 -1.042 20 0 CAADHN Cn1nncc1CNCCCNC(=O)[C@@H]1CCC(=O)N1 ZINC001171620552 781570664 /nfs/dbraw/zinc/57/06/64/781570664.db2.gz BXKLUNXHPJGRBY-JTQLQIEISA-N 0 3 280.332 -1.310 20 0 CAADHN NC(=O)CNC(=O)CN[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172013790 781573942 /nfs/dbraw/zinc/57/39/42/781573942.db2.gz LIYMZAINZKQEGQ-QMMMGPOBSA-N 0 3 268.317 -1.669 20 0 CAADHN CN1CC[C@H](N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)C1=O ZINC001171943555 781573982 /nfs/dbraw/zinc/57/39/82/781573982.db2.gz UKQPYJQKLSYEOD-FXQIFTODSA-N 0 3 254.290 -2.264 20 0 CAADHN O=C1C[C@H](NC(CO)(CO)CO)CCN1C1CC1 ZINC001172008142 781574681 /nfs/dbraw/zinc/57/46/81/781574681.db2.gz ZEDZTMIGSYKIRA-SECBINFHSA-N 0 3 258.318 -1.555 20 0 CAADHN CN1CC[C@H](N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001171943560 781574855 /nfs/dbraw/zinc/57/48/55/781574855.db2.gz UKQPYJQKLSYEOD-PRJMDXOYSA-N 0 3 254.290 -2.264 20 0 CAADHN C[C@H](N[C@H]1CCN(C2CC2)C(=O)C1)C(=O)NCC(N)=O ZINC001172005734 781574890 /nfs/dbraw/zinc/57/48/90/781574890.db2.gz SWASVUKMEJDZSF-IUCAKERBSA-N 0 3 282.344 -1.281 20 0 CAADHN CN1CC[C@@H](N2C[C@H](C(N)=O)[C@H](C(N)=O)C2)C1=O ZINC001171943558 781574963 /nfs/dbraw/zinc/57/49/63/781574963.db2.gz UKQPYJQKLSYEOD-GJMOJQLCSA-N 0 3 254.290 -2.264 20 0 CAADHN CC(C)OCC[C@@H](C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001172436035 781577070 /nfs/dbraw/zinc/57/70/70/781577070.db2.gz PJNWDPYBCSAWND-PCEBWVJKSA-N 0 3 293.360 -1.421 20 0 CAADHN COC(=O)[C@H]1CCC[C@H](NCC(=O)NCC(N)=O)C1 ZINC001172613287 781577168 /nfs/dbraw/zinc/57/71/68/781577168.db2.gz VJNKSVRPLOLEOW-IUCAKERBSA-N 0 3 271.317 -1.091 20 0 CAADHN CCOCC[C@H](C)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001172415219 781577290 /nfs/dbraw/zinc/57/72/90/781577290.db2.gz TVTMAKFSZJGBRQ-OJEYFTNHSA-N 0 3 279.333 -1.809 20 0 CAADHN COC(=O)[C@H]1CCC[C@@H](NCC(=O)NCC(N)=O)C1 ZINC001172613286 781577361 /nfs/dbraw/zinc/57/73/61/781577361.db2.gz VJNKSVRPLOLEOW-DTWKUNHWSA-N 0 3 271.317 -1.091 20 0 CAADHN CCOCC[C@@H](C)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001172415225 781577445 /nfs/dbraw/zinc/57/74/45/781577445.db2.gz TVTMAKFSZJGBRQ-ZKSVUJDCSA-N 0 3 279.333 -1.809 20 0 CAADHN CCOCC[C@H](C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001172415223 781577665 /nfs/dbraw/zinc/57/76/65/781577665.db2.gz TVTMAKFSZJGBRQ-VQJPJQAJSA-N 0 3 279.333 -1.809 20 0 CAADHN CC(C)OCC[C@H](C)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001172436036 781577801 /nfs/dbraw/zinc/57/78/01/781577801.db2.gz PJNWDPYBCSAWND-TXWLSFLZSA-N 0 3 293.360 -1.421 20 0 CAADHN CC(C)OCC[C@@H](C)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001172436034 781577815 /nfs/dbraw/zinc/57/78/15/781577815.db2.gz PJNWDPYBCSAWND-GRRRKWKPSA-N 0 3 293.360 -1.421 20 0 CAADHN NC(=O)CNCCNC(=O)CNC(=O)Cc1ccccc1 ZINC001150085413 781577940 /nfs/dbraw/zinc/57/79/40/781577940.db2.gz LIPRKWPPZJMVLB-UHFFFAOYSA-N 0 3 292.339 -1.464 20 0 CAADHN CC(=O)NCCCCCC(=O)NCCNCC(N)=O ZINC001150076470 781578016 /nfs/dbraw/zinc/57/80/16/781578016.db2.gz NWMJFCPBCZWMLH-UHFFFAOYSA-N 0 3 272.349 -1.126 20 0 CAADHN CCOCC[C@@H](C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001172415221 781578070 /nfs/dbraw/zinc/57/80/70/781578070.db2.gz TVTMAKFSZJGBRQ-PAUJSFGCSA-N 0 3 279.333 -1.809 20 0 CAADHN NC(=O)C1(C(=O)NC[C@@H]2CN(CCO)CCCO2)CC1 ZINC001150201786 781578650 /nfs/dbraw/zinc/57/86/50/781578650.db2.gz BVFDVNGSAXSCEJ-SNVBAGLBSA-N 0 3 285.344 -1.549 20 0 CAADHN NC(=O)C1(C(=O)NC[C@H]2CN(CCO)CCCO2)CC1 ZINC001150201785 781578970 /nfs/dbraw/zinc/57/89/70/781578970.db2.gz BVFDVNGSAXSCEJ-JTQLQIEISA-N 0 3 285.344 -1.549 20 0 CAADHN CCN1CC[C@@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C1 ZINC001173354735 781579046 /nfs/dbraw/zinc/57/90/46/781579046.db2.gz JFIXEAGYUMYBJW-PAUJSFGCSA-N 0 3 276.333 -2.530 20 0 CAADHN CCSC[C@@H](C)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001173296259 781579106 /nfs/dbraw/zinc/57/91/06/781579106.db2.gz QFPPCGREZPYGNL-VRGHXPGPSA-N 0 3 281.374 -1.483 20 0 CAADHN C[C@H]1C[C@@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CCO1 ZINC001173169286 781579314 /nfs/dbraw/zinc/57/93/14/781579314.db2.gz CBDIGLOQQMCDQO-PTPBXQLCSA-N 0 3 277.317 -2.057 20 0 CAADHN C[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnnn1)C2 ZINC001095158899 781579606 /nfs/dbraw/zinc/57/96/06/781579606.db2.gz GTRQZRWVODZDBS-VLEAKVRGSA-N 0 3 280.332 -1.225 20 0 CAADHN C[C@H]1C[C@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CCO1 ZINC001173169285 781579763 /nfs/dbraw/zinc/57/97/63/781579763.db2.gz CBDIGLOQQMCDQO-HQQOVYNUSA-N 0 3 277.317 -2.057 20 0 CAADHN COC(=O)[C@@H]1C[C@H](NC(CO)CO)C[C@@H]1C(=O)OC ZINC001173566841 781581107 /nfs/dbraw/zinc/58/11/07/781581107.db2.gz RMOJRGZYLWUYPR-LETLQTKMSA-N 0 3 275.301 -1.330 20 0 CAADHN NC(=O)CNCCNC(=O)CN1C(=O)CNC1=O ZINC001150332389 781582883 /nfs/dbraw/zinc/58/28/83/781582883.db2.gz RQOAAFWWBVGOTP-UHFFFAOYSA-N 0 3 257.250 -3.271 20 0 CAADHN CCN(C)C(=O)CNCCNC(=O)Cn1cncn1 ZINC001150250149 781583020 /nfs/dbraw/zinc/58/30/20/781583020.db2.gz OSCIYXCQWRKBEY-UHFFFAOYSA-N 0 3 268.321 -1.538 20 0 CAADHN CN1CC[C@H](NCCNC(=O)CN2C(=O)CNC2=O)C1=O ZINC001150340088 781583259 /nfs/dbraw/zinc/58/32/59/781583259.db2.gz WDHQLMODFQATDN-QMMMGPOBSA-N 0 3 297.315 -2.525 20 0 CAADHN CCNC(=O)NC(=O)CNCCNC(=O)Cn1cncn1 ZINC001150260844 781583300 /nfs/dbraw/zinc/58/33/00/781583300.db2.gz HTAYPWHUNWLJRU-UHFFFAOYSA-N 0 3 297.319 -2.170 20 0 CAADHN C[C@H](NCCNC(=O)CN1C(=O)CN(C)C1=O)C(N)=O ZINC001150332418 781583326 /nfs/dbraw/zinc/58/33/26/781583326.db2.gz TVTUANHFKIHHLD-ZETCQYMHSA-N 0 3 285.304 -2.540 20 0 CAADHN O=C(Cn1cncn1)NCCN[C@H]1CCCNC1=O ZINC001150262242 781583803 /nfs/dbraw/zinc/58/38/03/781583803.db2.gz VAJCDTWEGDFGGU-VIFPVBQESA-N 0 3 266.305 -1.738 20 0 CAADHN C[C@@H](NCCNC(=O)Cn1cncn1)C(=O)NC1CC1 ZINC001150250499 781583844 /nfs/dbraw/zinc/58/38/44/781583844.db2.gz YZQAZZWUMGCFQI-SECBINFHSA-N 0 3 280.332 -1.349 20 0 CAADHN NC(=O)NCCC(=O)NCCN[C@H]1CCCNC1=O ZINC001150423893 781585882 /nfs/dbraw/zinc/58/58/82/781585882.db2.gz LNOGAJNPVGCRLY-QMMMGPOBSA-N 0 3 271.321 -1.971 20 0 CAADHN NC(=O)NCCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001150423471 781586038 /nfs/dbraw/zinc/58/60/38/781586038.db2.gz HANXUPSGOWQPJS-ZETCQYMHSA-N 0 3 285.304 -2.444 20 0 CAADHN C[C@H]1NC(=O)N(CCN2C[C@@H](CO)[C@H](CO)C2)C1=O ZINC001174908255 781586108 /nfs/dbraw/zinc/58/61/08/781586108.db2.gz XTYILCUKBCDBPC-UTLUCORTSA-N 0 3 271.317 -1.541 20 0 CAADHN C[C@@H]1NC(=O)N(CCN2C[C@@H](CO)[C@H](CO)C2)C1=O ZINC001174908240 781586571 /nfs/dbraw/zinc/58/65/71/781586571.db2.gz XTYILCUKBCDBPC-GUBZILKMSA-N 0 3 271.317 -1.541 20 0 CAADHN CN1CCC[C@H](NCCNC(=O)CCNC(N)=O)C1=O ZINC001150424272 781586679 /nfs/dbraw/zinc/58/66/79/781586679.db2.gz PHAPSOOPOSICKO-VIFPVBQESA-N 0 3 285.348 -1.629 20 0 CAADHN CC(C)N1CC[C@@H](NCCNC(=O)CCNC(N)=O)C1=O ZINC001150432100 781586773 /nfs/dbraw/zinc/58/67/73/781586773.db2.gz LEQXSSICLBHVSZ-SNVBAGLBSA-N 0 3 299.375 -1.240 20 0 CAADHN CN1CCC[C@@H](NCCNC(=O)CCNC(N)=O)C1=O ZINC001150424270 781586811 /nfs/dbraw/zinc/58/68/11/781586811.db2.gz PHAPSOOPOSICKO-SECBINFHSA-N 0 3 285.348 -1.629 20 0 CAADHN C[C@@H](NCCNC(=O)CCNC(N)=O)C(=O)NC1CC1 ZINC001150432124 781586825 /nfs/dbraw/zinc/58/68/25/781586825.db2.gz LYQBZCXXJCHCGA-MRVPVSSYSA-N 0 3 285.348 -1.582 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CCNC(N)=O ZINC001150432348 781587810 /nfs/dbraw/zinc/58/78/10/781587810.db2.gz QWHONYDUYHBOQE-SSDOTTSWSA-N 0 3 259.310 -2.115 20 0 CAADHN O=C(NCCO)C1CCN(CCN2C(=O)CNC2=O)CC1 ZINC001175015011 781587925 /nfs/dbraw/zinc/58/79/25/781587925.db2.gz HMFLWYXTZCYZIT-UHFFFAOYSA-N 0 3 298.343 -1.641 20 0 CAADHN C[C@H](NCCNC(=O)CN1C(=O)CCC1=O)C(=O)N(C)C ZINC001150467927 781589183 /nfs/dbraw/zinc/58/91/83/781589183.db2.gz ZHEGVRRIAJPPCX-VIFPVBQESA-N 0 3 298.343 -1.682 20 0 CAADHN Cn1cncc1CNCCNC(=O)CN1C(=O)CCC1=O ZINC001150472069 781589481 /nfs/dbraw/zinc/58/94/81/781589481.db2.gz DCPKWKSSYLPQMQ-UHFFFAOYSA-N 0 3 293.327 -1.225 20 0 CAADHN C[C@]12CN(CC(=O)NC(N)=O)C[C@]1(C)C(=O)NC2=O ZINC001175252000 781590261 /nfs/dbraw/zinc/59/02/61/781590261.db2.gz ZLTSEJQKBFUBNT-GHMZBOCLSA-N 0 3 268.273 -1.834 20 0 CAADHN CC[C@@H](NCCNC(=O)C1CCN(C(N)=O)CC1)C(N)=O ZINC001150517150 781594862 /nfs/dbraw/zinc/59/48/62/781594862.db2.gz JAOYELUJSGNCBD-SNVBAGLBSA-N 0 3 299.375 -1.253 20 0 CAADHN CN(CCNC(=O)[C@@H]1COC(=O)N1)CCOCCO ZINC001175821647 781596001 /nfs/dbraw/zinc/59/60/01/781596001.db2.gz DRHGBHBQEHHYDA-VIFPVBQESA-N 0 3 275.305 -1.848 20 0 CAADHN CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCc1nnc[nH]1 ZINC001176379559 781600009 /nfs/dbraw/zinc/60/00/09/781600009.db2.gz CWYCUBNHTLTXEV-SECBINFHSA-N 0 3 277.288 -1.109 20 0 CAADHN O=C(Cc1c[nH]cn1)N1CC(N2CCNC(=O)C2)C1 ZINC001176831036 781606423 /nfs/dbraw/zinc/60/64/23/781606423.db2.gz LPPFDVPHHICUFG-UHFFFAOYSA-N 0 3 263.301 -1.405 20 0 CAADHN CC(=O)NCC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001149038683 781611901 /nfs/dbraw/zinc/61/19/01/781611901.db2.gz RMFAXEPPXORKFL-LBPRGKRZSA-N 0 3 287.360 -1.288 20 0 CAADHN O=C(Cn1cncn1)NC[C@H]1CN(CCCO)CCCO1 ZINC001150676856 781617788 /nfs/dbraw/zinc/61/77/88/781617788.db2.gz ABZWEIGBBLTYHE-LBPRGKRZSA-N 0 3 297.359 -1.132 20 0 CAADHN NC(=O)CNCCNC(=O)c1cccc(-n2cnnn2)c1 ZINC001150662157 781617958 /nfs/dbraw/zinc/61/79/58/781617958.db2.gz CMRVDRAOTQMTBU-UHFFFAOYSA-N 0 3 289.299 -1.533 20 0 CAADHN CN1CCC[C@@H](NCc2cn(CC(N)=O)nn2)C1 ZINC001177437609 781621036 /nfs/dbraw/zinc/62/10/36/781621036.db2.gz PWZZEVOZBNLCQN-SECBINFHSA-N 0 3 252.322 -1.053 20 0 CAADHN COCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)[C@@H]1C ZINC001177983541 781627064 /nfs/dbraw/zinc/62/70/64/781627064.db2.gz REWHGJZRHCWIKJ-VGMNWLOBSA-N 0 3 286.332 -1.205 20 0 CAADHN COCCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001177987227 781627495 /nfs/dbraw/zinc/62/74/95/781627495.db2.gz YFPGVMBPCLGILB-IUCAKERBSA-N 0 3 286.332 -1.203 20 0 CAADHN COCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001177973293 781628211 /nfs/dbraw/zinc/62/82/11/781628211.db2.gz PWIOKDRWYSUIRE-YUMQZZPRSA-N 0 3 272.305 -1.593 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CCn2cncn2)[C@H]1C ZINC001178120559 781629049 /nfs/dbraw/zinc/62/90/49/781629049.db2.gz QUYDMJAGQPFXBW-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H]1[C@@H](N[C@@H]2CCN(C)C2=O)CCN1C(=O)CNC(N)=O ZINC001178096951 781629288 /nfs/dbraw/zinc/62/92/88/781629288.db2.gz PAVUKMRXGNMJPF-LPEHRKFASA-N 0 3 297.359 -1.536 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H](C)NC(C)=O)[C@H]1C ZINC001178070152 781629993 /nfs/dbraw/zinc/62/99/93/781629993.db2.gz URPGYLAKTWFRJF-QXEWZRGKSA-N 0 3 284.360 -1.164 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CNC(N)=O)[C@H]1C)C(=O)N(C)C ZINC001178096093 781630024 /nfs/dbraw/zinc/63/00/24/781630024.db2.gz BIQXMCWQVIIADD-GUBZILKMSA-N 0 3 299.375 -1.290 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)CNC(N)=O ZINC001178088142 781630491 /nfs/dbraw/zinc/63/04/91/781630491.db2.gz JJCAPRLHUJBTBD-UWVGGRQHSA-N 0 3 297.359 -1.534 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](N[C@@H]2CCNC2=O)[C@@H]1C ZINC001178211156 781631040 /nfs/dbraw/zinc/63/10/40/781631040.db2.gz RORCFGDULZEUKP-LPEHRKFASA-N 0 3 298.343 -1.190 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CNC(=O)C2CC2)[C@H]1C)C(N)=O ZINC001178192466 781631255 /nfs/dbraw/zinc/63/12/55/781631255.db2.gz LYEZXZRHQXQUNN-YWVKMMECSA-N 0 3 296.371 -1.035 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)c1cn[nH]c1 ZINC001178174776 781631715 /nfs/dbraw/zinc/63/17/15/781631715.db2.gz OBILWYMGQXJGLU-CBAPKCEASA-N 0 3 294.315 -1.203 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@H]1CCOC1 ZINC001178257723 781632500 /nfs/dbraw/zinc/63/25/00/781632500.db2.gz KOJBIIBCEMSBPB-GUBZILKMSA-N 0 3 298.343 -1.203 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCC(=O)N2)[C@H]1C ZINC001178351817 781632667 /nfs/dbraw/zinc/63/26/67/781632667.db2.gz XETUEYGCPQEDCZ-GARJFASQSA-N 0 3 296.371 -1.020 20 0 CAADHN COCCOCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178371184 781632942 /nfs/dbraw/zinc/63/29/42/781632942.db2.gz PRRIACCCLOJSQJ-UWVGGRQHSA-N 0 3 273.333 -1.286 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178211288 781632983 /nfs/dbraw/zinc/63/29/83/781632983.db2.gz YHPQVTJXZRJLPG-YUMQZZPRSA-N 0 3 272.305 -1.593 20 0 CAADHN CO[C@H](C)C(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001178224645 781633033 /nfs/dbraw/zinc/63/30/33/781633033.db2.gz DVABVKRJWCSPPZ-YIZRAAEISA-N 0 3 286.332 -1.205 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)[C@@H]1CCOC1 ZINC001178257722 781633307 /nfs/dbraw/zinc/63/33/07/781633307.db2.gz KOJBIIBCEMSBPB-AEJSXWLSSA-N 0 3 298.343 -1.203 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@H](NCC(=O)NC)[C@@H]1C ZINC001178512529 781633866 /nfs/dbraw/zinc/63/38/66/781633866.db2.gz OXYGZSFKCZLSOH-UWVGGRQHSA-N 0 3 284.360 -1.162 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN2CN=NC2=O)[C@H]1C ZINC001178511932 781634469 /nfs/dbraw/zinc/63/44/69/781634469.db2.gz GLLZKZQWAWSWMF-IUCAKERBSA-N 0 3 296.331 -1.691 20 0 CAADHN CC(C)NC(=O)CN[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178396085 781634486 /nfs/dbraw/zinc/63/44/86/781634486.db2.gz SIUJSZSMIWEBOF-UWVGGRQHSA-N 0 3 284.360 -1.035 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC001178390602 781634744 /nfs/dbraw/zinc/63/47/44/781634744.db2.gz ARUGYGOCXAFWPZ-CIUDSAMLSA-N 0 3 270.333 -1.425 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)CN2CCOCC2)[C@H]1C ZINC001178485421 781634779 /nfs/dbraw/zinc/63/47/79/781634779.db2.gz HITHXHOYJODUFM-RYUDHWBXSA-N 0 3 298.387 -1.356 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H]1C ZINC001178415038 781634872 /nfs/dbraw/zinc/63/48/72/781634872.db2.gz ZATYAFOIGWRKRW-SDDRHHMPSA-N 0 3 298.387 -1.358 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)CC(N)=O ZINC001178384453 781634899 /nfs/dbraw/zinc/63/48/99/781634899.db2.gz XYTBIIYYZKRQLR-WPRPVWTQSA-N 0 3 282.344 -1.281 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)[C@H]1C ZINC001178455775 781635055 /nfs/dbraw/zinc/63/50/55/781635055.db2.gz LXLAIXTXUAMIFO-AXFHLTTASA-N 0 3 296.371 -1.162 20 0 CAADHN C[C@@H](N[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C)C(=O)NC(N)=O ZINC001178395635 781635210 /nfs/dbraw/zinc/63/52/10/781635210.db2.gz JIYDZOIYEGRXRA-CSMHCCOUSA-N 0 3 299.331 -1.976 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COCCN2C)[C@H]1C ZINC001178488745 781635244 /nfs/dbraw/zinc/63/52/44/781635244.db2.gz DAYYNKFVAVJGEN-SRVKXCTJSA-N 0 3 298.387 -1.358 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)CC(N)=O)[C@H]1C)C(=O)N(C)C ZINC001178391001 781635265 /nfs/dbraw/zinc/63/52/65/781635265.db2.gz FMSAUIJQSNRMAD-GUBZILKMSA-N 0 3 284.360 -1.083 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](NCC(=O)N2CCC2)[C@@H]1C ZINC001178541097 781636499 /nfs/dbraw/zinc/63/64/99/781636499.db2.gz DVTDBOJUDAERPG-QWRGUYRKSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CCCC(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001178519720 781636536 /nfs/dbraw/zinc/63/65/36/781636536.db2.gz GQUZNPZTOHVGGQ-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cnn(C)c2N)[C@H]1C ZINC001178525553 781636785 /nfs/dbraw/zinc/63/67/85/781636785.db2.gz NENLWWIPBSVSIB-WPRPVWTQSA-N 0 3 294.359 -1.059 20 0 CAADHN Cc1n[nH]c(C)c1CC(=O)NCCNCC(N)=O ZINC001150816912 781637291 /nfs/dbraw/zinc/63/72/91/781637291.db2.gz IIOUKFWCTKJXSX-UHFFFAOYSA-N 0 3 253.306 -1.240 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)[C@H]1C ZINC001178606472 781637697 /nfs/dbraw/zinc/63/76/97/781637697.db2.gz YDXDAVZYFCXXLG-GUBZILKMSA-N 0 3 298.343 -1.190 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001178548521 781637831 /nfs/dbraw/zinc/63/78/31/781637831.db2.gz XWOBNCWMNCUQGI-VGMNWLOBSA-N 0 3 270.333 -1.425 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)Cn1ncnn1 ZINC001178716118 781637942 /nfs/dbraw/zinc/63/79/42/781637942.db2.gz KHROFNOTUKVEGT-UWVGGRQHSA-N 0 3 295.347 -1.660 20 0 CAADHN CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)[C@H](C)NC(N)=O)[C@H]1C ZINC001178563153 781637975 /nfs/dbraw/zinc/63/79/75/781637975.db2.gz GCHDSMVLTGCCKA-KATARQTJSA-N 0 3 299.375 -1.243 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C ZINC001178595090 781638185 /nfs/dbraw/zinc/63/81/85/781638185.db2.gz ODSHTBJJOWHDFA-IUCAKERBSA-N 0 3 280.332 -1.246 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001178627438 781638347 /nfs/dbraw/zinc/63/83/47/781638347.db2.gz BLKIBWARFAQFQP-UTLUCORTSA-N 0 3 299.375 -1.242 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@H]1COC(=O)N1 ZINC001178605456 781638649 /nfs/dbraw/zinc/63/86/49/781638649.db2.gz KWLSCDBBUXLCBL-LPEHRKFASA-N 0 3 298.343 -1.238 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)Cn1nccn1 ZINC001178785656 781639105 /nfs/dbraw/zinc/63/91/05/781639105.db2.gz SPYJWAITHJNQAJ-QWRGUYRKSA-N 0 3 294.359 -1.055 20 0 CAADHN CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1C ZINC001178785289 781639413 /nfs/dbraw/zinc/63/94/13/781639413.db2.gz KYWTYSXRVBECSH-DCAQKATOSA-N 0 3 294.359 -1.008 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1C ZINC001178791465 781639450 /nfs/dbraw/zinc/63/94/50/781639450.db2.gz CDRHITQVLJHTHE-QWRGUYRKSA-N 0 3 294.359 -1.007 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)Cn2nccn2)[C@H]1C ZINC001178785484 781639682 /nfs/dbraw/zinc/63/96/82/781639682.db2.gz PCXJKVLADHUFRQ-UWVGGRQHSA-N 0 3 280.332 -1.397 20 0 CAADHN CNC(=O)CNCCNC(=O)CNC(=O)C(C)(C)C ZINC001150828918 781640033 /nfs/dbraw/zinc/64/00/33/781640033.db2.gz ICANLJGXHWIRAT-UHFFFAOYSA-N 0 3 272.349 -1.400 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H](N[C@H](C)C(N)=O)[C@@H]1C ZINC001178850302 781640235 /nfs/dbraw/zinc/64/02/35/781640235.db2.gz UWCPVSQSSRKSAX-VGMNWLOBSA-N 0 3 285.348 -1.632 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CCCNC2=O)[C@H]1C ZINC001178940205 781641853 /nfs/dbraw/zinc/64/18/53/781641853.db2.gz GIWYTHCBJONKCT-DCAQKATOSA-N 0 3 296.371 -1.162 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)C[C@@H]2CCNC2=O)[C@H]1C ZINC001178870769 781642324 /nfs/dbraw/zinc/64/23/24/781642324.db2.gz PTXXXIFFMFGQNN-DCAQKATOSA-N 0 3 296.371 -1.162 20 0 CAADHN O=C(CN1C(=O)CCC1=O)N1CC(N[C@H]2CCOC2)C1 ZINC001179008894 781643252 /nfs/dbraw/zinc/64/32/52/781643252.db2.gz UKTZDBPJXBKDLE-VIFPVBQESA-N 0 3 281.312 -1.275 20 0 CAADHN O=C(Cn1ncnn1)N1CC(N[C@@H]2CCOC2)C1 ZINC001179008671 781643474 /nfs/dbraw/zinc/64/34/74/781643474.db2.gz PRUJMFJFUOQIJC-MRVPVSSYSA-N 0 3 252.278 -1.738 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCS(C)(=O)=O ZINC001179005240 781644040 /nfs/dbraw/zinc/64/40/40/781644040.db2.gz FXNXBNXWRIRDOC-IUCAKERBSA-N 0 3 291.373 -1.515 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCCCNC(N)=O ZINC001179086560 781646295 /nfs/dbraw/zinc/64/62/95/781646295.db2.gz BLAGCVPIULLTLM-UWVGGRQHSA-N 0 3 299.375 -1.111 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)C(=O)NCC(F)F ZINC001179037101 781646596 /nfs/dbraw/zinc/64/65/96/781646596.db2.gz NVFRDCJTVHJLBC-BQBZGAKWSA-N 0 3 292.286 -1.568 20 0 CAADHN COCCN1CCCO[C@@H](CNC(=O)CNC(C)=O)C1 ZINC001149038927 781646995 /nfs/dbraw/zinc/64/69/95/781646995.db2.gz XZGQTPXVRVIYCW-LBPRGKRZSA-N 0 3 287.360 -1.024 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)[C@H]1C ZINC001179431034 781647918 /nfs/dbraw/zinc/64/79/18/781647918.db2.gz MIFOXOQFVZMJJF-GUBZILKMSA-N 0 3 297.359 -1.617 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C2CC2)CCN1C(=O)C(N)=O ZINC001179446241 781647946 /nfs/dbraw/zinc/64/79/46/781647946.db2.gz DSCWIPSIBKQIJS-WPRPVWTQSA-N 0 3 282.344 -1.329 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001179326964 781648214 /nfs/dbraw/zinc/64/82/14/781648214.db2.gz GPTWWNVSSPDGNA-VGMNWLOBSA-N 0 3 270.333 -1.438 20 0 CAADHN CC(C)CNC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446129 781648368 /nfs/dbraw/zinc/64/83/68/781648368.db2.gz AGUVGQRESFTCTH-UWVGGRQHSA-N 0 3 284.360 -1.177 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@@H]1CCNC1=O ZINC001179300694 781648560 /nfs/dbraw/zinc/64/85/60/781648560.db2.gz VBXBYFDAINXCJS-AXFHLTTASA-N 0 3 296.371 -1.210 20 0 CAADHN COC[C@@H](OC)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001179508107 781649026 /nfs/dbraw/zinc/64/90/26/781649026.db2.gz KPNNGDNKCGGENZ-LPEHRKFASA-N 0 3 273.333 -1.288 20 0 CAADHN CN1CC(C(=O)N2CC(NC3COC3)C2)=NC1=O ZINC001179462078 781649087 /nfs/dbraw/zinc/64/90/87/781649087.db2.gz XEOHSGWLJWSBDJ-UHFFFAOYSA-N 0 3 252.274 -1.062 20 0 CAADHN CCNC(=O)NC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446549 781649130 /nfs/dbraw/zinc/64/91/30/781649130.db2.gz UKAZBZAGGPRRTL-YUMQZZPRSA-N 0 3 299.331 -2.104 20 0 CAADHN CCCCNC(=O)CN[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179446491 781649141 /nfs/dbraw/zinc/64/91/41/781649141.db2.gz QFKQQNTZUDFATF-UWVGGRQHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCCNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452695 781649287 /nfs/dbraw/zinc/64/92/87/781649287.db2.gz WNSPRPKLGKHPIU-UTLUCORTSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(=O)NC1CC1 ZINC001179451919 781649534 /nfs/dbraw/zinc/64/95/34/781649534.db2.gz KAVKVBSFFMDFBB-NRPADANISA-N 0 3 282.344 -1.282 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C ZINC001179452694 781649551 /nfs/dbraw/zinc/64/95/51/781649551.db2.gz WNSPRPKLGKHPIU-GUBZILKMSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NCC2CCC2)CCN1C(=O)C(N)=O ZINC001179446457 781649586 /nfs/dbraw/zinc/64/95/86/781649586.db2.gz OEQSSZFHKFCJRL-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN C[C@H](N[C@H]1CCN(C(=O)C(N)=O)[C@H]1C)C(=O)N(C)C ZINC001179446378 781650115 /nfs/dbraw/zinc/65/01/15/781650115.db2.gz KMJGXUKHMSKEIG-CIUDSAMLSA-N 0 3 270.333 -1.473 20 0 CAADHN CC[C@@H](NC(C)=O)C(=O)N1CC[C@H](NCC(N)=O)[C@@H]1C ZINC001179581870 781650510 /nfs/dbraw/zinc/65/05/10/781650510.db2.gz GJSBLVIFXQMFED-GDPRMGEGSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)c1cnon1 ZINC001179748976 781652222 /nfs/dbraw/zinc/65/22/22/781652222.db2.gz RSRAZDOJXUHPPZ-BQBZGAKWSA-N 0 3 296.287 -1.543 20 0 CAADHN C[C@H]1[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)c1nc[n-]n1 ZINC001179740246 781652993 /nfs/dbraw/zinc/65/29/93/781652993.db2.gz NZEPXLNNJQCKHW-BQBZGAKWSA-N 0 3 295.303 -1.808 20 0 CAADHN CNC(=O)C[NH2+][C@H]1CCN(C(=O)c2nc[n-]n2)[C@H]1C ZINC001179739980 781653163 /nfs/dbraw/zinc/65/31/63/781653163.db2.gz KDIONUFFGXRWRB-YUMQZZPRSA-N 0 3 266.305 -1.257 20 0 CAADHN CCNC(=O)CN[C@H]1CCN(C(=O)CCNC(N)=O)[C@H]1C ZINC001180096357 781654310 /nfs/dbraw/zinc/65/43/10/781654310.db2.gz OMMNYEIUZVDLEG-UWVGGRQHSA-N 0 3 299.375 -1.240 20 0 CAADHN CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)[C@H]1C ZINC001179963917 781654834 /nfs/dbraw/zinc/65/48/34/781654834.db2.gz XLEKVBAOTWNENM-GUBZILKMSA-N 0 3 282.344 -1.410 20 0 CAADHN C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)CCNC(N)=O ZINC001180096340 781654923 /nfs/dbraw/zinc/65/49/23/781654923.db2.gz MWDGEEHORTUPEI-GUBZILKMSA-N 0 3 297.359 -1.488 20 0 CAADHN C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CNC(=O)C1CCC1 ZINC001180200737 781656429 /nfs/dbraw/zinc/65/64/29/781656429.db2.gz CJJFWMUHNIRPKU-ONGXEEELSA-N 0 3 296.371 -1.033 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)Cc1nc(N)n[nH]1 ZINC001180246667 781656998 /nfs/dbraw/zinc/65/69/98/781656998.db2.gz LMLZMSSZFCAJCC-MRVPVSSYSA-N 0 3 268.321 -1.282 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)CN1C(=O)CNC1=O ZINC001180384164 781662208 /nfs/dbraw/zinc/66/22/08/781662208.db2.gz DXAJYEVELXEINY-VIFPVBQESA-N 0 3 284.316 -1.673 20 0 CAADHN CCN(CC)CC(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001180390901 781664364 /nfs/dbraw/zinc/66/43/64/781664364.db2.gz BNQQWJPYABYLHQ-VWYCJHECSA-N 0 3 256.354 -2.153 20 0 CAADHN CCN(CC)CC(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001180390899 781664847 /nfs/dbraw/zinc/66/48/47/781664847.db2.gz BNQQWJPYABYLHQ-OUAUKWLOSA-N 0 3 256.354 -2.153 20 0 CAADHN CCN(CC)CC(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001180390898 781665304 /nfs/dbraw/zinc/66/53/04/781665304.db2.gz BNQQWJPYABYLHQ-GARJFASQSA-N 0 3 256.354 -2.153 20 0 CAADHN COCC(=O)N1CC[C@@H](NCC(=O)NC[C@H]2CCOC2)C1 ZINC001180539534 781666002 /nfs/dbraw/zinc/66/60/02/781666002.db2.gz QRQBJTROIPOQHI-VXGBXAGGSA-N 0 3 299.371 -1.024 20 0 CAADHN COCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001180539331 781666217 /nfs/dbraw/zinc/66/62/17/781666217.db2.gz MGYUDKVEKMAFDP-SSDOTTSWSA-N 0 3 258.278 -1.982 20 0 CAADHN COCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001180547338 781666499 /nfs/dbraw/zinc/66/64/99/781666499.db2.gz PJQSFZNKPJEUTN-JGVFFNPUSA-N 0 3 272.305 -1.593 20 0 CAADHN CNC(=O)NC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)COC)C1 ZINC001180539294 781666592 /nfs/dbraw/zinc/66/65/92/781666592.db2.gz KMTWROKYLWGWAL-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C2CC2)C1 ZINC001180577496 781666638 /nfs/dbraw/zinc/66/66/38/781666638.db2.gz VNEJEJVNRMOCQH-MRVPVSSYSA-N 0 3 254.290 -1.218 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2CSCC(=O)N2)CC1 ZINC001180555827 781668584 /nfs/dbraw/zinc/66/85/84/781668584.db2.gz WIDHKQIQUOSRBY-VIFPVBQESA-N 0 3 287.385 -1.209 20 0 CAADHN COCCCNC(=O)CN[C@@H]1CCN(C(=O)COC)C1 ZINC001180569885 781669714 /nfs/dbraw/zinc/66/97/14/781669714.db2.gz ASWVXBIYXZBXFP-LLVKDONJSA-N 0 3 287.360 -1.024 20 0 CAADHN C[C@H](C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21)N1CCCC1 ZINC001180585272 781670123 /nfs/dbraw/zinc/67/01/23/781670123.db2.gz KIEAKGURNVRFPU-CHWFTXMASA-N 0 3 268.365 -2.010 20 0 CAADHN CS(=O)(=O)NCCN[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001180569899 781670348 /nfs/dbraw/zinc/67/03/48/781670348.db2.gz BCWQOZMSCPEHEU-SSDOTTSWSA-N 0 3 285.316 -1.009 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CCOC)C1 ZINC001180594140 781670375 /nfs/dbraw/zinc/67/03/75/781670375.db2.gz ZOAHUJMNVBUNSV-SECBINFHSA-N 0 3 286.332 -1.331 20 0 CAADHN COCCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001180609102 781670965 /nfs/dbraw/zinc/67/09/65/781670965.db2.gz ZUADHNOADSWCQV-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN NC(=O)C1CCN(CCC(=O)NCC(=O)CCO)CC1 ZINC001180612600 781671311 /nfs/dbraw/zinc/67/13/11/781671311.db2.gz DQDRNJGLWPTOGW-UHFFFAOYSA-N 0 3 285.344 -1.359 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N2CCCC2)C1 ZINC001180687983 781672724 /nfs/dbraw/zinc/67/27/24/781672724.db2.gz MBULGRNCKKANQF-GFCCVEGCSA-N 0 3 296.371 -1.065 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001180707685 781673922 /nfs/dbraw/zinc/67/39/22/781673922.db2.gz PTIVYOBZOFJJHU-SECBINFHSA-N 0 3 299.331 -2.231 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001180707523 781674247 /nfs/dbraw/zinc/67/42/47/781674247.db2.gz NBNVOFORZHYBLL-LLVKDONJSA-N 0 3 282.344 -1.408 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NCC2CC2)C1 ZINC001180708018 781675024 /nfs/dbraw/zinc/67/50/24/781675024.db2.gz VYCUKFGUZAOXCM-GFCCVEGCSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001180794104 781676442 /nfs/dbraw/zinc/67/64/42/781676442.db2.gz AINQJWYSMHBLOB-MRVPVSSYSA-N 0 3 279.300 -1.268 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001180722378 781676503 /nfs/dbraw/zinc/67/65/03/781676503.db2.gz AXQLMAVYMJFSQJ-VXNVDRBHSA-N 0 3 256.306 -1.813 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CNC(C)=O)C1)C(N)=O ZINC001180722777 781676563 /nfs/dbraw/zinc/67/65/63/781676563.db2.gz LMZWGICZTMURRX-NXEZZACHSA-N 0 3 270.333 -1.423 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001180761604 781676669 /nfs/dbraw/zinc/67/66/69/781676669.db2.gz BVDPVECITFSFGB-LLVKDONJSA-N 0 3 271.361 -1.110 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001180722587 781676699 /nfs/dbraw/zinc/67/66/99/781676699.db2.gz FMLPGMSMEDIAKD-GHMZBOCLSA-N 0 3 282.344 -1.456 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCCN(C)C2=O)C1 ZINC001180722769 781677191 /nfs/dbraw/zinc/67/71/91/781677191.db2.gz LBRUAVNVHWRKHT-NEPJUHHUSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCCN(C)C2=O)C1 ZINC001180722770 781677451 /nfs/dbraw/zinc/67/74/51/781677451.db2.gz LBRUAVNVHWRKHT-VXGBXAGGSA-N 0 3 296.371 -1.066 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001180829351 781677761 /nfs/dbraw/zinc/67/77/61/781677761.db2.gz XTTCFKIGZHRZTF-MWLCHTKSSA-N 0 3 284.360 -1.162 20 0 CAADHN C[C@@H](NCCNC(=O)c1cn(C)c(=O)[nH]c1=O)C(N)=O ZINC001150978559 781677777 /nfs/dbraw/zinc/67/77/77/781677777.db2.gz UHLCTXURSAXOTF-ZCFIWIBFSA-N 0 3 283.288 -2.321 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)CSC)C1 ZINC001180816719 781677923 /nfs/dbraw/zinc/67/79/23/781677923.db2.gz GNGYFPZNAMUIFN-MRVPVSSYSA-N 0 3 288.373 -1.005 20 0 CAADHN Cn1cc(C(=O)NCCNCCF)c(=O)[nH]c1=O ZINC001150978473 781677939 /nfs/dbraw/zinc/67/79/39/781677939.db2.gz UFESGQRYVMATHX-UHFFFAOYSA-N 0 3 258.253 -1.225 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)NC(C)=O)C1 ZINC001180827696 781678247 /nfs/dbraw/zinc/67/82/47/781678247.db2.gz GLAROYBWCIXXMW-PSASIEDQSA-N 0 3 270.333 -1.553 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001180780173 781678411 /nfs/dbraw/zinc/67/84/11/781678411.db2.gz FKNMWVSFJPYHPJ-LLVKDONJSA-N 0 3 278.312 -1.130 20 0 CAADHN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001180829299 781678428 /nfs/dbraw/zinc/67/84/28/781678428.db2.gz WMECSNNSHLHWRB-IONNQARKSA-N 0 3 256.306 -1.813 20 0 CAADHN CCOCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001180804785 781678461 /nfs/dbraw/zinc/67/84/61/781678461.db2.gz STFLPDXXHWVBAQ-SNVBAGLBSA-N 0 3 293.389 -1.237 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001180817237 781678921 /nfs/dbraw/zinc/67/89/21/781678921.db2.gz MQKVZTKAXPRXMQ-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN CCOCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001180803554 781678969 /nfs/dbraw/zinc/67/89/69/781678969.db2.gz GZNCTWJSKRGHCC-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001180817184 781679106 /nfs/dbraw/zinc/67/91/06/781679106.db2.gz MJEMAYVBABSGCG-BDAKNGLRSA-N 0 3 284.316 -1.449 20 0 CAADHN CN(C(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1)C1CC1 ZINC001180846981 781680013 /nfs/dbraw/zinc/68/00/13/781680013.db2.gz ADRFWRQXQRKYSU-SECBINFHSA-N 0 3 297.359 -1.534 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1)NC1CC1 ZINC001180855467 781680653 /nfs/dbraw/zinc/68/06/53/781680653.db2.gz SEIQMNUERFCAHR-SNVBAGLBSA-N 0 3 293.331 -1.858 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180870237 781680705 /nfs/dbraw/zinc/68/07/05/781680705.db2.gz BJXRCSCSWQCWII-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180855291 781680816 /nfs/dbraw/zinc/68/08/16/781680816.db2.gz MZZSLRRMUCHGJY-SECBINFHSA-N 0 3 281.320 -2.048 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)Cn2cnnn2)C1)C(=O)N(C)C ZINC001180870877 781681013 /nfs/dbraw/zinc/68/10/13/781681013.db2.gz LWWHXEIETDAFMV-VHSXEESVSA-N 0 3 295.347 -1.660 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CCCC2=O)C1 ZINC001180870267 781681368 /nfs/dbraw/zinc/68/13/68/781681368.db2.gz CHJVXQCWGDHUFH-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180855847 781681589 /nfs/dbraw/zinc/68/15/89/781681589.db2.gz ZEVAIBZYBJFJIN-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180905949 781681681 /nfs/dbraw/zinc/68/16/81/781681681.db2.gz HJIFDFCTTSBEGO-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001180855170 781681708 /nfs/dbraw/zinc/68/17/08/781681708.db2.gz INFLVAGXMARFRI-SNVBAGLBSA-N 0 3 295.347 -1.612 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCN(C(=O)CNC(N)=O)C2)C1=O ZINC001180913068 781682235 /nfs/dbraw/zinc/68/22/35/781682235.db2.gz GNDWLVKUZRBUQA-RKDXNWHRSA-N 0 3 283.332 -1.924 20 0 CAADHN Cc1cc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)on1 ZINC001180930371 781682274 /nfs/dbraw/zinc/68/22/74/781682274.db2.gz BWIHAJDYKJBPSK-MRVPVSSYSA-N 0 3 295.299 -1.018 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CNC(N)=O)C1)C(N)=O ZINC001180906474 781682449 /nfs/dbraw/zinc/68/24/49/781682449.db2.gz NFDXYTMRCFKTCR-NKWVEPMBSA-N 0 3 257.294 -2.281 20 0 CAADHN CCCNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180912458 781682588 /nfs/dbraw/zinc/68/25/88/781682588.db2.gz BGHZWAWFSSBYQV-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180908177 781682776 /nfs/dbraw/zinc/68/27/76/781682776.db2.gz ZCACSVWSJPCZKS-MRVPVSSYSA-N 0 3 271.321 -2.019 20 0 CAADHN Cn1nccc1CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897091 781682954 /nfs/dbraw/zinc/68/29/54/781682954.db2.gz BKVCAVGYOHEDEW-SECBINFHSA-N 0 3 280.332 -1.221 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897518 781684000 /nfs/dbraw/zinc/68/40/00/781684000.db2.gz KWWZESYYUDIPHH-SECBINFHSA-N 0 3 285.348 -1.630 20 0 CAADHN CS(=O)(=O)CCN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897531 781684039 /nfs/dbraw/zinc/68/40/39/781684039.db2.gz LIYJSCORVZJLAW-MRVPVSSYSA-N 0 3 292.361 -2.110 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897549 781684184 /nfs/dbraw/zinc/68/41/84/781684184.db2.gz LZLTZAFWFXVUAZ-SSDOTTSWSA-N 0 3 257.294 -2.409 20 0 CAADHN CC(C)(C)NC(=O)CN[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001180897814 781684286 /nfs/dbraw/zinc/68/42/86/781684286.db2.gz UHEZMFWWHGCFPM-SECBINFHSA-N 0 3 299.375 -1.240 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001180992969 781684904 /nfs/dbraw/zinc/68/49/04/781684904.db2.gz BCZPJGIQKRCKAE-LLVKDONJSA-N 0 3 294.359 -1.005 20 0 CAADHN CN1CCC(CO)(NC(=O)[C@@H]2COCCO2)CC1 ZINC001181004039 781685625 /nfs/dbraw/zinc/68/56/25/781685625.db2.gz OWOMJDKFEXKERP-JTQLQIEISA-N 0 3 258.318 -1.025 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001181124031 781686128 /nfs/dbraw/zinc/68/61/28/781686128.db2.gz KJERGJNJUUTBHZ-GFCCVEGCSA-N 0 3 296.371 -1.113 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1)NC1CC1 ZINC001181077129 781686338 /nfs/dbraw/zinc/68/63/38/781686338.db2.gz YOGDDXHVOSGTQG-NEPJUHHUSA-N 0 3 297.355 -1.129 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2COCCO2)C1 ZINC001181076772 781686415 /nfs/dbraw/zinc/68/64/15/781686415.db2.gz VFXWDYITUGRCMU-GHMZBOCLSA-N 0 3 285.344 -1.320 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001181160810 781686834 /nfs/dbraw/zinc/68/68/34/781686834.db2.gz SILATTKBWQCXHI-SECBINFHSA-N 0 3 251.290 -1.040 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COCCO2)C1 ZINC001181075980 781686954 /nfs/dbraw/zinc/68/69/54/781686954.db2.gz LZRANEOCCINWEK-MNOVXSKESA-N 0 3 285.344 -1.272 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001181160301 781686985 /nfs/dbraw/zinc/68/69/85/781686985.db2.gz KQYRMOQEUSWQAD-MRVPVSSYSA-N 0 3 280.288 -1.591 20 0 CAADHN Cc1c[nH]cc1C(=O)NCCNCC(=O)NC(N)=O ZINC001151009971 781687045 /nfs/dbraw/zinc/68/70/45/781687045.db2.gz YPDMOBMALBAIQB-UHFFFAOYSA-N 0 3 267.289 -1.163 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CN(C)C(C)=O)C1 ZINC001181131075 781688014 /nfs/dbraw/zinc/68/80/14/781688014.db2.gz KFMCSOLSMOKYEA-GXSJLCMTSA-N 0 3 284.360 -1.210 20 0 CAADHN CC(=O)N(C)CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001181130773 781688210 /nfs/dbraw/zinc/68/82/10/781688210.db2.gz FBRNIZQNJUABPT-LLVKDONJSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001181160152 781690541 /nfs/dbraw/zinc/69/05/41/781690541.db2.gz DLEOFXLANAPXIQ-SECBINFHSA-N 0 3 294.315 -1.331 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CNC(=O)C2CC2)C1)C(N)=O ZINC001181251181 781690870 /nfs/dbraw/zinc/69/08/70/781690870.db2.gz PMWVWTLWHBZHLR-GHMZBOCLSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCCO2)C1 ZINC001181153815 781691000 /nfs/dbraw/zinc/69/10/00/781691000.db2.gz IMLSATMSQZCDCN-NXEZZACHSA-N 0 3 298.343 -1.059 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CS(C)(=O)=O)C1 ZINC001181335949 781691259 /nfs/dbraw/zinc/69/12/59/781691259.db2.gz GFDHUEMDDHTYNR-MRVPVSSYSA-N 0 3 277.346 -2.033 20 0 CAADHN CO[C@H](C)C(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001181324873 781691315 /nfs/dbraw/zinc/69/13/15/781691315.db2.gz JCIWWEGXVJEFHW-DJLDLDEBSA-N 0 3 286.332 -1.205 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001181295597 781691570 /nfs/dbraw/zinc/69/15/70/781691570.db2.gz XTJGYOLFCDNCES-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CO[C@H](C)C(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001181302725 781691843 /nfs/dbraw/zinc/69/18/43/781691843.db2.gz VHUNEAWTCNDZMU-NXEZZACHSA-N 0 3 293.389 -1.239 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC001181302155 781691967 /nfs/dbraw/zinc/69/19/67/781691967.db2.gz OQJBPWJPPMGNSN-DTWKUNHWSA-N 0 3 286.332 -1.333 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CNC(=O)OC)C1 ZINC001181295598 781692109 /nfs/dbraw/zinc/69/21/09/781692109.db2.gz XTJGYOLFCDNCES-RKDXNWHRSA-N 0 3 286.332 -1.333 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CNC(=O)OC)C1)C(N)=O ZINC001181301408 781692192 /nfs/dbraw/zinc/69/21/92/781692192.db2.gz FLCDZMNJBYADJX-BDAKNGLRSA-N 0 3 286.332 -1.203 20 0 CAADHN CO[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181301939 781692231 /nfs/dbraw/zinc/69/22/31/781692231.db2.gz MUFSGIUKUQHOTM-HTQZYQBOSA-N 0 3 272.305 -1.593 20 0 CAADHN COC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001181294234 781692268 /nfs/dbraw/zinc/69/22/68/781692268.db2.gz DIJNHLCZOVKRBR-BDAKNGLRSA-N 0 3 284.316 -1.579 20 0 CAADHN Cc1ocnc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181335402 781692273 /nfs/dbraw/zinc/69/22/73/781692273.db2.gz AICYLZBWTANGSY-MRVPVSSYSA-N 0 3 295.299 -1.018 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CNC(=O)OC)C1)C(N)=O ZINC001181301410 781692308 /nfs/dbraw/zinc/69/23/08/781692308.db2.gz FLCDZMNJBYADJX-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CCCC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001181369582 781692715 /nfs/dbraw/zinc/69/27/15/781692715.db2.gz KPBMHGJWURWMPJ-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001181420220 781692896 /nfs/dbraw/zinc/69/28/96/781692896.db2.gz CMFPTRUFSMCOQB-VHSXEESVSA-N 0 3 255.318 -1.041 20 0 CAADHN CCCC(=O)NCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001181369347 781693161 /nfs/dbraw/zinc/69/31/61/781693161.db2.gz FVPWKGXDZDZIDZ-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN CCCC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001181369642 781693510 /nfs/dbraw/zinc/69/35/10/781693510.db2.gz MFRUPFYBBSWJND-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN Cn1nccc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181427151 781693524 /nfs/dbraw/zinc/69/35/24/781693524.db2.gz GJFVBPMTYTXSAY-MRVPVSSYSA-N 0 3 294.315 -1.581 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001181412583 781693591 /nfs/dbraw/zinc/69/35/91/781693591.db2.gz LUWKWAWLCFGDTN-NXEZZACHSA-N 0 3 298.343 -1.331 20 0 CAADHN CO[C@H](C)CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181569914 781694251 /nfs/dbraw/zinc/69/42/51/781694251.db2.gz PIXYPTBOKQOOMP-RKDXNWHRSA-N 0 3 286.332 -1.203 20 0 CAADHN CCCOCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181434879 781694707 /nfs/dbraw/zinc/69/47/07/781694707.db2.gz SWVJLZPXAARXGH-SECBINFHSA-N 0 3 286.332 -1.202 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001181681388 781695452 /nfs/dbraw/zinc/69/54/52/781695452.db2.gz NCZBLGGVFQUANE-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001181681933 781695613 /nfs/dbraw/zinc/69/56/13/781695613.db2.gz UPFIAAZJLWAKEQ-RKDXNWHRSA-N 0 3 270.333 -1.423 20 0 CAADHN COC[C@H](C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001181627960 781695702 /nfs/dbraw/zinc/69/57/02/781695702.db2.gz WNJASVVOTJOAIJ-DTWKUNHWSA-N 0 3 286.332 -1.346 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 ZINC001181599352 781695789 /nfs/dbraw/zinc/69/57/89/781695789.db2.gz PHPDZDZVNJZKQM-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1)C(=O)N(C)C ZINC001181609499 781696010 /nfs/dbraw/zinc/69/60/10/781696010.db2.gz PLLDNCNFCZLPGF-GMTAPVOTSA-N 0 3 296.371 -1.068 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001181590684 781696426 /nfs/dbraw/zinc/69/64/26/781696426.db2.gz RUHWGMMNTSHFQK-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN CCNC(=O)CCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001181590682 781696523 /nfs/dbraw/zinc/69/65/23/781696523.db2.gz RUHWGMMNTSHFQK-GHMZBOCLSA-N 0 3 296.371 -1.018 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)[C@H]2CC[N@H+](C)C2)nc1=O ZINC001151049682 781696548 /nfs/dbraw/zinc/69/65/48/781696548.db2.gz WALBRCPSPBFPOF-VIFPVBQESA-N 0 3 282.348 -1.734 20 0 CAADHN Cn1[n-]c(CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)nc1=O ZINC001151049682 781696551 /nfs/dbraw/zinc/69/65/51/781696551.db2.gz WALBRCPSPBFPOF-VIFPVBQESA-N 0 3 282.348 -1.734 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)COCCOC)C1 ZINC001181723377 781697310 /nfs/dbraw/zinc/69/73/10/781697310.db2.gz QHNLDROQUWPXOI-WDEREUQCSA-N 0 3 287.360 -1.026 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](N[C@H](CC)C(N)=O)C1 ZINC001181690176 781697421 /nfs/dbraw/zinc/69/74/21/781697421.db2.gz AZUCQMXHBYMLTA-NXEZZACHSA-N 0 3 284.360 -1.033 20 0 CAADHN COCCOCC(=O)N1CC[C@@H](N[C@H](C)C(N)=O)C1 ZINC001181709799 781697496 /nfs/dbraw/zinc/69/74/96/781697496.db2.gz XXJLKZHQXUTIMJ-NXEZZACHSA-N 0 3 273.333 -1.286 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001181690240 781697519 /nfs/dbraw/zinc/69/75/19/781697519.db2.gz DKORWLAKQYQDQG-NXEZZACHSA-N 0 3 284.360 -1.162 20 0 CAADHN COCCOCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001181709800 781697529 /nfs/dbraw/zinc/69/75/29/781697529.db2.gz XXJLKZHQXUTIMJ-VHSXEESVSA-N 0 3 273.333 -1.286 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)CC)C1 ZINC001181681060 781697716 /nfs/dbraw/zinc/69/77/16/781697716.db2.gz HBKUJEZRWKTTIV-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001181716886 781697735 /nfs/dbraw/zinc/69/77/35/781697735.db2.gz VSPDEEVSSVTYES-SECBINFHSA-N 0 3 292.343 -1.049 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC001181673737 781698022 /nfs/dbraw/zinc/69/80/22/781698022.db2.gz HUAWEOWYHIRKFW-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CCC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001181691064 781698082 /nfs/dbraw/zinc/69/80/82/781698082.db2.gz ZDDDOYGTRUJHNV-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN NC(=O)CNCCNC(=O)Cc1nc2ncccn2n1 ZINC001151055478 781698514 /nfs/dbraw/zinc/69/85/14/781698514.db2.gz BLUIKRHVBGFJBK-UHFFFAOYSA-N 0 3 277.288 -2.142 20 0 CAADHN COCCOCC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001181698966 781698670 /nfs/dbraw/zinc/69/86/70/781698670.db2.gz TWWBXIQSWZWLQD-LLVKDONJSA-N 0 3 287.360 -1.072 20 0 CAADHN NC(=O)CC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001181760149 781698754 /nfs/dbraw/zinc/69/87/54/781698754.db2.gz HLZHBZDTFAGMAJ-SECBINFHSA-N 0 3 268.317 -1.669 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181760523 781698984 /nfs/dbraw/zinc/69/89/84/781698984.db2.gz ORXSDFZVWOPCFD-SECBINFHSA-N 0 3 270.333 -1.422 20 0 CAADHN C[C@H](NC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1)C1CC1 ZINC001181768459 781699277 /nfs/dbraw/zinc/69/92/77/781699277.db2.gz FYQBZUFREYFHLQ-GXSJLCMTSA-N 0 3 296.371 -1.033 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC001181760310 781699332 /nfs/dbraw/zinc/69/93/32/781699332.db2.gz ILPUWVFXYIWQMD-NXEZZACHSA-N 0 3 298.343 -1.202 20 0 CAADHN CC(C)(C)NC(=O)CN[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001181770323 781699817 /nfs/dbraw/zinc/69/98/17/781699817.db2.gz ZOUWIYOYOBIOBQ-SECBINFHSA-N 0 3 284.360 -1.033 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001181821865 781701612 /nfs/dbraw/zinc/70/16/12/781701612.db2.gz JKVYPUONQRXATB-VXGBXAGGSA-N 0 3 298.387 -1.356 20 0 CAADHN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(C)=O)C2 ZINC001110247300 781702235 /nfs/dbraw/zinc/70/22/35/781702235.db2.gz DNGHBHSOVBBPQB-XQHKEYJVSA-N 0 3 299.371 -1.149 20 0 CAADHN Cn1ccc(C(=O)NCCN[C@H]2CCC(=O)NC2=O)n1 ZINC001151074439 781702891 /nfs/dbraw/zinc/70/28/91/781702891.db2.gz YSBVNQOYHTZXQH-QMMMGPOBSA-N 0 3 279.300 -1.455 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1 ZINC001181980389 781703266 /nfs/dbraw/zinc/70/32/66/781703266.db2.gz XRMJAMPDYAAPDM-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CN1CCC(O)(C(=O)N2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC001182028402 781704394 /nfs/dbraw/zinc/70/43/94/781704394.db2.gz PVIHIDXAHXISCA-WDEREUQCSA-N 0 3 272.345 -1.355 20 0 CAADHN CN1CCC(O)(C(=O)N[C@H]2COCC[C@@H]2O)CC1 ZINC001182033882 781704464 /nfs/dbraw/zinc/70/44/64/781704464.db2.gz RJBUURMHIABGSR-UWVGGRQHSA-N 0 3 258.318 -1.291 20 0 CAADHN CN1CCC(O)(C(=O)NC[C@@H]2CNC(=O)C2)CC1 ZINC001182033119 781704514 /nfs/dbraw/zinc/70/45/14/781704514.db2.gz KLPPMJYHHALCML-VIFPVBQESA-N 0 3 255.318 -1.305 20 0 CAADHN COC(=O)CN1CCN(C(=O)C2(O)CCN(C)CC2)CC1 ZINC001182032654 781704559 /nfs/dbraw/zinc/70/45/59/781704559.db2.gz ILHDCFNIAIBJDH-UHFFFAOYSA-N 0 3 299.371 -1.240 20 0 CAADHN CN1CCC(O)(C(=O)NC[C@@H]2CNC(=O)CO2)CC1 ZINC001182036018 781704725 /nfs/dbraw/zinc/70/47/25/781704725.db2.gz IULOMHJVNYBDIQ-VIFPVBQESA-N 0 3 271.317 -1.926 20 0 CAADHN CN1CCC(O)(C(=O)N2CC[C@@H](C(N)=O)C2)CC1 ZINC001182031465 781704762 /nfs/dbraw/zinc/70/47/62/781704762.db2.gz AWABHQSINAPDEP-SECBINFHSA-N 0 3 255.318 -1.223 20 0 CAADHN CN1CCC(O)(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC001182028401 781704803 /nfs/dbraw/zinc/70/48/03/781704803.db2.gz PVIHIDXAHXISCA-QWRGUYRKSA-N 0 3 272.345 -1.355 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC001182034019 781704812 /nfs/dbraw/zinc/70/48/12/781704812.db2.gz OBYRAOQGDMTEHK-NXEZZACHSA-N 0 3 298.343 -1.059 20 0 CAADHN CN1CCC(O)(C(=O)NCCC(=O)N2CCOCC2)CC1 ZINC001182028612 781704837 /nfs/dbraw/zinc/70/48/37/781704837.db2.gz AIIGOJZWEOEMHN-UHFFFAOYSA-N 0 3 299.371 -1.192 20 0 CAADHN CN1CCC(O)(C(=O)N2CC(=O)N(C3CC3)C(=O)C2)CC1 ZINC001182028107 781704850 /nfs/dbraw/zinc/70/48/50/781704850.db2.gz JQMURRZYMUDTBX-UHFFFAOYSA-N 0 3 295.339 -1.197 20 0 CAADHN CN1CCC(O)(C(=O)NC2CC(CO)(CO)C2)CC1 ZINC001182034263 781705032 /nfs/dbraw/zinc/70/50/32/781705032.db2.gz SYOZXVXIGAMAPW-UHFFFAOYSA-N 0 3 272.345 -1.307 20 0 CAADHN CC(=O)N1CC(NC(=O)C2(O)CCN(C)CC2)C1 ZINC001182035789 781705190 /nfs/dbraw/zinc/70/51/90/781705190.db2.gz FBYUYNOBISZJAR-UHFFFAOYSA-N 0 3 255.318 -1.210 20 0 CAADHN CN1CCC(O)(C(=O)NC[C@H]2CNC(=O)C2)CC1 ZINC001182033118 781705212 /nfs/dbraw/zinc/70/52/12/781705212.db2.gz KLPPMJYHHALCML-SECBINFHSA-N 0 3 255.318 -1.305 20 0 CAADHN CN1CCC(O)(C(=O)NC[C@H]2CN(C)CCO2)CC1 ZINC001182033761 781705371 /nfs/dbraw/zinc/70/53/71/781705371.db2.gz PNLOPNIZYJDEDQ-NSHDSACASA-N 0 3 271.361 -1.110 20 0 CAADHN CN1CCC(O)(C(=O)N2CCN(C)C(=O)C2)CC1 ZINC001182029122 781705423 /nfs/dbraw/zinc/70/54/23/781705423.db2.gz OOACFXJNIJYCSU-UHFFFAOYSA-N 0 3 255.318 -1.256 20 0 CAADHN CN1CCC(O)(C(=O)N2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC001182027885 781705535 /nfs/dbraw/zinc/70/55/35/781705535.db2.gz IQNWHDHNMOBBDY-MNOVXSKESA-N 0 3 272.345 -1.355 20 0 CAADHN CN(C)S(=O)(=O)CCNC(=O)C1(O)CCN(C)CC1 ZINC001182036820 781705561 /nfs/dbraw/zinc/70/55/61/781705561.db2.gz YVSGMPUWYAVMLA-UHFFFAOYSA-N 0 3 293.389 -1.549 20 0 CAADHN NCC(=O)N1CCN(C(=O)N2CCOCC2)CC1 ZINC000152023405 781705997 /nfs/dbraw/zinc/70/59/97/781705997.db2.gz YHOXIMOTCRWRAP-UHFFFAOYSA-N 0 3 256.306 -1.459 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)c1 ZINC001182016741 781706358 /nfs/dbraw/zinc/70/63/58/781706358.db2.gz WBHCMPWTPLSCSS-MRVPVSSYSA-N 0 3 294.315 -1.581 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)CN2CCOCC2)C1 ZINC001182087611 781706368 /nfs/dbraw/zinc/70/63/68/781706368.db2.gz HMDXBSHUOBYFEA-GFCCVEGCSA-N 0 3 298.387 -1.355 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1)C(=O)NC(N)=O ZINC001182074502 781706388 /nfs/dbraw/zinc/70/63/88/781706388.db2.gz QYPHEHPWBCWKRJ-BBBLOLIVSA-N 0 3 298.343 -1.061 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2COC(=O)C2)C1 ZINC001182006984 781706479 /nfs/dbraw/zinc/70/64/79/781706479.db2.gz URHFLMHTYBNMMJ-NXEZZACHSA-N 0 3 283.328 -1.124 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)CN2CN=NC2=O)C1 ZINC001182120524 781707453 /nfs/dbraw/zinc/70/74/53/781707453.db2.gz BSPXZAPRUGKVMK-RKDXNWHRSA-N 0 3 296.331 -1.691 20 0 CAADHN CC(=O)N[C@H](CCO)C(=O)N1CCOC[C@@H]1CN(C)C ZINC001182123786 781708811 /nfs/dbraw/zinc/70/88/11/781708811.db2.gz ORKMGQLHSCCVIV-NWDGAFQWSA-N 0 3 287.360 -1.338 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001182174073 781710203 /nfs/dbraw/zinc/71/02/03/781710203.db2.gz UJZHUPNRCGYRHN-RKDXNWHRSA-N 0 3 268.317 -1.799 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001182144873 781712166 /nfs/dbraw/zinc/71/21/66/781712166.db2.gz BFLKHDJKUYFYIU-MRVPVSSYSA-N 0 3 299.331 -2.102 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001182145437 781712343 /nfs/dbraw/zinc/71/23/43/781712343.db2.gz PNTJHHONYPDDRI-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(=O)N[C@@H](CCO)C(=O)NC1(CO)CCN(C)CC1 ZINC001182144978 781712448 /nfs/dbraw/zinc/71/24/48/781712448.db2.gz ACODGCUDKXGUGL-NSHDSACASA-N 0 3 287.360 -1.554 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001182144863 781712645 /nfs/dbraw/zinc/71/26/45/781712645.db2.gz AONBTQNSDVJSDM-SNVBAGLBSA-N 0 3 284.360 -1.209 20 0 CAADHN CCNC(=O)CC(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001182145317 781712679 /nfs/dbraw/zinc/71/26/79/781712679.db2.gz MESODWCYCLVMNI-SECBINFHSA-N 0 3 270.333 -1.551 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182163449 781713190 /nfs/dbraw/zinc/71/31/90/781713190.db2.gz CFOASWWYTHPDQD-JGVFFNPUSA-N 0 3 271.321 -2.020 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001182179885 781713208 /nfs/dbraw/zinc/71/32/08/781713208.db2.gz ULMCRFVJLOQZMF-JGVFFNPUSA-N 0 3 256.306 -1.813 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001182179127 781713358 /nfs/dbraw/zinc/71/33/58/781713358.db2.gz LYHVKCKGIKYEQA-SECBINFHSA-N 0 3 270.333 -1.599 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)CC(=O)NC)C1 ZINC001182178777 781713653 /nfs/dbraw/zinc/71/36/53/781713653.db2.gz GNYQLOUNIHSWCJ-SNVBAGLBSA-N 0 3 284.360 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001182178548 781713701 /nfs/dbraw/zinc/71/37/01/781713701.db2.gz COSBORUXYATKRL-SNVBAGLBSA-N 0 3 280.332 -1.395 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@@H](N[C@H]2CCCN(C)C2=O)C1 ZINC001182179770 781714059 /nfs/dbraw/zinc/71/40/59/781714059.db2.gz SGNQWHBPSDMEFX-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN COC(=O)NCC(=O)NC1(CO)CCN(C)CC1 ZINC001182163160 781714046 /nfs/dbraw/zinc/71/40/46/781714046.db2.gz KFVSYCLZQWDAPV-UHFFFAOYSA-N 0 3 259.306 -1.085 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1)C(N)=O ZINC001182193772 781715358 /nfs/dbraw/zinc/71/53/58/781715358.db2.gz CQJHEOBUEAUYPL-DJLDLDEBSA-N 0 3 285.348 -1.502 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)C2CN(C(C)=O)C2)C1 ZINC001182187924 781715481 /nfs/dbraw/zinc/71/54/81/781715481.db2.gz KQVDMZXIRAITBX-GFCCVEGCSA-N 0 3 296.371 -1.209 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182266924 781715806 /nfs/dbraw/zinc/71/58/06/781715806.db2.gz JULHXPKXCBAZSV-ZJUUUORDSA-N 0 3 298.343 -1.189 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001182259734 781715884 /nfs/dbraw/zinc/71/58/84/781715884.db2.gz VGQZYOFQXIMPQF-SFYZADRCSA-N 0 3 270.289 -1.969 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C1)NC1CC1 ZINC001182268771 781716125 /nfs/dbraw/zinc/71/61/25/781716125.db2.gz XJVLDCYHCVDVGR-ZJUUUORDSA-N 0 3 296.327 -1.436 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)NC(N)=O)C1 ZINC001182195430 781716257 /nfs/dbraw/zinc/71/62/57/781716257.db2.gz WRRLJVLFMZGBHX-VHSXEESVSA-N 0 3 299.375 -1.242 20 0 CAADHN Cn1cnc(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)n1 ZINC001182302892 781716623 /nfs/dbraw/zinc/71/66/23/781716623.db2.gz NBRULBICPNAPRU-SSDOTTSWSA-N 0 3 295.303 -2.186 20 0 CAADHN C[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110272079 781717654 /nfs/dbraw/zinc/71/76/54/781717654.db2.gz IVAFFDMRMHTGRS-JLIMGVALSA-N 0 3 270.333 -1.243 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001182302282 781717721 /nfs/dbraw/zinc/71/77/21/781717721.db2.gz CKTYNUAITIDOSN-SECBINFHSA-N 0 3 280.332 -1.293 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001182344325 781717846 /nfs/dbraw/zinc/71/78/46/781717846.db2.gz PVEVTDVDLWTLSS-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN C[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CNC(N)=O)C2 ZINC001110272080 781717886 /nfs/dbraw/zinc/71/78/86/781717886.db2.gz IVAFFDMRMHTGRS-KYXWUPHJSA-N 0 3 270.333 -1.243 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1C(N)=O ZINC001182380291 781718145 /nfs/dbraw/zinc/71/81/45/781718145.db2.gz XFCGYNLEOGOBEY-UTLUCORTSA-N 0 3 255.318 -1.103 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001182295864 781718309 /nfs/dbraw/zinc/71/83/09/781718309.db2.gz PVPHOFULYRTGSX-MWLCHTKSSA-N 0 3 257.334 -1.060 20 0 CAADHN CNC(=O)NCCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001182343535 781718383 /nfs/dbraw/zinc/71/83/83/781718383.db2.gz MFYUYQMMCQDCDA-ZJUUUORDSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)CNCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151167987 781719156 /nfs/dbraw/zinc/71/91/56/781719156.db2.gz KRGPIAMASRWVKO-UHFFFAOYSA-N 0 3 267.289 -1.821 20 0 CAADHN CCCNC(=O)CNCCNC(=O)c1c[nH]c(C(N)=O)c1 ZINC001151174038 781721676 /nfs/dbraw/zinc/72/16/76/781721676.db2.gz MKMPTPHTKWAJAE-UHFFFAOYSA-N 0 3 295.343 -1.041 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182431574 781723195 /nfs/dbraw/zinc/72/31/95/781723195.db2.gz CRAINSYOJIRJHZ-WCBMZHEXSA-N 0 3 294.359 -1.019 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182431573 781723235 /nfs/dbraw/zinc/72/32/35/781723235.db2.gz CRAINSYOJIRJHZ-PSASIEDQSA-N 0 3 294.359 -1.019 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001182442819 781723342 /nfs/dbraw/zinc/72/33/42/781723342.db2.gz SJBAEHPPYINZGQ-LLVKDONJSA-N 0 3 279.344 -1.101 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001182432444 781723382 /nfs/dbraw/zinc/72/33/82/781723382.db2.gz YMKPIGJYDCRXEB-SECBINFHSA-N 0 3 280.332 -1.408 20 0 CAADHN C[C@@H](CC(=O)N1CC[C@@H](NCC(N)=O)C1)NC(N)=O ZINC001182553971 781724135 /nfs/dbraw/zinc/72/41/35/781724135.db2.gz PQHUPFPMKGHBRR-JGVFFNPUSA-N 0 3 271.321 -1.891 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)C[C@H](C)NC(N)=O)C1 ZINC001182552950 781724590 /nfs/dbraw/zinc/72/45/90/781724590.db2.gz HEUVJVYZKHYXKF-VHSXEESVSA-N 0 3 299.375 -1.240 20 0 CAADHN C[C@H](CC(=O)N1CC[C@@H](NCC(=O)N(C)C)C1)NC(N)=O ZINC001182553922 781725023 /nfs/dbraw/zinc/72/50/23/781725023.db2.gz NXLFVOGLHMIVDS-NXEZZACHSA-N 0 3 299.375 -1.288 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607449 781725626 /nfs/dbraw/zinc/72/56/26/781725626.db2.gz PIPHMBTYFXNIRS-DTWKUNHWSA-N 0 3 281.320 -2.002 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182599472 781725673 /nfs/dbraw/zinc/72/56/73/781725673.db2.gz VDHKQSZZUFCJEZ-SECBINFHSA-N 0 3 281.320 -2.000 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607028 781725682 /nfs/dbraw/zinc/72/56/82/781725682.db2.gz JPXJBHCZEONTCQ-SSDOTTSWSA-N 0 3 296.291 -2.942 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1)NC1CC1 ZINC001182599048 781725693 /nfs/dbraw/zinc/72/56/93/781725693.db2.gz PGZHDTJSXNIHJF-SNVBAGLBSA-N 0 3 293.331 -1.858 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607450 781725775 /nfs/dbraw/zinc/72/57/75/781725775.db2.gz PIPHMBTYFXNIRS-RKDXNWHRSA-N 0 3 281.320 -2.002 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001182607784 781725807 /nfs/dbraw/zinc/72/58/07/781725807.db2.gz SFOQKAKULIGOOV-MRVPVSSYSA-N 0 3 267.293 -2.390 20 0 CAADHN CCN(CCNCCS(C)(=O)=O)C(=O)c1cn[nH]n1 ZINC001273476875 781726247 /nfs/dbraw/zinc/72/62/47/781726247.db2.gz WQETTZKXPKJHBN-UHFFFAOYSA-N 0 3 289.361 -1.099 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001182701323 781726312 /nfs/dbraw/zinc/72/63/12/781726312.db2.gz UBAQPKWFLTYNSF-RWEMILLDSA-N 0 3 296.327 -1.592 20 0 CAADHN CN(C)C[C@H]1COCCN1C(=O)CN(C)S(C)(=O)=O ZINC001182877137 781729735 /nfs/dbraw/zinc/72/97/35/781729735.db2.gz KDBUNADNDJZQAL-JTQLQIEISA-N 0 3 293.389 -1.333 20 0 CAADHN O=C(CN[C@@H]1CCN(C(=O)Cn2nccn2)C1)NC1CC1 ZINC001182879703 781730342 /nfs/dbraw/zinc/73/03/42/781730342.db2.gz UCFUKEUMRKVUJR-LLVKDONJSA-N 0 3 292.343 -1.253 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001182879412 781730960 /nfs/dbraw/zinc/73/09/60/781730960.db2.gz MNLSDNLCPUJLNI-LLVKDONJSA-N 0 3 294.359 -1.007 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)Cn2nccn2)C1)C(=O)N(C)C ZINC001182888349 781731485 /nfs/dbraw/zinc/73/14/85/781731485.db2.gz XOWVFBASPHYNPI-WDEREUQCSA-N 0 3 294.359 -1.055 20 0 CAADHN NC(=O)CNCCNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151299107 781731716 /nfs/dbraw/zinc/73/17/16/781731716.db2.gz AWILRZRNNNDKAI-LURJTMIESA-N 0 3 264.307 -3.131 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001182925735 781732032 /nfs/dbraw/zinc/73/20/32/781732032.db2.gz SIPQDPCVFCPWNC-PRHODGIISA-N 0 3 280.332 -1.022 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)Cn2nccn2)C1)C(=O)N(C)C ZINC001182888348 781732103 /nfs/dbraw/zinc/73/21/03/781732103.db2.gz XOWVFBASPHYNPI-GHMZBOCLSA-N 0 3 294.359 -1.055 20 0 CAADHN NC(=O)CNCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151299108 781732112 /nfs/dbraw/zinc/73/21/12/781732112.db2.gz AWILRZRNNNDKAI-ZCFIWIBFSA-N 0 3 264.307 -3.131 20 0 CAADHN O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CCS(=O)(=O)N1 ZINC001151300405 781732175 /nfs/dbraw/zinc/73/21/75/781732175.db2.gz LGQCQCVNRMRSBS-SFYZADRCSA-N 0 3 290.345 -2.728 20 0 CAADHN CNC(=O)CNCCNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001151300679 781732246 /nfs/dbraw/zinc/73/22/46/781732246.db2.gz NUKKNUQXTVNKTC-SSDOTTSWSA-N 0 3 278.334 -2.870 20 0 CAADHN CN(C)C[C@@H]1COCCN1C(=O)[C@H]1CCNC1=O ZINC001183001999 781732513 /nfs/dbraw/zinc/73/25/13/781732513.db2.gz OMPCNEOWVROYOO-ZJUUUORDSA-N 0 3 255.318 -1.089 20 0 CAADHN O=C(NCCNCCF)[C@@H]1CCS(=O)(=O)N1 ZINC001151302062 781733185 /nfs/dbraw/zinc/73/31/85/781733185.db2.gz XEBYRHHFSPNKLU-ZETCQYMHSA-N 0 3 253.299 -1.647 20 0 CAADHN CN(CC(=O)N1CC[C@@H](NCC(N)=O)C1)S(C)(=O)=O ZINC001182999627 781733303 /nfs/dbraw/zinc/73/33/03/781733303.db2.gz UJVICJWIAAQGRI-MRVPVSSYSA-N 0 3 292.361 -2.446 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCCNC(=O)C2CC2)C1 ZINC001183032332 781733670 /nfs/dbraw/zinc/73/36/70/781733670.db2.gz DAGYCKNMEOKBJM-LLVKDONJSA-N 0 3 296.371 -1.031 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CN(C)C(=O)C2CC2)C1)C(N)=O ZINC001183007373 781733941 /nfs/dbraw/zinc/73/39/41/781733941.db2.gz IGRBTDWQWFXNRK-MWLCHTKSSA-N 0 3 296.371 -1.081 20 0 CAADHN CN(CC(=O)N1CC[C@@H](NCC(N)=O)C1)C(=O)C1CC1 ZINC001183007324 781734169 /nfs/dbraw/zinc/73/41/69/781734169.db2.gz GDPCYIMZJSYDSP-SNVBAGLBSA-N 0 3 282.344 -1.469 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001182973872 781734270 /nfs/dbraw/zinc/73/42/70/781734270.db2.gz VCCMBXAHBUKQJM-GHMZBOCLSA-N 0 3 296.371 -1.257 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001182974296 781734449 /nfs/dbraw/zinc/73/44/49/781734449.db2.gz ZYUVXISHONBGOC-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001182974298 781734518 /nfs/dbraw/zinc/73/45/18/781734518.db2.gz ZYUVXISHONBGOC-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN CN1C[C@@H](C(=O)NC2(CO)CCN(C)CC2)NC1=O ZINC001183081125 781737225 /nfs/dbraw/zinc/73/72/25/781737225.db2.gz QMWLYZSVBMSJNM-VIFPVBQESA-N 0 3 270.333 -1.417 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC)C1 ZINC001183060360 781738317 /nfs/dbraw/zinc/73/83/17/781738317.db2.gz YZZARMGGUCVJRR-RKDXNWHRSA-N 0 3 285.348 -1.760 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001183055272 781739013 /nfs/dbraw/zinc/73/90/13/781739013.db2.gz YOCJNBSRFXXVHP-SNVBAGLBSA-N 0 3 297.359 -1.616 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001183054705 781739034 /nfs/dbraw/zinc/73/90/34/781739034.db2.gz CDEPSIPMGRYAJH-BDAKNGLRSA-N 0 3 283.332 -2.006 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1 ZINC001183060177 781739131 /nfs/dbraw/zinc/73/91/31/781739131.db2.gz UZBXKCFITSZKNJ-NXEZZACHSA-N 0 3 297.359 -1.663 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCNC2=O)C1 ZINC001183222481 781740054 /nfs/dbraw/zinc/74/00/54/781740054.db2.gz OIHABKDAXKPDAQ-NXEZZACHSA-N 0 3 282.344 -1.551 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CCC(=O)NC2)C1 ZINC001183214203 781740188 /nfs/dbraw/zinc/74/01/88/781740188.db2.gz OJMFIHICUWBDLO-GHMZBOCLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CNCCNC(=O)c1ccnc(C)n1 ZINC001151307012 781740196 /nfs/dbraw/zinc/74/01/96/781740196.db2.gz XBFOGBIDSDANCW-UHFFFAOYSA-N 0 3 251.290 -1.150 20 0 CAADHN CC[C@H](NCCNC(=O)[C@H]1CCS(=O)(=O)N1)C(N)=O ZINC001151306852 781740270 /nfs/dbraw/zinc/74/02/70/781740270.db2.gz UXSUHTUWMZQPJO-JGVFFNPUSA-N 0 3 292.361 -2.352 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCCn2ccnn2)C1 ZINC001183205682 781741210 /nfs/dbraw/zinc/74/12/10/781741210.db2.gz AXINIHUPNATWQL-SNVBAGLBSA-N 0 3 280.332 -1.266 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2CCOCC2=O)C1 ZINC001183295963 781741661 /nfs/dbraw/zinc/74/16/61/781741661.db2.gz JXZDBIKFMVBJRV-SNVBAGLBSA-N 0 3 298.343 -2.218 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCNC2=O)C1 ZINC001183449608 781742353 /nfs/dbraw/zinc/74/23/53/781742353.db2.gz ADODVXKJOGGQIH-MNOVXSKESA-N 0 3 296.371 -1.161 20 0 CAADHN CC[C@@]1(C(=O)N2CC[C@@H](NCC(=O)NC)C2)CCNC1=O ZINC001183391353 781742528 /nfs/dbraw/zinc/74/25/28/781742528.db2.gz PHHJGPKRLTZQMQ-QMTHXVAHSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCC(=O)N2)C1 ZINC001183481725 781742717 /nfs/dbraw/zinc/74/27/17/781742717.db2.gz HBRFNHDTNQDFID-GHMZBOCLSA-N 0 3 296.371 -1.066 20 0 CAADHN CC(C)[C@H](C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21)N(C)C ZINC001183366631 781743023 /nfs/dbraw/zinc/74/30/23/781743023.db2.gz VERAQSWATRTVIT-VLEAKVRGSA-N 0 3 270.381 -1.908 20 0 CAADHN CC(C)(C(N)=O)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183428081 781743174 /nfs/dbraw/zinc/74/31/74/781743174.db2.gz SAMFZUOLBIKXEY-SSDOTTSWSA-N 0 3 299.331 -2.117 20 0 CAADHN COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001183521480 781744045 /nfs/dbraw/zinc/74/40/45/781744045.db2.gz GJEIYLZLUUUZIC-ZJUUUORDSA-N 0 3 296.327 -1.006 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001183577043 781746054 /nfs/dbraw/zinc/74/60/54/781746054.db2.gz VRYIJXXIENOEET-IJLUTSLNSA-N 0 3 298.387 -1.358 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001183590394 781746339 /nfs/dbraw/zinc/74/63/39/781746339.db2.gz CMUZPAZGDDDVHP-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001183684012 781747583 /nfs/dbraw/zinc/74/75/83/781747583.db2.gz NXBMXDDQQRCASM-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CCS(C)(=O)=O)C1)C(N)=O ZINC001183675525 781748141 /nfs/dbraw/zinc/74/81/41/781748141.db2.gz AMDOPHJNXNPRMP-DTWKUNHWSA-N 0 3 291.373 -1.515 20 0 CAADHN CC(=O)N[C@H](C(=O)N1CCOC[C@H]1CN(C)C)[C@@H](C)O ZINC001183698216 781749276 /nfs/dbraw/zinc/74/92/76/781749276.db2.gz FLULSUAEMNPWSX-JLLWLGSASA-N 0 3 287.360 -1.339 20 0 CAADHN O=C(Cn1cc(F)c(=O)[n-]c1=O)N[C@H]1CC[NH2+]C1 ZINC001183662652 781749394 /nfs/dbraw/zinc/74/93/94/781749394.db2.gz NXOQUFUUDMXXDK-LURJTMIESA-N 0 3 256.237 -1.434 20 0 CAADHN CC(=O)N[C@H](C(=O)NC1(CO)CCN(C)CC1)[C@@H](C)O ZINC001183702029 781750867 /nfs/dbraw/zinc/75/08/67/781750867.db2.gz IHAPQULOKQSZIF-KOLCDFICSA-N 0 3 287.360 -1.555 20 0 CAADHN CN1CCC[C@H](NC(=O)C[C@@H]2NC(=O)CNC2=O)C1 ZINC001183727429 781754776 /nfs/dbraw/zinc/75/47/76/781754776.db2.gz TWXQZDWNFBABGF-IUCAKERBSA-N 0 3 268.317 -1.799 20 0 CAADHN CCN1CCOC[C@H]1C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001183827233 781758575 /nfs/dbraw/zinc/75/85/75/781758575.db2.gz WRQDZEQEKYLQSF-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN CC[C@H](C)C(=O)NCC(=O)NCCN[C@@H]1CCNC1=O ZINC001151365922 781759426 /nfs/dbraw/zinc/75/94/26/781759426.db2.gz FRIASAQRENUXLI-VHSXEESVSA-N 0 3 284.360 -1.257 20 0 CAADHN CC[C@H](C)C(=O)NCC(=O)NCCN[C@H]1CCNC1=O ZINC001151365921 781759532 /nfs/dbraw/zinc/75/95/32/781759532.db2.gz FRIASAQRENUXLI-UWVGGRQHSA-N 0 3 284.360 -1.257 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2CCCCC2=O)C1 ZINC001183901862 781759579 /nfs/dbraw/zinc/75/95/79/781759579.db2.gz DIBNGMYNGPOKJR-LLVKDONJSA-N 0 3 296.371 -1.065 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001183912487 781759638 /nfs/dbraw/zinc/75/96/38/781759638.db2.gz KDFJYQDGGIERHL-MRVPVSSYSA-N 0 3 266.305 -1.255 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCNCC(=O)NC(C)C ZINC001151373030 781759754 /nfs/dbraw/zinc/75/97/54/781759754.db2.gz JLJIIGFHZPBYFM-UHFFFAOYSA-N 0 3 294.377 -2.234 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001183902606 781759832 /nfs/dbraw/zinc/75/98/32/781759832.db2.gz KHFXEPKMZNEPPP-SSDOTTSWSA-N 0 3 252.278 -1.645 20 0 CAADHN CNS(=O)(=O)CC(=O)NCCN[C@H](C)C(N)=O ZINC001151379404 781761002 /nfs/dbraw/zinc/76/10/02/781761002.db2.gz BTIQPBKXNWJQKC-ZCFIWIBFSA-N 0 3 266.323 -2.885 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)CCCCNC(N)=O)C1)C(N)=O ZINC001184032289 781761019 /nfs/dbraw/zinc/76/10/19/781761019.db2.gz CRLCJALDWNYHOL-NXEZZACHSA-N 0 3 299.375 -1.111 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CS(=O)(=O)NC ZINC001151379721 781762001 /nfs/dbraw/zinc/76/20/01/781762001.db2.gz PVOVUQLVPKDWGJ-SSDOTTSWSA-N 0 3 280.350 -2.624 20 0 CAADHN CC[C@H](F)CNCCNC(=O)CS(=O)(=O)NC ZINC001151379838 781762714 /nfs/dbraw/zinc/76/27/14/781762714.db2.gz VBCZEDVATQAHTH-QMMMGPOBSA-N 0 3 269.342 -1.011 20 0 CAADHN CNC(=O)[C@@H](C)NCCNC(=O)CS(=O)(=O)C(C)C ZINC001151404953 781766124 /nfs/dbraw/zinc/76/61/24/781766124.db2.gz IXTDBUHUQVORSH-SECBINFHSA-N 0 3 293.389 -1.350 20 0 CAADHN CC[C@@H](F)CNCCNC(=O)CS(=O)(=O)NC ZINC001151379837 781763117 /nfs/dbraw/zinc/76/31/17/781763117.db2.gz VBCZEDVATQAHTH-MRVPVSSYSA-N 0 3 269.342 -1.011 20 0 CAADHN CN1CCC(CO)(NC(=O)C2(CO)COC2)CC1 ZINC001184048337 781763157 /nfs/dbraw/zinc/76/31/57/781763157.db2.gz MSMUKNPUQLRWHB-UHFFFAOYSA-N 0 3 258.318 -1.432 20 0 CAADHN C[C@@H]1NC(=O)[C@H](CCC(=O)N[C@H]2CCCN(C)C2)NC1=O ZINC001184094958 781763792 /nfs/dbraw/zinc/76/37/92/781763792.db2.gz YJGDQNAUOOQYCI-DCAQKATOSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)ccc2=O)C1 ZINC001184138484 781763892 /nfs/dbraw/zinc/76/38/92/781763892.db2.gz IIHBMPBOQDKKJT-SNVBAGLBSA-N 0 3 292.339 -1.065 20 0 CAADHN CC[C@@H](NCCNC(=O)CCN1CCCC1=O)C(N)=O ZINC001151386125 781764074 /nfs/dbraw/zinc/76/40/74/781764074.db2.gz NZCNWWJVEAHEEH-SNVBAGLBSA-N 0 3 284.360 -1.031 20 0 CAADHN CC[C@H](NCCNC(=O)CCN1CCCC1=O)C(N)=O ZINC001151386124 781764501 /nfs/dbraw/zinc/76/45/01/781764501.db2.gz NZCNWWJVEAHEEH-JTQLQIEISA-N 0 3 284.360 -1.031 20 0 CAADHN CCCS(=O)(=O)CC(=O)NCCN[C@H](CC)C(N)=O ZINC001151405177 781765398 /nfs/dbraw/zinc/76/53/98/781765398.db2.gz OMKNUCOPGGRLCI-SECBINFHSA-N 0 3 293.389 -1.219 20 0 CAADHN CC(C)S(=O)(=O)CC(=O)NCCN[C@H](C)C(N)=O ZINC001151399412 781765529 /nfs/dbraw/zinc/76/55/29/781765529.db2.gz DPMFVQWISASDLK-MRVPVSSYSA-N 0 3 279.362 -1.611 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2coc(C(N)=O)c2)C1 ZINC001184560004 781768617 /nfs/dbraw/zinc/76/86/17/781768617.db2.gz QFBULWLQVWPHBQ-SECBINFHSA-N 0 3 294.311 -1.071 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184833216 781769679 /nfs/dbraw/zinc/76/96/79/781769679.db2.gz CQBLKUFYIPJIFN-NXEZZACHSA-N 0 3 282.344 -1.599 20 0 CAADHN CNS(=O)(=O)NCC(=O)N1CC[C@@H](NCCF)C1 ZINC001184619519 781769781 /nfs/dbraw/zinc/76/97/81/781769781.db2.gz XMOOFZHCBSNLCC-MRVPVSSYSA-N 0 3 282.341 -1.800 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184833106 781769875 /nfs/dbraw/zinc/76/98/75/781769875.db2.gz AIMZNHDBCXMHBH-BDAKNGLRSA-N 0 3 268.317 -1.941 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)nc2OC)C1 ZINC001184799638 781770437 /nfs/dbraw/zinc/77/04/37/781770437.db2.gz BYFZDDROGLINSD-SECBINFHSA-N 0 3 295.343 -1.021 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)CN2CCNC(=O)C2)C1 ZINC001184814836 781770745 /nfs/dbraw/zinc/77/07/45/781770745.db2.gz FHGPREJWKVGKLG-SNVBAGLBSA-N 0 3 297.359 -2.645 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184924022 781771102 /nfs/dbraw/zinc/77/11/02/781771102.db2.gz DPUNJYJQYABAKH-MRVPVSSYSA-N 0 3 281.320 -1.898 20 0 CAADHN C[C@@H](CC(N)=O)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001184867161 781771380 /nfs/dbraw/zinc/77/13/80/781771380.db2.gz CMNVCHIARYCBNQ-JGVFFNPUSA-N 0 3 299.331 -2.117 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184858284 781771421 /nfs/dbraw/zinc/77/14/21/781771421.db2.gz KKKOQPFNBJHVKE-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184924854 781771440 /nfs/dbraw/zinc/77/14/40/781771440.db2.gz PANBKTBPXNDZJZ-SSDOTTSWSA-N 0 3 267.293 -2.240 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1)C(=O)N(C)C ZINC001184923636 781771551 /nfs/dbraw/zinc/77/15/51/781771551.db2.gz AQBKUEFVQUTWOS-RKDXNWHRSA-N 0 3 295.347 -1.509 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001184834026 781771595 /nfs/dbraw/zinc/77/15/95/781771595.db2.gz NOQJUGLQPSPIGE-SFYZADRCSA-N 0 3 297.315 -2.492 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184924132 781771657 /nfs/dbraw/zinc/77/16/57/781771657.db2.gz IZAXRPPMVZLMNV-SECBINFHSA-N 0 3 295.347 -1.461 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001184841848 781771674 /nfs/dbraw/zinc/77/16/74/781771674.db2.gz NYGPTHFUYLOPOF-RKDXNWHRSA-N 0 3 283.332 -2.054 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C)CC(N)=O)C1 ZINC001184841507 781771768 /nfs/dbraw/zinc/77/17/68/781771768.db2.gz KWCRXLYRVQCSOY-DTWKUNHWSA-N 0 3 270.333 -1.566 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCNC2=O)C1 ZINC001184834025 781771822 /nfs/dbraw/zinc/77/18/22/781771822.db2.gz NOQJUGLQPSPIGE-HTQZYQBOSA-N 0 3 297.315 -2.492 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001184840929 781772085 /nfs/dbraw/zinc/77/20/85/781772085.db2.gz GWNJAOMMABJEPQ-NXEZZACHSA-N 0 3 297.359 -1.711 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184923683 781772181 /nfs/dbraw/zinc/77/21/81/781772181.db2.gz BYCASKYTIKSQRX-SECBINFHSA-N 0 3 295.347 -1.508 20 0 CAADHN C[C@H](CC(N)=O)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001184867160 781772206 /nfs/dbraw/zinc/77/22/06/781772206.db2.gz CMNVCHIARYCBNQ-HTQZYQBOSA-N 0 3 299.331 -2.117 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184924908 781773055 /nfs/dbraw/zinc/77/30/55/781773055.db2.gz PJQDZKIUIIHRQR-JGVFFNPUSA-N 0 3 281.320 -1.851 20 0 CAADHN CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184981416 781773090 /nfs/dbraw/zinc/77/30/90/781773090.db2.gz LGRRAZMUTVYYHM-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2nnn(C)n2)C1 ZINC001184924904 781773197 /nfs/dbraw/zinc/77/31/97/781773197.db2.gz PJQDZKIUIIHRQR-HTQZYQBOSA-N 0 3 281.320 -1.851 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001184944533 781773517 /nfs/dbraw/zinc/77/35/17/781773517.db2.gz RHQFPLYSCLDHOQ-ZJUUUORDSA-N 0 3 282.344 -1.456 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001185029583 781773262 /nfs/dbraw/zinc/77/32/62/781773262.db2.gz PXLPJHDTZRPTKK-NXEZZACHSA-N 0 3 282.344 -1.599 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001185006524 781773345 /nfs/dbraw/zinc/77/33/45/781773345.db2.gz CXBIACXCFDZAQX-SVDPJWKOSA-N 0 3 267.329 -1.185 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)C1 ZINC001185077367 781774446 /nfs/dbraw/zinc/77/44/46/781774446.db2.gz BTLIZFZNMDXXMQ-YGRLFVJLSA-N 0 3 296.371 -1.161 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185206770 781775340 /nfs/dbraw/zinc/77/53/40/781775340.db2.gz AANURCARGOYNQN-SECBINFHSA-N 0 3 293.327 -1.338 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001185209645 781775487 /nfs/dbraw/zinc/77/54/87/781775487.db2.gz ZRKJDZCVGNKSKR-DTWKUNHWSA-N 0 3 293.327 -1.292 20 0 CAADHN CN1CCN(C)[C@H](C(=O)Nc2cn[nH]c2C(N)=O)C1 ZINC001185245401 781776857 /nfs/dbraw/zinc/77/68/57/781776857.db2.gz VECHIOYDYVTWRR-QMMMGPOBSA-N 0 3 266.305 -1.307 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185256513 781777457 /nfs/dbraw/zinc/77/74/57/781777457.db2.gz HPMOWYADYHBEMN-SFYZADRCSA-N 0 3 269.305 -2.396 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CNC(=O)N2)C1 ZINC001185266020 781781404 /nfs/dbraw/zinc/78/14/04/781781404.db2.gz XMGMMKPIDQQSGC-NXEZZACHSA-N 0 3 297.359 -1.616 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CNC(=O)N2)C1 ZINC001185264133 781782470 /nfs/dbraw/zinc/78/24/70/781782470.db2.gz AQXAXYSHJAAYMJ-RQJHMYQMSA-N 0 3 298.303 -2.947 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289837 781783348 /nfs/dbraw/zinc/78/33/48/781783348.db2.gz WHVLJBWMBYOMKR-SSDOTTSWSA-N 0 3 297.315 -2.363 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1 ZINC001185289027 781783381 /nfs/dbraw/zinc/78/33/81/781783381.db2.gz FCBHEAJOTMZRAH-RKDXNWHRSA-N 0 3 282.344 -1.423 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)C2(C(N)=O)CC2)C1)C(=O)N(C)C ZINC001185288944 781783964 /nfs/dbraw/zinc/78/39/64/781783964.db2.gz BCADOOWZFDRNRR-NXEZZACHSA-N 0 3 296.371 -1.081 20 0 CAADHN CS(=O)(=O)CCCN[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001185313199 781784109 /nfs/dbraw/zinc/78/41/09/781784109.db2.gz HXEUJRLBIWFVTC-MRVPVSSYSA-N 0 3 277.346 -1.903 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)CC[C@H]1C[NH2+]CC(N)=O ZINC001185326114 781785219 /nfs/dbraw/zinc/78/52/19/781785219.db2.gz DDTZDCQZNRDYIG-BDAKNGLRSA-N 0 3 280.332 -1.022 20 0 CAADHN C[C@@H]1CN(C(=O)c2nc[n-]n2)CC[C@@H]1C[NH2+]CC(N)=O ZINC001185326120 781785232 /nfs/dbraw/zinc/78/52/32/781785232.db2.gz DDTZDCQZNRDYIG-RKDXNWHRSA-N 0 3 280.332 -1.022 20 0 CAADHN CC(C)(C)CC(=O)NCC(=O)NCCNCC(N)=O ZINC001151472116 781785921 /nfs/dbraw/zinc/78/59/21/781785921.db2.gz RYDIUBSLKHYNPL-UHFFFAOYSA-N 0 3 272.349 -1.270 20 0 CAADHN COC[C@@H](OC)C(=O)N1CC[C@@H](NCC(=O)N(C)C)C1 ZINC001185540317 781786606 /nfs/dbraw/zinc/78/66/06/781786606.db2.gz YCTYKKOHCWLOQC-GHMZBOCLSA-N 0 3 287.360 -1.074 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](COC)OC)C1 ZINC001185504320 781786880 /nfs/dbraw/zinc/78/68/80/781786880.db2.gz OFUYWRWDSBVJDP-NXEZZACHSA-N 0 3 273.333 -1.416 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001185476931 781787041 /nfs/dbraw/zinc/78/70/41/781787041.db2.gz FSMVCZOWRYRBRY-RBZYPMLTSA-N 0 3 296.371 -1.020 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001185478193 781787364 /nfs/dbraw/zinc/78/73/64/781787364.db2.gz MTMGZSNHPUFNNB-RNCFNFMXSA-N 0 3 282.344 -1.408 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185684491 781788168 /nfs/dbraw/zinc/78/81/68/781788168.db2.gz PTKMOJRUVKDJBI-BBBLOLIVSA-N 0 3 282.344 -1.614 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001185684788 781788187 /nfs/dbraw/zinc/78/81/87/781788187.db2.gz QYKMHZTWUIDJOZ-OUAUKWLOSA-N 0 3 296.371 -1.176 20 0 CAADHN CC(C)NC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001185689500 781788925 /nfs/dbraw/zinc/78/89/25/781788925.db2.gz FBLMFDKMTUHXQL-MXWKQRLJSA-N 0 3 296.371 -1.177 20 0 CAADHN CC[C@H](NC(C)=O)C(=O)N1CC[C@@H](NCC(=O)NC)C1 ZINC001185806099 781789819 /nfs/dbraw/zinc/78/98/19/781789819.db2.gz HRERURMQHJOJDN-MNOVXSKESA-N 0 3 284.360 -1.162 20 0 CAADHN CN(C)S(=O)(=O)NCC(=O)N1CC[C@@H](NCCF)C1 ZINC001185977522 781791275 /nfs/dbraw/zinc/79/12/75/781791275.db2.gz SJIZTLJXTVCONH-SECBINFHSA-N 0 3 296.368 -1.458 20 0 CAADHN CC[C@@H](C(=O)NCCN[C@H]1CCNC1=O)N1CCCC1=O ZINC001151529361 781791661 /nfs/dbraw/zinc/79/16/61/781791661.db2.gz GKHGMQIZKYWWPT-QWRGUYRKSA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001185912530 781791787 /nfs/dbraw/zinc/79/17/87/781791787.db2.gz GMUJIVJOASTWNH-HTQZYQBOSA-N 0 3 292.361 -2.400 20 0 CAADHN CN(C1CN(C(=O)CN2CC[C@@H](O)C2)C1)[C@H]1CCOC1 ZINC001186044387 781793075 /nfs/dbraw/zinc/79/30/75/781793075.db2.gz GJZATBPVXCTWIT-WCQYABFASA-N 0 3 283.372 -1.016 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)COC[C@H]2CCOC2)C1 ZINC001186040039 781793897 /nfs/dbraw/zinc/79/38/97/781793897.db2.gz BOMNYRSVNCQFKV-NWDGAFQWSA-N 0 3 299.371 -1.024 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186164190 781801127 /nfs/dbraw/zinc/80/11/27/781801127.db2.gz PMSRCNOXHPUJAI-SNVBAGLBSA-N 0 3 284.360 -1.257 20 0 CAADHN CN(C)C(=O)CC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001186164460 781802458 /nfs/dbraw/zinc/80/24/58/781802458.db2.gz XYOYBHJPDIWHHU-MRVPVSSYSA-N 0 3 299.331 -2.150 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@@H](NCC(N)=O)C2)CC1 ZINC001186320814 781803471 /nfs/dbraw/zinc/80/34/71/781803471.db2.gz BYTXLEGQEYJDBA-MRVPVSSYSA-N 0 3 268.317 -1.812 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001186322410 781803676 /nfs/dbraw/zinc/80/36/76/781803676.db2.gz ZMDODFLEWWGPSM-NXEZZACHSA-N 0 3 294.355 -1.408 20 0 CAADHN CN(C)C(=O)CC(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001186170489 781804083 /nfs/dbraw/zinc/80/40/83/781804083.db2.gz ADFBGAAXWQNCOC-ZJUUUORDSA-N 0 3 282.344 -1.456 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001186259282 781804332 /nfs/dbraw/zinc/80/43/32/781804332.db2.gz JHGHPONTLWSJFA-WDEREUQCSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CC(=O)N(C)C)C1 ZINC001186185052 781804370 /nfs/dbraw/zinc/80/43/70/781804370.db2.gz SNQVYEVZPQRVKS-VHSXEESVSA-N 0 3 284.360 -1.210 20 0 CAADHN CNC(=O)C1(C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)CC1 ZINC001186320846 781804388 /nfs/dbraw/zinc/80/43/88/781804388.db2.gz CHGPTKATJJPKTE-SNVBAGLBSA-N 0 3 296.371 -1.209 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001186320993 781804451 /nfs/dbraw/zinc/80/44/51/781804451.db2.gz FHNKNESCPUIQKV-RKDXNWHRSA-N 0 3 280.332 -1.246 20 0 CAADHN CN(C)C(=O)CC(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1 ZINC001186184078 781804667 /nfs/dbraw/zinc/80/46/67/781804667.db2.gz CXFFJSIEFYEHDG-MNOVXSKESA-N 0 3 296.371 -1.114 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001186384774 781805669 /nfs/dbraw/zinc/80/56/69/781805669.db2.gz WWYGXQTYNHUPAT-SECBINFHSA-N 0 3 270.333 -1.423 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC001186466480 781806132 /nfs/dbraw/zinc/80/61/32/781806132.db2.gz XYGYJUWNWWBTQC-MRVPVSSYSA-N 0 3 292.299 -1.524 20 0 CAADHN C[C@H]([NH2+][C@@H]1CCN(C(=O)c2nc[n-]n2)C1)C(=O)NC(N)=O ZINC001186453131 781806151 /nfs/dbraw/zinc/80/61/51/781806151.db2.gz YGSDNWRZRNCQII-NKWVEPMBSA-N 0 3 295.303 -1.808 20 0 CAADHN CNC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC001186471778 781806222 /nfs/dbraw/zinc/80/62/22/781806222.db2.gz BNLGOHPWSBKIKN-SSDOTTSWSA-N 0 3 296.287 -1.671 20 0 CAADHN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001186395869 781806251 /nfs/dbraw/zinc/80/62/51/781806251.db2.gz KYHHWXHIRSVLCS-WCBMZHEXSA-N 0 3 284.360 -1.035 20 0 CAADHN C[C@@H](N[C@@H]1CCN(C(=O)c2cnon2)C1)C(=O)NC(N)=O ZINC001186486612 781806381 /nfs/dbraw/zinc/80/63/81/781806381.db2.gz CAUDYTABZQJVQV-RNFRBKRXSA-N 0 3 296.287 -1.543 20 0 CAADHN NC(=O)NC(=O)CN[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001186444983 781806521 /nfs/dbraw/zinc/80/65/21/781806521.db2.gz PMLMVSQYXQZMAY-ZCFIWIBFSA-N 0 3 281.276 -2.196 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001186583358 781807156 /nfs/dbraw/zinc/80/71/56/781807156.db2.gz DVYZPIFTCOQWGK-SECBINFHSA-N 0 3 293.327 -1.336 20 0 CAADHN C[C@]1(C(=O)N2CC[C@@H](NCC(=O)NC(N)=O)C2)CCOC1 ZINC001186583444 781807966 /nfs/dbraw/zinc/80/79/66/781807966.db2.gz GZJJTOLYKCEBJB-RNCFNFMXSA-N 0 3 298.343 -1.202 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1)C(N)=O ZINC001186665465 781810251 /nfs/dbraw/zinc/81/02/51/781810251.db2.gz ISKCRYSJHISKPL-GHMZBOCLSA-N 0 3 296.371 -1.033 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)C(=O)NCC2CC2)C1)C(N)=O ZINC001186665466 781810511 /nfs/dbraw/zinc/81/05/11/781810511.db2.gz ISKCRYSJHISKPL-MNOVXSKESA-N 0 3 296.371 -1.033 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001186705861 781811297 /nfs/dbraw/zinc/81/12/97/781811297.db2.gz RDMRPXGQWUYVOM-WDEREUQCSA-N 0 3 255.318 -1.353 20 0 CAADHN Cc1cnoc1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001186755297 781811752 /nfs/dbraw/zinc/81/17/52/781811752.db2.gz ZIWDZFICDRIDJG-MRVPVSSYSA-N 0 3 295.299 -1.018 20 0 CAADHN CC(=O)NCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001186697439 781811879 /nfs/dbraw/zinc/81/18/79/781811879.db2.gz KGUPRPZJTULDTP-QWHCGFSZSA-N 0 3 299.371 -1.336 20 0 CAADHN Cn1ncnc1COCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001186718571 781811906 /nfs/dbraw/zinc/81/19/06/781811906.db2.gz YWQKLHXWCASCES-SECBINFHSA-N 0 3 296.331 -1.993 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CCCn2cncn2)C1 ZINC001186852975 781813533 /nfs/dbraw/zinc/81/35/33/781813533.db2.gz LJZHXMIBDONGEI-SNVBAGLBSA-N 0 3 280.332 -1.266 20 0 CAADHN CN(C)C(=O)CCCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187167076 781815710 /nfs/dbraw/zinc/81/57/10/781815710.db2.gz TYIXJNAFJZDYJD-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220751 781815900 /nfs/dbraw/zinc/81/59/00/781815900.db2.gz LUPIWJSQVFBNBF-BDAKNGLRSA-N 0 3 268.317 -1.799 20 0 CAADHN CCCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187220983 781816245 /nfs/dbraw/zinc/81/62/45/781816245.db2.gz RKFGGBMLOUDTPK-MNOVXSKESA-N 0 3 296.371 -1.018 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N2)C1)C(=O)N(C)C ZINC001187220918 781816998 /nfs/dbraw/zinc/81/69/98/781816998.db2.gz PLLDNCNFCZLPGF-AXFHLTTASA-N 0 3 296.371 -1.068 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCN(C(C)=O)C2)C1 ZINC001187467218 781821244 /nfs/dbraw/zinc/82/12/44/781821244.db2.gz LCXPNMOLHCVXGP-NWDGAFQWSA-N 0 3 296.371 -1.209 20 0 CAADHN CCC[C@@H](NC(N)=O)C(=O)N1CC[C@@H](N[C@@H](C)C(N)=O)C1 ZINC001187427789 781821535 /nfs/dbraw/zinc/82/15/35/781821535.db2.gz CTQMPCOFQVSCSJ-IVZWLZJFSA-N 0 3 299.375 -1.112 20 0 CAADHN O=C(CNC(=O)[C@@H]1CCC(=O)N1)N1CCN2CCC1CC2 ZINC001187517585 781822074 /nfs/dbraw/zinc/82/20/74/781822074.db2.gz PJYFIWWIHQKWNV-NSHDSACASA-N 0 3 294.355 -1.312 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001187490573 781822600 /nfs/dbraw/zinc/82/26/00/781822600.db2.gz BBFZQIDMZZKQHE-MNOVXSKESA-N 0 3 296.371 -1.066 20 0 CAADHN CN(C)S(=O)(=O)CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187516264 781822624 /nfs/dbraw/zinc/82/26/24/781822624.db2.gz PZFSOTVMISZEJW-MRVPVSSYSA-N 0 3 292.361 -2.446 20 0 CAADHN CN1CCC[C@H](NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187524880 781825281 /nfs/dbraw/zinc/82/52/81/781825281.db2.gz ZSODDFWHGYWXEF-UWVGGRQHSA-N 0 3 282.344 -1.408 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)Cn2cncn2)C1)C(=O)N(C)C ZINC001187655764 781825310 /nfs/dbraw/zinc/82/53/10/781825310.db2.gz ILSGAUWXBZUSNX-WDEREUQCSA-N 0 3 294.359 -1.055 20 0 CAADHN CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187656713 781825531 /nfs/dbraw/zinc/82/55/31/781825531.db2.gz WYRFXGMUYXZEQS-NXEZZACHSA-N 0 3 280.332 -1.397 20 0 CAADHN CN1CCC[C@@](C)(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001187526442 781825782 /nfs/dbraw/zinc/82/57/82/781825782.db2.gz SSHDOWGQYNQNPR-IINYFYTJSA-N 0 3 296.371 -1.018 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)CNC(=O)c2ccco2)C1 ZINC001187594708 781825834 /nfs/dbraw/zinc/82/58/34/781825834.db2.gz AMHDCZYTZXEMHB-SECBINFHSA-N 0 3 294.311 -1.315 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)Cn2cncn2)C1 ZINC001187656468 781826385 /nfs/dbraw/zinc/82/63/85/781826385.db2.gz QRJNAAZMCASXQH-SNVBAGLBSA-N 0 3 280.332 -1.443 20 0 CAADHN CN1CC[C@H](N[C@@H]2CCN(C(=O)CCNC(N)=O)C2)C1=O ZINC001187691612 781826796 /nfs/dbraw/zinc/82/67/96/781826796.db2.gz DGXSBVPASJLIOU-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@H]1CC[C@H]1C(N)=O ZINC001273545515 781826973 /nfs/dbraw/zinc/82/69/73/781826973.db2.gz AKEAOMHPYJVMQY-ZJUUUORDSA-N 0 3 284.360 -1.318 20 0 CAADHN NC(=O)NCCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001187698405 781827005 /nfs/dbraw/zinc/82/70/05/781827005.db2.gz CYVZYTKBGBQWCP-ZJUUUORDSA-N 0 3 297.359 -1.486 20 0 CAADHN CCN(C)C(=O)CN[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187698604 781827136 /nfs/dbraw/zinc/82/71/36/781827136.db2.gz IIUCMMMKFSHTMI-SNVBAGLBSA-N 0 3 299.375 -1.286 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001273545513 781827274 /nfs/dbraw/zinc/82/72/74/781827274.db2.gz AKEAOMHPYJVMQY-UWVGGRQHSA-N 0 3 284.360 -1.318 20 0 CAADHN CNC(=O)CC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001187675761 781827470 /nfs/dbraw/zinc/82/74/70/781827470.db2.gz XMJHQIDDDGGDBQ-VHSXEESVSA-N 0 3 255.318 -1.353 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)CCNC(N)=O)C1)C(N)=O ZINC001187692191 781827734 /nfs/dbraw/zinc/82/77/34/781827734.db2.gz PIHKDAAIHDNICP-JGVFFNPUSA-N 0 3 271.321 -1.891 20 0 CAADHN CCNC(=O)CNCCN(CC)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001273545546 781827847 /nfs/dbraw/zinc/82/78/47/781827847.db2.gz AYMFMRZVMDKVEL-JTQLQIEISA-N 0 3 299.375 -1.416 20 0 CAADHN CN1CC[C@@H](N[C@@H]2CCN(C(=O)CCNC(N)=O)C2)C1=O ZINC001187691611 781828397 /nfs/dbraw/zinc/82/83/97/781828397.db2.gz DGXSBVPASJLIOU-NXEZZACHSA-N 0 3 297.359 -1.534 20 0 CAADHN CC[C@@H](N[C@@H]1CCN(C(=O)CCNC(N)=O)C1)C(N)=O ZINC001187703820 781828770 /nfs/dbraw/zinc/82/87/70/781828770.db2.gz IKUXLYMUKSUZHY-RKDXNWHRSA-N 0 3 285.348 -1.501 20 0 CAADHN CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)CCNC(N)=O)C1 ZINC001187704704 781828979 /nfs/dbraw/zinc/82/89/79/781828979.db2.gz VSZSTPOOVDMCIX-DTWKUNHWSA-N 0 3 285.348 -1.630 20 0 CAADHN CC[C@H](N[C@@H]1CCN(C(=O)CCNC(N)=O)C1)C(N)=O ZINC001187703819 781829599 /nfs/dbraw/zinc/82/95/99/781829599.db2.gz IKUXLYMUKSUZHY-BDAKNGLRSA-N 0 3 285.348 -1.501 20 0 CAADHN CCN(CCN[C@@H](C)C(N)=O)C(=O)[C@H]1CCNC1=O ZINC001273547315 781829645 /nfs/dbraw/zinc/82/96/45/781829645.db2.gz ZBHRDAAAFAFGOX-IUCAKERBSA-N 0 3 270.333 -1.566 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@H]1CCNC1=O ZINC001273546610 781829703 /nfs/dbraw/zinc/82/97/03/781829703.db2.gz PSUPLIGHZCZOMH-VHSXEESVSA-N 0 3 282.344 -1.551 20 0 CAADHN CNS(=O)(=O)CC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001187902886 781830947 /nfs/dbraw/zinc/83/09/47/781830947.db2.gz YQEIQQAPBWHQGC-SSDOTTSWSA-N 0 3 278.334 -2.789 20 0 CAADHN N[C@@H]1NCN(C(=O)c2[nH]ncc2Cl)[C@H]2NCN[C@@H]21 ZINC001187852580 781831100 /nfs/dbraw/zinc/83/11/00/781831100.db2.gz ZLKYRIOBQVCSMC-BWZBUEFSSA-N 0 3 271.712 -1.804 20 0 CAADHN CCN1CCO[C@H](C(=O)N2CC[C@@H](NCC(=O)NC)C2)C1 ZINC001187982975 781832768 /nfs/dbraw/zinc/83/27/68/781832768.db2.gz VFOUCIXTGYEOCP-NEPJUHHUSA-N 0 3 298.387 -1.356 20 0 CAADHN COCC(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001187996118 781833242 /nfs/dbraw/zinc/83/32/42/781833242.db2.gz APDNLZQGTNINET-GRYCIOLGSA-N 0 3 299.371 -1.338 20 0 CAADHN CNC(=O)NCC(=O)N1CC[C@H]2CN(CCO)C[C@H]21 ZINC001188152182 781835376 /nfs/dbraw/zinc/83/53/76/781835376.db2.gz SFHIAJPMOABBSS-VHSXEESVSA-N 0 3 270.333 -1.560 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001188158004 781835518 /nfs/dbraw/zinc/83/55/18/781835518.db2.gz CHEFPJASACQJLT-WDEREUQCSA-N 0 3 296.371 -1.209 20 0 CAADHN C[C@H](N[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1)C(=O)NC(N)=O ZINC001188150999 781835621 /nfs/dbraw/zinc/83/56/21/781835621.db2.gz QYPHEHPWBCWKRJ-IVZWLZJFSA-N 0 3 298.343 -1.061 20 0 CAADHN CCOCCOCC(=O)N1CC[C@@H](NCC(N)=O)C1 ZINC001188180047 781836171 /nfs/dbraw/zinc/83/61/71/781836171.db2.gz QJXNDPZDLCYTQR-SNVBAGLBSA-N 0 3 273.333 -1.285 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001188217567 781836387 /nfs/dbraw/zinc/83/63/87/781836387.db2.gz IGRGTLOCSLPKNC-VXGBXAGGSA-N 0 3 296.371 -1.066 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2cn(C)c(=O)n2C)C1 ZINC001188196864 781836403 /nfs/dbraw/zinc/83/64/03/781836403.db2.gz VHPODYVUIDJZCE-SECBINFHSA-N 0 3 295.343 -1.726 20 0 CAADHN CN(C)C(=O)CN[C@@H]1CCN(C(=O)CCCC(N)=O)C1 ZINC001188390496 781836964 /nfs/dbraw/zinc/83/69/64/781836964.db2.gz KSXBYWZTEZOJPR-SNVBAGLBSA-N 0 3 284.360 -1.079 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)c2nonc2C)C1 ZINC001188397280 781837535 /nfs/dbraw/zinc/83/75/35/781837535.db2.gz FRBMXHMCXBFQJK-MRVPVSSYSA-N 0 3 267.289 -1.072 20 0 CAADHN NC(=O)CCCC(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001188390090 781837762 /nfs/dbraw/zinc/83/77/62/781837762.db2.gz AFMOTDVPIIRDEB-NXEZZACHSA-N 0 3 282.344 -1.279 20 0 CAADHN NC(=O)CN[C@@H]1CCN(C(=O)COC[C@H]2CCCO2)C1 ZINC001188438747 781839487 /nfs/dbraw/zinc/83/94/87/781839487.db2.gz VBFTULLQUUOKJZ-GHMZBOCLSA-N 0 3 285.344 -1.142 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001188405045 781839978 /nfs/dbraw/zinc/83/99/78/781839978.db2.gz AVCRXXRWDUKZER-ZJUUUORDSA-N 0 3 297.359 -1.534 20 0 CAADHN CNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C)N2CCOCC2)C1 ZINC001188475199 781840002 /nfs/dbraw/zinc/84/00/02/781840002.db2.gz MNCDNSZTBGLGSP-NWDGAFQWSA-N 0 3 298.387 -1.356 20 0 CAADHN CCN(CCN[C@H]1CCNC1=O)C(=O)[C@@H]1CCN(C)C1=O ZINC001273562150 781840022 /nfs/dbraw/zinc/84/00/22/781840022.db2.gz LGPHKMGNQZSNHO-MNOVXSKESA-N 0 3 296.371 -1.209 20 0 CAADHN Cc1nc[nH]c1C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001188467355 781840138 /nfs/dbraw/zinc/84/01/38/781840138.db2.gz TZTNMBLKTATVGJ-MRVPVSSYSA-N 0 3 294.315 -1.283 20 0 CAADHN CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1CCN(C)C1=O ZINC001273562149 781841084 /nfs/dbraw/zinc/84/10/84/781841084.db2.gz LGPHKMGNQZSNHO-GHMZBOCLSA-N 0 3 296.371 -1.209 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001273568830 781844717 /nfs/dbraw/zinc/84/47/17/781844717.db2.gz CLBWPQCXFYPMBR-ZDUSSCGKSA-N 0 3 284.360 -1.174 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811255 781845525 /nfs/dbraw/zinc/84/55/25/781845525.db2.gz AMXXLOOHZZPHCO-JTQLQIEISA-N 0 3 288.348 -1.804 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001273568829 781846922 /nfs/dbraw/zinc/84/69/22/781846922.db2.gz CLBWPQCXFYPMBR-CYBMUJFWSA-N 0 3 284.360 -1.174 20 0 CAADHN COCCN(C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188811989 781847914 /nfs/dbraw/zinc/84/79/14/781847914.db2.gz HNXWDTYQCBOXIX-SECBINFHSA-N 0 3 258.322 -1.166 20 0 CAADHN CCN1CCO[C@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001151749382 781851750 /nfs/dbraw/zinc/85/17/50/781851750.db2.gz WQCBFHJXODGVPL-LBPRGKRZSA-N 0 3 298.387 -1.355 20 0 CAADHN CCNC(=O)CNCCNC(=O)[C@H]1CN(CC)CCO1 ZINC001151748757 781852099 /nfs/dbraw/zinc/85/20/99/781852099.db2.gz KIHXHRRHYSIDIW-LLVKDONJSA-N 0 3 286.376 -1.451 20 0 CAADHN CN1CCC[C@H](NC(=O)c2cc(=O)n(C)c(=O)n2C)C1 ZINC001189437307 781858137 /nfs/dbraw/zinc/85/81/37/781858137.db2.gz OOJKPTIKMKHYRW-VIFPVBQESA-N 0 3 280.328 -1.092 20 0 CAADHN COC[C@@H](O)CN1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001189462217 781859386 /nfs/dbraw/zinc/85/93/86/781859386.db2.gz JLHUHBQYMCFIMD-GARJFASQSA-N 0 3 295.343 -1.042 20 0 CAADHN CCCC[C@@H](NCCN(CC)C(=O)C(N)=O)C(N)=O ZINC001273582581 781859980 /nfs/dbraw/zinc/85/99/80/781859980.db2.gz YPZLTTRIYDIYGZ-SECBINFHSA-N 0 3 272.349 -1.046 20 0 CAADHN CN1CCC(CO)(NC(=O)c2ccc(=O)n(C)n2)CC1 ZINC001189501322 781860797 /nfs/dbraw/zinc/86/07/97/781860797.db2.gz DCQUKRPNQOITQE-UHFFFAOYSA-N 0 3 280.328 -1.033 20 0 CAADHN CCCC[C@H](NCCN(CC)C(=O)C(N)=O)C(N)=O ZINC001273582584 781861569 /nfs/dbraw/zinc/86/15/69/781861569.db2.gz YPZLTTRIYDIYGZ-VIFPVBQESA-N 0 3 272.349 -1.046 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC001189933561 781868171 /nfs/dbraw/zinc/86/81/71/781868171.db2.gz LBYNDJXTSHURBH-LLVKDONJSA-N 0 3 297.359 -1.030 20 0 CAADHN CN(CCOCCO)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190187568 781869994 /nfs/dbraw/zinc/86/99/94/781869994.db2.gz PHBVVMUSKLHXOQ-NSHDSACASA-N 0 3 298.347 -1.785 20 0 CAADHN CCN(CCNCC(=O)NC)C(=O)[C@]1(C)CCNC1=O ZINC001273605276 781879875 /nfs/dbraw/zinc/87/98/75/781879875.db2.gz SUPIWFYAMOWMBA-CYBMUJFWSA-N 0 3 284.360 -1.303 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190709635 781882619 /nfs/dbraw/zinc/88/26/19/781882619.db2.gz VCMKZNHYAJPLNW-GHMZBOCLSA-N 0 3 273.333 -1.680 20 0 CAADHN COCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001190646213 781883516 /nfs/dbraw/zinc/88/35/16/781883516.db2.gz ZUKFNOJAUDNNTO-HBNTYKKESA-N 0 3 258.318 -1.169 20 0 CAADHN CC(=O)NCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001190725560 781886343 /nfs/dbraw/zinc/88/63/43/781886343.db2.gz VWEKGVYEZYFWLZ-QJPTWQEYSA-N 0 3 285.344 -1.680 20 0 CAADHN COCCCCN1C[C@@H](O)[C@H](NC(=O)CNC(C)=O)C1 ZINC001190723261 781886829 /nfs/dbraw/zinc/88/68/29/781886829.db2.gz DWJUDZPONAGEGT-VXGBXAGGSA-N 0 3 287.360 -1.290 20 0 CAADHN CCN(CCNCC(=O)NC1CC1)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001273611015 781892830 /nfs/dbraw/zinc/89/28/30/781892830.db2.gz SRNBAJHGZZXQPG-MNOVXSKESA-N 0 3 296.371 -1.176 20 0 CAADHN COCCCN1C[C@@H](O)[C@H](NC(=O)Cn2cnnn2)C1 ZINC001190904760 781894160 /nfs/dbraw/zinc/89/41/60/781894160.db2.gz MXOIGOKJMDBAJE-NXEZZACHSA-N 0 3 284.320 -2.129 20 0 CAADHN CCN(CCNCC(N)=O)C(=O)CCc1cnn(C)n1 ZINC001273611062 781894235 /nfs/dbraw/zinc/89/42/35/781894235.db2.gz UARGAVIATQRMFZ-UHFFFAOYSA-N 0 3 282.348 -1.329 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001190977151 781894990 /nfs/dbraw/zinc/89/49/90/781894990.db2.gz FOXCHYRAKVYSTN-OPRDCNLKSA-N 0 3 286.332 -2.148 20 0 CAADHN CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CNC(N)=O)C1)OC ZINC001190977964 781895366 /nfs/dbraw/zinc/89/53/66/781895366.db2.gz PPSKYAPTQKRSJO-IVZWLZJFSA-N 0 3 288.348 -1.759 20 0 CAADHN NC(=O)NCC(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001190977149 781896150 /nfs/dbraw/zinc/89/61/50/781896150.db2.gz FOXCHYRAKVYSTN-IVZWLZJFSA-N 0 3 286.332 -2.148 20 0 CAADHN CN(CCO)[C@@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191092351 781898979 /nfs/dbraw/zinc/89/89/79/781898979.db2.gz WJSVWXNGUZSHNS-MRVPVSSYSA-N 0 3 279.287 -1.107 20 0 CAADHN CN(CCO)[C@H]1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191092358 781899551 /nfs/dbraw/zinc/89/95/51/781899551.db2.gz WJSVWXNGUZSHNS-QMMMGPOBSA-N 0 3 279.287 -1.107 20 0 CAADHN CC(=O)N(C)CC(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001191193788 781901177 /nfs/dbraw/zinc/90/11/77/781901177.db2.gz AEHBKJVEWMXVPB-JHJVBQTASA-N 0 3 299.371 -1.338 20 0 CAADHN CCCN1C[C@@H](O)[C@H](NC(=O)CNC(=O)OC)C1 ZINC001191355180 781905741 /nfs/dbraw/zinc/90/57/41/781905741.db2.gz DDPRAIQGSCAHMW-RKDXNWHRSA-N 0 3 259.306 -1.086 20 0 CAADHN CN(CCOCCO)[C@@H]1CCN(C(=O)[C@H]2CCNC2=O)C1 ZINC001191720215 781917095 /nfs/dbraw/zinc/91/70/95/781917095.db2.gz QSFXEPXSGURDRR-NEPJUHHUSA-N 0 3 299.371 -1.336 20 0 CAADHN